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 13 physical rank 6 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 8 physical rank 1 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 0 physical rank 0 will use CUDA device of pe 4 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 1 physical rank 1 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 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 0.0315252 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.2656 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.4.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_membrane_0925/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE MD.3.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 99.6522 0 0 Info: PERIODIC CELL BASIS 2 0 97.8888 0 Info: PERIODIC CELL BASIS 3 0 0 77.5493 Info: PERIODIC CELL CENTER -0.380358 -0.725538 1.44908 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE MD.3.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.4.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.4.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.4 Info: RESTART FILENAME MD.4.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.99 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 17.49 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS 8.90044e-07 8.90044e-07 4.07366e-05 Info: CELL FLUCTUATION IS ANISOTROPIC Info: SHAPE OF CELL IS CONSTRAINED IN X-Y PLANE Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 108 108 80 Info: PME MAXIMUM GRID SPACING 1 Info: Attempting to read FFTW data from system Info: Attempting to read FFTW data from FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 2 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1474905251 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_membrane_QwikMD.pdb Info: STRUCTURE FILE 1qhj_membrane_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES MD.3.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 10.4844 Info: Reading pdb file 1qhj_membrane_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.285301 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 80594 ATOMS Info: 65063 BONDS Info: 81337 ANGLES Info: 92351 DIHEDRALS Info: 987 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 66657 RIGID BONDS Info: 175125 DEGREES OF FREEDOM Info: 29198 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 29198 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 479053 amu Info: TOTAL CHARGE = 1.41375e-05 e Info: MASS DENSITY = 1.05159 g/cm^3 Info: ATOM DENSITY = 0.106538 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.3.restart.coor Info: Info: Entering startup at 11.5657 s, 152.723 MB of memory in use Info: Startup phase 0 took 0.000333467 s, 152.75 MB of memory in use Info: ADDED 238567 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.190132 s, 174.762 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 0.0101867 s, 179.273 MB of memory in use Info: Startup phase 3 took 0.000224967 s, 179.438 MB of memory in use Info: Startup phase 4 took 0.00169427 s, 183.195 MB of memory in use Info: Startup phase 5 took 0.000215434 s, 183.246 MB of memory in use Info: PATCH GRID IS 11 (PERIODIC) BY 5 (PERIODIC) BY 4 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.3.restart.vel Info: REMOVING COM VELOCITY -0.00848955 -0.0191835 0.0348177 Info: LARGEST PATCH (119) HAS 442 ATOMS Info: TORUS A SIZE 24 USING 3 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 18 19 20 21 22 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 5 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0634791 s, 197.812 MB of memory in use Info: PME using 54 and 54 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 5 8 10 12 17 19 22 24 26 ... Info: PME TRANS LOCATIONS: 1 2 6 9 13 15 16 20 23 25 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.27465 s, 198.992 MB of memory in use Info: Startup phase 8 took 0.0038909 s, 197.297 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00245027 s, 197.297 MB of memory in use Info: CREATING 7574 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 347 unique exclusion lists needing 1248 bytes Pe 4 hosts 0 local and 6 remote patches for pe 4 Pe 1 hosts 0 local and 8 remote patches for pe 4 Pe 3 hosts 0 local and 5 remote patches for pe 4 Pe 6 hosts 0 local and 7 remote patches for pe 4 Pe 2 hosts 0 local and 7 remote patches for pe 4 Pe 5 hosts 0 local and 10 remote patches for pe 4 Pe 0 hosts 0 local and 5 remote patches for pe 4 Pe 7 hosts 0 local and 7 remote patches for pe 7 Pe 9 hosts 0 local and 8 remote patches for pe 7 Pe 8 hosts 0 local and 9 remote patches for pe 7 Pe 10 hosts 0 local and 6 remote patches for pe 7 Pe 13 hosts 0 local and 8 remote patches for pe 7 Pe 11 hosts 0 local and 7 remote patches for pe 7 Pe 12 hosts 0 local and 6 remote patches for pe 7 Info: Startup phase 10 took 0.0528629 s, 201.941 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 0.00042232 s, 202.062 MB of memory in use Info: Startup phase 12 took 0.000117633 s, 202.066 MB of memory in use Info: Finished startup at 12.1664 s, 202.07 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 48 remote patches and 0 local and 207 remote computes. Pe 7 has 0 local and 51 remote patches and 0 local and 253 remote computes. PRESSURE: 0 349.993 137.526 -210.433 137.526 242.647 -89.6043 -210.432 -89.6039 143.465 GPRESSURE: 0 284.965 69.8177 -231.679 36.6381 346.708 -21.7832 -236.099 -203.943 182.761 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 3955.2314 20568.1639 14417.5812 256.9600 -204046.3380 2892.6448 0.0000 0.0000 52105.5045 -109850.2521 299.4511 -161955.7566 -109485.9008 299.4511 245.3686 271.4783 756481.3950 245.3686 271.4783 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 12.2627 LDB: ============== END OF LOAD BALANCING =============== 12.263 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.2647 LDB: ============= START OF LOAD BALANCING ============== 12.5656 LDB: Largest compute 7033 load 0.028513 is 18.7% of average load 0.152438 LDB: Average compute 0.003474 is 2.3% of average load 0.152438 LDB: Partitioning computes with target load 0.015244 LDB: Increased migratable compute count from 1320 to 1320 LDB: Largest unpartitionable compute is 0.028513 LDB: ============== END OF LOAD BALANCING =============== 12.5703 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.5751 Info: Initial time: 140 CPUs 0.00382096 s/step 0.022112 days/ns 218.586 MB memory LDB: ============= START OF LOAD BALANCING ============== 12.6419 LDB: ============== END OF LOAD BALANCING =============== 12.642 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6438 LDB: ============= START OF LOAD BALANCING ============== 12.9091 LDB: Largest compute 7033 load 0.028031 is 18.4% of average load 0.152419 LDB: Average compute 0.003457 is 2.3% of average load 0.152419 LDB: TIME 12.9124 LOAD: AVG 0.152419 MAX 0.251824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 217.988 MB LDB: TIME 12.914 LOAD: AVG 0.152419 MAX 0.159905 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 TorusLB MEM: 218.062 MB LDB: ============== END OF LOAD BALANCING =============== 12.9175 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.9229 PRESSURE: 200 -359.882 -22.8428 -82.141 -22.8429 -261.645 -242.933 -82.1421 -242.933 259.76 GPRESSURE: 200 -206.687 -141.455 -172.508 -33.1691 -211.59 -257.201 -92.3681 -81.0809 135.971 PRESSAVG: 200 -1.01365 -22.0989 1.81245 -22.0989 -22.9989 0.894185 1.81248 0.894195 -18.7502 GPRESSAVG: 200 -1.31238 -22.1539 2.59547 -17.9158 -22.507 0.843673 2.18107 2.64849 -19.276 Info: Initial time: 140 CPUs 0.00331125 s/step 0.0191623 days/ns 218.41 MB memory TIMING: 200 CPU: 0.816861, 0.00370317/step Wall: 0.81686, 0.00370317/step, 5.14308 hours remaining, 218.410156 MB of memory in use. ENERGY: 200 4041.5526 20491.2251 14446.2653 249.3071 -203499.9911 2582.5712 0.0000 0.0000 51968.4731 -109720.5966 298.6635 -161689.0697 -109358.0011 298.6209 -120.5889 -94.1017 760196.1897 -14.2542 -14.3651 LDB: ============= START OF LOAD BALANCING ============== 13.2391 LDB: Largest compute 7047 load 0.034980 is 18.1% of average load 0.193066 LDB: Average compute 0.004378 is 2.3% of average load 0.193066 LDB: TIME 13.2423 LOAD: AVG 0.193066 MAX 0.203232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 218.41 MB LDB: TIME 13.2427 LOAD: AVG 0.193066 MAX 0.203232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 218.418 MB LDB: TIME 13.2428 LOAD: AVG 0.193066 MAX 0.203232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 218.418 MB LDB: ============== END OF LOAD BALANCING =============== 13.2447 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.2495 Info: Initial time: 140 CPUs 0.00315913 s/step 0.018282 days/ns 219.078 MB memory LDB: ============= START OF LOAD BALANCING ============== 13.566 LDB: Largest compute 7047 load 0.034767 is 18.0% of average load 0.192900 LDB: Average compute 0.004356 is 2.3% of average load 0.192900 LDB: TIME 13.5693 LOAD: AVG 0.1929 MAX 0.206095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 219.09 MB LDB: TIME 13.5697 LOAD: AVG 0.1929 MAX 0.206095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.09 MB LDB: TIME 13.5698 LOAD: AVG 0.1929 MAX 0.206095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.09 MB LDB: ============== END OF LOAD BALANCING =============== 13.5717 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.5764 PRESSURE: 400 77.6823 -92.6984 98.1857 -92.6979 -10.1131 -3.17151 98.1862 -3.17027 146.046 GPRESSURE: 400 120.374 -47.2511 78.4054 -47.992 -0.433943 -81.7842 214.717 71.1788 183.203 PRESSAVG: 400 -26.2652 -6.48756 56.9237 -6.48763 68.6475 -26.1182 56.9237 -26.1182 1.6649 GPRESSAVG: 400 -25.9513 -6.83769 55.5977 -6.82915 67.7198 -24.7891 57.1439 -27.9552 2.59155 Info: Benchmark time: 140 CPUs 0.00316265 s/step 0.0183024 days/ns 220.227 MB memory TIMING: 400 CPU: 1.47014, 0.00326639/step Wall: 1.47014, 0.00326639/step, 4.53629 hours remaining, 220.226562 MB of memory in use. ENERGY: 400 4004.6290 20440.8481 14433.8017 245.8740 -203284.7218 2246.2635 0.0000 0.0000 51994.8936 -109918.4120 298.8154 -161913.3055 -109560.9207 298.6292 71.2050 101.0476 759470.9194 14.6824 14.7867 Info: Benchmark time: 140 CPUs 0.003178 s/step 0.0183912 days/ns 220.227 MB memory PRESSURE: 600 166.385 -125.69 -124.98 -125.69 101.315 54.3629 -124.98 54.363 -246.198 GPRESSURE: 600 106.339 -136.905 -101.301 -104.691 202.07 48.3885 -211.344 15.3644 -208.882 PRESSAVG: 600 -78.99 -17.5813 21.6925 -17.5814 72.3479 -28.3922 21.6925 -28.3922 -17.8161 GPRESSAVG: 600 -78.5086 -17.5691 22.167 -17.125 72.4952 -30.3101 21.6411 -28.2556 -18.333 Info: Benchmark time: 140 CPUs 0.00317992 s/step 0.0184023 days/ns 220.227 MB memory TIMING: 600 CPU: 2.10616, 0.00318009/step Wall: 2.10616, 0.00318009/step, 4.41626 hours remaining, 220.226562 MB of memory in use. ENERGY: 600 4089.2616 20609.7300 14437.0043 275.5620 -203855.2307 2696.0193 0.0000 0.0000 51745.5584 -110002.0952 297.3824 -161747.6536 -109647.8876 298.2707 7.1672 33.1759 759425.0507 -8.1527 -8.1155 Info: Benchmark time: 140 CPUs 0.00318299 s/step 0.0184201 days/ns 220.227 MB memory PRESSURE: 800 -4.17667 -239.413 32.8719 -239.414 -73.582 6.83503 32.8715 6.8346 -32.3754 GPRESSURE: 800 7.45687 -263.641 26.3136 -163.587 -12.2713 51.4811 -0.588412 22.4815 -7.51606 PRESSAVG: 800 -62.3517 -0.283504 13.1042 -0.283581 18.2642 24.7772 13.1042 24.7772 -3.00153 GPRESSAVG: 800 -62.3752 -2.17439 13.4755 0.737104 17.738 25.7819 13.3132 25.6447 -2.85241 Info: Benchmark time: 140 CPUs 0.00316059 s/step 0.0182905 days/ns 220.227 MB memory TIMING: 800 CPU: 2.74073, 0.00317289/step Wall: 2.74073, 0.00317289/step, 4.40609 hours remaining, 220.226562 MB of memory in use. ENERGY: 800 3957.2102 20557.2817 14424.4099 252.3379 -203135.5993 2219.1488 0.0000 0.0000 51907.3955 -109817.8153 298.3125 -161725.2108 -109455.5547 298.4399 -36.7114 -4.1102 759218.1281 -15.6964 -15.8299 Info: Benchmark time: 140 CPUs 0.00318048 s/step 0.0184056 days/ns 220.227 MB memory PRESSURE: 1000 -8.37644 133.104 101.968 133.104 -132.06 225.108 101.968 225.108 32.8183 GPRESSURE: 1000 78.0508 76.7415 67.4467 52.3972 -104.15 126.922 181.193 245.711 11.5747 PRESSAVG: 1000 31.5348 15.4293 -3.19702 15.4293 -28.5848 10.2748 -3.197 10.2748 1.46795 GPRESSAVG: 1000 32.2433 17.0244 -2.32622 16.8119 -29.0744 9.57437 -1.75183 10.7985 1.59409 TIMING: 1000 CPU: 3.37866, 0.00318962/step Wall: 3.37866, 0.00318962/step, 4.42914 hours remaining, 220.226562 MB of memory in use. ENERGY: 1000 3935.8399 20500.5863 14411.9940 245.1147 -203893.0036 2808.7076 0.0000 0.0000 52044.6485 -109946.1126 299.1013 -161990.7611 -109577.7265 298.3217 -35.8727 -4.8415 759575.6719 1.4726 1.5876 PRESSURE: 1200 -93.7784 -59.8417 77.3286 -59.8423 -118.725 137.413 77.3288 137.412 -66.8616 GPRESSURE: 1200 -72.2167 83.4166 108.588 -71.3789 -123.186 153.613 102.931 2.17994 5.39607 PRESSAVG: 1200 21.4227 -45.3534 32.2946 -45.3534 -52.2122 3.2742 32.2947 3.27416 -5.98688 GPRESSAVG: 1200 20.984 -43.5194 32.7809 -46.6041 -51.7425 3.64476 29.7433 1.67286 -6.20181 TIMING: 1200 CPU: 4.01794, 0.00319641/step Wall: 4.01794, 0.00319641/step, 4.4384 hours remaining, 220.226562 MB of memory in use. ENERGY: 1200 3960.2512 20471.4671 14400.4319 224.3031 -203330.1487 2460.1561 0.0000 0.0000 51960.0772 -109853.4621 298.6153 -161813.5394 -109491.8177 298.4319 -93.1217 -63.3356 759931.6298 -12.2588 -12.3201 PRESSURE: 1400 -103.653 -124.091 8.81006 -124.091 -174.134 -30.7526 8.80934 -30.7533 148.934 GPRESSURE: 1400 -56.0912 -178.379 21.5985 -110.913 -170.247 -55.2902 110.875 63.5628 168.467 PRESSAVG: 1400 30.0437 11.4754 40.3421 11.4754 -55.3849 19.6001 40.3421 19.6001 3.43643 GPRESSAVG: 1400 31.0002 10.4601 40.2323 11.9341 -56.5632 20.3364 41.1127 19.7132 3.29849 TIMING: 1400 CPU: 4.64791, 0.00314985/step Wall: 4.64791, 0.00314985/step, 4.37356 hours remaining, 220.226562 MB of memory in use. ENERGY: 1400 3914.2169 20496.8720 14457.7515 227.7988 -203022.3439 2142.6789 0.0000 0.0000 52044.0582 -109738.9676 299.0979 -161783.0258 -109389.8770 298.7246 -42.9511 -19.2906 759530.1599 -7.3016 -7.4215 PRESSURE: 1600 -167.944 230.066 -35.3972 230.066 -300.82 96.4181 -35.3977 96.4179 149.676 GPRESSURE: 1600 -48.2651 163.123 -93.7549 245.684 -255.271 100.219 -36.0994 -3.76596 74.5284 PRESSAVG: 1600 88.6974 -20.7494 4.62107 -20.7494 -39.5664 32.2488 4.62105 32.2488 17.651 GPRESSAVG: 1600 88.0385 -23.7097 2.46887 -22.2957 -39.1731 32.1742 5.26698 32.3144 18.7744 TIMING: 1600 CPU: 5.283, 0.00317545/step Wall: 5.283, 0.00317545/step, 4.40893 hours remaining, 220.226562 MB of memory in use. ENERGY: 1600 4048.5472 20374.8137 14430.1545 231.9810 -203297.8265 2372.0358 0.0000 0.0000 52070.9598 -109769.3346 299.2525 -161840.2945 -109407.5601 298.7817 -106.3629 -76.3360 759460.2093 22.2607 22.5466 PRESSURE: 1800 309.727 -9.25914 208.679 -9.25892 -194.023 -290.001 208.679 -290 55.9062 GPRESSURE: 1800 315.089 -4.95618 270.941 26.0476 -127.289 -195.081 87.1417 -318.326 78.1432 PRESSAVG: 1800 14.9133 -27.7541 -22.5468 -27.754 -38.3078 -21.9345 -22.5468 -21.9346 13.0255 GPRESSAVG: 1800 14.6881 -23.7132 -21.224 -27.7164 -37.4746 -21.9735 -24.3465 -21.8244 11.9893 TIMING: 1800 CPU: 5.92466, 0.00320833/step Wall: 5.92466, 0.00320833/step, 4.4544 hours remaining, 220.226562 MB of memory in use. ENERGY: 1800 4000.2046 20551.3404 14425.4420 240.4063 -203494.4731 2527.2337 0.0000 0.0000 52152.2654 -109597.5807 299.7198 -161749.8461 -109231.9739 299.1005 57.2037 88.6479 760352.4949 -3.4563 -3.5991 PRESSURE: 2000 51.9875 -25.0557 1.51765 -25.0561 -1.71304 31.0119 1.51798 31.0116 338.795 GPRESSURE: 2000 98.1427 19.5841 -35.6742 -96.5842 93.3225 4.50515 -51.2214 65.6456 301.074 PRESSAVG: 2000 56.1451 -3.6915 -26.6862 -3.6915 -29.8938 -21.0629 -26.6862 -21.0628 -17.876 GPRESSAVG: 2000 55.1661 -5.94631 -26.3648 -5.55689 -30.0132 -20.7188 -24.7803 -21.3315 -17.168 TIMING: 2000 CPU: 6.56374, 0.00319536/step Wall: 6.56374, 0.00319536/step, 4.43622 hours remaining, 220.226562 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: 2000 3931.1556 20507.7465 14399.0578 241.2803 -202950.0038 2243.4309 0.0000 0.0000 51868.0855 -109759.2473 298.0866 -161627.3327 -109393.1867 299.2338 129.6900 164.1798 758580.6400 2.7918 2.6617 PRESSURE: 2200 -272.806 -116.795 -165.774 -116.796 -36.4239 37.7743 -165.773 37.7754 -116.445 GPRESSURE: 2200 -213.274 -183.173 -191.933 -97.7926 -42.3891 34.1261 -97.1865 47.0661 -89.2979 PRESSAVG: 2200 38.7491 -39.0444 15.0618 -39.0444 -22.3516 -33.556 15.0618 -33.556 -14.3799 GPRESSAVG: 2200 39.0229 -37.9832 14.17 -37.3431 -22.4181 -34.3086 15.2203 -33.4007 -14.6047 TIMING: 2200 CPU: 7.19667, 0.00316465/step Wall: 7.19667, 0.00316465/step, 4.39341 hours remaining, 220.226562 MB of memory in use. ENERGY: 2200 4049.5425 20510.8791 14493.0456 250.1433 -204009.9010 2802.8514 0.0000 0.0000 52006.3477 -109897.0914 298.8812 -161903.4392 -109538.3312 298.9200 -141.8916 -114.9869 757610.3249 0.6725 0.6667 PRESSURE: 2400 89.6831 -223.595 -68.4197 -223.596 -0.0643998 110.16 -68.4197 110.16 -326.157 GPRESSURE: 2400 97.5893 -146.549 -80.047 -202.07 26.7116 235.611 -63.8286 -23.2113 -283.777 PRESSAVG: 2400 58.6604 -25.9712 -21.8367 -25.9713 -34.5746 46.0604 -21.8367 46.0604 14.3154 GPRESSAVG: 2400 58.7903 -26.2162 -20.8446 -26.6457 -34.9452 47.4705 -20.6922 45.2708 14.7008 TIMING: 2400 CPU: 7.82484, 0.00314088/step Wall: 7.82484, 0.00314088/step, 4.36023 hours remaining, 220.226562 MB of memory in use. ENERGY: 2400 4046.1822 20543.5898 14428.0886 248.2604 -203655.3600 2545.1001 0.0000 0.0000 51916.6769 -109927.4620 298.3659 -161844.1388 -109566.6739 298.9601 -78.8460 -53.1588 759643.9887 12.8004 12.8486 PRESSURE: 2600 54.1652 28.5531 -121.456 28.553 -225.93 -39.7078 -121.455 -39.7071 458.453 GPRESSURE: 2600 100.774 -27.8674 -90.7024 -38.2684 -182.497 -164.7 -138.847 -57.0456 439.751 PRESSAVG: 2600 28.8943 -38.3834 -49.1696 -38.3834 -31.3786 -29.4 -49.1696 -29.4001 -33.1572 GPRESSAVG: 2600 28.6033 -38.6349 -47.9554 -36.9961 -31.4015 -30.4404 -52.261 -26.4279 -33.5216 TIMING: 2600 CPU: 8.45655, 0.00315856/step Wall: 8.45655, 0.00315856/step, 4.3846 hours remaining, 220.226562 MB of memory in use. ENERGY: 2600 4019.3163 20571.2279 14486.1989 241.4190 -203253.4339 2435.4273 0.0000 0.0000 51597.6990 -109902.1455 296.5327 -161499.8445 -109542.4248 298.0883 95.5627 119.3429 759263.8943 -11.8805 -12.1066 PRESSURE: 2800 -131.987 1.1139 -118.542 1.11344 -346.862 211.5 -118.542 211.5 -149.595 GPRESSURE: 2800 -12.8517 -81.3284 -154.254 -44.288 -351.881 221.936 -6.74132 34.8815 -188.623 PRESSAVG: 2800 -12.9794 -21.3926 2.44844 -21.3925 12.7346 -28.5087 2.44844 -28.5087 -14.7892 GPRESSAVG: 2800 -12.6413 -21.6053 0.638133 -22.665 12.8987 -28.7814 3.95053 -29.8949 -15.4429 TIMING: 2800 CPU: 9.08735, 0.00315399/step Wall: 9.08735, 0.00315399/step, 4.37809 hours remaining, 220.226562 MB of memory in use. ENERGY: 2800 4031.4865 20570.9369 14420.2240 229.7806 -203308.2572 2248.6499 0.0000 0.0000 51943.2128 -109863.9664 298.5184 -161807.1792 -109507.6604 298.8261 -209.4813 -184.4520 759789.9337 -5.0113 -5.0618 PRESSURE: 3000 47.4045 -65.7345 147.383 -65.7349 -187.375 -110.39 147.383 -110.389 -338.385 GPRESSURE: 3000 39.2181 -102.31 52.585 -25.9233 -60.777 -58.5482 31.7638 -197.746 -348.265 PRESSAVG: 3000 4.83327 -50.7078 3.18277 -50.7078 8.35108 -52.5231 3.18276 -52.5231 16.5751 GPRESSAVG: 3000 4.4084 -50.8558 2.79191 -50.955 7.66648 -51.0061 2.93156 -54.5145 17.4907 TIMING: 3000 CPU: 9.71816, 0.00315407/step Wall: 9.71816, 0.00315407/step, 4.37802 hours remaining, 220.226562 MB of memory in use. ENERGY: 3000 4013.9611 20545.8705 14442.9156 249.3257 -203462.2322 2470.3933 0.0000 0.0000 52050.4481 -109689.3178 299.1346 -161739.7659 -109327.9196 299.3340 -159.4519 -123.2747 759077.2691 9.9198 9.8552 PRESSURE: 3200 53.0054 -50.1718 38.5351 -50.1717 -77.2041 15.1021 38.5359 15.1021 -263.089 GPRESSURE: 3200 67.075 -11.766 50.8578 -152.799 31.0659 -25.706 162.635 96.4365 -274.841 PRESSAVG: 3200 -10.9479 -94.062 27.5338 -94.0619 23.6843 -29.9344 27.5337 -29.9344 -3.48882 GPRESSAVG: 3200 -10.7196 -92.4346 27.8659 -92.8783 24.3528 -30.5638 26.4175 -30.2143 -4.92343 TIMING: 3200 CPU: 10.3486, 0.00315218/step Wall: 10.3486, 0.00315218/step, 4.37523 hours remaining, 220.226562 MB of memory in use. ENERGY: 3200 3928.6055 20509.3518 14514.0744 283.5246 -203224.5079 2359.1040 0.0000 0.0000 51954.0086 -109675.8388 298.5804 -161629.8474 -109318.1499 298.7265 -95.7625 -58.9000 758915.0558 3.0825 2.9032 PRESSURE: 3400 -627.606 -97.974 -45.6252 -97.9755 -4.81458 -30.9575 -45.6248 -30.9579 -352.879 GPRESSURE: 3400 -490.699 -36.0647 -49.7304 -90.5501 -113.521 -40.8391 -111.042 34.1939 -295.141 PRESSAVG: 3400 -66.849 11.7395 -25.224 11.7395 20.7936 -8.01176 -25.224 -8.01176 -26.1271 GPRESSAVG: 3400 -67.2757 11.5104 -23.4961 11.7124 20.0731 -8.67946 -24.7808 -4.62267 -24.9244 TIMING: 3400 CPU: 10.9812, 0.0031628/step Wall: 10.9812, 0.0031628/step, 4.3898 hours remaining, 220.226562 MB of memory in use. ENERGY: 3400 3964.1110 20436.2109 14469.1667 255.4944 -202994.2045 2253.4457 0.0000 0.0000 52200.7093 -109415.0665 299.9982 -161615.7758 -109054.6141 299.6157 -328.4332 -299.7871 761116.7517 -24.0608 -24.0424 PRESSURE: 3600 358.562 -150.052 -205.019 -150.052 -137.441 19.4931 -205.02 19.4921 281.048 GPRESSURE: 3600 274.929 -186.617 -256.77 -131.114 -5.89635 21.5141 -209.762 169.726 298.477 PRESSAVG: 3600 -51.0464 -43.9591 -2.60678 -43.9591 27.7894 -28.2288 -2.60675 -28.2289 3.54889 GPRESSAVG: 3600 -50.9416 -43.0481 -4.35964 -43.9571 27.7466 -28.4523 -3.48299 -30.5066 3.69349 TIMING: 3600 CPU: 11.6169, 0.00317846/step Wall: 11.6169, 0.00317846/step, 4.41135 hours remaining, 220.226562 MB of memory in use. ENERGY: 3600 3974.2593 20634.7514 14451.0565 247.1214 -203617.5243 2691.9923 0.0000 0.0000 52461.8088 -109156.5345 301.4987 -161618.3433 -108802.9009 299.6901 167.3896 189.1697 761121.1843 -6.5694 -6.5005 PRESSURE: 3800 -59.4176 -14.7497 31.1595 -14.7498 -93.5377 164.725 31.1601 164.726 -325.352 GPRESSURE: 3800 -1.131 -103.955 126.38 40.7806 -42.9317 146.463 -15.5961 154.771 -351.585 PRESSAVG: 3800 -23.0663 -43.5561 -1.38546 -43.556 -7.19461 -64.5923 -1.38542 -64.5921 -2.22233 GPRESSAVG: 3800 -23.0895 -44.6694 0.589543 -43.9516 -7.95362 -64.9337 0.981375 -63.5342 -1.87462 TIMING: 3800 CPU: 12.2476, 0.00315353/step Wall: 12.2476, 0.00315353/step, 4.37657 hours remaining, 220.226562 MB of memory in use. ENERGY: 3800 4053.1584 20445.0279 14437.3311 246.8947 -203134.8422 2683.2792 0.0000 0.0000 52180.6487 -109088.5022 299.8829 -161269.1509 -108714.1029 299.8976 -159.4359 -131.8825 761452.0716 -10.8277 -10.9726 PRESSURE: 4000 119.308 200.119 -238.782 200.119 -35.1459 -71.8979 -238.782 -71.8973 -131.961 GPRESSURE: 4000 178.197 271.18 -281.613 331.284 -49.3446 -142.137 -266.166 -121.448 -91.1709 PRESSAVG: 4000 30.6523 -9.79069 4.51496 -9.79069 -7.06071 -70.2671 4.51499 -70.2671 -22.8158 GPRESSAVG: 4000 30.1581 -9.4343 2.37391 -8.66933 -7.09421 -69.6067 4.16494 -71.3 -22.5896 TIMING: 4000 CPU: 12.8788, 0.00315609/step Wall: 12.8788, 0.00315609/step, 4.37995 hours remaining, 220.226562 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: 4000 3969.4563 20666.2127 14463.5011 254.9373 -203267.1494 2511.4013 0.0000 0.0000 52261.7075 -109139.9332 300.3488 -161401.6407 -108774.5520 300.0982 -15.9330 12.5604 760598.2724 0.2586 0.1581 PRESSURE: 4200 -234.784 -62.6403 108.539 -62.6404 -185.52 -17.2168 108.54 -17.2163 -500.791 GPRESSURE: 4200 -173.456 -14.3257 155.548 6.19901 -144.432 -1.78809 79.5269 -130.631 -514.147 PRESSAVG: 4200 6.01095 32.2054 3.93808 32.2054 11.1123 -25.7684 3.93808 -25.7685 -1.41159 GPRESSAVG: 4200 5.04041 31.2399 3.50341 30.985 13.5592 -26.2622 4.47737 -26.8797 -2.21858 TIMING: 4200 CPU: 13.5141, 0.00317657/step Wall: 13.5141, 0.00317657/step, 4.40819 hours remaining, 220.226562 MB of memory in use. ENERGY: 4200 4060.5589 20667.7544 14408.5634 250.9091 -202856.5942 2119.8795 0.0000 0.0000 51949.1269 -109399.8021 298.5523 -161348.9290 -109033.9844 299.4377 -307.0318 -277.3446 760156.1954 5.2372 5.4603 LDB: ============= START OF LOAD BALANCING ============== 25.9379 LDB: ============== END OF LOAD BALANCING =============== 25.938 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 25.9398 LDB: ============= START OF LOAD BALANCING ============== 26.2571 LDB: Largest compute 7065 load 0.034024 is 17.6% of average load 0.193841 LDB: Average compute 0.004386 is 2.3% of average load 0.193841 LDB: TIME 26.2605 LOAD: AVG 0.193841 MAX 0.207429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.359 MB LDB: TIME 26.2609 LOAD: AVG 0.193841 MAX 0.207429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.395 MB LDB: TIME 26.261 LOAD: AVG 0.193841 MAX 0.207429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.395 MB LDB: ============== END OF LOAD BALANCING =============== 26.263 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 26.2679 PRESSURE: 4400 212.401 66.6128 -148.763 66.6123 281.889 -99.8525 -148.763 -99.8526 -274.788 GPRESSURE: 4400 218.844 41.5756 -77.8493 289.37 368.315 -44.5845 -250.01 -144.906 -285.104 PRESSAVG: 4400 -16.6689 -3.97427 9.03275 -3.97434 5.95815 -50.3908 9.03268 -50.3908 -2.30963 GPRESSAVG: 4400 -15.0446 -4.83649 9.73287 -2.81689 3.87748 -48.6155 6.68193 -50.6902 -2.61479 TIMING: 4400 CPU: 14.1617, 0.00323787/step Wall: 14.1617, 0.00323787/step, 4.49309 hours remaining, 217.523438 MB of memory in use. ENERGY: 4400 4005.6614 20483.4772 14505.1798 247.0332 -203386.9251 2583.1426 0.0000 0.0000 52299.3857 -109263.0453 300.5653 -161562.4310 -108891.4334 299.6566 73.1673 100.6851 760465.5835 -4.3401 -4.5940 PRESSURE: 4600 -83.8074 16.998 -269.03 16.9982 250.247 -32.1414 -269.029 -32.1403 201.898 GPRESSURE: 4600 -8.92621 -57.1784 -263.488 37.3043 215.64 41.8704 -0.620084 -26.8075 227.536 PRESSAVG: 4600 -27.7892 2.56569 -8.45158 2.56562 8.93107 -73.1348 -8.45158 -73.1348 -11.4629 GPRESSAVG: 4600 -28.8169 4.41016 -9.65997 2.46731 8.31208 -73.0564 -4.78223 -73.3617 -10.4597 TIMING: 4600 CPU: 14.7914, 0.00314873/step Wall: 14.7914, 0.00314873/step, 4.36921 hours remaining, 217.984375 MB of memory in use. ENERGY: 4600 3926.9478 20760.6396 14485.1092 235.6361 -203396.7837 2397.1294 0.0000 0.0000 52240.9544 -109350.3673 300.2295 -161591.3216 -108979.8981 299.6899 122.7795 144.7499 760039.6233 -10.1070 -10.3215 PRESSURE: 4800 -356.453 194.866 86.4491 194.866 -433.731 -109.536 86.4487 -109.536 -158.717 GPRESSURE: 4800 -308.722 147.328 71.5193 240.068 -469.392 -149.878 76.8186 -50.4809 -85.4268 PRESSAVG: 4800 78.4212 52.5174 44.0551 52.5173 -80.2773 -3.6399 44.0551 -3.63993 24.02 GPRESSAVG: 4800 79.245 53.4273 44.8272 52.8544 -78.913 -5.08524 43.1853 -1.17202 22.6197 TIMING: 4800 CPU: 15.4245, 0.00316544/step Wall: 15.4245, 0.00316544/step, 4.39222 hours remaining, 217.984375 MB of memory in use. ENERGY: 4800 3974.6648 20647.6905 14535.8321 231.1510 -203632.2788 2518.9735 0.0000 0.0000 52177.8153 -109546.1516 299.8666 -161723.9669 -109184.7678 299.4314 -316.3004 -287.8471 759709.6062 7.3879 7.6506 PRESSURE: 5000 306.307 -101.614 172.481 -101.614 451.852 42.4485 172.48 42.448 74.1902 GPRESSURE: 5000 292.831 -77.769 188.006 -147.936 483.601 145.191 40.4964 104.315 149.292 PRESSAVG: 5000 12.986 0.541938 -16.1269 0.541943 5.14525 34.2345 -16.1268 34.2345 -1.32642 GPRESSAVG: 5000 11.8952 2.35324 -15.7839 0.153077 5.75149 34.3421 -16.0271 32.607 -1.01417 TIMING: 5000 CPU: 16.0529, 0.00314199/step Wall: 16.0529, 0.00314199/step, 4.35951 hours remaining, 217.984375 MB of memory in use. ENERGY: 5000 4013.4198 20556.5698 14412.1094 243.0168 -203931.4786 2836.8472 0.0000 0.0000 52084.8069 -109784.7086 299.3321 -161869.5155 -109417.9504 299.3873 277.4496 308.5750 759148.3181 5.6016 5.5442 PRESSURE: 5200 221.621 157.868 60.3067 157.867 220.794 -144.749 60.3064 -144.748 -10.6615 GPRESSURE: 5200 374.996 277.714 105.281 133.969 204.629 -211.153 -23.7188 -52.8196 -53.7994 PRESSAVG: 5200 7.15757 8.90112 23.5241 8.90124 1.34501 -3.78967 23.5241 -3.78966 17.7449 GPRESSAVG: 5200 7.61677 7.58391 22.6633 9.60812 -0.230195 -5.98761 23.5579 -2.43008 18.7116 TIMING: 5200 CPU: 16.6809, 0.00313984/step Wall: 16.6809, 0.00313984/step, 4.35635 hours remaining, 217.984375 MB of memory in use. ENERGY: 5200 3955.6592 20465.0646 14343.8049 227.1982 -203600.7249 2720.6372 0.0000 0.0000 51914.3329 -109974.0279 298.3524 -161888.3608 -109602.8689 299.3479 143.9177 175.2751 760479.5435 8.7492 8.6994 PRESSURE: 5400 40.6562 -82.8287 -196.198 -82.828 25.7041 59.1895 -196.198 59.1911 174.674 GPRESSURE: 5400 49.1488 -8.58726 -107.31 -21.0092 100.919 -18.2839 -209.047 146.986 202.566 PRESSAVG: 5400 -9.62609 5.23853 1.92824 5.23858 12.5007 31.1665 1.92825 31.1666 2.23216 GPRESSAVG: 5400 -9.33375 2.4862 0.611626 6.92493 12.3671 32.5202 1.0613 28.7244 1.28487 TIMING: 5400 CPU: 17.3157, 0.0031744/step Wall: 17.3157, 0.0031744/step, 4.40413 hours remaining, 217.984375 MB of memory in use. ENERGY: 5400 3984.8920 20588.1280 14403.9627 256.4417 -203583.8474 2538.4483 0.0000 0.0000 51771.7723 -110040.2024 297.5331 -161811.9747 -109686.2181 298.6640 80.3446 117.5447 759704.5881 1.7023 1.4394 PRESSURE: 5600 317.153 -244.105 -47.5111 -244.105 331.18 -28.1765 -47.5108 -28.1765 -244.735 GPRESSURE: 5600 346.981 -210.898 2.20075 -279.653 326.101 -22.6804 -116.924 -26.8535 -184.153 PRESSAVG: 5600 -13.1415 -23.2167 18.2194 -23.2167 24.6742 73.6043 18.2195 73.6043 -4.74873 GPRESSAVG: 5600 -12.6332 -21.959 21.5411 -24.8915 24.7413 74.8367 16.3686 74.158 -5.53086 TIMING: 5600 CPU: 17.9464, 0.00315324/step Wall: 17.9464, 0.00315324/step, 4.37459 hours remaining, 217.984375 MB of memory in use. ENERGY: 5600 3906.4662 20434.7868 14429.5561 224.2383 -203731.5851 2829.4312 0.0000 0.0000 52047.6964 -109859.4102 299.1188 -161907.1066 -109498.1601 298.8014 134.5328 162.9765 760989.2016 2.2613 2.1924 PRESSURE: 5800 -41.0728 103.735 92.7715 103.735 91.3756 -12.1513 92.7715 -12.1508 -19.4153 GPRESSURE: 5800 36.2155 3.19963 57.7884 180.674 48.9095 -30.9116 54.6398 -89.1346 43.1055 PRESSAVG: 5800 -6.67036 -17.1837 -28.3895 -17.1837 -2.87707 30.8953 -28.3895 30.8953 30.745 GPRESSAVG: 5800 -8.06613 -16.7653 -29.5989 -17.5666 -2.03297 31.5015 -27.4714 33.32 31.6806 TIMING: 5800 CPU: 18.5811, 0.00317371/step Wall: 18.5811, 0.00317371/step, 4.40281 hours remaining, 217.984375 MB of memory in use. ENERGY: 5800 3932.6715 20450.0839 14401.1233 223.5014 -203357.6543 2391.8275 0.0000 0.0000 51977.1829 -109981.2638 298.7136 -161958.4467 -109616.5405 298.3414 10.2958 42.7435 760658.3958 7.0659 7.1938 PRESSURE: 6000 -201.078 104.423 124.76 104.424 -433.439 -53.5602 124.76 -53.5613 335.545 GPRESSURE: 6000 -134.176 17.7185 35.6006 70.7447 -377.442 46.4641 93.675 -18.1785 304.225 PRESSAVG: 6000 2.31764 -24.9619 -35.5302 -24.9619 6.75463 44.0557 -35.5302 44.0556 2.30148 GPRESSAVG: 6000 0.97193 -24.6977 -35.6595 -24.6008 7.86612 42.8767 -36.4429 43.6751 1.93 TIMING: 6000 CPU: 19.2142, 0.00316529/step Wall: 19.2142, 0.00316529/step, 4.39097 hours remaining, 217.984375 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: 6000 4022.1262 20483.2371 14403.3323 227.2473 -203346.5760 2517.1515 0.0000 0.0000 51665.4334 -110028.0482 296.9220 -161693.4816 -109669.1594 298.2187 -99.6573 -69.1309 760361.7364 3.7912 3.5894 PRESSURE: 6200 67.1432 3.61357 -133.291 3.61334 83.5401 -49.7374 -133.292 -49.7381 -326.9 GPRESSURE: 6200 119.285 19.7715 -147.178 18.7838 108.131 35.1921 -24.9038 -9.62273 -295.86 PRESSAVG: 6200 -2.52322 -30.9755 47.0208 -30.9755 1.58993 5.86361 47.0208 5.86366 4.94736 GPRESSAVG: 6200 -0.502552 -32.3994 46.3351 -32.3386 -1.11792 5.2697 48.0462 6.18969 5.55701 TIMING: 6200 CPU: 19.8411, 0.00313455/step Wall: 19.8411, 0.00313455/step, 4.34815 hours remaining, 217.984375 MB of memory in use. ENERGY: 6200 4028.3873 20430.6929 14448.5597 241.7242 -203307.0599 2427.3624 0.0000 0.0000 51747.0723 -109983.2611 297.3911 -161730.3334 -109630.5439 297.7261 -58.7388 -22.8148 759811.2312 1.3380 1.3122 PRESSURE: 6400 215.314 -59.7198 170.727 -59.7203 144.762 338.115 170.727 338.115 41.647 GPRESSURE: 6400 236.796 -44.9952 245.032 -50.3649 140.141 263.274 21.3052 357.645 98.0457 PRESSAVG: 6400 12.5771 -56.566 4.71356 -56.566 -32.8105 24.226 4.71355 24.2261 -20.1515 GPRESSAVG: 6400 11.3897 -56.9999 5.87381 -54.3571 -31.3499 23.6892 4.46169 23.2746 -20.5562 TIMING: 6400 CPU: 20.4666, 0.00312767/step Wall: 20.4666, 0.00312767/step, 4.33843 hours remaining, 217.984375 MB of memory in use. ENERGY: 6400 3973.7402 20393.1116 14371.3940 239.3383 -203254.7256 2596.6180 0.0000 0.0000 51867.1443 -109813.3791 298.0812 -161680.5234 -109448.6672 298.2413 133.9077 158.3276 760672.3630 -13.4616 -13.5054 PRESSURE: 6600 176.217 -12.4085 -13.3245 -12.409 190.975 -207.722 -13.325 -207.723 -224.95 GPRESSURE: 6600 115.146 51.7269 -7.21285 -59.2114 303.042 -183.751 65.3683 -160.237 -191.174 PRESSAVG: 6600 30.5884 -0.790229 45.6828 -0.790112 -0.911758 32.8429 45.6827 32.8428 29.125 GPRESSAVG: 6600 30.7311 1.43618 44.6042 -2.6175 -1.48264 34.0211 43.8648 34.1217 29.2915 TIMING: 6600 CPU: 21.0921, 0.00312717/step Wall: 21.0921, 0.00312717/step, 4.33756 hours remaining, 217.984375 MB of memory in use. ENERGY: 6600 3996.8991 20641.3915 14390.2074 243.4111 -203655.8056 2947.2227 0.0000 0.0000 51927.8644 -109508.8093 298.4302 -161436.6737 -109148.1441 298.9158 47.4137 75.6712 760986.2451 19.6006 19.5133 PRESSURE: 6800 225.873 30.4499 -215.044 30.4499 -221.257 -35.2618 -215.045 -35.2631 110.305 GPRESSURE: 6800 269.377 -2.98435 -224.26 56.7065 -261.686 -135.511 -106.274 -56.3627 189.166 PRESSAVG: 6800 29.9045 -0.134572 19.1927 -0.134579 -7.19332 -18.6335 19.1927 -18.6335 11.3417 GPRESSAVG: 6800 29.1599 -2.16351 20.1211 0.59784 -5.79257 -20.4946 22.2664 -19.1482 10.5248 TIMING: 6800 CPU: 21.724, 0.00315945/step Wall: 21.724, 0.00315945/step, 4.38215 hours remaining, 217.984375 MB of memory in use. ENERGY: 6800 4040.3675 20684.1904 14477.8793 242.6090 -203656.8825 2656.2476 0.0000 0.0000 51887.4023 -109668.1864 298.1976 -161555.5887 -109315.8956 299.3074 38.3065 65.6189 759438.6388 11.3509 11.2974 PRESSURE: 7000 24.069 93.3999 -32.606 93.3994 -421.781 127.078 -32.6063 127.078 24.0089 GPRESSURE: 7000 16.7806 97.2833 2.24601 -65.4166 -327.303 35.0383 -48.4017 126.706 14.2773 PRESSAVG: 7000 -40.2002 -16.0407 37.2802 -16.0407 11.7368 -23.0655 37.2802 -23.0656 4.28918 GPRESSAVG: 7000 -39.2952 -15.7203 37.2952 -15.7557 10.7144 -23.2983 37.9253 -23.2901 4.41418 TIMING: 7000 CPU: 22.3596, 0.00317802/step Wall: 22.3596, 0.00317802/step, 4.40774 hours remaining, 217.984375 MB of memory in use. ENERGY: 7000 4017.1837 20435.0050 14473.5264 233.8049 -203421.5086 2646.2435 0.0000 0.0000 52045.7186 -109570.0264 299.1075 -161615.7450 -109210.2056 298.9864 -124.5677 -98.7483 761425.5031 -8.0581 -8.0555 PRESSURE: 7200 53.5697 4.72065 86.168 4.72079 186.832 -51.656 86.1679 -51.657 -37.8288 GPRESSURE: 7200 158.182 -43.8425 127.787 56.3072 158.091 30.4913 140.051 -55.0076 -12.1907 PRESSAVG: 7200 2.46393 12.6785 69.1238 12.6785 16.4473 31.3663 69.1238 31.3663 21.6736 GPRESSAVG: 7200 2.39585 14.5108 68.1725 9.36548 16.6035 33.1508 67.9657 31.4409 21.5459 TIMING: 7200 CPU: 22.993, 0.00316697/step Wall: 22.993, 0.00316697/step, 4.39224 hours remaining, 217.984375 MB of memory in use. ENERGY: 7200 4023.2438 20734.7264 14468.4002 226.3413 -203101.7714 2403.0936 0.0000 0.0000 51715.7425 -109530.2238 297.2111 -161245.9663 -109180.8767 298.8314 67.5243 101.3606 760686.7677 13.5283 13.5151 PRESSURE: 7400 -15.4794 -37.8179 -331.482 -37.8187 131.311 60.1933 -331.481 60.1924 236.439 GPRESSURE: 7400 97.5488 51.8791 -282.981 -14.4123 109.653 -0.155763 -252.095 105.763 220.889 PRESSAVG: 7400 -11.0409 51.5081 -13.4151 51.5081 -12.0079 36.0942 -13.4151 36.0942 8.27758 GPRESSAVG: 7400 -10.7088 50.2932 -13.5339 55.7942 -11.751 34.6047 -11.0612 36.8028 7.43859 TIMING: 7400 CPU: 23.6315, 0.00319263/step Wall: 23.6315, 0.00319263/step, 4.42764 hours remaining, 217.984375 MB of memory in use. ENERGY: 7400 3945.6676 20567.5500 14406.1225 235.7021 -203285.6705 2475.3566 0.0000 0.0000 51958.6767 -109696.5950 298.6072 -161655.2717 -109334.4488 299.2078 117.4236 142.6971 761071.3035 -4.9238 -5.0071 PRESSURE: 7600 -118.552 45.7891 176.782 45.7889 96.1167 175.953 176.783 175.954 372.799 GPRESSURE: 7600 -17.6949 -60.6832 123.995 -35.6592 81.321 115.403 150.963 279.985 363.933 PRESSAVG: 7600 -11.1735 18.9644 9.76389 18.9644 48.8319 39.7438 9.76387 39.7438 3.08389 GPRESSAVG: 7600 -10.9442 20.2539 10.8609 18.0356 48.0565 39.6513 6.90261 39.7019 3.20121 TIMING: 7600 CPU: 24.272, 0.00320233/step Wall: 24.272, 0.00320233/step, 4.44092 hours remaining, 217.984375 MB of memory in use. ENERGY: 7600 3996.5741 20456.6523 14507.0936 245.9021 -203528.6607 2695.4789 0.0000 0.0000 52036.7997 -109590.1600 299.0562 -161626.9597 -109226.7070 298.9982 116.7878 142.5196 761361.7756 13.5807 13.4378 PRESSURE: 7800 -71.9686 74.864 27.2214 74.8644 65.9478 11.4278 27.2214 11.4284 6.62685 GPRESSURE: 7800 -14.4032 51.4526 131.219 -2.59082 46.1905 -4.49666 -31.5826 -96.448 64.9098 PRESSAVG: 7800 6.94549 -11.0421 17.2976 -11.0421 -4.29819 28.775 17.2976 28.7749 -5.27047 GPRESSAVG: 7800 5.94406 -12.0099 15.0286 -10.3065 -2.77071 29.8354 19.9372 26.7736 -5.31863 TIMING: 7800 CPU: 24.904, 0.00316001/step Wall: 24.904, 0.00316001/step, 4.38206 hours remaining, 217.984375 MB of memory in use. ENERGY: 7800 3960.1146 20624.6351 14449.4504 257.3390 -203352.6967 2466.5856 0.0000 0.0000 52166.5872 -109427.9848 299.8021 -161594.5720 -109081.8932 299.3181 0.2020 32.2324 761377.0306 -0.8744 -0.7151 PRESSURE: 8000 -17.2794 -39.1026 -145.516 -39.1031 197.995 9.96159 -145.516 9.96109 -320.151 GPRESSURE: 8000 58.414 5.33757 -192.562 10.0137 198.451 31.3569 -124.603 -57.5626 -314.485 PRESSAVG: 8000 13.2096 -42.6035 29.7936 -42.6034 37.9468 1.40152 29.7935 1.40147 24.7436 GPRESSAVG: 8000 12.7999 -40.3693 34.1237 -43.5402 37.3891 1.02755 27.0483 1.76689 25.8793 TIMING: 8000 CPU: 25.5349, 0.00315452/step Wall: 25.5349, 0.00315452/step, 4.37427 hours remaining, 217.984375 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: 8000 4000.8122 20522.1278 14456.4200 229.7757 -203461.0632 2521.7161 0.0000 0.0000 52140.4025 -109589.8089 299.6516 -161730.2114 -109230.6202 299.7236 -46.4785 -19.2065 760777.3989 25.3000 25.3561 PRESSURE: 8200 128.6 -39.4899 75.5018 -39.4894 -289.311 367.027 75.5017 367.027 -392.977 GPRESSURE: 8200 111.271 -12.0966 -71.9074 -63.1225 -189.687 398.943 42.6545 294.332 -405.471 PRESSAVG: 8200 26.3213 -47.1015 36.5998 -47.1015 -24.9771 0.896189 36.5999 0.896207 -3.5 GPRESSAVG: 8200 28.1811 -48.6399 32.846 -47.0609 -25.7192 0.659092 39.8712 1.13199 -5.20629 TIMING: 8200 CPU: 26.1681, 0.00316646/step Wall: 26.1681, 0.00316646/step, 4.39065 hours remaining, 217.984375 MB of memory in use. ENERGY: 8200 3976.5714 20460.9795 14374.8932 250.5855 -203093.1713 2421.8844 0.0000 0.0000 52153.4492 -109454.8082 299.7266 -161608.2574 -109095.4525 299.7550 -184.5626 -161.2955 761275.7464 -0.7186 -0.9148 LDB: ============= START OF LOAD BALANCING ============== 38.5923 LDB: ============== END OF LOAD BALANCING =============== 38.5925 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.5941 LDB: ============= START OF LOAD BALANCING ============== 38.9114 LDB: Largest compute 7034 load 0.034851 is 18.0% of average load 0.194021 LDB: Average compute 0.004397 is 2.3% of average load 0.194021 LDB: TIME 38.9149 LOAD: AVG 0.194021 MAX 0.210329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.652 MB LDB: TIME 38.9153 LOAD: AVG 0.194021 MAX 0.210329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.695 MB LDB: TIME 38.9154 LOAD: AVG 0.194021 MAX 0.210329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.695 MB LDB: ============== END OF LOAD BALANCING =============== 38.9176 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.9223 PRESSURE: 8400 -291.25 271.887 -170.219 271.886 -71.2373 26.9114 -170.218 26.9126 -369.443 GPRESSURE: 8400 -189.31 294.815 -182.056 207.839 -35.1307 45.1071 -82.4734 49.5192 -392.257 PRESSAVG: 8400 -13.8062 -25.7308 19.502 -25.7308 12.6049 45.1964 19.502 45.1964 -2.22109 GPRESSAVG: 8400 -14.1809 -25.2908 19.3602 -26.0798 12.802 47.1214 18.3601 45.7927 -1.70194 TIMING: 8400 CPU: 26.8161, 0.00323954/step Wall: 26.8161, 0.00323954/step, 4.4918 hours remaining, 220.816406 MB of memory in use. ENERGY: 8400 3993.2110 20524.3726 14413.7187 247.7844 -203391.5388 2478.7544 0.0000 0.0000 52271.4497 -109462.2480 300.4047 -161733.6977 -109088.2010 300.1258 -243.9766 -205.5660 760686.9530 -1.1408 -1.0269 PRESSURE: 8600 -209.78 53.4867 -2.31048 53.487 -236.418 65.5767 -2.3106 65.5772 -229.157 GPRESSURE: 8600 -194.158 -10.5799 -51.7304 52.6936 -152.608 118.572 2.80375 85.6503 -242.206 PRESSAVG: 8600 -1.2037 -48.1896 -44.7188 -48.1896 52.7223 17.8335 -44.7187 17.8335 -11.5859 GPRESSAVG: 8600 -1.68444 -47.9594 -44.5256 -48.4256 52.6674 15.8651 -45.4799 17.6745 -11.3028 TIMING: 8600 CPU: 27.4554, 0.00319686/step Wall: 27.4554, 0.00319686/step, 4.43245 hours remaining, 220.886719 MB of memory in use. ENERGY: 8600 4089.2388 20698.8552 14434.5243 268.4385 -203034.1494 2222.7449 0.0000 0.0000 52154.1276 -109166.2201 299.7305 -161320.3477 -108806.6887 300.0691 -225.1183 -196.3243 760756.8099 13.3109 13.2267 PRESSURE: 8800 44.605 -71.1935 -45.1659 -71.1942 -190.449 -53.016 -45.1658 -53.0153 72.4267 GPRESSURE: 8800 105.269 -153.945 -29.669 -164.931 -240.693 -54.2818 -18.06 -9.66286 147.835 PRESSAVG: 8800 13.3253 -37.2769 11.0535 -37.2768 7.45986 23.1964 11.0535 23.1963 39.1938 GPRESSAVG: 8800 13.044 -38.9461 10.6646 -37.2984 7.63386 23.6327 12.8085 23.0589 38.9605 TIMING: 8800 CPU: 28.0929, 0.00318747/step Wall: 28.0929, 0.00318747/step, 4.41925 hours remaining, 220.886719 MB of memory in use. ENERGY: 8800 4089.0156 20599.1025 14426.9646 249.0959 -203597.0943 2477.8526 0.0000 0.0000 52245.6831 -109509.3799 300.2567 -161755.0631 -109155.4600 300.8774 -24.4726 4.1370 759982.1480 19.9930 19.8795 PRESSURE: 9000 -285.396 14.1661 220.752 14.1665 340.043 149.222 220.753 149.221 -302.03 GPRESSURE: 9000 -129.21 110.779 192.182 72.6422 264.228 107.435 226.172 229.826 -307.482 PRESSAVG: 9000 9.07999 -20.9139 24.3021 -20.9139 -29.9673 10.843 24.3022 10.843 14.0301 GPRESSAVG: 9000 9.72297 -19.6976 23.7954 -21.3974 -30.9903 10.9724 23.9553 11.6096 14.5579 TIMING: 9000 CPU: 28.7288, 0.00317939/step Wall: 28.7288, 0.00317939/step, 4.40787 hours remaining, 220.886719 MB of memory in use. ENERGY: 9000 3987.9693 20698.3841 14451.7338 245.2437 -203535.9992 2602.2438 0.0000 0.0000 51883.3436 -109667.0809 298.1743 -161550.4245 -109314.7703 299.7590 -82.4611 -57.4880 759387.9551 -2.2857 -2.2365 PRESSURE: 9200 -279.741 34.9382 -7.66128 34.9381 -150.159 143.427 -7.66182 143.427 -269.764 GPRESSURE: 9200 -167.773 11.1571 -84.345 40.0464 -173.464 164.826 91.6053 66.9058 -265.084 PRESSAVG: 9200 -32.4942 -70.779 66.025 -70.779 19.9015 0.879981 66.025 0.879978 6.44601 GPRESSAVG: 9200 -32.4072 -70.5336 66.6318 -69.1564 21.0081 1.43585 64.4097 -0.487533 5.59667 TIMING: 9200 CPU: 29.3639, 0.00317532/step Wall: 29.3639, 0.00317532/step, 4.40205 hours remaining, 220.886719 MB of memory in use. ENERGY: 9200 3956.4063 20492.7727 14533.3835 249.4080 -203490.4837 2361.9380 0.0000 0.0000 52042.7593 -109853.8160 299.0905 -161896.5753 -109488.5619 299.0641 -233.2214 -202.1070 759503.4699 -2.0489 -1.9341 PRESSURE: 9400 444.649 13.8706 104.158 13.8712 132.262 -186.974 104.158 -186.974 396.586 GPRESSURE: 9400 433.112 57.8518 89.7993 17.263 200.576 -168.891 138.247 -158.54 430.546 PRESSAVG: 9400 -18.5043 -43.5898 11.1682 -43.5898 -32.5268 -2.8909 11.1683 -2.89093 -7.11425 GPRESSAVG: 9400 -17.9727 -44.9509 10.8629 -44.5278 -34.1276 -4.22128 12.1603 -2.38181 -6.3642 TIMING: 9400 CPU: 30.0009, 0.00318494/step Wall: 30.0009, 0.00318494/step, 4.41521 hours remaining, 220.886719 MB of memory in use. ENERGY: 9400 4020.6424 20572.1840 14447.8225 253.1249 -204207.0131 2834.8845 0.0000 0.0000 52261.0975 -109817.2573 300.3452 -162078.3549 -109460.9542 298.7247 324.4991 354.7450 758400.7039 -19.3818 -19.4882 PRESSURE: 9600 189.515 -117.592 -44.0571 -117.591 -222.718 -29.4859 -44.0575 -29.4849 34.532 GPRESSURE: 9600 189.443 -76.9309 -27.9677 -169.435 -145.975 -43.0467 -62.1297 36.4724 43.927 PRESSAVG: 9600 29.9336 18.3221 47.3991 18.3221 -19.7914 -16.5039 47.3991 -16.5039 25.4619 GPRESSAVG: 9600 29.5192 18.7969 47.734 19.8069 -19.3896 -16.1829 46.8698 -13.6206 24.9069 TIMING: 9600 CPU: 30.6343, 0.00316709/step Wall: 30.6343, 0.00316709/step, 4.39029 hours remaining, 220.886719 MB of memory in use. ENERGY: 9600 4007.2294 20408.4102 14561.7199 254.8360 -203501.4390 2429.8906 0.0000 0.0000 51984.9209 -109854.4319 298.7581 -161839.3529 -109483.1017 298.6630 0.4431 29.1316 759851.0704 11.8680 11.6788 PRESSURE: 9800 77.3178 11.4203 -87.3112 11.4213 -80.5559 -70.5244 -87.3113 -70.5241 -402.782 GPRESSURE: 9800 114.104 -17.1049 -166.849 101.223 -11.1082 -67.6601 -10.7843 6.04429 -399.207 PRESSAVG: 9800 15.1828 -12.2121 -18.5374 -12.212 -68.4349 54.4625 -18.5374 54.4624 -21.6402 GPRESSAVG: 9800 14.2102 -12.0341 -19.0269 -13.714 -67.2835 55.2629 -19.6679 53.7398 -21.7763 TIMING: 9800 CPU: 31.2654, 0.00315562/step Wall: 31.2654, 0.00315562/step, 4.37422 hours remaining, 220.886719 MB of memory in use. ENERGY: 9800 4048.8202 20535.7246 14425.5661 255.9215 -203455.2301 2329.7571 0.0000 0.0000 51950.9234 -109908.5171 298.5627 -161859.4406 -109551.8187 298.5307 -135.3400 -98.7370 760344.7477 -24.9641 -24.9498 PRESSURE: 10000 240.918 16.8823 -37.4615 16.8838 -197.463 87.9249 -37.4622 87.9239 300.031 GPRESSURE: 10000 264.694 74.8691 -90.3569 -69.2045 -140.034 61.5192 20.9207 29.5173 316.147 PRESSAVG: 10000 55.2901 32.7878 -10.4894 32.7878 -57.4828 31.3758 -10.4894 31.3758 -6.82676 GPRESSAVG: 10000 56.4138 32.8543 -9.19144 32.8297 -58.2444 32.5286 -9.95528 29.0215 -7.22296 TIMING: 10000 CPU: 31.8955, 0.00315048/step Wall: 31.8955, 0.00315048/step, 4.36692 hours remaining, 220.886719 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: 10000 4011.5000 20436.7498 14458.2222 257.3938 -203805.6021 2813.2291 0.0000 0.0000 51878.3560 -109950.1511 298.1456 -161828.5071 -109588.0250 298.9058 114.4954 146.9356 758894.5172 -3.0065 -3.0179 PRESSURE: 10200 -84.5666 -62.8137 -132.177 -62.8129 107.456 -65.4822 -132.177 -65.4825 -274.995 GPRESSURE: 10200 -53.1372 -30.5773 -261.947 -197.022 173.139 -130.062 -105.329 -23.6374 -287.981 PRESSAVG: 10200 116.537 -34.5546 11.8072 -34.5547 -73.9892 -7.97489 11.8071 -7.97486 -12.3857 GPRESSAVG: 10200 115.516 -34.7478 11.1993 -33.7064 -73.5036 -9.23981 13.0671 -8.44296 -11.0536 TIMING: 10200 CPU: 32.5276, 0.0031605/step Wall: 32.5276, 0.0031605/step, 4.38063 hours remaining, 220.886719 MB of memory in use. ENERGY: 10200 4046.5712 20308.1186 14482.7852 246.2937 -203542.7528 2537.0896 0.0000 0.0000 52230.9955 -109690.8990 300.1722 -161921.8945 -109323.2892 299.0592 -84.0352 -55.9931 760293.8521 10.0542 10.3197 PRESSURE: 10400 31.429 -108.98 134.783 -108.981 -38.8008 -171.225 134.782 -171.226 144.698 GPRESSURE: 10400 52.3535 -9.11796 75.931 -218.334 13.3179 -214.114 81.9441 -109.13 155.761 PRESSAVG: 10400 0.279158 -31.0703 15.8641 -31.0703 6.97525 -91.352 15.8641 -91.3521 12.9027 GPRESSAVG: 10400 1.17871 -30.3744 16.2903 -31.0786 6.72698 -91.6644 13.221 -89.8509 12.633 TIMING: 10400 CPU: 33.1577, 0.0031507/step Wall: 33.1577, 0.0031507/step, 4.36687 hours remaining, 220.886719 MB of memory in use. ENERGY: 10400 3883.2612 20630.3519 14525.5464 242.3066 -202844.0739 2178.8036 0.0000 0.0000 51881.5553 -109502.2489 298.1640 -161383.8042 -109144.7430 299.8309 45.7755 73.8108 760610.8455 6.7190 6.8462 PRESSURE: 10600 111.666 42.4646 -45.3457 42.4648 -51.0285 371.39 -45.3462 371.39 26.9495 GPRESSURE: 10600 119.235 75.955 -25.2631 -62.008 -11.8938 317.215 -24.0608 298.334 63.536 PRESSAVG: 10600 33.4175 4.09485 23.9221 4.09485 1.94215 11.7914 23.922 11.7915 16.0863 GPRESSAVG: 10600 33.9304 3.56888 22.318 3.45798 1.64921 11.1892 28.0584 10.6462 15.5299 TIMING: 10600 CPU: 33.7925, 0.00317368/step Wall: 33.7925, 0.00317368/step, 4.39855 hours remaining, 220.886719 MB of memory in use. ENERGY: 10600 3956.3318 20452.4944 14468.4389 238.0614 -203054.3538 2259.0977 0.0000 0.0000 52174.9400 -109504.9896 299.8501 -161679.9296 -109146.2651 299.1118 29.1958 56.9592 758165.8902 17.1486 17.0365 PRESSURE: 10800 -327.902 72.5801 397.77 72.5797 -76.959 86.7261 397.77 86.7265 -4.24351 GPRESSURE: 10800 -212.29 65.7118 417.824 111.6 -136.322 193.78 443.153 17.8189 29.7592 PRESSAVG: 10800 34.9794 -23.6143 46.6091 -23.6143 -10.8941 24.4612 46.6092 24.4612 23.4916 GPRESSAVG: 10800 34.9661 -25.8032 46.5223 -25.7378 -11.3421 25.0389 45.8064 23.673 23.7152 TIMING: 10800 CPU: 34.4264, 0.00316961/step Wall: 34.4264, 0.00316961/step, 4.39273 hours remaining, 220.886719 MB of memory in use. ENERGY: 10800 3974.1000 20514.5314 14442.2188 234.7445 -203341.7219 2533.1604 0.0000 0.0000 52144.3990 -109498.5678 299.6746 -161642.9668 -109141.9598 299.7753 -136.3682 -106.2843 760622.2177 15.8589 15.7797 PRESSURE: 11000 -257.541 67.8582 101.108 67.8594 -462.377 168.576 101.108 168.575 -84.2694 GPRESSURE: 11000 -204.292 53.4036 47.4595 -71.9369 -436.502 166.735 140.583 116.808 -68.3307 PRESSAVG: 11000 -8.36369 -60.5647 102.789 -60.5647 25.1044 51.3088 102.789 51.3088 -12.9675 GPRESSAVG: 11000 -9.46584 -57.2572 104.63 -59.8841 26.1731 50.178 99.3992 51.6061 -13.0688 TIMING: 11000 CPU: 35.0608, 0.00317229/step Wall: 35.0608, 0.00317229/step, 4.39627 hours remaining, 220.886719 MB of memory in use. ENERGY: 11000 3964.9903 20453.6265 14495.7584 244.8781 -203111.0030 2370.2274 0.0000 0.0000 51972.1541 -109609.3683 298.6847 -161581.5224 -109255.1948 299.0190 -268.0625 -236.3749 761487.1178 1.2577 1.2128 PRESSURE: 11200 268.948 -6.31485 -105.735 -6.31452 -194.375 238.917 -105.735 238.917 -447.259 GPRESSURE: 11200 153.394 31.7767 -114.968 -31.3517 -55.9193 252.334 58.0489 183.106 -392.016 PRESSAVG: 11200 26.0769 -4.89708 -5.04598 -4.89715 -43.9858 71.2728 -5.04599 71.2726 -22.233 GPRESSAVG: 11200 26.1512 -6.80647 -5.50157 -3.76235 -45.1134 71.7118 -0.534915 71.1102 -21.8353 TIMING: 11200 CPU: 35.6953, 0.00317246/step Wall: 35.6953, 0.00317246/step, 4.39632 hours remaining, 220.886719 MB of memory in use. ENERGY: 11200 4010.1779 20400.6312 14441.6576 230.1422 -203809.1066 2757.4987 0.0000 0.0000 52337.7707 -109631.2283 300.7859 -161968.9990 -109267.3117 298.6152 -124.2284 -98.1806 761907.8992 -13.3807 -13.5992 PRESSURE: 11400 48.1822 -127.882 -190.315 -127.883 242.033 -36.991 -190.314 -36.9904 201.735 GPRESSURE: 11400 134.59 -110.109 -172.253 -40.3077 254.052 -99.189 -197.604 -45.3442 184.484 PRESSAVG: 11400 -53.3897 -33.1855 25.513 -33.1856 34.6738 21.4804 25.513 21.4805 17.5289 GPRESSAVG: 11400 -53.2361 -31.6059 24.7093 -33.039 34.9875 22.8519 26.5785 23.251 16.6903 TIMING: 11400 CPU: 36.3275, 0.00316078/step Wall: 36.3275, 0.00316078/step, 4.37996 hours remaining, 220.886719 MB of memory in use. ENERGY: 11400 3967.8163 20471.6428 14533.9481 247.2254 -203185.0378 2515.6163 0.0000 0.0000 52068.7489 -109380.0400 299.2398 -161448.7889 -109018.3876 299.4390 163.9833 191.0417 758750.0121 -0.3957 -0.5194 PRESSURE: 11600 260.147 80.4111 -35.3508 80.411 -401.56 -94.5948 -35.3508 -94.5945 307.461 GPRESSURE: 11600 218.276 214.22 -186.444 105.619 -264.867 -93.5265 -71.6228 -65.6803 299.773 PRESSAVG: 11600 31.1239 -46.3533 -14.3696 -46.3534 8.75283 15.1041 -14.3696 15.1041 -5.89296 GPRESSAVG: 11600 32.08 -47.399 -13.6213 -46.4223 8.34698 14.86 -17.9044 13.3412 -6.49743 TIMING: 11600 CPU: 36.9608, 0.00316672/step Wall: 36.9608, 0.00316672/step, 4.38802 hours remaining, 220.886719 MB of memory in use. ENERGY: 11600 4030.7123 20325.1185 14499.8957 259.8597 -203492.1703 2862.8132 0.0000 0.0000 51996.2427 -109517.5283 298.8231 -161513.7710 -109152.8778 298.9722 55.3494 84.3940 760981.4239 11.3279 11.3098 PRESSURE: 11800 -593.172 6.82557 234.89 6.8263 -73.5819 98.5157 234.89 98.5155 -368.212 GPRESSURE: 11800 -583.876 -19.8197 206.504 -22.3254 -25.0837 129.899 344.319 -133.032 -329.751 PRESSAVG: 11800 46.7688 -56.1024 58.9072 -56.1024 -39.881 18.9923 58.9072 18.9924 18.1853 GPRESSAVG: 11800 45.4613 -54.5131 60.6672 -54.3402 -39.9242 18.5595 58.3947 17.7373 19.3672 TIMING: 11800 CPU: 37.5901, 0.0031462/step Wall: 37.5901, 0.0031462/step, 4.35941 hours remaining, 220.886719 MB of memory in use. ENERGY: 11800 3949.3321 20651.5022 14535.7375 239.9134 -203247.0751 2252.6862 0.0000 0.0000 52219.3570 -109398.5468 300.1054 -161617.9038 -109036.6817 299.3562 -344.9889 -312.9034 761384.1101 8.3577 8.3015 PRESSURE: 12000 199.536 313.192 -7.49226 313.191 -119.961 -154.409 -7.49178 -154.408 -78.5676 GPRESSURE: 12000 156.64 311.879 0.197868 230.908 29.1882 -130.527 -39.6966 120.75 -95.4557 PRESSAVG: 12000 1.91918 10.7987 -21.4248 10.7986 -2.85559 -10.399 -21.4248 -10.399 20.807 GPRESSAVG: 12000 1.86406 7.76717 -23.8751 10.4115 -1.90352 -11.1318 -18.7559 -7.07443 19.9625 TIMING: 12000 CPU: 38.2186, 0.00314268/step Wall: 38.2186, 0.00314268/step, 4.35436 hours remaining, 220.886719 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: 12000 4003.3492 20406.3750 14509.8370 256.0875 -203093.2844 2494.1972 0.0000 0.0000 51917.4819 -109505.9565 298.3705 -161423.4384 -109152.2992 299.1893 0.3357 30.1242 763367.2072 6.6235 6.6410 PRESSURE: 12200 -57.9905 135.121 243.224 135.121 -18.1569 -93.6298 243.224 -93.6303 -78.0229 GPRESSURE: 12200 -21.0205 100.748 233.958 106.093 105.007 -105.164 242.506 -0.569629 -149.772 PRESSAVG: 12200 30.0512 -12.7515 -13.3085 -12.7515 -30.1922 9.19648 -13.3085 9.19647 4.70659 GPRESSAVG: 12200 30.4129 -10.452 -13.8867 -13.4399 -30.5733 9.57104 -16.3392 9.99608 4.89955 TIMING: 12200 CPU: 38.8522, 0.00316801/step Wall: 38.8522, 0.00316801/step, 4.38928 hours remaining, 220.886719 MB of memory in use. ENERGY: 12200 3954.1163 20377.4709 14474.9784 236.6980 -203326.4771 2546.0697 0.0000 0.0000 52153.8632 -109583.2806 299.7290 -161737.1438 -109226.2291 298.7394 -51.3901 -21.9283 761439.6543 1.5219 1.5797 LDB: ============= START OF LOAD BALANCING ============== 51.2728 LDB: ============== END OF LOAD BALANCING =============== 51.273 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.2747 LDB: ============= START OF LOAD BALANCING ============== 51.5938 LDB: Largest compute 7034 load 0.035135 is 18.1% of average load 0.194214 LDB: Average compute 0.004408 is 2.3% of average load 0.194214 LDB: TIME 51.5971 LOAD: AVG 0.194214 MAX 0.209054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 218.824 MB LDB: TIME 51.5975 LOAD: AVG 0.194214 MAX 0.209054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.027 MB LDB: TIME 51.5976 LOAD: AVG 0.194214 MAX 0.209054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.027 MB LDB: ============== END OF LOAD BALANCING =============== 51.5995 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.604 PRESSURE: 12400 116.958 -140.163 -46.5143 -140.163 425.764 40.6312 -46.515 40.63 232.534 GPRESSURE: 12400 221.953 -177.311 11.8909 -190.743 423.042 13.0613 -24.6426 -73.1953 226.861 PRESSAVG: 12400 7.11647 -47.6864 -23.6217 -47.6863 -55.0482 -8.75355 -23.6218 -8.7536 -2.59482 GPRESSAVG: 12400 6.90318 -46.9405 -22.5406 -48.4947 -54.8418 -9.08351 -23.6887 -10.5341 -2.79689 TIMING: 12400 CPU: 39.4977, 0.00322756/step Wall: 39.4977, 0.00322756/step, 4.47161 hours remaining, 218.062500 MB of memory in use. ENERGY: 12400 3918.3673 20459.4571 14543.1689 239.7330 -203507.1591 2678.2345 0.0000 0.0000 51954.6159 -109713.5825 298.5839 -161668.1984 -109352.5993 299.0033 258.4187 290.6189 760520.0444 -16.8422 -16.9118 PRESSURE: 12600 222.627 134.408 117.145 134.408 -50.9178 152.02 117.145 152.021 200.742 GPRESSURE: 12600 85.3371 150.684 61.3288 44.2099 86.2003 85.7762 134.544 236.078 275.188 PRESSAVG: 12600 -43.4891 -51.7749 -6.08858 -51.7749 61.8033 7.08541 -6.08856 7.08541 -10.8939 GPRESSAVG: 12600 -43.6209 -54.435 -6.64532 -50.9415 60.6822 6.28252 -4.1354 6.98638 -9.74636 TIMING: 12600 CPU: 40.1266, 0.00314435/step Wall: 40.1266, 0.00314435/step, 4.35615 hours remaining, 218.203125 MB of memory in use. ENERGY: 12600 3992.4326 20371.9223 14464.5550 253.6860 -203598.1306 2640.6769 0.0000 0.0000 52123.0653 -109751.7924 299.5520 -161874.8576 -109395.0442 298.6609 124.1504 148.9085 760828.6125 2.4734 2.4383 PRESSURE: 12800 5.16882 -108.509 31.1804 -108.508 67.4271 -154.582 31.1803 -154.582 -205.823 GPRESSURE: 12800 61.2364 -53.7063 63.067 -78.2079 71.6659 -122.07 81.1026 53.7892 -174.05 PRESSAVG: 12800 -30.0706 -33.8396 2.92226 -33.8396 57.7168 -8.28644 2.92221 -8.28643 9.95247 GPRESSAVG: 12800 -30.8467 -33.8165 3.17796 -32.9169 59.6342 -7.23339 2.6222 -7.3064 9.09101 TIMING: 12800 CPU: 40.7556, 0.00314482/step Wall: 40.7556, 0.00314482/step, 4.35662 hours remaining, 218.203125 MB of memory in use. ENERGY: 12800 3969.4707 20229.1370 14520.9604 254.7484 -202814.5063 2451.4406 0.0000 0.0000 51624.9300 -109763.8191 296.6892 -161388.7492 -109412.5617 298.7379 -44.4091 -13.7159 762670.7654 12.5329 12.6262 PRESSURE: 13000 59.3299 -182.853 3.10582 -182.853 337.768 -37.2748 3.10573 -37.2748 4.58668 GPRESSURE: 13000 87.0785 9.09902 -24.3072 -200.396 326.297 -65.0824 -76.9766 11.0069 72.844 PRESSAVG: 13000 -35.5049 -67.4859 13.3014 -67.4859 66.386 19.4011 13.3014 19.4011 4.40732 GPRESSAVG: 13000 -35.3277 -65.5873 13.8855 -70.8736 66.0587 21.1466 13.3218 17.9141 4.71163 TIMING: 13000 CPU: 41.3896, 0.00317028/step Wall: 41.3896, 0.00317028/step, 4.39172 hours remaining, 218.203125 MB of memory in use. ENERGY: 13000 3894.5102 20426.8582 14412.6801 272.2010 -203547.1705 2752.7425 0.0000 0.0000 52065.7259 -109722.4525 299.2224 -161788.1784 -109367.1501 297.8475 133.8948 162.0730 760952.1459 11.7628 11.8142 PRESSURE: 13200 -74.5018 104.163 -24.4731 104.164 -109.095 75.233 -24.4734 75.2336 -51.3482 GPRESSURE: 13200 -58.1387 173.59 14.2074 0.0489809 -84.5901 77.8428 -65.9733 39.0289 2.32589 PRESSAVG: 13200 40.106 -77.8123 -50.3589 -77.8123 -42.8814 3.64637 -50.359 3.64638 2.48548 GPRESSAVG: 13200 40.4192 -77.1723 -51.4747 -78.3831 -43.975 2.05677 -51.4616 3.1767 2.63745 TIMING: 13200 CPU: 42.0181, 0.00314263/step Wall: 42.0181, 0.00314263/step, 4.35325 hours remaining, 218.203125 MB of memory in use. ENERGY: 13200 3974.6805 20376.9210 14569.8215 239.0630 -203381.9175 2427.8924 0.0000 0.0000 52199.9783 -109593.5609 299.9940 -161793.5392 -109234.4690 298.8153 -78.3150 -46.8009 763761.3121 -0.0966 -0.3061 PRESSURE: 13400 40.2926 -18.9399 48.9499 -18.9403 187.799 -42.3427 48.9515 -42.3431 100.967 GPRESSURE: 13400 -6.93712 -148.943 66.922 50.1058 285.824 -20.1489 -40.9277 -112.569 109.33 PRESSAVG: 13400 -6.15666 -12.3853 26.5114 -12.3854 28.0074 -34.0071 26.5113 -34.0071 -3.7846 GPRESSAVG: 13400 -7.37592 -14.6949 28.4204 -10.9537 28.4976 -33.5418 26.7905 -32.0774 -2.93649 TIMING: 13400 CPU: 42.6492, 0.0031551/step Wall: 42.6492, 0.00315511/step, 4.37035 hours remaining, 218.203125 MB of memory in use. ENERGY: 13400 4009.6346 20435.2888 14541.7872 219.8011 -203303.2229 2675.3114 0.0000 0.0000 52043.5624 -109377.8374 299.0951 -161421.3998 -109013.9990 299.0946 109.6861 129.4055 762049.9022 6.0220 6.0617 PRESSURE: 13600 35.5556 14.8308 84.0301 14.8313 33.6551 427.543 84.0295 427.543 -190.091 GPRESSURE: 13600 89.0534 -24.0189 124.277 -11.303 87.1641 418.954 3.31028 428.117 -216.885 PRESSAVG: 13600 20.1425 -62.1071 -2.64628 -62.1071 -11.4532 77.6695 -2.64629 77.6695 -10.1409 GPRESSAVG: 13600 20.9364 -62.314 -4.77425 -63.0017 -11.3882 78.3847 -1.5222 75.2776 -10.8343 TIMING: 13600 CPU: 43.2794, 0.00315135/step Wall: 43.2794, 0.00315135/step, 4.36497 hours remaining, 218.203125 MB of memory in use. ENERGY: 13600 4049.8858 20334.8940 14477.3615 249.9906 -203358.5127 2663.0703 0.0000 0.0000 52331.0001 -109252.3103 300.7470 -161583.3104 -108895.8472 299.3708 -40.2935 -13.5560 762634.7624 -0.4839 -0.4287 PRESSURE: 13800 -258.025 -181.89 -156.419 -181.89 -5.68828 -104.25 -156.418 -104.249 -282.466 GPRESSURE: 13800 -253.734 -149.591 -261.955 -116.978 -14.1434 27.0755 -130.439 -61.4881 -171.352 PRESSAVG: 13800 5.39852 -15.8824 -55.276 -15.8824 -23.8619 -17.3872 -55.2761 -17.3872 -16.518 GPRESSAVG: 13800 4.44348 -14.4121 -54.9004 -14.7362 -24.9441 -19.8859 -55.7231 -15.0925 -14.4404 TIMING: 13800 CPU: 43.9058, 0.00313182/step Wall: 43.9058, 0.00313182/step, 4.33774 hours remaining, 218.203125 MB of memory in use. ENERGY: 13800 3973.0929 20528.0098 14445.8374 245.7494 -202943.7420 2497.4976 0.0000 0.0000 52032.1401 -109221.4149 299.0294 -161253.5549 -108858.6036 299.5508 -182.0598 -146.4098 763903.5999 -11.6605 -11.6470 PRESSURE: 14000 -380.583 -402.042 -173.296 -402.041 -81.6198 117.944 -173.296 117.945 33.2059 GPRESSURE: 14000 -305.833 -351.882 -155.856 -253.403 6.53595 114.711 -77.342 169.216 -19.1306 PRESSAVG: 14000 14.4359 -13.6291 -25.7491 -13.6291 -6.24989 1.46912 -25.7491 1.46909 7.81001 GPRESSAVG: 14000 16.7347 -12.4352 -25.0116 -13.751 -5.57362 2.54998 -25.9402 -0.894304 5.39763 TIMING: 14000 CPU: 44.539, 0.00316575/step Wall: 44.539, 0.00316575/step, 4.38457 hours remaining, 218.203125 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: 14000 3973.4552 20325.0763 14558.1181 257.5752 -202907.7363 2548.8457 0.0000 0.0000 52045.7462 -109198.9196 299.1076 -161244.6658 -108829.2930 299.1636 -142.9989 -106.1425 763291.0273 5.3320 5.5196 PRESSURE: 14200 -373.451 -20.4032 92.1145 -20.4029 -464.747 -134.707 92.1141 -134.707 296.521 GPRESSURE: 14200 -305.531 -105.515 95.1646 -71.6758 -449.739 -60.3205 139.871 -49.8838 287.195 PRESSAVG: 14200 28.6205 -80.5369 -14.7078 -80.5368 0.401015 8.33437 -14.7078 8.33443 -17.6842 GPRESSAVG: 14200 26.6131 -80.3962 -16.0352 -80.3436 1.66534 8.79956 -13.828 11.406 -16.9583 TIMING: 14200 CPU: 45.1734, 0.00317223/step Wall: 45.1734, 0.00317223/step, 4.39336 hours remaining, 218.203125 MB of memory in use. ENERGY: 14200 3934.7328 20288.0658 14531.7896 247.3933 -202601.1780 2299.0284 0.0000 0.0000 51929.9061 -109370.2620 298.4419 -161300.1681 -109011.8901 299.2385 -180.5590 -156.0250 763457.9597 3.7791 3.7734 PRESSURE: 14400 -113.597 147.099 -123.462 147.099 -241.859 -219.655 -123.462 -219.655 -252.366 GPRESSURE: 14400 -7.49589 65.4164 -149.088 117.993 -315.364 -238.398 -59.6166 -352.713 -215.072 PRESSAVG: 14400 30.5165 -1.74946 -4.03442 -1.74944 -29.8989 -23.8917 -4.03436 -23.8917 17.1398 GPRESSAVG: 14400 31.406 -3.3522 -2.23957 -3.09744 -31.2136 -25.9205 -4.21053 -25.0971 17.2917 TIMING: 14400 CPU: 45.8084, 0.00317519/step Wall: 45.8084, 0.00317519/step, 4.39729 hours remaining, 218.203125 MB of memory in use. ENERGY: 14400 4058.6665 20412.3895 14387.8151 235.4425 -203239.0581 2545.7178 0.0000 0.0000 52335.5416 -109263.4850 300.7731 -161599.0266 -108892.6627 299.5022 -202.6072 -179.3106 761883.6840 5.9191 5.8280 PRESSURE: 14600 194.456 15.4936 -11.7284 15.4941 371.619 -14.6009 -11.7274 -14.6014 147.962 GPRESSURE: 14600 243.448 -77.2734 13.2004 45.3423 370.817 15.7062 -65.8901 -4.43887 194.064 PRESSAVG: 14600 -10.1888 -13.1597 20.768 -13.1596 -21.9861 -16.7601 20.768 -16.7601 29.9776 GPRESSAVG: 14600 -9.97016 -12.2037 19.2874 -12.6306 -20.8106 -16.1083 19.7626 -16.683 28.8666 TIMING: 14600 CPU: 46.4408, 0.003162/step Wall: 46.4408, 0.003162/step, 4.37884 hours remaining, 218.203125 MB of memory in use. ENERGY: 14600 3943.4801 20465.9693 14425.8252 227.8122 -203305.7864 2862.9768 0.0000 0.0000 51878.6397 -109501.0832 298.1473 -161379.7228 -109150.4372 298.8462 238.0122 269.4426 761406.7678 -0.7324 -0.6381 PRESSURE: 14800 162.595 -49.9713 -293.123 -49.9713 -58.0882 -10.7319 -293.123 -10.7318 -390.562 GPRESSURE: 14800 133.742 34.156 -223.636 -93.3577 24.4696 -5.85324 -381.207 28.4403 -354.594 PRESSAVG: 14800 0.512374 2.30219 -42.9641 2.30219 -3.19429 -7.53971 -42.9641 -7.53975 -11.2845 GPRESSAVG: 14800 -0.687524 1.12325 -41.2292 3.40324 -3.58787 -6.5943 -42.1159 -6.96398 -9.75004 TIMING: 14800 CPU: 47.0732, 0.00316192/step Wall: 47.0732, 0.00316192/step, 4.37856 hours remaining, 218.203125 MB of memory in use. ENERGY: 14800 3964.8074 20567.0283 14484.8968 254.3054 -203319.7201 2744.1710 0.0000 0.0000 52021.8428 -109282.6683 298.9702 -161304.5111 -108925.0875 298.9648 -95.3516 -65.4606 761186.7131 -4.6555 -4.6751 PRESSURE: 15000 281.91 189.985 64.1509 189.984 -103.328 -115.348 64.1505 -115.348 15.1943 GPRESSURE: 15000 314.543 116.451 -28.9077 202.938 -17.0806 -76.0154 4.74337 -192.191 -11.612 PRESSAVG: 15000 43.4317 -5.22998 -32.387 -5.22993 12.3275 -14.6307 -32.387 -14.6308 -16.3965 GPRESSAVG: 15000 43.864 -4.13292 -33.035 -5.65637 12.9607 -14.1296 -33.0175 -13.7047 -17.1225 TIMING: 15000 CPU: 47.7114, 0.0031908/step Wall: 47.7114, 0.0031908/step, 4.41837 hours remaining, 218.203125 MB of memory in use. ENERGY: 15000 3963.5886 20390.6042 14488.5781 244.4913 -202763.1152 2374.2108 0.0000 0.0000 51919.4091 -109382.2331 298.3816 -161301.6422 -109025.2044 298.8890 64.5920 95.2836 762124.2677 13.1209 13.2341 PRESSURE: 15200 -500.166 -99.6084 128.948 -99.6085 -28.1539 -13.5821 128.948 -13.5821 -278.69 GPRESSURE: 15200 -469.102 -77.7689 285.684 -95.3412 -67.8037 -19.0137 -41.2148 33.2969 -166.916 PRESSAVG: 15200 0.403074 -0.102853 -12.8528 -0.102848 -8.39279 -4.60168 -12.8528 -4.60178 24.4555 GPRESSAVG: 15200 0.609306 0.424016 -13.1068 -0.524735 -9.42913 -4.29986 -13.3088 -6.67091 25.5319 TIMING: 15200 CPU: 48.3438, 0.003162/step Wall: 48.3438, 0.003162/step, 4.37832 hours remaining, 218.203125 MB of memory in use. ENERGY: 15200 3911.0237 20447.4323 14436.8324 236.0356 -203081.0236 2552.4941 0.0000 0.0000 51970.7564 -109526.4490 298.6767 -161497.2055 -109170.3075 299.0403 -269.0031 -234.6070 762072.5308 5.4886 5.5707 PRESSURE: 15400 -114.937 -114.711 -104.741 -114.711 69.4064 -58.1695 -104.741 -58.1691 -162.939 GPRESSURE: 15400 -48.5115 -178.278 -231.05 -115.419 162.64 -130.323 -141.371 -46.6249 -211.629 PRESSAVG: 15400 26.3751 -19.5342 18.8695 -19.5343 -51.7428 -36.4321 18.8695 -36.4321 -27.6472 GPRESSAVG: 15400 26.5001 -18.8187 18.6633 -17.9134 -50.5635 -36.4495 19.9291 -36.9134 -28.9164 TIMING: 15400 CPU: 48.982, 0.0031912/step Wall: 48.982, 0.0031912/step, 4.41857 hours remaining, 218.203125 MB of memory in use. ENERGY: 15400 3988.0020 20443.9355 14444.8612 245.1927 -202806.9193 2266.1127 0.0000 0.0000 52124.8488 -109293.9665 299.5622 -161418.8153 -108929.5030 299.2648 -69.4899 -32.5001 760471.6489 -17.6716 -17.6600 PRESSURE: 15600 48.362 -208.609 179.662 -208.609 569.435 -163.034 179.663 -163.035 314.679 GPRESSURE: 15600 154.971 -260.488 99.7255 -181.616 509.417 -102.956 113.129 -177.307 356.548 PRESSAVG: 15600 26.4487 -64.16 6.82954 -64.1601 -4.17489 -59.9918 6.8295 -59.9918 12.5794 GPRESSAVG: 15600 25.2092 -64.3554 4.13344 -64.7721 -4.0698 -59.8694 7.18142 -58.5349 13.1185 TIMING: 15600 CPU: 49.6204, 0.00319206/step Wall: 49.6204, 0.00319206/step, 4.41959 hours remaining, 218.203125 MB of memory in use. ENERGY: 15600 3916.4895 20514.1716 14587.7276 237.4342 -202994.3960 2642.6078 0.0000 0.0000 52118.1872 -108977.7782 299.5239 -161095.9654 -108620.1228 299.9239 310.8255 340.3120 760725.9206 11.6177 11.4193 PRESSURE: 15800 73.5364 84.8346 71.0861 84.8351 47.2667 -271.256 71.0857 -271.256 -72.8031 GPRESSURE: 15800 139.393 108.877 101.456 -28.3029 21.6173 -388.388 48.5081 -188.39 -23.4404 PRESSAVG: 15800 38.9253 -53.0868 -12.8131 -53.0868 -30.2873 -16.9394 -12.8131 -16.9393 -1.06961 GPRESSAVG: 15800 39.6061 -53.763 -12.1288 -54.5019 -30.8031 -16.5589 -11.7848 -18.3828 -1.1607 TIMING: 15800 CPU: 50.2643, 0.00321931/step Wall: 50.2643, 0.00321931/step, 4.45713 hours remaining, 218.203125 MB of memory in use. ENERGY: 15800 3951.2775 20600.1006 14499.8581 242.7131 -202699.7683 2434.2928 0.0000 0.0000 52191.1734 -108780.3528 299.9434 -160971.5262 -108418.6824 299.8070 16.0000 45.8565 761724.4677 2.5228 2.5475 PRESSURE: 16000 169.16 -105.086 -139.642 -105.085 415.486 220.901 -139.642 220.9 397.404 GPRESSURE: 16000 333.338 32.1602 -106.362 -66.3816 350.973 224.897 -162.967 327.258 380.186 PRESSAVG: 16000 34.3774 -33.5636 36.4951 -33.5636 -36.4461 22.2163 36.4951 22.2163 14.7549 GPRESSAVG: 16000 33.6658 -32.2956 37.1215 -32.0854 -36.7485 22.1631 35.2746 24.2678 15.6787 TIMING: 16000 CPU: 50.8983, 0.00317002/step Wall: 50.8983, 0.00317002/step, 4.38871 hours remaining, 218.203125 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: 16000 3969.6753 20510.0662 14511.0789 246.1042 -202973.1465 2531.6749 0.0000 0.0000 52471.6830 -108732.8641 301.5555 -161204.5471 -108367.1113 300.6101 327.3497 354.8319 759102.8000 4.2287 4.1987 PRESSURE: 16200 321.73 -57.4157 -99.9484 -57.4159 6.342 -213.181 -99.9486 -213.18 -144.192 GPRESSURE: 16200 272.958 -256.348 -163.822 -131.682 121.856 -277.124 31.3841 -51.703 -114.125 PRESSAVG: 16200 59.2931 -21.9127 -2.03523 -21.9126 -71.0182 -19.1509 -2.03525 -19.1509 9.60129 GPRESSAVG: 16200 59.7005 -21.948 -1.27132 -24.6933 -70.845 -19.3102 -0.178877 -21.5613 9.17462 TIMING: 16200 CPU: 51.538, 0.00319864/step Wall: 51.538, 0.00319864/step, 4.42816 hours remaining, 218.203125 MB of memory in use. ENERGY: 16200 3987.2822 20542.0255 14526.5758 264.5608 -202860.4337 2524.9398 0.0000 0.0000 52203.8932 -108811.1565 300.0165 -161015.0497 -108454.4472 300.5088 61.2933 93.5630 761528.6929 -0.7079 -0.6566 LDB: ============= START OF LOAD BALANCING ============== 63.9653 LDB: ============== END OF LOAD BALANCING =============== 63.9655 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.9671 LDB: ============= START OF LOAD BALANCING ============== 64.2874 LDB: Largest compute 7046 load 0.033844 is 17.4% of average load 0.194294 LDB: Average compute 0.004417 is 2.3% of average load 0.194294 LDB: TIME 64.2908 LOAD: AVG 0.194294 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.32 MB LDB: TIME 64.2912 LOAD: AVG 0.194294 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.32 MB LDB: TIME 64.2913 LOAD: AVG 0.194294 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.32 MB LDB: ============== END OF LOAD BALANCING =============== 64.2931 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 64.2981 PRESSURE: 16400 -368.408 -173.761 26.4592 -173.762 179.069 -179.559 26.4584 -179.559 42.3329 GPRESSURE: 16400 -242.058 -84.1164 -20.5883 -152.57 126.017 -241.271 39.3739 -103.927 55.722 PRESSAVG: 16400 68.1922 -64.1379 0.129235 -64.1379 -15.3298 -76.4497 0.129154 -76.4496 0.183445 GPRESSAVG: 16400 68.8766 -64.3018 -1.39191 -62.1111 -14.9014 -75.4746 -1.60386 -75.0035 -0.580618 TIMING: 16400 CPU: 52.192, 0.0032697/step Wall: 52.192, 0.0032697/step, 4.52636 hours remaining, 220.441406 MB of memory in use. ENERGY: 16400 4038.3509 20740.8103 14491.7863 242.7636 -202686.8705 2172.3791 0.0000 0.0000 52127.5177 -108873.2626 299.5776 -161000.7802 -108509.1326 300.3155 -49.0021 -20.1062 761110.7194 17.6820 17.7982 PRESSURE: 16600 318.112 -165.915 29.5554 -165.916 6.07482 79.3187 29.5558 79.3191 -158.33 GPRESSURE: 16600 316.289 -240.369 68.8017 -114.437 105.695 107.44 21.3138 22.8659 -192.916 PRESSAVG: 16600 21.6617 -76.2439 28.8194 -76.2439 -54.8267 -56.3286 28.8194 -56.3286 -15.0742 GPRESSAVG: 16600 21.1789 -76.5247 30.7199 -77.1639 -54.5982 -57.024 27.8676 -56.3578 -14.337 TIMING: 16600 CPU: 52.8281, 0.00318072/step Wall: 52.8281, 0.00318072/step, 4.40301 hours remaining, 220.441406 MB of memory in use. ENERGY: 16600 4026.3149 20601.4042 14476.5640 259.0805 -203265.3170 2769.7201 0.0000 0.0000 52274.9338 -108857.2995 300.4248 -161132.2333 -108497.5402 300.7139 55.2858 76.3563 760836.8320 -16.0798 -15.9188 PRESSURE: 16800 -173.505 106.292 -27.8036 106.292 -47.4388 30.8393 -27.8033 30.84 -30.336 GPRESSURE: 16800 -185.344 157.516 -42.143 71.6866 31.9714 19.4369 -18.395 133.329 -4.20319 PRESSAVG: 16800 30.0257 -85.5535 56.5228 -85.5535 7.83574 22.3241 56.5229 22.324 -4.59926 GPRESSAVG: 16800 29.9023 -84.3565 55.0806 -86.3769 8.61275 22.8131 56.5735 21.3198 -5.19928 TIMING: 16800 CPU: 53.4584, 0.00315124/step Wall: 53.4584, 0.00315124/step, 4.36202 hours remaining, 220.441406 MB of memory in use. ENERGY: 16800 3978.0977 20634.4925 14462.2045 247.2109 -202787.4245 2383.1008 0.0000 0.0000 52255.5835 -108826.7347 300.3136 -161082.3181 -108475.6761 300.5679 -83.7601 -52.5252 761581.4460 11.0874 11.1053 PRESSURE: 17000 -142.955 -176.801 113.449 -176.801 -65.3542 134.473 113.449 134.472 -45.2711 GPRESSURE: 17000 -130.393 -259.268 139.701 -101.607 -20.7919 147.24 72.5938 123.489 -18.6254 PRESSAVG: 17000 -18.9924 -78.6422 19.6926 -78.6422 43.3997 -7.38711 19.6926 -7.38704 11.6365 GPRESSAVG: 17000 -18.8194 -79.1942 20.4473 -75.6419 41.171 -7.07764 18.9769 -7.56775 13.7446 TIMING: 17000 CPU: 54.0916, 0.00316605/step Wall: 54.0916, 0.00316605/step, 4.38234 hours remaining, 220.441406 MB of memory in use. ENERGY: 17000 4026.9070 20362.9602 14525.7546 255.7474 -203432.9861 3007.8570 0.0000 0.0000 52324.2168 -108929.5431 300.7080 -161253.7600 -108564.6838 300.1574 -84.5268 -56.6033 761347.0615 12.0146 12.0321 PRESSURE: 17200 -359.434 -95.8842 164.948 -95.8841 -107.208 74.6045 164.948 74.6035 -417.188 GPRESSURE: 17200 -270.35 82.975 152.766 -131.708 -71.9739 92.2599 210.848 28.5153 -427.314 PRESSAVG: 17200 30.2538 -111.124 17.0642 -111.124 -50.5926 7.27541 17.0642 7.27544 10.5187 GPRESSAVG: 17200 30.1674 -111.46 17.2138 -112.399 -47.9106 7.24426 17.7567 8.06755 8.3491 TIMING: 17200 CPU: 54.7329, 0.00320676/step Wall: 54.7329, 0.00320676/step, 4.43851 hours remaining, 220.441406 MB of memory in use. ENERGY: 17200 4011.1342 20416.1942 14519.2940 269.6091 -202527.3241 2291.6084 0.0000 0.0000 52072.6530 -108946.8312 299.2623 -161019.4841 -108591.7824 300.1742 -294.6100 -256.5459 761812.2666 -3.2734 -3.1314 PRESSURE: 17400 -230.997 -96.4292 -218.035 -96.4286 -45.7038 -225.339 -218.034 -225.339 -219.434 GPRESSURE: 17400 -277.538 -35.1906 -137.105 -196.362 -12.5748 -148.934 -254.657 -283.922 -110.648 PRESSAVG: 17400 -10.9991 -111.284 7.09733 -111.284 10.0724 35.1242 7.09725 35.1242 7.38419 GPRESSAVG: 17400 -11.6957 -110.919 7.94937 -112.675 9.53942 34.0305 7.61256 32.3622 8.93855 TIMING: 17400 CPU: 55.3765, 0.00321785/step Wall: 55.3765, 0.00321785/step, 4.45368 hours remaining, 220.441406 MB of memory in use. ENERGY: 17400 4000.1591 20459.3856 14437.0578 265.4144 -202758.3954 2381.4588 0.0000 0.0000 52010.0565 -109204.8633 298.9025 -161214.9198 -108845.8056 299.3961 -165.3783 -133.5868 761553.0354 2.1525 2.2608 PRESSURE: 17600 -95.2865 -122.736 -245.836 -122.735 94.7477 -41.0171 -245.836 -41.0157 -140.501 GPRESSURE: 17600 -3.32751 -128.38 -148.875 -170.328 33.5602 -50.1302 -253.669 99.8311 -112.061 PRESSAVG: 17600 15.1463 -94.5397 -37.3755 -94.5397 -33.8064 -19.699 -37.3755 -19.699 -9.60246 GPRESSAVG: 17600 15.2048 -94.9505 -38.1889 -94.1742 -33.8 -19.7697 -40.1634 -17.69 -10.3509 TIMING: 17600 CPU: 56.0112, 0.0031734/step Wall: 56.0112, 0.0031734/step, 4.39199 hours remaining, 220.441406 MB of memory in use. ENERGY: 17600 4068.7340 20572.4220 14510.0508 242.2874 -202957.1456 2563.3191 0.0000 0.0000 51911.5664 -109088.7658 298.3365 -161000.3322 -108729.7336 299.5227 -47.0132 -27.2763 761159.8068 -9.4209 -9.6487 PRESSURE: 17800 81.5362 -155.533 -20.9213 -155.533 14.2459 28.1529 -20.921 28.1522 41.0064 GPRESSURE: 17800 114.787 -142.282 -11.1612 -30.6066 78.737 97.5649 46.1597 -10.0915 17.358 PRESSAVG: 17800 14.4425 -66.7585 -11.7026 -66.7585 -44.3838 37.211 -11.7026 37.211 2.78077 GPRESSAVG: 17800 14.9859 -65.2325 -11.9716 -66.6989 -44.0373 37.9072 -11.2332 37.1045 1.82613 TIMING: 17800 CPU: 56.641, 0.00314904/step Wall: 56.641, 0.00314904/step, 4.3581 hours remaining, 220.441406 MB of memory in use. ENERGY: 17800 3999.0767 20638.4346 14473.5957 251.9269 -202800.8229 2268.6489 0.0000 0.0000 52027.5374 -109141.6027 299.0030 -161169.1400 -108790.1981 300.1662 45.5961 70.2939 762570.8559 -9.0535 -9.0751 PRESSURE: 18000 -203.308 -13.6431 -26.2422 -13.6438 -8.04742 104.835 -26.2432 104.835 95.9563 GPRESSURE: 18000 -103.733 -19.0977 22.7666 -11.7709 -35.7688 137.665 -68.3811 16.2579 115.905 PRESSAVG: 18000 40.5013 -87.6187 -36.6079 -87.6186 5.24046 -51.971 -36.6079 -51.971 -19.426 GPRESSAVG: 18000 39.8523 -88.8119 -36.8756 -86.1376 4.96996 -52.0357 -33.9403 -52.4696 -18.3392 TIMING: 18000 CPU: 57.2729, 0.00315955/step Wall: 57.2729, 0.00315955/step, 4.37247 hours remaining, 220.441406 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: 18000 3891.7245 20552.0293 14467.0011 263.3713 -202915.2667 2421.4889 0.0000 0.0000 52089.9675 -109229.6841 299.3618 -161319.6516 -108873.4438 299.7951 -38.4664 -7.8656 761479.9008 8.7719 8.8277 PRESSURE: 18200 -233.594 -255.771 -86.755 -255.771 -234.122 127.454 -86.7544 127.455 -250.294 GPRESSURE: 18200 -164.514 -255.056 -52.9771 -238.641 -216.463 75.9744 -236.513 103.456 -264.3 PRESSAVG: 18200 84.7986 -74.2044 13.0973 -74.2044 -4.63428 -1.16209 13.0973 -1.16212 16.6543 GPRESSAVG: 18200 85.3328 -74.1795 13.5226 -74.9917 -5.24387 -0.514936 11.0362 -2.95357 16.3592 TIMING: 18200 CPU: 57.9044, 0.00315731/step Wall: 57.9044, 0.00315731/step, 4.36919 hours remaining, 220.441406 MB of memory in use. ENERGY: 18200 3912.7195 20562.2254 14546.6483 245.4589 -202816.0573 2379.4762 0.0000 0.0000 51883.7349 -109285.7941 298.1765 -161169.5291 -108919.7226 299.2708 -239.3367 -215.0924 762386.3010 32.2729 32.1494 PRESSURE: 18400 317.297 -61.7024 -167.444 -61.7027 312.178 113.394 -167.444 113.393 81.9678 GPRESSURE: 18400 342.378 -151.297 -147.871 -118.891 358.078 150.007 -33.7899 172.625 87.775 PRESSAVG: 18400 50.1465 -17.1625 -64.4578 -17.1625 -22.9815 68.6859 -64.4579 68.6858 7.27199 GPRESSAVG: 18400 48.4985 -16.8033 -63.3423 -18.0283 -22.4965 69.7743 -63.303 70.6726 7.58417 TIMING: 18400 CPU: 58.5348, 0.00315217/step Wall: 58.5348, 0.00315217/step, 4.36191 hours remaining, 220.441406 MB of memory in use. ENERGY: 18400 3999.7895 20487.1217 14537.5633 253.6637 -203453.6014 2779.6908 0.0000 0.0000 52148.6766 -109247.0958 299.6992 -161395.7724 -108885.4700 299.6876 237.1474 262.7437 762203.5163 11.4790 11.1954 PRESSURE: 18600 -587.002 -14.697 -90.1083 -14.6973 -242.892 204.073 -90.1092 204.074 -328.54 GPRESSURE: 18600 -470.26 -142.979 -10.56 76.4983 -203.642 238.167 -194.142 101.278 -380.627 PRESSAVG: 18600 -3.1049 -2.29762 -23.8161 -2.29759 -19.0224 49.392 -23.8161 49.392 10.3827 GPRESSAVG: 18600 -2.64396 -2.23104 -24.2417 -0.911889 -19.3646 47.3234 -22.7538 50.1953 10.2516 TIMING: 18600 CPU: 59.1661, 0.00315673/step Wall: 59.1661, 0.00315674/step, 4.36805 hours remaining, 220.441406 MB of memory in use. ENERGY: 18600 4019.2897 20405.6544 14530.5274 280.1036 -203274.7529 2550.0303 0.0000 0.0000 52153.7340 -109335.4134 299.7282 -161489.1475 -108962.6099 299.3608 -386.1446 -351.5095 763694.7958 -3.9149 -3.9190 PRESSURE: 18800 -123.237 -43.3797 148.7 -43.3791 -85.4264 86.3793 148.7 86.3795 167.891 GPRESSURE: 18800 -42.7154 34.3204 165.266 57.6135 12.3938 164.09 130.988 -6.32876 74.6542 PRESSAVG: 18800 -7.34226 -40.6325 -35.1728 -40.6325 -17.6068 -11.7781 -35.1728 -11.778 -15.8207 GPRESSAVG: 18800 -8.36683 -39.7712 -36.059 -40.5021 -16.8257 -10.4722 -37.2472 -11.9573 -16.0889 TIMING: 18800 CPU: 59.8004, 0.00317113/step Wall: 59.8004, 0.00317113/step, 4.38779 hours remaining, 220.441406 MB of memory in use. ENERGY: 18800 4019.5428 20552.8202 14477.3145 243.4179 -203083.8456 2430.8985 0.0000 0.0000 51972.7956 -109387.0561 298.6884 -161359.8517 -109037.9721 299.2852 -13.5905 14.7776 762279.9409 -13.5899 -13.7605 PRESSURE: 19000 29.5126 -121.117 -304.766 -121.117 -110.639 -166.921 -304.767 -166.921 -42.942 GPRESSURE: 19000 104.625 -126.124 -250.482 -206.102 -93.6286 -97.5848 -309.56 -87.1367 -26.2316 PRESSAVG: 19000 50.9869 -101.006 0.290896 -101.006 -12.0593 -4.0623 0.290931 -4.06228 19.4195 GPRESSAVG: 19000 51.0368 -102.104 0.336387 -98.9183 -12.8401 -4.48267 2.97161 -4.05881 20.0699 TIMING: 19000 CPU: 60.4371, 0.00318384/step Wall: 60.4371, 0.00318384/step, 4.4052 hours remaining, 220.441406 MB of memory in use. ENERGY: 19000 4076.1294 20443.9790 14474.8698 238.2085 -203736.5664 2950.9536 0.0000 0.0000 52397.8744 -109154.5518 301.1313 -161552.4262 -108791.9551 299.8743 -41.3561 -5.0783 760795.3720 19.4490 19.4222 PRESSURE: 19200 -181.365 81.9598 100.212 81.9588 -480.481 -55.9303 100.212 -55.9293 -140.908 GPRESSURE: 19200 -122.098 -4.75141 123.39 65.5918 -468.61 -60.1678 -31.7032 83.343 -130.456 PRESSAVG: 19200 33.5814 -20.9278 -22.5152 -20.9277 -21.6318 -24.9993 -22.5152 -24.9992 8.30663 GPRESSAVG: 19200 34.6967 -20.5268 -22.5219 -22.9058 -22.3628 -25.2594 -24.2038 -24.5039 7.35648 TIMING: 19200 CPU: 61.0777, 0.0032026/step Wall: 61.0776, 0.0032026/step, 4.43098 hours remaining, 220.441406 MB of memory in use. ENERGY: 19200 4039.9448 20541.1964 14540.2985 230.7117 -203448.8586 2491.1054 0.0000 0.0000 52445.7162 -109159.8856 301.4063 -161605.6018 -108779.6127 300.1712 -267.5847 -240.3880 762059.4316 6.7521 6.5635 PRESSURE: 19400 -28.3175 -65.3245 189.001 -65.3244 -204.106 108.816 189 108.817 26.4066 GPRESSURE: 19400 -89.8045 -181.404 182.668 -31.0479 -129.613 27.1686 248.991 92.2274 97.0035 PRESSAVG: 19400 22.4807 -9.36179 11.8981 -9.36183 -26.7026 -19.1243 11.898 -19.1242 6.63693 GPRESSAVG: 19400 20.7594 -11.8454 11.6391 -8.2521 -26.1198 -19.0815 12.7449 -19.9057 7.41852 TIMING: 19400 CPU: 61.7106, 0.00316494/step Wall: 61.7106, 0.00316494/step, 4.3787 hours remaining, 220.441406 MB of memory in use. ENERGY: 19400 3907.2945 20668.7274 14513.9926 244.5188 -203609.4883 2952.1938 0.0000 0.0000 52179.1506 -109143.6106 299.8743 -161322.7612 -108770.2524 299.9196 -68.6724 -40.8046 762790.7443 0.8050 0.6861 PRESSURE: 19600 50.5137 57.1951 2.16757 57.1951 -6.83103 49.3102 2.16876 49.3093 -539.548 GPRESSURE: 19600 127.102 105.438 -57.4551 7.25008 -99.0091 69.8427 -60.6323 -151.123 -429.806 PRESSAVG: 19600 25.606 -33.3261 32.6068 -33.3261 -15.7588 9.08777 32.6068 9.08775 15.457 GPRESSAVG: 19600 25.8643 -30.6918 33.6525 -34.8534 -16.7667 8.79967 34.5065 7.92492 16.0637 TIMING: 19600 CPU: 62.341, 0.00315198/step Wall: 62.341, 0.00315198/step, 4.36059 hours remaining, 220.441406 MB of memory in use. ENERGY: 19600 4007.5257 20531.8781 14443.5845 250.4904 -203223.9364 2582.1818 0.0000 0.0000 52289.8064 -109118.4696 300.5102 -161408.2760 -108747.2511 299.9678 -165.2885 -133.9043 762699.2703 8.4347 8.3871 PRESSURE: 19800 137.214 -63.1607 0.174459 -63.1617 -47.5384 57.26 0.175721 57.2596 -276.268 GPRESSURE: 19800 180.849 -176.705 -8.93177 -55.0344 3.98773 23.0496 209.236 9.37066 -273.905 PRESSAVG: 19800 -4.47269 -70.5797 -6.66959 -70.5796 -3.19803 24.4466 -6.66969 24.4466 -2.19592 GPRESSAVG: 19800 -3.49079 -72.3083 -6.647 -69.8895 -3.31407 26.0211 -9.37441 24.9933 -2.63194 TIMING: 19800 CPU: 62.9692, 0.0031409/step Wall: 62.9692, 0.0031409/step, 4.34509 hours remaining, 220.441406 MB of memory in use. ENERGY: 19800 3998.6211 20469.9914 14469.7999 258.5482 -203271.9417 2622.5128 0.0000 0.0000 52205.9635 -109246.5048 300.0284 -161452.4684 -108886.2385 299.2983 -62.1974 -29.6895 761801.9489 -3.2889 -3.1456 PRESSURE: 20000 -0.211081 -194.795 127.181 -194.796 -446.476 -61.5298 127.181 -61.5306 -462.947 GPRESSURE: 20000 -33.415 -148.322 230.499 -95.9331 -331.763 27.7882 -14.9223 -127.67 -447.033 PRESSAVG: 20000 2.04531 -53.5359 12.3659 -53.5359 -14.9204 -16.2849 12.3659 -16.2849 13.2782 GPRESSAVG: 20000 2.16923 -52.4219 11.627 -55.0837 -13.793 -17.1763 13.6605 -16.4344 12.2662 TIMING: 20000 CPU: 63.6014, 0.00316076/step Wall: 63.6014, 0.00316076/step, 4.37238 hours remaining, 220.441406 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: 20000 4066.9188 20432.2481 14483.0549 251.6610 -203304.2355 2572.4227 0.0000 0.0000 52130.7608 -109367.1691 299.5962 -161497.9299 -109008.2459 299.3669 -303.2114 -270.7370 761590.5936 0.1344 0.2141 PRESSURE: 20200 -43.5965 6.93404 212.761 6.93421 74.3452 -223.58 212.76 -223.581 -275.45 GPRESSURE: 20200 -31.6979 -47.8423 195.208 40.6617 120.072 -156.477 181.15 -188.413 -235.526 PRESSAVG: 20200 19.4729 -35.118 69.9769 -35.118 -11.3503 -10.7424 69.9769 -10.7424 10.032 GPRESSAVG: 20200 18.0879 -32.9896 70.3834 -34.2564 -10.3443 -11.1834 69.2597 -8.95727 10.4693 TIMING: 20200 CPU: 64.2291, 0.00313881/step Wall: 64.2291, 0.00313881/step, 4.34184 hours remaining, 220.441406 MB of memory in use. ENERGY: 20200 4009.5302 20692.1283 14510.0641 243.8839 -203365.7041 2625.8863 0.0000 0.0000 52095.8932 -109188.3181 299.3958 -161284.2113 -108818.9275 299.4292 -81.5671 -49.0507 762434.5345 6.0515 6.0710 LDB: ============= START OF LOAD BALANCING ============== 76.6494 LDB: ============== END OF LOAD BALANCING =============== 76.6496 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.6513 LDB: ============= START OF LOAD BALANCING ============== 76.9656 LDB: Largest compute 7059 load 0.036610 is 18.8% of average load 0.194299 LDB: Average compute 0.004422 is 2.3% of average load 0.194299 LDB: TIME 76.9691 LOAD: AVG 0.194299 MAX 0.210846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 219.152 MB LDB: TIME 76.9696 LOAD: AVG 0.194299 MAX 0.210846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.152 MB LDB: TIME 76.9697 LOAD: AVG 0.194299 MAX 0.210846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.152 MB LDB: ============== END OF LOAD BALANCING =============== 76.9719 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.9767 PRESSURE: 20400 -436.417 -46.9804 -35.1869 -46.9806 -109.725 158.351 -35.1864 158.351 -305.924 GPRESSURE: 20400 -320.586 -174.198 -13.8546 -28.6034 -179.084 184.702 -13.2091 203.868 -259.812 PRESSAVG: 20400 34.925 -39.5344 37.1035 -39.5343 -45.9781 23.2456 37.1035 23.2456 -11.3994 GPRESSAVG: 20400 34.5449 -43.2061 38.6213 -38.7484 -46.6011 23.3999 37.135 22.0117 -10.6799 TIMING: 20400 CPU: 64.8707, 0.00320793/step Wall: 64.8707, 0.00320793/step, 4.43728 hours remaining, 221.472656 MB of memory in use. ENERGY: 20400 3961.7475 20626.0088 14506.1573 239.8198 -203378.0702 2687.5475 0.0000 0.0000 52136.5029 -109220.2863 299.6292 -161356.7892 -108862.4607 299.2515 -284.0220 -253.1610 762650.3994 -7.4842 -7.5787 PRESSURE: 20600 171.524 -97.7455 -122.275 -97.7446 -16.4794 82.3992 -122.274 82.3991 -398.79 GPRESSURE: 20600 201.9 -90.4496 -117.064 -109.881 -29.2711 45.4374 -65.9769 -44.2232 -314.184 PRESSAVG: 20600 68.3001 -28.9371 63.8572 -28.9372 -0.200378 51.395 63.8572 51.395 19.0675 GPRESSAVG: 20600 69.1655 -27.5433 60.8133 -30.7829 -0.965031 50.815 64.0268 52.5434 19.179 TIMING: 20600 CPU: 65.497, 0.00313151/step Wall: 65.497, 0.00313151/step, 4.3314 hours remaining, 221.671875 MB of memory in use. ENERGY: 20600 4077.2849 20694.5636 14512.2800 254.2603 -203352.5517 2794.3700 0.0000 0.0000 51856.3211 -109163.4718 298.0190 -161019.7929 -108811.2858 300.1120 -81.2482 -47.1852 762512.1530 29.0557 29.1265 PRESSURE: 20800 26.5924 194.008 133.291 194.008 -340.798 -39.2717 133.291 -39.2711 -379.278 GPRESSURE: 20800 -58.3338 112.14 168.458 304.753 -246.683 -64.6528 125.933 -101.751 -297.609 PRESSAVG: 20800 53.8516 -5.56001 -25.2417 -5.56007 -30.0439 -1.04697 -25.2416 -1.04695 -8.98562 GPRESSAVG: 20800 53.6573 -6.19322 -24.1228 -4.04782 -30.4275 0.124261 -24.5534 -1.73464 -8.49015 TIMING: 20800 CPU: 66.1259, 0.00314446/step Wall: 66.1259, 0.00314446/step, 4.34913 hours remaining, 221.671875 MB of memory in use. ENERGY: 20800 4008.6478 20517.7841 14549.5059 236.1446 -202920.9496 2310.8998 0.0000 0.0000 52036.6115 -109261.3560 299.0551 -161297.9675 -108899.8598 299.6494 -231.1612 -200.8755 762497.2848 4.9407 4.9132 PRESSURE: 21000 -122.202 -80.5606 30.5713 -80.5624 51.9788 270.533 30.5718 270.533 -227.771 GPRESSURE: 21000 -76.2743 43.9751 24.7928 -169.931 24.7512 250.672 49.6862 355.779 -172.814 PRESSAVG: 21000 1.32485 -21.5618 1.05372 -21.5618 3.01782 19.2702 1.05373 19.2702 17.0014 GPRESSAVG: 21000 0.975186 -18.9608 2.30671 -23.4795 3.0104 17.9878 -0.724279 20.9682 16.795 TIMING: 21000 CPU: 66.7533, 0.00313717/step Wall: 66.7533, 0.00313717/step, 4.33888 hours remaining, 221.671875 MB of memory in use. ENERGY: 21000 4103.9203 20574.8545 14541.5633 237.6995 -203265.4790 2582.8628 0.0000 0.0000 52074.7115 -109149.8669 299.2741 -161224.5785 -108779.0528 299.7317 -99.3312 -74.7792 762157.5067 7.1147 6.9268 PRESSURE: 21200 -124.215 116.953 256.771 116.954 42.0947 -300.871 256.771 -300.871 209.701 GPRESSURE: 21200 4.60581 -15.1867 271.12 -1.31846 -3.14627 -338.928 234.131 -179.638 190.019 PRESSAVG: 21200 -24.5232 -20.3443 23.124 -20.3443 55.3203 -12.227 23.124 -12.2269 24.0381 GPRESSAVG: 21200 -22.4454 -20.6478 21.6919 -19.3928 54.27 -11.4366 23.211 -13.9654 23.2491 TIMING: 21200 CPU: 67.3806, 0.00313643/step Wall: 67.3806, 0.00313643/step, 4.33769 hours remaining, 221.671875 MB of memory in use. ENERGY: 21200 3997.6979 20562.0447 14495.3439 232.0931 -203017.1714 2493.1801 0.0000 0.0000 52063.6429 -109173.1687 299.2105 -161236.8116 -108814.0861 299.8131 42.5269 63.8260 762538.7851 18.2784 18.3579 PRESSURE: 21400 -53.1507 -50.772 -156.897 -50.7722 -130.286 -63.4661 -156.897 -63.4673 -251.124 GPRESSURE: 21400 -48.0448 -22.6957 -167.763 -24.5335 -77.5302 -74.8059 -121.872 -15.2576 -236.312 PRESSAVG: 21400 16.3155 -16.999 41.8291 -16.999 4.52435 -14.1197 41.8291 -14.1197 -24.6968 GPRESSAVG: 21400 14.8938 -16.2187 42.8122 -16.6307 6.38648 -13.8051 42.7264 -13.9446 -24.8968 TIMING: 21400 CPU: 68.0152, 0.00317274/step Wall: 68.0152, 0.00317274/step, 4.38772 hours remaining, 221.671875 MB of memory in use. ENERGY: 21400 4017.5347 20730.5353 14483.2818 276.1469 -203599.3575 2706.0732 0.0000 0.0000 52203.2946 -109182.4911 300.0131 -161385.7857 -108826.8226 299.6641 -144.8536 -120.6289 763164.3030 -1.2856 -1.2055 PRESSURE: 21600 -407.21 -33.8851 128.328 -33.885 -405.85 -158.286 128.328 -158.285 -479.802 GPRESSURE: 21600 -408.436 42.4477 129.39 -40.0055 -442.527 -121.216 291.311 -97.722 -354.476 PRESSAVG: 21600 -33.1383 -48.9186 -3.13338 -48.9186 21.2529 27.9556 -3.13338 27.9555 7.48102 GPRESSAVG: 21600 -33.1686 -50.117 -4.18573 -46.0927 21.0426 29.6372 -4.1877 26.9066 7.63541 TIMING: 21600 CPU: 68.646, 0.00315436/step Wall: 68.646, 0.00315436/step, 4.36213 hours remaining, 221.671875 MB of memory in use. ENERGY: 21600 4099.6894 20565.7405 14471.5854 242.6588 -202880.6943 2312.0993 0.0000 0.0000 52215.9674 -108972.9535 300.0859 -161188.9209 -108622.8167 300.0348 -430.9540 -401.8131 763193.8965 -1.4681 -1.4968 PRESSURE: 21800 102.519 -191.156 196.465 -191.155 25.2724 69.5516 196.465 69.5523 309.775 GPRESSURE: 21800 54.2582 -217.655 187.994 -133.78 65.7793 110.291 110.992 183.175 400.54 PRESSAVG: 21800 -13.0894 0.18606 74.9832 0.186107 7.58135 -19.4568 74.9832 -19.4568 -0.865096 GPRESSAVG: 21800 -13.6699 -0.27093 76.2736 -2.11986 8.35892 -21.6111 74.4815 -18.297 -1.23181 TIMING: 21800 CPU: 69.2717, 0.00312831/step Wall: 69.2717, 0.00312831/step, 4.32593 hours remaining, 221.671875 MB of memory in use. ENERGY: 21800 4009.2124 20613.7927 14437.7235 261.9225 -203367.4575 2687.8563 0.0000 0.0000 52302.7060 -109054.2441 300.5844 -161356.9502 -108696.6679 300.2548 145.8555 173.5259 761827.4502 -2.1244 -2.1809 PRESSURE: 22000 17.5044 -133.008 -280.826 -133.007 -456.768 13.891 -280.825 13.8913 116.488 GPRESSURE: 22000 63.3601 -79.0418 -276.394 -95.126 -361.392 41.7616 -260.83 125.811 94.9211 PRESSAVG: 22000 51.6029 2.45264 43.0976 2.45267 -19.7022 -12.3127 43.0976 -12.3126 8.17896 GPRESSAVG: 22000 51.3392 4.55823 42.3319 2.03143 -20.1831 -10.3971 44.6529 -14.6691 8.26169 TIMING: 22000 CPU: 69.8962, 0.00312246/step Wall: 69.8962, 0.00312246/step, 4.31766 hours remaining, 221.671875 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: 22000 4009.6286 20641.6551 14498.1769 230.9205 -203310.1190 2574.8585 0.0000 0.0000 52202.5631 -109152.3162 300.0088 -161354.8793 -108789.2727 300.3386 -107.5921 -67.7035 760550.9940 13.3599 13.1393 PRESSURE: 22200 -143.599 178.338 28.3479 178.338 -88.9922 -48.6781 28.3481 -48.6774 54.7263 GPRESSURE: 22200 -20.4326 280.758 134.651 109.364 -161.155 -78.3851 -58.1467 -114.187 94.3852 PRESSAVG: 22200 63.4238 26.6721 40.5868 26.6721 -75.9735 -8.4252 40.5868 -8.42519 17.6581 GPRESSAVG: 22200 64.6106 26.2589 42.0793 27.4006 -76.7589 -10.7046 39.1186 -4.78331 17.1136 TIMING: 22200 CPU: 70.5236, 0.00313705/step Wall: 70.5236, 0.00313704/step, 4.33766 hours remaining, 221.671875 MB of memory in use. ENERGY: 22200 4033.9035 20524.5385 14417.1340 248.0121 -203052.3381 2392.9543 0.0000 0.0000 52136.1337 -109299.6620 299.6271 -161435.7957 -108934.9339 299.7073 -59.2885 -29.0674 761119.4900 1.7028 1.6551 PRESSURE: 22400 143.67 -174.705 -44.9077 -174.706 -204.853 11.3655 -44.9075 11.366 114.799 GPRESSURE: 22400 186.267 -152.532 -32.7366 -183.213 -112.637 -28.8591 -75.7905 21.6677 48.0727 PRESSAVG: 22400 100.895 -52.1766 -27.6874 -52.1766 -49.3928 -5.70806 -27.6875 -5.70814 -11.7745 GPRESSAVG: 22400 99.7458 -51.8017 -28.8452 -50.9667 -48.4347 -4.96299 -25.1827 -8.3422 -11.0996 TIMING: 22400 CPU: 71.1515, 0.00313951/step Wall: 71.1515, 0.00313951/step, 4.34089 hours remaining, 221.671875 MB of memory in use. ENERGY: 22400 4049.2554 20557.0242 14440.9581 267.9041 -203779.3666 2856.0923 0.0000 0.0000 52077.6831 -109530.4494 299.2912 -161608.1325 -109160.8149 299.5514 17.8719 40.5675 760279.4429 13.2426 13.4038 PRESSURE: 22600 -467.191 -124.773 -40.8148 -124.773 -403.47 -149.886 -40.8149 -149.885 -103.989 GPRESSURE: 22600 -425.599 -219.338 -64.9455 -222.938 -435.684 -138.554 -73.0917 -139.852 -40.9325 PRESSAVG: 22600 28.9604 -54.6271 -6.24655 -54.6271 -60.7243 11.7257 -6.24661 11.7258 12.9291 GPRESSAVG: 22600 29.8801 -57.6427 -6.71932 -55.1605 -61.056 11.6362 -8.50419 12.3062 12.3757 TIMING: 22600 CPU: 71.7892, 0.00318821/step Wall: 71.7892, 0.00318821/step, 4.40805 hours remaining, 221.671875 MB of memory in use. ENERGY: 22600 4026.8251 20416.2067 14541.7613 248.6481 -202876.7014 2382.7310 0.0000 0.0000 51723.1758 -109537.3535 297.2538 -161260.5293 -109182.1772 298.9305 -324.8834 -300.7388 761807.5214 -6.2782 -6.2667 PRESSURE: 22800 -126.997 -235.84 -101.695 -235.84 -66.9118 46.4691 -101.696 46.4691 -507.462 GPRESSURE: 22800 -1.34124 -227.769 -158.402 -206.586 -109.161 82.6536 -100.521 -85.3172 -504.467 PRESSAVG: 22800 15.0308 -81.2739 53.1784 -81.2738 -24.171 2.41612 53.1783 2.4161 0.967033 GPRESSAVG: 22800 14.6626 -80.8017 53.4438 -83.0011 -24.7282 3.3681 54.1263 1.72846 2.02854 TIMING: 22800 CPU: 72.4245, 0.00317695/step Wall: 72.4245, 0.00317695/step, 4.39231 hours remaining, 221.671875 MB of memory in use. ENERGY: 22800 3999.9686 20578.1036 14456.0419 260.5893 -203069.8443 2208.6346 0.0000 0.0000 52065.1286 -109501.3778 299.2190 -161566.5063 -109142.5405 299.0134 -233.7905 -204.9896 761533.7678 -2.7244 -2.6790 PRESSURE: 23000 -223.59 241.562 -34.6882 241.562 133.153 115.853 -34.6881 115.853 108.017 GPRESSURE: 23000 -247.102 256.778 -92.1849 225.758 185.077 125.765 -76.9891 88.5828 169.71 PRESSAVG: 23000 31.1244 -103.327 -19.7055 -103.327 9.79434 -8.69555 -19.7055 -8.69555 14.022 GPRESSAVG: 23000 31.7456 -100.26 -18.3615 -104.023 9.09952 -9.76677 -20.3248 -6.71751 13.7512 TIMING: 23000 CPU: 73.0604, 0.00317918/step Wall: 73.0604, 0.00317918/step, 4.39522 hours remaining, 221.671875 MB of memory in use. ENERGY: 23000 4039.4972 20613.1421 14503.3639 260.4898 -203339.3942 2339.8410 0.0000 0.0000 52031.6845 -109551.3757 299.0268 -161583.0602 -109184.4396 299.5241 5.8600 35.8948 759965.2219 18.3136 18.1988 PRESSURE: 23200 -15.6779 -47.3384 145.159 -47.3379 39.3594 27.9507 145.159 27.9509 230.354 GPRESSURE: 23200 21.4138 -68.5731 42.3657 -192.499 88.8008 111.073 126.617 -36.1143 238.004 PRESSAVG: 23200 -25.4641 -49.0212 -65.1161 -49.0212 -46.2691 -24.9133 -65.1161 -24.9132 2.07618 GPRESSAVG: 23200 -26.1182 -51.5358 -67.8576 -47.9572 -44.8327 -24.1411 -65.0998 -25.96 1.20085 TIMING: 23200 CPU: 73.6921, 0.00315847/step Wall: 73.6921, 0.00315847/step, 4.36641 hours remaining, 221.671875 MB of memory in use. ENERGY: 23200 3995.0100 20450.0411 14482.0991 259.6255 -203387.2832 2506.1074 0.0000 0.0000 52121.7619 -109572.6383 299.5445 -161694.4002 -109205.0537 299.0590 84.6784 116.0728 760690.3056 -23.2190 -23.2500 PRESSURE: 23400 128.678 -146.309 -79.7638 -146.31 196.137 168.333 -79.7638 168.333 330.4 GPRESSURE: 23400 192.357 -197.324 -133.434 -111.675 264.672 89.9321 10.5532 59.8719 305.274 PRESSAVG: 23400 37.5663 -13.6867 -29.0398 -13.6867 -33.5626 -17.7366 -29.0398 -17.7366 6.34958 GPRESSAVG: 23400 37.4862 -15.1951 -26.9864 -12.9333 -33.7088 -18.7874 -29.0916 -19.4579 6.85157 TIMING: 23400 CPU: 74.3265, 0.00317238/step Wall: 74.3265, 0.00317238/step, 4.38546 hours remaining, 221.671875 MB of memory in use. ENERGY: 23400 3935.5816 20640.1897 14479.7327 253.3762 -203729.0934 2718.5111 0.0000 0.0000 52070.4145 -109631.2876 299.2494 -161701.7021 -109274.4937 299.0693 218.4052 254.1009 757949.1046 3.4511 3.5430 PRESSURE: 23600 -175.457 -195.833 -46.4788 -195.833 152.656 -186.53 -46.4792 -186.529 -261.733 GPRESSURE: 23600 -123.52 -233.228 -77.691 -161.886 93.1053 -378.1 70.4577 -113.722 -176.592 PRESSAVG: 23600 51.1968 -13.5484 -45.3293 -13.5485 14.399 -47.4491 -45.3294 -47.4491 -6.55217 GPRESSAVG: 23600 51.0041 -12.1343 -47.3006 -15.7488 14.4057 -47.5512 -44.9515 -46.9626 -5.49645 TIMING: 23600 CPU: 74.9583, 0.00315878/step Wall: 74.9583, 0.00315878/step, 4.36648 hours remaining, 221.671875 MB of memory in use. ENERGY: 23600 4070.6591 20602.6408 14501.6326 270.8037 -203710.7914 2549.1383 0.0000 0.0000 52106.7832 -109609.1338 299.4584 -161715.9170 -109256.5535 299.4413 -94.8446 -69.0024 758920.7500 19.6812 19.9711 PRESSURE: 23800 -107.069 -204.599 -146.926 -204.599 -70.922 -228.681 -146.927 -228.681 -367.533 GPRESSURE: 23800 -19.0696 -134.432 -124.061 -236.252 -24.0937 -92.5303 -137.328 -140.533 -398.669 PRESSAVG: 23800 68.6538 -49.9447 -4.6889 -49.9447 -34.2926 -7.93953 -4.68894 -7.9396 -9.27246 GPRESSAVG: 23800 70.1833 -47.1638 -4.71693 -48.664 -34.4504 -7.61362 -3.29925 -7.87398 -10.8078 TIMING: 23800 CPU: 75.5894, 0.00315543/step Wall: 75.5894, 0.00315543/step, 4.36168 hours remaining, 221.671875 MB of memory in use. ENERGY: 23800 4009.1093 20617.8625 14510.8291 238.3757 -203460.2456 2327.2366 0.0000 0.0000 51826.5404 -109930.2921 297.8478 -161756.8325 -109572.1937 298.6603 -181.8416 -147.2775 759330.6710 8.3629 8.3084 PRESSURE: 24000 -146.01 -3.19926 251.723 -3.19885 338.073 50.0755 251.723 50.0756 8.88198 GPRESSURE: 24000 -64.3738 5.79655 246.734 -21.4493 389.271 -56.802 -12.9575 -66.7711 -30.8908 PRESSAVG: 24000 -4.84923 -20.0321 -11.5587 -20.0321 37.0281 -4.97407 -11.5586 -4.97408 17.2841 GPRESSAVG: 24000 -7.06461 -21.6329 -9.93722 -18.6391 36.7392 -5.19123 -12.6359 -4.23036 19.4553 TIMING: 24000 CPU: 76.217, 0.00313791/step Wall: 76.217, 0.00313791/step, 4.33729 hours remaining, 221.671875 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: 24000 3984.1349 20475.9222 14490.3879 253.7103 -203792.5106 2772.3927 0.0000 0.0000 51795.8102 -110020.1525 297.6712 -161815.9627 -109640.7262 298.5689 66.9818 98.0020 758721.6402 16.4876 16.3766 PRESSURE: 24200 -225.36 -38.7893 216.462 -38.7896 -236.745 24.6272 216.463 24.6277 33.9789 GPRESSURE: 24200 -333.602 -129.997 188.338 43.2925 -191.093 -74.9306 143.228 62.2547 171.211 PRESSAVG: 24200 16.7478 -15.1996 9.15021 -15.1996 -32.1854 -35.1111 9.15023 -35.1111 -17.3067 GPRESSAVG: 24200 18.0473 -15.8802 7.55788 -15.3613 -31.1537 -37.1822 8.78837 -33.0707 -19.6465 TIMING: 24200 CPU: 76.8448, 0.00313929/step Wall: 76.8448, 0.00313929/step, 4.33902 hours remaining, 221.671875 MB of memory in use. ENERGY: 24200 4018.0800 20547.3399 14515.6979 235.1892 -203501.2218 2572.2703 0.0000 0.0000 51772.1385 -109840.5060 297.5352 -161612.6445 -109497.8593 297.7637 -142.7090 -117.8278 759758.7171 -10.9148 -10.9176 LDB: ============= START OF LOAD BALANCING ============== 89.2622 LDB: ============== END OF LOAD BALANCING =============== 89.2624 LDB: =============== DONE WITH MIGRATION ================ 89.2639 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 89.5762 LDB: Largest compute 7047 load 0.035116 is 18.1% of average load 0.194460 LDB: Average compute 0.004420 is 2.3% of average load 0.194460 LDB: TIME 89.5796 LOAD: AVG 0.19446 MAX 0.210002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 219.664 MB LDB: TIME 89.58 LOAD: AVG 0.19446 MAX 0.210002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.758 MB LDB: TIME 89.5801 LOAD: AVG 0.19446 MAX 0.210002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.758 MB LDB: ============== END OF LOAD BALANCING =============== 89.5821 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 89.587 PRESSURE: 24400 4.9695 -157.048 91.0855 -157.048 -424.356 -13.2167 91.0849 -13.2164 216.17 GPRESSURE: 24400 5.18624 -125.49 190.697 -164.008 -255.018 28.0442 38.8841 60.8245 121.062 PRESSAVG: 24400 -13.5 -45.0373 -11.7611 -45.0373 -4.98061 12.6338 -11.7611 12.6337 4.98205 GPRESSAVG: 24400 -13.067 -44.1818 -9.97604 -45.5881 -6.15679 14.2484 -11.8493 9.46432 6.05967 TIMING: 24400 CPU: 77.481, 0.00318107/step Wall: 77.481, 0.00318107/step, 4.39659 hours remaining, 221.273438 MB of memory in use. ENERGY: 24400 4008.3574 20593.0121 14495.1312 242.7756 -203244.5701 2443.2160 0.0000 0.0000 51851.9308 -109610.1470 297.9938 -161462.0778 -109247.1273 298.5092 -67.7387 -42.9232 760455.3781 -4.4995 -4.3880 PRESSURE: 24600 209.508 148.62 -90.6033 148.619 36.2852 41.6124 -90.6034 41.6134 383.088 GPRESSURE: 24600 271.852 178.774 -64.2418 173.86 65.3062 54.5084 -33.3884 113.268 389.501 PRESSAVG: 24600 35.0956 -66.6272 -48.3212 -66.6272 -47.8576 29.5577 -48.3212 29.5577 -9.87851 GPRESSAVG: 24600 33.9025 -66.2834 -48.6475 -66.491 -46.7329 29.8741 -48.9042 32.8539 -9.58428 TIMING: 24600 CPU: 78.1051, 0.00312035/step Wall: 78.1051, 0.00312035/step, 4.3125 hours remaining, 221.273438 MB of memory in use. ENERGY: 24600 3991.5726 20744.6143 14421.9860 252.7205 -203774.3961 2640.0931 0.0000 0.0000 52360.7165 -109362.6931 300.9178 -161723.4096 -109000.2268 299.3725 209.6272 242.2196 758253.4416 -7.5468 -7.4716 PRESSURE: 24800 -113.747 -132.847 -119.224 -132.847 -327.813 214.15 -119.225 214.151 -0.606501 GPRESSURE: 24800 -9.41523 -179.836 -149.259 -37.9976 -255.599 157.614 -120.085 120.982 -86.6566 PRESSAVG: 24800 5.62067 -83.2998 2.79757 -83.2998 -28.8679 -2.27138 2.79753 -2.27137 13.8451 GPRESSAVG: 24800 6.84885 -84.0819 3.3411 -82.8799 -29.7494 -3.55092 3.1626 -1.39832 13.9848 TIMING: 24800 CPU: 78.7309, 0.00312902/step Wall: 78.7309, 0.00312902/step, 4.3243 hours remaining, 221.273438 MB of memory in use. ENERGY: 24800 4002.1528 20711.5588 14487.0156 260.5549 -203089.2544 2137.5625 0.0000 0.0000 52166.7906 -109323.6192 299.8033 -161490.4098 -108965.2868 299.5748 -147.3887 -117.2237 760091.5319 -3.1340 -2.9719 PRESSURE: 25000 135.183 -93.8313 144.21 -93.8319 442.723 -109.529 144.21 -109.529 184.414 GPRESSURE: 25000 78.6992 -89.6671 140.7 -2.44637 582.83 -157.935 163.14 -132.581 194.489 PRESSAVG: 25000 30.847 -19.9928 63.2498 -19.9928 29.8861 -30.3501 63.2498 -30.35 -35.2856 GPRESSAVG: 25000 30.8282 -20.701 61.1665 -20.3475 30.2989 -30.6191 65.7735 -31.276 -35.5699 TIMING: 25000 CPU: 79.3635, 0.00316311/step Wall: 79.3635, 0.00316311/step, 4.37124 hours remaining, 221.273438 MB of memory in use. ENERGY: 25000 4022.9636 20603.4519 14464.0614 243.2330 -203703.3626 2702.1353 0.0000 0.0000 52325.6150 -109341.9025 300.7160 -161667.5175 -108983.5016 299.8228 254.1063 285.3392 758484.7856 8.4825 8.5190 PRESSURE: 25200 57.5397 -17.0556 -60.005 -17.0564 -78.8316 83.679 -60.0055 83.6783 -41.4851 GPRESSURE: 25200 84.6235 71.0315 -118.917 -117.357 -14.9273 144.082 -66.068 -20.1069 -30.829 PRESSAVG: 25200 53.2316 -42.7871 -21.3904 -42.7871 -42.6995 37.87 -21.3904 37.87 7.97323 GPRESSAVG: 25200 53.2261 -43.6136 -21.4158 -43.248 -43.1061 40.7861 -23.6724 34.9285 8.18259 TIMING: 25200 CPU: 79.9952, 0.00315843/step Wall: 79.9952, 0.00315843/step, 4.36459 hours remaining, 221.273438 MB of memory in use. ENERGY: 25200 4016.8824 20632.8764 14492.0075 250.7762 -203569.8691 2691.3596 0.0000 0.0000 52004.7403 -109481.2265 298.8720 -161485.9668 -109119.8983 299.6678 -20.9257 12.9557 760510.0970 6.1685 6.1008 PRESSURE: 25400 -153.497 28.1428 154.635 28.1427 101.399 16.1001 154.635 16.1009 150.891 GPRESSURE: 25400 -38.2112 134.816 195.108 15.9857 -5.76592 54.7454 126.267 -29.0887 236.542 PRESSAVG: 25400 18.5236 -20.8636 -29.9608 -20.8636 -25.9791 -17.102 -29.9607 -17.102 23.8118 GPRESSAVG: 25400 19.6911 -17.1336 -27.5591 -21.4933 -26.4543 -18.8135 -30.5415 -15.6141 22.9637 TIMING: 25400 CPU: 80.6198, 0.00312283/step Wall: 80.6198, 0.00312283/step, 4.31523 hours remaining, 221.273438 MB of memory in use. ENERGY: 25400 4077.6084 20536.1797 14545.6635 240.0380 -203553.2419 2479.6985 0.0000 0.0000 52033.9089 -109640.1450 299.0396 -161674.0538 -109274.7684 299.3926 32.9310 64.1884 759077.9117 5.4521 5.4002 PRESSURE: 25600 118.299 -158.967 -289.36 -158.968 -129.247 -38.4752 -289.36 -38.476 87.0875 GPRESSURE: 25600 125.837 -169.716 -249.411 -110.703 -34.6693 -52.1805 -250.282 -5.43344 86.0269 PRESSAVG: 25600 -41.1073 -56.7927 12.4177 -56.7927 17.5628 -38.6177 12.4177 -38.6177 -9.91713 GPRESSAVG: 25600 -43.693 -58.8223 11.7111 -55.0014 19.8422 -39.3071 13.699 -37.5369 -10.0858 TIMING: 25600 CPU: 81.249, 0.00314592/step Wall: 81.249, 0.00314592/step, 4.34697 hours remaining, 221.273438 MB of memory in use. ENERGY: 25600 3948.2254 20492.3427 14520.2576 252.1655 -203282.4792 2347.6299 0.0000 0.0000 52168.4566 -109553.4015 299.8128 -161721.8581 -109188.4550 298.5505 25.3799 59.0649 762367.0616 -11.1539 -11.3122 PRESSURE: 25800 -130.851 -15.0743 319.789 -15.0745 34.2957 -219.124 319.79 -219.124 338.316 GPRESSURE: 25800 -86.2833 15.4227 274.809 -23.6201 130.74 -181.22 368.222 -21.9787 299.372 PRESSAVG: 25800 56.2611 -37.5468 -7.00035 -37.5468 -37.6861 -69.6849 -7.00034 -69.6849 0.170538 GPRESSAVG: 25800 57.6507 -38.2603 -8.20606 -39.3161 -39.2725 -67.1999 -8.10466 -71.5828 0.177949 TIMING: 25800 CPU: 81.8786, 0.00314831/step Wall: 81.8786, 0.00314831/step, 4.35009 hours remaining, 221.273438 MB of memory in use. ENERGY: 25800 3954.9242 20488.2139 14514.0899 241.7752 -203383.3674 2590.6355 0.0000 0.0000 51934.9535 -109658.7751 298.4709 -161593.7286 -109295.4358 298.9326 80.5872 114.6096 761563.4268 6.2485 6.1854 PRESSURE: 26000 79.295 -57.8544 28.9046 -57.8544 -139.956 -263.403 28.9048 -263.403 -467.39 GPRESSURE: 26000 51.5577 -112.369 -27.8372 -34.0493 -57.3465 -176.682 131.943 -242.171 -431.582 PRESSAVG: 26000 16.6526 -45.3615 -1.11484 -45.3615 -5.02064 15.5905 -1.11494 15.5905 5.63665 GPRESSAVG: 26000 16.8144 -45.2857 -1.52096 -41.8798 -6.26957 13.2912 -2.66199 18.2893 6.69411 TIMING: 26000 CPU: 82.507, 0.0031416/step Wall: 82.507, 0.0031416/step, 4.34064 hours remaining, 221.273438 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: 26000 3996.6643 20308.5596 14419.4837 243.2930 -203324.7314 2589.4291 0.0000 0.0000 52027.7130 -109739.5887 299.0040 -161767.3016 -109369.3846 298.7796 -176.0170 -145.7903 763192.5667 5.7562 5.7463 PRESSURE: 26200 -198.659 -154.61 -235.499 -154.611 7.40374 -206.004 -235.499 -206.004 125.791 GPRESSURE: 26200 -103.524 -192.224 -170.973 -102.491 18.9636 -134.152 -300.432 -164.413 97.4188 PRESSAVG: 26200 -50.4399 -39.9639 23.693 -39.9639 41.1434 -19.7041 23.6931 -19.7042 6.58383 GPRESSAVG: 26200 -49.7219 -39.0866 24.5826 -41.8396 42.4371 -20.0196 26.9653 -19.9511 4.42681 TIMING: 26200 CPU: 83.1399, 0.00316458/step Wall: 83.1399, 0.00316458/step, 4.37221 hours remaining, 221.273438 MB of memory in use. ENERGY: 26200 3968.6231 20415.0929 14514.0124 244.0749 -203541.8655 2568.2620 0.0000 0.0000 52053.1850 -109778.6152 299.1504 -161831.8002 -109414.9017 298.0717 -21.8213 4.2861 761004.6437 -0.9042 -0.9527 PRESSURE: 26400 -101.164 -171.859 157.992 -171.858 140.329 129.005 157.991 129.004 -97.8628 GPRESSURE: 26400 -55.3641 -179.708 257.372 -63.2112 179.693 206.249 29.7618 49.2511 -84.6838 PRESSAVG: 26400 14.5057 -5.67304 -46.6928 -5.67313 -27.8061 -2.08445 -46.6929 -2.08452 4.9808 GPRESSAVG: 26400 14.8049 -5.69908 -45.1035 -7.61388 -28.9606 -1.13324 -47.8141 -4.1399 6.17676 TIMING: 26400 CPU: 83.766, 0.00313073/step Wall: 83.766, 0.00313072/step, 4.32527 hours remaining, 221.273438 MB of memory in use. ENERGY: 26400 4050.0016 20391.8016 14440.1008 236.8843 -203165.2742 2592.1348 0.0000 0.0000 51795.5726 -109658.7785 297.6699 -161454.3511 -109294.8730 298.2912 -19.5659 13.2151 761910.3866 -2.7732 -2.6597 PRESSURE: 26600 -111.54 -55.2375 109.737 -55.2366 116.15 -127.773 109.738 -127.774 220.224 GPRESSURE: 26600 -127.861 41.8243 121.676 42.5013 202.743 -142.958 182.539 -168.067 245.455 PRESSAVG: 26600 -14.7304 -22.1206 -56.5843 -22.1207 23.3203 9.94803 -56.5842 9.948 -2.1837 GPRESSAVG: 26600 -15.9458 -21.8597 -59.4351 -18.7192 23.784 9.04247 -56.9769 8.91849 -1.37273 TIMING: 26600 CPU: 84.3942, 0.00314099/step Wall: 84.3942, 0.00314099/step, 4.33928 hours remaining, 221.273438 MB of memory in use. ENERGY: 26600 3915.3963 20374.7848 14545.7904 254.7377 -203648.1345 2742.1177 0.0000 0.0000 52095.0823 -109720.2253 299.3912 -161815.3076 -109349.9202 298.6161 74.9449 106.7789 759720.5512 2.1354 2.1552 PRESSURE: 26800 -85.9338 -71.783 -1.71733 -71.7823 171.551 48.9217 -1.71796 48.922 235.435 GPRESSURE: 26800 -29.3392 -48.0328 44.011 -41.0613 139.804 13.3223 11.8984 51.8053 317.847 PRESSAVG: 26800 -15.293 7.32069 -39.5625 7.3207 -18.5218 -17.1908 -39.5625 -17.1908 18.6481 GPRESSAVG: 26800 -15.9716 7.74096 -39.7295 4.46906 -18.5489 -15.3041 -38.5523 -15.6751 18.932 TIMING: 26800 CPU: 85.021, 0.00313405/step Wall: 85.021, 0.00313405/step, 4.32952 hours remaining, 221.273438 MB of memory in use. ENERGY: 26800 3996.6230 20167.6063 14597.4855 225.8734 -203266.3715 2561.0924 0.0000 0.0000 51810.2063 -109907.4846 297.7540 -161717.6909 -109553.3036 298.4519 107.0173 142.7707 760819.8340 -5.0556 -5.1962 PRESSURE: 27000 -250.351 184.265 -70.5999 184.264 28.721 -206.197 -70.5995 -206.196 -273.165 GPRESSURE: 27000 -209.628 169.245 -78.463 85.4922 34.4691 -118.777 -91.1998 -209.308 -235.38 PRESSAVG: 27000 40.651 -82.4617 11.7493 -82.4617 -19.4615 -16.9742 11.7493 -16.9742 3.10334 GPRESSAVG: 27000 41.8011 -83.6635 12.5069 -81.6209 -19.4492 -17.2595 11.8041 -15.4319 1.97437 TIMING: 27000 CPU: 85.6501, 0.0031455/step Wall: 85.6501, 0.0031455/step, 4.34516 hours remaining, 221.273438 MB of memory in use. ENERGY: 27000 3974.0436 20587.3245 14511.2780 238.8887 -203325.2923 2360.0993 0.0000 0.0000 51839.0135 -109814.6446 297.9195 -161653.6581 -109460.2842 298.1473 -164.9320 -136.8463 761649.1358 8.0976 8.1087 PRESSURE: 27200 -91.5864 88.7393 -39.4477 88.7389 -39.1693 192.578 -39.4472 192.578 -141.916 GPRESSURE: 27200 -63.5624 105.246 24.9804 50.6031 36.9867 76.7401 -109.204 185.798 -152.876 PRESSAVG: 27200 -20.9482 -34.335 -13.2333 -34.3349 12.9822 -40.216 -13.2334 -40.216 -4.2044 GPRESSAVG: 27200 -23.8733 -35.3328 -11.3964 -32.7972 14.2421 -40.428 -15.2598 -40.2403 -2.44818 TIMING: 27200 CPU: 86.2804, 0.0031514/step Wall: 86.2804, 0.0031514/step, 4.35313 hours remaining, 221.273438 MB of memory in use. ENERGY: 27200 4055.0984 20454.4156 14440.0055 253.5392 -203299.8536 2528.4664 0.0000 0.0000 52044.1709 -109524.1576 299.0986 -161568.3285 -109170.0596 298.2737 -90.8904 -59.8173 761925.6923 -4.0568 -4.0265 PRESSURE: 27400 93.0658 -174.891 57.9622 -174.892 -20.1111 17.5144 57.9615 17.5146 257.419 GPRESSURE: 27400 77.38 -206.088 101.986 -153.116 125.139 99.9651 123.879 -112.078 195.323 PRESSAVG: 27400 -11.1044 -32.3998 33.627 -32.3998 -12.8825 -26.7735 33.627 -26.7734 2.76121 GPRESSAVG: 27400 -8.92339 -31.6891 33.1489 -34.5025 -12.4684 -26.9538 34.5269 -27.8676 0.33347 TIMING: 27400 CPU: 86.9047, 0.00312128/step Wall: 86.9047, 0.00312128/step, 4.31136 hours remaining, 221.273438 MB of memory in use. ENERGY: 27400 3994.7600 20412.3402 14572.7900 246.7693 -203489.7908 2647.6632 0.0000 0.0000 52129.2649 -109486.2033 299.5876 -161615.4682 -109118.2172 299.3338 110.1244 132.6138 762754.3715 -7.0752 -7.0194 PRESSURE: 27600 -20.4208 -51.4742 -83.1503 -51.4738 283.918 -109.378 -83.1499 -109.377 220.019 GPRESSURE: 27600 24.4519 -71.4362 -83.5715 0.818435 270.486 -115.928 -78.6544 -162.737 272.672 PRESSAVG: 27600 5.33118 -38.2729 -34.0424 -38.2729 -15.0169 -40.092 -34.0424 -40.092 -0.813818 GPRESSAVG: 27600 5.20045 -36.5044 -34.6855 -39.5992 -16.8596 -38.8589 -33.8115 -42.1807 0.695692 TIMING: 27600 CPU: 87.5304, 0.00312872/step Wall: 87.5304, 0.00312872/step, 4.32145 hours remaining, 221.273438 MB of memory in use. ENERGY: 27600 3948.1031 20627.4744 14504.9559 238.7364 -203872.1306 2867.6502 0.0000 0.0000 52024.2618 -109660.9488 298.9841 -161685.2106 -109309.9620 299.2381 161.1722 189.2035 758928.6387 -3.4998 -3.6545 PRESSURE: 27800 273.38 -133.334 -2.34162 -133.335 -260.617 16.0471 -2.34141 16.0475 -130.31 GPRESSURE: 27800 274.919 -95.035 64.6693 -89.3662 -214.127 74.4324 -66.1716 -52.9458 -88.1356 PRESSAVG: 27800 54.311 -29.7487 -0.36631 -29.7486 -50.9145 -7.26576 -0.366289 -7.26592 20.3441 GPRESSAVG: 27800 53.4256 -30.0328 -0.0979334 -29.2521 -51.0254 -7.03163 -1.64999 -5.4119 21.292 TIMING: 27800 CPU: 88.1589, 0.00314235/step Wall: 88.1589, 0.00314235/step, 4.3401 hours remaining, 221.273438 MB of memory in use. ENERGY: 27800 4071.4339 20506.4719 14470.2800 246.3790 -203642.8984 2937.3882 0.0000 0.0000 51857.1030 -109553.8425 298.0235 -161410.9455 -109187.8398 299.4239 -39.1822 -9.1144 761333.7040 7.9135 7.8974 PRESSURE: 28000 -136.541 -35.5059 147.686 -35.5054 101.305 -34.6104 147.686 -34.6102 -93.1766 GPRESSURE: 28000 55.3053 -89.354 124.965 36.745 77.7293 -0.285123 82.6027 -115.979 -159.618 PRESSAVG: 28000 76.6878 -10.9606 -0.246163 -10.9606 -23.6841 19.9767 -0.246188 19.9767 23.266 GPRESSAVG: 28000 76.8893 -11.1181 -0.78976 -11.3915 -22.7869 19.8137 1.61786 21.3162 21.9706 TIMING: 28000 CPU: 88.7848, 0.00312966/step Wall: 88.7848, 0.00312966/step, 4.32241 hours remaining, 221.273438 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: 28000 4048.6704 20423.4844 14485.6462 222.7131 -203330.5920 2670.9865 0.0000 0.0000 52047.3313 -109431.7601 299.1167 -161479.0914 -109061.3962 299.4837 -42.8041 -8.8613 760910.3346 25.4232 25.3577 PRESSURE: 28200 -212.043 -122.843 134.442 -122.843 121.148 -83.1983 134.442 -83.1972 -120.232 GPRESSURE: 28200 -188.67 48.9367 137.152 -100.607 188.081 -57.3514 47.6189 -121.659 -128.619 PRESSAVG: 28200 5.11174 6.91569 -2.58303 6.9157 33.5501 18.7713 -2.58305 18.7713 -9.36362 GPRESSAVG: 28200 5.83146 6.67457 -1.27205 9.31095 32.454 16.4464 -3.35061 19.4389 -9.28389 TIMING: 28200 CPU: 89.4122, 0.00313683/step Wall: 89.4122, 0.00313683/step, 4.33213 hours remaining, 221.273438 MB of memory in use. ENERGY: 28200 4110.7233 20419.2205 14463.0655 250.1708 -203400.4604 2572.9769 0.0000 0.0000 52072.3198 -109511.9834 299.2603 -161584.3033 -109147.4428 299.3793 -70.3756 -43.0692 761290.1539 9.7661 9.6672 LDB: ============= START OF LOAD BALANCING ============== 101.831 LDB: ============== END OF LOAD BALANCING =============== 101.831 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.833 LDB: ============= START OF LOAD BALANCING ============== 102.145 LDB: Largest compute 7066 load 0.035099 is 18.0% of average load 0.194527 LDB: Average compute 0.004410 is 2.3% of average load 0.194527 LDB: TIME 102.148 LOAD: AVG 0.194527 MAX 0.210102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.332 MB LDB: TIME 102.149 LOAD: AVG 0.194527 MAX 0.210102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.406 MB LDB: TIME 102.149 LOAD: AVG 0.194527 MAX 0.210102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.406 MB LDB: ============== END OF LOAD BALANCING =============== 102.151 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 102.156 PRESSURE: 28400 -76.8959 -136.72 99.0809 -136.719 -317.229 186.82 99.081 186.82 -424.366 GPRESSURE: 28400 -79.3794 -309.363 78.7329 55.4093 -225.958 268.158 150.204 43.5911 -416.506 PRESSAVG: 28400 12.2703 4.58029 -19.7434 4.58026 43.3345 19.3684 -19.7434 19.3684 -14.5038 GPRESSAVG: 28400 11.1641 3.30092 -20.8978 2.40141 44.7968 20.3511 -17.7158 17.2014 -14.5839 TIMING: 28400 CPU: 90.0496, 0.00318701/step Wall: 90.0496, 0.00318701/step, 4.40125 hours remaining, 220.441406 MB of memory in use. ENERGY: 28400 4040.0068 20518.8496 14513.7632 238.7194 -202936.9357 2117.1355 0.0000 0.0000 52050.1919 -109458.2694 299.1332 -161508.4613 -109094.0755 299.1036 -272.8304 -240.6147 761273.8358 13.7003 13.7923 PRESSURE: 28600 125.37 -275.755 -41.699 -275.756 -126.746 31.5217 -41.6997 31.5215 -69.1986 GPRESSURE: 28600 42.0574 -308.975 14.2663 -189.199 -9.40623 135.378 -69.3223 -12.7741 -13.8372 PRESSAVG: 28600 58.2987 -1.9889 37.671 -1.98887 14.0984 18.7702 37.671 18.7703 -11.3527 GPRESSAVG: 28600 57.1142 -2.2059 39.0267 -0.905241 13.6419 18.4757 35.2135 19.4347 -10.0463 TIMING: 28600 CPU: 90.6738, 0.0031212/step Wall: 90.6738, 0.0031212/step, 4.31021 hours remaining, 220.441406 MB of memory in use. ENERGY: 28600 3966.5723 20380.5044 14459.0116 247.7997 -203356.6989 2694.2450 0.0000 0.0000 51914.3218 -109694.2441 298.3523 -161608.5659 -109326.5991 298.8721 -23.5247 6.2713 761994.8793 20.3481 20.2366 PRESSURE: 28800 -128.276 -117.711 66.5363 -117.711 -131.977 124.627 66.5366 124.626 -371.934 GPRESSURE: 28800 -111.61 -184.711 47.8634 -93.8322 -215.462 83.3492 148.387 206.345 -220.586 PRESSAVG: 28800 79.2166 -57.164 27.1969 -57.1641 -76.9723 4.64521 27.1969 4.64532 2.7721 GPRESSAVG: 28800 81.3669 -57.769 25.2256 -55.5552 -78.3217 3.70284 28.2691 5.75004 2.26045 TIMING: 28800 CPU: 91.3038, 0.00315014/step Wall: 91.3038, 0.00315014/step, 4.35 hours remaining, 220.441406 MB of memory in use. ENERGY: 28800 4007.4813 20548.0302 14448.9564 252.3493 -203381.1058 2508.1971 0.0000 0.0000 52025.8417 -109590.2498 298.9932 -161616.0915 -109220.9628 298.8043 -210.7294 -182.5528 763704.0359 1.6722 1.7685 PRESSURE: 29000 -266.362 -287.802 -96.9622 -287.802 -180.705 -107.463 -96.9627 -107.463 -224.703 GPRESSURE: 29000 -225.47 -299.388 -82.8081 -238.153 -130.455 -76.5752 22.6967 -47.5655 -220.482 PRESSAVG: 29000 -66.8885 -45.1065 59.1116 -45.1066 74.0987 -90.0692 59.1116 -90.0692 26.9782 GPRESSAVG: 29000 -67.8905 -44.0007 59.9558 -46.9999 74.8952 -88.8173 60.2762 -91.7775 27.087 TIMING: 29000 CPU: 91.9342, 0.00315198/step Wall: 91.9342, 0.00315198/step, 4.35237 hours remaining, 220.441406 MB of memory in use. ENERGY: 29000 4052.7071 20498.3128 14442.3564 249.7076 -203625.0773 2664.4036 0.0000 0.0000 52179.7407 -109537.8491 299.8777 -161717.5897 -109170.4857 299.3007 -223.9233 -192.1358 761889.3547 11.3961 11.3639 PRESSURE: 29200 -53.6007 272.047 -276.098 272.047 142.31 -148.32 -276.099 -148.32 -86.0613 GPRESSURE: 29200 -50.3399 325.549 -339.475 125.283 205.87 -146.547 -301.614 -153.974 -63.9683 PRESSAVG: 29200 -28.6772 15.6198 -41.3845 15.6198 48.2226 -70.053 -41.3845 -70.053 -5.44769 GPRESSAVG: 29200 -28.7512 15.3182 -41.8787 14.9306 48.5951 -71.2678 -40.7805 -68.1123 -5.75096 TIMING: 29200 CPU: 92.5609, 0.00313354/step Wall: 92.5609, 0.00313354/step, 4.32672 hours remaining, 220.441406 MB of memory in use. ENERGY: 29200 4007.5466 20531.2941 14457.4328 244.9820 -203551.7992 2450.7651 0.0000 0.0000 52072.4837 -109787.2950 299.2613 -161859.7787 -109428.5751 298.9777 0.8827 30.5206 759025.9258 4.6992 4.6977 PRESSURE: 29400 376.038 -61.5638 74.5679 -61.5647 -12.1299 181.627 74.5681 181.626 310.105 GPRESSURE: 29400 313.984 -151.353 81.001 -115.964 98.5989 196.787 171.863 135.568 345.47 PRESSAVG: 29400 83.4558 -24.7613 -17.0008 -24.7613 -24.6611 1.39351 -17.0008 1.39353 13.3285 GPRESSAVG: 29400 83.2323 -24.4466 -17.0846 -23.324 -24.1134 1.56785 -15.9742 -0.0762842 13.4278 TIMING: 29400 CPU: 93.1885, 0.00313801/step Wall: 93.1885, 0.00313801/step, 4.33272 hours remaining, 220.441406 MB of memory in use. ENERGY: 29400 3954.8122 20453.5677 14437.1628 239.9589 -203862.4222 2859.5250 0.0000 0.0000 52167.8966 -109749.4990 299.8096 -161917.3956 -109373.3939 298.9109 224.6712 252.6846 757536.6008 24.0411 24.1822 PRESSURE: 29600 53.7438 -96.9451 120.672 -96.945 -221.847 -173.284 120.673 -173.285 13.4816 GPRESSURE: 29600 109.647 -30.6769 73.5523 -190.338 -224.237 -137.933 80.4871 -86.3962 43.3423 PRESSAVG: 29600 15.6634 -69.1874 -10.612 -69.1874 -18.3909 -44.7519 -10.612 -44.7519 -3.71239 GPRESSAVG: 29600 16.7134 -69.9786 -9.93508 -69.9936 -18.6874 -44.3408 -10.0537 -43.5836 -3.94526 TIMING: 29600 CPU: 93.8164, 0.00313915/step Wall: 93.8164, 0.00313915/step, 4.33413 hours remaining, 220.441406 MB of memory in use. ENERGY: 29600 4026.2238 20682.5858 14492.8885 257.3240 -203532.9429 2516.7926 0.0000 0.0000 51818.3911 -109738.7371 297.8010 -161557.1282 -109373.6631 298.7840 -51.5407 -23.7493 759745.0752 -2.1466 -1.9731 PRESSURE: 29800 -126.096 252.912 227.182 252.912 39.5669 117.939 227.182 117.939 117.806 GPRESSURE: 29800 -67.6759 175.478 168.419 268.914 54.6688 88.0884 251.363 46.2505 115.987 PRESSAVG: 29800 4.41962 -6.02989 4.02171 -6.02994 -15.7843 7.65425 4.02168 7.65427 -31.2876 GPRESSAVG: 29800 3.86247 -3.14794 4.89437 -8.8599 -16.4733 8.27258 1.36833 7.03288 -30.3477 TIMING: 29800 CPU: 94.4452, 0.00314413/step Wall: 94.4452, 0.00314413/step, 4.34082 hours remaining, 220.441406 MB of memory in use. ENERGY: 29800 4091.6116 20642.3182 14428.8336 260.0059 -203519.7754 2710.2968 0.0000 0.0000 51622.8372 -109763.8722 296.6772 -161386.7093 -109410.2077 298.7315 10.4257 34.3267 759745.1927 -14.2174 -14.3195 PRESSURE: 30000 14.3518 149.493 -109.669 149.494 139.873 -17.2621 -109.668 -17.2629 554.744 GPRESSURE: 30000 53.7473 38.3248 -42.0224 178.567 201.235 99.5943 -161.65 5.81119 529.657 PRESSAVG: 30000 37.8435 28.2454 3.15286 28.2454 -0.399839 -67.7436 3.15288 -67.7436 3.5938 GPRESSAVG: 30000 36.9281 26.3872 2.00099 31.932 0.930208 -68.5037 2.99787 -66.6135 3.73106 TIMING: 30000 CPU: 95.0731, 0.00313931/step Wall: 95.0731, 0.00313931/step, 4.33399 hours remaining, 220.441406 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: 30000 4029.3856 20616.4174 14391.0184 240.9737 -203473.3672 2295.4243 0.0000 0.0000 52075.3416 -109824.8061 299.2777 -161900.1477 -109466.1293 298.8825 236.3229 261.5467 756742.0131 13.6792 13.8631 PRESSURE: 30200 -142.557 -209.859 -54.1186 -209.86 107.754 82.2467 -54.1199 82.2474 177.61 GPRESSURE: 30200 -31.7214 -337.082 -47.1502 -155.686 126.132 12.7998 -38.0173 285.196 140.505 PRESSAVG: 30200 -30.8097 2.44458 57.8245 2.44461 -2.26319 28.6373 57.8245 28.6372 -25.6115 GPRESSAVG: 30200 -29.3183 1.71341 57.7118 1.05211 -3.42563 28.8026 57.3131 25.856 -26.1003 TIMING: 30200 CPU: 95.7039, 0.00315393/step Wall: 95.7039, 0.00315393/step, 4.354 hours remaining, 220.441406 MB of memory in use. ENERGY: 30200 3948.5689 20436.5659 14479.4143 248.4886 -203581.5799 2391.5242 0.0000 0.0000 52178.6828 -109898.3354 299.8716 -162077.0181 -109531.2517 298.5845 47.6026 78.3052 760199.4015 -19.5615 -19.6148 PRESSURE: 30400 -283.137 14.5895 347.373 14.59 -581.034 165.81 347.373 165.811 -796.282 GPRESSURE: 30400 -235.58 35.2865 332.141 -49.7255 -499.7 78.0745 193.846 214.198 -809.181 PRESSAVG: 30400 -14.9729 32.7556 53.5059 32.7557 2.99451 30.9784 53.5059 30.9785 -13.7331 GPRESSAVG: 30400 -15.4429 32.4213 53.9675 33.8621 3.55711 31.8706 52.8094 29.5765 -13.1748 TIMING: 30400 CPU: 96.3345, 0.00315304/step Wall: 96.3345, 0.00315304/step, 4.35259 hours remaining, 220.441406 MB of memory in use. ENERGY: 30400 4088.8461 20616.5893 14427.0953 255.6370 -202954.1467 2101.5771 0.0000 0.0000 51860.8296 -109603.5723 298.0449 -161464.4019 -109247.2063 299.1982 -553.4844 -514.8204 761341.4549 -8.5705 -8.3535 PRESSURE: 30600 119.887 108.135 22.2136 108.134 -50.4594 242.112 22.2139 242.112 -42.5181 GPRESSURE: 30600 138.976 57.8403 108.586 2.6048 38.3743 284.491 135.887 217.052 -64.1585 PRESSAVG: 30600 47.2522 28.0517 50.8779 28.0517 -64.5325 54.4987 50.878 54.4987 5.36356 GPRESSAVG: 30600 47.9023 28.7775 50.6797 26.5316 -64.7979 53.0901 54.8668 56.5881 5.2704 TIMING: 30600 CPU: 96.9627, 0.00314136/step Wall: 96.9627, 0.00314136/step, 4.3363 hours remaining, 220.441406 MB of memory in use. ENERGY: 30600 3988.4552 20462.7775 14453.2520 246.9821 -203583.4829 2671.1227 0.0000 0.0000 51986.4553 -109774.4381 298.7669 -161760.8934 -109400.1048 299.2640 8.9698 37.7305 760621.5757 -3.9722 -3.8751 PRESSURE: 30800 -52.3778 -86.0126 109.111 -86.0128 -197.646 55.3421 109.111 55.3428 -284.803 GPRESSURE: 30800 -86.0871 -14.8366 -12.6073 -74.7667 -190.955 46.9589 98.1374 75.1185 -144.944 PRESSAVG: 30800 67.3035 -7.1434 24.2726 -7.14339 -59.4334 -7.02378 24.2725 -7.02378 -11.6029 GPRESSAVG: 30800 67.2227 -8.11516 25.0015 -5.78755 -59.1253 -5.724 23.1152 -7.45542 -11.7525 TIMING: 30800 CPU: 97.602, 0.00319618/step Wall: 97.602, 0.00319618/step, 4.41179 hours remaining, 220.441406 MB of memory in use. ENERGY: 30800 3984.3584 20551.6775 14496.4829 249.5829 -202728.8975 2127.5499 0.0000 0.0000 51886.2862 -109432.9597 298.1912 -161319.2459 -109068.8337 299.2077 -178.2758 -140.6621 762821.8592 -1.2442 -1.2184 PRESSURE: 31000 379 66.2997 -37.1655 66.3004 -152.112 -70.4789 -37.165 -70.4787 290.583 GPRESSURE: 31000 409.095 113.336 -105.03 52.9152 -103.406 11.6593 134.3 -25.3332 294.093 PRESSAVG: 31000 74.1673 -33.5597 5.67896 -33.5597 -59.6057 -9.69253 5.679 -9.69263 4.6897 GPRESSAVG: 31000 74.2057 -30.6229 6.01943 -33.1757 -59.894 -10.2975 4.74727 -9.44624 5.5533 TIMING: 31000 CPU: 98.2358, 0.00316931/step Wall: 98.2358, 0.00316931/step, 4.37453 hours remaining, 220.441406 MB of memory in use. ENERGY: 31000 3996.5646 20620.4842 14489.5384 247.7623 -204021.4251 3021.7040 0.0000 0.0000 52258.0867 -109387.2850 300.3279 -161645.3717 -109021.7713 299.1554 172.4903 199.9273 760363.3749 6.4171 6.6217 PRESSURE: 31200 103.556 0.890906 117.031 0.890895 -28.9583 -89.4925 117.03 -89.4918 -424.216 GPRESSURE: 31200 191.873 -6.0094 114.03 -167.547 -78.0228 -82.9143 169.836 -121.07 -378.165 PRESSAVG: 31200 112.955 -0.0369998 38.6375 -0.0370442 -155.698 5.00949 38.6374 5.00952 -14.7995 GPRESSAVG: 31200 113.735 -1.42132 37.825 -2.2998 -155.68 5.4465 38.3169 3.60886 -15.8314 TIMING: 31200 CPU: 98.8727, 0.00318427/step Wall: 98.8727, 0.00318427/step, 4.39499 hours remaining, 220.441406 MB of memory in use. ENERGY: 31200 3988.0218 20573.6605 14524.1186 259.9300 -202814.4875 2458.6160 0.0000 0.0000 51879.4304 -109130.7102 298.1518 -161010.1406 -108771.5472 299.6103 -116.5394 -88.1049 761843.3782 -19.1811 -19.2590 PRESSURE: 31400 -12.7706 113.602 -169.68 113.602 -280.015 120.515 -169.68 120.514 44.0797 GPRESSURE: 31400 47.892 210.758 -148.097 106.715 -201.172 146.065 -180.669 108.316 11.5247 PRESSAVG: 31400 42.78 36.411 -55.8695 36.4111 -50.3354 -37.8988 -55.8694 -37.8988 14.8767 GPRESSAVG: 31400 41.3097 38.501 -57.3743 38.6689 -49.0573 -38.5391 -56.9062 -36.2986 14.9063 TIMING: 31400 CPU: 99.5111, 0.00319227/step Wall: 99.5111, 0.00319227/step, 4.40586 hours remaining, 220.441406 MB of memory in use. ENERGY: 31400 4039.6809 20503.9873 14499.6183 256.0821 -203100.3851 2316.5908 0.0000 0.0000 52172.3893 -109312.0364 299.8354 -161484.4257 -108949.2647 299.6115 -82.9021 -47.2518 761169.9982 2.4404 2.3862 PRESSURE: 31600 -4.09795 215.378 -168.068 215.377 -327.132 180.495 -168.067 180.495 80.3927 GPRESSURE: 31600 35.8886 136.238 -223.347 217.832 -282.099 221.308 -51.4403 115.236 70.2727 PRESSAVG: 31600 -7.16034 -3.65556 21.1206 -3.65562 -31.6558 0.962287 21.1205 0.962287 -17.1385 GPRESSAVG: 31600 -4.11136 -5.63215 22.9015 -3.10522 -33.9829 0.409568 20.8177 0.20108 -18.0916 TIMING: 31600 CPU: 100.137, 0.00313169/step Wall: 100.137, 0.00313169/step, 4.32208 hours remaining, 220.441406 MB of memory in use. ENERGY: 31600 3988.0982 20558.9079 14475.3322 243.5328 -203639.2908 2748.2051 0.0000 0.0000 52142.8630 -109482.3515 299.6658 -161625.2145 -109124.2807 299.4314 -83.6125 -58.6459 760541.5592 -18.6515 -18.7286 PRESSURE: 31800 -147.123 10.5329 -15.1314 10.5338 -76.5394 -163.835 -15.132 -163.835 -501.389 GPRESSURE: 31800 -52.9288 36.9103 -93.4172 -22.9141 -137.156 -230.342 126.625 -75.8725 -440.929 PRESSAVG: 31800 5.84559 -17.6459 -65.0969 -17.6458 -8.50374 -42.3947 -65.0969 -42.3947 8.23994 GPRESSAVG: 31800 2.67799 -17.5363 -66.1195 -18.3244 -6.26117 -42.0609 -63.5668 -42.113 9.15182 TIMING: 31800 CPU: 100.769, 0.00315793/step Wall: 100.769, 0.00315793/step, 4.35812 hours remaining, 220.441406 MB of memory in use. ENERGY: 31800 3954.6140 20468.1353 14554.8213 258.5826 -203242.6204 2396.0241 0.0000 0.0000 52166.0786 -109444.3645 299.7992 -161610.4431 -109071.9818 299.5330 -241.6838 -210.3382 760957.2599 1.8606 1.8562 PRESSURE: 32000 -100.478 36.4958 70.9976 36.4965 -290.271 -18.6443 70.9979 -18.6454 -127.597 GPRESSURE: 32000 -58.8914 72.1535 65.8255 42.242 -275.622 -31.7784 166.221 -23.8556 -112.173 PRESSAVG: 32000 71.293 -54.3461 1.23111 -54.3461 -68.6564 -0.00415657 1.23107 -0.00422062 11.6011 GPRESSAVG: 32000 72.3285 -54.5063 1.00645 -54.2842 -68.5346 -0.093301 0.671427 0.273623 11.1133 TIMING: 32000 CPU: 101.397, 0.00313975/step Wall: 101.397, 0.00313975/step, 4.33285 hours remaining, 220.441406 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: 32000 4038.1764 20558.4055 14455.6154 221.9158 -203503.9927 2579.8352 0.0000 0.0000 52125.6067 -109524.4377 299.5666 -161650.0444 -109169.7107 299.3046 -172.7822 -148.8954 761336.0858 4.7459 4.9691 PRESSURE: 32200 360.795 40.8156 -127.719 40.8153 -68.517 244.465 -127.719 244.464 -233.805 GPRESSURE: 32200 410.915 -8.89931 -72.742 -54.2213 -72.2567 289.435 -169.971 191.719 -206.61 PRESSAVG: 32200 84.6574 -23.1721 20.9107 -23.1722 -88.7725 47.0531 20.9106 47.0531 2.47173 GPRESSAVG: 32200 84.9852 -22.0873 21.3534 -23.5794 -89.2376 46.7656 20.7806 47.5537 2.55307 TIMING: 32200 CPU: 102.035, 0.00319029/step Wall: 102.035, 0.00319029/step, 4.40242 hours remaining, 220.441406 MB of memory in use. ENERGY: 32200 3972.8830 20433.3805 14413.8030 244.8946 -203155.3849 2505.2346 0.0000 0.0000 52172.7727 -109412.4164 299.8376 -161585.1891 -109044.6146 299.3094 19.4908 44.0162 760477.8047 -0.5478 -0.5664 LDB: ============= START OF LOAD BALANCING ============== 114.463 LDB: ============== END OF LOAD BALANCING =============== 114.464 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 114.465 LDB: ============= START OF LOAD BALANCING ============== 114.783 LDB: Largest compute 7034 load 0.035379 is 18.2% of average load 0.194500 LDB: Average compute 0.004409 is 2.3% of average load 0.194500 LDB: TIME 114.787 LOAD: AVG 0.1945 MAX 0.210441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.5 MB LDB: TIME 114.787 LOAD: AVG 0.1945 MAX 0.210441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.645 MB LDB: TIME 114.787 LOAD: AVG 0.1945 MAX 0.210441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.645 MB LDB: ============== END OF LOAD BALANCING =============== 114.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 114.794 PRESSURE: 32400 -73.6752 -30.7761 -15.5665 -30.7758 231.418 79.4818 -15.5668 79.4825 76.3533 GPRESSURE: 32400 -90.1649 -52.9986 -2.67692 -162.261 330.754 152.214 -20.078 90.7095 68.9051 PRESSAVG: 32400 2.06207 -74.2636 23.557 -74.2636 12.5104 -2.15418 23.557 -2.15418 5.97873 GPRESSAVG: 32400 0.269193 -75.7069 23.076 -74.9891 14.8458 -2.59842 24.6718 -2.16727 5.73744 TIMING: 32400 CPU: 102.688, 0.00326492/step Wall: 102.688, 0.00326492/step, 4.50522 hours remaining, 219.730469 MB of memory in use. ENERGY: 32400 4014.1403 20576.5894 14496.7073 245.2718 -203430.2772 2540.5866 0.0000 0.0000 52227.7092 -109329.2726 300.1534 -161556.9818 -108978.0542 299.7187 78.0321 103.1646 759223.3420 6.8504 6.9508 PRESSURE: 32600 9.27812 169.853 242.537 169.852 -378.88 -36.3723 242.537 -36.3716 -10.3077 GPRESSURE: 32600 -54.9682 -36.2598 163.206 284.162 -264.758 6.68859 234.281 -150.154 33.1121 PRESSAVG: 32600 -8.68398 -8.30488 58.2627 -8.30492 -12.4652 -37.5126 58.2628 -37.5128 -17.0331 GPRESSAVG: 32600 -8.02356 -7.1495 58.3814 -7.62008 -13.9898 -35.5114 57.3329 -37.1998 -16.0814 TIMING: 32600 CPU: 103.321, 0.00316623/step Wall: 103.321, 0.00316623/step, 4.36887 hours remaining, 219.730469 MB of memory in use. ENERGY: 32600 4039.1337 20581.4431 14398.8447 240.2867 -202959.8656 2187.0769 0.0000 0.0000 52170.8937 -109342.1868 299.8268 -161513.0805 -108978.5286 299.9927 -126.6365 -95.5380 760197.9972 -12.7274 -12.6982 PRESSURE: 32800 -90.3289 -71.7719 110.114 -71.772 -83.2733 -167.455 110.114 -167.456 -267.524 GPRESSURE: 32800 -4.47548 -131.242 85.753 -99.146 -155.457 -114.274 2.49761 -113.465 -195.098 PRESSAVG: 32800 38.8126 -50.022 5.40378 -50.022 -3.51171 -40.8366 5.40373 -40.8367 2.26525 GPRESSAVG: 32800 40.1554 -50.5892 5.47921 -50.4788 -4.60226 -40.5324 5.90601 -42.0334 2.29372 TIMING: 32800 CPU: 103.951, 0.00314966/step Wall: 103.951, 0.00314966/step, 4.34584 hours remaining, 219.730469 MB of memory in use. ENERGY: 32800 3999.7709 20602.8818 14468.6655 248.9015 -203064.3664 2671.4888 0.0000 0.0000 51909.3143 -109163.3437 298.3235 -161072.6580 -108801.4938 300.3252 -147.0421 -118.3436 762312.3087 12.5220 12.6156 PRESSURE: 33000 -321.594 -168.482 282.434 -168.481 91.3867 98.5854 282.434 98.5848 535.369 GPRESSURE: 33000 -352.847 -75.7225 198.796 -105.172 120.173 71.272 159.318 33.106 609.585 PRESSAVG: 33000 -26.3954 -42.5958 -14.2501 -42.5958 42.136 24.9684 -14.2501 24.9685 5.25842 GPRESSAVG: 33000 -26.7706 -41.7509 -14.7609 -41.606 42.8779 23.1356 -13.6232 26.1691 5.15362 TIMING: 33000 CPU: 104.582, 0.00315403/step Wall: 104.582, 0.00315403/step, 4.35169 hours remaining, 219.730469 MB of memory in use. ENERGY: 33000 3992.7596 20710.3954 14534.6390 230.4021 -203539.0657 2766.1928 0.0000 0.0000 52247.9799 -109056.6971 300.2699 -161304.6770 -108695.9878 299.9260 101.7208 125.6371 760183.0311 6.9997 7.0870 PRESSURE: 33200 -204.831 90.5197 -110.277 90.5193 -270.45 123.369 -110.278 123.369 -347.056 GPRESSURE: 33200 -184.339 80.3103 -141.172 87.0618 -211.438 136.065 -48.7729 182.114 -354.006 PRESSAVG: 33200 -49.7079 -25.8516 4.04495 -25.8516 33.5325 -1.37284 4.04497 -1.37295 5.61786 GPRESSAVG: 33200 -49.3347 -25.4045 6.35694 -29.0627 33.182 -1.92739 3.41672 -2.28524 5.82818 TIMING: 33200 CPU: 105.215, 0.00316305/step Wall: 105.215, 0.00316305/step, 4.36396 hours remaining, 219.730469 MB of memory in use. ENERGY: 33200 3997.0675 20527.5197 14457.8125 248.4872 -203029.4911 2387.3330 0.0000 0.0000 52400.5715 -109010.6996 301.1468 -161411.2711 -108643.5007 300.0430 -274.1124 -249.9276 762413.4019 -3.5192 -3.4415 PRESSURE: 33400 280.887 -192.375 -233 -192.375 86.9583 149.406 -232.999 149.405 255.078 GPRESSURE: 33400 306.605 -199.955 -319.257 -84.6783 148.218 215.845 -130.021 230.79 241.772 PRESSAVG: 33400 19.1634 -60.5131 -24.9907 -60.513 -0.318918 -6.72718 -24.9907 -6.72711 21.5716 GPRESSAVG: 33400 18.4358 -62.1676 -27.9422 -57.9274 0.814929 -5.12722 -23.2648 -6.2046 21.0848 TIMING: 33400 CPU: 105.842, 0.00313772/step Wall: 105.842, 0.00313772/step, 4.32883 hours remaining, 219.730469 MB of memory in use. ENERGY: 33400 3938.9119 20677.3492 14467.8475 228.2120 -203270.1552 2564.1631 0.0000 0.0000 52263.2461 -109130.4254 300.3576 -161393.6715 -108766.3072 300.4068 207.6410 232.1985 762793.0857 13.4720 13.4452 PRESSURE: 33600 -475.325 -155.015 -136.967 -155.015 67.7671 40.9567 -136.967 40.9556 2.86018 GPRESSURE: 33600 -459.331 -67.6587 -101.582 -186.604 177.434 82.7965 -38.5305 -116.053 -22.0958 PRESSAVG: 33600 23.4894 -24.3858 -23.2817 -24.3858 -10.8519 -33.1606 -23.2817 -33.1606 -2.16496 GPRESSAVG: 33600 24.393 -23.1904 -22.1129 -24.3187 -11.3334 -33.1909 -23.4577 -33.236 -2.93703 TIMING: 33600 CPU: 106.475, 0.00316493/step Wall: 106.475, 0.00316493/step, 4.3662 hours remaining, 219.730469 MB of memory in use. ENERGY: 33600 4003.5707 20555.4228 14409.0995 233.6596 -203050.9034 2438.4479 0.0000 0.0000 52282.5756 -109128.1273 300.4687 -161410.7029 -108745.4136 299.8961 -134.8993 -101.3310 762776.3379 3.4908 3.3742 PRESSURE: 33800 -11.6045 -8.5437 134.783 -8.54447 -207.034 -130.311 134.783 -130.311 334.975 GPRESSURE: 33800 77.5957 12.1907 190.568 77.848 -168.104 -174.414 56.4114 -182.491 291.472 PRESSAVG: 33800 -7.01863 -42.2823 79.64 -42.2823 7.02915 -16.4738 79.64 -16.4737 -7.05312 GPRESSAVG: 33800 -7.03669 -44.1915 82.5314 -43.3624 6.31322 -18.6028 77.7293 -17.3984 -6.48358 TIMING: 33800 CPU: 107.111, 0.00317901/step Wall: 107.111, 0.00317901/step, 4.38544 hours remaining, 219.730469 MB of memory in use. ENERGY: 33800 3985.1624 20564.0464 14492.5621 235.8404 -203748.6172 2753.8968 0.0000 0.0000 52441.8465 -109275.2625 301.3840 -161717.1089 -108904.5598 300.1663 38.7788 66.9879 762478.5510 -2.3475 -2.4024 PRESSURE: 34000 -131 -31.271 -295.501 -31.2711 -221.16 -230.452 -295.501 -230.452 -1.65012 GPRESSURE: 34000 -198.158 12.6444 -253.815 -162.397 -177.935 -175.473 -271.672 -219.719 99.8382 PRESSAVG: 34000 22.778 14.2193 -14.4421 14.2193 -26.3716 -49.1331 -14.442 -49.133 -9.32348 GPRESSAVG: 34000 21.0674 14.7169 -15.7777 14.5206 -25.1457 -47.1422 -12.6882 -50.6539 -8.83166 TIMING: 34000 CPU: 107.745, 0.00317022/step Wall: 107.745, 0.00317022/step, 4.37314 hours remaining, 219.730469 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: 34000 3985.7301 20691.8626 14505.2116 236.5396 -203340.1681 2445.3366 0.0000 0.0000 52233.1583 -109242.3292 300.1847 -161475.4876 -108876.3969 299.7451 -117.9368 -92.0850 761867.5517 -4.3057 -4.3033 PRESSURE: 34200 -349.632 -71.8518 57.8671 -71.8513 -47.7356 -107.477 57.8668 -107.477 -424.89 GPRESSURE: 34200 -302.171 -40.0376 54.0525 -131.53 21.6182 -198.285 38.6458 -180.557 -439.957 PRESSAVG: 34200 21.8624 -6.34172 -47.7871 -6.34172 -30.7041 -40.3454 -47.7871 -40.3453 17.2021 GPRESSAVG: 34200 23.7912 -6.27179 -50.1515 -7.54459 -31.4623 -41.8397 -46.0666 -38.1494 16.1068 TIMING: 34200 CPU: 108.382, 0.00318346/step Wall: 108.382, 0.00318346/step, 4.39123 hours remaining, 219.730469 MB of memory in use. ENERGY: 34200 4080.6780 20461.2386 14479.1643 258.8215 -203187.8866 2404.5176 0.0000 0.0000 52106.6277 -109396.8388 299.4575 -161503.4665 -109040.7510 300.0360 -274.0859 -240.1700 762785.8103 2.7868 2.8119 PRESSURE: 34400 -168.956 -101.652 180.378 -101.651 -61.509 -284.49 180.377 -284.49 107.929 GPRESSURE: 34400 -117.22 -76.2932 178.964 -103.774 -18.4094 -254.139 105.937 -254.121 98.8593 PRESSAVG: 34400 -18.8006 -57.1431 -6.47955 -57.1431 32.2084 -17.8762 -6.47958 -17.8762 4.29711 GPRESSAVG: 34400 -19.4816 -57.39 -5.41924 -55.4538 32.9315 -19.2982 -9.715 -20.1589 4.0716 TIMING: 34400 CPU: 109.015, 0.00316433/step Wall: 109.015, 0.00316433/step, 4.36466 hours remaining, 219.730469 MB of memory in use. ENERGY: 34400 3944.0182 20673.0857 14520.6358 243.3129 -203329.3847 2497.3605 0.0000 0.0000 52140.9888 -109309.9828 299.6550 -161450.9716 -108949.5843 299.8042 -40.8454 -12.2567 761036.7317 5.9017 5.8405 PRESSURE: 34600 -138.085 30.6002 -3.84511 30.6004 -327.143 109.972 -3.84438 109.973 141.748 GPRESSURE: 34600 -42.4789 147.044 -10.1297 47.7137 -332.784 91.062 -1.89993 -36.1643 122.386 PRESSAVG: 34600 -8.29066 -35.8626 23.32 -35.8626 -12.9198 -48.9297 23.3199 -48.9297 -6.16537 GPRESSAVG: 34600 -9.02119 -35.6053 23.6898 -35.0484 -12.8792 -46.1073 24.2671 -48.2173 -5.8142 TIMING: 34600 CPU: 109.642, 0.00313637/step Wall: 109.642, 0.00313637/step, 4.32593 hours remaining, 219.730469 MB of memory in use. ENERGY: 34600 4045.6033 20571.5554 14455.0265 250.4314 -203121.1383 2494.5122 0.0000 0.0000 52059.0241 -109244.9853 299.1839 -161304.0093 -108869.6481 299.7113 -107.8264 -84.2924 760327.8325 -9.1253 -9.2382 PRESSURE: 34800 -267.114 -94.0849 243.295 -94.0851 70.8449 -195.098 243.295 -195.098 43.1423 GPRESSURE: 34800 -274.838 -92.6249 215.903 29.0914 197.048 -148.014 177.369 -143.641 18.8144 PRESSAVG: 34800 -68.9098 -15.8596 -12.2083 -15.8596 72.045 -48.3688 -12.2083 -48.3688 -16.7617 GPRESSAVG: 34800 -68.1432 -14.752 -10.8876 -16.9648 70.6905 -48.0509 -12.7648 -48.2908 -15.9419 TIMING: 34800 CPU: 110.275, 0.00316499/step Wall: 110.275, 0.00316499/step, 4.36522 hours remaining, 219.730469 MB of memory in use. ENERGY: 34800 3976.1754 20387.1213 14509.2780 246.2919 -203299.2352 2649.6218 0.0000 0.0000 52122.3294 -109408.4175 299.5477 -161530.7468 -109037.4887 299.7591 -51.0421 -19.6587 761280.5008 -4.5422 -4.4649 PRESSURE: 35000 -317.922 363.314 117.986 363.314 -38.8878 -152.005 117.987 -152.004 448.268 GPRESSURE: 35000 -194.947 326.955 142.324 368.7 -38.8713 -189.671 -30.1541 -126.435 410.736 PRESSAVG: 35000 -36.3543 -15.9137 -5.01548 -15.9137 25.6794 -4.99216 -5.01545 -4.99209 5.96818 GPRESSAVG: 35000 -37.4581 -15.9153 -7.37258 -16.4023 27.1443 -6.49828 -5.56648 -3.07632 5.48837 TIMING: 35000 CPU: 110.917, 0.00321045/step Wall: 110.917, 0.00321045/step, 4.42774 hours remaining, 219.730469 MB of memory in use. ENERGY: 35000 3983.6887 20488.8850 14459.1004 256.5590 -203758.9549 2587.0104 0.0000 0.0000 52295.0858 -109688.6255 300.5406 -161983.7113 -109314.0485 299.2552 30.4861 58.9724 760695.9134 -1.5689 -1.6085 PRESSURE: 35200 114.978 -49.5051 -206.642 -49.5044 -11.5227 -27.7164 -206.642 -27.7174 -62.2777 GPRESSURE: 35200 73.5806 -89.7951 -176.549 49.3923 78.6052 -36.142 -98.2368 -43.1359 -12.5147 PRESSAVG: 35200 24.1316 -41.9081 -25.9823 -41.9082 -23.5038 -107.305 -25.9823 -107.305 -24.1868 GPRESSAVG: 35200 24.0155 -43.0961 -26.5615 -41.6196 -23.9025 -106.848 -22.286 -108.186 -23.3881 TIMING: 35200 CPU: 111.552, 0.00317727/step Wall: 111.552, 0.00317727/step, 4.38181 hours remaining, 219.730469 MB of memory in use. ENERGY: 35200 3950.0220 20530.3833 14425.4057 246.5524 -203019.7600 2354.3225 0.0000 0.0000 51913.7982 -109599.2761 298.3493 -161513.0743 -109241.9278 299.2996 13.7259 46.5570 759244.4815 -7.8530 -7.7583 PRESSURE: 35400 243.461 -110.094 11.5842 -110.093 160.26 -310.763 11.5842 -310.763 -24.9167 GPRESSURE: 35400 279.498 -147.923 -1.52459 -75.3438 179.198 -332.792 -36.4763 -199.946 9.73284 PRESSAVG: 35400 28.0335 -18.1631 -1.36116 -18.163 -14.9456 -86.3187 -1.36108 -86.3188 19.5707 GPRESSAVG: 35400 28.0451 -17.0695 -0.0464021 -17.4916 -14.376 -86.1714 -4.44543 -85.6342 18.919 TIMING: 35400 CPU: 112.187, 0.00317497/step Wall: 112.187, 0.00317497/step, 4.37846 hours remaining, 219.730469 MB of memory in use. ENERGY: 35400 3928.5668 20473.3161 14491.2700 249.3538 -203701.1938 2689.3805 0.0000 0.0000 52199.3202 -109669.9865 299.9902 -161869.3066 -109302.6336 299.5577 126.2682 156.1429 758536.8540 10.8862 10.8627 PRESSURE: 35600 269.37 -77.6741 31.0181 -77.6742 -107.931 -54.2635 31.0191 -54.2651 33.7211 GPRESSURE: 35600 346.926 -13.6837 70.6596 -24.7722 -40.9818 -111.779 104.625 -0.294248 -29.0749 PRESSAVG: 35600 26.7495 -18.4244 -4.78368 -18.4244 -59.4001 -11.6405 -4.78374 -11.6405 -15.9016 GPRESSAVG: 35600 27.411 -18.7471 -4.97341 -19.3445 -60.0099 -11.5636 -4.53767 -11.6333 -16.8773 TIMING: 35600 CPU: 112.824, 0.00318543/step Wall: 112.824, 0.00318543/step, 4.39271 hours remaining, 219.730469 MB of memory in use. ENERGY: 35600 3940.2270 20522.9668 14498.3125 253.9842 -203359.9374 2521.9449 0.0000 0.0000 52060.1174 -109562.3847 299.1902 -161622.5021 -109201.4957 299.4456 65.0535 92.2897 760529.3205 -16.1841 -16.4921 PRESSURE: 35800 -71.0841 -167.415 68.1221 -167.415 -164.011 77.0378 68.1217 77.0376 342.544 GPRESSURE: 35800 -16.6982 -229.054 117.216 -193.697 -101.13 134.124 81.8959 18.7333 319.678 PRESSAVG: 35800 38.9718 -4.85963 0.337346 -4.85964 4.70578 8.96587 0.337308 8.96594 -11.7978 GPRESSAVG: 35800 38.8591 -4.89619 0.585357 -3.50752 5.14071 9.0947 -0.179902 10.3973 -12.4836 TIMING: 35800 CPU: 113.456, 0.00315687/step Wall: 113.456, 0.00315687/step, 4.35314 hours remaining, 219.730469 MB of memory in use. ENERGY: 35800 4072.5155 20402.7244 14477.1592 236.8961 -203622.8949 2794.9008 0.0000 0.0000 52004.7253 -109633.9736 298.8719 -161638.6989 -109283.0037 299.3063 35.8164 67.2832 760148.6411 10.6266 10.5054 PRESSURE: 36000 12.5211 119.901 -166.587 119.901 -343.426 193.792 -166.587 193.791 -186.304 GPRESSURE: 36000 65.6037 156.122 -166.187 110.551 -354.19 151.785 -134.31 118.599 -136.8 PRESSAVG: 36000 21.4856 -52.4726 24.9305 -52.4727 -29.467 -1.94635 24.9305 -1.94632 -9.01242 GPRESSAVG: 36000 19.9926 -51.9698 24.6895 -51.457 -29.1635 -2.59894 27.0204 -5.48788 -7.92307 TIMING: 36000 CPU: 114.09, 0.00316977/step Wall: 114.09, 0.00316977/step, 4.37076 hours remaining, 219.730469 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: 36000 3985.0322 20618.4441 14506.3680 254.8007 -203257.9081 2368.9063 0.0000 0.0000 52089.4295 -109434.9273 299.3587 -161524.3568 -109072.8539 299.3909 -172.4030 -141.7955 761888.4591 -5.6646 -5.6980 PRESSURE: 36200 -152.487 20.1198 47.0821 20.12 -74.344 0.427902 47.081 0.427891 121.114 GPRESSURE: 36200 -92.172 48.7303 15.0158 -1.64134 -79.0886 -14.3849 -9.09754 -21.703 172.893 PRESSAVG: 36200 29.5721 31.0561 -12.992 31.0561 -43.097 -38.8157 -12.992 -38.8157 -16.5145 GPRESSAVG: 36200 29.8232 29.8191 -13.9912 30.5313 -43.3583 -39.1037 -14.5798 -38.3037 -16.4522 TIMING: 36200 CPU: 114.723, 0.0031655/step Wall: 114.723, 0.0031655/step, 4.36469 hours remaining, 219.730469 MB of memory in use. ENERGY: 36200 4015.2801 20530.8952 14413.7568 242.3837 -203602.7392 2689.6685 0.0000 0.0000 52159.7219 -109551.0331 299.7626 -161710.7550 -109187.7337 299.5719 -35.2389 0.5442 761466.6008 -10.0132 -9.9958 LDB: ============= START OF LOAD BALANCING ============== 127.146 LDB: ============== END OF LOAD BALANCING =============== 127.147 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 127.148 LDB: ============= START OF LOAD BALANCING ============== 127.466 LDB: Largest compute 7047 load 0.034589 is 17.8% of average load 0.194476 LDB: Average compute 0.004413 is 2.3% of average load 0.194476 LDB: TIME 127.469 LOAD: AVG 0.194476 MAX 0.208402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 219.984 MB LDB: TIME 127.47 LOAD: AVG 0.194476 MAX 0.208402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.082 MB LDB: TIME 127.47 LOAD: AVG 0.194476 MAX 0.208402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.082 MB LDB: ============== END OF LOAD BALANCING =============== 127.472 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 127.476 PRESSURE: 36400 -53.1148 -252.822 82.0469 -252.823 323.996 -34.6009 82.0467 -34.6018 39.757 GPRESSURE: 36400 69.8137 -191.287 89.3311 -279.515 333.923 -31.2844 47.7815 -7.18653 -0.564789 PRESSAVG: 36400 -24.318 -1.09543 20.1661 -1.09549 -9.12868 11.8154 20.1661 11.8153 -5.37391 GPRESSAVG: 36400 -22.8669 0.411416 20.0226 -2.49149 -11.3512 12.6235 21.2929 12.876 -4.14108 TIMING: 36400 CPU: 115.37, 0.00323613/step Wall: 115.37, 0.00323613/step, 4.46191 hours remaining, 218.960938 MB of memory in use. ENERGY: 36400 3992.7369 20584.8464 14441.9419 240.7643 -203254.3057 2476.5013 0.0000 0.0000 51891.5170 -109625.9978 298.2213 -161517.5148 -109264.1180 299.1177 103.5461 134.3908 761940.0012 -12.9402 -12.7864 PRESSURE: 36600 -473.027 120.214 45.2309 120.214 -374.959 -13.4613 45.2318 -13.4624 -193.939 GPRESSURE: 36600 -419.041 21.8298 25.3197 33.7476 -245.736 91.0726 29.88 8.41945 -277.383 PRESSAVG: 36600 -5.34392 -13.9589 20.3712 -13.9589 -30.1004 -43.0817 20.3712 -43.0817 -22.2093 GPRESSAVG: 36600 -5.74399 -14.7803 18.6335 -12.6316 -28.8972 -41.5912 20.8533 -41.4774 -23.2694 TIMING: 36600 CPU: 116.013, 0.00321335/step Wall: 116.013, 0.00321335/step, 4.43032 hours remaining, 218.960938 MB of memory in use. ENERGY: 36600 3990.2680 20554.3747 14535.6928 254.6362 -203366.3252 2455.7071 0.0000 0.0000 52159.4573 -109416.1892 299.7611 -161575.6465 -109051.9770 299.4292 -347.3084 -314.0537 763492.3953 -19.2179 -19.3036 PRESSURE: 36800 246.681 -133.987 90.2463 -133.987 143.192 4.1631 90.2477 4.16333 150.351 GPRESSURE: 36800 193.644 -66.2056 60.7915 -61.1634 273.627 -12.2825 0.305449 -62.4347 149.135 PRESSAVG: 36800 -33.7025 -41.5315 26.586 -41.5315 8.71743 -13.304 26.586 -13.3039 34.9984 GPRESSAVG: 36800 -33.7196 -40.6411 27.7319 -42.5112 9.75109 -15.1112 24.811 -15.9774 34.1111 TIMING: 36800 CPU: 116.648, 0.003176/step Wall: 116.648, 0.003176/step, 4.37864 hours remaining, 219.164062 MB of memory in use. ENERGY: 36800 3925.9750 20606.9287 14544.7132 236.1747 -203899.8240 2772.6310 0.0000 0.0000 52365.1381 -109448.2633 300.9432 -161813.4014 -109082.9571 299.8679 180.0747 205.4687 760317.4102 3.3378 3.3808 PRESSURE: 37000 44.8038 50.6416 49.2517 50.6406 142.087 -348.654 49.252 -348.655 188.785 GPRESSURE: 37000 143.456 2.95138 57.4631 14.3929 167.65 -231.486 -2.12523 -404.938 141.798 PRESSAVG: 37000 28.653 -13.8674 28.9437 -13.8674 -35.2699 -23.2611 28.9437 -23.261 -1.63977 GPRESSAVG: 37000 29.6072 -14.9135 29.6377 -12.7185 -37.1957 -22.8156 27.1413 -22.7741 -1.04238 TIMING: 37000 CPU: 117.279, 0.00315383/step Wall: 117.279, 0.00315383/step, 4.34791 hours remaining, 219.164062 MB of memory in use. ENERGY: 37000 3928.7774 20557.8116 14425.7085 255.4497 -203612.5454 2631.9216 0.0000 0.0000 52296.2422 -109516.6343 300.5472 -161812.8766 -109149.3889 299.9558 125.2252 150.9681 761463.9524 -2.7522 -2.8770 PRESSURE: 37200 115.733 -215.729 70.8586 -215.729 -15.7112 156.725 70.8592 156.725 -342.535 GPRESSURE: 37200 247.622 -247.706 -5.84164 -8.68504 -76.0545 77.9698 210.092 134.855 -316.715 PRESSAVG: 37200 26.839 -42.3238 -7.08962 -42.3238 -54.3652 -82.171 -7.08964 -82.171 10.1576 GPRESSAVG: 37200 25.5714 -41.7722 -8.4526 -43.3584 -52.633 -81.8156 -5.62436 -82.4283 9.36078 TIMING: 37200 CPU: 117.916, 0.00318392/step Wall: 117.916, 0.00318392/step, 4.38921 hours remaining, 219.164062 MB of memory in use. ENERGY: 37200 4086.3433 20446.7738 14456.3674 259.2582 -203007.3219 2397.1235 0.0000 0.0000 52001.5454 -109359.9104 298.8536 -161361.4557 -108995.5201 300.0857 -80.8379 -48.3825 761056.9207 -5.7895 -5.9003 PRESSURE: 37400 597.785 -99.5843 -121.649 -99.5842 379.681 -9.14973 -121.649 -9.15017 481.705 GPRESSURE: 37400 652.137 -40.5806 -39.9151 -172.798 434.083 1.34404 -24.4384 82.7907 481.172 PRESSAVG: 37400 20.1388 -60.1428 37.6778 -60.1428 -8.60751 -1.14692 37.6778 -1.14688 15.6028 GPRESSAVG: 37400 21.5642 -60.795 38.8075 -59.7548 -10.5446 -1.149 39.3832 -0.39647 16.7768 TIMING: 37400 CPU: 118.556, 0.00320186/step Wall: 118.556, 0.00320186/step, 4.41377 hours remaining, 219.164062 MB of memory in use. ENERGY: 37400 3925.6034 20486.2618 14559.6675 258.8143 -203636.6284 2619.1039 0.0000 0.0000 52460.7357 -109326.4418 301.4926 -161787.1775 -108961.9184 300.2063 486.3901 522.4637 759448.5706 9.0447 9.2655 PRESSURE: 37600 253.446 -286.507 -20.3637 -286.507 239.073 92.4201 -20.3634 92.4191 204.099 GPRESSURE: 37600 260.556 -367.676 -74.2577 -384.489 323.313 55.0614 -13.7677 -31.9825 212.051 PRESSAVG: 37600 0.0178409 -14.7582 -27.0731 -14.7583 8.84396 17.2325 -27.0732 17.2324 -2.85696 GPRESSAVG: 37600 -1.01004 -14.5092 -27.472 -14.5932 9.46286 16.6668 -30.0861 17.4617 -2.6676 TIMING: 37600 CPU: 119.196, 0.0032004/step Wall: 119.196, 0.0032004/step, 4.41158 hours remaining, 219.363281 MB of memory in use. ENERGY: 37600 4043.5490 20419.0564 14402.4967 257.1207 -203436.2094 2697.4262 0.0000 0.0000 52159.1389 -109457.4215 299.7593 -161616.5603 -109088.5132 299.9929 232.2061 265.3066 761909.2112 2.0016 1.9284 PRESSURE: 37800 172.014 -27.4204 -87.5358 -27.4206 608.08 31.5034 -87.5355 31.5027 67.8206 GPRESSURE: 37800 182.049 -106.652 -93.9984 -97.6675 666.951 69.7416 -92.3853 -24.0416 88.3274 PRESSAVG: 37800 6.38197 -41.8034 -80.1595 -41.8035 -15.4417 70.2928 -80.1594 70.2928 0.538137 GPRESSAVG: 37800 5.58282 -43.9623 -80.3665 -43.1114 -14.7942 70.3552 -78.3676 69.7253 0.278321 TIMING: 37800 CPU: 119.827, 0.00315256/step Wall: 119.827, 0.00315256/step, 4.34546 hours remaining, 219.363281 MB of memory in use. ENERGY: 37800 3987.8739 20809.7739 14472.7247 260.8117 -203466.7492 2590.0254 0.0000 0.0000 51958.7033 -109386.8363 298.6074 -161345.5396 -109047.1267 299.5066 282.6381 312.4427 759279.8316 -2.8405 -2.9777 PRESSURE: 38000 233.889 -22.5894 -183.559 -22.5901 -51.1931 115.636 -183.559 115.636 -341.164 GPRESSURE: 38000 262.506 -32.4186 -174.124 -19.8983 -35.3317 192.51 -79.7354 58.5607 -273.7 PRESSAVG: 38000 19.8319 -61.0072 -26.9029 -61.0072 9.28184 35.3758 -26.9029 35.3758 -3.56895 GPRESSAVG: 38000 20.764 -60.503 -26.5842 -58.3944 8.73624 35.9625 -25.7611 34.2959 -3.05321 TIMING: 38000 CPU: 120.459, 0.00316087/step Wall: 120.459, 0.00316087/step, 4.35674 hours remaining, 219.363281 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: 38000 3977.3560 20537.2262 14438.0524 240.7641 -202924.8919 2558.1880 0.0000 0.0000 51958.2004 -109215.1048 298.6045 -161173.3051 -108852.5946 299.6455 -52.8228 -15.5084 761617.1398 8.5149 8.8157 PRESSURE: 38200 -163.544 -108.699 -58.0106 -108.699 -165.944 -179.126 -58.0109 -179.126 244.139 GPRESSURE: 38200 21.4268 -197.195 -4.47393 -126.201 -190.558 -167.843 -113.903 -146.562 163.047 PRESSAVG: 38200 19.281 -21.1384 -40.2636 -21.1384 -23.6944 -3.66347 -40.2637 -3.66343 46.6576 GPRESSAVG: 38200 20.4348 -20.2676 -40.0428 -20.9861 -24.2651 -4.40191 -43.1367 -1.83262 45.3456 TIMING: 38200 CPU: 121.093, 0.00317338/step Wall: 121.093, 0.00317338/step, 4.37379 hours remaining, 219.371094 MB of memory in use. ENERGY: 38200 4021.2942 20318.8512 14432.5979 239.1744 -202872.4890 2413.9650 0.0000 0.0000 52257.2605 -109189.3458 300.3232 -161446.6063 -108839.3462 299.1592 -28.4499 -2.0281 761959.1331 14.0814 13.8384 PRESSURE: 38400 -316.419 -45.3152 25.1782 -45.316 -155.437 30.3825 25.1784 30.383 66.8899 GPRESSURE: 38400 -225.563 -79.7586 -14.05 -100.767 -200.106 -11.1424 34.7649 -16.0462 97.1126 PRESSAVG: 38400 65.491 17.6905 -29.4283 17.6905 -25.6175 1.03845 -29.4283 1.0384 29.2496 GPRESSAVG: 38400 63.5793 16.1868 -28.0553 14.8029 -24.8281 0.0122285 -28.4607 -0.531063 30.5878 TIMING: 38400 CPU: 121.721, 0.00313913/step Wall: 121.721, 0.00313913/step, 4.32643 hours remaining, 219.476562 MB of memory in use. ENERGY: 38400 3979.6610 20489.6834 14467.2684 251.9911 -202818.5063 2476.8280 0.0000 0.0000 52030.1397 -109122.9348 299.0179 -161153.0745 -108767.8152 299.4795 -134.9888 -109.5190 762467.9024 23.0410 23.1130 PRESSURE: 38600 441.338 8.74518 -102.44 8.74545 -188.988 -65.5369 -102.44 -65.5368 72.8464 GPRESSURE: 38600 426.329 46.525 12.7034 63.5574 -110.271 -0.959207 -46.8397 -100.392 94.587 PRESSAVG: 38600 38.6685 5.77669 23.0899 5.77662 -67.5842 -4.03459 23.0899 -4.03466 -29.091 GPRESSAVG: 38600 38.8708 6.87124 23.8445 8.69929 -67.4392 -2.31329 22.0975 -3.71568 -29.7876 TIMING: 38600 CPU: 122.35, 0.00314308/step Wall: 122.35, 0.00314308/step, 4.33169 hours remaining, 219.476562 MB of memory in use. ENERGY: 38600 3960.3956 20595.8627 14476.5808 234.7680 -203381.2037 2936.8681 0.0000 0.0000 52094.2512 -109082.4772 299.3864 -161176.7284 -108724.3755 299.7711 108.3988 136.8816 762336.3488 -19.3356 -19.4520 PRESSURE: 38800 232.439 181.587 -116.004 181.588 -61.0047 -19.4281 -116.005 -19.4278 -253.832 GPRESSURE: 38800 95.5754 178.679 -124.791 72.0022 71.6722 -24.0953 -229.285 46.0801 -163.841 PRESSAVG: 38800 61.8965 14.4088 41.2934 14.4088 -41.5682 4.44466 41.2934 4.44461 -0.212149 GPRESSAVG: 38800 61.5027 13.4514 39.653 11.796 -41.8872 4.0415 42.7147 5.09115 0.149344 TIMING: 38800 CPU: 122.979, 0.00314352/step Wall: 122.979, 0.00314352/step, 4.33212 hours remaining, 219.511719 MB of memory in use. ENERGY: 38800 4037.8032 20468.5584 14519.5301 225.9432 -203426.6529 2717.0880 0.0000 0.0000 52238.0570 -109219.6731 300.2128 -161457.7301 -108858.5263 300.1075 -27.4657 1.1354 760673.1441 6.7054 6.5883 PRESSURE: 39000 333.251 -68.6367 3.84963 -68.638 0.441116 -29.8004 3.84965 -29.8002 106.674 GPRESSURE: 39000 438.653 -73.8657 -89.4595 26.6291 -69.0708 -5.82904 45.6542 -15.2379 163.304 PRESSAVG: 39000 82.7451 -37.7143 -14.8169 -37.7143 -72.4306 -27.5042 -14.8169 -27.5042 4.30088 GPRESSAVG: 39000 82.7865 -35.7879 -15.1915 -37.1869 -72.3374 -28.0584 -15.1952 -27.1117 3.97986 TIMING: 39000 CPU: 123.613, 0.0031703/step Wall: 123.613, 0.0031703/step, 4.36885 hours remaining, 219.511719 MB of memory in use. ENERGY: 39000 3968.0555 20574.1891 14555.4119 244.4292 -203676.8451 2868.2312 0.0000 0.0000 52475.9348 -108990.5936 301.5799 -161466.5284 -108626.1912 300.2213 146.7887 177.6287 761308.4937 4.8718 4.8096 PRESSURE: 39200 -138.567 0.574591 104.577 0.575057 -208.31 159.795 104.576 159.794 203.471 GPRESSURE: 39200 -137.31 -75.6301 79.9959 45.75 -167.335 179.583 108.78 51.5604 234.583 PRESSAVG: 39200 27.2127 -38.0819 -15.365 -38.0819 -6.74839 -13.3059 -15.365 -13.306 5.21407 GPRESSAVG: 39200 27.8544 -37.7198 -14.4151 -37.5226 -6.84605 -14.1797 -13.8736 -12.0158 4.9821 TIMING: 39200 CPU: 124.247, 0.00317113/step Wall: 124.247, 0.00317113/step, 4.36982 hours remaining, 219.562500 MB of memory in use. ENERGY: 39200 4080.1610 20663.8005 14486.4708 244.4982 -203248.6629 2538.8423 0.0000 0.0000 52202.9695 -109031.9206 300.0112 -161234.8901 -108667.9705 300.6934 -47.8020 -23.3543 763319.4108 8.5594 8.6635 PRESSURE: 39400 17.3361 -80.2814 -223.448 -80.2806 -34.6658 -96.291 -223.447 -96.2916 192.035 GPRESSURE: 39400 20.1422 -77.0455 -202.739 -72.5507 84.2273 -53.8211 -121.108 -244.632 177.238 PRESSAVG: 39400 2.07264 -4.36487 44.2339 -4.36489 1.93402 -4.91056 44.2339 -4.91059 9.03637 GPRESSAVG: 39400 1.79406 -6.02346 42.5486 -3.47635 2.05031 -4.05843 43.2705 -8.35626 9.59304 TIMING: 39400 CPU: 124.879, 0.00316058/step Wall: 124.879, 0.00316058/step, 4.35511 hours remaining, 219.570312 MB of memory in use. ENERGY: 39400 3982.0696 20528.6682 14438.3424 250.4322 -203390.6767 2477.3190 0.0000 0.0000 52361.7343 -109352.1109 300.9236 -161713.8452 -108990.4996 299.8246 58.2350 93.8691 761755.1030 4.3477 4.4791 PRESSURE: 39600 -175.65 107.613 48.2344 107.613 -191.214 -76.0229 48.235 -76.0216 262.046 GPRESSURE: 39600 -129.93 132.884 -59.4866 100.387 -139.113 -89.8965 -100.938 -27.069 232.879 PRESSAVG: 39600 15.8967 -63.2917 0.939955 -63.2916 18.8762 6.24362 0.939956 6.24358 -17.213 GPRESSAVG: 39600 17.3215 -64.0328 2.23188 -62.5192 19.2845 7.34619 0.370486 7.46806 -19.1079 TIMING: 39600 CPU: 125.512, 0.00316583/step Wall: 125.512, 0.00316583/step, 4.36217 hours remaining, 219.640625 MB of memory in use. ENERGY: 39600 4062.5059 20646.5676 14471.9553 264.1611 -203508.3760 2671.7766 0.0000 0.0000 51907.1665 -109484.2430 298.3112 -161391.4095 -109131.5759 299.2245 -34.9395 -12.0545 761370.8387 5.8533 5.8327 PRESSURE: 39800 -332.906 41.0614 -27.7881 41.0619 -149.308 103.123 -27.7873 103.123 -331.503 GPRESSURE: 39800 -293.726 57.9326 -49.3975 54.4213 -205.635 57.4713 7.16692 180.685 -222.078 PRESSAVG: 39800 13.4335 -46.5424 11.2714 -46.5423 -12.7361 7.81848 11.2713 7.81851 -26.5774 GPRESSAVG: 39800 12.8687 -45.9183 10.7544 -50.3241 -14.097 4.58507 10.2774 8.37588 -24.5801 TIMING: 39800 CPU: 126.145, 0.00316275/step Wall: 126.145, 0.00316275/step, 4.35775 hours remaining, 219.640625 MB of memory in use. ENERGY: 39800 4014.8882 20564.2229 14492.2803 220.5212 -203011.3179 2418.3872 0.0000 0.0000 52032.4699 -109268.5480 299.0313 -161301.0180 -108908.3592 299.4774 -271.2388 -240.4800 761832.3016 -8.6267 -8.6028 PRESSURE: 40000 -156.006 -141.4 94.8271 -141.401 82.4697 -119.48 94.8273 -119.48 83.0298 GPRESSURE: 40000 -34.5959 -123.978 86.2677 -135.238 66.6081 -121.404 170.46 -22.7213 63.775 PRESSAVG: 40000 55.1835 -58.7105 -31.4069 -58.7105 -17.9664 14.1345 -31.407 14.1345 26.2523 GPRESSAVG: 40000 54.3293 -58.0723 -29.6384 -56.695 -16.5346 15.5211 -29.8023 12.7719 26.0723 TIMING: 40000 CPU: 126.781, 0.00318289/step Wall: 126.781, 0.00318289/step, 4.38532 hours remaining, 219.640625 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: 40000 4022.9724 20740.0211 14311.1953 240.3706 -202763.0595 2208.5536 0.0000 0.0000 51692.5936 -109547.3529 297.0780 -161239.9465 -109195.5684 299.1865 3.1646 31.9291 761686.8064 21.1565 21.2890 PRESSURE: 40200 41.286 -210.378 -59.2668 -210.377 160.311 -106.213 -59.2665 -106.213 -282.157 GPRESSURE: 40200 88.0516 -179.261 -124.197 -272.5 163.167 11.9681 -114.241 -231.889 -253.011 PRESSAVG: 40200 -13.1206 -25.7795 -32.4651 -25.7796 12.1611 -5.42185 -32.4652 -5.42177 -16.5972 GPRESSAVG: 40200 -12.0178 -25.6379 -33.7246 -25.9574 11.4722 -4.46656 -34.6596 -4.24527 -17.445 TIMING: 40200 CPU: 127.416, 0.00317482/step Wall: 127.416, 0.00317482/step, 4.37402 hours remaining, 219.648438 MB of memory in use. ENERGY: 40200 3974.2307 20506.1469 14342.3263 261.9398 -203898.3351 2885.2233 0.0000 0.0000 52035.4130 -109893.0551 299.0482 -161928.4681 -109537.3017 299.0130 -26.8533 -0.5974 760736.2010 -5.8522 -5.9969 LDB: ============= START OF LOAD BALANCING ============== 139.846 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 139.846 LDB: =============== DONE WITH MIGRATION ================ 139.848 LDB: ============= START OF LOAD BALANCING ============== 140.168 LDB: Largest compute 7033 load 0.034839 is 17.9% of average load 0.194616 LDB: Average compute 0.004378 is 2.2% of average load 0.194616 LDB: TIME 140.171 LOAD: AVG 0.194616 MAX 0.211034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.723 MB LDB: TIME 140.172 LOAD: AVG 0.194616 MAX 0.211034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.723 MB LDB: TIME 140.172 LOAD: AVG 0.194616 MAX 0.211034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.723 MB LDB: ============== END OF LOAD BALANCING =============== 140.174 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 140.179 PRESSURE: 40400 281.075 -19.4656 -177.602 -19.4659 283.947 -4.81071 -177.602 -4.81045 311.13 GPRESSURE: 40400 384.258 -19.0804 -117.311 -25.1128 340.666 4.37908 -145.519 -75.4352 227.647 PRESSAVG: 40400 34.8848 -81.3669 15.9454 -81.3669 -21.1355 -18.2638 15.9454 -18.2639 19.2338 GPRESSAVG: 40400 35.7483 -82.3983 15.542 -80.2876 -20.9174 -18.4661 17.0208 -17.4811 18.2003 TIMING: 40400 CPU: 128.072, 0.00328119/step Wall: 128.072, 0.00328119/step, 4.52039 hours remaining, 218.949219 MB of memory in use. ENERGY: 40400 3985.0957 20405.2918 14419.8447 257.4018 -203722.7050 2878.1978 0.0000 0.0000 52050.6574 -109726.2157 299.1358 -161776.8731 -109358.5909 297.9023 292.0505 317.5238 763538.2077 10.9944 11.0104 PRESSURE: 40600 -247.756 81.8753 56.6394 81.8752 -90.0172 119.162 56.6403 119.161 -423.085 GPRESSURE: 40600 -268.562 81.465 141.978 167.013 -63.8603 -4.39546 208.871 122.092 -333.903 PRESSAVG: 40600 -8.55814 -41.5714 13.2572 -41.5714 27.0631 -35.0497 13.2571 -35.0497 -22.9052 GPRESSAVG: 40600 -10.8783 -40.7047 13.595 -42.3743 27.3848 -35.3172 13.9775 -36.868 -21.2439 TIMING: 40600 CPU: 128.717, 0.00322317/step Wall: 128.717, 0.00322317/step, 4.44028 hours remaining, 219.207031 MB of memory in use. ENERGY: 40600 3976.8330 20569.6837 14426.4227 237.7079 -203580.9556 2478.9469 0.0000 0.0000 52123.8209 -109767.5405 299.5563 -161891.3614 -109402.6133 298.7290 -253.6193 -222.1085 760840.7170 -1.4668 -1.5791 PRESSURE: 40800 290.185 51.717 75.5051 51.7165 327.712 207.868 75.5055 207.866 58.382 GPRESSURE: 40800 299.603 43.6749 29.952 -33.1515 303.953 144.322 123.811 253.892 143.22 PRESSAVG: 40800 -11.4059 -29.8635 49.5522 -29.8635 17.6346 -28.9259 49.5523 -28.9258 17.9032 GPRESSAVG: 40800 -10.17 -30.5508 49.5286 -30.2238 15.709 -28.4545 49.2365 -27.0488 18.4211 TIMING: 40800 CPU: 129.362, 0.00322643/step Wall: 129.362, 0.00322643/step, 4.44458 hours remaining, 219.472656 MB of memory in use. ENERGY: 40800 3991.3295 20581.2927 14399.2953 259.6875 -203897.4096 2837.2569 0.0000 0.0000 52166.1041 -109662.4436 299.7993 -161828.5476 -109311.9550 299.4746 225.4264 248.9253 762050.9070 8.0440 7.9867 PRESSURE: 41000 43.1182 -152.915 169.871 -152.915 -136.458 -322.096 169.871 -322.097 -270.941 GPRESSURE: 41000 48.8577 -181.234 140.577 -77.5103 -94.9234 -320.53 142.561 -331.322 -237.699 PRESSAVG: 41000 21.1705 -8.60772 14.2631 -8.60776 -16.9557 -24.1068 14.2631 -24.1067 16.2602 GPRESSAVG: 41000 20.8019 -8.12801 13.4333 -7.51201 -15.5775 -22.8601 13.9707 -24.4629 15.8157 TIMING: 41000 CPU: 130.011, 0.00324244/step Wall: 130.011, 0.00324244/step, 4.46647 hours remaining, 219.476562 MB of memory in use. ENERGY: 41000 3941.3039 20508.0422 14418.9978 271.5600 -203472.7985 2460.3355 0.0000 0.0000 52154.2091 -109718.3500 299.7310 -161872.5590 -109361.1901 299.5268 -121.4268 -94.5882 761506.2186 6.8250 7.0134 PRESSURE: 41200 -114.416 -46.2796 31.4271 -46.2788 30.8861 29.9474 31.4265 29.9479 -238.303 GPRESSURE: 41200 -43.7807 -28.3175 50.5077 -11.5266 10.7456 -11.3218 13.061 60.732 -187.695 PRESSAVG: 41200 51.7071 -20.2873 15.923 -20.2873 -24.9993 7.21607 15.9229 7.21611 5.916 GPRESSAVG: 41200 52.683 -18.8414 15.3856 -21.0906 -25.8319 4.55487 14.957 6.38155 5.71933 TIMING: 41200 CPU: 130.646, 0.0031773/step Wall: 130.646, 0.0031773/step, 4.37655 hours remaining, 219.476562 MB of memory in use. ENERGY: 41200 3973.6922 20714.7312 14390.6930 234.4359 -203311.3750 2258.7364 0.0000 0.0000 52176.6940 -109562.3922 299.8602 -161739.0862 -109190.3120 299.5086 -107.2775 -73.5766 760254.3458 10.8746 10.8568 PRESSURE: 41400 253.579 -111.879 87.4795 -111.879 0.80158 36.9042 87.4792 36.9044 -30.9447 GPRESSURE: 41400 215.229 -44.9025 88.5912 -106.135 70.9763 103.716 -72.0612 -66.0141 14.9302 PRESSAVG: 41400 41.2351 -21.5949 -14.5818 -21.5949 -17.1411 15.9044 -14.5818 15.9043 -33.5741 GPRESSAVG: 41400 40.936 -22.2996 -13.5309 -19.3409 -16.3431 15.156 -14.5925 17.5464 -33.8663 TIMING: 41400 CPU: 131.281, 0.00317203/step Wall: 131.281, 0.00317203/step, 4.36911 hours remaining, 219.476562 MB of memory in use. ENERGY: 41400 4039.8168 20657.6589 14434.5298 269.8242 -203706.9082 2631.0121 0.0000 0.0000 51919.1122 -109754.9542 298.3799 -161674.0664 -109394.5522 299.3371 74.4786 100.3785 760475.4505 -3.1600 -3.0911 PRESSURE: 41600 -19.6404 -29.0097 366.462 -29.0101 47.4403 -115.441 366.461 -115.44 234.515 GPRESSURE: 41600 -26.8969 46.0104 412.572 41.4837 98.7071 -65.4595 336.516 -156.582 272.161 PRESSAVG: 41600 29.7951 -10.5025 -39.0351 -10.5025 34.8907 11.2161 -39.0352 11.2161 3.0697 GPRESSAVG: 41600 28.7059 -12.906 -40.6307 -11.1139 35.2214 12.5059 -36.6206 9.47804 3.52998 TIMING: 41600 CPU: 131.912, 0.00315539/step Wall: 131.912, 0.00315539/step, 4.34602 hours remaining, 219.480469 MB of memory in use. ENERGY: 41600 4014.8033 20362.8601 14392.3173 230.8467 -203867.5588 2696.8237 0.0000 0.0000 52427.2134 -109742.6943 301.2999 -162169.9077 -109371.9207 299.2641 87.4383 114.6572 759498.7727 22.5852 22.4858 PRESSURE: 41800 -66.0311 -72.349 17.8665 -72.3499 233.126 63.1183 17.8667 63.1175 -37.0704 GPRESSURE: 41800 -24.845 -170.452 58.218 8.79262 303.109 45.1932 66.3263 118.726 -72.6354 PRESSAVG: 41800 19.3955 -33.4629 -21.3319 -33.4629 -30.0274 -3.62483 -21.3319 -3.62484 21.2181 GPRESSAVG: 41800 19.9178 -33.4259 -20.0511 -33.8584 -30.3209 -3.25647 -22.4056 -1.3631 20.5057 TIMING: 41800 CPU: 132.538, 0.0031331/step Wall: 132.538, 0.0031331/step, 4.31515 hours remaining, 219.480469 MB of memory in use. ENERGY: 41800 4002.7256 20343.2095 14540.4678 261.6481 -203539.6220 2571.8055 0.0000 0.0000 52203.9521 -109615.8134 300.0168 -161819.7656 -109250.0895 299.5212 43.3414 68.5427 760098.5601 3.5287 3.3675 PRESSURE: 42000 145.709 52.727 -279.3 52.7272 -361.682 -146.661 -279.3 -146.662 227.395 GPRESSURE: 42000 158.113 125.143 -291.809 16.0905 -279.235 -122.368 -210.8 -102.883 234.173 PRESSAVG: 42000 17.3405 -28.6155 -58.4286 -28.6155 -51.2601 17.7133 -58.4286 17.7133 11.3932 GPRESSAVG: 42000 17.2514 -26.3478 -59.4395 -28.6777 -52.8911 17.9378 -57.1583 16.9153 12.8365 TIMING: 42000 CPU: 133.167, 0.0031432/step Wall: 133.167, 0.0031432/step, 4.32888 hours remaining, 219.480469 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: 42000 3944.4861 20358.2959 14447.0105 265.3039 -203235.7334 2335.0306 0.0000 0.0000 52345.4927 -109540.1137 300.8303 -161885.6064 -109162.3468 299.5638 3.8073 37.6837 760058.9509 -7.5088 -7.6011 PRESSURE: 42200 -290.811 -80.3451 67.8082 -80.344 -115.702 -108.275 67.8089 -108.276 137.043 GPRESSURE: 42200 -211.66 -125.026 -3.65491 -107.436 -124.119 -79.0347 120.121 -100.728 157.782 PRESSAVG: 42200 7.08802 -51.7937 -15.1677 -51.7937 5.5444 7.87304 -15.1677 7.87295 -17.0552 GPRESSAVG: 42200 7.321 -52.9592 -15.2509 -53.0634 6.67044 9.58377 -16.9435 6.32956 -18.2245 TIMING: 42200 CPU: 133.813, 0.00322761/step Wall: 133.813, 0.00322761/step, 4.44496 hours remaining, 219.496094 MB of memory in use. ENERGY: 42200 3921.2636 20556.4079 14399.2537 268.3393 -203181.3859 2455.0075 0.0000 0.0000 51981.9755 -109599.1383 298.7411 -161581.1139 -109236.3211 299.5460 -89.8231 -59.3324 762928.0781 -1.4743 -1.4110 PRESSURE: 42400 26.91 32.0912 -177.149 32.0911 435.576 111.804 -177.15 111.804 -188.496 GPRESSURE: 42400 4.89783 -52.0358 -95.7587 3.37978 506.763 58.1016 -83.9687 89.5676 -159.86 PRESSAVG: 42400 -17.118 -15.5982 -39.7592 -15.5983 11.5958 3.20164 -39.7592 3.20169 8.01805 GPRESSAVG: 42400 -17.3663 -16.9835 -40.138 -14.9736 11.6779 1.78865 -37.3343 1.53039 8.06984 TIMING: 42400 CPU: 134.447, 0.00317214/step Wall: 134.447, 0.00317214/step, 4.36839 hours remaining, 219.496094 MB of memory in use. ENERGY: 42400 3928.8787 20574.3374 14432.7346 254.8510 -203300.3658 2340.4486 0.0000 0.0000 52073.7995 -109695.3160 299.2688 -161769.1155 -109329.6786 299.5747 91.3302 117.2671 760852.3701 0.8319 0.7938 PRESSURE: 42600 -108.706 61.7276 148.397 61.728 -6.01426 -29.4191 148.396 -29.4183 349.302 GPRESSURE: 42600 41.8483 63.0036 144.883 78.6949 -13.9882 8.57088 150.677 21.8984 303.465 PRESSAVG: 42600 3.08672 -41.8689 4.14049 -41.8689 16.5453 23.5616 4.14049 23.5615 1.76983 GPRESSAVG: 42600 3.19984 -41.6934 5.21722 -40.8527 16.956 25.0347 2.21755 26.7296 1.48777 TIMING: 42600 CPU: 135.091, 0.00321978/step Wall: 135.091, 0.00321978/step, 4.43382 hours remaining, 219.742188 MB of memory in use. ENERGY: 42600 3950.7375 20498.6979 14413.8225 250.5404 -203717.0748 2660.7338 0.0000 0.0000 52278.1117 -109664.4311 300.4430 -161942.5428 -109290.3346 299.0902 78.1941 110.4416 761020.4245 7.1339 7.2145 PRESSURE: 42800 -25.9503 -157.033 198.502 -157.034 -6.82656 -14.0649 198.502 -14.0657 -244.84 GPRESSURE: 42800 -8.6315 -96.8836 94.8664 -73.5452 -5.73503 129.884 120.032 -126.73 -164.073 PRESSAVG: 42800 -18.6687 -62.164 16.491 -62.164 7.43608 32.8031 16.491 32.8031 -26.4961 GPRESSAVG: 42800 -18.1437 -58.2627 15.3896 -63.988 6.2217 31.9814 15.133 32.3688 -26.029 TIMING: 42800 CPU: 135.732, 0.00320528/step Wall: 135.732, 0.00320528/step, 4.41367 hours remaining, 219.750000 MB of memory in use. ENERGY: 42800 3976.4109 20495.6113 14378.8448 241.5375 -203178.8887 2251.5250 0.0000 0.0000 52012.3084 -109822.6508 298.9155 -161834.9592 -109458.1641 298.8830 -92.5388 -59.4800 763001.1491 -12.5763 -12.6503 PRESSURE: 43000 90.5846 -103.279 105.557 -103.279 28.2033 -12.0547 105.558 -12.0552 50.3277 GPRESSURE: 43000 131.681 -112.086 117.495 -111.487 69.3275 32.5932 141.16 -34.2851 82.2273 PRESSAVG: 43000 48.5798 -17.5883 -5.18266 -17.5884 -15.3831 13.0716 -5.18265 13.0717 3.41421 GPRESSAVG: 43000 48.0842 -18.1088 -3.22472 -17.882 -15.2482 13.005 -5.04468 11.7688 4.40068 TIMING: 43000 CPU: 136.373, 0.00320587/step Wall: 136.373, 0.00320587/step, 4.4143 hours remaining, 219.765625 MB of memory in use. ENERGY: 43000 3914.5622 20470.4997 14412.9657 236.4023 -203607.4363 2713.3868 0.0000 0.0000 52182.3029 -109677.3166 299.8924 -161859.6195 -109311.7160 298.3356 56.3719 94.4120 762418.9931 12.2036 12.4122 PRESSURE: 43200 1.75871 20.4205 306.754 20.4209 177.089 125.484 306.755 125.483 -178.489 GPRESSURE: 43200 91.7246 20.176 346.264 -94.8293 122.784 158.464 401.522 62.2184 -139.966 PRESSAVG: 43200 5.92301 -9.70525 -13.1047 -9.70526 10.7406 -24.5125 -13.1047 -24.5125 -2.02819 GPRESSAVG: 43200 6.80194 -12.056 -13.9826 -8.15577 11.1857 -24.4041 -13.2519 -24.3131 -3.22077 TIMING: 43200 CPU: 137.009, 0.00318138/step Wall: 137.009, 0.00318138/step, 4.38041 hours remaining, 219.765625 MB of memory in use. ENERGY: 43200 3970.6613 20323.0808 14425.1005 243.5085 -202785.6945 2074.0697 0.0000 0.0000 52237.6735 -109511.6002 300.2106 -161749.2737 -109150.9615 299.5836 0.1194 24.8475 763412.9642 4.8785 4.9223 PRESSURE: 43400 -398.313 -195.897 -172.712 -195.897 63.3631 99.4143 -172.712 99.4139 -40.8275 GPRESSURE: 43400 -277.768 -131.353 -208.457 -216.224 43.8826 123.262 -135.292 87.4996 -49.5619 PRESSAVG: 43400 -16.9915 -36.2334 -3.4478 -36.2334 17.1703 -5.58502 -3.44777 -5.58499 16.8735 GPRESSAVG: 43400 -16.0887 -36.4424 -3.48141 -37.6567 15.3851 -5.64249 -2.52949 -4.95639 17.5554 TIMING: 43400 CPU: 137.635, 0.00312968/step Wall: 137.635, 0.00312968/step, 4.30905 hours remaining, 219.765625 MB of memory in use. ENERGY: 43400 3991.0777 20474.9123 14446.3575 256.1303 -202907.8222 2404.5935 0.0000 0.0000 52118.7454 -109216.0054 299.5271 -161334.7508 -108844.0809 299.8693 -125.2590 -94.4824 762534.1869 5.6841 5.6173 PRESSURE: 43600 -159.92 -158.463 -81.1792 -158.462 -55.128 100.813 -81.1786 100.814 -544.981 GPRESSURE: 43600 -122.603 -84.4173 -39.6201 -145.077 -31.2832 61.6303 -73.402 141.061 -519.393 PRESSAVG: 43600 -16.9105 -20.0015 -9.73191 -20.0014 -7.17688 -69.7826 -9.73187 -69.7826 -7.96013 GPRESSAVG: 43600 -18.1279 -20.0794 -11.7167 -20.2753 -4.98828 -72.2556 -7.3185 -68.2473 -8.50501 TIMING: 43600 CPU: 138.265, 0.00314863/step Wall: 138.265, 0.00314863/step, 4.33496 hours remaining, 219.765625 MB of memory in use. ENERGY: 43600 4043.9311 20559.3508 14423.7902 232.0348 -203203.4752 2386.3694 0.0000 0.0000 52151.1297 -109406.8693 299.7133 -161557.9990 -109045.4301 299.6336 -253.3431 -224.4264 762377.3257 -10.6825 -10.5404 PRESSURE: 43800 -93.2492 -131.078 -81.8775 -131.078 -128.446 117.113 -81.8773 117.113 95.3865 GPRESSURE: 43800 -64.9711 -133.432 -3.14433 -65.535 -94.0787 129.978 -128.332 44.7448 113.143 PRESSAVG: 43800 -15.1943 -85.1071 -13.5012 -85.1071 39.7382 2.32418 -13.5012 2.32424 -7.94927 GPRESSAVG: 43800 -15.4676 -85.4347 -12.6388 -83.7832 38.9597 4.08159 -16.1194 1.86869 -7.02651 TIMING: 43800 CPU: 138.902, 0.00318309/step Wall: 138.902, 0.00318309/step, 4.38224 hours remaining, 219.718750 MB of memory in use. ENERGY: 43800 4010.4780 20439.4110 14380.4188 253.2675 -203361.1375 2672.3714 0.0000 0.0000 52162.4788 -109442.7122 299.7785 -161605.1909 -109070.3025 299.4165 -42.1030 -15.3023 763249.8024 5.5316 5.4885 PRESSURE: 44000 -295.42 -106.244 -208.186 -106.243 -307.561 -131.82 -208.187 -131.82 -489.633 GPRESSURE: 44000 -184.112 -52.1372 -63.2557 -58.8058 -293.879 -73.052 -143.655 -123.405 -516.901 PRESSAVG: 44000 -7.88896 -47.9545 -18.2486 -47.9545 -12.4507 13.5788 -18.2487 13.5787 0.983155 GPRESSAVG: 44000 -7.78665 -46.2485 -20.0912 -47.6544 -11.8511 13.3294 -16.6602 12.5228 0.436202 TIMING: 44000 CPU: 139.538, 0.00318098/step Wall: 139.538, 0.00318098/step, 4.37916 hours remaining, 219.765625 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: 44000 4038.7510 20543.4057 14418.0398 241.6601 -202939.8896 2231.2701 0.0000 0.0000 52048.5483 -109418.2146 299.1237 -161466.7628 -109061.5562 299.7885 -364.2044 -331.6306 763023.1834 -6.4522 -6.4005 PRESSURE: 44200 41.5604 -18.7476 75.0477 -18.7469 41.4102 -321.283 75.0484 -321.284 122.409 GPRESSURE: 44200 33.261 -25.8675 -8.64296 -94.4153 111.137 -305.721 94.4681 -336.45 147.016 PRESSAVG: 44200 5.93748 -77.154 -20.1329 -77.154 -36.1087 -14.4757 -20.1329 -14.4757 4.70361 GPRESSAVG: 44200 5.90453 -77.3256 -18.9943 -79.7061 -35.1581 -14.2417 -19.4071 -15.5783 4.6687 TIMING: 44200 CPU: 140.168, 0.00315196/step Wall: 140.168, 0.00315196/step, 4.33902 hours remaining, 219.773438 MB of memory in use. ENERGY: 44200 3894.8769 20524.7040 14496.8374 270.8170 -203155.9148 2516.0057 0.0000 0.0000 52004.1704 -109448.5033 298.8687 -161452.6737 -109085.6957 299.8869 68.4599 97.1382 761586.7393 -8.4892 -8.1950 LDB: ============= START OF LOAD BALANCING ============== 152.589 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 152.589 LDB: =============== DONE WITH MIGRATION ================ 152.591 LDB: ============= START OF LOAD BALANCING ============== 152.909 LDB: Largest compute 7069 load 0.034498 is 17.7% of average load 0.194571 LDB: Average compute 0.004403 is 2.3% of average load 0.194571 LDB: TIME 152.912 LOAD: AVG 0.194571 MAX 0.20913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.363 MB LDB: TIME 152.912 LOAD: AVG 0.194571 MAX 0.20913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.363 MB LDB: TIME 152.912 LOAD: AVG 0.194571 MAX 0.20913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.363 MB LDB: ============== END OF LOAD BALANCING =============== 152.914 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 152.919 PRESSURE: 44400 78.3919 -12.8537 -295.344 -12.8545 -18.3408 46.0317 -295.344 46.0308 166.104 GPRESSURE: 44400 171.991 -55.6963 -250.36 40.4664 -104.059 79.6584 -242.336 -92.2501 249.299 PRESSAVG: 44400 9.75487 -22.5069 -20.1079 -22.5069 3.59852 7.88313 -20.108 7.88304 -8.18124 GPRESSAVG: 44400 10.9869 -22.6496 -18.6466 -21.5736 1.59352 7.68436 -21.3421 8.68755 -7.62489 TIMING: 44400 CPU: 140.813, 0.00322333/step Wall: 140.813, 0.00322333/step, 4.43709 hours remaining, 223.035156 MB of memory in use. ENERGY: 44400 4025.4087 20432.5943 14367.3321 259.0649 -203209.6829 2646.9847 0.0000 0.0000 51946.9070 -109531.3912 298.5396 -161478.2982 -109174.8604 299.5097 75.3852 105.7438 760088.2520 1.7241 1.6518 PRESSURE: 44600 -93.6134 7.84735 -228.01 7.84797 -345.005 -50.1066 -228.009 -50.1062 -114.183 GPRESSURE: 44600 -61.5312 127.176 -287.015 -26.3547 -316.929 62.9606 -84.2085 -66.0008 -74.0181 PRESSAVG: 44600 52.7668 -19.295 -14.4668 -19.295 2.78401 -15.3938 -14.4668 -15.3937 -12.9019 GPRESSAVG: 44600 52.1773 -20.0877 -15.3276 -19.8927 3.43069 -15.3738 -12.5555 -14.8553 -13.2799 TIMING: 44600 CPU: 141.446, 0.00316556/step Wall: 141.446, 0.00316556/step, 4.3574 hours remaining, 223.042969 MB of memory in use. ENERGY: 44600 3925.9019 20505.6988 14428.5915 252.0403 -203217.1758 2357.8836 0.0000 0.0000 52125.0620 -109621.9976 299.5634 -161747.0597 -109259.7737 299.6876 -184.2672 -150.8261 759463.7404 14.2163 14.1093 PRESSURE: 44800 119.896 -155.778 -80.2731 -155.779 38.1656 88.7355 -80.2731 88.7348 87.4584 GPRESSURE: 44800 98.9205 -104.076 24.6117 -185.605 -3.27095 163.875 -185.469 -32.7303 218.722 PRESSAVG: 44800 32.2304 -37.3845 -65.8262 -37.3846 -33.5753 -35.9619 -65.8262 -35.9619 -8.93893 GPRESSAVG: 44800 31.8297 -39.0379 -66.4616 -36.1582 -32.2453 -34.7679 -66.2966 -38.0046 -9.91841 TIMING: 44800 CPU: 142.082, 0.0031819/step Wall: 142.082, 0.0031819/step, 4.37971 hours remaining, 223.503906 MB of memory in use. ENERGY: 44800 3900.5139 20601.0354 14384.6557 232.1874 -203298.2166 2476.4141 0.0000 0.0000 51991.3997 -109712.0103 298.7953 -161703.4101 -109342.1423 298.9971 81.8400 104.7904 760765.4251 -3.4280 -3.4447 PRESSURE: 45000 221.169 -42.2756 54.4666 -42.2753 199.823 45.1207 54.4662 45.12 88.2079 GPRESSURE: 45000 150.096 -46.5631 44.0097 -16.2917 287.088 53.1784 190.611 62.0547 154.925 PRESSAVG: 45000 3.86037 -87.7243 -34.1834 -87.7243 -49.5594 2.75718 -34.1834 2.75714 0.339357 GPRESSAVG: 45000 4.03006 -87.6935 -33.5513 -88.2354 -50.2949 2.42586 -34.9861 6.00066 1.385 TIMING: 45000 CPU: 142.714, 0.00315677/step Wall: 142.714, 0.00315677/step, 4.34495 hours remaining, 223.539062 MB of memory in use. ENERGY: 45000 3949.9300 20497.2035 14489.2490 272.0717 -202952.1820 2330.0322 0.0000 0.0000 51885.1334 -109528.5623 298.1846 -161413.6957 -109175.2476 299.0442 169.7333 197.3695 760152.0033 -15.1199 -14.9600 PRESSURE: 45200 -52.3603 -18.174 -72.0878 -18.1755 107.271 -119.146 -72.0872 -119.147 434.29 GPRESSURE: 45200 72.2506 49.7101 -19.5447 -1.57274 180.304 -154.053 -81.1899 -172.177 308.601 PRESSAVG: 45200 -37.9515 -17.5341 -3.68037 -17.5341 19.126 -42.712 -3.68034 -42.7119 -12.3806 GPRESSAVG: 45200 -36.4736 -16.1783 -5.09575 -17.0138 18.4279 -41.6783 -4.88859 -43.6534 -13.661 TIMING: 45200 CPU: 143.345, 0.00315557/step Wall: 143.345, 0.00315557/step, 4.34311 hours remaining, 223.539062 MB of memory in use. ENERGY: 45200 3914.7050 20546.0825 14497.3502 259.9501 -203104.7585 2382.7954 0.0000 0.0000 52077.3076 -109426.5677 299.2890 -161503.8753 -109066.6866 298.9981 163.0670 187.0516 759786.3828 -10.4020 -10.5689 PRESSURE: 45400 154.789 48.2826 -63.1629 48.283 4.74128 -12.6149 -63.1623 -12.6137 40.1629 GPRESSURE: 45400 240.24 84.2519 -24.2879 -37.0146 23.3041 -12.3312 45.2025 5.89509 23.9261 PRESSAVG: 45400 0.947759 -50.761 -20.6832 -50.7609 49.8236 -4.614 -20.6831 -4.61396 5.88879 GPRESSAVG: 45400 0.294037 -51.9839 -18.1915 -50.618 49.5264 -5.20955 -18.4936 -4.80331 6.4578 TIMING: 45400 CPU: 143.975, 0.00314895/step Wall: 143.975, 0.00314895/step, 4.33383 hours remaining, 223.539062 MB of memory in use. ENERGY: 45400 3960.1226 20527.3647 14506.7678 269.1245 -203125.5960 2570.7634 0.0000 0.0000 51883.8370 -109407.6159 298.1771 -161291.4529 -109037.1517 299.0438 66.5645 95.8235 761824.0978 18.8867 18.7594 PRESSURE: 45600 160.321 -114.855 34.0419 -114.855 89.5652 -118.302 34.0416 -118.303 20.1451 GPRESSURE: 45600 205.426 -187.976 -4.89633 -120.385 95.3866 -63.4154 -39.4762 5.71014 55.7847 PRESSAVG: 45600 5.58604 -22.6962 -33.393 -22.6963 35.2932 43.1918 -33.393 43.1918 32.3731 GPRESSAVG: 45600 5.02853 -21.763 -33.855 -24.9102 34.817 41.5757 -35.2032 45.2888 33.4131 TIMING: 45600 CPU: 144.603, 0.00314344/step Wall: 144.603, 0.00314344/step, 4.32607 hours remaining, 223.539062 MB of memory in use. ENERGY: 45600 3929.0612 20595.7066 14492.2000 247.0809 -203068.0698 2337.0149 0.0000 0.0000 52049.6409 -109417.3652 299.1300 -161467.0061 -109056.2548 299.3095 90.0105 118.8656 761496.8389 24.4174 24.4195 PRESSURE: 45800 118.181 -18.8564 270.036 -18.8562 -37.549 111.086 270.036 111.086 183.193 GPRESSURE: 45800 150.624 -126.874 225.222 -120.746 54.7857 48.9797 259.629 101.297 140.518 PRESSAVG: 45800 23.7927 0.364269 36.441 0.364239 21.8472 -3.47367 36.441 -3.47368 -3.67892 GPRESSAVG: 45800 22.9363 -0.278152 37.1691 0.885158 22.4957 -2.82906 36.4873 -4.84622 -3.75707 TIMING: 45800 CPU: 145.233, 0.00315029/step Wall: 145.233, 0.00315029/step, 4.33533 hours remaining, 223.539062 MB of memory in use. ENERGY: 45800 3930.1783 20532.2817 14504.7914 248.0832 -203297.8464 2546.7749 0.0000 0.0000 52010.7746 -109524.9624 298.9066 -161535.7369 -109169.0124 299.1561 87.9419 115.3093 760016.4575 13.9870 13.8917 PRESSURE: 46000 -141.948 -81.7235 -173.025 -81.724 109.742 -124.534 -173.025 -124.532 -321.673 GPRESSURE: 46000 -121.082 13.7269 -275.951 -64.5149 129.007 -71.8779 -188.396 -34.5852 -271.602 PRESSAVG: 46000 18.5579 -62.1975 18.5736 -62.1975 -55.242 18.4147 18.5736 18.4147 -6.91546 GPRESSAVG: 46000 18.115 -60.4686 18.3797 -61.8395 -54.3218 17.4111 17.8069 18.6349 -7.60495 TIMING: 46000 CPU: 145.875, 0.00321011/step Wall: 145.875, 0.00321011/step, 4.41746 hours remaining, 223.539062 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: 46000 3965.6383 20578.3286 14401.8419 257.9285 -203264.5593 2403.5969 0.0000 0.0000 51987.9867 -109669.2384 298.7757 -161657.2251 -109294.1226 298.9195 -117.9598 -87.8926 761884.7355 -14.5332 -14.6039 PRESSURE: 46200 -60.1565 -79.8156 110.199 -79.8156 -209.777 -112.959 110.199 -112.96 -267.003 GPRESSURE: 46200 55.0881 -114.199 131.81 -68.7863 -274.588 15.8365 24.4314 -1.08392 -217.958 PRESSAVG: 46200 32.1568 -30.6433 -12.184 -30.6432 -54.3344 -26.5307 -12.184 -26.5307 23.8803 GPRESSAVG: 46200 33.5074 -31.8838 -10.6364 -29.7673 -55.7343 -26.5072 -12.0371 -26.6117 24.0903 TIMING: 46200 CPU: 146.505, 0.00314789/step Wall: 146.505, 0.00314789/step, 4.33168 hours remaining, 223.539062 MB of memory in use. ENERGY: 46200 4030.3947 20705.4510 14433.9015 233.6928 -203390.2500 2510.1224 0.0000 0.0000 51999.4266 -109477.2610 298.8414 -161476.6875 -109120.2378 299.1841 -178.9789 -145.8194 760173.4221 0.5676 0.6211 PRESSURE: 46400 262.263 -88.2104 106.073 -88.2114 -57.0483 -69.3443 106.074 -69.3439 375.1 GPRESSURE: 46400 168.22 -5.39864 85.3133 -40.6425 120.499 -99.1133 66.9367 5.07639 367.86 PRESSAVG: 46400 23.5765 -88.5916 28.6607 -88.5916 -27.3836 -16.1557 28.6608 -16.1557 6.99402 GPRESSAVG: 46400 23.7559 -87.4055 28.1301 -90.0978 -27.7651 -16.8045 28.7592 -17.071 7.92414 TIMING: 46400 CPU: 147.134, 0.00314543/step Wall: 147.134, 0.00314543/step, 4.32811 hours remaining, 223.539062 MB of memory in use. ENERGY: 46400 4013.9703 20572.0995 14394.4823 258.2703 -203337.7476 2447.8849 0.0000 0.0000 52124.5500 -109526.4903 299.5605 -161651.0402 -109152.7338 299.6314 193.4383 218.8597 760424.0669 1.0623 1.3050 PRESSURE: 46600 15.5303 47.0008 -148.251 47.0001 -22.7656 37.8605 -148.251 37.8599 -572.207 GPRESSURE: 46600 119.239 -21.3051 -157.049 81.6183 -21.7641 -11.075 -90.6189 21.9948 -588.683 PRESSAVG: 46600 45.5424 -70.2657 14.1053 -70.2656 -16.7954 -6.66988 14.1053 -6.66987 21.4974 GPRESSAVG: 46600 44.6729 -69.7723 13.299 -68.3936 -15.2152 -6.07646 14.7101 -7.15408 21.3908 TIMING: 46600 CPU: 147.765, 0.00315232/step Wall: 147.765, 0.00315232/step, 4.33741 hours remaining, 223.542969 MB of memory in use. ENERGY: 46600 4021.8466 20353.8548 14351.6930 256.0832 -203478.0639 2615.1134 0.0000 0.0000 52339.5265 -109539.9463 300.7960 -161879.4728 -109163.8677 299.7673 -193.1475 -163.7362 759910.1703 16.7481 16.9495 PRESSURE: 46800 -81.6977 -124.656 226.113 -124.656 -37.6826 62.5275 226.113 62.5276 160.385 GPRESSURE: 46800 -37.7229 -148.715 146.082 -190.011 -59.0224 -2.64039 148.998 -59.664 213.688 PRESSAVG: 46800 3.60059 -38.6899 15.0089 -38.69 -27.5162 30.1772 15.0089 30.1772 -13.4491 GPRESSAVG: 46800 4.21232 -40.2819 13.3609 -39.7413 -28.4567 32.4341 17.5132 30.1085 -13.6958 TIMING: 46800 CPU: 148.392, 0.00313926/step Wall: 148.392, 0.00313926/step, 4.31928 hours remaining, 223.542969 MB of memory in use. ENERGY: 46800 3930.7441 20587.8285 14448.0398 238.1506 -203131.5133 2483.7709 0.0000 0.0000 52187.1230 -109255.8565 299.9201 -161442.9794 -108899.6794 300.0234 13.6681 38.9811 760927.7899 -12.4549 -12.6467 PRESSURE: 47000 63.0937 1.99914 -107.328 2.00038 -19.8626 56.3288 -107.328 56.3283 -77.0557 GPRESSURE: 47000 109.956 23.0969 -96.1005 110.294 -41.4588 84.2583 51.6401 -1.98437 -10.7555 PRESSAVG: 47000 6.19191 -74.3434 -37.6528 -74.3434 -21.8463 -10.9144 -37.6528 -10.9144 -20.3217 GPRESSAVG: 47000 6.73519 -72.8422 -38.0729 -75.0776 -22.2704 -13.4963 -36.7737 -10.7526 -20.1314 TIMING: 47000 CPU: 149.018, 0.0031271/step Wall: 149.018, 0.0031271/step, 4.30236 hours remaining, 223.542969 MB of memory in use. ENERGY: 47000 4095.6302 20560.3662 14453.2007 234.7236 -202622.4081 2156.1974 0.0000 0.0000 51969.8391 -109152.4509 298.6714 -161122.2900 -108790.0530 299.7761 -11.2748 19.2471 762077.4355 -11.9920 -11.8889 PRESSURE: 47200 227.217 -122.335 -39.5717 -122.334 -7.49921 32.3174 -39.5716 32.3172 302.483 GPRESSURE: 47200 256.648 -223.271 -40.3201 -51.8436 30.6362 47.0688 70.1877 67.8377 320.366 PRESSAVG: 47200 34.0191 -31.9001 7.53383 -31.9 -34.5318 21.5691 7.53386 21.5691 -26.6681 GPRESSAVG: 47200 33.8708 -32.3437 8.09551 -30.1323 -33.5649 22.0422 6.71072 20.5916 -27.6712 TIMING: 47200 CPU: 149.65, 0.0031622/step Wall: 149.65, 0.0031622/step, 4.35048 hours remaining, 223.542969 MB of memory in use. ENERGY: 47200 3971.7641 20580.2911 14473.8349 255.1697 -203225.1152 2500.8636 0.0000 0.0000 52501.7537 -108941.4381 301.7283 -161443.1918 -108581.8748 300.5145 174.0670 202.5498 760912.7403 -9.0603 -9.1218 PRESSURE: 47400 210.897 -6.32133 105.259 -6.32114 247.508 -42.5732 105.258 -42.5743 -98.2562 GPRESSURE: 47400 250.261 1.74928 14.4822 -75.7125 244.771 -98.4822 74.2045 -128.65 -61.4413 PRESSAVG: 47400 -4.51042 -26.3518 -15.8371 -26.3518 35.1581 -1.32438 -15.8371 -1.32442 -20.7093 GPRESSAVG: 47400 -4.06854 -29.8266 -15.6293 -26.6859 36.1957 -3.06785 -17.6176 -0.831201 -21.6972 TIMING: 47400 CPU: 150.283, 0.0031632/step Wall: 150.283, 0.0031632/step, 4.35169 hours remaining, 223.542969 MB of memory in use. ENERGY: 47400 3985.9922 20650.1295 14466.4241 245.0085 -203252.1248 2697.8056 0.0000 0.0000 52079.2537 -109127.5113 299.3002 -161206.7650 -108762.2685 301.1478 120.0495 144.5302 759078.9062 3.3128 3.4767 PRESSURE: 47600 -151.816 -183.247 -98.2287 -183.247 -219.203 -278.973 -98.2284 -278.973 333.177 GPRESSURE: 47600 -78.5888 -169.866 -45.2671 -28.8709 -226.363 -221.728 -252.506 -341.972 342.29 PRESSAVG: 47600 -18.3639 -52.6909 36.4708 -52.6908 30.0288 8.90501 36.4708 8.90497 -1.98423 GPRESSAVG: 47600 -18.618 -51.6888 37.6609 -53.3266 29.1765 10.5903 34.7437 8.46256 -1.12765 TIMING: 47600 CPU: 150.916, 0.00316585/step Wall: 150.916, 0.00316585/step, 4.35515 hours remaining, 223.542969 MB of memory in use. ENERGY: 47600 4043.8986 20572.1623 14419.0352 247.1036 -203261.8946 2550.7903 0.0000 0.0000 52113.9080 -109314.9966 299.4993 -161428.9047 -108949.6388 300.2250 -12.6140 12.4458 760220.7190 3.2269 3.1436 PRESSURE: 47800 -64.5228 3.0926 -40.1545 3.09093 -122.874 -2.52702 -40.1545 -2.52679 -230.876 GPRESSURE: 47800 -58.9812 105.326 66.576 -12.8063 -73.7721 19.3081 40.7328 70.0616 -190.377 PRESSAVG: 47800 35.8495 -14.1629 -16.9678 -14.163 -34.1405 -43.7905 -16.9677 -43.7905 12.0673 GPRESSAVG: 47800 34.3691 -13.0488 -17.7076 -14.9689 -33.5261 -43.7844 -15.1504 -44.044 12.9314 TIMING: 47800 CPU: 151.55, 0.00316691/step Wall: 151.55, 0.00316691/step, 4.35644 hours remaining, 223.542969 MB of memory in use. ENERGY: 47800 4086.6572 20696.6969 14367.3121 245.9282 -203482.7547 2549.3169 0.0000 0.0000 52112.0408 -109424.8025 299.4886 -161536.8433 -109052.9642 299.8158 -139.4242 -107.7102 760299.3655 4.5921 4.5914 PRESSURE: 48000 49.0904 -147.13 139.393 -147.13 -226.404 -94.5387 139.393 -94.539 -205.061 GPRESSURE: 48000 34.4207 -262.8 112.415 -120.147 -173.971 -95.4026 33.36 -69.2363 -145.733 PRESSAVG: 48000 43.3648 -46.0959 -22.7081 -46.0959 -34.9915 8.69092 -22.708 8.6909 15.1214 GPRESSAVG: 48000 43.5114 -45.5886 -22.2122 -46.7409 -35.5674 9.46467 -23.469 9.89295 14.7075 TIMING: 48000 CPU: 152.178, 0.00314483/step Wall: 152.178, 0.00314483/step, 4.3259 hours remaining, 223.542969 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: 48000 4052.5943 20561.8024 14446.4018 241.2891 -203159.0919 2302.3761 0.0000 0.0000 52040.5865 -109514.0416 299.0780 -161554.6281 -109156.8325 299.5326 -127.4583 -95.0944 760584.7250 7.8316 7.5505 PRESSURE: 48200 387.498 -55.7776 65.4663 -55.7782 -264.183 -93.3361 65.4664 -93.3365 -96.6283 GPRESSURE: 48200 385.398 20.6232 20.013 -51.5607 -149.669 -64.4076 2.17548 -78.7102 -112.195 PRESSAVG: 48200 12.8806 -5.91572 -52.8299 -5.91575 -16.7458 -30.122 -52.8299 -30.122 -7.5476 GPRESSAVG: 48200 13.2688 -5.73412 -53.6602 -6.51314 -17.0549 -29.7484 -51.3662 -29.8876 -7.5938 TIMING: 48200 CPU: 152.807, 0.00314411/step Wall: 152.807, 0.00314411/step, 4.32473 hours remaining, 223.542969 MB of memory in use. ENERGY: 48200 3986.5827 20533.6068 14524.9677 241.0787 -203431.0378 2477.9340 0.0000 0.0000 52122.9806 -109543.8873 299.5515 -161666.8679 -109176.9611 299.7785 8.8957 41.1776 760636.5027 -3.8043 -3.7933 LDB: ============= START OF LOAD BALANCING ============== 165.232 LDB: ============== END OF LOAD BALANCING =============== 165.232 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 165.234 LDB: ============= START OF LOAD BALANCING ============== 165.55 LDB: Largest compute 7072 load 0.034891 is 17.9% of average load 0.194582 LDB: Average compute 0.004409 is 2.3% of average load 0.194582 LDB: TIME 165.553 LOAD: AVG 0.194582 MAX 0.209562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.199 MB LDB: TIME 165.554 LOAD: AVG 0.194582 MAX 0.209562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.402 MB LDB: TIME 165.554 LOAD: AVG 0.194582 MAX 0.209562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.402 MB LDB: ============== END OF LOAD BALANCING =============== 165.556 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 165.56 PRESSURE: 48400 -289.588 -294.466 -149.219 -294.466 -130.327 76.2475 -149.219 76.2474 -247.34 GPRESSURE: 48400 -273.351 -245.642 -177.673 -132.456 -24.0249 32.4417 -147.666 83.4943 -279.404 PRESSAVG: 48400 21.0071 -42.8684 5.37981 -42.8685 -6.26696 -8.13651 5.37972 -8.13646 32.824 GPRESSAVG: 48400 20.5028 -42.7931 4.93835 -42.7045 -5.24228 -8.84384 3.41898 -8.39221 31.5684 TIMING: 48400 CPU: 153.454, 0.00323422/step Wall: 153.454, 0.00323422/step, 4.44849 hours remaining, 220.367188 MB of memory in use. ENERGY: 48400 3982.1777 20704.1408 14448.2027 241.1926 -203319.0783 2308.3305 0.0000 0.0000 51988.4725 -109646.5614 298.7785 -161635.0339 -109291.8746 299.5491 -222.4180 -192.2597 761110.1238 15.8547 15.6096 PRESSURE: 48600 54.7123 -16.8468 -64.5742 -16.8471 354.53 -63.4649 -64.574 -63.4652 92.5939 GPRESSURE: 48600 156.301 14.3907 -141.095 -83.9708 346.308 -63.1672 138.76 -111.499 86.2528 PRESSAVG: 48600 -14.7438 -47.8829 -38.8499 -47.8829 -16.0245 -52.0062 -38.8499 -52.0062 16.4793 GPRESSAVG: 48600 -13.9253 -48.3983 -38.8762 -48.2089 -18.3095 -52.5502 -36.3161 -53.7774 17.3591 TIMING: 48600 CPU: 154.09, 0.00317832/step Wall: 154.09, 0.00317832/step, 4.37143 hours remaining, 220.570312 MB of memory in use. ENERGY: 48600 3993.8074 20664.5369 14468.8593 245.0244 -203296.5909 2725.9556 0.0000 0.0000 51829.9810 -109368.4262 297.8676 -161198.4072 -109014.8034 299.3874 167.2788 196.2873 763122.6280 -4.7630 -4.9586 PRESSURE: 48800 91.2074 -79.0327 54.3826 -79.0316 53.3558 26.0931 54.3836 26.0929 -154.98 GPRESSURE: 48800 91.1319 -95.203 68.5366 -113.821 149.991 70.9073 186.405 -131.886 -154.7 PRESSAVG: 48800 19.0828 -40.2078 17.5533 -40.2078 -1.98732 20.5202 17.5533 20.5202 10.2032 GPRESSAVG: 48800 19.3318 -39.3494 17.8805 -38.5293 -0.93366 20.117 17.4381 20.7187 9.26802 TIMING: 48800 CPU: 154.72, 0.00315055/step Wall: 154.72, 0.00315055/step, 4.33306 hours remaining, 220.773438 MB of memory in use. ENERGY: 48800 4032.5530 20576.3818 14420.1381 234.9659 -203213.3127 2534.4662 0.0000 0.0000 52143.1031 -109271.7046 299.6671 -161414.8077 -108905.7109 299.4727 -3.4724 28.8079 761410.1819 9.0996 9.2221 PRESSURE: 49000 252.016 -113.017 57.9607 -113.017 -71.4086 -164.292 57.9607 -164.293 -144.765 GPRESSURE: 49000 291.66 -67.8405 38.6042 -163.095 29.2097 -188.178 -76.114 -78.0931 -195.8 PRESSAVG: 49000 -1.8755 -37.394 -5.93379 -37.394 -24.5038 27.191 -5.93378 27.1911 6.98736 GPRESSAVG: 49000 -1.63384 -37.2591 -5.88321 -39.9273 -24.7136 26.359 -6.69115 28.2719 7.46754 TIMING: 49000 CPU: 155.346, 0.00312805/step Wall: 155.346, 0.00312805/step, 4.30194 hours remaining, 220.773438 MB of memory in use. ENERGY: 49000 4008.2130 20630.0224 14388.1058 272.8936 -203370.9900 2541.0316 0.0000 0.0000 51988.7522 -109541.9715 298.7801 -161530.7237 -109184.7319 299.2542 11.9474 41.6898 761691.2880 -6.4640 -6.2933 PRESSURE: 49200 -88.9746 -4.19007 31.6754 -4.19088 -168.849 -40.2399 31.6753 -40.2393 86.5385 GPRESSURE: 49200 5.5705 -9.42043 24.6 15.8077 -153.769 -104.523 109.975 -21.9022 64.9246 PRESSAVG: 49200 50.2114 -29.5998 10.1522 -29.5998 -1.65952 21.9859 10.1522 21.986 6.87954 GPRESSAVG: 49200 50.1603 -29.2578 10.1971 -28.8241 -1.25784 25.306 9.9482 21.1603 5.90295 TIMING: 49200 CPU: 155.969, 0.00311825/step Wall: 155.969, 0.00311825/step, 4.28829 hours remaining, 220.773438 MB of memory in use. ENERGY: 49200 3966.8733 20610.2077 14373.8642 264.7748 -203361.9658 2520.3373 0.0000 0.0000 52187.8293 -109438.0792 299.9242 -161625.9085 -109079.0066 299.6910 -57.0952 -27.7580 761911.5444 18.4771 18.2685 PRESSURE: 49400 -262.404 -65.7228 -78.2589 -65.7221 -214.333 -24.0252 -78.2593 -24.0258 -816.67 GPRESSURE: 49400 -116.742 10.6116 -110.279 13.1938 -316.565 -43.9504 64.5498 46.8046 -769.135 PRESSAVG: 49400 38.4979 -26.1709 0.270025 -26.1709 -34.0546 41.849 0.270002 41.849 2.81868 GPRESSAVG: 49400 38.0571 -27.0697 1.99996 -26.5809 -34.4135 40.4698 0.713456 40.6719 3.53568 TIMING: 49400 CPU: 156.596, 0.00313626/step Wall: 156.596, 0.00313626/step, 4.31288 hours remaining, 220.773438 MB of memory in use. ENERGY: 49400 4052.4504 20496.6199 14474.0046 254.2056 -203749.1931 2695.5429 0.0000 0.0000 52336.8405 -109439.5292 300.7805 -161776.3697 -109073.0652 299.8041 -431.1357 -400.8140 762223.5141 2.4207 2.3931 PRESSURE: 49600 -223.485 -27.1116 -161.71 -27.1119 -252.265 -183.145 -161.71 -183.145 -53.8566 GPRESSURE: 49600 -152.461 -79.8533 -147.756 46.7875 -192.593 -160.886 -161.609 -157.28 -79.4095 PRESSAVG: 49600 64.6477 -13.7898 10.0314 -13.7899 -43.4742 37.9474 10.0314 37.9475 20.594 GPRESSAVG: 49600 64.5807 -14.1504 8.15117 -13.2428 -42.4856 38.6077 10.4467 39.6583 19.4596 TIMING: 49600 CPU: 157.219, 0.00311338/step Wall: 157.219, 0.00311338/step, 4.28124 hours remaining, 220.773438 MB of memory in use. ENERGY: 49600 3996.3765 20674.0128 14443.1466 224.3281 -203407.3653 2366.7899 0.0000 0.0000 52170.5524 -109532.1590 299.8249 -161702.7114 -109173.7402 299.6281 -176.5356 -141.4878 759687.0532 13.9225 13.8516 PRESSURE: 49800 149.251 -321.247 107.712 -321.247 -122.329 -152.937 107.712 -152.938 -192.622 GPRESSURE: 49800 134.598 -283.301 64.0068 -277.963 -12.9069 -165.429 53.2492 -106.696 -207.958 PRESSAVG: 49800 49.475 -61.8174 32.7588 -61.8174 -42.0106 -26.5539 32.7588 -26.554 7.88542 GPRESSAVG: 49800 48.8815 -59.8724 32.7009 -62.3171 -43.5692 -25.5463 34.465 -28.1019 9.67937 TIMING: 49800 CPU: 157.84, 0.00310264/step Wall: 157.84, 0.00310264/step, 4.2663 hours remaining, 220.773438 MB of memory in use. ENERGY: 49800 3982.3953 20742.6587 14465.9674 250.8330 -203541.6509 2589.3503 0.0000 0.0000 52052.7060 -109457.7402 299.1476 -161510.4462 -109098.2994 299.4160 -55.2334 -28.7557 760318.9799 5.1166 4.9972 PRESSURE: 50000 -66.4218 88.5868 120.387 88.587 -236.887 -96.079 120.388 -96.0785 -337.45 GPRESSURE: 50000 -30.1248 -14.3045 75.937 78.6985 -308.9 -96.6974 221.473 -251.125 -228.957 PRESSAVG: 50000 25.6903 -67.0008 70.6442 -67.0008 -64.738 1.79965 70.6441 1.79978 5.87346 GPRESSAVG: 50000 25.7942 -70.3645 69.9755 -66.8046 -64.3084 1.0817 70.0534 2.44158 5.14028 TIMING: 50000 CPU: 158.465, 0.00312577/step Wall: 158.465, 0.00312577/step, 4.29793 hours remaining, 220.773438 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: 50000 4008.5437 20805.7269 14416.7140 245.9572 -202962.6258 2039.6167 0.0000 0.0000 51946.5800 -109499.4872 298.5377 -161446.0673 -109132.8008 299.8852 -213.5862 -189.3273 760946.2993 -11.0581 -11.1246 PRESSURE: 50200 284.647 113.526 65.9297 113.526 180.827 57.9416 65.9294 57.9416 -87.1202 GPRESSURE: 50200 289.696 -23.5584 111.31 134.703 229.144 71.2392 51.5825 166.679 -65.8928 PRESSAVG: 50200 -26.6217 -36.3259 20.5291 -36.3259 45.0389 11.0833 20.5291 11.0833 1.06144 GPRESSAVG: 50200 -26.3759 -34.8773 20.3939 -36.9236 45.447 9.58493 19.6042 9.63979 0.571992 TIMING: 50200 CPU: 159.091, 0.0031299/step Wall: 159.091, 0.0031299/step, 4.30344 hours remaining, 220.773438 MB of memory in use. ENERGY: 50200 4073.7822 20531.3235 14450.2397 254.2272 -203592.2362 2475.2832 0.0000 0.0000 52277.1617 -109530.2187 300.4376 -161807.3804 -109176.8545 299.1790 126.1177 150.9824 760176.2041 6.4929 6.5477 PRESSURE: 50400 -296.831 -21.7376 172.337 -21.738 -175.613 0.209479 172.338 0.209748 469.185 GPRESSURE: 50400 -313.887 -83.8389 183.806 -7.61781 -49.3339 -11.7678 90.2776 -93.2857 460.209 PRESSAVG: 50400 -47.2786 -66.2376 -34.2686 -66.2375 19.6756 36.0942 -34.2686 36.0943 4.56498 GPRESSAVG: 50400 -46.9192 -66.8947 -33.3332 -66.8607 20.3809 37.0256 -33.6523 39.5344 3.76176 TIMING: 50400 CPU: 159.719, 0.00314322/step Wall: 159.719, 0.00314322/step, 4.32158 hours remaining, 220.773438 MB of memory in use. ENERGY: 50400 3908.0176 20473.9115 14397.0841 260.5867 -203491.8978 2741.5886 0.0000 0.0000 52035.3242 -109675.3851 299.0477 -161710.7093 -109307.8579 299.4883 -1.0864 32.3294 762292.0195 -7.6793 -7.5922 PRESSURE: 50600 -384.339 -238.842 179.862 -238.842 25.7557 -166.638 179.861 -166.639 -83.8115 GPRESSURE: 50600 -277.986 -222.21 118.464 -66.2777 51.3925 -109.354 13.1329 -110.537 -128.436 PRESSAVG: 50600 -2.37836 -81.1192 50.5749 -81.1192 63.3046 39.9351 50.5749 39.9351 0.905586 GPRESSAVG: 50600 -3.50113 -79.4435 50.4987 -80.785 63.3567 40.3174 49.1099 39.9808 2.23529 TIMING: 50600 CPU: 160.348, 0.00314362/step Wall: 160.348, 0.00314362/step, 4.32195 hours remaining, 220.773438 MB of memory in use. ENERGY: 50600 3933.1149 20440.7884 14451.4056 243.1786 -203663.0936 2760.1545 0.0000 0.0000 51883.7879 -109950.6636 298.1768 -161834.4515 -109588.1977 298.8672 -147.4650 -118.3432 761533.7019 20.6106 20.6970 PRESSURE: 50800 -76.006 -24.371 -92.0827 -24.3714 -121.553 -181.653 -92.0828 -181.653 -226.875 GPRESSURE: 50800 -19.3115 30.0319 -102.86 -24.1878 -168.545 -91.9082 -28.0151 -260.482 -169.729 PRESSAVG: 50800 -38.8534 -44.2889 55.2143 -44.289 6.78916 -5.71583 55.2142 -5.7158 20.5114 GPRESSAVG: 50800 -37.0077 -45.5333 54.8025 -44.6633 5.83195 -5.97686 56.6969 -6.98467 20.5712 TIMING: 50800 CPU: 160.976, 0.0031381/step Wall: 160.976, 0.0031381/step, 4.31419 hours remaining, 220.773438 MB of memory in use. ENERGY: 50800 3976.2916 20598.1450 14401.9568 238.6532 -203343.2270 2648.2506 0.0000 0.0000 51845.3685 -109634.5613 297.9560 -161479.9298 -109278.0619 298.3697 -141.4780 -119.1952 762281.3771 -3.8510 -3.5348 PRESSURE: 51000 -181.451 125.723 126.415 125.723 -193.782 102.567 126.416 102.568 324.535 GPRESSURE: 51000 -194.331 10.1203 105.706 122.931 -108.654 113.863 88.5894 266.451 315.042 PRESSAVG: 51000 -42.8393 -29.9427 31.8067 -29.9427 17.4371 26.2902 31.8067 26.2902 -8.6866 GPRESSAVG: 51000 -43.184 -28.9003 33.5106 -28.3698 17.1611 24.6921 31.0832 26.7254 -8.74085 TIMING: 51000 CPU: 161.599, 0.00311564/step Wall: 161.599, 0.00311564/step, 4.28314 hours remaining, 220.773438 MB of memory in use. ENERGY: 51000 3948.9575 20617.0295 14414.6923 228.6951 -203181.6085 2276.4836 0.0000 0.0000 52189.4449 -109506.3056 299.9335 -161695.7505 -109136.9415 298.9817 -16.8996 4.0193 761209.9335 -11.3629 -11.5879 PRESSURE: 51200 349.236 -40.3015 53.7413 -40.3019 432.481 120.917 53.7423 120.917 256.343 GPRESSURE: 51200 510.082 -18.2979 24.3315 -69.1579 426.889 73.852 39.3957 79.6552 195.401 PRESSAVG: 51200 -17.1398 -36.5906 33.3443 -36.5907 9.57789 12.1582 33.3443 12.1581 1.73136 GPRESSAVG: 51200 -17.8864 -38.2612 30.5809 -37.707 10.0241 12.9718 34.7717 12.3341 1.72372 TIMING: 51200 CPU: 162.226, 0.00313399/step Wall: 162.226, 0.00313399/step, 4.30819 hours remaining, 220.785156 MB of memory in use. ENERGY: 51200 3863.0300 20445.9835 14437.1375 242.4696 -203907.8304 2791.1247 0.0000 0.0000 52343.1344 -109784.9506 300.8167 -162128.0851 -109408.6668 299.0826 346.0202 377.4573 760827.4005 -1.9435 -2.0462 PRESSURE: 51400 -16.2884 97.0817 -63.6319 97.0817 -25.5684 197.348 -63.6317 197.349 -391.201 GPRESSURE: 51400 119.276 37.2408 -45.3176 73.168 -100.451 126.823 156.53 132.574 -338.155 PRESSAVG: 51400 5.81576 -82.3359 4.24266 -82.336 -14.0315 27.4213 4.24268 27.4212 -11.6252 GPRESSAVG: 51400 7.2547 -81.0443 5.97177 -80.9472 -14.0311 26.9467 2.2988 24.5221 -12.7963 TIMING: 51400 CPU: 162.859, 0.00316871/step Wall: 162.859, 0.00316872/step, 4.35575 hours remaining, 220.777344 MB of memory in use. ENERGY: 51400 3980.5893 20438.6576 14423.2625 267.3240 -203657.2312 2792.8600 0.0000 0.0000 52050.5055 -109704.0325 299.1350 -161754.5380 -109348.8522 299.1306 -144.3527 -106.4435 761050.5234 -6.6136 -6.5242 PRESSURE: 51600 -477.472 -123.897 -142.436 -123.899 25.5029 -150.312 -142.436 -150.312 -285.273 GPRESSURE: 51600 -397.889 -206.149 -217.38 -186.781 -11.3171 -82.1147 -116.34 -25.5215 -255.46 PRESSAVG: 51600 -2.35689 -58.5486 -20.5158 -58.5486 -2.03553 48.2202 -20.5158 48.2201 -25.151 GPRESSAVG: 51600 -3.39611 -58.8949 -20.278 -60.4682 -2.69416 47.615 -20.414 51.4217 -23.7924 TIMING: 51600 CPU: 163.493, 0.00316812/step Wall: 163.493, 0.00316812/step, 4.35475 hours remaining, 220.773438 MB of memory in use. ENERGY: 51600 4049.1763 20472.4484 14419.9141 259.3936 -202699.5884 2126.5613 0.0000 0.0000 51872.9117 -109499.1831 298.1143 -161372.0948 -109137.9461 298.7444 -245.7474 -221.5555 762556.2542 -9.8478 -9.9609 PRESSURE: 51800 -215.31 -27.5825 46.5219 -27.5811 -411.861 -127.286 46.5215 -127.286 -303.045 GPRESSURE: 51800 -93.9117 55.5571 14.7379 -146.152 -406.305 -163.853 217.965 -124.465 -343.025 PRESSAVG: 51800 -37.4359 -49.1708 1.30897 -49.1707 46.5541 32.0948 1.309 32.0948 15.1531 GPRESSAVG: 51800 -37.8058 -48.0271 0.999668 -48.7518 47.2118 31.7887 1.75464 31.6119 14.7542 TIMING: 51800 CPU: 164.126, 0.00316539/step Wall: 164.126, 0.00316539/step, 4.35083 hours remaining, 220.753906 MB of memory in use. ENERGY: 51800 4012.0639 20490.0653 14419.5177 239.5103 -203164.0873 2251.1816 0.0000 0.0000 52281.2700 -109470.4785 300.4612 -161751.7485 -109111.9399 299.3850 -310.0720 -281.0804 760465.9813 8.0904 8.0534 PRESSURE: 52000 -400.204 -89.8057 30.2633 -89.8046 -88.4027 158.99 30.2629 158.99 -179.797 GPRESSURE: 52000 -363.366 -81.3702 -63.8554 -95.644 -50.5136 124.952 58.0288 113.144 -156.192 PRESSAVG: 52000 55.8905 -60.1643 47.7037 -60.1643 -24.5836 54.496 47.7037 54.4962 7.95718 GPRESSAVG: 52000 56.6469 -59.2838 48.7901 -58.7939 -25.4276 56.3542 46.4088 51.6205 7.97357 TIMING: 52000 CPU: 164.753, 0.00313536/step Wall: 164.753, 0.00313536/step, 4.30938 hours remaining, 220.781250 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: 52000 3939.9306 20483.8168 14422.1347 225.8978 -203323.9505 2444.6939 0.0000 0.0000 52287.1248 -109520.3520 300.4948 -161807.4768 -109150.4431 300.3037 -222.8013 -190.0238 762038.0796 13.0880 13.0643 PRESSURE: 52200 45.8272 -38.8809 -80.8961 -38.8811 -20.4873 -71.5477 -80.8946 -71.5486 457.238 GPRESSURE: 52200 83.7157 -198.269 -126.848 -35.2937 10.8776 -107.416 -29.2293 -95.0746 459.851 PRESSAVG: 52200 43.7974 -4.24697 52.2221 -4.24694 -59.6909 68.3999 52.2221 68.3999 11.615 GPRESSAVG: 52200 42.0977 -6.18893 53.6218 -4.2672 -58.9919 67.1362 52.2598 70.9037 11.9718 TIMING: 52200 CPU: 165.381, 0.00313887/step Wall: 165.381, 0.00313887/step, 4.31402 hours remaining, 220.781250 MB of memory in use. ENERGY: 52200 3969.9044 20548.9506 14462.3599 248.6114 -203456.1650 2674.4017 0.0000 0.0000 52063.7323 -109488.2047 299.2110 -161551.9370 -109123.2036 299.4233 160.8593 184.8146 762881.0220 -1.4262 -1.6408 LDB: ============= START OF LOAD BALANCING ============== 177.803 LDB: ============== END OF LOAD BALANCING =============== 177.803 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 177.805 LDB: ============= START OF LOAD BALANCING ============== 178.12 LDB: Largest compute 7034 load 0.034388 is 17.7% of average load 0.194575 LDB: Average compute 0.004402 is 2.3% of average load 0.194575 LDB: TIME 178.123 LOAD: AVG 0.194575 MAX 0.211381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.062 MB LDB: TIME 178.123 LOAD: AVG 0.194575 MAX 0.211381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.062 MB LDB: TIME 178.124 LOAD: AVG 0.194575 MAX 0.211381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.062 MB LDB: ============== END OF LOAD BALANCING =============== 178.125 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 178.13 PRESSURE: 52400 228.984 -85.1582 -111.912 -85.1586 2.37991 163.419 -111.912 163.42 180.789 GPRESSURE: 52400 302.594 -108.955 -122.351 -41.3593 17.4628 81.8832 -30.6499 137.461 190.18 PRESSAVG: 52400 55.4703 -5.83056 20.2729 -5.83063 -49.5343 20.8988 20.2729 20.8988 17.5259 GPRESSAVG: 52400 56.292 -6.2824 19.0298 -4.8556 -50.4189 21.4173 21.2501 18.9826 17.0074 TIMING: 52400 CPU: 166.024, 0.0032156/step Wall: 166.024, 0.0032156/step, 4.4193 hours remaining, 220.886719 MB of memory in use. ENERGY: 52400 3977.7455 20461.2174 14405.9580 243.6054 -203586.8078 2734.3290 0.0000 0.0000 52182.8894 -109581.0632 299.8958 -161763.9525 -109214.1136 299.2036 137.3844 170.0787 762012.0166 7.8207 7.6268 PRESSURE: 52600 292.965 331.391 96.9763 331.39 173.636 17.6879 96.9757 17.6865 -179.33 GPRESSURE: 52600 284.055 346.104 47.7497 288.427 177.543 23.0614 48.8964 14.8919 -83.0928 PRESSAVG: 52600 23.7455 -36.5821 5.0711 -36.5821 -45.332 23.5009 5.07111 23.501 -47.2824 GPRESSAVG: 52600 23.2076 -34.4776 5.23212 -38.9552 -44.9554 21.7892 3.54894 27.3986 -47.1456 TIMING: 52600 CPU: 166.653, 0.00314304/step Wall: 166.653, 0.00314304/step, 4.31941 hours remaining, 221.085938 MB of memory in use. ENERGY: 52600 3967.2046 20353.8306 14502.0378 258.9235 -203654.2124 2758.9443 0.0000 0.0000 52204.0727 -109609.1989 300.0175 -161813.2716 -109243.3281 299.2652 95.7571 126.1683 760958.7062 -22.9563 -22.9645 PRESSURE: 52800 85.7103 11.334 200.184 11.3346 -264.786 -75.5594 200.184 -75.5586 -305.593 GPRESSURE: 52800 152.693 -132.99 76.1112 38.2518 -246.37 31.6069 262.18 -98.2319 -311.929 PRESSAVG: 52800 55.822 1.78423 11.129 1.78432 -18.4077 7.52192 11.129 7.52194 11.8787 GPRESSAVG: 52800 55.5475 -0.578512 10.5216 3.1913 -19.7963 9.02172 10.629 3.85246 12.819 TIMING: 52800 CPU: 167.282, 0.00314504/step Wall: 167.282, 0.00314504/step, 4.32198 hours remaining, 221.085938 MB of memory in use. ENERGY: 52800 3965.8364 20437.3447 14343.2181 243.6184 -203545.1586 2604.2434 0.0000 0.0000 52176.8716 -109774.0261 299.8612 -161950.8977 -109413.4001 299.3891 -161.5562 -135.2019 760780.7631 16.4310 16.1901 PRESSURE: 53000 231.151 -12.5021 -1.40217 -12.5029 -178.682 -62.3908 -1.4025 -62.3909 133.145 GPRESSURE: 53000 269.879 -61.5708 42.2921 -52.0772 -113.066 -71.1194 4.50515 66.2929 100.527 PRESSAVG: 53000 49.2678 -26.9892 14.0874 -26.9892 -14.8716 5.85883 14.0875 5.85891 27.7282 GPRESSAVG: 53000 48.7753 -25.4329 15.512 -29.1404 -13.7844 5.87562 16.0135 7.17914 26.7418 TIMING: 53000 CPU: 167.908, 0.00313006/step Wall: 167.908, 0.00313006/step, 4.30122 hours remaining, 221.085938 MB of memory in use. ENERGY: 53000 4055.9692 20622.9245 14422.7651 243.7644 -203374.0224 2428.3511 0.0000 0.0000 51999.9048 -109600.3432 298.8442 -161600.2480 -109230.4172 299.0905 61.8712 85.7799 759644.1646 20.7081 20.5776 PRESSURE: 53200 108.599 305.487 -161.87 305.487 82.2041 -160.123 -161.87 -160.122 -0.725967 GPRESSURE: 53200 51.9946 276.449 -130.601 274.356 183.682 -132.198 -95.2723 -233.278 43.9536 PRESSAVG: 53200 45.8974 -11.5777 -7.09664 -11.5777 -53.1618 -72.8083 -7.09664 -72.8082 1.34191 GPRESSAVG: 53200 46.2931 -11.9112 -8.48947 -10.3951 -53.2289 -72.9312 -7.53534 -71.6929 0.996689 TIMING: 53200 CPU: 168.533, 0.00312605/step Wall: 168.533, 0.00312605/step, 4.29555 hours remaining, 221.085938 MB of memory in use. ENERGY: 53200 3925.1951 20554.9060 14473.7842 230.8346 -202955.2311 2339.2738 0.0000 0.0000 52074.1457 -109357.0916 299.2708 -161431.2373 -108996.7265 299.6332 63.3590 93.2101 761958.6077 -1.9742 -1.9797 PRESSURE: 53400 155.773 -39.8098 84.6932 -39.8094 -206.932 58.5037 84.6931 58.5048 -397.957 GPRESSURE: 53400 214.33 8.82791 62.5168 -80.5326 -170.45 -13.2319 140.981 215.148 -384.285 PRESSAVG: 53400 -18.9454 -45.8964 -18.7945 -45.8964 0.4355 -5.69028 -18.7946 -5.69039 -2.28819 GPRESSAVG: 53400 -18.8845 -45.3514 -17.7064 -45.9393 -0.177946 -7.29623 -20.5897 -4.14555 -2.24442 TIMING: 53400 CPU: 169.159, 0.00313141/step Wall: 169.159, 0.00313141/step, 4.30274 hours remaining, 221.085938 MB of memory in use. ENERGY: 53400 3892.5170 20628.5004 14414.6824 265.8014 -203095.5019 2408.9831 0.0000 0.0000 51855.8597 -109629.1579 298.0163 -161485.0177 -109263.4767 299.3520 -149.7056 -113.4686 762278.8487 -6.9327 -7.1023 PRESSURE: 53600 -418.199 -82.3997 -230.616 -82.4003 -194.086 43.7444 -230.616 43.7439 -425.654 GPRESSURE: 53600 -459.145 -31.9726 -297.079 30.5935 -151.689 15.8479 -94.0261 -49.8307 -352.213 PRESSAVG: 53600 -1.70815 -42.8287 -23.0441 -42.8287 8.80106 38.0803 -23.044 38.0802 10.5502 GPRESSAVG: 53600 -1.89549 -44.7 -24.5683 -41.1623 8.72042 38.1815 -20.2862 37.1138 11.3012 TIMING: 53600 CPU: 169.79, 0.00315328/step Wall: 169.79, 0.00315328/step, 4.3326 hours remaining, 221.085938 MB of memory in use. ENERGY: 53600 4016.9391 20609.3647 14530.9620 235.7836 -203167.0974 2350.8995 0.0000 0.0000 51718.7982 -109704.3502 297.2286 -161423.1484 -109346.7459 299.2678 -345.9797 -321.0154 762191.0610 5.8810 6.0421 PRESSURE: 53800 -153.368 -93.0216 167.011 -93.0207 74.1622 -119.118 167.01 -119.118 -74.4681 GPRESSURE: 53800 -132.167 -182.919 144.083 -117.489 124.945 -124.637 129.36 -20.5625 -87.6375 PRESSAVG: 53800 9.12058 -61.2804 -78.1797 -61.2805 14.4399 38.8017 -78.1797 38.8017 15.0224 GPRESSAVG: 53800 9.45271 -60.4954 -77.3769 -61.4617 14.9372 39.7085 -78.7189 37.0824 14.1782 TIMING: 53800 CPU: 170.418, 0.00314145/step Wall: 170.418, 0.00314145/step, 4.31618 hours remaining, 221.085938 MB of memory in use. ENERGY: 53800 3962.7126 20491.0505 14468.4913 235.4483 -203292.7122 2441.9049 0.0000 0.0000 52199.3544 -109493.7501 299.9904 -161693.1045 -109129.8859 299.2200 -51.2246 -31.6196 760911.1608 12.8610 12.8560 PRESSURE: 54000 -306.695 -82.1518 -81.739 -82.1502 -162.727 -74.5514 -81.7392 -74.5521 -167.602 GPRESSURE: 54000 -196.285 -106.701 -81.5508 -98.7358 -186.599 -100.134 2.59101 -211.88 -159.837 PRESSAVG: 54000 16.3799 -28.7309 -114.395 -28.7309 9.74027 31.423 -114.395 31.423 -19.2127 GPRESSAVG: 54000 15.0263 -29.0061 -113.06 -28.9586 11.0078 31.4837 -115.164 33.4686 -19.5335 TIMING: 54000 CPU: 171.05, 0.00315715/step Wall: 171.05, 0.00315715/step, 4.33758 hours remaining, 221.085938 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: 54000 4046.0118 20486.3218 14414.1515 249.3063 -203492.7525 2498.8510 0.0000 0.0000 52175.4193 -109622.6908 299.8529 -161798.1101 -109253.0058 299.5031 -212.3414 -180.9071 760888.3186 2.3025 2.1669 PRESSURE: 54200 -262.852 191.713 129.538 191.714 -84.3766 -22.6936 129.539 -22.6927 86.4883 GPRESSURE: 54200 -228.981 25.9739 173.079 112.884 -71.8525 -18.6379 159.934 -49.8228 157.539 PRESSAVG: 54200 -27.2659 -20.4149 -34.1583 -20.415 25.7533 33.7621 -34.1583 33.762 -27.9571 GPRESSAVG: 54200 -27.2891 -19.3515 -34.7302 -21.6611 25.0182 32.8152 -33.3218 32.1316 -26.9473 TIMING: 54200 CPU: 171.687, 0.00318639/step Wall: 171.687, 0.00318639/step, 4.37757 hours remaining, 221.085938 MB of memory in use. ENERGY: 54200 4021.2084 20643.1950 14389.9721 245.7660 -203067.5906 2382.9685 0.0000 0.0000 52041.9877 -109342.4929 299.0860 -161384.4806 -108979.5967 299.4388 -86.9134 -47.7649 760594.2085 -9.8233 -9.7394 PRESSURE: 54400 120.669 70.1137 -6.23058 70.1138 207.302 -92.5982 -6.23172 -92.5979 -278.96 GPRESSURE: 54400 187.868 27.31 -2.29187 2.00089 214.327 -46.3059 36.2787 -50.8283 -265.051 PRESSAVG: 54400 -36.4091 -20.2214 20.335 -20.2214 9.81455 7.88822 20.335 7.88822 -15.4469 GPRESSAVG: 54400 -36.7482 -20.0665 20.0074 -20.6678 10.2092 6.7416 19.6414 7.70005 -15.2278 TIMING: 54400 CPU: 172.32, 0.00316814/step Wall: 172.32, 0.00316814/step, 4.35232 hours remaining, 221.085938 MB of memory in use. ENERGY: 54400 4010.7825 20504.5087 14451.6473 238.5875 -203275.3116 2459.0559 0.0000 0.0000 52296.2990 -109314.4307 300.5475 -161610.7297 -108959.6231 299.9616 16.3372 45.7147 760583.7522 -14.0138 -13.9222 PRESSURE: 54600 148.781 -211.876 -184.717 -211.876 286.669 81.6087 -184.716 81.6082 99.8434 GPRESSURE: 54600 220.262 -154.873 -93.2656 -189.102 331.849 22.9104 -218.563 48.9981 71.8388 PRESSAVG: 54600 -38.4882 -32.1481 -37.756 -32.148 59.7149 0.480119 -37.756 0.480141 -10.3591 GPRESSAVG: 54600 -37.2503 -31.4513 -37.6606 -31.3505 59.3345 1.57557 -38.27 2.61625 -10.9585 TIMING: 54600 CPU: 172.956, 0.00317551/step Wall: 172.956, 0.00317552/step, 4.36228 hours remaining, 221.085938 MB of memory in use. ENERGY: 54600 3960.5111 20506.3954 14428.5492 226.0579 -203567.2787 2818.8328 0.0000 0.0000 52205.7033 -109421.2289 300.0269 -161626.9323 -109054.9141 299.8627 178.4311 207.9833 759241.5945 3.6226 3.7085 PRESSURE: 54800 -3.821 178.093 70.8256 178.093 -98.0665 -49.8331 70.8261 -49.8314 149.929 GPRESSURE: 54800 -12.761 119.524 87.9804 105.09 -120.021 -197.329 56.1338 -45.0985 265.136 PRESSAVG: 54800 -10.6716 -48.4451 10.2357 -48.445 1.75413 14.3795 10.2357 14.3795 11.8137 GPRESSAVG: 54800 -10.3375 -50.6347 9.35252 -47.7798 -0.46244 13.6559 10.5532 12.0493 13.3085 TIMING: 54800 CPU: 173.583, 0.00313837/step Wall: 173.583, 0.00313837/step, 4.31107 hours remaining, 221.085938 MB of memory in use. ENERGY: 54800 4030.9758 20513.4209 14462.0810 256.1697 -203375.5806 2340.7860 0.0000 0.0000 52335.0387 -109437.1084 300.7702 -161772.1471 -109075.3163 299.7877 16.0139 44.1182 760877.5933 0.9654 0.8362 PRESSURE: 55000 189.134 -2.71767 80.0849 -2.71838 364.825 169.142 80.0849 169.141 383.939 GPRESSURE: 55000 230.753 32.0332 136.373 -28.6453 381.986 145.604 19.8653 254.954 411.538 PRESSAVG: 55000 59.9427 -21.0738 -9.84466 -21.0738 -41.0551 -29.2761 -9.84462 -29.2761 18.4174 GPRESSAVG: 55000 60.0583 -17.9441 -7.85994 -22.7763 -39.9102 -27.2452 -10.2961 -28.3168 16.9512 TIMING: 55000 CPU: 174.214, 0.0031525/step Wall: 174.214, 0.0031525/step, 4.33031 hours remaining, 221.085938 MB of memory in use. ENERGY: 55000 3924.0693 20414.9015 14384.9664 249.9604 -203663.4721 2717.9273 0.0000 0.0000 52297.5293 -109674.1179 300.5546 -161971.6472 -109303.4108 299.6748 312.6323 341.4259 759359.6980 12.4350 12.3664 PRESSURE: 55200 -217.301 -306.948 97.5492 -306.948 -284.606 46.7769 97.5489 46.7769 114.754 GPRESSURE: 55200 -215.83 -278.864 192.324 -203.549 -235.455 94.5396 133.791 86.2058 147.147 PRESSAVG: 55200 -2.38436 -27.1474 1.15676 -27.1474 26.2996 34.2704 1.15682 34.2704 8.5491 GPRESSAVG: 55200 -2.88816 -28.9447 0.635729 -27.2705 27.2399 34.9283 0.902683 32.9023 8.65622 TIMING: 55200 CPU: 174.846, 0.00316253/step Wall: 174.846, 0.00316253/step, 4.34391 hours remaining, 221.085938 MB of memory in use. ENERGY: 55200 3968.7675 20574.7363 14316.3556 236.8315 -203648.9485 2605.9919 0.0000 0.0000 52127.8315 -109818.4341 299.5794 -161946.2657 -109449.2170 299.2471 -129.0511 -101.3795 761562.4684 10.8215 11.0026 PRESSURE: 55400 -107.792 109.257 -81.7142 109.257 342.142 -88.4026 -81.7141 -88.4028 -35.1546 GPRESSURE: 55400 -26.1259 76.192 5.0949 72.1377 333.435 -57.8223 -122.696 -139.948 -7.59584 PRESSAVG: 55400 16.0175 -25.2789 -5.68534 -25.2788 -55.5764 -17.4255 -5.68534 -17.4255 -8.76395 GPRESSAVG: 55400 15.9389 -24.567 -7.06054 -23.6887 -56.7377 -18.6537 -3.52067 -14.3954 -7.46131 TIMING: 55400 CPU: 175.485, 0.00319133/step Wall: 175.485, 0.00319133/step, 4.38329 hours remaining, 221.085938 MB of memory in use. ENERGY: 55400 4080.6666 20488.7987 14458.4007 237.7621 -203786.9294 2818.3538 0.0000 0.0000 52039.6271 -109663.3204 299.0725 -161702.9474 -109307.4641 299.2293 66.3986 99.9044 761510.3578 -16.1076 -16.0867 PRESSURE: 55600 -9.08547 -98.4942 -313.647 -98.4945 -145.711 37.4667 -313.647 37.4663 88.228 GPRESSURE: 55600 -23.3255 -147.288 -285.335 81.5539 -19.2668 35.327 -192.06 6.64185 76.6205 PRESSAVG: 55600 9.86917 -59.2181 7.08645 -59.2182 -23.2432 -1.6482 7.08651 -1.64818 -10.1067 GPRESSAVG: 55600 10.8561 -60.0964 8.16932 -61.3495 -22.3531 -2.97903 6.12129 -4.90205 -11.7022 TIMING: 55600 CPU: 176.113, 0.00314223/step Wall: 176.113, 0.00314223/step, 4.31567 hours remaining, 221.085938 MB of memory in use. ENERGY: 55600 3993.4617 20518.7790 14485.0721 260.7359 -203605.5201 2645.7918 0.0000 0.0000 52120.7197 -109580.9600 299.5385 -161701.6797 -109216.9971 299.5019 -22.1893 11.3427 760520.6669 -7.8269 -7.7331 PRESSURE: 55800 -94.3391 87.8846 137.054 87.8841 261.181 -33.5173 137.054 -33.5164 246.963 GPRESSURE: 55800 3.84987 -12.8158 81.5608 94.2955 188.528 -97.3831 66.3665 143.168 316.399 PRESSAVG: 55800 8.46484 16.2098 20.0563 16.2098 -5.83779 23.9745 20.0564 23.9744 13.5399 GPRESSAVG: 55800 7.51326 16.3738 20.9628 18.2733 -6.38408 25.1123 19.1658 23.7417 14.4197 TIMING: 55800 CPU: 176.742, 0.00314627/step Wall: 176.742, 0.00314627/step, 4.32105 hours remaining, 221.085938 MB of memory in use. ENERGY: 55800 3967.2442 20406.9873 14412.8297 265.2312 -203674.2083 2755.9846 0.0000 0.0000 52162.3616 -109703.5697 299.7778 -161865.9312 -109343.3420 299.9558 137.9351 169.5924 760958.9241 5.3890 5.1829 PRESSURE: 56000 -205.556 -314.832 -173.95 -314.832 169.341 59.4293 -173.951 59.4287 -205.014 GPRESSURE: 56000 -60.4957 -333.43 -262.618 -324.864 115.307 68.4654 -191.918 82.5632 -210.64 PRESSAVG: 56000 -72.5968 -51.127 -10.2177 -51.1269 53.8796 -2.57222 -10.2177 -2.57231 19.6665 GPRESSAVG: 56000 -72.401 -50.3833 -12.031 -52.1923 54.0907 -2.3912 -9.4943 0.0673676 19.0948 TIMING: 56000 CPU: 177.374, 0.00316082/step Wall: 177.374, 0.00316082/step, 4.34086 hours remaining, 221.085938 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: 56000 4028.4359 20451.2277 14391.8519 221.6613 -203449.0802 2502.3191 0.0000 0.0000 52076.6276 -109776.9568 299.2851 -161853.5844 -109416.7157 299.2015 -80.4097 -51.9428 760754.7405 0.3164 0.2615 PRESSURE: 56200 48.6245 102.315 -13.5948 102.315 196.915 46.4676 -13.5945 46.4659 103.629 GPRESSURE: 56200 152.674 130.443 6.09135 86.4809 199.113 116.798 -44.769 -28.5559 79.5369 PRESSAVG: 56200 -10.5065 -29.1054 37.1229 -29.1055 53.7221 -2.47524 37.123 -2.47519 19.8701 GPRESSAVG: 56200 -10.893 -30.8387 36.5888 -27.6058 53.9374 -2.27442 38.0573 -4.44587 19.6399 TIMING: 56200 CPU: 178.005, 0.00315284/step Wall: 178.005, 0.00315284/step, 4.32972 hours remaining, 221.074219 MB of memory in use. ENERGY: 56200 3950.5503 20536.4482 14412.5642 254.2187 -203485.5781 2417.9585 0.0000 0.0000 52069.4602 -109844.3780 299.2439 -161913.8382 -109474.2334 299.1799 116.3895 143.7749 760130.2970 21.0286 20.8947 LDB: ============= START OF LOAD BALANCING ============== 190.425 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 190.425 LDB: =============== DONE WITH MIGRATION ================ 190.427 LDB: ============= START OF LOAD BALANCING ============== 190.742 LDB: Largest compute 7069 load 0.033936 is 17.4% of average load 0.194626 LDB: Average compute 0.004399 is 2.3% of average load 0.194626 LDB: TIME 190.745 LOAD: AVG 0.194626 MAX 0.211043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.211 MB LDB: TIME 190.746 LOAD: AVG 0.194626 MAX 0.211043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.305 MB LDB: TIME 190.746 LOAD: AVG 0.194626 MAX 0.211043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.305 MB LDB: ============== END OF LOAD BALANCING =============== 190.748 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 190.753 PRESSURE: 56400 17.9108 -129.767 187.27 -129.769 62.2395 -202.494 187.27 -202.493 -113.767 GPRESSURE: 56400 31.227 -149.144 133.851 -223.48 112.594 -199.815 123.445 -172.548 -106.089 PRESSAVG: 56400 14.0893 1.34304 -43.334 1.34309 4.75841 -5.6448 -43.3341 -5.64478 24.8538 GPRESSAVG: 56400 14.7667 1.99603 -42.9087 -0.213653 5.05339 -5.68488 -43.4075 -4.66889 24.141 TIMING: 56400 CPU: 178.647, 0.0032077/step Wall: 178.647, 0.0032077/step, 4.40488 hours remaining, 220.687500 MB of memory in use. ENERGY: 56400 4019.8224 20574.7474 14470.0396 236.9834 -203538.1319 2417.4566 0.0000 0.0000 52039.3005 -109779.7820 299.0706 -161819.0825 -109423.6077 298.6914 -11.2055 12.5771 759704.9646 14.5672 14.6537 PRESSURE: 56600 -227.035 -199.065 -173.96 -199.064 -38.6281 -153.403 -173.96 -153.403 -17.5998 GPRESSURE: 56600 -159.833 -199.491 -131.926 -213.903 -56.25 -65.3669 -267.981 24.3946 15.8603 PRESSAVG: 56600 7.61836 -8.37501 -17.6019 -8.37498 -67.0039 -9.81805 -17.6019 -9.81797 18.3652 GPRESSAVG: 56600 7.37497 -10.0327 -17.3768 -6.75566 -66.2932 -8.78321 -18.388 -11.0028 18.0903 TIMING: 56600 CPU: 179.276, 0.00314665/step Wall: 179.276, 0.00314664/step, 4.32087 hours remaining, 220.890625 MB of memory in use. ENERGY: 56600 4023.2864 20431.4883 14464.6222 250.5210 -203789.2085 2596.8562 0.0000 0.0000 52187.6905 -109834.7440 299.9234 -162022.4344 -109476.9156 299.0684 -94.4209 -66.7408 761035.7036 -13.6735 -13.6093 PRESSURE: 56800 164.111 -30.7458 210.245 -30.7459 328.765 5.04648 210.245 5.04599 161.027 GPRESSURE: 56800 193.702 25.3044 197.167 -18.2589 398.814 63.4099 168.37 -71.5402 154.883 PRESSAVG: 56800 23.0392 -52.9933 -8.96984 -52.9934 11.8358 10.8675 -8.96986 10.8675 34.8753 GPRESSAVG: 56800 22.9237 -51.6058 -9.23608 -54.7191 11.1461 9.76297 -10.1866 13.1325 35.445 TIMING: 56800 CPU: 179.906, 0.00314976/step Wall: 179.906, 0.00314976/step, 4.32497 hours remaining, 220.890625 MB of memory in use. ENERGY: 56800 4046.6855 20535.8004 14422.6239 252.2707 -203506.7804 2829.8179 0.0000 0.0000 52012.5458 -109407.0362 298.9168 -161419.5820 -109050.1518 299.3529 217.9677 249.1330 761716.9025 23.2501 23.1716 PRESSURE: 57000 -147.285 -113.544 140.97 -113.545 -161.59 109.575 140.97 109.577 -372.577 GPRESSURE: 57000 -147.324 -197.517 56.2714 -155.285 -181.207 -12.1691 94.9533 137.273 -269.447 PRESSAVG: 57000 -41.0336 -54.5109 -17.5173 -54.5109 7.72562 -40.4447 -17.5174 -40.4447 -0.42238 GPRESSAVG: 57000 -40.9401 -55.0653 -17.1174 -52.9329 7.47611 -42.9579 -16.3588 -40.0592 0.234597 TIMING: 57000 CPU: 180.535, 0.00314691/step Wall: 180.535, 0.00314691/step, 4.32088 hours remaining, 220.890625 MB of memory in use. ENERGY: 57000 4032.7945 20493.4681 14446.4692 254.2529 -202937.7372 2182.7096 0.0000 0.0000 51990.1022 -109537.9406 298.7878 -161528.0429 -109187.9425 299.3336 -227.1504 -199.3263 760565.5361 -11.2435 -11.0765 PRESSURE: 57200 -313.347 -113.052 88.7367 -113.052 -6.42512 72.0526 88.7374 72.0524 -252.73 GPRESSURE: 57200 -165.439 -75.7177 126.565 -45.6195 -42.2693 5.60382 25.0519 17.1594 -279.087 PRESSAVG: 57200 49.4196 -49.2909 33.5725 -49.2909 -17.252 -36.084 33.5725 -36.0841 -29.0878 GPRESSAVG: 57200 48.7207 -48.4624 32.7969 -49.983 -16.4572 -34.6629 33.0549 -37.411 -29.0968 TIMING: 57200 CPU: 181.168, 0.00316652/step Wall: 181.168, 0.00316652/step, 4.34763 hours remaining, 220.890625 MB of memory in use. ENERGY: 57200 3975.5853 20664.3731 14413.3633 234.0676 -203539.3754 2559.1714 0.0000 0.0000 52143.7767 -109549.0379 299.6710 -161692.8146 -109188.1094 299.4330 -190.8342 -162.2649 760406.0978 1.0266 1.0556 PRESSURE: 57400 309.751 -164.596 198.717 -164.595 26.476 -126.807 198.717 -126.808 304.151 GPRESSURE: 57400 280.745 -225.303 272.997 -93.2363 94.417 1.05763 292.284 -196.1 348.307 PRESSAVG: 57400 34.7498 -31.8737 29.0922 -31.8737 -1.97284 -22.9788 29.0922 -22.9789 37.0235 GPRESSAVG: 57400 36.2187 -32.2752 28.8661 -32.5337 -3.51728 -22.7159 29.3203 -23.043 36.6193 TIMING: 57400 CPU: 181.8, 0.00315942/step Wall: 181.8, 0.00315942/step, 4.33771 hours remaining, 220.890625 MB of memory in use. ENERGY: 57400 3967.7162 20622.2058 14440.1407 230.1572 -203322.6928 2539.4678 0.0000 0.0000 52131.7895 -109391.2156 299.6021 -161523.0051 -109039.0683 299.3940 213.4595 241.1564 758694.1531 23.2668 23.1069 PRESSURE: 57600 -332.92 -91.5611 179.734 -91.5606 -462.904 -328.37 179.734 -328.37 -256.149 GPRESSURE: 57600 -368.641 -196.646 171.234 -146.406 -423.081 -276.437 73.9962 -322.658 -176.308 PRESSAVG: 57600 29.5906 -38.9544 39.1682 -38.9544 -38.4594 -14.6868 39.1682 -14.6869 1.90618 GPRESSAVG: 57600 27.9869 -39.9196 40.289 -37.8961 -37.9222 -14.2398 39.0731 -12.6146 3.1308 TIMING: 57600 CPU: 182.433, 0.00316244/step Wall: 182.433, 0.00316244/step, 4.34168 hours remaining, 221.035156 MB of memory in use. ENERGY: 57600 4093.0432 20471.2635 14387.3875 261.1859 -202779.6979 2068.6732 0.0000 0.0000 52151.8167 -109346.3280 299.7172 -161498.1447 -108994.8907 299.6317 -350.6576 -322.6769 762533.7047 -2.3209 -2.2682 PRESSURE: 57800 -208.316 -164.758 23.8952 -164.757 -276.856 173.645 23.8957 173.644 128.391 GPRESSURE: 57800 -194.751 7.90938 83.8961 -118.288 -212.515 124.115 114.618 225.014 127.77 PRESSAVG: 57800 58.4643 -49.1064 -4.40442 -49.1063 -33.7536 6.72942 -4.40443 6.72937 -3.46669 GPRESSAVG: 57800 59.0466 -46.7699 -4.28632 -48.9551 -32.8872 5.9946 -6.19232 3.71738 -4.93863 TIMING: 57800 CPU: 183.066, 0.00316365/step Wall: 183.066, 0.00316365/step, 4.34316 hours remaining, 221.035156 MB of memory in use. ENERGY: 57800 3993.7166 20548.5811 14457.5556 239.0896 -203102.0693 2459.8968 0.0000 0.0000 52172.0244 -109231.2052 299.8333 -161403.2296 -108852.1445 299.9469 -118.9269 -93.1656 762809.8020 7.0814 7.0736 PRESSURE: 58000 304.097 -128.498 105.782 -128.499 149.491 78.7942 105.783 78.7941 267.797 GPRESSURE: 58000 344.896 -268.084 38.6555 -68.6031 255.701 167.999 79.7927 -62.1036 219.938 PRESSAVG: 58000 30.7323 -38.5059 15.3101 -38.5059 -45.2026 -14.022 15.31 -14.0221 34.5324 GPRESSAVG: 58000 31.7763 -38.267 15.5492 -38.2236 -44.8989 -13.3337 18.3165 -12.112 33.8217 TIMING: 58000 CPU: 183.696, 0.00315061/step Wall: 183.696, 0.00315061/step, 4.32509 hours remaining, 221.035156 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: 58000 3993.8246 20609.6157 14435.8125 236.1480 -203591.1916 2887.8170 0.0000 0.0000 52173.6583 -109254.3155 299.8427 -161427.9738 -108894.1569 300.2389 240.4616 273.5118 760488.1820 6.6874 6.8997 PRESSURE: 58200 160.027 104.587 31.8301 104.587 -76.5375 10.1162 31.8297 10.1166 -433.909 GPRESSURE: 58200 181.293 81.5462 99.6239 135.861 -112.668 -26.6768 -56.2686 -26.7666 -369.247 PRESSAVG: 58200 4.02788 6.69055 25.2942 6.69058 -3.71707 21.0317 25.2942 21.0317 -5.36096 GPRESSAVG: 58200 3.9939 6.46679 25.8576 5.74072 -3.58507 19.8571 22.152 23.7529 -6.08609 TIMING: 58200 CPU: 184.322, 0.00313388/step Wall: 184.322, 0.00313388/step, 4.30195 hours remaining, 221.035156 MB of memory in use. ENERGY: 58200 4028.9757 20629.4644 14409.0751 243.1073 -203255.2067 2584.5104 0.0000 0.0000 52263.3086 -109096.7651 300.3580 -161360.0736 -108741.3862 299.7434 -116.8066 -100.2076 762159.6380 -1.6834 -1.8924 PRESSURE: 58400 7.58152 -32.515 -86.509 -32.515 312.197 -25.445 -86.5095 -25.4446 85.3774 GPRESSURE: 58400 136.581 -65.3906 -74.3719 16.3599 207.317 -7.71101 -26.555 -58.12 151.167 PRESSAVG: 58400 -17.1592 -17.2528 -72.2841 -17.2527 53.8745 60.8223 -72.2841 60.8223 -15.3843 GPRESSAVG: 58400 -17.6869 -18.4197 -73.573 -16.1148 53.4833 61.6419 -70.8849 57.3004 -14.2764 TIMING: 58400 CPU: 184.949, 0.00313433/step Wall: 184.949, 0.00313433/step, 4.30238 hours remaining, 221.035156 MB of memory in use. ENERGY: 58400 3994.9376 20521.9914 14456.5085 238.9647 -203277.4866 2667.2568 0.0000 0.0000 52263.5559 -109134.2716 300.3594 -161397.8275 -108768.4839 300.4455 135.0519 165.0216 762054.1170 7.1103 7.1733 PRESSURE: 58600 -216.397 -36.7991 117.873 -36.7994 324.055 -72.8306 117.873 -72.8301 27.8561 GPRESSURE: 58600 -119.579 -2.11683 205.141 -55.9212 331.271 -45.6511 123.303 20.7514 22.7329 PRESSAVG: 58600 -17.5735 -39.0174 48.7147 -39.0174 19.0542 29.1487 48.7147 29.1487 8.32901 GPRESSAVG: 58600 -15.8093 -38.9704 48.3943 -40.8369 19.2543 30.1119 49.5112 29.5227 7.02375 TIMING: 58600 CPU: 185.578, 0.00314425/step Wall: 185.578, 0.00314425/step, 4.31583 hours remaining, 221.035156 MB of memory in use. ENERGY: 58600 3993.1589 20425.6247 14401.5908 245.4290 -202711.4115 2232.9747 0.0000 0.0000 52143.3154 -109269.3180 299.6684 -161412.6334 -108913.7517 300.0423 45.1715 78.1416 762782.2763 3.2699 3.4896 PRESSURE: 58800 397.172 -3.31038 110.381 -3.30989 54.9361 -9.41633 110.381 -9.41617 623.872 GPRESSURE: 58800 398.815 45.7685 151.135 28.5894 105.99 -13.3537 12.623 30.4405 648.676 PRESSAVG: 58800 10.0974 -28.0181 61.5365 -28.0182 4.61702 53.5625 61.5365 53.5624 22.7447 GPRESSAVG: 58800 9.0963 -29.6612 62.4773 -26.4547 4.84838 53.0265 61.4941 52.6331 23.1515 TIMING: 58800 CPU: 186.204, 0.00312962/step Wall: 186.204, 0.00312962/step, 4.29557 hours remaining, 221.035156 MB of memory in use. ENERGY: 58800 3989.4158 20494.1999 14426.2609 267.8658 -203505.6868 2640.7183 0.0000 0.0000 52071.5888 -109615.6372 299.2561 -161687.2260 -109259.8056 299.1935 358.6603 384.4937 760725.3545 12.4864 12.3654 PRESSURE: 59000 359.399 -154.661 -45.382 -154.661 11.9297 181.958 -45.3808 181.959 132.996 GPRESSURE: 59000 378.961 -158.273 -122.054 -155.176 57.0209 167.705 -11.7583 225.996 161.437 PRESSAVG: 59000 -2.90704 -13.5002 -30.3811 -13.5003 -1.86326 9.06072 -30.3811 9.06073 14.8562 GPRESSAVG: 59000 -3.50381 -11.559 -32.1716 -13.4433 -2.23168 9.22451 -31.2335 10.3253 15.4949 TIMING: 59000 CPU: 186.838, 0.003167/step Wall: 186.838, 0.003167/step, 4.34671 hours remaining, 221.035156 MB of memory in use. ENERGY: 59000 3952.1556 20534.5938 14384.5011 235.6693 -203615.1690 2614.7321 0.0000 0.0000 52139.5719 -109753.9451 299.6468 -161893.5171 -109389.9632 299.0263 168.1081 199.1395 760048.9253 3.3620 3.2532 PRESSURE: 59200 73.1965 -134.097 -184.839 -134.096 -362.277 13.6161 -184.839 13.616 -47.575 GPRESSURE: 59200 25.1417 -54.9947 -159.206 -128.569 -196.674 -2.97521 -85.1118 88.4209 -100.267 PRESSAVG: 59200 13.4225 -17.5211 54.4591 -17.5211 -19.4871 14.6518 54.4591 14.6518 -13.5844 GPRESSAVG: 59200 14.3763 -17.0697 55.691 -19.8295 -19.947 14.4854 55.3945 15.5878 -13.8485 TIMING: 59200 CPU: 187.471, 0.00316631/step Wall: 187.471, 0.00316631/step, 4.34559 hours remaining, 221.035156 MB of memory in use. ENERGY: 59200 3948.5060 20555.7134 14444.7138 257.4130 -203429.2023 2415.4954 0.0000 0.0000 52016.7167 -109790.6440 298.9408 -161807.3608 -109424.8555 299.1498 -112.2186 -90.5997 760479.7134 -6.5497 -6.4730 PRESSURE: 59400 -239.839 -98.8043 88.8928 -98.8058 -228.245 153.993 88.8927 153.993 -222.562 GPRESSURE: 59400 -227.824 -54.1732 114.389 -27.066 -207.189 95.1646 -42.7764 152.067 -158.161 PRESSAVG: 59400 6.32231 -64.8829 -46.9548 -64.8829 6.39342 56.4391 -46.9548 56.4391 14.1971 GPRESSAVG: 59400 6.10074 -67.0393 -46.7673 -63.4279 7.04555 57.0093 -47.9426 54.3924 13.9395 TIMING: 59400 CPU: 188.103, 0.00315927/step Wall: 188.103, 0.00315927/step, 4.33575 hours remaining, 221.035156 MB of memory in use. ENERGY: 59400 4018.3496 20408.0754 14386.6639 250.8471 -203371.2390 2513.6141 0.0000 0.0000 52204.9237 -109588.7652 300.0224 -161793.6889 -109221.9760 299.3567 -230.2157 -197.7245 761276.3494 8.9710 9.0286 PRESSURE: 59600 -277.749 77.4484 309.553 77.4484 163.999 -83.1591 309.553 -83.1592 332.301 GPRESSURE: 59600 -164.577 -7.4573 390.574 41.8318 140.792 -140.031 275.406 -33.9313 348.886 PRESSAVG: 59600 25.1399 34.3876 -9.85395 34.3876 -25.4746 16.6636 -9.85399 16.6636 21.5075 GPRESSAVG: 59600 24.5075 36.1533 -9.97148 34.4494 -24.9774 15.22 -11.4564 17.6192 21.8436 TIMING: 59600 CPU: 188.735, 0.00316155/step Wall: 188.735, 0.00316155/step, 4.3387 hours remaining, 221.035156 MB of memory in use. ENERGY: 59600 3893.3415 20405.2724 14387.4275 258.2641 -203250.8978 2461.5643 0.0000 0.0000 51906.8411 -109938.1870 298.3093 -161845.0280 -109569.5459 298.7161 72.8505 108.3670 761566.0057 7.0576 7.1246 PRESSURE: 59800 -84.3428 -143.445 -26.7655 -143.445 -192.025 19.2161 -26.7663 19.2156 -92.9778 GPRESSURE: 59800 -56.2893 -82.3218 -38.4968 -123.257 -91.2598 78.1544 -55.887 -126.786 -123.642 PRESSAVG: 59800 -33.2036 -40.7738 32.73 -40.7739 38.7488 -24.7501 32.73 -24.7501 -8.30905 GPRESSAVG: 59800 -34.6811 -42.0296 32.2626 -41.9482 39.5068 -24.0871 34.1541 -24.9548 -7.80617 TIMING: 59800 CPU: 189.365, 0.00315213/step Wall: 189.365, 0.00315213/step, 4.3256 hours remaining, 221.035156 MB of memory in use. ENERGY: 59800 3959.8377 20588.9100 14459.3694 237.9318 -204071.7969 2954.8564 0.0000 0.0000 52013.0301 -109857.8615 298.9196 -161870.8916 -109494.3703 298.1974 -123.1151 -90.3971 761943.0355 -0.9213 -0.9935 PRESSURE: 60000 -5.50169 -63.2725 135.708 -63.2724 82.4186 45.025 135.708 45.0254 0.251662 GPRESSURE: 60000 78.5285 -135.688 116.041 -23.1319 52.2275 42.6473 106.998 20.4332 18.1923 PRESSAVG: 60000 -0.172575 -71.7751 69.1341 -71.7751 -8.11383 -41.6746 69.1341 -41.6746 2.3214 GPRESSAVG: 60000 0.249326 -72.1144 69.5188 -72.5853 -8.10947 -42.1198 70.4494 -40.9165 2.20486 TIMING: 60000 CPU: 189.995, 0.00315048/step Wall: 189.995, 0.00315048/step, 4.32316 hours remaining, 221.035156 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: 60000 3996.8089 20489.5316 14381.7593 247.2195 -203345.6830 2324.0502 0.0000 0.0000 52103.7411 -109802.5723 299.4409 -161906.3134 -109433.0385 298.6766 25.7229 49.6494 761470.4098 -1.9883 -1.8851 PRESSURE: 60200 -72.0366 -319.755 91.1103 -319.754 -382.229 208.744 91.1093 208.744 -278.257 GPRESSURE: 60200 -121.62 -283.146 88.6382 -267.649 -278.374 157.643 159.245 203.341 -239.385 PRESSAVG: 60200 -39.588 -56.5687 75.6061 -56.5687 27.8304 10.9997 75.6061 10.9997 -9.35403 GPRESSAVG: 60200 -39.0724 -56.6595 75.1875 -54.1521 27.1381 10.2915 73.1409 11.9766 -9.36789 TIMING: 60200 CPU: 190.625, 0.00314571/step Wall: 190.625, 0.00314571/step, 4.31644 hours remaining, 221.035156 MB of memory in use. ENERGY: 60200 3989.4899 20413.3514 14413.6092 258.8989 -202878.0113 2121.1871 0.0000 0.0000 51718.3839 -109963.0910 297.2263 -161681.4749 -109594.3918 298.0496 -244.1742 -213.1266 762192.5351 -7.0372 -7.1007 LDB: ============= START OF LOAD BALANCING ============== 203.048 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 203.048 LDB: =============== DONE WITH MIGRATION ================ 203.05 LDB: ============= START OF LOAD BALANCING ============== 203.367 LDB: Largest compute 7047 load 0.037357 is 19.2% of average load 0.194614 LDB: Average compute 0.004394 is 2.3% of average load 0.194614 LDB: TIME 203.37 LOAD: AVG 0.194614 MAX 0.209354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.398 MB LDB: TIME 203.371 LOAD: AVG 0.194614 MAX 0.209354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.602 MB LDB: TIME 203.371 LOAD: AVG 0.194614 MAX 0.209354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.602 MB LDB: ============== END OF LOAD BALANCING =============== 203.373 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 203.378 PRESSURE: 60400 28.2292 16.5655 -211.69 16.5653 -190.558 -59.4867 -211.69 -59.4871 -15.2798 GPRESSURE: 60400 96.3225 -6.46386 -135.689 17.168 -201.375 -26.8186 -7.03439 -74.4903 25.6695 PRESSAVG: 60400 7.42205 -39.8555 58.9921 -39.8555 29.004 -26.9808 58.9921 -26.9808 6.44293 GPRESSAVG: 60400 7.48785 -37.0638 59.4578 -42.0998 29.4208 -26.5243 61.2684 -30.7485 6.52746 TIMING: 60400 CPU: 191.272, 0.00323472/step Wall: 191.272, 0.00323472/step, 4.4384 hours remaining, 220.945312 MB of memory in use. ENERGY: 60400 3959.7827 20691.7922 14398.3710 245.2669 -203635.8439 2612.9463 0.0000 0.0000 51629.7240 -110097.9608 296.7167 -161727.6848 -109738.2595 298.5267 -59.2028 -26.4612 760554.0537 14.2897 14.4787 PRESSURE: 60600 -186.546 10.127 -220.37 10.127 -177.003 71.8563 -220.368 71.8571 -119.413 GPRESSURE: 60600 -135.736 -75.876 -255.66 -1.20699 -127.134 104.743 -111.279 62.3465 -128.69 PRESSAVG: 60600 -14.3863 -60.9573 21.9206 -60.9573 26.7248 7.45382 21.9206 7.45386 -28.1323 GPRESSAVG: 60600 -15.1782 -63.066 23.1622 -59.1795 27.1939 7.93392 21.0337 9.56782 -27.5798 TIMING: 60600 CPU: 191.908, 0.0031799/step Wall: 191.908, 0.0031799/step, 4.363 hours remaining, 221.148438 MB of memory in use. ENERGY: 60600 3986.9797 20627.7225 14426.3411 223.7392 -203628.3157 2350.0001 0.0000 0.0000 51996.3210 -110017.2121 298.8236 -162013.5331 -109658.8579 298.2820 -160.9871 -130.5199 761046.4870 -5.2646 -5.1880 PRESSURE: 60800 -307.377 36.5426 -150.998 36.5428 -69.3208 -56.0564 -150.997 -56.0565 31.1934 GPRESSURE: 60800 -324.23 -53.9158 -104.989 -24.0412 68.8844 -55.7286 -47.2166 15.0138 12.2302 PRESSAVG: 60800 12.8814 -75.4876 -8.7466 -75.4876 -29.4091 -45.8935 -8.74659 -45.8936 13.5283 GPRESSAVG: 60800 13.1418 -75.946 -10.8815 -76.9347 -28.2181 -45.3786 -8.60768 -46.1279 12.4299 TIMING: 60800 CPU: 192.549, 0.00320864/step Wall: 192.549, 0.00320864/step, 4.40225 hours remaining, 221.292969 MB of memory in use. ENERGY: 60800 4049.2185 20555.4877 14469.0809 227.7117 -203447.1349 2495.4296 0.0000 0.0000 51767.8997 -109882.3068 297.5108 -161650.2065 -109526.1490 298.5119 -115.1680 -81.0384 761482.5636 -0.9998 -0.8821 PRESSURE: 61000 -434.56 -158.291 -120.995 -158.291 171.793 -11.6862 -120.994 -11.6868 -40.7272 GPRESSURE: 61000 -190.169 -221.576 -92.2734 -149.114 173.48 -81.794 -168.819 -65.7901 -192.788 PRESSAVG: 61000 19.893 -54.6376 -41.3677 -54.6376 -2.09296 -76.122 -41.3677 -76.1221 17.6419 GPRESSAVG: 61000 20.8899 -53.1976 -38.9835 -53.7456 -3.26815 -78.5364 -42.5126 -76.4143 18.1864 TIMING: 61000 CPU: 193.184, 0.00317538/step Wall: 193.184, 0.00317538/step, 4.35645 hours remaining, 221.292969 MB of memory in use. ENERGY: 61000 4005.7594 20477.4891 14493.5309 257.2448 -203697.7452 2614.3212 0.0000 0.0000 52074.1105 -109775.2893 299.2706 -161849.3998 -109412.8147 298.6041 -101.1649 -69.8258 760927.8332 11.8140 11.9360 PRESSURE: 61200 -58.1215 -81.7399 -81.618 -81.7405 102.242 -275.901 -81.6181 -275.9 -170.78 GPRESSURE: 61200 -76.5507 -185.544 -90.3887 -1.32251 170.705 -267.332 -74.5864 -242.783 -151.488 PRESSAVG: 61200 -30.7333 -84.471 -36.1096 -84.471 -12.6278 9.81473 -36.1096 9.81473 23.8672 GPRESSAVG: 61200 -30.4324 -84.2271 -37.5971 -86.1561 -11.8765 12.3902 -34.6696 10.4991 22.6977 TIMING: 61200 CPU: 193.813, 0.00314198/step Wall: 193.813, 0.00314198/step, 4.31045 hours remaining, 221.292969 MB of memory in use. ENERGY: 61200 3958.3444 20559.3481 14423.8373 232.2396 -203621.5017 2352.5942 0.0000 0.0000 52095.9478 -109999.1903 299.3961 -162095.1381 -109635.8572 299.1203 -42.2201 -19.1112 759442.2002 -6.4980 -6.5371 PRESSURE: 61400 -174.102 -19.4079 -200.773 -19.4078 -2.83294 20.7976 -200.773 20.7988 -126.219 GPRESSURE: 61400 -168.887 16.1402 -178.427 57.4153 58.7533 24.9686 -155.142 70.6139 -111.69 PRESSAVG: 61400 27.229 -48.366 -50.0489 -48.366 36.5902 27.3716 -50.0489 27.3717 -7.03559 GPRESSAVG: 61400 26.0715 -49.6616 -50.2899 -46.9896 36.7392 26.8406 -50.9716 25.5912 -5.84918 TIMING: 61400 CPU: 194.448, 0.00317762/step Wall: 194.448, 0.00317762/step, 4.35917 hours remaining, 221.292969 MB of memory in use. ENERGY: 61400 3976.5686 20620.2908 14443.5398 230.9536 -203548.4541 2530.1623 0.0000 0.0000 51922.1770 -109824.7621 298.3975 -161746.9390 -109457.1562 298.4613 -101.0511 -73.9412 760727.3512 18.9279 18.9872 PRESSURE: 61600 285.976 39.9549 -35.7941 39.9545 250.283 -45.6666 -35.7942 -45.6658 306.802 GPRESSURE: 61600 371.065 -1.35294 -49.0223 58.0927 246.228 -67.553 78.8748 -72.9496 298.939 PRESSAVG: 61600 -57.6514 -58.8988 -51.5079 -58.8988 55.5543 2.3015 -51.508 2.30152 -5.79215 GPRESSAVG: 61600 -57.3384 -58.2991 -49.2108 -60.1558 55.3249 3.03701 -50.2502 2.83299 -5.53118 TIMING: 61600 CPU: 195.082, 0.00316862/step Wall: 195.082, 0.00316862/step, 4.34665 hours remaining, 221.292969 MB of memory in use. ENERGY: 61600 4008.2628 20716.1764 14395.0830 237.4122 -203783.5871 2595.0312 0.0000 0.0000 51948.0096 -109883.6118 298.5459 -161831.6214 -109530.4921 298.9448 281.0204 305.4108 759621.1362 -2.6298 -2.5149 PRESSURE: 61800 -420.049 -134.188 197.629 -134.188 -84.7978 2.12179 197.63 2.12243 86.1716 GPRESSURE: 61800 -337.36 -47.6767 149.577 -49.8931 -23.2734 5.36488 99.2607 101.525 34.5244 PRESSAVG: 61800 -80.1227 -57.2435 -44.6381 -57.2434 87.9532 18.6175 -44.6381 18.6175 8.78823 GPRESSAVG: 61800 -80.372 -56.3141 -45.4661 -56.8332 89.6013 17.786 -46.2517 18.4181 8.03694 TIMING: 61800 CPU: 195.712, 0.00315102/step Wall: 195.712, 0.00315102/step, 4.32232 hours remaining, 221.292969 MB of memory in use. ENERGY: 61800 3921.3501 20593.3243 14362.3538 268.4553 -203452.3678 2514.4509 0.0000 0.0000 51899.2542 -109893.1790 298.2657 -161792.4332 -109540.7061 298.8432 -139.5583 -108.7031 761323.2979 5.5396 5.7554 PRESSURE: 62000 -200.763 -128.461 186.739 -128.462 -393.167 217.864 186.738 217.864 -236.078 GPRESSURE: 62000 -176.079 -209.71 160.191 -58.52 -298.194 228.009 188.325 166.72 -268.383 PRESSAVG: 62000 -2.70127 -47.4176 34.0577 -47.4175 -38.6196 22.3152 34.0578 22.3152 23.8154 GPRESSAVG: 62000 -0.59292 -48.3104 33.665 -47.2964 -39.8526 20.1169 34.1386 22.4592 22.899 TIMING: 62000 CPU: 196.352, 0.00320066/step Wall: 196.352, 0.00320066/step, 4.39024 hours remaining, 221.292969 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: 62000 3986.9092 20567.2767 14369.4207 239.8547 -203511.3221 2591.9558 0.0000 0.0000 52075.2040 -109680.7011 299.2769 -161755.9051 -109326.9803 299.2136 -276.6692 -247.5521 763803.4016 -5.8352 -5.8488 PRESSURE: 62200 192.906 -55.0021 489.51 -55.0016 -370.21 72.9813 489.511 72.9819 17.6446 GPRESSURE: 62200 137.88 -82.5132 482.532 -185.88 -301.776 23.8292 456.437 12.2211 91.0524 PRESSAVG: 62200 34.7962 -38.5623 18.5715 -38.5623 -33.8932 -5.29123 18.5715 -5.29123 2.58035 GPRESSAVG: 62200 33.5563 -37.7348 17.2359 -39.3981 -34.4048 -4.20497 19.3134 -4.35916 4.00216 TIMING: 62200 CPU: 196.984, 0.00315726/step Wall: 196.984, 0.00315726/step, 4.33053 hours remaining, 221.292969 MB of memory in use. ENERGY: 62200 3984.9179 20381.9463 14404.8601 251.3654 -203731.1190 2850.6621 0.0000 0.0000 52114.1680 -109743.1991 299.5008 -161857.3671 -109374.2961 299.4397 -53.2198 -24.2812 760814.9246 1.1611 1.0512 PRESSURE: 62400 181.069 -2.67641 -84.6407 -2.67608 189.879 -30.9044 -84.6405 -30.9047 396.547 GPRESSURE: 62400 211.651 -48.4951 -88.5741 -106.219 247.503 69.4686 -118.959 -129.14 396.231 PRESSAVG: 62400 27.9111 -4.60381 32.2347 -4.60378 -33.1939 2.09575 32.2346 2.09578 -28.5692 GPRESSAVG: 62400 27.3754 -5.64725 33.0407 -4.53127 -32.099 4.27083 31.732 -0.158944 -29.1551 TIMING: 62400 CPU: 197.618, 0.0031724/step Wall: 197.618, 0.0031724/step, 4.35112 hours remaining, 221.292969 MB of memory in use. ENERGY: 62400 3968.1035 20645.9156 14441.8263 248.3109 -203591.7246 2780.5136 0.0000 0.0000 51891.3377 -109615.7169 298.2202 -161507.0545 -109253.5700 299.1952 255.8317 285.1283 762610.8766 -11.2840 -11.2929 PRESSURE: 62600 51.5925 -102.766 -109.977 -102.766 -148.124 41.3928 -109.977 41.393 -126.801 GPRESSURE: 62600 49.5548 -27.5909 -263.201 -101.931 -87.494 -12.4905 55.6491 59.6701 -107.19 PRESSAVG: 62600 -5.98532 14.2493 -26.5248 14.2493 -1.16551 19.2587 -26.5248 19.2586 -2.64858 GPRESSAVG: 62600 -7.04726 15.5342 -26.9246 13.5451 -1.85985 19.6514 -26.7736 20.7709 -1.41223 TIMING: 62600 CPU: 198.25, 0.00315752/step Wall: 198.25, 0.00315752/step, 4.33053 hours remaining, 221.292969 MB of memory in use. ENERGY: 62600 3934.1288 20611.5596 14430.2788 227.0190 -203786.3784 2747.4109 0.0000 0.0000 52098.2911 -109737.6903 299.4096 -161835.9813 -109371.6545 298.4987 -74.4443 -48.3763 762533.2052 -3.2665 -3.4398 PRESSURE: 62800 -33.9074 -35.9655 353.075 -35.9657 -109.111 -154.269 353.074 -154.268 5.81111 GPRESSURE: 62800 -29.7859 -84.2017 376.165 103.207 -51.8571 -122.828 369.009 -47.2708 1.84032 PRESSAVG: 62800 4.68853 -1.79387 -9.79873 -1.79385 20.2649 6.27044 -9.79874 6.27058 -11.0435 GPRESSAVG: 62800 6.90048 -2.06696 -7.3427 -1.71368 20.1169 4.61716 -9.97763 5.8889 -12.6931 TIMING: 62800 CPU: 198.878, 0.0031392/step Wall: 198.878, 0.0031392/step, 4.30523 hours remaining, 221.292969 MB of memory in use. ENERGY: 62800 4009.3346 20465.0838 14419.4704 235.2444 -203512.5377 2706.4491 0.0000 0.0000 51917.0440 -109759.9115 298.3680 -161676.9555 -109390.4834 298.5784 -45.7356 -26.6009 761900.1458 4.6367 4.7748 PRESSURE: 63000 78.6255 -24.8851 239.203 -24.8849 67.2693 156.696 239.203 156.697 38.0826 GPRESSURE: 63000 15.5474 -108.377 261.496 100.023 141.523 166.17 196.891 184.916 119.706 PRESSAVG: 63000 -34.203 -10.9468 19.7438 -10.9469 -9.7917 -23.4796 19.7437 -23.4795 -0.639829 GPRESSAVG: 63000 -37.0008 -11.5412 17.6732 -8.96249 -8.9735 -23.6516 20.9349 -22.2726 1.46063 TIMING: 63000 CPU: 199.51, 0.00316216/step Wall: 199.51, 0.00316216/step, 4.33655 hours remaining, 221.292969 MB of memory in use. ENERGY: 63000 3940.2799 20600.6536 14429.3788 253.3302 -203297.0440 2464.0267 0.0000 0.0000 51765.9271 -109843.4476 297.4995 -161609.3747 -109491.5117 298.3423 61.3258 92.2588 761677.6095 -14.8782 -14.8379 PRESSURE: 63200 279.469 -20.1342 -85.7112 -20.1345 351.343 -63.4555 -85.7111 -63.4556 64.3463 GPRESSURE: 63200 229.309 -140.681 -106.063 -97.314 408.118 -40.7449 -68.5307 -61.7993 142.095 PRESSAVG: 63200 -2.00545 -38.7767 -44.3974 -38.7767 -8.56738 -30.1711 -44.3974 -30.1711 -17.8166 GPRESSAVG: 63200 -1.32839 -38.7406 -43.9307 -40.1468 -8.21599 -29.3441 -45.6071 -29.8922 -19.1725 TIMING: 63200 CPU: 200.146, 0.00317883/step Wall: 200.146, 0.00317883/step, 4.35924 hours remaining, 221.292969 MB of memory in use. ENERGY: 63200 3990.1274 20526.0270 14421.9079 259.9723 -203815.0210 2901.9480 0.0000 0.0000 51900.0660 -109814.9725 298.2704 -161715.0384 -109459.2023 298.6089 231.7197 259.8409 761727.1770 -9.4632 -9.5723 PRESSURE: 63400 61.8108 -93.9068 -121.118 -93.9066 -28.746 -93.2026 -121.118 -93.2023 -5.32186 GPRESSURE: 63400 138.625 -2.14263 -142.25 -87.0708 -10.5138 -26.6975 -93.2742 -145.852 -24.8859 PRESSAVG: 63400 -43.9566 -33.4031 5.94457 -33.403 33.6097 -40.5444 5.94453 -40.5444 12.0631 GPRESSAVG: 63400 -42.5777 -30.6986 5.8787 -34.4402 32.9553 -40.7363 6.8297 -41.7463 11.9828 TIMING: 63400 CPU: 200.781, 0.0031767/step Wall: 200.781, 0.0031767/step, 4.35613 hours remaining, 221.292969 MB of memory in use. ENERGY: 63400 3940.5214 20389.3843 14405.4958 250.3941 -203594.7276 2808.5063 0.0000 0.0000 52198.6358 -109601.7899 299.9863 -161800.4257 -109228.3349 298.6472 9.2476 34.4086 761690.9598 0.5720 0.7868 PRESSURE: 63600 -258.83 -49.3692 -190.422 -49.3687 -87.799 63.4187 -190.422 63.4181 -530.415 GPRESSURE: 63600 -215.336 -52.5792 -286.473 -102.693 -38.49 21.9479 -111.292 29.4467 -547.233 PRESSAVG: 63600 -5.26658 -36.6933 -30.8575 -36.6933 -13.0694 -38.053 -30.8575 -38.053 -4.81961 GPRESSAVG: 63600 -5.6939 -38.1212 -29.8885 -35.7995 -12.1506 -38.9808 -30.1744 -38.4695 -5.17891 TIMING: 63600 CPU: 201.419, 0.00318807/step Wall: 201.419, 0.00318807/step, 4.37155 hours remaining, 221.292969 MB of memory in use. ENERGY: 63600 3960.6737 20384.9637 14465.9977 253.0034 -203643.3601 2617.4067 0.0000 0.0000 52154.7069 -109806.6079 299.7338 -161961.3148 -109438.5356 299.0437 -292.3481 -267.0196 760963.6948 -7.7185 -7.6745 PRESSURE: 63800 -245.943 -207.486 -132.493 -207.486 178.973 114.461 -132.494 114.461 380.489 GPRESSURE: 63800 -161.951 -173.086 -129.635 -187.7 204.423 90.6451 -239.598 250.893 335.878 PRESSAVG: 63800 -10.321 -41.0351 -0.0628125 -41.0352 -16.9878 -4.88638 -0.0628502 -4.8864 23.0048 GPRESSAVG: 63800 -10.8394 -42.1868 -0.575863 -41.4478 -17.0088 -4.257 -1.64937 -5.05172 23.6653 TIMING: 63800 CPU: 202.047, 0.00314098/step Wall: 202.047, 0.00314098/step, 4.30681 hours remaining, 221.292969 MB of memory in use. ENERGY: 63800 4013.2170 20615.6138 14432.3571 250.5504 -203824.0284 2737.2448 0.0000 0.0000 52186.2689 -109588.7764 299.9152 -161775.0453 -109228.1462 299.4369 104.5063 126.1168 760741.3531 -1.4346 -1.3943 PRESSURE: 64000 -291.554 -130.813 120.055 -130.813 16.3447 -144.45 120.054 -144.45 309.353 GPRESSURE: 64000 -204.367 -141.466 163.722 -83.3905 41.8417 -196.533 99.0127 -124.09 255.866 PRESSAVG: 64000 -14.1307 -108.478 -43.4136 -108.478 8.67655 39.2256 -43.4136 39.2255 -23.7148 GPRESSAVG: 64000 -12.253 -105.25 -44.2009 -107.76 8.09059 38.5945 -43.821 37.678 -24.8934 TIMING: 64000 CPU: 202.677, 0.00314853/step Wall: 202.677, 0.00314853/step, 4.31699 hours remaining, 221.292969 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: 64000 4019.3361 20754.7369 14416.2000 263.7380 -202893.1646 2268.1190 0.0000 0.0000 51797.5387 -109373.4959 297.6812 -161171.0346 -109023.1442 299.8955 11.3811 31.1136 761854.4251 -9.7230 -9.6853 PRESSURE: 64200 -180.981 -233.066 -112.453 -233.065 245.304 150.005 -112.453 150.004 0.0741994 GPRESSURE: 64200 -79.6307 -236.744 -177.217 -99.0362 169.535 92.3784 -102.948 114.223 50.7111 PRESSAVG: 64200 1.7325 -62.0759 34.4694 -62.0759 23.7301 36.9784 34.4694 36.9785 -2.45579 GPRESSAVG: 64200 1.0832 -62.5748 33.2301 -61.8965 22.7816 35.9285 36.5659 39.9883 -0.647779 TIMING: 64200 CPU: 203.311, 0.00317139/step Wall: 203.311, 0.00317139/step, 4.34815 hours remaining, 221.292969 MB of memory in use. ENERGY: 64200 3977.3909 20460.1613 14444.0789 243.6350 -203366.6321 2611.3617 0.0000 0.0000 52214.7774 -109415.2270 300.0790 -161630.0043 -109039.9324 300.0572 21.4658 46.8719 761860.8578 7.6689 7.7390 LDB: ============= START OF LOAD BALANCING ============== 215.735 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 215.735 LDB: =============== DONE WITH MIGRATION ================ 215.737 LDB: ============= START OF LOAD BALANCING ============== 216.055 LDB: Largest compute 7069 load 0.034440 is 17.7% of average load 0.194569 LDB: Average compute 0.004404 is 2.3% of average load 0.194569 LDB: TIME 216.058 LOAD: AVG 0.194569 MAX 0.210656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.469 MB LDB: TIME 216.058 LOAD: AVG 0.194569 MAX 0.210656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.469 MB LDB: TIME 216.058 LOAD: AVG 0.194569 MAX 0.210656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.469 MB LDB: ============== END OF LOAD BALANCING =============== 216.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 216.065 PRESSURE: 64400 48.9679 -200.876 -39.727 -200.875 -298.797 -182.201 -39.7259 -182.201 133.902 GPRESSURE: 64400 79.9825 -134.146 4.34187 -238.277 -223.829 -132.681 -128.898 -202.509 129.302 PRESSAVG: 64400 38.8118 -71.587 35.5194 -71.587 -42.1516 32.1775 35.5194 32.1775 -3.25884 GPRESSAVG: 64400 37.7509 -73.898 37.6981 -71.3012 -39.9442 34.0582 32.6444 31.1499 -4.04356 TIMING: 64400 CPU: 203.959, 0.00324046/step Wall: 203.959, 0.00324046/step, 4.44267 hours remaining, 221.972656 MB of memory in use. ENERGY: 64400 3998.6678 20415.3060 14454.3429 259.3017 -203622.2081 2793.8154 0.0000 0.0000 52279.2838 -109421.4905 300.4498 -161700.7743 -109052.3400 299.6258 -38.6424 -4.8483 760927.6731 -2.1995 -2.0790 PRESSURE: 64600 -542.589 199.881 -52.7524 199.88 6.93953 -51.8413 -52.753 -51.8412 -152.078 GPRESSURE: 64600 -427.704 150.569 -77.193 71.6386 36.7435 46.2265 -8.18807 -14.9254 -218.389 PRESSAVG: 64600 -9.26921 -11.6947 -32.4199 -11.6947 47.9015 -33.9423 -32.4198 -33.9423 0.519746 GPRESSAVG: 64600 -8.32118 -10.9182 -33.1931 -13.309 46.3995 -32.7257 -30.2826 -34.9345 1.03811 TIMING: 64600 CPU: 204.596, 0.00318349/step Wall: 204.596, 0.00318349/step, 4.36438 hours remaining, 222.171875 MB of memory in use. ENERGY: 64600 3922.6084 20782.1875 14446.3585 267.8928 -203220.3968 2371.3084 0.0000 0.0000 52163.0424 -109266.9986 299.7817 -161430.0410 -108896.2822 300.1475 -229.2424 -203.1163 759372.8975 13.0507 13.0388 PRESSURE: 64800 -206.91 -23.7974 147.479 -23.7978 -81.4205 -389.882 147.48 -389.882 -362.447 GPRESSURE: 64800 -258.808 4.10709 169.547 -55.7839 -8.95645 -352.753 95.2332 -299.849 -300.441 PRESSAVG: 64800 -12.4177 31.5466 -3.28914 31.5466 -10.5301 -20.2583 -3.2891 -20.2583 8.9087 GPRESSAVG: 64800 -12.0588 32.7424 -2.79674 31.8048 -10.3082 -22.7773 -3.99872 -20.9636 8.58849 TIMING: 64800 CPU: 205.228, 0.00316025/step Wall: 205.228, 0.00316025/step, 4.33235 hours remaining, 222.171875 MB of memory in use. ENERGY: 64800 4020.3713 20735.2680 14432.7778 229.1172 -202969.4385 2266.2697 0.0000 0.0000 52114.4466 -109171.1878 299.5024 -161285.6345 -108820.7673 300.2114 -216.9256 -189.4018 759928.5921 -4.6797 -4.5928 PRESSURE: 65000 -205.892 -179.476 71.1945 -179.475 251.839 -71.03 71.1951 -71.0293 -458.131 GPRESSURE: 65000 -109.13 -80.6223 54.8403 -157.783 148.384 -183.311 93.8511 -73.8437 -370.194 PRESSAVG: 65000 -68.4342 -11.1447 33.6692 -11.1447 24.9047 3.27553 33.6691 3.27556 -0.512965 GPRESSAVG: 65000 -69.1485 -11.9255 34.4321 -11.4685 25.1471 2.57363 32.9909 4.34034 -0.0453946 TIMING: 65000 CPU: 205.864, 0.00318222/step Wall: 205.864, 0.00318222/step, 4.36229 hours remaining, 222.171875 MB of memory in use. ENERGY: 65000 4012.3446 20702.2516 14375.0971 258.9248 -203583.2518 2556.6130 0.0000 0.0000 52218.6279 -109459.3928 300.1012 -161678.0207 -109095.5906 300.0017 -137.3947 -110.3132 759770.3753 -14.6808 -14.6823 PRESSURE: 65200 120.909 305.606 -11.1042 305.606 -286.229 38.1131 -11.1045 38.1134 135.639 GPRESSURE: 65200 153.986 168.952 5.53921 287.943 -241.575 60.4978 6.67038 46.475 147.288 PRESSAVG: 65200 15.375 -11.2057 42.0244 -11.2057 -11.5965 39.9264 42.0244 39.9264 -9.17784 GPRESSAVG: 65200 15.8547 -10.2021 41.5342 -11.5266 -11.6726 40.6267 42.0296 41.3088 -9.69284 TIMING: 65200 CPU: 206.499, 0.00317344/step Wall: 206.499, 0.00317344/step, 4.35008 hours remaining, 222.171875 MB of memory in use. ENERGY: 65200 4003.3531 20467.8707 14425.3627 250.0144 -202979.1762 2195.8196 0.0000 0.0000 52045.1193 -109591.6362 299.1040 -161636.7555 -109214.5708 299.5056 -9.8935 19.9001 761967.9518 -1.7998 -1.8369 PRESSURE: 65400 33.1852 91.9642 -120.906 91.9641 -62.8601 -132.709 -120.906 -132.708 -64.1337 GPRESSURE: 65400 107.634 217.146 -214.916 -34.1407 -59.492 -105.411 11.3268 -182.978 -57.8668 PRESSAVG: 65400 33.4044 8.18846 -50.8802 8.18847 -94.1331 21.9489 -50.8803 21.9491 8.89163 GPRESSAVG: 65400 33.8308 6.94889 -50.2743 9.52191 -94.775 21.6131 -50.0185 20.8692 9.14913 TIMING: 65400 CPU: 207.13, 0.00315311/step Wall: 207.13, 0.00315311/step, 4.32204 hours remaining, 222.171875 MB of memory in use. ENERGY: 65400 4003.5163 20576.4649 14435.2168 218.0870 -203034.3172 2290.4723 0.0000 0.0000 52052.4791 -109458.0807 299.1463 -161510.5598 -109107.1344 299.2919 -31.2695 -3.2417 760204.7192 -17.2790 -17.2650 PRESSURE: 65600 -34.1128 201.092 -5.15226 201.092 162.782 -91.8772 -5.1519 -91.8776 450.42 GPRESSURE: 65600 32.1992 114.655 -17.6045 199.931 135.278 -95.1183 -49.2983 28.7068 489.589 PRESSAVG: 65600 -11.912 39.2302 -21.5338 39.2302 22.3542 13.2333 -21.5337 13.2333 0.0178328 GPRESSAVG: 65600 -12.5232 39.2977 -22.2457 38.8131 22.5012 13.5366 -20.6709 15.1489 0.334002 TIMING: 65600 CPU: 207.757, 0.00313699/step Wall: 207.757, 0.00313699/step, 4.29977 hours remaining, 222.171875 MB of memory in use. ENERGY: 65600 3994.2496 20502.7888 14502.8722 229.2789 -203380.2272 2584.8782 0.0000 0.0000 52320.2004 -109245.9591 300.6849 -161566.1595 -108878.6398 299.3350 193.0298 219.0222 760224.8298 3.4867 3.4374 PRESSURE: 65800 9.64155 -39.9273 -38.3433 -39.9281 106.151 -24.0127 -38.3423 -24.0123 108.553 GPRESSURE: 65800 53.0523 -9.52901 31.6619 -31.7148 157.03 -15.2225 -2.97666 23.6337 92.0663 PRESSAVG: 65800 -31.2999 6.05666 -61.1057 6.05662 37.6481 36.8849 -61.1057 36.8849 9.00022 GPRESSAVG: 65800 -31.0714 6.63638 -59.5659 4.44804 37.6817 37.3229 -63.255 35.2411 8.76017 TIMING: 65800 CPU: 208.387, 0.00315144/step Wall: 208.387, 0.00315144/step, 4.31939 hours remaining, 222.171875 MB of memory in use. ENERGY: 65800 3924.4412 20522.4049 14539.9616 233.8162 -203241.9662 2384.6046 0.0000 0.0000 52124.6186 -109512.1191 299.5609 -161636.7377 -109131.5511 299.6421 74.7821 100.7162 760176.2145 5.1162 5.1235 PRESSURE: 66000 -61.1866 83.5301 309.427 83.5302 81.1367 91.5763 309.428 91.5758 369.405 GPRESSURE: 66000 -16.1542 7.18702 225.74 85.6851 175.435 75.1351 303.082 -33.5571 325.79 PRESSAVG: 66000 -44.2766 -9.02192 -59.6236 -9.02189 49.4567 27.3052 -59.6236 27.3051 -31.4805 GPRESSAVG: 66000 -44.3334 -8.13936 -60.9326 -10.6037 49.6513 26.9153 -58.7432 26.5219 -31.5705 TIMING: 66000 CPU: 209.023, 0.00317916/step Wall: 209.023, 0.00317916/step, 4.35722 hours remaining, 222.171875 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: 66000 4051.9264 20673.6166 14354.5243 248.8903 -203656.7184 2725.5619 0.0000 0.0000 51913.0345 -109689.1644 298.3449 -161602.1989 -109330.9889 299.2889 129.7849 161.6903 761022.8718 -8.7668 -8.7509 PRESSURE: 66200 212.598 -47.226 2.92677 -47.2259 78.6538 -220.975 2.92623 -220.973 -362.773 GPRESSURE: 66200 173.881 -54.1125 27.7863 -92.814 171.938 -255.119 -96.1596 -2.33341 -332.273 PRESSAVG: 66200 -11.0031 -13.832 25.0266 -13.832 23.9404 69.1521 25.0266 69.1522 20.6045 GPRESSAVG: 66200 -11.4154 -13.7258 23.934 -12.6542 23.6507 70.3389 25.1783 70.9582 21.2689 TIMING: 66200 CPU: 209.662, 0.0031943/step Wall: 209.662, 0.0031943/step, 4.37779 hours remaining, 222.171875 MB of memory in use. ENERGY: 66200 4005.5391 20684.8930 14445.2167 243.4151 -203674.7454 2492.9567 0.0000 0.0000 52261.6239 -109541.1009 300.3483 -161802.7248 -109180.3628 299.3120 -23.8404 4.5153 760240.5593 11.1806 11.1681 PRESSURE: 66400 -34.2966 -199.095 20.7199 -199.094 -123.529 75.3665 20.7197 75.3674 113.075 GPRESSURE: 66400 63.7263 28.6899 57.5678 -71.4387 -76.1542 98.7025 -32.8366 20.8551 44.4901 PRESSAVG: 66400 8.75645 7.66621 25.7953 7.66629 -44.9931 40.7715 25.7953 40.7715 -0.81786 GPRESSAVG: 66400 9.86673 5.76098 26.3026 9.80689 -44.9607 40.815 25.1435 41.6785 -1.49828 TIMING: 66400 CPU: 210.3, 0.00318869/step Wall: 210.3, 0.00318869/step, 4.36992 hours remaining, 222.171875 MB of memory in use. ENERGY: 66400 4001.1932 20526.9359 14491.2940 232.1998 -203480.4180 2430.2991 0.0000 0.0000 52181.2580 -109617.2380 299.8864 -161798.4960 -109245.0988 299.7316 -14.9167 10.6874 760208.4448 -12.3515 -12.1974 PRESSURE: 66600 46.4402 235.633 256.744 235.633 -75.645 -138.831 256.744 -138.83 140.247 GPRESSURE: 66600 15.5016 245.074 232.438 218.114 37.5622 -57.7478 278.003 -121.129 126.056 PRESSAVG: 66600 13.1417 12.6201 -2.80076 12.6202 -17.2819 -18.4643 -2.80072 -18.4644 -1.66434 GPRESSAVG: 66600 13.1705 13.1978 -2.84163 11.6164 -17.3555 -19.4903 -2.98327 -18.7352 -1.52691 TIMING: 66600 CPU: 210.935, 0.0031759/step Wall: 210.935, 0.0031759/step, 4.35222 hours remaining, 222.339844 MB of memory in use. ENERGY: 66600 4057.7295 20577.5034 14464.3453 248.1636 -203805.8653 2742.5749 0.0000 0.0000 52070.3669 -109645.1817 299.2491 -161715.5486 -109284.0099 299.1416 37.0142 59.7067 760454.4842 -1.9349 -1.9040 PRESSURE: 66800 -72.7705 -135.473 296.005 -135.475 241.55 150.731 296.004 150.733 95.8896 GPRESSURE: 66800 -16.3756 -94.779 246.703 -136.541 274.603 131.257 313.538 127.421 81.3471 PRESSAVG: 66800 -31.8601 33.5231 26.8094 33.5231 63.987 24.235 26.8093 24.235 -5.35491 GPRESSAVG: 66800 -32.4833 33.1658 27.2876 34.543 63.6826 25.8527 26.3357 22.4465 -4.53275 TIMING: 66800 CPU: 211.569, 0.00316851/step Wall: 211.569, 0.00316851/step, 4.34191 hours remaining, 222.339844 MB of memory in use. ENERGY: 66800 4000.3174 20602.5264 14449.1162 248.1491 -203646.5952 2645.1574 0.0000 0.0000 52069.3559 -109631.9727 299.2433 -161701.3286 -109271.3313 299.4270 88.2231 113.1917 760233.5852 8.9240 8.8889 PRESSURE: 67000 38.0668 -163.05 -232.448 -163.05 -24.2688 -54.4103 -232.447 -54.4097 33.8793 GPRESSURE: 67000 161.334 -166.314 -145.928 -128.147 -23.4062 -31.4901 -207.97 -56.785 -14.05 PRESSAVG: 67000 14.1952 -5.61109 -52.6024 -5.6111 -3.25406 -17.6821 -52.6024 -17.6821 15.3189 GPRESSAVG: 67000 15.9124 -6.3421 -53.1402 -5.02779 -3.81579 -18.6173 -52.3144 -17.1347 14.3028 TIMING: 67000 CPU: 212.205, 0.00318394/step Wall: 212.205, 0.00318394/step, 4.36289 hours remaining, 222.339844 MB of memory in use. ENERGY: 67000 3993.4716 20486.4640 14448.6973 247.7332 -203566.5192 2714.0363 0.0000 0.0000 52196.4906 -109479.6263 299.9739 -161676.1169 -109109.2539 299.4432 15.8924 41.2927 760692.0513 8.7534 8.7998 PRESSURE: 67200 -9.60561 -244.564 7.00861 -244.564 257.161 112.28 7.00905 112.279 -20.4241 GPRESSURE: 67200 45.5584 -123.833 -18.5221 -172.277 261.55 112.556 -14.193 17.5828 12.2711 PRESSAVG: 67200 -39.6487 1.45975 -20.1791 1.4597 17.4496 -24.158 -20.179 -24.1579 24.9592 GPRESSAVG: 67200 -41.1815 2.86673 -19.4639 0.826217 18.7624 -22.7082 -20.0856 -23.7293 25.6687 TIMING: 67200 CPU: 212.839, 0.00316797/step Wall: 212.839, 0.00316797/step, 4.34082 hours remaining, 222.339844 MB of memory in use. ENERGY: 67200 3922.6333 20550.2111 14557.0070 232.9720 -203540.8125 2705.8827 0.0000 0.0000 52103.7991 -109468.3074 299.4412 -161572.1065 -109111.3895 299.3738 75.7104 106.4600 760570.5817 0.9200 1.0832 PRESSURE: 67400 -233.908 97.8368 61.6441 97.8368 199.258 129.235 61.6451 129.235 434.335 GPRESSURE: 67400 -155.224 27.5602 103.59 88.3259 210.951 34.3664 167.543 109.586 438.619 PRESSAVG: 67400 -0.767316 -25.91 -31.6693 -25.91 -0.0713442 23.4064 -31.6693 23.4063 -13.7027 GPRESSAVG: 67400 -0.530813 -26.9815 -31.4082 -27.1023 0.0325158 22.4693 -31.1466 23.5787 -14.2596 TIMING: 67400 CPU: 213.474, 0.00317702/step Wall: 213.474, 0.00317702/step, 4.35305 hours remaining, 222.339844 MB of memory in use. ENERGY: 67400 3999.1874 20579.0758 14541.0585 237.5850 -203459.2369 2654.1241 0.0000 0.0000 52209.9157 -109238.2903 300.0511 -161448.2060 -108877.6667 299.6339 133.2285 164.7821 760156.7162 -4.8471 -4.9193 PRESSURE: 67600 -173.622 -3.70916 42.3259 -3.71019 -239.395 -355.604 42.3254 -355.603 31.2179 GPRESSURE: 67600 -95.5227 39.5655 26.0474 -94.9864 -170.123 -307.392 -66.8511 -322.117 -27.8048 PRESSAVG: 67600 -23.3375 -32.7216 6.46924 -32.7216 25.5541 -27.785 6.46917 -27.7849 -13.4604 GPRESSAVG: 67600 -23.3931 -29.9038 6.0842 -33.8593 26.1096 -29.3714 3.37754 -26.3796 -14.0989 TIMING: 67600 CPU: 214.114, 0.00320044/step Wall: 214.114, 0.00320044/step, 4.38496 hours remaining, 222.339844 MB of memory in use. ENERGY: 67600 3956.5764 20586.1826 14450.3299 248.5974 -203063.9935 2381.4216 0.0000 0.0000 52019.5612 -109421.3244 298.9571 -161440.8856 -109053.0312 300.1256 -127.2664 -97.8170 761088.9387 -3.7479 -3.7941 PRESSURE: 67800 -244.374 -7.8701 -196.882 -7.86997 -116.545 -208.753 -196.882 -208.754 -503.084 GPRESSURE: 67800 -274.576 -17.3305 -238.81 32.4657 -96.2208 -114.894 -170.944 -97.6951 -404.664 PRESSAVG: 67800 -53.5508 -1.85492 -27.324 -1.85487 -44.042 29.0932 -27.3239 29.0932 16.605 GPRESSAVG: 67800 -53.8813 -4.6815 -26.5504 0.502998 -45.1813 29.5699 -24.4186 29.6748 17.995 TIMING: 67800 CPU: 214.753, 0.00319303/step Wall: 214.753, 0.00319303/step, 4.37463 hours remaining, 222.339844 MB of memory in use. ENERGY: 67800 3978.3168 20514.4314 14502.4491 267.3776 -203023.6467 2422.3038 0.0000 0.0000 52051.3372 -109287.4308 299.1398 -161338.7680 -108930.6741 299.2506 -288.0009 -258.4868 761894.6713 -26.9959 -27.0225 PRESSURE: 68000 -45.9983 -57.3126 -33.8358 -57.3128 -69.591 -10.9016 -33.8358 -10.9 -217.696 GPRESSURE: 68000 -55.1346 34.2238 -78.8325 -21.6097 -39.8244 -7.25359 7.38137 -86.0275 -155.529 PRESSAVG: 68000 -58.6998 -60.7487 -5.50855 -60.7486 6.62003 -16.114 -5.50852 -16.114 18.0696 GPRESSAVG: 68000 -57.6735 -60.1919 -5.0071 -62.7733 7.00649 -15.3235 -7.16475 -17.171 16.3258 TIMING: 68000 CPU: 215.387, 0.00317027/step Wall: 215.387, 0.00317027/step, 4.34327 hours remaining, 222.339844 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: 68000 4088.4548 20502.1898 14449.5813 246.3289 -203092.7387 2356.2777 0.0000 0.0000 52213.1887 -109236.7174 300.0699 -161449.9061 -108878.8504 299.7353 -111.0952 -83.4961 759599.5906 -11.3367 -11.4471 PRESSURE: 68200 -155.99 -56.7546 -104.887 -56.7548 -43.7878 89.8696 -104.886 89.8679 -10.4548 GPRESSURE: 68200 -73.3322 -84.0017 -207.463 -63.7563 -76.241 131.745 -98.7997 88.8135 9.73534 PRESSAVG: 68200 33.3821 -19.1535 -31.2889 -19.1535 12.4159 51.4887 -31.2889 51.4887 -9.34534 GPRESSAVG: 68200 32.5833 -19.3141 -33.8738 -15.7586 12.6096 51.2897 -30.8501 49.8653 -8.42324 TIMING: 68200 CPU: 216.021, 0.00317169/step Wall: 216.021, 0.00317169/step, 4.34504 hours remaining, 222.339844 MB of memory in use. ENERGY: 68200 4057.4949 20670.6784 14447.8188 242.4934 -203359.9163 2651.8596 0.0000 0.0000 52142.4548 -109147.1164 299.6634 -161289.5712 -108786.5209 300.1610 -70.0774 -46.6126 761488.0706 12.1509 12.2566 LDB: ============= START OF LOAD BALANCING ============== 228.444 LDB: ============== END OF LOAD BALANCING =============== 228.445 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 228.446 LDB: ============= START OF LOAD BALANCING ============== 228.762 LDB: Largest compute 7033 load 0.035301 is 18.1% of average load 0.194521 LDB: Average compute 0.004398 is 2.3% of average load 0.194521 LDB: TIME 228.766 LOAD: AVG 0.194521 MAX 0.212389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.422 MB LDB: TIME 228.766 LOAD: AVG 0.194521 MAX 0.212389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.422 MB LDB: TIME 228.766 LOAD: AVG 0.194521 MAX 0.212389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.422 MB LDB: ============== END OF LOAD BALANCING =============== 228.769 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 228.773 PRESSURE: 68400 -436.613 99.5664 -126.673 99.5663 72.0749 -48.5203 -126.672 -48.521 -167.346 GPRESSURE: 68400 -369.774 100.98 14.4703 83.8728 -44.5906 -26.1919 -72.3448 11.5045 -35.3166 PRESSAVG: 68400 -21.8686 -39.0499 -12.4153 -39.0499 37.8755 15.4846 -12.4153 15.4847 -5.68853 GPRESSAVG: 68400 -22.6381 -36.723 -12.3788 -43.9398 38.2685 14.6669 -11.1766 17.0471 -5.84584 TIMING: 68400 CPU: 216.667, 0.00322939/step Wall: 216.667, 0.00322939/step, 4.42391 hours remaining, 219.484375 MB of memory in use. ENERGY: 68400 4032.1767 20619.5890 14486.8801 251.2472 -203022.2573 2266.1443 0.0000 0.0000 51975.5480 -109390.6719 298.7042 -161366.2199 -109031.4204 300.2557 -177.2949 -149.8939 761927.7527 3.4395 3.2615 PRESSURE: 68600 -107.804 -68.1891 208.435 -68.1899 178.368 -17.0962 208.435 -17.0967 -491.178 GPRESSURE: 68600 -69.9969 12.0916 232.583 -147.923 135.634 -14.4266 62.8094 -0.64726 -409.948 PRESSAVG: 68600 -17.698 -37.6617 18.1349 -37.6617 53.7658 -20.7479 18.1349 -20.748 5.70078 GPRESSAVG: 68600 -16.4161 -40.1854 17.7795 -34.0638 53.2026 -20.1367 18.5593 -21.5673 5.33174 TIMING: 68600 CPU: 217.303, 0.00318102/step Wall: 217.303, 0.00318102/step, 4.35746 hours remaining, 219.746094 MB of memory in use. ENERGY: 68600 4009.2782 20643.7531 14424.4371 230.1088 -202872.2165 1946.3311 0.0000 0.0000 52112.6139 -109505.6943 299.4919 -161618.3082 -109140.0759 300.0144 -140.2045 -114.7703 759848.2541 13.9229 14.0394 PRESSURE: 68800 162.417 -37.4831 -8.45989 -37.4825 -77.5496 -242.615 -8.45932 -242.615 111.658 GPRESSURE: 68800 179.873 34.5586 -24.4433 -5.40638 -29.1314 -179.763 -58.4783 -114.069 136.538 PRESSAVG: 68800 -32.0905 -34.9743 1.85272 -34.9744 60.5162 11.3256 1.8528 11.3256 -1.34326 GPRESSAVG: 68800 -32.0798 -34.6802 3.18954 -35.5813 60.5762 11.4555 3.40859 11.6393 -1.21889 TIMING: 68800 CPU: 217.942, 0.00319397/step Wall: 217.942, 0.00319397/step, 4.37503 hours remaining, 219.746094 MB of memory in use. ENERGY: 68800 4012.4705 20615.1874 14379.4019 243.4315 -203365.6479 2580.8857 0.0000 0.0000 52312.5346 -109221.7362 300.6409 -161534.2708 -108861.9516 299.6519 65.5084 95.7600 760774.3945 9.0275 9.0925 PRESSURE: 69000 156.034 -4.36666 24.6126 -4.36781 -49.3895 62.6259 24.6123 62.625 86.3495 GPRESSURE: 69000 149.4 67.0772 7.75509 -119.357 51.4622 57.9813 45.0117 58.1017 85.6984 PRESSAVG: 69000 13.3723 -57.2216 8.89002 -57.2216 5.67042 -25.5242 8.89002 -25.5243 -9.06321 GPRESSAVG: 69000 11.5417 -55.7182 9.5972 -56.3117 6.79261 -25.3863 8.36958 -24.3706 -8.38172 TIMING: 69000 CPU: 218.574, 0.00315907/step Wall: 218.574, 0.00315907/step, 4.32705 hours remaining, 219.757812 MB of memory in use. ENERGY: 69000 3994.8236 20601.4844 14442.2244 225.5766 -203387.0412 2545.5576 0.0000 0.0000 52233.4800 -109343.8946 300.1865 -161577.3747 -108976.6931 300.0469 64.3314 95.5203 760843.6632 3.3265 3.3175 PRESSURE: 69200 -42.4655 212.508 56.9563 212.507 -276.771 67.3896 56.9562 67.3902 -277.735 GPRESSURE: 69200 -134.821 221.213 77.9994 123.935 -162.256 17.5463 86.2522 68.0318 -220.565 PRESSAVG: 69200 -36.988 37.3284 -2.65938 37.3284 50.6636 3.60126 -2.65936 3.60124 3.33276 GPRESSAVG: 69200 -35.8713 35.5124 -2.896 37.1865 50.631 2.81404 -2.8237 2.59433 2.69652 TIMING: 69200 CPU: 219.202, 0.00313957/step Wall: 219.202, 0.00313957/step, 4.30017 hours remaining, 219.757812 MB of memory in use. ENERGY: 69200 4033.6507 20472.7685 14492.9764 232.4034 -203214.9909 2284.2504 0.0000 0.0000 52245.1878 -109453.7538 300.2538 -161698.9415 -109078.7159 299.6685 -198.9905 -172.5476 761447.6880 5.6695 5.8187 PRESSURE: 69400 -372.792 -43.5228 -165.067 -43.5223 -97.154 -123.21 -165.067 -123.209 -64.2844 GPRESSURE: 69400 -305.86 -153.326 -151.738 -86.5784 -129.086 -175.854 -227.875 53.5817 -13.378 PRESSAVG: 69400 -58.4036 29.283 -53.6124 29.283 12.8253 -50.2284 -53.6124 -50.2284 4.90289 GPRESSAVG: 69400 -55.8915 27.5243 -54.1229 28.8614 10.9994 -49.9221 -54.7958 -49.2783 4.45921 TIMING: 69400 CPU: 219.833, 0.00315257/step Wall: 219.833, 0.00315257/step, 4.31779 hours remaining, 219.757812 MB of memory in use. ENERGY: 69400 4021.5563 20367.9008 14400.8188 254.3882 -202809.8889 2173.0629 0.0000 0.0000 52141.0092 -109451.1527 299.6551 -161592.1619 -109086.3530 299.8011 -178.0768 -149.4415 763204.2805 -13.5585 -13.4776 PRESSURE: 69600 -147.697 138.226 -72.6216 138.226 29.9783 -283.736 -72.6223 -283.736 9.32656 GPRESSURE: 69600 -140.77 113.158 -100.449 220.824 156.566 -236.356 -99.0909 -258.55 -29.8662 PRESSAVG: 69600 -39.8027 -10.6798 -19.99 -10.6797 53.0573 -6.52779 -19.9899 -6.52774 -3.75992 GPRESSAVG: 69600 -41.2618 -9.29093 -17.4598 -9.85082 53.5942 -5.66991 -20.6902 -8.66964 -2.36983 TIMING: 69600 CPU: 220.463, 0.00315357/step Wall: 220.463, 0.00315357/step, 4.31899 hours remaining, 219.757812 MB of memory in use. ENERGY: 69600 3906.0883 20460.9264 14461.1057 229.3363 -203441.3533 2477.9490 0.0000 0.0000 52255.2043 -109650.7435 300.3114 -161905.9478 -109292.6162 299.2791 -36.1309 -4.6900 762048.7665 3.1649 3.3208 PRESSURE: 69800 -106.347 -39.8775 -68.4917 -39.8784 -57.2923 177.946 -68.4913 177.945 334.549 GPRESSURE: 69800 -61.7293 3.50405 -159.435 -0.856098 4.54946 166.611 14.3993 80.8606 320.328 PRESSAVG: 69800 -33.7584 11.2427 -26.4248 11.2426 24.7297 -54.8991 -26.4249 -54.8991 -1.25457 GPRESSAVG: 69800 -33.8303 12.2158 -26.5507 11.8026 25.9854 -54.7135 -24.6145 -55.0507 -2.09778 TIMING: 69800 CPU: 221.098, 0.00317579/step Wall: 221.098, 0.00317579/step, 4.34925 hours remaining, 219.757812 MB of memory in use. ENERGY: 69800 3952.6729 20741.6245 14383.9060 245.0226 -203496.2690 2629.9107 0.0000 0.0000 51999.4544 -109543.6780 298.8416 -161543.1323 -109188.8494 298.9608 56.9697 87.7161 761786.2946 -3.4278 -3.3142 PRESSURE: 70000 -132.204 227.839 -44.9869 227.838 -83.1207 -2.13613 -44.9857 -2.13736 -266.311 GPRESSURE: 70000 -116.267 186.245 -37.8367 305.591 24.5628 14.0358 -59.3419 -149.801 -305.9 PRESSAVG: 70000 -27.7961 43.6106 7.45812 43.6106 23.7454 -17.606 7.45807 -17.6061 5.37185 GPRESSAVG: 70000 -28.4625 46.6362 4.68109 43.2969 25.8291 -18.8196 7.38503 -16.5332 4.24699 TIMING: 70000 CPU: 221.735, 0.00318179/step Wall: 221.735, 0.00318179/step, 4.35728 hours remaining, 219.757812 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: 70000 4011.8937 20541.4408 14400.9345 231.1051 -203544.3069 2635.5432 0.0000 0.0000 52290.3177 -109433.0718 300.5132 -161723.3895 -109067.5156 299.9944 -160.5455 -132.5350 760476.7818 0.4404 0.5379 PRESSURE: 70200 66.5114 -193.074 19.1475 -193.073 -275.391 37.4775 19.1481 37.4787 -92.168 GPRESSURE: 70200 149.454 -281.9 65.0918 -255.155 -203.834 44.1005 123.283 -178.628 -158.65 PRESSAVG: 70200 -35.4736 -10.1527 25.2751 -10.1527 47.1133 -18.0719 25.2752 -18.072 -12.2405 GPRESSAVG: 70200 -33.7815 -11.2893 27.7713 -10.0967 43.8738 -16.7747 23.8351 -19.1598 -10.9815 TIMING: 70200 CPU: 222.368, 0.00316698/step Wall: 222.368, 0.00316698/step, 4.33683 hours remaining, 219.757812 MB of memory in use. ENERGY: 70200 3995.0562 20292.9119 14406.4050 250.9632 -203284.4033 2486.6957 0.0000 0.0000 52200.7426 -109651.6287 299.9984 -161852.3713 -109283.4485 299.3852 -100.3493 -71.0099 760413.3197 -0.2003 -0.2964 PRESSURE: 70400 -271.049 -120.5 115.595 -120.5 27.6285 -15.7013 115.595 -15.7016 45.756 GPRESSURE: 70400 -170.387 -60.7142 116.717 -78.926 49.5073 -79.1808 -57.9105 36.1541 2.88563 PRESSAVG: 70400 -37.4977 -6.13147 43.8851 -6.13148 76.8669 -15.1406 43.8851 -15.1407 -2.4782 GPRESSAVG: 70400 -38.9672 -6.50518 41.1032 -7.15018 77.9624 -16.8233 44.768 -13.6316 -2.6892 TIMING: 70400 CPU: 223.005, 0.0031825/step Wall: 223.005, 0.0031825/step, 4.3579 hours remaining, 219.757812 MB of memory in use. ENERGY: 70400 4037.5967 20494.2910 14467.1865 240.9763 -203400.5300 2410.9783 0.0000 0.0000 51993.1348 -109756.3664 298.8053 -161749.5013 -109402.9797 298.9162 -65.8881 -39.3313 759512.1146 12.2970 12.1020 PRESSURE: 70600 -337.925 8.15845 -305.421 8.15817 143.713 -10.067 -305.421 -10.0671 -275.72 GPRESSURE: 70600 -330.595 18.5892 -344.178 -23.9761 142.061 34.3635 -217.776 -67.236 -183.519 PRESSAVG: 70600 -28.3713 -26.3026 6.12897 -26.3026 95.6126 -29.5913 6.12904 -29.5913 -8.69403 GPRESSAVG: 70600 -27.3093 -29.1466 8.36267 -22.8744 94.5576 -29.2273 7.34273 -27.8741 -9.18754 TIMING: 70600 CPU: 223.637, 0.00316312/step Wall: 223.637, 0.00316312/step, 4.33119 hours remaining, 219.757812 MB of memory in use. ENERGY: 70600 4036.8590 20471.3876 14458.8833 231.7823 -203171.7810 2430.2568 0.0000 0.0000 51973.2623 -109569.3497 298.6911 -161542.6120 -109207.8348 299.0701 -156.6441 -124.0176 759624.4003 19.5157 19.3536 PRESSURE: 70800 -349.609 -170.319 78.203 -170.32 -296.699 -28.6713 78.2035 -28.6706 -58.1978 GPRESSURE: 70800 -440.237 -173.323 72.8933 -202.09 -206.346 51.1334 164.355 -107.873 -1.56948 PRESSAVG: 70800 -128.21 -12.6802 4.49411 -12.6802 76.9734 11.9199 4.49417 11.9199 32.8365 GPRESSAVG: 70800 -129.671 -10.485 5.01924 -13.9264 77.8325 13.3797 4.87179 8.2692 33.6898 TIMING: 70800 CPU: 224.267, 0.00314729/step Wall: 224.267, 0.00314729/step, 4.30935 hours remaining, 219.757812 MB of memory in use. ENERGY: 70800 4045.8365 20562.0162 14467.6508 271.3254 -203042.6404 2291.7868 0.0000 0.0000 51981.7449 -109422.2797 298.7398 -161404.0246 -109059.0422 299.3135 -234.8353 -216.0507 761582.4151 -6.1334 -6.0498 PRESSURE: 71000 -5.22825 -246.969 55.4414 -246.97 26.825 -16.2981 55.4421 -16.2976 49.3584 GPRESSURE: 71000 60.7396 -175.958 66.6333 -263.819 78.7294 15.392 -46.8879 18.4725 2.13712 PRESSAVG: 71000 -44.9966 -38.1468 2.73542 -38.1468 50.4838 13.5959 2.73545 13.5959 5.09634 GPRESSAVG: 71000 -43.0714 -39.5766 0.59388 -38.1242 50.8363 12.2604 1.88871 12.0819 3.70098 TIMING: 71000 CPU: 224.896, 0.00314791/step Wall: 224.896, 0.00314791/step, 4.31001 hours remaining, 219.757812 MB of memory in use. ENERGY: 71000 3909.9244 20465.3241 14408.3480 253.6011 -203019.6955 2411.6665 0.0000 0.0000 52078.0946 -109492.7368 299.2935 -161570.8313 -109120.1409 299.4647 23.6517 47.2020 762932.8800 3.5279 3.8220 PRESSURE: 71200 -137.417 142.58 78.5174 142.581 -189.728 52.449 78.5171 52.4489 36.2277 GPRESSURE: 71200 -152.848 92.8119 87.6849 146.648 -176.748 50.992 76.9444 -33.1137 139.48 PRESSAVG: 71200 -55.1237 -34.664 13.5273 -34.664 55.8984 32.9692 13.5273 32.9691 7.27285 GPRESSAVG: 71200 -55.3107 -32.1285 13.6748 -33.6939 56.5621 32.7042 12.4605 36.6838 7.25023 TIMING: 71200 CPU: 225.532, 0.00317822/step Wall: 225.532, 0.00317822/step, 4.35133 hours remaining, 219.757812 MB of memory in use. ENERGY: 71200 3959.7201 20444.2217 14403.5980 254.0935 -202754.8300 2208.8103 0.0000 0.0000 52065.7489 -109418.6376 299.2226 -161484.3865 -109043.9549 299.1500 -96.9724 -63.3719 762802.5111 2.6825 2.8339 PRESSURE: 71400 226.339 -119.684 45.4914 -119.684 -20.3654 101.533 45.4902 101.533 351.609 GPRESSURE: 71400 327.777 -81.4252 -14.1711 -102.715 -104.324 94.3363 86.3523 74.961 415.453 PRESSAVG: 71400 -64.7551 -16.1997 -13.3374 -16.1997 62.4722 -2.95094 -13.3375 -2.95097 -2.4894 GPRESSAVG: 71400 -65.974 -18.0299 -11.8969 -19.0399 61.9277 -2.42727 -14.9635 -3.29503 -0.8181 TIMING: 71400 CPU: 226.165, 0.00316655/step Wall: 226.165, 0.00316655/step, 4.33518 hours remaining, 219.757812 MB of memory in use. ENERGY: 71400 3989.4456 20597.8202 14437.8761 248.8869 -203217.1301 2400.6396 0.0000 0.0000 52272.5181 -109269.9435 300.4109 -161542.4616 -108908.1976 299.8485 185.8609 212.9687 761163.8284 -1.5907 -1.6215 PRESSURE: 71600 -195.591 -99.4421 -232.61 -99.4421 -175.325 -231.244 -232.61 -231.245 -25.4928 GPRESSURE: 71600 -172.125 -47.2086 -178.372 20.6633 -61.2729 -201.213 -133.899 -224.05 -72.2974 PRESSAVG: 71600 -62.9772 -19.7205 -27.8443 -19.7205 51.5347 -77.1923 -27.8443 -77.1924 -6.77658 GPRESSAVG: 71600 -61.912 -18.7502 -27.6173 -17.2536 52.5544 -77.8271 -25.2568 -78.3107 -8.52249 TIMING: 71600 CPU: 226.796, 0.00315223/step Wall: 226.796, 0.00315223/step, 4.3154 hours remaining, 219.757812 MB of memory in use. ENERGY: 71600 4010.5345 20584.4812 14487.5538 236.0626 -202676.0252 2088.4068 0.0000 0.0000 52072.7222 -109196.2641 299.2627 -161268.9863 -108834.9109 299.8320 -132.1362 -101.8983 763475.3675 -6.0730 -5.9600 PRESSURE: 71800 -231.197 -49.3225 13.8121 -49.3225 50.7702 31.0646 13.8113 31.065 323.036 GPRESSURE: 71800 -84.472 -177.228 43.6846 -126.86 23.9448 -28.5488 71.2326 149.972 307.73 PRESSAVG: 71800 -24.2913 0.971744 -9.77762 0.971717 36.454 -43.6789 -9.77762 -43.6789 3.87048 GPRESSAVG: 71800 -23.9919 1.23968 -11.4783 -0.367934 35.1589 -42.3601 -9.74689 -42.8536 4.45162 TIMING: 71800 CPU: 227.421, 0.00312658/step Wall: 227.421, 0.00312658/step, 4.28011 hours remaining, 219.757812 MB of memory in use. ENERGY: 71800 3973.3949 20588.3981 14459.3261 232.8684 -203209.7472 2273.4583 0.0000 0.0000 52304.4969 -109377.8045 300.5947 -161682.3014 -109016.7653 299.8871 47.5367 82.4009 762975.2429 5.3444 5.2062 PRESSURE: 72000 35.6428 -141.297 -0.872259 -141.296 169.618 -134.102 -0.871945 -134.101 14.9486 GPRESSURE: 72000 -29.1435 -255.544 -79.4129 -88.2864 299.092 -153.956 2.53349 -34.2434 40.5629 PRESSAVG: 72000 -7.35907 -30.8144 -12.8695 -30.8144 34.7438 -7.78531 -12.8695 -7.78536 16.7571 GPRESSAVG: 72000 -7.75867 -31.7068 -11.4165 -31.3088 35.8844 -7.10899 -13.6274 -8.35344 16.3279 TIMING: 72000 CPU: 228.052, 0.00315371/step Wall: 228.052, 0.00315371/step, 4.31708 hours remaining, 219.812500 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: 72000 4070.2544 20609.4806 14404.5849 248.4686 -203503.5444 2561.9596 0.0000 0.0000 52172.9120 -109435.8843 299.8384 -161608.7964 -109084.8541 300.0010 73.4030 103.5039 761348.0955 14.7139 14.8179 PRESSURE: 72200 -177.68 -40.1938 75.3342 -40.1935 -442.726 -192.255 75.3343 -192.256 -127.1 GPRESSURE: 72200 -189.415 -4.31051 -12.764 14.193 -395.187 -135.954 15.9941 -201.98 -71.4903 PRESSAVG: 72200 -12.35 -80.4822 -26.3859 -80.4822 10.655 -48.2547 -26.3859 -48.2547 -0.94521 GPRESSAVG: 72200 -11.9317 -80.745 -26.4098 -79.1318 10.1613 -49.1417 -25.2661 -47.9602 -0.447019 TIMING: 72200 CPU: 228.679, 0.00313743/step Wall: 228.679, 0.00313743/step, 4.29461 hours remaining, 219.820312 MB of memory in use. ENERGY: 72200 4014.0763 20647.1659 14452.7218 231.5299 -203780.2361 2799.3480 0.0000 0.0000 52331.5382 -109303.8558 300.7501 -161635.3940 -108940.4788 299.5702 -249.1685 -218.6974 762516.5473 -0.8801 -0.7392 LDB: ============= START OF LOAD BALANCING ============== 241.102 LDB: ============== END OF LOAD BALANCING =============== 241.102 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 241.103 LDB: ============= START OF LOAD BALANCING ============== 241.42 LDB: Largest compute 7044 load 0.033572 is 17.3% of average load 0.194541 LDB: Average compute 0.004390 is 2.3% of average load 0.194541 LDB: TIME 241.423 LOAD: AVG 0.194541 MAX 0.211539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.414 MB LDB: TIME 241.424 LOAD: AVG 0.194541 MAX 0.211539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.617 MB LDB: TIME 241.424 LOAD: AVG 0.194541 MAX 0.211539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.617 MB LDB: ============== END OF LOAD BALANCING =============== 241.426 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 241.431 PRESSURE: 72400 -83.7633 -60.7108 -45.5335 -60.7109 -162.156 180.004 -45.5334 180.003 354.217 GPRESSURE: 72400 -38.1181 -29.9427 10.5286 -66.0573 -133.623 192.52 29.6791 71.7603 398.466 PRESSAVG: 72400 37.1011 -16.8856 -12.8927 -16.8856 -19.3413 32.7017 -12.8927 32.7017 3.02235 GPRESSAVG: 72400 36.9939 -17.2673 -11.4677 -16.775 -18.8526 32.2755 -13.0355 32.1372 2.66677 TIMING: 72400 CPU: 229.325, 0.00322641/step Wall: 229.325, 0.00322641/step, 4.41624 hours remaining, 221.007812 MB of memory in use. ENERGY: 72400 4021.1841 20593.8156 14547.4872 221.4026 -203654.2903 2789.3913 0.0000 0.0000 52232.8571 -109248.1524 300.1829 -161481.0095 -108867.4342 300.1646 36.0993 75.5750 761732.9283 6.9274 6.9360 PRESSURE: 72600 -32.4893 99.5232 -22.2138 99.5238 42.8956 -71.6793 -22.2124 -71.678 -23.6375 GPRESSURE: 72600 -73.3973 60.5352 -51.9599 59.2438 117.303 -5.30121 -271.341 -7.16098 39.0918 PRESSAVG: 72600 21.2997 -17.9512 -32.8614 -17.9511 -3.5988 97.3466 -32.8615 97.3467 -10.7301 GPRESSAVG: 72600 21.2073 -17.8948 -35.0424 -16.5739 -3.21272 98.395 -31.435 97.8996 -11.0013 TIMING: 72600 CPU: 229.953, 0.00314297/step Wall: 229.953, 0.00314297/step, 4.30185 hours remaining, 221.414062 MB of memory in use. ENERGY: 72600 4011.8249 20548.0505 14478.6316 244.9030 -203632.2332 2629.0923 0.0000 0.0000 52237.7015 -109482.0295 300.2108 -161719.7309 -109114.2843 300.1436 -4.4104 27.6657 760908.2779 2.3236 2.3311 PRESSURE: 72800 247.589 -74.0831 -31.4682 -74.0831 203.683 22.6539 -31.4684 22.6536 157.515 GPRESSURE: 72800 288.463 -159.408 -9.40712 -105.432 257.522 -26.4222 -114.499 86.171 162.77 PRESSAVG: 72800 -2.54052 -25.6923 -17.0095 -25.6923 -28.4986 17.7367 -17.0095 17.7367 8.28064 GPRESSAVG: 72800 -1.8496 -25.1654 -17.5171 -26.6965 -29.8405 15.6355 -17.6459 17.8671 8.51591 TIMING: 72800 CPU: 230.585, 0.00316002/step Wall: 230.585, 0.00316002/step, 4.32502 hours remaining, 221.414062 MB of memory in use. ENERGY: 72800 4016.6183 20650.2676 14498.9960 235.5312 -203867.6569 2834.9160 0.0000 0.0000 52168.7460 -109462.5818 299.8145 -161631.3278 -109099.1306 299.9685 202.9286 236.2518 759940.1782 -7.5862 -7.7247 PRESSURE: 73000 -459.861 -282.251 140.441 -282.251 -141.874 88.4376 140.44 88.4381 -33.9158 GPRESSURE: 73000 -434.216 -158.183 126.003 -182.944 -90.0749 63.4438 75.4392 20.8755 -21.1367 PRESSAVG: 73000 -5.85817 -42.9364 -18.153 -42.9364 -4.53481 -8.97418 -18.153 -8.97419 -22.6264 GPRESSAVG: 73000 -5.59911 -43.5123 -16.4957 -43.8768 -4.30467 -7.55326 -18.4991 -10.0908 -22.8304 TIMING: 73000 CPU: 231.215, 0.0031514/step Wall: 231.215, 0.0031514/step, 4.31304 hours remaining, 221.414062 MB of memory in use. ENERGY: 73000 4010.6172 20631.9331 14463.2609 262.8307 -203729.2454 2665.4506 0.0000 0.0000 52327.7449 -109367.4080 300.7283 -161695.1529 -109002.9125 300.2158 -211.8839 -181.8092 761628.8133 -11.0065 -10.9114 PRESSURE: 73200 -188.745 152.802 17.6586 152.803 -231.809 -14.9713 17.6576 -14.9725 -110.09 GPRESSURE: 73200 -42.2585 124.471 -96.3735 95.7216 -242.295 -84.3345 42.9379 124.011 -152.073 PRESSAVG: 73200 -5.20867 -6.98578 2.9807 -6.98584 10.7147 17.0438 2.98065 17.0438 -3.86158 GPRESSAVG: 73200 -5.41078 -3.99062 1.56827 -7.84724 11.5498 18.2541 3.43341 17.3671 -4.05848 TIMING: 73200 CPU: 231.847, 0.00315772/step Wall: 231.847, 0.00315772/step, 4.32152 hours remaining, 221.414062 MB of memory in use. ENERGY: 73200 4071.8439 20645.0804 14477.0459 243.4452 -203549.5228 2452.5084 0.0000 0.0000 52223.7258 -109435.8733 300.1305 -161659.5990 -109068.4946 300.0172 -176.8813 -145.5419 762162.3467 0.5482 0.6935 PRESSURE: 73400 -127.506 -74.6269 -208.429 -74.6268 202.998 -242.717 -208.429 -242.716 -81.703 GPRESSURE: 73400 -162.749 54.6814 -189.62 -47.1026 289.172 -181.001 -278.254 -188.134 -40.8373 PRESSAVG: 73400 30.2089 8.12985 85.4817 8.12985 -5.35233 26.2944 85.4818 26.2944 -26.5826 GPRESSAVG: 73400 28.0336 7.1434 84.91 9.3244 -3.99839 26.9607 84.1551 27.6953 -26.5685 TIMING: 73400 CPU: 232.48, 0.00316332/step Wall: 232.48, 0.00316332/step, 4.329 hours remaining, 221.414062 MB of memory in use. ENERGY: 73400 3968.3593 20590.0990 14505.3545 239.5909 -203701.4100 2796.8836 0.0000 0.0000 52048.3272 -109552.7956 299.1225 -161601.1228 -109186.0593 299.7334 -2.0703 28.5287 760403.5610 -0.5753 -0.8444 PRESSURE: 73600 -304.314 -178.247 -14.5638 -178.246 -196.823 181.181 -14.5637 181.182 -366.067 GPRESSURE: 73600 -246.262 -57.1989 45.4336 -273.206 -205.563 72.2221 -200.783 132.173 -330.378 PRESSAVG: 73600 9.08443 -13.879 -13.6606 -13.879 0.465835 43.5348 -13.6606 43.5348 1.71269 GPRESSAVG: 73600 10.238 -14.8477 -12.8739 -12.6572 -0.446928 40.9655 -14.4789 43.6339 1.15753 TIMING: 73600 CPU: 233.114, 0.00317125/step Wall: 233.114, 0.00317125/step, 4.33968 hours remaining, 221.414062 MB of memory in use. ENERGY: 73600 4005.3385 20601.3816 14441.2081 262.6070 -203686.9467 2462.0728 0.0000 0.0000 52213.0646 -109701.2740 300.0692 -161914.3387 -109338.3862 299.3269 -289.0680 -260.7344 760719.4412 3.7543 3.6495 PRESSURE: 73800 -4.26022 94.7419 -253.983 94.7424 261.908 -260.957 -253.983 -260.957 -264.175 GPRESSURE: 73800 31.9908 0.0843592 -264.35 34.3586 222.072 -354.56 -299.083 -91.1265 -159.368 PRESSAVG: 73800 3.98808 -28.126 -47.7779 -28.1261 29.1598 4.02748 -47.7779 4.02748 -4.08967 GPRESSAVG: 73800 5.74304 -29.9469 -47.9258 -28.81 26.3447 5.03909 -45.6341 3.36965 -3.32694 TIMING: 73800 CPU: 233.744, 0.00314837/step Wall: 233.744, 0.00314837/step, 4.30819 hours remaining, 221.414062 MB of memory in use. ENERGY: 73800 3983.5851 20703.7336 14412.2254 235.0989 -203875.2373 2747.2021 0.0000 0.0000 52267.7337 -109525.6585 300.3834 -161793.3922 -109172.2757 299.4074 -2.1757 31.5650 759607.6107 9.6861 9.5869 PRESSURE: 74000 219.603 -50.0034 -121.932 -50.0041 -249.213 106.038 -121.933 106.039 108.305 GPRESSURE: 74000 187.982 -8.82744 -129.411 31.5792 -116.243 211.267 -116.769 95.8754 81.9827 PRESSAVG: 74000 -41.3046 -54.4534 -14.5374 -54.4535 46.6209 -25.5973 -14.5374 -25.5974 4.83685 GPRESSAVG: 74000 -43.2699 -53.4824 -13.9303 -54.042 47.2985 -27.0759 -14.7457 -24.7612 6.32776 TIMING: 74000 CPU: 234.377, 0.00316763/step Wall: 234.377, 0.00316763/step, 4.33437 hours remaining, 221.414062 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: 74000 3989.4986 20527.0835 14438.9719 259.8288 -203785.0747 2676.9274 0.0000 0.0000 52046.1604 -109846.6041 299.1100 -161892.7645 -109485.2682 299.0080 26.2316 51.2405 759276.7952 3.3844 3.4521 PRESSURE: 74200 -239.827 -25.2237 165.661 -25.2236 -371.636 -150.614 165.66 -150.613 -290.146 GPRESSURE: 74200 -208.388 -63.1694 120.191 -0.284971 -294.309 -34.7736 15.1402 -220.394 -319.205 PRESSAVG: 74200 33.3837 0.996836 29.4355 0.996807 -3.07289 25.9461 29.4355 25.9462 -16.1001 GPRESSAVG: 74200 33.1447 1.48352 29.0642 1.38156 -2.31161 27.4891 28.9157 24.5174 -16.8595 TIMING: 74200 CPU: 235.02, 0.00321363/step Wall: 235.02, 0.00321363/step, 4.39714 hours remaining, 221.414062 MB of memory in use. ENERGY: 74200 4024.2380 20611.6400 14492.9688 256.0238 -203776.1298 2665.6054 0.0000 0.0000 51942.0397 -109783.6142 298.5116 -161725.6539 -109417.2402 299.0726 -300.5362 -273.9674 759761.1683 4.7369 4.6579 PRESSURE: 74400 22.276 92.7753 11.9553 92.7755 228.106 -41.1935 11.9552 -41.1928 5.58501 GPRESSURE: 74400 12.9408 76.5111 110.707 12.3125 182.012 -86.1938 61.5993 -204.755 119.324 PRESSAVG: 74400 9.16329 -29.7746 0.601376 -29.7746 -12.5835 -38.9854 0.601336 -38.9854 10.9639 GPRESSAVG: 74400 9.38466 -29.6366 1.83018 -30.8345 -12.1386 -40.736 0.595288 -37.9025 10.3271 TIMING: 74400 CPU: 235.655, 0.00317609/step Wall: 235.655, 0.00317609/step, 4.3456 hours remaining, 221.414062 MB of memory in use. ENERGY: 74400 4044.2238 20552.0803 14410.1631 260.1270 -203987.2683 2695.6072 0.0000 0.0000 52246.8063 -109778.2606 300.2631 -162025.0668 -109417.8431 299.4073 85.3225 104.7587 759957.5406 2.5145 2.5244 PRESSURE: 74600 173.673 -9.26428 -256.13 -9.26444 -222.144 -107.249 -256.131 -107.249 189.739 GPRESSURE: 74600 155.993 -60.984 -179.689 -93.2958 -99.8306 -116.562 -204.774 -106.546 169.656 PRESSAVG: 74600 -27.1359 -22.3063 46.8776 -22.3063 55.3716 -18.1485 46.8776 -18.1485 -9.77147 GPRESSAVG: 74600 -27.9324 -20.5234 45.9637 -22.8713 55.5837 -16.6286 48.0195 -16.815 -9.15351 TIMING: 74600 CPU: 236.288, 0.00316653/step Wall: 236.288, 0.00316653/step, 4.33235 hours remaining, 221.414062 MB of memory in use. ENERGY: 74600 4009.3377 20462.0015 14442.5205 229.3084 -203449.2808 2535.1549 0.0000 0.0000 52034.7126 -109736.2453 299.0442 -161770.9578 -109369.0662 299.2369 47.0894 75.2727 760452.5485 6.1547 6.1659 PRESSURE: 74800 -12.6786 178.852 -38.5184 178.852 -57.5568 8.53837 -38.5189 8.53854 -94.5234 GPRESSURE: 74800 -57.4483 167.616 -69.7672 135.618 42.2114 -48.3463 -52.2499 26.1711 -73.63 PRESSAVG: 74800 -7.44573 -44.2742 26.6429 -44.2741 17.5314 2.67709 26.6429 2.67706 -13.3935 GPRESSAVG: 74800 -6.47949 -45.2783 26.8153 -41.6087 16.9779 2.43503 25.5502 0.935421 -13.4894 TIMING: 74800 CPU: 236.921, 0.00316124/step Wall: 236.921, 0.00316124/step, 4.32493 hours remaining, 221.414062 MB of memory in use. ENERGY: 74800 3942.7499 20476.2432 14389.1303 251.8220 -203181.2032 2231.4189 0.0000 0.0000 52003.4206 -109886.4183 298.8644 -161889.8389 -109525.2336 298.8029 -54.9196 -29.6223 762680.8361 -1.1026 -0.9970 PRESSURE: 75000 -249.523 132.002 36.5557 132.003 -231.16 -0.86656 36.5567 -0.865449 503.817 GPRESSURE: 75000 -151.833 83.1934 -10.2097 105.771 -174.415 -31.2245 46.3016 101.617 436.165 PRESSAVG: 75000 -19.4752 12.7077 20.8837 12.7077 14.8337 12.607 20.8838 12.607 16.2053 GPRESSAVG: 75000 -19.6362 10.3186 20.7994 11.128 15.2655 12.0164 22.1812 14.5641 15.9177 TIMING: 75000 CPU: 237.562, 0.00320611/step Wall: 237.562, 0.00320611/step, 4.38613 hours remaining, 221.414062 MB of memory in use. ENERGY: 75000 3973.4860 20454.6745 14435.4598 246.5772 -203613.7949 2659.6510 0.0000 0.0000 52004.3866 -109839.5598 298.8699 -161843.9464 -109480.9889 298.5743 7.7114 36.6389 760928.5421 3.8546 3.8490 PRESSURE: 75200 94.9201 -15.2379 -38.6255 -15.2387 221.381 16.1652 -38.6261 16.1656 -143.623 GPRESSURE: 75200 133.629 18.1079 6.13645 -177.523 296.808 46.4083 -122.03 -69.1764 -173.109 PRESSAVG: 75200 -5.43114 -81.3581 34.3107 -81.3581 47.3765 -11.7726 34.3107 -11.7726 -3.33196 GPRESSAVG: 75200 -6.00931 -80.845 34.0997 -83.482 46.5161 -10.9351 31.5153 -14.1574 -2.17037 TIMING: 75200 CPU: 238.2, 0.00318997/step Wall: 238.2, 0.00318997/step, 4.36388 hours remaining, 221.414062 MB of memory in use. ENERGY: 75200 4023.5043 20508.8693 14410.3287 241.3476 -203542.7608 2677.6651 0.0000 0.0000 51778.2018 -109902.8440 297.5700 -161681.0458 -109551.2538 298.7322 57.5593 85.7762 760934.8347 12.8711 12.7788 PRESSURE: 75400 -332.037 -91.851 30.0694 -91.851 -233.068 -130.558 30.0692 -130.56 -389.477 GPRESSURE: 75400 -320.148 -60.3415 60.7158 -64.6287 -174.505 -147.52 -27.483 -192.61 -365.211 PRESSAVG: 75400 -58.7552 -29.7216 -3.8369 -29.7215 84.0106 -43.6425 -3.83694 -43.6425 -2.30491 GPRESSAVG: 75400 -57.9592 -30.0081 -4.4401 -26.2579 85.2717 -44.7863 -0.757329 -42.559 -4.49912 TIMING: 75400 CPU: 238.835, 0.00317826/step Wall: 238.835, 0.00317826/step, 4.34768 hours remaining, 221.414062 MB of memory in use. ENERGY: 75400 3997.0579 20312.9680 14421.8283 245.5855 -203352.9524 2498.1782 0.0000 0.0000 51851.0328 -110026.3016 297.9886 -161877.3344 -109653.9202 298.1180 -318.1936 -286.6213 762140.5641 7.6501 7.6045 PRESSURE: 75600 -139.487 56.9064 -177.64 56.9063 37.3901 11.3838 -177.64 11.3847 37.9492 GPRESSURE: 75600 -108.57 130.316 -150.39 5.7676 88.9864 59.8878 -22.958 68.5313 60.6628 PRESSAVG: 75600 -33.2099 -48.5646 -17.975 -48.5646 12.0751 -21.2658 -17.9749 -21.2658 -12.5261 GPRESSAVG: 75600 -32.578 -48.7167 -16.7804 -47.8459 11.7605 -19.5925 -20.332 -21.2606 -11.7712 TIMING: 75600 CPU: 239.47, 0.00317318/step Wall: 239.47, 0.00317318/step, 4.34056 hours remaining, 221.414062 MB of memory in use. ENERGY: 75600 3953.9517 20803.6676 14505.1390 242.7010 -204280.2742 2911.1396 0.0000 0.0000 51837.3205 -110026.3547 297.9098 -161863.6752 -109668.5151 298.2330 -21.3825 13.6931 760389.4574 -11.2203 -10.8629 PRESSURE: 75800 -276.461 221.971 -238.006 221.971 286.963 -284.676 -238.005 -284.675 -7.49085 GPRESSURE: 75800 -246.802 323.981 -253.809 252.851 336.283 -254.318 -181.192 -218.12 14.0627 PRESSAVG: 75800 -73.3355 -34.3821 -5.09546 -34.382 54.6469 -47.5082 -5.09547 -47.5082 -19.4361 GPRESSAVG: 75800 -73.1541 -32.045 -7.31966 -35.4202 54.1515 -46.9985 -2.74385 -48.5574 -19.3979 TIMING: 75800 CPU: 240.105, 0.00317356/step Wall: 240.105, 0.00317356/step, 4.3409 hours remaining, 221.414062 MB of memory in use. ENERGY: 75800 3997.8560 20522.2778 14490.0912 249.1690 -203660.0202 2633.4517 0.0000 0.0000 51968.1060 -109799.0685 298.6614 -161767.1746 -109429.9310 298.6319 1.0040 34.5146 761357.9916 -12.7082 -12.8002 PRESSURE: 76000 -8.80156 -89.3686 159.877 -89.3688 42.7263 -155.068 159.877 -155.068 157.628 GPRESSURE: 76000 -6.61007 -101.81 95.8081 -140.869 76.1581 -42.6278 101.197 16.2927 195.503 PRESSAVG: 76000 -96.3866 -35.1469 -6.57037 -35.1469 54.2261 -31.3808 -6.57037 -31.3808 12.0147 GPRESSAVG: 76000 -96.4165 -35.5236 -5.31545 -35.2499 53.9516 -30.8757 -8.38771 -30.3238 11.868 TIMING: 76000 CPU: 240.742, 0.00318387/step Wall: 240.742, 0.00318387/step, 4.35482 hours remaining, 221.414062 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: 76000 3923.9233 20496.3519 14445.6300 249.7440 -203818.6619 2646.1299 0.0000 0.0000 52157.5881 -109899.2947 299.7504 -162056.8827 -109532.2059 298.6706 63.8509 88.3504 760664.1969 -10.0486 -10.1990 PRESSURE: 76200 -35.8943 82.5182 160.428 82.5185 163.686 -15.3805 160.428 -15.3812 235.258 GPRESSURE: 76200 21.2757 134.637 65.5938 -30.0594 235.846 -49.1919 106.845 21.2737 167.707 PRESSAVG: 76200 -23.6592 -55.2948 -39.2441 -55.2949 50.7292 -38.8715 -39.2441 -38.8715 -8.5979 GPRESSAVG: 76200 -23.477 -55.9279 -39.499 -54.2163 52.4691 -41.495 -38.2339 -36.9383 -10.3829 TIMING: 76200 CPU: 241.376, 0.00316977/step Wall: 241.376, 0.00316977/step, 4.33537 hours remaining, 221.414062 MB of memory in use. ENERGY: 76200 4077.9639 20612.0022 14521.0260 238.8558 -203883.7752 2619.0780 0.0000 0.0000 51861.8190 -109953.0302 298.0506 -161814.8492 -109592.1382 298.9111 121.0166 141.6098 761902.5053 6.1574 6.2031 LDB: ============= START OF LOAD BALANCING ============== 253.802 LDB: ============== END OF LOAD BALANCING =============== 253.802 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 253.803 LDB: ============= START OF LOAD BALANCING ============== 254.126 LDB: Largest compute 7033 load 0.035967 is 18.5% of average load 0.194609 LDB: Average compute 0.004406 is 2.3% of average load 0.194609 LDB: TIME 254.13 LOAD: AVG 0.194609 MAX 0.212045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.656 MB LDB: TIME 254.131 LOAD: AVG 0.194609 MAX 0.212045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.766 MB LDB: TIME 254.131 LOAD: AVG 0.194609 MAX 0.212045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.766 MB LDB: ============== END OF LOAD BALANCING =============== 254.133 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 254.138 PRESSURE: 76400 -1.07335 -130.269 -19.1104 -130.27 14.1501 134.319 -19.1109 134.32 -92.5699 GPRESSURE: 76400 62.1064 8.52753 21.0595 -101.87 58.4914 83.1115 -69.5922 47.4359 -105.672 PRESSAVG: 76400 -25.7002 -35.2684 -15.9326 -35.2684 31.809 -13.7468 -15.9326 -13.7468 11.5642 GPRESSAVG: 76400 -26.7086 -34.8757 -14.5809 -36.092 32.4214 -12.748 -16.2312 -14.524 12.221 TIMING: 76400 CPU: 242.032, 0.00328061/step Wall: 242.032, 0.00328061/step, 4.48678 hours remaining, 221.902344 MB of memory in use. ENERGY: 76400 4037.9006 20451.2689 14432.4713 243.9124 -203334.0313 2487.1807 0.0000 0.0000 51997.0627 -109684.2346 298.8278 -161681.2973 -109323.8817 299.1337 -26.4977 4.9753 762337.9624 5.8910 5.9779 PRESSURE: 76600 -156.046 -42.1522 -12.7205 -42.1522 -84.127 -87.5061 -12.72 -87.5062 -242.51 GPRESSURE: 76600 -169.353 120.949 -43.6074 -138.514 -26.663 11.5389 -6.708 -80.8287 -220.637 PRESSAVG: 76600 11.7533 -60.485 58.2509 -60.485 -27.9929 27.2651 58.251 27.2651 -19.3664 GPRESSAVG: 76600 12.3535 -61.4796 57.0484 -59.8366 -29.2982 29.4298 55.5583 26.1149 -18.6097 TIMING: 76600 CPU: 242.665, 0.00316794/step Wall: 242.665, 0.00316794/step, 4.33251 hours remaining, 221.902344 MB of memory in use. ENERGY: 76600 4056.9735 20456.8726 14386.1995 249.1082 -203660.9330 2567.6858 0.0000 0.0000 52346.1161 -109597.9773 300.8338 -161944.0934 -109229.5238 299.4726 -160.8942 -138.8843 761279.7040 -11.8686 -11.8515 PRESSURE: 76800 66.0518 53.0053 -140.366 53.0059 -16.9707 -36.2308 -140.366 -36.2296 -195.79 GPRESSURE: 76800 126.596 107.443 -187.294 61.8559 5.08512 46.6616 -68.6559 -160.52 -190.166 PRESSAVG: 76800 -6.14531 -0.636205 25.9998 -0.63626 17.6795 5.80602 25.9998 5.80599 12.0878 GPRESSAVG: 76800 -6.79505 -0.735318 26.6561 -1.54622 18.2519 4.6294 30.2246 5.42217 12.4345 TIMING: 76800 CPU: 243.298, 0.00316522/step Wall: 243.298, 0.00316522/step, 4.32861 hours remaining, 221.902344 MB of memory in use. ENERGY: 76800 3931.1077 20578.3150 14496.3372 242.5350 -203674.6791 2797.3841 0.0000 0.0000 52083.7130 -109545.2871 299.3258 -161629.0001 -109183.3047 299.7430 -48.9029 -19.4947 761860.1750 7.8740 7.9638 PRESSURE: 77000 -314.474 -91.1582 -192.498 -91.1581 -119.453 -211.423 -192.498 -211.422 -268.784 GPRESSURE: 77000 -288.136 -39.7571 -186.181 -220.216 -105.703 -295.596 -178.757 -105.032 -213.851 PRESSAVG: 77000 0.116066 -3.68039 -20.6648 -3.68037 19.3222 -24.4137 -20.6649 -24.4137 15.8765 GPRESSAVG: 77000 0.546726 -2.62643 -21.089 -3.65845 19.0934 -25.2806 -22.8822 -22.3366 15.7841 TIMING: 77000 CPU: 243.938, 0.00319826/step Wall: 243.938, 0.00319826/step, 4.37363 hours remaining, 221.902344 MB of memory in use. ENERGY: 77000 4075.5588 20481.7403 14441.2214 244.2200 -203169.8359 2373.0828 0.0000 0.0000 52163.9235 -109390.0891 299.7868 -161554.0126 -109024.0524 299.9584 -234.2372 -202.5631 762757.1847 11.7716 11.8081 PRESSURE: 77200 -89.6373 -60.6487 -131.215 -60.648 102.354 71.0407 -131.216 71.0405 125.47 GPRESSURE: 77200 -103.39 -83.2649 -55.4838 -1.51925 174.917 54.2068 -101.354 53.1319 156.088 PRESSAVG: 77200 25.6426 -17.0823 -39.8556 -17.0822 -18.0468 4.63005 -39.8556 4.63008 3.81961 GPRESSAVG: 77200 26.1484 -16.4658 -40.5133 -19.1155 -17.9784 5.61677 -39.0456 4.62378 3.53483 TIMING: 77200 CPU: 244.577, 0.00319749/step Wall: 244.577, 0.00319748/step, 4.37238 hours remaining, 221.902344 MB of memory in use. ENERGY: 77200 4002.6738 20633.3356 14432.6605 235.3338 -202993.4567 2464.0477 0.0000 0.0000 51804.4282 -109420.9770 297.7208 -161225.4053 -109059.6297 299.6480 46.0623 75.8714 762356.1201 3.8051 3.9016 PRESSURE: 77400 -182.587 -188.858 -10.5631 -188.859 52.4502 -266.991 -10.5623 -266.99 233.222 GPRESSURE: 77400 -67.8474 -75.8555 -93.4561 -125.302 0.12688 -215.342 86.963 -170.43 240.9 PRESSAVG: 77400 56.8479 -31.1562 -23.0661 -31.1561 -40.5542 -9.83206 -23.0662 -9.83206 10.8039 GPRESSAVG: 77400 56.6861 -31.38 -22.2566 -29.2338 -40.5298 -9.51399 -22.7106 -10.6305 10.8254 TIMING: 77400 CPU: 245.225, 0.00323741/step Wall: 245.225, 0.00323741/step, 4.4268 hours remaining, 221.902344 MB of memory in use. ENERGY: 77400 3954.0972 20473.6426 14493.2607 260.8627 -203096.2799 2323.0165 0.0000 0.0000 52197.2534 -109394.1467 299.9783 -161591.4002 -109034.2569 299.3202 34.3617 57.7265 760495.9779 9.0325 8.9939 PRESSURE: 77600 -78.1621 -238.255 428.356 -238.255 349.096 200.816 428.356 200.816 -95.1943 GPRESSURE: 77600 -19.3615 -192.738 392.645 -200.97 337.715 228.041 332.082 125.34 -54.7517 PRESSAVG: 77600 -7.33278 -54.2599 13.9356 -54.2598 21.949 -2.89608 13.9357 -2.89599 4.60891 GPRESSAVG: 77600 -7.3856 -53.6662 12.5477 -54.289 22.4693 -3.34902 12.9749 -3.83645 4.02722 TIMING: 77600 CPU: 245.862, 0.00318804/step Wall: 245.862, 0.00318804/step, 4.35912 hours remaining, 221.902344 MB of memory in use. ENERGY: 77600 3944.2652 20692.9487 14440.9365 255.7868 -203498.5555 2581.0443 0.0000 0.0000 52113.0935 -109470.4805 299.4947 -161583.5740 -109117.3010 299.8660 58.5797 87.8673 760349.9465 6.4084 6.3703 PRESSURE: 77800 -171.411 -32.382 -45.5948 -32.3826 -8.57552 -48.0224 -45.5947 -48.0218 38.7762 GPRESSURE: 77800 -105.421 62.4823 -105.711 -63.3654 38.8152 -89.3759 42.0159 -108.652 -18.6084 PRESSAVG: 77800 -31.13 -29.5124 26.7307 -29.5124 16.5092 -28.2349 26.7307 -28.2349 6.78516 GPRESSAVG: 77800 -32.3273 -29.2012 27.7471 -30.0828 17.0688 -30.6992 25.7987 -27.6135 7.21703 TIMING: 77800 CPU: 246.5, 0.00318819/step Wall: 246.5, 0.00318819/step, 4.35914 hours remaining, 221.902344 MB of memory in use. ENERGY: 77800 4043.8104 20345.9008 14406.3224 245.6727 -203408.3504 2615.8897 0.0000 0.0000 52211.5124 -109539.2420 300.0603 -161750.7543 -109183.4377 299.3964 -47.0701 -28.4047 761525.0984 -2.6119 -2.6805 PRESSURE: 78000 -166.781 95.9603 -24.9297 95.9602 131.48 74.414 -24.9289 74.4143 283.633 GPRESSURE: 78000 -122.785 141.833 5.10247 -63.6444 119.712 184.682 28.2112 -93.8439 329.253 PRESSAVG: 78000 -39.9085 -10.0141 108.518 -10.014 -23.8175 -39.2157 108.518 -39.2157 38.16 GPRESSAVG: 78000 -39.3047 -10.6681 108.603 -9.58471 -23.4895 -35.7697 109.826 -39.0592 36.9771 TIMING: 78000 CPU: 247.136, 0.003179/step Wall: 247.136, 0.003179/step, 4.3464 hours remaining, 221.902344 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: 78000 3960.5004 20436.3747 14523.8488 242.0001 -203305.4385 2445.5481 0.0000 0.0000 52124.0008 -109573.1655 299.5573 -161697.1663 -109214.4876 299.4912 82.7773 108.7267 761461.7048 -8.5220 -8.6057 PRESSURE: 78200 364.129 -1.28881 -201.627 -1.28818 -131.923 23.8562 -201.626 23.8555 -111.119 GPRESSURE: 78200 351.555 116.608 -250.24 -45.6563 -107.859 2.34494 -90.2061 29.5435 -39.2949 PRESSAVG: 78200 5.43262 -21.8748 27.0459 -21.8748 48.6915 7.31092 27.0459 7.31094 12.1688 GPRESSAVG: 78200 5.00738 -22.6619 28.0559 -21.4381 47.9594 5.58135 26.6529 7.13142 13.5479 TIMING: 78200 CPU: 247.774, 0.00319238/step Wall: 247.774, 0.00319238/step, 4.36451 hours remaining, 221.902344 MB of memory in use. ENERGY: 78200 3957.1892 20576.3215 14395.2247 251.2600 -203250.5484 2468.7898 0.0000 0.0000 52348.1772 -109253.5859 300.8457 -161601.7632 -108889.5707 299.7037 40.3621 68.1336 760902.8980 22.0976 22.1716 PRESSURE: 78400 -93.2123 47.8585 -79.0339 47.8588 -215.152 189.566 -79.0337 189.566 -94.3149 GPRESSURE: 78400 -121.483 -52.5751 -114.606 105.198 -162.039 153.164 -45.8034 276.944 -14.749 PRESSAVG: 78400 -4.27782 6.83895 -15.324 6.839 39.3119 38.2925 -15.324 38.2925 19.1409 GPRESSAVG: 78400 -4.09173 6.44253 -16.4212 10.3206 38.9467 39.4908 -16.3168 40.4491 19.4029 TIMING: 78400 CPU: 248.411, 0.00318522/step Wall: 248.411, 0.00318522/step, 4.35455 hours remaining, 221.902344 MB of memory in use. ENERGY: 78400 3935.3966 20517.3287 14451.5184 246.9711 -202925.9616 2179.0988 0.0000 0.0000 52151.8702 -109443.7779 299.7175 -161595.6481 -109075.6453 300.0725 -134.2263 -99.4237 761705.2383 18.0583 18.0860 PRESSURE: 78600 -278.293 210.028 2.91201 210.027 -274.863 115.299 2.91189 115.298 -74.7088 GPRESSURE: 78600 -231.271 260.074 -158.062 188.364 -216.977 135.235 65.5133 168.263 -87.3325 PRESSAVG: 78600 70.8808 19.7251 -10.8299 19.7252 -67.2215 5.24478 -10.8299 5.24484 -17.1732 GPRESSAVG: 78600 71.4899 20.1269 -11.2547 17.6112 -67.3525 3.99916 -9.82632 4.54952 -17.8006 TIMING: 78600 CPU: 249.046, 0.00317524/step Wall: 249.046, 0.00317524/step, 4.34073 hours remaining, 221.902344 MB of memory in use. ENERGY: 78600 3955.6009 20385.9322 14424.8451 240.0186 -202860.8535 2113.6272 0.0000 0.0000 52206.9977 -109533.8318 300.0343 -161740.8296 -109169.3856 299.2539 -209.2882 -178.5269 761132.2151 -4.5046 -4.5544 PRESSURE: 78800 -227.414 47.1015 23.691 47.1006 -339.492 145.219 23.6911 145.22 -72.784 GPRESSURE: 78800 -192.068 68.7836 64.8819 -1.96169 -326.88 180.762 143.333 123.984 -43.6851 PRESSAVG: 78800 -53.5523 -6.81414 29.856 -6.81408 43.9049 -2.85353 29.856 -2.85353 2.22891 GPRESSAVG: 78800 -54.5408 -6.73833 29.6196 -8.62279 44.3452 -2.49835 27.7518 -3.06109 3.09977 TIMING: 78800 CPU: 249.684, 0.00318615/step Wall: 249.684, 0.00318615/step, 4.35547 hours remaining, 221.902344 MB of memory in use. ENERGY: 78800 3956.1928 20618.7347 14500.8231 233.1878 -203357.9536 2264.2102 0.0000 0.0000 52240.1046 -109544.7003 300.2246 -161784.8049 -109178.7467 298.9792 -213.2301 -187.5441 760708.0927 -2.4728 -2.3653 PRESSURE: 79000 -547.633 -256.154 -69.8832 -256.154 123.745 -239.656 -69.8825 -239.657 -222.973 GPRESSURE: 79000 -452.464 -245.938 24.4388 -234.561 101.33 -124.232 -101.689 -217.163 -184.694 PRESSAVG: 79000 -28.1307 -53.8772 19.9161 -53.8772 -28.4714 8.78857 19.916 8.78845 -0.500094 GPRESSAVG: 79000 -27.6194 -54.3744 21.1828 -51.2735 -27.9873 8.68864 21.3445 7.10569 -1.62504 TIMING: 79000 CPU: 250.327, 0.00321398/step Wall: 250.327, 0.00321398/step, 4.39333 hours remaining, 221.902344 MB of memory in use. ENERGY: 79000 4005.2950 20648.8166 14502.9408 246.2971 -203016.7357 2156.4074 0.0000 0.0000 52052.8613 -109404.1175 299.1485 -161456.9788 -109037.3095 299.8009 -215.6204 -178.6093 760704.6348 -19.0340 -19.0772 PRESSURE: 79200 84.9302 -14.7705 3.57925 -14.7697 -69.8916 -298.975 3.57964 -298.975 -143.043 GPRESSURE: 79200 100.711 -31.138 7.97427 -70.3737 -14.1873 -291.186 36.378 -139.209 -123.157 PRESSAVG: 79200 4.40351 -9.04032 7.12291 -9.04036 -1.69085 43.5161 7.12294 43.516 2.34475 GPRESSAVG: 79200 4.50095 -9.12212 6.27107 -10.7708 -2.11057 42.3689 7.98419 44.2916 2.40557 TIMING: 79200 CPU: 250.958, 0.00315527/step Wall: 250.958, 0.00315527/step, 4.3129 hours remaining, 221.902344 MB of memory in use. ENERGY: 79200 3988.1371 20460.1372 14415.5501 242.0852 -203493.1791 2537.7281 0.0000 0.0000 52386.4466 -109463.0948 301.0656 -161849.5414 -109093.2449 299.6667 -42.6680 -12.2112 760414.6585 1.6858 1.5987 PRESSURE: 79400 -117.697 -22.296 85.3224 -22.2961 -401.301 21.9785 85.3222 21.9785 -139.078 GPRESSURE: 79400 -138.243 -45.9272 84.1364 112.04 -313.026 6.69858 113.734 95.5062 -147.28 PRESSAVG: 79400 14.4014 3.44435 30.3509 3.44426 -24.405 32.7137 30.3509 32.7137 11.5674 GPRESSAVG: 79400 14.0297 4.19433 30.6114 2.21658 -24.1507 33.193 29.8672 33.134 11.5495 TIMING: 79400 CPU: 251.59, 0.00316198/step Wall: 251.59, 0.00316198/step, 4.3219 hours remaining, 221.902344 MB of memory in use. ENERGY: 79400 4037.2074 20587.2137 14456.4361 246.0874 -203421.2250 2481.4385 0.0000 0.0000 52161.8375 -109451.0044 299.7748 -161612.8419 -109101.9655 299.4742 -219.3588 -199.5164 762070.7122 0.5213 0.4761 PRESSURE: 79600 141.149 224.821 -141.43 224.821 -351.163 -95.0453 -141.43 -95.0442 -444.581 GPRESSURE: 79600 89.7353 175.588 -151.553 180.509 -279.319 -76.8325 -19.3424 22.4829 -385.165 PRESSAVG: 79600 11.5654 -45.5793 31.6699 -45.5793 -19.2907 -19.2966 31.6699 -19.2967 -21.8041 GPRESSAVG: 79600 12.3231 -45.9496 31.2686 -44.6963 -20.8577 -18.9968 31.2612 -18.4277 -20.4333 TIMING: 79600 CPU: 252.223, 0.00316354/step Wall: 252.223, 0.00316354/step, 4.32385 hours remaining, 221.902344 MB of memory in use. ENERGY: 79600 3891.9615 20602.6902 14508.7549 221.3991 -203581.9726 2614.1347 0.0000 0.0000 52372.9474 -109370.0848 300.9880 -161743.0322 -109001.2955 300.0986 -218.1981 -191.5828 761459.7429 -9.8432 -9.6560 PRESSURE: 79800 36.5224 54.8815 -13.8623 54.8821 220.735 -12.7078 -13.8618 -12.7082 -159.886 GPRESSURE: 79800 125.872 90.27 208.112 144.291 194.907 -1.17618 -42.7366 -56.6354 -136.359 PRESSAVG: 79800 43.3839 -35.3826 67.4067 -35.3826 -4.63948 -1.256 67.4066 -1.25601 5.94836 GPRESSAVG: 79800 43.5093 -35.0809 67.4572 -33.1968 -3.85038 -0.533401 68.8802 -2.91115 4.93209 TIMING: 79800 CPU: 252.857, 0.0031725/step Wall: 252.857, 0.0031725/step, 4.33592 hours remaining, 221.902344 MB of memory in use. ENERGY: 79800 4024.2867 20600.1720 14531.8664 264.4409 -204125.1458 2965.1054 0.0000 0.0000 52031.3198 -109707.9547 299.0247 -161739.2744 -109341.0462 299.1673 32.4570 61.4730 761529.3804 14.8976 14.8637 PRESSURE: 80000 179.257 -95.8696 -97.1571 -95.8693 -334.844 245.54 -97.1569 245.54 -574.08 GPRESSURE: 80000 139.259 -51.8111 -96.638 54.5813 -308.307 158.536 -67.8046 291.088 -486.427 PRESSAVG: 80000 12.8977 -19.7743 11.9346 -19.7743 18.8178 -15.6644 11.9345 -15.6643 -1.70342 GPRESSAVG: 80000 12.4458 -19.382 11.3115 -19.5132 19.1678 -17.0155 12.9944 -14.0972 -1.57586 TIMING: 80000 CPU: 253.494, 0.00318326/step Wall: 253.494, 0.00318326/step, 4.35046 hours remaining, 221.902344 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: 80000 3991.2728 20638.6948 14435.0448 231.3416 -203924.8315 2640.1752 0.0000 0.0000 52215.2394 -109773.0629 300.0817 -161988.3023 -109403.7429 299.1014 -243.2224 -218.4918 760380.2766 10.0040 10.0126 PRESSURE: 80200 316.1 218.856 150.553 218.857 -100.639 -180.496 150.554 -180.496 -197.862 GPRESSURE: 80200 270.093 208.305 169.044 149.773 -15.9966 -157.327 14.6547 -177.384 -158.245 PRESSAVG: 80200 20.4186 -66.6919 -13.8874 -66.6918 11.8901 -21.5727 -13.8874 -21.5728 15.9198 GPRESSAVG: 80200 21.1304 -67.4032 -12.5738 -68.3021 11.4226 -20.3263 -13.5438 -21.3205 16.0575 TIMING: 80200 CPU: 254.131, 0.00318469/step Wall: 254.131, 0.00318469/step, 4.35224 hours remaining, 221.902344 MB of memory in use. ENERGY: 80200 4011.9727 20461.5309 14451.5923 249.9326 -203525.0147 2618.7693 0.0000 0.0000 51938.8126 -109792.4044 298.4931 -161731.2169 -109422.1684 299.2849 5.8661 31.9506 761469.1085 16.0762 16.2035 LDB: ============= START OF LOAD BALANCING ============== 266.553 LDB: ============== END OF LOAD BALANCING =============== 266.553 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.555 LDB: ============= START OF LOAD BALANCING ============== 266.874 LDB: Largest compute 7033 load 0.038141 is 19.6% of average load 0.194546 LDB: Average compute 0.004396 is 2.3% of average load 0.194546 LDB: TIME 266.878 LOAD: AVG 0.194546 MAX 0.213576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.621 MB LDB: TIME 266.878 LOAD: AVG 0.194546 MAX 0.213576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.785 MB LDB: TIME 266.878 LOAD: AVG 0.194546 MAX 0.213576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.785 MB LDB: ============== END OF LOAD BALANCING =============== 266.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.885 PRESSURE: 80400 41.0718 107.393 -22.1072 107.392 155.86 26.3237 -22.1076 26.3244 158.9 GPRESSURE: 80400 125.391 36.1677 -85.2584 191.442 139.582 83.7441 -3.49805 -3.45914 168.157 PRESSAVG: 80400 5.06746 4.84331 -9.91986 4.84334 2.71516 -25.1559 -9.91994 -25.156 -4.7243 GPRESSAVG: 80400 5.02908 4.51325 -10.1242 5.27712 2.57602 -24.9262 -12.1972 -27.2722 -3.99711 TIMING: 80400 CPU: 254.779, 0.00324297/step Wall: 254.779, 0.00324297/step, 4.43169 hours remaining, 222.109375 MB of memory in use. ENERGY: 80400 3948.3767 20548.9522 14446.0829 244.2796 -203748.2168 2669.3003 0.0000 0.0000 52249.2194 -109642.0057 300.2770 -161891.2251 -109271.2812 298.8570 118.6106 144.3767 758888.9002 1.0194 1.2027 PRESSURE: 80600 336.273 46.8339 -147.431 46.8338 388.294 -174.42 -147.43 -174.42 -11.9385 GPRESSURE: 80600 411.987 -16.2906 -225.228 16.6279 365.501 -241.702 -20.6516 -247.495 19.5461 PRESSAVG: 80600 10.5714 -65.259 3.20398 -65.259 55.155 40.8719 3.20397 40.8719 19.007 GPRESSAVG: 80600 10.4461 -66.1045 2.78723 -66.3409 55.5656 39.3365 5.30592 43.0954 18.0797 TIMING: 80600 CPU: 255.422, 0.00321203/step Wall: 255.422, 0.00321203/step, 4.38924 hours remaining, 222.179688 MB of memory in use. ENERGY: 80600 3977.7072 20589.2674 14483.5123 243.8804 -204042.2497 2977.9877 0.0000 0.0000 52044.4728 -109725.4221 299.1003 -161769.8948 -109373.6215 299.4189 237.5427 265.6780 760923.3587 28.2445 28.0305 PRESSURE: 80800 271.349 97.0215 43.8115 97.0228 287.042 -117.003 43.8112 -117.002 205.607 GPRESSURE: 80800 278.607 122.003 80.4098 -35.3028 286.608 -133.598 -82.2896 46.1664 288.739 PRESSAVG: 80800 -46.192 -27.2669 27.5577 -27.267 13.7092 -29.4106 27.5577 -29.4105 -16.5749 GPRESSAVG: 80800 -45.5528 -24.9432 29.6055 -27.7187 12.8709 -28.3443 24.5998 -29.7767 -15.478 TIMING: 80800 CPU: 256.063, 0.0032061/step Wall: 256.063, 0.0032061/step, 4.38095 hours remaining, 222.179688 MB of memory in use. ENERGY: 80800 3909.7449 20476.1629 14390.3581 232.0208 -203904.0524 2898.4549 0.0000 0.0000 51962.6363 -110034.6744 298.6300 -161997.3108 -109674.9461 298.5575 254.6659 284.6513 761307.3859 -16.3526 -16.0533 PRESSURE: 81000 -47.2532 -222.308 9.71715 -222.309 282.484 -157.929 9.71688 -157.928 34.8139 GPRESSURE: 81000 5.6916 -319.963 -78.9666 -76.2795 306.375 -103.294 47.959 -94.3526 57.1191 PRESSAVG: 81000 -46.2995 -64.9462 23.956 -64.9462 5.49537 -6.47918 23.956 -6.4791 5.21118 GPRESSAVG: 81000 -46.8653 -66.6208 22.8281 -62.8235 6.95265 -5.0455 23.231 -7.05512 4.42549 TIMING: 81000 CPU: 256.702, 0.0031964/step Wall: 256.702, 0.0031964/step, 4.36753 hours remaining, 222.179688 MB of memory in use. ENERGY: 81000 4020.3525 20382.5135 14429.5240 246.4958 -203634.5036 2591.5775 0.0000 0.0000 51932.1295 -110031.9108 298.4547 -161964.0403 -109674.7843 298.2716 90.0149 123.0620 758951.7246 -11.8643 -11.8291 PRESSURE: 81200 94.4199 -117.662 -0.839463 -117.663 19.7229 -72.505 -0.839525 -72.5053 -101.146 GPRESSURE: 81200 169.581 -46.6789 -74.3844 -106.708 -33.7799 -82.1694 62.8935 -108.777 -39.6535 PRESSAVG: 81200 -14.1962 -28.2185 24.6442 -28.2185 54.1052 -26.2859 24.6442 -26.2859 -7.87848 GPRESSAVG: 81200 -15.3772 -28.7763 24.453 -29.6275 54.4522 -27.7968 26.3155 -28.2969 -6.94568 TIMING: 81200 CPU: 257.342, 0.00319968/step Wall: 257.342, 0.00319968/step, 4.37183 hours remaining, 222.179688 MB of memory in use. ENERGY: 81200 3957.2996 20489.8881 14451.2513 257.0721 -203683.2816 2725.6055 0.0000 0.0000 51641.2185 -110160.9466 296.7828 -161802.1651 -109813.4631 298.7590 4.3324 32.0493 760095.1712 10.6768 10.7098 PRESSURE: 81400 72.8238 -53.0851 149.695 -53.0843 -200.477 219.233 149.695 219.233 -140.789 GPRESSURE: 81400 155.245 -48.6756 186.316 -28.7784 -158.897 221.861 42.289 83.7417 -185.641 PRESSAVG: 81400 -8.84785 -48.0417 30.9609 -48.0418 19.8318 23.3162 30.961 23.3162 23.8241 GPRESSAVG: 81400 -8.06228 -45.5532 29.8742 -48.449 20.0497 23.6288 30.9365 25.0644 22.539 TIMING: 81400 CPU: 257.979, 0.00318584/step Wall: 257.979, 0.00318584/step, 4.35275 hours remaining, 222.179688 MB of memory in use. ENERGY: 81400 3967.4670 20472.7290 14448.4971 265.9802 -203613.4732 2621.5636 0.0000 0.0000 51878.6629 -109958.5733 298.1474 -161837.2362 -109596.4345 298.5106 -89.4807 -63.0975 760841.3665 11.6027 11.5088 PRESSURE: 81600 59.3951 172.673 118.225 172.673 274.691 64.0904 118.224 64.0914 4.02872 GPRESSURE: 81600 87.1492 178.432 37.9905 157.737 274.383 109.363 214.133 135.517 61.24 PRESSAVG: 81600 -13.5193 -14.127 -11.7257 -14.1269 54.0485 70.7019 -11.7257 70.7019 -12.6746 GPRESSAVG: 81600 -14.0329 -15.2019 -12.3972 -15.6127 53.4893 70.0525 -11.6161 70.7204 -11.7012 TIMING: 81600 CPU: 258.62, 0.00320265/step Wall: 258.62, 0.00320265/step, 4.37553 hours remaining, 222.179688 MB of memory in use. ENERGY: 81600 3987.2272 20298.7212 14511.5181 249.8842 -203677.2489 2593.2754 0.0000 0.0000 52019.8384 -110016.7843 298.9587 -162036.6228 -109656.1592 298.5496 112.7049 140.9240 759259.7340 9.2849 9.2517 PRESSURE: 81800 341.197 18.3097 -147.237 18.3098 30.9577 82.5372 -147.237 82.5364 108.277 GPRESSURE: 81800 303.218 42.8463 -229.974 76.0199 78.7911 71.2949 -82.0139 98.8982 173.37 PRESSAVG: 81800 3.8744 -39.6809 -13.9448 -39.6809 -17.764 86.0973 -13.9448 86.0972 -2.54569 GPRESSAVG: 81800 3.95619 -40.0431 -13.2528 -37.3427 -17.9423 87.2509 -14.9162 85.2523 -2.57211 TIMING: 81800 CPU: 259.254, 0.00317118/step Wall: 259.254, 0.00317118/step, 4.33236 hours remaining, 222.179688 MB of memory in use. ENERGY: 81800 3936.4658 20466.3638 14421.2250 255.4040 -204080.7291 2749.2587 0.0000 0.0000 52096.8728 -110155.1389 299.4014 -162252.0118 -109794.3062 298.3240 160.1439 185.1263 759856.8366 -5.4784 -5.5194 PRESSURE: 82000 -128.549 -104.364 133.812 -104.365 172.624 -295.166 133.813 -295.166 74.7301 GPRESSURE: 82000 -35.6304 -69.6007 29.7641 -146.91 213.983 -337.193 77.7038 -256.934 25.7216 PRESSAVG: 82000 -35.1053 -6.88568 37.1611 -6.88563 23.4362 44.4602 37.1611 44.4603 -2.2385 GPRESSAVG: 82000 -34.2708 -7.74834 37.5412 -6.59221 24.3091 44.5429 37.5575 46.0976 -3.83329 TIMING: 82000 CPU: 259.897, 0.00321212/step Wall: 259.897, 0.00321212/step, 4.38811 hours remaining, 222.179688 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: 82000 4000.5148 20482.2020 14360.3540 243.6286 -203357.4635 2309.3146 0.0000 0.0000 52125.2839 -109836.1656 299.5647 -161961.4496 -109475.9072 298.7847 39.6016 68.0247 759159.0568 -4.6358 -4.5983 PRESSURE: 82200 78.6901 -90.389 -122.175 -90.3896 265.495 43.7388 -122.175 43.7385 -68.2189 GPRESSURE: 82200 61.9836 -87.8499 -143.642 -70.5579 330.31 78.6716 -45.4985 -70.3747 -31.9885 PRESSAVG: 82200 -63.1352 -28.6256 -51.7898 -28.6256 56.1985 -24.1441 -51.7898 -24.1442 -10.8749 GPRESSAVG: 82200 -64.4296 -28.2743 -51.975 -30.5808 56.6008 -24.8205 -49.9589 -22.5463 -10.2655 TIMING: 82200 CPU: 260.552, 0.00327506/step Wall: 260.552, 0.00327506/step, 4.47391 hours remaining, 222.179688 MB of memory in use. ENERGY: 82200 3973.1708 20334.2249 14412.0688 258.6378 -203719.8710 2597.6554 0.0000 0.0000 52120.8116 -110023.3018 299.5390 -162144.1135 -109654.6802 299.2460 91.9886 120.1017 760190.0194 -5.9372 -6.0314 PRESSURE: 82400 -365.202 -67.672 -175.509 -67.6723 -359.803 8.00759 -175.509 8.00789 478.212 GPRESSURE: 82400 -260.363 -95.3981 -182.763 -96.0361 -330.81 -47.9071 -27.6497 179.943 435.486 PRESSAVG: 82400 30.6929 -69.1888 20.7961 -69.1888 10.6604 5.35254 20.7962 5.3525 -2.59707 GPRESSAVG: 82400 32.5462 -69.9322 22.1507 -67.4152 9.08844 5.8215 18.5575 4.82839 -2.64672 TIMING: 82400 CPU: 261.198, 0.0032328/step Wall: 261.198, 0.0032328/step, 4.416 hours remaining, 222.179688 MB of memory in use. ENERGY: 82400 3978.3428 20428.6514 14397.3847 254.0328 -203469.2762 2379.1485 0.0000 0.0000 52073.2685 -109958.4475 299.2658 -162031.7160 -109589.7868 298.6757 -82.2643 -51.8954 760079.3171 12.9188 12.9960 PRESSURE: 82600 447.614 -94.5504 -198.599 -94.5504 393.649 -169.344 -198.598 -169.344 229.661 GPRESSURE: 82600 476.201 -78.038 -270.057 -135.574 404.581 -99.0105 -193.643 -254.916 260.824 PRESSAVG: 82600 -65.8159 -78.9878 17.2899 -78.9877 46.7136 43.5151 17.29 43.5151 -5.15906 GPRESSAVG: 82600 -67.2524 -79.3514 19.5367 -79.6408 47.7723 43.8774 19.06 41.8106 -4.89041 TIMING: 82600 CPU: 261.841, 0.00321498/step Wall: 261.841, 0.00321498/step, 4.39149 hours remaining, 222.179688 MB of memory in use. ENERGY: 82600 3920.7012 20489.9419 14370.1838 255.9503 -203682.9084 2953.4184 0.0000 0.0000 51921.0730 -109771.6398 298.3911 -161692.7127 -109402.6746 298.9129 356.9747 380.5356 760728.1320 -8.0872 -8.1235 PRESSURE: 82800 241.321 -35.093 -36.0197 -35.0935 75.8082 140.062 -36.0202 140.062 86.8858 GPRESSURE: 82800 231.104 -26.7697 -79.8746 -80.7137 139.768 219.571 -80.1378 127.738 115.626 PRESSAVG: 82800 -34.8727 -54.3017 18.0276 -54.3017 85.4408 -12.4682 18.0276 -12.4682 -2.42985 GPRESSAVG: 82800 -34.4509 -55.751 15.2218 -54.0643 84.5391 -12.0534 16.8594 -12.62 -2.52715 TIMING: 82800 CPU: 262.482, 0.00320343/step Wall: 262.482, 0.00320343/step, 4.37552 hours remaining, 222.179688 MB of memory in use. ENERGY: 82800 3960.6304 20500.5474 14469.7334 275.1828 -203691.3666 2915.3227 0.0000 0.0000 51874.7308 -109695.2191 298.1248 -161569.9499 -109335.1805 298.7155 134.6718 162.1662 760557.7515 16.0461 15.8537 PRESSURE: 83000 15.4324 -107.385 209.572 -107.385 56.8486 -36.7231 209.572 -36.7231 189.699 GPRESSURE: 83000 81.0976 -74.4074 232.997 -81.187 100.013 30.3988 295.352 -48.9945 162.945 PRESSAVG: 83000 -1.74523 -96.9304 -29.4892 -96.9304 -30.3948 -17.6511 -29.4892 -17.6511 10.69 GPRESSAVG: 83000 -2.06466 -96.7284 -29.527 -96.7156 -29.2855 -19.4244 -27.7162 -15.8471 10.1815 TIMING: 83000 CPU: 263.123, 0.00320355/step Wall: 263.123, 0.00320355/step, 4.37552 hours remaining, 222.179688 MB of memory in use. ENERGY: 83000 3933.6703 20388.2767 14453.9281 239.0901 -203148.7139 2364.2262 0.0000 0.0000 52132.8860 -109636.6365 299.6084 -161769.5225 -109270.3816 298.8174 87.3268 114.6853 760298.5800 -7.1500 -7.0562 PRESSURE: 83200 -57.4098 -114.68 -146.471 -114.68 157.606 14.9708 -146.471 14.9724 -48.8946 GPRESSURE: 83200 -63.5614 -97.0897 -54.052 -179.304 157.754 -36.7366 -128.04 11.0118 27.4931 PRESSAVG: 83200 -53.8963 -54.5027 18.4394 -54.5028 38.6209 49.7688 18.4394 49.7689 -16.9622 GPRESSAVG: 83200 -53.4539 -52.1352 18.5731 -56.3086 37.7368 51.1825 17.6707 47.8687 -17.1315 TIMING: 83200 CPU: 263.764, 0.00320631/step Wall: 263.764, 0.00320631/step, 4.37911 hours remaining, 222.179688 MB of memory in use. ENERGY: 83200 4001.0078 20582.0963 14416.2243 248.7986 -203539.7229 2519.9444 0.0000 0.0000 52168.6866 -109602.9649 299.8142 -161771.6514 -109240.7379 299.2887 17.1005 40.5619 760503.3690 -10.7458 -10.9495 PRESSURE: 83400 -325.409 -1.33339 85.533 -1.33309 -369.584 -99.3772 85.5325 -99.377 -245.495 GPRESSURE: 83400 -312.23 55.4457 77.3439 -99.6163 -352.506 -93.1011 164.409 -204.995 -157.801 PRESSAVG: 83400 -71.6494 -119.675 -7.24984 -119.675 4.6676 -2.51369 -7.24983 -2.51371 -1.22474 GPRESSAVG: 83400 -71.3184 -120.501 -5.54239 -119.019 4.79862 -2.89823 -8.22671 -1.6531 -2.25073 TIMING: 83400 CPU: 264.408, 0.00322115/step Wall: 264.408, 0.00322115/step, 4.39919 hours remaining, 222.179688 MB of memory in use. ENERGY: 83400 4033.2601 20250.1050 14470.7015 251.0605 -203012.3211 2347.9324 0.0000 0.0000 52098.2460 -109561.0156 299.4093 -161659.2615 -109199.2792 299.2046 -313.4959 -274.1790 760608.5363 -22.7355 -22.9235 PRESSURE: 83600 434.095 -130.965 -101.97 -130.965 253.927 18.7319 -101.97 18.7324 450.336 GPRESSURE: 83600 534.391 -119.723 -109.891 -90.7809 216.092 -67.4198 -309.62 38.1476 463.833 PRESSAVG: 83600 -10.73 -36.9783 20.7355 -36.9783 6.97185 18.3407 20.7355 18.3408 11.554 GPRESSAVG: 83600 -10.3865 -36.2223 19.3855 -36.8992 5.73506 18.1425 20.9566 17.4095 12.7468 TIMING: 83600 CPU: 265.057, 0.00324424/step Wall: 265.057, 0.00324424/step, 4.43055 hours remaining, 222.179688 MB of memory in use. ENERGY: 83600 4011.2924 20418.8783 14511.5246 262.0534 -203502.3136 2646.4079 0.0000 0.0000 52183.4426 -109468.7144 299.8990 -161652.1570 -109100.4786 299.3990 379.4526 404.7719 760679.0625 2.5986 2.6984 PRESSURE: 83800 72.4805 -145.06 -163.245 -145.061 -53.437 -83.9539 -163.246 -83.9532 -263.981 GPRESSURE: 83800 68.5869 -176.335 -147.091 4.26315 -28.8955 13.1535 22.5194 -3.25481 -216.556 PRESSAVG: 83800 -38.6442 -74.8162 5.64726 -74.8162 15.4747 18.7206 5.64728 18.7207 -18.2315 GPRESSAVG: 83800 -38.1646 -74.3809 6.60132 -73.5779 16.4831 18.7583 6.004 19.1785 -19.606 TIMING: 83800 CPU: 265.696, 0.00319685/step Wall: 265.696, 0.00319685/step, 4.36566 hours remaining, 222.179688 MB of memory in use. ENERGY: 83800 3994.3825 20535.8933 14488.1387 255.9940 -203114.4758 2315.5975 0.0000 0.0000 52022.8490 -109501.6209 298.9760 -161524.4698 -109142.0318 299.4848 -81.6458 -58.9550 761002.2326 -13.8003 -13.7625 PRESSURE: 84000 413.745 53.1963 58.1891 53.1968 -34.0641 -210.765 58.1894 -210.765 -107.544 GPRESSURE: 84000 366.259 86.9517 33.4688 45.6705 45.1474 -211.987 84.8345 -158.412 -60.8294 PRESSAVG: 84000 -12.5311 -94.6033 14.7608 -94.6034 5.83685 -26.1266 14.7607 -26.1266 11.4458 GPRESSAVG: 84000 -13.1579 -94.9853 14.0097 -95.9362 5.46075 -26.5948 14.8652 -24.8423 13.1275 TIMING: 84000 CPU: 266.344, 0.00323752/step Wall: 266.344, 0.00323752/step, 4.42102 hours remaining, 222.179688 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: 84000 3978.0163 20548.4934 14436.2448 262.4006 -203264.6816 2342.0927 0.0000 0.0000 52252.1111 -109445.3227 300.2936 -161697.4339 -109078.3887 299.6144 90.7122 116.8590 758180.9839 1.5838 1.8101 PRESSURE: 84200 -90.3536 102.818 -73.3962 102.817 -668.589 -73.2905 -73.3964 -73.2903 -328.411 GPRESSURE: 84200 -86.8996 23.6028 -56.2463 200.423 -557.387 -53.7951 -70.7087 -18.6392 -333.27 PRESSAVG: 84200 19.6085 -30.1095 15.569 -30.1095 -17.2402 10.5171 15.569 10.5171 -35.3605 GPRESSAVG: 84200 19.6478 -29.7894 15.0791 -30.1086 -16.371 11.7367 16.821 11.4805 -35.7464 TIMING: 84200 CPU: 266.986, 0.00321174/step Wall: 266.986, 0.00321174/step, 4.38564 hours remaining, 222.179688 MB of memory in use. ENERGY: 84200 3994.2786 20487.9225 14464.0771 232.7314 -202857.2682 2245.3320 0.0000 0.0000 51980.6157 -109452.3110 298.7333 -161432.9266 -109088.1939 299.9349 -362.4514 -325.8523 759912.0354 -10.9974 -10.8232 LDB: ============= START OF LOAD BALANCING ============== 279.412 LDB: ============== END OF LOAD BALANCING =============== 279.412 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 279.413 LDB: ============= START OF LOAD BALANCING ============== 279.731 LDB: Largest compute 7033 load 0.037516 is 19.3% of average load 0.194613 LDB: Average compute 0.004408 is 2.3% of average load 0.194613 LDB: TIME 279.734 LOAD: AVG 0.194613 MAX 0.211145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.742 MB LDB: TIME 279.735 LOAD: AVG 0.194613 MAX 0.211145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.945 MB LDB: TIME 279.735 LOAD: AVG 0.194613 MAX 0.211145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.945 MB LDB: ============== END OF LOAD BALANCING =============== 279.737 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 279.741 PRESSURE: 84400 -202.838 41.0457 -96.2589 41.0454 -139 28.1952 -96.2585 28.1966 -91.4318 GPRESSURE: 84400 -144.654 17.9091 -104.716 -103.273 -91.0634 95.9182 -172.865 2.42118 -102.516 PRESSAVG: 84400 -24.8801 -73.9336 20.8473 -73.9336 30.3109 24.1995 20.8473 24.1995 8.50109 GPRESSAVG: 84400 -24.8694 -76.4178 19.6794 -73.5562 30.4381 24.0738 19.7243 21.9634 8.22432 TIMING: 84400 CPU: 267.635, 0.00324555/step Wall: 267.635, 0.00324555/step, 4.43162 hours remaining, 223.460938 MB of memory in use. ENERGY: 84400 4005.9732 20469.3557 14530.0083 235.1300 -203492.0607 2415.1708 0.0000 0.0000 52498.2122 -109338.2106 301.7079 -161836.4228 -108973.4626 300.1266 -144.4232 -112.7443 758471.1269 4.6440 4.5977 PRESSURE: 84600 -83.3527 -231.499 -36.7836 -231.499 -31.6137 -53.446 -36.7834 -53.4449 -43.352 GPRESSURE: 84600 -78.4281 -202.926 -43.0707 -203.122 70.4474 10.6034 42.09 -39.4905 -82.729 PRESSAVG: 84600 -12.6396 -44.946 -42.3138 -44.946 35.2103 12.344 -42.3138 12.344 -1.81712 GPRESSAVG: 84600 -12.9124 -43.7091 -41.7325 -45.518 35.1937 11.0036 -41.3839 13.6687 -1.85721 TIMING: 84600 CPU: 268.275, 0.00319729/step Wall: 268.275, 0.00319729/step, 4.36554 hours remaining, 223.664062 MB of memory in use. ENERGY: 84600 4041.6277 20644.7047 14457.9311 242.9580 -203606.6641 2658.8942 0.0000 0.0000 52273.7691 -109286.7793 300.4181 -161560.5484 -108918.7142 300.0226 -52.7728 -30.2366 758343.5734 6.9178 6.8080 PRESSURE: 84800 94.1869 -46.2 207.446 -46.1998 746.199 -32.4219 207.446 -32.4206 348.581 GPRESSURE: 84800 174.82 -57.6645 220.949 -54.1748 769.245 -26.6595 187.651 67.162 333.986 PRESSAVG: 84800 -12.2702 -38.9225 20.1347 -38.9226 38.2711 -17.6236 20.1347 -17.6236 7.10539 GPRESSAVG: 84800 -13.3556 -37.9657 20.9901 -35.808 38.4086 -16.4453 17.8214 -18.269 8.34797 TIMING: 84800 CPU: 268.922, 0.0032379/step Wall: 268.922, 0.0032379/step, 4.42081 hours remaining, 223.664062 MB of memory in use. ENERGY: 84800 3926.6175 20568.7489 14514.2430 259.5769 -203685.3751 2707.3950 0.0000 0.0000 52359.2318 -109349.5619 300.9092 -161708.7937 -108976.1219 299.5826 396.3224 426.0172 760238.6613 11.0355 11.1337 PRESSURE: 85000 -211.114 -97.3554 45.394 -97.3554 2.25287 97.1695 45.3944 97.1699 477.555 GPRESSURE: 85000 -154.941 -27.6941 97.8383 -133.087 104.636 55.7827 24.5199 -0.693481 411.104 PRESSAVG: 85000 -26 -90.022 -20.3427 -90.0221 54.8722 36.3838 -20.3428 36.3839 -3.46828 GPRESSAVG: 85000 -23.6894 -91.0898 -19.0008 -92.1517 53.6721 34.351 -21.1655 36.8955 -4.8192 TIMING: 85000 CPU: 269.563, 0.00320241/step Wall: 269.563, 0.00320241/step, 4.37218 hours remaining, 223.664062 MB of memory in use. ENERGY: 85000 3990.3263 20580.7535 14475.8666 248.0991 -203378.4670 2489.4168 0.0000 0.0000 52278.7244 -109315.2803 300.4465 -161594.0046 -108951.0542 299.6143 89.5644 120.2665 761180.9349 8.4680 8.3878 PRESSURE: 85200 -156.756 59.8533 89.3831 59.8539 -121.845 37.0598 89.3836 37.0602 -245.184 GPRESSURE: 85200 -160.498 -38.62 103.054 -74.2579 -29.5704 -109.241 28.9368 -26.9252 -253.095 PRESSAVG: 85200 -42.5837 -67.2231 9.72762 -67.2231 63.3063 24.8519 9.72761 24.8519 -15.9728 GPRESSAVG: 85200 -43.223 -66.7491 7.58602 -68.3374 63.514 27.7215 13.6119 25.1058 -15.3244 TIMING: 85200 CPU: 270.202, 0.00319479/step Wall: 270.202, 0.00319479/step, 4.3616 hours remaining, 223.664062 MB of memory in use. ENERGY: 85200 4043.6192 20431.6436 14431.8963 252.4439 -202859.7481 2150.1701 0.0000 0.0000 52201.0149 -109348.9601 299.9999 -161549.9750 -108977.8440 299.8063 -174.5953 -147.7212 760665.1627 1.5832 1.6555 PRESSURE: 85400 278.829 -27.5366 147.783 -27.5367 150.264 16.5729 147.783 16.5737 -215.602 GPRESSURE: 85400 309.736 -71.1347 100.894 -145.725 144.049 -16.4015 84.8711 -11.3485 -160.143 PRESSAVG: 85400 -22.1417 -60.0458 -9.89625 -60.0459 64.5548 -11.8 -9.89633 -11.8001 -4.58783 GPRESSAVG: 85400 -21.5569 -60.0533 -10.3591 -60.6018 65.0417 -12.6496 -10.7186 -14.7715 -4.92578 TIMING: 85400 CPU: 270.843, 0.00320436/step Wall: 270.843, 0.00320436/step, 4.37449 hours remaining, 223.664062 MB of memory in use. ENERGY: 85400 3935.5883 20556.2203 14461.8205 250.3389 -203040.0700 2292.9885 0.0000 0.0000 52105.5584 -109437.5551 299.4514 -161543.1135 -109074.9939 299.5976 71.1640 97.8808 761590.2804 12.6084 12.8530 PRESSURE: 85600 198.356 -157.012 43.6205 -157.012 246.149 -214.421 43.6202 -214.421 -183.109 GPRESSURE: 85600 192.083 -178.027 55.9685 -212.199 311.871 -270.388 57.2614 8.79076 -165.399 PRESSAVG: 85600 -2.47896 -79.5791 57.7489 -79.5791 12.5712 21.4629 57.7488 21.4628 1.51842 GPRESSAVG: 85600 -2.44167 -79.5969 58.1981 -78.0961 12.3745 23.0254 57.0985 22.0841 1.49616 TIMING: 85600 CPU: 271.484, 0.00320936/step Wall: 271.484, 0.00320936/step, 4.38113 hours remaining, 223.664062 MB of memory in use. ENERGY: 85600 3951.0123 20489.7594 14441.2350 240.0788 -203631.8988 2696.5480 0.0000 0.0000 52359.9289 -109453.3364 300.9132 -161813.2653 -109089.7483 299.3217 87.1321 112.8516 760595.5865 3.8702 3.8097 PRESSURE: 85800 368.518 -22.4739 300.956 -22.4747 -206.039 10.4668 300.956 10.4672 -111.249 GPRESSURE: 85800 435.6 52.0678 353.151 -22.3995 -97.3017 -7.14996 275.865 91.0034 -189.097 PRESSAVG: 85800 -12.9226 -47.8183 -14.558 -47.8183 10.2138 -20.5261 -14.5579 -20.526 -2.59643 GPRESSAVG: 85800 -13.9996 -47.6635 -14.5027 -48.9443 11.3681 -22.1839 -15.9958 -19.6168 -3.25195 TIMING: 85800 CPU: 272.122, 0.00318554/step Wall: 272.122, 0.00318554/step, 4.34843 hours remaining, 223.664062 MB of memory in use. ENERGY: 85800 4013.8136 20602.5615 14474.2046 248.7242 -203835.2744 3001.3536 0.0000 0.0000 52006.9605 -109487.6563 298.8847 -161494.6169 -109133.8803 299.6101 17.0768 49.7337 762286.8256 -1.7684 -1.9612 PRESSURE: 86000 -227.893 -74.9532 -198.102 -74.9532 -606.377 17.0331 -198.101 17.0335 76.4978 GPRESSURE: 86000 -123.383 -114.971 -211.885 -26.7986 -584.332 172.713 -139.826 -65.0553 45.1482 PRESSAVG: 86000 -3.45422 -41.5454 -48.3363 -41.5453 -1.95705 20.9157 -48.3363 20.9156 -7.13933 GPRESSAVG: 86000 -3.27849 -41.7972 -48.474 -40.5919 -1.62316 21.3515 -47.1452 21.5646 -7.24413 TIMING: 86000 CPU: 272.758, 0.00318089/step Wall: 272.758, 0.00318089/step, 4.34191 hours remaining, 223.664062 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: 86000 4050.7233 20508.0744 14504.8620 256.4181 -202929.7042 2109.0248 0.0000 0.0000 51912.5121 -109588.0894 298.3419 -161500.6015 -109234.7430 298.7489 -252.5908 -220.8555 762011.2499 -4.1835 -4.0486 PRESSURE: 86200 -216.511 -11.9227 -199.668 -11.9234 -83.9353 -81.3117 -199.667 -81.3112 50.2871 GPRESSURE: 86200 -57.3487 -10.4445 -176.612 4.94123 -190.857 -133.16 -162.689 -111.885 76.0131 PRESSAVG: 86200 0.121414 -31.1753 -42.9609 -31.1753 13.8879 36.9242 -42.961 36.9241 -11.9231 GPRESSAVG: 86200 0.657248 -31.228 -42.5355 -31.5972 12.8072 37.5936 -43.5706 35.2289 -11.5384 TIMING: 86200 CPU: 273.398, 0.00320324/step Wall: 273.398, 0.00320324/step, 4.37224 hours remaining, 223.664062 MB of memory in use. ENERGY: 86200 4018.0774 20477.1705 14455.2275 246.2877 -203141.7838 2182.1175 0.0000 0.0000 52081.6203 -109681.2829 299.3138 -161762.9032 -109313.7194 298.8528 -83.3865 -57.3975 762432.6504 0.6954 0.6420 PRESSURE: 86400 -32.4176 52.9744 -96.309 52.9742 63.7599 8.0701 -96.3086 8.07032 29.1557 GPRESSURE: 86400 -22.6172 -2.90953 -210.593 -6.46876 125.54 -62.6793 -19.3258 168.842 44.973 PRESSAVG: 86400 -34.4186 -10.05 -47.0987 -10.05 40.8655 -1.20129 -47.0986 -1.20124 -29.8142 GPRESSAVG: 86400 -35.3338 -11.0291 -46.9244 -11.1136 41.1806 -1.56994 -47.4805 0.265579 -28.9076 TIMING: 86400 CPU: 274.043, 0.00322288/step Wall: 274.043, 0.00322288/step, 4.39887 hours remaining, 223.664062 MB of memory in use. ENERGY: 86400 4020.9013 20420.5139 14529.3107 240.2298 -203909.4961 2958.7164 0.0000 0.0000 51955.8339 -109783.9901 298.5909 -161739.8240 -109423.7047 298.9943 20.1660 49.2987 762215.8084 -7.7891 -7.6869 PRESSURE: 86600 -303.925 64.5416 -0.592093 64.5419 -151.586 141.723 -0.591693 141.721 -295.497 GPRESSURE: 86600 -298.724 -24.426 -0.24078 142.29 -167.652 172.779 12.3532 19.5911 -212.063 PRESSAVG: 86600 -41.1686 -27.5219 -55.3942 -27.5219 20.2763 22.4573 -55.3942 22.4573 30.1244 GPRESSAVG: 86600 -40.5999 -26.6238 -56.3053 -27.1098 19.8808 21.8039 -53.4463 21.7493 30.1339 TIMING: 86600 CPU: 274.683, 0.00320049/step Wall: 274.683, 0.00320049/step, 4.36813 hours remaining, 223.664062 MB of memory in use. ENERGY: 86600 4003.4371 20656.5578 14530.7871 251.2330 -203614.7568 2485.9572 0.0000 0.0000 51868.6485 -109818.1360 298.0898 -161686.7845 -109458.6288 298.5046 -250.3362 -226.1465 761761.3533 3.0774 3.1383 PRESSURE: 86800 -169.141 -93.8879 138.165 -93.8872 -107.531 182.62 138.166 182.62 -64.1132 GPRESSURE: 86800 -36.3747 -19.6102 150.766 50.8109 -63.137 243.648 -6.41989 85.4841 -142.794 PRESSAVG: 86800 7.66957 24.1023 4.79505 24.1023 42.0589 -7.23899 4.79504 -7.23912 -9.72418 GPRESSAVG: 86800 7.36097 25.9129 6.03839 24.6938 42.7695 -6.23449 3.75624 -7.75868 -9.60461 TIMING: 86800 CPU: 275.325, 0.00320769/step Wall: 275.325, 0.00320769/step, 4.37778 hours remaining, 223.664062 MB of memory in use. ENERGY: 86800 4006.1101 20618.5974 14501.8212 228.8754 -203744.6817 2768.1678 0.0000 0.0000 51812.1511 -109808.9588 297.7651 -161621.1099 -109456.7759 298.5631 -113.5952 -80.7684 759889.4185 13.3347 13.5086 PRESSURE: 87000 -547.907 -83.9509 -233.378 -83.9512 -59.6656 174.516 -233.377 174.516 -45.2209 GPRESSURE: 87000 -504.858 57.4901 -292.398 -120.95 -84.9875 152.238 -111.615 135.58 22.2629 PRESSAVG: 87000 -62.2438 -34.9105 -61.9957 -34.9104 18.3585 -12.322 -61.9957 -12.3219 -36.8881 GPRESSAVG: 87000 -61.3647 -36.5294 -63.9976 -35.7828 18.4382 -11.8891 -60.3587 -12.85 -37.6915 TIMING: 87000 CPU: 275.964, 0.00319642/step Wall: 275.964, 0.00319642/step, 4.36223 hours remaining, 223.664062 MB of memory in use. ENERGY: 87000 3968.7739 20553.6680 14528.4467 254.7378 -203290.3775 2272.4888 0.0000 0.0000 52021.2020 -109691.0604 298.9666 -161712.2623 -109328.4469 298.4978 -217.5978 -189.1941 760873.5586 -26.9245 -26.8727 PRESSURE: 87200 18.7947 76.0848 131.286 76.0858 -70.9821 -35.3594 131.287 -35.3598 6.39463 GPRESSURE: 87200 52.8012 -2.2627 65.0359 111.868 18.0718 74.2508 217.9 -0.902588 -38.343 PRESSAVG: 87200 -45.1916 8.86988 -12.1089 8.8699 19.7639 -11.3671 -12.1089 -11.367 -3.44243 GPRESSAVG: 87200 -45.4931 9.26562 -12.0894 7.52177 18.8871 -11.0527 -13.1697 -12.9493 -1.96149 TIMING: 87200 CPU: 276.599, 0.00317733/step Wall: 276.599, 0.00317733/step, 4.33599 hours remaining, 223.664062 MB of memory in use. ENERGY: 87200 3965.5872 20471.8148 14448.9113 267.5506 -203475.8427 2450.1687 0.0000 0.0000 52111.5874 -109760.2227 299.4860 -161871.8101 -109400.4668 298.6662 -15.2643 10.8433 760783.9683 -9.6233 -9.5225 PRESSURE: 87400 -318.874 -48.2893 -108.507 -48.2897 -140.981 -95.8526 -108.507 -95.8537 134.238 GPRESSURE: 87400 -268.472 -82.6599 -119.81 -143.217 -55.1702 -128.708 -140.618 -138.369 93.6114 PRESSAVG: 87400 -16.3651 -45.3952 -13.3907 -45.3951 43.841 -2.48319 -13.3908 -2.48315 -17.9772 GPRESSAVG: 87400 -16.248 -45.1511 -12.0853 -44.7756 44.4952 -2.39569 -13.4904 -0.18335 -18.8561 TIMING: 87400 CPU: 277.234, 0.00317339/step Wall: 277.234, 0.00317339/step, 4.33045 hours remaining, 223.664062 MB of memory in use. ENERGY: 87400 4041.3620 20532.4103 14411.0784 246.5342 -203280.4613 2167.2200 0.0000 0.0000 52043.5718 -109838.2846 299.0951 -161881.8564 -109476.7714 298.8332 -108.5388 -76.6770 761996.7768 3.1662 3.1304 PRESSURE: 87600 -214.416 -1.60706 241.805 -1.60688 -53.9358 237.765 241.806 237.766 6.34397 GPRESSURE: 87600 -189.82 12.7665 176.151 -46.0607 36.5118 226.423 85.3171 129.181 -14.3377 PRESSAVG: 87600 -6.69774 -14.022 -43.1357 -14.0219 -6.9271 -3.04876 -43.1357 -3.04873 13.6697 GPRESSAVG: 87600 -6.05609 -14.0208 -42.9267 -14.7016 -7.01549 -4.56626 -43.538 -0.900101 12.9887 TIMING: 87600 CPU: 277.873, 0.00319441/step Wall: 277.873, 0.00319441/step, 4.35896 hours remaining, 223.664062 MB of memory in use. ENERGY: 87600 3989.1127 20536.0308 14472.0660 235.2292 -203365.6566 2473.6493 0.0000 0.0000 51697.6890 -109961.8795 297.1073 -161659.5686 -109603.3157 298.9146 -87.3359 -55.8820 761276.7292 0.0149 -0.0276 PRESSURE: 87800 -180.596 -40.6312 -244.761 -40.6317 -43.707 -11.1591 -244.761 -11.1582 -83.541 GPRESSURE: 87800 -97.0731 -30.1493 -297.564 2.08422 -19.036 -5.02134 -167.081 -20.7403 -111.854 PRESSAVG: 87800 -21.4949 -65.3739 -36.1591 -65.3739 -30.0661 -30.3922 -36.1591 -30.3922 -14.4222 GPRESSAVG: 87800 -20.4971 -65.8984 -37.3149 -63.8202 -31.1661 -30.5851 -36.1038 -32.0435 -13.9661 TIMING: 87800 CPU: 278.507, 0.00317308/step Wall: 278.507, 0.00317308/step, 4.32967 hours remaining, 223.664062 MB of memory in use. ENERGY: 87800 3938.3393 20424.1225 14482.2484 232.7723 -203417.0020 2459.6572 0.0000 0.0000 52098.1348 -109781.7276 299.4087 -161879.8624 -109415.5221 298.3174 -102.6145 -75.9876 761935.3598 -21.9944 -21.8765 PRESSURE: 88000 170.34 -174.375 55.2179 -174.375 -229.619 27.0982 55.2182 27.0975 270.953 GPRESSURE: 88000 174.816 -236.152 28.3689 -184.553 -154.073 128.263 -18.2797 28.1398 275.242 PRESSAVG: 88000 36.1843 -34.4321 -77.5285 -34.4321 -35.5226 15.483 -77.5285 15.4831 -18.6358 GPRESSAVG: 88000 34.4319 -32.9754 -77.4199 -34.861 -33.9447 17.3789 -76.2969 13.7316 -18.6009 TIMING: 88000 CPU: 279.144, 0.0031834/step Wall: 279.144, 0.0031834/step, 4.34358 hours remaining, 223.664062 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: 88000 3926.9158 20546.8333 14479.9979 248.3111 -203291.6161 2299.4038 0.0000 0.0000 51903.9611 -109886.1931 298.2928 -161790.1541 -109528.7327 298.5941 70.5577 98.6616 760610.4048 -5.9914 -6.0379 PRESSURE: 88200 -126.628 -255.08 -229.27 -255.079 511.817 -316.114 -229.269 -316.114 -107.992 GPRESSURE: 88200 -94.9461 -290.247 -238.847 -246.891 483.85 -327.047 -94.99 -246.467 -39.3453 PRESSAVG: 88200 16.7835 1.7153 -57.8881 1.71528 6.19501 -11.6962 -57.888 -11.6963 17.2885 GPRESSAVG: 88200 18.2129 -0.329244 -57.123 1.54357 5.27414 -13.9837 -59.0468 -8.50619 17.1407 TIMING: 88200 CPU: 279.783, 0.00319476/step Wall: 279.783, 0.00319476/step, 4.3589 hours remaining, 223.664062 MB of memory in use. ENERGY: 88200 3941.0417 20638.0944 14460.6160 245.4586 -203016.0420 2226.8328 0.0000 0.0000 51737.4940 -109766.5045 297.3361 -161503.9985 -109405.1334 298.5788 92.3991 116.5195 759688.3208 13.4223 13.5426 LDB: ============= START OF LOAD BALANCING ============== 292.21 LDB: ============== END OF LOAD BALANCING =============== 292.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 292.212 LDB: ============= START OF LOAD BALANCING ============== 292.532 LDB: Largest compute 7033 load 0.036140 is 18.6% of average load 0.194513 LDB: Average compute 0.004407 is 2.3% of average load 0.194513 LDB: TIME 292.535 LOAD: AVG 0.194513 MAX 0.20964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.418 MB LDB: TIME 292.536 LOAD: AVG 0.194513 MAX 0.20964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.516 MB LDB: TIME 292.536 LOAD: AVG 0.194513 MAX 0.20964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.516 MB LDB: ============== END OF LOAD BALANCING =============== 292.538 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 292.543 PRESSURE: 88400 154.642 34.2604 69.6075 34.2603 28.6315 103.822 69.6086 103.821 70.952 GPRESSURE: 88400 189.262 68.7429 108.001 59.0715 42.2899 37.1768 19.3711 151.326 114.118 PRESSAVG: 88400 -2.92013 -14.3784 -46.0434 -14.3784 -3.51859 -37.3727 -46.0435 -37.3727 -21.745 GPRESSAVG: 88400 -3.76588 -15.3169 -44.767 -12.7317 -3.83389 -36.3149 -47.4926 -39.3512 -20.7281 TIMING: 88400 CPU: 280.437, 0.00327079/step Wall: 280.437, 0.00327079/step, 4.46245 hours remaining, 222.750000 MB of memory in use. ENERGY: 88400 4013.6689 20433.9858 14503.2468 243.2853 -203484.2594 2557.2793 0.0000 0.0000 52066.9356 -109665.8577 299.2294 -161732.7933 -109315.8913 298.5373 84.7417 115.2234 760029.2323 -9.3946 -9.4426 PRESSURE: 88600 -272.683 -81.4975 -77.4996 -81.4979 -367.1 -29.2617 -77.5004 -29.262 -454.844 GPRESSURE: 88600 -195.207 -17.2625 -86.0055 -97.2555 -364.335 -21.0943 -48.9274 -84.8488 -459.769 PRESSAVG: 88600 29.4349 -16.2206 24.2527 -16.2206 -17.5004 12.2307 24.2527 12.2307 -1.42436 GPRESSAVG: 88600 29.9753 -13.8897 22.4103 -17.4818 -17.5627 12.9875 26.6135 12.0836 -2.69918 TIMING: 88600 CPU: 281.077, 0.00320004/step Wall: 281.077, 0.00320004/step, 4.36575 hours remaining, 222.949219 MB of memory in use. ENERGY: 88600 3943.4603 20387.5996 14499.7040 234.9850 -202623.3744 1996.7208 0.0000 0.0000 51855.6532 -109705.2516 298.0152 -161560.9048 -109341.1110 298.5873 -364.8759 -339.7702 760892.9481 3.5034 3.2378 PRESSURE: 88800 3.00664 57.9928 115.84 57.9935 -13.5431 -287.087 115.84 -287.088 181.159 GPRESSURE: 88800 80.3525 133.027 37.359 -132.595 6.9148 -265.995 81.8095 -215.555 157.636 PRESSAVG: 88800 -24.13 -10.4731 2.64217 -10.473 22.7354 -69.461 2.64221 -69.4611 3.27699 GPRESSAVG: 88800 -24.7134 -9.51007 2.52972 -12.1341 21.9468 -70.6683 1.15575 -69.9402 5.00733 TIMING: 88800 CPU: 281.713, 0.00317701/step Wall: 281.713, 0.00317701/step, 4.33415 hours remaining, 222.949219 MB of memory in use. ENERGY: 88800 3946.6449 20468.3634 14573.0720 246.4207 -203214.4703 2370.2810 0.0000 0.0000 52102.3836 -109507.3045 299.4331 -161609.6881 -109150.9256 298.6622 56.8744 81.6345 760893.7880 0.6275 0.7469 PRESSURE: 89000 -19.718 87.1217 28.6047 87.1214 -273.779 31.1474 28.6035 31.1472 237.371 GPRESSURE: 89000 21.6254 10.3583 63.8914 53.3319 -222.271 20.5125 116.235 254.633 238.976 PRESSAVG: 89000 -5.5718 -10.0893 20.876 -10.0893 -46.3787 33.1737 20.8759 33.1737 16.4807 GPRESSAVG: 89000 -5.30175 -12.4426 21.2287 -9.25946 -44.5643 34.2111 20.2614 36.1701 14.1281 TIMING: 89000 CPU: 282.351, 0.00319225/step Wall: 282.351, 0.00319225/step, 4.35476 hours remaining, 222.949219 MB of memory in use. ENERGY: 89000 4019.1754 20489.2051 14530.2524 255.5610 -203211.4699 2478.0690 0.0000 0.0000 52035.1382 -109404.0688 299.0467 -161439.2070 -109052.3701 299.5347 -18.7087 12.7766 761549.1956 -11.8233 -11.9127 PRESSURE: 89200 9.4963 -104.689 -54.4838 -104.688 -345.41 -92.0233 -54.4848 -92.0241 11.1969 GPRESSURE: 89200 18.7218 -119.337 -151.441 -66.7563 -287.193 -44.5077 -26.6247 -79.4617 15.8914 PRESSAVG: 89200 -12.2035 -26.0512 34.0611 -26.0511 14.2215 26.1187 34.0611 26.1187 -5.84967 GPRESSAVG: 89200 -12.1479 -25.8228 34.8742 -27.1225 12.8734 24.6497 34.2004 26.1194 -4.05401 TIMING: 89200 CPU: 282.984, 0.00316557/step Wall: 282.984, 0.00316557/step, 4.31819 hours remaining, 222.949219 MB of memory in use. ENERGY: 89200 3980.4080 20677.6192 14493.8744 235.0109 -203354.9187 2370.9435 0.0000 0.0000 52169.0234 -109428.0393 299.8161 -161597.0627 -109069.9820 299.5757 -108.2390 -84.1932 760532.3785 -1.2772 -1.1095 PRESSURE: 89400 116.073 -147.218 127.187 -147.218 436.861 145.607 127.187 145.606 209.998 GPRESSURE: 89400 85.7201 8.63548 125.336 -230.348 500.134 157.165 41.5015 -3.13161 254.642 PRESSAVG: 89400 12.4545 -27.3192 40.5293 -27.3191 13.8857 58.9931 40.5293 58.9931 2.54981 GPRESSAVG: 89400 11.3861 -28.8729 41.5337 -25.0053 14.613 59.6175 40.1141 58.2113 2.94827 TIMING: 89400 CPU: 283.619, 0.00317257/step Wall: 283.619, 0.00317257/step, 4.32757 hours remaining, 222.949219 MB of memory in use. ENERGY: 89400 3981.3432 20331.9796 14559.8337 244.5168 -203595.2429 2853.3781 0.0000 0.0000 52107.2034 -109516.9881 299.4608 -161624.1915 -109150.5638 299.5311 254.3109 280.1654 760329.9128 9.6300 9.6492 PRESSURE: 89600 -435.13 -19.5774 -35.5363 -19.5776 -422.777 -104.602 -35.5364 -104.602 -414.343 GPRESSURE: 89600 -413.303 -73.298 -67.5673 8.25875 -325.539 -111.577 16.8789 -70.6415 -450.548 PRESSAVG: 89600 -35.5127 11.4198 -25.9512 11.4198 37.3356 6.23424 -25.9511 6.23423 7.77649 GPRESSAVG: 89600 -34.4835 12.7572 -25.5821 10.074 37.7472 5.34155 -23.9183 6.26194 6.04002 TIMING: 89600 CPU: 284.258, 0.00319439/step Wall: 284.258, 0.00319439/step, 4.35715 hours remaining, 222.949219 MB of memory in use. ENERGY: 89600 4120.4732 20614.3238 14452.2618 240.7004 -203345.1359 2392.6234 0.0000 0.0000 52163.4364 -109361.3168 299.7840 -161524.7532 -109002.8358 299.9577 -424.0831 -396.4631 761071.0245 3.1998 3.1012 PRESSURE: 89800 -6.51821 -24.0294 124.229 -24.0302 429.381 -114.029 124.228 -114.028 306.622 GPRESSURE: 89800 99.6826 -19.1111 199.44 -111.484 457.571 -75.1772 211.664 -98.4583 251.541 PRESSAVG: 89800 -37.3624 -47.007 1.36489 -47.0069 36.9608 1.03622 1.3649 1.03624 24.0098 GPRESSAVG: 89800 -38.9142 -47.4924 0.625953 -46.71 36.2405 1.70611 -0.0131833 1.04694 25.5149 TIMING: 89800 CPU: 284.9, 0.00321061/step Wall: 284.9, 0.00321061/step, 4.37909 hours remaining, 222.949219 MB of memory in use. ENERGY: 89800 3873.1173 20466.9177 14572.6896 245.9296 -203711.3994 2806.7072 0.0000 0.0000 52318.5143 -109427.5238 300.6752 -161746.0380 -109059.8010 299.6932 243.1617 269.5981 760974.7561 7.8694 7.6137 PRESSURE: 90000 -350.162 -200.437 147.387 -200.437 -428.402 71.5349 147.387 71.5344 -219.478 GPRESSURE: 90000 -278.915 -164.508 235.671 -286.8 -368.613 127.995 35.2276 135.23 -244.709 PRESSAVG: 90000 1.45242 -51.0792 34.4967 -51.0791 27.5538 -16.6037 34.4968 -16.6037 -9.93739 GPRESSAVG: 90000 2.79969 -49.1467 35.9051 -52.0481 26.6153 -16.6591 34.3316 -16.1255 -9.8845 TIMING: 90000 CPU: 285.543, 0.00321643/step Wall: 285.543, 0.00321643/step, 4.38685 hours remaining, 222.949219 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: 90000 4052.0802 20473.1985 14438.9252 246.0934 -203207.4354 2254.6281 0.0000 0.0000 52383.0848 -109359.4251 301.0463 -161742.5099 -108993.0230 300.0655 -332.6808 -297.4125 761340.7674 6.3563 6.5102 PRESSURE: 90200 -279.829 75.6652 -15.4221 75.6647 -104.375 -226.527 -15.4232 -226.528 34.8207 GPRESSURE: 90200 -230.486 70.7089 71.6276 41.4572 21.8859 -164.294 -12.7196 -151.825 -64.4397 PRESSAVG: 90200 -11.44 0.488585 5.91574 0.488562 -17.695 15.4988 5.9157 15.4987 11.0697 GPRESSAVG: 90200 -11.3837 -1.09729 5.8605 1.60147 -16.238 16.3371 5.38185 14.2966 9.48005 TIMING: 90200 CPU: 286.19, 0.00323643/step Wall: 286.19, 0.00323643/step, 4.41395 hours remaining, 222.949219 MB of memory in use. ENERGY: 90200 3972.9263 20556.4526 14504.8317 232.0866 -203225.4853 2328.8002 0.0000 0.0000 52266.2073 -109364.1807 300.3746 -161630.3880 -108996.3437 299.8034 -116.4612 -91.0133 761961.2770 -6.0218 -6.0472 PRESSURE: 90400 -252.071 -192.675 102.722 -192.675 -262.66 115.789 102.722 115.788 -35.7392 GPRESSURE: 90400 -198.609 -44.3095 109.934 -102.632 -219.95 148.552 116.145 100.353 -54.7985 PRESSAVG: 90400 14.2766 -21.7881 -36.4207 -21.788 -51.7834 -10.0935 -36.4207 -10.0935 -1.81966 GPRESSAVG: 90400 14.3822 -20.9195 -38.0768 -21.6791 -53.309 -9.64992 -35.48 -9.75147 -1.24688 TIMING: 90400 CPU: 286.837, 0.00323092/step Wall: 286.837, 0.00323092/step, 4.40626 hours remaining, 222.949219 MB of memory in use. ENERGY: 90400 3991.5758 20533.2497 14486.2616 247.7188 -203277.9677 2227.3338 0.0000 0.0000 52146.5035 -109645.3246 299.6867 -161791.8280 -109278.1508 299.4036 -183.4900 -157.7855 760956.6571 -13.1088 -13.3912 PRESSURE: 90600 -0.220775 -87.6602 -57.1847 -87.66 -393.825 0.627828 -57.184 0.62787 -262.379 GPRESSURE: 90600 -16.6659 -58.7968 43.0884 8.84452 -295.571 -59.3807 22.5045 -83.62 -267.249 PRESSAVG: 90600 52.3214 -62.5665 18.7729 -62.5665 -28.8908 -14.2204 18.773 -14.2205 2.507 GPRESSAVG: 90600 51.5012 -61.1867 18.7331 -64.1306 -28.1662 -14.9304 20.1718 -15.5097 2.55138 TIMING: 90600 CPU: 287.476, 0.00319537/step Wall: 287.476, 0.00319537/step, 4.3576 hours remaining, 222.949219 MB of memory in use. ENERGY: 90600 3982.7542 20627.4875 14443.3474 227.3796 -203363.1488 2413.8235 0.0000 0.0000 52068.7373 -109599.6194 299.2397 -161668.3567 -109230.3460 299.3222 -218.8084 -193.1618 760406.3157 8.6459 8.6288 PRESSURE: 90800 16.3891 -121.617 150.597 -121.616 59.2776 -227.583 150.597 -227.583 511.468 GPRESSURE: 90800 -13.4009 -246.3 79.3581 -96.2849 204.997 -214.523 120.191 -170.255 475.458 PRESSAVG: 90800 -6.17719 -81.9348 1.96558 -81.9349 -13.3288 -44.4027 1.96554 -44.4027 -14.7069 GPRESSAVG: 90800 -6.50748 -84.4839 2.23661 -80.2466 -12.9249 -45.9515 -0.275357 -42.4533 -14.8151 TIMING: 90800 CPU: 288.116, 0.00320054/step Wall: 288.116, 0.00320054/step, 4.36447 hours remaining, 222.949219 MB of memory in use. ENERGY: 90800 4013.1185 20572.7400 14475.2111 247.4157 -203324.4521 2454.4243 0.0000 0.0000 52221.5913 -109339.9513 300.1182 -161561.5426 -108968.4882 299.4035 195.7116 222.3515 761373.0966 -11.4043 -11.4158 PRESSURE: 91000 401.5 -108.562 120.78 -108.563 137.665 210.284 120.781 210.282 58.1677 GPRESSURE: 91000 431.723 -24.2021 167.902 -140.616 42.6237 189.018 116.401 256.605 202.217 PRESSAVG: 91000 2.86217 -63.1645 15.4518 -63.1646 -9.31983 2.41298 15.4518 2.41289 13.7954 GPRESSAVG: 91000 3.22331 -63.7901 16.0049 -63.3315 -8.8579 2.55239 18.0698 2.80266 13.3084 TIMING: 91000 CPU: 288.754, 0.00319183/step Wall: 288.754, 0.00319183/step, 4.35242 hours remaining, 222.949219 MB of memory in use. ENERGY: 91000 3966.7215 20582.1672 14442.3911 263.6409 -203237.0434 2538.2107 0.0000 0.0000 52139.1572 -109304.7549 299.6445 -161443.9121 -108942.7989 300.1663 199.1110 225.5213 760536.0385 2.4459 2.5580 PRESSURE: 91200 -210.129 94.7693 227.802 94.7692 129.188 60.6582 227.802 60.659 -82.8584 GPRESSURE: 91200 -163.764 100.27 256.181 112.836 143.175 31.5498 209.927 14.5922 -47.9968 PRESSAVG: 91200 12.8259 -86.3432 17.5173 -86.3432 -4.69024 50.3176 17.5173 50.3175 -14.1225 GPRESSAVG: 91200 12.7621 -86.3555 16.3209 -84.8576 -5.86775 50.5398 16.6333 48.0285 -12.6841 TIMING: 91200 CPU: 289.391, 0.00318376/step Wall: 289.391, 0.00318376/step, 4.34124 hours remaining, 222.949219 MB of memory in use. ENERGY: 91200 3956.3339 20482.9069 14438.7047 246.7733 -203016.1087 2312.5647 0.0000 0.0000 52145.7495 -109433.0756 299.6823 -161578.8251 -109063.7143 299.9092 -54.5999 -22.8618 760923.9620 -1.9956 -1.9299 PRESSURE: 91400 -204.79 8.74957 37.0758 8.75021 -145.655 45.9849 37.0749 45.9861 -137.779 GPRESSURE: 91400 -209.605 -30.3109 9.19374 -35.1593 -48.3046 113.162 126.503 -46.0123 -108.562 PRESSAVG: 91400 33.2461 -31.1833 59.3728 -31.1832 32.0551 -12.1127 59.3727 -12.1127 7.36655 GPRESSAVG: 91400 32.0596 -31.2414 59.5087 -32.8728 33.7324 -11.7447 60.0548 -11.4865 6.87122 TIMING: 91400 CPU: 290.031, 0.00320303/step Wall: 290.031, 0.00320303/step, 4.36733 hours remaining, 222.949219 MB of memory in use. ENERGY: 91400 3980.1313 20516.5906 14384.4296 234.2568 -203083.8066 2305.4640 0.0000 0.0000 52079.6682 -109583.2662 299.3026 -161662.9344 -109220.1495 299.3035 -162.7414 -122.1570 760352.9319 24.2226 24.2211 PRESSURE: 91600 45.3711 -53.3491 -135.522 -53.349 -281.473 -72.7507 -135.523 -72.7517 -131.02 GPRESSURE: 91600 38.9762 -152.113 -120.644 -38.3866 -170.659 -119.369 -112.427 -118.233 -149.89 PRESSAVG: 91600 38.3016 -36.534 -8.27112 -36.534 -4.7743 -37.2379 -8.27112 -37.2379 -14.1128 GPRESSAVG: 91600 38.277 -36.6034 -10.0488 -36.7168 -5.18326 -37.2424 -8.40165 -38.1513 -13.9877 TIMING: 91600 CPU: 290.67, 0.00319304/step Wall: 290.67, 0.00319304/step, 4.35353 hours remaining, 222.949219 MB of memory in use. ENERGY: 91600 3989.1700 20537.8767 14406.4909 240.7771 -203250.4910 2272.4690 0.0000 0.0000 52192.7773 -109610.9299 299.9526 -161803.7073 -109242.0791 298.9059 -122.3739 -93.8578 761780.1736 6.4715 6.3687 PRESSURE: 91800 22.9097 46.7931 -85.6942 46.7924 -37.6121 -280.262 -85.6947 -280.261 172.22 GPRESSURE: 91800 31.7569 -129.598 -27.4949 50.7674 6.63524 -300.429 13.1549 -124.654 196.995 PRESSAVG: 91800 32.6779 -58.5437 -11.1958 -58.5438 -5.57644 -57.7911 -11.1958 -57.7911 -9.85847 GPRESSAVG: 91800 34.4665 -57.6398 -10.1105 -60.0079 -7.31118 -57.0803 -12.3389 -57.108 -9.49605 TIMING: 91800 CPU: 291.307, 0.00318526/step Wall: 291.307, 0.00318526/step, 4.34274 hours remaining, 222.949219 MB of memory in use. ENERGY: 91800 4017.5896 20589.8325 14440.6432 244.0996 -202773.5244 2021.8974 0.0000 0.0000 51987.8426 -109471.6197 298.7748 -161459.4622 -109112.6460 299.1539 52.5057 78.4622 760431.6192 5.7477 5.8864 PRESSURE: 92000 66.7299 -182.043 177.164 -182.043 11.0574 29.0809 177.163 29.0811 44.8835 GPRESSURE: 92000 40.7663 -109.15 145.963 -121.191 108.765 -47.1372 136.395 66.3921 62.7147 PRESSAVG: 92000 9.01751 -30.1872 57.9286 -30.1872 31.0024 -55.9893 57.9286 -55.9893 -6.9402 GPRESSAVG: 92000 8.69155 -30.668 56.8331 -30.2965 32.3206 -55.3918 59.6582 -56.2822 -8.19061 TIMING: 92000 CPU: 291.944, 0.00318669/step Wall: 291.944, 0.00318669/step, 4.34452 hours remaining, 222.949219 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: 92000 3911.8866 20542.1085 14456.8422 246.2841 -203263.8510 2245.7320 0.0000 0.0000 52399.4883 -109461.5092 301.1406 -161860.9975 -109098.4417 299.3975 40.8903 70.7488 759808.8393 11.0266 10.9405 PRESSURE: 92200 50.0127 131.791 -148.931 131.791 228.868 -43.3159 -148.931 -43.3153 -84.4197 GPRESSURE: 92200 126.198 105.985 -89.9358 199.459 277.816 17.1665 -272.529 -27.6848 -123.146 PRESSAVG: 92200 18.0302 -8.21688 -23.78 -8.21692 -41.1531 -62.548 -23.78 -62.5479 1.0429 GPRESSAVG: 92200 18.3339 -6.7916 -22.513 -7.81054 -41.3391 -63.2392 -25.0596 -61.1477 1.39055 TIMING: 92200 CPU: 292.58, 0.00318017/step Wall: 292.58, 0.00318017/step, 4.33545 hours remaining, 222.949219 MB of memory in use. ENERGY: 92200 4002.6004 20537.0381 14478.2254 266.9833 -203775.1687 2843.2794 0.0000 0.0000 52229.6403 -109417.4017 300.1645 -161647.0421 -109057.2554 299.7360 64.8204 93.6225 760098.3762 -7.3600 -7.2049 LDB: ============= START OF LOAD BALANCING ============== 305.004 LDB: ============== END OF LOAD BALANCING =============== 305.004 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 305.006 LDB: ============= START OF LOAD BALANCING ============== 305.328 LDB: Largest compute 7033 load 0.037034 is 19.0% of average load 0.194618 LDB: Average compute 0.004423 is 2.3% of average load 0.194618 LDB: TIME 305.331 LOAD: AVG 0.194618 MAX 0.22015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.57 MB LDB: TIME 305.332 LOAD: AVG 0.194618 MAX 0.22015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.57 MB LDB: TIME 305.332 LOAD: AVG 0.194618 MAX 0.216077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.57 MB LDB: ============== END OF LOAD BALANCING =============== 305.335 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 305.339 PRESSURE: 92400 -35.3195 -264.465 -204.351 -264.465 60.3052 -341.93 -204.351 -341.931 -113.441 GPRESSURE: 92400 50.1837 -224.512 -217.489 -168.479 13.4928 -361.789 -190.238 -280.107 -88.1948 PRESSAVG: 92400 23.715 28.3998 -54.7604 28.3998 -14.9155 -47.5479 -54.7604 -47.5479 30.5637 GPRESSAVG: 92400 24.039 25.7052 -54.9273 29.4731 -16.0847 -47.8479 -53.1358 -48.719 31.2678 TIMING: 92400 CPU: 293.233, 0.00326312/step Wall: 293.233, 0.00326312/step, 4.44836 hours remaining, 221.851562 MB of memory in use. ENERGY: 92400 4010.6487 20564.9179 14546.3556 260.1212 -203483.1546 2694.2239 0.0000 0.0000 51854.2929 -109552.5945 298.0073 -161406.8875 -109194.3888 299.3791 -29.4852 -8.1728 762359.2598 13.1210 13.0740 PRESSURE: 92600 -140.578 -265.174 79.0106 -265.174 245.709 -99.0146 79.0106 -99.0149 -389.533 GPRESSURE: 92600 -156.536 -166.904 80.0438 -85.3316 222.783 -83.8814 206.454 -127.487 -264.234 PRESSAVG: 92600 -19.4801 -65.8358 -45.01 -65.8358 33.7995 -23.7799 -45.01 -23.7799 -0.371096 GPRESSAVG: 92600 -20.0262 -64.1074 -45.0406 -64.5913 35.1635 -24.2141 -46.5156 -24.3024 -1.25171 TIMING: 92600 CPU: 293.876, 0.00321555/step Wall: 293.876, 0.00321555/step, 4.38334 hours remaining, 222.054688 MB of memory in use. ENERGY: 92600 4025.3344 20567.1839 14460.8793 248.5856 -203368.2175 2367.0961 0.0000 0.0000 52068.3589 -109630.7793 299.2376 -161699.1382 -109256.6850 299.2109 -94.8006 -65.9956 763181.9773 4.6494 4.6285 PRESSURE: 92800 -111.384 -212.254 -133.106 -212.255 -133.943 -20.734 -133.105 -20.7351 -45.3338 GPRESSURE: 92800 -158.52 -231.382 -104.531 -206.274 -2.519 -19.4482 -91.9352 95.4805 -36.3045 PRESSAVG: 92800 -42.3199 -54.0034 -17.2946 -54.0035 49.2717 -54.3827 -17.2945 -54.3828 -15.5289 GPRESSAVG: 92800 -42.4977 -54.2125 -15.6394 -55.2076 48.8371 -53.1203 -18.0374 -54.2602 -15.0134 TIMING: 92800 CPU: 294.514, 0.00319032/step Wall: 294.514, 0.00319032/step, 4.34876 hours remaining, 222.054688 MB of memory in use. ENERGY: 92800 3970.5507 20639.1431 14400.8338 252.5140 -203519.5635 2616.3640 0.0000 0.0000 51902.9761 -109737.1818 298.2871 -161640.1579 -109378.9996 299.2802 -96.8872 -65.7811 761295.5615 -2.8590 -2.8913 PRESSURE: 93000 -17.0813 -169.716 173.432 -169.716 -90.6357 -111.589 173.432 -111.589 -182.679 GPRESSURE: 93000 23.693 -221.879 175.321 -173.613 -47.369 -116.076 42.7818 -110.029 -197.907 PRESSAVG: 93000 25.0401 -21.8282 20.3916 -21.8282 14.7863 -21.3214 20.3916 -21.3213 3.14328 GPRESSAVG: 93000 25.0612 -21.58 18.2456 -19.4066 13.929 -23.8045 22.037 -19.7208 4.07161 TIMING: 93000 CPU: 295.152, 0.00318907/step Wall: 295.152, 0.00318907/step, 4.34688 hours remaining, 222.054688 MB of memory in use. ENERGY: 93000 4020.9964 20527.6477 14494.2603 245.8206 -203516.8974 2414.6983 0.0000 0.0000 51837.0287 -109976.4454 297.9081 -161813.4741 -109612.9137 298.7904 -96.7986 -73.8611 759383.2663 14.3232 14.3539 PRESSURE: 93200 -51.7682 157.45 -12.9739 157.45 -147.12 171.315 -12.9744 171.315 106.554 GPRESSURE: 93200 -85.8375 111.012 -15.6837 109.338 -105.787 218.933 52.63 -1.45281 175.418 PRESSAVG: 93200 10.4835 -71.854 47.9413 -71.854 7.34001 -18.3494 47.9413 -18.3494 5.65075 GPRESSAVG: 93200 10.006 -71.4203 48.653 -75.3729 9.80782 -17.4272 46.5263 -18.8037 3.77424 TIMING: 93200 CPU: 295.797, 0.00322489/step Wall: 295.797, 0.00322489/step, 4.39552 hours remaining, 222.054688 MB of memory in use. ENERGY: 93200 4047.2819 20309.9414 14376.7702 264.8468 -203305.5474 2428.4663 0.0000 0.0000 52004.2312 -109874.0096 298.8690 -161878.2408 -109515.1396 298.7211 -30.7781 -5.4021 760742.7404 7.8247 7.8627 PRESSURE: 93400 -5.42645 -70.137 44.0782 -70.1359 439.542 20.1353 44.0779 20.1367 273.468 GPRESSURE: 93400 67.8089 13.4631 13.0944 -164.83 484.884 15.5718 28.7184 58.1051 260.082 PRESSAVG: 93400 -7.42666 -38.6613 -16.3419 -38.6612 19.2591 45.7382 -16.3419 45.7383 5.9833 GPRESSAVG: 93400 -5.36351 -40.4733 -17.2368 -36.578 16.6618 46.0748 -15.3654 45.9345 6.85863 TIMING: 93400 CPU: 296.44, 0.00321249/step Wall: 296.44, 0.00321249/step, 4.37845 hours remaining, 222.054688 MB of memory in use. ENERGY: 93400 3937.9978 20403.4113 14462.6707 259.3412 -203010.7599 2405.8662 0.0000 0.0000 51762.7276 -109778.7452 297.4811 -161541.4728 -109415.7455 298.3857 235.8613 270.9250 761483.1671 5.9386 6.0523 PRESSURE: 93600 88.4473 -109.189 123.626 -109.189 85.2254 56.9086 123.625 56.9076 114.048 GPRESSURE: 93600 83.1325 25.8537 151.366 -28.0584 85.4914 99.7333 -65.6369 64.4553 219.629 PRESSAVG: 93600 -3.94487 -20.1707 -8.00303 -20.1707 40.9463 -11.1354 -8.00308 -11.1355 5.7859 GPRESSAVG: 93600 -5.43509 -17.0653 -7.23622 -21.3163 41.2494 -11.1144 -9.54243 -12.0005 6.77332 TIMING: 93600 CPU: 297.077, 0.00318606/step Wall: 297.077, 0.00318606/step, 4.34224 hours remaining, 222.054688 MB of memory in use. ENERGY: 93600 3993.8172 20522.5082 14430.3802 246.2610 -203321.7523 2523.1843 0.0000 0.0000 52029.7494 -109575.8521 299.0157 -161605.6015 -109221.5950 299.0294 95.9070 129.4176 759451.0025 14.2624 14.1959 PRESSURE: 93800 -186.343 25.1452 -26.74 25.1447 -266.955 -400.958 -26.7394 -400.958 -145.889 GPRESSURE: 93800 -155.94 -59.0368 -55.5289 123.168 -341.53 -374.697 -112.498 -227.929 -29.3862 PRESSAVG: 93800 28.0438 -1.91658 20.2033 -1.9166 -64.4465 -22.228 20.2034 -22.228 3.09036 GPRESSAVG: 93800 28.9061 -3.22195 21.6598 0.770233 -64.8018 -22.0086 18.0938 -21.5919 1.88751 TIMING: 93800 CPU: 297.724, 0.0032379/step Wall: 297.724, 0.0032379/step, 4.41272 hours remaining, 222.054688 MB of memory in use. ENERGY: 93800 4008.8487 20635.5586 14494.3479 232.4625 -203368.2110 2461.1938 0.0000 0.0000 51999.8504 -109535.9492 298.8439 -161535.7996 -109184.0694 299.0302 -199.7290 -175.6186 762575.9363 -11.1041 -11.3360 PRESSURE: 94000 -57.7064 -88.0338 -66.2786 -88.0332 -147.935 -341.699 -66.2786 -341.7 -427.154 GPRESSURE: 94000 -26.1622 -66.3867 -29.1186 39.9013 -74.0144 -417.418 66.5985 -226.413 -454.337 PRESSAVG: 94000 67.2436 -48.2165 7.9589 -48.2165 -68.9857 -55.9501 7.95892 -55.9501 -3.29215 GPRESSAVG: 94000 66.2638 -48.6746 8.55351 -48.7462 -67.0236 -54.6949 10.4377 -56.6611 -3.9302 TIMING: 94000 CPU: 298.374, 0.0032506/step Wall: 298.374, 0.0032506/step, 4.42985 hours remaining, 222.054688 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: 94000 3959.9763 20627.9670 14476.2861 241.3409 -202921.8320 2309.4894 0.0000 0.0000 51761.6131 -109545.1593 297.4747 -161306.7724 -109184.6249 299.2023 -210.9319 -184.8380 763767.6738 -1.6781 -1.5633 PRESSURE: 94200 -231.278 -97.6488 152.407 -97.649 93.4999 55.5308 152.408 55.531 -310.592 GPRESSURE: 94200 -140.682 -23.7219 194.415 -49.5572 181.839 15.3112 93.078 63.6718 -389.943 PRESSAVG: 94200 34.5977 -23.1324 -8.5671 -23.1324 -45.1473 -27.8638 -8.56715 -27.8638 -30.3385 GPRESSAVG: 94200 36.4118 -22.8892 -10.069 -23.1287 -46.6391 -29.9411 -10.6324 -27.2937 -30.7158 TIMING: 94200 CPU: 299.02, 0.00322942/step Wall: 299.02, 0.00322942/step, 4.4008 hours remaining, 222.054688 MB of memory in use. ENERGY: 94200 4006.4059 20383.7440 14452.1171 259.6621 -203251.2806 2384.6711 0.0000 0.0000 52103.5280 -109661.1525 299.4397 -161764.6804 -109302.9912 298.9679 -149.4569 -116.2621 760673.4623 -13.6294 -13.6477 PRESSURE: 94400 384.944 -46.8832 -41.5101 -46.8841 29.4524 97.9096 -41.5101 97.9099 220.722 GPRESSURE: 94400 344.493 -166.805 -8.12746 -128.917 93.3481 102.932 62.922 17.225 282.547 PRESSAVG: 94400 19.8069 26.6249 -8.85945 26.6249 -16.3884 -20.8397 -8.85938 -20.8397 1.80749 GPRESSAVG: 94400 18.1334 24.076 -9.19822 26.0038 -15.223 -19.9011 -6.17746 -20.8694 1.84621 TIMING: 94400 CPU: 299.662, 0.0032097/step Wall: 299.662, 0.0032097/step, 4.37375 hours remaining, 222.054688 MB of memory in use. ENERGY: 94400 4041.8754 20355.9485 14490.0150 234.9161 -203403.3481 2745.8912 0.0000 0.0000 51845.7985 -109688.9035 297.9585 -161534.7019 -109334.8244 299.0427 211.7061 240.1294 759692.8684 1.7420 1.5855 PRESSURE: 94600 -121.598 -115.202 -146.69 -115.203 -162.922 -167.851 -146.689 -167.852 146.171 GPRESSURE: 94600 -176.879 -111.419 -152.508 -29.4543 -84.3111 -132.082 -88.8223 -174.522 213.748 PRESSAVG: 94600 -38.6028 -49.327 -8.89483 -49.327 19.5023 -69.9887 -8.89492 -69.9887 -3.82531 GPRESSAVG: 94600 -37.5738 -46.2202 -9.48012 -49.5971 18.2987 -69.2531 -10.5433 -70.9033 -2.79896 TIMING: 94600 CPU: 300.305, 0.00321252/step Wall: 300.305, 0.00321252/step, 4.37742 hours remaining, 222.054688 MB of memory in use. ENERGY: 94600 3934.2879 20516.8307 14422.6102 259.8375 -203298.1348 2500.9824 0.0000 0.0000 51952.8796 -109710.7065 298.5739 -161663.5861 -109352.7347 298.6557 -46.1162 -15.8140 760762.5809 -7.6419 -7.3580 PRESSURE: 94800 -29.9749 132.707 318.22 132.706 148.088 -53.5779 318.221 -53.5772 339.11 GPRESSURE: 94800 -22.6713 106.742 244.414 34.5536 184.528 -91.8739 233.945 -107.373 382.154 PRESSAVG: 94800 -4.20432 -29.0285 -12.2443 -29.0285 25.4054 -26.1359 -12.2443 -26.1359 -4.08422 GPRESSAVG: 94800 -3.82049 -31.5393 -12.0732 -29.8684 26.0573 -26.5132 -9.67739 -25.6785 -4.48075 TIMING: 94800 CPU: 300.948, 0.00321371/step Wall: 300.948, 0.00321371/step, 4.37885 hours remaining, 222.054688 MB of memory in use. ENERGY: 94800 3945.0409 20644.7693 14392.2413 252.2406 -203297.9044 2346.6575 0.0000 0.0000 52033.1313 -109683.8236 299.0351 -161716.9549 -109324.4205 299.2361 152.4077 181.3367 761164.0184 5.7056 5.9187 PRESSURE: 95000 87.1016 208.24 187.635 208.24 -11.3644 81.6481 187.634 81.6482 154.433 GPRESSURE: 95000 101.813 164.968 177.567 198.811 0.155192 -34.6104 42.6967 163.528 211.846 PRESSAVG: 95000 -12.0584 2.44558 10.7912 2.44561 16.16 -6.65557 10.7913 -6.65561 -3.31081 GPRESSAVG: 95000 -13.0177 5.51704 8.86494 1.34784 16.2972 -5.46037 8.68564 -6.21588 -2.86433 TIMING: 95000 CPU: 301.584, 0.00318262/step Wall: 301.584, 0.00318262/step, 4.33632 hours remaining, 222.054688 MB of memory in use. ENERGY: 95000 3913.7988 20605.1517 14402.3709 267.4127 -203473.9600 2603.5543 0.0000 0.0000 52113.3146 -109568.3570 299.4959 -161681.6715 -109211.7836 298.7540 76.7234 104.6049 762320.6237 0.2636 0.1384 PRESSURE: 95200 -22.0097 -52.0194 35.8288 -52.0192 135.174 86.7262 35.8283 86.7261 84.429 GPRESSURE: 95200 66.8632 46.1693 79.2279 59.4921 178.264 66.1221 116.679 77.5399 37.4295 PRESSAVG: 95200 -48.3121 -26.7715 38.8766 -26.7715 32.3725 24.0177 38.8766 24.0178 14.9003 GPRESSAVG: 95200 -47.9547 -26.9342 40.073 -25.1208 32.1665 21.8821 37.9816 22.5958 13.7826 TIMING: 95200 CPU: 302.214, 0.00314815/step Wall: 302.214, 0.00314815/step, 4.28918 hours remaining, 222.054688 MB of memory in use. ENERGY: 95200 4048.3163 20364.0921 14380.9059 226.1553 -203506.9045 2690.3647 0.0000 0.0000 52093.0097 -109704.0605 299.3792 -161797.0702 -109339.5978 299.1408 65.8646 94.1854 761743.8052 -0.3464 -0.6686 PRESSURE: 95400 30.9591 -244.033 79.7079 -244.034 -22.1997 1.07542 79.7086 1.07571 76.776 GPRESSURE: 95400 22.1486 -215.873 145.228 -222.222 -52.9981 24.6594 -13.1666 40.9328 198.168 PRESSAVG: 95400 -5.69871 23.9272 33.0941 23.9272 51.6557 -17.1346 33.0941 -17.1345 -0.620073 GPRESSAVG: 95400 -6.2118 21.6081 34.9386 24.7538 50.5576 -16.2663 34.9572 -16.7 0.877002 TIMING: 95400 CPU: 302.854, 0.00320126/step Wall: 302.854, 0.00320126/step, 4.36136 hours remaining, 222.054688 MB of memory in use. ENERGY: 95400 3987.6410 20434.0409 14348.7363 237.3435 -203242.7289 2474.8972 0.0000 0.0000 52113.1753 -109646.8946 299.4951 -161760.0700 -109289.2727 298.7906 28.5118 55.7727 761226.3585 15.1123 15.0743 PRESSURE: 95600 -81.6302 173.427 140.961 173.427 -207.186 -28.3622 140.96 -28.3627 -294.553 GPRESSURE: 95600 -35.8222 86.3311 150.275 183.512 -176.494 39.9416 30.8916 -14.9895 -291.31 PRESSAVG: 95600 -8.94807 -18.5381 5.63654 -18.5382 -36.7206 -29.8217 5.63652 -29.8217 3.35673 GPRESSAVG: 95600 -10.0356 -17.9859 2.83548 -17.9889 -35.121 -30.4764 4.28119 -28.9404 2.5113 TIMING: 95600 CPU: 303.495, 0.00320286/step Wall: 303.495, 0.00320286/step, 4.36336 hours remaining, 222.054688 MB of memory in use. ENERGY: 95600 3994.1205 20414.4214 14448.3985 230.6143 -202811.8617 1812.6848 0.0000 0.0000 52129.5895 -109782.0327 299.5895 -161911.6222 -109417.1340 299.2096 -194.4563 -167.8753 760377.8818 -14.1040 -14.2151 PRESSURE: 95800 293.599 -221.854 -32.4562 -221.855 -164.688 6.02465 -32.4565 6.02538 329.769 GPRESSURE: 95800 316.695 -165.869 -60.4953 -158.196 -115.368 76.9394 -60.227 10.5477 376.827 PRESSAVG: 95800 -12.2438 -14.9455 -2.20834 -14.9455 -6.89309 -1.99378 -2.20827 -1.99377 3.31556 GPRESSAVG: 95800 -12.1823 -16.4 -0.217539 -14.7072 -7.61089 -2.48303 -2.62506 -2.80699 3.97664 TIMING: 95800 CPU: 304.135, 0.00320041/step Wall: 304.135, 0.00320041/step, 4.35985 hours remaining, 222.054688 MB of memory in use. ENERGY: 95800 4009.2024 20383.6129 14360.3947 251.8442 -203798.5242 2753.6476 0.0000 0.0000 52020.8129 -110019.0094 298.9643 -162039.8224 -109660.3610 298.6521 152.8933 192.7181 760812.9243 -5.2738 -5.2722 PRESSURE: 96000 -46.6644 122.301 -135.64 122.3 164.12 -5.23322 -135.639 -5.23191 46.6562 GPRESSURE: 96000 38.6696 142.696 -208.349 120.369 180.904 70.2102 -7.18441 -85.3448 0.746677 PRESSAVG: 96000 17.2338 -17.3824 -53.0809 -17.3825 -46.2819 -3.76816 -53.0809 -3.76811 -14.1243 GPRESSAVG: 96000 16.6051 -14.3159 -52.4443 -18.6894 -44.9083 -3.15737 -52.7069 -3.6542 -14.5369 TIMING: 96000 CPU: 304.768, 0.00316896/step Wall: 304.768, 0.00316896/step, 4.31683 hours remaining, 222.054688 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: 96000 3998.5593 20382.6727 14401.9063 261.9002 -203637.5976 2503.9331 0.0000 0.0000 51950.3882 -110138.2378 298.5596 -162088.6260 -109779.6433 298.3046 54.7041 73.4402 760638.2250 -14.3908 -14.2801 PRESSURE: 96200 -93.7888 -27.729 152.962 -27.7281 -499.862 -61.9696 152.963 -61.9691 256.31 GPRESSURE: 96200 -92.3772 -101.153 216.315 73.7908 -403.015 -90.858 179.35 -63.5509 239.811 PRESSAVG: 96200 -12.1257 15.3419 10.9536 15.3418 2.57391 23.1051 10.9536 23.1051 19.9085 GPRESSAVG: 96200 -10.7002 13.7149 10.916 15.4252 1.56972 23.1606 11.6814 25.2142 19.0425 TIMING: 96200 CPU: 305.409, 0.00320075/step Wall: 305.409, 0.00320075/step, 4.35995 hours remaining, 222.054688 MB of memory in use. ENERGY: 96200 3942.9081 20334.0440 14425.2216 241.6866 -203286.2136 2342.1407 0.0000 0.0000 51883.9117 -110116.3009 298.1776 -162000.2127 -109751.4571 298.2386 -112.4469 -85.1936 761737.5992 3.4522 3.3040 LDB: ============= START OF LOAD BALANCING ============== 317.833 LDB: ============== END OF LOAD BALANCING =============== 317.834 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 317.835 LDB: ============= START OF LOAD BALANCING ============== 318.154 LDB: Largest compute 7033 load 0.038825 is 19.9% of average load 0.194670 LDB: Average compute 0.004412 is 2.3% of average load 0.194670 LDB: TIME 318.157 LOAD: AVG 0.19467 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.98 MB LDB: TIME 318.158 LOAD: AVG 0.19467 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.98 MB LDB: TIME 318.158 LOAD: AVG 0.19467 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.98 MB LDB: ============== END OF LOAD BALANCING =============== 318.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 318.165 PRESSURE: 96400 101.394 102.189 56.5084 102.188 85.1479 81.5741 56.5083 81.5741 358.458 GPRESSURE: 96400 220.733 183.208 11.7524 17.172 121.372 94.6619 13.7157 5.03306 289.35 PRESSAVG: 96400 22.5114 -42.437 51.1579 -42.437 -24.1325 21.7522 51.1579 21.7522 -26.2095 GPRESSAVG: 96400 22.6106 -41.0917 49.3794 -42.6098 -24.268 21.0004 49.4511 20.2537 -26.5282 TIMING: 96400 CPU: 306.058, 0.00324965/step Wall: 306.058, 0.00324965/step, 4.42638 hours remaining, 222.109375 MB of memory in use. ENERGY: 96400 3922.0444 20424.4625 14408.4689 259.7879 -203269.2472 2254.3350 0.0000 0.0000 51798.2972 -110201.8512 297.6855 -162000.1485 -109839.2810 297.8818 181.6666 210.4849 760407.5620 -9.2769 -9.3952 PRESSURE: 96600 200.849 -277.711 6.50233 -277.711 101.502 70.3032 6.50221 70.3032 254.649 GPRESSURE: 96600 135.546 -158.817 55.9583 -1.18555 182.57 41.5565 33.7788 19.4587 326.588 PRESSAVG: 96600 15.2941 10.2724 -0.282465 10.2724 -6.63894 -84.9383 -0.282441 -84.9382 2.36494 GPRESSAVG: 96600 14.3069 10.5895 -0.242277 10.2908 -6.10437 -86.1706 2.55585 -84.574 3.27604 TIMING: 96600 CPU: 306.696, 0.00318697/step Wall: 306.696, 0.00318697/step, 4.34083 hours remaining, 222.109375 MB of memory in use. ENERGY: 96600 3981.8519 20393.6680 14414.0365 234.1310 -203785.1320 2614.9523 0.0000 0.0000 51808.9696 -110337.5225 297.7469 -162146.4922 -109983.0574 297.4733 185.6665 214.9015 759470.4578 3.6734 3.8262 PRESSURE: 96800 -236.25 17.7104 12.4292 17.7091 -317.949 -43.5694 12.429 -43.5705 79.7262 GPRESSURE: 96800 -233.09 41.7457 103.596 -93.6766 -184.013 -15.0744 -30.2315 -78.6544 28.2482 PRESSAVG: 96800 -35.7982 -13.2616 -49.6611 -13.2616 41.8259 -39.1519 -49.6611 -39.152 -6.80838 GPRESSAVG: 96800 -35.4026 -14.985 -50.1654 -13.5199 42.8067 -37.8634 -48.2998 -38.667 -8.16308 TIMING: 96800 CPU: 307.335, 0.00319337/step Wall: 307.335, 0.00319337/step, 4.34937 hours remaining, 222.109375 MB of memory in use. ENERGY: 96800 3993.1300 20392.9402 14438.5549 243.2131 -202980.0847 1877.3103 0.0000 0.0000 51918.1022 -110116.8341 298.3740 -162034.9363 -109765.0151 298.0977 -158.1576 -129.6180 760436.0223 -0.2602 -0.2530 PRESSURE: 97000 -40.8419 -146.332 -169.633 -146.332 37.004 -119.702 -169.634 -119.7 -520.062 GPRESSURE: 97000 17.1054 -165.145 -202.197 -93.9138 27.9079 -131.249 -200.462 -185.321 -472.841 PRESSAVG: 97000 -6.51923 -37.0066 5.48844 -37.0065 27.1354 -5.18958 5.48846 -5.18961 32.1989 GPRESSAVG: 97000 -6.85377 -38.2074 5.42172 -36.7216 25.3145 -4.20929 3.93489 -5.77265 33.926 TIMING: 97000 CPU: 307.971, 0.0031841/step Wall: 307.971, 0.0031841/step, 4.33657 hours remaining, 222.109375 MB of memory in use. ENERGY: 97000 3991.6926 20450.6155 14426.9480 241.2915 -203511.0401 2382.5108 0.0000 0.0000 52058.0097 -109959.9720 299.1781 -162017.9817 -109594.5601 298.9573 -174.6335 -142.6091 759984.2661 17.6050 17.4622 PRESSURE: 97200 -163.468 -31.2762 78.2514 -31.2759 -140.212 214.475 78.2512 214.475 216.545 GPRESSURE: 97200 -121.198 -47.8838 95.4591 -27.658 -122.228 222.011 2.59148 81.8324 243.421 PRESSAVG: 97200 21.5358 -15.3131 -32.4733 -15.3131 -11.7449 8.81299 -32.4733 8.81291 22.5649 GPRESSAVG: 97200 21.5641 -11.8683 -31.0911 -18.1866 -10.7178 7.73919 -32.5883 7.59709 22.1213 TIMING: 97200 CPU: 308.61, 0.00319385/step Wall: 308.61, 0.00319385/step, 4.34967 hours remaining, 222.109375 MB of memory in use. ENERGY: 97200 3902.0545 20379.9762 14379.2325 244.3955 -203384.5100 2391.0408 0.0000 0.0000 52333.0992 -109754.7113 300.7590 -162087.8105 -109389.1573 298.9271 -29.0451 -0.0015 760875.7047 10.7852 10.9892 PRESSURE: 97400 -205.933 -87.0978 -248.238 -87.0985 -325.69 -51.6121 -248.238 -51.6127 -61.7175 GPRESSURE: 97400 -114.379 -303.608 -130.821 -33.3851 -236.158 -59.9089 -266.299 -99.5304 -146.967 PRESSAVG: 97400 -53.8409 -7.33476 -45.4684 -7.33472 50.8726 -19.8928 -45.4685 -19.8927 7.65513 GPRESSAVG: 97400 -52.6783 -8.76389 -45.939 -7.15233 50.0104 -20.4764 -46.916 -18.3343 7.1308 TIMING: 97400 CPU: 309.245, 0.0031725/step Wall: 309.245, 0.0031725/step, 4.32041 hours remaining, 222.109375 MB of memory in use. ENERGY: 97400 4094.4377 20586.3858 14457.9188 254.5748 -203453.2322 2384.2628 0.0000 0.0000 51889.5647 -109786.0876 298.2100 -161675.6522 -109425.1696 299.0004 -197.7804 -165.8351 760752.1073 1.5623 1.4876 PRESSURE: 97600 -384.556 -30.5638 273.804 -30.5635 -196.642 -6.14941 273.805 -6.14912 -265.516 GPRESSURE: 97600 -331.209 25.9744 188.294 65.6975 -160.735 33.7241 165.447 -125.918 -255.494 PRESSAVG: 97600 41.5341 -16.8631 -62.8088 -16.8632 -25.8683 -8.86427 -62.8089 -8.86431 -27.9047 GPRESSAVG: 97600 39.8294 -16.6004 -63.2597 -15.3217 -24.8281 -9.40647 -62.2432 -9.02921 -27.401 TIMING: 97600 CPU: 309.884, 0.00319755/step Wall: 309.884, 0.00319755/step, 4.35436 hours remaining, 222.109375 MB of memory in use. ENERGY: 97600 4005.2629 20517.2197 14421.7333 254.7771 -203587.2758 2508.8601 0.0000 0.0000 52320.5281 -109558.8946 300.6868 -161879.4227 -109198.0582 299.5861 -282.2379 -249.1464 760543.2855 -4.0796 -4.1332 PRESSURE: 97800 -100.928 137.654 228.678 137.654 -88.2697 -155.855 228.677 -155.856 -103.253 GPRESSURE: 97800 -40.6098 109.444 177.012 144.022 -67.3519 -161.069 151.018 -125.104 -95.6553 PRESSAVG: 97800 7.6989 -32.6368 -10.6535 -32.6368 -2.15278 -29.9213 -10.6535 -29.9213 22.3008 GPRESSAVG: 97800 8.97157 -32.0254 -10.9144 -34.4262 -2.79357 -29.9443 -9.85105 -30.1213 22.3491 TIMING: 97800 CPU: 310.521, 0.0031833/step Wall: 310.521, 0.0031833/step, 4.33478 hours remaining, 222.109375 MB of memory in use. ENERGY: 97800 3955.8727 20559.0705 14464.5228 259.6498 -203334.6586 2459.4438 0.0000 0.0000 51968.8737 -109667.2252 298.6658 -161636.0990 -109308.0131 299.2975 -97.4836 -67.8724 760432.8455 9.2823 9.5090 PRESSURE: 98000 -16.6664 4.83053 -50.2398 4.82995 32.3489 248.826 -50.2394 248.826 -237.376 GPRESSURE: 98000 -33.8889 56.049 -9.51183 27.375 102.881 272.963 -72.7458 143.576 -195.438 PRESSAVG: 98000 20.4704 -7.50472 -41.8951 -7.50474 36.0945 -8.17737 -41.8951 -8.17735 -12.2303 GPRESSAVG: 98000 19.9516 -10.88 -42.3175 -5.2888 36.5755 -8.11211 -40.7157 -8.41541 -12.0856 TIMING: 98000 CPU: 311.157, 0.00317986/step Wall: 311.157, 0.00317986/step, 4.32991 hours remaining, 222.109375 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: 98000 4008.2217 20580.7766 14410.4084 225.8249 -203417.2248 2526.9095 0.0000 0.0000 51896.5784 -109768.5053 298.2503 -161665.0837 -109417.5088 299.1118 -73.8978 -42.1488 759779.7364 14.7782 14.8138 PRESSURE: 98200 1.6203 51.6979 -54.9652 51.6981 -166.82 13.1623 -54.9644 13.1615 -463.597 GPRESSURE: 98200 13.4228 30.8149 -59.4162 54.3931 -112.949 95.7083 71.4065 -91.6521 -454.201 PRESSAVG: 98200 20.6904 -10.8487 0.637742 -10.8487 -14.2903 10.5583 0.637771 10.5583 -29.0576 GPRESSAVG: 98200 19.988 -9.88457 1.80476 -10.7112 -13.9895 12.6469 0.748067 10.7447 -28.9765 TIMING: 98200 CPU: 311.798, 0.00320473/step Wall: 311.798, 0.00320473/step, 4.3636 hours remaining, 222.109375 MB of memory in use. ENERGY: 98200 4009.3881 20362.9435 14385.4632 237.0441 -203040.8212 2176.6354 0.0000 0.0000 52261.8494 -109607.4975 300.3496 -161869.3469 -109245.6651 298.7951 -209.5988 -184.5756 760051.5331 -7.5525 -7.6593 PRESSURE: 98400 -48.2032 -58.0496 -89.2377 -58.0493 -231.389 -238.161 -89.2374 -238.163 -167.494 GPRESSURE: 98400 77.9251 -72.8097 -25.0328 -104.836 -226.173 -292.196 -42.5177 -86.6852 -216.467 PRESSAVG: 98400 25.6593 -30.1859 -12.4538 -30.1859 -26.8929 -18.1583 -12.4538 -18.1584 7.9081 GPRESSAVG: 98400 26.995 -30.632 -13.0985 -30.8528 -26.8065 -21.6461 -13.1342 -16.7733 6.27216 TIMING: 98400 CPU: 312.441, 0.00321661/step Wall: 312.441, 0.00321661/step, 4.37959 hours remaining, 222.109375 MB of memory in use. ENERGY: 98400 4014.1084 20395.1920 14367.3706 250.5834 -203300.5122 2409.9442 0.0000 0.0000 52193.5116 -109669.8021 299.9568 -161863.3136 -109304.6205 299.3453 -149.0285 -121.5718 762200.1800 2.2248 2.1535 PRESSURE: 98600 45.2427 -144.696 -72.7716 -144.696 -273.401 -210.854 -72.7706 -210.852 235.911 GPRESSURE: 98600 123.482 -36.587 -47.7258 -48.0075 -195.754 -156.325 -84.1778 -168.078 192.648 PRESSAVG: 98600 0.302819 -44.079 -58.2231 -44.079 -7.83721 28.4407 -58.223 28.4408 10.0839 GPRESSAVG: 98600 0.545633 -43.412 -57.229 -43.5403 -8.80873 31.4014 -60.3989 26.7746 11.1141 TIMING: 98600 CPU: 313.08, 0.00319305/step Wall: 313.08, 0.00319305/step, 4.34734 hours remaining, 222.109375 MB of memory in use. ENERGY: 98600 3965.6006 20482.7193 14452.5428 241.7429 -203249.1029 2431.8400 0.0000 0.0000 51756.5596 -109918.0978 297.4457 -161674.6574 -109575.4698 298.5747 2.5841 40.1253 761296.3044 0.8498 0.9503 PRESSURE: 98800 128.079 -22.4592 46.341 -22.4585 248.237 184.381 46.3407 184.38 -142.985 GPRESSURE: 98800 182.656 -47.2417 59.9493 -52.1138 319.573 210.938 107.939 14.0579 -165.515 PRESSAVG: 98800 -1.87175 -36.5311 -4.32853 -36.5312 17.7373 -6.46972 -4.32849 -6.4697 17.5143 GPRESSAVG: 98800 -2.59569 -37.6086 -4.16785 -34.9923 17.8892 -7.65305 -4.09891 -4.29105 17.9824 TIMING: 98800 CPU: 313.716, 0.00318267/step Wall: 313.716, 0.00318267/step, 4.33302 hours remaining, 222.109375 MB of memory in use. ENERGY: 98800 4008.5308 20328.3045 14465.8779 263.5976 -203456.0315 2495.6058 0.0000 0.0000 52094.6422 -109799.4727 299.3886 -161894.1149 -109435.0928 298.1306 77.7769 112.2381 760939.9713 11.1266 11.0920 PRESSURE: 99000 -265.652 123.88 40.3923 123.879 -197.359 -156.696 40.3922 -156.697 -267.471 GPRESSURE: 99000 -238.708 53.9286 66.125 30.534 -110.396 -217.48 -82.3355 -176.828 -280.172 PRESSAVG: 99000 -10.4887 -67.5618 -40.6137 -67.5619 29.2658 -6.00055 -40.6137 -6.00062 3.99357 GPRESSAVG: 99000 -10.6463 -65.9105 -42.0696 -69.8552 29.6586 -6.54373 -39.2213 -6.30634 3.88918 TIMING: 99000 CPU: 314.359, 0.00321413/step Wall: 314.359, 0.00321413/step, 4.37567 hours remaining, 222.109375 MB of memory in use. ENERGY: 99000 3962.0103 20362.7214 14453.5635 251.6967 -202775.6210 2184.7869 0.0000 0.0000 51917.7457 -109643.0965 298.3720 -161560.8422 -109286.0087 299.0130 -243.4941 -209.7587 762228.2731 7.5902 7.6338 PRESSURE: 99200 -258.932 -14.3103 153.907 -14.3102 66.2765 20.1901 153.907 20.1891 -528.15 GPRESSURE: 99200 -167.716 -75.8968 132.499 -34.1489 60.316 33.3382 138.4 87.0512 -520.22 PRESSAVG: 99200 -10.9433 -85.2733 -29.6291 -85.2733 32.9163 31.4858 -29.6291 31.4857 33.5358 GPRESSAVG: 99200 -9.92061 -86.3896 -28.1247 -83.2454 33.9786 32.6076 -31.537 30.7902 31.9453 TIMING: 99200 CPU: 314.999, 0.00320224/step Wall: 314.999, 0.00320224/step, 4.35931 hours remaining, 222.109375 MB of memory in use. ENERGY: 99200 3970.0144 20488.2344 14497.7433 239.5838 -203008.4863 2261.5353 0.0000 0.0000 52062.2571 -109489.1180 299.2025 -161551.3751 -109125.6629 299.4591 -240.2683 -209.2065 760298.0262 18.5029 18.6678 PRESSURE: 99400 -259.772 -107.348 -107.293 -107.348 -305.642 472.83 -107.292 472.831 77.1022 GPRESSURE: 99400 -152.672 -63.1056 -83.231 -203.844 -282.518 393.47 -29.8373 427.653 30.9797 PRESSAVG: 99400 -8.60939 -85.7908 -36.9369 -85.7908 -5.38651 0.926885 -36.9369 0.92687 -8.44465 GPRESSAVG: 99400 -9.67076 -83.707 -38.1012 -87.5222 -5.25148 1.66649 -35.7659 1.69069 -7.48499 TIMING: 99400 CPU: 315.643, 0.00321751/step Wall: 315.643, 0.00321751/step, 4.37992 hours remaining, 222.109375 MB of memory in use. ENERGY: 99400 4049.4564 20431.3258 14375.2884 239.5643 -203383.7316 2641.2780 0.0000 0.0000 51995.2545 -109651.5641 298.8174 -161646.8185 -109296.1409 299.0565 -162.7707 -134.7368 760660.7492 -7.4802 -7.4691 PRESSURE: 99600 -205.297 203.398 -210.03 203.397 -239.72 77.4592 -210.03 77.4596 -34.7647 GPRESSURE: 99600 -176.886 238.037 -222.937 254.987 -131.574 131.317 -184.866 32.6575 -70.6415 PRESSAVG: 99600 19.0537 -34.2939 -12.9351 -34.2939 -9.92529 25.337 -12.935 25.337 -2.7594 GPRESSAVG: 99600 19.3344 -34.3961 -11.75 -33.8913 -11.0635 23.1519 -12.4703 24.3077 -2.13553 TIMING: 99600 CPU: 316.295, 0.00326145/step Wall: 316.295, 0.00326145/step, 4.43956 hours remaining, 222.109375 MB of memory in use. ENERGY: 99600 3976.2104 20415.9120 14474.5426 245.9549 -203166.1207 2203.8053 0.0000 0.0000 51977.2832 -109872.4123 298.7142 -161849.6955 -109505.6369 298.9445 -159.9274 -126.3672 760408.7596 2.1230 2.0451 PRESSURE: 99800 -264.515 -106.992 -147.86 -106.992 16.0508 30.612 -147.859 30.6129 -304.866 GPRESSURE: 99800 -222.725 -32.974 -122.084 -155.019 0.228567 71.9973 -127.863 58.8054 -247.37 PRESSAVG: 99800 -9.13874 -65.6924 -49.5246 -65.6924 7.4684 28.6262 -49.5246 28.6263 19.0622 GPRESSAVG: 99800 -10.3089 -66.0055 -52.4089 -65.4793 8.27516 31.3358 -47.641 28.5651 18.8023 TIMING: 99800 CPU: 316.941, 0.00322628/step Wall: 316.941, 0.00322628/step, 4.3915 hours remaining, 222.109375 MB of memory in use. ENERGY: 99800 3958.9007 20454.0101 14457.5839 237.4342 -203197.7731 2470.6769 0.0000 0.0000 51894.5957 -109724.5716 298.2390 -161619.1673 -109361.4254 299.1196 -184.4432 -156.6221 762034.9688 5.7973 5.5895 PRESSURE: 100000 -130.811 -110.866 176.903 -110.867 -32.7272 -47.7711 176.903 -47.771 338.721 GPRESSURE: 100000 -20.2186 53.0384 115.143 -162.102 -44.1264 -99.7443 122.972 -79.3485 337.808 PRESSAVG: 100000 5.54126 -42.0643 -15.4274 -42.0643 10.3347 14.8257 -15.4274 14.8256 -16.8257 GPRESSAVG: 100000 6.88525 -41.361 -12.3448 -42.3233 9.55605 13.0775 -18.8699 15.6802 -18.0714 TIMING: 100000 CPU: 317.592, 0.00325812/step Wall: 317.592, 0.00325812/step, 4.43467 hours remaining, 226.488281 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: 100000 3963.7945 20409.3617 14472.1684 236.4110 -203191.0575 2325.3275 0.0000 0.0000 51995.9471 -109788.0473 298.8214 -161783.9944 -109424.3742 299.4238 58.3945 91.1542 758761.2145 -0.3166 -0.5434 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.004 seconds, 226.727 MB of memory in use OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.016 seconds, 226.730 MB of memory in use PRESSURE: 100200 150.918 -46.2627 15.7747 -46.2638 -399.656 134.689 15.7743 134.687 148.267 GPRESSURE: 100200 132.272 -18.668 5.1653 4.4458 -241.561 116.014 18.0926 57.5586 96.9084 PRESSAVG: 100200 6.42957 -86.7783 -9.63318 -86.7783 19.7794 15.9583 -9.63322 15.9582 -12.665 GPRESSAVG: 100200 6.22514 -86.8485 -10.8646 -88.1045 19.4056 15.3695 -8.10026 15.5593 -12.2488 TIMING: 100200 CPU: 318.294, 0.00351036/step Wall: 318.294, 0.00351036/step, 4.7778 hours remaining, 227.832031 MB of memory in use. ENERGY: 100200 4011.3312 20427.1076 14466.2130 238.3467 -203438.2130 2428.1580 0.0000 0.0000 52085.2846 -109781.7718 299.3348 -161867.0564 -109417.7111 299.2459 -33.4901 -4.1269 757510.8342 4.5146 4.4606 LDB: ============= START OF LOAD BALANCING ============== 330.719 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 330.719 LDB: =============== DONE WITH MIGRATION ================ 330.721 LDB: ============= START OF LOAD BALANCING ============== 331.038 LDB: Largest compute 7033 load 0.037560 is 19.3% of average load 0.194686 LDB: Average compute 0.004385 is 2.3% of average load 0.194686 LDB: TIME 331.041 LOAD: AVG 0.194686 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.406 MB LDB: TIME 331.042 LOAD: AVG 0.194686 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.406 MB LDB: TIME 331.042 LOAD: AVG 0.194686 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.406 MB LDB: ============== END OF LOAD BALANCING =============== 331.044 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 331.049 PRESSURE: 100400 -11.2654 -11.0807 -298.023 -11.0807 -182.002 -80.8938 -298.024 -80.8939 48.44 GPRESSURE: 100400 110.988 -132.684 -327.976 163.337 -195.672 -120.607 -259.358 -22.9094 24.7783 PRESSAVG: 100400 54.3391 -59.3999 -2.93395 -59.4 -5.68582 7.96916 -2.93396 7.96915 7.81776 GPRESSAVG: 100400 53.7615 -61.7391 -3.12473 -57.1421 -6.33562 9.05241 -3.76409 9.12271 8.79782 TIMING: 100400 CPU: 318.943, 0.00324305/step Wall: 318.943, 0.00324305/step, 4.4138 hours remaining, 231.113281 MB of memory in use. ENERGY: 100400 4021.6778 20433.3929 14420.9156 243.4512 -203429.1550 2326.1173 0.0000 0.0000 52068.8284 -109914.7716 299.2403 -161983.6001 -109553.0851 298.7754 -48.2759 -19.9687 759360.9842 18.8237 18.7412 PRESSURE: 100600 -559.937 -133.353 262.098 -133.353 -517.319 47.7026 262.098 47.7022 168.452 GPRESSURE: 100600 -405.868 -118.536 242.762 -124.578 -485.046 22.096 312.961 -4.37211 90.021 PRESSAVG: 100600 -38.5378 -59.28 20.7512 -59.2799 -1.09095 0.902064 20.7511 0.901957 3.67549 GPRESSAVG: 100600 -38.7127 -58.6228 19.7753 -58.83 0.0326951 0.366887 23.2495 0.583303 2.30623 TIMING: 100600 CPU: 319.575, 0.0031627/step Wall: 319.575, 0.0031627/step, 4.30426 hours remaining, 231.242188 MB of memory in use. ENERGY: 100600 4087.8479 20566.1099 14457.4904 242.5687 -203159.5393 2218.4221 0.0000 0.0000 51786.4462 -109800.6541 297.6174 -161587.1003 -109450.9756 298.5161 -302.9347 -266.9642 760744.3333 -11.9844 -12.1246 PRESSURE: 100800 297.719 -211.57 -135.574 -211.571 -338.789 -24.2568 -135.574 -24.2581 166.811 GPRESSURE: 100800 268.712 -270.76 -110.846 -167.983 -204.448 -25.7713 -124.973 -24.5668 138.449 PRESSAVG: 100800 47.8969 -62.4593 -1.47659 -62.4592 2.04853 25.5362 -1.47659 25.5362 1.07366 GPRESSAVG: 100800 47.2245 -64.2772 -1.59746 -62.7659 2.08565 24.592 -3.61569 25.8154 1.61469 TIMING: 100800 CPU: 320.211, 0.00317766/step Wall: 320.211, 0.00317766/step, 4.32444 hours remaining, 231.242188 MB of memory in use. ENERGY: 100800 3975.3979 20458.7805 14421.6092 226.5874 -202984.1493 2250.4923 0.0000 0.0000 52147.5229 -109503.7591 299.6925 -161651.2820 -109144.5226 299.0134 41.9141 67.5710 760967.4036 17.0064 16.9749 PRESSURE: 101000 292.211 -11.1473 -26.5227 -11.1466 -469.84 -250.686 -26.5223 -250.686 177.827 GPRESSURE: 101000 252.142 42.4918 -4.24989 -26.3529 -369.904 -191.637 -10.0434 -230.718 200.369 PRESSAVG: 101000 79.1743 -51.3229 18.5182 -51.3229 -62.555 22.8019 18.5183 22.8019 17.1513 GPRESSAVG: 101000 79.5998 -48.802 18.2155 -54.2057 -61.8624 24.3629 20.3999 21.7968 16.0972 TIMING: 101000 CPU: 320.85, 0.00319576/step Wall: 320.85, 0.00319576/step, 4.34889 hours remaining, 231.242188 MB of memory in use. ENERGY: 101000 4038.4251 20530.7512 14476.7480 236.0621 -203553.2851 2373.7023 0.0000 0.0000 52214.9239 -109682.6726 300.0799 -161897.5965 -109318.4739 299.3346 0.0660 27.5359 760319.4477 11.2569 11.2782 PRESSURE: 101200 -128.353 -82.267 75.0195 -82.268 -365.778 -107.82 75.0192 -107.819 -417.123 GPRESSURE: 101200 -48.2833 -27.5328 133.744 -43.4944 -323.57 -27.2191 -29.3807 -56.8055 -457.437 PRESSAVG: 101200 60.8847 -91.7462 21.992 -91.7462 -86.6639 -12.3181 21.992 -12.318 0.738172 GPRESSAVG: 101200 61.4588 -90.7607 23.2312 -89.6671 -87.6285 -12.0826 18.6657 -11.4657 1.18162 TIMING: 101200 CPU: 321.492, 0.00321059/step Wall: 321.492, 0.00321059/step, 4.3689 hours remaining, 231.242188 MB of memory in use. ENERGY: 101200 4031.9163 20564.8510 14454.1116 250.9554 -203079.5106 2192.9048 0.0000 0.0000 52052.6323 -109532.1391 299.1472 -161584.7714 -109171.1363 299.4231 -303.7515 -276.4304 760461.7390 -8.3470 -8.3294 PRESSURE: 101400 -244.91 -167.32 180.377 -167.319 -204.399 -61.096 180.377 -61.0949 350.366 GPRESSURE: 101400 -160.732 -61.4039 113.753 -142.633 -179.191 -51.6731 254.465 -78.8087 318.703 PRESSAVG: 101400 33.1024 -81.6726 21.8204 -81.6725 -35.3255 8.49056 21.8204 8.49055 -18.409 GPRESSAVG: 101400 33.1096 -82.9192 21.4334 -82.7216 -35.9822 8.35837 23.6943 8.31243 -17.3608 TIMING: 101400 CPU: 322.135, 0.00321466/step Wall: 322.135, 0.00321466/step, 4.37426 hours remaining, 231.242188 MB of memory in use. ENERGY: 101400 3855.1826 20503.8535 14467.2087 229.3325 -202979.0003 1987.4785 0.0000 0.0000 52316.1058 -109619.8386 300.6614 -161935.9445 -109257.7814 299.4136 -32.9811 -7.0733 759759.4664 -6.8773 -6.7445 PRESSURE: 101600 73.69 -315.113 -105.402 -315.113 37.7917 143.899 -105.401 143.9 160.633 GPRESSURE: 101600 132.173 -334.983 -75.866 -259.978 61.1185 150.881 -178.516 51.0531 161.858 PRESSAVG: 101600 76.1496 -92.6218 6.06176 -92.6218 -41.7036 -19.6609 6.06165 -19.6609 0.0124179 GPRESSAVG: 101600 77.5541 -92.3568 7.79093 -92.1557 -41.2025 -19.3758 4.48882 -20.3632 -1.54086 TIMING: 101600 CPU: 322.774, 0.00319492/step Wall: 322.774, 0.00319492/step, 4.34723 hours remaining, 231.242188 MB of memory in use. ENERGY: 101600 4027.9173 20557.2911 14492.8152 251.1921 -203891.2736 2781.2925 0.0000 0.0000 52271.5735 -109509.1918 300.4055 -161780.7654 -109150.6483 299.7212 90.7048 118.3833 758102.1258 11.4861 11.6036 PRESSURE: 101800 18.4311 -11.5948 46.9979 -11.5943 -520.671 55.955 46.9975 55.9546 -203.244 GPRESSURE: 101800 -4.65917 -140.03 46.8533 -13.8456 -400.985 36.7245 -11.2248 28.5604 -219.456 PRESSAVG: 101800 85.6763 -90.2713 24.4664 -90.2712 -54.7116 49.0131 24.4664 49.0132 3.8318 GPRESSAVG: 101800 84.2713 -90.5643 22.6403 -90.6176 -53.969 47.9548 26.1501 49.2733 5.04929 TIMING: 101800 CPU: 323.414, 0.00320144/step Wall: 323.414, 0.00320144/step, 4.35591 hours remaining, 231.242188 MB of memory in use. ENERGY: 101800 4042.9987 20560.2852 14536.2762 229.4384 -203268.7456 2076.9448 0.0000 0.0000 52189.0786 -109633.7237 299.9314 -161822.8023 -109272.2089 300.1566 -235.1614 -208.3667 760869.3731 11.5988 11.7839 PRESSURE: 102000 -298.585 13.4624 24.0008 13.4618 -36.9586 149.707 24.001 149.707 54.615 GPRESSURE: 102000 -207.407 37.7749 -111.924 -70.4354 46.1949 253.118 138.875 39.2668 -34.2119 PRESSAVG: 102000 15.8827 -75.2854 4.15387 -75.2854 -45.8409 41.9133 4.15389 41.9133 -5.70565 GPRESSAVG: 102000 16.6269 -75.4497 5.99854 -74.8253 -46.2598 43.1489 2.90443 40.4337 -5.80061 TIMING: 102000 CPU: 324.067, 0.00326215/step Wall: 324.067, 0.00326215/step, 4.43833 hours remaining, 231.242188 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: 102000 4024.6320 20654.8958 14456.6334 247.7202 -203617.8215 2242.0327 0.0000 0.0000 52057.5749 -109934.3325 299.1756 -161991.9074 -109565.8368 299.5997 -93.6429 -65.1413 759728.3070 -11.8879 -11.8112 PRESSURE: 102200 145.299 -103.787 350.616 -103.788 303.277 -176.51 350.617 -176.509 36.6971 GPRESSURE: 102200 218.811 -196.771 289.088 4.43262 272.642 -103.677 413.244 -115.654 87.1507 PRESSAVG: 102200 -12.818 -38.6164 64.5497 -38.6164 -13.6146 27.994 64.5497 27.994 41.2151 GPRESSAVG: 102200 -13.3568 -36.7482 63.8319 -38.5144 -14.4127 26.1187 65.0759 28.4122 42.7383 TIMING: 102200 CPU: 324.711, 0.00322205/step Wall: 324.711, 0.00322205/step, 4.3836 hours remaining, 231.242188 MB of memory in use. ENERGY: 102200 3995.4548 20488.3928 14392.8994 254.4408 -203667.0209 2577.3465 0.0000 0.0000 51689.2077 -110269.2789 297.0586 -161958.4866 -109913.5426 298.7721 161.7575 192.8678 759161.7395 4.9275 4.9896 PRESSURE: 102400 -2.20404 -159.226 -29.3406 -159.227 -275.282 -284.681 -29.3422 -284.681 540.151 GPRESSURE: 102400 77.777 -74.7472 9.1643 -131.002 -245.478 -254.051 47.6197 -142.334 513.856 PRESSAVG: 102400 65.6834 -38.3805 4.24484 -38.3804 -46.0073 -13.2982 4.2448 -13.2982 4.14953 GPRESSAVG: 102400 66.2634 -40.0994 4.14756 -37.4385 -45.0348 -12.8496 5.93967 -15.0645 2.73625 TIMING: 102400 CPU: 325.346, 0.00317584/step Wall: 325.346, 0.00317584/step, 4.32055 hours remaining, 231.242188 MB of memory in use. ENERGY: 102400 3962.5656 20545.9846 14497.7160 246.6517 -203633.9039 2359.8046 0.0000 0.0000 51995.2983 -110025.8831 298.8177 -162021.1814 -109661.2655 298.7463 87.5548 115.3850 760555.3960 7.9419 7.9883 PRESSURE: 102600 103.242 59.2833 211.208 59.2837 130.249 0.644619 211.208 0.643333 84.5568 GPRESSURE: 102600 116.123 -35.6603 187.129 -85.7797 233.899 -2.99751 92.571 -74.7703 56.7041 PRESSAVG: 102600 42.6981 -65.6236 6.9403 -65.6236 -49.4846 22.1291 6.94023 22.1291 31.0216 GPRESSAVG: 102600 42.8309 -66.1192 5.86857 -66.0588 -48.6766 23.1742 6.75827 24.9763 30.8489 TIMING: 102600 CPU: 325.989, 0.00321134/step Wall: 325.989, 0.00321134/step, 4.36867 hours remaining, 231.242188 MB of memory in use. ENERGY: 102600 3943.2860 20360.1105 14488.9316 249.7519 -203985.8573 2479.7308 0.0000 0.0000 52351.7087 -110112.3378 300.8660 -162464.0465 -109750.6958 298.9139 106.0159 135.5755 758706.0760 8.0783 8.3344 PRESSURE: 102800 -155.147 -157.737 39.6606 -157.736 8.56869 12.1668 39.6618 12.1673 -182.701 GPRESSURE: 102800 8.16074 -195.824 5.24668 -72.3354 -69.4964 4.54723 90.6683 32.9879 -178.755 PRESSAVG: 102800 22.7084 -49.0501 -7.08463 -49.0501 -21.9064 35.1889 -7.0846 35.1889 1.9731 GPRESSAVG: 102800 23.4994 -49.4199 -5.67164 -49.9332 -22.8431 34.7167 -7.71198 34.3266 2.43549 TIMING: 102800 CPU: 326.629, 0.00320332/step Wall: 326.629, 0.00320332/step, 4.35758 hours remaining, 231.242188 MB of memory in use. ENERGY: 102800 4031.1061 20620.0597 14478.8183 235.3833 -203568.8247 2367.7224 0.0000 0.0000 52011.8228 -109823.9120 298.9127 -161835.7348 -109458.7523 299.0245 -109.7599 -80.0303 758898.0014 0.9250 1.0306 PRESSURE: 103000 -154.624 -59.555 -8.88992 -59.5544 -87.1532 304.345 -8.88938 304.345 176.283 GPRESSURE: 103000 -188.817 -81.7793 -75.7677 -50.0417 2.16791 256.811 111.922 317.247 173.816 PRESSAVG: 103000 3.04398 -52.149 13.3589 -52.1489 3.13775 36.4505 13.3588 36.4504 5.71107 GPRESSAVG: 103000 2.00839 -49.9986 11.9173 -53.5728 3.4868 37.421 13.5285 35.6838 5.81284 TIMING: 103000 CPU: 327.271, 0.00320834/step Wall: 327.271, 0.00320834/step, 4.36424 hours remaining, 231.242188 MB of memory in use. ENERGY: 103000 3982.8341 20607.4418 14515.3972 227.0166 -203686.8022 2096.7344 0.0000 0.0000 52149.0906 -110108.2874 299.7015 -162257.3780 -109746.2583 299.1141 -21.8312 -4.2777 758772.4296 3.9643 3.7693 PRESSURE: 103200 -342.696 -71.3309 139.031 -71.3309 -162.563 -149.188 139.031 -149.187 -369.373 GPRESSURE: 103200 -287.202 -1.59373 135.379 -59.4928 -183 -186.18 46.6402 -28.3872 -314.239 PRESSAVG: 103200 0.862771 -58.8867 42.459 -58.8867 16.766 45.3318 42.459 45.3319 8.67795 GPRESSAVG: 103200 2.3313 -59.1376 42.7012 -57.0384 16.2626 42.7981 43.3784 46.776 7.8674 TIMING: 103200 CPU: 327.912, 0.00320293/step Wall: 327.912, 0.00320294/step, 4.3567 hours remaining, 231.242188 MB of memory in use. ENERGY: 103200 3968.2069 20623.5708 14479.1279 248.5215 -203618.3765 2101.2809 0.0000 0.0000 51874.0539 -110323.6146 298.1209 -162197.6685 -109958.4963 298.7325 -291.5441 -261.4801 758870.2174 8.7689 8.8204 PRESSURE: 103400 9.08231 -167.177 160.09 -167.177 -65.7475 -159.78 160.089 -159.78 72.6242 GPRESSURE: 103400 62.6776 -111.756 47.2091 18.3734 -38.6772 -123.743 176.609 -105.462 89.678 PRESSAVG: 103400 35.6833 -52.1997 -34.3027 -52.1997 -6.62056 27.7554 -34.3027 27.7553 0.777444 GPRESSAVG: 103400 34.9744 -53.1093 -34.1509 -50.5596 -6.03249 29.2161 -35.5579 25.8261 1.0245 TIMING: 103400 CPU: 328.553, 0.00320575/step Wall: 328.553, 0.00320575/step, 4.36035 hours remaining, 231.242188 MB of memory in use. ENERGY: 103400 3958.2264 20373.5659 14465.5586 230.9859 -203893.8408 2552.7216 0.0000 0.0000 51951.5080 -110361.2744 298.5660 -162312.7823 -109993.6098 298.7034 5.3197 37.8928 758663.5725 9.9467 9.9888 PRESSURE: 103600 -275.672 54.3097 181.361 54.3103 -72.8123 168.848 181.36 168.85 -301.122 GPRESSURE: 103600 -160.429 11.3776 80.821 80.4362 -114.02 134.549 109.79 127.634 -281.57 PRESSAVG: 103600 34.1817 -57.3955 -8.93945 -57.3955 -22.5158 -6.57262 -8.93941 -6.57257 3.28963 GPRESSAVG: 103600 34.1048 -56.71 -8.28047 -57.2978 -22.8397 -5.68422 -11.8838 -6.98867 3.2213 TIMING: 103600 CPU: 329.19, 0.00318638/step Wall: 329.19, 0.00318638/step, 4.33383 hours remaining, 231.242188 MB of memory in use. ENERGY: 103600 4010.3691 20452.4649 14489.7637 256.7761 -203844.6845 2573.3239 0.0000 0.0000 51626.6245 -110435.3622 296.6989 -162061.9868 -110072.0783 298.1538 -216.5355 -185.3395 758919.1012 4.9852 4.8288 PRESSURE: 103800 128.866 -234.465 -164.148 -234.465 -47.3365 -60.7654 -164.148 -60.7668 271.933 GPRESSURE: 103800 141.294 -242.607 -127.298 -240.038 4.06439 -42.9451 -183.092 -122.178 306.957 PRESSAVG: 103800 -27.1394 -58.7631 -34.3352 -58.7631 14.1555 -2.70367 -34.3352 -2.70358 -36.2677 GPRESSAVG: 103800 -27.3246 -59.0281 -35.6853 -60.5279 13.6516 -3.25748 -32.5268 -1.92687 -35.3617 TIMING: 103800 CPU: 329.828, 0.00319203/step Wall: 329.828, 0.00319203/step, 4.34133 hours remaining, 231.242188 MB of memory in use. ENERGY: 103800 3979.9615 20438.7972 14476.3311 240.9544 -203299.8834 2221.2639 0.0000 0.0000 51689.6531 -110252.9221 297.0611 -161942.5752 -109897.3425 297.8098 117.8208 150.7719 758370.6989 -16.4172 -16.3449 PRESSURE: 104000 375.881 -12.6987 -71.7005 -12.6992 -46.376 349.011 -71.7013 349.011 -193.297 GPRESSURE: 104000 357.788 -31.0345 -207.704 5.74882 31.4607 423.954 -49.8118 278.985 -178.968 PRESSAVG: 104000 -29.4133 -82.7905 -23.9042 -82.7905 69.0312 52.3393 -23.9042 52.3393 29.2964 GPRESSAVG: 104000 -30.3728 -82.1602 -23.6758 -82.2028 71.1176 53.4467 -23.6089 51.1833 28.1433 TIMING: 104000 CPU: 330.472, 0.00322023/step Wall: 330.472, 0.00322023/step, 4.37951 hours remaining, 231.242188 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: 104000 3951.5091 20477.5534 14446.5257 259.0908 -203763.2085 2627.5718 0.0000 0.0000 51869.4661 -110131.4916 298.0945 -162000.9577 -109780.1373 298.7265 45.4025 70.0935 757361.4132 22.9714 22.9627 PRESSURE: 104200 -258.357 -279.707 -299.912 -279.706 -69.5844 -217.163 -299.912 -217.163 -158.52 GPRESSURE: 104200 -293.886 -313.143 -283.243 -344.504 -13.6183 -212.727 -246.552 -194.099 -82.6283 PRESSAVG: 104200 26.558 -130.079 19.4856 -130.079 -24.0571 23.4268 19.4856 23.4267 -6.20664 GPRESSAVG: 104200 27.8413 -131.048 18.0952 -131.767 -25.631 22.8137 22.458 24.1751 -5.8826 TIMING: 104200 CPU: 331.114, 0.00320565/step Wall: 331.114, 0.00320565/step, 4.35951 hours remaining, 231.242188 MB of memory in use. ENERGY: 104200 4036.3470 20425.4481 14456.5156 233.6804 -203716.1320 2656.4053 0.0000 0.0000 51849.9723 -110057.7633 297.9825 -161907.7356 -109705.8119 298.7667 -162.1538 -130.0443 758833.6019 -1.2352 -1.2241 LDB: ============= START OF LOAD BALANCING ============== 343.541 LDB: ============== END OF LOAD BALANCING =============== 343.541 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 343.543 LDB: ============= START OF LOAD BALANCING ============== 343.863 LDB: Largest compute 7033 load 0.036779 is 18.9% of average load 0.194748 LDB: Average compute 0.004417 is 2.3% of average load 0.194748 LDB: TIME 343.866 LOAD: AVG 0.194748 MAX 0.215973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.527 MB LDB: TIME 343.866 LOAD: AVG 0.194748 MAX 0.215973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.73 MB LDB: TIME 343.867 LOAD: AVG 0.194748 MAX 0.215973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.73 MB LDB: ============== END OF LOAD BALANCING =============== 343.869 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 343.874 PRESSURE: 104400 -99.1335 -0.92382 241.985 -0.923641 -168.92 -93.9802 241.985 -93.9808 -259.95 GPRESSURE: 104400 -137.586 -42.5424 231.176 -78.6104 -63.1712 -92.9252 84.9824 -107.929 -250.487 PRESSAVG: 104400 -14.2534 -53.2513 -38.9285 -53.2512 5.56458 -17.025 -38.9285 -17.025 1.68934 GPRESSAVG: 104400 -14.7458 -52.8448 -37.7048 -53.9329 5.42698 -17.3928 -43.0427 -18.1553 2.52513 TIMING: 104400 CPU: 331.768, 0.00326982/step Wall: 331.768, 0.00326982/step, 4.44659 hours remaining, 229.816406 MB of memory in use. ENERGY: 104400 3992.8202 20558.9916 14520.5321 246.6668 -203817.6452 2513.2548 0.0000 0.0000 51842.1007 -110143.2789 297.9373 -161985.3797 -109772.0278 298.7126 -176.0014 -150.4148 758688.5160 -2.3332 -2.2646 PRESSURE: 104600 89.872 81.2804 23.0655 81.2796 17.2034 105.967 23.0642 105.967 231.685 GPRESSURE: 104600 111.425 28.9325 3.92273 73.4929 44.8528 140.244 148.265 125.314 272.988 PRESSAVG: 104600 35.9576 -29.866 7.93324 -29.866 -18.4426 -4.8427 7.93324 -4.84273 -4.84072 GPRESSAVG: 104600 36.1097 -29.7121 9.23831 -27.9943 -17.5412 -3.37554 8.00676 -2.24476 -5.94818 TIMING: 104600 CPU: 332.404, 0.00318143/step Wall: 332.404, 0.00318143/step, 4.32621 hours remaining, 230.019531 MB of memory in use. ENERGY: 104600 4041.8993 20522.6574 14494.3939 236.3438 -203793.8864 2549.9056 0.0000 0.0000 51882.3807 -110066.3057 298.1688 -161948.6864 -109700.8685 298.6368 112.9200 143.0888 758900.4820 4.2248 4.2068 PRESSURE: 104800 -194.041 66.9715 72.5973 66.9715 -287.625 122.243 72.597 122.242 -82.4212 GPRESSURE: 104800 -211.035 154.608 91.9939 53.0537 -213.076 53.9193 41.7696 28.3451 -61.1533 PRESSAVG: 104800 31.5183 -37.4043 3.25136 -37.4043 16.4899 -4.47022 3.25133 -4.47014 8.50355 GPRESSAVG: 104800 31.9043 -37.4285 2.65772 -35.8437 16.592 -5.42435 2.80712 -4.34626 8.23725 TIMING: 104800 CPU: 333.043, 0.00319657/step Wall: 333.043, 0.00319657/step, 4.34662 hours remaining, 230.019531 MB of memory in use. ENERGY: 104800 4015.8916 20540.9977 14465.4348 262.4774 -203558.6301 2061.7083 0.0000 0.0000 51953.3254 -110258.7949 298.5765 -162212.1203 -109888.2954 298.4106 -188.0290 -161.7547 758551.1531 18.8373 18.9112 PRESSURE: 105000 -11.6771 184.402 -65.856 184.401 -155.69 28.558 -65.8572 28.5592 -1.45813 GPRESSURE: 105000 75.4666 231.392 -112.968 183.599 -141.377 12.5631 117.413 98.5911 -15.8462 PRESSAVG: 105000 49.3934 -35.3799 -26.0603 -35.38 -54.2861 51.8269 -26.0604 51.827 1.44061 GPRESSAVG: 105000 49.097 -34.1261 -27.0358 -37.6149 -55.6717 51.7113 -23.7885 51.5545 2.93175 TIMING: 105000 CPU: 333.688, 0.0032267/step Wall: 333.688, 0.0032267/step, 4.38742 hours remaining, 230.019531 MB of memory in use. ENERGY: 105000 4066.7311 20453.9236 14419.0227 238.3259 -203708.0112 2404.9872 0.0000 0.0000 52196.2079 -109928.8128 299.9723 -162125.0207 -109568.0723 298.7266 -56.2751 -27.2521 760205.1447 -1.1507 -1.2143 PRESSURE: 105200 187.417 222.339 -70.0209 222.339 257.062 -16.2576 -70.021 -16.2594 -11.373 GPRESSURE: 105200 174.382 111.064 -94.9746 163.575 312.641 -13.9678 -43.8896 -6.58847 28.6024 PRESSAVG: 105200 78.1511 4.89841 -6.15702 4.89833 -21.1189 21.8762 -6.15706 21.876 -4.76902 GPRESSAVG: 105200 78.1309 4.327 -5.13041 4.82875 -21.2699 23.754 -6.67405 22.1388 -4.82242 TIMING: 105200 CPU: 334.331, 0.00321469/step Wall: 334.331, 0.00321469/step, 4.3709 hours remaining, 230.222656 MB of memory in use. ENERGY: 105200 3896.3126 20549.4643 14435.0882 268.1850 -203489.7465 2509.1800 0.0000 0.0000 51926.5227 -109904.9937 298.4224 -161831.5164 -109538.9152 299.0000 144.3688 171.8751 760132.4722 17.4211 17.3462 PRESSURE: 105400 542.833 33.0672 -131.508 33.067 -441.574 39.8488 -131.509 39.8485 -91.3871 GPRESSURE: 105400 525.838 9.28711 -225.517 67.6161 -345.549 -10.3032 -59.4792 39.5772 -75.899 PRESSAVG: 105400 65.1841 10.9782 -18.4167 10.9781 -18.5582 14.2343 -18.4167 14.2343 7.67642 GPRESSAVG: 105400 64.9234 10.295 -19.3308 11.1929 -17.6157 13.2881 -18.2589 14.8918 7.15536 TIMING: 105400 CPU: 334.972, 0.00320236/step Wall: 334.972, 0.00320236/step, 4.35397 hours remaining, 230.289062 MB of memory in use. ENERGY: 105400 3971.0568 20422.5196 14458.6273 258.0985 -203797.3739 2732.9936 0.0000 0.0000 51900.4424 -110053.6356 298.2726 -161954.0780 -109685.3496 298.9984 3.2905 34.7966 759300.8471 18.1008 18.1544 PRESSURE: 105600 -52.5456 -257.261 -70.6922 -257.261 -10.1911 -120.28 -70.6921 -120.281 221.417 GPRESSURE: 105600 -98.2803 -225.111 -18.8184 -272.787 99.3289 -65.2857 -187.486 -234.028 229.412 PRESSAVG: 105600 45.9265 -18.9333 -11.9714 -18.9333 -57.3811 -0.221189 -11.9714 -0.221304 10.4608 GPRESSAVG: 105600 46.1349 -18.2903 -11.5984 -18.7462 -58.2271 -0.505429 -12.6835 -2.42749 10.4404 TIMING: 105600 CPU: 335.608, 0.00318214/step Wall: 335.608, 0.00318214/step, 4.32629 hours remaining, 230.289062 MB of memory in use. ENERGY: 105600 4029.2312 20395.1963 14453.3260 248.9140 -203832.1308 2620.6056 0.0000 0.0000 52062.3418 -110022.5160 299.2030 -162084.8577 -109655.3971 298.8135 52.8935 76.8201 758590.6523 -0.3313 -0.5506 PRESSURE: 105800 -220.188 -163.622 97.7579 -163.621 -50.4936 -75.6082 97.7585 -75.6071 -329.111 GPRESSURE: 105800 -163.618 -184.982 155.969 -128.971 -66.9717 -75.7918 140.748 3.33053 -306.593 PRESSAVG: 105800 36.7649 -39.5087 -5.39042 -39.5087 -7.93566 -46.0503 -5.39043 -46.0503 -10.4183 GPRESSAVG: 105800 36.6121 -38.7352 -6.56313 -39.0922 -7.21987 -47.3226 -3.46595 -43.7146 -10.7756 TIMING: 105800 CPU: 336.248, 0.0031993/step Wall: 336.248, 0.0031993/step, 4.34945 hours remaining, 230.289062 MB of memory in use. ENERGY: 105800 4049.8757 20372.6313 14464.0094 253.0992 -203760.7236 2356.0607 0.0000 0.0000 52030.0582 -110234.9890 299.0175 -162265.0473 -109874.4120 298.5360 -199.9309 -179.0609 759623.4892 6.1370 6.2056 PRESSURE: 106000 -245.584 35.4015 -25.7385 35.401 -14.5924 260.592 -25.739 260.591 95.3854 GPRESSURE: 106000 -224.363 85.4496 -22.5029 -48.2673 -22.2878 327.042 142.841 127.735 161.436 PRESSAVG: 106000 -53.6363 -44.2509 -0.11399 -44.2509 58.2704 15.6255 -0.113973 15.6254 -8.45717 GPRESSAVG: 106000 -54.753 -47.6376 1.59114 -42.9781 58.1852 16.4169 -1.61857 15.7391 -7.81805 TIMING: 106000 CPU: 336.891, 0.00321302/step Wall: 336.891, 0.00321302/step, 4.36792 hours remaining, 230.289062 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: 106000 4026.5261 20466.1211 14390.2606 250.1051 -203468.2901 2397.0889 0.0000 0.0000 51758.9698 -110179.2185 297.4595 -161938.1883 -109823.6263 298.3078 -54.9302 -28.4051 759074.7265 -1.2744 -1.4620 PRESSURE: 106200 64.6687 -102.475 -24.9071 -102.476 -17.3988 -33.7261 -24.9069 -33.7261 13.1733 GPRESSURE: 106200 54.7956 -49.6165 26.3064 -57.5527 91.8606 26.1801 31.6028 -100.997 3.83183 PRESSAVG: 106200 14.5891 -52.852 6.92636 -52.852 -3.43671 -48.9797 6.92638 -48.9798 -2.37003 GPRESSAVG: 106200 16.0532 -50.4797 7.11902 -54.3556 -4.79999 -48.7916 7.97122 -50.9011 -2.41292 TIMING: 106200 CPU: 337.535, 0.00322284/step Wall: 337.535, 0.00322284/step, 4.38109 hours remaining, 230.289062 MB of memory in use. ENERGY: 106200 3918.2778 20425.5373 14482.1819 255.3524 -203776.3603 2408.3125 0.0000 0.0000 52239.5359 -110047.1626 300.2213 -162286.6985 -109678.1686 298.7053 20.1477 50.1627 759666.3706 2.9275 2.9468 PRESSURE: 106400 12.6686 -111.473 24.5373 -111.474 -150.175 -63.7262 24.5367 -63.7258 164.411 GPRESSURE: 106400 -100.907 -88.2625 -32.469 -80.2268 -23.894 -137.563 -22.1868 -34.3587 237.738 PRESSAVG: 106400 7.35763 0.679941 20.0876 0.679962 -5.00882 -12.8614 20.0875 -12.8615 -7.39373 GPRESSAVG: 106400 6.47132 -0.0257342 19.7455 2.30284 -4.13053 -11.6734 17.3831 -12.3536 -7.60684 TIMING: 106400 CPU: 338.178, 0.00321203/step Wall: 338.178, 0.00321203/step, 4.36622 hours remaining, 230.289062 MB of memory in use. ENERGY: 106400 4007.8688 20382.4639 14456.5434 258.7919 -204131.7200 2719.6957 0.0000 0.0000 52279.4050 -110026.9513 300.4505 -162306.3563 -109663.4753 299.2290 8.9682 37.6457 761681.8841 -1.6816 -1.7553 PRESSURE: 106600 -120.216 -20.4234 162.787 -20.4232 -87.7068 -129.419 162.787 -129.42 153.602 GPRESSURE: 106600 -154.924 -84.4006 137.112 -41.2118 14.41 -15.6781 161.095 -31.201 162.563 PRESSAVG: 106600 -34.0382 -69.8281 12.2926 -69.8281 -4.45846 4.17969 12.2926 4.17971 -20.2949 GPRESSAVG: 106600 -33.2585 -69.0448 10.9903 -71.0376 -4.96139 2.42253 12.8095 5.54585 -20.3385 TIMING: 106600 CPU: 338.824, 0.00323282/step Wall: 338.824, 0.00323282/step, 4.39429 hours remaining, 230.289062 MB of memory in use. ENERGY: 106600 3977.3832 20497.0122 14416.2575 255.9873 -203727.8873 2478.7356 0.0000 0.0000 52216.0672 -109886.4443 300.0865 -162102.5115 -109516.4949 299.2151 -18.1068 7.3496 759300.5831 -19.5972 -19.5195 PRESSURE: 106800 -394.447 -104.205 301.971 -104.205 -364.118 -99.7009 301.971 -99.7016 116.12 GPRESSURE: 106800 -364.424 -147.883 237.48 -35.1228 -281.737 -105.464 312.588 -102.543 101.474 PRESSAVG: 106800 -2.89219 -31.0061 28.2465 -31.0062 8.51342 -18.368 28.2466 -18.368 29.4211 GPRESSAVG: 106800 -2.47195 -33.1865 29.2087 -32.4274 7.86642 -17.5594 29.4396 -18.1 29.3092 TIMING: 106800 CPU: 339.465, 0.00320459/step Wall: 339.465, 0.00320459/step, 4.35574 hours remaining, 230.289062 MB of memory in use. ENERGY: 106800 3996.6510 20379.0621 14529.5776 244.0018 -203205.9969 2334.0828 0.0000 0.0000 51967.8341 -109754.7877 298.6599 -161722.6217 -109393.8154 298.6489 -214.1483 -181.5622 761752.1289 11.6808 11.5679 PRESSURE: 107000 192.195 -65.0889 226.687 -65.0882 22.6772 164.833 226.687 164.832 136.355 GPRESSURE: 107000 177.551 -95.8362 233.799 -74.7881 86.8811 215.749 261.126 120.329 159.913 PRESSAVG: 107000 -64.1098 5.58872 82.4505 5.58871 40.2297 44.8979 82.4505 44.8979 29.9263 GPRESSAVG: 107000 -64.6175 6.08641 83.2109 8.72698 41.0287 44.5322 81.7049 42.475 29.3962 TIMING: 107000 CPU: 340.101, 0.00317839/step Wall: 340.101, 0.00317839/step, 4.31996 hours remaining, 230.289062 MB of memory in use. ENERGY: 107000 3974.1177 20562.4823 14533.4410 259.2343 -203355.0065 2414.6377 0.0000 0.0000 51990.1596 -109620.9339 298.7882 -161611.0935 -109263.5931 299.1015 117.0759 141.4486 761914.6672 2.0154 1.9358 PRESSURE: 107200 134.543 -160.365 -191.145 -160.366 118.491 -212.913 -191.145 -212.913 -115.377 GPRESSURE: 107200 129.713 -201.893 -241.914 -135.876 104.998 -113.024 -246.227 -385.488 -34.0243 PRESSAVG: 107200 -16.3325 11.4222 -5.75307 11.4221 58.4089 6.02374 -5.75309 6.02379 -6.96674 GPRESSAVG: 107200 -15.7247 11.4855 -7.00282 10.4385 57.449 6.86424 -6.13905 8.41449 -6.86376 TIMING: 107200 CPU: 340.742, 0.00320358/step Wall: 340.742, 0.00320358/step, 4.35402 hours remaining, 230.289062 MB of memory in use. ENERGY: 107200 3965.2209 20760.4138 14492.7398 251.1507 -203669.9917 2688.5496 0.0000 0.0000 52003.2420 -109508.6748 298.8633 -161511.9169 -109154.5649 299.5511 45.8855 66.8955 761474.9206 11.7032 11.6202 PRESSURE: 107400 217.204 -177.634 -104.482 -177.634 -103.619 111.455 -104.482 111.455 99.9184 GPRESSURE: 107400 154.115 -245.542 -96.4553 -251.07 3.82268 170.519 -62.6677 7.9153 161.934 PRESSAVG: 107400 -65.5265 -29.9507 -1.003 -29.9506 11.9473 70.2508 -1.00294 70.2507 -9.31006 GPRESSAVG: 107400 -67.2009 -31.5042 -1.17674 -31.2737 12.628 69.8423 -0.679766 69.3015 -8.29623 TIMING: 107400 CPU: 341.386, 0.00322398/step Wall: 341.386, 0.00322398/step, 4.38157 hours remaining, 230.289062 MB of memory in use. ENERGY: 107400 3967.8003 20661.1535 14505.0864 249.3984 -203852.9911 2702.6764 0.0000 0.0000 52210.5185 -109556.3576 300.0546 -161766.8761 -109199.2342 299.8893 71.1677 106.6241 761260.3583 -20.9631 -20.9564 PRESSURE: 107600 -165.158 22.5352 -116.586 22.5355 2.27803 -129.662 -116.586 -129.662 -458.774 GPRESSURE: 107600 -145.005 12.2637 -93.6306 -122.837 21.662 -164.89 -220.861 -61.51 -399.427 PRESSAVG: 107600 11.7692 -0.446084 41.4478 -0.446026 -23.6199 37.3427 41.4478 37.3428 -15.2885 GPRESSAVG: 107600 12.0183 1.23642 41.1044 1.62762 -23.8765 36.4821 41.5345 37.0021 -15.1926 TIMING: 107600 CPU: 342.026, 0.00319662/step Wall: 342.026, 0.00319662/step, 4.34421 hours remaining, 230.289062 MB of memory in use. ENERGY: 107600 4017.4918 20292.9749 14410.5466 238.3570 -203177.3914 2374.0241 0.0000 0.0000 52148.1348 -109695.8623 299.6960 -161843.9971 -109331.7331 299.3657 -207.2181 -174.2568 760909.1894 -9.0464 -9.0169 PRESSURE: 107800 -97.0955 -17.7337 89.4479 -17.7333 128.543 -3.9951 89.4486 -3.99501 43.613 GPRESSURE: 107800 78.2828 -55.805 113.208 -58.5554 62.3844 -41.2741 41.0648 91.7072 23.3088 PRESSAVG: 107800 -41.8303 37.9193 -2.38176 37.9193 26.374 23.1 -2.38179 23.1 13.4664 GPRESSAVG: 107800 -41.345 37.632 -1.36296 37.1268 26.143 23.5781 -4.25063 23.8929 12.8946 TIMING: 107800 CPU: 342.664, 0.00319315/step Wall: 342.664, 0.00319315/step, 4.33932 hours remaining, 230.289062 MB of memory in use. ENERGY: 107800 3989.3762 20480.1676 14492.7257 252.1053 -203440.4354 2429.8444 0.0000 0.0000 51986.1589 -109810.0573 298.7652 -161796.2162 -109450.9486 299.4598 25.0202 54.6587 759448.0663 -0.6633 -0.7691 PRESSURE: 108000 54.5854 -11.7093 44.0347 -11.7085 91.4236 93.2444 44.0334 93.2442 -261.688 GPRESSURE: 108000 130.955 -96.1938 39.5701 47.8145 38.249 157.792 18.6778 -24.3066 -209.04 PRESSAVG: 108000 -18.4036 -6.95412 2.08544 -6.95404 44.5102 1.21515 2.08546 1.21527 -6.83094 GPRESSAVG: 108000 -19.079 -6.77968 1.50471 -6.14642 44.9244 1.51194 3.70896 -0.922481 -6.78201 TIMING: 108000 CPU: 343.306, 0.00320806/step Wall: 343.306, 0.00320806/step, 4.35939 hours remaining, 230.289062 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: 108000 4003.3166 20514.3926 14468.8697 221.3143 -203249.5178 2285.0569 0.0000 0.0000 51960.0690 -109796.4988 298.6152 -161756.5677 -109430.0309 299.0556 -38.5596 -13.2785 760570.8813 6.4252 6.3545 PRESSURE: 108200 -156.34 143.637 -142.673 143.636 431.887 103.479 -142.673 103.48 757.55 GPRESSURE: 108200 -64.956 -13.6584 -139.025 184.348 469.381 25.6121 -171.773 216.385 714.475 PRESSAVG: 108200 -3.26278 -22.0194 -4.33333 -22.0194 -1.20712 10.3923 -4.33335 10.3923 11.4571 GPRESSAVG: 108200 -2.87245 -24.0436 -4.24557 -22.0074 -2.00828 10.8687 -4.73199 11.0971 11.567 TIMING: 108200 CPU: 343.952, 0.00323012/step Wall: 343.952, 0.00323012/step, 4.38919 hours remaining, 230.289062 MB of memory in use. ENERGY: 108200 3969.7942 20568.5331 14419.3910 277.2878 -203724.8390 2624.0738 0.0000 0.0000 51861.2466 -110004.5126 298.0473 -161865.7592 -109641.9301 298.5401 344.3655 372.9665 759531.5117 2.3290 2.2288 LDB: ============= START OF LOAD BALANCING ============== 356.379 LDB: ============== END OF LOAD BALANCING =============== 356.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 356.381 LDB: ============= START OF LOAD BALANCING ============== 356.702 LDB: Largest compute 7047 load 0.035548 is 18.3% of average load 0.194751 LDB: Average compute 0.004400 is 2.3% of average load 0.194751 LDB: TIME 356.705 LOAD: AVG 0.194751 MAX 0.212018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.605 MB LDB: TIME 356.705 LOAD: AVG 0.194751 MAX 0.212018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.676 MB LDB: TIME 356.705 LOAD: AVG 0.194751 MAX 0.212018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.676 MB LDB: ============== END OF LOAD BALANCING =============== 356.707 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 356.712 PRESSURE: 108400 49.709 -393.017 54.4073 -393.017 182.533 -255.647 54.4063 -255.647 -283.441 GPRESSURE: 108400 160.889 -458.061 10.3578 -309.135 221.601 -273.039 133.613 -148.802 -366.949 PRESSAVG: 108400 -89.0695 -36.3621 12.9016 -36.362 96.4087 27.6715 12.9016 27.6716 -5.58747 GPRESSAVG: 108400 -88.9343 -35.0481 14.1788 -37.8074 96.3099 26.4722 13.5651 29.3686 -6.39431 TIMING: 108400 CPU: 344.606, 0.00327118/step Wall: 344.606, 0.00327118/step, 4.4448 hours remaining, 229.753906 MB of memory in use. ENERGY: 108400 4067.5974 20466.7592 14406.1265 257.9977 -203898.4364 2784.7265 0.0000 0.0000 51955.5392 -109959.6900 298.5892 -161915.2291 -109597.1906 298.2684 -17.0663 5.1805 760614.4357 0.5839 0.3271 PRESSURE: 108600 -316.226 116.021 -45.9132 116.022 -132.583 303.821 -45.9134 303.822 -78.111 GPRESSURE: 108600 -265.165 99.2793 -56.8445 129.583 -20.5987 277.542 -13.9099 278.751 -147.597 PRESSAVG: 108600 -30.545 1.70297 7.64607 1.70296 9.1648 -5.22673 7.64604 -5.22677 12.3648 GPRESSAVG: 108600 -31.0598 4.21821 7.97647 1.68299 9.72818 -5.38187 6.79531 -6.01591 12.9301 TIMING: 108600 CPU: 345.255, 0.00324254/step Wall: 345.255, 0.00324254/step, 4.40571 hours remaining, 229.957031 MB of memory in use. ENERGY: 108600 3892.5746 20442.9359 14405.1472 252.8982 -203215.6717 2461.2343 0.0000 0.0000 51821.6496 -109939.2318 297.8197 -161760.8814 -109573.1541 298.3196 -175.6397 -144.4536 761424.5666 -3.0052 -2.8005 PRESSURE: 108800 224.378 -26.0662 -48.243 -26.0665 66.889 250.541 -48.2427 250.54 12.7275 GPRESSURE: 108800 248.266 -35.8614 -65.2054 -45.4562 100.807 229.328 -7.32124 327.383 56.3105 PRESSAVG: 108800 45.4326 -15.7064 7.75717 -15.7064 -22.989 -13.1108 7.75719 -13.1108 -6.2256 GPRESSAVG: 108800 44.9088 -18.3401 6.66027 -14.6364 -22.3718 -12.3245 7.57293 -13.7267 -6.37664 TIMING: 108800 CPU: 345.896, 0.00320512/step Wall: 345.896, 0.00320512/step, 4.35469 hours remaining, 229.957031 MB of memory in use. ENERGY: 108800 3931.4723 20494.9379 14382.6562 252.7328 -203231.1227 2597.9678 0.0000 0.0000 51832.1882 -109739.1675 297.8803 -161571.3557 -109388.4871 298.9003 101.3315 135.1277 762910.8706 5.4060 5.3868 PRESSURE: 109000 149.012 141.527 253.849 141.527 440.52 356.436 253.849 356.437 109.848 GPRESSURE: 109000 144.511 49.0814 263.131 128.997 461.33 338.265 163.751 152.346 168.135 PRESSAVG: 109000 -1.8296 -22.7992 10.1995 -22.7991 -1.7072 54.7561 10.1995 54.7561 29.9502 GPRESSAVG: 109000 -2.17736 -22.6875 10.4315 -21.5016 -1.37826 53.81 11.2915 54.837 29.4753 TIMING: 109000 CPU: 346.541, 0.00322817/step Wall: 346.541, 0.00322817/step, 4.38582 hours remaining, 229.957031 MB of memory in use. ENERGY: 109000 3960.5649 20457.8526 14486.7082 226.1666 -203378.4746 2457.0242 0.0000 0.0000 52114.4535 -109675.7045 299.5025 -161790.1580 -109313.5608 299.0174 233.1266 257.9919 760800.6195 8.8045 8.6399 PRESSURE: 109200 146.697 -8.64601 39.2158 -8.64622 -175.93 -85.2628 39.216 -85.2627 -28.5731 GPRESSURE: 109200 234.711 74.6351 -15.5266 32.1677 -177.554 -129.675 8.66991 -122.723 -42.7241 PRESSAVG: 109200 29.3089 -34.0615 -8.74599 -34.0615 -1.40257 10.167 -8.74604 10.167 -6.07926 GPRESSAVG: 109200 29.7832 -28.4983 -8.97445 -36.2574 -2.68957 10.0975 -9.76495 8.6124 -5.74273 TIMING: 109200 CPU: 347.181, 0.00320009/step Wall: 347.181, 0.00320009/step, 4.34749 hours remaining, 229.957031 MB of memory in use. ENERGY: 109200 4062.1896 20543.7040 14362.6665 248.9278 -203388.2051 2486.9606 0.0000 0.0000 52025.5693 -109658.1873 298.9917 -161683.7566 -109286.3263 299.1971 -19.2685 4.8111 761508.2610 7.2757 7.1170 PRESSURE: 109400 128.505 9.54202 26.7832 9.54196 375.654 130.535 26.7841 130.536 111.377 GPRESSURE: 109400 180.112 91.2324 96.3728 -23.3615 393.215 132.059 -69.1628 207.463 139.401 PRESSAVG: 109400 22.4403 -42.8298 10.8716 -42.8298 -3.6151 11.8269 10.8717 11.8269 8.19501 GPRESSAVG: 109400 22.6273 -43.9242 9.38465 -42.5882 -3.06449 12.3596 11.1027 14.0073 7.925 TIMING: 109400 CPU: 347.824, 0.00321391/step Wall: 347.824, 0.00321391/step, 4.36609 hours remaining, 229.957031 MB of memory in use. ENERGY: 109400 4039.2702 20586.5069 14411.4673 248.3057 -203682.6216 2580.6846 0.0000 0.0000 52136.9990 -109679.3880 299.6320 -161816.3870 -109322.2784 299.1899 205.1787 237.5758 759648.4849 9.0067 9.1626 PRESSURE: 109600 -294.377 90.1316 -175.25 90.131 84.8465 -109.708 -175.251 -109.708 351.162 GPRESSURE: 109600 -184.676 150.739 -123.872 10.8321 81.1256 -145.077 -160.983 -307.21 325.841 PRESSAVG: 109600 -20.0984 -47.6129 22.1572 -47.613 67.2304 26.1823 22.1572 26.1822 -23.8057 GPRESSAVG: 109600 -20.7113 -49.735 24.0666 -46.8277 67.2402 25.1478 21.3622 26.7661 -23.1861 TIMING: 109600 CPU: 348.475, 0.0032555/step Wall: 348.475, 0.0032555/step, 4.42242 hours remaining, 229.957031 MB of memory in use. ENERGY: 109600 3940.4414 20540.4227 14421.4849 252.4700 -202856.4178 2187.9744 0.0000 0.0000 52195.1567 -109318.4677 299.9663 -161513.6244 -108956.2054 299.7789 47.2106 74.0970 761420.9225 7.7754 7.7809 PRESSURE: 109800 -144.234 -72.3971 -45.6476 -72.3973 -75.7342 91.9334 -45.6478 91.9344 129.376 GPRESSURE: 109800 -96.1952 -47.0734 -76.0671 -106.904 -24.8815 33.8878 -210.138 52.3001 132.162 PRESSAVG: 109800 -51.2279 -12.7593 -2.60423 -12.7592 59.477 -68.6559 -2.60427 -68.6559 2.24727 GPRESSAVG: 109800 -50.6579 -10.7894 -3.35764 -12.6358 58.9336 -68.1796 -1.07484 -69.5133 2.70362 TIMING: 109800 CPU: 349.122, 0.00323374/step Wall: 349.122, 0.00323374/step, 4.39268 hours remaining, 229.957031 MB of memory in use. ENERGY: 109800 3976.6122 20687.1371 14441.8150 264.6870 -203170.6155 2251.0885 0.0000 0.0000 52287.3922 -109261.8835 300.4964 -161549.2757 -108897.6155 299.8183 -30.1973 3.6951 758410.1838 3.4988 3.6598 PRESSURE: 110000 217.431 36.3175 43.9412 36.3169 35.4475 -92.9398 43.9411 -92.9394 -323.774 GPRESSURE: 110000 247.036 39.7652 43.2734 -0.930837 94.1938 -94.51 168.639 -62.1079 -323.363 PRESSAVG: 110000 -12.1128 6.87911 10.4365 6.87907 29.6003 -44.6942 10.4365 -44.6943 1.73653 GPRESSAVG: 110000 -13.6358 5.60377 9.56875 6.84587 30.9799 -43.6442 11.0074 -44.5623 2.13964 TIMING: 110000 CPU: 349.772, 0.00324843/step Wall: 349.772, 0.00324843/step, 4.41245 hours remaining, 229.957031 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: 110000 4016.7997 20490.6883 14467.4256 276.7185 -203711.4963 2581.1755 0.0000 0.0000 52327.7224 -109550.9663 300.7281 -161878.6887 -109186.1144 300.5383 -23.6318 5.9558 758729.5259 6.4080 6.4946 PRESSURE: 110200 48.6691 -147.942 18.1187 -147.942 -167.446 277.5 18.1183 277.5 97.9832 GPRESSURE: 110200 67.2811 -222.147 -47.2683 -154.113 -94.8005 379.871 21.5439 224.685 100.079 PRESSAVG: 110200 -15.1218 31.5961 23.3012 31.5962 48.4225 38.5605 23.3012 38.5606 -6.63454 GPRESSAVG: 110200 -13.1663 31.1649 23.3777 30.7291 47.7391 38.6977 22.5436 36.7013 -8.34268 TIMING: 110200 CPU: 350.414, 0.00320909/step Wall: 350.414, 0.00320909/step, 4.35884 hours remaining, 229.957031 MB of memory in use. ENERGY: 110200 4082.7264 20570.2296 14417.9161 248.5459 -203214.6113 2381.7467 0.0000 0.0000 51884.7476 -109628.6990 298.1824 -161513.4466 -109273.6664 299.7350 -6.9314 24.1864 760148.6967 8.8887 8.7434 PRESSURE: 110400 -31.9368 106.903 73.8717 106.903 -69.9309 -86.4389 73.8722 -86.4394 -73.0898 GPRESSURE: 110400 -80.4025 52.7416 97.9229 86.197 26.041 -110.732 92.3392 -152.13 -22.3752 PRESSAVG: 110400 -34.8729 4.02676 15.5432 4.0268 11.6526 36.7452 15.5432 36.7452 11.0631 GPRESSAVG: 110400 -35.6878 3.75778 15.8384 3.93762 12.0626 38.1806 14.5793 36.8843 12.3035 TIMING: 110400 CPU: 351.068, 0.00327263/step Wall: 351.068, 0.00327263/step, 4.44497 hours remaining, 229.957031 MB of memory in use. ENERGY: 110400 4063.5601 20606.4977 14468.6269 232.5923 -203985.9397 2810.7916 0.0000 0.0000 52210.9986 -109592.8725 300.0573 -161803.8711 -109241.3967 299.2870 -58.3192 -25.5789 760729.0388 -4.0524 -3.7739 PRESSURE: 110600 25.5981 -110.295 -31.501 -110.295 -199.618 -175.532 -31.5016 -175.533 -29.2923 GPRESSURE: 110600 66.2773 0.0458121 -62.6965 -220.046 -212.237 -127.793 16.4364 -126.652 25.9304 PRESSAVG: 110600 -39.4383 -6.20573 6.75975 -6.20574 49.0034 -17.1942 6.75982 -17.1943 -20.9068 GPRESSAVG: 110600 -39.5276 -5.82776 7.13308 -7.72267 49.9024 -18.5391 9.31277 -14.7611 -21.8991 TIMING: 110600 CPU: 351.712, 0.00321926/step Wall: 351.712, 0.00321927/step, 4.3723 hours remaining, 229.957031 MB of memory in use. ENERGY: 110600 4006.8051 20684.9096 14431.5912 260.7551 -203251.0571 2248.9882 0.0000 0.0000 52065.9579 -109552.0500 299.2238 -161618.0079 -109193.9023 299.6781 -67.7709 -40.0098 761240.8660 -3.7805 -3.8414 PRESSURE: 110800 42.4123 -217.962 20.1513 -217.961 248.117 250.818 20.1521 250.816 -73.6556 GPRESSURE: 110800 111.993 -207.106 32.1084 -185.123 259.371 276.629 62.7046 139.741 -89.0319 PRESSAVG: 110800 -23.1378 -35.7734 -6.21255 -35.7734 10.6108 27.4878 -6.21252 27.4878 17.2441 GPRESSAVG: 110800 -23.6915 -35.2472 -5.56919 -33.5727 9.18848 28.552 -7.73867 24.9591 18.7216 TIMING: 110800 CPU: 352.345, 0.00316569/step Wall: 352.345, 0.00316569/step, 4.29936 hours remaining, 229.957031 MB of memory in use. ENERGY: 110800 4010.3189 20585.3172 14475.8930 256.3035 -203290.6997 2174.1263 0.0000 0.0000 52204.0679 -109584.6729 300.0175 -161788.7408 -109217.9277 299.7916 72.2913 94.1107 761554.5339 1.5724 1.4062 PRESSURE: 111000 117.801 -190.658 -6.87231 -190.658 244.585 60.1869 -6.87284 60.1865 260.594 GPRESSURE: 111000 108.548 -202.882 -120.895 -142.41 320.708 80.496 -55.5669 -4.53244 269.867 PRESSAVG: 111000 60.7792 9.09852 0.720544 9.09844 -28.5825 4.48926 0.720579 4.48936 10.4992 GPRESSAVG: 111000 61.3653 8.16403 0.607342 8.88523 -28.9646 3.56002 1.77545 5.68633 10.4307 TIMING: 111000 CPU: 352.98, 0.00317599/step Wall: 352.98, 0.00317599/step, 4.31317 hours remaining, 229.957031 MB of memory in use. ENERGY: 111000 4035.2149 20536.8558 14486.0711 213.5081 -203338.6298 2479.7286 0.0000 0.0000 51972.2321 -109615.0192 298.6851 -161587.2513 -109241.1716 299.2474 207.6603 233.0410 760766.1658 14.2320 14.2771 PRESSURE: 111200 -252.927 170.974 342.991 170.974 -171.627 82.3893 342.991 82.3891 -191.457 GPRESSURE: 111200 -165.126 109.127 370.147 -13.263 -140.21 60.2715 264.228 81.1554 -245.647 PRESSAVG: 111200 -4.35857 -30.7838 28.8469 -30.7838 2.29148 -6.52814 28.8469 -6.52818 -1.79273 GPRESSAVG: 111200 -3.28903 -30.8572 28.0317 -30.8913 1.92011 -6.66882 26.9877 -5.81551 -2.44904 TIMING: 111200 CPU: 353.614, 0.00317084/step Wall: 353.614, 0.00317084/step, 4.306 hours remaining, 229.957031 MB of memory in use. ENERGY: 111200 4008.5228 20498.8159 14448.0132 234.5633 -203603.6267 2437.5015 0.0000 0.0000 52243.4452 -109732.7648 300.2438 -161976.2100 -109369.8058 299.3808 -205.3366 -183.6609 762597.8184 -1.2866 -1.2727 PRESSURE: 111400 0.0128771 -147.404 56.513 -147.404 -202.196 -99.9709 56.5126 -99.9715 -195.7 GPRESSURE: 111400 -155.15 -96.7004 41.9302 -98.2766 -78.274 7.37796 74.9093 -79.2069 -69.5847 PRESSAVG: 111400 -14.8915 2.42168 -4.38774 2.42167 21.2709 29.7679 -4.38781 29.7679 -17.7587 GPRESSAVG: 111400 -16.8938 2.2886 -4.19564 4.86369 23.3735 29.5313 -3.46717 28.7754 -17.8842 TIMING: 111400 CPU: 354.256, 0.00320903/step Wall: 354.256, 0.00320903/step, 4.35769 hours remaining, 229.957031 MB of memory in use. ENERGY: 111400 3878.8324 20481.7269 14483.7393 249.5112 -203279.1853 2391.1853 0.0000 0.0000 52062.6216 -109731.5686 299.2046 -161794.1902 -109359.6357 299.2034 -132.6276 -101.0029 760731.6156 -3.7931 -3.8015 PRESSURE: 111600 107.805 156.937 -37.4253 156.937 283.601 166.816 -37.4252 166.816 181.968 GPRESSURE: 111600 236.853 69.3588 -45.9638 56.2558 240.566 203.283 -127.824 163.072 194.216 PRESSAVG: 111600 3.66146 27.4702 11.3077 27.4702 23.7195 31.141 11.3076 31.1409 12.8807 GPRESSAVG: 111600 4.7032 28.6607 10.7956 24.4241 22.1356 31.502 11.8549 30.4154 13.8779 TIMING: 111600 CPU: 354.896, 0.00319918/step Wall: 354.896, 0.00319918/step, 4.34414 hours remaining, 229.957031 MB of memory in use. ENERGY: 111600 4027.6207 20519.5729 14435.5024 242.0893 -203690.2694 2602.7076 0.0000 0.0000 52222.3653 -109640.4112 300.1227 -161862.7766 -109271.0267 299.4555 191.1245 223.8785 760259.2575 13.4205 13.5722 PRESSURE: 111800 73.9993 -143.702 -101.279 -143.702 11.0319 110.72 -101.279 110.72 373.159 GPRESSURE: 111800 138.189 -123.874 -119.145 -81.3821 56.3028 88.1352 -56.3379 91.8332 351.441 PRESSAVG: 111800 17.2179 -19.9777 5.7807 -19.9777 35.1707 1.18013 5.78072 1.18007 19.2443 GPRESSAVG: 111800 18.1796 -21.849 5.32244 -17.7009 36.045 1.39575 4.2406 2.26362 17.2948 TIMING: 111800 CPU: 355.533, 0.00318263/step Wall: 355.533, 0.00318263/step, 4.32149 hours remaining, 229.957031 MB of memory in use. ENERGY: 111800 3990.5314 20366.2182 14436.0716 236.2669 -203323.0674 2536.1379 0.0000 0.0000 52064.5511 -109693.2904 299.2157 -161757.8415 -109318.3325 299.1573 152.7300 181.9777 761157.4466 23.8776 23.8398 PRESSURE: 112000 -147.136 -189.347 -72.5956 -189.347 -305.616 13.1842 -72.595 13.1842 62.1447 GPRESSURE: 112000 -183.862 -163.885 -63.1045 -207.384 -168.756 44.4157 -31.8308 -79.5748 53.2942 PRESSAVG: 112000 29.0249 -7.47645 -41.2477 -7.47642 8.54579 -26.9354 -41.2477 -26.9354 -2.64146 GPRESSAVG: 112000 27.7032 -4.00022 -40.2921 -9.79975 8.35207 -27.9244 -40.2302 -27.6666 -0.8617 TIMING: 112000 CPU: 356.168, 0.00317642/step Wall: 356.168, 0.00317642/step, 4.31288 hours remaining, 229.957031 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: 112000 4003.7825 20521.3534 14477.4819 260.4106 -203254.8366 2407.1482 0.0000 0.0000 51968.2510 -109616.4090 298.6623 -161584.6601 -109258.0244 299.3444 -130.2026 -99.7745 762082.5371 11.6431 11.7312 PRESSURE: 112200 -230.442 -147.991 172.448 -147.991 -346.41 -158.459 172.448 -158.46 358.831 GPRESSURE: 112200 -261.426 -92.3932 201.517 -52.9202 -231.212 -176.398 29.0321 -151.868 384.313 PRESSAVG: 112200 14.8198 -37.9495 5.68016 -37.9494 -34.5738 -62.2881 5.68019 -62.2881 1.69903 GPRESSAVG: 112200 16.3375 -40.0331 5.1439 -36.268 -34.0156 -60.861 6.37714 -63.3252 0.695495 TIMING: 112200 CPU: 356.814, 0.0032286/step Wall: 356.814, 0.0032286/step, 4.38355 hours remaining, 229.957031 MB of memory in use. ENERGY: 112200 3995.7643 20516.6840 14496.6634 254.3755 -203404.3585 2488.1981 0.0000 0.0000 52196.8027 -109455.8706 299.9757 -161652.6733 -109098.3930 299.3730 -72.6734 -36.1082 760306.3918 -6.0183 -5.6609 LDB: ============= START OF LOAD BALANCING ============== 369.241 LDB: ============== END OF LOAD BALANCING =============== 369.241 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 369.242 LDB: ============= START OF LOAD BALANCING ============== 369.562 LDB: Largest compute 7064 load 0.034269 is 17.6% of average load 0.194766 LDB: Average compute 0.004398 is 2.3% of average load 0.194766 LDB: TIME 369.565 LOAD: AVG 0.194766 MAX 0.210619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.305 MB LDB: TIME 369.566 LOAD: AVG 0.194766 MAX 0.210619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.305 MB LDB: TIME 369.566 LOAD: AVG 0.194766 MAX 0.210619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.305 MB LDB: ============== END OF LOAD BALANCING =============== 369.568 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 369.573 PRESSURE: 112400 326.592 7.60341 166.012 7.60322 243.207 -266.515 166.012 -266.514 -142.465 GPRESSURE: 112400 302.922 72.9843 83.6577 -33.2804 324.194 -238.005 157.159 -266.737 -142.455 PRESSAVG: 112400 39.4438 -19.4549 -6.97498 -19.455 -25.459 -44.4518 -6.97504 -44.4517 7.61712 GPRESSAVG: 112400 38.5866 -19.6023 -7.9448 -19.7342 -25.4783 -46.2796 -6.34119 -43.4049 7.96897 TIMING: 112400 CPU: 357.466, 0.00326423/step Wall: 357.466, 0.00326423/step, 4.43174 hours remaining, 230.746094 MB of memory in use. ENERGY: 112400 3951.5238 20631.2024 14432.3469 246.8354 -203227.2764 2551.6739 0.0000 0.0000 51965.7886 -109447.9054 298.6481 -161413.6941 -109094.6837 299.6684 142.4446 161.5536 760651.3121 7.2006 7.0258 PRESSURE: 112600 -102.509 131.233 -76.0145 131.233 81.7064 66.4005 -76.0149 66.3997 275.962 GPRESSURE: 112600 -76.7132 48.9566 -116.149 114.43 86.3755 30.9368 -51.4194 34.6679 323.267 PRESSAVG: 112600 25.9756 5.41926 36.6943 5.41926 -9.06637 -35.39 36.6943 -35.3901 -7.02821 GPRESSAVG: 112600 26.4101 4.57953 37.6866 4.95811 -10.6462 -35.5714 37.7878 -36.609 -6.69496 TIMING: 112600 CPU: 358.102, 0.0031797/step Wall: 358.102, 0.0031797/step, 4.31679 hours remaining, 230.746094 MB of memory in use. ENERGY: 112600 3975.6217 20420.8042 14411.4138 242.5915 -203608.6877 2916.1674 0.0000 0.0000 52144.1261 -109497.9630 299.6730 -161642.0891 -109135.7881 299.7294 85.0532 110.9766 760907.4230 3.2937 3.0230 PRESSURE: 112800 -237.669 123.904 -129.545 123.903 108.658 -164.365 -129.546 -164.365 -412.662 GPRESSURE: 112800 -194.871 22.7939 -155.87 58.0057 142.326 -226.368 -26.4487 -35.5576 -411.416 PRESSAVG: 112800 -45.4653 31.0072 6.54364 31.0072 10.8914 -18.4456 6.54363 -18.4456 -6.35977 GPRESSAVG: 112800 -44.3772 34.6514 5.9252 29.1568 10.5354 -18.8149 5.63906 -17.4203 -6.71119 TIMING: 112800 CPU: 358.736, 0.00316917/step Wall: 358.736, 0.00316917/step, 4.30233 hours remaining, 230.746094 MB of memory in use. ENERGY: 112800 4026.7998 20498.2745 14395.9625 246.1528 -203264.4164 2479.2295 0.0000 0.0000 52013.6488 -109604.3486 298.9232 -161617.9974 -109240.6021 299.3352 -180.5573 -154.6539 762025.4174 -13.6446 -13.5176 PRESSURE: 113000 363.509 15.2592 -36.2013 15.2593 -70.185 131.671 -36.201 131.671 -184.775 GPRESSURE: 113000 355.963 51.5517 -31.4657 -29.2472 56.0898 48.444 73.3204 121.758 -213.345 PRESSAVG: 113000 -5.24552 18.2668 -33.647 18.2668 -35.1198 -13.5818 -33.6469 -13.5818 -8.07386 GPRESSAVG: 113000 -6.54182 17.0037 -32.9048 20.3021 -33.1569 -11.732 -32.1246 -14.4875 -8.86072 TIMING: 113000 CPU: 359.37, 0.0031707/step Wall: 359.37, 0.0031707/step, 4.30423 hours remaining, 230.746094 MB of memory in use. ENERGY: 113000 3954.9904 20587.5822 14421.8249 235.6167 -203396.0910 2442.3424 0.0000 0.0000 52084.2401 -109669.4943 299.3288 -161753.7344 -109290.3340 299.1044 36.1830 66.2361 760941.5891 -16.1464 -16.1865 PRESSURE: 113200 230.961 -105.225 -176.318 -105.226 -36.8762 21.7668 -176.318 21.7677 -146.11 GPRESSURE: 113200 279.586 -142.652 -127.031 -169.119 -48.3261 60.207 -167.96 -71.1103 -106.248 PRESSAVG: 113200 14.8106 -7.3869 -36.699 -7.38684 -35.7417 -37.3417 -36.6991 -37.3416 -6.75855 GPRESSAVG: 113200 15.4822 -9.22079 -36.6927 -5.9927 -37.2321 -38.4931 -38.6464 -37.5054 -6.18172 TIMING: 113200 CPU: 360.008, 0.00318707/step Wall: 360.008, 0.00318707/step, 4.32628 hours remaining, 230.746094 MB of memory in use. ENERGY: 113200 3997.2031 20526.5985 14474.9682 243.9770 -203122.7882 2235.8030 0.0000 0.0000 52078.3119 -109565.9266 299.2948 -161644.2385 -109195.7450 299.5611 15.9916 41.6708 761607.7812 -9.2299 -9.3105 PRESSURE: 113400 -160.479 -6.78515 3.10097 -6.78544 -210.539 -113.01 3.10153 -113.009 -554.932 GPRESSURE: 113400 -154.975 1.79833 85.1596 -69.936 -189.475 -151.557 -57.5189 -43.9812 -495.86 PRESSAVG: 113400 4.8605 -8.16829 -25.6035 -8.16825 -11.0524 1.27383 -25.6034 1.27385 14.6329 GPRESSAVG: 113400 4.86719 -6.27233 -25.9471 -10.2771 -9.76189 0.0591136 -25.1474 1.33881 14.1142 TIMING: 113400 CPU: 360.645, 0.00318445/step Wall: 360.645, 0.00318445/step, 4.32253 hours remaining, 230.746094 MB of memory in use. ENERGY: 113400 3979.7811 20444.9466 14491.7774 258.4735 -203285.8143 2479.3636 0.0000 0.0000 52070.9930 -109560.4792 299.2527 -161631.4722 -109190.9654 299.8653 -308.6499 -280.1034 761961.7295 2.8137 3.0732 PRESSURE: 113600 253.943 108.821 111.354 108.821 -46.9613 35.2078 111.355 35.2077 14.7586 GPRESSURE: 113600 250.72 104.571 73.0085 194.047 67.0766 29.3981 143.922 -8.47728 -14.5599 PRESSAVG: 113600 -52.1557 -2.81424 -46.4407 -2.8143 -2.23343 -10.2905 -46.4407 -10.2904 -0.375261 GPRESSAVG: 113600 -53.751 -4.91354 -46.2897 -1.22935 -2.0837 -10.1754 -46.9589 -9.3658 1.19937 TIMING: 113600 CPU: 361.281, 0.00318229/step Wall: 361.281, 0.00318229/step, 4.31943 hours remaining, 230.746094 MB of memory in use. ENERGY: 113600 3983.2787 20572.5649 14419.8607 241.6714 -203489.6672 2665.2411 0.0000 0.0000 52076.2355 -109530.8149 299.2828 -161607.0504 -109177.0204 299.5664 73.9134 101.0788 761251.2501 -18.2548 -18.2118 PRESSURE: 113800 -287.132 -31.9527 133.907 -31.9536 202.301 173.087 133.906 173.086 74.5226 GPRESSURE: 113800 -218.674 56.919 33.0936 -144.436 206.483 158.878 17.3848 103.685 65.9555 PRESSAVG: 113800 12.5445 -71.5393 -51.7688 -71.5392 -2.80967 -28.6065 -51.7688 -28.6064 -18.8125 GPRESSAVG: 113800 14.3647 -70.6973 -52.874 -71.2665 -3.95928 -26.7892 -50.4883 -31.0821 -19.1638 TIMING: 113800 CPU: 361.917, 0.00317768/step Wall: 361.917, 0.00317768/step, 4.31299 hours remaining, 230.746094 MB of memory in use. ENERGY: 113800 3968.7522 20444.1339 14456.9370 265.0828 -203229.7579 2374.8366 0.0000 0.0000 52047.6446 -109672.3707 299.1185 -161720.0154 -109302.7273 299.0949 -3.4361 17.9216 761930.5637 -3.0259 -2.9195 PRESSURE: 114000 233.44 56.3926 -118.126 56.3929 -21.7096 -190.73 -118.126 -190.73 12.0161 GPRESSURE: 114000 226.947 132.255 -62.2579 -15.0714 54.8728 -196.834 -145.57 -54.9484 41.2499 PRESSAVG: 114000 23.8752 -31.9655 -49.6339 -31.9655 10.1171 -38.8801 -49.6338 -38.8801 -24.58 GPRESSAVG: 114000 23.2191 -30.2026 -48.3005 -33.5855 9.25252 -38.1501 -49.4842 -37.4222 -22.9052 TIMING: 114000 CPU: 362.552, 0.00317777/step Wall: 362.552, 0.00317777/step, 4.31294 hours remaining, 230.746094 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: 114000 3977.6181 20598.4150 14483.0716 255.4645 -203623.5719 2779.7212 0.0000 0.0000 51978.5318 -109550.7496 298.7213 -161529.2814 -109204.7925 299.4272 74.5821 107.6900 760760.1780 3.1374 3.1888 PRESSURE: 114200 430.394 149.859 -6.96099 149.859 46.6837 -38.7429 -6.9611 -38.7426 79.5992 GPRESSURE: 114200 487.968 70.6707 -15.4205 115.202 108.947 59.356 37.7344 -62.227 50.593 PRESSAVG: 114200 32.1212 -1.9223 -1.25341 -1.92225 -79.0776 -5.00186 -1.25342 -5.00178 12.8613 GPRESSAVG: 114200 33.4503 -3.87739 -1.74515 -2.79918 -79.4089 -7.45935 -2.4324 -3.21643 11.7295 TIMING: 114200 CPU: 363.191, 0.00319622/step Wall: 363.191, 0.00319622/step, 4.3378 hours remaining, 230.746094 MB of memory in use. ENERGY: 114200 4059.8951 20607.3398 14479.4945 245.7843 -203668.2739 2761.9384 0.0000 0.0000 52032.6640 -109481.1577 299.0324 -161513.8217 -109122.6885 299.6433 185.5589 215.8358 760140.6030 -11.3650 -11.4097 PRESSURE: 114400 -71.4541 16.0575 -236.963 16.0584 256.052 43.9701 -236.964 43.9705 91.6009 GPRESSURE: 114400 29.3 -38.6257 -208.624 0.68788 292.124 90.2816 -248.135 91.9913 34.7604 PRESSAVG: 114400 -36.9136 13.3195 37.0212 13.3194 -6.76021 -44.29 37.0213 -44.2901 4.43644 GPRESSAVG: 114400 -37.6545 14.8718 38.9981 13.5543 -4.87724 -43.2358 37.323 -44.1897 2.97557 TIMING: 114400 CPU: 363.825, 0.00316678/step Wall: 363.825, 0.00316678/step, 4.29767 hours remaining, 230.746094 MB of memory in use. ENERGY: 114400 3957.3647 20494.5996 14497.7340 250.7843 -203298.9795 2478.1225 0.0000 0.0000 52232.2450 -109388.1293 300.1794 -161620.3743 -109024.4488 299.9133 92.0662 118.7283 759764.6234 -13.0791 -13.1854 PRESSURE: 114600 -244.89 27.8748 50.7488 27.874 -57.0634 -252.516 50.7494 -252.516 -163.856 GPRESSURE: 114600 -312.833 106.459 -47.6436 -47.7898 -24.0675 -145.69 114.938 -323.967 -34.8012 PRESSAVG: 114600 -34.4612 -0.721475 12.8336 -0.72152 -2.70392 -6.87075 12.8336 -6.87076 -7.86729 GPRESSAVG: 114600 -34.8521 -2.92158 10.8745 0.180913 -3.52204 -8.8863 12.5533 -6.97214 -6.77169 TIMING: 114600 CPU: 364.463, 0.0031915/step Wall: 364.463, 0.0031915/step, 4.33104 hours remaining, 230.746094 MB of memory in use. ENERGY: 114600 3983.5057 20555.5460 14449.2542 239.2206 -203224.1180 2241.1532 0.0000 0.0000 52402.8349 -109352.6034 301.1598 -161755.4383 -108979.4037 299.4889 -155.2696 -123.9005 759779.5753 -15.0108 -15.0486 PRESSURE: 114800 -39.8557 -145.438 18.7589 -145.438 -75.169 -23.3026 18.7588 -23.3032 -212.735 GPRESSURE: 114800 80.6423 -99.015 45.9257 -130.842 -121.111 -39.3584 26.3297 -19.6126 -188.555 PRESSAVG: 114800 8.00606 3.63566 0.764027 3.63566 21.6702 -18.5589 0.764008 -18.559 -15.765 GPRESSAVG: 114800 8.34276 4.2657 2.60756 5.12456 21.0973 -16.0964 0.685599 -19.329 -15.7024 TIMING: 114800 CPU: 365.102, 0.0031925/step Wall: 365.102, 0.0031925/step, 4.33222 hours remaining, 230.746094 MB of memory in use. ENERGY: 114800 3992.9385 20520.4815 14479.6273 244.3198 -203512.0276 2568.8860 0.0000 0.0000 52394.8494 -109310.9251 301.1139 -161705.7745 -108948.7203 300.1115 -109.2531 -76.3411 759276.2176 4.6371 4.5792 PRESSURE: 115000 -234.28 -21.1233 5.35585 -21.1227 11.1855 292.709 5.3556 292.711 195.294 GPRESSURE: 115000 -125.795 13.9661 89.049 80.6522 24.5544 231.298 -82.963 100.737 177.803 PRESSAVG: 115000 -8.81042 -87.2013 -7.51144 -87.2013 20.5104 16.1897 -7.51145 16.1897 17.9427 GPRESSAVG: 115000 -9.60507 -87.1338 -9.69674 -89.4395 20.5607 16.2061 -7.28606 16.7223 18.4134 TIMING: 115000 CPU: 365.74, 0.00319175/step Wall: 365.74, 0.00319175/step, 4.33103 hours remaining, 230.746094 MB of memory in use. ENERGY: 115000 3944.7834 20516.8602 14509.3881 243.4437 -203552.8993 2599.2867 0.0000 0.0000 52117.0095 -109622.1276 299.5172 -161739.1371 -109258.0949 299.8845 -9.2668 25.5207 758615.9905 9.8809 9.7897 PRESSURE: 115200 204.149 -378.115 102.236 -378.116 -263.459 22.9124 102.236 22.9112 95.6558 GPRESSURE: 115200 293.404 -367.114 80.0516 -328.385 -255.717 -49.5276 84.9914 16.8943 60.7636 PRESSAVG: 115200 12.3404 -72.7829 30.0878 -72.7829 7.53455 -28.1462 30.0878 -28.1462 10.2417 GPRESSAVG: 115200 12.8621 -71.2627 30.4359 -70.2633 7.78466 -27.8833 31.2848 -28.7695 9.1541 TIMING: 115200 CPU: 366.373, 0.0031649/step Wall: 366.373, 0.0031649/step, 4.29442 hours remaining, 230.746094 MB of memory in use. ENERGY: 115200 3979.4267 20388.5120 14568.3839 230.2904 -203377.5959 2372.3597 0.0000 0.0000 52242.4824 -109596.1408 300.2383 -161838.6232 -109233.9681 299.2903 12.1152 32.8170 759072.5203 10.0389 9.9336 PRESSURE: 115400 -75.9982 -128.82 -193.851 -128.82 44.0242 -100.896 -193.851 -100.896 -293.132 GPRESSURE: 115400 -15.5398 -125.224 -149.376 -101.396 57.1992 -104.047 -209.525 -88.7656 -290.368 PRESSAVG: 115400 -12.7714 -64.7824 4.11244 -64.7824 31.0667 13.3283 4.11244 13.3283 13.9061 GPRESSAVG: 115400 -11.4543 -67.2513 5.74272 -66.2421 29.0747 11.2573 2.62859 13.5847 14.5068 TIMING: 115400 CPU: 367.006, 0.00316443/step Wall: 367.006, 0.00316443/step, 4.29361 hours remaining, 230.746094 MB of memory in use. ENERGY: 115400 3980.5070 20583.6660 14555.0756 228.2802 -203244.2499 2292.7558 0.0000 0.0000 52045.1215 -109558.8438 299.1040 -161603.9653 -109197.5623 299.7203 -108.3687 -82.9030 759491.9064 10.7338 10.7090 PRESSURE: 115600 32.3401 -127.019 7.45166 -127.018 226.925 76.1292 7.45145 76.129 -97.8119 GPRESSURE: 115600 -16.1507 -110.441 86.4166 -144.5 284.613 87.7425 -33.6136 107.114 -31.9653 PRESSAVG: 115600 -41.1584 -29.2236 -3.06224 -29.2235 62.8881 47.1679 -3.06229 47.1679 -6.95925 GPRESSAVG: 115600 -43.5437 -28.6068 -3.79413 -27.8816 65.1487 47.8544 0.171157 46.6246 -6.67471 TIMING: 115600 CPU: 367.649, 0.00321649/step Wall: 367.649, 0.00321649/step, 4.36406 hours remaining, 230.746094 MB of memory in use. ENERGY: 115600 3958.4800 20518.3969 14480.3927 245.6410 -203449.8008 2514.9345 0.0000 0.0000 52015.5457 -109716.4101 298.9341 -161731.9558 -109357.6616 299.3441 53.8176 78.8323 759725.1344 4.9235 4.9768 PRESSURE: 115800 165.493 27.7752 -34.1082 27.775 249.4 133.873 -34.1085 133.874 -216.856 GPRESSURE: 115800 95.195 39.2473 -11.907 21.0395 373.135 61.1394 27.409 247.029 -191.869 PRESSAVG: 115800 -52.8169 -31.9607 -12.0596 -31.9607 42.5522 -7.76405 -12.0595 -7.76403 -3.28752 GPRESSAVG: 115800 -51.8891 -32.1775 -11.6191 -34.0766 42.6583 -6.43244 -14.8475 -7.79813 -4.23602 TIMING: 115800 CPU: 368.289, 0.00319806/step Wall: 368.289, 0.00319806/step, 4.33888 hours remaining, 230.746094 MB of memory in use. ENERGY: 115800 3950.3350 20621.7010 14510.2697 227.1138 -203430.8251 2502.3521 0.0000 0.0000 51991.5685 -109627.4849 298.7963 -161619.0534 -109267.5385 299.3851 66.0121 92.1538 761386.7132 -4.5174 -4.4890 PRESSURE: 116000 89.2348 -27.1988 288.968 -27.1984 141.837 -36.4469 288.968 -36.4466 328.566 GPRESSURE: 116000 100.636 -64.0085 251.757 29.2694 120.08 -79.2165 258.99 -210.474 416.318 PRESSAVG: 116000 -6.32811 -20.4937 -2.58797 -20.4937 41.6603 72.6138 -2.58804 72.6137 -9.01317 GPRESSAVG: 116000 -7.66148 -19.336 -3.83376 -22.0179 41.6845 71.6931 -0.324378 72.7615 -7.69235 TIMING: 116000 CPU: 368.923, 0.00317317/step Wall: 368.923, 0.00317317/step, 4.30493 hours remaining, 230.746094 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: 116000 4042.6490 20564.3168 14416.5849 237.9605 -203515.1475 2466.3370 0.0000 0.0000 52480.0439 -109307.2554 301.6035 -161787.2993 -108930.5992 299.9756 186.5460 212.3446 759571.6910 8.7730 8.7769 PRESSURE: 116200 135.771 42.1779 -48.1331 42.1777 -164.172 159.958 -48.1338 159.957 197.369 GPRESSURE: 116200 211.267 -39.3481 -71.7831 33.714 -49.8763 80.3898 -64.4382 167.144 110.187 PRESSAVG: 116200 -7.42784 -40.6445 -2.66172 -40.6445 -52.1049 62.1872 -2.66176 62.1871 26.8493 GPRESSAVG: 116200 -6.19739 -41.9024 -2.12149 -37.3553 -53.4018 61.9681 -4.11407 62.9779 26.8275 TIMING: 116200 CPU: 369.559, 0.00317999/step Wall: 369.559, 0.00317999/step, 4.31401 hours remaining, 230.746094 MB of memory in use. ENERGY: 116200 3914.0994 20595.3538 14434.3955 239.1037 -203132.6374 2355.1771 0.0000 0.0000 52194.4046 -109400.1033 299.9620 -161594.5079 -109030.0660 299.9183 56.3226 90.5259 761737.3777 -10.8945 -10.9239 LDB: ============= START OF LOAD BALANCING ============== 381.982 LDB: ============== END OF LOAD BALANCING =============== 381.983 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 381.984 LDB: ============= START OF LOAD BALANCING ============== 382.299 LDB: Largest compute 7069 load 0.035895 is 18.4% of average load 0.194619 LDB: Average compute 0.004395 is 2.3% of average load 0.194619 LDB: TIME 382.302 LOAD: AVG 0.194619 MAX 0.20949 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.734 MB LDB: TIME 382.303 LOAD: AVG 0.194619 MAX 0.20949 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: TIME 382.303 LOAD: AVG 0.194619 MAX 0.20949 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: ============== END OF LOAD BALANCING =============== 382.305 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 382.31 PRESSURE: 116400 -299.862 20.1194 -69.6634 20.1193 71.4653 -95.0957 -69.6632 -95.0961 7.98807 GPRESSURE: 116400 -215.828 111.648 -3.13398 -110.362 -25.3289 -128.66 38.9275 -118.701 69.6555 PRESSAVG: 116400 -13.157 -18.8284 -79.0185 -18.8283 8.62124 -10.6404 -79.0184 -10.6404 16.7722 GPRESSAVG: 116400 -12.9176 -19.3039 -77.9383 -19.0635 10.38 -9.92442 -79.2305 -10.2104 14.7764 TIMING: 116400 CPU: 370.204, 0.00322125/step Wall: 370.204, 0.00322125/step, 4.3698 hours remaining, 228.695312 MB of memory in use. ENERGY: 116400 3937.9087 20795.1994 14433.9918 247.8744 -203109.5337 2343.3058 0.0000 0.0000 52058.4467 -109292.8067 299.1806 -161351.2535 -108919.1488 300.0752 -73.4695 -57.1671 760448.2753 4.0788 4.0796 PRESSURE: 116600 100.037 -6.48902 -107.657 -6.48851 -36.3446 101.464 -107.658 101.465 89.5365 GPRESSURE: 116600 161.239 49.4084 -155.22 113.49 26.5503 123.058 -141.16 105.876 67.1238 PRESSAVG: 116600 -11.8008 -42.8042 7.21822 -42.8042 14.355 -18.0451 7.2182 -18.0451 4.6955 GPRESSAVG: 116600 -11.3468 -43.4336 7.64814 -42.4418 13.5333 -18.7032 7.08071 -20.7732 4.96589 TIMING: 116600 CPU: 370.843, 0.00319621/step Wall: 370.843, 0.00319621/step, 4.33566 hours remaining, 228.695312 MB of memory in use. ENERGY: 116600 4106.5652 20601.7373 14482.9526 257.2424 -203103.9466 2328.4259 0.0000 0.0000 52148.1486 -109178.8747 299.6961 -161327.0232 -108820.4764 300.5358 51.0763 84.9710 759975.0964 2.4166 2.3842 PRESSURE: 116800 -60.6464 -279.509 126.925 -279.508 -33.7303 -7.849 126.925 -7.84963 -278.94 GPRESSURE: 116800 -63.4322 -118.459 184.201 -106.489 -3.2195 57.1926 48.4751 -72.0941 -208.462 PRESSAVG: 116800 22.6752 -1.85167 -16.3029 -1.85167 68.0491 14.6387 -16.3029 14.6387 2.94502 GPRESSAVG: 116800 21.8519 -0.415605 -18.5972 -1.7494 68.6623 14.5653 -16.5119 19.5448 2.93637 TIMING: 116800 CPU: 371.476, 0.00316745/step Wall: 371.476, 0.00316745/step, 4.29647 hours remaining, 228.695312 MB of memory in use. ENERGY: 116800 4025.2496 20653.3305 14476.5358 268.3190 -202953.9553 2368.6029 0.0000 0.0000 52060.8214 -109101.0960 299.1943 -161161.9174 -108750.5143 300.7257 -124.4390 -91.7046 761955.9982 31.2231 31.1502 PRESSURE: 117000 -605.364 -93.6859 205.026 -93.6853 -123.226 -128.081 205.025 -128.081 -130.127 GPRESSURE: 117000 -635.544 12.2239 210.19 -146.267 -96.7755 -141.189 86.4758 -80.8328 -61.0392 PRESSAVG: 117000 5.02353 -54.1296 0.646785 -54.1296 -38.8718 -25.6752 0.64682 -25.6751 27.1714 GPRESSAVG: 117000 5.07416 -50.2045 0.0582308 -56.344 -38.8784 -24.641 0.787619 -27.987 26.7074 TIMING: 117000 CPU: 372.114, 0.00318696/step Wall: 372.114, 0.00318696/step, 4.32276 hours remaining, 228.695312 MB of memory in use. ENERGY: 117000 4024.3409 20697.0790 14404.4049 254.0951 -203252.0757 2402.6223 0.0000 0.0000 52195.4428 -109274.0906 299.9679 -161469.5334 -108904.7167 300.0347 -286.2388 -264.4530 761442.6779 -2.2256 -2.3656 PRESSURE: 117200 321.68 15.4929 104.646 15.4922 267.663 139.172 104.645 139.172 -21.7058 GPRESSURE: 117200 380.818 9.93196 173.35 19.2741 301.718 69.5717 162.511 25.4369 -8.79589 PRESSAVG: 117200 -19.701 -45.6094 -0.301033 -45.6093 32.0188 -3.18952 -0.301053 -3.18952 0.743549 GPRESSAVG: 117200 -19.4972 -49.2221 1.28042 -45.06 31.4172 -2.73955 -1.36469 -3.65756 1.17643 TIMING: 117200 CPU: 372.748, 0.00316954/step Wall: 372.748, 0.00316954/step, 4.29895 hours remaining, 228.695312 MB of memory in use. ENERGY: 117200 4001.6374 20530.3424 14487.7852 258.0854 -203763.9085 2669.1735 0.0000 0.0000 52390.9350 -109425.9496 301.0914 -161816.8846 -109063.3179 300.0138 189.2126 224.5798 759233.6989 4.3538 4.3655 PRESSURE: 117400 -66.635 91.265 -6.43025 91.2653 291.131 -19.0924 -6.4301 -19.0918 -430.16 GPRESSURE: 117400 -59.2614 124.971 -63.344 128.612 330.652 36.3639 2.15539 -68.0843 -389.442 PRESSAVG: 117400 -9.49307 -59.5194 53.5123 -59.5194 43.1789 36.4936 53.5124 36.4937 -3.38568 GPRESSAVG: 117400 -10.0639 -58.6587 52.2102 -58.4582 44.4426 34.2542 55.6075 38.1478 -3.71412 TIMING: 117400 CPU: 373.385, 0.00318428/step Wall: 373.385, 0.00318428/step, 4.31877 hours remaining, 228.695312 MB of memory in use. ENERGY: 117400 4091.9862 20568.5463 14477.6860 238.4418 -203546.8530 2681.6951 0.0000 0.0000 52309.9978 -109178.4998 300.6263 -161488.4977 -108804.5442 299.9651 -68.5549 -39.3504 760709.1986 10.1001 10.2215 PRESSURE: 117600 -4.44507 20.6503 123.301 20.6511 137.915 -107.725 123.302 -107.724 189.738 GPRESSURE: 117600 -15.3115 47.4299 132.101 -36.464 173.813 -77.5765 165.082 -138.892 240.299 PRESSAVG: 117600 -16.573 -4.25745 -4.4987 -4.25745 -16.9413 39.708 -4.4987 39.708 -0.35673 GPRESSAVG: 117600 -15.3038 -3.93281 -4.38801 -6.17159 -18.6822 40.2734 -3.74755 40.0533 -0.235591 TIMING: 117600 CPU: 374.019, 0.00317482/step Wall: 374.019, 0.00317482/step, 4.30576 hours remaining, 228.695312 MB of memory in use. ENERGY: 117600 4051.9131 20776.1396 14431.3889 255.0751 -203690.9687 2528.9259 0.0000 0.0000 52835.0360 -108812.4900 303.6437 -161647.5261 -108438.3187 301.2249 107.7362 132.9336 760042.5568 -11.2903 -11.4072 PRESSURE: 117800 276.029 -166.695 103.228 -166.695 -120.502 -37.8242 103.229 -37.8248 2.77435 GPRESSURE: 117800 171.236 -236.503 57.9986 -176.237 17.0893 -34.8528 -24.7199 -32.8762 70.589 PRESSAVG: 117800 -6.12286 -47.3698 -54.4164 -47.3697 4.12203 -28.7967 -54.4164 -28.7968 -5.02597 GPRESSAVG: 117800 -7.16553 -49.66 -53.247 -46.0854 4.83803 -27.6954 -57.7647 -30.4334 -4.98768 TIMING: 117800 CPU: 374.659, 0.00319744/step Wall: 374.659, 0.00319744/step, 4.33626 hours remaining, 228.695312 MB of memory in use. ENERGY: 117800 4078.3675 20787.8777 14504.5972 239.7665 -203506.2206 2565.0421 0.0000 0.0000 52398.1645 -108932.4051 301.1330 -161330.5696 -108577.6493 301.2093 52.7670 86.3049 761235.3383 -2.3423 -2.4384 PRESSURE: 118000 -570.88 91.7078 42.9979 91.7072 128.762 -102.37 42.9977 -102.37 -138.915 GPRESSURE: 118000 -496.304 217.462 -18.7313 29.8446 116.562 -124.75 -59.6271 -51.1111 -101.059 PRESSAVG: 118000 -64.2362 -75.5612 11.3706 -75.5613 78.2887 -34.6491 11.3706 -34.6492 2.21122 GPRESSAVG: 118000 -65.3864 -74.3425 11.5275 -74.4482 77.8954 -34.9196 12.9601 -33.6619 3.17407 TIMING: 118000 CPU: 375.296, 0.00318324/step Wall: 375.296, 0.00318324/step, 4.31683 hours remaining, 228.695312 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: 118000 4006.5929 20715.8152 14514.5426 242.3216 -203279.9175 2528.4523 0.0000 0.0000 52358.6061 -108913.5868 300.9056 -161272.1929 -108538.1815 301.1450 -193.6777 -160.2669 759224.4317 5.4212 5.2277 PRESSURE: 118200 -417.822 -281.041 6.93527 -281.041 -114.047 29.8485 6.93428 29.8483 -302.592 GPRESSURE: 118200 -348.88 -293.826 -61.9085 -380.836 -133.083 46.6345 130.446 -28.0222 -268.805 PRESSAVG: 118200 14.0195 -75.6208 -4.61982 -75.6209 -21.952 21.4462 -4.61988 21.4462 -2.06804 GPRESSAVG: 118200 16.3161 -74.7659 -5.46101 -75.8586 -22.9786 20.9196 -3.48589 21.8606 -3.4278 TIMING: 118200 CPU: 375.934, 0.00318967/step Wall: 375.934, 0.00318967/step, 4.32537 hours remaining, 228.695312 MB of memory in use. ENERGY: 118200 4041.5352 20705.7523 14489.7256 231.2482 -202890.4584 2278.9414 0.0000 0.0000 52287.1434 -108856.1123 300.4949 -161143.2557 -108488.1295 300.9029 -278.1538 -250.2558 761302.3327 -3.3335 -3.3634 PRESSURE: 118400 87.3423 -176.462 126.057 -176.461 417.057 -218.62 126.058 -218.62 61.7363 GPRESSURE: 118400 202.311 -77.2187 185.236 -173.845 414.653 -206.634 22.3989 -169.963 37.7482 PRESSAVG: 118400 -41.0466 -40.1427 14.8587 -40.1427 35.1435 -63.0424 14.8587 -63.0424 0.880119 GPRESSAVG: 118400 -42.8015 -42.702 14.4533 -40.1009 36.4579 -62.7291 15.9412 -64.3373 1.20404 TIMING: 118400 CPU: 376.569, 0.00317687/step Wall: 376.569, 0.00317687/step, 4.30783 hours remaining, 228.695312 MB of memory in use. ENERGY: 118400 3973.3622 20613.7451 14593.3503 229.8550 -203891.5603 3014.6433 0.0000 0.0000 52368.5163 -109098.0880 300.9626 -161466.6043 -108716.1398 300.8030 188.7120 218.2375 760777.4128 -1.6744 -1.7132 PRESSURE: 118600 580.798 -57.2416 33.5714 -57.2423 186.357 164.074 33.5705 164.075 4.79538 GPRESSURE: 118600 485.613 29.069 76.1401 -171.219 319.01 157.694 -16.6253 152.955 56.2783 PRESSAVG: 118600 -25.4815 -35.2859 -19.8886 -35.2859 -16.559 20.1556 -19.8886 20.1557 20.7535 GPRESSAVG: 118600 -24.1135 -31.7384 -19.4076 -36.67 -17.3331 19.0114 -22.8631 23.1485 19.9177 TIMING: 118600 CPU: 377.202, 0.0031634/step Wall: 377.202, 0.0031634/step, 4.28939 hours remaining, 228.695312 MB of memory in use. ENERGY: 118600 3937.0622 20599.4835 14609.2610 277.4147 -203376.0375 2421.1560 0.0000 0.0000 52497.4506 -109034.2093 301.7036 -161531.6600 -108663.7324 301.0198 257.3167 286.9670 759518.1563 -7.0957 -7.1763 PRESSURE: 118800 -108.409 -203.182 -54.4844 -203.182 -403.617 300.295 -54.4849 300.296 -169.714 GPRESSURE: 118800 -95.761 -243.151 -52.2813 -69.4213 -318.253 280.762 -105.496 233.48 -167.427 PRESSAVG: 118800 35.6518 -66.3065 -8.3965 -66.3065 -8.00471 8.25152 -8.3965 8.25154 -7.48581 GPRESSAVG: 118800 35.5974 -66.6131 -7.95529 -67.952 -8.58144 9.19883 -7.1752 6.53719 -7.21323 TIMING: 118800 CPU: 377.839, 0.00318873/step Wall: 377.839, 0.00318873/step, 4.32356 hours remaining, 228.695312 MB of memory in use. ENERGY: 118800 4074.4437 20497.8687 14520.4246 228.1236 -203094.7301 2319.6588 0.0000 0.0000 52433.3132 -109020.8975 301.3350 -161454.2107 -108658.0535 300.9313 -227.2469 -193.8136 761844.3942 6.7204 6.6009 PRESSURE: 119000 138.227 19.166 68.5642 19.1662 84.0541 -121.009 68.5648 -121.008 40.8315 GPRESSURE: 119000 265.128 7.04805 47.6502 114.507 76.7269 -183.363 -5.33274 -73.1882 10.9087 PRESSAVG: 119000 -15.1856 -42.192 -8.75438 -42.1921 -16.5583 2.45403 -8.75431 2.45399 -18.5255 GPRESSAVG: 119000 -16.0649 -44.0572 -8.44505 -38.9529 -16.6683 4.21724 -8.9718 1.37161 -17.049 TIMING: 119000 CPU: 378.491, 0.00325733/step Wall: 378.491, 0.00325733/step, 4.41639 hours remaining, 228.695312 MB of memory in use. ENERGY: 119000 4013.3090 20526.3064 14497.5422 252.9414 -203240.0846 2756.7288 0.0000 0.0000 52074.2834 -109118.9735 299.2716 -161193.2569 -108765.2528 300.2966 87.7042 117.5879 762097.0492 -16.7565 -16.5941 PRESSURE: 119200 -252.342 -183.88 -71.3814 -183.881 42.9393 35.5444 -71.3815 35.5449 -244.52 GPRESSURE: 119200 -229.636 -280.085 -75.8089 -127.871 110.172 -20.9813 -19.5995 32.8479 -260.513 PRESSAVG: 119200 -26.9754 -52.884 -4.15898 -52.8841 46.1518 20.0794 -4.15902 20.0793 34.2451 GPRESSAVG: 119200 -25.586 -53.1495 -5.01098 -54.9981 45.4533 18.97 -6.05913 19.7627 33.401 TIMING: 119200 CPU: 379.134, 0.00321352/step Wall: 379.134, 0.00321352/step, 4.35682 hours remaining, 228.695312 MB of memory in use. ENERGY: 119200 4123.7547 20511.9708 14556.3828 237.9376 -203544.1926 2733.0115 0.0000 0.0000 52332.1776 -109048.9575 300.7537 -161381.1351 -108685.0179 300.2502 -151.3075 -126.6589 761498.2098 17.8071 17.7561 PRESSURE: 119400 -520.882 -128.755 -195.074 -128.755 -358.142 -177.834 -195.073 -177.834 36.0907 GPRESSURE: 119400 -440.893 -205.158 -214.822 -68.2178 -307.423 -137.157 -158.024 -172.5 11.6667 PRESSAVG: 119400 8.16333 -63.1246 34.8929 -63.1246 -4.69226 30.696 34.893 30.696 9.67507 GPRESSAVG: 119400 7.89623 -61.2077 35.1811 -63.1383 -4.25727 31.0642 37.3161 30.1915 9.71617 TIMING: 119400 CPU: 379.782, 0.003244/step Wall: 379.782, 0.003244/step, 4.39797 hours remaining, 228.695312 MB of memory in use. ENERGY: 119400 4068.1337 20604.2084 14490.2607 259.2150 -203269.1536 2400.9492 0.0000 0.0000 52355.0782 -109091.3084 300.8854 -161446.3866 -108732.6604 300.4211 -280.9776 -245.5496 761516.0218 4.3820 4.4517 PRESSURE: 119600 -467.02 -7.28648 -11.4217 -7.28662 -197.219 162.668 -11.4209 162.668 -239.798 GPRESSURE: 119600 -447.801 41.105 23.001 -57.545 -173.442 112.182 88.7335 197.825 -200.472 PRESSAVG: 119600 -1.73858 -18.54 -18.5492 -18.54 -9.06939 4.70022 -18.5492 4.70027 -30.2715 GPRESSAVG: 119600 -1.98717 -17.9316 -18.0758 -18.3526 -8.25181 4.37751 -19.2635 6.21731 -30.6752 TIMING: 119600 CPU: 380.435, 0.00326181/step Wall: 380.435, 0.00326181/step, 4.42192 hours remaining, 228.695312 MB of memory in use. ENERGY: 119600 4094.8575 20592.6243 14520.3369 250.4782 -202815.2983 2297.9179 0.0000 0.0000 52082.8979 -108976.1856 299.3211 -161059.0835 -108613.1949 300.5420 -301.3459 -273.9048 761635.3425 -13.6932 -13.6381 PRESSURE: 119800 -137.21 145.746 58.5588 145.746 283.011 130.036 58.5588 130.036 363.601 GPRESSURE: 119800 -98.3614 97.1972 -10.9633 168.009 277.684 142.396 63.8153 53.9782 403.368 PRESSAVG: 119800 46.4123 -25.8924 -0.914748 -25.8925 -22.3439 30.7203 -0.914782 30.7203 9.37798 GPRESSAVG: 119800 45.9391 -28.7853 -0.66253 -25.5206 -22.1493 30.6259 -0.855299 33.0305 8.80405 TIMING: 119800 CPU: 381.081, 0.00323292/step Wall: 381.081, 0.00323292/step, 4.38258 hours remaining, 228.695312 MB of memory in use. ENERGY: 119800 4017.3070 20607.3493 14495.2706 254.8199 -203223.0546 2553.7679 0.0000 0.0000 52212.0694 -109082.4705 300.0635 -161294.5398 -108727.2945 300.5402 169.8005 194.2304 760795.2295 11.1488 10.8646 PRESSURE: 120000 -394.726 -83.1643 2.49246 -83.164 211.381 29.7124 2.49214 29.7133 2.11642 GPRESSURE: 120000 -286.82 -45.1754 66.7775 -135.187 84.6573 88.2947 44.4224 -10.5983 113.855 PRESSAVG: 120000 -36.3542 1.0529 5.10831 1.05286 5.90371 12.5976 5.10835 12.5975 21.2059 GPRESSAVG: 120000 -35.8684 4.02741 4.90189 -0.415363 5.81503 12.6471 5.77681 10.1165 21.0878 TIMING: 120000 CPU: 381.719, 0.00319021/step Wall: 381.719, 0.00319021/step, 4.32451 hours remaining, 228.695312 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: 120000 3993.9057 20493.9838 14535.2806 231.7859 -203485.7532 2502.8826 0.0000 0.0000 52368.1052 -109359.8094 300.9602 -161727.9147 -109000.0564 300.1603 -60.4096 -29.4358 760597.4012 -3.0815 -2.9885 PRESSURE: 120200 331.982 -94.5077 -220.153 -94.5064 -194.454 -30.0974 -220.152 -30.0963 -251.661 GPRESSURE: 120200 258.03 0.817421 -169.377 -163.38 -84.9757 -49.5929 -167.308 -160.715 -199.467 PRESSAVG: 120200 2.73746 6.59966 -85.7953 6.59962 -53.0571 -23.961 -85.7953 -23.961 -4.7359 GPRESSAVG: 120200 1.99353 6.49086 -85.5115 7.69938 -53.1505 -23.6736 -86.8478 -25.103 -3.61437 TIMING: 120200 CPU: 382.364, 0.00322494/step Wall: 382.364, 0.00322494/step, 4.3714 hours remaining, 228.695312 MB of memory in use. ENERGY: 120200 4017.8931 20815.8231 14439.8877 233.2496 -203414.9062 2521.4254 0.0000 0.0000 51928.8745 -109457.7528 298.4360 -161386.6273 -109107.2670 299.6293 -38.0443 -8.8042 763171.4455 -18.3518 -18.2571 LDB: ============= START OF LOAD BALANCING ============== 394.798 LDB: ============== END OF LOAD BALANCING =============== 394.798 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 394.8 LDB: ============= START OF LOAD BALANCING ============== 395.124 LDB: Largest compute 7033 load 0.034651 is 17.8% of average load 0.194747 LDB: Average compute 0.004398 is 2.3% of average load 0.194747 LDB: TIME 395.128 LOAD: AVG 0.194747 MAX 0.212334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.488 MB LDB: TIME 395.128 LOAD: AVG 0.194747 MAX 0.212334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.691 MB LDB: TIME 395.128 LOAD: AVG 0.194747 MAX 0.212334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.691 MB LDB: ============== END OF LOAD BALANCING =============== 395.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 395.135 PRESSURE: 120400 -412.344 -78.5284 -182.657 -78.5272 -173.082 60.2617 -182.657 60.2615 244.139 GPRESSURE: 120400 -334.831 -77.5464 -162.755 -142.67 -151.899 -40.6476 -190.344 71.0094 233.672 PRESSAVG: 120400 18.9441 -28.9435 -53.099 -28.9435 -47.459 21.4825 -53.099 21.4824 6.66161 GPRESSAVG: 120400 18.966 -28.9304 -53.1273 -29.7604 -47.1613 19.5644 -53.7216 23.3076 5.85672 TIMING: 120400 CPU: 383.029, 0.00332293/step Wall: 383.029, 0.00332293/step, 4.50405 hours remaining, 227.980469 MB of memory in use. ENERGY: 120400 3914.9655 20624.9051 14519.0109 242.7793 -203567.0517 2390.6534 0.0000 0.0000 52456.0440 -109418.6936 301.4656 -161874.7376 -109049.1103 300.0256 -113.7625 -84.3526 760529.9810 -7.2844 -7.4462 PRESSURE: 120600 57.9697 5.0251 -178.631 5.02517 218.711 47.0451 -178.631 47.0446 95.5828 GPRESSURE: 120600 243.762 74.417 -139.226 57.5752 205.249 -9.77149 -164.226 81.512 16.4272 PRESSAVG: 120600 -48.4685 -70.0353 7.98123 -70.0354 -16.5294 0.362153 7.98124 0.362182 -3.46576 GPRESSAVG: 120600 -47.0817 -69.715 6.58232 -69.5691 -17.2217 1.51862 9.84261 0.846243 -3.97519 TIMING: 120600 CPU: 383.663, 0.00317044/step Wall: 383.663, 0.00317044/step, 4.29718 hours remaining, 227.980469 MB of memory in use. ENERGY: 120600 4036.1542 20483.9483 14476.3701 228.3098 -203245.9744 2370.8867 0.0000 0.0000 52296.1923 -109354.1131 300.5469 -161650.3054 -108985.9223 299.8920 124.0878 155.1460 759655.6071 -22.8212 -22.7595 PRESSURE: 120800 -159.686 -106.073 -52.9471 -106.073 437.062 213.771 -52.947 213.772 -115.052 GPRESSURE: 120800 -8.72132 -113.825 -77.0497 -69.813 388.939 246.863 -48.7863 173.789 -137.129 PRESSAVG: 120800 -52.93 -54.8541 -12.7298 -54.8542 57.7097 20.8095 -12.7299 20.8094 16.425 GPRESSAVG: 120800 -53.9864 -56.7823 -11.0229 -52.5223 57.3067 21.1788 -12.4167 19.458 17.7895 TIMING: 120800 CPU: 384.299, 0.00318008/step Wall: 384.299, 0.00318008/step, 4.31007 hours remaining, 227.980469 MB of memory in use. ENERGY: 120800 4027.8411 20603.5602 14503.9988 246.2838 -203285.9966 2381.9717 0.0000 0.0000 52134.0462 -109388.2948 299.6151 -161522.3409 -109016.0077 300.1899 54.1083 81.0297 760073.8293 7.0682 7.0366 PRESSURE: 121000 -283.241 155.439 116.466 155.44 133.805 -147.975 116.466 -147.976 -267.63 GPRESSURE: 121000 -167.263 115.357 120.391 194.854 119.651 -231.873 108.297 -73.2338 -285.328 PRESSAVG: 121000 -61.7445 -69.9321 42.6525 -69.932 89.6669 29.1825 42.6525 29.1825 0.697229 GPRESSAVG: 121000 -62.4493 -66.3274 42.0767 -72.1676 90.4388 28.2064 41.7938 30.503 0.320771 TIMING: 121000 CPU: 384.935, 0.00318253/step Wall: 384.935, 0.00318253/step, 4.31321 hours remaining, 227.980469 MB of memory in use. ENERGY: 121000 4044.7951 20525.8629 14509.7269 257.4144 -203349.6712 2482.9789 0.0000 0.0000 52169.8672 -109359.0258 299.8209 -161528.8930 -108990.8435 300.0443 -139.0218 -110.9800 760598.1198 9.5399 9.4368 PRESSURE: 121200 1.96501 -59.1166 23.8855 -59.1168 -109.107 166.531 23.8855 166.53 -261.925 GPRESSURE: 121200 37.8328 -110.711 39.1598 -113.12 -46.5184 60.104 -67.8259 127.179 -265.044 PRESSAVG: 121200 -94.5062 -69.8366 4.14161 -69.8366 76.177 23.3547 4.1416 23.3547 2.91491 GPRESSAVG: 121200 -94.9376 -74.4528 4.51011 -67.627 76.8081 22.4641 0.849831 24.9955 2.74751 TIMING: 121200 CPU: 385.578, 0.00321314/step Wall: 385.578, 0.00321314/step, 4.35452 hours remaining, 227.980469 MB of memory in use. ENERGY: 121200 4090.1287 20684.5110 14501.0350 250.8848 -203541.7909 2554.1817 0.0000 0.0000 52070.7046 -109390.3451 299.2511 -161461.0497 -109028.7436 300.0845 -123.0223 -91.2432 759309.0236 -5.1381 -5.1273 PRESSURE: 121400 -66.498 -80.473 -108.833 -80.4726 -114.413 188.699 -108.833 188.699 -217.113 GPRESSURE: 121400 -125.962 -100.045 -98.581 -49.5931 -106.304 183.851 -70.1215 192.799 -99.4033 PRESSAVG: 121400 -75.9389 -42.1087 -29.004 -42.1087 40.3803 36.3272 -29.004 36.3272 -6.49199 GPRESSAVG: 121400 -75.7214 -41.5527 -31.4745 -43.5877 40.078 36.9929 -25.652 34.9009 -6.73804 TIMING: 121400 CPU: 386.213, 0.00317213/step Wall: 386.213, 0.00317214/step, 4.29877 hours remaining, 227.980469 MB of memory in use. ENERGY: 121400 4041.8273 20590.9543 14578.6077 250.1622 -203471.8190 2325.8394 0.0000 0.0000 52257.6427 -109426.7853 300.3254 -161684.4280 -109048.5398 299.5781 -132.6746 -110.5565 761102.5190 -14.0168 -14.1272 PRESSURE: 121600 130.544 -133.058 135.863 -133.057 -15.6905 -124.865 135.862 -124.864 -387.89 GPRESSURE: 121600 145.111 -134.011 121.991 -186.872 33.4775 -78.3231 230.506 -124.185 -386.52 PRESSAVG: 121600 -39.6363 42.0977 63.317 42.0977 31.704 61.6986 63.3171 61.6986 19.2064 GPRESSAVG: 121600 -39.5917 44.1232 65.2803 43.4013 31.3563 62.0883 62.9144 60.579 19.531 TIMING: 121600 CPU: 386.851, 0.00319102/step Wall: 386.851, 0.00319102/step, 4.32419 hours remaining, 227.980469 MB of memory in use. ENERGY: 121600 4021.1720 20647.8475 14429.5047 237.2770 -203472.4224 2353.9204 0.0000 0.0000 52403.4846 -109379.2161 301.1635 -161782.7007 -109015.2105 300.1410 -91.0122 -69.3103 758690.4707 3.7581 3.7652 PRESSURE: 121800 345.848 107.6 191.977 107.6 -166.242 -209.446 191.977 -209.446 184.088 GPRESSURE: 121800 340.127 100.085 154.28 1.95387 -47.6017 -261.122 142.756 -229.035 148.819 PRESSAVG: 121800 -2.74146 -23.3367 100.968 -23.3368 -10.0665 44.0407 100.968 44.0407 -9.83259 GPRESSAVG: 121800 -1.99803 -24.3151 100.19 -24.0996 -9.50924 43.137 101.226 44.8451 -11.0904 TIMING: 121800 CPU: 387.503, 0.00326207/step Wall: 387.503, 0.00326207/step, 4.42029 hours remaining, 227.980469 MB of memory in use. ENERGY: 121800 4004.9948 20678.4281 14503.8698 239.5065 -203598.0449 2565.7763 0.0000 0.0000 52229.5155 -109375.9538 300.1637 -161605.4693 -109021.3374 300.1363 121.2312 147.1146 759044.3802 -7.5468 -7.5326 PRESSURE: 122000 -165.423 -24.9308 -180.172 -24.9305 375.643 99.1767 -180.172 99.1762 35.1312 GPRESSURE: 122000 -105.091 -44.5038 -120.078 14.0209 301.053 9.97555 -97.7941 34.9082 148.868 PRESSAVG: 122000 -29.1517 -14.9512 37.7088 -14.9512 22.6902 -16.2506 37.7088 -16.2507 -27.2891 GPRESSAVG: 122000 -28.0203 -16.0452 38.5586 -14.5855 20.8974 -15.0059 36.4852 -17.1278 -26.8168 TIMING: 122000 CPU: 388.136, 0.00316314/step Wall: 388.136, 0.00316314/step, 4.28605 hours remaining, 227.980469 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: 122000 4013.9658 20560.4543 14570.0001 259.3766 -203454.8340 2529.7631 0.0000 0.0000 52064.5103 -109456.7637 299.2155 -161521.2740 -109090.1153 300.0070 81.7836 114.9432 759972.4666 -11.2502 -11.3132 PRESSURE: 122200 31.0879 -105.555 -2.69249 -105.554 62.4659 88.9139 -2.69269 88.9135 -8.80381 GPRESSURE: 122200 88.5042 -13.2199 32.7854 -41.2345 42.7818 83.5802 -135.499 61.6409 56.6967 PRESSAVG: 122200 -26.3178 -37.5235 21.5192 -37.5235 18.4912 -8.15422 21.5192 -8.15426 -16.2142 GPRESSAVG: 122200 -27.0253 -36.7411 21.28 -36.5002 19.725 -7.95706 21.3306 -8.15189 -16.1656 TIMING: 122200 CPU: 388.776, 0.00320081/step Wall: 388.776, 0.00320081/step, 4.33692 hours remaining, 227.980469 MB of memory in use. ENERGY: 122200 4003.8796 20543.8929 14529.5897 234.4699 -203221.9520 2552.0987 0.0000 0.0000 51846.9164 -109511.1049 297.9649 -161358.0213 -109147.8202 299.7166 28.2500 62.6609 760253.8793 -8.0136 -7.8220 PRESSURE: 122400 -783.724 4.95017 19.0019 4.95039 -28.5983 62.35 19.0016 62.3501 -31.4345 GPRESSURE: 122400 -814.681 25.2126 50.9554 46.3216 29.5068 69.4712 217.583 68.0469 27.6951 PRESSAVG: 122400 -73.9925 -17.0211 26.2844 -17.0212 42.4124 30.1206 26.2844 30.1207 -6.53284 GPRESSAVG: 122400 -73.8579 -14.3872 26.2859 -20.3362 41.8513 29.2011 27.4761 30.5427 -6.06002 TIMING: 122400 CPU: 389.411, 0.00317512/step Wall: 389.411, 0.00317512/step, 4.30194 hours remaining, 227.980469 MB of memory in use. ENERGY: 122400 3994.9868 20612.3074 14560.8985 256.1886 -202951.8641 1950.0414 0.0000 0.0000 52210.3605 -109367.0810 300.0537 -161577.4415 -109002.5121 300.0999 -281.2523 -252.4930 761232.3152 -12.7043 -12.6889 PRESSURE: 122600 115.596 27.3855 -101.618 27.3863 -256.363 87.3141 -101.618 87.3148 158.183 GPRESSURE: 122600 91.1422 55.0158 -87.2663 -48.1606 -186.792 110.447 -87.69 62.4254 193.159 PRESSAVG: 122600 -15.1965 -19.0527 83.2037 -19.0527 -13.6337 20.2853 83.2037 20.2853 7.25781 GPRESSAVG: 122600 -14.9554 -22.6256 83.9905 -17.6466 -13.4772 22.9202 83.1953 20.5277 6.18696 TIMING: 122600 CPU: 390.046, 0.00317703/step Wall: 390.046, 0.00317703/step, 4.30435 hours remaining, 227.980469 MB of memory in use. ENERGY: 122600 3956.8063 20689.6505 14459.0071 253.7696 -203302.2866 2392.4733 0.0000 0.0000 51984.4751 -109566.1048 298.7555 -161550.5799 -109212.0922 299.5854 5.8055 32.5031 761108.7877 -7.1908 -7.4152 PRESSURE: 122800 -39.0271 39.7135 172.141 39.7133 12.141 -21.3144 172.142 -21.3137 306.068 GPRESSURE: 122800 69.1622 54.9893 158.593 65.9642 -12.2023 -36.8217 85.1609 47.5569 321.565 PRESSAVG: 122800 -32.1988 -28.0178 79.711 -28.0178 25.0072 6.58429 79.711 6.58422 6.85324 GPRESSAVG: 122800 -31.7633 -25.8079 79.9409 -28.4063 23.9972 2.35597 79.2014 4.92553 7.63839 TIMING: 122800 CPU: 390.68, 0.00316891/step Wall: 390.68, 0.00316891/step, 4.29317 hours remaining, 227.980469 MB of memory in use. ENERGY: 122800 3988.3979 20568.7697 14482.6083 269.3712 -203741.8993 2655.1836 0.0000 0.0000 52282.4166 -109495.1521 300.4678 -161777.5686 -109132.1778 299.3554 93.0606 126.1749 759843.0505 -0.1128 -0.0426 PRESSURE: 123000 216.693 99.4137 -20.5099 99.4142 78.6267 4.36118 -20.5096 4.36118 1.85903 GPRESSURE: 123000 171.523 111.204 43.0936 33.4114 162.578 -10.3393 69.589 101.393 37.1846 PRESSAVG: 123000 27.1426 -36.3768 39.3202 -36.3769 -16.6602 45.7989 39.3202 45.7988 11.4798 GPRESSAVG: 123000 26.8445 -37.1441 37.0897 -36.7682 -14.967 47.4479 39.6646 47.4762 10.208 TIMING: 123000 CPU: 391.322, 0.0032102/step Wall: 391.322, 0.0032102/step, 4.34893 hours remaining, 227.980469 MB of memory in use. ENERGY: 123000 3982.8074 20566.2956 14462.7894 243.5840 -203006.9647 2128.2480 0.0000 0.0000 51960.6968 -109662.5435 298.6188 -161623.2403 -109306.8147 299.0191 99.0596 123.7617 760269.7888 7.3207 7.3618 PRESSURE: 123200 -483.724 -258.572 247.298 -258.572 77.3941 -62.5707 247.299 -62.5691 -184.908 GPRESSURE: 123200 -338.923 -307.635 186.213 -179.685 21.4196 -62.5231 278.965 62.6254 -186.532 PRESSAVG: 123200 13.5009 -18.702 15.052 -18.702 -34.4782 -1.35227 15.052 -1.35228 22.3699 GPRESSAVG: 123200 14.1578 -18.7812 15.3433 -18.5356 -35.8232 0.359489 14.9003 -1.05526 23.4542 TIMING: 123200 CPU: 391.96, 0.003188/step Wall: 391.96, 0.003188/step, 4.31868 hours remaining, 227.980469 MB of memory in use. ENERGY: 123200 4030.1296 20436.2396 14523.5869 244.2305 -203583.5263 2388.3797 0.0000 0.0000 52225.0309 -109735.9291 300.1380 -161960.9600 -109380.0476 298.6561 -197.0792 -168.0118 760990.9114 0.4642 0.5963 PRESSURE: 123400 -39.5415 -118.871 268.571 -118.87 54.921 6.209 268.571 6.20945 -342.283 GPRESSURE: 123400 37.734 -65.4645 337.03 -49.6817 94.4764 -13.2107 114.859 -17.6158 -372.459 PRESSAVG: 123400 -1.96698 2.4829 64.1735 2.48288 -8.15104 81.6997 64.1735 81.6997 13.6116 GPRESSAVG: 123400 -1.35128 1.0254 64.3381 2.10289 -8.38178 78.7139 65.7585 81.5959 13.221 TIMING: 123400 CPU: 392.598, 0.0031928/step Wall: 392.598, 0.0031928/step, 4.325 hours remaining, 227.980469 MB of memory in use. ENERGY: 123400 3979.5740 20616.8302 14507.5060 253.5514 -203499.0278 2538.7846 0.0000 0.0000 51866.3792 -109736.4023 298.0768 -161602.7816 -109374.6328 299.0413 -108.9677 -80.0830 760554.7376 1.1645 1.1626 PRESSURE: 123600 -93.4973 -275.934 222.888 -275.933 -46.8545 -86.8413 222.888 -86.8404 277.541 GPRESSURE: 123600 -73.4216 -267.104 190.581 -349.187 -6.82925 -107.966 258.569 -60.5525 300.992 PRESSAVG: 123600 18.172 -35.6743 108.027 -35.6742 9.31781 -3.60256 108.027 -3.60252 14.7066 GPRESSAVG: 123600 17.6463 -33.6659 109.679 -34.6298 9.91046 -1.81872 106.285 -5.33966 14.9233 TIMING: 123600 CPU: 393.239, 0.00320251/step Wall: 393.239, 0.00320251/step, 4.33798 hours remaining, 227.980469 MB of memory in use. ENERGY: 123600 3927.8589 20567.0703 14494.4836 226.4815 -203697.9502 2664.5782 0.0000 0.0000 52235.3096 -109582.1682 300.1970 -161817.4778 -109201.5041 299.2055 45.7298 73.5804 761349.0336 14.0655 14.1600 PRESSURE: 123800 183.156 10.3507 -354.822 10.351 -62.7078 -70.382 -354.822 -70.3818 209.193 GPRESSURE: 123800 105.342 -57.4566 -384.973 76.3554 38.9034 71.8395 -245.491 -130.057 257.487 PRESSAVG: 123800 -71.5511 -58.2029 5.36434 -58.203 67.8696 39.7505 5.36432 39.7504 -17.5715 GPRESSAVG: 123800 -72.3378 -57.3839 4.14173 -59.9509 67.9175 39.3591 7.03537 40.1555 -16.9616 TIMING: 123800 CPU: 393.881, 0.00321005/step Wall: 393.881, 0.00321005/step, 4.34801 hours remaining, 227.980469 MB of memory in use. ENERGY: 123800 4015.3297 20586.2119 14446.6947 240.1083 -203543.4325 2767.4589 0.0000 0.0000 51863.9762 -109623.6527 298.0630 -161487.6290 -109270.9729 299.1162 109.8803 133.9108 761172.6105 -7.0844 -7.1273 PRESSURE: 124000 -121.081 -41.6149 -199.091 -41.6163 -298.085 -130.676 -199.092 -130.677 128.07 GPRESSURE: 124000 -50.6811 117.285 -167.997 -58.8749 -299.175 -142.82 -135.038 -67.2216 153.537 PRESSAVG: 124000 13.4875 -27.3802 -52.134 -27.3802 7.41455 32.0761 -52.134 32.0761 -14.9901 GPRESSAVG: 124000 14.9146 -28.1227 -50.9304 -26.1181 5.81384 30.7797 -51.6776 33.3177 -14.1751 TIMING: 124000 CPU: 394.514, 0.00316661/step Wall: 394.514, 0.00316661/step, 4.289 hours remaining, 227.980469 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: 124000 4024.1062 20538.4242 14555.2355 242.8851 -203341.0193 2381.9040 0.0000 0.0000 51938.1761 -109660.2881 298.4894 -161598.4642 -109298.2126 299.3040 -97.0319 -65.4397 759671.3504 1.9707 2.1844 PRESSURE: 124200 158.889 168.463 224.87 168.464 -105.215 -14.8719 224.869 -14.8722 -297.561 GPRESSURE: 124200 56.1838 44.8738 233.723 191.26 50.1909 36.469 126.957 47.4928 -231.966 PRESSAVG: 124200 -44.5043 -0.026469 -8.3385 -0.0264447 24.957 42.4489 -8.33852 42.4489 -7.75723 GPRESSAVG: 124200 -44.1536 0.723352 -9.75708 0.470601 25.9698 42.9494 -9.87661 41.0174 -9.16549 TIMING: 124200 CPU: 395.146, 0.00316139/step Wall: 395.146, 0.00316139/step, 4.28176 hours remaining, 227.980469 MB of memory in use. ENERGY: 124200 3993.9616 20537.4315 14412.2257 255.2949 -203159.6463 2171.4827 0.0000 0.0000 52078.3710 -109710.8788 299.2951 -161789.2498 -109344.7524 298.7043 -81.2955 -41.8639 761448.2567 -9.1015 -9.1164 LDB: ============= START OF LOAD BALANCING ============== 407.569 LDB: ============== END OF LOAD BALANCING =============== 407.569 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 407.571 LDB: ============= START OF LOAD BALANCING ============== 407.888 LDB: Largest compute 7033 load 0.035806 is 18.4% of average load 0.194817 LDB: Average compute 0.004403 is 2.3% of average load 0.194817 LDB: TIME 407.892 LOAD: AVG 0.194817 MAX 0.211879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.773 MB LDB: TIME 407.893 LOAD: AVG 0.194817 MAX 0.211879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.93 MB LDB: TIME 407.893 LOAD: AVG 0.194817 MAX 0.211879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.93 MB LDB: ============== END OF LOAD BALANCING =============== 407.895 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 407.901 PRESSURE: 124400 183.668 81.2427 -153.272 81.2443 16.4476 -11.8124 -153.271 -11.8121 -304.334 GPRESSURE: 124400 178.313 -19.5147 -82.5419 -7.77776 30.8317 -96.7098 -102.111 36.83 -245.095 PRESSAVG: 124400 -11.5082 -36.5034 56.0188 -36.5034 37.3373 -24.8832 56.0188 -24.8833 -4.33216 GPRESSAVG: 124400 -12.6221 -38.7341 57.1827 -36.0117 37.8558 -24.9207 56.1864 -25.1537 -3.83578 TIMING: 124400 CPU: 395.795, 0.0032414/step Wall: 395.795, 0.0032414/step, 4.38993 hours remaining, 228.527344 MB of memory in use. ENERGY: 124400 3926.1810 20583.9176 14431.9936 252.8754 -203764.1326 2659.3278 0.0000 0.0000 52256.9853 -109652.8518 300.3216 -161909.8372 -109295.8913 299.1018 -34.7394 -11.9831 760195.2795 7.1656 7.1326 PRESSURE: 124600 -119.915 311.203 -93.2436 311.204 218.126 137.307 -93.2442 137.307 -110.361 GPRESSURE: 124600 -146.117 291.536 -156.726 378.155 183.545 128.66 -89.0952 53.1791 22.3611 PRESSAVG: 124600 -10.8396 -55.535 3.44674 -55.535 -4.70238 31.3592 3.44672 31.3592 -0.0267766 GPRESSAVG: 124600 -10.9676 -55.7192 3.19512 -55.8232 -6.13111 32.5996 4.34898 31.3648 1.17434 TIMING: 124600 CPU: 396.431, 0.00317881/step Wall: 396.431, 0.00317882/step, 4.305 hours remaining, 228.527344 MB of memory in use. ENERGY: 124600 3959.5444 20595.9683 14443.3298 262.3839 -203610.5256 2566.6187 0.0000 0.0000 51992.1132 -109790.5673 298.7994 -161782.6805 -109435.9542 298.7925 -4.0500 19.9298 761023.6499 -5.1896 -5.3081 PRESSURE: 124800 -205.182 108.261 -46.2623 108.26 -122.187 -44.9287 -46.2626 -44.9278 121.409 GPRESSURE: 124800 -49.6795 141.744 -70.2135 2.83016 -106.902 33.6433 27.4373 -46.3398 38.4247 PRESSAVG: 124800 -46.2365 -30.214 14.8332 -30.2139 19.9613 -29.259 14.8332 -29.2591 -3.97582 GPRESSAVG: 124800 -44.4852 -29.7675 15.1033 -30.802 19.8488 -28.5992 13.4552 -29.2646 -5.34145 TIMING: 124800 CPU: 397.064, 0.00316888/step Wall: 397.064, 0.00316888/step, 4.29137 hours remaining, 228.527344 MB of memory in use. ENERGY: 124800 4027.0187 20472.3675 14467.0339 243.0854 -203637.2194 2572.5347 0.0000 0.0000 52106.5085 -109748.6707 299.4568 -161855.1792 -109382.4765 298.7759 -68.6534 -39.3856 761127.6757 -10.0836 -9.9926 PRESSURE: 125000 -307.71 -1.21231 28.6448 -1.21248 -438.786 -277.166 28.6454 -277.166 -48.1248 GPRESSURE: 125000 -366.99 -72.4931 88.8601 -54.0173 -314.785 -220.205 54.6744 -301.052 -38.7547 PRESSAVG: 125000 15.8074 5.01896 11.6796 5.01894 -15.1524 14.4129 11.6796 14.4128 -15.0377 GPRESSAVG: 125000 13.6351 4.5185 12.3774 4.54327 -13.3204 13.4377 10.684 14.6974 -15.1684 TIMING: 125000 CPU: 397.7, 0.00317823/step Wall: 397.7, 0.00317823/step, 4.30385 hours remaining, 228.527344 MB of memory in use. ENERGY: 125000 4085.1618 20604.5155 14499.4862 242.6621 -203522.2716 2394.8850 0.0000 0.0000 51791.5832 -109903.9777 297.6469 -161695.5609 -109549.9429 298.4466 -264.8739 -240.1764 761891.6294 -4.7942 -4.9512 PRESSURE: 125200 129.113 29.5809 -95.7236 29.5806 255.504 124.556 -95.7229 124.555 153.073 GPRESSURE: 125200 172.464 136.113 -49.8965 -5.99914 314.573 120.553 -83.1792 93.8738 130.626 PRESSAVG: 125200 -10.0002 -9.87183 14.2663 -9.87188 8.81664 -36.9344 14.2663 -36.9344 6.57447 GPRESSAVG: 125200 -9.26436 -7.95498 13.0779 -11.0533 7.84774 -37.0915 14.5496 -37.7682 6.35256 TIMING: 125200 CPU: 398.341, 0.00320703/step Wall: 398.341, 0.00320703/step, 4.34267 hours remaining, 228.527344 MB of memory in use. ENERGY: 125200 4022.0151 20390.6429 14485.7034 236.4696 -204425.0588 3200.5315 0.0000 0.0000 52264.4194 -109825.2767 300.3643 -162089.6962 -109469.1674 298.7928 179.2301 205.8875 760451.2168 1.7970 1.6453 PRESSURE: 125400 -80.6319 -57.1514 49.0617 -57.151 14.5276 52.9989 49.0622 52.9987 -566.859 GPRESSURE: 125400 -112.044 -126.246 167.869 56.5194 18.7153 37.249 73.0916 129.34 -451.208 PRESSAVG: 125400 -57.1716 -33.6352 46.5928 -33.6352 17.1947 19.7366 46.5928 19.7366 1.83047 GPRESSAVG: 125400 -57.8281 -33.0255 46.3047 -30.9477 17.1763 19.4113 46.8336 19.8437 2.77569 TIMING: 125400 CPU: 398.975, 0.00316804/step Wall: 398.975, 0.00316804/step, 4.28971 hours remaining, 228.527344 MB of memory in use. ENERGY: 125400 3936.9337 20634.9516 14411.2039 257.4640 -203417.3337 2165.5448 0.0000 0.0000 52115.9320 -109895.3036 299.5110 -162011.2356 -109526.8889 298.7022 -210.9878 -181.5124 760700.9109 -12.7155 -12.6254 PRESSURE: 125600 -16.2658 198.828 59.3578 198.828 -204.233 58.3635 59.3576 58.3645 158.038 GPRESSURE: 125600 45.4139 254.756 115.594 269.703 -156.353 29.6581 -16.7065 102.897 121.198 PRESSAVG: 125600 -39.3482 -27.9418 6.37157 -27.9419 61.7402 75.7606 6.37164 75.7606 -7.68699 GPRESSAVG: 125600 -39.2727 -27.3867 6.35652 -32.3571 62.4313 75.4808 6.44403 77.0218 -8.1846 TIMING: 125600 CPU: 399.608, 0.00316298/step Wall: 399.608, 0.00316298/step, 4.28267 hours remaining, 228.527344 MB of memory in use. ENERGY: 125600 4031.0937 20568.6592 14447.6019 242.7224 -203773.1982 2625.5368 0.0000 0.0000 51882.9777 -109974.6065 298.1722 -161857.5842 -109606.9535 298.7006 -20.8205 3.4197 760924.6073 4.9017 4.9913 PRESSURE: 125800 -85.0763 -116.144 -162.725 -116.143 115.954 150.673 -162.725 150.674 -89.585 GPRESSURE: 125800 -50.9518 -209.952 -172.942 -90.1934 80.1888 138.156 -64.8717 96.0013 -14.4693 PRESSAVG: 125800 -18.2377 13.1916 14.7878 13.1916 40.8842 33.9017 14.7879 33.9016 -6.62125 GPRESSAVG: 125800 -17.667 11.249 15.1365 16.9934 40.4748 35.7248 14.0641 32.964 -6.25319 TIMING: 125800 CPU: 400.238, 0.00315356/step Wall: 400.238, 0.00315356/step, 4.26974 hours remaining, 228.527344 MB of memory in use. ENERGY: 125800 3979.1229 20505.0404 14489.4623 231.1391 -203581.6379 2423.2506 0.0000 0.0000 52221.6788 -109731.9438 300.1187 -161953.6226 -109374.6116 298.5782 -19.5690 4.9225 760759.6242 5.3417 5.5182 PRESSURE: 126000 -90.1248 -6.57983 259.142 -6.58055 -18.722 69.1643 259.141 69.1636 -269.202 GPRESSURE: 126000 -125.389 -17.8137 313.174 35.1598 68.3876 92.9974 154.187 8.03475 -239.854 PRESSAVG: 126000 -37.2317 -25.7292 46.3096 -25.7292 53.6891 14.0451 46.3095 14.0452 11.8993 GPRESSAVG: 126000 -38.1335 -23.9851 47.1178 -27.1771 53.4467 11.3768 46.2386 16.3829 13.1106 TIMING: 126000 CPU: 400.874, 0.00317639/step Wall: 400.874, 0.00317639/step, 4.30048 hours remaining, 228.527344 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: 126000 4006.4478 20613.5845 14504.8711 278.8946 -203457.0928 2386.7764 0.0000 0.0000 51982.2045 -109684.3140 298.7424 -161666.5185 -109312.4138 299.0154 -126.0163 -98.9520 761091.0053 9.4522 9.4746 PRESSURE: 126200 124.031 -296.817 135.136 -296.818 78.7546 118.622 135.136 118.621 43.8987 GPRESSURE: 126200 190.275 -288.403 87.9349 -182.01 13.1114 102.614 34.419 209.604 118.142 PRESSAVG: 126200 -93.3168 -12.9008 20.0025 -12.9007 46.3866 31.5525 20.0026 31.5525 3.47466 GPRESSAVG: 126200 -91.5567 -12.9771 18.4768 -13.0411 46.0227 34.0891 19.706 27.2802 2.56746 TIMING: 126200 CPU: 401.508, 0.00317018/step Wall: 401.508, 0.00317018/step, 4.29189 hours remaining, 228.527344 MB of memory in use. ENERGY: 126200 3967.9616 20607.9162 14541.8089 236.9217 -203812.1650 2687.0977 0.0000 0.0000 51980.9738 -109789.4850 298.7354 -161770.4588 -109429.6493 299.0792 82.2282 107.1762 761345.4689 -14.4852 -14.3222 PRESSURE: 126400 -76.0392 237.687 79.1345 237.688 132.833 218.427 79.1337 218.428 -14.2502 GPRESSURE: 126400 -0.454156 266.364 161.759 24.6025 169.537 228.044 94.4454 135.671 -40.6351 PRESSAVG: 126400 -60.5723 -52.9794 56.8845 -52.9795 27.1272 48.7465 56.8844 48.7466 -6.15785 GPRESSAVG: 126400 -61.679 -54.5209 58.5322 -53.2215 27.4952 47.8486 55.7692 51.2995 -4.75521 TIMING: 126400 CPU: 402.145, 0.00318607/step Wall: 402.145, 0.00318607/step, 4.31323 hours remaining, 228.527344 MB of memory in use. ENERGY: 126400 3970.3825 20551.1540 14498.8520 248.1827 -203571.3096 2595.2740 0.0000 0.0000 51906.4548 -109801.0096 298.3071 -161707.4644 -109443.1284 298.9197 14.1811 42.8159 760665.9892 -13.2010 -12.9797 PRESSURE: 126600 184.666 20.8815 -108.827 20.8814 83.8219 -82.0384 -108.827 -82.0373 -100.87 GPRESSURE: 126600 198.829 -19.0484 -89.9104 72.4568 83.8091 23.4131 -66.9764 -139.729 -31.6411 PRESSAVG: 126600 -40.0838 -42.7068 47.3566 -42.7067 45.9141 39.9634 47.3566 39.9634 25.1805 GPRESSAVG: 126600 -39.4072 -42.3665 47.2534 -42.1661 46.3855 39.7489 46.9112 40.4739 23.8373 TIMING: 126600 CPU: 402.785, 0.00320244/step Wall: 402.785, 0.00320244/step, 4.33521 hours remaining, 228.527344 MB of memory in use. ENERGY: 126600 3943.4192 20574.1035 14493.7750 255.8522 -203378.1690 2550.9415 0.0000 0.0000 51924.7447 -109635.3330 298.4122 -161560.0776 -109278.9306 298.5822 55.8725 83.6656 760374.3437 10.3369 10.2719 PRESSURE: 126800 42.4729 -90.7207 -33.9334 -90.7208 67.199 -97.2363 -33.9334 -97.2358 -169.425 GPRESSURE: 126800 35.7285 -120.769 -52.6172 -113.084 114.233 -76.0493 4.22754 -129.953 -117.018 PRESSAVG: 126800 -29.8864 -76.7143 14.312 -76.7142 3.9965 47.9478 14.3119 47.9479 -19.7148 GPRESSAVG: 126800 -29.6442 -75.8786 14.0696 -76.422 3.37559 47 15.9992 48.2426 -18.9252 TIMING: 126800 CPU: 403.427, 0.00321082/step Wall: 403.427, 0.00321082/step, 4.34639 hours remaining, 228.527344 MB of memory in use. ENERGY: 126800 3958.1795 20722.8170 14474.1370 238.8957 -203302.0169 2459.0941 0.0000 0.0000 51709.6075 -109739.2860 297.1758 -161448.8936 -109389.8009 298.4259 -19.9176 10.9813 762480.9469 -15.2016 -15.0646 PRESSURE: 127000 429.795 -209.277 68.9555 -209.276 -233.589 0.228977 68.9557 0.228096 582.713 GPRESSURE: 127000 475.274 -207.038 59.0853 -96.3508 -232.794 -47.0313 14.5861 66.4168 625.56 PRESSAVG: 127000 46.1859 -73.4859 48.6149 -73.4859 -17.608 26.3627 48.6149 26.3626 -22.8605 GPRESSAVG: 127000 46.5339 -74.1476 48.3624 -73.5997 -17.0795 27.5676 48.8239 26.6622 -23.519 TIMING: 127000 CPU: 404.062, 0.00317281/step Wall: 404.062, 0.00317281/step, 4.29475 hours remaining, 228.527344 MB of memory in use. ENERGY: 127000 3942.0620 20356.2934 14462.9945 219.7221 -203454.8115 2704.8744 0.0000 0.0000 51867.0020 -109901.8631 298.0804 -161768.8651 -109538.4245 298.6162 259.6395 289.3471 760232.9229 1.9058 1.9785 PRESSURE: 127200 -5.15904 140.045 -226.086 140.044 -136.097 -81.2446 -226.086 -81.2456 419.184 GPRESSURE: 127200 93.3659 109.372 -148.493 133.222 -39.672 -60.9889 -167.393 -20.1632 314.628 PRESSAVG: 127200 58.9301 -28.8901 11.6659 -28.8901 -34.8633 38.8975 11.666 38.8975 12.7024 GPRESSAVG: 127200 59.0605 -27.4074 11.0955 -29.3656 -34.8966 39.1395 13.032 37.307 12.7913 TIMING: 127200 CPU: 404.697, 0.003177/step Wall: 404.697, 0.003177/step, 4.30025 hours remaining, 228.527344 MB of memory in use. ENERGY: 127200 3962.8360 20422.2415 14476.2133 235.0093 -203579.2012 2604.0650 0.0000 0.0000 52163.0313 -109715.8047 299.7817 -161878.8361 -109345.2746 298.0856 92.6425 122.7741 760253.2093 12.2564 12.3184 PRESSURE: 127400 98.4399 -110.472 -19.7167 -110.472 -237.962 258.187 -19.7163 258.186 -350.027 GPRESSURE: 127400 174.687 -151.858 -30.361 -16.5421 -198.944 172.703 -59.8942 356.953 -356.36 PRESSAVG: 127400 10.7968 15.6904 -22.4532 15.6904 -28.9228 -1.4452 -22.4532 -1.4452 -24.812 GPRESSAVG: 127400 11.1254 15.5606 -21.7143 13.808 -28.8823 -2.29458 -24.6296 0.846244 -25.3624 TIMING: 127400 CPU: 405.332, 0.00317423/step Wall: 405.332, 0.00317423/step, 4.29632 hours remaining, 228.527344 MB of memory in use. ENERGY: 127400 3967.6856 20434.3367 14491.1049 251.0996 -203205.1253 2194.1981 0.0000 0.0000 52002.8008 -109863.8995 298.8608 -161866.7003 -109500.4100 297.9819 -163.1828 -126.8724 760529.2971 -14.3127 -14.3731 PRESSURE: 127600 -198.931 91.6452 148.83 91.6453 75.6026 86.4717 148.829 86.4724 174.603 GPRESSURE: 127600 -91.9038 190.997 176.174 111.729 -3.22358 17.1547 209.844 76.2402 230.95 PRESSAVG: 127600 7.44764 -42.2598 -6.3944 -42.2599 11.8637 27.4272 -6.39441 27.4271 -1.5487 GPRESSAVG: 127600 6.39082 -42.9656 -6.68293 -39.6577 11.686 27.494 -3.70696 23.8755 -1.05828 TIMING: 127600 CPU: 405.967, 0.00317204/step Wall: 405.967, 0.00317204/step, 4.29318 hours remaining, 228.527344 MB of memory in use. ENERGY: 127600 3940.2905 20432.6613 14481.5370 240.5895 -203188.8325 2315.5724 0.0000 0.0000 51886.8825 -109891.2993 298.1946 -161778.1818 -109538.3536 297.9520 17.0914 45.2742 760382.9891 5.9209 5.6729 PRESSURE: 127800 187.783 131.699 -9.66708 131.7 264.776 -147.269 -9.66766 -147.269 602.31 GPRESSURE: 127800 241.178 154.639 -25.761 165.769 352.097 -116.743 -133.408 -42.4686 539.694 PRESSAVG: 127800 5.03332 61.8928 -17.5574 61.8927 -23.4377 78.3874 -17.5574 78.3873 23.6583 GPRESSAVG: 127800 4.73677 61.7592 -17.6165 61.5464 -23.0743 77.6785 -19.7241 80.5713 23.7595 TIMING: 127800 CPU: 406.604, 0.00318787/step Wall: 406.604, 0.00318787/step, 4.31442 hours remaining, 228.527344 MB of memory in use. ENERGY: 127800 3947.3661 20492.5777 14456.4852 235.1429 -203425.1061 2454.0553 0.0000 0.0000 51834.7792 -110004.6997 297.8952 -161839.4789 -109645.3281 298.4304 351.6229 377.6563 760057.2730 1.7513 1.8073 PRESSURE: 128000 391.835 267.271 43.1028 267.271 114.304 -362.673 43.1024 -362.674 298.017 GPRESSURE: 128000 415.318 180.861 109.24 247.94 111.909 -233.563 82.416 -219.157 336.512 PRESSAVG: 128000 -39.6204 29.692 46.6383 29.692 37.6364 10.5404 46.6383 10.5403 13.2887 GPRESSAVG: 128000 -39.5671 30.474 48.0171 29.7733 37.9564 12.3912 48.5653 10.6756 13.2938 TIMING: 128000 CPU: 407.246, 0.0032093/step Wall: 407.246, 0.0032093/step, 4.34325 hours remaining, 228.527344 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: 128000 3937.1775 20391.9557 14432.7983 251.1900 -203863.4256 2627.4808 0.0000 0.0000 52216.9912 -110005.8321 300.0918 -162222.8233 -109630.8598 298.1605 268.0520 287.9129 758637.0489 3.7682 3.8944 PRESSURE: 128200 -169.759 -164.869 -54.0193 -164.868 -81.3655 315.37 -54.0199 315.371 32.3233 GPRESSURE: 128200 -111.436 -242.918 -41.2271 -110.757 -45.6629 297.181 -163.986 315.218 40.1678 PRESSAVG: 128200 -44.1865 -7.02271 46.2225 -7.02274 46.2767 15.0847 46.2225 15.0847 -19.6656 GPRESSAVG: 128200 -44.9038 -7.93011 44.7378 -6.70236 45.996 13.638 43.3383 14.9316 -18.7902 TIMING: 128200 CPU: 407.88, 0.00316921/step Wall: 407.88, 0.00316921/step, 4.28883 hours remaining, 228.527344 MB of memory in use. ENERGY: 128200 3968.6287 20523.7258 14400.8792 246.9482 -203590.2188 2700.8234 0.0000 0.0000 51773.9271 -109975.2864 297.5455 -161749.2136 -109607.3452 298.4955 -72.9338 -38.9771 761008.6433 -5.8585 -5.8993 LDB: ============= START OF LOAD BALANCING ============== 420.307 LDB: ============== END OF LOAD BALANCING =============== 420.307 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 420.309 LDB: ============= START OF LOAD BALANCING ============== 420.629 LDB: Largest compute 7033 load 0.035618 is 18.3% of average load 0.194881 LDB: Average compute 0.004402 is 2.3% of average load 0.194881 LDB: TIME 420.632 LOAD: AVG 0.194881 MAX 0.213829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.566 MB LDB: TIME 420.633 LOAD: AVG 0.194881 MAX 0.213829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.766 MB LDB: TIME 420.633 LOAD: AVG 0.194881 MAX 0.213829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.766 MB LDB: ============== END OF LOAD BALANCING =============== 420.635 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 420.64 PRESSURE: 128400 -179.242 -97.3172 36.4667 -97.3171 -234.737 -77.4392 36.4666 -77.4387 93.544 GPRESSURE: 128400 -170.161 -130.272 6.42083 -64.3604 -225.652 -43.8226 54.0438 -107.513 161.263 PRESSAVG: 128400 2.10152 -62.0419 40.5367 -62.0419 45.4385 -0.756083 40.5367 -0.756057 1.23409 GPRESSAVG: 128400 2.86407 -63.9125 41.1145 -60.3666 45.2593 0.332464 42.4576 -3.03891 0.440741 TIMING: 128400 CPU: 408.534, 0.00326791/step Wall: 408.534, 0.00326791/step, 4.4222 hours remaining, 231.203125 MB of memory in use. ENERGY: 128400 3989.6601 20570.2469 14439.3801 252.0418 -203928.7852 2645.6804 0.0000 0.0000 51917.6600 -110114.1160 298.3715 -162031.7759 -109757.3699 298.0314 -106.8114 -78.1836 760291.6813 16.2580 16.1880 PRESSURE: 128600 -244.989 148.873 352.137 148.873 -13.5378 -74.0532 352.136 -74.0537 -354.667 GPRESSURE: 128600 -199.035 106.563 407.594 34.9867 -16.3786 -7.15254 271.819 29.4479 -326.316 PRESSAVG: 128600 24.8293 -49.7661 29.2795 -49.7661 -23.0419 4.36156 29.2795 4.3614 8.31883 GPRESSAVG: 128600 24.7796 -48.0814 28.2694 -53.2687 -23.5258 4.80636 30.3799 6.52207 9.04978 TIMING: 128600 CPU: 409.174, 0.00320205/step Wall: 409.174, 0.00320206/step, 4.33291 hours remaining, 231.308594 MB of memory in use. ENERGY: 128600 4001.8945 20619.9285 14432.1564 258.6010 -203339.2847 2249.2944 0.0000 0.0000 51646.0063 -110131.4036 296.8103 -161777.4099 -109779.2337 298.2562 -204.3979 -180.5764 760336.3814 3.3688 3.4345 PRESSURE: 128800 91.8284 -26.3421 286.34 -26.3427 144.972 -269.435 286.339 -269.435 57.0356 GPRESSURE: 128800 155.102 -11.4986 289.174 -94.6036 250.703 -286.859 291.624 -318.972 -35.9511 PRESSAVG: 128800 24.2173 -78.6624 47.1454 -78.6625 -41.2531 18.5589 47.1453 18.5588 1.96722 GPRESSAVG: 128800 24.4147 -78.4826 48.4184 -77.9825 -40.7071 15.5991 46.9723 19.7357 1.20634 TIMING: 128800 CPU: 409.811, 0.00318631/step Wall: 409.811, 0.00318631/step, 4.31143 hours remaining, 231.320312 MB of memory in use. ENERGY: 128800 3921.7736 20668.6383 14404.5614 254.3953 -204024.3418 2569.8108 0.0000 0.0000 52063.3134 -110141.8490 299.2086 -162205.1624 -109784.9359 298.2001 97.9454 123.2846 758858.3574 -5.0229 -5.0287 PRESSURE: 129000 -108.66 -88.111 175.556 -88.1104 -93.3044 -61.4104 175.556 -61.4109 -113.908 GPRESSURE: 129000 -32.7591 -107.267 164.427 -123.257 -67.9089 24.713 51.5106 -188.245 -127.185 PRESSAVG: 129000 -5.69157 -72.6256 9.66119 -72.6255 8.24858 1.36596 9.66124 1.36592 12.4605 GPRESSAVG: 129000 -5.77991 -72.066 10.999 -72.146 7.97095 3.59224 8.33293 -0.374872 12.7785 TIMING: 129000 CPU: 410.445, 0.00316933/step Wall: 410.445, 0.00316933/step, 4.28828 hours remaining, 231.320312 MB of memory in use. ENERGY: 129000 3938.8797 20485.9480 14386.4232 234.5801 -203769.0497 2509.1688 0.0000 0.0000 51965.0908 -110248.9592 298.6441 -162214.0500 -109883.6148 298.2439 -105.2907 -75.9510 758221.2489 5.0058 4.9898 PRESSURE: 129200 175.323 51.2017 -30.1706 51.2016 -273.486 2.44849 -30.1707 2.44831 99.427 GPRESSURE: 129200 237.923 -28.9253 -55.3249 -96.0164 -272.725 -98.6066 -19.2808 -87.1444 96.5912 PRESSAVG: 129200 -29.2558 -61.1603 34.9732 -61.1603 25.6534 38.5686 34.9732 38.5685 3.63676 GPRESSAVG: 129200 -29.7575 -62.5407 35.7399 -61.6205 26.518 37.4876 34.4298 38.6801 3.17084 TIMING: 129200 CPU: 411.079, 0.00316792/step Wall: 411.079, 0.00316792/step, 4.28619 hours remaining, 231.320312 MB of memory in use. ENERGY: 129200 3907.4828 20435.4740 14459.9294 246.7841 -203319.9133 2334.5349 0.0000 0.0000 51727.3502 -110208.3580 297.2778 -161935.7082 -109833.1257 297.9617 0.4215 20.5965 760482.6822 0.0115 -0.0229 PRESSURE: 129400 289.118 71.0704 69.1912 71.0703 5.64054 -89.711 69.1911 -89.71 16.6902 GPRESSURE: 129400 268.645 85.805 95.5907 98.2906 134.59 -87.9361 93.9917 -109.205 -6.21925 PRESSAVG: 129400 34.3968 -59.8386 -15.2236 -59.8387 11.5966 -17.0398 -15.2237 -17.0398 -3.75022 GPRESSAVG: 129400 34.5137 -60.7898 -18.4025 -59.0608 11.55 -16.6533 -14.2118 -16.224 -3.49458 TIMING: 129400 CPU: 411.706, 0.00313922/step Wall: 411.706, 0.00313922/step, 4.24719 hours remaining, 231.320312 MB of memory in use. ENERGY: 129400 3995.6745 20511.6962 14459.8546 252.6358 -203846.1400 2515.2556 0.0000 0.0000 51953.1451 -110157.8782 298.5754 -162111.0233 -109797.4423 298.0457 103.8164 132.3385 759612.8911 14.0811 14.1897 PRESSURE: 129600 289.52 -64.6095 -137.685 -64.6086 198.445 -212.897 -137.685 -212.897 747.151 GPRESSURE: 129600 366.17 -51.8336 -76.3778 -62.1055 241.738 -144.067 -82.4168 -107.435 706.857 PRESSAVG: 129600 34.0598 -81.1719 16.1406 -81.1718 11.4123 12.5602 16.1406 12.5603 14.1644 GPRESSAVG: 129600 35.1351 -79.0926 18.111 -81.4465 9.83676 12.2381 13.6945 11.8383 14.4944 TIMING: 129600 CPU: 412.333, 0.00313201/step Wall: 412.333, 0.00313201/step, 4.23725 hours remaining, 231.320312 MB of memory in use. ENERGY: 129600 3972.5474 20576.9263 14432.6119 257.5323 -203994.0912 2926.4526 0.0000 0.0000 51886.8859 -109941.1349 298.1946 -161828.0207 -109586.5618 298.0384 411.7053 438.2549 759462.3331 19.8788 19.8221 PRESSURE: 129800 -91.63 -275.39 94.057 -275.39 -291.023 7.47474 94.0578 7.47451 -109.011 GPRESSURE: 129800 -153.705 -269.331 144.198 -137.679 -201.064 -30.2322 -23.0606 -81.9776 -60.7506 PRESSAVG: 129800 16.3281 -81.7736 -50.4101 -81.7735 -21.2503 -4.9383 -50.4101 -4.93831 -16.7398 GPRESSAVG: 129800 16.0202 -80.6879 -52.0864 -81.6482 -20.1607 -3.81962 -46.9731 -5.15062 -17.5134 TIMING: 129800 CPU: 412.962, 0.00314578/step Wall: 412.962, 0.00314578/step, 4.25572 hours remaining, 231.320312 MB of memory in use. ENERGY: 129800 3959.2863 20610.6419 14442.0574 235.0924 -203416.3528 2433.9781 0.0000 0.0000 51783.7802 -109951.5166 297.6021 -161735.2968 -109589.6910 298.6457 -163.8881 -138.5067 761067.8109 -7.2207 -7.2180 PRESSURE: 130000 434.407 -226.704 -49.4782 -226.704 382.637 -24.2286 -49.4774 -24.2279 179.465 GPRESSURE: 130000 332.313 -108.213 -53.3707 -166.995 538.688 -27.5686 21.8038 -58.0512 224.38 PRESSAVG: 130000 20.4192 -86.9729 -90.1366 -86.9729 11.7499 10.7884 -90.1366 10.7884 1.53511 GPRESSAVG: 130000 19.7937 -88.0249 -88.3065 -84.8977 10.092 11.1785 -93.0982 10.0589 3.41116 TIMING: 130000 CPU: 413.605, 0.00321361/step Wall: 413.605, 0.00321361/step, 4.3473 hours remaining, 231.320312 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: 130000 3960.9366 20607.6287 14407.3181 253.4205 -204115.1578 2843.3201 0.0000 0.0000 52237.0842 -109805.4494 300.2072 -162042.5337 -109439.1517 298.9527 332.1698 365.1268 760394.8587 11.2347 11.0990 PRESSURE: 130200 -163.321 -44.2041 -102.783 -44.2042 283.475 99.8326 -102.783 99.8326 212.162 GPRESSURE: 130200 -75.3527 59.6978 -39.612 6.76124 320.354 72.843 -156.269 149.042 197.524 PRESSAVG: 130200 -8.07167 -84.5456 -76.3147 -84.5457 15.1717 -5.57541 -76.3148 -5.5754 12.2626 GPRESSAVG: 130200 -8.20878 -86.556 -77.1246 -84.7192 15.0959 -7.26484 -73.9107 -3.23259 12.1241 TIMING: 130200 CPU: 414.249, 0.00322016/step Wall: 414.249, 0.00322016/step, 4.35598 hours remaining, 231.320312 MB of memory in use. ENERGY: 130200 3989.6042 20445.5628 14418.7263 249.3911 -203688.3387 2565.7622 0.0000 0.0000 52101.1325 -109918.1596 299.4259 -162019.2921 -109553.2244 299.0666 110.7720 147.5084 760132.7962 6.4542 6.3371 PRESSURE: 130400 -628.752 -244.105 40.4192 -244.106 -271.286 170.328 40.419 170.328 -236.511 GPRESSURE: 130400 -613.507 -268.711 6.5178 -217.312 -256.343 213.326 153.654 176.593 -175.678 PRESSAVG: 130400 -25.7865 -31.6505 -35.8138 -31.6506 23.5065 -10.3683 -35.8138 -10.3684 -6.9064 GPRESSAVG: 130400 -24.617 -33.0983 -35.3587 -31.1916 23.8908 -7.87148 -36.9537 -11.0812 -8.70276 TIMING: 130400 CPU: 414.889, 0.00320034/step Wall: 414.889, 0.00320034/step, 4.32899 hours remaining, 231.320312 MB of memory in use. ENERGY: 130400 4058.0507 20491.0845 14565.6859 255.5207 -203413.6410 2391.5530 0.0000 0.0000 51690.6043 -109961.1419 297.0666 -161651.7462 -109604.5537 298.6622 -378.8497 -348.5093 763880.1194 -3.0621 -3.1430 PRESSURE: 130600 -106.646 -50.2903 57.0197 -50.2905 88.049 -23.8167 57.0201 -23.8166 304.082 GPRESSURE: 130600 -105.698 -7.31036 -18.7991 -16.9096 94.8169 -30.7677 125.323 -72.2581 366.209 PRESSAVG: 130600 -11.482 4.20672 -25.6622 4.20672 -3.56198 39.9006 -25.6621 39.9005 -9.70946 GPRESSAVG: 130600 -12.5551 8.25319 -26.4815 2.5963 -2.42621 39.0464 -24.8233 40.1956 -9.83897 TIMING: 130600 CPU: 415.534, 0.00322747/step Wall: 415.534, 0.00322747/step, 4.36551 hours remaining, 231.320312 MB of memory in use. ENERGY: 130600 3984.3966 20513.6113 14539.8037 258.2767 -203549.3383 2588.3594 0.0000 0.0000 51759.0648 -109905.8258 297.4601 -161664.8906 -109549.0921 298.2679 95.1617 118.4428 760677.4447 -8.2511 -8.2734 PRESSURE: 130800 140.273 -110.168 281.151 -110.168 294.868 -122.9 281.152 -122.9 228.755 GPRESSURE: 130800 243.994 -86.2676 222.588 -86.9132 299.871 -159.066 229.416 -79.6976 218.906 PRESSAVG: 130800 -7.65353 -25.7593 38.8382 -25.7593 8.72509 34.3814 38.8382 34.3814 -7.68333 GPRESSAVG: 130800 -7.71975 -28.2113 38.2968 -23.838 8.46613 33.7458 38.8301 33.093 -6.86155 TIMING: 130800 CPU: 416.18, 0.00323064/step Wall: 416.18, 0.00323064/step, 4.36962 hours remaining, 231.320312 MB of memory in use. ENERGY: 130800 3929.6345 20542.8699 14458.2823 241.6469 -203846.9141 2706.8767 0.0000 0.0000 51953.3511 -110014.2527 298.5766 -161967.6038 -109655.6072 298.7642 221.2987 254.2569 759376.2008 -2.2039 -2.0384 PRESSURE: 131000 -167.205 -130.775 167.697 -130.775 -270.232 -167.356 167.697 -167.356 -293.557 GPRESSURE: 131000 -185.686 -241.211 183.186 -73.323 -146.326 -105.47 53.0356 -91.36 -303.177 PRESSAVG: 131000 13.7249 -35.3187 -14.1112 -35.3187 20.5011 13.7749 -14.1113 13.775 0.147818 GPRESSAVG: 131000 14.0734 -35.1134 -14.9161 -37.0789 20.579 13.4824 -12.4044 15.6802 -0.546535 TIMING: 131000 CPU: 416.823, 0.00321453/step Wall: 416.823, 0.00321453/step, 4.34765 hours remaining, 231.320312 MB of memory in use. ENERGY: 131000 3944.9516 20513.0378 14436.5297 233.5109 -203489.7506 2313.8719 0.0000 0.0000 52109.7827 -109938.0659 299.4756 -162047.8487 -109594.3701 298.8545 -243.6645 -211.7298 761312.6435 11.4579 11.3686 PRESSURE: 131200 -275.268 -68.396 184.843 -68.3949 196.795 67.3314 184.843 67.3303 -254.847 GPRESSURE: 131200 -186.844 -181.848 196.634 -133.892 115.858 53.9265 170.622 -60.0481 -178.308 PRESSAVG: 131200 36.6383 -46.1159 -30.8875 -46.1159 -9.51791 -4.72202 -30.8875 -4.72211 -7.22833 GPRESSAVG: 131200 36.0624 -45.6344 -30.7316 -45.1759 -9.57468 -5.55016 -34.0723 -5.43554 -6.48336 TIMING: 131200 CPU: 417.46, 0.0031836/step Wall: 417.46, 0.0031836/step, 4.30564 hours remaining, 231.320312 MB of memory in use. ENERGY: 131200 3939.2999 20455.3568 14420.7017 266.2463 -203877.9130 2564.4191 0.0000 0.0000 52131.0313 -110100.8579 299.5978 -162231.8892 -109734.9040 298.4972 -111.1067 -83.0979 760934.7638 6.6307 6.6681 PRESSURE: 131400 71.4538 50.5866 -1.67818 50.5873 100.475 -212.029 -1.67838 -212.029 -5.47916 GPRESSURE: 131400 196.182 -52.814 56.3459 -7.02836 39.4443 -227.258 23.6868 -232.903 20.3786 PRESSAVG: 131400 -17.9017 -20.7645 -21.5373 -20.7645 38.9209 2.82442 -21.5372 2.82433 16.4882 GPRESSAVG: 131400 -17.1911 -20.9897 -19.8806 -21.2117 38.2214 4.29829 -19.8519 2.09973 16.2689 TIMING: 131400 CPU: 418.102, 0.00320855/step Wall: 418.102, 0.00320855/step, 4.3392 hours remaining, 231.320312 MB of memory in use. ENERGY: 131400 4045.3763 20615.9309 14370.8169 250.3354 -203653.5015 2437.1202 0.0000 0.0000 52008.6677 -109925.2541 298.8945 -161933.9218 -109567.6670 298.9914 55.4832 85.3349 760526.2806 12.5025 12.4330 PRESSURE: 131600 -333.532 159.868 -55.8744 159.868 -234.295 -32.2621 -55.8731 -32.2631 -178.56 GPRESSURE: 131600 -322.524 205.772 -35.1448 204.825 -136.62 -3.06254 37.1034 -21.1407 -207.434 PRESSAVG: 131600 -8.92652 -15.2573 37.3305 -15.2573 39.1083 -11.0918 37.3306 -11.0918 7.53394 GPRESSAVG: 131600 -8.54092 -15.8052 35.036 -13.7146 38.8362 -10.5749 38.9621 -11.5788 7.24296 TIMING: 131600 CPU: 418.741, 0.00319413/step Wall: 418.741, 0.00319413/step, 4.31953 hours remaining, 231.320312 MB of memory in use. ENERGY: 131600 3955.0735 20678.5611 14552.4068 244.3155 -203767.1699 2475.1345 0.0000 0.0000 52003.8795 -109857.7989 298.8670 -161861.6784 -109502.9848 298.7886 -248.7956 -222.1928 759983.4461 12.5719 12.5127 PRESSURE: 131800 246.361 -175.225 -7.82003 -175.226 -12.9402 -0.672266 -7.81947 -0.671782 -313.646 GPRESSURE: 131800 263.008 -165.345 63.9279 -89.2887 23.35 45.3993 77.9209 -29.0627 -280.304 PRESSAVG: 131800 5.79164 -18.0929 -32.4074 -18.0929 -38.2413 95.0829 -32.4074 95.0828 -23.6477 GPRESSAVG: 131800 3.99286 -16.3527 -30.7952 -19.3471 -37.3595 95.8678 -34.4452 94.7131 -22.2663 TIMING: 131800 CPU: 419.379, 0.00319147/step Wall: 419.379, 0.00319147/step, 4.31575 hours remaining, 231.320312 MB of memory in use. ENERGY: 131800 4014.3739 20491.4524 14495.9580 249.3984 -203673.0623 2535.3879 0.0000 0.0000 52006.2636 -109880.2281 298.8807 -161886.4917 -109506.8762 299.0743 -26.7416 2.0180 758835.7930 -18.6991 -18.5443 PRESSURE: 132000 -262.495 -166.096 -102.322 -166.097 142.244 -34.7759 -102.322 -34.7765 -37.8804 GPRESSURE: 132000 -112.317 -250.605 -84.4082 -77.0301 165.614 -28.8023 -6.07354 -7.2992 -134.235 PRESSAVG: 132000 -7.16759 -33.8632 -40.4098 -33.8632 -5.03032 11.9798 -40.4098 11.9797 -4.99062 GPRESSAVG: 132000 -5.57743 -33.3964 -41.817 -34.9577 -5.19606 9.50256 -38.8306 13.7647 -6.6142 TIMING: 132000 CPU: 420.017, 0.00319212/step Wall: 420.017, 0.00319212/step, 4.31645 hours remaining, 231.320312 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: 132000 4037.7305 20651.7708 14407.3695 237.4951 -203522.1518 2277.8474 0.0000 0.0000 52099.3231 -109810.6155 299.4155 -161909.9386 -109448.2543 298.9014 -52.7106 -26.9796 757626.8626 -5.7295 -5.7959 PRESSURE: 132200 81.0583 -89.6788 -196.408 -89.679 -285.203 -54.4683 -196.408 -54.4688 -29.5683 GPRESSURE: 132200 132.84 -144.122 -182.907 -58.8827 -254.056 -30.1228 -158.461 55.8595 -5.13493 PRESSAVG: 132200 20.1225 14.6381 -5.50341 14.638 -18.4353 32.573 -5.50339 32.573 -5.8832 GPRESSAVG: 132200 21.2392 13.4225 -6.01886 13.3861 -19.449 33.1401 -6.93241 30.7266 -5.20494 TIMING: 132200 CPU: 420.654, 0.00318133/step Wall: 420.654, 0.00318133/step, 4.30169 hours remaining, 231.320312 MB of memory in use. ENERGY: 132200 3997.2536 20739.0161 14502.9973 234.8460 -203383.0455 2320.0262 0.0000 0.0000 51795.1799 -109793.7263 297.6676 -161588.9062 -109433.9926 299.0916 -77.9042 -42.1172 759629.3319 -1.3987 -1.1382 LDB: ============= START OF LOAD BALANCING ============== 433.084 LDB: ============== END OF LOAD BALANCING =============== 433.084 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 433.086 LDB: ============= START OF LOAD BALANCING ============== 433.402 LDB: Largest compute 7046 load 0.035457 is 18.2% of average load 0.194800 LDB: Average compute 0.004377 is 2.2% of average load 0.194800 LDB: TIME 433.406 LOAD: AVG 0.1948 MAX 0.21244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.598 MB LDB: TIME 433.406 LOAD: AVG 0.1948 MAX 0.21244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.797 MB LDB: TIME 433.407 LOAD: AVG 0.1948 MAX 0.21244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.797 MB LDB: ============== END OF LOAD BALANCING =============== 433.409 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 433.413 PRESSURE: 132400 -195.281 101.922 39.8629 101.923 -417.009 -112.972 39.8622 -112.972 -347.948 GPRESSURE: 132400 -136.735 139.442 -5.39758 85.9839 -275.428 -158.922 9.89828 -65.5668 -433.21 PRESSAVG: 132400 56.4772 -7.06644 -24.2801 -7.06643 -101.635 18.0833 -24.2801 18.0833 -7.60336 GPRESSAVG: 132400 55.9967 -7.12813 -23.9826 -6.81541 -99.5421 18.2458 -25.0563 19.4514 -8.41352 TIMING: 132400 CPU: 421.307, 0.00326827/step Wall: 421.307, 0.00326827/step, 4.41906 hours remaining, 230.910156 MB of memory in use. ENERGY: 132400 4048.1582 20560.5001 14529.3082 274.5265 -203575.7197 2338.9244 0.0000 0.0000 52244.7939 -109579.5084 300.2515 -161824.3023 -109213.5241 299.3438 -320.0791 -281.7911 759127.6798 -17.5869 -17.3196 PRESSURE: 132600 -352.345 -204.728 -19.3756 -204.728 -309.45 140.783 -19.3762 140.782 -432.65 GPRESSURE: 132600 -301.808 -146.002 48.4134 -255.946 -277.15 134.856 -14.4324 17.3997 -437.284 PRESSAVG: 132600 47.5545 0.899509 -14.0272 0.899543 -24.8155 33.8232 -14.0272 33.8232 6.50486 GPRESSAVG: 132600 47.2305 -0.125766 -13.1527 3.11288 -24.8784 33.1387 -13.1499 32.6447 6.81494 TIMING: 132600 CPU: 421.942, 0.00317591/step Wall: 421.942, 0.00317591/step, 4.29401 hours remaining, 231.113281 MB of memory in use. ENERGY: 132600 4036.5285 20614.6746 14478.2595 254.1449 -203051.0029 2241.3539 0.0000 0.0000 51698.3883 -109727.6533 297.1113 -161426.0416 -109379.5138 299.6847 -364.8151 -338.7472 759730.3493 9.7479 9.7224 PRESSURE: 132800 -67.7586 133.89 96.9459 133.89 182.307 4.77433 96.9455 4.7744 325.247 GPRESSURE: 132800 42.7465 86.7346 139.325 152.034 133.848 66.8179 65.6481 104.608 334.971 PRESSAVG: 132800 25.4614 -34.2833 22.6809 -34.2833 -22.1634 31.2286 22.6808 31.2286 -13.1991 GPRESSAVG: 132800 26.6797 -35.8881 21.6462 -35.0828 -24.3443 30.5334 24.4787 33.3283 -12.7089 TIMING: 132800 CPU: 422.58, 0.00318675/step Wall: 422.58, 0.00318675/step, 4.30849 hours remaining, 231.113281 MB of memory in use. ENERGY: 132800 3981.2236 20706.2125 14430.0910 238.1933 -203906.6417 2671.7532 0.0000 0.0000 52247.3446 -109631.8235 300.2662 -161879.1681 -109270.6528 298.9729 146.5985 170.5218 759168.0774 -3.3004 -3.4578 PRESSURE: 133000 -355.308 22.0982 -304.599 22.0985 143.791 138.87 -304.599 138.871 7.38166 GPRESSURE: 133000 -246.846 -53.6177 -275.702 -31.7088 177.389 144.668 -153.732 153.063 -52.755 PRESSAVG: 133000 36.8732 -29.3878 1.50893 -29.3879 8.15129 20.5031 1.50888 20.5032 -2.10258 GPRESSAVG: 133000 37.2092 -27.5502 2.48815 -29.6382 7.85544 23.6296 0.58508 18.1596 -1.98409 TIMING: 133000 CPU: 423.217, 0.00318548/step Wall: 423.217, 0.00318548/step, 4.30659 hours remaining, 231.113281 MB of memory in use. ENERGY: 133000 3955.3564 20645.9886 14518.7714 269.0799 -204107.6082 2690.6672 0.0000 0.0000 52416.0624 -109611.6823 301.2358 -162027.7447 -109242.7015 299.6397 -68.0449 -40.7373 760682.5154 14.3073 14.3602 PRESSURE: 133200 -25.3914 -186.271 202.53 -186.271 -15.7922 74.309 202.529 74.3092 46.6804 GPRESSURE: 133200 24.8878 -46.6209 147.345 -242.344 12.4962 68.2698 124.999 67.0538 42.923 PRESSAVG: 133200 0.533581 -48.8059 6.40294 -48.8059 14.9171 28.244 6.40294 28.244 -2.11726 GPRESSAVG: 133200 -0.414287 -45.3793 4.19211 -49.2559 15.7005 25.99 6.85577 30.9515 -0.827306 TIMING: 133200 CPU: 423.852, 0.00317632/step Wall: 423.852, 0.00317632/step, 4.29403 hours remaining, 231.113281 MB of memory in use. ENERGY: 133200 4004.7097 20606.7815 14527.8643 252.4589 -203303.8710 2268.2532 0.0000 0.0000 51938.0933 -109705.7100 298.4889 -161643.8033 -109343.6337 299.2001 1.8323 26.7690 759319.8549 4.4445 4.8196 PRESSURE: 133400 -230.874 42.8985 -6.55744 42.8982 -316.746 110.12 -6.55742 110.12 197.896 GPRESSURE: 133400 -225.058 2.49034 42.7865 -4.57034 -251.761 137.608 16.1832 40.9269 194.351 PRESSAVG: 133400 -22.8431 -60.2174 26.8971 -60.2174 39.8534 -21.2678 26.897 -21.2678 -10.2113 GPRESSAVG: 133400 -23.2706 -63.3114 29.1403 -59.1228 39.7302 -22.8931 26.958 -22.0749 -9.81002 TIMING: 133400 CPU: 424.495, 0.00321211/step Wall: 424.495, 0.00321211/step, 4.34224 hours remaining, 231.113281 MB of memory in use. ENERGY: 133400 4027.2127 20508.0200 14396.2067 237.8578 -203508.2767 2462.3589 0.0000 0.0000 52322.2393 -109554.3814 300.6966 -161876.6207 -109186.5176 299.3339 -116.5751 -94.1557 761014.1076 2.2663 2.2165 PRESSURE: 133600 172.962 137.877 106.413 137.877 415.28 -256.839 106.413 -256.838 162.668 GPRESSURE: 133600 204.309 103.466 112.623 91.2309 415.471 -294.452 113.928 -155.071 227.5 PRESSAVG: 133600 17.2546 -74.0501 6.62231 -74.0501 -62.9403 -12.3435 6.62231 -12.3435 9.18965 GPRESSAVG: 133600 17.8519 -74.5334 5.82488 -74.3202 -63.6349 -9.99567 5.85992 -12.9449 9.29804 TIMING: 133600 CPU: 425.133, 0.00319422/step Wall: 425.133, 0.00319422/step, 4.31787 hours remaining, 231.113281 MB of memory in use. ENERGY: 133600 3967.1158 20595.8289 14537.9853 232.8388 -203717.2895 2856.1062 0.0000 0.0000 51848.8923 -109678.5223 297.9763 -161527.4145 -109321.1715 298.7556 250.3034 282.4266 760826.5680 -12.1654 -12.1616 PRESSURE: 133800 -251.415 0.266426 -193.443 0.266059 124.032 52.9439 -193.442 52.9435 -40.2068 GPRESSURE: 133800 -238.439 -73.5876 -152.134 -10.8775 211.468 -14.1929 -84.6712 23.518 -47.3594 PRESSAVG: 133800 -22.5083 -13.6418 -1.82894 -13.6418 17.6751 -31.6337 -1.829 -31.6338 2.95464 GPRESSAVG: 133800 -22.5603 -12.5698 -0.351172 -14.9329 19.0029 -31.4802 -2.27617 -32.0418 2.24892 TIMING: 133800 CPU: 425.77, 0.00318176/step Wall: 425.77, 0.00318176/step, 4.30086 hours remaining, 231.113281 MB of memory in use. ENERGY: 133800 4008.2630 20512.3654 14447.9216 280.7374 -203333.3090 2548.4208 0.0000 0.0000 51645.2990 -109890.3018 296.8062 -161535.6008 -109525.5079 298.5872 -55.8632 -24.7767 759867.2512 -0.6262 -0.4361 PRESSURE: 134000 -328.896 17.6594 71.9961 17.6598 -196.311 24.2299 71.9964 24.23 200.303 GPRESSURE: 134000 -320.006 120.686 52.1072 26.5942 -166.141 -45.2979 -35.6349 101.447 259.556 PRESSAVG: 134000 -43.1187 -44.298 27.2984 -44.2981 34.8141 38.8886 27.2984 38.8886 16.1053 GPRESSAVG: 134000 -42.8566 -44.1456 26.4457 -44.0995 34.721 37.6598 27.7205 38.1374 16.3835 TIMING: 134000 CPU: 426.409, 0.00319715/step Wall: 426.409, 0.00319715/step, 4.32148 hours remaining, 231.113281 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: 134000 3972.6311 20648.9520 14465.5904 238.7423 -203261.2986 2326.3301 0.0000 0.0000 51881.1293 -109727.9233 298.1616 -161609.0526 -109352.8901 298.6034 -108.3012 -75.5303 762153.3518 2.6002 2.7493 PRESSURE: 134200 -171.585 -259.539 61.513 -259.538 -100.761 -55.6257 61.5117 -55.6257 -48.2008 GPRESSURE: 134200 -176.269 -115.989 5.83518 -183.771 -56.1918 17.1386 -23.9446 22.7873 -23.1663 PRESSAVG: 134200 -34.0733 -35.5528 9.53611 -35.5528 46.3588 81.9372 9.53609 81.9371 -2.02981 GPRESSAVG: 134200 -34.1875 -33.84 9.131 -35.4751 45.6733 83.4258 10.8782 80.6889 -1.29865 TIMING: 134200 CPU: 427.045, 0.00317847/step Wall: 427.045, 0.00317847/step, 4.29606 hours remaining, 231.113281 MB of memory in use. ENERGY: 134200 4003.0885 20587.3479 14525.9226 238.4203 -203454.4757 2278.4020 0.0000 0.0000 52019.9807 -109801.3136 298.9595 -161821.2944 -109435.7249 298.5604 -106.8489 -85.2089 759389.7770 3.4186 3.3957 PRESSURE: 134400 -232.159 -139.318 -19.7069 -139.319 19.272 -167.409 -19.7082 -167.41 -170.295 GPRESSURE: 134400 -175.05 -131.264 -46.7706 -98.1773 45.4449 -139.286 -94.6083 -153.504 -163.207 PRESSAVG: 134400 -67.9695 -51.213 24.8433 -51.2129 57.4865 -10.516 24.8433 -10.516 3.16595 GPRESSAVG: 134400 -67.3119 -53.0201 24.653 -52.2915 57.426 -10.0761 25.6031 -9.27451 2.84985 TIMING: 134400 CPU: 427.688, 0.00321668/step Wall: 427.688, 0.00321668/step, 4.34752 hours remaining, 231.113281 MB of memory in use. ENERGY: 134400 3994.4983 20531.2678 14454.5134 238.7141 -203451.3890 2510.6816 0.0000 0.0000 51923.8122 -109797.9016 298.4069 -161721.7138 -109443.8089 298.5206 -127.7274 -97.6041 760507.8767 -2.4390 -2.3453 PRESSURE: 134600 -138.692 10.9289 -145.495 10.9283 112.262 -10.6029 -145.493 -10.6031 -25.262 GPRESSURE: 134600 -75.1367 -11.414 -102.826 31.2384 110.335 -122.626 -223.352 113.985 -9.79955 PRESSAVG: 134600 -58.328 -37.1022 24.4538 -37.1022 48.6699 7.40255 24.4539 7.40256 -10.0348 GPRESSAVG: 134600 -58.0116 -36.8598 25.4388 -36.655 49.0217 6.47505 23.4758 9.97546 -10.6879 TIMING: 134600 CPU: 428.329, 0.00320455/step Wall: 428.329, 0.00320455/step, 4.33095 hours remaining, 231.113281 MB of memory in use. ENERGY: 134600 3959.6067 20473.3465 14445.5514 243.4269 -203461.6640 2492.6361 0.0000 0.0000 51932.4440 -109914.6523 298.4565 -161847.0963 -109546.7219 298.7280 -17.2307 8.4661 760597.4303 -6.5643 -6.5593 PRESSURE: 134800 -297.928 -207.561 -273.359 -207.562 113.636 -27.7023 -273.359 -27.703 371.191 GPRESSURE: 134800 -276.22 -263.135 -215.684 -80.1996 129.403 -81.8323 -213.937 -71.0564 429.798 PRESSAVG: 134800 -5.13355 -41.1095 -32.9963 -41.1094 -21.6818 37.8808 -32.9963 37.8809 27.2375 GPRESSAVG: 134800 -6.67244 -41.1002 -32.6716 -41.1321 -21.2375 38.2717 -32.6173 35.4638 27.7464 TIMING: 134800 CPU: 428.966, 0.00318429/step Wall: 428.966, 0.00318429/step, 4.30339 hours remaining, 231.113281 MB of memory in use. ENERGY: 134800 3932.5534 20500.9747 14444.4653 257.6016 -203725.8553 2519.6532 0.0000 0.0000 51914.3630 -110156.2441 298.3526 -162070.6071 -109786.2661 298.5764 62.2996 94.3268 760571.3985 0.1407 -0.0545 PRESSURE: 135000 -165.913 -171.301 163.413 -171.301 -149.364 -73.1239 163.413 -73.1237 -14.223 GPRESSURE: 135000 -26.1842 -58.9846 137.297 -225.296 -156.096 -120.683 58.6838 96.6119 -59.0083 PRESSAVG: 135000 -32.0761 -51.0548 -60.6997 -51.0548 3.95747 24.7558 -60.6997 24.7558 0.014896 GPRESSAVG: 135000 -31.0772 -53.1943 -61.9441 -49.6134 2.32737 23.451 -61.5039 26.0693 0.586981 TIMING: 135000 CPU: 429.605, 0.00319604/step Wall: 429.605, 0.00319604/step, 4.31909 hours remaining, 231.113281 MB of memory in use. ENERGY: 135000 3969.6486 20502.3029 14454.8036 242.9714 -203570.2258 2477.0235 0.0000 0.0000 52065.0554 -109858.4204 299.2186 -161923.4758 -109499.9751 298.4112 -109.8334 -80.4295 761739.8318 -9.3679 -9.3876 PRESSURE: 135200 -26.7929 -62.2236 -162.984 -62.2242 -32.9783 -0.853525 -162.984 -0.854778 -463.119 GPRESSURE: 135200 -35.478 -110.767 -161.122 -14.4416 112.224 -10.1204 -46.6568 -20.1075 -500.759 PRESSAVG: 135200 -39.3918 -30.9187 -46.8174 -30.9187 50.7236 34.6361 -46.8173 34.6361 0.875088 GPRESSAVG: 135200 -39.5649 -30.5146 -47.813 -30.5322 52.4812 35.4064 -47.4556 33.3119 -1.032 TIMING: 135200 CPU: 430.24, 0.00317308/step Wall: 430.24, 0.00317308/step, 4.28789 hours remaining, 231.113281 MB of memory in use. ENERGY: 135200 4039.8706 20572.5761 14465.9795 251.8448 -204266.7725 3058.0500 0.0000 0.0000 52104.3711 -109774.0805 299.4445 -161878.4516 -109410.7556 298.6021 -174.2969 -141.3377 760940.1195 4.0690 3.9615 PRESSURE: 135400 39.5027 -2.83642 -53.8789 -2.83717 61.7452 28.0918 -53.8789 28.0919 -154.845 GPRESSURE: 135400 71.6183 46.6136 -117.015 55.8585 109.086 70.401 -75.7899 30.2643 -147.89 PRESSAVG: 135400 -17.6652 -49.4461 -44.2751 -49.4461 13.5644 43.415 -44.2752 43.4151 -7.18714 GPRESSAVG: 135400 -17.7356 -48.3806 -42.6777 -50.7538 13.5228 44.4241 -43.3092 42.5464 -7.02821 TIMING: 135400 CPU: 430.874, 0.00316943/step Wall: 430.874, 0.00316943/step, 4.28278 hours remaining, 231.113281 MB of memory in use. ENERGY: 135400 3983.3412 20574.4604 14476.9287 249.3863 -203807.1871 2700.1946 0.0000 0.0000 51988.5338 -109834.3422 298.7788 -161822.8759 -109468.7008 298.6507 -17.8658 10.9380 759742.0601 -3.7627 -3.7470 PRESSURE: 135600 16.5212 -132.508 -78.5633 -132.507 -39.5187 99.2686 -78.5623 99.2677 -95.5396 GPRESSURE: 135600 68.7442 -260.197 -100.153 -167.895 16.5273 124.397 11.1322 79.4582 -141.538 PRESSAVG: 135600 -1.17602 -71.5008 -79.1196 -71.5008 -17.5843 49.4803 -79.1196 49.4802 3.75129 GPRESSAVG: 135600 0.0888298 -72.0372 -78.6637 -70.4707 -19.2057 48.7782 -79.1513 51.1009 3.97553 TIMING: 135600 CPU: 431.506, 0.00316288/step Wall: 431.506, 0.00316288/step, 4.27376 hours remaining, 231.113281 MB of memory in use. ENERGY: 135600 3970.9394 20485.4549 14526.8720 265.0696 -203724.9251 2532.4476 0.0000 0.0000 52030.8879 -109913.2537 299.0222 -161944.1416 -109552.3702 298.4863 -39.5124 -18.7554 760303.4688 -5.0030 -5.0471 PRESSURE: 135800 -150.181 237.623 39.1757 237.622 -242.261 -97.0516 39.1742 -97.0522 87.9199 GPRESSURE: 135800 -170.647 160.678 97.5128 40.3117 -111.364 -72.8194 90.8222 -176.204 62.9842 PRESSAVG: 135800 29.6407 -70.4264 -31.803 -70.4264 -42.2619 -14.8035 -31.803 -14.8035 47.0078 GPRESSAVG: 135800 28.2537 -70.8376 -31.4542 -71.6953 -40.0495 -14.3826 -34.4496 -15.1041 45.9025 TIMING: 135800 CPU: 432.144, 0.0031875/step Wall: 432.144, 0.0031875/step, 4.30684 hours remaining, 231.113281 MB of memory in use. ENERGY: 135800 4002.3044 20567.9799 14429.2763 234.9734 -203541.1678 2557.6186 0.0000 0.0000 51778.9183 -109970.0971 297.5742 -161749.0153 -109611.5709 298.5914 -101.5073 -73.0089 761941.6484 11.4622 11.3689 PRESSURE: 136000 -10.6227 54.9847 -144.534 54.985 -63.694 -71.22 -144.534 -71.2193 322.604 GPRESSURE: 136000 2.72446 -22.2546 -138.931 152.805 -54.4415 -50.1903 -141.8 -66.2707 392.427 PRESSAVG: 136000 27.7962 -37.2667 -27.7082 -37.2667 -14.0283 -42.129 -27.7082 -42.129 12.6435 GPRESSAVG: 136000 27.4724 -36.013 -29.3755 -37.0016 -15.6879 -41.0214 -23.6344 -42.8841 14.2825 TIMING: 136000 CPU: 432.784, 0.00320002/step Wall: 432.784, 0.00320002/step, 4.32358 hours remaining, 231.113281 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: 136000 3960.6338 20495.6380 14384.5002 228.6592 -203443.9844 2561.7653 0.0000 0.0000 51576.7996 -110235.9881 296.4126 -161812.7877 -109875.6455 298.2555 82.7624 113.5700 761034.8815 8.8038 8.6890 PRESSURE: 136200 118.347 166.401 14.246 166.402 134.826 -139.359 14.246 -139.358 -6.4949 GPRESSURE: 136200 172.616 156.373 66.9406 121.295 153.153 -196.864 -73.4324 4.39703 22.8052 PRESSAVG: 136200 -27.0653 -15.1233 4.25554 -15.1233 28.5565 4.82821 4.25556 4.82825 6.50763 GPRESSAVG: 136200 -27.2588 -16.5832 4.89938 -13.2802 28.3485 2.53977 1.94892 8.50894 6.89973 TIMING: 136200 CPU: 433.415, 0.00315837/step Wall: 433.415, 0.00315837/step, 4.26713 hours remaining, 231.113281 MB of memory in use. ENERGY: 136200 4017.3566 20587.6135 14462.2625 239.3313 -203850.8514 2588.4051 0.0000 0.0000 51801.0061 -110154.8763 297.7011 -161955.8824 -109795.5180 298.0914 82.2262 116.1912 758759.0162 2.6663 2.6631 LDB: ============= START OF LOAD BALANCING ============== 445.84 LDB: ============== END OF LOAD BALANCING =============== 445.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 445.842 LDB: ============= START OF LOAD BALANCING ============== 446.16 LDB: Largest compute 7033 load 0.036215 is 18.6% of average load 0.194635 LDB: Average compute 0.004416 is 2.3% of average load 0.194635 LDB: TIME 446.164 LOAD: AVG 0.194635 MAX 0.210326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.168 MB LDB: TIME 446.164 LOAD: AVG 0.194635 MAX 0.210326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.371 MB LDB: TIME 446.164 LOAD: AVG 0.194635 MAX 0.210326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.371 MB LDB: ============== END OF LOAD BALANCING =============== 446.166 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.171 PRESSURE: 136400 217.837 63.4735 102.368 63.4738 -58.3449 147.795 102.367 147.794 -254.735 GPRESSURE: 136400 198.55 49.151 111.587 -47.2505 68.1109 145.766 194.653 147.77 -274.573 PRESSAVG: 136400 -23.0656 -32.7378 -2.49518 -32.7378 13.9764 -16.6201 -2.49522 -16.62 5.97597 GPRESSAVG: 136400 -22.4653 -29.6441 -1.33278 -36.6474 15.0408 -14.604 -2.61513 -21.0527 4.08608 TIMING: 136400 CPU: 434.065, 0.00324779/step Wall: 434.065, 0.00324779/step, 4.38776 hours remaining, 229.539062 MB of memory in use. ENERGY: 136400 3978.1659 20330.4532 14442.4262 241.8296 -203542.7457 2676.8453 0.0000 0.0000 51850.3474 -110022.6782 297.9847 -161873.0256 -109656.4530 298.0587 -31.7477 -2.6373 760127.8786 -1.0377 -1.1128 PRESSURE: 136600 -206.015 -30.8493 137.93 -30.8489 -283.767 33.6553 137.931 33.6558 -8.11834 GPRESSURE: 136600 -214.725 -26.8985 121.768 4.65595 -259.792 85.659 185.407 61.1809 42.4343 PRESSAVG: 136600 -13.4691 -58.0185 5.03683 -58.0185 17.6392 18.1428 5.03681 18.1428 1.68251 GPRESSAVG: 136600 -13.5375 -58.8985 5.65334 -56.3118 16.0371 18.5976 6.84358 19.7063 3.01872 TIMING: 136600 CPU: 434.703, 0.00319103/step Wall: 434.703, 0.00319103/step, 4.3109 hours remaining, 229.742188 MB of memory in use. ENERGY: 136600 4001.6283 20585.6444 14430.7370 249.5309 -203317.9376 2328.9580 0.0000 0.0000 51866.9864 -109854.4525 298.0803 -161721.4389 -109494.5551 299.0188 -165.9667 -144.0276 758976.9079 1.9509 1.8394 PRESSURE: 136800 -222.962 71.4484 55.8579 71.4478 32.9084 -97.1294 55.8584 -97.1289 63.3214 GPRESSURE: 136800 -233.734 76.4448 137.069 166.675 110.429 26.6062 86.8864 -128.916 79.0267 PRESSAVG: 136800 16.0623 -10.4746 21.6399 -10.4746 -27.9095 47.2642 21.6399 47.2641 -5.62672 GPRESSAVG: 136800 16.2682 -10.5087 21.79 -9.82824 -26.3781 46.5399 20.4426 48.1382 -7.04222 TIMING: 136800 CPU: 435.339, 0.00317634/step Wall: 435.339, 0.00317634/step, 4.29089 hours remaining, 229.742188 MB of memory in use. ENERGY: 136800 3962.6984 20599.1330 14474.7852 238.8811 -203387.7280 2188.2352 0.0000 0.0000 52303.5913 -109620.4039 300.5895 -161923.9952 -109243.6580 299.1892 -42.2441 -14.7596 759707.9773 -5.8246 -5.7174 PRESSURE: 137000 -270.878 -57.72 -76.3184 -57.7199 39.2611 -112.662 -76.3191 -112.662 -154.005 GPRESSURE: 137000 -244.345 -45.7896 -116.055 -98.302 28.6682 -162.119 -84.7616 6.91394 -94.0543 PRESSAVG: 137000 -6.68917 -22.4088 -0.852611 -22.4088 41.5575 -14.0251 -0.8526 -14.0251 3.67486 GPRESSAVG: 137000 -7.45164 -24.6124 -2.37743 -21.6479 40.9657 -13.9994 -0.367444 -13.0057 4.70392 TIMING: 137000 CPU: 435.973, 0.00317294/step Wall: 435.973, 0.00317294/step, 4.28611 hours remaining, 229.742188 MB of memory in use. ENERGY: 137000 4040.5382 20487.4901 14507.4789 254.2509 -203506.1091 2478.9866 0.0000 0.0000 52159.5378 -109577.8265 299.7616 -161737.3644 -109213.1340 299.6501 -128.5407 -103.2436 760913.4872 12.8477 12.7393 PRESSURE: 137200 150.071 65.0978 -19.1324 65.0983 -75.0497 -86.6526 -19.1317 -86.6522 -5.15987 GPRESSURE: 137200 71.7592 173.521 -74.3914 89.3293 61.8467 -129.751 -35.3297 8.58927 21.9055 PRESSAVG: 137200 0.844398 -54.1658 4.63184 -54.1658 26.7063 17.9688 4.63183 17.9688 0.953238 GPRESSAVG: 137200 1.28821 -52.7381 4.36315 -54.2476 26.7436 17.4525 4.77888 18.0866 0.484219 TIMING: 137200 CPU: 436.612, 0.00319463/step Wall: 436.612, 0.00319463/step, 4.31523 hours remaining, 229.742188 MB of memory in use. ENERGY: 137200 4011.2426 20653.4209 14488.0446 243.7932 -203617.0710 2613.8205 0.0000 0.0000 52208.1441 -109398.6050 300.0409 -161606.7492 -109029.3081 299.8489 23.2871 51.8371 760230.3104 9.5013 9.5053 PRESSURE: 137400 -73.4987 -12.5114 267.045 -12.5111 6.79523 137.708 267.044 137.708 -296.631 GPRESSURE: 137400 56.9086 -76.7912 282.454 -67.5552 -51.7682 95.6763 249.589 146.211 -288.452 PRESSAVG: 137400 -1.274 14.9929 26.0281 14.993 21.9834 47.8438 26.0281 47.8438 12.7417 GPRESSAVG: 137400 -0.799663 14.7111 26.1343 15.1446 20.8412 48.285 25.4544 46.5263 13.8265 TIMING: 137400 CPU: 437.248, 0.00317998/step Wall: 437.248, 0.00317998/step, 4.29526 hours remaining, 229.742188 MB of memory in use. ENERGY: 137400 3967.2394 20609.6803 14462.0983 242.0828 -203054.5314 2396.4742 0.0000 0.0000 51675.8250 -109701.1315 296.9817 -161376.9565 -109348.9913 299.1003 -121.1113 -94.4373 760940.3708 11.1504 11.2894 PRESSURE: 137600 210.675 -36.8806 -15.1205 -36.8802 -138.552 15.8273 -15.1208 15.8272 -246.207 GPRESSURE: 137600 236.396 -99.596 -11.4869 -75.3364 -120.757 -42.6242 -18.8303 -47.1901 -192.569 PRESSAVG: 137600 11.3602 -50.4947 -14.3158 -50.4947 2.70235 19.1695 -14.3158 19.1695 17.7308 GPRESSAVG: 137600 12.1506 -51.4669 -13.8956 -52.0344 2.38555 18.6536 -15.1024 19.5052 17.3617 TIMING: 137600 CPU: 437.88, 0.00315998/step Wall: 437.88, 0.00315998/step, 4.26808 hours remaining, 229.742188 MB of memory in use. ENERGY: 137600 3948.9543 20505.5954 14445.0420 242.2979 -203716.0791 2670.3694 0.0000 0.0000 51906.6125 -109997.2077 298.3080 -161903.8202 -109629.3247 298.4163 -58.0279 -25.6431 758994.2667 10.5978 10.6326 PRESSURE: 137800 -91.9118 -13.8845 14.1141 -13.8836 16.1104 -248.646 14.1147 -248.647 148.597 GPRESSURE: 137800 -122.085 94.7341 -5.61354 -141.254 120.738 -138.172 86.9592 -132.151 170.686 PRESSAVG: 137800 -18.8915 -46.6074 -24.5295 -46.6074 15.7387 21.5409 -24.5296 21.5409 -0.833752 GPRESSAVG: 137800 -19.707 -44.1099 -25.1944 -48.4524 17.2444 23.5888 -27.788 21.9187 -1.55282 TIMING: 137800 CPU: 438.511, 0.00315339/step Wall: 438.511, 0.00315339/step, 4.25901 hours remaining, 229.742188 MB of memory in use. ENERGY: 137800 4040.2399 20618.2887 14439.0019 275.5137 -204278.2953 2864.4445 0.0000 0.0000 52033.6380 -110007.1686 299.0380 -162040.8067 -109647.3859 298.0824 24.2650 56.4463 759852.0974 -1.3289 -1.3385 PRESSURE: 138000 -61.2285 162.535 -132.525 162.534 -183.11 -27.5153 -132.525 -27.5154 -115.046 GPRESSURE: 138000 -49.8432 60.6435 -136.848 161.356 -182.813 13.5962 -35.8148 107.653 -73.0609 PRESSAVG: 138000 -44.8776 8.6896 -32.052 8.68959 12.5281 53.5964 -32.0519 53.5964 -5.69004 GPRESSAVG: 138000 -44.1543 6.6843 -31.2464 10.9015 11.6298 51.3234 -27.7235 54.3104 -5.64634 TIMING: 138000 CPU: 439.144, 0.00316432/step Wall: 439.144, 0.00316432/step, 4.27359 hours remaining, 229.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 3988.6512 20397.7125 14499.7885 240.2246 -203432.6277 2310.0999 0.0000 0.0000 51936.9460 -110059.2050 298.4823 -161996.1509 -109690.6814 297.9742 -119.7947 -101.9059 759853.9187 -12.6798 -12.7236 PRESSURE: 138200 13.4989 -79.4442 -60.3716 -79.4438 151.544 131.386 -60.371 131.387 26.3255 GPRESSURE: 138200 -43.1903 -10.5731 -11.1834 -61.6896 251.901 82.0566 -50.2744 143.476 52.4548 PRESSAVG: 138200 -22.7544 -41.0447 22.3077 -41.0447 14.2805 0.992338 22.3077 0.992335 16.6589 GPRESSAVG: 138200 -23.1536 -39.4717 20.9362 -41.9671 14.953 -0.305199 21.0686 2.75025 17.0395 TIMING: 138200 CPU: 439.776, 0.00316411/step Wall: 439.776, 0.00316411/step, 4.27314 hours remaining, 229.742188 MB of memory in use. ENERGY: 138200 4037.2517 20475.6124 14455.4314 238.4905 -204158.8734 2914.1472 0.0000 0.0000 52070.9349 -109967.0053 299.2524 -162037.9402 -109610.4417 298.3309 63.7896 87.0551 758475.5092 2.7283 2.9463 PRESSURE: 138400 -58.665 -6.18607 41.6471 -6.18652 -248.991 99.4164 41.6469 99.4152 -170.551 GPRESSURE: 138400 -66.1772 42.1255 -28.4118 108.16 -153.765 54.7231 36.0545 19.2853 -178.075 PRESSAVG: 138400 -70.7169 -48.8511 -12.8083 -48.8511 50.3632 59.6448 -12.8082 59.6448 -11.3678 GPRESSAVG: 138400 -70.0844 -46.3305 -12.5514 -49.4884 50.2907 61.2888 -11.9309 57.0639 -12.0618 TIMING: 138400 CPU: 440.414, 0.00318843/step Wall: 440.414, 0.00318843/step, 4.30579 hours remaining, 229.742188 MB of memory in use. ENERGY: 138400 3982.5151 20569.0655 14429.7987 232.8385 -203112.7873 2189.0587 0.0000 0.0000 51767.5496 -109941.9612 297.5088 -161709.5108 -109575.3241 298.2592 -159.4024 -132.6723 759631.6233 -10.5738 -10.6185 PRESSURE: 138600 -374.871 -114.498 -72.5674 -114.497 -244.626 -131.59 -72.5673 -131.589 -266.729 GPRESSURE: 138600 -355.487 -148.834 -59.0596 -123.435 -191.98 -169.587 -49.8531 -93.5557 -226.982 PRESSAVG: 138600 -13.4887 -84.6353 31.2492 -84.6353 -20.406 -35.6178 31.2493 -35.6178 -0.770135 GPRESSAVG: 138600 -14.6152 -86.7386 31.5636 -83.6009 -20.6972 -36.0023 32.7829 -33.1879 0.545141 TIMING: 138600 CPU: 441.052, 0.00319193/step Wall: 441.052, 0.00319193/step, 4.31035 hours remaining, 229.742188 MB of memory in use. ENERGY: 138600 3977.7877 20610.1531 14481.6918 234.6473 -203181.1293 2277.0996 0.0000 0.0000 51712.9752 -109886.7746 297.1952 -161599.7498 -109531.6772 298.7980 -295.4085 -258.1497 760180.0666 -11.5549 -11.5891 PRESSURE: 138800 -252.781 -10.6308 -34.9354 -10.6311 -265.408 -4.08359 -34.9346 -4.08384 -140.693 GPRESSURE: 138800 -200.214 -6.2494 -36.5937 62.0752 -213.405 -24.6871 -84.5658 98.2393 -150.058 PRESSAVG: 138800 -30.1701 -39.0227 -3.28241 -39.0227 21.6922 -34.1143 -3.2824 -34.1144 -14.8848 GPRESSAVG: 138800 -30.3537 -39.0592 -3.79869 -38.5566 21.5027 -34.0645 -5.88453 -35.2707 -14.4909 TIMING: 138800 CPU: 441.685, 0.00316385/step Wall: 441.685, 0.00316385/step, 4.27225 hours remaining, 229.742188 MB of memory in use. ENERGY: 138800 4006.9810 20543.4087 14415.4235 232.7702 -203187.2409 2159.4943 0.0000 0.0000 51763.3446 -110065.8186 297.4847 -161829.1631 -109700.3930 298.8168 -219.6274 -187.8924 760340.2523 -7.7875 -7.7807 PRESSURE: 139000 -224.077 -263.274 -98.8176 -263.274 174.723 226.746 -98.8173 226.746 -56.7828 GPRESSURE: 139000 -188.432 -153.813 -95.3789 -204.789 96.7298 247.04 54.2332 192.542 54.8128 PRESSAVG: 139000 7.23415 -11.1524 47.639 -11.1524 -6.36116 -0.858665 47.639 -0.858658 28.8311 GPRESSAVG: 139000 8.10274 -9.59647 46.3687 -13.8848 -7.20815 -1.13561 51.3463 -0.544682 28.5378 TIMING: 139000 CPU: 442.321, 0.00317694/step Wall: 442.321, 0.00317694/step, 4.28975 hours remaining, 229.742188 MB of memory in use. ENERGY: 139000 3980.6151 20493.1840 14476.7358 252.4402 -203859.3318 2611.1870 0.0000 0.0000 51743.5219 -110301.6478 297.3707 -162045.1697 -109941.9214 297.8020 -35.3789 -12.2965 759628.8261 9.9014 9.8108 PRESSURE: 139200 -185.903 67.2384 -8.84658 67.2388 -280.569 -288.519 -8.84677 -288.519 174.845 GPRESSURE: 139200 -182.584 67.0832 -31.8176 74.533 -172.666 -281.706 -11.7204 -182.239 146.38 PRESSAVG: 139200 26.9046 -5.50909 24.6357 -5.50913 -31.6761 33.509 24.6356 33.509 7.33315 GPRESSAVG: 139200 27.1342 -6.56488 26.5256 -3.42989 -29.5179 32.5906 22.9065 32.8791 5.5119 TIMING: 139200 CPU: 442.95, 0.00314866/step Wall: 442.95, 0.00314866/step, 4.25139 hours remaining, 229.742188 MB of memory in use. ENERGY: 139200 3867.5675 20526.4620 14482.3422 241.5764 -203590.1240 2274.5072 0.0000 0.0000 51967.8423 -110229.8264 298.6599 -162197.6687 -109874.3115 297.8823 -97.2091 -69.6235 760979.1797 0.8539 1.0427 PRESSURE: 139400 23.5443 121.991 74.5208 121.991 -33.7115 -116.75 74.5207 -116.751 307.342 GPRESSURE: 139400 91.6733 85.2477 88.7486 109.693 -32.3841 -120.793 14.0599 -249.676 332.324 PRESSAVG: 139400 -20.2008 -7.20773 -16.0043 -7.2077 -11.8472 -12.4065 -16.0043 -12.4066 -2.69685 GPRESSAVG: 139400 -20.2284 -6.01818 -15.865 -5.85755 -12.6626 -11.0293 -16.1257 -11.8107 -1.97701 TIMING: 139400 CPU: 443.582, 0.00315636/step Wall: 443.582, 0.00315636/step, 4.26161 hours remaining, 229.742188 MB of memory in use. ENERGY: 139400 3960.1252 20409.1645 14497.0278 262.9606 -203477.6665 2497.8925 0.0000 0.0000 51676.8716 -110173.6243 296.9877 -161850.4959 -109816.8221 298.0691 99.0582 130.5378 760324.9504 -11.5816 -11.6227 PRESSURE: 139600 180.145 -134.193 8.0778 -134.193 -345.263 258.665 8.07738 258.665 483.235 GPRESSURE: 139600 179.215 -140.951 54.9515 -121.508 -253.429 294.976 -50.7195 215.408 460.205 PRESSAVG: 139600 36.9566 -8.25765 -41.2357 -8.25773 -17.6683 27.1657 -41.2357 27.1657 -22.7894 GPRESSAVG: 139600 37.43 -9.59487 -41.9101 -9.68606 -19.0416 26.1898 -41.6834 24.8409 -21.9301 TIMING: 139600 CPU: 444.214, 0.00316375/step Wall: 444.214, 0.00316375/step, 4.27141 hours remaining, 229.742188 MB of memory in use. ENERGY: 139600 3960.1302 20489.7658 14452.5630 234.7658 -204092.6645 2856.8460 0.0000 0.0000 52094.1709 -110004.4228 299.3859 -162098.5937 -109636.3051 297.9204 106.0391 128.6635 758742.0846 -1.1671 -1.1806 PRESSURE: 139800 256.951 -32.4587 -299.573 -32.4586 -282.356 45.0707 -299.573 45.0707 160.29 GPRESSURE: 139800 226.811 -166.627 -223.62 -41.1533 -153.367 142.637 -289.317 29.5428 148.916 PRESSAVG: 139800 35.2465 -16.4918 -37.3216 -16.4917 -32.7627 36.9258 -37.3215 36.9257 -18.5815 GPRESSAVG: 139800 34.6659 -17.8279 -38.1859 -14.9735 -32.3746 38.572 -35.9139 37.5831 -17.9112 TIMING: 139800 CPU: 444.849, 0.00317356/step Wall: 444.849, 0.00317356/step, 4.28448 hours remaining, 229.742188 MB of memory in use. ENERGY: 139800 3859.6169 20629.4168 14505.2666 252.1346 -203268.9101 2212.5176 0.0000 0.0000 51755.8052 -110054.1523 297.4413 -161809.9575 -109685.2997 298.4143 44.9617 74.1202 760766.2251 -5.3659 -5.2066 PRESSURE: 140000 17.8206 -192.376 -85.1015 -192.376 -68.5343 -21.0407 -85.1014 -21.0397 -476.403 GPRESSURE: 140000 -11.3417 -176.72 -144.199 -59.2332 -2.88744 57.5229 -42.0128 -52.4405 -407.102 PRESSAVG: 140000 41.4967 -35.8807 -10.5949 -35.8807 -72.1275 3.06441 -10.595 3.06441 13.6297 GPRESSAVG: 140000 42.245 -35.1202 -11.4725 -34.5947 -70.8692 3.17623 -10.7476 5.17838 12.0202 TIMING: 140000 CPU: 445.478, 0.00314606/step Wall: 445.478, 0.00314606/step, 4.24718 hours remaining, 229.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 3975.9968 20521.6316 14453.1909 232.0689 -203328.3235 2328.0879 0.0000 0.0000 51855.3438 -109962.0037 298.0134 -161817.3475 -109600.1433 298.3719 -175.7055 -140.4439 761091.0068 -5.6670 -5.5347 PRESSURE: 140200 311.801 -112.177 345.698 -112.178 -4.34977 -52.7631 345.699 -52.7625 391.016 GPRESSURE: 140200 405.34 -112.928 287.377 -64.7308 19.6324 -20.3322 314.766 -164.881 373.406 PRESSAVG: 140200 56.9352 -5.93858 -21.3926 -5.93863 -70.3939 -28.4564 -21.3926 -28.4564 3.91448 GPRESSAVG: 140200 55.6255 -3.9812 -19.9709 -8.47743 -69.1485 -28.8714 -20.118 -27.7874 4.1652 TIMING: 140200 CPU: 446.107, 0.00314209/step Wall: 446.107, 0.00314209/step, 4.24164 hours remaining, 229.742188 MB of memory in use. ENERGY: 140200 3951.3019 20621.5494 14441.4603 249.9169 -203452.6228 2416.1421 0.0000 0.0000 51904.5682 -109867.6840 298.2963 -161772.2522 -109513.4648 298.8236 232.8225 266.1260 759770.5751 -3.1814 -3.1192 LDB: ============= START OF LOAD BALANCING ============== 458.529 LDB: ============== END OF LOAD BALANCING =============== 458.529 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 458.531 LDB: ============= START OF LOAD BALANCING ============== 458.847 LDB: Largest compute 7065 load 0.033376 is 17.1% of average load 0.194766 LDB: Average compute 0.004376 is 2.2% of average load 0.194766 LDB: TIME 458.851 LOAD: AVG 0.194766 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.25 MB LDB: TIME 458.851 LOAD: AVG 0.194766 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.25 MB LDB: TIME 458.851 LOAD: AVG 0.194766 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.25 MB LDB: ============== END OF LOAD BALANCING =============== 458.853 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 458.857 PRESSURE: 140400 120.905 97.1697 -28.616 97.1692 -122.827 -34.8753 -28.615 -34.8753 -289.894 GPRESSURE: 140400 109.319 -12.4618 -92.6313 77.3951 -93.0509 5.78503 -101.3 7.27229 -216.476 PRESSAVG: 140400 -19.1589 13.8449 -16.7905 13.845 6.60534 31.3059 -16.7904 31.3059 11.65 GPRESSAVG: 140400 -18.3599 12.6482 -17.6512 15.8396 5.54376 30.6667 -17.8458 29.0455 12.0159 TIMING: 140400 CPU: 446.751, 0.0032234/step Wall: 446.751, 0.0032234/step, 4.35124 hours remaining, 229.843750 MB of memory in use. ENERGY: 140400 3938.7331 20571.6754 14499.2326 257.2933 -203324.1701 2475.0592 0.0000 0.0000 51817.4576 -109764.7190 297.7956 -161582.1766 -109403.1017 299.1615 -97.2721 -66.7359 760037.2986 -0.3012 -0.2667 PRESSURE: 140600 2.57386 289.07 -42.7104 289.07 191.164 -112.668 -42.71 -112.668 79.9571 GPRESSURE: 140600 92.7804 372.6 5.87471 129.381 199.596 -142.59 -122.502 -88.1377 49.0265 PRESSAVG: 140600 66.7309 -4.68588 11.3757 -4.68583 -54.1343 -5.68233 11.3758 -5.68229 3.76538 GPRESSAVG: 140600 66.9643 -4.03016 10.1549 -6.52204 -55.1656 -3.76258 11.4167 -6.02953 4.80207 TIMING: 140600 CPU: 447.382, 0.00315151/step Wall: 447.382, 0.00315151/step, 4.25401 hours remaining, 230.046875 MB of memory in use. ENERGY: 140600 3984.0968 20509.8838 14517.4437 228.7488 -203834.3713 2548.8462 0.0000 0.0000 52056.5275 -109988.8246 299.1696 -162045.3521 -109629.6234 298.8345 91.2317 113.8010 758266.7359 5.4540 5.5336 PRESSURE: 140800 122.047 -226.167 -51.1866 -226.167 -97.549 46.5895 -51.1869 46.5884 169.117 GPRESSURE: 140800 158.652 -130.588 -46.5927 -176.491 -81.3009 107.455 -29.5464 47.6761 197.257 PRESSAVG: 140800 60.9563 -36.4321 8.17595 -36.432 -41.4484 -18.6856 8.17602 -18.6856 23.6427 GPRESSAVG: 140800 60.3804 -36.5285 10.7788 -36.2494 -40.7293 -20.0684 7.23461 -18.5847 23.1706 TIMING: 140800 CPU: 448.011, 0.003148/step Wall: 448.011, 0.003148/step, 4.24911 hours remaining, 230.046875 MB of memory in use. ENERGY: 140800 3978.6175 20362.8692 14499.9731 231.7378 -203577.5007 2522.1975 0.0000 0.0000 51988.4331 -109993.6725 298.7782 -161982.1056 -109625.5296 298.3586 64.5384 91.5360 759695.7790 14.3835 14.2739 PRESSURE: 141000 254.5 42.0763 158.177 42.0761 41.7937 -162.115 158.177 -162.116 308.441 GPRESSURE: 141000 274.395 -12.5589 156.724 69.3772 163.104 -215.164 244.006 -177.666 258.317 PRESSAVG: 141000 -15.4324 -8.19365 35.1819 -8.19368 3.88218 6.86829 35.1818 6.86826 -8.245 GPRESSAVG: 141000 -14.8946 -8.44627 35.9281 -7.47451 4.34081 7.02556 35.6882 9.50369 -8.98038 TIMING: 141000 CPU: 448.636, 0.00312387/step Wall: 448.636, 0.00312387/step, 4.21636 hours remaining, 230.046875 MB of memory in use. ENERGY: 141000 4003.8434 20603.0170 14471.5218 256.5206 -203999.9701 2947.8002 0.0000 0.0000 51874.3177 -109842.9496 298.1224 -161717.2673 -109481.5644 298.4267 201.5783 231.9388 760686.7724 -6.5984 -6.5114 PRESSURE: 141200 -23.3814 -18.82 -232.352 -18.8206 144.406 3.85586 -232.352 3.85608 -19.1578 GPRESSURE: 141200 35.4009 -52.7893 -233.396 104.96 149.195 -21.595 -232.636 -67.2235 14.6269 PRESSAVG: 141200 50.0541 -34.7203 -16.2191 -34.7203 29.0066 -25.0436 -16.2191 -25.0436 11.1073 GPRESSAVG: 141200 49.0561 -36.2481 -16.5347 -36.3145 28.699 -24.6581 -18.4398 -27.6885 12.7485 TIMING: 141200 CPU: 449.262, 0.00313112/step Wall: 449.262, 0.00313112/step, 4.22597 hours remaining, 230.046875 MB of memory in use. ENERGY: 141200 3982.4671 20469.0177 14556.6451 232.3020 -203560.4985 2836.3389 0.0000 0.0000 51777.5581 -109706.1695 297.5663 -161483.7277 -109359.8307 298.7164 33.9556 66.4076 761497.2384 30.0560 30.1679 PRESSURE: 141400 131.442 -158.641 -245.823 -158.64 -239.427 104.088 -245.823 104.088 -74.2972 GPRESSURE: 141400 202.506 -124.766 -119.866 -190.848 -264.18 222.027 -154.481 21.9335 -37.5108 PRESSAVG: 141400 -26.1291 40.5126 -30.7159 40.5126 -49.2709 -34.861 -30.7159 -34.8609 -5.68836 GPRESSAVG: 141400 -25.4123 41.2656 -30.716 41.3797 -49.8734 -34.4872 -27.8093 -34.6537 -5.92995 TIMING: 141400 CPU: 449.891, 0.00314363/step Wall: 449.891, 0.00314363/step, 4.24268 hours remaining, 230.046875 MB of memory in use. ENERGY: 141400 3960.8308 20572.6850 14503.5168 255.2716 -203305.9304 2566.8675 0.0000 0.0000 51767.5862 -109679.1724 297.5090 -161446.7586 -109329.9289 298.7695 -60.7607 -33.0615 762865.1288 -27.0295 -27.0719 PRESSURE: 141600 28.3716 52.2765 40.954 52.2764 -149.446 -294.938 40.9539 -294.937 -86.2861 GPRESSURE: 141600 81.8157 -62.6195 101.074 160.343 -74.6356 -275.332 -111.426 -177.35 -106.343 PRESSAVG: 141600 40.436 -34.4706 9.10555 -34.4706 9.94887 -23.7496 9.10555 -23.7496 8.8238 GPRESSAVG: 141600 40.9707 -35.6817 7.90277 -33.1675 9.30398 -23.2731 7.04028 -22.5444 9.18068 TIMING: 141600 CPU: 450.52, 0.00314623/step Wall: 450.52, 0.00314623/step, 4.24601 hours remaining, 230.046875 MB of memory in use. ENERGY: 141600 4041.3747 20403.2721 14553.6520 234.5544 -203636.6172 2811.0768 0.0000 0.0000 51828.2753 -109764.4119 297.8578 -161592.6872 -109401.1986 298.1889 -69.1203 -33.0542 762779.3963 19.7362 19.8185 PRESSURE: 141800 -4.63757 -99.8736 88.6347 -99.8738 174.829 -218.231 88.6346 -218.23 -393.22 GPRESSURE: 141800 80.2142 -145.314 99.7008 -90.9639 114.446 -225.607 105.734 -185.579 -336.355 PRESSAVG: 141800 26.9919 -12.2802 -15.2587 -12.2801 -8.91169 7.50098 -15.2587 7.50105 -12.4657 GPRESSAVG: 141800 27.8767 -10.2718 -14.3484 -13.9923 -8.62638 4.22037 -13.208 8.25473 -13.2429 TIMING: 141800 CPU: 451.147, 0.00313589/step Wall: 451.147, 0.00313589/step, 4.23188 hours remaining, 230.046875 MB of memory in use. ENERGY: 141800 3949.7847 20597.7196 14495.6743 242.4668 -203352.1720 2480.0732 0.0000 0.0000 51927.6919 -109658.7616 298.4292 -161586.4534 -109304.6104 298.4967 -74.3429 -47.2317 761479.5637 1.8715 2.0025 PRESSURE: 142000 -134.518 72.9467 -189.488 72.9462 328.837 212.483 -189.489 212.484 145.242 GPRESSURE: 142000 -53.0766 18.416 -170.649 140.758 350.047 216.339 -164.826 102.988 139.598 PRESSAVG: 142000 5.58329 29.8723 15.983 29.8723 24.4921 17.2623 15.983 17.2624 2.94167 GPRESSAVG: 142000 4.75889 28.804 15.0658 29.0734 25.0346 18.7258 15.601 15.4617 3.07205 TIMING: 142000 CPU: 451.776, 0.00314034/step Wall: 451.776, 0.00314034/step, 4.23771 hours remaining, 230.046875 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: 142000 3946.4010 20517.2870 14544.9702 231.6190 -203926.3296 2705.4101 0.0000 0.0000 52028.2243 -109952.4180 299.0069 -161980.6423 -109599.4073 298.6171 113.1869 145.5230 761523.2297 11.0057 10.9552 PRESSURE: 142200 55.2773 74.1619 -157.852 74.1609 12.797 175.024 -157.852 175.024 -322.248 GPRESSURE: 142200 57.2754 56.7719 -63.9437 128.591 74.4963 208.923 -180.866 46.8461 -287.063 PRESSAVG: 142200 51.6827 -0.828145 0.546827 -0.828147 -22.2448 -24.2904 0.546817 -24.2904 9.28046 GPRESSAVG: 142200 51.0013 -0.293494 2.96841 -0.170121 -20.6164 -23.8598 -0.148773 -24.6294 9.17325 TIMING: 142200 CPU: 452.403, 0.00313621/step Wall: 452.403, 0.00313621/step, 4.23197 hours remaining, 230.046875 MB of memory in use. ENERGY: 142200 4066.9117 20458.8752 14459.0596 243.7725 -203693.7095 2760.1452 0.0000 0.0000 51726.5328 -109978.4125 297.2731 -161704.9453 -109618.6557 298.3934 -84.7247 -51.7637 761172.4308 12.9061 13.1860 PRESSURE: 142400 50.1898 -63.5254 -175.201 -63.5258 -114.556 89.2132 -175.201 89.2136 -216.558 GPRESSURE: 142400 19.5543 -35.9099 -114.591 -182.602 -2.4617 87.6247 -113.938 -11.2546 -210.662 PRESSAVG: 142400 41.3777 -40.9295 13.9601 -40.9295 -30.6601 -16.236 13.9601 -16.2359 -9.00322 GPRESSAVG: 142400 42.8757 -41.5117 12.2041 -40.4653 -32.1387 -16.1267 13.3326 -15.0129 -8.82419 TIMING: 142400 CPU: 453.029, 0.00313122/step Wall: 453.029, 0.00313122/step, 4.22507 hours remaining, 230.046875 MB of memory in use. ENERGY: 142400 4031.9102 20336.0826 14497.2799 244.3862 -203722.3598 2695.5756 0.0000 0.0000 52090.5308 -109826.5946 299.3650 -161917.1254 -109462.9748 298.3699 -93.6416 -64.5231 761112.7892 0.5715 0.6376 PRESSURE: 142600 -150.144 -243.328 -158.147 -243.328 -8.64005 -434.235 -158.147 -434.234 314.938 GPRESSURE: 142600 -189.426 -141.105 -214.766 -164.726 132.483 -333.99 -152.66 -476.051 294.77 PRESSAVG: 142600 -30.8895 -32.1628 -0.829963 -32.1628 50.2996 53.5298 -0.829933 53.5299 4.88678 GPRESSAVG: 142600 -31.0831 -29.4621 -0.128594 -31.8569 50.6489 54.01 -0.599777 53.2415 5.35901 TIMING: 142600 CPU: 453.655, 0.00312973/step Wall: 453.655, 0.00312973/step, 4.22288 hours remaining, 230.046875 MB of memory in use. ENERGY: 142600 3937.2147 20592.7428 14424.4307 252.2375 -203635.1186 2701.0875 0.0000 0.0000 52076.0991 -109651.3063 299.2821 -161727.4054 -109287.9363 299.4817 52.0514 79.2756 760603.8169 8.0990 8.3083 PRESSURE: 142800 -153.513 -270.328 -69.1408 -270.329 -63.7954 249.899 -69.1418 249.9 -253.385 GPRESSURE: 142800 -138.395 -216.079 -172.125 -144.973 15.1441 283.145 -103.359 73.5973 -270.746 PRESSAVG: 142800 -17.3512 -16.7022 -7.35989 -16.7022 46.4125 14.8715 -7.3599 14.8715 -21.1333 GPRESSAVG: 142800 -18.9008 -18.3091 -9.65981 -15.759 46.6953 14.6667 -4.76304 14.9669 -20.1331 TIMING: 142800 CPU: 454.279, 0.00312031/step Wall: 454.279, 0.00312031/step, 4.20999 hours remaining, 230.046875 MB of memory in use. ENERGY: 142800 3888.6940 20719.5086 14526.9987 254.1544 -203791.1325 2576.3550 0.0000 0.0000 52149.8496 -109675.5723 299.7059 -161825.4219 -109304.8123 299.0232 -156.8979 -131.3322 760835.1692 2.6426 2.5538 PRESSURE: 143000 -6.25488 -49.8516 142.828 -49.8518 65.0517 195.179 142.828 195.178 249.878 GPRESSURE: 143000 49.7764 -118.908 176.64 -119.757 127.466 71.6789 64.6222 106.526 223.648 PRESSAVG: 143000 -3.31632 -5.69511 -42.9811 -5.69515 2.48868 -14.6355 -42.9811 -14.6355 -0.544834 GPRESSAVG: 143000 -2.43615 -7.68693 -41.3633 -7.38311 2.54861 -15.7693 -46.1593 -15.8487 -1.26987 TIMING: 143000 CPU: 454.912, 0.00316603/step Wall: 454.912, 0.00316603/step, 4.27151 hours remaining, 230.046875 MB of memory in use. ENERGY: 143000 4047.2820 20346.4311 14566.9655 253.4691 -203289.7236 2561.0711 0.0000 0.0000 51848.0720 -109666.4328 297.9716 -161514.5048 -109294.6831 299.5679 102.8915 133.6304 761057.4829 -0.4575 -0.3858 PRESSURE: 143200 114.508 91.776 84.0214 91.7762 250.229 43.6692 84.0218 43.6698 180.891 GPRESSURE: 143200 104.44 -41.4333 94.855 248.125 268.383 -23.3677 193.38 93.687 266.648 PRESSAVG: 143200 -65.9413 42.2253 27.0276 42.2255 54.6498 -31.3469 27.0276 -31.3469 -8.26824 GPRESSAVG: 143200 -66.5614 41.7347 26.2818 43.6788 54.4158 -30.0736 27.9437 -31.1343 -7.77307 TIMING: 143200 CPU: 455.539, 0.00313523/step Wall: 455.539, 0.00313523/step, 4.22977 hours remaining, 230.046875 MB of memory in use. ENERGY: 143200 3966.1414 20693.3697 14524.1105 250.7597 -203767.9377 2749.0075 0.0000 0.0000 52084.0819 -109500.4669 299.3279 -161584.5489 -109140.0297 299.0791 181.8761 213.1568 760277.3560 -6.5199 -6.6395 PRESSURE: 143400 -83.1348 -50.1394 60.5219 -50.1389 -161.122 -251.037 60.5223 -251.037 -587.389 GPRESSURE: 143400 -89.1901 -131.278 13.6672 -62.3342 -166.064 -236.681 152.061 -85.2041 -467.536 PRESSAVG: 143400 -76.7673 10.1536 49.1661 10.1536 42.6029 -32.5317 49.1661 -32.5317 -9.45417 GPRESSAVG: 143400 -76.9632 13.1928 49.17 9.52919 42.102 -32.797 50.3481 -30.4853 -9.06962 TIMING: 143400 CPU: 456.165, 0.00313074/step Wall: 456.165, 0.00313074/step, 4.22354 hours remaining, 230.046875 MB of memory in use. ENERGY: 143400 4025.7479 20570.6855 14538.6870 255.8761 -203593.6445 2711.1329 0.0000 0.0000 52048.6396 -109442.8754 299.1242 -161491.5151 -109087.6632 299.4772 -277.2151 -240.9302 761017.2122 -14.5395 -14.6436 PRESSURE: 143600 -47.781 71.6924 -17.545 71.6927 366.535 -145.538 -17.5445 -145.539 -50.8852 GPRESSURE: 143600 34.9693 56.7437 -6.57999 29.3524 370.9 -120.802 -175.525 -51.8728 -21.6119 PRESSAVG: 143600 -5.62164 -4.52527 9.57534 -4.52526 15.3148 -25.756 9.57543 -25.756 -10.5199 GPRESSAVG: 143600 -3.97656 -6.95747 10.0741 -3.94024 15.5589 -25.5752 8.17776 -27.6817 -12.4886 TIMING: 143600 CPU: 456.794, 0.00314403/step Wall: 456.794, 0.00314403/step, 4.24129 hours remaining, 230.046875 MB of memory in use. ENERGY: 143600 3921.8581 20375.0524 14489.0861 238.8983 -203586.7082 2746.0357 0.0000 0.0000 52176.3164 -109639.4612 299.8580 -161815.7776 -109260.3398 299.4998 89.2897 128.0857 762318.5758 -0.2756 -0.3021 PRESSURE: 143800 -123.327 -101.425 285.66 -101.424 335.812 -197.702 285.659 -197.701 264.387 GPRESSURE: 143800 -80.9197 -97.8655 303.292 -87.9302 323.236 -114.018 326.173 -32.9163 302.394 PRESSAVG: 143800 -25.747 21.2691 44.5388 21.2691 4.2832 -19.2061 44.5388 -19.206 -22.7806 GPRESSAVG: 143800 -25.8008 23.9601 45.0869 19.7944 3.42904 -18.9768 43.9616 -19.0745 -22.1147 TIMING: 143800 CPU: 457.424, 0.00314994/step Wall: 457.424, 0.00314994/step, 4.24909 hours remaining, 230.046875 MB of memory in use. ENERGY: 143800 4042.0966 20590.8189 14514.7678 247.9332 -203630.0971 2715.0490 0.0000 0.0000 52171.3272 -109348.1044 299.8293 -161519.4315 -108987.0491 299.5334 158.9571 181.5700 760241.3040 -14.7481 -14.8288 PRESSURE: 144000 217.164 90.7639 -291.724 90.7636 377.476 -46.8769 -291.723 -46.8768 325.622 GPRESSURE: 144000 255.401 93.027 -175.655 56.824 400.472 -91.9661 -274.19 -81.5164 327.211 PRESSAVG: 144000 46.4671 -36.6489 11.0301 -36.649 -51.8942 -21.6879 11.0302 -21.6879 -11.5266 GPRESSAVG: 144000 46.242 -40.3952 9.48565 -36.7503 -51.7221 -21.3723 13.6393 -22.0563 -11.5135 TIMING: 144000 CPU: 458.055, 0.00315623/step Wall: 458.055, 0.00315623/step, 4.2574 hours remaining, 230.046875 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: 144000 3918.5292 20565.6323 14467.5605 258.3523 -203554.5096 2784.2092 0.0000 0.0000 52054.9789 -109505.2473 299.1607 -161560.2262 -109149.2195 299.3514 306.7536 327.6944 760625.8963 -5.6512 -5.6646 PRESSURE: 144200 173.985 -129.3 75.649 -129.3 -91.5133 134.603 75.6489 134.603 260.464 GPRESSURE: 144200 206.546 -136.115 90.7223 -34.2741 27.4651 171.114 -56.3858 153.316 217.125 PRESSAVG: 144200 10.9691 -19.9124 -22.0565 -19.9124 12.1146 -13.564 -22.0565 -13.564 -5.50651 GPRESSAVG: 144200 10.7732 -18.0206 -20.4816 -19.5753 12.099 -14.1508 -22.2561 -12.9826 -5.10797 TIMING: 144200 CPU: 458.684, 0.00314272/step Wall: 458.684, 0.00314272/step, 4.23901 hours remaining, 230.046875 MB of memory in use. ENERGY: 144200 3962.6139 20432.7209 14455.1848 259.4404 -203825.0177 2957.1121 0.0000 0.0000 52256.7837 -109501.1619 300.3205 -161757.9456 -109132.8312 299.6021 114.3118 150.3787 759847.6091 5.8591 5.9214 LDB: ============= START OF LOAD BALANCING ============== 471.105 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 471.105 LDB: =============== DONE WITH MIGRATION ================ 471.107 LDB: ============= START OF LOAD BALANCING ============== 471.422 LDB: Largest compute 7044 load 0.033888 is 17.4% of average load 0.194756 LDB: Average compute 0.004387 is 2.3% of average load 0.194756 LDB: TIME 471.426 LOAD: AVG 0.194756 MAX 0.215196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.461 MB LDB: TIME 471.426 LOAD: AVG 0.194756 MAX 0.215196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.461 MB LDB: TIME 471.426 LOAD: AVG 0.194756 MAX 0.215196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.461 MB LDB: ============== END OF LOAD BALANCING =============== 471.429 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 471.434 PRESSURE: 144400 -40.849 -110.97 -24.4967 -110.971 -0.471835 125.806 -24.4973 125.807 175.887 GPRESSURE: 144400 52.2729 -133.9 37.5062 -154.181 64.5683 82.7607 -5.47325 36.298 95.3642 PRESSAVG: 144400 26.9872 -37.2065 12.242 -37.2064 2.11589 -14.3241 12.242 -14.3241 3.91938 GPRESSAVG: 144400 27.2647 -37.9517 11.7895 -38.2777 1.59791 -15.4354 11.5212 -15.4399 4.12353 TIMING: 144400 CPU: 459.327, 0.00321753/step Wall: 459.327, 0.00321753/step, 4.33974 hours remaining, 229.855469 MB of memory in use. ENERGY: 144400 4028.7276 20680.5367 14530.0937 235.7914 -203198.2656 2480.6928 0.0000 0.0000 51943.4354 -109298.9879 298.5196 -161242.4233 -108946.3369 299.3770 44.8554 70.7351 761073.0488 11.0075 10.9954 PRESSURE: 144600 -139.973 -76.5135 283.507 -76.5126 -403.922 -240.393 283.507 -240.395 3.16264 GPRESSURE: 144600 -138.802 -84.1229 259.397 -70.1129 -347.235 -180.623 137.66 -195.886 27.9817 PRESSAVG: 144600 -7.22605 -30.5114 57.8463 -30.5114 -10.4289 34.9001 57.8462 34.9001 2.98692 GPRESSAVG: 144600 -9.08726 -31.0994 57.9593 -30.0989 -8.58111 36.4692 55.9046 35.6963 2.82997 TIMING: 144600 CPU: 459.958, 0.00315195/step Wall: 459.958, 0.00315195/step, 4.25111 hours remaining, 229.855469 MB of memory in use. ENERGY: 144600 3948.3151 20626.5704 14466.3866 264.1203 -203113.3649 2384.4475 0.0000 0.0000 52330.3468 -109093.1782 300.7432 -161423.5250 -108730.5290 299.6687 -180.2441 -152.6850 761802.3395 -4.8893 -4.9461 PRESSURE: 144800 -96.0738 2.31775 -160.643 2.31838 136.094 226.44 -160.643 226.44 -105.755 GPRESSURE: 144800 -21.3668 -74.157 -82.6256 8.85973 116.87 162.169 -113.811 207.809 -53.8781 PRESSAVG: 144800 -7.95445 3.34176 -9.42329 3.3418 3.72574 -16.4903 -9.42336 -16.4903 -18.7698 GPRESSAVG: 144800 -6.38591 3.81812 -10.2284 5.01838 1.16408 -19.0659 -7.69914 -15.1945 -17.9629 TIMING: 144800 CPU: 460.588, 0.00315293/step Wall: 460.588, 0.00315293/step, 4.25225 hours remaining, 229.855469 MB of memory in use. ENERGY: 144800 3990.2769 20624.3788 14538.2304 234.8471 -203159.8809 2620.7595 0.0000 0.0000 52293.3499 -108858.0384 300.5306 -161151.3883 -108495.1433 300.5566 -21.9115 13.8752 760923.2536 -7.6662 -7.7282 PRESSURE: 145000 322.917 135.793 94.5984 135.794 95.3929 -82.347 94.5979 -82.3469 119.254 GPRESSURE: 145000 342.026 150.541 71.1718 149.247 163.543 -74.2043 159.846 -80.1859 117.899 PRESSAVG: 145000 -11.9814 -14.6423 -9.0396 -14.6423 41.834 18.6024 -9.03962 18.6025 -1.55633 GPRESSAVG: 145000 -12.4993 -14.995 -7.31242 -16.237 42.8153 19.4215 -10.0239 16.568 -2.2156 TIMING: 145000 CPU: 461.214, 0.00312887/step Wall: 461.214, 0.00312887/step, 4.21963 hours remaining, 229.855469 MB of memory in use. ENERGY: 145000 4025.0757 20601.0981 14530.7897 241.3730 -203195.9176 2775.8435 0.0000 0.0000 52115.5457 -108906.1921 299.5088 -161021.7377 -108546.1957 300.5563 179.1879 207.8227 762217.8695 9.4321 9.3668 PRESSURE: 145200 228.973 -144.926 -128.559 -144.927 19.5076 -36.3889 -128.56 -36.3893 -34.8001 GPRESSURE: 145200 229.241 -167.206 -135.038 -183.567 64.3796 -55.9889 -66.232 -9.64581 -1.83418 PRESSAVG: 145200 19.177 -15.2426 14.2486 -15.2426 3.96976 -3.19151 14.2487 -3.1915 -21.3839 GPRESSAVG: 145200 18.9484 -13.3722 13.0352 -15.0462 3.61046 -3.21793 15.2343 -4.40223 -20.9647 TIMING: 145200 CPU: 461.84, 0.0031269/step Wall: 461.84, 0.0031269/step, 4.2168 hours remaining, 229.855469 MB of memory in use. ENERGY: 145200 3841.5030 20715.4915 14494.4601 243.3071 -203032.3321 2474.2665 0.0000 0.0000 52236.3632 -109026.9407 300.2031 -161263.3039 -108660.5378 300.1391 71.2267 97.2621 762538.7813 0.5876 0.5314 PRESSURE: 145400 283.493 -121.79 15.8039 -121.79 61.204 76.3013 15.8033 76.2996 99.6207 GPRESSURE: 145400 301.728 -15.8631 0.175483 -51.3261 75.3411 -22.3438 -84.149 46.6006 139.044 PRESSAVG: 145400 6.29054 -13.4817 -4.27255 -13.4816 -49.2327 -30.8333 -4.27254 -30.8333 -8.74935 GPRESSAVG: 145400 7.30009 -13.3722 -4.49153 -13.8416 -49.4858 -28.8701 -3.71061 -29.1695 -9.58535 TIMING: 145400 CPU: 462.464, 0.00312356/step Wall: 462.464, 0.00312356/step, 4.21212 hours remaining, 229.855469 MB of memory in use. ENERGY: 145400 3916.0282 20459.8366 14502.9835 264.4506 -202960.0409 2708.8076 0.0000 0.0000 52147.5757 -108960.3588 299.6928 -161107.9345 -108599.7512 299.9184 148.1058 172.0379 763769.5630 -17.2305 -17.2570 PRESSURE: 145600 418.538 30.8328 99.0633 30.8313 369.019 -125.064 99.0638 -125.063 -43.3017 GPRESSURE: 145600 489.413 -28.0936 113.49 -91.8494 325.404 -95.6934 96.3316 27.5132 24.5203 PRESSAVG: 145600 -12.4544 -20.1709 64.6673 -20.1709 -8.85631 11.0713 64.6673 11.0713 -2.99161 GPRESSAVG: 145600 -13.6646 -20.7897 65.9216 -18.6131 -7.79868 9.30393 63.8601 11.7354 -2.54099 TIMING: 145600 CPU: 463.088, 0.00311765/step Wall: 463.088, 0.00311765/step, 4.20398 hours remaining, 229.855469 MB of memory in use. ENERGY: 145600 3981.6787 20490.9968 14478.3994 241.7328 -203309.2588 2904.9471 0.0000 0.0000 52394.5552 -108816.9487 301.1122 -161211.5039 -108438.7450 300.4479 248.0851 279.7791 762866.2901 -8.1008 -8.0014 PRESSURE: 145800 34.8804 -4.98841 38.4514 -4.98831 -265.749 130.462 38.4527 130.462 -141.759 GPRESSURE: 145800 63.085 -66.4088 -21.4214 -17.7373 -173.13 127.527 26.5841 -5.669 -172.119 PRESSAVG: 145800 11.3983 -31.4652 -16.5749 -31.4652 19.013 -24.4912 -16.5749 -24.4913 12.9425 GPRESSAVG: 145800 10.9391 -30.9627 -17.8479 -31.186 19.4234 -24.346 -15.8042 -26.711 13.0061 TIMING: 145800 CPU: 463.71, 0.00311149/step Wall: 463.71, 0.00311149/step, 4.1955 hours remaining, 229.855469 MB of memory in use. ENERGY: 145800 3976.5370 20556.5073 14462.6414 253.3282 -202765.4940 2224.7686 0.0000 0.0000 52288.3100 -109003.4015 300.5016 -161291.7115 -108637.2481 300.3076 -124.2091 -94.0548 762609.3826 14.4512 14.4562 PRESSURE: 146000 -234.096 77.6265 -271.619 77.6265 -146.627 -71.7205 -271.62 -71.7206 216.886 GPRESSURE: 146000 -195.88 16.8987 -276.801 56.9619 -54.5107 -10.1263 -118.469 -58.511 186.071 PRESSAVG: 146000 18.2712 -19.1709 40.3298 -19.1709 -42.0714 31.7068 40.3298 31.7067 6.22868 GPRESSAVG: 146000 19.0433 -20.1356 41.283 -20.9398 -42.9815 31.7065 39.1358 31.8695 6.73287 TIMING: 146000 CPU: 464.333, 0.00311324/step Wall: 464.333, 0.00311324/step, 4.19768 hours remaining, 229.855469 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: 146000 4006.8029 20544.3625 14412.4551 235.5194 -203280.9806 2806.6702 0.0000 0.0000 52280.3132 -108994.8574 300.4557 -161275.1706 -108633.0394 300.1927 -54.6122 -21.4399 762877.6643 -5.8572 -5.7351 PRESSURE: 146200 52.8503 235.96 96.7147 235.961 -201.332 6.8288 96.7141 6.82741 425.267 GPRESSURE: 146200 64.7071 205.563 22.0638 68.1537 -141.065 -39.5469 60.953 90.5233 436.707 PRESSAVG: 146200 -18.1275 -72.8712 10.9702 -72.8712 -0.980474 3.54014 10.9703 3.54016 -11.9773 GPRESSAVG: 146200 -18.9791 -74.2045 9.01739 -73.8005 0.229465 2.79238 11.1648 6.60046 -12.3537 TIMING: 146200 CPU: 464.959, 0.00313007/step Wall: 464.959, 0.00313007/step, 4.22021 hours remaining, 229.855469 MB of memory in use. ENERGY: 146200 4005.0818 20605.0633 14548.3523 257.2801 -202981.7261 2476.3824 0.0000 0.0000 52051.6238 -109037.9426 299.1414 -161089.5664 -108685.3031 300.2293 92.2617 120.1163 762896.0862 -10.3617 -10.3678 PRESSURE: 146400 145.985 -118.616 186.475 -118.616 243.43 -125.778 186.475 -125.778 52.0381 GPRESSURE: 146400 171.974 -44.7179 279.484 96.2425 221.144 -50.4022 82.0139 -233.515 121.59 PRESSAVG: 146400 14.8522 -41.6177 42.1542 -41.6176 13.6789 15.4406 42.1542 15.4406 25.002 GPRESSAVG: 146400 15.456 -39.2714 42.3828 -39.9652 13.6909 13.4216 42.7354 15.1262 24.5497 TIMING: 146400 CPU: 465.585, 0.00313185/step Wall: 465.585, 0.00313185/step, 4.22242 hours remaining, 229.855469 MB of memory in use. ENERGY: 146400 3943.7372 20486.7666 14442.6199 250.2359 -203478.8089 2744.1825 0.0000 0.0000 52253.2088 -109358.0579 300.2999 -161611.2668 -108992.2253 299.7298 147.1511 171.5693 761046.6491 17.8443 17.8988 PRESSURE: 146600 -248.716 -355.673 -99.4036 -355.673 -317.83 81.6424 -99.4029 81.6423 142.7 GPRESSURE: 146600 -238.737 -307.267 -123.446 -258.882 -291.479 32.5725 -51.724 21.8228 193.68 PRESSAVG: 146600 7.35532 -32.0095 -2.89435 -32.0094 -9.71757 19.9746 -2.8943 19.9746 -3.69155 GPRESSAVG: 146600 7.30773 -31.7481 -3.07382 -32.0305 -10.9056 21.8621 -4.01494 19.3103 -1.80296 TIMING: 146600 CPU: 466.21, 0.00312225/step Wall: 466.21, 0.00312225/step, 4.20931 hours remaining, 229.855469 MB of memory in use. ENERGY: 146600 3984.9022 20398.9323 14375.3646 251.2023 -202601.7968 2185.9695 0.0000 0.0000 52029.3133 -109376.1125 299.0132 -161405.4258 -109010.5315 299.1775 -141.2820 -112.1787 761267.8000 -2.0179 -1.8003 PRESSURE: 146800 209.43 153.371 -50.7562 153.37 8.6566 -80.0079 -50.7566 -80.0093 82.3741 GPRESSURE: 146800 221.064 104.788 -19.2207 130.736 79.8394 -109.293 -150.262 12.7652 85.4688 PRESSAVG: 146800 -20.5604 -36.1815 -25.4222 -36.1816 15.8616 2.99021 -25.4222 2.99022 31.9639 GPRESSAVG: 146800 -20.7975 -39.1553 -24.1575 -34.3162 16.8062 1.40711 -25.7454 1.9489 30.7495 TIMING: 146800 CPU: 466.836, 0.00313242/step Wall: 466.836, 0.00313242/step, 4.22284 hours remaining, 229.855469 MB of memory in use. ENERGY: 146800 3982.4931 20428.8805 14464.6400 241.8253 -203143.9549 2585.0384 0.0000 0.0000 52082.6958 -109358.3818 299.3200 -161441.0777 -108999.8307 299.0355 100.1537 128.7906 762011.4438 9.0884 8.9194 PRESSURE: 147000 -164.645 -82.9546 -51.1719 -82.9547 -93.2477 -80.4075 -51.1714 -80.4068 62.7432 GPRESSURE: 147000 -130.376 -102.889 31.1241 -84.3429 -57.5863 -68.2775 -115.865 -74.274 78.8913 PRESSAVG: 147000 14.663 -38.1562 21.3253 -38.1561 40.3009 -22.1461 21.3253 -22.146 -7.18618 GPRESSAVG: 147000 14.8824 -38.6108 20.9293 -37.4564 39.9773 -21.3721 22.205 -21.24 -7.07888 TIMING: 147000 CPU: 467.461, 0.00312478/step Wall: 467.461, 0.00312478/step, 4.21238 hours remaining, 229.855469 MB of memory in use. ENERGY: 147000 3966.8128 20443.7726 14515.8832 242.1078 -203125.3357 2551.6245 0.0000 0.0000 52039.2142 -109365.9206 299.0701 -161405.1348 -108998.0875 299.1443 -65.0497 -36.3571 761836.1743 15.9259 15.9270 PRESSURE: 147200 -86.4894 12.616 10.8216 12.6156 118.833 37.3894 10.8203 37.3887 87.7705 GPRESSURE: 147200 -73.06 21.8875 64.9641 -34.372 197.472 85.3262 -13.1929 57.2835 89.284 PRESSAVG: 147200 -54.3008 -10.1901 0.490053 -10.1901 41.406 10.3173 0.490048 10.3173 -1.02915 GPRESSAVG: 147200 -55.3501 -10.0117 0.759044 -11.9022 41.109 10.1788 1.24837 9.22714 0.425653 TIMING: 147200 CPU: 468.09, 0.00314321/step Wall: 468.09, 0.00314321/step, 4.23705 hours remaining, 229.855469 MB of memory in use. ENERGY: 147200 3936.2239 20516.6692 14504.8853 234.3256 -202749.4869 2159.8402 0.0000 0.0000 52150.9166 -109246.6261 299.7120 -161397.5427 -108884.0670 299.3798 40.0380 71.2320 760327.3979 -4.6413 -4.6051 PRESSURE: 147400 5.79373 -7.0959 23.3672 -7.09606 -358.981 241.083 23.3668 241.083 69.4509 GPRESSURE: 147400 -3.71198 42.268 -28.277 -92.9892 -270.427 283.594 51.698 257.756 65.7057 PRESSAVG: 147400 6.09725 -51.1024 11.4116 -51.1023 12.1684 19.9995 11.4116 19.9995 21.2668 GPRESSAVG: 147400 6.76751 -48.5617 11.6744 -53.3617 13.4524 22.6765 9.74591 20.1346 19.6552 TIMING: 147400 CPU: 468.722, 0.00316107/step Wall: 468.722, 0.00316107/step, 4.26094 hours remaining, 229.855469 MB of memory in use. ENERGY: 147400 3989.8063 20595.3923 14505.1140 251.8204 -203237.4831 2421.2478 0.0000 0.0000 52250.9636 -109223.1388 300.2870 -161474.1024 -108858.8403 300.4498 -94.5787 -69.4777 760375.9409 13.1775 13.2917 PRESSURE: 147600 -1.24294 -238.998 119.206 -238.998 182.567 -137.942 119.206 -137.943 61.0139 GPRESSURE: 147600 29.4056 -157.604 81.2398 -123.164 155.931 -51.921 141.797 -123.347 134.365 PRESSAVG: 147600 -63.8226 -34.8163 -1.01126 -34.8164 67.3843 31.5921 -1.01128 31.5922 1.88709 GPRESSAVG: 147600 -63.6986 -36.6144 -1.65551 -30.8495 66.9098 29.2177 -0.424464 29.845 2.28464 TIMING: 147600 CPU: 469.355, 0.00316622/step Wall: 469.355, 0.00316622/step, 4.26771 hours remaining, 229.855469 MB of memory in use. ENERGY: 147600 4047.3681 20317.3946 14526.1391 247.7799 -203265.8894 2508.4644 0.0000 0.0000 52211.5488 -109407.1944 300.0605 -161618.7433 -109044.8765 299.5502 80.7794 106.5674 759634.3608 1.8163 1.8319 PRESSURE: 147800 -384.042 -75.6377 -21.4835 -75.6378 -206.872 -324.119 -21.4838 -324.117 -57.684 GPRESSURE: 147800 -312.584 -135.113 -11.1771 -53.4427 -237.385 -265.756 -94.6901 -318.183 1.93874 PRESSAVG: 147800 9.80071 -46.323 40.8961 -46.323 6.77866 -16.0292 40.8961 -16.0292 -9.15135 GPRESSAVG: 147800 10.3431 -44.1789 41.0655 -49.4185 5.53319 -14.4961 39.9974 -14.259 -8.44131 TIMING: 147800 CPU: 469.985, 0.0031489/step Wall: 469.985, 0.0031489/step, 4.2442 hours remaining, 229.855469 MB of memory in use. ENERGY: 147800 3982.9034 20434.6445 14442.0007 263.7403 -202605.5693 2174.3266 0.0000 0.0000 52003.3460 -109304.6078 298.8639 -161307.9538 -108943.9643 299.5753 -216.1993 -182.6766 761395.3937 2.4760 2.4783 PRESSURE: 148000 -204.283 5.99384 35.9947 5.99311 159.475 184.251 35.9937 184.252 -85.767 GPRESSURE: 148000 -188.441 -18.3515 3.73288 21.4469 118.337 259.318 71.7338 77.1741 3.22891 PRESSAVG: 148000 34.9208 -11.8298 18.3662 -11.8298 47.2616 -11.9659 18.3662 -11.9659 -4.17189 GPRESSAVG: 148000 35.2007 -13.8862 19.2897 -11.2397 46.4695 -12.7716 15.7987 -11.4523 -4.19076 TIMING: 148000 CPU: 470.611, 0.00312918/step Wall: 470.611, 0.00312918/step, 4.21743 hours remaining, 229.855469 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: 148000 3960.7689 20592.2964 14494.9847 228.4377 -202905.4591 2330.3862 0.0000 0.0000 52210.3328 -109088.2523 300.0535 -161298.5851 -108739.8730 300.2793 -43.5250 -22.2918 759540.2309 26.0035 25.8265 PRESSURE: 148200 -9.42512 -174.201 -59.3584 -174.201 -136.271 -39.8946 -59.3587 -39.8939 426.846 GPRESSURE: 148200 52.1518 -0.91745 -29.5575 -156.72 -113.703 50.9953 -14.6359 -167.81 429.539 PRESSAVG: 148200 -24.2715 -36.2386 4.42643 -36.2387 45.4643 -18.31 4.42646 -18.31 6.40929 GPRESSAVG: 148200 -25.2524 -34.0846 3.68156 -37.2538 46.7758 -18.0654 6.49523 -21.2574 6.37458 TIMING: 148200 CPU: 471.234, 0.00311502/step Wall: 471.234, 0.00311502/step, 4.19818 hours remaining, 229.855469 MB of memory in use. ENERGY: 148200 3914.3308 20534.8591 14420.3980 256.7432 -203177.2602 2592.4593 0.0000 0.0000 52291.1330 -109167.3366 300.5179 -161458.4696 -108797.9833 300.4798 93.7166 122.6628 760370.4049 9.2007 9.2993 LDB: ============= START OF LOAD BALANCING ============== 483.654 LDB: ============== END OF LOAD BALANCING =============== 483.654 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 483.656 LDB: ============= START OF LOAD BALANCING ============== 483.973 LDB: Largest compute 7069 load 0.032993 is 16.9% of average load 0.194855 LDB: Average compute 0.004374 is 2.2% of average load 0.194855 LDB: TIME 483.977 LOAD: AVG 0.194855 MAX 0.211707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.312 MB LDB: TIME 483.977 LOAD: AVG 0.194855 MAX 0.211707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.516 MB LDB: TIME 483.977 LOAD: AVG 0.194855 MAX 0.211707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.516 MB LDB: ============== END OF LOAD BALANCING =============== 483.979 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 483.984 PRESSURE: 148400 130.968 73.0663 88.113 73.0657 35.9456 -96.0563 88.1115 -96.0572 112.281 GPRESSURE: 148400 101.461 -112.303 89.4702 79.9117 111.039 -102.096 220.969 -144.888 165.62 PRESSAVG: 148400 -8.5693 -46.7323 33.8697 -46.7323 50.8175 21.7853 33.8696 21.7854 2.06773 GPRESSAVG: 148400 -7.99833 -49.716 34.4146 -43.5256 51.671 21.0701 35.1867 23.0334 0.802553 TIMING: 148400 CPU: 471.878, 0.00322076/step Wall: 471.878, 0.00322076/step, 4.34051 hours remaining, 228.773438 MB of memory in use. ENERGY: 148400 3940.6475 20391.3982 14494.4741 264.0403 -203403.2333 2666.0005 0.0000 0.0000 52142.2558 -109504.4170 299.6623 -161646.6727 -109129.8803 299.7181 93.0649 126.0400 761042.6597 14.7720 14.8251 PRESSURE: 148600 -299.043 100.672 132.59 100.671 -58.8926 174.632 132.59 174.632 -309.998 GPRESSURE: 148600 -213.035 75.4196 156.31 188.916 -53.3056 97.9876 87.929 139.697 -322.506 PRESSAVG: 148600 -55.8396 -30.3574 -34.2932 -30.3574 36.6128 61.5824 -34.2932 61.5824 -29.6264 GPRESSAVG: 148600 -56.2449 -29.3041 -33.8844 -30.2474 36.3521 59.6221 -35.7523 63.4048 -28.9353 TIMING: 148600 CPU: 472.513, 0.00317766/step Wall: 472.513, 0.00317766/step, 4.28225 hours remaining, 228.976562 MB of memory in use. ENERGY: 148600 4020.6269 20360.4586 14469.8742 264.7239 -203532.9404 2702.6058 0.0000 0.0000 52348.4579 -109366.1931 300.8473 -161714.6511 -109001.0736 299.6425 -222.6444 -196.2821 761380.8421 -16.2844 -16.2761 PRESSURE: 148800 149.739 13.8516 -153.394 13.8518 -28.1672 244.299 -153.395 244.298 226.089 GPRESSURE: 148800 213.345 -70.371 -176.762 11.753 -34.8271 105.013 34.0874 229.895 258.068 PRESSAVG: 148800 -105.615 -42.5487 -28.6079 -42.5486 85.4818 54.4868 -28.6078 54.4867 -3.03902 GPRESSAVG: 148800 -105.071 -42.4384 -31.0675 -45.9983 85.8316 56.1537 -26.8999 54.5101 -4.43496 TIMING: 148800 CPU: 473.145, 0.00315834/step Wall: 473.145, 0.00315834/step, 4.25603 hours remaining, 228.976562 MB of memory in use. ENERGY: 148800 3929.8920 20609.9301 14421.2614 232.2372 -203358.0668 2662.4966 0.0000 0.0000 52192.3584 -109309.8911 299.9502 -161502.2495 -108956.1835 299.6572 115.8871 145.5289 760964.3069 -7.7242 -7.8915 PRESSURE: 149000 75.6601 16.5641 -93.3915 16.5634 -237.653 29.8147 -93.3911 29.8133 -149.456 GPRESSURE: 149000 97.6617 33.9331 -80.0934 -49.3632 -259.76 54.0108 -194.275 -38.1643 -48.7336 PRESSAVG: 149000 -31.7232 -36.4351 -55.6031 -36.4352 14.7359 -14.0299 -55.6031 -14.0298 -0.0088519 GPRESSAVG: 149000 -31.727 -35.7006 -54.1908 -36.1019 13.8192 -12.9603 -56.8183 -16.2091 0.649817 TIMING: 149000 CPU: 473.777, 0.00315903/step Wall: 473.777, 0.00315903/step, 4.2568 hours remaining, 228.976562 MB of memory in use. ENERGY: 149000 4019.3371 20580.9636 14426.9961 254.7990 -202941.3233 2396.1612 0.0000 0.0000 52061.0284 -109202.0378 299.1954 -161263.0663 -108846.0826 299.9915 -103.8165 -70.2773 761896.6595 -5.6654 -5.7526 PRESSURE: 149200 102.763 -21.1261 -221.809 -21.1257 319.641 -122.927 -221.809 -122.926 178.085 GPRESSURE: 149200 116.165 -77.9286 -237.863 98.5972 325.264 -114.166 -269.623 -102.474 245.104 PRESSAVG: 149200 -5.30286 -48.7664 15.0737 -48.7664 -17.2987 -15.434 15.0738 -15.4339 -13.3801 GPRESSAVG: 149200 -6.2549 -49.0781 15.7209 -47.7354 -16.7499 -16.5914 15.4886 -16.2326 -12.6526 TIMING: 149200 CPU: 474.415, 0.00318898/step Wall: 474.415, 0.00318898/step, 4.29697 hours remaining, 228.976562 MB of memory in use. ENERGY: 149200 3902.9159 20548.1941 14476.0923 240.3627 -202925.5340 2439.1212 0.0000 0.0000 52148.2511 -109170.5966 299.6967 -161318.8477 -108806.3325 299.6185 200.1632 228.8444 761044.2813 -11.9939 -11.8858 PRESSURE: 149400 -12.8116 37.3844 -213.641 37.384 329.775 47.2689 -213.641 47.2693 156.664 GPRESSURE: 149400 81.7648 96.0914 -176.25 203.409 341.498 59.0997 -158.573 57.3643 144.496 PRESSAVG: 149400 33.3574 -55.5868 -62.336 -55.5867 -26.2922 15.8089 -62.336 15.809 -10.3347 GPRESSAVG: 149400 34.1922 -54.8882 -62.459 -54.7611 -25.8751 15.8646 -63.5353 19.5181 -11.9873 TIMING: 149400 CPU: 475.052, 0.00318735/step Wall: 475.052, 0.00318735/step, 4.2946 hours remaining, 228.976562 MB of memory in use. ENERGY: 149400 3973.2765 20392.1052 14477.0728 245.1437 -202831.2276 2437.1386 0.0000 0.0000 52054.9088 -109251.5820 299.1603 -161306.4908 -108883.7770 299.6849 157.8757 189.2526 761439.4662 -1.0898 -1.2234 PRESSURE: 149600 -183.515 12.236 299.167 12.2351 134.171 -192.118 299.168 -192.118 148.303 GPRESSURE: 149600 -84.3241 -26.2823 286.968 -17.7024 61.528 -230.198 361.355 -116.2 197.06 PRESSAVG: 149600 2.71141 -52.4424 -28.5187 -52.4424 -4.16219 -6.90795 -28.5187 -6.90789 12.9186 GPRESSAVG: 149600 3.25562 -54.7048 -29.2782 -52.8969 -5.5216 -8.14987 -26.0328 -6.53956 14.0544 TIMING: 149600 CPU: 475.691, 0.00319185/step Wall: 475.691, 0.00319185/step, 4.30048 hours remaining, 228.976562 MB of memory in use. ENERGY: 149600 3912.5761 20406.8077 14445.3524 237.8636 -203107.6037 2507.0169 0.0000 0.0000 52474.9401 -109123.0468 301.5742 -161597.9869 -108751.5954 300.0730 32.9864 58.0879 760159.3818 3.8226 3.9295 PRESSURE: 149800 313.519 -102.973 41.6229 -102.973 -7.8814 -84.1086 41.6222 -84.1104 43.4103 GPRESSURE: 149800 275.298 -175.864 18.9547 -155.092 123.833 -43.1484 168.706 -123.557 51.5154 PRESSAVG: 149800 43.2921 -38.9819 12.5876 -38.982 -20.6417 -52.6866 12.5876 -52.6866 18.4972 GPRESSAVG: 149800 42.8482 -36.7987 13.571 -39.8666 -20.0734 -51.1785 11.5698 -55.8114 18.6336 TIMING: 149800 CPU: 476.323, 0.00316297/step Wall: 476.323, 0.00316297/step, 4.2614 hours remaining, 228.976562 MB of memory in use. ENERGY: 149800 3999.5839 20536.2870 14470.1279 245.7296 -203183.7344 2572.3365 0.0000 0.0000 52392.8671 -108966.8023 301.1025 -161359.6695 -108596.0598 300.5533 116.3493 150.2157 760775.0052 13.7159 13.8028 PRESSURE: 150000 228.059 -84.0571 61.4851 -84.0564 137.715 -196.07 61.4858 -196.069 26.4921 GPRESSURE: 150000 202.727 -81.6152 56.3355 -65.0603 216.605 -163.583 98.0744 -248.583 52.651 PRESSAVG: 150000 -15.9716 -61.8245 -16.8257 -61.8246 20.8262 -16.1757 -16.8257 -16.1757 -0.857736 GPRESSAVG: 150000 -16.7024 -64.3977 -16.3625 -60.6607 22.1889 -15.9095 -16.9459 -15.0391 -0.244335 TIMING: 150000 CPU: 476.954, 0.00315246/step Wall: 476.954, 0.00315246/step, 4.24706 hours remaining, 228.976562 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: 150000 4005.0027 20599.3218 14406.0171 229.5758 -203287.7184 2603.7840 0.0000 0.0000 52335.6480 -109108.3689 300.7737 -161444.0169 -108755.6554 300.2562 130.7552 157.3277 761191.0129 1.3323 1.7474 PRESSURE: 150200 -249.197 -103.352 -139.053 -103.352 -24.4893 -136.266 -139.051 -136.265 -144.135 GPRESSURE: 150200 -294.652 -125.547 -106.723 -64.8661 42.1076 -119.309 -43.7318 -269.942 -97.316 PRESSAVG: 150200 21.3672 -73.6984 14.8868 -73.6984 -19.1146 55.3768 14.8867 55.3768 -9.93297 GPRESSAVG: 150200 21.7075 -72.381 13.5902 -76.0867 -19.3973 56.5297 16.228 57.2194 -10.5784 TIMING: 150200 CPU: 477.59, 0.00318114/step Wall: 477.59, 0.00318114/step, 4.28553 hours remaining, 228.976562 MB of memory in use. ENERGY: 150200 4025.1437 20641.2174 14464.1725 234.3610 -202793.7527 2359.3913 0.0000 0.0000 52100.9950 -108968.4718 299.4251 -161069.4668 -108606.8604 300.6040 -139.2738 -116.6202 761793.0306 -2.5601 -2.7560 PRESSURE: 150400 -91.7397 142.328 83.231 142.328 -181.417 97.5486 83.2307 97.5484 108.782 GPRESSURE: 150400 -6.71723 183.322 99.0705 261.144 -119.156 81.6942 -22.7417 25.0853 60.2992 PRESSAVG: 150400 12.7676 -41.0945 50.6128 -41.0945 17.9156 -0.838441 50.6128 -0.838444 32.5725 GPRESSAVG: 150400 12.9748 -41.442 50.1238 -39.5043 17.3952 -2.99641 45.7712 -2.21257 32.5917 TIMING: 150400 CPU: 478.228, 0.00318951/step Wall: 478.228, 0.00318951/step, 4.29663 hours remaining, 228.976562 MB of memory in use. ENERGY: 150400 3967.3181 20481.3861 14505.3790 230.6691 -203199.3729 2555.1370 0.0000 0.0000 52332.4894 -109126.9942 300.7555 -161459.4836 -108762.3271 300.8335 -54.7917 -21.8580 760310.5274 21.0852 20.9872 PRESSURE: 150600 -171.18 -149.901 10.9554 -149.902 -152.018 -356.227 10.955 -356.227 150.285 GPRESSURE: 150600 -151.801 -129.268 111.772 -192.114 -65.1795 -252.736 -82.2584 -303.581 119.657 PRESSAVG: 150600 -43.3129 -37.8057 73.8364 -37.8057 -9.50637 -0.757657 73.8364 -0.757715 -12.2473 GPRESSAVG: 150600 -42.9131 -36.2151 74.9717 -38.6188 -10.4216 0.606 75.3163 -1.17513 -12.4361 TIMING: 150600 CPU: 478.862, 0.00317114/step Wall: 478.862, 0.00317114/step, 4.27171 hours remaining, 228.976562 MB of memory in use. ENERGY: 150600 3968.0063 20450.5490 14479.2971 247.7455 -202911.5702 2170.4456 0.0000 0.0000 52370.7757 -109224.7509 300.9756 -161595.5267 -108856.2676 300.2561 -57.6379 -32.4410 761085.8461 -21.6888 -21.9236 PRESSURE: 150800 -161.349 -67.9579 56.3792 -67.9579 -13.8823 47.7686 56.3789 47.7682 -472.594 GPRESSURE: 150800 -192.565 -35.1886 74.2678 -139.876 110.437 112.803 57.8119 -183.132 -476.073 PRESSAVG: 150800 -32.0572 -41.3759 -53.4253 -41.3759 -13.708 10.1225 -53.4253 10.1224 -16.586 GPRESSAVG: 150800 -32.1959 -41.7309 -52.7309 -40.1281 -12.9193 10.0686 -54.0647 9.52243 -16.9716 TIMING: 150800 CPU: 479.497, 0.00317325/step Wall: 479.497, 0.00317325/step, 4.27436 hours remaining, 228.976562 MB of memory in use. ENERGY: 150800 4015.0751 20540.4066 14430.7468 235.9533 -203551.5743 2772.3962 0.0000 0.0000 52289.6396 -109267.3567 300.5093 -161556.9963 -108913.6982 300.2559 -215.9417 -186.0670 761032.2467 -20.7837 -20.6956 PRESSURE: 151000 287.774 55.7626 -17.7577 55.7629 113.511 -83.2381 -17.7588 -83.2377 -220.247 GPRESSURE: 151000 357.874 -29.1356 22.5283 55.4759 108.955 2.16372 124.553 32.02 -195.497 PRESSAVG: 151000 -17.9668 -25.0053 -3.40493 -25.0053 -0.905529 -0.194736 -3.40487 -0.19471 7.87805 GPRESSAVG: 151000 -18.441 -24.5871 -5.27298 -25.552 -0.434481 1.83214 -0.975473 0.378621 7.96601 TIMING: 151000 CPU: 480.132, 0.00317458/step Wall: 480.132, 0.00317458/step, 4.27599 hours remaining, 228.976562 MB of memory in use. ENERGY: 151000 4032.8791 20514.9597 14494.4371 231.7216 -203365.9518 2441.1537 0.0000 0.0000 52268.6797 -109382.1209 300.3888 -161650.8006 -109008.7429 299.9051 60.3460 90.4442 760387.9741 -3.6648 -3.6365 PRESSURE: 151200 -65.9766 38.713 77.7594 38.714 25.7548 111.305 77.7591 111.307 -264.725 GPRESSURE: 151200 12.5249 -72.1787 93.2865 -68.444 41.4923 200.761 -12.4512 213.569 -261.469 PRESSAVG: 151200 -17.3327 -78.1366 -9.97471 -78.1366 25.2539 29.8226 -9.97467 29.8226 2.44262 GPRESSAVG: 151200 -17.157 -79.3604 -9.3596 -78.6316 25.563 26.8542 -10.7568 32.2717 2.38694 TIMING: 151200 CPU: 480.766, 0.00317161/step Wall: 480.766, 0.00317161/step, 4.2718 hours remaining, 228.976562 MB of memory in use. ENERGY: 151200 3998.6959 20462.6317 14433.3174 249.3677 -202853.8658 2315.4645 0.0000 0.0000 52239.9945 -109154.3941 300.2240 -161394.3887 -108792.6346 299.7184 -101.6488 -69.1505 762142.2525 3.4546 3.5977 PRESSURE: 151400 -390.171 -34.3983 -175.865 -34.3976 18.6365 -183.802 -175.864 -183.802 -70.0233 GPRESSURE: 151400 -374.923 -41.0649 -129.809 23.8104 27.3031 -238.448 -46.1777 -155.288 4.73348 PRESSAVG: 151400 5.36389 -30.7046 7.46479 -30.7046 -25.8547 3.57161 7.46478 3.57157 -0.515713 GPRESSAVG: 151400 4.17526 -31.898 5.92989 -27.8987 -26.2399 5.12041 8.85148 2.61187 1.04197 TIMING: 151400 CPU: 481.402, 0.00317812/step Wall: 481.402, 0.00317812/step, 4.28039 hours remaining, 228.976562 MB of memory in use. ENERGY: 151400 4029.0755 20380.5323 14449.1609 250.7198 -203030.4857 2424.4722 0.0000 0.0000 52193.5856 -109302.9394 299.9573 -161496.5250 -108937.0109 299.5183 -147.1860 -114.2954 762207.4656 -7.0022 -7.0075 PRESSURE: 151600 -87.0466 197.652 -362.425 197.652 -136.589 201.698 -362.425 201.697 160.358 GPRESSURE: 151600 -112.842 76.6388 -286.896 81.9349 -79.1234 165.387 -316.557 193.306 202.427 PRESSAVG: 151600 -39.8267 -66.9722 6.7145 -66.9722 20.6216 -4.28945 6.71451 -4.28947 -14.4983 GPRESSAVG: 151600 -39.0126 -63.9791 8.35264 -70.3844 20.4016 -4.15035 6.65592 -5.47548 -14.7343 TIMING: 151600 CPU: 482.034, 0.00316475/step Wall: 482.034, 0.00316475/step, 4.26222 hours remaining, 228.976562 MB of memory in use. ENERGY: 151600 3928.1400 20473.7110 14496.0204 263.2307 -202425.4139 2149.7292 0.0000 0.0000 51875.5572 -109239.0253 298.1295 -161114.5825 -108886.7430 299.1411 -21.0926 3.4872 762814.5862 -11.2345 -11.1151 PRESSURE: 151800 63.6363 19.1195 28.7645 19.119 76.9868 -74.8308 28.7649 -74.8303 464.444 GPRESSURE: 151800 140.587 135.71 53.8793 55.9683 150.191 -135.382 -43.9611 -89.0596 372.356 PRESSAVG: 151800 -25.5823 -63.5045 15.4625 -63.5045 20.1129 -6.82306 15.4625 -6.82306 12.5517 GPRESSAVG: 151800 -24.8185 -64.687 15.3328 -63.0094 19.9025 -7.49698 16.4321 -8.41776 11.6165 TIMING: 151800 CPU: 482.667, 0.00316409/step Wall: 482.667, 0.00316409/step, 4.26115 hours remaining, 228.976562 MB of memory in use. ENERGY: 151800 3968.5017 20506.9908 14514.0811 250.7945 -203411.9756 2840.8867 0.0000 0.0000 52019.8063 -109310.9146 298.9585 -161330.7208 -108951.8861 299.3211 201.6891 221.0448 761508.6603 2.3608 2.2335 PRESSURE: 152000 -211.246 192.097 131.703 192.098 -34.3185 164.501 131.703 164.501 -119.179 GPRESSURE: 152000 -194.145 98.0414 177.014 140.52 -7.62529 68.1832 192.609 134.81 -97.4775 PRESSAVG: 152000 -15.0553 -76.1598 -13.7282 -76.1598 30.3067 -35.0058 -13.7282 -35.0058 -0.762695 GPRESSAVG: 152000 -15.4519 -77.6179 -14.4385 -75.8368 29.9731 -35.3692 -15.9091 -32.5144 -0.339571 TIMING: 152000 CPU: 483.305, 0.00318737/step Wall: 483.305, 0.00318737/step, 4.29233 hours remaining, 228.976562 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: 152000 3989.6984 20375.3685 14474.3354 246.7003 -202965.6021 2285.5650 0.0000 0.0000 52289.8497 -109304.0847 300.5105 -161593.9344 -108941.6286 299.4792 -121.5811 -99.7491 761273.2054 4.8296 4.7272 PRESSURE: 152200 -105.09 -23.1075 -80.9984 -23.1075 -357.471 -59.2431 -80.9984 -59.2422 -236.428 GPRESSURE: 152200 -89.0467 93.557 3.64601 -63.6743 -317.421 41.2884 -103.679 -91.0327 -186.68 PRESSAVG: 152200 10.3172 -68.2162 -10.7317 -68.2162 -20.806 -12.8919 -10.7316 -12.8919 1.44541 GPRESSAVG: 152200 9.12054 -64.0432 -10.3397 -69.4687 -19.5447 -12.0176 -9.15881 -12.2557 1.58841 TIMING: 152200 CPU: 483.943, 0.0031916/step Wall: 483.943, 0.0031916/step, 4.29785 hours remaining, 228.976562 MB of memory in use. ENERGY: 152200 4000.4372 20453.1123 14573.9869 255.3723 -202942.1846 2232.2671 0.0000 0.0000 51884.0822 -109542.9266 298.1785 -161427.0088 -109176.2569 299.2760 -232.9966 -197.7157 762123.1838 -3.0145 -2.9452 LDB: ============= START OF LOAD BALANCING ============== 496.365 LDB: ============== END OF LOAD BALANCING =============== 496.366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 496.367 LDB: ============= START OF LOAD BALANCING ============== 496.685 LDB: Largest compute 7033 load 0.035245 is 18.1% of average load 0.194703 LDB: Average compute 0.004390 is 2.3% of average load 0.194703 LDB: TIME 496.689 LOAD: AVG 0.194703 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.824 MB LDB: TIME 496.689 LOAD: AVG 0.194703 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: TIME 496.689 LOAD: AVG 0.194703 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: ============== END OF LOAD BALANCING =============== 496.692 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 496.697 PRESSURE: 152400 -368.922 -32.3514 -16.9842 -32.3517 178.377 60.8993 -16.9838 60.8979 -203.704 GPRESSURE: 152400 -381.957 -135.049 -8.65583 -14.7662 199.186 -27.1976 -164.273 110.453 -119.259 PRESSAVG: 152400 5.27175 -21.3174 -14.4052 -21.3174 -24.8137 -7.98977 -14.4052 -7.98973 -1.42264 GPRESSAVG: 152400 5.92076 -23.9563 -17.6137 -19.5093 -25.575 -7.77141 -14.7839 -10.0678 -1.27713 TIMING: 152400 CPU: 484.591, 0.0032378/step Wall: 484.591, 0.0032378/step, 4.35988 hours remaining, 230.113281 MB of memory in use. ENERGY: 152400 4063.0899 20463.2461 14557.0477 247.6846 -203203.5279 2514.0612 0.0000 0.0000 51949.0935 -109409.3049 298.5522 -161358.3984 -109042.2250 299.2677 -131.4164 -100.6766 762270.5673 -6.9882 -6.9771 PRESSURE: 152600 -127.644 29.7831 -2.02663 29.7828 -57.457 -154.434 -2.02596 -154.434 -490.677 GPRESSURE: 152600 -8.98888 106.224 -76.3369 13.0871 -69.2756 -93.1132 77.1921 -135.84 -493.41 PRESSAVG: 152600 24.7999 -54.1686 16.6541 -54.1687 21.0083 -62.3109 16.6542 -62.3109 -6.47246 GPRESSAVG: 152600 25.3987 -54.6709 19.2967 -54.2894 20.6495 -61.8715 17.3394 -60.374 -6.65015 TIMING: 152600 CPU: 485.219, 0.00314015/step Wall: 485.219, 0.00314015/step, 4.22822 hours remaining, 230.316406 MB of memory in use. ENERGY: 152600 4039.8124 20377.1525 14537.7751 246.0820 -203735.0988 2621.5168 0.0000 0.0000 52253.8878 -109658.8721 300.3038 -161912.7599 -109295.7799 299.1182 -225.2595 -190.5581 761810.3379 13.1119 13.1327 PRESSURE: 152800 -12.337 -198.903 -234.546 -198.904 -237.134 5.25969 -234.546 5.26002 185.587 GPRESSURE: 152800 -67.1011 -129.792 -344.777 -118.164 -72.5205 109.625 -146.371 -174.608 157.043 PRESSAVG: 152800 -10.9685 -69.3617 12.821 -69.3617 -21.3149 -9.36898 12.821 -9.36892 -7.86776 GPRESSAVG: 152800 -11.9556 -68.0874 13.1601 -69.961 -20.0463 -10.3624 13.0584 -10.4257 -8.48359 TIMING: 152800 CPU: 485.848, 0.00314717/step Wall: 485.848, 0.00314717/step, 4.23749 hours remaining, 230.316406 MB of memory in use. ENERGY: 152800 3957.4295 20411.5478 14496.6831 251.9462 -203601.0946 2508.4751 0.0000 0.0000 52083.1386 -109891.8743 299.3225 -161975.0129 -109524.7704 298.7568 -21.2946 5.8070 761179.7162 -13.3837 -13.4952 PRESSURE: 153000 320.885 -25.3106 12.0343 -25.3108 272.863 49.7159 12.0338 49.7157 61.3324 GPRESSURE: 153000 304.904 -36.6186 -15.0824 -4.83004 273.033 -4.60193 41.5518 99.5546 161.392 PRESSAVG: 153000 1.76236 -48.4937 -20.2222 -48.4937 36.9531 40.7824 -20.2221 40.7824 -3.02955 GPRESSAVG: 153000 2.577 -50.0975 -19.8841 -49.1047 35.453 42.0467 -21.581 39.9362 -3.12719 TIMING: 153000 CPU: 486.482, 0.00316806/step Wall: 486.482, 0.00316806/step, 4.26544 hours remaining, 230.316406 MB of memory in use. ENERGY: 153000 4054.3997 20460.8036 14467.5775 240.4070 -203547.2422 2657.0569 0.0000 0.0000 51970.3345 -109696.6631 298.6742 -161666.9976 -109337.7241 298.6826 218.3601 246.4432 760623.3228 11.8953 11.6343 PRESSURE: 153200 -242.383 -256.594 -72.6121 -256.594 -264.169 120.652 -72.6123 120.654 -355.469 GPRESSURE: 153200 -239.136 -207.492 -85.3301 -181.097 -269.43 204.442 -61.6833 91.814 -269.246 PRESSAVG: 153200 -39.0423 -53.2461 -12.1633 -53.2461 13.27 -22.1003 -12.1633 -22.1002 8.7406 GPRESSAVG: 153200 -39.8236 -52.69 -13.6975 -50.3149 14.2672 -23.1054 -11.5883 -19.9544 8.45331 TIMING: 153200 CPU: 487.114, 0.0031599/step Wall: 487.114, 0.0031599/step, 4.25428 hours remaining, 230.316406 MB of memory in use. ENERGY: 153200 3989.4292 20243.9408 14550.8482 253.5271 -203380.1004 2469.2082 0.0000 0.0000 52174.8662 -109698.2807 299.8497 -161873.1469 -109327.7912 298.5936 -287.3403 -259.2706 761682.3073 -5.6772 -5.7010 PRESSURE: 153400 -410.882 -1.69854 332.809 -1.69894 -297.343 182.406 332.809 182.406 -381.541 GPRESSURE: 153400 -315.912 69.0478 310.718 31.1519 -279.85 237.524 208.626 46.84 -405.195 PRESSAVG: 153400 -29.5632 -36.9348 39.2317 -36.9349 11.0703 8.84743 39.2317 8.84733 -28.2606 GPRESSAVG: 153400 -29.6051 -33.5308 38.2978 -39.8435 10.7705 10.1763 40.3401 7.43485 -28.1785 TIMING: 153400 CPU: 487.744, 0.00315381/step Wall: 487.744, 0.00315381/step, 4.24591 hours remaining, 230.316406 MB of memory in use. ENERGY: 153400 3991.4520 20548.5794 14429.4927 249.7123 -203060.5845 2165.0962 0.0000 0.0000 51880.5703 -109795.6816 298.1584 -161676.2519 -109438.0481 299.0731 -363.2552 -333.6525 761116.2107 -15.5845 -15.6711 PRESSURE: 153600 152.551 104.343 -186.067 104.343 -63.9099 4.90486 -186.067 4.90485 31.9959 GPRESSURE: 153600 40.4115 -88.7678 -187.091 107.722 -13.9696 -81.6943 -272.34 18.5685 169.258 PRESSAVG: 153600 13.9437 -32.4447 41.0232 -32.4447 -13.5049 -25.8027 41.0232 -25.8027 -9.94428 GPRESSAVG: 153600 14.0506 -34.4447 42.7872 -31.6618 -13.8143 -27.3473 39.303 -25.1227 -9.81756 TIMING: 153600 CPU: 488.374, 0.00314947/step Wall: 488.374, 0.00314947/step, 4.23989 hours remaining, 230.316406 MB of memory in use. ENERGY: 153600 3992.3783 20493.2072 14390.8009 242.3370 -203642.3347 2716.2961 0.0000 0.0000 51916.4363 -109890.8787 298.3645 -161807.3151 -109526.3315 298.2899 40.2122 65.2334 759855.5083 -3.1685 -3.1938 PRESSURE: 153800 257.717 -167.736 -182.577 -167.736 -21.6034 -38.6739 -182.577 -38.6738 -407.126 GPRESSURE: 153800 339.889 -201.369 -153.18 -180.503 -2.56886 56.1417 -214.44 -38.2904 -436.592 PRESSAVG: 153800 -46.317 -79.8952 13.0108 -79.8952 46.4065 -17.8684 13.0108 -17.8684 2.03177 GPRESSAVG: 153800 -47.1994 -81.2817 12.945 -77.6911 47.3892 -16.8285 14.2474 -16.7123 2.11067 TIMING: 153800 CPU: 489.002, 0.00313812/step Wall: 489.002, 0.00313812/step, 4.22444 hours remaining, 230.316406 MB of memory in use. ENERGY: 153800 4043.0658 20594.6454 14423.2351 251.0405 -203135.0325 2201.0210 0.0000 0.0000 51919.5578 -109702.4669 298.3824 -161622.0248 -109347.8589 298.8342 -57.0042 -33.0907 761149.7669 0.7071 0.7668 PRESSURE: 154000 289.789 -98.6061 -237.216 -98.6066 23.9215 -96.8252 -237.216 -96.826 160.035 GPRESSURE: 154000 405.81 -154.312 -239.624 -150.61 73.8794 -135.53 -238.244 -134.989 86.2111 PRESSAVG: 154000 13.0635 -12.8065 -12.5977 -12.8066 36.8794 25.2509 -12.5976 25.2509 6.87733 GPRESSAVG: 154000 13.9529 -11.2422 -13.3482 -13.3182 36.2462 25.4417 -13.9233 24.2654 6.21506 TIMING: 154000 CPU: 489.641, 0.00319256/step Wall: 489.641, 0.00319256/step, 4.29754 hours remaining, 230.316406 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: 154000 3983.4255 20353.2674 14440.7119 247.7315 -203175.1219 2659.1133 0.0000 0.0000 51952.7836 -109538.0886 298.5734 -161490.8723 -109185.1600 298.9003 157.9152 188.6336 760651.5604 18.9401 18.8047 PRESSURE: 154200 78.1866 -95.7074 152.185 -95.7068 -67.3773 -104.309 152.186 -104.308 282.022 GPRESSURE: 154200 135.37 -191.982 34.4573 -147.635 -18.0012 -103.863 220.654 -61.8375 289.389 PRESSAVG: 154200 15.7803 -16.1396 -56.2933 -16.1397 4.73011 17.8554 -56.2933 17.8555 16.9851 GPRESSAVG: 154200 15.2651 -17.3534 -56.8412 -15.7711 4.40228 17.492 -54.9854 18.0329 17.774 TIMING: 154200 CPU: 490.275, 0.00317309/step Wall: 490.275, 0.00317309/step, 4.27115 hours remaining, 230.316406 MB of memory in use. ENERGY: 154200 3979.7592 20511.8272 14469.6573 255.9212 -203517.8788 2745.0736 0.0000 0.0000 52047.0536 -109508.5867 299.1151 -161555.6403 -109157.1603 299.2832 97.6104 135.5860 759131.3474 12.4985 12.4804 PRESSURE: 154400 26.8264 47.7193 223.789 47.7194 139.229 82.0228 223.789 82.0211 367.584 GPRESSURE: 154400 80.0864 42.9977 142.592 -1.35139 157.343 86.2588 161.137 57.4929 403.398 PRESSAVG: 154400 -38.5397 19.7197 28.5564 19.7198 9.84194 4.68148 28.5564 4.68152 -7.94538 GPRESSAVG: 154400 -39.283 18.3262 28.9151 21.2024 10.3505 3.87679 29.3405 4.5604 -7.77083 TIMING: 154400 CPU: 490.91, 0.00317329/step Wall: 490.91, 0.00317329/step, 4.27125 hours remaining, 230.316406 MB of memory in use. ENERGY: 154400 3901.2501 20328.6046 14417.3492 244.1691 -203186.9723 2598.1813 0.0000 0.0000 51972.6227 -109724.7952 298.6874 -161697.4179 -109363.4202 298.9499 177.8796 213.6092 761295.4036 -12.2144 -12.2345 PRESSURE: 154600 -150.641 166.492 16.8407 166.492 -41.2977 -69.9548 16.8405 -69.9542 109.673 GPRESSURE: 154600 -98.6065 145.554 -43.26 218.123 -27.3733 -9.12893 33.8687 36.2688 110.318 PRESSAVG: 154600 35.6951 0.504657 3.62523 0.504632 4.63561 30.7312 3.62529 30.7311 8.04444 GPRESSAVG: 154600 36.5093 1.82682 2.86777 -2.10638 4.30849 32.1976 2.06038 30.914 7.5615 TIMING: 154600 CPU: 491.547, 0.00318504/step Wall: 491.547, 0.00318504/step, 4.28689 hours remaining, 230.316406 MB of memory in use. ENERGY: 154600 3955.1279 20660.3297 14442.9611 261.3218 -203338.4545 2538.0143 0.0000 0.0000 51835.5564 -109645.1434 297.8997 -161480.6998 -109280.6869 299.2674 -27.4218 -5.2205 761183.2315 16.1251 16.1264 PRESSURE: 154800 82.3922 -221.797 -17.2149 -221.797 55.4464 40.8217 -17.2158 40.8211 -169.445 GPRESSURE: 154800 79.0738 -235.074 71.6581 -177.357 78.9986 134.215 -48.3315 -142.426 -108.613 PRESSAVG: 154800 57.1314 -22.6141 21.9501 -22.6142 -46.568 37.0558 21.9501 37.0558 12.6117 GPRESSAVG: 154800 55.773 -20.3923 23.8748 -23.5615 -46.1422 35.6005 23.9523 36.7639 13.4233 TIMING: 154800 CPU: 492.182, 0.00317417/step Wall: 492.182, 0.00317417/step, 4.27208 hours remaining, 230.316406 MB of memory in use. ENERGY: 154800 3944.3494 20561.7055 14444.1810 253.9042 -203485.4209 2694.1687 0.0000 0.0000 51803.4402 -109783.6720 297.7151 -161587.1122 -109425.1605 298.8089 -10.5353 16.4864 760171.3376 7.7250 7.6847 PRESSURE: 155000 309.197 -270.958 77.2967 -270.958 319.475 -42.143 77.2973 -42.1428 76.2516 GPRESSURE: 155000 337.383 -194.3 -30.2707 -157.658 348.26 -14.8374 193.25 16.4134 109.738 PRESSAVG: 155000 -70.9076 8.78162 -8.51722 8.78162 39.6978 5.87088 -8.51718 5.87092 -3.09101 GPRESSAVG: 155000 -69.2796 7.61842 -8.57695 8.97578 38.0341 6.44564 -8.73657 5.41486 -3.29141 TIMING: 155000 CPU: 492.814, 0.00316177/step Wall: 492.814, 0.00316176/step, 4.25521 hours remaining, 230.316406 MB of memory in use. ENERGY: 155000 3975.9020 20532.5907 14569.6058 248.0167 -203721.0465 2886.4493 0.0000 0.0000 52016.9319 -109491.5501 298.9420 -161508.4820 -109134.0418 298.7542 234.9744 265.1270 759567.2469 -11.4336 -11.5123 PRESSURE: 155200 202.657 -39.5111 -42.116 -39.5106 -241.638 45.8705 -42.1154 45.8711 -167.679 GPRESSURE: 155200 180.783 -122.594 -21.6563 -46.5655 -247.561 106.194 23.1197 3.34608 -67.4679 PRESSAVG: 155200 -48.1592 -60.6661 -8.21404 -60.6661 56.7777 9.98874 -8.21406 9.98871 -6.66832 GPRESSAVG: 155200 -48.6613 -64.7337 -8.10851 -59.6813 56.8013 10.6282 -7.90675 10.3746 -6.01153 TIMING: 155200 CPU: 493.45, 0.00318245/step Wall: 493.45, 0.00318245/step, 4.28287 hours remaining, 230.316406 MB of memory in use. ENERGY: 155200 3942.4299 20478.7627 14434.8773 259.3307 -203361.2467 2449.3744 0.0000 0.0000 52261.1666 -109535.3051 300.3456 -161796.4717 -109164.3491 299.5863 -68.8869 -44.7486 760704.1280 0.6500 0.7095 PRESSURE: 155400 -335.005 -123.892 19.9166 -123.893 -114.78 89.0546 19.9171 89.0535 -749.187 GPRESSURE: 155400 -295.278 -64.8909 99.8163 -129.129 -177.352 48.9568 87.2416 61.6013 -641.731 PRESSAVG: 155400 3.21487 -17.859 -18.8544 -17.859 20.5395 -61.5814 -18.8543 -61.5814 -14.3197 GPRESSAVG: 155400 2.88941 -14.7635 -19.4479 -18.5363 20.5054 -61.4935 -20.7826 -63.6128 -14.8215 TIMING: 155400 CPU: 494.087, 0.00318098/step Wall: 494.087, 0.00318098/step, 4.28072 hours remaining, 230.316406 MB of memory in use. ENERGY: 155400 3945.4190 20580.0440 14462.5951 233.5147 -203098.1645 2160.2703 0.0000 0.0000 52148.7313 -109567.5900 299.6995 -161716.3213 -109210.8836 299.1584 -399.6573 -371.4538 761050.2031 3.1449 2.8578 PRESSURE: 155600 -223.91 -227.335 65.9337 -227.334 -113.137 -135.483 65.9335 -135.482 -13.1868 GPRESSURE: 155600 -171.206 -214.836 126.132 -273.04 -58.5255 -212.132 68.879 -50.2635 -29.6971 PRESSAVG: 155600 -88.5266 -15.8507 12.9345 -15.8507 44.92 -25.9869 12.9345 -25.9869 1.53533 GPRESSAVG: 155600 -88.3417 -14.8597 13.6391 -15.8654 44.3479 -25.8928 14.5299 -24.8352 1.69041 TIMING: 155600 CPU: 494.721, 0.0031718/step Wall: 494.721, 0.0031718/step, 4.26818 hours remaining, 230.316406 MB of memory in use. ENERGY: 155600 3948.4669 20526.7365 14439.2254 252.6064 -203309.2122 2574.4365 0.0000 0.0000 51864.6246 -109703.1158 298.0667 -161567.7405 -109339.5865 298.6632 -116.7445 -86.4763 760501.5197 -14.0237 -14.1011 PRESSURE: 155800 -363.007 -70.2307 209.905 -70.2295 -13.454 125.354 209.905 125.354 -235.211 GPRESSURE: 155800 -362.209 15.1351 230.149 -115.359 64.6743 191.686 58.2297 80.4471 -223.618 PRESSAVG: 155800 -17.284 -42.7208 -3.78113 -42.7208 36.3488 -38.0885 -3.78115 -38.0885 -9.66909 GPRESSAVG: 155800 -17.7062 -44.4152 -6.13711 -43.1178 38.3857 -38.32 -3.03436 -38.0273 -11.1633 TIMING: 155800 CPU: 495.356, 0.00317409/step Wall: 495.356, 0.00317409/step, 4.27109 hours remaining, 230.316406 MB of memory in use. ENERGY: 155800 3973.7874 20546.2674 14478.8630 238.2685 -203398.1941 2574.9806 0.0000 0.0000 51980.5056 -109605.5216 298.7327 -161586.0272 -109249.7584 298.3207 -203.8906 -173.7177 760657.2939 3.1319 3.1721 PRESSURE: 156000 -151.963 -20.2906 207.299 -20.2904 -157.254 -150.192 207.3 -150.191 106.624 GPRESSURE: 156000 -127.702 -41.8299 181.917 -80.9901 -120.826 -119.468 108.127 -70.1088 148.845 PRESSAVG: 156000 -17.6086 -7.85394 39.6887 -7.85398 65.1144 24.8227 39.6886 24.8227 -20.155 GPRESSAVG: 156000 -17.0206 -6.47524 40.5297 -7.387 64.8749 24.6915 38.4369 25.5195 -19.6836 TIMING: 156000 CPU: 495.99, 0.00317214/step Wall: 495.99, 0.00317214/step, 4.26828 hours remaining, 230.316406 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: 156000 4053.6947 20326.0958 14456.8894 241.8672 -203033.0680 2367.9521 0.0000 0.0000 51832.9509 -109753.6179 297.8847 -161586.5687 -109400.2826 298.4567 -67.5309 -33.2276 761183.2959 9.1169 9.3902 PRESSURE: 156200 -71.3149 -59.3115 -165.22 -59.3118 -202.744 282.489 -165.221 282.489 -17.0023 GPRESSURE: 156200 -35.6444 -22.0964 -131.49 7.35464 -184.43 293.274 -107.426 287.082 -6.26778 PRESSAVG: 156200 0.738205 -28.9045 -17.0537 -28.9045 26.9696 -21.3657 -17.0537 -21.3657 7.94513 GPRESSAVG: 156200 0.549491 -27.4868 -18.3527 -27.6954 26.2004 -22.4643 -18.0829 -19.4139 8.22869 TIMING: 156200 CPU: 496.626, 0.00317905/step Wall: 496.626, 0.00317905/step, 4.27741 hours remaining, 230.316406 MB of memory in use. ENERGY: 156200 3975.6635 20369.8654 14562.7922 255.7936 -204172.8752 3035.8055 0.0000 0.0000 52297.3177 -109675.6372 300.5534 -161972.9549 -109320.5839 298.9579 -97.0204 -75.4474 760574.4753 11.8843 11.6595 LDB: ============= START OF LOAD BALANCING ============== 509.048 LDB: ============== END OF LOAD BALANCING =============== 509.048 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 509.049 LDB: ============= START OF LOAD BALANCING ============== 509.366 LDB: Largest compute 7070 load 0.034918 is 17.9% of average load 0.194777 LDB: Average compute 0.004403 is 2.3% of average load 0.194777 LDB: TIME 509.369 LOAD: AVG 0.194777 MAX 0.212741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.82 MB LDB: TIME 509.37 LOAD: AVG 0.194777 MAX 0.212741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.023 MB LDB: TIME 509.37 LOAD: AVG 0.194777 MAX 0.212741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.023 MB LDB: ============== END OF LOAD BALANCING =============== 509.372 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 509.377 PRESSURE: 156400 -188.854 -262.076 -147.17 -262.076 217.975 -150.456 -147.17 -150.454 -171.997 GPRESSURE: 156400 -109.281 -271.423 -219.887 -279.244 213.813 -209.04 31.5557 -279.478 -152.342 PRESSAVG: 156400 -64.8474 -68.193 12.7907 -68.193 32.9417 -35.2627 12.7907 -35.2626 -10.8431 GPRESSAVG: 156400 -64.5309 -68.6276 14.5054 -70.5179 32.0136 -36.2342 12.798 -37.2486 -10.9962 TIMING: 156400 CPU: 497.271, 0.00322262/step Wall: 497.271, 0.00322262/step, 4.33586 hours remaining, 227.781250 MB of memory in use. ENERGY: 156400 4053.2198 20371.7883 14586.1521 235.9353 -203339.5210 2616.0955 0.0000 0.0000 51711.7981 -109764.5319 297.1884 -161476.3300 -109414.5548 299.1737 -47.6253 -15.9366 760709.5911 -14.2496 -14.5045 PRESSURE: 156600 -149.353 -4.34094 -123.475 -4.34123 -112.046 -311.961 -123.476 -311.96 59.0135 GPRESSURE: 156600 -34.9396 26.4496 -130.354 13.584 -105.531 -264.646 -62.9204 -318.723 34.2258 PRESSAVG: 156600 56.1084 4.55801 -7.13191 4.55799 -20.7781 -38.787 -7.13182 -38.787 -0.0769053 GPRESSAVG: 156600 55.9955 4.06067 -9.38998 5.09905 -20.4415 -35.7905 -5.5379 -38.9019 -0.206586 TIMING: 156600 CPU: 497.903, 0.00316285/step Wall: 497.903, 0.00316285/step, 4.25526 hours remaining, 227.781250 MB of memory in use. ENERGY: 156600 4025.3285 20473.5802 14484.0048 268.0571 -203331.7686 2474.9194 0.0000 0.0000 51773.3902 -109832.4884 297.5424 -161605.8786 -109478.3083 298.6896 -67.4616 -35.4150 761314.2953 11.7511 11.7825 PRESSURE: 156800 137.746 -77.3593 7.30177 -77.3594 -286.825 103.002 7.30177 103.001 -17.7432 GPRESSURE: 156800 116.432 -142.032 -26.6747 -3.32107 -200.005 131.361 -47.6456 160.65 -25.7899 PRESSAVG: 156800 36.7846 6.81378 3.46545 6.81377 27.4507 -21.0064 3.46548 -21.0064 7.01888 GPRESSAVG: 156800 34.6498 5.92305 5.69329 8.83708 28.6662 -20.6799 0.838509 -23.1104 7.69908 TIMING: 156800 CPU: 498.537, 0.00316787/step Wall: 498.537, 0.00316787/step, 4.26183 hours remaining, 227.781250 MB of memory in use. ENERGY: 156800 3921.0856 20570.2929 14528.4278 237.8868 -203751.4661 2735.9632 0.0000 0.0000 52014.4670 -109743.3429 298.9279 -161757.8099 -109382.1511 298.8513 -55.6075 -36.4545 760176.3725 23.7514 23.6717 PRESSURE: 157000 15.118 222.217 79.1745 222.218 90.934 -42.6634 79.174 -42.6641 -57.0204 GPRESSURE: 157000 68.5579 236.401 174.677 164.323 91.8447 65.7821 -99.4433 -132.04 -39.4323 PRESSAVG: 157000 -49.7431 -53.2107 51.9658 -53.2106 46.0026 -68.4914 51.9658 -68.4914 10.3519 GPRESSAVG: 157000 -48.1137 -51.3532 51.6126 -54.3571 45.3195 -68.1685 49.9782 -66.6432 9.47252 TIMING: 157000 CPU: 499.167, 0.00315291/step Wall: 499.167, 0.00315291/step, 4.24154 hours remaining, 227.781250 MB of memory in use. ENERGY: 157000 3927.7958 20448.4374 14530.3559 236.9660 -203159.3749 2348.4540 0.0000 0.0000 52011.5916 -109655.7743 298.9113 -161667.3659 -109289.6205 298.6681 16.3439 40.3234 761014.3313 2.2038 2.2261 PRESSURE: 157200 290.119 -240.905 -33.3326 -240.904 529.091 -214.215 -33.3323 -214.214 -130.663 GPRESSURE: 157200 249.658 -131.81 -49.1249 -178.384 560.491 -244.351 7.32855 -39.7473 -25.0837 PRESSAVG: 157200 -25.0274 -49.5589 8.40682 -49.5589 10.1768 -10.0104 8.40687 -10.0105 20.386 GPRESSAVG: 157200 -25.8021 -49.9435 9.48979 -48.782 9.63335 -11.9259 10.7691 -8.99205 21.5047 TIMING: 157200 CPU: 499.796, 0.00314428/step Wall: 499.796, 0.00314428/step, 4.22976 hours remaining, 227.781250 MB of memory in use. ENERGY: 157200 3914.6517 20534.2903 14424.6412 242.5846 -203885.0795 3036.4833 0.0000 0.0000 52191.9980 -109540.4304 299.9481 -161732.4284 -109173.2274 299.2435 229.5154 261.6881 760985.4953 1.8451 1.7787 PRESSURE: 157400 13.3397 275.041 103.1 275.04 96.0547 30.442 103.1 30.4426 499.39 GPRESSURE: 157400 81.8872 279.035 105.781 128.783 61.9665 94.4348 157.182 21.9594 555.946 PRESSAVG: 157400 19.7359 18.192 -29.2441 18.192 -17.1537 -0.770315 -29.244 -0.770418 3.05078 GPRESSAVG: 157400 20.8531 18.1608 -29.4753 16.6136 -17.1469 -0.535638 -29.5188 -1.41204 1.43581 TIMING: 157400 CPU: 500.424, 0.00313758/step Wall: 500.424, 0.00313758/step, 4.22057 hours remaining, 227.781250 MB of memory in use. ENERGY: 157400 3993.7555 20416.0113 14537.0850 241.0787 -203673.2053 2855.5468 0.0000 0.0000 52181.7958 -109447.9322 299.8895 -161629.7280 -109080.5454 299.4558 202.9281 233.2666 760062.1183 1.8776 1.7140 PRESSURE: 157600 -134.952 15.3249 202.177 15.3259 75.2546 148.14 202.177 148.141 -27.624 GPRESSURE: 157600 -155.959 37.3281 176.773 72.3927 224.61 159.138 149.825 208.758 -40.7445 PRESSAVG: 157600 -8.8674 -66.4499 3.52518 -66.45 17.4284 73.5224 3.52525 73.5224 -21.041 GPRESSAVG: 157600 -11.2259 -66.749 0.700612 -64.2509 18.7262 73.2377 6.09818 73.349 -19.8443 TIMING: 157600 CPU: 501.053, 0.00314634/step Wall: 501.053, 0.00314634/step, 4.23218 hours remaining, 227.781250 MB of memory in use. ENERGY: 157600 3949.7689 20532.6873 14541.6947 269.1067 -203680.7043 2747.7626 0.0000 0.0000 52262.8932 -109376.7909 300.3556 -161639.6841 -109007.5035 299.8418 -29.1071 9.3022 760163.7690 -4.1600 -4.1147 PRESSURE: 157800 145.822 -153.278 233.719 -153.278 -135.288 26.0775 233.719 26.0784 -17.911 GPRESSURE: 157800 125.542 -49.618 230.063 -152.966 -28.8547 -22.1373 142.48 15.8924 -23.8457 PRESSAVG: 157800 13.5173 -42.0675 41.3381 -42.0675 -24.9706 54.1619 41.3381 54.1621 -14.2645 GPRESSAVG: 157800 14.6254 -41.5623 44.91 -44.0479 -25.6068 53.2138 37.0439 53.9554 -15.0392 TIMING: 157800 CPU: 501.681, 0.00314045/step Wall: 501.681, 0.00314045/step, 4.22408 hours remaining, 227.781250 MB of memory in use. ENERGY: 157800 3957.1268 20506.7429 14598.8176 250.2664 -203334.9671 2545.9325 0.0000 0.0000 51918.8838 -109557.1972 298.3785 -161476.0810 -109199.6015 298.9873 -2.4589 24.2804 760891.6076 -8.5726 -8.6736 PRESSURE: 158000 -347.726 0.0775653 21.6709 0.0776983 -255.033 115.948 21.6709 115.948 284.215 GPRESSURE: 158000 -260.578 -94.299 -18.3873 -23.7626 -296.66 108.078 -92.0072 85.6856 314.609 PRESSAVG: 158000 -5.70612 -1.52318 7.97723 -1.52315 -21.2194 -19.5051 7.97725 -19.5052 -21.7647 GPRESSAVG: 158000 -4.84824 -4.65263 5.73407 -0.554877 -21.5197 -19.7207 8.82095 -19.0637 -22.5139 TIMING: 158000 CPU: 502.314, 0.00316252/step Wall: 502.314, 0.00316252/step, 4.25359 hours remaining, 227.781250 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: 158000 4028.9002 20702.4982 14497.3265 248.6968 -203307.4265 2352.3132 0.0000 0.0000 51704.7240 -109772.9675 297.1478 -161477.6916 -109418.5857 298.7093 -106.1813 -80.8762 761593.4240 -16.2301 -16.2940 PRESSURE: 158200 -41.5319 -151.906 25.1016 -151.905 56.001 -53.5212 25.1017 -53.5205 -27.2547 GPRESSURE: 158200 12.4048 -137.729 -18.4476 -154.63 41.9509 -26.8819 12.2324 92.2051 20.7229 PRESSAVG: 158200 -5.84784 -68.0769 -29.7275 -68.0768 6.71492 17.3954 -29.7276 17.3954 -12.5204 GPRESSAVG: 158200 -5.58108 -66.2881 -28.6832 -66.7002 5.94933 17.9107 -30.5899 16.9466 -11.4086 TIMING: 158200 CPU: 502.942, 0.00314202/step Wall: 502.942, 0.00314202/step, 4.22584 hours remaining, 227.781250 MB of memory in use. ENERGY: 158200 3873.5055 20745.9058 14505.6405 258.0868 -203415.1344 2279.5770 0.0000 0.0000 52170.0181 -109582.4007 299.8218 -161752.4188 -109219.2652 298.7922 -4.2619 25.0262 759048.0896 -3.8844 -3.6801 PRESSURE: 158400 374.453 -20.4802 199.239 -20.4795 88.6372 78.6974 199.238 78.6968 383.325 GPRESSURE: 158400 354.073 -47.0046 126.743 116.726 156.85 93.4929 174.391 133.972 415.785 PRESSAVG: 158400 12.2429 -26.4782 -9.01841 -26.4782 27.6894 -9.14425 -9.01843 -9.14419 -2.06704 GPRESSAVG: 158400 11.0267 -26.1977 -10.2531 -26.6116 28.2269 -8.90725 -7.13843 -11.2556 -1.04915 TIMING: 158400 CPU: 503.57, 0.00314186/step Wall: 503.57, 0.00314186/step, 4.22545 hours remaining, 227.781250 MB of memory in use. ENERGY: 158400 3952.5190 20515.4966 14436.3048 247.5454 -203739.1453 2902.7625 0.0000 0.0000 51987.6692 -109696.8478 298.7738 -161684.5170 -109332.3210 298.9796 282.1384 308.9028 758677.8536 12.6217 12.7348 PRESSURE: 158600 -222.764 -96.3239 -6.57386 -96.324 -131.793 102.479 -6.57411 102.478 90.4665 GPRESSURE: 158600 -158.053 -100.8 48.0111 -104.535 -126.807 120.293 -31.6969 165.54 116.856 PRESSAVG: 158600 4.6579 -9.00528 -77.3732 -9.00529 -13.6765 -75.5272 -77.3732 -75.5272 -34.6596 GPRESSAVG: 158600 5.92838 -7.91906 -78.5445 -10.3582 -13.6015 -74.8929 -77.3722 -73.2397 -35.9896 TIMING: 158600 CPU: 504.201, 0.00315461/step Wall: 504.201, 0.00315461/step, 4.24243 hours remaining, 227.781250 MB of memory in use. ENERGY: 158600 3966.9193 20461.6416 14461.2170 251.1393 -203891.7868 2888.3588 0.0000 0.0000 52282.1202 -109580.3907 300.4661 -161862.5109 -109216.5830 299.0577 -88.0302 -56.0015 761262.4028 -14.5594 -14.5543 PRESSURE: 158800 35.3563 -39.3745 80.9354 -39.3741 -216.036 -51.9297 80.9357 -51.9295 -292.779 GPRESSURE: 158800 26.4303 -50.4854 135.509 -176.192 -131.303 -53.0712 28.7081 -97.8748 -291.84 PRESSAVG: 158800 26.0179 -66.2525 -30.4909 -66.2525 -1.98316 -20.0034 -30.4909 -20.0033 24.7394 GPRESSAVG: 158800 26.0553 -66.5034 -28.4184 -65.876 -2.72029 -19.5041 -30.8353 -20.9405 26.025 TIMING: 158800 CPU: 504.83, 0.00314211/step Wall: 504.83, 0.00314211/step, 4.22543 hours remaining, 227.781250 MB of memory in use. ENERGY: 158800 4057.4720 20522.5283 14522.7374 245.4193 -203520.0014 2611.4593 0.0000 0.0000 52051.3494 -109509.0357 299.1398 -161560.3851 -109145.8407 299.3509 -157.8197 -132.2378 760206.3961 16.2580 16.4533 PRESSURE: 159000 -252.725 99.777 -70.471 99.7769 -441.435 142.722 -70.4717 142.722 -207.489 GPRESSURE: 159000 -320.046 20.4862 -72.0167 168.49 -276.881 128.334 -131.661 172.618 -202.363 PRESSAVG: 159000 15.2643 -29.5371 32.4401 -29.5371 25.097 -24.0074 32.4401 -24.0073 6.16264 GPRESSAVG: 159000 13.7129 -30.5689 32.4764 -27.4864 26.2455 -24.7785 31.9592 -25.4577 6.35065 TIMING: 159000 CPU: 505.457, 0.00313751/step Wall: 505.457, 0.00313751/step, 4.21908 hours remaining, 227.781250 MB of memory in use. ENERGY: 159000 4012.1179 20498.0153 14454.4300 251.4787 -203623.4870 2638.6299 0.0000 0.0000 51947.9862 -109820.8290 298.5458 -161768.8153 -109458.6425 299.2280 -300.5495 -266.4299 761579.5581 15.5080 15.4364 PRESSURE: 159200 141.634 -49.4785 70.3783 -49.478 -143.28 54.3164 70.3781 54.318 -38.7372 GPRESSURE: 159200 183.35 -165.623 117.782 -90.4426 -34.7624 -8.41074 4.16423 164.613 -120.251 PRESSAVG: 159200 82.6544 -79.6495 13.0479 -79.6494 -60.989 -55.8697 13.0479 -55.8697 10.0057 GPRESSAVG: 159200 83.1062 -78.3749 12.6217 -83.119 -60.9982 -56.5048 12.924 -54.5335 9.98694 TIMING: 159200 CPU: 506.089, 0.00315979/step Wall: 506.089, 0.00315979/step, 4.24886 hours remaining, 227.781250 MB of memory in use. ENERGY: 159200 3931.8489 20515.0388 14485.1781 253.8847 -203998.9947 2758.7215 0.0000 0.0000 52222.1788 -109832.1439 300.1216 -162054.3227 -109471.5732 298.3885 -13.4610 9.4455 760479.4600 10.5570 10.6983 PRESSURE: 159400 67.8902 -166.757 -120.003 -166.757 197.32 56.5504 -120.002 56.5487 -174.296 GPRESSURE: 159400 37.1638 -129.158 -72.9317 -111.129 294.754 57.5473 -122.53 -27.9759 -156.629 PRESSAVG: 159400 24.7942 -56.8316 -21.0568 -56.8315 35.3677 -20.8579 -21.0568 -20.858 -8.84923 GPRESSAVG: 159400 24.5906 -57.4064 -21.4959 -54.1279 34.5246 -20.9177 -22.0149 -19.6027 -7.98429 TIMING: 159400 CPU: 506.719, 0.00315066/step Wall: 506.719, 0.00315066/step, 4.23641 hours remaining, 227.781250 MB of memory in use. ENERGY: 159400 4022.5578 20645.7541 14546.7511 258.9382 -203823.1739 2752.8518 0.0000 0.0000 51879.0334 -109717.2875 298.1495 -161596.3208 -109354.5689 298.8383 30.3045 58.4296 760905.0146 17.1042 17.0436 PRESSURE: 159600 -136.074 -136.37 156.157 -136.369 -213.493 88.8977 156.157 88.8986 429.734 GPRESSURE: 159600 -97.9502 -22.1645 164.029 -7.79763 -117.333 87.2328 203.392 46.3824 359.79 PRESSAVG: 159600 -8.90604 -58.6868 -16.7776 -58.6869 -11.2562 5.48981 -16.7776 5.48974 3.06379 GPRESSAVG: 159600 -7.77091 -57.524 -16.3981 -59.0364 -12.2574 5.80496 -13.9497 3.71401 2.56 TIMING: 159600 CPU: 507.349, 0.00315055/step Wall: 507.349, 0.00315055/step, 4.23609 hours remaining, 227.781250 MB of memory in use. ENERGY: 159600 3981.3652 20444.0386 14530.7411 232.8013 -203918.8687 2727.8484 0.0000 0.0000 52192.4994 -109809.5747 299.9510 -162002.0741 -109434.4889 298.6487 26.7224 48.1690 760861.9699 -5.6995 -5.8228 PRESSURE: 159800 -59.3305 -152.676 42.6789 -152.677 268.046 -223.997 42.6781 -223.996 10.0497 GPRESSURE: 159800 2.0314 -92.913 -15.7365 -110.449 246.788 -196.799 115.536 -187.522 48.0259 PRESSAVG: 159800 10.1167 -60.9885 -29.3954 -60.9884 -34.2727 -11.3584 -29.3954 -11.3584 14.6997 GPRESSAVG: 159800 9.88357 -62.3976 -29.0131 -63.1754 -34.1636 -9.80709 -29.8069 -11.2355 14.712 TIMING: 159800 CPU: 507.98, 0.00315536/step Wall: 507.98, 0.00315536/step, 4.24238 hours remaining, 227.781250 MB of memory in use. ENERGY: 159800 3969.5774 20593.8350 14475.0142 229.2669 -203811.7833 2762.0902 0.0000 0.0000 52060.6103 -109721.3892 299.1930 -161781.9995 -109360.4836 298.7027 72.9219 98.9483 763399.7604 -3.1521 -3.1894 PRESSURE: 160000 -70.0255 -18.9426 200.735 -18.9426 4.32982 -51.1857 200.735 -51.1849 236.525 GPRESSURE: 160000 -50.1755 21.9045 162.713 -62.8873 38.9146 -44.7434 10.0121 -13.9495 269.727 PRESSAVG: 160000 18.2306 -51.8658 2.08535 -51.8658 -49.257 1.2426 2.08536 1.24256 -31.8086 GPRESSAVG: 160000 17.2922 -51.2257 1.6814 -50.8988 -49.4085 -1.44067 0.823677 1.34171 -30.5887 TIMING: 160000 CPU: 508.614, 0.00316709/step Wall: 508.614, 0.00316709/step, 4.25798 hours remaining, 227.781250 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: 160000 3982.8747 20636.6876 14488.5053 256.4844 -204000.2314 3057.8789 0.0000 0.0000 51890.5664 -109687.2341 298.2158 -161577.8005 -109329.0402 299.1444 56.9430 86.1553 762142.1038 -20.9450 -20.9017 PRESSURE: 160200 166.52 -272.897 20.2013 -272.897 25.3638 42.1267 20.2008 42.1268 147.463 GPRESSURE: 160200 165.168 -201.448 68.3696 -190.493 74.5995 49.7093 61.3488 54.6942 174.343 PRESSAVG: 160200 -0.544794 -43.389 -41.6233 -43.3891 12.8268 -3.80794 -41.6234 -3.80793 0.677429 GPRESSAVG: 160200 -1.15398 -44.3514 -40.2271 -43.5589 14.868 -3.64234 -42.4256 -3.17351 -0.706978 TIMING: 160200 CPU: 509.245, 0.00315748/step Wall: 509.245, 0.00315748/step, 4.24488 hours remaining, 227.781250 MB of memory in use. ENERGY: 160200 3979.4004 20691.6192 14569.2578 255.4006 -204052.0675 2812.2261 0.0000 0.0000 52192.4114 -109551.7520 299.9505 -161744.1634 -109194.7255 298.9282 113.1155 138.0369 758673.3188 4.3198 4.3357 LDB: ============= START OF LOAD BALANCING ============== 521.669 LDB: ============== END OF LOAD BALANCING =============== 521.669 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 521.671 LDB: ============= START OF LOAD BALANCING ============== 521.99 LDB: Largest compute 7033 load 0.034992 is 18.0% of average load 0.194742 LDB: Average compute 0.004413 is 2.3% of average load 0.194742 LDB: TIME 521.993 LOAD: AVG 0.194742 MAX 0.216028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.344 MB LDB: TIME 521.994 LOAD: AVG 0.194742 MAX 0.216028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.547 MB LDB: TIME 521.994 LOAD: AVG 0.194742 MAX 0.216028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.547 MB LDB: ============== END OF LOAD BALANCING =============== 521.996 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 522 PRESSURE: 160400 74.0139 93.1406 115.447 93.1414 -102.144 -93.88 115.446 -93.879 -85.6632 GPRESSURE: 160400 58.2375 -50.3709 78.9725 39.472 -33.3847 -69.8866 97.306 -168.979 -59.3877 PRESSAVG: 160400 20.8147 -89.8421 40.8486 -89.842 6.37351 -38.8547 40.8487 -38.8547 -7.86101 GPRESSAVG: 160400 22.91 -87.7271 40.6759 -89.6934 4.84763 -38.2484 40.4324 -40.2561 -8.20752 TIMING: 160400 CPU: 509.894, 0.00324478/step Wall: 509.894, 0.00324478/step, 4.36206 hours remaining, 229.304688 MB of memory in use. ENERGY: 160400 3903.4090 20705.7447 14519.9328 235.1424 -203867.9659 2618.3143 0.0000 0.0000 52199.3154 -109686.1074 299.9902 -161885.4228 -109323.4955 299.3879 -37.9310 -11.5116 759794.3591 6.4424 6.5167 PRESSURE: 160600 79.1449 -34.4363 192.781 -34.4362 -18.5072 -206.808 192.78 -206.807 249.175 GPRESSURE: 160600 93.4842 -46.4124 73.0708 34.1817 49.3945 -218.278 198.351 -82.0011 238.34 PRESSAVG: 160600 -0.876503 -75.1785 37.2253 -75.1785 -4.4777 -43.7927 37.2253 -43.7927 26.0131 GPRESSAVG: 160600 -1.73234 -77.5064 35.7704 -74.8172 -3.29496 -45.1314 38.3207 -39.2377 25.6697 TIMING: 160600 CPU: 510.528, 0.00316681/step Wall: 510.528, 0.00316681/step, 4.25707 hours remaining, 229.507812 MB of memory in use. ENERGY: 160600 3971.0669 20430.9405 14471.5924 228.3885 -203569.1019 2691.2550 0.0000 0.0000 51993.9821 -109781.8764 298.8101 -161775.8585 -109421.6715 298.8526 103.2710 127.0730 760386.4982 6.8863 6.8808 PRESSURE: 160800 -264.453 -99.0048 97.6091 -99.0047 -71.5499 344.682 97.6093 344.682 -143.877 GPRESSURE: 160800 -180.553 -63.8075 29.4201 -87.2299 1.90879 324.388 -13.4077 242.057 -222.473 PRESSAVG: 160800 21.2964 -15.684 -31.7646 -15.6841 3.61282 31.2835 -31.7646 31.2835 4.10076 GPRESSAVG: 160800 21.8089 -13.7452 -30.9487 -14.9334 2.73905 31.6268 -34.1895 28.714 4.75354 TIMING: 160800 CPU: 511.157, 0.00314602/step Wall: 511.157, 0.00314602/step, 4.22895 hours remaining, 229.507812 MB of memory in use. ENERGY: 160800 3990.4039 20534.9964 14499.5150 236.5655 -203176.4794 2021.8336 0.0000 0.0000 52069.4497 -109823.7154 299.2438 -161893.1651 -109464.7056 298.4179 -159.9599 -133.7055 760982.0483 9.6700 9.7672 PRESSURE: 161000 407.687 -139.748 -102.756 -139.749 -88.5648 98.2894 -102.756 98.2885 -86.9914 GPRESSURE: 161000 431.428 -201.796 -92.3951 -169.709 -6.79457 66.7973 -69.971 160.809 -112.041 PRESSAVG: 161000 -5.05655 -42.0441 1.91176 -42.0441 -30.2755 10.7845 1.91171 10.7845 16.1065 GPRESSAVG: 161000 -5.68315 -45.1747 0.29663 -41.8687 -30.494 11.6782 4.86746 11.0185 16.8729 TIMING: 161000 CPU: 511.789, 0.00315825/step Wall: 511.789, 0.00315825/step, 4.24521 hours remaining, 229.507812 MB of memory in use. ENERGY: 161000 3977.7466 20416.2894 14485.6805 252.9488 -203788.2731 2566.9508 0.0000 0.0000 52192.2724 -109896.3846 299.9497 -162088.6570 -109530.1704 298.3939 77.3769 104.1972 759690.9881 -6.4085 -6.4347 PRESSURE: 161200 -36.6436 89.3659 -3.72599 89.3652 253.332 -175.196 -3.72544 -175.195 34.9809 GPRESSURE: 161200 64.6402 14.8706 34.3656 244.806 252.41 -182.062 -35.037 -104.401 17.3888 PRESSAVG: 161200 70.3334 -17.3332 -26.3566 -17.3331 -82.3619 -63.7936 -26.3565 -63.7937 -30.4541 GPRESSAVG: 161200 70.8837 -15.3808 -25.8331 -17.6269 -82.2336 -64.5441 -24.7636 -62.8638 -30.9649 TIMING: 161200 CPU: 512.421, 0.00316245/step Wall: 512.421, 0.00316245/step, 4.25068 hours remaining, 229.507812 MB of memory in use. ENERGY: 161200 3976.6166 20601.9895 14505.8726 238.7971 -203498.8898 2560.7804 0.0000 0.0000 51977.7014 -109637.1322 298.7166 -161614.8335 -109287.6590 298.2061 83.8897 111.4798 761047.8545 -14.1609 -14.1049 PRESSURE: 161400 251.55 -48.3799 -109.395 -48.3804 51.6026 -85.3508 -109.394 -85.3507 104.705 GPRESSURE: 161400 217.758 15.2295 -171.034 -90.1952 161.202 -52.5749 -174.018 -169.225 132.723 PRESSAVG: 161400 14.4663 -51.6147 -2.64347 -51.6146 16.723 -26.1218 -2.64356 -26.1219 23.0265 GPRESSAVG: 161400 14.5214 -52.237 -2.51415 -50.1717 17.0001 -24.8118 -4.24567 -26.7766 22.9459 TIMING: 161400 CPU: 513.051, 0.00315125/step Wall: 513.051, 0.00315125/step, 4.23545 hours remaining, 229.507812 MB of memory in use. ENERGY: 161400 4040.5739 20521.4852 14509.7128 242.5597 -203452.8584 2757.3902 0.0000 0.0000 51595.1464 -109785.9902 296.5180 -161381.1366 -109432.5156 298.7906 135.9526 170.5610 761020.4196 18.0719 18.1558 PRESSURE: 161600 12.072 118.311 46.3264 118.312 -23.537 110.638 46.3265 110.638 -359.751 GPRESSURE: 161600 65.9335 63.2526 -1.30955 115.226 -57.0941 96.0263 150.282 43.9928 -266.59 PRESSAVG: 161600 41.4635 -11.7625 -18.8728 -11.7626 -20.1719 -46.1916 -18.8727 -46.1916 3.32342 GPRESSAVG: 161600 40.777 -11.2242 -19.8892 -13.9477 -18.8817 -46.0043 -17.2951 -46.5304 2.88988 TIMING: 161600 CPU: 513.68, 0.00314398/step Wall: 513.68, 0.00314398/step, 4.2255 hours remaining, 229.507812 MB of memory in use. ENERGY: 161600 4061.9638 20559.2455 14500.1563 249.6218 -203390.0353 2300.3383 0.0000 0.0000 51941.7548 -109776.9547 298.5100 -161718.7095 -109422.7588 299.1657 -123.7386 -85.9169 761222.8334 8.2050 8.2617 PRESSURE: 161800 -247.32 108.186 -45.714 108.186 91.2152 48.3317 -45.7139 48.3333 6.55774 GPRESSURE: 161800 -211.198 130.512 33.2884 78.3526 129.842 1.07968 19.5726 10.1102 30.2538 PRESSAVG: 161800 -7.14998 -33.6904 33.8986 -33.6904 -6.06524 -33.7392 33.8987 -33.7392 0.240834 GPRESSAVG: 161800 -6.32149 -32.461 34.8404 -31.9758 -6.43907 -34.4358 32.3183 -33.6233 0.401768 TIMING: 161800 CPU: 514.308, 0.00313959/step Wall: 514.308, 0.00313959/step, 4.21944 hours remaining, 229.507812 MB of memory in use. ENERGY: 161800 4043.6614 20568.8542 14393.2413 239.4896 -203652.5674 2560.0888 0.0000 0.0000 52017.0213 -109830.2108 298.9425 -161847.2321 -109472.4791 298.6449 -49.8491 -17.0342 759606.6746 -4.3248 -4.1196 PRESSURE: 162000 -162.789 -169.698 -16.1412 -169.698 -531.571 -10.0532 -16.1411 -10.0527 173.852 GPRESSURE: 162000 -105.183 -176.929 12.1654 -68.0856 -522.81 29.1213 -61.1515 -21.6986 192.219 PRESSAVG: 162000 42.8778 -13.8119 -53.0095 -13.8119 -14.7457 -13.2007 -53.0095 -13.2007 -11.9499 GPRESSAVG: 162000 43.1232 -13.7841 -51.3839 -14.1095 -15.5596 -12.7585 -52.5951 -13.3328 -11.5573 TIMING: 162000 CPU: 514.942, 0.00316776/step Wall: 514.942, 0.00316776/step, 4.25712 hours remaining, 229.507812 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: 162000 3948.8010 20652.3505 14424.5452 242.4978 -203299.8786 2510.0792 0.0000 0.0000 51746.2017 -109775.4032 297.3861 -161521.6049 -109426.6877 298.4735 -173.5028 -145.2579 761280.5787 5.3941 5.3354 PRESSURE: 162200 206.303 -89.6921 390.366 -89.6927 106.638 128.315 390.366 128.315 216.173 GPRESSURE: 162200 327.31 -34.7137 327.299 -89.9817 124.858 156.147 382.065 138.419 173.022 PRESSAVG: 162200 66.5116 -48.8306 9.77911 -48.8306 -46.5264 51.1813 9.77913 51.1812 1.9457 GPRESSAVG: 162200 65.8528 -50.1208 9.21378 -47.9792 -46.1752 50.8558 9.81119 51.2867 1.91172 TIMING: 162200 CPU: 515.573, 0.00315945/step Wall: 515.573, 0.00315945/step, 4.24577 hours remaining, 229.507812 MB of memory in use. ENERGY: 162200 3919.3907 20516.7981 14494.1460 229.3785 -203664.0536 2561.1280 0.0000 0.0000 52156.1340 -109787.0783 299.7420 -161943.2123 -109431.7034 298.8536 176.3714 208.3968 759973.0397 7.3103 7.1964 PRESSURE: 162400 123.167 -149.986 -52.1552 -149.985 -117.517 -177.014 -52.1551 -177.013 -287.018 GPRESSURE: 162400 159.817 -45.0775 -8.52307 -220.505 -66.0634 -123.669 -30.0257 -158 -296.715 PRESSAVG: 162400 38.7746 12.3022 69.0332 12.3022 -38.9401 12.6216 69.0332 12.6216 -26.3832 GPRESSAVG: 162400 38.7864 12.8827 66.8336 11.6736 -38.3688 12.6033 69.9989 11.8486 -26.746 TIMING: 162400 CPU: 516.201, 0.00313732/step Wall: 516.201, 0.00313732/step, 4.21586 hours remaining, 229.507812 MB of memory in use. ENERGY: 162400 4051.7340 20577.9147 14378.8351 258.4262 -203519.2329 2565.2796 0.0000 0.0000 51981.1092 -109705.9341 298.7361 -161687.0433 -109341.5039 299.2880 -93.7892 -67.6538 760902.6896 -8.8496 -8.7761 PRESSURE: 162600 129.001 -15.1022 113.865 -15.1023 -18.7986 -19.8355 113.866 -19.8364 177.874 GPRESSURE: 162600 188.447 -150.942 93.0397 -9.83303 -60.751 -84.3178 -44.8556 -2.16432 230.537 PRESSAVG: 162600 49.8532 -52.1824 2.30644 -52.1824 -66.5253 31.7319 2.30649 31.7319 18.4029 GPRESSAVG: 162600 50.4133 -53.3086 3.37733 -52.0642 -68.1829 30.722 -0.143594 33.6753 19.075 TIMING: 162600 CPU: 516.834, 0.00316544/step Wall: 516.834, 0.00316544/step, 4.25347 hours remaining, 229.507812 MB of memory in use. ENERGY: 162600 4025.8571 20499.4200 14534.8467 236.4856 -203463.5915 2538.9586 0.0000 0.0000 51985.4137 -109642.6099 298.7609 -161628.0236 -109284.1755 298.6016 96.0254 119.4108 759396.4656 0.5769 0.4352 PRESSURE: 162800 140.942 -228.316 100.135 -228.316 -118.49 -75.6198 100.134 -75.6199 -340.826 GPRESSURE: 162800 179.526 -255.473 48.3768 -161.414 -98.1272 -29.2548 35.2212 -204.734 -337.876 PRESSAVG: 162800 64.5842 -79.5354 33.9787 -79.5354 -28.0738 -14.4928 33.9787 -14.4928 7.47763 GPRESSAVG: 162800 64.7328 -78.7567 34.858 -79.9249 -27.907 -13.8112 33.9971 -16.1999 7.24822 TIMING: 162800 CPU: 517.463, 0.00314715/step Wall: 517.463, 0.00314715/step, 4.22872 hours remaining, 229.507812 MB of memory in use. ENERGY: 162800 4026.0348 20454.0953 14402.8564 259.7913 -203893.0610 2856.8151 0.0000 0.0000 52109.9620 -109783.5061 299.4767 -161893.4681 -109416.0574 299.1610 -106.1245 -85.4924 760161.5409 14.6627 14.6914 PRESSURE: 163000 187.025 -308.063 170.819 -308.063 -104.368 -64.2466 170.819 -64.2473 -170.025 GPRESSURE: 163000 103.832 -302.124 139.757 -202.79 -16.9411 -106.972 262.152 -133.159 -102.567 PRESSAVG: 163000 33.1703 -98.5523 11.8816 -98.5524 -11.2759 42.509 11.8815 42.509 -19.3026 GPRESSAVG: 163000 31.5854 -99.0807 10.8523 -97.1772 -9.59857 41.2794 13.4289 44.79 -19.1755 TIMING: 163000 CPU: 518.096, 0.00316216/step Wall: 518.096, 0.00316216/step, 4.24872 hours remaining, 229.507812 MB of memory in use. ENERGY: 163000 3992.0530 20566.4541 14381.3657 233.0551 -203588.7273 2584.4075 0.0000 0.0000 52048.1968 -109783.1951 299.1217 -161831.3919 -109420.7349 299.0757 -29.1226 -5.2252 759316.9081 0.8640 0.9371 PRESSURE: 163200 -238.992 101.781 -105.936 101.781 -171.505 113.592 -105.937 113.592 -24.3197 GPRESSURE: 163200 -123.443 77.9335 -52.5429 82.8342 -155.804 55.2649 -123.251 118.092 -85.8194 PRESSAVG: 163200 6.3504 -39.4239 32.418 -39.4239 -36.8148 25.8524 32.418 25.8525 20.7505 GPRESSAVG: 163200 6.83156 -38.2588 33.8677 -39.0819 -37.3157 25.7636 32.9864 24.9339 20.1769 TIMING: 163200 CPU: 518.73, 0.00316839/step Wall: 518.73, 0.00316839/step, 4.25691 hours remaining, 229.507812 MB of memory in use. ENERGY: 163200 3979.3289 20657.7061 14436.9885 229.6104 -203339.2782 2517.5291 0.0000 0.0000 51942.5214 -109575.5938 298.5144 -161518.1152 -109216.7129 298.6867 -144.9389 -121.6886 761483.7549 -3.2380 -3.4357 PRESSURE: 163400 121.984 -139.541 139.624 -139.54 170.231 17.2773 139.624 17.2766 33.9326 GPRESSURE: 163400 192.379 -158.226 151.47 -93.7869 216.689 88.567 192.342 -61.2872 0.768691 PRESSAVG: 163400 -46.307 -65.5764 17.7025 -65.5764 -0.265847 -4.81486 17.7025 -4.81488 24.429 GPRESSAVG: 163400 -46.9259 -68.1707 16.0339 -66.8449 0.740865 -4.17882 17.0246 -4.30736 24.2593 TIMING: 163400 CPU: 519.362, 0.00316019/step Wall: 519.362, 0.00316019/step, 4.24572 hours remaining, 229.507812 MB of memory in use. ENERGY: 163400 4046.9390 20460.7536 14462.4250 253.7523 -203633.9567 2648.4958 0.0000 0.0000 52255.0072 -109506.5839 300.3102 -161761.5911 -109138.8774 298.7677 108.7159 136.6122 759928.3576 -7.3813 -7.3086 PRESSURE: 163600 237.923 -125.077 93.4797 -125.076 10.6686 75.107 93.4802 75.1072 -268.069 GPRESSURE: 163600 195.065 -5.96222 116.442 -133.793 75.8899 39.5891 98.3068 68.405 -214.756 PRESSAVG: 163600 5.05045 -56.1793 37.6916 -56.1793 6.87112 -18.488 37.6916 -18.4881 -8.96698 GPRESSAVG: 163600 4.1063 -53.6394 37.6515 -55.5586 6.6456 -17.6176 38.119 -20.5228 -8.10529 TIMING: 163600 CPU: 519.992, 0.00315135/step Wall: 519.992, 0.00315135/step, 4.23367 hours remaining, 229.511719 MB of memory in use. ENERGY: 163600 4000.6541 20765.4494 14394.0621 238.6677 -203970.2274 3080.6845 0.0000 0.0000 52220.1798 -109270.5299 300.1101 -161490.7097 -108912.3364 299.6814 -6.4927 18.7329 760028.4587 0.9849 0.8822 PRESSURE: 163800 18.9731 -128.619 -78.7641 -128.619 -38.6164 -28.3952 -78.7644 -28.3938 -6.50141 GPRESSURE: 163800 68.758 -134.98 -138.058 -118.178 13.8551 -74.9786 -14.5036 -46.2625 -50.9869 PRESSAVG: 163800 16.658 -36.4629 -9.9087 -36.4629 28.0423 8.54861 -9.90871 8.54869 11.4723 GPRESSAVG: 163800 18.1507 -35.0764 -10.9093 -39.0895 27.1213 8.12879 -9.46083 10.2431 10.9688 TIMING: 163800 CPU: 520.628, 0.00318316/step Wall: 520.628, 0.00318316/step, 4.27622 hours remaining, 229.511719 MB of memory in use. ENERGY: 163800 4057.1183 20579.6263 14445.4373 239.6594 -203455.5252 2635.7188 0.0000 0.0000 52154.3764 -109343.5886 299.7319 -161497.9650 -108980.1740 300.0296 -8.7149 10.5421 761726.6482 18.7242 18.7470 PRESSURE: 164000 -208.198 -74.3453 -96.9297 -74.346 -7.79884 149.519 -96.9296 149.518 137.407 GPRESSURE: 164000 -185.152 -106.543 -82.5294 -10.6013 69.8258 149.347 -142.302 164.177 124.072 PRESSAVG: 164000 3.33269 -90.3963 1.02633 -90.3964 -40.561 -5.15249 1.02633 -5.15253 -5.11665 GPRESSAVG: 164000 3.26526 -93.691 1.50075 -87.1669 -40.4212 -4.56785 0.862376 -6.33325 -4.82495 TIMING: 164000 CPU: 521.264, 0.00317926/step Wall: 521.264, 0.00317926/step, 4.27081 hours remaining, 229.511719 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: 164000 4078.9422 20543.0358 14542.2469 234.7607 -203494.9476 2543.6207 0.0000 0.0000 52161.2346 -109391.1067 299.7713 -161552.3413 -109023.0763 299.8209 -26.1965 2.9150 760536.0091 -14.1150 -13.9936 PRESSURE: 164200 -292.695 52.0996 -86.9259 52.0999 -52.9862 8.53251 -86.9254 8.53255 -31.1247 GPRESSURE: 164200 -178.236 8.62412 -45.7068 -7.13142 -54.7874 -173.027 -79.4722 132.679 -67.3508 PRESSAVG: 164200 8.4767 -75.4425 -22.0925 -75.4425 33.179 40.3283 -22.0925 40.3282 9.26897 GPRESSAVG: 164200 9.46332 -74.8221 -22.7739 -76.6763 32.6018 38.8319 -23.0873 41.8815 8.21618 TIMING: 164200 CPU: 521.898, 0.00317052/step Wall: 521.898, 0.00317052/step, 4.25889 hours remaining, 229.511719 MB of memory in use. ENERGY: 164200 4072.6122 20600.9950 14439.0199 259.5883 -203136.9551 2345.2621 0.0000 0.0000 52069.3679 -109350.1096 299.2434 -161419.4776 -108985.8600 299.6141 -125.6021 -100.1249 761293.6161 16.9749 16.7604 LDB: ============= START OF LOAD BALANCING ============== 534.321 LDB: ============== END OF LOAD BALANCING =============== 534.321 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 534.323 LDB: ============= START OF LOAD BALANCING ============== 534.638 LDB: Largest compute 7066 load 0.034938 is 17.9% of average load 0.194914 LDB: Average compute 0.004399 is 2.3% of average load 0.194914 LDB: TIME 534.642 LOAD: AVG 0.194914 MAX 0.218786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.852 MB LDB: TIME 534.642 LOAD: AVG 0.194914 MAX 0.218786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.855 MB LDB: TIME 534.642 LOAD: AVG 0.194914 MAX 0.212003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.855 MB LDB: ============== END OF LOAD BALANCING =============== 534.645 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 534.65 PRESSURE: 164400 -55.4856 83.5645 7.94045 83.5645 216.318 264.551 7.94067 264.55 60.8255 GPRESSURE: 164400 65.6543 190.931 -6.57971 -35.7876 164.341 168.646 119.085 95.768 80.1321 PRESSAVG: 164400 -80.9163 -55.1589 13.7882 -55.1589 91.1877 23.8116 13.7883 23.8116 -2.55562 GPRESSAVG: 164400 -82.5786 -54.9851 13.9029 -54.669 92.8803 24.9276 16.5032 24.0406 -2.10103 TIMING: 164400 CPU: 522.543, 0.00322448/step Wall: 522.543, 0.00322448/step, 4.33119 hours remaining, 228.093750 MB of memory in use. ENERGY: 164400 4067.1889 20565.7271 14477.6202 235.1890 -202967.4966 2280.9770 0.0000 0.0000 52239.5029 -109101.2916 300.2211 -161340.7945 -108740.0362 299.9007 73.8859 103.3757 759737.4973 2.5720 2.7336 PRESSURE: 164600 127.018 -48.8646 151.287 -48.8645 34.2892 60.566 151.287 60.566 -227.415 GPRESSURE: 164600 205.314 -52.7703 170.83 -110.057 81.6575 10.8282 178.505 2.04816 -253.733 PRESSAVG: 164600 -28.324 -83.949 30.1022 -83.949 79.3469 21.0867 30.1022 21.0867 11.3106 GPRESSAVG: 164600 -27.6187 -82.9398 31.5217 -83.0362 78.9753 21.4047 26.4226 17.2479 11.3214 TIMING: 164600 CPU: 523.171, 0.00313691/step Wall: 523.171, 0.00313691/step, 4.21339 hours remaining, 228.093750 MB of memory in use. ENERGY: 164600 3970.1210 20598.6823 14548.8377 249.1974 -203650.8060 2678.6943 0.0000 0.0000 52125.4032 -109479.8700 299.5654 -161605.2732 -109099.9110 299.7987 -22.0360 11.0794 759711.8382 20.7778 20.8926 PRESSURE: 164800 -142.269 -152.831 -28.0279 -152.831 -212.135 -216.289 -28.0279 -216.289 -348.398 GPRESSURE: 164800 -63.1383 -202.855 -162.978 -88.738 -172.841 -245.302 118.003 -85.1031 -385.284 PRESSAVG: 164800 -42.7321 -103.918 -8.7607 -103.918 32.1233 -28.2581 -8.76072 -28.258 -5.51593 GPRESSAVG: 164800 -44.1458 -104.298 -9.77848 -102.231 32.7846 -30.045 -4.4244 -25.5463 -4.34681 TIMING: 164800 CPU: 523.802, 0.00315777/step Wall: 523.802, 0.00315777/step, 4.24123 hours remaining, 228.093750 MB of memory in use. ENERGY: 164800 4051.1880 20601.3849 14420.6424 258.0073 -203277.9906 2535.1274 0.0000 0.0000 52067.6597 -109343.9809 299.2336 -161411.6406 -108985.2031 299.6597 -234.2670 -207.0878 762063.7778 -5.3749 -5.2360 PRESSURE: 165000 4.14756 -43.2232 -121.859 -43.2228 -223.054 24.9957 -121.859 24.9957 -56.2552 GPRESSURE: 165000 -29.0085 7.53103 -232.335 -51.6061 -134.335 -65.5596 -183.514 -161.637 -36.0029 PRESSAVG: 165000 -75.9629 -97.0902 -17.3077 -97.0902 48.7631 -29.378 -17.3077 -29.3781 35.8008 GPRESSAVG: 165000 -74.338 -97.44 -16.5272 -97.0295 48.1037 -27.7281 -22.0968 -28.6413 35.1962 TIMING: 165000 CPU: 524.438, 0.0031796/step Wall: 524.438, 0.0031796/step, 4.27037 hours remaining, 228.093750 MB of memory in use. ENERGY: 165000 3959.2077 20731.4663 14489.4554 253.2878 -203053.7089 2442.7329 0.0000 0.0000 52128.6920 -109048.8668 299.5843 -161177.5588 -108682.2518 299.4371 -91.7205 -66.4488 762585.3196 2.8670 2.9873 PRESSURE: 165200 -101.522 -39.3607 26.1187 -39.3616 -259.215 -160.466 26.1181 -160.466 38.8745 GPRESSURE: 165200 -77.1847 -86.4154 87.9917 -41.403 -159.345 -125.589 7.51793 -140.558 10.1065 PRESSAVG: 165200 -23.5055 -64.8706 7.75973 -64.8705 49.6387 -80.2601 7.75983 -80.2602 2.33226 GPRESSAVG: 165200 -24.7325 -66.3385 6.40775 -65.4038 51.4045 -81.0295 9.39537 -81.9944 1.86124 TIMING: 165200 CPU: 525.067, 0.00314645/step Wall: 525.067, 0.00314645/step, 4.22569 hours remaining, 228.093750 MB of memory in use. ENERGY: 165200 4025.1850 20615.1458 14419.6878 231.5674 -203365.8513 2640.6466 0.0000 0.0000 52146.0825 -109287.5362 299.6843 -161433.6187 -108919.2288 300.1516 -107.2874 -75.4743 760749.2079 9.4885 9.5111 PRESSURE: 165400 168.332 -100.821 49.9644 -100.821 108.611 132.42 49.9637 132.421 56.5134 GPRESSURE: 165400 107.839 -96.2455 36.1911 -41.5168 180.105 126.195 9.57666 96.737 138.939 PRESSAVG: 165400 -42.1272 -37.2197 -16.5731 -37.2197 48.5194 -20.2065 -16.5731 -20.2065 26.5002 GPRESSAVG: 165400 -40.7285 -35.9021 -15.9061 -38.5586 46.9367 -20.5631 -15.0963 -20.7805 26.8747 TIMING: 165400 CPU: 525.698, 0.00315171/step Wall: 525.698, 0.00315171/step, 4.23257 hours remaining, 228.093750 MB of memory in use. ENERGY: 165400 3949.6815 20569.2776 14414.0158 237.2449 -203565.6140 2709.5941 0.0000 0.0000 51998.7983 -109687.0018 298.8378 -161685.8001 -109320.0871 299.5474 111.1521 142.2942 759642.0512 10.9642 11.0276 PRESSURE: 165600 -309.637 -167.277 -199.926 -167.277 130.95 82.6013 -199.925 82.601 70.5819 GPRESSURE: 165600 -276.066 -72.8111 -244.197 -171.777 144.707 146.775 -182.695 6.1334 127.244 PRESSAVG: 165600 -15.7405 -87.9778 -1.33908 -87.9778 39.2949 -51.6103 -1.339 -51.6102 -12.0805 GPRESSAVG: 165600 -17.0567 -88.5254 -1.16591 -87.1954 39.9125 -50.8059 -1.80852 -48.3253 -11.2613 TIMING: 165600 CPU: 526.336, 0.00319266/step Wall: 526.336, 0.00319266/step, 4.28739 hours remaining, 228.093750 MB of memory in use. ENERGY: 165600 4016.2726 20386.3374 14474.1861 277.8412 -203693.0490 2499.6909 0.0000 0.0000 52321.1284 -109717.5923 300.6902 -162038.7207 -109350.7701 298.9592 -36.0353 -1.3712 758744.3312 3.8246 3.8648 PRESSURE: 165800 372.445 -90.374 -12.1733 -90.3744 183.872 209.677 -12.1734 209.677 144.597 GPRESSURE: 165800 361.157 -85.3132 71.5668 -82.4041 286.251 148.482 -128.297 -14.5236 122.491 PRESSAVG: 165800 -36.6014 -59.4584 48.1599 -59.4585 91.2568 -45.9608 48.1599 -45.9608 -13.2747 GPRESSAVG: 165800 -33.8286 -59.1353 48.3125 -58.106 91.1973 -44.7747 48.997 -50.4535 -15.7946 TIMING: 165800 CPU: 526.975, 0.00319444/step Wall: 526.975, 0.00319444/step, 4.28961 hours remaining, 228.093750 MB of memory in use. ENERGY: 165800 3991.4497 20527.3030 14457.0758 241.4147 -204088.3310 2804.4333 0.0000 0.0000 52274.2941 -109792.3603 300.4211 -162066.6544 -109412.9603 299.0543 233.6382 256.6331 757072.8254 13.7936 13.8580 PRESSURE: 166000 -128.922 -139.439 28.4195 -139.437 -115.698 -11.0406 28.42 -11.0411 263.936 GPRESSURE: 166000 -106.839 -220.895 18.0129 -24.9517 -35.9986 -68.9414 9.29367 -112.459 259.455 PRESSAVG: 166000 -17.3685 -52.9666 33.0871 -52.9665 45.0115 -58.1133 33.087 -58.1133 -3.23394 GPRESSAVG: 166000 -20.1133 -53.2117 32.2059 -52.8632 45.3862 -57.4833 31.9949 -57.5247 -1.46765 TIMING: 166000 CPU: 527.611, 0.00317934/step Wall: 527.611, 0.00317934/step, 4.26914 hours remaining, 228.093750 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: 166000 3969.0520 20598.6260 14358.7229 233.1554 -203369.6651 2340.6897 0.0000 0.0000 51995.4863 -109873.9328 298.8188 -161869.4191 -109510.7265 298.6782 6.4387 38.8726 758366.1769 8.1364 7.9351 PRESSURE: 166200 -383.806 115.303 209.057 115.302 39.1156 163.893 209.057 163.895 -348.747 GPRESSURE: 166200 -318.284 158.199 167.211 105.134 43.409 128.492 105.257 239.812 -337.294 PRESSAVG: 166200 -15.7018 -46.3792 -33.887 -46.3792 1.64532 18.3525 -33.887 18.3525 7.25333 GPRESSAVG: 166200 -14.1916 -47.3685 -32.6889 -47.311 0.17626 16.0734 -34.9097 21.4931 6.60329 TIMING: 166200 CPU: 528.244, 0.00316221/step Wall: 528.244, 0.00316221/step, 4.24597 hours remaining, 228.093750 MB of memory in use. ENERGY: 166200 3986.1944 20673.4279 14427.5473 246.7099 -203457.2870 2597.2778 0.0000 0.0000 51647.2168 -109878.9129 296.8173 -161526.1297 -109530.3868 298.0003 -231.1460 -204.0564 761428.3499 -2.2677 -2.4707 PRESSURE: 166400 160.095 -254.802 -137.49 -254.801 -260.172 190.992 -137.49 190.991 -374.306 GPRESSURE: 166400 160.331 -355.733 -182.675 -154.806 -269.191 220.734 -92.0266 220.943 -281.22 PRESSAVG: 166400 -11.4394 -99.3814 2.92042 -99.3814 55.7516 -38.112 2.92038 -38.1119 -1.80241 GPRESSAVG: 166400 -11.5102 -97.802 3.96728 -100.891 56.1807 -38.4172 3.68273 -38.8187 -1.78414 TIMING: 166400 CPU: 528.873, 0.00314634/step Wall: 528.873, 0.00314634/step, 4.22448 hours remaining, 228.093750 MB of memory in use. ENERGY: 166400 3909.8528 20586.4056 14466.6071 250.8341 -203074.7205 2265.1092 0.0000 0.0000 51867.4068 -109728.5049 298.0827 -161595.9117 -109361.8520 298.5722 -158.1278 -130.0267 757411.1678 14.1699 14.2954 PRESSURE: 166600 -76.321 -118.298 202.396 -118.298 -40.3232 48.6223 202.397 48.6228 -35.7259 GPRESSURE: 166600 -49.9617 -154.225 116.063 -90.1426 27.3705 120.38 127.132 -142.671 -56.4011 PRESSAVG: 166600 -23.7361 -108.913 -32.9838 -108.912 69.8698 -14.1294 -32.9838 -14.1293 11.7355 GPRESSAVG: 166600 -23.1383 -111.132 -34.8001 -109.791 69.1829 -13.4131 -33.9865 -14.7734 10.8935 TIMING: 166600 CPU: 529.505, 0.00315882/step Wall: 529.505, 0.00315882/step, 4.24107 hours remaining, 228.093750 MB of memory in use. ENERGY: 166600 3911.6423 20516.2087 14465.3463 264.2865 -203580.2664 2666.1790 0.0000 0.0000 51953.6759 -109802.9277 298.5785 -161756.6036 -109451.4771 299.0752 -50.7900 -26.3308 758413.6347 19.2897 18.9794 PRESSURE: 166800 69.0164 65.144 -2.64912 65.1439 434.132 -66.851 -2.64828 -66.8502 -85.4495 GPRESSURE: 166800 199.329 77.9176 0.84626 180.458 416.212 -106.121 14.7488 -77.457 -108.012 PRESSAVG: 166800 -16.9664 -56.831 -42.6088 -56.831 58.7422 51.1443 -42.6088 51.1443 16.4378 GPRESSAVG: 166800 -18.9067 -53.2894 -41.0748 -56.5789 59.8113 50.6008 -43.3975 49.2148 17.1952 TIMING: 166800 CPU: 530.136, 0.00315834/step Wall: 530.136, 0.00315834/step, 4.24025 hours remaining, 228.093750 MB of memory in use. ENERGY: 166800 4003.8445 20464.9736 14511.2125 235.9078 -203499.8062 2480.4051 0.0000 0.0000 51957.5680 -109845.8947 298.6009 -161803.4627 -109485.0046 298.9172 139.2329 169.1765 759624.1746 19.4045 19.3666 PRESSURE: 167000 -22.7877 -129.511 -187.385 -129.512 230.288 -102.143 -187.385 -102.143 80.5973 GPRESSURE: 167000 -20.5644 -79.0094 -196.293 -181.547 211.373 -99.49 -60.8266 9.99957 182.37 PRESSAVG: 167000 -60.6063 -92.9707 -37.7859 -92.9706 105.577 1.25742 -37.7859 1.25743 31.8144 GPRESSAVG: 167000 -60.2781 -94.3969 -37.6056 -92.9492 104.505 1.17478 -36.0002 2.57666 32.3903 TIMING: 167000 CPU: 530.772, 0.00317772/step Wall: 530.772, 0.00317772/step, 4.26609 hours remaining, 228.093750 MB of memory in use. ENERGY: 167000 4021.7753 20475.8409 14494.4216 237.0445 -203750.6112 2878.9963 0.0000 0.0000 51771.8868 -109870.6458 297.5337 -161642.5327 -109520.7166 298.3614 96.0326 124.3929 759403.9731 25.5949 25.5390 PRESSURE: 167200 -421.831 -147.613 -128.897 -147.614 -402.264 34.486 -128.896 34.4849 -241.947 GPRESSURE: 167200 -444.372 -148.012 -72.331 -167.822 -322.589 23.08 -115.23 29.3583 -215.885 PRESSAVG: 167200 -48.5614 -84.5613 5.21138 -84.5613 10.0172 -8.01052 5.21135 -8.01056 -16.1403 GPRESSAVG: 167200 -49.0706 -86.5219 4.86576 -82.6266 10.1991 -7.87101 5.42906 -8.44564 -15.4261 TIMING: 167200 CPU: 531.405, 0.00316737/step Wall: 531.405, 0.00316737/step, 4.25202 hours remaining, 228.093750 MB of memory in use. ENERGY: 167200 3859.0743 20567.2623 14448.9406 239.6103 -203207.4424 2357.0096 0.0000 0.0000 52044.3339 -109691.2114 299.0995 -161735.5453 -109332.9048 298.7144 -355.3471 -327.6154 761929.5265 -18.2282 -18.0992 PRESSURE: 167400 55.8365 -199.668 -131.838 -199.669 -26.0434 -246.877 -131.837 -246.877 30.8801 GPRESSURE: 167400 127.301 -172.627 -146.673 -213.815 -47.0513 -165.995 -62.3497 -201.978 65.9757 PRESSAVG: 167400 -8.52935 -12.6823 -1.01415 -12.6822 -8.86384 -37.9035 -1.0142 -37.9035 23.7385 GPRESSAVG: 167400 -7.72756 -11.9228 -2.6015 -13.7911 -9.65127 -37.8282 -0.957546 -37.8764 23.6949 TIMING: 167400 CPU: 532.044, 0.00319414/step Wall: 532.044, 0.00319414/step, 4.28778 hours remaining, 228.093750 MB of memory in use. ENERGY: 167400 3975.6136 20495.5137 14415.2341 234.0844 -203759.7701 2802.7141 0.0000 0.0000 52105.9552 -109730.6550 299.4536 -161836.6102 -109360.0672 299.4254 20.2244 48.7419 760281.2031 2.1151 2.1054 PRESSURE: 167600 -81.8858 -109.108 269.631 -109.107 -94.353 -83.6174 269.631 -83.6168 53.0611 GPRESSURE: 167600 -1.49648 -72.6132 268.793 -144.463 -93.3235 -154.803 203.377 -97.3172 29.4065 PRESSAVG: 167600 -8.54646 -40.7219 45.3813 -40.722 -58.2091 -59.5218 45.3813 -59.5218 -12.6848 GPRESSAVG: 167600 -8.53135 -43.083 47.104 -39.3134 -57.2408 -59.3835 42.5966 -59.3621 -13.8917 TIMING: 167600 CPU: 532.683, 0.00319374/step Wall: 532.683, 0.00319374/step, 4.28706 hours remaining, 228.093750 MB of memory in use. ENERGY: 167600 3898.4889 20532.5598 14453.4560 260.1597 -203421.2451 2440.3152 0.0000 0.0000 52023.4483 -109812.8173 298.9795 -161836.2656 -109458.2656 298.6040 -41.0592 -21.8045 762436.5633 -26.4801 -26.5546 PRESSURE: 167800 -99.3414 102.122 85.4799 102.122 63.3364 261.728 85.4801 261.729 -167.213 GPRESSURE: 167800 -113.372 151.719 114.677 141.379 177.494 309.186 19.6697 115.776 -172.599 PRESSAVG: 167800 27.6786 -6.88935 61.6827 -6.88936 -28.7304 -6.95813 61.6828 -6.95806 -1.69737 GPRESSAVG: 167800 28.7122 -7.43507 61.7046 -5.99054 -29.6144 -7.30673 63.704 -8.7205 -1.15727 TIMING: 167800 CPU: 533.317, 0.00316865/step Wall: 533.317, 0.00316865/step, 4.25321 hours remaining, 228.093750 MB of memory in use. ENERGY: 167800 4019.7011 20370.0529 14448.7791 266.4667 -203240.7238 2424.7307 0.0000 0.0000 51974.6026 -109736.3906 298.6988 -161710.9932 -109366.0297 298.4532 -67.7394 -36.1590 761604.4318 -0.9164 -0.6865 PRESSURE: 168000 -87.7049 -188.182 13.4642 -188.181 -128.107 25.0688 13.4637 25.068 -229.075 GPRESSURE: 168000 35.9356 -124.313 -42.6715 -135.56 -158.63 40.2613 -11.9638 -32.7461 -254.611 PRESSAVG: 168000 -29.165 -82.442 35.1973 -82.442 19.9651 -10.217 35.1973 -10.217 6.1564 GPRESSAVG: 168000 -29.2756 -80.8559 33.5289 -84.3738 19.985 -10.1025 36.9224 -8.09745 6.22181 TIMING: 168000 CPU: 533.95, 0.00316892/step Wall: 533.95, 0.00316891/step, 4.25339 hours remaining, 228.093750 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: 168000 4066.0138 20510.9084 14485.4584 238.4520 -203464.1032 2687.5850 0.0000 0.0000 51769.9773 -109705.7083 297.5228 -161475.6856 -109357.4133 298.7305 -148.2957 -125.7683 762880.8223 -1.0145 -1.0229 PRESSURE: 168200 -374.748 25.4672 -124.398 25.467 -404.708 93.3651 -124.398 93.3649 -199.834 GPRESSURE: 168200 -339.938 -69.1544 -141.128 -25.1117 -390.009 132.16 -146.597 17.4852 -169.949 PRESSAVG: 168200 -9.62093 -16.7985 -36.4986 -16.7986 20.9381 -61.6623 -36.4986 -61.6622 -24.4396 GPRESSAVG: 168200 -10.9886 -17.1391 -36.8313 -16.8512 21.4932 -60.4709 -37.0223 -62.194 -23.4642 TIMING: 168200 CPU: 534.582, 0.00315725/step Wall: 534.582, 0.00315725/step, 4.23756 hours remaining, 228.093750 MB of memory in use. ENERGY: 168200 4045.9926 20281.9827 14433.1535 252.2304 -203025.0363 2313.3960 0.0000 0.0000 52108.9451 -109589.3360 299.4708 -161698.2810 -109215.9286 298.9546 -326.4297 -299.9650 762627.6061 -4.3741 -4.3199 LDB: ============= START OF LOAD BALANCING ============== 547.008 LDB: ============== END OF LOAD BALANCING =============== 547.008 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 547.01 LDB: ============= START OF LOAD BALANCING ============== 547.329 LDB: Largest compute 7066 load 0.034475 is 17.7% of average load 0.194857 LDB: Average compute 0.004391 is 2.3% of average load 0.194857 LDB: TIME 547.332 LOAD: AVG 0.194857 MAX 0.21024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.148 MB LDB: TIME 547.333 LOAD: AVG 0.194857 MAX 0.21024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.152 MB LDB: TIME 547.333 LOAD: AVG 0.194857 MAX 0.21024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.152 MB LDB: ============== END OF LOAD BALANCING =============== 547.335 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 547.34 PRESSURE: 168400 -23.014 -216.76 25.914 -216.76 62.6511 -222.542 25.9142 -222.543 -39.7615 GPRESSURE: 168400 50.8192 -257.726 -6.70863 -263.163 59.1178 -198.188 63.2389 -241.138 -20.5468 PRESSAVG: 168400 -15.7986 -40.8281 -7.6937 -40.8281 -1.14443 26.7896 -7.69364 26.7895 -15.4652 GPRESSAVG: 168400 -16.2172 -38.7928 -6.12388 -40.9412 -2.30534 25.9449 -8.4317 24.1733 -14.6824 TIMING: 168400 CPU: 535.234, 0.00325917/step Wall: 535.234, 0.00325917/step, 4.37417 hours remaining, 228.574219 MB of memory in use. ENERGY: 168400 3992.3829 20543.1372 14344.9447 258.5373 -202859.6760 2500.1189 0.0000 0.0000 51795.0054 -109425.5496 297.6666 -161220.5551 -109075.0311 298.9799 -0.0415 29.7967 764180.4108 -10.8028 -11.0683 PRESSURE: 168600 198.2 -309.78 73.1404 -309.78 -58.876 -83.9941 73.1416 -83.9936 87.1461 GPRESSURE: 168600 130.808 -208.342 -6.29018 -367.603 39.7115 -56.6853 165.844 12.414 137.867 PRESSAVG: 168600 47.2544 -52.5663 45.0364 -52.5663 -37.1531 31.9467 45.0365 31.9468 7.2924 GPRESSAVG: 168600 47.4797 -52.9038 43.3195 -51.1779 -36.5313 31.8016 46.1223 35.1566 6.56861 TIMING: 168600 CPU: 535.879, 0.00322603/step Wall: 535.879, 0.00322603/step, 4.3295 hours remaining, 228.574219 MB of memory in use. ENERGY: 168600 3933.3044 20472.8644 14421.7489 239.2172 -203259.0806 2560.5323 0.0000 0.0000 52241.9643 -109389.4490 300.2353 -161631.4133 -109035.8984 299.3821 75.4901 102.7956 760851.3536 5.7979 5.8390 PRESSURE: 168800 201.106 4.50795 92.4089 4.50857 75.285 -20.602 92.409 -20.6022 22.8769 GPRESSURE: 168800 197.65 16.2582 67.0962 87.7714 53.2967 -14.6569 150.679 -79.0196 139.679 PRESSAVG: 168800 -19.6257 -37.8027 -17.2206 -37.8027 33.0221 24.7617 -17.2206 24.7618 28.0135 GPRESSAVG: 168800 -20.4595 -39.8704 -16.6399 -38.3243 32.8497 26.2197 -16.6793 24.3976 28.9166 TIMING: 168800 CPU: 536.519, 0.00319837/step Wall: 536.519, 0.00319837/step, 4.29221 hours remaining, 228.574219 MB of memory in use. ENERGY: 168800 3912.9216 20425.7707 14393.6552 236.2341 -203256.2147 2721.9310 0.0000 0.0000 51945.1935 -109620.5085 298.5297 -161565.7020 -109251.8441 299.2861 99.7560 130.2085 761711.9319 13.8033 13.7689 PRESSURE: 169000 -28.1063 31.0692 -275.228 31.0685 -349.908 97.8584 -275.228 97.859 -273.506 GPRESSURE: 169000 30.1141 24.066 -284.927 24.1387 -301.507 196.692 -225.17 41.2875 -301.72 PRESSAVG: 169000 12.1997 37.5942 25.4459 37.5943 -9.99071 -26.1965 25.4458 -26.1965 7.935 GPRESSAVG: 169000 12.9722 39.2213 26.3189 37.2632 -10.3008 -26.2743 23.3689 -25.2294 6.4219 TIMING: 169000 CPU: 537.159, 0.00320108/step Wall: 537.159, 0.00320108/step, 4.29567 hours remaining, 228.574219 MB of memory in use. ENERGY: 169000 3981.7233 20445.0793 14378.9389 226.6513 -203061.8997 2478.1980 0.0000 0.0000 52050.6663 -109500.6426 299.1359 -161551.3089 -109130.7200 299.1757 -217.1737 -191.0376 763299.6520 3.3813 3.0311 PRESSURE: 169200 -375.723 191.544 -238.497 191.544 -56.3933 -20.4623 -238.498 -20.4621 124.891 GPRESSURE: 169200 -380.037 143.027 -247.913 142.167 12.9597 -32.671 -104.705 -49.0353 148.491 PRESSAVG: 169200 -3.67897 0.350651 6.01416 0.350653 -15.6849 -19.2784 6.01408 -19.2784 -13.2521 GPRESSAVG: 169200 -3.29526 0.25299 5.86989 -1.07406 -15.2587 -20.578 7.41173 -22.108 -13.3008 TIMING: 169200 CPU: 537.809, 0.00324913/step Wall: 537.809, 0.00324913/step, 4.35997 hours remaining, 228.574219 MB of memory in use. ENERGY: 169200 4023.4223 20605.1369 14403.1971 234.9142 -202784.8935 2286.6115 0.0000 0.0000 52033.5784 -109198.0333 299.0377 -161231.6116 -108845.7776 299.1920 -102.4084 -72.8620 761978.1777 -10.8720 -10.6183 PRESSURE: 169400 164.845 156.748 111.006 156.749 75.1073 -79.4745 111.006 -79.4748 483.209 GPRESSURE: 169400 160.869 190.126 191.733 66.0779 222.404 19.3653 134.196 40.7078 444.077 PRESSAVG: 169400 -20.0477 -25.8345 4.7255 -25.8345 36.073 16.0283 4.7255 16.0284 9.48829 GPRESSAVG: 169400 -19.7807 -23.6252 5.0634 -24.8408 37.0208 16.1059 3.9685 17.4669 8.69826 TIMING: 169400 CPU: 538.461, 0.00326361/step Wall: 538.461, 0.00326361/step, 4.37923 hours remaining, 228.574219 MB of memory in use. ENERGY: 169400 3983.1532 20541.0930 14380.7738 234.5892 -203506.4016 3008.3601 0.0000 0.0000 51989.9016 -109368.5307 298.7867 -161358.4324 -109008.4576 300.0069 241.0540 275.7835 761995.7521 8.5045 8.6461 PRESSURE: 169600 -181.304 -29.53 169.729 -29.5299 -111.928 146.808 169.73 146.808 26.9986 GPRESSURE: 169600 -77.7352 -157.759 241.808 28.5504 -132.027 87.2254 129.426 95.9422 24.2419 PRESSAVG: 169600 20.5946 11.5801 -3.74775 11.5801 -23.7639 -22.9848 -3.7478 -22.9848 6.74654 GPRESSAVG: 169600 19.1221 8.88918 -2.86391 12.1309 -24.89 -23.153 -5.06705 -23.1393 8.46976 TIMING: 169600 CPU: 539.102, 0.0032014/step Wall: 539.102, 0.0032014/step, 4.29557 hours remaining, 228.574219 MB of memory in use. ENERGY: 169600 4018.1334 20544.5108 14405.5246 223.7678 -202859.0029 2439.9312 0.0000 0.0000 51851.7510 -109375.3842 297.9927 -161227.1352 -109014.2296 299.6203 -88.7445 -61.8400 761860.6038 1.1924 0.9006 PRESSURE: 169800 74.5903 -155.939 28.0836 -155.939 -81.559 86.0719 28.0833 86.0724 345.802 GPRESSURE: 169800 156.986 -292.233 72.1385 -241.646 -71.7212 152.639 44.9295 51.8561 331.3 PRESSAVG: 169800 -14.8892 -90.9391 56.1034 -90.9391 -6.4525 -39.229 56.1035 -39.2289 -9.67111 GPRESSAVG: 169800 -13.2993 -90.1123 53.5215 -91.5706 -6.705 -39.2931 57.7868 -39.0605 -11.1982 TIMING: 169800 CPU: 539.735, 0.00316905/step Wall: 539.735, 0.00316905/step, 4.25198 hours remaining, 228.574219 MB of memory in use. ENERGY: 169800 4023.0114 20426.5741 14462.0902 237.4378 -203314.1338 2616.8157 0.0000 0.0000 52233.0460 -109315.1587 300.1840 -161548.2047 -108954.1919 299.2952 112.9444 138.8549 761687.1789 -10.3376 -10.4008 PRESSURE: 170000 167.211 -136.038 -51.8703 -136.038 126.969 74.8863 -51.8695 74.8869 145.713 GPRESSURE: 170000 212.475 -115.437 39.0722 -93.2333 172.232 85.4788 -125.294 29.5705 119.478 PRESSAVG: 170000 -27.6957 -24.6772 -24.359 -24.6772 10.2005 -25.5104 -24.3591 -25.5104 -12.2378 GPRESSAVG: 170000 -28.531 -24.9725 -23.5541 -23.8809 9.86583 -23.9514 -24.657 -26.3671 -11.2339 TIMING: 170000 CPU: 540.379, 0.00321581/step Wall: 540.379, 0.00321581/step, 4.31454 hours remaining, 228.574219 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: 170000 3896.1132 20526.7055 14448.6448 251.0960 -203473.0172 2725.7865 0.0000 0.0000 52170.4786 -109454.1926 299.8245 -161624.6712 -109102.0204 299.3286 146.6307 168.0618 762228.1865 -9.9110 -9.9664 PRESSURE: 170200 65.3314 -249.371 -53.5966 -249.371 -224.146 156.125 -53.5967 156.125 -288.312 GPRESSURE: 170200 34.8997 -203.43 -151.01 -19.9591 -173.611 230.355 35.0921 143.021 -234.928 PRESSAVG: 170200 -4.05923 -33.3118 -44.8232 -33.3118 -3.44241 -9.58851 -44.8232 -9.58855 7.95889 GPRESSAVG: 170200 -5.15733 -31.1727 -43.3395 -35.9422 -2.70604 -11.5541 -44.2139 -9.01994 8.31273 TIMING: 170200 CPU: 541.018, 0.00319866/step Wall: 541.018, 0.00319866/step, 4.29136 hours remaining, 228.574219 MB of memory in use. ENERGY: 170200 4047.4355 20499.3574 14392.4241 261.3486 -203421.3160 2778.9500 0.0000 0.0000 52044.8444 -109396.9559 299.1024 -161441.8003 -109031.9303 299.4209 -149.0419 -124.5465 761144.6400 0.1524 0.1498 PRESSURE: 170400 -84.2188 137.17 -82.7387 137.169 -126.984 15.3894 -82.7388 15.3901 135.419 GPRESSURE: 170400 -99.1159 89.866 -177.977 102.344 -104.145 -0.511626 -60.6907 -0.790575 178.682 PRESSAVG: 170400 -27.3854 -46.0478 17.3826 -46.0478 26.321 42.5606 17.3826 42.5606 11.8519 GPRESSAVG: 170400 -26.4351 -47.7803 18.3684 -43.8454 25.769 43.6452 15.545 42.0963 11.6444 TIMING: 170400 CPU: 541.657, 0.00319562/step Wall: 541.657, 0.00319562/step, 4.2871 hours remaining, 228.574219 MB of memory in use. ENERGY: 170400 4038.1493 20455.7911 14454.6360 238.8377 -202969.4281 2429.6779 0.0000 0.0000 51891.2260 -109461.1101 298.2196 -161352.3361 -109099.3681 299.4063 -25.2613 -8.1928 763544.9375 3.5958 3.6594 PRESSURE: 170600 -101.261 -73.0853 115.107 -73.0856 -236.78 -81.7873 115.107 -81.7873 -31.4102 GPRESSURE: 170600 -44.9761 -146.24 93.6588 -48.2012 -200.483 -133.966 -6.93415 -69.2576 -31.4391 PRESSAVG: 170600 21.4921 6.45962 -25.0727 6.45961 -3.75277 0.0336058 -25.0726 0.033704 -3.38743 GPRESSAVG: 170600 22.1159 7.64171 -25.8511 5.73304 -3.90864 -0.62665 -22.3436 0.859349 -3.43529 TIMING: 170600 CPU: 542.287, 0.00314793/step Wall: 542.287, 0.00314793/step, 4.22295 hours remaining, 228.574219 MB of memory in use. ENERGY: 170600 4059.2208 20340.6194 14451.7909 240.3387 -203067.9904 2517.4020 0.0000 0.0000 51881.1579 -109577.4607 298.1617 -161458.6186 -109211.9726 298.5859 -123.1502 -92.2993 763196.5717 4.7840 4.9240 PRESSURE: 170800 156.611 -134.895 -85.9953 -134.895 -0.982809 -62.5213 -85.9948 -62.5214 237.08 GPRESSURE: 170800 159.943 -95.6769 -64.7119 -159.098 99.4558 -240.52 -50.371 91.2517 206.173 PRESSAVG: 170800 37.56 -91.9333 -40.1729 -91.9333 -88.9015 -5.18571 -40.1729 -5.18572 8.61526 GPRESSAVG: 170800 37.8942 -94.4997 -39.5583 -90.5542 -89.1667 -6.53424 -42.1922 -4.76719 8.84307 TIMING: 170800 CPU: 542.921, 0.00316994/step Wall: 542.921, 0.00316994/step, 4.2523 hours remaining, 228.574219 MB of memory in use. ENERGY: 170800 3949.2215 20756.3846 14369.0139 233.5965 -203292.5570 2287.1821 0.0000 0.0000 51888.1466 -109809.0117 298.2019 -161697.1583 -109449.2061 298.8500 130.9028 155.1908 760533.7977 -14.2421 -14.1432 PRESSURE: 171000 349.045 241.211 -40.0225 241.211 -419.072 -141.33 -40.0221 -141.329 -112.786 GPRESSURE: 171000 417.794 157.994 -106.965 209.401 -391.249 -168.231 113.073 -150.081 -128.215 PRESSAVG: 171000 2.96416 27.8969 -35.6595 27.897 -19.7869 -31.9212 -35.6595 -31.9212 14.7581 GPRESSAVG: 171000 3.05224 30.12 -37.3815 27.4268 -19.8178 -31.6189 -36.3177 -31.1327 14.6419 TIMING: 171000 CPU: 543.559, 0.00318803/step Wall: 543.559, 0.00318803/step, 4.27638 hours remaining, 228.574219 MB of memory in use. ENERGY: 171000 4004.3228 20512.4185 14441.7324 245.8596 -203428.5099 2419.2127 0.0000 0.0000 51922.7362 -109882.2278 298.4007 -161804.9640 -109523.1795 298.5260 -60.9378 -33.8900 761527.7042 -0.6882 -0.7079 PRESSURE: 171200 -203.905 94.3262 -24.6453 94.3269 -3.52591 230.606 -24.6454 230.607 -352.376 GPRESSURE: 171200 -212.909 46.9543 -80.2823 -5.16697 -28.2039 248.028 2.93793 177.005 -216.023 PRESSAVG: 171200 28.5724 -21.8548 17.8769 -21.8549 -23.9186 22.845 17.8769 22.845 -7.74904 GPRESSAVG: 171200 28.5101 -22.9922 17.8405 -22.3422 -23.9349 23.2986 19.3756 22.2126 -7.63464 TIMING: 171200 CPU: 544.198, 0.00319608/step Wall: 544.198, 0.00319608/step, 4.28702 hours remaining, 228.574219 MB of memory in use. ENERGY: 171200 4023.5632 20221.0440 14413.1414 254.4481 -203271.3130 2422.5290 0.0000 0.0000 52022.0790 -109914.5082 298.9716 -161936.5872 -109549.0033 298.7618 -186.6024 -152.3786 760355.0973 -1.0317 -1.0198 PRESSURE: 171400 119.796 10.8654 91.846 10.8653 -51.6044 -75.4529 91.8466 -75.4537 -151.775 GPRESSURE: 171400 122.597 -74.6629 77.9058 96.0389 -39.7642 -28.8397 96.4117 5.94494 -77.6535 PRESSAVG: 171400 20.1279 -66.5667 60.2229 -66.5667 -20.6841 -24.5125 60.2229 -24.5125 27.682 GPRESSAVG: 171400 20.5037 -65.7838 60.1506 -66.3174 -20.6589 -23.3748 59.0904 -24.3096 26.8553 TIMING: 171400 CPU: 544.834, 0.00318286/step Wall: 544.834, 0.00318286/step, 4.2691 hours remaining, 228.574219 MB of memory in use. ENERGY: 171400 3961.0870 20493.8581 14406.1957 230.7384 -203393.1014 2365.0268 0.0000 0.0000 52107.2572 -109828.9382 299.4611 -161936.1954 -109458.6661 298.2310 -27.8613 1.7265 761562.9479 9.0419 8.9000 PRESSURE: 171600 131.284 -201.887 24.7476 -201.886 -429.749 -13.5497 24.7465 -13.5503 76.8057 GPRESSURE: 171600 179.123 -237.929 -10.3408 -113.304 -403.011 -68.9907 51.4711 -4.82754 89.2088 PRESSAVG: 171600 29.9593 -20.2063 -12.3602 -20.2063 21.9236 -4.90517 -12.3602 -4.90524 -14.7807 GPRESSAVG: 171600 29.8756 -19.7378 -12.3804 -19.9063 21.7511 -5.2958 -10.1365 -3.86804 -14.0582 TIMING: 171600 CPU: 545.482, 0.00323684/step Wall: 545.482, 0.00323684/step, 4.34132 hours remaining, 228.574219 MB of memory in use. ENERGY: 171600 4008.4535 20390.9773 14507.1981 256.9483 -203680.9239 2763.7956 0.0000 0.0000 52024.7441 -109728.8070 298.9869 -161753.5511 -109370.5558 298.8560 -73.8865 -44.8931 763110.2189 12.3674 12.5229 PRESSURE: 171800 -180.361 -242.442 123.832 -242.442 -318.966 -100.293 123.833 -100.294 -82.1473 GPRESSURE: 171800 -182.353 -249.603 135.294 -261.197 -211.28 0.191153 84.1558 -114.653 -96.8669 PRESSAVG: 171800 -2.32133 -60.4013 -6.37886 -60.4013 1.43248 -43.114 -6.37891 -43.1139 29.3065 GPRESSAVG: 171800 -3.09444 -61.4469 -6.79415 -59.84 2.50425 -42.5618 -9.59166 -45.4618 28.8973 TIMING: 171800 CPU: 546.131, 0.00324597/step Wall: 546.131, 0.00324597/step, 4.35338 hours remaining, 228.574219 MB of memory in use. ENERGY: 171800 3977.1892 20447.6491 14395.4371 230.4612 -203171.7654 2303.4044 0.0000 0.0000 52078.0830 -109739.5414 299.2935 -161817.6244 -109377.8695 298.8541 -193.8245 -163.4999 761466.9705 9.4726 9.4357 PRESSURE: 172000 123.908 56.0954 -114.312 56.0963 -243.636 -48.6015 -114.312 -48.6006 142.553 GPRESSURE: 172000 43.4888 -31.1564 -191.767 -48.0273 -135.267 -19.7114 -76.7558 -25.7046 227.752 PRESSAVG: 172000 19.451 -71.9215 -18.021 -71.9215 -9.35432 21.5289 -18.0211 21.5289 7.52947 GPRESSAVG: 172000 20.1369 -72.1697 -17.4275 -72.7512 -10.5546 19.4881 -17.179 23.5645 7.81588 TIMING: 172000 CPU: 546.766, 0.00317621/step Wall: 546.766, 0.00317621/step, 4.25965 hours remaining, 228.574219 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: 172000 4004.1529 20431.0661 14324.0247 229.1625 -203395.2037 2480.5349 0.0000 0.0000 52101.0478 -109825.2148 299.4254 -161926.2626 -109450.4103 298.6799 7.6083 45.3245 759760.3903 5.8754 5.7994 PRESSURE: 172200 38.1091 -222.481 -79.4981 -222.481 -205.047 -50.0446 -79.4981 -50.0454 -142.596 GPRESSURE: 172200 100.561 -108.652 -58.8025 -239.181 -197.662 -43.243 55.2603 27.3762 -141.947 PRESSAVG: 172200 -5.36219 -61.0329 -10.3186 -61.0329 12.6155 -59.0404 -10.3186 -59.0404 -3.27034 GPRESSAVG: 172200 -6.67432 -60.8225 -10.5081 -60.9092 12.9699 -56.7371 -8.35373 -59.956 -2.96228 TIMING: 172200 CPU: 547.401, 0.00317349/step Wall: 547.401, 0.00317349/step, 4.25583 hours remaining, 228.574219 MB of memory in use. ENERGY: 172200 4016.3027 20564.6402 14391.3242 245.3852 -203341.4656 2247.9608 0.0000 0.0000 51960.6578 -109915.1948 298.6186 -161875.8526 -109549.0282 298.8850 -103.1781 -79.6825 761732.5084 1.3277 1.1111 LDB: ============= START OF LOAD BALANCING ============== 559.824 LDB: ============== END OF LOAD BALANCING =============== 559.824 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 559.825 LDB: ============= START OF LOAD BALANCING ============== 560.142 LDB: Largest compute 7066 load 0.036108 is 18.5% of average load 0.194853 LDB: Average compute 0.004401 is 2.3% of average load 0.194853 LDB: TIME 560.145 LOAD: AVG 0.194853 MAX 0.213615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.512 MB LDB: TIME 560.146 LOAD: AVG 0.194853 MAX 0.213615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.59 MB LDB: TIME 560.146 LOAD: AVG 0.194853 MAX 0.213615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.59 MB LDB: ============== END OF LOAD BALANCING =============== 560.148 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 560.152 PRESSURE: 172400 142.931 -45.8386 282.336 -45.8388 122.397 35.7661 282.336 35.7663 -134.352 GPRESSURE: 172400 128.455 -66.5666 197.945 -31.7197 172.097 -14.9553 250.459 -61.7557 -78.5735 PRESSAVG: 172400 -13.7957 -72.6904 15.336 -72.6903 -42.6386 4.43666 15.336 4.43668 -1.05932 GPRESSAVG: 172400 -13.3936 -72.9081 15.6345 -72.5155 -42.6483 2.65649 13.7237 6.27929 -1.83922 TIMING: 172400 CPU: 548.046, 0.00322694/step Wall: 548.046, 0.00322694/step, 4.32732 hours remaining, 229.675781 MB of memory in use. ENERGY: 172400 4020.0746 20493.4083 14402.1659 244.6041 -203264.8030 2391.2616 0.0000 0.0000 51886.2585 -109827.0300 298.1910 -161713.2886 -109464.2860 298.7690 43.6586 73.9927 760495.0813 -19.1645 -19.2937 PRESSURE: 172600 69.332 -116.641 -44.7142 -116.642 331.711 -107.388 -44.7145 -107.388 352.248 GPRESSURE: 172600 65.1684 -147.268 -99.1206 -149.467 380.793 -122.302 -96.4991 -17.3424 383.024 PRESSAVG: 172600 3.97039 -82.9699 7.18885 -82.9699 -7.8481 30.7745 7.18882 30.7744 6.62413 GPRESSAVG: 172600 4.20956 -82.5232 8.62771 -82.259 -7.81526 31.3321 6.26268 27.8217 7.01025 TIMING: 172600 CPU: 548.686, 0.00319793/step Wall: 548.686, 0.00319793/step, 4.28825 hours remaining, 229.675781 MB of memory in use. ENERGY: 172600 4068.9362 20411.5067 14471.9418 265.2418 -203733.1942 2648.2978 0.0000 0.0000 51829.0752 -110038.1945 297.8624 -161867.2697 -109676.1691 298.3706 251.0968 276.3284 758712.5449 0.9155 1.1349 PRESSURE: 172800 78.7832 43.1579 -313.95 43.1574 -83.9039 -150.983 -313.95 -150.983 168.086 GPRESSURE: 172800 218.202 47.3123 -306.088 -11.0127 -131.613 -183.418 -213.664 -160.028 166.032 PRESSAVG: 172800 111.949 -30.514 40.4526 -30.5141 -62.8969 -21.9905 40.4526 -21.9904 7.61899 GPRESSAVG: 172800 113.783 -29.9091 39.7709 -32.4279 -63.3389 -22.8449 41.3251 -20.1598 5.75274 TIMING: 172800 CPU: 549.319, 0.00316619/step Wall: 549.319, 0.00316619/step, 4.24551 hours remaining, 229.675781 MB of memory in use. ENERGY: 172800 3987.2227 20370.1926 14402.9486 254.1246 -203566.6013 2461.4757 0.0000 0.0000 52011.5471 -110079.0898 298.9111 -162090.6369 -109716.5204 298.3574 54.3218 84.2069 759372.2361 18.8904 18.7321 PRESSURE: 173000 205.719 199.5 161.086 199.5 155.265 182.976 161.086 182.976 141.241 GPRESSURE: 173000 130.312 57.2133 135.989 139.262 302.732 144.51 36.6631 138.517 163.348 PRESSAVG: 173000 48.2484 -33.0423 -27.7917 -33.0424 -32.1218 -20.4395 -27.7918 -20.4395 -9.60352 GPRESSAVG: 173000 46.673 -31.4325 -26.9981 -31.5564 -31.9941 -19.9157 -28.3699 -23.0602 -8.70119 TIMING: 173000 CPU: 549.96, 0.00320456/step Wall: 549.96, 0.00320456/step, 4.29678 hours remaining, 229.675781 MB of memory in use. ENERGY: 173000 3974.2034 20528.1096 14462.3090 220.2938 -203320.2724 2634.8294 0.0000 0.0000 51828.1199 -109672.4074 297.8569 -161500.5272 -109322.4690 298.8984 167.4084 198.7970 760567.1938 2.1744 1.9926 PRESSURE: 173200 -195.785 -93.4461 33.6114 -93.4468 -335.174 40.7756 33.611 40.7769 87.4191 GPRESSURE: 173200 -191.168 -54.2602 65.5388 -135.735 -307.807 45.9091 -63.1444 156.838 128.596 PRESSAVG: 173200 89.5614 -50.3538 27.7795 -50.3538 -88.4033 24.5014 27.7795 24.5014 17.931 GPRESSAVG: 173200 88.5103 -51.6922 26.0921 -50.9455 -87.4145 23.4505 27.9664 25.5549 18.3213 TIMING: 173200 CPU: 550.605, 0.003226/step Wall: 550.605, 0.003226/step, 4.32535 hours remaining, 229.675781 MB of memory in use. ENERGY: 173200 3957.0235 20482.3171 14476.2291 231.8875 -203219.6959 2277.8049 0.0000 0.0000 51885.7395 -109908.6942 298.1881 -161794.4337 -109542.6774 298.6439 -147.8466 -123.4599 762320.8409 6.3630 6.4724 PRESSURE: 173400 399.83 -268.842 2.21438 -268.841 233.923 -148.693 2.21483 -148.693 -19.7845 GPRESSURE: 173400 479.254 -247.658 36.5647 -321.605 204.712 -80.4374 -6.00847 -222.459 -2.4522 PRESSAVG: 173400 33.7087 -38.9526 1.68936 -38.9526 -68.2861 -5.38304 1.68938 -5.38302 3.06515 GPRESSAVG: 173400 33.8747 -38.2691 2.10164 -42.0729 -66.8658 -4.19069 1.92391 -4.70837 1.96616 TIMING: 173400 CPU: 551.248, 0.0032142/step Wall: 551.248, 0.0032142/step, 4.30934 hours remaining, 229.675781 MB of memory in use. ENERGY: 173400 3898.5057 20448.5775 14414.1816 230.1933 -203455.3287 2640.0759 0.0000 0.0000 51862.5729 -109961.2220 298.0549 -161823.7948 -109602.3742 298.6640 204.6562 227.1713 761742.6803 -10.5041 -10.3416 PRESSURE: 173600 -93.1909 -12.3439 122.008 -12.3441 166.872 53.5078 122.009 53.5082 292.603 GPRESSURE: 173600 -73.4885 89.1528 161.758 -66.7906 211.84 85.7458 1.30809 118.075 322.385 PRESSAVG: 173600 7.88823 -14.7235 24.7465 -14.7235 -43.6006 5.08528 24.7465 5.08522 -4.83831 GPRESSAVG: 173600 7.19748 -14.2538 25.7363 -11.3951 -43.4193 5.01439 22.149 4.40508 -3.48239 TIMING: 173600 CPU: 551.894, 0.00322814/step Wall: 551.894, 0.00322814/step, 4.32787 hours remaining, 229.675781 MB of memory in use. ENERGY: 173600 3969.4139 20407.4542 14429.2963 245.6457 -203543.1722 2732.9660 0.0000 0.0000 52012.0291 -109746.3671 298.9138 -161758.3962 -109387.4011 298.0603 122.0946 153.5789 760986.9829 -13.5169 -13.2347 PRESSURE: 173800 293.857 140.79 28.7292 140.79 298.716 -171.581 28.7294 -171.58 88.6454 GPRESSURE: 173800 280.415 62.2706 -12.2974 127.425 387.756 -171.062 -44.3941 -68.9893 86.1159 PRESSAVG: 173800 9.13839 3.95401 -10.1021 3.95404 19.2936 -26.2597 -10.102 -26.2597 -1.16615 GPRESSAVG: 173800 10.7945 1.17445 -10.7484 6.55806 17.6261 -28.5104 -7.66458 -25.4063 -1.24827 TIMING: 173800 CPU: 552.535, 0.00320897/step Wall: 552.535, 0.00320897/step, 4.30198 hours remaining, 229.675781 MB of memory in use. ENERGY: 173800 3873.8840 20494.2595 14346.4917 244.7097 -203429.4694 2751.7004 0.0000 0.0000 52084.9812 -109633.4429 299.3331 -161718.4241 -109267.0113 298.6036 227.0726 251.4289 761141.8145 9.0886 9.0574 PRESSURE: 174000 -36.0085 66.3967 -22.3201 66.3961 -309.375 133.871 -22.3199 133.872 90.3564 GPRESSURE: 174000 75.7272 -2.94742 -14.4691 0.984956 -280.441 115.362 -76.2257 74.997 33.181 PRESSAVG: 174000 -35.1572 10.752 -21.1798 10.752 2.773 12.2837 -21.1798 12.2838 3.87775 GPRESSAVG: 174000 -34.9782 11.9116 -20.5088 7.07787 3.27189 14.1223 -23.1459 10.8274 4.01329 TIMING: 174000 CPU: 553.177, 0.00321006/step Wall: 553.177, 0.00321006/step, 4.30327 hours remaining, 229.675781 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: 174000 4000.1255 20375.6339 14405.1524 236.7787 -203157.5570 2359.1496 0.0000 0.0000 51872.5732 -109908.1437 298.1124 -161780.7169 -109542.4262 298.4596 -85.0089 -57.1776 761526.6916 -9.5022 -9.2310 PRESSURE: 174200 30.5555 163.186 108.935 163.186 -110.06 -60.7055 108.935 -60.7053 -193.603 GPRESSURE: 174200 109.822 235.719 57.0565 172.142 -79.7155 -84.3384 43.4471 -44.8636 -228 PRESSAVG: 174200 -9.56606 -45.1233 9.18167 -45.1233 43.9234 19.2227 9.18171 19.2228 -5.95407 GPRESSAVG: 174200 -9.50668 -44.4919 8.70146 -44.3972 43.9127 19.1663 11.3686 20.0746 -6.28323 TIMING: 174200 CPU: 553.821, 0.0032153/step Wall: 553.821, 0.0032153/step, 4.31011 hours remaining, 229.675781 MB of memory in use. ENERGY: 174200 4025.6882 20412.7766 14377.8960 250.0835 -202913.1911 2299.3496 0.0000 0.0000 51518.4301 -110028.9672 296.0771 -161547.3973 -109673.4776 297.5440 -91.0356 -65.9646 761238.6647 9.4678 9.3743 PRESSURE: 174400 225.034 136.67 -72.3866 136.671 -54.368 -44.8126 -72.3865 -44.8126 -264.015 GPRESSURE: 174400 221.848 218.291 -36.2455 93.275 5.76325 -20.427 39.307 -24.6354 -232.88 PRESSAVG: 174400 35.2835 -1.4353 -5.84325 -1.43536 14.0948 5.87268 -5.84324 5.87265 28.4106 GPRESSAVG: 174400 34.0827 -1.29608 -5.23822 -0.772654 14.3049 6.48923 -5.91219 4.00623 29.2728 TIMING: 174400 CPU: 554.472, 0.00325603/step Wall: 554.472, 0.00325603/step, 4.36453 hours remaining, 229.675781 MB of memory in use. ENERGY: 174400 3893.9131 20431.6155 14472.5579 234.7146 -203585.9601 2543.8876 0.0000 0.0000 52016.9659 -109992.3056 298.9422 -162009.2715 -109635.3151 297.9947 -31.1166 -1.7565 759495.7413 25.9297 25.8868 PRESSURE: 174600 84.115 21.0306 -33.3349 21.0305 -107.735 178.629 -33.3346 178.629 -183.988 GPRESSURE: 174600 64.1935 -84.2558 -52.9477 15.4114 -42.3023 120.263 -8.44142 254.923 -136.507 PRESSAVG: 174600 68.7855 -18.8336 -0.892448 -18.8335 -31.4319 22.3409 -0.892447 22.3409 -14.7487 GPRESSAVG: 174600 69.8833 -18.6858 -2.10008 -22.2842 -32.6075 22.1195 0.900085 25.0252 -15.2622 TIMING: 174600 CPU: 555.122, 0.0032533/step Wall: 555.122, 0.0032533/step, 4.36069 hours remaining, 229.675781 MB of memory in use. ENERGY: 174600 3995.0389 20485.8287 14416.4310 240.4087 -203791.8571 2833.0439 0.0000 0.0000 51897.3350 -109923.7709 298.2547 -161821.1059 -109562.8889 297.7370 -69.2029 -38.2052 759971.3552 7.5350 7.3379 PRESSURE: 174800 89.5792 -68.4995 154.856 -68.4995 -4.96387 -10.4664 154.856 -10.4659 -241.345 GPRESSURE: 174800 81.9725 -51.2692 77.0933 -39.0223 145.74 -48.486 157.602 1.33116 -285.163 PRESSAVG: 174800 18.3793 -49.973 48.2951 -49.973 7.60961 16.2891 48.2952 16.2891 17.1625 GPRESSAVG: 174800 18.7106 -49.1267 47.7264 -48.9278 8.22808 16.901 44.2699 16.9873 16.5569 TIMING: 174800 CPU: 555.77, 0.00323894/step Wall: 555.77, 0.00323894/step, 4.34126 hours remaining, 229.675781 MB of memory in use. ENERGY: 174800 3995.4055 20360.4563 14395.7576 257.1732 -203295.1620 2495.8173 0.0000 0.0000 51944.0729 -109846.4791 298.5233 -161790.5520 -109474.5383 298.6201 -52.2432 -19.1502 759473.5223 14.3838 14.4985 PRESSURE: 175000 132.829 -224.48 -36.4992 -224.48 -154.594 9.65954 -36.4994 9.65867 -194.115 GPRESSURE: 175000 62.8458 -266.708 51.1234 -88.6865 -65.7632 48.1298 -62.4041 -72.071 -122.168 PRESSAVG: 175000 23.1649 -8.43194 -22.8444 -8.43197 -33.0722 18.7209 -22.8444 18.721 1.77743 GPRESSAVG: 175000 21.4246 -9.53504 -20.4608 -5.16735 -32.3648 18.9649 -21.5592 17.2902 3.01471 TIMING: 175000 CPU: 556.41, 0.00319983/step Wall: 556.41, 0.00319983/step, 4.28866 hours remaining, 229.675781 MB of memory in use. ENERGY: 175000 3993.7006 20616.8358 14397.5675 236.7136 -203412.9186 2416.5827 0.0000 0.0000 51964.7030 -109786.8154 298.6419 -161751.5184 -109434.8172 298.3430 -71.9600 -41.6951 760681.2792 -2.7099 -2.6418 PRESSURE: 175200 -144.088 -47.4762 148.414 -47.4762 122.843 -195.466 148.414 -195.466 267.028 GPRESSURE: 175200 -121.106 17.9496 209.695 -71.8172 164.237 -234.953 24.7675 -17.3869 299.321 PRESSAVG: 175200 22.5714 -20.929 -24.8355 -20.9291 -39.8381 36.0292 -24.8354 36.0293 8.32735 GPRESSAVG: 175200 23.423 -20.0836 -26.5692 -21.4113 -39.6706 35.9735 -23.8131 37.4566 7.58945 TIMING: 175200 CPU: 557.044, 0.00316923/step Wall: 557.044, 0.00316923/step, 4.24747 hours remaining, 229.675781 MB of memory in use. ENERGY: 175200 4047.5971 20347.2378 14396.7002 243.4272 -203426.9719 2620.1824 0.0000 0.0000 52034.0453 -109737.7819 299.0404 -161771.8271 -109366.5049 298.9993 81.9278 114.1506 760009.5451 -2.9798 -2.8861 PRESSURE: 175400 -46.3982 -63.9996 54.9089 -63.9998 -130.56 -10.9531 54.9093 -10.9527 -6.72217 GPRESSURE: 175400 45.7964 -86.1958 48.4079 -130.45 -119.897 60.639 39.4663 -83.8676 -18.3062 PRESSAVG: 175400 30.4307 -11.235 36.0148 -11.235 -63.177 21.2546 36.0147 21.2547 -3.64613 GPRESSAVG: 175400 31.3862 -11.2139 38.3779 -12.5288 -63.4266 20.9514 34.3011 20.1433 -4.80276 TIMING: 175400 CPU: 557.686, 0.00321127/step Wall: 557.686, 0.00321127/step, 4.30363 hours remaining, 229.675781 MB of memory in use. ENERGY: 175400 4011.8879 20466.6306 14398.8110 247.2420 -203378.9734 2471.9901 0.0000 0.0000 51896.5742 -109885.8376 298.2503 -161782.4118 -109526.2165 298.0278 -61.2268 -30.8024 760287.8897 -12.1308 -12.2811 PRESSURE: 175600 -113.152 42.8779 77.7606 42.8772 317.817 -32.6355 77.7612 -32.6357 132.876 GPRESSURE: 175600 -45.1622 0.629088 96.8772 88.0128 324.746 -63.6406 -14.3071 -31.6914 129.144 PRESSAVG: 175600 4.81724 -10.0284 -16.3147 -10.0283 -39.4197 41.0868 -16.3148 41.0868 -3.84034 GPRESSAVG: 175600 4.20468 -12.3089 -18.6517 -7.12659 -40.291 41.4676 -15.2976 41.6727 -2.51969 TIMING: 175600 CPU: 558.328, 0.00320905/step Wall: 558.328, 0.00320905/step, 4.30049 hours remaining, 229.675781 MB of memory in use. ENERGY: 175600 3947.5002 20504.7657 14401.9382 237.7410 -203510.4332 2569.1049 0.0000 0.0000 51799.1641 -110050.2192 297.6905 -161849.3833 -109688.3754 297.7222 112.5136 136.2427 760948.0145 -12.8143 -12.8687 PRESSURE: 175800 -155.488 -92.0702 -162.029 -92.0706 -122.819 403.894 -162.029 403.894 -367.107 GPRESSURE: 175800 -85.8614 41.8768 -143.625 -32.139 -120.029 347.899 -129.44 287.068 -348.797 PRESSAVG: 175800 96.7867 -18.3811 -8.44801 -18.3811 -106.597 8.92314 -8.44802 8.92315 -5.59338 GPRESSAVG: 175800 97.9088 -17.0774 -8.05515 -19.7767 -106.621 9.43536 -7.28542 7.89961 -6.34482 TIMING: 175800 CPU: 558.977, 0.00324233/step Wall: 558.977, 0.00324233/step, 4.3449 hours remaining, 229.675781 MB of memory in use. ENERGY: 175800 3925.0672 20312.2507 14435.0632 225.3921 -203375.5886 2613.4012 0.0000 0.0000 51970.8198 -109893.5944 298.6770 -161864.4141 -109530.8223 297.7993 -215.1382 -184.8959 761700.8414 -5.1346 -5.0192 PRESSURE: 176000 386.482 -97.2036 82.8998 -97.2042 107.389 -57.9696 82.8999 -57.9703 -89.6574 GPRESSURE: 176000 367.769 -48.313 62.8582 -55.3262 179.492 -42.1191 -61.2646 16.8749 -50.3361 PRESSAVG: 176000 66.4802 -28.7872 -31.224 -28.7872 -38.9195 27.3157 -31.224 27.3157 -5.70278 GPRESSAVG: 176000 65.8523 -27.9144 -31.5244 -29.3938 -39.6614 27.012 -32.5497 28.3134 -4.64022 TIMING: 176000 CPU: 559.619, 0.00321042/step Wall: 559.619, 0.00321042/step, 4.30196 hours remaining, 229.675781 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: 176000 3946.2292 20548.4581 14502.0677 263.7466 -203553.4918 2664.6388 0.0000 0.0000 51961.1510 -109667.2004 298.6214 -161628.3515 -109309.0512 299.0559 134.7379 165.6418 760076.4475 7.2860 7.1836 PRESSURE: 176200 -195.937 -60.8092 291.258 -60.8088 65.2521 -140.217 291.258 -140.218 -14.0829 GPRESSURE: 176200 -128.54 3.78967 286.294 26.8886 90.2338 -76.625 409.094 -13.1045 -23.7488 PRESSAVG: 176200 21.6608 -20.7004 8.10463 -20.7003 -6.0141 49.2474 8.10466 49.2474 13.139 GPRESSAVG: 176200 20.4609 -20.2084 7.95285 -22.2047 -4.22119 47.6809 7.33609 48.3018 11.9701 TIMING: 176200 CPU: 560.263, 0.00322357/step Wall: 560.263, 0.00322357/step, 4.31941 hours remaining, 229.675781 MB of memory in use. ENERGY: 176200 4002.8556 20403.5937 14440.1420 250.2572 -203459.3326 2491.8767 0.0000 0.0000 52140.9165 -109729.6908 299.6546 -161870.6074 -109357.6061 299.0287 -48.2559 -20.6848 761876.1544 9.5952 9.4033 LDB: ============= START OF LOAD BALANCING ============== 572.693 LDB: ============== END OF LOAD BALANCING =============== 572.693 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 572.694 LDB: ============= START OF LOAD BALANCING ============== 573.016 LDB: Largest compute 7069 load 0.034079 is 17.5% of average load 0.194727 LDB: Average compute 0.004414 is 2.3% of average load 0.194727 LDB: TIME 573.019 LOAD: AVG 0.194727 MAX 0.209737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.996 MB LDB: TIME 573.02 LOAD: AVG 0.194727 MAX 0.209737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.059 MB LDB: TIME 573.02 LOAD: AVG 0.194727 MAX 0.209737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.059 MB LDB: ============== END OF LOAD BALANCING =============== 573.022 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 573.027 PRESSURE: 176400 -56.7363 33.5062 -85.7105 33.5054 -434.242 126.92 -85.7106 126.921 -215.101 GPRESSURE: 176400 -99.3133 71.2375 -74.2168 -41.3594 -326.235 103.25 46.6839 247.563 -210.301 PRESSAVG: 176400 23.3099 -8.25372 -7.61727 -8.25374 11.4706 8.69701 -7.61729 8.69695 16.8696 GPRESSAVG: 176400 22.2368 -10.2284 -8.87482 -6.81695 11.3502 11.2593 -6.9576 8.38209 18.1406 TIMING: 176400 CPU: 560.921, 0.00328946/step Wall: 560.921, 0.00328946/step, 4.4075 hours remaining, 230.066406 MB of memory in use. ENERGY: 176400 4010.4170 20555.8396 14383.0863 251.6631 -203391.6067 2479.8096 0.0000 0.0000 51832.3384 -109878.4528 297.8812 -161710.7912 -109517.3548 298.9034 -235.3598 -211.9496 761929.4364 17.2167 17.2426 PRESSURE: 176600 -344.734 -165.823 -179.348 -165.823 -244.661 114.464 -179.348 114.464 -121.405 GPRESSURE: 176600 -220.095 -13.5493 -252.029 -49.6702 -285.923 23.9587 -237.037 -115.186 -143.347 PRESSAVG: 176600 26.6599 -29.1132 -29.0192 -29.1132 -50.1916 -11.4142 -29.0193 -11.4143 0.547068 GPRESSAVG: 176600 27.9921 -27.5152 -26.8549 -29.1088 -51.2595 -12.1672 -28.4603 -14.1317 -0.45904 TIMING: 176600 CPU: 561.56, 0.00319184/step Wall: 561.56, 0.00319184/step, 4.27653 hours remaining, 230.449219 MB of memory in use. ENERGY: 176600 3922.1685 20501.0477 14395.5666 222.4968 -203262.3494 2397.6602 0.0000 0.0000 51995.2070 -109828.2026 298.8172 -161823.4096 -109462.5112 298.5556 -236.9331 -216.4551 761643.7348 -7.6615 -7.9088 PRESSURE: 176800 -237.895 -134.267 -267.224 -134.267 -67.5716 -47.9923 -267.224 -47.9928 35.1157 GPRESSURE: 176800 -150.507 -137.46 -214.333 -54.7392 33.7583 -54.0812 -305.632 -38.3639 -51.8274 PRESSAVG: 176800 36.0505 -17.3362 12.5977 -17.3363 -41.5438 44.8746 12.5977 44.8746 25.7512 GPRESSAVG: 176800 34.9505 -18.1286 12.3291 -16.4003 -40.6067 43.1183 11.3171 47.4219 26.611 TIMING: 176800 CPU: 562.202, 0.00321058/step Wall: 562.202, 0.00321058/step, 4.30146 hours remaining, 230.449219 MB of memory in use. ENERGY: 176800 3987.8260 20429.4505 14413.4051 244.4804 -203841.1445 2772.4855 0.0000 0.0000 51989.7761 -110003.7209 298.7860 -161993.4970 -109626.3622 298.5986 -90.1170 -56.1920 761163.9255 6.7526 6.9849 PRESSURE: 177000 66.8825 -159.346 -197.825 -159.346 -30.3847 -245.303 -197.824 -245.302 -327.645 GPRESSURE: 177000 129.437 -163.088 -176.585 -71.3199 -49.0903 -206.243 -116.026 -288.736 -279.204 PRESSAVG: 177000 -5.35583 7.6465 50.0918 7.6465 -45.7734 -14.7877 50.0918 -14.7876 -3.78559 GPRESSAVG: 177000 -4.06238 8.64132 49.0622 5.96296 -46.2386 -14.0228 52.0721 -17.1408 -4.53563 TIMING: 177000 CPU: 562.841, 0.00319641/step Wall: 562.841, 0.00319641/step, 4.2823 hours remaining, 230.652344 MB of memory in use. ENERGY: 177000 4005.6347 20615.3566 14399.7623 246.8900 -204094.4178 2774.0258 0.0000 0.0000 51889.6766 -110163.0717 298.2107 -162052.7483 -109811.3554 298.2091 -97.0490 -66.2858 760869.9840 -18.3049 -18.2789 PRESSURE: 177200 -246.582 173.145 64.0142 173.145 -115.18 -39.9617 64.0147 -39.9626 -571.032 GPRESSURE: 177200 -252.289 101.979 4.98384 203.884 -84.2685 32.0889 139.461 44.1648 -508.235 PRESSAVG: 177200 -5.77535 -20.1146 65.3511 -20.1146 -12.3264 8.53516 65.3511 8.53512 6.10523 GPRESSAVG: 177200 -5.1143 -21.2076 65.4896 -19.1041 -12.6242 8.54879 65.7391 9.72346 6.16222 TIMING: 177200 CPU: 563.478, 0.00318759/step Wall: 563.478, 0.00318759/step, 4.2703 hours remaining, 230.652344 MB of memory in use. ENERGY: 177200 4005.3316 20388.9792 14345.4251 216.2898 -203370.3382 2323.5353 0.0000 0.0000 52085.6559 -110005.1212 299.3370 -162090.7772 -109632.0505 298.7746 -310.9312 -281.5977 762950.2000 -3.9988 -3.8587 PRESSURE: 177400 -147.72 245.986 208.222 245.986 -132.907 -175.952 208.222 -175.953 133.862 GPRESSURE: 177400 -67.0282 199.68 186.253 238.108 -168.06 -186.085 215.716 -99.2026 165.141 PRESSAVG: 177400 15.3958 -8.53928 70.2264 -8.53921 -48.0074 -44.4421 70.2264 -44.4421 -0.993121 GPRESSAVG: 177400 15.5063 -9.22972 69.6335 -9.40224 -48.4605 -44.8647 69.7809 -42.3855 -0.0212196 TIMING: 177400 CPU: 564.116, 0.00318524/step Wall: 564.116, 0.00318524/step, 4.26699 hours remaining, 230.652344 MB of memory in use. ENERGY: 177400 3976.4633 20466.1008 14285.8604 253.6914 -203508.8561 2406.4212 0.0000 0.0000 52128.1240 -109992.1951 299.5810 -162120.3191 -109625.6380 297.9716 -48.9215 -23.3157 761043.4325 -11.2016 -10.9918 PRESSURE: 177600 -54.9978 -142.954 104.841 -142.955 -329.753 -21.6549 104.841 -21.6542 -19.0608 GPRESSURE: 177600 5.32341 -236.626 154.117 -36.0857 -290.366 84.9919 20.0356 -64.1934 -29.0658 PRESSAVG: 177600 -4.32419 33.7914 -6.55315 33.7915 -3.32153 30.4519 -6.55315 30.4519 -20.2063 GPRESSAVG: 177600 -4.64248 35.1331 -5.00696 32.7771 -2.5808 28.9533 -7.6291 31.9449 -20.3969 TIMING: 177600 CPU: 564.754, 0.00319318/step Wall: 564.754, 0.00319318/step, 4.27744 hours remaining, 230.652344 MB of memory in use. ENERGY: 177600 3982.6152 20659.7131 14478.2033 252.6138 -203587.1338 2628.6945 0.0000 0.0000 51715.5212 -109869.7727 297.2098 -161585.2939 -109513.4645 298.2717 -134.6039 -104.7028 760557.3946 -9.2840 -9.2067 PRESSURE: 177800 -16.9863 -109.881 -236.526 -109.882 -72.5223 82.2975 -236.527 82.2972 47.0401 GPRESSURE: 177800 70.7957 -106.303 -243.37 -107.005 -13.199 15.0758 -113.294 38.0519 -12.6016 PRESSAVG: 177800 -28.1165 -46.8773 -12.9295 -46.8774 21.9712 33.2619 -12.9295 33.2619 6.33363 GPRESSAVG: 177800 -28.0711 -48.5905 -13.7978 -44.1662 22.4888 34.9593 -11.6677 29.7009 6.33566 TIMING: 177800 CPU: 565.394, 0.0031978/step Wall: 565.394, 0.0031978/step, 4.28345 hours remaining, 230.652344 MB of memory in use. ENERGY: 177800 3916.1823 20620.9447 14350.3339 231.6086 -203433.8477 2383.2797 0.0000 0.0000 52366.5820 -109564.9165 300.9515 -161931.4984 -109196.0732 299.2605 -14.1562 14.9984 759824.9133 0.0628 0.2511 PRESSURE: 178000 -67.6627 317.141 98.109 317.142 -337.827 -70.706 98.109 -70.7061 -254.811 GPRESSURE: 178000 -18.7362 157.369 160.684 231.677 -246.961 -207.085 175.357 19.846 -316.17 PRESSAVG: 178000 -12.9957 8.97772 -12.6321 8.9777 -36.1505 -34.8422 -12.6322 -34.8422 22.0695 GPRESSAVG: 178000 -11.5103 12.4484 -12.6649 6.47337 -37.1346 -34.9157 -13.3802 -34.4776 22.0735 TIMING: 178000 CPU: 566.034, 0.00320243/step Wall: 566.034, 0.00320243/step, 4.28947 hours remaining, 230.652344 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: 178000 4025.8163 20523.3598 14265.1215 231.4204 -203400.4693 2552.3468 0.0000 0.0000 52375.9404 -109426.4642 301.0052 -161802.4046 -109055.8575 299.8367 -220.1003 -193.9558 759774.8460 -9.0256 -8.8571 PRESSURE: 178200 -150.242 -97.5037 18.9244 -97.5035 -276.033 -86.2848 18.9241 -86.2844 -188.41 GPRESSURE: 178200 -107.361 -37.2083 133.36 -66.9347 -185.238 -58.0127 -107.309 -73.0101 -229.566 PRESSAVG: 178200 14.4745 8.46528 27.7046 8.46533 -32.7814 37.3632 27.7046 37.3632 6.51538 GPRESSAVG: 178200 14.3753 6.51542 27.2027 10.3973 -31.8878 37.7519 28.6004 37.4098 5.95564 TIMING: 178200 CPU: 566.669, 0.00317512/step Wall: 566.669, 0.00317512/step, 4.25272 hours remaining, 230.652344 MB of memory in use. ENERGY: 178200 4034.8956 20594.6920 14382.8557 257.2644 -203489.6013 2625.7560 0.0000 0.0000 52045.8847 -109548.2529 299.1084 -161594.1376 -109191.3844 299.3860 -204.8950 -174.0547 760003.7455 -3.9305 -3.8523 PRESSURE: 178400 572.67 61.481 151.124 61.4809 95.0947 102.206 151.124 102.207 83.4573 GPRESSURE: 178400 508.142 38.1433 79.6291 105.655 222.482 92.0119 141.661 13.4466 111.521 PRESSAVG: 178400 -0.457989 -38.7379 5.63102 -38.7378 11.4099 13.3482 5.63099 13.3483 9.81457 GPRESSAVG: 178400 -0.766506 -39.9412 6.23608 -37.6334 10.8942 12.7842 3.45665 15.8343 10.3701 TIMING: 178400 CPU: 567.304, 0.0031747/step Wall: 567.304, 0.0031747/step, 4.25198 hours remaining, 230.652344 MB of memory in use. ENERGY: 178400 3983.1606 20498.3539 14400.9479 260.5364 -203569.6190 2608.8670 0.0000 0.0000 52203.5815 -109614.1718 300.0147 -161817.7534 -109261.0172 298.9378 250.4073 280.7151 757387.2698 6.9222 6.8326 PRESSURE: 178600 -112.93 65.9972 -260.43 65.9981 -117.361 119.209 -260.43 119.21 -164.673 GPRESSURE: 178600 -107.406 56.2296 -237.424 27.9323 -28.2605 114.724 -108.465 165.239 -173.636 PRESSAVG: 178600 -29.0535 16.1443 10.9386 16.1443 6.08273 -5.11064 10.9385 -5.11071 38.172 GPRESSAVG: 178600 -29.9891 18.1316 9.69442 14.8884 5.61145 -6.56161 11.2846 -5.86785 38.7475 TIMING: 178600 CPU: 567.943, 0.00319376/step Wall: 567.943, 0.00319376/step, 4.27733 hours remaining, 230.664062 MB of memory in use. ENERGY: 178600 4005.3340 20448.5347 14410.4734 248.3610 -203562.5264 2581.9777 0.0000 0.0000 52158.8284 -109709.0172 299.7575 -161867.8456 -109341.5979 299.2508 -131.6546 -103.1008 758662.2171 5.0671 4.7899 PRESSURE: 178800 -158.901 -161.055 408.497 -161.055 -454.768 -92.7738 408.498 -92.7733 99.7059 GPRESSURE: 178800 -44.5301 -148.446 406.126 -131.793 -369.879 -70.1604 360.838 29.8843 -22.2855 PRESSAVG: 178800 13.3352 22.0516 -18.7692 22.0517 50.7677 0.824246 -18.7692 0.824254 3.02706 GPRESSAVG: 178800 13.4173 22.3915 -18.6756 22.7892 51.5443 2.64297 -17.3381 -0.173313 1.85328 TIMING: 178800 CPU: 568.579, 0.00317859/step Wall: 568.579, 0.00317858/step, 4.25683 hours remaining, 230.664062 MB of memory in use. ENERGY: 178800 3944.1576 20521.1409 14387.8108 233.5413 -203417.2326 2562.9677 0.0000 0.0000 52017.0654 -109750.5489 298.9428 -161767.6143 -109382.6955 299.1446 -171.3210 -145.5649 761508.2371 22.3767 22.2716 PRESSURE: 179000 164.653 27.1638 300.489 27.1638 172.569 38.0886 300.488 38.0886 118.623 GPRESSURE: 179000 167.336 -37.566 209.928 -35.6198 221.719 50.6243 260.86 -43.9887 155.554 PRESSAVG: 179000 -10.95 -43.396 -16.762 -43.396 24.3704 29.5129 -16.7619 29.5129 19.8444 GPRESSAVG: 179000 -11.402 -43.2144 -17.0899 -44.6327 23.4811 28.8192 -18.6543 28.0834 21.092 TIMING: 179000 CPU: 569.22, 0.00320571/step Wall: 569.22, 0.00320571/step, 4.29298 hours remaining, 230.664062 MB of memory in use. ENERGY: 179000 3953.0126 20679.5314 14442.4522 240.1021 -203622.3082 2587.2723 0.0000 0.0000 52061.7144 -109658.2231 299.1994 -161719.9375 -109297.7377 298.8788 151.9482 181.5362 759682.6532 11.0883 11.0570 PRESSURE: 179200 -82.3511 -101.921 -38.2875 -101.921 -230.169 183.412 -38.2863 183.412 -346.934 GPRESSURE: 179200 -83.1319 55.6096 4.89394 -121.921 -185.022 329.263 -34.0482 219.867 -305.673 PRESSAVG: 179200 -14.5676 19.8631 -38.6598 19.8631 38.0274 12.4696 -38.6598 12.4696 -11.6033 GPRESSAVG: 179200 -14.311 20.1238 -36.1266 20.3569 38.3166 12.8126 -38.4805 13.6337 -11.8966 TIMING: 179200 CPU: 569.858, 0.0031912/step Wall: 569.858, 0.0031912/step, 4.27337 hours remaining, 230.664062 MB of memory in use. ENERGY: 179200 3955.8662 20626.9897 14431.1081 237.5250 -203498.5344 2443.9612 0.0000 0.0000 52230.4632 -109572.6210 300.1692 -161803.0842 -109214.0730 298.9851 -219.8182 -191.2756 760493.4898 3.9522 4.0363 PRESSURE: 179400 146.051 1.85868 -90.7008 1.85887 -21.2135 272.353 -90.6999 272.353 31.4388 GPRESSURE: 179400 125.585 -54.5536 -62.9806 -15.8006 105.689 199.716 -166.491 50.2802 16.4671 PRESSAVG: 179400 -34.4097 29.8199 5.64292 29.8198 11.823 -13.5775 5.64289 -13.5774 -6.4107 GPRESSAVG: 179400 -35.7201 28.7673 4.21004 29.0085 12.6159 -14.4098 7.32889 -14.3037 -6.02392 TIMING: 179400 CPU: 570.503, 0.00322603/step Wall: 570.503, 0.00322603/step, 4.31984 hours remaining, 230.664062 MB of memory in use. ENERGY: 179400 3958.5852 20462.3622 14436.6826 252.6140 -203070.7838 2555.8004 0.0000 0.0000 51795.5262 -109609.2132 297.6696 -161404.7394 -109248.1619 298.8125 52.0920 82.5805 761592.5639 -9.6658 -9.7094 PRESSURE: 179600 -131.171 -28.4456 -85.1087 -28.4458 -229.301 205.919 -85.1077 205.919 -98.4105 GPRESSURE: 179600 -116.298 3.36707 -142.431 -1.88635 -187.158 220.126 -29.0445 217.535 -66.1128 PRESSAVG: 179600 27.3003 -23.309 27.7666 -23.3089 38.6822 -1.64392 27.7665 -1.64387 -0.40044 GPRESSAVG: 179600 27.6383 -21.0146 26.8617 -23.5505 37.7516 -2.84802 27.6163 -0.611047 -0.256915 TIMING: 179600 CPU: 571.144, 0.0032035/step Wall: 571.144, 0.0032035/step, 4.28948 hours remaining, 230.664062 MB of memory in use. ENERGY: 179600 4018.0019 20610.9428 14446.9829 271.8103 -203446.2305 2683.4912 0.0000 0.0000 52041.1367 -109373.8649 299.0811 -161415.0016 -109021.0966 298.8885 -152.9606 -123.1898 761557.9982 21.8607 21.7110 PRESSURE: 179800 120.622 37.4557 -70.2463 37.456 103.949 57.447 -70.2454 57.4467 -155.694 GPRESSURE: 179800 189.199 42.1188 -54.937 133.101 79.8894 87.3441 -65.4558 26.2138 -133.205 PRESSAVG: 179800 33.3756 -13.5861 -24.7174 -13.5861 -5.75806 62.5819 -24.7174 62.5818 -14.3303 GPRESSAVG: 179800 33.7238 -14.5946 -25.738 -13.4234 -5.55231 63.5993 -24.005 62.029 -14.8829 TIMING: 179800 CPU: 571.784, 0.00320241/step Wall: 571.784, 0.00320241/step, 4.28784 hours remaining, 230.664062 MB of memory in use. ENERGY: 179800 4051.0591 20544.7237 14370.1894 259.8189 -203190.0809 2764.8436 0.0000 0.0000 52090.8283 -109108.6179 299.3667 -161199.4462 -108743.0146 299.7495 22.9590 45.2947 762733.9625 4.4291 4.4295 PRESSURE: 180000 234.877 -100.137 20.4239 -100.137 144.032 -60.1964 20.4236 -60.1975 132.306 GPRESSURE: 180000 155.404 -111.687 25.2629 -73.8961 247.934 -57.8453 13.6129 -127.477 169.127 PRESSAVG: 180000 -83.8287 -36.352 59.7139 -36.352 37.8466 0.768423 59.714 0.768438 8.5745 GPRESSAVG: 180000 -83.1565 -36.243 61.8318 -36.2807 36.7693 0.553127 59.0463 0.648544 8.74858 TIMING: 180000 CPU: 572.414, 0.00314922/step Wall: 572.414, 0.00314922/step, 4.21646 hours remaining, 230.664062 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: 180000 4052.9317 20612.3973 14441.3082 250.0625 -203530.0710 3098.8528 0.0000 0.0000 52068.3386 -109006.1800 299.2375 -161074.5186 -108645.2464 299.9078 170.4051 190.8217 761948.5380 -12.4692 -12.5462 PRESSURE: 180200 -162.035 34.0354 -56.2583 34.0357 -207.719 131.631 -56.2582 131.631 -29.08 GPRESSURE: 180200 -192.684 57.303 -6.28289 -64.2679 -132.8 25.2823 -107.692 233.109 4.21849 PRESSAVG: 180200 -8.4415 -17.4568 3.97477 -17.4567 3.42136 61.8385 3.97476 61.8385 -7.12955 GPRESSAVG: 180200 -9.51934 -20.492 4.11951 -17.8783 4.59772 62.6894 -0.00682376 61.0757 -6.90031 TIMING: 180200 CPU: 573.049, 0.00317198/step Wall: 573.049, 0.00317198/step, 4.24675 hours remaining, 230.664062 MB of memory in use. ENERGY: 180200 3904.0305 20654.4429 14447.1766 246.0636 -203063.8746 2517.2040 0.0000 0.0000 52240.4324 -109054.5247 300.2265 -161294.9571 -108680.8203 300.3850 -132.9447 -107.0886 763050.0392 -4.0499 -3.9406 LDB: ============= START OF LOAD BALANCING ============== 585.474 LDB: ============== END OF LOAD BALANCING =============== 585.474 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 585.476 LDB: ============= START OF LOAD BALANCING ============== 585.792 LDB: Largest compute 7024 load 0.033876 is 17.4% of average load 0.194775 LDB: Average compute 0.004410 is 2.3% of average load 0.194775 LDB: TIME 585.796 LOAD: AVG 0.194775 MAX 0.210286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.031 MB LDB: TIME 585.796 LOAD: AVG 0.194775 MAX 0.210286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.238 MB LDB: TIME 585.796 LOAD: AVG 0.194775 MAX 0.210286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.238 MB LDB: ============== END OF LOAD BALANCING =============== 585.798 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 585.803 PRESSURE: 180400 90.869 -99.5968 163.315 -99.5961 -115.353 316.034 163.315 316.033 -74.5075 GPRESSURE: 180400 150.184 -167.125 208.895 -33.4776 -128.889 244.748 226.591 289.275 -24.6334 PRESSAVG: 180400 23.4207 -40.9705 -27.0909 -40.9704 17.6462 53.3781 -27.0909 53.3782 -8.22525 GPRESSAVG: 180400 25.6791 -40.2229 -28.4465 -40.3822 16.4971 52.4307 -22.9983 54.1166 -9.19976 TIMING: 180400 CPU: 573.697, 0.00324273/step Wall: 573.697, 0.00324273/step, 4.3413 hours remaining, 229.621094 MB of memory in use. ENERGY: 180400 4021.0562 20463.0531 14429.8170 245.1532 -203534.1255 2889.9575 0.0000 0.0000 52191.3505 -109293.7381 299.9444 -161485.0886 -108929.3331 299.9739 -32.9972 -1.1130 760731.4655 10.9472 10.9921 PRESSURE: 180600 226.96 58.1163 175.529 58.1167 -138.987 3.57519 175.53 3.57495 -152.76 GPRESSURE: 180600 254.637 0.455482 143.896 77.1978 -122.767 57.1654 131.08 18.9622 -121.839 PRESSAVG: 180600 39.7364 25.4129 32.2861 25.4129 -43.1496 68.9287 32.2861 68.9287 15.8667 GPRESSAVG: 180600 37.8762 25.8493 32.305 26.9097 -41.6416 69.9459 30.7907 68.4488 16.0505 TIMING: 180600 CPU: 574.332, 0.00317376/step Wall: 574.332, 0.00317376/step, 4.24878 hours remaining, 229.820312 MB of memory in use. ENERGY: 180600 4010.7320 20457.5269 14437.3423 256.8696 -203609.0405 2797.0050 0.0000 0.0000 52370.0738 -109279.4908 300.9715 -161649.5646 -108913.5000 299.9259 -21.5957 3.3437 761120.5908 4.1512 4.0950 PRESSURE: 180800 -110.48 -167.362 62.9166 -167.362 -594.36 -22.2952 62.9162 -22.2945 -417.655 GPRESSURE: 180800 -184.15 -154.144 101.429 -112.798 -447.031 -33.2655 80.8465 -108.018 -396.564 PRESSAVG: 180800 54.8307 13.552 -6.00609 13.552 17.4781 -23.0782 -6.00612 -23.0783 -6.57899 GPRESSAVG: 180800 54.5043 14.0239 -6.35311 11.2825 16.8166 -24.4554 -4.22455 -23.4502 -5.9302 TIMING: 180800 CPU: 574.966, 0.00317066/step Wall: 574.966, 0.00317067/step, 4.24446 hours remaining, 229.820312 MB of memory in use. ENERGY: 180800 4078.4169 20521.8912 14356.1763 243.5823 -203290.2881 2533.1167 0.0000 0.0000 52184.4356 -109372.6691 299.9047 -161557.1047 -109011.3988 299.5423 -374.1650 -342.5818 763111.6901 21.9099 21.7969 PRESSURE: 181000 130.903 50.6863 269.535 50.6869 104.001 -129.684 269.536 -129.683 -22.8733 GPRESSURE: 181000 104.732 231.445 251.847 -104.238 99.1091 -48.2121 269.975 -28.4852 98.0275 PRESSAVG: 181000 7.6173 -6.58672 52.271 -6.58661 17.3826 8.5459 52.271 8.54586 6.44653 GPRESSAVG: 181000 7.38715 -8.53124 53.7986 -5.13477 16.9228 9.26007 51.2327 9.71324 7.33858 TIMING: 181000 CPU: 575.601, 0.00317366/step Wall: 575.601, 0.00317366/step, 4.24829 hours remaining, 229.820312 MB of memory in use. ENERGY: 181000 4056.8470 20587.3225 14347.4197 234.9055 -203215.0027 2658.9210 0.0000 0.0000 51783.1683 -109546.4188 297.5986 -161329.5870 -109195.0125 299.3008 70.6769 100.6228 761088.0819 10.4821 10.5495 PRESSURE: 181200 -139.946 28.7882 100.236 28.7878 -272.439 -142.852 100.237 -142.853 316.079 GPRESSURE: 181200 -126.661 51.6234 96.9528 69.1546 -214.386 -160.473 38.0607 -62.5294 316.863 PRESSAVG: 181200 26.6519 -1.2275 10.1265 -1.22745 -20.2725 14.8849 10.1264 14.885 -6.24783 GPRESSAVG: 181200 27.176 1.17166 9.11641 -2.3484 -19.8579 14.505 10.4753 15.5544 -6.65797 TIMING: 181200 CPU: 576.238, 0.00318462/step Wall: 576.238, 0.00318462/step, 4.2628 hours remaining, 229.820312 MB of memory in use. ENERGY: 181200 3858.0800 20552.4735 14358.2228 259.4393 -203493.5195 2770.2830 0.0000 0.0000 52099.9282 -109595.0927 299.4190 -161695.0209 -109231.9540 299.2102 -32.1021 -8.0613 761589.4689 0.0439 0.2200 PRESSURE: 181400 -187.644 38.4602 9.59203 38.46 -385.025 -100.125 9.59155 -100.125 -44.2631 GPRESSURE: 181400 -164.35 63.9908 11.0928 17.794 -340.057 -59.6029 -53.5616 -112.921 -17.2999 PRESSAVG: 181400 -33.5369 -23.4264 -2.69142 -23.4264 -7.22544 8.62704 -2.69134 8.62691 6.36901 GPRESSAVG: 181400 -33.5077 -24.8731 -3.79237 -23.4059 -7.35355 9.89889 -4.23698 6.38212 6.60703 TIMING: 181400 CPU: 576.873, 0.00317547/step Wall: 576.873, 0.00317547/step, 4.25037 hours remaining, 229.820312 MB of memory in use. ENERGY: 181400 3940.5249 20639.6766 14405.8150 275.8489 -203075.1236 2494.2476 0.0000 0.0000 51844.1005 -109474.9099 297.9488 -161319.0104 -109118.3257 299.1138 -205.6440 -173.9023 763552.8908 -11.4644 -11.4181 PRESSURE: 181600 -35.2483 -131.669 -29.1337 -131.669 -132.98 -37.8652 -29.1329 -37.8652 -44.6798 GPRESSURE: 181600 31.1523 -190.951 -0.591672 -171.183 -87.4159 -42.3819 80.8175 -140.464 -59.9617 PRESSAVG: 181600 -26.0395 -35.7808 9.04774 -35.7808 -2.89332 -21.6254 9.04775 -21.6253 -8.64787 GPRESSAVG: 181600 -25.7423 -34.3903 11.1016 -36.7363 -2.15092 -24.4698 9.16183 -19.6694 -9.74826 TIMING: 181600 CPU: 577.504, 0.00315583/step Wall: 577.504, 0.00315583/step, 4.22391 hours remaining, 229.820312 MB of memory in use. ENERGY: 181600 4003.2962 20484.9229 14412.1422 261.2969 -203433.4500 2722.5721 0.0000 0.0000 52304.5057 -109244.7140 300.5947 -161549.2197 -108872.6615 299.6587 -70.9693 -38.7418 760822.7178 -12.5269 -12.5471 PRESSURE: 181800 464.59 -78.3353 164.033 -78.3354 -68.3035 -125.73 164.033 -125.731 -123.935 GPRESSURE: 181800 493.096 -154.31 174.621 -24.7123 -65.0639 -95.4108 182.974 -155.428 -83.1149 PRESSAVG: 181800 2.20979 -75.436 15.5248 -75.436 10.1652 19.6291 15.5249 19.6291 17.1555 GPRESSAVG: 181800 2.9609 -75.9525 13.8086 -74.6678 9.2857 21.6482 15.773 18.6114 17.6696 TIMING: 181800 CPU: 578.141, 0.00318533/step Wall: 578.141, 0.00318533/step, 4.26321 hours remaining, 229.820312 MB of memory in use. ENERGY: 181800 3986.7342 20342.5697 14392.9898 254.4758 -203559.1162 2972.8952 0.0000 0.0000 52348.8514 -109260.6001 300.8496 -161609.4515 -108893.2459 299.8008 90.7840 114.9725 760567.3612 9.8435 9.9721 PRESSURE: 182000 123.234 -141.134 36.2259 -141.135 -215.321 -74.7172 36.2255 -74.7167 -92.8711 GPRESSURE: 182000 187.061 -63.1926 1.14149 -68.8004 -219.267 -20.6204 -4.91888 97.2874 -65.3817 PRESSAVG: 182000 39.2437 -11.9579 62.2676 -11.9578 -64.43 -0.0495853 62.2676 -0.0495711 -10.6227 GPRESSAVG: 182000 39.0812 -13.2971 62.8978 -11.0611 -64.349 -0.862351 62.8962 0.302427 -10.5405 TIMING: 182000 CPU: 578.786, 0.00322429/step Wall: 578.786, 0.00322429/step, 4.31517 hours remaining, 229.820312 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: 182000 3947.9690 20510.1446 14437.0130 269.8502 -203104.7778 2396.4704 0.0000 0.0000 51934.5195 -109608.8110 298.4684 -161543.3305 -109257.6323 299.2803 -61.6528 -32.5295 761084.8000 -11.9363 -11.9361 PRESSURE: 182200 202.055 6.52011 240.868 6.52111 8.43607 114.19 240.869 114.19 14.4673 GPRESSURE: 182200 262.077 67.3837 273.771 -16.2164 -34.1077 129.283 213.43 215.437 75.6536 PRESSAVG: 182200 60.3891 -3.23573 -5.20669 -3.23578 -65.6711 -17.7836 -5.20674 -17.7835 14.7079 GPRESSAVG: 182200 60.1054 -3.75701 -4.97905 -4.35784 -66.0639 -15.5761 -4.00619 -19.8264 15.5581 TIMING: 182200 CPU: 579.433, 0.00323315/step Wall: 579.433, 0.00323315/step, 4.32686 hours remaining, 229.820312 MB of memory in use. ENERGY: 182200 3971.4837 20627.5242 14433.0914 222.3572 -203054.0998 2265.5399 0.0000 0.0000 51835.3426 -109698.7608 297.8984 -161534.1034 -109341.8736 298.7136 74.9861 101.2076 760497.1920 3.1420 3.1999 PRESSURE: 182400 -30.0656 73.0363 -83.8709 73.036 12.595 134.563 -83.8701 134.563 -28.2308 GPRESSURE: 182400 39.1006 -49.7604 -39.9788 121.849 26.8172 83.8845 -29.1046 25.9194 -25.4914 PRESSAVG: 182400 25.5695 -15.6522 21.7913 -15.6521 19.7156 25.1747 21.7913 25.1746 1.61439 GPRESSAVG: 182400 25.7298 -14.5474 20.6168 -17.6495 21.0884 24.175 24.202 26.0513 -0.0995863 TIMING: 182400 CPU: 580.068, 0.0031764/step Wall: 580.068, 0.0031764/step, 4.25073 hours remaining, 229.820312 MB of memory in use. ENERGY: 182400 3917.0688 20615.0204 14407.0097 237.0441 -203228.7276 2325.4421 0.0000 0.0000 52061.3300 -109665.8125 299.1972 -161727.1425 -109313.3990 299.5106 -15.2338 13.4755 760073.8288 15.6332 15.5729 PRESSURE: 182600 254.291 -136.564 22.8638 -136.564 -209.168 -91.6967 22.8646 -91.6945 -125.26 GPRESSURE: 182600 293.067 -68.8999 76.1523 -28.1752 -167.253 -54.2786 21.9797 -159.813 -110.005 PRESSAVG: 182600 47.5595 -0.226547 2.35078 -0.226557 -67.8168 -13.2707 2.35085 -13.2707 -7.49366 GPRESSAVG: 182600 46.4899 -3.21179 3.19466 1.05101 -67.3262 -13.487 1.07347 -13.9786 -6.51387 TIMING: 182600 CPU: 580.701, 0.00316735/step Wall: 580.701, 0.00316735/step, 4.23845 hours remaining, 229.820312 MB of memory in use. ENERGY: 182600 3984.5808 20433.0877 14505.4598 260.8856 -203233.1792 2581.7076 0.0000 0.0000 51820.5520 -109646.9056 297.8134 -161467.4576 -109276.3120 298.4243 -26.7124 5.2697 761609.7261 -9.2503 -9.1167 PRESSURE: 182800 -164.94 61.8096 -189.927 61.8097 -82.5462 -176.042 -189.927 -176.044 67.7086 GPRESSURE: 182800 -71.689 117.295 -185.031 130.111 -72.3393 -102.169 -107.192 -238.838 53.3941 PRESSAVG: 182800 -21.0241 -52.8352 46.3172 -52.8351 -12.8489 27.8414 46.3172 27.8413 -5.71754 GPRESSAVG: 182800 -20.4976 -50.5351 46.3586 -50.2191 -12.9595 27.969 44.695 28.1194 -6.09297 TIMING: 182800 CPU: 581.34, 0.00319365/step Wall: 581.34, 0.00319365/step, 4.27345 hours remaining, 229.820312 MB of memory in use. ENERGY: 182800 4052.7837 20536.1761 14476.3649 276.0974 -203087.2679 2308.3992 0.0000 0.0000 51906.9092 -109530.5375 298.3097 -161437.4467 -109176.9431 298.9952 -59.9257 -30.2114 762075.5630 -13.1969 -13.1834 PRESSURE: 183000 93.8728 -26.0732 189.309 -26.0718 302.055 139.924 189.309 139.925 302.456 GPRESSURE: 183000 193.281 -23.2911 265.163 -62.494 329.258 167.163 254.625 186.027 246.166 PRESSAVG: 183000 -4.41742 43.3487 4.7701 43.3487 -14.5409 -9.91989 4.77007 -9.91983 -2.32498 GPRESSAVG: 183000 -4.25854 42.1581 4.96009 41.4777 -16.0015 -10.9932 4.7742 -10.1288 -0.889028 TIMING: 183000 CPU: 581.976, 0.00318079/step Wall: 581.976, 0.00318079/step, 4.25608 hours remaining, 229.945312 MB of memory in use. ENERGY: 183000 4062.1186 20558.2870 14413.5088 261.2010 -203502.2942 2670.8730 0.0000 0.0000 52016.6947 -109519.6111 298.9407 -161536.3058 -109165.3692 299.0884 232.7949 256.2352 758312.8219 -7.0944 -7.0497 PRESSURE: 183200 436.161 208.604 -81.9199 208.604 -42.594 -134.693 -81.9206 -134.694 26.3805 GPRESSURE: 183200 421.545 271.26 -77.0264 83.1763 108.582 -118.728 -131.851 -96.0499 0.624575 PRESSAVG: 183200 -10.4735 -25.3702 24.253 -25.3701 -5.09425 66.607 24.253 66.6069 -6.1016 GPRESSAVG: 183200 -10.227 -23.223 23.4831 -26.2377 -4.08736 68.3574 25.9154 66.7278 -7.78001 TIMING: 183200 CPU: 582.611, 0.0031735/step Wall: 582.611, 0.0031735/step, 4.24614 hours remaining, 229.945312 MB of memory in use. ENERGY: 183200 4060.0259 20609.8753 14435.0676 231.2987 -203922.0755 2939.2338 0.0000 0.0000 51993.8759 -109652.6983 298.8095 -161646.5742 -109291.1361 298.7931 139.9823 176.9173 760080.2617 -7.2231 -7.3648 PRESSURE: 183400 86.4004 -412.948 -16.9368 -412.948 71.4578 373.939 -16.9369 373.941 -190.018 GPRESSURE: 183400 165.852 -369.107 -3.30317 -369.902 78.6557 362.746 -96.2241 228.406 -184.789 PRESSAVG: 183400 60.0466 -63.4232 13.0786 -63.4232 -47.6615 11.4275 13.0786 11.4274 5.68798 GPRESSAVG: 183400 60.499 -64.2282 12.205 -63.3317 -50.1008 10.8991 11.886 12.4005 6.89563 TIMING: 183400 CPU: 583.245, 0.00316902/step Wall: 583.245, 0.00316902/step, 4.23998 hours remaining, 229.945312 MB of memory in use. ENERGY: 183400 4023.2960 20324.0874 14524.1577 263.2033 -203805.9623 2866.9399 0.0000 0.0000 52067.0253 -109737.2527 299.2299 -161804.2780 -109374.2081 298.5755 -10.7199 19.9065 762137.9032 6.0243 5.7646 PRESSURE: 183600 -191.136 50.062 -50.6325 50.0619 -148.835 -390.562 -50.6319 -390.561 384.396 GPRESSURE: 183600 -142.436 -94.9885 -40.0553 6.38628 -109.72 -394.191 0.25962 -262.896 378.251 PRESSAVG: 183600 24.5316 -88.5514 -16.7391 -88.5514 -34.7242 -61.166 -16.7391 -61.1659 -3.83208 GPRESSAVG: 183600 23.7052 -88.7528 -15.5797 -89.2156 -33.7396 -62.0938 -18.6279 -60.9891 -3.93445 TIMING: 183600 CPU: 583.879, 0.00317237/step Wall: 583.879, 0.00317237/step, 4.24428 hours remaining, 229.945312 MB of memory in use. ENERGY: 183600 4056.0698 20496.7896 14423.4839 242.7772 -203943.2627 2857.1432 0.0000 0.0000 52029.5936 -109837.4054 299.0148 -161866.9990 -109475.4351 298.9817 14.8083 42.0316 761405.9967 -4.6749 -4.6563 PRESSURE: 183800 27.2665 94.4799 238.71 94.4805 22.0668 49.181 238.71 49.1809 406.135 GPRESSURE: 183800 30.4437 37.9853 150.375 28.025 61.0131 -0.83106 222.163 -76.3963 448.301 PRESSAVG: 183800 46.4358 -33.9332 -38.0524 -33.9331 -22.4151 -16.5289 -38.0524 -16.5288 4.09509 GPRESSAVG: 183800 46.2664 -36.7474 -38.3601 -32.056 -22.2493 -17.1229 -37.6757 -15.4253 4.36364 TIMING: 183800 CPU: 584.512, 0.00316272/step Wall: 584.512, 0.00316272/step, 4.23119 hours remaining, 229.945312 MB of memory in use. ENERGY: 183800 3946.2033 20601.1972 14407.2086 247.8567 -203481.1930 2517.0466 0.0000 0.0000 52056.6118 -109705.0689 299.1701 -161761.6807 -109351.1828 299.1179 151.8227 179.9191 760903.7963 9.3719 9.4602 PRESSURE: 184000 -151.988 9.45375 212.608 9.45432 -276.689 5.72625 212.608 5.72604 -72.6859 GPRESSURE: 184000 -90.9858 112.719 184.25 -45.1901 -258.5 -42.5616 156.827 17.6063 -66.157 PRESSAVG: 184000 0.922675 -8.25178 27.9178 -8.25172 13.5055 -50.8538 27.9178 -50.8538 -6.15049 GPRESSAVG: 184000 1.81667 -6.73898 26.0882 -8.64861 12.985 -49.6177 30.0618 -51.2117 -6.48228 TIMING: 184000 CPU: 585.145, 0.0031679/step Wall: 585.145, 0.0031679/step, 4.23794 hours remaining, 229.945312 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: 184000 3936.9431 20589.6414 14414.9969 241.6790 -203350.8082 2558.6087 0.0000 0.0000 52001.3607 -109607.5785 298.8525 -161608.9392 -109249.8846 299.2117 -167.1212 -138.5476 759010.2252 2.7592 2.7731 PRESSURE: 184200 -86.9697 -216.759 96.6937 -216.759 58.5164 -9.16432 96.6931 -9.16491 -73.6774 GPRESSURE: 184200 -75.5178 -109.691 49.1932 -218.429 107.278 -97.358 190.981 93.7661 -62.8177 PRESSAVG: 184200 -24.4106 35.0305 72.533 35.0304 -6.18195 15.4242 72.5331 15.4242 20.2914 GPRESSAVG: 184200 -24.2878 36.2377 74.4768 34.513 -6.63113 15.4747 69.7848 15.2021 20.6168 TIMING: 184200 CPU: 585.778, 0.00316419/step Wall: 585.778, 0.00316419/step, 4.23281 hours remaining, 229.945312 MB of memory in use. ENERGY: 184200 4046.5030 20529.1370 14362.0265 243.6926 -203616.4501 2585.1705 0.0000 0.0000 52142.2844 -109707.6361 299.6624 -161849.9205 -109339.6082 299.3020 -34.0436 -10.3525 760420.1177 -3.4337 -3.4340 LDB: ============= START OF LOAD BALANCING ============== 598.203 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 598.203 LDB: =============== DONE WITH MIGRATION ================ 598.205 LDB: ============= START OF LOAD BALANCING ============== 598.522 LDB: Largest compute 7034 load 0.033113 is 17.0% of average load 0.194878 LDB: Average compute 0.004384 is 2.2% of average load 0.194878 LDB: TIME 598.525 LOAD: AVG 0.194878 MAX 0.20947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230 MB LDB: TIME 598.526 LOAD: AVG 0.194878 MAX 0.20947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.004 MB LDB: TIME 598.526 LOAD: AVG 0.194878 MAX 0.20947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.004 MB LDB: ============== END OF LOAD BALANCING =============== 598.528 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 598.532 PRESSURE: 184400 217.678 21.293 216.579 21.2935 81.6576 -1.89464 216.578 -1.89502 121.727 GPRESSURE: 184400 294.725 40.067 229.51 27.8378 58.3298 53.4452 153.156 -34.9005 153.682 PRESSAVG: 184400 -30.3357 5.58324 25.2173 5.58328 5.63601 21.7771 25.2173 21.7771 -12.3719 GPRESSAVG: 184400 -30.9494 6.66257 24.7089 4.46836 6.88347 22.052 27.3321 21.4445 -12.947 TIMING: 184400 CPU: 586.426, 0.00324062/step Wall: 586.426, 0.00324063/step, 4.33488 hours remaining, 230.132812 MB of memory in use. ENERGY: 184400 3928.7769 20442.3740 14435.3014 255.6818 -203334.0344 2507.9366 0.0000 0.0000 51976.8278 -109787.1357 298.7115 -161763.9635 -109433.2113 298.6620 140.3543 168.9124 759519.2839 -12.3572 -12.3376 PRESSURE: 184600 -140.934 149.175 -273.044 149.176 -518.746 252.841 -273.044 252.842 -36.4103 GPRESSURE: 184600 -193.293 258.104 -309.12 126.143 -378.802 165.594 -134.27 204.387 -43.1594 PRESSAVG: 184600 -42.0705 25.5957 73.7862 25.5956 9.42375 -1.67603 73.7862 -1.67601 14.7303 GPRESSAVG: 184600 -42.3693 23.9057 73.1292 25.3428 8.62693 -0.84162 73.9179 -2.30275 15.8834 TIMING: 184600 CPU: 587.064, 0.00318812/step Wall: 587.064, 0.00318812/step, 4.26447 hours remaining, 230.132812 MB of memory in use. ENERGY: 184600 4012.6369 20651.6901 14478.0375 241.4570 -203016.0438 2161.4883 0.0000 0.0000 51811.6211 -109659.1129 297.7621 -161470.7339 -109311.2686 299.5150 -232.0301 -205.0849 762518.4999 -5.9721 -5.9530 PRESSURE: 184800 184.723 207.087 -50.3295 207.087 -257.222 184.374 -50.3299 184.374 -345.802 GPRESSURE: 184800 160.463 242.662 -0.0610468 72.5794 -195.519 135.306 -111.275 235.13 -299.203 PRESSAVG: 184800 -1.66628 13.2906 -62.2309 13.2906 -24.0102 1.40981 -62.231 1.40981 -9.23121 GPRESSAVG: 184800 -1.37478 13.789 -60.5686 14.6816 -23.3022 0.547895 -63.2595 2.03588 -10.1182 TIMING: 184800 CPU: 587.7, 0.00317942/step Wall: 587.7, 0.00317942/step, 4.25266 hours remaining, 230.132812 MB of memory in use. ENERGY: 184800 4035.1530 20384.9443 14482.4747 253.4096 -203368.0764 2379.3923 0.0000 0.0000 52034.7159 -109797.9866 299.0442 -161832.7025 -109434.8545 299.2520 -139.4341 -111.4195 760819.2311 -11.6359 -11.5984 PRESSURE: 185000 -42.4714 115.512 72.5176 115.512 -169.421 -107.775 72.5178 -107.775 63.3756 GPRESSURE: 185000 52.1372 116.44 15.5833 30.1052 -162.596 -64.5573 100.256 -64.4522 52.3245 PRESSAVG: 185000 19.7955 67.8383 30.8406 67.8383 21.2454 3.68844 30.8406 3.68848 -8.15231 GPRESSAVG: 185000 20.4474 67.5005 31.0934 66.5085 20.5487 4.61905 29.9819 1.81917 -7.77238 TIMING: 185000 CPU: 588.333, 0.00316594/step Wall: 588.333, 0.00316594/step, 4.23444 hours remaining, 230.132812 MB of memory in use. ENERGY: 185000 3997.3344 20417.0165 14462.2196 251.1183 -203780.6652 2669.0014 0.0000 0.0000 52231.2976 -109752.6775 300.1740 -161983.9751 -109386.9520 298.5847 -49.5056 -19.3780 757968.7051 10.9629 11.0745 PRESSURE: 185200 46.8281 200.207 57.9227 200.208 -6.68576 -133.066 57.9235 -133.066 28.1875 GPRESSURE: 185200 78.9328 299.311 40.6702 131.444 42.9732 -140.114 125.285 -33.388 32.8959 PRESSAVG: 185200 -63.2333 -5.03704 -36.3726 -5.03702 36.0067 -15.8057 -36.3726 -15.8058 -7.13763 GPRESSAVG: 185200 -63.7428 -7.42621 -37.0296 -2.76836 36.6253 -15.8769 -35.5475 -14.2411 -6.89721 TIMING: 185200 CPU: 588.967, 0.00317003/step Wall: 588.967, 0.00317003/step, 4.23974 hours remaining, 230.132812 MB of memory in use. ENERGY: 185200 4052.9715 20523.3993 14430.8765 242.6434 -203715.9642 2559.4020 0.0000 0.0000 51989.1793 -109917.4922 298.7825 -161906.6715 -109562.5952 299.0083 22.7766 51.6006 760380.6228 -11.4547 -11.3382 PRESSURE: 185400 85.3792 -223.896 -286.461 -223.896 -61.3431 32.4395 -286.46 32.4399 178.96 GPRESSURE: 185400 82.6988 -74.7845 -328.918 -192.328 -20.8792 117.742 -255.038 124.403 214.559 PRESSAVG: 185400 -8.34898 -33.9575 -10.838 -33.9576 19.5632 21.5875 -10.8381 21.5874 29.2782 GPRESSAVG: 185400 -9.43721 -31.8539 -12.3477 -35.4427 19.2542 21.541 -10.4416 21.3677 30.1983 TIMING: 185400 CPU: 589.603, 0.00318057/step Wall: 589.603, 0.00318057/step, 4.25366 hours remaining, 230.132812 MB of memory in use. ENERGY: 185400 3938.0933 20598.3087 14409.9841 225.4063 -203754.5416 2550.0216 0.0000 0.0000 52186.2460 -109846.4816 299.9151 -162032.7276 -109478.8539 298.6035 67.6654 92.1262 759575.1684 13.4975 13.3384 PRESSURE: 185600 -208.184 77.467 136.338 77.4675 12.1191 -251.641 136.338 -251.642 -211.452 GPRESSURE: 185600 -138.849 -6.59625 96.2086 94.328 -90.5041 -176.257 79.5905 -204.93 -101.943 PRESSAVG: 185600 67.996 0.227085 32.158 0.22709 -78.0008 27.8016 32.158 27.8015 -4.01379 GPRESSAVG: 185600 68.1091 0.936405 32.4456 -1.88646 -77.5065 29.0149 31.779 26.7982 -4.25019 TIMING: 185600 CPU: 590.237, 0.00317171/step Wall: 590.237, 0.00317171/step, 4.24164 hours remaining, 230.132812 MB of memory in use. ENERGY: 185600 3995.7160 20404.3770 14432.9885 237.4833 -203266.3637 2304.2228 0.0000 0.0000 52066.2588 -109825.3173 299.2255 -161891.5761 -109456.7532 298.7981 -135.8390 -110.4322 760606.9734 -4.6729 -4.5492 PRESSURE: 185800 -246.387 -72.853 220.959 -72.8533 -80.7094 -24.4051 220.959 -24.4053 -168.557 GPRESSURE: 185800 -230.279 -150.824 179.081 37.7768 11.8602 -8.91726 81.0988 62.2605 -180.749 PRESSAVG: 185800 61.2369 -50.6161 -6.73093 -50.6161 -77.6226 4.8694 -6.73095 4.86942 -9.40287 GPRESSAVG: 185800 63.1273 -53.5101 -5.64519 -47.2909 -78.0269 4.48016 -5.99744 5.59765 -10.1677 TIMING: 185800 CPU: 590.872, 0.0031731/step Wall: 590.872, 0.0031731/step, 4.24331 hours remaining, 230.132812 MB of memory in use. ENERGY: 185800 3998.3431 20559.0141 14460.7324 249.3639 -203244.0729 2422.2459 0.0000 0.0000 51806.7511 -109747.6225 297.7341 -161554.3736 -109384.0610 298.7594 -165.2179 -133.0560 760803.9546 -8.5962 -8.3558 PRESSURE: 186000 -14.323 123.021 42.7856 123.021 -48.5801 25.9677 42.7849 25.968 303.808 GPRESSURE: 186000 -50.3362 259.089 39.0649 113.01 32.2666 -4.23031 -13.3034 13.2778 353.273 PRESSAVG: 186000 49.9651 51.6627 -22.8977 51.6626 -48.7222 -12.0028 -22.8978 -12.0028 3.40542 GPRESSAVG: 186000 48.9759 53.522 -23.11 49.0232 -49.0253 -13.1886 -24.4112 -12.6064 4.58183 TIMING: 186000 CPU: 591.51, 0.0031891/step Wall: 591.51, 0.0031891/step, 4.26453 hours remaining, 230.132812 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: 186000 3991.3646 20628.9727 14464.9572 265.2773 -203913.5891 2803.0013 0.0000 0.0000 51765.9447 -109994.0711 297.4996 -161760.0158 -109637.3711 298.5624 80.3017 111.7344 759645.1676 1.5494 1.5108 PRESSURE: 186200 74.3749 107.108 115.767 107.107 368.145 231.103 115.767 231.103 146.069 GPRESSURE: 186200 212.208 139.829 208.294 97.9323 270.643 129.174 148.005 177.58 178.27 PRESSAVG: 186200 45.7397 7.5772 -26.2723 7.57723 -62.4153 -33.3049 -26.2724 -33.3049 10.7021 GPRESSAVG: 186200 47.0576 7.04626 -26.879 9.88548 -61.0898 -32.7411 -23.9427 -32.5808 8.17227 TIMING: 186200 CPU: 592.155, 0.00322485/step Wall: 592.155, 0.00322485/step, 4.31216 hours remaining, 230.132812 MB of memory in use. ENERGY: 186200 3994.7411 20468.0624 14448.4704 271.7203 -203231.7489 2255.4791 0.0000 0.0000 51776.7300 -110016.5457 297.5616 -161793.2757 -109653.1204 298.2471 196.1966 220.3735 759661.2430 -1.9912 -1.9533 PRESSURE: 186400 232.116 -107.029 49.6086 -107.03 -72.479 143.051 49.609 143.051 347.846 GPRESSURE: 186400 359.834 -60.6505 -106.009 -210.416 -103.83 164.265 91.1008 69.0479 339.052 PRESSAVG: 186400 45.0254 29.3873 7.40511 29.3874 -17.9942 39.0842 7.40513 39.0841 -11.5759 GPRESSAVG: 186400 45.7477 29.2055 8.27598 27.7551 -19.194 38.9242 4.41285 38.4008 -10.6627 TIMING: 186400 CPU: 592.791, 0.00318/step Wall: 592.791, 0.00318/step, 4.25201 hours remaining, 230.132812 MB of memory in use. ENERGY: 186400 4091.2563 20360.3418 14497.2569 240.5480 -203597.9530 2677.6122 0.0000 0.0000 51874.7063 -109856.2315 298.1247 -161730.9378 -109494.1719 298.4916 169.1612 198.3521 758848.3614 5.1518 5.2970 PRESSURE: 186600 78.1454 139.149 -126.092 139.15 -234.446 -200.611 -126.092 -200.611 -191.001 GPRESSURE: 186600 143.839 99.443 -33.9638 216.107 -225.627 -121.096 -136.598 -177.308 -172.733 PRESSAVG: 186600 29.2185 7.75162 44.1561 7.7516 -37.9439 46.2167 44.1561 46.2168 1.46923 GPRESSAVG: 186600 29.1956 10.5352 43.0431 6.56818 -38.2566 47.1885 46.8383 45.7481 1.78153 TIMING: 186600 CPU: 593.426, 0.00317527/step Wall: 593.426, 0.00317527/step, 4.24552 hours remaining, 230.132812 MB of memory in use. ENERGY: 186600 3926.1025 20619.7610 14515.1591 232.6759 -203749.4564 2396.8014 0.0000 0.0000 52249.9126 -109809.0439 300.2810 -162058.9564 -109443.9380 298.9461 -115.7671 -84.8405 760203.6343 -2.4187 -2.4265 PRESSURE: 186800 -236.591 6.11994 57.1854 6.11973 -476.061 123.443 57.186 123.443 -21.314 GPRESSURE: 186800 -271.635 -28.6395 12.7952 -71.9471 -440.647 120.672 103.663 84.6828 69.861 PRESSAVG: 186800 19.4465 -29.7676 15.1082 -29.7676 -33.9542 59.3173 15.1082 59.3173 -22.7413 GPRESSAVG: 186800 17.6163 -31.434 15.2139 -28.4453 -33.9549 58.1941 14.8703 61.216 -21.1438 TIMING: 186800 CPU: 594.056, 0.00315112/step Wall: 594.056, 0.00315112/step, 4.21304 hours remaining, 230.132812 MB of memory in use. ENERGY: 186800 4012.5821 20477.6913 14514.6667 259.2779 -203479.6887 2390.3686 0.0000 0.0000 52164.4815 -109660.6206 299.7900 -161825.1021 -109294.2085 299.3916 -244.6551 -214.1404 761629.4580 -12.4163 -12.4942 PRESSURE: 187000 -12.358 -79.2242 -61.3457 -79.2239 7.48762 -215.819 -61.3459 -215.819 572.437 GPRESSURE: 187000 78.5892 4.00746 -42.1611 -182.194 120.523 -288.739 -62.6411 -279.517 466.44 PRESSAVG: 187000 -4.12056 -46.6059 31.1561 -46.6059 -42.851 -5.23413 31.1561 -5.23415 6.57043 GPRESSAVG: 187000 -2.77692 -46.375 30.5657 -47.002 -41.3998 -4.85332 32.1302 -6.7882 3.83278 TIMING: 187000 CPU: 594.684, 0.00313982/step Wall: 594.684, 0.00313982/step, 4.19776 hours remaining, 230.132812 MB of memory in use. ENERGY: 187000 3907.1843 20381.7132 14479.2363 267.4596 -203579.4480 2609.3720 0.0000 0.0000 52006.0827 -109928.3999 298.8797 -161934.4826 -109569.5757 298.7150 189.1889 221.8509 759980.4703 -13.4671 -13.4480 PRESSURE: 187200 208.613 -197.607 5.77394 -197.607 -259.512 199.452 5.77379 199.452 299.04 GPRESSURE: 187200 289.28 -77.405 -4.65931 -175.363 -239.691 123.363 -132.241 179.07 305.52 PRESSAVG: 187200 22.2692 -34.4369 27.8506 -34.4369 -2.55103 32.185 27.8506 32.1851 -0.974166 GPRESSAVG: 187200 21.6033 -36.3901 27.4444 -32.1604 -3.32514 31.288 26.3553 33.6333 0.96284 TIMING: 187200 CPU: 595.316, 0.00316086/step Wall: 595.316, 0.00316086/step, 4.22572 hours remaining, 230.132812 MB of memory in use. ENERGY: 187200 3959.2487 20400.6827 14422.7622 262.1835 -203491.6758 2794.8606 0.0000 0.0000 51726.4141 -109925.5241 297.2724 -161651.9382 -109565.3540 298.3127 82.7137 118.3699 760420.9422 6.2480 6.4137 PRESSURE: 187400 -427.328 4.81838 -12.7299 4.81894 32.8119 -172.964 -12.7297 -172.964 -631.853 GPRESSURE: 187400 -336.474 -18.3219 72.8987 -71.1488 -67.9662 -126.429 70.0783 -236.762 -549.122 PRESSAVG: 187400 -19.1344 -9.64126 31.2798 -9.64116 37.0763 46.7291 31.2798 46.7292 6.54152 GPRESSAVG: 187400 -18.6326 -9.95344 33.2116 -10.7288 37.2016 47.5341 31.6804 43.78 5.78364 TIMING: 187400 CPU: 595.946, 0.0031505/step Wall: 595.946, 0.0031505/step, 4.2117 hours remaining, 230.132812 MB of memory in use. ENERGY: 187400 3982.4001 20510.2645 14457.4708 255.1305 -203647.9082 2272.5966 0.0000 0.0000 52241.8783 -109928.1674 300.2348 -162170.0457 -109569.6887 298.4137 -342.1233 -317.8539 759876.2053 8.1611 8.1175 PRESSURE: 187600 -4.81077 55.8264 -352.333 55.8258 51.8705 -139.613 -352.333 -139.614 10.6317 GPRESSURE: 187600 -17.2032 93.105 -410.77 -82.1846 135.849 -202.837 -353.179 -22.5093 33.2239 PRESSAVG: 187600 -45.1899 0.462635 5.9301 0.46261 29.1571 -7.57214 5.93001 -7.57205 -2.93357 GPRESSAVG: 187600 -46.1341 1.40007 6.19817 -0.230502 30.3849 -7.92424 4.61849 -9.02664 -3.23491 TIMING: 187600 CPU: 596.576, 0.00314953/step Wall: 596.576, 0.00314953/step, 4.21022 hours remaining, 230.132812 MB of memory in use. ENERGY: 187600 3900.7903 20380.2647 14378.1520 229.5529 -203261.6424 2378.8627 0.0000 0.0000 52059.0637 -109934.9562 299.1842 -161994.0199 -109567.2323 298.4957 19.2305 50.6232 760229.2282 -6.3221 -6.3280 PRESSURE: 187800 95.2822 93.0711 165.878 93.0709 195.751 -131.008 165.878 -131.007 297.257 GPRESSURE: 187800 159.44 -18.6787 162.285 65.202 181.875 -142.86 96.0046 -120.472 341.005 PRESSAVG: 187800 -13.3428 -15.8235 11.1233 -15.8236 8.51674 12.0967 11.1233 12.0967 -10.1374 GPRESSAVG: 187800 -11.9899 -15.4117 10.1948 -15.1433 6.39079 14.1462 11.2482 15.0377 -9.43391 TIMING: 187800 CPU: 597.208, 0.00315807/step Wall: 597.208, 0.00315807/step, 4.22146 hours remaining, 230.132812 MB of memory in use. ENERGY: 187800 3964.7765 20524.1220 14415.6373 248.2482 -203522.2404 2625.6725 0.0000 0.0000 51976.1807 -109767.6032 298.7078 -161743.7839 -109409.3408 299.0686 196.0968 227.4401 759756.8528 -4.9878 -5.0110 PRESSURE: 188000 226.482 -84.7174 -56.8723 -84.7173 -38.8641 120.036 -56.8715 120.036 330.067 GPRESSURE: 188000 241.168 -127.596 -37.3863 -110.376 62.915 99.7388 -113.489 155.035 303.587 PRESSAVG: 188000 55.203 23.009 13.0676 23.009 -23.46 21.2418 13.0676 21.2418 5.93947 GPRESSAVG: 188000 54.5924 23.7599 12.6584 22.1737 -22.0807 19.7935 11.0417 20.9462 4.9786 TIMING: 188000 CPU: 597.839, 0.00315785/step Wall: 597.839, 0.00315785/step, 4.221 hours remaining, 230.132812 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: 188000 3965.2727 20418.6376 14393.7474 241.7630 -203389.7778 2520.9279 0.0000 0.0000 52059.1126 -109790.3167 299.1844 -161849.4293 -109429.8028 299.1149 172.5618 202.5566 758600.8424 12.5608 12.4967 PRESSURE: 188200 -141.887 -26.2018 122.182 -26.2023 -451.364 -170.635 122.181 -170.635 -272.548 GPRESSURE: 188200 -62.3187 56.3121 144.505 -127.438 -394.927 -138.728 20.3146 -135.169 -322.274 PRESSAVG: 188200 36.8451 -64.4137 -47.3391 -64.4136 -73.6051 31.0696 -47.3392 31.0696 -7.51142 GPRESSAVG: 188200 37.2565 -64.0208 -48.2905 -64.7571 -74.4697 30.9967 -43.2972 31.1694 -7.3374 TIMING: 188200 CPU: 598.475, 0.00318008/step Wall: 598.475, 0.00318008/step, 4.25052 hours remaining, 230.132812 MB of memory in use. ENERGY: 188200 4004.2865 20598.8359 14379.7344 249.1240 -203121.8510 2345.2738 0.0000 0.0000 51867.5501 -109677.0463 298.0835 -161544.5965 -109311.8074 298.9179 -288.6000 -259.8401 762141.1962 -14.7572 -14.8502 LDB: ============= START OF LOAD BALANCING ============== 610.9 LDB: ============== END OF LOAD BALANCING =============== 610.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 610.902 LDB: ============= START OF LOAD BALANCING ============== 611.22 LDB: Largest compute 7048 load 0.034997 is 18.0% of average load 0.194849 LDB: Average compute 0.004431 is 2.3% of average load 0.194849 LDB: TIME 611.223 LOAD: AVG 0.194849 MAX 0.210987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.68 MB LDB: TIME 611.223 LOAD: AVG 0.194849 MAX 0.210987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.68 MB LDB: TIME 611.223 LOAD: AVG 0.194849 MAX 0.210987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.68 MB LDB: ============== END OF LOAD BALANCING =============== 611.225 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 611.23 PRESSURE: 188400 -89.4235 -24.0494 -342.326 -24.0493 -2.15105 -180.667 -342.326 -180.667 196.532 GPRESSURE: 188400 -38.5699 -23.6782 -322.167 -128.289 55.3863 -245.133 -288.335 -200.834 176.402 PRESSAVG: 188400 96.0697 11.1965 -10.811 11.1965 -58.6459 -32.2694 -10.8111 -32.2694 -10.447 GPRESSAVG: 188400 96.7908 11.6629 -9.82827 11.9309 -58.0902 -33.0936 -11.6292 -32.6693 -11.5791 TIMING: 188400 CPU: 599.124, 0.00324306/step Wall: 599.124, 0.00324306/step, 4.33452 hours remaining, 229.609375 MB of memory in use. ENERGY: 188400 3950.6540 20437.6059 14388.8494 248.8870 -203271.2220 2578.3218 0.0000 0.0000 52104.3789 -109562.5250 299.4446 -161666.9039 -109190.1004 299.4674 34.9860 64.4063 762162.9177 8.9922 9.0405 PRESSURE: 188600 305.649 17.6227 52.6972 17.6226 -148.032 -26.3915 52.6971 -26.3919 -96.0546 GPRESSURE: 188600 277.514 47.6139 116.887 -34.0322 -68.5968 -42.8722 72.3483 32.5405 -68.1355 PRESSAVG: 188600 15.393 -1.53766 14.8744 -1.53764 37.1411 -35.4345 14.8744 -35.4345 -0.995992 GPRESSAVG: 188600 14.917 -3.29032 14.4603 -0.988272 35.8714 -34.1003 14.4377 -34.4764 0.382719 TIMING: 188600 CPU: 599.766, 0.00320863/step Wall: 599.766, 0.00320863/step, 4.28833 hours remaining, 229.609375 MB of memory in use. ENERGY: 188600 4050.2179 20594.1920 14461.1569 256.8331 -203416.6728 2542.5533 0.0000 0.0000 52032.7102 -109479.0093 299.0327 -161511.7195 -109128.0918 299.1108 20.5209 46.9273 760803.2897 17.1794 17.0570 PRESSURE: 188800 -132.676 11.3294 -91.2114 11.3286 -153.135 -46.3453 -91.2118 -46.3446 74.6412 GPRESSURE: 188800 -57.4729 -37.2207 -78.4804 3.83552 -147.865 27.6677 -291.345 -31.8175 75.9981 PRESSAVG: 188800 60.5107 71.7214 8.14705 71.7214 -29.3156 -30.3978 8.14707 -30.3979 6.83255 GPRESSAVG: 188800 60.7155 73.2694 8.8876 70.7131 -29.4916 -30.0934 7.53081 -30.8801 6.37558 TIMING: 188800 CPU: 600.407, 0.0032037/step Wall: 600.407, 0.0032037/step, 4.28157 hours remaining, 229.609375 MB of memory in use. ENERGY: 188800 3941.7659 20503.4517 14431.6645 235.6255 -203580.6372 2598.0255 0.0000 0.0000 52190.8075 -109679.2967 299.9413 -161870.1041 -109310.5501 298.8835 -70.3899 -43.1133 761583.4610 12.6759 12.5332 PRESSURE: 189000 -242.562 131.992 -32.3001 131.992 -166.277 -47.7182 -32.301 -47.7194 -300.698 GPRESSURE: 189000 -233.667 53.7699 -87.3343 54.5589 -157.862 -0.315247 68.3382 -29.2239 -228.531 PRESSAVG: 189000 60.6146 -24.2714 -24.4516 -24.2714 -59.4585 10.4314 -24.4516 10.4314 11.8156 GPRESSAVG: 189000 58.9801 -25.9789 -24.8194 -22.7222 -58.7353 9.88242 -25.5614 10.0096 12.7577 TIMING: 189000 CPU: 601.044, 0.00318802/step Wall: 601.044, 0.00318802/step, 4.26044 hours remaining, 229.609375 MB of memory in use. ENERGY: 189000 4007.0588 20631.7721 14439.5967 228.8094 -203495.7907 2465.7205 0.0000 0.0000 51894.7861 -109828.0471 298.2400 -161722.8332 -109482.0058 298.6711 -236.5121 -206.6867 758945.6809 4.3239 4.3342 PRESSURE: 189200 162.255 125.743 -28.016 125.744 257.974 -343.318 -28.0161 -343.32 -74.8384 GPRESSURE: 189200 193.002 57.0808 -7.34421 -31.4584 285.22 -262.36 -20.4449 -305.471 -50.8673 PRESSAVG: 189200 -48.4467 -4.43661 -67.04 -4.43658 23.8934 9.43346 -67.0401 9.43354 1.63597 GPRESSAVG: 189200 -46.8697 -2.94391 -67.15 -6.34726 22.8885 10.2535 -64.3177 11.1192 0.653338 TIMING: 189200 CPU: 601.681, 0.00318534/step Wall: 601.681, 0.00318534/step, 4.25668 hours remaining, 229.609375 MB of memory in use. ENERGY: 189200 4032.1017 20725.8958 14371.2870 237.6989 -204230.4421 2887.5621 0.0000 0.0000 52060.2871 -109915.6095 299.1912 -161975.8966 -109555.0026 299.2533 115.1303 142.4518 758223.6036 -7.6391 -7.7759 PRESSURE: 189400 -47.0731 -115.125 -180.792 -115.125 -130.303 106.1 -180.793 106.101 405.484 GPRESSURE: 189400 18.0891 -106.832 -218.025 -103.725 -58.995 105.403 -118.282 151.701 363.021 PRESSAVG: 189400 9.96967 -1.87257 -23.9945 -1.87256 18.8203 -22.5856 -23.9946 -22.5856 -1.88265 GPRESSAVG: 189400 8.26014 -4.36509 -24.0307 0.761079 22.1163 -20.8827 -24.58 -25.8246 -3.40411 TIMING: 189400 CPU: 602.319, 0.00318767/step Wall: 602.319, 0.00318767/step, 4.25962 hours remaining, 229.609375 MB of memory in use. ENERGY: 189400 3921.3599 20476.3058 14396.2303 252.2683 -203797.7822 2711.8962 0.0000 0.0000 52185.5568 -109854.1650 299.9111 -162039.7218 -109482.9833 299.0256 76.0361 107.3716 760910.5979 8.9691 8.9908 PRESSURE: 189600 -39.5204 105.179 -74.0945 105.179 -293.231 226.725 -74.0946 226.725 73.6999 GPRESSURE: 189600 64.7269 112.489 -59.3366 10.5909 -290.392 263.193 -143.631 176.411 44.1798 PRESSAVG: 189600 54.7737 26.4001 -8.88688 26.4001 -35.0199 -60.6533 -8.88692 -60.6532 -14.9176 GPRESSAVG: 189600 56.7853 25.469 -9.09938 24.2885 -38.1676 -63.2915 -10.7168 -59.8929 -13.4978 TIMING: 189600 CPU: 602.957, 0.00319347/step Wall: 602.957, 0.00319347/step, 4.26719 hours remaining, 229.609375 MB of memory in use. ENERGY: 189600 3998.2433 20545.3754 14415.0431 251.7570 -203470.9413 2397.5712 0.0000 0.0000 51919.3874 -109943.5639 298.3814 -161862.9513 -109586.8372 298.9530 -86.3504 -60.4950 760303.0512 1.6121 1.7066 PRESSURE: 189800 -306.364 203.296 -46.0847 203.296 178.881 1.18164 -46.0848 1.18104 157.817 GPRESSURE: 189800 -271.185 87.9203 -52.9619 186.14 233.987 -3.11004 -219.394 -116.295 144.114 PRESSAVG: 189800 9.97299 24.231 8.67357 24.231 -51.6468 -10.5539 8.67352 -10.554 0.991734 GPRESSAVG: 189800 9.30653 25.6953 7.14828 25.6967 -50.8396 -9.16935 11.4698 -9.47319 0.233178 TIMING: 189800 CPU: 603.592, 0.00317479/step Wall: 603.592, 0.00317479/step, 4.24205 hours remaining, 229.609375 MB of memory in use. ENERGY: 189800 4011.3667 20422.8668 14501.7935 233.9162 -203572.3395 2508.9462 0.0000 0.0000 52227.1838 -109666.2663 300.1503 -161893.4501 -109305.4281 298.8374 10.1113 35.6385 759530.5765 -13.5607 -13.7666 PRESSURE: 190000 -140.509 26.0868 -75.4746 26.0864 -45.136 51.1423 -75.4746 51.1414 275.406 GPRESSURE: 190000 -53.2555 42.6834 -118.352 54.3959 -92.3357 47.6573 4.23988 92.8581 331.065 PRESSAVG: 190000 8.83215 24.7689 -37.9292 24.7688 16.1285 -18.6128 -37.9293 -18.6128 3.25807 GPRESSAVG: 190000 9.75787 24.8946 -37.0519 23.3344 15.3798 -19.7975 -39.0665 -18.1436 3.71076 TIMING: 190000 CPU: 604.224, 0.0031559/step Wall: 604.224, 0.0031559/step, 4.21663 hours remaining, 229.609375 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: 190000 3996.3072 20488.0288 14437.7178 251.0816 -203309.7207 2434.1105 0.0000 0.0000 52002.9069 -109699.5678 298.8614 -161702.4747 -109338.6714 298.8144 29.9201 61.8245 760856.8958 9.4062 9.6162 PRESSURE: 190200 -201.549 71.1401 127.044 71.1401 -145.147 -231.28 127.044 -231.28 -9.99977 GPRESSURE: 190200 -111.137 39.4758 94.2588 38.4868 -129.351 -211.285 59.1567 -236.869 -16.5176 PRESSAVG: 190200 2.98771 43.5219 -4.95696 43.5219 3.15329 -12.9388 -4.95696 -12.9387 -11.1518 GPRESSAVG: 190200 3.03659 45.4553 -4.91365 44.4912 3.46014 -11.1189 -4.02586 -13.6013 -11.0789 TIMING: 190200 CPU: 604.857, 0.00316874/step Wall: 604.857, 0.00316874/step, 4.23362 hours remaining, 229.609375 MB of memory in use. ENERGY: 190200 3911.6987 20548.8452 14478.6793 252.4383 -203720.0076 2649.8987 0.0000 0.0000 52112.8366 -109765.6107 299.4932 -161878.4473 -109399.9629 298.6272 -118.8984 -85.6687 763463.7729 -1.6703 -1.5274 PRESSURE: 190400 185.251 79.5309 -89.5364 79.5314 -212.191 -205.395 -89.5375 -205.395 -131.038 GPRESSURE: 190400 149.941 -52.8514 -39.7606 -8.98942 -103.992 -365.404 -131.51 -56.8894 -121.852 PRESSAVG: 190400 -1.49841 28.2327 13.4196 28.2328 -19.9807 -30.8305 13.4195 -30.8306 -7.01305 GPRESSAVG: 190400 -2.2857 24.545 14.5171 28.4506 -18.574 -30.8747 10.3605 -29.6313 -7.56408 TIMING: 190400 CPU: 605.49, 0.00316449/step Wall: 605.49, 0.00316449/step, 4.22775 hours remaining, 229.609375 MB of memory in use. ENERGY: 190400 3899.3088 20665.3163 14473.0022 244.8353 -203632.6075 2665.1302 0.0000 0.0000 52081.4912 -109603.5236 299.3130 -161685.0148 -109258.5758 298.8407 -52.6593 -25.3012 760989.5198 -9.4974 -9.4746 PRESSURE: 190600 30.9287 103.605 -269.168 103.605 -81.0822 -74.432 -269.167 -74.4322 -349.394 GPRESSURE: 190600 83.2977 105.857 -279.39 -23.2248 -42.2821 -27.4263 -73.7964 -36.3391 -341.635 PRESSAVG: 190600 124.214 48.681 -27.4008 48.681 -40.4893 7.69917 -27.4008 7.69921 9.36401 GPRESSAVG: 190600 123.285 52.1843 -28.0536 47.7459 -40.7709 7.26721 -24.0772 5.83674 10.8683 TIMING: 190600 CPU: 606.126, 0.00318055/step Wall: 606.126, 0.00318055/step, 4.24904 hours remaining, 229.609375 MB of memory in use. ENERGY: 190600 4018.6351 20575.4406 14527.6327 229.7834 -202753.3706 2282.9386 0.0000 0.0000 51807.4293 -109311.5108 297.7380 -161118.9401 -108950.8641 299.5871 -133.1827 -100.2064 762117.0535 31.0296 31.1273 PRESSURE: 190800 373.088 -29.8579 278.454 -29.8579 18.204 60.1517 278.453 60.1521 -221.25 GPRESSURE: 190800 377.989 24.9547 271.289 93.1286 85.7947 -14.461 247.847 128.057 -186.898 PRESSAVG: 190800 23.8762 53.791 3.42132 53.791 -26.4389 1.831 3.42125 1.83095 -0.278551 GPRESSAVG: 190800 24.6067 52.0277 4.22536 55.3107 -26.2704 2.19961 3.76399 2.1635 -1.21879 TIMING: 190800 CPU: 606.773, 0.00323312/step Wall: 606.773, 0.00323312/step, 4.31909 hours remaining, 229.609375 MB of memory in use. ENERGY: 190800 3968.7894 20585.6845 14459.5994 256.0624 -203512.4271 2700.8642 0.0000 0.0000 52345.9866 -109195.4405 300.8331 -161541.4271 -108831.7694 299.8469 56.6808 92.2954 761022.8298 -0.9471 -0.9608 PRESSURE: 191000 -7.96828 -30.9905 76.1849 -30.991 -123.135 -18.2827 76.1853 -18.283 -677.958 GPRESSURE: 191000 -72.3382 5.01895 34.6323 -8.81543 -47.5964 18.986 198.426 -80.76 -609.172 PRESSAVG: 191000 -21.5845 35.8739 -4.84671 35.8739 4.20782 -7.99834 -4.84668 -7.99837 -32.7327 GPRESSAVG: 191000 -22.2331 37.2311 -6.27008 34.0552 4.74732 -11.4057 -5.98094 -8.2632 -32.408 TIMING: 191000 CPU: 607.423, 0.003249/step Wall: 607.423, 0.003249/step, 4.34013 hours remaining, 229.609375 MB of memory in use. ENERGY: 191000 3949.3892 20532.3784 14491.6816 257.8069 -203236.7632 2473.0280 0.0000 0.0000 52002.1177 -109530.3615 298.8569 -161532.4792 -109161.3526 299.4373 -269.6871 -243.0356 761153.9996 -16.7031 -16.6313 PRESSURE: 191200 -74.8093 -113.739 -91.8951 -113.738 -340.379 38.7787 -91.8946 38.7789 58.9873 GPRESSURE: 191200 19.4061 -44.8908 -60.0741 -84.5362 -293.418 54.7288 -23.2534 61.1738 7.23268 PRESSAVG: 191200 39.5378 28.639 29.7087 28.639 -45.1284 -29.4282 29.7087 -29.4283 17.4268 GPRESSAVG: 191200 39.8934 29.0386 29.0634 28.651 -45.8631 -28.0355 30.6051 -28.8383 17.8489 TIMING: 191200 CPU: 608.067, 0.00321945/step Wall: 608.067, 0.00321945/step, 4.30047 hours remaining, 229.609375 MB of memory in use. ENERGY: 191200 3995.0411 20375.2275 14464.3490 263.7559 -203279.7506 2497.5351 0.0000 0.0000 51996.7816 -109687.0605 298.8262 -161683.8421 -109318.0190 298.9686 -118.7336 -88.9264 760877.3972 3.9454 3.9597 PRESSURE: 191400 89.6376 55.5704 31.2252 55.5708 -180.062 122.365 31.2257 122.366 -137.391 GPRESSURE: 191400 31.2979 -102.336 27.3659 -12.3108 -119.849 151.971 -43.5385 94.562 -55.9328 PRESSAVG: 191400 33.7249 1.90873 19.2197 1.90877 -51.5861 12.7866 19.2197 12.7866 -8.92154 GPRESSAVG: 191400 32.1393 1.99866 17.1789 0.908611 -50.7189 12.6822 18.1683 12.3523 -8.84362 TIMING: 191400 CPU: 608.713, 0.00323401/step Wall: 608.713, 0.00323401/step, 4.31974 hours remaining, 229.609375 MB of memory in use. ENERGY: 191400 3888.1760 20627.6779 14461.4212 250.0680 -203368.3692 2648.5043 0.0000 0.0000 51874.9018 -109617.6200 298.1258 -161492.5218 -109261.5284 298.9262 -75.9384 -48.1613 762161.4302 -8.9276 -9.1411 PRESSURE: 191600 -76.66 72.7261 -75.7407 72.7257 -97.1118 106.874 -75.74 106.874 -52.754 GPRESSURE: 191600 -78.0035 -42.2089 -98.0999 37.2672 -57.442 55.174 -66.519 254.149 18.8044 PRESSAVG: 191600 32.8024 -72.0132 1.8334 -72.0132 4.8142 -28.9189 1.83342 -28.9189 -3.06447 GPRESSAVG: 191600 33.9398 -72.0555 5.1651 -72.9535 4.65368 -25.8885 -0.338819 -28.3191 -3.6042 TIMING: 191600 CPU: 609.358, 0.00322385/step Wall: 609.358, 0.00322385/step, 4.30599 hours remaining, 229.609375 MB of memory in use. ENERGY: 191600 3997.8942 20504.0464 14454.1418 253.8384 -203286.6922 2491.9079 0.0000 0.0000 52201.9819 -109382.8816 300.0055 -161584.8634 -109008.0484 298.8078 -75.5086 -38.8803 760516.5985 11.5174 11.6631 PRESSURE: 191800 -95.4757 -27.1849 45.9862 -27.1848 -112.343 -31.331 45.9855 -31.3312 459.051 GPRESSURE: 191800 -38.6447 -28.2182 -26.6625 -82.2021 -52.0919 -20.2163 41.07 -177.641 433.259 PRESSAVG: 191800 45.6851 22.7151 19.9898 22.7151 30.0602 -41.9357 19.9897 -41.9358 -11.0873 GPRESSAVG: 191800 46.0142 23.6094 18.6652 23.7359 29.8929 -45.1475 21.8124 -40.5876 -11.529 TIMING: 191800 CPU: 609.998, 0.00319998/step Wall: 609.998, 0.00319998/step, 4.27393 hours remaining, 229.609375 MB of memory in use. ENERGY: 191800 3979.9409 20581.5804 14511.9521 255.7203 -203357.4670 2570.1108 0.0000 0.0000 52151.5210 -109306.6414 299.7155 -161458.1624 -108943.8993 299.8421 83.7442 114.1741 760055.9772 21.5527 21.4594 PRESSURE: 192000 -101.979 78.7632 -56.4497 78.7632 -9.67653 34.3454 -56.4489 34.3448 -55.3788 GPRESSURE: 192000 -100.205 -8.0364 -148.943 48.5007 63.243 48.7753 0.809739 137.161 -42.7369 PRESSAVG: 192000 -10.4335 3.33243 9.28069 3.33239 21.6226 -17.6515 9.28071 -17.6516 16.6919 GPRESSAVG: 192000 -10.9179 1.47356 9.34124 5.33062 21.1209 -15.3802 8.84563 -18.978 17.6116 TIMING: 192000 CPU: 610.648, 0.00324664/step Wall: 610.648, 0.00324664/step, 4.33607 hours remaining, 229.609375 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: 192000 4035.8668 20519.1824 14484.7350 254.9805 -203531.1476 2589.7434 0.0000 0.0000 52133.1633 -109513.4761 299.6100 -161646.6394 -109141.4838 299.6339 -55.6780 -26.5662 760264.6724 9.2936 9.2715 PRESSURE: 192200 62.263 50.117 135.436 50.1182 62.0974 -31.8053 135.437 -31.806 110.555 GPRESSURE: 192200 -10.2736 102.735 109.347 64.2978 148.303 -72.2645 196.496 99.8864 184.463 PRESSAVG: 192200 41.4593 16.6817 1.0142 16.6818 -24.2931 -15.4584 1.01419 -15.4585 -0.436138 GPRESSAVG: 192200 42.0496 19.5926 0.461492 14.4258 -23.7699 -16.0145 2.58015 -15.967 -1.2594 TIMING: 192200 CPU: 611.295, 0.0032397/step Wall: 611.295, 0.0032397/step, 4.32662 hours remaining, 229.609375 MB of memory in use. ENERGY: 192200 3967.5273 20609.4769 14506.1107 231.6855 -203515.5780 2591.0170 0.0000 0.0000 52092.9787 -109516.7820 299.3791 -161609.7607 -109156.3388 299.1846 78.3052 107.4972 760975.4366 5.5767 5.6734 LDB: ============= START OF LOAD BALANCING ============== 623.725 LDB: ============== END OF LOAD BALANCING =============== 623.725 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 623.726 LDB: ============= START OF LOAD BALANCING ============== 624.05 LDB: Largest compute 7047 load 0.035770 is 18.4% of average load 0.194900 LDB: Average compute 0.004414 is 2.3% of average load 0.194900 LDB: TIME 624.054 LOAD: AVG 0.1949 MAX 0.210194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.957 MB LDB: TIME 624.054 LOAD: AVG 0.1949 MAX 0.210194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.094 MB LDB: TIME 624.054 LOAD: AVG 0.1949 MAX 0.210194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.094 MB LDB: ============== END OF LOAD BALANCING =============== 624.056 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 624.061 PRESSURE: 192400 -154.443 222.387 -160.687 222.387 -44.3322 80.468 -160.687 80.4684 175.618 GPRESSURE: 192400 -119.311 69.1366 -181.822 77.8194 24.1682 38.8527 -126.525 -124.918 170.798 PRESSAVG: 192400 32.2153 -36.192 37.9585 -36.1921 -54.9307 -22.0492 37.9585 -22.0492 18.3243 GPRESSAVG: 192400 31.323 -37.7894 41.4105 -35.6014 -54.4749 -23.2843 35.0563 -22.8084 18.9375 TIMING: 192400 CPU: 611.955, 0.00329731/step Wall: 611.955, 0.00329731/step, 4.40338 hours remaining, 230.828125 MB of memory in use. ENERGY: 192400 4018.1394 20513.6772 14494.3311 256.5108 -203479.3689 2709.6114 0.0000 0.0000 52200.0242 -109287.0749 299.9943 -161487.0991 -108926.9228 299.3304 -7.7189 25.2183 759954.8188 -1.4637 -1.4048 PRESSURE: 192600 322.81 -182.639 -75.8491 -182.639 139.907 -217.625 -75.8487 -217.625 423.538 GPRESSURE: 192600 210.512 -185.633 -49.6618 -149.52 295.124 -173.687 -73.0443 -188.136 466.618 PRESSAVG: 192600 83.1743 -16.6788 6.72359 -16.6789 -16.8917 15.6432 6.72366 15.6431 -10.8769 GPRESSAVG: 192600 83.336 -16.0154 4.58758 -16.7958 -18.3093 16.9596 9.95966 17.9938 -10.3948 TIMING: 192600 CPU: 612.595, 0.00320193/step Wall: 612.595, 0.00320193/step, 4.27582 hours remaining, 231.031250 MB of memory in use. ENERGY: 192600 3996.8035 20409.5375 14464.5441 243.2199 -203651.8263 2681.6945 0.0000 0.0000 52269.7335 -109586.2932 300.3949 -161856.0267 -109226.8384 299.1228 295.4185 324.0848 758775.5756 18.4686 18.2106 PRESSURE: 192800 -182.965 109.718 174.557 109.718 -125.919 56.5728 174.557 56.5727 -162.547 GPRESSURE: 192800 -121.804 22.296 95.3042 79.9654 -76.1343 224.757 154.561 109.769 -210.963 PRESSAVG: 192800 -17.0244 18.6025 -8.92221 18.6025 60.6409 26.046 -8.9222 26.046 20.2576 GPRESSAVG: 192800 -15.3766 17.8285 -9.01244 20.1182 60.2247 24.8417 -10.7519 24.4839 19.4545 TIMING: 192800 CPU: 613.239, 0.00322041/step Wall: 613.239, 0.00322041/step, 4.30032 hours remaining, 231.031250 MB of memory in use. ENERGY: 192800 3887.7621 20620.3463 14539.5028 249.6894 -203503.6869 2394.7964 0.0000 0.0000 52309.0726 -109502.5175 300.6210 -161811.5901 -109147.8376 299.2632 -157.1434 -136.3004 760634.8336 21.2914 21.4342 PRESSURE: 193000 259.576 -129.773 106.037 -129.774 20.3194 130.84 106.037 130.84 195.043 GPRESSURE: 193000 244.191 -79.8779 51.9434 -193.251 20.9538 160.803 79.6235 116.906 286.692 PRESSAVG: 193000 11.7757 -11.3988 24.8643 -11.3988 19.1449 39.9091 24.8643 39.9091 -11.1217 GPRESSAVG: 193000 11.3735 -11.6996 26.6832 -11.1803 19.2221 39.7161 25.2736 40.6673 -10.8335 TIMING: 193000 CPU: 613.883, 0.00321818/step Wall: 613.883, 0.00321818/step, 4.29716 hours remaining, 231.031250 MB of memory in use. ENERGY: 193000 4064.9609 20422.9804 14548.9866 235.1236 -203645.7875 2570.8448 0.0000 0.0000 52267.1111 -109535.7802 300.3798 -161802.8913 -109171.3097 299.4919 158.3129 183.9457 759543.5732 6.5996 6.5874 PRESSURE: 193200 51.0347 70.0458 -2.89215 70.0459 -248.117 96.4596 -2.89212 96.4591 -158.688 GPRESSURE: 193200 -83.209 101.986 -13.6562 -10.5451 -98.2398 109.906 -71.7959 103.556 -98.5513 PRESSAVG: 193200 -9.66501 -54.3739 -9.45656 -54.3739 2.18709 16.27 -9.45658 16.2699 -1.7336 GPRESSAVG: 193200 -10.4214 -53.1401 -11.8085 -55.1516 3.27214 16.332 -9.35251 17.2439 -2.00819 TIMING: 193200 CPU: 614.528, 0.00322535/step Wall: 614.528, 0.00322535/step, 4.30656 hours remaining, 231.031250 MB of memory in use. ENERGY: 193200 3963.8548 20571.5255 14493.0904 235.4989 -203255.5525 2296.4863 0.0000 0.0000 52145.7140 -109549.3826 299.6821 -161695.0966 -109187.9959 298.8926 -118.5901 -93.3334 760570.6943 -3.0705 -3.0525 PRESSURE: 193400 3.82357 120.575 -167.346 120.575 13.3481 -11.9727 -167.346 -11.9725 -42.3318 GPRESSURE: 193400 89.4943 123.339 -136.356 -17.9378 51.4748 -6.99222 -153.825 -85.8254 -72.9327 PRESSAVG: 193400 -9.75189 -36.0115 9.64342 -36.0115 42.6435 16.8282 9.64339 16.8282 19.2501 GPRESSAVG: 193400 -9.51156 -38.0227 10.1849 -35.7799 42.2153 16.7855 10.3297 14.7411 19.7706 TIMING: 193400 CPU: 615.176, 0.00324106/step Wall: 615.176, 0.00324106/step, 4.32736 hours remaining, 231.031250 MB of memory in use. ENERGY: 193400 3939.7955 20539.3200 14588.4898 236.7308 -203499.7397 2438.3710 0.0000 0.0000 52188.3549 -109568.6777 299.9272 -161757.0326 -109203.3750 298.9210 -8.3867 22.6788 758299.3490 17.3806 17.4914 PRESSURE: 193600 27.3879 -16.588 -77.4408 -16.5878 93.7494 104.18 -77.4404 104.179 169.709 GPRESSURE: 193600 73.4583 -58.665 -34.3898 -143.204 103.937 205.882 15.1503 123.435 195.03 PRESSAVG: 193600 -25.427 -29.4859 -29.6839 -29.4859 11.088 -23.8155 -29.6839 -23.8156 1.7079 GPRESSAVG: 193600 -23.9121 -30.0753 -27.7236 -27.4853 10.061 -21.9319 -29.3081 -22.7953 0.963666 TIMING: 193600 CPU: 615.814, 0.0031896/step Wall: 615.814, 0.0031896/step, 4.25847 hours remaining, 231.031250 MB of memory in use. ENERGY: 193600 4067.3654 20485.2027 14522.2048 236.1646 -202943.3961 2078.5403 0.0000 0.0000 51881.2733 -109672.6451 298.1624 -161553.9184 -109315.9435 298.8474 96.9486 124.1417 759506.7293 -4.2104 -4.2958 PRESSURE: 193800 127.833 -9.90443 -42.2968 -9.90557 33.9058 115.045 -42.2966 115.044 -49.205 GPRESSURE: 193800 58.4619 -1.40952 -120.458 85.9927 94.467 117.95 -43.5111 14.9873 42.4165 PRESSAVG: 193800 -47.9048 -23.2319 61.0776 -23.2319 -1.47566 80.1837 61.0776 80.1837 -9.3821 GPRESSAVG: 193800 -49.7841 -23.08 60.5349 -23.0978 0.309925 78.2187 57.9369 81.2014 -9.2736 TIMING: 193800 CPU: 616.454, 0.00319874/step Wall: 616.454, 0.00319874/step, 4.27049 hours remaining, 231.031250 MB of memory in use. ENERGY: 193800 3998.6234 20668.9773 14494.9741 242.6714 -203209.0648 2409.9052 0.0000 0.0000 51846.2185 -109547.6949 297.9609 -161393.9134 -109186.3607 299.0525 37.5112 65.1151 759947.4571 -19.5875 -19.5826 PRESSURE: 194000 -76.5767 -67.3213 74.0216 -67.3214 -151.8 345.653 74.0215 345.652 150.537 GPRESSURE: 194000 53.5342 -142.382 27.0234 14.4028 -114.656 289.368 145.245 236.8 57.4751 PRESSAVG: 194000 49.5371 -42.0257 -1.54219 -42.0258 5.25081 33.6195 -1.54225 33.6195 18.7444 GPRESSAVG: 194000 50.6469 -41.1321 -0.167076 -43.2026 4.69007 34.2836 -2.06187 32.7267 18.6328 TIMING: 194000 CPU: 617.092, 0.00319075/step Wall: 617.092, 0.00319075/step, 4.25965 hours remaining, 231.031250 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: 194000 4044.6193 20580.2814 14468.0923 254.6684 -203167.2122 2280.6794 0.0000 0.0000 52059.6393 -109479.2321 299.1875 -161538.8714 -109111.2974 299.5554 -25.9465 -1.2154 759345.8234 24.5108 24.6566 PRESSURE: 194200 168.207 -185.648 -119.045 -185.649 -341.274 0.701853 -119.045 0.701154 357.465 GPRESSURE: 194200 134.631 -66.5969 -130.375 -319.617 -264.832 26.2561 -28.82 24.1146 386.817 PRESSAVG: 194200 24.6825 -41.1346 -22.783 -41.1346 -48.4118 20.9359 -22.783 20.9359 -7.88205 GPRESSAVG: 194200 25.2631 -41.7172 -24.731 -40.9403 -50.226 20.582 -20.2516 22.4272 -7.29244 TIMING: 194200 CPU: 617.736, 0.00322121/step Wall: 617.736, 0.00322122/step, 4.30014 hours remaining, 231.031250 MB of memory in use. ENERGY: 194200 4034.1737 20632.9591 14427.2298 247.6116 -203571.6104 2837.4096 0.0000 0.0000 51949.3503 -109442.8764 298.5536 -161392.2267 -109083.5246 299.5158 61.4658 85.5383 760646.5254 -10.5371 -10.7518 PRESSURE: 194400 -35.2584 -17.4385 98.4755 -17.4377 -136.113 -56.232 98.4747 -56.2328 17.7293 GPRESSURE: 194400 -35.7973 -86.3315 127.04 -47.1493 -29.2518 -138.331 124.151 -57.215 -7.06437 PRESSAVG: 194400 22.4147 -31.3251 -39.0044 -31.3251 -34.9248 16.8212 -39.0044 16.8212 7.23692 GPRESSAVG: 194400 22.0235 -29.5275 -39.69 -34.9367 -34.2432 17.6033 -40.0134 15.3072 7.37566 TIMING: 194400 CPU: 618.383, 0.00323149/step Wall: 618.383, 0.00323149/step, 4.31368 hours remaining, 231.031250 MB of memory in use. ENERGY: 194400 3922.1786 20634.2816 14460.4394 247.5520 -203372.5469 2444.2060 0.0000 0.0000 52182.1142 -109481.7751 299.8913 -161663.8893 -109121.2505 299.3018 -51.2142 -24.0378 759488.1928 -1.7577 -1.6147 PRESSURE: 194600 32.9497 -66.5717 -175.828 -66.5709 82.8384 -80.5449 -175.828 -80.5452 -51.8983 GPRESSURE: 194600 54.508 -139.849 -157.736 -8.89014 102.65 -88.5565 -119.288 -98.0452 10.3226 PRESSAVG: 194600 16.9854 -14.7123 -35.7282 -14.7123 18.8131 -21.8323 -35.7282 -21.8323 -18.7246 GPRESSAVG: 194600 16.2051 -14.463 -34.1492 -11.2382 19.9907 -22.7563 -33.3254 -22.8319 -19.1011 TIMING: 194600 CPU: 619.016, 0.0031647/step Wall: 619.016, 0.0031647/step, 4.22435 hours remaining, 231.031250 MB of memory in use. ENERGY: 194600 4017.0245 20582.5510 14516.3403 242.2693 -203049.3250 2348.7086 0.0000 0.0000 51740.6564 -109601.7750 297.3543 -161342.4314 -109247.4272 299.5090 21.2966 55.8268 761051.5117 5.6913 5.6982 PRESSURE: 194800 31.4705 -156.014 208.261 -156.015 -373.975 -185.801 208.261 -185.801 3.14937 GPRESSURE: 194800 38.6693 -94.423 225.728 -174.641 -321.578 -147.345 152.521 -6.66436 40.782 PRESSAVG: 194800 10.9482 -20.8385 -5.78914 -20.8385 -43.0186 -29.292 -5.78913 -29.292 13.1361 GPRESSAVG: 194800 11.3058 -22.8522 -5.6229 -23.2826 -43.6832 -28.3311 -9.07167 -27.1398 13.1262 TIMING: 194800 CPU: 619.658, 0.00321169/step Wall: 619.658, 0.00321169/step, 4.28689 hours remaining, 231.031250 MB of memory in use. ENERGY: 194800 4057.8927 20446.8201 14462.4263 250.9102 -203323.4634 2382.8109 0.0000 0.0000 52393.7841 -109328.8191 301.1078 -161722.6033 -108964.3578 299.3926 -113.1183 -80.7088 761695.7997 -6.3114 -6.4171 PRESSURE: 195000 -42.2781 -122.095 113.026 -122.095 -99.1254 132.964 113.026 132.964 40.7292 GPRESSURE: 195000 23.2614 -159.021 187.712 -193.804 -9.46424 152.169 -10.7568 -9.17071 -47.1358 PRESSAVG: 195000 17.0164 -22.886 22.1403 -22.886 3.77121 28.283 22.1402 28.2829 16.7519 GPRESSAVG: 195000 17.8207 -23.559 21.9695 -21.1106 3.04837 28.4158 22.5604 27.1025 16.5787 TIMING: 195000 CPU: 620.305, 0.00323652/step Wall: 620.305, 0.00323652/step, 4.31986 hours remaining, 231.031250 MB of memory in use. ENERGY: 195000 3955.4395 20615.2831 14446.1194 241.3243 -203282.3075 2823.4157 0.0000 0.0000 52045.1973 -109155.5283 299.1045 -161200.7256 -108790.2723 299.7986 -33.5581 -11.1129 761470.6709 12.5132 12.4826 PRESSURE: 195200 -191.802 97.1271 -188.756 97.1265 -118.829 55.7114 -188.756 55.7121 67.2151 GPRESSURE: 195200 -124.388 16.4725 -131.861 86.855 -112.857 57.9266 -223.428 73.7135 92.6742 PRESSAVG: 195200 48.4988 -45.0487 2.09811 -45.0487 -15.4537 13.3594 2.09809 13.3594 -0.636559 GPRESSAVG: 195200 47.2226 -45.0832 0.384316 -47.0068 -14.1636 12.5321 2.04834 13.1434 -0.816338 TIMING: 195200 CPU: 620.949, 0.00322068/step Wall: 620.949, 0.00322068/step, 4.29854 hours remaining, 231.031250 MB of memory in use. ENERGY: 195200 4043.9382 20442.6396 14457.0435 248.9650 -202923.8093 2323.1523 0.0000 0.0000 52267.3561 -109140.7145 300.3812 -161408.0706 -108774.0382 299.9516 -81.1387 -48.1903 760672.9540 10.8028 10.7476 PRESSURE: 195400 -33.1516 67.1353 411.273 67.1354 -250.977 20.9323 411.272 20.9315 -182.607 GPRESSURE: 195400 -60.88 55.2823 363.763 16.099 -229.729 84.3367 406.149 129.822 -98.2654 PRESSAVG: 195400 24.3087 -16.3151 -21.7855 -16.3152 -33.5893 -16.9351 -21.7855 -16.935 17.6551 GPRESSAVG: 195400 24.7721 -16.2223 -19.5914 -14.1305 -33.7677 -17.3487 -20.0486 -16.7829 17.6904 TIMING: 195400 CPU: 621.586, 0.00318293/step Wall: 621.586, 0.00318293/step, 4.24797 hours remaining, 231.031250 MB of memory in use. ENERGY: 195400 4021.2319 20706.2416 14492.9154 234.9415 -202936.1911 2204.4514 0.0000 0.0000 52112.4023 -109164.0070 299.4907 -161276.4093 -108797.8396 300.2422 -155.5784 -129.6248 761487.9555 2.7915 2.8983 PRESSURE: 195600 -76.5257 -314.63 -110.347 -314.629 -101.891 142.699 -110.347 142.699 -149.631 GPRESSURE: 195600 -29.2651 -306.47 -188.215 -248.299 -77.6436 123.888 -78.199 126.944 -147.62 PRESSAVG: 195600 75.2357 -55.3919 45.3268 -55.3919 -45.7084 5.08941 45.3268 5.0894 -29.208 GPRESSAVG: 195600 75.3837 -54.893 44.9824 -56.7406 -46.9445 6.62278 44.4185 4.52193 -28.4957 TIMING: 195600 CPU: 622.228, 0.00321011/step Wall: 622.228, 0.00321011/step, 4.28407 hours remaining, 231.031250 MB of memory in use. ENERGY: 195600 4009.6101 20460.2037 14516.8545 251.5178 -203540.6756 2682.2793 0.0000 0.0000 52426.2275 -109193.9827 301.2942 -161620.2102 -108829.4245 299.9604 -109.3492 -84.8428 761946.0163 0.1064 -0.0188 PRESSURE: 195800 -41.5693 2.4194 25.0038 2.41921 20.7039 76.987 25.0046 76.9877 254.617 GPRESSURE: 195800 -50.2444 -16.2197 41.2066 -66.7777 56.396 22.1643 218.922 78.2785 308.459 PRESSAVG: 195800 58.5501 -85.19 12.8074 -85.19 -35.6917 32.8401 12.8074 32.8402 16.0908 GPRESSAVG: 195800 58.3861 -83.0233 12.9896 -85.9597 -34.6952 31.6462 12.5852 32.4898 14.9648 TIMING: 195800 CPU: 622.872, 0.00321887/step Wall: 622.872, 0.00321887/step, 4.29558 hours remaining, 231.031250 MB of memory in use. ENERGY: 195800 3911.7906 20414.3136 14528.2022 256.3779 -203425.6223 2697.4975 0.0000 0.0000 52460.4398 -109157.0008 301.4909 -161617.4406 -108780.7031 300.1828 77.9172 104.8702 762470.6407 12.9830 12.8853 PRESSURE: 196000 -304.064 102.682 81.8993 102.682 -90.2468 -59.9402 81.9001 -59.94 -172.248 GPRESSURE: 196000 -260.561 79.5763 129.45 31.8544 -60.8953 25.094 103.872 -8.61846 -121.379 PRESSAVG: 196000 -3.84821 -47.1184 -0.0447468 -47.1184 5.02756 4.73267 -0.0447558 4.73269 7.79924 GPRESSAVG: 196000 -3.71048 -48.9591 -1.48809 -45.0508 5.13617 5.26733 -0.513281 4.70052 7.95889 TIMING: 196000 CPU: 623.522, 0.00325353/step Wall: 623.522, 0.00325353/step, 4.34165 hours remaining, 231.031250 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: 196000 4092.6900 20473.9030 14514.9528 229.5104 -202883.1225 2176.6722 0.0000 0.0000 52129.0450 -109266.3491 299.5863 -161395.3941 -108903.8526 300.1476 -188.8528 -147.6118 761418.6452 2.9929 3.1282 PRESSURE: 196200 -118.11 -80.91 -255.337 -80.9105 -132.231 134.866 -255.336 134.865 -446.984 GPRESSURE: 196200 -86.933 8.85404 -206.221 -52.4374 -131.125 151.431 -249.424 78.304 -417.35 PRESSAVG: 196200 26.6043 -11.5013 36.5725 -11.5013 -32.4656 -13.3666 36.5725 -13.3665 -4.89143 GPRESSAVG: 196200 26.6733 -13.3727 37.5512 -12.908 -33.0535 -15.8348 35.9957 -12.2349 -4.04772 TIMING: 196200 CPU: 624.159, 0.00318446/step Wall: 624.159, 0.00318446/step, 4.2493 hours remaining, 231.031250 MB of memory in use. ENERGY: 196200 4064.9335 20559.1681 14493.9434 263.5019 -203485.6560 2625.0660 0.0000 0.0000 52463.5110 -109015.5321 301.5085 -161479.0431 -108654.0664 300.1282 -232.4417 -211.8028 761070.9089 -3.5843 -3.4760 LDB: ============= START OF LOAD BALANCING ============== 636.586 LDB: ============== END OF LOAD BALANCING =============== 636.586 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 636.588 LDB: ============= START OF LOAD BALANCING ============== 636.904 LDB: Largest compute 7033 load 0.034471 is 17.7% of average load 0.194877 LDB: Average compute 0.004411 is 2.3% of average load 0.194877 LDB: TIME 636.907 LOAD: AVG 0.194877 MAX 0.211916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.254 MB LDB: TIME 636.908 LOAD: AVG 0.194877 MAX 0.211916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.293 MB LDB: TIME 636.908 LOAD: AVG 0.194877 MAX 0.211916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.293 MB LDB: ============== END OF LOAD BALANCING =============== 636.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 636.915 PRESSURE: 196400 20.5146 127.076 88.8075 127.076 70.475 -64.4982 88.8078 -64.4989 -0.12882 GPRESSURE: 196400 -18.405 122.133 117.194 88.0313 135.171 -78.3463 -45.6285 -74.046 35.8548 PRESSAVG: 196400 17.3627 -36.5012 16.3125 -36.5011 25.9623 -17.5364 16.3125 -17.5364 -11.3469 GPRESSAVG: 196400 16.9678 -32.572 16.5115 -34.8707 26.4083 -16.4879 15.4757 -18.7717 -11.8954 TIMING: 196400 CPU: 624.809, 0.00324816/step Wall: 624.809, 0.00324816/step, 4.33412 hours remaining, 230.449219 MB of memory in use. ENERGY: 196400 4054.3129 20442.8622 14537.4978 255.5100 -202718.2596 2229.7452 0.0000 0.0000 52222.4636 -108975.8680 300.1232 -161198.3316 -108624.2203 300.1710 30.2870 50.8736 761199.4625 10.6594 10.4935 PRESSURE: 196600 66.8177 179.886 51.0616 179.886 -28.2374 93.2088 51.0614 93.2085 7.17662 GPRESSURE: 196600 84.3812 140.093 11.0858 145.585 50.8496 97.4866 50.5759 53.5309 -2.18185 PRESSAVG: 196600 -42.5057 -40.3991 -52.5075 -40.399 29.9195 -31.0666 -52.5075 -31.0665 0.533246 GPRESSAVG: 196600 -43.2713 -44.6222 -52.2318 -40.0189 30.5289 -29.4309 -50.6995 -30.649 0.696948 TIMING: 196600 CPU: 625.445, 0.00317955/step Wall: 625.445, 0.00317955/step, 4.2424 hours remaining, 230.578125 MB of memory in use. ENERGY: 196600 4071.4624 20633.8583 14505.3229 251.8999 -203041.7604 2400.7942 0.0000 0.0000 52041.5490 -109136.8737 299.0835 -161178.4227 -108793.3685 299.8761 15.2523 44.3496 762036.5915 -4.0176 -4.0151 PRESSURE: 196800 -336.326 -76.3743 -44.4345 -76.3748 -765.761 -299.291 -44.4346 -299.291 -279.61 GPRESSURE: 196800 -274.704 -128.38 -72.7896 -102.916 -670.033 -220.318 -76.5078 -255.827 -331.355 PRESSAVG: 196800 31.2006 -63.007 -18.7855 -63.0069 -16.5365 18.7903 -18.7855 18.7903 -14.4913 GPRESSAVG: 196800 32.4723 -60.7197 -19.6814 -63.9925 -17.1244 18.8186 -19.4115 15.6647 -15.7177 TIMING: 196800 CPU: 626.083, 0.00319131/step Wall: 626.083, 0.00319131/step, 4.25791 hours remaining, 230.578125 MB of memory in use. ENERGY: 196800 4011.7509 20650.8405 14465.0960 264.7502 -203151.9881 2382.4474 0.0000 0.0000 52130.6614 -109246.4417 299.5956 -161377.1031 -108882.2571 300.3876 -460.5655 -425.3641 762318.3365 0.0576 -0.1233 PRESSURE: 197000 312.058 53.6671 47.4847 53.666 230.393 131.799 47.4844 131.799 -92.2195 GPRESSURE: 197000 295.741 96.596 -59.6461 73.7106 268.862 138.657 68.2816 120.463 -34.2273 PRESSAVG: 197000 51.9918 -24.0313 -15.2179 -24.0312 -53.8921 -1.80634 -15.218 -1.80629 12.3867 GPRESSAVG: 197000 50.5922 -25.6079 -16.7218 -22.9999 -53.7505 -2.13681 -13.9061 -0.980083 13.253 TIMING: 197000 CPU: 626.729, 0.00322807/step Wall: 626.729, 0.00322807/step, 4.30679 hours remaining, 230.578125 MB of memory in use. ENERGY: 197000 3989.8480 20525.3738 14553.3081 234.6600 -203559.7686 2839.9151 0.0000 0.0000 52270.4000 -109146.2637 300.3987 -161416.6636 -108779.4943 300.0806 150.0774 176.7919 762319.8041 3.4955 3.3649 PRESSURE: 197200 62.666 59.3204 47.7742 59.3214 -110.131 65.6916 47.7747 65.691 -289.068 GPRESSURE: 197200 15.9615 80.5486 -1.77949 22.1391 -51.6154 -49.6469 166.855 -38.2185 -206.838 PRESSAVG: 197200 37.1557 -67.3514 -4.50986 -67.3515 -18.6828 75.4092 -4.5098 75.4093 22.8925 GPRESSAVG: 197200 37.0817 -65.2046 -1.91747 -69.3477 -17.9957 76.857 -6.26575 76.5291 21.912 TIMING: 197200 CPU: 627.371, 0.00321234/step Wall: 627.371, 0.00321234/step, 4.28562 hours remaining, 230.578125 MB of memory in use. ENERGY: 197200 3929.5433 20574.1580 14528.4756 244.2526 -203095.9650 2324.1210 0.0000 0.0000 52064.3720 -109431.0425 299.2147 -161495.4145 -109079.3967 299.6587 -112.1774 -80.8305 761868.4588 13.7884 13.6660 PRESSURE: 197400 -101.461 153.92 147.001 153.921 -381.991 -208.047 147.002 -208.047 -284.66 GPRESSURE: 197400 -82.583 179.361 99.7194 207.282 -390.655 -145.095 156.771 -213.453 -195.51 PRESSAVG: 197400 10.5031 -22.4451 3.95019 -22.4451 -23.407 13.4855 3.95023 13.4855 -2.45614 GPRESSAVG: 197400 11.5257 -22.6328 1.70113 -23.6413 -24.8249 13.4556 4.53899 14.5806 -1.76696 TIMING: 197400 CPU: 628.008, 0.00318573/step Wall: 628.008, 0.00318573/step, 4.24994 hours remaining, 230.578125 MB of memory in use. ENERGY: 197400 4047.0614 20516.2246 14451.0427 259.2352 -202953.5768 2416.8143 0.0000 0.0000 51786.9395 -109476.2592 297.6203 -161263.1987 -109115.6330 299.1227 -256.0375 -222.9159 763895.0169 -5.1200 -5.0221 PRESSURE: 197600 -69.1707 -58.0454 264.478 -58.0459 -240.406 103.857 264.478 103.857 416.612 GPRESSURE: 197600 0.707466 -79.3399 323.227 -57.0129 -202.514 106.517 281.869 98.6664 383.03 PRESSAVG: 197600 20.0017 32.1346 50.4569 32.1346 -41.0621 34.6081 50.4569 34.6082 1.66113 GPRESSAVG: 197600 19.3628 29.7597 52.656 34.9479 -40.5995 32.466 51.2216 34.3156 1.83477 TIMING: 197600 CPU: 628.643, 0.00317161/step Wall: 628.643, 0.00317161/step, 4.23093 hours remaining, 230.578125 MB of memory in use. ENERGY: 197600 3934.4684 20522.5111 14503.7076 234.4346 -203363.9816 2410.1872 0.0000 0.0000 52426.9694 -109331.7034 301.2985 -161758.6728 -108966.3112 299.2297 35.6783 60.4077 760212.9543 -6.4664 -6.4673 PRESSURE: 197800 -342.992 -75.9751 247.794 -75.9753 -258.11 -150.537 247.794 -150.537 -906.774 GPRESSURE: 197800 -209.462 -10.0519 123.069 -79.513 -363.509 -220.608 197.612 34.4378 -861.208 PRESSAVG: 197800 65.0046 -48.4546 53.9164 -48.4546 -83.1949 17.5317 53.9165 17.5316 15.9269 GPRESSAVG: 197800 65.3414 -47.6415 53.0084 -50.5041 -82.6867 16.4682 51.8508 17.3494 14.7738 TIMING: 197800 CPU: 629.279, 0.00318291/step Wall: 629.279, 0.00318291/step, 4.24582 hours remaining, 230.785156 MB of memory in use. ENERGY: 197800 4013.1498 20521.6177 14550.9981 227.0366 -203411.7166 2557.5187 0.0000 0.0000 52194.2663 -109347.1296 299.9612 -161541.3958 -108982.7158 299.9151 -502.6251 -478.0596 762574.4134 -0.7544 -0.8572 PRESSURE: 198000 -296.153 -30.2417 -118.116 -30.2417 158.405 223.404 -118.116 223.403 34.6357 GPRESSURE: 198000 -283.471 -18.8367 -100.552 -36.6783 210.689 160.578 -68.0885 176.654 55.9998 PRESSAVG: 198000 20.7441 -51.9183 17.7977 -51.9183 -29.2272 47.9514 17.7978 47.9514 -3.72848 GPRESSAVG: 198000 21.3785 -51.8304 17.6152 -51.1675 -29.6802 49.9464 18.3803 45.7562 -2.94804 TIMING: 198000 CPU: 629.919, 0.0031992/step Wall: 629.919, 0.0031992/step, 4.26737 hours remaining, 230.785156 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: 198000 3958.9702 20360.8677 14593.4663 247.9753 -203528.2789 2578.8146 0.0000 0.0000 52196.5806 -109591.6042 299.9745 -161788.1847 -109224.9850 299.4456 -34.3709 -5.5939 761529.1353 -4.0705 -3.7499 PRESSURE: 198200 -280.082 -24.3361 156.912 -24.3365 -116.299 -50.5484 156.911 -50.5491 -49.6393 GPRESSURE: 198200 -195.674 -73.6804 174.776 -42.9413 -164.219 -54.0571 11.8725 -90.2158 4.4438 PRESSAVG: 198200 23.5308 -13.3099 10.1555 -13.3099 -10.9808 -39.4438 10.1555 -39.4438 -8.70826 GPRESSAVG: 198200 24.1485 -14.042 9.24333 -12.8978 -10.4382 -38.1776 10.9977 -40.4291 -10.0265 TIMING: 198200 CPU: 630.572, 0.00326481/step Wall: 630.572, 0.00326481/step, 4.35471 hours remaining, 230.785156 MB of memory in use. ENERGY: 198200 3876.0240 20505.6545 14424.8340 233.1945 -203397.6547 2588.3212 0.0000 0.0000 51900.2882 -109869.3382 298.2717 -161769.6265 -109513.4578 298.6965 -148.6737 -118.4829 762289.8756 1.2806 1.2279 PRESSURE: 198400 -143.81 -72.1803 -6.42438 -72.1804 -109.425 -143.121 -6.42397 -143.12 127.163 GPRESSURE: 198400 -191.621 13.3301 15.0521 -68.4732 -43.2907 -151.083 61.9153 -63.2535 185.853 PRESSAVG: 198400 -0.0360883 15.6349 27.1522 15.6349 10.1712 -14.4344 27.1522 -14.4344 -16.7153 GPRESSAVG: 198400 -1.45254 16.028 28.4833 16.2871 9.71535 -16.0554 24.98 -12.1987 -14.6754 TIMING: 198400 CPU: 631.224, 0.00326082/step Wall: 631.224, 0.00326082/step, 4.34921 hours remaining, 230.785156 MB of memory in use. ENERGY: 198400 3983.4794 20290.4417 14441.2167 246.0771 -203170.4890 2430.7666 0.0000 0.0000 52050.0853 -109728.4221 299.1326 -161778.5074 -109365.8494 298.7321 -42.0240 -16.3529 761430.2129 -2.1934 -2.1375 PRESSURE: 198600 143.999 -103.68 -68.2087 -103.68 15.0401 159.116 -68.2087 159.115 329.622 GPRESSURE: 198600 179.265 -139.223 -6.98078 -163.916 -16.3145 238.614 7.14776 102.816 408.848 PRESSAVG: 198600 31.7688 -15.9736 36.0051 -15.9736 -37.8396 8.81493 36.0052 8.81494 7.547 GPRESSAVG: 198600 31.0293 -13.3669 36.4136 -17.7701 -37.2852 9.93641 37.6274 7.42123 7.71522 TIMING: 198600 CPU: 631.87, 0.00322729/step Wall: 631.87, 0.00322729/step, 4.30431 hours remaining, 230.785156 MB of memory in use. ENERGY: 198600 4012.7511 20442.6974 14482.6259 265.4860 -203484.9528 2718.1040 0.0000 0.0000 52061.9174 -109501.3711 299.2006 -161563.2885 -109134.0062 298.7005 162.8869 190.5995 760573.4332 0.4921 0.4864 PRESSURE: 198800 -143.784 -142.948 118.24 -142.948 -9.23994 85.2012 118.239 85.2019 170.589 GPRESSURE: 198800 -130.981 -156.84 106.94 -125.067 51.9135 92.4749 29.7277 -9.56379 183.735 PRESSAVG: 198800 -10.532 -24.065 -19.2675 -24.0651 -10.0033 48.7396 -19.2676 48.7396 -0.118412 GPRESSAVG: 198800 -9.45237 -25.6755 -18.9584 -22.8704 -10.5529 48.2067 -18.6634 49.1686 -1.11961 TIMING: 198800 CPU: 632.517, 0.00323423/step Wall: 632.517, 0.00323423/step, 4.31339 hours remaining, 230.785156 MB of memory in use. ENERGY: 198800 3927.5392 20576.5059 14524.2184 260.3492 -203088.2396 2387.5105 0.0000 0.0000 51920.0211 -109492.0952 298.3851 -161412.1163 -109135.0649 299.2189 5.8551 34.8894 760753.1931 -6.8846 -7.0416 PRESSURE: 199000 -286.97 16.0684 -13.5061 16.0679 159.587 -307.104 -13.506 -307.104 -593.398 GPRESSURE: 199000 -196.289 208.963 2.75982 160.02 109.164 -242.417 -38.3377 -231.23 -546.437 PRESSAVG: 199000 -16.3543 23.451 -19.6753 23.451 15.3132 47.7021 -19.6752 47.7021 -40.4349 GPRESSAVG: 199000 -17.6532 24.9151 -18.7299 23.0379 16.8157 48.6226 -20.8981 47.5216 -40.9131 TIMING: 199000 CPU: 633.16, 0.0032184/step Wall: 633.16, 0.0032184/step, 4.2921 hours remaining, 230.785156 MB of memory in use. ENERGY: 199000 4059.3816 20509.9557 14526.8100 245.1844 -203121.3565 2398.4821 0.0000 0.0000 51993.9837 -109387.5589 298.8101 -161381.5426 -109043.0710 298.9280 -240.2601 -211.1874 759802.4288 -13.8253 -13.9169 PRESSURE: 199200 65.7413 -145.257 -39.6944 -145.256 -5.86116 -157.593 -39.6945 -157.593 217.939 GPRESSURE: 199200 36.0243 -37.2081 0.472576 -147.709 96.9069 -133.055 37.2457 -151.2 225.318 PRESSAVG: 199200 -38.2539 28.5011 22.0768 28.5011 -13.904 -43.2853 22.0769 -43.2853 0.871736 GPRESSAVG: 199200 -36.8456 28.459 20.4353 28.3898 -15.0177 -43.014 25.7017 -43.2289 0.818663 TIMING: 199200 CPU: 633.797, 0.00318447/step Wall: 633.797, 0.00318447/step, 4.24667 hours remaining, 230.785156 MB of memory in use. ENERGY: 199200 3974.2338 20488.6631 14480.3135 253.9401 -202968.5096 2515.9516 0.0000 0.0000 51862.7923 -109392.6151 298.0562 -161255.4074 -109032.2410 299.5201 92.6062 119.4165 761008.0591 -17.0954 -17.0149 PRESSURE: 199400 -105.038 -34.0222 91.7344 -34.0221 -338.967 27.5465 91.7347 27.5465 -323.638 GPRESSURE: 199400 -113.095 41.923 148.291 -62.6152 -239 -14.917 10.3098 -52.1263 -357.474 PRESSAVG: 199400 16.6789 1.8065 15.7314 1.8065 -23.3945 -24.6588 15.7313 -24.6589 18.3723 GPRESSAVG: 199400 14.4631 -0.0298955 16.3611 3.15932 -23.242 -27.2224 14.2826 -25.3756 20.4432 TIMING: 199400 CPU: 634.432, 0.00317321/step Wall: 634.432, 0.00317321/step, 4.23148 hours remaining, 230.785156 MB of memory in use. ENERGY: 199400 4009.1130 20540.4712 14426.5378 253.7464 -203047.5362 2354.7950 0.0000 0.0000 52051.1238 -109411.7491 299.1385 -161462.8729 -109051.7979 298.9104 -255.8811 -236.5231 760168.6246 3.8856 3.8881 PRESSURE: 199600 -209.95 -166.51 366.621 -166.51 -99.4677 103.656 366.621 103.655 -129.257 GPRESSURE: 199600 -70.4978 -195.449 410.603 -87.2863 -127.306 136.789 284.841 32.5277 -149.047 PRESSAVG: 199600 30.373 -14.0762 27.1687 -14.0762 -29.0604 37.2927 27.1687 37.2926 -8.16692 GPRESSAVG: 199600 32.4434 -14.1877 27.4647 -15.4237 -29.8254 38.0341 25.0597 38.3528 -9.51087 TIMING: 199600 CPU: 635.07, 0.00318923/step Wall: 635.07, 0.00318923/step, 4.25267 hours remaining, 230.785156 MB of memory in use. ENERGY: 199600 3994.3179 20420.5631 14498.9787 264.1657 -202909.5852 2348.0194 0.0000 0.0000 52075.1265 -109308.4140 299.2765 -161383.5405 -108944.3037 299.3274 -146.2248 -115.6169 760883.2939 -2.2848 -2.2976 PRESSURE: 199800 101.045 -165.688 178.973 -165.689 309.908 -72.5577 178.974 -72.558 0.17872 GPRESSURE: 199800 151.195 -184.332 154.991 -227.381 352.474 -64.5117 247.017 -34.2332 -14.2554 PRESSAVG: 199800 -9.96927 14.0814 69.2703 14.0814 51.2209 76.5686 69.2703 76.5686 -16.2347 GPRESSAVG: 199800 -10.4693 14.3579 68.7707 12.2821 50.7303 77.1432 69.5619 76.4399 -15.6033 TIMING: 199800 CPU: 635.705, 0.00317866/step Wall: 635.705, 0.00317866/step, 4.23839 hours remaining, 230.785156 MB of memory in use. ENERGY: 199800 4040.7355 20413.6032 14509.7444 245.0191 -203413.4178 2667.9185 0.0000 0.0000 52198.1450 -109338.2520 299.9835 -161536.3971 -108988.1024 299.5165 137.0440 163.1379 757994.0306 8.3390 8.2192 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.014 seconds, 230.785 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.005 seconds, 230.785 MB of memory in use PRESSURE: 200000 -292.505 -250.262 291.057 -250.263 172.882 -164.224 291.057 -164.224 151.611 GPRESSURE: 200000 -178.23 -220.57 333.461 -123.096 187.422 -174.419 262.862 -63.7297 109.294 PRESSAVG: 200000 20.514 -72.2554 64.1355 -72.2554 -18.2737 29.5743 64.1354 29.5743 22.0039 GPRESSAVG: 200000 21.1672 -71.1086 64.3157 -70.446 -17.7937 27.202 65.6504 29.7018 21.0732 TIMING: 200000 CPU: 636.375, 0.0033492/step Wall: 636.375, 0.0033492/step, 4.4656 hours remaining, 230.789062 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: 200000 4006.6394 20582.3799 14545.9260 239.9930 -203284.2434 2514.4472 0.0000 0.0000 52117.3171 -109277.5407 299.5189 -161394.8578 -108923.4950 299.4841 10.6629 39.4954 760234.7321 8.0814 8.1489 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 PRESSURE: 200200 213.444 -14.7234 -180.622 -14.7233 -211.614 106.515 -180.622 106.515 -183.346 GPRESSURE: 200200 214.947 -5.06953 -81.5862 -36.7601 -169.35 148.885 -78.0003 171.988 -137.749 PRESSAVG: 200200 25.4917 -59.5527 44.9088 -59.5527 -16.1889 26.9265 44.9088 26.9265 24.1843 GPRESSAVG: 200200 24.6204 -60.9624 45.9731 -59.9906 -16.0426 29.2836 42.9653 26.7376 24.1177 TIMING: 200200 CPU: 637.025, 0.00324881/step Wall: 637.025, 0.00324881/step, 4.33157 hours remaining, 230.789062 MB of memory in use. ENERGY: 200200 4010.4159 20348.2107 14484.8816 245.3125 -202989.1080 2315.5467 0.0000 0.0000 52219.9424 -109364.7982 300.1087 -161584.7406 -108994.4734 299.6429 -60.5052 -30.7173 761206.7718 11.1624 10.8985 LDB: ============= START OF LOAD BALANCING ============== 649.457 LDB: ============== END OF LOAD BALANCING =============== 649.457 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.458 LDB: ============= START OF LOAD BALANCING ============== 649.786 LDB: Largest compute 7033 load 0.035926 is 18.4% of average load 0.194789 LDB: Average compute 0.004397 is 2.3% of average load 0.194789 LDB: TIME 649.789 LOAD: AVG 0.194789 MAX 0.209124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.191 MB LDB: TIME 649.79 LOAD: AVG 0.194789 MAX 0.209124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.195 MB LDB: TIME 649.79 LOAD: AVG 0.194789 MAX 0.209124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.195 MB LDB: ============== END OF LOAD BALANCING =============== 649.792 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.797 PRESSURE: 200400 -282.571 101.671 -55.8352 101.672 -21.5888 99.564 -55.8348 99.5638 -28.216 GPRESSURE: 200400 -244.933 18.2889 -31.2885 145.077 37.3981 146.496 10.7117 52.2657 -47.0916 PRESSAVG: 200400 11.1897 -47.3032 22.611 -47.3031 -15.6295 43.6081 22.611 43.6082 12.7038 GPRESSAVG: 200400 11.2396 -48.3007 23.1029 -47.9903 -16.1835 43.4434 24.9156 43.4539 13.478 TIMING: 200400 CPU: 637.691, 0.0033286/step Wall: 637.691, 0.0033286/step, 4.43776 hours remaining, 229.625000 MB of memory in use. ENERGY: 200400 3943.1018 20562.1479 14462.0837 249.9561 -202914.0095 2312.7496 0.0000 0.0000 52074.4794 -109309.4911 299.2727 -161383.9705 -108947.2364 299.4287 -110.7920 -84.8754 761790.9685 2.7547 2.8447 PRESSURE: 200600 155.8 203.177 -54.0578 203.177 -81.0116 -153.207 -54.0576 -153.206 -87.0991 GPRESSURE: 200600 153.826 197.637 42.9546 222.104 4.7768 -150.197 -50.1104 -97.8931 -71.3866 PRESSAVG: 200600 15.0499 -27.7789 40.0971 -27.779 2.13474 1.57601 40.0971 1.576 -15.2875 GPRESSAVG: 200600 14.634 -24.4396 40.5109 -28.0869 2.82705 -0.0323509 36.4697 1.33399 -15.4431 TIMING: 200600 CPU: 638.342, 0.00325748/step Wall: 638.342, 0.00325748/step, 4.34277 hours remaining, 229.824219 MB of memory in use. ENERGY: 200600 4021.5263 20450.0971 14402.6812 234.3418 -202862.7275 2394.3117 0.0000 0.0000 52293.8225 -109065.9467 300.5333 -161359.7692 -108689.4874 299.9597 -4.1035 29.0720 760883.5452 0.6324 0.6726 PRESSURE: 200800 139.954 -19.5274 -109.66 -19.5273 361.028 -156.115 -109.66 -156.114 228.118 GPRESSURE: 200800 153.619 -22.4537 -95.3776 -38.4423 440.432 -153.186 -64.5209 -42.9155 215.979 PRESSAVG: 200800 -32.4245 -0.329721 26.4597 -0.329737 38.2865 0.529629 26.4597 0.529735 28.2283 GPRESSAVG: 200800 -32.6528 -1.94809 25.156 1.57615 37.5917 0.15118 29.5972 1.8901 28.9291 TIMING: 200800 CPU: 638.992, 0.00325093/step Wall: 638.992, 0.00325093/step, 4.33385 hours remaining, 229.824219 MB of memory in use. ENERGY: 200800 3966.0972 20611.9866 14442.7412 250.7726 -203284.9763 2581.2591 0.0000 0.0000 52260.0198 -109172.0997 300.3391 -161432.1195 -108815.4920 300.1371 243.0331 270.0100 759755.4900 11.3634 11.2893 PRESSURE: 201000 -200.29 -103.066 -84.3642 -103.067 101.055 -262.426 -84.364 -262.426 -159.34 GPRESSURE: 201000 -166.273 -93.0803 -108.432 -132.061 157.206 -182.623 -232.026 -202.232 -149.207 PRESSAVG: 201000 34.5163 -72.9665 27.0695 -72.9665 13.5868 -13.6702 27.0695 -13.6701 -8.79701 GPRESSAVG: 201000 34.8789 -73.0955 26.7569 -76.58 13.5328 -13.968 26.8273 -16.1493 -9.66348 TIMING: 201000 CPU: 639.64, 0.00323779/step Wall: 639.64, 0.00323779/step, 4.31615 hours remaining, 229.824219 MB of memory in use. ENERGY: 201000 3950.0439 20645.8536 14471.8433 250.0945 -203122.7780 2527.1245 0.0000 0.0000 52083.0321 -109194.7859 299.3219 -161277.8181 -108838.9210 300.1321 -86.1918 -52.7580 762256.6738 13.1020 12.9161 PRESSURE: 201200 -63.7931 -80.3659 112.361 -80.3659 271.465 -320.992 112.36 -320.993 345.625 GPRESSURE: 201200 -0.184813 -124.653 52.9303 -74.2439 382.967 -208.542 68.4257 -295.361 256.705 PRESSAVG: 201200 39.0275 -50.6637 55.9053 -50.6637 -8.51446 4.12112 55.9054 4.12105 -3.84296 GPRESSAVG: 201200 38.1333 -51.8504 55.0404 -46.2262 -7.89007 6.36104 55.1724 3.99219 -3.3193 TIMING: 201200 CPU: 640.287, 0.00323504/step Wall: 640.287, 0.00323504/step, 4.31231 hours remaining, 229.824219 MB of memory in use. ENERGY: 201200 3976.3198 20477.0885 14491.9792 252.4314 -203183.1463 2574.6219 0.0000 0.0000 52289.5642 -109121.1412 300.5088 -161410.7054 -108756.7025 300.0414 184.4322 213.1625 760969.2868 8.8900 8.9746 PRESSURE: 201400 -4.14312 -205.953 29.4121 -205.953 -496.49 214.976 29.4124 214.976 -46.6591 GPRESSURE: 201400 22.4611 -96.2553 -27.1079 -130.314 -492.692 243.304 154.6 191.241 -9.0965 PRESSAVG: 201400 -0.852172 -113.735 70.9305 -113.735 18.7827 5.66671 70.9304 5.6667 -3.81671 GPRESSAVG: 201400 0.26716 -112.27 73.1669 -117.476 18.4845 5.19204 71.9942 6.95535 -4.32834 TIMING: 201400 CPU: 640.922, 0.00317558/step Wall: 640.922, 0.00317558/step, 4.23287 hours remaining, 229.824219 MB of memory in use. ENERGY: 201400 3983.1519 20585.5219 14403.4713 252.9355 -202652.1797 2114.6232 0.0000 0.0000 52254.2536 -109058.2222 300.3059 -161312.4758 -108679.7624 299.7682 -182.4307 -159.7758 763716.1367 4.7046 4.8078 PRESSURE: 201600 -84.2149 65.7732 76.8619 65.7732 -202.908 -266.03 76.8622 -266.03 147.478 GPRESSURE: 201600 -126.389 157.836 36.3534 -23.9889 -150.488 -199.268 76.5014 -150.024 231.868 PRESSAVG: 201600 -58.2891 -25.5819 38.4477 -25.5818 17.9541 -14.0246 38.4477 -14.0245 24.5499 GPRESSAVG: 201600 -58.8491 -27.2854 37.5815 -24.0306 18.1486 -14.4314 38.4105 -13.4123 25.118 TIMING: 201600 CPU: 641.561, 0.00319323/step Wall: 641.561, 0.00319323/step, 4.25622 hours remaining, 229.824219 MB of memory in use. ENERGY: 201600 3983.2326 20487.3390 14488.1162 240.0750 -202748.8382 2314.0771 0.0000 0.0000 52155.0681 -109080.9301 299.7359 -161235.9982 -108715.9343 300.2649 -46.5483 -15.0032 761866.2799 -5.2617 -5.1942 PRESSURE: 201800 93.6563 -266.209 -296.358 -266.209 48.1264 78.0935 -296.358 78.0931 109.08 GPRESSURE: 201800 61.7679 -236.827 -291.041 -267.667 103.414 65.8099 -190.09 150.216 169.69 PRESSAVG: 201800 -0.769193 -49.7303 10.7993 -49.7304 -16.9677 -45.7591 10.7993 -45.7592 -15.3992 GPRESSAVG: 201800 -0.316135 -49.3526 10.7656 -50.8391 -16.4648 -46.9512 9.53934 -46.7031 -15.875 TIMING: 201800 CPU: 642.195, 0.00317269/step Wall: 642.195, 0.00317269/step, 4.22866 hours remaining, 229.824219 MB of memory in use. ENERGY: 201800 4041.7088 20583.4193 14430.6387 244.2493 -203260.0106 2687.0454 0.0000 0.0000 52119.1931 -109153.7560 299.5297 -161272.9491 -108796.0022 300.5627 83.6209 111.6238 758511.2752 -11.0454 -10.8853 PRESSURE: 202000 -123.889 -173.11 -44.4506 -173.11 67.1807 -101.308 -44.4495 -101.307 -532.597 GPRESSURE: 202000 -64.2393 -138.015 -1.34537 -180.01 41.4421 -130.03 -77.785 -128.677 -471.474 PRESSAVG: 202000 3.11091 -80.8373 68.1337 -80.8373 38.1239 -36.1373 68.1337 -36.1373 -10.3076 GPRESSAVG: 202000 2.88217 -79.8389 67.8065 -80.61 38.8436 -34.7427 68.6554 -36.0654 -10.2138 TIMING: 202000 CPU: 642.831, 0.00317925/step Wall: 642.831, 0.00317925/step, 4.23724 hours remaining, 229.824219 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: 202000 4002.8662 20473.3837 14441.0576 236.4161 -203045.0284 2328.4909 0.0000 0.0000 52406.1293 -109156.6845 301.1787 -161562.8138 -108799.1771 300.5435 -196.4353 -164.7572 761489.3383 10.3091 10.5040 PRESSURE: 202200 -36.8201 153.726 -159.285 153.726 34.3789 -80.4685 -159.284 -80.4687 -41.3426 GPRESSURE: 202200 -32.3229 213.343 -75.5716 128.603 24.3791 50.7657 -291.246 -63.0904 59.8854 PRESSAVG: 202200 29.1084 -48.449 7.31094 -48.449 10.9668 19.0614 7.31098 19.0614 1.95558 GPRESSAVG: 202200 30.0526 -49.581 8.04643 -46.8786 10.4165 19.3042 6.26593 19.5463 1.82411 TIMING: 202200 CPU: 643.463, 0.00315753/step Wall: 643.463, 0.00315753/step, 4.20811 hours remaining, 229.824219 MB of memory in use. ENERGY: 202200 3955.4055 20544.9819 14470.3759 240.5848 -203237.5199 2336.8745 0.0000 0.0000 52364.4700 -109324.8272 300.9393 -161689.2972 -108962.4191 300.0733 -14.5946 17.3139 760031.5677 14.0103 14.0977 PRESSURE: 202400 10.1286 19.6308 214.936 19.6309 -192.599 -60.698 214.935 -60.6983 131.175 GPRESSURE: 202400 43.3321 34.6752 191.701 -134.675 -139.156 -79.0748 218.14 -128.888 127.651 PRESSAVG: 202400 -37.5818 -51.8985 -0.481671 -51.8986 5.32743 35.4312 -0.48168 35.4312 13.3446 GPRESSAVG: 202400 -36.8237 -51.8152 -3.09165 -52.9179 4.9368 35.6789 0.221117 36.5194 13.1165 TIMING: 202400 CPU: 644.093, 0.00315321/step Wall: 644.093, 0.00315321/step, 4.20218 hours remaining, 229.824219 MB of memory in use. ENERGY: 202400 3939.9094 20620.1607 14491.5694 231.4201 -203024.9693 2376.2805 0.0000 0.0000 52026.3455 -109339.2838 298.9961 -161365.6292 -108966.4401 299.7527 -17.0986 10.6092 760611.0090 -6.3032 -6.2568 PRESSURE: 202600 -277.433 -39.403 98.5525 -39.4039 -515.276 144.743 98.5523 144.742 88.3007 GPRESSURE: 202600 -206.633 -74.4909 106.297 44.3172 -450.265 187.139 -81.8904 94.5558 36.8929 PRESSAVG: 202600 -41.4239 -74.0868 73.7154 -74.0868 53.0868 -26.4357 73.7154 -26.4358 -43.9326 GPRESSAVG: 202600 -42.9186 -75.3127 75.5776 -73.5532 53.9877 -28.3317 73.3851 -25.7725 -43.6524 TIMING: 202600 CPU: 644.726, 0.00316355/step Wall: 644.726, 0.00316355/step, 4.21578 hours remaining, 229.824219 MB of memory in use. ENERGY: 202600 4012.1864 20574.1580 14506.2745 249.3683 -203384.3370 2286.8902 0.0000 0.0000 52160.0016 -109595.4580 299.7642 -161755.4596 -109234.1126 299.3797 -234.8027 -206.6685 760373.0914 -10.7566 -10.8611 PRESSURE: 202800 -150.628 -145.504 45.2869 -145.505 -188.766 32.5329 45.2877 32.5329 328.579 GPRESSURE: 202800 -44.9079 -135.057 33.3223 -118.3 -140.476 28.1244 88.9901 72.5479 270.197 PRESSAVG: 202800 -45.7874 -53.2407 83.7146 -53.2408 38.8504 12.459 83.7146 12.459 -8.18134 GPRESSAVG: 202800 -45.724 -50.6373 83.1398 -54.6342 38.1059 12.2054 81.6748 11.7373 -7.13944 TIMING: 202800 CPU: 645.366, 0.00320232/step Wall: 645.366, 0.00320232/step, 4.26727 hours remaining, 229.824219 MB of memory in use. ENERGY: 202800 3982.4062 20478.2683 14501.9872 243.3307 -203614.8218 2635.3191 0.0000 0.0000 52301.5166 -109471.9937 300.5775 -161773.5103 -109109.1478 298.8561 -3.6051 28.2710 760741.1009 -5.0395 -4.9192 PRESSURE: 203000 31.4079 -223.686 -248.797 -223.685 -249.198 28.2755 -248.796 28.2747 337.348 GPRESSURE: 203000 -3.28814 -104.106 -264.28 -314.658 -136.255 -7.25415 -164.008 -101.878 350.596 PRESSAVG: 203000 -36.5675 -16.7044 46.1404 -16.7043 33.0543 -9.9775 46.1403 -9.9775 13.7903 GPRESSAVG: 203000 -35.7775 -17.1789 45.5203 -16.3754 32.6154 -10.0568 48.704 -9.46965 13.1219 TIMING: 203000 CPU: 646.008, 0.00320693/step Wall: 646.008, 0.00320693/step, 4.27323 hours remaining, 229.824219 MB of memory in use. ENERGY: 203000 3923.5354 20584.9775 14474.0648 246.4874 -203110.2997 2322.5546 0.0000 0.0000 52218.1515 -109340.5285 300.0984 -161558.6800 -108973.5376 299.6932 39.8525 70.3510 759852.4366 3.4257 3.3200 PRESSURE: 203200 -418.708 -41.817 -45.5243 -41.8168 -56.959 225.944 -45.5246 225.944 327.298 GPRESSURE: 203200 -372.261 -82.549 -108.903 -78.4482 -3.37622 261.382 67.582 167.019 333.45 PRESSAVG: 203200 -10.4121 -15.2525 -5.89944 -15.2525 21.9378 -8.87389 -5.89955 -8.87391 -7.44705 GPRESSAVG: 203200 -11.7405 -15.6514 -6.12614 -15.1544 22.947 -7.47859 -4.43248 -10.2621 -7.20582 TIMING: 203200 CPU: 646.644, 0.00318007/step Wall: 646.644, 0.00318007/step, 4.23726 hours remaining, 229.824219 MB of memory in use. ENERGY: 203200 4023.2863 20567.7848 14558.8415 249.8569 -202939.5868 2416.2863 0.0000 0.0000 52011.2353 -109112.2956 298.9093 -161123.5309 -108744.4926 300.0458 -49.4562 -14.0624 760669.4581 1.3595 1.3336 PRESSURE: 203400 -231.181 -93.9941 -146.144 -93.9942 -352.292 -301.554 -146.144 -301.553 -102.645 GPRESSURE: 203400 -142.513 -157.054 -50.705 -67.8589 -396.428 -261.898 -157.041 -283.051 -46.771 PRESSAVG: 203400 -21.6024 -40.8965 26.3735 -40.8965 38.5689 23.7523 26.3735 23.7523 -6.69966 GPRESSAVG: 203400 -20.6056 -42.0477 28.0596 -40.5863 37.1343 25.4765 21.7072 25.3528 -6.10013 TIMING: 203400 CPU: 647.285, 0.0032053/step Wall: 647.285, 0.0032053/step, 4.27071 hours remaining, 229.824219 MB of memory in use. ENERGY: 203400 4039.5288 20585.9321 14553.3642 238.0877 -203002.8365 2210.1477 0.0000 0.0000 52216.9549 -109158.8211 300.0916 -161375.7761 -108802.0044 300.2743 -228.7059 -195.2375 761050.2555 3.4223 3.4762 PRESSURE: 203600 -108.813 -79.7624 -74.6825 -79.7608 -30.769 -230.642 -74.682 -230.642 300.238 GPRESSURE: 203600 -113.481 -135.235 -38.2242 -125.278 38.314 -125.385 -103.979 -350.545 324.165 PRESSAVG: 203600 -61.8564 -53.8951 -13.8135 -53.8951 27.0073 -9.04715 -13.8135 -9.04719 23.4275 GPRESSAVG: 203600 -62.9243 -52.5711 -15.8945 -52.6496 27.9204 -8.55562 -11.1573 -11.2254 23.4975 TIMING: 203600 CPU: 647.917, 0.00316079/step Wall: 647.917, 0.00316079/step, 4.21123 hours remaining, 229.824219 MB of memory in use. ENERGY: 203600 4034.8216 20572.2177 14525.1429 234.0797 -203304.5056 2606.2239 0.0000 0.0000 52011.8174 -109320.2024 298.9126 -161332.0198 -108959.6923 299.8205 53.5517 82.9993 760353.7361 -3.8072 -3.8355 PRESSURE: 203800 -286.216 -73.3391 -201.712 -73.3388 40.9047 -67.0911 -201.712 -67.092 169.401 GPRESSURE: 203800 -178.025 -159.42 -208.044 -97.379 117.626 -94.0477 -234.587 -62.4 80.643 PRESSAVG: 203800 -28.0742 -36.4903 1.64519 -36.4903 56.7258 -26.7811 1.6452 -26.7812 -3.36086 GPRESSAVG: 203800 -27.7347 -37.4602 3.07559 -39.0157 56.6312 -29.3354 0.763084 -25.443 -3.41433 TIMING: 203800 CPU: 648.552, 0.00317396/step Wall: 648.552, 0.00317396/step, 4.2286 hours remaining, 229.824219 MB of memory in use. ENERGY: 203800 4022.8430 20500.6105 14444.1203 237.1504 -203015.6145 2305.6228 0.0000 0.0000 52296.5623 -109208.7053 300.5491 -161505.2675 -108847.2903 299.8675 -25.3034 6.7480 761061.9411 8.4303 8.4940 PRESSURE: 204000 116.344 -58.3452 -51.9978 -58.3452 -38.6667 -7.39067 -51.9972 -7.39142 158.135 GPRESSURE: 204000 94.0478 7.67716 36.2734 -32.0919 23.8334 44.4969 27.9787 55.5655 200.914 PRESSAVG: 204000 -10.9057 -33.1425 80.4628 -33.1425 -36.951 -22.8324 80.4628 -22.8324 8.9661 GPRESSAVG: 204000 -11.4489 -34.4207 79.5735 -30.2915 -35.717 -21.7853 80.2582 -21.8331 8.20803 TIMING: 204000 CPU: 649.185, 0.00316626/step Wall: 649.185, 0.00316626/step, 4.21816 hours remaining, 229.824219 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: 204000 4010.2655 20414.0487 14531.5219 244.1111 -203476.6785 2765.2210 0.0000 0.0000 52386.7458 -109124.7646 301.0673 -161511.5104 -108762.6082 299.6540 78.6042 106.2649 760066.2607 -12.9635 -12.9860 PRESSURE: 204200 -259.217 115.322 -94.7342 115.322 107.387 39.3715 -94.733 39.3705 69.2943 GPRESSURE: 204200 -134.212 5.52655 -5.23319 61.2977 75.1829 27.8358 36.2662 193.203 62.8451 PRESSAVG: 204200 -14.2004 -19.3973 43.2103 -19.3973 -21.2444 -7.43453 43.2103 -7.43449 9.55246 GPRESSAVG: 204200 -11.8511 -18.3773 43.7058 -19.9 -22.7106 -6.87711 44.4168 -9.67437 8.73598 TIMING: 204200 CPU: 649.82, 0.0031723/step Wall: 649.82, 0.0031723/step, 4.22603 hours remaining, 229.824219 MB of memory in use. ENERGY: 204200 4034.2128 20469.7840 14509.8776 234.4867 -203111.0083 2507.7551 0.0000 0.0000 52163.3873 -109191.5048 299.7837 -161354.8921 -108834.4880 300.0852 -27.5118 1.2720 761761.5485 -8.6308 -8.6086 LDB: ============= START OF LOAD BALANCING ============== 662.241 LDB: ============== END OF LOAD BALANCING =============== 662.241 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 662.243 LDB: ============= START OF LOAD BALANCING ============== 662.56 LDB: Largest compute 7066 load 0.034217 is 17.6% of average load 0.194822 LDB: Average compute 0.004408 is 2.3% of average load 0.194822 LDB: TIME 662.564 LOAD: AVG 0.194822 MAX 0.210448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.652 MB LDB: TIME 662.564 LOAD: AVG 0.194822 MAX 0.210448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.652 MB LDB: TIME 662.564 LOAD: AVG 0.194822 MAX 0.210448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.652 MB LDB: ============== END OF LOAD BALANCING =============== 662.566 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 662.571 PRESSURE: 204400 175.686 -259.75 54.433 -259.75 358.858 -135.536 54.4328 -135.535 182.975 GPRESSURE: 204400 240.099 -287.072 19.1478 -235.097 349.135 -159.886 109.675 -167.678 233.847 PRESSAVG: 204400 4.4457 -23.0526 47.1288 -23.0525 -22.5047 -31.8145 47.1288 -31.8146 -20.9906 GPRESSAVG: 204400 4.43038 -22.2468 45.4228 -24.2227 -23.0237 -32.8609 46.2937 -30.5995 -20.3705 TIMING: 204400 CPU: 650.465, 0.00322709/step Wall: 650.465, 0.00322709/step, 4.29884 hours remaining, 230.136719 MB of memory in use. ENERGY: 204400 3999.8772 20390.8804 14493.0688 240.5231 -203019.1695 2457.1860 0.0000 0.0000 52297.6663 -109139.9676 300.5554 -161437.6339 -108759.3244 300.2919 239.1731 274.3608 760234.3796 -13.0165 -12.9879 PRESSURE: 204600 -254.662 -170.433 -26.6704 -170.434 311.088 68.1851 -26.6696 68.1854 270.155 GPRESSURE: 204600 -141.158 -191.068 -86.8659 -152.971 284.077 105.491 -108.13 62.5704 275.833 PRESSAVG: 204600 18.6179 -4.56588 41.0609 -4.56586 -38.3991 4.76428 41.0609 4.76423 14.8149 GPRESSAVG: 204600 18.2996 -4.16922 43.0109 -5.01657 -37.0901 5.33885 40.4476 3.41755 13.9696 TIMING: 204600 CPU: 651.098, 0.00316393/step Wall: 651.098, 0.00316393/step, 4.21453 hours remaining, 230.535156 MB of memory in use. ENERGY: 204600 4028.0118 20521.3406 14454.8017 231.9756 -203713.9113 2786.0031 0.0000 0.0000 52251.4965 -109440.2819 300.2901 -161691.7784 -109081.4473 299.8962 108.8603 139.5840 760884.0992 -1.6554 -1.6070 PRESSURE: 204800 -57.2069 -250.678 55.7127 -250.678 -162.695 -33.2769 55.7132 -33.2761 -544.988 GPRESSURE: 204800 -37.1676 -187.657 60.9187 -236.283 -101.558 6.60204 62.7314 -93.0206 -542.659 PRESSAVG: 204800 11.3058 -66.421 18.3791 -66.421 -25.8071 29.98 18.3792 29.9799 -15.9851 GPRESSAVG: 204800 11.6483 -67.1568 18.2551 -66.3788 -26.626 30.0406 19.9941 29.833 -15.7946 TIMING: 204800 CPU: 651.731, 0.00316671/step Wall: 651.731, 0.00316671/step, 4.21806 hours remaining, 230.535156 MB of memory in use. ENERGY: 204800 3964.8181 20303.2578 14526.9707 234.7207 -203056.3251 2390.5810 0.0000 0.0000 52236.5473 -109399.4295 300.2042 -161635.9769 -109035.0013 299.1418 -254.9632 -227.1281 760403.2906 -10.1621 -10.2574 PRESSURE: 205000 -212.795 -134.815 109.788 -134.815 131.914 -16.483 109.787 -16.4835 -123.055 GPRESSURE: 205000 -91.7205 -55.1612 100.98 -51.315 125.092 -71.2841 164.713 28.8956 -158.595 PRESSAVG: 205000 34.5774 -53.5528 2.65134 -53.5528 -13.0131 40.6685 2.65138 40.6686 6.11043 GPRESSAVG: 205000 34.0859 -53.2286 2.05153 -52.1868 -12.5254 39.1204 2.67092 41.9767 6.37514 TIMING: 205000 CPU: 652.368, 0.00318608/step Wall: 652.368, 0.00318608/step, 4.24368 hours remaining, 230.535156 MB of memory in use. ENERGY: 205000 3971.0758 20466.8345 14429.5838 264.7384 -202953.1594 2459.2567 0.0000 0.0000 52162.9351 -109198.7352 299.7811 -161361.6703 -108832.5853 299.7269 -67.9789 -41.7410 760781.2402 9.2249 9.3119 PRESSURE: 205200 15.9344 118.053 214.47 118.053 49.1706 68.0903 214.47 68.0897 -70.2443 GPRESSURE: 205200 131.291 -43.4214 116.215 150.822 9.04906 35.3653 88.2834 32.5209 -57.9045 PRESSAVG: 205200 13.382 -54.3956 -43.7205 -54.3956 -23.1074 27.4279 -43.7205 27.4279 1.71756 GPRESSAVG: 205200 14.9615 -54.9869 -45.0171 -55.4122 -23.7127 29.8066 -44.2382 26.2101 0.854201 TIMING: 205200 CPU: 653.009, 0.00320542/step Wall: 653.009, 0.00320542/step, 4.26927 hours remaining, 230.535156 MB of memory in use. ENERGY: 205200 4003.3998 20367.9029 14477.3598 234.8780 -203050.8322 2479.5893 0.0000 0.0000 52112.0282 -109375.6743 299.4885 -161487.7024 -109003.4581 299.7392 -1.7131 27.4785 762246.8011 -2.6693 -2.6323 PRESSURE: 205400 -20.9784 -338.282 -178.219 -338.281 -264.01 226.621 -178.219 226.62 -21.2699 GPRESSURE: 205400 -47.9056 -329.965 -261.125 -304.657 -193.47 196.619 -55.3853 125.348 14.113 PRESSAVG: 205400 53.1915 -37.6175 71.1633 -37.6175 -34.5528 -25.1979 71.1633 -25.1978 -15.5275 GPRESSAVG: 205400 51.9314 -36.169 71.3701 -37.4416 -34.0801 -27.7636 71.9977 -25.8784 -14.5575 TIMING: 205400 CPU: 653.647, 0.00318633/step Wall: 653.647, 0.00318633/step, 4.24366 hours remaining, 230.535156 MB of memory in use. ENERGY: 205400 3992.1970 20527.5884 14442.4505 244.9299 -202886.4403 2169.2228 0.0000 0.0000 51823.6408 -109686.4109 297.8312 -161510.0517 -109329.5641 299.3598 -102.0861 -75.7542 760945.0373 1.0371 1.0979 PRESSURE: 205600 -26.2828 92.1829 101.182 92.1825 -201.433 -102.899 101.182 -102.899 -283.099 GPRESSURE: 205600 -52.5785 201.147 76.6173 155.925 -107.688 -63.6767 -5.9452 16.4862 -251.47 PRESSAVG: 205600 39.2296 -39.3066 15.599 -39.3067 -54.5482 21.8216 15.599 21.8217 -11.0397 GPRESSAVG: 205600 38.5941 -39.9538 18.3115 -38.2412 -53.8255 24.0821 13.652 22.1471 -11.3943 TIMING: 205600 CPU: 654.282, 0.0031762/step Wall: 654.282, 0.0031762/step, 4.23 hours remaining, 230.535156 MB of memory in use. ENERGY: 205600 3990.1465 20643.2862 14381.4543 264.7423 -203283.6981 2581.6450 0.0000 0.0000 51901.9807 -109520.4431 298.2814 -161422.4238 -109165.7355 298.8596 -170.2714 -137.2457 762578.8626 -8.7861 -8.8752 PRESSURE: 205800 222.418 66.6345 -152.106 66.635 -198.646 -197.791 -152.107 -197.792 319.983 GPRESSURE: 205800 293.246 182.646 -206.417 71.1278 -189.547 -228.417 -172.115 -21.5916 322.803 PRESSAVG: 205800 38.2218 6.79099 13.3947 6.79104 -18.0601 21.5085 13.3947 21.5085 22.97 GPRESSAVG: 205800 39.0108 6.85317 11.8872 6.89541 -19.4766 20.1487 16.3163 21.5624 23.8162 TIMING: 205800 CPU: 654.916, 0.00316821/step Wall: 654.916, 0.00316821/step, 4.21917 hours remaining, 230.535156 MB of memory in use. ENERGY: 205800 3965.4528 20563.3757 14416.6065 238.8233 -203457.8408 2520.7277 0.0000 0.0000 52165.9811 -109586.8737 299.7986 -161752.8547 -109228.2997 299.6295 114.5849 142.1674 761882.7735 14.3772 14.4502 PRESSURE: 206000 -280.879 67.1201 161.17 67.1205 -174.431 26.6292 161.17 26.6299 -301.657 GPRESSURE: 206000 -236.102 77.989 177.596 -39.1497 -126.474 6.89933 177.914 -115.514 -321.183 PRESSAVG: 206000 -0.74387 8.39792 13.0041 8.39797 30.4999 -25.8326 13.0041 -25.8326 -1.0258 GPRESSAVG: 206000 -1.91216 7.22992 14.7162 7.37777 31.3194 -26.4502 10.0528 -24.9299 -1.35718 TIMING: 206000 CPU: 655.547, 0.00315505/step Wall: 655.547, 0.00315505/step, 4.20148 hours remaining, 230.535156 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: 206000 3995.3052 20333.7907 14510.3248 242.7006 -203230.4437 2459.0912 0.0000 0.0000 52075.5761 -109613.6550 299.2791 -161689.2311 -109255.7921 299.1386 -252.3227 -227.9197 761381.5527 9.5767 9.3500 PRESSURE: 206200 -49.2247 -21.59 -50.3286 -21.5892 100.097 -11.3856 -50.3282 -11.3858 16.4938 GPRESSURE: 206200 -57.4695 -37.7505 -46.9092 -65.8706 169.043 53.1876 54.3153 -61.4928 42.1716 PRESSAVG: 206200 -24.8056 -37.5326 45.3762 -37.5326 28.2243 -22.4916 45.3762 -22.4917 -8.92228 GPRESSAVG: 206200 -24.601 -38.603 43.2662 -38.3062 28.7783 -22.2107 47.5077 -23.0912 -9.31758 TIMING: 206200 CPU: 656.188, 0.00320557/step Wall: 656.188, 0.00320557/step, 4.26858 hours remaining, 230.535156 MB of memory in use. ENERGY: 206200 4095.7503 20474.9190 14396.4467 249.1584 -203316.0208 2623.0791 0.0000 0.0000 52028.0665 -109448.6009 299.0060 -161476.6674 -109086.4612 299.4491 22.4555 51.2483 761701.6745 -1.8345 -1.7134 PRESSURE: 206400 61.6457 38.2425 1.30247 38.2418 174.963 -242.772 1.30207 -242.772 -237.904 GPRESSURE: 206400 59.5764 33.3383 61.5373 135.82 197.823 -262.627 57.8536 -177.89 -182.825 PRESSAVG: 206400 -25.159 -24.7067 -29.1143 -24.7067 6.36766 -52.74 -29.1143 -52.74 8.2627 GPRESSAVG: 206400 -24.3113 -23.281 -27.7414 -23.6774 4.3856 -52.2794 -28.3245 -52.7531 9.46745 TIMING: 206400 CPU: 656.821, 0.0031667/step Wall: 656.821, 0.0031667/step, 4.21664 hours remaining, 230.535156 MB of memory in use. ENERGY: 206400 4058.3820 20392.4231 14541.2195 263.2636 -203592.9132 2645.1791 0.0000 0.0000 52338.4573 -109353.9887 300.7898 -161692.4459 -109003.1740 299.3913 -0.4316 24.8582 759294.6122 -3.5095 -3.4861 PRESSURE: 206600 380.004 -80.3449 118.849 -80.3443 95.1724 41.8207 118.849 41.8205 725.891 GPRESSURE: 206600 360.834 -91.2143 50.4523 -48.1779 156.87 60.3401 20.559 93.6287 806.331 PRESSAVG: 206600 -35.4425 4.212 -23.5758 4.21199 40.4616 -27.4533 -23.5758 -27.4533 41.8324 GPRESSAVG: 206600 -35.7716 4.50445 -26.1646 3.93986 42.5931 -28.8413 -26.1311 -26.0085 40.6794 TIMING: 206600 CPU: 657.458, 0.00318262/step Wall: 657.458, 0.00318262/step, 4.23766 hours remaining, 230.535156 MB of memory in use. ENERGY: 206600 3871.7450 20455.0055 14414.9054 253.7442 -203666.9624 2911.5756 0.0000 0.0000 52339.2128 -109420.7738 300.7942 -161759.9867 -109050.5524 300.0626 400.3557 441.3451 759477.2098 15.6172 15.8336 PRESSURE: 206800 -306.808 12.798 -115.02 12.7986 186.095 150.235 -115.021 150.235 -134.169 GPRESSURE: 206800 -234.541 7.92255 -47.3826 8.86145 114.742 144.086 -173.108 -6.52366 -66.4287 PRESSAVG: 206800 -13.0927 52.1019 13.2422 52.1019 17.5887 -43.8275 13.2421 -43.8274 36.5783 GPRESSAVG: 206800 -13.2844 52.3281 14.1766 51.6321 17.75 -42.7046 15.7613 -43.009 36.0274 TIMING: 206800 CPU: 658.09, 0.00316212/step Wall: 658.09, 0.00316212/step, 4.21018 hours remaining, 230.535156 MB of memory in use. ENERGY: 206800 4062.5059 20494.2863 14426.3839 239.2761 -203246.2478 2484.5810 0.0000 0.0000 52013.7474 -109525.4672 298.9237 -161539.2146 -109166.4309 299.7706 -84.9605 -62.0759 760990.2806 13.6914 13.4977 PRESSURE: 207000 -55.9439 153.356 -82.635 153.356 -89.7905 158.109 -82.6348 158.11 69.469 GPRESSURE: 207000 -147.431 93.7759 -121.54 79.6471 -22.2355 74.0021 -145.753 6.80807 177.048 PRESSAVG: 207000 18.9563 58.0849 -39.7567 58.0849 1.03454 23.8992 -39.7567 23.8991 19.4847 GPRESSAVG: 207000 19.9215 58.1225 -39.0257 58.685 -0.895306 23.3005 -41.3486 21.5456 20.0806 TIMING: 207000 CPU: 658.727, 0.00318466/step Wall: 658.727, 0.00318466/step, 4.24002 hours remaining, 230.535156 MB of memory in use. ENERGY: 207000 4056.9426 20646.4288 14494.6046 235.5942 -203250.5391 2534.3048 0.0000 0.0000 51793.9947 -109488.6693 297.6608 -161282.6640 -109132.6705 299.6113 -25.4218 2.4603 758799.3978 13.1585 13.0356 PRESSURE: 207200 -254.48 60.7336 87.5449 60.7339 -90.129 -208.221 87.5438 -208.219 -549.273 GPRESSURE: 207200 -207.12 -109.251 146.237 54.861 -27.588 -72.6972 -50.1402 -126.626 -576.171 PRESSAVG: 207200 -24.3441 -38.1877 -24.8259 -38.1877 17.9865 -40.9427 -24.8259 -40.9427 5.79436 GPRESSAVG: 207200 -26.9716 -38.6657 -25.0119 -36.9451 21.6355 -41.1161 -23.8316 -39.6476 5.36912 TIMING: 207200 CPU: 659.37, 0.00321789/step Wall: 659.37, 0.00321789/step, 4.28408 hours remaining, 230.535156 MB of memory in use. ENERGY: 207200 4038.4424 20464.9997 14597.6057 234.2276 -202887.9669 2247.1677 0.0000 0.0000 52051.8252 -109253.6985 299.1426 -161305.5238 -108888.0513 300.2983 -297.9607 -270.2933 761725.5821 -0.1878 0.0110 PRESSURE: 207400 -0.036302 57.6597 -285.623 57.6594 14.2095 41.7994 -285.621 41.7991 -63.4801 GPRESSURE: 207400 -21.3676 87.5271 -194.309 99.318 142.278 -24.8603 -303.75 52.0621 -102.893 PRESSAVG: 207400 -6.78198 5.74119 10.7655 5.74122 50.6892 -4.13395 10.7656 -4.13403 8.3165 GPRESSAVG: 207400 -6.23244 4.51443 10.8182 5.98819 48.7551 -4.44267 11.0178 -4.77138 9.42368 TIMING: 207400 CPU: 660.009, 0.00319263/step Wall: 660.009, 0.00319263/step, 4.25028 hours remaining, 230.535156 MB of memory in use. ENERGY: 207400 4010.1520 20583.1707 14469.1786 248.9836 -203134.3047 2233.7812 0.0000 0.0000 52226.5252 -109362.5135 300.1466 -161589.0386 -108999.4790 300.2595 -16.4356 6.0056 759243.2290 17.4079 17.3154 PRESSURE: 207600 184.672 -257.052 345.492 -257.052 122.064 109.777 345.492 109.776 -102.915 GPRESSURE: 207600 176.353 -214.054 237.031 -162.839 192.052 17.5318 206.964 94.9732 -89.4455 PRESSAVG: 207600 -50.7424 17.6399 39.4187 17.64 45.0638 39.1175 39.4187 39.1175 21.1131 GPRESSAVG: 207600 -49.9642 20.0689 38.3305 15.6364 45.0681 40.8207 38.3288 38.4445 19.7773 TIMING: 207600 CPU: 660.645, 0.00317948/step Wall: 660.645, 0.00317948/step, 4.2326 hours remaining, 230.535156 MB of memory in use. ENERGY: 207600 3950.8153 20559.8503 14395.1960 231.3250 -203289.6243 2582.8479 0.0000 0.0000 52049.4909 -109520.0990 299.1291 -161569.5899 -109162.1335 300.1379 67.9400 92.9865 760303.2963 5.1448 4.9604 PRESSURE: 207800 -56.4155 1.24003 -277.745 1.23984 33.3817 -16.5831 -277.743 -16.5835 199.188 GPRESSURE: 207800 -55.6781 13.7111 -240.966 5.28992 118.864 23.0864 -202.768 53.0003 199.779 PRESSAVG: 207800 -40.6811 -20.3781 -15.5917 -20.3781 70.2096 43.9133 -15.5917 43.9133 2.41656 GPRESSAVG: 207800 -40.7069 -21.8761 -16.6047 -19.3313 68.3957 43.5658 -13.9035 46.667 3.75073 TIMING: 207800 CPU: 661.276, 0.00315754/step Wall: 661.276, 0.00315754/step, 4.20321 hours remaining, 230.535156 MB of memory in use. ENERGY: 207800 3956.5449 20418.5679 14426.6791 252.0564 -203578.1466 2731.6288 0.0000 0.0000 52449.6202 -109343.0493 301.4287 -161792.6695 -108987.6190 299.7346 58.7181 87.6551 760162.6945 10.6484 10.4799 PRESSURE: 208000 -513.645 137.677 36.9461 137.677 -8.35625 55.6228 36.9455 55.6242 201.403 GPRESSURE: 208000 -486.233 149.082 132.346 173.61 58.3033 -40.1649 -8.4806 83.7662 210.258 PRESSAVG: 208000 -37.7671 -50.9289 -36.1958 -50.9289 30.9651 11.2826 -36.1958 11.2825 10.5957 GPRESSAVG: 208000 -38.1656 -49.8262 -33.2199 -50.54 30.2729 11.0814 -39.3042 8.61838 11.8251 TIMING: 208000 CPU: 661.91, 0.00316735/step Wall: 661.91, 0.00316735/step, 4.21609 hours remaining, 230.535156 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: 208000 3986.0180 20522.5451 14381.3463 239.7287 -203103.9276 2340.5098 0.0000 0.0000 52228.3168 -109405.4629 300.1569 -161633.7797 -109046.4837 299.9750 -106.8661 -72.5573 761505.7966 1.2646 1.3108 PRESSURE: 208200 -168.052 -328.173 -114.921 -328.173 71.0605 -106.276 -114.921 -106.278 245.714 GPRESSURE: 208200 -126.052 -239.545 -91.4688 -309.925 85.7236 -24.9649 -117.855 -125.083 271.458 PRESSAVG: 208200 -21.5958 -6.44778 -13.8207 -6.44776 23.9714 -19.3932 -13.8207 -19.3933 -34.8985 GPRESSAVG: 208200 -21.5804 -6.75377 -13.8394 -6.02974 26.0027 -18.8311 -12.7094 -18.9427 -36.7034 TIMING: 208200 CPU: 662.542, 0.00316/step Wall: 662.542, 0.00316/step, 4.20614 hours remaining, 230.535156 MB of memory in use. ENERGY: 208200 3945.0795 20453.1263 14437.3645 269.4200 -202860.3286 2091.6417 0.0000 0.0000 52088.6124 -109575.0840 299.3540 -161663.6965 -109211.6027 299.6530 49.5741 77.0431 759077.2858 -10.8410 -10.7604 LDB: ============= START OF LOAD BALANCING ============== 674.964 LDB: ============== END OF LOAD BALANCING =============== 674.964 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 674.966 LDB: ============= START OF LOAD BALANCING ============== 675.282 LDB: Largest compute 7046 load 0.033993 is 17.4% of average load 0.194862 LDB: Average compute 0.004411 is 2.3% of average load 0.194862 LDB: TIME 675.286 LOAD: AVG 0.194862 MAX 0.209861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.648 MB LDB: TIME 675.286 LOAD: AVG 0.194862 MAX 0.209861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.805 MB LDB: TIME 675.286 LOAD: AVG 0.194862 MAX 0.209861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.805 MB LDB: ============== END OF LOAD BALANCING =============== 675.288 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 675.293 PRESSURE: 208400 289.693 11.3206 -174.24 11.3196 200.534 81.9321 -174.241 81.9326 266.837 GPRESSURE: 208400 258.085 17.3 -117.504 10.4465 247.709 103.591 -201.744 112.733 336.622 PRESSAVG: 208400 44.5547 -41.9342 43.8452 -41.9342 14.0762 -17.9213 43.8452 -17.9212 1.80811 GPRESSAVG: 208400 45.1683 -42.051 43.7743 -41.2111 11.5242 -17.646 42.4238 -16.077 3.63319 TIMING: 208400 CPU: 663.187, 0.00322741/step Wall: 663.187, 0.00322741/step, 4.29568 hours remaining, 229.625000 MB of memory in use. ENERGY: 208400 3980.8948 20395.6528 14438.8798 229.3800 -203322.9038 2559.0765 0.0000 0.0000 52040.4338 -109678.5860 299.0771 -161719.0198 -109313.1337 299.0780 252.3547 280.8050 759725.4517 20.1463 20.1086 PRESSURE: 208600 16.7069 89.2181 91.2898 89.2175 -354.612 11.1072 91.2894 11.1073 -402.327 GPRESSURE: 208600 -59.8289 92.8672 99.7752 -96.5997 -235.583 -60.4215 69.3289 -60.8224 -353.15 PRESSAVG: 208600 -26.453 -48.3454 36.9777 -48.3453 -16.8697 12.7815 36.9777 12.7815 3.91271 GPRESSAVG: 208600 -27.5838 -47.8786 36.9972 -50.7662 -14.9968 11.6658 38.8903 12.2317 3.4431 TIMING: 208600 CPU: 663.821, 0.00316946/step Wall: 663.821, 0.00316946/step, 4.21837 hours remaining, 229.882812 MB of memory in use. ENERGY: 208600 3991.7178 20491.2855 14361.8210 240.5916 -202705.1430 2317.3499 0.0000 0.0000 51846.6209 -109455.7563 297.9632 -161302.3772 -109099.2296 298.8786 -246.7440 -216.1871 762414.6035 -13.1366 -13.0458 PRESSURE: 208800 153.156 7.66926 -153.23 7.66858 261.365 26.6354 -153.23 26.6354 174.333 GPRESSURE: 208800 179.868 -1.89494 -207.203 74.4804 272.296 24.1413 65.3659 -78.067 231.323 PRESSAVG: 208800 -64.2643 -30.8176 -30.3348 -30.8175 -1.09619 -0.847917 -30.3348 -0.847926 3.33711 GPRESSAVG: 208800 -63.5983 -31.3798 -30.6024 -27.9052 -0.859106 -1.34229 -29.5627 -1.98977 2.49192 TIMING: 208800 CPU: 664.455, 0.00316973/step Wall: 664.455, 0.00316973/step, 4.21856 hours remaining, 229.882812 MB of memory in use. ENERGY: 208800 3944.8575 20380.8956 14382.1729 228.4590 -203214.1104 2774.0294 0.0000 0.0000 51912.1916 -109591.5046 298.3401 -161503.6962 -109235.1816 298.3562 196.2844 227.8287 760968.5621 -20.6745 -20.6551 PRESSURE: 209000 287.853 227.438 -67.4264 227.437 22.0351 211.249 -67.4261 211.249 -207.679 GPRESSURE: 209000 170.252 207.623 -7.81721 215.256 164.645 215.37 -46.8126 193.158 -132.745 PRESSAVG: 209000 25.4238 38.6848 -7.20854 38.6848 -46.112 -53.1131 -7.20853 -53.1131 6.47809 GPRESSAVG: 209000 25.3902 38.8252 -7.98174 36.14 -46.0261 -52.0707 -7.92148 -51.5952 6.22092 TIMING: 209000 CPU: 665.091, 0.00317749/step Wall: 665.091, 0.00317749/step, 4.22871 hours remaining, 229.882812 MB of memory in use. ENERGY: 209000 4010.2829 20385.5835 14417.6422 249.1586 -202895.9523 2432.6749 0.0000 0.0000 52161.1110 -109239.4991 299.7706 -161400.6101 -108881.6483 299.3552 34.0698 67.3839 761651.2464 -4.7367 -4.8050 PRESSURE: 209200 -105.29 -207.102 -8.31959 -207.101 -183.931 151.296 -8.31983 151.295 -206.629 GPRESSURE: 209200 -136.581 -234.968 42.282 -173.623 -66.2086 217.024 -85.8044 218.141 -207.123 PRESSAVG: 209200 -33.4503 41.4024 -0.733342 41.4024 -8.52595 9.22524 -0.733414 9.2253 -23.1737 GPRESSAVG: 209200 -33.7805 41.3495 -0.976335 42.8359 -8.85942 8.60688 -0.178695 8.3169 -22.8891 TIMING: 209200 CPU: 665.732, 0.00320518/step Wall: 665.732, 0.00320518/step, 4.26538 hours remaining, 229.882812 MB of memory in use. ENERGY: 209200 4035.5247 20269.0941 14430.7767 242.4528 -202731.8968 2173.9918 0.0000 0.0000 52126.4411 -109453.6157 299.5714 -161580.0568 -109086.2523 298.8903 -165.2836 -136.6375 759980.9967 -21.7167 -21.8430 PRESSURE: 209400 -426.886 -87.8604 -107.068 -87.8603 -223.112 123.023 -107.067 123.023 73.6027 GPRESSURE: 209400 -497.075 -94.183 -86.9941 -103.174 -181.238 103.703 -237.123 159.674 175.786 PRESSAVG: 209400 -5.15846 -6.36821 -14.4068 -6.36821 25.977 45.2631 -14.4068 45.2631 6.15873 GPRESSAVG: 209400 -4.29863 -5.8587 -15.295 -7.99331 26.4357 45.5479 -15.2341 43.9765 5.64032 TIMING: 209400 CPU: 666.361, 0.00314851/step Wall: 666.361, 0.00314851/step, 4.18979 hours remaining, 229.882812 MB of memory in use. ENERGY: 209400 4001.7185 20356.3154 14461.2954 245.2936 -202920.9884 2274.5532 0.0000 0.0000 52007.8204 -109573.9917 298.8897 -161581.8121 -109214.5383 299.0686 -192.1320 -167.5092 762211.2652 8.9924 9.2591 PRESSURE: 209600 155.992 -30.8282 -11.1088 -30.828 95.3836 -47.1529 -11.1092 -47.1536 351.139 GPRESSURE: 209600 246.225 1.8275 -102.933 -17.2754 85.0938 -116.191 -169.077 137.736 384.745 PRESSAVG: 209600 -18.7866 1.97319 -32.9108 1.97316 -1.63603 1.80908 -32.9108 1.80905 5.63522 GPRESSAVG: 209600 -18.6308 2.84263 -30.2112 2.61779 -1.21246 0.98009 -33.6836 2.58586 5.1743 TIMING: 209600 CPU: 666.993, 0.00315858/step Wall: 666.993, 0.00315858/step, 4.20302 hours remaining, 229.882812 MB of memory in use. ENERGY: 209600 3922.1228 20429.3185 14377.5599 253.1028 -202807.8923 2530.1947 0.0000 0.0000 52076.4638 -109219.1299 299.2842 -161295.5936 -108869.1241 299.2463 200.8382 238.6879 760167.3250 -4.9292 -4.8896 PRESSURE: 209800 -332.658 55.682 122.395 55.6817 172.28 42.7202 122.394 42.7186 366.632 GPRESSURE: 209800 -280.745 36.5304 78.8105 97.9659 256.378 92.7517 145.836 28.9844 328.352 PRESSAVG: 209800 14.887 -25.2489 -12.3067 -25.2489 -3.57505 10.722 -12.3067 10.722 -0.1144 GPRESSAVG: 209800 14.5523 -27.0099 -15.0883 -25.0761 -3.70822 11.0865 -9.53532 12.5112 0.635269 TIMING: 209800 CPU: 667.625, 0.00315887/step Wall: 667.625, 0.00315887/step, 4.20322 hours remaining, 229.882812 MB of memory in use. ENERGY: 209800 4044.5805 20376.8165 14445.7410 240.8476 -202793.6217 2506.9856 0.0000 0.0000 52050.5773 -109128.0733 299.1354 -161178.6506 -108771.5863 299.3730 68.7515 101.3285 760006.4161 3.7325 3.8264 PRESSURE: 210000 -43.0651 71.9812 -204.336 71.982 -106.567 -87.5706 -204.336 -87.5713 -417.633 GPRESSURE: 210000 -26.3296 -50.1108 -160.96 11.6153 -136.987 -48.5412 -176.778 -67.535 -341.775 PRESSAVG: 210000 -18.7455 -38.3487 -8.89046 -38.3486 34.1133 -0.614593 -8.89045 -0.614666 -13.3673 GPRESSAVG: 210000 -19.4235 -37.8118 -7.07278 -38.5766 34.0417 0.202518 -9.48928 -0.896901 -12.8343 TIMING: 210000 CPU: 668.258, 0.003163/step Wall: 668.258, 0.003163/step, 4.20854 hours remaining, 229.882812 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: 210000 3917.2764 20494.5390 14494.5981 251.0207 -202582.8960 2270.3555 0.0000 0.0000 52327.7045 -108827.4018 300.7280 -161155.1063 -108456.1708 300.0220 -189.0885 -168.3641 761727.9343 0.6668 0.5946 PRESSURE: 210200 38.5292 -61.8973 141.175 -61.8965 -230.969 80.3944 141.175 80.3948 -120.863 GPRESSURE: 210200 111.097 23.6352 70.6693 -55.7654 -220.972 109.6 226.114 125.686 -117.763 PRESSAVG: 210200 -16.0942 -1.40997 53.6928 -1.40999 7.71596 1.15104 53.6927 1.15118 3.27616 GPRESSAVG: 210200 -15.2828 -0.154497 52.6691 0.208449 8.73509 -0.285103 52.4757 1.82566 1.61847 TIMING: 210200 CPU: 668.889, 0.00315899/step Wall: 668.889, 0.00315899/step, 4.20303 hours remaining, 229.882812 MB of memory in use. ENERGY: 210200 3950.7049 20583.8750 14453.7790 246.5174 -202764.2229 2332.7717 0.0000 0.0000 52325.9391 -108870.6359 300.7179 -161196.5749 -108509.7973 300.3353 -104.4343 -75.8795 760890.4613 -1.7007 -1.6431 PRESSURE: 210400 225.932 -66.4842 -52.1917 -66.4839 109.578 142.278 -52.1912 142.279 424.691 GPRESSURE: 210400 178.489 -129.714 -88.6293 -56.2808 225.307 79.132 -67.5626 30.6943 449.645 PRESSAVG: 210400 38.6987 -52.0962 13.8789 -52.0962 19.1982 6.78291 13.879 6.78287 -14.1047 GPRESSAVG: 210400 37.757 -53.5064 14.0651 -52.9489 18.5056 7.74777 13.5832 4.79619 -12.5741 TIMING: 210400 CPU: 669.523, 0.00316638/step Wall: 669.523, 0.00316638/step, 4.2127 hours remaining, 229.882812 MB of memory in use. ENERGY: 210400 4005.6623 20639.6930 14456.2203 260.6257 -203008.8507 2613.6393 0.0000 0.0000 52020.6344 -109012.3756 298.9633 -161033.0100 -108643.2776 300.7808 253.4003 284.4800 760263.5359 14.5974 14.5628 PRESSURE: 210600 -370.707 -46.321 -68.1906 -46.3201 -392.048 244.775 -68.1907 244.776 -207.871 GPRESSURE: 210600 -337.915 -103.194 -62.9904 -64.7848 -330.791 296.904 -50.4679 57.8293 -203.279 PRESSAVG: 210600 -50.9937 -6.64257 55.5174 -6.64263 61.2327 -39.5063 55.5174 -39.5063 0.765155 GPRESSAVG: 210600 -50.573 -5.02363 56.1967 -6.8589 61.1623 -39.2389 56.8622 -40.1758 0.686342 TIMING: 210600 CPU: 670.154, 0.0031593/step Wall: 670.154, 0.0031593/step, 4.2031 hours remaining, 229.882812 MB of memory in use. ENERGY: 210600 3965.8427 20479.7941 14395.4109 247.1437 -202619.7609 2137.8252 0.0000 0.0000 52200.3551 -109193.3892 299.9962 -161393.7442 -108818.6960 299.8716 -323.5420 -290.6614 762483.5972 3.6681 3.7585 PRESSURE: 210800 114.476 -242.019 -24.4835 -242.019 82.971 -31.264 -24.4832 -31.2646 -98.9497 GPRESSURE: 210800 101.579 -277.883 -29.3561 -320.678 112.036 -4.95863 81.3105 59.8449 -44.3567 PRESSAVG: 210800 31.9613 -63.0419 98.2627 -63.0419 19.3903 26.0439 98.2626 26.0439 -20.1035 GPRESSAVG: 210800 32.493 -62.7148 96.8131 -63.6922 18.7373 26.583 97.0806 27.4732 -19.8563 TIMING: 210800 CPU: 670.786, 0.00315866/step Wall: 670.786, 0.00315866/step, 4.20208 hours remaining, 229.882812 MB of memory in use. ENERGY: 210800 4032.2156 20432.9457 14450.3117 248.2630 -203206.8203 2541.0422 0.0000 0.0000 52093.0076 -109409.0344 299.3792 -161502.0420 -109045.5623 299.5448 32.8326 56.4197 761216.8813 10.4160 10.4580 PRESSURE: 211000 124.913 -170.447 -36.5707 -170.447 45.4831 -152.787 -36.5702 -152.787 -265.634 GPRESSURE: 211000 117.93 -85.8551 19.2012 -110.465 197.747 -149.791 -57.461 -4.89339 -330.19 PRESSAVG: 211000 6.57675 -37.2319 31.5563 -37.2319 -30.1484 -11.4165 31.5563 -11.4165 25.5531 GPRESSAVG: 211000 5.75272 -37.604 33.7065 -37.2364 -28.7306 -11.6724 31.1982 -11.3366 25.3782 TIMING: 211000 CPU: 671.422, 0.00317724/step Wall: 671.422, 0.00317724/step, 4.22662 hours remaining, 229.882812 MB of memory in use. ENERGY: 211000 4025.1048 20525.8053 14456.5643 264.5056 -202903.7731 2283.8577 0.0000 0.0000 51919.7933 -109428.1421 298.3838 -161347.9354 -109064.4045 298.8174 -31.7457 -4.8378 760186.3817 0.6605 0.8001 PRESSURE: 211200 -189.03 -66.5374 114.5 -66.5368 179.385 100.54 114.501 100.54 231.003 GPRESSURE: 211200 -60.8078 22.9944 82.7967 -70.8054 216.225 61.2601 151.443 2.94573 145.583 PRESSAVG: 211200 43.7861 3.88915 24.2017 3.88919 -46.6823 -12.919 24.2018 -12.919 -4.5371 GPRESSAVG: 211200 44.7445 4.17993 24.21 4.81327 -48.0299 -14.6892 26.9759 -14.2228 -4.29999 TIMING: 211200 CPU: 672.054, 0.00316395/step Wall: 672.054, 0.00316395/step, 4.20876 hours remaining, 229.882812 MB of memory in use. ENERGY: 211200 3997.6602 20437.2825 14436.5098 245.7557 -202707.2103 2267.2995 0.0000 0.0000 51835.5049 -109487.1977 297.8994 -161322.7026 -109119.7459 299.2631 73.7861 100.3335 761337.6334 -2.4778 -2.5285 PRESSURE: 211400 58.4807 98.9715 390.673 98.9721 55.8388 119.95 390.672 119.95 389.757 GPRESSURE: 211400 150.887 91.6906 386.307 142.884 140.789 95.8308 210.247 121.227 299.526 PRESSAVG: 211400 15.2585 -9.38537 -13.9629 -9.38534 -9.70027 -36.2374 -13.963 -36.2375 -9.61568 GPRESSAVG: 211400 15.102 -10.4178 -13.6683 -10.3736 -9.45735 -34.4425 -16.9501 -37.1174 -10.1983 TIMING: 211400 CPU: 672.69, 0.0031794/step Wall: 672.69, 0.0031794/step, 4.22913 hours remaining, 229.882812 MB of memory in use. ENERGY: 211400 4010.0944 20346.8136 14496.1000 242.1501 -202951.4319 2145.4949 0.0000 0.0000 52224.0924 -109486.6865 300.1326 -161710.7790 -109115.8111 298.9457 168.0256 197.0676 762474.8031 -1.3525 -1.5179 PRESSURE: 211600 -40.6422 -120.831 14.2688 -120.831 -222.811 38.3289 14.2683 38.3279 18.4684 GPRESSURE: 211600 38.6353 -12.0883 -45.2873 -157.432 -234.466 -20.99 68.5591 112.521 30.8217 PRESSAVG: 211600 -19.4116 -12.4676 26.8765 -12.4675 35.7025 -40.6885 26.8765 -40.6886 7.39955 GPRESSAVG: 211600 -18.7673 -11.4654 25.0838 -10.9106 35.7689 -41.1345 27.7351 -40.6074 6.49236 TIMING: 211600 CPU: 673.327, 0.00318528/step Wall: 673.327, 0.00318528/step, 4.23678 hours remaining, 229.882812 MB of memory in use. ENERGY: 211600 3940.0754 20400.3113 14473.1677 253.2847 -203093.6597 2342.2163 0.0000 0.0000 52199.3251 -109485.2792 299.9902 -161684.6043 -109120.6398 299.2418 -81.6615 -55.0029 761069.0855 7.8968 7.8313 PRESSURE: 211800 -374.283 -84.7531 -208.093 -84.7529 -265.016 -154.993 -208.093 -154.994 21.8784 GPRESSURE: 211800 -315.167 -104.59 -199.883 -167.622 -219.488 -80.4579 -72.2869 -92.0557 -11.0675 PRESSAVG: 211800 46.5529 -42.1048 -7.68144 -42.1048 -55.9613 9.97783 -7.68146 9.97789 7.26251 GPRESSAVG: 211800 46.5266 -42.0256 -8.76 -44.3519 -56.031 9.31007 -6.52767 10.2215 7.03189 TIMING: 211800 CPU: 673.962, 0.00317563/step Wall: 673.962, 0.00317563/step, 4.22377 hours remaining, 229.882812 MB of memory in use. ENERGY: 211800 4003.8236 20486.7337 14444.0460 249.3888 -203319.3616 2549.7754 0.0000 0.0000 52060.7266 -109524.8675 299.1937 -161585.5941 -109162.9372 299.1821 -205.8068 -181.9075 762927.4457 -0.7153 -0.8242 PRESSURE: 212000 -229.294 175.278 -102.997 175.278 -10.0444 190.538 -102.998 190.537 -245.961 GPRESSURE: 212000 -137.395 157.065 -101.673 90.6041 -28.8646 140.029 -101.751 141.583 -215.219 PRESSAVG: 212000 20.3335 -6.204 -27.9692 -6.20401 -5.8652 -47.7403 -27.9692 -47.7404 3.68937 GPRESSAVG: 212000 19.7275 -7.97968 -25.4132 -4.76158 -5.6805 -47.5978 -27.8593 -48.4885 4.11852 TIMING: 212000 CPU: 674.596, 0.00316587/step Wall: 674.596, 0.00316587/step, 4.2106 hours remaining, 229.882812 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: 212000 3911.3353 20569.1189 14459.0315 230.9889 -203253.8274 2446.8775 0.0000 0.0000 51985.7225 -109650.7528 298.7627 -161636.4752 -109287.7593 299.0453 -161.7663 -127.1598 761954.6637 6.0526 6.0552 PRESSURE: 212200 -412.824 151.456 198.097 151.456 100.095 -163.664 198.097 -163.663 200.083 GPRESSURE: 212200 -131.631 125.309 231.122 145.71 15.9292 -155.437 304.291 -63.7869 73.5207 PRESSAVG: 212200 11.4868 6.56376 -13.1046 6.56376 -6.7756 2.71251 -13.1045 2.71255 20.0178 GPRESSAVG: 212200 12.2478 6.60154 -14.1936 5.88866 -7.63844 1.42926 -14.4512 4.80726 20.041 TIMING: 212200 CPU: 675.231, 0.0031756/step Wall: 675.231, 0.0031756/step, 4.22337 hours remaining, 229.882812 MB of memory in use. ENERGY: 212200 3927.4330 20501.2005 14452.9225 235.3140 -203205.1880 2432.8516 0.0000 0.0000 51785.0370 -109870.4295 297.6093 -161655.4665 -109518.1615 298.5567 -37.5487 -14.0605 760436.9389 8.2430 8.2168 LDB: ============= START OF LOAD BALANCING ============== 687.653 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 687.653 LDB: =============== DONE WITH MIGRATION ================ 687.655 LDB: ============= START OF LOAD BALANCING ============== 687.974 LDB: Largest compute 7070 load 0.037012 is 19.0% of average load 0.194815 LDB: Average compute 0.004417 is 2.3% of average load 0.194815 LDB: TIME 687.977 LOAD: AVG 0.194815 MAX 0.210935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.754 MB LDB: TIME 687.977 LOAD: AVG 0.194815 MAX 0.210935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.957 MB LDB: TIME 687.977 LOAD: AVG 0.194815 MAX 0.210935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.957 MB LDB: ============== END OF LOAD BALANCING =============== 687.979 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 687.984 PRESSURE: 212400 101.553 149.248 -108.388 149.248 -56.7126 82.28 -108.388 82.2798 304.618 GPRESSURE: 212400 174.297 161.913 -175.95 141.562 16.1871 64.183 27.2542 128.923 254.935 PRESSAVG: 212400 34.4385 23.7446 8.64237 23.7446 -4.43987 10.427 8.64226 10.427 -9.023 GPRESSAVG: 212400 33.8738 23.6488 8.98275 25.1066 -3.44489 10.4924 8.36349 9.59506 -9.79271 TIMING: 212400 CPU: 675.878, 0.00323734/step Wall: 675.878, 0.00323734/step, 4.30531 hours remaining, 228.535156 MB of memory in use. ENERGY: 212400 3930.0373 20403.3156 14332.9037 224.0402 -203464.0315 2694.3711 0.0000 0.0000 52008.6185 -109870.7451 298.8942 -161879.3636 -109512.7074 298.3252 116.4862 148.4729 760134.8395 6.9919 6.8787 PRESSURE: 212600 -296.388 126.602 66.282 126.602 115.352 54.1442 66.2825 54.1444 4.80217 GPRESSURE: 212600 -231.079 180.561 -18.433 67.4335 121.8 63.0376 -18.4454 -54.7698 30.3194 PRESSAVG: 212600 -77.1374 -12.5704 0.926424 -12.5705 75.207 -1.85804 0.926356 -1.85809 -20.3806 GPRESSAVG: 212600 -77.4533 -11.8703 -0.836446 -14.235 74.4419 0.509454 2.75118 -1.74567 -19.6977 TIMING: 212600 CPU: 676.515, 0.00318312/step Wall: 676.515, 0.00318312/step, 4.23302 hours remaining, 228.535156 MB of memory in use. ENERGY: 212600 3880.2531 20332.6066 14441.5729 228.7527 -203220.3520 2389.7462 0.0000 0.0000 52135.3858 -109812.0346 299.6228 -161947.4204 -109445.1563 298.6646 -58.7447 -26.3197 763012.1584 -7.4370 -7.5697 PRESSURE: 212800 -146.596 208.553 -157.756 208.554 14.9143 -464.421 -157.756 -464.421 -119.598 GPRESSURE: 212800 -30.9961 195.041 -95.1688 206.222 -87.1517 -365.073 -184.632 -360.774 -66.2659 PRESSAVG: 212800 -11.2654 -9.15402 -17.1819 -9.15397 24.3973 -28.0054 -17.1819 -28.0054 -1.9198 GPRESSAVG: 212800 -10.9483 -8.70251 -14.6309 -9.26484 24.7572 -28.4181 -20.448 -27.7175 -2.10889 TIMING: 212800 CPU: 677.152, 0.00318569/step Wall: 677.152, 0.00318569/step, 4.23626 hours remaining, 228.535156 MB of memory in use. ENERGY: 212800 3943.8530 20452.5333 14396.8644 249.8174 -203028.0559 2369.7430 0.0000 0.0000 51826.8219 -109788.4230 297.8495 -161615.2448 -109424.8505 298.2352 -83.7598 -61.4712 762654.7235 3.7374 3.9000 PRESSURE: 213000 81.7452 -59.3386 15.1752 -59.3375 248.17 -123.94 15.174 -123.941 410.634 GPRESSURE: 213000 104.34 -83.8952 -6.71501 -171.363 325.478 -146.968 -19.7623 -143.131 396.399 PRESSAVG: 213000 -65.5817 -30.0967 19.5549 -30.0968 55.2113 -36.6939 19.555 -36.6939 20.7521 GPRESSAVG: 213000 -66.5557 -31.7712 19.1978 -28.465 54.8199 -38.4295 21.0124 -38.1837 22.0986 TIMING: 213000 CPU: 677.794, 0.00320795/step Wall: 677.794, 0.00320795/step, 4.26569 hours remaining, 228.535156 MB of memory in use. ENERGY: 213000 3983.8112 20291.9327 14403.5778 243.6102 -203465.4676 2601.7463 0.0000 0.0000 51875.3793 -110065.4100 298.1285 -161940.7893 -109701.9671 297.9011 246.8499 275.4059 761543.5674 3.4606 3.4543 PRESSURE: 213200 -230.372 9.15298 80.0036 9.15342 364.481 -127.043 80.0033 -127.043 -315.634 GPRESSURE: 213200 -197.306 16.2472 149.268 44.3413 339.245 -188.828 120.029 -135.713 -245.198 PRESSAVG: 213200 -27.4742 20.2924 67.9018 20.2925 31.4444 -82.8386 67.9018 -82.8386 14.716 GPRESSAVG: 213200 -25.2824 22.3248 65.5704 18.188 30.3071 -83.0755 69.3082 -80.2644 13.7355 TIMING: 213200 CPU: 678.437, 0.00321639/step Wall: 678.437, 0.00321639/step, 4.27673 hours remaining, 228.535156 MB of memory in use. ENERGY: 213200 3993.2545 20465.0068 14349.1027 240.6294 -203494.5971 2544.5361 0.0000 0.0000 51846.4335 -110055.6342 297.9622 -161902.0677 -109699.1215 298.1292 -60.5081 -34.4201 761206.1749 6.2287 6.2534 PRESSURE: 213400 -96.6012 -37.3348 -70.4204 -37.3349 72.8753 2.96668 -70.4205 2.96648 178.567 GPRESSURE: 213400 -63.4329 0.900555 -99.0814 -20.0243 197.8 70.434 -41.7453 -80.1696 118.169 PRESSAVG: 213400 -22.3974 36.4924 34.023 36.4924 29.5195 -9.88681 34.023 -9.88679 -6.17082 GPRESSAVG: 213400 -23.8691 35.9593 35.6145 38.8355 31.1449 -8.08313 33.5246 -10.9353 -6.17316 TIMING: 213400 CPU: 679.072, 0.00317803/step Wall: 679.072, 0.00317803/step, 4.22555 hours remaining, 228.535156 MB of memory in use. ENERGY: 213400 3995.4334 20571.8436 14468.6807 247.2555 -203429.1439 2436.9029 0.0000 0.0000 51798.1765 -109910.8513 297.6848 -161709.0278 -109549.4958 298.0256 51.6136 84.1787 761294.2971 0.3171 0.3675 PRESSURE: 213600 -128.392 -100.544 121.279 -100.544 -2.32286 -48.53 121.278 -48.5309 352.9 GPRESSURE: 213600 -69.1225 -50.4644 171.748 -115.858 5.53917 -98.1814 61.4812 -124.076 363.547 PRESSAVG: 213600 -6.85889 -1.10065 40.6728 -1.10066 -24.8964 -2.1838 40.6728 -2.18375 20.7328 GPRESSAVG: 213600 -6.24342 -1.19423 40.0528 -3.06968 -23.7696 -4.54649 40.0956 -1.26599 19.3718 TIMING: 213600 CPU: 679.705, 0.003164/step Wall: 679.705, 0.003164/step, 4.20671 hours remaining, 228.535156 MB of memory in use. ENERGY: 213600 3969.2924 20404.1683 14453.6959 249.1268 -203520.4004 2348.8686 0.0000 0.0000 51759.9765 -110335.2719 297.4653 -162095.2484 -109973.7819 298.3778 74.0619 99.9880 760173.7375 -3.6742 -3.5471 PRESSURE: 213800 -74.4223 20.8897 40.5883 20.889 351.772 77.9079 40.5881 77.9078 -150.329 GPRESSURE: 213800 -35.919 -46.3281 -24.3309 -33.1952 391.469 197.082 76.9849 133.724 -140.84 PRESSAVG: 213800 -36.4012 -18.0324 39.8344 -18.0325 2.3404 -25.6096 39.8344 -25.6096 -2.45739 GPRESSAVG: 213800 -36.4005 -16.242 39.834 -18.582 0.583713 -23.2959 39.4999 -26.1872 -0.973381 TIMING: 213800 CPU: 680.34, 0.00317363/step Wall: 680.34, 0.00317363/step, 4.21934 hours remaining, 228.535156 MB of memory in use. ENERGY: 213800 4007.7158 20612.6866 14408.9498 245.5355 -203800.9612 2745.4392 0.0000 0.0000 51627.5763 -110153.0580 296.7044 -161780.6343 -109801.6926 297.9932 42.3402 71.5700 761292.5266 -12.1727 -12.2634 PRESSURE: 214000 -118.606 -66.8785 -24.0613 -66.8775 224.597 150.129 -24.0613 150.129 27.708 GPRESSURE: 214000 6.46988 -117.574 10.3726 -63.4114 192.68 115.372 25.0736 255.179 1.40877 PRESSAVG: 214000 -60.6383 -57.9828 11.779 -57.9828 27.2461 24.5823 11.779 24.5823 -7.52069 GPRESSAVG: 214000 -60.0066 -60.4735 11.9983 -57.3175 26.5173 23.7489 12.817 24.358 -7.92034 TIMING: 214000 CPU: 680.971, 0.00315456/step Wall: 680.971, 0.00315456/step, 4.19382 hours remaining, 228.535156 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: 214000 3950.7177 20466.5046 14350.3465 251.6348 -204096.9808 2621.9173 0.0000 0.0000 52341.2951 -110114.5647 300.8061 -162455.8598 -109753.3641 298.1925 44.5666 66.8530 760740.4193 -13.6376 -13.8032 PRESSURE: 214200 -188.462 89.3546 -82.8464 89.3553 128.314 161.034 -82.8459 161.034 60.1297 GPRESSURE: 214200 -77.9162 12.4108 4.93567 40.7899 154.734 141.884 22.4555 63.0376 2.7409 PRESSAVG: 214200 -59.1021 -24.0997 67.338 -24.0997 63.2821 46.6507 67.338 46.6508 -10.6925 GPRESSAVG: 214200 -58.6877 -24.2722 66.7135 -24.1864 64.6862 44.9325 66.9802 46.2469 -11.7831 TIMING: 214200 CPU: 681.609, 0.00319108/step Wall: 681.609, 0.00319108/step, 4.24218 hours remaining, 228.535156 MB of memory in use. ENERGY: 214200 3866.7365 20475.2373 14404.7128 253.3881 -203561.3003 2492.6032 0.0000 0.0000 51977.5339 -110091.0886 298.7156 -162068.6225 -109732.5660 298.3711 -0.0059 26.5194 760055.4896 -2.1708 -1.9282 PRESSURE: 214400 33.7767 119.672 237.728 119.672 -48.5082 -214.159 237.729 -214.16 12.3841 GPRESSURE: 214400 192.91 259.924 231.196 66.3577 -93.6723 -292.269 86.9679 -215.909 -10.3387 PRESSAVG: 214400 -41.7915 -37.7062 -17.1418 -37.7063 17.0561 -10.3791 -17.1417 -10.3791 -12.5936 GPRESSAVG: 214400 -41.0526 -35.2535 -16.145 -38.6364 16.7117 -9.3797 -17.5828 -11.1139 -12.2839 TIMING: 214400 CPU: 682.24, 0.00315254/step Wall: 682.24, 0.00315254/step, 4.19077 hours remaining, 228.535156 MB of memory in use. ENERGY: 214400 3924.0306 20328.8667 14390.4903 258.4190 -204571.3578 3138.1796 0.0000 0.0000 52005.3334 -110526.0382 298.8754 -162531.3716 -110152.8430 297.7404 -0.7825 29.6330 758815.2677 -12.4430 -12.2083 PRESSURE: 214600 69.8353 -188.259 105.704 -188.258 -193.08 -66.653 105.704 -66.6525 -117.07 GPRESSURE: 214600 -1.86285 -176.075 92.2559 -120.573 -53.3619 -10.7272 81.16 -119.92 -104.543 PRESSAVG: 214600 1.92762 12.1446 -11.3775 12.1446 -12.1506 -1.47579 -11.3775 -1.47591 -8.53377 GPRESSAVG: 214600 0.716326 9.33565 -12.6533 13.1823 -11.2372 -2.4556 -11.5042 2.03973 -7.80144 TIMING: 214600 CPU: 682.875, 0.00317864/step Wall: 682.875, 0.00317864/step, 4.2253 hours remaining, 228.535156 MB of memory in use. ENERGY: 214600 3964.0264 20313.9777 14383.4809 243.7558 -203448.1281 2360.5473 0.0000 0.0000 51473.0979 -110709.2421 295.8166 -162182.3400 -110350.2658 297.1438 -80.1049 -53.2560 760380.1719 -6.2523 -6.1074 PRESSURE: 214800 -62.0641 -114.623 60.3219 -114.622 -350.004 193.408 60.3215 193.408 244.684 GPRESSURE: 214800 -30.1544 -105.618 33.6531 -109.551 -242.249 237.354 38.5269 135.583 186.559 PRESSAVG: 214800 -7.67344 -0.475768 18.9553 -0.475785 17.93 15.5435 18.9553 15.5435 -17.3932 GPRESSAVG: 214800 -7.0344 0.189617 19.7679 1.38766 17.2199 17.1448 18.7368 13.1344 -18.1917 TIMING: 214800 CPU: 683.509, 0.00316637/step Wall: 683.509, 0.00316637/step, 4.20881 hours remaining, 228.535156 MB of memory in use. ENERGY: 214800 4044.0074 20430.2661 14420.0075 252.6609 -204013.7660 2725.2982 0.0000 0.0000 51675.3067 -110466.2191 296.9787 -162141.5258 -110121.3371 297.1014 -55.7947 -28.6147 760721.3351 -2.3789 -2.6687 PRESSURE: 215000 -62.1247 -143.768 -43.2171 -143.768 -406.125 96.2962 -43.217 96.2959 -334.933 GPRESSURE: 215000 -99.3107 5.75607 -63.7051 -272.898 -320.817 138.705 -31.6547 122.011 -267.345 PRESSAVG: 215000 0.212433 24.3042 32.4502 24.3042 17.4799 45.4769 32.4502 45.4768 9.45895 GPRESSAVG: 215000 -0.704684 24.9615 31.6578 21.5723 16.9417 45.7426 33.1172 46.2242 11.2386 TIMING: 215000 CPU: 684.148, 0.00319859/step Wall: 684.148, 0.00319859/step, 4.25146 hours remaining, 228.535156 MB of memory in use. ENERGY: 215000 4001.6665 20456.2879 14396.3358 252.1118 -203584.0251 2422.3384 0.0000 0.0000 51870.5922 -110184.6925 298.1010 -162055.2847 -109826.7349 297.6059 -267.7274 -229.1577 760535.7308 9.0504 9.1586 PRESSURE: 215200 61.1753 -94.562 116.303 -94.5621 22.0093 -174.917 116.303 -174.916 -25.8646 GPRESSURE: 215200 93.3562 -7.31345 -50.5172 32.7323 12.8799 -251.187 221.831 -76.8962 33.6336 PRESSAVG: 215200 9.54559 -49.058 48.5537 -49.058 -21.6835 -2.81706 48.5538 -2.81698 25.4054 GPRESSAVG: 215200 10.3416 -48.0656 46.6759 -48.1491 -21.3505 -1.53369 48.4688 -3.06587 24.3202 TIMING: 215200 CPU: 684.786, 0.00318803/step Wall: 684.786, 0.00318803/step, 4.23725 hours remaining, 228.535156 MB of memory in use. ENERGY: 215200 3969.0096 20428.9842 14408.9931 246.8505 -203886.0349 2590.1665 0.0000 0.0000 52222.0217 -110020.0092 300.1207 -162242.0310 -109655.9867 298.2635 19.1067 46.6232 758602.5780 4.4225 4.4371 PRESSURE: 215400 39.9629 -149.709 -12.1568 -149.708 -3.54402 138.103 -12.1567 138.104 -53.9661 GPRESSURE: 215400 -18.4105 -161.889 34.424 -161.331 39.6557 105.042 -54.4904 102.326 34.4935 PRESSAVG: 215400 28.3952 -36.778 34.1006 -36.778 -9.8471 -0.243815 34.1006 -0.243895 -12.6005 GPRESSAVG: 215400 28.6769 -38.7762 36.1587 -36.7622 -9.858 -2.15743 33.1605 -0.392605 -13.9108 TIMING: 215400 CPU: 685.424, 0.00318891/step Wall: 685.424, 0.00318891/step, 4.23823 hours remaining, 228.535156 MB of memory in use. ENERGY: 215400 3880.1771 20494.5831 14513.0520 250.3811 -203165.4287 2272.6014 0.0000 0.0000 51881.0620 -109873.5719 298.1612 -161754.6340 -109490.8501 298.8978 -5.8491 18.5795 760130.2149 1.9825 1.6360 PRESSURE: 215600 -395.134 15.2585 107.738 15.2589 175.18 13.3721 107.738 13.3722 -71.1448 GPRESSURE: 215600 -321.252 21.5302 68.4434 42.3132 132.973 -74.8399 89.1577 -28.4264 -4.71575 PRESSAVG: 215600 10.8665 -42.877 23.4963 -42.8769 -37.0734 31.6875 23.4964 31.6875 10.4988 GPRESSAVG: 215600 9.36098 -40.0596 23.2724 -45.4416 -37.0636 32.1698 23.7612 33.0831 12.5218 TIMING: 215600 CPU: 686.058, 0.00317148/step Wall: 686.058, 0.00317148/step, 4.2149 hours remaining, 228.535156 MB of memory in use. ENERGY: 215600 3938.9983 20357.6783 14454.7135 247.8091 -203683.1370 2634.3393 0.0000 0.0000 52262.7415 -109786.8570 300.3547 -162049.5985 -109419.1308 298.5618 -97.0328 -64.3313 758830.0579 -5.2360 -5.0603 PRESSURE: 215800 289.283 -153.796 109.796 -153.796 153.995 323.148 109.797 323.148 -3.92313 GPRESSURE: 215800 310.27 -79.7194 51.7059 -84.506 197.024 350.986 27.2139 264.229 7.20491 PRESSAVG: 215800 26.6895 -24.1907 21.4867 -24.1908 -10.0109 20.3772 21.4867 20.3772 -15.6012 GPRESSAVG: 215800 26.4997 -23.5733 21.5538 -23.5982 -9.72581 20.0285 22.1235 18.0105 -15.3092 TIMING: 215800 CPU: 686.692, 0.00316942/step Wall: 686.692, 0.00316942/step, 4.21199 hours remaining, 228.535156 MB of memory in use. ENERGY: 215800 3924.3921 20278.0568 14473.5687 237.9022 -203484.3465 2705.3915 0.0000 0.0000 52213.6119 -109651.4233 300.0723 -161865.0352 -109287.9312 298.6085 146.4516 171.4996 759839.4325 0.3591 0.4882 PRESSURE: 216000 101.763 252.407 -100.612 252.408 285.012 165.389 -100.612 165.388 -122.922 GPRESSURE: 216000 101.727 167.435 -11.6565 205.469 312.944 203.306 -91.5281 45.1674 -72.3053 PRESSAVG: 216000 -19.1313 -14.9217 -14.2862 -14.9217 8.8795 64.6784 -14.2862 64.6784 -9.5185 GPRESSAVG: 216000 -18.249 -16.6754 -13.7468 -14.6987 8.84849 65.8009 -14.202 64.5525 -10.288 TIMING: 216000 CPU: 687.325, 0.00316658/step Wall: 687.325, 0.00316658/step, 4.20803 hours remaining, 228.535156 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: 216000 3972.9884 20442.0081 14446.8520 248.3228 -203785.0521 3047.8852 0.0000 0.0000 51962.0111 -109664.9845 298.6264 -161626.9956 -109298.6865 298.7634 87.9511 114.1219 761677.0305 -6.5901 -6.5628 PRESSURE: 216200 -280.743 126.268 -177.042 126.267 138.403 135.784 -177.041 135.784 -620.055 GPRESSURE: 216200 -304.644 67.1104 -59.5958 117.702 185.73 69.127 -215.058 32.3063 -556.594 PRESSAVG: 216200 -3.60911 -57.3298 9.11077 -57.3298 -9.72148 69.2965 9.11075 69.2965 -14.9559 GPRESSAVG: 216200 -2.8834 -58.1846 7.84697 -56.5022 -10.1263 67.2738 11.4852 71.0993 -14.8372 TIMING: 216200 CPU: 687.962, 0.003183/step Wall: 687.962, 0.003183/step, 4.22967 hours remaining, 228.535156 MB of memory in use. ENERGY: 216200 4034.6563 20437.9657 14491.5971 255.1058 -203116.1649 2270.3604 0.0000 0.0000 51806.1310 -109820.3486 297.7305 -161626.4796 -109464.6727 298.8716 -254.1316 -225.1697 762399.9223 -9.4288 -9.2823 LDB: ============= START OF LOAD BALANCING ============== 700.387 LDB: ============== END OF LOAD BALANCING =============== 700.387 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 700.389 LDB: ============= START OF LOAD BALANCING ============== 700.708 LDB: Largest compute 7047 load 0.033665 is 17.3% of average load 0.194941 LDB: Average compute 0.004410 is 2.3% of average load 0.194941 LDB: TIME 700.711 LOAD: AVG 0.194941 MAX 0.210209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.449 MB LDB: TIME 700.711 LOAD: AVG 0.194941 MAX 0.210209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.652 MB LDB: TIME 700.712 LOAD: AVG 0.194941 MAX 0.210209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.652 MB LDB: ============== END OF LOAD BALANCING =============== 700.713 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 700.718 PRESSURE: 216400 -182.935 -174.181 69.6523 -174.181 -337.68 45.7821 69.6523 45.7815 -37.0911 GPRESSURE: 216400 -210.147 -168.183 154.689 -166.274 -238.657 18.6844 98.5045 157.427 -36.5212 PRESSAVG: 216400 -25.17 -26.0874 57.9563 -26.0873 3.76954 8.85666 57.9563 8.85662 12.1149 GPRESSAVG: 216400 -25.8278 -23.8992 58.7409 -26.4512 3.97081 9.29587 55.8446 9.45117 12.0899 TIMING: 216400 CPU: 688.612, 0.00325263/step Wall: 688.612, 0.00325263/step, 4.32202 hours remaining, 229.886719 MB of memory in use. ENERGY: 216400 3958.2464 20680.2088 14463.1755 217.0539 -203443.6061 2582.6995 0.0000 0.0000 51795.9397 -109746.2823 297.6720 -161542.2221 -109379.2054 298.4801 -185.9021 -161.7751 759834.4861 -3.0952 -3.2557 PRESSURE: 216600 -20.3784 254.458 -22.2816 254.457 82.7292 178.424 -22.2815 178.425 88.8974 GPRESSURE: 216600 52.0933 190.299 26.9244 215.471 94.3389 93.1089 -38.7154 14.0583 102.72 PRESSAVG: 216600 32.38 -82.523 7.21484 -82.5229 -0.128332 34.207 7.21487 34.2072 -9.40764 GPRESSAVG: 216600 32.8926 -83.5394 7.42341 -82.8614 0.0724706 32.9283 8.6585 31.7941 -10.2514 TIMING: 216600 CPU: 689.248, 0.00317926/step Wall: 689.248, 0.00317926/step, 4.22435 hours remaining, 230.269531 MB of memory in use. ENERGY: 216600 3903.0119 20530.8833 14495.5245 240.3292 -203750.9697 2709.7428 0.0000 0.0000 52022.9861 -109848.4919 298.9768 -161871.4780 -109483.5921 298.7303 50.4161 83.0507 761051.8977 7.6147 7.5712 PRESSURE: 216800 -327.75 -103.046 -5.09986 -103.046 -174.731 27.7779 -5.09978 27.7787 -150.078 GPRESSURE: 216800 -295.83 -103.692 73.5914 -28.9914 -173.416 26.1123 -48.4911 -23.1564 -109.426 PRESSAVG: 216800 -9.55747 -33.1036 -1.51516 -33.1036 -2.74778 38.373 -1.51522 38.373 10.9032 GPRESSAVG: 216800 -9.19727 -33.0092 -2.06184 -32.3806 -3.3127 39.672 -1.27744 38.6729 12.0206 TIMING: 216800 CPU: 689.885, 0.00318536/step Wall: 689.885, 0.00318536/step, 4.23229 hours remaining, 230.269531 MB of memory in use. ENERGY: 216800 4005.8914 20428.9790 14424.9880 256.9057 -203584.3111 2464.6386 0.0000 0.0000 52197.1274 -109805.7809 299.9776 -162002.9084 -109437.7099 298.6696 -217.5198 -192.8904 760661.8495 -0.4673 -0.1631 PRESSURE: 217000 -151.944 -101.993 -53.2475 -101.992 82.499 -84.1913 -53.247 -84.1911 -87.9834 GPRESSURE: 217000 -122.305 -99.7609 -74.1346 -72.5655 138.838 -57.2367 -18.7373 47.2564 -70.3755 PRESSAVG: 217000 -54.993 -41.0551 17.3067 -41.0551 58.8096 -9.39003 17.3067 -9.38999 -1.12162 GPRESSAVG: 217000 -55.7556 -40.9157 16.1056 -38.6739 59.9502 -10.255 16.7288 -7.18355 -1.24165 TIMING: 217000 CPU: 690.517, 0.00315771/step Wall: 690.517, 0.00315771/step, 4.19536 hours remaining, 230.269531 MB of memory in use. ENERGY: 217000 4011.0753 20411.5625 14444.1085 268.2541 -202940.6724 2242.2206 0.0000 0.0000 51913.7587 -109649.6925 298.3491 -161563.4513 -109287.5899 298.8686 -52.4762 -17.9477 760852.2710 0.8983 0.9843 PRESSURE: 217200 35.4116 -83.1076 -90.685 -83.1078 0.918029 -51.4559 -90.6841 -51.4562 -28.5247 GPRESSURE: 217200 126.584 -172.56 -25.5464 -204.322 24.2805 -21.6212 47.3816 -122.55 -63.7276 PRESSAVG: 217200 -25.349 -65.3031 0.207247 -65.3032 39.7737 49.7609 0.207266 49.7609 19.29 GPRESSAVG: 217200 -24.7573 -65.4214 0.976346 -66.8827 39.061 52.1028 0.249441 46.207 19.4574 TIMING: 217200 CPU: 691.151, 0.00316884/step Wall: 691.151, 0.00316884/step, 4.20998 hours remaining, 230.269531 MB of memory in use. ENERGY: 217200 4015.8474 20600.9325 14501.3236 264.4521 -203781.2302 2897.1580 0.0000 0.0000 52177.7375 -109323.7791 299.8662 -161501.5166 -108966.8520 299.5857 2.6016 29.0457 760249.8012 11.2382 11.2537 PRESSURE: 217400 -306.149 -33.0123 196.643 -33.0122 209.063 -1.89934 196.642 -1.89952 66.8905 GPRESSURE: 217400 -236.074 -32.6877 159.771 -123.162 144.83 41.0011 386.016 57.2675 149.966 PRESSAVG: 217400 5.67329 -69.2724 -2.32045 -69.2724 23.5888 17.3813 -2.32047 17.3812 -11.9853 GPRESSAVG: 217400 5.10998 -70.2336 -2.5951 -68.6246 23.6786 15.9407 -0.846001 18.5325 -11.3663 TIMING: 217400 CPU: 691.782, 0.00315903/step Wall: 691.782, 0.00315903/step, 4.19678 hours remaining, 230.269531 MB of memory in use. ENERGY: 217400 4009.1581 20430.0409 14443.8514 244.0655 -203554.0644 2701.8721 0.0000 0.0000 52198.7554 -109526.3209 299.9870 -161725.0764 -109162.9763 300.1168 -10.0652 19.5740 760237.4127 5.7589 5.8074 PRESSURE: 217600 72.6346 -24.6891 -305.238 -24.689 276.493 133.639 -305.239 133.638 168.824 GPRESSURE: 217600 104.441 -50.9338 -256.122 42.1629 240.458 131.614 -260.117 -6.33395 254.804 PRESSAVG: 217600 -34.4418 -7.21958 -9.18672 -7.21962 22.5271 47.9678 -9.18675 47.9678 -0.780237 GPRESSAVG: 217600 -34.0437 -5.98483 -9.82246 -10.1931 22.0711 47.6525 -9.62256 46.9433 0.210249 TIMING: 217600 CPU: 692.412, 0.00315022/step Wall: 692.412, 0.00315022/step, 4.18489 hours remaining, 230.269531 MB of memory in use. ENERGY: 217600 3992.3051 20400.5544 14476.9424 246.3825 -203585.0664 2981.2432 0.0000 0.0000 51905.5446 -109582.0942 298.3019 -161487.6388 -109211.4974 299.1682 172.6506 199.9008 762326.5300 -4.2316 -3.9208 PRESSURE: 217800 -123.314 -61.3354 138.212 -61.3357 -28.4453 154.835 138.211 154.836 39.9608 GPRESSURE: 217800 -37.7863 30.0109 9.20859 -140.078 24.7307 81.0774 130.657 139.055 -11.1486 PRESSAVG: 217800 -18.9756 -36.7109 57.8955 -36.7109 13.069 31.5227 57.8955 31.5227 8.01963 GPRESSAVG: 217800 -19.1875 -36.8559 57.5361 -35.7252 14.7525 31.9362 57.1899 34.5155 6.4006 TIMING: 217800 CPU: 693.045, 0.00316417/step Wall: 693.045, 0.00316417/step, 4.20325 hours remaining, 230.269531 MB of memory in use. ENERGY: 217800 4033.2368 20393.9546 14431.9476 249.3114 -203325.3429 2772.7118 0.0000 0.0000 51934.9803 -109509.2004 298.4710 -161444.1807 -109139.6763 298.9964 -37.2661 -8.0681 760982.3345 0.7043 0.6552 PRESSURE: 218000 -226.119 -16.7729 77.8088 -16.7724 -107.415 71.4206 77.8096 71.4209 -55.4405 GPRESSURE: 218000 -160.718 -86.9758 131.925 -23.0795 -86.8727 67.7934 129.351 246.292 -52.4936 PRESSAVG: 218000 -12.4724 0.651705 20.4326 0.65169 -0.612604 82.7828 20.4325 82.7827 1.07547 GPRESSAVG: 218000 -12.8305 -1.429 20.6306 1.25672 -0.590602 81.999 21.2442 81.4885 1.68144 TIMING: 218000 CPU: 693.677, 0.00315791/step Wall: 693.677, 0.00315791/step, 4.19476 hours remaining, 230.269531 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: 218000 4048.2544 20492.3542 14553.8136 245.3244 -203459.1666 2454.9003 0.0000 0.0000 52086.8809 -109577.6389 299.3440 -161664.5198 -109216.1527 299.0210 -129.6581 -100.0281 760513.8794 -4.0032 -3.9132 PRESSURE: 218200 -161.748 -10.7588 -109.334 -10.7582 -71.4172 -259.897 -109.336 -259.896 101.12 GPRESSURE: 218200 -98.3678 27.6919 -62.9968 37.6279 28.2384 -276.483 3.39635 -298.596 44.6409 PRESSAVG: 218200 27.9057 -27.574 37.864 -27.574 -16.5473 87.3141 37.864 87.314 -0.746842 GPRESSAVG: 218200 28.9674 -25.6419 39.4676 -27.8818 -18.152 89.8886 38.0321 84.1404 -0.420336 TIMING: 218200 CPU: 694.304, 0.00313731/step Wall: 694.304, 0.00313731/step, 4.16721 hours remaining, 230.285156 MB of memory in use. ENERGY: 218200 3963.0843 20445.9051 14482.2068 241.2385 -203193.5642 2568.4431 0.0000 0.0000 52026.6119 -109466.0745 298.9977 -161492.6864 -109104.4904 299.4711 -44.0153 -8.4962 762361.7557 3.5372 3.4650 PRESSURE: 218400 -12.0091 7.87277 102.257 7.87379 440.784 24.1426 102.257 24.1424 111.289 GPRESSURE: 218400 40.5151 -105.085 72.4638 56.5481 479.26 171.757 59.9593 37.8095 113.837 PRESSAVG: 218400 -18.6164 -25.4151 20.4907 -25.415 -5.40777 -7.77378 20.4907 -7.77382 -0.998877 GPRESSAVG: 218400 -19.4123 -23.8827 21.2122 -26.0721 -4.46032 -9.66389 19.1367 -5.54158 -1.52365 TIMING: 218400 CPU: 694.931, 0.00313184/step Wall: 694.931, 0.00313184/step, 4.15977 hours remaining, 230.285156 MB of memory in use. ENERGY: 218400 4011.2128 20642.4976 14420.9026 237.2192 -203755.4334 2799.6901 0.0000 0.0000 52047.6765 -109596.2347 299.1187 -161643.9112 -109238.4659 298.7819 180.0213 211.2040 759469.2869 -8.3410 -8.4654 PRESSURE: 218600 -131.071 -336.096 -113.039 -336.096 -160.19 27.7124 -113.039 27.712 -110.212 GPRESSURE: 218600 -59.7257 -345.187 -210.553 -336.976 -132.361 43.1221 64.4577 48.9954 -121.489 PRESSAVG: 218600 51.4092 -99.8126 -23.4653 -99.8125 -46.9815 -13.2488 -23.4653 -13.2488 11.198 GPRESSAVG: 218600 51.196 -102.4 -23.2529 -99.6941 -46.3074 -11.4779 -23.1063 -13.7553 10.6003 TIMING: 218600 CPU: 695.558, 0.0031381/step Wall: 695.558, 0.0031381/step, 4.16792 hours remaining, 230.285156 MB of memory in use. ENERGY: 218600 4015.6508 20459.9532 14435.7745 256.5270 -203140.9671 2352.7451 0.0000 0.0000 52207.6153 -109412.7014 300.0379 -161620.3167 -109050.6129 299.1508 -133.8245 -104.5253 760640.8316 5.2086 5.1630 PRESSURE: 218800 3.66077 -194.425 239.327 -194.424 -228.667 169.326 239.326 169.326 -35.2851 GPRESSURE: 218800 25.485 -103.342 197.547 -248.817 -154.643 171.53 299.041 -5.84533 -37.775 PRESSAVG: 218800 -35.3287 -64.8445 21.6582 -64.8445 25.0922 35.6755 21.6582 35.6756 -6.26852 GPRESSAVG: 218800 -33.7559 -64.3067 19.4121 -66.0575 23.8883 34.2797 24.5978 34.6415 -6.74483 TIMING: 218800 CPU: 696.184, 0.00312919/step Wall: 696.184, 0.00312919/step, 4.15591 hours remaining, 230.285156 MB of memory in use. ENERGY: 218800 3915.6238 20381.7347 14460.1240 234.7969 -203241.6096 2489.1039 0.0000 0.0000 52149.5863 -109610.6402 299.7044 -161760.2265 -109245.2909 299.5862 -86.7639 -55.6445 761025.4160 -5.5017 -5.5375 PRESSURE: 219000 -271.258 78.9156 -317.077 78.9156 256.6 -144.675 -317.077 -144.674 15.7441 GPRESSURE: 219000 -173.489 -60.678 -332.039 85.2339 226.462 -99.9658 -260.413 -86.7544 55.3925 PRESSAVG: 219000 -63.2521 -44.5106 8.856 -44.5106 51.7625 11.8454 8.85594 11.8455 -3.20532 GPRESSAVG: 219000 -64.2497 -44.5272 8.9777 -41.1637 52.5119 12.4566 4.82899 14.1486 -2.71061 TIMING: 219000 CPU: 696.811, 0.00313657/step Wall: 696.811, 0.00313657/step, 4.16554 hours remaining, 230.285156 MB of memory in use. ENERGY: 219000 4040.4153 20271.0758 14459.2923 258.3504 -203399.9184 2671.7413 0.0000 0.0000 52015.0205 -109684.0228 298.9310 -161699.0433 -109323.8418 299.0768 0.3620 36.1217 759445.9404 -4.8983 -4.8161 PRESSURE: 219200 -59.4503 -71.9069 -17.5914 -71.9068 -267.311 -54.975 -17.5915 -54.9756 -256.432 GPRESSURE: 219200 -72.6587 -141.338 -122.292 12.1816 -237.18 -35.4481 17.4196 70.4416 -196.489 PRESSAVG: 219200 42.2927 -35.2985 44.8576 -35.2985 -20.2159 15.968 44.8576 15.9679 12.6164 GPRESSAVG: 219200 42.5974 -32.8855 46.2274 -37.2411 -19.2676 14.6466 46.478 15.1113 11.7408 TIMING: 219200 CPU: 697.442, 0.00315089/step Wall: 697.442, 0.00315089/step, 4.18438 hours remaining, 230.285156 MB of memory in use. ENERGY: 219200 4047.9217 20493.0659 14442.8874 230.0546 -203245.5784 2384.9972 0.0000 0.0000 51948.0945 -109698.5570 298.5464 -161646.6515 -109336.0226 299.1209 -194.3978 -168.7757 759468.0044 11.5644 11.6902 PRESSURE: 219400 -304.832 -76.6115 35.1211 -76.6112 -324.529 40.2083 35.1207 40.2102 441.03 GPRESSURE: 219400 -277.634 -65.3628 107.218 -77.6347 -233.029 2.12138 144.151 201.659 394.01 PRESSAVG: 219400 -21.9289 -48.4446 -31.2694 -48.4446 18.8834 -1.01364 -31.2694 -1.01361 14.76 GPRESSAVG: 219400 -22.1262 -50.6719 -31.0107 -50.189 18.0678 0.340308 -31.3587 -0.916905 15.9319 TIMING: 219400 CPU: 698.07, 0.00314049/step Wall: 698.07, 0.00314049/step, 4.1704 hours remaining, 230.285156 MB of memory in use. ENERGY: 219400 4094.6301 20505.4431 14454.4814 227.1187 -203490.2393 2511.9382 0.0000 0.0000 52065.7022 -109630.9254 299.2223 -161696.6277 -109275.8583 298.9215 -62.7769 -38.8845 761455.0156 3.9049 3.9578 PRESSURE: 219600 -172.579 142.79 78.4878 142.79 -126.885 -62.5123 78.4872 -62.5125 -162.885 GPRESSURE: 219600 -166.06 111.914 73.7371 39.8913 -69.3553 -109.747 -78.2618 -65.8817 -140.886 PRESSAVG: 219600 -20.6644 -11.2868 48.5249 -11.2868 10.5101 2.29744 48.5249 2.29739 -0.248681 GPRESSAVG: 219600 -21.3352 -9.82318 48.0637 -8.72358 11.6221 2.85953 47.9336 2.79724 -0.268815 TIMING: 219600 CPU: 698.7, 0.00314955/step Wall: 698.7, 0.00314955/step, 4.18225 hours remaining, 230.285156 MB of memory in use. ENERGY: 219600 3926.5276 20413.9216 14477.4867 239.0435 -203382.2000 2343.1605 0.0000 0.0000 52253.0630 -109728.9971 300.2991 -161982.0601 -109357.8640 298.7639 -154.1163 -125.4336 760253.4400 -3.4677 -3.3273 PRESSURE: 219800 75.9712 -74.3813 171.462 -74.3815 158.893 276.931 171.462 276.932 -23.7943 GPRESSURE: 219800 157.267 -52.275 52.9428 -122.788 162.621 172.171 238.2 226.803 -31.9819 PRESSAVG: 219800 -18.2796 -6.58688 -17.4332 -6.58689 -2.48092 43.401 -17.4332 43.4009 -4.31848 GPRESSAVG: 219800 -17.4446 -8.21736 -18.3967 -5.83495 -3.28441 41.7589 -17.7046 42.9718 -4.07261 TIMING: 219800 CPU: 699.332, 0.00316326/step Wall: 699.332, 0.00316326/step, 4.20029 hours remaining, 230.285156 MB of memory in use. ENERGY: 219800 4028.7747 20535.3595 14468.6895 259.6108 -203297.7937 2440.4716 0.0000 0.0000 51797.0556 -109767.8321 297.6784 -161564.8877 -109412.5947 299.2572 70.3568 95.9688 760336.3921 -8.3597 -8.2672 PRESSURE: 220000 400.481 -39.635 18.1828 -39.6356 272.36 -186.298 18.1824 -186.297 144.329 GPRESSURE: 220000 347.483 -81.1098 53.2517 -151.245 346.693 -183.347 50.3784 -79.5491 197.479 PRESSAVG: 220000 -37.3539 -36.9944 29.9777 -36.9944 64.4034 -9.56419 29.9776 -9.56415 -1.14421 GPRESSAVG: 220000 -37.6095 -36.5615 30.3151 -37.1972 63.6094 -7.56391 28.9507 -9.50506 0.0655251 TIMING: 220000 CPU: 699.966, 0.00316981/step Wall: 699.966, 0.00316981/step, 4.20881 hours remaining, 230.285156 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: 220000 3938.6912 20528.4494 14559.6142 265.9891 -204084.3301 3063.0807 0.0000 0.0000 51935.3845 -109793.1208 298.4734 -161728.5053 -109429.9996 298.5262 272.3901 297.2187 759966.2769 8.6351 8.6885 PRESSURE: 220200 -120.654 -243.984 -207.857 -243.984 43.4444 47.8396 -207.856 47.8394 -0.37588 GPRESSURE: 220200 -94.7731 -176.745 -217.961 -209.408 113.633 -19.3081 -62.4663 3.07577 -24.5315 PRESSAVG: 220200 -40.4441 -71.7491 7.85273 -71.7491 -1.74084 0.398799 7.85275 0.398805 -6.00861 GPRESSAVG: 220200 -39.8164 -70.7743 7.91483 -74.3124 -0.6867 -1.11776 9.78096 -0.149487 -7.77794 TIMING: 220200 CPU: 700.597, 0.00315432/step Wall: 700.597, 0.00315431/step, 4.18805 hours remaining, 230.285156 MB of memory in use. ENERGY: 220200 3936.0875 20506.2391 14516.7809 251.9716 -203915.1404 2774.9299 0.0000 0.0000 51980.8185 -109948.3128 298.7345 -161929.1314 -109586.1637 298.8334 -25.8620 -1.8907 760783.3120 -16.0645 -16.0937 LDB: ============= START OF LOAD BALANCING ============== 713.02 LDB: ============== END OF LOAD BALANCING =============== 713.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 713.022 LDB: ============= START OF LOAD BALANCING ============== 713.342 LDB: Largest compute 7070 load 0.034420 is 17.7% of average load 0.194842 LDB: Average compute 0.004418 is 2.3% of average load 0.194842 LDB: TIME 713.345 LOAD: AVG 0.194842 MAX 0.208759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.629 MB LDB: TIME 713.345 LOAD: AVG 0.194842 MAX 0.208759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.832 MB LDB: TIME 713.345 LOAD: AVG 0.194842 MAX 0.208759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.832 MB LDB: ============== END OF LOAD BALANCING =============== 713.347 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 713.352 PRESSURE: 220400 -56.0035 -55.6938 116.069 -55.6938 -127.092 349.58 116.068 349.581 -426.098 GPRESSURE: 220400 -18.3194 -37.5533 158.778 -208.409 -72.581 426.101 -4.68842 333.849 -432.267 PRESSAVG: 220400 -80.4983 -77.7081 -10.9989 -77.7082 63.02 23.1848 -10.9988 23.1848 10.8057 GPRESSAVG: 220400 -80.7919 -77.7183 -11.3264 -75.1649 61.861 24.4268 -11.2983 23.9286 12.2835 TIMING: 220400 CPU: 701.246, 0.00324647/step Wall: 701.246, 0.00324647/step, 4.31023 hours remaining, 231.167969 MB of memory in use. ENERGY: 220400 3961.4147 20494.2539 14461.4927 247.7290 -203643.4688 2375.1899 0.0000 0.0000 52125.2660 -109978.1224 299.5646 -162103.3884 -109617.8305 298.4569 -203.0644 -174.3890 762210.0431 -2.2242 -2.2158 PRESSURE: 220600 -23.7365 -68.9046 131.605 -68.9052 41.0453 -82.9101 131.605 -82.9097 -120.48 GPRESSURE: 220600 -33.9184 -165.877 108.748 -55.5142 119.301 -64.4141 93.6733 -180.575 -113.892 PRESSAVG: 220600 -78.0343 -45.8706 28.492 -45.8706 -2.08038 -4.91206 28.492 -4.9121 -19.9634 GPRESSAVG: 220600 -76.1546 -44.649 28.5893 -47.5029 -2.2187 -5.74985 27.5067 -5.87366 -21.8491 TIMING: 220600 CPU: 701.88, 0.00316712/step Wall: 701.88, 0.00316712/step, 4.2047 hours remaining, 231.167969 MB of memory in use. ENERGY: 220600 3984.9550 20417.5578 14405.2451 250.1976 -203659.9889 2579.5646 0.0000 0.0000 52036.1380 -109986.3308 299.0524 -162022.4688 -109624.0742 298.2105 -34.3904 -9.5031 759844.8639 -33.3593 -33.4075 PRESSURE: 220800 -504.416 -39.2439 -168.496 -39.2445 -224.341 -42.5004 -168.496 -42.5006 160.818 GPRESSURE: 220800 -468.709 -15.7155 -176.789 29.1101 -120.302 -55.1433 -174.67 -56.1033 91.4597 PRESSAVG: 220800 -43.6028 -65.337 -14.5095 -65.337 59.0823 38.2288 -14.5094 38.2288 -0.712977 GPRESSAVG: 220800 -43.864 -65.9835 -15.4982 -65.0422 58.5533 38.174 -13.4751 40.4454 -0.171319 TIMING: 220800 CPU: 702.51, 0.00315309/step Wall: 702.51, 0.00315309/step, 4.18591 hours remaining, 231.167969 MB of memory in use. ENERGY: 220800 3989.3149 20290.8201 14457.8394 247.9253 -203056.7968 2357.5227 0.0000 0.0000 51746.0016 -109967.3729 297.3850 -161713.3745 -109610.7219 298.5713 -189.3129 -165.8503 760192.4160 4.9222 4.8393 PRESSURE: 221000 -296.457 48.5586 -46.2649 48.5581 -345.871 9.56471 -46.2647 9.56448 252.588 GPRESSURE: 221000 -291.177 90.404 -86.4377 -109.047 -289.101 -26.0542 -73.8321 25.6868 294.844 PRESSAVG: 221000 -39.7297 -18.7915 -23.8357 -18.7915 14.1866 14.1275 -23.8356 14.1275 -6.04505 GPRESSAVG: 221000 -40.3883 -20.1401 -22.4843 -20.1841 14.3865 15.4424 -24.1384 14.0724 -5.22425 TIMING: 221000 CPU: 703.139, 0.00314358/step Wall: 703.139, 0.00314358/step, 4.17311 hours remaining, 231.167969 MB of memory in use. ENERGY: 221000 4005.1308 20551.0245 14433.2677 256.5260 -203599.0640 2582.8119 0.0000 0.0000 51869.9384 -109900.3647 298.0972 -161770.3030 -109546.3833 298.2791 -129.9134 -95.1446 761125.3721 -10.5294 -10.4087 PRESSURE: 221200 61.1595 -262.869 114.953 -262.869 -79.8971 56.4773 114.955 56.4778 -119.198 GPRESSURE: 221200 43.944 -324.931 231.352 -174.22 -17.7065 76.8051 154.178 58.6478 -75.1466 PRESSAVG: 221200 -0.0260281 -46.6661 -48.8073 -46.6661 -14.8686 42.2189 -48.8072 42.219 5.95613 GPRESSAVG: 221200 -1.05166 -48.3088 -48.4975 -43.5072 -13.1745 42.3226 -47.9062 41.9235 5.85337 TIMING: 221200 CPU: 703.771, 0.00315864/step Wall: 703.771, 0.00315864/step, 4.19292 hours remaining, 231.167969 MB of memory in use. ENERGY: 221200 3955.5665 20486.9293 14513.3342 227.5014 -203668.6064 2619.7808 0.0000 0.0000 51945.1790 -109920.3152 298.5297 -161865.4942 -109569.0395 298.2932 -45.9786 -16.3031 761196.6871 -2.9795 -2.7909 PRESSURE: 221400 78.2157 -174.455 -236.63 -174.455 423.677 -10.188 -236.63 -10.1888 187.475 GPRESSURE: 221400 72.7325 -127.142 -187.392 -89.1423 465.681 -38.4414 -308.687 47.2189 229.021 PRESSAVG: 221400 -59.0357 17.8433 3.9854 17.8433 28.7049 9.73678 3.98538 9.73681 -15.1154 GPRESSAVG: 221400 -59.0539 20.3253 2.2083 16.8084 28.8757 9.24154 2.18154 11.2877 -15.2511 TIMING: 221400 CPU: 704.408, 0.00318451/step Wall: 704.408, 0.00318451/step, 4.22709 hours remaining, 231.167969 MB of memory in use. ENERGY: 221400 3949.6134 20405.9106 14454.6991 256.7571 -203878.2863 2839.4258 0.0000 0.0000 51829.7628 -110142.1175 297.8664 -161971.8803 -109786.2342 298.0409 229.7892 255.8115 759307.1830 -15.1488 -15.1431 PRESSURE: 221600 1.81905 7.57355 53.5555 7.57324 -109.125 61.3798 53.5555 61.3802 249.305 GPRESSURE: 221600 2.86198 128.613 40.8043 78.2727 -67.6264 92.5029 24.2018 -58.4771 309.769 PRESSAVG: 221600 -10.4332 -25.6995 15.9164 -25.6995 28.5411 -14.002 15.9164 -14.0021 -1.40354 GPRESSAVG: 221600 -9.99256 -24.7439 17.7451 -25.2991 28.1638 -13.0457 17.0796 -15.3323 -1.14083 TIMING: 221600 CPU: 705.043, 0.00317511/step Wall: 705.043, 0.00317511/step, 4.21443 hours remaining, 231.167969 MB of memory in use. ENERGY: 221600 3963.0616 20356.4322 14454.1323 241.3289 -203786.8981 2834.0551 0.0000 0.0000 51779.3937 -110158.4943 297.5769 -161937.8880 -109805.9126 297.9148 47.3330 81.6683 760380.7763 5.5681 5.6768 PRESSURE: 221800 -5.08382 38.3727 62.0769 38.3734 46.0006 293.057 62.0765 293.057 290.511 GPRESSURE: 221800 -31.3805 -10.3366 89.6742 9.04638 103.316 321.949 111.929 278.856 314.269 PRESSAVG: 221800 -42.7367 -29.21 27.6394 -29.21 52.1198 83.6984 27.6394 83.6985 5.74938 GPRESSAVG: 221800 -42.822 -30.9065 27.7137 -30.1537 51.8079 83.0744 27.5749 83.8888 5.80718 TIMING: 221800 CPU: 705.67, 0.00313727/step Wall: 705.67, 0.00313727/step, 4.16403 hours remaining, 231.167969 MB of memory in use. ENERGY: 221800 3960.6102 20432.3567 14388.8276 227.3455 -203918.4098 2831.8445 0.0000 0.0000 51788.4543 -110288.9711 297.6290 -162077.4254 -109927.0175 297.6034 110.4759 128.7349 759521.0346 5.0442 4.9310 PRESSURE: 222000 -347.5 -117.178 -22.8103 -117.179 62.6658 -46.2105 -22.8101 -46.2094 13.3256 GPRESSURE: 222000 -299.091 -73.455 -41.0635 -16.7371 93.5127 -133.662 -37.6389 -2.37465 23.5102 PRESSAVG: 222000 -79.1884 -32.5933 -36.2793 -32.5934 60.784 13.1905 -36.2794 13.1905 9.3811 GPRESSAVG: 222000 -79.633 -32.5569 -36.3142 -32.4808 62.2113 11.3356 -35.641 12.6872 8.75008 TIMING: 222000 CPU: 706.299, 0.00314322/step Wall: 706.299, 0.00314322/step, 4.17175 hours remaining, 231.167969 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: 222000 4021.4127 20313.3074 14409.5823 259.9193 -203574.6733 2569.6642 0.0000 0.0000 52051.1373 -109949.6501 299.1386 -162000.7874 -109587.3288 297.8297 -90.5028 -60.6894 759740.2562 -3.0078 -2.8905 PRESSURE: 222200 -246.274 -46.8395 97.0754 -46.8393 -165.457 -124.407 97.0752 -124.407 -464.016 GPRESSURE: 222200 -225.003 -33.1421 29.1668 -98.9116 -123.553 -8.0717 123.558 -70.1743 -422.398 PRESSAVG: 222200 -59.9137 -52.956 29.0287 -52.956 89.1524 37.2441 29.0287 37.244 14.4958 GPRESSAVG: 222200 -58.9703 -53.5231 28.5129 -52.6443 88.2194 37.961 29.0597 37.3242 14.9296 TIMING: 222200 CPU: 706.931, 0.00316083/step Wall: 706.931, 0.00316083/step, 4.19495 hours remaining, 231.167969 MB of memory in use. ENERGY: 222200 3958.5691 20374.7479 14456.9889 251.3505 -203104.8381 2402.0250 0.0000 0.0000 51657.8572 -110003.2996 296.8784 -161661.1568 -109639.8000 298.7603 -291.9157 -256.9845 763161.4398 14.5781 14.7262 PRESSURE: 222400 -75.5661 70.4774 80.3591 70.4771 88.2254 10.8596 80.3594 10.8591 -684.704 GPRESSURE: 222400 -92.5186 89.8709 99.8678 -48.899 98.5872 -82.9153 83.7971 250.169 -610.727 PRESSAVG: 222400 -73.5583 -43.9109 32.2847 -43.9109 16.0291 -4.77901 32.2847 -4.77906 -2.66206 GPRESSAVG: 222400 -73.8074 -42.6112 33.6462 -45.7592 15.6948 -4.56451 30.7264 -3.57094 -2.35592 TIMING: 222400 CPU: 707.564, 0.00316641/step Wall: 707.564, 0.00316641/step, 4.20218 hours remaining, 231.167969 MB of memory in use. ENERGY: 222400 3987.4854 20465.4635 14384.5517 238.3796 -203341.3771 2324.8315 0.0000 0.0000 51883.2776 -110057.3878 298.1739 -161940.6654 -109699.1461 298.1299 -224.0149 -201.5526 761344.2627 -20.0638 -20.1562 PRESSURE: 222600 61.1793 -104.155 -10.3927 -104.155 166.435 146.069 -10.3933 146.069 -314.895 GPRESSURE: 222600 42.6505 -68.8517 5.31437 9.33088 272.52 66.9981 -40.4573 162.274 -323.717 PRESSAVG: 222600 -12.4225 0.0690133 34.6617 0.0689649 37.7298 25.3414 34.6617 25.3414 -3.91961 GPRESSAVG: 222600 -12.0892 -0.532717 34.4147 2.48312 38.3572 25.7612 35.0713 24.7553 -4.82418 TIMING: 222600 CPU: 708.194, 0.00314975/step Wall: 708.194, 0.00314975/step, 4.17989 hours remaining, 231.167969 MB of memory in use. ENERGY: 222600 3893.2027 20430.5286 14447.8264 244.6087 -203831.8652 2732.9424 0.0000 0.0000 52134.1452 -109948.6111 299.6156 -162082.7563 -109596.4258 298.3460 -29.0937 -2.8487 759906.2641 7.1292 7.1479 PRESSURE: 222800 -64.8828 192.633 31.4723 192.634 3.07443 -10.6129 31.4735 -10.6128 -120.23 GPRESSURE: 222800 141.241 158.111 32.0528 142.795 -89.3242 -43.7911 -15.1936 94.0166 -151.391 PRESSAVG: 222800 -19.7511 -48.6685 15.0903 -48.6684 3.20395 -10.5315 15.0903 -10.5315 -22.8959 GPRESSAVG: 222800 -20.4199 -48.9206 15.5402 -51.7493 2.56248 -10.2929 15.7263 -9.58321 -21.3281 TIMING: 222800 CPU: 708.824, 0.00314993/step Wall: 708.824, 0.00314993/step, 4.17995 hours remaining, 231.167969 MB of memory in use. ENERGY: 222800 3958.3719 20466.5063 14423.4634 244.6405 -203104.4111 2483.5695 0.0000 0.0000 51745.6117 -109782.2478 297.3827 -161527.8595 -109441.3425 298.1802 -60.6794 -33.1582 762865.3106 -13.1477 -13.0618 PRESSURE: 223000 90.3074 -154.364 -152.125 -154.365 213.836 -30.824 -152.125 -30.8239 170.063 GPRESSURE: 223000 29.8701 -90.9891 -160.182 -165.11 328.373 -50.2133 -106.397 -90.4587 218.912 PRESSAVG: 223000 -39.4109 -38.6772 57.4868 -38.6772 26.1005 1.95675 57.4868 1.95675 15.0707 GPRESSAVG: 223000 -37.5834 -38.6345 57.4763 -38.6485 25.5241 1.54828 56.3542 -0.15716 13.5646 TIMING: 223000 CPU: 709.454, 0.00314918/step Wall: 709.454, 0.00314918/step, 4.17879 hours remaining, 231.167969 MB of memory in use. ENERGY: 223000 3901.1395 20384.0646 14527.1086 246.0505 -203388.8588 2591.3288 0.0000 0.0000 52049.0278 -109690.1391 299.1265 -161739.1668 -109322.5590 298.4799 158.0689 192.3851 760674.6228 0.5868 0.5018 PRESSURE: 223200 -113.459 -49.611 204.623 -49.6095 -130.045 -20.7688 204.622 -20.7683 122.473 GPRESSURE: 223200 -219.551 -16.8723 366.679 -28.9349 32.9414 -34.3961 87.6263 76.1067 141.598 PRESSAVG: 223200 -8.43851 12.5877 41.4183 12.5876 47.0469 -12.0027 41.4183 -12.0028 12.7965 GPRESSAVG: 223200 -12.019 13.4457 41.5705 15.1819 48.8227 -11.7734 42.9732 -11.53 13.9446 TIMING: 223200 CPU: 710.084, 0.00314884/step Wall: 710.084, 0.00314884/step, 4.17816 hours remaining, 231.167969 MB of memory in use. ENERGY: 223200 3993.1356 20521.1204 14486.1779 246.6759 -203015.4734 2367.7143 0.0000 0.0000 51885.7263 -109514.9230 298.1880 -161400.6493 -109151.7677 298.9269 -40.3438 -15.0040 763208.7136 17.1350 16.9161 PRESSURE: 223400 111.529 -0.324448 25.6234 -0.324617 378.551 106.92 25.6228 106.92 286.242 GPRESSURE: 223400 150.827 -54.0378 -29.7473 61.1423 399.536 90.3968 54.7351 132.187 321.099 PRESSAVG: 223400 -4.37501 -9.05956 33.463 -9.05954 -15.5243 -10.2856 33.463 -10.2857 -20.5269 GPRESSAVG: 223400 -3.37841 -9.75328 30.6525 -10.0493 -16.4646 -11.1548 31.7584 -9.7467 -21.0592 TIMING: 223400 CPU: 710.715, 0.00315512/step Wall: 710.715, 0.00315512/step, 4.18632 hours remaining, 231.167969 MB of memory in use. ENERGY: 223400 3941.0722 20378.4492 14384.1872 255.6398 -203152.8251 2537.7512 0.0000 0.0000 52191.9708 -109463.7547 299.9480 -161655.7255 -109090.5025 299.1820 258.7741 290.4874 762294.8764 -13.4754 -13.6341 PRESSURE: 223600 -63.3443 -107.203 308.637 -107.203 -253.341 -256.827 308.636 -256.826 289.669 GPRESSURE: 223600 -123.628 -110.158 177.6 -240.397 -108.964 -163.836 330.255 -162.788 285.333 PRESSAVG: 223600 52.6892 -18.1179 73.7511 -18.1179 -16.2146 2.35035 73.7511 2.35022 -3.23531 GPRESSAVG: 223600 51.5828 -18.8415 76.056 -17.3346 -15.0702 4.17104 74.792 3.15096 -3.09221 TIMING: 223600 CPU: 711.352, 0.00318465/step Wall: 711.352, 0.00318465/step, 4.22533 hours remaining, 231.167969 MB of memory in use. ENERGY: 223600 3971.7075 20641.9573 14398.2003 245.8789 -202917.3175 2113.8818 0.0000 0.0000 52140.8674 -109404.8244 299.6543 -161545.6918 -109042.7086 299.8006 -9.0052 17.5804 760971.3857 11.0797 11.1401 PRESSURE: 223800 -286.926 -51.8825 46.9901 -51.8824 -120.552 147.887 46.9907 147.887 -162.103 GPRESSURE: 223800 -162.708 49.2569 55.5907 -111.701 -110.682 184.617 67.028 273.485 -206.88 PRESSAVG: 223800 0.621675 -88.8784 46.196 -88.8785 -14.032 59.8611 46.196 59.861 10.4006 GPRESSAVG: 223800 3.00669 -89.056 46.9194 -88.1005 -15.9403 58.8039 45.501 59.8255 10.2425 TIMING: 223800 CPU: 711.982, 0.00315205/step Wall: 711.982, 0.00315205/step, 4.1819 hours remaining, 231.167969 MB of memory in use. ENERGY: 223800 3979.9353 20540.1264 14382.9930 240.7339 -203469.7910 2567.6868 0.0000 0.0000 52190.9016 -109567.4140 299.9418 -161758.3156 -109205.1976 299.6522 -189.8602 -160.0900 760811.6819 -1.0032 -0.8970 PRESSURE: 224000 -430.288 -52.5386 -113.553 -52.5382 -327.618 82.6457 -113.553 82.647 -464.765 GPRESSURE: 224000 -337.728 -69.3445 -97.1517 -144.99 -343.757 72.028 10.8787 110.326 -454.095 PRESSAVG: 224000 -16.9273 -62.0548 -34.585 -62.0548 52.4617 57.8587 -34.585 57.8587 7.17759 GPRESSAVG: 224000 -17.891 -61.5389 -35.1966 -62.4497 53.2672 59.2779 -34.3398 57.3342 8.03574 TIMING: 224000 CPU: 712.615, 0.00316267/step Wall: 712.615, 0.00316267/step, 4.19581 hours remaining, 231.167969 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: 224000 3958.4902 20440.3102 14438.7214 245.9375 -202869.5460 2083.1050 0.0000 0.0000 52086.4708 -109616.5109 299.3417 -161702.9817 -109246.1340 299.4225 -407.5572 -378.5266 760356.9693 14.2373 14.4706 PRESSURE: 224200 -278.004 -155.656 117.835 -155.656 -102.511 206.427 117.836 206.427 186.437 GPRESSURE: 224200 -286.346 -321.583 153.404 -71.6612 13.3686 257.141 271.843 155.448 147.172 PRESSAVG: 224200 32.2014 -57.6905 -7.73009 -57.6905 7.96937 17.6421 -7.73006 17.6421 24.3673 GPRESSAVG: 224200 31.5159 -58.4905 -8.25941 -58.707 8.9313 15.8029 -6.55628 17.1093 24.3392 TIMING: 224200 CPU: 713.244, 0.00314437/step Wall: 713.244, 0.00314437/step, 4.17136 hours remaining, 231.167969 MB of memory in use. ENERGY: 224200 3960.7996 20687.9563 14369.4979 244.4108 -203154.9409 2084.2915 0.0000 0.0000 52076.8320 -109731.1527 299.2863 -161807.9847 -109369.5438 299.1842 -64.6930 -41.9353 758273.6229 21.5127 21.5955 LDB: ============= START OF LOAD BALANCING ============== 725.664 LDB: ============== END OF LOAD BALANCING =============== 725.664 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 725.666 LDB: ============= START OF LOAD BALANCING ============== 725.983 LDB: Largest compute 7075 load 0.033423 is 17.2% of average load 0.194747 LDB: Average compute 0.004393 is 2.3% of average load 0.194747 LDB: TIME 725.986 LOAD: AVG 0.194747 MAX 0.213114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.258 MB LDB: TIME 725.987 LOAD: AVG 0.194747 MAX 0.213114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.355 MB LDB: TIME 725.987 LOAD: AVG 0.194747 MAX 0.213114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.355 MB LDB: ============== END OF LOAD BALANCING =============== 725.989 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 725.995 PRESSURE: 224400 -343.328 -114.471 -15.0491 -114.471 -197.75 64.2457 -15.0499 64.2455 -314.849 GPRESSURE: 224400 -215.056 -219.596 42.5754 -59.9703 -204.021 5.2572 49.5558 -20.1002 -343.067 PRESSAVG: 224400 -17.2617 -12.9161 -1.70464 -12.916 -41.4159 42.6135 -1.70457 42.6134 -11.112 GPRESSAVG: 224400 -15.1136 -11.6344 -1.56971 -12.1135 -42.3801 42.7907 -1.94564 41.8199 -11.8507 TIMING: 224400 CPU: 713.888, 0.00322361/step Wall: 713.888, 0.00322361/step, 4.2763 hours remaining, 229.945312 MB of memory in use. ENERGY: 224400 4080.5952 20462.3904 14392.5223 263.9103 -203129.4005 2385.0509 0.0000 0.0000 51907.1404 -109637.7911 298.3110 -161544.9315 -109279.1183 299.1975 -285.3089 -254.0480 759433.8872 -23.2632 -23.1148 PRESSURE: 224600 -33.9069 -0.00803769 148.993 -0.00903477 -214.733 21.3032 148.993 21.3014 -38.8858 GPRESSURE: 224600 -123.495 33.9198 205.061 -29.0238 -82.0425 10.0513 187.481 -165.552 14.4094 PRESSAVG: 224600 -20.0366 -21.3866 39.276 -21.3866 6.12566 -30.0281 39.276 -30.0281 6.04311 GPRESSAVG: 224600 -21.0154 -22.7503 39.3986 -21.7523 7.83242 -28.7622 38.7326 -29.428 5.91285 TIMING: 224600 CPU: 714.518, 0.003147/step Wall: 714.518, 0.003147/step, 4.1745 hours remaining, 229.945312 MB of memory in use. ENERGY: 224600 4091.1507 20339.9790 14533.7199 226.9103 -203126.2331 2313.1705 0.0000 0.0000 51974.3492 -109646.9535 298.6973 -161621.3027 -109289.4490 298.6562 -95.8418 -63.7093 759447.4707 -2.6226 -2.4234 PRESSURE: 224800 36.3895 115.704 431.777 115.704 1.61178 108.055 431.776 108.055 367.158 GPRESSURE: 224800 11.9368 146.834 407.44 42.4012 32.3217 77.919 431.717 -29.1065 423.434 PRESSAVG: 224800 26.3147 -37.913 -12.6245 -37.9131 -37.4733 20.6883 -12.6244 20.6883 -0.729937 GPRESSAVG: 224800 27.2564 -36.3735 -12.1597 -39.3816 -38.3709 19.6374 -11.2392 18.8185 -1.19482 TIMING: 224800 CPU: 715.147, 0.00314569/step Wall: 715.147, 0.00314568/step, 4.17257 hours remaining, 229.945312 MB of memory in use. ENERGY: 224800 3950.3765 20558.0303 14429.8987 263.4590 -203150.1161 2327.0253 0.0000 0.0000 52224.4000 -109396.9263 300.1343 -161621.3263 -109040.1427 299.0669 135.0532 155.8974 760209.1285 -3.9628 -4.1031 PRESSURE: 225000 0.0963205 28.4277 2.24118 28.4273 115.239 19.9625 2.24006 19.9617 155.765 GPRESSURE: 225000 -17.5297 16.9602 -86.5646 11.0383 186.822 10.2604 41.9367 212.527 198.475 PRESSAVG: 225000 2.80315 -46.9403 19.2542 -46.9403 -5.11774 37.3251 19.2543 37.3251 -19.6489 GPRESSAVG: 225000 1.184 -48.2762 18.2542 -45.4559 -4.18921 39.2897 18.3989 39.4012 -19.189 TIMING: 225000 CPU: 715.777, 0.00315057/step Wall: 715.777, 0.00315057/step, 4.17888 hours remaining, 229.945312 MB of memory in use. ENERGY: 225000 3965.9770 20609.3327 14404.9928 260.0011 -203143.1787 2497.6039 0.0000 0.0000 51839.1480 -109566.1230 297.9203 -161405.2711 -109207.3585 298.8574 90.3668 122.5891 762131.0425 -7.3212 -7.3981 PRESSURE: 225200 311.98 -150.09 -150.205 -150.091 196.711 42.6012 -150.205 42.6009 53.2114 GPRESSURE: 225200 315.091 -105.699 25.6657 -147.966 202.871 14.6263 -239.358 -97.224 133.348 PRESSAVG: 225200 55.6394 -82.8087 22.2257 -82.8087 -41.4425 32.8868 22.2256 32.8868 -8.46484 GPRESSAVG: 225200 56.9666 -81.8097 24.0684 -84.0212 -41.7466 31.3134 20.1236 31.5532 -9.11774 TIMING: 225200 CPU: 716.409, 0.00315716/step Wall: 716.409, 0.00315716/step, 4.18745 hours remaining, 229.945312 MB of memory in use. ENERGY: 225200 4054.5780 20501.5277 14425.5888 251.8614 -203559.0899 2502.9531 0.0000 0.0000 52516.3141 -109306.2667 301.8120 -161822.5808 -108944.5066 299.5265 187.3009 217.1034 760017.0638 1.9107 2.0341 PRESSURE: 225400 -513.236 136.824 99.4298 136.825 32.1623 189.524 99.4302 189.523 122.925 GPRESSURE: 225400 -383.462 235.888 158.896 84.1782 16.065 170.03 59.7235 229.557 104.231 PRESSAVG: 225400 -24.489 -35.9714 4.9903 -35.9714 -0.259483 39.4786 4.99027 39.4786 1.2403 GPRESSAVG: 225400 -24.1962 -37.3461 3.13067 -33.3493 -1.24928 38.5949 5.95952 41.3329 1.85677 TIMING: 225400 CPU: 717.038, 0.00314815/step Wall: 717.038, 0.00314815/step, 4.17532 hours remaining, 229.945312 MB of memory in use. ENERGY: 225400 4033.0413 20582.8265 14457.3128 241.2516 -203628.2462 2726.6291 0.0000 0.0000 52297.1380 -109290.0469 300.5524 -161587.1849 -108935.4549 299.7735 -119.3829 -87.7218 763552.8849 -7.8361 -7.8629 PRESSURE: 225600 67.0179 -144.865 -39.3085 -144.864 250.706 -165.07 -39.3087 -165.069 -72.3412 GPRESSURE: 225600 72.0878 -174.14 -78.7959 -241.731 309.605 -191.853 14.4108 -84.4169 -42.8835 PRESSAVG: 225600 10.1399 18.6367 -8.64148 18.6367 -51.8058 15.5848 -8.64147 15.5847 -0.79954 GPRESSAVG: 225600 8.66127 19.8655 -8.66666 17.1221 -51.7218 17.2955 -7.55702 12.0549 0.192926 TIMING: 225600 CPU: 717.666, 0.00314075/step Wall: 717.666, 0.00314075/step, 4.16534 hours remaining, 229.945312 MB of memory in use. ENERGY: 225600 3963.6411 20516.8898 14389.4929 253.1798 -203337.9787 2822.7644 0.0000 0.0000 52081.9105 -109310.1003 299.3155 -161392.0108 -108946.8473 299.7778 81.7944 112.9365 762845.9792 -14.1551 -14.2892 PRESSURE: 225800 102.837 -255.941 335.493 -255.941 -77.2838 -204.349 335.493 -204.35 320.749 GPRESSURE: 225800 182.619 -242.477 359.202 -292.787 -44.0415 -138.691 216.78 -241.48 298.333 PRESSAVG: 225800 13.1997 -10.8222 -9.45022 -10.8222 1.54464 52.2571 -9.45017 52.2571 -6.4547 GPRESSAVG: 225800 14.5243 -10.9617 -9.37006 -11.3453 1.78707 50.2045 -9.27212 54.6749 -8.14517 TIMING: 225800 CPU: 718.302, 0.00317608/step Wall: 718.302, 0.00317608/step, 4.21201 hours remaining, 229.945312 MB of memory in use. ENERGY: 225800 3939.1415 20511.0490 14490.5931 240.9668 -203800.4572 2792.9642 0.0000 0.0000 52194.1729 -109631.5697 299.9606 -161825.7427 -109261.4446 299.0581 115.4338 145.6371 760860.7390 2.7632 2.7221 PRESSURE: 226000 188.274 -241.698 -119.589 -241.697 57.165 -22.2592 -119.588 -22.2593 -323.057 GPRESSURE: 226000 167.118 -103.773 -111.295 -228.048 98.3285 25.9408 -110.458 -126.819 -271.577 PRESSAVG: 226000 54.9539 -4.11334 4.00934 -4.11334 -42.5739 -1.00264 4.00931 -1.00263 11.4905 GPRESSAVG: 226000 54.5666 -4.69882 4.77994 -1.83986 -41.9829 0.506432 2.27599 -0.539049 11.2208 TIMING: 226000 CPU: 718.935, 0.00316587/step Wall: 718.935, 0.00316587/step, 4.1983 hours remaining, 229.945312 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: 226000 4031.8879 20432.5807 14494.6534 245.7118 -203231.1432 2503.1777 0.0000 0.0000 51896.7895 -109626.3423 298.2516 -161523.1318 -109265.0290 298.9737 -25.8729 -2.0437 762811.0404 7.9568 7.9349 PRESSURE: 226200 227.296 108.19 214.093 108.189 -93.4388 20.5155 214.094 20.5149 -158.844 GPRESSURE: 226200 295.919 99.6142 291.076 75.3659 -74.7581 -63.4855 40.9245 39.0837 -165.701 PRESSAVG: 226200 24.9003 -54.5022 -10.2133 -54.5022 1.01224 34.66 -10.2133 34.6602 7.88933 GPRESSAVG: 226200 24.8882 -53.152 -10.4823 -54.3984 0.571697 32.989 -11.1628 35.4528 8.65261 TIMING: 226200 CPU: 719.565, 0.00315379/step Wall: 719.565, 0.00315379/step, 4.1821 hours remaining, 229.945312 MB of memory in use. ENERGY: 226200 4038.2386 20274.8556 14514.2962 256.2560 -203187.4554 2460.1976 0.0000 0.0000 51759.9400 -109883.6714 297.4651 -161643.6115 -109528.2146 298.2082 -8.3290 18.4867 760456.5391 11.2673 11.3708 PRESSURE: 226400 -167.603 -14.5679 -39.1952 -14.5677 -216.57 -44.0296 -39.1959 -44.0302 -93.7578 GPRESSURE: 226400 -148.375 31.4462 -96.3436 -23.1395 -134.743 34.096 -34.7622 -45.5347 -107.423 PRESSAVG: 226400 21.989 -33.7126 34.6454 -33.7126 -55.5167 25.6706 34.6454 25.6706 -18.8844 GPRESSAVG: 226400 22.4021 -34.3242 34.4637 -35.1884 -55.7304 26.837 37.0878 24.005 -19.1215 TIMING: 226400 CPU: 720.202, 0.00318157/step Wall: 720.202, 0.00318157/step, 4.21877 hours remaining, 229.945312 MB of memory in use. ENERGY: 226400 4008.8465 20450.1391 14474.9978 248.1063 -202990.9211 2156.6554 0.0000 0.0000 51745.0221 -109907.1539 297.3794 -161652.1759 -109543.6051 298.3631 -159.3101 -130.1803 761388.9905 -17.4707 -17.4833 PRESSURE: 226600 -102.71 114.595 -54.9424 114.594 119.46 138.373 -54.9427 138.372 370.738 GPRESSURE: 226600 33.5971 -58.8197 -123.384 67.1842 64.5655 102.637 51.017 171.631 390.509 PRESSAVG: 226600 25.7402 -1.57345 7.54931 -1.5735 -64.5791 30.5985 7.54929 30.5984 -3.34798 GPRESSAVG: 226600 25.102 -4.76635 6.82972 -0.234219 -64.5168 31.2011 8.0756 32.7252 -2.58209 TIMING: 226600 CPU: 720.836, 0.003169/step Wall: 720.836, 0.003169/step, 4.20191 hours remaining, 229.945312 MB of memory in use. ENERGY: 226600 3968.5857 20413.5357 14427.5793 231.6874 -203386.0971 2577.7476 0.0000 0.0000 52134.9765 -109631.9850 299.6204 -161766.9615 -109259.0345 298.3353 129.1627 162.8906 758846.4578 -14.0623 -13.9990 PRESSURE: 226800 -84.4339 -27.0423 53.3442 -27.0427 192.277 -28.8727 53.3439 -28.872 174.311 GPRESSURE: 226800 -31.491 -112.204 137.033 49.9769 167.599 -35.6913 -26.9452 -149.747 224.864 PRESSAVG: 226800 -56.4942 -34.8901 -12.3026 -34.8901 83.5555 27.3992 -12.3026 27.3993 -20.8139 GPRESSAVG: 226800 -57.1501 -31.9449 -11.9381 -37.2183 82.985 26.6627 -13.561 24.4751 -19.824 TIMING: 226800 CPU: 721.467, 0.0031591/step Wall: 721.467, 0.0031591/step, 4.18862 hours remaining, 229.945312 MB of memory in use. ENERGY: 226800 3955.2296 20501.0024 14522.4827 254.3271 -203152.6666 2294.1377 0.0000 0.0000 52141.0379 -109484.4492 299.6553 -161625.4871 -109101.5564 298.9871 94.0514 120.3243 759912.1961 2.0825 2.0036 PRESSURE: 227000 -454.589 -251.64 35.8792 -251.64 -506.121 -59.494 35.8797 -59.4927 -100.799 GPRESSURE: 227000 -414.361 -174.459 76.5628 -292.424 -462.704 -109.444 -123.923 -30.382 -85.4307 PRESSAVG: 227000 -25.0658 -52.9968 -4.69318 -52.9967 3.15989 -13.5964 -4.69319 -13.5963 -14.6059 GPRESSAVG: 227000 -24.8496 -53.3531 -3.59113 -48.9158 3.66934 -14.0385 -4.51348 -13.0794 -16.2841 TIMING: 227000 CPU: 722.102, 0.00317494/step Wall: 722.102, 0.00317494/step, 4.20945 hours remaining, 229.945312 MB of memory in use. ENERGY: 227000 3943.8496 20579.8010 14515.8260 239.7028 -202983.7982 2204.3454 0.0000 0.0000 51860.3757 -109639.8979 298.0423 -161500.2736 -109281.9338 298.6925 -353.8360 -320.8320 761588.8339 -12.1706 -12.4881 PRESSURE: 227200 3.7693 -110.23 -23.5904 -110.229 121.646 137.619 -23.5901 137.619 37.8053 GPRESSURE: 227200 77.2899 -113.961 -39.4437 -184.514 176.703 166.177 -75.6243 159.725 6.53715 PRESSAVG: 227200 11.9067 -28.165 21.6283 -28.165 2.46697 27.2977 21.6283 27.2977 -16.3905 GPRESSAVG: 227200 12.3754 -29.9269 21.813 -30.9292 1.90918 28.2854 20.8893 27.4782 -16.096 TIMING: 227200 CPU: 722.735, 0.00316244/step Wall: 722.735, 0.00316244/step, 4.1927 hours remaining, 229.945312 MB of memory in use. ENERGY: 227200 4012.2076 20371.9953 14481.6851 242.9906 -203524.5429 2613.8151 0.0000 0.0000 52195.2307 -109606.6185 299.9667 -161801.8492 -109241.9810 299.1216 54.4068 86.8434 760978.2692 -0.6723 -0.6038 PRESSURE: 227400 -66.6703 -18.4643 -62.3625 -18.4645 -13.5744 -97.6207 -62.362 -97.6213 55.7824 GPRESSURE: 227400 -83.3905 -39.942 -70.847 25.2826 67.2479 -106.267 21.3536 -151.224 84.6005 PRESSAVG: 227400 3.07436 -49.8794 10.8795 -49.8793 -3.9179 7.10111 10.8794 7.10111 -4.28718 GPRESSAVG: 227400 3.65866 -48.447 9.71649 -47.4347 -2.94248 6.96433 14.0302 8.76484 -5.35962 TIMING: 227400 CPU: 723.365, 0.00314904/step Wall: 723.365, 0.00314904/step, 4.17475 hours remaining, 229.945312 MB of memory in use. ENERGY: 227400 4016.2313 20388.4145 14518.7015 255.8154 -202971.6774 2294.8283 0.0000 0.0000 51924.6345 -109573.0520 298.4116 -161497.6865 -109218.0711 298.7235 -8.1541 22.8193 761359.0239 -1.7102 -1.5478 PRESSURE: 227600 -315.161 -58.7765 172.355 -58.7765 -385.356 154.337 172.354 154.337 -150.871 GPRESSURE: 227600 -276.827 5.87718 119.196 -37.0784 -434.908 177.685 103.809 224.145 -66.9642 PRESSAVG: 227600 46.4838 -64.0725 36.3131 -64.0725 10.7046 47.6488 36.3131 47.6487 2.13754 GPRESSAVG: 227600 46.8544 -64.0623 36.2489 -65.1025 8.57951 48.5012 34.1403 47.3156 3.36799 TIMING: 227600 CPU: 723.993, 0.00314304/step Wall: 723.993, 0.00314304/step, 4.16663 hours remaining, 229.945312 MB of memory in use. ENERGY: 227600 4074.5990 20446.1335 14527.6593 258.0829 -202815.9629 2234.2440 0.0000 0.0000 51912.2150 -109363.0292 298.3402 -161275.2443 -109009.0821 298.9867 -283.7957 -259.5665 761425.8157 19.7753 19.6006 PRESSURE: 227800 -24.9546 140.517 347.791 140.517 -421.98 -23.8176 347.791 -23.8191 32.5195 GPRESSURE: 227800 -43.1826 32.8136 281.604 82.2565 -360.76 -114.14 357.161 -74.1332 68.342 PRESSAVG: 227800 12.0481 -41.0873 -1.10246 -41.0874 -57.3427 -0.365599 -1.10248 -0.365612 9.73774 GPRESSAVG: 227800 9.33654 -41.3263 1.1466 -42.9518 -55.4619 -0.192492 -2.27345 -1.46423 10.0684 TIMING: 227800 CPU: 724.625, 0.00315706/step Wall: 724.625, 0.00315706/step, 4.18503 hours remaining, 229.945312 MB of memory in use. ENERGY: 227800 3972.4026 20654.6668 14455.6927 237.6650 -203084.3345 2324.5852 0.0000 0.0000 52011.4370 -109427.8853 298.9104 -161439.3223 -109063.1511 299.6155 -138.1384 -111.8668 762670.5198 -11.8523 -12.0190 PRESSURE: 228000 -221.812 200.021 -208.572 200.021 83.7567 173.81 -208.572 173.811 262.044 GPRESSURE: 228000 -111.418 199.552 -230.105 60.3463 90.881 228.55 -62.1753 152.978 230.528 PRESSAVG: 228000 60.2935 -56.8206 -23.4972 -56.8206 -59.8908 36.4958 -23.4972 36.4957 27.5685 GPRESSAVG: 228000 61.1192 -57.0802 -25.6675 -55.6861 -61.2026 34.0854 -22.3521 37.9575 27.9507 TIMING: 228000 CPU: 725.261, 0.00318153/step Wall: 725.261, 0.00318153/step, 4.21729 hours remaining, 229.945312 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: 228000 4028.0237 20517.8946 14488.8018 246.3099 -203574.4168 2859.3884 0.0000 0.0000 51856.3515 -109577.6469 298.0192 -161433.9984 -109217.9150 299.2815 41.3296 69.9970 760981.5741 9.3237 9.2891 PRESSURE: 228200 -190.709 -8.19984 -11.2411 -8.20076 87.7036 108.608 -11.2422 108.607 -37.166 GPRESSURE: 228200 -35.535 -33.7649 -2.49252 14.5369 36.7455 104.759 12.0395 19.0916 -35.1127 PRESSAVG: 228200 23.5502 -83.2613 -31.8441 -83.2613 -11.9835 7.5633 -31.8441 7.56335 -9.79196 GPRESSAVG: 228200 26.0562 -82.9912 -30.4333 -82.5929 -11.0999 8.45532 -32.7429 8.34932 -13.2268 TIMING: 228200 CPU: 725.891, 0.00314774/step Wall: 725.891, 0.00314774/step, 4.17233 hours remaining, 229.945312 MB of memory in use. ENERGY: 228200 4043.6284 20581.9498 14503.0483 257.5813 -203363.8270 2517.7364 0.0000 0.0000 51968.4924 -109491.3904 298.6636 -161459.8828 -109127.2661 299.3575 -46.7238 -11.3007 762653.0712 0.5916 0.5765 LDB: ============= START OF LOAD BALANCING ============== 738.312 LDB: ============== END OF LOAD BALANCING =============== 738.312 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 738.314 LDB: ============= START OF LOAD BALANCING ============== 738.631 LDB: Largest compute 7074 load 0.035629 is 18.3% of average load 0.194826 LDB: Average compute 0.004417 is 2.3% of average load 0.194826 LDB: TIME 738.634 LOAD: AVG 0.194826 MAX 0.213645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.004 MB LDB: TIME 738.635 LOAD: AVG 0.194826 MAX 0.213645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.004 MB LDB: TIME 738.635 LOAD: AVG 0.194826 MAX 0.213645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.004 MB LDB: ============== END OF LOAD BALANCING =============== 738.637 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 738.642 PRESSURE: 228400 39.4532 111.783 28.588 111.783 99.3592 -42.1873 28.5875 -42.1874 419.214 GPRESSURE: 228400 145.362 19.8514 84.844 75.7815 98.7901 11.8306 -106.591 -21.6426 401.335 PRESSAVG: 228400 51.9736 -43.3041 4.14951 -43.3042 -52.6162 43.3993 4.14956 43.3994 -28.3971 GPRESSAVG: 228400 50.8707 -45.9663 2.51419 -43.424 -53.8761 43.9794 5.09468 42.1413 -25.9562 TIMING: 228400 CPU: 726.535, 0.00322481/step Wall: 726.535, 0.00322481/step, 4.2743 hours remaining, 231.871094 MB of memory in use. ENERGY: 228400 3904.1614 20560.7185 14524.0930 272.4761 -203477.0853 2540.4810 0.0000 0.0000 52167.1398 -109508.0157 299.8053 -161675.1554 -109146.1748 298.9651 186.0088 215.1625 760959.7460 -9.6799 -9.6539 PRESSURE: 228600 16.1793 -70.4874 -72.4588 -70.4865 24.5146 44.3099 -72.4595 44.3103 -197.504 GPRESSURE: 228600 29.5416 -67.2102 -35.131 -117.891 56.9263 -3.56756 96.0905 -70.2595 -144.268 PRESSAVG: 228600 -37.9401 -59.3334 -10.1483 -59.3334 26.6093 24.5648 -10.1483 24.5648 10.1567 GPRESSAVG: 228600 -38.2487 -55.9345 -8.91597 -60.7061 26.6127 23.4357 -10.7275 24.2961 10.2086 TIMING: 228600 CPU: 727.165, 0.0031479/step Wall: 727.165, 0.00314789/step, 4.17218 hours remaining, 232.281250 MB of memory in use. ENERGY: 228600 4071.0840 20507.6843 14511.8584 262.0943 -203060.3374 2430.4760 0.0000 0.0000 51947.9287 -109329.2117 298.5455 -161277.1404 -108969.1010 299.6079 -52.2701 -19.2666 761646.5038 -0.3914 -0.4758 PRESSURE: 228800 -260.791 -190.003 -39.6789 -190.003 91.0229 -144.336 -39.679 -144.336 21.3508 GPRESSURE: 228800 -258.858 -96.9912 -99.3343 -143.704 143.496 -142.454 -43.3451 -202.841 29.4503 PRESSAVG: 228800 30.7831 -63.5388 -17.5727 -63.5388 -17.1703 -4.48703 -17.5727 -4.48695 -20.8312 GPRESSAVG: 228800 31.0221 -66.192 -18.8578 -59.8485 -17.234 -2.85351 -17.125 -5.69766 -21.1907 TIMING: 228800 CPU: 727.794, 0.00314346/step Wall: 727.794, 0.00314346/step, 4.16613 hours remaining, 232.281250 MB of memory in use. ENERGY: 228800 3972.2775 20597.7324 14493.4579 248.2869 -203400.4780 2691.1674 0.0000 0.0000 51956.3376 -109441.2183 298.5938 -161397.5559 -109074.0529 299.5631 -49.4724 -28.6375 761672.5074 -2.4061 -2.4675 PRESSURE: 229000 -222.522 38.1724 -226.656 38.1722 397.424 180.036 -226.656 180.037 197.028 GPRESSURE: 229000 -95.5612 -12.1099 -166.573 -13.5322 356.981 265.404 -259.43 130.511 188.667 PRESSAVG: 229000 -22.432 -65.7589 -79.7991 -65.7589 32.411 13.7168 -79.799 13.7167 4.74263 GPRESSAVG: 229000 -21.8398 -65.577 -79.0966 -68.0338 32.8002 12.8586 -79.3747 16.1804 3.93016 TIMING: 229000 CPU: 728.425, 0.00315389/step Wall: 728.425, 0.00315389/step, 4.17978 hours remaining, 232.281250 MB of memory in use. ENERGY: 229000 3933.1579 20634.0568 14520.4461 263.4001 -203683.9701 2557.2497 0.0000 0.0000 52142.0549 -109633.6046 299.6611 -161775.6595 -109269.5675 299.2039 123.9766 150.0287 761383.0810 4.9072 4.9635 PRESSURE: 229200 -114.074 -42.7606 -229.939 -42.7605 35.5726 21.7396 -229.939 21.7401 274.706 GPRESSURE: 229200 -72.8752 -100.733 -268.756 -15.9501 113.596 1.19322 -147.857 112.397 244.207 PRESSAVG: 229200 -25.2169 -40.5624 -33.2044 -40.5623 5.88548 22.396 -33.2044 22.396 5.83737 GPRESSAVG: 229200 -26.6118 -38.5909 -34.905 -40.537 5.33715 22.5237 -33.7836 20.5049 7.75194 TIMING: 229200 CPU: 729.055, 0.0031532/step Wall: 729.055, 0.0031532/step, 4.1787 hours remaining, 232.281250 MB of memory in use. ENERGY: 229200 3949.5241 20604.9439 14512.3787 226.6356 -203593.7273 2539.3385 0.0000 0.0000 52153.9668 -109606.9398 299.7296 -161760.9066 -109245.2612 299.3930 65.4014 94.9759 759330.1132 -4.4980 -4.5076 PRESSURE: 229400 -126.078 -259.225 55.6422 -259.225 -125.44 -191.728 55.6416 -191.729 225.548 GPRESSURE: 229400 -98.9243 -331.666 139.654 -94.4122 -50.8154 -196.674 149.383 -174.374 219.07 PRESSAVG: 229400 11.2462 -48.9883 15.5344 -48.9883 -3.16687 20.0232 15.5344 20.0231 18.0812 GPRESSAVG: 229400 12.4201 -47.6999 15.6001 -50.4376 -3.52408 20.525 18.1022 20.7828 17.9929 TIMING: 229400 CPU: 729.681, 0.00312892/step Wall: 729.681, 0.00312892/step, 4.14634 hours remaining, 232.281250 MB of memory in use. ENERGY: 229400 3933.5920 20572.1795 14520.8361 237.7051 -203354.8885 2647.3811 0.0000 0.0000 51892.4009 -109550.7938 298.2263 -161443.1947 -109194.4627 299.1677 -8.6566 23.1101 761111.1720 8.7202 8.9630 PRESSURE: 229600 -106.613 -51.7978 21.1655 -51.7985 -182.637 -70.1468 21.1654 -70.1456 -20.4634 GPRESSURE: 229600 2.41076 -94.1635 53.9433 -4.48696 -192.46 -49.7325 8.96696 -90.7818 -29.2801 PRESSAVG: 229600 -45.8043 -29.4986 -29.9399 -29.4986 -12.2534 42.3945 -29.9399 42.3946 0.24706 GPRESSAVG: 229600 -46.1884 -30.0731 -28.6234 -29.8103 -10.7319 42.0153 -31.0798 42.8868 -1.22505 TIMING: 229600 CPU: 730.306, 0.00312508/step Wall: 730.306, 0.00312508/step, 4.14108 hours remaining, 232.281250 MB of memory in use. ENERGY: 229600 3902.0094 20473.6896 14435.0532 255.6026 -203534.7740 2460.5580 0.0000 0.0000 52361.0213 -109646.8399 300.9195 -162007.8612 -109279.8060 298.8104 -103.2375 -73.1097 759775.8263 -19.2702 -19.3818 PRESSURE: 229800 58.0845 -299.776 -55.419 -299.776 -110.023 325.546 -55.4188 325.546 23.3972 GPRESSURE: 229800 162.972 -234.815 9.04561 -350.934 -165.304 329.514 -29.6177 250.675 60.2745 PRESSAVG: 229800 4.64749 -104.012 14.9369 -104.012 13.7439 9.8474 14.9369 9.84747 5.93999 GPRESSAVG: 229800 4.87232 -105.064 13.8224 -103.09 12.7941 8.30751 14.266 10.5451 6.82322 TIMING: 229800 CPU: 730.935, 0.00314628/step Wall: 730.935, 0.00314628/step, 4.16899 hours remaining, 232.281250 MB of memory in use. ENERGY: 229800 4031.8972 20582.0124 14479.7948 248.6121 -203701.4815 2697.0094 0.0000 0.0000 51903.3443 -109758.8115 298.2892 -161662.1558 -109406.6346 298.9530 -9.5139 19.3142 760175.0544 8.1104 8.1632 PRESSURE: 230000 -22.0085 -25.5809 241.18 -25.58 55.631 -153.614 241.18 -153.614 -473.62 GPRESSURE: 230000 -8.65648 -184.673 272.952 -108.831 55.4992 -183.486 157.949 177.443 -396.638 PRESSAVG: 230000 27.8522 -116.46 25.88 -116.46 13.5393 43.0401 25.88 43.0401 13.1415 GPRESSAVG: 230000 28.5699 -117.069 27.33 -114.731 13.0216 45.1324 26.3734 43.6255 13.0242 TIMING: 230000 CPU: 731.564, 0.00314502/step Wall: 731.564, 0.00314502/step, 4.16715 hours remaining, 232.281250 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: 230000 4046.1981 20474.2602 14520.3073 249.9002 -203514.1977 2548.7336 0.0000 0.0000 52086.9374 -109587.8610 299.3443 -161674.7983 -109231.4548 298.9826 -146.6658 -116.5983 761577.7433 18.1777 18.2052 PRESSURE: 230200 182.963 -102.217 -110.738 -102.217 -15.8634 195.057 -110.738 195.057 -169.236 GPRESSURE: 230200 171.886 -138.809 -73.3338 63.1283 26.2889 208.973 -123.637 -26.9973 -130.905 PRESSAVG: 230200 52.9017 -38.319 12.7469 -38.319 -44.82 -19.9891 12.7468 -19.9891 12.647 GPRESSAVG: 230200 52.061 -37.0143 14.2675 -38.7587 -43.9511 -22.0956 11.1444 -22.6364 12.8041 TIMING: 230200 CPU: 732.194, 0.00314845/step Wall: 732.194, 0.00314845/step, 4.17152 hours remaining, 232.281250 MB of memory in use. ENERGY: 230200 3992.5020 20541.2008 14472.0361 258.1308 -203473.7641 2757.4228 0.0000 0.0000 51888.7902 -109563.6814 298.2056 -161452.4716 -109215.3548 298.8620 -0.7119 22.4231 761124.0563 6.9096 6.9714 PRESSURE: 230400 142.906 -128.936 31.4135 -128.936 -60.4348 233.828 31.4137 233.828 -150.713 GPRESSURE: 230400 225.824 -135.23 52.0796 -80.2301 -51.3364 143.636 107.438 231.105 -162.01 PRESSAVG: 230400 39.895 -16.1916 4.85456 -16.1915 -53.7167 19.2218 4.85452 19.2218 0.83816 GPRESSAVG: 230400 38.913 -16.6461 2.4965 -17.4065 -52.8779 21.2992 7.09912 18.3825 0.89046 TIMING: 230400 CPU: 732.824, 0.00314973/step Wall: 732.824, 0.00314973/step, 4.17304 hours remaining, 232.281250 MB of memory in use. ENERGY: 230400 3981.4938 20521.7481 14476.1735 261.4253 -203225.2979 2468.7795 0.0000 0.0000 52138.5691 -109377.1086 299.6411 -161515.6777 -109019.8410 298.9559 -22.7473 4.1591 760938.0984 -4.3278 -4.3581 PRESSURE: 230600 -2.3273 255.255 -206.053 255.254 237.628 101.642 -206.053 101.641 286.735 GPRESSURE: 230600 120.528 367.605 -166.856 338.669 233.703 34.6802 -183.054 159.531 238.217 PRESSAVG: 230600 30.8761 -52.8359 39.4785 -52.8359 -68.2865 -4.46794 39.4785 -4.46799 -1.81355 GPRESSAVG: 230600 30.8565 -52.5568 42.0276 -51.9513 -68.4322 -3.72388 38.6607 -1.23728 -1.64495 TIMING: 230600 CPU: 733.452, 0.00313846/step Wall: 733.452, 0.00313846/step, 4.15794 hours remaining, 232.281250 MB of memory in use. ENERGY: 230600 4027.8144 20698.1867 14524.3927 247.7310 -203966.4593 2930.9605 0.0000 0.0000 52136.3976 -109400.9764 299.6286 -161537.3739 -109048.7861 299.4625 174.0117 197.4823 761773.4505 -13.0746 -13.0736 PRESSURE: 230800 -253.555 -46.9839 -78.0612 -46.9845 -248.481 -75.0838 -78.0606 -75.0832 -137.868 GPRESSURE: 230800 -260.837 61.2452 -135.517 -5.87399 -232.519 -170.273 -68.8998 -130.47 -72.1945 PRESSAVG: 230800 68.2149 -70.5676 11.7199 -70.5676 -26.3625 -71.8366 11.7198 -71.8367 -28.3348 GPRESSAVG: 230800 68.0982 -70.5509 9.42439 -71.0613 -26.9881 -73.3825 11.9496 -72.2853 -27.7596 TIMING: 230800 CPU: 734.086, 0.00317186/step Wall: 734.086, 0.00317186/step, 4.20201 hours remaining, 232.281250 MB of memory in use. ENERGY: 230800 4017.3331 20548.8309 14529.5339 251.3390 -203095.3063 2369.8697 0.0000 0.0000 51932.9618 -109445.4380 298.4594 -161378.3998 -109078.2910 299.3908 -213.3010 -188.5170 761314.6218 4.5059 4.4502 PRESSURE: 231000 22.2251 195.109 -164.725 195.109 0.28017 -58.4048 -164.725 -58.4055 146.959 GPRESSURE: 231000 126.034 205.444 -127.643 160.645 57.8042 -17.8916 -137.264 -59.0338 77.9262 PRESSAVG: 231000 13.9469 -26.7386 -36.2599 -26.7386 7.21056 44.5208 -36.2599 44.5208 12.3399 GPRESSAVG: 231000 15.2732 -25.6689 -34.8696 -27.3923 6.46884 44.6589 -36.2261 43.4776 11.8314 TIMING: 231000 CPU: 734.715, 0.00314642/step Wall: 734.715, 0.00314642/step, 4.16813 hours remaining, 232.281250 MB of memory in use. ENERGY: 231000 4042.0252 20430.7400 14475.8232 237.9180 -203166.1305 2621.7996 0.0000 0.0000 52007.0120 -109350.8125 298.8850 -161357.8244 -108995.5349 299.3240 56.4881 87.2548 761096.8654 11.1658 11.1911 PRESSURE: 231200 219.489 -35.3241 -170.371 -35.3236 -64.8886 -39.9102 -170.371 -39.9105 -71.1539 GPRESSURE: 231200 275.255 26.5274 -144.22 -100.567 -7.36472 -37.1345 -178.682 41.7255 -90.9623 PRESSAVG: 231200 18.5442 -4.38851 -12.7065 -4.3885 -15.0418 24.3095 -12.7064 24.3095 13.011 GPRESSAVG: 231200 18.4531 -1.53858 -12.466 -5.52605 -14.0403 25.4853 -15.1156 24.5397 12.5514 TIMING: 231200 CPU: 735.343, 0.00313997/step Wall: 735.343, 0.00313997/step, 4.15941 hours remaining, 232.281250 MB of memory in use. ENERGY: 231200 3901.9035 20508.6226 14434.4987 237.0872 -203448.6850 2673.3137 0.0000 0.0000 52304.9206 -109388.3388 300.5971 -161693.2594 -109035.5023 299.4417 27.8156 58.9760 762187.6059 5.5045 5.6547 PRESSURE: 231400 -39.6137 -126.067 139.605 -126.068 -163.18 33.3953 139.605 33.3956 265.033 GPRESSURE: 231400 2.4825 -50.6487 154.85 -148.456 -119.3 43.685 99.9043 -93.9203 265.933 PRESSAVG: 231400 10.7957 -60.2271 -29.9927 -60.2271 2.24433 -0.0331404 -29.9927 -0.0331683 24.1087 GPRESSAVG: 231400 11.329 -63.3952 -28.8257 -58.6826 1.11345 -0.952312 -28.9664 1.75715 24.8177 TIMING: 231400 CPU: 735.977, 0.00316969/step Wall: 735.977, 0.00316969/step, 4.1986 hours remaining, 232.281250 MB of memory in use. ENERGY: 231400 3925.7738 20503.1544 14456.5488 238.8265 -202787.3036 2283.2549 0.0000 0.0000 52099.7630 -109279.9821 299.4181 -161379.7452 -108916.0346 299.3983 20.7466 49.7049 760806.7741 12.3829 12.4200 PRESSURE: 231600 -122.638 63.7329 -118.698 63.7331 -150.755 -68.8765 -118.699 -68.8764 120.601 GPRESSURE: 231600 -96.1512 72.1848 -109.315 85.4551 -80.4222 -151.764 -139.519 -59.689 92.2946 PRESSAVG: 231600 1.61562 -40.646 10.2108 -40.6459 -19.9122 24.0525 10.2108 24.0526 1.48455 GPRESSAVG: 231600 0.311838 -39.5957 8.47359 -41.17 -16.5609 23.5957 10.6175 23.091 -0.353967 TIMING: 231600 CPU: 736.61, 0.00316227/step Wall: 736.61, 0.00316227/step, 4.1886 hours remaining, 232.281250 MB of memory in use. ENERGY: 231600 4015.9882 20606.8509 14491.1797 241.7061 -203210.2263 2518.7905 0.0000 0.0000 52066.3124 -109269.3986 299.2258 -161335.7110 -108914.4994 299.3486 -50.9308 -28.0929 761150.6959 -5.6040 -5.5344 PRESSURE: 231800 275.103 -39.5369 114.449 -39.5373 7.51946 -301.659 114.449 -301.659 16.0203 GPRESSURE: 231800 199.067 86.3693 46.6181 22.4746 100.404 -276.073 41.7244 -254.365 77.8842 PRESSAVG: 231800 22.1989 -45.8826 0.174131 -45.8826 -43.2666 10.576 0.174168 10.5761 -18.6948 GPRESSAVG: 231800 22.7637 -44.5074 1.6745 -47.7528 -46.089 10.7062 -0.337981 10.7056 -17.1167 TIMING: 231800 CPU: 737.239, 0.00314938/step Wall: 737.239, 0.00314938/step, 4.17136 hours remaining, 232.281250 MB of memory in use. ENERGY: 231800 4019.2275 20540.9263 14547.4232 260.3913 -203178.2569 2412.1237 0.0000 0.0000 52051.6211 -109346.5437 299.1414 -161398.1647 -108997.5793 299.4325 99.5475 125.7854 761142.6717 -13.2542 -13.4807 PRESSURE: 232000 -80.951 184.977 -59.7842 184.977 -50.4984 151.911 -59.7846 151.911 -184.82 GPRESSURE: 232000 -73.5836 132.193 -76.9569 125.391 -34.7958 297.078 -107.731 97.359 -115.939 PRESSAVG: 232000 67.0629 -27.5262 -39.096 -27.5262 -75.8813 -48.7858 -39.096 -48.7858 -1.86864 GPRESSAVG: 232000 67.055 -28.5499 -40.3862 -24.88 -75.4754 -48.6623 -38.8245 -48.0078 -2.23677 TIMING: 232000 CPU: 737.872, 0.00316027/step Wall: 737.872, 0.00316027/step, 4.1856 hours remaining, 232.281250 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: 232000 4035.5289 20513.3690 14550.8833 226.9493 -203629.0925 2990.8363 0.0000 0.0000 51903.3160 -109408.2097 298.2891 -161311.5257 -109052.6452 299.0484 -105.4232 -74.7729 761320.6977 -3.5624 -3.5524 PRESSURE: 232200 -31.5386 -83.4287 -102.422 -83.4287 225.636 28.3082 -102.422 28.3085 -243.103 GPRESSURE: 232200 21.1982 -60.5276 -115.279 -181.768 169.203 -13.7817 -2.36709 -35.7156 -157.422 PRESSAVG: 232200 54.6894 -32.1141 -36.3574 -32.1141 -16.5912 55.6361 -36.3574 55.6361 -18.7113 GPRESSAVG: 232200 55.6239 -33.4671 -37.2137 -32.8722 -17.0859 56.0448 -34.3245 56.0418 -19.123 TIMING: 232200 CPU: 738.502, 0.00315303/step Wall: 738.502, 0.00315303/step, 4.17583 hours remaining, 232.281250 MB of memory in use. ENERGY: 232200 4070.4194 20477.4523 14533.2669 250.8460 -203265.7471 2423.6686 0.0000 0.0000 52022.0133 -109488.0807 298.9712 -161510.0940 -109128.3769 298.9775 -16.3352 10.9932 762331.8999 6.4623 6.4717 LDB: ============= START OF LOAD BALANCING ============== 750.929 LDB: ============== END OF LOAD BALANCING =============== 750.929 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 750.93 LDB: ============= START OF LOAD BALANCING ============== 751.252 LDB: Largest compute 7033 load 0.034740 is 17.8% of average load 0.194828 LDB: Average compute 0.004425 is 2.3% of average load 0.194828 LDB: TIME 751.255 LOAD: AVG 0.194828 MAX 0.209802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.645 MB LDB: TIME 751.256 LOAD: AVG 0.194828 MAX 0.209802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.645 MB LDB: TIME 751.256 LOAD: AVG 0.194828 MAX 0.209802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.645 MB LDB: ============== END OF LOAD BALANCING =============== 751.258 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 751.262 PRESSURE: 232400 -288.741 -87.7941 150.622 -87.7942 -41.8256 59.4699 150.622 59.4694 39.1479 GPRESSURE: 232400 -183.104 -66.4565 113.116 25.8151 -6.5218 95.0208 -7.39315 82.4349 -18.6023 PRESSAVG: 232400 -18.0871 -61.6944 -31.4199 -61.6945 -24.586 8.69819 -31.4198 8.69821 21.7853 GPRESSAVG: 232400 -19.2781 -60.0694 -30.9286 -60.9158 -22.9696 8.25357 -32.6882 7.53233 22.0587 TIMING: 232400 CPU: 739.156, 0.00327127/step Wall: 739.156, 0.00327127/step, 4.33225 hours remaining, 230.417969 MB of memory in use. ENERGY: 232400 4030.7148 20562.7955 14605.1724 245.2980 -203330.6696 2548.0759 0.0000 0.0000 51872.3968 -109466.2162 298.1114 -161338.6130 -109103.6735 298.8601 -97.1397 -69.4094 760269.1965 -6.9626 -6.7297 PRESSURE: 232600 233.78 -140.21 -62.213 -140.21 117.263 -77.6535 -62.2141 -77.654 -175.126 GPRESSURE: 232600 304.511 -166.208 -55.9877 -81.5004 138.899 -59.0993 -236.157 -143.98 -171.65 PRESSAVG: 232600 24.0831 -34.0825 0.515338 -34.0826 -12.3569 61.0445 0.51532 61.0444 -26.2063 GPRESSAVG: 232600 24.084 -35.7824 0.946015 -32.828 -11.7224 60.4827 -0.0594758 61.7061 -26.486 TIMING: 232600 CPU: 739.799, 0.00321229/step Wall: 739.799, 0.00321229/step, 4.25397 hours remaining, 230.417969 MB of memory in use. ENERGY: 232600 4044.8722 20619.1466 14446.7528 251.8573 -203349.9991 2614.8146 0.0000 0.0000 52094.6164 -109277.9393 299.3885 -161372.5556 -108922.7792 299.2165 58.6391 90.5870 761123.2727 -4.8267 -4.7081 PRESSURE: 232800 -137.836 -75.7178 64.4358 -75.7179 -254.991 -51.304 64.4367 -51.3042 -208.159 GPRESSURE: 232800 -123.213 -64.4 35.4494 -134.777 -85.4519 -66.8121 47.795 -45.7026 -303.546 PRESSAVG: 232800 37.5727 -46.7007 -31.4038 -46.7007 -54.7255 -11.075 -31.4038 -11.075 -4.98962 GPRESSAVG: 232800 36.7338 -43.6754 -32.0826 -49.6119 -55.2401 -11.3036 -31.1006 -12.2955 -4.12572 TIMING: 232800 CPU: 740.433, 0.00317022/step Wall: 740.433, 0.00317022/step, 4.19808 hours remaining, 230.417969 MB of memory in use. ENERGY: 232800 3998.8912 20509.0005 14463.6175 241.6316 -202944.5485 2188.8083 0.0000 0.0000 52186.8077 -109355.7915 299.9183 -161542.5993 -108986.8477 299.2846 -200.3287 -170.7369 760031.1713 -7.3808 -7.5440 PRESSURE: 233000 100.907 83.909 34.7876 83.9094 24.4523 66.1484 34.7887 66.1489 112.103 GPRESSURE: 233000 149.071 100.079 116.276 19.2311 60.1706 76.791 -8.47785 -96.0845 114.647 PRESSAVG: 233000 32.1867 -7.84491 -9.39525 -7.84496 -9.0228 13.6803 -9.39515 13.6803 19.6191 GPRESSAVG: 233000 33.2282 -10.9842 -9.63291 -6.49914 -10.5406 14.5532 -6.92006 14.7854 20.2852 TIMING: 233000 CPU: 741.067, 0.00317105/step Wall: 741.067, 0.00317105/step, 4.199 hours remaining, 230.417969 MB of memory in use. ENERGY: 233000 3986.7543 20420.9550 14527.9102 246.5756 -203490.1206 2678.8141 0.0000 0.0000 52044.6641 -109584.4472 299.1014 -161629.1113 -109209.7440 299.3896 79.1542 107.9631 759795.9212 14.2610 14.3243 PRESSURE: 233200 81.06 129.75 -3.19577 129.75 -46.3184 -233.08 -3.1961 -233.08 -509.828 GPRESSURE: 233200 118.496 153.379 -45.6377 104.969 -33.9017 -218.598 -34.2363 -188.471 -477.732 PRESSAVG: 233200 56.6987 -3.94149 -0.443993 -3.94145 -50.0454 14.2972 -0.44404 14.2972 -22.9735 GPRESSAVG: 233200 55.9841 -3.83365 0.105872 -5.04513 -49.0691 14.1393 -1.79733 13.7371 -23.2953 TIMING: 233200 CPU: 741.698, 0.00315207/step Wall: 741.698, 0.00315207/step, 4.17369 hours remaining, 230.417969 MB of memory in use. ENERGY: 233200 3986.4392 20681.6852 14532.6145 263.5914 -203816.8347 2687.9847 0.0000 0.0000 51928.4682 -109736.0515 298.4336 -161664.5197 -109375.1452 298.8686 -158.3622 -131.0458 759648.7909 -5.4401 -5.4601 PRESSURE: 233400 105.082 107.705 -42.4993 107.705 228.887 -224.385 -42.4991 -224.385 611.087 GPRESSURE: 233400 158.334 210.163 -15.5146 150.379 287.729 -177.133 2.29008 -100.528 570.759 PRESSAVG: 233400 -19.9728 -28.4859 16.7462 -28.4858 40.1427 -6.09153 16.7463 -6.09149 12.247 GPRESSAVG: 233400 -19.7974 -25.2731 16.1628 -27.2648 41.5525 -6.87798 17.8232 -5.11043 10.7257 TIMING: 233400 CPU: 742.334, 0.00318335/step Wall: 742.334, 0.00318335/step, 4.21494 hours remaining, 230.417969 MB of memory in use. ENERGY: 233400 4001.5926 20394.8028 14514.9771 243.2310 -203912.8747 2877.9091 0.0000 0.0000 52322.1835 -109558.1786 300.6963 -161880.3621 -109193.0617 299.1165 315.0185 338.9405 759227.1506 10.8057 10.8269 PRESSURE: 233600 -139.757 -174.499 -97.874 -174.499 100.485 66.3302 -97.8756 66.3293 -118.977 GPRESSURE: 233600 -124.644 -196.201 0.504476 -205.479 110.137 31.7916 -80.1371 110.675 -64.1418 PRESSAVG: 233600 -20.487 -48.5866 2.19713 -48.5867 27.9251 -16.8539 2.19716 -16.854 6.41897 GPRESSAVG: 233600 -20.6484 -50.1147 3.37353 -48.4024 26.6175 -16.0431 1.9738 -17.6672 7.40609 TIMING: 233600 CPU: 742.965, 0.00315491/step Wall: 742.965, 0.00315491/step, 4.1771 hours remaining, 230.417969 MB of memory in use. ENERGY: 233600 3928.3087 20507.6974 14471.0287 261.8058 -203538.4387 2769.7517 0.0000 0.0000 52104.6628 -109495.1836 299.4462 -161599.8464 -109129.5213 299.3968 -52.7498 -26.2161 761241.3544 4.6190 4.4584 PRESSURE: 233800 -80.4204 9.28081 -39.3351 9.28004 113.503 106.773 -39.3348 106.773 -149.976 GPRESSURE: 233800 -32.3705 -77.9313 -9.41554 122.219 172.646 159.608 -72.2159 101.559 -166.485 PRESSAVG: 233800 -12.5159 -52.1488 -22.2064 -52.1488 16.4006 -1.96722 -22.2063 -1.96722 5.18217 GPRESSAVG: 233800 -12.5109 -52.9888 -23.2252 -54.4052 16.4522 -1.23765 -22.6735 -3.7975 4.71823 TIMING: 233800 CPU: 743.595, 0.00314691/step Wall: 743.595, 0.00314691/step, 4.16633 hours remaining, 230.417969 MB of memory in use. ENERGY: 233800 4001.5456 20488.4521 14413.5378 242.2974 -203524.9862 2710.3890 0.0000 0.0000 52182.4792 -109486.2851 299.8934 -161668.7643 -109125.1221 299.0694 -38.9646 -8.7366 759543.5073 3.0223 2.8865 PRESSURE: 234000 -484.575 -304.157 -29.4074 -304.157 -64.4864 175.768 -29.4079 175.767 -317.456 GPRESSURE: 234000 -428.172 -384.049 -146.713 -197.359 93.0134 160.259 99.7716 84.4299 -426.274 PRESSAVG: 234000 -29.7357 -56.1632 22.7232 -56.1632 22.0239 56.0194 22.7232 56.0195 -10.5066 GPRESSAVG: 234000 -29.8008 -56.5596 21.439 -54.7161 22.2663 55.3227 24.4963 57.7238 -10.6713 TIMING: 234000 CPU: 744.222, 0.00313548/step Wall: 744.222, 0.00313548/step, 4.15102 hours remaining, 230.417969 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: 234000 3985.0617 20443.3577 14398.5789 245.7304 -203039.4177 2618.0038 0.0000 0.0000 51989.2349 -109359.4504 298.7828 -161348.6853 -108991.8036 299.1014 -288.8392 -253.8109 763515.8019 -6.0728 -6.0686 PRESSURE: 234200 -339.245 -187.639 58.0816 -187.64 -123.507 254.387 58.0816 254.387 -50.0834 GPRESSURE: 234200 -381.376 -225.186 -11.3872 -235.753 -93.1116 187.691 -26.1849 271.356 26.9773 PRESSAVG: 234200 -10.4608 -57.8909 46.4182 -57.8909 37.3889 23.129 46.4182 23.129 -0.976753 GPRESSAVG: 234200 -11.4008 -58.0423 46.8602 -56.5011 38.2831 23.1995 43.5029 21.7057 -1.09978 TIMING: 234200 CPU: 744.849, 0.00313551/step Wall: 744.849, 0.00313551/step, 4.15089 hours remaining, 230.417969 MB of memory in use. ENERGY: 234200 3985.0812 20553.1834 14452.0866 257.9827 -203221.2965 2446.5917 0.0000 0.0000 52066.7731 -109459.5979 299.2285 -161526.3710 -109091.8892 299.5069 -170.9449 -149.1700 761296.2716 8.6505 8.5942 PRESSURE: 234400 -176.075 66.9203 81.6073 66.9193 -18.9068 55.4307 81.6074 55.4306 -129.945 GPRESSURE: 234400 -112.809 -64.9565 -19.1542 49.3413 51.308 -51.0193 73.8 66.8766 -177.115 PRESSAVG: 234400 -53.7358 -22.4518 -5.70245 -22.4518 40.5874 65.8214 -5.70242 65.8213 7.91433 GPRESSAVG: 234400 -53.2962 -21.067 -6.1211 -25.9102 40.0046 65.5403 -3.66349 66.256 8.13125 TIMING: 234400 CPU: 745.476, 0.00313512/step Wall: 745.476, 0.00313512/step, 4.1502 hours remaining, 230.417969 MB of memory in use. ENERGY: 234400 3971.9089 20637.5654 14426.8120 262.5890 -203582.0115 2533.7769 0.0000 0.0000 52320.5495 -109428.8099 300.6869 -161749.3595 -109061.3782 299.9395 -108.3090 -79.5386 760058.9126 -1.7447 -1.7201 PRESSURE: 234600 -122.351 -161.395 49.2196 -161.395 244.302 91.0313 49.2197 91.0308 -146.865 GPRESSURE: 234600 63.1898 -159.658 155.922 -197.522 147.255 103.814 -13.7734 21.613 -125.356 PRESSAVG: 234600 10.8713 -84.7663 28.6508 -84.7663 3.69953 20.1526 28.6509 20.1526 22.9361 GPRESSAVG: 234600 10.735 -86.4099 29.5331 -81.7786 3.28202 21.2716 28.1449 20.7461 23.462 TIMING: 234600 CPU: 746.106, 0.00315298/step Wall: 746.106, 0.00315299/step, 4.17368 hours remaining, 230.417969 MB of memory in use. ENERGY: 234600 3956.8249 20520.3420 14486.1574 231.0271 -203830.1964 2795.3732 0.0000 0.0000 52359.4635 -109481.0084 300.9106 -161840.4719 -109123.5944 299.4632 -8.3049 28.3632 759790.3707 12.5023 12.4930 PRESSURE: 234800 68.4206 12.0948 -279.827 12.0949 -325.426 -156.397 -279.827 -156.397 -212.299 GPRESSURE: 234800 103.582 -42.3347 -270.875 67.3846 -285.822 -141.732 -174.324 -146.991 -204.407 PRESSAVG: 234800 66.9481 -21.3732 -27.1519 -21.3732 -49.1411 12.4676 -27.1519 12.4676 5.15135 GPRESSAVG: 234800 68.8377 -20.8428 -26.3723 -23.3853 -49.2862 12.61 -25.6592 10.4601 3.53613 TIMING: 234800 CPU: 746.736, 0.00314966/step Wall: 746.736, 0.00314966/step, 4.1691 hours remaining, 230.417969 MB of memory in use. ENERGY: 234800 3909.6439 20477.4804 14617.4712 235.2012 -203110.0322 2306.1447 0.0000 0.0000 52077.0505 -109487.0402 299.2875 -161564.0908 -109114.5523 299.0648 -156.4349 -128.8823 760993.6456 7.6528 7.6959 PRESSURE: 235000 -66.501 -100.868 -240.515 -100.868 149.509 -219.549 -240.515 -219.548 -130.93 GPRESSURE: 235000 -104.52 -65.7734 -225.684 -89.8954 202.721 -316.13 -190.922 -174.467 -87.3975 PRESSAVG: 235000 52.8418 -14.5889 6.25248 -14.5889 13.9488 -38.187 6.25251 -38.1869 2.62523 GPRESSAVG: 235000 52.4117 -13.3759 5.761 -15.3974 14.9858 -40.7978 5.66576 -35.0974 2.53887 TIMING: 235000 CPU: 747.368, 0.00315734/step Wall: 747.368, 0.00315734/step, 4.17909 hours remaining, 230.417969 MB of memory in use. ENERGY: 235000 4019.4552 20373.7686 14519.1537 258.8151 -203323.4759 2395.5038 0.0000 0.0000 52217.3366 -109539.4429 300.0938 -161756.7795 -109182.0371 299.4166 -15.9738 3.6012 760094.4528 23.1386 23.3121 PRESSURE: 235200 65.1942 -21.6815 -124.989 -21.6812 -360.871 -4.57355 -124.989 -4.57429 -20.7156 GPRESSURE: 235200 141.895 -38.5458 -127.741 129.718 -372.157 9.13981 -108.541 45.8349 -5.21302 PRESSAVG: 235200 -5.53375 -16.3418 47.8327 -16.3418 -39.3884 -27.1783 47.8327 -27.1783 -16.7644 GPRESSAVG: 235200 -5.32602 -15.8511 48.9854 -14.073 -38.9718 -25.2228 45.3192 -26.8486 -16.7816 TIMING: 235200 CPU: 747.998, 0.00314876/step Wall: 747.998, 0.00314876/step, 4.16755 hours remaining, 230.417969 MB of memory in use. ENERGY: 235200 3980.5113 20493.8397 14602.9081 257.4515 -203081.1934 2354.2150 0.0000 0.0000 51780.2388 -109612.0290 297.5817 -161392.2678 -109255.8912 298.9317 -105.4640 -78.4916 761398.5539 -20.5622 -20.3598 PRESSURE: 235400 -167.814 -119.659 56.1004 -119.659 69.1116 -22.2797 56.1011 -22.2808 -68.9959 GPRESSURE: 235400 -28.9974 -170.472 28.182 -96.6393 103.634 53.7216 -8.55321 -73.2196 -157.451 PRESSAVG: 235400 7.47088 -45.9382 2.99325 -45.9382 -54.9279 12.822 2.99325 12.822 -5.09937 GPRESSAVG: 235400 8.61996 -48.0655 2.27023 -44.5861 -55.5937 13.8337 5.28166 12.2481 -5.3871 TIMING: 235400 CPU: 748.631, 0.00316795/step Wall: 748.631, 0.00316795/step, 4.19278 hours remaining, 230.417969 MB of memory in use. ENERGY: 235400 3962.3188 20563.7273 14490.9428 240.1644 -203446.5571 2537.7556 0.0000 0.0000 52036.0385 -109615.6096 299.0518 -161651.6481 -109257.9137 298.7736 -55.8996 -27.6045 760716.7429 -17.5188 -17.4536 PRESSURE: 235600 254.925 -166.699 201.507 -166.699 65.9117 -287.489 201.507 -287.49 19.6073 GPRESSURE: 235600 336.504 -118.283 241.6 -181.227 50.4772 -330.466 84.1766 -338.56 41.1792 PRESSAVG: 235600 77.3509 -41.8551 31.5394 -41.855 -97.2143 -5.8614 31.5393 -5.86135 -4.80785 GPRESSAVG: 235600 76.9615 -41.3891 32.8653 -44.4746 -96.5443 -6.89907 27.3558 -7.70713 -5.45827 TIMING: 235600 CPU: 749.264, 0.0031668/step Wall: 749.264, 0.0031668/step, 4.19109 hours remaining, 230.417969 MB of memory in use. ENERGY: 235600 3990.9131 20428.8639 14514.3618 244.6405 -203635.7125 2560.3365 0.0000 0.0000 52141.1302 -109755.4665 299.6558 -161896.5967 -109403.6375 298.0850 113.4813 142.7202 758548.6165 -8.2237 -8.3470 PRESSURE: 235800 -198.58 8.83133 53.7838 8.83109 -253.689 30.077 53.7844 30.0783 21.5273 GPRESSURE: 235800 -191.033 152.068 -74.3774 -69.8964 -197.91 12.3849 90.9973 79.7682 50.1426 PRESSAVG: 235800 53.9615 -44.8451 28.6363 -44.8451 -56.6035 0.326485 28.6363 0.326505 7.65687 GPRESSAVG: 235800 53.8607 -44.3628 26.5264 -44.0559 -57.7248 -0.724145 32.5906 1.00564 9.06082 TIMING: 235800 CPU: 749.895, 0.00315319/step Wall: 749.895, 0.00315319/step, 4.1729 hours remaining, 230.417969 MB of memory in use. ENERGY: 235800 3983.4832 20454.7910 14483.4665 258.1878 -203135.3274 2320.5598 0.0000 0.0000 51857.5663 -109777.2728 298.0261 -161634.8392 -109420.6716 298.6177 -143.5806 -112.9335 760585.7438 1.6716 1.7322 PRESSURE: 236000 -281.898 79.2535 -84.6924 79.2528 -147.526 93.2954 -84.6925 93.2956 -249.134 GPRESSURE: 236000 -301.817 86.4012 -67.0138 197.453 -83.8801 34.2648 11.9102 68.4296 -221.42 PRESSAVG: 236000 -1.88593 -2.38196 26.2608 -2.38202 -11.5109 1.04858 26.2607 1.04861 -11.0907 GPRESSAVG: 236000 -2.29887 -2.84158 26.5487 -1.95891 -10.95 2.06827 26.6311 0.0654882 -11.5301 TIMING: 236000 CPU: 750.529, 0.00316978/step Wall: 750.529, 0.00316978/step, 4.19468 hours remaining, 230.417969 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: 236000 3875.4453 20477.1876 14488.6847 213.5180 -202842.0114 2084.0922 0.0000 0.0000 51999.7721 -109703.3114 298.8434 -161703.0835 -109346.2469 298.9318 -226.1859 -202.3724 759717.7226 -8.1625 -8.2596 PRESSURE: 236200 46.954 190.439 58.3473 190.44 -128.769 -165.314 58.3476 -165.314 -151.679 GPRESSURE: 236200 69.7372 161.221 5.92879 271.373 -85.5558 -223.328 93.4381 -11.1958 -120.331 PRESSAVG: 236200 -1.686 3.61908 56.0448 3.61908 -30.1721 35.2494 56.0448 35.2493 4.46067 GPRESSAVG: 236200 -0.611736 2.56094 56.0133 3.86322 -30.5322 35.013 54.6623 36.5272 3.15066 TIMING: 236200 CPU: 751.157, 0.00313867/step Wall: 751.157, 0.00313867/step, 4.15334 hours remaining, 230.417969 MB of memory in use. ENERGY: 236200 4029.0264 20362.4891 14516.8604 256.0323 -203373.3571 2262.2760 0.0000 0.0000 52026.2838 -109920.3890 298.9958 -161946.6728 -109556.6885 298.7093 -77.8316 -45.3831 759688.1348 -9.1325 -9.3311 LDB: ============= START OF LOAD BALANCING ============== 763.579 LDB: ============== END OF LOAD BALANCING =============== 763.579 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 763.581 LDB: ============= START OF LOAD BALANCING ============== 763.898 LDB: Largest compute 7074 load 0.034034 is 17.5% of average load 0.194732 LDB: Average compute 0.004421 is 2.3% of average load 0.194732 LDB: TIME 763.901 LOAD: AVG 0.194732 MAX 0.212355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.035 MB LDB: TIME 763.902 LOAD: AVG 0.194732 MAX 0.212355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.035 MB LDB: TIME 763.902 LOAD: AVG 0.194732 MAX 0.212355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.035 MB LDB: ============== END OF LOAD BALANCING =============== 763.904 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 763.909 PRESSURE: 236400 215.611 68.8095 176.954 68.8095 206.195 170.252 176.954 170.252 -146.488 GPRESSURE: 236400 260.104 -51.0498 193.634 145.204 252.702 151.52 175.182 243.564 -136.741 PRESSAVG: 236400 -15.5536 15.9403 32.0305 15.9403 17.0595 -2.83268 32.0304 -2.83269 28.7169 GPRESSAVG: 236400 -15.1713 17.8638 32.6973 14.7039 16.9979 -4.00329 34.9665 -2.20703 28.7035 TIMING: 236400 CPU: 751.802, 0.00322795/step Wall: 751.802, 0.00322795/step, 4.2713 hours remaining, 230.671875 MB of memory in use. ENERGY: 236400 3984.6210 20471.1265 14467.3612 244.9336 -203846.1791 2652.1086 0.0000 0.0000 52072.8613 -109953.1670 299.2634 -162026.0282 -109590.0317 298.1549 91.7725 125.3551 759231.3337 10.0743 10.1767 PRESSURE: 236600 263.526 -139.569 196.412 -139.568 -45.6886 -49.083 196.412 -49.0832 572.71 GPRESSURE: 236600 264.156 -141.497 247.722 -77.2609 150.642 8.12688 157.185 -88.79 446.953 PRESSAVG: 236600 55.965 -39.6509 13.9302 -39.6508 -27.3338 27.3321 13.9302 27.3322 -1.54502 GPRESSAVG: 236600 54.4581 -41.5715 13.2243 -36.599 -26.4722 28.0984 12.1583 26.4997 -1.15877 TIMING: 236600 CPU: 752.432, 0.00314958/step Wall: 752.432, 0.00314958/step, 4.16742 hours remaining, 230.671875 MB of memory in use. ENERGY: 236600 3935.7465 20468.5553 14484.2957 239.8150 -203568.5940 2560.7523 0.0000 0.0000 51962.9158 -109916.5134 298.6316 -161879.4292 -109560.7437 298.4823 263.5158 287.2505 758808.0005 9.0287 8.9424 PRESSURE: 236800 55.2542 96.4666 -341.134 96.4665 127.273 -127.979 -341.133 -127.979 -103.347 GPRESSURE: 236800 99.5851 114.395 -297.479 148.022 231.668 -27.6809 -268.756 -103.192 -170.284 PRESSAVG: 236800 -23.1199 -25.4743 34.3731 -25.4743 5.7754 -23.7888 34.3732 -23.7889 -6.36637 GPRESSAVG: 236800 -23.23 -24.5754 36.4419 -27.6555 5.81534 -21.7348 34.8334 -24.6239 -6.1415 TIMING: 236800 CPU: 753.064, 0.00315765/step Wall: 753.064, 0.00315765/step, 4.17792 hours remaining, 230.671875 MB of memory in use. ENERGY: 236800 3932.6215 20462.4292 14502.1044 267.8577 -203462.8660 2365.6252 0.0000 0.0000 52012.9123 -109919.3158 298.9189 -161932.2281 -109555.4831 298.0744 26.3933 53.6566 759258.3661 -7.9036 -7.8520 PRESSURE: 237000 -86.7753 -46.0191 133.521 -46.0188 221.888 110.18 133.522 110.181 255.199 GPRESSURE: 237000 8.45369 -65.6112 152.558 138.299 231.928 77.3182 171.546 112.915 240.396 PRESSAVG: 237000 -39.1416 30.6219 85.7321 30.6219 22.9657 -42.5124 85.7321 -42.5124 -2.6739 GPRESSAVG: 237000 -38.2902 28.5579 85.2219 31.8254 22.2288 -44.3084 83.8268 -40.5403 -2.69055 TIMING: 237000 CPU: 753.694, 0.00315076/step Wall: 753.694, 0.00315076/step, 4.16864 hours remaining, 230.671875 MB of memory in use. ENERGY: 237000 3930.2466 20452.5495 14488.3745 256.0285 -203773.8631 2742.0125 0.0000 0.0000 51713.4080 -110191.2435 297.1977 -161904.6515 -109834.1736 297.8722 130.1038 160.2591 757830.7571 -6.2833 -6.2507 PRESSURE: 237200 51.3144 -188.134 -62.125 -188.135 -9.2731 30.5827 -62.1246 30.5826 20.0613 GPRESSURE: 237200 60.0583 -120.55 -109.08 -105.983 78.999 136.233 -131.715 -55.4723 12.5059 PRESSAVG: 237200 -49.5089 -27.1824 -23.9005 -27.1824 66.6883 40.411 -23.9005 40.4109 -31.4341 GPRESSAVG: 237200 -49.5711 -26.0902 -24.6037 -26.8899 66.1707 41.9127 -20.4136 38.4384 -30.8588 TIMING: 237200 CPU: 754.322, 0.00313956/step Wall: 754.322, 0.00313956/step, 4.15364 hours remaining, 230.671875 MB of memory in use. ENERGY: 237200 4054.2926 20388.0273 14518.0279 253.2458 -203904.1607 2671.1232 0.0000 0.0000 52016.3595 -110003.0844 298.9387 -162019.4439 -109648.6536 297.9548 20.7008 50.5211 758462.3317 -4.7516 -4.7531 PRESSURE: 237400 -357.183 -13.2528 0.211128 -13.252 -257.378 -89.3601 0.210932 -89.3601 151.739 GPRESSURE: 237400 -348.184 -10.9283 34.8276 -177.67 -137.935 -43.8504 -75.8295 -252.177 103.672 PRESSAVG: 237400 -17.9772 -34.5514 -26.1618 -34.5515 10.8585 13.5113 -26.1619 13.5114 16.7361 GPRESSAVG: 237400 -17.9814 -33.1851 -26.5367 -36.5676 10.6441 12.179 -28.6292 13.4925 17.0916 TIMING: 237400 CPU: 754.949, 0.00313404/step Wall: 754.949, 0.00313404/step, 4.14616 hours remaining, 230.671875 MB of memory in use. ENERGY: 237400 4043.8382 20377.8671 14435.5822 256.9980 -203303.2575 2323.4566 0.0000 0.0000 51994.1491 -109871.3663 298.8111 -161865.5154 -109506.7605 298.1695 -154.2741 -127.4824 761955.2045 3.2058 3.2514 PRESSURE: 237600 -153.964 -70.8309 97.9886 -70.8308 59.809 -18.2334 97.9879 -18.2332 186.629 GPRESSURE: 237600 -146.049 -20.0316 36.5637 68.7115 112.667 52.8796 56.4644 -46.3955 193.89 PRESSAVG: 237600 -95.3336 -47.4202 53.0624 -47.4201 61.7526 -18.3926 53.0623 -18.3925 3.77292 GPRESSAVG: 237600 -96.48 -47.4324 53.0069 -46.7886 63.0189 -17.7322 55.3094 -19.4241 3.40829 TIMING: 237600 CPU: 755.578, 0.00314787/step Wall: 755.578, 0.00314787/step, 4.16428 hours remaining, 230.671875 MB of memory in use. ENERGY: 237600 4004.7853 20501.5517 14524.6109 232.8760 -203817.7817 2866.8822 0.0000 0.0000 52138.4179 -109548.6579 299.6402 -161687.0758 -109193.9335 298.5263 30.8245 53.5023 760504.6386 -9.9360 -10.0176 PRESSURE: 237800 16.9764 -36.5809 -61.5366 -36.5809 301.768 -151.62 -61.536 -151.62 46.7685 GPRESSURE: 237800 -29.3746 -56.8562 -81.5908 -30.7393 389.533 -172.782 -61.9917 36.9227 104.485 PRESSAVG: 237800 -28.0185 -39.3752 7.44194 -39.3752 23.926 35.3594 7.44196 35.3594 9.26112 GPRESSAVG: 237800 -26.7205 -37.0391 8.91785 -41.3738 23.7179 34.7854 6.05772 36.7464 8.21467 TIMING: 237800 CPU: 756.206, 0.00313856/step Wall: 756.206, 0.00313856/step, 4.15179 hours remaining, 230.671875 MB of memory in use. ENERGY: 237800 3957.2494 20506.6840 14486.5086 248.7944 -203419.4145 2578.6628 0.0000 0.0000 52142.0087 -109499.5066 299.6608 -161641.5153 -109142.3465 299.1286 121.8375 154.8809 760077.1605 1.7229 1.7373 PRESSURE: 238000 -23.3644 -208.787 -116.902 -208.787 -436.761 10.8476 -116.902 10.8472 -73.1811 GPRESSURE: 238000 -25.419 -183.933 -98.556 -168.823 -413.027 20.1538 -216.169 -45.6705 -17.7436 PRESSAVG: 238000 35.5396 -23.7498 -18.5039 -23.7498 9.18113 56.1247 -18.5039 56.1247 21.6741 GPRESSAVG: 238000 34.2867 -26.3277 -17.3841 -20.8023 9.23555 55.7234 -18.0045 56.5848 22.4528 TIMING: 238000 CPU: 756.834, 0.00313942/step Wall: 756.834, 0.00313942/step, 4.15275 hours remaining, 230.671875 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: 238000 4035.5147 20524.6599 14499.0763 253.3194 -203363.7937 2428.3963 0.0000 0.0000 52133.1656 -109489.6616 299.6100 -161622.8272 -109112.0430 299.3229 -177.7688 -152.0630 760776.2232 22.1316 21.9917 PRESSURE: 238200 -287.62 -133.436 -76.9816 -133.435 47.9255 117.154 -76.9802 117.155 -235.392 GPRESSURE: 238200 -290.237 19.0878 -62.8668 -173.962 33.5505 112.037 -145.12 37.2248 -135.227 PRESSAVG: 238200 -103.921 -46.9026 -12.7678 -46.9027 57.5363 14.5622 -12.7679 14.5622 -3.08101 GPRESSAVG: 238200 -102.877 -47.1592 -14.4249 -47.5572 56.7358 12.6834 -11.36 13.8378 -3.27021 TIMING: 238200 CPU: 757.463, 0.00314738/step Wall: 757.463, 0.00314738/step, 4.16311 hours remaining, 230.671875 MB of memory in use. ENERGY: 238200 4072.9127 20554.9438 14484.1408 236.2701 -203474.5377 2473.3422 0.0000 0.0000 52000.4953 -109652.4328 298.8476 -161652.9280 -109293.2022 299.3602 -158.3623 -130.6379 761130.1751 -16.4885 -16.4705 PRESSURE: 238400 -48.0864 53.3032 6.08846 53.3033 247.641 -3.1691 6.08845 -3.16974 -324.947 GPRESSURE: 238400 -30.1858 110.039 28.9894 102.287 309.566 -36.7191 26.2415 -14.2579 -334.01 PRESSAVG: 238400 -40.4687 -38.8318 12.4921 -38.8318 58.6558 24.2594 12.4921 24.2594 4.23272 GPRESSAVG: 238400 -41.1422 -38.5811 11.2506 -38.8137 58.4722 26.234 13.3092 24.1987 5.15307 TIMING: 238400 CPU: 758.091, 0.00313928/step Wall: 758.091, 0.00313928/step, 4.15222 hours remaining, 230.671875 MB of memory in use. ENERGY: 238400 3993.9335 20637.5044 14442.8138 239.8915 -203729.8421 2747.9026 0.0000 0.0000 52016.8300 -109650.9662 298.9414 -161667.7962 -109287.8338 299.3875 -41.7974 -18.2102 759037.1473 7.4733 7.4944 PRESSURE: 238600 -531.604 11.7867 -117.677 11.7864 -241.025 -135.782 -117.677 -135.781 51.9491 GPRESSURE: 238600 -487.638 -11.5449 -169.853 -68.6044 -210.688 -195.569 -55.8412 -97.5071 85.4943 PRESSAVG: 238600 -64.4913 -14.2439 -35.4454 -14.2439 39.6098 -28.0273 -35.4454 -28.0273 -20.234 GPRESSAVG: 238600 -63.7978 -13.5052 -33.0202 -14.1778 39.4569 -25.3474 -40.1643 -28.3803 -20.7329 TIMING: 238600 CPU: 758.717, 0.00312909/step Wall: 758.717, 0.00312909/step, 4.13857 hours remaining, 230.671875 MB of memory in use. ENERGY: 238600 3945.2885 20570.7645 14568.7098 264.3249 -203427.5360 2263.9270 0.0000 0.0000 52109.6933 -109704.8280 299.4751 -161814.5213 -109338.2147 298.7997 -240.2265 -204.2774 760381.7316 -15.0385 -15.0246 PRESSURE: 238800 19.4498 70.4598 -46.4821 70.4591 260.23 270.815 -46.4823 270.815 110.754 GPRESSURE: 238800 26.7164 105.199 -17.8671 71.9112 335.853 273.637 -18.5838 164.167 145.752 PRESSAVG: 238800 -17.2633 -13.2852 -70.3452 -13.2853 53.4829 21.797 -70.3452 21.797 11.4208 GPRESSAVG: 238800 -16.2577 -13.8999 -71.0838 -14.2354 53.7511 20.0351 -66.8724 22.7461 9.94139 TIMING: 238800 CPU: 759.345, 0.00314186/step Wall: 759.345, 0.00314186/step, 4.15529 hours remaining, 230.671875 MB of memory in use. ENERGY: 238800 3987.4229 20600.9257 14446.5309 225.2577 -203321.3268 2389.1985 0.0000 0.0000 51724.7664 -109947.2248 297.2629 -161671.9912 -109588.2380 298.9975 130.1447 169.4406 759989.6386 15.8801 15.8116 PRESSURE: 239000 -52.1287 65.2648 -144.763 65.2658 -386.412 -38.0448 -144.763 -38.0443 -106.338 GPRESSURE: 239000 -83.11 -5.95111 -45.3862 83.278 -317.795 -48.6065 -141.772 -233.521 -48.6825 PRESSAVG: 239000 -24.8546 -50.1345 -29.5363 -50.1345 34.3983 31.6549 -29.5364 31.6549 5.24376 GPRESSAVG: 239000 -25.8736 -50.5386 -28.5089 -48.3615 35.0412 31.5543 -31.1929 32.3821 5.5687 TIMING: 239000 CPU: 759.973, 0.00313986/step Wall: 759.973, 0.00313986/step, 4.15246 hours remaining, 230.671875 MB of memory in use. ENERGY: 239000 3975.3812 20276.9270 14463.7180 258.3329 -203543.9468 2423.9725 0.0000 0.0000 52139.4363 -110006.1790 299.6461 -162145.6152 -109637.6609 298.5137 -181.6262 -149.8625 761014.1641 4.9291 4.9121 PRESSURE: 239200 -156.135 61.1829 -54.8423 61.183 -74.4026 159.767 -54.8435 159.768 13.7644 GPRESSURE: 239200 -110.997 112.018 -93.5369 59.947 -67.1358 172.202 85.4736 -34.0815 32.2401 PRESSAVG: 239200 -24.4016 -48.8164 -31.7464 -48.8164 -7.57554 39.2244 -31.7464 39.2244 5.60544 GPRESSAVG: 239200 -23.4599 -48.223 -32.3446 -48.3141 -9.74871 37.9551 -32.4085 39.4525 6.02646 TIMING: 239200 CPU: 760.601, 0.00313705/step Wall: 760.601, 0.00313705/step, 4.14858 hours remaining, 230.671875 MB of memory in use. ENERGY: 239200 4014.0129 20605.5166 14563.5621 251.6090 -203490.7550 2353.9207 0.0000 0.0000 51764.1480 -109937.9857 297.4893 -161702.1337 -109592.8429 298.2429 -72.2577 -48.6310 759193.0000 -8.7906 -9.0607 PRESSURE: 239400 -181.954 159.288 -115.689 159.288 -12.1847 195.107 -115.689 195.108 -17.1014 GPRESSURE: 239400 -120.505 53.3544 -116.508 210.334 11.4943 158.34 -168.619 184.478 -33.0541 PRESSAVG: 239400 -15.1131 -48.445 30.61 -48.445 -16.9272 18.7377 30.61 18.7378 -3.94678 GPRESSAVG: 239400 -16.6988 -48.429 31.5144 -50.2315 -15.9445 20.2864 32.651 18.2883 -2.76179 TIMING: 239400 CPU: 761.228, 0.00313419/step Wall: 761.228, 0.00313419/step, 4.14462 hours remaining, 230.671875 MB of memory in use. ENERGY: 239400 3923.9044 20435.4738 14433.7371 224.9656 -203741.9761 2486.2846 0.0000 0.0000 52283.1424 -109954.4681 300.4719 -162237.6105 -109591.1356 298.4370 -70.4134 -47.3548 760737.8292 -11.9957 -11.8017 PRESSURE: 239600 -204.095 -105.834 -11.56 -105.835 -11.8049 -39.5183 -11.5604 -39.518 -187.817 GPRESSURE: 239600 -102.651 -27.0666 -37.1702 12.3775 -74.8816 27.1109 -97.5091 30.8699 -156.255 PRESSAVG: 239600 -23.1096 9.21717 1.97485 9.21711 24.742 19.5496 1.97479 19.5496 -29.225 GPRESSAVG: 239600 -22.2127 9.58476 1.14541 7.70877 23.6994 20.4809 0.465504 19.6145 -30.0579 TIMING: 239600 CPU: 761.858, 0.0031527/step Wall: 761.858, 0.0031527/step, 4.16892 hours remaining, 230.671875 MB of memory in use. ENERGY: 239600 3958.3019 20503.2209 14453.9705 236.7831 -203084.8390 2194.7550 0.0000 0.0000 51858.9192 -109878.8883 298.0339 -161737.8075 -109512.9239 298.5982 -134.5722 -111.2626 761724.9573 -9.1975 -9.5237 PRESSURE: 239800 -286.469 77.528 -139.534 77.5276 -173.565 -207.689 -139.535 -207.688 123.909 GPRESSURE: 239800 -315.559 114.744 -196.716 -17.5896 -54.044 -167.98 -17.2939 -156.016 129.794 PRESSAVG: 239800 46.3665 -21.3918 -10.4096 -21.3918 -36.563 50.326 -10.4097 50.326 -4.42832 GPRESSAVG: 239800 45.8734 -20.8157 -10.4471 -20.285 -35.0889 49.0667 -9.98263 49.0641 -5.22364 TIMING: 239800 CPU: 762.488, 0.00314807/step Wall: 762.488, 0.00314807/step, 4.16262 hours remaining, 230.671875 MB of memory in use. ENERGY: 239800 4037.5239 20316.1952 14525.8077 255.0485 -203727.8683 2718.8395 0.0000 0.0000 52115.6693 -109758.7843 299.5095 -161874.4536 -109402.5105 299.0343 -112.0417 -79.9363 759432.2763 1.7917 1.8536 PRESSURE: 240000 111.198 115.596 74.4352 115.596 -249.031 196.628 74.435 196.629 -63.1327 GPRESSURE: 240000 137.419 101.981 -50.8064 160.848 -239.058 147.696 83.7441 235.009 -9.53434 PRESSAVG: 240000 70.7542 -31.0951 18.1421 -31.0951 -41.3629 21.0894 18.1421 21.0894 11.2246 GPRESSAVG: 240000 70.7542 -32.5965 17.4868 -30.2397 -41.9398 21.8379 18.1733 21.0056 11.9469 TIMING: 240000 CPU: 763.119, 0.00315798/step Wall: 763.119, 0.00315797/step, 4.17554 hours remaining, 230.671875 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: 240000 3958.1511 20391.0883 14531.1018 272.3103 -203311.2066 2403.6386 0.0000 0.0000 51954.8504 -109800.0662 298.5852 -161754.9166 -109444.6672 299.2805 -66.9884 -37.0577 760069.4681 13.5387 13.5871 PRESSURE: 240200 -134.765 -377.611 262.462 -377.61 -155.452 12.1569 262.462 12.157 55.3929 GPRESSURE: 240200 -116.484 -316.138 224.108 -230.035 -144.844 60.8887 346.004 -140.102 124.226 PRESSAVG: 240200 37.6215 -83.0824 -11.5204 -83.0824 -6.16757 14.3598 -11.5204 14.3598 -17.9893 GPRESSAVG: 240200 36.9901 -81.4961 -11.2064 -82.3463 -5.07725 14.7102 -11.2083 14.6648 -18.4257 TIMING: 240200 CPU: 763.748, 0.00314559/step Wall: 763.748, 0.00314559/step, 4.159 hours remaining, 230.671875 MB of memory in use. ENERGY: 240200 4009.4992 20366.4786 14451.0614 236.5277 -202992.9716 2206.5961 0.0000 0.0000 51649.5998 -110073.2087 296.8310 -161722.8086 -109712.8768 298.5764 -78.2746 -45.7007 759194.2029 4.4882 4.4957 LDB: ============= START OF LOAD BALANCING ============== 776.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 776.17 LDB: =============== DONE WITH MIGRATION ================ 776.172 LDB: ============= START OF LOAD BALANCING ============== 776.488 LDB: Largest compute 7033 load 0.035000 is 18.0% of average load 0.194959 LDB: Average compute 0.004414 is 2.3% of average load 0.194959 LDB: TIME 776.491 LOAD: AVG 0.194959 MAX 0.212583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.82 MB LDB: TIME 776.492 LOAD: AVG 0.194959 MAX 0.212583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.023 MB LDB: TIME 776.492 LOAD: AVG 0.194959 MAX 0.212583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.023 MB LDB: ============== END OF LOAD BALANCING =============== 776.494 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 776.499 PRESSURE: 240400 164.922 -97.9086 111.477 -97.9083 298.271 52.437 111.476 52.4369 -156.471 GPRESSURE: 240400 179.188 -20.486 56.562 -75.8743 296.978 2.54474 143.115 82.4472 -72.7046 PRESSAVG: 240400 17.6095 -48.7182 55.0953 -48.7183 1.29589 69.2976 55.0953 69.2976 5.94153 GPRESSAVG: 240400 17.4018 -49.8116 55.0874 -51.011 0.996707 68.0679 54.9629 68.7911 6.37873 TIMING: 240400 CPU: 764.393, 0.00322119/step Wall: 764.393, 0.00322119/step, 4.25877 hours remaining, 232.011719 MB of memory in use. ENERGY: 240400 3929.8757 20310.5923 14471.3123 239.1485 -203520.2638 2663.1835 0.0000 0.0000 52067.5406 -109838.6110 299.2329 -161906.1515 -109488.3000 298.1872 102.2406 134.4872 760413.1648 8.2823 8.2591 PRESSURE: 240600 183.63 -73.0348 324.806 -73.0342 -145.475 -57.8822 324.805 -57.8822 162.425 GPRESSURE: 240600 124.526 -180.519 344.919 -97.8865 -69.4957 21.9856 333.962 8.88495 218.807 PRESSAVG: 240600 21.2736 -58.0676 -58.5951 -58.0675 -2.10018 43.1865 -58.5951 43.1864 -6.21813 GPRESSAVG: 240600 21.8919 -55.74 -57.6156 -55.9914 -3.29492 44.0731 -59.0097 44.7654 -5.65945 TIMING: 240600 CPU: 765.022, 0.00314621/step Wall: 765.022, 0.00314621/step, 4.15946 hours remaining, 232.011719 MB of memory in use. ENERGY: 240600 3951.2692 20663.3005 14431.5312 234.9273 -203630.5978 2635.3580 0.0000 0.0000 52023.6276 -109690.5839 298.9805 -161714.2116 -109340.3527 298.7760 66.8600 91.2790 760124.5965 4.3184 4.3125 PRESSURE: 240800 269.652 -67.5598 227.473 -67.5598 -428.094 59.067 227.474 59.0683 -188.584 GPRESSURE: 240800 190.275 -129.679 203.597 -52.2512 -298.263 105.516 127.112 63.3007 -141.057 PRESSAVG: 240800 68.237 -76.6044 -46.2386 -76.6044 -38.7493 -24.1231 -46.2387 -24.1232 -15.0597 GPRESSAVG: 240800 67.4596 -77.3989 -47.2836 -74.8756 -37.9535 -25.6775 -46.3276 -25.7948 -15.2304 TIMING: 240800 CPU: 765.646, 0.00312207/step Wall: 765.646, 0.00312207/step, 4.12738 hours remaining, 232.011719 MB of memory in use. ENERGY: 240800 3968.3865 20357.1944 14478.8128 249.3935 -203478.2770 2599.1513 0.0000 0.0000 52135.0443 -109690.2942 299.6208 -161825.3385 -109325.6291 298.8600 -115.6756 -83.0155 760480.4130 4.8093 4.7586 PRESSURE: 241000 167.673 -11.9372 -115.588 -11.937 81.9892 5.23512 -115.588 5.23523 188.747 GPRESSURE: 241000 101.92 104.321 -114.883 56.7761 156.769 67.6143 -122.107 -14.8725 271.115 PRESSAVG: 241000 22.7798 -46.466 -27.0294 -46.466 8.07252 75.0929 -27.0294 75.0929 14.7825 GPRESSAVG: 241000 22.6893 -45.7163 -27.8165 -49.9125 6.97053 76.1929 -25.8551 75.2814 16.2523 TIMING: 241000 CPU: 766.278, 0.00315653/step Wall: 766.278, 0.00315653/step, 4.17276 hours remaining, 232.011719 MB of memory in use. ENERGY: 241000 3968.3795 20526.1762 14386.6141 259.4330 -203260.8768 2619.4411 0.0000 0.0000 52040.8030 -109460.0299 299.0792 -161500.8329 -109099.1132 299.0574 146.1366 176.6014 759967.1671 15.2116 15.3040 PRESSURE: 241200 -406.138 -136.78 76.2054 -136.779 -457.629 21.2269 76.2055 21.2271 -2.64421 GPRESSURE: 241200 -347.041 -105.594 192.244 -70.7172 -428.616 89.8803 157.825 0.808336 -15.5803 PRESSAVG: 241200 13.7612 -86.3354 -38.3523 -86.3354 -31.5302 10.3397 -38.3523 10.3398 -10.0685 GPRESSAVG: 241200 14.7465 -87.4551 -37.4033 -83.4291 -31.1784 12.1484 -37.5555 8.17312 -11.5647 TIMING: 241200 CPU: 766.905, 0.00313838/step Wall: 766.905, 0.00313838/step, 4.14859 hours remaining, 232.011719 MB of memory in use. ENERGY: 241200 3956.7307 20648.3561 14489.1708 263.8056 -203123.5416 2277.8882 0.0000 0.0000 52043.1266 -109444.4637 299.0926 -161487.5903 -109095.6188 299.4487 -288.8038 -263.7456 760288.7980 -9.2792 -9.3322 PRESSURE: 241400 70.5661 -350.808 -104.79 -350.808 -317.101 50.27 -104.79 50.2692 -237.984 GPRESSURE: 241400 28.7749 -314.657 -139.833 -341.831 -292.871 64.5768 -254.582 118.341 -131.796 PRESSAVG: 241400 55.0264 -76.8793 -7.86058 -76.8793 -55.0891 21.5091 -7.86061 21.5092 0.845077 GPRESSAVG: 241400 55.6145 -74.5931 -8.83809 -78.9283 -55.2635 21.7572 -7.64465 22.0204 0.0166942 TIMING: 241400 CPU: 767.535, 0.00314768/step Wall: 767.535, 0.00314768/step, 4.1607 hours remaining, 232.011719 MB of memory in use. ENERGY: 241400 3938.6931 20489.8525 14458.5916 232.5178 -203348.1835 2682.3319 0.0000 0.0000 51944.0126 -109602.1840 298.5230 -161546.1965 -109239.1720 299.6760 -161.5062 -131.9639 760342.7098 0.2608 0.1226 PRESSURE: 241600 -105.474 -48.6134 41.7838 -48.6143 279.621 42.4068 41.7845 42.4065 93.5921 GPRESSURE: 241600 -22.7303 -92.4732 88.9959 -12.7154 295.409 -0.13408 -5.49368 103.162 67.8407 PRESSAVG: 241600 1.82533 -37.0481 -11.7974 -37.0482 -51.4497 20.2247 -11.7974 20.2247 -20.0146 GPRESSAVG: 241600 0.91342 -39.2262 -10.0919 -37.1904 -51.0827 17.7796 -12.7034 20.6663 -19.6983 TIMING: 241600 CPU: 768.167, 0.00316281/step Wall: 768.167, 0.00316281/step, 4.18054 hours remaining, 232.011719 MB of memory in use. ENERGY: 241600 4011.3059 20596.3141 14437.3123 255.9244 -203272.1351 2461.3044 0.0000 0.0000 52014.6400 -109495.3338 298.9289 -161509.9738 -109137.8590 299.1510 89.2467 113.5063 762323.9862 -23.2130 -23.2892 PRESSURE: 241800 270.279 -286.3 115.142 -286.3 79.9225 19.6207 115.143 19.6197 585.087 GPRESSURE: 241800 294.421 -261.573 52.2458 -208.016 122.283 11.4087 117.05 148.414 608.066 PRESSAVG: 241800 75.9791 -16.9558 22.5985 -16.9559 -103.708 34.1186 22.5985 34.1187 2.91357 GPRESSAVG: 241800 74.8572 -16.9865 21.3466 -14.2846 -102.975 34.2383 22.3767 34.5683 3.62125 TIMING: 241800 CPU: 768.8, 0.00316349/step Wall: 768.8, 0.00316349/step, 4.18126 hours remaining, 232.011719 MB of memory in use. ENERGY: 241800 3992.8132 20578.7306 14517.4432 240.1537 -203342.4418 2695.7995 0.0000 0.0000 51955.4713 -109362.0302 298.5888 -161317.5016 -109001.0961 299.3705 311.7627 341.5900 761023.6237 -8.2719 -8.1654 PRESSURE: 242000 148.651 -18.6454 -209.964 -18.6458 48.4582 -238.933 -209.965 -238.933 -20.0168 GPRESSURE: 242000 179.043 10.9625 -237.825 -16.0042 72.4954 -282.028 -106.964 -225.663 20.0667 PRESSAVG: 242000 81.7248 -84.2231 -19.5984 -84.2232 -74.6133 17.7074 -19.5984 17.7074 0.405536 GPRESSAVG: 242000 82.7261 -83.9978 -18.0593 -85.0605 -76.1316 18.0493 -18.499 16.9498 0.812474 TIMING: 242000 CPU: 769.432, 0.00316043/step Wall: 769.432, 0.00316043/step, 4.17704 hours remaining, 232.011719 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: 242000 3991.4356 20674.9356 14392.9665 243.3798 -203197.6466 2507.1272 0.0000 0.0000 52056.3744 -109331.4275 299.1687 -161387.8019 -108972.0432 299.8354 59.0306 90.5350 759929.3336 2.5057 2.4690 PRESSURE: 242200 -32.0009 284.705 -215.307 284.706 -414.777 42.5497 -215.307 42.5489 -190.819 GPRESSURE: 242200 -62.3563 192.733 -183.036 204.56 -374.64 76.5033 -153.522 -69.1073 -119.776 PRESSAVG: 242200 69.9466 -37.0349 -11.9227 -37.0349 -16.1258 25.5326 -11.9227 25.5325 -5.32915 GPRESSAVG: 242200 70.4386 -39.9272 -13.5578 -37.777 -15.4613 26.8739 -12.0642 24.7152 -6.45075 TIMING: 242200 CPU: 770.066, 0.00316839/step Wall: 770.066, 0.00316839/step, 4.18738 hours remaining, 232.011719 MB of memory in use. ENERGY: 242200 3977.6738 20594.9808 14364.6301 251.0898 -202933.6432 2393.7737 0.0000 0.0000 52230.6626 -109120.8324 300.1703 -161351.4950 -108752.2512 300.1542 -212.5325 -185.5907 761667.9202 16.1639 16.1755 PRESSURE: 242400 -201.032 -6.96419 -242.626 -6.96483 -178.644 -39.3617 -242.625 -39.363 -226.483 GPRESSURE: 242400 -204.669 -0.53017 -224.353 1.81991 -140.179 -50.283 -228.094 -26.7994 -171.413 PRESSAVG: 242400 28.7029 45.1904 -58.4949 45.1904 -73.6497 -23.314 -58.4948 -23.3141 20.0541 GPRESSAVG: 242400 27.7874 47.9764 -56.6482 44.2863 -74.0362 -25.1314 -59.8542 -20.359 21.2472 TIMING: 242400 CPU: 770.699, 0.00316506/step Wall: 770.699, 0.00316506/step, 4.1828 hours remaining, 232.011719 MB of memory in use. ENERGY: 242400 3958.6828 20526.9916 14371.4163 239.4587 -202754.4209 2356.5694 0.0000 0.0000 52294.4309 -109006.8711 300.5368 -161301.3021 -108643.9104 300.3740 -202.0533 -172.0870 763632.7973 -8.2975 -8.3339 PRESSURE: 242600 -327.477 30.0966 -244.726 30.0969 -235.336 45.571 -244.726 45.5715 -102.589 GPRESSURE: 242600 -212.174 -26.5546 -182.005 -27.8157 -247.117 11.7616 -208.987 127.328 -106.626 PRESSAVG: 242600 60.3615 -1.02738 -49.0342 -1.02736 -47.2404 16.2788 -49.0343 16.2788 -5.4755 GPRESSAVG: 242600 60.9409 -2.05621 -49.6414 0.73491 -46.0201 16.7701 -47.8029 14.0624 -7.46057 TIMING: 242600 CPU: 771.332, 0.00316521/step Wall: 771.332, 0.00316521/step, 4.18283 hours remaining, 232.011719 MB of memory in use. ENERGY: 242600 3992.3300 20436.1467 14430.8896 250.8151 -202721.6579 2018.8582 0.0000 0.0000 52271.9323 -109320.6861 300.4075 -161592.6184 -108948.5581 300.0380 -221.8006 -188.6390 761791.3852 2.5485 2.4868 PRESSURE: 242800 -144.498 -237.513 200.823 -237.513 167.913 65.0871 200.824 65.087 -177.765 GPRESSURE: 242800 9.21069 -211.516 140.586 -268.091 150.701 29.8455 200.532 45.0665 -238.519 PRESSAVG: 242800 85.1486 -11.7246 -6.86245 -11.7245 -96.8191 -35.6759 -6.86246 -35.6759 -6.10976 GPRESSAVG: 242800 85.0243 -11.3803 -7.42786 -12.7929 -97.354 -35.6045 -7.48504 -33.4405 -4.86644 TIMING: 242800 CPU: 771.96, 0.00314204/step Wall: 771.96, 0.00314204/step, 4.15203 hours remaining, 232.011719 MB of memory in use. ENERGY: 242800 4002.4617 20588.9820 14458.5868 233.6283 -203405.1330 2596.7438 0.0000 0.0000 52281.8727 -109242.8577 300.4646 -161524.7304 -108879.8657 299.8079 -51.4498 -26.2025 761906.2374 -5.9267 -5.7321 PRESSURE: 243000 -177.078 -106.368 2.80899 -106.367 -416.551 167.427 2.80938 167.428 -62.7517 GPRESSURE: 243000 -179.861 -83.9682 3.57647 -114.796 -350.098 92.2104 -4.3036 159.534 -57.979 PRESSAVG: 243000 23.8969 -94.2342 -14.4247 -94.2342 -33.6794 46.8227 -14.4248 46.8227 -6.12834 GPRESSAVG: 243000 23.3458 -95.9397 -14.5914 -92.7686 -33.6314 45.8381 -15.3541 45.7647 -5.64922 TIMING: 243000 CPU: 772.591, 0.0031545/step Wall: 772.591, 0.0031545/step, 4.16832 hours remaining, 232.011719 MB of memory in use. ENERGY: 243000 3999.3086 20542.4442 14438.9403 252.2114 -203237.1276 2603.5252 0.0000 0.0000 52116.9982 -109283.6996 299.5171 -161400.6978 -108926.1722 299.4408 -218.7935 -195.9796 763276.6844 -5.3036 -5.3116 PRESSURE: 243200 -278.598 -142.758 -46.1582 -142.758 -338.006 125.393 -46.1581 125.392 -366.134 GPRESSURE: 243200 -211.467 -166.624 -59.7298 -42.3574 -285.758 138.875 4.38173 215.445 -386.489 PRESSAVG: 243200 62.2682 -56.3067 21.3286 -56.3067 -57.1312 -57.8606 21.3287 -57.8607 -1.07028 GPRESSAVG: 243200 62.83 -52.656 20.1951 -58.3861 -58.2616 -57.0731 23.1324 -57.7862 -0.666299 TIMING: 243200 CPU: 773.221, 0.00314888/step Wall: 773.221, 0.00314888/step, 4.16072 hours remaining, 232.011719 MB of memory in use. ENERGY: 243200 3953.6944 20371.5135 14427.3346 256.8211 -203192.0393 2574.0279 0.0000 0.0000 52306.9210 -109301.7269 300.6086 -161608.6478 -108940.3291 299.4647 -327.5796 -294.5714 762811.1796 1.3556 1.3007 PRESSURE: 243400 256.369 -231.495 165.725 -231.495 212.809 -94.6603 165.725 -94.6608 -9.48248 GPRESSURE: 243400 237.221 -129.22 137.661 -228.807 227.605 -101.5 112.678 -43.3466 75.4618 PRESSAVG: 243400 49.086 -109.963 62.2219 -109.963 -78.3452 15.6519 62.2219 15.6519 24.4097 GPRESSAVG: 243400 48.6476 -111.629 61.2598 -109.754 -78.7746 15.2258 64.0785 14.9811 25.2519 TIMING: 243400 CPU: 773.85, 0.00314479/step Wall: 773.85, 0.00314479/step, 4.15515 hours remaining, 232.011719 MB of memory in use. ENERGY: 243400 3957.8058 20607.8660 14439.0093 225.8528 -203388.0513 2788.7808 0.0000 0.0000 51970.5341 -109398.2026 298.6754 -161368.7366 -109042.9308 299.6804 153.2320 180.0960 764033.3388 -1.6165 -1.6250 PRESSURE: 243600 210.899 -212.227 199.62 -212.227 -124.317 -191.9 199.62 -191.899 685.698 GPRESSURE: 243600 293.662 -248.072 135.401 -219.519 -52.8831 -273.032 195.89 -89.0731 609.526 PRESSAVG: 243600 62.8444 -73.5249 60.6198 -73.5249 -39.504 -14.5328 60.6199 -14.5328 -5.33455 GPRESSAVG: 243600 62.6857 -72.7842 62.894 -72.9556 -38.3575 -13.2281 57.7255 -15.5798 -6.04131 TIMING: 243600 CPU: 774.475, 0.00312707/step Wall: 774.475, 0.00312707/step, 4.13155 hours remaining, 232.011719 MB of memory in use. ENERGY: 243600 3958.9786 20434.2744 14487.2312 249.5313 -203615.7218 2918.2519 0.0000 0.0000 52186.3134 -109381.1411 299.9155 -161567.4545 -109009.4165 299.1706 257.4266 283.4349 762022.0198 6.0020 6.0956 PRESSURE: 243800 114.427 -92.907 -43.1403 -92.9072 -327.794 109.834 -43.1395 109.834 -281.925 GPRESSURE: 243800 166.125 -34.4225 -96.5283 -206.732 -314.48 12.6741 -139.6 187.626 -246.408 PRESSAVG: 243800 50.7606 -69.9247 35.9506 -69.9248 -44.1533 27.352 35.9506 27.352 -6.72205 GPRESSAVG: 243800 49.1943 -68.9208 35.2234 -72.9251 -43.8413 25.3206 35.7467 29.7333 -5.33388 TIMING: 243800 CPU: 775.102, 0.00313313/step Wall: 775.102, 0.00313313/step, 4.13939 hours remaining, 232.011719 MB of memory in use. ENERGY: 243800 4047.2344 20571.5760 14500.5581 239.4511 -203413.3946 2639.7243 0.0000 0.0000 51926.8697 -109487.9808 298.4244 -161414.8506 -109130.0237 299.5194 -165.0972 -131.5875 761722.5609 -0.0382 0.0064 PRESSURE: 244000 31.8593 -81.4661 -103.752 -81.4659 61.6726 157.264 -103.752 157.263 41.2099 GPRESSURE: 244000 69.3791 -87.4339 -91.9321 124.142 106.628 131.394 -74.0783 259.11 44.8248 PRESSAVG: 244000 9.27353 -112.836 10.2369 -112.836 -23.4548 -11.8771 10.2368 -11.8771 -30.1115 GPRESSAVG: 244000 10.492 -115.758 8.99587 -109.011 -23.4867 -10.2036 10.8041 -12.7268 -30.96 TIMING: 244000 CPU: 775.73, 0.00313802/step Wall: 775.73, 0.00313802/step, 4.14568 hours remaining, 232.011719 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: 244000 3948.7077 20606.7879 14393.1117 235.2934 -203456.9851 2489.1304 0.0000 0.0000 52393.4159 -109390.5380 301.1057 -161783.9540 -109027.7142 299.6020 44.9139 73.6105 762123.2272 -14.7643 -14.6516 PRESSURE: 244200 71.706 -191.839 41.2514 -191.839 -143.664 82.0225 41.2515 82.0224 410.029 GPRESSURE: 244200 207.767 -207.171 56.4821 -295.143 -170.617 71.4161 39.1022 55.2975 378.089 PRESSAVG: 244200 53.1882 -21.5714 -8.41779 -21.5713 -21.4786 39.4707 -8.41779 39.4706 -20.3066 GPRESSAVG: 244200 53.9709 -21.5684 -7.14167 -22.0209 -21.6998 39.9438 -8.92491 40.0472 -21.2252 TIMING: 244200 CPU: 776.359, 0.00314856/step Wall: 776.359, 0.00314856/step, 4.15942 hours remaining, 232.011719 MB of memory in use. ENERGY: 244200 3891.0199 20316.4581 14551.0378 246.0682 -203273.0876 2463.4200 0.0000 0.0000 52378.7062 -109426.3774 301.0211 -161805.0836 -109058.6210 299.5233 112.6903 138.4129 761311.6395 3.8010 3.6820 LDB: ============= START OF LOAD BALANCING ============== 788.78 LDB: ============== END OF LOAD BALANCING =============== 788.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 788.782 LDB: ============= START OF LOAD BALANCING ============== 789.098 LDB: Largest compute 7049 load 0.033825 is 17.4% of average load 0.194841 LDB: Average compute 0.004406 is 2.3% of average load 0.194841 LDB: TIME 789.101 LOAD: AVG 0.194841 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.387 MB LDB: TIME 789.102 LOAD: AVG 0.194841 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.461 MB LDB: TIME 789.102 LOAD: AVG 0.194841 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.461 MB LDB: ============== END OF LOAD BALANCING =============== 789.104 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 789.109 PRESSURE: 244400 34.7512 31.0714 -72.352 31.0721 -68.7641 56.8286 -72.3516 56.828 -453.55 GPRESSURE: 244400 8.0097 42.8885 -28.355 -17.1849 -23.2135 66.2765 -88.3946 -24.8466 -384.904 PRESSAVG: 244400 71.275 -31.7288 22.3077 -31.7288 -82.8704 2.74431 22.3077 2.74427 18.5334 GPRESSAVG: 244400 72.0361 -29.1919 23.5146 -34.4795 -83.9789 2.34734 23.8287 1.6572 19.049 TIMING: 244400 CPU: 777.002, 0.0032153/step Wall: 777.002, 0.0032153/step, 4.24741 hours remaining, 231.125000 MB of memory in use. ENERGY: 244400 3940.7464 20480.4414 14495.3811 247.4824 -203056.1335 2455.0295 0.0000 0.0000 51971.5041 -109465.5486 298.6809 -161437.0527 -109105.3546 298.8276 -162.5209 -133.3694 762857.4065 2.3127 2.3687 PRESSURE: 244600 433.566 -154.78 351.992 -154.78 324.592 -71.1767 351.992 -71.1775 181.911 GPRESSURE: 244600 570.866 -116.326 302.643 -114.59 368.38 -31.7806 237.845 -107.757 88.4498 PRESSAVG: 244600 44.7598 -38.1747 20.9541 -38.1747 -23.3923 -15.4118 20.9541 -15.4117 -14.7045 GPRESSAVG: 244600 43.0562 -40.8153 19.1991 -36.1399 -21.1726 -14.9614 19.9347 -16.4187 -15.4326 TIMING: 244600 CPU: 777.633, 0.00315072/step Wall: 777.633, 0.00315072/step, 4.16193 hours remaining, 231.324219 MB of memory in use. ENERGY: 244600 3927.1144 20535.8275 14447.6408 240.2124 -202986.3258 2538.2086 0.0000 0.0000 52077.3647 -109219.9574 299.2893 -161297.3221 -108866.8183 299.5855 313.3562 342.5652 761573.9193 2.2210 2.1503 PRESSURE: 244800 -250.358 -95.3506 -116.013 -95.3505 -54.2442 -122.643 -116.013 -122.642 4.25606 GPRESSURE: 244800 -87.4895 -12.3222 -74.6074 -88.853 -96.0704 -76.4295 -160.363 -62.3075 -42.3 PRESSAVG: 244800 23.576 -51.8605 33.6211 -51.8605 -10.7218 -15.4632 33.621 -15.4632 8.1705 GPRESSAVG: 244800 23.5923 -53.3587 33.0989 -50.2238 -10.5808 -13.6413 34.2568 -13.5038 8.28317 TIMING: 244800 CPU: 778.26, 0.00313525/step Wall: 778.26, 0.00313525/step, 4.14132 hours remaining, 231.324219 MB of memory in use. ENERGY: 244800 4010.0506 20387.9082 14468.5066 247.4345 -203040.8789 2528.0423 0.0000 0.0000 52057.4902 -109341.4465 299.1751 -161398.9367 -108972.8540 299.4976 -100.1154 -75.2866 763210.7522 7.0083 7.0982 PRESSURE: 245000 -50.0586 -72.9201 69.49 -72.9196 -139.466 66.6826 69.4892 66.6829 -342.595 GPRESSURE: 245000 -14.1062 -164.685 151.677 -72.7843 -162.705 98.5615 -42.3809 25.2911 -262.157 PRESSAVG: 245000 42.1921 -0.384479 -7.27904 -0.384457 -56.4772 -9.67776 -7.27904 -9.67782 8.32314 GPRESSAVG: 245000 41.7329 3.05716 -6.28407 -3.22177 -57.8301 -12.293 -7.41051 -12.889 9.75927 TIMING: 245000 CPU: 778.892, 0.00315933/step Wall: 778.892, 0.00315933/step, 4.17294 hours remaining, 231.324219 MB of memory in use. ENERGY: 245000 3950.1002 20506.6441 14535.4097 252.2301 -203059.9563 2361.5466 0.0000 0.0000 52143.0916 -109310.9341 299.6671 -161454.0256 -108950.6491 299.4975 -177.3733 -146.3225 763254.1668 -1.9873 -2.1126 PRESSURE: 245200 -235.297 -67.9774 -130.841 -67.9766 128.925 147.626 -130.841 147.625 264.54 GPRESSURE: 245200 -113.173 -100.602 -144.764 -19.3814 90.814 106.037 -164.346 286.35 263.813 PRESSAVG: 245200 46.8035 -11.9651 -41.7758 -11.9652 -49.7585 44.343 -41.7758 44.3429 -16.9391 GPRESSAVG: 245200 47.5157 -11.4839 -42.7938 -12.5295 -49.4128 43.898 -42.0969 48.5307 -17.9942 TIMING: 245200 CPU: 779.522, 0.00315173/step Wall: 779.522, 0.00315173/step, 4.16274 hours remaining, 231.324219 MB of memory in use. ENERGY: 245200 3973.3025 20479.6243 14437.0429 257.0163 -203327.2402 2703.5626 0.0000 0.0000 52106.8623 -109369.8293 299.4589 -161476.6916 -109005.6569 299.0613 52.7225 80.4845 761970.7698 -6.6314 -6.6304 PRESSURE: 245400 298.1 -96.0303 -15.4146 -96.0308 107.323 153.955 -15.4151 153.955 440.004 GPRESSURE: 245400 398.13 -42.9938 -38.1466 -202.187 140.349 149.576 -38.448 25.1396 400.326 PRESSAVG: 245400 -48.5494 -36.3266 -10.0829 -36.3266 28.833 -21.4986 -10.0828 -21.4985 -23.9882 GPRESSAVG: 245400 -48.9472 -37.0543 -8.85599 -34.8752 28.845 -21.331 -11.7202 -20.6369 -22.8877 TIMING: 245400 CPU: 780.15, 0.00314268/step Wall: 780.15, 0.00314268/step, 4.15061 hours remaining, 231.324219 MB of memory in use. ENERGY: 245400 4000.9421 20659.7233 14440.9183 237.5799 -203456.9602 2715.1873 0.0000 0.0000 52096.2858 -109306.3235 299.3981 -161402.6093 -108944.1372 299.6818 281.8091 312.9351 761682.3112 -14.5682 -14.3300 PRESSURE: 245600 -156.34 48.3094 141.61 48.3094 -273.258 92.9442 141.61 92.9444 -340.9 GPRESSURE: 245600 -31.3851 87.3833 50.8496 114.57 -240.223 73.8057 40.3444 124.159 -432.194 PRESSAVG: 245600 31.9194 -28.0151 -63.272 -28.0151 -8.96607 30.84 -63.2721 30.84 -3.36141 GPRESSAVG: 245600 31.5436 -28.5089 -63.5101 -29.9419 -8.11139 31.4969 -61.6077 28.1892 -3.50546 TIMING: 245600 CPU: 780.778, 0.00313866/step Wall: 780.778, 0.00313866/step, 4.14513 hours remaining, 231.324219 MB of memory in use. ENERGY: 245600 3995.6949 20562.6637 14424.2652 238.2989 -203304.9517 2412.2858 0.0000 0.0000 52219.7382 -109452.0049 300.1076 -161671.7432 -109087.5641 299.4326 -256.8329 -234.6006 762583.9566 6.5307 6.6423 PRESSURE: 245800 45.4609 50.4755 -7.886 50.4752 -451.951 26.07 -7.88683 26.0696 285.602 GPRESSURE: 245800 14.7044 75.5189 -9.22224 61.1173 -389.213 56.6226 -49.2316 -6.55289 336.854 PRESSAVG: 245800 -47.7098 -38.5345 -59.6801 -38.5345 69.2599 -0.493699 -59.6802 -0.493674 -10.3619 GPRESSAVG: 245800 -47.3493 -39.8819 -59.7436 -35.5598 68.0153 -1.71801 -60.0322 1.11776 -9.25107 TIMING: 245800 CPU: 781.408, 0.00315001/step Wall: 781.408, 0.00315001/step, 4.15994 hours remaining, 231.324219 MB of memory in use. ENERGY: 245800 3947.1289 20619.7805 14496.4466 245.3639 -203496.4286 2579.6541 0.0000 0.0000 52099.7588 -109508.2958 299.4180 -161608.0546 -109140.7400 299.3677 -40.2960 -12.5517 759659.7066 3.7294 3.8050 PRESSURE: 246000 -327.45 -69.9685 -181.817 -69.968 13.2677 -29.7202 -181.818 -29.7201 -185.476 GPRESSURE: 246000 -166.38 -99.6812 -120.683 -109.982 -27.5005 -47.5489 -99.1996 -52.3857 -185.656 PRESSAVG: 246000 -17.6153 -24.6408 -72.3404 -24.6409 33.408 -4.93716 -72.3404 -4.9372 14.2179 GPRESSAVG: 246000 -16.3853 -25.6295 -72.1279 -26.8881 34.4271 -3.19582 -71.6184 -5.32778 12.2728 TIMING: 246000 CPU: 782.037, 0.00314365/step Wall: 782.037, 0.00314365/step, 4.15137 hours remaining, 231.324219 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: 246000 3977.7819 20539.6382 14500.1807 263.4693 -202968.9670 2443.7607 0.0000 0.0000 51776.7436 -109467.3926 297.5617 -161244.1362 -109107.6533 299.5292 -166.5527 -126.5121 760262.1746 10.0035 10.1049 PRESSURE: 246200 -508.084 -50.0107 -166.35 -50.0116 -163.31 -4.28027 -166.35 -4.28074 128.698 GPRESSURE: 246200 -406.825 -110.951 -61.9914 33.5129 -126.884 9.75704 -93.3204 -54.0629 62.3228 PRESSAVG: 246200 -49.5337 -15.3369 -58.5722 -15.3368 42.9259 5.57551 -58.5722 5.57547 -4.82233 GPRESSAVG: 246200 -50.819 -12.3291 -59.838 -15.889 44.1167 6.74648 -57.2199 2.27517 -4.31159 TIMING: 246200 CPU: 782.662, 0.00312385/step Wall: 782.662, 0.00312385/step, 4.12504 hours remaining, 231.324219 MB of memory in use. ENERGY: 246200 3999.6301 20447.9646 14460.1788 254.8656 -203260.5785 2341.5836 0.0000 0.0000 52084.8556 -109671.5003 299.3324 -161756.3559 -109297.3813 299.2375 -180.8988 -157.1286 760268.4010 -3.8100 -3.6713 PRESSURE: 246400 135.436 -12.6595 -37.694 -12.6592 230.035 -169.8 -37.6947 -169.8 -107.536 GPRESSURE: 246400 205.924 91.2218 14.9659 13.9607 156.858 -211.69 -111.048 -82.5127 -34.9357 PRESSAVG: 246400 -68.3967 -26.9802 -1.12946 -26.9802 39.6733 -6.49053 -1.12952 -6.49058 22.7028 GPRESSAVG: 246400 -68.6149 -28.2052 0.860707 -27.8855 38.8692 -7.36823 -3.71036 -6.09889 23.9806 TIMING: 246400 CPU: 783.289, 0.00313765/step Wall: 783.289, 0.00313765/step, 4.14309 hours remaining, 231.324219 MB of memory in use. ENERGY: 246400 3968.2406 20629.9242 14506.4843 247.1268 -203710.2235 2612.4802 0.0000 0.0000 51983.7849 -109762.1825 298.7515 -161745.9674 -109406.9175 298.7106 85.9784 109.2818 759619.5418 -2.0068 -1.9217 PRESSURE: 246600 -168.17 -65.9352 49.5178 -65.9359 77.2342 302.455 49.5178 302.455 -84.7304 GPRESSURE: 246600 -200.729 -37.8176 38.759 -74.4576 176.311 277.927 121.641 411.98 -84.8898 PRESSAVG: 246600 -66.9153 8.41809 -6.98066 8.41804 75.2495 25.202 -6.98061 25.202 20.4965 GPRESSAVG: 246600 -65.4455 7.29885 -8.41746 11.1162 74.8635 24.8179 -6.82417 27.0128 19.3264 TIMING: 246600 CPU: 783.916, 0.00313415/step Wall: 783.916, 0.00313415/step, 4.1383 hours remaining, 231.324219 MB of memory in use. ENERGY: 246600 4030.4193 20603.1154 14477.2440 239.2996 -203603.0193 2523.3248 0.0000 0.0000 51790.1986 -109939.4176 297.6390 -161729.6162 -109580.8908 298.9077 -58.5555 -36.4357 761101.2353 9.6102 9.5815 PRESSURE: 246800 -161.992 90.7965 47.7053 90.7972 -59.0419 12.8598 47.7068 12.8601 -96.2784 GPRESSURE: 246800 -114.588 -19.6779 -18.6743 37.8424 -0.138696 30.6084 81.6696 30.2643 -104.068 PRESSAVG: 246800 -51.3227 -29.1943 -52.0343 -29.1943 13.7763 18.1673 -52.0343 18.1673 -17.3725 GPRESSAVG: 246800 -50.6738 -27.6693 -53.0099 -30.924 14.0208 17.7806 -51.0246 20.277 -18.3483 TIMING: 246800 CPU: 784.546, 0.00314792/step Wall: 784.546, 0.00314792/step, 4.15631 hours remaining, 231.324219 MB of memory in use. ENERGY: 246800 4002.3993 20459.1356 14452.4233 258.2684 -203446.6909 2445.3560 0.0000 0.0000 52107.0743 -109722.0341 299.4601 -161829.1084 -109362.0182 298.5951 -105.7708 -72.9315 762171.1126 -18.3063 -18.3338 PRESSURE: 247000 -373.598 52.8876 -3.64799 52.8871 138.762 77.4911 -3.6478 77.4906 45.2763 GPRESSURE: 247000 -353.97 121.452 -59.1944 -35.3417 171.848 17.4129 25.698 29.032 79.9339 PRESSAVG: 247000 -13.3288 -31.5111 -18.7238 -31.5111 46.1983 30.5086 -18.7239 30.5086 35.5431 GPRESSAVG: 247000 -14.7219 -31.798 -18.1494 -31.1776 46.0309 29.7967 -17.426 29.0994 36.9276 TIMING: 247000 CPU: 785.176, 0.00315437/step Wall: 785.176, 0.00315437/step, 4.16465 hours remaining, 231.324219 MB of memory in use. ENERGY: 247000 4014.7124 20369.1820 14452.2427 251.1659 -203761.3524 2644.8398 0.0000 0.0000 52058.7641 -109970.4456 299.1824 -162029.2096 -109600.4161 298.9113 -63.1866 -34.0628 760073.8610 22.8042 22.7455 PRESSURE: 247200 113.004 -79.8076 -18.934 -79.8073 -214.271 76.0911 -18.9346 76.0917 36.7378 GPRESSURE: 247200 75.7199 2.77963 -118.399 -117.449 -110.332 109.355 7.62105 51.692 72.2524 PRESSAVG: 247200 -46.1398 36.5593 4.53917 36.5594 100.149 21.1529 4.53919 21.1529 -6.71141 GPRESSAVG: 247200 -46.182 36.8705 1.84554 35.6377 99.8386 24.6961 7.02026 19.2842 -6.21978 TIMING: 247200 CPU: 785.808, 0.00315826/step Wall: 785.808, 0.00315826/step, 4.16961 hours remaining, 231.324219 MB of memory in use. ENERGY: 247200 3950.9575 20328.6435 14568.8457 247.6664 -203266.2845 2324.8468 0.0000 0.0000 52029.2740 -109816.0505 299.0130 -161845.3246 -109447.3426 298.5227 -21.5097 12.5467 759320.6745 15.7661 15.8123 PRESSURE: 247400 -134.605 -167.858 -38.5918 -167.858 -221.59 27.073 -38.5923 27.0729 -148.537 GPRESSURE: 247400 -192.104 -55.0617 -76.3341 -122.575 -113.9 47.8279 22.3956 28.702 -109.738 PRESSAVG: 247400 18.7932 16.4646 12.0323 16.4646 -11.5214 0.50332 12.0323 0.503326 1.5392 GPRESSAVG: 247400 18.1018 14.8463 13.734 18.4349 -9.8529 -1.63528 8.96439 2.52177 0.582723 TIMING: 247400 CPU: 786.44, 0.00315917/step Wall: 786.44, 0.00315917/step, 4.17063 hours remaining, 231.324219 MB of memory in use. ENERGY: 247400 4007.1731 20390.3135 14461.4189 252.4382 -203458.9857 2629.2395 0.0000 0.0000 52106.4175 -109611.9851 299.4563 -161718.4026 -109251.1213 298.9562 -168.2440 -138.5805 760550.2309 2.9370 2.9439 PRESSURE: 247600 79.7273 4.13076 87.292 4.13027 -392.647 147.15 87.2905 147.151 277.779 GPRESSURE: 247600 141.345 -85.8821 -31.7132 25.3694 -274.467 155.151 -40.5104 90.7751 190.045 PRESSAVG: 247600 92.2282 -16.05 -8.94242 -16.0499 -106.675 26.411 -8.94241 26.4109 0.485919 GPRESSAVG: 247600 93.1385 -16.4789 -7.89924 -17.177 -107.875 26.9283 -10.8004 25.319 1.16049 TIMING: 247600 CPU: 787.067, 0.00313764/step Wall: 787.067, 0.00313764/step, 4.14204 hours remaining, 231.324219 MB of memory in use. ENERGY: 247600 4014.7066 20399.1729 14535.5940 227.8096 -203649.2470 2627.1753 0.0000 0.0000 52159.6429 -109685.1457 299.7622 -161844.7886 -109323.7557 299.3791 -11.7135 18.9742 760442.7715 -4.6535 -4.5254 PRESSURE: 247800 290.092 30.9642 -79.2357 30.9645 158.447 -129.201 -79.2362 -129.2 -14.3009 GPRESSURE: 247800 333.38 30.8796 -49.3629 4.95269 177.152 -126.748 -78.9894 82.4169 -12.674 PRESSAVG: 247800 5.18214 -20.3652 30.4582 -20.3652 1.55252 16.2196 30.4581 16.2197 14.5985 GPRESSAVG: 247800 5.02729 -18.9671 30.4255 -20.4823 1.53256 16.8996 30.8792 15.9574 14.9259 TIMING: 247800 CPU: 787.697, 0.00314819/step Wall: 787.697, 0.00314819/step, 4.15578 hours remaining, 231.324219 MB of memory in use. ENERGY: 247800 3959.8433 20365.6440 14489.8724 243.4196 -203225.5455 2413.8198 0.0000 0.0000 51860.2595 -109892.6869 298.0416 -161752.9464 -109531.5907 299.0465 144.7458 165.9525 759430.5888 7.1111 7.1619 PRESSURE: 248000 16.8535 49.1106 -178.225 49.1104 -129.244 -222.374 -178.225 -222.373 -3.12043 GPRESSURE: 248000 29.8431 92.0542 -190.879 100.247 -57.1878 -161.281 -29.3675 -163.9 -14.103 PRESSAVG: 248000 36.7545 5.84881 -23.8295 5.84881 -14.4269 -2.61236 -23.8295 -2.61233 -8.69065 GPRESSAVG: 248000 37.0876 5.47804 -26.2452 5.81183 -14.4879 -2.96091 -23.2816 -1.92461 -9.26543 TIMING: 248000 CPU: 788.327, 0.0031483/step Wall: 788.327, 0.0031483/step, 4.15576 hours remaining, 231.324219 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: 248000 4049.4113 20654.9179 14502.7038 232.7384 -203628.3501 2564.8491 0.0000 0.0000 51815.0029 -109808.7268 297.7815 -161623.7297 -109450.3446 299.2163 -38.5036 -13.8159 759551.7481 4.5456 4.4447 PRESSURE: 248200 131.741 50.1811 -126.588 50.1808 57.4524 59.8571 -126.588 59.856 -0.8146 GPRESSURE: 248200 187.984 -8.6638 -156.095 96.7473 61.8202 -2.75504 -47.5759 -25.2632 19.835 PRESSAVG: 248200 -51.7992 -4.46048 -19.62 -4.46054 38.456 14.0016 -19.62 14.0015 28.039 GPRESSAVG: 248200 -50.2007 -6.27563 -18.461 -3.72285 37.946 15.206 -18.2752 13.519 27.317 TIMING: 248200 CPU: 788.958, 0.00315701/step Wall: 788.958, 0.00315701/step, 4.16708 hours remaining, 231.324219 MB of memory in use. ENERGY: 248200 3998.6437 20403.1797 14469.9909 255.7304 -203202.9217 2203.0061 0.0000 0.0000 52090.7521 -109781.6188 299.3663 -161872.3709 -109418.5024 298.8331 62.7928 89.8796 760798.7843 4.8986 5.0208 LDB: ============= START OF LOAD BALANCING ============== 801.38 LDB: ============== END OF LOAD BALANCING =============== 801.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 801.382 LDB: ============= START OF LOAD BALANCING ============== 801.697 LDB: Largest compute 7073 load 0.034321 is 17.6% of average load 0.194881 LDB: Average compute 0.004424 is 2.3% of average load 0.194881 LDB: TIME 801.701 LOAD: AVG 0.194881 MAX 0.211696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.668 MB LDB: TIME 801.701 LOAD: AVG 0.194881 MAX 0.211696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.738 MB LDB: TIME 801.701 LOAD: AVG 0.194881 MAX 0.211696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.738 MB LDB: ============== END OF LOAD BALANCING =============== 801.703 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 801.708 PRESSURE: 248400 231.98 130.905 185.747 130.904 -7.73356 125.272 185.747 125.272 -36.5253 GPRESSURE: 248400 178.318 154.168 147.385 71.2861 116.599 119.807 15.8977 51.7813 -21.6012 PRESSAVG: 248400 43.5236 4.63826 2.83891 4.63837 -34.0595 29.9391 2.83887 29.9391 -1.58997 GPRESSAVG: 248400 42.4958 6.34762 3.01451 4.73715 -34.1926 29.7486 1.19916 29.2342 -0.520008 TIMING: 248400 CPU: 789.602, 0.00321864/step Wall: 789.602, 0.00321864/step, 4.24824 hours remaining, 229.773438 MB of memory in use. ENERGY: 248400 3954.4701 20595.9294 14458.6456 249.1501 -203548.1094 2488.2740 0.0000 0.0000 52127.0856 -109674.5547 299.5751 -161801.6402 -109320.4297 299.0354 62.5737 91.1054 760179.0575 2.6247 2.5944 PRESSURE: 248600 -222.811 -130.122 -20.1652 -130.122 14.6504 145.547 -20.1656 145.547 154.571 GPRESSURE: 248600 -145.424 -139.066 -47.6561 -40.2842 -52.684 116.187 -9.47896 217.336 226.216 PRESSAVG: 248600 32.5519 41.7576 22.9561 41.7575 -30.7537 28.6486 22.9562 28.6486 -10.859 GPRESSAVG: 248600 32.793 39.5335 24.1153 43.8285 -30.9702 26.944 22.2637 28.4227 -11.6705 TIMING: 248600 CPU: 790.233, 0.00315701/step Wall: 790.233, 0.00315701/step, 4.16672 hours remaining, 230.031250 MB of memory in use. ENERGY: 248600 3932.1637 20493.8602 14504.0493 247.7469 -203660.6472 2626.6226 0.0000 0.0000 52138.9658 -109717.2386 299.6434 -161856.2044 -109357.6222 299.0274 -17.8631 9.3694 760244.2951 -3.0202 -3.2826 PRESSURE: 248800 -114.078 -115.399 105.989 -115.399 -267.222 -31.5442 105.989 -31.5449 -209.015 GPRESSURE: 248800 -117.756 -164.291 111.916 -39.5283 -219.188 -97.9628 40.3572 37.5872 -145.74 PRESSAVG: 248800 63.8113 6.54168 -19.0628 6.54171 -14.3608 -22.1132 -19.0628 -22.1131 11.6243 GPRESSAVG: 248800 62.8618 9.74625 -19.185 4.24275 -13.1295 -20.9859 -17.4118 -20.8281 11.8063 TIMING: 248800 CPU: 790.864, 0.00315496/step Wall: 790.864, 0.00315496/step, 4.16385 hours remaining, 230.031250 MB of memory in use. ENERGY: 248800 3994.5494 20525.3203 14538.7487 236.5974 -203620.9764 2517.5947 0.0000 0.0000 52103.9006 -109704.2654 299.4418 -161808.1659 -109337.9376 298.8933 -196.7715 -160.8949 760015.6350 20.3583 20.5129 PRESSURE: 249000 -85.5997 -76.4139 -135.02 -76.4143 -83.1831 -187.898 -135.019 -187.897 57.3114 GPRESSURE: 249000 -63.013 210.566 -93.5135 -16.5776 -11.8655 -273.394 -65.1223 -153.411 46.3272 PRESSAVG: 249000 49.7987 -13.4868 4.58679 -13.4868 -47.2917 -28.1497 4.58679 -28.1498 13.5466 GPRESSAVG: 249000 49.6683 -14.1869 3.96712 -12.726 -46.2581 -29.9199 4.2653 -29.5755 13.2455 TIMING: 249000 CPU: 791.49, 0.00312623/step Wall: 791.49, 0.00312623/step, 4.12575 hours remaining, 230.031250 MB of memory in use. ENERGY: 249000 3971.9351 20711.9919 14585.1499 251.7633 -203487.1325 2534.4176 0.0000 0.0000 51996.8595 -109435.0152 298.8267 -161431.8748 -109091.6503 299.8173 -37.1571 -9.5171 759856.9935 5.3512 5.5519 PRESSURE: 249200 404.17 32.9879 72.4324 32.9878 20.2074 -150.302 72.4326 -150.302 230.419 GPRESSURE: 249200 295.512 -38.0955 96.6948 59.2872 131.91 -180.317 -32.5089 -74.7846 297.112 PRESSAVG: 249200 27.1699 -7.11384 2.84692 -7.11391 -56.252 17.6455 2.84688 17.6456 -30.691 GPRESSAVG: 249200 26.0219 -7.32717 1.13669 -8.22615 -56.0371 18.355 2.73862 19.4467 -29.7399 TIMING: 249200 CPU: 792.124, 0.00317263/step Wall: 792.124, 0.00317263/step, 4.18682 hours remaining, 230.031250 MB of memory in use. ENERGY: 249200 3958.8088 20446.4493 14522.4535 248.7643 -203655.1862 2695.4180 0.0000 0.0000 52072.6530 -109710.6393 299.2623 -161783.2923 -109338.6839 299.6528 218.2653 241.5114 759980.0172 -19.9244 -19.9184 PRESSURE: 249400 33.6118 45.3545 82.7481 45.3545 213.654 -28.2493 82.7493 -28.249 -108.348 GPRESSURE: 249400 139.513 134.088 57.53 30.6134 219.455 6.3746 50.2146 -81.877 -123.466 PRESSAVG: 249400 48.5038 -26.7344 -0.933666 -26.7344 -74.4646 7.16882 -0.933738 7.16883 -8.79275 GPRESSAVG: 249400 48.9475 -29.0315 0.0449375 -25.1042 -74.8531 5.51643 -1.39365 7.39911 -8.38252 TIMING: 249400 CPU: 792.753, 0.00314631/step Wall: 792.753, 0.00314631/step, 4.15191 hours remaining, 230.031250 MB of memory in use. ENERGY: 249400 4053.8108 20512.0797 14540.8051 247.9290 -203563.0182 2444.9781 0.0000 0.0000 52238.2667 -109525.1488 300.2140 -161763.4155 -109156.7839 299.7958 46.3058 78.5007 758635.1108 -11.5845 -11.4294 PRESSURE: 249600 280.921 -37.4603 -90.8411 -37.4596 -159.761 157.774 -90.8406 157.774 20.4347 GPRESSURE: 249600 325.259 -42.8287 -146.483 -123.856 -43.0363 193.189 -202.092 77.9586 -52.7235 PRESSAVG: 249600 47.4656 2.21061 0.599243 2.21053 -44.1541 38.3636 0.599179 38.3636 13.3148 GPRESSAVG: 249600 47.9003 5.02243 1.02334 2.48995 -44.2589 38.8168 -0.304774 37.0121 12.9529 TIMING: 249600 CPU: 793.381, 0.00314032/step Wall: 793.381, 0.00314032/step, 4.14382 hours remaining, 230.031250 MB of memory in use. ENERGY: 249600 3936.8550 20485.3441 14608.7420 229.7414 -203860.7421 2588.5768 0.0000 0.0000 52330.6203 -109680.8625 300.7448 -162011.4827 -109307.3637 300.0793 47.1984 76.4996 757458.7867 5.5421 5.5314 PRESSURE: 249800 -112.365 77.5294 141.696 77.5284 -178.733 -125.324 141.695 -125.323 -106.464 GPRESSURE: 249800 34.2427 106.823 143.013 92.7061 -269.804 -131.756 58.0052 -41.6111 -74.7082 PRESSAVG: 249800 60.6528 -9.63177 17.6241 -9.63172 -33.9984 -34.1278 17.624 -34.1277 2.32257 GPRESSAVG: 249800 61.4651 -9.40308 17.429 -10.4298 -35.6835 -33.1602 17.8667 -34.0625 2.44586 TIMING: 249800 CPU: 794.014, 0.00316265/step Wall: 794.014, 0.00316265/step, 4.17312 hours remaining, 230.031250 MB of memory in use. ENERGY: 249800 3924.3029 20579.7776 14503.6770 243.5459 -203463.1262 2333.2374 0.0000 0.0000 52202.6732 -109675.9122 300.0095 -161878.5855 -109312.7118 300.0200 -132.5205 -103.4231 757776.2935 9.6590 9.4092 PRESSURE: 250000 -444.945 -107.408 -246.118 -107.408 -75.0679 -0.763308 -246.118 -0.763139 433.2 GPRESSURE: 250000 -311.806 -181.578 -248.061 -148.352 -81.3874 15.0388 -108.496 -42.2833 412.736 PRESSAVG: 250000 46.7617 18.9723 -31.5154 18.9723 -37.0194 50.9213 -31.5154 50.9214 32.4773 GPRESSAVG: 250000 45.5835 16.4369 -31.2008 19.6045 -36.5133 51.1058 -29.1864 53.5022 33.4607 TIMING: 250000 CPU: 794.649, 0.00317737/step Wall: 794.649, 0.00317737/step, 4.19236 hours remaining, 230.031250 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: 250000 3989.1416 20372.2768 14498.3246 230.0145 -203215.1542 2246.1797 0.0000 0.0000 52113.9657 -109765.2513 299.4997 -161879.2170 -109399.4696 299.4555 -28.9377 6.5141 758140.4603 14.0732 14.1770 PRESSURE: 250200 -170.755 22.3267 64.9904 22.3263 47.3295 18.5581 64.9901 18.5578 -481.8 GPRESSURE: 250200 -169.767 86.6308 -25.3884 103.312 92.486 76.5752 22.9103 32.1921 -422.766 PRESSAVG: 250200 -8.50618 -5.9056 29.9731 -5.9056 38.8079 25.6741 29.9731 25.6741 -19.8644 GPRESSAVG: 250200 -7.9203 -5.18044 28.456 -7.75826 38.9697 27.8243 29.056 22.9489 -20.8609 TIMING: 250200 CPU: 795.286, 0.00318364/step Wall: 795.286, 0.00318364/step, 4.20046 hours remaining, 230.031250 MB of memory in use. ENERGY: 250200 3971.8446 20383.0445 14560.2045 258.6699 -203063.6016 2224.9589 0.0000 0.0000 51937.0758 -109727.8035 298.4831 -161664.8792 -109363.5138 299.1840 -201.7419 -166.6824 758859.7528 3.4791 3.3962 PRESSURE: 250400 139.863 199.975 -211.246 199.975 -9.45151 128.102 -211.245 128.102 1.9602 GPRESSURE: 250400 284.937 209.765 -98.4822 170.768 -45.0297 256.277 -226.841 17.4791 -23.1175 PRESSAVG: 250400 -34.3907 -13.4565 2.60952 -13.4564 -0.310648 32.352 2.6095 32.352 27.333 GPRESSAVG: 250400 -34.7337 -12.4344 2.22869 -12.3728 0.173374 29.9479 2.88674 32.1001 26.9177 TIMING: 250400 CPU: 795.915, 0.00314336/step Wall: 795.915, 0.00314336/step, 4.14714 hours remaining, 230.031250 MB of memory in use. ENERGY: 250400 3935.4327 20593.3765 14493.2043 243.6579 -203369.8000 2384.6794 0.0000 0.0000 52050.4619 -109668.9873 299.1347 -161719.4492 -109316.9113 299.1884 44.1238 72.2633 759365.4207 -2.4561 -2.5475 PRESSURE: 250600 -193.478 -11.2512 -147.034 -11.2512 -70.3857 -12.7919 -147.034 -12.7911 393.566 GPRESSURE: 250600 90.1651 7.37217 -158.134 29.8611 -154.954 -12.7604 -92.0189 -6.94913 266.837 PRESSAVG: 250600 9.97168 18.858 -22.9136 18.8579 -39.6797 -0.659877 -22.9136 -0.659902 7.16017 GPRESSAVG: 250600 10.9474 19.1631 -22.1309 18.1805 -40.8183 -0.0209659 -23.3685 0.200073 7.20266 TIMING: 250600 CPU: 796.543, 0.00314201/step Wall: 796.543, 0.00314201/step, 4.14519 hours remaining, 230.031250 MB of memory in use. ENERGY: 250600 3964.5309 20444.6485 14527.3841 237.6095 -203277.1221 2461.1367 0.0000 0.0000 52166.4202 -109475.3922 299.8011 -161641.8124 -109111.9782 299.0995 43.2342 67.3492 760586.4126 -7.5159 -7.5561 PRESSURE: 250800 643.602 31.102 59.5267 31.1021 123.135 -20.2714 59.5266 -20.2699 -6.73612 GPRESSURE: 250800 672.206 22.2499 -19.5272 92.2348 167.293 -10.045 18.6303 175.49 11.8782 PRESSAVG: 250800 14.5484 -17.3022 -5.38884 -17.3022 4.31554 18.0422 -5.38889 18.0422 2.08846 GPRESSAVG: 250800 14.0681 -15.7839 -5.82176 -16.8644 4.65692 19.9551 -6.67788 18.9194 1.87709 TIMING: 250800 CPU: 797.173, 0.00315075/step Wall: 797.173, 0.00315075/step, 4.15655 hours remaining, 230.031250 MB of memory in use. ENERGY: 250800 4001.8825 20516.0353 14549.5948 243.9489 -203721.3160 2548.6391 0.0000 0.0000 52654.7631 -109206.4523 302.6076 -161861.2154 -108841.0042 300.6025 253.3337 283.7926 758443.2023 6.9841 6.8674 PRESSURE: 251000 -344.981 30.0832 -189.679 30.0833 -50.1224 -101.577 -189.678 -101.577 -221.938 GPRESSURE: 251000 -292.061 114.475 -166.361 -52.0616 13.4224 -47.4962 -93.6655 -110.861 -235.817 PRESSAVG: 251000 30.3648 11.6897 37.4283 11.6896 -12.0225 35.6793 37.4283 35.6793 15.4228 GPRESSAVG: 251000 29.1599 11.534 37.8715 12.825 -12.3256 35.0259 39.3888 33.9569 16.9781 TIMING: 251000 CPU: 797.8, 0.00313288/step Wall: 797.8, 0.00313288/step, 4.13279 hours remaining, 230.031250 MB of memory in use. ENERGY: 251000 4032.3403 20623.5252 14506.0509 238.4422 -202914.4146 1970.9560 0.0000 0.0000 52201.6945 -109341.4055 300.0039 -161543.1000 -108977.2995 300.8723 -205.6806 -171.4850 758353.5967 11.2550 11.2708 PRESSURE: 251200 -97.6921 -128.38 -36.4264 -128.38 59.0556 106.705 -36.4265 106.704 164.565 GPRESSURE: 251200 -133.579 -87.7632 -74.2982 -244.335 138.693 132.277 12.8284 145.318 194.076 PRESSAVG: 251200 62.0443 1.6626 -5.49796 1.66261 -59.769 -4.32834 -5.49791 -4.32829 6.08616 GPRESSAVG: 251200 61.6786 0.387367 -5.44026 1.63426 -58.0928 -4.89527 -5.37068 -4.72021 5.3242 TIMING: 251200 CPU: 798.432, 0.00315967/step Wall: 798.432, 0.00315967/step, 4.16796 hours remaining, 230.031250 MB of memory in use. ENERGY: 251200 3932.8197 20416.8616 14436.1289 241.9698 -203393.0944 2508.1290 0.0000 0.0000 52326.8546 -109530.3307 300.7232 -161857.1854 -109169.0754 300.1082 41.9763 66.3967 757940.7139 2.7872 2.9700 PRESSURE: 251400 -95.0926 55.2568 281.795 55.2565 -189.316 109.189 281.795 109.189 -127.634 GPRESSURE: 251400 13.375 52.8295 207.48 130.273 -232.014 139.379 376.801 84.4327 -109.047 PRESSAVG: 251400 41.6429 -5.81694 -15.6152 -5.81699 -74.2564 18.6378 -15.6151 18.6378 -3.02474 GPRESSAVG: 251400 41.8041 -5.39722 -14.9552 -5.76176 -74.1794 18.0888 -17.1261 21.0528 -3.98628 TIMING: 251400 CPU: 799.063, 0.00315603/step Wall: 799.063, 0.00315603/step, 4.16298 hours remaining, 230.031250 MB of memory in use. ENERGY: 251400 3995.8111 20543.5531 14417.1967 241.9603 -203429.6921 2382.8620 0.0000 0.0000 52358.2185 -109490.0905 300.9034 -161848.3090 -109131.2045 299.5546 -137.3474 -109.2288 759702.3872 -11.8794 -12.1205 PRESSURE: 251600 281.687 166.627 -71.5053 166.627 337.803 22.7567 -71.5056 22.7564 -100.152 GPRESSURE: 251600 306.345 7.3874 -32.8365 230.306 352.244 -4.35687 110.315 -65.4734 -31.817 PRESSAVG: 251600 37.3455 1.39845 -39.6923 1.39841 -28.5442 -0.316915 -39.6923 -0.316954 11.3813 GPRESSAVG: 251600 37.9087 1.84542 -40.8073 0.329712 -29.4383 -1.80349 -38.3524 -3.08031 11.8781 TIMING: 251600 CPU: 799.694, 0.00315399/step Wall: 799.694, 0.00315399/step, 4.16011 hours remaining, 230.031250 MB of memory in use. ENERGY: 251600 3995.9908 20325.6295 14486.7370 252.9046 -203099.2588 2437.1547 0.0000 0.0000 52007.0760 -109593.7661 298.8854 -161600.8421 -109228.1999 299.4434 173.1127 208.9240 759503.8353 6.7276 6.7828 PRESSURE: 251800 85.522 -175.647 30.8053 -175.648 84.0694 -163.204 30.8056 -163.204 232.976 GPRESSURE: 251800 159.318 -148.114 118.147 -88.4967 108.932 -160.166 -46.252 -21.2379 218.114 PRESSAVG: 251800 26.781 -45.2421 -20.5116 -45.242 -10.8904 -2.62057 -20.5115 -2.62057 10.7158 GPRESSAVG: 251800 25.9694 -47.0476 -20.7953 -43.0614 -11.2148 -2.39981 -21.6591 -0.245754 11.6758 TIMING: 251800 CPU: 800.325, 0.00315384/step Wall: 800.325, 0.00315384/step, 4.15974 hours remaining, 230.089844 MB of memory in use. ENERGY: 251800 4020.9923 20411.0093 14514.4783 254.7049 -203258.4177 2367.0656 0.0000 0.0000 51934.7398 -109755.4277 298.4697 -161690.1675 -109391.4512 298.9847 134.1891 162.1212 758377.1971 8.8688 8.8101 PRESSURE: 252000 -242.856 -20.5562 33.9272 -20.5561 -104.168 36.9777 33.9266 36.9778 -330.45 GPRESSURE: 252000 -188.128 46.8066 13.0416 -163.397 -110.279 -34.6072 25.5226 141.63 -281.12 PRESSAVG: 252000 69.2497 -36.5213 -12.7763 -36.5213 -86.3346 -24.66 -12.7762 -24.66 -12.0566 GPRESSAVG: 252000 68.7128 -36.4884 -11.3706 -38.0829 -85.9186 -23.4152 -13.5723 -26.2062 -12.0088 TIMING: 252000 CPU: 800.956, 0.00315541/step Wall: 800.956, 0.00315541/step, 4.16163 hours remaining, 230.089844 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: 252000 3995.2889 20527.0061 14518.0377 236.0916 -203011.5637 2175.1042 0.0000 0.0000 51855.6262 -109704.4090 298.0150 -161560.0352 -109353.8772 298.6962 -225.8246 -193.1758 758644.6570 -9.7138 -9.7382 PRESSURE: 252200 62.6546 -12.2186 108.376 -12.2184 199.207 -59.2631 108.376 -59.2632 596.282 GPRESSURE: 252200 133.038 -138.163 141.786 -18.9098 327.115 -37.1978 31.1973 -38.393 493.566 PRESSAVG: 252200 31.2314 -77.5312 57.1426 -77.5312 -7.44555 -27.5709 57.1426 -27.571 18.1297 GPRESSAVG: 252200 33.4425 -75.9253 57.2284 -77.2279 -7.63898 -28.1343 58.1308 -27.0972 16.0068 TIMING: 252200 CPU: 801.588, 0.00315933/step Wall: 801.588, 0.00315933/step, 4.16663 hours remaining, 230.089844 MB of memory in use. ENERGY: 252200 4017.8598 20423.3570 14420.1596 236.2437 -203304.2532 2446.9052 0.0000 0.0000 51804.7027 -109955.0253 297.7223 -161759.7279 -109592.7290 298.6279 286.0481 317.9063 758007.5678 13.9719 13.9368 LDB: ============= START OF LOAD BALANCING ============== 814.01 LDB: ============== END OF LOAD BALANCING =============== 814.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 814.012 LDB: ============= START OF LOAD BALANCING ============== 814.333 LDB: Largest compute 7034 load 0.035361 is 18.1% of average load 0.194843 LDB: Average compute 0.004425 is 2.3% of average load 0.194843 LDB: TIME 814.337 LOAD: AVG 0.194843 MAX 0.212241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.547 MB LDB: TIME 814.337 LOAD: AVG 0.194843 MAX 0.212241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.547 MB LDB: TIME 814.337 LOAD: AVG 0.194843 MAX 0.212241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.547 MB LDB: ============== END OF LOAD BALANCING =============== 814.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 814.344 PRESSURE: 252400 -13.39 123.362 -42.4586 123.363 208.142 -157.528 -42.4586 -157.527 218.345 GPRESSURE: 252400 79.776 237.913 -176.249 45.4926 190.62 -73.165 62.5882 -228.226 238.736 PRESSAVG: 252400 63.4185 -27.378 6.96873 -27.3781 -14.8854 40.9279 6.96872 40.9278 -1.37382 GPRESSAVG: 252400 61.6634 -26.415 7.27088 -28.7842 -15.1025 42.7389 6.24007 39.5354 0.531697 TIMING: 252400 CPU: 802.238, 0.00325398/step Wall: 802.238, 0.00325398/step, 4.29128 hours remaining, 231.316406 MB of memory in use. ENERGY: 252400 3929.0073 20308.7792 14478.1656 234.3560 -203503.5880 2474.7521 0.0000 0.0000 52261.2557 -109817.2719 300.3462 -162078.5276 -109445.5192 298.5173 137.6992 169.7109 757936.0620 15.7197 15.6976 PRESSURE: 252600 59.2979 37.4485 -51.0876 37.4476 -94.0584 264.775 -51.0879 264.774 444.987 GPRESSURE: 252600 105.46 -100.117 -23.5576 -2.64692 -113.98 369.48 -99.5328 180.249 505.375 PRESSAVG: 252600 38.7203 -18.6869 -42.9212 -18.6869 -58.3654 20.48 -42.9212 20.48 -5.24074 GPRESSAVG: 252600 38.8082 -19.1978 -43.4114 -17.3879 -59.6576 19.4446 -44.3952 20.0831 -4.53627 TIMING: 252600 CPU: 802.878, 0.00319938/step Wall: 802.878, 0.00319938/step, 4.2191 hours remaining, 231.519531 MB of memory in use. ENERGY: 252600 3940.8729 20458.0117 14476.0132 231.4370 -203413.4455 2456.4294 0.0000 0.0000 51798.7270 -110051.9542 297.6880 -161850.6813 -109696.5234 298.5656 136.7422 165.6185 760641.0263 -8.2953 -8.4619 PRESSURE: 252800 -60.5425 90.3756 -244.463 90.3763 77.6238 58.1918 -244.463 58.1923 364.504 GPRESSURE: 252800 -58.8113 23.4542 -190.767 23.0218 143.857 132.22 -219.901 -59.9968 384.729 PRESSAVG: 252800 23.2514 -22.5313 -41.5466 -22.5313 -20.9012 12.0984 -41.5466 12.0984 4.99231 GPRESSAVG: 252800 23.3444 -24.9608 -43.7659 -21.6662 -19.1497 11.3251 -40.0588 11.5236 3.1363 TIMING: 252800 CPU: 803.508, 0.00315079/step Wall: 803.508, 0.00315079/step, 4.15484 hours remaining, 231.519531 MB of memory in use. ENERGY: 252800 3993.2399 20268.3844 14480.5520 256.1255 -203677.8368 2626.5446 0.0000 0.0000 52091.7195 -109961.2708 299.3718 -162052.9904 -109605.0131 298.1934 127.1952 156.5918 758333.9372 2.4475 2.4437 PRESSURE: 253000 463.337 141.655 137.359 141.655 -14.8646 27.3491 137.359 27.3479 -64.117 GPRESSURE: 253000 494.485 92.6981 250.438 16.9111 21.0793 -40.5467 92.6681 74.7159 -38.5866 PRESSAVG: 253000 38.6667 55.6625 -11.7384 55.6625 -7.73389 14.256 -11.7385 14.256 1.90101 GPRESSAVG: 253000 37.7488 54.8383 -8.65852 55.8234 -8.30722 14.0082 -11.7102 16.9358 3.56371 TIMING: 253000 CPU: 804.138, 0.00314998/step Wall: 804.138, 0.00314998/step, 4.1536 hours remaining, 231.519531 MB of memory in use. ENERGY: 253000 3935.3752 20295.7065 14498.8134 242.7547 -203153.3786 2325.6320 0.0000 0.0000 51959.7937 -109895.3032 298.6136 -161855.0969 -109527.7414 298.8461 128.1186 158.9925 759578.2973 10.9446 11.0018 PRESSURE: 253200 -244.181 13.4365 133.637 13.4366 -139.066 -230.684 133.636 -230.683 -534.434 GPRESSURE: 253200 -277.389 -105.525 204.508 -59.8004 -170.923 -216.57 113.994 -153.299 -364.958 PRESSAVG: 253200 28.892 -35.3772 40.3756 -35.3771 -30.0955 23.3022 40.3756 23.3022 8.6021 GPRESSAVG: 253200 29.9011 -34.8973 38.7989 -36.4209 -29.6869 24.5228 41.585 21.3264 7.44009 TIMING: 253200 CPU: 804.766, 0.00313604/step Wall: 804.766, 0.00313604/step, 4.13504 hours remaining, 231.519531 MB of memory in use. ENERGY: 253200 4078.8390 20374.6768 14539.7391 244.2475 -203170.5270 2138.9480 0.0000 0.0000 51930.0177 -109864.0590 298.4425 -161794.0767 -109509.3535 298.5737 -305.8938 -271.0901 760790.2473 2.4662 2.5514 PRESSURE: 253400 299.309 -84.624 -166.031 -84.6253 -21.321 -135.111 -166.031 -135.112 -106.707 GPRESSURE: 253400 207.35 -20.267 -140.97 -148.236 136.733 -144.876 -34.1804 26.9962 -87.2204 PRESSAVG: 253400 94.929 -64.7884 29.7785 -64.7884 -86.3954 -19.1403 29.7784 -19.1402 -4.73849 GPRESSAVG: 253400 94.2562 -64.304 28.5803 -65.7144 -85.7139 -18.8741 29.9657 -18.4321 -4.51436 TIMING: 253400 CPU: 805.393, 0.00313873/step Wall: 805.393, 0.00313873/step, 4.13841 hours remaining, 231.519531 MB of memory in use. ENERGY: 253400 4000.8312 20531.7292 14516.9143 239.7731 -204083.7256 2804.5500 0.0000 0.0000 51978.4134 -110011.5144 298.7207 -161989.9278 -109644.3334 298.4122 57.0936 85.6210 759590.5372 1.2650 1.3427 PRESSURE: 253600 -309.668 19.3149 -37.8617 19.3159 -289.884 122.763 -37.862 122.764 -8.83627 GPRESSURE: 253600 -196.429 128.378 40.2288 -84.102 -382.958 164.762 67.347 80.5162 41.269 PRESSAVG: 253600 -12.6934 -47.8977 10.7801 -47.8977 -51.5593 -34.2444 10.7801 -34.2444 9.96094 GPRESSAVG: 253600 -12.0773 -47.8565 12.1615 -47.7145 -51.6292 -34.7782 10.2988 -33.3515 9.17724 TIMING: 253600 CPU: 806.023, 0.00315079/step Wall: 806.023, 0.00315079/step, 4.15414 hours remaining, 231.519531 MB of memory in use. ENERGY: 253600 3949.7825 20414.1791 14531.8808 228.2621 -203083.1958 1996.8127 0.0000 0.0000 51934.0390 -110028.2397 298.4656 -161962.2786 -109667.3962 298.4680 -202.7960 -179.3729 762200.9607 -18.0972 -18.1764 PRESSURE: 253800 381.301 -15.1181 -52.5431 -15.1171 131.846 85.1187 -52.5427 85.1172 265.545 GPRESSURE: 253800 347.241 -18.2196 -217.073 -9.74884 182.599 119.142 -82.9598 203.54 318.021 PRESSAVG: 253800 64.5088 -19.3999 -0.0947244 -19.3999 -24.6243 42.2114 -0.0948011 42.2113 -8.28858 GPRESSAVG: 253800 64.3903 -20.1111 -0.375113 -19.016 -25.74 42.4892 -1.33059 42.2544 -7.87803 TIMING: 253800 CPU: 806.651, 0.00313638/step Wall: 806.651, 0.00313638/step, 4.13497 hours remaining, 231.519531 MB of memory in use. ENERGY: 253800 3945.8553 20460.0107 14519.3074 263.1090 -204046.4320 2792.0882 0.0000 0.0000 52117.1701 -109948.8913 299.5181 -162066.0614 -109585.6479 298.2250 259.5637 282.6205 759634.3026 10.5320 10.2574 PRESSURE: 254000 155.286 -130.86 228.742 -130.86 273.577 100.121 228.742 100.123 193.566 GPRESSURE: 254000 223.673 -62.9835 292.052 -100.2 263.806 193.705 168.668 94.7447 210.249 PRESSAVG: 254000 -32.5137 -32.9526 21.1123 -32.9526 -18.1615 -6.70633 21.1124 -6.70636 -3.75707 GPRESSAVG: 254000 -32.7641 -30.4839 20.6844 -32.9836 -17.8763 -4.38804 21.5235 -7.78391 -4.21897 TIMING: 254000 CPU: 807.28, 0.00314395/step Wall: 807.28, 0.00314395/step, 4.14478 hours remaining, 231.519531 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: 254000 4002.9986 20519.5300 14479.4710 243.0429 -203745.3196 2644.6018 0.0000 0.0000 51975.7657 -109879.9096 298.7054 -161855.6753 -109519.5442 298.6014 207.4762 232.5760 760938.4841 -18.1441 -18.2865 PRESSURE: 254200 -183.899 -97.5024 -175.635 -97.5024 -99.1545 71.9342 -175.635 71.9346 -569.69 GPRESSURE: 254200 -105.485 -105.323 -179.617 -70.7269 -155.638 81.8059 -200.301 99.5174 -511.657 PRESSAVG: 254200 86.102 -16.1046 -7.45369 -16.1047 -62.9675 35.2028 -7.45363 35.2028 0.585569 GPRESSAVG: 254200 85.8483 -16.697 -5.58227 -17.1705 -62.511 34.8719 -6.93526 34.4684 0.563762 TIMING: 254200 CPU: 807.912, 0.00316202/step Wall: 807.912, 0.00316202/step, 4.16842 hours remaining, 231.519531 MB of memory in use. ENERGY: 254200 4021.2049 20613.3747 14523.7233 240.6793 -203625.6327 2437.0317 0.0000 0.0000 51988.6045 -109801.0142 298.7792 -161789.6188 -109438.5930 298.8855 -284.2479 -257.5932 760761.7630 7.9067 7.9670 PRESSURE: 254400 93.7309 55.5132 -337.222 55.5132 100.989 -178.033 -337.222 -178.033 106.135 GPRESSURE: 254400 53.2807 -57.102 -266.231 -8.61256 193.144 -204.365 -181.372 -123.165 140.494 PRESSAVG: 254400 27.613 8.10296 1.4706 8.10292 -21.6791 0.896281 1.4706 0.896205 -11.735 GPRESSAVG: 254400 27.8904 8.58043 1.09666 8.50726 -21.9824 -1.37193 0.540008 1.92761 -11.6001 TIMING: 254400 CPU: 808.544, 0.00315838/step Wall: 808.544, 0.00315838/step, 4.16344 hours remaining, 231.519531 MB of memory in use. ENERGY: 254400 3945.4623 20538.8547 14564.7279 224.0258 -203477.6322 2548.9487 0.0000 0.0000 51900.2002 -109755.4127 298.2712 -161655.6129 -109386.4117 299.0336 100.2848 128.9728 760046.2412 -1.9337 -1.8974 PRESSURE: 254600 -11.5764 256.759 70.2958 256.759 -76.131 99.8665 70.2956 99.866 86.7414 GPRESSURE: 254600 25.9658 161.698 75.2553 216.697 -9.45343 41.3531 124.279 56.3022 76.2107 PRESSAVG: 254600 6.97438 22.3446 28.609 22.3447 -42.0833 29.1124 28.609 29.1124 4.43913 GPRESSAVG: 254600 5.32764 20.5751 29.0943 22.3786 -41.2396 29.6776 29.7577 28.5367 4.89406 TIMING: 254600 CPU: 809.181, 0.00318649/step Wall: 809.181, 0.00318649/step, 4.20032 hours remaining, 231.519531 MB of memory in use. ENERGY: 254600 3949.3446 20435.1887 14429.8501 263.3546 -203712.6817 2513.9450 0.0000 0.0000 52195.8054 -109925.1933 299.9700 -162120.9987 -109553.2582 298.8377 -0.3220 30.9077 759212.4261 -10.2233 -10.3393 PRESSURE: 254800 77.9194 -36.4252 -127.26 -36.4253 -156.837 -330.301 -127.261 -330.302 -121.413 GPRESSURE: 254800 73.0593 -14.9256 -52.9996 5.88761 -149.717 -323.565 -145.349 -368.567 -53.1099 PRESSAVG: 254800 8.68984 3.94845 50.8578 3.94848 57.1848 24.1874 50.8577 24.1874 15.6963 GPRESSAVG: 254800 10.5897 4.92223 50.2224 3.03225 55.5437 24.8074 51.0289 25.1275 15.8704 TIMING: 254800 CPU: 809.814, 0.00316498/step Wall: 809.814, 0.00316498/step, 4.1718 hours remaining, 231.519531 MB of memory in use. ENERGY: 254800 3919.8019 20515.1584 14506.3710 246.9364 -203536.3318 2586.6148 0.0000 0.0000 52041.9479 -109719.5015 299.0858 -161761.4493 -109355.6797 298.7568 -66.7767 -43.2559 759931.1397 27.1903 27.3346 PRESSURE: 255000 -96.6224 32.0427 -164.113 32.043 15.7631 -62.7942 -164.114 -62.7953 -55.3993 GPRESSURE: 255000 -61.7401 -94.1729 -114.911 77.9486 60.3034 -51.1202 -89.5885 -20.3248 -40.0211 PRESSAVG: 255000 110.104 -37.9193 14.6655 -37.9193 -104.286 -45.2262 14.6655 -45.2262 22.6326 GPRESSAVG: 255000 109.073 -40.0935 14.2424 -36.4258 -102.357 -45.1254 12.9785 -46.6191 21.6476 TIMING: 255000 CPU: 810.445, 0.0031572/step Wall: 810.445, 0.0031572/step, 4.16137 hours remaining, 231.519531 MB of memory in use. ENERGY: 255000 3992.0139 20424.5145 14544.7013 255.1112 -203499.5462 2570.1407 0.0000 0.0000 52026.8814 -109686.1832 298.9992 -161713.0646 -109333.6962 299.3983 -45.4195 -13.8193 759469.8034 9.4835 9.4547 PRESSURE: 255200 278.505 -149.23 -180.113 -149.23 327.448 28.7447 -180.113 28.7439 615.047 GPRESSURE: 255200 237.152 -44.2425 -71.2628 -186.86 418.621 83.224 -18.3111 -3.30831 640.431 PRESSAVG: 255200 2.13758 -8.26507 -19.9528 -8.26507 1.49152 -4.12202 -19.9528 -4.122 5.70643 GPRESSAVG: 255200 2.46006 -7.01458 -19.47 -8.67305 1.27395 -4.50221 -20.6784 -3.38233 5.51444 TIMING: 255200 CPU: 811.078, 0.00316443/step Wall: 811.078, 0.00316443/step, 4.17072 hours remaining, 231.519531 MB of memory in use. ENERGY: 255200 3905.1680 20459.8140 14520.8185 247.9848 -203536.4439 2857.8898 0.0000 0.0000 52088.6424 -109456.1264 299.3541 -161544.7688 -109091.3118 298.9714 407.0003 432.0678 760769.1563 3.1118 3.0828 PRESSURE: 255400 -365.471 -30.3672 -175.91 -30.3667 -21.2993 55.7227 -175.911 55.7213 206.746 GPRESSURE: 255400 -281.801 -70.328 -134.521 -90.1413 -32.7144 53.8568 -309.831 92.7149 209.386 PRESSAVG: 255400 -34.2194 -51.8033 -18.7599 -51.8033 24.3889 6.68046 -18.7599 6.68044 -4.11413 GPRESSAVG: 255400 -34.8504 -50.7604 -19.0833 -51.6406 23.5361 5.47998 -16.6681 6.32925 -3.07054 TIMING: 255400 CPU: 811.709, 0.00315366/step Wall: 811.709, 0.00315366/step, 4.15635 hours remaining, 231.519531 MB of memory in use. ENERGY: 255400 3944.6547 20457.9090 14481.0178 252.7194 -203170.0926 2438.3947 0.0000 0.0000 52030.1951 -109565.2020 299.0182 -161595.3970 -109206.3187 298.9786 -60.0084 -35.0432 762190.0610 -4.6482 -4.7949 PRESSURE: 255600 264.534 73.4134 237.35 73.4128 124.706 -35.7085 237.349 -35.7077 -340.713 GPRESSURE: 255600 223.488 22.5862 170.74 -54.1783 232.485 -63.8051 180.899 -2.08379 -326.873 PRESSAVG: 255600 -34.3955 -82.7097 -16.2281 -82.7097 39.5505 -14.85 -16.228 -14.8499 16.5487 GPRESSAVG: 255600 -33.9448 -83.8851 -17.7978 -82.5921 38.9777 -15.0185 -16.2799 -12.3278 16.5232 TIMING: 255600 CPU: 812.337, 0.00313998/step Wall: 812.337, 0.00313998/step, 4.13814 hours remaining, 231.519531 MB of memory in use. ENERGY: 255600 3993.8387 20528.9443 14451.8609 234.9233 -203573.0179 2721.8587 0.0000 0.0000 52120.0578 -109521.5343 299.5347 -161641.5921 -109165.1159 298.8833 16.1757 43.0334 761383.1423 7.2346 7.1854 PRESSURE: 255800 -151.54 169.159 -33.4647 169.158 -154.148 -160.046 -33.4647 -160.047 -53.6393 GPRESSURE: 255800 -77.4081 107.058 8.58392 84.9641 -188.826 -169.72 -91.2285 -213.382 -5.85933 PRESSAVG: 255800 21.8261 -73.7461 -40.2063 -73.7461 -21.5244 -60.7658 -40.2064 -60.7658 -17.4039 GPRESSAVG: 255800 21.8314 -74.0272 -36.5686 -74.8573 -19.7742 -60.1539 -40.9155 -63.2887 -18.9554 TIMING: 255800 CPU: 812.97, 0.00316279/step Wall: 812.97, 0.00316279/step, 4.16803 hours remaining, 231.519531 MB of memory in use. ENERGY: 255800 4018.2419 20457.2986 14493.9211 236.3886 -203184.7528 2487.1503 0.0000 0.0000 51754.1459 -109737.6064 297.4318 -161491.7523 -109380.1226 298.6509 -119.7757 -90.6980 762511.5005 -5.7007 -5.6327 PRESSURE: 256000 326.442 104.259 -32.9052 104.26 91.0734 -17.058 -32.905 -17.0575 80.1451 GPRESSURE: 256000 283.605 73.6115 -31.5187 123.441 177.387 -23.0454 -71.4454 -12.7816 145.019 PRESSAVG: 256000 -13.9882 10.4195 -49.1073 10.4196 1.97889 -53.3121 -49.1074 -53.3122 15.4674 GPRESSAVG: 256000 -13.6113 10.8618 -50.6881 10.564 1.06395 -53.4787 -47.809 -52.4537 15.8951 TIMING: 256000 CPU: 813.604, 0.00317076/step Wall: 813.604, 0.00317076/step, 4.17835 hours remaining, 231.519531 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: 256000 3987.1928 20524.3563 14462.8118 266.9949 -203137.7096 2463.9080 0.0000 0.0000 51877.5176 -109554.9281 298.1408 -161432.4457 -109209.0724 298.3947 165.8867 202.0037 761349.4340 1.1527 1.1159 PRESSURE: 256200 286.312 -93.1632 35.1179 -93.1634 87.7681 152.776 35.1177 152.776 233.738 GPRESSURE: 256200 338.603 -44.8257 135.226 -150.039 97.2733 111.174 103.97 180.852 262.812 PRESSAVG: 256200 4.3859 11.5922 -0.862312 11.5921 23.0781 -35.0192 -0.862324 -35.0192 -0.688788 GPRESSAVG: 256200 3.92972 11.0274 -0.17538 12.0157 23.2457 -35.7917 -2.50388 -36.3068 -1.08623 TIMING: 256200 CPU: 814.237, 0.00316655/step Wall: 814.237, 0.00316655/step, 4.17264 hours remaining, 231.519531 MB of memory in use. ENERGY: 256200 3940.1343 20382.3232 14487.1965 220.4068 -203179.0657 2430.1746 0.0000 0.0000 52167.9067 -109550.9236 299.8097 -161718.8303 -109187.5456 298.8610 202.6059 232.8961 761805.8167 8.9251 8.6964 LDB: ============= START OF LOAD BALANCING ============== 826.658 LDB: ============== END OF LOAD BALANCING =============== 826.659 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 826.66 LDB: ============= START OF LOAD BALANCING ============== 826.973 LDB: Largest compute 7072 load 0.034981 is 18.0% of average load 0.194808 LDB: Average compute 0.004413 is 2.3% of average load 0.194808 LDB: TIME 826.977 LOAD: AVG 0.194808 MAX 0.21368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.25 MB LDB: TIME 826.977 LOAD: AVG 0.194808 MAX 0.21368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: TIME 826.977 LOAD: AVG 0.194808 MAX 0.21368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: ============== END OF LOAD BALANCING =============== 826.979 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 826.984 PRESSURE: 256400 204.542 -28.333 -3.17964 -28.3325 308.875 -201.791 -3.1789 -201.791 454.78 GPRESSURE: 256400 264.339 -66.762 -10.5971 -15.0821 234.467 -235.972 53.2885 -303.025 550.613 PRESSAVG: 256400 -32.0682 17.1482 -15.2069 17.1483 45.6757 -51.4903 -15.2069 -51.4903 12.863 GPRESSAVG: 256400 -31.9286 16.3079 -16.2113 16.7193 46.0545 -49.242 -14.0276 -52.6339 12.6415 TIMING: 256400 CPU: 814.878, 0.00320645/step Wall: 814.878, 0.00320645/step, 4.22504 hours remaining, 232.468750 MB of memory in use. ENERGY: 256400 3906.5553 20470.8941 14440.3097 243.0574 -203468.3949 2753.1297 0.0000 0.0000 52060.8130 -109593.6357 299.1942 -161654.4487 -109224.6890 298.9418 322.7325 349.8064 761420.6812 8.8235 8.9225 PRESSURE: 256600 -227.255 -13.938 159.617 -13.9375 -309.739 -108.932 159.617 -108.932 314.387 GPRESSURE: 256600 -148.37 -61.7005 78.3113 18.1874 -266.465 -64.2891 78.5595 -111.204 280.326 PRESSAVG: 256600 28.0051 -11.2165 4.81846 -11.2165 11.5179 -34.1447 4.81857 -34.1448 5.45007 GPRESSAVG: 256600 27.3731 -7.81645 5.26533 -11.6362 11.3543 -37.3419 6.39761 -29.7568 6.14794 TIMING: 256600 CPU: 815.506, 0.00313673/step Wall: 815.506, 0.00313674/step, 4.133 hours remaining, 232.671875 MB of memory in use. ENERGY: 256600 3973.6481 20585.8892 14451.2346 225.4349 -203153.3054 2223.1004 0.0000 0.0000 52088.3522 -109605.6461 299.3525 -161693.9983 -109246.2418 299.3781 -74.2023 -44.8360 761124.2826 14.9910 14.9585 PRESSURE: 256800 83.8617 13.7531 -150.101 13.7533 -282.62 -100.264 -150.102 -100.264 313.199 GPRESSURE: 256800 88.2338 74.2481 -161.827 110.847 -250.674 -126.844 -266.003 -113.68 374.898 PRESSAVG: 256800 32.5702 14.5765 -18.4603 14.5764 -4.84409 -31.6017 -18.4604 -31.6016 -8.62851 GPRESSAVG: 256800 34.2804 14.1674 -19.8915 15.4891 -5.64209 -30.3073 -20.8487 -33.9671 -9.50707 TIMING: 256800 CPU: 816.136, 0.00315004/step Wall: 816.136, 0.00315004/step, 4.15035 hours remaining, 232.671875 MB of memory in use. ENERGY: 256800 3925.8965 20493.3324 14456.5012 238.7425 -203415.4404 2608.1179 0.0000 0.0000 52073.9046 -109618.9452 299.2694 -161692.8498 -109254.9609 299.1345 38.1469 70.8192 759867.5099 6.3659 6.3771 PRESSURE: 257000 241.061 115.393 -32.929 115.393 85.8558 11.3813 -32.9288 11.3814 -8.69741 GPRESSURE: 257000 213.186 60.5747 13.4962 92.762 95.2587 -20.7903 52.9842 -1.382 94.6914 PRESSAVG: 257000 39.7379 7.093 16.1693 7.09297 -21.3941 -23.8735 16.1693 -23.8734 3.6357 GPRESSAVG: 257000 39.2762 6.22496 16.6066 8.58862 -20.8798 -23.2069 17.916 -23.2131 3.80808 TIMING: 257000 CPU: 816.768, 0.00316409/step Wall: 816.768, 0.00316409/step, 4.16869 hours remaining, 232.671875 MB of memory in use. ENERGY: 257000 3969.5500 20547.9348 14473.3888 270.4679 -203330.2796 2715.2911 0.0000 0.0000 51921.1102 -109432.5369 298.3913 -161353.6470 -109082.0972 299.4990 106.0731 134.3786 761095.3529 7.3265 7.4015 PRESSURE: 257200 116.926 -179.035 -51.7695 -179.034 89.4834 8.2567 -51.7694 8.2544 -196.223 GPRESSURE: 257200 206.897 -320.507 -60.4522 -270.772 96.677 -26.6271 -69.1084 122.566 -202.519 PRESSAVG: 257200 0.493521 -48.0581 -27.8666 -48.0581 23.1737 33.6788 -27.8665 33.6787 -11.102 GPRESSAVG: 257200 -0.869314 -48.5354 -27.7854 -47.9016 22.3989 31.2478 -28.6742 33.7852 -9.05336 TIMING: 257200 CPU: 817.401, 0.00316027/step Wall: 817.401, 0.00316027/step, 4.16348 hours remaining, 232.671875 MB of memory in use. ENERGY: 257200 3995.7098 20437.9178 14485.2034 250.8832 -203267.8365 2495.7539 0.0000 0.0000 52306.6858 -109295.6825 300.6072 -161602.3683 -108936.6642 299.7042 3.3956 33.6849 759872.8989 4.1884 4.1588 PRESSURE: 257400 146.161 -126.525 -297.388 -126.524 139.871 -80.7601 -297.388 -80.7601 -375.857 GPRESSURE: 257400 167.597 -112.564 -225.804 -127.644 124.531 -47.6972 -233.359 -98.3054 -308.399 PRESSAVG: 257400 26.4874 29.3111 -6.74865 29.3111 17.8813 36.2856 -6.74859 36.2855 -7.0846 GPRESSAVG: 257400 28.0946 30.0105 -6.53542 27.7574 17.5929 38.1712 -6.20608 34.277 -8.51571 TIMING: 257400 CPU: 818.029, 0.00314418/step Wall: 818.029, 0.00314418/step, 4.1421 hours remaining, 232.671875 MB of memory in use. ENERGY: 257400 4050.6937 20500.4073 14534.0279 256.4681 -203557.2629 2459.8101 0.0000 0.0000 52424.6020 -109331.2537 301.2849 -161755.8557 -108966.8910 299.8743 -29.9418 -5.4236 759486.7852 12.4280 12.3906 PRESSURE: 257600 -189.531 -17.612 -126.851 -17.6119 -157.29 -6.5219 -126.851 -6.52268 -115.742 GPRESSURE: 257600 -240.519 44.7688 -90.4297 -35.7465 -95.3198 48.2766 -158.412 -20.4694 -31.7966 PRESSAVG: 257600 -25.6834 11.4343 -35.6093 11.4343 27.6236 -4.65613 -35.6094 -4.65619 -19.901 GPRESSAVG: 257600 -27.8858 11.7786 -35.4008 11.1874 28.6798 -5.53449 -34.6972 -3.98842 -18.6886 TIMING: 257600 CPU: 818.66, 0.00315456/step Wall: 818.66, 0.00315456/step, 4.15561 hours remaining, 232.671875 MB of memory in use. ENERGY: 257600 3986.2252 20788.0894 14506.0862 260.7548 -203286.3122 2315.8696 0.0000 0.0000 51994.7860 -109434.5009 298.8147 -161429.2868 -109069.6570 299.8006 -154.1877 -122.5450 761257.3992 -5.9869 -5.9648 PRESSURE: 257800 173.716 -5.6423 213.117 -5.64185 -168.14 -187.976 213.117 -187.976 -8.40304 GPRESSURE: 257800 178.642 68.1057 282.318 76.2864 -75.4021 -168.606 164.676 -47.8405 -29.7592 PRESSAVG: 257800 -20.6367 6.37094 -0.210426 6.37097 32.0494 21.1791 -0.210452 21.1791 8.01605 GPRESSAVG: 257800 -20.0409 5.37872 -0.176353 6.10147 32.0438 23.6668 -2.38165 21.6628 7.33784 TIMING: 257800 CPU: 819.289, 0.003144/step Wall: 819.289, 0.003144/step, 4.14152 hours remaining, 232.671875 MB of memory in use. ENERGY: 257800 3961.4149 20521.4661 14504.4696 239.6410 -202713.4824 1965.4339 0.0000 0.0000 52003.3230 -109517.7339 298.8638 -161521.0569 -109153.6127 299.7995 -0.9424 24.4935 760303.2333 6.4762 6.4469 PRESSURE: 258000 175.117 159.707 -409.201 159.706 65.3433 3.86807 -409.201 3.86809 -52.5677 GPRESSURE: 258000 162.715 135.7 -363.852 209.918 136.45 -31.9982 -387.661 6.71542 -25.3582 PRESSAVG: 258000 -79.3323 56.5409 -15.9927 56.5408 19.9858 44.4654 -15.9927 44.4654 21.127 GPRESSAVG: 258000 -79.5952 57.9093 -16.63 56.7264 21.0678 44.0657 -15.3992 44.8985 20.5034 TIMING: 258000 CPU: 819.922, 0.00316324/step Wall: 819.922, 0.00316324/step, 4.16669 hours remaining, 232.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 258000 3929.4003 20656.0884 14493.4904 265.6056 -203670.9398 2721.7851 0.0000 0.0000 52022.6527 -109581.9172 298.9749 -161604.5699 -109223.5014 299.2545 62.6308 91.2687 759801.8270 -12.7399 -12.6746 PRESSURE: 258200 230.55 97.7404 83.7181 97.7402 131.729 -54.3267 83.7179 -54.3262 117.946 GPRESSURE: 258200 169.686 164.112 66.7302 155.593 215.302 -82.4049 -20.2111 -6.53142 174.605 PRESSAVG: 258200 -35.5591 -43.421 -20.8542 -43.4211 49.3637 22.686 -20.8542 22.6861 -18.3522 GPRESSAVG: 258200 -34.7925 -43.4921 -21.6291 -44.0885 49.3105 21.2246 -17.727 22.156 -19.37 TIMING: 258200 CPU: 820.556, 0.00317306/step Wall: 820.556, 0.00317306/step, 4.17944 hours remaining, 232.671875 MB of memory in use. ENERGY: 258200 3981.3798 20534.4577 14467.8056 250.7994 -203407.0325 2716.7476 0.0000 0.0000 52052.9262 -109402.9163 299.1489 -161455.8424 -109045.8628 299.5514 160.0748 186.5311 760474.4865 -1.5158 -1.6173 PRESSURE: 258400 -243.312 72.5746 219.897 72.5748 -99.8228 51.3056 219.897 51.3048 -315.876 GPRESSURE: 258400 -153.908 65.4839 245.328 -52.4868 -115.031 142.002 189.435 -16.5814 -307.217 PRESSAVG: 258400 43.9718 -8.7729 8.56314 -8.77287 14.0406 -0.811282 8.56318 -0.811231 1.39611 GPRESSAVG: 258400 44.418 -8.57422 11.9072 -9.65321 13.0396 -1.38892 5.88707 0.225837 1.53232 TIMING: 258400 CPU: 821.187, 0.00315582/step Wall: 821.187, 0.00315582/step, 4.15656 hours remaining, 232.671875 MB of memory in use. ENERGY: 258400 3980.6584 20478.8527 14489.8913 249.1839 -203170.9037 2489.6316 0.0000 0.0000 52102.4298 -109380.2560 299.4334 -161482.6858 -109008.5598 299.7130 -219.6704 -192.0522 759684.0469 19.8028 19.6633 PRESSURE: 258600 -230.726 -6.45856 -82.9792 -6.45955 -226.836 -98.1016 -82.979 -98.1 -227.525 GPRESSURE: 258600 -67.1535 22.2028 -33.7275 156.661 -243.492 -123.054 -138.018 -200.159 -284.443 PRESSAVG: 258600 19.8481 24.2676 11.9177 24.2676 -14.121 -31.1567 11.9177 -31.1567 -8.85781 GPRESSAVG: 258600 19.5248 24.6851 9.05162 27.4439 -15.0936 -30.4512 10.1764 -32.2405 -7.09878 TIMING: 258600 CPU: 821.821, 0.00316687/step Wall: 821.821, 0.00316687/step, 4.17095 hours remaining, 232.671875 MB of memory in use. ENERGY: 258600 4049.6014 20447.2841 14438.1919 271.2322 -203158.0959 2369.9119 0.0000 0.0000 52084.8692 -109497.0053 299.3325 -161581.8745 -109130.7963 299.8024 -228.3621 -198.3629 760562.3215 -1.0435 -0.8892 PRESSURE: 258800 290.441 -66.2255 -164.602 -66.2255 -10.3345 -110.084 -164.602 -110.084 121.367 GPRESSURE: 258800 294.267 -120.5 -172.013 -154.548 96.7444 -60.8804 -180.038 -165.649 98.8035 PRESSAVG: 258800 10.271 -22.5191 -10.8527 -22.5191 2.08426 44.3696 -10.8527 44.3697 3.74008 GPRESSAVG: 258800 10.7312 -25.8259 -11.0825 -23.1076 2.36671 42.9354 -9.47199 43.6726 3.07719 TIMING: 258800 CPU: 822.448, 0.00313796/step Wall: 822.448, 0.00313796/step, 4.1327 hours remaining, 232.671875 MB of memory in use. ENERGY: 258800 4018.0688 20428.7164 14442.2412 243.8845 -203622.2325 2684.0286 0.0000 0.0000 52411.5844 -109393.7084 301.2101 -161805.2928 -109026.7797 299.3918 133.8246 163.2716 758561.3338 5.3651 5.3917 PRESSURE: 259000 -102.347 271.669 -60.4049 271.667 155.542 116.253 -60.4045 116.252 -6.25901 GPRESSURE: 259000 -76.2156 177.702 -29.3061 289.871 206.058 126.165 -67.6635 104.728 -2.76754 PRESSAVG: 259000 -8.51338 -20.6951 0.770313 -20.6952 1.6371 -31.0106 0.770274 -31.0107 -0.483954 GPRESSAVG: 259000 -7.24812 -19.0905 3.47356 -20.6755 1.06798 -27.3496 -0.449484 -31.0779 -1.0936 TIMING: 259000 CPU: 823.079, 0.00315347/step Wall: 823.079, 0.00315347/step, 4.15294 hours remaining, 232.671875 MB of memory in use. ENERGY: 259000 4025.1365 20531.9528 14396.1755 249.0261 -203353.8548 2581.1176 0.0000 0.0000 52060.6223 -109509.8240 299.1931 -161570.4462 -109142.5882 299.5164 15.6455 42.3583 760072.1297 -2.4534 -2.4246 PRESSURE: 259200 -319.97 74.2457 -129.931 74.2458 225.679 -374.21 -129.93 -374.21 455.515 GPRESSURE: 259200 -236.465 35.4633 -79.2825 78.7184 185.296 -366.391 -34.1843 -359.669 480.669 PRESSAVG: 259200 -15.9706 21.2171 -13.0071 21.217 24.9544 -21.5416 -13.0071 -21.5416 -3.21949 GPRESSAVG: 259200 -17.9931 22.2516 -15.1493 22.1247 24.7029 -23.3368 -11.0572 -22.0719 -1.04393 TIMING: 259200 CPU: 823.71, 0.00315371/step Wall: 823.71, 0.00315371/step, 4.15309 hours remaining, 232.671875 MB of memory in use. ENERGY: 259200 4008.8412 20496.1024 14429.2438 248.8733 -203757.2643 2777.8978 0.0000 0.0000 52177.1946 -109619.1112 299.8631 -161796.3059 -109251.9447 299.3240 120.4076 143.1666 761556.1670 1.9215 1.8886 PRESSURE: 259400 -162.364 199.793 24.2902 199.792 -72.8761 -241.076 24.2906 -241.074 211.888 GPRESSURE: 259400 -109.813 200.24 -151.678 165.826 -53.8701 -142.454 39.9762 -168.937 217.631 PRESSAVG: 259400 -20.3026 30.542 -59.0923 30.542 19.8533 -74.3572 -59.0924 -74.3572 -7.48211 GPRESSAVG: 259400 -18.1403 27.7032 -60.3559 30.5327 19.8916 -73.0463 -59.5657 -75.7713 -9.2724 TIMING: 259400 CPU: 824.336, 0.00313093/step Wall: 824.336, 0.00313093/step, 4.12291 hours remaining, 232.671875 MB of memory in use. ENERGY: 259400 3922.4263 20593.9542 14483.1926 238.1559 -203375.1266 2490.5219 0.0000 0.0000 51994.1464 -109652.7292 298.8111 -161646.8756 -109299.2343 299.4085 -7.7839 17.9824 760125.3046 -2.6438 -2.5070 PRESSURE: 259600 160.401 168.243 -255.057 168.242 -125.236 -76.7974 -255.057 -76.797 -17.6168 GPRESSURE: 259600 196.188 4.8046 -161.708 126.306 -111.647 -25.668 -223.931 -89.5269 15.1905 PRESSAVG: 259600 14.658 14.9381 -30.3503 14.938 -26.2889 13.8441 -30.3502 13.8441 6.85447 GPRESSAVG: 259600 13.2969 17.1073 -28.332 15.9546 -25.7702 13.0675 -31.5873 15.3076 6.87279 TIMING: 259600 CPU: 824.966, 0.00315204/step Wall: 824.966, 0.00315204/step, 4.15054 hours remaining, 232.671875 MB of memory in use. ENERGY: 259600 3951.1340 20459.6358 14449.8813 251.3482 -203132.2920 2308.4536 0.0000 0.0000 52088.5401 -109623.2991 299.3536 -161711.8392 -109266.1504 299.3853 5.8494 33.2437 759847.2567 -1.5921 -1.8669 PRESSURE: 259800 -64.5585 79.577 15.4358 79.5769 55.9221 77.2012 15.4356 77.2023 -418.235 GPRESSURE: 259800 -31.2643 55.6212 26.0054 107.119 56.8429 62.7101 -22.9892 0.625049 -360.016 PRESSAVG: 259800 46.1063 12.8672 -15.5949 12.8672 -48.408 -39.6713 -15.595 -39.6713 3.60718 GPRESSAVG: 259800 44.8977 13.0223 -15.2991 11.5258 -47.3888 -39.23 -14.5961 -38.5459 3.86614 TIMING: 259800 CPU: 825.596, 0.00314819/step Wall: 825.596, 0.00314819/step, 4.14529 hours remaining, 232.671875 MB of memory in use. ENERGY: 259800 4023.2012 20392.9742 14436.2696 243.8268 -203805.6672 2866.7258 0.0000 0.0000 52007.2915 -109835.3781 298.8866 -161842.6696 -109474.4461 298.9749 -142.2905 -111.4793 762444.8677 0.4352 0.4584 PRESSURE: 260000 52.4225 -59.8183 -5.79694 -59.8186 -157.614 7.98483 -5.79766 7.98563 79.0807 GPRESSURE: 260000 75.2146 -109.579 -86.5626 22.5029 -128.105 74.4487 -5.29141 -47.2537 133.511 PRESSAVG: 260000 -13.5802 -14.3901 -96.7294 -14.3902 16.2591 -16.3445 -96.7294 -16.3444 3.46675 GPRESSAVG: 260000 -11.0048 -13.8371 -97.9529 -14.2166 14.3415 -15.11 -97.0238 -17.3829 2.30447 TIMING: 260000 CPU: 826.224, 0.00313825/step Wall: 826.224, 0.00313825/step, 4.13203 hours remaining, 232.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 260000 4080.3671 20496.4071 14425.0655 243.2107 -203374.9736 2487.7120 0.0000 0.0000 51641.9362 -110000.2751 296.7869 -161642.2113 -109648.2365 298.6298 -8.7034 26.8735 760460.3859 2.0485 1.8804 PRESSURE: 260200 -28.951 108.425 128.518 108.425 -164.762 105.639 128.518 105.64 -338.585 GPRESSURE: 260200 -156.246 5.3838 51.7904 5.57919 -42.1528 114.393 256.835 72.9292 -254.719 PRESSAVG: 260200 25.0917 10.5771 -52.7687 10.577 -42.9338 -3.83665 -52.7687 -3.83668 19.7321 GPRESSAVG: 260200 22.3057 11.0514 -53.4039 9.29275 -41.491 -3.8242 -52.7415 -6.47473 21.4264 TIMING: 260200 CPU: 826.856, 0.00315903/step Wall: 826.856, 0.00315903/step, 4.15922 hours remaining, 232.671875 MB of memory in use. ENERGY: 260200 4004.1913 20581.1821 14391.8356 267.9389 -203873.1812 2676.5776 0.0000 0.0000 51759.9321 -110191.5236 297.4650 -161951.4557 -109825.1729 298.4377 -177.4326 -151.0393 760552.6329 0.6300 0.7470 LDB: ============= START OF LOAD BALANCING ============== 839.275 LDB: ============== END OF LOAD BALANCING =============== 839.275 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 839.277 LDB: ============= START OF LOAD BALANCING ============== 839.591 LDB: Largest compute 7075 load 0.033961 is 17.4% of average load 0.194810 LDB: Average compute 0.004402 is 2.3% of average load 0.194810 LDB: TIME 839.594 LOAD: AVG 0.19481 MAX 0.212606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.215 MB LDB: TIME 839.595 LOAD: AVG 0.19481 MAX 0.212606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.414 MB LDB: TIME 839.595 LOAD: AVG 0.19481 MAX 0.212606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.414 MB LDB: ============== END OF LOAD BALANCING =============== 839.597 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 839.601 PRESSURE: 260400 -15.4783 121.078 -246.88 121.078 -115.755 -99.6771 -246.879 -99.6761 137.156 GPRESSURE: 260400 85.4907 130.622 -107.344 68.1157 -126.202 -210.843 -80.3548 4.59097 107.8 PRESSAVG: 260400 14.592 4.17012 18.7417 4.17015 39.8797 -32.2227 18.7418 -32.2226 3.02675 GPRESSAVG: 260400 14.4091 1.7592 18.9302 4.79423 39.7785 -34.4643 20.4 -29.3938 2.8472 TIMING: 260400 CPU: 827.495, 0.0031982/step Wall: 827.495, 0.0031982/step, 4.21061 hours remaining, 231.386719 MB of memory in use. ENERGY: 260400 3995.6042 20554.6298 14456.0755 247.4333 -203563.2285 2503.7500 0.0000 0.0000 51648.6460 -110157.0897 296.8255 -161805.7356 -109792.6950 298.4636 1.9744 22.3627 760869.0241 19.1662 19.0116 PRESSURE: 260600 -115.262 25.7709 -110.736 25.7712 -341.068 -126.843 -110.735 -126.843 -266.483 GPRESSURE: 260600 -122.977 18.6796 -134.602 54.3493 -294.116 -28.4513 -149.319 -129.595 -221.002 PRESSAVG: 260600 -23.7303 9.28221 -68.3405 9.28226 -23.6801 -78.304 -68.3404 -78.304 15.0197 GPRESSAVG: 260600 -22.6125 10.2105 -68.705 9.32616 -23.4463 -76.3876 -69.4941 -78.9935 13.2425 TIMING: 260600 CPU: 828.122, 0.00313362/step Wall: 828.122, 0.00313362/step, 4.12541 hours remaining, 231.386719 MB of memory in use. ENERGY: 260600 3963.9738 20722.2239 14430.9817 264.3651 -203396.4463 2278.1581 0.0000 0.0000 51597.7663 -110138.9774 296.5331 -161736.7437 -109777.6570 298.0108 -240.9377 -212.6986 760448.3630 -10.7969 -10.9388 PRESSURE: 260800 -103.965 -240.526 -299.15 -240.525 -194.88 -23.6148 -299.15 -23.6154 189.178 GPRESSURE: 260800 -105.501 -285.768 -248.168 -153.526 -105.659 -38.0792 -364.233 -46.7709 196.364 PRESSAVG: 260800 -3.88313 0.0526541 -59.8921 0.052662 -3.39872 -45.8581 -59.8921 -45.858 -18.7333 GPRESSAVG: 260800 -2.98986 0.835272 -60.4174 -0.618936 -4.80097 -46.9907 -59.8629 -44.7276 -18.6691 TIMING: 260800 CPU: 828.749, 0.00313486/step Wall: 828.749, 0.00313485/step, 4.12686 hours remaining, 231.386719 MB of memory in use. ENERGY: 260800 3971.2893 20546.5889 14429.5500 237.5193 -203585.2552 2541.5302 0.0000 0.0000 51801.0751 -110057.7023 297.7015 -161858.7774 -109704.4624 297.9280 -36.5554 -4.9324 760543.8248 -8.6717 -8.8200 PRESSURE: 261000 -415.85 134.463 43.7609 134.463 -154.801 -68.3571 43.7608 -68.3576 -373.456 GPRESSURE: 261000 -398.125 33.4941 -21.6247 134.015 -42.251 2.58608 -30.7651 -123.929 -409.665 PRESSAVG: 261000 14.309 -17.7711 -67.7657 -17.7711 -7.72457 -43.3075 -67.7657 -43.3075 -4.85852 GPRESSAVG: 261000 12.954 -18.6802 -66.9268 -16.077 -6.54288 -43.7142 -70.507 -43.0046 -4.66095 TIMING: 261000 CPU: 829.378, 0.00314414/step Wall: 829.378, 0.00314415/step, 4.13892 hours remaining, 231.386719 MB of memory in use. ENERGY: 261000 4011.8206 20545.4659 14380.8097 255.6268 -203528.3653 2284.9293 0.0000 0.0000 51984.0142 -110065.6989 298.7528 -162049.7130 -109704.0280 298.3578 -314.7026 -283.3468 759099.7476 0.5753 0.5834 PRESSURE: 261200 -91.4974 -35.3649 -209.548 -35.3645 -43.9785 13.2032 -209.547 13.203 164.493 GPRESSURE: 261200 -1.63203 -57.3824 -257.284 34.9593 -38.5418 -29.2007 -235.821 51.909 152.712 PRESSAVG: 261200 -46.9371 -18.8779 -50.7879 -18.878 43.7496 -18.197 -50.7879 -18.197 12.5677 GPRESSAVG: 261200 -47.0001 -19.6401 -48.7892 -18.1308 43.6289 -18.2869 -49.0314 -18.0621 12.278 TIMING: 261200 CPU: 830.006, 0.00314122/step Wall: 830.006, 0.00314122/step, 4.13489 hours remaining, 231.386719 MB of memory in use. ENERGY: 261200 3934.1829 20707.5267 14434.8848 228.4224 -203791.2131 2601.8171 0.0000 0.0000 51732.6869 -110151.6923 297.3085 -161884.3792 -109792.3041 298.2452 9.6723 37.5129 760258.3181 3.1268 2.9690 PRESSURE: 261400 27.7889 -15.5116 -143.541 -15.5117 -101.451 -77.3722 -143.54 -77.3727 289.024 GPRESSURE: 261400 103.895 -116.55 -196.538 3.80794 -73.0946 -42.9169 -81.685 -44.8338 289.116 PRESSAVG: 261400 -15.6921 -14.3502 -8.1569 -14.3501 23.4836 -22.8664 -8.15698 -22.8664 -31.1617 GPRESSAVG: 261400 -14.8742 -14.4042 -7.22827 -14.5713 22.6836 -20.5984 -9.34814 -22.9581 -31.1358 TIMING: 261400 CPU: 830.634, 0.00314087/step Wall: 830.634, 0.00314087/step, 4.13426 hours remaining, 231.386719 MB of memory in use. ENERGY: 261400 3897.6295 20565.0162 14389.1830 255.4308 -203684.4742 2506.3746 0.0000 0.0000 52044.6541 -110026.1861 299.1013 -162070.8401 -109665.1998 298.1096 71.7874 106.6389 758710.4508 -7.7901 -7.7755 PRESSURE: 261600 67.1087 39.5318 -15.5809 39.5322 113.296 -243.943 -15.5807 -243.942 477.317 GPRESSURE: 261600 132.436 -46.7346 3.37612 -36.5603 184.932 -255.028 -47.9607 -176.07 421.391 PRESSAVG: 261600 -19.9498 -32.6387 -33.2591 -32.6387 39.4358 -41.0067 -33.2591 -41.0067 -21.0115 GPRESSAVG: 261600 -19.4444 -31.8456 -33.8889 -34.9542 38.5535 -41.8285 -32.0476 -38.7035 -20.8462 TIMING: 261600 CPU: 831.262, 0.00313952/step Wall: 831.262, 0.00313952/step, 4.1323 hours remaining, 231.386719 MB of memory in use. ENERGY: 261600 3949.8081 20622.8150 14460.3176 243.9946 -203928.9017 2700.7900 0.0000 0.0000 52119.8058 -109831.3707 299.5332 -161951.1764 -109456.6420 299.0390 219.2408 246.2533 759355.7634 -0.5085 -0.5790 PRESSURE: 261800 -184.589 -30.4876 -105.74 -30.4876 -249.591 5.65928 -105.74 5.65771 -206.073 GPRESSURE: 261800 -182.157 41.0941 -31.5154 -55.8375 -196.804 -26.2359 -179.619 31.2275 -170.053 PRESSAVG: 261800 49.8306 -7.74112 -1.8028 -7.74107 -20.4441 30.9045 -1.80275 30.9046 -15.358 GPRESSAVG: 261800 48.9855 -7.63933 -1.33544 -6.31516 -19.2138 29.6981 -3.33019 28.57 -15.3562 TIMING: 261800 CPU: 831.887, 0.00312703/step Wall: 831.887, 0.00312703/step, 4.1157 hours remaining, 231.386719 MB of memory in use. ENERGY: 261800 4052.1747 20720.0904 14453.4019 229.2759 -203396.7425 2381.7900 0.0000 0.0000 51764.6643 -109795.3453 297.4922 -161560.0095 -109442.0604 298.8597 -213.4176 -183.0046 761768.7872 4.6762 4.8052 PRESSURE: 262000 -205.111 -29.0981 72.559 -29.0979 -19.0411 -49.9273 72.558 -49.9277 28.0438 GPRESSURE: 262000 -162.286 -36.9606 74.7485 -21.3785 -46.7892 -45.8552 -33.6402 -25.8484 67.4638 PRESSAVG: 262000 -29.0793 17.6588 20.4203 17.6588 -24.278 -17.5983 20.4203 -17.5984 33.3994 GPRESSAVG: 262000 -29.1101 17.6961 21.5148 16.8941 -24.1713 -17.4102 19.952 -18.006 32.7937 TIMING: 262000 CPU: 832.514, 0.00313382/step Wall: 832.514, 0.00313382/step, 4.12445 hours remaining, 231.386719 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: 262000 3886.7394 20550.3862 14398.4580 261.6858 -203661.5722 2509.8914 0.0000 0.0000 52320.2993 -109734.1121 300.6855 -162054.4114 -109362.3822 299.0048 -65.3696 -47.2037 760134.2375 -6.6526 -6.8292 PRESSURE: 262200 -62.5882 93.7066 17.6823 93.7057 68.9373 -28.2036 17.6811 -28.2027 65.6657 GPRESSURE: 262200 -78.2228 156.079 -53.8364 48.4306 143.814 -19.2026 104.96 -8.22539 78.7365 PRESSAVG: 262200 -22.1369 -30.3465 13.985 -30.3465 30.2032 -11.411 13.985 -11.4109 7.83984 GPRESSAVG: 262200 -22.8809 -29.434 10.6888 -30.8515 29.8148 -11.7755 16.4298 -10.377 8.90008 TIMING: 262200 CPU: 833.141, 0.00313272/step Wall: 833.141, 0.00313272/step, 4.12283 hours remaining, 231.386719 MB of memory in use. ENERGY: 262200 4052.2815 20590.0328 14456.9188 217.2224 -203457.9411 2580.2010 0.0000 0.0000 51937.8955 -109623.3890 298.4878 -161561.2845 -109264.2636 299.4627 24.0049 48.1092 759927.7608 5.3020 5.2780 PRESSURE: 262400 -306.956 6.60653 82.0222 6.60657 -116.258 329.376 82.0225 329.377 -449.173 GPRESSURE: 262400 -280.452 56.2372 185.493 41.7327 -55.3602 169.698 70.6857 369.792 -445.504 PRESSAVG: 262400 40.5758 -11.5672 -15.9164 -11.5672 -51.0556 59.5844 -15.9164 59.5845 -27.048 GPRESSAVG: 262400 40.5291 -13.1749 -15.568 -10.0212 -51.6221 60.3635 -16.7654 59.705 -25.8188 TIMING: 262400 CPU: 833.769, 0.00314233/step Wall: 833.769, 0.00314233/step, 4.13531 hours remaining, 231.386719 MB of memory in use. ENERGY: 262400 4026.0572 20466.7404 14455.3758 260.2701 -203385.7328 2346.1619 0.0000 0.0000 52290.9603 -109540.1672 300.5169 -161831.1274 -109181.2932 299.5707 -290.7957 -260.4386 760166.4767 -12.5093 -12.3039 PRESSURE: 262600 83.1384 -160.892 -157.578 -160.893 197.582 446.382 -157.577 446.384 52.7026 GPRESSURE: 262600 139.115 -169.736 -156.216 -172.168 213.743 426.09 -207.453 405.264 61.8336 PRESSAVG: 262600 40.1594 -19.7412 -33.4571 -19.7412 -23.474 6.03253 -33.4572 6.03253 0.871633 GPRESSAVG: 262600 41.0553 -19.9747 -31.8669 -19.3044 -22.8742 5.04325 -34.4882 4.85251 -0.160948 TIMING: 262600 CPU: 834.399, 0.00314851/step Wall: 834.399, 0.00314851/step, 4.14327 hours remaining, 231.386719 MB of memory in use. ENERGY: 262600 3957.5710 20437.8753 14406.2401 245.9405 -203628.8925 2702.8391 0.0000 0.0000 52160.5038 -109717.9228 299.7671 -161878.4266 -109350.6367 299.3797 111.1408 138.2305 760956.2381 5.8523 6.0067 PRESSURE: 262800 -42.036 -15.8271 -183.918 -15.8278 194.624 -115.976 -183.918 -115.977 231.458 GPRESSURE: 262800 -47.8512 -81.6174 -277.604 29.3431 286.845 -72.8988 -45.9812 -76.969 237.194 PRESSAVG: 262800 -11.8372 -48.628 -25.8728 -48.628 -4.32511 -87.0473 -25.8728 -87.0473 13.919 GPRESSAVG: 262800 -12.6609 -48.8429 -26.3524 -49.4515 -2.26614 -85.034 -24.0891 -87.3093 13.2128 TIMING: 262800 CPU: 835.025, 0.00313173/step Wall: 835.025, 0.00313173/step, 4.121 hours remaining, 231.386719 MB of memory in use. ENERGY: 262800 3963.7249 20608.9887 14436.4870 257.4851 -203493.6327 2714.1061 0.0000 0.0000 51891.0446 -109621.7962 298.2185 -161512.8409 -109259.6470 298.9129 128.0154 158.7293 760596.9046 -0.7477 -0.5714 PRESSURE: 263000 80.3108 -51.4417 25.3758 -51.4417 42.4305 -8.78407 25.3758 -8.78289 39.323 GPRESSURE: 263000 226.361 -39.9403 30.4291 69.5945 33.8341 -33.4607 -11.756 83.5905 -21.0357 PRESSAVG: 263000 -30.3882 -62.509 10.8413 -62.509 24.394 14.912 10.8414 14.912 -11.9966 GPRESSAVG: 263000 -29.5156 -62.0136 10.4363 -60.6086 22.5166 12.9921 9.4297 15.8376 -11.0351 TIMING: 263000 CPU: 835.657, 0.00315609/step Wall: 835.657, 0.00315609/step, 4.15288 hours remaining, 231.386719 MB of memory in use. ENERGY: 263000 4019.2565 20518.1841 14490.0107 233.5760 -203713.0029 2774.6379 0.0000 0.0000 52098.3548 -109578.9829 299.4100 -161677.3377 -109228.4498 299.5229 54.0215 79.7198 760206.1528 -5.9969 -6.0114 PRESSURE: 263200 57.8168 22.1822 -89.3025 22.1815 261.815 -192.118 -89.3025 -192.117 39.7958 GPRESSURE: 263200 73.1338 52.0332 -131.687 11.1802 289.064 -221.676 10.9716 -28.1612 79.5053 PRESSAVG: 263200 28.8916 22.2988 -7.76393 22.2988 9.38855 18.7891 -7.76399 18.7891 -4.06388 GPRESSAVG: 263200 28.0779 23.0869 -8.67375 20.6223 9.99137 21.1803 -4.35029 18.2172 -3.9459 TIMING: 263200 CPU: 836.284, 0.00313495/step Wall: 836.284, 0.00313495/step, 4.1249 hours remaining, 231.386719 MB of memory in use. ENERGY: 263200 3939.1241 20518.6957 14509.0286 246.0161 -203942.7037 2972.4465 0.0000 0.0000 52131.5492 -109625.8434 299.6007 -161757.3926 -109268.9804 299.4337 119.8091 147.2345 762074.5797 11.4054 11.3745 PRESSURE: 263400 -273.815 -36.9648 0.762166 -36.9649 -9.7815 1.05949 0.761672 1.05897 359.378 GPRESSURE: 263400 -161.155 102.252 -124.305 -22.4047 29.7733 -53.8481 78.3944 -36.7134 287.919 PRESSAVG: 263400 -2.03416 -9.50946 36.8266 -9.50951 7.61355 -79.4704 36.8266 -79.4705 12.5562 GPRESSAVG: 263400 -2.3472 -11.5757 37.6731 -8.8558 7.8766 -80.0574 34.7499 -78.3801 12.9548 TIMING: 263400 CPU: 836.915, 0.0031557/step Wall: 836.915, 0.0031557/step, 4.15202 hours remaining, 231.386719 MB of memory in use. ENERGY: 263400 3974.1424 20592.7253 14496.3379 244.2753 -203517.3185 2557.0146 0.0000 0.0000 52072.1268 -109580.6961 299.2592 -161652.8230 -109213.8932 299.4992 25.2607 52.1792 761420.1630 6.0452 6.1614 PRESSURE: 263600 -225.119 -109.002 301.105 -109.002 -58.5278 189.012 301.106 189.012 -282.207 GPRESSURE: 263600 -108.644 -62.5569 286.339 -87.1061 -90.2902 148.473 292.308 159.271 -267.024 PRESSAVG: 263600 26.2469 -43.6163 7.78405 -43.6163 -67.6874 26.856 7.78403 26.856 -16.4887 GPRESSAVG: 263600 27.4278 -43.4691 8.8589 -43.1792 -67.4605 25.0801 7.2554 25.5961 -17.4276 TIMING: 263600 CPU: 837.542, 0.00313909/step Wall: 837.542, 0.00313909/step, 4.12999 hours remaining, 231.386719 MB of memory in use. ENERGY: 263600 4024.1942 20436.9934 14451.0592 254.2916 -203973.0756 2905.1779 0.0000 0.0000 52264.9014 -109636.4578 300.3671 -161901.3592 -109263.8576 299.8239 -188.6178 -155.3194 761889.0530 -19.3098 -19.1534 PRESSURE: 263800 422.759 185.666 42.248 185.666 135.988 174.655 42.2486 174.655 284.18 GPRESSURE: 263800 448.897 172.074 104.276 331.225 250.568 163.6 148.437 78.3662 226.295 PRESSAVG: 263800 38.4868 58.9016 23.7982 58.9017 7.04909 -0.948062 23.7983 -0.948085 -1.68608 GPRESSAVG: 263800 38.6726 59.2766 23.6966 59.7123 6.42019 0.4844 24.0132 -0.920833 -1.26882 TIMING: 263800 CPU: 838.17, 0.00313524/step Wall: 838.17, 0.00313524/step, 4.12476 hours remaining, 231.386719 MB of memory in use. ENERGY: 263800 4000.2371 20541.0365 14493.8669 269.7959 -203585.3235 2759.0581 0.0000 0.0000 52021.0054 -109500.3235 298.9654 -161521.3289 -109140.5438 299.5591 280.9760 308.5866 760141.4831 14.6166 14.6080 PRESSURE: 264000 29.5046 -60.2491 -121.401 -60.2482 31.3618 -49.1735 -121.401 -49.1727 -46.4722 GPRESSURE: 264000 120.583 1.73784 -140.215 -121.873 31.0402 -45.3724 -217.416 -226.958 -40.1221 PRESSAVG: 264000 22.2209 16.5068 37.9412 16.5068 -39.5631 -67.6609 37.9412 -67.6609 28.4419 GPRESSAVG: 264000 22.2124 16.3368 37.8765 15.5484 -39.4647 -68.4649 38.5766 -66.9331 27.8141 TIMING: 264000 CPU: 838.796, 0.0031323/step Wall: 838.796, 0.0031323/step, 4.12072 hours remaining, 231.386719 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: 264000 3900.8856 20428.1880 14473.4253 242.1031 -202918.8648 2413.1482 0.0000 0.0000 51857.9966 -109603.1181 298.0286 -161461.1147 -109233.5381 298.8965 4.7981 37.1672 762618.7011 3.6999 3.5206 PRESSURE: 264200 40.986 124.071 102.919 124.071 -179.467 -162.628 102.917 -162.627 -170.087 GPRESSURE: 264200 98.1055 173.404 38.3779 142.053 -128.593 -103.661 120.082 -262.765 -219.237 PRESSAVG: 264200 -26.1716 23.5024 62.6009 23.5024 17.0535 -80.4869 62.6009 -80.4869 -2.51877 GPRESSAVG: 264200 -25.6874 25.1079 61.7433 20.9793 15.6003 -80.3809 61.6408 -80.1335 -1.13445 TIMING: 264200 CPU: 839.425, 0.00314361/step Wall: 839.425, 0.00314361/step, 4.13542 hours remaining, 231.386719 MB of memory in use. ENERGY: 264200 4077.1843 20544.5453 14387.2556 233.7040 -203151.5534 2439.1887 0.0000 0.0000 52158.2286 -109311.4469 299.7541 -161469.6756 -108952.1667 299.4885 -102.8560 -83.2416 759730.0989 -3.8789 -3.7405 LDB: ============= START OF LOAD BALANCING ============== 851.846 LDB: ============== END OF LOAD BALANCING =============== 851.846 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 851.848 LDB: ============= START OF LOAD BALANCING ============== 852.161 LDB: Largest compute 7074 load 0.036055 is 18.5% of average load 0.194886 LDB: Average compute 0.004407 is 2.3% of average load 0.194886 LDB: TIME 852.165 LOAD: AVG 0.194886 MAX 0.218022 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.531 MB LDB: TIME 852.165 LOAD: AVG 0.194886 MAX 0.218022 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.531 MB LDB: TIME 852.165 LOAD: AVG 0.194886 MAX 0.210216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.531 MB LDB: ============== END OF LOAD BALANCING =============== 852.167 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 852.172 PRESSURE: 264400 72.3883 52.3549 -67.6111 52.3546 -1.21953 44.6891 -67.6108 44.6886 70.3902 GPRESSURE: 264400 10.9856 104.118 -37.637 26.0158 76.5927 109.929 -65.9981 45.4582 151.113 PRESSAVG: 264400 -42.7885 15.6981 -6.37359 15.698 21.8391 -65.4854 -6.37365 -65.4855 6.93502 GPRESSAVG: 264400 -44.3691 14.095 -4.87385 16.2229 23.002 -65.1776 -5.64284 -63.4757 7.4573 TIMING: 264400 CPU: 840.066, 0.00320657/step Wall: 840.066, 0.00320657/step, 4.21806 hours remaining, 229.664062 MB of memory in use. ENERGY: 264400 4045.0313 20756.3890 14468.5272 271.6983 -203392.9409 2567.1553 0.0000 0.0000 52083.6350 -109200.5048 299.3254 -161284.1399 -108848.4999 300.0888 47.1863 79.5636 760470.7085 -4.6715 -4.6366 PRESSURE: 264600 -93.7873 -48.6719 -60.6329 -48.6717 14.1112 -97.5826 -60.6326 -97.5835 -117.353 GPRESSURE: 264600 -105.763 34.6137 -89.0663 -19.6478 63.0206 -96.0347 33.2738 -8.14285 -79.0378 PRESSAVG: 264600 4.3828 -37.6585 0.50602 -37.6584 5.38905 -16.0082 0.50603 -16.0082 3.72971 GPRESSAVG: 264600 5.30781 -39.0849 -1.74954 -34.6157 5.58764 -16.9242 0.774733 -18.7665 2.77759 TIMING: 264600 CPU: 840.693, 0.00313598/step Wall: 840.693, 0.00313598/step, 4.12503 hours remaining, 229.664062 MB of memory in use. ENERGY: 264600 4052.1477 20477.6428 14434.0195 242.3850 -203550.3071 2702.8535 0.0000 0.0000 52336.4138 -109304.8448 300.7781 -161641.2585 -108935.3445 299.8827 -65.6763 -40.5935 761220.6416 4.5005 4.5577 PRESSURE: 264800 182.781 -100.2 130.76 -100.199 82.2724 95.1629 130.761 95.1627 -33.2759 GPRESSURE: 264800 266.494 -134.684 88.617 24.6157 60.1214 156.358 31.7145 62.3217 22.5276 PRESSAVG: 264800 -18.3675 20.8896 17.2988 20.8896 16.6691 6.02604 17.2988 6.02601 -16.2045 GPRESSAVG: 264800 -19.9205 23.722 17.345 19.1988 17.3507 5.61634 16.8866 7.86747 -15.7721 TIMING: 264800 CPU: 841.321, 0.00314032/step Wall: 841.321, 0.00314032/step, 4.13056 hours remaining, 229.664062 MB of memory in use. ENERGY: 264800 3937.8818 20614.7224 14489.7373 251.6446 -203232.8463 2688.9020 0.0000 0.0000 52026.3932 -109223.5649 298.9964 -161249.9581 -108867.1582 299.6745 77.2591 116.3810 761099.1656 -5.9677 -6.1140 PRESSURE: 265000 -468.138 -97.5688 -267.153 -97.5692 -678.827 -388.271 -267.153 -388.27 -374.876 GPRESSURE: 265000 -325.833 -130.187 -183.018 -201.618 -699.8 -353.85 -188.249 -289.173 -401.026 PRESSAVG: 265000 -33.128 -35.0634 -26.3758 -35.0634 14.9431 -73.4956 -26.3758 -73.4956 12.2072 GPRESSAVG: 265000 -31.662 -36.8065 -25.9281 -34.773 13.6652 -72.4384 -28.2527 -73.3191 12.1421 TIMING: 265000 CPU: 841.95, 0.00314606/step Wall: 841.95, 0.00314606/step, 4.13795 hours remaining, 229.664062 MB of memory in use. ENERGY: 265000 4031.5581 20584.7332 14449.5573 251.5370 -202854.8565 2251.7526 0.0000 0.0000 52257.2692 -109028.4491 300.3232 -161285.7183 -108670.5300 299.5271 -507.2803 -475.5529 763633.4394 -1.9926 -1.9516 PRESSURE: 265200 10.3299 77.4024 -168.722 77.4028 58.5468 84.0316 -168.723 84.0317 -284.3 GPRESSURE: 265200 41.0907 -14.3715 -133.005 0.0474877 58.3058 53.1142 -242.147 -12.6924 -226.877 PRESSAVG: 265200 10.5591 -60.7127 25.0085 -60.7127 -41.8502 -24.7828 25.0084 -24.7828 -12.6863 GPRESSAVG: 265200 11.0341 -60.2022 24.8795 -61.1035 -41.3416 -24.4191 27.2799 -27.4417 -12.937 TIMING: 265200 CPU: 842.579, 0.00314496/step Wall: 842.579, 0.00314496/step, 4.13633 hours remaining, 229.664062 MB of memory in use. ENERGY: 265200 3994.2783 20707.2457 14461.5349 249.3850 -203273.4365 2638.3101 0.0000 0.0000 52086.4580 -109136.2244 299.3416 -161222.6824 -108774.3574 300.1606 -71.8079 -42.4936 760981.5102 -14.6591 -14.4148 PRESSURE: 265400 112.829 -109.28 141.245 -109.279 193.542 110.554 141.245 110.554 -67.4196 GPRESSURE: 265400 129.44 -10.4635 144.273 -144.029 230.637 95.1893 73.1672 1.7295 -28.6999 PRESSAVG: 265400 -9.17992 -37.7764 8.25512 -37.7765 9.59443 -74.0926 8.25511 -74.0926 9.95934 GPRESSAVG: 265400 -8.7684 -38.3075 8.86622 -38.3021 8.15377 -76.4285 7.21673 -71.5621 10.7954 TIMING: 265400 CPU: 843.215, 0.00317748/step Wall: 843.215, 0.00317748/step, 4.17892 hours remaining, 229.664062 MB of memory in use. ENERGY: 265400 3986.6765 20610.3168 14465.0525 243.2433 -203218.7949 2515.9673 0.0000 0.0000 52063.4922 -109334.0463 299.2096 -161397.5385 -108968.1377 299.3305 79.6503 110.4590 762806.3769 3.4579 3.3936 PRESSURE: 265600 -1.85114 129.485 39.7313 129.485 -80.6384 -29.8313 39.7319 -29.8314 -59.6991 GPRESSURE: 265600 48.897 144.955 41.0751 165.678 -133.426 37.1998 112.833 -84.809 18.9155 PRESSAVG: 265600 40.6717 -6.26297 51.7499 -6.263 -28.7157 -19.8434 51.7499 -19.8433 -11.1633 GPRESSAVG: 265600 38.9038 -4.88635 52.2644 -5.20209 -28.0409 -18.388 51.5041 -22.821 -10.4799 TIMING: 265600 CPU: 843.844, 0.00314348/step Wall: 843.844, 0.00314348/step, 4.13402 hours remaining, 229.664062 MB of memory in use. ENERGY: 265600 3926.9262 20580.9683 14423.5138 239.8514 -202808.8368 2147.6724 0.0000 0.0000 52137.7554 -109352.1493 299.6364 -161489.9047 -108990.4557 299.9902 -47.3962 -21.8712 761224.0130 0.2642 0.1277 PRESSURE: 265800 -27.8696 115.774 -32.587 115.775 -340.78 110.152 -32.5875 110.153 125.436 GPRESSURE: 265800 -47.4469 157.838 84.778 -123.961 -210.918 40.145 -2.09113 97.1169 97.4748 PRESSAVG: 265800 15.2782 -48.231 17.3212 -48.231 -24.5883 -8.83884 17.3212 -8.83885 15.3692 GPRESSAVG: 265800 16.3888 -49.1683 16.7952 -47.8199 -24.175 -9.52072 17.5812 -5.55681 13.9286 TIMING: 265800 CPU: 844.475, 0.00315528/step Wall: 844.475, 0.00315528/step, 4.14937 hours remaining, 229.664062 MB of memory in use. ENERGY: 265800 3938.3440 20572.0411 14490.1313 264.5290 -203257.5016 2407.8354 0.0000 0.0000 52317.5570 -109267.0638 300.6697 -161584.6208 -108903.1494 299.9126 -81.0714 -53.6300 761279.5040 2.0197 2.0475 PRESSURE: 266000 105.765 -58.3293 12.1337 -58.3297 7.81542 52.6837 12.1333 52.6845 136.898 GPRESSURE: 266000 76.0991 -48.0114 82.3495 -170.199 73.9271 29.7209 111.064 3.9281 190.996 PRESSAVG: 266000 -29.6716 -35.3575 30.8108 -35.3575 20.2329 -42.9442 30.8108 -42.9442 -20.2476 GPRESSAVG: 266000 -30.251 -36.4828 30.6627 -36.7123 19.8624 -42.0742 31.6001 -44.6829 -19.9633 TIMING: 266000 CPU: 845.102, 0.00313587/step Wall: 845.102, 0.00313587/step, 4.12367 hours remaining, 229.664062 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: 266000 3962.1930 20634.8204 14453.2631 239.9760 -203355.3816 2507.4068 0.0000 0.0000 52326.0030 -109231.7193 300.7183 -161557.7223 -108876.7314 299.8487 83.4929 113.6740 760425.2597 -9.8954 -10.1173 PRESSURE: 266200 73.6566 -24.1338 -36.4661 -24.1335 -101.886 227.213 -36.4662 227.213 -550.762 GPRESSURE: 266200 -7.03459 -62.6604 -80.1731 20.7267 -107.439 228.546 68.2066 190.504 -379.185 PRESSAVG: 266200 43.361 0.414036 50.7203 0.414002 -17.3241 32.3246 50.7203 32.3246 -8.41265 GPRESSAVG: 266200 42.854 1.04294 51.665 2.28379 -16.9101 32.0046 52.6595 31.8514 -8.02245 TIMING: 266200 CPU: 845.731, 0.00314473/step Wall: 845.731, 0.00314473/step, 4.13514 hours remaining, 229.664062 MB of memory in use. ENERGY: 266200 3936.4088 20419.2811 14459.2396 243.5490 -203390.7834 2566.5452 0.0000 0.0000 52379.9422 -109385.8175 301.0282 -161765.7597 -109011.2876 300.2175 -192.9971 -164.5528 761543.6025 5.8748 5.9738 PRESSURE: 266400 -28.0352 -95.6247 14.4902 -95.6252 -288.087 -21.9033 14.4899 -21.902 -141.276 GPRESSURE: 266400 -48.95 10.2598 -16.3098 -85.0214 -232.301 -55.5395 134.053 -79.942 -95.6577 PRESSAVG: 266400 -3.59756 -57.8803 16.1261 -57.8802 2.11762 7.33295 16.1261 7.33298 9.67258 GPRESSAVG: 266400 -2.41458 -56.2946 15.6249 -58.2567 1.85835 8.35677 12.8337 8.55401 8.62859 TIMING: 266400 CPU: 846.363, 0.00315909/step Wall: 846.363, 0.00315909/step, 4.15385 hours remaining, 229.664062 MB of memory in use. ENERGY: 266400 4010.7394 20667.6293 14461.7101 242.1892 -203242.7986 2637.5420 0.0000 0.0000 52023.2814 -109199.7072 298.9785 -161222.9886 -108850.2467 299.8430 -152.4660 -125.6362 761591.1254 2.7309 2.6908 PRESSURE: 266600 -25.9211 218.005 107.78 218.004 205.893 -213.291 107.78 -213.291 36.7785 GPRESSURE: 266600 28.0778 128.507 151.39 299.908 202.333 -317.236 76.4716 -259.673 60.5317 PRESSAVG: 266600 22.1193 -40.9581 10.8075 -40.958 0.909128 -19.8465 10.8075 -19.8465 19.049 GPRESSAVG: 266600 22.2033 -43.2509 10.0761 -41.8744 0.394489 -22.2433 12.7021 -20.6766 19.5508 TIMING: 266600 CPU: 846.992, 0.00314678/step Wall: 846.992, 0.00314678/step, 4.13749 hours remaining, 229.664062 MB of memory in use. ENERGY: 266600 3908.1431 20453.7375 14481.1802 250.4461 -203329.5552 2863.4691 0.0000 0.0000 52091.9727 -109280.6066 299.3733 -161372.5793 -108918.9641 299.4605 72.2501 96.9808 762264.3899 14.0258 14.0495 PRESSURE: 266800 -197.034 84.6559 152.646 84.6559 -377.16 13.238 152.646 13.2383 205.556 GPRESSURE: 266800 -206.857 39.0082 39.8755 85.3746 -309.795 -4.92323 38.0813 -13.8665 227.889 PRESSAVG: 266800 -5.72895 -9.46896 -33.1398 -9.46897 -20.7907 -58.8663 -33.1398 -58.8663 1.22341 GPRESSAVG: 266800 -5.92815 -8.11169 -32.2997 -8.40398 -20.3347 -56.5158 -36.3784 -58.4958 1.23949 TIMING: 266800 CPU: 847.619, 0.00313547/step Wall: 847.619, 0.00313547/step, 4.12245 hours remaining, 229.664062 MB of memory in use. ENERGY: 266800 3917.3737 20525.2120 14408.5887 227.6999 -202849.8088 2514.7342 0.0000 0.0000 52222.3383 -109033.8620 300.1225 -161256.2002 -108679.1843 299.9496 -122.8791 -96.2541 762997.5422 -8.4321 -8.3411 PRESSURE: 267000 19.4984 156.292 -213.214 156.291 -145.575 -56.1824 -213.214 -56.1825 -337.971 GPRESSURE: 267000 -24.9417 83.7341 -196.26 116.348 -36.4524 -65.3412 -138.168 -22.234 -306.91 PRESSAVG: 267000 -17.266 17.9506 19.7469 17.9507 16.8696 -41.8949 19.7469 -41.8949 4.24094 GPRESSAVG: 267000 -17.5565 19.3432 20.0006 16.8907 17.3399 -43.8338 22.8648 -40.9348 3.56271 TIMING: 267000 CPU: 848.243, 0.00312137/step Wall: 848.243, 0.00312137/step, 4.10374 hours remaining, 229.664062 MB of memory in use. ENERGY: 267000 4005.9264 20619.4737 14369.9509 246.7632 -203113.4647 2475.5964 0.0000 0.0000 52429.1383 -108966.6158 301.3110 -161395.7541 -108608.6816 300.5826 -154.6824 -122.7681 761885.3514 1.2815 1.1154 PRESSURE: 267200 -378.744 -25.0282 -161.672 -25.0286 87.5253 165.816 -161.673 165.817 111.543 GPRESSURE: 267200 -265.598 -67.881 -129.298 31.941 42.7261 192.572 -115.596 120.567 141.458 PRESSAVG: 267200 -35.2358 -28.3848 21.9627 -28.3848 38.6931 6.74874 21.9627 6.74876 -8.89782 GPRESSAVG: 267200 -33.652 -29.7575 22.2618 -26.4816 37.9182 8.58104 21.8415 6.03064 -9.60513 TIMING: 267200 CPU: 848.871, 0.00313567/step Wall: 848.871, 0.00313567/step, 4.12236 hours remaining, 229.664062 MB of memory in use. ENERGY: 267200 3910.8072 20590.1128 14455.0192 237.6979 -203437.8192 2783.0981 0.0000 0.0000 52453.5578 -109007.5263 301.4513 -161461.0840 -108641.0214 300.9463 -59.8918 -27.1380 762284.8192 -1.8135 -1.7797 PRESSURE: 267400 80.9323 -106.271 156.718 -106.271 -196.717 -191.861 156.718 -191.861 -434.704 GPRESSURE: 267400 29.5815 -51.4624 148.04 -88.6972 -121.809 -149.41 156.385 -19.4721 -368.237 PRESSAVG: 267400 -13.1925 29.9663 41.0577 29.9663 52.7911 -21.9401 41.0576 -21.9401 23.1628 GPRESSAVG: 267400 -13.9662 28.4312 40.238 30.9693 52.0199 -22.1183 41.0693 -21.4086 24.4346 TIMING: 267400 CPU: 849.501, 0.00315305/step Wall: 849.501, 0.00315305/step, 4.14503 hours remaining, 229.664062 MB of memory in use. ENERGY: 267400 3971.0475 20576.5130 14460.3502 250.9612 -203028.1536 2437.8082 0.0000 0.0000 52272.6943 -109058.7793 300.4119 -161331.4736 -108694.5950 300.5107 -183.4964 -153.4882 761398.8003 20.9205 20.8294 PRESSURE: 267600 267.762 -1.68171 -329.77 -1.68214 -331.587 -176.252 -329.77 -176.251 166.887 GPRESSURE: 267600 242.353 54.4945 -293.666 -48.0949 -227.264 -149.491 -232.848 -197.143 160.123 PRESSAVG: 267600 -4.43375 -35.2262 -6.22516 -35.2262 -32.8383 8.38395 -6.22514 8.38394 19.4084 GPRESSAVG: 267600 -5.50856 -33.3453 -6.39552 -39.3939 -31.5559 8.4553 -7.53361 5.03903 18.741 TIMING: 267600 CPU: 850.134, 0.00316575/step Wall: 850.134, 0.00316575/step, 4.16155 hours remaining, 229.664062 MB of memory in use. ENERGY: 267600 3958.2382 20571.7968 14507.5598 265.4908 -203394.6367 2546.5452 0.0000 0.0000 52260.2009 -109284.8049 300.3401 -161545.0059 -108914.1298 300.1523 34.3541 58.4041 761140.1072 -5.9545 -6.1078 PRESSURE: 267800 -223.916 172.31 124.074 172.309 348.464 -117.215 124.074 -117.214 229.638 GPRESSURE: 267800 -86.3615 154.899 113.474 216.609 283.18 -141.538 154.333 -53.0417 255.068 PRESSAVG: 267800 -25.7107 -64.4178 -17.0161 -64.4178 -13.3979 9.33129 -17.0161 9.33128 5.22673 GPRESSAVG: 267800 -25.2811 -66.1127 -17.662 -62.3202 -14.578 8.07475 -16.2917 12.3487 5.83831 TIMING: 267800 CPU: 850.768, 0.00316632/step Wall: 850.768, 0.00316632/step, 4.16213 hours remaining, 229.664062 MB of memory in use. ENERGY: 267800 4011.9428 20569.0111 14512.1752 263.6596 -203387.3401 2517.8151 0.0000 0.0000 52259.9049 -109252.8313 300.3384 -161512.7362 -108884.5775 300.7208 118.0619 150.6290 760678.7676 -11.2940 -11.3403 PRESSURE: 268000 -38.739 18.6036 288.88 18.6031 -16.1603 61.8814 288.878 61.8832 -204.413 GPRESSURE: 268000 33.8046 70.9032 302.897 15.1359 -22.5676 22.0209 149.069 192.959 -184.48 PRESSAVG: 268000 5.23853 -20.5091 15.187 -20.5091 -15.2255 7.20298 15.187 7.20304 -8.57901 GPRESSAVG: 268000 3.98223 -17.6241 17.7121 -20.9526 -14.4842 9.19315 13.8842 5.90774 -8.01379 TIMING: 268000 CPU: 851.397, 0.00314711/step Wall: 851.397, 0.00314711/step, 4.13671 hours remaining, 229.664062 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: 268000 4038.2699 20525.0243 14486.8177 229.8616 -203715.8428 2739.4422 0.0000 0.0000 52415.1383 -109281.2889 301.2305 -161696.4272 -108907.0973 300.0389 -86.4375 -57.7476 761934.9360 -6.1886 -6.1719 PRESSURE: 268200 -33.0294 -127.562 89.4127 -127.562 -190.661 -65.1556 89.4133 -65.1564 -259.65 GPRESSURE: 268200 -22.4461 -139.5 23.8163 -134.904 -191.636 -34.7623 52.4947 -75.6416 -198.258 PRESSAVG: 268200 4.15478 -32.4564 31.2988 -32.4564 53.8268 -11.9901 31.2988 -11.9901 6.24718 GPRESSAVG: 268200 4.59501 -35.328 29.3873 -31.5148 54.8461 -12.5128 32.0212 -13.3382 4.4275 TIMING: 268200 CPU: 852.028, 0.00315384/step Wall: 852.028, 0.00315384/step, 4.14537 hours remaining, 229.664062 MB of memory in use. ENERGY: 268200 4068.2181 20634.0261 14525.5730 256.4126 -203473.8509 2496.3394 0.0000 0.0000 52021.5775 -109471.7042 298.9687 -161493.2817 -109112.0547 300.4225 -161.1135 -137.4466 759652.9878 21.4096 21.2895 LDB: ============= START OF LOAD BALANCING ============== 864.448 LDB: ============== END OF LOAD BALANCING =============== 864.449 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.45 LDB: ============= START OF LOAD BALANCING ============== 864.765 LDB: Largest compute 7074 load 0.036482 is 18.7% of average load 0.194799 LDB: Average compute 0.004439 is 2.3% of average load 0.194799 LDB: TIME 864.769 LOAD: AVG 0.194799 MAX 0.209482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.469 MB LDB: TIME 864.769 LOAD: AVG 0.194799 MAX 0.209482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.469 MB LDB: TIME 864.769 LOAD: AVG 0.194799 MAX 0.209482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.469 MB LDB: ============== END OF LOAD BALANCING =============== 864.771 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.776 PRESSURE: 268400 10.359 -122.592 -19.1594 -122.592 101.183 -159.029 -19.16 -159.029 -272.854 GPRESSURE: 268400 71.2073 -28.8576 56.1079 -107.121 132.938 -176.069 -42.7522 -105.016 -260.89 PRESSAVG: 268400 -17.5303 -14.0167 23.474 -14.0168 20.8605 -17.7819 23.474 -17.7818 1.14051 GPRESSAVG: 268400 -16.8939 -12.1399 24.652 -15.7447 19.7271 -16.8182 23.4167 -14.6356 1.72348 TIMING: 268400 CPU: 852.67, 0.00321129/step Wall: 852.67, 0.00321129/step, 4.2207 hours remaining, 230.746094 MB of memory in use. ENERGY: 268400 3970.5520 20499.5857 14467.7303 238.6562 -203218.0302 2391.1307 0.0000 0.0000 52272.2073 -109378.1679 300.4091 -161650.3752 -109009.3237 299.6398 -53.7707 -18.9149 761145.6376 1.4902 1.5189 PRESSURE: 268600 201.592 145.706 -162.325 145.706 66.394 6.83291 -162.324 6.8315 159.984 GPRESSURE: 268600 237.333 37.2489 -180.321 100.869 92.9483 -11.3025 -220.473 -14.3215 189.643 PRESSAVG: 268600 -21.1824 49.184 26.539 49.184 -14.9952 -7.93725 26.5389 -7.93728 15.6256 GPRESSAVG: 268600 -19.8168 50.3542 26.5535 49.5933 -15.6768 -9.06114 27.4936 -9.39343 15.1861 TIMING: 268600 CPU: 853.3, 0.00314984/step Wall: 853.3, 0.00314984/step, 4.13977 hours remaining, 231.277344 MB of memory in use. ENERGY: 268600 3929.1082 20624.0055 14472.8475 254.5182 -203097.2519 2482.2880 0.0000 0.0000 52020.1413 -109314.3431 298.9605 -161334.4845 -108943.0035 299.9227 142.6568 173.3081 762457.6865 -6.8507 -6.7692 PRESSURE: 268800 146.247 -79.0294 -88.4036 -79.0284 -43.7517 -102.575 -88.4035 -102.575 -17.3185 GPRESSURE: 268800 67.1923 -161.614 -78.4905 -156.67 9.08255 -3.67835 -155.632 -96.9544 95.3679 PRESSAVG: 268800 -66.8712 -21.4483 10.5351 -21.4483 47.0204 -16.7539 10.535 -16.7538 1.47566 GPRESSAVG: 268800 -68.5019 -23.3685 10.0515 -20.4292 47.0192 -17.4398 10.6723 -15.7294 2.90738 TIMING: 268800 CPU: 853.929, 0.00314322/step Wall: 853.929, 0.00314322/step, 4.13088 hours remaining, 231.277344 MB of memory in use. ENERGY: 268800 3932.6773 20661.6097 14460.5366 248.1068 -203728.8277 2903.4698 0.0000 0.0000 52259.7251 -109262.7024 300.3374 -161522.4275 -108893.0816 300.1657 28.3921 57.2142 762828.8873 -6.1251 -6.1918 PRESSURE: 269000 96.8691 114.541 -114.924 114.541 180.911 258.386 -114.924 258.388 -288.957 GPRESSURE: 269000 243.575 8.33704 -99.3929 206.246 207.853 280.8 -111.763 104.29 -376.901 PRESSAVG: 269000 26.3954 25.9621 64.2205 25.9621 0.194849 57.6442 64.2205 57.6443 -2.15214 GPRESSAVG: 269000 26.7791 26.0956 64.5734 25.8636 1.61987 55.8902 65.0298 58.2571 -4.11129 TIMING: 269000 CPU: 854.555, 0.00313444/step Wall: 854.555, 0.00313444/step, 4.11918 hours remaining, 231.480469 MB of memory in use. ENERGY: 269000 3966.6367 20452.0198 14510.7076 239.2516 -203599.3191 2688.3098 0.0000 0.0000 52277.9885 -109464.4051 300.4423 -161742.3936 -109092.0270 300.6393 -3.7256 24.8420 759754.3866 8.1460 8.0959 PRESSURE: 269200 -471.673 -168.757 -10.2376 -168.757 -273.454 70.5187 -10.2384 70.5181 -213.154 GPRESSURE: 269200 -481.399 -67 -86.1179 -55.6538 -150.957 92.8294 29.9377 -6.7227 -224.608 PRESSAVG: 269200 62.4563 0.350448 26.3702 0.350385 -75.4426 -5.26367 26.3702 -5.26368 -9.50566 GPRESSAVG: 269200 62.0424 -1.48091 25.1038 3.17213 -76.2941 -1.82125 26.4716 -7.92807 -7.88519 TIMING: 269200 CPU: 855.181, 0.0031265/step Wall: 855.181, 0.0031265/step, 4.10857 hours remaining, 231.480469 MB of memory in use. ENERGY: 269200 4066.1931 20549.6326 14441.9867 238.9095 -203292.4802 2545.8857 0.0000 0.0000 51957.9139 -109491.9587 298.6028 -161449.8726 -109140.5707 299.8598 -319.4272 -285.6546 763281.2530 -7.4973 -7.3789 PRESSURE: 269400 117.373 47.8659 155.878 47.8662 142.309 -120.946 155.878 -120.947 88.4295 GPRESSURE: 269400 89.4899 112.375 202.226 138.451 202.824 -175.036 112.069 -37.6322 137.235 PRESSAVG: 269400 10.4526 38.2883 37.3643 38.2882 -42.5337 -35.7611 37.3644 -35.7611 -18.6978 GPRESSAVG: 269400 10.3399 39.5141 38.7605 36.6437 -41.5738 -37.5017 35.6869 -34.173 -19.4638 TIMING: 269400 CPU: 855.807, 0.00312872/step Wall: 855.807, 0.00312872/step, 4.11131 hours remaining, 231.480469 MB of memory in use. ENERGY: 269400 3943.2808 20611.4150 14496.1453 241.8803 -203792.2927 3020.2246 0.0000 0.0000 52013.7003 -109465.6464 298.9235 -161479.3467 -109109.2214 299.8274 116.0372 143.1830 761241.7637 -16.9263 -16.8992 PRESSURE: 269600 -222.431 -143.817 109.481 -143.817 -441.012 -115.005 109.482 -115.006 -64.2581 GPRESSURE: 269600 -217.809 -163.935 144.824 -161.386 -412.846 -173.957 36.4282 -62.4034 -16.445 PRESSAVG: 269600 -20.7417 -54.3847 15.4444 -54.3848 17.3294 6.21536 15.4443 6.21537 3.94 GPRESSAVG: 269600 -21.8394 -56.1112 16.4941 -53.9471 17.3413 6.03891 14.1557 5.61354 4.77882 TIMING: 269600 CPU: 856.434, 0.00313674/step Wall: 856.434, 0.00313674/step, 4.12167 hours remaining, 231.480469 MB of memory in use. ENERGY: 269600 3950.8444 20479.5891 14550.5814 248.0072 -203080.9437 2278.1259 0.0000 0.0000 51997.9915 -109575.8043 298.8332 -161573.7958 -109203.8136 300.0306 -242.5671 -215.7000 761679.5098 0.1759 0.0936 PRESSURE: 269800 -58.6997 -42.8451 93.7788 -42.8452 144.692 -96.6786 93.7784 -96.6792 89.0129 GPRESSURE: 269800 97.039 -88.4235 78.9375 -2.72008 137.354 -85.5119 136.003 -139.991 38.3095 PRESSAVG: 269800 34.3202 -26.5799 -0.0585696 -26.5798 -37.1863 -5.39811 -0.0586156 -5.39811 2.72849 GPRESSAVG: 269800 36.8198 -25.4808 -1.94196 -28.0756 -38.4807 -5.93293 2.0004 -6.13293 0.962926 TIMING: 269800 CPU: 857.061, 0.00313382/step Wall: 857.061, 0.00313382/step, 4.11766 hours remaining, 231.480469 MB of memory in use. ENERGY: 269800 4057.2132 20429.8941 14503.3062 244.8270 -203813.9292 2823.1300 0.0000 0.0000 52045.5524 -109710.0063 299.1065 -161755.5587 -109357.5611 299.5127 58.3351 90.9010 760399.0236 -0.0459 -0.2326 PRESSURE: 270000 34.0659 -74.0713 -41.5078 -74.0716 53.6854 -200.037 -41.508 -200.038 -168.134 GPRESSURE: 270000 45.0336 -27.9808 -61.8034 -51.1536 49.3883 -167.528 58.8555 -120.748 -105.614 PRESSAVG: 270000 12.0859 -21.4931 54.0357 -21.493 -33.7167 0.541692 54.0357 0.541621 1.68448 GPRESSAVG: 270000 11.3858 -21.3143 53.5231 -20.4302 -33.9244 2.9486 54.1869 0.761924 2.83114 TIMING: 270000 CPU: 857.692, 0.00315503/step Wall: 857.692, 0.00315503/step, 4.14535 hours remaining, 231.480469 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: 270000 3991.8072 20506.6759 14469.9812 257.8950 -203796.5783 2581.8326 0.0000 0.0000 52031.9011 -109956.4852 299.0281 -161988.3863 -109594.9106 298.6555 -26.7942 -3.7307 759865.9809 -6.6487 -6.5692 PRESSURE: 270200 -67.1691 238.147 77.4786 238.147 -17.4129 176.654 77.4778 176.654 -201.141 GPRESSURE: 270200 -68.8811 181.78 148.94 138.465 52.3828 217.574 -53.8998 250.01 -186.876 PRESSAVG: 270200 -38.0896 -39.7423 9.71736 -39.7423 -2.91868 -52.6767 9.71734 -52.6766 8.63725 GPRESSAVG: 270200 -38.4523 -41.3844 12.5098 -38.0272 -2.91108 -54.9394 9.15429 -52.4183 8.38825 TIMING: 270200 CPU: 858.322, 0.00314987/step Wall: 858.322, 0.00314987/step, 4.13841 hours remaining, 231.480469 MB of memory in use. ENERGY: 270200 4024.0521 20477.3004 14436.1579 221.8024 -204062.2355 2897.7613 0.0000 0.0000 51925.2304 -110079.9311 298.4150 -162005.1615 -109716.5126 298.2555 -95.2411 -67.7914 760910.1596 -10.7903 -10.9917 PRESSURE: 270400 -301.293 34.5252 -344.5 34.5251 283.602 107.699 -344.499 107.701 422.24 GPRESSURE: 270400 -215.159 -17.0149 -308.383 -5.13897 382.109 124.615 -261.167 -64.1868 321.43 PRESSAVG: 270400 -29.7469 -19.268 -18.0125 -19.2681 28.8224 -12.3809 -18.0125 -12.3808 -16.8999 GPRESSAVG: 270400 -29.707 -17.0773 -21.2445 -21.4897 29.369 -11.1705 -17.7858 -12.525 -17.4439 TIMING: 270400 CPU: 858.953, 0.00315763/step Wall: 858.953, 0.00315763/step, 4.14842 hours remaining, 231.480469 MB of memory in use. ENERGY: 270400 3912.6281 20538.2583 14479.9024 253.1578 -203713.9208 2553.5840 0.0000 0.0000 51864.5711 -110111.8190 298.0664 -161976.3902 -109749.1663 298.5833 134.8493 162.7935 759710.7320 -5.9415 -5.9273 PRESSURE: 270600 -81.3418 -12.628 -178.35 -12.6278 147.183 48.2004 -178.35 48.2009 -89.7691 GPRESSURE: 270600 11.9313 110.776 -220.688 92.4086 110.996 50.1036 -179.42 -71.0191 -93.6261 PRESSAVG: 270600 -30.7126 3.4286 -75.2059 3.42865 12.8675 24.8256 -75.2059 24.8256 5.55884 GPRESSAVG: 270600 -30.9325 1.52189 -73.7603 5.16209 12.1039 24.6101 -76.2035 23.9085 6.20227 TIMING: 270600 CPU: 859.584, 0.00315674/step Wall: 859.584, 0.00315675/step, 4.14709 hours remaining, 231.480469 MB of memory in use. ENERGY: 270600 4004.5958 20423.8785 14493.9976 250.0776 -203776.9388 2861.0991 0.0000 0.0000 51665.9481 -110077.3423 296.9249 -161743.2904 -109722.1468 297.8173 -7.9760 9.7671 761711.4469 -4.0954 -4.2088 PRESSURE: 270800 -90.7776 41.0843 89.9877 41.0848 28.1385 42.6113 89.9878 42.6114 149.682 GPRESSURE: 270800 -68.5218 85.0229 200.399 10.818 82.5291 126.928 112.963 64.0958 170.384 PRESSAVG: 270800 30.0824 -30.2444 -16.885 -30.2444 -60.2316 -12.536 -16.885 -12.536 33.4801 GPRESSAVG: 270800 30.0641 -27.6108 -16.9098 -34.4466 -59.9955 -13.0586 -16.1971 -11.1775 33.3911 TIMING: 270800 CPU: 860.215, 0.00315034/step Wall: 860.215, 0.00315034/step, 4.1385 hours remaining, 231.480469 MB of memory in use. ENERGY: 270800 3941.6032 20471.0642 14427.4477 248.6241 -203491.5861 2445.7149 0.0000 0.0000 51962.8735 -109994.2583 298.6313 -161957.1318 -109634.3002 297.9769 29.0142 61.4637 760253.4144 1.1103 1.1532 PRESSURE: 271000 200.445 37.8822 -101.852 37.8822 -273.121 -230.703 -101.852 -230.703 189.571 GPRESSURE: 271000 239.643 106.374 -35.9709 -18.1376 -195.769 -206.569 -109.211 -261.082 168.272 PRESSAVG: 271000 72.0653 20.3342 35.1808 20.3342 -2.3279 -40.8415 35.1808 -40.8416 -2.95121 GPRESSAVG: 271000 71.4884 20.4855 35.6335 21.6895 -1.99762 -40.5292 36.4262 -39.1107 -3.41649 TIMING: 271000 CPU: 860.843, 0.00314199/step Wall: 860.843, 0.00314199/step, 4.12735 hours remaining, 231.480469 MB of memory in use. ENERGY: 271000 4002.5258 20240.2260 14412.7669 231.2132 -203493.9967 2543.9576 0.0000 0.0000 51863.3105 -110199.9967 298.0592 -162063.3073 -109838.0506 297.9942 38.9651 70.7152 758223.4493 22.2621 22.0248 PRESSURE: 271200 1.4268 -47.0021 -57.0326 -47.002 156.09 74.4026 -57.032 74.4023 -72.4866 GPRESSURE: 271200 40.2816 -1.13861 -50.7145 51.1066 116.756 65.6582 -176.701 -25.8018 15.153 PRESSAVG: 271200 -14.2862 -17.5068 -8.35068 -17.5067 1.52184 -29.0858 -8.35061 -29.0857 -6.74995 GPRESSAVG: 271200 -15.0298 -18.2425 -9.78048 -13.9379 0.928153 -31.4159 -11.4751 -29.1589 -5.74021 TIMING: 271200 CPU: 861.472, 0.00314411/step Wall: 861.472, 0.00314411/step, 4.12997 hours remaining, 231.480469 MB of memory in use. ENERGY: 271200 3979.0793 20413.1222 14375.1852 252.6350 -203850.5992 2860.6072 0.0000 0.0000 51922.2923 -110047.6781 298.3981 -161969.9703 -109690.9971 297.7982 28.3433 57.3970 760022.8092 -6.5048 -6.6140 PRESSURE: 271400 208.522 35.4406 -50.3476 35.4408 -118.353 9.89186 -50.347 9.89184 -332.951 GPRESSURE: 271400 278.508 -91.5326 -60.8911 44.1816 -100.891 -60.2784 -102.614 86.3175 -334.445 PRESSAVG: 271400 48.408 -10.2981 -13.1941 -10.2982 -42.0481 -5.19915 -13.1941 -5.19914 18.8822 GPRESSAVG: 271400 49.2205 -10.5759 -12.7841 -13.122 -41.2757 -2.31062 -10.8985 -7.9002 17.9644 TIMING: 271400 CPU: 862.097, 0.00312712/step Wall: 862.097, 0.00312712/step, 4.10748 hours remaining, 231.480469 MB of memory in use. ENERGY: 271400 3987.3982 20243.1301 14376.6841 243.6259 -203430.9420 2424.5085 0.0000 0.0000 51985.3496 -110170.2457 298.7605 -162155.5953 -109798.4185 298.1525 -80.9272 -52.2761 760228.4553 8.4140 8.6364 PRESSURE: 271600 28.4192 -179.751 9.39745 -179.751 -207.64 -91.531 9.39801 -91.5299 -479.97 GPRESSURE: 271600 35.9826 -158.62 -8.1967 -174.112 -119.445 22.4502 -8.0635 -74.0011 -484.069 PRESSAVG: 271600 42.3057 26.9088 -48.2431 26.9088 -32.5686 -18.6166 -48.2431 -18.6166 5.64736 GPRESSAVG: 271600 42.2373 27.5806 -47.0231 26.9231 -33.2415 -19.5783 -49.7541 -17.9903 5.69203 TIMING: 271600 CPU: 862.725, 0.00313997/step Wall: 862.725, 0.00313997/step, 4.12418 hours remaining, 231.480469 MB of memory in use. ENERGY: 271600 4024.0894 20184.8964 14475.1579 229.6055 -203084.7951 2157.9631 0.0000 0.0000 52051.1206 -109961.9622 299.1385 -162013.0829 -109609.4498 298.2521 -219.7301 -189.1770 761409.8846 5.1282 4.8959 PRESSURE: 271800 485.531 90.7402 -53.4655 90.7403 311.546 -41.8121 -53.4658 -41.8132 538.684 GPRESSURE: 271800 528.154 223.689 57.6844 34.0622 365.6 -39.0296 -10.8774 -26.5694 540.244 PRESSAVG: 271800 10.1203 -18.1017 -25.2225 -18.1017 -24.7649 67.4221 -25.2225 67.4222 12.093 GPRESSAVG: 271800 8.5845 -19.5176 -24.016 -15.1185 -23.6157 65.988 -23.8725 68.6795 12.5042 TIMING: 271800 CPU: 863.355, 0.00314696/step Wall: 863.355, 0.00314696/step, 4.13318 hours remaining, 231.480469 MB of memory in use. ENERGY: 271800 3870.1188 20308.8916 14402.2721 238.3487 -204094.3157 3124.3857 0.0000 0.0000 52016.1398 -110134.1590 298.9375 -162150.2988 -109771.2891 298.3658 445.2541 477.9991 758483.5896 -0.8505 -0.8423 PRESSURE: 272000 309.022 -11.6415 117.564 -11.6409 241.583 118.122 117.565 118.122 52.427 GPRESSURE: 272000 359.951 -108.857 68.2363 -53.9111 245.986 123.069 -69.052 114.805 97.5967 PRESSAVG: 272000 62.4721 21.5548 11.7734 21.5549 -43.0236 -17.7789 11.7734 -17.7788 30.7836 GPRESSAVG: 272000 63.26 21.9705 9.65239 18.7707 -42.4548 -16.6748 11.812 -18.0932 29.7417 TIMING: 272000 CPU: 863.98, 0.00312623/step Wall: 863.98, 0.00312623/step, 4.10578 hours remaining, 231.480469 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: 272000 3973.0667 20413.6603 14417.4600 249.6959 -203490.7735 2876.7611 0.0000 0.0000 51434.3753 -110125.7542 295.5941 -161560.1295 -109766.9607 297.4743 201.0106 234.5115 759424.5394 16.7440 16.8490 PRESSURE: 272200 80.155 21.5164 -51.7663 21.5162 -411.08 63.1748 -51.7665 63.1747 -71.2963 GPRESSURE: 272200 67.9648 57.4587 -41.8068 -99.3911 -335.409 147.983 -119.211 76.1649 -70.6043 PRESSAVG: 272200 19.3068 -54.6846 -6.07361 -54.6846 -49.0669 2.87508 -6.07368 2.87511 -10.6699 GPRESSAVG: 272200 19.8716 -52.8302 -6.09433 -55.1429 -50.2476 3.6312 -7.32051 2.60686 -10.4938 TIMING: 272200 CPU: 864.606, 0.00313064/step Wall: 864.606, 0.00313064/step, 4.1114 hours remaining, 231.480469 MB of memory in use. ENERGY: 272200 4009.6223 20455.7379 14442.7545 235.3965 -203349.3890 2324.5053 0.0000 0.0000 51846.8039 -110034.5686 297.9643 -161881.3726 -109670.8248 298.1696 -134.0738 -112.6829 760210.5293 -13.4766 -13.6233 LDB: ============= START OF LOAD BALANCING ============== 877.025 LDB: ============== END OF LOAD BALANCING =============== 877.025 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 877.026 LDB: ============= START OF LOAD BALANCING ============== 877.341 LDB: Largest compute 7074 load 0.036612 is 18.8% of average load 0.194887 LDB: Average compute 0.004429 is 2.3% of average load 0.194887 LDB: TIME 877.345 LOAD: AVG 0.194887 MAX 0.209681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.871 MB LDB: TIME 877.345 LOAD: AVG 0.194887 MAX 0.209681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.871 MB LDB: TIME 877.345 LOAD: AVG 0.194887 MAX 0.209681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.871 MB LDB: ============== END OF LOAD BALANCING =============== 877.347 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 877.352 PRESSURE: 272400 -74.856 190.82 -117.088 190.821 -277.539 -64.5071 -117.089 -64.5073 -43.9915 GPRESSURE: 272400 7.96307 155.846 -138.076 135.248 -287.627 -8.97476 -94.7934 -78.5861 -37.7725 PRESSAVG: 272400 39.0939 -5.52944 8.85076 -5.5295 -14.0257 -25.8758 8.85072 -25.8759 4.77926 GPRESSAVG: 272400 38.7494 -8.1212 8.2603 -2.53244 -14.3727 -26.809 10.8072 -26.9772 5.02225 TIMING: 272400 CPU: 865.246, 0.00319953/step Wall: 865.246, 0.00319953/step, 4.2017 hours remaining, 230.414062 MB of memory in use. ENERGY: 272400 3914.5943 20555.5001 14446.6713 242.2844 -203390.0557 2412.3651 0.0000 0.0000 51949.4988 -109869.1416 298.5545 -161818.6404 -109509.3136 298.4076 -132.1289 -105.8121 761422.1041 9.9491 9.7996 PRESSURE: 272600 -9.77903 -50.7125 -10.4604 -50.712 -147.774 -130.766 -10.4606 -130.767 -419.71 GPRESSURE: 272600 -31.2847 -40.7402 26.9718 6.49865 -129.194 -31.5997 -112.166 -187.675 -325.393 PRESSAVG: 272600 15.7486 24.8013 -17.7873 24.8013 -22.986 -63.3321 -17.7874 -63.3321 -10.2441 GPRESSAVG: 272600 16.3247 25.0866 -15.8443 22.7056 -23.4719 -62.423 -19.0131 -63.9421 -10.4525 TIMING: 272600 CPU: 865.872, 0.00312981/step Wall: 865.872, 0.00312981/step, 4.10996 hours remaining, 230.671875 MB of memory in use. ENERGY: 272600 3949.4418 20581.1657 14356.3170 246.0240 -203617.4736 2580.1825 0.0000 0.0000 51969.1103 -109935.2323 298.6672 -161904.3426 -109573.4948 298.8012 -192.4210 -161.9572 760718.8830 -5.8272 -5.8666 PRESSURE: 272800 130.978 -92.0568 98.8353 -92.0568 120.658 100.583 98.836 100.583 -254.014 GPRESSURE: 272800 170.031 -108.163 3.6824 -102.83 150.088 66.1555 96.9036 195.509 -245.779 PRESSAVG: 272800 46.4527 53.7129 10.5102 53.7128 -5.92016 -49.5132 10.5101 -49.5133 27.0059 GPRESSAVG: 272800 45.8214 54.5372 9.60134 55.5187 -5.28641 -49.7849 10.8475 -47.6944 27.4849 TIMING: 272800 CPU: 866.5, 0.00313945/step Wall: 866.5, 0.00313945/step, 4.12244 hours remaining, 230.945312 MB of memory in use. ENERGY: 272800 3992.8352 20401.7081 14487.7558 271.5440 -204094.4668 2805.9780 0.0000 0.0000 52153.1948 -109981.4510 299.7251 -162134.6458 -109613.2338 298.6214 -0.7927 24.7799 760080.7555 22.5128 22.6733 PRESSURE: 273000 199.683 -7.7633 23.654 -7.76379 62.7984 122.909 23.6548 122.908 -25.5368 GPRESSURE: 273000 105.055 -81.5579 7.49489 2.03198 185.338 35.5422 118.829 72.3685 4.127 PRESSAVG: 273000 33.2663 14.6133 -61.5453 14.6133 -10.8383 13.1011 -61.5452 13.1011 -15.0162 GPRESSAVG: 273000 33.1279 13.5132 -60.6335 13.9335 -10.2478 12.2399 -60.9678 11.9029 -15.5221 TIMING: 273000 CPU: 867.128, 0.00313913/step Wall: 867.128, 0.00313913/step, 4.12185 hours remaining, 230.945312 MB of memory in use. ENERGY: 273000 3990.3055 20516.3834 14455.0377 242.8235 -203591.7691 2655.6503 0.0000 0.0000 51854.2254 -109877.3434 298.0069 -161731.5687 -109512.5619 298.8378 78.9817 98.1733 759912.6712 2.4706 2.4526 PRESSURE: 273200 -352.352 -71.2842 -237.867 -71.284 -305.23 55.7243 -237.866 55.7239 -224.231 GPRESSURE: 273200 -388.356 -168.313 -217.839 70.7369 -186.306 -16.9076 -236.545 -2.69267 -227.669 PRESSAVG: 273200 -57.9322 24.9553 -72.9782 24.9553 36.0425 -3.72888 -72.978 -3.72879 15.245 GPRESSAVG: 273200 -57.5438 25.7174 -73.6155 26.2893 34.9614 -3.97523 -72.7028 -5.85901 15.7453 TIMING: 273200 CPU: 867.761, 0.00316937/step Wall: 867.761, 0.00316937/step, 4.16139 hours remaining, 230.945312 MB of memory in use. ENERGY: 273200 4041.1443 20498.5398 14430.9072 234.4264 -203501.4616 2380.8722 0.0000 0.0000 52090.6851 -109824.8868 299.3659 -161915.5718 -109454.7375 298.5085 -293.9377 -267.4437 762212.3016 -2.2149 -2.2790 PRESSURE: 273400 140.402 -3.54281 75.0741 -3.54186 -242.256 -220.756 75.0737 -220.756 102.407 GPRESSURE: 273400 146.577 -3.51522 37.78 -42.4278 -120.973 -237.856 81.6337 -128.741 59.9604 PRESSAVG: 273400 -45.1214 21.2686 25.0867 21.2686 47.725 -4.23534 25.0867 -4.23537 -3.34518 GPRESSAVG: 273400 -46.5585 20.1947 24.6991 19.5824 49.3493 -5.02285 25.9508 -2.30422 -3.28263 TIMING: 273400 CPU: 868.395, 0.00316983/step Wall: 868.395, 0.00316983/step, 4.16182 hours remaining, 231.085938 MB of memory in use. ENERGY: 273400 4014.6400 20541.8968 14484.5758 237.2611 -203630.0637 2606.5663 0.0000 0.0000 51921.9543 -109823.1693 298.3962 -161745.1236 -109461.2409 298.9594 0.1846 28.5216 760767.2558 -0.2472 -0.1639 PRESSURE: 273600 -187.938 40.9663 72.0949 40.9668 -226.687 -264.167 72.0962 -264.167 245.927 GPRESSURE: 273600 -143.697 -18.677 172.446 86.9121 -255.331 -184.834 77.9016 -91.92 284.557 PRESSAVG: 273600 -16.4065 17.0863 7.19501 17.0863 -42.7935 -27.4911 7.19502 -27.4912 -0.233241 GPRESSAVG: 273600 -15.2707 17.9548 8.5603 16.834 -44.5213 -25.8051 3.83125 -25.5976 0.0435417 TIMING: 273600 CPU: 869.031, 0.00317791/step Wall: 869.031, 0.00317791/step, 4.17224 hours remaining, 231.085938 MB of memory in use. ENERGY: 273600 3925.9248 20429.8985 14440.2992 249.7032 -203887.0911 2787.5998 0.0000 0.0000 52122.4279 -109931.2377 299.5483 -162053.6656 -109568.4259 298.6957 -56.2327 -38.1569 761855.7046 -19.8110 -19.9162 PRESSURE: 273800 -309.722 177.336 143.952 177.337 -188.927 49.364 143.953 49.363 100.104 GPRESSURE: 273800 -308.715 129.804 173.991 168.825 -56.5152 119.941 81.0319 -31.5026 62.3738 PRESSAVG: 273800 -16.6352 -38.9575 27.3132 -38.9575 -2.23841 -17.3379 27.3132 -17.338 42.7352 GPRESSAVG: 273800 -17.0014 -38.6518 26.1127 -40.1634 -1.3688 -18.6371 29.0016 -16.3672 41.6741 TIMING: 273800 CPU: 869.663, 0.00316125/step Wall: 869.663, 0.00316125/step, 4.1502 hours remaining, 231.085938 MB of memory in use. ENERGY: 273800 3918.7767 20474.5621 14454.7460 252.8072 -203660.7520 2756.8207 0.0000 0.0000 51822.3144 -109980.7249 297.8236 -161803.0393 -109623.4807 298.3635 -132.8481 -100.9520 761678.9970 7.9539 7.7680 PRESSURE: 274000 237.791 -89.3072 60.4401 -89.3072 -221.419 30.4854 60.4405 30.4852 110.988 GPRESSURE: 274000 159.276 41.9982 39.7438 -21.3732 -77.2119 19.1796 143.838 126.162 137.083 PRESSAVG: 274000 44.4894 48.5066 15.5684 48.5066 -10.8004 -39.8593 15.5684 -39.8593 -2.45054 GPRESSAVG: 274000 44.2833 50.8854 13.9526 48.5603 -9.91241 -37.949 16.0725 -40.5582 -2.78944 TIMING: 274000 CPU: 870.295, 0.00315895/step Wall: 870.295, 0.00315895/step, 4.147 hours remaining, 231.085938 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: 274000 3961.1690 20427.6935 14453.3332 238.3018 -203729.8434 2721.8171 0.0000 0.0000 52078.7390 -109848.7899 299.2972 -161927.5289 -109491.2574 298.2467 42.4534 73.0491 760867.6351 10.4128 10.5272 PRESSURE: 274200 -154.792 8.44877 91.2359 8.44945 -417.178 -221.301 91.2355 -221.299 101.763 GPRESSURE: 274200 -66.0705 30.3882 62.2914 -21.2129 -343.731 -190.471 151.382 -86.1028 18.6967 PRESSAVG: 274200 7.7771 -14.5439 -39.9312 -14.544 -28.5873 -34.3505 -39.9311 -34.3505 -13.924 GPRESSAVG: 274200 8.31604 -16.9265 -37.152 -13.2145 -29.0928 -36.1835 -39.9977 -34.3552 -14.2818 TIMING: 274200 CPU: 870.927, 0.00315797/step Wall: 870.927, 0.00315797/step, 4.14553 hours remaining, 231.085938 MB of memory in use. ENERGY: 274200 3975.6455 20497.9349 14414.6079 252.1452 -203657.4001 2654.1236 0.0000 0.0000 51978.0803 -109884.8628 298.7187 -161862.9431 -109527.8617 299.0549 -156.7358 -130.3682 762127.5522 -11.5781 -11.6862 PRESSURE: 274400 275.554 -124.868 -0.693802 -124.868 -147.565 -188.662 -0.694299 -188.661 -1.73148 GPRESSURE: 274400 192.871 -36.1183 43.0843 -56.4801 -60.3824 -151.057 -156.209 -197.519 86.3467 PRESSAVG: 274400 25.9972 -33.8112 17.1771 -33.8111 -28.0653 0.760252 17.1771 0.760188 28.3519 GPRESSAVG: 274400 24.8451 -34.1826 16.9321 -33.4739 -28.2714 0.664879 14.7431 -0.722922 29.672 TIMING: 274400 CPU: 871.555, 0.00314071/step Wall: 871.555, 0.00314071/step, 4.12271 hours remaining, 231.085938 MB of memory in use. ENERGY: 274400 3976.6187 20646.6095 14424.0560 257.6988 -203350.9632 2410.6307 0.0000 0.0000 51812.3489 -109823.0007 297.7663 -161635.3496 -109468.7489 298.8680 42.0859 72.9450 761411.5182 8.7613 8.7485 PRESSURE: 274600 108.366 39.9295 8.50802 39.9284 -105.941 -57.9261 8.5082 -57.9265 -284.395 GPRESSURE: 274600 115.595 46.3516 -103.741 -28.8312 -84.3666 -62.6706 117.095 -136.106 -217.169 PRESSAVG: 274600 91.8764 -14.6982 20.638 -14.6982 -65.9035 -34.7418 20.6381 -34.7418 -18.4662 GPRESSAVG: 274600 91.7628 -10.9253 20.0353 -15.9187 -65.0076 -32.1772 24.0536 -35.2437 -19.0906 TIMING: 274600 CPU: 872.181, 0.00313246/step Wall: 872.181, 0.00313246/step, 4.1117 hours remaining, 231.085938 MB of memory in use. ENERGY: 274600 4002.0482 20436.6090 14555.1314 256.1600 -204003.0514 2771.2471 0.0000 0.0000 51995.7105 -109986.1451 298.8201 -161981.8556 -109620.7002 299.0997 -93.9897 -61.9802 760522.7179 2.5022 2.5548 PRESSURE: 274800 -373.247 93.9043 144.919 93.9046 -298.761 -55.0123 144.918 -55.0123 -284.615 GPRESSURE: 274800 -336.741 122.65 125.384 -93.6739 -220.327 -78.535 33.7465 -170.87 -293.53 PRESSAVG: 274800 63.0601 -21.3871 22.317 -21.3871 -45.0195 -67.2755 22.317 -67.2756 29.8838 GPRESSAVG: 274800 63.9309 -25.2849 22.9326 -20.4338 -46.5196 -69.1311 21.0723 -64.9777 31.0022 TIMING: 274800 CPU: 872.808, 0.00313401/step Wall: 872.808, 0.00313401/step, 4.11357 hours remaining, 231.085938 MB of memory in use. ENERGY: 274800 3972.8300 20441.2516 14476.5981 265.6874 -203411.5558 2141.5465 0.0000 0.0000 52178.2370 -109935.4053 299.8690 -162113.6423 -109576.7408 298.3510 -318.8745 -283.5327 759827.7306 15.9748 16.1378 PRESSURE: 275000 25.6721 -62.1702 54.0149 -62.1701 -342.858 42.0526 54.0162 42.0536 -21.344 GPRESSURE: 275000 70.1129 -20.1719 117.438 -54.4465 -303.28 75.3247 16.6001 84.1838 -22.1995 PRESSAVG: 275000 33.0533 21.89 -0.605788 21.89 -22.1955 -38.5918 -0.605777 -38.5918 6.60985 GPRESSAVG: 275000 33.255 22.9654 -0.958549 21.0495 -21.6967 -39.897 1.11655 -38.7392 5.66104 TIMING: 275000 CPU: 873.434, 0.00313016/step Wall: 873.434, 0.00313016/step, 4.10833 hours remaining, 231.085938 MB of memory in use. ENERGY: 275000 4104.0769 20565.9388 14444.5678 244.8860 -203379.4974 2481.0333 0.0000 0.0000 51834.9268 -109704.0677 297.8960 -161538.9945 -109355.6795 299.4017 -112.8433 -85.1223 760380.3110 5.8226 5.7398 PRESSURE: 275200 -182.469 144.404 161.444 144.404 -197.487 -4.61138 161.443 -4.61169 -344.118 GPRESSURE: 275200 -257.525 134.076 176.042 122.661 -94.9414 -25.991 47.8936 78.5452 -294.89 PRESSAVG: 275200 34.1926 -7.72445 22.6386 -7.72444 -26.7644 -54.9994 22.6386 -54.9994 -6.9009 GPRESSAVG: 275200 34.7811 -7.40299 21.6625 -8.27264 -29.0562 -54.706 23.1143 -56.2299 -5.40005 TIMING: 275200 CPU: 874.064, 0.00314789/step Wall: 874.064, 0.00314789/step, 4.13143 hours remaining, 231.085938 MB of memory in use. ENERGY: 275200 3993.5546 20690.4370 14513.5453 232.0222 -203258.8695 2347.1602 0.0000 0.0000 51833.4283 -109648.7220 297.8874 -161482.1503 -109299.7502 299.3411 -241.3580 -215.7852 760946.3415 0.1758 0.1083 PRESSURE: 275400 -6.56193 -9.02225 -127.866 -9.02262 -28.2094 -342.83 -127.866 -342.829 -235.719 GPRESSURE: 275400 42.6264 -5.89143 -157.234 -64.1173 12.7601 -356.2 -135.398 -316.319 -227.289 PRESSAVG: 275400 15.2948 -15.6578 -0.640475 -15.6579 -13.9666 -24.9689 -0.640392 -24.9689 14.6281 GPRESSAVG: 275400 13.4512 -14.9626 1.3557 -14.8046 -11.8673 -24.126 -1.51128 -24.176 14.2809 TIMING: 275400 CPU: 874.694, 0.00315224/step Wall: 874.694, 0.00315224/step, 4.13696 hours remaining, 231.085938 MB of memory in use. ENERGY: 275400 4014.5874 20539.5987 14435.2234 262.7146 -203409.6127 2320.9162 0.0000 0.0000 52214.7645 -109621.8079 300.0790 -161836.5724 -109245.1302 299.7475 -90.1635 -57.3009 760224.4342 5.3188 5.2883 PRESSURE: 275600 139.252 272.141 147.821 272.142 162.547 -48.4834 147.82 -48.4829 -456.618 GPRESSURE: 275600 152.66 290.721 166.214 255.44 221.013 -52.5091 66.8777 -92.4258 -458.831 PRESSAVG: 275600 -11.8081 17.7254 31.8838 17.7254 -18.7344 24.3323 31.8838 24.3323 -7.78579 GPRESSAVG: 275600 -10.1147 16.5106 31.5135 19.1837 -18.672 23.7369 31.3683 25.3953 -9.21976 TIMING: 275600 CPU: 875.327, 0.00316525/step Wall: 875.327, 0.00316525/step, 4.15387 hours remaining, 231.085938 MB of memory in use. ENERGY: 275600 3952.2726 20559.2873 14450.4703 236.4013 -203490.6821 2584.9242 0.0000 0.0000 51944.0925 -109763.2340 298.5234 -161707.3265 -109398.6490 299.2775 -51.6066 -28.3858 760703.5374 -12.7761 -12.6688 PRESSURE: 275800 -103.907 45.2421 -39.0279 45.2421 195.274 292.062 -39.0281 292.062 316.135 GPRESSURE: 275800 -61.1701 10.7111 -42.3906 29.9396 152.314 235.708 -31.1073 185.641 404.335 PRESSAVG: 275800 10.3546 45.5164 -0.433507 45.5163 5.44722 40.1659 -0.433471 40.1659 -11.8028 GPRESSAVG: 275800 9.24031 44.8954 -0.258065 45.2683 5.5492 40.4727 -1.75135 38.0303 -11.1943 TIMING: 275800 CPU: 875.957, 0.0031513/step Wall: 875.957, 0.0031513/step, 4.13538 hours remaining, 231.085938 MB of memory in use. ENERGY: 275800 4042.3750 20643.4861 14508.7066 243.2929 -203560.2937 2677.7510 0.0000 0.0000 51839.1311 -109605.5510 297.9202 -161444.6821 -109244.6108 299.0851 135.8338 165.1596 761952.2892 1.3330 1.1984 PRESSURE: 276000 198.378 -123.882 93.6305 -123.883 122.331 -28.9932 93.6306 -28.9928 247.241 GPRESSURE: 276000 226.413 -217.244 11.4702 -97.3029 236.388 83.5442 91.3951 -48.0508 205.876 PRESSAVG: 276000 -9.72665 -7.44307 26.7432 -7.44309 42.1787 12.2678 26.7432 12.2678 -21.0516 GPRESSAVG: 276000 -8.92916 -7.3313 27.59 -7.93642 42.4047 13.7091 27.0596 11.6942 -21.5086 TIMING: 276000 CPU: 876.583, 0.00312894/step Wall: 876.583, 0.00312894/step, 4.10587 hours remaining, 231.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 276000 3988.3134 20496.4943 14518.1413 233.2348 -203647.7362 2578.1335 0.0000 0.0000 51977.5361 -109855.8828 298.7156 -161833.4189 -109482.2729 298.7955 189.3168 222.8924 761725.1773 3.8002 3.9890 PRESSURE: 276200 -286.386 88.3428 -38.8533 88.3437 -279.92 45.0214 -38.853 45.02 102.088 GPRESSURE: 276200 -213.435 147.86 -78.3739 210.374 -206.834 -95.7607 19.7128 128.004 38.5722 PRESSAVG: 276200 -21.9451 -15.8986 -15.8808 -15.8986 21.8525 11.4028 -15.8807 11.4027 -6.57392 GPRESSAVG: 276200 -21.5425 -13.932 -17.2415 -15.5283 21.3914 11.8031 -14.4671 13.2913 -5.99597 TIMING: 276200 CPU: 877.211, 0.00313916/step Wall: 877.211, 0.00313916/step, 4.1191 hours remaining, 231.085938 MB of memory in use. ENERGY: 276200 3948.2034 20490.4815 14398.6918 253.2603 -203621.0312 2499.0069 0.0000 0.0000 52089.7343 -109941.6530 299.3604 -162031.3873 -109578.5297 298.7937 -154.7396 -127.2324 760328.4851 -2.2222 -2.0490 LDB: ============= START OF LOAD BALANCING ============== 889.633 LDB: ============== END OF LOAD BALANCING =============== 889.634 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 889.635 LDB: ============= START OF LOAD BALANCING ============== 889.952 LDB: Largest compute 7074 load 0.037431 is 19.2% of average load 0.194921 LDB: Average compute 0.004431 is 2.3% of average load 0.194921 LDB: TIME 889.955 LOAD: AVG 0.194921 MAX 0.212283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.332 MB LDB: TIME 889.956 LOAD: AVG 0.194921 MAX 0.212283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.336 MB LDB: TIME 889.956 LOAD: AVG 0.194921 MAX 0.212283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.336 MB LDB: ============== END OF LOAD BALANCING =============== 889.958 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 889.963 PRESSURE: 276400 -118.674 52.8947 111.02 52.8947 -64.3432 159.079 111.021 159.078 -10.0802 GPRESSURE: 276400 -43.9773 14.0206 148.09 9.14272 -175.189 228.651 159.378 82.4391 110.35 PRESSAVG: 276400 -17.8479 -3.40824 6.46803 -3.40829 20.3638 24.0967 6.46805 24.0967 -18.6596 GPRESSAVG: 276400 -18.2153 -4.89575 5.96372 -6.08159 20.3614 22.7405 5.09924 23.4825 -18.388 TIMING: 276400 CPU: 877.857, 0.0032292/step Wall: 877.857, 0.0032292/step, 4.23707 hours remaining, 232.156250 MB of memory in use. ENERGY: 276400 4009.9564 20551.3486 14406.2992 231.5480 -203987.7949 2631.1137 0.0000 0.0000 52193.6953 -109963.8336 299.9579 -162157.5289 -109586.3373 298.6135 -64.3659 -36.2721 760246.0192 -5.3812 -5.4140 PRESSURE: 276600 -297.679 -22.9461 77.7946 -22.9456 -102.363 119.926 77.794 119.926 235.634 GPRESSURE: 276600 -207.723 72.521 119.994 105.999 -43.5393 88.5189 92.1009 -18.1273 167.139 PRESSAVG: 276600 25.6122 -16.3059 11.7893 -16.3059 -18.3153 -5.50696 11.7892 -5.50697 10.3294 GPRESSAVG: 276600 25.9264 -17.3705 12.9153 -14.5446 -18.7498 -5.92541 10.5472 -4.16716 9.98718 TIMING: 276600 CPU: 878.494, 0.00318366/step Wall: 878.494, 0.00318366/step, 4.17713 hours remaining, 232.226562 MB of memory in use. ENERGY: 276600 3949.9913 20600.3465 14427.7731 244.5509 -203698.7000 2446.1716 0.0000 0.0000 51978.3248 -110051.5418 298.7201 -162029.8666 -109691.0540 298.7154 -54.8024 -28.0410 761177.0503 5.8755 5.7212 PRESSURE: 276800 171.121 60.4057 5.5163 60.4055 -275.69 -9.22685 5.51618 -9.22715 69.9392 GPRESSURE: 276800 129.156 7.28593 -54.9856 -47.5966 -194.562 2.38955 -58.781 19.3082 111.255 PRESSAVG: 276800 -15.1883 2.17978 44.539 2.17976 12.1009 59.3883 44.539 59.3883 0.318904 GPRESSAVG: 276800 -16.1821 3.89724 44.5729 0.924832 11.5299 60.1748 46.1072 58.8756 1.0032 TIMING: 276800 CPU: 879.12, 0.00313087/step Wall: 879.12, 0.00313087/step, 4.10771 hours remaining, 232.226562 MB of memory in use. ENERGY: 276800 3965.0505 20482.7026 14450.5111 244.5066 -203937.8029 2699.7979 0.0000 0.0000 51946.8660 -110148.3684 298.5394 -162095.2344 -109785.5019 298.2798 -11.5432 15.2829 759675.1419 -0.9229 -1.2164 PRESSURE: 277000 -89.0816 127.227 -128.324 127.228 -227.97 69.5756 -128.323 69.5763 100.13 GPRESSURE: 277000 -17.6343 166.276 -120.995 84.6477 -255.576 39.788 -176.476 93.2276 121.643 PRESSAVG: 277000 49.4791 -1.00108 75.2765 -1.0011 -57.0132 18.3206 75.2765 18.3206 5.62765 GPRESSAVG: 277000 50.0174 -0.532572 74.8253 -1.79089 -56.6351 18.1348 74.9398 17.3874 5.39776 TIMING: 277000 CPU: 879.745, 0.00312768/step Wall: 879.745, 0.00312768/step, 4.10334 hours remaining, 232.226562 MB of memory in use. ENERGY: 277000 3986.7991 20422.3158 14377.8939 253.1210 -203641.2463 2417.1296 0.0000 0.0000 52137.2520 -110046.7350 299.6335 -162183.9870 -109680.5302 298.1515 -72.3072 -50.5224 759208.1670 -0.6355 -0.4066 PRESSURE: 277200 284.737 -115.184 28.2683 -115.184 -28.9778 -73.3324 28.2688 -73.3314 -746.737 GPRESSURE: 277200 327.538 -13.1924 63.5641 -126.036 -22.2862 -30.1736 -37.3136 -75.4793 -725.895 PRESSAVG: 277200 64.9312 -22.5003 46.4844 -22.5003 -71.5725 -2.10271 46.4843 -2.1027 -5.27131 GPRESSAVG: 277200 63.7029 -24.4017 46.5745 -19.335 -71.0799 -1.10845 46.7047 -2.70483 -4.66779 TIMING: 277200 CPU: 880.372, 0.00313362/step Wall: 880.372, 0.00313362/step, 4.11096 hours remaining, 232.226562 MB of memory in use. ENERGY: 277200 4077.5276 20373.1744 14445.7146 243.7464 -203480.8946 2263.6645 0.0000 0.0000 52085.7984 -109991.2687 299.3378 -162077.0671 -109622.8304 298.4323 -163.6594 -140.2145 760312.2739 -3.9709 -4.0149 PRESSURE: 277400 99.1303 6.88149 79.7007 6.88285 149.591 -132.478 79.7011 -132.477 -170.75 GPRESSURE: 277400 104.031 -55.8129 26.9321 52.6721 152.992 -54.5887 57.5783 -189.529 -89.9941 PRESSAVG: 277400 51.0918 -37.9702 46.5134 -37.9701 -34.6607 -9.15262 46.5134 -9.15262 -4.01061 GPRESSAVG: 277400 51.3201 -36.9161 47.5023 -40.0771 -34.3468 -10.2719 44.6144 -7.70037 -4.92857 TIMING: 277400 CPU: 880.998, 0.00312768/step Wall: 880.998, 0.00312768/step, 4.10299 hours remaining, 232.296875 MB of memory in use. ENERGY: 277400 3962.9714 20396.7113 14485.6773 252.0359 -203528.8260 2417.4923 0.0000 0.0000 52023.3677 -109990.5701 298.9790 -162013.9378 -109620.3176 298.6049 25.9904 55.6763 759968.5445 4.1402 4.0149 PRESSURE: 277600 -386.321 40.2131 -98.0163 40.2129 64.345 85.6693 -98.0161 85.6689 -185.241 GPRESSURE: 277600 -295.907 -3.59255 -81.5461 103.693 75.9722 138.183 -108.753 184.053 -206.73 PRESSAVG: 277600 62.6628 -29.5743 36.1063 -29.5744 -27.2174 -19.3631 36.1063 -19.363 24.5212 GPRESSAVG: 277600 63.9471 -30.2209 33.8929 -26.4634 -27.889 -17.7054 38.6758 -20.4433 23.8878 TIMING: 277600 CPU: 881.628, 0.00314994/step Wall: 881.628, 0.00314994/step, 4.13202 hours remaining, 232.296875 MB of memory in use. ENERGY: 277600 3997.8008 20558.6356 14416.5297 255.8563 -203756.0557 2445.9044 0.0000 0.0000 51937.7198 -110143.6091 298.4868 -162081.3290 -109788.3748 298.8004 -169.0722 -142.2216 758747.0295 19.9889 19.9820 PRESSURE: 277800 -146.175 74.4149 -44.5516 74.4156 7.66005 -27.5216 -44.5515 -27.5221 -438.311 GPRESSURE: 277800 -176.627 68.2513 -66.4017 39.776 24.6719 61.3052 23.4478 -33.5339 -338.683 PRESSAVG: 277800 41.4008 -80.2978 20.6435 -80.2978 -76.3083 -18.9543 20.6435 -18.9543 1.77927 GPRESSAVG: 277800 40.6801 -77.925 20.5021 -85.1866 -76.3168 -20.2788 22.3456 -17.1649 2.57556 TIMING: 277800 CPU: 882.262, 0.00317199/step Wall: 882.262, 0.00317199/step, 4.16077 hours remaining, 232.296875 MB of memory in use. ENERGY: 277800 3936.2185 20414.7944 14419.1861 251.2670 -203530.8604 2488.7688 0.0000 0.0000 51854.2281 -110166.3976 298.0070 -162020.6257 -109803.4401 298.2529 -192.2753 -163.5462 759396.7904 -11.0428 -11.0204 PRESSURE: 278000 424.252 130.426 -153.052 130.426 -236.335 23.4082 -153.053 23.4079 649.005 GPRESSURE: 278000 454.099 55.1363 -87.577 149.509 -196.453 -18.2707 -179.662 -180.255 660.737 PRESSAVG: 278000 -21.884 -28.6093 26.289 -28.6093 -10.1468 -16.6424 26.289 -16.6424 4.01949 GPRESSAVG: 278000 -22.8839 -31.4732 28.5665 -25.0332 -9.06433 -16.5627 23.3274 -18.6993 3.23202 TIMING: 278000 CPU: 882.897, 0.00317476/step Wall: 882.897, 0.00317476/step, 4.16422 hours remaining, 232.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 3892.7325 20428.1009 14493.8817 256.1908 -203618.6060 2776.4067 0.0000 0.0000 51361.5094 -110409.7840 295.1753 -161771.2934 -110052.5566 297.7646 278.9739 306.1274 759397.8336 -9.3371 -9.5721 PRESSURE: 278200 236.994 -96.0406 263.789 -96.0417 34.6995 -261.33 263.789 -261.329 -9.30661 GPRESSURE: 278200 321.982 -60.7818 135.907 -96.3568 40.3964 -121.538 296.157 -61.4981 -11.5228 PRESSAVG: 278200 49.9728 -43.3664 -24.8037 -43.3664 -57.578 -61.8527 -24.8037 -61.8527 18.7458 GPRESSAVG: 278200 51.1753 -42.8407 -26.1519 -44.2221 -58.3072 -62.5419 -24.9392 -59.8829 18.2166 TIMING: 278200 CPU: 883.528, 0.00315329/step Wall: 883.528, 0.00315329/step, 4.13589 hours remaining, 232.296875 MB of memory in use. ENERGY: 278200 3949.4804 20613.5623 14395.0677 263.7845 -204107.2905 2718.0815 0.0000 0.0000 51760.1958 -110407.1184 297.4666 -162167.3142 -110053.1827 297.5141 87.4622 116.9518 757692.9204 3.7136 3.6949 PRESSURE: 278400 -23.0591 39.7339 -231.064 39.7349 -61.0873 -152.839 -231.064 -152.839 -150.761 GPRESSURE: 278400 -36.4094 25.645 -210.063 90.0113 -71.165 -129.108 -245.439 -173.004 -56.8912 PRESSAVG: 278400 54.0472 -21.5613 8.24874 -21.5613 -39.5199 17.1614 8.24876 17.1615 1.94492 GPRESSAVG: 278400 55.6682 -19.6417 7.3682 -20.5089 -40.9003 18.8336 9.5819 14.8145 1.73855 TIMING: 278400 CPU: 884.156, 0.00314049/step Wall: 884.156, 0.00314049/step, 4.11893 hours remaining, 232.296875 MB of memory in use. ENERGY: 278400 4004.3237 20354.4611 14524.2911 240.4671 -203812.0889 2516.6041 0.0000 0.0000 51876.9842 -110294.9575 298.1377 -162171.9417 -109930.9433 297.7398 -78.3025 -54.8219 758788.5702 5.4907 5.5021 PRESSURE: 278600 80.761 -86.7707 -6.47613 -86.7714 360.921 -3.46597 -6.47693 -3.46629 223.677 GPRESSURE: 278600 135.838 -99.0131 -33.038 -73.3329 360.717 -32.0159 36.4677 -50.4405 226.458 PRESSAVG: 278600 55.0863 -11.1593 -1.16797 -11.1594 -39.9157 4.42042 -1.16798 4.42039 24.3172 GPRESSAVG: 278600 53.4165 -10.6855 -3.14507 -13.3571 -38.7436 3.99004 -1.11191 5.35402 23.7687 TIMING: 278600 CPU: 884.785, 0.0031471/step Wall: 884.785, 0.0031471/step, 4.12742 hours remaining, 232.296875 MB of memory in use. ENERGY: 278600 3935.7347 20254.0736 14321.8305 280.0284 -203947.4116 2726.7565 0.0000 0.0000 52035.2656 -110393.7222 299.0474 -162428.9878 -110036.0809 298.0909 221.7862 241.0044 757900.0834 13.1626 12.8139 PRESSURE: 278800 -112.21 123.645 -24.7531 123.645 176.23 -124.913 -24.7531 -124.913 277.383 GPRESSURE: 278800 -26.8253 22.9014 -26.7129 96.3137 182.778 -79.0803 -119.723 -142.65 276.892 PRESSAVG: 278800 51.5147 -12.7292 31.3134 -12.7292 7.21803 38.207 31.3134 38.207 2.82158 GPRESSAVG: 278800 51.4859 -15.0088 33.283 -11.9242 7.13052 37.0693 29.6761 37.3028 3.1783 TIMING: 278800 CPU: 885.413, 0.00313808/step Wall: 885.413, 0.00313808/step, 4.11542 hours remaining, 232.296875 MB of memory in use. ENERGY: 278800 3986.5603 20253.6875 14414.4075 244.3829 -203722.7903 2561.7949 0.0000 0.0000 51930.5329 -110331.4244 298.4455 -162261.9573 -109955.5981 298.1999 113.8007 144.2815 758051.9628 20.5181 20.5982 PRESSURE: 279000 0.299981 -143.19 -60.5744 -143.189 154.88 -104.945 -60.5754 -104.946 -149.809 GPRESSURE: 279000 29.8195 -158.584 27.9065 -195.722 166.097 -147.966 36.9385 -38.7662 -99.282 PRESSAVG: 279000 -56.0996 -23.1549 -15.4727 -23.1549 19.1279 21.3704 -15.4727 21.3703 40.0154 GPRESSAVG: 279000 -57.5653 -22.7467 -14.6132 -22.9025 20.3403 20.6877 -14.464 22.1138 40.3425 TIMING: 279000 CPU: 886.042, 0.00314626/step Wall: 886.042, 0.00314626/step, 4.12597 hours remaining, 232.296875 MB of memory in use. ENERGY: 279000 3966.2337 20311.5972 14518.5338 258.9241 -203616.4156 2420.1682 0.0000 0.0000 51973.4879 -110167.4706 298.6923 -162140.9585 -109800.1812 298.5112 1.7904 32.2115 758229.4281 1.0146 1.0392 PRESSURE: 279200 -250.457 -1.26799 97.418 -1.26797 -480.442 37.8121 97.4164 37.8115 -143.5 GPRESSURE: 279200 -174.632 147.472 76.5007 55.4316 -424.324 1.24828 247.446 55.8357 -201.133 PRESSAVG: 279200 30.4348 -21.3003 3.09425 -21.3003 -11.2001 -48.6751 3.09424 -48.675 5.50997 GPRESSAVG: 279200 31.9931 -21.0658 3.3117 -22.0952 -12.1085 -48.7556 2.60081 -47.5097 4.45252 TIMING: 279200 CPU: 886.673, 0.00315504/step Wall: 886.673, 0.00315504/step, 4.1373 hours remaining, 232.296875 MB of memory in use. ENERGY: 279200 3947.5926 20470.0990 14527.9223 237.3508 -203638.1793 2382.7345 0.0000 0.0000 52029.3146 -110043.1656 299.0132 -162072.4802 -109681.6421 297.9683 -291.4665 -266.6963 760729.5959 8.2482 8.1124 PRESSURE: 279400 116.011 219.715 62.923 219.715 70.6525 -117.688 62.9227 -117.688 36.0949 GPRESSURE: 279400 185.835 206.636 60.0635 271.496 55.9512 -203.874 -11.026 -174.581 47.8212 PRESSAVG: 279400 23.9807 -19.8616 54.3555 -19.8616 -45.1847 -52.5917 54.3555 -52.5917 -0.216515 GPRESSAVG: 279400 24.3034 -19.9398 52.6819 -19.8388 -45.2197 -52.6129 55.1672 -53.5418 -0.437377 TIMING: 279400 CPU: 887.3, 0.00313698/step Wall: 887.3, 0.00313698/step, 4.11345 hours remaining, 232.296875 MB of memory in use. ENERGY: 279400 3928.4426 20518.0932 14481.9061 249.3197 -203401.9223 2363.8215 0.0000 0.0000 52040.9649 -109819.3744 299.0801 -161860.3392 -109451.5503 298.6334 74.2528 96.5358 759409.3926 -7.1402 -7.1179 PRESSURE: 279600 -210.559 -89.6317 -8.50536 -89.6314 -247.239 -56.525 -8.50576 -56.5259 -109.594 GPRESSURE: 279600 -200.374 -56.7407 -36.6282 -101.349 -230.354 -30.006 80.0774 37.3833 -48.821 PRESSAVG: 279600 54.5127 -3.85304 5.50437 -3.85304 -45.1757 -51.9005 5.50437 -51.9006 -13.1868 GPRESSAVG: 279600 54.7514 -3.06936 5.81747 -2.05233 -46.0033 -51.6716 6.37073 -51.7948 -12.2792 TIMING: 279600 CPU: 887.934, 0.00317065/step Wall: 887.934, 0.00317065/step, 4.15743 hours remaining, 232.296875 MB of memory in use. ENERGY: 279600 3993.6634 20392.7004 14423.7101 243.7011 -203105.5715 2150.5756 0.0000 0.0000 52171.4833 -109729.7377 299.8302 -161901.2210 -109358.1858 299.1424 -189.1307 -159.8496 761129.6365 -1.2833 -1.1770 PRESSURE: 279800 -225.251 68.657 -50.5659 68.6566 -147.738 21.385 -50.5667 21.3858 -62.0239 GPRESSURE: 279800 -239.481 59.4204 -79.6511 51.0257 -108.727 -42.5799 -24.1388 194.555 -11.629 PRESSAVG: 279800 9.72302 21.4652 -12.4712 21.4652 -46.5312 -42.1984 -12.4712 -42.1984 29.4781 GPRESSAVG: 279800 9.21492 21.1164 -13.6573 19.3506 -45.8373 -42.5258 -12.9539 -40.2866 28.9528 TIMING: 279800 CPU: 888.564, 0.00314905/step Wall: 888.564, 0.00314905/step, 4.12893 hours remaining, 232.296875 MB of memory in use. ENERGY: 279800 3943.4474 20332.5141 14439.7306 270.0325 -203023.7908 2092.0912 0.0000 0.0000 52203.8195 -109742.1556 300.0161 -161945.9750 -109361.2338 299.0004 -145.0045 -119.9457 759820.3190 -2.4434 -2.5565 PRESSURE: 280000 -114.318 -182.236 90.4702 -182.235 61.6303 64.885 90.4699 64.8854 -9.08098 GPRESSURE: 280000 33.7514 -148.64 17.5737 -169.356 87.4289 69.6245 179.124 33.1169 -101.075 PRESSAVG: 280000 10.9527 7.08661 -2.04197 7.08659 -24.8929 -11.5594 -2.04201 -11.5594 0.810658 GPRESSAVG: 280000 9.63696 8.44103 -0.25621 8.03545 -25.138 -8.27443 -2.29379 -14.0884 2.82202 TIMING: 280000 CPU: 889.191, 0.00313596/step Wall: 889.191, 0.00313596/step, 4.11159 hours remaining, 232.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 280000 3984.9206 20447.0448 14447.6558 267.9727 -203479.3352 2515.3212 0.0000 0.0000 52111.6932 -109704.7268 299.4866 -161816.4200 -109340.0090 298.8913 -20.5894 6.7017 759752.8028 -4.3765 -4.2263 PRESSURE: 280200 -256.522 240.175 170.373 240.176 -228.379 2.65622 170.373 2.65656 -602.475 GPRESSURE: 280200 -239.914 103.122 167.872 179.323 -182.931 -5.05189 297.223 4.46295 -590.663 PRESSAVG: 280200 -9.9504 -22.3556 19.9434 -22.3556 -7.24671 -32.5286 19.9433 -32.5285 -7.62229 GPRESSAVG: 280200 -7.50458 -21.1133 20.8874 -24.3216 -7.96937 -34.8328 18.8851 -31.8497 -9.86294 TIMING: 280200 CPU: 889.824, 0.00316474/step Wall: 889.824, 0.00316474/step, 4.14915 hours remaining, 232.296875 MB of memory in use. ENERGY: 280200 4017.4895 20506.7955 14407.1649 239.9681 -203447.7416 2413.6363 0.0000 0.0000 52008.1845 -109854.5028 298.8918 -161862.6873 -109495.8459 299.0240 -362.4585 -337.8361 760457.0909 -8.2731 -8.4456 LDB: ============= START OF LOAD BALANCING ============== 902.249 LDB: ============== END OF LOAD BALANCING =============== 902.249 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 902.251 LDB: ============= START OF LOAD BALANCING ============== 902.566 LDB: Largest compute 7070 load 0.035315 is 18.1% of average load 0.194925 LDB: Average compute 0.004411 is 2.3% of average load 0.194925 LDB: TIME 902.569 LOAD: AVG 0.194925 MAX 0.213071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.422 MB LDB: TIME 902.57 LOAD: AVG 0.194925 MAX 0.213071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.516 MB LDB: TIME 902.57 LOAD: AVG 0.194925 MAX 0.213071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.516 MB LDB: ============== END OF LOAD BALANCING =============== 902.572 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 902.576 PRESSURE: 280400 176.299 -92.1795 17.3651 -92.1799 -49.506 243.331 17.3644 243.331 -4.1083 GPRESSURE: 280400 150.797 -36.9485 31.84 -99.8026 80.3825 266.198 -210.191 265.923 -0.944007 PRESSAVG: 280400 -2.61038 9.29193 37.0707 9.2919 30.1087 -9.08555 37.0706 -9.08552 20.9971 GPRESSAVG: 280400 -4.5993 5.10815 36.9281 10.7029 31.2141 -8.88151 35.9149 -9.45062 21.7451 TIMING: 280400 CPU: 890.47, 0.00322939/step Wall: 890.47, 0.00322939/step, 4.23373 hours remaining, 229.851562 MB of memory in use. ENERGY: 280400 4034.1603 20484.1389 14455.6177 215.0887 -203194.2491 2426.0525 0.0000 0.0000 51965.3584 -109613.8326 298.6456 -161579.1910 -109262.2366 298.8660 40.8948 76.7453 760220.8479 16.1651 16.1200 PRESSURE: 280600 254.601 -82.4105 142.801 -82.4098 110.518 -110.084 142.801 -110.083 83.0774 GPRESSURE: 280600 262.312 -15.1019 186.804 -115.314 166.452 -71.567 182.164 4.70207 102.533 PRESSAVG: 280600 -37.3464 -15.9559 28.965 -15.956 67.313 -4.43486 28.965 -4.43492 13.5723 GPRESSAVG: 280600 -36.6801 -13.2702 28.9495 -18.7845 67.1413 -4.39171 27.6136 -3.25974 12.8506 TIMING: 280600 CPU: 891.1, 0.0031487/step Wall: 891.1, 0.0031487/step, 4.12777 hours remaining, 230.054688 MB of memory in use. ENERGY: 280600 4018.7573 20455.0835 14420.8105 252.1752 -203307.3602 2551.4286 0.0000 0.0000 52071.8616 -109537.2434 299.2577 -161609.1050 -109172.5538 299.1374 149.3987 177.0992 759916.2679 14.5130 14.4373 PRESSURE: 280800 -533.011 -154.28 -41.7023 -154.28 -268.921 2.58923 -41.7028 2.59024 138.283 GPRESSURE: 280800 -514.861 -208.606 49.5455 -20.1924 -227.545 19.9332 21.2043 -85.0835 164.836 PRESSAVG: 280800 -23.7164 -43.8866 25.5227 -43.8866 -20.15 -11.4505 25.5228 -11.4505 9.08592 GPRESSAVG: 280800 -23.2872 -45.7895 26.3104 -40.9745 -20.2652 -13.0411 26.9009 -10.6771 9.24421 TIMING: 280800 CPU: 891.728, 0.00313899/step Wall: 891.728, 0.00313899/step, 4.11487 hours remaining, 230.054688 MB of memory in use. ENERGY: 280800 4105.3146 20676.5245 14513.2175 266.4006 -203475.2147 2409.2749 0.0000 0.0000 51914.9652 -109589.5173 298.3560 -161504.4825 -109225.4926 299.7461 -221.2165 -192.5232 760142.7404 -11.5935 -11.4361 PRESSURE: 281000 -136.521 41.8649 -12.5234 41.8646 214.79 254.235 -12.5232 254.236 54.8999 GPRESSURE: 281000 -152.359 22.3684 36.4044 49.7838 364.188 247.196 38.5658 115.032 -7.49046 PRESSAVG: 281000 53.9176 -13.6433 -8.88868 -13.6434 -36.0669 -55.5558 -8.88876 -55.5558 4.1487 GPRESSAVG: 281000 50.5618 -17.14 -10.0988 -11.2559 -33.5482 -53.8349 -8.22508 -59.3099 5.21064 TIMING: 281000 CPU: 892.36, 0.00315929/step Wall: 892.36, 0.00315929/step, 4.1413 hours remaining, 230.054688 MB of memory in use. ENERGY: 281000 3947.0187 20561.0209 14390.0343 242.2334 -204054.5380 2856.6378 0.0000 0.0000 52320.0721 -109737.5208 300.6842 -162057.5928 -109360.6657 299.2084 44.3897 68.1130 762051.7133 7.3331 7.4081 PRESSURE: 281200 38.6882 -71.9329 79.6263 -71.9332 31.2559 -76.6969 79.6263 -76.6983 402.418 GPRESSURE: 281200 48.905 -28.8881 -7.21026 -41.6852 96.0781 26.5898 123.189 51.2714 410.387 PRESSAVG: 281200 37.7015 -38.432 0.203574 -38.4319 -18.9497 32.4395 0.203532 32.4395 24.0487 GPRESSAVG: 281200 39.6871 -36.0959 -0.249251 -39.3963 -19.3459 30.385 -1.31447 36.0414 23.1195 TIMING: 281200 CPU: 892.992, 0.00316033/step Wall: 892.992, 0.00316033/step, 4.14248 hours remaining, 230.054688 MB of memory in use. ENERGY: 281200 4034.7841 20558.3923 14484.6129 248.7750 -203985.0836 2916.5895 0.0000 0.0000 51984.8895 -109757.0401 298.7579 -161741.9297 -109396.7645 299.4104 157.4541 185.1234 760159.9177 14.2668 14.4869 PRESSURE: 281400 -437.558 -13.4922 -216.993 -13.4917 -358.285 -143.35 -216.993 -143.35 -189.237 GPRESSURE: 281400 -475.492 5.52723 -192.337 -33.2004 -248.382 -155.704 -123.002 -90.9694 -175.327 PRESSAVG: 281400 -16.9897 3.37759 -3.84856 3.37758 -10.5662 -48.0466 -3.84855 -48.0465 -23.3256 GPRESSAVG: 281400 -15.7631 5.7914 -4.89049 2.08383 -12.4651 -46.9085 -2.03198 -49.119 -23.0819 TIMING: 281400 CPU: 893.623, 0.0031549/step Wall: 893.623, 0.0031549/step, 4.1352 hours remaining, 230.054688 MB of memory in use. ENERGY: 281400 3953.4256 20562.0075 14444.1953 265.1969 -203572.6629 2540.8552 0.0000 0.0000 52060.0085 -109746.9738 299.1896 -161806.9823 -109381.3767 299.2907 -328.3602 -299.7339 762425.9276 -16.9605 -17.1034 PRESSURE: 281600 181.837 -41.6888 79.4496 -41.6879 -289.794 77.8713 79.4507 77.8716 -11.2146 GPRESSURE: 281600 51.5446 -75.6166 -32.198 -84.6723 -75.78 119.074 49.3212 -29.8257 3.04824 PRESSAVG: 281600 74.0558 -50.9347 -41.7464 -50.9348 -79.7978 -44.1152 -41.7464 -44.1152 -12.9366 GPRESSAVG: 281600 72.5224 -50.183 -40.8019 -53.0012 -78.7107 -43.5468 -43.3309 -45.1351 -12.2152 TIMING: 281600 CPU: 894.256, 0.00316517/step Wall: 894.256, 0.00316517/step, 4.14848 hours remaining, 230.054688 MB of memory in use. ENERGY: 281600 4029.1528 20627.1273 14431.6921 264.2990 -203633.1499 2752.2665 0.0000 0.0000 51787.3817 -109741.2305 297.6228 -161528.6121 -109388.1663 298.8954 -39.7238 -7.0624 761751.3704 -6.2262 -6.1345 PRESSURE: 281800 -136.242 -51.6337 218.109 -51.6332 115.323 -44.8934 218.109 -44.8932 -283.956 GPRESSURE: 281800 -91.0317 1.43957 184.579 -48.5835 116.793 -158.733 136.188 -136.941 -253.011 PRESSAVG: 281800 -14.956 1.0273 -0.555521 1.02723 4.47228 -49.0588 -0.55546 -49.0588 15.0903 GPRESSAVG: 281800 -14.0876 -0.120018 0.456379 3.92057 3.03282 -49.2769 -0.971882 -46.9585 15.4599 TIMING: 281800 CPU: 894.886, 0.003152/step Wall: 894.886, 0.003152/step, 4.13105 hours remaining, 230.054688 MB of memory in use. ENERGY: 281800 4040.7468 20439.2950 14433.1493 257.5422 -203766.3874 2510.6573 0.0000 0.0000 52028.8274 -110056.1695 299.0104 -162084.9969 -109686.7420 298.6062 -101.6250 -75.7499 761076.6494 1.5355 1.4684 PRESSURE: 282000 -32.0835 -114.902 6.5395 -114.902 -171.694 0.927157 6.53963 0.927245 104.092 GPRESSURE: 282000 -1.65528 -127.599 62.2618 -144.661 -120.07 -0.827574 24.1348 -4.98405 90.9013 PRESSAVG: 282000 2.0586 26.119 25.8569 26.119 -10.5538 -18.0699 25.8569 -18.0699 9.22915 GPRESSAVG: 282000 1.86331 26.3202 25.5086 25.173 -10.2229 -16.942 26.162 -21.0889 8.67962 TIMING: 282000 CPU: 895.522, 0.00318042/step Wall: 895.522, 0.00318042/step, 4.16811 hours remaining, 230.054688 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: 282000 3924.6405 20530.0765 14472.9627 264.7013 -203531.0417 2656.8666 0.0000 0.0000 51750.6581 -109931.1361 297.4117 -161681.7942 -109570.5033 298.2011 -33.2286 -10.2745 762636.3791 0.2446 0.1067 PRESSURE: 282200 29.6621 -97.3281 -126.42 -97.3283 111.993 141.067 -126.42 141.069 590.669 GPRESSURE: 282200 -60.9031 -71.7305 -136.593 -99.6478 272.436 153.753 -162.982 210.56 590.814 PRESSAVG: 282200 -3.15355 -13.2807 -36.7104 -13.2806 11.4402 -23.6985 -36.7104 -23.6984 -4.36336 GPRESSAVG: 282200 -3.25077 -13.4315 -36.2344 -14.3531 11.8021 -23.9873 -34.6558 -23.1375 -4.48448 TIMING: 282200 CPU: 896.159, 0.0031845/step Wall: 896.159, 0.0031845/step, 4.17329 hours remaining, 230.054688 MB of memory in use. ENERGY: 282200 3881.6150 20579.1771 14421.3881 236.6872 -203302.8519 2527.7039 0.0000 0.0000 52063.7535 -109592.5272 299.2111 -161656.2807 -109230.5031 298.7118 244.1078 267.4491 761657.2032 1.3077 1.3556 PRESSURE: 282400 131.812 122.742 94.7617 122.742 -211.547 -4.17469 94.7626 -4.17489 137.399 GPRESSURE: 282400 116.362 82.6844 69.9973 186.947 -102.156 21.505 66.5489 -62.1513 123.074 PRESSAVG: 282400 -58.0028 -35.8214 -28.2348 -35.8213 34.2801 21.6168 -28.2347 21.6168 -1.28223 GPRESSAVG: 282400 -57.3886 -34.5693 -29.5249 -35.8045 33.8884 20.1456 -28.0264 22.9367 -1.34272 TIMING: 282400 CPU: 896.791, 0.00315943/step Wall: 896.791, 0.00315943/step, 4.14026 hours remaining, 230.054688 MB of memory in use. ENERGY: 282400 3935.4369 20578.2620 14486.2550 237.6255 -203533.7120 2867.7638 0.0000 0.0000 51773.8354 -109654.5334 297.5449 -161428.3688 -109287.4969 298.8867 19.2214 45.7602 763276.7082 -8.3350 -8.2810 PRESSURE: 282600 211.541 75.6456 -47.0178 75.6458 83.5453 -40.7363 -47.0179 -40.7353 258.205 GPRESSURE: 282600 218.84 42.1445 -47.13 -13.3577 137.943 -96.4267 -17.8592 -206.64 297.061 PRESSAVG: 282600 -12.049 -22.4659 20.9256 -22.4659 -38.0083 -56.5751 20.9256 -56.5751 -3.70642 GPRESSAVG: 282600 -11.5016 -24.1323 21.2874 -22.2904 -37.7578 -56.4396 20.0807 -56.6289 -3.22229 TIMING: 282600 CPU: 897.424, 0.00316546/step Wall: 897.424, 0.00316546/step, 4.14798 hours remaining, 230.054688 MB of memory in use. ENERGY: 282600 4027.3937 20479.4284 14406.4303 267.1747 -203229.5976 2580.8850 0.0000 0.0000 51898.4976 -109569.7878 298.2614 -161468.2855 -109209.7265 298.7177 184.4303 217.9477 761286.4141 -17.9212 -17.4939 PRESSURE: 282800 -185.601 -250.332 9.13026 -250.332 245.525 -57.8772 9.13067 -57.8774 -76.832 GPRESSURE: 282800 -94.8729 -331.51 -3.54409 -227.336 162.783 -47.5285 -19.1602 -105.294 -7.44727 PRESSAVG: 282800 48.5513 -7.742 53.0495 -7.74191 -0.405405 -50.0793 53.0496 -50.0793 24.6067 GPRESSAVG: 282800 48.0708 -7.24941 50.8047 -9.13942 0.229039 -48.9695 55.1632 -54.5702 24.4104 TIMING: 282800 CPU: 898.06, 0.00318119/step Wall: 898.06, 0.00318119/step, 4.16843 hours remaining, 230.054688 MB of memory in use. ENERGY: 282800 3921.5067 20510.8434 14587.6840 250.6663 -203224.6464 2242.1156 0.0000 0.0000 52171.6628 -109540.1675 299.8313 -161711.8303 -109177.8419 298.5416 -5.6360 20.1543 760810.6236 24.2509 24.2367 PRESSURE: 283000 78.3224 -354.525 -106.069 -354.525 189.693 21.1655 -106.069 21.1642 251.218 GPRESSURE: 283000 110.447 -221.203 -67.9063 -307.526 170.484 28.5588 -27.0776 26.252 309.604 PRESSAVG: 283000 -26.8556 -26.1381 39.6896 -26.1381 20.2077 -13.5484 39.6897 -13.5484 8.36745 GPRESSAVG: 283000 -27.6812 -25.0704 43.4371 -23.9484 19.5587 -13.2131 37.8639 -10.2136 9.01898 TIMING: 283000 CPU: 898.695, 0.00317422/step Wall: 898.695, 0.00317422/step, 4.15912 hours remaining, 230.054688 MB of memory in use. ENERGY: 283000 3998.9134 20753.8075 14493.8749 275.8805 -203836.1719 2850.1802 0.0000 0.0000 52058.9369 -109404.5787 299.1834 -161463.5156 -109042.2826 299.4835 173.0779 196.8447 761430.6456 0.5732 0.2988 PRESSURE: 283200 -110.009 126.013 138.179 126.013 -297.821 -114.18 138.179 -114.18 -121.986 GPRESSURE: 283200 -43.3733 85.3593 143.493 172.832 -290.544 -136.027 56.844 -90.7307 -112.383 PRESSAVG: 283200 21.3814 -20.157 20.4115 -20.1569 16.2204 -23.9265 20.4115 -23.9265 14.9696 GPRESSAVG: 283200 22.6016 -22.0147 18.2747 -21.0845 15.0499 -24.8534 20.6971 -24.5374 15.0374 TIMING: 283200 CPU: 899.331, 0.00317752/step Wall: 899.331, 0.00317752/step, 4.16326 hours remaining, 230.054688 MB of memory in use. ENERGY: 283200 4002.0031 20624.7546 14545.1078 266.4223 -203894.1851 2621.2974 0.0000 0.0000 52299.5836 -109535.0163 300.5664 -161834.5999 -109180.0470 299.6960 -176.6055 -148.7666 761885.6033 17.5238 17.5630 PRESSURE: 283400 -277.289 -18.459 35.4003 -18.4599 92.6499 91.9632 35.4006 91.9621 230.892 GPRESSURE: 283400 -194.37 -64.8358 126.37 -31.0636 124.797 45.4954 64.5333 102.509 203.244 PRESSAVG: 283400 39.2995 -29.4893 35.7342 -29.4892 -19.7202 -8.40754 35.7342 -8.40751 -2.31549 GPRESSAVG: 283400 39.9737 -30.0062 35.8035 -27.9177 -18.9176 -8.02762 36.1389 -5.9362 -3.35944 TIMING: 283400 CPU: 899.963, 0.00316249/step Wall: 899.963, 0.00316249/step, 4.1434 hours remaining, 230.054688 MB of memory in use. ENERGY: 283400 3961.5807 20348.6966 14409.1720 266.3948 -203338.7916 2352.4727 0.0000 0.0000 52357.5876 -109642.8872 300.8998 -162000.4748 -109276.1512 299.9080 15.4176 44.5570 761087.0991 5.7546 5.8989 PRESSURE: 283600 -500.769 100.931 -86.8622 100.931 121.959 -51.1526 -86.8613 -51.1533 141.773 GPRESSURE: 283600 -513.377 99.5329 -84.8661 167.58 122.443 -102.139 -48.1732 -18.3523 244.236 PRESSAVG: 283600 -59.3937 -38.6653 -15.3504 -38.6653 80.6152 -16.1488 -15.3504 -16.1488 26.3841 GPRESSAVG: 283600 -59.3858 -38.9281 -15.4009 -39.907 80.0912 -17.5975 -17.5916 -19.139 26.8202 TIMING: 283600 CPU: 900.593, 0.00314712/step Wall: 900.593, 0.00314712/step, 4.12307 hours remaining, 230.054688 MB of memory in use. ENERGY: 283600 3995.1322 20549.0306 14445.5441 236.7394 -203520.3628 2554.6030 0.0000 0.0000 51960.8201 -109778.4933 298.6195 -161739.3133 -109414.8897 299.2393 -79.0122 -48.8994 760565.6766 15.8685 15.8419 PRESSURE: 283800 -123.509 40.6208 -70.4297 40.6215 -64.6015 -41.7641 -70.4297 -41.7642 -96.4691 GPRESSURE: 283800 -73.3347 -0.098855 -54.3649 3.77607 -29.0231 -42.9324 -78.0397 -22.0084 -108.161 PRESSAVG: 283800 -42.1613 -20.8557 45.261 -20.8557 36.4657 13.6931 45.2609 13.6931 -27.2064 GPRESSAVG: 283800 -43.8629 -18.7926 45.6404 -19.8721 37.4864 15.6123 47.2577 14.2579 -26.8616 TIMING: 283800 CPU: 901.228, 0.00317501/step Wall: 901.228, 0.00317501/step, 4.15944 hours remaining, 230.054688 MB of memory in use. ENERGY: 283800 4007.4238 20515.2563 14404.2867 240.5933 -203616.0665 2631.6050 0.0000 0.0000 51995.9968 -109820.9047 298.8217 -161816.9015 -109468.7585 298.6780 -94.8599 -70.1730 760701.9680 -10.9673 -11.0794 PRESSURE: 284000 283.56 53.2317 154.716 53.2312 346.187 -63.6633 154.716 -63.663 -164.559 GPRESSURE: 284000 301.594 40.7032 179.051 87.1068 415.704 -130.533 91.1727 -72.9914 -161.867 PRESSAVG: 284000 12.6258 -53.5902 6.21527 -53.5902 0.343986 -33.1192 6.21523 -33.1192 -20.8997 GPRESSAVG: 284000 13.1316 -53.8057 5.32144 -53.5506 0.562156 -34.7309 4.98997 -32.1597 -21.1959 TIMING: 284000 CPU: 901.862, 0.00317251/step Wall: 901.862, 0.00317251/step, 4.15599 hours remaining, 230.054688 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: 284000 3998.4450 20452.0218 14479.4984 245.4141 -203384.5705 2542.9445 0.0000 0.0000 51982.2353 -109684.0114 298.7426 -161666.2466 -109322.6357 299.0029 155.0625 185.1435 760144.4482 -2.6433 -2.5007 PRESSURE: 284200 -51.1981 -61.6313 -218.879 -61.6307 -144.523 176.376 -218.879 176.375 39.7957 GPRESSURE: 284200 -79.1003 -122.998 -264.497 -15.6336 -97.9548 127.897 -177.982 126.929 91.3057 PRESSAVG: 284200 17.3633 15.1004 -29.7384 15.1004 -5.17045 -38.3175 -29.7384 -38.3175 0.749205 GPRESSAVG: 284200 16.7557 15.235 -28.1113 15.2127 -5.6051 -38.243 -28.8773 -36.6462 1.4606 TIMING: 284200 CPU: 902.495, 0.00316465/step Wall: 902.495, 0.00316465/step, 4.14552 hours remaining, 230.054688 MB of memory in use. ENERGY: 284200 3918.4580 20712.5461 14405.7116 270.1022 -203443.9147 2517.9798 0.0000 0.0000 51935.4212 -109683.6958 298.4736 -161619.1170 -109330.9758 299.4611 -51.9752 -28.5831 760959.1069 4.3140 4.2037 LDB: ============= START OF LOAD BALANCING ============== 914.916 LDB: ============== END OF LOAD BALANCING =============== 914.916 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 914.918 LDB: ============= START OF LOAD BALANCING ============== 915.233 LDB: Largest compute 7074 load 0.035934 is 18.4% of average load 0.194941 LDB: Average compute 0.004412 is 2.3% of average load 0.194941 LDB: TIME 915.236 LOAD: AVG 0.194941 MAX 0.2112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.34 MB LDB: TIME 915.236 LOAD: AVG 0.194941 MAX 0.2112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.34 MB LDB: TIME 915.237 LOAD: AVG 0.194941 MAX 0.2112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.34 MB LDB: ============== END OF LOAD BALANCING =============== 915.239 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 915.243 PRESSURE: 284400 -98.4179 -93.7387 276.78 -93.7381 -18.3814 -197.753 276.78 -197.754 24.6433 GPRESSURE: 284400 -79.5986 -133.368 278.541 -89.3964 -14.5881 -190.613 141.294 -154.177 95.3316 PRESSAVG: 284400 -45.9206 -31.1003 -43.1873 -31.1004 59.2945 -27.1866 -43.1873 -27.1865 3.60838 GPRESSAVG: 284400 -45.3246 -31.9385 -43.6646 -32.2398 58.5001 -25.6939 -44.1731 -30.9989 3.39641 TIMING: 284400 CPU: 903.137, 0.0032093/step Wall: 903.137, 0.0032093/step, 4.20383 hours remaining, 232.414062 MB of memory in use. ENERGY: 284400 3930.2050 20582.4089 14473.7809 256.0921 -203267.9061 2526.4927 0.0000 0.0000 51910.3246 -109588.6019 298.3293 -161498.9265 -109219.9908 299.5425 -30.7187 0.3816 759404.8151 5.6608 5.5240 PRESSURE: 284600 296.375 -106.949 -7.10571 -106.949 195.927 148.634 -7.10553 148.634 80.0583 GPRESSURE: 284600 292.219 -69.5846 12.9809 -63.5601 233.61 121.861 -94.6959 272.17 120.46 PRESSAVG: 284600 -10.3123 38.3678 -43.2107 38.3678 18.1385 -10.5217 -43.2108 -10.5217 -11.5731 GPRESSAVG: 284600 -10.0514 37.4547 -43.744 39.5718 17.1863 -10.9355 -41.5958 -8.57917 -11.1875 TIMING: 284600 CPU: 903.773, 0.00318079/step Wall: 903.773, 0.00318079/step, 4.1663 hours remaining, 232.742188 MB of memory in use. ENERGY: 284600 3944.0950 20415.3811 14435.4196 262.6467 -203424.3018 2516.1212 0.0000 0.0000 52255.7425 -109594.8958 300.3145 -161850.6383 -109229.4011 299.2638 190.7869 215.4297 760628.4764 -1.2490 -1.3509 PRESSURE: 284800 -299.124 -35.0458 -230.335 -35.0461 -194.196 -217.198 -230.335 -217.198 -119.925 GPRESSURE: 284800 -233.517 -11.6635 -130.051 14.3354 -139.959 -133.036 -165.944 -211.941 -170.634 PRESSAVG: 284800 5.97124 -8.82717 -8.87312 -8.82714 14.9943 -63.4402 -8.87316 -63.4402 3.89626 GPRESSAVG: 284800 4.66856 -8.33648 -8.43872 -9.42507 16.9122 -63.1779 -9.14705 -64.944 3.03112 TIMING: 284800 CPU: 904.407, 0.00317133/step Wall: 904.407, 0.00317133/step, 4.15374 hours remaining, 232.742188 MB of memory in use. ENERGY: 284800 3969.7876 20523.4133 14438.1892 272.7210 -203328.7034 2379.5635 0.0000 0.0000 52161.7617 -109583.2672 299.7744 -161745.0289 -109224.9780 299.3262 -204.4149 -181.3700 760153.2353 8.2873 8.2040 PRESSURE: 285000 108.032 119.939 -24.6741 119.939 76.2015 -4.60057 -24.6732 -4.59962 7.68905 GPRESSURE: 285000 180.944 72.0425 67.8895 102.163 29.9685 -22.2386 -63.3703 -83.4012 78.735 PRESSAVG: 285000 59.3316 -4.78073 -6.6154 -4.78073 10.9691 6.51555 -6.61541 6.51554 6.6584 GPRESSAVG: 285000 60.0569 -3.78457 -6.20963 -4.3494 9.50175 6.59105 -7.25253 7.92346 7.03777 TIMING: 285000 CPU: 905.038, 0.00315501/step Wall: 905.038, 0.00315501/step, 4.13218 hours remaining, 232.742188 MB of memory in use. ENERGY: 285000 3953.9134 20372.9422 14484.4337 250.5607 -203144.2622 2474.4410 0.0000 0.0000 51964.4211 -109643.5501 298.6402 -161607.9712 -109287.0925 299.0585 63.9741 96.5493 760746.8486 25.6530 25.5321 PRESSURE: 285200 120.348 -14.881 -248.97 -14.8803 161.568 0.0899879 -248.971 0.0889777 -78.8778 GPRESSURE: 285200 274.239 -118.997 -299.659 46.3776 54.2204 86.094 -63.7931 -7.62048 -71.0491 PRESSAVG: 285200 14.1921 -52.2993 -0.857448 -52.2993 -39.6875 -13.424 -0.857501 -13.424 26.7923 GPRESSAVG: 285200 14.9903 -52.9893 -2.16931 -52.2346 -39.3897 -15.0591 0.00668497 -13.2263 25.6989 TIMING: 285200 CPU: 905.669, 0.00315175/step Wall: 905.669, 0.00315175/step, 4.12775 hours remaining, 233.003906 MB of memory in use. ENERGY: 285200 4003.2972 20468.0820 14497.9406 244.0058 -203294.0040 2435.2237 0.0000 0.0000 52103.0195 -109542.4352 299.4368 -161645.4547 -109187.4508 298.5076 67.6793 85.8034 762181.1386 0.4323 0.4332 PRESSURE: 285400 -74.1573 31.488 -17.0648 31.4886 -28.5243 238.26 -17.064 238.261 -156.915 GPRESSURE: 285400 -51.2822 57.6242 15.931 25.7389 -17.4289 331.926 -110.682 195.878 -114.276 PRESSAVG: 285400 30.9414 13.6117 2.27965 13.6118 -32.8378 -24.3002 2.27964 -24.3001 9.85488 GPRESSAVG: 285400 30.7644 13.0003 3.19701 14.9439 -32.691 -20.817 2.31753 -25.428 10.3754 TIMING: 285400 CPU: 960.763, 0.275471/step Wall: 960.763, 0.275471/step, 360.76 hours remaining, 233.207031 MB of memory in use. ENERGY: 285400 3938.4085 20523.4486 14537.9146 258.5003 -203086.5823 2278.1374 0.0000 0.0000 52066.3235 -109483.8495 299.2259 -161550.1730 -109113.5194 299.3154 -86.5323 -60.9958 761487.6377 2.6528 2.8163 PRESSURE: 285600 -33.2325 132.148 -121.445 132.148 425.667 -47.1157 -121.445 -47.1152 -299.379 GPRESSURE: 285600 -66.686 55.1711 -47.6342 136.215 447.127 -158.561 -94.5976 -106.895 -198.179 PRESSAVG: 285600 44.137 -11.6667 -33.9356 -11.6666 -85.1468 30.5309 -33.9356 30.531 -23.6671 GPRESSAVG: 285600 43.3607 -11.8268 -32.7928 -10.2331 -85.6277 27.2389 -35.8092 31.8038 -22.2579 TIMING: 285600 CPU: 961.555, 0.00396254/step Wall: 961.555, 0.00396254/step, 5.18916 hours remaining, 233.207031 MB of memory in use. ENERGY: 285600 3981.1474 20497.1790 14515.6643 250.6475 -202968.7931 2274.2592 0.0000 0.0000 51925.4816 -109524.4139 298.4165 -161449.8955 -109169.5572 298.9496 31.0184 60.7539 762668.8147 -21.5590 -21.5083 PRESSURE: 285800 221.589 -2.75132 147.739 -2.75063 229.332 -18.0401 147.739 -18.0388 338.141 GPRESSURE: 285800 275.85 115.884 149.485 37.502 197.596 -4.8015 129.697 35.47 392.463 PRESSAVG: 285800 41.9868 -2.61269 12.4365 -2.61257 23.1873 -67.1043 12.4365 -67.1044 -14.0037 GPRESSAVG: 285800 42.9733 -2.17399 11.5416 -2.65569 24.1468 -65.9161 13.5848 -66.5906 -15.7882 TIMING: 285800 CPU: 962.368, 0.00406284/step Wall: 962.368, 0.00406284/step, 5.32029 hours remaining, 233.218750 MB of memory in use. ENERGY: 285800 4039.6266 20508.9768 14500.9173 225.8068 -203446.9822 2544.8487 0.0000 0.0000 52139.5201 -109487.2861 299.6465 -161626.8062 -109119.8362 299.4133 263.0206 288.6362 761148.7382 17.0568 17.1106 PRESSURE: 286000 -378.522 91.6112 68.5533 91.6109 120.124 -53.1712 68.5527 -53.1708 -4.30172 GPRESSURE: 286000 -278.717 -119.887 33.2478 92.1935 133.456 -14.5298 -115.673 -4.44167 -26.7176 PRESSAVG: 286000 14.5745 29.5225 14.7567 29.5226 32.0085 -5.78545 14.7566 -5.7855 9.54626 GPRESSAVG: 286000 13.7719 28.0309 14.0428 28.8514 31.5434 -7.05281 14.3504 -7.92892 10.9582 TIMING: 286000 CPU: 963.038, 0.00334977/step Wall: 963.038, 0.00334977/step, 4.38634 hours remaining, 233.218750 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: 286000 3938.4267 20351.5576 14492.5459 259.4496 -202866.9288 2116.0391 0.0000 0.0000 52001.1427 -109707.7673 298.8513 -161708.9100 -109340.0497 299.4707 -87.5664 -57.3261 761272.0024 18.7098 18.7578 PRESSURE: 286200 117.009 95.3182 -114.854 95.3187 32.9389 85.5388 -114.854 85.5385 335.618 GPRESSURE: 286200 177.297 118.643 -149.049 51.5528 12.7119 63.3981 -81.0554 186.878 370.256 PRESSAVG: 286200 14.6935 -9.47135 -29.3938 -9.47134 -14.8632 -36.3203 -29.3937 -36.3203 -6.08901 GPRESSAVG: 286200 16.0621 -7.42258 -30.074 -9.6926 -15.749 -34.4535 -29.7376 -36.0592 -6.52946 TIMING: 286200 CPU: 963.705, 0.00333676/step Wall: 963.705, 0.00333676/step, 4.36912 hours remaining, 233.218750 MB of memory in use. ENERGY: 286200 3899.8393 20623.2434 14431.2842 254.5574 -203407.1952 2382.4402 0.0000 0.0000 51970.1839 -109845.6469 298.6734 -161815.8308 -109484.1961 298.8073 161.8554 186.7549 759899.4085 -2.0862 -2.0721 PRESSURE: 286400 -292.603 -102.785 191.633 -102.785 -510.734 89.3652 191.633 89.3657 -150.036 GPRESSURE: 286400 -239.436 -52.872 212.673 -96.2465 -403.807 127.078 178.459 144.441 -211.401 PRESSAVG: 286400 33.6769 -26.6274 0.951633 -26.6274 -25.6606 -25.6598 0.951618 -25.6598 -11.3954 GPRESSAVG: 286400 33.1232 -28.6246 2.02705 -25.9401 -25.5661 -26.6523 3.04256 -22.8483 -11.5721 TIMING: 286400 CPU: 964.474, 0.00384405/step Wall: 964.474, 0.00384405/step, 5.03315 hours remaining, 233.218750 MB of memory in use. ENERGY: 286400 4083.8632 20641.8074 14485.2098 239.6500 -203301.2819 2347.1957 0.0000 0.0000 51802.0136 -109701.5423 297.7069 -161503.5559 -109338.1616 298.9867 -317.7911 -284.8815 760776.4120 -1.1264 -1.3383 PRESSURE: 286600 10.4698 163.728 132.831 163.728 184.622 182.972 132.83 182.972 -44.6725 GPRESSURE: 286600 96.179 53.6167 34.744 184.367 191.899 250.89 -83.6093 -0.830285 -36.1311 PRESSAVG: 286600 -39.8892 -28.4594 18.7853 -28.4594 28.4065 -11.6017 18.7853 -11.6017 -18.8034 GPRESSAVG: 286600 -39.944 -28.2343 18.5247 -28.5912 28.3663 -10.196 15.7598 -15.6256 -18.9348 TIMING: 286600 CPU: 965.343, 0.00434173/step Wall: 965.343, 0.00434173/step, 5.68453 hours remaining, 233.218750 MB of memory in use. ENERGY: 286600 3979.6645 20449.5941 14401.8636 272.8481 -203646.8499 2631.5669 0.0000 0.0000 52154.1914 -109757.1213 299.7309 -161911.3127 -109386.3660 298.9265 50.1396 83.9824 761929.7299 -10.0954 -10.1709 PRESSURE: 286800 -163.678 -65.2904 174.512 -65.2908 66.6841 -92.7577 174.512 -92.7585 -257.008 GPRESSURE: 286800 -129.482 -101.692 251.666 -81.4751 67.9515 -14.4739 157.12 -72.5496 -194.161 PRESSAVG: 286800 31.8601 -10.9749 -19.0135 -10.975 -7.9427 28.3934 -19.0135 28.3934 16.3316 GPRESSAVG: 286800 31.0589 -10.702 -16.607 -13.026 -6.66178 26.9144 -19.312 29.1026 16.0936 TIMING: 286800 CPU: 965.983, 0.00320319/step Wall: 965.983, 0.00320319/step, 4.19368 hours remaining, 233.218750 MB of memory in use. ENERGY: 286800 3976.9276 20441.1381 14427.1837 267.4634 -203464.3263 2397.9305 0.0000 0.0000 51915.0101 -110038.6728 298.3563 -161953.6829 -109663.6825 298.4199 -118.0008 -85.2304 760228.2378 13.4163 13.4969 PRESSURE: 287000 -450.648 100.821 -127.955 100.821 -273.08 -85.4911 -127.955 -85.4908 -574.19 GPRESSURE: 287000 -404.611 32.3076 -204.108 54.8053 -275.179 -65.2328 -125.988 -43.748 -540.279 PRESSAVG: 287000 -5.27327 -15.1424 19.9857 -15.1425 39.3864 -48.8929 19.9858 -48.8928 -13.7625 GPRESSAVG: 287000 -5.40556 -15.6413 18.0689 -12.8777 39.3586 -49.761 21.7498 -46.4709 -13.8643 TIMING: 287000 CPU: 966.645, 0.00330931/step Wall: 966.645, 0.00330931/step, 4.33243 hours remaining, 233.218750 MB of memory in use. ENERGY: 287000 4097.9028 20556.0339 14455.1121 261.0122 -202958.2903 2047.8207 0.0000 0.0000 51847.1733 -109693.2353 297.9664 -161540.4086 -109331.1116 298.6721 -432.6392 -406.6894 760670.1437 6.7835 6.6962 PRESSURE: 287200 124.471 116.961 -0.922535 116.962 6.01908 121.478 -0.922784 121.477 81.4069 GPRESSURE: 287200 189.037 -74.9665 -33.6414 117.471 62.2444 146.061 -3.49884 125.095 44.5493 PRESSAVG: 287200 30.5071 15.3183 17.5018 15.3184 -26.8974 51.0582 17.5018 51.0582 5.84436 GPRESSAVG: 287200 31.4396 17.01 18.9209 14.8218 -26.5744 53.2076 17.59 51.1833 4.7244 TIMING: 287200 CPU: 967.288, 0.00321597/step Wall: 967.288, 0.00321597/step, 4.21006 hours remaining, 233.218750 MB of memory in use. ENERGY: 287200 3920.3588 20466.5913 14500.0550 248.2609 -203196.2758 2380.7121 0.0000 0.0000 51820.8163 -109859.4814 297.8149 -161680.2977 -109501.6198 298.5815 70.6323 98.6101 762073.8740 3.1514 3.1965 PRESSURE: 287400 53.0355 -25.6151 148.122 -25.6147 134.401 -125.018 148.122 -125.017 67.0389 GPRESSURE: 287400 85.9898 -24.304 78.1233 -40.1442 104.796 -157.039 136.447 -228.544 137.766 PRESSAVG: 287400 -33.3219 -23.5061 -36.6162 -23.5061 19.0874 -7.48049 -36.6162 -7.48055 -1.79014 GPRESSAVG: 287400 -34.2118 -25.6515 -37.8621 -22.9401 16.7865 -7.44491 -38.132 -9.32069 0.418102 TIMING: 287400 CPU: 967.921, 0.0031651/step Wall: 967.921, 0.0031651/step, 4.1433 hours remaining, 233.218750 MB of memory in use. ENERGY: 287400 3950.5205 20631.4013 14471.1589 247.3089 -203714.6757 2699.6778 0.0000 0.0000 52037.2636 -109677.3447 299.0589 -161714.6083 -109320.3112 298.6930 84.8252 109.5173 761094.3568 -5.3415 -5.6691 PRESSURE: 287600 -411.99 156.331 134.608 156.331 -105.631 -84.8461 134.607 -84.8468 -197.69 GPRESSURE: 287600 -228.527 175.485 197.073 129.079 -125.861 -109.525 77.8694 -114.28 -267.179 PRESSAVG: 287600 6.76029 -1.58722 35.0905 -1.58722 -8.96235 21.4261 35.0905 21.4261 8.57674 GPRESSAVG: 287600 6.88334 0.0466222 35.5605 -3.45266 -6.80771 20.982 33.9548 22.6474 6.67488 TIMING: 287600 CPU: 968.551, 0.00314717/step Wall: 968.551, 0.00314717/step, 4.11965 hours remaining, 233.218750 MB of memory in use. ENERGY: 287600 4002.8897 20311.2409 14485.6770 242.5243 -202887.1065 2156.5765 0.0000 0.0000 52095.3391 -109592.8589 299.3926 -161688.1981 -109220.8743 298.8087 -238.4369 -207.1890 761914.3454 2.1249 2.2502 PRESSURE: 287800 -97.9166 -22.1949 18.5437 -22.195 -1.17371 204.864 18.5446 204.864 -5.24848 GPRESSURE: 287800 -72.268 -56.1661 37.9995 -108.624 78.3225 193.251 128.602 184.065 -37.4871 PRESSAVG: 287800 -3.01426 -30.6398 17.9084 -30.6397 2.52628 29.373 17.9084 29.3729 -0.8127 GPRESSAVG: 287800 -3.0576 -31.6821 16.9609 -30.7521 2.1313 29.7144 20.3865 30.0059 -0.219289 TIMING: 287800 CPU: 969.192, 0.00320725/step Wall: 969.192, 0.00320725/step, 4.19811 hours remaining, 233.218750 MB of memory in use. ENERGY: 287800 4083.4628 20407.5207 14563.7050 244.8878 -203403.5492 2439.7717 0.0000 0.0000 52144.8844 -109519.3167 299.6774 -161664.2011 -109160.7878 299.2145 -34.7796 -10.4775 758693.6296 -0.4336 -0.3819 PRESSURE: 288000 17.1757 -198.223 211.001 -198.222 200.691 -286.448 211.001 -286.447 -168.944 GPRESSURE: 288000 23.6579 -104.682 189.62 -46.3341 276.781 -364.71 241.853 -253.669 -172.429 PRESSAVG: 288000 27.6275 12.5294 -17.221 12.5294 -34.7755 27.543 -17.221 27.543 0.585659 GPRESSAVG: 288000 27.8879 12.9404 -14.5024 12.4213 -35.163 26.2163 -19.7621 27.7464 0.702253 TIMING: 288000 CPU: 969.823, 0.00315372/step Wall: 969.823, 0.00315372/step, 4.12787 hours remaining, 233.218750 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: 288000 4015.0630 20470.2702 14422.9156 262.1477 -203234.1677 2640.2108 0.0000 0.0000 52073.1486 -109350.4120 299.2651 -161423.5605 -108977.2210 299.6933 16.3076 42.6699 761498.8172 -2.1875 -2.1910 PRESSURE: 288200 -302.76 -47.1571 -76.4526 -47.1571 -116.325 39.0286 -76.4521 39.0299 -47.5777 GPRESSURE: 288200 -279.022 -8.06859 44.1258 -27.2129 -14.64 37.072 -137.409 53.4539 -84.4834 PRESSAVG: 288200 -43.036 32.8708 -34.4884 32.8708 47.3445 20.4212 -34.4884 20.4212 19.4956 GPRESSAVG: 288200 -43.6812 31.7213 -35.9866 31.7523 47.7802 21.7305 -33.8158 19.5398 19.7889 TIMING: 288200 CPU: 970.46, 0.003184/step Wall: 970.46, 0.003184/step, 4.16733 hours remaining, 233.218750 MB of memory in use. ENERGY: 288200 4027.0215 20628.4805 14465.1210 244.4187 -203475.2511 2521.0361 0.0000 0.0000 52127.7482 -109461.4250 299.5789 -161589.1732 -109108.7135 299.8170 -155.5544 -126.0484 762235.8870 7.9347 7.9626 LDB: ============= START OF LOAD BALANCING ============== 982.889 LDB: ============== END OF LOAD BALANCING =============== 982.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 982.891 LDB: ============= START OF LOAD BALANCING ============== 983.206 LDB: Largest compute 7074 load 0.034830 is 17.9% of average load 0.194876 LDB: Average compute 0.004417 is 2.3% of average load 0.194876 LDB: TIME 983.21 LOAD: AVG 0.194876 MAX 0.214882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.137 MB LDB: TIME 983.21 LOAD: AVG 0.194876 MAX 0.214882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: TIME 983.21 LOAD: AVG 0.194876 MAX 0.214882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: ============== END OF LOAD BALANCING =============== 983.212 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 983.217 PRESSURE: 288400 -106.543 43.6492 -194.515 43.6493 329.199 85.3621 -194.515 85.3635 41.0032 GPRESSURE: 288400 -13.9843 122.478 -70.492 81.3808 333.887 84.8974 -111.139 214.971 9.206 PRESSAVG: 288400 1.73017 -7.3886 -24.9973 -7.38856 -26.3284 -1.41404 -24.9973 -1.41402 13.2504 GPRESSAVG: 288400 2.93776 -5.91387 -24.5524 -3.61595 -27.3913 -0.832321 -23.8857 0.244671 12.9864 TIMING: 288400 CPU: 971.111, 0.00325598/step Wall: 971.111, 0.00325598/step, 4.26135 hours remaining, 231.195312 MB of memory in use. ENERGY: 288400 3957.2414 20702.2374 14542.7599 253.1810 -203551.2199 2658.9259 0.0000 0.0000 52114.7255 -109322.1488 299.5040 -161436.8743 -108964.7015 299.1856 87.8865 109.7029 760254.6088 -3.7826 -3.8224 PRESSURE: 288600 64.4632 -2.24988 -20.3159 -2.24952 75.3705 85.9702 -20.3157 85.9724 249.662 GPRESSURE: 288600 96.9212 -71.7493 -70.7186 1.46097 126.127 -20.7838 67.8282 57.8068 260.394 PRESSAVG: 288600 -4.99365 8.14685 0.101865 8.14684 -2.26072 -7.17117 0.101814 -7.17112 -14.1661 GPRESSAVG: 288600 -4.98599 5.691 0.218145 7.75938 -1.64775 -9.36095 0.641935 -7.23046 -14.616 TIMING: 288600 CPU: 971.745, 0.00317213/step Wall: 971.745, 0.00317213/step, 4.15144 hours remaining, 231.195312 MB of memory in use. ENERGY: 288600 4049.5665 20629.3439 14488.8228 249.1694 -203680.6538 2749.6438 0.0000 0.0000 52021.3966 -109492.7107 298.9677 -161514.1073 -109130.3067 299.4006 129.8320 161.1473 761170.8746 -7.1401 -7.0832 PRESSURE: 288800 22.5212 14.7473 58.4859 14.7469 247.285 -91.4921 58.4864 -91.4932 1.03189 GPRESSURE: 288800 53.646 -22.5422 74.6447 -71.7048 188.655 -91.6107 -25.1243 -21.3208 103.968 PRESSAVG: 288800 25.3803 -18.1246 -60.751 -18.1246 -28.1356 -5.4376 -60.751 -5.43767 24.304 GPRESSAVG: 288800 26.1599 -15.5405 -60.6721 -21.7495 -29.1704 -3.80471 -62.8344 -4.91373 24.5101 TIMING: 288800 CPU: 972.395, 0.0032477/step Wall: 972.395, 0.0032477/step, 4.25016 hours remaining, 231.265625 MB of memory in use. ENERGY: 288800 3921.5240 20657.4198 14517.5893 230.9168 -203310.5880 2600.1611 0.0000 0.0000 52160.8797 -109222.0973 299.7693 -161382.9770 -108863.4257 299.9012 90.2794 115.4229 762421.6600 7.1829 7.1665 PRESSURE: 289000 141.032 150.251 -89.8453 150.251 147.696 69.9904 -89.8457 69.9915 -75.284 GPRESSURE: 289000 261.729 144.597 -198.378 183.413 84.7693 20.558 -95.348 6.44056 -24.8776 PRESSAVG: 289000 17.9199 -39.1533 -27.3699 -39.1534 -49.3144 -16.2829 -27.3699 -16.2828 6.05106 GPRESSAVG: 289000 16.2907 -41.9147 -28.0765 -35.0903 -46.6493 -17.441 -27.4315 -17.2869 5.60376 TIMING: 289000 CPU: 973.03, 0.00317627/step Wall: 973.03, 0.00317627/step, 4.15651 hours remaining, 231.265625 MB of memory in use. ENERGY: 289000 4007.5081 20474.2303 14409.6429 256.8096 -203351.6014 2582.7312 0.0000 0.0000 52247.7478 -109372.9315 300.2685 -161620.6793 -109011.9571 299.5918 71.1479 107.2070 761613.0112 -8.4478 -8.2516 PRESSURE: 289200 188.427 -52.5811 -46.8639 -52.5813 257.244 150.004 -46.8624 150.002 76.9163 GPRESSURE: 289200 258.93 -119.387 -80.7274 -102.364 253.164 286.45 -16.1415 100.836 120.314 PRESSAVG: 289200 33.7364 4.93305 -21.7153 4.93303 -75.8063 -8.46206 -21.7152 -8.46203 -14.7334 GPRESSAVG: 289200 34.4544 7.66099 -21.2973 1.63546 -77.5578 -6.88062 -19.669 -9.92825 -14.6446 TIMING: 289200 CPU: 973.666, 0.00317787/step Wall: 973.666, 0.00317787/step, 4.15841 hours remaining, 231.265625 MB of memory in use. ENERGY: 289200 3941.1010 20305.5265 14430.6284 265.3360 -203185.1898 2672.3535 0.0000 0.0000 52181.5019 -109388.7423 299.8878 -161570.2443 -109023.9349 299.2363 174.1958 210.8025 762133.6711 -18.9344 -19.2493 PRESSURE: 289400 12.4916 -214.497 -52.7659 -214.498 56.0814 133.969 -52.7657 133.971 505.664 GPRESSURE: 289400 110.375 -204.517 -29.9885 -185.247 72.1092 196.767 -4.29075 84.5054 488.183 PRESSAVG: 289400 54.1639 -12.2418 13.5443 -12.2418 -56.9927 -25.8872 13.5443 -25.8872 13.2893 GPRESSAVG: 289400 54.1252 -12.4126 13.8913 -10.3434 -56.3083 -27.6478 12.5014 -25.0962 13.0142 TIMING: 289400 CPU: 974.303, 0.00318896/step Wall: 974.303, 0.00318897/step, 4.17276 hours remaining, 231.265625 MB of memory in use. ENERGY: 289400 3974.2801 20510.1830 14463.5842 247.8467 -203038.9095 2638.3856 0.0000 0.0000 51873.4346 -109331.1953 298.1173 -161204.6299 -108978.0375 299.0617 191.4123 223.5558 761394.6779 3.4868 3.6104 PRESSURE: 289600 -3.11774 66.1145 -150.539 66.1149 -243.521 -102.3 -150.539 -102.3 -9.394 GPRESSURE: 289600 9.22815 98.7901 -230.867 19.1681 -169.537 -97.9229 -79.2424 -127.753 -4.51064 PRESSAVG: 289600 98.4353 -6.60477 27.665 -6.60476 -70.0629 15.9135 27.6649 15.9136 4.90784 GPRESSAVG: 289600 98.7984 -6.87617 26.3466 -6.6017 -70.4772 16.7086 29.5166 15.9573 4.82356 TIMING: 289600 CPU: 974.938, 0.00317031/step Wall: 974.938, 0.00317031/step, 4.14818 hours remaining, 231.265625 MB of memory in use. ENERGY: 289600 4006.8543 20471.8145 14492.9085 256.3253 -203245.1751 2396.4873 0.0000 0.0000 52217.0964 -109403.6888 300.0924 -161620.7852 -109034.2106 299.8213 -85.3442 -54.9398 761996.4555 11.0934 11.0482 PRESSURE: 289800 78.3396 4.02142 104.585 4.02166 217.933 97.1034 104.585 97.1036 31.5868 GPRESSURE: 289800 111.68 -6.94836 147.174 -91.4686 261.698 74.4123 64.8716 131.318 3.34809 PRESSAVG: 289800 22.3692 13.1071 -19.3777 13.107 -1.03254 -9.76355 -19.3777 -9.7636 11.0232 GPRESSAVG: 289800 21.8344 13.238 -18.0233 12.7907 -0.414771 -9.94554 -20.7188 -8.55317 10.9139 TIMING: 289800 CPU: 975.566, 0.00314008/step Wall: 975.566, 0.00314008/step, 4.10844 hours remaining, 231.265625 MB of memory in use. ENERGY: 289800 3884.1837 20530.2331 14490.2249 259.8725 -203630.4803 2931.7798 0.0000 0.0000 52033.7735 -109500.4129 299.0388 -161534.1864 -109137.9498 299.3728 109.2866 125.5756 761460.7609 10.7866 10.7778 PRESSURE: 290000 -275.591 164.57 -29.6166 164.57 -423.837 -133.231 -29.6165 -133.233 -285.725 GPRESSURE: 290000 -165.646 176.465 -32.8147 145.447 -431.916 -173.498 69.2914 -266.354 -304.876 PRESSAVG: 290000 25.012 -70.8899 2.89481 -70.8899 -29.392 7.5181 2.89485 7.51813 -25.7722 GPRESSAVG: 290000 26.0431 -69.5247 1.39575 -73.2024 -30.5502 6.88963 3.03395 5.26961 -25.1111 TIMING: 290000 CPU: 976.199, 0.00316828/step Wall: 976.199, 0.00316828/step, 4.14517 hours remaining, 231.265625 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: 290000 4002.0832 20576.8882 14450.8122 258.7108 -203430.1548 2526.8267 0.0000 0.0000 52025.5597 -109589.2739 298.9916 -161614.8337 -109229.5502 298.7857 -328.3840 -300.8126 761603.4700 -10.0507 -9.8727 PRESSURE: 290200 -164.27 -70.6489 -101.61 -70.6495 -281.543 0.575323 -101.61 0.574383 -721.007 GPRESSURE: 290200 -178.506 -87.2751 -57.2646 -27.9787 -255.582 77.9812 -203.026 -86.8951 -653.241 PRESSAVG: 290200 1.94819 -3.50948 -39.4075 -3.50949 -31.7899 21.7217 -39.4076 21.7215 -24.3255 GPRESSAVG: 290200 2.1722 -4.32303 -37.2575 -3.02997 -31.4917 21.9149 -40.2206 23.7259 -24.4021 TIMING: 290200 CPU: 976.83, 0.00315208/step Wall: 976.83, 0.00315208/step, 4.1238 hours remaining, 231.265625 MB of memory in use. ENERGY: 290200 4047.8191 20589.1926 14422.6911 239.5566 -203205.7695 2218.8616 0.0000 0.0000 51924.9628 -109762.6857 298.4135 -161687.6486 -109407.5116 298.6890 -388.9400 -362.4432 760986.1672 -18.0558 -17.9072 PRESSURE: 290400 -190.8 -192.197 153.491 -192.197 -83.0228 148.745 153.49 148.745 -143.27 GPRESSURE: 290400 -160.038 -72.4316 159.124 -65.9459 -97.5755 234.311 4.16745 124.914 -65.9726 PRESSAVG: 290400 -11.6193 31.4952 9.76875 31.4952 0.61687 25.5315 9.76881 25.5314 4.64776 GPRESSAVG: 290400 -12.8238 34.0483 8.49347 31.2795 0.303488 26.9621 8.08169 23.4076 6.11933 TIMING: 290400 CPU: 977.502, 0.00335996/step Wall: 977.502, 0.00335996/step, 4.39557 hours remaining, 231.265625 MB of memory in use. ENERGY: 290400 4020.8218 20587.4341 14308.2002 239.5891 -203493.0449 2604.7479 0.0000 0.0000 51860.6464 -109871.6055 298.0438 -161732.2519 -109508.9679 298.9774 -139.0312 -107.8619 762442.0170 -2.1182 -2.1337 PRESSURE: 290600 -200.636 -176.621 -69.7669 -176.621 90.0959 -307.971 -69.7668 -307.971 -46.124 GPRESSURE: 290600 -117.92 -151.894 -115.437 -240.903 98.9118 -199.997 -195.643 -314.825 -50.363 PRESSAVG: 290600 -33.3004 -7.09064 -4.2096 -7.09066 3.38047 24.3745 -4.2097 24.3744 34.3408 GPRESSAVG: 290600 -32.6087 -8.07878 -1.8149 -4.45085 3.98796 23.6834 -2.87161 23.7812 32.8954 TIMING: 290600 CPU: 978.137, 0.00317646/step Wall: 978.137, 0.00317646/step, 4.15534 hours remaining, 231.265625 MB of memory in use. ENERGY: 290600 3978.6041 20666.4277 14368.4823 241.7647 -203443.5842 2577.2535 0.0000 0.0000 51883.8199 -109727.2320 298.1770 -161611.0519 -109377.3711 299.0510 -52.2212 -23.1239 760525.9083 1.4736 1.4249 PRESSURE: 290800 -184.649 10.2479 -126.522 10.2481 152.614 -146.029 -126.521 -146.029 -183.757 GPRESSURE: 290800 -205.734 24.5024 -145.59 -79.8375 215.622 -165.825 -94.2606 -153.031 -133.28 PRESSAVG: 290800 -9.94592 -12.0955 -43.2952 -12.0956 38.93 -33.8101 -43.2952 -33.8101 -25.1359 GPRESSAVG: 290800 -9.45952 -13.6979 -45.4701 -14.5331 38.8097 -33.6831 -43.1829 -32.3846 -25.5295 TIMING: 290800 CPU: 978.773, 0.00317913/step Wall: 978.773, 0.00317913/step, 4.15865 hours remaining, 231.265625 MB of memory in use. ENERGY: 290800 3989.0354 20474.2234 14457.9097 238.6709 -203677.6369 2429.9724 0.0000 0.0000 52298.3902 -109789.4349 300.5596 -162087.8251 -109416.3611 299.1705 -71.9307 -41.1307 759734.1694 1.2827 1.2735 PRESSURE: 291000 -352.352 10.3392 69.3876 10.3394 -69.1489 -210.32 69.3872 -210.321 600.36 GPRESSURE: 291000 -248.133 9.21529 36.446 104.266 -116.985 -131.603 106.119 -106.421 618.504 PRESSAVG: 291000 -11.4911 -22.327 -31.0921 -22.327 25.3812 -6.58678 -31.0921 -6.58686 3.28968 GPRESSAVG: 291000 -12.2507 -22.8263 -33.5618 -20.8765 27.0203 -6.76469 -30.8332 -5.96729 1.77666 TIMING: 291000 CPU: 979.405, 0.00316249/step Wall: 979.405, 0.00316249/step, 4.13672 hours remaining, 231.265625 MB of memory in use. ENERGY: 291000 3976.0150 20638.9360 14405.7140 218.8683 -203319.6941 2358.1678 0.0000 0.0000 52053.2330 -109668.7601 299.1506 -161721.9931 -109306.3076 299.2259 59.6196 84.4618 761744.8959 5.7266 5.5154 PRESSURE: 291200 202.041 16.3961 -113.302 16.3959 -74.5939 18.9374 -113.303 18.9381 -764.134 GPRESSURE: 291200 244.703 120.903 -26.7416 60.8579 -39.8358 -93.3736 -110.934 -4.76781 -747.71 PRESSAVG: 291200 19.1734 -5.78449 37.3731 -5.78451 -8.09859 48.6961 37.373 48.6962 7.45664 GPRESSAVG: 291200 19.8675 -5.72342 39.0528 -6.49654 -10.5617 47.7496 37.8793 47.7174 8.62511 TIMING: 291200 CPU: 980.035, 0.00314835/step Wall: 980.035, 0.00314835/step, 4.11805 hours remaining, 231.265625 MB of memory in use. ENERGY: 291200 4025.2772 20653.0394 14401.6374 244.7841 -203733.7815 2641.0567 0.0000 0.0000 52091.5432 -109676.4436 299.3708 -161767.9867 -109315.3331 299.0227 -212.2291 -180.9474 760624.6174 6.1771 5.9770 PRESSURE: 291400 -58.7627 -186.86 78.7843 -186.861 -496.537 129.187 78.7847 129.188 133.359 GPRESSURE: 291400 94.2441 -153.536 66.6227 -7.19299 -509.477 68.2871 36.5525 195.018 70.9076 PRESSAVG: 291400 25.0266 -6.51064 26.5465 -6.51065 -19.073 -45.516 26.5466 -45.5161 27.3099 GPRESSAVG: 291400 24.4143 -3.94981 26.8105 -4.91799 -17.7522 -44.9168 24.1972 -45.1537 26.944 TIMING: 291400 CPU: 980.677, 0.00321292/step Wall: 980.677, 0.00321292/step, 4.20232 hours remaining, 231.265625 MB of memory in use. ENERGY: 291400 4087.5289 20659.2645 14397.5741 249.6903 -203764.1073 2641.9198 0.0000 0.0000 52140.2405 -109587.8892 299.6507 -161728.1297 -109224.9590 299.5720 -140.6468 -114.7749 760197.0015 11.0878 11.2020 PRESSURE: 291600 18.4466 280.738 228.349 280.737 93.663 215.614 228.349 215.613 -83.1567 GPRESSURE: 291600 15.5586 283.523 170.311 226.028 218.777 185.982 216.95 189.559 -108.097 PRESSAVG: 291600 -33.0456 -67.1486 8.5609 -67.1486 21.7209 13.1445 8.56085 13.1445 -2.15588 GPRESSAVG: 291600 -32.3709 -70.6503 6.96953 -68.1288 19.866 11.866 10.1031 15.4312 -0.93239 TIMING: 291600 CPU: 981.312, 0.00317471/step Wall: 981.312, 0.00317471/step, 4.15217 hours remaining, 231.265625 MB of memory in use. ENERGY: 291600 3990.2715 20625.9642 14405.8050 246.7486 -203851.1140 2750.3766 0.0000 0.0000 52155.7631 -109676.1851 299.7399 -161831.9481 -109319.0954 299.2898 9.6510 42.0796 758220.1085 -4.4935 -4.4791 PRESSURE: 291800 32.8795 -194.537 -83.0374 -194.537 -203.042 32.9643 -83.0372 32.9644 -319.48 GPRESSURE: 291800 106.226 -189.239 -170.175 -156.355 -205.307 -51.3612 -56.514 69.9079 -304.887 PRESSAVG: 291800 -1.96492 -20.3758 35.8784 -20.3758 -5.68707 -2.68263 35.8784 -2.68263 5.8601 GPRESSAVG: 291800 -2.97495 -20.1475 37.0835 -20.1961 -4.67038 -1.39382 36.5971 -6.94099 5.82655 TIMING: 291800 CPU: 981.95, 0.00318803/step Wall: 981.95, 0.00318803/step, 4.16941 hours remaining, 231.265625 MB of memory in use. ENERGY: 291800 4006.7759 20531.6247 14348.1743 238.0350 -203306.4918 2169.2934 0.0000 0.0000 52206.5924 -109805.9959 300.0320 -162012.5884 -109437.9831 299.3894 -163.2140 -134.6557 760273.3890 -0.5973 -0.6063 PRESSURE: 292000 -224.872 -2.56246 -95.578 -2.56221 152.293 -201.882 -95.5781 -201.881 -232.267 GPRESSURE: 292000 -75.8337 -7.23544 -85.8775 6.92978 123.854 -81.9602 -131.383 -146.273 -260.81 PRESSAVG: 292000 21.0933 8.61952 24.4746 8.61953 4.17343 -4.70299 24.4746 -4.70307 17.917 GPRESSAVG: 292000 22.3414 9.6787 24.8414 8.53314 3.62372 -3.16602 25.2015 -4.16796 17.365 TIMING: 292000 CPU: 982.608, 0.00329151/step Wall: 982.608, 0.00329151/step, 4.30457 hours remaining, 231.265625 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: 292000 3956.6704 20335.5524 14406.4537 262.5734 -203374.9419 2572.1754 0.0000 0.0000 52178.2460 -109663.2707 299.8691 -161841.5166 -109284.2222 298.9292 -101.6155 -70.9300 760340.8047 14.3946 14.4434 PRESSURE: 292200 66.12 -62.1368 82.3544 -62.1367 -122.326 158.868 82.3539 158.867 265.093 GPRESSURE: 292200 113.787 -105.807 28.5189 -74.5475 -53.9084 219.339 14.213 -1.15136 212.457 PRESSAVG: 292200 32.2005 -49.0454 -35.3784 -49.0455 -29.6993 35.6328 -35.3784 35.6328 -4.47632 GPRESSAVG: 292200 31.0499 -49.4477 -35.2985 -49.3685 -29.2161 33.4484 -35.7554 36.606 -4.19944 TIMING: 292200 CPU: 983.247, 0.00319193/step Wall: 983.247, 0.00319193/step, 4.17416 hours remaining, 231.265625 MB of memory in use. ENERGY: 292200 3981.8732 20630.0322 14450.1886 245.4790 -203664.6496 2470.0066 0.0000 0.0000 52286.3986 -109600.6714 300.4907 -161887.0700 -109236.4871 299.4200 69.6291 90.7786 760635.8428 -0.6584 -0.7886 LDB: ============= START OF LOAD BALANCING ============== 995.685 LDB: ============== END OF LOAD BALANCING =============== 995.685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 995.687 LDB: ============= START OF LOAD BALANCING ============== 996.02 LDB: Largest compute 7074 load 0.035597 is 18.3% of average load 0.195011 LDB: Average compute 0.004437 is 2.3% of average load 0.195011 LDB: TIME 996.024 LOAD: AVG 0.195011 MAX 0.217443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.648 MB LDB: TIME 996.024 LOAD: AVG 0.195011 MAX 0.217443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.648 MB LDB: TIME 996.024 LOAD: AVG 0.195011 MAX 0.217443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.648 MB LDB: ============== END OF LOAD BALANCING =============== 996.026 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 996.031 PRESSURE: 292400 -101.941 -116.111 -54.9374 -116.111 -381.323 143.943 -54.9377 143.943 154.174 GPRESSURE: 292400 7.68877 -89.6362 -51.4431 -187.184 -377.462 84.7428 108.43 190.846 143.994 PRESSAVG: 292400 60.5384 -28.4759 -15.4554 -28.4759 -86.7899 -2.30349 -15.4554 -2.30349 11.2779 GPRESSAVG: 292400 60.9024 -28.8621 -15.5858 -27.0264 -86.6063 -2.1811 -16.09 -1.65082 10.454 TIMING: 292400 CPU: 983.925, 0.00339076/step Wall: 983.925, 0.00339076/step, 4.43398 hours remaining, 230.605469 MB of memory in use. ENERGY: 292400 4028.9013 20525.2285 14441.2515 247.1790 -203701.5369 2669.3811 0.0000 0.0000 52087.1294 -109702.4661 299.3454 -161789.5954 -109338.9992 299.5292 -109.6970 -75.2600 761106.8485 -4.9912 -5.0833 PRESSURE: 292600 5.38384 97.7273 49.9946 97.7274 -318.672 4.36843 49.995 4.36839 -385.515 GPRESSURE: 292600 -51.9576 172.861 -34.9353 145.413 -263.788 -31.5456 57.0374 -11.6231 -304.92 PRESSAVG: 292600 24.6477 -16.0222 31.4214 -16.0222 14.0122 51.5897 31.4214 51.5897 22.1637 GPRESSAVG: 292600 22.2007 -16.5796 32.567 -17.6245 15.3086 53.6325 31.1987 50.1997 22.6725 TIMING: 292600 CPU: 984.556, 0.00315513/step Wall: 984.556, 0.00315513/step, 4.12569 hours remaining, 230.808594 MB of memory in use. ENERGY: 292600 3990.6711 20590.1117 14425.2224 266.9608 -203101.3569 2149.8772 0.0000 0.0000 52134.4355 -109544.0780 299.6173 -161678.5136 -109173.8688 299.7763 -232.9345 -206.8883 760039.3884 20.2745 20.0606 PRESSURE: 292800 39.9968 333.836 -88.2745 333.835 -8.14645 14.5914 -88.2749 14.5912 302.647 GPRESSURE: 292800 54.8823 369.89 -50.5511 178.138 39.0635 76.3986 -70.9378 40.0157 328.084 PRESSAVG: 292800 41.7221 13.7247 -41.0287 13.7247 -24.7216 41.0625 -41.0286 41.0626 10.6898 GPRESSAVG: 292800 43.3036 14.9532 -42.8269 13.4069 -26.1908 37.9505 -40.5327 43.4046 10.2912 TIMING: 292800 CPU: 985.187, 0.00315404/step Wall: 985.187, 0.00315404/step, 4.12408 hours remaining, 231.101562 MB of memory in use. ENERGY: 292800 3954.6144 20536.2095 14417.3508 252.9724 -203394.4759 2437.4013 0.0000 0.0000 52260.7919 -109535.1355 300.3435 -161795.9274 -109174.8115 299.9273 111.4992 140.6765 759785.7304 9.2301 9.1347 PRESSURE: 293000 44.0067 -68.8867 -135.717 -68.8876 361.058 84.3104 -135.716 84.3095 -48.5259 GPRESSURE: 293000 86.8341 -78.7702 -72.6442 -164.607 343.118 6.86424 -113.81 168.941 0.519533 PRESSAVG: 293000 62.6898 -60.1483 -10.0652 -60.1483 -53.6638 -4.76596 -10.0651 -4.76597 -21.7229 GPRESSAVG: 293000 61.8599 -58.2305 -8.59942 -61.5615 -53.6765 -4.42808 -9.12592 -5.12492 -20.6777 TIMING: 293000 CPU: 985.814, 0.00313516/step Wall: 985.814, 0.00313516/step, 4.09922 hours remaining, 231.101562 MB of memory in use. ENERGY: 293000 3968.2410 20498.9255 14384.0677 238.1831 -203428.9486 2511.4622 0.0000 0.0000 52250.3096 -109577.7595 300.2832 -161828.0691 -109205.2489 299.8564 118.8463 143.4904 759327.1794 -4.2323 -4.1648 PRESSURE: 293200 10.3822 49.0787 -81.4247 49.0788 -413.051 -214.547 -81.4245 -214.547 -348.162 GPRESSURE: 293200 -59.093 56.3259 -66.9433 72.8361 -265.729 -335.434 -129.642 -228.781 -341.795 PRESSAVG: 293200 59.2162 9.26378 19.6942 9.26381 -1.88668 4.66079 19.6942 4.66092 -4.2404 GPRESSAVG: 293200 59.0803 8.12052 20.3462 9.27054 -1.66865 5.13011 18.0737 4.4281 -4.42178 TIMING: 293200 CPU: 986.447, 0.00316821/step Wall: 986.447, 0.00316821/step, 4.14226 hours remaining, 231.101562 MB of memory in use. ENERGY: 293200 4029.1448 20640.9306 14379.5963 255.2846 -203120.5173 2176.0335 0.0000 0.0000 52210.7211 -109428.8065 300.0557 -161639.5276 -109059.9938 299.6878 -250.2770 -222.2057 760803.2561 17.6964 17.6633 PRESSURE: 293400 -99.5098 155.529 165.605 155.528 -522.142 -29.3816 165.607 -29.3825 -464.139 GPRESSURE: 293400 -99.4288 125.856 157.801 39.6186 -455.06 41.696 124.226 37.0729 -426.24 PRESSAVG: 293400 65.0728 -11.3738 -41.4047 -11.3738 -40.8673 15.4191 -41.4048 15.4192 5.83654 GPRESSAVG: 293400 66.0485 -12.1054 -41.4539 -11.596 -41.2467 15.5103 -40.4565 15.3001 5.10977 TIMING: 293400 CPU: 987.082, 0.00317177/step Wall: 987.082, 0.00317177/step, 4.14674 hours remaining, 231.367188 MB of memory in use. ENERGY: 293400 4043.1066 20654.0405 14470.0189 261.6612 -202920.0678 2139.1549 0.0000 0.0000 51870.3016 -109481.7841 298.0993 -161352.0857 -109120.7013 299.7130 -361.9303 -326.9095 761901.5672 10.0140 9.9705 PRESSURE: 293600 298.218 64.8285 104.56 64.8289 -114.838 -72.2274 104.56 -72.2276 41.8698 GPRESSURE: 293600 301.389 -3.6533 84.1568 -3.83121 -109.393 -70.0923 71.992 39.3199 97.0025 PRESSAVG: 293600 12.1834 -5.90235 -43.6742 -5.90236 -17.7732 4.57238 -43.6742 4.5723 2.78033 GPRESSAVG: 293600 10.8438 -5.06493 -43.6961 -4.02677 -17.0757 4.93449 -44.1021 3.43141 3.90915 TIMING: 293600 CPU: 987.71, 0.00314286/step Wall: 987.71, 0.00314286/step, 4.10876 hours remaining, 231.367188 MB of memory in use. ENERGY: 293600 4076.9305 20689.4103 14452.8856 268.1542 -203439.6350 2560.1185 0.0000 0.0000 52246.2214 -109145.9145 300.2598 -161392.1359 -108789.5043 300.0921 75.0831 96.3327 761517.3896 -0.9365 -0.7743 PRESSURE: 293800 378.142 -249.586 -163.268 -249.586 -149.566 -51.799 -163.268 -51.7983 101.795 GPRESSURE: 293800 398.974 -249.896 -169.075 -201.234 -112.556 6.4942 -16.6881 -208.756 126.113 PRESSAVG: 293800 31.3669 -6.74631 28.597 -6.74629 -36.3937 14.359 28.597 14.359 13.3824 GPRESSAVG: 293800 32.8863 -8.51673 27.4751 -6.30718 -36.7542 13.689 28.5902 17.9527 12.285 TIMING: 293800 CPU: 988.342, 0.00316051/step Wall: 988.342, 0.00316051/step, 4.13166 hours remaining, 231.367188 MB of memory in use. ENERGY: 293800 4029.1656 20582.9833 14537.8873 253.4129 -203253.7117 2737.7116 0.0000 0.0000 52050.0039 -109062.5472 299.1321 -161112.5512 -108704.0388 300.1129 110.1239 137.5104 759859.0796 2.7852 2.8057 PRESSURE: 294000 -401.153 153.332 -196.215 153.333 -407.069 48.9123 -196.215 48.9118 -437.599 GPRESSURE: 294000 -302.852 126.682 -154.253 200.811 -369.601 61.136 -218.112 -31.3407 -502.971 PRESSAVG: 294000 -29.0917 31.9124 -6.38001 31.9124 -18.8754 -19.2597 -6.38 -19.2596 15.2996 GPRESSAVG: 294000 -29.3234 33.7178 -4.40152 32.5547 -18.4512 -19.6131 -8.11464 -21.6893 15.0836 TIMING: 294000 CPU: 988.974, 0.00316045/step Wall: 988.974, 0.00316045/step, 4.13141 hours remaining, 231.367188 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: 294000 4036.1226 20569.2939 14544.1059 273.6476 -203099.8762 2462.8644 0.0000 0.0000 52157.4126 -109056.4293 299.7494 -161213.8419 -108690.4745 300.0833 -415.2738 -391.8077 760568.2038 -10.8892 -10.8970 PRESSURE: 294200 -99.0563 57.0739 114.438 57.0733 -25.2591 219.278 114.438 219.278 23.8395 GPRESSURE: 294200 -8.04363 116.609 30.8429 -32.1423 10.1495 166.669 33.2861 307.461 -28.9279 PRESSAVG: 294200 -2.53081 15.7714 -43.402 15.7713 14.9297 1.4116 -43.4019 1.4115 4.2988 GPRESSAVG: 294200 -4.02656 14.9964 -45.3545 13.3454 14.654 1.50348 -42.3184 1.79231 5.9337 TIMING: 294200 CPU: 989.628, 0.00326543/step Wall: 989.628, 0.00326543/step, 4.26847 hours remaining, 231.367188 MB of memory in use. ENERGY: 294200 3963.8927 20673.6189 14511.5035 249.4602 -203391.3076 2543.8546 0.0000 0.0000 52356.4912 -109092.4865 300.8935 -161448.9777 -108738.3150 300.2708 -33.4920 -8.9407 761723.6952 5.5659 5.5204 PRESSURE: 294400 -33.3221 -128.124 -437.66 -128.125 -60.1992 -134.268 -437.66 -134.268 -478.222 GPRESSURE: 294400 47.5288 -100.831 -418.454 -107.711 -128.866 -130.634 -314.33 -126.39 -421.877 PRESSAVG: 294400 7.73026 21.1596 -20.4035 21.1597 17.6313 -47.2008 -20.4035 -47.201 -8.24182 GPRESSAVG: 294400 9.34663 21.566 -20.7187 22.6298 16.4442 -46.4585 -18.5819 -47.6838 -9.19093 TIMING: 294400 CPU: 990.264, 0.00318007/step Wall: 990.264, 0.00318007/step, 4.1567 hours remaining, 231.367188 MB of memory in use. ENERGY: 294400 4024.0900 20535.7255 14487.5756 240.0520 -203360.2478 2634.1989 0.0000 0.0000 52490.7696 -108947.8363 301.6652 -161438.6058 -108588.2561 300.6736 -190.5811 -167.7382 761934.6895 5.7066 5.5333 PRESSURE: 294600 -238.457 119.925 127.684 119.925 24.4772 -242.737 127.684 -242.737 -324.54 GPRESSURE: 294600 -101.776 86.0314 121.23 28.3812 26.5838 -243.023 152.201 -196.422 -365.09 PRESSAVG: 294600 1.42737 -2.0864 -45.5372 -2.08637 9.02025 11.4339 -45.5372 11.4338 -5.26743 GPRESSAVG: 294600 1.14457 -2.92474 -44.463 -2.658 8.06033 10.4268 -46.975 12.6222 -4.59621 TIMING: 294600 CPU: 990.894, 0.00315208/step Wall: 990.894, 0.00315208/step, 4.11995 hours remaining, 231.367188 MB of memory in use. ENERGY: 294600 3976.0208 20645.4177 14600.3744 252.7657 -203111.1424 2250.6856 0.0000 0.0000 52285.4069 -109100.4714 300.4850 -161385.8783 -108735.9161 300.2375 -179.5068 -146.7605 761697.2485 1.7267 1.5362 PRESSURE: 294800 -177.533 -167.795 -91.2261 -167.795 -188.318 -213.929 -91.2261 -213.929 -204.679 GPRESSURE: 294800 -174.685 -139.356 -149.247 5.12217 -121.629 -157.59 -75.8635 -361.261 -157.33 PRESSAVG: 294800 -15.51 -34.6979 -43.1384 -34.698 17.8016 12.2556 -43.1385 12.2556 -20.0655 GPRESSAVG: 294800 -16.2894 -33.3312 -44.7976 -33.3622 18.8884 11.8552 -43.6723 9.60669 -19.9205 TIMING: 294800 CPU: 991.554, 0.00330153/step Wall: 991.554, 0.00330153/step, 4.31509 hours remaining, 231.367188 MB of memory in use. ENERGY: 294800 4049.4290 20853.9144 14433.1648 267.0939 -203169.9785 2337.5277 0.0000 0.0000 52080.5332 -109148.3156 299.3075 -161228.8488 -108793.3025 299.8670 -190.1766 -151.2149 762244.0513 -5.9246 -5.7738 PRESSURE: 295000 -363.568 108.025 56.0468 108.025 -399.018 109.68 56.0468 109.679 -168.197 GPRESSURE: 295000 -381.099 28.1792 5.41248 208.157 -282.649 116.807 112.028 97.6154 -193.266 PRESSAVG: 295000 66.284 26.9063 14.226 26.9064 -80.3487 -9.29791 14.2259 -9.29791 16.8871 GPRESSAVG: 295000 66.6593 27.7242 13.9575 25.2386 -79.443 -7.70089 15.2098 -7.66348 15.2163 TIMING: 295000 CPU: 992.192, 0.00318829/step Wall: 992.192, 0.00318829/step, 4.16691 hours remaining, 231.367188 MB of memory in use. ENERGY: 295000 4058.8835 20786.8906 14441.5825 253.0374 -202859.8432 2171.1256 0.0000 0.0000 52044.4453 -109103.8784 299.1001 -161148.3237 -108745.9534 299.9395 -310.2609 -285.6714 760444.5486 0.9408 0.8109 PRESSURE: 295200 209.948 39.2324 194.768 39.2318 240.776 166.766 194.768 166.766 24.6786 GPRESSURE: 295200 94.7048 36.4783 254.163 27.5443 411.543 151.891 75.2149 166.043 48.0049 PRESSAVG: 295200 14.0845 -10.698 -12.9451 -10.698 3.11541 38.0292 -12.9452 38.0292 29.4945 GPRESSAVG: 295200 13.1638 -10.6515 -12.7888 -9.78814 2.94775 37.5123 -12.0871 37.9002 31.024 TIMING: 295200 CPU: 992.823, 0.00315768/step Wall: 992.823, 0.00315768/step, 4.12674 hours remaining, 231.367188 MB of memory in use. ENERGY: 295200 4034.4068 20571.8325 14443.9277 244.4571 -202948.4143 2357.0210 0.0000 0.0000 52318.6772 -108978.0920 300.6762 -161296.7692 -108630.8729 300.3731 158.4678 184.7510 759850.3242 15.5648 15.7119 PRESSURE: 295400 -112.877 -40.7205 152.603 -40.7212 -154.746 -15.7336 152.602 -15.7329 -77.8417 GPRESSURE: 295400 -75.8055 92.2847 145.403 -80.9037 -131.505 -16.8203 83.6576 -9.33293 -74.3329 PRESSAVG: 295400 -29.9662 -54.9761 5.39649 -54.9761 55.1428 44.2186 5.39654 44.2185 1.30817 GPRESSAVG: 295400 -29.958 -56.3424 6.59866 -54.4426 56.0539 43.5506 2.59802 46.5717 0.108797 TIMING: 295400 CPU: 993.457, 0.00316983/step Wall: 993.457, 0.00316983/step, 4.14243 hours remaining, 231.367188 MB of memory in use. ENERGY: 295400 3992.8074 20701.5271 14476.6662 236.4789 -203028.6305 2302.4578 0.0000 0.0000 52183.8348 -109134.8583 299.9012 -161318.6931 -108775.0299 300.2064 -115.1548 -93.8812 761881.5401 8.8283 8.7349 PRESSURE: 295600 -251.85 32.0584 -15.3374 32.0587 292.673 -155.185 -15.3376 -155.185 255.175 GPRESSURE: 295600 -172.553 29.6855 15.5491 1.28319 312.105 -51.2998 -39.1964 -247.663 256.343 PRESSAVG: 295600 2.5593 -10.6262 -46.6275 -10.6263 -1.97471 -40.8353 -46.6275 -40.8353 24.3749 GPRESSAVG: 295600 3.8752 -10.3603 -47.0467 -9.8192 -3.47729 -42.2312 -45.5169 -42.6524 24.9792 TIMING: 295600 CPU: 994.118, 0.00330196/step Wall: 994.118, 0.00330196/step, 4.31492 hours remaining, 231.367188 MB of memory in use. ENERGY: 295600 3985.5108 20726.1620 14439.6579 263.4123 -203443.9912 2535.2687 0.0000 0.0000 52394.1289 -109099.8506 301.1098 -161493.9794 -108727.9610 300.5346 98.6660 131.9652 760796.4759 8.3198 8.4590 PRESSURE: 295800 -67.9329 118.404 43.0163 118.405 -364.006 101.17 43.0158 101.171 -257.264 GPRESSURE: 295800 -35.2944 18.3847 6.78175 172.73 -280.107 82.4921 201.014 79.686 -293.362 PRESSAVG: 295800 -41.7286 -31.0338 -14.6203 -31.0338 28.2608 -0.307926 -14.6203 -0.307891 2.54423 GPRESSAVG: 295800 -42.1385 -33.0589 -15.5058 -30.9975 28.2407 0.283192 -13.4457 -1.02485 2.60631 TIMING: 295800 CPU: 994.756, 0.00319245/step Wall: 994.756, 0.00319245/step, 4.17165 hours remaining, 231.367188 MB of memory in use. ENERGY: 295800 4062.3213 20670.6847 14497.5084 244.9347 -203370.0348 2510.4052 0.0000 0.0000 52380.6773 -109003.5032 301.0325 -161384.1805 -108639.4614 300.5467 -229.7343 -202.9213 760372.3683 -3.6412 -3.7638 PRESSURE: 296000 79.0434 54.3275 62.4513 54.3266 -221.498 -414.526 62.4521 -414.526 -117.187 GPRESSURE: 296000 81.9818 -51.9459 0.808451 115.407 -89.4462 -434.328 137.193 -280.214 -144.906 PRESSAVG: 296000 35.9448 -9.68489 -44.3442 -9.68489 -36.4804 -0.186043 -44.3442 -0.186056 6.95963 GPRESSAVG: 296000 36.6848 -9.34832 -43.2049 -10.7513 -36.1372 -0.368862 -45.4032 2.64507 6.2488 TIMING: 296000 CPU: 995.393, 0.00318404/step Wall: 995.393, 0.00318404/step, 4.16048 hours remaining, 231.367188 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: 296000 4054.4353 20460.9806 14536.6989 252.8192 -203173.7390 2380.2888 0.0000 0.0000 52443.9310 -109044.5852 301.3960 -161488.5161 -108673.6157 300.8970 -86.5473 -50.7901 760180.9636 2.1413 2.2655 PRESSURE: 296200 43.6041 -82.4445 -55.6317 -82.4447 -212.411 144.914 -55.6313 144.914 236.094 GPRESSURE: 296200 -15.9665 -89.6844 -72.7554 -91.4235 -106.19 161.972 -252.379 48.6132 284.317 PRESSAVG: 296200 3.27934 -35.5137 -19.8866 -35.5137 52.1669 24.1838 -19.8866 24.1838 13.3016 GPRESSAVG: 296200 2.95195 -35.516 -20.8567 -34.5277 52.0549 23.573 -21.0872 21.7996 13.7079 TIMING: 296200 CPU: 996.026, 0.00316394/step Wall: 996.026, 0.00316394/step, 4.13404 hours remaining, 231.367188 MB of memory in use. ENERGY: 296200 3938.1454 20736.1337 14531.4868 231.4857 -203236.8074 2435.3370 0.0000 0.0000 52380.7978 -108983.4211 301.0332 -161364.2188 -108619.8945 301.0743 22.4288 54.0537 760559.5627 22.9159 22.9049 LDB: ============= START OF LOAD BALANCING ============== 1008.45 LDB: ============== END OF LOAD BALANCING =============== 1008.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1008.45 LDB: ============= START OF LOAD BALANCING ============== 1008.77 LDB: Largest compute 7073 load 0.036012 is 18.5% of average load 0.195008 LDB: Average compute 0.004411 is 2.3% of average load 0.195008 LDB: TIME 1008.77 LOAD: AVG 0.195008 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230 MB LDB: TIME 1008.77 LOAD: AVG 0.195008 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.203 MB LDB: TIME 1008.77 LOAD: AVG 0.195008 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.203 MB LDB: ============== END OF LOAD BALANCING =============== 1008.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1008.78 PRESSURE: 296400 46.5701 -26.9545 -33.4083 -26.9532 372.887 153.771 -33.4087 153.772 -51.5762 GPRESSURE: 296400 98.371 47.3345 -88.3069 95.5207 335.197 214.616 -91.4995 205.08 18.7266 PRESSAVG: 296400 -26.5829 -60.0765 5.32138 -60.0765 -2.48936 13.8848 5.32142 13.8849 -2.26192 GPRESSAVG: 296400 -25.9205 -57.2759 7.32607 -61.1356 -2.45089 15.3748 5.05664 13.7422 -2.87917 TIMING: 296400 CPU: 996.675, 0.00324393/step Wall: 996.675, 0.00324393/step, 4.23837 hours remaining, 229.339844 MB of memory in use. ENERGY: 296400 4012.2298 20545.8999 14525.0558 247.4377 -203384.9120 2624.4983 0.0000 0.0000 52159.3199 -109270.4706 299.7603 -161429.7905 -108916.1253 300.2268 122.6269 150.7648 761152.5680 -10.4447 -10.4169 PRESSURE: 296600 -116.374 -42.4951 11.9339 -42.4952 -275.83 -19.1646 11.933 -19.1651 -263.418 GPRESSURE: 296600 -136.078 -50.3765 -17.0611 -98.0415 -174.643 50.1056 -57.0089 -15.4163 -256.071 PRESSAVG: 296600 -15.9922 15.3428 12.4815 15.3428 -31.098 -2.62657 12.4816 -2.62658 -15.0427 GPRESSAVG: 296600 -17.032 12.6989 12.6461 15.2129 -30.7287 -0.575377 13.2117 -4.93151 -14.7857 TIMING: 296600 CPU: 997.32, 0.00322699/step Wall: 997.32, 0.00322699/step, 4.21606 hours remaining, 229.339844 MB of memory in use. ENERGY: 296600 3955.2175 20561.8895 14518.6133 245.1233 -203350.3044 2561.2166 0.0000 0.0000 52275.1110 -109233.1331 300.4258 -161508.2441 -108876.2861 300.0405 -218.5406 -188.9304 761784.5538 -20.7110 -20.8488 PRESSURE: 296800 200.193 -199.602 -46.4819 -199.602 87.7208 104.132 -46.4813 104.132 -52.3495 GPRESSURE: 296800 243.982 -186.734 -22.8891 -186.613 113.524 102.481 48.5515 -23.5748 -43.2039 PRESSAVG: 296800 -5.6115 -0.908285 8.57419 -0.908285 14.9916 11.0113 8.57423 11.0112 18.2772 GPRESSAVG: 296800 -6.3654 -0.100344 7.35484 -1.45308 14.9076 7.32943 7.57963 12.6147 19.3432 TIMING: 296800 CPU: 997.978, 0.00329149/step Wall: 997.978, 0.00329149/step, 4.30015 hours remaining, 229.542969 MB of memory in use. ENERGY: 296800 3972.5632 20770.2066 14457.9605 250.5005 -203702.2142 2911.9802 0.0000 0.0000 52138.7554 -109200.2479 299.6421 -161339.0033 -108839.5744 299.9503 78.5214 104.7672 761614.6868 9.2191 9.2951 PRESSURE: 297000 -191.815 -73.7088 57.111 -73.7083 112.006 -119.994 57.1121 -119.994 62.8581 GPRESSURE: 297000 -75.9286 12.431 -44.8139 -88.7441 99.1972 -108.604 -151.014 -132.217 43.3653 PRESSAVG: 297000 0.407701 15.1464 3.74324 15.1464 -11.6511 -13.7136 3.74321 -13.7136 8.15005 GPRESSAVG: 297000 0.647139 16.937 4.18391 15.1708 -11.6269 -13.9163 4.88469 -13.9747 7.9206 TIMING: 297000 CPU: 998.611, 0.00316352/step Wall: 998.611, 0.00316352/step, 4.13279 hours remaining, 229.542969 MB of memory in use. ENERGY: 297000 3922.6456 20661.2901 14514.6887 246.4650 -203745.8976 2703.7398 0.0000 0.0000 52451.9378 -109245.1306 301.4420 -161697.0684 -108884.0613 300.3867 -5.6501 22.2113 760726.1326 -1.0311 -1.0197 PRESSURE: 297200 132.144 -63.7559 145.343 -63.7565 -82.6585 -15.3132 145.343 -15.3135 -298.314 GPRESSURE: 297200 201.472 73.6137 106.133 -35.642 -125.525 79.533 107.821 -83.5989 -212.08 PRESSAVG: 297200 71.2575 17.4454 -0.46915 17.4454 -1.28811 54.2575 -0.469192 54.2574 1.01013 GPRESSAVG: 297200 72.0949 15.1 0.479116 18.5232 -1.53762 57.6896 -0.587195 52.8348 1.40196 TIMING: 297200 CPU: 999.259, 0.00324099/step Wall: 999.259, 0.00324099/step, 4.23382 hours remaining, 229.542969 MB of memory in use. ENERGY: 297200 4093.8156 20513.3690 14559.1816 264.7235 -203285.4422 2476.8015 0.0000 0.0000 52064.0116 -109313.5395 299.2126 -161377.5510 -108942.1135 300.1342 -82.9429 -45.3775 761279.3517 23.6598 23.9864 PRESSURE: 297400 249.08 -38.5966 18.0327 -38.5957 -124.744 34.8607 18.0328 34.8613 -34.1607 GPRESSURE: 297400 339.501 -72.708 127.363 116.742 -51.1265 16.3324 -79.1325 50.8736 -99.096 PRESSAVG: 297400 45.4816 25.3785 -18.6491 25.3785 -20.8613 41.5076 -18.6491 41.5076 1.62178 GPRESSAVG: 297400 44.9295 26.6054 -16.9425 25.6933 -20.1931 40.2543 -18.0509 42.1847 1.59287 TIMING: 297400 CPU: 999.928, 0.00334522/step Wall: 999.928, 0.00334522/step, 4.36979 hours remaining, 229.542969 MB of memory in use. ENERGY: 297400 3974.5418 20502.4311 14516.0800 238.6871 -203847.5670 3053.5398 0.0000 0.0000 52060.3269 -109501.9604 299.1914 -161562.2873 -109138.8074 299.5426 30.0584 63.0930 762169.8747 8.7474 8.7764 PRESSURE: 297600 179.528 -12.0506 14.3355 -12.0508 -61.7288 69.532 14.3351 69.5332 379.224 GPRESSURE: 297600 224.446 -67.9511 58.6435 -14.3458 -0.330988 129.889 46.4025 43.983 381.199 PRESSAVG: 297600 24.5672 -30.8641 83.6244 -30.8642 -2.76414 -34.4262 83.6244 -34.4262 18.9164 GPRESSAVG: 297600 24.6755 -31.541 81.9372 -32.3566 -2.74358 -33.7875 82.5207 -32.3581 17.995 TIMING: 297600 CPU: 1000.6, 0.00337976/step Wall: 1000.6, 0.00337976/step, 4.41472 hours remaining, 229.542969 MB of memory in use. ENERGY: 297600 4015.7293 20492.4627 14480.5349 241.5336 -204117.1629 3078.0165 0.0000 0.0000 52394.5269 -109414.3590 301.1121 -161808.8859 -109040.3071 299.5613 165.6746 201.7714 760945.0117 13.5731 13.3090 PRESSURE: 297800 -244.38 116.527 273.981 116.527 -177.646 -40.2404 273.982 -40.2409 -256.123 GPRESSURE: 297800 -122.249 54.0394 231.195 38.1895 -179.879 -83.7742 159.886 41.2927 -302.036 PRESSAVG: 297800 -34.3316 24.8205 33.8829 24.8204 15.2066 16.1568 33.8829 16.1568 5.33716 GPRESSAVG: 297800 -34.0498 23.003 33.6047 25.4336 15.4717 15.9506 35.4776 16.3924 4.95873 TIMING: 297800 CPU: 1001.27, 0.0033096/step Wall: 1001.27, 0.0033096/step, 4.32288 hours remaining, 229.542969 MB of memory in use. ENERGY: 297800 3964.8470 20470.0626 14432.2662 245.5980 -202801.8023 2059.2777 0.0000 0.0000 52163.6198 -109466.1310 299.7850 -161629.7508 -109096.4861 299.4281 -226.0498 -201.3880 763105.4545 -4.5959 -4.5398 PRESSURE: 298000 156.777 -57.0167 138.953 -57.0163 223.557 -44.5505 138.954 -44.5512 -145.423 GPRESSURE: 298000 139.623 -66.1285 218.036 24.4644 252.894 -122.328 36.3584 -90.4488 -76.9186 PRESSAVG: 298000 -38.4966 79.1391 18.4383 79.1391 29.7159 4.25556 18.4383 4.25559 0.272761 GPRESSAVG: 298000 -39.0082 80.2587 17.1938 79.0312 28.9664 3.99321 17.219 1.79604 1.64695 TIMING: 298000 CPU: 1001.9, 0.00317678/step Wall: 1001.9, 0.00317678/step, 4.14922 hours remaining, 229.542969 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: 298000 3971.7375 20611.7003 14570.2032 273.7061 -203672.6994 2504.4322 0.0000 0.0000 52155.8732 -109585.0470 299.7405 -161740.9201 -109230.5705 299.4674 78.3039 105.1996 761516.8131 -2.8360 -2.7983 PRESSURE: 298200 9.3098 -64.6231 140.384 -64.6239 169.099 -73.4751 140.383 -73.4749 -39.4926 GPRESSURE: 298200 62.1531 -12.1208 120.454 -115.579 121.623 -88.1396 58.2313 -25.4552 20.9472 PRESSAVG: 298200 20.049 15.0846 46.4778 15.0847 4.74237 -58.6207 46.4778 -58.6207 8.42298 GPRESSAVG: 298200 19.8685 19.1283 46.9491 13.4464 4.5179 -58.6105 46.8515 -56.8239 8.78294 TIMING: 298200 CPU: 1002.53, 0.00314255/step Wall: 1002.53, 0.00314254/step, 4.10434 hours remaining, 229.542969 MB of memory in use. ENERGY: 298200 3991.0171 20516.1132 14517.2472 261.2170 -203513.9820 2483.0996 0.0000 0.0000 52082.2620 -109663.0258 299.3175 -161745.2879 -109303.0337 299.0909 46.3055 68.2410 762829.2850 11.0714 11.0564 PRESSURE: 298400 -209.466 -63.4589 -65.4975 -63.4589 -167.427 146.828 -65.4979 146.829 -344.412 GPRESSURE: 298400 -107.155 -154.945 -19.0401 -114.009 -153.035 112.534 -64.7174 101.158 -374.78 PRESSAVG: 298400 -17.2256 -7.86014 -21.5048 -7.86022 11.3174 24.3647 -21.5048 24.3647 -14.8567 GPRESSAVG: 298400 -17.3642 -12.4487 -21.1257 -5.93965 11.2837 24.4531 -20.6922 24.0415 -14.9055 TIMING: 298400 CPU: 1003.16, 0.00315577/step Wall: 1003.16, 0.00315577/step, 4.12143 hours remaining, 229.542969 MB of memory in use. ENERGY: 298400 3998.0247 20504.5863 14446.3533 251.1021 -203582.3648 2557.6656 0.0000 0.0000 52136.9336 -109687.6990 299.6317 -161824.6327 -109329.5479 299.0299 -240.4350 -211.6567 762588.5015 -6.9216 -6.9953 PRESSURE: 298600 -311.108 -136.593 -33.1733 -136.592 25.1572 -95.4298 -33.1724 -95.4291 -144.226 GPRESSURE: 298600 -212.571 27.0577 -83.645 -21.0562 12.8429 -92.104 -130.536 -17.2454 -130.55 PRESSAVG: 298600 -8.9052 -27.8822 59.2321 -27.8822 35.4726 56.7108 59.2321 56.7108 7.73569 GPRESSAVG: 298600 -8.30998 -25.628 58.3665 -27.6711 36.5164 55.8871 59.046 59.3548 6.45273 TIMING: 298600 CPU: 1003.79, 0.00316291/step Wall: 1003.79, 0.00316291/step, 4.13059 hours remaining, 229.542969 MB of memory in use. ENERGY: 298600 3999.8366 20391.3684 14386.1672 241.8478 -203591.2120 2546.3345 0.0000 0.0000 52199.7174 -109825.9402 299.9925 -162025.6576 -109466.9059 298.7916 -143.3922 -110.0930 761513.9620 11.4344 11.5531 PRESSURE: 298800 37.7912 8.34947 -359.222 8.34908 -25.0069 207.408 -359.221 207.408 98.2883 GPRESSURE: 298800 47.8784 -37.7011 -271.526 92.5367 40.3028 211.354 -270.744 112.3 126.993 PRESSAVG: 298800 54.9865 -2.32019 10.9727 -2.32019 -9.07302 27.7105 10.9728 27.7105 9.15829 GPRESSAVG: 298800 55.3945 -2.64345 11.0943 -3.2814 -10.0725 28.8872 10.3349 23.6965 9.46517 TIMING: 298800 CPU: 1004.42, 0.00314556/step Wall: 1004.42, 0.00314556/step, 4.10775 hours remaining, 229.542969 MB of memory in use. ENERGY: 298800 3962.6804 20372.1264 14536.5471 259.3271 -203707.5735 2668.4924 0.0000 0.0000 52118.4423 -109789.9577 299.5254 -161908.4000 -109426.0657 299.2138 37.0242 71.7249 759685.3595 18.3573 18.2624 PRESSURE: 299000 -83.2304 -47.9768 8.02054 -47.9779 -114.628 96.8716 8.02021 96.8728 120.892 GPRESSURE: 299000 0.152829 -66.0209 22.5179 -31.1261 -144.518 159.499 -39.997 172.079 163.334 PRESSAVG: 299000 -17.6152 1.372 10.2998 1.37195 -4.30164 42.3668 10.2999 42.3668 9.44237 GPRESSAVG: 299000 -17.9032 -0.141621 11.0916 3.72969 -4.27225 43.2993 9.61577 42.8205 9.63137 TIMING: 299000 CPU: 1005.1, 0.00337448/step Wall: 1005.1, 0.00337448/step, 4.40651 hours remaining, 229.542969 MB of memory in use. ENERGY: 299000 3972.2524 20504.0190 14358.2480 244.1865 -203338.2214 2408.5545 0.0000 0.0000 51930.3767 -109920.5843 298.4446 -161850.9610 -109571.3587 298.6896 -25.6555 6.3229 760415.9112 -4.1582 -4.1813 PRESSURE: 299200 -33.2455 -47.7845 -16.0762 -47.7853 59.8899 -179.605 -16.0769 -179.604 -185.621 GPRESSURE: 299200 -43.5038 -141.288 -76.1196 -36.0614 89.4681 -149.275 39.2528 -122.617 -134.036 PRESSAVG: 299200 -3.95815 33.491 0.657175 33.491 10.7169 18.0188 0.657182 18.0189 0.0789124 GPRESSAVG: 299200 -4.69387 35.5819 1.40266 29.8805 11.5351 16.3977 2.4975 19.7858 -0.105255 TIMING: 299200 CPU: 1005.74, 0.00322673/step Wall: 1005.74, 0.00322673/step, 4.2134 hours remaining, 229.542969 MB of memory in use. ENERGY: 299200 4002.6468 20527.3740 14432.9233 258.0826 -203678.6558 2674.8097 0.0000 0.0000 51868.1725 -109914.6470 298.0871 -161782.8195 -109559.2996 298.5742 -52.9921 -29.3571 761737.3958 2.2792 2.2453 PRESSURE: 299400 0.627958 174.656 -21.8128 174.655 -567.61 -130.314 -21.8126 -130.313 46.2993 GPRESSURE: 299400 -29.4067 168.745 -16.7808 -10.2668 -508.41 -177.708 156.726 -104.499 113.048 PRESSAVG: 299400 13.7133 -1.14885 17.9656 -1.1489 1.40976 18.576 17.9656 18.576 32.5181 GPRESSAVG: 299400 14.0919 -2.30647 16.9759 -0.616175 1.26333 16.3052 16.0696 21.3834 32.3056 TIMING: 299400 CPU: 1006.39, 0.00324864/step Wall: 1006.39, 0.00324864/step, 4.24182 hours remaining, 229.542969 MB of memory in use. ENERGY: 299400 4009.5625 20607.1836 14396.7186 254.4758 -203275.9795 2318.8541 0.0000 0.0000 51939.7923 -109749.3925 298.4987 -161689.1848 -109391.2726 298.8959 -173.5609 -141.5896 761650.0758 15.8804 15.8869 PRESSURE: 299600 -151.604 -124.583 179.422 -124.583 120.147 104.084 179.423 104.084 619.838 GPRESSURE: 299600 -87.7583 -217.59 113.235 -58.8834 100.641 27.6331 208.923 90.9845 661.148 PRESSAVG: 299600 12.615 -11.1167 28.587 -11.1167 -15.3484 10.1201 28.587 10.1201 22.8126 GPRESSAVG: 299600 12.4132 -11.913 28.3398 -9.96415 -15.6506 11.5947 30.1957 5.76588 23.1872 TIMING: 299600 CPU: 1007.02, 0.00314466/step Wall: 1007.02, 0.00314466/step, 4.10588 hours remaining, 229.542969 MB of memory in use. ENERGY: 299600 3911.5070 20589.5380 14367.3481 233.9224 -203938.8034 2726.2942 0.0000 0.0000 52065.0695 -110045.1242 299.2187 -162110.1937 -109673.8454 298.7601 196.1269 224.6769 759593.4531 6.6931 6.6499 PRESSURE: 299800 -158.241 149.355 108.455 149.355 -377.884 -20.3874 108.455 -20.3866 -414.517 GPRESSURE: 299800 -164.381 48.9628 58.0528 111.606 -319.461 -59.6298 -43.7001 -34.8432 -387.517 PRESSAVG: 299800 -8.41148 -26.5497 -26.6297 -26.5497 6.77412 60.8634 -26.6298 60.8634 1.80974 GPRESSAVG: 299800 -8.87459 -25.9433 -27.2171 -25.9098 7.40993 60.3681 -27.287 62.437 1.38663 TIMING: 299800 CPU: 1007.66, 0.00317271/step Wall: 1007.66, 0.00317271/step, 4.14233 hours remaining, 229.542969 MB of memory in use. ENERGY: 299800 4077.7902 20564.1967 14429.6566 252.5247 -203467.2711 2357.0435 0.0000 0.0000 51976.9909 -109809.0686 298.7125 -161786.0594 -109449.3973 299.0280 -316.8807 -290.4533 760297.0868 0.0575 -0.0260 WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.121 seconds, 229.543 MB of memory in use WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.167 seconds, 229.543 MB of memory in use PRESSURE: 300000 -38.0163 -52.7135 295.258 -52.7136 156.614 98.0485 295.258 98.0483 80.9392 GPRESSURE: 300000 47.3314 6.90189 232.549 -11.396 148.456 33.24 278.202 -4.14182 82.5894 PRESSAVG: 300000 0.343475 -10.0518 8.94818 -10.0518 16.7563 22.7234 8.9481 22.7234 -12.1709 GPRESSAVG: 300000 0.613351 -7.02569 9.29719 -12.8233 15.5399 22.1298 9.159 23.3221 -11.3441 TIMING: 300000 CPU: 1008.58, 0.00464287/step Wall: 1008.58, 0.00464287/step, 6.06152 hours remaining, 229.667969 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: 300000 4040.0287 20492.9396 14472.0687 230.0854 -203473.8254 2484.4486 0.0000 0.0000 51982.6566 -109771.5978 298.7450 -161754.2543 -109411.7232 299.0378 66.5123 92.7923 762854.3587 1.6429 1.6030 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 PRESSURE: 300200 97.7352 -28.223 -153.976 -28.2232 -168.576 -217.018 -153.975 -217.017 -281.323 GPRESSURE: 300200 157.534 12.3657 -133.162 7.16287 -24.7913 -176.069 -78.6073 -84.1123 -407.269 PRESSAVG: 300200 -7.72254 -14.9607 40.9128 -14.9607 18.1164 37.6624 40.9128 37.6624 -10.8073 GPRESSAVG: 300200 -6.61527 -15.6668 41.5941 -14.1863 17.8932 39.5261 41.1951 35.6592 -11.8811 TIMING: 300200 CPU: 1009.22, 0.0031913/step Wall: 1009.22, 0.0031913/step, 4.16625 hours remaining, 229.667969 MB of memory in use. ENERGY: 300200 4067.6301 20465.3516 14435.5439 237.4038 -203712.2884 2845.0866 0.0000 0.0000 51807.6409 -109853.6314 297.7392 -161661.2723 -109496.9359 298.6179 -117.3876 -91.5087 761000.4866 -0.1378 -0.2011 LDB: ============= START OF LOAD BALANCING ============== 1021.65 LDB: ============== END OF LOAD BALANCING =============== 1021.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1021.65 LDB: ============= START OF LOAD BALANCING ============== 1021.97 LDB: Largest compute 7073 load 0.035147 is 18.0% of average load 0.194955 LDB: Average compute 0.004434 is 2.3% of average load 0.194955 LDB: TIME 1021.97 LOAD: AVG 0.194955 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 1021.97 LOAD: AVG 0.194955 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.512 MB LDB: TIME 1021.97 LOAD: AVG 0.194955 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.512 MB LDB: ============== END OF LOAD BALANCING =============== 1021.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1021.98 PRESSURE: 300400 551.484 179.429 -138.99 179.428 288.678 185.133 -138.99 185.133 -272.286 GPRESSURE: 300400 545.877 53.3437 -122.98 130.218 357.22 132.441 -78.9664 249.497 -249.79 PRESSAVG: 300400 -15.2088 23.0367 5.05376 23.0367 2.98186 57.5059 5.05379 57.5058 -19.2801 GPRESSAVG: 300400 -15.2595 22.7811 6.01361 21.8669 2.61931 56.7193 5.82415 57.8498 -19.066 TIMING: 300400 CPU: 1009.87, 0.00324141/step Wall: 1009.87, 0.00324141/step, 4.23149 hours remaining, 231.132812 MB of memory in use. ENERGY: 300400 3978.9713 20378.8869 14393.4845 267.5085 -203635.7119 2620.9602 0.0000 0.0000 52235.2572 -109760.6433 300.1967 -161995.9005 -109393.4335 299.0944 189.2921 217.7690 759559.0204 -10.5023 -10.5687 PRESSURE: 300600 -95.7134 -5.24726 256.265 -5.24644 -438.811 -107.233 256.265 -107.232 50.3375 GPRESSURE: 300600 -27.9795 45.389 135.088 17.6817 -452.459 -62.5188 315.722 -46.0471 100.515 PRESSAVG: 300600 16.5198 23.0197 31.6689 23.0198 15.613 -4.34643 31.6689 -4.34643 6.24699 GPRESSAVG: 300600 16.2603 19.9484 28.3352 24.1837 14.7678 -3.1442 31.0924 -3.29718 7.36919 TIMING: 300600 CPU: 1010.5, 0.00315811/step Wall: 1010.5, 0.00315811/step, 4.12256 hours remaining, 231.425781 MB of memory in use. ENERGY: 300600 4030.0297 20458.7358 14395.3208 240.6801 -203449.1742 2534.8376 0.0000 0.0000 52139.6322 -109649.9381 299.6472 -161789.5703 -109294.5264 299.1312 -161.3957 -126.6410 761680.3844 12.7932 12.7991 PRESSURE: 300800 279.187 15.2599 187.722 15.2588 -354.688 121.964 187.721 121.962 -71.9162 GPRESSURE: 300800 342.28 123.059 189.542 54.0701 -312.245 57.8189 185.547 27.256 -83.3398 PRESSAVG: 300800 14.2266 -11.0882 56.1237 -11.0882 -11.8888 -23.4034 56.1237 -23.4035 30.7052 GPRESSAVG: 300800 14.1559 -9.03787 58.5839 -10.304 -10.6823 -25.2079 54.3789 -25.9904 29.5831 TIMING: 300800 CPU: 1011.13, 0.00315351/step Wall: 1011.13, 0.00315351/step, 4.11638 hours remaining, 231.425781 MB of memory in use. ENERGY: 300800 3949.5309 20467.0594 14393.5741 243.0720 -202953.5196 2237.2695 0.0000 0.0000 51994.7566 -109668.2571 298.8146 -161663.0137 -109303.8964 299.1896 -49.1388 -17.7682 761369.3836 11.0143 11.0189 PRESSURE: 301000 -11.6214 82.5091 -1.44387 82.5083 -44.1029 -118.199 -1.44358 -118.2 -212.014 GPRESSURE: 301000 -53.841 60.8927 -63.4319 55.0691 53.3822 -76.0395 87.7 -77.8949 -182.081 PRESSAVG: 301000 23.1191 -16.027 36.8263 -16.027 29.4162 68.4381 36.8263 68.4381 -13.9671 GPRESSAVG: 301000 22.7877 -16.9973 36.9735 -16.4227 29.7382 69.8332 39.7916 68.8457 -14.5758 TIMING: 301000 CPU: 1011.77, 0.00315718/step Wall: 1011.77, 0.00315718/step, 4.12099 hours remaining, 231.628906 MB of memory in use. ENERGY: 301000 3975.9120 20619.2050 14437.8288 271.0820 -203073.5261 2284.5336 0.0000 0.0000 51811.9762 -109672.9886 297.7641 -161484.9648 -109312.3869 299.0196 -89.2462 -60.8467 760276.9838 12.8561 12.6500 PRESSURE: 301200 -389.654 135.234 -52.7081 135.233 -36.8183 85.0707 -52.7077 85.0698 59.3156 GPRESSURE: 301200 -350.053 17.1795 -2.56228 101.013 -59.801 75.72 -55.9551 -114.732 120.444 PRESSAVG: 301200 39.7056 -44.8145 29.9983 -44.8145 -35.3402 50.4017 29.9983 50.4017 35.8074 GPRESSAVG: 301200 40.6251 -45.0256 30.3846 -44.2277 -35.3862 50.3645 27.6171 50.1669 34.6276 TIMING: 301200 CPU: 1012.39, 0.00312907/step Wall: 1012.39, 0.00312907/step, 4.08413 hours remaining, 231.628906 MB of memory in use. ENERGY: 301200 3982.8852 20329.0617 14447.2232 233.2467 -203238.6082 2332.8845 0.0000 0.0000 52197.2133 -109716.0937 299.9781 -161913.3070 -109347.2288 298.6590 -122.3857 -96.4702 761725.7288 13.3910 13.2888 PRESSURE: 301400 -263.619 50.5503 208.686 50.5503 -159.676 119.253 208.687 119.252 -175.868 GPRESSURE: 301400 -147.511 47.8387 322.509 34.1694 -203.832 70.3112 83.6681 106.742 -157.95 PRESSAVG: 301400 33.7553 19.2636 -3.54749 19.2637 -14.7236 2.6785 -3.54746 2.6785 -6.91684 GPRESSAVG: 301400 33.6752 20.8449 -5.04414 19.6627 -16.1908 3.81604 -1.37968 3.18925 -5.64518 TIMING: 301400 CPU: 1013.04, 0.00322718/step Wall: 1013.04, 0.00322718/step, 4.212 hours remaining, 231.628906 MB of memory in use. ENERGY: 301400 4013.9896 20334.3712 14404.5209 246.9627 -202799.8584 2187.7741 0.0000 0.0000 51840.3960 -109771.8439 297.9275 -161612.2399 -109416.8085 298.1016 -199.7211 -169.7641 761399.1421 4.0383 3.9464 PRESSURE: 301600 75.494 -292.698 51.1458 -292.698 -106.18 139.088 51.1463 139.089 13.6772 GPRESSURE: 301600 99.8683 -299.337 31.8692 -223.311 -120.578 90.2374 152.434 152.945 91.5241 PRESSAVG: 301600 41.1911 -80.7074 34.9524 -80.7074 -5.39832 1.41382 34.9524 1.41382 13.0154 GPRESSAVG: 301600 38.1617 -81.5037 34.9979 -80.5017 -3.73063 1.37738 34.8455 2.7929 14.1773 TIMING: 301600 CPU: 1013.67, 0.0031536/step Wall: 1013.67, 0.0031536/step, 4.11579 hours remaining, 231.628906 MB of memory in use. ENERGY: 301600 3974.5212 20330.6764 14459.0895 266.1663 -203602.1126 2781.3925 0.0000 0.0000 52011.3491 -109778.9175 298.9099 -161790.2666 -109413.3740 298.1794 -5.6697 23.6047 762458.4426 16.2694 16.2028 PRESSURE: 301800 -9.69395 -65.2009 186.416 -65.1997 245.924 27.8896 186.416 27.8894 -170.385 GPRESSURE: 301800 67.4818 -31.6088 115.566 -168.377 211.299 43.7176 268.125 23.502 -138.275 PRESSAVG: 301800 -3.84419 -58.4246 -45.0722 -58.4246 -34.1454 22.4293 -45.0722 22.4293 -14.1916 GPRESSAVG: 301800 -2.39711 -58.5617 -43.7183 -58.5105 -34.9465 21.6461 -46.3718 20.3029 -15.5147 TIMING: 301800 CPU: 1014.3, 0.00316008/step Wall: 1014.3, 0.00316008/step, 4.12408 hours remaining, 231.628906 MB of memory in use. ENERGY: 301800 3973.2402 20433.1679 14469.9828 267.6068 -203483.4953 2778.7492 0.0000 0.0000 51901.4272 -109659.3210 298.2782 -161560.7483 -109307.6228 298.4263 21.9483 46.8353 762781.1307 -17.3938 -17.6194 PRESSURE: 302000 353.065 183.965 -128.08 183.965 -167.05 201.205 -128.079 201.204 40.931 GPRESSURE: 302000 337.247 202.387 -117.468 127.974 -68.4379 123.566 -48.0812 198.904 44.0187 PRESSAVG: 302000 48.1585 1.88615 24.8351 1.88611 -42.4947 66.023 24.8352 66.023 -4.4107 GPRESSAVG: 302000 48.6652 3.24509 24.9 0.130621 -42.5779 65.5422 25.0147 67.2811 -4.58566 TIMING: 302000 CPU: 1014.93, 0.00314862/step Wall: 1014.93, 0.00314862/step, 4.10895 hours remaining, 231.628906 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: 302000 3995.6115 20632.7214 14542.9947 233.6067 -203622.1088 2564.1911 0.0000 0.0000 51888.7531 -109764.2304 298.2054 -161652.9834 -109406.6043 299.4144 75.6486 104.2758 761566.7318 0.4177 0.5005 PRESSURE: 302200 -0.189834 -131.412 -39.141 -131.412 -316.036 80.0653 -39.1423 80.0658 182.957 GPRESSURE: 302200 0.999783 -119.431 -106.439 -89.7587 -205.843 107.253 -5.94783 48.5219 158.558 PRESSAVG: 302200 92.8332 -47.2405 -24.8159 -47.2406 -29.5175 -13.9081 -24.816 -13.9079 20.1463 GPRESSAVG: 302200 92.6776 -46.1651 -27.037 -48.9344 -27.7743 -14.1036 -23.1816 -13.1435 19.0906 TIMING: 302200 CPU: 1015.56, 0.00315808/step Wall: 1015.56, 0.00315808/step, 4.12112 hours remaining, 231.628906 MB of memory in use. ENERGY: 302200 3952.9278 20570.5768 14395.9899 266.6018 -203749.1396 2573.3515 0.0000 0.0000 51945.7290 -110043.9626 298.5328 -161989.6916 -109682.4291 298.6530 -44.4230 -15.4283 760530.8228 27.8206 27.9980 PRESSURE: 302400 307.81 -134.898 -65.8152 -134.898 187.777 39.4288 -65.8147 39.4303 233.372 GPRESSURE: 302400 374.079 -50.6119 -42.9617 -87.2902 162.359 66.1616 75.7723 -4.74533 267.362 PRESSAVG: 302400 5.31302 5.69766 -61.1121 5.69764 -30.1305 -2.19566 -61.1121 -2.19564 1.21863 GPRESSAVG: 302400 6.05367 5.66546 -59.9591 8.69473 -32.6504 -2.05355 -63.0287 -2.60749 2.90613 TIMING: 302400 CPU: 1016.19, 0.0031605/step Wall: 1016.19, 0.0031605/step, 4.1241 hours remaining, 231.628906 MB of memory in use. ENERGY: 302400 3968.0549 20621.7345 14464.0511 239.5352 -204178.6482 2885.8818 0.0000 0.0000 51927.8783 -110071.5124 298.4302 -161999.3906 -109707.1743 299.0643 242.9864 267.9333 761002.9068 -7.8663 -7.8969 PRESSURE: 302600 237.801 -25.9939 150.646 -25.9926 -45.5783 105.109 150.646 105.109 121.002 GPRESSURE: 302600 226.473 -47.2002 119.953 1.80703 15.721 67.3435 167.452 145.307 160.788 PRESSAVG: 302600 7.89845 12.5721 10.5397 12.572 -18.229 -27.7209 10.5397 -27.7209 -35.8717 GPRESSAVG: 302600 7.47039 9.681 10.3888 12.1009 -17.7529 -28.1359 10.6972 -27.3923 -35.7653 TIMING: 302600 CPU: 1016.84, 0.00323122/step Wall: 1016.84, 0.00323122/step, 4.21621 hours remaining, 231.628906 MB of memory in use. ENERGY: 302600 3984.1194 20364.8896 14426.4997 251.4566 -203613.2342 2570.8152 0.0000 0.0000 52174.6758 -109840.7780 299.8486 -162015.4538 -109475.8016 299.2366 104.4083 134.3274 760486.6208 -15.4007 -15.3493 PRESSURE: 302800 63.9631 29.7841 329.501 29.7837 166.147 -121.634 329.501 -121.635 332.435 GPRESSURE: 302800 148.696 -59.1566 235.901 58.7659 243.798 -170.039 315.28 -124.044 289.02 PRESSAVG: 302800 39.6199 -27.5456 55.3103 -27.5456 -54.5925 35.0373 55.3103 35.0372 16.8247 GPRESSAVG: 302800 39.0745 -27.0672 54.4751 -27.926 -54.7227 36.1206 55.5679 34.9844 17.5371 TIMING: 302800 CPU: 1017.49, 0.00325007/step Wall: 1017.49, 0.00325007/step, 4.24062 hours remaining, 231.628906 MB of memory in use. ENERGY: 302800 4040.9983 20483.1003 14452.5450 243.5992 -203496.2688 2780.7741 0.0000 0.0000 51707.3556 -109787.8962 297.1629 -161495.2518 -109435.5624 299.1009 187.5151 227.1713 759754.1901 0.6173 0.6296 PRESSURE: 303000 -278.433 222.484 189.662 222.483 -359.112 111.056 189.661 111.057 -296.208 GPRESSURE: 303000 -273.051 195.128 164.256 145.217 -361.008 132.66 107.935 33.188 -208.502 PRESSAVG: 303000 22.0194 -30.7345 19.2069 -30.7344 -17.4583 40.3929 19.207 40.393 7.24036 GPRESSAVG: 303000 23.2489 -31.986 19.9723 -28.9738 -18.6569 38.817 18.4665 40.361 7.17704 TIMING: 303000 CPU: 1018.12, 0.00316996/step Wall: 1018.12, 0.00316996/step, 4.13592 hours remaining, 231.628906 MB of memory in use. ENERGY: 303000 4080.1076 20581.1804 14429.5929 234.8585 -203201.8120 2143.0143 0.0000 0.0000 52021.3881 -109711.6701 298.9676 -161733.0582 -109356.6316 299.0505 -311.2511 -280.8536 759606.8466 3.9338 3.9230 PRESSURE: 303200 283.66 -32.1655 107.885 -32.1646 -190.99 82.9001 107.885 82.8986 2.82537 GPRESSURE: 303200 289.56 87.4869 59.45 61.0461 -154.302 174.26 63.1629 94.2707 30.1573 PRESSAVG: 303200 -1.065 -13.1622 57.234 -13.1622 16.9349 49.1808 57.234 49.1808 -0.306203 GPRESSAVG: 303200 -2.32483 -12.3127 57.4168 -15.435 18.4046 49.1341 57.7875 50.9465 -0.891058 TIMING: 303200 CPU: 1018.81, 0.00342793/step Wall: 1018.81, 0.00342793/step, 4.4723 hours remaining, 231.628906 MB of memory in use. ENERGY: 303200 3896.1229 20515.5945 14471.0306 237.0166 -203793.7953 2774.4890 0.0000 0.0000 52228.5075 -109671.0342 300.1580 -161899.5417 -109309.8653 299.3404 31.8321 55.1386 759451.9057 5.1879 5.0629 PRESSURE: 303400 124.551 89.2335 2.62818 89.2334 -50.3002 43.7775 2.62776 43.7774 97.7541 GPRESSURE: 303400 112.684 46.3528 -22.9666 70.5975 18.6319 -35.2041 57.077 27.5214 118.671 PRESSAVG: 303400 -43.4442 30.3468 -3.19133 30.3468 26.6258 15.7925 -3.19133 15.7925 24.4792 GPRESSAVG: 303400 -42.8985 31.1089 -3.42661 31.0465 26.7279 16.5477 -1.04671 12.6267 23.8498 TIMING: 303400 CPU: 1019.47, 0.0033096/step Wall: 1019.47, 0.0033096/step, 4.31774 hours remaining, 231.628906 MB of memory in use. ENERGY: 303400 4053.8796 20631.0612 14510.7114 260.0563 -204017.8014 2757.3623 0.0000 0.0000 52152.9678 -109651.7628 299.7238 -161804.7306 -109289.4948 299.7338 57.3351 83.3290 759132.8299 2.5536 2.5597 PRESSURE: 303600 -388.189 49.3457 -262.609 49.3466 -285.599 -116.373 -262.608 -116.372 -288.356 GPRESSURE: 303600 -360.875 -49.9067 -304.47 73.2376 -157.755 -112.547 -231.418 -206.982 -347.653 PRESSAVG: 303600 34.8124 0.820265 22.8733 0.820213 5.505 -3.63793 22.8734 -3.63788 -13.914 GPRESSAVG: 303600 35.5167 1.55972 22.838 0.167119 6.01041 -2.94677 21.8732 -2.63787 -13.9232 TIMING: 303600 CPU: 1020.12, 0.00324883/step Wall: 1020.12, 0.00324882/step, 4.23827 hours remaining, 231.628906 MB of memory in use. ENERGY: 303600 4106.0981 20600.9486 14414.9209 257.3371 -203541.7485 2472.1010 0.0000 0.0000 52026.7369 -109663.6060 298.9984 -161690.3429 -109295.4910 299.4300 -320.7147 -288.7612 762158.2492 8.8011 9.2013 PRESSURE: 303800 -259.057 -0.286705 -285.163 -0.28702 217.223 118.515 -285.164 118.514 -105.798 GPRESSURE: 303800 -186.149 -73.5697 -169.492 118.12 172.481 200.148 -208.042 163.595 -37.132 PRESSAVG: 303800 -26.4772 35.3506 -3.91219 35.3505 42.8919 -17.1262 -3.91225 -17.1262 -1.40743 GPRESSAVG: 303800 -27.5947 34.8705 -2.81344 36.6806 44.3696 -17.2282 -3.21843 -16.7915 -0.964566 TIMING: 303800 CPU: 1020.75, 0.0031713/step Wall: 1020.75, 0.0031713/step, 4.13696 hours remaining, 231.628906 MB of memory in use. ENERGY: 303800 4008.5122 20575.9061 14431.4105 237.7532 -203794.5556 2645.3159 0.0000 0.0000 52202.4753 -109693.1825 300.0083 -161895.6577 -109334.9204 299.6031 -49.2110 -16.9333 761439.8776 5.0024 5.2701 PRESSURE: 304000 -183.507 -30.8192 -93.7098 -30.8187 -322.08 118.604 -93.7106 118.603 227.505 GPRESSURE: 304000 -208.359 -20.702 -101.129 0.861302 -162.284 -21.6036 1.19952 170.091 166.725 PRESSAVG: 304000 -23.4387 37.7904 -9.85941 37.7903 28.5796 7.22292 -9.85943 7.22289 -14.7064 GPRESSAVG: 304000 -22.883 35.4188 -10.3009 38.0166 28.559 7.95304 -10.2389 6.96654 -14.8773 TIMING: 304000 CPU: 1021.39, 0.00318757/step Wall: 1021.39, 0.00318757/step, 4.15801 hours remaining, 231.628906 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: 304000 4035.1414 20735.3054 14500.8759 245.4732 -204046.2603 2912.9189 0.0000 0.0000 51904.4352 -109712.1102 298.2955 -161616.5454 -109350.4694 299.5757 -92.6940 -67.9730 762329.1249 -3.1885 -3.0671 PRESSURE: 304200 204.622 189.318 109.353 189.317 148.499 -201.265 109.352 -201.264 -188.96 GPRESSURE: 304200 232.777 188.896 44.7908 224.475 158.619 -265.027 89.5835 -265.142 -150.141 PRESSAVG: 304200 24.7597 8.33124 -22.9578 8.3312 -10.2623 15.1008 -22.9578 15.1008 12.6043 GPRESSAVG: 304200 25.6781 10.1066 -23.9033 6.31549 -10.6583 13.0907 -23.8866 13.5251 12.4925 TIMING: 304200 CPU: 1022.03, 0.00317183/step Wall: 1022.03, 0.00317183/step, 4.13731 hours remaining, 231.628906 MB of memory in use. ENERGY: 304200 3920.5655 20549.1949 14492.2579 230.4808 -203776.9969 2651.4159 0.0000 0.0000 52169.4481 -109763.6338 299.8185 -161933.0819 -109399.5025 299.2888 54.7203 80.4182 761676.9995 9.0339 9.1708 LDB: ============= START OF LOAD BALANCING ============== 1034.45 LDB: ============== END OF LOAD BALANCING =============== 1034.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1034.45 LDB: ============= START OF LOAD BALANCING ============== 1034.77 LDB: Largest compute 7073 load 0.034089 is 17.5% of average load 0.195008 LDB: Average compute 0.004415 is 2.3% of average load 0.195008 LDB: TIME 1034.77 LOAD: AVG 0.195008 MAX 0.218465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.621 MB LDB: TIME 1034.77 LOAD: AVG 0.195008 MAX 0.218465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.625 MB LDB: TIME 1034.77 LOAD: AVG 0.195008 MAX 0.215518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.625 MB LDB: ============== END OF LOAD BALANCING =============== 1034.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1034.78 PRESSURE: 304400 -88.4334 27.8744 98.3051 27.8739 144.523 59.372 98.306 59.371 99.0773 GPRESSURE: 304400 -11.6497 -1.554 141.907 128.681 166.385 141.941 139.288 127.791 94.2215 PRESSAVG: 304400 14.4581 7.26038 -15.6127 7.26036 -34.7082 11.7615 -15.6127 11.7615 -3.7776 GPRESSAVG: 304400 14.3815 7.90111 -15.449 7.79492 -35.7304 12.6694 -15.4075 12.7897 -2.34954 TIMING: 304400 CPU: 1022.68, 0.00324502/step Wall: 1022.68, 0.00324502/step, 4.23259 hours remaining, 230.621094 MB of memory in use. ENERGY: 304400 3984.8074 20494.9122 14467.8439 235.9082 -203483.7011 2516.5565 0.0000 0.0000 51919.1777 -109864.4952 298.3802 -161783.6729 -109499.3248 298.7078 51.7224 82.9857 762897.0917 -8.0092 -7.8995 PRESSURE: 304600 226.737 -1.95091 73.2719 -1.95136 123.593 -102.546 73.2726 -102.546 -71.2539 GPRESSURE: 304600 249.922 -24.5056 105.121 -0.599072 79.2558 61.4333 -172.258 -118.606 37.168 PRESSAVG: 304600 32.6471 -39.3206 -30.5342 -39.3206 -8.05273 -42.4456 -30.5342 -42.4455 -9.77582 GPRESSAVG: 304600 32.5922 -39.4573 -29.3552 -39.5924 -7.04685 -42.5272 -31.9178 -41.4777 -10.2244 TIMING: 304600 CPU: 1023.32, 0.00320809/step Wall: 1023.32, 0.00320809/step, 4.18424 hours remaining, 230.621094 MB of memory in use. ENERGY: 304600 3993.0414 20634.3394 14516.0998 253.6391 -203563.2657 2551.9133 0.0000 0.0000 52042.9719 -109571.2607 299.0917 -161614.2326 -109210.6247 299.5619 93.0254 122.1152 760212.6277 4.9395 5.1070 PRESSURE: 304800 32.6588 -0.259184 182.649 -0.258226 61.986 -179.478 182.649 -179.478 31.6181 GPRESSURE: 304800 70.7924 116.142 176.7 -229.682 119.434 -174.785 195.56 -376.958 33.5656 PRESSAVG: 304800 40.9759 -52.0046 -3.39619 -52.0046 -44.6517 0.284395 -3.39621 0.284382 9.80805 GPRESSAVG: 304800 40.6924 -50.1325 -4.88949 -52.1818 -44.5454 0.0549952 -1.15291 -1.75945 10.2797 TIMING: 304800 CPU: 1023.96, 0.00321317/step Wall: 1023.96, 0.00321317/step, 4.19069 hours remaining, 230.621094 MB of memory in use. ENERGY: 304800 3948.7373 20628.4439 14411.4083 247.4466 -203740.6660 2644.2964 0.0000 0.0000 52310.7015 -109549.6319 300.6303 -161860.3334 -109179.1058 299.5961 42.0876 74.5973 760414.5587 2.0441 2.1422 PRESSURE: 305000 98.4643 -128.259 -147.127 -128.259 149.871 -64.1714 -147.127 -64.1715 -21.3882 GPRESSURE: 305000 164.006 -107.36 -68.8434 -161.841 157.285 -31.2583 -137.447 -40.2442 2.41304 PRESSAVG: 305000 24.2452 -109.451 19.6582 -109.451 -23.9836 15.3563 19.6582 15.3563 -19.3931 GPRESSAVG: 305000 23.4825 -112.017 19.6416 -109.736 -23.1376 15.8472 19.4735 16.077 -20.1363 TIMING: 305000 CPU: 1024.6, 0.00317972/step Wall: 1024.6, 0.00317972/step, 4.14688 hours remaining, 230.621094 MB of memory in use. ENERGY: 305000 4006.9009 20699.3847 14467.4683 232.7032 -203692.5851 2583.7974 0.0000 0.0000 52430.6350 -109271.6956 301.3196 -161702.3306 -108916.0117 300.2939 75.6490 107.9014 760006.1385 -6.3772 -6.5971 PRESSURE: 305200 -132.587 85.4567 -56.0736 85.4562 -451.898 -141.919 -56.0733 -141.919 170.693 GPRESSURE: 305200 -122.307 77.1533 -247.434 41.8157 -381.994 -103.58 3.6603 -171.518 190.636 PRESSAVG: 305200 56.5732 -37.7584 19.7755 -37.7585 -43.8051 -19.0088 19.7756 -19.0088 -12.3483 GPRESSAVG: 305200 56.1416 -37.7528 19.6791 -36.1419 -43.3084 -19.6798 19.7008 -19.6085 -11.9549 TIMING: 305200 CPU: 1025.23, 0.00315884/step Wall: 1025.23, 0.00315884/step, 4.11948 hours remaining, 230.621094 MB of memory in use. ENERGY: 305200 3988.1391 20669.7457 14423.9485 248.5113 -203312.1664 2453.5113 0.0000 0.0000 52132.5341 -109395.7765 299.6064 -161528.3105 -109031.2948 300.2999 -137.9306 -104.5552 761236.0840 0.1399 0.2928 PRESSURE: 305400 -161.79 -163.234 50.1283 -163.235 -227.819 220.646 50.128 220.646 -14.8825 GPRESSURE: 305400 -114.493 -77.4282 65.3529 -229.356 -223.119 256.796 10.349 60.9638 16.9288 PRESSAVG: 305400 -10.307 -86.1765 57.2015 -86.1765 37.0646 -34.3217 57.2016 -34.3217 18.1138 GPRESSAVG: 305400 -10.2247 -84.6971 58.3431 -87.3663 36.6974 -33.8283 56.4579 -33.3639 17.994 TIMING: 305400 CPU: 1025.86, 0.0031736/step Wall: 1025.86, 0.0031736/step, 4.13855 hours remaining, 230.820312 MB of memory in use. ENERGY: 305400 3959.8340 20309.7665 14491.4512 259.3308 -203016.8269 2215.8518 0.0000 0.0000 51978.4177 -109802.1749 298.7207 -161780.5927 -109429.7276 299.2165 -134.8305 -106.8944 760718.0212 14.9571 14.8222 PRESSURE: 305600 87.8897 62.1061 92.2263 62.1066 297.399 -93.607 92.2269 -93.6074 308.424 GPRESSURE: 305600 196.538 40.8867 108.069 73.7149 275.609 -145.716 139.552 -45.4889 323.97 PRESSAVG: 305600 52.0591 -25.2203 46.697 -25.2203 -36.5149 17.7967 46.697 17.7967 -3.80922 GPRESSAVG: 305600 52.7012 -25.2435 46.2303 -25.4601 -37.6456 16.9867 45.7015 17.6521 -3.61706 TIMING: 305600 CPU: 1026.5, 0.00320456/step Wall: 1026.5, 0.00320456/step, 4.17875 hours remaining, 230.820312 MB of memory in use. ENERGY: 305600 3970.1088 20551.2258 14431.6320 242.8653 -203891.3698 2780.2102 0.0000 0.0000 52067.4495 -109847.8782 299.2323 -161915.3277 -109484.7489 299.0312 231.2375 265.3719 759773.6484 3.9117 3.8128 PRESSURE: 305800 17.5854 -193.805 109.347 -193.805 -21.6441 -22.1303 109.347 -22.129 -9.27394 GPRESSURE: 305800 20.9621 -163.857 154.107 -141.884 101.061 -27.8131 157.998 -78.1417 -55.8861 PRESSAVG: 305800 -6.84546 9.91253 -15.9869 9.91251 13.7025 -4.2956 -15.9869 -4.29558 -1.13835 GPRESSAVG: 305800 -6.04611 8.56432 -15.832 10.6843 13.8952 -3.62051 -14.4517 -3.13595 -1.88475 TIMING: 305800 CPU: 1027.14, 0.00318514/step Wall: 1027.14, 0.00318514/step, 4.15324 hours remaining, 230.890625 MB of memory in use. ENERGY: 305800 3898.6502 20718.0118 14452.5368 242.8187 -203152.7369 2264.7294 0.0000 0.0000 51929.7179 -109646.2721 298.4408 -161575.9900 -109291.4540 299.0431 -4.4442 22.0456 761701.1791 1.9062 1.9881 PRESSURE: 306000 -222.432 -32.3137 -53.9229 -32.3134 -235.561 154.524 -53.9235 154.524 150.084 GPRESSURE: 306000 -214.682 -73.7009 -46.5476 14.7979 -270.873 237.938 -125.114 54.8926 265.845 PRESSAVG: 306000 46.3118 -42.0962 -21.6955 -42.0963 5.65271 17.8628 -21.6955 17.8628 3.87896 GPRESSAVG: 306000 46.0282 -42.8378 -23.0553 -41.7667 5.2943 18.4337 -22.1959 15.6833 3.90544 TIMING: 306000 CPU: 1027.77, 0.00315338/step Wall: 1027.77, 0.00315338/step, 4.11166 hours remaining, 230.890625 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: 306000 4042.5899 20714.3054 14536.8434 258.8987 -203293.4435 2355.9275 0.0000 0.0000 51841.3529 -109543.5258 297.9330 -161384.8787 -109183.6136 299.0466 -102.6365 -73.2370 761934.4425 18.6145 18.4093 PRESSURE: 306200 17.4089 -84.8104 149.909 -84.8103 -548.586 115.683 149.91 115.683 -229.813 GPRESSURE: 306200 -32.8535 -130.175 154.36 -135.191 -393.421 75.5867 -101.58 82.9053 -251.626 PRESSAVG: 306200 7.23443 -9.91524 37.0597 -9.91522 -75.4817 51.1356 37.0598 51.1355 -14.9691 GPRESSAVG: 306200 6.78662 -9.22388 37.7661 -10.7729 -75.466 48.9244 34.3364 53.3331 -14.8714 TIMING: 306200 CPU: 1028.4, 0.00313585/step Wall: 1028.4, 0.00313585/step, 4.08863 hours remaining, 230.890625 MB of memory in use. ENERGY: 306200 3984.2297 20600.8773 14408.9280 253.2401 -203182.2081 2202.4707 0.0000 0.0000 52217.0372 -109515.4250 300.0920 -161732.4623 -109141.5580 299.1967 -253.6635 -225.9670 762445.6751 -27.7388 -27.8503 PRESSURE: 306400 -201.494 -131.042 94.8116 -131.042 -59.5485 -73.8495 94.8113 -73.8493 -105.927 GPRESSURE: 306400 -173.259 -159.694 215.962 -17.2915 -114.589 -102.789 -8.96166 -73.4828 -5.71325 PRESSAVG: 306400 17.6429 -67.8935 11.8287 -67.8936 -41.0034 4.01165 11.8288 4.01159 -35.3352 GPRESSAVG: 306400 16.535 -68.6667 11.0993 -67.8291 -39.1434 6.43812 14.8006 4.00306 -36.01 TIMING: 306400 CPU: 1029.03, 0.00318455/step Wall: 1029.03, 0.00318455/step, 4.15194 hours remaining, 230.890625 MB of memory in use. ENERGY: 306400 4035.4122 20677.0113 14378.1787 269.8901 -203448.0677 2372.2660 0.0000 0.0000 52002.3327 -109712.9767 298.8581 -161715.3094 -109361.1822 299.3266 -122.3233 -97.8538 759666.4952 -19.5653 -19.5395 PRESSURE: 306600 -492.562 -8.58283 -15.2939 -8.58228 -31.5463 -443.343 -15.2931 -443.343 -321.478 GPRESSURE: 306600 -473.478 5.8811 -40.201 4.36304 67.4529 -352.526 -22.2394 -266.494 -367.88 PRESSAVG: 306600 -22.8607 -29.9736 32.0472 -29.9735 47.6268 42.4213 32.0473 42.4213 16.5728 GPRESSAVG: 306600 -20.9455 -27.9333 33.2521 -27.1086 44.2071 43.4067 31.9311 40.8235 18.0392 TIMING: 306600 CPU: 1029.7, 0.00331749/step Wall: 1029.7, 0.00331749/step, 4.32509 hours remaining, 230.890625 MB of memory in use. ENERGY: 306600 4065.6398 20642.9890 14349.0179 240.3407 -203352.0729 2282.4521 0.0000 0.0000 52158.3102 -109613.3232 299.7545 -161771.6334 -109255.5354 299.6713 -281.8621 -257.9685 761603.6287 13.7796 13.7669 PRESSURE: 306800 -52.3898 178.052 442.385 178.052 295.062 -45.3783 442.384 -45.3802 105.093 GPRESSURE: 306800 40.047 161.451 403.165 -6.026 237.423 -92.7651 380.074 -49.4747 152.19 PRESSAVG: 306800 -13.0127 -7.83565 -32.9853 -7.83565 44.7676 -67.5724 -32.9853 -67.5724 -22.415 GPRESSAVG: 306800 -14.906 -8.88507 -31.8074 -10.7981 47.8382 -70.098 -34.1888 -67.2228 -23.205 TIMING: 306800 CPU: 1030.36, 0.00328686/step Wall: 1030.36, 0.00328686/step, 4.28497 hours remaining, 230.890625 MB of memory in use. ENERGY: 306800 4032.9422 20781.8158 14390.7566 248.8654 -203765.3858 2710.2417 0.0000 0.0000 52106.9444 -109493.8197 299.4593 -161600.7641 -109138.3140 299.1862 115.9218 143.2200 761276.4004 3.1133 3.2424 PRESSURE: 307000 49.931 -111.299 -35.8665 -111.3 0.00510139 -155.547 -35.8673 -155.548 428.677 GPRESSURE: 307000 119.487 -54.5733 -29.0341 -77.1947 -3.63291 -168.139 30.4395 -238.29 435.139 PRESSAVG: 307000 -4.9908 -36.3449 12.6914 -36.345 5.14018 -21.4059 12.6914 -21.4059 26.2623 GPRESSAVG: 307000 -5.81412 -36.7699 10.3184 -36.152 5.63828 -20.729 14.8959 -20.7462 26.8449 TIMING: 307000 CPU: 1031, 0.00324065/step Wall: 1031, 0.00324065/step, 4.22454 hours remaining, 230.890625 MB of memory in use. ENERGY: 307000 3903.2611 20646.9461 14448.0914 264.8634 -203522.1132 2581.2324 0.0000 0.0000 51944.5120 -109733.2068 298.5258 -161677.7188 -109370.5069 299.7951 159.5376 183.6643 760266.3365 8.8039 8.8897 PRESSURE: 307200 245.126 -67.5088 -201.411 -67.5096 -138.745 173.178 -201.411 173.177 197.411 GPRESSURE: 307200 276.784 35.225 -232.431 -93.4356 -24.6666 88.8785 -204.606 55.2819 137.422 PRESSAVG: 307200 6.71338 -28.3699 -52.5818 -28.3699 1.88401 -50.2742 -52.5818 -50.2742 1.67553 GPRESSAVG: 307200 8.88271 -25.5839 -51.9415 -27.7654 -0.257268 -52.1038 -54.0352 -51.195 1.72967 TIMING: 307200 CPU: 1031.63, 0.00314008/step Wall: 1031.63, 0.00314008/step, 4.09326 hours remaining, 230.890625 MB of memory in use. ENERGY: 307200 3971.9470 20645.9157 14508.0390 262.2265 -204273.9695 2799.6354 0.0000 0.0000 52001.8912 -110084.3147 298.8556 -162086.2059 -109723.3600 298.8140 101.2641 129.8466 758382.2309 3.4243 3.4517 PRESSURE: 307400 269.331 19.5086 83.0271 19.5088 104.461 28.1525 83.0269 28.1528 350.91 GPRESSURE: 307400 247.345 7.68828 40.4269 -46.3176 118.818 73.5732 9.77755 -22.3491 429.295 PRESSAVG: 307400 7.45235 22.0759 -45.2679 22.0759 -2.57958 -30.3402 -45.2679 -30.3402 24.9239 GPRESSAVG: 307400 6.83078 20.1388 -45.4131 21.0532 -1.35332 -28.1108 -43.2539 -30.3785 24.6097 TIMING: 307400 CPU: 1032.28, 0.00323117/step Wall: 1032.28, 0.00323117/step, 4.21183 hours remaining, 230.890625 MB of memory in use. ENERGY: 307400 4025.2153 20650.6070 14411.1748 246.1470 -203819.3313 2365.0092 0.0000 0.0000 51898.1149 -110223.0631 298.2592 -162121.1780 -109863.4559 298.3407 241.5672 265.1530 758041.8271 9.9322 10.0291 PRESSURE: 307600 -133.793 -50.418 -102.12 -50.4182 -213.979 -320.671 -102.12 -320.671 77.9941 GPRESSURE: 307600 -139.936 7.14106 -232.611 -52.562 -68.4654 -325.19 -117.691 -254.23 23.6928 PRESSAVG: 307600 -0.359497 -77.6455 -56.9791 -77.6455 -7.01304 24.6752 -56.979 24.6752 28.6581 GPRESSAVG: 307600 -0.507768 -75.8859 -55.9916 -77.0446 -6.62269 23.2404 -61.7097 25.7421 28.0053 TIMING: 307600 CPU: 1032.92, 0.00321123/step Wall: 1032.92, 0.00321123/step, 4.18566 hours remaining, 230.890625 MB of memory in use. ENERGY: 307600 3995.0635 20602.4374 14450.1788 258.8121 -203848.3479 2552.2823 0.0000 0.0000 51911.4762 -110078.0977 298.3360 -161989.5739 -109725.9637 298.6261 -89.9259 -61.5694 759651.8487 7.0952 6.9583 PRESSURE: 307800 188.011 85.6388 -306.901 85.6393 -68.3476 304.781 -306.902 304.781 36.7888 GPRESSURE: 307800 153.317 7.6051 -180.79 -46.094 -2.10283 309.18 -41.1816 324.439 91.3879 PRESSAVG: 307800 9.37657 5.0436 -24.5888 5.04362 -37.7273 -1.63764 -24.5888 -1.63766 -2.7093 GPRESSAVG: 307800 8.90848 1.37307 -26.1867 6.62718 -37.5226 0.21146 -21.9921 -2.83895 -2.33827 TIMING: 307800 CPU: 1033.6, 0.00338932/step Wall: 1033.6, 0.00338932/step, 4.41761 hours remaining, 230.890625 MB of memory in use. ENERGY: 307800 3944.0468 20523.2360 14462.8008 249.3300 -203587.4405 2368.7160 0.0000 0.0000 51890.4077 -110148.9033 298.2149 -162039.3110 -109785.6615 298.1751 52.1506 80.8675 760369.3499 -10.3533 -10.3175 PRESSURE: 308000 -158.265 38.4758 81.658 38.4756 185.99 -64.3861 81.6576 -64.3869 -254.877 GPRESSURE: 308000 -126.897 -17.7101 133.876 42.0719 249.037 -53.0932 34.7103 -91.8511 -271.842 PRESSAVG: 308000 18.92 -26.4723 -57.9418 -26.4724 -10.0732 -10.3904 -57.9418 -10.3904 14.0812 GPRESSAVG: 308000 19.2038 -24.0466 -55.2585 -28.0113 -10.6228 -9.45185 -57.9999 -8.93478 14.6631 TIMING: 308000 CPU: 1034.24, 0.00319252/step Wall: 1034.24, 0.00319252/step, 4.16092 hours remaining, 230.890625 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: 308000 3984.8109 20471.9873 14454.0345 253.5138 -204045.0171 2711.5754 0.0000 0.0000 51917.2097 -110251.8855 298.3689 -162169.0952 -109885.7785 297.7731 -75.7170 -49.9005 761230.2152 7.6427 7.7480 PRESSURE: 308200 496.869 45.0248 49.5221 45.025 240.588 -13.2065 49.5221 -13.208 -163.548 GPRESSURE: 308200 424.666 -10.2222 -47.5851 26.4759 360.282 -18.2322 93.5923 9.52201 -126.075 PRESSAVG: 308200 -56.6229 31.9849 -54.7373 31.9849 23.9727 -30.7635 -54.7372 -30.7636 -19.3922 GPRESSAVG: 308200 -56.5046 32.651 -55.9184 31.7065 24.5878 -31.3018 -56.2806 -31.1122 -19.5443 TIMING: 308200 CPU: 1034.86, 0.00313901/step Wall: 1034.86, 0.00313901/step, 4.091 hours remaining, 230.890625 MB of memory in use. ENERGY: 308200 3985.8019 20483.6394 14393.5331 256.2312 -204046.7340 2881.3100 0.0000 0.0000 51816.4021 -110229.8164 297.7896 -162046.2185 -109869.9047 297.7803 191.3032 219.6245 759193.3246 -17.3474 -17.1537 LDB: ============= START OF LOAD BALANCING ============== 1047.28 LDB: ============== END OF LOAD BALANCING =============== 1047.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1047.28 LDB: ============= START OF LOAD BALANCING ============== 1047.6 LDB: Largest compute 7065 load 0.035112 is 18.0% of average load 0.195026 LDB: Average compute 0.004414 is 2.3% of average load 0.195026 LDB: TIME 1047.6 LOAD: AVG 0.195026 MAX 0.215545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.109 MB LDB: TIME 1047.6 LOAD: AVG 0.195026 MAX 0.215545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.18 MB LDB: TIME 1047.6 LOAD: AVG 0.195026 MAX 0.215545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.18 MB LDB: ============== END OF LOAD BALANCING =============== 1047.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1047.61 PRESSURE: 308400 -342.702 -69.5366 124.172 -69.5368 -131.636 90.6741 124.171 90.6746 -114.736 GPRESSURE: 308400 -311.366 -55.5684 51.6781 -41.6042 -79.1435 60.4062 79.9863 20.9678 -118.857 PRESSAVG: 308400 31.4333 57.598 -4.2139 57.598 -17.9596 2.33179 -4.21391 2.33177 9.32216 GPRESSAVG: 308400 31.6652 57.8451 -3.2271 57.8197 -18.2387 2.40557 -1.65259 1.57221 9.20336 TIMING: 308400 CPU: 1035.5, 0.00319003/step Wall: 1035.5, 0.00319003/step, 4.15732 hours remaining, 231.449219 MB of memory in use. ENERGY: 308400 3983.4277 20411.2059 14408.7617 247.8236 -203709.6467 2445.3300 0.0000 0.0000 51851.2583 -110361.8396 297.9899 -162213.0978 -109987.3731 297.4497 -196.3580 -169.7887 759623.4287 7.5986 7.5433 PRESSURE: 308600 -97.5377 -212.187 181.965 -212.187 -79.4736 -20.7017 181.966 -20.7016 -8.26108 GPRESSURE: 308600 -11.613 -144.044 288.097 -151.457 -127.734 -33.3776 52.9695 -67.9816 29.3105 PRESSAVG: 308600 -29.7623 8.34383 30.8998 8.34383 -7.27272 -10.7969 30.8998 -10.7969 9.20967 GPRESSAVG: 308600 -30.0148 9.14319 29.5662 7.51113 -6.84677 -11.4983 30.8928 -10.3508 9.28692 TIMING: 308600 CPU: 1036.13, 0.00314367/step Wall: 1036.13, 0.00314367/step, 4.09673 hours remaining, 231.652344 MB of memory in use. ENERGY: 308600 3937.0931 20527.8352 14467.4617 226.5475 -203945.3364 2590.0862 0.0000 0.0000 51943.1325 -110253.1802 298.5179 -162196.3127 -109893.3203 298.3017 -61.7575 -36.6790 760620.1299 -9.2751 -9.1916 PRESSURE: 308800 -400.308 40.837 197.818 40.8367 87.3437 -288.41 197.818 -288.411 -303.773 GPRESSURE: 308800 -379.044 -58.4273 122.745 -72.6215 149.152 -237.536 183.112 -285.011 -302.044 PRESSAVG: 308800 9.40292 -36.9856 23.162 -36.9856 20.8783 22.2099 23.162 22.21 1.76628 GPRESSAVG: 308800 8.70718 -39.614 23.4958 -36.4611 20.7814 22.5591 22.2957 20.9389 2.355 TIMING: 308800 CPU: 1036.76, 0.0031515/step Wall: 1036.76, 0.0031515/step, 4.10676 hours remaining, 231.652344 MB of memory in use. ENERGY: 308800 3974.4371 20396.9771 14550.4457 251.0124 -204039.7208 2678.7670 0.0000 0.0000 52018.5691 -110169.5123 298.9514 -162188.0815 -109806.6104 298.6831 -205.5792 -177.3119 759357.5276 10.6825 10.6145 PRESSURE: 309000 -260.017 35.2721 -59.736 35.2717 19.1797 27.7312 -59.7359 27.7303 73.0695 GPRESSURE: 309000 -185.184 70.6965 -50.4191 -37.7079 3.83721 80.3103 -59.6364 72.8773 136.979 PRESSAVG: 309000 -38.6215 10.4766 4.88028 10.4767 27.5328 -32.6951 4.88022 -32.695 -21.8389 GPRESSAVG: 309000 -38.3211 13.2457 4.8912 8.20855 28.1791 -32.3502 3.12256 -31.2948 -21.9263 TIMING: 309000 CPU: 1037.39, 0.00313071/step Wall: 1037.39, 0.00313071/step, 4.07949 hours remaining, 231.851562 MB of memory in use. ENERGY: 309000 3965.9929 20380.3692 14412.0755 238.6574 -203760.7841 2728.1366 0.0000 0.0000 52013.3507 -110022.2018 298.9214 -162035.5525 -109657.2308 298.7323 -55.9226 -14.7892 760339.4659 -10.9759 -10.6894 PRESSURE: 309200 -344.654 -159.674 234.878 -159.674 130.56 -5.76324 234.878 -5.7634 -233.429 GPRESSURE: 309200 -306.614 -136.696 287.907 -152.749 88.7847 39.8073 175.218 -69.8247 -118.923 PRESSAVG: 309200 -8.87319 -69.1064 13.6617 -69.1064 60.6017 25.405 13.6618 25.4051 16.4502 GPRESSAVG: 309200 -7.88262 -70.5131 12.011 -65.7142 58.8455 26.2921 16.3037 25.7683 17.0766 TIMING: 309200 CPU: 1038.01, 0.00312633/step Wall: 1038.01, 0.00312633/step, 4.07361 hours remaining, 231.851562 MB of memory in use. ENERGY: 309200 4000.3620 20255.7774 14477.2611 253.5887 -203215.5750 2212.1463 0.0000 0.0000 52168.6674 -109847.7720 299.8140 -162016.4394 -109479.9323 298.6452 -149.1743 -112.2507 761401.6767 22.7262 22.6798 PRESSURE: 309400 -188.73 -107.688 -4.20697 -107.688 -14.2005 201.991 -4.20561 201.99 55.8896 GPRESSURE: 309400 -136.152 -155.912 -16.9676 -159.385 106.931 124.309 -28.3564 57.6668 -52.5101 PRESSAVG: 309400 -58.3078 -24.8002 -7.18569 -24.8002 34.1461 8.27158 -7.18567 8.27155 -8.03117 GPRESSAVG: 309400 -58.3094 -25.7312 -6.38394 -25.9841 35.3979 7.44219 -7.96623 7.87856 -9.6454 TIMING: 309400 CPU: 1038.66, 0.00322408/step Wall: 1038.66, 0.00322407/step, 4.20079 hours remaining, 231.851562 MB of memory in use. ENERGY: 309400 3951.8587 20525.9193 14445.7262 245.1809 -203482.9173 2525.9199 0.0000 0.0000 51849.0998 -109939.2124 297.9775 -161788.3122 -109577.6878 298.9311 -49.0137 -27.2438 759832.1464 -10.7309 -10.8523 PRESSURE: 309600 200.176 130.936 -38.8651 130.936 -76.1065 222.124 -38.8647 222.123 -201.907 GPRESSURE: 309600 206.869 85.4199 27.2826 131.924 -45.578 247.915 -0.440924 10.4797 -162.809 PRESSAVG: 309600 46.146 -69.3404 -23.949 -69.3405 -48.2751 9.08494 -23.949 9.08488 -17.4469 GPRESSAVG: 309600 44.2763 -68.4195 -23.5015 -70.0652 -48.5738 9.63144 -25.2706 9.73091 -15.3752 TIMING: 309600 CPU: 1039.29, 0.00316868/step Wall: 1039.29, 0.00316868/step, 4.12844 hours remaining, 231.921875 MB of memory in use. ENERGY: 309600 4007.2783 20608.2979 14376.4178 248.7070 -203875.9148 2473.8175 0.0000 0.0000 52070.8290 -110090.5673 299.2518 -162161.3964 -109718.8671 298.7582 -25.9458 -0.5063 760046.8650 -6.5254 -6.5576 PRESSURE: 309800 249.409 -65.5032 18.7 -65.5024 23.8524 -41.1748 18.7004 -41.1743 -127.372 GPRESSURE: 309800 264.363 -100.315 18.3004 -58.7225 65.9087 -72.3683 -70.2876 45.4831 -100.136 PRESSAVG: 309800 18.9452 -4.81931 -6.95582 -4.81925 0.286828 5.40606 -6.9559 5.4061 15.1545 GPRESSAVG: 309800 20.661 -5.87764 -7.23923 -5.1096 0.698348 5.82475 -7.87925 2.8691 12.7493 TIMING: 309800 CPU: 1039.92, 0.00315486/step Wall: 1039.92, 0.00315486/step, 4.11025 hours remaining, 231.921875 MB of memory in use. ENERGY: 309800 4017.6593 20588.2761 14413.4998 230.0891 -204062.1425 2732.8067 0.0000 0.0000 51790.4442 -110289.3673 297.6404 -162079.8115 -109938.9178 298.4887 48.6299 76.7120 759946.6958 11.4622 11.3695 PRESSURE: 310000 -253.125 -83.8596 4.02208 -83.8592 -338.051 232.557 4.02159 232.556 397.73 GPRESSURE: 310000 -177.825 -46.534 -42.564 -129.66 -302.744 270.92 -4.75821 151.302 362.801 PRESSAVG: 310000 5.97266 -30.4364 -11.925 -30.4364 -42.0121 50.8891 -11.925 50.889 2.4831 GPRESSAVG: 310000 5.0168 -28.9245 -10.5377 -29.432 -42.3947 50.0968 -10.2124 52.1728 3.86627 TIMING: 310000 CPU: 1040.56, 0.003193/step Wall: 1040.56, 0.003193/step, 4.15977 hours remaining, 231.921875 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: 310000 4001.3744 20394.2897 14495.0619 244.4947 -203784.6527 2705.5499 0.0000 0.0000 51997.4902 -109946.3919 298.8303 -161943.8821 -109580.0026 298.4160 -64.4819 -39.2558 762837.6666 -11.1854 -11.1706 PRESSURE: 310200 -49.1009 188.678 -14.6669 188.678 -105.432 -215.865 -14.666 -215.866 -228.777 GPRESSURE: 310200 -104.037 142.568 -39.4262 104.083 9.3657 -246.725 -23.28 -246.796 -209.39 PRESSAVG: 310200 29.9069 -5.37954 14.6341 -5.37953 -14.5103 30.3811 14.6342 30.381 -46.1275 GPRESSAVG: 310200 29.9131 -6.14733 14.0075 -6.07779 -13.6332 31.0623 14.7635 29.5863 -46.8399 TIMING: 310200 CPU: 1041.19, 0.00315512/step Wall: 1041.19, 0.00315512/step, 4.11025 hours remaining, 231.921875 MB of memory in use. ENERGY: 310200 3981.1537 20490.9785 14448.7801 212.6837 -203670.9686 2629.3145 0.0000 0.0000 52068.5493 -109839.5090 299.2387 -161908.0583 -109474.2365 298.7997 -127.7698 -101.3538 760556.1617 -10.2436 -10.1867 PRESSURE: 310400 -544.173 -87.9352 -112.218 -87.9349 -186.681 -50.8884 -112.218 -50.8871 -311.496 GPRESSURE: 310400 -458.232 -101.189 -196.849 -132.035 -200.18 -47.6139 -118.757 -36.2399 -277.791 PRESSAVG: 310400 -2.41169 17.0746 -49.6813 17.0746 -23.5513 -11.9718 -49.6813 -11.9718 28.4568 GPRESSAVG: 310400 -1.28804 18.5171 -49.622 18.0783 -24.9663 -13.195 -50.8255 -10.436 28.6062 TIMING: 310400 CPU: 1041.85, 0.00328141/step Wall: 1041.85, 0.00328141/step, 4.27458 hours remaining, 231.921875 MB of memory in use. ENERGY: 310400 4036.9200 20523.9021 14350.4394 262.3521 -203473.8934 2480.5188 0.0000 0.0000 51962.8551 -109856.9059 298.6312 -161819.7610 -109491.7242 299.1673 -347.4501 -312.0676 759245.6267 0.8313 0.7839 PRESSURE: 310600 146.302 16.9611 -210.748 16.9602 -4.3467 66.3006 -210.749 66.3009 5.69904 GPRESSURE: 310600 144.14 92.6281 -111.142 199.628 86.131 42.1006 -164.329 -2.82479 6.45778 PRESSAVG: 310600 -41.9778 -35.9174 12.2558 -35.9174 52.0982 5.07537 12.2558 5.07532 -5.75965 GPRESSAVG: 310600 -43.0904 -36.3689 12.5587 -35.3546 53.2394 6.05473 13.9055 5.4319 -6.0173 TIMING: 310600 CPU: 1042.53, 0.00342777/step Wall: 1042.53, 0.00342777/step, 4.46506 hours remaining, 231.921875 MB of memory in use. ENERGY: 310600 3994.2199 20385.8178 14443.1293 214.5783 -203883.9749 2729.2137 0.0000 0.0000 52163.8226 -109953.1935 299.7862 -162117.0160 -109587.4189 299.1489 49.2181 78.9097 760878.4479 1.4536 1.3772 PRESSURE: 310800 -375.178 96.4925 -41.2337 96.4923 -202.776 40.658 -41.233 40.6575 151.658 GPRESSURE: 310800 -251.216 86.0806 -26.8049 71.8355 -185.654 88.1804 -68.6683 159.213 91.2691 PRESSAVG: 310800 -69.7533 7.57006 -12.8767 7.57007 27.5778 24.569 -12.8767 24.569 -12.2779 GPRESSAVG: 310800 -69.5212 6.12311 -13.6867 6.68623 26.1152 23.7992 -16.2615 23.8647 -11.8817 TIMING: 310800 CPU: 1043.17, 0.00316364/step Wall: 1043.17, 0.00316364/step, 4.12082 hours remaining, 231.921875 MB of memory in use. ENERGY: 310800 3988.8268 20560.0654 14413.0639 233.2360 -203253.5905 2279.0487 0.0000 0.0000 51902.9096 -109876.4400 298.2867 -161779.3497 -109508.4683 299.1395 -142.0985 -115.2004 760974.2019 -18.1511 -18.4292 PRESSURE: 311000 -469.431 -170.157 -36.1211 -170.158 -113.976 -11.5545 -36.1207 -11.5544 15.7781 GPRESSURE: 311000 -388.098 8.08799 30.5485 -148.464 -78.1958 -67.1014 -90.6313 -76.5552 14.5102 PRESSAVG: 311000 -46.6501 -14.092 -18.2543 -14.0919 61.8438 37.9891 -18.2543 37.9891 22.4985 GPRESSAVG: 311000 -45.6003 -14.3148 -18.1362 -12.7855 60.5207 38.8608 -16.3548 36.6851 23.141 TIMING: 311000 CPU: 1043.8, 0.00316103/step Wall: 1043.8, 0.00316103/step, 4.11724 hours remaining, 231.921875 MB of memory in use. ENERGY: 311000 3986.5629 20496.4304 14361.6812 233.2164 -203320.5450 2529.5176 0.0000 0.0000 51846.7307 -109866.4059 297.9639 -161713.1365 -109503.1797 299.0889 -189.2096 -150.5944 761414.0472 12.5641 12.6871 PRESSURE: 311200 -150.32 -127.542 209.057 -127.542 -203.541 11.0776 209.059 11.0781 222.092 GPRESSURE: 311200 -38.4435 -127.117 250.316 -20.3084 -235.866 -53.8051 184.606 1.0407 220.436 PRESSAVG: 311200 21.9169 -17.2591 -23.6504 -17.259 25.236 -2.53973 -23.6504 -2.53978 34.8246 GPRESSAVG: 311200 22.464 -15.0638 -22.8419 -18.4441 25.9308 -4.89827 -23.7742 -0.0623823 33.8557 TIMING: 311200 CPU: 1044.43, 0.0031573/step Wall: 1044.43, 0.0031573/step, 4.11221 hours remaining, 231.921875 MB of memory in use. ENERGY: 311200 4083.3225 20386.5997 14363.7332 257.9488 -203506.4597 2315.0409 0.0000 0.0000 52081.4785 -110018.3361 299.3130 -162099.8147 -109650.9624 298.7878 -43.9231 -17.9578 760186.5810 27.3258 27.4169 PRESSURE: 311400 -163.419 15.2422 -122.723 15.2418 463.457 -105.707 -122.723 -105.706 640.05 GPRESSURE: 311400 -174.73 -6.77115 -62.8682 68.1866 522.902 -135.887 -150.495 4.92317 682.229 PRESSAVG: 311400 -62.8234 -42.8186 5.87285 -42.8186 55.7744 -29.2381 5.87283 -29.2381 -13.7827 GPRESSAVG: 311400 -63.4524 -43.3982 4.42854 -42.1028 54.8378 -28.6827 6.18146 -30.6399 -12.8307 TIMING: 311400 CPU: 1045.07, 0.00320163/step Wall: 1045.07, 0.00320163/step, 4.16977 hours remaining, 231.921875 MB of memory in use. ENERGY: 311400 3945.2897 20355.8239 14440.1738 250.7854 -203802.5420 2566.4498 0.0000 0.0000 51905.0428 -110338.9766 298.2990 -162244.0195 -109979.6935 297.9068 313.3627 343.4668 758891.9065 -6.9439 -7.1484 PRESSURE: 311600 28.3911 70.557 106.481 70.5569 -214.974 -76.8388 106.481 -76.8389 88.7905 GPRESSURE: 311600 38.6874 61.8173 113.105 -115.132 -198.483 -62.0944 1.04714 -62.0852 161.205 PRESSAVG: 311600 -53.2545 11.2287 -35.914 11.2288 21.6471 -24.1867 -35.914 -24.1868 -24.7148 GPRESSAVG: 311600 -53.4311 10.3126 -35.4604 10.098 22.0772 -24.104 -35.7108 -25.4918 -24.9335 TIMING: 311600 CPU: 1045.71, 0.00318364/step Wall: 1045.71, 0.00318364/step, 4.14616 hours remaining, 231.921875 MB of memory in use. ENERGY: 311600 3977.2323 20508.2787 14383.9499 268.3892 -203822.8383 2709.6150 0.0000 0.0000 51731.0785 -110244.2948 297.2992 -161975.3733 -109887.8957 298.1483 -32.5975 0.4697 761221.6853 -18.7741 -18.7625 PRESSURE: 311800 -383.074 -43.4865 179.073 -43.4865 23.8151 107.53 179.074 107.53 -219.489 GPRESSURE: 311800 -319.607 -86.0292 195.087 -108.596 42.4525 132.739 123.375 123.517 -218.024 PRESSAVG: 311800 -22.7035 -33.2959 5.9974 -33.296 31.1451 -28.7167 5.99736 -28.7167 4.85694 GPRESSAVG: 311800 -22.6621 -32.5728 5.62829 -33.6979 32.0836 -29.752 7.06056 -26.9551 4.00252 TIMING: 311800 CPU: 1046.34, 0.00318472/step Wall: 1046.34, 0.00318472/step, 4.1474 hours remaining, 231.921875 MB of memory in use. ENERGY: 311800 3981.2735 20482.7917 14438.5273 248.4535 -203622.8153 2448.6238 0.0000 0.0000 51926.4699 -110096.6756 298.4221 -162023.1455 -109736.2189 298.4632 -192.9158 -165.0596 759987.0078 4.4328 4.4747 PRESSURE: 312000 -97.649 -159.385 123.522 -159.384 -140.226 375.675 123.521 375.676 181.036 GPRESSURE: 312000 -74.8363 -77.5592 165.636 -165.431 -102.799 288.175 46.5526 318.992 189.272 PRESSAVG: 312000 -49.3112 -69.396 9.19781 -69.3959 58.1317 44.2401 9.19785 44.2401 -9.48307 GPRESSAVG: 312000 -50.5036 -69.9025 9.21103 -67.5134 59.3577 44.9077 8.73632 43.084 -9.3287 TIMING: 312000 CPU: 1046.98, 0.00317205/step Wall: 1046.98, 0.00317205/step, 4.13071 hours remaining, 231.921875 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: 312000 3979.5577 20398.4812 14466.2670 263.8844 -203472.7904 2457.5225 0.0000 0.0000 51941.6442 -109965.4334 298.5093 -161907.0775 -109590.0218 298.1107 -18.9462 3.8790 759745.5907 -0.2208 -0.1582 PRESSURE: 312200 286.217 -0.548356 -27.0983 -0.548591 26.7879 103.765 -27.0985 103.766 -96.4219 GPRESSURE: 312200 362.145 55.2823 20.7596 67.3808 56.501 110.695 103.319 160.489 -111.063 PRESSAVG: 312200 -16.7012 -37.6941 3.94687 -37.6941 46.1579 11.5779 3.94683 11.5779 -0.837078 GPRESSAVG: 312200 -15.1784 -39.0905 5.87789 -40.3169 44.3472 11.8686 2.09344 10.0996 -0.483183 TIMING: 312200 CPU: 1047.61, 0.00316257/step Wall: 1047.61, 0.00316257/step, 4.11819 hours remaining, 231.921875 MB of memory in use. ENERGY: 312200 4025.2787 20511.2754 14460.5758 264.3173 -203885.0030 2577.2762 0.0000 0.0000 52075.0138 -109971.2657 299.2758 -162046.2796 -109622.7962 298.3031 72.1945 102.5277 759199.9886 9.5399 9.5619 LDB: ============= START OF LOAD BALANCING ============== 1060.04 LDB: ============== END OF LOAD BALANCING =============== 1060.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1060.04 LDB: ============= START OF LOAD BALANCING ============== 1060.36 LDB: Largest compute 7034 load 0.035993 is 18.5% of average load 0.194974 LDB: Average compute 0.004385 is 2.2% of average load 0.194974 LDB: TIME 1060.36 LOAD: AVG 0.194974 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.719 MB LDB: TIME 1060.36 LOAD: AVG 0.194974 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.922 MB LDB: TIME 1060.36 LOAD: AVG 0.194974 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.922 MB LDB: ============== END OF LOAD BALANCING =============== 1060.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1060.37 PRESSURE: 312400 46.2107 -162.687 -323.484 -162.686 -71.7805 167.006 -323.485 167.006 103.197 GPRESSURE: 312400 103.319 -172.041 -241.521 -53.8533 -51.1026 153.261 -379.276 135.985 110.201 PRESSAVG: 312400 39.5215 -22.7945 -30.1111 -22.7945 -0.671586 -5.80402 -30.1111 -5.80396 17.1076 GPRESSAVG: 312400 38.8132 -23.7033 -32.0058 -20.827 0.276409 -5.43693 -29.5806 -3.98581 16.5409 TIMING: 312400 CPU: 1048.26, 0.00325727/step Wall: 1048.26, 0.00325727/step, 4.24132 hours remaining, 232.164062 MB of memory in use. ENERGY: 312400 4017.1453 20234.4025 14498.0646 243.0758 -203492.7132 2305.5983 0.0000 0.0000 52114.9626 -110079.4640 299.5054 -162194.4267 -109703.8690 298.4802 25.8759 54.1390 759559.3193 18.6525 18.5435 PRESSURE: 312600 258.95 -259.724 223.569 -259.724 -207.983 -233.971 223.568 -233.971 254.071 GPRESSURE: 312600 236.714 -186.866 206.696 -244.817 -76.082 -176.404 281.609 -268.843 255.121 PRESSAVG: 312600 16.9884 -13.0189 28.476 -13.0189 -9.24797 -40.9614 28.476 -40.9614 -19.1374 GPRESSAVG: 312600 16.2077 -10.4943 28.6204 -12.6606 -8.96563 -39.7381 28.6769 -41.5882 -18.8871 TIMING: 312600 CPU: 1048.9, 0.00316264/step Wall: 1048.9, 0.00316264/step, 4.11793 hours remaining, 232.363281 MB of memory in use. ENERGY: 312600 3937.8137 20445.3279 14397.6360 237.4024 -203987.9102 2886.0819 0.0000 0.0000 51899.5441 -110184.1041 298.2674 -162083.6483 -109815.0143 298.2610 101.6793 138.5844 760392.3677 -3.7990 -3.8817 PRESSURE: 312800 47.4 -144.285 -15.1302 -144.284 156.73 3.81244 -15.1294 3.81279 33.8196 GPRESSURE: 312800 82.3149 -106.117 -43.0521 -91.0322 284.681 -58.0501 7.70295 62.6448 -49.9088 PRESSAVG: 312800 -14.4787 -53.9601 -12.2731 -53.9602 34.9829 -57.8953 -12.2731 -57.8953 12.6299 GPRESSAVG: 312800 -14.8812 -54.7568 -12.3765 -55.4383 36.7544 -58.0074 -11.2809 -57.3458 11.5622 TIMING: 312800 CPU: 1049.54, 0.00322195/step Wall: 1049.54, 0.00322195/step, 4.19498 hours remaining, 232.363281 MB of memory in use. ENERGY: 312800 3965.7157 20579.4376 14461.3891 249.9292 -203573.5617 2609.9494 0.0000 0.0000 51699.6375 -110007.5031 297.1185 -161707.1406 -109654.4872 297.7761 79.3166 105.6956 761839.3698 11.0447 11.1451 PRESSURE: 313000 -332.653 -131.777 67.2762 -131.778 -58.1323 -56.4301 67.2765 -56.4289 -130.285 GPRESSURE: 313000 -214.517 -225.061 31.0887 -28.5348 -99.0119 -5.2801 -3.67016 -52.6251 -116.013 PRESSAVG: 313000 -19.6827 -44.8971 -47.9616 -44.8971 23.4429 -38.9755 -47.9616 -38.9755 9.47465 GPRESSAVG: 313000 -18.8177 -44.9101 -47.5269 -45.2694 20.891 -38.572 -48.3967 -39.6849 10.8602 TIMING: 313000 CPU: 1050.17, 0.00315222/step Wall: 1050.17, 0.00315222/step, 4.10401 hours remaining, 232.363281 MB of memory in use. ENERGY: 313000 4016.4360 20477.5000 14464.9769 238.0066 -203576.8797 2323.7113 0.0000 0.0000 52056.7654 -109999.4836 299.1709 -162056.2490 -109639.0518 298.3107 -173.6901 -143.1805 760980.6448 4.4116 4.3112 PRESSURE: 313200 84.7286 12.1062 -262.834 12.1065 -74.0724 267.182 -262.834 267.182 -51.7861 GPRESSURE: 313200 125.656 -65.8108 -65.2816 44.9758 3.68392 248.553 -230.125 271.73 -69.9092 PRESSAVG: 313200 -20.9743 -66.2759 22.9226 -66.2759 16.2888 -21.0341 22.9225 -21.0342 -2.34423 GPRESSAVG: 313200 -20.1118 -66.9976 22.6157 -64.4513 15.511 -22.0308 21.3226 -22.0456 -2.65649 TIMING: 313200 CPU: 1050.8, 0.00312518/step Wall: 1050.8, 0.00312518/step, 4.06864 hours remaining, 232.363281 MB of memory in use. ENERGY: 313200 4016.3496 20360.4411 14493.6289 235.7424 -203281.9969 2297.6226 0.0000 0.0000 51974.8155 -109903.3968 298.7000 -161878.2122 -109539.2510 298.5799 -13.7100 19.8101 760572.5410 -2.3432 -2.4191 PRESSURE: 313400 -480.099 -178.133 90.432 -178.133 67.036 -167.753 90.4324 -167.753 -359.301 GPRESSURE: 313400 -467.835 -128.956 -10.1066 -128.617 99.408 -182.866 126.895 -138.544 -323.11 PRESSAVG: 313400 -97.705 1.14159 -11.0038 1.14163 83.0255 50.6169 -11.0038 50.6169 5.38332 GPRESSAVG: 313400 -99.0717 3.16535 -11.2093 0.616666 84.0771 50.4756 -9.31299 52.5574 5.40592 TIMING: 313400 CPU: 1051.43, 0.00317143/step Wall: 1051.43, 0.00317143/step, 4.12868 hours remaining, 232.363281 MB of memory in use. ENERGY: 313400 3964.3046 20572.7280 14431.5911 264.1665 -203751.8375 2578.1604 0.0000 0.0000 52246.2771 -109694.6099 300.2601 -161940.8870 -109339.0672 298.8811 -257.4546 -230.5120 762213.1082 -3.0987 -3.1962 PRESSURE: 313600 -104.965 88.2039 -0.682972 88.2035 -385.343 141.825 -0.682641 141.825 234.438 GPRESSURE: 313600 -77.0573 39.7918 15.4641 63.3458 -337.744 8.41736 63.0064 141.338 237.029 PRESSAVG: 313600 -25.4197 43.5668 14.4497 43.5668 16.2342 8.04224 14.4498 8.04233 21.1174 GPRESSAVG: 313600 -25.2283 39.9852 15.2815 44.2506 16.7603 6.35944 13.8667 8.25941 20.1536 TIMING: 313600 CPU: 1052.06, 0.00316172/step Wall: 1052.06, 0.00316172/step, 4.11586 hours remaining, 232.363281 MB of memory in use. ENERGY: 313600 3950.9779 20558.8146 14474.0902 259.8256 -203223.5190 2417.6738 0.0000 0.0000 51655.3834 -109906.7535 296.8642 -161562.1369 -109555.2145 299.1286 -85.2900 -59.2576 761185.2101 3.9773 3.8952 PRESSURE: 313800 432.722 116.438 187.9 116.438 86.2395 -368.602 187.9 -368.602 335.982 GPRESSURE: 313800 372.124 60.9771 199.911 18.6879 134.715 -354.771 182.273 -203.451 428.296 PRESSAVG: 313800 46.6555 89.1609 84.0383 89.1609 -20.9825 -15.3514 84.0383 -15.3515 -19.9748 GPRESSAVG: 313800 47.4619 88.6132 83.6705 90.0007 -22.6677 -12.8369 84.2012 -15.6471 -18.9797 TIMING: 313800 CPU: 1052.69, 0.00316455/step Wall: 1052.69, 0.00316455/step, 4.11937 hours remaining, 232.363281 MB of memory in use. ENERGY: 313800 3905.4796 20438.6706 14439.5836 245.6247 -203780.5733 2640.9115 0.0000 0.0000 52286.6387 -109823.6646 300.4920 -162110.3033 -109456.0100 298.8869 284.9814 311.7117 758015.4750 1.8994 1.9382 PRESSURE: 314000 -206.109 25.4055 -153.461 25.4055 -254.737 -43.7364 -153.46 -43.7361 46.429 GPRESSURE: 314000 -94.1504 -60.7475 -107.64 -44.7098 -260.107 -46.013 -129.493 -60.6124 46.0175 PRESSAVG: 314000 -47.7026 22.5814 3.9818 22.5814 26.4531 -29.3372 3.98186 -29.3371 8.62051 GPRESSAVG: 314000 -48.3467 22.8745 3.47793 23.38 27.8089 -29.5749 3.59081 -29.0938 7.9288 TIMING: 314000 CPU: 1053.32, 0.0031408/step Wall: 1053.32, 0.0031408/step, 4.08828 hours remaining, 232.363281 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: 314000 3921.9896 20622.9023 14444.0529 231.6798 -203588.7398 2403.1379 0.0000 0.0000 52142.8980 -109822.0793 299.6660 -161964.9773 -109464.5506 298.7717 -138.1388 -102.7465 760244.4670 -4.2097 -4.2030 PRESSURE: 314200 -100.969 -100.919 -90.5097 -100.919 76.4005 -110.343 -90.5099 -110.342 -107.563 GPRESSURE: 314200 -68.7076 -139.466 -147.677 -63.4251 59.2336 -93.4407 18.9852 -10.893 -31.837 PRESSAVG: 314200 -55.0352 -9.76499 59.7088 -9.76502 14.0071 26.1532 59.7088 26.1532 6.16058 GPRESSAVG: 314200 -55.8382 -7.82022 59.7292 -12.0489 13.8737 24.0188 59.1844 25.8995 6.7491 TIMING: 314200 CPU: 1053.96, 0.00317251/step Wall: 1053.96, 0.00317251/step, 4.12937 hours remaining, 232.375000 MB of memory in use. ENERGY: 314200 3855.0461 20460.7143 14467.5101 241.0065 -203588.8547 2620.1345 0.0000 0.0000 52042.2414 -109902.2019 299.0875 -161944.4433 -109529.6867 298.8994 -44.0438 -13.7703 761005.2886 -11.6225 -11.7385 PRESSURE: 314400 564.032 14.3597 33.659 14.3594 639.397 72.2506 33.6591 72.2515 523.729 GPRESSURE: 314400 624.124 56.0804 76.128 117.408 647.475 -6.29987 119.775 42.8805 533.069 PRESSAVG: 314400 16.2357 -6.01202 22.604 -6.01204 -32.449 27.6309 22.6039 27.631 -23.9938 GPRESSAVG: 314400 18.0989 -8.26902 21.0572 -5.77594 -33.7852 26.8051 24.9173 29.6829 -24.1518 TIMING: 314400 CPU: 1054.59, 0.00314749/step Wall: 1054.59, 0.00314749/step, 4.09664 hours remaining, 232.375000 MB of memory in use. ENERGY: 314400 3883.6497 20620.9474 14428.9989 254.1521 -203922.3072 3119.9707 0.0000 0.0000 52031.0673 -109583.5211 299.0233 -161614.5884 -109227.4205 298.7795 575.7196 601.5559 760187.3053 -13.4023 -13.2793 PRESSURE: 314600 -196.669 -69.2226 44.6621 -69.2235 123.865 87.6174 44.6618 87.6175 195.538 GPRESSURE: 314600 -157.991 -1.33246 84.505 71.278 129.044 171.875 12.7549 81.9316 247.216 PRESSAVG: 314600 28.302 12.1487 13.417 12.1487 -6.20661 57.1584 13.417 57.1584 4.13406 GPRESSAVG: 314600 27.3981 13.1414 15.5941 12.2455 -5.43859 59.1512 10.8194 55.9917 3.61839 TIMING: 314600 CPU: 1055.22, 0.00316195/step Wall: 1055.22, 0.00316195/step, 4.11528 hours remaining, 232.375000 MB of memory in use. ENERGY: 314600 3985.3856 20549.4441 14483.9023 273.5172 -203374.3267 2548.7558 0.0000 0.0000 52019.2255 -109514.0962 298.9552 -161533.3217 -109141.5508 299.2685 40.9113 72.7564 761577.6890 8.7431 8.5260 PRESSURE: 314800 59.2825 -275.886 -92.7905 -275.886 235.01 -52.3577 -92.7901 -52.3588 410.196 GPRESSURE: 314800 104.593 -422.043 -150.463 -293.747 312.663 -77.7056 -162.795 -103.727 361.682 PRESSAVG: 314800 -32.2566 -19.1359 31.9392 -19.1359 74.2548 1.76207 31.9392 1.76208 7.5665 GPRESSAVG: 314800 -32.2638 -18.4137 31.9111 -21.2844 74.8828 1.21014 31.5488 -1.40353 7.28612 TIMING: 314800 CPU: 1055.86, 0.00318106/step Wall: 1055.86, 0.00318106/step, 4.13997 hours remaining, 232.375000 MB of memory in use. ENERGY: 314800 4004.0815 20497.4771 14469.2383 252.6529 -203685.0080 2832.7560 0.0000 0.0000 52336.0302 -109292.7721 300.7759 -161628.8023 -108927.1984 300.0962 234.8294 259.6460 761267.4044 16.5216 16.6350 PRESSURE: 315000 -248.03 -200.319 -237.76 -200.32 -221.374 -333.006 -237.76 -333.006 -189.309 GPRESSURE: 315000 -222 -184.181 -226.143 -171.278 -230.728 -282.108 -175.793 -391.564 -115.949 PRESSAVG: 315000 -60.0591 -1.86468 0.653883 -1.86465 39.9967 -15.0303 0.653885 -15.0303 -2.84448 GPRESSAVG: 315000 -59.6969 -1.30368 -0.152231 -2.47682 38.4523 -14.1791 0.669973 -16.1446 -1.91953 TIMING: 315000 CPU: 1056.49, 0.00315496/step Wall: 1056.49, 0.00315496/step, 4.10583 hours remaining, 232.375000 MB of memory in use. ENERGY: 315000 3957.6012 20479.1079 14451.0577 251.6699 -203118.5240 2228.1644 0.0000 0.0000 52296.8391 -109454.0838 300.5507 -161750.9229 -109091.4240 299.6335 -219.5710 -189.5592 763003.1725 -7.6356 -7.7214 PRESSURE: 315200 -56.7715 -93.977 -136.559 -93.9764 -101.271 23.7983 -136.559 23.7988 115.861 GPRESSURE: 315200 -57.4421 -86.908 -151.317 28.3513 -89.2192 42.8463 -222.847 21.0315 200.432 PRESSAVG: 315200 -85.6145 48.497 3.47708 48.497 58.5164 -69.0086 3.477 -69.0087 1.17371 GPRESSAVG: 315200 -85.7074 48.0789 3.36935 49.0924 58.162 -71.0076 3.16037 -65.775 1.43924 TIMING: 315200 CPU: 1057.12, 0.00314449/step Wall: 1057.12, 0.00314448/step, 4.09202 hours remaining, 232.375000 MB of memory in use. ENERGY: 315200 3941.7430 20487.3780 14440.7080 242.2246 -203088.3406 2483.8258 0.0000 0.0000 51814.1739 -109678.2874 297.7768 -161492.4612 -109321.7453 299.0116 -14.0607 17.9237 763252.9522 -8.6415 -8.7021 PRESSURE: 315400 8.51846 178.474 99.1836 178.474 -355.639 -9.74813 99.1834 -9.74737 -227.449 GPRESSURE: 315400 -5.39394 203.255 -13.486 118.306 -343.722 -31.0735 161.042 -42.5372 -138.996 PRESSAVG: 315400 -18.6328 -26.2559 18.3239 -26.256 16.2728 -10.2507 18.3239 -10.2507 15.4667 GPRESSAVG: 315400 -19.2151 -25.1506 19.4653 -24.5728 16.7408 -9.79125 17.7048 -9.88337 15.2725 TIMING: 315400 CPU: 1057.75, 0.00315188/step Wall: 1057.75, 0.00315188/step, 4.10148 hours remaining, 232.375000 MB of memory in use. ENERGY: 315400 3928.5824 20589.5751 14480.8754 223.0128 -203466.8054 2458.0710 0.0000 0.0000 52088.6658 -109698.0230 299.3543 -161786.6888 -109340.5394 299.3702 -191.5231 -162.7040 762159.2129 4.3689 4.2661 PRESSURE: 315600 -297.271 -59.1221 -73.583 -59.1215 175.494 -166.089 -73.5826 -166.089 120.876 GPRESSURE: 315600 -205.419 -124.885 -81.1217 -29.8318 169.011 -155.352 39.0074 -193.151 129.107 PRESSAVG: 315600 -26.1801 -28.7811 25.6699 -28.781 18.8826 -21.2268 25.6698 -21.2269 -11.3482 GPRESSAVG: 315600 -26.3444 -31.163 24.3785 -28.57 19.462 -19.9334 28.9117 -21.642 -12.0606 TIMING: 315600 CPU: 1058.39, 0.00319958/step Wall: 1058.39, 0.00319958/step, 4.16337 hours remaining, 232.375000 MB of memory in use. ENERGY: 315600 4011.2623 20564.9886 14525.9899 254.4908 -203359.2630 2809.8405 0.0000 0.0000 51930.9818 -109261.7090 298.4481 -161192.6909 -108907.8645 299.7302 -0.3002 30.8998 761560.7294 -6.2152 -6.3143 PRESSURE: 315800 356.348 101.819 -269.011 101.819 -128.154 24.4473 -269.011 24.4472 152.155 GPRESSURE: 315800 393.232 63.1109 -265.434 -37.758 -93.8051 74.3797 -219.957 -80.7211 164.414 PRESSAVG: 315800 4.31548 11.7251 48.9142 11.7251 22.0978 -20.9724 48.9141 -20.9725 -37.4494 GPRESSAVG: 315800 4.84118 12.4108 49.1083 10.7733 21.408 -21.1699 47.5126 -21.5309 -37.3 TIMING: 315800 CPU: 1059.02, 0.00317901/step Wall: 1059.02, 0.00317901/step, 4.13642 hours remaining, 232.375000 MB of memory in use. ENERGY: 315800 3947.9223 20291.5557 14501.7561 249.5472 -203305.6504 2807.2188 0.0000 0.0000 52257.9308 -109249.7194 300.3270 -161507.6503 -108877.9908 299.4123 126.7829 154.6137 763288.4768 -3.6787 -3.6836 PRESSURE: 316000 -106.42 -60.0471 103.874 -60.0468 -159.316 -228.425 103.875 -228.426 79.5354 GPRESSURE: 316000 -27.8776 -56.4714 176.564 -155.856 -156.369 -270.24 103.623 -161.626 82.0597 PRESSAVG: 316000 -8.3972 2.50692 -25.1331 2.50694 -28.0867 -3.72175 -25.133 -3.72179 35.2347 GPRESSAVG: 316000 -7.86683 2.824 -23.7369 2.69723 -28.3382 -3.70777 -25.5857 -2.47561 34.7233 TIMING: 316000 CPU: 1059.66, 0.00319604/step Wall: 1059.66, 0.00319604/step, 4.1584 hours remaining, 232.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 316000 3938.6094 20463.7748 14459.0680 267.2677 -203031.9552 2523.8159 0.0000 0.0000 52167.1502 -109212.2693 299.8053 -161379.4195 -108855.0947 299.7348 -62.0669 -34.0622 761965.0305 -0.4164 -0.4939 PRESSURE: 316200 14.7303 -84.9657 166.223 -84.9663 -215.85 151.362 166.223 151.362 -2.78622 GPRESSURE: 316200 -11.2615 -32.999 145.326 -97.9602 -158.629 138.42 -19.8963 76.6887 37.1921 PRESSAVG: 316200 -5.48425 -42.2706 20.6794 -42.2705 -34.9255 -23.0478 20.6795 -23.0479 -38.3798 GPRESSAVG: 316200 -5.58189 -40.3492 20.6599 -41.2207 -34.7308 -23.3739 18.8377 -24.532 -37.8955 TIMING: 316200 CPU: 1060.29, 0.00316835/step Wall: 1060.29, 0.00316835/step, 4.1222 hours remaining, 232.375000 MB of memory in use. ENERGY: 316200 3983.1657 20440.9228 14511.4863 236.4194 -203216.2616 2538.1586 0.0000 0.0000 52002.9207 -109503.1882 298.8615 -161506.1088 -109143.9395 299.8970 -67.9688 -44.2327 761767.3339 -26.2632 -26.0694 LDB: ============= START OF LOAD BALANCING ============== 1072.75 LDB: ============== END OF LOAD BALANCING =============== 1072.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1072.75 LDB: ============= START OF LOAD BALANCING ============== 1073.06 LDB: Largest compute 7034 load 0.036324 is 18.6% of average load 0.195014 LDB: Average compute 0.004424 is 2.3% of average load 0.195014 LDB: TIME 1073.07 LOAD: AVG 0.195014 MAX 0.212424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.645 MB LDB: TIME 1073.07 LOAD: AVG 0.195014 MAX 0.212424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: TIME 1073.07 LOAD: AVG 0.195014 MAX 0.212424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: ============== END OF LOAD BALANCING =============== 1073.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1073.07 PRESSURE: 316400 -7.01339 -95.5082 -108.852 -95.5083 39.0773 -207.737 -108.851 -207.736 -54.4435 GPRESSURE: 316400 -34.7726 -132.276 -96.2293 -114.164 117.443 -201.149 71.8881 -168.455 1.3471 PRESSAVG: 316400 -8.43482 -30.7278 32.9311 -30.7278 -26.1555 28.6676 32.9311 28.6675 20.6318 GPRESSAVG: 316400 -9.4472 -32.62 31.7792 -29.2202 -25.3941 30.2069 37.5381 27.4666 20.639 TIMING: 316400 CPU: 1060.97, 0.00337136/step Wall: 1060.97, 0.00337136/step, 4.38614 hours remaining, 230.609375 MB of memory in use. ENERGY: 316400 3945.1553 20425.0559 14433.0248 232.6159 -203135.9721 2455.6204 0.0000 0.0000 52051.2682 -109593.2315 299.1394 -161644.4997 -109226.2904 299.4221 -7.4599 28.0057 762041.8677 -4.6528 -4.7341 PRESSURE: 316600 224.62 -210.08 42.2393 -210.08 175.294 -95.171 42.2385 -95.1705 -63.7748 GPRESSURE: 316600 376.773 -163.705 126.967 -240.454 98.4791 -218.384 -27.8838 -125.261 -61.5977 PRESSAVG: 316600 -4.09272 -14.0718 30.3991 -14.0718 53.7707 64.3219 30.399 64.3218 -3.32948 GPRESSAVG: 316600 -3.54418 -13.609 31.9135 -17.1975 53.2342 61.3502 27.4572 66.278 -3.38846 TIMING: 316600 CPU: 1061.61, 0.00319137/step Wall: 1061.61, 0.00319137/step, 4.1518 hours remaining, 230.679688 MB of memory in use. ENERGY: 316600 3912.7754 20361.7144 14406.5324 259.4020 -203291.5897 2386.3200 0.0000 0.0000 52139.8081 -109825.0373 299.6482 -161964.8454 -109461.4590 299.6108 112.0466 137.8847 760872.5749 15.4495 15.4339 PRESSURE: 316800 93.6641 135.891 246.018 135.891 53.791 -316.403 246.018 -316.403 -206.701 GPRESSURE: 316800 236.108 102.242 175.227 142.748 27.6652 -279.196 223.279 -260.707 -219.657 PRESSAVG: 316800 1.96824 -45.7624 16.2526 -45.7624 -23.3862 -8.01933 16.2526 -8.01939 5.40644 GPRESSAVG: 316800 2.93675 -47.4952 14.7267 -45.1894 -23.7057 -5.90496 17.9135 -7.718 5.18746 TIMING: 316800 CPU: 1062.24, 0.00318855/step Wall: 1062.24, 0.00318855/step, 4.14794 hours remaining, 230.679688 MB of memory in use. ENERGY: 316800 3960.1010 20431.2229 14452.3448 252.0179 -203144.9799 2208.7857 0.0000 0.0000 52036.4501 -109804.0575 299.0542 -161840.5076 -109441.7495 299.0624 -19.7486 14.7056 761222.6590 -5.3372 -5.1938 PRESSURE: 317000 -219.087 -188.844 36.3545 -188.843 -442.511 -38.6338 36.3552 -38.6345 -193.053 GPRESSURE: 317000 -218.039 -121.49 -24.5857 -278.312 -337.371 -71.0968 33.7529 -72.8714 -215.482 PRESSAVG: 317000 -4.65215 -80.8166 -37.8113 -80.8166 -9.5395 -31.4171 -37.8113 -31.417 2.02473 GPRESSAVG: 317000 -7.16172 -79.6526 -37.7385 -80.9281 -7.58963 -33.067 -38.2343 -32.0984 2.34745 TIMING: 317000 CPU: 1062.88, 0.00318013/step Wall: 1062.88, 0.00318013/step, 4.13682 hours remaining, 230.679688 MB of memory in use. ENERGY: 317000 4002.3531 20472.9176 14402.1638 234.1369 -203279.7734 2364.7686 0.0000 0.0000 51958.4773 -109844.9560 298.6061 -161803.4334 -109480.9630 298.8886 -284.8835 -256.9642 762927.2388 -4.0556 -4.1346 PRESSURE: 317200 -343.032 -105.651 61.6273 -105.651 -39.7551 53.3094 61.6273 53.3092 78.2074 GPRESSURE: 317200 -181.763 -66.5271 66.5528 -121.796 -53.9914 78.0495 -91.2323 220.392 32.0701 PRESSAVG: 317200 27.7911 -20.6047 -30.4556 -20.6047 -24.0656 -13.0323 -30.4556 -13.0323 26.4905 GPRESSAVG: 317200 28.7151 -20.4596 -30.3346 -20.6787 -25.0136 -12.5758 -31.6743 -11.3336 26.9818 TIMING: 317200 CPU: 1063.52, 0.0031775/step Wall: 1063.52, 0.0031775/step, 4.13322 hours remaining, 230.691406 MB of memory in use. ENERGY: 317200 3942.8572 20423.8936 14417.2112 229.4142 -203181.9403 2391.5150 0.0000 0.0000 51985.4273 -109791.6219 298.7610 -161777.0492 -109427.3882 299.1812 -101.5267 -67.8949 763101.9311 10.0720 10.2277 PRESSURE: 317400 265.207 -75.877 207.938 -75.8778 351.618 324.588 207.938 324.587 7.29412 GPRESSURE: 317400 249.486 -63.8451 204.088 -142.124 410.036 356.89 343.736 256.874 42.8825 PRESSAVG: 317400 17.5855 -38.611 7.02497 -38.611 38.7478 39.1456 7.02504 39.1455 5.51749 GPRESSAVG: 317400 17.3822 -41.9631 7.34266 -36.7988 38.0286 39.978 8.59618 38.2066 6.06002 TIMING: 317400 CPU: 1064.15, 0.00317968/step Wall: 1064.15, 0.00317968/step, 4.13588 hours remaining, 230.691406 MB of memory in use. ENERGY: 317400 3907.7111 20530.2426 14401.3089 238.8036 -203093.8571 2399.8034 0.0000 0.0000 52022.1322 -109593.8553 298.9719 -161615.9875 -109230.2903 298.9051 208.0397 234.1347 760031.8301 20.6169 20.4903 PRESSURE: 317600 -85.0466 63.0825 37.4725 63.0825 -158.287 101.274 37.4721 101.271 -220.808 GPRESSURE: 317600 -37.8253 -6.55813 49.4032 134.418 -112.683 41.2475 49.24 123.921 -199.155 PRESSAVG: 317600 -20.7982 -38.8732 18.4053 -38.8732 36.0349 34.0151 18.4053 34.0152 -31.9133 GPRESSAVG: 317600 -19.5794 -36.4382 20.1004 -39.458 36.3679 33.3725 19.5268 34.7382 -33.1677 TIMING: 317600 CPU: 1064.79, 0.00318383/step Wall: 1064.79, 0.00318383/step, 4.1411 hours remaining, 230.691406 MB of memory in use. ENERGY: 317600 3882.9742 20480.9447 14485.8411 251.4210 -203112.1712 2245.4528 0.0000 0.0000 51969.1550 -109796.3824 298.6674 -161765.5374 -109442.7345 298.9789 -154.7139 -116.5544 760575.8260 -5.5589 -5.4597 PRESSURE: 317800 112.401 -49.2975 167.804 -49.2984 156.942 -42.811 167.803 -42.8103 236.936 GPRESSURE: 317800 271.904 18.1192 98.3759 -57.2836 27.5748 -48.0988 106.445 -82.2908 291.696 PRESSAVG: 317800 16.3583 -17.1609 -15.3807 -17.161 12.162 17.7798 -15.3808 17.7799 -3.56476 GPRESSAVG: 317800 16.6238 -16.9073 -17.2964 -17.2229 12.2309 18.1587 -16.0727 17.6797 -3.61647 TIMING: 317800 CPU: 1065.43, 0.00319517/step Wall: 1065.43, 0.00319517/step, 4.15567 hours remaining, 230.691406 MB of memory in use. ENERGY: 317800 3988.1146 20462.2695 14422.1480 262.0099 -203261.3386 2414.8924 0.0000 0.0000 52006.4408 -109705.4633 298.8817 -161711.9041 -109354.2178 298.5854 168.7593 197.0581 757926.8823 8.3185 8.4127 PRESSURE: 318000 -9.71296 61.7388 -181.034 61.7402 63.0554 -347.917 -181.034 -347.916 276.715 GPRESSURE: 318000 109.881 12.3455 -206.49 59.2101 50.9533 -344.55 -137.432 -212.001 253.61 PRESSAVG: 318000 -2.34164 -15.0865 -36.1048 -15.0865 -57.9085 -45.6207 -36.1048 -45.6206 -12.6232 GPRESSAVG: 318000 -2.77806 -15.1334 -33.2927 -14.7582 -57.2099 -45.5214 -38.7482 -45.8551 -12.6826 TIMING: 318000 CPU: 1066.07, 0.00318841/step Wall: 1066.07, 0.00318841/step, 4.14671 hours remaining, 230.691406 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: 318000 3972.4427 20415.4873 14463.3056 237.9357 -203254.8236 2432.1645 0.0000 0.0000 51720.3465 -110013.1413 297.2375 -161733.4878 -109662.0514 298.9761 110.0190 138.1481 760022.3733 -24.2911 -24.2235 PRESSURE: 318200 79.5818 252.458 101.556 252.459 63.4034 -56.6204 101.555 -56.6208 77.8935 GPRESSURE: 318200 98.2652 316.009 152.582 138.719 87.4919 4.79309 146.28 -117.633 92.6989 PRESSAVG: 318200 -4.578 -13.0667 -17.5539 -13.0667 8.84094 -40.1283 -17.5539 -40.1282 -2.92431 GPRESSAVG: 318200 -5.30432 -14.0736 -20.1017 -13.2281 8.72789 -39.0833 -15.5218 -41.5457 -2.44572 TIMING: 318200 CPU: 1066.73, 0.00334125/step Wall: 1066.73, 0.00334125/step, 4.34529 hours remaining, 230.691406 MB of memory in use. ENERGY: 318200 3866.0461 20500.2381 14419.6795 240.8150 -203512.3098 2469.1070 0.0000 0.0000 52111.4450 -109904.9792 299.4852 -162016.4241 -109526.3914 298.4044 73.6263 92.8187 759465.3333 0.4462 0.3260 PRESSURE: 318400 -204.306 191.83 99.3819 191.829 -384.332 -49.0136 99.3815 -49.0127 27.5937 GPRESSURE: 318400 -193.765 153.878 113.005 69.9282 -373.227 -35.2994 69.9466 -158.961 93.5423 PRESSAVG: 318400 -24.4606 -48.6803 26.9809 -48.6803 37.0002 -64.5378 26.9809 -64.5378 19.0316 GPRESSAVG: 318400 -22.9031 -48.0776 28.181 -47.5962 35.6571 -66.6079 24.0007 -63.8385 18.6834 TIMING: 318400 CPU: 1067.37, 0.0031723/step Wall: 1067.37, 0.0031723/step, 4.1254 hours remaining, 230.691406 MB of memory in use. ENERGY: 318400 3915.4742 20617.7081 14480.4628 241.4489 -203624.3709 2348.1053 0.0000 0.0000 51930.1857 -110090.9859 298.4435 -162021.1717 -109727.9186 298.3034 -187.0149 -157.8168 759827.8154 10.5237 10.4791 PRESSURE: 318600 54.6054 -162.047 141.598 -162.047 -361.027 -165.171 141.599 -165.172 -238.285 GPRESSURE: 318600 136.952 -151.347 145.053 -211.909 -303.229 -137.591 43.6054 -71.1237 -291.485 PRESSAVG: 318600 5.70109 -19.2194 17.1798 -19.2194 0.768285 -18.5075 17.1797 -18.5075 -4.87265 GPRESSAVG: 318600 5.0966 -19.6139 16.3155 -21.0268 1.84336 -17.4437 19.4403 -17.5852 -5.14904 TIMING: 318600 CPU: 1068, 0.00313952/step Wall: 1068, 0.00313952/step, 4.08259 hours remaining, 230.691406 MB of memory in use. ENERGY: 318600 3933.2658 20342.6453 14517.2695 246.2210 -203423.5901 2567.1280 0.0000 0.0000 51887.9475 -109929.1130 298.2007 -161817.0606 -109565.5094 298.5300 -181.5689 -152.5874 761714.5072 0.5322 0.5970 PRESSURE: 318800 2.11922 -51.3376 174.615 -51.3368 399.426 53.7457 174.615 53.7468 -152.51 GPRESSURE: 318800 77.7079 -73.7993 197.296 -2.80677 419.627 65.435 144.937 -44.3023 -156.889 PRESSAVG: 318800 14.5566 -35.7286 -13.5688 -35.7286 -27.2211 -7.30333 -13.5687 -7.30333 -14.173 GPRESSAVG: 318800 13.8262 -35.1992 -13.6862 -35.5288 -26.1523 -5.98092 -13.9352 -8.61103 -14.84 TIMING: 318800 CPU: 1068.62, 0.00314069/step Wall: 1068.62, 0.00314069/step, 4.08395 hours remaining, 230.691406 MB of memory in use. ENERGY: 318800 3941.7657 20381.2534 14462.9010 251.8954 -203780.2735 2702.5402 0.0000 0.0000 52072.1476 -109967.7702 299.2593 -162039.9177 -109625.6488 298.8582 83.0118 113.4820 759377.5703 -8.9458 -9.0554 PRESSURE: 319000 -447.867 53.4968 107.76 53.4972 61.5785 27.7638 107.76 27.7644 -224.609 GPRESSURE: 319000 -340.773 24.1265 138.871 -46.3571 51.8134 5.17041 -20.8102 152.03 -244.051 PRESSAVG: 319000 1.09761 -19.8419 -60.687 -19.8419 -37.6631 22.5964 -60.6869 22.5965 14.5614 GPRESSAVG: 319000 1.46588 -20.1815 -60.2568 -18.4548 -39.2106 21.9851 -59.72 23.0888 15.9867 TIMING: 319000 CPU: 1069.26, 0.00317833/step Wall: 1069.26, 0.00317833/step, 4.13271 hours remaining, 230.691406 MB of memory in use. ENERGY: 319000 3979.8841 20495.2127 14466.0537 243.3293 -203462.0364 2340.8043 0.0000 0.0000 51928.9371 -110007.8153 298.4363 -161936.7523 -109645.5751 298.9745 -203.6324 -177.6699 760825.2070 -7.3347 -7.2527 PRESSURE: 319200 155.203 75.7228 -25.5778 75.7232 -207.441 2.04791 -25.5781 2.04724 -269.206 GPRESSURE: 319200 210.883 60.8866 -46.0775 -108.916 -114.634 -31.4179 -119.57 21.9889 -317.569 PRESSAVG: 319200 31.9944 -0.876211 12.383 -0.876257 -32.0833 23.5903 12.3831 23.5902 -9.35826 GPRESSAVG: 319200 31.239 -1.06191 12.9389 -0.186715 -32.2474 22.0912 12.2642 23.705 -8.66237 TIMING: 319200 CPU: 1069.89, 0.00314413/step Wall: 1069.89, 0.00314413/step, 4.08806 hours remaining, 230.691406 MB of memory in use. ENERGY: 319200 3978.0063 20592.8685 14472.7601 226.3759 -203470.4160 2394.6795 0.0000 0.0000 51910.2390 -109895.4866 298.3289 -161805.7257 -109535.1386 298.4525 -107.1482 -73.7736 761331.6860 -3.1491 -3.2236 PRESSURE: 319400 69.8772 -38.6568 191.383 -38.6569 -31.8683 42.0247 191.382 42.024 -42.5588 GPRESSURE: 319400 56.8059 -53.87 300.074 14.9483 39.4403 139.002 99.7206 25.9332 -14.7055 PRESSAVG: 319400 2.83085 -11.4232 40.3622 -11.4232 2.33885 45.9988 40.3622 45.9988 12.8534 GPRESSAVG: 319400 3.43347 -10.7229 40.5012 -12.0744 3.02668 47.1821 39.7195 46.4427 11.7369 TIMING: 319400 CPU: 1070.52, 0.00315678/step Wall: 1070.52, 0.00315678/step, 4.10434 hours remaining, 230.691406 MB of memory in use. ENERGY: 319400 4006.7069 20591.6934 14463.8429 254.8506 -203820.1873 2633.7170 0.0000 0.0000 51948.3116 -109921.0650 298.5477 -161869.3766 -109552.8815 299.0151 -1.5166 27.1802 760875.0987 6.0077 6.0657 PRESSURE: 319600 -253.721 30.0443 -159.976 30.0453 -443.634 -50.9184 -159.975 -50.9182 132.164 GPRESSURE: 319600 -282.134 -92.8677 -167.618 54.0936 -352.737 -28.2779 -63.5723 -25.0372 159.093 PRESSAVG: 319600 39.7521 -0.995479 -0.573499 -0.995509 -28.9911 18.3083 -0.573506 18.3083 6.93316 GPRESSAVG: 319600 37.4948 -0.469966 -1.46651 -1.8536 -28.4578 17.0534 -0.668508 18.8534 8.58702 TIMING: 319600 CPU: 1071.15, 0.0031642/step Wall: 1071.15, 0.0031642/step, 4.11382 hours remaining, 230.691406 MB of memory in use. ENERGY: 319600 3995.7836 20508.1568 14473.6190 246.3012 -203609.7567 2453.0984 0.0000 0.0000 52076.5489 -109856.2489 299.2846 -161932.7977 -109494.7921 298.9083 -188.3972 -158.5922 762468.9793 5.8980 5.8747 PRESSURE: 319800 165.416 87.3987 -244.456 87.3989 410.391 -139.696 -244.456 -139.696 763.472 GPRESSURE: 319800 268.271 93.1092 -237.173 66.4371 297.965 -111.683 -163.71 -208.248 859.203 PRESSAVG: 319800 49.5856 -58.7859 -23.8022 -58.7859 -55.6718 5.83236 -23.8023 5.83234 8.06543 GPRESSAVG: 319800 51.9731 -59.2782 -23.1384 -58.7749 -57.0713 6.86459 -24.6786 4.64147 6.99793 TIMING: 319800 CPU: 1071.79, 0.00316151/step Wall: 1071.79, 0.00316151/step, 4.11013 hours remaining, 230.691406 MB of memory in use. ENERGY: 319800 3978.8694 20644.3883 14498.8448 234.9610 -204014.5925 2830.5514 0.0000 0.0000 52147.9047 -109679.0728 299.6947 -161826.9776 -109315.6927 298.6507 446.4265 475.1463 760347.1289 0.6597 0.6332 PRESSURE: 320000 60.6007 -120.855 69.1837 -120.856 -89.0844 -59.7463 69.1829 -59.746 -274.18 GPRESSURE: 320000 135.502 -55.9094 -2.03503 -154.534 -82.038 -39.1938 79.7666 -5.1402 -273.281 PRESSAVG: 320000 -24.3509 22.3371 20.8221 22.3371 -15.8914 -6.88694 20.8221 -6.88692 -10.4019 GPRESSAVG: 320000 -25.1957 23.2331 19.6651 22.0815 -14.9367 -7.55673 22.82 -6.76208 -10.5098 TIMING: 320000 CPU: 1072.42, 0.00319335/step Wall: 1072.42, 0.00319335/step, 4.15136 hours remaining, 230.691406 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: 320000 3962.6307 20317.8395 14593.1799 247.3422 -203360.0412 2318.4921 0.0000 0.0000 52241.6181 -109678.9389 300.2333 -161920.5569 -109314.7176 299.1141 -100.8879 -73.2723 760611.6387 -16.8814 -16.8807 PRESSURE: 320200 -15.5876 111.83 214.092 111.831 -340.87 -187.253 214.093 -187.252 101.328 GPRESSURE: 320200 -17.6358 32.6642 160.411 91.0042 -271.312 -181.487 247.344 -102.444 138.463 PRESSAVG: 320200 31.8436 -38.585 48.2205 -38.5851 -2.22801 -15.5726 48.2205 -15.5725 -17.1813 GPRESSAVG: 320200 32.4299 -39.9372 49.5226 -39.1978 -2.1646 -16.3108 46.4514 -14.9593 -18.0966 TIMING: 320200 CPU: 1073.05, 0.00315114/step Wall: 1073.05, 0.00315114/step, 4.09631 hours remaining, 230.691406 MB of memory in use. ENERGY: 320200 3987.2107 20621.1939 14536.4740 250.3356 -203264.1581 2495.0497 0.0000 0.0000 51909.8125 -109464.0817 298.3264 -161373.8942 -109110.6643 299.3000 -85.0433 -50.1615 761001.4934 4.1448 4.0562 LDB: ============= START OF LOAD BALANCING ============== 1085.48 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1085.48 LDB: =============== DONE WITH MIGRATION ================ 1085.48 LDB: ============= START OF LOAD BALANCING ============== 1085.8 LDB: Largest compute 7074 load 0.035810 is 18.4% of average load 0.194994 LDB: Average compute 0.004439 is 2.3% of average load 0.194994 LDB: TIME 1085.8 LOAD: AVG 0.194994 MAX 0.212524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.133 MB LDB: TIME 1085.81 LOAD: AVG 0.194994 MAX 0.212524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.297 MB LDB: TIME 1085.81 LOAD: AVG 0.194994 MAX 0.212524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.297 MB LDB: ============== END OF LOAD BALANCING =============== 1085.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1085.81 PRESSURE: 320400 34.0461 1.50594 214.723 1.50536 172.399 5.11037 214.723 5.11043 95.8665 GPRESSURE: 320400 30.9032 -42.3972 217.003 -94.988 177.635 -20.4921 122.687 -59.2651 167.922 PRESSAVG: 320400 -2.5311 -7.14938 -17.4744 -7.14939 -8.10031 -12.5889 -17.4743 -12.5889 15.6955 GPRESSAVG: 320400 -3.32741 -7.40194 -18.5732 -8.11032 -8.33939 -12.3709 -16.4487 -12.9802 16.6998 TIMING: 320400 CPU: 1073.71, 0.00325952/step Wall: 1073.71, 0.00325952/step, 4.23701 hours remaining, 231.132812 MB of memory in use. ENERGY: 320400 4011.6065 20456.3838 14491.6072 252.0614 -203521.7822 2749.7758 0.0000 0.0000 52176.7709 -109383.5766 299.8606 -161560.3475 -109022.7423 299.5860 100.7706 125.4867 763444.0251 1.6880 1.6777 PRESSURE: 320600 220.049 22.7934 9.74941 22.7933 26.8029 135.88 9.7497 135.88 -201.304 GPRESSURE: 320600 232.969 -17.669 4.62426 44.679 11.27 160.659 179.852 106.146 -126.196 PRESSAVG: 320600 32.7307 -19.3974 -19.356 -19.3974 -46.644 54.1033 -19.3559 54.1033 -8.00017 GPRESSAVG: 320600 32.702 -19.3971 -18.2829 -18.6417 -46.9877 53.0039 -19.8059 54.918 -8.16085 TIMING: 320600 CPU: 1074.34, 0.00316844/step Wall: 1074.34, 0.00316844/step, 4.11844 hours remaining, 231.132812 MB of memory in use. ENERGY: 320600 3982.0396 20522.6297 14485.1108 217.1333 -203567.3455 2547.7430 0.0000 0.0000 52208.1754 -109604.5138 300.0411 -161812.6892 -109246.6329 299.4671 15.1827 39.3478 761680.9972 -7.3045 -7.4822 PRESSURE: 320800 151.227 -31.1586 -36.7553 -31.1582 -83.1758 -140.757 -36.7551 -140.759 -97.5849 GPRESSURE: 320800 160.92 -3.22241 35.1207 -16.6016 -22.6456 -124.547 -105.124 -121.878 -71.996 PRESSAVG: 320800 1.46351 -19.2204 23.672 -19.2205 18.1694 -26.0314 23.672 -26.0315 -8.13612 GPRESSAVG: 320800 3.04071 -18.0605 24.5309 -17.2822 18.2974 -25.0615 22.8495 -27.9994 -9.37184 TIMING: 320800 CPU: 1074.97, 0.00315083/step Wall: 1074.97, 0.00315083/step, 4.09537 hours remaining, 231.132812 MB of memory in use. ENERGY: 320800 4036.3935 20386.2059 14554.6896 250.9438 -203382.0411 2341.4321 0.0000 0.0000 51872.4349 -109939.9414 298.1116 -161812.3763 -109579.3900 298.9005 -9.8446 22.0930 761572.2723 3.8323 3.9888 PRESSURE: 321000 -191.259 -272.715 -70.2632 -272.716 36.3896 29.1317 -70.2631 29.1316 -180.229 GPRESSURE: 321000 -132.993 -250.094 -24.85 -286.432 99.9381 4.26875 -106.73 -0.223518 -220.14 PRESSAVG: 321000 15.2319 -31.9129 10.5545 -31.913 -34.6306 30.0015 10.5545 30.0014 -1.32967 GPRESSAVG: 321000 14.3021 -33.6898 10.646 -33.0049 -35.4591 30.2732 10.2381 30.6412 0.658948 TIMING: 321000 CPU: 1075.6, 0.00316895/step Wall: 1075.6, 0.00316895/step, 4.11875 hours remaining, 231.132812 MB of memory in use. ENERGY: 321000 3925.6878 20440.6542 14481.8959 245.7199 -203336.0127 2212.7644 0.0000 0.0000 52052.2917 -109976.9988 299.1452 -162029.2905 -109619.0506 298.3945 -111.6995 -84.3983 759933.6222 -6.9095 -6.8327 PRESSURE: 321200 -472.389 -70.7769 141.941 -70.7777 -145.448 -146.581 141.942 -146.581 70.4446 GPRESSURE: 321200 -404.584 -121.683 164.774 -89.9586 -193.096 -102.508 271.041 -93.8534 140.951 PRESSAVG: 321200 -52.1175 -46.0165 8.43852 -46.0166 41.8954 -10.168 8.43849 -10.168 -13.5112 GPRESSAVG: 321200 -51.8262 -43.5434 7.63146 -46.4087 42.168 -10.0258 10.235 -9.48982 -14.6638 TIMING: 321200 CPU: 1076.23, 0.00314615/step Wall: 1076.23, 0.00314615/step, 4.08895 hours remaining, 231.132812 MB of memory in use. ENERGY: 321200 3991.3069 20348.1478 14479.1063 234.2702 -203508.9067 2254.5241 0.0000 0.0000 52111.1476 -110090.4039 299.4835 -162201.5515 -109730.6842 298.8688 -182.4642 -152.2431 762094.9272 -7.9111 -8.1073 PRESSURE: 321400 -9.70551 41.6813 2.0136 41.6808 -188.008 31.7761 2.01351 31.7774 -448.292 GPRESSURE: 321400 -13.0273 122.069 19.8924 -42.2094 -108.826 71.7368 35.5338 1.35147 -437.065 PRESSAVG: 321400 -24.393 -20.3687 -40.7484 -20.3688 -19.1646 -2.01186 -40.7484 -2.01188 -23.2293 GPRESSAVG: 321400 -22.8371 -22.7234 -40.6877 -19.4881 -20.4989 -2.75527 -40.292 -1.51514 -23.3516 TIMING: 321400 CPU: 1076.86, 0.00314294/step Wall: 1076.86, 0.00314294/step, 4.0846 hours remaining, 231.335938 MB of memory in use. ENERGY: 321400 3973.6604 20394.8401 14403.8297 238.9233 -203434.6575 2441.9763 0.0000 0.0000 51980.8282 -110000.5994 298.7345 -161981.4276 -109641.4250 298.3440 -215.3351 -186.3061 761193.7068 -22.2623 -22.2292 PRESSURE: 321600 -411.291 28.6775 104.103 28.6775 296.241 1.41128 104.103 1.41198 -11.3161 GPRESSURE: 321600 -221.475 103.462 178.03 15.5567 265.539 -52.2626 198.113 -147.582 -80.8603 PRESSAVG: 321600 15.0057 -35.0272 28.8958 -35.0274 13.9981 -32.5086 28.8958 -32.5086 -0.218724 GPRESSAVG: 321600 14.0526 -33.4188 29.8332 -35.3147 15.6677 -31.523 28.9553 -34.3582 -1.01343 TIMING: 321600 CPU: 1077.49, 0.00312555/step Wall: 1077.49, 0.00312555/step, 4.06183 hours remaining, 231.539062 MB of memory in use. ENERGY: 321600 3993.4770 20376.9638 14419.4025 232.3262 -203976.2501 2813.3381 0.0000 0.0000 52255.1668 -109885.5756 300.3112 -162140.7425 -109513.0391 298.8352 -42.1219 -12.2655 760503.1815 9.5950 9.5690 PRESSURE: 321800 -424.075 -264.237 -117.023 -264.237 -285.344 48.3834 -117.024 48.3838 -721.114 GPRESSURE: 321800 -453.461 -134.932 -218.53 -213.101 -217.536 107.147 -66.4766 62.1068 -667.423 PRESSAVG: 321800 -5.05186 -24.4307 20.7418 -24.4308 -15.8956 -13.0853 20.7418 -13.0853 -3.02215 GPRESSAVG: 321800 -7.39584 -23.0064 18.7876 -22.581 -15.3605 -13.2977 20.8388 -13.3844 -2.01352 TIMING: 321800 CPU: 1078.11, 0.00313396/step Wall: 1078.11, 0.00313396/step, 4.07258 hours remaining, 231.539062 MB of memory in use. ENERGY: 321800 4102.5943 20526.6420 14356.8885 246.5437 -203286.3308 2364.9585 0.0000 0.0000 52102.4316 -109586.2723 299.4334 -161688.7038 -109229.4540 299.4689 -476.8441 -446.1403 760732.9135 -7.9899 -8.2566 PRESSURE: 322000 3.78575 -58.6321 234.439 -58.6325 -51.8441 -55.4146 234.439 -55.4139 320.995 GPRESSURE: 322000 132.658 -27.2816 202.527 -134.16 -36.2386 -80.8732 184.243 -96.0607 258.881 PRESSAVG: 322000 -22.3832 8.14928 23.4031 8.14926 14.758 0.849531 23.4031 0.849512 -3.26052 GPRESSAVG: 322000 -20.7493 5.94563 23.2202 6.75931 13.5804 0.788024 21.1424 2.37241 -3.51416 TIMING: 322000 CPU: 1078.74, 0.00312811/step Wall: 1078.74, 0.00312811/step, 4.06481 hours remaining, 231.539062 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: 322000 4008.6495 20436.3942 14458.8206 247.9843 -203615.6070 2648.5116 0.0000 0.0000 52077.5736 -109737.6733 299.2905 -161815.2469 -109374.4682 299.1701 90.9790 118.4334 759833.4413 -3.6286 -3.5610 PRESSURE: 322200 -208.973 23.1689 54.3118 23.1689 -313.192 71.4756 54.3114 71.477 -110.527 GPRESSURE: 322200 -111.901 -21.5239 9.45951 130.543 -309.36 113.279 75.7382 -91.3145 -139.026 PRESSAVG: 322200 -9.81281 8.80603 45.3211 8.80601 0.967263 -10.778 45.3211 -10.778 2.92083 GPRESSAVG: 322200 -10.7319 9.37129 46.5077 8.89876 1.16673 -11.3161 46.5907 -10.9623 3.29418 TIMING: 322200 CPU: 1079.37, 0.00314714/step Wall: 1079.37, 0.00314714/step, 4.08936 hours remaining, 231.539062 MB of memory in use. ENERGY: 322200 3988.5077 20558.4378 14530.7376 250.6288 -203064.3232 2255.8012 0.0000 0.0000 51938.5155 -109541.6946 298.4914 -161480.2101 -109176.5999 298.5046 -210.8971 -186.7622 761483.8062 -1.9749 -2.0903 PRESSURE: 322400 163.148 246.616 -41.2231 246.615 158.151 55.3758 -41.2223 55.3748 100.648 GPRESSURE: 322400 161.546 260.735 -77.8342 126.727 203.912 -0.303624 -0.568055 85.054 137.373 PRESSAVG: 322400 -56.4651 16.7791 30.3404 16.7792 10.2946 19.8856 30.3404 19.8856 14.9516 GPRESSAVG: 322400 -55.0705 18.6888 31.3444 17.8365 9.66909 19.7084 30.1526 18.4403 14.552 TIMING: 322400 CPU: 1080, 0.00314419/step Wall: 1080, 0.00314419/step, 4.08534 hours remaining, 231.539062 MB of memory in use. ENERGY: 322400 3963.2753 20682.0671 14425.3455 235.4056 -203539.0712 2726.5323 0.0000 0.0000 51931.5574 -109574.8881 298.4514 -161506.4454 -109217.8878 299.0163 140.6490 167.6104 761442.9887 -10.4063 -10.2832 PRESSURE: 322600 -137.083 152.704 96.7473 152.704 -257.154 -108.619 96.748 -108.62 -194.195 GPRESSURE: 322600 -94.902 -7.75055 75.7316 189.548 -186.358 -126.66 201.319 -83.1273 -215.856 PRESSAVG: 322600 -11.583 13.6302 -7.0353 13.6302 30.25 76.2146 -7.03534 76.2145 1.49232 GPRESSAVG: 322600 -13.1385 11.5856 -8.57724 12.6635 30.511 76.8858 -6.79817 77.5924 2.9998 TIMING: 322600 CPU: 1080.63, 0.00318248/step Wall: 1080.63, 0.00318248/step, 4.13492 hours remaining, 231.539062 MB of memory in use. ENERGY: 322600 4025.5986 20427.1386 14488.5687 250.9110 -203304.0638 2466.7447 0.0000 0.0000 51864.6290 -109780.4732 298.0667 -161645.1022 -109414.2368 299.4991 -196.1436 -165.7056 760010.6444 6.7198 6.7908 PRESSURE: 322800 36.3339 -17.9872 97.6844 -17.9878 397.453 30.038 97.684 30.038 170.808 GPRESSURE: 322800 57.6641 36.2263 69.7001 -132.635 401.002 17.7006 125.394 -42.3751 235.526 PRESSAVG: 322800 -43.5475 2.99537 -28.7439 2.99539 32.1972 -23.9776 -28.7439 -23.9776 -12.3412 GPRESSAVG: 322800 -43.6142 2.76853 -28.2647 0.569592 32.4142 -24.709 -28.2514 -23.7915 -12.633 TIMING: 322800 CPU: 1081.28, 0.0032078/step Wall: 1081.28, 0.0032078/step, 4.16765 hours remaining, 231.539062 MB of memory in use. ENERGY: 322800 3841.3614 20672.1168 14452.2852 229.3515 -203910.9418 2912.6846 0.0000 0.0000 52047.6295 -109755.5127 299.1184 -161803.1422 -109393.3777 298.9122 201.5316 231.3972 759522.3506 -7.8972 -7.9443 PRESSURE: 323000 -362.21 -32.695 210.944 -32.6964 -180.04 134.258 210.944 134.259 -26.2727 GPRESSURE: 323000 -384.573 10.5342 236.022 -29.6773 -156.671 119.718 216.954 44.9019 44.0191 PRESSAVG: 323000 52.7824 -1.39568 -17.365 -1.39568 -24.265 15.3906 -17.365 15.3906 -16.963 GPRESSAVG: 323000 52.3148 0.655761 -18.4938 2.3153 -24.1408 17.3898 -16.9828 13.218 -16.5675 TIMING: 323000 CPU: 1081.91, 0.00317783/step Wall: 1081.91, 0.00317783/step, 4.12854 hours remaining, 231.539062 MB of memory in use. ENERGY: 323000 3934.2242 20504.2605 14472.7333 244.3037 -203056.7798 2237.7822 0.0000 0.0000 52120.7670 -109542.7089 299.5388 -161663.4759 -109180.4842 299.1409 -189.5074 -165.7417 761499.9577 3.8515 3.8688 PRESSURE: 323200 -437.496 -156.347 -156.787 -156.346 -159.718 -65.2995 -156.787 -65.2996 0.546942 GPRESSURE: 323200 -344.682 -128.119 -99.0451 -196.003 -138.754 -138.015 -116.664 57.365 -21.0892 PRESSAVG: 323200 36.7983 -44.1333 56.1323 -44.1333 -57.0856 2.24048 56.1322 2.24037 12.599 GPRESSAVG: 323200 38.3909 -46.9841 56.9479 -43.7789 -57.8511 1.0687 54.7572 4.08268 12.1521 TIMING: 323200 CPU: 1082.54, 0.00314634/step Wall: 1082.54, 0.00314635/step, 4.08745 hours remaining, 231.539062 MB of memory in use. ENERGY: 323200 3950.8034 20455.6690 14472.1882 238.7347 -203692.5134 2577.1225 0.0000 0.0000 52193.3211 -109804.6745 299.9557 -161997.9956 -109437.1681 298.9773 -198.8890 -168.1751 761814.7318 -2.5628 -2.4360 PRESSURE: 323400 -419.632 54.6988 13.6689 54.6984 -74.5726 77.584 13.669 77.5845 -179.514 GPRESSURE: 323400 -414.291 96.5291 59.128 65.4885 -37.1831 158.769 -9.52434 -12.5771 -140.87 PRESSAVG: 323400 2.91229 -69.4316 54.105 -69.4316 -7.91889 41.361 54.105 41.361 4.33082 GPRESSAVG: 323400 2.78279 -69.9747 54.295 -70.5981 -7.30254 41.4844 55.1323 39.802 4.15512 TIMING: 323400 CPU: 1083.17, 0.00316923/step Wall: 1083.17, 0.00316923/step, 4.11701 hours remaining, 231.539062 MB of memory in use. ENERGY: 323400 3940.1027 20388.6558 14442.6547 253.3022 -203107.7987 2407.4858 0.0000 0.0000 52039.0125 -109636.5851 299.0689 -161675.5975 -109272.4424 298.7886 -224.5728 -197.4482 761504.9954 -0.2253 -0.1215 PRESSURE: 323600 -206.19 3.64524 255.308 3.64519 -322.071 -99.436 255.308 -99.4365 20.7775 GPRESSURE: 323600 -262.954 166.581 116.266 9.77888 -201.429 -44.1801 355.423 -130.657 45.2291 PRESSAVG: 323600 -27.093 -68.4725 -14.9426 -68.4726 19.615 50.9323 -14.9426 50.9324 8.48817 GPRESSAVG: 323600 -27.3286 -65.5864 -14.7607 -67.9011 20.4822 51.7311 -14.8879 50.6212 8.05683 TIMING: 323600 CPU: 1083.81, 0.00315925/step Wall: 1083.81, 0.00315925/step, 4.10387 hours remaining, 231.539062 MB of memory in use. ENERGY: 323600 3924.2205 20496.8567 14421.0652 227.6841 -202589.9215 1961.6901 0.0000 0.0000 51916.8568 -109641.5481 298.3669 -161558.4049 -109269.2268 299.4308 -169.1609 -139.7178 761152.2080 0.3367 0.4035 PRESSURE: 323800 -258.732 -143.454 -23.9061 -143.455 -145.165 202.225 -23.9053 202.225 -414.801 GPRESSURE: 323800 -142.581 -196.508 -120.97 -55.6918 -217.68 258.394 -125.822 85.9958 -358.733 PRESSAVG: 323800 4.94294 -47.81 -3.82488 -47.81 20.3421 41.2967 -3.82489 41.2968 3.85475 GPRESSAVG: 323800 4.40288 -50.4919 -2.827 -49.4824 20.1818 40.0581 -5.57932 45.5686 4.80613 TIMING: 323800 CPU: 1084.44, 0.00317054/step Wall: 1084.44, 0.00317054/step, 4.11835 hours remaining, 231.539062 MB of memory in use. ENERGY: 323800 4013.6883 20594.9795 14353.5794 265.2191 -203163.0402 2322.3350 0.0000 0.0000 51961.9058 -109651.3330 298.6258 -161613.2388 -109284.1948 299.4301 -272.8997 -239.6643 760444.5362 9.7133 9.7969 PRESSURE: 324000 315.687 266.831 -145.908 266.829 238.477 149.106 -145.908 149.106 452.438 GPRESSURE: 324000 427.606 228.674 -123.4 194.69 169.394 26.7687 -173.196 184.473 490.29 PRESSAVG: 324000 -8.95308 -33.0774 -56.6062 -33.0775 -10.164 16.7968 -56.6062 16.7968 23.5877 GPRESSAVG: 324000 -8.3465 -30.8921 -56.2238 -32.5973 -11.0915 15.8118 -54.9644 12.06 23.8545 TIMING: 324000 CPU: 1085.07, 0.0031615/step Wall: 1085.07, 0.0031615/step, 4.10644 hours remaining, 231.539062 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: 324000 3993.6910 20586.0661 14455.9214 243.9014 -203935.9873 2796.8644 0.0000 0.0000 52069.4669 -109790.0761 299.2439 -161859.5430 -109429.2381 299.1335 335.5339 362.4299 759676.3722 1.4902 1.4722 PRESSURE: 324200 82.0561 -31.5059 -12.5901 -31.5064 388.393 -72.9259 -12.5907 -72.9248 99.9462 GPRESSURE: 324200 202.014 -120.328 43.6167 -69.3739 348.68 -90.061 -123.063 -100.892 104.325 PRESSAVG: 324200 -2.33989 -39.9839 -5.15767 -39.9839 33.5379 -4.73777 -5.15771 -4.73771 -8.13592 GPRESSAVG: 324200 -2.31837 -41.0189 -7.64441 -39.9707 34.0828 -2.84739 -6.5689 -3.78431 -8.78833 TIMING: 324200 CPU: 1085.71, 0.0031899/step Wall: 1085.71, 0.0031899/step, 4.14315 hours remaining, 231.539062 MB of memory in use. ENERGY: 324200 4036.9028 20530.2880 14531.6893 263.9596 -203695.6516 2581.3406 0.0000 0.0000 52134.8100 -109616.6614 299.6195 -161751.4713 -109239.4270 299.3568 190.1319 218.3397 759550.1821 7.6874 7.6587 LDB: ============= START OF LOAD BALANCING ============== 1098.14 LDB: ============== END OF LOAD BALANCING =============== 1098.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1098.14 LDB: ============= START OF LOAD BALANCING ============== 1098.46 LDB: Largest compute 7069 load 0.037314 is 19.1% of average load 0.194936 LDB: Average compute 0.004441 is 2.3% of average load 0.194936 LDB: TIME 1098.47 LOAD: AVG 0.194936 MAX 0.213533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.258 MB LDB: TIME 1098.47 LOAD: AVG 0.194936 MAX 0.213533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.367 MB LDB: TIME 1098.47 LOAD: AVG 0.194936 MAX 0.213533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.367 MB LDB: ============== END OF LOAD BALANCING =============== 1098.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1098.48 PRESSURE: 324400 -475.736 -201.708 -321.46 -201.707 -115.804 37.4045 -321.462 37.404 -258.742 GPRESSURE: 324400 -403.075 11.423 -189.586 -181.265 -148.347 85.2562 -285.558 43.609 -206.7 PRESSAVG: 324400 -19.7803 41.6266 -47.0586 41.6265 22.9627 -5.83703 -47.0587 -5.83707 5.40369 GPRESSAVG: 324400 -19.4236 43.2573 -45.8154 41.9662 22.9865 -5.85477 -44.2698 -5.7005 5.64671 TIMING: 324400 CPU: 1086.37, 0.00329623/step Wall: 1086.37, 0.00329623/step, 4.28108 hours remaining, 231.382812 MB of memory in use. ENERGY: 324400 4057.0687 20651.3538 14461.0781 234.4439 -203318.4046 2262.6921 0.0000 0.0000 51872.0085 -109779.7595 298.1091 -161651.7680 -109423.3884 299.3034 -283.4272 -252.7071 759985.4871 2.8621 3.0699 PRESSURE: 324600 227.552 -145.266 113.918 -145.266 -116.779 8.36602 113.917 8.3665 153.214 GPRESSURE: 324600 235.355 -87.3564 45.6879 -148.743 -5.75676 -31.8931 -10.2903 37.2727 103.997 PRESSAVG: 324600 -3.83933 -4.4394 -54.5841 -4.43943 11.1485 -29.4122 -54.5841 -29.4123 21.14 GPRESSAVG: 324600 -4.04757 -6.3472 -53.0277 -2.89168 11.8843 -28.8973 -56.6157 -26.6835 20.1341 TIMING: 324600 CPU: 1087.06, 0.00347258/step Wall: 1087.06, 0.00347258/step, 4.50992 hours remaining, 231.382812 MB of memory in use. ENERGY: 324600 3989.4216 20523.1176 14499.8250 235.9548 -203459.0109 2539.2368 0.0000 0.0000 52106.2039 -109565.2512 299.4551 -161671.4551 -109203.2045 299.2982 87.9957 111.1982 760188.2651 9.4830 9.3236 PRESSURE: 324800 -179.883 176.328 57.4154 176.327 2.02698 -52.4142 57.4143 -52.4141 -113.234 GPRESSURE: 324800 -90.0454 176.335 -9.15167 55.4291 23.2515 -71.3836 84.1146 -210.147 -122.837 PRESSAVG: 324800 -11.1939 28.5242 11.9228 28.5242 -2.01466 -8.23714 11.9228 -8.23716 19.497 GPRESSAVG: 324800 -9.89085 31.3897 9.27766 25.0649 -3.19639 -9.32711 10.8611 -10.8869 18.9268 TIMING: 324800 CPU: 1087.7, 0.00316147/step Wall: 1087.7, 0.00316147/step, 4.10569 hours remaining, 231.382812 MB of memory in use. ENERGY: 324800 3993.5544 20516.6329 14375.1962 255.3654 -203317.6579 2664.1464 0.0000 0.0000 52017.5976 -109495.1651 298.9458 -161512.7626 -109143.4947 299.6550 -97.0300 -63.2104 761814.5011 2.0961 1.9465 PRESSURE: 325000 471.549 115.717 -99.2437 115.716 -28.8001 125.037 -99.2435 125.036 -37.0929 GPRESSURE: 325000 426.334 28.9572 -50.8936 128.241 107.673 100.391 -120.29 112.704 -45.2794 PRESSAVG: 325000 69.8063 23.6136 -8.74346 23.6135 -59.5478 8.20146 -8.74343 8.20152 5.00469 GPRESSAVG: 325000 66.9145 21.6723 -6.46346 23.9363 -57.5496 6.94785 -6.47312 11.031 5.96107 TIMING: 325000 CPU: 1088.33, 0.00315671/step Wall: 1088.33, 0.00315671/step, 4.09933 hours remaining, 231.511719 MB of memory in use. ENERGY: 325000 3959.8476 20488.0585 14390.2132 246.0692 -203544.7370 2648.2157 0.0000 0.0000 52304.1071 -109508.2256 300.5924 -161812.3327 -109128.9226 299.8469 135.2186 162.9091 761224.5839 5.0877 5.1087 PRESSURE: 325200 -355.125 -184.923 -14.7566 -184.923 -317.197 10.2931 -14.7567 10.2912 -68.8711 GPRESSURE: 325200 -249.656 -60.1521 -20.9288 1.1925 -272.499 15.7224 -83.6842 19.5885 -114.045 PRESSAVG: 325200 29.5368 14.5965 12.4286 14.5964 -0.290703 46.4953 12.4286 46.4952 -4.70178 GPRESSAVG: 325200 29.1925 14.1557 10.8024 17.6512 0.401371 47.995 12.3606 44.7684 -4.13803 TIMING: 325200 CPU: 1088.96, 0.00317085/step Wall: 1088.96, 0.00317085/step, 4.11752 hours remaining, 231.511719 MB of memory in use. ENERGY: 325200 4005.4895 20605.7425 14370.4394 253.6809 -203535.9882 2676.7970 0.0000 0.0000 52333.1655 -109290.6734 300.7594 -161623.8389 -108933.8627 300.1304 -247.0644 -212.0668 761918.3545 8.1815 8.4853 PRESSURE: 325400 -160.382 139.264 130.27 139.263 -32.7665 112.222 130.27 112.221 -167 GPRESSURE: 325400 -124.156 91.4311 183.989 40.1165 -13.0112 230.483 -2.01656 2.54 -153.238 PRESSAVG: 325400 19.7645 -25.4962 28.4832 -25.4962 -37.6461 -10.3725 28.4832 -10.3725 10.7614 GPRESSAVG: 325400 20.4656 -23.1911 28.4401 -26.9788 -37.4458 -10.5564 27.6537 -9.18545 10.4553 TIMING: 325400 CPU: 1089.6, 0.00320739/step Wall: 1089.6, 0.00320739/step, 4.16479 hours remaining, 231.714844 MB of memory in use. ENERGY: 325400 3978.1231 20651.6445 14395.9780 245.9629 -203338.6283 2529.6817 0.0000 0.0000 52175.9607 -109361.2774 299.8560 -161537.2381 -109003.2252 300.2913 -120.0494 -96.8020 761075.9757 -2.3734 -2.1750 PRESSURE: 325600 -162.319 71.6223 -243.151 71.622 -50.741 -22.8429 -243.151 -22.8433 -16.502 GPRESSURE: 325600 -133.661 152.405 -222.304 106.754 -2.40261 -63.4773 -54.1406 -102.891 13.2097 PRESSAVG: 325600 30.4376 28.2537 -57.2624 28.2537 0.529547 -8.41927 -57.2624 -8.4192 16.3697 GPRESSAVG: 325600 30.0686 25.7416 -57.9389 28.4451 -0.111151 -8.59335 -55.3394 -9.06621 17.8561 TIMING: 325600 CPU: 1090.24, 0.00319074/step Wall: 1090.24, 0.00319074/step, 4.143 hours remaining, 231.714844 MB of memory in use. ENERGY: 325600 4012.1441 20516.4928 14383.5823 255.7244 -203093.7853 2441.1007 0.0000 0.0000 51986.3488 -109498.3922 298.7663 -161484.7410 -109139.7503 300.0482 -76.5208 -40.9511 761922.5891 15.7790 15.9379 PRESSURE: 325800 -29.402 -108.189 153.497 -108.188 135.925 67.2216 153.497 67.2217 -416.629 GPRESSURE: 325800 64.322 -96.527 164.305 -149.192 126.585 96.9824 151.587 -32.7404 -386.199 PRESSAVG: 325800 31.5606 -42.5879 20.8455 -42.5879 7.41763 -26.6842 20.8455 -26.6842 13.8663 GPRESSAVG: 325800 34.5485 -42.9582 23.1428 -41.9633 5.17681 -27.8671 18.7829 -27.3332 13.5415 TIMING: 325800 CPU: 1090.88, 0.00320463/step Wall: 1090.88, 0.00320463/step, 4.16086 hours remaining, 231.714844 MB of memory in use. ENERGY: 325800 4055.4625 20348.2902 14404.6078 260.5548 -204053.7284 2980.0629 0.0000 0.0000 52383.9369 -109620.8133 301.0512 -162004.7502 -109254.3490 299.5063 -103.3686 -65.0970 759978.9574 17.6148 17.7556 PRESSURE: 326000 -363.398 38.6241 -261.965 38.624 -146.751 -101.72 -261.966 -101.72 -313.163 GPRESSURE: 326000 -416.344 -27.8754 -247.73 -105.156 -100.586 -130.553 -169.688 -50.8412 -215.501 PRESSAVG: 326000 19.5157 -34.8596 23.6296 -34.8596 -6.2102 -62.6149 23.6296 -62.6149 -31.8822 GPRESSAVG: 326000 17.3848 -35.6921 23.6957 -35.2537 -5.27713 -61.4241 23.0553 -63.4386 -30.709 TIMING: 326000 CPU: 1091.51, 0.00314462/step Wall: 1091.51, 0.00314462/step, 4.08277 hours remaining, 231.714844 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: 326000 4012.9354 20546.4829 14341.4501 257.8658 -203645.5106 2488.4484 0.0000 0.0000 52174.4439 -109823.8840 299.8472 -161998.3279 -109468.1462 299.3633 -274.4371 -244.1436 762252.0706 -6.1922 -6.2004 PRESSURE: 326200 38.1029 129.644 173.349 129.644 -73.2047 -111.057 173.35 -111.057 24.4873 GPRESSURE: 326200 16.1091 18.3271 291.713 149.85 -52.047 -105.996 190.577 -142.231 105.166 PRESSAVG: 326200 36.1418 -18.3155 -14.0113 -18.3155 -34.2505 -9.19896 -14.0112 -9.1989 -1.19258 GPRESSAVG: 326200 35.9276 -15.3122 -14.2345 -20.2752 -33.1722 -8.61052 -13.2564 -8.80218 -2.344 TIMING: 326200 CPU: 1092.15, 0.0031708/step Wall: 1092.15, 0.0031708/step, 4.11658 hours remaining, 231.714844 MB of memory in use. ENERGY: 326200 3970.0310 20468.7938 14503.3434 241.4697 -203684.2601 2812.7168 0.0000 0.0000 52123.6639 -109564.2414 299.5554 -161687.9054 -109213.9710 299.3520 -3.5382 23.0761 760696.5129 0.2329 0.1371 PRESSURE: 326400 -86.2842 -73.0528 70.068 -73.0531 -346.334 41.2 70.0678 41.2007 -215.796 GPRESSURE: 326400 -100.635 -0.814884 37.4845 -73.6202 -355.789 51.4735 56.1851 -23.9379 -113.742 PRESSAVG: 326400 47.3248 -8.19258 24.7321 -8.19256 -43.6827 28.1578 24.7321 28.1577 11.4651 GPRESSAVG: 326400 47.3667 -7.55207 22.5552 -7.87096 -43.8907 29.4113 24.851 28.4111 11.2984 TIMING: 326400 CPU: 1092.77, 0.0031403/step Wall: 1092.77, 0.0031403/step, 4.07681 hours remaining, 231.714844 MB of memory in use. ENERGY: 326400 3998.2708 20476.4265 14461.5371 259.1366 -203174.3985 2410.0265 0.0000 0.0000 51844.7570 -109724.2440 297.9525 -161569.0010 -109365.3598 299.3789 -216.1381 -190.0552 760968.3479 5.0357 4.9248 PRESSURE: 326600 51.439 24.5467 -213.094 24.5468 133.988 257.008 -213.094 257.007 221.877 GPRESSURE: 326600 52.6826 -91.5408 -212.553 16.4921 153.401 347.097 -124.13 312.344 298.698 PRESSAVG: 326600 -21.3915 2.3766 -20.0438 2.3766 32.0405 11.7176 -20.0437 11.7177 17.2538 GPRESSAVG: 326600 -21.6706 1.13178 -16.3931 2.27187 30.9752 10.1715 -20.3048 12.9508 18.1938 TIMING: 326600 CPU: 1093.4, 0.00315341/step Wall: 1093.4, 0.00315341/step, 4.09365 hours remaining, 231.714844 MB of memory in use. ENERGY: 326600 3894.6296 20635.3187 14506.7105 247.9939 -203727.9029 2781.6364 0.0000 0.0000 52074.6195 -109586.9943 299.2736 -161661.6138 -109227.0296 298.8809 135.7679 168.2607 759851.3798 9.3009 9.1662 PRESSURE: 326800 -313.104 94.9716 71.8679 94.9719 4.77959 -334.132 71.8681 -334.132 -284.933 GPRESSURE: 326800 -344.207 134.039 110.138 146.677 132.878 -212.019 6.15486 -308.15 -274.806 PRESSAVG: 326800 -12.1798 3.3027 -20.1435 3.30271 7.38381 39.1412 -20.1435 39.1413 8.1556 GPRESSAVG: 326800 -10.7333 2.26229 -21.6304 5.12425 8.18118 40.932 -19.1777 39.1455 6.12131 TIMING: 326800 CPU: 1094.04, 0.00316827/step Wall: 1094.04, 0.00316827/step, 4.11277 hours remaining, 231.714844 MB of memory in use. ENERGY: 326800 4118.6966 20426.6725 14464.5233 246.6277 -203311.4046 2485.0682 0.0000 0.0000 52030.7193 -109539.0971 299.0213 -161569.8164 -109187.4829 299.8067 -197.7525 -162.0452 759946.8973 1.1199 1.1897 PRESSURE: 327000 336.696 -98.3423 73.1609 -98.3419 -174.906 -264.317 73.1611 -264.317 420.403 GPRESSURE: 327000 308.616 -8.23957 92.5453 -151.345 -28.3743 -228.733 82.0931 -203.695 399.651 PRESSAVG: 327000 -24.9045 -18.3859 39.0457 -18.3859 34.8305 -65.2556 39.0458 -65.2556 -2.53456 GPRESSAVG: 327000 -26.8152 -18.0106 37.4218 -17.05 35.322 -66.8148 39.1184 -64.6251 -1.54634 TIMING: 327000 CPU: 1094.68, 0.00320953/step Wall: 1094.68, 0.00320953/step, 4.16615 hours remaining, 231.847656 MB of memory in use. ENERGY: 327000 3961.0889 20428.4551 14398.8012 240.5650 -203228.0795 2631.9461 0.0000 0.0000 51890.9184 -109676.3048 298.2178 -161567.2232 -109323.4985 298.8427 194.0643 226.6310 761336.3111 2.4638 2.3202 PRESSURE: 327200 77.4911 95.2552 82.5554 95.2554 272.068 -98.5003 82.5551 -98.5016 143.012 GPRESSURE: 327200 151.664 73.3032 60.6769 146.509 264.522 -20.434 158.572 -56.1964 141.583 PRESSAVG: 327200 -6.59187 21.6425 39.8103 21.6425 33.0499 -31.2022 39.8104 -31.2022 -22.0056 GPRESSAVG: 327200 -6.53917 22.1357 41.7184 19.1654 32.7922 -31.3051 38.2382 -30.9368 -22.3242 TIMING: 327200 CPU: 1095.32, 0.00318877/step Wall: 1095.32, 0.00318877/step, 4.13903 hours remaining, 231.847656 MB of memory in use. ENERGY: 327200 3905.4934 20525.1310 14383.8167 230.1864 -203511.3821 2705.4135 0.0000 0.0000 51802.5077 -109958.8334 297.7097 -161761.3410 -109607.5192 298.9084 164.1904 185.9232 759639.6806 1.4841 1.3096 PRESSURE: 327400 -170.105 -253.39 -107.48 -253.391 -208.232 38.0701 -107.48 38.0711 363.656 GPRESSURE: 327400 -145.047 -95.0321 -49.8607 -298.032 -116.142 41.4497 -11.6064 -22.5633 343.106 PRESSAVG: 327400 17.4055 -24.8918 36.7398 -24.8918 -5.51588 -30.17 36.7399 -30.17 8.34766 GPRESSAVG: 327400 18.2704 -24.602 35.3762 -24.3676 -5.48454 -30.2186 39.084 -31.6608 8.12935 TIMING: 327400 CPU: 1095.96, 0.00319501/step Wall: 1095.96, 0.00319501/step, 4.14695 hours remaining, 231.847656 MB of memory in use. ENERGY: 327400 3942.4301 20370.4789 14449.9850 247.9344 -203535.1380 2559.4533 0.0000 0.0000 51986.4497 -109978.4066 298.7668 -161964.8563 -109614.5688 298.3919 -4.8941 27.3057 761256.6214 6.7458 6.9718 PRESSURE: 327600 183.839 -130.834 -16.5516 -130.834 148.32 -75.0451 -16.5522 -75.0448 -122.662 GPRESSURE: 327600 219.423 -43.7926 -43.29 -152.819 104.136 -150.078 4.73127 -145.52 -39.5382 PRESSAVG: 327600 -25.0749 -62.1795 1.23605 -62.1794 74.5459 -18.7111 1.23604 -18.7111 -4.08572 GPRESSAVG: 327600 -26.2645 -61.7185 2.49884 -61.7245 75.5923 -15.6091 -0.77987 -19.5941 -4.0033 TIMING: 327600 CPU: 1096.59, 0.0031811/step Wall: 1096.59, 0.0031811/step, 4.12872 hours remaining, 231.847656 MB of memory in use. ENERGY: 327600 3998.2569 20395.3317 14480.1266 263.6250 -203416.7564 2408.4097 0.0000 0.0000 51855.5159 -110015.4905 298.0144 -161871.0064 -109651.8268 297.9973 69.8322 94.6736 757398.5990 15.1284 15.1082 PRESSURE: 327800 -168.679 44.3029 46.1512 44.3021 274.396 -70.606 46.1505 -70.6056 208.999 GPRESSURE: 327800 2.57451 2.9013 4.67814 82.8621 210.933 10.445 17.3114 -23.2135 198.048 PRESSAVG: 327800 -6.6117 -47.5902 63.1981 -47.5903 3.23845 -26.305 63.198 -26.3049 7.58859 GPRESSAVG: 327800 -6.15279 -47.6247 62.316 -47.7328 0.736422 -28.3442 63.4442 -26.3561 8.76565 TIMING: 327800 CPU: 1097.23, 0.00317941/step Wall: 1097.23, 0.00317941/step, 4.12635 hours remaining, 231.847656 MB of memory in use. ENERGY: 327800 4019.9114 20379.6550 14453.2262 237.5706 -203481.3773 2574.7568 0.0000 0.0000 52198.5833 -109617.6741 299.9860 -161816.2574 -109252.7601 298.8748 104.9052 137.1852 759392.6030 1.4051 1.1164 PRESSURE: 328000 315.386 53.3827 -171.958 53.3823 -292.602 53.4459 -171.959 53.4454 -77.5328 GPRESSURE: 328000 206.789 37.4187 -150.379 -10.8429 -135.68 32.7827 -113.214 -49.9023 -43.909 PRESSAVG: 328000 -5.75556 -45.0295 -11.0093 -45.0295 -12.0381 9.53434 -11.0094 9.5343 -18.8552 GPRESSAVG: 328000 -6.72372 -44.7585 -9.32291 -45.3703 -9.91418 10.9116 -10.5801 9.23535 -19.579 TIMING: 328000 CPU: 1097.87, 0.00318573/step Wall: 1097.87, 0.00318573/step, 4.13437 hours remaining, 231.847656 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: 328000 3935.8644 20338.0540 14429.5157 239.1620 -203294.0784 2816.8532 0.0000 0.0000 51762.7214 -109771.9077 297.4811 -161534.6290 -109407.5952 299.1216 -18.2495 9.0667 761329.3574 -12.2163 -12.0723 PRESSURE: 328200 354.902 -80.9461 6.42213 -80.9467 210.902 6.11888 6.42271 6.11845 -285.648 GPRESSURE: 328200 295.507 -180.578 -25.7251 -89.4753 224.165 -3.44957 85.5116 -144.051 -151.677 PRESSAVG: 328200 -12.6551 -23.3225 27.7285 -23.3224 13.1753 -13.9666 27.7286 -13.9665 16.5301 GPRESSAVG: 328200 -10.0631 -24.3257 25.5767 -21.8676 12.3907 -13.3226 29.7277 -14.0033 14.6115 TIMING: 328200 CPU: 1098.51, 0.00320381/step Wall: 1098.51, 0.00320381/step, 4.15766 hours remaining, 231.847656 MB of memory in use. ENERGY: 328200 3947.7342 20461.8283 14426.6542 252.7453 -203790.4273 2924.9928 0.0000 0.0000 51859.5149 -109916.9575 298.0373 -161776.4723 -109555.4271 298.8878 93.3853 122.6651 761579.6825 5.6834 5.6464 LDB: ============= START OF LOAD BALANCING ============== 1110.93 LDB: ============== END OF LOAD BALANCING =============== 1110.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1110.94 LDB: ============= START OF LOAD BALANCING ============== 1111.25 LDB: Largest compute 7069 load 0.036563 is 18.8% of average load 0.194941 LDB: Average compute 0.004446 is 2.3% of average load 0.194941 LDB: TIME 1111.26 LOAD: AVG 0.194941 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.133 MB LDB: TIME 1111.26 LOAD: AVG 0.194941 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.133 MB LDB: TIME 1111.26 LOAD: AVG 0.194941 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.133 MB LDB: ============== END OF LOAD BALANCING =============== 1111.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1111.27 PRESSURE: 328400 -348.877 -188.9 -119.562 -188.901 -133.473 -34.3959 -119.561 -34.3952 -490.295 GPRESSURE: 328400 -221.777 -180.359 -126.255 -200.279 -196.152 -11.7771 -128.549 -96.9722 -470.837 PRESSAVG: 328400 -36.3546 -58.868 18.4475 -58.868 19.7429 -13.5718 18.4475 -13.5718 -1.81456 GPRESSAVG: 328400 -37.9441 -58.0204 19.4018 -58.5952 20.9727 -12.3497 18.2132 -15.2004 -0.751357 TIMING: 328400 CPU: 1099.16, 0.00326337/step Wall: 1099.16, 0.00326337/step, 4.23477 hours remaining, 231.566406 MB of memory in use. ENERGY: 328400 4087.2345 20470.0467 14447.8197 240.8704 -203493.5285 2678.8938 0.0000 0.0000 51986.4916 -109582.1717 298.7671 -161568.6633 -109224.6578 298.2803 -324.2151 -296.2551 761872.1062 -6.1421 -5.9076 PRESSURE: 328600 -297.978 -186.467 30.1663 -186.469 104.447 91.741 30.1659 91.7417 -269.615 GPRESSURE: 328600 -278.345 -229.372 84.4611 -89.2768 60.0028 -2.9266 -41.0534 77.8227 -174.824 PRESSAVG: 328600 55.3048 -31.1837 -5.00067 -31.1837 -31.9604 -32.545 -5.00068 -32.5451 11.268 GPRESSAVG: 328600 56.6908 -30.5777 -4.41106 -30.8007 -33.8805 -35.0183 -7.22743 -29.8517 11.7856 TIMING: 328600 CPU: 1099.8, 0.00321254/step Wall: 1099.8, 0.00321254/step, 4.16862 hours remaining, 231.636719 MB of memory in use. ENERGY: 328600 4041.8620 20317.1382 14404.3977 240.9101 -203249.6605 2258.7334 0.0000 0.0000 52260.1123 -109726.5068 300.3396 -161986.6191 -109358.3965 299.0705 -154.3821 -131.0553 761682.9943 11.5375 11.5320 PRESSURE: 328800 -277.437 -52.8664 -70.5153 -52.866 -87.7848 -47.617 -70.5154 -47.6183 -472.734 GPRESSURE: 328800 -186.638 -88.7517 -188.34 39.4119 -60.7046 -58.1813 38.2746 -184.034 -499.292 PRESSAVG: 328800 79.2118 -9.16392 -41.9919 -9.16397 -57.2369 -41.3163 -41.9918 -41.3164 17.8832 GPRESSAVG: 328800 78.3848 -10.9549 -43.9574 -8.18011 -56.5542 -40.6676 -39.5954 -43.5895 17.7173 TIMING: 328800 CPU: 1100.44, 0.00318654/step Wall: 1100.44, 0.00318654/step, 4.13471 hours remaining, 231.636719 MB of memory in use. ENERGY: 328800 4039.0935 20576.4495 14510.2874 253.5544 -203658.5766 2615.0254 0.0000 0.0000 52200.6889 -109463.4776 299.9981 -161664.1665 -109101.9261 299.6673 -279.3186 -248.8783 760539.4402 13.2860 13.1826 PRESSURE: 329000 -357.665 -24.1961 -147.411 -24.1958 -536.038 -28.9119 -147.411 -28.9119 -53.2641 GPRESSURE: 329000 -388.649 -0.783132 -267.603 3.58786 -406.321 -64.1427 -127.968 90.4506 -54.3123 PRESSAVG: 329000 -0.140769 20.6146 13.8955 20.6146 -1.31341 15.6224 13.8956 15.6224 -10.8745 GPRESSAVG: 329000 0.602058 20.7546 13.8841 20.1543 -1.64943 13.7866 12.4577 17.7358 -10.7674 TIMING: 329000 CPU: 1101.08, 0.00318566/step Wall: 1101.08, 0.00318566/step, 4.13339 hours remaining, 231.636719 MB of memory in use. ENERGY: 329000 4025.3773 20540.9068 14392.0764 246.1602 -202839.6393 2193.9492 0.0000 0.0000 52100.9248 -109340.2446 299.4247 -161441.1694 -108979.4641 299.5392 -315.6558 -283.0943 761970.2542 -4.1096 -3.9383 PRESSURE: 329200 64.1115 -300.055 11.7566 -300.056 -123.633 188.517 11.7567 188.517 -44.1451 GPRESSURE: 329200 22.7774 -272.077 4.2604 -181.361 -57.3881 155.742 -41.4225 181.321 31.0949 PRESSAVG: 329200 15.8184 -26.3808 -20.833 -26.3809 -24.6465 54.8252 -20.833 54.8252 2.03258 GPRESSAVG: 329200 15.5718 -24.5641 -21.2798 -28.0502 -23.403 55.7276 -19.6582 54.9012 1.19683 TIMING: 329200 CPU: 1101.71, 0.00317269/step Wall: 1101.71, 0.00317269/step, 4.11638 hours remaining, 231.636719 MB of memory in use. ENERGY: 329200 3998.5707 20536.8876 14380.6347 262.0660 -203114.7672 2451.8663 0.0000 0.0000 52182.5710 -109302.1708 299.8940 -161484.7418 -108934.6697 299.7196 -34.5555 -1.1719 761003.2973 -2.2651 -2.2115 PRESSURE: 329400 200.376 179.381 105.589 179.38 -124.56 -50.3725 105.59 -50.373 -156.686 GPRESSURE: 329400 124.499 216.036 29.5936 191.18 -48.2494 -99.2601 135.846 62.1106 -92.7395 PRESSAVG: 329400 15.301 10.5257 18.6357 10.5257 11.077 25.3464 18.6357 25.3464 -5.88953 GPRESSAVG: 329400 14.9279 10.6566 20.4656 10.7731 10.6202 25.1558 19.0722 25.6496 -4.96962 TIMING: 329400 CPU: 1102.34, 0.0031579/step Wall: 1102.34, 0.0031579/step, 4.09702 hours remaining, 231.636719 MB of memory in use. ENERGY: 329400 3970.5661 20452.2537 14503.6815 246.5759 -203321.4392 2657.5409 0.0000 0.0000 52084.0233 -109406.7978 299.3276 -161490.8212 -109043.0239 299.3741 -26.9567 -5.4966 763140.8014 6.8295 6.8595 PRESSURE: 329600 -188.373 16.6809 -11.288 16.68 28.3966 -70.1318 -11.288 -70.131 -444.298 GPRESSURE: 329600 -85.2746 85.2498 24.2183 -66.8947 -52.9388 20.9326 76.4209 -91.4827 -360.554 PRESSAVG: 329600 -16.655 -11.6635 -26.6084 -11.6635 3.46732 10.4 -26.6084 10.4 -16.011 GPRESSAVG: 329600 -17.1681 -11.6573 -27.085 -10.7908 3.91674 9.78826 -26.4461 8.61233 -15.6107 TIMING: 329600 CPU: 1102.98, 0.00317354/step Wall: 1102.98, 0.00317354/step, 4.11714 hours remaining, 231.636719 MB of memory in use. ENERGY: 329600 3991.6635 20397.6859 14451.1778 248.0555 -203124.4801 2331.6113 0.0000 0.0000 52280.7450 -109423.5411 300.4582 -161704.2862 -109053.6302 300.1267 -201.4247 -166.2558 762026.9414 -9.7329 -9.6207 PRESSURE: 329800 166.064 -202.095 -114.93 -202.095 50.899 -50.6764 -114.93 -50.6758 354.713 GPRESSURE: 329800 238.945 -329.954 -160.279 -84.0907 -10.592 -67.1805 -64.796 -116.357 418.146 PRESSAVG: 329800 19.8983 -16.0651 -45.6548 -16.0652 -19.666 -18.5037 -45.6547 -18.5037 18.2839 GPRESSAVG: 329800 20.4543 -17.9786 -47.4522 -16.8237 -21.4157 -19.0761 -47.4364 -17.9966 18.9478 TIMING: 329800 CPU: 1103.61, 0.00317335/step Wall: 1103.61, 0.00317335/step, 4.11672 hours remaining, 231.636719 MB of memory in use. ENERGY: 329800 4026.0581 20482.3632 14451.8212 248.4092 -203469.1426 2811.6645 0.0000 0.0000 52111.1908 -109337.6355 299.4837 -161448.8263 -108975.8509 299.9599 190.5587 215.4996 760941.4557 6.1720 5.9955 PRESSURE: 330000 -126.622 -58.6491 121.236 -58.6489 1.90668 -95.3279 121.237 -95.3271 -110.711 GPRESSURE: 330000 -192.689 104.593 27.0575 -55.7262 124.931 -62.119 293.714 -147.066 -109.215 PRESSAVG: 330000 1.18338 22.7925 -3.90634 22.7925 14.2674 13.279 -3.90634 13.2791 -12.636 GPRESSAVG: 330000 1.05356 23.1327 -3.85147 24.8003 15.4503 16.2514 -4.76862 11.6384 -13.9431 TIMING: 330000 CPU: 1104.24, 0.00314641/step Wall: 1104.24, 0.00314641/step, 4.08159 hours remaining, 231.636719 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: 330000 3998.3021 20466.0125 14374.9597 243.1581 -203092.3181 2402.1735 0.0000 0.0000 52087.0113 -109520.7009 299.3448 -161607.7122 -109159.9818 299.6142 -78.4752 -58.9907 761784.1329 0.9382 0.8536 PRESSURE: 330200 64.9769 13.761 -40.1609 13.7612 -34.4987 -65.6877 -40.1611 -65.688 200.573 GPRESSURE: 330200 198.121 -29.8862 18.498 137.789 -79.3339 -68.6207 -105.752 -115.314 183.533 PRESSAVG: 330200 37.3138 60.3931 -22.2031 60.3931 16.8309 14.0287 -22.2031 14.0287 1.86828 GPRESSAVG: 330200 36.7527 60.8677 -20.0063 60.3153 17.6697 14.5525 -20.3724 14.7155 2.51595 TIMING: 330200 CPU: 1104.87, 0.00314386/step Wall: 1104.87, 0.00314386/step, 4.07812 hours remaining, 231.636719 MB of memory in use. ENERGY: 330200 3975.8638 20461.5853 14381.1405 260.7982 -202772.9746 2215.8243 0.0000 0.0000 52107.5414 -109370.2210 299.4628 -161477.7624 -109003.1841 298.8788 77.0170 100.7732 759716.0205 18.6710 18.9794 PRESSURE: 330400 -361.326 -61.0675 145.95 -61.068 -247.237 -54.3152 145.949 -54.3154 -357.448 GPRESSURE: 330400 -316.58 18.0208 186.282 -133.918 -259.735 -59.2337 37.4005 -42.2875 -313.508 PRESSAVG: 330400 9.3306 -7.34262 10.0733 -7.34259 -11.1216 14.9729 10.0734 14.9729 -1.38484 GPRESSAVG: 330400 9.78466 -7.08404 9.71106 -8.29576 -11.9309 13.2025 10.466 15.1989 -1.11552 TIMING: 330400 CPU: 1105.5, 0.00316296/step Wall: 1105.5, 0.00316296/step, 4.10271 hours remaining, 231.636719 MB of memory in use. ENERGY: 330400 4039.0298 20452.9025 14410.9765 258.2657 -203232.8835 2406.8340 0.0000 0.0000 52377.3822 -109287.4928 301.0135 -161664.8750 -108928.5727 299.6123 -322.0040 -296.6076 761782.5074 -1.0586 -1.0873 PRESSURE: 330600 -155.137 -115.369 -12.675 -115.368 505.026 -186.896 -12.6757 -186.897 3.57195 GPRESSURE: 330600 -45.4601 -225.383 9.97315 -81.8423 556.778 -188.076 -40.0119 -139.66 -61.6927 PRESSAVG: 330600 17.3136 -6.71366 -13.7926 -6.71367 -26.9533 19.839 -13.7925 19.839 3.75718 GPRESSAVG: 330600 18.0606 -7.78139 -15.0655 -5.52184 -27.1399 20.0662 -14.0015 19.8175 3.16799 TIMING: 330600 CPU: 1106.14, 0.00317687/step Wall: 1106.14, 0.00317687/step, 4.12058 hours remaining, 231.636719 MB of memory in use. ENERGY: 330600 4030.1158 20447.3274 14392.1365 246.5732 -203264.9592 2590.2004 0.0000 0.0000 52155.9487 -109402.6572 299.7410 -161558.6059 -109048.2744 299.5662 117.8204 149.8752 760620.8082 -1.9608 -1.9704 PRESSURE: 330800 -265.503 1.34346 6.18963 1.34299 139.291 -262.549 6.1897 -262.55 -234.06 GPRESSURE: 330800 -151.641 -30.8845 91.6746 5.10944 86.085 -273.42 71.1274 -311.415 -184.894 PRESSAVG: 330800 33.6713 2.13471 21.7488 2.13472 -37.09 -29.498 21.7488 -29.4981 1.26445 GPRESSAVG: 330800 33.3681 1.8447 22.572 2.51124 -37.6933 -29.4863 21.504 -29.2409 2.25479 TIMING: 330800 CPU: 1106.77, 0.00314897/step Wall: 1106.77, 0.00314897/step, 4.08421 hours remaining, 231.636719 MB of memory in use. ENERGY: 330800 4043.8569 20429.8116 14426.4612 248.8152 -203105.5818 2442.6426 0.0000 0.0000 52006.3950 -109507.5993 298.8815 -161513.9943 -109141.9752 299.7343 -120.0906 -83.4833 760550.3279 -0.7181 -0.6902 PRESSURE: 331000 -345.441 -37.4292 -28.0285 -37.4295 112.211 -19.9773 -28.0286 -19.9779 -385.997 GPRESSURE: 331000 -321.791 30.4913 29.1415 -1.20051 185.297 -30.3473 43.6418 0.623643 -394.197 PRESSAVG: 331000 -12.8351 8.46999 5.67969 8.46989 -9.67862 -52.4685 5.67958 -52.4686 2.88844 GPRESSAVG: 331000 -14.3358 9.92245 4.76505 8.45115 -7.33296 -52.2082 6.83686 -50.6407 1.98988 TIMING: 331000 CPU: 1107.4, 0.0031518/step Wall: 1107.4, 0.0031518/step, 4.0877 hours remaining, 231.636719 MB of memory in use. ENERGY: 331000 3932.8608 20585.6514 14520.1992 229.7737 -203134.1221 2366.8979 0.0000 0.0000 52045.1814 -109453.5578 299.1044 -161498.7392 -109088.6789 299.3327 -206.4091 -176.8972 761930.4012 -6.5417 -6.5596 PRESSURE: 331200 -373.13 124.204 135.603 124.205 -64.6672 137.1 135.603 137.101 110.194 GPRESSURE: 331200 -308.61 232.451 184.988 2.33028 -1.38188 127.151 53.5526 233.439 82.2077 PRESSAVG: 331200 -53.4765 -18.8593 35.8402 -18.8593 41.4768 -10.8275 35.8402 -10.8276 -1.18334 GPRESSAVG: 331200 -51.6523 -18.7841 37.2324 -17.6331 39.9566 -10.6905 34.6407 -11.2667 -1.89686 TIMING: 331200 CPU: 1108.03, 0.00317907/step Wall: 1108.03, 0.00317907/step, 4.1229 hours remaining, 231.636719 MB of memory in use. ENERGY: 331200 3952.8338 20584.2268 14448.3426 240.0524 -203425.1868 2719.0715 0.0000 0.0000 52119.6952 -109360.9645 299.5326 -161480.6597 -108994.9800 299.7654 -109.2010 -75.9282 764258.7026 -4.3944 -4.5308 PRESSURE: 331400 -74.1317 369.644 -45.9862 369.645 -133.777 -126.291 -45.986 -126.291 -465.942 GPRESSURE: 331400 87.1654 203.342 -25.185 215.816 -189.347 -118.693 -156.961 -49.3444 -483.526 PRESSAVG: 331400 -13.7045 26.1903 63.7083 26.1904 18.959 12.801 63.7083 12.8011 6.42131 GPRESSAVG: 331400 -14.1608 24.3401 64.6128 24.1122 18.429 12.9451 62.4205 11.6547 7.28458 TIMING: 331400 CPU: 1108.67, 0.00317703/step Wall: 1108.67, 0.00317703/step, 4.12008 hours remaining, 231.636719 MB of memory in use. ENERGY: 331400 3910.7207 20654.6541 14427.2114 279.4265 -203353.5229 2409.4133 0.0000 0.0000 52183.3630 -109488.7338 299.8985 -161672.0969 -109125.8047 299.6849 -224.6171 -195.2360 763547.5433 3.8919 3.8509 PRESSURE: 331600 272.352 141.684 11.368 141.684 2.27387 -222.462 11.3668 -222.461 -124.916 GPRESSURE: 331600 340.696 41.2417 38.3659 210.859 -30.4887 -246.53 -25.2663 -200.214 -57.1848 PRESSAVG: 331600 26.3437 -50.4972 -22.5008 -50.4972 -44.4418 -10.8041 -22.5008 -10.8042 -24.0294 GPRESSAVG: 331600 24.7882 -48.2575 -24.1434 -48.9318 -44.105 -11.6202 -20.676 -8.10226 -22.8766 TIMING: 331600 CPU: 1109.3, 0.00317798/step Wall: 1109.3, 0.00317798/step, 4.12114 hours remaining, 231.636719 MB of memory in use. ENERGY: 331600 3989.5777 20625.5656 14396.1791 241.1893 -203650.3361 2949.6185 0.0000 0.0000 51968.0349 -109480.1710 298.6610 -161448.2059 -109136.2430 299.6444 49.9031 84.3408 763315.5566 -14.0425 -14.0645 PRESSURE: 331800 58.8566 -139.373 -22.8389 -139.373 56.8269 2.75766 -22.8397 2.75782 -117.964 GPRESSURE: 331800 93.6249 -176.168 49.5097 -38.3555 18.634 61.7762 -118.828 37.5649 -41.4146 PRESSAVG: 331800 27.0088 -19.3502 8.59263 -19.3501 -14.778 -13.5487 8.5926 -13.5488 -9.24832 GPRESSAVG: 331800 26.2786 -21.2798 8.95655 -19.0314 -14.1374 -11.6828 7.1854 -17.5673 -8.99412 TIMING: 331800 CPU: 1109.94, 0.00317176/step Wall: 1109.94, 0.00317176/step, 4.11289 hours remaining, 231.636719 MB of memory in use. ENERGY: 331800 4018.5668 20525.4963 14387.6797 219.5023 -203437.3124 2762.9936 0.0000 0.0000 52075.9827 -109447.0911 299.2814 -161523.0738 -109094.1070 298.7249 -0.7602 23.6148 763266.9406 0.9942 1.0490 PRESSURE: 332000 -206.661 129.539 -146.882 129.538 74.0524 -215.948 -146.882 -215.947 -374.027 GPRESSURE: 332000 -115.717 107.406 -83.7574 65.9775 167.16 -127.461 -192.056 -218.017 -453.84 PRESSAVG: 332000 16.3675 -22.8566 27.7336 -22.8566 -1.32978 4.9483 27.7336 4.94836 15.9863 GPRESSAVG: 332000 17.8651 -23.2205 26.8569 -25.0639 -1.25388 4.9952 26.2051 5.73984 14.4584 TIMING: 332000 CPU: 1110.59, 0.00323418/step Wall: 1110.59, 0.00323418/step, 4.19365 hours remaining, 231.636719 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: 332000 3966.6019 20440.6770 14476.3132 280.7323 -203016.7909 2350.1760 0.0000 0.0000 52048.8277 -109453.4628 299.1253 -161502.2905 -109102.7855 299.2802 -168.8786 -134.1321 761872.4434 10.3414 10.3565 PRESSURE: 332200 -179.814 84.299 41.7168 84.2985 104.304 61.4617 41.7161 61.4627 -260.796 GPRESSURE: 332200 -97.8919 203.311 -33.4881 63.9443 140.163 37.3635 72.5136 99.2988 -295.314 PRESSAVG: 332200 47.6554 -8.24785 14.8115 -8.24786 -61.7967 67.2202 14.8115 67.2203 3.08128 GPRESSAVG: 332200 48.1327 -4.88015 13.6922 -7.47848 -62.696 66.2902 16.0044 67.7714 3.60888 TIMING: 332200 CPU: 1111.23, 0.00321479/step Wall: 1111.23, 0.00321479/step, 4.16833 hours remaining, 231.636719 MB of memory in use. ENERGY: 332200 4061.5830 20459.0561 14456.8350 261.6942 -203015.1170 2318.5596 0.0000 0.0000 52087.8382 -109369.5511 299.3495 -161457.3893 -109001.2741 299.5266 -112.1020 -84.3478 762607.5186 -3.6867 -3.6515 LDB: ============= START OF LOAD BALANCING ============== 1123.66 LDB: ============== END OF LOAD BALANCING =============== 1123.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1123.66 LDB: ============= START OF LOAD BALANCING ============== 1123.98 LDB: Largest compute 7034 load 0.035666 is 18.3% of average load 0.195045 LDB: Average compute 0.004411 is 2.3% of average load 0.195045 LDB: TIME 1123.98 LOAD: AVG 0.195045 MAX 0.213366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.504 MB LDB: TIME 1123.98 LOAD: AVG 0.195045 MAX 0.213366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.504 MB LDB: TIME 1123.98 LOAD: AVG 0.195045 MAX 0.213366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.504 MB LDB: ============== END OF LOAD BALANCING =============== 1123.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1123.99 PRESSURE: 332400 405.165 -235.407 226.744 -235.407 -65.217 -213.583 226.744 -213.583 339.775 GPRESSURE: 332400 297.256 -203.633 185.154 -208.962 66.0014 -165.987 196.428 -153.259 406.827 PRESSAVG: 332400 20.4154 28.308 39.893 28.308 -14.7459 14.291 39.893 14.291 -6.74488 GPRESSAVG: 332400 19.8795 23.9625 41.1213 27.3534 -13.2525 14.2803 40.5659 12.9494 -7.33444 TIMING: 332400 CPU: 1111.88, 0.00326285/step Wall: 1111.88, 0.00326285/step, 4.23047 hours remaining, 229.957031 MB of memory in use. ENERGY: 332400 3937.9220 20570.3751 14418.1179 263.6604 -203192.9127 2435.9938 0.0000 0.0000 52075.9395 -109490.9040 299.2811 -161566.8435 -109128.8072 299.6680 226.5742 256.6948 760164.0277 -0.3585 -0.2358 PRESSURE: 332600 -203.62 14.2954 -107.678 14.2956 144.042 20.6328 -107.678 20.6349 -390.549 GPRESSURE: 332600 -159.347 14.3039 -103.879 87.7519 91.8681 -4.65636 -121.072 189.445 -287.596 PRESSAVG: 332600 76.8021 -37.5021 -36.4038 -37.5022 -51.3053 26.9212 -36.4039 26.9212 8.87604 GPRESSAVG: 332600 77.0146 -36.3786 -36.2362 -34.7194 -52.5415 26.0141 -38.0358 29.4584 9.87235 TIMING: 332600 CPU: 1112.51, 0.00315086/step Wall: 1112.51, 0.00315086/step, 4.0851 hours remaining, 230.359375 MB of memory in use. ENERGY: 332600 3906.1745 20589.1101 14483.0477 244.6431 -203081.4919 2427.1001 0.0000 0.0000 51914.3354 -109517.0810 298.3524 -161431.4164 -109163.7882 298.9109 -150.0422 -118.3583 761770.5208 11.4576 11.4485 PRESSURE: 332800 -152.738 141.471 239.515 141.471 -106.999 42.2139 239.515 42.2138 -78.9087 GPRESSURE: 332800 -179.794 71.3098 207.597 35.7297 3.44494 -77.7814 291.085 68.9908 -61.4175 PRESSAVG: 332800 74.2025 53.4612 -1.7596 53.4612 -54.5319 -0.475935 -1.75962 -0.47602 -42.3646 GPRESSAVG: 332800 75.6067 53.3749 -1.70445 52.692 -54.5138 -1.94249 -0.241273 -1.48988 -43.3469 TIMING: 332800 CPU: 1113.15, 0.00318701/step Wall: 1113.15, 0.00318701/step, 4.13179 hours remaining, 230.617188 MB of memory in use. ENERGY: 332800 4046.0425 20525.8140 14502.9389 255.9109 -203098.1614 2372.5867 0.0000 0.0000 51678.0619 -109716.8065 296.9945 -161394.8684 -109362.4219 298.7560 -112.8818 -79.2555 760635.9298 -7.5647 -7.4180 PRESSURE: 333000 65.2191 -230.214 -15.9302 -230.216 123.96 60.8763 -15.9295 60.8759 117.088 GPRESSURE: 333000 85.5305 -245.289 6.40502 -197.984 155.213 24.5002 5.17514 24.5702 153.636 PRESSAVG: 333000 45.7339 3.27644 38.7075 3.27641 -82.7395 -10.512 38.7074 -10.512 6.40049 GPRESSAVG: 333000 44.985 3.32412 36.5696 2.70323 -82.7326 -9.16547 39.5976 -10.4375 7.19177 TIMING: 333000 CPU: 1113.78, 0.00315461/step Wall: 1113.78, 0.00315461/step, 4.0896 hours remaining, 230.617188 MB of memory in use. ENERGY: 333000 3953.7210 20421.5322 14401.4487 241.4189 -203485.1341 2568.8601 0.0000 0.0000 52155.9752 -109742.1780 299.7411 -161898.1531 -109386.8250 297.8250 102.0888 131.4597 760072.9105 -10.2017 -10.1853 PRESSURE: 333200 69.9555 -15.6371 144.254 -15.6372 -173.142 -20.6414 144.254 -20.6426 -115.137 GPRESSURE: 333200 -1.59264 -51.7387 195.356 13.4994 -63.8835 -111.32 97.6832 40.3368 -66.0721 PRESSAVG: 333200 1.25592 -2.36547 3.43943 -2.36541 -19.076 7.28265 3.43943 7.28265 4.54195 GPRESSAVG: 333200 0.0853123 -1.26743 4.25723 -4.26888 -19.113 8.2691 1.64319 7.28884 5.39113 TIMING: 333200 CPU: 1114.41, 0.00315255/step Wall: 1114.41, 0.00315255/step, 4.08675 hours remaining, 230.617188 MB of memory in use. ENERGY: 333200 3976.6872 20540.5308 14373.7091 236.0409 -203190.0742 2535.2236 0.0000 0.0000 52059.4825 -109468.4001 299.1866 -161527.8826 -109115.4003 298.6134 -72.7745 -43.8494 760494.1283 -4.4261 -4.5455 PRESSURE: 333400 -299.661 -144.722 -220.936 -144.722 235.82 0.0237721 -220.937 0.023652 -85.4372 GPRESSURE: 333400 -168.009 -133.47 -283.075 -117.051 223.448 -66.4211 -161.796 -57.115 -104.687 PRESSAVG: 333400 23.8174 12.9757 47.959 12.9757 -38.5221 17.9794 47.959 17.9794 -4.04478 GPRESSAVG: 333400 24.5494 14.7486 48.6983 12.1358 -37.386 17.8581 47.8464 18.1136 -6.04223 TIMING: 333400 CPU: 1115.04, 0.00314266/step Wall: 1115.04, 0.00314266/step, 4.07376 hours remaining, 230.617188 MB of memory in use. ENERGY: 333400 4060.4703 20489.4264 14384.1281 223.3122 -203100.6359 2531.8181 0.0000 0.0000 52252.4765 -109159.0042 300.2957 -161411.4808 -108797.2798 299.7261 -49.7593 -16.4159 762038.7639 -6.2498 -6.2929 PRESSURE: 333600 171.405 63.2049 -122.265 63.2046 307.492 -222.682 -122.266 -222.681 -318.788 GPRESSURE: 333600 303.789 66.74 -152.351 66.2355 248.51 -211.492 -88.9534 -342.475 -283.152 PRESSAVG: 333600 95.2134 -61.5864 -0.60378 -61.5864 -56.956 -36.3488 -0.603771 -36.3487 -1.02989 GPRESSAVG: 333600 95.5892 -64.0618 -0.349045 -59.8701 -57.5527 -35.6673 -1.62329 -37.0114 -0.464334 TIMING: 333600 CPU: 1115.67, 0.00314299/step Wall: 1115.67, 0.00314299/step, 4.07401 hours remaining, 230.617188 MB of memory in use. ENERGY: 333600 4031.8130 20689.1233 14419.1945 245.4681 -203259.8406 2390.9288 0.0000 0.0000 52225.6700 -109257.6428 300.1416 -161483.3128 -108896.1024 300.0293 53.3694 89.7156 759413.4087 12.4092 12.5240 PRESSURE: 333800 183.218 -93.9472 -69.7884 -93.9478 74.7724 -57.225 -69.7893 -57.2251 516.02 GPRESSURE: 333800 222.428 -64.2615 -78.7673 -57.3058 41.7791 29.8106 -24.6639 -217.809 587.15 PRESSAVG: 333800 35.2959 -1.75448 -11.4873 -1.75452 -59.1182 -7.38339 -11.4874 -7.38344 -2.34015 GPRESSAVG: 333800 34.8176 -1.26113 -11.1877 -1.68969 -59.9189 -7.46249 -11.4949 -6.99852 -0.71088 TIMING: 333800 CPU: 1116.3, 0.00313917/step Wall: 1116.3, 0.00313917/step, 4.06889 hours remaining, 230.617188 MB of memory in use. ENERGY: 333800 4012.2850 20465.9539 14459.9715 262.0491 -203483.4551 2864.0622 0.0000 0.0000 52282.6837 -109136.4496 300.4693 -161419.1333 -108770.9661 299.7676 258.0036 283.7860 761775.6525 -8.7208 -8.6040 PRESSURE: 334000 294.509 -151.262 -306.483 -151.262 3.98416 -219.838 -306.483 -219.837 -150.061 GPRESSURE: 334000 247.051 -195.292 -296.147 -89.7163 94.6943 -189.626 -66.5401 -78.8621 -94.143 PRESSAVG: 334000 80.9602 -26.113 3.5363 -26.113 -97.1436 -8.7687 3.53628 -8.76866 -12.2805 GPRESSAVG: 334000 80.414 -26.5708 2.94574 -26.0683 -97.0603 -7.92051 5.60996 -9.15047 -12.4401 TIMING: 334000 CPU: 1116.92, 0.00312327/step Wall: 1116.92, 0.00312327/step, 4.0481 hours remaining, 230.820312 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: 334000 3974.4002 20520.3150 14423.9726 255.9720 -203250.3956 2421.9719 0.0000 0.0000 52363.1556 -109290.6082 300.9318 -161653.7638 -108919.5322 299.7286 49.4774 82.5341 761087.6783 -9.4880 -9.6955 PRESSURE: 334200 28.3141 6.85751 105.712 6.85552 -31.6459 104.193 105.711 104.193 -762.614 GPRESSURE: 334200 -6.39496 -53.9492 34.6109 -31.2443 1.66181 118.793 109.014 117.746 -686.597 PRESSAVG: 334200 17.8425 -48.8273 13.2482 -48.8272 -29.6239 65.5551 13.2483 65.5551 4.72616 GPRESSAVG: 334200 16.054 -48.3364 12.558 -49.9343 -27.7228 64.7511 13.6436 66.3441 4.72497 TIMING: 334200 CPU: 1117.54, 0.00312521/step Wall: 1117.54, 0.00312521/step, 4.05045 hours remaining, 230.820312 MB of memory in use. ENERGY: 334200 4074.0774 20518.8051 14502.0226 244.3435 -203016.6378 2383.8908 0.0000 0.0000 51976.0056 -109317.4927 298.7068 -161293.4983 -108959.4179 299.5317 -255.3152 -230.4435 761587.9339 -2.3518 -2.3146 PRESSURE: 334400 -552.01 65.5066 48.2813 65.5071 -427.72 27.5015 48.2807 27.5012 -286.163 GPRESSURE: 334400 -446.082 109.803 0.462422 -80.9385 -389.288 135.089 42.5124 85.9799 -343.331 PRESSAVG: 334400 -5.22722 -31.7506 6.49345 -31.7507 5.34323 52.6582 6.49352 52.6582 -14.7106 GPRESSAVG: 334400 -2.03159 -32.9312 6.78389 -31.4027 3.24987 53.6033 7.31309 51.652 -15.0315 TIMING: 334400 CPU: 1118.18, 0.00315101/step Wall: 1118.18, 0.00315101/step, 4.0837 hours remaining, 230.820312 MB of memory in use. ENERGY: 334400 4109.4088 20533.1610 14396.2877 257.3605 -203200.0445 2352.0232 0.0000 0.0000 52209.1880 -109342.6153 300.0469 -161551.8033 -108974.1378 299.5857 -421.9643 -392.9002 763257.5206 -4.8649 -4.6044 PRESSURE: 334600 7.81069 -59.441 -172.87 -59.4411 -230.577 213.934 -172.87 213.934 -500.608 GPRESSURE: 334600 -13.9323 -1.61061 -95.7038 -90.5289 -176.705 183.676 -243.025 112.45 -456.858 PRESSAVG: 334600 -17.7994 -30.4686 -42.737 -30.4686 8.06316 62.0754 -42.737 62.0754 1.68989 GPRESSAVG: 334600 -19.048 -30.78 -41.8572 -30.0053 9.39597 61.1089 -44.9811 62.4199 1.31218 TIMING: 334600 CPU: 1118.8, 0.00314581/step Wall: 1118.8, 0.00314581/step, 4.0768 hours remaining, 230.820312 MB of memory in use. ENERGY: 334600 3896.8027 20477.3406 14464.6194 234.4352 -203102.3381 2516.3042 0.0000 0.0000 52207.2747 -109305.5614 300.0359 -161512.8360 -108933.2596 299.4162 -241.1247 -215.8318 763849.7613 -2.6821 -2.7800 PRESSURE: 334800 -321.989 -215.778 -88.9995 -215.778 -206.605 70.5886 -88.9993 70.5867 -399.414 GPRESSURE: 334800 -293.916 -159.019 -65.0246 -328.429 -186.94 75.0516 -78.7099 -64.3161 -362.555 PRESSAVG: 334800 9.7672 24.6882 14.4272 24.6882 8.68177 101.003 14.4272 101.003 -8.20719 GPRESSAVG: 334800 9.14848 26.499 12.8274 20.18 9.07256 100.758 17.2723 100.964 -8.42359 TIMING: 334800 CPU: 1119.44, 0.00317097/step Wall: 1119.44, 0.00317097/step, 4.10922 hours remaining, 230.820312 MB of memory in use. ENERGY: 334800 3996.3012 20513.0425 14488.0239 224.2733 -202671.6889 1919.9791 0.0000 0.0000 52302.0773 -109227.9916 300.5808 -161530.0689 -108864.4761 299.7589 -309.3360 -281.1371 763760.1034 3.4139 3.2658 PRESSURE: 335000 137.987 119.556 144.311 119.557 459.905 -179.596 144.31 -179.596 452.345 GPRESSURE: 335000 236.255 108.904 148.832 80.935 480.634 -200.413 108.855 -64.773 400.311 PRESSAVG: 335000 13.7076 21.1306 3.34739 21.1307 -22.4816 83.9496 3.34733 83.9496 -19.3856 GPRESSAVG: 335000 14.5603 19.7373 3.76227 26.0486 -23.2972 84.342 2.24045 84.8844 -19.2499 TIMING: 335000 CPU: 1120.06, 0.00313107/step Wall: 1120.06, 0.00313107/step, 4.05734 hours remaining, 230.820312 MB of memory in use. ENERGY: 335000 3982.0993 20529.5786 14466.7386 244.4481 -203447.1031 2970.9531 0.0000 0.0000 52022.4978 -109230.7875 298.9740 -161253.2854 -108867.9853 299.8324 350.0791 372.3999 763465.9900 -9.3865 -9.3289 PRESSURE: 335200 165.007 -289.179 63.0995 -289.179 -24.3807 108.55 63.0983 108.55 76.1712 GPRESSURE: 335200 140.312 -121.043 50.2343 -219.204 77.4939 194.763 95.5311 122.725 75.6734 PRESSAVG: 335200 50.9149 32.0945 22.3294 32.0944 -48.1837 6.25881 22.3294 6.25871 -1.81014 GPRESSAVG: 335200 51.1775 33.5291 23.6478 30.5904 -48.4016 5.58157 20.4935 6.47159 -1.56201 TIMING: 335200 CPU: 1120.69, 0.00314042/step Wall: 1120.69, 0.00314042/step, 4.06929 hours remaining, 230.820312 MB of memory in use. ENERGY: 335200 4029.4542 20496.6069 14462.4098 238.7579 -203319.8064 2521.7681 0.0000 0.0000 52240.3573 -109330.4522 300.2261 -161570.8095 -108969.0340 299.8735 72.2657 97.8265 761589.6032 0.3070 0.4046 PRESSURE: 335400 -26.1713 -33.2997 -27.5329 -33.2986 -173.531 242.918 -27.5327 242.917 181.536 GPRESSURE: 335400 -22.0657 130.164 -71.9382 29.8388 -116.163 137.729 -31.0218 194.961 216.391 PRESSAVG: 335400 -16.5669 39.9819 12.5185 39.982 -14.6888 52.5541 12.5185 52.5541 -31.8459 GPRESSAVG: 335400 -15.7966 38.6099 12.5883 40.4359 -14.4212 53.5529 12.3351 52.5762 -32.5991 TIMING: 335400 CPU: 1121.32, 0.00313999/step Wall: 1121.32, 0.00313999/step, 4.06855 hours remaining, 230.820312 MB of memory in use. ENERGY: 335400 4042.4882 20406.7644 14417.8851 242.4104 -203686.1584 3087.7963 0.0000 0.0000 52129.4673 -109359.3466 299.5888 -161488.8139 -108991.9104 299.6219 -6.0554 26.0541 762635.3925 -21.0339 -20.9390 PRESSURE: 335600 81.3805 -112.234 17.6059 -112.233 -125.852 -135.772 17.6066 -135.772 185.41 GPRESSURE: 335600 155.287 -147.233 21.0184 -33.1664 -113.262 -83.5836 9.67381 -170.544 180.951 PRESSAVG: 335600 33.5607 63.0539 36.2646 63.0538 -27.5205 45.7453 36.2645 45.7453 4.18178 GPRESSAVG: 335600 32.0212 62.1682 34.9196 63.4561 -28.0018 44.9289 37.3965 46.5313 5.96529 TIMING: 335600 CPU: 1121.96, 0.00317352/step Wall: 1121.96, 0.00317352/step, 4.11183 hours remaining, 230.820312 MB of memory in use. ENERGY: 335600 3979.3546 20417.8803 14467.7014 247.5168 -203432.7440 2620.3983 0.0000 0.0000 52277.0948 -109422.7977 300.4372 -161699.8926 -109054.5496 299.0558 46.9795 74.3253 761897.2086 3.4073 3.3282 PRESSURE: 335800 164.671 -121.277 49.8372 -121.278 385.305 108.23 49.8382 108.231 -86.5788 GPRESSURE: 335800 208.967 -55.0385 53.074 63.8381 361.665 77.791 118.057 101.544 -39.7827 PRESSAVG: 335800 101.541 4.2224 20.7964 4.22238 -59.7124 35.6014 20.7964 35.6015 -9.23495 GPRESSAVG: 335800 102.134 4.88303 22.2717 2.86202 -59.2748 33.1391 21.6171 35.2842 -10.4937 TIMING: 335800 CPU: 1122.59, 0.00317104/step Wall: 1122.59, 0.00317104/step, 4.10844 hours remaining, 230.820312 MB of memory in use. ENERGY: 335800 3890.4672 20430.9979 14421.5918 238.2556 -203506.2296 2715.4274 0.0000 0.0000 52138.5285 -109670.9612 299.6408 -161809.4897 -109308.3548 299.5643 154.4657 176.9499 760847.7805 10.8647 10.7886 PRESSURE: 336000 362.016 -2.59337 154.649 -2.59388 -9.37616 191.283 154.649 191.283 -79.4385 GPRESSURE: 336000 384.642 -20.0472 54.7596 19.8848 38.6021 201.208 93.4707 91.6122 -62.8896 PRESSAVG: 336000 57.6939 33.1341 47.9231 33.134 -38.1718 23.0355 47.9231 23.0355 19.9803 GPRESSAVG: 336000 56.7836 33.2956 45.9383 34.4043 -38.3705 26.2405 45.9732 20.0668 20.7745 TIMING: 336000 CPU: 1123.22, 0.00316306/step Wall: 1123.22, 0.00316306/step, 4.09793 hours remaining, 230.820312 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: 336000 3906.8879 20518.2279 14447.4965 218.2228 -203423.6520 2892.4355 0.0000 0.0000 52089.2976 -109351.0839 299.3579 -161440.3815 -108983.9945 299.4458 91.0671 120.1182 761607.3232 13.1675 13.0625 PRESSURE: 336200 162.457 -83.3643 -217.166 -83.3647 -37.619 -89.3557 -217.166 -89.3555 121.582 GPRESSURE: 336200 190.144 -121.453 -190.269 -169.863 -4.07733 -11.6871 -196.813 73.7352 123.305 PRESSAVG: 336200 4.13496 -9.60669 -9.94927 -9.6067 -29.8476 -26.9937 -9.94932 -26.9937 -7.68037 GPRESSAVG: 336200 5.54662 -7.95027 -9.13124 -10.4863 -30.3735 -27.28 -9.13412 -24.8547 -8.99962 TIMING: 336200 CPU: 1123.86, 0.00318851/step Wall: 1123.86, 0.00318851/step, 4.13072 hours remaining, 230.820312 MB of memory in use. ENERGY: 336200 4001.0194 20489.0830 14413.3692 229.2129 -203014.9982 2517.7381 0.0000 0.0000 52019.1929 -109345.3828 298.9550 -161364.5756 -108978.6829 299.2520 82.1398 103.1240 762618.6534 -11.1310 -11.2755 LDB: ============= START OF LOAD BALANCING ============== 1136.29 LDB: ============== END OF LOAD BALANCING =============== 1136.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1136.29 LDB: ============= START OF LOAD BALANCING ============== 1136.61 LDB: Largest compute 7070 load 0.035015 is 18.0% of average load 0.195020 LDB: Average compute 0.004412 is 2.3% of average load 0.195020 LDB: TIME 1136.61 LOAD: AVG 0.19502 MAX 0.216116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.863 MB LDB: TIME 1136.61 LOAD: AVG 0.19502 MAX 0.216116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.957 MB LDB: TIME 1136.61 LOAD: AVG 0.19502 MAX 0.216116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.957 MB LDB: ============== END OF LOAD BALANCING =============== 1136.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1136.62 PRESSURE: 336400 29.0371 -148.007 -181.259 -148.007 -318.166 -143.521 -181.26 -143.521 155.139 GPRESSURE: 336400 9.27251 -105.751 -154.741 -72.0637 -192.92 -72.3156 -71.1051 -156.414 130.173 PRESSAVG: 336400 17.705 -12.3016 -16.4749 -12.3016 13.5914 -1.75441 -16.4749 -1.75444 20.0841 GPRESSAVG: 336400 17.1846 -13.3284 -16.7852 -11.8562 13.5506 -2.56171 -15.6014 -1.90906 20.383 TIMING: 336400 CPU: 1124.51, 0.00326782/step Wall: 1124.51, 0.00326782/step, 4.23328 hours remaining, 229.820312 MB of memory in use. ENERGY: 336400 3950.4787 20631.8521 14461.4641 238.6220 -203351.7812 2561.8512 0.0000 0.0000 52152.6362 -109354.8767 299.7219 -161507.5129 -108989.5078 299.2382 -44.6634 -17.8249 762844.4361 17.1268 17.0394 PRESSURE: 336600 283.697 -107.716 10.8864 -107.715 -132.757 170.288 10.8869 170.288 192.804 GPRESSURE: 336600 339.765 -13.2169 8.54476 -170.508 -41.0379 241.419 -47.6519 133.815 133.999 PRESSAVG: 336600 43.3888 -14.906 -12.4541 -14.9061 -19.613 1.34922 -12.4541 1.34918 -3.63135 GPRESSAVG: 336600 42.7694 -13.2079 -12.541 -15.4721 -18.6656 1.76007 -11.1185 1.0857 -4.31054 TIMING: 336600 CPU: 1125.15, 0.00319756/step Wall: 1125.15, 0.00319756/step, 4.14208 hours remaining, 230.023438 MB of memory in use. ENERGY: 336600 3987.4327 20542.8525 14412.8905 247.4029 -203346.0286 2778.6440 0.0000 0.0000 52210.4178 -109166.3882 300.0540 -161376.8059 -108807.6617 299.2498 114.5814 144.2419 762127.9287 6.7148 6.5978 PRESSURE: 336800 -419.975 91.4101 -156.242 91.4105 -588.989 29.4967 -156.241 29.4958 -107.605 GPRESSURE: 336800 -410.582 148.63 -63.225 -28.6896 -523.353 53.991 -187.477 14.0266 -103.903 PRESSAVG: 336800 55.4015 -50.8771 38.057 -50.8771 -56.055 -8.15901 38.057 -8.15903 -2.55757 GPRESSAVG: 336800 54.4873 -53.7349 38.3742 -49.1051 -56.1098 -9.59726 36.738 -7.69876 -2.08032 TIMING: 336800 CPU: 1125.79, 0.00316104/step Wall: 1125.79, 0.00316104/step, 4.09461 hours remaining, 230.023438 MB of memory in use. ENERGY: 336800 4088.3042 20654.6706 14467.3010 258.5654 -202703.1165 2139.4002 0.0000 0.0000 51999.2800 -109095.5951 298.8406 -161094.8750 -108741.1164 299.6978 -372.1899 -345.9462 763876.3511 -1.0703 -1.2343 PRESSURE: 337000 280.499 170.773 151.003 170.773 -326.383 135.17 151.004 135.169 52.7872 GPRESSURE: 337000 327.677 28.5185 166.379 107.889 -218.756 111.638 98.9072 145.157 1.72942 PRESSAVG: 337000 65.8276 -8.86657 -52.9199 -8.86656 -35.0997 17.2701 -52.9199 17.2702 -13.3825 GPRESSAVG: 337000 65.8793 -8.64317 -52.975 -8.68899 -36.0306 18.7151 -51.5131 15.5363 -12.6014 TIMING: 337000 CPU: 1126.42, 0.00316575/step Wall: 1126.42, 0.00316575/step, 4.10053 hours remaining, 230.222656 MB of memory in use. ENERGY: 337000 4000.9267 20493.1645 14495.3620 241.8747 -203226.7393 2713.2587 0.0000 0.0000 52317.8576 -108964.2952 300.6714 -161282.1527 -108606.6386 300.4978 2.3008 36.8837 761952.7340 5.7818 5.7491 PRESSURE: 337200 152.33 -215.066 -75.7783 -215.066 124.312 168.45 -75.7793 168.451 -70.8721 GPRESSURE: 337200 158.442 -291.538 -85.0335 -318.647 169.845 235.505 -186.318 233.717 -19.3468 PRESSAVG: 337200 56.9207 -49.4353 1.45717 -49.4353 -14.9058 -27.8798 1.45715 -27.8797 11.8932 GPRESSAVG: 337200 56.7361 -48.4285 2.68555 -51.1017 -15.103 -27.4419 -1.03067 -28.4092 11.9228 TIMING: 337200 CPU: 1127.04, 0.00312836/step Wall: 1127.04, 0.00312836/step, 4.05192 hours remaining, 230.222656 MB of memory in use. ENERGY: 337200 4100.0558 20428.8128 14432.1808 230.0607 -203217.6268 2479.5954 0.0000 0.0000 52326.8023 -109220.1190 300.7229 -161546.9213 -108853.1942 300.1064 68.5898 102.9802 759339.0470 17.9694 17.8520 PRESSURE: 337400 226.001 191.152 224.635 191.152 -176.955 -193.235 224.635 -193.234 426.162 GPRESSURE: 337400 254.643 1.10353 206.79 168.732 -36.6811 -270.976 228.979 -64.4582 361.814 PRESSAVG: 337400 65.9068 -54.4088 45.4937 -54.4088 -96.9659 33.0098 45.4937 33.0098 -4.79602 GPRESSAVG: 337400 67.5762 -56.3712 46.4434 -54.0618 -98.5505 31.3131 45.1747 35.5104 -4.7617 TIMING: 337400 CPU: 1127.67, 0.00312482/step Wall: 1127.67, 0.00312482/step, 4.04716 hours remaining, 230.222656 MB of memory in use. ENERGY: 337400 3964.7060 20666.6150 14493.1256 232.0198 -203312.6519 2716.8983 0.0000 0.0000 51861.1341 -109378.1531 298.0467 -161239.2872 -109017.5202 299.5240 158.4026 193.2588 761226.6285 -11.9517 -11.9120 PRESSURE: 337600 -175.519 49.5863 -49.2031 49.5862 -192.745 139.386 -49.2029 139.385 206.429 GPRESSURE: 337600 -250.215 100.184 28.2554 18.0486 -58.1339 191.931 -160.555 34.3508 223.08 PRESSAVG: 337600 35.624 -61.4983 17.5729 -61.4983 -19.9826 32.0154 17.5729 32.0154 9.1029 GPRESSAVG: 337600 34.9724 -59.7609 15.5762 -61.6159 -18.1294 33.4915 20.4601 32.0626 8.31368 TIMING: 337600 CPU: 1128.3, 0.00316845/step Wall: 1128.3, 0.00316845/step, 4.10349 hours remaining, 230.222656 MB of memory in use. ENERGY: 337600 4012.6464 20452.2439 14497.9367 247.1194 -203514.1115 2485.9305 0.0000 0.0000 52365.6224 -109452.6122 300.9460 -161818.2346 -109080.2673 299.6155 -53.9452 -28.4228 761788.6261 8.2481 8.3855 PRESSURE: 337800 177.632 -12.7665 -103.804 -12.7656 113.183 207.425 -103.803 207.424 463.918 GPRESSURE: 337800 248.965 -64.9656 -147.756 -159.908 180.58 166.46 -91.0007 77.2698 391.809 PRESSAVG: 337800 12.5346 -41.3287 7.39221 -41.3287 0.407758 59.7687 7.39223 59.7686 1.71848 GPRESSAVG: 337800 14.1024 -43.4263 7.65999 -41.6771 -0.172304 58.5696 6.13833 57.4254 0.149424 TIMING: 337800 CPU: 1128.93, 0.00314536/step Wall: 1128.93, 0.00314536/step, 4.07342 hours remaining, 230.222656 MB of memory in use. ENERGY: 337800 3955.9756 20412.5702 14455.2967 269.7103 -203781.8156 2963.6796 0.0000 0.0000 52184.9180 -109539.6651 299.9074 -161724.5831 -109172.1265 299.6426 251.5776 273.7846 761102.0788 4.8869 4.6932 PRESSURE: 338000 -88.6361 -213.057 -204.58 -213.057 -528.848 -93.1999 -204.58 -93.2002 0.521564 GPRESSURE: 338000 -45.8138 -314.73 -299.274 -178.33 -485.986 -83.2425 -131.208 -13.8272 6.16815 PRESSAVG: 338000 68.1486 -19.3657 -3.34469 -19.3657 -21.2408 72.6474 -3.34469 72.6474 -12.7382 GPRESSAVG: 338000 67.5972 -19.8569 -2.68385 -19.0422 -21.266 71.739 -1.89671 75.5544 -12.1438 TIMING: 338000 CPU: 1129.56, 0.00314997/step Wall: 1129.56, 0.00314997/step, 4.07921 hours remaining, 230.253906 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: 338000 3971.3466 20473.2037 14383.8241 247.3459 -203334.4471 2580.7049 0.0000 0.0000 52067.9629 -109610.0590 299.2353 -161678.0218 -109245.0545 299.2998 -205.6540 -175.2104 762433.9879 11.3899 11.3958 PRESSURE: 338200 -149.053 -56.7027 -201.561 -56.7019 137.955 238.803 -201.56 238.804 293.307 GPRESSURE: 338200 -151.155 -22.3391 -238.848 -16.1297 256.559 196.404 -125.523 309.775 251.14 PRESSAVG: 338200 36.7924 -69.9626 12.3987 -69.9626 -78.101 2.90033 12.3987 2.90034 -8.71522 GPRESSAVG: 338200 36.3358 -69.5066 10.3787 -70.13 -78.0137 5.02549 14.7099 3.24774 -7.97118 TIMING: 338200 CPU: 1130.19, 0.00314149/step Wall: 1130.19, 0.00314149/step, 4.06806 hours remaining, 230.253906 MB of memory in use. ENERGY: 338200 3923.7373 20717.5341 14452.0497 239.5730 -203536.2293 2759.4906 0.0000 0.0000 51893.3381 -109550.5066 298.2317 -161443.8446 -109190.5689 299.3596 94.0697 118.8480 763104.4955 -16.6746 -16.5497 PRESSURE: 338400 72.4641 60.3855 48.2212 60.387 -234.23 20.4048 48.2211 20.4055 -304.822 GPRESSURE: 338400 124.45 -48.6421 72.0722 39.2965 -239.141 57.8309 41.6272 -29.5755 -274.801 PRESSAVG: 338400 46.6445 -7.25284 9.52522 -7.25295 -27.2435 10.0036 9.52518 10.0036 10.7857 GPRESSAVG: 338400 45.0612 -5.6396 11.4122 -8.33267 -26.8918 10.8521 4.95798 9.4503 11.4146 TIMING: 338400 CPU: 1130.82, 0.00314479/step Wall: 1130.82, 0.00314479/step, 4.07215 hours remaining, 230.253906 MB of memory in use. ENERGY: 338400 3978.2884 20598.9220 14425.5160 228.9815 -202813.8013 2222.4760 0.0000 0.0000 52212.9099 -109146.7075 300.0683 -161359.6174 -108783.7847 299.3763 -155.5295 -129.8306 762369.8975 10.0622 9.8613 PRESSURE: 338600 -82.8715 -109.172 -66.886 -109.173 -188.825 46.7729 -66.8865 46.772 423.248 GPRESSURE: 338600 -36.0852 29.2423 -31.9083 -37.5563 -222.9 25.8614 -62.9167 -5.87293 485.736 PRESSAVG: 338600 -14.8181 -28.4117 -19.4013 -28.4117 12.4009 36.4814 -19.4014 36.4813 31.4257 GPRESSAVG: 338600 -13.176 -30.0391 -20.3766 -25.0426 12.2718 36.4552 -17.8118 35.4126 29.7124 TIMING: 338600 CPU: 1131.45, 0.0031524/step Wall: 1131.45, 0.0031524/step, 4.08183 hours remaining, 230.253906 MB of memory in use. ENERGY: 338600 3945.8182 20494.5495 14480.8649 252.4365 -203505.8436 2731.1043 0.0000 0.0000 52282.0511 -109319.0191 300.4657 -161601.0703 -108951.4088 300.3013 50.5172 75.5835 762737.0014 9.6695 9.6028 PRESSURE: 338800 188.099 147.285 -17.5724 147.285 -305.976 50.011 -17.5722 50.0118 557.24 GPRESSURE: 338800 200.104 -46.1401 -18.8248 116.785 -252.727 67.24 113.159 97.8646 568.832 PRESSAVG: 338800 26.6958 -32.9919 25.861 -32.9919 -35.3265 43.0099 25.861 43.0098 14.4413 GPRESSAVG: 338800 26.2773 -33.9656 25.0452 -32.759 -36.0214 43.5837 26.1113 43.3732 14.9023 TIMING: 338800 CPU: 1132.08, 0.00313755/step Wall: 1132.08, 0.00313755/step, 4.06243 hours remaining, 230.253906 MB of memory in use. ENERGY: 338800 3936.5918 20557.0213 14428.1746 251.0912 -203097.8255 2579.4326 0.0000 0.0000 51968.0355 -109377.4784 298.6610 -161345.5138 -109023.3065 300.0009 146.4543 172.0696 761748.1399 1.9369 1.7194 PRESSURE: 339000 -137.21 -148.462 -68.6992 -148.462 80.1341 -138.986 -68.7006 -138.985 263.043 GPRESSURE: 339000 -28.0984 -172.601 25.5884 -144.61 100.917 -165.793 4.2138 -68.0966 198.977 PRESSAVG: 339000 -9.29123 10.2167 12.4796 10.2167 -5.95846 -32.3022 12.4796 -32.3021 -29.2922 GPRESSAVG: 339000 -9.49221 10.7023 14.1902 6.86461 -7.00264 -32.7034 12.8171 -33.4869 -28.0977 TIMING: 339000 CPU: 1132.7, 0.00312836/step Wall: 1132.7, 0.00312836/step, 4.05036 hours remaining, 230.253906 MB of memory in use. ENERGY: 339000 3999.1541 20545.6252 14476.0396 247.5664 -203394.4062 2436.1900 0.0000 0.0000 52216.7536 -109473.0774 300.0904 -161689.8310 -109119.1612 298.9614 68.6558 90.5986 760520.5400 -14.8473 -14.8642 PRESSURE: 339200 94.4849 146.582 -120.272 146.581 -437.353 -365.855 -120.272 -365.855 -44.2414 GPRESSURE: 339200 142.772 126.863 -209.333 162.747 -408.818 -454.359 -157.451 -205.715 -29.3897 PRESSAVG: 339200 17.2026 5.31667 16.2263 5.31666 -44.0676 -76.2465 16.2263 -76.2466 -18.9479 GPRESSAVG: 339200 16.6215 6.19436 13.3158 6.12083 -42.7324 -78.4052 18.1889 -75.5215 -19.0474 TIMING: 339200 CPU: 1133.33, 0.00315715/step Wall: 1133.33, 0.00315715/step, 4.08746 hours remaining, 230.253906 MB of memory in use. ENERGY: 339200 4053.1787 20283.7725 14423.4593 229.1637 -203643.9099 2835.3162 0.0000 0.0000 52068.8928 -109750.1266 299.2406 -161819.0195 -109391.2792 298.9350 -129.0364 -98.4789 761155.4750 -15.2710 -15.0528 PRESSURE: 339400 -209.468 43.4658 -207.399 43.4665 -75.0314 3.5645 -207.399 3.56404 -45.6601 GPRESSURE: 339400 -166.879 72.579 -191.431 -82.122 -53.4851 37.7097 -109.76 206.44 -52.9703 PRESSAVG: 339400 73.0721 -6.64842 -0.485924 -6.64839 -69.2559 -20.1852 -0.485963 -20.1853 0.0486426 GPRESSAVG: 339400 72.3775 -6.23067 2.12171 -6.72689 -67.7309 -17.6106 -2.59751 -19.0866 -0.939654 TIMING: 339400 CPU: 1133.97, 0.0031749/step Wall: 1133.97, 0.00317491/step, 4.11027 hours remaining, 230.253906 MB of memory in use. ENERGY: 339400 3954.2228 20258.1861 14413.7256 242.0144 -203475.1811 2484.4560 0.0000 0.0000 52366.9303 -109755.6459 300.9535 -162122.5762 -109383.6410 298.8641 -110.0533 -91.1116 761497.5790 1.2883 1.2356 PRESSURE: 339600 -30.1647 9.42734 3.14146 9.42769 132.923 130.27 3.14107 130.269 35.8071 GPRESSURE: 339600 58.864 93.9257 24.5944 43.3833 124.685 143.844 -86.6902 -1.752 46.4366 PRESSAVG: 339600 15.2146 -18.305 -20.253 -18.305 -15.9131 -15.9872 -20.2529 -15.9872 -7.42531 GPRESSAVG: 339600 16.5809 -20.1565 -20.9651 -18.9165 -17.0619 -16.8506 -19.4304 -18.1437 -7.62313 TIMING: 339600 CPU: 1134.61, 0.00318441/step Wall: 1134.61, 0.00318441/step, 4.12239 hours remaining, 230.253906 MB of memory in use. ENERGY: 339600 3965.9490 20362.1310 14469.9374 276.1306 -203643.9067 2850.2111 0.0000 0.0000 52096.2890 -109623.2585 299.3981 -161719.5475 -109270.8979 298.8472 46.1885 76.6617 761653.4340 -2.7079 -2.7014 PRESSURE: 339800 -392.879 -218.696 76.4604 -218.697 -501.76 2.34605 76.4615 2.34609 -582.493 GPRESSURE: 339800 -304.108 -136.664 -10.5638 -116.721 -468.251 48.6562 -0.853709 59.6524 -588.984 PRESSAVG: 339800 24.2662 -9.63183 -75.0136 -9.63181 15.2767 16.3729 -75.0136 16.3729 8.09318 GPRESSAVG: 339800 24.1181 -9.55494 -77.0246 -8.62952 15.5722 16.9352 -74.7157 17.1415 8.15895 TIMING: 339800 CPU: 1135.25, 0.00320419/step Wall: 1135.25, 0.00320419/step, 4.14782 hours remaining, 230.253906 MB of memory in use. ENERGY: 339800 3955.8186 20557.1565 14491.9254 257.2707 -202888.2806 2321.2821 0.0000 0.0000 51668.8094 -109636.0180 296.9414 -161304.8274 -109282.9580 298.8508 -492.3774 -453.7808 762093.4692 15.8787 15.9497 PRESSURE: 340000 -20.6978 279.098 270.36 279.098 -219.327 -92.8861 270.36 -92.8868 -531.72 GPRESSURE: 340000 -2.47032 353.594 301.19 205.205 -188.203 -51.8591 267.77 -121.011 -495.608 PRESSAVG: 340000 -3.18627 -29.602 -31.9245 -29.602 18.1979 -27.8795 -31.9245 -27.8795 28.8753 GPRESSAVG: 340000 -3.70246 -25.9267 -30.1622 -30.9021 18.4482 -28.0167 -31.8044 -28.1407 29.6214 TIMING: 340000 CPU: 1135.88, 0.003167/step Wall: 1135.88, 0.003167/step, 4.09951 hours remaining, 230.253906 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: 340000 4008.0059 20197.4289 14488.4749 262.2009 -203121.6174 2271.8223 0.0000 0.0000 52249.7814 -109643.9031 300.2802 -161893.6845 -109279.1341 299.1925 -257.2482 -228.7606 761937.3367 14.6290 14.7890 PRESSURE: 340200 31.7462 112.159 43.6368 112.159 -202.338 94.1525 43.6367 94.1529 103.947 GPRESSURE: 340200 -46.7479 8.63283 -56.7809 157.523 -7.22126 92.9404 87.2195 71.8747 78.1461 PRESSAVG: 340200 42.7834 -16.7503 -31.265 -16.7504 -64.9319 -5.73691 -31.265 -5.73688 -1.75505 GPRESSAVG: 340200 42.5377 -18.6417 -31.5823 -16.2858 -64.1312 -7.37102 -31.3149 -3.15916 -1.63419 TIMING: 340200 CPU: 1136.51, 0.00313328/step Wall: 1136.51, 0.00313328/step, 4.05569 hours remaining, 230.253906 MB of memory in use. ENERGY: 340200 3955.5707 20471.6856 14525.0024 243.2077 -203557.1154 2617.4434 0.0000 0.0000 52222.4680 -109521.7378 300.1232 -161744.2058 -109160.6530 298.9559 -22.2149 8.0590 760675.4231 -7.9679 -7.7425 LDB: ============= START OF LOAD BALANCING ============== 1148.93 LDB: ============== END OF LOAD BALANCING =============== 1148.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1148.93 LDB: ============= START OF LOAD BALANCING ============== 1149.24 LDB: Largest compute 7070 load 0.032694 is 16.8% of average load 0.195118 LDB: Average compute 0.004398 is 2.3% of average load 0.195118 LDB: TIME 1149.24 LOAD: AVG 0.195118 MAX 0.213354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.992 MB LDB: TIME 1149.24 LOAD: AVG 0.195118 MAX 0.213354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.195 MB LDB: TIME 1149.24 LOAD: AVG 0.195118 MAX 0.213354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.195 MB LDB: ============== END OF LOAD BALANCING =============== 1149.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1149.25 PRESSURE: 340400 -39.6806 125.881 -92.9732 125.882 -299.819 -155.024 -92.9733 -155.024 306.508 GPRESSURE: 340400 129.089 35.6858 -102.072 242.653 -340.442 -106.81 -12.4167 -142.895 255.747 PRESSAVG: 340400 76.9861 -7.74271 -13.5522 -7.7426 -69.0829 -26.3043 -13.5522 -26.3043 -4.81083 GPRESSAVG: 340400 78.8565 -9.4007 -13.2333 -6.51694 -70.3974 -27.2554 -13.9068 -26.4772 -5.27778 TIMING: 340400 CPU: 1137.14, 0.00318106/step Wall: 1137.14, 0.00318105/step, 4.11734 hours remaining, 230.953125 MB of memory in use. ENERGY: 340400 3883.6959 20455.8603 14449.8260 239.3657 -202989.8696 2274.1811 0.0000 0.0000 52201.1615 -109485.7789 300.0008 -161686.9404 -109122.3289 298.8698 -10.9974 14.7981 761654.6062 1.0308 1.0604 PRESSURE: 340600 -198.682 -208.319 114.72 -208.318 111.536 286.715 114.721 286.714 -270.669 GPRESSURE: 340600 -96.7959 -109.93 125.758 -226.154 121.979 389.489 -2.70215 210.044 -300.938 PRESSAVG: 340600 23.1653 -42.0616 1.40699 -42.0616 0.681221 11.6425 1.40702 11.6425 -19.14 GPRESSAVG: 340600 21.6293 -40.3632 2.08183 -42.2674 2.8909 14.1547 -0.844847 9.96287 -19.4428 TIMING: 340600 CPU: 1137.77, 0.00312377/step Wall: 1137.77, 0.00312378/step, 4.04303 hours remaining, 231.316406 MB of memory in use. ENERGY: 340600 3973.5467 20370.9278 14514.4942 250.5709 -203235.2394 2623.7468 0.0000 0.0000 51946.8410 -109555.1121 298.5392 -161501.9530 -109193.3569 299.1159 -119.2716 -91.9183 762485.7360 1.5689 1.6925 PRESSURE: 340800 51.8204 280.629 -78.1725 280.629 268.335 -204.524 -78.1722 -204.524 -366.565 GPRESSURE: 340800 145.395 226.308 -36.3319 222.775 274.998 -141.446 -182.179 -94.676 -380.069 PRESSAVG: 340800 -17.5074 -26.7808 -40.9243 -26.7808 33.0986 -33.2533 -40.9244 -33.2533 -7.46324 GPRESSAVG: 340800 -16.8255 -28.1084 -40.8526 -27.6558 31.9205 -34.3027 -40.1685 -33.3241 -6.63015 TIMING: 340800 CPU: 1138.39, 0.00313538/step Wall: 1138.39, 0.00313538/step, 4.05788 hours remaining, 231.550781 MB of memory in use. ENERGY: 340800 4042.0819 20484.2125 14483.3768 248.8712 -203530.4707 2974.5523 0.0000 0.0000 51855.1969 -109442.1790 298.0125 -161297.3760 -109080.6645 299.1194 -15.4699 13.4415 762091.1943 2.7093 2.8216 PRESSURE: 341000 50.2695 45.2169 -112.463 45.2166 -28.5162 -163.435 -112.463 -163.436 -93.799 GPRESSURE: 341000 -74.5525 117.957 -118.994 78.6865 108.901 -82.6269 -223.595 -53.4206 -15.92 PRESSAVG: 341000 -27.9452 -17.8236 -0.401051 -17.8237 -36.5295 -21.0767 -0.401101 -21.0767 -18.9627 GPRESSAVG: 341000 -26.3025 -18.4655 -1.62682 -16.6981 -37.8873 -21.3893 1.0776 -19.426 -19.1034 TIMING: 341000 CPU: 1139.03, 0.00315536/step Wall: 1139.03, 0.00315536/step, 4.08356 hours remaining, 231.550781 MB of memory in use. ENERGY: 341000 3994.4400 20369.8418 14439.1370 251.0981 -203153.3924 2645.0823 0.0000 0.0000 52142.5132 -109311.2800 299.6637 -161453.7932 -108959.3645 299.1041 -24.0152 6.1429 763225.1667 -27.8125 -27.7644 PRESSURE: 341200 -92.9332 212.821 -12.3481 212.82 -102.739 79.2315 -12.3481 79.2295 305.394 GPRESSURE: 341200 -40.3107 155.539 -80.2754 265.333 -64.3296 67.166 62.6016 61.6569 301.44 PRESSAVG: 341200 43.1181 -14.3218 -82.7808 -14.3217 6.34153 14.5478 -82.7808 14.5478 26.5014 GPRESSAVG: 341200 41.5706 -14.4507 -81.7136 -14.2032 8.33845 15.0341 -83.168 13.9884 26.4762 TIMING: 341200 CPU: 1139.65, 0.00313412/step Wall: 1139.65, 0.00313412/step, 4.0559 hours remaining, 231.550781 MB of memory in use. ENERGY: 341200 4059.8207 20326.5580 14492.7541 233.9237 -203356.6107 2819.6872 0.0000 0.0000 52216.6169 -109207.2499 300.0896 -161423.8668 -108836.5220 299.5768 36.5738 65.6000 761996.5456 25.3203 25.4617 PRESSURE: 341400 -190.899 -86.7573 38.1501 -86.7584 -45.3918 -49.9021 38.1494 -49.9004 -9.00482 GPRESSURE: 341400 -182.67 -122.236 37.7229 26.9805 -50.6788 -72.2663 88.4175 -44.0581 77.4706 PRESSAVG: 341400 -13.2062 -12.4006 23.8632 -12.4006 29.509 -43.7689 23.8632 -43.7689 -13.6785 GPRESSAVG: 341400 -13.6903 -10.6545 23.0667 -10.5803 29.4464 -43.6287 23.2833 -43.9172 -12.8533 TIMING: 341400 CPU: 1140.31, 0.0032832/step Wall: 1140.31, 0.0032832/step, 4.24864 hours remaining, 231.550781 MB of memory in use. ENERGY: 341400 3962.1335 20442.0599 14517.5127 247.4629 -203080.6857 2500.3095 0.0000 0.0000 52359.1750 -109052.0321 300.9089 -161411.2071 -108683.2010 299.5073 -81.7652 -51.9595 762659.1549 0.8748 0.9676 PRESSURE: 341600 -4.72102 37.0886 -180.999 37.0891 220.111 90.4595 -180.998 90.4597 -364.95 GPRESSURE: 341600 29.7971 -38.2601 -145.79 92.8846 200.268 150.374 -183.602 5.19162 -304.166 PRESSAVG: 341600 19.655 -22.1814 9.63215 -22.1815 -30.9168 10.5579 9.63221 10.558 15.4238 GPRESSAVG: 341600 20.4571 -22.3859 9.35167 -23.8689 -31.6736 10.6648 9.4436 10.206 15.1049 TIMING: 341600 CPU: 1140.94, 0.0031446/step Wall: 1140.94, 0.0031446/step, 4.06911 hours remaining, 231.550781 MB of memory in use. ENERGY: 341600 3976.8152 20466.6767 14483.1579 249.7266 -202970.0668 2573.3534 0.0000 0.0000 52053.8947 -109166.4422 299.1544 -161220.3369 -108809.1390 299.6640 -49.8535 -24.7001 763021.2920 1.3874 1.2961 PRESSURE: 341800 -6.42405 -166.046 -168.368 -166.046 -352.694 90.0802 -168.368 90.0807 -437.872 GPRESSURE: 341800 -45.5458 -118.51 -179.614 -193.824 -301.498 7.70979 -18.618 147.487 -361.126 PRESSAVG: 341800 26.4906 32.5238 -27.5098 32.5239 31.2508 -1.89269 -27.5098 -1.89271 -11.884 GPRESSAVG: 341800 25.8528 32.1949 -26.4654 33.7494 31.8909 -1.90872 -26.0546 0.268411 -10.9444 TIMING: 341800 CPU: 1141.56, 0.00311429/step Wall: 1141.56, 0.00311429/step, 4.02972 hours remaining, 231.550781 MB of memory in use. ENERGY: 341800 4016.2108 20453.1237 14495.7262 230.0782 -203310.3473 2680.5817 0.0000 0.0000 52241.6667 -109192.9601 300.2336 -161434.6268 -108822.5265 299.1928 -265.6631 -236.0568 763835.2716 15.2858 15.5998 PRESSURE: 342000 67.914 25.7204 192.293 25.7206 -103.392 -105.308 192.293 -105.307 180.721 GPRESSURE: 342000 77.8304 -131.704 220.968 52.6756 -61.7082 -112.178 3.89732 -109.957 197.921 PRESSAVG: 342000 12.2516 -21.8369 -2.90785 -21.8368 -11.4845 -9.53742 -2.90788 -9.53744 -3.35838 GPRESSAVG: 342000 12.2533 -23.7363 -4.3042 -23.0059 -10.6332 -9.90773 -4.53166 -10.5452 -4.12519 TIMING: 342000 CPU: 1142.19, 0.00312794/step Wall: 1142.19, 0.00312794/step, 4.04721 hours remaining, 231.550781 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: 342000 3953.9348 20465.7689 14516.4383 244.3794 -202996.1638 2263.6471 0.0000 0.0000 52196.8326 -109355.1627 299.9759 -161551.9954 -108994.9003 299.4666 48.4143 71.3477 762719.1856 -0.8638 -0.8350 PRESSURE: 342200 66.4956 -10.0847 76.5385 -10.0852 -134.462 133.616 76.539 133.617 215.892 GPRESSURE: 342200 72.9778 24.6257 126.821 86.4685 -128.765 126.518 -33.2248 178.794 293.564 PRESSAVG: 342200 70.1111 26.7507 -18.6215 26.7507 -34.1875 -48.5573 -18.6214 -48.5572 19.5757 GPRESSAVG: 342200 70.1126 28.9544 -16.7637 27.2353 -34.3238 -47.7289 -18.2309 -49.3222 19.5168 TIMING: 342200 CPU: 1142.82, 0.00315752/step Wall: 1142.82, 0.00315752/step, 4.08531 hours remaining, 231.550781 MB of memory in use. ENERGY: 342200 4019.2589 20379.9752 14487.5172 250.9293 -203052.3019 2423.7294 0.0000 0.0000 52125.3601 -109365.5319 299.5652 -161490.8920 -109014.5896 299.4012 49.3086 79.2590 761860.6434 18.4998 18.4352 PRESSURE: 342400 -261.832 -242.015 197.222 -242.014 -0.980506 128.12 197.223 128.119 -139.83 GPRESSURE: 342400 -261.389 -219.948 249.584 -253.468 71.8931 40.3331 348.898 99.4229 -126.307 PRESSAVG: 342400 -0.129265 -3.94724 -17.9509 -3.94719 -19.5558 60.5163 -17.9509 60.5162 1.15513 GPRESSAVG: 342400 0.332655 -6.52315 -19.8559 -3.5406 -20.252 59.7716 -19.236 62.5604 1.64728 TIMING: 342400 CPU: 1143.45, 0.0031392/step Wall: 1143.45, 0.0031392/step, 4.06143 hours remaining, 231.550781 MB of memory in use. ENERGY: 342400 4055.5773 20363.3528 14403.5666 275.9441 -203496.3962 2728.7888 0.0000 0.0000 52113.0637 -109556.1029 299.4945 -161669.1666 -109186.2752 299.0127 -134.2139 -105.2679 762245.6819 -6.1766 -6.0907 PRESSURE: 342600 -127.855 125.751 -2.32108 125.751 -177.225 -197.234 -2.32109 -197.234 -32.1719 GPRESSURE: 342600 -78.3036 132.965 -108.976 3.84844 -151.032 -215.195 -27.8107 -214.398 -4.76139 PRESSAVG: 342600 2.55581 34.6865 -26.9927 34.6865 15.1099 2.08458 -26.9928 2.08472 1.64567 GPRESSAVG: 342600 3.81876 36.5028 -27.3607 32.4442 15.1851 2.74544 -24.6679 0.26527 0.923556 TIMING: 342600 CPU: 1144.08, 0.00315172/step Wall: 1144.08, 0.00315172/step, 4.07745 hours remaining, 231.550781 MB of memory in use. ENERGY: 342600 4029.3474 20404.0925 14487.7274 277.9431 -203074.8213 2460.7420 0.0000 0.0000 51837.9431 -109577.0258 297.9134 -161414.9689 -109213.1711 298.5456 -112.4172 -78.0325 761945.0753 6.4371 6.6425 PRESSURE: 342800 36.5536 138.975 12.7702 138.975 -177.829 -214.927 12.77 -214.927 44.1784 GPRESSURE: 342800 21.6284 39.02 103.066 109.989 -136.944 -190.171 38.7437 -151.213 95.2947 PRESSAVG: 342800 -23.6418 1.85514 36.1826 1.85514 40.3759 -26.8506 36.1825 -26.8506 -0.201714 GPRESSAVG: 342800 -25.0763 3.02977 35.613 2.38922 39.8874 -25.4867 35.6552 -26.3765 1.80038 TIMING: 342800 CPU: 1144.71, 0.00314837/step Wall: 1144.71, 0.00314837/step, 4.07294 hours remaining, 231.550781 MB of memory in use. ENERGY: 342800 3986.6977 20390.4441 14405.1777 251.1673 -202724.2078 2409.3113 0.0000 0.0000 51900.9233 -109380.4863 298.2753 -161281.4096 -109018.4305 299.0385 -32.3656 -6.6736 762855.7657 5.5108 5.5371 PRESSURE: 343000 43.1292 -223.359 -147.548 -223.359 32.619 -15.1417 -147.549 -15.1424 -10.3831 GPRESSURE: 343000 84.6276 -190.832 -140.701 -166.281 67.0552 -23.5157 -49.2712 -121.726 -2.80517 PRESSAVG: 343000 -8.75035 -41.3988 -22.5566 -41.3989 10.9717 15.5854 -22.5567 15.5854 -5.35148 GPRESSAVG: 343000 -7.86336 -43.0888 -20.741 -40.9778 11.1323 12.9146 -23.1342 16.181 -7.3331 TIMING: 343000 CPU: 1145.33, 0.00312593/step Wall: 1145.33, 0.00312593/step, 4.04374 hours remaining, 231.550781 MB of memory in use. ENERGY: 343000 3913.7660 20323.1086 14431.7697 250.9084 -203254.8040 2677.2548 0.0000 0.0000 52184.5127 -109473.4839 299.9051 -161657.9966 -109103.4119 299.0155 21.7884 49.6259 762838.5896 -1.0434 -1.3547 PRESSURE: 343200 -122.906 -97.4023 176.61 -97.4022 -259.89 76.7522 176.611 76.7523 -703.354 GPRESSURE: 343200 -77.485 -112.355 169.187 -33.3378 -180.701 46.9119 28.2096 15.888 -742.382 PRESSAVG: 343200 47.5311 -29.9628 30.3763 -29.9628 -23.3443 47.0711 30.3763 47.0712 20.0836 GPRESSAVG: 343200 48.7147 -30.2209 29.7884 -29.3753 -24.0015 48.2974 30.708 47.0782 19.2414 TIMING: 343200 CPU: 1145.96, 0.00313332/step Wall: 1145.96, 0.00313332/step, 4.05313 hours remaining, 231.550781 MB of memory in use. ENERGY: 343200 4035.5020 20313.4019 14514.1134 237.1933 -203401.1573 2769.5914 0.0000 0.0000 51991.0475 -109540.3077 298.7933 -161531.3552 -109193.6788 298.5391 -362.0501 -333.5225 763900.5962 14.7568 14.6516 PRESSURE: 343400 -284.071 54.3486 157.948 54.3488 64.4025 -142.373 157.948 -142.372 -28.8864 GPRESSURE: 343400 -280.451 80.3946 154.112 -69.0745 165.738 -56.8554 90.4015 -135.838 -40.8691 PRESSAVG: 343400 -4.651 30.8018 2.9101 30.8018 25.6357 33.1202 2.91016 33.1202 12.1203 GPRESSAVG: 343400 -7.29083 31.1771 2.84683 30.393 26.7638 35.0269 0.855136 30.9795 12.6255 TIMING: 343400 CPU: 1146.59, 0.0031608/step Wall: 1146.59, 0.0031608/step, 4.08849 hours remaining, 231.550781 MB of memory in use. ENERGY: 343400 3913.4460 20586.2850 14459.6072 242.1951 -202904.6522 2564.1858 0.0000 0.0000 51734.2352 -109404.6977 297.3174 -161138.9329 -109044.9434 298.6059 -82.8517 -51.8608 762686.7200 11.0350 10.6995 PRESSURE: 343600 89.4001 196.311 262.445 196.312 -115.214 -249.383 262.444 -249.382 53.4856 GPRESSURE: 343600 103.071 186.626 302.105 102.107 -62.5724 -101.134 309.115 -270.158 83.9021 PRESSAVG: 343600 -6.02036 56.3756 -5.44067 56.3756 -32.2126 -54.5551 -5.44064 -54.5552 -8.65141 GPRESSAVG: 343600 -5.38413 56.9129 -3.59415 55.4613 -32.5194 -55.9969 -5.68889 -52.1459 -9.06852 TIMING: 343600 CPU: 1147.22, 0.00314703/step Wall: 1147.22, 0.00314703/step, 4.07051 hours remaining, 231.550781 MB of memory in use. ENERGY: 343600 3858.1467 20434.5826 14464.6683 253.6240 -203376.7051 2751.1206 0.0000 0.0000 51909.6307 -109704.9322 298.3254 -161614.5629 -109336.3666 298.5016 9.2239 41.4668 762146.3648 -15.6281 -15.6573 PRESSURE: 343800 -301.366 -218.873 -307.468 -218.872 -152.551 -84.6961 -307.468 -84.6976 -126.088 GPRESSURE: 343800 -317.382 -166.805 -304.042 -163.029 -121.11 -70.8231 -255.675 -51.4189 -73.9194 PRESSAVG: 343800 -0.947011 18.3769 -10.3375 18.3769 20.6658 -58.9056 -10.3375 -58.9056 -4.52072 GPRESSAVG: 343800 -0.475213 16.9249 -11.831 21.7801 21.4402 -60.3965 -10.7127 -59.46 -5.29917 TIMING: 343800 CPU: 1147.85, 0.00315381/step Wall: 1147.85, 0.00315381/step, 4.0791 hours remaining, 231.550781 MB of memory in use. ENERGY: 343800 3906.6868 20386.3882 14526.4202 240.2123 -203091.2148 2367.9063 0.0000 0.0000 52111.4999 -109552.1011 299.4855 -161663.6010 -109187.4142 298.6383 -193.3351 -170.8039 762683.6088 5.0660 5.2219 PRESSURE: 344000 194.076 -5.0442 212.539 -5.0445 9.19098 75.385 212.538 75.3847 -84.6269 GPRESSURE: 344000 160.17 75.1696 142.193 -53.6577 73.7544 46.3704 206.918 104.844 -38.2948 PRESSAVG: 344000 -23.2069 -23.1182 -3.39033 -23.1182 26.2029 36.8844 -3.3904 36.8844 16.0463 GPRESSAVG: 344000 -23.813 -22.1144 -2.22356 -24.0685 24.9059 39.7979 -3.332 37.016 17.9604 TIMING: 344000 CPU: 1148.48, 0.00313386/step Wall: 1148.48, 0.00313386/step, 4.05312 hours remaining, 231.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 344000 3963.5777 20395.6580 14422.9341 242.6172 -203399.1646 2648.6780 0.0000 0.0000 52011.0687 -109714.6310 298.9083 -161725.6997 -109355.0935 298.7812 39.5468 65.2098 760142.0468 6.3475 6.3511 PRESSURE: 344200 -473.999 -111.702 -82.3846 -111.702 -409.808 30.2289 -82.3844 30.2272 -243.753 GPRESSURE: 344200 -366.6 -113.746 -26.1139 -46.5483 -466.66 33.6428 -170.584 164.795 -208.151 PRESSAVG: 344200 17.7311 -27.5087 34.7086 -27.5088 -32.1812 -3.88632 34.7085 -3.88637 -8.67864 GPRESSAVG: 344200 17.6772 -28.3474 31.5456 -27.1353 -31.1044 -4.53145 36.814 -4.42128 -10.2856 TIMING: 344200 CPU: 1149.1, 0.00312587/step Wall: 1149.1, 0.00312587/step, 4.04262 hours remaining, 231.550781 MB of memory in use. ENERGY: 344200 3921.2800 20463.3243 14399.2916 230.4173 -203192.6224 2510.0405 0.0000 0.0000 51928.4060 -109739.8628 298.4333 -161668.2687 -109387.2128 298.4652 -375.8535 -347.1370 763906.3444 -7.7096 -7.9042 LDB: ============= START OF LOAD BALANCING ============== 1161.52 LDB: ============== END OF LOAD BALANCING =============== 1161.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1161.52 LDB: ============= START OF LOAD BALANCING ============== 1161.84 LDB: Largest compute 7034 load 0.035663 is 18.3% of average load 0.195139 LDB: Average compute 0.004405 is 2.3% of average load 0.195139 LDB: TIME 1161.84 LOAD: AVG 0.195139 MAX 0.215493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.352 MB LDB: TIME 1161.84 LOAD: AVG 0.195139 MAX 0.215493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.555 MB LDB: TIME 1161.84 LOAD: AVG 0.195139 MAX 0.215493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.555 MB LDB: ============== END OF LOAD BALANCING =============== 1161.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1161.85 PRESSURE: 344400 -71.1447 -121.385 -127.333 -121.384 -29.8594 58.164 -127.334 58.164 230.419 GPRESSURE: 344400 -50.2535 -91.6212 11.6868 -178.606 17.3486 66.5504 -110.617 67.8022 249.383 PRESSAVG: 344400 -74.1701 -17.5514 26.8271 -17.5514 28.5756 33.7652 26.827 33.7652 -8.2462 GPRESSAVG: 344400 -74.1681 -16.6297 30.2679 -19.6546 28.2561 33.8142 26.4833 34.2152 -7.63742 TIMING: 344400 CPU: 1149.74, 0.00319927/step Wall: 1149.74, 0.00319927/step, 4.13737 hours remaining, 231.320312 MB of memory in use. ENERGY: 344400 3914.6105 20388.1388 14465.8930 268.1791 -203607.4554 2528.4731 0.0000 0.0000 51988.3210 -110053.8401 298.7776 -162042.1610 -109684.8224 298.4061 43.1384 72.1593 760890.9161 -17.9469 -17.8498 PRESSURE: 344600 -7.35766 141.526 -330.839 141.527 227.964 -54.6024 -330.838 -54.6025 -208.591 GPRESSURE: 344600 48.3698 170.348 -293.158 66.5114 210.596 -205.024 -238.954 -85.1875 -167.738 PRESSAVG: 344600 -5.02658 -19.551 23.2646 -19.551 -7.42678 -29.4115 23.2645 -29.4115 -4.3792 GPRESSAVG: 344600 -5.6206 -19.545 22.6414 -19.658 -6.33073 -32.021 22.2644 -27.9878 -4.25845 TIMING: 344600 CPU: 1150.37, 0.00313778/step Wall: 1150.37, 0.00313778/step, 4.05767 hours remaining, 231.722656 MB of memory in use. ENERGY: 344600 4020.3390 20285.3763 14382.3992 228.6930 -203504.3919 2691.6686 0.0000 0.0000 52061.7965 -109834.1195 299.1999 -161895.9159 -109476.7267 298.0434 4.0051 30.4092 761665.1489 -5.6109 -5.4033 PRESSURE: 344800 57.7282 -86.4542 43.8883 -86.4545 138.509 224.335 43.8876 224.334 -55.2074 GPRESSURE: 344800 73.0087 -107.198 33.3759 39.7996 228.189 198.137 70.9651 275.576 -82.1088 PRESSAVG: 344800 13.7311 -19.4106 4.23003 -19.4106 11.4014 -19.4926 4.23006 -19.4926 -5.79574 GPRESSAVG: 344800 13.6519 -19.6467 3.43744 -18.9992 10.926 -17.4548 5.42541 -21.0956 -4.82409 TIMING: 344800 CPU: 1151, 0.00313794/step Wall: 1151, 0.00313794/step, 4.0577 hours remaining, 231.722656 MB of memory in use. ENERGY: 344800 3971.3898 20459.9032 14420.8126 232.5139 -203198.3261 2549.8578 0.0000 0.0000 51857.1809 -109706.6678 298.0239 -161563.8487 -109353.4663 298.5810 47.0099 73.0297 760926.3437 6.4456 6.5846 PRESSURE: 345000 -214.017 94.8165 54.0079 94.8161 56.4144 180.947 54.0079 180.946 -198.489 GPRESSURE: 345000 -119.316 49.2407 -12.792 66.1068 56.0234 264.131 81.8359 99.156 -214.733 PRESSAVG: 345000 -10.7746 -9.59726 -24.5578 -9.59724 -8.69049 -47.5147 -24.5577 -47.5148 -23.2397 GPRESSAVG: 345000 -9.14222 -8.19692 -24.6002 -9.68408 -8.92937 -46.5444 -25.3425 -46.0853 -24.9134 TIMING: 345000 CPU: 1151.63, 0.00314296/step Wall: 1151.63, 0.00314296/step, 4.06402 hours remaining, 231.722656 MB of memory in use. ENERGY: 345000 3958.2870 20500.9384 14445.5979 231.1626 -203118.2390 2361.4142 0.0000 0.0000 52022.8353 -109598.0037 298.9759 -161620.8391 -109234.1749 298.5565 -118.6973 -92.6753 761433.4294 -14.2349 -14.3283 PRESSURE: 345200 -203.26 -24.7412 -126.556 -24.7415 55.3519 62.9287 -126.556 62.9291 -90.5951 GPRESSURE: 345200 -102.275 -29.4804 -7.4627 16.7538 61.6162 110.866 -183.486 49.0508 -100.501 PRESSAVG: 345200 19.8444 -16.1685 21.4822 -16.1686 7.06071 14.3073 21.4821 14.3073 -0.0112182 GPRESSAVG: 345200 17.6595 -18.1565 20.8539 -13.8494 7.39775 15.527 22.2132 13.9396 1.48324 TIMING: 345200 CPU: 1152.25, 0.00314335/step Wall: 1152.25, 0.00314335/step, 4.06436 hours remaining, 231.722656 MB of memory in use. ENERGY: 345200 3904.4392 20340.8942 14480.9486 247.4188 -203376.2572 2719.4354 0.0000 0.0000 52193.2208 -109489.9002 299.9552 -161683.1210 -109129.6513 298.7079 -79.5012 -47.0533 761041.6343 8.9646 8.8468 PRESSURE: 345400 -25.1714 -47.6876 132.332 -47.687 -74.3613 -51.396 132.333 -51.396 -255.087 GPRESSURE: 345400 -17.8811 -73.3402 -4.80196 96.8014 -18.184 29.7365 264.858 -137.656 -233.847 PRESSAVG: 345400 -9.31822 -8.47287 -3.86621 -8.4729 64.6888 4.87926 -3.86629 4.87926 -1.25991 GPRESSAVG: 345400 -9.13803 -6.56393 -3.36007 -9.30981 64.701 3.00485 -4.60052 4.0898 -1.43252 TIMING: 345400 CPU: 1152.89, 0.00315607/step Wall: 1152.89, 0.00315607/step, 4.08062 hours remaining, 231.722656 MB of memory in use. ENERGY: 345400 3937.8908 20494.7389 14375.4044 260.8586 -202956.6777 2293.0252 0.0000 0.0000 52189.4462 -109405.3136 299.9335 -161594.7598 -109048.0596 299.8141 -118.2064 -89.9707 760815.5835 18.0369 18.0435 PRESSURE: 345600 -167.696 21.5147 182.596 21.5153 -509.067 37.1543 182.596 37.1548 60.9976 GPRESSURE: 345600 -154.588 141.322 256.983 -96.5896 -479.844 -6.17314 33.9427 5.92846 86.4961 PRESSAVG: 345600 45.7384 34.9154 3.76542 34.9154 -52.7155 -35.5134 3.76546 -35.5134 1.65927 GPRESSAVG: 345600 45.3192 34.9834 4.25855 35.5059 -52.2725 -34.8756 5.48342 -33.3603 1.92557 TIMING: 345600 CPU: 1153.52, 0.00315538/step Wall: 1153.52, 0.00315538/step, 4.07956 hours remaining, 231.722656 MB of memory in use. ENERGY: 345600 3963.0918 20326.7398 14404.0783 252.8513 -202880.7330 2112.0278 0.0000 0.0000 52235.9722 -109585.9720 300.2009 -161821.9442 -109219.3033 299.3445 -205.2552 -182.6455 762218.8343 -1.7726 -1.6759 PRESSURE: 345800 -152.622 18.5331 39.4564 18.5331 -134.46 -16.6933 39.4573 -16.6922 251.107 GPRESSURE: 345800 -77.2138 -58.5359 -51.6896 -57.0016 -68.7085 -29.0598 89.2479 -73.4055 185.416 PRESSAVG: 345800 39.9198 -39.2514 22.6069 -39.2514 -87.5732 -27.7468 22.607 -27.7469 12.6827 GPRESSAVG: 345800 42.1452 -40.4807 22.6332 -39.4266 -89.4942 -29.6627 23.3519 -28.4002 12.051 TIMING: 345800 CPU: 1154.15, 0.00314205/step Wall: 1154.15, 0.00314205/step, 4.06214 hours remaining, 231.722656 MB of memory in use. ENERGY: 345800 4037.1788 20537.4982 14422.5790 248.0623 -203217.6515 2449.8788 0.0000 0.0000 52087.9058 -109434.5485 299.3499 -161522.4543 -109087.9325 299.5882 -11.9917 13.1644 761739.5728 -11.6569 -11.7660 PRESSURE: 346000 -5.8885 148.135 -146.621 148.136 92.272 256.384 -146.621 256.383 -182.45 GPRESSURE: 346000 -76.1399 126.194 -71.8001 135.422 207.22 197.374 -74.4161 188.707 -143.579 PRESSAVG: 346000 -24.5458 21.4495 -52.2046 21.4495 12.3604 -2.39886 -52.2046 -2.39889 -18.7635 GPRESSAVG: 346000 -25.857 24.0862 -51.995 20.1289 13.3008 -0.488932 -54.1273 -2.95898 -17.9936 TIMING: 346000 CPU: 1154.77, 0.00314781/step Wall: 1154.77, 0.00314781/step, 4.06941 hours remaining, 231.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 346000 4004.2007 20439.9578 14488.2366 234.6638 -203550.2774 2673.4078 0.0000 0.0000 52003.0134 -109706.7972 298.8620 -161709.8106 -109354.1776 299.4469 -32.0220 -4.1665 762047.3685 -10.3163 -10.1833 PRESSURE: 346200 -161.011 -14.5888 219.503 -14.5886 -353.995 -68.3693 219.503 -68.3691 42.7958 GPRESSURE: 346200 -185.562 -36.7026 181.118 -25.235 -301.771 -131.117 107.733 -132.924 114.213 PRESSAVG: 346200 21.7268 58.3626 4.12013 58.3626 19.3374 -10.1015 4.12011 -10.1015 -0.491707 GPRESSAVG: 346200 20.2808 56.9373 4.07316 59.7127 20.1915 -11.1653 2.87698 -10.9196 -0.136476 TIMING: 346200 CPU: 1155.4, 0.00313467/step Wall: 1155.4, 0.00313467/step, 4.05226 hours remaining, 231.722656 MB of memory in use. ENERGY: 346200 4022.4556 20429.3787 14437.5464 227.9704 -203658.6803 2560.5152 0.0000 0.0000 52184.5408 -109796.2732 299.9053 -161980.8140 -109435.5460 299.2075 -157.4032 -124.3733 762362.0621 13.5242 13.4453 PRESSURE: 346400 313.359 26.8924 38.5335 26.8907 127.125 47.9337 38.5332 47.9343 547.984 GPRESSURE: 346400 418.392 -16.6192 7.62908 -35.4338 139.429 -82.3875 82.1392 76.179 540.899 PRESSAVG: 346400 34.9152 -21.2335 -10.662 -21.2334 -46.4126 -6.47084 -10.662 -6.47083 -2.87054 GPRESSAVG: 346400 37.0448 -21.5066 -10.23 -20.5608 -46.2401 -7.80499 -8.93274 -4.97976 -4.48056 TIMING: 346400 CPU: 1156.03, 0.00314612/step Wall: 1156.03, 0.00314612/step, 4.06689 hours remaining, 231.722656 MB of memory in use. ENERGY: 346400 3955.8708 20589.6855 14459.6190 253.4525 -203277.1129 2584.8311 0.0000 0.0000 51918.4738 -109515.1802 298.3762 -161433.6540 -109153.5092 299.2359 329.4891 366.2399 760704.3183 -4.7893 -4.5586 PRESSURE: 346600 -393.502 -51.1441 142.25 -51.1448 -212.234 -85.9482 142.25 -85.9476 -96.4262 GPRESSURE: 346600 -355.727 62.8874 98.3118 -15.3255 -194.551 -160.941 109.524 -125.698 -67.8216 PRESSAVG: 346600 28.6752 28.3705 24.5223 28.3705 -14.8324 -20.6811 24.5223 -20.6811 32.1329 GPRESSAVG: 346600 28.4173 27.3833 23.2469 27.8108 -15.7351 -18.4339 22.8497 -22.0493 33.0442 TIMING: 346600 CPU: 1156.66, 0.00316171/step Wall: 1156.66, 0.00316171/step, 4.08686 hours remaining, 231.722656 MB of memory in use. ENERGY: 346600 3957.8405 20366.3168 14421.3050 218.3059 -203272.8785 2482.4392 0.0000 0.0000 52157.7684 -109668.9026 299.7514 -161826.6710 -109299.1580 298.9361 -234.0539 -206.0331 761860.8813 15.3252 15.2421 PRESSURE: 346800 306.011 117.975 167.94 117.975 294.956 -119.223 167.94 -119.222 2.97589 GPRESSURE: 346800 309.563 185.318 158.295 117.819 308.952 -89.1154 57.6302 -14.7162 65.8588 PRESSAVG: 346800 -32.6838 -9.60707 -32.2555 -9.60711 34.1201 -13.6218 -32.2555 -13.6218 -29.1816 GPRESSAVG: 346800 -33.5435 -7.448 -31.3136 -9.02279 34.0387 -12.9838 -30.6911 -14.246 -28.0654 TIMING: 346800 CPU: 1157.3, 0.00317/step Wall: 1157.3, 0.00317/step, 4.0974 hours remaining, 231.722656 MB of memory in use. ENERGY: 346800 3925.5862 20368.2169 14417.6576 247.7215 -203225.9322 2623.7405 0.0000 0.0000 51983.0166 -109659.9929 298.7471 -161643.0095 -109307.1368 298.9961 201.3143 228.1245 761187.2997 -9.2484 -9.1901 PRESSURE: 347000 -293.944 -141.552 72.9319 -141.552 30.0215 35.4917 72.9319 35.491 -325.198 GPRESSURE: 347000 -284.686 -237.684 133.029 -162.421 80.9398 23.2725 66.7228 -62.6197 -294.685 PRESSAVG: 347000 22.1462 75.2871 23.6015 75.2872 -40.9487 -21.2358 23.6015 -21.2357 -13.2481 GPRESSAVG: 347000 20.2943 75.2834 24.1924 74.5605 -39.6116 -22.3907 23.8603 -20.6224 -13.3517 TIMING: 347000 CPU: 1157.93, 0.00314206/step Wall: 1157.93, 0.00314206/step, 4.06111 hours remaining, 231.722656 MB of memory in use. ENERGY: 347000 4018.1553 20383.6582 14400.1534 260.9556 -202901.4043 2320.7095 0.0000 0.0000 52019.2387 -109498.5337 298.9553 -161517.7724 -109139.7227 298.6538 -196.3735 -166.1437 761206.3377 -10.6836 -10.8897 PRESSURE: 347200 -183.862 -33.3901 45.6991 -33.3895 102.494 -11.0982 45.6993 -11.0985 -362.702 GPRESSURE: 347200 -76.1447 -22.0212 128.444 67.5658 -23.7749 -10.8587 89.8142 -4.86273 -262.48 PRESSAVG: 347200 -26.5067 70.9292 32.0257 70.9291 7.74326 16.721 32.0257 16.721 1.67934 GPRESSAVG: 347200 -25.4487 68.931 29.8737 71.8057 6.44389 15.8526 30.6138 18.268 1.87445 TIMING: 347200 CPU: 1158.56, 0.00315512/step Wall: 1158.56, 0.00315512/step, 4.07781 hours remaining, 231.722656 MB of memory in use. ENERGY: 347200 4002.3759 20591.6972 14421.4676 225.8484 -203154.1872 2571.2421 0.0000 0.0000 51723.8568 -109617.6992 297.2577 -161341.5560 -109261.4121 299.3621 -148.0229 -120.7999 763455.4461 -5.6947 -5.7101 PRESSURE: 347400 -337.714 115.198 230.762 115.198 -411.381 250.305 230.762 250.306 247.358 GPRESSURE: 347400 -242.399 80.0224 207.73 90.0175 -433.836 234.316 151.353 293.267 227.675 PRESSAVG: 347400 -9.16526 61.1572 20.1544 61.1572 -25.5827 12.4464 20.1544 12.4463 -26.8958 GPRESSAVG: 347400 -8.80081 61.5893 21.0672 61.1479 -25.356 14.3713 21.7259 9.1082 -26.9231 TIMING: 347400 CPU: 1159.2, 0.00319183/step Wall: 1159.2, 0.00319183/step, 4.12508 hours remaining, 231.722656 MB of memory in use. ENERGY: 347400 3962.1312 20477.8609 14405.5941 237.8572 -203387.3826 2517.4438 0.0000 0.0000 52171.8488 -109614.6466 299.8323 -161786.4954 -109248.0074 298.8810 -167.2458 -149.5199 762065.1911 -20.5479 -20.3600 PRESSURE: 347600 -10.3698 -183.176 35.7541 -183.176 -136.582 -455.762 35.7535 -455.761 -407.785 GPRESSURE: 347600 -83.1455 -131.807 52.7203 -269.811 11.5419 -465.099 -2.77965 -361.796 -389.978 PRESSAVG: 347600 54.6736 16.3133 93.2392 16.3133 -56.8744 1.38358 93.2392 1.3835 -37.3349 GPRESSAVG: 347600 54.7949 16.1963 94.7398 16.1752 -57.4365 1.47669 92.7147 3.24247 -36.9101 TIMING: 347600 CPU: 1159.83, 0.00316841/step Wall: 1159.83, 0.00316841/step, 4.09465 hours remaining, 231.722656 MB of memory in use. ENERGY: 347600 3992.4484 20618.1831 14434.8785 244.2737 -203147.4253 2455.6829 0.0000 0.0000 51896.5498 -109505.4089 298.2502 -161401.9587 -109151.7355 298.9134 -184.9123 -153.8607 762664.1149 -13.1786 -13.1839 PRESSURE: 347800 135.618 29.674 -26.662 29.6739 -402.892 39.1507 -26.6625 39.1516 215.925 GPRESSURE: 347800 149.908 -32.1008 -46.8958 22.3176 -249.989 45.6683 -16.5157 -58.4695 153.012 PRESSAVG: 347800 52.0877 -13.2421 -3.01041 -13.2421 -59.9431 10.8414 -3.0105 10.8414 -12.1317 GPRESSAVG: 347800 52.08 -11.5309 -3.56851 -13.5762 -59.5503 10.3693 -4.52604 11.5655 -12.7673 TIMING: 347800 CPU: 1160.47, 0.00318199/step Wall: 1160.47, 0.00318199/step, 4.11201 hours remaining, 231.722656 MB of memory in use. ENERGY: 347800 3962.2618 20296.6276 14446.9549 240.3027 -203484.0532 2669.1793 0.0000 0.0000 52187.8394 -109680.8874 299.9242 -161868.7269 -109318.9368 299.2642 -17.1166 17.6436 760721.0054 -6.6624 -6.7458 PRESSURE: 348000 -181.359 -277.331 170.15 -277.331 -272.655 135.875 170.15 135.875 -98.2155 GPRESSURE: 348000 -185.428 -226.455 155.919 -198.679 -210.307 116.298 282.361 62.2116 -68.8301 PRESSAVG: 348000 -1.49926 28.8577 10.7026 28.8577 -22.8398 -2.35559 10.7026 -2.35562 -17.1309 GPRESSAVG: 348000 -1.36688 29.0083 10.2845 29.1625 -22.8787 -2.64854 13.1386 -4.55471 -17.0966 TIMING: 348000 CPU: 1161.1, 0.00316496/step Wall: 1161.1, 0.00316496/step, 4.08983 hours remaining, 231.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 348000 3952.2367 20596.4898 14382.5737 272.4679 -203087.2148 2382.2296 0.0000 0.0000 51845.5994 -109655.6178 297.9574 -161501.2171 -109296.0814 298.8484 -184.0765 -154.8550 761957.7443 -13.8233 -13.7807 PRESSURE: 348200 -172.482 -77.685 18.9788 -77.685 -269.185 80.7512 18.9784 80.7511 9.72479 GPRESSURE: 348200 -138.865 -103.252 -48.0494 21.7432 -272.924 -2.40604 -60.5488 113.509 68.1451 PRESSAVG: 348200 13.8056 -3.72087 60.6411 -3.72089 15.4152 -20.6493 60.641 -20.6492 10.9815 GPRESSAVG: 348200 13.1933 -4.10282 60.377 -2.86353 15.0131 -22.9227 59.2222 -18.1016 12.0491 TIMING: 348200 CPU: 1161.74, 0.00321122/step Wall: 1161.74, 0.00321122/step, 4.14943 hours remaining, 231.722656 MB of memory in use. ENERGY: 348200 3976.1283 20440.8183 14455.3436 239.6325 -203330.3228 2391.8548 0.0000 0.0000 52012.7505 -109813.7947 298.9180 -161826.5452 -109439.1899 298.3070 -143.9807 -114.5479 763257.1576 13.4008 13.4185 LDB: ============= START OF LOAD BALANCING ============== 1174.16 LDB: ============== END OF LOAD BALANCING =============== 1174.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1174.16 LDB: ============= START OF LOAD BALANCING ============== 1174.48 LDB: Largest compute 7066 load 0.032763 is 16.8% of average load 0.195086 LDB: Average compute 0.004401 is 2.3% of average load 0.195086 LDB: TIME 1174.48 LOAD: AVG 0.195086 MAX 0.21505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.824 MB LDB: TIME 1174.48 LOAD: AVG 0.195086 MAX 0.21505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: TIME 1174.48 LOAD: AVG 0.195086 MAX 0.21505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: ============== END OF LOAD BALANCING =============== 1174.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1174.49 PRESSURE: 348400 -364.27 2.00625 6.52238 2.00645 -351.098 -14.5549 6.523 -14.5549 -520.115 GPRESSURE: 348400 -272.126 -42.5394 -45.0337 0.288746 -388.851 -29.3754 70.0972 34.8594 -502.522 PRESSAVG: 348400 -40.0971 -50.463 28.2737 -50.463 -1.4082 -9.1514 28.2737 -9.15148 -8.95844 GPRESSAVG: 348400 -38.6744 -50.1879 28.1958 -52.3382 -1.38207 -7.67918 29.5931 -11.0466 -10.5208 TIMING: 348400 CPU: 1162.39, 0.00322395/step Wall: 1162.39, 0.00322395/step, 4.16571 hours remaining, 231.132812 MB of memory in use. ENERGY: 348400 3961.1317 20439.2934 14479.1434 230.0757 -202961.4727 2295.6849 0.0000 0.0000 51963.3245 -109592.8191 298.6339 -161556.1436 -109229.0824 298.7710 -411.8278 -387.8329 762869.4098 -16.8213 -16.8591 PRESSURE: 348600 19.3528 103.255 264.035 103.255 -447.705 136.708 264.035 136.71 -88.9822 GPRESSURE: 348600 -16.945 120.323 229.746 76.5743 -300.115 106.259 219.426 116.591 -132.246 PRESSAVG: 348600 15.6265 10.7584 -29.1032 10.7583 -28.534 28.1231 -29.1032 28.123 22.3003 GPRESSAVG: 348600 14.1982 10.6944 -29.7476 12.3119 -29.3245 27.4654 -28.6543 28.1246 23.726 TIMING: 348600 CPU: 1163.02, 0.00316953/step Wall: 1163.02, 0.00316953/step, 4.09521 hours remaining, 231.132812 MB of memory in use. ENERGY: 348600 3998.5892 20465.1310 14418.3262 223.8636 -203309.8993 2528.9133 0.0000 0.0000 52083.3223 -109591.7537 299.3236 -161675.0760 -109226.1794 299.1672 -172.4448 -149.7686 762310.3156 3.1309 2.8666 PRESSURE: 348800 -31.3688 89.5978 -19.3798 89.5972 -109.678 -51.8377 -19.3799 -51.838 55.5157 GPRESSURE: 348800 56.8221 34.1342 25.5398 100.948 -126.054 -62.914 -67.1848 -145.242 69.1164 PRESSAVG: 348800 16.7264 53.6279 25.4823 53.6279 24.8736 57.5083 25.4823 57.5084 -13.8847 GPRESSAVG: 348800 16.6756 54.5679 25.6084 52.0808 26.0973 58.1679 24.7738 57.8268 -15.2605 TIMING: 348800 CPU: 1163.65, 0.00315639/step Wall: 1163.65, 0.00315639/step, 4.07806 hours remaining, 231.417969 MB of memory in use. ENERGY: 348800 3960.1161 20442.2163 14572.1193 254.3387 -203262.7603 2564.7078 0.0000 0.0000 51881.4180 -109587.8441 298.1632 -161469.2621 -109233.2619 298.3337 -28.5105 -0.0386 761956.8912 9.2385 9.1708 PRESSURE: 349000 -144.014 84.164 -75.5679 84.1636 -544.641 -64.2993 -75.5682 -64.3 -333.719 GPRESSURE: 349000 -207.422 132.8 -59.5467 67.3959 -500.395 -6.77834 29.752 -212.232 -228.04 PRESSAVG: 349000 22.3468 30.0755 -59.1516 30.0754 -2.66214 33.5712 -59.1516 33.5714 7.07636 GPRESSAVG: 349000 22.5052 28.7694 -59.0132 31.8244 -2.37162 35.3615 -59.9809 32.4633 7.02009 TIMING: 349000 CPU: 1164.29, 0.00317711/step Wall: 1164.29, 0.00317711/step, 4.10464 hours remaining, 231.417969 MB of memory in use. ENERGY: 349000 4001.3659 20523.6982 14444.0385 239.2805 -203062.9799 2420.9676 0.0000 0.0000 51978.7712 -109454.8580 298.7227 -161433.6292 -109089.4213 299.4125 -340.7914 -311.9524 761634.1888 8.9203 9.0512 PRESSURE: 349200 13.4792 -67.0497 39.9288 -67.0494 -291.366 -13.6061 39.9282 -13.6067 -66.1598 GPRESSURE: 349200 42.7766 68.0921 106.585 -200.692 -264.478 -50.447 120.605 25.7109 -43.8004 PRESSAVG: 349200 41.7855 -31.9463 57.7408 -31.9462 -34.1521 -9.68425 57.7409 -9.68421 4.2627 GPRESSAVG: 349200 42.875 -31.1466 58.2455 -33.6096 -35.9389 -10.5307 59.6588 -9.45153 5.40383 TIMING: 349200 CPU: 1164.92, 0.00315269/step Wall: 1164.92, 0.00315269/step, 4.07292 hours remaining, 231.417969 MB of memory in use. ENERGY: 349200 3946.5448 20609.6707 14342.9239 269.2983 -203320.0309 2551.1789 0.0000 0.0000 52056.4528 -109543.9614 299.1691 -161600.4142 -109182.0339 298.8968 -114.6823 -88.5005 761239.1288 3.9654 4.1133 PRESSURE: 349400 128.854 -113.483 321.212 -113.484 -140.294 -106.353 321.211 -106.352 247.907 GPRESSURE: 349400 138.68 -152.593 302.123 -50.9385 -74.3213 -82.0384 266.06 -44.7007 250.581 PRESSAVG: 349400 29.2386 -30.5107 -0.475686 -30.5107 -28.0603 -23.8737 -0.475603 -23.8737 7.79875 GPRESSAVG: 349400 28.409 -31.5741 -0.585814 -30.233 -26.9454 -25.5556 -3.33937 -21.2977 7.5827 TIMING: 349400 CPU: 1165.55, 0.00315352/step Wall: 1165.55, 0.00315352/step, 4.07382 hours remaining, 231.417969 MB of memory in use. ENERGY: 349400 3965.1639 20615.0921 14426.6646 245.9953 -203482.1096 2538.8477 0.0000 0.0000 52030.0911 -109660.2548 299.0176 -161690.3460 -109297.7262 299.0094 78.8222 104.9798 760487.8985 2.9924 3.0154 PRESSURE: 349600 47.3467 34.2898 -29.7224 34.2896 -477.248 -31.9178 -29.7222 -31.9168 28.7748 GPRESSURE: 349600 123.971 80.6985 -30.267 49.3132 -415.806 -31.0248 91.62 63.988 -10.624 PRESSAVG: 349600 11.8783 -17.2734 15.62 -17.2734 -42.5486 0.800946 15.62 0.800953 -10.0337 GPRESSAVG: 349600 10.7783 -17.0376 16.1638 -17.8153 -42.5204 2.81766 17.7054 -0.364031 -9.07422 TIMING: 349600 CPU: 1166.18, 0.00316387/step Wall: 1166.18, 0.00316387/step, 4.08702 hours remaining, 231.417969 MB of memory in use. ENERGY: 349600 4011.8432 20377.7934 14404.7651 254.8560 -203520.1107 2553.0078 0.0000 0.0000 52237.3422 -109680.5031 300.2087 -161917.8452 -109324.0626 299.0101 -133.7089 -100.8198 759809.4416 -13.5680 -13.6054 PRESSURE: 349800 -56.604 -73.91 -58.9643 -73.9108 -216.072 168.892 -58.9647 168.892 233.236 GPRESSURE: 349800 11.1071 -46.3391 -30.4151 18.8668 -131.136 240.896 -22.7193 114.262 165.527 PRESSAVG: 349800 4.98635 -29.7224 -28.3865 -29.7225 -25.42 17.5893 -28.3865 17.5893 -13.3378 GPRESSAVG: 349800 4.74261 -28.7247 -29.7538 -27.442 -25.115 16.9089 -28.6271 16.6836 -13.414 TIMING: 349800 CPU: 1166.81, 0.00314811/step Wall: 1166.81, 0.00314811/step, 4.06648 hours remaining, 231.488281 MB of memory in use. ENERGY: 349800 3983.0836 20366.1847 14459.9091 256.0481 -203386.8558 2595.0093 0.0000 0.0000 51976.7821 -109749.8389 298.7113 -161726.6210 -109387.0344 298.6290 -13.1470 15.1662 760624.3591 -11.2571 -11.2621 PRESSURE: 350000 186.267 -81.4272 68.245 -81.4265 198.504 145.799 68.2461 145.801 312.669 GPRESSURE: 350000 354.426 -159.24 75.7241 -88.0955 91.9195 42.6833 109.545 141.231 333.995 PRESSAVG: 350000 -15.2686 10.1393 -5.53405 10.1393 28.5371 14.5856 -5.534 14.5855 -1.05081 GPRESSAVG: 350000 -13.7263 10.3042 -2.49741 8.66098 26.8373 13.4454 -5.21033 15.5891 -1.17628 TIMING: 350000 CPU: 1167.44, 0.00316426/step Wall: 1167.44, 0.00316426/step, 4.08716 hours remaining, 231.488281 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: 350000 3985.5183 20373.6617 14508.9021 258.6119 -203622.8583 2754.8998 0.0000 0.0000 51884.2513 -109857.0133 298.1795 -161741.2646 -109484.5510 298.3200 232.4804 260.1136 758867.7348 4.0725 3.9782 PRESSURE: 350200 -71.6191 85.3259 -86.1534 85.325 -31.5567 -252.016 -86.1535 -252.017 -421.027 GPRESSURE: 350200 -56.0609 39.4486 -191.459 49.6178 28.4208 -269.476 -127.877 -131.325 -417.211 PRESSAVG: 350200 59.3058 5.9365 55.3098 5.93651 -79.4478 18.3067 55.3097 18.3067 -18.5302 GPRESSAVG: 350200 59.1371 5.4958 53.4826 3.64623 -79.68 18.0837 52.6881 17.0105 -18.2575 TIMING: 350200 CPU: 1168.08, 0.00319103/step Wall: 1168.08, 0.00319103/step, 4.12157 hours remaining, 231.488281 MB of memory in use. ENERGY: 350200 4054.8272 20480.5230 14425.1913 252.4249 -203362.1821 2424.7706 0.0000 0.0000 51878.8215 -109845.6236 298.1483 -161724.4451 -109486.6514 298.2698 -174.7343 -148.2838 759834.5037 -12.8907 -12.9335 PRESSURE: 350400 -28.1018 147.505 59.1139 147.505 40.4108 -14.1278 59.1137 -14.1284 24.3892 GPRESSURE: 350400 -2.09016 70.2355 -13.7431 47.9738 110.341 -43.3243 99.0041 -4.176 22.4682 PRESSAVG: 350400 -2.36135 -33.3624 -3.50973 -33.3624 22.0287 23.6765 -3.50977 23.6766 -22.3767 GPRESSAVG: 350400 -2.24898 -33.488 -3.48332 -31.3873 23.1645 24.5361 -0.547216 23.1374 -23.3989 TIMING: 350400 CPU: 1168.72, 0.00320383/step Wall: 1168.72, 0.00320383/step, 4.13792 hours remaining, 231.488281 MB of memory in use. ENERGY: 350400 4013.2150 20468.4709 14435.5018 260.0969 -204125.9228 2986.1307 0.0000 0.0000 51984.9709 -109977.5367 298.7583 -161962.5076 -109625.0410 298.6935 12.2327 43.5728 759064.8820 -0.9031 -0.8278 PRESSURE: 350600 -452.046 42.5754 209.884 42.5746 -82.6681 13.8738 209.883 13.8736 -386.391 GPRESSURE: 350600 -418.911 50.1529 148.273 7.26629 -97.8619 -66.6799 204.038 44.4826 -330.485 PRESSAVG: 350600 -23.4075 -30.7744 -18.3799 -30.7743 15.399 -3.80464 -18.38 -3.8046 28.2308 GPRESSAVG: 350600 -22.3209 -30.0326 -18.352 -30.8757 13.747 -4.95453 -19.6183 -2.65798 28.7304 TIMING: 350600 CPU: 1169.36, 0.00318063/step Wall: 1169.36, 0.00318063/step, 4.10778 hours remaining, 231.488281 MB of memory in use. ENERGY: 350600 3975.0049 20346.7781 14486.2731 257.1512 -203816.7346 2792.9122 0.0000 0.0000 51882.6931 -110075.9219 298.1706 -161958.6150 -109714.1772 298.5343 -307.0350 -282.4193 763325.0744 6.7408 6.7188 PRESSURE: 350800 -22.2074 -145.547 -18.8474 -145.546 -274.803 74.8466 -18.8485 74.8473 -74.2616 GPRESSURE: 350800 9.45687 10.3656 7.73457 -113.021 -194.676 60.6591 149.867 26.123 -101.333 PRESSAVG: 350800 14.1557 1.79371 18.2119 1.79376 -9.88122 -24.3054 18.2119 -24.3055 -16.9951 GPRESSAVG: 350800 13.4637 3.9015 19.4138 1.84497 -9.15829 -22.36 18.0702 -27.0821 -17.1226 TIMING: 350800 CPU: 1169.99, 0.00314187/step Wall: 1169.99, 0.00314187/step, 4.05755 hours remaining, 231.488281 MB of memory in use. ENERGY: 350800 4043.6019 20577.0750 14437.4828 253.7658 -203922.4427 2711.6972 0.0000 0.0000 51938.6684 -109960.1517 298.4922 -161898.8201 -109600.3014 298.3881 -123.7573 -95.5174 761356.5937 -4.2402 -4.2724 PRESSURE: 351000 132.193 264.554 51.0149 264.554 -58.3722 -276.652 51.0142 -276.651 -445.716 GPRESSURE: 351000 165.03 137.502 96.0846 155.739 -39.3304 -308.306 43.9854 -124.42 -407.715 PRESSAVG: 351000 39.3201 -1.00251 55.2121 -1.00251 -46.3384 -20.112 55.2121 -20.112 -0.731164 GPRESSAVG: 351000 39.7652 -2.85872 53.5196 -2.62631 -46.7264 -20.5544 56.0144 -17.7933 -0.132562 TIMING: 351000 CPU: 1170.62, 0.00314646/step Wall: 1170.62, 0.00314646/step, 4.0633 hours remaining, 231.488281 MB of memory in use. ENERGY: 351000 3980.9260 20405.4735 14500.6650 239.7643 -204067.7843 2736.0405 0.0000 0.0000 52104.0548 -110100.8601 299.4427 -162204.9150 -109732.9426 298.4026 -123.9652 -94.0052 761024.4131 -2.5832 -2.3646 PRESSURE: 351200 190.189 -56.5283 77.2363 -56.528 206.772 35.5478 77.2356 35.5485 -146.71 GPRESSURE: 351200 81.1832 -136.837 147.908 -80.5702 288.594 62.4499 89.4382 51.8666 -14.5266 PRESSAVG: 351200 23.6408 10.9723 -2.26645 10.9722 -8.8705 -40.6412 -2.26649 -40.6411 3.62477 GPRESSAVG: 351200 22.9909 10.1958 -1.70776 13.6377 -7.65532 -40.1439 -2.19923 -40.5247 3.81564 TIMING: 351200 CPU: 1171.25, 0.0031628/step Wall: 1171.25, 0.0031628/step, 4.08422 hours remaining, 231.488281 MB of memory in use. ENERGY: 351200 4062.7564 20475.9155 14430.2977 226.1420 -204172.7878 2883.7310 0.0000 0.0000 52182.6856 -109911.2597 299.8946 -162093.9453 -109559.1588 298.3265 83.4168 118.4168 762002.0236 6.1317 6.3837 PRESSURE: 351400 -97.374 -234.844 -9.26595 -234.845 293.07 3.88734 -9.26457 3.88699 -57.7136 GPRESSURE: 351400 15.2882 -151.464 -57.9668 -78.3392 282.008 28.4925 -227.346 -42.567 -89.6808 PRESSAVG: 351400 -42.6663 -4.17628 -25.3819 -4.17634 14.0878 11.5244 -25.382 11.5244 7.78462 GPRESSAVG: 351400 -42.276 -4.25067 -24.8733 -4.06404 14.4358 11.2379 -26.6411 10.0518 7.1692 TIMING: 351400 CPU: 1171.88, 0.00314817/step Wall: 1171.88, 0.00314817/step, 4.06516 hours remaining, 231.488281 MB of memory in use. ENERGY: 351400 3987.5711 20539.3929 14528.0444 239.2892 -203691.8454 2542.4439 0.0000 0.0000 51874.6229 -109980.4810 298.1242 -161855.1040 -109623.5700 298.3702 45.9943 69.2051 759463.1326 -6.9313 -6.8903 PRESSURE: 351600 -89.2997 9.12791 -41.5041 9.1271 186.762 29.2301 -41.5038 29.2312 -430.193 GPRESSURE: 351600 -17.2047 -19.844 39.8671 88.5666 104.729 15.7699 -17.119 26.5021 -349.669 PRESSAVG: 351600 60.3078 14.9788 18.104 14.9788 -24.4355 -4.75642 18.1039 -4.75639 -15.7706 GPRESSAVG: 351600 59.7213 15.4921 16.4071 14.3126 -25.3185 -5.4097 19.2687 -5.08834 -14.2346 TIMING: 351600 CPU: 1172.51, 0.00316462/step Wall: 1172.51, 0.00316462/step, 4.08622 hours remaining, 231.488281 MB of memory in use. ENERGY: 351600 3888.1715 20576.0159 14473.4977 255.1103 -204052.1560 2751.0512 0.0000 0.0000 51851.9213 -110256.3879 297.9937 -162108.3093 -109900.8559 298.1980 -110.9101 -87.3813 761352.8472 6.7006 6.7227 PRESSURE: 351800 109.692 6.6801 -29.121 6.68034 -29.3301 -252.293 -29.1203 -252.292 607.318 GPRESSURE: 351800 137.971 100.237 -6.12053 28.6079 -41.1242 -131.521 23.8878 -125.787 644.359 PRESSAVG: 351800 23.387 17.4389 27.3119 17.4389 -0.0519749 26.0208 27.3119 26.0208 24.7668 GPRESSAVG: 351800 24.9041 16.3841 28.3186 15.3961 -0.787591 27.7718 26.1108 27.4613 24.1079 TIMING: 351800 CPU: 1173.14, 0.0031668/step Wall: 1173.14, 0.0031668/step, 4.08887 hours remaining, 231.488281 MB of memory in use. ENERGY: 351800 3956.8742 20463.1981 14420.4570 237.3502 -204305.8124 3200.3755 0.0000 0.0000 51900.9341 -110126.6234 298.2754 -162027.5575 -109762.3460 297.8962 229.2264 247.0685 759735.1060 16.0339 16.0748 PRESSURE: 352000 -130.793 92.5452 -5.87332 92.5456 21.254 173.177 -5.87292 173.177 -372.61 GPRESSURE: 352000 -153.721 68.4959 -35.4198 193.265 18.2706 175.048 -22.6745 122.174 -265.394 PRESSAVG: 352000 29.3019 60.4481 7.3822 60.4481 -22.5693 48.3771 7.38224 48.377 -23.4388 GPRESSAVG: 352000 29.2869 60.8229 7.30184 61.2643 -22.361 45.9069 7.17473 48.6175 -23.508 TIMING: 352000 CPU: 1173.77, 0.00315263/step Wall: 1173.77, 0.00315263/step, 4.07039 hours remaining, 231.488281 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: 352000 3963.8366 20591.5996 14476.8213 234.6801 -203637.3462 2469.3585 0.0000 0.0000 51793.4163 -110107.6339 297.6575 -161901.0501 -109756.4935 298.4025 -160.7162 -133.6149 760649.4138 -5.5687 -5.5273 PRESSURE: 352200 -207.713 -4.96004 -446.966 -4.95995 -241.436 -135.487 -446.967 -135.488 213.859 GPRESSURE: 352200 -166.285 -31.8205 -446.061 61.6139 -165.064 -37.2027 -392.719 -44.177 199.15 PRESSAVG: 352200 4.48466 5.18329 -21.482 5.18339 -42.7993 -6.83922 -21.482 -6.83918 -15.5432 GPRESSAVG: 352200 3.39339 5.49102 -20.287 6.86018 -42.8295 -5.52668 -21.5501 -6.21338 -14.6425 TIMING: 352200 CPU: 1174.41, 0.00317547/step Wall: 1174.41, 0.00317547/step, 4.0997 hours remaining, 231.488281 MB of memory in use. ENERGY: 352200 3959.5719 20423.9732 14396.2225 264.0148 -203532.6256 2664.5575 0.0000 0.0000 51865.8592 -109958.4265 298.0738 -161824.2857 -109597.8276 298.4275 -78.4301 -44.0665 761345.3887 -17.9526 -18.0262 LDB: ============= START OF LOAD BALANCING ============== 1186.83 LDB: ============== END OF LOAD BALANCING =============== 1186.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1186.83 LDB: ============= START OF LOAD BALANCING ============== 1187.14 LDB: Largest compute 7066 load 0.033933 is 17.4% of average load 0.195133 LDB: Average compute 0.004389 is 2.2% of average load 0.195133 LDB: TIME 1187.15 LOAD: AVG 0.195133 MAX 0.217616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.512 MB LDB: TIME 1187.15 LOAD: AVG 0.195133 MAX 0.217616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: TIME 1187.15 LOAD: AVG 0.195133 MAX 0.217616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: ============== END OF LOAD BALANCING =============== 1187.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1187.15 PRESSURE: 352400 -6.05214 133.5 -12.9061 133.5 -201.822 92.8418 -12.9061 92.843 -91.5875 GPRESSURE: 352400 44.2166 94.2436 59.194 138.186 -219.744 -8.78168 -0.202201 38.7624 -49.7564 PRESSAVG: 352400 -1.72863 24.2128 5.19606 24.2128 -2.59375 -21.8592 5.19604 -21.8593 8.05622 GPRESSAVG: 352400 -1.77541 24.0857 4.86666 22.1657 -1.42706 -22.3445 5.37692 -21.7424 7.31695 TIMING: 352400 CPU: 1175.05, 0.00319726/step Wall: 1175.05, 0.00319726/step, 4.12767 hours remaining, 230.878906 MB of memory in use. ENERGY: 352400 3970.3319 20512.3661 14475.5275 235.6187 -203714.8078 2703.9143 0.0000 0.0000 51641.2245 -110175.8249 296.7828 -161817.0493 -109808.6712 298.5170 -99.8207 -75.0946 761313.9671 1.2446 1.3715 PRESSURE: 352600 112.443 280.797 -42.3427 280.797 -226.254 -254.647 -42.3425 -254.648 124.027 GPRESSURE: 352600 190.461 240.151 -19.3721 279.692 -251.418 -332.137 -2.11863 -222.99 163.178 PRESSAVG: 352600 39.1544 -0.065964 -4.9369 -0.0659785 -103.172 -5.05607 -4.9369 -5.05609 -21.5042 GPRESSAVG: 352600 39.4086 0.135057 -5.87262 -0.251965 -103.169 -4.51656 -4.7968 -5.96048 -21.5144 TIMING: 352600 CPU: 1175.68, 0.00314903/step Wall: 1175.68, 0.00314903/step, 4.06522 hours remaining, 231.039062 MB of memory in use. ENERGY: 352600 4059.7311 20476.0180 14440.9039 262.0476 -203856.5719 2894.9066 0.0000 0.0000 51741.0941 -109981.8706 297.3568 -161722.9647 -109625.6336 297.5725 3.4052 34.0737 761606.9346 -28.5072 -28.4250 PRESSURE: 352800 7.9212 138.369 -203.232 138.368 -353.076 -232.982 -203.231 -232.981 -334.45 GPRESSURE: 352800 49.9955 78.4049 -251.994 223.553 -339.097 -177.255 -182.159 -283.456 -297.254 PRESSAVG: 352800 9.53789 -17.4096 -7.81407 -17.4095 -27.9996 24.9931 -7.81402 24.9932 -12.7401 GPRESSAVG: 352800 10.2691 -19.5051 -7.75828 -15.025 -28.5722 25.0183 -9.53381 23.9121 -12.9724 TIMING: 352800 CPU: 1176.31, 0.00316242/step Wall: 1176.31, 0.00316242/step, 4.08233 hours remaining, 231.109375 MB of memory in use. ENERGY: 352800 4039.1328 20478.1911 14465.9520 252.3870 -203722.8638 2533.6799 0.0000 0.0000 51964.7708 -109988.7502 298.6423 -161953.5210 -109623.6396 298.1154 -226.5352 -195.4520 759675.4772 -10.4006 -10.4252 PRESSURE: 353000 26.3816 62.8739 67.9343 62.8737 179.811 -84.0647 67.9336 -84.0648 -149.613 GPRESSURE: 353000 130.555 80.7517 100.199 -71.0861 152.071 -166.902 78.5173 58.7226 -128.184 PRESSAVG: 353000 -25.2145 -38.3816 -25.2633 -38.3817 17.4931 -19.9334 -25.2633 -19.9334 -11.1204 GPRESSAVG: 353000 -24.3098 -35.2334 -24.8449 -41.021 17.6119 -21.5035 -22.8934 -17.3042 -12.2359 TIMING: 353000 CPU: 1176.94, 0.00314673/step Wall: 1176.94, 0.00314673/step, 4.0619 hours remaining, 231.109375 MB of memory in use. ENERGY: 353000 4023.8314 20672.3367 14413.4666 253.5430 -203588.9085 2475.7074 0.0000 0.0000 51850.2493 -109899.7743 297.9841 -161750.0235 -109541.4612 298.7045 18.8600 51.4808 760076.5614 -6.2806 -6.3113 PRESSURE: 353200 -23.035 -79.1788 -79.3066 -79.179 57.9536 111.577 -79.307 111.577 -53.8462 GPRESSURE: 353200 -24.2642 -183.68 -86.9465 -95.299 135.707 61.8047 -71.4696 -37.0054 -34.2899 PRESSAVG: 353200 -49.1699 -46.6737 2.17847 -46.6737 -3.00048 -42.0426 2.17837 -42.0427 -14.4646 GPRESSAVG: 353200 -50.6673 -46.7731 1.85801 -46.0164 -2.9554 -40.1193 0.692336 -43.7201 -13.0848 TIMING: 353200 CPU: 1177.57, 0.00315394/step Wall: 1177.57, 0.00315394/step, 4.07104 hours remaining, 231.109375 MB of memory in use. ENERGY: 353200 4019.8408 20332.8281 14449.9110 233.1235 -203310.2668 2186.9602 0.0000 0.0000 51920.0209 -110167.5823 298.3851 -162087.6032 -109806.1760 297.5470 -6.3092 25.7176 760655.8364 -22.2117 -22.2359 PRESSURE: 353400 284.963 -87.9686 125.461 -87.969 -124.318 141.144 125.462 141.144 -279.844 GPRESSURE: 353400 355.506 -37.2432 165.624 -159.243 -78.9239 156.403 84.6156 165.393 -314.811 PRESSAVG: 353400 48.5073 -52.6928 8.27698 -52.6928 -0.801604 11.3617 8.27699 11.3617 -5.46158 GPRESSAVG: 353400 47.8104 -52.9508 8.86882 -51.4774 -0.0616714 9.66104 9.60344 12.7182 -5.65219 TIMING: 353400 CPU: 1178.22, 0.00322227/step Wall: 1178.22, 0.00322227/step, 4.15906 hours remaining, 231.109375 MB of memory in use. ENERGY: 353400 4008.9547 20398.9375 14553.0039 250.1097 -203476.4556 2313.0020 0.0000 0.0000 51670.8549 -110281.5929 296.9531 -161952.4477 -109926.6747 297.9208 -39.7330 -12.7430 759214.9533 14.0814 14.0322 PRESSURE: 353600 -263.408 -102.177 14.6431 -102.177 -334.344 -130.415 14.6436 -130.416 -403.554 GPRESSURE: 353600 -168.643 -124.208 50.831 -76.0182 -304.44 -67.6899 124.634 -178.463 -419.789 PRESSAVG: 353600 47.0323 -19.0594 -1.67969 -19.0595 -28.5288 17.1325 -1.6797 17.1325 -25.0444 GPRESSAVG: 353600 48.4664 -18.3519 -3.71524 -20.377 -29.848 18.6997 -3.07702 16.6629 -25.2859 TIMING: 353600 CPU: 1178.85, 0.00317386/step Wall: 1178.85, 0.00317386/step, 4.0964 hours remaining, 231.109375 MB of memory in use. ENERGY: 353600 4074.0493 20394.7658 14498.2474 242.4171 -203540.0477 2383.5405 0.0000 0.0000 51893.3245 -110053.7030 298.2316 -161947.0275 -109695.4386 297.6497 -333.7686 -297.6240 759594.0747 -2.1803 -2.2225 PRESSURE: 353800 -57.4034 -37.1564 92.5655 -37.1562 -34.1132 -20.6633 92.5664 -20.6631 245.228 GPRESSURE: 353800 -45.1405 60.2444 72.6762 -36.8718 117.639 -54.4441 0.304925 -58.6408 135.612 PRESSAVG: 353800 29.4085 -73.835 6.52997 -73.835 -15.5805 -10.1136 6.52992 -10.1136 16.6913 GPRESSAVG: 353800 28.1513 -75.8195 10.0625 -73.6774 -13.9212 -12.5675 6.28475 -7.85315 16.3697 TIMING: 353800 CPU: 1179.48, 0.00315636/step Wall: 1179.48, 0.00315636/step, 4.07363 hours remaining, 231.109375 MB of memory in use. ENERGY: 353800 4082.2381 20559.6366 14382.5597 258.5441 -203843.9119 3103.9218 0.0000 0.0000 51435.8406 -110021.1710 295.6025 -161457.0116 -109663.2879 297.9724 51.2372 69.3703 761491.0112 10.1731 10.1999 PRESSURE: 354000 -6.78499 -71.2512 -25.151 -71.2517 -151.066 -138.367 -25.1508 -138.368 -79.017 GPRESSURE: 354000 19.9127 -127.599 -68.6655 -95.2172 -79.005 -141.142 6.49166 -121.378 -94.6976 PRESSAVG: 354000 26.1328 -40.2016 27.9306 -40.2016 -36.5298 -27.8877 27.9306 -27.8877 -1.24944 GPRESSAVG: 354000 27.5258 -36.9063 25.414 -40.6399 -38.0593 -26.4733 28.4497 -31.4672 -1.52793 TIMING: 354000 CPU: 1180.12, 0.00319249/step Wall: 1180.12, 0.00319249/step, 4.12009 hours remaining, 231.109375 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: 354000 3973.2860 20426.8885 14473.4956 258.1287 -203225.1789 2500.7324 0.0000 0.0000 51830.1771 -109762.4707 297.8687 -161592.6477 -109414.0488 298.3095 -78.9562 -51.2633 763254.7936 -3.8822 -4.0205 PRESSURE: 354200 148.284 40.6466 26.3831 40.6473 -98.526 222.34 26.3834 222.341 35.113 GPRESSURE: 354200 173.623 53.7048 -21.075 45.7423 -37.8198 182.843 85.5401 303.732 32.3362 PRESSAVG: 354200 46.4327 -36.5523 -14.5891 -36.5524 -31.1876 70.1747 -14.5892 70.1746 17.9364 GPRESSAVG: 354200 45.6854 -39.1136 -13.9644 -34.813 -31.9839 68.8821 -14.1782 71.749 19.5684 TIMING: 354200 CPU: 1180.75, 0.00315262/step Wall: 1180.75, 0.00315262/step, 4.06845 hours remaining, 231.109375 MB of memory in use. ENERGY: 354200 4002.9552 20399.4598 14465.5378 255.9848 -203250.7990 2589.4870 0.0000 0.0000 52075.7420 -109461.6324 299.2800 -161537.3744 -109099.0164 298.7663 28.2903 56.0463 761038.8454 11.0605 11.0900 PRESSURE: 354400 -294.35 97.8038 -223.322 97.8045 -206.019 -62.862 -223.321 -62.8628 -44.4841 GPRESSURE: 354400 -331.244 48.489 -224.469 73.6631 -125.555 -40.6154 -105.39 -135.183 8.59488 PRESSAVG: 354400 30.5549 22.1488 7.52626 22.1488 -53.6025 46.1925 7.52628 46.1924 -2.37004 GPRESSAVG: 354400 30.6221 23.4912 7.26045 20.3698 -52.1154 46.8117 8.14902 46.4131 -3.68989 TIMING: 354400 CPU: 1181.38, 0.00313811/step Wall: 1181.38, 0.00313811/step, 4.04956 hours remaining, 231.109375 MB of memory in use. ENERGY: 354400 4010.6238 20558.2933 14449.5005 246.8516 -203213.1239 2443.8881 0.0000 0.0000 51857.5483 -109646.4182 298.0260 -161503.9665 -109286.1710 299.0560 -181.6176 -149.4014 762350.3734 -8.4726 -8.3944 PRESSURE: 354600 -213.445 21.4811 13.1329 21.4812 -336.783 -254.314 13.1326 -254.314 94.9258 GPRESSURE: 354600 -107.17 -4.73971 -12.9198 76.2869 -295.527 -215.134 100.485 -250.915 36.9548 PRESSAVG: 354600 2.37873 -11.7699 -3.77431 -11.7699 -30.1296 13.4016 -3.77426 13.4017 31.3006 GPRESSAVG: 354600 1.17374 -12.2343 -3.40135 -10.555 -29.3353 13.9549 -1.75196 12.1297 31.9965 TIMING: 354600 CPU: 1182.01, 0.00316293/step Wall: 1182.01, 0.00316293/step, 4.0814 hours remaining, 231.109375 MB of memory in use. ENERGY: 354600 3957.5531 20436.5691 14468.4430 231.7271 -203346.9666 2728.2386 0.0000 0.0000 51906.0360 -109618.3997 298.3047 -161524.4357 -109264.9385 298.5324 -151.7671 -121.9139 762199.9921 1.1832 1.2783 PRESSURE: 354800 -34.6208 -213.795 -102.003 -213.795 191.898 19.229 -102.003 19.2297 -113.629 GPRESSURE: 354800 105.39 -247.668 -82.6952 -205.969 129.373 -77.0174 -43.6174 105.352 -117.859 PRESSAVG: 354800 58.6272 9.34289 68.9394 9.34293 -39.235 5.28105 68.9394 5.28109 4.20142 GPRESSAVG: 354800 59.6883 9.27836 67.4898 9.92893 -39.7619 4.26679 68.4411 6.28034 3.65691 TIMING: 354800 CPU: 1182.65, 0.00320689/step Wall: 1182.65, 0.00320689/step, 4.13796 hours remaining, 231.312500 MB of memory in use. ENERGY: 354800 3970.2620 20457.9828 14410.0061 247.3987 -202866.3305 2239.0018 0.0000 0.0000 52314.4629 -109227.2162 300.6519 -161541.6791 -108867.7469 298.8906 14.5493 38.9680 760307.9685 7.8645 7.8611 PRESSURE: 355000 270.755 93.4556 -48.6397 93.4551 73.8939 -168.703 -48.6397 -168.703 54.6426 GPRESSURE: 355000 175.015 167.709 -40.8621 111.665 138.19 -113.6 -76.9773 -115.056 161.431 PRESSAVG: 355000 57.1631 31.1115 6.33439 31.1115 -40.39 -2.22395 6.33435 -2.22406 2.6754 GPRESSAVG: 355000 55.7812 32.2163 6.84739 29.6305 -40.4251 -2.46423 7.1331 -0.660383 3.57082 TIMING: 355000 CPU: 1183.28, 0.00314753/step Wall: 1183.28, 0.00314753/step, 4.06119 hours remaining, 231.312500 MB of memory in use. ENERGY: 355000 3885.6317 20645.6363 14429.0111 232.0661 -203344.3391 2554.5822 0.0000 0.0000 52287.4176 -109309.9940 300.4965 -161597.4116 -108950.2557 300.2045 133.0973 158.2117 758052.9123 6.4828 6.3090 PRESSURE: 355200 -111.687 -316.627 -283.656 -316.628 -89.5061 119.755 -283.656 119.754 -291.929 GPRESSURE: 355200 -120.373 -128.116 -305.512 -281.672 -29.5233 73.864 -242.412 -25.109 -260.736 PRESSAVG: 355200 82.601 -51.8941 41.7976 -51.8941 -91.6479 15.4447 41.7977 15.4448 -12.1089 GPRESSAVG: 355200 83.201 -52.5032 43.1176 -50.9883 -91.4658 15.7151 38.6572 14.4576 -12.8438 TIMING: 355200 CPU: 1183.91, 0.00315377/step Wall: 1183.91, 0.00315377/step, 4.06907 hours remaining, 231.312500 MB of memory in use. ENERGY: 355200 3996.7353 20547.1778 14415.4403 230.6247 -202966.8488 2600.7987 0.0000 0.0000 51931.2580 -109244.8140 298.4497 -161176.0720 -108878.9739 299.5579 -164.3739 -136.8773 760769.4413 -7.0519 -7.0362 PRESSURE: 355400 -48.0669 123.935 250.844 123.935 -533.943 189.511 250.843 189.511 -113.457 GPRESSURE: 355400 45.3356 -53.037 203.48 93.225 -513.109 166.23 273.019 238.721 -126.888 PRESSAVG: 355400 66.5471 -55.3579 43.3129 -55.3578 -27.6299 78.4614 43.3129 78.4614 15.5117 GPRESSAVG: 355400 65.8571 -55.0145 43.429 -56.3426 -26.5425 78.5103 44.6651 78.3266 15.3027 TIMING: 355400 CPU: 1184.54, 0.00312791/step Wall: 1184.54, 0.00312791/step, 4.03553 hours remaining, 231.312500 MB of memory in use. ENERGY: 355400 3937.7904 20472.1944 14387.9584 221.1026 -202877.6804 2310.7738 0.0000 0.0000 52297.8986 -109249.9622 300.5567 -161547.8608 -108887.1916 299.7429 -231.8222 -198.2204 761277.9676 18.1430 18.2058 PRESSURE: 355600 21.4564 -84.4369 50.4329 -84.4363 -135.051 17.2024 50.4326 17.2012 -312.688 GPRESSURE: 355600 -21.5066 -58.1269 28.8869 -0.823774 -24.0346 5.96053 88.0359 50.262 -286.372 PRESSAVG: 355600 15.2152 -37.1107 14.8137 -37.1107 -0.162003 28.939 14.8137 28.939 -5.14711 GPRESSAVG: 355600 15.681 -38.0837 14.4503 -37.0795 -0.203595 29.407 14.7091 28.605 -5.32234 TIMING: 355600 CPU: 1185.17, 0.00313481/step Wall: 1185.17, 0.00313481/step, 4.04425 hours remaining, 231.312500 MB of memory in use. ENERGY: 355600 4009.5920 20576.1687 14453.4253 233.1761 -203376.4874 2625.1198 0.0000 0.0000 52217.6865 -109261.3190 300.0958 -161479.0056 -108902.7504 299.8816 -142.0943 -110.6377 760198.7595 3.3020 3.3850 PRESSURE: 355800 68.1958 -87.875 -9.59914 -87.8749 41.089 59.0703 -9.59889 59.0703 -152.682 GPRESSURE: 355800 65.6195 7.75814 93.9322 -112.584 70.5199 58.8445 -141.449 88.9717 -80.3264 PRESSAVG: 355800 3.13423 -15.9801 -22.2269 -15.9802 -6.56254 15.1581 -22.2268 15.158 0.0609352 GPRESSAVG: 355800 3.87336 -14.1742 -20.2845 -18.5394 -7.3567 14.1155 -23.5679 16.7117 0.127473 TIMING: 355800 CPU: 1185.8, 0.00318082/step Wall: 1185.8, 0.00318082/step, 4.10343 hours remaining, 231.312500 MB of memory in use. ENERGY: 355800 4025.8345 20495.7384 14515.9716 249.4539 -203345.5940 2571.0319 0.0000 0.0000 52187.4802 -109300.0836 299.9222 -161487.5637 -108951.2092 299.7731 -14.4656 18.6043 760143.5761 -1.1225 -1.1186 PRESSURE: 356000 -26.5627 -66.0265 279.28 -66.0258 6.95216 54.0742 279.279 54.0742 78.9347 GPRESSURE: 356000 72.632 -68.5703 273.275 -80.2884 -99.4734 65.9458 206.065 42.1527 165.849 PRESSAVG: 356000 89.8405 -79.9974 -6.32876 -79.9975 -53.0648 -39.4309 -6.32883 -39.4309 12.3585 GPRESSAVG: 356000 90.1351 -81.1887 -8.22368 -78.1538 -53.8155 -38.8246 -6.03016 -41.0358 12.4773 TIMING: 356000 CPU: 1186.44, 0.00318198/step Wall: 1186.44, 0.00318198/step, 4.10476 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 4020.2405 20445.8804 14441.7073 238.5276 -203305.9221 2530.4430 0.0000 0.0000 52187.7268 -109441.3966 299.9236 -161629.1233 -109084.4734 299.7836 19.7747 46.3360 761231.4267 16.3781 16.2657 PRESSURE: 356200 -75.106 -38.8453 194.07 -38.8459 -216.45 -7.02083 194.069 -7.0207 29.7352 GPRESSURE: 356200 -17.6496 -159.743 105.246 -27.7041 -181.861 43.1853 224.494 41.4173 9.22321 PRESSAVG: 356200 56.7007 -29.9267 89.1983 -29.9266 -29.7504 14.0151 89.1983 14.0151 16.5629 GPRESSAVG: 356200 55.7669 -30.6409 88.6356 -29.6223 -27.9892 14.6254 89.3122 13.6237 16.1438 TIMING: 356200 CPU: 1187.07, 0.00315508/step Wall: 1187.07, 0.00315508/step, 4.06988 hours remaining, 231.312500 MB of memory in use. ENERGY: 356200 3960.7073 20547.1194 14521.9011 246.8204 -203291.1022 2552.4220 0.0000 0.0000 52173.3792 -109288.7528 299.8411 -161462.1320 -108924.1517 299.8383 -87.2737 -63.4291 761183.0071 14.5044 14.6405 LDB: ============= START OF LOAD BALANCING ============== 1199.49 LDB: ============== END OF LOAD BALANCING =============== 1199.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1199.49 LDB: ============= START OF LOAD BALANCING ============== 1199.81 LDB: Largest compute 7066 load 0.034454 is 17.7% of average load 0.195118 LDB: Average compute 0.004392 is 2.3% of average load 0.195118 LDB: TIME 1199.81 LOAD: AVG 0.195118 MAX 0.214999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.055 MB LDB: TIME 1199.81 LOAD: AVG 0.195118 MAX 0.214999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.055 MB LDB: TIME 1199.81 LOAD: AVG 0.195118 MAX 0.214999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.055 MB LDB: ============== END OF LOAD BALANCING =============== 1199.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1199.82 PRESSURE: 356400 0.97979 -87.9795 6.86446 -87.9806 -294.67 -197.008 6.86487 -197.008 -265.101 GPRESSURE: 356400 -57.0625 -47.1765 -12.4123 -123.091 -169.98 -142.496 -7.74477 -148.856 -228.393 PRESSAVG: 356400 -5.74589 -27.0012 59.9447 -27.0013 -13.5353 43.1736 59.9447 43.1737 -6.90744 GPRESSAVG: 356400 -4.73223 -27.6371 60.7813 -26.1618 -13.7756 42.0755 60.3332 45.5298 -7.51123 TIMING: 356400 CPU: 1187.71, 0.00320618/step Wall: 1187.71, 0.00320617/step, 4.13561 hours remaining, 229.140625 MB of memory in use. ENERGY: 356400 4043.1682 20580.8250 14417.0732 237.9492 -202755.0928 2057.7522 0.0000 0.0000 52023.1764 -109395.1487 298.9779 -161418.3250 -109046.1602 299.4128 -186.2637 -151.8118 760777.1965 -8.7295 -8.6730 PRESSURE: 356600 -93.0849 -16.4292 43.4647 -16.4291 -270.204 95.5716 43.4643 95.5716 77.3599 GPRESSURE: 356600 -90.8757 -23.2599 60.9677 16.8427 -200.97 -7.94269 28.1155 100.053 88.1631 PRESSAVG: 356600 28.9825 -10.8678 62.4758 -10.8679 -18.4815 -19.0261 62.4758 -19.0261 3.74498 GPRESSAVG: 356600 27.5281 -9.79455 61.572 -11.863 -16.8449 -19.8148 62.6809 -19.1573 4.02934 TIMING: 356600 CPU: 1188.34, 0.00314108/step Wall: 1188.34, 0.00314109/step, 4.05148 hours remaining, 229.140625 MB of memory in use. ENERGY: 356600 3988.8332 20687.5246 14480.8686 243.0768 -203096.2916 2212.6289 0.0000 0.0000 52058.4197 -109424.9397 299.1805 -161483.3594 -109066.8361 299.4592 -95.3096 -67.8941 761499.9210 4.7487 4.9042 PRESSURE: 356800 -25.219 -215.875 -123.067 -215.875 395.154 140.691 -123.067 140.692 183.49 GPRESSURE: 356800 83.3616 -67.2901 -146.641 -245.532 338.608 104.459 -58.0444 21.4576 209.343 PRESSAVG: 356800 56.3945 -2.63695 -26.3766 -2.63695 -19.4338 14.8367 -26.3765 14.8367 -14.5362 GPRESSAVG: 356800 58.0642 -3.57743 -25.9822 -2.73768 -22.1727 16.2566 -25.3642 13.9377 -13.2875 TIMING: 356800 CPU: 1188.97, 0.00314278/step Wall: 1188.97, 0.00314278/step, 4.05349 hours remaining, 229.140625 MB of memory in use. ENERGY: 356800 3913.3779 20557.7892 14371.6301 262.7374 -203100.7814 2529.3756 0.0000 0.0000 52090.8073 -109375.0639 299.3666 -161465.8713 -109018.8780 299.1585 184.4751 210.4376 760727.1403 7.4749 7.5347 PRESSURE: 357000 219.341 -31.5891 77.0107 -31.5884 -94.8494 35.0378 77.0109 35.0377 224.329 GPRESSURE: 357000 137.117 -129.548 44.3562 -184.938 19.4258 -86.0695 36.705 29.7224 254.714 PRESSAVG: 357000 36.36 39.5008 -23.4594 39.5008 -16.3001 18.1024 -23.4594 18.1024 -10.1478 GPRESSAVG: 357000 34.478 38.8357 -22.3504 40.7562 -14.7469 18.5556 -26.307 19.1718 -10.5176 TIMING: 357000 CPU: 1189.6, 0.00315513/step Wall: 1189.6, 0.00315513/step, 4.06924 hours remaining, 229.140625 MB of memory in use. ENERGY: 357000 3956.2206 20516.8734 14465.4333 252.1901 -203005.2987 2524.8485 0.0000 0.0000 51859.7242 -109430.0086 298.0385 -161289.7328 -109064.6707 298.9680 116.2736 137.0858 761179.2050 3.3040 3.0712 PRESSURE: 357200 118.207 -28.0226 -193.892 -28.0222 -48.3313 -174.503 -193.892 -174.504 -186.522 GPRESSURE: 357200 84.1064 57.7594 -130.743 123.473 38.2913 -224.894 -125.148 -231.429 -138.403 PRESSAVG: 357200 -17.5137 17.5111 29.203 17.5111 -18.433 13.666 29.203 13.666 -0.307079 GPRESSAVG: 357200 -19.3142 18.7202 30.3313 15.0763 -18.2189 13.123 32.4354 12.1406 1.15999 TIMING: 357200 CPU: 1190.23, 0.00314932/step Wall: 1190.23, 0.00314932/step, 4.06158 hours remaining, 229.339844 MB of memory in use. ENERGY: 357200 3965.8488 20591.0536 14469.8996 256.2424 -203671.0241 2737.0985 0.0000 0.0000 52053.5549 -109597.3264 299.1525 -161650.8813 -109233.1343 298.6959 -38.8821 -5.3351 762936.2793 -12.0846 -12.1244 PRESSURE: 357400 119.386 -149.526 127.451 -149.526 186.335 80.6325 127.451 80.633 6.48015 GPRESSURE: 357400 150.133 -59.3602 2.07726 -283.441 122.855 147.166 -0.984019 41.0884 127.621 PRESSAVG: 357400 53.6218 -22.5688 15.3898 -22.5687 -86.7989 -27.9215 15.3898 -27.9215 3.52957 GPRESSAVG: 357400 55.839 -21.3847 13.6775 -21.8782 -87.7643 -26.7432 13.9036 -28.4673 2.16516 TIMING: 357400 CPU: 1190.86, 0.00315171/step Wall: 1190.86, 0.00315171/step, 4.06448 hours remaining, 229.339844 MB of memory in use. ENERGY: 357400 3928.9655 20508.3569 14530.2511 222.0158 -203289.3763 2672.0946 0.0000 0.0000 51947.0182 -109480.6742 298.5402 -161427.6925 -109111.8868 299.2444 104.0673 133.5363 761377.3458 -9.8825 -9.9201 PRESSURE: 357600 13.0878 74.3586 187.632 74.3585 -67.4154 -149.925 187.632 -149.925 -311.056 GPRESSURE: 357600 96.114 -47.7961 206.733 40.8765 -24.6016 -77.9256 217.738 -134.345 -340.573 PRESSAVG: 357600 -23.3262 -8.30869 41.3479 -8.30871 5.88139 -44.9162 41.3479 -44.9162 -10.6426 GPRESSAVG: 357600 -21.973 -10.6074 40.7929 -6.54365 4.63693 -46.9662 41.3073 -44.2696 -10.7985 TIMING: 357600 CPU: 1191.49, 0.00317401/step Wall: 1191.49, 0.00317401/step, 4.09306 hours remaining, 229.339844 MB of memory in use. ENERGY: 357600 3969.5445 20545.3374 14486.1584 231.4683 -203191.6171 2490.2997 0.0000 0.0000 51989.2729 -109479.5359 298.7831 -161468.8088 -109115.5498 299.1221 -121.7947 -89.6867 761024.7580 -9.3624 -9.3782 PRESSURE: 357800 9.40078 102.305 -201.404 102.305 513.382 1.8469 -201.404 1.8462 15.6061 GPRESSURE: 357800 43.7628 62.6446 -195.722 88.5597 482.014 34.0731 -101.08 -36.5432 106.362 PRESSAVG: 357800 -11.1199 14.9494 14.0108 14.9494 18.0862 27.4164 14.0108 27.4164 9.4259 GPRESSAVG: 357800 -13.4668 15.4363 13.9675 12.9733 19.5814 27.8929 14.5707 26.9631 10.1052 TIMING: 357800 CPU: 1192.13, 0.00317015/step Wall: 1192.13, 0.00317015/step, 4.0879 hours remaining, 229.339844 MB of memory in use. ENERGY: 357800 3937.0689 20629.0341 14471.8564 240.2888 -203532.6059 2829.0328 0.0000 0.0000 51889.6643 -109535.6606 298.2106 -161425.3249 -109174.5642 299.5926 179.4628 210.7128 760372.1836 5.4641 5.4066 PRESSURE: 358000 -70.1279 -45.8907 -78.5076 -45.891 -325.932 44.1704 -78.5071 44.1711 -50.6184 GPRESSURE: 358000 -30.0603 79.6204 -21.1609 82.1858 -257.471 104.749 47.8746 122.451 -74.5672 PRESSAVG: 358000 -13.4769 -8.28702 -32.1294 -8.28704 -11.4611 14.6625 -32.1293 14.6625 18.5794 GPRESSAVG: 358000 -12.0744 -10.0923 -31.5921 -6.57395 -12.2138 15.3741 -32.4222 14.7917 17.9143 TIMING: 358000 CPU: 1192.76, 0.00317321/step Wall: 1192.76, 0.00317321/step, 4.09168 hours remaining, 229.339844 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: 358000 4014.3518 20550.2248 14509.3700 258.3687 -203641.2376 2725.2474 0.0000 0.0000 52150.4224 -109433.2526 299.7092 -161583.6750 -109068.7632 299.6530 -148.8928 -120.6995 762065.2934 -2.1195 -2.1247 PRESSURE: 358200 168.675 26.1668 -120.992 26.1665 -209.033 -93.2056 -120.993 -93.2056 409.83 GPRESSURE: 358200 188.27 91.0491 -125.321 10.7356 -137.831 -86.3785 -106.57 -110.163 400.731 PRESSAVG: 358200 30.1459 25.7285 20.1077 25.7285 -32.1767 11.325 20.1077 11.325 9.65538 GPRESSAVG: 358200 30.3122 28.5239 20.3761 22.5462 -32.0576 10.0886 20.106 12.4077 9.13398 TIMING: 358200 CPU: 1193.39, 0.00315194/step Wall: 1193.39, 0.00315194/step, 4.06408 hours remaining, 229.339844 MB of memory in use. ENERGY: 358200 3993.8320 20568.7525 14498.5752 234.0152 -203798.5195 2709.7735 0.0000 0.0000 52195.1888 -109598.3824 299.9665 -161793.5712 -109237.9974 299.8810 123.1574 150.3899 762117.8599 2.5415 2.4629 PRESSURE: 358400 -146.805 56.5851 -97.0909 56.5847 -141.697 -210.568 -97.0904 -210.569 -495.131 GPRESSURE: 358400 -107.958 25.8428 -208.821 0.494051 -155.82 -243.607 -89.0548 -174.707 -436.544 PRESSAVG: 358400 -10.8131 -16.7418 -6.03473 -16.7418 -25.9529 -17.2328 -6.03473 -17.2328 -26.1107 GPRESSAVG: 358400 -11.6068 -18.8684 -6.45574 -13.9686 -25.1024 -17.3835 -6.17532 -17.1438 -25.7526 TIMING: 358400 CPU: 1194.02, 0.00315992/step Wall: 1194.02, 0.00315992/step, 4.07419 hours remaining, 229.339844 MB of memory in use. ENERGY: 358400 3972.8784 20545.6454 14453.1132 263.1321 -203601.2152 2583.7652 0.0000 0.0000 52132.3452 -109650.3357 299.6053 -161782.6809 -109292.2657 299.1523 -261.2111 -233.4408 762089.2584 -20.9589 -20.8206 PRESSURE: 358600 136.415 107.106 29.6989 107.106 247.77 -125.375 29.6973 -125.375 186.287 GPRESSURE: 358600 289.008 68.45 19.7328 62.5906 204.644 -149.949 179.278 -58.1641 157.152 PRESSAVG: 358600 27.2056 -26.9079 73.157 -26.9079 -13.0669 -31.2099 73.1571 -31.2098 -22.0171 GPRESSAVG: 358600 28.3855 -26.6262 73.2603 -26.7608 -14.971 -29.963 70.0704 -31.677 -21.7845 TIMING: 358600 CPU: 1194.66, 0.00317719/step Wall: 1194.66, 0.00317718/step, 4.09627 hours remaining, 229.339844 MB of memory in use. ENERGY: 358600 3916.8378 20426.0974 14518.4501 246.8935 -203538.3510 2506.6105 0.0000 0.0000 52233.1320 -109690.3298 300.1845 -161923.4617 -109320.4665 298.6120 190.1573 216.9344 759972.7304 -2.6261 -2.7900 PRESSURE: 358800 38.6392 155.558 47.4693 155.557 -64.0033 -68.114 47.4692 -68.1147 437.069 GPRESSURE: 358800 142.899 113.408 20.211 116.406 -7.15921 -99.9335 7.65219 -34.7133 366.35 PRESSAVG: 358800 16.5026 24.2114 6.66968 24.2114 5.22826 -11.9648 6.66968 -11.9648 8.73107 GPRESSAVG: 358800 17.0069 23.5093 7.05302 24.8239 4.49145 -13.8844 8.25424 -10.3973 9.15777 TIMING: 358800 CPU: 1195.29, 0.00314433/step Wall: 1195.29, 0.00314433/step, 4.05374 hours remaining, 229.339844 MB of memory in use. ENERGY: 358800 3998.9460 20492.9487 14502.1426 242.2835 -203392.9834 2509.3801 0.0000 0.0000 52226.8058 -109420.4767 300.1482 -161647.2825 -109064.6170 299.2167 137.2349 167.3632 759056.3481 10.1540 10.2187 PRESSURE: 359000 15.8011 -70.1798 -109.941 -70.1806 -191.59 157.875 -109.942 157.874 168.75 GPRESSURE: 359000 79.1678 -69.0127 -83.2289 -90.2109 -149.837 131.726 -67.6601 -30.8099 166.434 PRESSAVG: 359000 30.6449 -57.6136 47.1812 -57.6136 -19.3293 4.47277 47.1812 4.47279 1.73754 GPRESSAVG: 359000 29.0749 -55.1164 47.402 -61.4532 -17.9787 5.77245 49.3491 2.54135 1.47569 TIMING: 359000 CPU: 1195.92, 0.00317215/step Wall: 1195.92, 0.00317215/step, 4.08943 hours remaining, 229.339844 MB of memory in use. ENERGY: 359000 3960.2423 20537.6314 14551.8640 234.7837 -202790.5282 2228.1951 0.0000 0.0000 51734.8898 -109542.9220 297.3211 -161277.8117 -109176.6145 299.0258 -2.3466 31.9217 761700.7913 4.3511 4.1906 PRESSURE: 359200 32.1818 -88.6525 -1.27377 -88.6517 169.869 64.1924 -1.27354 64.1916 293.445 GPRESSURE: 359200 48.9148 -54.7993 39.5491 -113.409 204.234 89.1962 159.5 66.9385 304.638 PRESSAVG: 359200 25.0423 -48.593 6.32612 -48.593 6.98675 19.8348 6.32603 19.8348 -18.5533 GPRESSAVG: 359200 25.5799 -49.6076 6.40578 -44.6724 7.62514 20.826 7.28855 19.0726 -19.8995 TIMING: 359200 CPU: 1196.55, 0.00315594/step Wall: 1196.55, 0.00315594/step, 4.06836 hours remaining, 229.339844 MB of memory in use. ENERGY: 359200 3902.5894 20519.7253 14584.7423 238.3376 -203355.8744 2476.9438 0.0000 0.0000 51972.0555 -109661.4806 298.6841 -161633.5360 -109296.8835 299.0450 165.1653 185.9289 761590.2456 4.4919 4.4352 PRESSURE: 359400 -160.366 -129.718 173.836 -129.719 130.291 102.866 173.835 102.865 -1.51384 GPRESSURE: 359400 -67.6413 -152.685 125.952 -22.5171 101.196 65.0389 91.1963 81.4552 22.0434 PRESSAVG: 359400 -12.3761 -55.5988 -8.34254 -55.5988 45.7977 37.9828 -8.34256 37.9828 -14.5318 GPRESSAVG: 359400 -12.9609 -55.7256 -8.82138 -57.1403 45.054 36.3738 -9.95525 39.3132 -13.391 TIMING: 359400 CPU: 1197.21, 0.00330538/step Wall: 1197.21, 0.00330538/step, 4.26081 hours remaining, 229.339844 MB of memory in use. ENERGY: 359400 3967.9001 20441.1996 14531.3257 234.6179 -203087.8700 2531.4753 0.0000 0.0000 51866.6953 -109514.6560 298.0786 -161381.3514 -109157.1401 298.8109 -10.5296 18.5327 760785.7826 6.2966 6.2340 PRESSURE: 359600 90.5722 -94.5041 178.784 -94.5032 47.8911 -1.03601 178.784 -1.03653 51.3343 GPRESSURE: 359600 154.243 -83.6033 231.542 12.7209 11.646 37.2141 117.616 -100.12 93.8901 PRESSAVG: 359600 31.2848 -52.646 5.3423 -52.646 -0.994722 -30.3034 5.34233 -30.3034 25.9556 GPRESSAVG: 359600 31.0572 -51.0095 4.69306 -50.3046 -0.980637 -28.4092 4.98594 -31.6674 25.9698 TIMING: 359600 CPU: 1197.85, 0.0031698/step Wall: 1197.85, 0.0031698/step, 4.08587 hours remaining, 229.339844 MB of memory in use. ENERGY: 359600 3944.4597 20394.6374 14559.7629 226.5943 -203178.9062 2548.3213 0.0000 0.0000 51836.0288 -109669.1017 297.9024 -161505.1305 -109320.2227 298.3743 63.2659 86.5930 760380.1892 18.7486 18.6821 PRESSURE: 359800 31.2931 -212.225 8.52521 -212.225 -35.9813 -16.7226 8.52557 -16.7227 -60.9829 GPRESSURE: 359800 73.5938 -135.038 14.078 -118.794 -29.6944 23.7917 12.0596 -0.657057 -33.1983 PRESSAVG: 359800 -11.1337 -22.2781 61.6719 -22.2781 -27.0533 -27.7994 61.6718 -27.7994 -17.1759 GPRESSAVG: 359800 -12.0753 -23.8292 63.9848 -24.2923 -26.1073 -29.5778 62.4359 -26.5053 -16.9863 TIMING: 359800 CPU: 1198.49, 0.00318822/step Wall: 1198.49, 0.00318822/step, 4.10944 hours remaining, 229.339844 MB of memory in use. ENERGY: 359800 3961.9214 20392.2707 14524.1659 248.6392 -202961.8270 2378.3620 0.0000 0.0000 51805.8246 -109650.6433 297.7288 -161456.4678 -109296.3043 298.1846 -21.8904 3.5670 761347.1408 -18.4543 -18.3897 PRESSURE: 360000 110.728 -203.579 74.6717 -203.58 118.67 206.583 74.6709 206.584 72.0933 GPRESSURE: 360000 148.458 -261.159 37.6712 -235.874 196.661 99.5693 1.30307 119.588 35.0378 PRESSAVG: 360000 59.7059 -64.6191 22.8031 -64.6191 -27.5736 -30.6321 22.803 -30.6322 45.833 GPRESSAVG: 360000 60.576 -64.8813 19.4404 -62.6562 -27.095 -31.5835 22.9396 -30.9985 45.0795 TIMING: 360000 CPU: 1199.12, 0.00317504/step Wall: 1199.12, 0.00317504/step, 4.09228 hours remaining, 229.339844 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: 360000 3979.8814 20398.1296 14504.9418 246.5197 -203688.8284 2585.2950 0.0000 0.0000 52060.4385 -109913.6222 299.1921 -161974.0608 -109551.2165 298.1305 100.4970 126.7189 759773.6103 25.9884 26.1869 PRESSURE: 360200 266.451 145.944 -81.9229 145.943 85.5166 80.1293 -81.9235 80.1294 201.348 GPRESSURE: 360200 265.204 66.1495 -72.9031 42.8918 157.545 102.869 -47.3526 141.742 219.845 PRESSAVG: 360200 75.0987 -5.88082 -9.94603 -5.88083 -17.4515 -1.85179 -9.94602 -1.85181 28.5218 GPRESSAVG: 360200 75.2321 -5.10825 -8.47092 -8.64871 -17.6489 0.00936586 -10.645 0.467281 28.9134 TIMING: 360200 CPU: 1199.75, 0.00316779/step Wall: 1199.75, 0.00316779/step, 4.08276 hours remaining, 229.339844 MB of memory in use. ENERGY: 360200 3948.7449 20334.4351 14553.8963 254.7849 -203703.5501 2707.5773 0.0000 0.0000 51791.3010 -110112.8106 297.6453 -161904.1116 -109744.3653 297.2472 184.4385 214.1978 760931.9274 28.7230 28.8322 LDB: ============= START OF LOAD BALANCING ============== 1212.18 LDB: ============== END OF LOAD BALANCING =============== 1212.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1212.18 LDB: ============= START OF LOAD BALANCING ============== 1212.5 LDB: Largest compute 7065 load 0.034751 is 17.8% of average load 0.195001 LDB: Average compute 0.004414 is 2.3% of average load 0.195001 LDB: TIME 1212.5 LOAD: AVG 0.195001 MAX 0.218554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.227 MB LDB: TIME 1212.5 LOAD: AVG 0.195001 MAX 0.218554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.297 MB LDB: TIME 1212.5 LOAD: AVG 0.195001 MAX 0.213614 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.297 MB LDB: ============== END OF LOAD BALANCING =============== 1212.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1212.51 PRESSURE: 360400 -290.478 37.6446 -43.9559 37.6437 -130.929 25.5678 -43.9567 25.5677 188.049 GPRESSURE: 360400 -208.594 44.3943 -75.2662 -3.72152 -77.7884 72.6998 -2.56593 -22.6066 146.376 PRESSAVG: 360400 -8.4036 -15.2172 18.311 -15.2172 -18.6973 7.8948 18.3109 7.89483 0.766595 GPRESSAVG: 360400 -7.1563 -15.2022 17.4986 -12.1716 -19.7956 7.44007 17.5486 5.57419 0.67981 TIMING: 360400 CPU: 1200.4, 0.00323305/step Wall: 1200.4, 0.00323305/step, 4.16668 hours remaining, 231.355469 MB of memory in use. ENERGY: 360400 4004.8813 20530.2339 14449.7052 249.2933 -203598.5861 2582.3825 0.0000 0.0000 51784.9308 -109997.1592 297.6087 -161782.0900 -109645.7669 297.5963 -77.7863 -46.6688 760331.6486 -8.7781 -8.7574 PRESSURE: 360600 -107.19 -8.3579 -24.0652 -8.35774 -114.123 106.988 -24.0658 106.988 -109.925 GPRESSURE: 360600 -98.141 -64.523 -30.8917 54.975 -127.55 105.816 -62.0868 91.1994 -27.0853 PRESSAVG: 360600 35.5624 -13.4626 43.5989 -13.4627 -27.8057 -39.8454 43.5989 -39.8454 4.79987 GPRESSAVG: 360600 35 -13.5732 43.5127 -14.1685 -28.3141 -39.9721 41.1221 -41.6738 5.81477 TIMING: 360600 CPU: 1201.04, 0.00317452/step Wall: 1201.04, 0.00317452/step, 4.09108 hours remaining, 231.648438 MB of memory in use. ENERGY: 360600 3918.9693 20314.6391 14520.8953 245.0628 -203722.2139 2547.9440 0.0000 0.0000 52248.0883 -109926.6152 300.2705 -162174.7035 -109566.2439 298.4300 -110.4127 -84.2587 759390.0709 4.1855 4.1669 PRESSURE: 360800 -116.915 63.5983 -97.9289 63.598 323.836 -147.178 -97.9289 -147.178 -77.5443 GPRESSURE: 360800 -94.9447 -23.0443 -135.043 -3.86372 369.687 -206.762 -2.3722 -120.049 -54.7186 PRESSAVG: 360800 -8.82887 -18.8014 49.7296 -18.8014 10.8102 -56.8242 49.7296 -56.8243 -12.8542 GPRESSAVG: 360800 -9.36366 -19.5844 49.4641 -19.2847 12.6137 -55.663 50.2028 -55.8284 -14.2724 TIMING: 360800 CPU: 1201.67, 0.0031699/step Wall: 1201.67, 0.0031699/step, 4.08494 hours remaining, 231.718750 MB of memory in use. ENERGY: 360800 3935.9837 20406.9529 14380.2296 253.3145 -203168.4828 2490.1698 0.0000 0.0000 51994.8607 -109706.9717 298.8152 -161701.8324 -109348.3114 298.8912 43.1254 73.3413 759252.4908 -3.6243 -3.6741 PRESSURE: 361000 -140.578 -169.145 -13.35 -169.145 -241.51 98.0216 -13.3504 98.0215 141.581 GPRESSURE: 361000 -123.831 -221.502 -44.2322 -179.194 -148.903 169.221 111.509 111.321 130.205 PRESSAVG: 361000 10.7477 8.04343 41.0473 8.04338 -3.10982 -53.4088 41.0473 -53.4088 10.5533 GPRESSAVG: 361000 10.885 6.84889 39.8005 7.94166 -3.40111 -55.5587 42.9084 -51.7361 11.0876 TIMING: 361000 CPU: 1202.31, 0.00317845/step Wall: 1202.31, 0.00317845/step, 4.09579 hours remaining, 231.718750 MB of memory in use. ENERGY: 361000 3953.8926 20315.6443 14468.0128 255.5349 -203079.8067 2348.9085 0.0000 0.0000 52099.1589 -109638.6547 299.4146 -161737.8136 -109272.2419 298.8883 -80.1689 -47.5100 761551.7501 6.0637 6.1905 PRESSURE: 361200 -415.111 -52.5479 -327.285 -52.5481 -413.396 -126.388 -327.285 -126.388 -304.236 GPRESSURE: 361200 -370.807 -51.7275 -258.307 1.77455 -385.353 -112.273 -156.271 -67.5137 -293.689 PRESSAVG: 361200 13.6893 -22.0785 -6.61921 -22.0784 -9.97133 -39.6459 -6.61917 -39.6459 -7.30562 GPRESSAVG: 361200 10.8998 -19.0376 -4.78671 -21.6773 -7.85312 -36.8922 -5.79411 -41.9751 -6.76421 TIMING: 361200 CPU: 1202.94, 0.00317983/step Wall: 1202.94, 0.00317983/step, 4.09739 hours remaining, 231.921875 MB of memory in use. ENERGY: 361200 3994.1818 20575.1436 14457.6543 237.7449 -203104.0356 2109.9308 0.0000 0.0000 51970.6416 -109758.7386 298.6760 -161729.3802 -109400.0243 298.8797 -377.5809 -349.9494 762606.4901 -1.1959 -1.2392 PRESSURE: 361400 1.44302 -34.5883 -52.4346 -34.5881 -81.1188 132.338 -52.4348 132.337 -71.7167 GPRESSURE: 361400 45.2329 19.3905 -4.08264 -85.7388 -7.94959 224.423 -74.5919 132.287 -107.131 PRESSAVG: 361400 -56.3302 4.20184 4.81945 4.20185 24.9434 -25.9819 4.81948 -25.982 18.4495 GPRESSAVG: 361400 -54.0862 1.71134 2.95224 3.45682 22.1695 -28.0742 4.77796 -22.8474 18.6779 TIMING: 361400 CPU: 1203.58, 0.00316729/step Wall: 1203.58, 0.00316729/step, 4.08106 hours remaining, 231.921875 MB of memory in use. ENERGY: 361400 3983.9815 20735.3731 14400.3920 266.9838 -203587.8499 2650.0775 0.0000 0.0000 51768.4912 -109782.5508 297.5142 -161551.0420 -109420.5198 298.5578 -50.4641 -23.2826 760392.8559 -4.3124 -4.4129 PRESSURE: 361600 -195.928 24.1055 -62.1186 24.1059 -186.71 101.027 -62.1188 101.026 -253.568 GPRESSURE: 361600 -194.297 123.186 -116.675 20.58 -52.7606 110.991 -186.428 19.8303 -301.637 PRESSAVG: 361600 22.8645 40.7075 -14.2577 40.7075 -1.38722 51.214 -14.2578 51.214 -6.74027 GPRESSAVG: 361600 23.4255 41.7108 -11.4251 41.5553 -2.64228 53.0945 -16.8504 50.2225 -6.01503 TIMING: 361600 CPU: 1204.24, 0.00332291/step Wall: 1204.24, 0.00332291/step, 4.28139 hours remaining, 231.921875 MB of memory in use. ENERGY: 361600 4049.3785 20394.8079 14505.8665 242.9395 -203512.7406 2279.0657 0.0000 0.0000 52244.7120 -109795.9704 300.2511 -162040.6823 -109428.9546 298.3555 -212.0685 -182.8981 759756.0716 4.9123 4.9227 PRESSURE: 361800 35.8095 43.876 99.7648 43.8765 196.899 -142.422 99.7641 -142.422 230.675 GPRESSURE: 361800 181.27 -1.85111 128.749 -9.11281 177.668 -159.244 -11.0887 29.2369 198.976 PRESSAVG: 361800 12.2377 4.58411 -19.6819 4.58416 5.90492 16.3541 -19.6819 16.3541 2.47669 GPRESSAVG: 361800 11.771 5.67757 -22.3676 3.57389 7.43911 18.1314 -17.0451 16.2085 1.69858 TIMING: 361800 CPU: 1204.87, 0.00316846/step Wall: 1204.87, 0.00316846/step, 4.08221 hours remaining, 231.921875 MB of memory in use. ENERGY: 361800 4006.4322 20439.3327 14505.2546 247.1992 -203389.1335 2435.5136 0.0000 0.0000 52213.3510 -109542.0503 300.0708 -161755.4013 -109172.5512 298.7141 154.4613 185.9712 759948.0486 6.8731 6.9696 PRESSURE: 362000 129.183 -140.348 -205.757 -140.348 120.023 56.3528 -205.757 56.3527 251.515 GPRESSURE: 362000 213.61 -64.3944 -184.888 -187.352 120.75 61.4648 -181.923 62.8305 271.414 PRESSAVG: 362000 26.1002 -16.9764 25.7165 -16.9763 -12.1189 -3.56819 25.7166 -3.56821 -8.48641 GPRESSAVG: 362000 25.4915 -15.1611 27.4612 -15.8508 -12.2562 -5.18498 25.0598 -4.38668 -7.82237 TIMING: 362000 CPU: 1205.51, 0.00316786/step Wall: 1205.51, 0.00316786/step, 4.08126 hours remaining, 231.921875 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: 362000 3910.2649 20463.2247 14477.6402 245.2561 -203414.8286 2628.9182 0.0000 0.0000 51942.1634 -109747.3612 298.5123 -161689.5246 -109384.3760 298.0151 166.9072 201.9246 760430.9193 1.8316 1.8043 PRESSURE: 362200 49.6264 -244.392 -309.681 -244.393 -75.9529 118.629 -309.682 118.63 -50.3567 GPRESSURE: 362200 107.43 -234.596 -283.022 -93.5532 -18.9114 148.498 -373.324 119.994 -63.8637 PRESSAVG: 362200 21.1063 -11.7697 -8.47515 -11.7697 0.498146 -20.7311 -8.47513 -20.731 9.12944 GPRESSAVG: 362200 21.8171 -16.3585 -9.71545 -11.1816 0.307736 -20.9774 -7.0982 -19.731 8.66283 TIMING: 362200 CPU: 1206.14, 0.00317182/step Wall: 1206.14, 0.00317182/step, 4.08618 hours remaining, 231.921875 MB of memory in use. ENERGY: 362200 3960.5822 20358.1735 14453.3759 246.4101 -202909.7299 2210.7930 0.0000 0.0000 52137.8368 -109542.5584 299.6369 -161680.3952 -109179.8757 298.7226 -25.5611 8.2183 760614.6764 10.2446 10.2626 PRESSURE: 362400 146.621 31.1816 -25.4216 31.1814 164.908 -195.864 -25.4208 -195.864 283.487 GPRESSURE: 362400 115.346 17.8164 -79.3781 -44.8561 250.875 -190.352 87.6661 -235.239 315.399 PRESSAVG: 362400 -14.5247 -2.82936 15.8969 -2.82937 4.08931 -25.8583 15.8968 -25.8584 -19.3941 GPRESSAVG: 362400 -14.8233 -0.0905931 17.4672 -5.05612 4.29103 -27.8766 14.4407 -25.2992 -19.334 TIMING: 362400 CPU: 1206.78, 0.0031771/step Wall: 1206.78, 0.0031771/step, 4.09282 hours remaining, 231.921875 MB of memory in use. ENERGY: 362400 4001.6721 20393.2735 14408.3961 229.9520 -203668.5038 2866.2946 0.0000 0.0000 52007.6774 -109761.2380 298.8888 -161768.9154 -109392.6568 298.6639 198.3387 227.2068 760481.6649 -9.9431 -9.9554 PRESSURE: 362600 -110.347 -173.86 183.502 -173.86 192.219 62.6913 183.503 62.6923 21.4803 GPRESSURE: 362600 -20.7986 -124.893 93.8972 -190.428 209.97 67.2415 266.354 94.2103 20.6508 PRESSAVG: 362600 -25.993 -17.0601 18.9948 -17.0601 46.2718 -19.4177 18.9949 -19.4177 0.460697 GPRESSAVG: 362600 -25.383 -18.4866 18.1083 -15.3948 45.3903 -18.707 19.7648 -19.7167 0.294499 TIMING: 362600 CPU: 1207.41, 0.00316524/step Wall: 1207.41, 0.00316524/step, 4.07735 hours remaining, 231.921875 MB of memory in use. ENERGY: 362600 3936.3693 20673.9192 14461.1671 225.1897 -203280.9648 2802.9033 0.0000 0.0000 51640.7721 -109540.6441 296.7802 -161181.4163 -109188.0208 298.6315 34.4507 69.9407 760117.2971 6.9132 6.7673 PRESSURE: 362800 -58.4563 -258.261 284.272 -258.261 421.127 29.2704 284.273 29.2705 76.703 GPRESSURE: 362800 -7.10635 -172.562 188.123 -294.124 419.375 -38.6874 350.669 -26.0075 121.08 PRESSAVG: 362800 2.54685 -22.3796 17.6474 -22.3796 -11.4328 -7.3705 17.6474 -7.37049 -10.5381 GPRESSAVG: 362800 2.36982 -22.4529 18.102 -22.6195 -11.4135 -7.20674 17.1876 -8.80909 -9.94023 TIMING: 362800 CPU: 1208.04, 0.00315774/step Wall: 1208.04, 0.00315774/step, 4.06752 hours remaining, 231.921875 MB of memory in use. ENERGY: 362800 3975.2421 20539.3784 14574.5976 230.6258 -202998.5766 2367.9863 0.0000 0.0000 52073.0811 -109237.6652 299.2647 -161310.7464 -108891.0615 298.9660 146.4578 177.7829 761562.5249 -6.4747 -6.3280 PRESSURE: 363000 98.9014 73.9309 65.6257 73.9311 76.5868 -215.038 65.6252 -215.039 25.973 GPRESSURE: 363000 59.3709 192.316 89.0654 151.104 187.588 -180.858 -59.4863 -267.601 25.7033 PRESSAVG: 363000 -16.4265 37.3723 36.0038 37.3723 22.7962 2.18014 36.0038 2.18019 15.5667 GPRESSAVG: 363000 -17.7666 38.4825 34.7353 37.3419 22.8898 2.27859 35.5588 1.54543 16.2201 TIMING: 363000 CPU: 1208.68, 0.00319024/step Wall: 1208.68, 0.00319024/step, 4.10921 hours remaining, 231.921875 MB of memory in use. ENERGY: 363000 3953.8865 20525.1047 14451.2369 257.2365 -203216.5731 2606.2251 0.0000 0.0000 52139.8400 -109283.0434 299.6484 -161422.8834 -108923.8235 299.6412 67.1537 90.8875 762283.9180 7.3121 7.1144 PRESSURE: 363200 -386.044 66.125 -16.3805 66.1256 -285.826 211.653 -16.3806 211.652 -428.075 GPRESSURE: 363200 -217.691 81.5887 -51.8441 53.2505 -320.723 265.139 -52.3861 159.003 -459.126 PRESSAVG: 363200 56.2838 -15.6943 45.8154 -15.6942 -27.0382 16.1098 45.8154 16.1099 -20.1012 GPRESSAVG: 363200 57.2577 -14.3629 48.0056 -16.1694 -26.0126 15.7719 45.1838 16.6373 -21.8646 TIMING: 363200 CPU: 1209.31, 0.00317174/step Wall: 1209.31, 0.00317174/step, 4.08521 hours remaining, 231.921875 MB of memory in use. ENERGY: 363200 4089.4597 20468.7153 14405.8495 244.2091 -202842.7283 2160.7012 0.0000 0.0000 52240.1202 -109233.6734 300.2247 -161473.7936 -108878.3362 299.6150 -366.6484 -332.5135 762174.0043 3.0481 3.1269 PRESSURE: 363400 177.631 121.333 3.05037 121.334 344.047 -115.771 3.05114 -115.771 -55.5896 GPRESSURE: 363400 147.084 23.683 16.9379 104.319 421.289 -50.4373 -66.0548 -166.282 -13.7953 PRESSAVG: 363400 22.7578 -19.0103 43.6272 -19.0104 -22.9606 9.94583 43.6272 9.94591 24.248 GPRESSAVG: 363400 23.1189 -20.7684 41.0228 -19.8897 -23.3107 10.0019 44.21 11.479 24.7327 TIMING: 363400 CPU: 1209.94, 0.00315128/step Wall: 1209.94, 0.00315128/step, 4.05867 hours remaining, 231.921875 MB of memory in use. ENERGY: 363400 3850.9204 20494.3403 14391.9099 257.7871 -202704.5991 2324.6273 0.0000 0.0000 52214.5023 -109170.5119 300.0775 -161385.0141 -108802.3523 299.5239 155.3629 184.8594 762194.9869 8.0151 8.1803 PRESSURE: 363600 -184.647 110.628 127.642 110.628 -90.9285 36.2132 127.643 36.2131 -221.711 GPRESSURE: 363600 -211.548 80.5803 97.2949 68.2706 70.5741 -7.56363 155.818 -199.442 -267.239 PRESSAVG: 363600 -43.2699 -26.2941 31.8917 -26.2941 12.9311 -7.87529 31.8918 -7.8754 -10.7893 GPRESSAVG: 363600 -43.4652 -24.9125 32.5705 -26.4265 13.4948 -8.74857 32.4489 -9.97966 -11.4671 TIMING: 363600 CPU: 1210.58, 0.00316465/step Wall: 1210.58, 0.00316465/step, 4.07572 hours remaining, 231.921875 MB of memory in use. ENERGY: 363600 3915.6666 20533.8859 14444.8208 245.5304 -203031.9916 2470.8623 0.0000 0.0000 51972.0622 -109449.1633 298.6842 -161421.2256 -109092.7984 299.7795 -165.7620 -136.0710 762729.4721 -13.7094 -13.8125 PRESSURE: 363800 215.453 -0.0231752 -18.2041 -0.0242588 -270.662 62.0231 -18.2036 62.0232 60.2263 GPRESSURE: 363800 204.192 -26.5975 -85.9917 12.4017 -213.288 142.388 126.018 116.784 76.0416 PRESSAVG: 363800 3.27645 -0.0935788 37.0758 -0.0935907 -13.9038 5.17609 37.0757 5.17613 -2.15508 GPRESSAVG: 363800 3.70199 0.202175 34.8159 0.270608 -14.5188 6.09577 37.5086 6.02775 -2.15739 TIMING: 363800 CPU: 1211.21, 0.00315961/step Wall: 1211.21, 0.00315961/step, 4.06906 hours remaining, 231.921875 MB of memory in use. ENERGY: 363800 3994.9921 20573.0784 14463.1001 240.8725 -203142.8630 2483.0945 0.0000 0.0000 51967.3703 -109420.3551 298.6572 -161387.7255 -109067.6227 299.0187 1.6726 22.3153 762493.6886 -4.2608 -4.3247 PRESSURE: 364000 208.925 -85.1324 26.4356 -85.1327 -159.54 92.3167 26.4349 92.3174 292.331 GPRESSURE: 364000 304.937 -23.9125 54.9471 -160.517 -157.225 98.529 135.509 -14.5023 278.758 PRESSAVG: 364000 12.4158 20.7903 6.72823 20.7903 -8.60469 10.4029 6.72823 10.4029 3.73389 GPRESSAVG: 364000 11.7157 18.4672 9.18829 22.4363 -8.47946 12.3327 6.51232 10.3803 4.23219 TIMING: 364000 CPU: 1211.84, 0.0031575/step Wall: 1211.84, 0.0031575/step, 4.06616 hours remaining, 231.921875 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: 364000 3967.1264 20686.8517 14439.3779 258.9887 -202956.2179 2278.3702 0.0000 0.0000 51823.8814 -109501.6214 297.8326 -161325.5028 -109137.1898 299.0113 113.9051 142.1566 761848.7710 2.5150 2.4895 PRESSURE: 364200 -94.1989 43.387 77.4549 43.3869 92.4667 -44.3552 77.4546 -44.3534 -65.8463 GPRESSURE: 364200 2.23234 -24.0118 71.8823 120.326 43.3159 12.1283 54.2451 -82.3391 -36.238 PRESSAVG: 364200 30.1121 12.0762 4.28292 12.0762 -36.6043 -20.4333 4.28287 -20.4333 19.4415 GPRESSAVG: 364200 31.4321 13.9372 3.7182 12.0244 -37.5697 -22.7705 3.73927 -19.7046 19.0404 TIMING: 364200 CPU: 1212.47, 0.00313268/step Wall: 1212.47, 0.00313268/step, 4.03402 hours remaining, 231.921875 MB of memory in use. ENERGY: 364200 4005.7521 20616.8311 14396.1391 240.9822 -203847.4804 2967.7048 0.0000 0.0000 52193.5034 -109426.5677 299.9568 -161620.0711 -109068.6058 299.0685 -22.5261 3.1034 760942.6099 4.3164 4.3009 LDB: ============= START OF LOAD BALANCING ============== 1224.89 LDB: ============== END OF LOAD BALANCING =============== 1224.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1224.89 LDB: ============= START OF LOAD BALANCING ============== 1225.21 LDB: Largest compute 7073 load 0.034413 is 17.6% of average load 0.195066 LDB: Average compute 0.004412 is 2.3% of average load 0.195066 LDB: TIME 1225.21 LOAD: AVG 0.195066 MAX 0.214325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 1225.21 LOAD: AVG 0.195066 MAX 0.214325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: TIME 1225.21 LOAD: AVG 0.195066 MAX 0.214325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: ============== END OF LOAD BALANCING =============== 1225.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1225.22 PRESSURE: 364400 -344.171 8.31649 9.14513 8.31786 -489.678 -184.799 9.14581 -184.798 -488.346 GPRESSURE: 364400 -385.844 14.3173 44.5909 -15.1328 -404.293 -241.113 98.2237 -201.254 -447.049 PRESSAVG: 364400 -27.007 -30.4648 -19.5488 -30.4648 -34.2807 -7.83779 -19.5488 -7.83774 -0.0856418 GPRESSAVG: 364400 -27.0754 -29.3789 -18.0061 -30.3366 -34.2146 -6.94179 -18.5345 -8.04265 -0.424812 TIMING: 364400 CPU: 1213.11, 0.00322064/step Wall: 1213.11, 0.00322064/step, 4.14712 hours remaining, 232.164062 MB of memory in use. ENERGY: 364400 4068.3391 20516.9348 14500.1068 252.3738 -203746.2459 2548.4512 0.0000 0.0000 52219.0496 -109640.9906 300.1036 -161860.0403 -109273.6088 299.3211 -440.7317 -412.3955 761588.6095 -20.4578 -20.5716 PRESSURE: 364600 28.8002 84.8339 -112.534 84.8347 -201.561 -152.039 -112.535 -152.037 -103.084 GPRESSURE: 364600 50.7907 -8.95269 -192.794 154.03 -125.449 -154.976 -88.9242 -101.663 -99.3344 PRESSAVG: 364600 -13.8203 -24.8985 31.9479 -24.8985 -11.6161 5.49628 31.9479 5.4962 -5.12667 GPRESSAVG: 364600 -15.2325 -26.9169 31.1846 -25.0115 -10.8523 4.1565 32.1251 7.43377 -4.1433 TIMING: 364600 CPU: 1213.74, 0.00316741/step Wall: 1213.74, 0.00316741/step, 4.07839 hours remaining, 232.164062 MB of memory in use. ENERGY: 364600 4018.8187 20428.3179 14471.3365 232.6216 -203371.0702 2504.6960 0.0000 0.0000 51982.5584 -109732.7212 298.7445 -161715.2796 -109369.7723 299.0654 -91.9483 -57.9974 761966.2411 -10.1877 -10.0761 PRESSURE: 364800 -104.269 53.9248 -167.068 53.9249 27.6886 -148.533 -167.067 -148.533 137.96 GPRESSURE: 364800 -44.538 77.4753 -126.127 -9.67215 51.0498 -93.6954 -38.7085 -117.667 146.024 PRESSAVG: 364800 -59.5487 -51.1669 -18.0033 -51.167 35.2734 28.6184 -18.0033 28.6185 -8.90024 GPRESSAVG: 364800 -59.0434 -53.1958 -19.0526 -50.9822 35.5655 27.5987 -18.2552 28.2988 -9.54046 TIMING: 364800 CPU: 1214.38, 0.0031624/step Wall: 1214.38, 0.0031624/step, 4.07177 hours remaining, 232.464844 MB of memory in use. ENERGY: 364800 3988.1715 20466.4760 14472.5337 235.6244 -203501.1024 2547.5958 0.0000 0.0000 52204.7156 -109585.9853 300.0212 -161790.7009 -109223.0794 298.7400 20.4598 50.8451 760941.0020 -11.0585 -11.0061 PRESSURE: 365000 -110.18 -193.918 -47.917 -193.918 416.545 -12.1835 -47.916 -12.1827 109.435 GPRESSURE: 365000 -1.41172 -153.306 -36.0037 -120.245 410.345 120.382 83.1132 -114.314 108.186 PRESSAVG: 365000 -54.9458 -33.0231 65.3605 -33.0231 35.5066 3.06926 65.3605 3.06931 -32.4548 GPRESSAVG: 365000 -54.7118 -30.6592 64.8453 -34.4556 35.2142 3.56452 66.0529 4.44597 -32.5945 TIMING: 365000 CPU: 1215.03, 0.00325846/step Wall: 1215.03, 0.00325846/step, 4.19526 hours remaining, 232.464844 MB of memory in use. ENERGY: 365000 4007.6231 20490.7975 14465.4325 266.2463 -203411.8635 2644.1136 0.0000 0.0000 51966.2225 -109571.4281 298.6506 -161537.6506 -109215.7551 299.1211 138.5998 172.3732 762392.3434 -17.2980 -17.3640 PRESSURE: 365200 -243.002 1.58482 -98.0316 1.58509 -7.09079 -163.073 -98.032 -163.074 -132.614 GPRESSURE: 365200 -128.907 -45.8286 3.45985 46.9626 -3.77991 -122.821 -215.209 -230.44 -170.409 PRESSAVG: 365200 -42.4561 -73.0815 -1.57832 -73.0816 94.2986 6.1321 -1.57834 6.13209 -10.004 GPRESSAVG: 365200 -43.3622 -73.7764 1.61933 -71.7186 94.9044 7.2462 -5.63088 3.69216 -9.68439 TIMING: 365200 CPU: 1215.66, 0.00315711/step Wall: 1215.66, 0.00315711/step, 4.06461 hours remaining, 232.464844 MB of memory in use. ENERGY: 365200 4011.4052 20436.2377 14484.9121 247.5413 -203226.6070 2610.8257 0.0000 0.0000 51973.6563 -109462.0288 298.6933 -161435.6851 -109099.5742 298.7642 -127.5688 -101.0321 761482.1503 13.9462 13.9526 PRESSURE: 365400 152.589 254.977 85.7373 254.977 -258.584 -71.3149 85.7382 -71.3151 170.614 GPRESSURE: 365400 140.36 190.782 20.6417 169.703 -186.284 -118.3 190.515 -63.2878 193.935 PRESSAVG: 365400 -43.9884 -5.8099 23.3083 -5.80986 -2.01403 -11.2786 23.3082 -11.2785 9.44665 GPRESSAVG: 365400 -44.0529 -7.06078 21.965 -4.28571 -0.939871 -10.239 26.7824 -11.3265 8.43851 TIMING: 365400 CPU: 1216.29, 0.00314093/step Wall: 1216.29, 0.00314093/step, 4.0436 hours remaining, 232.464844 MB of memory in use. ENERGY: 365400 4008.5623 20514.9547 14409.1051 263.9602 -203424.9465 2722.3674 0.0000 0.0000 51923.2602 -109582.7366 298.4037 -161505.9968 -109223.3775 298.9950 21.5395 49.3373 761744.9853 -12.1853 -12.1847 PRESSURE: 365600 -399.869 149.495 230.966 149.495 -76.9542 -7.46022 230.966 -7.46052 7.85981 GPRESSURE: 365600 -308.18 99.5359 248.429 140.806 -63.9789 -100.304 143.218 65.6524 -18.0427 PRESSAVG: 365600 -38.1551 1.84735 -10.906 1.84732 26.6848 54.0446 -10.906 54.0447 -9.31343 GPRESSAVG: 365600 -37.044 4.14712 -11.2485 -1.84476 24.2326 54.3925 -9.93242 55.9026 -8.08195 TIMING: 365600 CPU: 1216.92, 0.00314296/step Wall: 1216.92, 0.00314296/step, 4.04603 hours remaining, 232.453125 MB of memory in use. ENERGY: 365600 3932.2330 20304.4681 14401.3336 258.1506 -203227.7432 2638.0139 0.0000 0.0000 52136.9937 -109556.5505 299.6320 -161693.5441 -109198.7039 298.7930 -156.3211 -130.0671 761721.7472 -6.9279 -6.9645 PRESSURE: 365800 -533.594 -130.073 -111.601 -130.074 -426.886 -81.9337 -111.601 -81.9345 -153.007 GPRESSURE: 365800 -425.365 -196.209 -64.7047 -91.4803 -453.865 -98.9499 -25.7736 -20.3365 -134.128 PRESSAVG: 365800 52.0378 -24.0843 15.0584 -24.0844 -21.2225 77.7933 15.0584 77.7933 -2.39933 GPRESSAVG: 365800 51.177 -25.2951 15.2667 -23.6562 -19.4207 76.2457 12.3635 75.4734 -3.19845 TIMING: 365800 CPU: 1217.55, 0.00316716/step Wall: 1217.55, 0.00316716/step, 4.07702 hours remaining, 232.453125 MB of memory in use. ENERGY: 365800 4085.2425 20352.9006 14465.8871 263.5398 -203020.5526 2266.4366 0.0000 0.0000 52076.2705 -109510.2755 299.2830 -161586.5460 -109143.3304 298.8022 -371.1623 -337.7861 761395.5166 9.4720 9.5193 PRESSURE: 366000 134.031 -120.804 35.645 -120.803 58.8981 -37.4397 35.6456 -37.439 -72.9861 GPRESSURE: 366000 159.32 -150.551 20.1365 50.8861 87.6592 17.2341 84.8666 34.31 -41.5354 PRESSAVG: 366000 25.2269 -72.8482 8.82893 -72.8482 -24.1678 12.6416 8.82892 12.6416 6.51365 GPRESSAVG: 366000 25.8807 -71.4804 8.58477 -71.4915 -23.7723 13.7686 9.33633 12.3628 5.43237 TIMING: 366000 CPU: 1218.18, 0.00315039/step Wall: 1218.18, 0.00315039/step, 4.05525 hours remaining, 232.453125 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: 366000 4012.7979 20450.1428 14418.4552 260.0592 -203723.3684 2797.8118 0.0000 0.0000 52178.3163 -109605.7852 299.8695 -161784.1015 -109241.2459 299.0568 39.9810 68.4814 760449.6911 2.5242 2.5136 PRESSURE: 366200 143.978 -209.247 114.678 -209.247 223.584 -246.455 114.677 -246.455 -139.56 GPRESSURE: 366200 146.7 -190.241 147.253 -174.231 190.901 -235.651 -4.49433 -303.972 -50.3923 PRESSAVG: 366200 8.29987 -9.552 29.1841 -9.55195 -7.96231 -16.3123 29.1841 -16.3123 -3.11571 GPRESSAVG: 366200 7.16214 -11.45 29.0434 -7.64757 -9.03312 -17.9784 29.8751 -16.3527 -1.77899 TIMING: 366200 CPU: 1218.81, 0.00316388/step Wall: 1218.81, 0.00316388/step, 4.07244 hours remaining, 232.453125 MB of memory in use. ENERGY: 366200 3961.2938 20303.8470 14474.3177 257.3502 -203188.8905 2588.5424 0.0000 0.0000 52159.2530 -109444.2864 299.7599 -161603.5393 -109086.6886 298.8733 76.0006 95.7361 760749.2558 -0.9261 -1.2167 PRESSURE: 366400 -129.74 -67.9883 -129.871 -67.988 78.4035 59.2141 -129.872 59.2136 150.441 GPRESSURE: 366400 -2.55601 -31.2212 -166.927 23.0015 69.861 115.459 -102.3 -12.707 134.803 PRESSAVG: 366400 -13.0128 5.54309 10.7785 5.54301 21.864 -14.8458 10.7786 -14.8458 15.4886 GPRESSAVG: 366400 -11.3708 6.45231 8.45633 3.51295 22.1641 -12.7028 11.4406 -16.7445 13.8183 TIMING: 366400 CPU: 1219.45, 0.0031676/step Wall: 1219.45, 0.0031676/step, 4.07706 hours remaining, 232.453125 MB of memory in use. ENERGY: 366400 3966.5542 20417.5145 14500.9138 237.5921 -203533.2026 2752.1483 0.0000 0.0000 52063.0404 -109595.4393 299.2070 -161658.4796 -109231.0484 298.7887 33.0347 67.3693 760830.2538 8.1133 8.2039 PRESSURE: 366600 259.481 -154.387 403.472 -154.387 145.026 196.712 403.472 196.711 78.1823 GPRESSURE: 366600 300.542 -57.0702 385.134 -188.883 133.729 190.39 417.556 230.703 150.114 PRESSAVG: 366600 -8.25955 -25.0898 30.9669 -25.0898 1.22373 32.3752 30.9669 32.3752 8.07817 GPRESSAVG: 366600 -8.82562 -23.7039 34.59 -26.0192 1.92425 31.7696 27.8723 34.0993 8.57308 TIMING: 366600 CPU: 1220.08, 0.00316656/step Wall: 1220.08, 0.00316656/step, 4.07554 hours remaining, 232.464844 MB of memory in use. ENERGY: 366600 3899.8297 20300.6166 14398.4212 246.7972 -203151.5880 2564.3399 0.0000 0.0000 52100.4550 -109641.1284 299.4220 -161741.5833 -109267.8749 298.9265 160.8964 194.7949 763238.8472 0.3474 0.5572 PRESSURE: 366800 45.9874 -182.423 76.7671 -182.423 -136.567 -164.118 76.7675 -164.118 -330.011 GPRESSURE: 366800 43.555 -46.6334 87.2202 -120.6 -101.218 -124.838 151.597 -132.919 -282.137 PRESSAVG: 366800 -11.1185 -43.0623 37.3277 -43.0623 -7.6282 28.5821 37.3278 28.5821 4.74001 GPRESSAVG: 366800 -11.7169 -45.2005 36.6217 -39.8713 -9.06373 28.6984 38.9247 28.276 5.85361 TIMING: 366800 CPU: 1220.71, 0.00315288/step Wall: 1220.71, 0.00315288/step, 4.05776 hours remaining, 232.464844 MB of memory in use. ENERGY: 366800 3970.9014 20358.6769 14479.5550 238.1762 -202982.6237 2411.7113 0.0000 0.0000 51850.7001 -109672.9028 297.9867 -161523.6029 -109305.8287 298.2469 -140.1966 -113.2666 761603.3522 -4.6689 -4.9757 PRESSURE: 367000 -183.693 -314.323 53.9036 -314.323 270.426 -64.8684 53.9041 -64.8687 -195.345 GPRESSURE: 367000 -142.547 -208.893 100.85 -275.364 323.025 -68.3718 -33.3935 -59.0183 -208.474 PRESSAVG: 367000 25.7557 7.92688 2.74222 7.92691 -34.9334 16.9123 2.74213 16.9124 -16.4583 GPRESSAVG: 367000 25.7581 11.304 2.2737 7.45396 -34.1403 18.2084 4.81029 16.4896 -17.1942 TIMING: 367000 CPU: 1221.34, 0.0031493/step Wall: 1221.34, 0.0031493/step, 4.05298 hours remaining, 232.464844 MB of memory in use. ENERGY: 367000 3987.9849 20433.3678 14439.0302 236.5638 -203005.7956 2362.0371 0.0000 0.0000 51779.2952 -109767.5165 297.5763 -161546.8118 -109404.9874 298.9295 -36.2038 -9.3320 761917.5296 -8.5453 -8.5255 PRESSURE: 367200 -93.8362 34.4367 118.496 34.4368 18.1544 -69.908 118.496 -69.9076 265.931 GPRESSURE: 367200 75.0459 -115.585 221.77 -35.2403 -4.05051 -103.704 176.886 -93.4763 229.562 PRESSAVG: 367200 37.7247 -64.6903 6.84443 -64.6902 -32.7943 -5.11845 6.84442 -5.11844 9.37321 GPRESSAVG: 367200 37.5604 -66.7172 8.34029 -65.9747 -31.4652 -6.74972 2.95732 -4.00236 8.91738 TIMING: 367200 CPU: 1221.97, 0.00315646/step Wall: 1221.97, 0.00315646/step, 4.06202 hours remaining, 232.464844 MB of memory in use. ENERGY: 367200 4010.9822 20429.7216 14466.9618 237.8500 -203333.2524 2521.5501 0.0000 0.0000 51904.8215 -109761.3652 298.2977 -161666.1867 -109413.3223 297.9780 63.4165 100.1859 761181.1098 4.7678 5.0042 PRESSURE: 367400 -413.814 -291.515 61.2088 -291.516 130.519 -71.7922 61.2087 -71.7923 -37.1148 GPRESSURE: 367400 -394.319 -319.03 92.6407 -327.151 189.572 -33.0823 70.5125 -94.1471 -40.9079 PRESSAVG: 367400 -90.0698 -66.6891 47.0995 -66.6891 81.7896 24.5485 47.0996 24.5486 -16.1057 GPRESSAVG: 367400 -89.6282 -64.968 45.9564 -68.3709 80.5561 24.5145 49.6455 24.4859 -15.6813 TIMING: 367400 CPU: 1222.6, 0.00313779/step Wall: 1222.6, 0.00313779/step, 4.03782 hours remaining, 232.464844 MB of memory in use. ENERGY: 367400 4042.8505 20527.3120 14399.7995 240.8363 -203003.8355 2361.4758 0.0000 0.0000 51887.4281 -109544.1332 298.1978 -161431.5613 -109187.6546 298.6096 -106.8032 -81.8850 761241.3624 -8.1286 -8.2512 PRESSURE: 367600 1.69439 46.7692 155.261 46.7696 -42.6113 71.6475 155.261 71.6465 -95.4195 GPRESSURE: 367600 76.9212 223.492 124.156 45.8221 15.2395 175.942 -17.5682 14.0042 -127.387 PRESSAVG: 367600 -37.3357 -18.8333 13.7739 -18.8333 58.9148 -7.33633 13.7739 -7.33635 11.1457 GPRESSAVG: 367600 -38.0488 -19.835 13.9781 -16.8713 59.2312 -6.47518 11.971 -7.77313 11.6957 TIMING: 367600 CPU: 1223.23, 0.00313124/step Wall: 1223.23, 0.00313124/step, 4.02921 hours remaining, 232.464844 MB of memory in use. ENERGY: 367600 3951.0231 20549.0666 14476.3848 244.9431 -202998.3783 2235.4429 0.0000 0.0000 51953.3296 -109588.1882 298.5765 -161541.5178 -109222.9942 298.3942 -45.4455 -11.7419 761078.5892 10.9083 10.9594 PRESSURE: 367800 -18.6118 -99.071 -58.9363 -99.0718 -162.016 -89.1934 -58.9363 -89.1936 70.5596 GPRESSURE: 367800 12.5492 13.8638 -106.823 -85.1385 -83.0158 -19.0845 -62.5313 -95.2197 64.1557 PRESSAVG: 367800 -7.01434 -33.6618 -24.6262 -33.6618 3.57109 -50.5729 -24.6261 -50.5728 -31.7232 GPRESSAVG: 367800 -7.84487 -33.4575 -27.0038 -35.2155 4.13962 -50.249 -23.5559 -49.3999 -31.9462 TIMING: 367800 CPU: 1223.86, 0.0031465/step Wall: 1223.86, 0.0031465/step, 4.04867 hours remaining, 232.464844 MB of memory in use. ENERGY: 367800 3977.9276 20396.5410 14464.3373 237.2529 -203382.2883 2670.5512 0.0000 0.0000 52033.2178 -109602.4604 299.0356 -161635.6783 -109246.8668 298.5982 -36.6894 -2.1037 761120.7164 -11.7222 -11.8838 PRESSURE: 368000 -27.3455 68.4519 3.86176 68.4517 -87.6996 191.084 3.86212 191.084 57.7139 GPRESSURE: 368000 -30.7553 42.467 -51.9822 -3.45956 -79.6351 129.987 33.3363 218.601 152.022 PRESSAVG: 368000 27.7178 -7.7859 15.2343 -7.78586 -24.8982 -34.6585 15.2343 -34.6585 -2.84127 GPRESSAVG: 368000 28.9448 -9.184 16.3553 -7.69999 -25.3898 -36.4709 17.5084 -34.8746 -3.3821 TIMING: 368000 CPU: 1224.49, 0.00315592/step Wall: 1224.49, 0.00315592/step, 4.06062 hours remaining, 232.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 4014.8131 20494.5219 14399.3550 250.7880 -203343.0757 2689.1392 0.0000 0.0000 51899.9758 -109594.4826 298.2699 -161494.4584 -109243.7967 298.6338 -19.1104 13.8772 763665.0939 -0.0072 0.0576 PRESSURE: 368200 158.198 -9.83928 159.62 -9.83974 114.886 12.0839 159.619 12.083 269.009 GPRESSURE: 368200 216.077 -25.3062 214.549 92.5203 132.532 -13.7169 80.3831 -108.892 304.799 PRESSAVG: 368200 -54.1864 32.0724 58.2516 32.0724 47.7926 -9.94674 58.2516 -9.94677 10.1292 GPRESSAVG: 368200 -53.1315 31.6963 58.8148 32.866 47.0984 -10.7172 56.5233 -9.64889 9.55375 TIMING: 368200 CPU: 1225.12, 0.00315539/step Wall: 1225.12, 0.00315539/step, 4.05977 hours remaining, 232.464844 MB of memory in use. ENERGY: 368200 3978.1352 20583.9178 14453.9292 230.2847 -203376.2587 2743.2692 0.0000 0.0000 51748.9347 -109637.7879 297.4018 -161386.7226 -109286.1347 298.8974 180.6975 217.8027 759719.1400 1.2452 1.1736 LDB: ============= START OF LOAD BALANCING ============== 1237.54 LDB: ============== END OF LOAD BALANCING =============== 1237.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1237.54 LDB: ============= START OF LOAD BALANCING ============== 1237.86 LDB: Largest compute 7034 load 0.036072 is 18.5% of average load 0.195072 LDB: Average compute 0.004399 is 2.3% of average load 0.195072 LDB: TIME 1237.86 LOAD: AVG 0.195072 MAX 0.214681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.234 MB LDB: TIME 1237.86 LOAD: AVG 0.195072 MAX 0.214681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.348 MB LDB: TIME 1237.86 LOAD: AVG 0.195072 MAX 0.214681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.348 MB LDB: ============== END OF LOAD BALANCING =============== 1237.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1237.87 PRESSURE: 368400 11.6627 95.9687 101.105 95.9697 -26.0701 -91.5614 101.104 -91.5615 -25.3737 GPRESSURE: 368400 33.623 65.3854 116.506 86.8912 -2.0739 -127.855 86.7162 20.882 -2.97671 PRESSAVG: 368400 33.6953 1.80659 18.2315 1.80661 22.5136 -50.5502 18.2315 -50.5503 10.7865 GPRESSAVG: 368400 32.3983 4.92914 17.7429 0.856038 23.5057 -48.9028 19.7896 -52.8268 11.2992 TIMING: 368400 CPU: 1225.76, 0.00323062/step Wall: 1225.76, 0.00323062/step, 4.15637 hours remaining, 229.851562 MB of memory in use. ENERGY: 368400 4064.6303 20404.8807 14406.8594 245.9684 -203427.3129 2526.1071 0.0000 0.0000 52085.5522 -109693.3149 299.3364 -161778.8671 -109338.5746 298.8189 -13.2604 9.5241 760835.2319 22.3318 22.4011 PRESSURE: 368600 212.631 139.169 -9.73821 139.168 213.93 -303.72 -9.73809 -303.721 -39.2777 GPRESSURE: 368600 301.092 135.036 -68.2996 91.5499 193.931 -195.454 -112.175 -194.275 -40.3592 PRESSAVG: 368600 40.8298 16.7616 -12.4339 16.7616 -26.1555 -90.2459 -12.4339 -90.2459 26.4996 GPRESSAVG: 368600 41.0764 13.3833 -12.4094 17.7683 -26.4413 -89.8684 -13.7189 -88.7951 26.4038 TIMING: 368600 CPU: 1226.4, 0.00316784/step Wall: 1226.4, 0.00316784/step, 4.07543 hours remaining, 229.851562 MB of memory in use. ENERGY: 368600 3974.3399 20377.1414 14398.2524 247.2501 -203524.4512 2758.4478 0.0000 0.0000 51923.2840 -109845.7355 298.4038 -161769.0195 -109483.5963 298.7882 129.0947 151.5545 762610.3528 13.7246 13.6797 PRESSURE: 368800 -255.044 -198.093 -35.8158 -198.093 51.6818 200.779 -35.8159 200.778 -427.515 GPRESSURE: 368800 -175.614 -227.437 18.3754 -161.501 72.8606 233.481 -172.259 144.512 -446.182 PRESSAVG: 368800 -46.7181 -11.9678 34.0677 -11.9678 28.8489 16.0897 34.0677 16.0897 -1.91683 GPRESSAVG: 368800 -47.2124 -10.8177 35.9167 -13.0004 28.7505 15.8994 33.0135 15.7268 -1.31207 TIMING: 368800 CPU: 1227.02, 0.00313939/step Wall: 1227.02, 0.00313939/step, 4.03866 hours remaining, 230.054688 MB of memory in use. ENERGY: 368800 3992.0350 20464.4418 14396.9479 257.7429 -203494.3865 2674.4345 0.0000 0.0000 51998.0514 -109710.7330 298.8335 -161708.7844 -109347.6367 298.5952 -210.2924 -182.9784 762099.2130 -6.5953 -6.5913 PRESSURE: 369000 -107.387 -168.187 -97.4495 -168.186 -67.7862 234.388 -97.45 234.388 2.0645 GPRESSURE: 369000 -47.7299 -140.014 -99.7616 -234.029 -58.4224 311.016 -102.003 192.605 29.8585 PRESSAVG: 369000 -13.3584 -40.5027 -36.4895 -40.5026 19.4332 1.74357 -36.4895 1.74361 -5.01338 GPRESSAVG: 369000 -13.3617 -40.9762 -37.7506 -39.9963 19.4793 1.27104 -35.8378 3.6828 -5.13156 TIMING: 369000 CPU: 1227.65, 0.00314684/step Wall: 1227.65, 0.00314684/step, 4.04806 hours remaining, 230.054688 MB of memory in use. ENERGY: 369000 4079.7894 20468.9792 14390.7724 261.9675 -203518.7629 2770.8292 0.0000 0.0000 52113.5805 -109432.8446 299.4975 -161546.4251 -109066.0112 298.8478 -57.7027 -25.4313 761620.7062 0.3538 0.3287 PRESSURE: 369200 -11.1714 2.31787 40.3861 2.31764 -157.645 -114.798 40.3875 -114.799 44.8201 GPRESSURE: 369200 -10.0397 79.9018 88.4463 -8.64166 -53.3494 -77.986 -94.1614 24.4161 56.0075 PRESSAVG: 369200 62.3223 -42.9199 -22.3821 -42.9199 -27.3166 -10.719 -22.3821 -10.7192 9.16487 GPRESSAVG: 369200 61.4671 -38.5937 -23.7037 -44.2564 -25.3268 -8.01147 -22.3254 -13.0893 8.58858 TIMING: 369200 CPU: 1228.29, 0.00316508/step Wall: 1228.29, 0.00316508/step, 4.07135 hours remaining, 230.054688 MB of memory in use. ENERGY: 369200 3972.9618 20349.1074 14458.8353 259.0011 -203286.7326 2585.0742 0.0000 0.0000 52108.8567 -109552.8962 299.4703 -161661.7528 -109178.7636 299.6794 -41.3320 -2.4605 760363.4839 14.7235 14.9096 PRESSURE: 369400 -31.3278 315.495 -132.547 315.495 -197.033 12.2571 -132.546 12.2589 -682.202 GPRESSURE: 369400 -11.9262 313.231 -220.854 195.65 -126.525 82.9628 65.9367 75.3194 -684.539 PRESSAVG: 369400 12.3355 -41.9865 55.0023 -41.9865 11.2814 17.2021 55.0023 17.2021 8.28079 GPRESSAVG: 369400 15.3112 -45.0571 56.2549 -39.6338 8.00684 14.2923 55.338 18.9985 9.1322 TIMING: 369400 CPU: 1228.92, 0.00316271/step Wall: 1228.92, 0.00316271/step, 4.06812 hours remaining, 230.054688 MB of memory in use. ENERGY: 369400 3999.2227 20452.1212 14480.5012 252.3234 -202987.7497 2298.9903 0.0000 0.0000 51991.5932 -109512.9977 298.7964 -161504.5909 -109149.7960 298.8154 -303.5209 -274.3300 759973.3592 10.6326 10.8167 PRESSURE: 369600 -186.436 178.311 87.0721 178.311 76.537 -121.321 87.0722 -121.32 172.507 GPRESSURE: 369600 -133.683 83.0349 97.4557 204.518 85.0956 -74.9527 50.1855 -280.106 186.637 PRESSAVG: 369600 -17.5545 -15.9706 -6.39466 -15.9706 -15.6386 -12.9823 -6.39464 -12.9823 0.932257 GPRESSAVG: 369600 -18.6646 -16.1398 -7.19874 -16.9547 -14.4251 -11.9441 -4.04981 -15.5327 0.133091 TIMING: 369600 CPU: 1229.56, 0.0031778/step Wall: 1229.56, 0.0031778/step, 4.08735 hours remaining, 230.054688 MB of memory in use. ENERGY: 369600 3939.3572 20533.4888 14370.6931 229.5817 -203238.0197 2332.2086 0.0000 0.0000 52282.2834 -109550.4068 300.4670 -161832.6903 -109185.8278 299.2564 20.8693 46.0164 759292.0736 -10.7536 -10.9855 PRESSURE: 369800 265.833 -186.955 86.139 -186.954 320.974 -248.541 86.1381 -248.541 184.776 GPRESSURE: 369800 286.792 -15.2812 78.7216 -183.605 376.339 -308.017 -8.86218 -170.41 200.969 PRESSAVG: 369800 0.200706 13.5847 21.9458 13.5846 -45.9797 -55.3182 21.9458 -55.3182 -3.97466 GPRESSAVG: 369800 -0.573621 13.9438 22.4593 14.885 -45.5949 -55.4053 17.5865 -54.98 -3.76963 TIMING: 369800 CPU: 1230.19, 0.00317426/step Wall: 1230.19, 0.00317426/step, 4.08262 hours remaining, 230.054688 MB of memory in use. ENERGY: 369800 3988.0805 20270.9166 14513.7440 252.2066 -203320.0612 2465.5024 0.0000 0.0000 52073.7053 -109755.9058 299.2683 -161829.6111 -109391.8670 298.7027 257.1946 288.0334 758724.5361 -16.5845 -16.6461 PRESSURE: 370000 30.3218 -204.919 -36.5049 -204.919 168.748 72.7895 -36.5051 72.7905 131.179 GPRESSURE: 370000 28.1652 -111.592 21.6269 -178.837 194.096 165.106 -107.597 53.7655 176.46 PRESSAVG: 370000 39.7231 -29.8399 -34.6863 -29.8399 -28.8845 -37.6327 -34.6863 -37.6328 -13.931 GPRESSAVG: 370000 40.2146 -26.3711 -33.5851 -32.6594 -29.8663 -37.9367 -32.1219 -37.8045 -14.4971 TIMING: 370000 CPU: 1230.83, 0.00319205/step Wall: 1230.83, 0.00319205/step, 4.10533 hours remaining, 230.054688 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: 370000 3953.5072 20477.5000 14444.6198 244.2663 -203369.7432 2518.4882 0.0000 0.0000 51888.4335 -109842.9281 298.2035 -161731.3616 -109477.7151 298.8465 110.0829 132.9071 759135.2406 -1.0308 -1.3829 PRESSURE: 370200 256.833 -60.9727 -192.177 -60.9725 54.7999 43.3821 -192.177 43.3825 -86.8762 GPRESSURE: 370200 190.476 -28.7494 -231.611 -143.635 98.7426 72.4716 -253.954 111.051 16.5184 PRESSAVG: 370200 -11.8017 10.6146 30.5004 10.6146 -28.4399 -35.5823 30.5004 -35.5823 -2.21163 GPRESSAVG: 370200 -12.3463 7.03248 28.9922 10.7168 -27.9928 -35.5915 30.9521 -36.0446 -2.38134 TIMING: 370200 CPU: 1231.46, 0.00315891/step Wall: 1231.46, 0.00315891/step, 4.06254 hours remaining, 230.054688 MB of memory in use. ENERGY: 370200 3905.2555 20334.2776 14491.6835 244.4621 -203374.8879 2603.3838 0.0000 0.0000 52065.3086 -109730.5166 299.2200 -161795.8252 -109372.5193 298.7341 74.9189 101.9124 759865.0104 -14.1511 -14.2401 PRESSURE: 370400 -3.89314 239.203 -45.8382 239.203 -317.174 -113.544 -45.8366 -113.544 -88.0757 GPRESSURE: 370400 73.8685 261.311 -59.1876 315.612 -328.191 -86.4498 -37.7663 -178.631 -63.1649 PRESSAVG: 370400 6.35116 -60.2558 -34.0526 -60.2557 -2.7905 -17.3931 -34.0527 -17.3931 9.17623 GPRESSAVG: 370400 6.20386 -58.5413 -33.9132 -59.3737 -4.34348 -18.0792 -34.9028 -15.7542 10.7342 TIMING: 370400 CPU: 1232.1, 0.00319422/step Wall: 1232.1, 0.00319422/step, 4.10777 hours remaining, 230.054688 MB of memory in use. ENERGY: 370400 3916.7033 20490.6155 14494.6436 261.9102 -203195.0728 2388.0804 0.0000 0.0000 51861.6887 -109781.4313 298.0498 -161643.1199 -109426.6406 298.2315 -136.3809 -105.8293 761754.9842 4.2456 4.1982 PRESSURE: 370600 183.745 53.6512 156.97 53.6513 -189.952 -57.1323 156.97 -57.1327 -474.543 GPRESSURE: 370600 204.669 19.1639 96.0911 -7.53055 -80.415 26.2219 247.885 -112.415 -509.821 PRESSAVG: 370600 31.2248 -26.0443 26.3428 -26.0444 -35.4302 -29.7173 26.3428 -29.7173 -10.5352 GPRESSAVG: 370600 33.2856 -25.7309 26.4242 -25.9359 -35.7443 -31.2258 29.0495 -29.388 -12.0888 TIMING: 370600 CPU: 1232.74, 0.00319964/step Wall: 1232.74, 0.00319964/step, 4.11456 hours remaining, 230.054688 MB of memory in use. ENERGY: 370600 3943.8535 20432.6931 14419.3287 263.8128 -203232.2144 2319.5146 0.0000 0.0000 52017.3297 -109835.6819 298.9443 -161853.0117 -109474.0450 298.4047 -160.2500 -128.5222 760450.1619 -4.9135 -4.8492 PRESSURE: 370800 230.457 27.5415 15.414 27.5415 270.093 -72.0255 15.4135 -72.0253 308.859 GPRESSURE: 370800 309.848 59.8283 -52.5098 67.3535 380.925 -99.0081 -46.6117 -78.6206 224.846 PRESSAVG: 370800 -18.185 -96.3478 41.9061 -96.3479 14.2694 -15.3097 41.9061 -15.3096 15.4416 GPRESSAVG: 370800 -19.1302 -99.2106 42.1744 -94.19 15.619 -13.4698 40.908 -14.4515 14.9083 TIMING: 370800 CPU: 1233.38, 0.00320312/step Wall: 1233.38, 0.00320312/step, 4.11886 hours remaining, 230.054688 MB of memory in use. ENERGY: 370800 3884.9497 20390.6942 14367.6477 229.9294 -203442.9951 2522.3523 0.0000 0.0000 52105.0113 -109942.4106 299.4482 -162047.4219 -109569.9075 298.4861 269.8027 305.2064 759849.1143 3.8420 3.7990 PRESSURE: 371000 -148.828 193.469 191.391 193.469 -97.64 238.026 191.392 238.026 343.303 GPRESSURE: 371000 -172.209 249.202 298.898 95.4313 -92.5938 233.671 172.701 293.986 431.785 PRESSAVG: 371000 -24.9806 -28.292 5.28288 -28.292 28.466 -3.22757 5.28286 -3.2276 0.14747 GPRESSAVG: 371000 -25.4984 -26.0227 6.71123 -29.8048 28.6416 -3.17319 5.18907 -3.78405 0.000690697 TIMING: 371000 CPU: 1234.01, 0.00315538/step Wall: 1234.01, 0.00315538/step, 4.0573 hours remaining, 230.054688 MB of memory in use. ENERGY: 371000 3999.3068 20576.6624 14422.7735 234.2543 -203526.2562 2462.3169 0.0000 0.0000 52042.3132 -109788.6291 299.0879 -161830.9423 -109416.1051 298.7718 32.2783 55.6608 759239.2557 1.2110 1.0479 PRESSURE: 371200 -133.571 30.0339 15.6496 30.0346 -55.5487 -23.1092 15.6494 -23.1088 -348.046 GPRESSURE: 371200 -115.225 2.07328 -42.458 62.026 -18.5352 -57.4914 -130.122 -85.9422 -310.194 PRESSAVG: 371200 -16.679 -39.9927 53.5598 -39.9928 17.1159 11.2098 53.5597 11.2099 13.0022 GPRESSAVG: 371200 -14.1544 -38.0987 50.7503 -41.4847 15.7293 11.3268 53.1783 9.77603 12.8907 TIMING: 371200 CPU: 1234.67, 0.00328561/step Wall: 1234.67, 0.00328561/step, 4.22457 hours remaining, 230.054688 MB of memory in use. ENERGY: 371200 4027.0727 20518.1705 14456.8408 254.4121 -203498.6031 2537.8585 0.0000 0.0000 51778.8115 -109925.4371 297.5735 -161704.2486 -109559.8195 299.1088 -179.0551 -147.9847 760658.3481 4.4797 4.8219 PRESSURE: 371400 -45.436 193.63 178.511 193.629 -207.096 -108.098 178.511 -108.098 -2.71844 GPRESSURE: 371400 -127.812 83.4147 45.0967 34.3322 -51.497 -70.722 154.264 -103.638 44.8018 PRESSAVG: 371400 -5.681 -16.54 34.4412 -16.54 47.7198 -2.23905 34.4411 -2.23905 -9.31775 GPRESSAVG: 371400 -7.55001 -21.3398 35.0726 -14.9118 49.7303 -0.506518 34.6168 -1.6288 -9.11218 TIMING: 371400 CPU: 1235.3, 0.00316/step Wall: 1235.3, 0.00316/step, 4.06288 hours remaining, 230.054688 MB of memory in use. ENERGY: 371400 4046.2602 20416.4058 14402.0531 241.1189 -202967.1409 1902.6763 0.0000 0.0000 52203.0558 -109755.5708 300.0117 -161958.6266 -109397.7372 298.6773 -85.0835 -44.8356 758170.0653 10.9070 11.0227 PRESSURE: 371600 -291.508 -67.3727 -136.034 -67.3722 -80.5698 82.4901 -136.034 82.4903 -116.93 GPRESSURE: 371600 -322.178 -99.182 -174.646 76.3239 -8.11635 48.7239 -196.662 178.04 -65.3204 PRESSAVG: 371600 16.717 -39.604 12.0037 -39.604 35.2096 -37.1601 12.0036 -37.1601 4.10326 GPRESSAVG: 371600 16.0568 -35.7045 13.6887 -39.4907 35.1369 -39.8187 10.4375 -37.7725 4.66885 TIMING: 371600 CPU: 1235.93, 0.0031505/step Wall: 1235.93, 0.00315049/step, 4.05049 hours remaining, 230.054688 MB of memory in use. ENERGY: 371600 3987.2771 20437.3504 14506.4380 257.2935 -203181.5602 2227.8837 0.0000 0.0000 51947.2189 -109818.0987 298.5414 -161765.3177 -109457.6352 298.9423 -163.0025 -131.8714 757706.5424 18.6766 18.6208 PRESSURE: 371800 189.954 -84.3305 118.367 -84.3297 377.764 -185.71 118.367 -185.711 125.694 GPRESSURE: 371800 218.301 -178.076 151.867 -8.75152 365.998 -231.88 67.8691 -120.63 189.688 PRESSAVG: 371800 6.10846 -38.0848 11.6024 -38.0848 22.3215 -17.6389 11.6024 -17.6389 -1.50853 GPRESSAVG: 371800 6.94648 -38.419 11.1167 -37.88 20.7182 -18.0725 12.3378 -16.9906 -1.00637 TIMING: 371800 CPU: 1236.56, 0.00315181/step Wall: 1236.56, 0.00315181/step, 4.052 hours remaining, 230.054688 MB of memory in use. ENERGY: 371800 3919.0617 20412.5395 14490.3765 252.0336 -203417.7511 2414.8418 0.0000 0.0000 52093.5055 -109835.3926 299.3821 -161928.8981 -109468.9310 298.9400 231.1372 257.9956 759402.6108 8.9738 8.8861 PRESSURE: 372000 -198.542 119.423 44.3532 119.422 -254.584 -209.408 44.3534 -209.407 91.9995 GPRESSURE: 372000 -122.973 75.0376 12.2972 87.5523 -207.791 -219.849 65.2046 -283.811 78.9746 PRESSAVG: 372000 2.64225 12.2719 2.1733 12.272 11.2419 -0.702086 2.17324 -0.702088 -12.3384 GPRESSAVG: 372000 2.58798 10.1469 -1.384 13.6031 11.9473 -0.158608 3.61615 -0.862463 -13.3177 TIMING: 372000 CPU: 1237.19, 0.00313751/step Wall: 1237.19, 0.00313751/step, 4.03345 hours remaining, 230.054688 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: 372000 3970.8608 20356.1213 14421.8629 243.9260 -203608.0055 2534.4027 0.0000 0.0000 52164.1461 -109916.6858 299.7881 -162080.8319 -109552.6099 298.5422 -120.3754 -83.9295 760617.5960 0.5153 0.4059 PRESSURE: 372200 104.473 250.15 158.164 250.15 173.194 35.2703 158.164 35.2714 149.227 GPRESSURE: 372200 147.25 168.788 88.4171 135.397 175.251 -3.63863 253.051 -48.2263 205.621 PRESSAVG: 372200 32.3707 -7.24175 29.8896 -7.24178 22.5107 4.54254 29.8897 4.54251 10.0499 GPRESSAVG: 372200 32.1214 -3.13842 33.0937 -9.53264 23.504 4.91957 29.1562 7.73125 9.444 TIMING: 372200 CPU: 1237.82, 0.00317208/step Wall: 1237.82, 0.00317208/step, 4.07771 hours remaining, 230.054688 MB of memory in use. ENERGY: 372200 3991.1276 20477.6148 14415.3260 239.6174 -203694.3184 2792.5079 0.0000 0.0000 52060.3586 -109717.7661 299.1916 -161778.1247 -109363.4933 298.8986 142.2980 176.0407 761383.0584 21.6437 21.6898 LDB: ============= START OF LOAD BALANCING ============== 1250.25 LDB: ============== END OF LOAD BALANCING =============== 1250.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1250.25 LDB: ============= START OF LOAD BALANCING ============== 1250.57 LDB: Largest compute 7033 load 0.034717 is 17.8% of average load 0.195056 LDB: Average compute 0.004425 is 2.3% of average load 0.195056 LDB: TIME 1250.57 LOAD: AVG 0.195056 MAX 0.215623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.199 MB LDB: TIME 1250.57 LOAD: AVG 0.195056 MAX 0.215623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: TIME 1250.57 LOAD: AVG 0.195056 MAX 0.215623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: ============== END OF LOAD BALANCING =============== 1250.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1250.58 PRESSURE: 372400 27.8843 -44.2695 -105.337 -44.2689 111.102 180.33 -105.337 180.329 275.288 GPRESSURE: 372400 166.959 36.8366 -54.5106 -5.41113 62.5467 195.471 -105.868 157.541 239.723 PRESSAVG: 372400 77.4233 -21.1213 -6.56261 -21.1212 -50.1997 -4.16994 -6.56259 -4.16993 27.4601 GPRESSAVG: 372400 77.999 -23.6098 -6.30768 -19.1337 -51.1133 -3.70797 -6.13353 -8.40167 28.2288 TIMING: 372400 CPU: 1238.47, 0.00324993/step Wall: 1238.47, 0.00324993/step, 4.17761 hours remaining, 229.710938 MB of memory in use. ENERGY: 372400 3977.7210 20318.6286 14524.6917 240.8992 -203073.8800 2306.1752 0.0000 0.0000 52029.2473 -109676.5170 299.0128 -161705.7643 -109315.3116 299.1606 138.0913 156.4098 761720.1701 18.2279 18.3715 PRESSURE: 372600 168.436 6.95598 99.8616 6.95589 -6.50453 106.494 99.8614 106.493 -471.731 GPRESSURE: 372600 131.848 -21.1926 44.2053 -125.937 59.5047 59.0855 237.105 0.858846 -435.405 PRESSAVG: 372600 34.0952 9.45493 46.9232 9.455 -42.0642 6.27366 46.9232 6.27364 20.2651 GPRESSAVG: 372600 33.3892 6.69448 46.1398 10.0354 -41.2869 5.9827 46.8634 5.7909 20.3904 TIMING: 372600 CPU: 1239.11, 0.00316324/step Wall: 1239.11, 0.00316324/step, 4.066 hours remaining, 229.968750 MB of memory in use. ENERGY: 372600 3953.1060 20310.9791 14491.9877 216.4642 -203374.1509 2375.9353 0.0000 0.0000 52320.2445 -109705.4341 300.6852 -162025.6786 -109342.1138 299.0703 -103.2666 -81.3509 760802.9891 4.0987 4.1642 PRESSURE: 372800 -43.5705 -45.3857 -36.2277 -45.3871 -43.2693 -208.671 -36.2275 -208.671 -123.55 GPRESSURE: 372800 74.2546 -51.5336 -52.2094 -125.583 -109.528 -106.443 -4.00738 -156.559 -80.002 PRESSAVG: 372800 39.4752 -39.6923 57.5797 -39.6924 -23.442 -26.732 57.5797 -26.7319 9.59665 GPRESSAVG: 372800 40.1478 -36.776 57.4208 -41.6496 -23.972 -26.4672 56.5424 -25.3795 9.7744 TIMING: 372800 CPU: 1239.74, 0.00316237/step Wall: 1239.74, 0.00316237/step, 4.0647 hours remaining, 229.968750 MB of memory in use. ENERGY: 372800 3945.9447 20361.7025 14564.9992 213.5456 -203452.2499 2455.6555 0.0000 0.0000 52248.3312 -109662.0712 300.2719 -161910.4025 -109309.6767 299.0411 -70.1299 -38.4253 760550.9104 8.5433 8.6501 PRESSURE: 373000 141.034 118.194 -19.6356 118.195 -121.107 -169.244 -19.6351 -169.244 137.212 GPRESSURE: 373000 85.4372 98.0481 41.2245 83.5584 -9.53518 -229.235 5.94803 -145.267 190.356 PRESSAVG: 373000 17.3673 -23.0557 -21.0329 -23.0556 5.50461 -29.9492 -21.0329 -29.9492 16.7674 GPRESSAVG: 373000 15.3847 -22.5686 -21.2247 -22.6506 5.43967 -31.5316 -19.6376 -30.5207 18.5793 TIMING: 373000 CPU: 1240.37, 0.00315632/step Wall: 1240.37, 0.00315632/step, 4.05675 hours remaining, 229.968750 MB of memory in use. ENERGY: 373000 3975.3626 20417.1804 14483.0854 231.7585 -203202.1982 2571.7525 0.0000 0.0000 51927.0799 -109595.9789 298.4256 -161523.0588 -109229.4380 298.9657 52.3798 88.7527 760443.1379 13.2131 13.1345 PRESSURE: 373200 243.306 -5.37171 -131.098 -5.37133 -220.603 -14.7829 -131.097 -14.7825 88.2083 GPRESSURE: 373200 342.305 -79.2191 -144.039 -32.5295 -228.167 14.2394 -196.273 -118.753 67.3274 PRESSAVG: 373200 1.48731 -18.9311 43.8152 -18.931 48.4101 -34.4448 43.8152 -34.4448 -2.87937 GPRESSAVG: 373200 2.97274 -19.8976 44.9178 -18.8843 48.4573 -32.5423 42.139 -35.0618 -4.26317 TIMING: 373200 CPU: 1241, 0.00315302/step Wall: 1241, 0.00315302/step, 4.05233 hours remaining, 229.968750 MB of memory in use. ENERGY: 373200 3887.5450 20452.7123 14457.6833 246.8109 -203570.2625 2653.6056 0.0000 0.0000 52149.5885 -109722.3168 299.7044 -161871.9053 -109365.3550 299.1449 36.9705 60.4885 760434.1632 15.6727 15.7223 PRESSURE: 373400 -175.223 -109.098 66.3539 -109.099 283.64 45.6336 66.354 45.6347 227.779 GPRESSURE: 373400 -215.72 -24.6128 83.0451 -47.5062 348.076 11.1244 160.262 -25.4831 277.425 PRESSAVG: 373400 -39.5514 -40.9648 -23.4265 -40.965 27.7063 -10.7804 -23.4265 -10.7803 2.17726 GPRESSAVG: 373400 -39.7813 -38.8849 -23.9594 -40.79 26.8432 -12.1555 -23.0778 -9.42382 3.08379 TIMING: 373400 CPU: 1241.63, 0.00315502/step Wall: 1241.63, 0.00315502/step, 4.05473 hours remaining, 229.968750 MB of memory in use. ENERGY: 373400 3906.2297 20464.7607 14438.7133 238.1578 -203306.4212 2482.8369 0.0000 0.0000 52007.5523 -109768.1704 298.8881 -161775.7227 -109403.9403 298.9537 112.0651 136.5938 760855.6923 -3.2226 -3.2848 PRESSURE: 373600 -484.059 49.1972 -89.8274 49.1973 -119.146 179.224 -89.827 179.224 -363.418 GPRESSURE: 373600 -416.3 -42.3368 -149.431 40.3789 -100.836 218.776 -162.749 209.07 -347.525 PRESSAVG: 373600 -30.0398 -50.4446 14.5975 -50.4445 -6.99957 -3.85987 14.5974 -3.85982 17.8089 GPRESSAVG: 373600 -29.8236 -54.5655 13.4876 -49.544 -5.1647 -3.57158 14.9847 -3.63584 16.355 TIMING: 373600 CPU: 1242.26, 0.003154/step Wall: 1242.26, 0.003154/step, 4.05324 hours remaining, 229.968750 MB of memory in use. ENERGY: 373600 3977.0809 20347.8577 14435.9032 257.8062 -203302.4453 2400.2937 0.0000 0.0000 52107.4636 -109776.0400 299.4623 -161883.5035 -109408.7863 298.6812 -322.2077 -288.2207 761456.4805 -6.4102 -6.2111 PRESSURE: 373800 -134.524 -175.06 -48.1593 -175.059 -235.102 111.488 -48.1591 111.487 -434.756 GPRESSURE: 373800 -97.928 -144.564 -55.1561 -81.2956 -224.069 53.219 -104.594 27.3562 -413.785 PRESSAVG: 373800 -62.0148 -39.8505 34.7297 -39.8505 61.4546 10.2021 34.7296 10.2021 -17.9174 GPRESSAVG: 373800 -61.8672 -37.0227 38.1678 -40.6391 59.2834 9.08171 34.9095 9.79951 -16.2215 TIMING: 373800 CPU: 1242.89, 0.00314706/step Wall: 1242.89, 0.00314706/step, 4.04415 hours remaining, 230.207031 MB of memory in use. ENERGY: 373800 4019.5645 20385.3866 14412.3836 259.2202 -203378.9858 2446.7285 0.0000 0.0000 52012.2032 -109843.4992 298.9148 -161855.7024 -109482.1261 298.8681 -268.1274 -245.2607 761700.1502 -6.1592 -6.2684 PRESSURE: 374000 -286.21 109.241 83.7186 109.241 37.0747 -152.442 83.72 -152.442 -58.1686 GPRESSURE: 374000 -233.491 138.17 30.6738 31.2266 36.2399 -188.345 73.4741 -23.8168 -28.4949 PRESSAVG: 374000 8.58158 -66.7477 -8.61222 -66.7476 -9.3444 -33.5965 -8.6122 -33.5964 32.9087 GPRESSAVG: 374000 7.31514 -67.988 -12.0542 -67.1708 -8.7085 -31.8667 -7.5446 -32.9049 33.333 TIMING: 374000 CPU: 1243.52, 0.00317125/step Wall: 1243.52, 0.00317125/step, 4.07506 hours remaining, 230.207031 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: 374000 4075.1307 20489.4095 14424.7748 242.3218 -203333.0661 2596.1472 0.0000 0.0000 51786.7252 -109718.5568 297.6190 -161505.2820 -109361.0944 298.3347 -102.4345 -75.2487 761734.7773 10.7153 10.6465 PRESSURE: 374200 -0.255898 -45.2045 -11.6953 -45.2044 -245.009 254.924 -11.6951 254.925 35.9902 GPRESSURE: 374200 21.1856 -9.27983 34.2395 -34.8776 -221.994 230.975 25.5793 210.531 76.3825 PRESSAVG: 374200 22.5439 1.81311 8.70769 1.81311 -60.6259 -12.6506 8.70776 -12.6505 -6.82135 GPRESSAVG: 374200 22.9195 3.1634 9.56842 2.66083 -60.218 -12.7101 8.61929 -13.5735 -7.10288 TIMING: 374200 CPU: 1244.16, 0.00315562/step Wall: 1244.16, 0.00315562/step, 4.05479 hours remaining, 230.207031 MB of memory in use. ENERGY: 374200 3967.8216 20598.4457 14500.8568 237.7344 -203658.0328 2695.8646 0.0000 0.0000 51760.8106 -109896.4991 297.4701 -161657.3097 -109537.9476 298.1107 -69.7581 -41.4753 762172.1220 -14.9678 -14.8005 PRESSURE: 374400 139.32 65.5537 -176.836 65.5539 -183.818 21.7505 -176.837 21.7508 -64.0531 GPRESSURE: 374400 139.455 121.737 -110.236 48.5221 -162.806 49.7392 -108.436 -33.7642 -5.30374 PRESSAVG: 374400 31.9585 7.25366 12.8545 7.25374 -13.7056 22.2762 12.8546 22.2762 8.14993 GPRESSAVG: 374400 32.4817 6.48007 12.7969 6.6111 -13.8045 22.1926 11.5995 22.4164 8.01581 TIMING: 374400 CPU: 1244.79, 0.00314595/step Wall: 1244.79, 0.00314595/step, 4.04219 hours remaining, 230.207031 MB of memory in use. ENERGY: 374400 4001.1800 20415.6396 14484.4975 255.0753 -203725.2487 2683.8310 0.0000 0.0000 51767.3832 -110117.6421 297.5079 -161885.0253 -109765.4577 298.4067 -36.1840 -9.5516 761365.8936 8.8009 8.8977 PRESSURE: 374600 147.652 -107.346 155.506 -107.345 -243.096 6.51299 155.506 6.51277 182.035 GPRESSURE: 374600 188.198 -149.483 -6.38893 -92.466 -133.556 30.1135 220.379 7.04025 127.017 PRESSAVG: 374600 43.5107 48.353 54.3607 48.353 -30.1475 -12.3933 54.3606 -12.3933 -7.01662 GPRESSAVG: 374600 43.5786 48.0016 55.7958 47.6352 -30.3328 -13.8903 55.6195 -13.4781 -6.77019 TIMING: 374600 CPU: 1245.42, 0.00316324/step Wall: 1245.42, 0.00316324/step, 4.06424 hours remaining, 230.207031 MB of memory in use. ENERGY: 374600 3947.4143 20524.3939 14412.1324 240.4343 -203596.7811 2515.8288 0.0000 0.0000 52178.5173 -109778.0601 299.8707 -161956.5774 -109427.4032 297.9990 28.8637 60.5529 759021.2176 2.1155 2.1585 PRESSURE: 374800 18.7992 111.665 227.585 111.665 198.167 182.897 227.585 182.897 59.7988 GPRESSURE: 374800 148.361 18.0422 201.405 197.975 194.864 155.928 136.391 174.21 9.13282 PRESSAVG: 374800 58.3414 40.7019 24.5481 40.702 -37.5488 38.3117 24.5482 38.3117 30.4052 GPRESSAVG: 374800 59.1553 40.9181 23.3755 40.4138 -37.8648 39.5911 26.2319 39.4961 29.6028 TIMING: 374800 CPU: 1246.07, 0.00327223/step Wall: 1246.07, 0.00327223/step, 4.20409 hours remaining, 230.207031 MB of memory in use. ENERGY: 374800 3957.9520 20383.5690 14523.1243 251.2536 -203307.6147 2374.6290 0.0000 0.0000 52233.7570 -109583.3297 300.1881 -161817.0867 -109226.9474 299.2643 92.2550 117.4525 758801.2770 17.0659 16.9644 PRESSURE: 375000 99.6937 -41.6463 15.6061 -41.6454 -76.3581 -226.659 15.606 -226.661 -234.47 GPRESSURE: 375000 75.7571 19.6467 23.7644 -108.142 -16.2984 -284.423 -125.502 -177.803 -190.862 PRESSAVG: 375000 7.92467 -14.4488 40.2264 -14.4487 7.47251 -9.53672 40.2264 -9.53673 -16.424 GPRESSAVG: 375000 6.90793 -14.6908 40.7905 -12.5458 7.9647 -11.1984 37.9379 -8.16588 -15.5339 TIMING: 375000 CPU: 1246.7, 0.00315516/step Wall: 1246.7, 0.00315516/step, 4.05351 hours remaining, 230.207031 MB of memory in use. ENERGY: 375000 3908.4557 20562.1601 14447.8572 264.6385 -203526.0202 2700.4717 0.0000 0.0000 51819.9240 -109822.5129 297.8098 -161642.4370 -109458.8256 299.0822 -70.3782 -43.8011 760663.6464 -0.3423 -0.2204 PRESSURE: 375200 0.895775 -136.05 176.991 -136.05 -97.5546 124.828 176.992 124.828 228.148 GPRESSURE: 375200 60.788 -186.417 221.126 -19.4177 -45.011 52.003 154.016 77.1938 202.03 PRESSAVG: 375200 9.98127 0.397148 6.79869 0.397209 14.885 2.39846 6.79868 2.39843 -6.14248 GPRESSAVG: 375200 11.4742 -0.177356 6.7968 -0.218095 12.7371 3.77648 5.82594 0.247136 -5.07015 TIMING: 375200 CPU: 1247.33, 0.00314901/step Wall: 1247.33, 0.00314901/step, 4.04543 hours remaining, 230.207031 MB of memory in use. ENERGY: 375200 3935.4663 20644.1990 14520.8092 260.0134 -203540.4493 2706.6958 0.0000 0.0000 51670.4305 -109802.8349 296.9507 -161473.2655 -109442.0347 298.1557 43.8296 72.6024 759580.8604 6.2413 6.3804 PRESSURE: 375400 -330.317 -168.409 85.1765 -168.409 -253.076 -5.04044 85.1761 -5.04077 -162.447 GPRESSURE: 375400 -374.542 -52.1972 154.035 -66.064 -69.6926 -75.505 92.8117 37.7527 -206.18 PRESSAVG: 375400 13.4888 -53.8052 60.2925 -53.8052 -22.0714 -16.2499 60.2925 -16.2499 10.299 GPRESSAVG: 375400 11.9969 -55.3933 59.6197 -53.2972 -18.627 -15.4008 60.6264 -17.1161 8.74609 TIMING: 375400 CPU: 1247.96, 0.00315732/step Wall: 1247.96, 0.00315732/step, 4.05593 hours remaining, 230.207031 MB of memory in use. ENERGY: 375400 3980.8435 20449.0242 14476.8265 237.7347 -202950.2627 2203.5398 0.0000 0.0000 51785.3584 -109816.9355 297.6112 -161602.2939 -109461.9752 298.3789 -248.6131 -216.8048 761587.6838 0.5721 0.7053 PRESSURE: 375600 -44.8768 260.225 -66.5477 260.225 38.7979 -47.4365 -66.5477 -47.4374 -105.324 GPRESSURE: 375600 -40.7794 122.314 -97.189 173.542 91.4631 -57.145 -19.583 -68.7603 -75.2444 PRESSAVG: 375600 59.8168 -5.15085 77.4534 -5.15086 -16.1092 -4.37267 77.4534 -4.3728 21.9206 GPRESSAVG: 375600 59.5737 -2.72268 77.9619 -7.40885 -16.9449 -5.73881 79.9801 -2.90442 23.1979 TIMING: 375600 CPU: 1248.6, 0.00315924/step Wall: 1248.6, 0.00315924/step, 4.05822 hours remaining, 230.207031 MB of memory in use. ENERGY: 375600 3980.6035 20524.3813 14438.0169 260.7044 -203736.9226 2833.3299 0.0000 0.0000 51825.5777 -109874.3088 297.8423 -161699.8865 -109519.2040 298.0069 -37.1342 -8.1869 759838.2192 21.8760 21.9422 PRESSURE: 375800 -22.5094 112.216 -52.401 112.216 235.291 -275.562 -52.4014 -275.563 159.598 GPRESSURE: 375800 -31.6733 18.5246 -104.219 33.9269 257.771 -257.407 61.1643 -240.416 235.58 PRESSAVG: 375800 35.3849 21.6462 44.9657 21.6462 -8.67353 -29.3753 44.9657 -29.3754 -26.9107 GPRESSAVG: 375800 35.5624 19.6042 46.0934 22.8324 -9.19902 -28.9177 45.3975 -29.0663 -27.1923 TIMING: 375800 CPU: 1249.23, 0.00315829/step Wall: 1249.23, 0.00315829/step, 4.05683 hours remaining, 230.207031 MB of memory in use. ENERGY: 375800 3969.9091 20477.4021 14444.8465 251.7755 -203674.1892 3057.1234 0.0000 0.0000 51738.3493 -109734.7832 297.3410 -161473.1325 -109380.4879 298.7574 124.1264 153.8926 761578.9762 -0.0665 -0.2763 PRESSURE: 376000 126.037 -116.496 103.027 -116.496 -405.277 -245.495 103.027 -245.496 114.668 GPRESSURE: 376000 187.831 -135.26 94.52 -113.544 -287.651 -122.985 89.5996 -271.674 39.1248 PRESSAVG: 376000 -50.4618 6.84845 4.70703 6.84843 41.569 -65.0046 4.70706 -65.0046 19.4904 GPRESSAVG: 376000 -49.7853 8.30866 2.82946 6.81313 42.7149 -65.9267 2.6762 -64.5079 18.0634 TIMING: 376000 CPU: 1249.86, 0.00315038/step Wall: 1249.86, 0.00315038/step, 4.04649 hours remaining, 230.207031 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: 376000 3959.5725 20502.1172 14460.4185 247.2674 -203565.8092 2772.8055 0.0000 0.0000 51709.9711 -109913.6571 297.1779 -161623.6283 -109551.7025 298.2287 -54.8576 -20.2315 761579.0461 3.5325 3.6643 PRESSURE: 376200 -531.47 -26.2593 -45.2086 -26.2592 -182.574 178.633 -45.2081 178.632 -44.8177 GPRESSURE: 376200 -535.89 -71.6525 -57.6168 34.0049 -138.643 90.3255 -168.707 228.048 -11.5658 PRESSAVG: 376200 -4.42174 65.8092 -27.0945 65.8092 -55.8792 3.9192 -27.0944 3.9192 6.20356 GPRESSAVG: 376200 -4.76659 64.6721 -26.5219 66.2296 -57.3525 5.17514 -26.5963 3.12303 7.63159 TIMING: 376200 CPU: 1250.49, 0.00315993/step Wall: 1250.49, 0.00315993/step, 4.05858 hours remaining, 230.207031 MB of memory in use. ENERGY: 376200 3949.0779 20344.0684 14435.4897 250.9102 -202924.5151 2225.3515 0.0000 0.0000 51784.8328 -109934.7844 297.6081 -161719.6173 -109567.6908 297.7810 -252.9540 -228.6994 763512.5760 -18.0324 -18.1625 LDB: ============= START OF LOAD BALANCING ============== 1262.91 LDB: ============== END OF LOAD BALANCING =============== 1262.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1262.92 LDB: ============= START OF LOAD BALANCING ============== 1263.23 LDB: Largest compute 7033 load 0.034960 is 17.9% of average load 0.195137 LDB: Average compute 0.004398 is 2.3% of average load 0.195137 LDB: TIME 1263.23 LOAD: AVG 0.195137 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.789 MB LDB: TIME 1263.23 LOAD: AVG 0.195137 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.867 MB LDB: TIME 1263.23 LOAD: AVG 0.195137 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.867 MB LDB: ============== END OF LOAD BALANCING =============== 1263.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1263.24 PRESSURE: 376400 -335.062 -56.2913 -57.0045 -56.2921 -231.419 43.4139 -57.0044 43.415 235.019 GPRESSURE: 376400 -287.824 -147.587 -55.5386 -43.6813 -194.246 39.0116 44.4562 89.8669 206.604 PRESSAVG: 376400 -19.7762 -5.92226 1.6522 -5.92227 1.35387 -3.1507 1.65224 -3.15067 -15.8249 GPRESSAVG: 376400 -20.4613 -5.40252 1.07445 -5.64952 2.81008 -1.67599 4.47836 -4.27938 -16.1058 TIMING: 376400 CPU: 1251.14, 0.00322524/step Wall: 1251.14, 0.00322524/step, 4.14228 hours remaining, 231.386719 MB of memory in use. ENERGY: 376400 3875.2478 20589.9131 14479.7879 260.2868 -203341.2288 2545.0650 0.0000 0.0000 51905.0470 -109685.8812 298.2990 -161590.9283 -109333.8851 298.1764 -110.4876 -91.8223 762468.7594 -11.4157 -11.2523 PRESSURE: 376600 -357.575 94.7822 -148.231 94.7818 -113.236 -72.0868 -148.231 -72.0868 -10.2952 GPRESSURE: 376600 -237.994 28.7375 -147.932 34.041 -120.971 -95.1932 -91.0686 -2.70051 -24.0835 PRESSAVG: 376600 -23.728 -10.657 77.5597 -10.6569 33.3175 -54.3088 77.5596 -54.3089 -19.3198 GPRESSAVG: 376600 -22.7661 -9.65008 77.5902 -10.2217 33.4315 -56.5768 74.7185 -52.5276 -20.2658 TIMING: 376600 CPU: 1251.76, 0.00314362/step Wall: 1251.76, 0.00314362/step, 4.03729 hours remaining, 231.609375 MB of memory in use. ENERGY: 376600 4046.0875 20614.0238 14470.2210 260.9556 -203287.7655 2348.2611 0.0000 0.0000 52160.4291 -109387.7876 299.7667 -161548.2167 -109034.3684 299.5597 -160.3688 -127.6830 760418.6269 -3.2434 -3.2001 PRESSURE: 376800 -283.517 183.749 -79.9912 183.75 -733.615 -26.9621 -79.9916 -26.9627 -98.3644 GPRESSURE: 376800 -294.549 135.73 -16.2827 50.643 -645.585 -112.743 -69.7554 -37.057 -124.382 PRESSAVG: 376800 -40.8759 -46.3882 -15.8227 -46.3881 20.791 -95.095 -15.8227 -95.095 -0.797324 GPRESSAVG: 376800 -40.5658 -46.9698 -16.1979 -45.8126 19.5788 -95.8749 -16.1467 -94.8102 -0.468081 TIMING: 376800 CPU: 1252.39, 0.00314757/step Wall: 1252.39, 0.00314757/step, 4.04218 hours remaining, 231.652344 MB of memory in use. ENERGY: 376800 4082.1314 20485.5900 14573.3773 245.7257 -202984.4389 2000.0340 0.0000 0.0000 51979.9012 -109617.6793 298.7292 -161597.5805 -109250.2730 299.2625 -371.8323 -354.8387 762015.2280 -6.9607 -7.1517 PRESSURE: 377000 269.943 40.7734 -1.32085 40.7731 -95.6103 -5.96274 -1.32122 -5.96244 164.755 GPRESSURE: 377000 159.495 -64.5651 -36.4687 -17.2696 -25.9854 -61.8852 3.27323 36.6482 288.354 PRESSAVG: 377000 67.0488 -8.869 -33.3672 -8.869 -42.3304 -86.0173 -33.3671 -86.0173 2.33573 GPRESSAVG: 377000 66.1269 -9.7827 -32.5184 -9.52523 -42.3944 -84.5968 -32.9752 -87.4269 3.85554 TIMING: 377000 CPU: 1253.02, 0.00315537/step Wall: 1253.02, 0.00315537/step, 4.05202 hours remaining, 231.652344 MB of memory in use. ENERGY: 377000 3954.3987 20530.7080 14510.2812 254.2180 -203188.5548 2343.7304 0.0000 0.0000 52070.9878 -109524.2306 299.2527 -161595.2184 -109167.8616 299.1246 113.0291 140.6212 758854.0989 9.0181 9.1960 PRESSURE: 377200 537.492 -141.441 -95.0753 -141.441 131.893 255.602 -95.0751 255.602 116.266 GPRESSURE: 377200 552.812 -283.558 -99.4968 -28.1273 243.325 239.066 -61.6838 235.366 71.4348 PRESSAVG: 377200 6.83033 -9.4897 21.8043 -9.48969 35.4183 -33.9328 21.8043 -33.9328 0.497244 GPRESSAVG: 377200 7.30047 -8.02769 21.3228 -10.2713 36.0116 -33.7269 21.1048 -33.5906 -0.980206 TIMING: 377200 CPU: 1253.65, 0.00314734/step Wall: 1253.65, 0.00314734/step, 4.04154 hours remaining, 231.757812 MB of memory in use. ENERGY: 377200 4005.7482 20483.9676 14528.8735 259.0794 -203511.4729 2695.1172 0.0000 0.0000 51916.3337 -109622.3532 298.3639 -161538.6869 -109256.4051 298.8637 261.8835 289.1908 758231.9101 14.2486 14.1106 PRESSURE: 377400 80.3672 -158.468 21.9277 -158.468 160.912 45.9534 21.9283 45.9523 -165.102 GPRESSURE: 377400 212.123 -154.719 -87.16 -193.291 124.58 4.7957 147.925 86.8611 -167.053 PRESSAVG: 377400 50.7669 -48.7235 10.3335 -48.7234 -2.26557 -11.3508 10.3334 -11.3508 -2.69335 GPRESSAVG: 377400 49.9628 -48.9621 10.5077 -50.4749 -1.49111 -11.0082 10.1254 -12.0045 -1.96465 TIMING: 377400 CPU: 1254.29, 0.00317282/step Wall: 1254.29, 0.00317282/step, 4.07407 hours remaining, 231.757812 MB of memory in use. ENERGY: 377400 3942.2450 20538.3651 14369.8226 243.4395 -203260.5183 2580.3150 0.0000 0.0000 51811.7261 -109774.6050 297.7627 -161586.3310 -109401.8817 298.5055 25.3922 56.5501 760234.3391 15.2693 15.5023 PRESSURE: 377600 206.895 9.796 -236.562 9.79624 48.8067 -271.87 -236.562 -271.87 -37.0256 GPRESSURE: 377600 290.444 -39.1863 -197.717 109.579 41.408 -160.491 -202.511 -304.97 -37.8766 PRESSAVG: 377600 38.7924 -36.6947 15.8562 -36.6947 13.2644 13.2401 15.8563 13.2401 -13.1959 GPRESSAVG: 377600 39.7419 -38.2628 14.8384 -32.6876 12.6193 12.4876 16.2637 14.0088 -12.9776 TIMING: 377600 CPU: 1254.92, 0.00315297/step Wall: 1254.92, 0.00315297/step, 4.04842 hours remaining, 231.757812 MB of memory in use. ENERGY: 377600 3959.2380 20436.1588 14527.2115 232.1620 -203214.3507 2461.4290 0.0000 0.0000 52179.6447 -109418.5066 299.8771 -161598.1513 -109056.6201 298.7500 72.8920 97.9918 759386.3706 12.9536 13.1279 PRESSURE: 377800 -71.6785 -162.384 158.63 -162.384 -170.68 -14.4888 158.63 -14.4886 -93.3606 GPRESSURE: 377800 -56.4668 -212.635 192.289 -120.959 -118.959 -49.912 240.805 -67.4885 -68.5884 PRESSAVG: 377800 -20.428 -50.4253 45.5733 -50.4253 25.4651 -23.264 45.5733 -23.2641 21.563 GPRESSAVG: 377800 -20.581 -49.5954 46.3212 -53.7341 26.2002 -23.6006 46.6265 -24.3292 21.1883 TIMING: 377800 CPU: 1255.55, 0.00315277/step Wall: 1255.55, 0.00315277/step, 4.04798 hours remaining, 231.757812 MB of memory in use. ENERGY: 377800 3976.7808 20588.5062 14536.4221 224.2646 -203126.7076 2391.0660 0.0000 0.0000 52029.3323 -109380.3358 299.0133 -161409.6680 -109018.7146 299.2031 -111.9063 -81.3380 760138.0693 8.8667 8.9359 PRESSURE: 378000 165.478 -56.7019 553.713 -56.7015 125.74 -10.0584 553.712 -10.0588 -274.204 GPRESSURE: 378000 187.732 -105.855 418.328 -48.1092 175.193 109.612 441.107 -8.84907 -254.691 PRESSAVG: 378000 0.329973 -34.9561 56.6715 -34.9561 -25.1511 -9.41519 56.6716 -9.41516 12.4335 GPRESSAVG: 378000 0.458832 -34.132 56.2433 -33.5034 -25.493 -8.34431 56.9377 -9.17665 12.659 TIMING: 378000 CPU: 1256.18, 0.00313752/step Wall: 1256.18, 0.00313752/step, 4.02823 hours remaining, 231.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 378000 4000.8804 20447.9694 14421.3275 257.1099 -202815.4549 2416.4764 0.0000 0.0000 51836.3361 -109435.3552 297.9041 -161271.6913 -109068.5703 299.2267 5.6718 36.0783 760667.8295 -4.1292 -4.1250 PRESSURE: 378200 -126.154 60.0627 32.5764 60.0621 -137.738 -62.5965 32.5765 -62.5965 -334.315 GPRESSURE: 378200 -1.50957 45.7726 10.6967 52.7191 -190.196 -102.024 -5.55616 49.6877 -322.744 PRESSAVG: 378200 42.0381 -22.3618 12.9375 -22.3618 -30.258 -35.8722 12.9376 -35.8722 2.42314 GPRESSAVG: 378200 41.4215 -22.9004 14.5578 -22.4699 -30.3915 -37.9617 11.0585 -33.7793 2.99183 TIMING: 378200 CPU: 1256.8, 0.00313409/step Wall: 1256.8, 0.00313409/step, 4.02365 hours remaining, 231.757812 MB of memory in use. ENERGY: 378200 4028.2891 20528.0427 14426.4222 256.1392 -203059.0057 2520.5823 0.0000 0.0000 51807.9638 -109491.5664 297.7411 -161299.5302 -109135.4978 299.0239 -199.4025 -171.4834 761187.5213 4.7344 4.6740 PRESSURE: 378400 -47.8255 -34.9672 217.248 -34.967 -193.692 143.836 217.249 143.837 556.054 GPRESSURE: 378400 23.4318 17.196 233.81 98.7375 -170.89 113.865 161.859 230.784 543.831 PRESSAVG: 378400 44.5019 -7.0005 31.6558 -7.00047 -44.2334 9.70875 31.6558 9.70873 -4.98445 GPRESSAVG: 378400 45.6304 -6.73095 31.4772 -6.55115 -44.4812 10.0477 30.0072 7.97591 -5.66636 TIMING: 378400 CPU: 1257.43, 0.00314504/step Wall: 1257.43, 0.00314504/step, 4.03753 hours remaining, 231.757812 MB of memory in use. ENERGY: 378400 3886.8920 20679.4507 14467.8003 256.4813 -203040.0845 2556.7708 0.0000 0.0000 51759.7137 -109432.9757 297.4638 -161192.6894 -109075.7245 298.5937 104.8453 132.1241 762986.8745 -1.5720 -1.5057 PRESSURE: 378600 -240.589 -30.2747 337.079 -30.2742 -327.143 -43.5812 337.08 -43.5807 86.099 GPRESSURE: 378600 -239.452 9.57111 423.259 -46.1637 -251.904 -145.789 320.194 65.4264 103.19 PRESSAVG: 378600 8.10755 -5.1559 18.4942 -5.1559 23.0289 24.1232 18.4942 24.1232 22.1382 GPRESSAVG: 378600 7.70675 -3.32606 19.5029 -4.44499 23.0343 23.8718 20.4143 23.6361 22.1472 TIMING: 378600 CPU: 1258.07, 0.00316689/step Wall: 1258.07, 0.00316689/step, 4.06541 hours remaining, 231.757812 MB of memory in use. ENERGY: 378600 4030.4925 20430.1291 14483.3952 254.5240 -203209.7243 2469.5788 0.0000 0.0000 52238.1646 -109303.4401 300.2135 -161541.6047 -108937.9688 299.1431 -160.5443 -129.3887 762178.9714 17.7582 17.6294 PRESSURE: 378800 39.3316 8.853 -95.5783 8.85301 -270.816 -385.879 -95.5781 -385.879 253.753 GPRESSURE: 378800 15.5109 97.3846 -125.219 -56.2335 -161.179 -309.898 -130.39 -336.316 243.744 PRESSAVG: 378800 -17.46 12.6599 16.6903 12.6599 -14.6849 24.2092 16.6903 24.2093 1.00888 GPRESSAVG: 378800 -17.1366 12.4442 16.0521 12.5464 -13.585 23.1456 17.1402 24.2028 0.453234 TIMING: 378800 CPU: 1258.7, 0.00314596/step Wall: 1258.7, 0.00314596/step, 4.03836 hours remaining, 231.757812 MB of memory in use. ENERGY: 378800 3961.9258 20411.0950 14452.3735 236.8697 -203439.6180 2665.4971 0.0000 0.0000 52142.7821 -109569.0749 299.6653 -161711.8570 -109194.6433 299.3600 7.4228 32.6921 762142.7010 -10.3787 -10.0894 PRESSURE: 379000 77.4188 -0.873134 366.314 -0.873246 -244.894 109.744 366.313 109.745 -120.997 GPRESSURE: 379000 57.0247 -67.6247 273.874 117.567 -134.83 140.494 343.34 89.8084 -116.162 PRESSAVG: 379000 30.2184 -11.4197 -6.76106 -11.4197 -5.1805 -4.87629 -6.76107 -4.87629 -1.83382 GPRESSAVG: 379000 30.7184 -13.1246 -7.9188 -12.6572 -6.15672 -3.55612 -6.2493 -5.34167 -1.3873 TIMING: 379000 CPU: 1259.32, 0.00313154/step Wall: 1259.32, 0.00313154/step, 4.01967 hours remaining, 231.757812 MB of memory in use. ENERGY: 379000 3947.5280 20524.9009 14517.6358 250.3894 -203527.4659 2861.9922 0.0000 0.0000 51907.3203 -109517.6994 298.3121 -161425.0197 -109161.7081 299.2746 -96.1575 -64.6559 762328.2203 7.7347 7.7248 PRESSURE: 379200 -310.596 68.5826 95.2751 68.5827 12.9858 -10.2288 95.2762 -10.2312 177.071 GPRESSURE: 379200 -250.445 11.2715 149.269 99.2277 35.725 -11.1594 70.0186 -62.4086 182.678 PRESSAVG: 379200 -18.8277 -35.9207 20.5696 -35.9207 -25.4464 23.015 20.5696 23.015 -2.84558 GPRESSAVG: 379200 -19.265 -35.032 22.5587 -37.8754 -24.7829 23.2852 19.7972 21.884 -2.44408 TIMING: 379200 CPU: 1259.95, 0.00314273/step Wall: 1259.95, 0.00314273/step, 4.03387 hours remaining, 231.757812 MB of memory in use. ENERGY: 379200 4006.8740 20549.5795 14369.2885 248.4361 -203590.0880 2706.9685 0.0000 0.0000 52167.9930 -109540.9485 299.8102 -161708.9415 -109187.6897 299.3930 -40.1798 -10.6806 760292.0424 -15.7066 -15.4973 PRESSURE: 379400 166.976 -170.252 148.927 -170.252 -218.498 -32.731 148.926 -32.7309 -429.214 GPRESSURE: 379400 153.127 -110.637 208.553 -228.138 -162.238 -99.6649 152.244 13.9858 -400.527 PRESSAVG: 379400 9.29773 -25.2821 21.7367 -25.2821 -50.2487 10.1824 21.7367 10.1823 -14.9305 GPRESSAVG: 379400 10.6934 -24.5335 20.6285 -24.6309 -51.122 10.2277 20.1666 12.0071 -15.829 TIMING: 379400 CPU: 1260.58, 0.00313871/step Wall: 1260.58, 0.00313871/step, 4.02853 hours remaining, 231.757812 MB of memory in use. ENERGY: 379400 4062.6682 20529.5904 14479.9099 254.3902 -203322.5679 2451.5272 0.0000 0.0000 51922.5211 -109621.9609 298.3994 -161544.4820 -109251.9996 299.9494 -160.2450 -136.5460 761086.9476 -18.6272 -18.7525 PRESSURE: 379600 -12.3701 -127.654 18.3096 -127.653 37.5881 8.6993 18.3089 8.69994 64.2852 GPRESSURE: 379600 17.4358 -132.99 63.5146 -58.1374 56.2265 71.3059 83.486 -16.2667 90.3436 PRESSAVG: 379600 28.5387 -31.0506 14.4079 -31.0507 21.9939 42.0831 14.4079 42.0831 -4.51623 GPRESSAVG: 379600 27.1634 -33.4774 14.6832 -29.3359 23.0606 41.3697 16.1143 40.3292 -3.68617 TIMING: 379600 CPU: 1261.2, 0.00313209/step Wall: 1261.2, 0.00313209/step, 4.01987 hours remaining, 231.757812 MB of memory in use. ENERGY: 379600 4042.9701 20593.7721 14519.1631 254.0853 -203782.1202 2586.2525 0.0000 0.0000 52361.0609 -109424.8163 300.9197 -161785.8772 -109061.6089 299.8966 29.8344 54.6686 758740.5644 15.3388 15.5126 PRESSURE: 379800 -208.054 -130.956 295.498 -130.956 8.39076 22.3096 295.496 22.3093 92.0976 GPRESSURE: 379800 -50.2217 89.3847 263.267 -102.281 -20.1353 22.6379 323.565 0.540357 44.1415 PRESSAVG: 379800 -27.4138 -48.1254 14.9241 -48.1253 -8.72776 36.385 14.9241 36.385 -15.035 GPRESSAVG: 379800 -26.6702 -45.5284 14.6469 -47.7041 -10.016 36.2859 14.9601 37.4272 -15.1745 TIMING: 379800 CPU: 1261.83, 0.00314964/step Wall: 1261.83, 0.00314964/step, 4.04221 hours remaining, 231.757812 MB of memory in use. ENERGY: 379800 3969.0797 20488.1691 14487.4888 245.5358 -203260.3248 2518.2524 0.0000 0.0000 51939.0395 -109612.7595 298.4944 -161551.7990 -109241.1922 299.3003 -35.8552 -8.7385 759736.7751 -17.0588 -17.2869 PRESSURE: 380000 -36.9087 -132.659 -43.8463 -132.659 -32.0016 186.408 -43.846 186.407 147.387 GPRESSURE: 380000 -26.9221 -88.8205 -56.6231 2.84709 3.07504 174.658 -106.818 200.418 192.117 PRESSAVG: 380000 -42.5943 -31.1338 37.5661 -31.1338 7.50837 -21.8247 37.5662 -21.8248 1.8 GPRESSAVG: 380000 -43.1638 -31.2255 36.2632 -29.9185 7.85501 -20.4422 37.7766 -23.0787 1.27662 TIMING: 380000 CPU: 1262.47, 0.00315564/step Wall: 1262.47, 0.00315564/step, 4.04973 hours remaining, 231.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 380000 3968.3455 20473.5652 14522.5602 248.3576 -203414.9339 2296.3331 0.0000 0.0000 52240.2860 -109665.4862 300.2256 -161905.7722 -109297.1740 299.2974 26.1588 56.0899 758987.7161 -11.0953 -11.3441 PRESSURE: 380200 -312.542 -97.1243 -196.635 -97.1238 -251.671 -9.5745 -196.635 -9.57435 -156.944 GPRESSURE: 380200 -198.652 53.5846 -254.904 -228.676 -315.402 -3.97819 -137.217 -0.976978 -116.375 PRESSAVG: 380200 9.26297 -23.4915 15.9985 -23.4915 -57.7345 12.4154 15.9985 12.4154 15.2496 GPRESSAVG: 380200 9.05854 -26.2142 16.293 -23.816 -57.1168 10.5075 14.8854 14.8773 15.0609 TIMING: 380200 CPU: 1263.1, 0.00314922/step Wall: 1263.1, 0.00314922/step, 4.04133 hours remaining, 231.757812 MB of memory in use. ENERGY: 380200 3951.6706 20646.8375 14424.1730 259.1310 -203587.6118 2536.8954 0.0000 0.0000 51930.0048 -109838.8996 298.4425 -161768.9044 -109476.2825 298.9414 -240.3856 -210.1433 761887.5663 -11.0740 -10.9991 LDB: ============= START OF LOAD BALANCING ============== 1275.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1275.52 LDB: =============== DONE WITH MIGRATION ================ 1275.52 LDB: ============= START OF LOAD BALANCING ============== 1275.84 LDB: Largest compute 7033 load 0.035055 is 18.0% of average load 0.195078 LDB: Average compute 0.004411 is 2.3% of average load 0.195078 LDB: TIME 1275.84 LOAD: AVG 0.195078 MAX 0.216828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.375 MB LDB: TIME 1275.84 LOAD: AVG 0.195078 MAX 0.216828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: TIME 1275.84 LOAD: AVG 0.195078 MAX 0.216828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: ============== END OF LOAD BALANCING =============== 1275.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1275.85 PRESSURE: 380400 -275.744 -126.946 108.774 -126.946 -454.872 -52.6974 108.775 -52.6959 -486.102 GPRESSURE: 380400 -211.511 -72.753 88.8159 -1.90126 -464.396 11.6457 50.1864 56.7938 -485.897 PRESSAVG: 380400 7.5142 -9.23659 75.8166 -9.23662 4.29557 47.0718 75.8166 47.0718 -10.288 GPRESSAVG: 380400 8.22564 -6.28093 76.6241 -10.2652 3.26293 47.1209 74.8962 45.7137 -10.1978 TIMING: 380400 CPU: 1263.74, 0.00323774/step Wall: 1263.74, 0.00323774/step, 4.15474 hours remaining, 229.808594 MB of memory in use. ENERGY: 380400 4014.6223 20615.8470 14525.4934 244.0151 -203207.5607 2162.2574 0.0000 0.0000 51808.0652 -109837.2603 297.7417 -161645.3254 -109478.4883 298.0899 -405.5725 -387.2683 761563.0281 0.5073 0.4303 PRESSURE: 380600 -446.347 11.0175 -13.682 11.0167 -138.803 -79.2285 -13.6813 -79.2303 343.001 GPRESSURE: 380600 -280.511 -21.1122 58.7322 -120.607 -193.808 -90.4948 50.3769 -68.3887 317.93 PRESSAVG: 380600 32.906 -19.8382 9.73071 -19.8382 -26.9273 2.63568 9.73072 2.63581 -6.27643 GPRESSAVG: 380600 33.263 -19.3728 8.0943 -22.4896 -27.5294 3.75441 10.7802 2.87483 -5.80321 TIMING: 380600 CPU: 1264.37, 0.00314773/step Wall: 1264.37, 0.00314773/step, 4.03906 hours remaining, 230.066406 MB of memory in use. ENERGY: 380600 4035.4598 20508.3927 14447.9410 252.1915 -203678.9131 2598.7679 0.0000 0.0000 51928.2602 -109907.9001 298.4324 -161836.1602 -109545.3245 298.5187 -80.7165 -52.1300 760692.8236 -0.0992 -0.0232 PRESSURE: 380800 12.1763 69.773 71.4185 69.7736 -152.496 79.9037 71.418 79.9035 207.273 GPRESSURE: 380800 27.5965 55.7631 80.6457 85.7736 -44.9747 167.628 -53.8028 43.5214 168.424 PRESSAVG: 380800 26.8983 -22.508 47.4236 -22.508 -6.32239 15.3859 47.4236 15.3859 29.3378 GPRESSAVG: 380800 24.9318 -24.8002 47.8567 -19.8498 -4.19473 12.7907 47.3169 14.1043 28.8692 TIMING: 380800 CPU: 1265, 0.00315339/step Wall: 1265, 0.00315339/step, 4.04615 hours remaining, 230.066406 MB of memory in use. ENERGY: 380800 3939.1830 20447.7124 14525.1091 240.5847 -203806.5185 2562.4088 0.0000 0.0000 52095.3224 -109996.1981 299.3925 -162091.5205 -109632.5942 298.4148 22.3178 50.3485 760222.3353 16.6379 16.5354 PRESSURE: 381000 -209.82 -146.435 172.336 -146.433 49.1097 203.72 172.336 203.721 267.798 GPRESSURE: 381000 -104.949 -110.24 242.3 -69.1558 41.6141 146.2 -13.2882 223.012 255.517 PRESSAVG: 381000 13.3659 -66.037 37.5374 -66.037 0.251902 -0.0756243 37.5373 -0.0756315 3.93768 GPRESSAVG: 381000 14.5794 -66.5061 37.8883 -67.3056 0.23966 0.266332 35.839 1.17058 3.42614 TIMING: 381000 CPU: 1265.64, 0.00316705/step Wall: 1265.64, 0.00316705/step, 4.0635 hours remaining, 230.066406 MB of memory in use. ENERGY: 381000 4021.0476 20581.5971 14420.0580 242.5333 -203278.5119 2274.0847 0.0000 0.0000 52111.1823 -109628.0088 299.4837 -161739.1911 -109269.6540 298.3552 35.6959 64.0609 760187.5741 5.8518 6.0817 PRESSURE: 381200 -72.0243 -234.498 339.369 -234.498 48.2821 37.1418 339.368 37.1415 111.002 GPRESSURE: 381200 13.5221 -192.005 364.903 -197.892 124.816 10.0806 255.148 -37.1182 43.227 PRESSAVG: 381200 -16.8365 -63.275 46.1671 -63.275 24.2027 33.9472 46.1672 33.9473 6.29059 GPRESSAVG: 381200 -17.1592 -63.1422 45.9379 -61.3659 23.4034 35.7779 48.5128 35.6002 6.70633 TIMING: 381200 CPU: 1266.26, 0.0031289/step Wall: 1266.26, 0.0031289/step, 4.01437 hours remaining, 230.066406 MB of memory in use. ENERGY: 381200 3972.7804 20582.7506 14455.7679 228.7486 -203420.5551 2600.0581 0.0000 0.0000 51938.5434 -109641.9060 298.4915 -161580.4495 -109278.4205 298.9100 29.0866 60.5216 760396.3005 4.5523 4.3168 PRESSURE: 381400 -273.72 -0.51081 -39.6692 -0.511113 -72.7518 144.989 -39.6697 144.99 -457.507 GPRESSURE: 381400 -264.084 -65.8906 20.9624 -22.4683 -29.43 174.273 -38.8277 189.027 -415.586 PRESSAVG: 381400 8.57826 -112.145 40.7261 -112.145 -11.1682 47.9376 40.7261 47.9377 -3.59815 GPRESSAVG: 381400 7.80946 -110.29 39.4433 -114.142 -11.728 46.7837 39.3163 45.706 -2.53661 TIMING: 381400 CPU: 1266.89, 0.00315014/step Wall: 1266.89, 0.00315013/step, 4.04145 hours remaining, 230.234375 MB of memory in use. ENERGY: 381400 4034.2176 20477.0716 14429.5271 229.2831 -203397.3869 2454.4294 0.0000 0.0000 52048.6105 -109724.2476 299.1241 -161772.8581 -109362.6654 298.9778 -267.9928 -236.3666 760878.9347 -2.0627 -2.1517 PRESSURE: 381600 -107.721 -158.213 -114.452 -158.214 107.707 -63.3257 -114.452 -63.3247 -156.943 GPRESSURE: 381600 -33.2 -267.863 -85.7407 -169.163 69.1724 -32.2548 21.5542 19.4807 -119.666 PRESSAVG: 381600 -18.3479 -44.9524 -2.36767 -44.9524 5.15121 65.28 -2.36767 65.2801 -14.3322 GPRESSAVG: 381600 -20.5558 -47.0688 -0.95678 -44.3024 6.71351 66.7569 -0.968304 64.4401 -13.6968 TIMING: 381600 CPU: 1267.52, 0.00315657/step Wall: 1267.52, 0.00315657/step, 4.04953 hours remaining, 230.234375 MB of memory in use. ENERGY: 381600 4041.0574 20375.2739 14485.5476 245.4061 -203625.4640 2689.5038 0.0000 0.0000 52101.6231 -109687.0521 299.4287 -161788.6752 -109324.5953 298.5635 -52.3189 -27.8978 760808.9917 -9.1763 -9.1797 PRESSURE: 381800 -299.664 -99.7706 -212.234 -99.77 -329.189 -86.1523 -212.234 -86.1511 -165.707 GPRESSURE: 381800 -261.322 -18.5163 -186.849 -180.063 -350.331 -221.082 -147.099 -8.51494 -122.475 PRESSAVG: 381800 1.11694 -34.1887 19.8896 -34.1887 19.6895 40.5516 19.8896 40.5515 -21.1061 GPRESSAVG: 381800 3.26181 -32.7064 20.6869 -34.5466 19.1895 38.6199 19.4873 41.5098 -22.628 TIMING: 381800 CPU: 1268.15, 0.0031516/step Wall: 1268.15, 0.0031516/step, 4.04298 hours remaining, 230.234375 MB of memory in use. ENERGY: 381800 4026.6568 20398.8463 14491.4496 249.5143 -203049.1385 2114.7102 0.0000 0.0000 51831.7681 -109936.1933 297.8779 -161767.9614 -109577.7394 297.9242 -264.8533 -244.7093 761346.0401 -0.0999 -0.0589 PRESSURE: 382000 213.867 139.84 -67.0426 139.84 86.0626 9.5827 -67.0434 9.58395 2.51743 GPRESSURE: 382000 271.387 47.6081 -131.085 178.044 154.646 44.875 -82.7264 -0.441595 -33.8217 PRESSAVG: 382000 -0.91122 -2.88234 -32.3833 -2.88235 11.9815 31.4615 -32.3834 31.4615 0.326497 GPRESSAVG: 382000 -0.436249 -0.702519 -33.6205 -2.59241 10.6881 31.8844 -32.7509 31.3967 0.682888 TIMING: 382000 CPU: 1268.78, 0.00313592/step Wall: 1268.78, 0.00313592/step, 4.02269 hours remaining, 230.234375 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: 382000 3914.8239 20398.7847 14507.2574 241.2509 -203825.0359 2762.8087 0.0000 0.0000 52011.5004 -109988.6099 298.9108 -162000.1103 -109620.5417 298.1002 100.8158 130.7371 759740.0456 3.7989 3.6449 PRESSURE: 382200 230.777 142.25 28.834 142.249 186.334 113.944 28.8333 113.943 301.056 GPRESSURE: 382200 260.728 252.894 40.6193 77.8321 261.455 -26.6421 160.984 56.7327 293.657 PRESSAVG: 382200 -26.6719 -26.9293 -37.2794 -26.9292 17.6084 22.3018 -37.2794 22.3018 15.663 GPRESSAVG: 382200 -26.5837 -26.8205 -38.5648 -26.9335 18.2003 22.2811 -36.0538 24.5342 15.2033 TIMING: 382200 CPU: 1269.41, 0.00315358/step Wall: 1269.41, 0.00315358/step, 4.04517 hours remaining, 230.234375 MB of memory in use. ENERGY: 382200 4026.7293 20422.5407 14497.9531 237.6285 -203640.5329 2714.2964 0.0000 0.0000 51757.7201 -109983.6648 297.4523 -161741.3849 -109619.4220 298.2907 239.3892 271.9465 759154.6712 2.1998 2.2733 PRESSURE: 382400 -274.078 -167.01 85.359 -167.009 -288.198 85.7975 85.3606 85.7981 -262.816 GPRESSURE: 382400 -162.289 -142.3 -9.78799 -48.8516 -230.871 108.365 110.011 79.674 -341.404 PRESSAVG: 382400 19.46 -35.921 51.6866 -35.921 17.511 0.0433193 51.6866 0.0433134 30.7744 GPRESSAVG: 382400 18.898 -39.3109 53.6771 -36.2337 18.0081 -0.184202 51.4211 -3.19382 30.0856 TIMING: 382400 CPU: 1270.04, 0.00315218/step Wall: 1270.04, 0.00315218/step, 4.0432 hours remaining, 230.246094 MB of memory in use. ENERGY: 382400 4048.1652 20372.3652 14484.5765 240.5525 -203221.0843 2069.9520 0.0000 0.0000 52033.3414 -109972.1315 299.0363 -162005.4729 -109603.8491 298.3814 -275.0306 -244.8545 759327.8847 22.5818 22.3305 PRESSURE: 382600 -31.4355 -16.9375 -26.087 -16.9366 208.068 147.59 -26.0877 147.59 -19.0656 GPRESSURE: 382600 -66.0518 -62.2703 -27.8514 -42.3636 302.676 157.393 -77.3217 144.195 16.9219 PRESSAVG: 382600 19.1699 -42.6514 13.6077 -42.6514 11.0009 -5.85277 13.6077 -5.85278 33.5469 GPRESSAVG: 382600 19.6343 -39.6098 13.7483 -43.0785 10.2932 -4.21641 13.6477 -3.79519 33.9506 TIMING: 382600 CPU: 1270.67, 0.00315538/step Wall: 1270.67, 0.00315538/step, 4.04712 hours remaining, 230.246094 MB of memory in use. ENERGY: 382600 3941.5344 20535.9403 14530.9211 258.6694 -203478.2361 2288.0427 0.0000 0.0000 52052.2490 -109870.8792 299.1450 -161923.1282 -109521.4978 298.5517 52.5223 84.5153 756201.0124 21.2392 21.2927 PRESSURE: 382800 -148.866 246.547 166.238 246.546 -383.425 -36.325 166.238 -36.3249 -116.708 GPRESSURE: 382800 -150.427 267.281 202.372 235.044 -234.441 -117.994 201.148 -19.6438 -188.856 PRESSAVG: 382800 -13.8869 2.83481 1.25423 2.83482 -9.24939 -4.73339 1.25416 -4.7334 -20.8597 GPRESSAVG: 382800 -15.6279 0.502713 0.813502 5.14306 -7.72827 -6.68214 -0.573856 -5.76062 -21.3194 TIMING: 382800 CPU: 1271.31, 0.00316549/step Wall: 1271.31, 0.00316549/step, 4.05991 hours remaining, 230.246094 MB of memory in use. ENERGY: 382800 4034.0688 20550.8465 14564.0492 237.5879 -203510.7495 2340.6944 0.0000 0.0000 52022.9463 -109760.5562 298.9766 -161783.5025 -109399.1949 298.8427 -216.3329 -191.2411 759172.7308 -14.6653 -14.8919 PRESSURE: 383000 -268.726 21.4592 -12.5467 21.4591 -335.466 -90.3716 -12.5476 -90.3708 -448.38 GPRESSURE: 383000 -250.083 66.5668 -102.267 68.5059 -298.852 -65.3404 -51.3873 -48.4344 -421.556 PRESSAVG: 383000 4.96387 14.612 -12.4656 14.612 -30.5436 -11.439 -12.4656 -11.439 0.283879 GPRESSAVG: 383000 6.33715 16.982 -12.4444 12.0415 -32.1825 -9.5408 -11.3002 -10.912 0.939224 TIMING: 383000 CPU: 1271.94, 0.00314539/step Wall: 1271.94, 0.00314539/step, 4.03396 hours remaining, 230.246094 MB of memory in use. ENERGY: 383000 4001.6122 20440.4422 14522.2051 259.0131 -203000.4419 1979.1792 0.0000 0.0000 51735.8790 -110062.1111 297.3268 -161797.9901 -109699.2111 298.3384 -350.8573 -323.4972 759738.8284 -8.4320 -8.3020 PRESSURE: 383200 -175.663 -30.5414 -160.69 -30.5405 -150.357 -182.689 -160.691 -182.689 159.85 GPRESSURE: 383200 -159.774 -34.7097 -355.401 -8.97616 -37.9711 -140.201 -124.308 -148.67 115.693 PRESSAVG: 383200 -13.22 -10.6351 -12.6487 -10.6351 -8.8226 -1.78679 -12.6487 -1.78679 -18.9691 GPRESSAVG: 383200 -13.7535 -11.973 -13.9399 -9.0649 -8.7955 -3.14434 -13.9014 -1.92732 -18.315 TIMING: 383200 CPU: 1272.56, 0.00314126/step Wall: 1272.56, 0.00314126/step, 4.02849 hours remaining, 230.246094 MB of memory in use. ENERGY: 383200 4016.0527 20513.3792 14391.1308 234.4908 -203553.8199 2505.7629 0.0000 0.0000 51979.1427 -109913.8608 298.7248 -161893.0035 -109549.6229 298.1933 -55.3902 -27.3508 759029.2318 -13.6706 -13.6213 PRESSURE: 383400 -227.257 218.498 4.06698 218.498 -104.588 -4.27167 4.06707 -4.2726 -80.1033 GPRESSURE: 383400 -209.956 208.341 91.7078 201.507 -37.8011 19.2632 59.08 -57.0279 -96.9905 PRESSAVG: 383400 1.50697 -28.9683 -24.7651 -28.9682 46.0998 -38.3449 -24.7651 -38.345 50.4547 GPRESSAVG: 383400 1.72659 -26.186 -23.7737 -31.2831 46.3288 -36.7429 -22.8098 -39.8567 49.8285 TIMING: 383400 CPU: 1273.2, 0.00316819/step Wall: 1273.2, 0.00316819/step, 4.06285 hours remaining, 230.246094 MB of memory in use. ENERGY: 383400 4056.5153 20638.7466 14504.9109 246.8925 -203449.1673 2322.2012 0.0000 0.0000 52031.0385 -109648.8623 299.0231 -161679.9008 -109290.6325 298.3943 -137.3162 -114.9158 760088.0467 32.6872 32.6280 PRESSURE: 383600 104.245 106.43 186.511 106.43 -25.1688 106.564 186.512 106.563 87.7015 GPRESSURE: 383600 131.382 26.5282 144.664 46.7205 5.80734 64.1122 146.901 133.673 141.327 PRESSAVG: 383600 -31.1183 -25.4156 -0.833364 -25.4155 31.3507 -39.8031 -0.833381 -39.8031 5.93099 GPRESSAVG: 383600 -30.0644 -29.3321 -0.0699102 -24.0851 30.7954 -41.2239 -1.14442 -36.7201 5.92513 TIMING: 383600 CPU: 1273.83, 0.00315122/step Wall: 1273.83, 0.00315122/step, 4.04091 hours remaining, 230.246094 MB of memory in use. ENERGY: 383600 3957.4179 20526.3980 14505.3356 237.1845 -203785.7614 2698.5297 0.0000 0.0000 52249.6291 -109611.2666 300.2793 -161860.8957 -109250.3622 299.1106 55.5926 92.8386 759474.4682 2.0545 2.2187 PRESSURE: 383800 54.6756 -35.3744 -106.75 -35.3735 208.725 26.0715 -106.751 26.0717 18.0798 GPRESSURE: 383800 15.8349 -11.3696 -118.775 4.4752 312.738 39.8734 9.91145 21.2507 43.4192 PRESSAVG: 383800 -14.5316 -8.1977 12.9235 -8.19763 47.0443 -33.5457 12.9236 -33.5457 -10.7383 GPRESSAVG: 383800 -15.034 -7.13449 12.1706 -7.29138 47.1767 -31.4958 12.0609 -36.0638 -10.4042 TIMING: 383800 CPU: 1274.46, 0.0031459/step Wall: 1274.46, 0.0031459/step, 4.03391 hours remaining, 230.246094 MB of memory in use. ENERGY: 383800 3993.6848 20567.2216 14529.2695 239.9356 -203861.8854 2821.3530 0.0000 0.0000 52189.8383 -109520.5825 299.9357 -161710.4209 -109162.1083 299.4601 93.8268 123.9975 759282.5602 7.2581 7.2462 PRESSURE: 384000 -26.6176 38.3582 -39.9637 38.3588 -149.687 153.944 -39.9645 153.942 -109.607 GPRESSURE: 384000 -40.0656 129.875 -91.2955 -26.0611 -102.054 34.4788 -57.8347 137.291 -67.3014 PRESSAVG: 384000 -21.2653 -46.9473 -68.2241 -46.9473 44.5701 21.8941 -68.2241 21.894 -21.2624 GPRESSAVG: 384000 -22.421 -46.1253 -68.0875 -45.4509 45.7494 19.2866 -68.5614 22.7366 -21.1504 TIMING: 384000 CPU: 1275.09, 0.00314319/step Wall: 1275.09, 0.00314319/step, 4.03027 hours remaining, 230.246094 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: 384000 3975.9541 20512.7127 14485.3164 249.1696 -203584.3311 2699.7670 0.0000 0.0000 52191.8314 -109469.5798 299.9472 -161661.4112 -109106.3395 299.2447 -95.3038 -69.8071 760940.2280 0.6808 0.7260 PRESSURE: 384200 -203.126 101.457 -257.055 101.457 -87.7254 135.85 -257.056 135.85 -102.362 GPRESSURE: 384200 -56.0899 117.035 -152.799 32.8691 -104.509 182.004 -342.624 -16.0269 -153.747 PRESSAVG: 384200 -46.8355 8.12018 -9.26634 8.12027 39.3256 -1.26982 -9.26633 -1.26978 -6.6672 GPRESSAVG: 384200 -44.8598 8.64356 -7.98585 6.52119 38.3271 0.18683 -10.2001 -1.47802 -7.18289 TIMING: 384200 CPU: 1275.72, 0.00316221/step Wall: 1275.72, 0.00316221/step, 4.05448 hours remaining, 230.246094 MB of memory in use. ENERGY: 384200 3991.9124 20551.4208 14525.3295 260.8574 -203070.6977 2425.3801 0.0000 0.0000 51867.9468 -109447.8507 298.0858 -161315.7975 -109091.3183 299.4916 -131.0712 -104.7820 759758.8486 -4.7257 -4.5719 LDB: ============= START OF LOAD BALANCING ============== 1288.14 LDB: ============== END OF LOAD BALANCING =============== 1288.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1288.14 LDB: ============= START OF LOAD BALANCING ============== 1288.46 LDB: Largest compute 7049 load 0.035178 is 18.0% of average load 0.195043 LDB: Average compute 0.004405 is 2.3% of average load 0.195043 LDB: TIME 1288.46 LOAD: AVG 0.195043 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.227 MB LDB: TIME 1288.46 LOAD: AVG 0.195043 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.242 MB LDB: TIME 1288.46 LOAD: AVG 0.195043 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.242 MB LDB: ============== END OF LOAD BALANCING =============== 1288.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1288.47 PRESSURE: 384400 -28.8942 -41.0919 -108.022 -41.0909 256.675 69.2721 -108.022 69.2734 -205.565 GPRESSURE: 384400 71.768 -41.7509 -187.478 34.0173 234.617 -21.9803 6.94518 22.0971 -221.082 PRESSAVG: 384400 12.4721 -40.2328 -19.8837 -40.2328 -11.5104 -36.4393 -19.8837 -36.4393 2.854 GPRESSAVG: 384400 11.5593 -41.8073 -20.8982 -38.3532 -11.3211 -36.197 -18.4032 -37.8677 3.3894 TIMING: 384400 CPU: 1276.36, 0.00322079/step Wall: 1276.36, 0.00322079/step, 4.12941 hours remaining, 230.843750 MB of memory in use. ENERGY: 384400 3933.3962 20591.8826 14526.3171 260.6480 -203356.9887 2371.2386 0.0000 0.0000 52312.1749 -109361.3313 300.6388 -161673.5061 -108992.0277 299.7601 7.4055 28.4343 759451.8184 1.2719 1.2092 PRESSURE: 384600 30.2992 -80.5895 0.576961 -80.5883 -38.9344 -140.325 0.57685 -140.326 10.002 GPRESSURE: 384600 18.4684 -143.129 -2.75756 -104.279 4.53794 -111.883 8.79349 37.0682 72.606 PRESSAVG: 384600 8.43133 -43.4415 38.5359 -43.4415 3.75278 -19.5831 38.5359 -19.5831 -20.7418 GPRESSAVG: 384600 7.10012 -43.2751 38.1891 -45.5208 5.17741 -20.3781 39.7337 -15.0312 -20.5006 TIMING: 384600 CPU: 1277, 0.0031745/step Wall: 1277, 0.0031745/step, 4.06988 hours remaining, 231.246094 MB of memory in use. ENERGY: 384600 4004.0127 20646.7893 14547.1236 256.9434 -203492.4207 2707.0490 0.0000 0.0000 52016.8597 -109313.6431 298.9416 -161330.5028 -108954.5202 299.8043 0.4556 31.8708 759476.2328 -2.8526 -2.7410 PRESSURE: 384800 137.316 57.3263 102.633 57.3262 141.777 -31.8642 102.633 -31.8643 512.878 GPRESSURE: 384800 228.341 0.177984 94.3881 -4.02179 131.047 -13.5274 91.5117 14.5792 508.609 PRESSAVG: 384800 -39.5077 -3.3737 -21.5381 -3.37372 74.2483 -34.9646 -21.5381 -34.9646 14.7434 GPRESSAVG: 384800 -36.973 -2.98334 -20.5374 -1.12059 72.9759 -34.5911 -25.1853 -36.8274 13.8976 TIMING: 384800 CPU: 1277.63, 0.00314664/step Wall: 1277.63, 0.00314664/step, 4.03399 hours remaining, 231.246094 MB of memory in use. ENERGY: 384800 3892.7800 20557.0747 14512.7200 238.5554 -203696.1033 2496.3461 0.0000 0.0000 52466.3939 -109532.2331 301.5251 -161998.6270 -109167.9235 299.5670 263.9904 289.3323 759330.9220 16.4946 16.6335 PRESSURE: 385000 -137.767 -92.7419 199.345 -92.7425 -20.8632 139.342 199.346 139.342 -2.6416 GPRESSURE: 385000 -106.257 6.46853 203.2 29.1695 94.259 199.089 113.907 153.079 -70.4171 PRESSAVG: 385000 -30.2811 -12.3502 22.8255 -12.3502 10.9889 -12.6298 22.8255 -12.6297 1.87776 GPRESSAVG: 385000 -32.0522 -12.7692 22.8226 -14.5268 11.4235 -12.3799 25.3029 -14.2352 2.46926 TIMING: 385000 CPU: 1278.26, 0.00315381/step Wall: 1278.26, 0.00315381/step, 4.04301 hours remaining, 231.246094 MB of memory in use. ENERGY: 385000 3889.5367 20656.5803 14500.0973 249.0428 -203585.6318 2559.0289 0.0000 0.0000 51960.1262 -109771.2195 298.6156 -161731.3457 -109414.4087 298.7506 -53.7572 -27.4717 759318.4551 -5.8048 -6.0532 PRESSURE: 385200 143.098 -24.4199 -52.0363 -24.4208 395.362 -86.6366 -52.0363 -86.635 -213.207 GPRESSURE: 385200 127.444 18.7207 -112.332 -80.4107 443.702 -110.961 -70.1056 -66.9828 -167.264 PRESSAVG: 385200 -29.7632 -48.8389 -6.03187 -48.8389 43.345 38.964 -6.03183 38.9641 10.6852 GPRESSAVG: 385200 -30.9772 -45.987 -7.0988 -47.2536 44.3969 38.7947 -8.20302 40.48 11.1612 TIMING: 385200 CPU: 1278.89, 0.00316562/step Wall: 1278.89, 0.00316562/step, 4.05797 hours remaining, 231.449219 MB of memory in use. ENERGY: 385200 3971.3417 20442.1829 14516.8456 241.8983 -203504.5385 2587.4221 0.0000 0.0000 51853.9321 -109890.9158 298.0053 -161744.8479 -109521.5040 298.8147 108.4178 134.6273 760853.0837 8.0890 8.1936 PRESSURE: 385400 -87.3271 -156.958 -179.175 -156.958 67.8461 34.1076 -179.174 34.1079 -112.294 GPRESSURE: 385400 -62.8746 -165.516 -163.919 -83.8842 21.6003 53.3983 -105.742 -74.392 -34.8541 PRESSAVG: 385400 -15.4731 -27.3442 24.2118 -27.3442 12.411 11.4513 24.2119 11.4514 8.2543 GPRESSAVG: 385400 -13.636 -28.976 23.8487 -27.3095 10.1112 10.4408 26.117 11.702 8.73532 TIMING: 385400 CPU: 1279.52, 0.00316105/step Wall: 1279.52, 0.00316105/step, 4.05193 hours remaining, 231.449219 MB of memory in use. ENERGY: 385400 3989.9954 20557.8277 14477.0936 262.1641 -204008.4026 2892.5792 0.0000 0.0000 51924.8131 -109903.9294 298.4126 -161828.7425 -109535.1203 298.9306 -43.9250 -25.3761 761017.3801 1.7307 1.7369 PRESSURE: 385600 240.587 78.2318 25.1749 78.2311 -67.3374 100.967 25.1748 100.966 -293.325 GPRESSURE: 385600 232.367 84.1436 90.9618 27.1158 -1.24275 86.4391 -15.5517 79.5577 -267.845 PRESSAVG: 385600 34.8654 -23.9605 -0.053679 -23.9604 -22.184 6.59976 -0.0536983 6.5997 3.63545 GPRESSAVG: 385600 35.0645 -22.138 0.304735 -24.3815 -21.444 8.05002 0.988647 7.71348 2.24158 TIMING: 385600 CPU: 1280.15, 0.00315337/step Wall: 1280.15, 0.00315337/step, 4.04192 hours remaining, 231.449219 MB of memory in use. ENERGY: 385600 3944.6889 20423.8444 14406.2323 256.0276 -203621.1481 2418.0036 0.0000 0.0000 52180.8065 -109991.5448 299.8838 -162172.3513 -109633.9759 298.9596 -40.0253 -12.2403 759065.7545 5.4390 5.2874 PRESSURE: 385800 50.3723 -21.8411 23.3348 -21.8411 -151.119 25.4035 23.3348 25.4039 -363.162 GPRESSURE: 385800 26.8094 -64.749 -37.0876 39.1622 -96.0908 139.292 -11.2418 40.7757 -304.488 PRESSAVG: 385800 -10.4889 -77.9145 -32.4351 -77.9145 22.3309 -28.8889 -32.4351 -28.8888 -9.17187 GPRESSAVG: 385800 -10.3871 -79.2031 -32.2849 -76.4004 22.1938 -29.155 -32.7453 -30.5968 -9.0382 TIMING: 385800 CPU: 1280.79, 0.00316861/step Wall: 1280.79, 0.00316861/step, 4.06127 hours remaining, 231.449219 MB of memory in use. ENERGY: 385800 3972.0254 20403.0923 14484.4346 251.6166 -203412.0522 2352.7445 0.0000 0.0000 52069.0855 -109879.0532 299.2418 -161948.1387 -109508.3080 298.2805 -154.6362 -124.5897 761201.7892 0.8900 0.9228 PRESSURE: 386000 340.798 293.244 -258.062 293.244 -82.7549 -141.589 -258.062 -141.589 -249.521 GPRESSURE: 386000 259.836 285.604 -302.541 167.64 23.2897 -114.571 -212.811 -25.2709 -186.746 PRESSAVG: 386000 46.6961 -45.0149 -20.0858 -45.0149 -33.2128 -1.12273 -20.0859 -1.12275 -15.8241 GPRESSAVG: 386000 45.3053 -44.6934 -20.1927 -48.8776 -32.2216 -0.890208 -20.2173 0.355498 -15.1195 TIMING: 386000 CPU: 1281.42, 0.00314908/step Wall: 1281.42, 0.00314908/step, 4.03608 hours remaining, 231.449219 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: 386000 4022.0965 20465.7828 14459.5671 242.3424 -204051.9412 2877.3166 0.0000 0.0000 52219.2048 -109765.6310 300.1045 -161984.8358 -109404.2397 298.6414 2.8408 32.1264 759247.2643 -0.7803 -0.6786 PRESSURE: 386200 -270.098 116.181 -68.3896 116.18 165.257 101.089 -68.3896 101.09 333.998 GPRESSURE: 386200 -175.157 37.4832 -124.889 144.898 120.443 92.3117 30.0655 27.324 366.194 PRESSAVG: 386200 30.2582 37.9694 -73.2384 37.9694 -15.6161 -21.5763 -73.2384 -21.5763 19.7723 GPRESSAVG: 386200 31.9092 38.1857 -71.8067 40.7877 -16.9779 -22.5055 -73.9608 -20.8949 19.2976 TIMING: 386200 CPU: 1282.05, 0.00316181/step Wall: 1282.05, 0.00316181/step, 4.05221 hours remaining, 231.449219 MB of memory in use. ENERGY: 386200 3931.8022 20501.4048 14486.7439 255.5412 -203773.5849 2717.1882 0.0000 0.0000 52071.4594 -109809.4453 299.2554 -161880.9047 -109445.4701 298.5214 76.3858 103.8266 760916.3308 11.4715 11.4097 PRESSURE: 386400 -466.671 -155.234 40.1093 -155.234 -18.6011 119.527 40.1084 119.527 -489.48 GPRESSURE: 386400 -406.414 -16.5371 -74.0937 -168.596 -88.3421 121.545 116.06 14.6315 -398.712 PRESSAVG: 386400 -21.9623 -10.7364 -56.4642 -10.7364 9.69659 -55.4128 -56.4643 -55.4128 -10.7973 GPRESSAVG: 386400 -22.425 -11.3861 -59.141 -13.4897 10.1044 -57.4035 -55.3146 -57.0751 -10.1005 TIMING: 386400 CPU: 1282.68, 0.00316388/step Wall: 1282.68, 0.00316388/step, 4.05469 hours remaining, 231.449219 MB of memory in use. ENERGY: 386400 4003.9691 20504.8263 14505.1127 233.6650 -203338.4410 2468.8463 0.0000 0.0000 51896.8505 -109725.1710 298.2519 -161622.0216 -109368.2674 298.7215 -324.9174 -297.8227 762762.2551 -7.6877 -7.4737 PRESSURE: 386600 -61.5192 -66.0308 120.361 -66.0309 312.751 136.167 120.361 136.167 212.905 GPRESSURE: 386600 -46.9859 -26.0679 95.4794 -9.17998 336.097 96.7301 139.723 100.561 243.415 PRESSAVG: 386600 -14.4759 -35.6686 -23.7298 -35.6686 14.8329 -15.1753 -23.7299 -15.1753 4.11921 GPRESSAVG: 386600 -14.8742 -36.6727 -22.5672 -33.1971 15.2604 -14.4443 -25.2148 -15.7311 3.96935 TIMING: 386600 CPU: 1283.31, 0.00315779/step Wall: 1283.31, 0.00315779/step, 4.04671 hours remaining, 231.449219 MB of memory in use. ENERGY: 386600 3950.4400 20482.1942 14511.5000 237.9871 -203150.0709 2524.1723 0.0000 0.0000 51768.5874 -109675.1898 297.5148 -161443.7772 -109313.7788 298.3693 154.7121 177.5090 762163.4934 1.4921 1.4518 PRESSURE: 386800 232.843 -94.6352 129.93 -94.6358 82.5381 -201.253 129.931 -201.252 92.6395 GPRESSURE: 386800 284.02 -105.574 118.115 -78.3474 126.658 -151.649 38.3766 -155.539 45.6535 PRESSAVG: 386800 29.3792 28.0585 8.55504 28.0585 -38.8437 -0.898716 8.55501 -0.898689 4.98196 GPRESSAVG: 386800 29.7491 28.5507 8.59293 28.9525 -38.2639 0.244161 6.98178 0.239592 4.28513 TIMING: 386800 CPU: 1283.95, 0.00316201/step Wall: 1283.95, 0.00316201/step, 4.05194 hours remaining, 231.449219 MB of memory in use. ENERGY: 386800 3998.9418 20473.8456 14535.7134 245.7527 -203632.9141 2736.4292 0.0000 0.0000 52040.0217 -109602.2096 299.0747 -161642.2313 -109242.2945 298.7936 136.0070 152.1106 759026.0335 -1.4942 -1.4099 PRESSURE: 387000 -142.582 -101.931 -319.616 -101.93 -163.133 66.9089 -319.616 66.9091 -170.196 GPRESSURE: 387000 -101 1.37492 -370.003 -93.6637 -99.716 32.5324 -196.169 51.476 -185.278 PRESSAVG: 387000 29.1794 -64.8573 19.9323 -64.8572 -22.0083 -41.1267 19.9323 -41.1267 1.68185 GPRESSAVG: 387000 28.1082 -63.7299 19.2567 -66.8739 -21.5049 -41.7815 20.9028 -40.8247 2.4132 TIMING: 387000 CPU: 1284.58, 0.00316025/step Wall: 1284.58, 0.00316025/step, 4.04951 hours remaining, 231.449219 MB of memory in use. ENERGY: 387000 3983.2588 20502.0276 14489.8806 244.7157 -203644.4738 2690.3938 0.0000 0.0000 52008.8353 -109725.3621 298.8955 -161734.1974 -109362.4737 299.0589 -158.6369 -128.6646 761539.2115 2.9510 3.0055 PRESSURE: 387200 10.4372 -73.7061 -64.4182 -73.7062 427.442 -25.3369 -64.4181 -25.3366 366.85 GPRESSURE: 387200 122.995 -84.3616 -30.7215 -52.2489 278.984 -43.2795 47.22 -114.978 475.624 PRESSAVG: 387200 47.3302 -2.75274 -24.2484 -2.7527 -52.4588 -0.978989 -24.2485 -0.978979 -4.99462 GPRESSAVG: 387200 50.0742 -4.43102 -24.1396 -0.801857 -53.8108 -1.99466 -23.8832 -1.37374 -6.35556 TIMING: 387200 CPU: 1285.2, 0.00312917/step Wall: 1285.2, 0.00312917/step, 4.00951 hours remaining, 231.449219 MB of memory in use. ENERGY: 387200 3985.2661 20463.2087 14473.0523 252.2354 -204111.6963 3061.9309 0.0000 0.0000 52174.1499 -109701.8530 299.8456 -161876.0029 -109348.4888 298.8248 268.2431 292.5344 760239.6778 -3.3744 -3.3640 PRESSURE: 387400 62.2825 -136.908 -111.581 -136.908 -345.318 91.7595 -111.581 91.7592 24.5447 GPRESSURE: 387400 59.8268 -145.246 -214.697 -129.434 -181.797 38.4539 -131.978 10.7343 -31.8861 PRESSAVG: 387400 58.0275 39.3757 -3.59761 39.3756 -20.9911 -63.342 -3.59754 -63.3421 8.66335 GPRESSAVG: 387400 57.0256 41.1532 -2.51814 38.9514 -20.5477 -62.6885 -5.64145 -64.5018 8.81607 TIMING: 387400 CPU: 1285.84, 0.00315846/step Wall: 1285.84, 0.00315846/step, 4.04687 hours remaining, 231.449219 MB of memory in use. ENERGY: 387400 4031.0682 20464.2644 14503.4278 260.6869 -203789.9875 2707.8829 0.0000 0.0000 52304.4061 -109518.2512 300.5941 -161822.6573 -109155.4422 299.2265 -86.1638 -51.2854 759055.3366 15.2333 15.0980 PRESSURE: 387600 217.715 72.9251 73.6612 72.9255 13.8227 -217.399 73.661 -217.399 -59.5166 GPRESSURE: 387600 188.902 30.9937 58.844 45.5916 112.768 -209.092 -32.2272 -169.546 -43.1278 PRESSAVG: 387600 1.32933 17.2 13.5401 17.2 6.13491 -23.2982 13.5401 -23.2983 -4.32446 GPRESSAVG: 387600 -0.394834 17.0993 12.5514 15.4279 7.8064 -21.323 14.0471 -24.069 -3.98397 TIMING: 387600 CPU: 1286.47, 0.00315317/step Wall: 1286.47, 0.00315317/step, 4.03991 hours remaining, 231.449219 MB of memory in use. ENERGY: 387600 4030.6750 20683.2903 14474.7977 261.3674 -203553.6234 2684.6139 0.0000 0.0000 52084.7169 -109334.1622 299.3316 -161418.8791 -108977.2874 299.2711 57.3403 86.1810 757972.8620 1.0466 1.1425 PRESSURE: 387800 -92.1197 27.6482 122.012 27.6478 -239.136 -51.5837 122.011 -51.5837 331.219 GPRESSURE: 387800 -21.6892 16.4075 126.633 40.2026 -228.327 -65.5172 104.398 -111.245 348.906 PRESSAVG: 387800 6.79922 5.08515 -25.7505 5.08516 -9.62033 35.2373 -25.7506 35.2373 -1.91378 GPRESSAVG: 387800 7.51091 2.86984 -24.8115 5.24952 -9.92226 32.3156 -25.1082 37.1524 -2.54585 TIMING: 387800 CPU: 1287.1, 0.00315549/step Wall: 1287.1, 0.00315549/step, 4.0427 hours remaining, 231.449219 MB of memory in use. ENERGY: 387800 3891.5382 20383.1945 14484.0538 232.3474 -203319.3538 2640.2822 0.0000 0.0000 52017.2227 -109670.7151 298.9437 -161687.9378 -109314.7918 299.0544 -0.0123 32.9632 759637.0277 -1.5783 -1.6524 PRESSURE: 388000 -93.4405 -80.0929 71.9548 -80.0932 -24.3469 45.8179 71.9548 45.819 498.38 GPRESSURE: 388000 30.4784 -82.1526 -5.15002 -1.00364 -14.7885 3.30756 42.6193 -27.2631 427.426 PRESSAVG: 388000 -29.7986 5.59892 1.62897 5.59903 6.2693 -7.99174 1.62894 -7.99174 10.8328 GPRESSAVG: 388000 -29.2623 7.29135 -0.933017 5.54149 5.32319 -4.55918 2.27303 -7.41068 11.0474 TIMING: 388000 CPU: 1287.73, 0.00315758/step Wall: 1287.73, 0.00315758/step, 4.04521 hours remaining, 231.449219 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: 388000 3975.2769 20424.3802 14535.1498 239.3440 -203523.9408 2777.1402 0.0000 0.0000 51898.0401 -109674.6096 298.2587 -161572.6497 -109316.0616 298.5249 126.8641 147.7053 759929.3290 -4.2322 -4.2972 PRESSURE: 388200 -65.022 -208.661 107.418 -208.662 -209.357 -36.5148 107.418 -36.5137 584.518 GPRESSURE: 388200 -70.6539 -194.34 55.3365 -115.351 -126.608 -42.4436 73.9923 -76.9552 593.737 PRESSAVG: 388200 49.7849 8.30894 -0.61355 8.30893 -56.8378 0.254156 -0.613566 0.254154 1.42615 GPRESSAVG: 388200 47.9978 9.2136 -0.414207 8.63975 -55.412 -1.1976 -1.47761 -2.54411 1.59758 TIMING: 388200 CPU: 1288.36, 0.00315951/step Wall: 1288.36, 0.00315951/step, 4.04751 hours remaining, 231.449219 MB of memory in use. ENERGY: 388200 3927.8812 20517.7555 14399.6168 237.4995 -203081.5043 2306.2227 0.0000 0.0000 51899.8116 -109792.7170 298.2689 -161692.5286 -109434.8915 298.5240 103.3795 132.1584 760989.0711 -1.8756 -1.9389 LDB: ============= START OF LOAD BALANCING ============== 1300.78 LDB: ============== END OF LOAD BALANCING =============== 1300.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1300.78 LDB: ============= START OF LOAD BALANCING ============== 1301.1 LDB: Largest compute 7074 load 0.033112 is 17.0% of average load 0.195051 LDB: Average compute 0.004394 is 2.3% of average load 0.195051 LDB: TIME 1301.1 LOAD: AVG 0.195051 MAX 0.214597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.422 MB LDB: TIME 1301.1 LOAD: AVG 0.195051 MAX 0.214597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.516 MB LDB: TIME 1301.1 LOAD: AVG 0.195051 MAX 0.214597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.516 MB LDB: ============== END OF LOAD BALANCING =============== 1301.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1301.11 PRESSURE: 388400 8.97378 61.3081 -129.758 61.3079 -264.534 72.8289 -129.757 72.8299 -79.5772 GPRESSURE: 388400 -41.1062 75.809 -3.46046 48.218 -188.613 117.308 -13.6741 83.0391 -21.8129 PRESSAVG: 388400 6.51797 -28.3002 47.3776 -28.3002 -0.559914 19.4078 47.3776 19.4078 15.3269 GPRESSAVG: 388400 7.54385 -30.4282 50.8479 -27.428 -1.86515 21.358 46.6835 21.3138 15.5658 TIMING: 388400 CPU: 1289, 0.00320855/step Wall: 1289, 0.00320854/step, 4.11014 hours remaining, 230.441406 MB of memory in use. ENERGY: 388400 3916.3950 20634.8847 14533.8460 246.3916 -203307.3061 2289.2833 0.0000 0.0000 51771.9156 -109914.5898 297.5339 -161686.5054 -109565.6816 298.1916 -111.7125 -83.8441 760987.9947 7.0950 7.0815 PRESSURE: 388600 275.816 76.7609 -127.915 76.7603 67.5559 179.174 -127.915 179.175 442.882 GPRESSURE: 388600 338.436 -45.3472 -126.317 -10.8326 102.158 106.519 -129.428 195.028 404.42 PRESSAVG: 388600 -9.16693 -11.853 1.61289 -11.853 22.8344 42.4642 1.61289 42.4641 -5.55322 GPRESSAVG: 388600 -9.45465 -11.0064 -0.181121 -11.544 23.912 40.5345 0.915323 43.9224 -6.05718 TIMING: 388600 CPU: 1289.63, 0.00313584/step Wall: 1289.63, 0.00313584/step, 4.01684 hours remaining, 230.441406 MB of memory in use. ENERGY: 388600 3962.8715 20410.7108 14494.9862 244.0771 -204025.7133 3024.4004 0.0000 0.0000 51935.5875 -109953.0799 298.4745 -161888.6673 -109594.7955 298.0787 262.0847 281.6710 759756.4521 2.7048 2.8001 PRESSURE: 388800 -110.153 82.5338 -52.9765 82.5335 -51.7163 -68.8284 -52.9762 -68.8296 206.091 GPRESSURE: 388800 -39.3566 139.862 -60.4294 91.7108 -5.83907 18.9276 -250.347 -111.413 195.811 PRESSAVG: 388800 -22.6691 -33.7293 -17.9884 -33.7292 -17.9689 20.5994 -17.9884 20.5994 14.0775 GPRESSAVG: 388800 -21.9892 -34.6799 -19.0116 -33.4649 -18.4048 22.6753 -16.0887 17.754 14.0443 TIMING: 388800 CPU: 1290.26, 0.00313971/step Wall: 1290.26, 0.00313971/step, 4.02161 hours remaining, 230.441406 MB of memory in use. ENERGY: 388800 3945.2854 20407.4876 14453.0855 241.6077 -203538.8047 2681.3795 0.0000 0.0000 51968.2175 -109841.7415 298.6621 -161809.9591 -109473.0100 297.9962 14.7406 50.2052 761814.3840 -8.8535 -8.7832 PRESSURE: 389000 49.7753 -243.38 147.951 -243.379 -230.892 61.033 147.95 61.0333 -17.935 GPRESSURE: 389000 15.1746 -157.732 189.031 -247.636 -199.248 112.275 58.4381 189.425 81.794 PRESSAVG: 389000 -9.48411 17.1265 0.389178 17.1265 21.6369 48.6453 0.389127 48.6452 21.4179 GPRESSAVG: 389000 -11.1292 17.562 0.976162 18.0939 22.6867 46.2373 -0.08053 49.7717 22.1579 TIMING: 389000 CPU: 1290.89, 0.00314377/step Wall: 1290.89, 0.00314377/step, 4.02664 hours remaining, 230.441406 MB of memory in use. ENERGY: 389000 4075.0178 20476.9651 14497.7800 256.9617 -203243.4734 2292.4160 0.0000 0.0000 51854.3741 -109789.9587 298.0078 -161644.3328 -109434.0551 298.4206 -66.3506 -34.0931 761579.8841 11.1903 11.2385 PRESSURE: 389200 205.714 77.5376 -133.213 77.537 60.4925 89.5346 -133.213 89.5337 110.806 GPRESSURE: 389200 323.19 60.8548 -220.487 81.3112 -5.27083 78.3429 -103.975 119.933 149.321 PRESSAVG: 389200 -36.6018 -5.06392 29.8682 -5.06393 53.5013 34.3754 29.8682 34.3753 6.11297 GPRESSAVG: 389200 -35.6934 -2.44884 29.2697 -6.97373 52.7036 34.0064 28.607 34.7534 5.96753 TIMING: 389200 CPU: 1291.52, 0.00314546/step Wall: 1291.52, 0.00314546/step, 4.02863 hours remaining, 230.441406 MB of memory in use. ENERGY: 389200 3921.5646 20380.2099 14554.9326 263.2335 -203646.4691 2835.2768 0.0000 0.0000 52089.0225 -109602.2293 299.3563 -161691.2518 -109241.0834 298.4748 125.6711 155.7470 760221.6335 7.6708 7.6593 PRESSURE: 389400 -82.9024 -173.17 114.831 -173.17 58.2605 191.034 114.831 191.033 -5.29667 GPRESSURE: 389400 -43.6644 -175.753 86.4254 -199.955 83.5184 161.386 82.5069 9.22805 10.4062 PRESSAVG: 389400 -58.8188 -36.0926 -9.30244 -36.0925 6.34923 24.7111 -9.30247 24.7112 -10.9944 GPRESSAVG: 389400 -59.9024 -37.7286 -8.45449 -37.7773 6.15548 25.4773 -6.8776 23.4611 -10.246 TIMING: 389400 CPU: 1292.14, 0.0031474/step Wall: 1292.14, 0.0031474/step, 4.03094 hours remaining, 230.441406 MB of memory in use. ENERGY: 389400 3912.7754 20298.0180 14527.4173 251.1141 -203419.2048 2816.1249 0.0000 0.0000 51975.8415 -109637.9135 298.7059 -161613.7550 -109274.5958 298.5984 -9.9795 16.7534 763400.7791 -21.1547 -21.3310 PRESSURE: 389600 259.488 -122.751 62.8408 -122.75 -72.388 96.138 62.8397 96.1381 -35.1969 GPRESSURE: 389600 328.239 -53.2025 1.72746 -49.3626 -2.39064 80.4461 64.0758 208.489 -61.441 PRESSAVG: 389600 27.0077 -22.7339 15.4321 -22.7339 -8.92711 -17.7168 15.4321 -17.7166 8.37273 GPRESSAVG: 389600 27.3298 -21.2218 15.4865 -20.8666 -7.34588 -17.3716 16.0556 -17.7273 7.01765 TIMING: 389600 CPU: 1292.78, 0.00317897/step Wall: 1292.78, 0.00317897/step, 4.0712 hours remaining, 230.441406 MB of memory in use. ENERGY: 389600 3935.1116 20403.0382 14532.3403 248.4358 -203426.8155 2850.3705 0.0000 0.0000 52051.2206 -109406.2986 299.1391 -161457.5191 -109043.6324 299.0429 50.6343 88.1357 761436.8683 8.8178 9.0005 PRESSURE: 389800 -48.5363 154.434 76.4868 154.435 -233.89 -58.2606 76.4855 -58.2613 -256.421 GPRESSURE: 389800 -129.839 11.9549 4.6404 118.421 -142.567 -204.946 125.221 -54.5422 -164.16 PRESSAVG: 389800 -29.223 10.2484 46.1436 10.2484 37.318 0.856969 46.1436 0.856978 -12.5749 GPRESSAVG: 389800 -28.9958 8.52322 44.7519 11.5646 36.6595 1.29166 45.8525 0.319456 -11.9229 TIMING: 389800 CPU: 1293.41, 0.00314803/step Wall: 1293.41, 0.00314803/step, 4.0314 hours remaining, 230.441406 MB of memory in use. ENERGY: 389800 4019.7513 20437.3998 14472.5817 241.1097 -203351.7359 2616.3156 0.0000 0.0000 52161.8501 -109402.7276 299.7749 -161564.5777 -109038.1154 299.0049 -179.6155 -145.5219 762411.8447 -1.4933 -1.4197 PRESSURE: 390000 -121.382 5.00943 -136.163 5.01008 -266.334 58.6083 -136.164 58.6082 -74.3528 GPRESSURE: 390000 -218.24 -20.3126 -212.778 -159.8 -144.768 38.9921 -166.165 92.6678 -20.1391 PRESSAVG: 390000 -34.0907 6.72646 -12.1288 6.72641 16.6173 18.7479 -12.1288 18.7479 0.500749 GPRESSAVG: 390000 -35.0057 7.00763 -11.7574 4.9666 17.6766 20.417 -13.4729 17.2066 0.378706 TIMING: 390000 CPU: 1294.04, 0.00315428/step Wall: 1294.04, 0.00315428/step, 4.03923 hours remaining, 230.441406 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: 390000 4026.7371 20437.7254 14517.2447 248.4159 -203200.0407 2549.0147 0.0000 0.0000 52334.7644 -109086.1386 300.7686 -161420.9030 -108723.7680 299.1310 -154.0228 -127.7158 760929.8144 -5.6575 -5.6501 PRESSURE: 390200 -192.917 -169.303 -150.432 -169.304 -172.823 56.2179 -150.433 56.2184 -151.917 GPRESSURE: 390200 -257.526 -60.8157 -123.767 -65.779 -90.9724 42.2551 -3.41211 95.2791 -89.0234 PRESSAVG: 390200 31.5183 -17.7218 46.2865 -17.7218 2.22222 18.4452 46.2865 18.4452 -3.57415 GPRESSAVG: 390200 32.1187 -16.9077 45.6168 -16.8905 0.93498 16.3709 46.2104 19.3081 -2.83885 TIMING: 390200 CPU: 1294.67, 0.00312807/step Wall: 1294.67, 0.00312807/step, 4.00549 hours remaining, 230.441406 MB of memory in use. ENERGY: 390200 3956.8750 20548.4727 14455.0607 248.2659 -202979.0479 2353.6700 0.0000 0.0000 52287.8109 -109128.8927 300.4988 -161416.7036 -108767.3677 300.0696 -172.5525 -145.8405 760732.0506 10.0555 10.0716 PRESSURE: 390400 -793.144 147.031 -36.7917 147.031 -269.455 -158.898 -36.7917 -158.898 -292.903 GPRESSURE: 390400 -766.413 150.663 -64.6983 3.26704 -196.991 -114.634 -1.24083 -169.071 -300.089 PRESSAVG: 390400 21.9704 -29.7169 -49.1575 -29.7168 2.95581 36.6739 -49.1574 36.674 -13.0772 GPRESSAVG: 390400 21.4544 -30.6811 -47.8509 -30.9091 4.13214 36.4963 -46.4091 37.2357 -13.8305 TIMING: 390400 CPU: 1295.3, 0.00314819/step Wall: 1295.3, 0.00314819/step, 4.03108 hours remaining, 230.441406 MB of memory in use. ENERGY: 390400 4030.2157 20565.6055 14499.7000 250.6936 -202616.5914 2052.7265 0.0000 0.0000 51917.0979 -109300.5522 298.3683 -161217.6500 -108948.6603 299.4252 -451.8340 -421.1643 761101.3791 3.9497 3.9187 PRESSURE: 390600 11.0218 54.6617 28.827 54.6617 313.403 150.937 28.8263 150.936 261.989 GPRESSURE: 390600 45.6797 -29.8993 63.2629 -23.6053 451.314 118.216 -192.405 -4.03949 175.66 PRESSAVG: 390600 -26.4219 -9.57992 -36.7359 -9.57989 -0.0397636 -10.0726 -36.7358 -10.0725 -18.3826 GPRESSAVG: 390600 -25.7969 -10.2172 -37.6354 -9.17454 -0.801802 -10.7627 -37.0089 -9.35842 -18.1049 TIMING: 390600 CPU: 1295.93, 0.00315767/step Wall: 1295.93, 0.00315767/step, 4.04305 hours remaining, 230.441406 MB of memory in use. ENERGY: 390600 4023.3033 20339.4104 14480.1324 257.9305 -203351.9448 2915.6304 0.0000 0.0000 52192.8251 -109142.7127 299.9529 -161335.5378 -108785.1458 299.3432 195.4713 224.2179 759562.7551 -14.9481 -14.9012 PRESSURE: 390800 13.28 -196.238 31.4047 -196.237 56.496 -93.8767 31.4037 -93.8775 -19.0662 GPRESSURE: 390800 133.989 -139.733 10.7508 -133.003 115.692 -41.5332 27.8266 35.5212 -106.077 PRESSAVG: 390800 17.8379 -34 0.195912 -33.9999 5.90395 -7.00281 0.1959 -7.00279 -15.3782 GPRESSAVG: 390800 16.7571 -32.0402 0.959832 -33.3536 6.01047 -5.94947 -1.98014 -8.14296 -14.5756 TIMING: 390800 CPU: 1296.56, 0.00314585/step Wall: 1296.56, 0.00314585/step, 4.02774 hours remaining, 230.441406 MB of memory in use. ENERGY: 390800 4001.3039 20248.9701 14467.5976 237.2047 -203400.1740 2715.2113 0.0000 0.0000 52576.8771 -109153.0093 302.1600 -161729.8864 -108786.9486 300.0868 16.9033 47.8679 760800.3854 2.7879 2.7306 PRESSURE: 391000 -6.33343 -30.6022 -115.866 -30.602 -223.572 -93.7973 -115.866 -93.7972 -222.284 GPRESSURE: 391000 -27.9932 48.3631 -145.879 -53.6837 -173.096 -58.7877 -148.371 -95.3154 -174.38 PRESSAVG: 391000 30.9888 -51.2061 -41.1976 -51.206 -31.4127 -20.2219 -41.1976 -20.2219 4.82267 GPRESSAVG: 391000 31.8352 -54.8893 -38.5249 -50.6409 -32.0153 -19.594 -40.1671 -18.1072 4.48623 TIMING: 391000 CPU: 1297.19, 0.00314622/step Wall: 1297.19, 0.00314622/step, 4.02803 hours remaining, 230.441406 MB of memory in use. ENERGY: 391000 4029.3687 20427.6222 14551.2533 246.0058 -202596.7682 2164.5653 0.0000 0.0000 51894.7346 -109283.2183 298.2398 -161177.9529 -108926.7266 300.0213 -150.7296 -125.1566 760988.3863 1.4663 1.4354 PRESSURE: 391200 -79.5046 -69.2915 -196.454 -69.2906 279.061 13.1949 -196.454 13.1948 -15.8923 GPRESSURE: 391200 -71.3994 -52.2197 -243.77 -65.8092 283.708 -78.6166 -199.716 87.6295 47.0253 PRESSAVG: 391200 10.1908 -11.0998 -36.5835 -11.0998 -9.23115 2.52784 -36.5836 2.52777 -5.58863 GPRESSAVG: 391200 10.484 -9.09706 -39.9644 -11.707 -8.65366 1.37329 -36.657 2.57785 -6.18488 TIMING: 391200 CPU: 1297.82, 0.00314956/step Wall: 1297.82, 0.00314956/step, 4.03213 hours remaining, 230.441406 MB of memory in use. ENERGY: 391200 4031.9609 20328.7929 14576.5269 243.1562 -203355.9750 2683.5632 0.0000 0.0000 52423.3815 -109068.5934 301.2779 -161491.9748 -108701.0403 299.8044 61.2214 86.4448 759849.4303 -1.5430 -1.4515 PRESSURE: 391400 -197.839 111.912 105.69 111.913 76.1544 4.3202 105.691 4.31931 -200.91 GPRESSURE: 391400 -178.476 -11.8785 158.184 162.632 37.2759 64.6865 106.65 -27.8728 -113.426 PRESSAVG: 391400 -23.5772 -8.53765 -13.4097 -8.53766 5.59944 18.9283 -13.4097 18.9283 -21.9502 GPRESSAVG: 391400 -24.5798 -8.08221 -12.9971 -7.33085 5.65138 18.6096 -14.8379 19.5595 -21.7393 TIMING: 391400 CPU: 1298.44, 0.00314368/step Wall: 1298.44, 0.00314368/step, 4.02443 hours remaining, 230.441406 MB of memory in use. ENERGY: 391400 3972.8245 20469.9037 14499.1720 238.5771 -202867.3510 2472.5249 0.0000 0.0000 52208.3215 -109006.0273 300.0419 -161214.3488 -108644.7680 300.2448 -107.5315 -84.8752 762725.4670 -13.3093 -13.5559 PRESSURE: 391600 -545.097 170.149 100.329 170.148 -99.7911 -124.531 100.329 -124.53 -66.5486 GPRESSURE: 391600 -404.695 83.1142 123.519 166.629 -186.446 -185.734 -42.4294 -91.8451 -10.2319 PRESSAVG: 391600 -62.2029 6.50379 13.1585 6.50384 93.2002 54.5317 13.1585 54.5317 21.419 GPRESSAVG: 391600 -61.1047 8.44946 13.023 3.4974 92.2575 56.981 12.5729 49.1038 21.3458 TIMING: 391600 CPU: 1299.08, 0.00315155/step Wall: 1299.08, 0.00315155/step, 4.03434 hours remaining, 230.441406 MB of memory in use. ENERGY: 391600 3991.7614 20443.9939 14570.7395 248.2153 -202835.3540 2254.6169 0.0000 0.0000 52228.7204 -109097.3066 300.1592 -161326.0270 -108743.3778 300.2825 -237.1456 -200.4574 760963.1709 17.4721 17.4996 PRESSURE: 391800 -452.546 -39.3821 -292.945 -39.3823 -83.1295 24.2779 -292.945 24.2781 -134.125 GPRESSURE: 391800 -380.257 22.3704 -306.209 80.6407 -18.0129 4.75038 -190.435 26.1103 -183.84 PRESSAVG: 391800 -24.9602 -51.5176 -21.9547 -51.5176 -12.4446 11.3439 -21.9547 11.3439 -11.3362 GPRESSAVG: 391800 -24.6997 -53.291 -21.4063 -49.0046 -12.5787 9.82354 -20.8597 13.5343 -11.2098 TIMING: 391800 CPU: 1299.71, 0.00314881/step Wall: 1299.71, 0.00314881/step, 4.03065 hours remaining, 230.441406 MB of memory in use. ENERGY: 391800 3953.4425 20519.9612 14476.0470 247.8251 -203220.5587 2713.3824 0.0000 0.0000 52192.8627 -109117.0378 299.9531 -161309.9005 -108746.9609 299.6543 -223.2670 -194.0367 762390.6134 -16.2470 -16.1627 PRESSURE: 392000 -212.916 261.549 28.6649 261.549 -447.032 -72.3774 28.6643 -72.3771 -176.043 GPRESSURE: 392000 -140.334 194.737 -34.0795 290.237 -395.826 -107.188 66.3524 -92.4819 -225.697 PRESSAVG: 392000 32.2587 43.8214 -11.6464 43.8214 -44.1089 -39.9057 -11.6465 -39.9057 -2.34578 GPRESSAVG: 392000 31.8476 42.3015 -11.3449 44.4059 -43.0832 -39.6132 -10.4905 -39.9231 -2.44534 TIMING: 392000 CPU: 1300.33, 0.0031356/step Wall: 1300.33, 0.0031356/step, 4.01357 hours remaining, 230.441406 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: 392000 3970.1159 20425.2867 14507.8577 254.2244 -203219.9888 2437.9269 0.0000 0.0000 52262.2904 -109362.2868 300.3521 -161624.5772 -109002.8844 300.0144 -278.6638 -253.9523 763247.6793 -4.7320 -4.5603 PRESSURE: 392200 -31.1165 213.719 0.729599 213.719 -83.7747 -17.5167 0.729923 -17.5171 -75.4975 GPRESSURE: 392200 23.1348 180.667 33.3358 250.755 -112.653 -18.9477 -70.9657 94.738 -18.2489 PRESSAVG: 392200 -19.2829 24.0981 -0.95314 24.0981 1.09326 -11.0311 -0.953153 -11.0312 18.77 GPRESSAVG: 392200 -19.7839 24.6375 -0.864893 23.2969 1.70492 -11.7522 -1.53862 -9.97409 18.5329 TIMING: 392200 CPU: 1300.96, 0.00314565/step Wall: 1300.96, 0.00314565/step, 4.02625 hours remaining, 230.441406 MB of memory in use. ENERGY: 392200 4008.8054 20570.8557 14530.1758 261.8431 -203415.4414 2467.9345 0.0000 0.0000 51926.0711 -109649.7557 298.4198 -161575.8268 -109290.2301 299.0556 -63.4629 -35.9222 761281.0438 0.1935 0.1513 LDB: ============= START OF LOAD BALANCING ============== 1313.38 LDB: ============== END OF LOAD BALANCING =============== 1313.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1313.39 LDB: ============= START OF LOAD BALANCING ============== 1313.7 LDB: Largest compute 7058 load 0.033296 is 17.1% of average load 0.195055 LDB: Average compute 0.004406 is 2.3% of average load 0.195055 LDB: TIME 1313.71 LOAD: AVG 0.195055 MAX 0.212963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.746 MB LDB: TIME 1313.71 LOAD: AVG 0.195055 MAX 0.212963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.746 MB LDB: TIME 1313.71 LOAD: AVG 0.195055 MAX 0.212963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.746 MB LDB: ============== END OF LOAD BALANCING =============== 1313.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1313.71 PRESSURE: 392400 -180.466 21.2536 -9.50944 21.255 -244.769 99.1131 -9.50915 99.113 120.554 GPRESSURE: 392400 -114.309 -42.9355 -74.0728 73.7337 -175.674 34.259 29.4825 35.4508 62.4372 PRESSAVG: 392400 -2.89365 -15.3986 24.7557 -15.3985 -27.5176 -42.4603 24.7557 -42.4602 -10.6902 GPRESSAVG: 392400 -3.25844 -15.3524 22.7924 -15.5544 -26.6013 -42.2855 25.5579 -41.867 -10.8677 TIMING: 392400 CPU: 1301.61, 0.00323411/step Wall: 1301.61, 0.00323411/step, 4.13931 hours remaining, 231.644531 MB of memory in use. ENERGY: 392400 4007.2649 20363.4316 14511.0277 247.2636 -203394.8196 2507.5440 0.0000 0.0000 52246.8727 -109511.4151 300.2635 -161758.2878 -109134.1447 299.1198 -101.5604 -75.8489 762370.9983 -13.7005 -13.5758 PRESSURE: 392600 -139.512 -92.5329 -80.2424 -92.5314 -20.6229 -43.425 -80.2417 -43.425 -121.425 GPRESSURE: 392600 -133.938 -149.639 -117.21 -133.404 -6.29102 -33.8888 -44.4535 48.3565 -55.3653 PRESSAVG: 392600 -27.5641 -25.7202 -11.7901 -25.7202 -7.62302 1.95241 -11.7902 1.95244 10.0878 GPRESSAVG: 392600 -26.2233 -24.8288 -10.9725 -27.0345 -9.39689 1.33961 -13.0843 0.636492 10.5019 TIMING: 392600 CPU: 1302.24, 0.00317563/step Wall: 1302.24, 0.00317563/step, 4.06427 hours remaining, 231.714844 MB of memory in use. ENERGY: 392600 3977.3119 20350.0387 14559.6585 238.7778 -203317.9106 2511.9924 0.0000 0.0000 52055.0606 -109625.0707 299.1611 -161680.1313 -109263.0951 298.9995 -93.8530 -65.1982 761531.6182 -8.3664 -8.3728 PRESSURE: 392800 5.26542 -104.791 22.2941 -104.792 -51.8956 105.605 22.295 105.607 -51.3544 GPRESSURE: 392800 -26.9629 -42.3529 33.4371 12.5076 36.1179 142.569 176.738 123.403 -19.9213 PRESSAVG: 392800 20.7651 23.959 77.8648 23.959 -19.4339 -4.71221 77.8648 -4.71224 -10.5634 GPRESSAVG: 392800 20.6102 21.8336 78.2095 25.8832 -20.0257 -4.45938 77.0885 -4.57348 -9.52878 TIMING: 392800 CPU: 1302.88, 0.00316839/step Wall: 1302.88, 0.00316839/step, 4.05483 hours remaining, 231.714844 MB of memory in use. ENERGY: 392800 4023.6439 20254.3596 14548.7836 243.4841 -203406.3859 2567.7688 0.0000 0.0000 52007.9902 -109760.3558 298.8906 -161768.3459 -109395.6018 298.8979 -32.6615 -3.5888 759702.1049 -3.0774 -2.9814 PRESSURE: 393000 345.547 38.8479 -37.7322 38.8475 237.926 162.042 -37.7327 162.042 -54.7446 GPRESSURE: 393000 384.11 40.1524 -21.8087 -37.97 263.654 170.616 181.011 108.72 -53.6002 PRESSAVG: 393000 41.5672 -19.1199 4.21828 -19.1199 -35.9584 19.4775 4.21826 19.4775 8.83575 GPRESSAVG: 393000 42.1649 -18.2791 6.05783 -19.1043 -34.6405 18.8308 4.50327 22.5123 6.90401 TIMING: 393000 CPU: 1303.54, 0.00331164/step Wall: 1303.54, 0.00331164/step, 4.23798 hours remaining, 231.714844 MB of memory in use. ENERGY: 393000 3997.7336 20431.2861 14502.0833 226.6727 -203518.9888 2506.4023 0.0000 0.0000 52046.1158 -109808.6949 299.1097 -161854.8107 -109447.9767 298.9581 176.2427 198.0546 759735.0452 4.8148 4.8095 PRESSURE: 393200 -67.4974 -13.8949 -75.0564 -13.8958 -435.878 37.8266 -75.0563 37.8254 -223.504 GPRESSURE: 393200 -11.8917 26.7742 -93.2309 -18.2297 -316.2 -15.2052 -20.9641 24.6195 -302.436 PRESSAVG: 393200 25.0512 -3.99645 -17.6578 -3.99648 32.2554 8.55269 -17.6578 8.55262 4.27695 GPRESSAVG: 393200 24.1106 -4.86074 -20.4448 -3.16689 33.8379 10.1674 -18.3168 6.16838 3.76731 TIMING: 393200 CPU: 1304.17, 0.00313778/step Wall: 1304.17, 0.00313778/step, 4.01532 hours remaining, 231.714844 MB of memory in use. ENERGY: 393200 3989.4661 20454.0120 14452.1460 244.2455 -203232.3149 2307.9439 0.0000 0.0000 51843.3479 -109941.1535 297.9444 -161784.5014 -109581.2217 298.2582 -242.2932 -210.1757 761004.6136 20.5278 20.5719 PRESSURE: 393400 105.724 -159.807 -23.1971 -159.806 -96.5755 208.4 -23.1971 208.401 96.3352 GPRESSURE: 393400 41.4516 -101.849 55.5357 -106.631 -39.2698 220.588 37.6913 159.613 190.026 PRESSAVG: 393400 19.9205 8.36647 14.9988 8.36649 -69.5608 3.91481 14.9988 3.9148 1.41495 GPRESSAVG: 393400 20.4558 11.1283 17.2245 7.74422 -70.401 5.41911 15.209 2.94453 2.26439 TIMING: 393400 CPU: 1304.79, 0.00312418/step Wall: 1304.79, 0.00312418/step, 3.99774 hours remaining, 231.714844 MB of memory in use. ENERGY: 393400 3941.5502 20455.1146 14442.5669 245.9780 -203500.8031 2743.9949 0.0000 0.0000 51876.4199 -109795.1787 298.1345 -161671.5986 -109435.8646 298.2780 35.1614 64.0693 761503.8785 -16.0751 -15.8936 PRESSURE: 393600 -162.466 80.2191 144.11 80.2194 78.5983 -205.174 144.11 -205.175 361.231 GPRESSURE: 393600 -87.008 68.0935 54.2 51.5515 130.916 -163.315 148.159 -290.251 317.92 PRESSAVG: 393600 28.0494 -57.0791 -34.6098 -57.0791 7.32877 47.8785 -34.6098 47.8784 2.02664 GPRESSAVG: 393600 28.9157 -59.0785 -34.1018 -56.4272 7.18958 44.5774 -35.6467 50.3775 1.17892 TIMING: 393600 CPU: 1305.42, 0.00314835/step Wall: 1305.42, 0.00314835/step, 4.02848 hours remaining, 231.714844 MB of memory in use. ENERGY: 393600 3955.4503 20447.6648 14454.5168 247.4384 -203699.2834 2884.9473 0.0000 0.0000 51773.2906 -109935.9752 297.5418 -161709.2658 -109592.1890 298.0814 92.4542 120.6096 761376.5784 12.4683 12.4281 PRESSURE: 393800 126.826 -141.659 -104.245 -141.659 -300.721 23.8894 -104.245 23.8894 -234.332 GPRESSURE: 393800 46.7234 -244.477 -65.3547 -237.428 -179.37 -37.6883 -147.986 35.058 -207.935 PRESSAVG: 393800 -0.91107 -65.0789 -60.3219 -65.0789 -1.15495 15.9714 -60.3218 15.9714 2.13829 GPRESSAVG: 393800 -1.50744 -64.6677 -59.5774 -64.7636 -2.27802 16.5275 -58.9597 14.4502 3.37857 TIMING: 393800 CPU: 1306.06, 0.00320245/step Wall: 1306.06, 0.00320245/step, 4.09754 hours remaining, 231.714844 MB of memory in use. ENERGY: 393800 4042.1503 20387.5641 14439.2938 241.5995 -203471.4546 2627.9654 0.0000 0.0000 51940.8859 -109791.9955 298.5050 -161732.8814 -109436.0935 298.2665 -136.0755 -113.5271 763253.7111 0.0241 -0.1356 PRESSURE: 394000 -352.579 120.868 63.3025 120.868 -138.594 39.1975 63.3027 39.1976 -296.002 GPRESSURE: 394000 -232.272 152.126 109.356 -26.0202 -170.359 113.932 1.36953 10.8764 -301.733 PRESSAVG: 394000 -25.9132 -36.5883 76.7649 -36.5883 13.4247 39.2704 76.7649 39.2704 -1.91125 GPRESSAVG: 394000 -24.8853 -37.611 75.8406 -38.1427 13.1005 38.493 76.3106 40.1325 -2.09367 TIMING: 394000 CPU: 1306.69, 0.00316098/step Wall: 1306.69, 0.00316098/step, 4.0443 hours remaining, 231.714844 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: 394000 4071.8938 20476.5319 14471.6871 232.1280 -202819.7202 2124.3460 0.0000 0.0000 51675.1936 -109767.9399 296.9780 -161443.1335 -109404.9017 298.5771 -262.3916 -234.7883 759830.4339 -4.7999 -4.6261 PRESSURE: 394200 129.414 -65.3522 -146.827 -65.3526 479.252 -210.535 -146.827 -210.535 130.771 GPRESSURE: 394200 140.834 37.8271 -140.335 -28.1303 476.618 -217.049 -200.508 -178.07 174.003 PRESSAVG: 394200 -12.6126 -38.7337 -12.3627 -38.7337 0.866791 20.3652 -12.3627 20.3652 22.2099 GPRESSAVG: 394200 -14.5426 -37.5511 -12.1063 -39.2825 2.90838 21.6707 -13.0406 20.9373 21.7984 TIMING: 394200 CPU: 1307.32, 0.00314583/step Wall: 1307.32, 0.00314583/step, 4.02474 hours remaining, 231.714844 MB of memory in use. ENERGY: 394200 4052.3982 20610.9111 14466.3152 236.5224 -203251.5680 2404.3275 0.0000 0.0000 51876.1246 -109604.9689 298.1328 -161481.0935 -109245.9579 298.6843 246.4791 263.8183 759399.0524 3.4880 3.3881 PRESSURE: 394400 182.732 -52.3668 7.35912 -52.3663 -353.436 -107.703 7.35892 -107.703 -400.245 GPRESSURE: 394400 199.322 -2.80804 27.7543 18.7301 -289.906 -68.8731 94.1605 -66.6449 -397.355 PRESSAVG: 394400 36.5484 -50.7208 18.4252 -50.7208 -9.53009 -2.93186 18.4253 -2.93193 15.1438 GPRESSAVG: 394400 37.6836 -47.7491 18.1276 -50.7713 -10.3306 -3.37118 21.3527 -4.04642 14.9054 TIMING: 394400 CPU: 1307.95, 0.00315371/step Wall: 1307.95, 0.00315371/step, 4.03465 hours remaining, 231.714844 MB of memory in use. ENERGY: 394400 3980.4422 20528.0577 14440.5706 233.9667 -202850.9255 2349.2044 0.0000 0.0000 51964.8645 -109353.8193 298.6428 -161318.6838 -108991.5326 299.0257 -190.3165 -162.6463 761645.6371 14.0540 14.0861 PRESSURE: 394600 -288.101 73.5966 -32.1702 73.5964 44.7947 -71.9769 -32.1702 -71.9758 -226.421 GPRESSURE: 394600 -293.657 100.21 38.1656 102.419 60.8517 -101.493 -169.954 -72.7647 -144.301 PRESSAVG: 394600 42.6182 -17.2978 15.4569 -17.2979 -23.6341 8.80046 15.4568 8.80049 14.7957 GPRESSAVG: 394600 40.7855 -18.955 16.1144 -16.0696 -22.7128 8.64066 12.4108 9.94836 15.959 TIMING: 394600 CPU: 1308.59, 0.00318061/step Wall: 1308.59, 0.00318061/step, 4.06888 hours remaining, 231.714844 MB of memory in use. ENERGY: 394600 4002.2575 20555.6225 14457.0366 238.2182 -203241.9288 2609.4517 0.0000 0.0000 52010.9051 -109368.4371 298.9074 -161379.3423 -109011.5601 299.3603 -156.5756 -125.7019 761382.7794 11.2599 11.3439 PRESSURE: 394800 66.2 39.2859 17.849 39.286 -0.42836 -265.69 17.8497 -265.69 178.718 GPRESSURE: 394800 70.3585 26.8466 63.959 17.2776 93.7248 -211.391 27.1844 -385.186 167.756 PRESSAVG: 394800 -42.0249 1.73002 -20.9557 1.73004 91.2106 18.1638 -20.9557 18.1638 -14.289 GPRESSAVG: 394800 -40.9827 0.869471 -22.998 1.58465 90.9178 19.7406 -19.7595 16.9023 -15.1384 TIMING: 394800 CPU: 1309.22, 0.00315386/step Wall: 1309.22, 0.00315386/step, 4.03448 hours remaining, 231.714844 MB of memory in use. ENERGY: 394800 4025.1343 20406.3342 14457.6927 234.3166 -203527.3025 2768.2585 0.0000 0.0000 52135.7401 -109499.8262 299.6248 -161635.5663 -109125.9368 299.0837 81.4965 110.6130 761358.6153 11.6322 11.5989 PRESSURE: 395000 -221.183 23.3328 -57.9094 23.3328 -386.277 -142.922 -57.909 -142.922 -277.915 GPRESSURE: 395000 -216.314 37.3148 -70.7952 -40.4261 -261.162 -127.008 -144.857 -93.8901 -320.551 PRESSAVG: 395000 -89.6795 -30.4021 -17.5355 -30.4021 36.8063 38.1835 -17.5355 38.1834 -2.36896 GPRESSAVG: 395000 -89.7767 -28.4856 -16.465 -32.0148 36.8432 36.0512 -19.3707 37.4367 -2.0645 TIMING: 395000 CPU: 1309.85, 0.00313638/step Wall: 1309.85, 0.00313637/step, 4.01195 hours remaining, 231.714844 MB of memory in use. ENERGY: 395000 3981.8283 20518.3114 14434.0317 256.4296 -202974.4845 2219.9305 0.0000 0.0000 52219.5929 -109344.3601 300.1067 -161563.9530 -108984.6387 299.2375 -295.1251 -266.0091 760168.5741 -18.4141 -18.3327 PRESSURE: 395200 -68.5745 57.0552 -4.26821 57.0544 205.788 192.168 -4.26826 192.167 -185.87 GPRESSURE: 395200 -9.60566 191.878 -102.213 60.5138 157.021 284.306 67.5918 138.916 -129.866 PRESSAVG: 395200 -38.1156 -60.2504 -17.2336 -60.2504 -12.9192 24.1039 -17.2336 24.1038 1.38565 GPRESSAVG: 395200 -37.4064 -61.3173 -16.733 -59.8765 -13.6219 27.4995 -17.3896 24.0423 1.36606 TIMING: 395200 CPU: 1310.48, 0.00314675/step Wall: 1310.48, 0.00314675/step, 4.02504 hours remaining, 231.714844 MB of memory in use. ENERGY: 395200 4002.5287 20423.6131 14459.2457 242.1250 -203066.5841 2169.2756 0.0000 0.0000 52364.3787 -109405.4173 300.9388 -161769.7960 -109040.1972 299.5015 -16.2189 5.8497 762081.5158 -16.5497 -16.5541 PRESSURE: 395400 156.124 1.75665 85.9145 1.75609 -64.0657 -52.8001 85.9152 -52.8003 36.8896 GPRESSURE: 395400 156.204 23.1771 46.7591 -52.3654 -28.0862 -98.6843 -13.3808 -14.3218 77.239 PRESSAVG: 395400 -33.1619 -34.9754 -4.92551 -34.9754 12.4811 24.7159 -4.92562 24.7158 10.85 GPRESSAVG: 395400 -33.0383 -36.4287 -7.1175 -34.6906 13.4181 22.4714 -2.67909 27.7329 10.0387 TIMING: 395400 CPU: 1311.11, 0.00315424/step Wall: 1311.11, 0.00315424/step, 4.03445 hours remaining, 231.714844 MB of memory in use. ENERGY: 395400 3955.9169 20627.6858 14505.9704 245.1758 -203140.6984 2280.5802 0.0000 0.0000 52282.4234 -109242.9458 300.4678 -161525.3692 -108881.8590 300.0369 42.9825 68.4523 761477.8154 -3.2769 -3.1938 PRESSURE: 395600 -248.816 -220.858 71.7912 -220.857 -273.943 44.4115 71.7914 44.4118 126.758 GPRESSURE: 395600 -213.079 -312.286 60.9672 -69.4455 -225.952 26.5932 167.188 -29.7244 123.226 PRESSAVG: 395600 -16.7544 41.999 -3.90316 41.9989 23.7279 1.02319 -3.90307 1.0232 8.88946 GPRESSAVG: 395600 -17.0935 44.4532 -2.11217 42.4817 23.8355 1.34471 -5.82691 -1.09041 8.87606 TIMING: 395600 CPU: 1311.74, 0.00316133/step Wall: 1311.74, 0.00316133/step, 4.04334 hours remaining, 231.714844 MB of memory in use. ENERGY: 395600 3896.6720 20593.2074 14507.8256 253.9850 -202930.5007 2311.2077 0.0000 0.0000 52197.6639 -109169.9391 299.9807 -161367.6030 -108795.8602 300.1217 -132.0004 -105.2685 762836.8576 5.2877 5.2060 PRESSURE: 395800 71.8297 -83.3698 154.062 -83.3704 -118.924 -55.4834 154.062 -55.4835 -178.164 GPRESSURE: 395800 22.9345 -95.4037 213.723 -155.285 -17.5806 -1.08645 120.151 76.5628 -146.158 PRESSAVG: 395800 -38.6854 -36.3558 55.4015 -36.3558 -5.89361 27.7984 55.4014 27.7984 8.16246 GPRESSAVG: 395800 -39.0448 -39.0822 54.1778 -35.3936 -6.24678 27.6131 57.9854 28.1601 9.04948 TIMING: 395800 CPU: 1312.37, 0.00314542/step Wall: 1312.37, 0.00314542/step, 4.02282 hours remaining, 231.714844 MB of memory in use. ENERGY: 395800 3913.4722 20464.3314 14496.6103 232.4530 -203116.9859 2508.7873 0.0000 0.0000 52168.7681 -109332.5635 299.8146 -161501.3317 -108964.0464 299.5835 -75.0861 -46.9347 761879.7922 -12.1388 -12.0807 PRESSURE: 396000 -28.0575 146.091 145.827 146.092 15.1128 33.1025 145.827 33.103 -218.54 GPRESSURE: 396000 12.9648 89.7461 207.179 57.1509 112.313 -24.0011 147.646 77.9975 -251.791 PRESSAVG: 396000 -11.5469 18.8596 18.1749 18.8596 12.5683 22.6214 18.1748 22.6214 -10.2094 GPRESSAVG: 396000 -11.818 20.0509 17.8914 16.83 12.4415 22.0373 18.5686 24.5556 -10.1645 TIMING: 396000 CPU: 1313, 0.0031398/step Wall: 1313, 0.0031398/step, 4.01546 hours remaining, 231.714844 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: 396000 3929.1684 20294.7114 14397.9213 249.4767 -203085.3929 2535.1355 0.0000 0.0000 52389.3577 -109289.6220 301.0824 -161678.9797 -108914.1488 299.2866 -77.1616 -42.1713 762082.1896 -3.0627 -3.1803 PRESSURE: 396200 -201.859 57.687 253.234 57.6877 51.3182 -147.404 253.233 -147.403 104.321 GPRESSURE: 396200 -137.608 92.8983 123.857 49.4626 87.5745 -102.986 279.412 -148.218 85.4843 PRESSAVG: 396200 -34.568 48.5447 -66.0634 48.5447 27.6808 58.7412 -66.0634 58.7412 16.0048 GPRESSAVG: 396200 -34.3918 50.0687 -64.7211 51.1439 28.5524 57.366 -67.7876 58.8255 14.6495 TIMING: 396200 CPU: 1313.63, 0.00315985/step Wall: 1313.63, 0.00315985/step, 4.04092 hours remaining, 231.714844 MB of memory in use. ENERGY: 396200 3880.4232 20515.0150 14430.0250 239.8527 -202996.2096 2559.3953 0.0000 0.0000 52084.9706 -109286.5277 299.3330 -161371.4983 -108928.2702 299.5178 -15.4066 11.8170 763045.2699 3.0392 2.9367 LDB: ============= START OF LOAD BALANCING ============== 1326.05 LDB: ============== END OF LOAD BALANCING =============== 1326.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1326.05 LDB: ============= START OF LOAD BALANCING ============== 1326.37 LDB: Largest compute 7025 load 0.034361 is 17.6% of average load 0.195050 LDB: Average compute 0.004406 is 2.3% of average load 0.195050 LDB: TIME 1326.37 LOAD: AVG 0.19505 MAX 0.212044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.695 MB LDB: TIME 1326.37 LOAD: AVG 0.19505 MAX 0.212044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: TIME 1326.37 LOAD: AVG 0.19505 MAX 0.212044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: ============== END OF LOAD BALANCING =============== 1326.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1326.38 PRESSURE: 396400 -194.483 -66.84 -100.451 -66.8408 -331.572 146.346 -100.451 146.347 473.404 GPRESSURE: 396400 -197.98 -100.738 -81.3943 -46.9189 -250.887 110.019 56.6119 89.4477 469.307 PRESSAVG: 396400 -28.7719 -0.449939 -17.4095 -0.450005 4.87311 49.7268 -17.4095 49.7268 -17.4272 GPRESSAVG: 396400 -28.1401 0.206264 -17.6972 -3.31923 3.5497 50.2305 -17.3054 46.7476 -16.7128 TIMING: 396400 CPU: 1314.27, 0.00322104/step Wall: 1314.27, 0.00322104/step, 4.119 hours remaining, 230.671875 MB of memory in use. ENERGY: 396400 3980.2368 20257.8349 14441.9840 257.6254 -203135.8839 2687.9908 0.0000 0.0000 52349.8292 -109160.3829 300.8552 -161510.2121 -108800.4732 299.7363 -17.5504 6.8133 762650.8681 -13.7753 -13.7677 PRESSURE: 396600 -39.8013 35.742 69.7113 35.7426 -34.4638 -144.756 69.7112 -144.756 -53.0539 GPRESSURE: 396600 -39.1362 145.642 35.1214 -44.0927 9.96596 -143.768 60.4994 -209.103 -12.8421 PRESSAVG: 396600 -35.134 -25.6156 2.5234 -25.6156 42.4027 0.176869 2.52339 0.176926 -7.54777 GPRESSAVG: 396600 -35.8817 -26.9354 3.90811 -24.4055 43.9767 2.704 1.46965 -0.0660292 -8.1614 TIMING: 396600 CPU: 1314.9, 0.0031497/step Wall: 1314.9, 0.0031497/step, 4.02759 hours remaining, 230.871094 MB of memory in use. ENERGY: 396600 4050.8318 20574.3979 14461.2757 260.8205 -203549.0959 2771.8579 0.0000 0.0000 52137.3848 -109292.5274 299.6343 -161429.9122 -108926.4806 300.0148 -42.4397 -14.0041 761179.4781 -0.0930 -0.0221 PRESSURE: 396800 -119.477 -82.495 -78.9999 -82.494 178.482 -17.2243 -79.0001 -17.2242 -406.084 GPRESSURE: 396800 -106.982 -168.15 -24.9569 -97.4472 154.081 25.9416 -75.2941 36.7487 -294.138 PRESSAVG: 396800 22.7799 -12.1654 -34.2289 -12.1654 -27.7953 9.8667 -34.229 9.86665 14.9905 GPRESSAVG: 396800 23.4332 -11.3142 -35.2313 -11.9877 -28.8852 9.83797 -33.8447 11.6364 14.834 TIMING: 396800 CPU: 1315.53, 0.00315236/step Wall: 1315.53, 0.00315236/step, 4.03082 hours remaining, 230.871094 MB of memory in use. ENERGY: 396800 3984.9496 20371.1293 14455.9725 261.1419 -203408.0213 2407.8891 0.0000 0.0000 52469.9731 -109456.9657 301.5457 -161926.9388 -109088.5023 300.0278 -115.6929 -82.3465 761326.5623 3.3250 3.1273 PRESSURE: 397000 -92.026 -232.899 -89.9035 -232.9 -167.042 -81.9841 -89.9031 -81.9841 -187.148 GPRESSURE: 397000 -89.6675 -263.527 -13.5304 -174.51 -85.3582 -80.3149 -92.3264 8.18269 -177.873 PRESSAVG: 397000 -18.2858 -1.39498 -32.2894 -1.39498 12.7095 9.33969 -32.2894 9.33962 23.7144 GPRESSAVG: 397000 -19.2185 -4.07724 -33.1637 0.439572 14.2378 8.49357 -31.2895 8.77462 23.6795 TIMING: 397000 CPU: 1316.17, 0.00315668/step Wall: 1316.17, 0.00315668/step, 4.03616 hours remaining, 230.871094 MB of memory in use. ENERGY: 397000 4066.6139 20561.3787 14511.5965 216.0992 -203053.7778 2382.8834 0.0000 0.0000 51959.2867 -109355.9194 298.6107 -161315.2061 -108987.7193 300.1677 -148.7387 -117.6330 761805.9152 6.0461 6.2329 PRESSURE: 397200 -171.365 -87.6897 -169.616 -87.6894 -139.688 -225.383 -169.616 -225.383 338.582 GPRESSURE: 397200 -16.0974 -129.258 -173.049 -126.84 -72.3578 -294.309 -67.8651 -231.24 183.825 PRESSAVG: 397200 -31.3173 -5.15308 -36.372 -5.15306 42.8084 -14.5157 -36.372 -14.5158 -4.40448 GPRESSAVG: 397200 -30.6168 -4.48485 -34.2561 -4.39857 43.3001 -15.5374 -38.7555 -12.9738 -4.9527 TIMING: 397200 CPU: 1316.8, 0.00315521/step Wall: 1316.8, 0.00315521/step, 4.03411 hours remaining, 230.871094 MB of memory in use. ENERGY: 397200 4041.0478 20525.3799 14378.9340 241.0475 -203291.0381 2452.1581 0.0000 0.0000 52281.8710 -109370.5997 300.4646 -161652.4707 -108996.2589 299.7910 9.1764 31.7900 761113.1469 2.3622 2.5769 PRESSURE: 397400 125.303 -30.5662 -77.1234 -30.5668 -315.137 81.1709 -77.1233 81.1715 277.35 GPRESSURE: 397400 176.639 -120.283 -4.97151 15.2027 -269.496 7.7859 -91.5727 37.2325 269.536 PRESSAVG: 397400 -9.53512 -29.0402 -30.3007 -29.0401 65.2659 -12.7608 -30.3007 -12.7608 -16.1421 GPRESSAVG: 397400 -9.52687 -30.9094 -31.6717 -30.6953 64.0286 -12.8787 -29.288 -13.8237 -15.0646 TIMING: 397400 CPU: 1317.42, 0.00313849/step Wall: 1317.42, 0.00313849/step, 4.01256 hours remaining, 230.871094 MB of memory in use. ENERGY: 397400 3932.6111 20599.8164 14422.3699 251.9353 -203211.0251 2401.5065 0.0000 0.0000 52245.1528 -109357.6330 300.2536 -161602.7858 -108992.1651 299.8445 29.1721 58.8929 758886.2344 13.1962 13.1457 PRESSURE: 397600 -225.349 -111.826 -109.271 -111.827 -262.595 -89.8106 -109.272 -89.8106 -122.07 GPRESSURE: 397600 -182.402 -130.877 -92.1209 -145.224 -245.649 -115.965 -41.3298 71.8051 -105.952 PRESSAVG: 397600 -16.3925 -36.9533 -37.2574 -36.9533 -26.7218 -6.71318 -37.2574 -6.71318 4.28231 GPRESSAVG: 397600 -15.6669 -34.8926 -37.8919 -36.9485 -26.4865 -5.58381 -34.5893 -7.94825 3.72352 TIMING: 397600 CPU: 1318.05, 0.00314931/step Wall: 1318.05, 0.00314931/step, 4.02622 hours remaining, 230.871094 MB of memory in use. ENERGY: 397600 4007.7542 20655.9427 14475.7117 263.9040 -202854.5203 2369.4579 0.0000 0.0000 51648.2683 -109433.4816 296.8233 -161081.7499 -109090.5337 300.0392 -203.3378 -178.0010 759550.1045 -12.9440 -12.8100 PRESSURE: 397800 -128.682 177.146 51.6982 177.147 128.918 108.29 51.6986 108.289 338.934 GPRESSURE: 397800 -159.248 77.501 122.469 46.9037 284.467 52.2898 -79.1167 257.32 296.923 PRESSAVG: 397800 19.4899 -5.74528 -33.2886 -5.74536 18.7653 5.7499 -33.2886 5.74989 -5.17709 GPRESSAVG: 397800 17.6935 -5.39652 -31.5629 -7.61706 20.2513 6.84144 -36.0621 6.64491 -4.85329 TIMING: 397800 CPU: 1318.69, 0.00317979/step Wall: 1318.69, 0.00317979/step, 4.065 hours remaining, 230.871094 MB of memory in use. ENERGY: 397800 4007.7349 20504.0724 14415.4931 232.1389 -203902.7781 2693.4303 0.0000 0.0000 52449.9848 -109599.9237 301.4308 -162049.9085 -109235.1639 299.4480 113.0568 140.7139 759233.4426 11.0260 11.0305 PRESSURE: 398000 -21.6421 -341.877 84.1228 -341.877 -116.582 -97.1528 84.1233 -97.1528 -451.611 GPRESSURE: 398000 -31.8541 -239.227 134.775 -242.268 -116.836 -109.022 -0.879304 -150.643 -348.762 PRESSAVG: 398000 17.681 -14.3469 9.72938 -14.347 -9.93933 58.3759 9.72938 58.3759 -15.5961 GPRESSAVG: 398000 18.0497 -15.8502 7.77772 -13.2596 -10.5839 55.8854 10.6939 58.4231 -15.4593 TIMING: 398000 CPU: 1319.32, 0.00316383/step Wall: 1319.32, 0.00316383/step, 4.04444 hours remaining, 230.871094 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: 398000 3982.4576 20624.6704 14320.2991 240.0692 -203047.0359 2291.7093 0.0000 0.0000 51784.5651 -109803.2652 297.6066 -161587.8303 -109436.4981 298.8600 -196.6115 -165.8175 762310.4128 -2.6181 -2.6645 PRESSURE: 398200 -441.271 104.787 35.7195 104.787 -629.126 -385.635 35.7192 -385.633 -433.024 GPRESSURE: 398200 -430.817 60.3113 -3.35709 138.756 -558.957 -316.173 34.4632 -354.146 -424.199 PRESSAVG: 398200 -7.77221 -16.137 1.04174 -16.1371 -10.5446 -9.44992 1.04175 -9.44997 -9.6191 GPRESSAVG: 398200 -5.9397 -15.7596 2.18648 -14.1804 -11.1944 -9.7178 0.533772 -6.67091 -10.719 TIMING: 398200 CPU: 1319.96, 0.00317242/step Wall: 1319.96, 0.00317242/step, 4.05524 hours remaining, 230.871094 MB of memory in use. ENERGY: 398200 4042.3774 20622.1024 14471.3467 248.0072 -203076.0407 2072.4718 0.0000 0.0000 52065.1194 -109554.6158 299.2190 -161619.7352 -109192.0628 299.4016 -501.1401 -471.3242 760928.0160 -9.3120 -9.2844 PRESSURE: 398400 440.394 9.36529 -129.78 9.36582 184.297 -50.2074 -129.78 -50.208 35.7981 GPRESSURE: 398400 418.227 -74.8823 -211.408 10.4769 193.941 -67.5098 34.1707 -19.653 120.677 PRESSAVG: 398400 37.4727 -2.90609 7.87448 -2.9061 22.0279 12.449 7.87446 12.449 -2.13064 GPRESSAVG: 398400 34.5668 -3.0702 7.56857 -4.18325 23.3065 13.782 8.88695 10.9896 -1.03335 TIMING: 398400 CPU: 1320.59, 0.00317209/step Wall: 1320.59, 0.00317209/step, 4.05464 hours remaining, 230.871094 MB of memory in use. ENERGY: 398400 3923.3997 20596.6602 14452.3404 228.1265 -203091.6089 2388.0674 0.0000 0.0000 52086.6079 -109416.4067 299.3425 -161503.0146 -109063.0618 299.3090 220.1631 244.2814 759152.2641 19.1233 18.9466 PRESSURE: 398600 -130.215 -171.945 -259.17 -171.945 -362.885 13.5076 -259.169 13.5072 -477.063 GPRESSURE: 398600 -160.421 -253.875 -235.636 -65.5662 -270.708 89.738 -159.558 10.1669 -472.986 PRESSAVG: 398600 -12.9292 -61.274 15.7948 -61.2741 16.1712 -6.06727 15.7949 -6.06731 1.5978 GPRESSAVG: 398600 -10.752 -61.9408 16.9183 -61.1966 14.0691 -7.27054 16.7584 -5.39445 1.67414 TIMING: 398600 CPU: 1321.22, 0.00315934/step Wall: 1321.22, 0.00315934/step, 4.03816 hours remaining, 230.871094 MB of memory in use. ENERGY: 398600 4031.3969 20538.3071 14539.8730 248.3639 -203295.6083 2218.8948 0.0000 0.0000 52149.2711 -109569.5016 299.7026 -161718.7727 -109201.5178 299.4158 -323.3875 -301.3717 760307.2871 1.6133 1.6637 PRESSURE: 398800 -137.875 -70.7489 23.0997 -70.7476 -95.1865 -81.8116 23.0997 -81.8126 97.8551 GPRESSURE: 398800 -150.25 -106.679 -3.63338 -80.6018 -149.455 -101.576 48.0265 -120.367 244.453 PRESSAVG: 398800 -40.8882 -16.7749 -23.8906 -16.7749 78.4115 -1.60204 -23.8906 -1.60213 -35.5939 GPRESSAVG: 398800 -41.1781 -15.543 -25.6485 -16.3315 79.6575 0.0107009 -24.6149 -2.44393 -36.3382 TIMING: 398800 CPU: 1321.86, 0.00316891/step Wall: 1321.86, 0.00316891/step, 4.05022 hours remaining, 230.871094 MB of memory in use. ENERGY: 398800 3950.0959 20425.7456 14479.5180 239.3677 -203406.7575 2477.1894 0.0000 0.0000 52040.3868 -109794.4542 299.0768 -161834.8410 -109415.2658 299.5169 -45.0688 -18.4171 760380.4935 0.6432 0.7137 PRESSURE: 399000 109.205 259.08 122.43 259.081 -225.03 69.6534 122.43 69.6537 -230.297 GPRESSURE: 399000 96.7185 271.15 71.2054 145.245 -142.533 -59.7585 137.798 147 -219.202 PRESSAVG: 399000 -46.2097 9.64218 -30.7951 9.64211 31.2554 49.2325 -30.795 49.2325 16.406 GPRESSAVG: 399000 -47.1009 8.22427 -29.1493 7.82151 31.6137 47.5461 -33.1361 51.9261 16.2545 TIMING: 399000 CPU: 1322.49, 0.00315634/step Wall: 1322.49, 0.00315634/step, 4.03397 hours remaining, 230.871094 MB of memory in use. ENERGY: 399000 3959.0005 20454.1501 14434.5969 243.2726 -203081.5891 2177.7885 0.0000 0.0000 51890.5111 -109922.2695 298.2155 -161812.7806 -109572.3093 298.7881 -115.3740 -88.3389 761201.3740 0.4839 0.2558 PRESSURE: 399200 -348.184 -51.8646 -150.093 -51.8647 54.4438 -48.9835 -150.092 -48.9841 269.85 GPRESSURE: 399200 -321.021 -16.6176 -128.481 -1.76486 130.047 11.5733 -78.1082 -16.6202 236.001 PRESSAVG: 399200 -50.7542 88.4923 -2.798 88.4923 59.9804 77.6634 -2.79796 77.6635 -5.38645 GPRESSAVG: 399200 -49.4441 90.1869 -2.73083 88.9404 58.6528 78.03 -1.0836 76.7024 -5.36073 TIMING: 399200 CPU: 1323.13, 0.00318889/step Wall: 1323.13, 0.00318889/step, 4.0754 hours remaining, 230.871094 MB of memory in use. ENERGY: 399200 3882.8504 20325.4314 14505.0596 242.9159 -203718.1386 2694.1663 0.0000 0.0000 52111.2855 -109956.4294 299.4843 -162067.7149 -109588.4783 298.5480 -7.9633 15.0091 760636.1344 1.2799 1.2827 PRESSURE: 399400 342.584 -135.504 97.732 -135.505 -254.07 63.9132 97.732 63.9134 120.309 GPRESSURE: 399400 336.351 27.858 52.5315 -161.52 -203.785 115.282 104.644 50.4118 149.257 PRESSAVG: 399400 -16.1654 -5.39236 -15.074 -5.39237 22.0464 -29.9067 -15.0741 -29.9067 14.9877 GPRESSAVG: 399400 -16.7059 -4.98257 -15.5819 -6.81472 22.5094 -29.8119 -13.7887 -29.7535 15.2104 TIMING: 399400 CPU: 1323.76, 0.00317843/step Wall: 1323.76, 0.00317843/step, 4.06185 hours remaining, 230.871094 MB of memory in use. ENERGY: 399400 3977.2985 20578.2443 14507.9420 245.7371 -203424.6073 2523.1186 0.0000 0.0000 51993.3261 -109598.9407 298.8064 -161592.2668 -109239.2566 299.2013 69.6079 93.9409 759787.4341 6.9562 7.0046 PRESSURE: 399600 -43.1576 -152.858 134.543 -152.858 114.983 -116.948 134.543 -116.947 395.228 GPRESSURE: 399600 31.2935 -197.16 70.9954 -223.744 119.947 -8.2669 159.075 -79.6298 404.468 PRESSAVG: 399600 -36.9706 -27.464 34.3852 -27.4641 -29.1236 -4.92412 34.3853 -4.92408 -7.09707 GPRESSAVG: 399600 -37.068 -29.6997 34.9748 -25.2543 -28.8057 -2.80557 32.8482 -6.12582 -7.10919 TIMING: 399600 CPU: 1324.39, 0.00315569/step Wall: 1324.39, 0.00315569/step, 4.03263 hours remaining, 230.871094 MB of memory in use. ENERGY: 399600 3922.8742 20790.2516 14476.1161 228.1016 -203707.8503 2844.0272 0.0000 0.0000 51859.6610 -109586.8186 298.0382 -161446.4796 -109227.3375 299.2629 155.6846 185.2360 762054.2392 -24.3971 -24.3277 PRESSURE: 399800 59.6926 42.2119 237.404 42.2124 190.379 32.2434 237.405 32.2438 214.222 GPRESSURE: 399800 87.9881 31.4257 145.904 21.6191 164.137 43.471 250.926 93.8319 310.206 PRESSAVG: 399800 -53.7713 -35.4025 29.5205 -35.4024 31.7509 -11.8447 29.5204 -11.8447 12.3543 GPRESSAVG: 399800 -54.3964 -35.787 28.5017 -34.1347 32.5902 -13.9922 26.6816 -11.0331 12.3635 TIMING: 399800 CPU: 1325.03, 0.00318566/step Wall: 1325.03, 0.00318566/step, 4.07074 hours remaining, 230.871094 MB of memory in use. ENERGY: 399800 3999.8155 20539.2354 14454.9117 249.6078 -203322.8984 2640.1643 0.0000 0.0000 51946.4547 -109492.7088 298.5370 -161439.1635 -109134.4659 299.1059 154.7647 187.4436 761045.9157 -3.2221 -3.1475 PRESSURE: 400000 369.599 -68.3958 60.0077 -68.3972 -20.1805 -81.4427 60.0073 -81.442 18.2682 GPRESSURE: 400000 345.414 72.3857 60.7398 -172.028 50.2098 -37.6712 62.7422 -160.414 44.6088 PRESSAVG: 400000 16.0645 -8.17754 28.4354 -8.17755 -5.21067 -18.7016 28.4354 -18.7015 13.9327 GPRESSAVG: 400000 16.136 -7.21638 30.0103 -9.38985 -5.26962 -17.6624 30.7239 -18.0551 14.0878 TIMING: 400000 CPU: 1325.67, 0.00319017/step Wall: 1325.67, 0.00319017/step, 4.07633 hours remaining, 230.871094 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: 400000 3917.2318 20594.3846 14480.6074 236.9666 -203785.9494 2726.5977 0.0000 0.0000 52288.6334 -109541.5279 300.5035 -161830.1612 -109176.5718 298.9778 122.5622 146.7443 760439.8864 8.2622 8.3181 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.011 seconds, 230.871 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.005 seconds, 230.871 MB of memory in use PRESSURE: 400200 233.766 -55.0121 -41.2775 -55.0118 -46.1525 108.301 -41.2779 108.301 -120.076 GPRESSURE: 400200 256.515 -76.707 -23.1575 0.414912 -101.523 73.9738 -16.5389 77.9094 -0.212028 PRESSAVG: 400200 1.1045 -84.4319 -4.0312 -84.4319 13.0673 27.06 -4.03127 27.06 15.3649 GPRESSAVG: 400200 2.47636 -85.3128 -5.48744 -84.8683 12.4842 25.4784 -2.97031 25.5195 14.8754 TIMING: 400200 CPU: 1326.32, 0.00323314/step Wall: 1326.32, 0.00323314/step, 4.13105 hours remaining, 230.871094 MB of memory in use. ENERGY: 400200 3919.9615 20474.7102 14534.5491 260.9486 -203520.4972 2691.6120 0.0000 0.0000 52057.7331 -109580.9827 299.1765 -161638.7157 -109219.7166 299.0224 22.5125 51.5933 761546.5429 9.8456 9.9453 LDB: ============= START OF LOAD BALANCING ============== 1338.74 LDB: ============== END OF LOAD BALANCING =============== 1338.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1338.74 LDB: ============= START OF LOAD BALANCING ============== 1339.05 LDB: Largest compute 7025 load 0.034330 is 17.6% of average load 0.195058 LDB: Average compute 0.004410 is 2.3% of average load 0.195058 LDB: TIME 1339.06 LOAD: AVG 0.195058 MAX 0.214248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.215 MB LDB: TIME 1339.06 LOAD: AVG 0.195058 MAX 0.214248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: TIME 1339.06 LOAD: AVG 0.195058 MAX 0.214248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: ============== END OF LOAD BALANCING =============== 1339.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1339.06 PRESSURE: 400400 -11.8814 -25.5894 42.1411 -25.5887 -135.216 120.398 42.1409 120.398 83.7568 GPRESSURE: 400400 42.6553 -101.825 194.382 -140.177 -97.6351 75.536 78.7408 113.443 73.5973 PRESSAVG: 400400 19.4529 -26.7328 50.7162 -26.7328 -36.7786 -1.44962 50.7162 -1.44969 -10.1308 GPRESSAVG: 400400 17.8021 -26.7136 51.6606 -25.6927 -36.1504 -0.502316 49.8758 -3.01451 -9.02073 TIMING: 400400 CPU: 1326.96, 0.00320874/step Wall: 1326.96, 0.00320874/step, 4.09971 hours remaining, 230.875000 MB of memory in use. ENERGY: 400400 4015.7559 20533.1157 14464.8702 250.3787 -203480.6091 2509.2573 0.0000 0.0000 52142.5151 -109564.7162 299.6638 -161707.2313 -109206.7894 299.1917 -21.1134 6.2058 760036.4236 -9.1522 -9.1230 PRESSURE: 400600 106.404 31.3796 -46.9748 31.38 -65.4773 104.503 -46.9743 104.503 232.249 GPRESSURE: 400600 115.44 87.8791 -84.8201 -6.22131 32.1466 146.092 -56.7792 60.7277 216.856 PRESSAVG: 400600 -14.8321 11.8292 48.3296 11.8292 -28.2255 -47.2434 48.3296 -47.2436 -0.443541 GPRESSAVG: 400600 -13.7882 12.9732 47.2476 11.2734 -28.2764 -48.3172 46.1385 -44.0015 -1.51154 TIMING: 400600 CPU: 1327.59, 0.00316182/step Wall: 1327.59, 0.00316182/step, 4.03958 hours remaining, 230.875000 MB of memory in use. ENERGY: 400600 3974.8714 20519.8562 14494.2771 230.5641 -203509.0893 2649.7507 0.0000 0.0000 52024.7096 -109615.0601 298.9867 -161639.7697 -109253.3994 299.1971 91.0585 121.4810 759251.0793 -14.5004 -14.5254 PRESSURE: 400800 102.786 -36.1505 3.17495 -36.1506 -168.87 -120.334 3.17512 -120.334 -47.6599 GPRESSURE: 400800 96.748 -8.33024 28.6689 -91.9694 -101.202 -134.863 -10.2893 -42.1863 -25.7553 PRESSAVG: 400800 3.24628 1.50926 -33.007 1.50922 -3.25712 -43.3943 -33.007 -43.3943 12.594 GPRESSAVG: 400800 1.72688 0.881131 -31.8623 1.65009 -2.30684 -41.1663 -31.6993 -44.7993 13.0477 TIMING: 400800 CPU: 1328.22, 0.00313735/step Wall: 1328.22, 0.00313735/step, 4.00814 hours remaining, 230.875000 MB of memory in use. ENERGY: 400800 3980.1992 20557.0512 14520.3214 231.5203 -203051.8989 2337.0607 0.0000 0.0000 51802.0240 -109623.7221 297.7069 -161425.7461 -109260.1605 299.1330 -37.9146 -10.0696 759573.9994 4.1944 4.1559 PRESSURE: 401000 -27.6389 -95.4603 -159.939 -95.4609 7.91267 155.171 -159.939 155.17 -381.557 GPRESSURE: 401000 6.15694 -28.2012 -133.308 -145.88 -46.9595 84.2373 -89.2925 108.96 -291.74 PRESSAVG: 401000 38.8203 -16.8574 -30.4191 -16.8573 -57.0003 -52.9655 -30.4191 -52.9654 -4.50528 GPRESSAVG: 401000 40.0466 -14.9942 -31.533 -17.5332 -57.6666 -54.2053 -30.0311 -52.3256 -4.90229 TIMING: 401000 CPU: 1328.84, 0.00313269/step Wall: 1328.84, 0.00313269/step, 4.00201 hours remaining, 230.875000 MB of memory in use. ENERGY: 401000 4014.1682 20548.9043 14524.9492 232.5709 -203136.4146 2166.6989 0.0000 0.0000 52032.5084 -109616.6145 299.0315 -161649.1229 -109242.2022 298.7728 -133.7611 -110.8475 760376.3752 -7.5618 -7.5074 PRESSURE: 401200 -411.134 55.3575 -11.3985 55.3564 -53.4093 36.5809 -11.399 36.5807 -368.818 GPRESSURE: 401200 -322.176 -22.3438 7.6009 87.3671 49.4977 -10.4787 7.95348 27.5011 -473.108 PRESSAVG: 401200 -29.7755 -59.5798 30.7574 -59.5798 24.2227 33.2898 30.7574 33.2897 -2.20503 GPRESSAVG: 401200 -30.2713 -61.7234 32.8804 -58.1828 24.5646 33.3303 30.7017 32.1621 -2.16976 TIMING: 401200 CPU: 1329.47, 0.00314592/step Wall: 1329.47, 0.00314592/step, 4.01874 hours remaining, 230.875000 MB of memory in use. ENERGY: 401200 3952.9136 20547.1446 14545.1979 232.4321 -203176.1542 2337.6841 0.0000 0.0000 52028.2114 -109532.5705 299.0068 -161560.7819 -109175.7807 299.2547 -277.7873 -248.5955 759672.4261 -2.5859 -2.6255 PRESSURE: 401400 -239.717 -31.4602 -160.372 -31.461 -138.504 78.6562 -160.371 78.6565 205.969 GPRESSURE: 401400 -216.932 -46.7334 -183 -112.775 -39.7344 32.4415 -90.1853 133.053 173.89 PRESSAVG: 401400 -7.97002 -32.6444 58.4277 -32.6444 -8.26826 13.3202 58.4277 13.3203 3.81272 GPRESSAVG: 401400 -7.90854 -33.9297 58.7933 -32.2452 -8.32774 12.2541 58.1384 16.3223 3.54452 TIMING: 401400 CPU: 1330.1, 0.00316132/step Wall: 1330.1, 0.00316132/step, 4.03824 hours remaining, 230.875000 MB of memory in use. ENERGY: 401400 4059.1624 20616.5535 14464.0713 257.4660 -203337.0271 2337.5561 0.0000 0.0000 52182.4253 -109419.7925 299.8931 -161602.2178 -109068.8192 299.3344 -57.4174 -27.5921 759678.7482 -4.1419 -4.2306 PRESSURE: 401600 294.878 109.988 85.7713 109.988 371.734 -189.009 85.7715 -189.009 291.445 GPRESSURE: 401600 351.928 38.9196 72.4986 77.6737 268.682 -128.603 98.1278 -173.3 422.912 PRESSAVG: 401600 20.376 -8.97348 11.0195 -8.97344 1.13403 -106.016 11.0195 -106.016 15.2027 GPRESSAVG: 401600 21.2023 -9.01836 8.86467 -9.80883 -0.935407 -104.861 12.1244 -105.488 16.4941 TIMING: 401600 CPU: 1330.73, 0.00314286/step Wall: 1330.73, 0.00314286/step, 4.01448 hours remaining, 230.875000 MB of memory in use. ENERGY: 401600 3956.3810 20605.4512 14447.5261 248.9735 -203459.2063 2756.7737 0.0000 0.0000 51985.6823 -109458.4185 298.7624 -161444.1008 -109107.1862 299.8092 319.3524 347.8407 759882.4903 12.2376 12.2537 PRESSURE: 401800 -135.919 46.8804 -67.4568 46.8799 -36.2709 65.6986 -67.4568 65.6979 -107.252 GPRESSURE: 401800 -27.7689 39.7791 53.8651 55.7987 -84.0068 88.7454 -87.4334 180.174 -82.4244 PRESSAVG: 401800 -58.9842 -41.2347 25.2098 -41.2347 77.1703 -21.4803 25.2097 -21.4802 -21.161 GPRESSAVG: 401800 -59.339 -40.647 26.9068 -43.3391 77.5493 -20.6152 23.7001 -23.2869 -21.7118 TIMING: 401800 CPU: 1331.37, 0.0031651/step Wall: 1331.37, 0.0031651/step, 4.04271 hours remaining, 230.875000 MB of memory in use. ENERGY: 401800 4025.8414 20459.2261 14429.3767 237.9670 -202958.1094 2244.0542 0.0000 0.0000 52389.0190 -109172.6249 301.0804 -161561.6439 -108811.2466 299.3569 -93.1473 -64.7334 760770.3591 -0.9916 -1.1672 PRESSURE: 402000 -706.424 110.325 228.923 110.326 -337.247 -37.6853 228.924 -37.6848 91.0301 GPRESSURE: 402000 -637.99 99.4677 290.462 182.009 -277.744 25.0858 216.503 -133.974 43.9001 PRESSAVG: 402000 -4.23406 11.4176 11.0788 11.4177 0.788768 -1.69375 11.0787 -1.69377 -4.93587 GPRESSAVG: 402000 -4.9989 12.6138 10.1116 13.7827 2.41669 -2.76334 11.897 -1.1529 -5.4074 TIMING: 402000 CPU: 1332, 0.00316048/step Wall: 1332, 0.00316048/step, 4.03664 hours remaining, 230.875000 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: 402000 4017.1874 20516.6863 14458.7812 240.8115 -202862.5640 2177.2326 0.0000 0.0000 52219.5966 -109232.2684 300.1067 -161451.8650 -108863.9144 299.7626 -317.5468 -290.6113 760569.0779 -2.7937 -2.6632 PRESSURE: 402200 158.305 -162.375 89.2522 -162.375 48.2755 -203.653 89.252 -203.652 254.04 GPRESSURE: 402200 182.716 -149.187 73.4966 -95.4487 98.3903 -189.458 105.456 -257.245 260.005 PRESSAVG: 402200 59.0253 -15.6265 39.1767 -15.6266 -65.1514 -23.5003 39.1767 -23.5003 12.1331 GPRESSAVG: 402200 60.7029 -15.3627 39.1519 -15.7963 -67.1005 -21.4242 39.2789 -26.5163 12.5494 TIMING: 402200 CPU: 1332.63, 0.00315158/step Wall: 1332.63, 0.00315158/step, 4.0251 hours remaining, 230.875000 MB of memory in use. ENERGY: 402200 3995.7321 20438.1250 14472.5565 245.6620 -202847.7691 2544.2615 0.0000 0.0000 51868.8585 -109282.5735 298.0910 -161151.4320 -108920.7102 299.2319 153.5401 180.3704 761613.6528 2.0023 2.0506 PRESSURE: 402400 -176.782 -4.87446 -145.728 -4.87435 -165.406 37.5991 -145.729 37.5986 187.782 GPRESSURE: 402400 -213.598 14.4639 -97.2112 57.4994 4.84819 50.6428 -88.7944 10.1124 135.042 PRESSAVG: 402400 -20.7735 -15.6224 -15.5961 -15.6225 -4.37168 -54.9652 -15.596 -54.9652 -10.4416 GPRESSAVG: 402400 -23.3208 -16.9782 -16.1225 -15.7294 -1.79832 -57.7712 -17.0573 -51.2748 -10.7258 TIMING: 402400 CPU: 1333.26, 0.00315398/step Wall: 1333.26, 0.00315398/step, 4.02798 hours remaining, 230.875000 MB of memory in use. ENERGY: 402400 3982.4419 20666.8484 14396.0744 241.6955 -203175.1251 2427.5447 0.0000 0.0000 52033.7937 -109426.7264 299.0389 -161460.5201 -109065.6966 299.3737 -51.4688 -24.5693 761884.9836 -11.8622 -11.9483 PRESSURE: 402600 -41.2093 60.9978 25.5586 60.9972 88.4066 112.387 25.5587 112.387 29.5084 GPRESSURE: 402600 -10.0535 78.3927 -40.0494 124.635 106.135 152.896 43.1675 132.259 54.1896 PRESSAVG: 402600 -7.85174 1.2925 -74.2736 1.29241 28.058 17.5408 -74.2736 17.5408 -12.0676 GPRESSAVG: 402600 -6.3999 1.39453 -73.756 1.64121 26.9562 18.9757 -73.0055 16.0975 -12.4561 TIMING: 402600 CPU: 1333.89, 0.00315629/step Wall: 1333.89, 0.00315629/step, 4.03076 hours remaining, 230.875000 MB of memory in use. ENERGY: 402600 4012.3169 20379.1795 14465.8277 246.2890 -203366.1865 2562.0181 0.0000 0.0000 52303.7706 -109396.7846 300.5905 -161700.5553 -109031.5873 299.2492 25.5686 50.0905 761661.3248 2.7129 2.7001 PRESSURE: 402800 61.1826 191.816 -108.219 191.816 -17.6667 154.015 -108.218 154.016 -132.981 GPRESSURE: 402800 52.6373 159.145 -92.7683 97.3131 70.1837 71.7685 -13.6214 199.832 -109.466 PRESSAVG: 402800 16.2149 0.524992 -27.8695 0.525005 -34.2441 -0.75907 -27.8695 -0.758995 13.8286 GPRESSAVG: 402800 16.2623 1.75074 -28.5189 -0.876407 -33.8686 -0.975849 -29.3702 -0.0793523 13.1975 TIMING: 402800 CPU: 1334.52, 0.0031465/step Wall: 1334.52, 0.0031465/step, 4.01809 hours remaining, 230.875000 MB of memory in use. ENERGY: 402800 3985.5495 20597.1824 14555.8940 221.7221 -203253.3755 2563.2187 0.0000 0.0000 52028.1777 -109301.6311 299.0067 -161329.8088 -108951.7995 299.4596 -29.8218 4.4517 760725.5657 -1.4002 -1.4696 PRESSURE: 403000 119.08 -88.1436 192.662 -88.1445 55.4151 208.52 192.661 208.521 341.89 GPRESSURE: 403000 100.906 -48.7661 178.162 -31.8933 82.2189 180.968 95.3502 194.993 420.091 PRESSAVG: 403000 33.9239 -83.3989 -13.8055 -83.3989 -13.3187 12.2833 -13.8056 12.2833 -2.0194 GPRESSAVG: 403000 33.7087 -83.8007 -13.3541 -82.2808 -14.8785 11.0082 -11.7965 13.2555 -0.305906 TIMING: 403000 CPU: 1335.15, 0.00315476/step Wall: 1335.15, 0.00315476/step, 4.02846 hours remaining, 230.875000 MB of memory in use. ENERGY: 403000 4035.6028 20404.2830 14484.6263 226.9739 -203346.6423 2763.8860 0.0000 0.0000 52021.3992 -109409.8710 298.9677 -161431.2702 -109044.4399 299.0770 172.1284 201.0719 759950.6712 6.1953 6.1748 PRESSURE: 403200 -308.586 -4.32753 -232.64 -4.32675 -433.035 6.61536 -232.639 6.61542 -54.5532 GPRESSURE: 403200 -237.713 83.8023 -165.342 52.5553 -425.096 -60.4014 -181.341 -45.8322 -67.4553 PRESSAVG: 403200 -0.954502 -54.4991 -11.4729 -54.4991 17.41 0.709927 -11.4729 0.709889 11.786 GPRESSAVG: 403200 -0.568488 -51.7305 -12.2948 -56.746 18.669 1.92782 -10.0269 -1.20757 10.049 TIMING: 403200 CPU: 1335.78, 0.00315732/step Wall: 1335.78, 0.00315732/step, 4.03154 hours remaining, 230.875000 MB of memory in use. ENERGY: 403200 4019.3382 20598.8665 14482.4039 286.3419 -203129.0450 2378.6647 0.0000 0.0000 52009.7083 -109353.7216 298.9005 -161363.4299 -108985.5750 299.9644 -265.3915 -243.4216 762162.5224 9.4138 9.3832 PRESSURE: 403400 17.8254 10.1897 -205.602 10.1894 -15.5478 -29.8459 -205.603 -29.8452 -25.875 GPRESSURE: 403400 65.4136 70.2366 -209.393 -36.1065 40.8393 -149.401 -275.494 14.4765 -65.6439 PRESSAVG: 403400 21.9195 -29.4726 -88.4246 -29.4726 -5.09149 -17.7174 -88.4246 -17.7174 14.1298 GPRESSAVG: 403400 21.7634 -33.4386 -89.3555 -27.3804 -5.37905 -18.5584 -90.0501 -16.3245 14.5146 TIMING: 403400 CPU: 1336.41, 0.00315461/step Wall: 1336.41, 0.00315461/step, 4.02791 hours remaining, 230.875000 MB of memory in use. ENERGY: 403400 4039.3532 20493.3684 14412.6189 246.7048 -203574.8642 2747.0518 0.0000 0.0000 52037.3627 -109598.4044 299.0594 -161635.7671 -109243.0080 299.3455 -7.8658 13.5363 762341.5886 10.3193 10.2997 PRESSURE: 403600 -305.493 -18.2482 159.589 -18.2479 -119.49 -122.666 159.589 -122.667 47.4868 GPRESSURE: 403600 -269.993 -16.6479 82.2883 -41.7902 -99.5956 -118.584 174.743 -69.2841 52.7683 PRESSAVG: 403600 -20.7899 -28.5723 -50.1901 -28.5723 45.3298 -23.3284 -50.19 -23.3285 -11.3113 GPRESSAVG: 403600 -21.7381 -26.104 -49.3833 -28.5073 46.3321 -24.902 -49.731 -21.6919 -11.2421 TIMING: 403600 CPU: 1337.04, 0.00313866/step Wall: 1337.04, 0.00313866/step, 4.00738 hours remaining, 230.875000 MB of memory in use. ENERGY: 403600 4020.9779 20573.2404 14477.5262 260.2513 -203290.1859 2547.7638 0.0000 0.0000 51785.6213 -109624.8050 297.6127 -161410.4263 -109262.0635 299.3206 -125.8321 -105.6067 762140.3250 4.4095 4.4506 PRESSURE: 403800 119.392 30.047 422.1 30.0467 60.7605 -38.179 422.1 -38.1796 -201.208 GPRESSURE: 403800 201.362 6.81 317.772 -54.7906 112.947 -102.184 420.661 -84.303 -231.974 PRESSAVG: 403800 51.3362 11.9149 -27.8133 11.9149 -18.8334 27.5216 -27.8133 27.5215 -1.08165 GPRESSAVG: 403800 52.9284 11.1557 -26.4591 11.5954 -20.0834 30.8925 -28.9678 25.0957 -0.656267 TIMING: 403800 CPU: 1337.67, 0.00316118/step Wall: 1337.67, 0.00316118/step, 4.03595 hours remaining, 230.875000 MB of memory in use. ENERGY: 403800 3927.3127 20535.6604 14411.2670 262.1519 -203143.5350 2477.4849 0.0000 0.0000 52012.6988 -109516.9594 298.9177 -161529.6581 -109167.7977 299.1200 -7.0185 27.4451 761010.7442 10.4737 10.7296 PRESSURE: 404000 8.31832 -200.616 92.4981 -200.616 212.355 44.9562 92.4986 44.955 181.04 GPRESSURE: 404000 81.4447 -132.262 88.5559 -113.704 226.345 -36.01 -14.0744 30.8785 179.822 PRESSAVG: 404000 -73.3905 -6.04565 12.7144 -6.04564 47.5497 -3.18813 12.7143 -3.18814 8.03848 GPRESSAVG: 404000 -73.1251 -8.2746 12.5625 -4.24766 48.0975 -4.17241 12.672 -3.91271 7.63796 TIMING: 404000 CPU: 1338.31, 0.00317553/step Wall: 1338.31, 0.00317553/step, 4.05409 hours remaining, 230.875000 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: 404000 3958.3045 20526.9145 14436.0055 234.2110 -203504.3187 2782.9276 0.0000 0.0000 52166.9299 -109399.0256 299.8041 -161565.9555 -109031.0490 299.4067 133.9046 162.5373 762096.5729 -5.9341 -5.7965 PRESSURE: 404200 280.249 106.418 44.3189 106.417 -130.109 67.8272 44.3193 67.8274 12.6356 GPRESSURE: 404200 336.697 276.138 91.8997 1.90482 -99.9599 102.737 65.8227 -47.0133 16.367 PRESSAVG: 404200 -79.3705 2.94074 16.9994 2.9408 69.5516 -15.4865 16.9995 -15.4865 -4.73812 GPRESSAVG: 404200 -79.8734 5.11629 17.291 2.50619 69.9971 -15.482 17.2189 -15.7167 -4.30826 TIMING: 404200 CPU: 1338.94, 0.00317839/step Wall: 1338.94, 0.00317839/step, 4.05757 hours remaining, 230.875000 MB of memory in use. ENERGY: 404200 3952.6494 20459.1832 14406.0704 244.4746 -203241.6811 2448.3961 0.0000 0.0000 52344.5165 -109386.3909 300.8247 -161730.9074 -109016.3759 299.6926 54.2584 84.3679 761591.5187 -4.8524 -4.7282 LDB: ============= START OF LOAD BALANCING ============== 1351.37 LDB: ============== END OF LOAD BALANCING =============== 1351.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1351.37 LDB: ============= START OF LOAD BALANCING ============== 1351.69 LDB: Largest compute 7034 load 0.035461 is 18.2% of average load 0.195109 LDB: Average compute 0.004418 is 2.3% of average load 0.195109 LDB: TIME 1351.69 LOAD: AVG 0.195109 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1351.69 LOAD: AVG 0.195109 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: TIME 1351.69 LOAD: AVG 0.195109 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: ============== END OF LOAD BALANCING =============== 1351.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1351.7 PRESSURE: 404400 -51.006 -102.299 97.1199 -102.3 -4.90239 -74.8338 97.1192 -74.8342 340.081 GPRESSURE: 404400 -34.322 -94.0216 92.0382 -235.942 38.4225 -168.594 71.1623 -86.4624 364.293 PRESSAVG: 404400 -6.62275 -25.4817 14.0871 -25.4817 41.3007 -51.7319 14.087 -51.7319 3.99932 GPRESSAVG: 404400 -7.63829 -25.5226 13.785 -26.9065 42.0934 -53.8591 13.2116 -49.6446 3.99113 TIMING: 404400 CPU: 1339.59, 0.00324635/step Wall: 1339.59, 0.00324635/step, 4.14414 hours remaining, 231.839844 MB of memory in use. ENERGY: 404400 4017.9919 20421.7736 14416.4634 239.5617 -202959.9841 2474.4356 0.0000 0.0000 52106.8177 -109282.9403 299.4586 -161389.7580 -108926.2414 299.3512 94.7243 122.7978 761372.3666 12.8924 12.8154 PRESSURE: 404600 192.11 121.532 -50.822 121.532 136.726 44.6148 -50.8224 44.6159 471.654 GPRESSURE: 404600 293.164 94.3387 -78.5108 0.580518 81.5086 35.8026 67.2925 -20.5406 510.722 PRESSAVG: 404600 6.35612 50.8488 43.0643 50.8488 2.71781 -17.1743 43.0643 -17.1744 10.5167 GPRESSAVG: 404600 7.29538 48.579 44.1741 49.8764 1.34324 -16.8711 44.6967 -17.2738 10.1719 TIMING: 404600 CPU: 1340.23, 0.00316899/step Wall: 1340.23, 0.00316899/step, 4.04522 hours remaining, 232.042969 MB of memory in use. ENERGY: 404600 4005.4129 20638.4655 14472.7039 250.3971 -203466.2514 2865.4923 0.0000 0.0000 52053.2926 -109180.4870 299.1510 -161233.7796 -108828.4183 299.2017 266.8298 295.1318 760526.5198 6.5302 6.2702 PRESSURE: 404800 -234.42 67.3683 60.617 67.3678 49.659 118.863 60.6174 118.863 118.381 GPRESSURE: 404800 -130.199 92.3212 42.8334 113.715 -30.6525 113.909 56.8777 153.635 159.142 PRESSAVG: 404800 -3.37806 -3.62659 37.5633 -3.62661 57.4668 -28.644 37.5633 -28.644 8.79968 GPRESSAVG: 404800 -4.43095 -2.43933 36.0914 -0.00989885 57.4889 -27.0149 36.6226 -28.4788 9.70538 TIMING: 404800 CPU: 1340.86, 0.00314267/step Wall: 1340.86, 0.00314267/step, 4.01144 hours remaining, 232.042969 MB of memory in use. ENERGY: 404800 4048.7900 20629.6576 14505.1604 237.6741 -202435.2056 2114.0135 0.0000 0.0000 51900.6274 -108999.2826 298.2736 -160899.9100 -108637.6896 299.7866 -22.1268 -0.5697 762726.9767 20.9628 20.9211 PRESSURE: 405000 -124.328 -159.913 -143.735 -159.913 153.103 -277.034 -143.734 -277.035 36.5479 GPRESSURE: 405000 -41.8801 -108.687 -119.886 -270.989 173.643 -268.486 -250.002 -57.1764 12.9427 PRESSAVG: 405000 6.19938 7.98988 -34.1607 7.9899 -19.6766 -33.6022 -34.1607 -33.6022 0.38762 GPRESSAVG: 405000 5.42316 8.73983 -34.0575 5.69544 -18.3481 -34.3007 -34.6882 -31.6318 -0.590018 TIMING: 405000 CPU: 1341.48, 0.00313655/step Wall: 1341.48, 0.00313655/step, 4.00346 hours remaining, 232.042969 MB of memory in use. ENERGY: 405000 4037.1317 20326.3618 14441.8940 246.6697 -202897.7313 2487.2933 0.0000 0.0000 52235.5669 -109122.8140 300.1985 -161358.3809 -108754.7505 299.8862 21.7743 48.2350 762300.9955 -4.3632 -4.5050 PRESSURE: 405200 -99.6543 32.9699 -63.1811 32.9706 -213.835 239.078 -63.1813 239.078 2.51354 GPRESSURE: 405200 23.8026 -5.72053 -108.726 43.6543 -276.955 215.457 -26.6852 135.243 43.2365 PRESSAVG: 405200 8.04962 -25.0543 -27.656 -25.0543 -5.94943 5.81932 -27.656 5.81931 11.0844 GPRESSAVG: 405200 8.90714 -22.2831 -28.0653 -26.2489 -6.19832 5.0103 -27.5363 4.50925 10.2818 TIMING: 405200 CPU: 1342.12, 0.00317088/step Wall: 1342.12, 0.00317088/step, 4.0471 hours remaining, 232.042969 MB of memory in use. ENERGY: 405200 4038.3652 20518.6408 14513.4854 264.2065 -203086.2552 2393.9253 0.0000 0.0000 52138.0120 -109219.6200 299.6379 -161357.6320 -108862.6981 299.8535 -103.6587 -69.9719 762762.4927 4.3949 4.3302 PRESSURE: 405400 -189.149 -63.0535 107.216 -63.0535 -76.3115 1.27836 107.217 1.27844 -258.98 GPRESSURE: 405400 -202.667 -20.1647 63.2747 32.5398 -22.1576 -69.0081 26.0461 -102.038 -211.1 PRESSAVG: 405400 -12.2095 -95.5327 -16.5562 -95.5326 -21.2119 29.44 -16.5562 29.44 2.06306 GPRESSAVG: 405400 -12.1202 -100.301 -15.926 -93.4943 -21.3046 30.3721 -16.2442 28.1449 2.12274 TIMING: 405400 CPU: 1342.75, 0.00317067/step Wall: 1342.75, 0.00317067/step, 4.04666 hours remaining, 232.042969 MB of memory in use. ENERGY: 405400 3999.5493 20470.9657 14387.9370 249.6562 -203148.0680 2535.8804 0.0000 0.0000 52069.8294 -109434.2502 299.2460 -161504.0796 -109065.9179 299.3263 -174.8134 -145.3082 763825.8496 -10.4528 -10.4340 PRESSURE: 405600 -346.876 51.2462 60.5569 51.246 -286.801 -316.305 60.557 -316.305 -371.151 GPRESSURE: 405600 -384.095 -15.8452 53.9456 -6.77323 -266.858 -321.786 139.87 -158.523 -283.232 PRESSAVG: 405600 8.37552 -45.2446 29.5297 -45.2445 -28.9629 0.257847 29.5297 0.25781 -23.761 GPRESSAVG: 405600 9.21778 -43.2373 29.3456 -46.1144 -29.847 0.503305 32.387 0.486027 -23.7005 TIMING: 405600 CPU: 1343.38, 0.0031524/step Wall: 1343.38, 0.0031524/step, 4.02316 hours remaining, 232.042969 MB of memory in use. ENERGY: 405600 4025.5568 20486.2163 14551.8521 264.4348 -202855.5143 2131.7749 0.0000 0.0000 51873.3341 -109522.3453 298.1168 -161395.6794 -109168.4693 298.5039 -334.9428 -311.3949 763963.3424 -14.7828 -14.7766 PRESSURE: 405800 184.516 -136.113 -36.636 -136.112 -153.858 307.443 -36.6362 307.441 303.307 GPRESSURE: 405800 207.676 -178.507 9.04293 -49.3732 -83.6875 149.717 154.972 225.8 305.601 PRESSAVG: 405800 56.02 -85.8881 2.54852 -85.888 -35.4782 -16.6658 2.54856 -16.6658 25.3207 GPRESSAVG: 405800 54.9927 -85.7377 3.74361 -87.0278 -35.2627 -18.0499 0.154309 -16.747 26.5951 TIMING: 405800 CPU: 1344.01, 0.00316069/step Wall: 1344.01, 0.00316069/step, 4.03357 hours remaining, 232.042969 MB of memory in use. ENERGY: 405800 3981.8745 20411.1052 14508.1773 252.6019 -203440.0446 2600.9823 0.0000 0.0000 52146.8047 -109538.4987 299.6884 -161685.3034 -109179.5699 299.1656 111.3219 143.1966 760159.4957 15.2875 15.4417 PRESSURE: 406000 57.4226 58.1874 230.006 58.1881 -9.48319 33.5534 230.006 33.5536 -333.896 GPRESSURE: 406000 25.2997 58.9364 247.022 -31.7612 103.851 23.5062 105.644 61.7157 -331.359 PRESSAVG: 406000 19.4451 -8.42728 24.6806 -8.42727 -19.8667 1.78267 24.6806 1.78276 7.52577 GPRESSAVG: 406000 19.2098 -8.29179 24.8145 -7.68262 -19.309 3.94092 23.3541 2.79211 7.08917 TIMING: 406000 CPU: 1344.64, 0.00315004/step Wall: 1344.64, 0.00315004/step, 4.0198 hours remaining, 232.042969 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: 406000 3983.6675 20518.6579 14464.3572 242.3421 -203231.8188 2519.5100 0.0000 0.0000 52200.0797 -109303.2044 299.9946 -161503.2841 -108951.5550 299.5336 -95.3188 -67.4026 760740.6638 2.3681 2.3300 PRESSURE: 406200 -190.911 -79.8041 -36.487 -79.8039 -38.4076 9.06243 -36.4861 9.0622 -178.881 GPRESSURE: 406200 -108.567 -38.0846 42.02 -120.228 -130.664 -18.7231 46.6412 -0.802563 -94.0548 PRESSAVG: 406200 -9.7167 -22.0961 20.946 -22.096 4.22317 10.7481 20.946 10.7481 -22.958 GPRESSAVG: 406200 -10.3436 -22.6329 19.1672 -21.7874 5.05073 9.84886 23.595 12.0847 -23.5567 TIMING: 406200 CPU: 1345.28, 0.00315813/step Wall: 1345.28, 0.00315813/step, 4.02994 hours remaining, 232.042969 MB of memory in use. ENERGY: 406200 3963.8593 20462.9534 14481.6676 247.1911 -203023.6568 2321.3026 0.0000 0.0000 52030.6344 -109516.0485 299.0208 -161546.6828 -109153.4157 299.3117 -136.0667 -111.0954 759540.7348 -9.4838 -9.6165 PRESSURE: 406400 -26.337 -112.722 -73.4294 -112.722 69.2727 -32.2453 -73.4298 -32.2445 87.8573 GPRESSURE: 406400 117.447 -164.076 -88.6067 -83.9739 24.6607 -7.66268 -211.371 -15.8737 87.5506 PRESSAVG: 406400 -17.207 -68.4772 0.114078 -68.4773 49.7257 41.2316 0.114089 41.2317 5.56792 GPRESSAVG: 406400 -15.8137 -67.3371 0.658146 -69.6981 47.4472 41.4903 -1.65434 40.8146 6.09816 TIMING: 406400 CPU: 1345.91, 0.00314971/step Wall: 1345.91, 0.00314971/step, 4.01904 hours remaining, 232.042969 MB of memory in use. ENERGY: 406400 3930.5191 20351.9600 14444.4208 252.1379 -203292.9578 2551.8325 0.0000 0.0000 51960.7718 -109801.3158 298.6193 -161762.0876 -109440.6684 298.8106 43.5977 76.5529 760751.1436 12.6955 12.5772 PRESSURE: 406600 113.947 210.603 4.51909 210.603 -188.507 -348.941 4.51899 -348.94 320.41 GPRESSURE: 406600 61.9373 129.499 87.2649 285.524 -119.555 -381.904 -33.7906 -370.5 364.644 PRESSAVG: 406600 -43.6785 -27.0575 -13.6871 -27.0575 47.8978 -35.1614 -13.6871 -35.1614 18.847 GPRESSAVG: 406600 -45.3509 -29.7333 -13.4144 -25.9902 50.2549 -35.0523 -11.5397 -35.3348 18.1606 TIMING: 406600 CPU: 1346.53, 0.0031345/step Wall: 1346.53, 0.0031345/step, 3.99945 hours remaining, 232.042969 MB of memory in use. ENERGY: 406600 3996.7227 20201.1251 14420.7622 248.3124 -203151.3573 2441.3598 0.0000 0.0000 51960.8636 -109882.2115 298.6198 -161843.0751 -109523.5705 298.3987 81.9501 102.3421 761341.8866 7.6888 7.6882 PRESSURE: 406800 445.255 -111.837 -320.948 -111.837 -108.056 -222.081 -320.947 -222.083 -201.191 GPRESSURE: 406800 490.714 -152.777 -351.805 -11.8485 -57.5646 -152.659 -233.965 -75.9445 -213.567 PRESSAVG: 406800 -43.8434 -50.6373 -77.9478 -50.6373 87.9734 -24.5978 -77.9478 -24.5977 5.40699 GPRESSAVG: 406800 -41.3462 -48.6341 -77.8341 -51.5235 85.687 -23.704 -79.175 -26.7411 5.67042 TIMING: 406800 CPU: 1347.16, 0.00315199/step Wall: 1347.16, 0.00315199/step, 4.02159 hours remaining, 232.042969 MB of memory in use. ENERGY: 406800 3918.4830 20508.7013 14376.1488 241.9721 -203557.5972 2585.8268 0.0000 0.0000 52161.2879 -109765.1773 299.7716 -161926.4652 -109410.9537 298.5363 45.3357 73.1941 759267.6661 16.5123 16.6704 PRESSURE: 407000 -207.152 -246.119 94.729 -246.121 -136.259 -31.4803 94.729 -31.4799 344.691 GPRESSURE: 407000 -136.655 -190.278 61.45 -131.63 -62.1307 -110.171 149.682 59.3441 273.361 PRESSAVG: 407000 -51.2914 -60.5915 -20.3008 -60.5915 12.7676 -21.0306 -20.3008 -21.0306 12.9627 GPRESSAVG: 407000 -52.4034 -60.2842 -20.9551 -59.2449 14.2585 -22.481 -20.9699 -19.117 12.8474 TIMING: 407000 CPU: 1347.8, 0.0031654/step Wall: 1347.8, 0.00316539/step, 4.03852 hours remaining, 232.042969 MB of memory in use. ENERGY: 407000 3997.9389 20547.2395 14369.2693 253.6917 -203500.3531 2472.0459 0.0000 0.0000 52083.3788 -109776.7890 299.3239 -161860.1678 -109422.9361 299.0066 0.4267 24.8587 759771.0479 -8.5203 -8.4325 PRESSURE: 407200 190.07 -73.5351 -167.537 -73.5362 -16.6414 -111.405 -167.537 -111.404 167.603 GPRESSURE: 407200 179.856 -34.2175 -103.668 -134.055 44.8849 -87.5401 -259.845 -42.5193 189.867 PRESSAVG: 407200 1.64637 -19.9595 2.03986 -19.9595 -3.82921 -58.2176 2.03987 -58.2176 6.97044 GPRESSAVG: 407200 0.0164216 -18.1602 2.94486 -21.8332 -3.93844 -56.0506 2.28343 -60.607 9.16618 TIMING: 407200 CPU: 1348.43, 0.00317365/step Wall: 1348.43, 0.00317365/step, 4.04887 hours remaining, 232.042969 MB of memory in use. ENERGY: 407200 4072.5773 20418.6552 14419.8520 214.7840 -203614.5402 2648.2970 0.0000 0.0000 52115.8161 -109724.5585 299.5103 -161840.3747 -109356.1686 299.1384 113.6770 138.2028 759311.4443 1.5959 1.7481 PRESSURE: 407400 58.1586 -7.31787 -113.676 -7.3182 395.424 175.393 -113.676 175.393 371.252 GPRESSURE: 407400 26.4994 35.6861 -171.593 -0.0425749 497.365 185.088 -85.6212 206.174 383.611 PRESSAVG: 407400 -38.0582 -27.7888 -43.4648 -27.7887 47.8274 -65.7309 -43.4648 -65.7311 -1.21993 GPRESSAVG: 407400 -35.2853 -29.6662 -42.1658 -27.0018 47.5716 -67.8911 -43.4681 -63.824 -3.21317 TIMING: 407400 CPU: 1349.06, 0.00314957/step Wall: 1349.06, 0.00314957/step, 4.01797 hours remaining, 232.042969 MB of memory in use. ENERGY: 407400 3930.4559 20430.5067 14459.1311 253.5824 -203302.2809 2648.0312 0.0000 0.0000 51733.4700 -109847.1037 297.3130 -161580.5736 -109489.0258 298.8505 274.9451 302.4918 760615.5435 2.8498 3.0244 PRESSURE: 407600 92.3827 -280.976 -186.105 -280.976 299.538 -78.6563 -186.105 -78.6575 -249.247 GPRESSURE: 407600 111.802 -275.905 -346.602 -305.1 299.854 -114.2 -14.5709 -47.2615 -176.417 PRESSAVG: 407600 -47.521 -37.4564 -64.8148 -37.4563 65.6347 -45.8757 -64.8148 -45.8758 18.4748 GPRESSAVG: 407600 -48.5423 -36.7686 -66.8795 -36.5126 66.14 -43.685 -63.9607 -46.1796 19.2015 TIMING: 407600 CPU: 1349.69, 0.00314918/step Wall: 1349.69, 0.00314918/step, 4.01731 hours remaining, 232.042969 MB of memory in use. ENERGY: 407600 4006.9338 20609.6768 14386.5408 240.1695 -203774.9496 2822.6999 0.0000 0.0000 52057.0601 -109651.8687 299.1726 -161708.9287 -109292.7622 298.9190 47.5579 78.4131 760357.7674 12.1962 12.2664 PRESSURE: 407800 268.753 -27.8594 217.294 -27.859 52.6089 24.4447 217.293 24.4447 206.55 GPRESSURE: 407800 323.348 -54.0672 286.044 9.96809 17.9797 -23.6374 168.121 34.7543 276.173 PRESSAVG: 407800 -38.4819 -46.361 -30.1858 -46.361 56.6427 -30.5917 -30.1858 -30.5917 -7.17777 GPRESSAVG: 407800 -37.6592 -45.1703 -28.8309 -46.5531 55.8733 -32.2911 -31.7806 -30.0861 -7.50781 TIMING: 407800 CPU: 1350.32, 0.00315768/step Wall: 1350.32, 0.00315768/step, 4.02797 hours remaining, 232.042969 MB of memory in use. ENERGY: 407800 3985.7430 20571.1064 14432.0123 241.1658 -203486.8078 2743.4815 0.0000 0.0000 52041.0521 -109472.2467 299.0806 -161513.2988 -109109.7196 299.4117 175.9709 205.8335 760061.3640 3.6610 3.5688 PRESSURE: 408000 7.14605 276.804 -71.6349 276.804 54.536 -211.385 -71.6347 -211.385 -163.72 GPRESSURE: 408000 16.8633 243.832 -15.9987 228.716 141.045 -258.79 -38.6847 -149.986 -188.172 PRESSAVG: 408000 4.26912 -16.1544 -27.6566 -16.1544 -8.40768 15.3796 -27.6566 15.3796 -4.73361 GPRESSAVG: 408000 3.11723 -17.8044 -27.4759 -17.9426 -8.42227 14.1926 -28.0823 17.1213 -3.47157 TIMING: 408000 CPU: 1350.95, 0.00314727/step Wall: 1350.95, 0.00314727/step, 4.01452 hours remaining, 232.042969 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: 408000 4017.5756 20498.0814 14365.5599 230.0964 -203527.9404 2729.0060 0.0000 0.0000 52149.4133 -109538.2078 299.7034 -161687.6211 -109167.0630 299.4416 -34.0128 -10.0879 761712.5682 -2.9574 -2.9255 PRESSURE: 408200 122.035 -50.0852 -84.9411 -50.0854 144.465 -109.55 -84.9407 -109.55 32.9788 GPRESSURE: 408200 184.844 -37.6143 -64.8272 -16.8708 195.964 -48.1026 -18.4607 -272.359 12.7161 PRESSAVG: 408200 -30.9585 13.0854 5.84889 13.0853 -14.0012 -47.3258 5.84888 -47.3258 -3.67617 GPRESSAVG: 408200 -30.591 12.5962 4.35246 16.0759 -12.9711 -47.4463 7.98971 -48.9826 -4.96885 TIMING: 408200 CPU: 1351.58, 0.00313867/step Wall: 1351.58, 0.00313867/step, 4.00337 hours remaining, 232.042969 MB of memory in use. ENERGY: 408200 3926.1254 20471.4095 14446.6471 222.0782 -203093.2644 2456.1822 0.0000 0.0000 52082.0327 -109488.7893 299.3162 -161570.8220 -109132.9184 298.7196 99.8262 131.1746 759900.0319 -16.2119 -16.1770 LDB: ============= START OF LOAD BALANCING ============== 1364 LDB: ============== END OF LOAD BALANCING =============== 1364 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1364 LDB: ============= START OF LOAD BALANCING ============== 1364.32 LDB: Largest compute 7049 load 0.033452 is 17.1% of average load 0.195151 LDB: Average compute 0.004385 is 2.2% of average load 0.195151 LDB: TIME 1364.32 LOAD: AVG 0.195151 MAX 0.214533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 1364.32 LOAD: AVG 0.195151 MAX 0.214533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.266 MB LDB: TIME 1364.32 LOAD: AVG 0.195151 MAX 0.214533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.266 MB LDB: ============== END OF LOAD BALANCING =============== 1364.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1364.33 PRESSURE: 408400 -84.0572 -31.97 -128.296 -31.9695 -499.243 -88.5616 -128.296 -88.5617 153.241 GPRESSURE: 408400 1.57847 28.6929 -82.4314 9.16932 -430.822 -74.7509 -131.313 -26.8367 98.0954 PRESSAVG: 408400 -2.40578 17.1193 5.49551 17.1193 3.10253 -42.6258 5.49555 -42.6257 3.35525 GPRESSAVG: 408400 -0.930524 18.2832 7.44608 15.6265 2.57503 -41.9096 1.9559 -41.807 2.19216 TIMING: 408400 CPU: 1352.22, 0.00320523/step Wall: 1352.22, 0.00320523/step, 4.08809 hours remaining, 230.875000 MB of memory in use. ENERGY: 408400 3988.1714 20491.7285 14420.6416 230.6359 -203104.4304 2363.7155 0.0000 0.0000 52118.8342 -109490.7033 299.5277 -161609.5375 -109135.4221 298.9879 -143.3529 -110.3826 760154.2983 1.3507 1.2789 PRESSURE: 408600 487.951 -126.509 144.417 -126.508 146.245 -121.285 144.417 -121.285 26.9211 GPRESSURE: 408600 489.398 -18.9486 179.631 -202.023 147.059 -55.9961 111.633 -145.477 113.971 PRESSAVG: 408600 40.5309 52.3298 12.6963 52.3298 -28.5954 -26.6405 12.6963 -26.6405 -0.914527 GPRESSAVG: 408600 38.7672 52.208 11.7496 52.6624 -28.101 -24.9509 16.8147 -26.9551 0.138883 TIMING: 408600 CPU: 1352.86, 0.00318123/step Wall: 1352.86, 0.00318123/step, 4.05731 hours remaining, 230.875000 MB of memory in use. ENERGY: 408600 3960.6424 20461.3610 14422.7305 239.0978 -203322.1544 2520.6946 0.0000 0.0000 52102.2567 -109615.3715 299.4324 -161717.6282 -109251.3726 298.7020 220.3724 250.1426 760589.0728 3.6737 3.6017 PRESSURE: 408800 -21.2457 -5.18598 34.5299 -5.18613 160.034 -37.9311 34.5298 -37.9308 -119.005 GPRESSURE: 408800 24.9235 -107.475 -114.064 128.19 151.75 88.1312 -61.0657 -97.3024 -98.3396 PRESSAVG: 408800 -38.3761 -25.457 48.4257 -25.457 32.402 -55.3815 48.4257 -55.3816 15.3008 GPRESSAVG: 408800 -38.0863 -26.46 47.2476 -25.8168 32.1478 -55.2946 45.8494 -55.4516 15.4564 TIMING: 408800 CPU: 1353.49, 0.00318016/step Wall: 1353.49, 0.00318016/step, 4.05577 hours remaining, 230.875000 MB of memory in use. ENERGY: 408800 4012.5455 20585.3784 14357.1436 238.2523 -203268.3379 2454.2255 0.0000 0.0000 52229.5203 -109391.2723 300.1638 -161620.7926 -109044.3608 298.8858 6.5944 26.1114 760009.2337 3.1089 3.1726 PRESSURE: 409000 -296.668 -162.997 3.1859 -162.997 -236.301 -104.638 3.18482 -104.637 229.586 GPRESSURE: 409000 -150.045 -170.683 -27.331 -92.385 -261.698 -19.6671 86.408 -10.3536 188.433 PRESSAVG: 409000 -27.3049 -37.9948 35.9179 -37.9947 8.32352 26.607 35.9179 26.6071 23.9307 GPRESSAVG: 409000 -25.821 -37.0446 36.2891 -37.6751 8.2407 25.1502 36.8834 26.8674 22.72 TIMING: 409000 CPU: 1354.12, 0.00313591/step Wall: 1354.12, 0.00313591/step, 3.99915 hours remaining, 230.875000 MB of memory in use. ENERGY: 409000 3962.2284 20673.2222 14399.0845 245.3870 -203091.8430 2544.2250 0.0000 0.0000 51880.4629 -109387.2331 298.1577 -161267.6960 -109033.5990 299.6456 -101.1278 -74.4368 763562.5158 1.6498 1.7132 PRESSURE: 409200 -210.329 -56.6835 -69.3944 -56.6833 -106.527 -77.4313 -69.3948 -77.4321 -113.169 GPRESSURE: 409200 -185.512 -64.9001 -49.5078 2.36475 -34.7364 -101.33 70.5124 -49.1322 -123.473 PRESSAVG: 409200 15.9711 0.44816 16.3224 0.448086 -8.39463 -31.1508 16.3223 -31.1509 -8.69369 GPRESSAVG: 409200 15.741 -0.947527 17.1893 1.83173 -9.06925 -29.9376 18.4841 -30.7033 -7.05142 TIMING: 409200 CPU: 1354.75, 0.00316036/step Wall: 1354.75, 0.00316036/step, 4.03016 hours remaining, 230.875000 MB of memory in use. ENERGY: 409200 3914.4506 20619.2339 14470.0899 249.2796 -202967.9935 2177.8154 0.0000 0.0000 51961.3559 -109575.7682 298.6226 -161537.1241 -109220.5293 299.4821 -143.3418 -114.5737 763085.5537 -0.3724 -0.1265 PRESSURE: 409400 173.007 -43.0323 227.921 -43.0319 124.074 -147.194 227.921 -147.194 144.438 GPRESSURE: 409400 131.898 -35.3096 203.385 -14.5702 204.057 -155.837 262.16 -101.766 195.16 PRESSAVG: 409400 6.61048 9.82054 34.7297 9.82061 47.2916 -28.9907 34.7296 -28.9907 18.2712 GPRESSAVG: 409400 5.87533 9.76194 34.3223 6.87704 48.1539 -29.6151 33.4512 -29.4125 18.6727 TIMING: 409400 CPU: 1355.39, 0.00320467/step Wall: 1355.39, 0.00320467/step, 4.08649 hours remaining, 230.875000 MB of memory in use. ENERGY: 409400 3959.9441 20394.2609 14453.5839 250.4463 -203614.2794 2824.3617 0.0000 0.0000 51938.1718 -109793.5107 298.4894 -161731.6824 -109422.1170 299.0407 147.1731 177.0385 760747.3091 24.0578 24.2340 PRESSURE: 409600 144.98 108.187 -116.567 108.187 -179.362 -163.007 -116.566 -163.007 -66.2128 GPRESSURE: 409600 158.105 51.3325 -140.351 117.262 -109.199 -135.388 -51.1738 -119.005 -75.0265 PRESSAVG: 409600 6.25581 -14.9884 -2.27094 -14.9884 -5.43978 -3.80027 -2.2709 -3.80027 -10.9547 GPRESSAVG: 409600 7.893 -13.5596 -3.04691 -13.329 -5.88493 -3.75146 -2.23593 -3.82608 -12.2467 TIMING: 409600 CPU: 1356.03, 0.00316276/step Wall: 1356.03, 0.00316276/step, 4.03288 hours remaining, 230.875000 MB of memory in use. ENERGY: 409600 3958.5573 20553.9461 14437.1668 270.0690 -203017.3068 2284.8595 0.0000 0.0000 51859.9981 -109652.7099 298.0401 -161512.7081 -109295.9342 298.6752 -33.5317 -8.7070 761857.2608 -3.3796 -3.4129 PRESSURE: 409800 93.9247 30.2449 6.66775 30.2452 50.4475 -34.3182 6.66792 -34.3195 206.345 GPRESSURE: 409800 137.009 -92.0879 -5.45942 -28.8559 64.2369 -86.2612 -123.788 -106.14 221.08 PRESSAVG: 409800 -4.39165 -36.8469 -17.8491 -36.8468 22.5961 -9.24819 -17.849 -9.24817 -0.124619 GPRESSAVG: 409800 -6.89052 -36.1588 -18.0679 -37.8235 23.8077 -10.3405 -17.3049 -9.89763 1.25347 TIMING: 409800 CPU: 1356.66, 0.00316439/step Wall: 1356.66, 0.00316439/step, 4.03477 hours remaining, 230.875000 MB of memory in use. ENERGY: 409800 4013.1224 20459.9980 14499.7493 257.0091 -203368.1336 2514.8503 0.0000 0.0000 51991.1442 -109632.2603 298.7938 -161623.4045 -109266.0867 298.8111 116.9058 140.7754 759249.0130 6.0266 6.0569 PRESSURE: 410000 47.3703 42.1042 28.0017 42.1037 -179.911 85.8562 28.0016 85.8578 -116.2 GPRESSURE: 410000 140.96 113.425 -8.1888 -43.7976 -129.652 97.5647 -11.4078 37.528 -153.206 PRESSAVG: 410000 -37.7279 -41.7736 -12.724 -41.7736 -4.47986 2.23005 -12.724 2.23006 -4.70388 GPRESSAVG: 410000 -35.8945 -42.2378 -11.8727 -41.3737 -5.35692 3.20098 -14.0607 0.790897 -5.86781 TIMING: 410000 CPU: 1357.29, 0.00317845/step Wall: 1357.29, 0.00317845/step, 4.05252 hours remaining, 230.875000 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: 410000 4035.6093 20316.9090 14516.8285 247.0383 -202936.1318 2275.6480 0.0000 0.0000 51909.9976 -109634.1011 298.3275 -161544.0987 -109266.2125 298.8150 -82.9135 -47.2995 760854.0030 -15.6372 -15.7064 PRESSURE: 410200 -403.342 -295.76 -165.291 -295.76 -337.468 -30.6733 -165.291 -30.6738 -213.937 GPRESSURE: 410200 -387.081 -369.178 -99.4122 -173.126 -236.247 -36.2754 -148.055 111.855 -219.441 PRESSAVG: 410200 -3.41592 -24.4004 -22.1691 -24.4004 6.13535 54.2532 -22.1691 54.2533 5.67104 GPRESSAVG: 410200 -3.16812 -26.7466 -22.6229 -24.6463 6.15733 55.5063 -19.7978 56.5003 4.93253 TIMING: 410200 CPU: 1357.93, 0.00318637/step Wall: 1357.93, 0.00318637/step, 4.06244 hours remaining, 230.875000 MB of memory in use. ENERGY: 410200 3985.9437 20446.2822 14428.8770 245.9222 -203134.1854 2167.5643 0.0000 0.0000 52298.1974 -109561.3985 300.5585 -161859.5960 -109198.8594 299.0697 -318.2488 -280.9229 761195.1142 2.7968 2.6406 PRESSURE: 410400 21.6754 146.223 -55.3258 146.224 265.229 25.6857 -55.3263 25.6854 -23.1014 GPRESSURE: 410400 49.6849 145.024 -49.009 227.538 258.025 -4.8422 -20.7608 63.3227 43.9711 PRESSAVG: 410400 -31.841 -35.5265 -17.3389 -35.5265 26.0113 -11.8006 -17.3389 -11.8007 1.54754 GPRESSAVG: 410400 -34.0098 -33.0698 -16.1169 -34.2221 26.2779 -12.8567 -19.26 -10.605 2.42629 TIMING: 410400 CPU: 1358.56, 0.00315814/step Wall: 1358.56, 0.00315814/step, 4.02628 hours remaining, 230.875000 MB of memory in use. ENERGY: 410400 3954.8477 20579.1877 14474.2604 252.9684 -203626.9636 2529.9069 0.0000 0.0000 51914.3574 -109921.4350 298.3525 -161835.7924 -109556.0304 298.6394 87.9345 117.2270 760598.7806 -1.4274 -1.7685 PRESSURE: 410600 26.8618 -36.0935 -136.32 -36.0929 359.738 101.448 -136.319 101.446 207.215 GPRESSURE: 410600 78.2694 -28.6941 -97.7743 -83.6155 347.332 4.7342 -226.115 73.7353 271.222 PRESSAVG: 410600 32.8485 28.5272 -30.5706 28.5271 36.0422 -8.51169 -30.5706 -8.5116 9.24114 GPRESSAVG: 410600 33.8833 29.0384 -33.4446 27.6524 34.8179 -7.52982 -28.1032 -9.53041 9.10392 TIMING: 410600 CPU: 1359.2, 0.00317787/step Wall: 1359.2, 0.00317787/step, 4.05126 hours remaining, 230.875000 MB of memory in use. ENERGY: 410600 3875.7400 20225.4141 14398.5173 226.2037 -203236.7672 2838.5435 0.0000 0.0000 51704.0480 -109968.3005 297.1439 -161672.3485 -109611.0798 297.9501 197.9383 232.2744 760648.9990 26.0440 25.9350 PRESSURE: 410800 163.105 -174.749 -201.608 -174.749 -313.453 105.973 -201.608 105.973 -261.814 GPRESSURE: 410800 135.122 -115.951 -222.542 -58.7433 -115.13 46.1235 -199.687 -33.6892 -318.488 PRESSAVG: 410800 -111.806 55.7581 -47.2957 55.7582 55.9622 43.2 -47.2958 43.2 7.12463 GPRESSAVG: 410800 -113.037 55.4759 -45.1299 56.3474 57.2365 41.2875 -50.3679 43.9212 7.0896 TIMING: 410800 CPU: 1359.83, 0.00317408/step Wall: 1359.83, 0.00317408/step, 4.04625 hours remaining, 230.875000 MB of memory in use. ENERGY: 410800 3926.9508 20335.7248 14416.3736 275.2752 -203421.8586 2747.5933 0.0000 0.0000 51773.8169 -109946.1240 297.5448 -161719.9409 -109584.1189 297.9443 -137.3870 -99.4985 761184.6792 -16.2396 -16.2370 PRESSURE: 411000 244.245 5.13441 -137.526 5.13446 60.6639 -32.5771 -137.525 -32.5765 174.183 GPRESSURE: 411000 275.77 16.3151 -215.031 3.34635 127.453 24.9118 118.098 -61.106 178.397 PRESSAVG: 411000 7.86074 17.6516 -42.8172 17.6517 16.623 5.48627 -42.8172 5.48626 -20.5306 GPRESSAVG: 411000 8.26102 16.6455 -43.7642 17.958 16.2894 6.47661 -41.4036 5.43247 -20.2327 TIMING: 411000 CPU: 1360.46, 0.00315563/step Wall: 1360.46, 0.00315563/step, 4.02255 hours remaining, 230.875000 MB of memory in use. ENERGY: 411000 3923.3944 20453.6200 14472.0508 240.7035 -203440.0712 2694.5455 0.0000 0.0000 52017.9861 -109637.7708 298.9481 -161655.7569 -109278.6758 298.3772 159.6974 193.8733 759675.9976 1.3177 1.4392 PRESSURE: 411200 408.726 -143.9 244.849 -143.899 -47.6783 -191.864 244.849 -191.864 13.287 GPRESSURE: 411200 414.72 -54.663 249.701 -53.181 20.0655 -173.219 238.793 -92.8941 19.0873 PRESSAVG: 411200 1.76693 14.4592 -0.995537 14.4591 2.36263 -3.77745 -0.995492 -3.77744 12.3958 GPRESSAVG: 411200 2.73226 16.656 -0.488389 13.6882 2.27965 -4.53443 -2.52008 -2.76085 11.3638 TIMING: 411200 CPU: 1361.09, 0.0031423/step Wall: 1361.09, 0.0031423/step, 4.00538 hours remaining, 230.875000 MB of memory in use. ENERGY: 411200 3927.3531 20564.9634 14494.6449 235.0196 -203397.5592 2693.9175 0.0000 0.0000 51862.9062 -109618.7546 298.0568 -161481.6608 -109259.0718 298.7707 124.7782 151.2910 762218.4189 5.5085 5.4586 PRESSURE: 411400 -317.56 27.4678 239.02 27.4683 127.781 -169.157 239.021 -169.159 44.2131 GPRESSURE: 411400 -343.261 -96.8966 206.561 79.9511 150.931 -100.308 204.738 -150.338 135.786 PRESSAVG: 411400 -45.7762 39.1344 -16.8171 39.1344 41.5317 35.8868 -16.8171 35.8868 -13.394 GPRESSAVG: 411400 -46.746 36.7453 -18.0461 40.2068 41.24 39.4087 -15.7059 33.7854 -11.8438 TIMING: 411400 CPU: 1361.73, 0.003172/step Wall: 1361.73, 0.003172/step, 4.04307 hours remaining, 230.875000 MB of memory in use. ENERGY: 411400 4044.5799 20402.7105 14519.6316 248.3932 -203474.4447 2605.2482 0.0000 0.0000 52214.9486 -109438.9327 300.0800 -161653.8813 -109078.3056 299.6035 -48.5219 -18.8479 759992.4825 -5.8795 -5.7832 PRESSURE: 411600 476.738 -59.4538 -133.272 -59.4544 189.305 93.2183 -133.273 93.2193 295.691 GPRESSURE: 411600 532.723 -50.8339 -174.212 43.7206 263.275 52.96 -56.6066 25.2138 260.452 PRESSAVG: 411600 0.996179 -43.3514 -36.196 -43.3515 -9.90316 -39.2847 -36.196 -39.2847 22.0547 GPRESSAVG: 411600 0.952668 -42.8906 -35.702 -42.6763 -8.18162 -43.2203 -34.9698 -38.4117 20.6264 TIMING: 411600 CPU: 1362.36, 0.00316441/step Wall: 1362.36, 0.00316441/step, 4.03322 hours remaining, 230.875000 MB of memory in use. ENERGY: 411600 3977.5528 20542.2446 14453.2794 241.0121 -203181.4212 2614.1600 0.0000 0.0000 51809.7727 -109543.3998 297.7515 -161353.1724 -109186.6833 299.0797 320.5780 352.1500 759999.4123 4.3826 4.4658 PRESSURE: 411800 -116.692 -137.84 -132.7 -137.839 83.1467 -313.148 -132.7 -313.148 126.6 GPRESSURE: 411800 -18.2021 -52.9179 -151.687 -211.117 76.0078 -331.401 -142.023 -224.523 119.437 PRESSAVG: 411800 44.4855 16.2898 5.48978 16.2898 -7.19891 -25.1113 5.48977 -25.1112 -17.472 GPRESSAVG: 411800 45.1298 17.6224 5.67981 14.9895 -7.85544 -22.4516 4.79294 -25.8402 -17.2175 TIMING: 411800 CPU: 1362.99, 0.00314474/step Wall: 1362.99, 0.00314474/step, 4.00797 hours remaining, 230.875000 MB of memory in use. ENERGY: 411800 3899.5907 20491.2653 14505.6802 254.2191 -203180.7491 2353.7946 0.0000 0.0000 52085.5115 -109590.6876 299.3362 -161676.1991 -109223.8667 299.2267 31.0181 59.0809 760755.8644 6.6049 6.6856 PRESSURE: 412000 -65.695 118.011 105.938 118.011 99.7767 87.2392 105.938 87.2399 -15.7104 GPRESSURE: 412000 -92.0763 47.2073 11.7962 55.4667 110.453 41.1582 20.1313 80.1159 85.1151 PRESSAVG: 412000 -50.06 -10.094 19.7295 -10.0941 95.2641 22.2383 19.7295 22.2383 1.00433 GPRESSAVG: 412000 -50.6613 -9.90497 19.6128 -10.3287 94.5853 19.6474 17.3943 24.4043 1.70406 TIMING: 412000 CPU: 1363.62, 0.0031326/step Wall: 1363.62, 0.0031326/step, 3.99232 hours remaining, 230.875000 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: 412000 3946.6359 20394.9035 14463.4246 247.7736 -203682.1729 2901.4203 0.0000 0.0000 51967.3933 -109760.6217 298.6573 -161728.0150 -109399.2010 299.2984 6.1238 34.4974 761982.7318 15.4028 15.2093 PRESSURE: 412200 -10.766 -34.5264 -156.603 -34.5259 4.7051 286.286 -156.604 286.286 89.873 GPRESSURE: 412200 15.4046 -59.1616 -126.099 -9.76633 43.1264 275.949 -201.623 204.047 112.208 PRESSAVG: 412200 -48.8495 6.91254 19.2667 6.9125 49.5507 34.2815 19.2668 34.2815 -21.5418 GPRESSAVG: 412200 -48.6594 4.61893 19.1093 6.29256 48.1935 34.6734 18.2718 30.9811 -19.7974 TIMING: 412200 CPU: 1364.24, 0.00313161/step Wall: 1364.24, 0.00313161/step, 3.99089 hours remaining, 230.875000 MB of memory in use. ENERGY: 412200 3940.0360 20370.8378 14429.6859 247.6023 -203404.4845 2693.8175 0.0000 0.0000 52021.9932 -109700.5119 298.9711 -161722.5051 -109345.0717 298.9312 27.9374 56.9130 762130.1546 -6.9469 -6.7544 LDB: ============= START OF LOAD BALANCING ============== 1376.66 LDB: ============== END OF LOAD BALANCING =============== 1376.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1376.66 LDB: ============= START OF LOAD BALANCING ============== 1376.98 LDB: Largest compute 7025 load 0.034046 is 17.5% of average load 0.195083 LDB: Average compute 0.004395 is 2.3% of average load 0.195083 LDB: TIME 1376.98 LOAD: AVG 0.195083 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.023 MB LDB: TIME 1376.98 LOAD: AVG 0.195083 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.227 MB LDB: TIME 1376.98 LOAD: AVG 0.195083 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.227 MB LDB: ============== END OF LOAD BALANCING =============== 1376.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1376.99 PRESSURE: 412400 -16.636 68.6204 -11.8849 68.6197 166.724 68.9013 -11.8851 68.9014 220.817 GPRESSURE: 412400 19.9753 149.37 -5.57408 102.685 264.26 43.648 76.3409 29.6409 194.153 PRESSAVG: 412400 -33.8239 3.23608 -7.91294 3.23608 63.5319 13.3204 -7.91296 13.3204 0.643955 GPRESSAVG: 412400 -34.0582 6.58775 -7.63227 5.24848 66.1743 14.6249 -5.88151 13.0085 -1.15532 TIMING: 412400 CPU: 1364.88, 0.00321222/step Wall: 1364.88, 0.00321221/step, 4.09343 hours remaining, 230.925781 MB of memory in use. ENERGY: 412400 3941.4887 20410.5408 14515.5779 234.7025 -203741.7557 2986.1497 0.0000 0.0000 52057.5421 -109595.7542 299.1754 -161653.2963 -109229.1765 298.7415 123.6348 159.4628 760958.2997 10.1173 10.3202 PRESSURE: 412600 286.557 -122.233 -269.053 -122.233 -153.636 37.1955 -269.053 37.1963 -58.7913 GPRESSURE: 412600 299.487 -74.0452 -268.375 -75.9813 -82.2163 148.737 -212.198 22.3093 -54.9533 PRESSAVG: 412600 14.4028 -28.9615 29.5469 -28.9616 -33.3232 -22.1737 29.5469 -22.1737 3.13105 GPRESSAVG: 412600 16.416 -29.6928 29.7637 -28.608 -33.8596 -21.8623 29.0071 -20.0699 2.41969 TIMING: 412600 CPU: 1365.51, 0.00314798/step Wall: 1365.51, 0.00314799/step, 4.01141 hours remaining, 230.925781 MB of memory in use. ENERGY: 412600 4031.6785 20299.9553 14430.1171 251.0947 -203266.8236 2761.9974 0.0000 0.0000 51852.0386 -109639.9420 297.9944 -161491.9806 -109293.0077 298.7274 24.7098 54.1059 760974.6549 -5.2631 -5.0080 PRESSURE: 412800 -66.8022 -138.869 86.5838 -138.868 -230.723 -17.7123 86.5841 -17.7127 -60.0285 GPRESSURE: 412800 -74.4851 -244.469 46.0062 -144.144 -229.699 17.6711 -9.79892 -80.2812 32.2433 PRESSAVG: 412800 9.98529 -6.82401 -51.9899 -6.82399 -21.2878 65.7595 -51.9899 65.7594 -13.4275 GPRESSAVG: 412800 9.43563 -8.84106 -52.5341 -7.38599 -21.9924 65.1672 -53.5238 61.7191 -12.131 TIMING: 412800 CPU: 1366.14, 0.00315245/step Wall: 1366.14, 0.00315245/step, 4.01693 hours remaining, 231.183594 MB of memory in use. ENERGY: 412800 4045.8396 20404.5466 14466.0683 243.4471 -202899.1894 2193.2472 0.0000 0.0000 51986.3785 -109559.6620 298.7664 -161546.0405 -109191.7538 299.0573 -119.1845 -90.6471 760509.4892 -8.2433 -8.2292 PRESSURE: 413000 -212.311 11.8842 -235.387 11.8845 -40.8061 10.6398 -235.387 10.6388 73.5735 GPRESSURE: 413000 -187.475 -1.93349 -175.567 -40.8643 -3.84397 8.04463 -176.356 23.8946 104.239 PRESSAVG: 413000 32.3592 -51.3158 -20.1865 -51.3159 1.23528 20.6869 -20.1865 20.6869 10.1349 GPRESSAVG: 413000 32.1102 -52.3783 -20.5384 -51.6198 2.1143 20.8277 -18.0583 24.8671 9.77401 TIMING: 413000 CPU: 1366.77, 0.00315319/step Wall: 1366.77, 0.00315319/step, 4.01769 hours remaining, 231.183594 MB of memory in use. ENERGY: 413000 4010.2364 20401.8883 14319.7310 239.7421 -203310.3685 2427.3420 0.0000 0.0000 52158.1911 -109753.2376 299.7538 -161911.4287 -109399.9039 298.5944 -59.8479 -29.0266 759762.8353 14.5764 14.6662 PRESSURE: 413200 275.043 93.4585 -32.5125 93.4594 354.042 -51.1349 -32.512 -51.1374 305.439 GPRESSURE: 413200 337.676 108.353 19.5929 63.8023 340.896 -94.1017 -72.7308 -151.351 335.75 PRESSAVG: 413200 20.6736 -24.4689 33.9655 -24.4689 -46.9003 -8.12019 33.9655 -8.12022 13.3015 GPRESSAVG: 413200 20.6417 -23.4205 36.0865 -24.983 -46.5742 -8.08124 34.2522 -10.3644 12.6508 TIMING: 413200 CPU: 1367.41, 0.00317723/step Wall: 1367.41, 0.00317723/step, 4.04814 hours remaining, 231.183594 MB of memory in use. ENERGY: 413200 3900.9116 20279.1672 14423.1579 245.6220 -203671.8137 3073.2359 0.0000 0.0000 52068.0112 -109681.7080 299.2356 -161749.7192 -109318.4729 298.6644 311.5077 338.1072 759543.0145 -4.3084 -4.4272 PRESSURE: 413400 -107.051 -66.3321 -187.638 -66.3325 -189.239 202.626 -187.639 202.625 -154.903 GPRESSURE: 413400 -72.3728 -6.73069 -82.8919 -93.2047 -188.971 189.575 -4.36864 100.411 -120.436 PRESSAVG: 413400 4.91167 -24.266 -0.125582 -24.266 3.96265 25.3342 -0.125591 25.3342 12.2905 GPRESSAVG: 413400 5.1372 -24.7322 -1.00977 -24.1548 3.28126 26.119 -0.525976 26.3433 12.2322 TIMING: 413400 CPU: 1368.04, 0.00313317/step Wall: 1368.04, 0.00313317/step, 3.99183 hours remaining, 231.183594 MB of memory in use. ENERGY: 413400 3953.0462 20460.6479 14421.9266 270.3726 -203393.1692 2698.5888 0.0000 0.0000 51891.2393 -109697.3479 298.2197 -161588.5872 -109327.1814 298.6070 -150.3977 -127.2600 761989.5300 7.0549 6.8836 PRESSURE: 413600 49.7104 -96.8588 254.951 -96.8584 -238.605 258.573 254.952 258.573 277.398 GPRESSURE: 413600 90.1017 -184.103 94.0093 -105.417 -221.851 239.095 283.653 173.286 304.84 PRESSAVG: 413600 -21.8123 -10.7199 -21.1255 -10.7199 -16.6474 61.4102 -21.1255 61.4103 1.40055 GPRESSAVG: 413600 -24.1957 -9.76228 -22.4598 -10.3113 -16.4442 61.28 -20.969 59.3132 2.72731 TIMING: 413600 CPU: 1368.66, 0.00313344/step Wall: 1368.66, 0.00313344/step, 3.992 hours remaining, 231.183594 MB of memory in use. ENERGY: 413600 4019.9882 20471.3870 14400.7752 247.7955 -203392.1369 2535.3285 0.0000 0.0000 51995.4057 -109721.4568 298.8183 -161716.8625 -109363.2457 298.8892 29.5014 57.6966 760778.0832 -12.3531 -12.6375 PRESSURE: 413800 41.3002 -68.4015 21.1003 -68.4007 22.5229 -38.7899 21.1002 -38.7892 154.769 GPRESSURE: 413800 39.1865 -45.323 -52.6958 -173.012 55.4841 -121.764 -87.8435 -18.2062 215.62 PRESSAVG: 413800 -19.046 50.5082 6.90025 50.5083 -9.08736 44.8489 6.90024 44.8489 7.05158 GPRESSAVG: 413800 -18.1518 51.9787 8.69983 48.1447 -8.1969 46.1879 5.27322 45.2427 5.97816 TIMING: 413800 CPU: 1369.29, 0.00315548/step Wall: 1369.29, 0.00315548/step, 4.01991 hours remaining, 231.183594 MB of memory in use. ENERGY: 413800 3990.4939 20316.5571 14427.6992 240.3021 -203587.2555 2816.0247 0.0000 0.0000 52322.5410 -109473.6376 300.6984 -161796.1786 -109113.2065 299.2940 72.8641 103.4303 761023.5367 -7.0273 -6.7902 PRESSURE: 414000 197.269 134.824 125.712 134.824 -212.569 -15.6981 125.712 -15.6987 -73.3327 GPRESSURE: 414000 199.415 292.522 105.545 185.707 -133.102 12.3047 82.1378 15.6457 -89.4096 PRESSAVG: 414000 40.6035 29.3956 26.7917 29.3955 0.549169 50.8206 26.7916 50.8205 -4.25914 GPRESSAVG: 414000 40.3903 27.7317 25.5423 30.7675 -0.945683 48.0307 29.0166 53.4937 -2.83846 TIMING: 414000 CPU: 1369.93, 0.00316343/step Wall: 1369.93, 0.00316343/step, 4.02986 hours remaining, 231.183594 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: 414000 4006.9798 20504.0249 14475.8929 267.4043 -203261.7328 2513.4758 0.0000 0.0000 52276.9963 -109216.9588 300.4366 -161493.9551 -108856.3887 299.4278 -29.5443 -7.6991 760546.1942 12.2979 12.2020 PRESSURE: 414200 -181.022 2.97557 66.3887 2.97548 -78.3275 66.3812 66.3894 66.3804 69.1342 GPRESSURE: 414200 -181.144 64.0793 93.5783 -39.3256 -45.492 82.1177 216.186 118.967 125.684 PRESSAVG: 414200 36.2986 -11.9272 -39.7812 -11.9273 -33.3404 12.8592 -39.7812 12.8592 8.37486 GPRESSAVG: 414200 37.1818 -9.08603 -38.0583 -14.6507 -34.5273 15.8478 -40.2871 10.6289 8.77349 TIMING: 414200 CPU: 1370.56, 0.00318511/step Wall: 1370.56, 0.00318511/step, 4.0573 hours remaining, 231.183594 MB of memory in use. ENERGY: 414200 3897.0166 20511.8417 14493.8180 248.9399 -202996.4095 2444.8808 0.0000 0.0000 52175.6339 -109224.2787 299.8541 -161399.9126 -108862.6858 299.7791 -63.4050 -33.6506 760601.6423 3.7777 3.8093 PRESSURE: 414400 105.593 -181.908 -61.1603 -181.908 -195.544 206.809 -61.1614 206.808 -194.974 GPRESSURE: 414400 115.418 -100.955 -123.336 -118.568 -153.331 139.684 -8.39011 166.153 -165.178 PRESSAVG: 414400 65.6642 24.1695 -4.57029 24.1695 -31.7927 23.1665 -4.5703 23.1666 36.7951 GPRESSAVG: 414400 64.719 23.1531 -5.73912 26.0393 -29.7276 22.1862 -6.20315 22.9658 35.5204 TIMING: 414400 CPU: 1371.19, 0.00315285/step Wall: 1371.19, 0.00315285/step, 4.01603 hours remaining, 231.183594 MB of memory in use. ENERGY: 414400 4094.7699 20502.2758 14509.9833 255.2066 -203187.8127 2533.6513 0.0000 0.0000 52120.7644 -109171.1614 299.5387 -161291.9258 -108808.1590 299.7952 -94.9748 -67.6971 760808.3887 23.5555 23.5040 PRESSURE: 414600 -664.364 -116.286 24.2381 -116.286 -339.519 -47.1895 24.2393 -47.1896 -365.836 GPRESSURE: 414600 -629.085 51.7623 146.934 -262.072 -319.158 -48.5404 -104.53 -14.3776 -340.421 PRESSAVG: 414600 0.786791 -61.9084 14.3788 -61.9085 39.6203 -1.90308 14.3788 -1.90314 3.64496 GPRESSAVG: 414600 0.618068 -62.4742 14.9151 -62.4635 38.6438 -2.13354 15.2072 -1.11974 4.36352 TIMING: 414600 CPU: 1371.83, 0.00315835/step Wall: 1371.83, 0.00315835/step, 4.02286 hours remaining, 231.183594 MB of memory in use. ENERGY: 414600 4150.4112 20621.9907 14454.7729 246.5590 -202451.8759 2019.3191 0.0000 0.0000 52071.5284 -108887.2946 299.2558 -160958.8230 -108527.6072 300.2095 -456.5732 -429.5545 761564.0035 14.6840 14.5418 PRESSURE: 414800 -236.539 -10.0232 -0.244803 -10.023 -213.442 -143.982 -0.24491 -143.982 31.1818 GPRESSURE: 414800 -193.638 149.675 36.6834 -47.1588 -236.989 -133.419 116.954 -131.754 101.371 PRESSAVG: 414800 2.76433 16.8621 -7.25825 16.8621 9.72856 -35.2229 -7.25827 -35.2228 -4.87359 GPRESSAVG: 414800 3.57336 17.0627 -7.34649 17.9669 9.37283 -34.5817 -6.2742 -34.9795 -5.15387 TIMING: 414800 CPU: 1372.46, 0.0031881/step Wall: 1372.46, 0.0031881/step, 4.06058 hours remaining, 231.183594 MB of memory in use. ENERGY: 414800 4039.2617 20495.5075 14425.7541 243.5067 -203100.4555 2663.1977 0.0000 0.0000 52592.2226 -108641.0051 302.2482 -161233.2277 -108283.8628 300.6928 -139.5995 -109.7518 763047.9667 2.5398 2.5974 PRESSURE: 415000 44.6084 -113.593 -53.1507 -113.592 209.407 -262.61 -53.1521 -262.611 342.742 GPRESSURE: 415000 132.866 -67.7646 -141.824 -14.3556 123.066 -268.523 -58.4185 -228.059 413.951 PRESSAVG: 415000 -44.9027 -9.44241 -25.4266 -9.44245 15.8286 -41.4585 -25.4266 -41.4586 14.0516 GPRESSAVG: 415000 -45.8162 -10.765 -25.8061 -7.02611 15.0013 -42.6569 -25.3758 -42.2837 14.913 TIMING: 415000 CPU: 1373.1, 0.00319175/step Wall: 1373.1, 0.00319175/step, 4.06505 hours remaining, 231.183594 MB of memory in use. ENERGY: 415000 4043.2240 20668.8014 14520.1805 247.2071 -203429.8075 2653.2302 0.0000 0.0000 52531.7299 -108765.4343 301.9006 -161297.1643 -108412.5574 301.3717 198.9191 223.2943 761067.7074 -5.0075 -5.3006 PRESSURE: 415200 160.356 -186.205 67.5192 -186.205 -55.5796 -50.8723 67.5184 -50.8715 -86.8593 GPRESSURE: 415200 226.223 4.61372 127.428 -239.515 -62.4383 -55.0696 -4.01631 -154.003 -23.5255 PRESSAVG: 415200 52.5181 54.37 -16.1922 54.37 -27.1188 -63.683 -16.1923 -63.6831 8.82078 GPRESSAVG: 415200 51.5704 54.929 -17.7615 51.1128 -25.5616 -64.3201 -16.7924 -62.4954 7.83882 TIMING: 415200 CPU: 1373.74, 0.00317072/step Wall: 1373.74, 0.00317072/step, 4.03809 hours remaining, 231.183594 MB of memory in use. ENERGY: 415200 3960.6525 20656.6902 14505.1626 255.4289 -203370.1269 2467.9226 0.0000 0.0000 52361.8792 -109162.3909 300.9244 -161524.2701 -108803.3998 300.9132 5.9723 46.7532 760721.6840 11.4067 11.2826 PRESSURE: 415400 -123.958 76.9529 -274.289 76.9529 -81.2094 -148.666 -274.288 -148.665 -142.304 GPRESSURE: 415400 -33.7783 170.884 -176.855 89.9579 -64.7366 -46.729 -124.359 -169.523 -153.634 PRESSAVG: 415400 11.3767 10.3775 -27.9275 10.3775 26.131 -27.4748 -27.9275 -27.4748 0.404401 GPRESSAVG: 415400 12.1184 11.9522 -27.2747 10.8836 25.646 -24.8042 -28.2691 -28.9861 0.103748 TIMING: 415400 CPU: 1374.36, 0.00314023/step Wall: 1374.36, 0.00314023/step, 3.99908 hours remaining, 231.183594 MB of memory in use. ENERGY: 415400 4025.9605 20531.4377 14493.3693 242.3130 -202980.7319 2259.1592 0.0000 0.0000 52184.7363 -109243.7560 299.9064 -161428.4923 -108870.8244 300.2166 -115.8238 -84.0498 762986.7584 12.6373 12.6227 PRESSURE: 415600 129.658 -117.278 147.574 -117.278 -118.04 199.408 147.574 199.408 342.536 GPRESSURE: 415600 122.929 -61.2706 120.714 -18.5264 -96.7753 214.479 83.8594 128.797 415.176 PRESSAVG: 415600 -12.3281 26.4695 27.9622 26.4696 8.52913 -33.1362 27.9623 -33.1362 14.3325 GPRESSAVG: 415600 -12.7534 23.9888 28.5995 28.6087 8.79729 -34.1986 27.5953 -32.2489 14.1823 TIMING: 415600 CPU: 1375, 0.00315391/step Wall: 1375, 0.00315391/step, 4.01633 hours remaining, 231.183594 MB of memory in use. ENERGY: 415600 3949.5004 20698.7195 14456.3287 229.8849 -203311.5661 2609.9576 0.0000 0.0000 52118.9946 -109248.1805 299.5286 -161367.1751 -108891.2873 299.8014 118.0512 147.1098 760962.5385 3.5112 3.4088 PRESSURE: 415800 -80.4515 15.8406 -5.87062 15.8405 120.112 -77.2104 -5.87075 -77.2101 420.1 GPRESSURE: 415800 17.0888 -40.0199 -34.446 23.5723 146.94 -121.169 3.56317 -106.332 382.279 PRESSAVG: 415800 -2.82055 13.261 3.37383 13.261 24.3739 51.6327 3.3738 51.6327 1.74892 GPRESSAVG: 415800 -2.145 12.1069 2.35136 12.8365 24.2848 51.3162 4.55252 50.7493 1.36482 TIMING: 415800 CPU: 1375.62, 0.00313746/step Wall: 1375.62, 0.00313746/step, 3.99521 hours remaining, 231.183594 MB of memory in use. ENERGY: 415800 3925.6103 20687.2816 14391.2793 240.6187 -203284.8769 2537.9465 0.0000 0.0000 52002.1004 -109500.0401 298.8568 -161502.1405 -109130.0458 299.3089 153.2536 182.1027 761022.5412 7.7674 7.8349 PRESSURE: 416000 15.0589 149.324 101.532 149.323 503.262 59.3728 101.533 59.3734 388.241 GPRESSURE: 416000 81.95 116.43 118.934 50.5548 577.86 103.595 -90.512 73.4147 324.85 PRESSAVG: 416000 -31.9642 -31.992 17.701 -31.9921 21.0164 -33.935 17.701 -33.9352 -23.7612 GPRESSAVG: 416000 -31.222 -31.6623 18.0244 -33.1046 20.9594 -32.4181 17.1455 -35.7907 -24.0112 TIMING: 416000 CPU: 1376.26, 0.00316253/step Wall: 1376.26, 0.00316253/step, 4.02695 hours remaining, 231.183594 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: 416000 3921.5394 20782.7035 14404.4079 224.9022 -203803.2007 2745.2356 0.0000 0.0000 52208.3601 -109516.0520 300.0422 -161724.4121 -109149.8394 299.3851 302.1875 328.2200 758941.3462 -11.5697 -11.4246 PRESSURE: 416200 77.0902 -101.546 88.8037 -101.546 325.696 25.4182 88.8048 25.4178 233.585 GPRESSURE: 416200 193.731 28.7065 47.0214 -123.521 201.168 -2.74773 50.1659 50.5112 320.079 PRESSAVG: 416200 28.7447 -32.4115 5.19446 -32.4115 15.8041 9.15755 5.19454 9.15752 -21.3979 GPRESSAVG: 416200 28.6505 -31.4463 5.8462 -31.7468 14.4677 8.08288 4.51516 13.5617 -19.7805 TIMING: 416200 CPU: 1376.89, 0.00315223/step Wall: 1376.89, 0.00315223/step, 4.01367 hours remaining, 231.183594 MB of memory in use. ENERGY: 416200 4001.1086 20572.9085 14447.4631 224.5058 -203610.6326 2651.0400 0.0000 0.0000 52118.0251 -109595.5814 299.5230 -161713.6065 -109231.4862 299.5017 212.1238 238.3259 759146.0894 7.7169 7.7792 LDB: ============= START OF LOAD BALANCING ============== 1389.31 LDB: ============== END OF LOAD BALANCING =============== 1389.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1389.31 LDB: ============= START OF LOAD BALANCING ============== 1389.62 LDB: Largest compute 7025 load 0.033654 is 17.2% of average load 0.195126 LDB: Average compute 0.004418 is 2.3% of average load 0.195126 LDB: TIME 1389.63 LOAD: AVG 0.195126 MAX 0.218006 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 1389.63 LOAD: AVG 0.195126 MAX 0.218006 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.309 MB LDB: TIME 1389.63 LOAD: AVG 0.195126 MAX 0.217427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.309 MB LDB: ============== END OF LOAD BALANCING =============== 1389.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1389.63 PRESSURE: 416400 -105.1 53.9083 -74.0599 53.9088 -46.2845 -59.1206 -74.0602 -59.1195 -348.126 GPRESSURE: 416400 -80.6576 72.4577 -9.00629 163.543 -9.72228 -12.0806 -123.393 -188.956 -341.53 PRESSAVG: 416400 -6.89793 -4.35822 -0.418962 -4.35828 22.91 -1.77421 -0.419001 -1.77426 -16.3846 GPRESSAVG: 416400 -8.05773 -5.48211 -1.05548 -4.68253 23.9119 -1.35094 0.877303 -5.92499 -16.3002 TIMING: 416400 CPU: 1377.53, 0.00320243/step Wall: 1377.53, 0.00320243/step, 4.07741 hours remaining, 231.433594 MB of memory in use. ENERGY: 416400 4057.1377 20767.1282 14476.4289 238.4123 -203527.5444 2508.0117 0.0000 0.0000 51949.3497 -109531.0759 298.5536 -161480.4256 -109178.7687 299.6110 -166.5037 -143.9700 761060.2813 -0.1242 -0.1487 PRESSURE: 416600 55.1164 -54.9331 160.09 -54.9331 24.4152 -169.95 160.09 -169.951 -353.641 GPRESSURE: 416600 105.041 -53.4135 173.706 -168.689 122.491 -99.5598 -46.5753 -47.836 -397.201 PRESSAVG: 416600 -18.3409 -16.747 35.9702 -16.7469 18.4715 -23.2237 35.9702 -23.2237 -1.69552 GPRESSAVG: 416600 -17.0688 -16.0403 36.2705 -16.1893 18.5302 -22.5124 34.1575 -22.7721 -2.68984 TIMING: 416600 CPU: 1378.16, 0.00315963/step Wall: 1378.16, 0.00315963/step, 4.02273 hours remaining, 231.433594 MB of memory in use. ENERGY: 416600 4070.9284 20684.1241 14420.5263 245.8777 -203703.3723 2655.2139 0.0000 0.0000 52144.3145 -109482.3874 299.6741 -161626.7019 -109120.2582 299.7515 -91.3698 -56.5560 761861.1493 -0.5216 -0.4095 PRESSURE: 416800 109.6 337.305 -79.4579 337.305 76.4523 126.313 -79.4586 126.314 378.218 GPRESSURE: 416800 148.438 267.504 -171.501 286.097 85.9256 74.9479 -181.794 155.213 420.418 PRESSAVG: 416800 35.0133 -3.06672 -47.1608 -3.0667 -3.49787 37.5471 -47.1607 37.5472 -0.446063 GPRESSAVG: 416800 36.0114 -2.43636 -46.6088 -3.7367 -4.76606 35.7534 -47.7096 38.0218 -0.393925 TIMING: 416800 CPU: 1378.79, 0.00314006/step Wall: 1378.79, 0.00314006/step, 3.99765 hours remaining, 231.433594 MB of memory in use. ENERGY: 416800 3955.6757 20360.7949 14444.7865 235.8470 -203446.7121 2649.1911 0.0000 0.0000 52243.1865 -109557.2304 300.2423 -161800.4168 -109188.7325 299.3883 188.0903 218.2605 760091.8260 10.3565 10.2838 PRESSURE: 417000 120.936 -236.665 -201.359 -236.665 183.138 56.7115 -201.358 56.7119 307.941 GPRESSURE: 417000 129.409 -145.05 -182.466 -208.969 235.908 -25.1313 -119.63 119.612 326.044 PRESSAVG: 417000 -2.23173 -21.3806 24.2192 -21.3806 35.8224 -14.5425 24.2191 -14.5426 -14.2731 GPRESSAVG: 417000 -3.37614 -20.9869 21.8962 -19.3649 36.2822 -11.9077 26.1405 -14.4278 -14.4175 TIMING: 417000 CPU: 1379.42, 0.00314332/step Wall: 1379.42, 0.00314332/step, 4.00163 hours remaining, 231.433594 MB of memory in use. ENERGY: 417000 3944.9001 20586.0130 14371.2099 229.4267 -203617.5897 2775.3158 0.0000 0.0000 52217.9071 -109492.8171 300.0970 -161710.7241 -109131.7296 299.4316 204.0052 230.4533 760245.6400 6.4392 6.1629 PRESSURE: 417200 203.862 -217.198 118.712 -217.2 334.511 -285.332 118.711 -285.333 74.9143 GPRESSURE: 417200 228.061 -337.613 143.243 -340.381 328.546 -241.429 55.3332 -178.702 140.666 PRESSAVG: 417200 -15.6258 -8.86953 13.8416 -8.8695 8.85981 18.6219 13.8415 18.6219 -18.3973 GPRESSAVG: 417200 -15.5438 -10.4154 13.7507 -10.7784 9.35639 17.4018 14.4342 19.811 -18.7631 TIMING: 417200 CPU: 1380.05, 0.00315562/step Wall: 1380.05, 0.00315562/step, 4.01711 hours remaining, 231.433594 MB of memory in use. ENERGY: 417200 3938.0655 20683.3630 14435.2455 272.8699 -203557.1029 2652.3665 0.0000 0.0000 52069.7999 -109505.3926 299.2459 -161575.1925 -109146.0224 298.5134 204.4291 232.4241 760872.1276 -8.3878 -8.3168 PRESSURE: 417400 -261.824 -31.9474 118.98 -31.9473 -237.703 123.857 118.981 123.858 -94.5462 GPRESSURE: 417400 -307 0.88109 67.9509 -126.747 -163.647 153.441 52.6154 101.281 -41.7629 PRESSAVG: 417400 -47.0097 -65.568 -52.7546 -65.568 27.1273 2.30716 -52.7546 2.30716 5.12901 GPRESSAVG: 417400 -47.4341 -65.0916 -53.7922 -64.9063 26.2852 1.79015 -51.4898 2.0522 6.24573 TIMING: 417400 CPU: 1380.68, 0.00318735/step Wall: 1380.68, 0.00318735/step, 4.05732 hours remaining, 231.433594 MB of memory in use. ENERGY: 417400 3986.3226 20588.7603 14346.6671 251.2085 -203224.3897 2365.7179 0.0000 0.0000 52114.1629 -109571.5505 299.5008 -161685.7134 -109199.1919 299.1698 -198.0243 -170.8032 760547.6865 -4.9178 -4.9677 PRESSURE: 417600 -81.4071 -7.73607 14.9047 -7.73586 100.26 288.145 14.905 288.145 -77.6546 GPRESSURE: 417600 -52.2352 61.2019 49.0506 40.0755 89.6814 209.031 -41.6027 295.806 -8.29243 PRESSAVG: 417600 10.5468 -39.8227 -50.0367 -39.8226 -56.585 2.26776 -50.0367 2.26776 -4.07854 GPRESSAVG: 417600 10.7944 -38.9188 -49.5744 -39.9706 -54.2852 3.00428 -49.5385 2.26588 -5.84671 TIMING: 417600 CPU: 1381.32, 0.00318091/step Wall: 1381.32, 0.00318091/step, 4.04894 hours remaining, 231.433594 MB of memory in use. ENERGY: 417600 3975.0012 20588.0610 14343.9003 256.4741 -203336.5726 2601.9872 0.0000 0.0000 51945.7854 -109625.3635 298.5331 -161571.1488 -109264.7819 299.1169 -19.6007 9.7179 762213.8741 -16.7056 -16.4458 PRESSURE: 417800 172.975 -58.3417 -199.786 -58.3413 67.2805 -81.5005 -199.787 -81.5012 497.496 GPRESSURE: 417800 197.671 -73.4384 -269.296 -54.0141 99.5495 -124.333 -187.564 -58.0949 515.269 PRESSAVG: 417800 10.0408 -18.1139 -62.4574 -18.1139 -37.228 -9.09482 -62.4573 -9.09482 0.609933 GPRESSAVG: 417800 9.09434 -18.2307 -62.4058 -17.7333 -39.1156 -8.46147 -63.8579 -9.17067 3.41778 TIMING: 417800 CPU: 1381.95, 0.00316665/step Wall: 1381.95, 0.00316665/step, 4.03062 hours remaining, 231.433594 MB of memory in use. ENERGY: 417800 3921.2704 20641.7857 14453.7175 242.9714 -203580.9376 2613.3905 0.0000 0.0000 52014.4049 -109693.3971 298.9275 -161707.8020 -109340.4961 298.6589 245.9174 270.8296 761412.4158 -8.8591 -8.8678 PRESSURE: 418000 -239.456 -173.499 75.8115 -173.499 -225.216 -3.3167 75.8114 -3.31747 68.0316 GPRESSURE: 418000 -242.566 -124.348 126.218 -135.74 -148.741 -30.0961 42.6196 -53.2938 92.428 PRESSAVG: 418000 27.7624 -12.6236 -47.3257 -12.6236 -0.534558 36.2488 -47.3257 36.2488 14.2089 GPRESSAVG: 418000 28.4469 -14.4046 -45.7618 -13.6467 0.366377 36.0541 -50.386 34.6418 12.9882 TIMING: 418000 CPU: 1382.59, 0.00318767/step Wall: 1382.59, 0.00318767/step, 4.0572 hours remaining, 231.433594 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: 418000 3943.9693 20410.0142 14425.3024 246.6103 -203418.1745 2405.6150 0.0000 0.0000 52228.5965 -109758.0669 300.1585 -161986.6634 -109387.8905 298.8267 -132.2136 -99.6266 759639.6785 13.8122 13.9338 PRESSURE: 418200 -254.01 -155.904 87.1715 -155.904 -79.6968 34.4691 87.1709 34.4685 76.482 GPRESSURE: 418200 -274.726 -70.2014 47.1549 -98.1793 -20.2523 38.4033 29.8419 4.05407 125.277 PRESSAVG: 418200 20.9808 0.0576642 -28.342 0.0576376 5.50299 0.421622 -28.3419 0.421573 -3.33242 GPRESSAVG: 418200 21.338 -0.550147 -29.8409 2.87186 5.17969 0.479323 -25.0967 1.2916 -3.93387 TIMING: 418200 CPU: 1383.23, 0.00317736/step Wall: 1383.23, 0.00317736/step, 4.04389 hours remaining, 231.433594 MB of memory in use. ENERGY: 418200 4007.4753 20676.4567 14422.6671 248.3656 -203043.3944 2375.5369 0.0000 0.0000 51861.0128 -109451.8801 298.0460 -161312.8929 -109100.4108 298.8463 -85.7417 -56.5670 759704.3335 7.7171 7.5279 PRESSURE: 418400 -285.918 -135.526 -0.781339 -135.526 -404.489 140.577 -0.781171 140.577 -323.425 GPRESSURE: 418400 -297.021 -214.138 -10.1729 -213.196 -355.015 208.067 43.5759 83.5292 -283.171 PRESSAVG: 418400 -11.4761 14.3437 -41.9467 14.3437 -12.1323 2.77755 -41.9468 2.77749 33.2706 GPRESSAVG: 418400 -11.3106 16.0024 -40.8222 11.0972 -11.8394 1.08679 -38.3864 4.6734 32.3155 TIMING: 418400 CPU: 1383.87, 0.00319795/step Wall: 1383.87, 0.00319795/step, 4.06993 hours remaining, 231.433594 MB of memory in use. ENERGY: 418400 4107.4778 20623.4773 14466.9096 223.8761 -203099.1091 2373.9306 0.0000 0.0000 51757.5731 -109545.8646 297.4515 -161303.4377 -109182.8370 299.2896 -337.9439 -311.7356 761724.6785 3.2207 3.0551 PRESSURE: 418600 57.6112 -118.67 349.756 -118.669 216.526 -70.4071 349.757 -70.407 -349.394 GPRESSURE: 418600 -49.9442 -46.4762 347.936 -94.1296 335.523 -83.5555 377.474 -28.7347 -288.509 PRESSAVG: 418600 -25.5614 19.5475 47.9226 19.5476 24.8888 11.364 47.9226 11.364 -19.6173 GPRESSAVG: 418600 -26.9786 20.0014 47.3972 21.4522 25.6771 10.8419 43.3186 10.4544 -18.1471 TIMING: 418600 CPU: 1384.5, 0.00315207/step Wall: 1384.5, 0.00315207/step, 4.01136 hours remaining, 231.433594 MB of memory in use. ENERGY: 418600 3940.7208 20571.8582 14446.9250 257.7649 -203650.9659 2658.3242 0.0000 0.0000 52144.0705 -109631.3022 299.6727 -161775.3727 -109264.3273 299.4446 -25.0856 -0.9769 760134.3683 -6.7633 -6.4828 PRESSURE: 418800 -61.4261 -138.91 36.2156 -138.91 -27.8575 -204.329 36.2159 -204.329 -95.41 GPRESSURE: 418800 22.3702 -3.53936 119.546 -221.239 -27.4745 -77.4308 36.2452 -257.842 -99.1865 PRESSAVG: 418800 -10.8178 -19.497 45.3328 -19.4971 15.9119 6.19184 45.3328 6.19184 19.9497 GPRESSAVG: 418800 -10.7401 -20.2673 45.1558 -20.957 15.401 8.44869 47.2493 6.59008 20.3241 TIMING: 418800 CPU: 1385.12, 0.00313911/step Wall: 1385.12, 0.00313911/step, 3.99469 hours remaining, 231.433594 MB of memory in use. ENERGY: 418800 3991.5209 20645.2527 14392.6174 239.7121 -203362.6517 2258.3683 0.0000 0.0000 52245.2896 -109589.8908 300.2544 -161835.1804 -109223.6965 299.3622 -61.5645 -34.7636 760199.7037 8.3479 8.3283 PRESSURE: 419000 235.147 207.172 229.163 207.171 196.048 -93.7549 229.163 -93.7555 -110.944 GPRESSURE: 419000 104.942 215.099 226.379 191.497 290.154 -119.258 190.482 -79.4376 4.27346 PRESSAVG: 419000 1.63032 -21.6315 -15.6686 -21.6315 50.2881 -22.0732 -15.6686 -22.0732 -14.2237 GPRESSAVG: 419000 1.92844 -20.0952 -14.8731 -23.8437 49.9552 -24.145 -14.9381 -22.1247 -14.3539 TIMING: 419000 CPU: 1385.75, 0.00314629/step Wall: 1385.75, 0.00314629/step, 4.00365 hours remaining, 231.433594 MB of memory in use. ENERGY: 419000 4085.4579 20615.5960 14450.1669 246.4437 -203255.2597 2281.0726 0.0000 0.0000 51842.9016 -109733.6210 297.9419 -161576.5226 -109376.1810 299.1422 106.7502 133.1232 759046.1233 12.5649 12.5099 PRESSURE: 419200 30.7741 -185.106 63.5547 -185.105 323.188 -143.988 63.5547 -143.989 -81.089 GPRESSURE: 419200 122.408 -148.098 47.2456 -193.746 380.539 -156.11 108.752 -31.5565 -141.732 PRESSAVG: 419200 -47.2942 -25.2887 18.3227 -25.2888 51.0879 45.6959 18.3228 45.696 3.47477 GPRESSAVG: 419200 -46.0891 -25.8745 16.3467 -23.8493 51.4758 45.3966 17.6402 47.0575 1.55643 TIMING: 419200 CPU: 1386.38, 0.00314453/step Wall: 1386.38, 0.00314453/step, 4.00123 hours remaining, 231.433594 MB of memory in use. ENERGY: 419200 4032.2474 20649.0695 14434.8339 259.6474 -203853.7502 2733.8550 0.0000 0.0000 52238.8781 -109505.2189 300.2176 -161744.0970 -109152.8912 299.1654 90.9575 120.4051 759040.5604 2.4228 2.3144 PRESSURE: 419400 340.858 -159.342 -74.4198 -159.342 -22.1503 -137.503 -74.4197 -137.503 -98.9843 GPRESSURE: 419400 289.311 -198.825 0.719794 -213.038 35.553 -101.287 -129.081 -157.391 -23.8695 PRESSAVG: 419400 -22.2488 -41.7225 -29.1531 -41.7225 13.217 31.4457 -29.153 31.4457 1.62037 GPRESSAVG: 419400 -21.3842 -42.1886 -27.8788 -40.1619 11.2659 32.9201 -29.8528 31.3839 3.24734 TIMING: 419400 CPU: 1387.01, 0.00315526/step Wall: 1387.01, 0.00315526/step, 4.01471 hours remaining, 231.433594 MB of memory in use. ENERGY: 419400 3992.7368 20513.9461 14397.9080 249.1738 -203343.9012 2526.5879 0.0000 0.0000 52078.1324 -109585.4160 299.2937 -161663.5485 -109221.4766 299.4782 73.2413 100.3313 759984.1319 -2.4705 -2.2903 PRESSURE: 419600 62.7515 -148.999 -1.65241 -148.998 162.562 48.6529 -1.6537 48.6531 267.59 GPRESSURE: 419600 73.7746 -144.54 -24.8221 -222.006 193.078 101.837 48.9528 -8.01368 313.021 PRESSAVG: 419600 40.2115 -27.8651 -35.1771 -27.8652 15.8721 -29.7442 -35.1771 -29.7442 -1.91011 GPRESSAVG: 419600 39.5192 -27.5786 -34.0432 -29.3242 17.2087 -30.341 -33.8851 -30.6149 -2.73451 TIMING: 419600 CPU: 1387.65, 0.00317006/step Wall: 1387.65, 0.00317005/step, 4.03337 hours remaining, 231.433594 MB of memory in use. ENERGY: 419600 4015.5894 20484.8022 14428.5485 244.3837 -203723.9753 2544.6791 0.0000 0.0000 52409.7023 -109596.2701 301.1993 -162005.9723 -109230.9168 298.9965 164.3014 193.2912 759012.1213 18.0578 17.9978 PRESSURE: 419800 145.447 -131.013 165.388 -131.012 -148.446 59.9276 165.388 59.9281 487.361 GPRESSURE: 419800 143.534 -157.116 117.207 -155.983 -57.2298 149.413 221.583 81.1647 481.793 PRESSAVG: 419800 -24.5174 -31.2719 51.4965 -31.2718 23.2927 -12.3661 51.4965 -12.3661 -8.56729 GPRESSAVG: 419800 -24.3478 -31.6537 51.4321 -31.5351 22.3851 -11.6269 49.4087 -11.9917 -8.20439 TIMING: 419800 CPU: 1388.28, 0.00318178/step Wall: 1388.28, 0.00318178/step, 4.04811 hours remaining, 231.433594 MB of memory in use. ENERGY: 419800 4006.0770 20590.9795 14462.5444 253.2767 -203798.3094 2761.1440 0.0000 0.0000 51912.6186 -109811.6691 298.3425 -161724.2878 -109459.2369 299.0056 161.4540 189.3656 761094.7277 -3.2640 -3.3890 PRESSURE: 420000 -14.1545 -29.1498 -222.91 -29.1501 -66.4064 -138.467 -222.91 -138.466 368.591 GPRESSURE: 420000 5.58529 -63.0674 -161.268 -152.257 22.3843 -176.66 -273.644 -30.6912 342.488 PRESSAVG: 420000 23.1669 -2.71781 23.9689 -2.7178 -36.1539 0.836703 23.9689 0.836742 1.25655 GPRESSAVG: 420000 23.0423 -2.16596 23.0944 -1.3217 -34.6121 -0.134094 24.885 -0.203001 -0.435368 TIMING: 420000 CPU: 1388.91, 0.00314502/step Wall: 1388.91, 0.00314502/step, 4.00117 hours remaining, 231.433594 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: 420000 3944.6025 20612.9618 14439.5305 236.5862 -203568.4113 2462.4562 0.0000 0.0000 52126.7570 -109745.5171 299.5732 -161872.2741 -109381.8504 298.6393 96.0101 123.4858 759827.0063 -3.9102 -4.0017 PRESSURE: 420200 235.614 -191.885 141.701 -191.885 -138.909 78.426 141.701 78.4261 145.939 GPRESSURE: 420200 217.216 -225.216 213 -336.182 -63.0547 44.0997 245.192 107.447 170.73 PRESSAVG: 420200 20.9674 6.59925 24.5791 6.59928 12.6497 9.36387 24.5791 9.36387 2.815 GPRESSAVG: 420200 19.3133 7.93434 23.2076 5.71673 12.1457 10.7059 27.1627 10.323 4.97008 TIMING: 420200 CPU: 1389.55, 0.00316954/step Wall: 1389.55, 0.00316954/step, 4.03219 hours remaining, 231.433594 MB of memory in use. ENERGY: 420200 4070.5960 20611.3383 14462.1344 250.2092 -203864.0199 2733.7364 0.0000 0.0000 51773.6762 -109962.3293 297.5440 -161736.0055 -109611.4314 298.1626 80.8810 108.2971 760640.3905 12.1441 12.1430 LDB: ============= START OF LOAD BALANCING ============== 1401.97 LDB: ============== END OF LOAD BALANCING =============== 1401.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1401.97 LDB: ============= START OF LOAD BALANCING ============== 1402.29 LDB: Largest compute 7025 load 0.036716 is 18.8% of average load 0.195200 LDB: Average compute 0.004394 is 2.3% of average load 0.195200 LDB: TIME 1402.29 LOAD: AVG 0.1952 MAX 0.215735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.918 MB LDB: TIME 1402.29 LOAD: AVG 0.1952 MAX 0.215735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.918 MB LDB: TIME 1402.29 LOAD: AVG 0.1952 MAX 0.215735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.918 MB LDB: ============== END OF LOAD BALANCING =============== 1402.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1402.3 PRESSURE: 420400 -94.0066 114.732 128.962 114.731 7.7541 180.862 128.961 180.863 -392.755 GPRESSURE: 420400 -22.8625 262.54 75.3548 299.401 51.3762 263.072 144 36.5083 -428.008 PRESSAVG: 420400 38.8202 -40.276 12.5788 -40.276 -8.8512 -48.6214 12.5788 -48.6213 -1.58343 GPRESSAVG: 420400 40.2565 -41.9499 14.6211 -40.2095 -8.69237 -50.1386 8.71328 -48.7737 -3.15346 TIMING: 420400 CPU: 1390.19, 0.00322412/step Wall: 1390.19, 0.00322412/step, 4.10144 hours remaining, 231.960938 MB of memory in use. ENERGY: 420400 3990.6170 20526.7273 14360.1938 239.4882 -203078.1945 2212.9823 0.0000 0.0000 51722.9440 -110025.2418 297.2525 -161748.1858 -109669.2565 298.3822 -159.6693 -133.1647 760152.3354 9.4619 9.4702 PRESSURE: 420600 -192.587 -79.1644 -48.6351 -79.1655 37.6689 -98.3824 -48.6351 -98.3815 -24.3246 GPRESSURE: 420600 -129.667 -130.309 -31.5874 92.381 3.53352 -19.2455 24.2897 -12.7224 -2.05594 PRESSAVG: 420600 9.28619 15.1246 -21.7166 15.1247 7.95359 -20.7648 -21.7166 -20.7648 -15.3633 GPRESSAVG: 420600 10.4972 15.9977 -22.1772 15.5484 7.36605 -19.8539 -19.2153 -23.1856 -15.6499 TIMING: 420600 CPU: 1390.82, 0.00314132/step Wall: 1390.82, 0.00314132/step, 3.99593 hours remaining, 231.960938 MB of memory in use. ENERGY: 420600 4000.0367 20474.9620 14511.4866 251.2417 -203099.4136 2318.6236 0.0000 0.0000 51499.3462 -110043.7168 295.9675 -161543.0629 -109685.8624 298.0009 -59.7477 -42.7299 760427.7898 0.6255 0.7378 PRESSURE: 420800 50.7213 86.5509 -73.8721 86.5501 60.9549 -48.6727 -73.8722 -48.6726 106.754 GPRESSURE: 420800 57.2573 15.1102 -123.918 -27.4185 88.9591 -30.4001 10.9169 -119.194 145.933 PRESSAVG: 420800 -82.0109 -38.8381 -9.6294 -38.8381 56.1741 1.15576 -9.6294 1.15579 -25.3091 GPRESSAVG: 420800 -82.9307 -40.3793 -10.5924 -38.6313 55.9783 2.39608 -9.3484 2.62689 -23.6108 TIMING: 420800 CPU: 1391.45, 0.00315313/step Wall: 1391.45, 0.00315313/step, 4.01078 hours remaining, 231.960938 MB of memory in use. ENERGY: 420800 3970.9430 20469.9085 14452.2632 256.0918 -203276.9322 2447.9688 0.0000 0.0000 51705.3359 -109974.4210 297.1513 -161679.7569 -109618.0809 298.0817 72.8101 97.3832 761376.4310 -17.0486 -16.8544 PRESSURE: 421000 125.152 -27.2335 -144.886 -27.2334 -146.053 -45.4543 -144.886 -45.4533 86.6499 GPRESSURE: 421000 58.1837 -59.7889 -57.6186 -19.7997 -71.8453 58.0988 -147.224 -34.5468 148.35 PRESSAVG: 421000 -1.05684 -25.2513 12.2839 -25.2514 15.1436 -9.90597 12.2839 -9.90598 -8.5249 GPRESSAVG: 421000 -0.779751 -23.5321 12.8874 -27.125 16.0977 -9.53511 10.315 -8.69646 -10.344 TIMING: 421000 CPU: 1392.08, 0.00313105/step Wall: 1392.08, 0.00313105/step, 3.98253 hours remaining, 231.960938 MB of memory in use. ENERGY: 421000 3995.9364 20268.9681 14466.0569 244.7876 -203131.2262 2462.8065 0.0000 0.0000 51962.8945 -109729.7763 298.6315 -161692.6707 -109356.7574 298.4310 21.9162 44.8961 760706.1090 1.8539 1.6580 PRESSURE: 421200 45.0379 267.86 -61.7733 267.859 -170.016 161.343 -61.7734 161.345 -330.319 GPRESSURE: 421200 124.735 131.275 -141.348 231.923 -217.259 96.4924 106.584 119.014 -269.134 PRESSAVG: 421200 -51.6451 -47.9996 -40.1821 -47.9995 19.7977 -18.9205 -40.1821 -18.9204 -19.9912 GPRESSAVG: 421200 -52.1618 -52.5503 -39.817 -44.5928 18.7901 -20.8026 -38.1661 -18.4932 -18.1229 TIMING: 421200 CPU: 1392.7, 0.00312354/step Wall: 1392.7, 0.00312354/step, 3.97279 hours remaining, 231.960938 MB of memory in use. ENERGY: 421200 3969.9118 20346.8456 14388.6444 248.6276 -202768.7962 2146.4724 0.0000 0.0000 51906.5394 -109761.7551 298.3076 -161668.2945 -109407.7502 298.5943 -151.7658 -120.5529 760489.9997 -17.2796 -17.1649 PRESSURE: 421400 -361.568 117.551 36.6943 117.549 -508.401 96.1505 36.6943 96.149 -383.973 GPRESSURE: 421400 -378.521 25.7391 -7.71445 201.154 -387.191 160.121 163.98 15.3309 -380.404 PRESSAVG: 421400 54.4896 -23.2001 38.465 -23.2001 -57.3158 75.9713 38.4649 75.9712 -16.317 GPRESSAVG: 421400 54.9197 -20.5014 38.7989 -24.3795 -56.4373 76.0794 37.317 77.0644 -17.3102 TIMING: 421400 CPU: 1393.33, 0.00315421/step Wall: 1393.33, 0.00315421/step, 4.01162 hours remaining, 231.960938 MB of memory in use. ENERGY: 421400 3895.0525 20471.9901 14580.3974 272.3413 -203042.0141 2158.3207 0.0000 0.0000 51807.6572 -109856.2550 297.7393 -161663.9121 -109511.2053 298.4321 -417.9808 -382.0385 761386.9255 -6.3811 -6.2760 PRESSURE: 421600 -48.9616 -4.40564 51.9652 -4.4061 16.367 110.046 51.9643 110.046 -55.6041 GPRESSURE: 421600 -63.2981 58.6797 -12.0419 -28.771 132.931 77.7041 227.493 182.777 -65.6341 PRESSAVG: 421600 36.9848 -23.2234 8.49999 -23.2234 -30.3451 57.4753 8.5 57.4753 -20.6962 GPRESSAVG: 421600 36.4799 -21.8101 8.82141 -23.2438 -30.5272 57.8521 9.45354 55.9906 -19.9075 TIMING: 421600 CPU: 1393.96, 0.00315972/step Wall: 1393.96, 0.00315972/step, 4.01846 hours remaining, 231.960938 MB of memory in use. ENERGY: 421600 3934.6976 20450.7930 14498.1696 255.5046 -203138.0785 2340.8373 0.0000 0.0000 52055.1691 -109602.9074 299.1618 -161658.0764 -109243.0802 298.2214 -29.3996 1.3329 760004.9144 -4.6855 -4.6516 PRESSURE: 421800 281.774 129.562 -132.85 129.561 -68.5346 237.21 -132.85 237.21 -61.0096 GPRESSURE: 421800 288.934 56.1075 -73.5717 40.2344 28.8076 215.992 -89.9797 273.063 -77.291 PRESSAVG: 421800 -16.3795 -4.87743 36.0642 -4.87749 19.2383 -1.59258 36.0642 -1.59259 19.3678 GPRESSAVG: 421800 -15.9521 -6.90318 35.0793 -6.81515 19.6994 -2.57331 34.5316 -2.23036 18.2139 TIMING: 421800 CPU: 1394.59, 0.00314462/step Wall: 1394.59, 0.00314462/step, 3.99909 hours remaining, 231.960938 MB of memory in use. ENERGY: 421800 3963.6070 20355.4943 14524.2346 258.2699 -203232.0713 2525.3275 0.0000 0.0000 52192.7658 -109412.3723 299.9525 -161605.1381 -109056.9244 298.9669 50.7434 80.1503 760941.5653 7.4089 7.3204 PRESSURE: 422000 99.0553 4.60915 343.092 4.60973 -43.4972 7.5918 343.091 7.59192 -46.7272 GPRESSURE: 422000 77.4462 29.1335 326.502 16.755 100.496 -7.79511 160.512 0.982651 -88.2903 PRESSAVG: 422000 -47.2612 14.0985 45.425 14.0985 33.8108 22.2561 45.425 22.2561 3.72391 GPRESSAVG: 422000 -48.1489 13.598 44.217 15.9684 33.9055 20.9799 44.5447 24.7514 5.16225 TIMING: 422000 CPU: 1395.22, 0.00313991/step Wall: 1395.22, 0.00313991/step, 3.99292 hours remaining, 231.960938 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: 422000 4018.0266 20532.9220 14516.3064 231.2085 -202979.9347 2504.5326 0.0000 0.0000 51700.0736 -109476.8650 297.1210 -161176.9387 -109123.0215 299.1412 2.9436 29.8841 760129.5139 -3.2422 -3.0271 PRESSURE: 422200 317.436 142.032 -81.1993 142.032 -101.528 259.104 -81.1983 259.104 309.782 GPRESSURE: 422200 362.125 64.3805 -21.9695 63.507 22.2335 229.787 69.9065 172.437 228.92 PRESSAVG: 422200 -2.80534 6.33344 15.8868 6.33348 -9.14644 -4.00393 15.8868 -4.00387 0.452043 GPRESSAVG: 422200 -1.98376 7.04776 17.4091 8.05553 -9.78046 -2.303 16.9279 -7.33634 -0.371642 TIMING: 422200 CPU: 1395.85, 0.00313421/step Wall: 1395.85, 0.00313421/step, 3.98549 hours remaining, 231.960938 MB of memory in use. ENERGY: 422200 3864.7642 20423.0524 14458.2987 222.3375 -202819.4534 2251.9483 0.0000 0.0000 52207.9119 -109391.1405 300.0396 -161599.0524 -109034.4720 299.1456 175.2300 204.4260 760870.6226 -3.8332 -4.0453 PRESSURE: 422400 271.346 -195.726 81.4418 -195.727 -3.53066 216.26 81.4414 216.26 422.942 GPRESSURE: 422400 245.758 -255.395 55.5171 -307.881 147.199 245.786 111.75 103.388 412.307 PRESSAVG: 422400 4.59193 -33.1174 41.347 -33.1175 -16.3979 31.2677 41.3471 31.2678 -6.86122 GPRESSAVG: 422400 5.82959 -32.2776 41.3135 -36.898 -16.7851 31.8654 40.7867 32.5262 -7.87629 TIMING: 422400 CPU: 1396.47, 0.00312262/step Wall: 1396.47, 0.00312262/step, 3.97058 hours remaining, 231.960938 MB of memory in use. ENERGY: 422400 3912.5472 20502.2910 14504.4157 250.1355 -203345.6761 2676.9024 0.0000 0.0000 51938.9593 -109560.4249 298.4939 -161499.3842 -109208.5720 299.5484 230.2523 268.4214 759779.4832 -6.2224 -6.2773 PRESSURE: 422600 -349.333 -343.508 -75.2792 -343.508 -205.406 9.53682 -75.2789 9.53791 97.4676 GPRESSURE: 422600 -334.371 -328.867 -44.5827 -175.417 -127.365 9.00807 -7.56668 -50.8197 80.2668 PRESSAVG: 422600 -55.0493 -13.1981 -22.7737 -13.1982 17.5659 -4.44436 -22.7737 -4.44442 -21.1798 GPRESSAVG: 422600 -56.1124 -14.6361 -22.76 -12.1475 17.8078 -6.76919 -22.9064 -6.23817 -20.178 TIMING: 422600 CPU: 1397.1, 0.0031361/step Wall: 1397.1, 0.0031361/step, 3.98755 hours remaining, 231.960938 MB of memory in use. ENERGY: 422600 3986.5574 20436.2185 14461.7759 240.2631 -203115.5134 2536.1363 0.0000 0.0000 51780.6624 -109673.8997 297.5842 -161454.5621 -109315.9978 298.2532 -152.4238 -127.1564 759944.1350 -19.5544 -19.4942 PRESSURE: 422800 -281.095 188.737 -143.589 188.737 137.476 40.7246 -143.589 40.7251 -146.716 GPRESSURE: 422800 -199.097 47.3798 -204.815 228.607 66.2935 -82.0655 -30.3967 -95.6638 -89.3825 PRESSAVG: 422800 55.5536 0.329161 -49.7029 0.329197 -28.6299 72.4505 -49.7029 72.4505 -20.45 GPRESSAVG: 422800 55.2636 1.43155 -50.4767 -1.39839 -28.2609 72.5298 -48.101 73.4342 -21.0386 TIMING: 422800 CPU: 1397.73, 0.00315228/step Wall: 1397.73, 0.00315228/step, 4.00795 hours remaining, 231.960938 MB of memory in use. ENERGY: 422800 3964.5710 20559.0083 14446.8518 240.6519 -202987.9424 2226.8887 0.0000 0.0000 51915.5301 -109634.4406 298.3593 -161549.9708 -109282.5326 298.6868 -96.7784 -74.0619 761231.4240 2.1579 1.9880 PRESSURE: 423000 -216.986 71.5526 -86.6229 71.553 184.044 -172.673 -86.6237 -172.674 65.1933 GPRESSURE: 423000 -100.849 116.066 -125.225 98.9316 186.291 -82.543 -147.135 -55.6293 35.8767 PRESSAVG: 423000 -78.6665 8.62463 -12.8497 8.62457 25.3458 -24.3545 -12.8497 -24.3546 10.2497 GPRESSAVG: 423000 -78.5561 9.26293 -11.6083 11.1011 24.7932 -23.6318 -13.4936 -22.4023 10.7113 TIMING: 423000 CPU: 1398.36, 0.00313455/step Wall: 1398.36, 0.00313455/step, 3.98524 hours remaining, 231.960938 MB of memory in use. ENERGY: 423000 3902.0946 20527.6786 14437.2137 243.7524 -203315.9688 2413.2155 0.0000 0.0000 52183.7096 -109608.3043 299.9005 -161792.0139 -109252.8031 299.0078 10.7505 40.4396 760290.8149 -14.3570 -14.3505 PRESSURE: 423200 198.073 -39.1815 -310.348 -39.1809 100.774 67.8311 -310.348 67.8306 156.668 GPRESSURE: 423200 205.426 -17.9716 -221.664 57.1214 134.456 38.1953 -276.184 89.314 215.576 PRESSAVG: 423200 -2.19869 -57.2928 6.84077 -57.2928 36.7814 -23.2147 6.84068 -23.2149 -0.586741 GPRESSAVG: 423200 -3.30356 -58.1803 5.6449 -58.4344 36.7911 -23.0375 7.75054 -24.3415 0.428943 TIMING: 423200 CPU: 1398.98, 0.0031297/step Wall: 1398.98, 0.0031297/step, 3.97889 hours remaining, 231.960938 MB of memory in use. ENERGY: 423200 3946.3888 20581.1042 14415.6380 260.4850 -203403.3323 2662.2159 0.0000 0.0000 52070.3995 -109467.1009 299.2493 -161537.5004 -109117.9841 299.6967 151.8381 185.1527 760011.1960 11.3320 11.3055 PRESSURE: 423400 79.5316 81.6621 171.075 81.6618 93.8362 -18.5508 171.074 -18.5506 103.822 GPRESSURE: 423400 72.1106 39.0889 110.974 -34.5091 203.368 41.6725 230.874 5.26956 105.276 PRESSAVG: 423400 -9.70791 -21.3074 25.4044 -21.3074 23.163 -8.33202 25.4044 -8.33203 -4.55704 GPRESSAVG: 423400 -9.88668 -22.2291 27.4785 -20.9433 23.9327 -6.97737 23.6938 -6.88225 -4.98777 TIMING: 423400 CPU: 1399.61, 0.00315275/step Wall: 1399.61, 0.00315275/step, 4.00802 hours remaining, 231.960938 MB of memory in use. ENERGY: 423400 4099.9352 20490.3218 14509.8825 238.7360 -204015.4744 2914.9686 0.0000 0.0000 52060.0332 -109701.5972 299.1897 -161761.6303 -109345.9131 299.2175 92.3968 126.9183 758855.1771 2.9660 3.0194 PRESSURE: 423600 -211.244 100.877 -218.497 100.876 -44.4393 -174.412 -218.497 -174.411 99.0694 GPRESSURE: 423600 -165.063 51.3353 -186.147 156.463 -32.2777 -198.864 -177.612 -167.402 117.266 PRESSAVG: 423600 -29.0536 9.87308 6.26197 9.87308 14.0569 54.3804 6.26192 54.3805 -20.4014 GPRESSAVG: 423600 -28.7942 11.1866 5.88245 11.7389 13.9178 52.2358 5.78058 53.5259 -20.7722 TIMING: 423600 CPU: 1400.24, 0.00313792/step Wall: 1400.24, 0.00313792/step, 3.98899 hours remaining, 231.960938 MB of memory in use. ENERGY: 423600 3962.8332 20453.0382 14470.5770 255.3655 -203630.5893 2569.3204 0.0000 0.0000 51980.7321 -109938.7229 298.7340 -161919.4550 -109591.0288 298.9499 -52.2047 -26.6914 760093.0785 -11.7994 -11.8828 PRESSURE: 423800 -100.997 106.333 88.8687 106.332 133.491 -75.0117 88.8689 -75.0119 -139.314 GPRESSURE: 423800 39.7896 249.799 8.22971 -7.98825 4.52214 -85.8797 68.9255 -10.6504 -79.53 PRESSAVG: 423800 38.4219 -9.81109 -11.1947 -9.8111 -25.2419 21.9726 -11.1947 21.9726 -4.82858 GPRESSAVG: 423800 38.2859 -10.3647 -12.4421 -10.7216 -25.3296 22.338 -9.33662 19.9704 -4.09424 TIMING: 423800 CPU: 1400.86, 0.00311961/step Wall: 1400.86, 0.00311961/step, 3.96554 hours remaining, 231.960938 MB of memory in use. ENERGY: 423800 4007.6441 20596.8876 14430.3675 227.3079 -203401.6073 2451.1434 0.0000 0.0000 51678.0106 -110010.2463 296.9942 -161688.2569 -109653.2203 298.0168 -35.6068 -11.7394 762269.8261 2.7838 2.9540 PRESSURE: 424000 -320.37 0.391638 -174.033 0.39252 -114.198 -222.186 -174.033 -222.186 64.9679 GPRESSURE: 424000 -243.242 115.454 -162.192 3.61073 -65.3869 -194.742 -135.802 -197.418 35.1213 PRESSAVG: 424000 -8.80991 74.7332 6.02649 74.7332 -32.5565 14.3477 6.02651 14.3476 -0.422237 GPRESSAVG: 424000 -8.29553 75.3113 5.25255 72.9793 -32.5194 14.4901 5.25033 14.6812 -1.07564 TIMING: 424000 CPU: 1401.49, 0.00314815/step Wall: 1401.49, 0.00314815/step, 4.00165 hours remaining, 231.960938 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: 424000 3972.6888 20542.3177 14424.1039 271.3304 -203783.8432 2400.2698 0.0000 0.0000 52170.2425 -110002.8902 299.8231 -162173.1326 -109638.8922 298.4850 -123.2002 -91.1691 760254.8376 -13.9296 -13.9635 PRESSURE: 424200 -297.897 179.971 51.0196 179.971 -0.178416 122.079 51.0192 122.079 -260.525 GPRESSURE: 424200 -178.225 261.231 88.8584 104.4 -76.1649 111.147 -8.89887 174.617 -205.553 PRESSAVG: 424200 -68.2776 56.9692 -26.7511 56.9692 67.3064 24.5517 -26.7511 24.5517 -6.90444 GPRESSAVG: 424200 -67.8708 56.4921 -26.4906 60.1211 65.6334 24.3906 -26.2396 25.0173 -6.05659 TIMING: 424200 CPU: 1402.12, 0.00314828/step Wall: 1402.12, 0.00314828/step, 4.00164 hours remaining, 231.960938 MB of memory in use. ENERGY: 424200 4010.9737 20591.3412 14411.8137 274.7952 -203226.0775 2305.4066 0.0000 0.0000 51846.9177 -109784.8295 297.9649 -161631.7471 -109416.7484 298.1241 -186.2002 -153.3144 761146.4761 -2.6252 -2.7647 LDB: ============= START OF LOAD BALANCING ============== 1414.54 LDB: ============== END OF LOAD BALANCING =============== 1414.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1414.55 LDB: ============= START OF LOAD BALANCING ============== 1414.86 LDB: Largest compute 7034 load 0.035438 is 18.2% of average load 0.195084 LDB: Average compute 0.004401 is 2.3% of average load 0.195084 LDB: TIME 1414.86 LOAD: AVG 0.195084 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 1414.86 LOAD: AVG 0.195084 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.586 MB LDB: TIME 1414.86 LOAD: AVG 0.195084 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.586 MB LDB: ============== END OF LOAD BALANCING =============== 1414.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1414.87 PRESSURE: 424400 -211.977 6.65204 -15.7716 6.65215 65.2383 63.7831 -15.7725 63.7839 310.095 GPRESSURE: 424400 -213.052 46.1259 37.4926 73.6876 43.8389 99.6251 -87.1691 16.2716 418.067 PRESSAVG: 424400 12.8591 -16.2371 -76.1027 -16.2372 -32.7498 32.6958 -76.1028 32.6958 -8.31063 GPRESSAVG: 424400 10.8319 -16.4697 -74.5399 -16.6313 -31.5243 32.8677 -77.3513 33.9925 -7.18406 TIMING: 424400 CPU: 1402.76, 0.00319878/step Wall: 1402.76, 0.00319878/step, 4.06565 hours remaining, 232.156250 MB of memory in use. ENERGY: 424400 3992.0388 20403.9468 14396.5509 234.6948 -203137.8293 2402.4004 0.0000 0.0000 51883.7596 -109824.4379 298.1767 -161708.1975 -109473.4105 298.3279 54.4522 82.9513 762570.4541 -9.4004 -9.2921 PRESSURE: 424600 -61.9142 -216.204 168.476 -216.204 178.788 55.4316 168.475 55.4318 -41.1161 GPRESSURE: 424600 25.4137 -129.546 109.022 -139.287 181.767 83.8592 98.6308 101.836 -37.0292 PRESSAVG: 424600 10.57 -7.42758 -0.013103 -7.42757 47.7866 14.4147 -0.0131156 14.4147 -24.1812 GPRESSAVG: 424600 12.3255 -8.08205 -0.847842 -7.99006 47.7596 14.3577 -2.9797 13.4857 -25.9789 TIMING: 424600 CPU: 1403.39, 0.00313847/step Wall: 1403.39, 0.00313847/step, 3.98882 hours remaining, 232.156250 MB of memory in use. ENERGY: 424600 3955.0300 20355.3623 14483.3009 236.2183 -203790.4303 2593.2961 0.0000 0.0000 52245.1134 -109922.1093 300.2534 -162167.2227 -109554.9239 298.2708 25.2525 56.7173 760693.0627 11.3918 11.3687 PRESSURE: 424800 -79.8414 3.56655 -107.445 3.56772 -268.791 88.5985 -107.445 88.5983 33.7801 GPRESSURE: 424800 -84.9503 47.6821 -13.2488 -3.12463 -185.406 37.1384 -137.039 0.222211 29.8332 PRESSAVG: 424800 -40.6811 8.40826 -8.22773 8.4083 50.6784 -4.27955 -8.2277 -4.27956 -13.4407 GPRESSAVG: 424800 -40.5328 8.06435 -9.29088 10.2073 50.2283 -3.99086 -1.62416 -3.20191 -12.8013 TIMING: 424800 CPU: 1404.02, 0.00315048/step Wall: 1404.02, 0.00315048/step, 4.00391 hours remaining, 232.156250 MB of memory in use. ENERGY: 424800 4084.6325 20554.3355 14475.4190 235.0345 -203522.0699 2405.0298 0.0000 0.0000 51999.7226 -109767.8960 298.8431 -161767.6186 -109410.6929 298.8195 -104.9508 -80.1742 759202.3250 -1.1478 -1.0352 PRESSURE: 425000 -214.633 -213.329 37.6191 -213.329 -394.128 41.9526 37.6188 41.9522 -114.635 GPRESSURE: 425000 -216.058 -163.77 62.9475 -205.095 -367.417 -14.6433 61.5457 -152.525 -35.689 PRESSAVG: 425000 -30.0261 -17.1851 10.9536 -17.1851 -4.14434 22.6668 10.9536 22.6668 2.65957 GPRESSAVG: 425000 -30.0991 -16.9914 12.2881 -17.3994 -3.64264 21.5434 10.0604 21.3069 2.16291 TIMING: 425000 CPU: 1404.65, 0.00315178/step Wall: 1404.65, 0.00315178/step, 4.00539 hours remaining, 232.156250 MB of memory in use. ENERGY: 425000 4086.8390 20463.6355 14549.6032 239.7026 -203458.9288 2280.0666 0.0000 0.0000 51931.1091 -109907.9727 298.4488 -161839.0818 -109545.8213 298.6452 -241.1317 -206.3881 758775.2985 -10.5036 -10.5263 PRESSURE: 425200 121.264 -46.9368 -307.984 -46.9358 172.866 138.188 -307.984 138.187 207.465 GPRESSURE: 425200 97.3364 19.1317 -372.11 -98.9103 311.91 255.912 -313.413 91.9723 172.124 PRESSAVG: 425200 -25.7107 -16.3382 -51.7146 -16.3382 50.1336 16.6305 -51.7145 16.6305 -8.43247 GPRESSAVG: 425200 -26.9417 -14.5915 -55.1348 -17.4873 51.1998 19.4129 -53.78 14.8731 -8.30908 TIMING: 425200 CPU: 1405.31, 0.00328235/step Wall: 1405.31, 0.00328235/step, 4.17114 hours remaining, 232.156250 MB of memory in use. ENERGY: 425200 3966.1040 20502.6682 14514.1334 262.9024 -203696.8365 2676.8883 0.0000 0.0000 52023.4747 -109750.6656 298.9796 -161774.1402 -109388.5502 298.9864 167.1980 193.7902 758603.0750 5.3301 5.3163 PRESSURE: 425400 -420.85 -9.30767 68.8853 -9.30743 127.142 -119.076 68.8853 -119.076 366.783 GPRESSURE: 425400 -208.872 -33.0726 23.8236 4.12606 46.258 -113.532 86.2096 7.05695 325.971 PRESSAVG: 425400 -23.2492 -2.25913 -22.4687 -2.25911 29.2982 -33.6754 -22.4686 -33.6754 1.87845 GPRESSAVG: 425400 -22.4654 -2.24996 -20.2259 -1.33514 27.3402 -34.6239 -20.506 -30.6222 2.72996 TIMING: 425400 CPU: 1405.93, 0.00312927/step Wall: 1405.93, 0.00312927/step, 3.97644 hours remaining, 232.156250 MB of memory in use. ENERGY: 425400 3992.9208 20427.6245 14460.0830 246.5677 -203565.6947 2458.9050 0.0000 0.0000 52244.9849 -109734.6089 300.2526 -161979.5938 -109371.2103 299.3914 24.3581 54.4521 760160.2018 2.6425 2.5349 PRESSURE: 425600 260.642 -11.6282 257.756 -11.6292 -97.8591 -21.3274 257.757 -21.3276 -381.51 GPRESSURE: 425600 243.828 -90.053 349.517 -9.04571 -100.265 -93.856 199.708 -89.9223 -280.626 PRESSAVG: 425600 -39.0027 -26.1762 -27.7619 -26.1762 21.8145 -0.213949 -27.7619 -0.213979 2.32753 GPRESSAVG: 425600 -37.9786 -25.6292 -28.7562 -26.9212 21.9668 -0.367054 -29.4937 -0.0589175 1.54577 TIMING: 425600 CPU: 1406.56, 0.00311457/step Wall: 1406.56, 0.00311457/step, 3.95758 hours remaining, 232.156250 MB of memory in use. ENERGY: 425600 4046.4617 20667.7544 14468.6627 255.8417 -203697.3235 2614.4977 0.0000 0.0000 51938.0462 -109706.0592 298.4887 -161644.1053 -109344.2353 299.0311 -72.9090 -45.6877 758067.0702 -4.9536 -4.8220 PRESSURE: 425800 -176.677 159.973 -56.4385 159.973 -50.0221 -13.7436 -56.4389 -13.7446 94.5203 GPRESSURE: 425800 -220.147 97.8232 -142.133 168.232 50.4645 -77.6706 12.7722 61.7729 110.045 PRESSAVG: 425800 -6.80284 -4.12507 34.1846 -4.12504 27.6541 -38.4723 34.1846 -38.4724 -10.1507 GPRESSAVG: 425800 -7.95276 -4.48365 34.702 -4.16777 28.11 -39.3772 34.2434 -38.9986 -9.8937 TIMING: 425800 CPU: 1407.18, 0.00312818/step Wall: 1407.18, 0.00312818/step, 3.9747 hours remaining, 232.156250 MB of memory in use. ENERGY: 425800 4012.7582 20515.9475 14464.2241 267.5736 -203279.1543 2109.0708 0.0000 0.0000 52114.7154 -109794.8647 299.5040 -161909.5801 -109427.2037 299.2546 -44.0594 -19.8791 759622.3087 3.5669 3.4212 PRESSURE: 426000 -260.452 -106.332 -27.4988 -106.332 -464.679 -213.1 -27.4979 -213.1 -141.636 GPRESSURE: 426000 -188.124 -50.4085 -39.9203 -145.413 -463.436 -229.437 204.348 37.1337 -128.798 PRESSAVG: 426000 -31.3644 -12.3348 -6.02009 -12.3347 64.5661 -2.257 -6.02015 -2.25697 -14.9279 GPRESSAVG: 426000 -32.0592 -12.4239 -4.78905 -13.9166 64.7541 -1.23794 -3.38167 -4.06979 -14.5661 TIMING: 426000 CPU: 1407.81, 0.00312383/step Wall: 1407.81, 0.00312383/step, 3.969 hours remaining, 232.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 426000 4014.5875 20454.7314 14443.2147 242.6691 -203554.2332 2378.8762 0.0000 0.0000 52225.2908 -109794.8635 300.1395 -162020.1543 -109416.4064 299.0117 -288.9222 -260.1193 760138.0164 6.0913 6.0429 PRESSURE: 426200 -327.232 -166.563 3.04838 -166.562 132.733 -142.141 3.04848 -142.141 -693.627 GPRESSURE: 426200 -159.362 -311.451 -0.567852 -164.632 65.4712 -192.141 20.4994 -107.356 -717.567 PRESSAVG: 426200 5.96777 -59.8053 -20.3513 -59.8053 -34.378 14.711 -20.3513 14.7111 25.693 GPRESSAVG: 426200 7.19334 -59.1591 -20.3681 -58.7657 -35.3168 13.1561 -22.2096 17.372 24.996 TIMING: 426200 CPU: 1408.44, 0.00314521/step Wall: 1408.44, 0.00314521/step, 3.996 hours remaining, 232.156250 MB of memory in use. ENERGY: 426200 4046.1284 20423.9601 14469.4336 253.6024 -203420.8588 2270.1694 0.0000 0.0000 52308.7689 -109648.7962 300.6192 -161957.5650 -109277.3966 298.9424 -296.0423 -270.4859 760048.2178 -0.9058 -1.0425 PRESSURE: 426400 -297.076 -138.758 -308.736 -138.758 -356.132 41.0757 -308.737 41.0761 -257.703 GPRESSURE: 426400 -327.645 -242.582 -282.303 -82.1966 -286.34 -15.7729 -247.085 13.9787 -217.443 PRESSAVG: 426400 26.3577 -12.1352 14.2766 -12.1352 22.0798 6.8331 14.2766 6.83303 -8.16227 GPRESSAVG: 426400 25.7975 -13.0383 12.6355 -9.70415 22.3038 8.43325 13.4722 5.80963 -8.03602 TIMING: 426400 CPU: 1409.06, 0.00313593/step Wall: 1409.06, 0.00313593/step, 3.98403 hours remaining, 232.156250 MB of memory in use. ENERGY: 426400 4053.6921 20572.8836 14459.3166 248.4720 -203330.9681 2153.8654 0.0000 0.0000 52233.8511 -109608.8872 300.1887 -161842.7383 -109247.8719 299.0967 -303.6368 -277.1427 759776.5407 13.4251 13.3551 PRESSURE: 426600 174.69 24.778 -235.146 24.7784 139.344 173.45 -235.146 173.451 -306.709 GPRESSURE: 426600 161.721 -71.6834 -227.848 -1.99701 150.864 145.592 -212.442 195.417 -229.198 PRESSAVG: 426600 -31.8089 -22.9786 5.17394 -22.9786 54.8766 48.2566 5.17394 48.2566 27.626 GPRESSAVG: 426600 -32.3824 -22.4634 7.82643 -24.5315 55.79 47.6371 4.07835 48.8002 26.7188 TIMING: 426600 CPU: 1409.7, 0.00316028/step Wall: 1409.7, 0.00316027/step, 4.01478 hours remaining, 232.156250 MB of memory in use. ENERGY: 426600 3906.9424 20553.6423 14501.5077 232.4192 -203585.0007 2610.6671 0.0000 0.0000 52060.9447 -109718.8773 299.1950 -161779.8220 -109346.9722 298.9989 2.4418 27.7956 759019.6281 16.8979 16.7088 PRESSURE: 426800 68.5025 191.738 59.1769 191.738 233.088 -62.8961 59.1774 -62.8951 33.6206 GPRESSURE: 426800 25.402 89.4505 108.42 83.9973 290.681 -105.816 85.4733 34.1788 108.488 PRESSAVG: 426800 -60.5966 -57.8349 -8.55542 -57.8349 27.1175 32.5561 -8.5554 32.5562 -17.203 GPRESSAVG: 426800 -59.1633 -59.0819 -11.1159 -57.6076 25.8109 32.296 -6.9054 31.4619 -17.105 TIMING: 426800 CPU: 1410.33, 0.00314634/step Wall: 1410.33, 0.00314634/step, 3.99691 hours remaining, 232.156250 MB of memory in use. ENERGY: 426800 3952.8485 20510.9052 14425.2084 263.2030 -203344.5998 2367.8863 0.0000 0.0000 52152.1861 -109672.3623 299.7193 -161824.5484 -109304.8794 298.7481 111.7372 141.5236 759960.6212 -16.8940 -16.8191 PRESSURE: 427000 151.043 13.6963 -174.185 13.6956 223.626 -19.4401 -174.185 -19.4393 -30.5688 GPRESSURE: 427000 157.782 -38.5437 -153.052 21.1519 306.283 47.7448 -123.643 -54.7862 -39.7825 PRESSAVG: 427000 -5.06237 -61.9974 -33.5036 -61.9975 -9.93313 34.7642 -33.5036 34.7642 -11.475 GPRESSAVG: 427000 -7.13645 -59.8225 -32.3068 -63.0278 -8.30674 36.3314 -33.5047 31.7784 -10.9324 TIMING: 427000 CPU: 1410.95, 0.00314827/step Wall: 1410.95, 0.00314827/step, 3.99918 hours remaining, 232.156250 MB of memory in use. ENERGY: 427000 3994.6851 20414.2406 14420.3301 277.0465 -203676.6274 2865.2507 0.0000 0.0000 52147.4746 -109557.5998 299.6923 -161705.0744 -109198.6813 299.1884 114.7002 141.4277 760057.1542 -8.8235 -8.7919 PRESSURE: 427200 369.67 -178.495 94.5285 -178.495 -164.858 -107.572 94.5279 -107.572 36.033 GPRESSURE: 427200 377.64 -203.949 70.3048 -240.148 -134.781 -61.0459 74.0821 -71.3431 61.8456 PRESSAVG: 427200 -110.654 -25.0082 -18.2659 -25.0082 98.5091 55.4614 -18.2659 55.4615 5.11889 GPRESSAVG: 427200 -109.092 -26.2708 -18.2028 -23.7196 97.1548 53.4887 -19.0015 57.7769 4.47113 TIMING: 427200 CPU: 1411.58, 0.00314777/step Wall: 1411.58, 0.00314777/step, 3.99837 hours remaining, 232.156250 MB of memory in use. ENERGY: 427200 3968.3796 20403.1573 14401.1933 265.7780 -203915.8700 3081.3212 0.0000 0.0000 52180.3160 -109615.7246 299.8810 -161796.0406 -109256.6420 298.9389 80.2818 101.5682 759345.7887 -2.3421 -2.4888 PRESSURE: 427400 -232.048 -127.1 12.4055 -127.101 -181.34 16.865 12.4053 16.8649 -180.425 GPRESSURE: 427400 -73.7677 -97.5975 82.8481 29.6228 -204.82 -1.94675 44.2545 75.4091 -233.35 PRESSAVG: 427400 -37.4758 -6.53925 7.97745 -6.53924 61.0502 -22.7914 7.9775 -22.7914 -6.37458 GPRESSAVG: 427400 -38.1187 -5.81137 7.84546 -6.94227 60.8415 -23.061 7.65572 -22.3169 -5.64835 TIMING: 427400 CPU: 1412.21, 0.00313593/step Wall: 1412.21, 0.00313593/step, 3.98315 hours remaining, 232.156250 MB of memory in use. ENERGY: 427400 4069.6081 20536.4978 14450.2213 247.7347 -203619.9780 2707.4666 0.0000 0.0000 52197.1249 -109411.3246 299.9776 -161608.4496 -109043.9108 299.3405 -197.9378 -170.6458 760583.0815 5.7333 5.6915 PRESSURE: 427600 -129.646 158.092 76.5921 158.091 22.5278 -154.252 76.5919 -154.252 -370.502 GPRESSURE: 427600 -92.5493 160.388 81.4308 241.555 117.351 -144.867 45.2006 -182.746 -397.022 PRESSAVG: 427600 -70.5528 0.921408 47.6368 0.921349 103.937 -52.3703 47.6368 -52.3703 24.1231 GPRESSAVG: 427600 -71.224 0.233234 46.6283 1.50771 105.409 -51.5288 48.9238 -52.6291 23.5607 TIMING: 427600 CPU: 1412.84, 0.00314465/step Wall: 1412.84, 0.00314465/step, 3.99405 hours remaining, 232.156250 MB of memory in use. ENERGY: 427600 4086.2634 20478.4556 14548.6457 241.1108 -203409.6653 2688.4482 0.0000 0.0000 51958.1178 -109408.6238 298.6040 -161366.7416 -109052.6768 299.6083 -159.2069 -124.0733 759726.8944 19.1692 19.2486 PRESSURE: 427800 -306.101 -141.751 0.0305372 -141.75 -6.85033 43.5087 0.030232 43.5091 156.703 GPRESSURE: 427800 -253.24 -87.4138 -2.51168 -199.378 6.36261 79.6678 -48.6433 103.043 140.821 PRESSAVG: 427800 -40.3795 24.1913 -43.501 24.1913 80.3941 -21.3431 -43.501 -21.3431 -8.07744 GPRESSAVG: 427800 -39.0783 26.1044 -44.4902 24.0511 79.6366 -21.4081 -46.136 -22.7009 -8.94449 TIMING: 427800 CPU: 1413.47, 0.00315417/step Wall: 1413.47, 0.00315417/step, 4.00597 hours remaining, 232.156250 MB of memory in use. ENERGY: 427800 4030.2417 20671.2967 14497.1211 267.1554 -202968.6612 2424.0960 0.0000 0.0000 51775.8754 -109302.8748 297.5567 -161078.7502 -108944.3841 299.5953 -52.0829 -35.3523 761673.8645 10.6457 10.5379 PRESSURE: 428000 -177.294 -116.944 -25.9927 -116.943 -0.994044 127.433 -25.9933 127.433 -45.9689 GPRESSURE: 428000 -105.432 -265.254 -31.8096 -96.6031 57.1959 169.572 30.5481 68.3935 -69.2438 PRESSAVG: 428000 -30.2191 49.8232 -46.3076 49.8232 34.245 -12.5954 -46.3076 -12.5955 -9.07129 GPRESSAVG: 428000 -30.3067 46.7355 -44.5252 52.0436 34.8205 -13.3329 -44.1001 -11.2499 -9.61702 TIMING: 428000 CPU: 1414.1, 0.00315941/step Wall: 1414.1, 0.00315941/step, 4.01246 hours remaining, 232.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 428000 4020.3626 20665.0799 14489.0614 259.0239 -203549.6807 2590.1255 0.0000 0.0000 51942.9157 -109583.1116 298.5167 -161526.0273 -109226.9531 299.2757 -74.7522 -39.1600 760749.1276 -1.6818 -1.7011 PRESSURE: 428200 -380.222 -77.3706 -20.7582 -77.3701 -7.2165 -23.7297 -20.7581 -23.7299 -188.175 GPRESSURE: 428200 -323.523 -186.506 -38.9527 -74.8436 25.5292 -28.834 -14.3051 -65.8255 -161.638 PRESSAVG: 428200 -2.19683 -18.0147 -29.6675 -18.0148 18.2692 -56.9476 -29.6676 -56.9477 -2.86191 GPRESSAVG: 428200 -2.14864 -17.0241 -28.5437 -18.275 16.6308 -58.0378 -30.6946 -55.971 -1.36305 TIMING: 428200 CPU: 1414.73, 0.00314398/step Wall: 1414.73, 0.00314399/step, 3.99269 hours remaining, 232.156250 MB of memory in use. ENERGY: 428200 3936.3066 20513.3993 14494.1701 257.0994 -203118.1447 2457.9180 0.0000 0.0000 52062.4956 -109396.7558 299.2039 -161459.2514 -109034.8529 299.1606 -191.8710 -153.2105 758591.0901 4.4035 4.3730 LDB: ============= START OF LOAD BALANCING ============== 1427.15 LDB: ============== END OF LOAD BALANCING =============== 1427.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1427.15 LDB: ============= START OF LOAD BALANCING ============== 1427.46 LDB: Largest compute 7058 load 0.033699 is 17.3% of average load 0.195128 LDB: Average compute 0.004399 is 2.3% of average load 0.195128 LDB: TIME 1427.47 LOAD: AVG 0.195128 MAX 0.214879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.074 MB LDB: TIME 1427.47 LOAD: AVG 0.195128 MAX 0.214879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.074 MB LDB: TIME 1427.47 LOAD: AVG 0.195128 MAX 0.214879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.074 MB LDB: ============== END OF LOAD BALANCING =============== 1427.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1427.47 PRESSURE: 428400 -101.027 77.1202 -202.417 77.1201 -309.154 -7.1256 -202.416 -7.1269 -118.667 GPRESSURE: 428400 -54.2324 -22.6516 -235.895 58.0679 -244.927 -9.28804 -75.3896 98.6497 -133.911 PRESSAVG: 428400 -33.1006 -36.0128 -13.9219 -36.0129 -13.1366 11.0825 -13.9218 11.0825 -18.8923 GPRESSAVG: 428400 -32.5644 -34.8545 -15.9916 -38.8225 -13.0436 12.2554 -11.4729 9.41054 -19.7981 TIMING: 428400 CPU: 1415.37, 0.00318364/step Wall: 1415.37, 0.00318363/step, 4.04286 hours remaining, 230.363281 MB of memory in use. ENERGY: 428400 4053.9392 20316.5864 14544.8177 227.6767 -202691.7409 2240.7004 0.0000 0.0000 52032.6584 -109275.3622 299.0324 -161308.0206 -108916.2064 299.4072 -176.2828 -144.3567 761152.7078 -21.7099 -21.8020 PRESSURE: 428600 121.616 -229.911 1.22918 -229.911 148.607 -130.056 1.22848 -130.056 656.082 GPRESSURE: 428600 182.004 -66.434 -64.7189 -275.924 251.591 -117.196 -144.659 6.42843 578.12 PRESSAVG: 428600 -36.1432 -12.5998 14.1957 -12.5998 65.0585 14.8977 14.1957 14.8976 4.07833 GPRESSAVG: 428600 -36.3237 -13.6146 14.0026 -11.9731 65.2824 15.5909 12.5807 14.8164 4.01842 TIMING: 428600 CPU: 1416, 0.00313843/step Wall: 1416, 0.00313843/step, 3.98529 hours remaining, 230.363281 MB of memory in use. ENERGY: 428600 4000.5723 20596.8699 14583.1746 241.6940 -203141.1404 2387.2621 0.0000 0.0000 51975.1768 -109356.3908 298.7021 -161331.5675 -108998.8978 299.2775 308.7682 337.2381 758388.6615 10.9979 10.9924 PRESSURE: 428800 -282.302 35.6564 42.4432 35.6567 25.445 85.5292 42.4435 85.5302 -453.041 GPRESSURE: 428800 -323.045 140.629 12.1844 42.0442 51.6879 210.562 90.2685 106.376 -347.133 PRESSAVG: 428800 -37.5936 -4.58066 -44.5971 -4.58066 46.4467 -22.525 -44.5971 -22.525 24.5197 GPRESSAVG: 428800 -38.3306 -3.73334 -44.7683 -2.47905 46.3041 -23.8839 -44.7106 -21.7723 24.978 TIMING: 428800 CPU: 1416.63, 0.00315429/step Wall: 1416.63, 0.00315429/step, 4.00525 hours remaining, 230.363281 MB of memory in use. ENERGY: 428800 3983.2045 20333.8009 14525.0956 235.9911 -202962.0164 2345.9177 0.0000 0.0000 51987.9072 -109550.0993 298.7752 -161538.0065 -109193.5592 299.5509 -236.6328 -206.1636 762129.6780 11.1243 10.9838 PRESSURE: 429000 217.912 -111.303 145.6 -111.304 190.006 82.9653 145.599 82.9654 79.5708 GPRESSURE: 429000 232.044 -110.32 53.5958 -58.4466 260.095 29.4708 214.17 115.965 89.7536 PRESSAVG: 429000 -23.6806 -29.3598 15.6043 -29.3598 49.0544 16.9159 15.6043 16.9159 0.0498898 GPRESSAVG: 429000 -22.1189 -29.1553 15.2195 -30.841 48.0912 17.2523 15.8719 15.1549 -0.234147 TIMING: 429000 CPU: 1417.26, 0.0031476/step Wall: 1417.26, 0.0031476/step, 3.99657 hours remaining, 230.363281 MB of memory in use. ENERGY: 429000 4002.7535 20518.3603 14495.9751 261.3865 -203765.2078 2732.8622 0.0000 0.0000 52112.5822 -109641.2880 299.4917 -161753.8702 -109278.1727 299.2132 162.4963 193.9641 759732.7342 8.4746 8.5794 PRESSURE: 429200 -52.7647 35.9456 49.8063 35.9456 -210.128 -3.1052 49.8069 -3.10523 191.974 GPRESSURE: 429200 -71.0697 -70.3782 86.1107 173.659 -77.0769 32.8154 31.6019 -74.2209 159.422 PRESSAVG: 429200 -51.1794 16.0358 14.7367 16.0358 66.9197 -47.6448 14.7368 -47.6447 -27.0906 GPRESSAVG: 429200 -51.1439 13.5868 16.6477 17.7555 67.7017 -46.2392 15.0039 -47.592 -27.3537 TIMING: 429200 CPU: 1417.88, 0.00312304/step Wall: 1417.88, 0.00312304/step, 3.96522 hours remaining, 230.363281 MB of memory in use. ENERGY: 429200 4018.8562 20493.0683 14453.8927 248.8741 -203761.8667 2897.7675 0.0000 0.0000 52073.5809 -109575.8270 299.2676 -161649.4079 -109217.4196 299.2724 -23.6397 3.7583 760108.9317 -3.7834 -3.5987 PRESSURE: 429400 -86.9892 -361.931 17.0321 -361.931 -93.1153 -121.439 17.0314 -121.439 -135.993 GPRESSURE: 429400 -60.1178 -240.38 -62.81 -311.552 -108.478 -154.797 10.5636 -69.11 -96.5729 PRESSAVG: 429400 8.46271 -67.3134 -6.86135 -67.3135 8.36383 -6.60673 -6.86134 -6.60672 19.557 GPRESSAVG: 429400 7.68881 -64.7555 -8.12891 -68.3197 9.01282 -9.21261 -5.30938 -4.80352 20.2698 TIMING: 429400 CPU: 1418.51, 0.00313505/step Wall: 1418.51, 0.00313505/step, 3.98029 hours remaining, 230.363281 MB of memory in use. ENERGY: 429400 3982.9445 20606.5531 14462.6557 245.0940 -203230.5400 2405.2057 0.0000 0.0000 51824.3839 -109703.7031 297.8354 -161528.0870 -109333.8420 298.7395 -105.3659 -88.3894 761503.8858 12.1279 12.3238 PRESSURE: 429600 -139.106 89.5136 112.542 89.5142 26.2269 93.3464 112.543 93.3471 266.863 GPRESSURE: 429600 -38.1053 86.2015 146.127 63.1419 85.9668 102.093 168.695 50.2694 204.376 PRESSAVG: 429600 -11.5902 -58.9442 2.18429 -58.9442 30.6665 19.5449 2.18426 19.5449 9.34997 GPRESSAVG: 429600 -11.4634 -58.4345 1.48176 -61.0248 29.6406 21.9724 1.47712 19.2827 9.55616 TIMING: 429600 CPU: 1419.14, 0.00314941/step Wall: 1419.14, 0.00314941/step, 3.99835 hours remaining, 230.363281 MB of memory in use. ENERGY: 429600 3982.1051 20452.0828 14439.4932 251.5152 -203251.1591 2391.5901 0.0000 0.0000 52060.8614 -109673.5112 299.1945 -161734.3726 -109316.6943 298.7214 51.3277 84.0791 758507.8962 9.4754 9.2445 PRESSURE: 429800 -374.884 150.676 27.1137 150.675 -271.762 29.8989 27.1141 29.9005 113.478 GPRESSURE: 429800 -355.015 113.686 101.656 10.4818 -213.918 -79.9363 69.5294 -6.93224 127.295 PRESSAVG: 429800 -61.3068 -19.5712 26.3761 -19.5713 72.6073 58.9247 26.3761 58.9247 21.0436 GPRESSAVG: 429800 -60.8721 -20.3482 27.68 -17.553 72.2792 57.7116 25.6792 58.3233 20.7758 TIMING: 429800 CPU: 1419.77, 0.00313909/step Wall: 1419.77, 0.00313909/step, 3.98507 hours remaining, 230.363281 MB of memory in use. ENERGY: 429800 4009.8180 20525.9474 14559.4019 248.0308 -203318.0592 2307.5646 0.0000 0.0000 52039.6760 -109627.6206 299.0727 -161667.2966 -109268.3044 298.8011 -177.7224 -147.2128 760472.9617 10.7814 10.7276 PRESSURE: 430000 40.7327 -222.323 17.243 -222.322 329.053 -137.349 17.2435 -137.348 130.882 GPRESSURE: 430000 147.236 -232.322 -110.528 -208.555 276.363 -120.295 -65.3919 -125.368 161.937 PRESSAVG: 430000 12.7471 -15.8999 44.5267 -15.8999 -78.9729 15.3505 44.5267 15.3505 -14.8478 GPRESSAVG: 430000 11.489 -14.1178 43.1821 -20.6248 -78.174 15.5871 45.376 16.5592 -15.0215 TIMING: 430000 CPU: 1420.39, 0.00313111/step Wall: 1420.39, 0.00313111/step, 3.97477 hours remaining, 230.363281 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: 430000 4029.7768 20359.9391 14416.8677 244.1236 -204142.7594 2917.6704 0.0000 0.0000 52204.9272 -109969.4547 300.0224 -162174.3818 -109609.1712 298.8213 166.8893 195.1786 759512.1031 -27.0245 -27.2355 PRESSURE: 430200 -216.259 61.2525 167.184 61.2533 -1.93008 -48.8165 167.184 -48.8178 138.598 GPRESSURE: 430200 -134.433 63.4897 93.6853 61.2887 -8.58575 -64.4223 146.321 69.0339 157.17 PRESSAVG: 430200 -41.2486 12.9204 -8.00509 12.9204 27.6389 7.19401 -8.00512 7.19405 -12.4949 GPRESSAVG: 430200 -41.0522 11.5832 -7.36199 15.0335 27.3628 7.70591 -7.89458 5.85548 -12.492 TIMING: 430200 CPU: 1421.02, 0.00314066/step Wall: 1421.02, 0.00314066/step, 3.98672 hours remaining, 230.363281 MB of memory in use. ENERGY: 430200 3990.6593 20436.8262 14475.2842 259.7526 -203340.5410 2538.5686 0.0000 0.0000 51767.4787 -109871.9714 297.5084 -161639.4501 -109516.1857 298.6632 -26.5304 4.7168 760267.5560 -8.7015 -8.7271 PRESSURE: 430400 3.04182 -120.939 146.079 -120.939 286.331 57.0598 146.079 57.0592 186.875 GPRESSURE: 430400 60.4334 -155.882 183.743 -74.0402 242.633 110.476 86.5413 -8.0213 259.56 PRESSAVG: 430400 -58.603 -20.0735 3.85435 -20.0735 31.6948 8.73715 3.85434 8.73713 8.82091 GPRESSAVG: 430400 -57.3819 -20.4867 4.13781 -19.0133 31.1955 9.98228 4.15834 9.58562 8.70181 TIMING: 430400 CPU: 1421.65, 0.00313372/step Wall: 1421.65, 0.00313372/step, 3.97773 hours remaining, 230.363281 MB of memory in use. ENERGY: 430400 3827.7636 20400.0155 14487.1392 267.4136 -203686.7520 2639.5895 0.0000 0.0000 52055.1482 -110009.6824 299.1617 -162064.8306 -109634.2453 298.5668 158.7493 187.5424 760245.3001 -6.0291 -5.8282 PRESSURE: 430600 -161.939 173.636 -121.864 173.636 -276.42 -219.16 -121.864 -219.159 -152.457 GPRESSURE: 430600 -107.193 139.708 -144.845 252.594 -205.661 -172.65 -138.51 -133.85 -173.11 PRESSAVG: 430600 -48.2815 -31.8654 -35.1247 -31.8654 55.2061 26.2495 -35.1247 26.2496 -1.81778 GPRESSAVG: 430600 -49.0083 -32.1847 -35.7232 -30.3423 55.5866 25.6846 -35.0594 25.4765 -1.64282 TIMING: 430600 CPU: 1422.28, 0.00316149/step Wall: 1422.28, 0.00316149/step, 4.01281 hours remaining, 230.363281 MB of memory in use. ENERGY: 430600 3975.3160 20435.6450 14468.9599 242.7822 -203468.3931 2564.1625 0.0000 0.0000 51685.4888 -110096.0387 297.0372 -161781.5275 -109734.9936 298.1837 -196.9383 -161.9880 759081.5160 1.7023 1.6451 PRESSURE: 430800 -96.1728 -130.427 -148.759 -130.426 263.957 -95.6481 -148.758 -95.6486 100.222 GPRESSURE: 430800 -110.713 -153.725 -54.5386 -182.086 244.3 -124.305 -209.476 -96.5059 202.506 PRESSAVG: 430800 -36.1775 -49.4039 34.3241 -49.4039 53.3942 15.5846 34.3241 15.5846 -2.65468 GPRESSAVG: 430800 -36.3216 -48.5178 35.4367 -50.5984 53.263 14.9795 33.3276 15.9934 -2.3494 TIMING: 430800 CPU: 1422.91, 0.00314799/step Wall: 1422.91, 0.00314799/step, 3.99549 hours remaining, 230.363281 MB of memory in use. ENERGY: 430800 3960.6463 20612.3649 14411.9931 240.1044 -203581.0720 2595.4974 0.0000 0.0000 51766.9585 -109993.5074 297.5054 -161760.4659 -109634.0858 298.1768 89.3352 112.0311 760438.0058 4.8540 4.8640 PRESSURE: 431000 179.889 -122.435 90.8526 -122.436 -153.135 164.464 90.8522 164.463 378.738 GPRESSURE: 431000 166.412 -111.453 111.827 -70.0089 -84.8977 210.921 128.765 121.643 415.108 PRESSAVG: 431000 -11.8403 -71.3737 -32.5082 -71.3738 23.1746 9.99339 -32.5082 9.99344 13.8629 GPRESSAVG: 431000 -11.0444 -70.8562 -32.2837 -71.1322 22.2819 10.7054 -32.1541 8.99471 13.5943 TIMING: 431000 CPU: 1423.54, 0.00314616/step Wall: 1423.54, 0.00314616/step, 3.993 hours remaining, 230.363281 MB of memory in use. ENERGY: 431000 3896.9550 20479.4462 14402.5093 260.5821 -203868.8698 2881.5586 0.0000 0.0000 51750.5357 -110197.2829 297.4110 -161947.8186 -109837.6318 297.6158 135.1638 165.5409 760062.2380 8.3991 8.2773 PRESSURE: 431200 402.457 35.9242 11.5586 35.925 120.056 -181.999 11.5593 -181.998 -80.8667 GPRESSURE: 431200 392.84 5.08287 -43.7523 -64.4813 165.994 -159.488 61.0889 -93.2874 -36.0541 PRESSAVG: 431200 -19.7304 17.2793 61.2554 17.2793 -5.75305 24.784 61.2555 24.784 6.35098 GPRESSAVG: 431200 -19.5103 16.5042 60.9516 17.7892 -6.7445 23.8386 58.9715 27.1755 7.08261 TIMING: 431200 CPU: 1424.17, 0.00316389/step Wall: 1424.17, 0.00316389/step, 4.01532 hours remaining, 230.363281 MB of memory in use. ENERGY: 431200 4024.9076 20575.5466 14393.3651 233.0156 -203536.1854 2522.9882 0.0000 0.0000 51749.9772 -110036.3851 297.4078 -161786.3623 -109681.5447 298.0546 147.2157 174.2597 760924.3866 -6.3775 -6.3907 PRESSURE: 431400 239.017 129.503 145.393 129.503 375.953 -171.568 145.393 -171.569 422.814 GPRESSURE: 431400 290.9 217.932 201.303 43.6785 435.247 -166.738 210.474 -116.771 413.613 PRESSAVG: 431400 -12.0653 17.6916 16.1714 17.6916 42.6364 -14.1392 16.1714 -14.1392 1.71923 GPRESSAVG: 431400 -13.5573 16.7628 16.0726 17.7156 44.1648 -13.2274 19.3044 -17.1721 0.994517 TIMING: 431400 CPU: 1424.8, 0.00313782/step Wall: 1424.8, 0.00313782/step, 3.98206 hours remaining, 230.363281 MB of memory in use. ENERGY: 431400 3887.6752 20524.7680 14420.9854 264.5484 -203841.9054 2676.7220 0.0000 0.0000 52021.4050 -110045.8013 298.9677 -162067.2063 -109675.5838 298.5349 345.9280 379.9202 758507.9772 10.7634 10.5340 PRESSURE: 431600 -86.3952 207.014 -86.0424 207.015 82.2321 43.0547 -86.0415 43.0572 10.0814 GPRESSURE: 431600 -136.621 103.243 -4.32746 219.176 178.509 31.0834 -80.6417 247.327 36.7137 PRESSAVG: 431600 -22.0964 -15.7974 1.29439 -15.7975 27.1291 15.8437 1.29435 15.8438 2.52516 GPRESSAVG: 431600 -22.1862 -19.5318 -0.0140007 -15.1599 28.4485 15.1016 1.25912 17.5048 1.47124 TIMING: 431600 CPU: 1425.43, 0.00314945/step Wall: 1425.43, 0.00314945/step, 3.99665 hours remaining, 230.363281 MB of memory in use. ENERGY: 431600 3977.3684 20351.2472 14404.7910 250.4540 -203416.4980 2532.2609 0.0000 0.0000 52081.3845 -109818.9919 299.3124 -161900.3765 -109451.9750 298.5123 1.9728 26.2005 759308.5383 2.5193 2.5778 PRESSURE: 431800 14.2831 -86.9834 -192.698 -86.9839 -165.266 -143.158 -192.698 -143.157 -14.072 GPRESSURE: 431800 63.5013 -58.3573 -166.779 -154.11 -131.105 -194.157 -125.777 0.722022 1.19742 PRESSAVG: 431800 -31.7923 -66.6538 12.0906 -66.6538 -25.6632 39.4855 12.0905 39.4855 -16.6938 GPRESSAVG: 431800 -32.1731 -62.5051 13.8279 -66.8671 -27.0007 38.9915 10.9525 39.6974 -14.4103 TIMING: 431800 CPU: 1426.05, 0.00313202/step Wall: 1426.05, 0.00313202/step, 3.97436 hours remaining, 230.363281 MB of memory in use. ENERGY: 431800 3951.7342 20871.6854 14395.1235 243.5668 -203481.2753 2381.1241 0.0000 0.0000 52040.3155 -109597.7258 299.0764 -161638.0412 -109237.2055 299.1713 -55.0182 -22.1353 760372.5968 -24.7164 -24.5280 PRESSURE: 432000 -416.539 195.521 284.42 195.521 -51.353 -133.201 284.42 -133.2 -238.806 GPRESSURE: 432000 -463.761 112.224 300.46 301.813 13.6762 -220.213 239.905 40.4897 -171.546 PRESSAVG: 432000 -39.8143 -56.4851 7.86302 -56.4851 22.6692 -21.0005 7.86303 -21.0006 -28.2006 GPRESSAVG: 432000 -39.8125 -57.2283 7.59297 -54.574 22.4354 -20.6782 9.85513 -21.6598 -28.5553 TIMING: 432000 CPU: 1426.69, 0.00315525/step Wall: 1426.69, 0.00315525/step, 4.00366 hours remaining, 230.363281 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: 432000 4070.2800 20545.0913 14452.6484 245.8847 -203453.0785 2473.4403 0.0000 0.0000 52008.4762 -109657.2576 298.8934 -161665.7338 -109287.5977 299.5043 -235.5660 -207.2102 759192.8673 -15.1152 -15.3108 PRESSURE: 432200 -71.9619 -298.45 -102.834 -298.45 21.8144 148.38 -102.833 148.379 -167.688 GPRESSURE: 432200 -37.5026 -210.081 -86.3472 -266.924 -33.8694 229.386 -105.78 257.914 -75.7761 PRESSAVG: 432200 -62.6307 -9.89575 47.7405 -9.89573 59.4344 14.1579 47.7405 14.1579 2.68776 GPRESSAVG: 432200 -62.514 -6.92744 49.1307 -12.2129 60.0231 14.784 43.7034 12.9508 1.89581 TIMING: 432200 CPU: 1427.31, 0.00313494/step Wall: 1427.31, 0.00313494/step, 3.97772 hours remaining, 230.363281 MB of memory in use. ENERGY: 432200 3981.7929 20627.9094 14437.9208 258.1711 -203697.0993 2539.6822 0.0000 0.0000 52086.2595 -109765.3634 299.3404 -161851.6229 -109399.3259 298.9515 -72.6119 -49.0494 758964.5272 -0.1695 -0.1984 LDB: ============= START OF LOAD BALANCING ============== 1439.73 LDB: ============== END OF LOAD BALANCING =============== 1439.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1439.74 LDB: ============= START OF LOAD BALANCING ============== 1440.05 LDB: Largest compute 7025 load 0.035426 is 18.2% of average load 0.195138 LDB: Average compute 0.004393 is 2.3% of average load 0.195138 LDB: TIME 1440.06 LOAD: AVG 0.195138 MAX 0.217173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1440.06 LOAD: AVG 0.195138 MAX 0.217173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: TIME 1440.06 LOAD: AVG 0.195138 MAX 0.217173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: ============== END OF LOAD BALANCING =============== 1440.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1440.06 PRESSURE: 432400 -160.027 5.7489 266.495 5.74901 125.678 12.4038 266.496 12.4037 588.941 GPRESSURE: 432400 -20.5338 -14.7284 291.898 22.337 79.7415 -23.0152 86.5015 -59.8224 581.633 PRESSAVG: 432400 -18.2113 -25.5011 26.9769 -25.5011 35.0825 50.0061 26.9768 50.0061 -1.56963 GPRESSAVG: 432400 -16.3445 -27.7151 25.9384 -24.7224 33.8901 49.0172 30.3509 49.7591 -2.25875 TIMING: 432400 CPU: 1427.96, 0.00321766/step Wall: 1427.96, 0.00321766/step, 4.0825 hours remaining, 231.656250 MB of memory in use. ENERGY: 432400 3872.4729 20611.6257 14538.9500 236.5539 -203685.1599 2560.1637 0.0000 0.0000 52101.2865 -109764.1072 299.4268 -161865.3937 -109401.3897 299.1390 184.8637 213.6135 758738.5327 5.1005 5.0956 PRESSURE: 432600 -153.069 -61.8548 168.376 -61.855 88.3553 -87.434 168.376 -87.435 208.043 GPRESSURE: 432600 -6.624 -178.353 170.941 -50.565 45.9524 -41.211 31.363 -106.631 185.864 PRESSAVG: 432600 11.6362 -59.3287 32.0248 -59.3286 -10.1637 -7.43684 32.0248 -7.43681 -8.83454 GPRESSAVG: 432600 11.0354 -59.9703 30.4558 -59.9914 -10.4114 -7.13269 30.7275 -4.59121 -8.17399 TIMING: 432600 CPU: 1428.59, 0.00315/step Wall: 1428.59, 0.00315/step, 3.99647 hours remaining, 231.656250 MB of memory in use. ENERGY: 432600 4015.7755 20484.3584 14467.5822 251.1945 -203413.2839 2515.3176 0.0000 0.0000 52016.6769 -109662.3788 298.9406 -161679.0557 -109302.1227 299.3429 47.7763 75.0642 759167.8841 -2.4540 -2.5167 PRESSURE: 432800 153.591 218.955 -286.46 218.955 123.851 8.81681 -286.46 8.81575 166.124 GPRESSURE: 432800 175.109 227.114 -229.781 152.423 193.569 152.496 -315.77 16.3352 147.768 PRESSAVG: 432800 -4.32267 -19.0797 -14.1617 -19.0797 19.9237 7.20344 -14.1617 7.20342 -1.10306 GPRESSAVG: 432800 -2.80904 -17.0837 -12.0318 -20.7961 19.2913 7.49171 -14.3058 3.58608 -1.51725 TIMING: 432800 CPU: 1429.21, 0.00312937/step Wall: 1429.21, 0.00312937/step, 3.97012 hours remaining, 231.656250 MB of memory in use. ENERGY: 432800 3986.6201 20641.4733 14498.8786 259.8451 -203604.4608 2533.5962 0.0000 0.0000 52120.3967 -109563.6507 299.5366 -161684.0475 -109212.1891 299.2228 147.8551 172.1484 759366.1482 4.8327 4.9883 PRESSURE: 433000 -158.076 -90.1707 -170.128 -90.1701 27.7631 19.7981 -170.128 19.7978 136.333 GPRESSURE: 433000 -88.2028 -4.55395 -64.0047 -28.5055 25.3102 -82.7406 -225.796 16.7122 150.078 PRESSAVG: 433000 36.9397 -14.3543 -12.7324 -14.3543 -37.5171 22.6026 -12.7324 22.6026 -5.63059 GPRESSAVG: 433000 36.4664 -14.5358 -12.5042 -11.4921 -36.6483 22.3218 -11.6876 23.4163 -5.66151 TIMING: 433000 CPU: 1429.84, 0.00314153/step Wall: 1429.84, 0.00314154/step, 3.98539 hours remaining, 231.656250 MB of memory in use. ENERGY: 433000 4024.0936 20700.7373 14422.0505 274.1195 -203570.8539 2580.3258 0.0000 0.0000 52217.2440 -109352.2833 300.0932 -161569.5273 -109003.6041 300.3738 2.0069 29.0619 762104.3828 -2.0693 -1.9478 PRESSURE: 433200 -138.159 -5.0061 261.534 -5.0054 189.486 229.287 261.534 229.288 -214.08 GPRESSURE: 433200 -90.7647 22.3366 298.916 34.7953 215.886 210.635 196.751 87.8968 -207.608 PRESSAVG: 433200 2.20252 7.1186 -25.9362 7.11862 27.7945 17.9491 -25.9363 17.9491 16.0866 GPRESSAVG: 433200 1.48601 9.64971 -24.9374 5.1758 28.8778 16.3086 -25.6289 19.2065 15.4865 TIMING: 433200 CPU: 1430.47, 0.00313812/step Wall: 1430.47, 0.00313812/step, 3.98088 hours remaining, 231.656250 MB of memory in use. ENERGY: 433200 4031.1446 20574.8516 14410.1897 236.5548 -203555.9731 2570.6953 0.0000 0.0000 52185.2069 -109547.3302 299.9091 -161732.5371 -109172.7618 299.6583 -54.2509 -27.4955 760872.4888 15.3612 15.2834 PRESSURE: 433400 -17.4259 -42.4934 -118.243 -42.4931 9.44239 -31.5043 -118.244 -31.5045 226.388 GPRESSURE: 433400 14.7441 -179.882 3.53098 -74.9817 64.1152 -81.1432 -220.032 91.5993 235.988 PRESSAVG: 433400 26.0348 27.0395 -48.0925 27.0395 -17.3529 -19.6176 -48.0925 -19.6177 0.963514 GPRESSAVG: 433400 24.796 24.045 -49.3911 26.6075 -16.2919 -19.3052 -48.9146 -20.448 1.48384 TIMING: 433400 CPU: 1431.1, 0.00314415/step Wall: 1431.1, 0.00314415/step, 3.98835 hours remaining, 231.656250 MB of memory in use. ENERGY: 433400 4076.1864 20520.1416 14448.3553 246.4366 -203337.8652 2588.1957 0.0000 0.0000 51969.6139 -109488.9358 298.6701 -161458.5497 -109135.7730 299.3378 72.8013 104.9491 759991.5257 3.2151 3.3293 PRESSURE: 433600 -264.414 158.695 64.784 158.696 -337.157 17.8888 64.7854 17.8886 127.155 GPRESSURE: 433600 -241.937 134.859 154.263 154.873 -240.093 -8.23509 -15.4168 -2.1008 73.1157 PRESSAVG: 433600 1.61905 23.4446 -17.4809 23.4446 3.12141 -39.6065 -17.4808 -39.6065 2.76952 GPRESSAVG: 433600 3.25466 23.4105 -18.2318 24.8981 1.92133 -39.0836 -16.4864 -38.5619 2.48187 TIMING: 433600 CPU: 1431.72, 0.0031346/step Wall: 1431.72, 0.0031346/step, 3.97607 hours remaining, 231.656250 MB of memory in use. ENERGY: 433600 3987.8704 20622.8057 14440.5979 237.3547 -203159.4778 2263.2071 0.0000 0.0000 52087.5386 -109520.1034 299.3478 -161607.6420 -109159.8268 299.2563 -158.1387 -136.3047 759813.7743 2.5033 2.5526 PRESSURE: 433800 294.079 -60.0494 -47.2539 -60.05 402.064 -48.8469 -47.2541 -48.8472 67.4848 GPRESSURE: 433800 345.755 85.9633 -43.8801 -38.4189 459.603 -54.9423 -68.9185 -103.162 56.8593 PRESSAVG: 433800 -32.7059 -61.1086 51.3055 -61.1087 17.0603 -20.5079 51.3054 -20.5079 -24.0167 GPRESSAVG: 433800 -33.4245 -60.3797 50.2611 -62.1344 17.4795 -20.1225 51.7638 -20.7964 -24.0824 TIMING: 433800 CPU: 1432.35, 0.00313364/step Wall: 1432.35, 0.00313364/step, 3.97468 hours remaining, 231.656250 MB of memory in use. ENERGY: 433800 3932.8645 20712.7328 14438.7965 235.8360 -203660.0761 2810.8044 0.0000 0.0000 52051.9227 -109477.1192 299.1431 -161529.0419 -109123.4024 300.0785 254.5424 287.4056 758888.9976 -13.2208 -13.3425 PRESSURE: 434000 -97.9604 -184.817 245.238 -184.816 241.509 -9.43986 245.237 -9.43961 223.102 GPRESSURE: 434000 -74.9029 -61.3831 276.193 -258.859 199.402 -30.4592 207.487 -1.05673 337.601 PRESSAVG: 434000 1.84448 -16.9931 -18.962 -16.9931 -29.4287 -45.2894 -18.962 -45.2893 1.59614 GPRESSAVG: 434000 1.95844 -17.9514 -18.528 -17.3952 -29.1766 -45.8912 -21.3028 -46.213 1.51674 TIMING: 434000 CPU: 1432.98, 0.00314504/step Wall: 1432.98, 0.00314504/step, 3.98895 hours remaining, 231.656250 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: 434000 3991.8006 20479.9805 14418.0532 232.8544 -203595.1274 2472.6227 0.0000 0.0000 52570.2935 -109429.5227 302.1222 -161999.8162 -109066.0419 300.1109 122.2168 154.0334 758265.4483 -8.6627 -8.5671 PRESSURE: 434200 -195.266 233.94 41.7354 233.94 264.258 -212.308 41.7355 -212.307 -170.325 GPRESSURE: 434200 -80.4786 300.793 -1.18287 167.301 211.286 -288.341 -1.39902 -229.919 -168.689 PRESSAVG: 434200 -29.0032 -73.6213 2.57121 -73.6213 25.6684 -12.3635 2.57119 -12.3635 9.31973 GPRESSAVG: 434200 -29.054 -73.1571 2.5268 -72.6477 25.5347 -11.4134 4.01921 -11.5773 9.59181 TIMING: 434200 CPU: 1433.61, 0.00314591/step Wall: 1433.61, 0.00314591/step, 3.98989 hours remaining, 231.656250 MB of memory in use. ENERGY: 434200 4006.1486 20639.9748 14491.6862 232.0193 -203429.1270 2472.3906 0.0000 0.0000 52147.1562 -109439.7512 299.6904 -161586.9074 -109077.0872 300.5081 -33.7780 -12.6273 759248.5280 1.9950 2.0242 PRESSURE: 434400 91.9848 -53.9523 185.335 -53.9524 -359.238 -144.055 185.336 -144.054 -75.8535 GPRESSURE: 434400 61.5556 25.4556 156.606 -95.3891 -278.533 -69.0818 126.418 11.7922 -24.8416 PRESSAVG: 434400 5.69574 -29.9438 8.81051 -29.9438 21.83 -8.64588 8.81039 -8.64584 22.1372 GPRESSAVG: 434400 4.41315 -31.108 9.22729 -30.194 23.5914 -8.9183 8.62107 -8.08106 21.6857 TIMING: 434400 CPU: 1434.24, 0.00315172/step Wall: 1434.24, 0.00315172/step, 3.99708 hours remaining, 231.656250 MB of memory in use. ENERGY: 434400 4058.0617 20755.2085 14416.8748 246.0652 -203307.6538 2246.3963 0.0000 0.0000 52082.7663 -109502.2810 299.3204 -161585.0473 -109146.4598 299.8842 -114.3691 -80.6063 759534.1997 16.5543 16.5634 PRESSURE: 434600 -152.674 136.396 -183.503 136.397 215.444 -293.574 -183.503 -293.573 4.57794 GPRESSURE: 434600 -125.617 156.181 -177.995 34.7741 276.756 -279.105 -68.0106 -298.821 -5.23819 PRESSAVG: 434600 -46.2273 -5.42528 10.9004 -5.42524 27.9648 -26.7998 10.9004 -26.7998 15.3413 GPRESSAVG: 434600 -45.9854 -1.81057 10.9012 -3.84313 27.2681 -26.1306 11.8263 -26.8238 15.911 TIMING: 434600 CPU: 1434.87, 0.00313069/step Wall: 1434.87, 0.00313069/step, 3.97023 hours remaining, 231.656250 MB of memory in use. ENERGY: 434600 4002.4786 20659.9040 14428.2288 269.3253 -203462.1463 2393.2208 0.0000 0.0000 51945.4720 -109763.5168 298.5313 -161708.9888 -109405.5122 299.5416 22.4494 48.6338 760133.1405 -0.9737 -0.9355 PRESSURE: 434800 66.4914 -121.883 312.081 -121.882 -13.467 -8.96842 312.081 -8.96895 -232.756 GPRESSURE: 434800 95.376 -158.404 259.733 -81.3288 -27.868 -21.7962 165.325 -156.058 -204.201 PRESSAVG: 434800 34.7942 -21.4342 46.1868 -21.4342 16.4638 -12.3445 46.1868 -12.3445 -35.9657 GPRESSAVG: 434800 35.5326 -24.9848 45.4698 -23.2355 15.6769 -14.0506 45.444 -13.6662 -36.6281 TIMING: 434800 CPU: 1435.49, 0.00314248/step Wall: 1435.49, 0.00314248/step, 3.98502 hours remaining, 231.656250 MB of memory in use. ENERGY: 434800 3993.3232 20656.3055 14419.7877 227.2452 -203302.4741 2361.8184 0.0000 0.0000 51917.3868 -109726.6072 298.3699 -161643.9940 -109365.3853 299.1240 -59.9107 -45.5644 761460.2818 5.0974 4.8605 PRESSURE: 435000 -142.309 -143.262 58.7876 -143.262 -16.9581 -150.565 58.7881 -150.566 -338.307 GPRESSURE: 435000 -126.841 -113.376 73.8262 -170.919 64.5976 -24.665 64.2919 -134.167 -344.78 PRESSAVG: 435000 -2.98147 -9.13445 -34.3606 -9.13449 -10.4414 -3.70145 -34.3606 -3.70147 6.76471 GPRESSAVG: 435000 -4.04432 -6.48592 -34.5806 -10.732 -10.0565 -2.95941 -36.4982 -3.63237 7.35192 TIMING: 435000 CPU: 1436.13, 0.0031662/step Wall: 1436.13, 0.0031662/step, 4.01492 hours remaining, 231.656250 MB of memory in use. ENERGY: 435000 4024.4966 20550.5710 14447.0611 261.5538 -203348.1014 2402.8782 0.0000 0.0000 52058.0211 -109603.5197 299.1782 -161661.5408 -109247.7204 298.8993 -165.8579 -135.6746 762534.3509 -2.2194 -2.2496 PRESSURE: 435200 205.669 245.523 -289.778 245.523 26.9619 160.345 -289.779 160.346 -81.7305 GPRESSURE: 435200 262.306 180.784 -329.96 204.195 107.965 163.667 -319.65 204.356 -126.53 PRESSAVG: 435200 -35.4401 -4.45265 2.8204 -4.45259 17.5708 -7.17167 2.82038 -7.17173 -3.37627 GPRESSAVG: 435200 -33.5506 -4.10981 3.36874 -2.66094 16.9571 -6.9947 6.50617 -7.37204 -3.87002 TIMING: 435200 CPU: 1436.77, 0.00319219/step Wall: 1436.77, 0.00319219/step, 4.04769 hours remaining, 231.656250 MB of memory in use. ENERGY: 435200 3964.4947 20555.8583 14429.4178 233.2433 -203271.7501 2592.4446 0.0000 0.0000 51990.8265 -109505.4651 298.7920 -161496.2916 -109145.2954 299.3685 50.3003 81.2471 760470.8176 -7.0819 -6.8212 PRESSURE: 435400 171.339 -6.87877 87.0259 -6.87874 -46.6209 77.0977 87.0264 77.0982 186.162 GPRESSURE: 435400 166.954 23.7789 110.887 69.3573 6.63698 -61.4299 31.058 155.348 209.001 PRESSAVG: 435400 38.304 -14.5161 39.1969 -14.5161 -19.0667 -3.29774 39.1968 -3.29766 -4.17693 GPRESSAVG: 435400 37.7288 -15.2178 39.6251 -15.2617 -18.1743 -4.4071 37.2216 -0.0116212 -4.16388 TIMING: 435400 CPU: 1437.4, 0.00316339/step Wall: 1437.4, 0.00316339/step, 4.01101 hours remaining, 231.656250 MB of memory in use. ENERGY: 435400 3970.2961 20417.2101 14445.8880 268.2772 -203477.1981 2644.5747 0.0000 0.0000 52113.9147 -109617.0373 299.4994 -161730.9521 -109246.4106 299.0026 103.6267 127.5308 759864.0027 5.0201 5.1302 PRESSURE: 435600 -30.872 -122.021 -124.827 -122.021 -350.94 -20.4756 -124.828 -20.4756 -708.049 GPRESSURE: 435600 -45.6087 -174.546 -97.4392 -85.081 -319.41 14.9556 32.0535 -45.2091 -649.268 PRESSAVG: 435600 37.092 0.761915 -27.2886 0.761907 -14.5612 -16.4102 -27.2885 -16.4103 -3.84021 GPRESSAVG: 435600 36.1842 2.07147 -27.4159 1.84171 -14.3034 -17.6184 -27.2691 -17.3752 -3.64968 TIMING: 435600 CPU: 1438.03, 0.00316466/step Wall: 1438.03, 0.00316466/step, 4.01243 hours remaining, 231.656250 MB of memory in use. ENERGY: 435600 3999.1827 20704.1137 14466.7328 238.1556 -203213.1768 2177.2861 0.0000 0.0000 51883.4993 -109744.2067 298.1752 -161627.7059 -109394.3285 299.1771 -363.2869 -338.0957 760590.9246 6.2302 6.0771 PRESSURE: 435800 303.096 -64.0257 0.232238 -64.0258 78.1152 -26.1425 0.23297 -26.1421 -212.276 GPRESSURE: 435800 360.174 -125.476 34.1784 -10.7205 36.7717 -37.1361 19.9258 38.014 -137.183 PRESSAVG: 435800 46.6788 36.9162 14.543 36.9162 1.39365 1.94701 14.543 1.94699 -7.1505 GPRESSAVG: 435800 46.8617 34.0968 14.1188 37.1426 0.0309741 4.15499 16.1739 0.596043 -6.3188 TIMING: 435800 CPU: 1438.66, 0.00314383/step Wall: 1438.66, 0.00314383/step, 3.98585 hours remaining, 231.656250 MB of memory in use. ENERGY: 435800 4059.3765 20530.5212 14460.4876 261.3313 -203210.8711 2378.0944 0.0000 0.0000 51922.8784 -109598.1817 298.4015 -161521.0601 -109239.4029 298.9615 56.3117 86.5877 760584.3589 13.6407 13.5246 PRESSURE: 436000 238.957 147.324 234.624 147.324 -222.367 -431.146 234.624 -431.145 -170.09 GPRESSURE: 436000 257.001 115.64 248.009 102.788 -94.6264 -416.149 57.6155 -157.425 -236.943 PRESSAVG: 436000 73.1572 -6.25478 23.7102 -6.25486 -18.6303 -63.191 23.7102 -63.191 -2.65199 GPRESSAVG: 436000 73.4396 -5.18542 25.5292 -5.75425 -18.0279 -63.9059 20.5007 -62.0126 -3.24145 TIMING: 436000 CPU: 1439.29, 0.00314826/step Wall: 1439.29, 0.00314826/step, 3.99129 hours remaining, 231.656250 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: 436000 3954.2830 20534.9021 14397.3651 243.1558 -203567.5814 2567.4857 0.0000 0.0000 52177.6900 -109692.6997 299.8659 -161870.3897 -109322.7617 298.9791 -51.1669 -24.8562 762143.6610 17.2916 17.3901 PRESSURE: 436200 223.58 -31.5944 31.2988 -31.5944 152.458 161.538 31.2999 161.538 -130.958 GPRESSURE: 436200 287.895 110.735 -8.65529 -28.1143 161.164 127.763 134.877 107.949 -115.021 PRESSAVG: 436200 27.5538 -1.03459 -1.14411 -1.0346 -35.5322 -35.893 -1.14413 -35.893 31.8068 GPRESSAVG: 436200 28.5825 -1.32604 -2.77988 -0.567729 -35.5597 -36.0898 0.200035 -37.0938 30.3749 TIMING: 436200 CPU: 1439.92, 0.0031396/step Wall: 1439.92, 0.0031396/step, 3.98014 hours remaining, 231.656250 MB of memory in use. ENERGY: 436200 3879.4271 20438.9525 14497.3872 279.8998 -203370.1436 2439.6785 0.0000 0.0000 52088.7361 -109746.0624 299.3547 -161834.7985 -109373.9941 298.9686 81.6932 111.3463 760644.4319 7.9428 7.7992 LDB: ============= START OF LOAD BALANCING ============== 1452.34 LDB: ============== END OF LOAD BALANCING =============== 1452.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1452.34 LDB: ============= START OF LOAD BALANCING ============== 1452.65 LDB: Largest compute 7025 load 0.035932 is 18.4% of average load 0.195169 LDB: Average compute 0.004374 is 2.2% of average load 0.195169 LDB: TIME 1452.66 LOAD: AVG 0.195169 MAX 0.212878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.84 MB LDB: TIME 1452.66 LOAD: AVG 0.195169 MAX 0.212878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.938 MB LDB: TIME 1452.66 LOAD: AVG 0.195169 MAX 0.212878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.938 MB LDB: ============== END OF LOAD BALANCING =============== 1452.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1452.66 PRESSURE: 436400 22.6952 34.5271 90.7245 34.5266 -52.2268 -62.2649 90.7251 -62.265 454.107 GPRESSURE: 436400 82.5383 63.1047 56.0002 -18.4976 -40.3624 -5.87409 140.176 -28.3799 457.439 PRESSAVG: 436400 51.3991 -27.6986 19.4691 -27.6986 -27.4636 -9.47493 19.469 -9.47492 -2.23823 GPRESSAVG: 436400 50.7835 -27.1791 19.7334 -29.279 -28.2515 -8.18578 19.5819 -9.36843 -0.750438 TIMING: 436400 CPU: 1440.56, 0.003203/step Wall: 1440.56, 0.003203/step, 4.06033 hours remaining, 231.328125 MB of memory in use. ENERGY: 436400 3997.2578 20443.8873 14464.2623 248.4241 -203535.0015 2792.4854 0.0000 0.0000 51917.0608 -109671.6237 298.3681 -161588.6845 -109319.4906 299.1461 141.5253 166.5384 762182.7116 7.2324 7.2605 PRESSURE: 436600 -68.8834 67.6302 52.3863 67.6311 -68.4038 218.06 52.3868 218.061 -142.445 GPRESSURE: 436600 -205.641 59.2961 86.1157 -80.5046 42.2951 149.797 -31.2837 245.632 -54.6849 PRESSAVG: 436600 46.5992 4.50074 -0.326122 4.50077 -47.42 -35.1853 -0.326076 -35.1852 4.26121 GPRESSAVG: 436600 45.8141 5.21354 0.510303 4.96055 -46.2464 -36.3182 -1.85332 -35.1286 3.62339 TIMING: 436600 CPU: 1441.18, 0.00313326/step Wall: 1441.18, 0.00313326/step, 3.97175 hours remaining, 231.531250 MB of memory in use. ENERGY: 436600 3947.1419 20533.3385 14490.0351 218.1482 -203538.0861 2659.1171 0.0000 0.0000 51830.4301 -109859.8752 297.8702 -161690.3053 -109503.9983 298.8331 -93.2439 -72.6770 761956.4787 1.1468 1.0637 PRESSURE: 436800 79.6991 30.7429 14.7689 30.7431 81.5381 -77.0954 14.7689 -77.0956 -162.331 GPRESSURE: 436800 88.0761 74.979 -10.7136 60.024 117.742 -64.7911 -16.2718 -163.187 -120.835 PRESSAVG: 436800 1.37094 -36.7141 -33.3501 -36.7141 -3.39972 -28.7154 -33.3501 -28.7154 -5.34339 GPRESSAVG: 436800 1.8671 -36.9972 -33.9453 -35.951 -4.01403 -26.5474 -33.681 -29.7744 -5.13521 TIMING: 436800 CPU: 1441.82, 0.00315379/step Wall: 1441.82, 0.00315379/step, 3.99761 hours remaining, 231.531250 MB of memory in use. ENERGY: 436800 3940.6093 20565.9575 14425.1846 268.5843 -203241.1460 2275.7014 0.0000 0.0000 52072.7373 -109692.3716 299.2627 -161765.1089 -109338.0013 298.3448 -0.3647 28.3280 759685.8048 -2.4574 -2.4274 PRESSURE: 437000 -429.84 234.779 137.704 234.779 2.12369 -89.5564 137.704 -89.5569 -160.58 GPRESSURE: 437000 -441.142 175.814 79.8844 213.837 29.8821 -172.631 141.376 -118.262 -84.4309 PRESSAVG: 437000 -4.09484 -23.6065 1.83521 -23.6064 25.7379 -56.1836 1.83526 -56.1836 1.13002 GPRESSAVG: 437000 -4.26958 -23.1842 2.34845 -25.6751 26.6201 -57.4183 2.50928 -56.2623 0.666979 TIMING: 437000 CPU: 1442.45, 0.00315799/step Wall: 1442.45, 0.00315799/step, 4.00275 hours remaining, 231.734375 MB of memory in use. ENERGY: 437000 4014.4160 20473.1377 14394.8471 245.7504 -203360.9609 2475.0809 0.0000 0.0000 51826.8497 -109930.8792 297.8496 -161757.7289 -109569.0049 298.6410 -196.0990 -165.2302 760653.8489 7.5910 7.6725 PRESSURE: 437200 11.6635 -3.83673 146.203 -3.83624 302.449 -198.261 146.203 -198.262 -204.841 GPRESSURE: 437200 64.1946 -85.6857 175.224 -108.702 280.117 -129.136 255.224 -209.96 -166.714 PRESSAVG: 437200 1.9099 -7.68542 8.4037 -7.68546 24.8335 -34.2531 8.40371 -34.2532 11.4898 GPRESSAVG: 437200 2.05421 -10.0409 7.94913 -5.82574 24.0765 -34.8311 10.0134 -33.9708 12.155 TIMING: 437200 CPU: 1443.08, 0.00315297/step Wall: 1443.08, 0.00315297/step, 3.99621 hours remaining, 231.734375 MB of memory in use. ENERGY: 437200 3986.1506 20510.3433 14401.4620 257.9344 -203435.4557 2570.0093 0.0000 0.0000 51611.0175 -110098.5385 296.6092 -161709.5561 -109748.3815 298.4955 36.4239 59.1991 760158.3829 12.7444 12.7619 PRESSURE: 437400 118.049 6.04986 -1.5176 6.05005 100.557 183.583 -1.51804 183.583 343.476 GPRESSURE: 437400 210.724 159.009 -26.9804 88.1948 72.0824 200.713 -47.4511 61.0908 341.03 PRESSAVG: 437400 40.3187 -0.333212 5.19624 -0.333224 -22.9258 -32.0653 5.19624 -32.0653 -10.9476 GPRESSAVG: 437400 41.1124 1.41427 5.08479 0.38127 -23.2628 -32.0953 4.85326 -28.4266 -11.3377 TIMING: 437400 CPU: 1443.71, 0.00314168/step Wall: 1443.71, 0.00314168/step, 3.98173 hours remaining, 231.734375 MB of memory in use. ENERGY: 437400 3909.3349 20609.7363 14531.2124 228.9096 -203955.2401 2797.8524 0.0000 0.0000 51899.2463 -109978.9481 298.2657 -161878.1944 -109606.5712 298.3867 187.3607 207.9454 762940.6441 2.1484 2.1706 PRESSURE: 437600 -40.0059 -135.994 -58.8779 -135.994 -14.616 65.157 -58.8781 65.1567 43.5665 GPRESSURE: 437600 -19.9991 -139.724 -120.771 -77.6699 45.6708 90.5074 -90.781 -63.067 43.1401 PRESSAVG: 437600 35.0616 -3.90185 -16.8015 -3.9018 -44.8679 -20.0555 -16.8016 -20.0555 1.29778 GPRESSAVG: 437600 35.3995 -2.90079 -16.4641 -4.06857 -44.4541 -20.0715 -20.0391 -22.6663 -0.0105714 TIMING: 437600 CPU: 1444.34, 0.00315741/step Wall: 1444.34, 0.00315741/step, 4.00149 hours remaining, 231.734375 MB of memory in use. ENERGY: 437600 3878.2958 20491.5502 14446.3645 238.7478 -203605.7355 2586.9280 0.0000 0.0000 52078.0980 -109885.7512 299.2935 -161963.8491 -109520.4522 298.3887 -3.6851 22.9373 761397.7632 -2.8362 -3.0217 PRESSURE: 437800 -78.1366 134.441 22.8985 134.441 -166.806 -212 22.8993 -211.998 -152 GPRESSURE: 437800 -86.5406 -40.0598 43.7399 87.6285 -41.0185 -323.108 84.7402 -196.13 -166.225 PRESSAVG: 437800 -5.78278 -16.8745 -31.7824 -16.8745 41.8713 -28.5011 -31.7824 -28.5011 8.70984 GPRESSAVG: 437800 -7.0077 -20.1534 -31.739 -15.9924 42.2833 -28.3465 -28.6551 -29.8496 9.6088 TIMING: 437800 CPU: 1444.97, 0.00315684/step Wall: 1444.97, 0.00315684/step, 4.00059 hours remaining, 231.734375 MB of memory in use. ENERGY: 437800 3982.9289 20378.2608 14453.9520 258.8012 -203463.4402 2512.6412 0.0000 0.0000 51975.8397 -109901.0164 298.7059 -161876.8561 -109543.8879 298.3296 -132.3141 -97.9280 760019.4862 14.9328 14.9615 PRESSURE: 438000 232.852 -33.2389 -175.752 -33.2384 109.333 61.2779 -175.752 61.2773 301.788 GPRESSURE: 438000 250.649 -105.622 -109.338 37.5808 161.699 1.94435 -254.224 9.7341 320.565 PRESSAVG: 438000 -4.55613 5.19498 1.65442 5.19487 19.8495 -42.9524 1.65447 -42.9524 19.7831 GPRESSAVG: 438000 -3.17816 8.65933 0.352032 4.38548 18.8885 -43.6538 1.77179 -42.7103 19.6983 TIMING: 438000 CPU: 1445.6, 0.00313228/step Wall: 1445.6, 0.00313228/step, 3.9693 hours remaining, 231.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 438000 3866.7641 20427.3730 14446.0715 257.1247 -203471.9772 2477.8184 0.0000 0.0000 52082.6377 -109914.1878 299.3196 -161996.8254 -109549.8394 298.4797 214.6576 244.3044 760648.8043 11.6921 11.8029 PRESSURE: 438200 153.964 -169.582 -206.226 -169.582 -157.662 227.771 -206.225 227.77 40.9514 GPRESSURE: 438200 160.633 -100.168 -242.603 -163.94 2.49078 207.688 5.14193 300.157 -23.0319 PRESSAVG: 438200 45.7273 -35.4598 32.9991 -35.4597 -35.0332 -21.7197 32.9991 -21.7199 2.53872 GPRESSAVG: 438200 44.537 -36.6649 32.9565 -34.184 -35.1495 -21.2867 33.3665 -20.4004 3.73826 TIMING: 438200 CPU: 1446.22, 0.00313077/step Wall: 1446.22, 0.00313077/step, 3.9672 hours remaining, 231.734375 MB of memory in use. ENERGY: 438200 4066.5545 20430.7281 14493.4837 240.8637 -203536.6866 2485.0128 0.0000 0.0000 52138.1699 -109681.8738 299.6388 -161820.0437 -109321.3683 298.7137 12.4179 46.6974 759943.3492 4.4109 4.3753 PRESSURE: 438400 -271.993 12.9235 46.8592 12.9226 -227.123 73.3141 46.8599 73.3132 108.231 GPRESSURE: 438400 -312.234 33.5266 93.0853 -1.17612 -166.056 81.9637 -41.8685 1.77465 167.571 PRESSAVG: 438400 40.5755 -18.3603 20.2893 -18.3603 -34.0256 -73.1336 20.2893 -73.1336 19.0975 GPRESSAVG: 438400 40.4946 -17.4901 21.5694 -21.5992 -32.3916 -73.4475 18.3819 -74.6398 17.8939 TIMING: 438400 CPU: 1446.85, 0.00315857/step Wall: 1446.85, 0.00315857/step, 4.00226 hours remaining, 231.734375 MB of memory in use. ENERGY: 438400 3990.0118 20722.4248 14450.2976 241.8895 -203210.0365 2463.5200 0.0000 0.0000 51933.3036 -109408.5893 298.4614 -161341.8929 -109042.6079 298.9992 -130.2950 -103.5731 762657.5869 8.5491 8.6656 PRESSURE: 438600 -129.337 -134.58 -119.739 -134.58 25.459 7.18078 -119.739 7.18079 -72.8692 GPRESSURE: 438600 14.4807 -140.304 -97.6627 -32.1397 -20.9912 -33.2953 -105.417 8.52616 -64.7091 PRESSAVG: 438600 -51.6017 -5.41677 -87.2978 -5.41682 28.161 -26.2542 -87.2978 -26.2543 -4.19159 GPRESSAVG: 438600 -49.909 -6.7214 -87.1436 -4.2866 26.7342 -25.3606 -85.4625 -24.4648 -4.38248 TIMING: 438600 CPU: 1447.48, 0.00313964/step Wall: 1447.48, 0.00313964/step, 3.9781 hours remaining, 231.734375 MB of memory in use. ENERGY: 438600 4035.9685 20627.7708 14514.0453 248.6358 -203403.6515 2627.0272 0.0000 0.0000 52017.9712 -109332.2328 298.9480 -161350.2039 -108971.7779 299.2832 -58.9158 -23.7398 762021.7673 -9.2108 -9.1858 PRESSURE: 438800 -210.856 -166.776 -15.7646 -166.776 -44.5351 -210.167 -15.7646 -210.168 167.113 GPRESSURE: 438800 -53.6925 -130.912 -48.8067 -190.978 -84.0186 -168.514 -15.9336 -151.998 146.232 PRESSAVG: 438800 -11.5722 -17.0621 -19.1139 -17.0621 -0.722277 -29.3102 -19.114 -29.3102 -0.927876 GPRESSAVG: 438800 -12.6165 -16.0259 -20.9466 -19.0549 -0.33956 -30.1309 -19.6221 -31.1997 -0.0231425 TIMING: 438800 CPU: 1448.11, 0.00313977/step Wall: 1448.11, 0.00313977/step, 3.97809 hours remaining, 231.734375 MB of memory in use. ENERGY: 438800 4015.1957 20396.6111 14475.3713 236.4052 -203248.5569 2768.1654 0.0000 0.0000 51960.1172 -109396.6909 298.6155 -161356.8082 -109033.4020 299.5468 -29.4260 2.8402 762641.6029 -4.4074 -4.3264 PRESSURE: 439000 259.206 211.711 252.362 211.71 133.098 32.881 252.362 32.8808 -80.8751 GPRESSURE: 439000 241.662 47.9529 135.116 197.645 230.705 -11.1706 335.7 23.2635 -59.0298 PRESSAVG: 439000 27.4343 -30.7029 42.0999 -30.7029 -32.0264 -4.85484 42.0999 -4.85474 -1.18861 GPRESSAVG: 439000 27.1645 -31.6099 41.8063 -29.5135 -31.647 -3.94111 42.8021 -4.4699 -1.26023 TIMING: 439000 CPU: 1448.73, 0.00312347/step Wall: 1448.73, 0.00312347/step, 3.95727 hours remaining, 231.734375 MB of memory in use. ENERGY: 439000 4015.5719 20502.6462 14443.5658 241.7714 -203538.2152 2690.5594 0.0000 0.0000 52099.8415 -109544.2591 299.4185 -161644.1006 -109193.8262 299.3015 103.8097 137.7792 760615.4583 -1.9269 -1.9143 PRESSURE: 439200 412.998 -170.632 -57.4919 -170.631 -77.2416 -174.104 -57.4918 -174.105 100.117 GPRESSURE: 439200 442.229 -188.655 -36.6972 -196.087 -13.5267 -159.419 136.324 -108.452 69.557 PRESSAVG: 439200 -11.2371 -17.309 7.99512 -17.309 -15.5018 -53.8124 7.9951 -53.8122 14.583 GPRESSAVG: 439200 -12.6062 -17.708 10.4172 -16.6037 -14.9431 -55.0872 7.23323 -52.5986 15.0916 TIMING: 439200 CPU: 1449.36, 0.00314441/step Wall: 1449.36, 0.00314441/step, 3.98362 hours remaining, 231.734375 MB of memory in use. ENERGY: 439200 3931.7102 20502.0458 14400.2739 256.7242 -203053.1543 2689.6794 0.0000 0.0000 51735.8222 -109536.8985 297.3265 -161272.7207 -109177.0699 298.9520 145.2913 166.0865 761378.4398 -4.0520 -4.1526 PRESSURE: 439400 -204.76 -158.521 121.381 -158.521 -141.117 -135.615 121.381 -135.616 57.4583 GPRESSURE: 439400 -189.647 -13.1936 116.178 -208.963 -84.3025 -102.393 -38.5023 17.1933 78.8194 PRESSAVG: 439400 -10.6591 -30.73 -3.80476 -30.73 7.41249 -16.7187 -3.8048 -16.7187 4.87608 GPRESSAVG: 439400 -9.57357 -29.8096 -5.64943 -28.8883 6.86345 -15.609 -4.3528 -16.3414 4.0297 TIMING: 439400 CPU: 1449.99, 0.00314116/step Wall: 1449.99, 0.00314116/step, 3.97933 hours remaining, 231.734375 MB of memory in use. ENERGY: 439400 3883.6391 20269.4770 14451.5083 251.3831 -203101.9777 2486.3162 0.0000 0.0000 52204.7567 -109554.8974 300.0215 -161759.6541 -109192.7067 298.8753 -96.1397 -65.0434 761350.8781 0.5431 0.4399 PRESSURE: 439600 -232.425 97.9005 145.317 97.8994 333.845 14.2903 145.316 14.291 90.1976 GPRESSURE: 439600 -126.408 -6.15589 136.343 154.618 293.603 50.5742 -40.9497 107.604 129.227 PRESSAVG: 439600 -6.19025 -35.7634 7.88792 -35.7634 79.709 -40.5534 7.88792 -40.5535 -5.81081 GPRESSAVG: 439600 -6.80236 -34.4193 9.05477 -37.9406 79.6101 -41.8114 9.21063 -39.4429 -5.08668 TIMING: 439600 CPU: 1450.62, 0.00316683/step Wall: 1450.62, 0.00316683/step, 4.01167 hours remaining, 231.937500 MB of memory in use. ENERGY: 439600 3966.5304 20593.2987 14352.8536 218.5211 -203133.5766 2406.2543 0.0000 0.0000 52165.5039 -109430.6146 299.7959 -161596.1185 -109069.9505 299.2677 63.8727 98.8074 760913.4791 22.5693 22.5737 PRESSURE: 439800 -34.6515 -53.6472 -118.777 -53.6481 58.057 -5.88049 -118.777 -5.8807 93.9055 GPRESSURE: 439800 84.1829 46.6542 -136.443 -56.3863 29.9617 22.4795 -135.957 -26.8347 74.6022 PRESSAVG: 439800 -62.7455 -33.5741 43.1749 -33.5741 38.2951 -7.30496 43.1749 -7.305 -3.43373 GPRESSAVG: 439800 -62.5739 -32.9027 41.8317 -36.4955 38.5798 -7.4696 42.1973 -9.13554 -3.97254 TIMING: 439800 CPU: 1451.26, 0.00315943/step Wall: 1451.26, 0.00315943/step, 4.00212 hours remaining, 231.937500 MB of memory in use. ENERGY: 439800 3951.9488 20606.9936 14364.6127 242.4130 -203014.8401 2541.3248 0.0000 0.0000 51983.3367 -109324.2105 298.7490 -161307.5472 -108967.1792 299.3805 39.1036 62.9156 761757.9237 -9.2947 -9.3222 PRESSURE: 440000 -319.928 17.4387 -104.968 17.4384 207.852 -210.562 -104.967 -210.561 -403.541 GPRESSURE: 440000 -234.846 49.6553 -54.0067 12.1162 279.349 -216.514 -43.4463 -144.796 -477.056 PRESSAVG: 440000 29.7149 -85.6326 10.982 -85.6327 -8.39235 -15.3303 10.982 -15.3303 -2.76192 GPRESSAVG: 440000 29.7877 -87.8381 11.8106 -81.6197 -7.44098 -16.7407 10.9451 -13.801 -3.62279 TIMING: 440000 CPU: 1451.88, 0.00314266/step Wall: 1451.88, 0.00314266/step, 3.9807 hours remaining, 231.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 440000 3970.4723 20469.1330 14440.7113 253.3925 -203015.4825 2494.2621 0.0000 0.0000 51970.3024 -109417.2088 298.6740 -161387.5112 -109055.9110 299.5473 -171.8723 -144.1844 762430.9663 6.1869 6.2413 PRESSURE: 440200 -253.724 88.8081 29.1645 88.808 -237.598 211.01 29.1641 211.01 215.311 GPRESSURE: 440200 -246.515 90.2576 -7.24462 58.0664 -125.373 158.297 11.8048 206.538 196.438 PRESSAVG: 440200 -31.3701 -36.4283 -17.4908 -36.4283 5.29386 -3.82947 -17.4908 -3.82946 -11.6548 GPRESSAVG: 440200 -31.4564 -34.9077 -17.5263 -38.1833 5.75571 -2.42153 -19.4308 -6.12384 -12.3029 TIMING: 440200 CPU: 1452.51, 0.00313827/step Wall: 1452.51, 0.00313827/step, 3.97497 hours remaining, 231.937500 MB of memory in use. ENERGY: 440200 3966.5733 20545.0867 14402.5920 248.9722 -203222.3212 2573.6998 0.0000 0.0000 52121.1283 -109364.2690 299.5408 -161485.3973 -109002.2593 299.5853 -92.0036 -58.4833 761997.9555 -12.5770 -12.6679 LDB: ============= START OF LOAD BALANCING ============== 1464.93 LDB: ============== END OF LOAD BALANCING =============== 1464.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1464.93 LDB: ============= START OF LOAD BALANCING ============== 1465.25 LDB: Largest compute 7057 load 0.034564 is 17.7% of average load 0.194987 LDB: Average compute 0.004397 is 2.3% of average load 0.194987 LDB: TIME 1465.25 LOAD: AVG 0.194987 MAX 0.217478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.582 MB LDB: TIME 1465.26 LOAD: AVG 0.194987 MAX 0.217478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.652 MB LDB: TIME 1465.26 LOAD: AVG 0.194987 MAX 0.217478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.652 MB LDB: ============== END OF LOAD BALANCING =============== 1465.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1465.26 PRESSURE: 440400 181.241 -130.12 -215.392 -130.121 220.011 -191.312 -215.391 -191.312 148.391 GPRESSURE: 440400 240.441 -44.1653 -287.352 -113.946 290.75 -136.762 0.794771 -191.042 97.5892 PRESSAVG: 440400 -19.4297 -35.2753 -42.7578 -35.2753 1.46417 2.39966 -42.7578 2.3996 -9.11524 GPRESSAVG: 440400 -20.4484 -35.3625 -42.2267 -35.3758 1.47151 1.53243 -39.7627 4.29303 -8.03945 TIMING: 440400 CPU: 1453.16, 0.00321678/step Wall: 1453.16, 0.00321678/step, 4.07423 hours remaining, 232.031250 MB of memory in use. ENERGY: 440400 4063.1717 20443.7249 14390.2818 272.4240 -203236.5661 2615.1230 0.0000 0.0000 52009.4960 -109442.3448 298.8993 -161451.8408 -109097.3034 299.6328 183.2142 209.5937 762152.0615 -9.0269 -9.0055 PRESSURE: 440600 -67.0009 20.4346 194.764 20.4352 -27.1409 198.917 194.764 198.916 120.374 GPRESSURE: 440600 -92.8717 -51.7756 164.7 112.566 49.5592 179.78 117.422 226.378 141.173 PRESSAVG: 440600 -13.1997 -3.8273 -39.1862 -3.82726 36.5763 -17.6051 -39.1862 -17.6051 -18.3861 GPRESSAVG: 440600 -12.0987 -5.98804 -41.0195 -2.76786 35.7852 -17.0034 -40.6377 -19.4927 -18.3705 TIMING: 440600 CPU: 1453.79, 0.00315083/step Wall: 1453.79, 0.00315083/step, 3.99053 hours remaining, 232.031250 MB of memory in use. ENERGY: 440600 3969.6839 20537.1996 14406.0299 245.0596 -203135.0447 2648.0036 0.0000 0.0000 51792.7060 -109536.3621 297.6534 -161329.0682 -109182.4541 299.0755 8.7441 32.6201 762674.8515 1.6635 1.7720 PRESSURE: 440800 200.177 -22.8897 -196.983 -22.8893 -264.946 54.9351 -196.983 54.9351 69.2292 GPRESSURE: 440800 117.282 24.1672 -163.207 49.0832 -155.619 88.7891 -72.8793 -33.3121 124.627 PRESSAVG: 440800 9.96704 30.9733 -87.3538 30.9733 -7.74362 -12.9094 -87.3538 -12.9094 2.50125 GPRESSAVG: 440800 9.91083 32.5477 -85.9879 30.6147 -7.70251 -12.6073 -88.2457 -10.9857 2.19037 TIMING: 440800 CPU: 1454.42, 0.00314615/step Wall: 1454.42, 0.00314615/step, 3.98442 hours remaining, 232.031250 MB of memory in use. ENERGY: 440800 4005.5222 20467.7379 14488.9401 243.5741 -203170.8614 2530.6322 0.0000 0.0000 51844.6806 -109589.7743 297.9521 -161434.4549 -109236.3666 298.7095 1.4867 28.7636 763762.0262 1.5749 1.4662 PRESSURE: 441000 -53.662 62.5893 22.8883 62.5895 -291.945 -19.8145 22.8883 -19.8151 20.3005 GPRESSURE: 441000 -24.2336 -103.627 -45.2778 101.29 -246.459 -69.7894 135.006 -17.485 35.6106 PRESSAVG: 441000 27.2299 -5.36224 19.6279 -5.36222 -23.8565 -34.7817 19.6279 -34.7818 -5.18589 GPRESSAVG: 441000 27.638 -6.26281 19.4608 -5.93037 -23.7174 -35.4072 21.3785 -36.1081 -5.49385 TIMING: 441000 CPU: 1455.05, 0.00316164/step Wall: 1455.05, 0.00316164/step, 4.00386 hours remaining, 232.031250 MB of memory in use. ENERGY: 441000 3887.2640 20556.9124 14417.9463 253.2019 -203411.3818 2681.3058 0.0000 0.0000 52069.2115 -109545.5399 299.2425 -161614.7515 -109179.1625 298.8771 -108.4354 -78.3605 764456.0166 -0.6042 -0.5244 PRESSURE: 441200 416.831 131.772 166.998 131.772 -140.098 75.4551 166.998 75.4545 178.381 GPRESSURE: 441200 405.93 76.1952 180.037 186.683 -76.6953 -12.3067 133.715 122.743 210.306 PRESSAVG: 441200 -29.9239 -13.7168 -33.7377 -13.7168 18.8361 -18.9463 -33.7377 -18.9462 15.2179 GPRESSAVG: 441200 -29.9255 -11.6407 -33.2543 -15.5006 19.0057 -18.0921 -34.2673 -18.9328 15.4939 TIMING: 441200 CPU: 1455.68, 0.00314837/step Wall: 1455.68, 0.00314837/step, 3.98689 hours remaining, 232.031250 MB of memory in use. ENERGY: 441200 3916.0319 20332.4948 14490.0274 233.5818 -202910.5064 2609.0466 0.0000 0.0000 52012.7863 -109316.5375 298.9182 -161329.3239 -108942.9834 298.9705 151.7046 179.8468 763775.9762 1.3767 1.5247 PRESSURE: 441400 160.129 8.08723 -18.9467 8.08742 241.24 -5.26444 -18.9472 -5.2642 -64.2597 GPRESSURE: 441400 245.727 40.6827 -32.6286 -27.0018 195.078 -28.9024 -77.2087 -11.6586 -16.2991 PRESSAVG: 441400 47.8067 -20.3789 -19.5161 -20.3789 5.27184 -22.7488 -19.5161 -22.7489 -2.00086 GPRESSAVG: 441400 47.9626 -21.9503 -20.133 -20.0061 5.81432 -23.5278 -19.3137 -22.6382 -2.46102 TIMING: 441400 CPU: 1456.3, 0.00313865/step Wall: 1456.3, 0.00313865/step, 3.97441 hours remaining, 232.031250 MB of memory in use. ENERGY: 441400 3977.9608 20566.2197 14470.5063 253.4064 -203458.2622 2928.6202 0.0000 0.0000 51997.7131 -109263.8355 298.8316 -161261.5487 -108903.5595 299.4974 112.3698 141.5018 762731.3068 17.0259 17.1053 PRESSURE: 441600 242.142 176.53 -159.859 176.531 184.3 -58.7756 -159.859 -58.7755 306.762 GPRESSURE: 441600 231.25 194.534 -205.611 122.814 257.653 -3.94628 -206.236 23.0948 312.526 PRESSAVG: 441600 28.843 -0.5729 -10.8801 -0.572877 -22.7608 -31.4151 -10.88 -31.4151 -6.70405 GPRESSAVG: 441600 29.0381 0.767023 -11.7548 -0.0730604 -22.8356 -31.1274 -8.84392 -30.0329 -6.81036 TIMING: 441600 CPU: 1456.93, 0.00313305/step Wall: 1456.93, 0.00313305/step, 3.96713 hours remaining, 232.031250 MB of memory in use. ENERGY: 441600 3953.9770 20628.5552 14536.3394 258.2279 -203598.9768 2856.8939 0.0000 0.0000 52108.8710 -109256.1125 299.4704 -161364.9835 -108891.9855 299.2830 244.4013 267.1429 761435.0175 -0.2073 -0.2026 PRESSURE: 441800 236.75 62.445 32.8629 62.4446 301.069 137.449 32.8636 137.449 -33.1239 GPRESSURE: 441800 215.762 -8.95812 62.6497 46.1007 355.029 94.4019 -38.8835 124.76 12.3366 PRESSAVG: 441800 44.4491 13.8833 -7.81182 13.8832 -59.618 -50.5543 -7.81185 -50.5542 -0.68008 GPRESSAVG: 441800 43.1447 12.6536 -5.85792 12.2559 -59.1406 -50.1073 -10.1077 -52.3074 0.313271 TIMING: 441800 CPU: 1457.56, 0.00312475/step Wall: 1457.56, 0.00312475/step, 3.95645 hours remaining, 232.031250 MB of memory in use. ENERGY: 441800 4031.6641 20456.5279 14472.1770 263.3599 -203439.1301 2677.8584 0.0000 0.0000 52157.4157 -109380.1271 299.7494 -161537.5428 -109017.2618 299.6862 168.2318 194.3759 760871.8346 -5.2830 -5.2275 PRESSURE: 442000 -47.2534 -202.854 -167.015 -202.854 -74.052 58.8059 -167.014 58.8051 61.5677 GPRESSURE: 442000 54.3121 -167.655 -140.811 -199.804 -79.4442 79.5503 -130.172 24.6578 56.9006 PRESSAVG: 442000 51.2415 -19.1009 10.7425 -19.1009 -55.7486 -25.343 10.7425 -25.343 14.9719 GPRESSAVG: 442000 53.0137 -20.9576 8.59826 -17.1259 -55.5933 -24.7467 12.5782 -24.5218 13.4166 TIMING: 442000 CPU: 1458.18, 0.00313581/step Wall: 1458.18, 0.00313581/step, 3.97028 hours remaining, 232.031250 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: 442000 3995.1429 20632.4930 14463.3166 242.1482 -203307.2991 2700.7283 0.0000 0.0000 51815.8825 -109457.5875 297.7866 -161273.4700 -109098.2294 299.2619 -19.9126 10.5895 761298.0883 3.4883 3.6124 PRESSURE: 442200 55.386 184.653 120.095 184.652 -170.688 15.5085 120.095 15.5081 198.701 GPRESSURE: 442200 35.8738 156.494 66.5071 177.471 -66.2185 -3.39013 64.7251 -12.0858 199.689 PRESSAVG: 442200 12.7166 59.5791 2.38755 59.5791 -18.6306 -9.27971 2.38753 -9.27979 -17.8678 GPRESSAVG: 442200 12.9979 62.3199 1.62141 58.4217 -19.501 -9.94739 2.76937 -7.46214 -17.1844 TIMING: 442200 CPU: 1458.81, 0.00312578/step Wall: 1458.81, 0.00312578/step, 3.95741 hours remaining, 232.031250 MB of memory in use. ENERGY: 442200 4021.0537 20673.0945 14488.1985 256.1898 -203353.4400 2605.0103 0.0000 0.0000 51913.8124 -109396.0808 298.3494 -161309.8931 -109037.9252 299.4155 27.7996 56.4481 761489.9127 -7.9272 -7.8959 PRESSURE: 442400 141.167 44.7885 -135.348 44.7891 -635.899 -228.653 -135.347 -228.654 -172.324 GPRESSURE: 442400 55.3542 91.5074 -113.735 74.1853 -563.938 -164.134 -157.336 -211.47 -74.8532 PRESSAVG: 442400 50.8599 41.4276 19.4738 41.4277 -84.5863 6.25068 19.4738 6.25071 27.59 GPRESSAVG: 442400 49.0941 40.9706 20.9571 43.7161 -84.5295 6.53933 17.5822 4.30496 28.6111 TIMING: 442400 CPU: 1459.44, 0.00313627/step Wall: 1459.44, 0.00313627/step, 3.97052 hours remaining, 232.031250 MB of memory in use. ENERGY: 442400 4072.9262 20663.5119 14551.3870 250.3404 -203207.6556 2355.6479 0.0000 0.0000 52085.9096 -109227.9326 299.3384 -161313.8422 -108875.8761 299.5408 -222.3522 -194.4790 760306.9262 -2.0455 -2.2748 PRESSURE: 442600 109.287 -16.691 18.8192 -16.6905 -95.5534 -199.864 18.8192 -199.863 299.597 GPRESSURE: 442600 23.4202 -16.419 86.4299 -22.5091 -47.1236 -192.444 39.0255 -127.71 421.446 PRESSAVG: 442600 49.6815 14.9316 -25.0962 14.9316 -14.7907 46.1552 -25.0961 46.1552 -17.8584 GPRESSAVG: 442600 50.7951 15.7799 -24.7867 12.8632 -14.325 46.4634 -22.6533 47.9666 -19.2981 TIMING: 442600 CPU: 1460.06, 0.00313613/step Wall: 1460.06, 0.00313613/step, 3.97016 hours remaining, 232.031250 MB of memory in use. ENERGY: 442600 3966.7076 20596.2014 14424.8809 264.0895 -203362.9392 2538.0196 0.0000 0.0000 52177.1477 -109395.8925 299.8628 -161573.0403 -109030.4090 300.2815 104.4434 132.5809 760249.3531 5.6775 5.7240 PRESSURE: 442800 102.295 51.1699 134.542 51.1697 -256.624 -135.166 134.543 -135.167 -126.906 GPRESSURE: 442800 15.2065 116.536 193.488 -113.063 -182.797 -172.554 42.9368 -107.745 -36.6195 PRESSAVG: 442800 -0.222688 -30.8562 23.831 -30.8562 -28.5267 -31.2701 23.831 -31.2701 1.45615 GPRESSAVG: 442800 -0.519617 -33.4893 26.0921 -31.5372 -27.8818 -31.4433 21.9451 -32.3316 1.5162 TIMING: 442800 CPU: 1460.69, 0.00313456/step Wall: 1460.69, 0.00313456/step, 3.96801 hours remaining, 232.031250 MB of memory in use. ENERGY: 442800 3954.5680 20589.5027 14537.5521 246.9423 -203019.8329 2379.4496 0.0000 0.0000 51950.1459 -109361.6722 298.5582 -161311.8182 -109013.5534 299.6652 -93.7450 -68.0699 761948.4915 -9.0977 -8.9618 PRESSURE: 443000 -166.647 -156.374 157.437 -156.375 -215.877 43.8949 157.437 43.8955 -255.787 GPRESSURE: 443000 -261.043 -61.5762 50.3309 -45.4218 -136.806 -108.91 209.669 -61.0564 -164.371 PRESSAVG: 443000 3.59095 -28.4336 17.3754 -28.4337 11.6271 -25.8087 17.3754 -25.8088 11.1005 GPRESSAVG: 443000 2.52208 -25.7228 15.2119 -27.4538 12.5562 -24.0551 18.1255 -27.3772 10.915 TIMING: 443000 CPU: 1461.31, 0.0031137/step Wall: 1461.31, 0.0031137/step, 3.94143 hours remaining, 232.031250 MB of memory in use. ENERGY: 443000 3901.0045 20521.6521 14527.5883 252.0442 -203566.4948 2722.4448 0.0000 0.0000 52047.0793 -109594.6818 299.1153 -161641.7611 -109233.3909 299.1858 -212.7702 -187.4067 761687.8028 8.7729 8.6644 PRESSURE: 443200 264.451 -27.1215 -2.42031 -27.1218 228.256 20.0566 -2.41933 20.056 -60.3109 GPRESSURE: 443200 289.263 8.20444 17.8827 3.04809 256.618 -27.9949 -31.5101 -34.9248 -35.8344 PRESSAVG: 443200 24.1508 14.2677 11.112 14.2677 -49.2513 -15.8856 11.112 -15.8856 11.0539 GPRESSAVG: 443200 25.9603 14.1926 12.686 13.9345 -50.2098 -18.5414 10.2249 -13.508 10.0773 TIMING: 443200 CPU: 1461.94, 0.00312964/step Wall: 1461.94, 0.00312964/step, 3.96143 hours remaining, 232.031250 MB of memory in use. ENERGY: 443200 3930.5802 20413.2631 14438.8415 251.2057 -203100.5603 2394.5073 0.0000 0.0000 52286.0927 -109386.0698 300.4889 -161672.1625 -109018.3050 299.0474 144.1322 170.0156 760241.9982 -4.6822 -4.7241 PRESSURE: 443400 -288.093 -112.351 -22.4646 -112.351 -29.4478 60.5299 -22.4647 60.5299 101.156 GPRESSURE: 443400 -207.917 -33.8616 -53.0354 -147.654 -32.016 42.0737 146.295 110.762 93.7089 PRESSAVG: 443400 90.7617 -20.9739 -26.3359 -20.974 -2.59022 14.8774 -26.336 14.8775 -3.50962 GPRESSAVG: 443400 90.5887 -22.6431 -27.0573 -20.4265 -3.36944 15.1044 -27.2826 15.4449 -2.13684 TIMING: 443400 CPU: 1462.57, 0.00314573/step Wall: 1462.57, 0.00314573/step, 3.98163 hours remaining, 232.031250 MB of memory in use. ENERGY: 443400 3976.0105 20575.0347 14479.1211 242.4111 -202993.1064 2458.2352 0.0000 0.0000 52068.3624 -109193.9315 299.2376 -161262.2939 -108830.9869 299.6739 -72.1285 -48.7415 760157.9678 28.2206 28.3608 PRESSURE: 443600 -307.672 161.473 94.751 161.473 -67.0154 -31.0226 94.751 -31.0233 -336.699 GPRESSURE: 443600 -223.52 114.07 178.726 189.377 -53.3829 106.792 18.9087 -6.50954 -340.024 PRESSAVG: 443600 -19.8391 -18.1034 -19.2174 -18.1033 -0.407729 -21.8074 -19.2173 -21.8075 10.3451 GPRESSAVG: 443600 -20.5104 -15.6983 -18.3191 -19.8709 -0.309593 -22.0632 -18.6181 -21.5234 11.0783 TIMING: 443600 CPU: 1463.2, 0.00314537/step Wall: 1463.2, 0.00314537/step, 3.98099 hours remaining, 232.031250 MB of memory in use. ENERGY: 443600 3948.3968 20620.9932 14457.5752 236.1700 -203037.6438 2385.5539 0.0000 0.0000 52216.3806 -109172.5741 300.0883 -161388.9548 -108811.7050 299.7794 -237.1289 -205.6423 760724.5347 -3.3006 -3.2472 PRESSURE: 443800 231.884 76.3781 324.917 76.378 -81.2464 -122.96 324.917 -122.96 256.479 GPRESSURE: 443800 163.296 -32.8348 294.639 111.821 30.0134 -82.9384 149.398 -130.464 323.834 PRESSAVG: 443800 27.0533 -28.1297 -20.4649 -28.1297 -4.01556 47.3497 -20.4649 47.3497 -20.7373 GPRESSAVG: 443800 27.1506 -29.8596 -20.7459 -28.0086 -3.92533 47.8165 -21.3212 46.0981 -21.3605 TIMING: 443800 CPU: 1463.82, 0.00313081/step Wall: 1463.82, 0.00313081/step, 3.96239 hours remaining, 232.031250 MB of memory in use. ENERGY: 443800 3884.6728 20581.0293 14384.5011 267.2669 -202959.3462 2349.5361 0.0000 0.0000 52184.8673 -109307.4727 299.9071 -161492.3400 -108941.0004 300.0763 135.7053 172.3812 759738.1721 0.7668 0.6216 PRESSURE: 444000 -178.431 -90.7454 92.5255 -90.7455 -129.397 -38.0943 92.5256 -38.0934 -123.654 GPRESSURE: 444000 -133.331 -196.283 56.4302 -59.9691 -76.5088 -66.2185 30.0659 -13.9301 -120.911 PRESSAVG: 444000 13.4682 -45.9822 36.6758 -45.9822 29.6275 11.4596 36.6758 11.4596 -1.14722 GPRESSAVG: 444000 14.1235 -45.8508 36.302 -45.0861 30.9903 11.6486 37.4783 11.7381 -2.39514 TIMING: 444000 CPU: 1464.45, 0.00313367/step Wall: 1464.45, 0.00313367/step, 3.96583 hours remaining, 232.031250 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: 444000 3951.0951 20463.2470 14516.9720 243.3460 -203204.4197 2340.2603 0.0000 0.0000 52185.5194 -109503.9797 299.9109 -161689.4991 -109135.4554 299.6240 -143.8273 -110.2500 759891.0434 13.9828 14.2396 PRESSURE: 444200 -92.5586 -184.818 71.1981 -184.817 -627.912 398.783 71.1978 398.783 0.565603 GPRESSURE: 444200 -67.3257 -216.958 140.934 -193.631 -544.782 353.949 160.468 398.084 -21.6336 PRESSAVG: 444200 46.0513 -69.6419 39.7282 -69.6419 -52.3527 -5.97117 39.7282 -5.97115 -12.2206 GPRESSAVG: 444200 45.5752 -69.7318 40.9583 -68.7413 -53.174 -5.57839 41.8512 -6.61415 -11.2485 TIMING: 444200 CPU: 1465.08, 0.0031352/step Wall: 1465.08, 0.0031352/step, 3.96759 hours remaining, 232.031250 MB of memory in use. ENERGY: 444200 3996.2392 20569.1067 14457.3645 249.8162 -202701.3348 1968.8437 0.0000 0.0000 52181.6717 -109278.2927 299.8888 -161459.9644 -108921.0584 299.4032 -239.9683 -211.2471 761595.3961 -6.1740 -6.2824 LDB: ============= START OF LOAD BALANCING ============== 1477.5 LDB: ============== END OF LOAD BALANCING =============== 1477.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1477.5 LDB: ============= START OF LOAD BALANCING ============== 1477.81 LDB: Largest compute 7057 load 0.032910 is 16.9% of average load 0.195161 LDB: Average compute 0.004389 is 2.2% of average load 0.195161 LDB: TIME 1477.82 LOAD: AVG 0.195161 MAX 0.214837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1477.82 LOAD: AVG 0.195161 MAX 0.214837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: TIME 1477.82 LOAD: AVG 0.195161 MAX 0.214837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: ============== END OF LOAD BALANCING =============== 1477.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1477.82 PRESSURE: 444400 -18.2139 42.9363 149.795 42.9359 96.5503 -78.1563 149.796 -78.1565 423.864 GPRESSURE: 444400 46.9482 -5.66357 167.817 81.8279 -9.03262 -163.083 77.9387 -99.7423 533.897 PRESSAVG: 444400 37.0513 2.11072 3.24002 2.11068 -17.5356 27.2739 3.24003 27.2738 -3.18082 GPRESSAVG: 444400 38.3496 2.21815 2.02283 1.07012 -17.4985 25.162 2.28789 26.4436 -3.75431 TIMING: 444400 CPU: 1465.72, 0.00320288/step Wall: 1465.72, 0.00320288/step, 4.05307 hours remaining, 231.644531 MB of memory in use. ENERGY: 444400 3979.0913 20637.7823 14464.7705 241.8735 -203389.0170 2669.2887 0.0000 0.0000 52068.3431 -109327.8676 299.2375 -161396.2107 -108969.2705 299.9023 167.4002 190.6040 761784.4004 5.4450 5.6989 PRESSURE: 444600 -255.494 -35.0302 177.968 -35.0306 -365.327 63.9332 177.968 63.9337 -100.935 GPRESSURE: 444600 -149.701 -101.846 160.638 -31.0485 -338.967 38.3973 160.851 110.083 -180.894 PRESSAVG: 444600 12.1961 -20.4551 31.821 -20.4551 -10.5615 -12.2601 31.8209 -12.26 -12.5903 GPRESSAVG: 444600 11.8295 -21.5043 31.1988 -19.1677 -9.7877 -9.92897 29.9459 -11.2494 -13.1419 TIMING: 444600 CPU: 1466.34, 0.00313504/step Wall: 1466.34, 0.00313504/step, 3.96704 hours remaining, 231.644531 MB of memory in use. ENERGY: 444600 3977.3911 20621.6021 14515.7407 235.2030 -203166.7635 2139.2446 0.0000 0.0000 52160.5373 -109517.0448 299.7673 -161677.5821 -109152.6018 299.5888 -240.5854 -223.1869 759445.9488 -3.6519 -3.7000 PRESSURE: 444800 -167.131 42.1914 3.57489 42.1932 -62.2263 136.772 3.57476 136.772 -0.919604 GPRESSURE: 444800 -101.59 127.7 15.9293 -72.4084 -53.5475 51.0268 124.343 170.409 17.4913 PRESSAVG: 444800 -7.11124 -25.9394 -1.63558 -25.9394 -18.1133 -47.7968 -1.63562 -47.7968 -0.663611 GPRESSAVG: 444800 -6.72773 -24.7026 0.0823267 -27.6355 -19.0365 -49.3463 -0.212155 -48.0465 0.16553 TIMING: 444800 CPU: 1466.97, 0.00314396/step Wall: 1466.97, 0.00314396/step, 3.97816 hours remaining, 231.644531 MB of memory in use. ENERGY: 444800 4037.3640 20464.2005 14512.7020 251.9784 -203663.7598 2867.3351 0.0000 0.0000 52080.0615 -109450.1182 299.3048 -161530.1797 -109088.5850 299.4840 -76.7590 -45.8819 761259.7407 -8.6294 -8.5329 PRESSURE: 445000 0.911625 -15.7239 90.8892 -15.7236 -134.585 114.868 90.8886 114.867 139.583 GPRESSURE: 445000 75.2249 32.5848 -51.2125 1.25013 -4.47912 35.6732 23.4653 245.899 12.0909 PRESSAVG: 445000 -46.9897 5.07504 41.4319 5.07506 -10.7846 44.5493 41.432 44.5493 -1.25938 GPRESSAVG: 445000 -46.9051 3.54304 41.213 7.19844 -10.5249 45.1856 40.0825 44.399 -1.43778 TIMING: 445000 CPU: 1467.6, 0.00312923/step Wall: 1467.6, 0.00312923/step, 3.95934 hours remaining, 231.644531 MB of memory in use. ENERGY: 445000 4010.7926 20486.1270 14485.4010 241.8873 -203598.2903 2881.6963 0.0000 0.0000 52095.6134 -109396.7726 299.3942 -161492.3860 -109038.9298 299.6051 1.9699 27.6122 760178.5613 -19.6779 -19.6226 PRESSURE: 445200 -196.034 34.0802 -63.9109 34.08 80.385 -60.28 -63.9109 -60.2791 -264.545 GPRESSURE: 445200 -64.2576 31.1377 -95.3014 1.12761 -34.2776 -125.515 -44.7919 -10.7691 -195.947 PRESSAVG: 445200 53.2432 16.1908 5.53955 16.1908 -44.1999 16.0527 5.53958 16.0526 1.14244 GPRESSAVG: 445200 52.7303 18.5958 5.15793 15.3964 -44.2339 15.8338 6.14294 16.0849 1.5247 TIMING: 445200 CPU: 1468.23, 0.00314812/step Wall: 1468.23, 0.00314812/step, 3.98308 hours remaining, 231.644531 MB of memory in use. ENERGY: 445200 4001.5400 20602.8912 14418.0419 253.6279 -203402.5177 2672.5584 0.0000 0.0000 52183.3760 -109270.4821 299.8986 -161453.8581 -108914.0593 299.4246 -126.7313 -98.1608 760695.4684 3.3953 3.3404 PRESSURE: 445400 164.041 -54.8861 264.298 -54.8855 306.55 212.719 264.298 212.719 251.665 GPRESSURE: 445400 257.68 -146.219 270.714 -94.3894 296.805 160.935 164.243 214.575 248.599 PRESSAVG: 445400 34.1531 -17.3296 13.0563 -17.3296 49.3172 -14.8265 13.0563 -14.8264 -8.17157 GPRESSAVG: 445400 34.4136 -18.5628 12.6309 -18.4989 49.6907 -14.0704 13.8637 -17.8406 -9.30825 TIMING: 445400 CPU: 1468.86, 0.00313847/step Wall: 1468.86, 0.00313847/step, 3.97068 hours remaining, 231.644531 MB of memory in use. ENERGY: 445400 3970.8731 20674.7111 14410.1277 240.3674 -203853.9059 2914.9702 0.0000 0.0000 52309.1992 -109333.6571 300.6217 -161642.8562 -108972.9859 299.0977 240.7520 267.6945 758895.1640 25.0996 24.9320 PRESSURE: 445600 -100.687 44.2702 -46.1456 44.2706 -8.9165 -50.8224 -46.1457 -50.8223 -214.43 GPRESSURE: 445600 21.4961 1.08917 -118.316 -24.5279 -17.9233 -87.2598 -163.421 88.5238 -216.892 PRESSAVG: 445600 57.2694 -4.08193 28.6761 -4.08193 -63.1131 22.3808 28.676 22.3808 -13.4223 GPRESSAVG: 445600 57.4122 -4.16723 28.0194 -3.21161 -62.8089 22.4741 28.3155 26.3881 -13.0391 TIMING: 445600 CPU: 1469.48, 0.00312989/step Wall: 1469.48, 0.00312989/step, 3.95966 hours remaining, 231.644531 MB of memory in use. ENERGY: 445600 4050.0867 20615.6744 14423.6533 247.5250 -203288.4268 2455.4090 0.0000 0.0000 52159.4945 -109336.5839 299.7613 -161496.0784 -108981.8798 299.3124 -108.0114 -71.1063 759016.1331 -6.4220 -6.1453 PRESSURE: 445800 55.8748 -25.7625 -94.4806 -25.7626 -162.109 199.751 -94.4802 199.751 -100.905 GPRESSURE: 445800 53.6218 -77.211 -57.2388 -52.4517 -158.653 178.474 -52.7939 129.943 -35.636 PRESSAVG: 445800 0.426438 -54.0289 -26.8412 -54.0289 1.60919 55.678 -26.8412 55.6781 0.698375 GPRESSAVG: 445800 -0.203417 -52.2644 -24.1299 -52.4809 1.27426 53.8133 -25.7534 52.879 1.92836 TIMING: 445800 CPU: 1470.11, 0.00313912/step Wall: 1470.11, 0.00313912/step, 3.97117 hours remaining, 231.644531 MB of memory in use. ENERGY: 445800 4033.0150 20477.5193 14469.7762 266.4456 -203485.7274 2672.1344 0.0000 0.0000 51970.7997 -109596.0371 298.6769 -161566.8369 -109235.8310 299.2733 -69.0464 -46.8890 760473.6082 0.9113 0.9997 PRESSURE: 446000 -151.806 -3.89621 -155.766 -3.8964 -251.981 -129.326 -155.766 -129.326 169.81 GPRESSURE: 446000 -166.703 62.4276 -180.285 -33.5867 -155.415 -107.669 -180.299 -240.677 188.382 PRESSAVG: 446000 5.8093 -111.529 -34.685 -111.529 13.717 -2.62759 -34.685 -2.62768 17.9478 GPRESSAVG: 446000 5.32676 -113.182 -37.2219 -111.807 14.3941 -1.36931 -34.7303 -3.84928 17.1735 TIMING: 446000 CPU: 1470.74, 0.00313962/step Wall: 1470.74, 0.00313962/step, 3.97162 hours remaining, 231.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 446000 3960.7076 20499.4760 14451.8187 230.5787 -203512.9814 2778.6543 0.0000 0.0000 52029.6214 -109562.1247 299.0149 -161591.7462 -109204.7673 299.2475 -77.9923 -44.5788 760004.6066 12.4914 12.2981 PRESSURE: 446200 404.718 -78.998 -140.926 -78.9989 18.984 17.4633 -140.926 17.4645 203.98 GPRESSURE: 446200 432.421 -137.118 -37.2855 -114.544 32.8845 -59.4 -121.243 143.042 242.681 PRESSAVG: 446200 26.0197 -48.1648 1.80686 -48.1648 -16.7866 21.9111 1.80684 21.9111 -20.008 GPRESSAVG: 446200 27.4804 -48.1037 5.04588 -50.6531 -17.1574 21.6546 1.63319 22.2638 -21.2585 TIMING: 446200 CPU: 1471.37, 0.00315631/step Wall: 1471.37, 0.00315631/step, 3.99255 hours remaining, 231.644531 MB of memory in use. ENERGY: 446200 4026.1276 20406.0260 14465.4700 238.6089 -203625.5180 2992.4594 0.0000 0.0000 52107.8382 -109388.9880 299.4645 -161496.8262 -109026.0158 299.6734 209.2273 235.9956 761846.9696 -3.5916 -3.6452 PRESSURE: 446400 62.6313 83.9803 88.8758 83.9795 -145.982 94.6494 88.8759 94.6502 -396.934 GPRESSURE: 446400 72.9934 66.1203 32.6121 5.41431 -189.332 144.903 29.3605 13.825 -289.515 PRESSAVG: 446400 28.8089 -19.0686 -34.0827 -19.0686 20.0184 23.8479 -34.0826 23.8479 -12.399 GPRESSAVG: 446400 28.6756 -17.927 -34.7521 -17.8811 18.3906 24.0677 -35.2257 24.1817 -11.4106 TIMING: 446400 CPU: 1472, 0.00313008/step Wall: 1472, 0.00313008/step, 3.9592 hours remaining, 231.644531 MB of memory in use. ENERGY: 446400 3945.6616 20364.6544 14474.2832 239.5183 -203365.1967 2676.3834 0.0000 0.0000 52304.1688 -109360.5270 300.5928 -161664.6959 -108990.5815 299.5015 -160.0949 -135.2844 761225.0850 12.1428 11.8852 PRESSURE: 446600 -363.286 -124.613 -85.1727 -124.613 -178.455 184.06 -85.1724 184.06 -113.466 GPRESSURE: 446600 -323.848 -292.702 -146.698 -31.2094 -108.765 281.629 -155.504 78.3845 -123.792 PRESSAVG: 446600 4.80208 -26.1788 -11.3505 -26.1788 -25.2235 -53.7787 -11.3505 -53.7786 15.7637 GPRESSAVG: 446600 3.06405 -26.8872 -12.5872 -28.8787 -24.3003 -53.9333 -10.6358 -51.9411 16.555 TIMING: 446600 CPU: 1472.62, 0.00314311/step Wall: 1472.62, 0.00314311/step, 3.97552 hours remaining, 231.644531 MB of memory in use. ENERGY: 446600 4015.1731 20563.0408 14448.9304 250.9758 -203128.2693 2449.5997 0.0000 0.0000 52035.8618 -109364.6876 299.0508 -161400.5494 -109001.3596 299.2537 -218.4022 -185.4685 760623.0708 -1.5526 -1.5604 PRESSURE: 446800 410.791 -148.073 -236.163 -148.073 -295.55 57.0247 -236.162 57.0241 168.157 GPRESSURE: 446800 479.693 0.50489 -225.662 -85.5098 -252.122 92.5068 -264.639 34.9047 138.859 PRESSAVG: 446800 43.5781 -78.6832 -20.4334 -78.6832 -59.3052 1.86306 -20.4334 1.86306 -1.25044 GPRESSAVG: 446800 45.2774 -76.6266 -20.9629 -75.9722 -59.2585 1.5956 -21.3123 2.05862 -3.06571 TIMING: 446800 CPU: 1473.25, 0.00315167/step Wall: 1473.25, 0.00315167/step, 3.98616 hours remaining, 231.644531 MB of memory in use. ENERGY: 446800 3993.7893 20470.5196 14379.7960 250.1022 -202970.0949 2423.3609 0.0000 0.0000 52098.6965 -109353.8305 299.4119 -161452.5270 -108994.8342 299.4284 94.4658 122.1435 759861.8707 -5.6592 -5.6823 PRESSURE: 447000 -83.4038 66.1613 41.1493 66.1618 87.7259 -125.009 41.1489 -125.008 -153.156 GPRESSURE: 447000 10.6176 -18.5331 69.2388 -37.5745 23.3614 -75.3413 -1.23507 24.0259 -95.882 PRESSAVG: 447000 -35.8964 -28.6573 -52.9621 -28.6573 54.8904 -5.2864 -52.9622 -5.28642 -0.5047 GPRESSAVG: 447000 -35.8351 -30.4138 -51.8177 -29.8699 54.5071 -5.29161 -53.084 -5.08253 -0.198549 TIMING: 447000 CPU: 1473.88, 0.00314666/step Wall: 1473.88, 0.00314666/step, 3.97965 hours remaining, 231.644531 MB of memory in use. ENERGY: 447000 3985.8492 20405.1580 14470.5505 253.4067 -203138.3271 2449.4626 0.0000 0.0000 52131.3223 -109442.5778 299.5994 -161573.9001 -109075.3303 299.3805 -49.6113 -20.6343 759719.3968 6.1631 6.1578 PRESSURE: 447200 -4.44071 -44.0488 -29.6251 -44.0488 -56.1311 298.979 -29.6248 298.979 149.345 GPRESSURE: 447200 94.3178 0.0354291 -13.6753 -85.1151 -69.4854 345.803 -21.5892 269.588 151.15 PRESSAVG: 447200 51.064 -17.2489 8.3719 -17.2488 5.12119 25.3038 8.37188 25.3038 -4.28299 GPRESSAVG: 447200 50.4037 -18.0552 8.28009 -16.1331 5.1985 27.2726 8.59019 23.2936 -3.53803 TIMING: 447200 CPU: 1474.51, 0.00314516/step Wall: 1474.51, 0.00314516/step, 3.97758 hours remaining, 231.644531 MB of memory in use. ENERGY: 447200 3980.5352 20354.4724 14441.0794 253.1101 -203244.2865 2598.7368 0.0000 0.0000 51954.1979 -109662.1547 298.5815 -161616.3526 -109309.0761 298.7506 29.5911 58.6609 758641.8129 17.3007 17.3547 PRESSURE: 447400 24.8861 -69.1853 -22.0467 -69.185 161.719 233.3 -22.0472 233.301 102.157 GPRESSURE: 447400 84.1527 -10.2355 31.8021 -118.38 222.41 238.326 29.8151 281.606 60.7726 PRESSAVG: 447400 57.9443 -31.8077 -7.5401 -31.8076 -60.9202 -4.68919 -7.54011 -4.68919 1.28588 GPRESSAVG: 447400 59.1723 -30.1407 -7.69987 -33.6641 -61.3397 -5.19482 -5.74103 -1.95909 0.148636 TIMING: 447400 CPU: 1475.14, 0.00315151/step Wall: 1475.14, 0.00315151/step, 3.98544 hours remaining, 231.644531 MB of memory in use. ENERGY: 447400 3977.5842 20435.5129 14525.3963 232.2933 -203241.8867 2468.2141 0.0000 0.0000 52147.8343 -109455.0516 299.6943 -161602.8859 -109091.4550 299.1145 96.2541 122.4450 760528.2149 -0.5633 -0.6729 PRESSURE: 447600 -255.353 -4.35408 -204.452 -4.35359 -71.7751 -97.4966 -204.452 -97.4961 -209.551 GPRESSURE: 447600 -240.794 5.20222 -199.403 61.6865 -33.6539 -67.0451 -178.938 -25.511 -189.329 PRESSAVG: 447600 -45.3157 -0.131598 -37.7317 -0.131583 37.723 55.4151 -37.7318 55.4151 12.185 GPRESSAVG: 447600 -46.056 0.738313 -38.9875 1.31928 37.2562 54.2607 -38.2238 54.957 13.139 TIMING: 447600 CPU: 1475.77, 0.00313166/step Wall: 1475.77, 0.00313166/step, 3.96016 hours remaining, 231.644531 MB of memory in use. ENERGY: 447600 3939.4961 20571.5832 14452.2131 242.5606 -203059.1849 2324.8231 0.0000 0.0000 52114.4247 -109414.0841 299.5023 -161528.5088 -109045.3789 299.0980 -178.8932 -154.5921 761459.3131 1.5308 1.4464 PRESSURE: 447800 79.3805 151.948 191.304 151.948 269.201 257.693 191.304 257.694 344.036 GPRESSURE: 447800 79.802 109.245 199.756 56.6115 336.571 306.859 278.469 285.768 341.769 PRESSAVG: 447800 -13.4075 -7.38694 -2.50448 -7.38694 41.8607 73.1982 -2.50448 73.1983 -21.5267 GPRESSAVG: 447800 -13.3234 -8.38717 -0.363127 -8.53559 42.5992 74.3895 -3.55071 72.1798 -22.7068 TIMING: 447800 CPU: 1476.4, 0.00315298/step Wall: 1476.4, 0.00315298/step, 3.98695 hours remaining, 231.644531 MB of memory in use. ENERGY: 447800 3897.4450 20356.4854 14433.7186 238.6838 -203299.1658 2927.5451 0.0000 0.0000 51996.4544 -109448.8335 298.8243 -161445.2879 -109088.8920 299.3365 230.8726 252.7140 759513.9330 2.3088 2.1896 PRESSURE: 448000 289.262 -33.0574 -300.24 -33.0575 127.253 51.544 -300.24 51.5465 -383.682 GPRESSURE: 448000 361.28 -61.8915 -316.278 -28.457 116.899 95.7058 -246.216 -35.0452 -345.529 PRESSAVG: 448000 37.0421 -35.8884 11.3172 -35.8884 -13.4252 54.2809 11.3173 54.2809 29.7499 GPRESSAVG: 448000 37.4077 -37.9738 10.1221 -33.2003 -13.8255 53.2047 12.2196 54.554 30.2094 TIMING: 448000 CPU: 1477.03, 0.0031544/step Wall: 1477.03, 0.0031544/step, 3.98856 hours remaining, 231.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 448000 3908.0951 20440.4816 14494.9200 236.1188 -203212.0347 2447.7987 0.0000 0.0000 52012.1097 -109672.5107 298.9143 -161684.6204 -109311.1602 298.6189 10.9446 44.2168 759575.8864 17.7889 17.9305 PRESSURE: 448200 -226.09 -53.4245 23.8294 -53.4253 131.684 265.56 23.8285 265.561 -71.8415 GPRESSURE: 448200 -106.256 62.9043 18.7898 36.845 92.8704 320.583 22.3254 255.552 -61.2976 PRESSAVG: 448200 -36.4589 -3.35474 -11.5816 -3.35479 -41.7636 73.4083 -11.5816 73.4083 6.35544 GPRESSAVG: 448200 -36.8856 -1.04891 -10.4484 -4.23186 -40.8474 72.3197 -10.505 72.1366 5.80762 TIMING: 448200 CPU: 1477.66, 0.00312934/step Wall: 1477.66, 0.00312934/step, 3.9567 hours remaining, 231.644531 MB of memory in use. ENERGY: 448200 3966.0072 20549.5312 14469.8720 223.5600 -203230.9136 2533.1499 0.0000 0.0000 51831.4821 -109657.3111 297.8762 -161488.7932 -109301.4760 298.4966 -55.4159 -24.8944 761126.0883 -23.9557 -23.9751 LDB: ============= START OF LOAD BALANCING ============== 1490.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1490.08 LDB: =============== DONE WITH MIGRATION ================ 1490.08 LDB: ============= START OF LOAD BALANCING ============== 1490.39 LDB: Largest compute 7075 load 0.032936 is 16.9% of average load 0.195245 LDB: Average compute 0.004386 is 2.2% of average load 0.195245 LDB: TIME 1490.39 LOAD: AVG 0.195245 MAX 0.215242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.469 MB LDB: TIME 1490.4 LOAD: AVG 0.195245 MAX 0.215242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.508 MB LDB: TIME 1490.4 LOAD: AVG 0.195245 MAX 0.215242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.508 MB LDB: ============== END OF LOAD BALANCING =============== 1490.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1490.4 PRESSURE: 448400 -98.7519 -164.945 57.3824 -164.946 60.0566 -106.503 57.383 -106.502 101.751 GPRESSURE: 448400 -29.851 -189.662 -66.948 -222.837 38.2281 -114.944 27.9052 -90.6517 148.912 PRESSAVG: 448400 24.9212 -60.5711 -39.6384 -60.5711 15.3403 34.2231 -39.6384 34.223 4.78163 GPRESSAVG: 448400 25.0376 -60.723 -40.3767 -60.6622 15.5527 35.8435 -42.1304 35.1416 4.74043 TIMING: 448400 CPU: 1478.3, 0.00319725/step Wall: 1478.3, 0.00319725/step, 4.04239 hours remaining, 230.617188 MB of memory in use. ENERGY: 448400 3952.7338 20356.4517 14474.8472 230.9088 -203434.7698 2614.9132 0.0000 0.0000 51907.7829 -109897.1321 298.3147 -161804.9150 -109538.9490 298.4170 21.0184 52.4298 758068.1697 15.0144 15.1102 PRESSURE: 448600 -52.1253 325.637 35.1144 325.638 347.752 -74.0306 35.1144 -74.03 101.477 GPRESSURE: 448600 -66.2783 272.123 107.697 248.051 359.633 -80.8401 -87.094 -5.41716 202.153 PRESSAVG: 448600 68.8819 -9.70982 -56.7085 -9.7098 -33.2467 3.94051 -56.7085 3.94059 5.41123 GPRESSAVG: 448600 67.9075 -10.984 -56.914 -10.048 -32.7666 2.46279 -56.8297 4.99402 5.3711 TIMING: 448600 CPU: 1478.92, 0.00312367/step Wall: 1478.92, 0.00312367/step, 3.94919 hours remaining, 230.617188 MB of memory in use. ENERGY: 448600 3913.3214 20350.0872 14493.0826 236.2178 -203357.6184 2220.7759 0.0000 0.0000 52227.6873 -109916.4462 300.1532 -162144.1335 -109549.5389 298.4846 132.3681 165.1692 758682.3355 13.6821 13.5040 PRESSURE: 448800 270.354 53.0351 -12.297 53.0353 -252.391 -140.046 -12.2972 -140.046 -82.8311 GPRESSURE: 448800 256.37 108.092 14.0954 72.6333 -139.582 -36.2855 45.7064 -57.8327 -82.8103 PRESSAVG: 448800 3.47836 3.29666 -13.7548 3.29667 -40.1036 -0.681554 -13.7548 -0.681605 23.5079 GPRESSAVG: 448800 4.46325 3.99561 -14.3366 3.2862 -40.4416 -0.275619 -11.5983 -1.27387 22.701 TIMING: 448800 CPU: 1479.55, 0.00312308/step Wall: 1479.55, 0.00312308/step, 3.94826 hours remaining, 230.617188 MB of memory in use. ENERGY: 448800 3946.9282 20558.7342 14446.0898 281.7141 -203328.3060 2253.2866 0.0000 0.0000 51962.4086 -109879.1446 298.6287 -161841.5532 -109524.6700 298.5033 -21.6225 11.3260 758973.6097 -4.3725 -4.4258 PRESSURE: 449000 33.9831 -97.807 124.616 -97.8057 -111.929 -26.98 124.616 -26.9798 74.4947 GPRESSURE: 449000 72.1894 -66.2459 174.1 -78.2625 -189.178 32.3619 -26.407 3.04673 189.951 PRESSAVG: 449000 -8.97361 7.24696 -13.5868 7.24697 -13.9771 23.5754 -13.5867 23.5754 -3.59382 GPRESSAVG: 449000 -8.64011 6.52771 -13.8799 8.04597 -14.4588 24.244 -14.3452 24.7528 -3.32881 TIMING: 449000 CPU: 1480.18, 0.0031498/step Wall: 1480.18, 0.0031498/step, 3.98188 hours remaining, 230.617188 MB of memory in use. ENERGY: 449000 3933.4430 20333.0754 14483.5330 255.0882 -203476.9352 2532.9630 0.0000 0.0000 51971.6544 -109967.1782 298.6818 -161938.8325 -109620.0399 298.7619 -1.1503 24.3209 759011.4338 -8.8482 -8.8092 PRESSURE: 449200 -183.496 116.839 65.217 116.839 -38.4617 84.4028 65.2171 84.4031 -65.9588 GPRESSURE: 449200 -122.882 -8.13463 82.2309 51.2002 13.3216 55.3373 53.1498 150.57 -71.8791 PRESSAVG: 449200 10.4466 -35.2558 7.05061 -35.2558 23.6304 64.8315 7.05067 64.8315 -1.33742 GPRESSAVG: 449200 9.33286 -35.5191 9.72914 -35.8306 24.0299 65.205 7.16386 63.1553 -0.335476 TIMING: 449200 CPU: 1480.8, 0.0031371/step Wall: 1480.8, 0.0031371/step, 3.96564 hours remaining, 230.617188 MB of memory in use. ENERGY: 449200 3859.2517 20417.0123 14523.0799 247.4273 -203262.0700 2356.8214 0.0000 0.0000 51883.8316 -109974.6458 298.1771 -161858.4773 -109612.1150 298.2514 -95.9721 -60.4800 761245.5499 10.9132 11.0091 PRESSURE: 449400 -55.6289 -138.053 271.627 -138.053 -150.194 -81.9708 271.627 -81.9711 -48.3928 GPRESSURE: 449400 -14.1108 -245.539 232.724 -192.237 -166.337 -74.321 285.802 -35.0959 11.482 PRESSAVG: 449400 -65.3593 -65.867 -8.5061 -65.867 79.7619 36.6433 -8.5061 36.6434 2.72647 GPRESSAVG: 449400 -65.2899 -65.6409 -10.1427 -67.4819 80.2934 35.7631 -9.33717 36.8075 1.97999 TIMING: 449400 CPU: 1481.43, 0.00311828/step Wall: 1481.43, 0.00311828/step, 3.94168 hours remaining, 230.617188 MB of memory in use. ENERGY: 449400 3867.1157 20428.4359 14400.2814 255.4711 -203643.5245 2608.0181 0.0000 0.0000 52239.6173 -109844.5849 300.2218 -162084.2022 -109488.0592 298.4835 -84.7386 -56.3221 759512.8371 5.7097 5.6611 PRESSURE: 449600 332.032 168.568 -251.933 168.568 -127.124 177.43 -251.933 177.431 -170.401 GPRESSURE: 449600 243.569 249.263 -220.759 186.003 2.02743 237.109 -298.107 136.798 -131.084 PRESSAVG: 449600 16.6093 13.4217 11.0821 13.4217 -48.2279 4.82163 11.0821 4.82162 -3.61 GPRESSAVG: 449600 16.0267 14.6578 10.4782 14.2876 -48.6859 5.42691 10.4203 6.00886 -2.94562 TIMING: 449600 CPU: 1482.05, 0.00313817/step Wall: 1482.05, 0.00313817/step, 3.96665 hours remaining, 230.617188 MB of memory in use. ENERGY: 449600 3968.4234 20520.1663 14496.1358 236.0609 -203453.3310 2538.4120 0.0000 0.0000 51925.8890 -109768.2438 298.4188 -161694.1327 -109401.9956 298.6975 11.5022 38.1707 760493.1319 -11.7429 -11.8683 PRESSURE: 449800 163.333 96.3044 68.0951 96.3046 -80.6615 -48.6909 68.0955 -48.6913 -105.383 GPRESSURE: 449800 173.636 72.2627 -46.3315 81.8669 -8.50647 0.425183 186.84 -85.4171 -89.3446 PRESSAVG: 449800 50.5184 29.8655 -35.3429 29.8655 -63.6222 -38.3141 -35.3428 -38.3141 5.42773 GPRESSAVG: 449800 51.8133 28.1934 -35.3689 29.0458 -64.2284 -38.4056 -33.766 -38.9329 5.10444 TIMING: 449800 CPU: 1482.68, 0.00312016/step Wall: 1482.68, 0.00312016/step, 3.94371 hours remaining, 230.617188 MB of memory in use. ENERGY: 449800 3960.7249 20555.2877 14507.2822 270.0267 -203340.2584 2488.3627 0.0000 0.0000 51892.5934 -109665.9809 298.2274 -161558.5743 -109307.0334 298.9477 -7.5705 25.2616 760023.3472 -2.5587 -2.4369 PRESSURE: 450000 -205.731 -104.439 157.258 -104.439 -128.609 50.7924 157.258 50.7931 55.4474 GPRESSURE: 450000 -153.811 -180.831 148.46 -79.738 -87.832 35.0952 165.671 124.467 58.3294 PRESSAVG: 450000 34.9623 -10.6382 52.6203 -10.6381 15.7055 -23.677 52.6202 -23.677 -18.5079 GPRESSAVG: 450000 33.6569 -8.80512 52.9693 -9.66942 16.5878 -25.3383 51.5423 -23.7054 -17.5782 TIMING: 450000 CPU: 1483.31, 0.00313875/step Wall: 1483.31, 0.00313875/step, 3.96703 hours remaining, 230.617188 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: 450000 4021.1784 20570.0749 14442.3707 235.0955 -203541.4597 2860.1448 0.0000 0.0000 51819.7621 -109592.8332 297.8089 -161412.5953 -109235.8836 299.0770 -92.9642 -61.1047 761122.7838 10.7200 10.8888 PRESSURE: 450200 353.673 11.6063 8.58101 11.6069 -24.9219 -93.7192 8.58017 -93.7188 -2.79038 GPRESSURE: 450200 322.412 19.6606 19.4539 -51.6013 40.1564 -146.074 -90.9291 -93.9045 55.6032 PRESSAVG: 450200 24.8336 42.1579 -16.7931 42.1578 2.70853 31.8211 -16.7931 31.8212 4.45177 GPRESSAVG: 450200 25.6783 41.8618 -14.9228 39.2392 1.44117 32.8602 -16.5069 30.1758 4.65742 TIMING: 450200 CPU: 1483.93, 0.00311887/step Wall: 1483.93, 0.00311887/step, 3.94173 hours remaining, 230.617188 MB of memory in use. ENERGY: 450200 3976.4590 20349.0817 14490.2757 250.9917 -203585.6214 2711.8543 0.0000 0.0000 52116.0732 -109690.8859 299.5118 -161806.9591 -109320.1466 298.7524 108.6536 139.3907 760172.3841 10.6646 10.5923 PRESSURE: 450400 -48.1834 -61.0198 66.0788 -61.0199 159.14 -30.2781 66.0786 -30.2777 458.441 GPRESSURE: 450400 27.1515 -59.5453 25.9214 14.8849 227.911 -61.2252 72.0466 -113.487 417.697 PRESSAVG: 450400 -1.04539 -24.0723 -2.52305 -24.0723 -29.6922 23.3961 -2.52301 23.3962 -2.97632 GPRESSAVG: 450400 -1.23501 -24.4955 -3.72341 -21.5838 -28.2894 22.0605 -2.71189 24.5785 -4.05386 TIMING: 450400 CPU: 1484.56, 0.003151/step Wall: 1484.56, 0.003151/step, 3.98217 hours remaining, 230.617188 MB of memory in use. ENERGY: 450400 3878.0511 20437.1400 14459.7505 263.6581 -203579.9044 2830.5880 0.0000 0.0000 52015.3758 -109695.3407 298.9331 -161710.7165 -109325.9760 298.7455 189.7990 224.2531 760837.4674 -11.2380 -11.1927 PRESSURE: 450600 -103.61 105.152 -153.422 105.151 -112.974 -87.9819 -153.422 -87.9827 -161.168 GPRESSURE: 450600 -40.7198 40.0592 -121.516 127.699 -81.6045 -181.631 -93.0236 -6.16071 -164.955 PRESSAVG: 450600 -20.1001 -18.7028 -25.7749 -18.7028 43.5124 15.2717 -25.7749 15.2716 -10.2404 GPRESSAVG: 450600 -20.3687 -18.7635 -26.441 -18.8921 42.721 17.1218 -24.3537 15.7019 -9.20003 TIMING: 450600 CPU: 1485.19, 0.00314829/step Wall: 1485.19, 0.00314829/step, 3.97856 hours remaining, 230.617188 MB of memory in use. ENERGY: 450600 4017.1122 20500.8724 14496.2275 245.5439 -203333.0964 2573.9353 0.0000 0.0000 52052.6615 -109446.7437 299.1474 -161499.4051 -109092.6443 299.1867 -125.9175 -95.7597 761544.2891 4.3906 4.3841 PRESSURE: 450800 -114.423 102.304 110.417 102.304 -417.955 114.482 110.417 114.482 -272.519 GPRESSURE: 450800 -128.191 -20.2126 160.196 56.9875 -298.807 86.0776 151.018 -95.2875 -313.779 PRESSAVG: 450800 27.0336 8.69963 -27.2444 8.69964 -3.46797 -36.8034 -27.2443 -36.8034 -3.40543 GPRESSAVG: 450800 27.0099 8.90371 -28.5655 5.55038 -2.91014 -37.0382 -27.5843 -37.1824 -3.64488 TIMING: 450800 CPU: 1485.82, 0.00313326/step Wall: 1485.82, 0.00313326/step, 3.95939 hours remaining, 230.617188 MB of memory in use. ENERGY: 450800 3967.7974 20704.0462 14458.0743 253.3655 -203516.6297 2379.1147 0.0000 0.0000 52131.5729 -109622.6586 299.6009 -161754.2315 -109263.9012 299.6688 -268.2988 -246.9255 762389.0130 6.7201 6.8183 PRESSURE: 451000 -312.871 -336.43 124.973 -336.431 329.544 -63.3652 124.973 -63.3654 6.34922 GPRESSURE: 451000 -161.801 -294.181 99.9079 -230.853 214.192 -31.9523 66.5852 -107.434 62.0205 PRESSAVG: 451000 11.7003 22.777 -13.1277 22.777 -48.1876 -24.9419 -13.1277 -24.942 17.3032 GPRESSAVG: 451000 13.3558 24.8097 -12.4069 26.1099 -50.1466 -24.5282 -13.3253 -26.0885 17.4869 TIMING: 451000 CPU: 1486.44, 0.00314012/step Wall: 1486.44, 0.00314012/step, 3.96789 hours remaining, 230.617188 MB of memory in use. ENERGY: 451000 3992.8482 20427.4318 14524.0745 238.3436 -203559.4993 2745.1298 0.0000 0.0000 52171.4329 -109460.2385 299.8299 -161631.6715 -109087.0886 299.4333 7.6741 38.1372 763211.7465 -6.3947 -6.4346 PRESSURE: 451200 260.705 3.96397 76.7472 3.96391 41.2275 13.5884 76.7467 13.5881 191.546 GPRESSURE: 451200 310.174 48.1874 64.1854 -101.954 153.75 -99.2087 108.842 100.495 142.495 PRESSAVG: 451200 -3.71187 -41.1085 8.37729 -41.1086 2.02796 27.6467 8.37726 27.6467 -14.6587 GPRESSAVG: 451200 -6.35605 -44.4693 9.93016 -42.4084 5.83346 27.5104 9.98857 28.3886 -15.9562 TIMING: 451200 CPU: 1487.07, 0.00314467/step Wall: 1487.07, 0.00314467/step, 3.97347 hours remaining, 230.617188 MB of memory in use. ENERGY: 451200 3937.7839 20409.3014 14542.0049 244.8573 -203536.1772 2871.9983 0.0000 0.0000 52118.0318 -109412.1996 299.5230 -161530.2314 -109057.0389 299.6369 164.4929 202.1396 760204.9220 -5.4475 -5.4929 PRESSURE: 451400 -199.779 154.208 -126.47 154.208 -26.064 -59.0874 -126.47 -59.0883 -444.747 GPRESSURE: 451400 -230.957 90.408 -91.3875 164.378 -60.828 -9.52814 -115.125 41.8297 -296.409 PRESSAVG: 451400 1.43207 16.1375 -10.4051 16.1375 -7.16865 54.4441 -10.4051 54.4441 -16.0707 GPRESSAVG: 451400 2.17162 17.4454 -9.94786 16.3853 -8.42058 54.2197 -13.3145 54.331 -15.2423 TIMING: 451400 CPU: 1487.7, 0.00312718/step Wall: 1487.7, 0.00312718/step, 3.95119 hours remaining, 230.617188 MB of memory in use. ENERGY: 451400 4058.9309 20573.7382 14448.2344 254.9153 -203359.2651 2436.2894 0.0000 0.0000 52047.5357 -109539.6213 299.1179 -161587.1569 -109181.2076 299.4095 -223.5298 -196.0649 762559.6186 -7.2691 -7.1638 PRESSURE: 451600 165.545 -69.9439 15.2036 -69.9431 91.7113 -71.1724 15.2046 -71.1738 441.526 GPRESSURE: 451600 202.983 -47.5294 -44.7121 -35.004 200.497 -130.038 39.8046 -143.764 345.755 PRESSAVG: 451600 22.7617 -2.30442 -5.1996 -2.30449 1.02627 4.46717 -5.19956 4.46721 6.97516 GPRESSAVG: 451600 23.4424 -3.07957 -6.49181 -2.23007 0.640968 3.05502 -4.86004 7.19258 6.98746 TIMING: 451600 CPU: 1488.33, 0.00313804/step Wall: 1488.33, 0.00313804/step, 3.96474 hours remaining, 230.617188 MB of memory in use. ENERGY: 451600 3985.7789 20579.1687 14438.1944 231.8556 -203255.6128 2393.4298 0.0000 0.0000 52026.1690 -109601.0164 298.9951 -161627.1854 -109238.7431 299.3850 232.9276 249.7451 761557.7783 10.2544 10.3569 PRESSURE: 451800 -126.771 39.8137 -69.1205 39.8131 13.8466 -161.57 -69.1205 -161.569 25.0673 GPRESSURE: 451800 -76.5054 -21.6416 -83.7985 4.18936 95.0741 -117.919 -13.5836 -161.707 -33.0125 PRESSAVG: 451800 32.882 -49.4837 -34.3323 -49.4837 0.0961615 43.5448 -34.3322 43.5447 -23.2519 GPRESSAVG: 451800 32.0583 -50.8746 -34.7481 -48.5975 0.646558 45.115 -33.77 41.2415 -23.0035 TIMING: 451800 CPU: 1488.95, 0.00312557/step Wall: 1488.95, 0.00312557/step, 3.94881 hours remaining, 230.617188 MB of memory in use. ENERGY: 451800 3910.9771 20457.6372 14468.2913 243.4214 -203472.8530 2694.7077 0.0000 0.0000 51766.9483 -109930.8700 297.5054 -161697.8183 -109576.4078 298.7211 -29.2858 -4.8146 761100.8450 3.2421 3.2338 PRESSURE: 452000 -23.2118 4.02224 -75.5692 4.02285 192.558 253.137 -75.5689 253.138 -57.5555 GPRESSURE: 452000 14.8619 -7.91366 -68.5898 43.0113 193.055 236.784 -121.623 219.915 0.883261 PRESSAVG: 452000 20.5796 -49.2039 29.7818 -49.2039 -23.403 -31.6672 29.7818 -31.6672 8.36631 GPRESSAVG: 452000 20.4158 -47.0224 29.5814 -51.1947 -22.7923 -32.7982 29.3716 -33.2769 8.6582 TIMING: 452000 CPU: 1489.58, 0.00313148/step Wall: 1489.58, 0.00313148/step, 3.9561 hours remaining, 230.617188 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: 452000 3964.4093 20444.8844 14404.6360 224.7656 -203831.7560 2691.3675 0.0000 0.0000 51903.6782 -110198.0151 298.2912 -162101.6933 -109843.9871 298.0460 37.2636 69.6000 759399.7092 1.8476 2.0939 PRESSURE: 452200 -223.029 -49.5442 239.42 -49.5433 -566.983 95.4186 239.422 95.4182 -342.259 GPRESSURE: 452200 -228.913 12.4495 294.199 -5.48798 -418.185 113.139 200.519 210.677 -393.334 PRESSAVG: 452200 47.5484 -23.9173 -9.74008 -23.9173 -4.1663 39.8348 -9.74009 39.8348 -6.57516 GPRESSAVG: 452200 49.3185 -25.7957 -9.6277 -20.6335 -4.77436 39.8476 -9.30395 41.9096 -7.50104 TIMING: 452200 CPU: 1490.2, 0.00313486/step Wall: 1490.2, 0.00313486/step, 3.9602 hours remaining, 230.617188 MB of memory in use. ENERGY: 452200 3927.5584 20496.0713 14485.6262 239.8129 -204042.5872 2603.7668 0.0000 0.0000 51958.5402 -110331.2114 298.6064 -162289.7516 -109957.1556 297.7016 -377.4235 -346.8108 760468.0949 12.2690 12.3477 LDB: ============= START OF LOAD BALANCING ============== 1502.62 LDB: ============== END OF LOAD BALANCING =============== 1502.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1502.63 LDB: ============= START OF LOAD BALANCING ============== 1502.94 LDB: Largest compute 7025 load 0.036799 is 18.9% of average load 0.195181 LDB: Average compute 0.004377 is 2.2% of average load 0.195181 LDB: TIME 1502.94 LOAD: AVG 0.195181 MAX 0.217063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.648 MB LDB: TIME 1502.94 LOAD: AVG 0.195181 MAX 0.217063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: TIME 1502.94 LOAD: AVG 0.195181 MAX 0.217063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: ============== END OF LOAD BALANCING =============== 1502.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1502.95 PRESSURE: 452400 -23.9693 -72.0831 20.6205 -72.084 1.87409 365.201 20.6208 365.201 -128.353 GPRESSURE: 452400 -31.8163 -80.6139 126.916 -176.797 16.7655 316 159.343 331.91 -59.7964 PRESSAVG: 452400 -1.39987 0.512478 3.9769 0.512513 -43.7333 54.7014 3.97693 54.7015 -0.783 GPRESSAVG: 452400 -1.94984 1.58647 6.37324 -2.60154 -44.1198 54.4027 2.14611 55.5963 -0.14486 TIMING: 452400 CPU: 1490.84, 0.00318655/step Wall: 1490.84, 0.00318655/step, 4.02532 hours remaining, 232.925781 MB of memory in use. ENERGY: 452400 3987.2570 20508.4823 14394.7615 260.9989 -203844.2925 2795.7085 0.0000 0.0000 51713.0690 -110184.0153 297.1957 -161897.0843 -109829.8497 297.8215 -50.1495 -24.9491 761228.6048 -15.3054 -15.4048 PRESSURE: 452600 -154.69 52.7265 108.244 52.7264 336.858 -177.925 108.244 -177.926 -80.0465 GPRESSURE: 452600 -98.4424 4.63468 6.92687 5.21352 366.324 -126.946 121.434 -142.084 -78.94 PRESSAVG: 452600 -39.5144 -29.1029 66.0714 -29.1029 -7.19946 -40.8231 66.0714 -40.8231 -8.90411 GPRESSAVG: 452600 -39.5392 -29.0903 64.0595 -28.7227 -8.04855 -39.3339 68.0388 -41.4581 -8.33327 TIMING: 452600 CPU: 1491.47, 0.00312493/step Wall: 1491.47, 0.00312493/step, 3.94731 hours remaining, 232.925781 MB of memory in use. ENERGY: 452600 3921.8836 20481.3658 14409.8779 223.6369 -203534.7571 2803.5568 0.0000 0.0000 51801.0723 -109893.3639 297.7015 -161694.4362 -109532.9665 297.9597 34.0407 62.9805 761464.8515 -18.5393 -18.6403 PRESSURE: 452800 -4.93437 156.51 -234.413 156.51 217.443 -151.547 -234.412 -151.548 -85.2226 GPRESSURE: 452800 36.5189 104.726 -317.993 130.747 267.352 -118.979 -105.699 -127.578 -95.3172 PRESSAVG: 452800 24.8365 -25.9539 6.68973 -25.9538 -6.27116 4.44771 6.68972 4.44769 16.8646 GPRESSAVG: 452800 24.6161 -26.7684 7.75861 -23.7478 -5.38785 3.13086 6.5849 3.35237 16.2817 TIMING: 452800 CPU: 1492.09, 0.00312269/step Wall: 1492.09, 0.00312269/step, 3.94431 hours remaining, 232.925781 MB of memory in use. ENERGY: 452800 4015.2656 20599.4678 14469.3457 237.9141 -203410.5113 2492.5069 0.0000 0.0000 51772.9261 -109823.0849 297.5397 -161596.0110 -109480.0165 298.3735 42.4286 69.5179 758994.8843 11.8100 11.8367 PRESSURE: 453000 -251.931 136.939 118.803 136.939 110.57 -99.9046 118.802 -99.9046 -129.635 GPRESSURE: 453000 -209.161 80.7838 102.028 169.052 133.734 -142.58 128.33 -97.109 -102.056 PRESSAVG: 453000 -53.1023 -9.99156 50.4009 -9.99153 20.9341 36.7894 50.4009 36.7894 -3.47064 GPRESSAVG: 453000 -51.5821 -9.09227 48.9709 -11.3694 19.9135 36.8391 50.5051 37.7637 -3.85194 TIMING: 453000 CPU: 1492.72, 0.00312028/step Wall: 1492.72, 0.00312028/step, 3.94109 hours remaining, 232.925781 MB of memory in use. ENERGY: 453000 4107.1551 20498.1816 14479.4637 247.5870 -203554.0457 2537.9088 0.0000 0.0000 51946.2239 -109737.5256 298.5357 -161683.7495 -109381.5824 298.4076 -90.3318 -59.1608 759218.0748 -11.8796 -11.8402 PRESSURE: 453200 -159.872 -189.232 132.974 -189.233 228.357 95.3614 132.974 95.3624 -179.633 GPRESSURE: 453200 -35.0024 -168.246 123.661 -202.586 215.019 41.9074 178.979 12.259 -196.996 PRESSAVG: 453200 15.0984 -8.42835 53.9593 -8.42835 45.172 -19.3438 53.9593 -19.3438 38.2245 GPRESSAVG: 453200 14.3383 -6.0926 56.3146 -7.99068 45.0507 -19.5894 53.0627 -19.3518 38.8882 TIMING: 453200 CPU: 1493.34, 0.00311767/step Wall: 1493.34, 0.00311767/step, 3.93762 hours remaining, 232.925781 MB of memory in use. ENERGY: 453200 3978.1959 20637.6407 14398.4862 244.2371 -203623.5430 2615.5152 0.0000 0.0000 51881.6499 -109867.8181 298.1646 -161749.4680 -109511.4092 298.8702 -37.0492 -5.6598 760412.3352 32.8316 32.7591 PRESSURE: 453400 97.1982 17.285 -105.971 17.2853 -26.8084 56.8829 -105.972 56.8832 -347.621 GPRESSURE: 453400 91.141 81.316 -97.4486 38.4708 -36.0423 143.355 -113.875 166.466 -239.2 PRESSAVG: 453400 -41.9615 27.0643 6.50604 27.0643 66.0732 30.3606 6.50598 30.3606 -24.7448 GPRESSAVG: 453400 -40.2612 24.888 6.87297 26.0811 64.5404 31.0363 6.57476 30.4395 -24.9818 TIMING: 453400 CPU: 1493.97, 0.00314082/step Wall: 1493.97, 0.00314082/step, 3.96667 hours remaining, 232.925781 MB of memory in use. ENERGY: 453400 3979.3072 20592.5026 14458.4045 263.6789 -203610.6576 2582.9511 0.0000 0.0000 52115.5181 -109618.2951 299.5086 -161733.8132 -109264.8405 298.9196 -92.4103 -61.3671 759735.0403 -0.2110 -0.2342 PRESSURE: 453600 -14.7576 -40.2641 205.28 -40.2636 -36.3741 105.701 205.28 105.702 73.028 GPRESSURE: 453600 54.2205 -77.0352 73.6483 7.84187 -42.5639 80.4505 242.448 16.8158 97.9926 PRESSAVG: 453600 11.5477 -35.448 0.358643 -35.448 -45.2773 -12.8689 0.358599 -12.8689 -5.92057 GPRESSAVG: 453600 9.41949 -36.4425 -0.178262 -34.3763 -42.9667 -13.2763 1.66668 -12.7426 -6.5915 TIMING: 453600 CPU: 1494.6, 0.00314946/step Wall: 1494.6, 0.00314946/step, 3.97741 hours remaining, 232.925781 MB of memory in use. ENERGY: 453600 4011.0488 20404.9021 14462.7896 244.2286 -203357.8309 2527.7490 0.0000 0.0000 51917.9831 -109789.1297 298.3734 -161707.1128 -109431.6021 298.6203 7.2988 36.5497 761330.3958 -13.2167 -13.3796 PRESSURE: 453800 -28.1959 -93.518 128.675 -93.5181 -279.809 -65.5313 128.675 -65.5314 -60.1843 GPRESSURE: 453800 -57.4963 -128.017 238.237 -118.443 -174.175 -48.1148 22.743 -86.3741 -33.26 PRESSAVG: 453800 57.5061 -7.86043 10.7527 -7.86054 19.084 12.7744 10.7527 12.7744 -16.8467 GPRESSAVG: 453800 56.2748 -7.73786 10.4285 -6.87036 18.8019 12.6184 8.14632 12.6634 -15.427 TIMING: 453800 CPU: 1495.23, 0.00314242/step Wall: 1495.23, 0.00314242/step, 3.96836 hours remaining, 232.925781 MB of memory in use. ENERGY: 453800 3980.3878 20551.8106 14635.3033 237.9518 -203866.6593 2886.4461 0.0000 0.0000 51959.0995 -109615.6601 298.6097 -161574.7596 -109255.0586 298.7914 -122.7296 -88.3104 759074.2287 19.9145 19.8832 PRESSURE: 454000 -141.975 18.1968 -81.3051 18.1971 81.5345 -35.0441 -81.3057 -35.0436 -174.194 GPRESSURE: 454000 -104.204 156 -163.297 6.61658 48.5579 2.8574 -72.2332 -19.4753 -107.404 PRESSAVG: 454000 13.7447 45.4699 24.0585 45.4698 -10.8798 -37.8564 24.0585 -37.8565 -1.96453 GPRESSAVG: 454000 15.0639 45.7281 22.4567 46.6287 -12.2314 -38.5431 25.5653 -38.9209 -2.53174 TIMING: 454000 CPU: 1495.85, 0.00314438/step Wall: 1495.85, 0.00314438/step, 3.97065 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 454000 3927.7540 20526.7392 14465.4436 238.6761 -203728.7130 2465.0944 0.0000 0.0000 52354.0432 -109750.9625 300.8794 -162105.0057 -109384.8710 298.8274 -78.2115 -54.3500 760673.2477 0.3001 0.1003 PRESSURE: 454200 150.761 58.5254 -17.3609 58.5264 -185.453 -104.017 -17.3614 -104.017 43.2816 GPRESSURE: 454200 173.68 70.9893 103.754 60.6204 -76.0256 -141.679 91.2543 -119.717 -9.37625 PRESSAVG: 454200 12.4608 31.7165 -5.81581 31.7166 8.67242 -17.6055 -5.81584 -17.6056 -4.91532 GPRESSAVG: 454200 12.2187 32.3078 -4.04849 28.6819 8.37854 -17.24 -5.96508 -18.5812 -4.62553 TIMING: 454200 CPU: 1496.49, 0.00316423/step Wall: 1496.49, 0.00316423/step, 3.99554 hours remaining, 232.925781 MB of memory in use. ENERGY: 454200 3988.8764 20408.6080 14373.9270 239.2700 -203518.0526 2739.3721 0.0000 0.0000 52036.1712 -109731.8278 299.0526 -161767.9990 -109377.4736 298.8698 2.8630 29.4261 759834.4672 5.4060 5.3239 PRESSURE: 454400 -336.328 -282.236 48.3877 -282.236 -79.3234 176.06 48.3881 176.061 179.909 GPRESSURE: 454400 -261.456 -197.71 -63.5473 -179.595 -94.2089 113.035 113.955 432.79 208.195 PRESSAVG: 454400 -0.354272 -38.0325 24.3328 -38.0325 22.586 12.077 24.3327 12.0769 19.4389 GPRESSAVG: 454400 -0.103519 -37.6636 24.236 -37.8464 21.7133 10.4584 24.7775 13.9928 19.4902 TIMING: 454400 CPU: 1497.11, 0.00313698/step Wall: 1497.11, 0.00313698/step, 3.96096 hours remaining, 232.925781 MB of memory in use. ENERGY: 454400 4094.7787 20630.7774 14574.7875 271.7822 -203934.9725 2811.2092 0.0000 0.0000 52104.9056 -109446.7319 299.4476 -161551.6375 -109086.8034 299.7867 -78.5808 -49.1567 761826.9765 13.8902 13.7000 PRESSURE: 454600 -55.2196 176.177 -26.8719 176.177 -113.733 -311.602 -26.8707 -311.601 244.724 GPRESSURE: 454600 43.8553 110.665 -27.1008 187.072 -119.365 -275.399 -31.4537 -260.036 252.79 PRESSAVG: 454600 -37.7538 38.1031 11.8845 38.1033 -14.9965 -10.0419 11.8845 -10.0419 12.8915 GPRESSAVG: 454600 -38.0471 37.3456 11.6116 38.4351 -14.0917 -9.56322 10.2144 -10.0132 12.3899 TIMING: 454600 CPU: 1497.74, 0.00313736/step Wall: 1497.74, 0.00313736/step, 3.96126 hours remaining, 232.925781 MB of memory in use. ENERGY: 454600 3963.8664 20725.6669 14452.1003 237.6739 -203427.0534 2719.1222 0.0000 0.0000 51789.4566 -109539.1673 297.6347 -161328.6238 -109190.5491 299.5434 25.2569 59.0935 761584.0968 -13.2863 -13.2496 PRESSURE: 454800 103.521 -25.1413 -38.7815 -25.1407 -168.682 2.4166 -38.7814 2.41646 409.423 GPRESSURE: 454800 51.0502 25.0945 -17.2849 -63.2998 -141.893 15.8807 -31.4681 21.7933 514.772 PRESSAVG: 454800 -75.6047 26.3154 -65.8532 26.3154 38.814 -26.8558 -65.8532 -26.8558 -8.03929 GPRESSAVG: 454800 -76.8181 26.4777 -66.5933 26.9829 39.1643 -25.9477 -63.8526 -28.3517 -7.13534 TIMING: 454800 CPU: 1498.37, 0.00314537/step Wall: 1498.37, 0.00314537/step, 3.9712 hours remaining, 232.925781 MB of memory in use. ENERGY: 454800 3976.9774 20532.6011 14522.5519 226.4372 -203209.2306 2544.1462 0.0000 0.0000 51955.8663 -109450.6505 298.5911 -161406.5168 -109096.9545 299.3900 114.7540 141.3098 759897.7033 -14.9434 -14.9297 PRESSURE: 455000 -55.047 -180.509 65.2113 -180.508 328.722 -210.684 65.2108 -210.684 -98.3517 GPRESSURE: 455000 -33.8732 -97.8146 143.882 -149.845 455.257 -155.476 75.0955 -278.423 -140.147 PRESSAVG: 455000 -9.95155 10.3088 43.2808 10.3087 2.17721 9.51283 43.2809 9.51279 -28.5618 GPRESSAVG: 455000 -9.78788 9.35264 43.7743 10.5026 1.91811 9.65577 42.1411 11.6877 -28.9534 TIMING: 455000 CPU: 1499, 0.00312343/step Wall: 1499, 0.00312343/step, 3.94333 hours remaining, 232.925781 MB of memory in use. ENERGY: 455000 3954.0438 20630.9950 14424.2399 239.3045 -203860.5501 2732.9342 0.0000 0.0000 52246.0544 -109632.9783 300.2588 -161879.0327 -109260.5310 299.3296 58.4412 93.7456 760491.4017 -12.1120 -12.2744 PRESSURE: 455200 188.315 -0.295164 -55.8935 -0.295422 82.5833 21.1394 -55.8943 21.1391 72.3946 GPRESSURE: 455200 175.95 -70.0853 -133.77 -57.023 178.357 25.4617 -88.0903 -116.574 68.0909 PRESSAVG: 455200 -40.1579 12.103 28.2541 12.103 41.6682 -49.8606 28.2542 -49.8605 5.27512 GPRESSAVG: 455200 -39.0102 14.4844 27.7723 9.2422 40.842 -51.114 29.2962 -50.823 4.45522 TIMING: 455200 CPU: 1499.62, 0.00311852/step Wall: 1499.62, 0.00311852/step, 3.93696 hours remaining, 232.925781 MB of memory in use. ENERGY: 455200 3951.1589 20585.2033 14517.0774 255.7772 -204074.4079 2931.0786 0.0000 0.0000 52122.5728 -109711.5397 299.5491 -161834.1125 -109352.4861 299.4198 114.4311 140.7995 762141.4616 2.2618 2.0957 PRESSURE: 455400 -297.974 124.54 -44.5357 124.54 -111.536 23.3976 -44.536 23.3972 -273.897 GPRESSURE: 455400 -259.283 84.9885 -16.8237 191.003 -116.049 69.2762 -107.751 32.5769 -249.199 PRESSAVG: 455400 12.933 28.6373 28.631 28.6374 19.8319 -30.5514 28.631 -30.5514 -9.11541 GPRESSAVG: 455400 11.7204 24.8919 27.4276 31.5964 21.1642 -29.9818 28.5704 -31.066 -8.72694 TIMING: 455400 CPU: 1500.24, 0.0031254/step Wall: 1500.24, 0.0031254/step, 3.94547 hours remaining, 232.925781 MB of memory in use. ENERGY: 455400 4024.9171 20612.9875 14526.0623 250.9844 -203799.1211 2590.1438 0.0000 0.0000 52147.7103 -109646.3158 299.6936 -161794.0260 -109279.3071 299.0814 -227.8020 -208.1768 762410.8701 7.8832 8.0526 PRESSURE: 455600 -308.507 -115.934 -76.0445 -115.934 131.998 -83.4067 -76.0442 -83.407 -112.491 GPRESSURE: 455600 -332.171 -92.7284 -43.0262 -66.8158 107.044 -83.8492 -50.4434 -77.0623 21.5418 PRESSAVG: 455600 -40.3792 19.8766 2.1401 19.8766 51.5476 28.4344 2.14017 28.4345 -1.12518 GPRESSAVG: 455600 -40.4651 20.3537 2.26882 19.4929 50.6597 28.8553 0.757408 30.1189 -0.430516 TIMING: 455600 CPU: 1500.87, 0.00312197/step Wall: 1500.87, 0.00312196/step, 3.94096 hours remaining, 232.925781 MB of memory in use. ENERGY: 455600 3981.6822 20534.8164 14455.6772 250.0130 -203737.6521 2658.9672 0.0000 0.0000 52143.4109 -109713.0853 299.6689 -161856.4962 -109347.3069 299.0892 -96.3333 -67.8620 760643.2598 3.3477 3.2547 PRESSURE: 455800 -118.815 129.88 100.161 129.881 -74.2452 -86.3848 100.162 -86.3846 201.502 GPRESSURE: 455800 -110.121 88.5959 30.4936 152.167 -2.82493 -177.911 211.791 -77.4271 204.451 PRESSAVG: 455800 19.2179 -4.89591 6.23289 -4.89589 2.00749 26.6742 6.23291 26.6741 -3.43849 GPRESSAVG: 455800 18.5509 -4.15245 7.16302 -4.78141 2.48644 26.0973 4.96899 26.3323 -3.17295 TIMING: 455800 CPU: 1501.5, 0.00313621/step Wall: 1501.5, 0.00313621/step, 3.95877 hours remaining, 232.925781 MB of memory in use. ENERGY: 455800 3986.6452 20578.4733 14419.2119 229.7117 -203731.3400 2695.8076 0.0000 0.0000 52018.7511 -109802.7392 298.9525 -161821.4902 -109442.6451 299.1784 2.8140 30.5015 762596.7694 5.9290 5.9548 PRESSURE: 456000 -196.76 -208.846 133.412 -208.846 166.941 -104.25 133.412 -104.25 -271.52 GPRESSURE: 456000 -21.2142 -158.898 92.951 -149.102 23.7037 -127.838 138.879 -34.231 -205.401 PRESSAVG: 456000 -29.6352 12.895 33.2783 12.895 -0.713147 -10.6541 33.2784 -10.6541 -8.40679 GPRESSAVG: 456000 -29.0851 12.6018 34.0066 13.7594 -0.566459 -9.16022 32.3201 -11.5217 -8.4036 TIMING: 456000 CPU: 1502.12, 0.00311942/step Wall: 1502.12, 0.00311942/step, 3.9374 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 456000 4004.4942 20588.7788 14411.3541 240.9808 -204083.9318 2905.2066 0.0000 0.0000 52135.2085 -109797.9087 299.6218 -161933.1172 -109439.8282 298.5010 -100.4463 -67.6373 761376.3677 -12.9184 -12.6850 PRESSURE: 456200 24.9358 -72.0337 189.06 -72.0326 130.114 -131.494 189.06 -131.495 283.694 GPRESSURE: 456200 4.39486 -49.7235 288.629 -45.5012 227.346 -167.945 65.3015 -80.3472 324.532 PRESSAVG: 456200 18.6538 -34.3283 7.55864 -34.3282 -19.0982 33.0081 7.55865 33.0081 9.07288 GPRESSAVG: 456200 18.3671 -33.2378 6.72676 -36.362 -19.6512 33.3152 8.05461 31.8069 9.9997 TIMING: 456200 CPU: 1502.75, 0.00314711/step Wall: 1502.75, 0.00314711/step, 3.97217 hours remaining, 232.925781 MB of memory in use. ENERGY: 456200 3966.6240 20592.8744 14390.4264 235.4076 -203544.6508 2469.8833 0.0000 0.0000 52089.6946 -109799.7405 299.3602 -161889.4351 -109438.1095 299.1922 146.2480 185.4242 758907.6100 2.8761 2.9052 LDB: ============= START OF LOAD BALANCING ============== 1515.17 LDB: ============== END OF LOAD BALANCING =============== 1515.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1515.17 LDB: ============= START OF LOAD BALANCING ============== 1515.48 LDB: Largest compute 7030 load 0.036266 is 18.6% of average load 0.195203 LDB: Average compute 0.004378 is 2.2% of average load 0.195203 LDB: TIME 1515.49 LOAD: AVG 0.195203 MAX 0.22092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.73 MB LDB: TIME 1515.49 LOAD: AVG 0.195203 MAX 0.22092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: TIME 1515.49 LOAD: AVG 0.195203 MAX 0.217493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: ============== END OF LOAD BALANCING =============== 1515.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1515.49 PRESSURE: 456400 -64.1672 -131.952 15.2387 -131.952 101.556 -152.499 15.2388 -152.5 -178.855 GPRESSURE: 456400 -26.1157 -169.934 113.65 -271.762 166.981 -171.559 21.362 -214.394 -187.617 PRESSAVG: 456400 12.0022 -49.319 -6.10014 -49.3191 16.9746 -31.9237 -6.10009 -31.9238 -10.6973 GPRESSAVG: 456400 11.857 -50.9748 -5.9346 -47.7198 17.852 -32.4475 -3.18988 -32.7592 -11.0939 TIMING: 456400 CPU: 1503.39, 0.00318941/step Wall: 1503.39, 0.00318941/step, 4.02539 hours remaining, 232.843750 MB of memory in use. ENERGY: 456400 3988.3870 20537.1822 14509.2953 252.0793 -203858.4672 2585.5461 0.0000 0.0000 51886.4903 -110099.4870 298.1924 -161985.9773 -109749.0099 298.8003 -47.1554 -15.5841 758512.6443 6.0931 6.2051 PRESSURE: 456600 -277.44 -77.9061 -14.3326 -77.9056 -520.429 -32.0278 -14.3317 -32.0278 -330.745 GPRESSURE: 456600 -357.086 -113.835 67.4035 -46.7063 -416.683 -10.0471 -67.3068 -28.5331 -273.022 PRESSAVG: 456600 2.8025 -36.8825 -7.41499 -36.8824 11.4287 -10.616 -7.41494 -10.6161 -9.01362 GPRESSAVG: 456600 4.58935 -35.2938 -6.96194 -39.5058 9.18603 -9.42757 -7.66048 -9.8875 -8.83813 TIMING: 456600 CPU: 1504.01, 0.0031213/step Wall: 1504.01, 0.0031213/step, 3.93925 hours remaining, 233.167969 MB of memory in use. ENERGY: 456600 4060.7489 20491.2632 14510.6371 234.0046 -203370.8879 2143.9176 0.0000 0.0000 51891.9769 -110038.3395 298.2239 -161930.3164 -109673.4544 298.2811 -376.2047 -348.9304 759186.2877 1.7392 1.6458 PRESSURE: 456800 241.486 -61.0337 196.819 -61.0329 464.899 -49.7529 196.819 -49.7527 330.865 GPRESSURE: 456800 315.946 -76.8988 189.385 -31.3677 486.714 -90.665 118.504 -149.903 325.663 PRESSAVG: 456800 -25.4627 -36.547 8.49814 -36.5471 16.3159 -20.1118 8.49812 -20.1118 20.8593 GPRESSAVG: 456800 -26.8962 -37.6047 10.8178 -34.3946 17.6471 -19.6927 7.03745 -18.9831 21.5369 TIMING: 456800 CPU: 1504.64, 0.00312998/step Wall: 1504.64, 0.00312998/step, 3.95004 hours remaining, 233.167969 MB of memory in use. ENERGY: 456800 3991.3843 20457.4525 14552.3886 250.9389 -204135.9227 2815.3134 0.0000 0.0000 51866.6432 -110201.8018 298.0783 -162068.4450 -109835.3118 298.1803 345.7502 376.1077 758723.1179 3.9042 4.0959 PRESSURE: 457000 89.785 31.5907 -87.825 31.5916 29.9288 183.339 -87.8257 183.34 102.193 GPRESSURE: 457000 94.3049 32.0559 -21.7598 99.2609 71.0216 228.613 -128.379 231.153 139.973 PRESSAVG: 457000 19.413 -5.46491 4.30489 -5.4648 4.85768 9.60093 4.30491 9.60101 -0.0930156 GPRESSAVG: 457000 20.395 -5.21806 1.33536 -4.63199 3.6586 8.61486 3.67098 10.3197 0.0796416 TIMING: 457000 CPU: 1505.27, 0.00313829/step Wall: 1505.27, 0.00313829/step, 3.96035 hours remaining, 233.179688 MB of memory in use. ENERGY: 457000 3987.8664 20535.6223 14463.5152 224.2506 -204077.4073 2799.6780 0.0000 0.0000 51934.5029 -110131.9717 298.4683 -162066.4746 -109774.8750 298.3573 73.9690 101.7666 760578.3683 8.0592 8.0444 PRESSURE: 457200 -148.952 -12.8839 216.584 -12.8839 -310.96 -57.5788 216.584 -57.5792 -472.077 GPRESSURE: 457200 -133.7 -119.083 212.281 6.5375 -238.188 -38.1432 18.3606 86.3652 -462.725 PRESSAVG: 457200 -23.0302 -16.404 -10.7258 -16.4039 22.1204 9.84535 -10.7258 9.84532 -4.20694 GPRESSAVG: 457200 -23.6986 -18.3099 -10.2701 -16.7353 24.6664 9.34994 -11.4338 8.56836 -5.49839 TIMING: 457200 CPU: 1505.89, 0.00312775/step Wall: 1505.89, 0.00312775/step, 3.94687 hours remaining, 233.179688 MB of memory in use. ENERGY: 457200 4041.1541 20432.0226 14521.9156 265.8297 -203715.1184 2416.0981 0.0000 0.0000 52076.6534 -109961.4448 299.2852 -162038.0983 -109595.9937 298.0864 -310.6627 -278.2044 763465.5847 -1.7056 -1.5102 PRESSURE: 457400 -181.035 282.449 105.267 282.448 -225.156 58.9087 105.268 58.9097 -137.816 GPRESSURE: 457400 -234.384 350.848 66.1172 269.512 -92.5332 31.4364 134.152 28.1571 -141.254 PRESSAVG: 457400 6.73634 3.74913 41.8869 3.74914 21.3735 40.1938 41.8869 40.1937 14.0688 GPRESSAVG: 457400 6.90437 6.25499 41.3569 1.55564 20.0393 40.4465 43.1791 41.289 14.8012 TIMING: 457400 CPU: 1506.52, 0.00314685/step Wall: 1506.52, 0.00314685/step, 3.9708 hours remaining, 233.179688 MB of memory in use. ENERGY: 457400 4000.1857 20479.5343 14420.6415 259.6419 -203714.7138 2424.6172 0.0000 0.0000 52095.5519 -110034.5416 299.3939 -162130.0934 -109656.7950 298.5097 -181.3357 -156.0569 761784.0027 14.0595 13.9149 PRESSURE: 457600 108.823 -187.263 -57.617 -187.263 -32.3869 104.714 -57.6172 104.714 -42.2324 GPRESSURE: 457600 143.517 -123.473 11.2261 -228.969 -7.74855 76.0441 13.7915 117.107 -19.9087 PRESSAVG: 457600 38.0397 -38.7004 17.4611 -38.7004 -46.1007 10.4665 17.4611 10.4665 -16.7806 GPRESSAVG: 457600 39.0912 -39.378 18.3458 -37.1391 -47.0189 11.0989 17.7463 8.4967 -16.8295 TIMING: 457600 CPU: 1507.14, 0.00311574/step Wall: 1507.14, 0.00311574/step, 3.93137 hours remaining, 233.382812 MB of memory in use. ENERGY: 457600 4028.3770 20398.6413 14466.1163 251.8205 -204074.9799 2861.0379 0.0000 0.0000 52216.5225 -109852.4645 300.0891 -162068.9869 -109489.3878 299.0358 11.4013 38.6199 760039.1131 -8.2805 -8.2524 PRESSURE: 457800 -108.664 -85.5735 11.7407 -85.5737 -203.375 -24.8081 11.7412 -24.808 -416.712 GPRESSURE: 457800 -75.5635 4.25071 33.7888 -20.4939 -227.608 -1.12406 45.4369 5.16727 -335.764 PRESSAVG: 457800 66.036 -25.8875 -40.6597 -25.8875 -26.3004 -22.9267 -40.6598 -22.9267 2.7469 GPRESSAVG: 457800 65.0018 -24.5957 -39.801 -24.2366 -25.4367 -23.0835 -42.6574 -20.9193 2.97405 TIMING: 457800 CPU: 1507.77, 0.00311614/step Wall: 1507.77, 0.00311614/step, 3.93171 hours remaining, 233.382812 MB of memory in use. ENERGY: 457800 3952.1233 20624.5490 14375.1413 238.7854 -203213.0634 2277.5174 0.0000 0.0000 52127.3545 -109617.5925 299.5766 -161744.9470 -109251.6239 299.3376 -242.9170 -212.9783 761111.7904 14.1608 14.1797 PRESSURE: 458000 -72.6504 250.483 -214.491 250.483 -228.067 344.479 -214.492 344.479 -438.643 GPRESSURE: 458000 -74.7953 155.484 -169.581 196.612 -191.934 317.259 -99.3674 237.625 -393.094 PRESSAVG: 458000 56.7014 -17.2396 -61.394 -17.2396 -68.355 -5.13098 -61.394 -5.13098 -12.2743 GPRESSAVG: 458000 56.5459 -17.9366 -61.6376 -19.2962 -68.4148 -8.03813 -58.2361 -5.00374 -12.9658 TIMING: 458000 CPU: 1508.39, 0.00311848/step Wall: 1508.39, 0.00311848/step, 3.93449 hours remaining, 233.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 458000 4146.6363 20477.2960 14459.4466 234.9413 -203927.3938 2784.2876 0.0000 0.0000 52128.0063 -109696.7796 299.5804 -161824.7860 -109338.5801 299.1797 -246.4534 -219.9408 760845.4978 -7.9760 -8.2782 PRESSURE: 458200 323.246 -103.29 3.51302 -103.29 228.624 -161.897 3.51294 -161.898 61.2892 GPRESSURE: 458200 309.344 -72.2961 32.3736 -117.615 210.71 -190.219 -28.3542 -107.941 165.562 PRESSAVG: 458200 -12.121 -30.7931 24.2506 -30.7931 20.5082 -42.5957 24.2506 -42.5957 -0.0490927 GPRESSAVG: 458200 -11.8414 -31.8743 23.9983 -27.6884 19.2569 -41.692 22.3751 -42.6409 0.876248 TIMING: 458200 CPU: 1509.02, 0.00312653/step Wall: 1509.02, 0.00312653/step, 3.94446 hours remaining, 233.382812 MB of memory in use. ENERGY: 458200 4001.8404 20431.5264 14439.9697 221.9622 -203800.5853 2871.2411 0.0000 0.0000 51935.3640 -109898.6815 298.4733 -161834.0456 -109530.6830 298.7966 204.3863 228.5386 760074.8863 2.7794 2.7639 PRESSURE: 458400 3.28268 120.124 -84.4385 120.124 -249.759 -107.58 -84.4383 -107.579 -174.501 GPRESSURE: 458400 -18.3338 103.771 -127.633 12.263 -228.031 -185.788 -112.088 -52.586 -109.89 PRESSAVG: 458400 -32.5706 -15.2667 -7.76546 -15.2667 9.39163 -22.5441 -7.7654 -22.5441 -7.42373 GPRESSAVG: 458400 -33.5091 -15.541 -9.1463 -17.6008 10.3385 -22.5145 -6.41962 -21.9861 -7.04993 TIMING: 458400 CPU: 1509.64, 0.00312718/step Wall: 1509.64, 0.00312718/step, 3.94511 hours remaining, 233.382812 MB of memory in use. ENERGY: 458400 4056.5086 20512.8700 14550.4906 231.1680 -203467.2463 2646.8760 0.0000 0.0000 51749.0364 -109720.2966 297.4024 -161469.3330 -109361.0925 298.7529 -140.3257 -118.7514 761958.4568 -10.2009 -10.0735 PRESSURE: 458600 57.609 -184.322 38.1899 -184.321 39.4149 73.1368 38.19 73.1365 -117.943 GPRESSURE: 458600 116.213 -5.12225 -65.7195 -80.8662 116.597 109.902 166.892 161.316 -175.249 PRESSAVG: 458600 -80.1601 -8.74005 -26.6646 -8.74006 53.3953 -1.66552 -26.6646 -1.66551 -17.2092 GPRESSAVG: 458600 -79.9568 -8.51999 -26.3431 -10.3971 53.3281 0.715608 -25.3929 -2.05368 -17.7911 TIMING: 458600 CPU: 1510.27, 0.00312006/step Wall: 1510.27, 0.00312006/step, 3.93595 hours remaining, 233.382812 MB of memory in use. ENERGY: 458600 4017.5347 20318.9104 14510.8856 248.8842 -203923.3250 2805.6854 0.0000 0.0000 52134.5995 -109886.8252 299.6183 -162021.4247 -109518.0083 298.8323 -6.9729 19.1869 761935.6070 -14.6580 -14.8066 PRESSURE: 458800 -32.242 95.5733 -97.477 95.5727 -169.948 178.853 -97.4769 178.853 41.4526 GPRESSURE: 458800 -34.354 35.6186 -21.7957 209.704 -132.975 187.117 -177.937 191.545 94.2177 PRESSAVG: 458800 -39.6781 -28.3432 0.942288 -28.3432 27.5743 47.9376 0.942251 47.9376 -9.88103 GPRESSAVG: 458800 -40.4759 -28.5349 0.421359 -26.6479 27.8838 47.0884 0.450297 49.0495 -8.93604 TIMING: 458800 CPU: 1510.89, 0.0031277/step Wall: 1510.89, 0.0031277/step, 3.94542 hours remaining, 233.382812 MB of memory in use. ENERGY: 458800 4008.4236 20405.7811 14414.4512 252.9802 -203639.7381 2666.8671 0.0000 0.0000 52017.1217 -109874.1131 298.9431 -161891.2349 -109499.8417 298.1843 -53.5792 -24.3705 760842.8638 -7.3283 -7.1761 PRESSURE: 459000 171.824 -161.827 140.521 -161.827 164.21 -20.088 140.52 -20.0883 436.823 GPRESSURE: 459000 149.609 -49.8998 164.597 -252.612 173.202 1.10859 98.5104 67.7258 523.984 PRESSAVG: 459000 44.765 -4.48045 1.65451 -4.48041 30.5009 28.7965 1.65445 28.7965 -15.5282 GPRESSAVG: 459000 45.2307 -2.80954 4.69286 -6.33365 31.078 28.3144 1.59975 27.6007 -16.3002 TIMING: 459000 CPU: 1511.51, 0.00311652/step Wall: 1511.51, 0.00311652/step, 3.93114 hours remaining, 233.382812 MB of memory in use. ENERGY: 459000 4030.9684 20453.1015 14445.2545 252.7387 -204040.5803 2866.8356 0.0000 0.0000 51978.8825 -110012.7990 298.7234 -161991.6816 -109648.3601 298.2650 257.6189 282.2652 761436.4303 19.9126 20.0029 PRESSURE: 459200 225.946 47.5451 -55.2437 47.5459 -179.061 78.1337 -55.2438 78.1326 -169.13 GPRESSURE: 459200 142.791 74.531 -22.0216 94.5571 -98.5735 54.7524 -108.578 51.1499 -84.7782 PRESSAVG: 459200 -39.6833 -31.358 -32.9085 -31.358 8.45394 -0.672125 -32.9086 -0.672198 8.60497 GPRESSAVG: 459200 -38.665 -31.2011 -36.0418 -30.3778 6.59775 -0.464653 -31.9103 -1.23142 9.92831 TIMING: 459200 CPU: 1512.14, 0.00312066/step Wall: 1512.14, 0.00312066/step, 3.9362 hours remaining, 233.382812 MB of memory in use. ENERGY: 459200 4039.5387 20668.1982 14373.4193 242.1929 -204013.4971 3006.2455 0.0000 0.0000 52092.2175 -109591.6850 299.3747 -161683.9025 -109232.5299 298.7067 -40.7482 -13.5203 761639.9626 -7.5415 -7.3796 PRESSURE: 459400 -40.3276 39.558 -70.2591 39.5582 -27.2524 41.1574 -70.2595 41.157 -466.707 GPRESSURE: 459400 -39.1242 30.7338 -137.282 24.5865 160.284 14.7058 -36.5219 47.5724 -555.211 PRESSAVG: 459400 -35.3817 1.12524 31.1078 1.12526 -0.1376 -29.5819 31.1078 -29.5819 12.7775 GPRESSAVG: 459400 -36.7218 0.798966 31.7006 1.179 1.58761 -29.176 31.202 -27.5776 11.8426 TIMING: 459400 CPU: 1512.76, 0.00311712/step Wall: 1512.76, 0.00311712/step, 3.93156 hours remaining, 233.382812 MB of memory in use. ENERGY: 459400 4053.6278 20316.5230 14533.8036 239.7973 -203456.1104 2626.7847 0.0000 0.0000 52209.4381 -109476.1358 300.0484 -161685.5739 -109107.2049 299.4757 -178.0955 -144.6836 761911.7447 -7.5806 -7.7639 PRESSURE: 459600 -391.781 -106.239 -6.01814 -106.24 -118.987 9.2894 -6.01829 9.28925 41.7493 GPRESSURE: 459600 -388.377 -76.802 21.663 -83.5712 9.35426 67.1 45.2428 -42.2869 -3.71611 PRESSAVG: 459600 -14.8441 5.09961 -5.95315 5.0996 21.8789 -34.6111 -5.9532 -34.6111 16.2718 GPRESSAVG: 459600 -13.7344 4.91658 -4.91374 5.06877 22.6186 -34.4065 -5.09848 -36.3166 14.9688 TIMING: 459600 CPU: 1513.39, 0.00311943/step Wall: 1513.39, 0.00311943/step, 3.93429 hours remaining, 233.382812 MB of memory in use. ENERGY: 459600 3985.0033 20521.4339 14480.5194 246.8896 -203502.9062 2697.9311 0.0000 0.0000 52171.8547 -109399.2742 299.8324 -161571.1289 -109044.2001 299.0600 -156.3397 -127.5796 760238.8347 7.7689 7.9510 PRESSURE: 459800 21.3024 20.1219 38.8163 20.1226 -239.362 -118.011 38.8166 -118.011 -139.61 GPRESSURE: 459800 43.9643 -20.3244 7.68004 54.2255 -199.105 -56.6002 -47.5478 -172.069 -121.356 PRESSAVG: 459800 54.8807 -28.7209 -0.923028 -28.7209 -13.0241 14.7894 -0.92303 14.7893 -13.0415 GPRESSAVG: 459800 56.1523 -27.9974 -2.69074 -28.926 -14.7171 14.6807 -2.41586 15.2344 -12.1772 TIMING: 459800 CPU: 1514.01, 0.00312884/step Wall: 1514.01, 0.00312884/step, 3.94599 hours remaining, 233.382812 MB of memory in use. ENERGY: 459800 4048.4810 20548.4607 14462.0708 239.5766 -203338.3177 2383.1990 0.0000 0.0000 52060.1146 -109596.4150 299.1902 -161656.5296 -109231.9995 299.3002 -119.2232 -92.1657 760700.8985 9.6051 9.7527 PRESSURE: 460000 138.668 209.227 79.1384 209.228 -31.9469 -67.6097 79.1399 -67.6098 113.184 GPRESSURE: 460000 193.829 212.406 73.7025 124.285 28.1894 -62.6528 11.5609 11.6133 61.0165 PRESSAVG: 460000 34.8311 22.9052 3.65491 22.9053 -8.12536 27.4883 3.65489 27.4883 -2.92371 GPRESSAVG: 460000 33.7576 22.569 4.75762 23.5984 -6.87883 26.3643 3.21802 27.4718 -3.30296 TIMING: 460000 CPU: 1514.63, 0.00309803/step Wall: 1514.63, 0.00309803/step, 3.90696 hours remaining, 233.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 460000 3974.8786 20582.2862 14464.5016 234.0843 -203515.3234 2686.7830 0.0000 0.0000 51873.6088 -109699.1810 298.1183 -161572.7898 -109347.5548 299.2263 73.3018 94.3449 761374.9080 7.9273 7.8586 PRESSURE: 460200 -325.264 -1.35696 -102.838 -1.35709 -75.3462 -142.382 -102.837 -142.382 -270.35 GPRESSURE: 460200 -275.038 104.669 -74.0507 35.2786 -75.7214 -39.7742 8.95764 -102.888 -212.522 PRESSAVG: 460200 -3.3652 50.8762 -17.0088 50.8761 -16.171 4.41686 -17.0089 4.41689 -0.456748 GPRESSAVG: 460200 -2.81556 51.0692 -16.5103 51.471 -17.916 6.00281 -16.6096 5.32776 1.47949 TIMING: 460200 CPU: 1515.25, 0.00310527/step Wall: 1515.25, 0.00310527/step, 3.91592 hours remaining, 233.382812 MB of memory in use. ENERGY: 460200 3972.2442 20489.1733 14464.8589 251.4081 -203888.2260 2701.4533 0.0000 0.0000 52054.1819 -109954.9063 299.1561 -162009.0882 -109594.6826 298.3955 -223.6535 -187.7604 761372.7962 -6.6643 -6.4174 LDB: ============= START OF LOAD BALANCING ============== 1527.67 LDB: ============== END OF LOAD BALANCING =============== 1527.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1527.67 LDB: ============= START OF LOAD BALANCING ============== 1527.98 LDB: Largest compute 7049 load 0.036271 is 18.6% of average load 0.195246 LDB: Average compute 0.004391 is 2.2% of average load 0.195246 LDB: TIME 1527.99 LOAD: AVG 0.195246 MAX 0.216495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.531 MB LDB: TIME 1527.99 LOAD: AVG 0.195246 MAX 0.216495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.535 MB LDB: TIME 1527.99 LOAD: AVG 0.195246 MAX 0.216495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.535 MB LDB: ============== END OF LOAD BALANCING =============== 1527.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1527.99 PRESSURE: 460400 169.617 59.9263 -84.0253 59.9262 121.123 3.22988 -84.0245 3.22934 -21.7343 GPRESSURE: 460400 167.698 37.5065 -142.483 25.6973 140.108 -42.1252 -78.193 66.0441 40.6105 PRESSAVG: 460400 -19.3275 24.4659 -17.1292 24.4659 51.3502 -17.9714 -17.1292 -17.9714 -8.50123 GPRESSAVG: 460400 -21.1781 26.5449 -16.6502 22.3847 52.6361 -17.0752 -18.4005 -18.5514 -8.77591 TIMING: 460400 CPU: 1515.89, 0.00318186/step Wall: 1515.89, 0.00318186/step, 4.01232 hours remaining, 232.023438 MB of memory in use. ENERGY: 460400 3991.1879 20406.3830 14508.6221 246.9490 -203529.3978 2516.1123 0.0000 0.0000 51990.2392 -109869.9042 298.7886 -161860.1434 -109507.0101 298.6898 89.6684 116.1387 761097.1296 7.8405 7.5607 PRESSURE: 460600 -294.215 -39.0573 18.912 -39.0576 -231.357 148.111 18.9124 148.111 -75.1913 GPRESSURE: 460600 -267.279 -77.8083 -30.9036 -129.175 -195.14 157.931 3.28459 122.143 -72.7811 PRESSAVG: 460600 -60.2986 -62.1047 -7.72469 -62.1047 73.1661 -33.9491 -7.72466 -33.9491 -0.630601 GPRESSAVG: 460600 -59.1431 -63.4862 -8.48498 -59.1467 73.5029 -33.5784 -9.54805 -34.4651 -1.47589 TIMING: 460600 CPU: 1516.51, 0.00313237/step Wall: 1516.51, 0.00313237/step, 3.94974 hours remaining, 232.023438 MB of memory in use. ENERGY: 460600 3987.7121 20500.8212 14507.9120 256.9081 -203625.0506 2616.5580 0.0000 0.0000 51871.3012 -109883.8381 298.1051 -161755.1393 -109508.5123 298.7292 -200.2544 -178.4000 762130.0864 4.0790 4.2946 PRESSURE: 460800 172.116 82.8941 -59.5012 82.8926 -32.7542 1.83525 -59.5008 1.83464 32.7102 GPRESSURE: 460800 185.438 186.43 -26.6021 5.46362 -4.40537 16.1116 -90.6121 -70.7706 80.2662 PRESSAVG: 460800 -31.1053 -14.9673 4.39695 -14.9673 26.5514 9.93421 4.3969 9.93431 3.39128 GPRESSAVG: 460800 -31.0306 -14.9939 3.60404 -16.3429 27.6651 8.01804 7.64275 10.6108 2.96564 TIMING: 460800 CPU: 1517.14, 0.00312869/step Wall: 1517.14, 0.00312869/step, 3.94493 hours remaining, 232.023438 MB of memory in use. ENERGY: 460800 4018.7932 20481.0993 14445.6941 239.7748 -203561.9817 2833.9819 0.0000 0.0000 51916.4523 -109626.1861 298.3646 -161542.6384 -109263.1426 298.8310 57.3575 87.0995 763165.3691 -0.3876 -0.1333 PRESSURE: 461000 -36.5456 -177.033 -153.036 -177.033 103.883 -122.982 -153.037 -122.983 43.8113 GPRESSURE: 461000 -1.19833 -274.07 -48.1079 -20.9204 152.66 -65.8607 -176.36 -67.6859 24.3948 PRESSAVG: 461000 19.4297 -12.8397 34.5906 -12.8397 16.7079 14.3645 34.5905 14.3646 19.0211 GPRESSAVG: 461000 19.0468 -11.9447 35.0621 -12.9807 15.2777 14.5748 33.8172 14.3652 20.3482 TIMING: 461000 CPU: 1517.77, 0.0031323/step Wall: 1517.77, 0.0031323/step, 3.9493 hours remaining, 232.023438 MB of memory in use. ENERGY: 461000 3944.5347 20679.1934 14474.6265 259.5958 -203488.8429 2565.4305 0.0000 0.0000 51817.4411 -109748.0209 297.7955 -161565.4620 -109397.6533 298.8112 37.0497 58.6188 761832.9118 18.3862 18.2242 PRESSURE: 461200 -182.931 -122.788 -5.76813 -122.787 -356.167 150.169 -5.76734 150.169 -204.97 GPRESSURE: 461200 -134.335 -146.702 41.987 -172.272 -333.687 99.7466 1.51327 152.552 -168.657 PRESSAVG: 461200 12.4332 -5.11579 -34.9819 -5.11578 -27.0471 -14.7708 -34.982 -14.7708 9.65974 GPRESSAVG: 461200 13.6165 -5.23548 -34.5719 -5.16019 -26.4025 -16.5491 -35.5536 -14.2634 7.64153 TIMING: 461200 CPU: 1518.39, 0.00310663/step Wall: 1518.39, 0.00310663/step, 3.91678 hours remaining, 232.023438 MB of memory in use. ENERGY: 461200 3953.8123 20557.9852 14424.3101 244.4898 -203313.4752 2311.6839 0.0000 0.0000 51902.4647 -109918.7292 298.2842 -161821.1940 -109570.8358 298.6914 -248.0227 -212.2265 761912.6818 -1.6514 -1.7148 PRESSURE: 461400 -0.559614 297.587 21.5935 297.587 -31.7551 -179.091 21.5943 -179.09 85.571 GPRESSURE: 461400 120.357 283.035 28.2508 129.949 -73.1164 -186.767 62.6308 -106.139 94.0857 PRESSAVG: 461400 26.2043 19.8869 -21.8263 19.8869 -55.2953 -46.3395 -21.8263 -46.3395 16.7296 GPRESSAVG: 461400 25.8683 18.7076 -21.8976 20.2065 -55.1473 -46.0447 -21.6276 -46.0846 17.0205 TIMING: 461400 CPU: 1519.01, 0.00311316/step Wall: 1519.01, 0.00311316/step, 3.92483 hours remaining, 232.023438 MB of memory in use. ENERGY: 461400 3974.9919 20314.4144 14529.5588 249.9677 -203406.4819 2465.1821 0.0000 0.0000 51962.0395 -109910.3275 298.6266 -161872.3670 -109543.5478 298.2620 17.7521 47.1088 762147.7102 -4.1205 -4.0862 PRESSURE: 461600 26.7183 169.955 162.661 169.956 27.6556 -21.4077 162.662 -21.4074 -107.754 GPRESSURE: 461600 14.818 88.5105 59.7688 96.827 145.876 -12.1786 71.295 13.9112 -135.796 PRESSAVG: 461600 14.8585 14.3556 8.21198 14.3556 -51.8381 -26.6781 8.21202 -26.678 12.2723 GPRESSAVG: 461600 14.1323 13.8479 7.68206 13.8312 -51.1881 -24.1406 8.58174 -27.2471 12.482 TIMING: 461600 CPU: 1519.64, 0.00312437/step Wall: 1519.64, 0.00312437/step, 3.93879 hours remaining, 232.023438 MB of memory in use. ENERGY: 461600 3947.9428 20361.0891 14462.1655 261.1936 -203528.8781 2691.9147 0.0000 0.0000 51929.7588 -109874.8135 298.4410 -161804.5724 -109523.3717 298.2772 -17.7932 8.2995 761727.4543 -8.2357 -8.1913 PRESSURE: 461800 194.21 -22.7953 118.636 -22.7959 265.185 56.6456 118.636 56.6454 -44.0827 GPRESSURE: 461800 179.165 -180.662 252.329 14.027 266.386 31.1646 45.4046 -86.6209 33.9663 PRESSAVG: 461800 35.3479 -24.4741 -23.9851 -24.4741 -43.0576 -4.31998 -23.9851 -4.32004 -1.04598 GPRESSAVG: 461800 35.3434 -22.0698 -23.1688 -24.9224 -44.3279 -5.24774 -24.952 -4.55602 -0.0304068 TIMING: 461800 CPU: 1520.26, 0.00313018/step Wall: 1520.26, 0.00313018/step, 3.94594 hours remaining, 232.023438 MB of memory in use. ENERGY: 461800 3976.7588 20552.7248 14527.5322 249.8353 -203749.1791 2820.3985 0.0000 0.0000 51786.5125 -109835.4170 297.6178 -161621.9295 -109476.1201 298.4496 138.4375 159.8391 759886.4209 -2.9186 -3.0049 PRESSURE: 462000 -262.962 93.9485 -52.1677 93.9488 109.979 92.2674 -52.1673 92.2683 348.923 GPRESSURE: 462000 -171.903 134.903 56.4057 88.6318 59.3084 117.578 35.8023 181.005 374.404 PRESSAVG: 462000 82.6393 -20.953 14.9363 -20.953 -63.0412 -2.70967 14.9363 -2.70967 -16.1578 GPRESSAVG: 462000 82.466 -21.9951 15.089 -20.5194 -62.9275 -3.90385 15.7365 -3.21296 -16.4046 TIMING: 462000 CPU: 1520.89, 0.00312407/step Wall: 1520.89, 0.00312407/step, 3.93806 hours remaining, 232.023438 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: 462000 3940.9580 20498.6221 14524.2148 245.6689 -203451.6248 2523.9578 0.0000 0.0000 51910.8114 -109807.3918 298.3321 -161718.2032 -109448.0697 298.9512 65.3131 87.2699 760160.0264 1.1468 1.0447 PRESSURE: 462200 -108.771 -28.4378 -323.419 -28.4382 -69.3465 -4.65495 -323.419 -4.65442 32.9482 GPRESSURE: 462200 23.2166 -164.62 -298.339 -97.2298 -53.9248 -27.6155 -330.938 26.3045 -21.1476 PRESSAVG: 462200 37.7047 -55.0542 -24.5019 -55.0541 -10.1039 -14.1472 -24.502 -14.1472 8.99931 GPRESSAVG: 462200 38.2514 -54.7876 -24.9944 -55.7634 -9.35156 -13.0426 -22.5972 -12.8385 8.09753 TIMING: 462200 CPU: 1521.51, 0.00312114/step Wall: 1521.51, 0.00312114/step, 3.9342 hours remaining, 232.023438 MB of memory in use. ENERGY: 462200 3947.7464 20470.8390 14538.1552 258.0253 -203203.2889 2426.3319 0.0000 0.0000 51913.7831 -109648.4079 298.3492 -161562.1910 -109285.9873 298.8645 -48.3896 -17.2852 761721.6843 12.2001 12.3325 PRESSURE: 462400 -117.2 39.2076 121.811 39.2071 -246.546 5.89017 121.812 5.89003 157.812 GPRESSURE: 462400 -10.3474 140.394 81.9534 -11.9293 -258.48 -6.55792 141.502 23.9069 161.745 PRESSAVG: 462400 -6.65578 2.78035 -26.5338 2.78036 -10.7465 27.7057 -26.5338 27.7056 -9.15792 GPRESSAVG: 462400 -5.70038 3.47317 -27.816 3.18981 -11.7507 25.7066 -30.0377 26.9297 -8.84521 TIMING: 462400 CPU: 1522.13, 0.00311924/step Wall: 1522.13, 0.00311924/step, 3.93163 hours remaining, 232.023438 MB of memory in use. ENERGY: 462400 3918.8083 20360.8086 14523.8373 246.5568 -203211.7845 2466.1623 0.0000 0.0000 52067.8449 -109627.7664 299.2346 -161695.6113 -109258.6524 299.0597 -68.6448 -35.6941 762445.5875 -8.8534 -8.7654 PRESSURE: 462600 -110.813 -178.676 -4.23798 -178.676 -302.55 88.2949 -4.23837 88.2954 -87.3903 GPRESSURE: 462600 -40.8622 -143.267 106.558 -139.1 -244.484 89.5843 -25.1561 -103.083 -117.815 PRESSAVG: 462600 -4.86384 -39.702 31.9513 -39.7019 -20.3003 0.358304 31.9512 0.358324 -7.04143 GPRESSAVG: 462600 -5.66336 -40.9685 33.9983 -39.1346 -20.4122 0.724559 32.516 0.369042 -6.53759 TIMING: 462600 CPU: 1522.76, 0.00311878/step Wall: 1522.76, 0.00311878/step, 3.93087 hours remaining, 232.023438 MB of memory in use. ENERGY: 462600 3959.4125 20358.0388 14537.8972 233.8421 -203488.6556 2673.4099 0.0000 0.0000 52055.8135 -109670.2415 299.1655 -161726.0550 -109305.9892 298.4788 -166.9178 -134.3869 761851.4051 -10.7352 -10.8710 PRESSURE: 462800 -148.326 -35.2016 -57.9956 -35.2029 223.594 74.3202 -57.9958 74.3207 -50.0841 GPRESSURE: 462800 -100.703 -79.1629 -92.6585 -180.16 234.279 49.7368 27.6134 41.6353 -36.8437 PRESSAVG: 462800 6.48015 -18.3896 66.359 -18.3896 -5.55638 -5.95567 66.359 -5.95567 -6.60905 GPRESSAVG: 462800 6.28626 -18.8071 66.0037 -19.1706 -5.85988 -5.47069 66.5463 -4.56236 -6.57648 TIMING: 462800 CPU: 1523.38, 0.00311103/step Wall: 1523.38, 0.00311103/step, 3.92093 hours remaining, 232.023438 MB of memory in use. ENERGY: 462800 4021.1722 20493.4260 14679.3085 233.3509 -203474.8938 2730.4411 0.0000 0.0000 51839.6363 -109477.5589 297.9231 -161317.1952 -109118.2389 298.8944 8.3948 32.2442 763674.7101 -1.8951 -2.0500 PRESSURE: 463000 -212.162 148.958 23.2675 148.958 -157.92 -99.5308 23.2679 -99.5312 -207.528 GPRESSURE: 463000 -155.915 138.14 -55.6937 211.093 -100.16 -126.638 120.167 -91.554 -244.665 PRESSAVG: 463000 -41.048 -11.366 67.3062 -11.366 20.3952 -16.5323 67.3063 -16.5324 9.38528 GPRESSAVG: 463000 -41.0178 -14.23 67.0718 -10.3194 21.0475 -14.4612 66.557 -19.661 8.75384 TIMING: 463000 CPU: 1524.01, 0.00313952/step Wall: 1524.01, 0.00313952/step, 3.95667 hours remaining, 232.023438 MB of memory in use. ENERGY: 463000 4004.0269 20467.6114 14584.7892 259.9093 -203559.9539 2472.2374 0.0000 0.0000 52280.4754 -109490.9043 300.4566 -161771.3797 -109128.4374 299.4202 -192.5366 -166.9134 761528.3065 -3.7558 -3.7388 PRESSURE: 463200 251.748 23.893 41.4961 23.8928 9.00027 -75.4339 41.4958 -75.4338 227.098 GPRESSURE: 463200 405.525 37.4107 -3.52697 87.6055 72.3557 -129.634 97.892 -204.019 86.8067 PRESSAVG: 463200 80.2626 -0.187237 3.65238 -0.187209 -44.0694 40.5916 3.65238 40.5916 -8.83873 GPRESSAVG: 463200 80.2839 2.49758 3.52 1.52508 -45.1274 38.937 2.50416 40.7815 -7.92432 TIMING: 463200 CPU: 1524.63, 0.00312338/step Wall: 1524.63, 0.00312338/step, 3.93616 hours remaining, 232.023438 MB of memory in use. ENERGY: 463200 3956.0996 20515.0461 14526.8525 244.4378 -203496.6154 2532.6890 0.0000 0.0000 52123.6354 -109597.8550 299.5552 -161721.4904 -109247.1641 299.0429 162.6156 188.2291 760516.6726 9.1181 9.0774 PRESSURE: 463400 -86.6561 239.98 -181.104 239.979 -36.4125 29.9228 -181.104 29.9238 112.816 GPRESSURE: 463400 -55.7942 138.974 -260.547 188.215 -14.2894 11.1858 -191.368 98.1979 148.311 PRESSAVG: 463400 51.5124 -8.10697 -19.8168 -8.10696 -62.3356 20.7105 -19.8168 20.7105 17.2259 GPRESSAVG: 463400 51.7743 -8.93728 -20.7402 -10.4204 -60.6373 20.3174 -18.5308 20.9234 15.3998 TIMING: 463400 CPU: 1525.26, 0.00312978/step Wall: 1525.26, 0.00312978/step, 3.94405 hours remaining, 232.023438 MB of memory in use. ENERGY: 463400 3920.4071 20488.7077 14474.7640 247.2454 -203097.0600 2283.8658 0.0000 0.0000 51891.4030 -109790.6671 298.2206 -161682.0701 -109427.6837 298.5544 -3.4176 26.0757 763337.3604 2.1342 2.1789 PRESSURE: 463600 -410.836 162.88 -185.516 162.88 -276.711 107.832 -185.516 107.832 4.44109 GPRESSURE: 463600 -324.729 143.944 -146.612 193.158 -304.975 93.3756 -134.759 169.116 31.0402 PRESSAVG: 463600 -3.96643 -1.3981 5.3104 -1.39816 44.8107 28.425 5.31038 28.425 -3.6726 GPRESSAVG: 463600 -3.92571 0.576885 6.47253 -1.59872 43.5954 27.7874 4.44863 29.2123 -2.60623 TIMING: 463600 CPU: 1525.88, 0.00310841/step Wall: 1525.88, 0.00310841/step, 3.91694 hours remaining, 232.023438 MB of memory in use. ENERGY: 463600 4010.3430 20456.5826 14463.5227 247.2570 -203890.1335 2949.2383 0.0000 0.0000 52187.3995 -109575.7903 299.9217 -161763.1898 -109215.6566 298.6070 -227.7018 -199.5546 761435.8365 12.3906 12.3545 PRESSURE: 463800 -85.1869 -246.296 -2.64592 -246.296 -297.274 -190.704 -2.64606 -190.704 -134.746 GPRESSURE: 463800 -36.7015 -215.363 33.5074 -172.901 -312.765 -142.067 72.4809 -255.106 -80.3716 PRESSAVG: 463800 57.7534 17.0458 6.66126 17.0457 -37.2479 1.61824 6.66117 1.61823 0.971572 GPRESSAVG: 463800 56.6567 15.734 7.06811 16.1749 -35.8679 1.5524 8.70413 1.06786 0.985108 TIMING: 463800 CPU: 1526.5, 0.00311697/step Wall: 1526.5, 0.00311697/step, 3.92756 hours remaining, 232.023438 MB of memory in use. ENERGY: 463800 3976.9210 20551.4788 14491.7872 253.8503 -203148.9959 2349.5524 0.0000 0.0000 51771.5539 -109753.8523 297.5318 -161525.4062 -109390.9286 299.1883 -172.4023 -143.2792 761316.7730 7.1590 7.2580 PRESSURE: 464000 -125.831 -309.993 63.7511 -309.994 -267.524 25.2715 63.7511 25.2717 158.04 GPRESSURE: 464000 -38.8019 -323.81 122.254 -198.772 -230.617 18.1544 20.1076 33.8308 132.057 PRESSAVG: 464000 4.45918 -20.3623 63.0819 -20.3623 -32.6969 -47.2546 63.0819 -47.2547 -2.60839 GPRESSAVG: 464000 4.40336 -20.6691 63.2271 -19.0471 -32.812 -46.4821 62.2015 -46.7945 -2.11315 TIMING: 464000 CPU: 1527.13, 0.0031316/step Wall: 1527.13, 0.0031316/step, 3.94582 hours remaining, 232.023438 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: 464000 4004.5622 20329.1379 14494.4103 252.3093 -203258.6468 2584.5619 0.0000 0.0000 51916.1590 -109677.5062 298.3629 -161593.6652 -109333.2935 298.3171 -78.4382 -45.7871 761822.1640 -10.2821 -10.1739 PRESSURE: 464200 -225.69 92.6365 -31.4201 92.6373 -283.09 -88.5143 -31.4205 -88.515 -32.3886 GPRESSURE: 464200 -216.214 42.6161 -67.3406 -26.5553 -258.954 -78.6055 -8.91286 179.918 31.6344 PRESSAVG: 464200 15.5041 -16.2211 19.9557 -16.2211 -8.87559 -43.4123 19.9557 -43.4123 24.5934 GPRESSAVG: 464200 15.5577 -15.9335 19.5804 -15.7423 -9.60449 -42.999 20.464 -41.8761 25.2815 TIMING: 464200 CPU: 1527.76, 0.00312269/step Wall: 1527.76, 0.00312269/step, 3.93442 hours remaining, 232.023438 MB of memory in use. ENERGY: 464200 3978.6676 20516.3894 14542.9558 231.1746 -203705.3990 2672.5154 0.0000 0.0000 52210.8553 -109552.8408 300.0565 -161763.6961 -109201.2490 298.6892 -180.3894 -147.8446 762504.4112 10.4073 10.4116 LDB: ============= START OF LOAD BALANCING ============== 1540.18 LDB: ============== END OF LOAD BALANCING =============== 1540.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1540.18 LDB: ============= START OF LOAD BALANCING ============== 1540.49 LDB: Largest compute 7077 load 0.034176 is 17.5% of average load 0.195140 LDB: Average compute 0.004384 is 2.2% of average load 0.195140 LDB: TIME 1540.5 LOAD: AVG 0.19514 MAX 0.218837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.637 MB LDB: TIME 1540.5 LOAD: AVG 0.19514 MAX 0.218837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: TIME 1540.5 LOAD: AVG 0.19514 MAX 0.215999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: ============== END OF LOAD BALANCING =============== 1540.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1540.5 PRESSURE: 464400 31.1622 -174.098 -56.3357 -174.098 134.358 -161.632 -56.335 -161.633 69.422 GPRESSURE: 464400 7.25237 -102.939 30.688 -86.7433 251.44 -95.2558 -131.62 -191.38 66.2972 PRESSAVG: 464400 46.0272 -37.7368 -15.558 -37.7368 -61.6599 12.8348 -15.5581 12.8348 13.2315 GPRESSAVG: 464400 46.9095 -36.1725 -15.2634 -37.1435 -59.7148 13.3168 -16.7403 11.088 10.4036 TIMING: 464400 CPU: 1528.4, 0.00320846/step Wall: 1528.4, 0.00320846/step, 4.0423 hours remaining, 230.816406 MB of memory in use. ENERGY: 464400 3968.1933 20450.2422 14453.9450 240.1283 -203595.7966 2617.5019 0.0000 0.0000 51944.1587 -109921.6271 298.5238 -161865.7858 -109563.3228 299.0637 78.3140 108.3298 761731.8824 -0.8004 -0.8006 PRESSURE: 464600 339.094 206.378 85.7943 206.378 -215.61 -58.6768 85.7945 -58.6776 101.144 GPRESSURE: 464600 346.098 104.358 145.018 42.5333 -196.842 -93.0974 84.7092 -84.6954 152.331 PRESSAVG: 464600 8.0083 -14.4609 33.6707 -14.4609 3.62397 34.25 33.6707 34.2501 -24.9556 GPRESSAVG: 464600 6.54481 -17.133 33.621 -16.4041 3.56974 32.8715 32.8814 34.9849 -23.0174 TIMING: 464600 CPU: 1529.03, 0.00314457/step Wall: 1529.03, 0.00314457/step, 3.96163 hours remaining, 231.019531 MB of memory in use. ENERGY: 464600 3873.0962 20562.6094 14430.2277 259.9860 -203743.5897 2696.9534 0.0000 0.0000 51834.2942 -110086.4228 297.8924 -161920.7170 -109726.4611 298.5032 74.8763 100.5289 762470.4404 -4.4411 -4.3010 PRESSURE: 464800 -137.284 85.7402 -251.071 85.7397 71.4301 31.3272 -251.07 31.328 203.399 GPRESSURE: 464800 -96.6978 140.114 -260.624 60.2596 165.449 3.10537 -264.411 -80.4008 149.248 PRESSAVG: 464800 -2.06388 18.2928 2.66258 18.2928 1.26769 13.99 2.6626 13.99 -2.89915 GPRESSAVG: 464800 -1.16353 17.921 2.10512 19.0684 1.03729 13.4606 6.74765 13.6649 -4.24848 TIMING: 464800 CPU: 1529.65, 0.00314087/step Wall: 1529.65, 0.00314087/step, 3.9568 hours remaining, 231.019531 MB of memory in use. ENERGY: 464800 3891.1474 20416.7842 14458.8725 239.7337 -203810.4938 2809.8750 0.0000 0.0000 51910.4254 -110083.6557 298.3299 -161994.0811 -109724.7685 297.8093 45.8485 72.6664 760212.4056 -1.2318 -1.4582 PRESSURE: 465000 -381.367 27.9807 -96.3958 27.9806 -463.673 -94.3954 -96.3956 -94.3941 203.325 GPRESSURE: 465000 -312.636 -10.8869 -102.884 92.2029 -406.078 88.4348 -37.6133 66.5324 163.872 PRESSAVG: 465000 7.18715 -77.1779 66.6276 -77.178 -26.4278 -57.1725 66.6275 -57.1725 13.4624 GPRESSAVG: 465000 6.42023 -76.0834 66.3174 -77.2207 -27.7714 -57.1123 64.2431 -53.8437 15.4186 TIMING: 465000 CPU: 1530.28, 0.00312194/step Wall: 1530.28, 0.00312194/step, 3.93278 hours remaining, 231.019531 MB of memory in use. ENERGY: 465000 4013.6531 20380.7660 14442.1314 236.4642 -203605.0988 2716.4191 0.0000 0.0000 51714.5641 -110101.1010 297.2043 -161815.6651 -109740.9071 297.9964 -213.9046 -184.9473 761526.8897 -1.9261 -1.9775 PRESSURE: 465200 -31.1053 99.8788 113.552 99.8792 -67.5767 -96.801 113.551 -96.801 -612.114 GPRESSURE: 465200 3.64837 -32.6196 33.1726 81.1926 6.06381 -93.0632 41.9139 -146.391 -636.273 PRESSAVG: 465200 -1.62622 -24.5401 80.5909 -24.5401 -7.04796 -13.2365 80.5909 -13.2365 10.3712 GPRESSAVG: 465200 -0.764498 -24.166 80.8686 -26.2135 -7.27529 -12.5388 81.4862 -13.975 9.6581 TIMING: 465200 CPU: 1530.9, 0.00312412/step Wall: 1530.9, 0.00312412/step, 3.93536 hours remaining, 231.019531 MB of memory in use. ENERGY: 465200 4024.5033 20405.9613 14433.1712 237.4857 -203425.4781 2190.0330 0.0000 0.0000 51982.6934 -110151.6302 298.7453 -162134.3237 -109799.6155 298.0309 -236.9319 -208.8538 760831.9972 0.5657 0.5394 PRESSURE: 465400 126.617 -259.212 -192.114 -259.211 376.612 166.353 -192.114 166.353 165.086 GPRESSURE: 465400 227.475 -115.326 -229.964 -224.861 444.28 209.304 -76.5467 41.917 93.9862 PRESSAVG: 465400 -29.1878 -1.03406 25.6935 -1.03403 -31.4411 -0.648624 25.6935 -0.648514 4.57941 GPRESSAVG: 465400 -30.7276 -0.97431 25.3978 0.295226 -29.7957 -1.03752 24.8447 -2.50954 4.91866 TIMING: 465400 CPU: 1531.53, 0.0031469/step Wall: 1531.53, 0.0031469/step, 3.96387 hours remaining, 231.019531 MB of memory in use. ENERGY: 465400 3999.8295 20460.4782 14433.8938 235.2248 -203527.5092 2613.3395 0.0000 0.0000 51688.2507 -110096.4928 297.0531 -161784.7435 -109737.6584 297.9001 222.7718 255.2471 758906.6231 -18.6832 -18.5349 PRESSURE: 465600 -145.216 236.183 -167.902 236.184 -16.3303 42.1423 -167.902 42.1422 -414.27 GPRESSURE: 465600 -168.167 158.915 -173.979 243.535 -23.7248 47.0227 -82.323 -36.3158 -294.631 PRESSAVG: 465600 -29.4677 -61.3874 10.7678 -61.3874 77.5363 -45.1291 10.7678 -45.1292 -18.4399 GPRESSAVG: 465600 -29.0271 -60.3597 11.9539 -61.0767 77.2305 -44.7089 9.09242 -44.1486 -18.7064 TIMING: 465600 CPU: 1532.16, 0.00313368/step Wall: 1532.16, 0.00313368/step, 3.94704 hours remaining, 231.019531 MB of memory in use. ENERGY: 465600 3981.0631 20509.1138 14467.4837 226.9370 -203670.9027 2573.9053 0.0000 0.0000 51887.5890 -110024.8108 298.1987 -161912.3998 -109676.4027 298.2326 -191.9389 -162.1742 760189.7763 9.8762 9.8324 PRESSURE: 465800 -23.5196 162.319 5.5845 162.32 16.8296 -146.914 5.58442 -146.915 157.65 GPRESSURE: 465800 -62.3361 167.745 77.739 133.697 86.9492 -107.644 29.0439 -215.446 200.59 PRESSAVG: 465800 -12.2904 -61.2675 -8.70828 -61.2675 -1.06545 27.2499 -8.7083 27.2499 -17.1572 GPRESSAVG: 465800 -12.7039 -62.9427 -9.19249 -59.1326 -1.46091 27.5613 -8.40932 26.7402 -16.9148 TIMING: 465800 CPU: 1532.79, 0.00313389/step Wall: 1532.79, 0.00313389/step, 3.94714 hours remaining, 231.019531 MB of memory in use. ENERGY: 465800 3940.6402 20472.3999 14511.4228 243.6887 -203524.0435 2495.5798 0.0000 0.0000 51788.5488 -110071.7631 297.6295 -161860.3120 -109711.8197 298.1059 50.3199 75.0678 762891.2778 -10.1710 -10.3599 PRESSURE: 466000 -314.237 -317.281 52.5594 -317.28 60.6739 -74.5655 52.5592 -74.5648 -211.803 GPRESSURE: 466000 -216.008 -263.99 27.0799 -181.546 103.445 -122.061 67.9289 -110.049 -267.571 PRESSAVG: 466000 -13.2415 -8.85142 25.9863 -8.85149 29.1986 -33.2366 25.9863 -33.2365 -12.0493 GPRESSAVG: 466000 -13.0685 -6.37758 25.3367 -11.7149 28.9702 -34.4738 28.2256 -31.9026 -12.0659 TIMING: 466000 CPU: 1533.42, 0.00314599/step Wall: 1533.42, 0.00314599/step, 3.9622 hours remaining, 231.019531 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: 466000 3959.8164 20521.5999 14547.3043 237.6266 -203821.1182 2645.0342 0.0000 0.0000 51818.1887 -110091.5481 297.7998 -161909.7368 -109741.5098 297.9105 -155.1218 -126.7116 761210.7744 1.3026 1.2786 PRESSURE: 466200 -95.1385 35.2566 81.2185 35.2561 -192.725 58.4304 81.2191 58.4315 -464.512 GPRESSURE: 466200 -114.374 -11.4303 33.9832 105.769 -97.727 76.8048 31.079 15.6433 -453.164 PRESSAVG: 466200 -37.091 7.91813 1.79367 7.91811 31.9487 24.1804 1.79366 24.1804 -26.0987 GPRESSAVG: 466200 -36.8643 6.77094 1.65423 9.27487 30.809 26.3696 -0.435435 20.9109 -25.6901 TIMING: 466200 CPU: 1534.04, 0.00313583/step Wall: 1534.04, 0.00313583/step, 3.94922 hours remaining, 231.019531 MB of memory in use. ENERGY: 466200 4065.5899 20231.0673 14508.4169 235.8589 -203684.4898 2704.9459 0.0000 0.0000 51866.4549 -110072.1560 298.0772 -161938.6109 -109718.2829 298.0662 -250.7920 -221.7551 759988.2946 -10.4136 -10.5818 PRESSURE: 466400 -356.102 -15.7228 -117.445 -15.7221 -137.387 -165.301 -117.445 -165.301 240.075 GPRESSURE: 466400 -380.653 32.4621 -63.154 28.0946 -51.459 -202.183 -68.2712 -53.0418 230.724 PRESSAVG: 466400 -6.44686 8.86271 -13.0681 8.8627 24.9754 28.8421 -13.0681 28.8422 -0.0827796 GPRESSAVG: 466400 -7.35413 9.08155 -11.1973 7.17083 26.6258 27.099 -13.575 31.6266 -0.0083282 TIMING: 466400 CPU: 1534.67, 0.00313741/step Wall: 1534.67, 0.00313741/step, 3.95104 hours remaining, 231.019531 MB of memory in use. ENERGY: 466400 3964.6921 20401.4344 14445.5534 236.2296 -203496.9135 2547.5664 0.0000 0.0000 51886.6360 -110014.8016 298.1932 -161901.4376 -109647.6195 298.3638 -84.4712 -67.1291 762541.7947 6.1486 6.4211 PRESSURE: 466600 181.94 89.5991 -128.019 89.5985 33.1942 181.353 -128.019 181.353 103.649 GPRESSURE: 466600 234.736 -15.6242 -141.837 175.406 116.329 58.297 -134.426 80.6569 35.4837 PRESSAVG: 466600 -41.7298 -3.85305 0.313949 -3.85297 0.998841 19.6136 0.313875 19.6136 -4.56031 GPRESSAVG: 466600 -42.061 -4.49889 0.615715 -2.1302 1.71848 20.2788 1.81238 18.3545 -4.81152 TIMING: 466600 CPU: 1535.3, 0.00313114/step Wall: 1535.3, 0.00313114/step, 3.94298 hours remaining, 231.019531 MB of memory in use. ENERGY: 466600 3993.5296 20476.3117 14427.8887 247.8447 -203278.2495 2487.6504 0.0000 0.0000 51695.4159 -109949.6085 297.0943 -161645.0244 -109580.7826 297.7031 106.2613 128.8494 763342.0872 -15.0971 -15.0513 PRESSURE: 466800 -59.6535 -175.433 137.878 -175.434 212.063 -19.8803 137.879 -19.8793 -37.7973 GPRESSURE: 466800 118.142 -131.21 59.8822 -147.107 118.125 26.1075 172.327 -27.0087 -18.4309 PRESSAVG: 466800 -0.0215087 12.9093 25.6384 12.9093 -12.3113 -33.4613 25.6384 -33.4612 -8.21191 GPRESSAVG: 466800 1.37053 12.6429 26.0901 11.9153 -14.3803 -34.8439 22.5941 -34.1329 -7.46032 TIMING: 466800 CPU: 1535.92, 0.00314048/step Wall: 1535.92, 0.00314048/step, 3.95456 hours remaining, 231.019531 MB of memory in use. ENERGY: 466800 3913.7565 20544.6628 14459.0054 231.8936 -203071.9022 2312.0227 0.0000 0.0000 51825.9453 -109784.6160 297.8444 -161610.5612 -109428.5866 297.9796 38.2041 72.6121 762391.8102 -6.8482 -6.8234 PRESSURE: 467000 203.625 143.489 -201.802 143.489 225.253 69.0071 -201.801 69.0074 -179.713 GPRESSURE: 467000 238.334 280.562 -243.545 -23.7653 316.843 97.6375 -109.094 83.9228 -213.828 PRESSAVG: 467000 -47.387 36.0595 15.9488 36.0595 49.6896 14.226 15.9488 14.2259 4.27438 GPRESSAVG: 467000 -45.7972 38.948 14.8526 34.0317 49.9973 18.0185 19.7788 13.4313 2.68772 TIMING: 467000 CPU: 1536.55, 0.0031469/step Wall: 1536.55, 0.0031469/step, 3.96247 hours remaining, 231.019531 MB of memory in use. ENERGY: 467000 3939.9109 20576.0986 14459.9709 254.0604 -203223.9820 2606.6724 0.0000 0.0000 51848.6444 -109538.6244 297.9749 -161387.2688 -109177.7345 298.3654 83.0549 113.7829 761684.2583 2.1923 2.2959 PRESSURE: 467200 -54.115 -60.9724 -120.939 -60.9724 136.598 -145.441 -120.939 -145.441 25.5988 GPRESSURE: 467200 -43.8311 -125.196 -118.262 20.1684 176.925 -95.2791 -110.642 -91.8989 65.7453 PRESSAVG: 467200 6.46862 29.3927 -12.0252 29.3928 2.2007 20.3228 -12.0252 20.3228 -1.65407 GPRESSAVG: 467200 5.82536 27.6986 -12.5701 30.8828 2.37777 17.5622 -13.2874 22.396 -0.949686 TIMING: 467200 CPU: 1537.18, 0.00314354/step Wall: 1537.18, 0.00314354/step, 3.95807 hours remaining, 231.019531 MB of memory in use. ENERGY: 467200 3960.2923 20346.8173 14386.5084 225.4657 -202965.6346 2359.4466 0.0000 0.0000 52089.5042 -109597.6001 299.3591 -161687.1043 -109236.4727 298.5296 36.0271 66.2796 761008.9779 2.3384 2.4178 PRESSURE: 467400 -210.405 -196.752 37.5886 -196.753 -95.1012 95.0937 37.5882 95.094 146.909 GPRESSURE: 467400 -125.993 -136.502 47.5109 -210.23 -79.8804 188.893 91.2947 29.6768 152.684 PRESSAVG: 467400 15.7844 18.4405 -2.22705 18.4405 9.03462 11.9039 -2.22711 11.904 -8.17751 GPRESSAVG: 467400 16.1656 18.0354 -2.9369 19.1973 8.98881 11.7798 -2.73883 12.8833 -8.05663 TIMING: 467400 CPU: 1537.81, 0.00314002/step Wall: 1537.81, 0.00314002/step, 3.95346 hours remaining, 231.019531 MB of memory in use. ENERGY: 467400 3911.9171 20498.8943 14424.6564 240.6002 -203352.7052 2490.9909 0.0000 0.0000 52044.9155 -109740.7308 299.1028 -161785.6463 -109378.6390 298.7848 -52.8658 -17.7298 761374.1740 5.5472 5.6993 PRESSURE: 467600 -201.575 8.70053 36.6285 8.7015 -8.32117 -147.537 36.6279 -147.538 -94.0376 GPRESSURE: 467600 -110.567 42.4994 126.216 -6.12457 -7.30367 -256.421 84.866 -174.088 -118.365 PRESSAVG: 467600 38.3462 3.97367 0.642726 3.9737 -33.1735 14.3469 0.642726 14.3469 -3.62394 GPRESSAVG: 467600 37.8521 3.52097 2.30551 3.24522 -32.6025 14.0338 1.18276 12.8143 -4.01156 TIMING: 467600 CPU: 1538.44, 0.00315567/step Wall: 1538.44, 0.00315567/step, 3.97299 hours remaining, 231.019531 MB of memory in use. ENERGY: 467600 3966.1428 20373.5657 14474.5876 250.7125 -203345.7541 2489.2166 0.0000 0.0000 51915.2545 -109876.2744 298.3577 -161791.5289 -109516.2374 298.2148 -101.3112 -78.7454 760350.7477 0.5163 0.4127 PRESSURE: 467800 -203.981 -239.001 -23.2122 -239.002 57.8484 152.69 -23.2127 152.691 -49.715 GPRESSURE: 467800 -47.8739 -158.408 -70.2527 -258.046 7.90752 102.163 17.2572 77.9324 -67.9701 PRESSAVG: 467800 54.1795 26.3617 -18.8311 26.3617 -32.4963 -30.0809 -18.8311 -30.081 -5.14056 GPRESSAVG: 467800 55.0141 27.045 -18.7849 27.289 -34.0005 -28.6742 -19.8673 -31.9988 -5.26604 TIMING: 467800 CPU: 1539.07, 0.0031378/step Wall: 1539.07, 0.0031378/step, 3.95032 hours remaining, 231.019531 MB of memory in use. ENERGY: 467800 3899.2439 20601.4072 14494.5299 247.0261 -203162.8918 2354.4365 0.0000 0.0000 51765.2019 -109801.0463 297.4953 -161566.2482 -109442.9434 298.1154 -65.2827 -35.9788 760983.5321 5.5142 5.2492 PRESSURE: 468000 97.6047 53.7661 -68.6757 53.7657 233.634 -98.5883 -68.6757 -98.5881 -100.458 GPRESSURE: 468000 131.898 77.9621 -58.4684 68.8865 256.192 -113.34 -79.1169 -134.938 -56.8933 PRESSAVG: 468000 -26.3896 38.9292 43.0314 38.9292 57.2952 -63.2022 43.0314 -63.2023 -2.96958 GPRESSAVG: 468000 -27.3207 38.6285 42.4335 38.9859 57.8801 -64.3935 44.8829 -61.4946 -2.56036 TIMING: 468000 CPU: 1539.7, 0.00315652/step Wall: 1539.7, 0.00315652/step, 3.97371 hours remaining, 231.019531 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: 468000 3935.7294 20624.4487 14421.3028 268.4086 -203453.0921 2571.6563 0.0000 0.0000 51901.6248 -109729.9216 298.2794 -161631.5463 -109371.5245 298.7636 76.9268 110.3989 758896.7196 9.3120 9.3330 PRESSURE: 468200 -174.908 -155.113 156.878 -155.113 -42.1136 -32.8315 156.879 -32.8322 -205.958 GPRESSURE: 468200 -206.808 -53.6419 186.846 -131.574 -43.4753 -44.2476 104.46 31.0955 -82.6656 PRESSAVG: 468200 -52.7668 -23.6526 23.1974 -23.6526 22.9421 -21.1714 23.1974 -21.1714 0.885799 GPRESSAVG: 468200 -52.972 -23.6011 23.8326 -23.9136 23.08 -21.4846 21.2708 -19.0141 1.47529 TIMING: 468200 CPU: 1540.33, 0.00312857/step Wall: 1540.33, 0.00312857/step, 3.93835 hours remaining, 231.019531 MB of memory in use. ENERGY: 468200 3873.7845 20502.2275 14440.6178 219.9110 -202891.2725 2320.1902 0.0000 0.0000 51977.9789 -109556.5626 298.7182 -161534.5415 -109189.0933 298.8841 -140.9931 -110.9830 762366.7965 -9.6463 -9.4723 LDB: ============= START OF LOAD BALANCING ============== 1552.75 LDB: ============== END OF LOAD BALANCING =============== 1552.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1552.75 LDB: ============= START OF LOAD BALANCING ============== 1553.06 LDB: Largest compute 7045 load 0.033640 is 17.2% of average load 0.195127 LDB: Average compute 0.004397 is 2.3% of average load 0.195127 LDB: TIME 1553.06 LOAD: AVG 0.195127 MAX 0.213901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233 MB LDB: TIME 1553.06 LOAD: AVG 0.195127 MAX 0.213901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: TIME 1553.06 LOAD: AVG 0.195127 MAX 0.213901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: ============== END OF LOAD BALANCING =============== 1553.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1553.07 PRESSURE: 468400 158.544 -212.118 82.6993 -212.119 -104.621 105.699 82.6998 105.698 -351.319 GPRESSURE: 468400 174.048 -81.405 57.7889 -230.199 -99.5466 181.095 202.207 26.406 -283.841 PRESSAVG: 468400 7.2413 -45.4063 8.11936 -45.4064 -9.58931 28.9082 8.11935 28.9082 14.9072 GPRESSAVG: 468400 6.58685 -46.667 7.18765 -43.855 -9.26521 30.2533 9.31726 28.2122 14.9906 TIMING: 468400 CPU: 1540.96, 0.00318899/step Wall: 1540.96, 0.00318899/step, 4.01423 hours remaining, 231.328125 MB of memory in use. ENERGY: 468400 4048.5395 20527.6014 14402.4528 248.0782 -203167.6337 2373.2991 0.0000 0.0000 51907.7037 -109659.9590 298.3143 -161567.6627 -109298.8174 298.6452 -99.1320 -69.7801 759875.1892 4.1864 4.1041 PRESSURE: 468600 82.6163 -13.8739 -261.412 -13.8743 -97.9804 17.2728 -261.412 17.2734 388.301 GPRESSURE: 468600 139.495 -45.8275 -155.735 -11.4165 -70.0151 106.134 -220.991 80.9168 381.496 PRESSAVG: 468600 -17.8692 -48.7327 11.6736 -48.7327 -12.1627 36.4393 11.6737 36.4393 -13.2939 GPRESSAVG: 468600 -17.3144 -48.2065 13.7837 -50.3953 -11.6086 35.9406 10.0613 35.02 -15.0988 TIMING: 468600 CPU: 1541.59, 0.00315458/step Wall: 1541.59, 0.00315458/step, 3.97074 hours remaining, 231.328125 MB of memory in use. ENERGY: 468600 3995.0675 20640.8561 14444.5709 247.9304 -203449.8800 2643.6487 0.0000 0.0000 51856.6146 -109621.1917 298.0207 -161477.8064 -109265.9200 298.9029 124.3123 150.3255 763030.1478 -14.4419 -14.6739 PRESSURE: 468800 86 -36.8466 110.645 -36.8475 -542.316 172.645 110.643 172.646 -137.947 GPRESSURE: 468800 66.1068 42.6246 119.275 -224.682 -539.555 165.929 152.135 72.0403 -35.7477 PRESSAVG: 468800 40.8852 -52.1721 -24.1148 -52.1721 -2.03349 6.12134 -24.1149 6.12134 -16.7871 GPRESSAVG: 468800 40.1437 -50.0047 -25.8697 -53.1426 -2.01991 6.34132 -21.3872 6.5272 -15.8845 TIMING: 468800 CPU: 1542.23, 0.00315474/step Wall: 1542.23, 0.00315474/step, 3.97076 hours remaining, 231.328125 MB of memory in use. ENERGY: 468800 4035.4518 20577.9814 14504.0382 225.6840 -203483.4155 2576.9831 0.0000 0.0000 51988.6758 -109574.6012 298.7796 -161563.2770 -109211.7184 298.9983 -198.0876 -169.7319 761473.8650 7.3549 7.4131 PRESSURE: 469000 262.693 69.782 -14.633 69.7814 -360.402 164.758 -14.6328 164.759 45.4336 GPRESSURE: 469000 297.107 60.5168 -58.7411 -26.4681 -285.746 111.34 -80.2284 132.723 30.6934 PRESSAVG: 469000 5.82891 -57.9169 35.9652 -57.917 -9.30378 6.07417 35.9652 6.0742 14.3972 GPRESSAVG: 469000 5.13217 -58.2086 36.5722 -55.4989 -9.51613 4.27803 33.3979 6.6939 14.9592 TIMING: 469000 CPU: 1542.85, 0.0031422/step Wall: 1542.85, 0.0031422/step, 3.95481 hours remaining, 231.328125 MB of memory in use. ENERGY: 469000 4033.5241 20419.6112 14539.0024 267.5466 -202778.7506 2161.2540 0.0000 0.0000 51969.2576 -109388.5547 298.6680 -161357.8123 -109018.1671 299.2900 -17.4253 14.0182 761174.2606 3.6408 3.5251 PRESSURE: 469200 144.655 -99.4946 -82.3698 -99.4939 476.374 14.6495 -82.3706 14.6503 577.304 GPRESSURE: 469200 174.158 41.0963 -31.4485 -192.522 483.269 15.7389 14.1679 -79.0078 628.444 PRESSAVG: 469200 70.3307 -64.2302 39.1532 -64.2301 -45.8566 3.31058 39.1533 3.31063 -0.418711 GPRESSAVG: 469200 71.9839 -64.4786 38.6653 -66.5458 -46.5747 4.48357 40.8369 3.28684 -1.57741 TIMING: 469200 CPU: 1543.48, 0.00314559/step Wall: 1543.48, 0.00314559/step, 3.95891 hours remaining, 231.328125 MB of memory in use. ENERGY: 469200 3956.4361 20439.8029 14543.1410 250.9509 -203233.1542 2761.6030 0.0000 0.0000 52078.1571 -109203.0632 299.2939 -161281.2203 -108838.2171 299.0053 399.4442 428.6235 759696.8282 8.0185 7.9439 PRESSURE: 469400 -219.629 94.1942 114.185 94.1947 62.9017 -0.505194 114.185 -0.505473 -229.728 GPRESSURE: 469400 -243.046 23.906 61.0292 17.1368 56.8634 15.4587 77.3375 -51.1184 -142.789 PRESSAVG: 469400 39.6846 -3.83918 -15.2433 -3.83926 -9.90238 42.1836 -15.2433 42.1837 11.508 GPRESSAVG: 469400 40.0593 -5.3736 -14.2404 -1.49946 -10.1379 41.2786 -17.0439 42.0887 11.145 TIMING: 469400 CPU: 1544.11, 0.00315067/step Wall: 1544.11, 0.00315067/step, 3.96512 hours remaining, 231.328125 MB of memory in use. ENERGY: 469400 4066.6145 20633.6153 14488.7481 250.3954 -203075.8783 2411.8884 0.0000 0.0000 51963.9959 -109260.6206 298.6378 -161224.6165 -108908.2627 299.1951 -128.8182 -109.6572 762115.5119 13.7634 13.6888 PRESSURE: 469600 -151.402 -299.792 -20.8085 -299.792 -186.884 190.025 -20.8081 190.025 -369.755 GPRESSURE: 469600 -68.9942 -213.935 13.1083 -218.08 -218.522 148.029 -0.75296 105.778 -324.893 PRESSAVG: 469600 19.4969 -64.2444 42.6278 -64.2444 8.62477 43.5914 42.6279 43.5915 5.46496 GPRESSAVG: 469600 18.8245 -63.0589 42.7519 -64.0773 9.73747 45.3365 41.0849 41.3951 5.32833 TIMING: 469600 CPU: 1544.75, 0.00316125/step Wall: 1544.75, 0.00316125/step, 3.97826 hours remaining, 231.328125 MB of memory in use. ENERGY: 469600 4044.2863 20547.5982 14557.6947 261.3927 -203206.0191 2279.7791 0.0000 0.0000 52201.3538 -109313.9142 300.0019 -161515.2680 -108947.0801 299.7599 -236.0140 -204.1365 761198.0380 11.1955 11.2968 PRESSURE: 469800 22.7484 49.9448 -21.8154 49.9455 -360.06 -132.989 -21.8138 -132.988 15.265 GPRESSURE: 469800 46.1329 154.257 -61.122 -11.8414 -291.878 -150.161 96.4821 -88.9801 -0.11493 PRESSAVG: 469800 24.0473 -59.4256 28.0488 -59.4256 -45.988 -54.5158 28.0489 -54.5158 15.3799 GPRESSAVG: 469800 25.2401 -59.8726 27.3535 -60.6193 -47.3707 -55.1344 31.1783 -52.1835 14.729 TIMING: 469800 CPU: 1545.38, 0.00315716/step Wall: 1545.38, 0.00315716/step, 3.97294 hours remaining, 231.328125 MB of memory in use. ENERGY: 469800 3921.3443 20585.4652 14427.0480 252.5588 -203295.1760 2381.5093 0.0000 0.0000 52266.3871 -109460.8632 300.3756 -161727.2504 -109094.8814 299.6007 -107.3489 -81.9534 762037.5821 -2.1870 -2.4672 PRESSURE: 470000 77.592 1.64335 41.187 1.64329 106.036 -292.626 41.1882 -292.626 -465.493 GPRESSURE: 470000 73.4551 -89.0146 53.3403 -40.3926 124.614 -291.506 6.743 -264.465 -410.441 PRESSAVG: 470000 60.5464 -36.2737 14.0038 -36.2736 -48.9025 -34.2102 14.0037 -34.2101 -16.3706 GPRESSAVG: 470000 58.3417 -35.2568 13.6235 -35.7755 -48.6109 -33.0822 13.5735 -36.7024 -15.1534 TIMING: 470000 CPU: 1546.01, 0.00316192/step Wall: 1546.01, 0.00316192/step, 3.97875 hours remaining, 231.328125 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: 470000 4067.7180 20447.0099 14539.4792 254.7945 -203553.2044 2600.9129 0.0000 0.0000 52085.7206 -109557.5693 299.3374 -161643.2899 -109192.3908 299.4462 -93.9550 -70.7906 761253.3521 -1.5756 -1.8075 PRESSURE: 470200 -332.387 23.7517 60.2789 23.7521 345.728 -8.62506 60.2792 -8.62482 23.098 GPRESSURE: 470200 -197.414 -24.5833 10.4071 47.6342 400.241 20.565 141.316 -26.7603 -53.8778 PRESSAVG: 470200 -47.0103 -40.9315 -18.7429 -40.9316 71.4366 -29.1892 -18.7429 -29.1893 19.6521 GPRESSAVG: 470200 -44.922 -42.4184 -19.5756 -39.1297 71.528 -29.0168 -19.5332 -28.528 18.089 TIMING: 470200 CPU: 1546.64, 0.00316052/step Wall: 1546.64, 0.00316052/step, 3.97682 hours remaining, 231.328125 MB of memory in use. ENERGY: 470200 4042.2117 20465.3810 14438.8994 237.7821 -203478.1404 2587.1801 0.0000 0.0000 52017.0644 -109689.6217 298.9428 -161706.6861 -109333.5456 299.4228 12.1462 49.6497 758819.9162 14.6928 14.8983 PRESSURE: 470400 68.4928 -91.0167 122.845 -91.0166 181.827 -64.3583 122.844 -64.3591 297.897 GPRESSURE: 470400 147.385 -41.1543 24.8928 -118.99 258.853 -33.4943 81.4191 -61.6183 258.133 PRESSAVG: 470400 2.14058 -7.22722 -38.8122 -7.22715 22.1682 38.7293 -38.8121 38.7293 -24.2716 GPRESSAVG: 470400 0.496716 -5.05453 -37.3249 -10.6378 22.6559 38.3612 -38.1992 37.8647 -22.3515 TIMING: 470400 CPU: 1547.27, 0.00314545/step Wall: 1547.27, 0.00314545/step, 3.95767 hours remaining, 231.328125 MB of memory in use. ENERGY: 470400 3924.6977 20563.1382 14479.5224 256.6232 -203645.5966 2600.8628 0.0000 0.0000 52107.3817 -109713.3705 299.4618 -161820.7523 -109355.0815 299.0150 182.7391 221.4572 760216.6043 0.0124 0.2670 PRESSURE: 470600 68.9363 12.109 -154.084 12.1084 68.9999 -117.993 -154.085 -117.993 -354.593 GPRESSURE: 470600 157.323 13.5934 -243.623 70.4126 32.144 -92.8287 -72.9047 -159.814 -312.612 PRESSAVG: 470600 -8.3817 11.8805 -2.37564 11.8806 -13.3611 48.9579 -2.37569 48.9578 13.9354 GPRESSAVG: 470600 -7.0736 9.96505 -2.71323 15.126 -13.9339 49.9966 -3.13766 49.5304 13.3138 TIMING: 470600 CPU: 1547.89, 0.00311991/step Wall: 1547.89, 0.00311991/step, 3.92537 hours remaining, 231.328125 MB of memory in use. ENERGY: 470600 3957.5580 20409.0151 14519.4138 234.2019 -203221.4243 2293.3526 0.0000 0.0000 52019.2928 -109788.5901 298.9556 -161807.8829 -109429.9676 298.7965 -72.2188 -41.0485 761856.8973 -2.6024 -2.5646 PRESSURE: 470800 240.423 -49.736 -47.9714 -49.7358 19.6288 -32.0249 -47.9713 -32.0245 84.4777 GPRESSURE: 470800 264.802 -47.6524 -120.218 -74.6161 -7.56369 -59.0367 -124.037 -71.2871 157.558 PRESSAVG: 470800 67.8171 -15.356 -14.3636 -15.356 -51.4766 30.8325 -14.3636 30.8324 -18.5236 GPRESSAVG: 470800 67.6206 -15.2341 -13.6128 -17.9583 -50.2975 29.1446 -13.4269 30.7459 -19.8361 TIMING: 470800 CPU: 1548.52, 0.00312728/step Wall: 1548.52, 0.00312728/step, 3.93447 hours remaining, 231.328125 MB of memory in use. ENERGY: 470800 4055.8898 20432.0350 14423.1833 242.8959 -203190.3088 2540.6899 0.0000 0.0000 51739.9411 -109755.6737 297.3502 -161495.6149 -109403.3213 298.4604 114.8433 138.2653 761349.8598 -0.7277 -0.8377 PRESSURE: 471000 142.762 -309.225 6.37871 -309.225 2.71217 7.58149 6.37763 7.58226 494.845 GPRESSURE: 471000 125.788 -374.758 44.8295 -263.616 45.1615 23.005 11.5027 69.4668 556.51 PRESSAVG: 471000 4.90118 -16.4316 -48.9941 -16.4316 -6.53477 -54.1756 -48.9941 -54.1755 -6.01999 GPRESSAVG: 471000 4.71228 -16.3899 -51.9014 -13.7728 -8.52165 -53.847 -46.9942 -52.3307 -4.08819 TIMING: 471000 CPU: 1549.15, 0.00313287/step Wall: 1549.15, 0.00313287/step, 3.94132 hours remaining, 231.328125 MB of memory in use. ENERGY: 471000 4029.9869 20352.4829 14486.1131 239.3671 -203492.8810 2801.1860 0.0000 0.0000 51620.0273 -109963.7176 296.6610 -161583.7449 -109602.4606 298.1935 213.4396 242.4867 760279.3642 -2.5512 -2.6325 PRESSURE: 471200 250.98 144.393 159.543 144.393 -170.462 -42.9652 159.544 -42.9645 -336.953 GPRESSURE: 471200 203.29 145.648 55.0348 18.3119 -143.611 -98.236 105.683 -76.5934 -235.868 PRESSAVG: 471200 24.5597 -58.3432 -20.2536 -58.3433 -26.3997 -57.5358 -20.2536 -57.5358 12.8267 GPRESSAVG: 471200 24.0625 -57.3684 -17.7028 -63.1524 -25.5042 -57.6764 -23.9336 -56.5722 12.4777 TIMING: 471200 CPU: 1549.81, 0.00329716/step Wall: 1549.81, 0.00329716/step, 4.14783 hours remaining, 231.328125 MB of memory in use. ENERGY: 471200 3904.3842 20366.6910 14461.0385 246.9207 -203300.5712 2419.7868 0.0000 0.0000 52037.2216 -109864.5284 299.0586 -161901.7500 -109509.7034 298.5067 -85.4787 -58.7297 759888.1469 3.6622 3.6786 PRESSURE: 471400 -112.774 -281.257 -184.309 -281.256 -184.473 -113.812 -184.31 -113.811 -132.707 GPRESSURE: 471400 -47.7488 -158.655 -312.977 -164.002 -93.879 -75.2693 -100.167 -170.983 -196.092 PRESSAVG: 471400 26.2601 -49.4528 -74.4116 -49.4528 -30.4046 -54.4384 -74.4116 -54.4383 -7.2921 GPRESSAVG: 471400 26.4758 -49.1671 -76.0508 -46.2503 -30.4265 -53.7267 -72.2072 -58.4359 -7.45631 TIMING: 471400 CPU: 1550.43, 0.00313448/step Wall: 1550.43, 0.00313448/step, 3.943 hours remaining, 231.328125 MB of memory in use. ENERGY: 471400 3856.4553 20385.1668 14466.2198 255.9410 -203478.6284 2398.7711 0.0000 0.0000 52044.7221 -110071.3523 299.1017 -162116.0744 -109709.9417 298.3852 -143.3179 -112.5734 761930.9268 -3.8122 -3.8024 PRESSURE: 471600 -405.988 102.261 136.556 102.261 -275.926 34.7109 136.557 34.7111 -131.431 GPRESSURE: 471600 -437.201 54.4959 179.769 -4.87959 -180.995 96.9321 27.581 22.4954 -101.481 PRESSAVG: 471600 3.67601 -70.3824 0.574177 -70.3824 -32.5806 -13.6278 0.574196 -13.6277 -7.43887 GPRESSAVG: 471600 3.7369 -71.7472 1.28795 -69.9697 -32.7338 -15.2534 -0.810026 -11.2983 -7.57625 TIMING: 471600 CPU: 1551.06, 0.0031413/step Wall: 1551.06, 0.0031413/step, 3.95141 hours remaining, 231.328125 MB of memory in use. ENERGY: 471600 3994.0152 20395.2052 14492.2870 220.9257 -203428.4294 2525.0864 0.0000 0.0000 51934.3521 -109866.5578 298.4674 -161800.9100 -109507.3405 298.2656 -271.1149 -239.8922 762751.0349 -12.1145 -12.1910 PRESSURE: 471800 242.373 -49.0105 44.581 -49.0113 58.9249 -61.2623 44.5808 -61.2624 -44.0891 GPRESSURE: 471800 219.734 57.7164 -14.2459 -25.7063 153.328 -46.007 -21.2724 28.3682 -28.1575 PRESSAVG: 471800 -30.2497 -71.6512 13.2931 -71.6512 34.9483 -41.7024 13.2931 -41.7024 -8.39821 GPRESSAVG: 471800 -29.8528 -70.8079 11.9005 -73.0388 35.6285 -39.9125 13.0461 -42.301 -9.59563 TIMING: 471800 CPU: 1551.69, 0.00313961/step Wall: 1551.69, 0.00313961/step, 3.94911 hours remaining, 231.328125 MB of memory in use. ENERGY: 471800 4002.9442 20572.9446 14460.1857 250.8258 -203363.2615 2498.8231 0.0000 0.0000 51891.3379 -109686.2002 298.2202 -161577.5381 -109328.2764 298.5483 85.7364 114.9680 761401.5136 -1.2332 -1.2733 PRESSURE: 472000 205.362 131.333 -139.682 131.333 -303 -60.6185 -139.682 -60.6184 91.9943 GPRESSURE: 472000 175.633 182.986 -220.648 91.4128 -199.197 -119.024 -37.5044 -77.5979 113.398 PRESSAVG: 472000 29.5015 1.71253 2.03043 1.71251 -28.2107 20.1069 2.03047 20.1069 17.6324 GPRESSAVG: 472000 29.1526 2.70312 3.6134 1.79867 -28.5616 17.2805 2.86 20.6864 18.5408 TIMING: 472000 CPU: 1552.32, 0.00314495/step Wall: 1552.32, 0.00314495/step, 3.95565 hours remaining, 231.328125 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: 472000 3946.0868 20240.6125 14493.6917 242.3114 -203579.3889 2673.3074 0.0000 0.0000 52211.2458 -109772.1332 300.0587 -161983.3791 -109411.1159 298.7316 -1.8814 29.9446 760793.1363 6.3077 6.3773 PRESSURE: 472200 -582.311 -225.74 245.807 -225.739 266.983 49.0206 245.807 49.0205 -119.936 GPRESSURE: 472200 -494.29 -301.777 296.792 -282.306 264.508 43.3393 176.532 132.595 -120.279 PRESSAVG: 472200 23.4928 -50.1376 -17.8858 -50.1377 -1.84376 -3.56245 -17.8859 -3.56248 -12.8852 GPRESSAVG: 472200 23.8014 -51.0814 -18.168 -50.8235 -2.24122 -1.47116 -17.0335 -3.73993 -12.9724 TIMING: 472200 CPU: 1552.95, 0.00314893/step Wall: 1552.95, 0.00314893/step, 3.96048 hours remaining, 231.328125 MB of memory in use. ENERGY: 472200 4039.5366 20475.2265 14514.8987 231.4693 -203027.1513 2150.1764 0.0000 0.0000 51553.7201 -110062.1238 296.2799 -161615.8439 -109706.0638 298.3554 -145.0879 -116.6873 759975.2709 2.9213 2.8626 LDB: ============= START OF LOAD BALANCING ============== 1565.37 LDB: ============== END OF LOAD BALANCING =============== 1565.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1565.37 LDB: ============= START OF LOAD BALANCING ============== 1565.69 LDB: Largest compute 7076 load 0.034879 is 17.9% of average load 0.195182 LDB: Average compute 0.004390 is 2.2% of average load 0.195182 LDB: TIME 1565.69 LOAD: AVG 0.195182 MAX 0.212377 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 1565.69 LOAD: AVG 0.195182 MAX 0.212377 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: TIME 1565.69 LOAD: AVG 0.195182 MAX 0.212377 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: ============== END OF LOAD BALANCING =============== 1565.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1565.7 PRESSURE: 472400 -105.78 -38.1191 109.004 -38.1204 -155.876 6.86156 109.004 6.86219 41.7318 GPRESSURE: 472400 -59.0933 -97.6864 63.4151 53.555 -127.383 73.4003 80.0453 -111.593 61.1635 PRESSAVG: 472400 -22.1135 -60.158 18.7275 -60.158 28.7087 -3.64289 18.7276 -3.64292 -2.39615 GPRESSAVG: 472400 -22.6465 -59.6948 17.2023 -58.9988 28.1509 -4.00873 18.9444 -3.49001 -1.5211 TIMING: 472400 CPU: 1553.59, 0.00322251/step Wall: 1553.59, 0.00322251/step, 4.05284 hours remaining, 231.585938 MB of memory in use. ENERGY: 472400 4016.8921 20323.7740 14483.0762 207.5554 -203326.5793 2406.4602 0.0000 0.0000 51923.3690 -109965.4524 298.4043 -161888.8214 -109606.9676 298.2194 -73.3082 -41.7708 760773.8684 1.3997 1.3278 PRESSURE: 472600 11.4126 22.2457 -160.992 22.2458 -347.463 -42.5865 -160.992 -42.5856 -17.3484 GPRESSURE: 472600 2.03864 21.3002 -109.713 -71.8945 -333.847 -10.7605 -320.763 8.06994 69.0722 PRESSAVG: 472600 42.1478 -64.4713 18.6782 -64.4713 -1.82152 -17.5073 18.6782 -17.5073 3.45651 GPRESSAVG: 472600 42.1692 -65.2951 18.9168 -63.9064 -1.56354 -16.9776 16.8164 -16.6515 3.26504 TIMING: 472600 CPU: 1554.22, 0.00315133/step Wall: 1554.22, 0.00315134/step, 3.96315 hours remaining, 231.585938 MB of memory in use. ENERGY: 472600 3980.4536 20346.2005 14454.4960 253.4082 -203576.2166 2511.0618 0.0000 0.0000 51981.0892 -110049.5073 298.7360 -162030.5964 -109680.1428 298.3345 -117.7997 -87.5786 759672.9888 14.5943 14.6236 PRESSURE: 472800 -109.825 -161.378 -11.8541 -161.377 107.435 156.011 -11.8545 156.011 -518.726 GPRESSURE: 472800 -0.631838 -119.899 80.6868 -123.247 76.931 136.413 10.4857 200.397 -503.309 PRESSAVG: 472800 -4.36719 6.75489 28.4148 6.75492 28.9639 -3.21062 28.4148 -3.21058 4.1941 GPRESSAVG: 472800 -4.21408 7.80637 31.3545 6.9631 30.7504 -4.19705 28.9826 -2.90594 2.70414 TIMING: 472800 CPU: 1554.85, 0.00314982/step Wall: 1554.85, 0.00314982/step, 3.96107 hours remaining, 231.640625 MB of memory in use. ENERGY: 472800 3980.5298 20472.0356 14410.6216 254.3035 -203132.4557 2174.0402 0.0000 0.0000 51995.1075 -109845.8175 298.8166 -161840.9250 -109478.4738 298.2570 -173.7050 -142.3365 760130.1743 9.5969 9.7468 PRESSURE: 473000 431.102 -63.0249 -32.3384 -63.0244 60.4605 72.5296 -32.3378 72.5286 434.721 GPRESSURE: 473000 370.65 -154.742 23.1635 -135.313 99.3008 110.387 -37.2896 65.5249 537.978 PRESSAVG: 473000 61.1164 -11.8236 15.1405 -11.8235 0.17973 -37.5948 15.1405 -37.5948 -5.92294 GPRESSAVG: 473000 62.051 -12.527 14.12 -11.9465 -2.08536 -38.021 14.5509 -39.9609 -4.63297 TIMING: 473000 CPU: 1555.48, 0.00316028/step Wall: 1555.48, 0.00316028/step, 3.97406 hours remaining, 231.640625 MB of memory in use. ENERGY: 473000 3872.9665 20617.2753 14480.8610 250.1435 -203465.9044 2453.4998 0.0000 0.0000 51853.1002 -109938.0582 298.0005 -161791.1583 -109576.0140 298.5770 308.7611 335.9763 759256.7248 18.4577 18.4442 PRESSURE: 473200 -215.598 23.9305 -103.982 23.9313 57.4767 -42.0091 -103.982 -42.0096 80.3338 GPRESSURE: 473200 -243.352 42.1286 -123.607 -111.847 156.248 -15.4508 -13.2597 -134.212 91.7701 PRESSAVG: 473200 18.9576 -25.1164 22.0398 -25.1163 9.73903 10.8064 22.0399 10.8063 29.9399 GPRESSAVG: 473200 18.2585 -24.4276 21.6904 -26.2443 10.289 12.0235 22.1665 10.6731 29.7496 TIMING: 473200 CPU: 1556.11, 0.00314192/step Wall: 1556.11, 0.00314192/step, 3.95079 hours remaining, 231.640625 MB of memory in use. ENERGY: 473200 4005.8295 20586.9195 14489.9184 249.5783 -203209.1223 2175.4014 0.0000 0.0000 51812.8510 -109888.6242 297.7692 -161701.4752 -109525.4131 298.9106 -25.9292 1.5553 759686.5688 19.5455 19.4324 PRESSURE: 473400 -275.878 -120.347 -32.3851 -120.346 -130.039 106.355 -32.3859 106.355 -80.787 GPRESSURE: 473400 -154.929 -87.2331 7.35968 -47.3207 -162.604 140.395 -45.9494 66.146 -86.5195 PRESSAVG: 473400 27.2924 -62.1924 5.8546 -62.1925 -19.0248 -28.6211 5.85461 -28.6211 -6.19582 GPRESSAVG: 473400 27.0458 -62.5353 6.22833 -60.2958 -18.0273 -30.2588 6.22918 -25.8297 -6.52484 TIMING: 473400 CPU: 1556.74, 0.00315845/step Wall: 1556.74, 0.00315845/step, 3.9714 hours remaining, 231.640625 MB of memory in use. ENERGY: 473400 4011.9656 20517.7845 14447.3556 248.3507 -203138.2658 2179.5728 0.0000 0.0000 51827.5209 -109905.7156 297.8535 -161733.2364 -109548.6236 298.6572 -162.2349 -134.6842 761535.1226 0.6906 0.8312 PRESSURE: 473600 -30.0874 65.7145 226.437 65.7145 -279.272 61.4501 226.437 61.451 -114.08 GPRESSURE: 473600 27.9738 127.034 102.345 -13.2302 -220.411 64.8655 128.573 -57.0555 -134.887 PRESSAVG: 473600 50.4875 -90.4123 -12.5609 -90.4124 -21.7982 -20.567 -12.5609 -20.5671 24.9099 GPRESSAVG: 473600 52.7198 -89.7956 -13.2088 -91.9508 -22.9193 -19.9226 -15.7292 -21.7837 23.9811 TIMING: 473600 CPU: 1557.37, 0.00313062/step Wall: 1557.37, 0.00313062/step, 3.93623 hours remaining, 231.640625 MB of memory in use. ENERGY: 473600 3996.5076 20493.5882 14504.5191 239.1153 -203181.0179 2249.2535 0.0000 0.0000 51888.7986 -109809.2357 298.2056 -161698.0343 -109452.5614 298.5898 -141.1466 -109.1079 760384.1933 17.8664 17.9272 PRESSURE: 473800 -54.7831 9.19888 50.0847 9.19885 146.567 8.41128 50.0839 8.41125 -3.9503 GPRESSURE: 473800 -61.2676 33.1112 41.9698 60.1197 200.228 22.8994 -21.3652 -49.9613 29.1971 PRESSAVG: 473800 -14.263 -60.2165 -10.8829 -60.2165 22.5623 7.57443 -10.883 7.57448 13.2279 GPRESSAVG: 473800 -16.1969 -61.9965 -11.2192 -59.042 22.8737 8.40667 -9.46191 7.5395 15.1756 TIMING: 473800 CPU: 1558, 0.00313757/step Wall: 1558, 0.00313757/step, 3.9448 hours remaining, 231.640625 MB of memory in use. ENERGY: 473800 3968.0549 20446.8111 14527.7504 230.7731 -203769.4479 2592.4330 0.0000 0.0000 52095.3507 -109908.2747 299.3927 -162003.6254 -109548.2609 298.6433 29.2780 56.0527 760861.6319 7.1757 7.2842 PRESSURE: 474000 -216.887 -120.673 -181.53 -120.673 -151.422 -51.9318 -181.529 -51.932 420.335 GPRESSURE: 474000 -131.752 -44.9521 -193.867 -134.495 -98.415 -30.3595 -125.955 -105.974 374.684 PRESSAVG: 474000 -83.2286 -65.0714 -26.2846 -65.0714 50.7044 56.1194 -26.2846 56.1194 3.16251 GPRESSAVG: 474000 -82.3893 -64.6208 -24.868 -64.9606 50.6148 55.141 -26.4018 54.5942 2.70946 TIMING: 474000 CPU: 1558.63, 0.00315753/step Wall: 1558.63, 0.00315753/step, 3.96971 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 474000 3941.8073 20502.2175 14441.7945 250.7885 -203279.7243 2288.9536 0.0000 0.0000 51847.6831 -110006.4799 297.9693 -161854.1630 -109636.7074 299.0143 17.3419 48.1724 758672.4046 -9.7872 -9.6884 PRESSURE: 474200 20.903 32.36 -113.753 32.3594 -47.5952 129.071 -113.754 129.071 -255.53 GPRESSURE: 474200 28.9616 -74.0411 -166.776 -27.1154 -26.7671 197.557 -79.3702 99.9534 -208.959 PRESSAVG: 474200 -12.8731 -84.8718 11.2075 -84.8718 27.6066 -57.1548 11.2075 -57.1548 -1.92354 GPRESSAVG: 474200 -12.9017 -83.6288 9.80807 -87.4391 27.1932 -56.7369 10.3477 -58.2444 -1.21818 TIMING: 474200 CPU: 1559.26, 0.00316346/step Wall: 1559.26, 0.00316346/step, 3.97699 hours remaining, 231.875000 MB of memory in use. ENERGY: 474200 3953.2382 20417.2739 14510.5327 248.8024 -203421.1093 2631.2071 0.0000 0.0000 51962.2789 -109697.7762 298.6279 -161660.0551 -109331.8163 298.9209 -94.0742 -68.9217 762815.5260 4.2700 4.3578 PRESSURE: 474400 17.2455 -106.819 158.516 -106.818 252.142 -12.5061 158.516 -12.5067 -101.575 GPRESSURE: 474400 -6.34208 -152.448 163.067 -29.4462 338.774 40.0913 78.5774 41.5574 -104.232 PRESSAVG: 474400 28.0712 -80.5023 15.8281 -80.5023 -67.3022 -3.37487 15.8281 -3.37491 10.9374 GPRESSAVG: 474400 28.3486 -81.456 17.0694 -79.0746 -66.808 -3.82132 17.4514 -2.50407 10.3054 TIMING: 474400 CPU: 1559.89, 0.00314087/step Wall: 1559.89, 0.00314087/step, 3.94842 hours remaining, 231.875000 MB of memory in use. ENERGY: 474400 4009.7204 20486.0537 14515.5860 259.8756 -203157.4032 2613.1803 0.0000 0.0000 51642.6838 -109630.3033 296.7912 -161272.9872 -109267.7593 298.7972 55.9374 76.0664 761471.3143 -9.4312 -9.3847 PRESSURE: 474600 82.87 36.5826 -138.207 36.5823 -283.097 52.8067 -138.207 52.8063 87.1268 GPRESSURE: 474600 101.438 99.9698 -33.184 34.7093 -159.665 65.9281 3.16331 78.0911 12.6248 PRESSAVG: 474600 39.7814 -33.7084 44.8196 -33.7084 -25.9867 -15.5828 44.8196 -15.5829 0.865507 GPRESSAVG: 474600 39.0907 -35.3108 44.757 -32.9122 -24.5892 -15.2001 45.7521 -16.6935 0.0222906 TIMING: 474600 CPU: 1560.52, 0.00313348/step Wall: 1560.52, 0.00313348/step, 3.93896 hours remaining, 232.078125 MB of memory in use. ENERGY: 474600 3988.1655 20582.2075 14508.6520 249.1217 -203678.6816 2779.7766 0.0000 0.0000 51818.4647 -109752.2937 297.8014 -161570.7584 -109402.8589 299.0723 -37.7000 -15.2007 761060.2560 4.8867 4.8413 PRESSURE: 474800 -287.28 -139.247 -103.592 -139.246 -37.8275 28.851 -103.593 28.8519 -166.082 GPRESSURE: 474800 -203.269 -206.123 -148.379 -144.569 -35.1484 55.1829 -174.775 34.9155 -183.284 PRESSAVG: 474800 30.0293 -4.5987 -10.2718 -4.59871 -22.1092 -26.1195 -10.2718 -26.1195 5.12852 GPRESSAVG: 474800 29.7374 -3.27162 -11.5939 -4.62102 -23.2962 -26.9622 -11.4732 -23.55 6.4427 TIMING: 474800 CPU: 1561.14, 0.00313525/step Wall: 1561.14, 0.00313525/step, 3.941 hours remaining, 232.078125 MB of memory in use. ENERGY: 474800 3961.0817 20348.0663 14550.0963 257.6207 -203375.9924 2549.3919 0.0000 0.0000 51948.7831 -109760.9524 298.5504 -161709.7355 -109393.7301 298.7135 -163.7298 -140.5671 762555.2406 4.3496 4.2947 PRESSURE: 475000 249.896 87.3252 134.975 87.3245 -10.0451 -43.9043 134.975 -43.9039 263.907 GPRESSURE: 475000 271.16 -10.8527 77.393 130.706 46.8145 -89.9553 125.073 -104.809 269.431 PRESSAVG: 475000 12.9636 -27.1477 1.30833 -27.1476 12.8076 23.7127 1.3084 23.7128 18.4534 GPRESSAVG: 475000 13.3666 -28.3256 1.43136 -26.2806 13.6321 25.7965 0.532158 23.174 17.5844 TIMING: 475000 CPU: 1561.77, 0.00312501/step Wall: 1561.77, 0.00312501/step, 3.92797 hours remaining, 232.078125 MB of memory in use. ENERGY: 475000 3978.2410 20409.0113 14543.9882 243.2977 -203496.2147 2663.3925 0.0000 0.0000 52070.3943 -109587.8898 299.2493 -161658.2840 -109226.9984 299.0193 167.9194 195.8016 761206.6126 14.7415 14.8611 PRESSURE: 475200 -5.98664 57.9053 228.362 57.905 210.652 196.967 228.362 196.967 37.2972 GPRESSURE: 475200 8.98021 -109.295 262.39 104.199 259.139 295.381 295.259 79.2053 30.4968 PRESSAVG: 475200 -27.9123 -4.23176 -32.7465 -4.23174 28.4471 -42.7023 -32.7465 -42.7024 -6.02423 GPRESSAVG: 475200 -28.3344 -1.3186 -31.4869 -4.12862 27.4405 -43.5939 -31.3317 -42.404 -5.3104 TIMING: 475200 CPU: 1562.4, 0.00312977/step Wall: 1562.4, 0.00312977/step, 3.93377 hours remaining, 232.078125 MB of memory in use. ENERGY: 475200 3973.5931 20638.3928 14437.7604 256.0549 -203653.8665 2722.2383 0.0000 0.0000 52106.9252 -109518.9019 299.4592 -161625.8271 -109147.7611 299.8124 80.6541 99.5386 760030.8658 -1.8298 -2.0681 PRESSURE: 475400 -389.147 143.894 -48.08 143.894 64.7563 -159.293 -48.0804 -159.293 -342.271 GPRESSURE: 475400 -313.867 152.681 -89.0045 7.87254 82.3643 -142.715 -100.484 -215.06 -353.315 PRESSAVG: 475400 -48.6267 0.422133 -45.3006 0.422047 56.4294 -44.3472 -45.3006 -44.3472 4.78116 GPRESSAVG: 475400 -47.3231 -1.18101 -45.9124 1.60522 55.3346 -45.0654 -46.4126 -45.7513 4.41765 TIMING: 475400 CPU: 1563.02, 0.00313235/step Wall: 1563.02, 0.00313235/step, 3.93685 hours remaining, 232.078125 MB of memory in use. ENERGY: 475400 4006.7922 20490.6645 14495.4385 249.1901 -203062.4449 2153.8993 0.0000 0.0000 52022.8470 -109643.6133 298.9760 -161666.4603 -109277.2596 299.5987 -222.2205 -194.9391 760473.0721 4.1946 4.1430 PRESSURE: 475600 -66.903 57.92 -48.723 57.9187 -406.33 -151.843 -48.7231 -151.842 -367.693 GPRESSURE: 475600 12.3032 228.237 -105.784 114.859 -367.711 -111.661 -73.3694 -155.208 -379.702 PRESSAVG: 475600 -17.0824 26.4938 11.3947 26.4938 41.3338 -21.9736 11.3947 -21.9737 4.38116 GPRESSAVG: 475600 -18.84 28.3688 10.8274 22.8595 42.7388 -22.8975 11.4708 -19.8216 4.30088 TIMING: 475600 CPU: 1563.65, 0.00312534/step Wall: 1563.65, 0.00312534/step, 3.92786 hours remaining, 232.078125 MB of memory in use. ENERGY: 475600 3936.5039 20536.3855 14439.8739 242.5587 -203014.1605 2182.1472 0.0000 0.0000 52025.5512 -109651.1402 298.9916 -161676.6914 -109295.0039 299.3861 -280.3086 -245.0365 760757.5933 9.5442 9.3999 PRESSURE: 475800 -165.334 33.766 67.0725 33.766 -212.213 127.802 67.0729 127.803 -396.146 GPRESSURE: 475800 -174.927 59.6385 19.347 2.77113 -58.5492 149.177 -13.9532 181.76 -438.783 PRESSAVG: 475800 16.1593 18.9206 30.9843 18.9206 -6.84166 40.9505 30.9844 40.9506 22.3433 GPRESSAVG: 475800 16.4848 17.9288 29.4969 18.9686 -6.55247 42.8282 29.99 39.2594 22.1294 TIMING: 475800 CPU: 1564.28, 0.00314136/step Wall: 1564.28, 0.00314136/step, 3.94782 hours remaining, 232.078125 MB of memory in use. ENERGY: 475800 4028.8195 20279.2162 14533.9427 246.6657 -203396.3500 2349.3606 0.0000 0.0000 52427.8385 -109530.5068 301.3035 -161958.3453 -109167.7845 299.3643 -257.8981 -224.0864 760109.5038 10.5536 10.6872 PRESSURE: 476000 -107.683 36.4521 277.585 36.4518 122.821 -116.6 277.585 -116.601 -132.693 GPRESSURE: 476000 -95.1278 88.8814 357.414 73.5195 98.6725 -196.167 143.548 31.5327 -55.6115 PRESSAVG: 476000 -57.3427 -25.9408 27.5854 -25.9408 42.8069 14.6571 27.5853 14.6571 24.0952 GPRESSAVG: 476000 -58.8545 -26.4017 29.0561 -22.7051 42.9996 12.639 27.7518 15.288 25.7133 TIMING: 476000 CPU: 1564.9, 0.00313188/step Wall: 1564.9, 0.00313188/step, 3.93572 hours remaining, 232.078125 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: 476000 3915.2441 20492.4135 14481.2885 259.4419 -203284.6314 2431.5658 0.0000 0.0000 52187.4783 -109517.1993 299.9222 -161704.6776 -109149.6929 299.4973 -39.1850 -17.3556 760880.1788 3.1865 3.2862 PRESSURE: 476200 -65.1192 44.8723 61.449 44.8734 -229.488 4.85466 61.4495 4.85537 -137.078 GPRESSURE: 476200 -0.849829 41.1207 160.486 41.7691 -164.215 -5.9899 185.721 39.2285 -187.206 PRESSAVG: 476200 -10.4368 5.01047 -8.06078 5.0105 -36.2205 -37.3163 -8.06081 -37.3162 1.71066 GPRESSAVG: 476200 -8.41553 4.10183 -10.3018 4.23592 -36.7197 -37.6342 -6.75758 -36.6345 0.41473 TIMING: 476200 CPU: 1565.53, 0.00313776/step Wall: 1565.53, 0.00313776/step, 3.94294 hours remaining, 232.078125 MB of memory in use. ENERGY: 476200 4005.7403 20621.6167 14367.6356 241.6858 -202527.9413 2014.9717 0.0000 0.0000 51894.1640 -109382.1272 298.2365 -161276.2911 -109015.3163 299.5697 -143.8952 -117.4234 761780.7022 -14.9822 -14.9068 LDB: ============= START OF LOAD BALANCING ============== 1577.95 LDB: ============== END OF LOAD BALANCING =============== 1577.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1577.95 LDB: ============= START OF LOAD BALANCING ============== 1578.26 LDB: Largest compute 7075 load 0.037008 is 19.0% of average load 0.195157 LDB: Average compute 0.004381 is 2.2% of average load 0.195157 LDB: TIME 1578.27 LOAD: AVG 0.195157 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.754 MB LDB: TIME 1578.27 LOAD: AVG 0.195157 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.934 MB LDB: TIME 1578.27 LOAD: AVG 0.195157 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.934 MB LDB: ============== END OF LOAD BALANCING =============== 1578.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1578.27 PRESSURE: 476400 -175.203 56.3621 -163.481 56.3625 -113.508 210.983 -163.48 210.983 97.8627 GPRESSURE: 476400 -83.8545 -55.3888 -195.049 -94.2097 -195.3 205.297 -75.3985 84.1147 163.423 PRESSAVG: 476400 30.8316 -11.0431 58.1125 -11.0431 -1.1968 -6.53085 58.1125 -6.53079 -4.99994 GPRESSAVG: 476400 29.4628 -10.3846 60.7249 -13.1961 -0.655321 -8.08861 59.1457 -6.78291 -3.7181 TIMING: 476400 CPU: 1566.17, 0.00318977/step Wall: 1566.17, 0.00318977/step, 4.00813 hours remaining, 231.292969 MB of memory in use. ENERGY: 476400 4032.6228 20774.0560 14449.5609 242.3350 -203388.3060 2395.7082 0.0000 0.0000 52065.6989 -109428.3241 299.2223 -161494.0230 -109068.1996 299.9312 -63.6161 -38.5770 759922.6795 8.2116 8.3631 PRESSURE: 476600 240.83 163.381 -75.7932 163.382 -102.521 31.575 -75.7932 31.5754 21.9315 GPRESSURE: 476600 300.667 -9.91017 -120.88 122.812 -81.8151 114.148 -97.2904 -46.9256 0.283108 PRESSAVG: 476600 10.6919 -2.80147 64.9652 -2.80146 -67.2412 39.4614 64.9652 39.4614 17.4861 GPRESSAVG: 476600 11.8797 -3.30481 65.2238 -1.88216 -67.8034 42.5167 63.0875 37.5061 16.7469 TIMING: 476600 CPU: 1566.8, 0.00314142/step Wall: 1566.8, 0.00314142/step, 3.94719 hours remaining, 231.496094 MB of memory in use. ENERGY: 476600 4082.0220 20533.5568 14487.6029 258.6800 -203316.3915 2496.7817 0.0000 0.0000 52084.2576 -109373.4905 299.3289 -161457.7481 -109025.8223 299.8806 53.4136 73.0451 759023.7580 -13.0211 -13.0589 PRESSURE: 476800 57.7643 128.557 276.845 128.557 161.135 109.06 276.844 109.061 145.322 GPRESSURE: 476800 106.996 211.605 268.462 73.6492 153.346 122.407 215.97 46.7486 197.759 PRESSAVG: 476800 -12.3705 0.389795 -69.3337 0.389788 -37.7025 -8.22159 -69.3337 -8.22156 -18.5865 GPRESSAVG: 476800 -13.287 0.308908 -70.8502 -0.132784 -37.5529 -9.59801 -68.0488 -7.32729 -17.4737 TIMING: 476800 CPU: 1567.42, 0.00313726/step Wall: 1567.42, 0.00313726/step, 3.9418 hours remaining, 231.496094 MB of memory in use. ENERGY: 476800 3974.6232 20620.6971 14452.0986 241.4013 -203418.5251 2733.3522 0.0000 0.0000 52059.9820 -109336.3707 299.1894 -161396.3527 -108973.9392 299.8443 121.4069 152.7004 759438.8681 -22.8865 -22.7712 PRESSURE: 477000 60.5987 -38.2332 55.5232 -38.2334 78.3907 -83.1296 55.5238 -83.1299 183.883 GPRESSURE: 477000 93.8908 -43.9146 64.7693 -0.361686 201.164 -8.01246 -61.0166 -120.489 123.09 PRESSAVG: 477000 -56.4353 21.2739 -15.1815 21.2739 16.8205 63.373 -15.1815 63.373 8.17966 GPRESSAVG: 477000 -55.8723 22.8284 -14.9322 20.5759 16.5473 63.6893 -16.4298 63.9672 7.99392 TIMING: 477000 CPU: 1568.05, 0.00313228/step Wall: 1568.05, 0.00313228/step, 3.93536 hours remaining, 231.496094 MB of memory in use. ENERGY: 477000 3950.3801 20679.4570 14387.0660 242.7957 -203061.7447 2354.1632 0.0000 0.0000 52148.2833 -109299.5994 299.6969 -161447.8827 -108938.8901 299.7772 107.6240 139.3817 760466.7226 -10.4784 -10.4437 PRESSURE: 477200 43.3828 -177.795 78.786 -177.796 246.49 -191.334 78.7858 -191.335 -173.238 GPRESSURE: 477200 13.2466 -178.878 65.5403 -72.0356 260.431 -282.938 101 -42.2321 -67.8432 PRESSAVG: 477200 35.5338 0.903829 -44.5564 0.903856 -35.6161 -23.7846 -44.5564 -23.7846 -25.7083 GPRESSAVG: 477200 35.7999 -1.1792 -43.9859 2.03647 -35.2771 -23.9346 -43.0341 -24.4206 -25.861 TIMING: 477200 CPU: 1568.68, 0.00312758/step Wall: 1568.68, 0.00312758/step, 3.92928 hours remaining, 231.496094 MB of memory in use. ENERGY: 477200 4002.8072 20491.4978 14375.2527 244.0585 -203161.2736 2544.8546 0.0000 0.0000 52374.4691 -109128.3337 300.9968 -161502.8028 -108755.6817 300.1349 38.8782 68.6113 759810.1663 -8.5969 -8.4461 PRESSURE: 477400 -34.0487 -31.8561 -33.8861 -31.8565 67.0159 -99.5223 -33.8861 -99.5213 266.306 GPRESSURE: 477400 24.4366 -45.2628 -12.3613 -79.987 143.385 -39.5744 -85.2045 -184.674 221.854 PRESSAVG: 477400 10.6098 -16.3675 38.1613 -16.3675 -10.4366 -23.531 38.1613 -23.531 41.2249 GPRESSAVG: 477400 11.8824 -15.7526 38.5362 -15.1022 -10.2059 -23.1666 38.1577 -21.8405 40.4056 TIMING: 477400 CPU: 1569.3, 0.00312489/step Wall: 1569.3, 0.00312489/step, 3.92573 hours remaining, 231.496094 MB of memory in use. ENERGY: 477400 4049.7235 20565.1711 14559.7368 264.0827 -203098.5780 2621.9568 0.0000 0.0000 52060.6707 -108977.2362 299.1934 -161037.9070 -108618.1240 300.4926 99.7576 129.8916 760872.6183 13.7994 14.0274 PRESSURE: 477600 127.078 -89.4484 -95.097 -89.4497 139.325 2.96889 -95.0973 2.96923 51.7467 GPRESSURE: 477600 131.801 -137.02 -72.6892 -179.418 185.713 -48.7587 -4.36624 9.63642 123.318 PRESSAVG: 477600 -14.86 -34.0091 96.9919 -34.0091 31.5716 -31.1648 96.9919 -31.1649 4.26134 GPRESSAVG: 477600 -15.5156 -33.8235 97.0936 -35.2163 32.8599 -31.7177 96.9207 -33.8764 3.56185 TIMING: 477600 CPU: 1569.93, 0.00313081/step Wall: 1569.93, 0.00313081/step, 3.933 hours remaining, 231.496094 MB of memory in use. ENERGY: 477600 4065.5367 20488.7756 14477.5803 234.4162 -203117.6022 2479.0621 0.0000 0.0000 52379.1105 -108993.1208 301.0235 -161372.2313 -108625.1495 300.1851 106.0498 146.9439 759503.6517 6.9910 6.9687 PRESSURE: 477800 -7.33128 -128.817 -143.92 -128.817 155.807 46.5186 -143.92 46.5181 130.178 GPRESSURE: 477800 -17.948 -107.342 -104.882 -106.239 259.615 74.6405 -142.598 -7.57397 116.099 PRESSAVG: 477800 29.9443 5.48569 -5.43803 5.48563 -11.4125 -4.87459 -5.43798 -4.8746 11.5685 GPRESSAVG: 477800 31.1489 7.52764 -6.40702 5.58908 -12.8785 -4.32897 -4.86306 -1.02546 11.3128 TIMING: 477800 CPU: 1570.55, 0.00314306/step Wall: 1570.55, 0.00314306/step, 3.9482 hours remaining, 231.496094 MB of memory in use. ENERGY: 477800 4003.5866 20624.1320 14433.6474 255.9290 -202930.4283 2514.7824 0.0000 0.0000 52294.0716 -108804.2793 300.5347 -161098.3509 -108447.4535 300.7558 92.8846 119.2555 761346.3347 10.0334 9.8611 PRESSURE: 478000 -105.489 -67.821 57.7647 -67.8211 -140.267 -26.3006 57.7657 -26.3007 -109.592 GPRESSURE: 478000 16.1206 -66.3878 14.4512 -22.9303 -209.523 53.2173 37.4277 -88.3232 -77.6978 PRESSAVG: 478000 59.6474 -26.5705 4.21476 -26.5705 -51.7985 4.75468 4.21476 4.75462 -4.23283 GPRESSAVG: 478000 59.1382 -28.4722 5.00526 -25.4993 -52.1964 6.62562 2.36931 0.296658 -3.03141 TIMING: 478000 CPU: 1571.18, 0.00312515/step Wall: 1571.18, 0.00312515/step, 3.92554 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 478000 4031.0648 20589.6365 14466.0701 231.1371 -203093.6860 2340.3811 0.0000 0.0000 52417.8781 -109017.5183 301.2463 -161435.3964 -108656.8450 300.7400 -118.4489 -90.3668 759443.6011 1.2054 1.3035 PRESSURE: 478200 511.152 -99.2449 -276.435 -99.2441 -148.899 -117.656 -276.435 -117.656 277.133 GPRESSURE: 478200 412.23 -104.721 -173.818 -53.8297 -44.1052 -121.36 -97.6719 -67.3406 344.036 PRESSAVG: 478200 51.6435 -31.5377 27.5692 -31.5376 -24.28 12.3964 27.5692 12.3964 0.420002 GPRESSAVG: 478200 50.3156 -31.9413 28.5466 -32.0897 -23.4831 10.7311 27.1869 14.8958 0.440742 TIMING: 478200 CPU: 1571.8, 0.00312041/step Wall: 1571.8, 0.00312041/step, 3.9194 hours remaining, 231.496094 MB of memory in use. ENERGY: 478200 3964.5369 20460.0681 14473.6089 249.3608 -203101.8209 2573.0918 0.0000 0.0000 52455.3755 -108925.7789 301.4618 -161381.1544 -108555.6873 300.5576 213.1284 237.3870 760262.7242 9.2612 9.0911 PRESSURE: 478400 -221.041 -3.31871 2.20342 -3.3186 220.478 59.8743 2.20311 59.8734 -63.4236 GPRESSURE: 478400 -143.466 -71.0337 11.5129 41.3054 213.816 66.1627 80.2493 -22.9471 -19.3075 PRESSAVG: 478400 -20.9831 6.56895 48.3306 6.56898 11.4528 18.3131 48.3306 18.313 9.92466 GPRESSAVG: 478400 -21.3584 8.54066 48.4813 4.95053 12.3347 18.5797 49.0176 18.4584 10.5083 TIMING: 478400 CPU: 1572.43, 0.00313145/step Wall: 1572.43, 0.00313145/step, 3.9331 hours remaining, 231.496094 MB of memory in use. ENERGY: 478400 3922.1131 20559.5609 14503.2842 261.2301 -203219.3005 2564.8947 0.0000 0.0000 52363.7671 -109044.4503 300.9353 -161408.2174 -108668.4145 300.5201 -21.3289 17.0140 759772.6855 0.1315 0.4949 PRESSURE: 478600 51.0095 68.3019 195.131 68.3007 -114.405 253.581 195.13 253.581 199.675 GPRESSURE: 478600 186.676 5.30114 171.351 -41.7857 -196.09 335.994 163.306 106.811 226.661 PRESSAVG: 478600 28.9975 -74.4072 48.4683 -74.4071 2.69065 -8.62801 48.4683 -8.62801 1.3535 GPRESSAVG: 478600 28.6658 -73.8685 47.6786 -75.0068 2.86865 -11.7746 49.5832 -7.64285 0.437563 TIMING: 478600 CPU: 1573.06, 0.00314473/step Wall: 1573.06, 0.00314473/step, 3.94961 hours remaining, 231.496094 MB of memory in use. ENERGY: 478600 3950.3224 20463.2305 14489.1930 243.5367 -203041.6571 2183.0441 0.0000 0.0000 52450.9943 -109261.3361 301.4366 -161712.3304 -108898.2461 299.9621 45.4262 72.4157 761210.2079 11.0139 10.6573 PRESSURE: 478800 331.557 -15.3926 47.6353 -15.3933 99.2867 -51.2266 47.6356 -51.2247 239.888 GPRESSURE: 478800 340.019 -19.6008 154.873 14.1207 229.094 66.2574 96.7013 -173.822 175.593 PRESSAVG: 478800 17.0575 10.8238 9.62485 10.8238 45.2563 -54.8934 9.62486 -54.8934 4.70454 GPRESSAVG: 478800 18.7235 8.13825 10.7955 12.7664 44.3739 -53.4309 7.07509 -53.8993 3.64123 TIMING: 478800 CPU: 1573.69, 0.00314929/step Wall: 1573.69, 0.00314929/step, 3.95516 hours remaining, 231.496094 MB of memory in use. ENERGY: 478800 3978.8264 20642.5377 14484.2130 246.8867 -203442.2579 2867.8937 0.0000 0.0000 52053.6078 -109168.2925 299.1528 -161221.9003 -108817.8061 300.0059 223.5774 248.2354 759282.4349 22.3394 22.2462 PRESSURE: 479000 -216.445 -224.675 -85.8075 -224.675 -20.4105 95.3074 -85.8064 95.307 -41.7132 GPRESSURE: 479000 -188.744 -112.207 -159.773 -221.438 -17.7719 135.402 16.662 68.7475 1.26897 PRESSAVG: 479000 11.9357 -54.4891 31.95 -54.4891 -3.09751 -0.688647 31.95 -0.688683 6.31982 GPRESSAVG: 479000 11.1529 -52.3001 31.1154 -55.6047 -3.64644 1.03791 32.3256 -1.86252 7.7418 TIMING: 479000 CPU: 1574.32, 0.00315587/step Wall: 1574.32, 0.00315587/step, 3.96325 hours remaining, 231.496094 MB of memory in use. ENERGY: 479000 3907.7110 20611.8148 14551.7189 258.9222 -202633.5522 2090.6297 0.0000 0.0000 52123.0005 -109089.7551 299.5516 -161212.7557 -108722.4493 300.1953 -92.8562 -68.4157 761894.1473 5.0527 5.0828 PRESSURE: 479200 212.554 28.8046 37.5124 28.8058 173.031 -77.3995 37.5123 -77.3998 115.014 GPRESSURE: 479200 285.464 45.0612 47.2911 84.7573 145.998 -34.4196 9.40074 -115.493 139.528 PRESSAVG: 479200 22.8722 -44.8657 15.4541 -44.8658 -2.21303 -13.9943 15.4541 -13.9942 4.97149 GPRESSAVG: 479200 22.4478 -44.1945 16.2779 -43.5427 -1.15389 -16.963 15.7978 -14.9403 4.50029 TIMING: 479200 CPU: 1574.95, 0.00312652/step Wall: 1574.95, 0.00312652/step, 3.92621 hours remaining, 231.496094 MB of memory in use. ENERGY: 479200 3951.5390 20639.5922 14545.1999 247.2415 -203183.4239 2654.2933 0.0000 0.0000 52042.3165 -109103.2414 299.0879 -161145.5580 -108741.4814 299.9479 166.8666 190.3299 761206.0234 8.5436 8.5981 PRESSURE: 479400 220.199 102.723 -93.9732 102.723 198.053 -123.715 -93.9735 -123.716 175.217 GPRESSURE: 479400 236.729 130.039 -157.192 91.2819 267.691 -164.181 -74.0734 -84.3877 170.649 PRESSAVG: 479400 26.5005 58.2697 -6.23504 58.2696 75.0569 24.8864 -6.23498 24.8864 -19.5237 GPRESSAVG: 479400 26.7595 57.3894 -7.00678 56.9084 75.2432 26.4879 -4.92116 25.1667 -19.6101 TIMING: 479400 CPU: 1575.57, 0.00311818/step Wall: 1575.57, 0.00311818/step, 3.91557 hours remaining, 231.496094 MB of memory in use. ENERGY: 479400 4017.1962 20687.0756 14456.1288 267.1439 -203794.0356 2814.1857 0.0000 0.0000 52483.8035 -109068.5017 301.6251 -161552.3053 -108706.8289 300.1793 197.8231 225.0231 758927.5392 27.3445 27.4642 PRESSURE: 479600 -480.221 -40.8975 147.459 -40.898 199.091 202.906 147.459 202.907 418.862 GPRESSURE: 479600 -320.924 -122.316 112.543 -54.2809 221.715 84.817 -39.8149 345.37 342.104 PRESSAVG: 479600 -3.36318 29.0237 8.65432 29.0238 -8.75352 25.1228 8.65423 25.1228 2.75567 GPRESSAVG: 479600 -2.86732 27.1759 7.96122 30.0498 -8.88244 24.2592 7.76205 26.6981 2.67385 TIMING: 479600 CPU: 1576.19, 0.0031287/step Wall: 1576.19, 0.0031287/step, 3.9286 hours remaining, 231.496094 MB of memory in use. ENERGY: 479600 3935.9187 20687.3611 14456.1088 230.2599 -203028.3491 2363.4856 0.0000 0.0000 52305.2569 -109049.9581 300.5990 -161355.2150 -108687.1590 300.6786 45.9105 80.9651 760708.7043 -3.1203 -3.0253 PRESSURE: 479800 -146.978 -135.889 30.4827 -135.887 -130.941 -75.1968 30.4823 -75.1965 -193.818 GPRESSURE: 479800 -65.7652 -85.0782 83.2388 -55.9897 -60.0693 -28.1454 117.103 -53.9237 -247.155 PRESSAVG: 479800 -4.93496 -18.5485 -22.9895 -18.5484 46.32 56.073 -22.9895 56.0729 -6.24433 GPRESSAVG: 479800 -3.49519 -16.0547 -21.6728 -21.0205 45.2714 57.9464 -24.3214 54.6499 -6.48259 TIMING: 479800 CPU: 1576.82, 0.00312235/step Wall: 1576.82, 0.00312235/step, 3.92045 hours remaining, 231.496094 MB of memory in use. ENERGY: 479800 4022.5440 20630.2511 14539.0177 240.2849 -203405.1734 2576.3264 0.0000 0.0000 52232.2287 -109164.5207 300.1793 -161396.7493 -108797.3090 300.3374 -157.2456 -124.3298 759653.6183 11.7136 11.7645 PRESSURE: 480000 206.406 91.98 -76.1871 91.9807 86.7564 -27.0465 -76.1864 -27.0462 84.7423 GPRESSURE: 480000 200.564 41.4135 -140.69 67.4342 162.383 -88.9475 -23.5683 58.4742 97.41 PRESSAVG: 480000 -23.9539 -23.2895 22.1894 -23.2895 51.3367 -4.37422 22.1894 -4.37426 -3.63875 GPRESSAVG: 480000 -26.7525 -25.3904 21.8451 -21.559 52.3765 -6.42732 24.6895 -1.61229 -2.69163 TIMING: 480000 CPU: 1577.45, 0.00312893/step Wall: 1577.45, 0.00312893/step, 3.92854 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 480000 4014.5759 20475.6859 14502.8714 253.9446 -203303.6579 2490.0606 0.0000 0.0000 52469.1834 -109097.3360 301.5411 -161566.5194 -108723.4646 300.4564 125.9683 153.4523 759108.9766 7.9147 7.6441 PRESSURE: 480200 179.757 -92.9545 190.959 -92.9546 -220.021 148.403 190.958 148.403 -136.779 GPRESSURE: 480200 260.261 -7.15915 278.316 -183.305 -132.807 133.901 74.3139 94.7743 -218.343 PRESSAVG: 480200 -8.1202 -51.2945 -20.1686 -51.2945 14.7187 75.8763 -20.1685 75.8762 -14.6404 GPRESSAVG: 480200 -6.23001 -48.1936 -18.5474 -52.6206 12.7391 75.7923 -23.1831 73.605 -15.1485 TIMING: 480200 CPU: 1578.07, 0.00313517/step Wall: 1578.07, 0.00313517/step, 3.93621 hours remaining, 231.496094 MB of memory in use. ENERGY: 480200 4076.7839 20805.5180 14510.9331 267.0401 -203274.4401 2346.9815 0.0000 0.0000 52078.2137 -109188.9698 299.2942 -161267.1835 -108837.7837 300.0947 -59.0144 -30.2962 760394.6547 -2.6807 -2.8798 LDB: ============= START OF LOAD BALANCING ============== 1590.49 LDB: ============== END OF LOAD BALANCING =============== 1590.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1590.49 LDB: ============= START OF LOAD BALANCING ============== 1590.81 LDB: Largest compute 7049 load 0.035352 is 18.1% of average load 0.195201 LDB: Average compute 0.004377 is 2.2% of average load 0.195201 LDB: TIME 1590.81 LOAD: AVG 0.195201 MAX 0.213164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.555 MB LDB: TIME 1590.81 LOAD: AVG 0.195201 MAX 0.213164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.555 MB LDB: TIME 1590.81 LOAD: AVG 0.195201 MAX 0.213164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.555 MB LDB: ============== END OF LOAD BALANCING =============== 1590.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1590.82 PRESSURE: 480400 -47.0687 25.0492 54.4484 25.0493 163.613 -52.1743 54.448 -52.175 126.861 GPRESSURE: 480400 58.5959 -104.889 164.521 53.476 201.819 -63.5578 78.6369 -11.5557 61.9094 PRESSAVG: 480400 -25.2777 -79.4759 58.9124 -79.476 34.6165 -37.941 58.9125 -37.941 -30.4284 GPRESSAVG: 480400 -25.9349 -80.5817 57.5385 -79.9643 35.117 -36.0852 61.4151 -38.9184 -30.3172 TIMING: 480400 CPU: 1578.71, 0.00321259/step Wall: 1578.71, 0.00321259/step, 4.03322 hours remaining, 231.320312 MB of memory in use. ENERGY: 480400 4065.5391 20583.8789 14442.2544 246.3157 -203682.1975 2725.0599 0.0000 0.0000 52274.5174 -109344.6321 300.4224 -161619.1495 -108978.9356 300.2709 81.1352 107.4414 760754.8424 -7.0299 -7.0450 PRESSURE: 480600 -147.887 70.7885 139.066 70.7886 94.5724 -19.459 139.066 -19.4585 -21.1113 GPRESSURE: 480600 -146.333 113.258 51.3793 -9.73353 99.9437 -17.9496 140.404 35.39 69.466 PRESSAVG: 480600 -23.8673 -48.0836 -10.4548 -48.0836 6.88479 14.353 -10.4547 14.353 -11.9851 GPRESSAVG: 480600 -23.9265 -48.4165 -10.862 -46.6927 6.98327 13.2042 -11.9852 17.1217 -12.0736 TIMING: 480600 CPU: 1579.34, 0.00312297/step Wall: 1579.34, 0.00312297/step, 3.92054 hours remaining, 231.320312 MB of memory in use. ENERGY: 480600 4012.3134 20508.8655 14569.5833 264.1204 -203138.7632 2325.8077 0.0000 0.0000 52282.9203 -109175.1526 300.4707 -161458.0729 -108805.1972 300.7172 -24.8088 7.6922 761853.9095 -9.6559 -9.6723 PRESSURE: 480800 593.986 -139.168 -99.0057 -139.168 283.769 -81.3945 -99.0055 -81.3937 180.048 GPRESSURE: 480800 560.715 16.3265 -45.3642 -223.829 325.456 -92.7441 -182.573 -77.7354 251.717 PRESSAVG: 480800 -23.8942 -63.4361 14.8628 -63.4361 4.07627 6.03627 14.8628 6.03621 7.24182 GPRESSAVG: 480800 -25.187 -63.6892 14.3916 -63.1864 4.76219 5.77386 16.0615 3.46507 7.83435 TIMING: 480800 CPU: 1579.97, 0.00313838/step Wall: 1579.97, 0.00313838/step, 3.93971 hours remaining, 231.320312 MB of memory in use. ENERGY: 480800 3988.1637 20678.4246 14496.9376 242.7223 -203321.3192 2523.4438 0.0000 0.0000 52249.1460 -109142.4813 300.2766 -161391.6273 -108781.3220 300.6779 352.6012 379.2958 759334.3438 -4.1920 -4.1968 PRESSURE: 481000 -21.5756 168.6 25.0284 168.599 -153.042 -7.75921 25.0281 -7.75898 -124.953 GPRESSURE: 481000 -37.2383 132.112 153.949 162.041 -77.0562 -48.9455 124.14 -18.0819 -92.3475 PRESSAVG: 481000 8.38032 -95.5327 26.737 -95.5327 17.6735 7.31864 26.7369 7.31863 0.629269 GPRESSAVG: 481000 8.18667 -95.231 26.2099 -95.3754 18.2191 7.59243 26.5434 8.20277 0.480564 TIMING: 481000 CPU: 1580.59, 0.00311694/step Wall: 1580.59, 0.00311694/step, 3.91262 hours remaining, 231.320312 MB of memory in use. ENERGY: 481000 4080.8009 20576.1842 14461.2153 249.2698 -203553.9855 2624.9307 0.0000 0.0000 52526.8801 -109034.7045 301.8727 -161561.5846 -108654.3468 300.6109 -99.8569 -68.8807 759491.2553 8.8944 8.9621 PRESSURE: 481200 -477.299 13.9032 228.703 13.9038 -89.7662 81.3266 228.703 81.3271 187.026 GPRESSURE: 481200 -304.13 -3.40889 287.504 13.2015 -154.454 95.209 271.424 44.3882 169.932 PRESSAVG: 481200 14.4643 -19.0287 12.1516 -19.0287 0.71503 52.6894 12.1516 52.6894 -0.788166 GPRESSAVG: 481200 16.2503 -18.7877 12.7409 -19.8402 0.0829377 53.8798 12.5678 52.0316 -1.71709 TIMING: 481200 CPU: 1581.22, 0.00313042/step Wall: 1581.22, 0.00313042/step, 3.92937 hours remaining, 231.320312 MB of memory in use. ENERGY: 481200 3948.5640 20636.4847 14453.1161 247.2990 -203031.1672 2081.4034 0.0000 0.0000 52390.1949 -109274.1051 301.0872 -161664.3001 -108903.7499 300.7092 -126.6798 -96.2172 761213.2958 4.7971 4.8721 PRESSURE: 481400 -292.144 -172.142 99.4678 -172.142 -206.289 -17.2483 99.4678 -17.2477 145.47 GPRESSURE: 481400 -277.595 -265.8 108.605 -182.818 -217.424 64.5513 -61.6865 -153.671 261.885 PRESSAVG: 481400 57.2963 -57.0764 -33.6336 -57.0764 -73.0394 11.4163 -33.6335 11.4163 -8.87499 GPRESSAVG: 481400 56.7302 -57.7501 -32.6169 -56.4027 -73.3634 13.2744 -35.5119 9.80036 -8.0346 TIMING: 481400 CPU: 1581.85, 0.00314947/step Wall: 1581.85, 0.00314947/step, 3.95311 hours remaining, 231.320312 MB of memory in use. ENERGY: 481400 3958.5843 20753.8035 14406.4827 245.6577 -203629.2869 2429.7715 0.0000 0.0000 52491.6343 -109343.3530 301.6701 -161834.9873 -108977.5226 300.2540 -117.6546 -77.7111 759504.3975 -8.2060 -8.2226 PRESSURE: 481600 385.197 -10.8937 -27.2455 -10.893 182.472 11.9803 -27.2458 11.9805 816.859 GPRESSURE: 481600 460.757 -19.6552 35.7475 -92.7695 234.338 -0.513994 -26.0621 28.6384 795.544 PRESSAVG: 481600 2.44551 -71.0044 -3.09006 -71.0044 -0.838181 -22.1333 -3.09006 -22.1333 3.18626 GPRESSAVG: 481600 1.11529 -71.649 -2.76754 -69.7041 0.273035 -24.7947 -3.92973 -20.3633 3.21064 TIMING: 481600 CPU: 1582.47, 0.00313959/step Wall: 1582.47, 0.00313959/step, 3.94054 hours remaining, 231.320312 MB of memory in use. ENERGY: 481600 4000.4218 20563.2189 14402.1466 230.6251 -203865.9921 2974.7809 0.0000 0.0000 52370.8358 -109323.9631 300.9759 -161694.7989 -108956.3722 300.3969 461.5094 496.8797 759908.4165 1.5979 1.5330 PRESSURE: 481800 139.974 -191.567 -16.3364 -191.567 347.964 167.825 -16.3361 167.825 186.442 GPRESSURE: 481800 229.933 -169.956 -58.5494 -166.613 295.546 147.042 -39.8135 165.841 239.238 PRESSAVG: 481800 45.4137 -39.214 2.34326 -39.2139 28.9047 -6.5494 2.34325 -6.54932 7.74631 GPRESSAVG: 481800 47.1688 -39.4017 1.49127 -38.2568 28.3213 -3.71713 5.41363 -6.17831 6.4832 TIMING: 481800 CPU: 1583.1, 0.00313497/step Wall: 1583.1, 0.00313497/step, 3.93457 hours remaining, 231.320312 MB of memory in use. ENERGY: 481800 4051.2802 20606.0501 14478.5311 251.1539 -203269.1520 2356.0954 0.0000 0.0000 52243.6250 -109282.4164 300.2448 -161526.0414 -108921.1056 300.2177 224.7936 254.9053 759994.9840 27.3549 27.3244 PRESSURE: 482000 -238.29 32.799 -55.2342 32.7993 64.1783 -157.996 -55.2337 -157.995 285.981 GPRESSURE: 482000 -194.556 90.1344 -135.627 -10.4127 120.361 -244.963 -4.11685 -141.514 273.468 PRESSAVG: 482000 -18.985 -47.6704 13.2146 -47.6703 33.0316 32.8575 13.2147 32.8575 -0.265074 GPRESSAVG: 482000 -19.9973 -46.0187 11.6647 -50.1996 32.2084 30.294 13.6168 35.1419 1.30055 TIMING: 482000 CPU: 1583.73, 0.00315301/step Wall: 1583.73, 0.00315301/step, 3.95702 hours remaining, 231.320312 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: 482000 3993.9355 20635.3431 14448.2860 236.4042 -203229.8810 2348.0262 0.0000 0.0000 52288.3707 -109279.5154 300.5020 -161567.8860 -108922.1221 299.9676 37.2896 66.4240 760667.5136 4.5938 4.5039 PRESSURE: 482200 -9.10755 116.018 37.8065 116.018 -124.608 98.2725 37.8062 98.273 -215.957 GPRESSURE: 482200 -39.7134 173.776 33.7264 183.377 -26.3516 64.5929 67.9418 181.362 -183.037 PRESSAVG: 482200 -13.6037 -12.7437 -4.18538 -12.7436 5.03619 -1.60859 -4.18537 -1.60858 -14.2498 GPRESSAVG: 482200 -14.7967 -14.4631 -2.83365 -9.59953 7.02462 -1.6722 -4.28215 -3.75287 -15.5607 TIMING: 482200 CPU: 1584.36, 0.00312596/step Wall: 1584.36, 0.00312595/step, 3.9229 hours remaining, 231.320312 MB of memory in use. ENERGY: 482200 4045.2827 20704.4548 14448.2401 241.6795 -203340.7803 2483.1258 0.0000 0.0000 51975.5554 -109442.4420 298.7042 -161417.9975 -109079.4699 299.4698 -116.5576 -83.0338 760972.8842 -7.6058 -7.7776 PRESSURE: 482400 -199.3 62.444 -36.5531 62.4436 -223.508 -145.179 -36.5534 -145.18 -137.175 GPRESSURE: 482400 -191.543 -96.8808 -167.244 72.5334 -205.172 -133.005 -118.108 -181.637 -67.1115 PRESSAVG: 482400 24.4163 -19.699 -30.7454 -19.6991 -18.4365 40.2747 -30.7454 40.2747 -6.92535 GPRESSAVG: 482400 26.9446 -19.2815 -32.6334 -23.2016 -20.5472 40.0347 -30.7062 39.8008 -7.0938 TIMING: 482400 CPU: 1584.98, 0.00312253/step Wall: 1584.98, 0.00312253/step, 3.91842 hours remaining, 231.320312 MB of memory in use. ENERGY: 482400 3995.8133 20632.5076 14485.9632 252.9092 -203023.9362 2069.2336 0.0000 0.0000 52005.4463 -109582.0629 298.8760 -161587.5093 -109222.8977 299.4120 -186.6608 -154.6088 760581.7485 -0.3152 -0.2321 PRESSURE: 482600 8.12688 -155.357 107.26 -155.357 -152.159 -79.7184 107.26 -79.7183 -25.4965 GPRESSURE: 482600 55.5684 -223.223 127.937 -127.071 -76.5098 -74.5908 98.2172 -20.5023 -68.9104 PRESSAVG: 482600 43.818 -56.0838 24.2186 -56.0838 -7.82387 2.74145 24.2186 2.74147 -16.6223 GPRESSAVG: 482600 42.5822 -56.4764 25.5375 -54.4228 -7.21158 2.63432 25.0152 2.91501 -16.1087 TIMING: 482600 CPU: 1585.61, 0.00312795/step Wall: 1585.61, 0.00312795/step, 3.92505 hours remaining, 231.320312 MB of memory in use. ENERGY: 482600 4081.1793 20569.4836 14508.6032 248.9421 -203298.5686 2364.4022 0.0000 0.0000 52051.3456 -109474.6126 299.1398 -161525.9583 -109119.5577 299.2607 -56.5094 -29.9506 759300.5056 6.4573 6.4206 PRESSURE: 482800 373.254 -11.9327 -263.976 -11.9334 -172.534 -188.754 -263.976 -188.754 -80.3272 GPRESSURE: 482800 367.501 -52.3547 -213.804 58.917 -156.387 -116.462 -167.975 -208.017 -41.6737 PRESSAVG: 482800 -5.73162 -20.3136 -8.40034 -20.3136 -6.45195 20.0179 -8.40035 20.018 10.6477 GPRESSAVG: 482800 -5.69576 -17.7365 -8.39667 -20.3648 -6.94832 20.3793 -9.04014 19.9295 11.075 TIMING: 482800 CPU: 1586.23, 0.00311376/step Wall: 1586.23, 0.00311376/step, 3.90708 hours remaining, 231.320312 MB of memory in use. ENERGY: 482800 3986.3489 20518.5360 14473.6059 238.3568 -203603.0378 2467.3470 0.0000 0.0000 52113.1010 -109805.7421 299.4947 -161918.8431 -109446.1569 299.4295 40.1307 56.4801 758836.1259 -0.5120 -0.5230 PRESSURE: 483000 -26.9181 -229.942 -136.849 -229.942 86.7239 -17.1846 -136.85 -17.184 288.715 GPRESSURE: 483000 87.8427 -307.274 -136.811 -136.698 75.3735 89.1937 -55.9189 -34.017 285.446 PRESSAVG: 483000 50.1347 -5.23123 -1.17195 -5.2312 -39.3292 -22.3943 -1.17193 -22.3944 -16.6804 GPRESSAVG: 483000 50.0894 -5.58996 0.901082 -5.25687 -38.3588 -22.8875 -3.32355 -20.1011 -17.6963 TIMING: 483000 CPU: 1586.86, 0.00313149/step Wall: 1586.86, 0.00313149/step, 3.92915 hours remaining, 231.320312 MB of memory in use. ENERGY: 483000 4036.4801 20741.6904 14357.8589 236.8909 -203579.4882 2422.1375 0.0000 0.0000 51957.3387 -109827.0919 298.5995 -161784.4306 -109469.0656 299.0420 116.1735 149.5541 759165.3899 -1.9583 -1.9886 PRESSURE: 483200 -27.6165 6.53073 -52.7854 6.5305 -401.973 -98.9216 -52.7847 -98.9214 -287.519 GPRESSURE: 483200 55.5208 -70.7323 -90.7836 4.41294 -407.379 -188.834 30.01 -76.2341 -270.14 PRESSAVG: 483200 52.5564 -60.0591 9.20538 -60.0591 -24.3784 3.90826 9.20537 3.90826 13.0185 GPRESSAVG: 483200 53.7786 -61.8116 7.30191 -58.043 -25.5492 4.80603 10.3891 1.26073 13.3805 TIMING: 483200 CPU: 1587.48, 0.00313392/step Wall: 1587.48, 0.00313392/step, 3.93203 hours remaining, 231.320312 MB of memory in use. ENERGY: 483200 3977.4745 20514.8225 14575.9462 221.0906 -203608.8878 2500.4505 0.0000 0.0000 51904.6917 -109914.4117 298.2970 -161819.1034 -109558.7892 298.8842 -239.0362 -207.3326 760647.3240 13.7322 13.8700 PRESSURE: 483400 -139.899 -180.713 -18.9567 -180.714 -445.063 39.8231 -18.9575 39.8235 168.429 GPRESSURE: 483400 -117.295 -81.237 21.9306 -197.903 -362.171 115.787 -9.63864 110.506 146.117 PRESSAVG: 483400 6.48444 -65.3934 -45.6769 -65.3935 -31.2179 23.4913 -45.6769 23.4913 -6.62262 GPRESSAVG: 483400 4.12571 -65.8343 -43.9542 -67.3166 -29.7892 21.8383 -46.0196 25.3423 -6.10995 TIMING: 483400 CPU: 1588.11, 0.00314122/step Wall: 1588.11, 0.00314122/step, 3.94101 hours remaining, 231.320312 MB of memory in use. ENERGY: 483400 4000.3732 20413.2384 14467.7431 255.8058 -203626.8504 2399.7129 0.0000 0.0000 52119.2630 -109970.7140 299.5301 -162089.9770 -109607.3009 298.6446 -138.8442 -111.1160 760181.2428 -10.4520 -10.5912 PRESSURE: 483600 39.6581 -182.609 -113.713 -182.609 -1.5512 -173.719 -113.713 -173.719 -50.463 GPRESSURE: 483600 52.2725 -121.663 -64.7774 -69.7275 118.29 -268.537 -44.1035 -149.934 -93.9556 PRESSAVG: 483600 -17.534 -70.4649 12.7137 -70.4649 16.9338 -0.573774 12.7137 -0.573739 -4.47552 GPRESSAVG: 483600 -16.026 -69.3103 10.7342 -68.0227 15.1748 0.822067 13.9452 -1.16354 -4.7529 TIMING: 483600 CPU: 1588.74, 0.00313865/step Wall: 1588.74, 0.00313865/step, 3.93761 hours remaining, 231.320312 MB of memory in use. ENERGY: 483600 3942.6751 20380.9596 14486.4466 248.2930 -203804.6004 2646.6373 0.0000 0.0000 52023.6451 -110075.9437 298.9806 -162099.5889 -109709.1658 298.6302 -4.1187 25.5355 759338.4155 -1.6919 -1.8680 PRESSURE: 483800 -143.701 108.975 86.538 108.976 237.8 212.098 86.538 212.099 -211.38 GPRESSURE: 483800 -85.218 -72.0544 166.469 150.044 271.108 184.52 -75.5729 304.217 -208.507 PRESSAVG: 483800 3.4124 -37.1444 55.2871 -37.1444 -32.1676 -76.1926 55.287 -76.1926 5.89078 GPRESSAVG: 483800 2.33711 -39.1021 54.1271 -39.083 -30.6467 -75.6845 55.3527 -76.6932 5.38647 TIMING: 483800 CPU: 1589.37, 0.00313569/step Wall: 1589.37, 0.00313569/step, 3.93372 hours remaining, 231.320312 MB of memory in use. ENERGY: 483800 3987.1959 20369.5118 14450.3977 241.7571 -203527.7608 2484.9832 0.0000 0.0000 51884.4404 -110109.4746 298.1806 -161993.9150 -109738.3285 298.4579 -39.0936 -7.5393 759997.8135 -7.6215 -7.6410 PRESSURE: 484000 331.283 35.5195 -94.5883 35.5189 -153.368 141.481 -94.5885 141.482 110.071 GPRESSURE: 484000 379.178 78.5334 -139.549 66.9222 -83.909 101.575 -25.5006 -1.88202 87.2018 PRESSAVG: 484000 28.2336 4.35857 38.0876 4.35859 -35.8071 -42.0806 38.0875 -42.0806 16.3718 GPRESSAVG: 484000 28.815 5.03337 38.4917 6.2205 -37.0335 -42.5727 38.3834 -42.4288 17.1981 TIMING: 484000 CPU: 1589.99, 0.00312793/step Wall: 1589.99, 0.00312793/step, 3.92382 hours remaining, 231.320312 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: 484000 3959.5328 20403.3240 14498.4922 250.0118 -203480.9300 2501.3601 0.0000 0.0000 51953.0039 -109915.2052 298.5746 -161868.2090 -109551.9342 297.9477 95.9953 127.4902 760678.9223 2.9328 2.9932 PRESSURE: 484200 -8.05599 53.9913 164.62 53.9925 264.562 -162.659 164.62 -162.659 208.403 GPRESSURE: 484200 -21.1921 101.34 192.519 9.12062 256.018 -300.542 183.233 59.068 305.416 PRESSAVG: 484200 -3.08999 -30.4507 62.5929 -30.4508 -17.5623 -39.882 62.5929 -39.882 14.031 GPRESSAVG: 484200 -2.5755 -30.2408 62.3075 -32.1782 -17.3254 -39.2796 64.0173 -40.6535 13.3267 TIMING: 484200 CPU: 1590.62, 0.00312827/step Wall: 1590.62, 0.00312827/step, 3.92407 hours remaining, 231.320312 MB of memory in use. ENERGY: 484200 3888.6290 20432.3613 14413.1774 258.4170 -203420.8549 2433.6906 0.0000 0.0000 51900.3297 -110094.2499 298.2719 -161994.5797 -109728.5649 298.2100 154.9697 180.0806 759060.0505 -2.2071 -2.1914 LDB: ============= START OF LOAD BALANCING ============== 1603.04 LDB: ============== END OF LOAD BALANCING =============== 1603.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1603.04 LDB: ============= START OF LOAD BALANCING ============== 1603.35 LDB: Largest compute 7049 load 0.036407 is 18.7% of average load 0.195086 LDB: Average compute 0.004380 is 2.2% of average load 0.195086 LDB: TIME 1603.36 LOAD: AVG 0.195086 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 1603.36 LOAD: AVG 0.195086 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: TIME 1603.36 LOAD: AVG 0.195086 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: ============== END OF LOAD BALANCING =============== 1603.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1603.36 PRESSURE: 484400 -36.4463 -47.5804 17.7239 -47.5801 -12.888 29.3095 17.7246 29.3093 42.8104 GPRESSURE: 484400 76.6364 98.812 5.46186 -18.6298 -14.8835 34.0844 -32.5958 119.085 18.3758 PRESSAVG: 484400 -18.1674 -9.684 28.3895 -9.68406 9.52366 -18.7927 28.3895 -18.7927 17.1068 GPRESSAVG: 484400 -18.0638 -9.97278 29.77 -7.53372 7.97331 -20.1723 26.4225 -16.98 18.6282 TIMING: 484400 CPU: 1591.26, 0.00320861/step Wall: 1591.26, 0.00320861/step, 4.02467 hours remaining, 231.585938 MB of memory in use. ENERGY: 484400 3955.5633 20435.9190 14377.4714 264.4977 -202983.5983 2000.4861 0.0000 0.0000 51957.3700 -109992.2909 298.5997 -161949.6609 -109639.6093 298.3714 -2.1746 26.7096 761560.9437 2.8210 2.8459 PRESSURE: 484600 -652.067 224.75 46.3352 224.75 -477.616 -224.257 46.3354 -224.257 -440.943 GPRESSURE: 484600 -643.42 259.331 0.724783 143.122 -459.418 -214.393 52.6558 -111.9 -399.089 PRESSAVG: 484600 26.1594 -17.714 41.604 -17.7141 12.7025 -20.744 41.604 -20.7439 -8.1035 GPRESSAVG: 484600 24.6065 -18.6896 40.5466 -17.329 14.1306 -20.4293 42.4497 -21.5777 -8.18657 TIMING: 484600 CPU: 1591.89, 0.00314739/step Wall: 1591.89, 0.00314739/step, 3.9477 hours remaining, 231.656250 MB of memory in use. ENERGY: 484600 4011.5105 20410.9407 14384.5470 264.3681 -202962.3440 2021.2704 0.0000 0.0000 51841.4397 -110028.2675 297.9335 -161869.7072 -109671.4249 298.5437 -523.5418 -500.6423 761243.5260 10.2528 10.1835 PRESSURE: 484800 -345.626 -365.354 66.5263 -365.355 -103.132 -311.709 66.5266 -311.708 77.1502 GPRESSURE: 484800 -285.66 -310.763 15.5265 -375.848 -88.3473 -322.763 87.2695 -341.583 85.9717 PRESSAVG: 484800 -12.2386 -53.0352 -1.1695 -53.0352 25.273 -90.9207 -1.16955 -90.9207 -9.47358 GPRESSAVG: 484800 -12.0984 -50.7883 -0.922978 -53.489 26.2798 -92.3364 -1.59394 -90.3809 -10.4609 TIMING: 484800 CPU: 1592.52, 0.00313664/step Wall: 1592.52, 0.00313664/step, 3.93404 hours remaining, 231.656250 MB of memory in use. ENERGY: 484800 3896.5804 20348.5652 14429.3665 235.9633 -202996.6416 2049.7640 0.0000 0.0000 52029.1985 -110007.2037 299.0125 -162036.4023 -109633.9323 298.1868 -123.8695 -96.0119 760597.4635 1.1869 1.2402 PRESSURE: 485000 76.4256 6.37659 48.0236 6.37573 -103.716 -0.702219 48.024 -0.703934 19.2168 GPRESSURE: 485000 163.003 66.3703 9.43764 -53.8681 -111.128 5.92395 68.9725 52.0483 24.7094 PRESSAVG: 485000 -62.1586 -57.1422 14.4988 -57.1422 53.0212 -59.986 14.4987 -59.9861 -4.8458 GPRESSAVG: 485000 -61.51 -57.3541 13.6278 -58.0577 52.4344 -58.596 16.6933 -60.1683 -4.61221 TIMING: 485000 CPU: 1593.14, 0.00312653/step Wall: 1593.14, 0.00312653/step, 3.92118 hours remaining, 231.656250 MB of memory in use. ENERGY: 485000 3947.3119 20220.7895 14467.7747 232.5188 -203059.1839 2261.8926 0.0000 0.0000 51890.0363 -110038.8602 298.2128 -161928.8965 -109679.3448 298.4969 -2.6912 25.5281 758807.8788 -4.6611 -4.5626 PRESSURE: 485200 35.5163 -66.462 -233.006 -66.4612 -112.098 -61.9378 -233.006 -61.9373 105.984 GPRESSURE: 485200 105.329 -40.282 -169.696 52.9509 -75.2992 -91.5339 -134.941 25.142 93.3335 PRESSAVG: 485200 60.0591 -23.6249 49.2218 -23.6249 -5.35832 -41.2511 49.2218 -41.251 -20.2854 GPRESSAVG: 485200 60.7081 -23.6209 48.7614 -22.884 -6.09842 -42.3136 46.8197 -41.1967 -19.8081 TIMING: 485200 CPU: 1593.76, 0.0031183/step Wall: 1593.76, 0.0031183/step, 3.91069 hours remaining, 231.656250 MB of memory in use. ENERGY: 485200 3960.5342 20373.3980 14452.8634 235.3534 -203294.9071 2356.3785 0.0000 0.0000 52113.2029 -109803.1766 299.4953 -161916.3795 -109432.6482 298.5195 9.8007 41.1211 759576.2448 11.4718 11.6005 PRESSURE: 485400 111.358 -107.61 161.16 -107.61 -231.123 -105.408 161.16 -105.41 -642.35 GPRESSURE: 485400 83.021 -31.7621 160.767 -78.151 -51.8531 -154.541 -61.2503 -12.0209 -690.418 PRESSAVG: 485400 29.3119 -15.8582 2.73681 -15.8582 -4.06649 -61.7792 2.73679 -61.7792 11.6688 GPRESSAVG: 485400 29.4792 -14.505 2.84741 -19.0043 -3.84569 -61.5589 3.93023 -60.5525 11.3466 TIMING: 485400 CPU: 1594.39, 0.00312201/step Wall: 1594.39, 0.00312201/step, 3.91518 hours remaining, 231.656250 MB of memory in use. ENERGY: 485400 3962.4545 20522.2541 14493.8792 245.5926 -203043.8505 2334.9900 0.0000 0.0000 51728.8087 -109755.8715 297.2862 -161484.6802 -109392.6503 298.9187 -254.0383 -219.7499 760954.6892 12.3047 12.3267 PRESSURE: 485600 161.354 -256.51 94.5302 -256.51 255.509 146.947 94.5303 146.946 391.451 GPRESSURE: 485600 171.186 -175.997 149.851 -259.006 263.205 152.449 274.202 109.33 457.656 PRESSAVG: 485600 16.5786 -28.6077 25.2446 -28.6077 -24.0637 -10.44 25.2447 -10.44 2.64945 GPRESSAVG: 485600 16.4853 -30.138 27.3912 -26.066 -23.9747 -9.54693 21.3939 -13.9843 2.76872 TIMING: 485600 CPU: 1595.02, 0.00313315/step Wall: 1595.02, 0.00313315/step, 3.92898 hours remaining, 231.656250 MB of memory in use. ENERGY: 485600 3872.0402 20379.6841 14477.9153 228.4101 -203359.6564 2829.8511 0.0000 0.0000 52093.0981 -109478.6575 299.3798 -161571.7556 -109109.5511 299.3042 269.4383 297.3489 760955.7332 -1.6119 -1.5736 PRESSURE: 485800 1.09797 -54.0228 42.7124 -54.0227 -16.2658 -90.4776 42.7122 -90.4768 -325.638 GPRESSURE: 485800 5.06384 32.0748 48.9501 -181.656 -33.5424 -124.297 -106.024 -56.7505 -220.049 PRESSAVG: 485800 85.5969 -24.4036 10.0442 -24.4036 -86.015 -16.027 10.0442 -16.0271 14.1008 GPRESSAVG: 485800 84.6896 -25.3627 9.20016 -24.5727 -85.9895 -15.7321 13.4501 -13.3063 14.5805 TIMING: 485800 CPU: 1595.64, 0.00312506/step Wall: 1595.64, 0.00312506/step, 3.91865 hours remaining, 231.656250 MB of memory in use. ENERGY: 485800 3954.9947 20375.4139 14455.6533 254.5461 -203018.2839 2486.5936 0.0000 0.0000 52068.4000 -109422.6822 299.2378 -161491.0822 -109058.9927 299.1630 -113.6018 -82.8424 762240.9962 4.5609 4.4269 PRESSURE: 486000 -267.476 213.968 48.3685 213.967 -253.554 -101.998 48.3684 -101.997 188.237 GPRESSURE: 486000 -283.748 125.88 154.345 164.437 -95.7406 -168.626 -15.8021 -76.1808 126.729 PRESSAVG: 486000 15.0129 -5.43044 -23.6741 -5.43047 -7.97673 -27.8081 -23.6741 -27.808 4.53453 GPRESSAVG: 486000 15.879 -4.8814 -25.6114 -5.47872 -8.23763 -27.5382 -23.907 -27.7081 3.28505 TIMING: 486000 CPU: 1596.26, 0.00311734/step Wall: 1596.26, 0.00311734/step, 3.9088 hours remaining, 231.656250 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: 486000 4064.2245 20431.5986 14476.1004 240.1094 -203077.6601 2276.2753 0.0000 0.0000 52254.1750 -109335.1769 300.3055 -161589.3519 -108972.8336 299.5682 -110.9307 -84.2532 760052.2518 3.8569 3.6421 PRESSURE: 486200 -262.821 353.991 -281.602 353.991 -178.382 -189.063 -281.601 -189.062 161.708 GPRESSURE: 486200 -258.901 257.748 -188.825 377.338 -136.192 -144.899 -253.96 -152.226 208.04 PRESSAVG: 486200 7.12355 0.0510212 -0.399105 0.0510329 -8.91177 -63.8477 -0.399087 -63.8477 21.4253 GPRESSAVG: 486200 5.86197 -0.616393 1.8247 0.543255 -7.97444 -64.6051 0.15462 -65.3302 21.723 TIMING: 486200 CPU: 1596.89, 0.00312337/step Wall: 1596.89, 0.00312337/step, 3.91619 hours remaining, 231.656250 MB of memory in use. ENERGY: 486200 4113.1204 20421.0370 14484.3817 227.2286 -203293.9814 2466.6955 0.0000 0.0000 52292.7129 -109288.8053 300.5269 -161581.5182 -108932.9457 299.9539 -93.1652 -62.3513 759565.6830 6.5457 6.5368 PRESSURE: 486400 -266.898 -170.044 94.0957 -170.044 40.1348 -228.227 94.095 -228.227 -16.526 GPRESSURE: 486400 -232.053 -213.401 107.132 -34.5896 44.3963 -185.516 52.1391 -210.795 19.375 PRESSAVG: 486400 -25.0678 -26.9534 5.04749 -26.9534 21.0093 -34.7767 5.04746 -34.7767 5.57952 GPRESSAVG: 486400 -25.3491 -25.0209 4.42286 -25.4886 20.7436 -34.597 4.00253 -35.0228 5.72618 TIMING: 486400 CPU: 1597.51, 0.00312974/step Wall: 1597.51, 0.00312974/step, 3.924 hours remaining, 231.656250 MB of memory in use. ENERGY: 486400 4005.5139 20351.9841 14393.4518 243.4771 -203286.2650 2552.4630 0.0000 0.0000 52273.1494 -109466.2256 300.4145 -161739.3751 -109108.4334 299.6513 -81.0962 -56.0939 761692.0473 0.5070 0.3735 PRESSURE: 486600 -79.8946 -46.3777 25.0141 -46.3782 145.561 -103.967 25.0146 -103.968 222.809 GPRESSURE: 486600 60.0221 -37.3208 38.7132 -67.3648 70.8965 -83.2607 -19.6622 -14.4806 230.341 PRESSAVG: 486600 35.7641 -35.3663 61.3982 -35.3664 -70.5325 -1.27047 61.3983 -1.27056 -1.69971 GPRESSAVG: 486600 36.2754 -36.8894 60.0239 -36.1901 -70.8996 -0.746569 60.6682 -2.45333 -1.82838 TIMING: 486600 CPU: 1598.14, 0.00312328/step Wall: 1598.14, 0.00312328/step, 3.91572 hours remaining, 231.656250 MB of memory in use. ENERGY: 486600 3869.3626 20475.7020 14492.3317 235.4963 -202843.5910 2408.2132 0.0000 0.0000 51898.1844 -109464.3006 298.2596 -161362.4851 -109100.6524 299.0840 96.1582 120.4199 761711.0288 -12.1560 -12.1508 PRESSURE: 486800 -72.5224 26.7419 41.6583 26.7409 270.381 107.68 41.658 107.68 -75.3088 GPRESSURE: 486800 -89.5463 38.8939 133.011 -75.9501 295.957 40.2659 8.44829 70.242 -23.7352 PRESSAVG: 486800 42.4666 -15.2395 -10.0242 -15.2395 -1.73215 25.304 -10.0242 25.304 6.50191 GPRESSAVG: 486800 43.0766 -16.6751 -9.42055 -13.6929 -0.963802 26.2758 -8.45356 27.7764 4.94205 TIMING: 486800 CPU: 1598.76, 0.00312627/step Wall: 1598.76, 0.00312627/step, 3.9193 hours remaining, 231.656250 MB of memory in use. ENERGY: 486800 3909.8029 20385.5000 14452.9844 247.7372 -203023.5117 2564.2005 0.0000 0.0000 51935.7997 -109527.4869 298.4758 -161463.2867 -109164.2569 299.2356 40.8499 60.8918 761804.3745 15.7455 15.6849 PRESSURE: 487000 -39.1054 -67.7668 159.923 -67.7654 -27.8672 -278.583 159.923 -278.583 202.492 GPRESSURE: 487000 55.9884 7.45833 137.915 -47.3711 -65.2388 -225.764 139.675 -197.399 222.156 PRESSAVG: 487000 -14.1077 -29.5845 -1.42409 -29.5845 4.83394 46.0354 -1.42404 46.0354 4.21802 GPRESSAVG: 487000 -13.2802 -27.8199 -1.90394 -33.1656 3.5878 45.5984 -0.0579783 44.4883 5.02071 TIMING: 487000 CPU: 1599.39, 0.00312197/step Wall: 1599.39, 0.00312197/step, 3.91373 hours remaining, 231.656250 MB of memory in use. ENERGY: 487000 3926.0811 20542.6845 14388.7753 263.0746 -203158.2167 2522.0185 0.0000 0.0000 52082.6540 -109432.9288 299.3197 -161515.5828 -109057.2540 299.3393 45.1731 70.9686 762122.7943 -1.6852 -1.5572 PRESSURE: 487200 -487.712 197.757 60.9493 197.757 -127.856 24.4155 60.9498 24.4155 -387.748 GPRESSURE: 487200 -352.271 222.204 96.6419 38.7716 -197.247 17.2375 64.8409 -10.2886 -365.366 PRESSAVG: 487200 -12.827 -100.508 12.8948 -100.508 3.64586 -30.8811 12.8948 -30.8811 -28.324 GPRESSAVG: 487200 -13.9608 -99.8365 13.6405 -99.1517 4.00681 -32.1267 10.6606 -28.5034 -27.3084 TIMING: 487200 CPU: 1600.01, 0.00311135/step Wall: 1600.01, 0.00311135/step, 3.90025 hours remaining, 231.656250 MB of memory in use. ENERGY: 487200 4056.9216 20480.1783 14503.9999 246.9541 -203201.2086 2407.3083 0.0000 0.0000 52093.7277 -109412.1188 299.3834 -161505.8464 -109053.3738 299.4798 -334.4386 -304.9615 762595.7362 -12.5017 -12.4208 PRESSURE: 487400 -219.029 33.66 159.762 33.6593 -157.307 139.475 159.762 139.475 607.479 GPRESSURE: 487400 -165.089 6.67452 60.4254 13.4113 -172.564 123.666 148.295 177.576 640.634 PRESSAVG: 487400 -31.5358 -39.289 32.4798 -39.2891 -35.6934 1.79975 32.4797 1.79975 -3.91011 GPRESSAVG: 487400 -31.6273 -38.8198 32.8131 -39.8803 -35.1608 2.04614 34.0122 1.35498 -4.43958 TIMING: 487400 CPU: 1600.64, 0.00311931/step Wall: 1600.64, 0.00311931/step, 3.91006 hours remaining, 231.656250 MB of memory in use. ENERGY: 487400 3970.9109 20551.9748 14431.3755 240.1403 -202583.4616 2026.7181 0.0000 0.0000 51942.7783 -109419.5636 298.5159 -161362.3419 -109071.4315 299.7837 77.0479 100.9937 761357.4162 -23.7131 -23.7426 PRESSURE: 487600 -262.654 -133.383 -58.0451 -133.382 205.595 -79.0621 -58.046 -79.0608 -277.153 GPRESSURE: 487600 -246.668 -187.293 -69.8392 -133.055 263.986 -82.6986 -60.1463 -67.6513 -265.866 PRESSAVG: 487600 28.7485 -9.76479 37.9941 -9.76481 -7.32585 -12.1097 37.994 -12.1097 3.61146 GPRESSAVG: 487600 28.6766 -9.22973 37.9042 -9.67301 -7.61643 -12.3317 36.6425 -10.7533 3.88336 TIMING: 487600 CPU: 1601.26, 0.0031377/step Wall: 1601.26, 0.0031377/step, 3.93294 hours remaining, 231.656250 MB of memory in use. ENERGY: 487600 3993.0488 20567.8906 14477.3463 249.0028 -203123.0641 2359.0177 0.0000 0.0000 52027.1452 -109449.6128 299.0007 -161476.7580 -109083.6102 299.4306 -111.4040 -82.8493 761911.1832 8.3447 8.3145 PRESSURE: 487800 -73.4881 233.333 -14.7325 233.333 -311.443 92.8824 -14.7328 92.8815 -71.9159 GPRESSURE: 487800 -45.9696 211.751 42.3928 248.179 -317.58 14.7162 -7.23752 185.992 -8.9705 PRESSAVG: 487800 -12.7182 -33.2156 -31.3505 -33.2155 -3.14542 -30.4174 -31.3505 -30.4174 -20.5295 GPRESSAVG: 487800 -11.1899 -34.9444 -32.2074 -31.0615 -3.51342 -28.9608 -31.5868 -29.6923 -22.2005 TIMING: 487800 CPU: 1601.89, 0.00313227/step Wall: 1601.89, 0.00313227/step, 3.92595 hours remaining, 231.656250 MB of memory in use. ENERGY: 487800 3935.1158 20559.3913 14529.1206 224.5442 -203221.0434 2317.5556 0.0000 0.0000 52324.2156 -109331.1003 300.7080 -161655.3159 -108969.1463 299.6312 -152.2823 -124.1734 759785.1353 -12.1310 -12.3013 PRESSURE: 488000 -466.338 128.484 -199.59 128.484 96.7607 151.831 -199.59 151.831 -152.476 GPRESSURE: 488000 -429.383 181.339 -178.861 80.2089 50.9054 163.903 -284.99 189.153 -41.8313 PRESSAVG: 488000 3.02869 2.4649 -67.6511 2.46487 9.32675 -11.1898 -67.651 -11.1898 -10.9742 GPRESSAVG: 488000 2.42583 2.39612 -67.4509 2.00859 7.58598 -12.2606 -65.8188 -12.7416 -8.45169 TIMING: 488000 CPU: 1602.51, 0.0031252/step Wall: 1602.51, 0.0031252/step, 3.91691 hours remaining, 231.656250 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: 488000 3989.0013 20557.2142 14509.7995 260.2104 -203285.9894 2552.5613 0.0000 0.0000 52128.3503 -109288.8524 299.5823 -161417.2026 -108935.8507 299.7876 -174.0179 -140.1029 762450.6707 0.4604 0.5200 PRESSURE: 488200 67.8013 -38.9003 -39.7348 -38.901 -110.674 -95.2581 -39.7342 -95.2581 79.4424 GPRESSURE: 488200 78.7016 -1.01018 -50.1574 -49.0395 -95.8004 -98.9992 -94.355 -111.73 129.899 PRESSAVG: 488200 33.142 16.8056 3.73484 16.8057 -18.2156 -49.4788 3.7349 -49.4787 -1.04338 GPRESSAVG: 488200 33.0133 19.4575 5.33291 14.2559 -15.907 -50.8778 1.09623 -50.4845 -3.14083 TIMING: 488200 CPU: 1603.14, 0.00312399/step Wall: 1603.14, 0.00312399/step, 3.91523 hours remaining, 231.656250 MB of memory in use. ENERGY: 488200 3910.9292 20473.2105 14435.6266 256.2288 -203687.3538 2642.1802 0.0000 0.0000 52392.0929 -109577.0856 301.0981 -161969.1784 -109216.1671 299.7817 12.1898 37.6002 759425.6188 4.6277 4.6552 LDB: ============= START OF LOAD BALANCING ============== 1615.56 LDB: ============== END OF LOAD BALANCING =============== 1615.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1615.56 LDB: ============= START OF LOAD BALANCING ============== 1615.87 LDB: Largest compute 7075 load 0.033042 is 16.9% of average load 0.195227 LDB: Average compute 0.004374 is 2.2% of average load 0.195227 LDB: TIME 1615.88 LOAD: AVG 0.195227 MAX 0.215358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.711 MB LDB: TIME 1615.88 LOAD: AVG 0.195227 MAX 0.215358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.711 MB LDB: TIME 1615.88 LOAD: AVG 0.195227 MAX 0.215358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.711 MB LDB: ============== END OF LOAD BALANCING =============== 1615.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1615.88 PRESSURE: 488400 66.0614 -65.1437 280.453 -65.144 143.288 132.87 280.454 132.87 -267.642 GPRESSURE: 488400 117.132 -115.74 242.498 0.511927 162.557 182.873 324.111 154.873 -248.628 PRESSAVG: 488400 2.6672 -11.5621 0.121841 -11.5621 14.8732 13.6967 0.121873 13.6968 3.92685 GPRESSAVG: 488400 3.06305 -13.3799 -1.1111 -9.91533 13.801 14.0285 1.42754 15.654 4.31472 TIMING: 488400 CPU: 1603.78, 0.00319226/step Wall: 1603.78, 0.00319226/step, 4.00062 hours remaining, 231.003906 MB of memory in use. ENERGY: 488400 3991.9121 20234.4327 14404.2932 239.4105 -203198.8336 2713.3668 0.0000 0.0000 51921.5358 -109693.8825 298.3938 -161615.4183 -109324.5020 298.6245 -19.4309 10.3539 761649.9352 7.1557 7.0596 PRESSURE: 488600 -94.0274 163.009 -113.448 163.009 -155.685 273.984 -113.447 273.983 324.935 GPRESSURE: 488600 -91.3564 42.1798 -155.756 104.989 -44.96 218.35 -40.9397 189.111 305.479 PRESSAVG: 488600 -16.9392 -20.7761 34.7625 -20.7762 0.851389 12.1588 34.7625 12.1588 7.91871 GPRESSAVG: 488600 -16.3297 -20.5715 35.5192 -21.6076 0.536757 13.2791 34.6688 10.5597 7.52866 TIMING: 488600 CPU: 1604.4, 0.00312182/step Wall: 1604.4, 0.00312182/step, 3.91216 hours remaining, 231.003906 MB of memory in use. ENERGY: 488600 3912.7383 20378.4016 14407.2560 226.1996 -203024.7744 2326.0730 0.0000 0.0000 52306.9010 -109467.2048 300.6085 -161774.1058 -109094.1785 298.8176 25.0741 56.3877 763734.6626 -2.7230 -2.7548 PRESSURE: 488800 -202.279 -123.38 234.951 -123.381 -75.0993 -65.7728 234.95 -65.7729 306.893 GPRESSURE: 488800 -111.169 -95.1971 234.978 -81.9421 18.8238 -58.8959 264.543 -46.7931 211.002 PRESSAVG: 488800 -24.3137 -3.51583 22.5911 -3.51584 16.8894 -47.8051 22.5911 -47.8052 -14.1695 GPRESSAVG: 488800 -24.9946 -3.7388 21.9263 -0.15555 17.5318 -48.1447 20.6937 -48.6567 -13.3615 TIMING: 488800 CPU: 1605.03, 0.00313813/step Wall: 1605.03, 0.00313813/step, 3.93242 hours remaining, 231.003906 MB of memory in use. ENERGY: 488800 3983.0315 20492.5634 14439.9507 245.1196 -203281.6604 2445.3451 0.0000 0.0000 52268.2093 -109407.4408 300.3861 -161675.6501 -109052.4249 299.6944 9.8383 39.5521 761758.0508 -7.1979 -6.9414 PRESSURE: 489000 251.109 127.583 -77.4918 127.583 445.756 -185.592 -77.4918 -185.592 247.298 GPRESSURE: 489000 317.224 -6.36836 -129.885 140.491 351.22 -186.538 -122.827 -219.06 348.885 PRESSAVG: 489000 -74.0185 -33.2044 22.2602 -33.2044 25.8617 12.8437 22.2602 12.8437 35.3431 GPRESSAVG: 489000 -73.072 -33.112 22.6843 -34.0328 25.5614 12.6322 24.6076 13.9982 34.6841 TIMING: 489000 CPU: 1605.66, 0.00313977/step Wall: 1605.66, 0.00313977/step, 3.9343 hours remaining, 231.003906 MB of memory in use. ENERGY: 489000 3949.5413 20447.8596 14528.6143 248.5513 -203592.1071 2750.7622 0.0000 0.0000 52005.0247 -109661.7537 298.8736 -161666.7784 -109297.5396 299.5955 314.7210 339.1097 760657.3820 -4.2712 -4.2755 PRESSURE: 489200 81.0549 -191.564 168.915 -191.564 -85.797 -161.043 168.915 -161.044 -127.317 GPRESSURE: 489200 104.806 -93.387 183.3 -265.948 -68.9786 -146.378 50.4658 -175.592 -72.8498 PRESSAVG: 489200 21.8848 -23.7473 -10.3066 -23.7473 6.56177 -15.5531 -10.3067 -15.5532 8.33261 GPRESSAVG: 489200 21.1222 -24.1784 -9.4914 -25.5019 7.3763 -14.9531 -14.36 -16.6691 8.51094 TIMING: 489200 CPU: 1606.28, 0.00312365/step Wall: 1606.28, 0.00312365/step, 3.91393 hours remaining, 231.003906 MB of memory in use. ENERGY: 489200 3907.9103 20577.4826 14543.7135 246.4273 -203297.0163 2547.5081 0.0000 0.0000 51964.0898 -109509.8846 298.6383 -161473.9744 -109145.2480 299.2712 -44.0199 -12.3409 760944.9796 12.2597 12.3365 PRESSURE: 489400 -205.542 -122.734 48.3894 -122.733 -601.769 158.572 48.3897 158.573 -440.098 GPRESSURE: 489400 -194.215 -128.086 12.5685 -133.735 -513.453 127.926 52.969 168.667 -435.092 PRESSAVG: 489400 28.1795 0.724341 15.5735 0.724257 -9.22112 -36.8843 15.5736 -36.8844 -5.93989 GPRESSAVG: 489400 28.6278 1.16848 14.4102 3.15192 -9.87627 -37.1158 18.8466 -37.3952 -5.43931 TIMING: 489400 CPU: 1606.91, 0.00313726/step Wall: 1606.91, 0.00313726/step, 3.93081 hours remaining, 231.003906 MB of memory in use. ENERGY: 489400 4023.6350 20352.5996 14515.2021 249.8427 -203065.3558 2213.1867 0.0000 0.0000 52010.3224 -109700.5674 298.9040 -161710.8898 -109322.2284 299.1699 -415.8031 -380.9200 760795.5910 4.3395 4.4374 PRESSURE: 489600 -457.807 -52.4828 318.72 -52.4831 -271.153 -338.797 318.72 -338.797 -177.391 GPRESSURE: 489600 -416.488 -57.4994 418.735 -42.9714 -314.698 -299.045 344.175 -167.94 -68.4495 PRESSAVG: 489600 30.2224 -60.8477 26.5838 -60.8477 -36.6579 33.7559 26.5839 33.7559 20.5166 GPRESSAVG: 489600 29.3368 -61.1909 26.548 -62.7208 -36.5096 33.976 27.5863 34.0986 22.0651 TIMING: 489600 CPU: 1607.53, 0.00311866/step Wall: 1607.53, 0.00311866/step, 3.90734 hours remaining, 231.003906 MB of memory in use. ENERGY: 489600 4060.8944 20406.1612 14521.3442 248.6393 -203428.6703 2612.4569 0.0000 0.0000 52041.2755 -109537.8988 299.0819 -161579.1743 -109170.9956 298.6567 -302.1171 -266.5448 760992.0349 4.6937 4.9641 PRESSURE: 489800 -82.6874 51.4697 -59.6234 51.4708 -292.541 62.0824 -59.6238 62.0819 -143.215 GPRESSURE: 489800 -87.3998 46.8309 -4.92463 158.785 -246.862 -19.8894 -46.9456 -10.2029 -112.341 PRESSAVG: 489800 5.29516 -30.0674 -1.78368 -30.0674 12.2568 16.114 -1.78366 16.1139 -25.4865 GPRESSAVG: 489800 6.54258 -28.6424 -3.32632 -31.4098 12.6077 16.2139 -2.75714 16.3788 -27.249 TIMING: 489800 CPU: 1608.16, 0.00312197/step Wall: 1608.16, 0.00312197/step, 3.9113 hours remaining, 231.003906 MB of memory in use. ENERGY: 489800 4034.6887 20543.6918 14457.1179 239.7667 -203170.9310 2380.9371 0.0000 0.0000 52025.8690 -109488.8597 298.9934 -161514.7287 -109127.7781 299.3814 -172.8144 -148.8677 761677.7213 -2.6449 -2.6996 PRESSURE: 490000 -5.56899 26.1022 16.8425 26.1021 122.039 -231.707 16.8441 -231.707 -406.696 GPRESSURE: 490000 69.2714 16.4872 -91.4689 -4.30105 88.5364 -153.213 77.2582 -228.911 -362.336 PRESSAVG: 490000 8.04705 -68.5277 2.90739 -68.5277 14.3358 -25.7327 2.90742 -25.7327 -10.5781 GPRESSAVG: 490000 8.17634 -69.5704 2.95508 -67.4297 14.2903 -25.7933 3.08993 -26.3345 -10.392 TIMING: 490000 CPU: 1608.78, 0.00311488/step Wall: 1608.78, 0.00311488/step, 3.90225 hours remaining, 231.003906 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: 490000 3988.8278 20682.7491 14432.8605 264.9480 -203329.1203 2517.2996 0.0000 0.0000 52130.6831 -109311.7522 299.5958 -161442.4354 -108955.8493 299.5946 -96.7421 -68.1761 761344.7459 3.9349 4.0249 PRESSURE: 490200 -187.406 31.5791 -205.726 31.5787 -14.1051 -124.468 -205.725 -124.468 433.624 GPRESSURE: 490200 -90.7824 -45.2936 -308.326 20.5331 -5.70573 -134.285 -107.97 -138.372 400.709 PRESSAVG: 490200 48.0072 -48.4957 28.8816 -48.4957 -53.606 -61.1954 28.8815 -61.1954 17.3241 GPRESSAVG: 490200 46.8447 -49.4324 29.0998 -48.8276 -52.962 -60.3482 28.8396 -59.7944 17.5828 TIMING: 490200 CPU: 1609.41, 0.003129/step Wall: 1609.41, 0.003129/step, 3.91977 hours remaining, 231.003906 MB of memory in use. ENERGY: 490200 3964.5541 20680.2136 14560.6980 237.2500 -203638.5045 2678.9628 0.0000 0.0000 52227.1286 -109289.6973 300.1500 -161516.8259 -108923.7742 299.7792 77.3711 101.4071 761852.3552 3.9084 3.8218 PRESSURE: 490400 88.4382 -19.1668 -33.578 -19.1674 -0.142829 126.94 -33.5779 126.939 233.96 GPRESSURE: 490400 160.851 -126.608 -47.8387 -47.5821 73.722 84.1812 -52.6184 32.3199 196.94 PRESSAVG: 490400 -20.9515 -48.4093 0.0615978 -48.4093 64.5888 -41.1286 0.0616293 -41.1286 2.33781 GPRESSAVG: 490400 -20.8903 -48.1223 -0.578265 -48.6552 64.6556 -43.2161 0.98004 -41.9892 1.77437 TIMING: 490400 CPU: 1610.03, 0.00312812/step Wall: 1610.03, 0.00312812/step, 3.9185 hours remaining, 231.003906 MB of memory in use. ENERGY: 490400 3958.4592 20633.6272 14530.5496 229.3643 -203919.6605 2932.9128 0.0000 0.0000 52208.3000 -109426.4473 300.0418 -161634.7474 -109056.1888 300.1375 107.4185 143.8377 759401.1687 15.3250 15.1799 PRESSURE: 490600 21.7919 67.5584 356.847 67.5588 -318.72 -0.0712201 356.847 -0.0713733 477.845 GPRESSURE: 490600 39.5547 -21.2263 361.395 -9.91058 -203.503 40.8326 283.778 -4.8645 429.152 PRESSAVG: 490600 57.3221 -15.4584 -22.3673 -15.4584 -26.2814 15.3457 -22.3673 15.3458 -3.70087 GPRESSAVG: 490600 58.0958 -15.3187 -21.9043 -14.4966 -26.0779 16.0782 -22.7286 16.6636 -4.50501 TIMING: 490600 CPU: 1610.66, 0.00312144/step Wall: 1610.66, 0.00312144/step, 3.90996 hours remaining, 231.003906 MB of memory in use. ENERGY: 490600 3965.8650 20545.3547 14521.9652 248.0091 -203217.3048 2301.7864 0.0000 0.0000 52173.2737 -109461.0507 299.8405 -161634.3244 -109097.8538 299.7739 60.3058 88.4015 759941.5988 9.1133 9.1710 PRESSURE: 490800 335.026 71.5935 -113.533 71.5938 41.1577 -140.19 -113.531 -140.191 204.234 GPRESSURE: 490800 354.709 18.5137 -154.051 135.766 82.1302 -82.6439 -115.257 -169.25 245.145 PRESSAVG: 490800 1.41574 -39.9109 -39.0152 -39.9109 -38.6845 1.45126 -39.0151 1.45122 -7.65327 GPRESSAVG: 490800 1.15252 -39.9751 -40.2897 -40.0912 -39.3544 1.6873 -39.3941 1.0881 -6.33229 TIMING: 490800 CPU: 1611.28, 0.00310595/step Wall: 1611.28, 0.00310595/step, 3.89037 hours remaining, 231.003906 MB of memory in use. ENERGY: 490800 3975.6701 20383.9261 14552.5783 239.8069 -203450.1836 2806.9196 0.0000 0.0000 51952.0858 -109539.1967 298.5694 -161491.2825 -109186.2781 299.9352 193.4727 227.3280 761382.5214 -14.9740 -14.8447 PRESSURE: 491000 99.8515 3.43018 -113.652 3.43003 91.2675 57.5488 -113.652 57.5486 -367.62 GPRESSURE: 491000 166.504 70.6771 -59.6922 -35.6276 56.5529 43.6519 -113.486 121.812 -306.184 PRESSAVG: 491000 -16.4402 -38.6574 -2.90911 -38.6574 2.26148 17.2072 -2.90903 17.2072 28.6689 GPRESSAVG: 491000 -15.5234 -39.2219 -2.32569 -38.3158 2.47756 16.4452 -3.07073 17.8739 27.7968 TIMING: 491000 CPU: 1611.9, 0.00313318/step Wall: 1611.9, 0.00313318/step, 3.92431 hours remaining, 231.003906 MB of memory in use. ENERGY: 491000 3956.5296 20529.8514 14465.1115 246.5171 -203254.5904 2440.2534 0.0000 0.0000 51964.8714 -109651.4560 298.6428 -161616.3273 -109285.8420 299.7198 -58.8336 -27.7088 758875.8779 4.8301 4.9170 PRESSURE: 491200 29.9643 -59.4422 119.422 -59.4426 -31.9489 114.608 119.422 114.607 -269.513 GPRESSURE: 491200 50.6984 -54.8416 137.955 -66.7108 34.1806 65.8849 59.736 51.426 -269.543 PRESSAVG: 491200 7.44769 -36.6768 12.1729 -36.6768 -19.079 3.90126 12.1729 3.90123 5.89149 GPRESSAVG: 491200 6.37513 -36.9875 12.6496 -36.7768 -19.2762 3.81161 10.3192 4.069 6.66171 TIMING: 491200 CPU: 1612.53, 0.00312273/step Wall: 1612.53, 0.00312273/step, 3.91105 hours remaining, 231.003906 MB of memory in use. ENERGY: 491200 4029.0699 20588.4160 14446.3720 241.6372 -203700.0649 2635.3763 0.0000 0.0000 52153.3607 -109605.8329 299.7261 -161759.1936 -109253.0793 299.5124 -90.4992 -61.5546 759890.8085 -1.9133 -2.0798 PRESSURE: 491400 -150.999 -95.0834 36.3236 -95.0836 -42.5084 -118.609 36.3243 -118.608 39.131 GPRESSURE: 491400 -82.0237 -128.112 60.5184 -85.03 -53.1184 -93.782 85.5197 -114.976 69.3272 PRESSAVG: 491400 8.31834 -45.9553 -4.68259 -45.9554 4.19895 -22.9947 -4.68258 -22.9947 0.206497 GPRESSAVG: 491400 8.93251 -45.5534 -2.83648 -47.079 3.73595 -23.3993 -4.71221 -22.5954 0.284811 TIMING: 491400 CPU: 1613.15, 0.00312844/step Wall: 1613.15, 0.00312844/step, 3.91803 hours remaining, 231.003906 MB of memory in use. ENERGY: 491400 3923.6847 20481.8933 14481.5114 277.8239 -203294.9047 2336.0291 0.0000 0.0000 52235.3939 -109558.5685 300.1975 -161793.9624 -109187.4827 299.5134 -51.4590 -21.9383 760132.1576 4.2413 4.3178 PRESSURE: 491600 585.22 100.778 -62.5501 100.778 -82.5715 -8.14036 -62.5506 -8.14079 233.841 GPRESSURE: 491600 464.318 132.06 -52.5642 -30.2335 79.5583 -28.2769 8.03403 2.05889 305.392 PRESSAVG: 491600 17.1524 -32.0215 10.4305 -32.0214 -36.3093 -8.72338 10.4305 -8.7234 14.7271 GPRESSAVG: 491600 16.4687 -31.9035 8.18254 -33.214 -34.8809 -9.69311 13.0845 -8.68824 13.1109 TIMING: 491600 CPU: 1613.78, 0.00314992/step Wall: 1613.78, 0.00314992/step, 3.94475 hours remaining, 231.003906 MB of memory in use. ENERGY: 491600 3985.7240 20621.6549 14442.1373 248.1982 -203446.8175 2596.9150 0.0000 0.0000 52130.2406 -109421.9475 299.5932 -161552.1881 -109067.1598 299.8796 245.4966 283.0895 760027.3802 -1.4766 -1.7671 PRESSURE: 491800 -423.475 47.6331 108.781 47.6343 -140.004 -9.73826 108.781 -9.73896 -355.496 GPRESSURE: 491800 -390.69 51.1839 44.123 84.2403 -131.559 -117.856 60.5252 84.0781 -339.402 PRESSAVG: 491800 59.3967 -31.3752 16.8261 -31.3753 -24.7194 -20.2138 16.8262 -20.2138 22.6316 GPRESSAVG: 491800 61.005 -31.7372 15.95 -29.7693 -26.6013 -19.0666 16.1147 -21.8862 23.1092 TIMING: 491800 CPU: 1614.42, 0.0031668/step Wall: 1614.42, 0.0031668/step, 3.96571 hours remaining, 231.003906 MB of memory in use. ENERGY: 491800 4043.0752 20699.5843 14503.9521 250.5838 -203253.5798 2228.9656 0.0000 0.0000 52047.2671 -109480.1516 299.1164 -161527.4188 -109123.4318 299.7008 -306.3249 -287.2171 761646.8428 19.1029 19.1709 PRESSURE: 492000 -106.991 215.45 35.9202 215.451 161.599 -134.189 35.9203 -134.188 -243.151 GPRESSURE: 492000 -50.0164 57.8966 49.9637 408.597 151.956 -125.037 66.1761 -212.61 -226.125 PRESSAVG: 492000 -71.0823 -9.93243 14.7526 -9.93248 49.3929 -49.8235 14.7526 -49.8234 10.0734 GPRESSAVG: 492000 -71.749 -9.16863 17.3926 -8.62863 48.9523 -50.4476 14.9721 -49.51 11.1976 TIMING: 492000 CPU: 1615.05, 0.00315486/step Wall: 1615.05, 0.00315486/step, 3.95059 hours remaining, 231.003906 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: 492000 4041.5930 20545.1566 14486.9463 234.2206 -203640.9541 2530.6071 0.0000 0.0000 52342.8459 -109459.5845 300.8151 -161802.4305 -109086.0162 299.5608 -62.8477 -41.3952 761437.1265 -3.8720 -3.8664 PRESSURE: 492200 187.923 -30.5081 104.866 -30.5086 142.319 -40.1438 104.865 -40.1426 -67.5688 GPRESSURE: 492200 241.462 31.4504 187.859 -13.8196 129.816 -61.9012 30.0884 -13.038 -18.3088 PRESSAVG: 492200 74.2165 -27.254 -8.74709 -27.254 -62.3382 -5.15155 -8.74706 -5.15153 6.60046 GPRESSAVG: 492200 73.7944 -29.6898 -8.97596 -26.7182 -61.3982 -4.67051 -10.2571 -3.91977 6.00769 TIMING: 492200 CPU: 1615.68, 0.00313853/step Wall: 1615.68, 0.00313853/step, 3.92996 hours remaining, 231.003906 MB of memory in use. ENERGY: 492200 3944.2958 20618.0555 14419.7890 237.5813 -203470.2545 2680.9469 0.0000 0.0000 52113.0520 -109456.5340 299.4944 -161569.5860 -109098.2082 300.3005 87.5575 117.6565 760857.3394 6.1596 6.1346 LDB: ============= START OF LOAD BALANCING ============== 1628.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1628.1 LDB: =============== DONE WITH MIGRATION ================ 1628.1 LDB: ============= START OF LOAD BALANCING ============== 1628.41 LDB: Largest compute 7075 load 0.036434 is 18.7% of average load 0.195204 LDB: Average compute 0.004391 is 2.2% of average load 0.195204 LDB: TIME 1628.41 LOAD: AVG 0.195204 MAX 0.212144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.996 MB LDB: TIME 1628.41 LOAD: AVG 0.195204 MAX 0.212144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: TIME 1628.41 LOAD: AVG 0.195204 MAX 0.212144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: ============== END OF LOAD BALANCING =============== 1628.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1628.42 PRESSURE: 492400 3.75384 -55.5626 116.994 -55.5632 -37.4844 -3.55651 116.995 -3.55649 305.092 GPRESSURE: 492400 58.9224 26.7119 135.371 -14.5492 107.145 22.2773 141.045 67.9578 208.219 PRESSAVG: 492400 40.4285 -8.72798 -22.9043 -8.72795 -13.332 -9.79835 -22.9043 -9.79828 14.4994 GPRESSAVG: 492400 39.9851 -7.75664 -25.3603 -9.35461 -12.667 -9.26795 -21.865 -9.24175 14.3968 TIMING: 492400 CPU: 1616.31, 0.00318879/step Wall: 1616.31, 0.00318879/step, 3.99272 hours remaining, 231.328125 MB of memory in use. ENERGY: 492400 3963.9852 20244.1206 14499.2005 228.8543 -203486.3230 2498.6855 0.0000 0.0000 52445.6972 -109605.7797 301.4061 -162051.4769 -109232.0192 299.8298 90.4538 124.7620 759763.5801 13.8653 13.9050 PRESSURE: 492600 -224.924 -32.5022 32.9058 -32.5031 -133.886 -4.30271 32.9062 -4.30266 -117.792 GPRESSURE: 492600 -155.314 -80.4057 -101.287 62.9761 -152.424 59.9605 32.9238 -166.65 -82.187 PRESSAVG: 492600 -4.86343 -31.3173 -24.0964 -31.3173 19.7039 2.86283 -24.0964 2.8628 -3.75602 GPRESSAVG: 492600 -3.92745 -30.7649 -21.1859 -31.9566 18.4906 2.54839 -23.4643 1.15016 -3.61512 TIMING: 492600 CPU: 1616.94, 0.0031145/step Wall: 1616.94, 0.0031145/step, 3.89953 hours remaining, 231.531250 MB of memory in use. ENERGY: 492600 3986.7842 20521.9087 14481.0446 232.9924 -203264.2664 2400.0802 0.0000 0.0000 52043.8652 -109597.5911 299.0968 -161641.4562 -109231.5294 299.7852 -158.8674 -129.9752 759627.2958 3.6948 3.6493 PRESSURE: 492800 30.9888 -54.8916 -82.3316 -54.891 -169.437 238.783 -82.3315 238.782 -41.8611 GPRESSURE: 492800 14.3087 43.6407 -2.31631 18.9573 -68.4899 166.446 -58.8745 361.599 -40.6807 PRESSAVG: 492800 47.7326 -1.3624 -43.0937 -1.36239 -30.3692 14.1214 -43.0937 14.1214 -6.61434 GPRESSAVG: 492800 46.5831 -0.996466 -42.6983 -0.677264 -30.8698 14.6839 -45.2268 14.5252 -5.63372 TIMING: 492800 CPU: 1617.57, 0.00315888/step Wall: 1617.57, 0.00315888/step, 3.95492 hours remaining, 231.531250 MB of memory in use. ENERGY: 492800 4063.9025 20572.9245 14423.1140 239.2278 -203130.2426 2483.1453 0.0000 0.0000 51959.0546 -109388.8738 298.6094 -161347.9284 -109019.4755 299.7044 -60.1030 -31.6206 760862.5611 3.5830 3.3599 PRESSURE: 493000 375.961 -147.554 -191.708 -147.553 -68.0794 -188.351 -191.708 -188.352 47.3649 GPRESSURE: 493000 441.748 -186.35 -141.844 -183.207 -19.8293 -134.949 -132.403 -154.103 13.8 PRESSAVG: 493000 14.6935 19.7672 -76.6273 19.7673 -102.293 28.6865 -76.6273 28.6864 -20.6595 GPRESSAVG: 493000 14.9027 19.7482 -76.6758 19.7237 -101.375 29.8188 -76.0082 27.5631 -21.3768 TIMING: 493000 CPU: 1618.2, 0.00313038/step Wall: 1618.2, 0.00313038/step, 3.91906 hours remaining, 231.531250 MB of memory in use. ENERGY: 493000 3955.7476 20601.9595 14460.2467 251.1584 -203323.7678 2475.1982 0.0000 0.0000 52127.8192 -109451.6383 299.5793 -161579.4575 -109091.4377 299.4133 118.4155 145.2394 760643.1796 -36.0863 -35.9495 PRESSURE: 493200 -379.596 -63.9589 119.606 -63.9588 35.7585 7.55354 119.606 7.55413 -548.641 GPRESSURE: 493200 -261.924 -149.72 180.524 -101.324 -76.8587 -16.0322 -16.037 28.5126 -461.506 PRESSAVG: 493200 66.034 28.8076 -63.385 28.8076 -12.1383 -10.5666 -63.3851 -10.5665 1.3319 GPRESSAVG: 493200 65.4514 27.4082 -62.5175 28.9162 -12.5735 -11.8766 -62.4014 -7.47768 1.91172 TIMING: 493200 CPU: 1618.82, 0.00311535/step Wall: 1618.82, 0.00311535/step, 3.90008 hours remaining, 231.531250 MB of memory in use. ENERGY: 493200 3992.8562 20515.0218 14450.3937 266.1924 -202590.4742 1872.0129 0.0000 0.0000 51860.9269 -109633.0703 298.0455 -161493.9972 -109267.7317 299.6456 -297.4929 -266.7630 762245.4732 18.4092 18.2632 PRESSURE: 493400 38.6363 11.9974 -156.527 11.9981 142.364 199.406 -156.527 199.407 221.009 GPRESSURE: 493400 28.0975 13.7877 -203.612 -21.9225 169.355 211.639 -161.946 152.89 279.365 PRESSAVG: 493400 11.3332 -48.1402 2.76301 -48.1402 -33.5587 42.4708 2.76301 42.4708 3.92556 GPRESSAVG: 493400 11.8683 -46.0231 2.28244 -50.1156 -32.647 42.2281 3.22937 40.9365 2.39728 TIMING: 493400 CPU: 1619.44, 0.00313107/step Wall: 1619.44, 0.00313106/step, 3.91957 hours remaining, 231.531250 MB of memory in use. ENERGY: 493400 3969.7401 20603.3654 14462.4402 243.8853 -203237.3579 2306.5707 0.0000 0.0000 51854.2842 -109797.0721 298.0073 -161651.3562 -109450.1417 298.7472 134.0032 158.9392 762186.1213 -6.1000 -6.1271 PRESSURE: 493600 -25.1218 103.432 17.859 103.431 39.224 162.548 17.8594 162.547 3.53545 GPRESSURE: 493600 86.4857 159.922 63.5489 111.598 0.00689865 99.0982 -47.1362 102.832 31.1454 PRESSAVG: 493600 8.70274 -49.1622 25.6691 -49.1622 -42.6669 27.6619 25.6691 27.662 -3.56465 GPRESSAVG: 493600 9.97353 -50.3031 25.459 -47.5045 -43.2972 29.2229 24.4111 26.274 -3.98889 TIMING: 493600 CPU: 1620.07, 0.00314247/step Wall: 1620.07, 0.00314247/step, 3.93367 hours remaining, 231.531250 MB of memory in use. ENERGY: 493600 3957.5439 20469.8821 14489.4718 262.5146 -203070.2026 2340.3080 0.0000 0.0000 51941.4985 -109608.9837 298.5085 -161550.4822 -109251.7941 298.8840 5.8792 39.2127 759602.4661 -12.5096 -12.4375 PRESSURE: 493800 -13.117 -1.02949 -168.086 -1.02884 156.148 -7.47004 -168.086 -7.46992 15.5795 GPRESSURE: 493800 2.40887 -55.5598 -155.735 -82.3243 230.129 -6.01121 -80.8372 119.271 20.2826 PRESSAVG: 493800 10.7525 -65.7524 -21.9141 -65.7524 -36.6534 -7.9023 -21.9141 -7.90237 4.21142 GPRESSAVG: 493800 9.05813 -64.7292 -20.6659 -68.537 -37.7117 -9.5186 -21.0036 -7.00958 6.63427 TIMING: 493800 CPU: 1620.7, 0.00314347/step Wall: 1620.7, 0.00314347/step, 3.93475 hours remaining, 231.531250 MB of memory in use. ENERGY: 493800 4024.6284 20378.1397 14450.8513 238.2254 -203177.7035 2347.2437 0.0000 0.0000 52312.1794 -109426.4355 300.6388 -161738.6150 -109054.6591 299.4257 52.8702 84.2736 760768.0811 -7.2298 -7.3398 PRESSURE: 494000 -48.4246 -1.13338 98.1107 -1.13352 5.68938 227.2 98.1103 227.2 -80.8311 GPRESSURE: 494000 1.67777 54.1835 105.604 -4.79397 66.4745 201.015 38.5928 179.387 -106.101 PRESSAVG: 494000 21.1568 33.2661 10.3172 33.2661 -4.75525 69.6475 10.3172 69.6475 3.69724 GPRESSAVG: 494000 20.4521 32.9782 9.15689 36.0424 -2.96558 68.6559 10.0706 68.9595 2.79815 TIMING: 494000 CPU: 1621.33, 0.00313124/step Wall: 1621.33, 0.00313124/step, 3.91926 hours remaining, 231.531250 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: 494000 3960.9475 20433.7967 14490.1440 246.4551 -203435.3754 2585.1629 0.0000 0.0000 52272.0876 -109446.7816 300.4084 -161718.8692 -109088.5874 299.8054 -41.1888 -12.6497 761679.0271 6.6996 6.7616 PRESSURE: 494200 -350.905 99.4372 170.231 99.437 130.004 3.25535 170.232 3.25444 -123.805 GPRESSURE: 494200 -291.693 -10.834 135.772 53.1749 157.988 107.386 156.691 -106.224 -121.586 PRESSAVG: 494200 50.174 10.6572 -21.9515 10.6572 -15.841 17.9669 -21.9515 17.9669 -10.3283 GPRESSAVG: 494200 50.1503 10.7761 -20.7109 11.0156 -15.2901 18.5774 -23.3023 18.7438 -10.4085 TIMING: 494200 CPU: 1621.95, 0.00312254/step Wall: 1621.95, 0.00312254/step, 3.9082 hours remaining, 231.531250 MB of memory in use. ENERGY: 494200 4017.4127 20526.5415 14482.0486 243.7025 -203075.0859 2280.9816 0.0000 0.0000 52068.9263 -109455.4727 299.2408 -161524.3990 -109098.1319 299.9165 -114.9021 -85.0971 761091.7336 8.0015 8.1506 PRESSURE: 494400 -121.061 -69.2585 -208.284 -69.2589 120.861 -149.242 -208.285 -149.242 46.3986 GPRESSURE: 494400 -79.9163 -68.1009 -153.964 -55.0335 82.0597 -139.538 -252.128 -53.8802 119.691 PRESSAVG: 494400 19.3315 -32.3774 -28.4821 -32.3773 -40.4627 -2.1147 -28.4821 -2.11481 8.41159 GPRESSAVG: 494400 19.8416 -32.1941 -28.2847 -34.2164 -42.0416 -1.62638 -31.5347 -1.48789 8.96749 TIMING: 494400 CPU: 1622.58, 0.00313088/step Wall: 1622.58, 0.00313088/step, 3.91846 hours remaining, 231.531250 MB of memory in use. ENERGY: 494400 4107.2187 20529.4068 14473.7486 247.3990 -203652.4376 2729.2757 0.0000 0.0000 52052.7800 -109512.6087 299.1480 -161565.3888 -109150.2475 299.1782 15.3993 40.6114 760209.7588 -4.2399 -4.4108 PRESSURE: 494600 320.139 -173.107 -241.808 -173.106 197.121 87.6958 -241.808 87.6959 151.535 GPRESSURE: 494600 454.195 -138.151 -267.996 -179.972 108.732 172.307 -191.065 -55.3894 163.088 PRESSAVG: 494600 24.9952 -35.1012 -5.77555 -35.1012 -31.4406 -10.1238 -5.77554 -10.1238 17.4688 GPRESSAVG: 494600 25.5906 -35.477 -9.48241 -33.4041 -31.0098 -10.239 -2.4691 -10.8989 16.3596 TIMING: 494600 CPU: 1623.2, 0.00312501/step Wall: 1623.2, 0.00312501/step, 3.91095 hours remaining, 231.531250 MB of memory in use. ENERGY: 494600 4003.7343 20660.8185 14476.6012 247.3646 -203586.1812 2717.0781 0.0000 0.0000 52071.9381 -109408.6464 299.2581 -161480.5845 -109053.7269 299.2225 222.9319 242.0050 759609.1254 3.6745 3.6468 PRESSURE: 494800 -114.861 -95.9773 337.911 -95.9769 -130.557 188.022 337.911 188.02 84.5327 GPRESSURE: 494800 -107.383 -37.3746 274.332 -146.625 6.67824 211.474 155.851 145.458 41.1633 PRESSAVG: 494800 2.52051 -30.2355 -47.5654 -30.2355 0.679523 9.77206 -47.5654 9.77203 39.5624 GPRESSAVG: 494800 2.44493 -32.3638 -46.1669 -30.0468 0.598547 10.8863 -47.1078 9.26599 39.8036 TIMING: 494800 CPU: 1623.83, 0.00314525/step Wall: 1623.83, 0.00314525/step, 3.9361 hours remaining, 231.531250 MB of memory in use. ENERGY: 494800 3977.1571 20423.8457 14443.6766 255.4916 -203096.9708 2483.2886 0.0000 0.0000 51826.5288 -109686.9825 297.8478 -161513.5112 -109325.2044 299.3949 -53.6285 -19.8473 759930.9034 14.2541 14.2824 PRESSURE: 495000 -100.987 -10.2519 -62.8528 -10.2514 -11.503 -60.6979 -62.8526 -60.6976 10.0913 GPRESSURE: 495000 -95.4287 -43.3383 -90.6294 91.3686 17.3961 -43.0093 96.8873 -23.4916 64.1278 PRESSAVG: 495000 81.8484 18.2098 12.2883 18.2098 -46.6291 12.7191 12.2882 12.719 -10.8999 GPRESSAVG: 495000 80.4164 19.837 11.7229 16.4804 -44.6154 12.0388 13.9792 11.2832 -11.2259 TIMING: 495000 CPU: 1624.46, 0.00313722/step Wall: 1624.46, 0.00313722/step, 3.92588 hours remaining, 231.531250 MB of memory in use. ENERGY: 495000 4044.4351 20541.6352 14475.6851 236.5264 -203331.6609 2636.6356 0.0000 0.0000 51785.9460 -109610.7975 297.6145 -161396.7435 -109255.9649 298.7525 -34.1330 -4.6349 760249.1198 8.1065 8.1917 PRESSURE: 495200 -317.716 -2.27005 -29.2172 -2.26924 -137.257 -176.052 -29.2161 -176.053 -419.012 GPRESSURE: 495200 -291.26 84.1508 28.8491 104.637 -131.268 -204.956 17.1122 -74.944 -377.795 PRESSAVG: 495200 25.8258 3.67269 3.26028 3.67263 -47.0998 -39.7036 3.26028 -39.7036 -8.5309 GPRESSAVG: 495200 27.006 3.64627 4.02358 3.63851 -48.8782 -38.5623 1.6499 -39.5384 -7.83782 TIMING: 495200 CPU: 1625.08, 0.00311488/step Wall: 1625.08, 0.00311488/step, 3.89775 hours remaining, 231.531250 MB of memory in use. ENERGY: 495200 3998.6901 20444.9245 14444.9407 237.0612 -203318.7261 2348.7193 0.0000 0.0000 52055.7459 -109788.6444 299.1651 -161844.3903 -109433.1973 299.1306 -291.3284 -266.7745 760234.5603 -9.9350 -9.9033 PRESSURE: 495400 8.414 -30.5634 79.0478 -30.563 56.55 -185.68 79.0474 -185.68 -112.593 GPRESSURE: 495400 107.88 -26.2473 52.5666 -36.7658 -35.596 -114.597 -6.13005 -191.785 -21.739 PRESSAVG: 495400 11.8705 17.7966 -25.6223 17.7966 -24.8736 5.14661 -25.6223 5.14671 6.99052 GPRESSAVG: 495400 11.8361 18.1894 -26.1028 17.4843 -25.6924 4.11356 -24.871 4.71208 7.88509 TIMING: 495400 CPU: 1625.7, 0.00310341/step Wall: 1625.7, 0.00310341/step, 3.88323 hours remaining, 231.531250 MB of memory in use. ENERGY: 495400 3954.8674 20434.5009 14389.4436 260.5458 -203648.2274 2692.4812 0.0000 0.0000 52162.1539 -109754.2346 299.7766 -161916.3886 -109391.8131 298.6784 -15.8763 16.8482 761138.9193 -2.0042 -1.9904 PRESSURE: 495600 121.915 -65.6371 -32.5602 -65.637 -156.389 79.7701 -32.5602 79.77 46.3716 GPRESSURE: 495600 131.668 -98.9854 -126.274 -30.1221 -132.723 88.5351 -9.97042 43.2338 88.8744 PRESSAVG: 495600 20.1469 -37.3594 48.5381 -37.3594 -14.1397 22.2192 48.538 22.2192 7.82418 GPRESSAVG: 495600 21.0832 -36.8915 48.2103 -37.2508 -13.9261 24.0799 47.4581 23.1159 6.74948 TIMING: 495600 CPU: 1626.33, 0.00311267/step Wall: 1626.33, 0.00311267/step, 3.89464 hours remaining, 231.531250 MB of memory in use. ENERGY: 495600 3978.0444 20587.9739 14513.8182 270.9027 -203369.3049 2345.1793 0.0000 0.0000 52071.0920 -109602.2943 299.2533 -161673.3863 -109241.7631 299.2245 3.9660 29.2732 760960.5658 4.6105 4.6355 PRESSURE: 495800 -2.66814 -90.4507 250.507 -90.4496 117.438 -16.9031 250.508 -16.9022 -246.08 GPRESSURE: 495800 7.45251 -147.296 259.112 -114.312 153.41 -78.574 314.11 41.5451 -208.295 PRESSAVG: 495800 47.1873 16.4281 -1.3856 16.428 -26.7742 -10.2395 -1.38566 -10.2395 -9.54225 GPRESSAVG: 495800 45.6253 15.8342 -0.313819 13.6052 -26.0843 -12.7672 -1.03775 -10.2284 -8.52989 TIMING: 495800 CPU: 1626.95, 0.00310704/step Wall: 1626.95, 0.00310704/step, 3.88743 hours remaining, 231.531250 MB of memory in use. ENERGY: 495800 3990.5479 20356.5087 14534.4219 248.1154 -203133.2457 2470.7360 0.0000 0.0000 51920.3868 -109612.5291 298.3872 -161532.9159 -109242.7747 299.2297 -43.7700 -15.8110 761386.6638 3.6236 3.6704 PRESSURE: 496000 277.288 185.327 118.377 185.326 -296.483 -40.0846 118.378 -40.0851 -383.86 GPRESSURE: 496000 223.692 228.389 165.982 152.578 -273.753 -40.9546 112.373 10.46 -264.362 PRESSAVG: 496000 -22.0079 29.5703 5.8936 29.5702 23.5257 -40.6331 5.89362 -40.633 0.0683135 GPRESSAVG: 496000 -21.7943 28.7896 6.13574 34.105 22.7198 -39.5238 5.09571 -40.1086 0.61111 TIMING: 496000 CPU: 1627.57, 0.00313085/step Wall: 1627.57, 0.00313085/step, 3.91704 hours remaining, 231.531250 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: 496000 3977.2368 20492.9871 14486.6969 241.6959 -202645.2322 1975.4137 0.0000 0.0000 51746.5184 -109724.6833 297.3880 -161471.2017 -109371.6716 298.7750 -134.3517 -104.8077 761573.9948 0.5287 0.5122 PRESSURE: 496200 -4.16987 135.781 -188.904 135.781 -147.275 55.5995 -188.905 55.5998 -161.87 GPRESSURE: 496200 -0.180335 85.3901 -107.943 157.362 -173.04 32.3501 -153.049 84.3404 -61.9837 PRESSAVG: 496200 40.7341 -7.23683 -11.0438 -7.23681 -37.2468 23.662 -11.0438 23.6619 4.47045 GPRESSAVG: 496200 41.5365 -6.80147 -10.8725 -8.14072 -36.8553 23.816 -10.5739 24.5484 3.20938 TIMING: 496200 CPU: 1628.2, 0.00312794/step Wall: 1628.2, 0.00312794/step, 3.91322 hours remaining, 231.531250 MB of memory in use. ENERGY: 496200 3974.1951 20513.8931 14486.3851 245.9461 -202940.7308 2326.0993 0.0000 0.0000 51690.2343 -109703.9779 297.0645 -161394.2122 -109356.9207 299.0188 -104.4383 -78.4014 761780.5895 2.6526 2.6302 LDB: ============= START OF LOAD BALANCING ============== 1640.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1640.62 LDB: =============== DONE WITH MIGRATION ================ 1640.62 LDB: ============= START OF LOAD BALANCING ============== 1640.94 LDB: Largest compute 7049 load 0.036334 is 18.6% of average load 0.195223 LDB: Average compute 0.004390 is 2.2% of average load 0.195223 LDB: TIME 1640.94 LOAD: AVG 0.195223 MAX 0.214892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.531 MB LDB: TIME 1640.94 LOAD: AVG 0.195223 MAX 0.214892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: TIME 1640.94 LOAD: AVG 0.195223 MAX 0.214892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: ============== END OF LOAD BALANCING =============== 1640.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1640.95 PRESSURE: 496400 18.4346 -64.8243 142.626 -64.8229 -162.742 -67.6203 142.626 -67.6194 -163.156 GPRESSURE: 496400 -23.8169 -85.6401 138.31 8.35054 -158.914 -44.1916 54.373 -129.355 -52.5058 PRESSAVG: 496400 43.8117 22.5831 58.3759 22.5831 -33.1955 -8.46851 58.3758 -8.46852 11.2887 GPRESSAVG: 496400 43.0392 24.9347 58.616 20.9339 -32.5335 -9.22801 57.5917 -9.71325 11.1237 TIMING: 496400 CPU: 1628.84, 0.00321245/step Wall: 1628.84, 0.00321245/step, 4.01877 hours remaining, 232.355469 MB of memory in use. ENERGY: 496400 3913.5049 20466.6899 14425.9488 241.5556 -202735.1043 2205.7124 0.0000 0.0000 51933.0543 -109548.6385 298.4600 -161481.6927 -109186.4086 298.7940 -102.4878 -78.4121 762948.7836 7.3016 7.2098 PRESSURE: 496600 -86.275 74.3381 -296.983 74.338 143.327 -23.39 -296.982 -23.3892 161.092 GPRESSURE: 496600 2.5274 16.3369 -247.606 -18.5092 89.6788 -20.621 -244.411 38.7465 216.819 PRESSAVG: 496600 49.2434 -2.87765 -17.156 -2.87766 -61.1442 12.8286 -17.1559 12.8285 -27.8922 GPRESSAVG: 496600 49.0219 -3.1308 -19.1091 -1.67955 -61.9983 14.3405 -17.2866 13.4546 -26.7307 TIMING: 496600 CPU: 1629.47, 0.0031385/step Wall: 1629.47, 0.0031385/step, 3.92608 hours remaining, 232.554688 MB of memory in use. ENERGY: 496600 3895.8991 20402.0042 14525.6464 243.9147 -203098.1535 2296.2167 0.0000 0.0000 52240.7113 -109493.7611 300.2281 -161734.4724 -109126.6533 299.4892 72.7146 103.0084 760756.9057 -13.2644 -13.2357 PRESSURE: 496800 -109.051 204.387 51.9002 204.387 -277.68 56.1468 51.9006 56.1459 -165.854 GPRESSURE: 496800 -30.2754 287.223 17.4013 161.497 -273.756 20.7775 -30.1041 183.096 -176.396 PRESSAVG: 496800 -2.24648 23.7577 -55.3813 23.7577 -20.6614 42.582 -55.3814 42.582 11.3139 GPRESSAVG: 496800 -1.5651 22.8902 -56.3352 25.0564 -20.881 43.0107 -52.2974 41.0775 10.7819 TIMING: 496800 CPU: 1630.1, 0.00315435/step Wall: 1630.1, 0.00315435/step, 3.94574 hours remaining, 232.554688 MB of memory in use. ENERGY: 496800 3970.8612 20530.2494 14422.8477 263.9818 -203197.3485 2439.5623 0.0000 0.0000 52085.1993 -109484.6468 299.3344 -161569.8461 -109128.7885 298.9284 -184.1948 -160.1425 762019.2548 -3.8647 -3.8881 PRESSURE: 497000 145.5 -72.2939 332.492 -72.2949 -286.928 70.1446 332.491 70.1443 -181.314 GPRESSURE: 497000 200.154 56.4631 351.189 -86.7007 -245.956 59.857 317.059 40.4219 -201.563 PRESSAVG: 497000 33.5564 -7.37992 23.6624 -7.37994 -18.3832 -16.3486 23.6624 -16.3487 -0.494453 GPRESSAVG: 497000 31.9804 -7.37453 25.3117 -9.25789 -17.6666 -17.3332 20.1748 -17.035 -0.162183 TIMING: 497000 CPU: 1630.73, 0.00315285/step Wall: 1630.73, 0.00315285/step, 3.94369 hours remaining, 232.554688 MB of memory in use. ENERGY: 497000 4008.9624 20444.3755 14465.8182 237.6915 -203232.5325 2322.5898 0.0000 0.0000 52183.2142 -109569.8810 299.8976 -161753.0951 -109215.2632 299.2017 -107.5806 -82.4551 760019.4370 4.8929 4.7172 PRESSURE: 497200 29.5357 80.2814 -256.829 80.281 -17.2526 -0.370096 -256.83 -0.370367 -412.646 GPRESSURE: 497200 -0.18524 69.8373 -167.461 102.846 28.7207 -58.8034 -144.316 -46.842 -344.591 PRESSAVG: 497200 39.927 8.12024 -17.3557 8.12025 -1.29878 -28.695 -17.3556 -28.695 -5.08876 GPRESSAVG: 497200 41.6615 8.73331 -17.8656 9.43173 -1.08977 -29.0153 -16.325 -28.0088 -6.60151 TIMING: 497200 CPU: 1631.35, 0.00311873/step Wall: 1631.35, 0.00311873/step, 3.90084 hours remaining, 232.554688 MB of memory in use. ENERGY: 497200 3998.1282 20381.7988 14502.7277 237.3739 -202997.6152 2215.9131 0.0000 0.0000 52200.6663 -109461.0073 299.9979 -161661.6736 -109093.7137 299.2444 -133.4544 -105.3520 760502.1923 11.1798 11.3234 PRESSURE: 497400 43.544 -101.901 -88.688 -101.901 68.7804 -59.5875 -88.6885 -59.5875 110.532 GPRESSURE: 497400 139.763 -118.574 -148.516 -85.8901 77.3234 -39.0486 -130.995 -45.8826 109.51 PRESSAVG: 497400 3.44185 12.1715 -38.8751 12.1716 22.9634 -19.544 -38.8751 -19.544 -4.92749 GPRESSAVG: 497400 2.96908 12.0253 -37.6415 10.3761 22.8416 -21.4407 -38.4021 -17.2876 -4.34192 TIMING: 497400 CPU: 1631.98, 0.00312254/step Wall: 1631.98, 0.00312254/step, 3.90542 hours remaining, 232.554688 MB of memory in use. ENERGY: 497400 3953.2147 20341.9947 14491.6174 238.6312 -202821.1018 2263.2958 0.0000 0.0000 52047.1906 -109485.1573 299.1159 -161532.3479 -109119.9643 299.4373 74.2856 108.8653 759032.4201 7.1593 7.1563 PRESSURE: 497600 276.651 148.928 134.767 148.928 201.538 -93.1337 134.767 -93.1334 55.9643 GPRESSURE: 497600 358.282 86.9147 113.73 94.4753 198.746 -141.492 130.052 -138.365 71.0641 PRESSAVG: 497600 -66.2354 -40.5269 -53.1948 -40.5268 39.1803 3.95544 -53.1949 3.95541 9.30102 GPRESSAVG: 497600 -65.0776 -41.1279 -54.0881 -40.45 39.2946 7.25926 -53.1621 2.19888 7.92308 TIMING: 497600 CPU: 1632.6, 0.00312068/step Wall: 1632.6, 0.00312068/step, 3.90293 hours remaining, 232.554688 MB of memory in use. ENERGY: 497600 3947.2736 20512.3751 14508.6059 255.2537 -203332.1433 2514.0630 0.0000 0.0000 52091.7743 -109502.7976 299.3721 -161594.5720 -109144.1313 299.2836 178.0513 209.3640 758840.0391 -5.9180 -5.9533 PRESSURE: 497800 -387.454 -49.5568 -65.2672 -49.5566 -310.717 213.455 -65.2673 213.453 -92.5951 GPRESSURE: 497800 -369.64 -118.755 -85.9086 -90.4882 -198.927 122.412 -37.8788 86.2578 -143.468 PRESSAVG: 497800 -33.7127 25.2664 -44.9507 25.2663 4.71224 53.8038 -44.9508 53.8038 -4.62845 GPRESSAVG: 497800 -35.2989 25.9776 -44.091 27.1896 4.90992 52.0241 -44.2816 54.3452 -3.54344 TIMING: 497800 CPU: 1633.23, 0.00312417/step Wall: 1633.23, 0.00312417/step, 3.90713 hours remaining, 232.554688 MB of memory in use. ENERGY: 497800 3988.1145 20398.2980 14431.5579 245.2335 -202973.0834 2245.3887 0.0000 0.0000 52222.4595 -109442.0314 300.1232 -161664.4909 -109081.4475 299.5233 -263.5888 -237.3450 761273.5367 -11.2096 -11.3108 PRESSURE: 498000 96.7092 -171.641 -45.8873 -171.641 22.0217 171.714 -45.8872 171.714 487.409 GPRESSURE: 498000 134.024 -77.5227 8.55954 -159.946 130.557 90.7125 -73.1268 138.307 425.904 PRESSAVG: 498000 18.4504 -7.64658 -12.2996 -7.64656 -15.5861 2.28812 -12.2996 2.28811 3.41799 GPRESSAVG: 498000 18.4724 -6.4075 -12.8172 -9.93725 -15.5704 2.71624 -13.0283 3.24165 3.06209 TIMING: 498000 CPU: 1633.85, 0.00312763/step Wall: 1633.85, 0.00312763/step, 3.91128 hours remaining, 232.554688 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: 498000 3974.0818 20630.1404 14474.1547 250.8624 -202993.2044 2329.0762 0.0000 0.0000 52047.2043 -109287.6845 299.1160 -161334.8888 -108937.9022 299.6344 202.0465 230.1616 761048.5453 2.0941 1.9880 PRESSURE: 498200 -426.686 250.488 -74.3401 250.488 -274.385 128.001 -74.3403 128 -53.2363 GPRESSURE: 498200 -350.9 197.778 -144.576 223.866 -312.795 93.9583 -136.427 144.213 -13.3842 PRESSAVG: 498200 -9.38651 -1.22777 -26.5309 -1.22778 32.5692 15.3043 -26.5309 15.3043 14.6983 GPRESSAVG: 498200 -8.93201 -2.19604 -27.4236 -0.1989 31.9587 15.6289 -26.8845 15.8442 14.5917 TIMING: 498200 CPU: 1634.48, 0.00314625/step Wall: 1634.48, 0.00314625/step, 3.93438 hours remaining, 232.554688 MB of memory in use. ENERGY: 498200 3970.3954 20507.0809 14437.5660 246.3657 -203245.6246 2325.6457 0.0000 0.0000 52270.5571 -109488.0139 300.3996 -161758.5709 -109122.4508 299.6904 -251.4357 -225.6932 761687.3010 12.6270 12.5395 PRESSURE: 498400 -14.7799 -20.3613 17.3202 -20.3606 -339.461 63.0815 17.3196 63.0799 -500.616 GPRESSURE: 498400 -162.863 -56.5461 -14.2583 -79.2641 -166.626 77.8754 12.4009 6.26849 -444.559 PRESSAVG: 498400 31.8696 -52.7304 -41.3824 -52.7304 -31.1127 -8.17026 -41.3824 -8.1702 -6.80904 GPRESSAVG: 498400 30.2323 -52.1055 -40.9182 -55.2718 -30.5603 -8.4008 -40.7739 -8.96469 -6.11281 TIMING: 498400 CPU: 1635.11, 0.00312498/step Wall: 1635.11, 0.00312498/step, 3.90762 hours remaining, 232.554688 MB of memory in use. ENERGY: 498400 3992.8124 20626.8570 14481.5904 260.6173 -202955.4159 2052.3895 0.0000 0.0000 52140.9272 -109400.2222 299.6546 -161541.1494 -109037.6381 299.5938 -284.9522 -258.0159 760099.2815 -2.0174 -2.1470 PRESSURE: 498600 101.797 -197.428 181.977 -197.428 34.5844 -200.727 181.978 -200.726 -109.154 GPRESSURE: 498600 130.305 -147.551 204.412 -114.112 42.3397 -165.294 278.426 -241.018 -40.2909 PRESSAVG: 498600 5.6964 -22.0935 -22.2559 -22.0935 -0.537602 -3.90707 -22.2559 -3.90706 8.98324 GPRESSAVG: 498600 7.52353 -22.4794 -22.7177 -21.7439 -1.29132 -4.10679 -22.3723 -4.44603 8.15678 TIMING: 498600 CPU: 1635.73, 0.0031177/step Wall: 1635.73, 0.0031177/step, 3.89834 hours remaining, 232.554688 MB of memory in use. ENERGY: 498600 3916.0090 20503.9663 14485.0533 252.5891 -203119.4922 2242.1021 0.0000 0.0000 52274.3604 -109445.4121 300.4215 -161719.7725 -109083.4361 300.1675 9.0757 44.1180 760101.4087 4.7140 4.7963 PRESSURE: 498800 -497.811 -164.629 187.975 -164.628 -391.153 104.887 187.976 104.886 -298.373 GPRESSURE: 498800 -446.17 -155.081 205.762 -158.204 -344.44 72.1744 121.494 129.744 -286.66 PRESSAVG: 498800 2.9227 -42.5876 -3.9769 -42.5876 -18.3458 24.2202 -3.97692 24.2202 -6.6673 GPRESSAVG: 498800 1.79405 -42.6697 -1.52309 -41.7178 -17.0113 25.6832 -4.17661 25.5025 -6.87981 TIMING: 498800 CPU: 1636.36, 0.00314186/step Wall: 1636.36, 0.00314186/step, 3.92837 hours remaining, 232.554688 MB of memory in use. ENERGY: 498800 3982.2791 20523.0486 14506.6331 270.5125 -203130.0467 2332.9510 0.0000 0.0000 52077.0075 -109437.6149 299.2873 -161514.6224 -109072.9646 299.6760 -395.7793 -359.0902 761476.7808 -7.3635 -7.3657 PRESSURE: 499000 170.078 -12.4237 -193.3 -12.4241 60.6911 -54.6902 -193.3 -54.69 273.063 GPRESSURE: 499000 117.699 -52.9161 -210.587 -6.72924 280.955 -32.9694 -78.1106 61.462 198.112 PRESSAVG: 499000 -46.2945 -30.789 21.9545 -30.789 43.1163 -40.2834 21.9544 -40.2834 -8.07142 GPRESSAVG: 499000 -46.1039 -31.0905 20.9296 -31.278 42.8622 -40.3316 23.3786 -40.8562 -7.79674 TIMING: 499000 CPU: 1636.98, 0.00311773/step Wall: 1636.98, 0.00311773/step, 3.89802 hours remaining, 232.554688 MB of memory in use. ENERGY: 499000 3912.2099 20533.1868 14376.8161 242.5616 -203262.8254 2448.8298 0.0000 0.0000 52360.1890 -109389.0321 300.9147 -161749.2211 -109028.2055 299.6066 167.9443 198.9217 760367.9167 -3.7499 -3.6795 PRESSURE: 499200 -73.0456 -67.3094 138.612 -67.3083 -234.982 169.895 138.612 169.895 87.3178 GPRESSURE: 499200 -7.85773 -57.3806 177.267 -58.452 -224.151 198.536 11.0526 140.715 88.3533 PRESSAVG: 499200 -30.6586 -20.6665 4.19059 -20.6665 32.0977 -38.4263 4.1906 -38.4264 0.656989 GPRESSAVG: 499200 -29.1176 -21.3803 3.4577 -21.0604 30.3714 -38.3211 1.48699 -40.3726 1.03957 TIMING: 499200 CPU: 1637.61, 0.00311717/step Wall: 1637.61, 0.00311717/step, 3.89715 hours remaining, 232.554688 MB of memory in use. ENERGY: 499200 4017.7405 20653.5200 14426.4223 223.8742 -203369.6793 2270.2149 0.0000 0.0000 52260.3271 -109517.5802 300.3408 -161777.9073 -109159.5904 300.0791 -73.5699 -47.8851 759128.8409 0.6987 0.7644 PRESSURE: 499400 -50.1555 -6.55757 -93.9459 -6.55841 -339.88 119.974 -93.9455 119.974 -345.851 GPRESSURE: 499400 -150.642 -103.893 -44.0868 49.6476 -273.486 112.748 -159.232 89.7904 -254.15 PRESSAVG: 499400 48.2439 36.4103 -22.2845 36.4104 -59.082 17.2302 -22.2845 17.2302 25.9591 GPRESSAVG: 499400 47.2911 37.8315 -21.9105 35.9725 -58.408 15.9485 -21.9522 17.3547 26.3638 TIMING: 499400 CPU: 1638.23, 0.00313176/step Wall: 1638.23, 0.00313176/step, 3.91522 hours remaining, 232.554688 MB of memory in use. ENERGY: 499400 3997.6122 20472.4666 14430.7046 245.3272 -203082.2107 2311.8609 0.0000 0.0000 51952.6332 -109671.6060 298.5725 -161624.2392 -109303.5671 299.5083 -245.2953 -226.0926 762924.9782 5.0403 5.0823 PRESSURE: 499600 -64.3158 198.064 -195.867 198.064 163.001 -152.228 -195.867 -152.229 -803.81 GPRESSURE: 499600 -83.4142 5.02314 -175.078 33.2193 178.876 -95.6344 -207.957 -25.87 -730.143 PRESSAVG: 499600 23.2751 43.371 -15.6013 43.3711 -3.6607 15.1034 -15.6013 15.1033 10.3884 GPRESSAVG: 499600 23.4522 41.5862 -16.7462 44.3475 -3.51906 15.5196 -13.9734 18.9027 9.73361 TIMING: 499600 CPU: 1638.86, 0.00313884/step Wall: 1638.86, 0.00313884/step, 3.9239 hours remaining, 232.554688 MB of memory in use. ENERGY: 499600 3999.2638 20565.7304 14396.2973 238.0297 -203350.9100 2348.2378 0.0000 0.0000 51927.0624 -109876.2885 298.4255 -161803.3509 -109517.7762 299.0339 -235.0415 -211.5604 759674.4406 10.0009 9.8889 PRESSURE: 499800 -55.6962 -71.5852 28.0716 -71.5857 285.891 206.439 28.0718 206.439 330.283 GPRESSURE: 499800 39.8573 -40.9976 -60.5236 -58.4167 269.815 175.302 162.923 144.742 358.158 PRESSAVG: 499800 -3.82276 2.26598 -43.7006 2.26605 22.1762 -25.6277 -43.7006 -25.6278 18.8668 GPRESSAVG: 499800 -3.19808 1.34225 -42.1636 0.785634 22.7146 -26.8245 -44.746 -25.8197 18.1815 TIMING: 499800 CPU: 1639.48, 0.00311941/step Wall: 1639.48, 0.00311941/step, 3.89943 hours remaining, 232.554688 MB of memory in use. ENERGY: 499800 3934.7901 20503.4958 14400.5893 256.7272 -203527.1581 2818.9371 0.0000 0.0000 51838.2525 -109774.3662 297.9151 -161612.6186 -109408.8396 299.2008 186.8261 222.6099 760366.8821 12.4068 12.5660 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.014 seconds, 232.555 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.005 seconds, 232.555 MB of memory in use PRESSURE: 500000 -63.6589 156.705 -60.8137 156.705 -280.632 8.89476 -60.8133 8.89449 -137.893 GPRESSURE: 500000 -65.42 125.47 -49.3421 182.462 -198.81 -51.3415 14.1479 18.015 -101.93 PRESSAVG: 500000 22.9169 -36.3832 -20.1655 -36.3832 -41.4387 25.6205 -20.1656 25.6205 -6.34294 GPRESSAVG: 500000 20.8739 -35.7335 -21.4257 -34.3863 -40.0883 25.8061 -20.3093 24.3825 -5.49406 TIMING: 500000 CPU: 1640.13, 0.00323003/step Wall: 1640.13, 0.00323003/step, 4.03754 hours remaining, 232.554688 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: 500000 3999.6068 20447.5657 14445.3991 248.8025 -203629.7275 2522.0799 0.0000 0.0000 51994.6998 -109971.5736 298.8143 -161966.2735 -109604.5374 299.3099 -160.7277 -122.0532 761344.9103 -8.2883 -8.2361 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 PRESSURE: 500200 -210.992 15.0836 -65.2217 15.0843 -290.029 166.638 -65.2223 166.638 -62.491 GPRESSURE: 500200 -58.2952 7.2258 -30.3136 9.14199 -305.044 248.15 -17.9122 150.758 -116.695 PRESSAVG: 500200 15.2892 20.9701 17.8111 20.9701 -68.1664 14.0654 17.8111 14.0655 -4.80351 GPRESSAVG: 500200 15.7405 21.4887 18.3014 19.6662 -68.8783 14.5418 18.8802 12.8197 -5.28834 TIMING: 500200 CPU: 1640.76, 0.00313489/step Wall: 1640.76, 0.00313489/step, 3.91844 hours remaining, 232.554688 MB of memory in use. ENERGY: 500200 4051.7932 20416.1903 14352.5817 243.7342 -203137.0156 2334.9057 0.0000 0.0000 51909.4206 -109828.3900 298.3242 -161737.8106 -109456.9823 298.7347 -187.8376 -160.0114 760439.6825 -19.2269 -19.4754 LDB: ============= START OF LOAD BALANCING ============== 1653.18 LDB: ============== END OF LOAD BALANCING =============== 1653.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1653.18 LDB: ============= START OF LOAD BALANCING ============== 1653.49 LDB: Largest compute 7049 load 0.036140 is 18.5% of average load 0.195269 LDB: Average compute 0.004388 is 2.2% of average load 0.195269 LDB: TIME 1653.5 LOAD: AVG 0.195269 MAX 0.215027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.137 MB LDB: TIME 1653.5 LOAD: AVG 0.195269 MAX 0.215027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: TIME 1653.5 LOAD: AVG 0.195269 MAX 0.215027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: ============== END OF LOAD BALANCING =============== 1653.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1653.5 PRESSURE: 500400 -107.431 -21.1531 68.2284 -21.1523 -395.042 168.364 68.2291 168.364 -32.632 GPRESSURE: 500400 -59.0775 5.49461 109.714 -105.517 -368.743 255.011 22.9363 86.4087 -23.5525 PRESSAVG: 500400 7.33654 -20.2838 6.52665 -20.2838 10.8096 25.7568 6.52669 25.7567 11.1553 GPRESSAVG: 500400 6.9203 -21.4586 7.69119 -20.0475 10.8643 25.7898 5.48494 25.7249 11.8575 TIMING: 500400 CPU: 1641.4, 0.00319175/step Wall: 1641.4, 0.00319175/step, 3.98933 hours remaining, 231.328125 MB of memory in use. ENERGY: 500400 3981.7171 20620.7878 14478.9066 224.3471 -203221.4295 2112.3242 0.0000 0.0000 52005.6547 -109797.6919 298.8772 -161803.3467 -109436.2365 299.0988 -178.3683 -150.4577 759388.7169 9.7671 9.8807 PRESSURE: 500600 106.069 -54.2981 33.0576 -54.2981 -5.99306 -150.37 33.0578 -150.372 231.115 GPRESSURE: 500600 134.814 -97.6881 -9.48573 -57.0703 37.4818 -232.249 8.26718 -40.8958 237.291 PRESSAVG: 500600 43.4774 5.19517 -10.8991 5.19516 -38.9856 -27.1245 -10.8991 -27.1245 -8.68388 GPRESSAVG: 500600 44.0092 3.94187 -13.3216 5.98614 -38.3771 -26.7708 -10.2585 -25.3178 -9.46078 TIMING: 500600 CPU: 1642.02, 0.00311664/step Wall: 1642.02, 0.00311664/step, 3.89528 hours remaining, 231.328125 MB of memory in use. ENERGY: 500600 3992.6680 20340.5719 14450.3901 246.9517 -203716.2762 2671.1329 0.0000 0.0000 52310.2706 -109704.2910 300.6278 -162014.5616 -109333.8039 299.1644 110.3968 136.5289 759644.6509 -1.3974 -1.2762 PRESSURE: 500800 -330.102 35.773 -48.2936 35.7745 -149.6 18.5465 -48.2932 18.547 63.5188 GPRESSURE: 500800 -181.27 37.6086 -26.4101 17.7333 -180.488 -49.0262 -100.359 103.612 45.6317 PRESSAVG: 500800 46.6622 -18.1144 -28.8212 -18.1145 -19.9808 -3.01556 -28.8212 -3.01555 -6.00918 GPRESSAVG: 500800 46.5651 -16.9256 -26.3647 -18.9758 -20.7313 -3.51366 -29.6597 -4.45919 -4.944 TIMING: 500800 CPU: 1642.64, 0.00311681/step Wall: 1642.64, 0.00311681/step, 3.89532 hours remaining, 231.328125 MB of memory in use. ENERGY: 500800 3963.5059 20560.4189 14474.2035 265.0798 -203198.9628 2272.7972 0.0000 0.0000 51807.8682 -109855.0893 297.7405 -161662.9575 -109486.1588 299.1150 -138.7280 -105.3752 758943.2292 6.8907 6.9633 PRESSURE: 501000 330.724 -2.44507 -194.763 -2.44506 -156.364 -75.7148 -194.763 -75.7158 3.15527 GPRESSURE: 501000 221.951 -25.068 -111.157 13.2779 -17.8712 -133.768 -62.7639 -87.87 67.0152 PRESSAVG: 501000 60.2338 20.8862 -33.9699 20.8862 -59.1852 0.621915 -33.9698 0.621959 16.9886 GPRESSAVG: 501000 59.1062 22.4267 -33.3227 19.8386 -57.5459 0.851186 -34.5387 0.367665 16.2865 TIMING: 501000 CPU: 1643.27, 0.00311509/step Wall: 1643.27, 0.00311509/step, 3.893 hours remaining, 231.328125 MB of memory in use. ENERGY: 501000 3901.6964 20358.7544 14460.1429 254.7531 -203367.1110 2380.7242 0.0000 0.0000 52369.8379 -109641.2021 300.9702 -162011.0401 -109269.1668 299.1431 59.1717 90.3650 757200.1958 6.0124 5.9489 PRESSURE: 501200 -83.0832 57.9359 -138.019 57.9359 -196.713 -129.72 -138.018 -129.722 -113.489 GPRESSURE: 501200 -95.8564 52.0561 -36.9415 73.5692 -87.6318 -133.686 -113.342 -108.323 -108.272 PRESSAVG: 501200 49.0063 -20.8805 1.36318 -20.8805 -24.932 3.41782 1.3632 3.41766 13.2944 GPRESSAVG: 501200 50.089 -20.9386 -0.304447 -19.9514 -25.7101 3.42972 2.32604 2.26841 13.227 TIMING: 501200 CPU: 1643.89, 0.00312583/step Wall: 1643.89, 0.00312583/step, 3.90625 hours remaining, 231.328125 MB of memory in use. ENERGY: 501200 3979.9571 20529.1154 14433.1366 268.3483 -203268.0300 2177.4599 0.0000 0.0000 52416.8952 -109463.1174 301.2406 -161880.0125 -109096.7037 299.8933 -131.0954 -97.2533 757172.8489 12.4562 12.5353 PRESSURE: 501400 163.22 60.7244 -231.068 60.7252 -137.039 91.2497 -231.068 91.2495 146.236 GPRESSURE: 501400 206.929 138.288 -223.643 99.0075 -60.2466 40.3794 -173.181 -31.6508 101.852 PRESSAVG: 501400 65.6448 -35.5164 5.19287 -35.5165 -56.0045 -12.5006 5.19285 -12.5007 1.87096 GPRESSAVG: 501400 64.7045 -34.6519 6.42625 -35.2877 -55.4139 -12.0751 6.10837 -11.7076 2.28256 TIMING: 501400 CPU: 1644.52, 0.00313599/step Wall: 1644.52, 0.00313599/step, 3.91877 hours remaining, 231.328125 MB of memory in use. ENERGY: 501400 3934.9831 20540.8234 14463.7839 260.3993 -203413.1415 2377.3927 0.0000 0.0000 52063.9281 -109771.8311 299.2121 -161835.7592 -109407.2026 299.6293 57.4723 82.8447 758804.3349 3.8371 3.8577 PRESSURE: 501600 331.008 -245.882 -130.568 -245.881 62.4534 -52.5285 -130.568 -52.529 271.416 GPRESSURE: 501600 273.007 -187.099 -69.1626 -168.469 130.354 54.6945 -146.163 -146.495 343.585 PRESSAVG: 501600 38.4111 -46.6708 -10.6835 -46.6708 25.8643 17.152 -10.6834 17.152 1.75139 GPRESSAVG: 501600 38.1692 -47.8695 -11.5085 -46.651 25.2111 15.7199 -10.7788 17.1168 2.25713 TIMING: 501600 CPU: 1645.15, 0.00314836/step Wall: 1645.15, 0.00314836/step, 3.93405 hours remaining, 231.328125 MB of memory in use. ENERGY: 501600 3907.5049 20614.9395 14459.1162 258.1720 -203462.8397 2513.1629 0.0000 0.0000 51927.3396 -109782.6046 298.4271 -161709.9442 -109437.1873 299.1541 221.6257 248.9821 758850.5206 22.0089 21.8792 PRESSURE: 501800 286.285 20.2686 370.431 20.269 -204.002 135.646 370.432 135.645 -104.118 GPRESSURE: 501800 366.507 88.4028 394.717 40.0309 -202.924 211.997 425.534 98.6958 -111.158 PRESSAVG: 501800 31.0744 -52.8566 9.97443 -52.8566 -0.427826 78.0154 9.97448 78.0154 -16.1464 GPRESSAVG: 501800 31.5552 -50.2416 9.67372 -54.2366 0.177696 79.8604 9.71019 78.995 -17.0892 TIMING: 501800 CPU: 1645.77, 0.00313255/step Wall: 1645.77, 0.00313255/step, 3.91412 hours remaining, 231.328125 MB of memory in use. ENERGY: 501800 3879.5128 20508.4607 14518.2437 239.3866 -203233.3895 2500.5103 0.0000 0.0000 52209.7902 -109377.4852 300.0504 -161587.2754 -109015.0678 299.5650 -7.2784 17.4751 758994.3793 4.8334 4.8812 PRESSURE: 502000 127.131 -136.256 -18.3817 -136.255 -179.585 236.593 -18.3827 236.593 -63.285 GPRESSURE: 502000 151.875 -296.022 14.5335 -117.568 -231.009 248.188 17.5773 97.9035 70.5526 PRESSAVG: 502000 20.5183 -24.4359 64.5168 -24.4358 -4.9551 -11.068 64.5167 -11.0681 -7.87144 GPRESSAVG: 502000 20.6424 -27.44 64.0368 -20.5134 -4.84458 -11.6612 64.2778 -13.1425 -8.1006 TIMING: 502000 CPU: 1646.4, 0.00313091/step Wall: 1646.4, 0.00313091/step, 3.91189 hours remaining, 231.328125 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: 502000 3981.7601 20540.2986 14509.4108 239.2332 -203420.5365 2578.5014 0.0000 0.0000 52311.9159 -109259.4165 300.6373 -161571.3324 -108903.6021 299.7377 -38.5797 -2.8604 758780.8903 2.5639 2.5658 PRESSURE: 502200 -78.9607 -9.81414 102.825 -9.81401 -195.572 110.11 102.824 110.108 360.77 GPRESSURE: 502200 -23.0754 -16.4482 52.9227 60.9144 -154.23 65.663 215.829 17.1685 347.94 PRESSAVG: 502200 48.0738 -7.75215 23.5689 -7.75215 -13.4567 16.0475 23.5689 16.0474 -21.7526 GPRESSAVG: 502200 47.9812 -8.58426 24.7947 -10.7062 -14.2563 15.6574 24.2983 17.2971 -21.0167 TIMING: 502200 CPU: 1647.02, 0.00311761/step Wall: 1647.02, 0.00311761/step, 3.89511 hours remaining, 231.328125 MB of memory in use. ENERGY: 502200 3984.9468 20522.3315 14482.7248 266.7288 -203073.5707 2383.4234 0.0000 0.0000 52069.5222 -109363.8931 299.2443 -161433.4154 -108994.1298 299.9371 28.7459 56.8780 759652.0511 4.2882 4.2361 PRESSURE: 502400 106.155 139.099 -247.642 139.1 63.2463 -181.646 -247.642 -181.646 197.289 GPRESSURE: 502400 43.0616 123.044 -89.495 158.803 139.777 -242.389 -197.514 -126.845 261.06 PRESSAVG: 502400 -0.913176 -5.70583 60.6265 -5.7058 20.3232 -27.7961 60.6265 -27.7961 27.2976 GPRESSAVG: 502400 -0.452535 -4.00317 59.2951 -6.28359 20.783 -28.4091 60.0534 -26.2037 26.2765 TIMING: 502400 CPU: 1647.65, 0.00312611/step Wall: 1647.65, 0.00312611/step, 3.90556 hours remaining, 231.328125 MB of memory in use. ENERGY: 502400 3942.5295 20357.5636 14507.6958 232.2471 -202842.0257 2295.5381 0.0000 0.0000 52165.7146 -109340.7371 299.7971 -161506.4516 -108977.0887 299.9227 122.2301 147.9663 759597.7361 15.5692 15.5356 PRESSURE: 502600 -234.286 66.7842 33.438 66.783 -93.7241 -116.577 33.4376 -116.576 -258.021 GPRESSURE: 502600 -208.006 136.18 18.6523 42.7441 -42.4424 27.6277 -11.0655 -30.8282 -270.24 PRESSAVG: 502600 2.35645 -23.3251 -7.47631 -23.3251 34.5722 12.7583 -7.47627 12.7582 2.58836 GPRESSAVG: 502600 1.90511 -23.1197 -6.9646 -23.5541 34.6021 14.4958 -7.59394 10.3088 2.9327 TIMING: 502600 CPU: 1648.28, 0.00314383/step Wall: 1648.28, 0.00314383/step, 3.92752 hours remaining, 231.328125 MB of memory in use. ENERGY: 502600 4087.1725 20486.2060 14463.9589 253.8331 -203088.6024 2447.0557 0.0000 0.0000 52062.1734 -109288.2028 299.2020 -161350.3762 -108930.4269 299.8950 -195.3436 -173.5628 763132.2399 13.1723 13.1466 PRESSURE: 502800 -108.416 -57.6601 10.0643 -57.6589 -44.1099 179.741 10.0642 179.742 -86.1784 GPRESSURE: 502800 -69.6198 4.75697 54.6773 -109.422 -37.2292 148.283 -67.0736 51.8846 -43.0017 PRESSAVG: 502800 18.2865 13.3983 19.6607 13.3983 -32.4843 -23.9065 19.6607 -23.9065 -10.7097 GPRESSAVG: 502800 17.7136 13.0542 18.2131 13.2729 -30.982 -23.7143 21.4706 -22.7627 -11.4501 TIMING: 502800 CPU: 1648.91, 0.00313411/step Wall: 1648.91, 0.00313411/step, 3.9152 hours remaining, 231.328125 MB of memory in use. ENERGY: 502800 4004.9018 20491.4604 14454.0025 255.8024 -202982.8656 2239.8415 0.0000 0.0000 52184.6171 -109352.2399 299.9057 -161536.8570 -108995.2244 300.0910 -79.5682 -49.9502 761719.9415 -8.3025 -8.2395 PRESSURE: 503000 257.406 45.9314 125.849 45.9316 -95.1893 -97.8989 125.85 -97.8986 428.287 GPRESSURE: 503000 255.338 0.20463 100.838 29.241 -51.2563 -104.647 148.633 -37.003 471.348 PRESSAVG: 503000 1.19319 -17.1074 -24.8415 -17.1074 -7.90401 -77.5332 -24.8415 -77.5333 -17.9604 GPRESSAVG: 503000 2.08621 -16.7281 -23.7944 -13.9475 -9.91626 -76.9624 -27.0724 -78.5471 -16.7361 TIMING: 503000 CPU: 1649.53, 0.00312965/step Wall: 1649.53, 0.00312965/step, 3.90945 hours remaining, 231.328125 MB of memory in use. ENERGY: 503000 3893.6460 20691.9790 14463.0509 263.3470 -203130.1101 2428.6202 0.0000 0.0000 52276.8229 -109112.6442 300.4356 -161389.4670 -108753.9688 300.3392 196.8344 225.1433 759807.1613 -8.2237 -8.1887 PRESSURE: 503200 72.1144 -54.7449 -171.733 -54.745 -119.69 -79.9888 -171.733 -79.9892 54.36 GPRESSURE: 503200 94.483 55.1323 -191.184 46.1445 -41.6423 -108.609 -196.005 -147.267 30.6538 PRESSAVG: 503200 -1.93145 2.09907 -80.0208 2.09911 12.88 5.32431 -80.0208 5.3244 -5.48331 GPRESSAVG: 503200 -2.08457 1.01439 -79.6066 0.924452 13.3943 3.19727 -79.6132 6.23946 -5.83323 TIMING: 503200 CPU: 1650.16, 0.00312621/step Wall: 1650.16, 0.00312621/step, 3.90499 hours remaining, 231.328125 MB of memory in use. ENERGY: 503200 3985.5508 20583.9794 14438.2546 245.9028 -203073.2792 2245.8893 0.0000 0.0000 52331.3204 -109242.3819 300.7488 -161573.7023 -108881.4527 300.1213 2.2613 27.8315 759430.0960 1.8217 1.8255 PRESSURE: 503400 204.865 -8.26182 -28.6259 -8.26164 8.98081 -35.3257 -28.625 -35.3246 471.96 GPRESSURE: 503400 254.28 3.18413 -95.2263 -36.0214 112.159 -20.4687 65.4052 -46.428 376.466 PRESSAVG: 503400 -20.2084 40.4662 24.3906 40.4661 18.4741 -15.0312 24.3906 -15.0313 17.7013 GPRESSAVG: 503400 -20.4315 41.6201 23.3915 39.7095 18.9158 -13.0463 26.8313 -17.6989 17.4032 TIMING: 503400 CPU: 1650.78, 0.00313496/step Wall: 1650.78, 0.00313496/step, 3.91574 hours remaining, 231.328125 MB of memory in use. ENERGY: 503400 3957.9083 20354.0460 14416.7238 244.2526 -203235.8489 2560.4535 0.0000 0.0000 52428.0227 -109274.4420 301.3046 -161702.4647 -108894.7118 300.4167 228.6018 247.6349 760996.0705 5.3223 5.2958 PRESSURE: 503600 -203.477 -39.3767 76.2019 -39.3768 -406.998 -23.4787 76.2018 -23.4792 235.648 GPRESSURE: 503600 -143.124 81.3648 107.112 -92.1001 -360.787 -32.9978 -12.8124 31.0692 202.574 PRESSAVG: 503600 -11.7555 -4.31799 -5.23372 -4.31798 -12.9924 -49.5493 -5.23371 -49.5493 12.1994 GPRESSAVG: 503600 -10.5722 -3.66129 -3.69943 -3.16259 -13.8034 -51.0741 -6.37851 -46.4306 11.7539 TIMING: 503600 CPU: 1651.41, 0.00313916/step Wall: 1651.41, 0.00313916/step, 3.92081 hours remaining, 231.328125 MB of memory in use. ENERGY: 503600 4028.2588 20552.3934 14443.2154 247.9192 -202987.3943 2437.5956 0.0000 0.0000 51948.0781 -109329.9338 298.5463 -161278.0119 -108964.7461 299.7312 -124.9423 -100.4456 762466.5395 -4.1828 -4.2073 PRESSURE: 503800 -251.936 30.3226 189.254 30.3231 -89.859 -225.053 189.252 -225.052 -557.006 GPRESSURE: 503800 -251.049 -19.4215 293.28 27.9838 -14.6668 -234.754 113.075 -63.7023 -553.9 PRESSAVG: 503800 -18.1637 59.0599 21.7064 59.06 -49.2717 -5.31794 21.7063 -5.31794 -0.893085 GPRESSAVG: 503800 -19.5877 56.2681 21.463 59.333 -47.6586 -4.63438 20.8578 -5.73691 -1.10837 TIMING: 503800 CPU: 1652.04, 0.00314008/step Wall: 1652.04, 0.00314008/step, 3.92179 hours remaining, 231.328125 MB of memory in use. ENERGY: 503800 4025.6266 20533.7521 14448.0084 247.0661 -202949.9650 2246.3151 0.0000 0.0000 51896.4297 -109552.7671 298.2495 -161449.1969 -109198.8622 299.6406 -299.6003 -273.2054 762354.9899 -22.7762 -22.7849 PRESSURE: 504000 110.399 -46.258 257.809 -46.257 -257.03 -9.96589 257.809 -9.96717 -37.1429 GPRESSURE: 504000 51.1235 -105.629 343.027 111.898 -124.849 -6.23957 91.2467 55.8438 -18.7667 PRESSAVG: 504000 -37.5289 -2.59821 19.8881 -2.59822 43.7318 -10.2166 19.8882 -10.2166 -15.0154 GPRESSAVG: 504000 -37.7969 -3.78549 21.1443 -2.1285 41.8905 -10.8952 17.2995 -10.7487 -13.4218 TIMING: 504000 CPU: 1652.67, 0.00313388/step Wall: 1652.67, 0.00313388/step, 3.91387 hours remaining, 231.328125 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: 504000 3952.9101 20528.1185 14530.5938 238.7833 -203182.0317 2135.5682 0.0000 0.0000 52194.1433 -109601.9144 299.9605 -161796.0578 -109242.9056 299.2792 -61.2579 -30.8307 760079.2544 -2.9375 -3.1094 PRESSURE: 504200 103.586 -55.1464 -136.311 -55.146 46.2678 -7.49298 -136.311 -7.49283 -242.233 GPRESSURE: 504200 181.575 55.7876 -135.484 -126.519 65.5616 21.7153 -154.499 -49.3762 -248.201 PRESSAVG: 504200 12.4973 -44.02 -4.02417 -44.02 3.84222 22.4233 -4.02411 22.4232 2.94545 GPRESSAVG: 504200 12.7789 -41.2825 -5.50794 -45.9654 5.33007 22.3131 0.302813 21.6301 1.04379 TIMING: 504200 CPU: 1653.29, 0.00312979/step Wall: 1653.29, 0.00312979/step, 3.90859 hours remaining, 231.328125 MB of memory in use. ENERGY: 504200 3920.6407 20528.5493 14444.8107 262.0591 -203396.6557 2683.8139 0.0000 0.0000 52255.2426 -109301.5394 300.3116 -161556.7820 -108942.1116 299.3928 -30.7931 -0.3550 761345.6453 6.4283 6.3843 LDB: ============= START OF LOAD BALANCING ============== 1665.71 LDB: ============== END OF LOAD BALANCING =============== 1665.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1665.71 LDB: ============= START OF LOAD BALANCING ============== 1666.03 LDB: Largest compute 7049 load 0.036010 is 18.4% of average load 0.195244 LDB: Average compute 0.004394 is 2.3% of average load 0.195244 LDB: TIME 1666.03 LOAD: AVG 0.195244 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 1666.03 LOAD: AVG 0.195244 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.02 MB LDB: TIME 1666.03 LOAD: AVG 0.195244 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.02 MB LDB: ============== END OF LOAD BALANCING =============== 1666.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1666.04 PRESSURE: 504400 129.802 -36.4754 82.1409 -36.4757 11.9876 -24.7507 82.1416 -24.751 267.072 GPRESSURE: 504400 210.341 -69.0815 226.607 -26.9807 39.8313 11.1644 80.3781 -117.973 238.415 PRESSAVG: 504400 -3.34028 -13.14 -5.579 -13.14 18.7382 51.6372 -5.57905 51.6372 3.01942 GPRESSAVG: 504400 -3.01906 -14.3219 -4.01316 -13.1547 18.6453 51.2174 -8.29637 52.7288 2.84232 TIMING: 504400 CPU: 1653.93, 0.00320092/step Wall: 1653.93, 0.00320092/step, 3.99723 hours remaining, 231.074219 MB of memory in use. ENERGY: 504400 3954.0454 20475.1459 14542.3475 250.0024 -203551.9549 2922.7651 0.0000 0.0000 52179.3385 -109228.3101 299.8754 -161407.6486 -108876.0194 299.9483 136.2870 162.8624 762191.7691 6.1391 6.1562 PRESSURE: 504600 -173.371 -87.7048 -100.609 -87.7054 173.27 -82.0699 -100.609 -82.0705 214.301 GPRESSURE: 504600 -66.2374 -21.3243 -126.539 -147.089 131.061 -99.5714 -94.0648 -54.8134 241.308 PRESSAVG: 504600 -26.4286 12.024 -5.70338 12.024 23.5942 -23.6158 -5.70345 -23.6158 14.0334 GPRESSAVG: 504600 -25.9036 12.9894 -6.77824 13.1595 22.7824 -21.6807 -5.41803 -24.5374 14.5999 TIMING: 504600 CPU: 1654.56, 0.0031458/step Wall: 1654.56, 0.0031458/step, 3.92823 hours remaining, 231.144531 MB of memory in use. ENERGY: 504600 3994.3642 20574.2260 14480.4807 226.1342 -203494.2728 2684.5002 0.0000 0.0000 52268.8912 -109265.6764 300.3900 -161534.5676 -108899.8079 300.2366 71.3998 102.0439 760870.3463 3.7330 3.8262 PRESSURE: 504800 102.951 129.886 -153.945 129.885 -178.046 40.0026 -153.946 40.0018 235.446 GPRESSURE: 504800 83.3186 53.1377 -214.369 -13.2179 -80.8926 -82.1956 -134.766 81.9663 231.063 PRESSAVG: 504800 1.42187 -14.6125 -2.30753 -14.6125 16.655 31.0063 -2.30749 31.0062 6.8537 GPRESSAVG: 504800 1.05089 -17.1674 -2.92662 -14.6031 17.1739 29.4755 -1.35659 31.2415 6.62836 TIMING: 504800 CPU: 1655.19, 0.00312682/step Wall: 1655.19, 0.00312682/step, 3.90435 hours remaining, 231.144531 MB of memory in use. ENERGY: 504800 3976.6722 20564.1523 14429.3612 236.5684 -203455.7797 2775.3446 0.0000 0.0000 52292.6197 -109181.0612 300.5264 -161473.6809 -108824.9447 300.2362 53.4504 77.8296 760614.0352 8.3102 8.2844 PRESSURE: 505000 -136.329 -4.2328 -33.482 -4.2321 181.818 53.4215 -33.4829 53.4226 -191.36 GPRESSURE: 505000 -85.5349 16.0887 -143.485 80.355 187.857 55.4204 2.9293 146.364 -166.038 PRESSAVG: 505000 -41.6534 -42.2386 -41.1321 -42.2385 -0.821201 -51.1808 -41.132 -51.1809 6.46002 GPRESSAVG: 505000 -42.9418 -40.1797 -41.5989 -44.4059 -1.02894 -51.531 -43.322 -49.7289 7.62335 TIMING: 505000 CPU: 1655.81, 0.00312188/step Wall: 1655.81, 0.00312188/step, 3.89801 hours remaining, 231.144531 MB of memory in use. ENERGY: 505000 4048.4455 20491.0718 14431.5881 253.0562 -203223.6729 2621.8888 0.0000 0.0000 52084.2093 -109293.4132 299.3287 -161377.6225 -108928.2896 299.9732 -48.6239 -21.2388 760563.0658 -12.0048 -12.1158 PRESSURE: 505200 196.038 -183.716 -202.093 -183.716 -75.1241 -5.04735 -202.093 -5.04807 631.987 GPRESSURE: 505200 171.089 -89.0459 -152.882 -74.5964 60.3825 22.1571 -157.765 -42.5519 605.854 PRESSAVG: 505200 -21.9768 -1.29498 -24.3286 -1.295 -3.54566 16.7934 -24.3286 16.7934 1.8238 GPRESSAVG: 505200 -21.3196 -1.49785 -23.0604 1.17479 -3.39796 17.1943 -23.2793 16.8478 0.992482 TIMING: 505200 CPU: 1656.44, 0.00312081/step Wall: 1656.44, 0.00312081/step, 3.89651 hours remaining, 231.144531 MB of memory in use. ENERGY: 505200 4040.6660 20552.0981 14407.2933 244.0739 -202979.0139 2621.7034 0.0000 0.0000 52015.3762 -109097.8031 298.9331 -161113.1792 -108734.5688 299.9203 250.9670 279.1085 761292.8255 -7.8996 -7.9084 PRESSURE: 505400 -356.995 293.123 -12.9702 293.124 -142.647 -172.664 -12.969 -172.664 281.708 GPRESSURE: 505400 -237.679 283.995 8.13304 260.789 -171.023 -207.376 -53.9538 -117.245 278.818 PRESSAVG: 505400 -17.4533 -37.5123 -59.7282 -37.5122 -36.8763 33.9419 -59.7282 33.942 -7.64898 GPRESSAVG: 505400 -17.23 -37.065 -59.1036 -38.1321 -36.9191 35.9843 -61.7492 29.3425 -7.44433 TIMING: 505400 CPU: 1657.06, 0.00314126/step Wall: 1657.06, 0.00314126/step, 3.92187 hours remaining, 231.144531 MB of memory in use. ENERGY: 505400 4027.7492 20541.1285 14376.5598 233.0762 -202923.2991 2414.7730 0.0000 0.0000 52114.4031 -109215.6093 299.5022 -161330.0124 -108848.7184 300.2956 -72.6444 -43.2948 761506.4292 -20.6595 -20.5311 PRESSURE: 505600 343.352 52.1749 -93.7976 52.1756 153.758 -224.164 -93.7974 -224.163 -3.85265 GPRESSURE: 505600 329.388 -38.7293 -35.634 156.01 272.366 -251.253 -160.459 -194.091 -5.48078 PRESSAVG: 505600 -20.157 8.2486 -15.2831 8.24859 35.886 -19.9743 -15.2831 -19.9742 22.0824 GPRESSAVG: 505600 -19.8287 7.6504 -16.5645 8.57419 36.1233 -22.228 -13.7754 -14.8445 22.1349 TIMING: 505600 CPU: 1657.69, 0.0031181/step Wall: 1657.69, 0.0031181/step, 3.89278 hours remaining, 231.144531 MB of memory in use. ENERGY: 505600 4016.6192 20427.0572 14462.7652 234.8501 -203293.0890 2651.7781 0.0000 0.0000 52125.6807 -109374.3385 299.5670 -161500.0192 -109000.3304 299.8953 164.4189 198.7576 759426.2414 12.6038 12.8098 PRESSURE: 505800 -122.901 -90.8105 140.55 -90.8111 92.4288 -185.572 140.548 -185.572 319.259 GPRESSURE: 505800 -48.3074 47.4821 106.453 -160.182 171.532 -178.261 169.749 -159.777 248.403 PRESSAVG: 505800 28.9361 -17.957 7.28723 -17.957 -11.9495 -29.6852 7.28728 -29.6852 19.9473 GPRESSAVG: 505800 29.1211 -20.3021 8.92801 -15.9388 -11.9874 -27.8634 7.17588 -33.8948 19.6903 TIMING: 505800 CPU: 1658.31, 0.00311698/step Wall: 1658.31, 0.00311698/step, 3.89121 hours remaining, 231.144531 MB of memory in use. ENERGY: 505800 3941.7412 20525.3290 14439.7222 269.2311 -203299.1169 2522.6474 0.0000 0.0000 52215.4746 -109384.9713 300.0831 -161600.4459 -109023.7766 299.6532 96.2619 123.8759 760311.0897 12.3113 12.2747 PRESSURE: 506000 -83.0168 -43.9219 16.7431 -43.9217 -188.393 132.287 16.7433 132.286 -92.1082 GPRESSURE: 506000 -71.775 35.3638 7.00448 23.2906 -101.048 137.639 -86.6319 127.931 -97.2237 PRESSAVG: 506000 19.0335 8.76063 6.67578 8.7606 -22.4181 -23.1682 6.67575 -23.1683 16.0768 GPRESSAVG: 506000 17.7203 11.5071 5.787 4.95452 -21.0127 -25.2118 7.30867 -20.4229 15.1703 TIMING: 506000 CPU: 1658.93, 0.00311676/step Wall: 1658.93, 0.00311676/step, 3.89075 hours remaining, 231.144531 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: 506000 4004.3253 20459.9278 14452.4160 234.7258 -202918.1455 2166.7853 0.0000 0.0000 52225.9307 -109374.0345 300.1431 -161599.9653 -109005.7122 299.9616 -121.1725 -90.0157 759939.6707 4.2308 3.9593 PRESSURE: 506200 157.534 -87.7484 53.8548 -87.7485 304.802 -147.783 53.8547 -147.783 203.758 GPRESSURE: 506200 220.219 -105.847 54.0321 -80.198 311.054 -73.3006 147.798 -104.426 220.336 PRESSAVG: 506200 9.16905 1.58445 -41.8032 1.58444 -0.586647 9.70802 -41.8032 9.70808 -1.87886 GPRESSAVG: 506200 10.714 1.23933 -41.0935 3.35369 -3.38345 9.79741 -43.137 7.87702 -0.18867 TIMING: 506200 CPU: 1659.56, 0.0031223/step Wall: 1659.56, 0.0031223/step, 3.89749 hours remaining, 231.144531 MB of memory in use. ENERGY: 506200 3968.1384 20514.6260 14466.8156 238.8897 -203463.1453 2599.7299 0.0000 0.0000 52224.4793 -109450.4663 300.1348 -161674.9456 -109085.0218 299.9178 222.0315 250.5364 759764.7237 2.2345 2.3806 PRESSURE: 506400 -82.9005 75.7572 -255.385 75.757 183.224 65.2151 -255.385 65.2147 -268.068 GPRESSURE: 506400 -86.6592 -34.4917 -266.697 69.6095 223.967 -11.921 -205.898 -20.3056 -226.725 PRESSAVG: 506400 -18.5694 -38.3529 -13.036 -38.3529 14.3562 -11.7002 -13.036 -11.7002 10.9415 GPRESSAVG: 506400 -18.2446 -40.0883 -14.4082 -39.3322 13.695 -10.8351 -12.3475 -11.1034 10.8413 TIMING: 506400 CPU: 1660.18, 0.0031134/step Wall: 1660.18, 0.0031134/step, 3.88621 hours remaining, 231.144531 MB of memory in use. ENERGY: 506400 3966.0574 20518.7003 14466.3998 264.6640 -203103.1588 2268.9274 0.0000 0.0000 51943.7081 -109674.7018 298.5212 -161618.4099 -109313.1629 298.9754 -55.9147 -29.8056 758634.9668 2.2427 2.0972 PRESSURE: 506600 -296.637 -159.881 -203.542 -159.881 128.624 -44.2276 -203.543 -44.2296 38.2304 GPRESSURE: 506600 -210.168 -114.01 -161.841 -157.139 106.978 96.3564 -150.923 -32.3397 47.9147 PRESSAVG: 506600 -24.8261 -32.8947 -28.5631 -32.8947 -15.8588 14.8534 -28.563 14.8534 -11.0845 GPRESSAVG: 506600 -25.3745 -32.3778 -26.6891 -31.3351 -14.3253 14.7901 -29.9828 14.5751 -11.9574 TIMING: 506600 CPU: 1660.8, 0.00310722/step Wall: 1660.8, 0.00310722/step, 3.87833 hours remaining, 231.144531 MB of memory in use. ENERGY: 506600 4022.0543 20498.2827 14482.1111 231.2572 -203598.6645 2674.3969 0.0000 0.0000 52079.7487 -109610.8134 299.3030 -161690.5621 -109242.2656 299.1888 -43.2608 -18.4250 760069.3788 -17.2564 -17.2191 PRESSURE: 506800 19.6646 -64.042 -109.684 -64.0418 73.8589 30.4034 -109.685 30.4026 -209.935 GPRESSURE: 506800 84.7941 4.19874 -32.0913 -23.8893 37.5528 27.0812 -237.817 69.9219 -122.25 PRESSAVG: 506800 -3.90601 0.931608 8.03275 0.931607 33.1882 -44.6028 8.03272 -44.6028 -19.3713 GPRESSAVG: 506800 -4.55816 0.545106 7.40722 -1.86563 33.3488 -43.9325 9.3343 -45.3818 -19.3022 TIMING: 506800 CPU: 1661.43, 0.00311906/step Wall: 1661.43, 0.00311906/step, 3.89293 hours remaining, 231.144531 MB of memory in use. ENERGY: 506800 4009.2359 20510.6199 14347.9030 271.9914 -203089.4956 2396.9826 0.0000 0.0000 52007.0310 -109545.7318 298.8851 -161552.7628 -109182.0282 299.2792 -38.8039 0.0322 759937.0878 3.3036 3.1628 PRESSURE: 507000 71.42 -185.585 17.7818 -185.585 12.6229 138.363 17.7819 138.363 -335.634 GPRESSURE: 507000 84.5258 -199.578 1.50878 -106.91 13.9433 77.2416 -47.2186 181.6 -259.365 PRESSAVG: 507000 11.4293 5.34142 14.4276 5.34143 -45.2037 55.6316 14.4275 55.6316 9.687 GPRESSAVG: 507000 12.449 6.86808 14.5792 6.08534 -46.5737 55.1482 12.3244 56.1256 9.87076 TIMING: 507000 CPU: 1662.05, 0.00312366/step Wall: 1662.05, 0.00312366/step, 3.8985 hours remaining, 231.144531 MB of memory in use. ENERGY: 507000 4000.3928 20569.0260 14358.5294 236.4401 -203045.5952 2595.3945 0.0000 0.0000 51890.0430 -109395.7694 298.2128 -161285.8124 -109037.8523 299.4847 -83.8638 -53.6319 762216.8482 -8.0291 -8.0846 PRESSURE: 507200 -94.3773 -234.752 221.477 -234.751 25.0234 73.2375 221.477 73.2375 -71.5706 GPRESSURE: 507200 -89.5926 -126.564 253.649 -236.847 191.425 139.502 226.742 56.3202 -143.024 PRESSAVG: 507200 -11.5834 -7.89428 -12.2717 -7.89428 -71.0036 43.805 -12.2717 43.805 17.7601 GPRESSAVG: 507200 -12.8992 -7.144 -12.9536 -8.8886 -70.2865 43.8119 -9.97977 46.076 18.3257 TIMING: 507200 CPU: 1662.67, 0.00310795/step Wall: 1662.67, 0.00310795/step, 3.87873 hours remaining, 231.144531 MB of memory in use. ENERGY: 507200 4068.2388 20362.4495 14438.3793 251.6964 -202849.3786 2216.5047 0.0000 0.0000 51968.9401 -109543.1697 298.6662 -161512.1098 -109184.0214 298.7093 -46.9748 -13.7305 762404.3128 -21.6090 -21.6200 PRESSURE: 507400 -115.792 72.4543 -115.89 72.4539 -215.148 -213.667 -115.891 -213.667 -192.675 GPRESSURE: 507400 -30.5311 93.8639 -47.4109 57.1305 -204.353 -184.335 -261.025 -247.239 -174.609 PRESSAVG: 507400 23.7529 12.0597 34.4583 12.0596 -35.8456 -12.7147 34.4583 -12.7147 -17.9932 GPRESSAVG: 507400 25.5477 11.9545 36.0277 12.7351 -37.1533 -13.4029 34.0288 -13.6739 -18.2924 TIMING: 507400 CPU: 1663.3, 0.00311471/step Wall: 1663.3, 0.00311471/step, 3.88698 hours remaining, 231.144531 MB of memory in use. ENERGY: 507400 3940.3620 20605.7013 14393.2267 223.4216 -202896.7641 2295.0299 0.0000 0.0000 51838.5771 -109600.4455 297.9170 -161439.0226 -109233.7948 299.1920 -174.5383 -136.4977 761501.9099 -10.0286 -9.9660 PRESSURE: 507600 -188.886 102.611 -30.3027 102.61 60.6785 -31.3228 -30.3024 -31.3232 148.695 GPRESSURE: 507600 -133.987 93.4249 13.9681 179.256 14.7159 -42.6887 -120.056 7.5215 207.984 PRESSAVG: 507600 3.03545 13.8071 14.2557 13.807 1.57519 22.0682 14.2556 22.0682 8.67379 GPRESSAVG: 507600 2.17168 11.1251 12.2022 13.4878 1.73647 22.3795 14.51 22.6052 9.42188 TIMING: 507600 CPU: 1663.91, 0.00309473/step Wall: 1663.91, 0.00309473/step, 3.86188 hours remaining, 231.144531 MB of memory in use. ENERGY: 507600 3998.3782 20553.2659 14441.1866 252.4733 -203206.1682 2225.3297 0.0000 0.0000 51916.6162 -109818.9184 298.3655 -161735.5346 -109457.6974 299.0908 6.8289 29.5710 760913.8290 4.4281 4.4433 PRESSURE: 507800 12.786 -274.878 59.3717 -274.878 218.004 56.9319 59.3712 56.9313 183.985 GPRESSURE: 507800 -83.8759 -285.826 52.1634 -305.345 347.246 134.184 203.778 -18.5076 222.779 PRESSAVG: 507800 2.15515 -15.9117 61.3676 -15.9116 17.1455 25.9483 61.3677 25.9483 -5.76494 GPRESSAVG: 507800 2.35767 -13.9019 60.4242 -15.4503 18.1943 27.3048 62.4165 24.4725 -6.4259 TIMING: 507800 CPU: 1664.54, 0.00310365/step Wall: 1664.54, 0.00310365/step, 3.87284 hours remaining, 231.144531 MB of memory in use. ENERGY: 507800 3986.6079 20380.9891 14406.2311 254.4854 -203400.4048 2645.2814 0.0000 0.0000 52051.3243 -109675.4856 299.1397 -161726.8099 -109309.5562 299.2269 138.2583 162.0498 761373.0457 4.5119 4.7087 PRESSURE: 508000 27.6585 -55.5257 -227.047 -55.5255 377.985 -45.2844 -227.046 -45.2856 52.123 GPRESSURE: 508000 151.718 -145.302 -150.92 -69.6019 333.386 -60.3174 -100.091 -112.073 48.0001 PRESSAVG: 508000 -28.2552 -6.44169 5.41501 -6.44166 32.9458 9.3614 5.415 9.36149 -2.743 GPRESSAVG: 508000 -27.6073 -7.07515 6.47901 -8.1529 32.9764 8.29356 4.55487 8.84897 -3.31491 TIMING: 508000 CPU: 1665.16, 0.00310971/step Wall: 1665.16, 0.00310971/step, 3.88023 hours remaining, 231.144531 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: 508000 3961.0837 20615.3316 14474.8572 245.8977 -203862.7375 2829.6373 0.0000 0.0000 52050.3219 -109685.6081 299.1339 -161735.9301 -109331.2557 299.7158 152.5888 177.7014 761291.0641 0.6492 0.6847 PRESSURE: 508200 -136.721 -202.302 -27.1947 -202.301 -61.6137 20.4239 -27.1946 20.4238 155.787 GPRESSURE: 508200 -169.135 -274.767 -118.594 -182.701 31.6348 -11.314 -149.455 107.665 189.161 PRESSAVG: 508200 -10.7373 4.91926 1.99755 4.91931 -10.839 19.3691 1.99753 19.3691 -5.79888 GPRESSAVG: 508200 -11.8131 4.08555 1.99937 6.23046 -10.5809 19.0119 1.71355 20.8678 -5.10692 TIMING: 508200 CPU: 1665.78, 0.00311453/step Wall: 1665.78, 0.00311453/step, 3.88607 hours remaining, 231.144531 MB of memory in use. ENERGY: 508200 4039.8879 20500.9490 14441.0588 248.9405 -202995.8759 2043.2150 0.0000 0.0000 52172.1996 -109549.6251 299.8343 -161721.8247 -109191.7173 299.4088 -14.1828 17.2201 761627.4689 -9.1250 -9.1670 LDB: ============= START OF LOAD BALANCING ============== 1678.2 LDB: ============== END OF LOAD BALANCING =============== 1678.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1678.2 LDB: ============= START OF LOAD BALANCING ============== 1678.51 LDB: Largest compute 7049 load 0.035164 is 18.0% of average load 0.195149 LDB: Average compute 0.004378 is 2.2% of average load 0.195149 LDB: TIME 1678.51 LOAD: AVG 0.195149 MAX 0.214233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.168 MB LDB: TIME 1678.51 LOAD: AVG 0.195149 MAX 0.214233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.242 MB LDB: TIME 1678.51 LOAD: AVG 0.195149 MAX 0.214233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.242 MB LDB: ============== END OF LOAD BALANCING =============== 1678.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1678.52 PRESSURE: 508400 89.7753 139.194 70.7162 139.193 -112.161 -107.157 70.7166 -107.158 223.538 GPRESSURE: 508400 104.893 99.8644 96.3368 72.438 18.9843 -211.029 88.7617 -133.388 153.489 PRESSAVG: 508400 -41.1518 4.18127 12.2938 4.18132 4.12034 -25.7408 12.2938 -25.7408 -5.66663 GPRESSAVG: 508400 -41.1538 4.87197 11.8174 3.47913 3.96707 -25.7919 12.7597 -25.5435 -6.0136 TIMING: 508400 CPU: 1666.42, 0.00317804/step Wall: 1666.42, 0.00317804/step, 3.96513 hours remaining, 230.875000 MB of memory in use. ENERGY: 508400 3999.1244 20466.9385 14465.5096 243.2405 -203449.2944 2520.2595 0.0000 0.0000 52181.4234 -109572.7984 299.8874 -161754.2218 -109205.3710 299.5962 67.0505 92.4555 760257.3870 -14.2327 -14.4001 PRESSURE: 508600 103.644 -137.482 98.1146 -137.482 64.8231 -106.21 98.115 -106.21 115.187 GPRESSURE: 508600 96.2482 -153.82 126.933 11.5599 145.431 -128.327 78.3832 -54.2642 131.844 PRESSAVG: 508600 -13.0366 -3.32121 -0.560005 -3.3212 -20.1084 -32 -0.560051 -32.0001 4.48754 GPRESSAVG: 508600 -12.7581 -1.93499 1.24232 -3.6834 -21.3259 -32.1877 -0.771061 -32.1203 5.10629 TIMING: 508600 CPU: 1667.04, 0.00311335/step Wall: 1667.04, 0.00311335/step, 3.88425 hours remaining, 231.078125 MB of memory in use. ENERGY: 508600 3872.0687 20541.2075 14473.6085 245.0957 -203453.5567 2545.8746 0.0000 0.0000 52096.6173 -109679.0843 299.4000 -161775.7017 -109319.4640 299.1143 94.5512 124.5076 759160.6273 -9.5525 -9.6592 PRESSURE: 508800 294.063 -12.2425 -80.3628 -12.2424 -80.2569 -168.097 -80.3623 -168.096 -136.327 GPRESSURE: 508800 313.441 97.3813 -140.662 21.1456 -25.6636 -214.914 -37.73 -101.269 -134.671 PRESSAVG: 508800 -6.153 -5.53641 -48.1777 -5.53645 13.0291 10.2294 -48.1777 10.2294 13.9172 GPRESSAVG: 508800 -6.09336 -6.48772 -49.0549 -5.78401 14.1125 8.69132 -46.7923 10.1498 13.0227 TIMING: 508800 CPU: 1667.66, 0.00312826/step Wall: 1667.66, 0.00312826/step, 3.90267 hours remaining, 231.078125 MB of memory in use. ENERGY: 508800 4072.1641 20514.8235 14416.8954 256.4428 -203082.0441 2216.8186 0.0000 0.0000 51863.7201 -109741.1795 298.0615 -161604.8996 -109381.8768 298.8462 25.8265 51.0352 760817.2711 6.9311 7.0140 PRESSURE: 509000 159.243 -104.745 -138.513 -104.745 -156.775 63.4393 -138.513 63.4395 -63.3379 GPRESSURE: 509000 217.267 -94.9316 -156.649 39.0804 -183.182 -5.47411 -68.4025 52.9612 -32.2225 PRESSAVG: 509000 40.5446 -54.21 42.4756 -54.21 -46.9378 -10.8903 42.4756 -10.8903 0.401843 GPRESSAVG: 509000 41.3398 -55.6054 42.5463 -52.9771 -48.4356 -8.88427 40.2628 -12.7819 1.3652 TIMING: 509000 CPU: 1668.29, 0.00312363/step Wall: 1668.29, 0.00312363/step, 3.89673 hours remaining, 231.078125 MB of memory in use. ENERGY: 509000 4047.9875 20584.3223 14409.8590 242.5346 -203224.1076 2298.1895 0.0000 0.0000 52202.7968 -109438.4178 300.0102 -161641.2146 -109080.4563 299.8736 -20.2900 0.6207 762054.4807 -1.9971 -1.9102 PRESSURE: 509200 -37.5283 47.8886 10.2945 47.8881 -58.1923 -141.429 10.2939 -141.428 513.008 GPRESSURE: 509200 63.5693 -32.4649 -15.3139 -41.478 -45.7774 -171.894 111.333 -54.8221 501.442 PRESSAVG: 509200 16.3742 4.19509 -10.0043 4.1951 -19.7097 -4.03181 -10.0044 -4.03188 43.7839 GPRESSAVG: 509200 15.0924 7.11462 -8.69847 3.12636 -18.3011 -5.78276 -8.36332 -0.991576 43.6832 TIMING: 509200 CPU: 1668.91, 0.00310573/step Wall: 1668.91, 0.00310573/step, 3.87423 hours remaining, 231.078125 MB of memory in use. ENERGY: 509200 4029.5164 20588.3016 14438.4704 238.4226 -203364.8940 2535.8913 0.0000 0.0000 52243.0548 -109291.2370 300.2416 -161534.2919 -108930.4036 299.9930 139.0958 173.0779 762039.9529 13.4828 13.4915 PRESSURE: 509400 168.18 152.077 126.513 152.077 259.123 -84.9412 126.513 -84.9417 163.137 GPRESSURE: 509400 216.271 206.316 140.165 39.5926 291.46 -6.65792 112.27 15.935 145.048 PRESSAVG: 509400 96.2103 3.02696 -57.2418 3.02696 -67.1212 44.214 -57.2419 44.2139 8.5461 GPRESSAVG: 509400 96.1238 3.24179 -57.6103 3.35601 -66.8831 45.5118 -58.8859 43.229 8.29445 TIMING: 509400 CPU: 1669.53, 0.00312462/step Wall: 1669.53, 0.00312462/step, 3.89761 hours remaining, 231.078125 MB of memory in use. ENERGY: 509400 3970.2023 20584.4332 14462.9130 250.6203 -203502.0167 2709.1753 0.0000 0.0000 52010.1018 -109514.5708 298.9028 -161524.6726 -109146.0051 300.0830 196.8135 217.5926 759845.1625 12.5451 12.5117 PRESSURE: 509600 -171.346 -128.044 134.606 -128.045 -226.55 -17.5709 134.606 -17.5722 236.762 GPRESSURE: 509600 -185.313 -75.4013 139.562 -117.347 -130.676 -24.5821 248.502 -149.998 262.027 PRESSAVG: 509600 11.7037 -16.0496 18.7492 -16.0497 -8.29479 -8.98998 18.7492 -8.99005 -4.52539 GPRESSAVG: 509600 12.9021 -16.9085 17.6385 -17.0816 -9.70309 -9.61076 18.6525 -9.8671 -4.42527 TIMING: 509600 CPU: 1670.16, 0.00314033/step Wall: 1670.16, 0.00314033/step, 3.91704 hours remaining, 231.078125 MB of memory in use. ENERGY: 509600 4005.5350 20675.9545 14439.9967 247.4770 -203552.3820 2464.4487 0.0000 0.0000 52185.3788 -109533.5914 299.9101 -161718.9702 -109179.5845 299.7027 -53.7112 -17.9873 759616.9176 -0.3722 -0.4088 PRESSURE: 509800 36.8245 -192.208 -161.043 -192.209 -338.063 -20.3497 -161.043 -20.3495 -4.74481 GPRESSURE: 509800 48.451 -182.707 -257.197 -118.487 -287.331 101.245 -44.6984 -151.187 27.5116 PRESSAVG: 509800 0.546474 6.56648 26.6404 6.56646 -0.441036 5.2916 26.6403 5.29158 -6.88013 GPRESSAVG: 509800 0.2761 5.71179 26.7869 6.69041 -1.18324 5.94577 27.5842 5.85698 -6.35834 TIMING: 509800 CPU: 1670.79, 0.00314441/step Wall: 1670.79, 0.00314441/step, 3.92195 hours remaining, 231.078125 MB of memory in use. ENERGY: 509800 4039.5077 20627.8923 14499.8646 256.0014 -203824.0285 2673.8304 0.0000 0.0000 52105.0289 -109621.9033 299.4483 -161726.9322 -109259.1990 299.6565 -101.9944 -70.4560 760496.6871 -2.2582 -2.4218 PRESSURE: 510000 -313.512 -8.92489 -259.428 -8.92511 -297.284 -3.16704 -259.428 -3.16618 -210.175 GPRESSURE: 510000 -277.967 39.3243 -345.777 -50.2301 -263.958 -14.821 -235.075 -49.9544 -198.8 PRESSAVG: 510000 29.5073 -14.8292 -45.0939 -14.8291 -29.2696 77.007 -45.0938 77.007 6.23129 GPRESSAVG: 510000 29.0117 -11.9718 -45.3172 -15.6114 -28.668 77.4591 -43.4765 74.1574 5.67282 TIMING: 510000 CPU: 1671.42, 0.0031441/step Wall: 1671.42, 0.0031441/step, 3.92139 hours remaining, 231.078125 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: 510000 3991.4853 20571.2793 14388.0004 259.4557 -203164.2519 2173.2445 0.0000 0.0000 52188.9145 -109591.8721 299.9304 -161780.7866 -109225.7801 299.6144 -273.6571 -246.9081 761339.0317 2.1563 2.0055 PRESSURE: 510200 -253.731 9.26686 81.9936 9.2664 -410.313 32.422 81.9938 32.4223 46.5886 GPRESSURE: 510200 -262.353 -27.9235 67.0773 48.8843 -353.97 93.4272 204.373 39.6972 62.6057 PRESSAVG: 510200 -15.9542 -71.1626 -16.1863 -71.1626 5.16275 -13.4995 -16.1862 -13.4994 12.4983 GPRESSAVG: 510200 -15.0753 -74.6815 -16.7539 -68.8228 4.59837 -13.3822 -16.601 -12.6122 12.7606 TIMING: 510200 CPU: 1672.05, 0.00312899/step Wall: 1672.05, 0.00312899/step, 3.90237 hours remaining, 231.078125 MB of memory in use. ENERGY: 510200 4040.4892 20602.3084 14475.9196 237.1217 -203129.3935 2200.9287 0.0000 0.0000 52063.3766 -109509.2493 299.2089 -161572.6259 -109148.9686 299.6979 -205.8183 -184.5725 761976.3243 0.5690 0.7612 PRESSURE: 510400 330.529 -169.363 -135.465 -169.364 415.666 -157.642 -135.465 -157.642 549.294 GPRESSURE: 510400 367.547 -168.681 -101.799 -44.1388 452.778 -120.678 -129.256 -94.8494 575.017 PRESSAVG: 510400 32.2853 -7.00822 0.622514 -7.00827 -57.8678 13.2238 0.622512 13.2238 7.52877 GPRESSAVG: 510400 31.3554 -5.44768 1.46784 -9.13897 -57.1857 13.7589 -1.41581 15.6788 7.795 TIMING: 510400 CPU: 1672.67, 0.00312919/step Wall: 1672.67, 0.00312919/step, 3.90244 hours remaining, 231.078125 MB of memory in use. ENERGY: 510400 3954.4892 20503.2513 14477.7827 256.8032 -203549.3307 2906.6286 0.0000 0.0000 51964.6454 -109485.7303 298.6415 -161450.3757 -109122.2249 299.6456 431.8295 465.1143 760182.0227 -6.0179 -6.0118 PRESSURE: 510600 -95.888 236.881 171.239 236.881 -50.4809 148.576 171.238 148.577 -57.2989 GPRESSURE: 510600 35.5805 162.019 169.476 216.436 -83.7862 140.417 -20.184 101.1 -81.4002 PRESSAVG: 510600 33.2875 -26.7019 -5.15388 -26.7019 8.66616 35.0253 -5.15388 35.0253 -12.0012 GPRESSAVG: 510600 34.5766 -25.6419 -6.06704 -26.9762 7.27703 32.9246 -4.33028 33.1612 -11.7654 TIMING: 510600 CPU: 1673.3, 0.00313198/step Wall: 1673.3, 0.00313198/step, 3.90575 hours remaining, 231.078125 MB of memory in use. ENERGY: 510600 3938.3702 20572.1280 14445.4092 262.6240 -203127.0646 2323.9453 0.0000 0.0000 52197.1376 -109387.4503 299.9777 -161584.5879 -109033.6880 299.6489 -67.8893 -43.2020 759571.5353 9.9842 10.0294 PRESSURE: 510800 -197.4 -18.8696 -11.1451 -18.8699 -247.476 29.3669 -11.1448 29.3666 -118.295 GPRESSURE: 510800 -212.42 114.057 56.2812 37.1751 -188.656 21.8628 -73.4503 -6.73395 -71.1779 PRESSAVG: 510800 52.2015 32.0884 8.14549 32.0883 -23.2419 -46.3721 8.14548 -46.3721 16.3101 GPRESSAVG: 510800 50.7593 31.9178 9.00956 33.0572 -21.4724 -44.9204 8.03617 -45.7887 15.5634 TIMING: 510800 CPU: 1673.92, 0.0031316/step Wall: 1673.92, 0.0031316/step, 3.9051 hours remaining, 231.078125 MB of memory in use. ENERGY: 510800 4010.4948 20577.2607 14488.1287 249.0602 -203075.9628 2323.2167 0.0000 0.0000 52147.8392 -109279.9625 299.6943 -161427.8016 -108920.7620 299.9188 -187.7234 -157.4181 761078.8927 15.0899 14.9501 PRESSURE: 511000 23.2138 -113.679 82.6585 -113.679 99.193 55.1676 82.6579 55.1667 -306.103 GPRESSURE: 511000 85.0008 -246.321 163.673 11.3492 95.9617 93.6188 1.35289 -41.6139 -290.24 PRESSAVG: 511000 18.569 -32.3216 -7.86753 -32.3216 1.45855 -4.00909 -7.86755 -4.00903 8.31278 GPRESSAVG: 511000 18.838 -34.4615 -8.58125 -31.7036 1.40511 -3.38318 -8.15911 -5.45286 7.80391 TIMING: 511000 CPU: 1674.55, 0.00312881/step Wall: 1674.55, 0.00312881/step, 3.90145 hours remaining, 231.078125 MB of memory in use. ENERGY: 511000 3907.4593 20768.6082 14463.1144 246.4008 -203258.4293 2342.8190 0.0000 0.0000 52017.0530 -109512.9746 298.9427 -161530.0276 -109141.8618 299.6467 -61.2321 -36.4259 762444.4711 9.4468 9.3490 PRESSURE: 511200 418.107 96.3662 -200.823 96.3659 109.068 102.825 -200.824 102.825 141.92 GPRESSURE: 511200 533.522 -4.67134 -145.271 39.9432 59.2651 15.5207 -171.557 136.874 136.12 PRESSAVG: 511200 -14.3818 13.9257 -20.2752 13.9257 26.2366 -43.9861 -20.2751 -43.9862 -10.4149 GPRESSAVG: 511200 -14.2703 14.7477 -20.7658 16.3855 24.8595 -44.1523 -19.9261 -44.8319 -9.25179 TIMING: 511200 CPU: 1675.17, 0.00311555/step Wall: 1675.17, 0.00311555/step, 3.88475 hours remaining, 231.078125 MB of memory in use. ENERGY: 511200 3977.2483 20254.6013 14505.0631 247.1163 -203335.5351 2634.8765 0.0000 0.0000 52010.4808 -109706.1487 298.9049 -161716.6296 -109334.2731 299.4795 223.0314 242.9692 761992.8652 0.4799 0.4458 PRESSURE: 511400 112.525 87.6965 101.328 87.6968 -87.5605 52.5143 101.329 52.5154 143.336 GPRESSURE: 511400 295.41 76.1083 64.04 81.1139 -117.725 76.2369 89.6912 -168.671 67.3839 PRESSAVG: 511400 13.6856 -7.37126 23.7688 -7.37134 -16.0579 4.09787 23.769 4.09781 -6.8795 GPRESSAVG: 511400 13.5619 -8.35031 26.3749 -7.49891 -14.7907 6.05128 21.4572 4.7125 -7.81313 TIMING: 511400 CPU: 1675.8, 0.00312797/step Wall: 1675.8, 0.00312797/step, 3.90006 hours remaining, 231.078125 MB of memory in use. ENERGY: 511400 4018.6424 20370.5902 14519.1098 248.4869 -203422.4849 2504.6946 0.0000 0.0000 51986.7267 -109774.2343 298.7684 -161760.9610 -109416.7321 299.2148 56.1001 81.6897 761036.0960 -3.0839 -3.0140 PRESSURE: 511600 145.861 -53.8868 -46.6912 -53.8873 229.138 167.084 -46.6916 167.085 -57.598 GPRESSURE: 511600 228.231 -8.14778 -67.8453 -48.7779 258.115 87.1895 13.5924 63.7165 -61.3157 PRESSAVG: 511600 0.412754 8.58497 19.2278 8.58494 -4.80442 -0.572242 19.2278 -0.572237 17.2359 GPRESSAVG: 511600 0.476332 9.84903 18.1089 6.83352 -4.50668 -3.13801 19.577 -1.69089 16.9989 TIMING: 511600 CPU: 1676.43, 0.00314091/step Wall: 1676.43, 0.00314091/step, 3.91602 hours remaining, 231.078125 MB of memory in use. ENERGY: 511600 3916.9760 20294.0015 14421.8439 250.1129 -203942.6124 3001.2601 0.0000 0.0000 52282.1543 -109776.2636 300.4663 -162058.4180 -109407.9434 299.0190 105.8003 141.6766 760489.3675 4.2814 4.3229 PRESSURE: 511800 215.116 -276.942 -82.0021 -276.942 -25.1224 -107.561 -82.0019 -107.562 153.827 GPRESSURE: 511800 211.915 -318.999 -146.088 -220.235 -26.346 -115.852 -185.687 -124.565 219.547 PRESSAVG: 511800 5.39473 -10.9937 -0.328913 -10.9937 43.3149 20.1291 -0.328869 20.129 -0.185086 GPRESSAVG: 511800 5.7468 -11.1691 -0.951925 -11.0953 42.8199 20.642 2.3791 23.0166 -0.0578597 TIMING: 511800 CPU: 1677.05, 0.00312832/step Wall: 1677.05, 0.00312832/step, 3.90014 hours remaining, 231.078125 MB of memory in use. ENERGY: 511800 4009.9934 20269.1457 14461.0482 264.4943 -203643.4141 2559.3149 0.0000 0.0000 52241.3171 -109838.1005 300.2316 -162079.4177 -109473.6973 299.1521 114.6068 135.0387 760395.0752 16.1748 16.1696 PRESSURE: 512000 -164.525 -177.101 274.016 -177.101 31.0039 385.104 274.016 385.104 -477.773 GPRESSURE: 512000 -110.601 -169.603 223.748 -58.4882 -8.17145 360.013 106.155 312.27 -415.061 PRESSAVG: 512000 17.164 -14.4501 -68.3898 -14.45 -16.8904 38.5286 -68.3898 38.5285 -13.3501 GPRESSAVG: 512000 15.8373 -15.0727 -69.4306 -13.2483 -16.7689 37.8459 -70.9426 38.4726 -13.0816 TIMING: 512000 CPU: 1677.68, 0.0031281/step Wall: 1677.68, 0.0031281/step, 3.8997 hours remaining, 231.078125 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: 512000 4014.0326 20478.1733 14492.1491 239.8257 -203660.6088 2619.3476 0.0000 0.0000 51843.0997 -109973.9808 297.9430 -161817.0805 -109611.1075 298.5944 -203.7646 -177.9444 760719.2221 -4.3588 -4.6711 PRESSURE: 512200 -221.407 47.956 -29.1543 47.9562 -124.576 -90.2843 -29.1544 -90.2847 -282.658 GPRESSURE: 512200 -171.09 -9.24179 62.7667 21.8233 -123.796 -93.1233 -121.064 -57.3231 -221.989 PRESSAVG: 512200 64.7071 3.52684 -16.9062 3.52683 -33.5363 -19.0788 -16.9062 -19.0789 -2.09298 GPRESSAVG: 512200 66.7636 5.64447 -16.208 1.63995 -34.1011 -19.643 -14.1088 -20.7314 -3.02475 TIMING: 512200 CPU: 1678.3, 0.00312775/step Wall: 1678.3, 0.00312775/step, 3.89909 hours remaining, 231.078125 MB of memory in use. ENERGY: 512200 3970.8338 20499.9869 14488.8230 235.0473 -203093.5234 2118.1867 0.0000 0.0000 51895.3673 -109885.2785 298.2434 -161780.6458 -109528.0438 298.6051 -209.5468 -172.2916 759981.1124 9.6926 9.8793 LDB: ============= START OF LOAD BALANCING ============== 1690.72 LDB: ============== END OF LOAD BALANCING =============== 1690.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1690.73 LDB: ============= START OF LOAD BALANCING ============== 1691.04 LDB: Largest compute 7049 load 0.033801 is 17.3% of average load 0.195261 LDB: Average compute 0.004355 is 2.2% of average load 0.195261 LDB: TIME 1691.04 LOAD: AVG 0.195261 MAX 0.214423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 1691.04 LOAD: AVG 0.195261 MAX 0.214423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: TIME 1691.04 LOAD: AVG 0.195261 MAX 0.214423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: ============== END OF LOAD BALANCING =============== 1691.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1691.05 PRESSURE: 512400 22.9882 -4.33807 -34.6209 -4.33835 87.0249 54.64 -34.6202 54.6417 160.865 GPRESSURE: 512400 88.8249 20.6096 -120.269 -37.6574 95.1981 73.2058 127.86 -23.7283 174.197 PRESSAVG: 512400 -26.8862 66.3995 -13.6517 66.3994 34.4692 -10.2025 -13.6517 -10.2025 2.57199 GPRESSAVG: 512400 -27.9132 65.7858 -12.5481 68.2884 35.746 -10.2258 -14.332 -11.4163 3.05223 TIMING: 512400 CPU: 1678.94, 0.00320328/step Wall: 1678.94, 0.00320328/step, 3.99307 hours remaining, 230.675781 MB of memory in use. ENERGY: 512400 3980.7886 20433.3755 14474.6950 252.4430 -203779.8613 2711.6666 0.0000 0.0000 52014.4077 -109912.4849 298.9275 -161926.8927 -109542.9732 298.5154 90.2929 119.4067 759222.8636 3.3850 3.6284 PRESSURE: 512600 -194.102 53.0895 -170.629 53.089 -362.204 -100.543 -170.629 -100.542 -145.759 GPRESSURE: 512600 -220.069 59.9902 -237.853 64.3498 -280.907 -126.562 -199.53 -24.8487 -111.963 PRESSAVG: 512600 0.83077 -20.718 -22.9771 -20.718 11.8493 -37.608 -22.9771 -37.608 11.8449 GPRESSAVG: 512600 0.920374 -20.3608 -22.0964 -22.6859 10.5538 -38.3045 -26.6028 -34.3199 13.1217 TIMING: 512600 CPU: 1679.57, 0.00314483/step Wall: 1679.57, 0.00314484/step, 3.92004 hours remaining, 230.675781 MB of memory in use. ENERGY: 512600 4059.9771 20495.0788 14487.4814 247.0744 -203270.3671 2230.5707 0.0000 0.0000 51893.1990 -109856.9856 298.2309 -161750.1846 -109501.3473 298.8087 -234.0217 -204.3130 759825.8035 8.1750 8.1986 PRESSURE: 512800 -400.285 -165.138 1.85148 -165.138 -142.798 -82.0095 1.85277 -82.0098 -252.791 GPRESSURE: 512800 -408.784 -203.206 -67.1443 -55.7692 -55.0863 -49.0535 -13.8557 -46.0703 -252.846 PRESSAVG: 512800 -46.3326 11.5435 -47.1962 11.5435 -0.199571 7.23246 -47.1962 7.23236 -21.0138 GPRESSAVG: 512800 -45.4986 10.7256 -47.5633 11.6547 0.626664 9.06773 -44.5553 6.93754 -22.3139 TIMING: 512800 CPU: 1680.2, 0.00315386/step Wall: 1680.2, 0.00315386/step, 3.93111 hours remaining, 230.675781 MB of memory in use. ENERGY: 512800 4013.9935 20341.3147 14477.4808 233.8505 -203637.6339 2655.7689 0.0000 0.0000 51972.0713 -109943.1542 298.6842 -161915.2255 -109572.5368 298.3561 -265.2912 -238.9055 761578.7457 -22.5153 -22.3953 PRESSURE: 513000 126.497 155.879 -1.86242 155.879 265.025 -184.149 -1.86409 -184.149 388.705 GPRESSURE: 513000 215.706 49.1678 -27.0715 85.1892 341.043 -239.852 -122.16 -182.964 327.21 PRESSAVG: 513000 -28.5895 -53.9024 18.5871 -53.9025 40.52 -37.9064 18.5871 -37.9064 6.09801 GPRESSAVG: 513000 -28.8758 -53.4929 19.6414 -54.7284 40.365 -39.6608 18.9218 -39.6809 6.98629 TIMING: 513000 CPU: 1680.86, 0.00326104/step Wall: 1680.86, 0.00326104/step, 4.06453 hours remaining, 230.675781 MB of memory in use. ENERGY: 513000 3906.8772 20421.0919 14416.4537 223.4055 -203451.3100 2548.8609 0.0000 0.0000 52045.3204 -109889.3004 299.1052 -161934.6208 -109529.4260 298.4457 260.0757 294.6531 760469.6464 6.0095 6.1585 PRESSURE: 513200 251.059 -74.0216 -127.825 -74.0209 -218.377 63.0498 -127.824 63.0494 -81.2661 GPRESSURE: 513200 252.102 -51.8249 -85.3565 -55.7966 -154.025 129.647 -92.8326 -27.1143 -60.2451 PRESSAVG: 513200 9.85716 3.84074 -37.5879 3.84076 -19.1706 8.99408 -37.5879 8.99404 13.3076 GPRESSAVG: 513200 10.0544 3.9391 -38.1036 4.45975 -18.8545 9.85943 -36.6276 12.2319 12.5473 TIMING: 513200 CPU: 1681.51, 0.00325824/step Wall: 1681.51, 0.00325824/step, 4.06085 hours remaining, 230.675781 MB of memory in use. ENERGY: 513200 3937.7377 20564.7811 14378.4532 248.7906 -203696.8529 2547.7635 0.0000 0.0000 51935.0406 -110084.2861 298.4714 -162019.3268 -109730.7898 298.8681 -16.1948 12.6106 759664.0078 1.3314 1.2491 PRESSURE: 513400 -26.5131 -220.544 -224.394 -220.544 -11.0414 -78.958 -224.395 -78.9584 131.875 GPRESSURE: 513400 37.7392 -68.1826 -150.667 -238.987 44.9715 -201.575 -152.134 -51.017 82.4868 PRESSAVG: 513400 15.1218 16.2146 -10.8329 16.2146 -37.2637 20.3878 -10.8329 20.3877 -6.54312 GPRESSAVG: 513400 14.9885 15.9494 -10.4793 16.7601 -38.3227 19.7222 -12.321 16.9398 -5.89338 TIMING: 513400 CPU: 1682.13, 0.00311624/step Wall: 1682.13, 0.00311624/step, 3.8837 hours remaining, 230.675781 MB of memory in use. ENERGY: 513400 3977.6082 20591.2568 14458.9765 255.3580 -203541.5062 2485.3191 0.0000 0.0000 51959.3704 -109813.6171 298.6112 -161772.9875 -109458.4753 298.5996 31.4402 55.0658 758249.7538 -9.5617 -9.7425 PRESSURE: 513600 -165.483 20.493 169.942 20.4923 -177.95 190.126 169.942 190.127 -203.084 GPRESSURE: 513600 -138.651 -58.0007 97.6239 -12.0413 -263.414 202.778 110.512 134.178 -86.3424 PRESSAVG: 513600 9.69495 -62.7776 14.1936 -62.7777 12.9405 -38.1655 14.1936 -38.1654 -10.5203 GPRESSAVG: 513600 9.84207 -63.0112 11.903 -63.3612 13.1068 -37.4975 16.1458 -37.3443 -11.1751 TIMING: 513600 CPU: 1682.81, 0.00341106/step Wall: 1682.81, 0.00341106/step, 4.25094 hours remaining, 230.675781 MB of memory in use. ENERGY: 513600 4001.4336 20568.2994 14480.1035 245.0269 -203468.4101 2294.7476 0.0000 0.0000 52015.3341 -109863.4650 298.9328 -161878.7991 -109503.6686 299.6395 -182.1721 -162.8026 758827.7275 4.0384 3.9246 PRESSURE: 513800 -76.8535 -238.19 -114.519 -238.19 -376.486 21.3989 -114.519 21.3975 -107.765 GPRESSURE: 513800 -81.7601 -343.2 -61.7614 -67.1546 -328.589 -7.6739 -8.2483 219.764 -85.1816 PRESSAVG: 513800 35.7225 -49.6562 12.6904 -49.6561 -17.8652 8.63746 12.6904 8.6375 -7.5366 GPRESSAVG: 513800 35.4884 -48.8688 13.1403 -48.785 -17.2272 7.35673 11.2328 9.97684 -7.76454 TIMING: 513800 CPU: 1683.47, 0.00328612/step Wall: 1683.47, 0.00328612/step, 4.09506 hours remaining, 230.675781 MB of memory in use. ENERGY: 513800 3964.4580 20604.4885 14393.1057 240.0482 -203612.0679 2571.2373 0.0000 0.0000 52081.0207 -109757.7095 299.3103 -161838.7302 -109391.0340 299.0476 -187.0348 -165.1769 759582.0226 3.4402 3.4989 PRESSURE: 514000 -242.061 -45.5074 -47.5328 -45.5081 -252.542 121.583 -47.5328 121.583 -55.5951 GPRESSURE: 514000 -180.998 21.3333 58.7144 -142.842 -115.269 109.333 -128.841 230.49 -165.867 PRESSAVG: 514000 -8.92327 -67.3135 -29.1989 -67.3135 -19.2028 3.32317 -29.1989 3.32313 -4.68901 GPRESSAVG: 514000 -8.32125 -66.6963 -28.8326 -69.1435 -20.0851 4.82921 -29.3606 1.80532 -4.20457 TIMING: 514000 CPU: 1684.09, 0.00311891/step Wall: 1684.09, 0.00311891/step, 3.88651 hours remaining, 230.675781 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: 514000 4021.0851 20473.3048 14455.4749 244.4763 -203433.8904 2564.9391 0.0000 0.0000 51827.7675 -109846.8426 297.8549 -161674.6102 -109478.8918 298.6057 -183.3993 -154.0446 761900.2587 -10.9384 -10.8703 PRESSURE: 514200 -225.808 34.0763 53.5504 34.0775 -243.377 -154.47 53.5512 -154.47 120.036 GPRESSURE: 514200 -151.719 -12.537 60.0103 -43.8976 -176.4 -115.601 20.8453 -100.965 37.894 PRESSAVG: 514200 -17.6999 -54.5724 36.2957 -54.5724 51.9654 -30.2987 36.2957 -30.2987 -3.42463 GPRESSAVG: 514200 -18.1461 -56.6851 35.3202 -48.9445 52.4076 -30.2405 36.3047 -29.1738 -3.60748 TIMING: 514200 CPU: 1684.75, 0.00327079/step Wall: 1684.75, 0.00327079/step, 4.07559 hours remaining, 230.675781 MB of memory in use. ENERGY: 514200 3931.5626 20532.8716 14411.7987 243.8845 -203491.5166 2281.2339 0.0000 0.0000 52291.8207 -109798.3446 300.5218 -162090.1653 -109430.8675 298.9628 -116.3833 -96.7418 758034.7049 10.2803 10.2180 PRESSURE: 514400 135.08 -114.782 -176.986 -114.782 17.4987 -235.71 -176.986 -235.711 208.035 GPRESSURE: 514400 130.681 -118.392 -108.906 -282.478 48.578 -245.452 -186.146 -231.664 257.845 PRESSAVG: 514400 39.4608 -28.1515 8.76163 -28.1516 -30.2137 -37.2483 8.76164 -37.2483 6.1213 GPRESSAVG: 514400 39.3775 -27.4998 10.7292 -31.7684 -30.4302 -37.2495 7.89697 -37.8221 5.23718 TIMING: 514400 CPU: 1685.46, 0.00353296/step Wall: 1685.46, 0.00353296/step, 4.40206 hours remaining, 230.675781 MB of memory in use. ENERGY: 514400 3985.6865 20385.6376 14382.7455 241.7705 -203698.0340 2765.9028 0.0000 0.0000 52073.6137 -109862.6774 299.2678 -161936.2911 -109498.7852 298.7997 120.2046 145.7011 759944.2451 5.1228 4.7282 PRESSURE: 514600 -312.801 155.027 134.231 155.028 4.20689 -83.846 134.231 -83.8459 -146.956 GPRESSURE: 514600 -213.126 121.395 146.008 154.07 10.6721 -41.1539 80.5429 -195.212 -164.864 PRESSAVG: 514600 6.6998 -55.5623 -36.4404 -55.5623 -28.8083 -37.92 -36.4404 -37.9199 9.52103 GPRESSAVG: 514600 5.53515 -54.8565 -38.3491 -56.6964 -28.3133 -38.5017 -35.8725 -37.4202 10.5666 TIMING: 514600 CPU: 1686.08, 0.00310255/step Wall: 1686.08, 0.00310255/step, 3.8656 hours remaining, 230.675781 MB of memory in use. ENERGY: 514600 4013.2682 20672.6799 14514.5108 246.9914 -203482.7378 2511.7359 0.0000 0.0000 51861.7285 -109661.8231 298.0501 -161523.5516 -109297.3635 299.5773 -151.8500 -122.4395 762323.8254 -4.1958 -4.0705 PRESSURE: 514800 145.797 -108.927 249.76 -108.926 264.367 3.14379 249.761 3.14275 -54.397 GPRESSURE: 514800 160.531 -128.44 214.596 -85.8819 296.929 -116.846 303.66 128.548 -18.6174 PRESSAVG: 514800 -26.3677 -59.852 43.1898 -59.8521 -40.2491 -42.1432 43.1898 -42.1432 -11.6244 GPRESSAVG: 514800 -27.3702 -61.891 42.8814 -56.8061 -40.1109 -41.9118 44.9864 -42.6561 -10.6981 TIMING: 514800 CPU: 1686.73, 0.00326466/step Wall: 1686.73, 0.00326466/step, 4.06741 hours remaining, 230.675781 MB of memory in use. ENERGY: 514800 4060.3579 20605.1016 14396.1556 248.3622 -203915.6789 3036.5045 0.0000 0.0000 52144.4284 -109424.7686 299.6747 -161569.1970 -109060.4371 299.4186 118.5889 146.2806 763008.2693 -26.0804 -26.0597 PRESSURE: 515000 9.14863 99.0406 11.7419 99.0404 104.887 -162.3 11.7424 -162.3 -55.4384 GPRESSURE: 515000 95.2272 -2.65858 -46.7366 74.0322 81.2506 -160.564 -62.9082 -308.44 -36.1959 PRESSAVG: 515000 10.1745 -36.6989 35.626 -36.6989 17.3924 -41.3152 35.6259 -41.3153 -17.3874 GPRESSAVG: 515000 12.293 -34.0166 36.2745 -36.6014 16.9493 -41.0444 33.9669 -43.5791 -18.4636 TIMING: 515000 CPU: 1687.36, 0.00313056/step Wall: 1687.36, 0.00313056/step, 3.90016 hours remaining, 230.675781 MB of memory in use. ENERGY: 515000 4022.3071 20637.5528 14513.3750 240.6521 -203794.1325 2848.1013 0.0000 0.0000 52280.5897 -109251.5545 300.4573 -161532.1442 -108898.4835 299.9824 19.5325 46.7606 760276.7329 3.3932 3.5929 PRESSURE: 515200 225.757 145.914 -240.007 145.914 65.4387 7.26789 -240.006 7.26831 312.697 GPRESSURE: 515200 194.735 137.08 -220.749 47.1814 128.128 -52.3962 -286.277 7.01876 364.875 PRESSAVG: 515200 44.9674 -39.0118 4.51469 -39.0118 -49.6628 -59.7595 4.51472 -59.7596 30.5606 GPRESSAVG: 515200 44.2922 -37.9946 4.97603 -41.3215 -49.9734 -61.2859 4.57997 -55.8481 31.056 TIMING: 515200 CPU: 1687.98, 0.00311693/step Wall: 1687.98, 0.00311693/step, 3.883 hours remaining, 230.675781 MB of memory in use. ENERGY: 515200 3978.4677 20579.6762 14514.0296 253.5631 -203068.2344 2286.1209 0.0000 0.0000 52269.3471 -109187.0298 300.3927 -161456.3769 -108807.8294 300.3856 201.2977 229.2461 761385.4230 8.6217 8.4583 PRESSURE: 515400 -108.763 -261.973 150.421 -261.973 -77.6074 67.5053 150.423 67.5051 -201.185 GPRESSURE: 515400 64.5348 -275.682 129.553 -142.121 -185.647 -90.3142 182.031 12.5292 -190.665 PRESSAVG: 515400 8.02956 -38.4261 9.55189 -38.4261 -0.849805 20.749 9.5519 20.7489 -23.2241 GPRESSAVG: 515400 7.6161 -37.7355 9.3679 -38.9105 -1.37885 22.6183 10.2698 17.558 -22.525 TIMING: 515400 CPU: 1688.64, 0.00329232/step Wall: 1688.64, 0.00329232/step, 4.10132 hours remaining, 230.675781 MB of memory in use. ENERGY: 515400 4030.8079 20466.1720 14533.6809 246.9408 -203020.0410 2427.8712 0.0000 0.0000 52067.6937 -109246.8745 299.2338 -161314.5682 -108884.1047 299.9105 -129.1854 -103.9259 762118.8739 -5.3481 -5.4293 PRESSURE: 515600 -34.639 -39.1462 23.1051 -39.146 -250.4 11.1819 23.1048 11.1837 -232.091 GPRESSURE: 515600 22.2832 -29.299 52.8936 -79.0033 -212.307 75.1832 39.0093 48.0826 -224.854 PRESSAVG: 515600 46.4863 -40.8436 -19.5366 -40.8436 -46.4148 16.9592 -19.5366 16.9591 -14.7697 GPRESSAVG: 515600 47.2131 -42.035 -18.7927 -40.3358 -46.6092 18.0755 -20.4395 17.7434 -15.0856 TIMING: 515600 CPU: 1689.26, 0.0031314/step Wall: 1689.26, 0.0031314/step, 3.90068 hours remaining, 230.675781 MB of memory in use. ENERGY: 515600 4022.0882 20489.6247 14469.5244 242.2752 -203144.0037 2455.0520 0.0000 0.0000 52157.1712 -109308.2679 299.7480 -161465.4391 -108941.1872 299.5563 -172.3767 -138.2926 761096.8975 -4.8994 -4.8272 PRESSURE: 515800 5.9967 40.4754 61.7598 40.4758 -91.7891 240.302 61.7594 240.3 67.0542 GPRESSURE: 515800 11.6679 2.60589 -2.75256 146.705 -51.1282 291.182 249.199 178.952 123.14 PRESSAVG: 515800 27.6325 -76.0289 1.29745 -76.0289 -32.3943 61.0562 1.29745 61.0561 22.4674 GPRESSAVG: 515800 26.1516 -77.2757 0.722629 -74.724 -31.415 59.4605 2.32977 61.3669 22.6806 TIMING: 515800 CPU: 1689.91, 0.00325006/step Wall: 1689.91, 0.00325006/step, 4.04831 hours remaining, 230.675781 MB of memory in use. ENERGY: 515800 4071.5761 20455.9615 14446.6434 237.0560 -203304.5280 2561.4931 0.0000 0.0000 52264.5750 -109267.2228 300.3652 -161531.7978 -108902.7605 299.9655 -6.2461 27.8932 761186.3694 5.9018 5.8057 PRESSURE: 516000 -14.1299 85.1248 -93.6681 85.1244 -188.98 -339.256 -93.6688 -339.256 37.7466 GPRESSURE: 516000 95.659 50.8223 -57.1471 -58.5949 -250.593 -310.691 -79.2142 -268.9 94.3821 PRESSAVG: 516000 27.5692 -92.5608 5.39014 -92.5608 -7.59609 27.9808 5.3901 27.9808 32.7519 GPRESSAVG: 516000 27.6552 -92.9141 6.68724 -91.3984 -8.75647 28.6454 3.83681 27.7727 33.039 TIMING: 516000 CPU: 1690.55, 0.00318114/step Wall: 1690.55, 0.00318113/step, 3.96228 hours remaining, 230.675781 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: 516000 3998.0606 20563.3635 14416.5461 265.0389 -202860.2163 2292.2622 0.0000 0.0000 52112.9826 -109211.9623 299.4940 -161324.9450 -108851.9670 300.3768 -55.1210 -20.1838 761518.1950 17.5750 17.3126 PRESSURE: 516200 70.8938 -25.4794 -36.4296 -25.4795 -84.6387 -153.287 -36.4297 -153.288 -178.423 GPRESSURE: 516200 105.967 -49.0473 9.67219 21.8447 -82.1745 -123.042 -59.9203 -143.23 -137.966 PRESSAVG: 516200 54.6138 -77.3483 36.5481 -77.3483 -62.8245 20.6531 36.5482 20.6531 11.8503 GPRESSAVG: 516200 55.0796 -76.0368 35.3494 -78.8464 -62.6564 21.3744 37.9629 21.7524 11.0832 TIMING: 516200 CPU: 1691.18, 0.00313444/step Wall: 1691.18, 0.00313444/step, 3.90395 hours remaining, 230.675781 MB of memory in use. ENERGY: 516200 3952.3361 20480.0814 14457.8856 259.7044 -202682.3204 2193.3623 0.0000 0.0000 52238.8072 -109100.1434 300.2171 -161338.9506 -108728.9113 300.0960 -64.0558 -38.0578 761770.8991 1.2132 1.1688 LDB: ============= START OF LOAD BALANCING ============== 1703.6 LDB: ============== END OF LOAD BALANCING =============== 1703.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1703.6 LDB: ============= START OF LOAD BALANCING ============== 1703.91 LDB: Largest compute 7077 load 0.034019 is 17.4% of average load 0.195239 LDB: Average compute 0.004378 is 2.2% of average load 0.195239 LDB: TIME 1703.91 LOAD: AVG 0.195239 MAX 0.211883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.957 MB LDB: TIME 1703.92 LOAD: AVG 0.195239 MAX 0.211883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.156 MB LDB: TIME 1703.92 LOAD: AVG 0.195239 MAX 0.211883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.156 MB LDB: ============== END OF LOAD BALANCING =============== 1703.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1703.92 PRESSURE: 516400 -116.067 -28.5606 -34.5009 -28.5609 -132.694 -88.1699 -34.5005 -88.1701 27.2681 GPRESSURE: 516400 -27.023 -117.477 -8.42812 0.619566 -158.166 -76.3456 -6.46732 -57.3575 35.241 PRESSAVG: 516400 -0.0628848 -79.1066 -55.6835 -79.1066 18.7071 -25.9979 -55.6836 -25.9978 -36.0345 GPRESSAVG: 516400 0.563184 -79.1225 -56.6375 -78.634 18.2964 -26.6495 -56.364 -26.183 -36.0802 TIMING: 516400 CPU: 1691.82, 0.00319727/step Wall: 1691.82, 0.00319727/step, 3.98202 hours remaining, 232.281250 MB of memory in use. ENERGY: 516400 3902.5810 20524.0272 14436.6638 246.6122 -203336.0956 2578.6391 0.0000 0.0000 52343.7102 -109303.8622 300.8200 -161647.5724 -108934.4959 300.5756 -73.8312 -49.9827 760288.2659 -5.7967 -5.7402 PRESSURE: 516600 -39.7966 -43.8139 -79.7296 -43.8139 89.5179 -354.992 -79.7304 -354.992 372.046 GPRESSURE: 516600 -75.3121 -45.1921 -56.3995 -22.1819 191.423 -256.865 -142.031 -197.973 400.432 PRESSAVG: 516600 -3.105 -72.3363 12.8872 -72.3363 3.17397 16.4691 12.8872 16.469 -3.61591 GPRESSAVG: 516600 -2.95707 -73.6208 12.9489 -73.2207 3.89601 16.5307 11.3625 13.6935 -4.35213 TIMING: 516600 CPU: 1692.44, 0.00312535/step Wall: 1692.44, 0.00312535/step, 3.89228 hours remaining, 232.484375 MB of memory in use. ENERGY: 516600 4034.2495 20719.8365 14541.5709 246.5549 -203272.3408 2580.1007 0.0000 0.0000 51821.2799 -109328.7483 297.8176 -161150.0282 -108973.3358 299.8730 140.5892 172.1810 760114.0743 -1.1823 -1.1377 PRESSURE: 516800 114.966 52.5111 78.553 52.5107 59.6905 196.617 78.5535 196.618 163.396 GPRESSURE: 516800 35.7386 1.57894 54.6616 68.5155 154.201 183.07 76.0192 170.459 228.092 PRESSAVG: 516800 7.3227 -42.2173 -6.14691 -42.2173 -29.1877 4.21925 -6.14695 4.2192 22.748 GPRESSAVG: 516800 6.99727 -40.4357 -5.80625 -40.0205 -28.8068 5.61368 -3.32445 6.36753 22.9532 TIMING: 516800 CPU: 1693.07, 0.00312775/step Wall: 1693.07, 0.00312775/step, 3.89509 hours remaining, 232.484375 MB of memory in use. ENERGY: 516800 3927.1427 20631.1053 14566.7063 250.4706 -203451.1432 2473.6511 0.0000 0.0000 52295.3747 -109306.6924 300.5422 -161602.0671 -108941.6102 299.7880 112.6839 139.3437 759931.2777 0.2943 0.3813 PRESSURE: 517000 57.7798 -60.4063 197.875 -60.408 -206.37 -129.824 197.875 -129.823 -382.394 GPRESSURE: 517000 -5.69736 -94.7524 228.849 -24.2921 4.80795 -168.485 107.993 -11.5052 -431.722 PRESSAVG: 517000 39.4959 -17.7775 -22.7317 -17.7775 -25.3802 -44.8588 -22.7318 -44.8588 -15.6785 GPRESSAVG: 517000 38.4595 -19.1759 -23.9142 -20.0158 -24.0068 -45.0342 -24.0097 -44.8299 -15.7989 TIMING: 517000 CPU: 1693.69, 0.00310718/step Wall: 1693.69, 0.00310718/step, 3.86931 hours remaining, 232.484375 MB of memory in use. ENERGY: 517000 4000.3243 20650.8862 14475.3787 275.5775 -203367.3150 2479.4590 0.0000 0.0000 52215.3223 -109270.3669 300.0822 -161485.6892 -108908.8255 299.8466 -176.9949 -144.2039 761563.2977 -0.5209 -0.4487 PRESSURE: 517200 106.875 336.924 -47.7983 336.924 498.18 144.877 -47.7978 144.878 248.334 GPRESSURE: 517200 158.18 424.998 17.6651 179.243 506.788 161.059 0.525279 5.51058 261.605 PRESSAVG: 517200 38.7968 -24.676 -26.6966 -24.676 10.8475 -13.0456 -26.6965 -13.0455 31.8261 GPRESSAVG: 517200 38.8964 -25.4409 -26.6516 -25.2784 10.7033 -14.4986 -27.4234 -15.1335 31.5272 TIMING: 517200 CPU: 1694.31, 0.0031327/step Wall: 1694.31, 0.0031327/step, 3.90091 hours remaining, 232.484375 MB of memory in use. ENERGY: 517200 3883.1689 20560.0461 14507.4656 234.4514 -203423.8809 2631.8392 0.0000 0.0000 52070.6160 -109536.2936 299.2505 -161606.9096 -109166.9316 299.5239 284.4627 308.8578 760346.6394 27.1568 27.0423 PRESSURE: 517400 246.145 120.684 84.9856 120.683 167.918 68.3737 84.9849 68.3743 -317.617 GPRESSURE: 517400 230.149 9.22652 35.8789 148.952 114.512 26.094 238.8 102.368 -180.888 PRESSAVG: 517400 24.6602 -62.7686 -14.2161 -62.7686 -34.8202 -32.4828 -14.2161 -32.4828 1.18088 GPRESSAVG: 517400 24.1178 -62.7842 -13.5368 -60.5595 -35.8818 -30.9176 -11.1236 -32.9035 2.77666 TIMING: 517400 CPU: 1694.97, 0.00328249/step Wall: 1694.97, 0.00328249/step, 4.08725 hours remaining, 232.484375 MB of memory in use. ENERGY: 517400 3947.3365 20722.3536 14516.0477 263.6855 -203871.0812 2766.5431 0.0000 0.0000 52071.5309 -109583.5839 299.2558 -161655.1149 -109218.9418 299.4822 32.1486 54.5909 761039.8041 -2.9930 -2.9958 PRESSURE: 517600 -49.0884 236.991 90.0309 236.99 229.238 -198.806 90.0315 -198.805 297.444 GPRESSURE: 517600 26.4052 217.958 64.8421 191.703 212.64 -177.155 45.861 -122.327 325.061 PRESSAVG: 517600 12.9862 -139 -27.6963 -139 13.4496 -16.0474 -27.6963 -16.0475 -4.27443 GPRESSAVG: 517600 13.3488 -140.502 -27.3988 -138.699 12.9415 -17.4244 -29.4936 -14.2325 -4.55879 TIMING: 517600 CPU: 1695.63, 0.00329121/step Wall: 1695.63, 0.00329121/step, 4.09792 hours remaining, 232.484375 MB of memory in use. ENERGY: 517600 3903.5998 20693.5946 14419.2854 251.0215 -203752.1477 2729.7282 0.0000 0.0000 52011.1894 -109743.7288 298.9090 -161754.9182 -109391.1919 299.3008 159.1980 188.0351 760372.8083 7.3871 7.2438 PRESSURE: 517800 341.833 -30.9902 272.325 -30.9911 -204.216 90.787 272.326 90.7877 -48.5827 GPRESSURE: 517800 358.555 -85.2772 277.39 -106.833 -125.691 82.8794 171.412 204.563 -46.3277 PRESSAVG: 517800 23.1741 -67.4573 22.9584 -67.4572 20.6455 -8.5376 22.9584 -8.53768 11.2302 GPRESSAVG: 517800 23.1649 -65.3666 24.611 -69.9301 21.238 -7.21989 22.3401 -6.91152 10.5902 TIMING: 517800 CPU: 1696.28, 0.00326476/step Wall: 1696.28, 0.00326476/step, 4.0648 hours remaining, 232.484375 MB of memory in use. ENERGY: 517800 3989.8802 20429.7945 14439.0819 245.2451 -203717.2376 2614.6147 0.0000 0.0000 52144.9922 -109853.6291 299.6780 -161998.6213 -109486.2977 298.6895 29.6780 62.1790 761080.0784 18.3499 18.3311 PRESSURE: 518000 -160.046 178.309 -47.1387 178.309 57.184 -144.854 -47.1383 -144.854 36.1794 GPRESSURE: 518000 -78.8434 52.0004 -29.4802 154.675 18.8188 -83.4086 -53.6933 -174.757 92.8454 PRESSAVG: 518000 -50.2342 -62.8227 14.5227 -62.8227 -10.4872 19.3506 14.5228 19.3505 5.01862 GPRESSAVG: 518000 -50.5158 -62.8367 12.9192 -61.3238 -11.1422 18.8529 15.05 20.1977 5.73137 TIMING: 518000 CPU: 1696.91, 0.00314935/step Wall: 1696.91, 0.00314935/step, 3.92094 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 518000 3996.2474 20347.9923 14465.8340 261.5724 -203899.1400 2662.8690 0.0000 0.0000 52375.8775 -109788.7475 301.0049 -162164.6250 -109410.1441 298.8824 -22.2276 10.9403 760358.7136 -18.5676 -18.6422 PRESSURE: 518200 -108.409 -246.12 -125.497 -246.121 47.1831 -164.915 -125.498 -164.914 430.836 GPRESSURE: 518200 -47.3398 -146.207 -134.508 -46.7252 76.1295 -197.19 -88.0107 -318.54 426.08 PRESSAVG: 518200 1.4329 -49.6468 21.0934 -49.6468 15.8573 57.2995 21.0935 57.2995 0.578924 GPRESSAVG: 518200 1.49715 -50.6564 21.7156 -47.0159 14.7629 58.4295 18.9824 54.485 1.52785 TIMING: 518200 CPU: 1697.54, 0.00315006/step Wall: 1697.54, 0.00315006/step, 3.92165 hours remaining, 232.484375 MB of memory in use. ENERGY: 518200 3881.5924 20522.8496 14407.8853 237.3557 -203463.3297 2564.2050 0.0000 0.0000 52054.3080 -109795.1337 299.1568 -161849.4417 -109425.6314 299.0815 123.2034 151.6234 760588.3236 5.9564 5.9293 PRESSURE: 518400 -121.795 -30.6725 -114.37 -30.6732 8.47491 135.938 -114.37 135.938 -109.475 GPRESSURE: 518400 -43.7053 -39.979 -99.5307 -41.0315 42.9386 137.272 -120.319 243.916 -125.958 PRESSAVG: 518400 25.239 -13.8703 -40.0429 -13.8703 24.3914 19.2948 -40.0429 19.2948 13.3069 GPRESSAVG: 518400 25.6733 -13.2268 -39.8264 -14.8035 25.7377 18.3565 -37.9849 18.471 11.3782 TIMING: 518400 CPU: 1698.17, 0.00313135/step Wall: 1698.17, 0.00313135/step, 3.89818 hours remaining, 232.484375 MB of memory in use. ENERGY: 518400 4028.0618 20498.3077 14382.5223 238.4230 -203859.1936 2830.5629 0.0000 0.0000 52217.6118 -109663.7041 300.0953 -161881.3160 -109298.4958 299.3097 -74.2650 -42.2415 760704.8043 20.9791 20.9297 PRESSURE: 518600 -4.14231 -175.696 -35.2988 -175.695 49.3845 -88.1184 -35.2983 -88.1176 39.3628 GPRESSURE: 518600 64.8937 -95.6829 -112.506 -106.618 65.1955 -35.0976 64.4376 -131.043 35.0164 PRESSAVG: 518600 11.2974 -6.89641 19.3323 -6.89636 -4.06453 -19.2595 19.3324 -19.2595 -2.35396 GPRESSAVG: 518600 10.3333 -6.81278 19.1134 -8.71286 -2.79517 -18.4031 18.1496 -19.0089 -2.53401 TIMING: 518600 CPU: 1698.8, 0.00313339/step Wall: 1698.8, 0.00313339/step, 3.90055 hours remaining, 232.484375 MB of memory in use. ENERGY: 518600 3995.8019 20613.6124 14325.6881 252.4858 -203564.3492 2643.8352 0.0000 0.0000 52022.2312 -109710.6948 298.9725 -161732.9259 -109338.4811 299.1865 28.2017 55.0352 760984.5656 1.6263 1.6680 PRESSURE: 518800 -239.679 -25.1148 -167.886 -25.1149 -257.497 -274.659 -167.886 -274.658 -200.738 GPRESSURE: 518800 -202.666 -61.2155 -131.961 41.2363 -287.935 -244.389 -124.386 -299.688 -118.348 PRESSAVG: 518800 -18.4439 5.07221 27.6681 5.07225 -0.51943 -12.4908 27.6682 -12.4907 13.1715 GPRESSAVG: 518800 -18.3787 5.55929 26.5231 4.92934 -0.511964 -13.1576 29.8122 -10.9712 13.3016 TIMING: 518800 CPU: 1699.42, 0.00314138/step Wall: 1699.42, 0.00314138/step, 3.91032 hours remaining, 232.484375 MB of memory in use. ENERGY: 518800 4050.9375 20554.9699 14379.1420 230.2906 -203602.1824 2434.5286 0.0000 0.0000 52112.4148 -109839.8990 299.4908 -161952.3138 -109474.7866 298.5508 -232.6377 -202.9832 759873.1632 -1.9306 -1.8630 PRESSURE: 519000 439.521 -91.1321 -35.4013 -91.1323 224.659 -9.64288 -35.4019 -9.64237 69.2059 GPRESSURE: 519000 469.326 -138.388 20.0382 -85.7868 174.272 44.1897 -75.971 -78.0595 162.112 PRESSAVG: 519000 32.9443 -34.0684 -4.58001 -34.0683 -30.6117 -59.3718 -4.58001 -59.3718 9.81275 GPRESSAVG: 519000 34.1154 -36.2652 -3.3581 -33.903 -32.7606 -60.7901 -5.82764 -57.9763 10.4141 TIMING: 519000 CPU: 1700.05, 0.0031364/step Wall: 1700.05, 0.0031364/step, 3.90395 hours remaining, 232.484375 MB of memory in use. ENERGY: 519000 3983.1911 20482.9041 14423.8143 247.3631 -203703.1958 2520.6972 0.0000 0.0000 52095.8569 -109949.3691 299.3956 -162045.2260 -109592.2701 298.8829 244.4620 268.5702 760806.7187 4.0484 3.9230 PRESSURE: 519200 186.112 -72.0371 69.9008 -72.0375 58.2051 45.4239 69.9 45.4225 -197.544 GPRESSURE: 519200 125.705 -76.3747 20.6423 -35.9518 171.082 127.886 87.7251 35.6571 -159.959 PRESSAVG: 519200 -1.025 -64.6692 26.3733 -64.6691 29.3604 -10.1496 26.3733 -10.1496 18.6431 GPRESSAVG: 519200 -1.43512 -63.4698 25.4737 -63.7738 29.5948 -8.80716 26.4784 -13.225 19.7077 TIMING: 519200 CPU: 1700.73, 0.0033781/step Wall: 1700.73, 0.0033781/step, 4.2046 hours remaining, 232.484375 MB of memory in use. ENERGY: 519200 3957.1319 20607.3988 14362.5088 232.4519 -203935.5826 2939.7052 0.0000 0.0000 51692.4676 -110143.9184 297.0773 -161836.3860 -109776.9088 298.6441 15.5910 45.6096 761327.7260 15.6595 15.9558 PRESSURE: 519400 320.469 -6.45341 81.1454 -6.4543 344.319 179.571 81.1447 179.569 177.465 GPRESSURE: 519400 316.468 58.8636 79.8977 -30.8017 333.486 94.8318 -139.414 139.174 282.876 PRESSAVG: 519400 7.82488 10.0003 -14.7054 10.0003 -9.90118 32.1835 -14.7054 32.1835 -8.51517 GPRESSAVG: 519400 6.66019 11.3183 -13.0768 9.46339 -8.26418 30.7552 -15.9073 34.8908 -9.1844 TIMING: 519400 CPU: 1701.36, 0.00317386/step Wall: 1701.36, 0.00317386/step, 3.95022 hours remaining, 232.484375 MB of memory in use. ENERGY: 519400 3950.4556 20349.9571 14373.3146 230.8499 -203975.0638 3084.0477 0.0000 0.0000 51918.2572 -110068.1817 298.3749 -161986.4390 -109717.2887 298.5057 280.7512 310.9435 761359.0520 -3.5305 -3.5961 PRESSURE: 519600 186.389 126.485 -5.64052 126.485 -18.601 -23.52 -5.63996 -23.5192 264.237 GPRESSURE: 519600 212.942 164.598 -98.0265 98.1994 67.1852 -56.1223 -30.5835 13.3943 244.785 PRESSAVG: 519600 24.4413 14.4424 -28.2387 14.4424 14.9583 35.4476 -28.2388 35.4476 30.1966 GPRESSAVG: 519600 26.3983 11.5681 -28.3166 16.562 13.7118 35.082 -29.5984 34.2507 29.3342 TIMING: 519600 CPU: 1702.02, 0.00328393/step Wall: 1702.02, 0.00328393/step, 4.08703 hours remaining, 232.484375 MB of memory in use. ENERGY: 519600 3979.7318 20445.1711 14391.5319 225.4023 -203276.1822 2417.7394 0.0000 0.0000 51946.2699 -109870.3357 298.5359 -161816.6056 -109500.0072 298.8784 144.0084 174.9705 760383.9509 23.1987 23.1481 PRESSURE: 519800 -68.6742 -49.5944 72.4548 -49.5956 -272.678 -82.0957 72.4542 -82.0958 -247.956 GPRESSURE: 519800 -94.0953 -56.5313 21.3318 6.61399 -226.675 -12.184 203.449 -173.612 -177.491 PRESSAVG: 519800 12.3227 -34.0477 7.34291 -34.0477 -15.8209 39.5717 7.34293 39.5717 -2.70633 GPRESSAVG: 519800 11.4828 -29.9314 4.8147 -35.0398 -15.21 39.115 11.4812 39.0406 -2.73539 TIMING: 519800 CPU: 1702.64, 0.00311595/step Wall: 1702.64, 0.00311595/step, 3.87779 hours remaining, 232.484375 MB of memory in use. ENERGY: 519800 4013.0081 20538.7515 14413.7259 229.4028 -203319.2524 2456.2775 0.0000 0.0000 51889.9958 -109778.0907 298.2125 -161668.0865 -109418.9573 298.6838 -196.4359 -166.0869 760785.8657 -2.0682 -2.1542 PRESSURE: 520000 79.2012 -5.23796 -121.855 -5.23854 -119.826 128.788 -121.855 128.788 75.4569 GPRESSURE: 520000 99.8588 68.9233 -103.385 37.2266 -58.3826 132.392 84.3198 128.887 76.298 PRESSAVG: 520000 1.7722 -32.5802 -26.8326 -32.5802 -8.8817 22.6808 -26.8326 22.6807 -12.3414 GPRESSAVG: 520000 2.28012 -34.2726 -26.6452 -34.3721 -10.7298 22.5345 -26.3095 25.0755 -11.3945 TIMING: 520000 CPU: 1703.27, 0.00312174/step Wall: 1703.27, 0.00312174/step, 3.88483 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 520000 3922.1155 20623.8015 14385.4645 248.6485 -203432.2772 2353.6004 0.0000 0.0000 52099.2917 -109799.3551 299.4153 -161898.6468 -109443.6802 298.6801 11.6107 39.2580 760506.9754 -6.4836 -6.6147 PRESSURE: 520200 -191.591 102.071 -75.7975 102.071 80.6544 -202.326 -75.7978 -202.326 37.6207 GPRESSURE: 520200 -118.912 120.272 -12.5129 115.137 140.345 -273.904 -47.4385 -132.657 -14.9917 PRESSAVG: 520200 14.0352 -17.6113 7.49137 -17.6113 21.0485 -28.27 7.49134 -28.27 -0.431344 GPRESSAVG: 520200 13.6147 -17.4772 10.1404 -17.5596 22.0403 -27.1822 5.06207 -28.6271 -0.417718 TIMING: 520200 CPU: 1703.89, 0.00313215/step Wall: 1703.89, 0.00313215/step, 3.89762 hours remaining, 232.484375 MB of memory in use. ENERGY: 520200 3971.9208 20524.7784 14360.1122 252.8939 -203646.6391 2658.3005 0.0000 0.0000 51958.8009 -109919.8325 298.6079 -161878.6334 -109557.6739 298.7652 -24.4386 2.1469 760595.3994 11.5508 11.7458 LDB: ============= START OF LOAD BALANCING ============== 1716.31 LDB: ============== END OF LOAD BALANCING =============== 1716.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1716.31 LDB: ============= START OF LOAD BALANCING ============== 1716.64 LDB: Largest compute 7049 load 0.033363 is 17.1% of average load 0.195301 LDB: Average compute 0.004369 is 2.2% of average load 0.195301 LDB: TIME 1716.64 LOAD: AVG 0.195301 MAX 0.211577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.246 MB LDB: TIME 1716.64 LOAD: AVG 0.195301 MAX 0.211577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: TIME 1716.64 LOAD: AVG 0.195301 MAX 0.211577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: ============== END OF LOAD BALANCING =============== 1716.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1716.65 PRESSURE: 520400 -144.371 -64.469 268.596 -64.4681 -13.8389 114.593 268.596 114.592 -159.021 GPRESSURE: 520400 -169.785 -77.8168 242.685 18.1316 43.8754 119.118 175.57 139.927 -107.031 PRESSAVG: 520400 8.73422 -14.1509 -0.762144 -14.1509 14.6334 20.9048 -0.762138 20.9048 -10.2656 GPRESSAVG: 520400 8.89022 -15.2396 -2.64653 -14.8555 15.1826 22.9391 1.19394 16.7324 -11.0591 TIMING: 520400 CPU: 1704.54, 0.00326064/step Wall: 1704.54, 0.00326064/step, 4.05733 hours remaining, 231.250000 MB of memory in use. ENERGY: 520400 3957.9569 20403.4500 14395.8179 223.4680 -204010.2754 2887.8882 0.0000 0.0000 52139.6152 -110002.0791 299.6471 -162141.6943 -109635.6275 298.9274 -105.7438 -77.6469 761804.3417 4.3673 4.3379 PRESSURE: 520600 9.61427 -54.0638 -29.1999 -54.0642 -115.727 -292.103 -29.1998 -292.104 48.2447 GPRESSURE: 520600 -19.553 -111.994 -61.9131 -11.5029 -9.745 -244.008 16.8888 -97.4748 62.7839 PRESSAVG: 520600 4.23336 -6.56221 20.7678 -6.56223 -20.5746 42.5285 20.7678 42.5286 20.2909 GPRESSAVG: 520600 3.7523 -3.56462 19.7217 -7.06112 -19.0951 43.3132 19.2704 44.8196 19.1285 TIMING: 520600 CPU: 1705.17, 0.00313804/step Wall: 1705.17, 0.00313804/step, 3.90459 hours remaining, 231.453125 MB of memory in use. ENERGY: 520600 3942.9828 20439.1490 14421.7584 240.7037 -203116.3874 2326.9233 0.0000 0.0000 51838.0021 -109906.8680 297.9137 -161744.8701 -109550.2999 298.1397 -19.2894 11.1620 760643.6232 1.3166 1.2619 PRESSURE: 520800 -477.82 -195.214 279.591 -195.212 -156.854 -97.2013 279.591 -97.201 -245.856 GPRESSURE: 520800 -348.583 -206.51 286.145 -197.901 -236.999 -48.8791 236.577 65.202 -201.531 PRESSAVG: 520800 -13.3078 -44.8681 12.9164 -44.8681 49.3169 3.58859 12.9164 3.58865 -11.7621 GPRESSAVG: 520800 -13.9513 -45.949 14.3629 -44.1701 46.9591 2.29598 13.6714 6.25412 -9.46123 TIMING: 520800 CPU: 1705.79, 0.00311646/step Wall: 1705.79, 0.00311646/step, 3.87757 hours remaining, 231.453125 MB of memory in use. ENERGY: 520800 4028.0628 20495.9018 14392.7537 235.5706 -203408.8830 2335.7628 0.0000 0.0000 51877.6638 -110043.1675 298.1416 -161920.8313 -109684.4010 298.4163 -293.5100 -262.3712 761036.6326 8.0823 7.8488 PRESSURE: 521000 42.295 -39.4147 4.31374 -39.4146 143.781 229.653 4.31255 229.654 68.4868 GPRESSURE: 521000 124.391 -72.7327 -59.6485 -29.7467 160.962 214.593 60.4801 193.816 62.2109 PRESSAVG: 521000 6.62493 -27.4591 8.25959 -27.4591 -22.3034 55.7851 8.25955 55.7851 11.8551 GPRESSAVG: 521000 6.60056 -29.5365 7.47554 -27.1952 -20.5138 56.0605 8.71023 53.8097 10.5466 TIMING: 521000 CPU: 1706.42, 0.00312976/step Wall: 1706.42, 0.00312976/step, 3.89394 hours remaining, 231.453125 MB of memory in use. ENERGY: 521000 4019.8810 20418.7545 14427.7345 266.9143 -203870.2321 2663.9659 0.0000 0.0000 52101.8841 -109971.0979 299.4302 -162072.9819 -109607.1660 298.2749 84.8542 115.8546 759708.7953 -1.2745 -1.1222 PRESSURE: 521200 -196.024 29.1895 227.063 29.189 -223.428 221.719 227.063 221.72 -135.566 GPRESSURE: 521200 -94.1418 16.2002 182.538 90.4173 -207.154 147.188 160.632 88.1452 -182.807 PRESSAVG: 521200 -3.97532 -22.2013 33.2099 -22.2014 3.15657 66.3657 33.2099 66.3657 5.82229 GPRESSAVG: 521200 -2.94546 -21.3895 34.478 -20.8036 1.96325 63.3305 31.0695 65.3209 5.90532 TIMING: 521200 CPU: 1707.05, 0.00313539/step Wall: 1707.05, 0.00313539/step, 3.90078 hours remaining, 231.453125 MB of memory in use. ENERGY: 521200 3961.1998 20693.4000 14376.8153 232.3907 -203636.2920 2445.6424 0.0000 0.0000 52017.7627 -109909.0812 298.9468 -161926.8438 -109550.5175 298.5985 -185.0061 -161.3676 759849.7183 1.6678 1.6410 PRESSURE: 521400 83.3824 177.49 159.448 177.49 -218.469 -121.041 159.449 -121.04 -352.587 GPRESSURE: 521400 125.83 157.335 101.728 167.635 -283.58 -150.196 115.941 -63.711 -271.117 PRESSAVG: 521400 22.923 -82.7284 36.93 -82.7283 6.88004 2.89987 36.93 2.89982 11.574 GPRESSAVG: 521400 22.721 -82.5819 36.3149 -82.404 6.64735 6.33689 37.2632 4.48827 11.7499 TIMING: 521400 CPU: 1707.67, 0.00313176/step Wall: 1707.67, 0.00313176/step, 3.89609 hours remaining, 231.453125 MB of memory in use. ENERGY: 521400 3991.0457 20731.6157 14446.0560 254.7130 -203477.5886 2522.5410 0.0000 0.0000 52022.6994 -109508.9178 298.9752 -161531.6172 -109142.7480 298.9727 -162.5581 -142.9556 759358.3819 13.7924 13.7061 PRESSURE: 521600 -409.909 90.3817 -208.083 90.3825 99.3704 -279.008 -208.083 -279.008 47.9133 GPRESSURE: 521600 -413.5 91.4741 -167.787 96.4271 141.491 -218.044 -182.312 -241.722 81.4536 PRESSAVG: 521600 4.403 -5.28043 -16.2381 -5.28042 13.9583 -22.0014 -16.2381 -22.0014 -27.1973 GPRESSAVG: 521600 5.10088 -6.63142 -16.701 -6.17864 13.3826 -23.3583 -15.9607 -21.0314 -27.3396 TIMING: 521600 CPU: 1708.31, 0.00315506/step Wall: 1708.31, 0.00315506/step, 3.92489 hours remaining, 231.453125 MB of memory in use. ENERGY: 521600 4026.1292 20667.2385 14444.1642 247.2441 -203270.0867 2226.9776 0.0000 0.0000 51933.0860 -109725.2472 298.4602 -161658.3331 -109362.7961 298.9835 -87.5419 -63.5184 759929.2660 -2.9453 -2.9520 PRESSURE: 521800 314.115 -125.048 304.068 -125.048 -162.975 92.0792 304.068 92.0794 164.638 GPRESSURE: 521800 305.378 -165.753 190.46 -87.8926 -159.02 42.3782 341.673 197.534 262.345 PRESSAVG: 521800 0.565198 -37.1217 35.3602 -37.1217 -17.874 -13.9264 35.3602 -13.9264 15.9806 GPRESSAVG: 521800 -1.62723 -35.6165 35.475 -36.6243 -16.4703 -12.758 36.1852 -15.3017 16.8119 TIMING: 521800 CPU: 1708.93, 0.00312372/step Wall: 1708.93, 0.00312372/step, 3.88573 hours remaining, 231.453125 MB of memory in use. ENERGY: 521800 3958.3964 20499.3830 14351.9394 271.9493 -203206.0241 2479.8656 0.0000 0.0000 52023.2682 -109621.2223 298.9784 -161644.4905 -109256.5804 299.1747 105.2591 136.2344 760139.2290 -0.4427 -0.4285 PRESSURE: 522000 18.9001 -22.9046 31.4054 -22.9051 -58.8027 -89.7739 31.4049 -89.7738 253.439 GPRESSURE: 522000 82.1838 -39.3135 -11.3188 -130.463 -83.3948 -8.58813 75.1225 -43.8563 279.256 PRESSAVG: 522000 54.3468 -0.584898 -42.6817 -0.584961 -25.5514 29.8509 -42.6816 29.8509 14.4983 GPRESSAVG: 522000 55.8469 1.58047 -43.2433 -2.79859 -26.0732 30.9499 -41.4593 29.0923 13.6134 TIMING: 522000 CPU: 1709.55, 0.00312497/step Wall: 1709.55, 0.00312497/step, 3.88711 hours remaining, 231.453125 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: 522000 3897.3204 20678.8682 14432.4488 246.9456 -203166.3309 2361.7496 0.0000 0.0000 52009.4066 -109539.5917 298.8988 -161548.9983 -109176.6327 299.4780 71.1790 92.6815 759548.2325 14.4312 14.4624 PRESSURE: 522200 530.192 -221.531 86.3745 -221.53 170.218 -20.7503 86.3739 -20.7503 54.3146 GPRESSURE: 522200 490.929 -189.147 74.119 -154.497 258.363 -87.1379 82.1316 6.65092 95.8867 PRESSAVG: 522200 22.5933 -25.9755 24.8508 -25.9755 -62.0485 49.9271 24.8509 49.927 19.5096 GPRESSAVG: 522200 22.9206 -29.9034 24.8085 -24.5151 -61.7403 47.6373 22.8047 50.9877 18.923 TIMING: 522200 CPU: 1710.18, 0.00312102/step Wall: 1710.18, 0.00312102/step, 3.88202 hours remaining, 231.453125 MB of memory in use. ENERGY: 522200 4004.1577 20530.3217 14348.9282 230.9936 -203282.6343 2345.9908 0.0000 0.0000 52250.1842 -109572.0582 300.2825 -161822.2424 -109208.2725 299.1639 251.5749 281.7262 760603.4448 -6.6485 -6.6322 PRESSURE: 522400 -318.608 230.485 -0.0090517 230.484 -316.917 163.61 -0.00942062 163.61 -174.592 GPRESSURE: 522400 -244.248 212.092 -5.59621 209.898 -307.255 191.522 -65.0866 129.715 -181.285 PRESSAVG: 522400 38.2375 29.7074 -25.5033 29.7074 -17.4212 84.5277 -25.5034 84.5276 -27.5385 GPRESSAVG: 522400 38.8712 30.4972 -24.9875 30.2728 -18.4471 83.9797 -25.7485 83.7236 -26.2315 TIMING: 522400 CPU: 1710.8, 0.00312642/step Wall: 1710.8, 0.00312642/step, 3.88858 hours remaining, 231.453125 MB of memory in use. ENERGY: 522400 4067.9898 20643.4190 14390.7464 263.9613 -203565.3124 2424.0785 0.0000 0.0000 52142.5529 -109632.5644 299.6640 -161775.1173 -109274.0651 299.5319 -270.0389 -244.2627 761556.7412 -2.2407 -1.9358 PRESSURE: 522600 250.094 -21.972 151.458 -21.9728 558.519 177.852 151.458 177.853 208.246 GPRESSURE: 522600 256.34 79.1626 107.428 46.1491 590.483 178.679 9.19019 181.638 251.319 PRESSAVG: 522600 61.4312 10.4571 -2.61678 10.4571 -29.4241 18.0293 -2.61682 18.0293 10.6229 GPRESSAVG: 522600 61.7358 12.2594 -2.30629 9.51113 -28.7398 19.1782 -1.81806 18.5403 9.75226 TIMING: 522600 CPU: 1711.43, 0.00310969/step Wall: 1711.43, 0.00310969/step, 3.86759 hours remaining, 231.453125 MB of memory in use. ENERGY: 522600 4043.3972 20869.0890 14358.1073 232.2710 -203446.9873 2288.8516 0.0000 0.0000 52220.0320 -109435.2392 300.1092 -161655.2712 -109075.7374 299.9438 338.9529 366.0473 758712.6698 14.2100 14.2494 PRESSURE: 522800 -128.751 -83.5162 -284.154 -83.5157 20.1837 230.593 -284.154 230.592 -216.899 GPRESSURE: 522800 -134.159 -16.3448 -226.239 33.6458 25.6152 248.298 -304.892 303.162 -153.201 PRESSAVG: 522800 14.8259 39.4031 -2.18912 39.403 -17.5142 20.7997 -2.18909 20.7997 -17.6772 GPRESSAVG: 522800 13.6599 40.5356 -4.39773 37.8206 -16.9201 21.5999 -1.79931 18.6529 -17.1158 TIMING: 522800 CPU: 1712.05, 0.00312229/step Wall: 1712.05, 0.00312229/step, 3.88308 hours remaining, 231.453125 MB of memory in use. ENERGY: 522800 4003.6721 20762.4312 14458.1184 243.9195 -204103.9902 2696.6415 0.0000 0.0000 52253.4948 -109685.7127 300.3016 -161939.2075 -109319.9245 299.9546 -108.4888 -87.2481 759664.9150 -6.7885 -6.7920 PRESSURE: 523000 257.334 -130.227 -253.51 -130.226 256.327 11.584 -253.51 11.5848 270.537 GPRESSURE: 523000 259.049 -85.3319 -147.108 -122.966 262.955 13.6479 -146.335 76.1338 336.32 PRESSAVG: 523000 -51.9188 -29.1693 -3.11548 -29.1693 13.466 23.9313 -3.11554 23.9314 -16.1048 GPRESSAVG: 523000 -51.9308 -31.4966 -1.05746 -27.2189 13.0763 23.5504 -3.22883 23.7472 -15.6678 TIMING: 523000 CPU: 1712.67, 0.00311737/step Wall: 1712.67, 0.00311737/step, 3.8768 hours remaining, 231.453125 MB of memory in use. ENERGY: 523000 3916.2322 20641.3467 14433.2026 238.6467 -203332.9151 2259.6655 0.0000 0.0000 52203.2001 -109640.6212 300.0125 -161843.8213 -109272.1507 298.9042 261.3997 286.1082 759004.6507 -18.1859 -18.1741 PRESSURE: 523200 32.3643 -76.044 -4.04691 -76.0445 -422.118 -182.489 -4.04664 -182.489 -211.496 GPRESSURE: 523200 -24.3923 -194.484 -78.4576 9.46333 -321.874 -224.314 32.7838 -72.3226 -152.195 PRESSAVG: 523200 -1.62231 -35.6972 -8.99439 -35.6972 -11.2172 29.7078 -8.9944 29.7078 -16.1763 GPRESSAVG: 523200 -1.43183 -35.1618 -9.31533 -37.1756 -9.53215 28.0477 -9.84171 31.725 -17.3435 TIMING: 523200 CPU: 1713.3, 0.00311033/step Wall: 1713.3, 0.00311033/step, 3.86787 hours remaining, 231.453125 MB of memory in use. ENERGY: 523200 3985.3488 20412.6558 14444.5528 244.8658 -202919.9643 2163.7854 0.0000 0.0000 51951.6554 -109717.1002 298.5669 -161668.7556 -109352.0031 299.1787 -200.4165 -166.1536 760745.4721 -9.6719 -9.4358 PRESSURE: 523400 -300.822 -21.7647 111.171 -21.7651 111.447 -124.845 111.17 -124.844 97.328 GPRESSURE: 523400 -60.4185 -30.2987 51.4734 -70.6506 -58.6257 -121.353 14.5781 -85.5182 115.061 PRESSAVG: 523400 79.6995 -53.0691 -2.45168 -53.0691 -71.8039 -36.6074 -2.45165 -36.6075 -5.76229 GPRESSAVG: 523400 80.0978 -52.8923 -4.02335 -52.6607 -72.6555 -36.5371 -2.13464 -34.9395 -5.08706 TIMING: 523400 CPU: 1713.92, 0.00310717/step Wall: 1713.92, 0.00310717/step, 3.86376 hours remaining, 231.453125 MB of memory in use. ENERGY: 523400 3977.7707 20648.9161 14492.0512 247.2018 -203780.3192 2721.5193 0.0000 0.0000 52032.8157 -109660.0444 299.0333 -161692.8601 -109305.4575 299.1910 -30.6825 -1.3277 760408.9585 0.7111 0.7851 PRESSURE: 523600 224.353 -82.2403 87.1305 -82.2407 119.248 97.0313 87.1309 97.03 167.425 GPRESSURE: 523600 163.642 -88.4588 28.6008 -216.441 170.302 111.68 100.204 -11.9063 245.41 PRESSAVG: 523600 25.8737 -24.5253 22.346 -24.5254 -11.9879 -42.485 22.3461 -42.4851 -6.68645 GPRESSAVG: 523600 26.7313 -25.8191 22.5171 -24.2292 -12.2888 -40.6963 23.7582 -46.1153 -7.40292 TIMING: 523600 CPU: 1714.54, 0.00311162/step Wall: 1714.54, 0.00311162/step, 3.86913 hours remaining, 231.453125 MB of memory in use. ENERGY: 523600 3918.9815 20624.7039 14529.3470 233.9997 -203952.6628 2822.3978 0.0000 0.0000 52021.1895 -109802.0435 298.9665 -161823.2329 -109451.0327 299.5259 170.3419 193.1178 759453.1336 2.3998 2.3466 PRESSURE: 523800 -104.423 90.1902 117.565 90.1889 -33.5038 142.298 117.565 142.298 41.4786 GPRESSURE: 523800 -178.759 82.9947 30.5112 210.179 60.0241 166.915 149.345 50.8304 107.118 PRESSAVG: 523800 -12.7422 -7.83549 45.2365 -7.83543 26.0258 30.5781 45.2366 30.578 5.73342 GPRESSAVG: 523800 -14.2194 -6.50406 45.9173 -8.55541 26.1099 29.7055 42.9492 31.4468 6.82827 TIMING: 523800 CPU: 1715.16, 0.00310911/step Wall: 1715.16, 0.00310911/step, 3.86583 hours remaining, 231.453125 MB of memory in use. ENERGY: 523800 3950.2811 20512.7470 14461.9423 256.7264 -203700.1390 2799.5510 0.0000 0.0000 52071.3444 -109647.5468 299.2547 -161718.8912 -109293.8304 299.0400 -32.1494 -3.8723 759799.5406 6.3390 6.2396 PRESSURE: 524000 -185.543 -253.536 -50.3821 -253.536 -312.613 -147.584 -50.3823 -147.584 -575.792 GPRESSURE: 524000 -272.132 -215.651 98.7579 -192.303 -251.323 -170.85 -29.0536 -49.9849 -461.269 PRESSAVG: 524000 23.8588 13.3665 -22.0812 13.3665 1.0228 38.6649 -22.0811 38.6649 2.34703 GPRESSAVG: 524000 23.4636 15.1063 -21.872 15.2859 2.11052 39.2069 -20.3886 38.1779 1.41796 TIMING: 524000 CPU: 1715.78, 0.00310305/step Wall: 1715.78, 0.00310305/step, 3.85812 hours remaining, 231.453125 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: 524000 3986.6277 20629.4583 14447.9178 249.8248 -202975.0707 2089.5179 0.0000 0.0000 51878.3987 -109693.3254 298.1459 -161571.7241 -109334.6586 299.4540 -357.9828 -328.2413 759925.6157 9.0762 8.9973 PRESSURE: 524200 -442.747 -20.1706 -39.7157 -20.1701 -193.763 -3.91481 -39.7148 -3.91434 318.427 GPRESSURE: 524200 -356.487 17.0724 -88.2162 -26.4546 -179.775 -2.74727 -34.9649 101.561 308.228 PRESSAVG: 524200 -42.4059 -32.1011 14.4741 -32.101 26.2946 1.93449 14.4741 1.93454 18.8752 GPRESSAVG: 524200 -42.3414 -32.8102 14.6328 -34.3804 25.3981 0.819908 12.6213 3.52801 20.1176 TIMING: 524200 CPU: 1716.41, 0.00312746/step Wall: 1716.41, 0.00312746/step, 3.8883 hours remaining, 231.453125 MB of memory in use. ENERGY: 524200 3913.0447 20555.8360 14421.0798 272.5740 -203363.4430 2368.5002 0.0000 0.0000 52118.8690 -109713.5393 299.5279 -161832.4083 -109350.7129 299.2117 -106.0278 -76.0112 760546.8505 0.9213 1.0581 LDB: ============= START OF LOAD BALANCING ============== 1728.83 LDB: ============== END OF LOAD BALANCING =============== 1728.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1728.83 LDB: ============= START OF LOAD BALANCING ============== 1729.14 LDB: Largest compute 7030 load 0.035097 is 18.0% of average load 0.195337 LDB: Average compute 0.004383 is 2.2% of average load 0.195337 LDB: TIME 1729.14 LOAD: AVG 0.195337 MAX 0.214397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 1729.14 LOAD: AVG 0.195337 MAX 0.214397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.023 MB LDB: TIME 1729.14 LOAD: AVG 0.195337 MAX 0.214397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.023 MB LDB: ============== END OF LOAD BALANCING =============== 1729.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1729.15 PRESSURE: 524400 145.643 94.6857 -4.48126 94.6858 -96.746 -173.81 -4.48157 -173.81 45.2268 GPRESSURE: 524400 127.002 98.3328 -34.9262 20.7483 -62.0287 -124.317 -65.0952 -55.0613 81.2999 PRESSAVG: 524400 9.07946 -5.87973 29.1896 -5.87973 17.3626 42.8905 29.1895 42.8905 1.34408 GPRESSAVG: 524400 9.45789 -8.32539 28.1403 -2.59815 17.0841 42.9199 30.2697 41.8212 1.09707 TIMING: 524400 CPU: 1717.04, 0.00317899/step Wall: 1717.04, 0.00317899/step, 3.9522 hours remaining, 231.714844 MB of memory in use. ENERGY: 524400 3976.7159 20561.3709 14388.0986 255.2199 -203761.6504 2789.3150 0.0000 0.0000 52209.3790 -109581.5510 300.0480 -161790.9301 -109211.0827 299.5256 31.3747 48.7578 759619.1817 9.2621 9.2130 PRESSURE: 524600 -114.679 -91.6411 -121.513 -91.6404 331.968 -166.803 -121.514 -166.802 425.002 GPRESSURE: 524600 55.9134 7.73253 -112.036 1.1007 279.488 -211.232 -144.644 -118.828 394.592 PRESSAVG: 524600 -5.83308 13.7454 -5.60523 13.7453 75.092 -21.5712 -5.60523 -21.5712 15.645 GPRESSAVG: 524600 -4.53698 15.7414 -5.35493 13.058 74.5447 -20.5095 -5.60317 -21.0277 14.8127 TIMING: 524600 CPU: 1717.67, 0.00312444/step Wall: 1717.67, 0.00312444/step, 3.88419 hours remaining, 231.914062 MB of memory in use. ENERGY: 524600 3890.9437 20442.2777 14423.0921 249.6881 -203650.8021 2791.8519 0.0000 0.0000 52167.3368 -109685.6118 299.8064 -161852.9485 -109329.5107 299.5463 214.0968 243.3312 761428.5075 28.3013 28.2735 PRESSURE: 524800 -156.937 175.155 -124.29 175.155 -37.752 9.58629 -124.29 9.58704 -193.839 GPRESSURE: 524800 -121.403 191.946 -184.502 141.121 -22.2345 20.3515 46.1671 -10.0937 -161.262 PRESSAVG: 524800 -11.4374 33.7561 23.2171 33.7562 9.24502 -21.0109 23.2171 -21.0109 -10.4985 GPRESSAVG: 524800 -12.3761 32.3067 21.624 32.3299 10.1877 -21.5127 26.3549 -20.9505 -10.2521 TIMING: 524800 CPU: 1718.29, 0.00312265/step Wall: 1718.29, 0.00312265/step, 3.8818 hours remaining, 231.914062 MB of memory in use. ENERGY: 524800 4022.5733 20567.6003 14440.0719 258.2445 -203384.7008 2421.7948 0.0000 0.0000 52044.3483 -109630.0677 299.0996 -161674.4160 -109270.3170 299.0801 -129.5093 -101.6330 761256.0027 -4.2303 -4.1468 PRESSURE: 525000 -89.1308 -75.9761 7.48493 -75.9763 8.01895 -44.1587 7.48431 -44.1585 572.65 GPRESSURE: 525000 -8.83156 -72.5346 61.7699 -112.367 -60.4187 12.0148 5.25982 78.4468 637.227 PRESSAVG: 525000 -53.6636 25.8341 -29.3535 25.8342 33.8396 -34.0225 -29.3536 -34.0225 15.6887 GPRESSAVG: 525000 -53.8848 25.8017 -29.4624 27.3154 33.3634 -33.4977 -29.8291 -33.3077 16.08 TIMING: 525000 CPU: 1718.92, 0.00312115/step Wall: 1718.92, 0.00312115/step, 3.87976 hours remaining, 231.914062 MB of memory in use. ENERGY: 525000 3963.5624 20549.3021 14480.7136 246.0452 -203653.8270 2803.2985 0.0000 0.0000 52107.1184 -109503.7868 299.4603 -161610.9052 -109144.4734 299.6781 163.8460 189.3257 759998.0615 -1.3784 -1.4805 PRESSURE: 525200 364.446 57.8925 4.53529 57.8926 0.933682 -97.3079 4.53512 -97.3079 98.2588 GPRESSURE: 525200 347.722 -27.8545 -43.0683 94.7748 99.5252 -170.634 -100.273 -75.8449 88.034 PRESSAVG: 525200 19.0698 -4.30892 -69.751 -4.30886 -2.23217 48.096 -69.751 48.0959 15.9498 GPRESSAVG: 525200 18.8146 -1.41306 -68.6749 -6.27952 -1.68904 48.5927 -71.3125 46.3818 16.036 TIMING: 525200 CPU: 1719.54, 0.00310845/step Wall: 1719.54, 0.00310845/step, 3.8638 hours remaining, 232.113281 MB of memory in use. ENERGY: 525200 3985.2070 20583.1843 14474.1313 243.9287 -203883.5066 2829.7364 0.0000 0.0000 52422.4718 -109344.8472 301.2727 -161767.3190 -108980.5015 300.2274 154.5462 178.4270 760870.1853 10.9291 11.0539 PRESSURE: 525400 -87.6849 1.20697 8.86889 1.20665 -63.4319 78.961 8.86931 78.9602 108.848 GPRESSURE: 525400 -27.04 -37.7376 38.9853 -6.46055 11.8287 177.098 -15.355 242.824 58.3447 PRESSAVG: 525400 6.73453 -19.6899 7.32907 -19.69 55.2228 1.94384 7.32907 1.9439 13.4981 GPRESSAVG: 525400 6.24369 -22.158 7.67643 -17.3614 55.8245 2.4701 8.30467 3.41323 12.7641 TIMING: 525400 CPU: 1720.16, 0.00311212/step Wall: 1720.16, 0.00311212/step, 3.8682 hours remaining, 232.113281 MB of memory in use. ENERGY: 525400 4018.5963 20680.7053 14454.3639 246.8281 -203123.3206 2506.9426 0.0000 0.0000 51850.1986 -109365.6858 297.9838 -161215.8844 -109016.7669 299.6198 -14.0896 14.3778 762575.1720 25.1518 24.9441 PRESSURE: 525600 154.158 -152.697 137.1 -152.697 -206.908 -29.509 137.1 -29.5091 504.897 GPRESSURE: 525600 230.242 26.5654 141.013 -88.5125 -214.263 -9.88725 29.1985 -10.6865 510.046 PRESSAVG: 525600 24.1792 44.5626 -25.3622 44.5626 19.6048 0.330483 -25.3622 0.330531 10.1783 GPRESSAVG: 525600 23.7417 46.5376 -24.3073 42.3253 18.4077 -1.71156 -26.1833 -0.0339851 11.6519 TIMING: 525600 CPU: 1720.79, 0.003121/step Wall: 1720.79, 0.003121/step, 3.87906 hours remaining, 232.183594 MB of memory in use. ENERGY: 525600 3940.7873 20478.8066 14490.6430 264.1883 -203232.3388 2408.8243 0.0000 0.0000 52212.9980 -109436.0914 300.0688 -161649.0894 -109079.1627 299.7690 150.7156 175.3419 760062.4100 17.9875 17.9338 PRESSURE: 525800 -302.638 -12.2079 -346.248 -12.2078 -39.2727 54.8403 -346.248 54.8408 -90.0229 GPRESSURE: 525800 -218.889 -14.4912 -334.364 -86.6096 -44.2171 72.9569 -304.734 22.9718 -63.8043 PRESSAVG: 525800 -5.69106 10.9908 -38.6365 10.9908 16.3476 -16.5838 -38.6365 -16.5837 -29.0466 GPRESSAVG: 525800 -4.65419 9.31964 -39.8424 12.5035 15.8738 -15.9373 -37.0581 -16.3633 -30.2497 TIMING: 525800 CPU: 1721.41, 0.00311132/step Wall: 1721.41, 0.00311132/step, 3.86685 hours remaining, 232.183594 MB of memory in use. ENERGY: 525800 3989.9038 20517.0254 14431.0478 234.3079 -203128.8858 2346.7858 0.0000 0.0000 52196.9905 -109412.8247 299.9768 -161609.8152 -109042.4499 299.6268 -143.9780 -108.9700 760467.7563 -6.1300 -6.3434 PRESSURE: 526000 -275.123 64.2461 2.30498 64.2453 -13.61 61.1946 2.30547 61.1941 197.37 GPRESSURE: 526000 -200.034 84.9737 -32.674 28.8038 -18.5855 10.9935 10.0343 104.294 207.278 PRESSAVG: 526000 -2.16586 5.42878 31.4389 5.42878 28.4012 -24.9841 31.439 -24.9841 36.127 GPRESSAVG: 526000 -4.30403 6.88617 33.5309 4.70624 30.2661 -23.2681 32.0787 -27.4453 36.5569 TIMING: 526000 CPU: 1722.03, 0.00312632/step Wall: 1722.03, 0.00312632/step, 3.88532 hours remaining, 232.183594 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: 526000 3947.7746 20658.9307 14431.7355 259.8178 -203709.7953 2652.4369 0.0000 0.0000 52141.1751 -109617.9247 299.6561 -161759.0998 -109254.0394 299.4076 -30.4544 -3.7806 761684.0400 20.7875 20.8397 PRESSURE: 526200 13.1783 -63.0384 -130.486 -63.0393 166.354 -337.435 -130.486 -337.434 111.5 GPRESSURE: 526200 44.9366 -106.022 -84.1638 -180.171 154.386 -244.338 -191.917 -288.282 187.391 PRESSAVG: 526200 25.0767 -10.5894 57.2216 -10.5894 -12.2599 -45.6439 57.2216 -45.6439 -7.59265 GPRESSAVG: 526200 25.6051 -10.7681 55.8125 -13.4399 -12.7866 -47.0712 52.8639 -43.4302 -7.77793 TIMING: 526200 CPU: 1722.66, 0.00312867/step Wall: 1722.66, 0.00312867/step, 3.88807 hours remaining, 232.183594 MB of memory in use. ENERGY: 526200 3992.0209 20546.2751 14424.8594 240.3518 -203765.4801 2851.6359 0.0000 0.0000 51944.4632 -109765.8736 298.5255 -161710.3368 -109399.8563 299.3748 97.0106 128.9046 760116.3689 1.7414 1.6802 PRESSURE: 526400 66.1469 127.006 161.463 127.006 -243.923 -40.5288 161.464 -40.5285 -47.9397 GPRESSURE: 526400 119.15 29.7185 81.1968 97.7936 -153.851 -75.2132 175.196 23.2487 -91.8326 PRESSAVG: 526400 32.8481 -32.3275 4.799 -32.3274 23.9562 -57.9734 4.79895 -57.9733 5.58479 GPRESSAVG: 526400 33.077 -31.7908 3.42228 -30.6326 23.444 -57.0704 5.30427 -56.933 5.1518 TIMING: 526400 CPU: 1723.29, 0.00313612/step Wall: 1723.29, 0.00313612/step, 3.89716 hours remaining, 232.183594 MB of memory in use. ENERGY: 526400 3946.8369 20396.5962 14452.4337 227.3865 -203344.3620 2386.8122 0.0000 0.0000 51960.9560 -109973.3405 298.6203 -161934.2966 -109606.7338 299.1436 -75.2386 -42.1781 760288.1763 20.7964 20.5576 PRESSURE: 526600 23.1587 105.905 -47.1318 105.904 238.153 -14.4698 -47.1321 -14.4688 -500.402 GPRESSURE: 526600 65.2128 80.9912 35.4274 94.2652 210.761 -2.78791 -95.9338 -45.5255 -468.072 PRESSAVG: 526600 -24.3798 -21.3212 0.270037 -21.3213 29.1589 -10.285 0.26999 -10.2849 12.5279 GPRESSAVG: 526600 -23.6715 -20.6114 1.67347 -21.748 28.6015 -12.5759 1.07901 -10.9016 12.4171 TIMING: 526600 CPU: 1723.91, 0.00312667/step Wall: 1723.91, 0.00312667/step, 3.88523 hours remaining, 232.183594 MB of memory in use. ENERGY: 526600 4014.4999 20543.4362 14372.7788 250.2024 -203547.3057 2698.9212 0.0000 0.0000 52113.6262 -109553.8411 299.4977 -161667.4672 -109184.1860 298.1107 -79.6969 -64.0327 761984.1082 5.7690 5.7824 PRESSURE: 526800 -149.057 258.409 -114.529 258.408 -411.755 -192.007 -114.529 -192.006 -250.455 GPRESSURE: 526800 -114.079 57.0938 -111.424 187.87 -360.994 -133.132 -80.8071 -122.964 -251.205 PRESSAVG: 526800 -1.69781 40.6114 -30.8122 40.6115 -18.2641 -9.94797 -30.8122 -9.94791 -11.5188 GPRESSAVG: 526800 -2.11375 39.1099 -29.4963 39.0693 -18.0564 -10.1311 -30.1203 -7.8977 -10.5462 TIMING: 526800 CPU: 1724.54, 0.00312435/step Wall: 1724.54, 0.00312435/step, 3.88218 hours remaining, 232.183594 MB of memory in use. ENERGY: 526800 4046.6325 20509.1882 14385.6717 256.1821 -203498.1642 2558.9516 0.0000 0.0000 52083.0907 -109658.4474 299.3222 -161741.5381 -109290.3613 298.9082 -270.4224 -242.0923 762704.7675 -10.4936 -10.2388 PRESSURE: 527000 349.117 39.7861 113.978 39.7861 -182.561 12.194 113.976 12.1947 150.408 GPRESSURE: 527000 296.459 -32.7873 52.3785 -6.47083 -50.9414 20.071 46.7398 88.5285 175.106 PRESSAVG: 527000 76.9713 -24.7333 5.11224 -24.7333 -73.1086 -37.6587 5.11224 -37.6587 -4.55708 GPRESSAVG: 527000 77.6499 -24.2026 0.152758 -20.7675 -74.0959 -35.9389 6.27784 -39.4509 -4.88634 TIMING: 527000 CPU: 1725.16, 0.00312088/step Wall: 1725.16, 0.00312088/step, 3.87769 hours remaining, 232.183594 MB of memory in use. ENERGY: 527000 4036.5099 20497.7644 14416.9804 242.0788 -203314.2043 2532.5997 0.0000 0.0000 52046.9593 -109541.3118 299.1146 -161588.2711 -109181.4592 299.7493 105.6546 140.2077 761770.3774 -0.2315 -0.4441 PRESSURE: 527200 -58.9986 -161.025 10.4539 -161.024 -294.048 27.248 10.4536 27.2485 -327.302 GPRESSURE: 527200 -22.9554 -67.2846 155.931 -169.319 -301.594 -0.538761 142.928 -54.2119 -277.612 PRESSAVG: 527200 43.2412 -52.9153 -12.908 -52.9153 -41.7882 -7.30597 -12.908 -7.30596 -4.3527 GPRESSAVG: 527200 42.749 -51.6393 -9.63751 -54.0497 -41.1597 -7.98284 -14.1482 -5.86876 -4.01134 TIMING: 527200 CPU: 1725.78, 0.00312004/step Wall: 1725.78, 0.00312004/step, 3.87647 hours remaining, 232.183594 MB of memory in use. ENERGY: 527200 3970.4866 20518.2822 14472.0141 252.9830 -203263.7415 2479.7402 0.0000 0.0000 52029.1663 -109541.0691 299.0123 -161570.2354 -109173.1414 299.3430 -226.7829 -200.7205 763179.5133 -0.9666 -0.8073 PRESSURE: 527400 55.8591 -127.137 -221.677 -127.137 21.6649 -33.0538 -221.677 -33.0527 -355.673 GPRESSURE: 527400 82.7559 -86.5253 -296.198 -168.793 37.1327 -0.134568 -232.402 29.5017 -312.395 PRESSAVG: 527400 21.2942 -18.3618 -0.322219 -18.3618 -49.1689 22.5244 -0.322229 22.5244 6.02112 GPRESSAVG: 527400 21.6816 -21.8644 -0.663568 -17.7337 -48.7135 22.7188 0.752003 21.7727 5.19667 TIMING: 527400 CPU: 1726.41, 0.00311408/step Wall: 1726.41, 0.00311408/step, 3.86889 hours remaining, 232.183594 MB of memory in use. ENERGY: 527400 4015.6066 20496.1032 14368.4822 265.2416 -203395.2572 2649.7411 0.0000 0.0000 52089.7219 -109510.3606 299.3603 -161600.0824 -109147.7051 299.2941 -92.7162 -64.1687 761338.0979 -7.2845 -7.2784 PRESSURE: 527600 -48.0588 -101.331 -144 -101.331 118.432 -124.926 -144 -124.926 -229.203 GPRESSURE: 527600 -48.3767 -63.5377 -79.1008 -108.996 146.038 -205.543 -246.787 -105.577 -173.825 PRESSAVG: 527600 24.2855 -20.3588 12.4532 -20.3588 4.15308 -32.8771 12.4532 -32.877 15.1215 GPRESSAVG: 527600 24.1515 -18.8952 13.4838 -22.0434 4.11074 -31.5102 8.80661 -33.8193 15.4364 TIMING: 527600 CPU: 1727.03, 0.00311898/step Wall: 1727.03, 0.00311898/step, 3.87482 hours remaining, 232.183594 MB of memory in use. ENERGY: 527600 3919.8864 20536.2802 14380.6899 256.3359 -203346.6696 2569.6765 0.0000 0.0000 52252.8557 -109430.9451 300.2979 -161683.8007 -109058.0885 299.7244 -52.9431 -25.3876 762064.2204 14.5200 14.5662 PRESSURE: 527800 -303.648 -127.197 -170.13 -127.197 -251.868 -193.831 -170.13 -193.831 -381.051 GPRESSURE: 527800 -297.493 -226.16 -171.282 -202.153 -164.086 -301.235 -57.8942 -158.898 -375.815 PRESSAVG: 527800 30.6171 -8.97795 -9.03308 -8.97795 -26.4738 -15.7202 -9.03306 -15.7203 2.32511 GPRESSAVG: 527800 30.402 -9.30775 -11.4355 -9.08929 -27.5574 -17.8389 -5.59679 -15.0784 4.03474 TIMING: 527800 CPU: 1727.66, 0.00313974/step Wall: 1727.66, 0.00313974/step, 3.90043 hours remaining, 232.183594 MB of memory in use. ENERGY: 527800 3944.9429 20366.0551 14427.5437 236.5114 -203010.1960 2247.5624 0.0000 0.0000 52337.7733 -109449.8073 300.7859 -161787.5806 -109083.8741 299.3839 -312.1889 -279.1316 761795.3823 2.1561 2.2931 PRESSURE: 528000 -165.819 -178.996 99.6969 -178.996 -207.138 169.017 99.6967 169.016 60.0263 GPRESSURE: 528000 -203.898 23.5286 173.59 -263.349 -82.7714 156.938 -42.305 176.878 33.0486 PRESSAVG: 528000 48.9865 14.8702 31.7902 14.8701 -32.3908 -13.5342 31.7903 -13.5342 -5.80587 GPRESSAVG: 528000 49.7614 16.2447 34.1294 15.1778 -32.3354 -11.2107 30.0137 -12.3593 -6.8182 TIMING: 528000 CPU: 1728.29, 0.00313401/step Wall: 1728.29, 0.00313401/step, 3.89314 hours remaining, 232.183594 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: 528000 4018.8174 20597.1213 14502.8327 245.2677 -202841.3933 2234.8091 0.0000 0.0000 52028.4864 -109214.0587 299.0084 -161242.5451 -108852.1647 300.0102 -104.3103 -84.5404 762243.5489 3.5966 3.5359 PRESSURE: 528200 -256.487 48.0454 143.076 48.0455 -174.278 20.1047 143.076 20.1056 21.0502 GPRESSURE: 528200 -206.886 15.9523 216.743 37.6938 -122.492 36.2117 69.4011 216.366 12.1604 PRESSAVG: 528200 7.27231 -5.99052 -20.3874 -5.99046 -35.4771 81.1288 -20.3874 81.1288 -1.19443 GPRESSAVG: 528200 6.95888 -5.81249 -21.545 -6.43836 -34.7178 82.7666 -20.6682 80.0478 -1.74414 TIMING: 528200 CPU: 1728.91, 0.0031196/step Wall: 1728.91, 0.0031196/step, 3.87506 hours remaining, 232.183594 MB of memory in use. ENERGY: 528200 3970.2636 20477.6428 14443.2991 259.9095 -203078.0615 2275.2463 0.0000 0.0000 52327.0050 -109324.6953 300.7240 -161651.7003 -108958.0653 300.0075 -136.5713 -105.7390 761416.8117 -9.7998 -9.8344 LDB: ============= START OF LOAD BALANCING ============== 1741.33 LDB: ============== END OF LOAD BALANCING =============== 1741.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1741.33 LDB: ============= START OF LOAD BALANCING ============== 1741.64 LDB: Largest compute 7077 load 0.032877 is 16.8% of average load 0.195235 LDB: Average compute 0.004387 is 2.2% of average load 0.195235 LDB: TIME 1741.65 LOAD: AVG 0.195235 MAX 0.215595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 1741.65 LOAD: AVG 0.195235 MAX 0.215595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: TIME 1741.65 LOAD: AVG 0.195235 MAX 0.215595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: ============== END OF LOAD BALANCING =============== 1741.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1741.65 PRESSURE: 528400 -96.3734 128.605 187.569 128.605 -86.959 78.5846 187.569 78.5843 -253.632 GPRESSURE: 528400 -130.619 99.193 300.264 39.6726 -54.6246 163.399 59.7466 -20.4273 -167.865 PRESSAVG: 528400 54.085 -31.6515 -20.8954 -31.6514 0.308411 22.4044 -20.8954 22.4043 -12.6928 GPRESSAVG: 528400 53.1853 -30.4722 -19.5943 -31.3809 0.448871 20.8509 -22.1952 23.2193 -12.7985 TIMING: 528400 CPU: 1729.55, 0.00317968/step Wall: 1729.55, 0.00317968/step, 3.94952 hours remaining, 231.847656 MB of memory in use. ENERGY: 528400 3965.9227 20619.8225 14461.7872 263.4945 -203384.8796 2635.4758 0.0000 0.0000 52109.6551 -109328.7217 299.4749 -161438.3768 -108969.7048 300.4045 -145.6547 -117.7028 762045.4551 13.9002 13.6119 PRESSURE: 528600 236.447 -140.387 -199.471 -140.387 129.673 -47.369 -199.471 -47.3701 74.0201 GPRESSURE: 528600 264.572 -92.2973 -124.252 -78.3259 118.623 -43.08 -193.922 -178.434 148.973 PRESSAVG: 528600 -15.0108 13.3302 -32.6379 13.3302 -6.77941 18.0536 -32.638 18.0535 -14.0271 GPRESSAVG: 528600 -14.4365 12.6397 -33.5388 14.5909 -7.13189 18.5366 -31.4187 17.9272 -14.0489 TIMING: 528600 CPU: 1730.17, 0.00310963/step Wall: 1730.17, 0.00310963/step, 3.86233 hours remaining, 231.847656 MB of memory in use. ENERGY: 528600 3988.3620 20520.6494 14434.7071 270.0543 -203083.2184 2468.5941 0.0000 0.0000 52105.6069 -109295.2446 299.4516 -161400.8516 -108936.2587 300.0474 146.7132 177.3894 762006.6556 -11.9391 -11.8724 PRESSURE: 528800 18.2498 -64.1086 -187.379 -64.1083 182.791 136.347 -187.38 136.346 -382.766 GPRESSURE: 528800 9.3389 -157.649 -176.821 -19.9521 258.176 83.2719 -115.679 196.491 -378.418 PRESSAVG: 528800 26.135 42.8723 -57.8511 42.8723 -11.2086 -89.2156 -57.8511 -89.2156 -23.2323 GPRESSAVG: 528800 25.4811 40.4612 -59.0792 40.8083 -11.7979 -90.1924 -55.3546 -88.0501 -21.6465 TIMING: 528800 CPU: 1730.79, 0.00313025/step Wall: 1730.79, 0.00313025/step, 3.88777 hours remaining, 231.847656 MB of memory in use. ENERGY: 528800 3936.5526 20547.2331 14423.9426 257.2694 -202845.5180 2111.3874 0.0000 0.0000 52365.0063 -109204.1265 300.9424 -161569.1329 -108836.4760 299.8943 -60.5753 -36.9676 759881.3292 -2.7687 -2.6544 PRESSURE: 529000 -225.239 150.404 36.9259 150.403 -474.855 -5.04765 36.9254 -5.04686 -230.471 GPRESSURE: 529000 -136.441 -26.9291 3.36313 4.10343 -497.739 25.7128 8.31417 28.5932 -201.402 PRESSAVG: 529000 70.3533 5.81261 1.86861 5.81267 -34.7426 73.7522 1.86867 73.752 3.24922 GPRESSAVG: 529000 71.3606 4.88724 1.54531 6.01604 -34.3914 73.6972 -0.238269 73.5177 1.47352 TIMING: 529000 CPU: 1731.42, 0.00311576/step Wall: 1731.42, 0.00311576/step, 3.8696 hours remaining, 231.847656 MB of memory in use. ENERGY: 529000 3960.2356 20617.5474 14430.2470 233.7328 -203148.6268 2317.0671 0.0000 0.0000 52359.5138 -109230.2830 300.9108 -161589.7968 -108870.5785 300.0512 -310.1880 -278.5271 762444.5216 12.9533 12.8142 PRESSURE: 529200 -125.606 -160.713 49.7611 -160.714 5.01068 -56.2058 49.7613 -56.2049 -162.035 GPRESSURE: 529200 -88.9807 -192.4 11.2846 -145.056 82.8372 -82.9895 0.092764 -162.198 -218.289 PRESSAVG: 529200 30.8749 -14.5419 23.0018 -14.5419 -39.3406 -16.4086 23.0018 -16.4087 3.70871 GPRESSAVG: 529200 30.2247 -12.8986 22.785 -13.8844 -39.3986 -15.1157 23.6648 -17.666 4.94637 TIMING: 529200 CPU: 1732.04, 0.00312163/step Wall: 1732.04, 0.00312163/step, 3.87672 hours remaining, 231.847656 MB of memory in use. ENERGY: 529200 3965.1700 20560.5797 14440.0037 226.1334 -202731.8404 2105.9747 0.0000 0.0000 52246.0425 -109187.9364 300.2587 -161433.9789 -108826.2161 300.2013 -94.2102 -74.8109 761101.4265 -1.5857 -1.4092 PRESSURE: 529400 310.854 51.0916 -1.83646 51.091 276.213 20.4549 -1.83767 20.4553 528.512 GPRESSURE: 529400 320.215 29.7105 -11.692 154.327 393.015 -57.7051 29.1093 137.54 483.207 PRESSAVG: 529400 5.91628 -24.189 0.032437 -24.189 16.5266 -13.6903 0.0324124 -13.6903 -8.05686 GPRESSAVG: 529400 6.44097 -22.1194 0.329077 -25.8362 16.2424 -15.2375 0.491658 -13.7931 -8.63307 TIMING: 529400 CPU: 1732.67, 0.0031244/step Wall: 1732.67, 0.0031244/step, 3.87998 hours remaining, 231.847656 MB of memory in use. ENERGY: 529400 3859.8918 20504.9165 14414.5975 247.1006 -202813.8640 2249.2907 0.0000 0.0000 52206.3991 -109331.6677 300.0309 -161538.0668 -108959.4322 299.8921 371.8596 398.8124 758490.9549 4.7953 4.6834 PRESSURE: 529600 141.799 -8.09644 -43.384 -8.09576 20.9552 76.1843 -43.3831 76.1849 -103.226 GPRESSURE: 529600 124.647 50.4726 8.13748 116.297 96.1344 73.3293 -20.8788 53.9553 -81.5829 PRESSAVG: 529600 25.9203 -26.1151 19.9472 -26.115 9.67702 -0.571089 19.9473 -0.571123 3.23474 GPRESSAVG: 529600 25.5836 -28.0496 19.373 -23.6486 9.70492 -0.631954 19.1646 1.17946 3.13466 TIMING: 529600 CPU: 1733.29, 0.00313482/step Wall: 1733.29, 0.00313482/step, 3.89274 hours remaining, 231.847656 MB of memory in use. ENERGY: 529600 4032.8541 20488.7193 14417.4387 247.2997 -203581.2054 2490.0580 0.0000 0.0000 52486.7358 -109418.0997 301.6420 -161904.8355 -109056.1994 299.9804 19.8426 46.3995 760301.6615 12.9440 12.8077 PRESSURE: 529800 -273.912 -41.2589 347.896 -41.2592 -160.596 135.907 347.895 135.906 -319.663 GPRESSURE: 529800 -188.42 -79.7492 328.035 42.3761 -135.954 109.231 126.197 18.2938 -356.84 PRESSAVG: 529800 8.74327 -45.827 2.31003 -45.827 9.84714 -2.9557 2.31001 -2.95568 -1.04881 GPRESSAVG: 529800 8.09639 -45.5948 3.07828 -46.1631 10.2483 -2.7066 2.12588 -0.790826 -0.837311 TIMING: 529800 CPU: 1733.92, 0.00312337/step Wall: 1733.92, 0.00312337/step, 3.87835 hours remaining, 231.847656 MB of memory in use. ENERGY: 529800 3936.1236 20508.2956 14413.4694 243.9625 -202619.9811 2085.6068 0.0000 0.0000 51830.5208 -109602.0024 297.8707 -161432.5232 -109246.0331 299.5831 -251.3905 -227.0713 763321.8157 5.8472 5.8358 PRESSURE: 530000 -171.046 2.2285 -70.4445 2.22802 -206.028 83.8041 -70.444 83.8031 -95.0134 GPRESSURE: 530000 -184.662 3.9441 -96.1526 -106.104 -136.122 59.0659 -87.3758 19.4166 -73.1414 PRESSAVG: 530000 15.6941 -3.67443 39.2923 -3.67449 -21.2775 -1.94269 39.2922 -1.94269 0.465036 GPRESSAVG: 530000 15.6464 -3.12686 38.4088 -5.79533 -21.4594 -2.70861 39.3013 -5.59835 0.740902 TIMING: 530000 CPU: 1734.54, 0.00312345/step Wall: 1734.54, 0.00312345/step, 3.87828 hours remaining, 231.847656 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: 530000 3953.1263 20407.1265 14393.6758 254.6464 -202988.1140 2280.7337 0.0000 0.0000 52098.2426 -109600.5627 299.4093 -161698.8053 -109248.9676 298.7002 -157.3621 -131.3082 761906.9688 -1.7061 -1.6907 PRESSURE: 530200 34.8491 -150.486 93.0959 -150.486 211.174 -156.94 93.0955 -156.94 -26.4968 GPRESSURE: 530200 127.272 -213.698 109.2 -65.8094 249.236 -184.923 77.4792 -168.791 -84.5894 PRESSAVG: 530200 7.11708 7.92273 -48.2199 7.92268 -19.7995 1.35412 -48.2199 1.35406 -17.5879 GPRESSAVG: 530200 7.37099 7.76472 -47.0454 9.97543 -19.3393 2.94873 -47.0401 0.373524 -17.9445 TIMING: 530200 CPU: 1735.17, 0.00313243/step Wall: 1735.17, 0.00313243/step, 3.88927 hours remaining, 231.847656 MB of memory in use. ENERGY: 530200 4045.9498 20488.2312 14383.1162 247.8035 -203451.5625 2664.7053 0.0000 0.0000 51936.2057 -109685.5507 298.4781 -161621.7565 -109334.1651 298.1814 73.1755 97.3063 760946.9750 -10.0901 -9.9709 PRESSURE: 530400 42.9858 -83.5377 -138.398 -83.5383 217.512 -130.804 -138.398 -130.804 -603.695 GPRESSURE: 530400 61.0137 4.62029 -145.305 -96.384 243.238 -100.612 -192.73 -66.0649 -562.187 PRESSAVG: 530400 -30.5175 8.05633 -15.55 8.05638 4.18375 52.6919 -15.55 52.692 2.05289 GPRESSAVG: 530400 -30.0625 6.87464 -17.4223 5.88802 4.17968 53.5248 -17.7089 53.8678 1.22324 TIMING: 530400 CPU: 1735.79, 0.0031118/step Wall: 1735.79, 0.00311181/step, 3.86348 hours remaining, 231.847656 MB of memory in use. ENERGY: 530400 3995.8413 20364.3072 14447.5109 264.7841 -203007.9082 2178.3298 0.0000 0.0000 52046.3915 -109710.7434 299.1113 -161757.1349 -109347.7051 299.1296 -114.3992 -85.9784 760618.3322 -8.0936 -8.2198 PRESSURE: 530600 -168.692 49.0644 -87.3756 49.0645 -205.009 177.234 -87.3761 177.233 -362.816 GPRESSURE: 530600 -102.539 20.7509 -15.0248 17.7256 -238.995 111.022 74.3974 140.156 -298.194 PRESSAVG: 530600 9.09829 6.53166 -14.9338 6.53166 3.87285 27.2443 -14.9338 27.2443 -6.93671 GPRESSAVG: 530600 10.0897 9.23982 -13.0441 8.0715 3.09822 24.2319 -14.5857 28.0183 -6.94089 TIMING: 530600 CPU: 1736.41, 0.0031181/step Wall: 1736.41, 0.00311811/step, 3.87113 hours remaining, 231.847656 MB of memory in use. ENERGY: 530600 4044.0593 20586.7291 14369.8715 243.8143 -203207.7123 2304.7058 0.0000 0.0000 52030.0983 -109628.4340 299.0177 -161658.5322 -109273.5240 298.6792 -245.5057 -213.2427 760695.4739 2.0115 2.0824 PRESSURE: 530800 56.7699 -186.784 -99.8992 -186.785 62.1525 -38.2351 -99.8998 -38.2346 20.9447 GPRESSURE: 530800 59.14 -227.835 -29.6325 -110.75 111.944 -65.214 -135.253 -187.274 64.0714 PRESSAVG: 530800 -47.9812 -13.799 -17.6183 -13.799 37.017 8.26433 -17.6183 8.2643 45.4902 GPRESSAVG: 530800 -49.7453 -16.8058 -18.302 -11.844 38.0513 9.97361 -18.3479 6.18344 45.9988 TIMING: 530800 CPU: 1737.04, 0.00311964/step Wall: 1737.04, 0.00311964/step, 3.87287 hours remaining, 231.847656 MB of memory in use. ENERGY: 530800 3956.0435 20511.2860 14471.3936 238.3282 -203544.4087 2803.2740 0.0000 0.0000 51992.5976 -109571.4857 298.8022 -161564.0833 -109217.4784 299.1172 46.6224 78.3852 761009.4113 11.5086 11.4349 PRESSURE: 531000 203.952 103.245 -156.287 103.245 0.0898623 -46.5134 -156.287 -46.5141 103.934 GPRESSURE: 531000 208.62 129.276 -179.008 183.546 62.6029 49.9508 -80.144 -45.3165 117.389 PRESSAVG: 531000 38.2656 4.75433 -1.10967 4.75439 -38.9131 12.9019 -1.1097 12.9018 0.50137 GPRESSAVG: 531000 38.6066 6.60887 -2.33509 4.11819 -38.2572 12.6195 -1.94744 14.2668 -0.488145 TIMING: 531000 CPU: 1737.66, 0.00311946/step Wall: 1737.66, 0.00311946/step, 3.87246 hours remaining, 231.847656 MB of memory in use. ENERGY: 531000 4013.5594 20458.1240 14470.8247 230.7972 -203672.8542 2878.9605 0.0000 0.0000 52135.0804 -109485.5080 299.6210 -161620.5884 -109127.3301 299.2129 102.6586 129.5372 760533.2236 -0.0487 -0.0463 PRESSURE: 531200 339.837 17.1191 2.9557 17.1195 -269.082 12.4966 2.95532 12.4962 0.0934395 GPRESSURE: 531200 306.539 0.850297 -11.9827 -8.10143 -173.704 -11.148 -4.88525 -72.597 15.6189 PRESSAVG: 531200 63.5795 -4.43807 -72.7506 -4.43807 -40.2612 -11.5204 -72.7506 -11.5204 -14.5857 GPRESSAVG: 531200 63.8287 -5.6684 -71.5158 -4.24896 -40.5512 -12.5388 -69.9557 -10.0549 -14.3691 TIMING: 531200 CPU: 1738.29, 0.00311328/step Wall: 1738.29, 0.00311328/step, 3.86461 hours remaining, 231.847656 MB of memory in use. ENERGY: 531200 3927.2794 20533.5773 14395.1476 267.7610 -202893.4575 2176.1188 0.0000 0.0000 52139.9687 -109453.6047 299.6491 -161593.5734 -109092.9252 299.4217 23.6163 49.4847 760140.4427 2.9109 2.9695 PRESSURE: 531400 -43.3066 -191.389 -128.262 -191.389 115.057 252.9 -128.262 252.899 211.398 GPRESSURE: 531400 29.2547 -193.268 -125.456 -115.868 54.2445 143.079 -220.265 158.473 294.06 PRESSAVG: 531400 3.03974 -3.26244 2.9466 -3.26239 19.2988 -8.02031 2.94657 -8.02031 2.83715 GPRESSAVG: 531400 3.05502 -2.69815 2.12782 -2.93207 18.558 -7.76733 1.23315 -8.65835 3.44663 TIMING: 531400 CPU: 1738.91, 0.00312847/step Wall: 1738.91, 0.00312847/step, 3.88329 hours remaining, 231.847656 MB of memory in use. ENERGY: 531400 4004.2763 20635.1744 14459.5365 239.4926 -203411.2411 2862.9954 0.0000 0.0000 51969.8650 -109239.9008 298.6715 -161209.7658 -108879.1645 299.8877 94.3828 125.8530 760296.8358 8.3919 8.3532 PRESSURE: 531600 168.287 -63.8707 -126.157 -63.8716 72.7181 20.9366 -126.157 20.9368 159.991 GPRESSURE: 531600 143.1 -66.4767 -86.4419 -38.5468 84.1578 -40.5944 -177.606 57.9809 266.212 PRESSAVG: 531600 -43.2066 6.24619 -42.0709 6.24613 20.4819 -21.1524 -42.0709 -21.1523 8.50601 GPRESSAVG: 531600 -43.8469 7.06863 -41.7686 5.15582 21.2656 -20.5679 -43.5332 -21.781 7.79062 TIMING: 531600 CPU: 1739.54, 0.00312217/step Wall: 1739.54, 0.00312217/step, 3.87531 hours remaining, 231.847656 MB of memory in use. ENERGY: 531600 4049.8244 20650.5119 14372.8636 251.4093 -203325.4650 2704.0504 0.0000 0.0000 52185.3702 -109111.4353 299.9100 -161296.8054 -108750.7455 300.2126 133.6656 164.4898 759568.5973 -4.7395 -4.9302 PRESSURE: 531800 3.03875 -216.696 -93.0291 -216.696 -88.3636 -130.884 -93.03 -130.883 72.9416 GPRESSURE: 531800 26.53 -224.206 -70.5325 -270.647 7.10871 -114.491 -189.012 -127.488 49.1415 PRESSAVG: 531800 26.3502 0.29234 -6.29455 0.292325 21.5221 -11.1277 -6.29457 -11.1277 20.1368 GPRESSAVG: 531800 26.3912 -1.45027 -4.91259 0.960293 19.8141 -9.86273 -6.42894 -10.1404 21.7176 TIMING: 531800 CPU: 1740.16, 0.00312221/step Wall: 1740.16, 0.00312221/step, 3.87518 hours remaining, 231.847656 MB of memory in use. ENERGY: 531800 3955.2138 20667.8661 14458.5951 248.4025 -203052.2209 2429.8842 0.0000 0.0000 52004.2943 -109287.9650 298.8694 -161292.2592 -108927.0773 300.2183 -4.1277 27.5934 760625.6572 22.6697 22.6410 PRESSURE: 532000 -228.653 -147.503 -248.842 -147.502 -388.125 -40.0522 -248.843 -40.0521 -0.853828 GPRESSURE: 532000 -185.94 -93.9517 -254.886 -172.563 -330.074 -17.2821 -67.5135 -96.3195 -21.2625 PRESSAVG: 532000 24.6409 7.99917 -14.871 7.99912 -45.6341 29.5896 -14.871 29.5896 9.05197 GPRESSAVG: 532000 24.5011 9.5399 -17.5861 7.19874 -45.1537 29.4993 -13.3759 27.9322 8.62967 TIMING: 532000 CPU: 1740.78, 0.00312046/step Wall: 1740.78, 0.00312046/step, 3.87284 hours remaining, 231.847656 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: 532000 3970.0393 20537.3803 14437.3457 232.2331 -203116.4734 2470.3510 0.0000 0.0000 51985.7649 -109483.3591 298.7629 -161469.1240 -109118.9536 299.6408 -205.8773 -179.0921 761306.0178 -3.9804 -4.0076 PRESSURE: 532200 158.746 123.821 34.0098 123.821 -184.814 -9.65295 34.0092 -9.65197 -28.1973 GPRESSURE: 532200 254.883 180.11 -21.022 84.2661 -268.472 39.6564 -14.0855 -47.2507 50.3799 PRESSAVG: 532200 35.554 -21.1828 -18.6874 -21.1829 -10.3105 -46.4017 -18.6873 -46.4016 -18.132 GPRESSAVG: 532200 35.7833 -19.8802 -19.2636 -21.9011 -10.6446 -47.2227 -17.4699 -45.4266 -18.5707 TIMING: 532200 CPU: 1741.41, 0.00311262/step Wall: 1741.41, 0.00311262/step, 3.86294 hours remaining, 231.847656 MB of memory in use. ENERGY: 532200 4005.7564 20485.4164 14505.3824 255.6018 -203170.5805 2383.2311 0.0000 0.0000 52090.9905 -109444.2021 299.3676 -161535.1926 -109081.2644 299.9145 -18.0885 12.2636 761806.4790 2.3705 2.1893 LDB: ============= START OF LOAD BALANCING ============== 1753.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1753.83 LDB: =============== DONE WITH MIGRATION ================ 1753.83 LDB: ============= START OF LOAD BALANCING ============== 1754.14 LDB: Largest compute 7077 load 0.034655 is 17.7% of average load 0.195356 LDB: Average compute 0.004362 is 2.2% of average load 0.195356 LDB: TIME 1754.14 LOAD: AVG 0.195356 MAX 0.214203 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 1754.14 LOAD: AVG 0.195356 MAX 0.214203 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: TIME 1754.14 LOAD: AVG 0.195356 MAX 0.214203 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: ============== END OF LOAD BALANCING =============== 1754.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1754.15 PRESSURE: 532400 179.528 256.474 -96.4312 256.474 -317.827 69.7429 -96.4308 69.7434 -17.7291 GPRESSURE: 532400 46.342 218.582 -159.968 307.752 -188.34 -12.2397 -124.946 70.109 68.0842 PRESSAVG: 532400 26.706 53.1635 4.73195 53.1635 -2.6405 -23.4819 4.73196 -23.482 -1.08797 GPRESSAVG: 532400 26.6194 50.1367 7.47379 54.4076 -2.71549 -22.6201 2.38998 -23.5633 -0.922172 TIMING: 532400 CPU: 1742.04, 0.00317579/step Wall: 1742.04, 0.00317579/step, 3.94115 hours remaining, 232.867188 MB of memory in use. ENERGY: 532400 4005.8140 20579.4581 14456.3225 254.2010 -203461.4072 2563.5459 0.0000 0.0000 52089.2173 -109512.8485 299.3574 -161602.0658 -109152.6736 299.4470 -52.0093 -24.6380 761096.7147 7.6592 7.6606 PRESSURE: 532600 -194.599 -246.376 300.748 -246.376 205.676 -196.538 300.747 -196.537 78.4864 GPRESSURE: 532600 -99.2808 -15.5465 286.342 -175.766 201.832 -158.084 300.174 -155.67 72.5206 PRESSAVG: 532600 77.7434 -33.8414 57.7791 -33.8414 -31.5175 -13.9009 57.7791 -13.9009 -0.107263 GPRESSAVG: 532600 77.4561 -31.17 55.5267 -35.8865 -30.3757 -14.5498 59.1845 -14.9638 -1.12092 TIMING: 532600 CPU: 1742.67, 0.00313239/step Wall: 1742.67, 0.00313239/step, 3.88712 hours remaining, 232.867188 MB of memory in use. ENERGY: 532600 3988.7181 20315.2889 14457.3100 227.0535 -203440.0912 2551.6631 0.0000 0.0000 52177.5335 -109722.5240 299.8650 -161900.0575 -109347.3801 299.2694 29.8545 58.3571 760202.1383 15.3729 15.3198 PRESSURE: 532800 -16.67 75.7786 -269.831 75.7791 -217.871 -78.5945 -269.832 -78.5944 -146.535 GPRESSURE: 532800 14.7781 4.76901 -118.15 -62.7275 -220.644 -94.8604 -172.313 4.80259 -115.707 PRESSAVG: 532800 -14.2805 22.1982 -10.4767 22.1982 17.0535 -44.4088 -10.4768 -44.4088 1.72592 GPRESSAVG: 532800 -14.0754 22.3035 -8.55387 23.3371 16.121 -42.796 -12.9705 -44.0256 2.40144 TIMING: 532800 CPU: 1743.29, 0.00311859/step Wall: 1743.29, 0.00311859/step, 3.86983 hours remaining, 232.867188 MB of memory in use. ENERGY: 532800 4053.0941 20434.8473 14361.8919 238.5504 -202711.8139 2225.5212 0.0000 0.0000 51933.2626 -109464.6463 298.4612 -161397.9089 -109095.8930 299.1139 -127.0256 -107.1909 760983.7151 1.4997 1.4823 PRESSURE: 533000 41.7336 40.7107 -232.287 40.7105 -184.808 175.076 -232.287 175.075 -230.078 GPRESSURE: 533000 23.2017 194.526 -194.095 15.3153 -43.3138 203.137 -222.872 190.909 -286.599 PRESSAVG: 533000 42.3673 -25.5567 -4.42225 -25.5568 -57.2946 -19.6355 -4.42231 -19.6355 21.9648 GPRESSAVG: 533000 42.8639 -27.8757 -5.71964 -22.9822 -58.3608 -21.001 -3.72122 -18.5196 22.2121 TIMING: 533000 CPU: 1743.92, 0.00312309/step Wall: 1743.92, 0.00312309/step, 3.87523 hours remaining, 232.867188 MB of memory in use. ENERGY: 533000 4081.2465 20442.5590 14373.0227 258.7102 -203009.7444 2328.0845 0.0000 0.0000 52055.1623 -109470.9591 299.1617 -161526.1214 -109107.7154 299.0798 -124.3841 -102.2369 760697.8860 2.3458 2.2384 PRESSURE: 533200 175.649 143.105 58.9484 143.105 -145.945 123.487 58.948 123.487 195.737 GPRESSURE: 533200 182.861 132.539 -14.8906 227.97 -105.261 97.3698 51.6624 29.9318 246.402 PRESSAVG: 533200 -0.712903 3.78524 -20.4436 3.78523 -23.4611 -30.4787 -20.4436 -30.4787 -12.5966 GPRESSAVG: 533200 -0.919509 3.32379 -20.6784 2.68015 -23.2352 -29.6784 -19.1514 -31.954 -13.0382 TIMING: 533200 CPU: 1744.54, 0.0031244/step Wall: 1744.54, 0.0031244/step, 3.87669 hours remaining, 232.867188 MB of memory in use. ENERGY: 533200 3972.5089 20596.0261 14380.1900 249.0098 -203079.7832 2365.8346 0.0000 0.0000 52044.9424 -109471.2714 299.1030 -161516.2138 -109108.9049 299.7424 75.1469 108.0005 761702.7664 -12.2569 -12.3976 PRESSURE: 533400 -25.4379 -171.171 184.097 -171.171 21.6288 53.6004 184.097 53.5996 133.903 GPRESSURE: 533400 -41.8285 -247.389 161.868 -190.325 244.043 -28.3186 200.658 136.101 26.9694 PRESSAVG: 533400 -20.9388 -7.71427 -26.7767 -7.7142 19.0699 -63.7683 -26.7767 -63.7683 -11.388 GPRESSAVG: 533400 -20.3236 -5.23141 -27.0324 -8.14938 19.4848 -64.9768 -24.9573 -63.5691 -12.0931 TIMING: 533400 CPU: 1745.17, 0.00312306/step Wall: 1745.17, 0.00312306/step, 3.87485 hours remaining, 232.867188 MB of memory in use. ENERGY: 533400 4083.8484 20464.7286 14352.2469 247.3912 -203636.0028 2665.7334 0.0000 0.0000 52385.5482 -109436.5062 301.0605 -161822.0544 -109070.5547 299.8324 43.3648 76.3945 761300.9157 -4.4190 -4.3106 PRESSURE: 533600 128.4 71.4149 -114.128 71.4141 -69.7445 -197.501 -114.128 -197.501 82.7329 GPRESSURE: 533600 231.866 -16.4827 -145.847 71.7799 -80.621 -268.083 -36.2783 -89.0782 67.299 PRESSAVG: 533600 -20.7789 -40.7215 40.0181 -40.7216 -11.4884 -51.4704 40.0181 -51.4705 10.2082 GPRESSAVG: 533600 -21.8667 -42.7749 40.4353 -39.9111 -12.0221 -51.26 36.0477 -52.083 11.3656 TIMING: 533600 CPU: 1745.79, 0.00311718/step Wall: 1745.79, 0.00311718/step, 3.86738 hours remaining, 232.867188 MB of memory in use. ENERGY: 533600 4005.5782 20507.3445 14434.3029 264.6888 -203484.8435 2661.1894 0.0000 0.0000 52069.4943 -109542.2455 299.2441 -161611.7398 -109186.7308 299.9168 47.1296 72.8482 761484.1574 -7.3530 -7.5077 PRESSURE: 533800 -258.556 -6.81577 -136.772 -6.81567 114.691 106.497 -136.772 106.497 137.187 GPRESSURE: 533800 -220.576 -66.4376 -114.652 -23.1892 160.949 76.422 -91.0214 109.33 121.884 PRESSAVG: 533800 23.6313 4.64192 5.82628 4.64188 -14.1319 -48.5503 5.8262 -48.5503 12.717 GPRESSAVG: 533800 23.7223 4.97833 7.18381 4.03107 -13.9039 -48.2419 8.23602 -48.7899 12.296 TIMING: 533800 CPU: 1746.41, 0.00311888/step Wall: 1746.41, 0.00311888/step, 3.86932 hours remaining, 232.867188 MB of memory in use. ENERGY: 533800 3999.8339 20473.7313 14434.7948 273.8669 -202951.1679 2359.2907 0.0000 0.0000 51989.8305 -109419.8197 298.7863 -161409.6503 -109058.4157 299.5766 -2.2260 20.7526 760009.4816 7.4055 7.3715 PRESSURE: 534000 -296.833 31.3927 60.7508 31.393 -265.338 -140.373 60.7509 -140.374 -354.001 GPRESSURE: 534000 -341.69 9.97315 38.4416 -41.3681 -129.288 -225.301 -38.964 -137.563 -344.098 PRESSAVG: 534000 5.69077 -54.5485 20.7114 -54.5484 -15.8709 -38.2127 20.7114 -38.2127 15.9061 GPRESSAVG: 534000 6.48373 -53.8152 19.6581 -54.7296 -16.9293 -39.9848 21.7465 -37.1781 16.0854 TIMING: 534000 CPU: 1747.04, 0.00311972/step Wall: 1747.04, 0.00311972/step, 3.87018 hours remaining, 232.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 534000 4060.0196 20298.5101 14499.1786 238.8992 -203237.2688 2341.3168 0.0000 0.0000 52338.2218 -109461.1227 300.7885 -161799.3445 -109096.8849 299.7602 -305.3904 -271.6921 759643.5776 1.9087 1.8799 PRESSURE: 534200 64.2899 114.049 77.3244 114.049 -132.561 3.01564 77.3238 3.01704 417.787 GPRESSURE: 534200 194.086 28.3781 98.471 104.214 -100.648 -76.243 -100.279 70.0266 351.145 PRESSAVG: 534200 23.9599 -21.3759 8.51768 -21.3759 -37.3835 -35.7173 8.51776 -35.7174 -5.91865 GPRESSAVG: 534200 23.2981 -23.8148 8.86523 -20.1281 -36.2885 -34.436 4.70799 -36.8518 -6.26181 TIMING: 534200 CPU: 1747.66, 0.00311315/step Wall: 1747.66, 0.00311315/step, 3.86187 hours remaining, 232.867188 MB of memory in use. ENERGY: 534200 3990.1762 20346.0679 14551.6661 246.1482 -203162.3931 2482.1243 0.0000 0.0000 52003.4712 -109542.7392 298.8647 -161546.2104 -109182.6765 299.5993 116.5053 148.1942 759664.0289 -6.4474 -6.4174 PRESSURE: 534400 -15.8182 -269.778 193.358 -269.779 -276.883 -190.859 193.358 -190.859 -296.629 GPRESSURE: 534400 -14.4906 -150.82 215.144 -309.089 -317.75 -150.393 144.405 -119.847 -158.818 PRESSAVG: 534400 3.32325 -16.2903 -20.0408 -16.2903 -24.7297 -62.1837 -20.0408 -62.1837 17.1233 GPRESSAVG: 534400 3.86673 -12.1374 -20.0814 -18.9131 -24.9176 -61.4057 -17.4252 -60.1337 16.6748 TIMING: 534400 CPU: 1748.29, 0.0031421/step Wall: 1748.29, 0.0031421/step, 3.8976 hours remaining, 232.867188 MB of memory in use. ENERGY: 534400 3981.9406 20496.6335 14446.8590 224.6658 -203034.7819 2265.5815 0.0000 0.0000 52028.4123 -109590.6893 299.0080 -161619.1015 -109237.1114 299.0930 -196.4433 -163.6860 759454.3563 -1.4277 -1.4587 PRESSURE: 534600 24.588 2.24489 140.417 2.24554 21.4006 -52.8497 140.417 -52.8491 -97.4196 GPRESSURE: 534600 -0.135967 18.63 43.1814 -1.39182 120.472 -87.2774 61.6868 -102.986 -95.0198 PRESSAVG: 534600 -9.99357 48.132 17.7556 48.132 -45.0564 -28.1015 17.7557 -28.1015 -0.362414 GPRESSAVG: 534600 -9.78175 44.6486 16.1673 52.385 -45.5751 -27.6589 18.4395 -29.6325 0.339517 TIMING: 534600 CPU: 1748.91, 0.00311905/step Wall: 1748.91, 0.00311905/step, 3.86884 hours remaining, 232.867188 MB of memory in use. ENERGY: 534600 3982.5947 20498.1310 14450.9539 243.0385 -203179.7954 2423.3851 0.0000 0.0000 52181.9688 -109399.7235 299.8905 -161581.6923 -109050.6892 299.5629 -17.1436 8.4387 760724.9274 -18.4708 -18.3391 PRESSURE: 534800 102.104 -315.98 -183.168 -315.978 123.653 201.637 -183.169 201.637 -525.103 GPRESSURE: 534800 103.535 -221.985 -83.4588 -106.107 148.509 216.521 -176.456 199.407 -486.056 PRESSAVG: 534800 18.4245 69.0372 15.8605 69.0373 -29.747 6.93954 15.8606 6.93958 28.7168 GPRESSAVG: 534800 17.6074 71.644 16.5199 66.552 -28.6443 4.08253 13.6924 8.59317 28.3484 TIMING: 534800 CPU: 1749.54, 0.00311918/step Wall: 1749.54, 0.00311918/step, 3.86883 hours remaining, 232.867188 MB of memory in use. ENERGY: 534800 3983.1511 20567.6882 14378.8046 249.4552 -203197.0897 2625.6375 0.0000 0.0000 52090.2065 -109302.1467 299.3631 -161392.3532 -108944.2549 299.9355 -99.7821 -78.0041 762054.9208 5.7981 5.7705 PRESSURE: 535000 -366.469 101.9 7.90664 101.9 -240.787 43.2019 7.90673 43.2017 -246.354 GPRESSURE: 535000 -337.088 -23.4693 62.3732 146.182 -175.506 -38.476 57.3452 144.516 -225.781 PRESSAVG: 535000 46.1106 11.5807 -5.53421 11.5807 -57.1478 -7.09392 -5.53419 -7.09394 -3.38268 GPRESSAVG: 535000 46.4679 10.6882 -5.22591 9.94482 -57.3622 -3.95358 -6.58671 -5.87775 -3.32415 TIMING: 535000 CPU: 1750.16, 0.00311217/step Wall: 1750.16, 0.00311216/step, 3.85995 hours remaining, 232.867188 MB of memory in use. ENERGY: 535000 4018.9774 20457.2332 14357.9656 253.4504 -202774.3924 2225.8073 0.0000 0.0000 52018.4380 -109442.5205 298.9507 -161460.9585 -109074.9898 299.8111 -284.5366 -246.1247 762521.3057 -4.8066 -4.7395 PRESSURE: 535200 292.827 -50.0689 36.1308 -50.069 174.823 108.602 36.1314 108.603 -368.38 GPRESSURE: 535200 348.019 65.9435 51.6555 -209.437 152.615 58.5885 58.8311 136.896 -309.795 PRESSAVG: 535200 -44.0771 -23.1058 -1.84214 -23.1058 21.1827 -14.5128 -1.84214 -14.5128 12.1958 GPRESSAVG: 535200 -42.6474 -22.2939 -1.35673 -22.6563 19.6962 -13.0956 -1.10851 -17.2459 12.3422 TIMING: 535200 CPU: 1750.78, 0.00312689/step Wall: 1750.78, 0.0031269/step, 3.87804 hours remaining, 232.867188 MB of memory in use. ENERGY: 535200 3972.6692 20450.4334 14399.4406 252.3817 -203240.4572 2645.3736 0.0000 0.0000 52169.2259 -109350.9328 299.8173 -161520.1587 -108987.1800 299.3731 33.0900 63.6130 762044.8784 -3.5662 -3.5363 PRESSURE: 535400 -502.22 18.286 45.7261 18.2852 -204.507 -83.7012 45.7262 -83.7013 -3.3768 GPRESSURE: 535400 -451.211 38.2078 -12.554 -17.7397 -111.809 -174.851 58.7634 -11.7768 -40.0228 PRESSAVG: 535400 -9.7056 -36.4221 -29.7326 -36.4221 47.6968 -32.6111 -29.7327 -32.6111 -10.0306 GPRESSAVG: 535400 -10.9498 -37.6815 -28.7252 -35.731 48.5282 -35.0017 -29.5582 -33.0392 -9.67868 TIMING: 535400 CPU: 1751.41, 0.00313789/step Wall: 1751.41, 0.00313789/step, 3.89151 hours remaining, 232.867188 MB of memory in use. ENERGY: 535400 4003.5589 20486.3035 14376.5326 249.2633 -202904.5977 2277.8164 0.0000 0.0000 52202.7831 -109308.3399 300.0101 -161511.1231 -108941.0778 299.8190 -236.7012 -201.0142 763489.9519 9.3202 9.2999 PRESSURE: 535600 -125.185 -168.436 252.969 -168.434 115.942 118.294 252.97 118.294 41.6597 GPRESSURE: 535600 -61.6183 -93.4649 184.296 -183.288 137.669 151.011 208.882 180.304 16.6264 PRESSAVG: 535600 -21.7859 -8.45767 32.9056 -8.45765 54.8365 -19.462 32.9056 -19.4621 -21.0971 GPRESSAVG: 535600 -21.9052 -8.47729 31.3784 -7.26069 54.5939 -18.3596 33.4359 -19.383 -21.066 TIMING: 535600 CPU: 1752.03, 0.00311021/step Wall: 1752.03, 0.00311021/step, 3.857 hours remaining, 232.867188 MB of memory in use. ENERGY: 535600 3952.2292 20658.2476 14411.3739 251.7401 -203162.4769 2363.5232 0.0000 0.0000 52220.6076 -109304.7553 300.1125 -161525.3629 -108931.0549 299.7529 10.8055 30.8923 763318.0944 3.9845 3.8742 PRESSURE: 535800 -328.422 43.3375 -90.4146 43.3369 46.4859 183.503 -90.4145 183.503 1.6431 GPRESSURE: 535800 -276.116 0.252458 -118.961 -8.59225 10.2898 64.8216 -102.19 114.923 74.881 PRESSAVG: 535800 43.4042 -6.24611 46.6677 -6.24606 -16.2401 9.83723 46.6677 9.8373 -7.57657 GPRESSAVG: 535800 43.7988 -5.52906 47.1338 -7.34086 -16.5539 8.60244 45.2107 9.99222 -7.78583 TIMING: 535800 CPU: 1752.66, 0.00310837/step Wall: 1752.66, 0.00310837/step, 3.85456 hours remaining, 232.867188 MB of memory in use. ENERGY: 535800 4031.2995 20732.9937 14431.9773 246.8122 -203446.0530 2664.7052 0.0000 0.0000 51856.7294 -109481.5356 298.0213 -161338.2650 -109127.4159 300.0467 -93.4310 -63.6485 763099.0585 6.5292 6.4864 PRESSURE: 536000 -195.46 -112.999 218.484 -112.999 91.9903 -47.4506 218.484 -47.451 232.154 GPRESSURE: 536000 -179.753 -133.848 229.271 3.51282 214.031 -127.411 107.52 230.338 202.559 PRESSAVG: 536000 -7.04885 35.117 18.1322 35.1169 18.9445 -7.31525 18.1322 -7.31536 11.0675 GPRESSAVG: 536000 -6.4157 34.7812 18.73 36.5337 19.0744 -7.16233 18.2292 -6.72568 10.3706 TIMING: 536000 CPU: 1753.28, 0.00312816/step Wall: 1753.28, 0.00312816/step, 3.87892 hours remaining, 232.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 536000 4024.9371 20601.5267 14457.8484 257.0896 -203445.4368 2555.8406 0.0000 0.0000 52029.7316 -109518.4628 299.0156 -161548.1945 -109159.2807 299.5552 42.8947 78.9456 761752.2581 7.6544 7.6765 PRESSURE: 536200 -111.828 -30.8719 -18.0504 -30.8722 -87.7025 -100.508 -18.0505 -100.508 440.984 GPRESSURE: 536200 -106.018 -54.6148 -75.5663 -152.086 -31.3176 -119.429 59.8684 -196.324 472.279 PRESSAVG: 536200 -83.4022 -49.7946 17.9594 -49.7946 45.0136 -6.8071 17.9594 -6.80712 -15.2574 GPRESSAVG: 536200 -84.4133 -48.8525 17.0928 -51.1284 45.1745 -6.39996 17.9926 -5.25244 -15.0471 TIMING: 536200 CPU: 1753.91, 0.00313492/step Wall: 1753.91, 0.00313492/step, 3.88713 hours remaining, 232.867188 MB of memory in use. ENERGY: 536200 3976.7656 20609.0838 14431.5560 246.5249 -203340.9028 2682.0721 0.0000 0.0000 51827.0639 -109567.8366 297.8508 -161394.9004 -109205.9953 299.1495 80.4847 111.6477 762238.7721 -17.8820 -18.0953 LDB: ============= START OF LOAD BALANCING ============== 1766.33 LDB: ============== END OF LOAD BALANCING =============== 1766.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1766.33 LDB: ============= START OF LOAD BALANCING ============== 1766.64 LDB: Largest compute 7077 load 0.033025 is 16.9% of average load 0.195234 LDB: Average compute 0.004395 is 2.3% of average load 0.195234 LDB: TIME 1766.65 LOAD: AVG 0.195234 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.676 MB LDB: TIME 1766.65 LOAD: AVG 0.195234 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.676 MB LDB: TIME 1766.65 LOAD: AVG 0.195234 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.676 MB LDB: ============== END OF LOAD BALANCING =============== 1766.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1766.65 PRESSURE: 536400 93.6192 93.2705 128.628 93.2704 -149.87 -134.604 128.627 -134.604 47.4076 GPRESSURE: 536400 151.149 173.84 193.951 -14.0696 -104.075 -95.7413 11.2051 -151.963 4.38543 PRESSAVG: 536400 17.9464 -2.02842 27.8723 -2.02833 -37.5198 33.948 27.8722 33.9479 35.2489 GPRESSAVG: 536400 18.8961 -1.01112 28.6516 -3.06441 -37.1656 31.8986 28.5184 34.0294 34.0846 TIMING: 536400 CPU: 1754.55, 0.00320654/step Wall: 1754.55, 0.00320654/step, 3.97575 hours remaining, 231.585938 MB of memory in use. ENERGY: 536400 3992.7904 20474.8644 14476.0954 235.3905 -202935.4869 2296.8316 0.0000 0.0000 52249.3873 -109210.1273 300.2779 -161459.5146 -108835.3616 300.2038 -2.9478 17.1532 760574.0454 5.2251 5.2717 PRESSURE: 536600 -78.8395 -233.951 -11.2509 -233.952 137.043 60.3695 -11.2512 60.3695 82.0343 GPRESSURE: 536600 -27.3899 -183.095 -26.5056 -188.707 123.427 123.657 -129.271 18.6141 131.096 PRESSAVG: 536600 37.4339 -10.4809 68.5542 -10.4808 -7.1442 -0.59621 68.5543 -0.596178 18.0095 GPRESSAVG: 536600 38.292 -12.6265 67.6384 -9.48805 -7.76087 0.678792 64.3257 -2.24959 17.8363 TIMING: 536600 CPU: 1755.17, 0.00312647/step Wall: 1755.17, 0.00312647/step, 3.8763 hours remaining, 231.789062 MB of memory in use. ENERGY: 536600 4047.7232 20585.4053 14384.2262 240.4351 -203433.6596 2698.1622 0.0000 0.0000 52119.2107 -109358.4967 299.5298 -161477.7074 -108993.4007 299.8089 46.7459 75.7111 760199.8984 16.0997 16.1225 PRESSURE: 536800 -380.467 -11.6084 -27.1486 -11.6084 -177.203 -180.533 -27.149 -180.532 -230.178 GPRESSURE: 536800 -399.207 -51.1615 -72.1355 23.8345 -97.5475 -212.106 6.62393 -191.789 -193.152 PRESSAVG: 536800 38.484 -15.3918 34.88 -15.3918 -50.4345 2.75271 34.8799 2.75267 23.7197 GPRESSAVG: 536800 37.5221 -14.5688 36.6585 -16.5651 -49.9636 2.23162 38.9633 4.00396 24.3805 TIMING: 536800 CPU: 1755.8, 0.00311639/step Wall: 1755.8, 0.00311639/step, 3.86363 hours remaining, 231.789062 MB of memory in use. ENERGY: 536800 4016.0230 20482.8620 14306.2172 251.7499 -203270.1349 2341.8683 0.0000 0.0000 52121.7685 -109749.6460 299.5445 -161871.4146 -109377.4084 299.3817 -262.6160 -229.9687 762236.9304 3.9231 3.9797 PRESSURE: 537000 -217.075 -93.8609 -220.005 -93.8603 -543.709 199.895 -220.004 199.894 166.908 GPRESSURE: 537000 -254.084 -44.5112 -150.9 -125.287 -488.658 221.327 -178.906 163.627 251.874 PRESSAVG: 537000 9.62233 17.1922 -10.7322 17.1921 -4.60756 12.1907 -10.7322 12.1907 -6.4382 GPRESSAVG: 537000 9.24528 14.7569 -12.2154 19.5949 -4.45973 14.2559 -10.8529 10.1286 -6.1771 TIMING: 537000 CPU: 1756.42, 0.00310918/step Wall: 1756.42, 0.00310918/step, 3.85452 hours remaining, 231.789062 MB of memory in use. ENERGY: 537000 3964.1684 20576.0951 14391.7242 254.2347 -203435.7255 2373.8492 0.0000 0.0000 51948.3920 -109927.2620 298.5481 -161875.6540 -109559.1659 298.9163 -197.9588 -163.6227 759270.5899 -0.4745 -0.4638 PRESSURE: 537200 301.923 -67.2269 28.5562 -67.2272 362.776 -24.386 28.5567 -24.3864 313.321 GPRESSURE: 537200 328.955 -135.572 37.7746 -80.7239 344.557 28.3549 57.2205 -38.9409 375.919 PRESSAVG: 537200 -8.34128 -68.8698 -65.5113 -68.8698 22.5695 36.8308 -65.5113 36.8309 3.44215 GPRESSAVG: 537200 -5.95395 -66.3561 -65.1853 -68.8944 21.766 34.769 -65.6919 38.5978 2.17737 TIMING: 537200 CPU: 1757.04, 0.00311014/step Wall: 1757.04, 0.00311014/step, 3.85553 hours remaining, 231.789062 MB of memory in use. ENERGY: 537200 3976.5009 20443.1353 14352.7733 246.9587 -203936.1909 2775.4679 0.0000 0.0000 52072.9623 -110068.3925 299.2640 -162141.3548 -109706.0370 299.1801 326.0064 349.8105 757906.8187 5.8901 5.9965 PRESSURE: 537400 114.776 -135.841 210.088 -135.841 -208.703 -40.6895 210.089 -40.689 -572.427 GPRESSURE: 537400 66.298 -40.5301 159.464 -138.401 -126.619 -31.7826 233.497 -22.6077 -511.425 PRESSAVG: 537400 -14.672 -44.8676 41.8957 -44.8676 29.559 4.90791 41.8958 4.90796 -6.62089 GPRESSAVG: 537400 -17.47 -45.7653 41.4621 -43.8686 29.6524 5.78987 42.5451 3.59842 -4.50761 TIMING: 537400 CPU: 1757.66, 0.00311557/step Wall: 1757.66, 0.00311557/step, 3.8621 hours remaining, 231.789062 MB of memory in use. ENERGY: 537400 3998.6642 20583.3495 14485.8347 264.0584 -203708.9481 2449.7136 0.0000 0.0000 51830.5073 -110096.8204 297.8706 -161927.3277 -109741.3571 298.9626 -222.1181 -190.5820 760234.3228 2.7554 2.5583 PRESSURE: 537600 -70.9766 212.8 -153.926 212.8 -290.348 -44.6841 -153.926 -44.685 -124.83 GPRESSURE: 537600 -50.7559 120.215 -104.165 118.609 -233.195 -39.6612 -121.016 128.805 -109.344 PRESSAVG: 537600 63.8101 2.68312 33.7858 2.68307 -99.1981 27.382 33.7857 27.382 7.8676 GPRESSAVG: 537600 65.0102 2.80688 32.9582 1.89243 -98.6748 25.7471 33.615 29.6953 6.76381 TIMING: 537600 CPU: 1758.29, 0.00311183/step Wall: 1758.29, 0.00311183/step, 3.85729 hours remaining, 231.789062 MB of memory in use. ENERGY: 537600 3964.1777 20503.7253 14472.8181 223.2924 -203696.4866 2529.7917 0.0000 0.0000 51851.9339 -110150.7475 297.9938 -162002.6814 -109789.7167 298.2667 -162.0513 -131.0984 760134.4964 -9.1734 -8.9670 PRESSURE: 537800 146.393 -71.8028 75.2775 -71.8034 151.068 134.997 75.278 134.996 67.8612 GPRESSURE: 537800 260.994 -106.374 23.941 -85.5344 130.712 175.465 -3.87849 100.827 50.1005 PRESSAVG: 537800 42.7755 -3.89774 4.11586 -3.89778 -38.2075 35.3759 4.11588 35.3758 10.3972 GPRESSAVG: 537800 42.6515 -4.84019 3.66657 -5.97656 -38.0014 35.9611 5.88852 33.5661 10.8457 TIMING: 537800 CPU: 1758.92, 0.00314209/step Wall: 1758.92, 0.00314209/step, 3.89463 hours remaining, 231.789062 MB of memory in use. ENERGY: 537800 3897.5641 20373.6330 14444.7371 255.2743 -203583.4939 2554.4622 0.0000 0.0000 51936.7030 -110121.1202 298.4809 -162057.8233 -109758.5760 298.4775 121.7742 147.2687 759954.7110 4.9884 5.1653 PRESSURE: 538000 55.9149 -37.793 -44.7261 -37.7934 -6.87129 164.58 -44.7265 164.581 -300.063 GPRESSURE: 538000 55.6665 16.4575 -113.037 -140.714 109.081 144.558 52.3609 171.118 -327.203 PRESSAVG: 538000 24.7688 -38.1601 56.2405 -38.1601 5.96473 15.167 56.2405 15.167 -7.83609 GPRESSAVG: 538000 24.6423 -36.4304 58.0664 -35.5319 6.25188 14.8442 54.7443 17.0437 -7.5336 TIMING: 538000 CPU: 1759.54, 0.00312177/step Wall: 1759.54, 0.00312177/step, 3.86926 hours remaining, 231.789062 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: 538000 3979.7782 20594.9328 14467.9014 250.4290 -204009.5590 2482.3696 0.0000 0.0000 51984.4244 -110249.7236 298.7552 -162234.1480 -109891.9609 298.6060 -83.6733 -54.1518 759312.3085 7.6325 7.7869 PRESSURE: 538200 -20.2547 -93.8324 132.329 -93.8323 59.9496 83.563 132.33 83.5638 286.822 GPRESSURE: 538200 22.311 -102.011 126.931 -49.0227 130.527 71.5196 152.927 213.083 243.099 PRESSAVG: 538200 44.64 5.13224 24.5607 5.13226 5.72864 -1.73196 24.5607 -1.73199 -1.21724 GPRESSAVG: 538200 44.501 5.43251 24.1815 3.23382 6.28711 -1.11117 24.3239 -0.947906 -2.18829 TIMING: 538200 CPU: 1760.16, 0.00312232/step Wall: 1760.16, 0.00312232/step, 3.86977 hours remaining, 231.789062 MB of memory in use. ENERGY: 538200 3850.6974 20502.6347 14470.5403 260.3627 -203478.5660 2446.4605 0.0000 0.0000 51834.5659 -110113.3044 297.8940 -161947.8703 -109746.1591 297.8466 108.8389 131.9791 761314.6793 16.3838 16.1999 PRESSURE: 538400 -87.5541 -43.7946 149.862 -43.7949 -248.421 -200.054 149.863 -200.054 450.956 GPRESSURE: 538400 -63.6397 -90.8559 123.917 -81.1329 -113.868 -197.527 94.7458 -169.1 379.701 PRESSAVG: 538400 -28.1558 7.39608 15.3993 7.3961 -28.6069 -1.14054 15.3994 -1.14052 12.0213 GPRESSAVG: 538400 -28.5274 5.81567 14.6383 10.2563 -29.1532 -0.641583 15.6484 -2.42176 13.1196 TIMING: 538400 CPU: 1760.79, 0.00312681/step Wall: 1760.79, 0.00312681/step, 3.87516 hours remaining, 231.789062 MB of memory in use. ENERGY: 538400 3992.4504 20508.3386 14385.6137 255.3973 -204281.4180 2928.3631 0.0000 0.0000 52193.1425 -110018.1124 299.9547 -162211.2550 -109654.3397 298.8095 38.3270 67.3976 760065.3627 -14.9138 -14.8537 PRESSURE: 538600 -149.227 -43.759 -49.6092 -43.7581 342.852 6.66608 -49.6094 6.66583 -108.916 GPRESSURE: 538600 -36.5432 31.8189 -23.9926 22.6381 279.022 -16.0187 -116.844 -63.8663 -76.5853 PRESSAVG: 538600 40.7958 -2.55897 -7.22552 -2.55899 -19.4696 30.3526 -7.22562 30.3526 10.9346 GPRESSAVG: 538600 41.832 -0.357557 -7.39677 -4.89676 -19.377 31.5143 -5.10622 28.8507 9.82039 TIMING: 538600 CPU: 1761.42, 0.0031281/step Wall: 1761.42, 0.0031281/step, 3.87659 hours remaining, 231.789062 MB of memory in use. ENERGY: 538600 4032.4402 20683.1009 14437.2079 248.1499 -203914.0710 2568.8822 0.0000 0.0000 51763.7836 -110180.5063 297.4872 -161944.2899 -109820.9197 298.4940 28.2366 55.2979 759911.8987 10.7536 10.7584 PRESSURE: 538800 146.764 153.908 -122.817 153.908 -222.907 -186.35 -122.817 -186.35 -125.88 GPRESSURE: 538800 156.276 180.808 -149.251 156.448 -133.731 -189.388 -143.357 -112.74 -123.807 PRESSAVG: 538800 36.8919 -15.8943 13.4085 -15.8943 -23.9387 -14.6999 13.4085 -14.6999 -18.8481 GPRESSAVG: 538800 36.3979 -17.6311 13.5043 -15.905 -24.6392 -13.7698 12.1697 -14.4367 -17.4247 TIMING: 538800 CPU: 1762.04, 0.00314537/step Wall: 1762.04, 0.00314537/step, 3.89781 hours remaining, 231.789062 MB of memory in use. ENERGY: 538800 3933.8213 20436.5025 14524.5383 264.0850 -203734.3026 2624.8154 0.0000 0.0000 52005.1364 -109945.4037 298.8742 -161950.5401 -109584.3480 298.5142 -67.3412 -33.7541 760891.6097 -1.9650 -1.8887 PRESSURE: 539000 -338.655 -73.9318 -101.187 -73.9318 -183.813 195.915 -101.186 195.915 -294.47 GPRESSURE: 539000 -359.545 -147.576 -53.4864 -216.113 -13.7749 139.119 -41.0856 233.358 -344.56 PRESSAVG: 539000 50.4005 -28.9788 5.80208 -28.9788 -29.5109 28.3661 5.80206 28.3661 -9.92931 GPRESSAVG: 539000 49.9139 -28.4288 6.44503 -29.0784 -28.4791 26.8565 3.79944 28.5602 -10.5113 TIMING: 539000 CPU: 1762.67, 0.00311836/step Wall: 1762.67, 0.00311836/step, 3.86417 hours remaining, 231.789062 MB of memory in use. ENERGY: 539000 4040.1637 20469.8667 14452.2249 234.4765 -203785.5520 2457.7515 0.0000 0.0000 52088.4502 -110042.6184 299.3530 -162131.0686 -109686.5554 298.9433 -272.3125 -239.2932 759617.3970 3.6534 3.6412 PRESSURE: 539200 -89.1848 -134.207 -24.0289 -134.207 4.42356 110.18 -24.0297 110.18 -138.758 GPRESSURE: 539200 -13.7455 -196.655 -3.70455 -36.3903 -42.9574 191.346 63.9183 -20.4779 -91.5391 PRESSAVG: 539200 -7.4097 3.41442 2.77008 3.41435 -19.2942 -10.9309 2.77006 -10.9309 -6.40244 GPRESSAVG: 539200 -7.02056 3.778 2.0788 3.46736 -21.1496 -11.1804 7.28652 -10.5047 -5.53046 TIMING: 539200 CPU: 1763.29, 0.00312378/step Wall: 1763.29, 0.00312378/step, 3.87071 hours remaining, 231.789062 MB of memory in use. ENERGY: 539200 4050.9802 20394.4047 14479.3439 253.6614 -203365.8210 2545.1831 0.0000 0.0000 51725.8887 -109916.3590 297.2694 -161642.2477 -109558.6067 298.6482 -74.5063 -49.4140 760073.1459 -11.0354 -11.2335 PRESSURE: 539400 134.682 -143.24 -94.1237 -143.239 25.8107 -60.2579 -94.1233 -60.2575 84.9395 GPRESSURE: 539400 243.596 -52.0456 -50.8735 -45.7683 43.5129 55.902 -153.034 -218.836 55.2602 PRESSAVG: 539400 31.6118 27.0001 -57.4897 27.0001 -33.8295 -40.4949 -57.4897 -40.4949 -6.74278 GPRESSAVG: 539400 30.9136 26.7219 -57.348 28.7876 -32.6216 -41.7698 -60.5211 -42.3428 -7.32267 TIMING: 539400 CPU: 1763.92, 0.00311674/step Wall: 1763.92, 0.00311674/step, 3.86182 hours remaining, 231.789062 MB of memory in use. ENERGY: 539400 3953.8243 20336.2936 14375.6361 254.9603 -203574.8598 2609.0052 0.0000 0.0000 51903.6744 -110141.4658 298.2911 -162045.1402 -109796.0805 298.5489 81.8106 114.1230 759591.2755 -2.9868 -3.0102 PRESSURE: 539600 -37.9593 -33.6465 -27.1099 -33.6456 77.4541 170.06 -27.1105 170.06 -340.575 GPRESSURE: 539600 -6.16669 25.7159 -5.09362 -71.4995 47.0169 187.047 -164.595 220.743 -251.638 PRESSAVG: 539600 46.7218 62.833 19.2945 62.8331 -56.4806 -18.593 19.2945 -18.5929 -8.56652 GPRESSAVG: 539600 47.3295 63.0668 20.0146 60.981 -57.0998 -16.1537 20.7474 -16.5364 -8.24655 TIMING: 539600 CPU: 1764.54, 0.00312651/step Wall: 1764.54, 0.00312651/step, 3.87375 hours remaining, 231.789062 MB of memory in use. ENERGY: 539600 3982.1743 20401.6348 14427.3261 227.5685 -203627.4860 2430.1304 0.0000 0.0000 52004.0314 -110154.6205 298.8679 -162158.6519 -109790.3324 297.9486 -100.3600 -70.2625 758984.4846 -6.1085 -6.0056 PRESSURE: 539800 23.8306 73.7107 -107.128 73.7103 328.985 -2.37178 -107.128 -2.37187 -0.100933 GPRESSURE: 539800 114.944 84.1484 -137.507 49.3349 274.235 53.7791 -133.502 -69.7625 51.413 PRESSAVG: 539800 29.1586 10.1199 23.503 10.12 -14.2516 9.25992 23.503 9.25994 10.2511 GPRESSAVG: 539800 29.3036 11.8493 24.1635 8.18407 -13.3163 6.57979 21.2089 8.73566 9.37665 TIMING: 539800 CPU: 1765.17, 0.00312527/step Wall: 1765.17, 0.00312527/step, 3.87204 hours remaining, 231.789062 MB of memory in use. ENERGY: 539800 3920.6792 20448.4950 14437.4831 237.4234 -203397.5034 2607.6191 0.0000 0.0000 51778.2801 -109967.5235 297.5705 -161745.8036 -109610.5093 298.4942 117.5716 146.8638 758605.2344 8.3860 8.4547 PRESSURE: 540000 -257.286 -309.007 -68.5597 -309.006 -28.2424 -98.2856 -68.5596 -98.2862 271.902 GPRESSURE: 540000 -258.275 -287.646 -3.17125 -339.476 26.3702 -50.3015 -83.358 -149.039 312.389 PRESSAVG: 540000 47.1909 0.124244 -47.8341 0.124228 -42.6008 -0.714652 -47.8341 -0.714577 -11.1643 GPRESSAVG: 540000 46.4947 -2.54823 -48.6965 3.78342 -43.0002 0.499288 -46.5633 0.165203 -10.2608 TIMING: 540000 CPU: 1765.79, 0.00312461/step Wall: 1765.79, 0.00312461/step, 3.87104 hours remaining, 231.789062 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: 540000 3884.4347 20468.6830 14544.1112 255.8945 -203310.3992 2405.2016 0.0000 0.0000 51790.9394 -109961.1348 297.6432 -161752.0742 -109604.9259 298.9489 -4.5420 26.8282 759300.1205 -2.1914 -2.2555 PRESSURE: 540200 30.3285 118.05 -133.784 118.051 7.73969 -52.1729 -133.784 -52.1738 29.8919 GPRESSURE: 540200 84.8866 136.7 -138.031 89.4402 2.13911 -99.7801 -85.3144 -12.4456 66.7452 PRESSAVG: 540200 46.2731 -39.0619 46.979 -39.0619 -2.67246 38.3201 46.9791 38.3201 23.4826 GPRESSAVG: 540200 45.8122 -37.0185 47.2731 -39.8651 -2.16034 39.5224 46.0287 37.1295 23.3291 TIMING: 540200 CPU: 1766.42, 0.0031375/step Wall: 1766.42, 0.0031375/step, 3.88684 hours remaining, 231.789062 MB of memory in use. ENERGY: 540200 3938.6817 20605.7120 14358.7198 259.1440 -203146.3981 2399.5882 0.0000 0.0000 51809.3966 -109775.1560 297.7493 -161584.5526 -109414.1334 298.7359 22.6534 51.2570 760371.8402 22.3611 22.3270 LDB: ============= START OF LOAD BALANCING ============== 1778.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1778.84 LDB: =============== DONE WITH MIGRATION ================ 1778.84 LDB: ============= START OF LOAD BALANCING ============== 1779.15 LDB: Largest compute 7075 load 0.034692 is 17.8% of average load 0.195251 LDB: Average compute 0.004398 is 2.3% of average load 0.195251 LDB: TIME 1779.16 LOAD: AVG 0.195251 MAX 0.217342 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 1779.16 LOAD: AVG 0.195251 MAX 0.217342 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: TIME 1779.16 LOAD: AVG 0.195251 MAX 0.217342 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: ============== END OF LOAD BALANCING =============== 1779.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1779.16 PRESSURE: 540400 -61.0048 -119.763 -102.708 -119.763 -105.77 -92.6734 -102.708 -92.6731 -373.918 GPRESSURE: 540400 -15.0956 -184.686 -138.038 -108.364 -54.8501 -28.8259 -123.134 -40.1249 -386.778 PRESSAVG: 540400 3.53281 -5.13755 42.4733 -5.13754 -9.51407 -2.87637 42.4733 -2.87632 -17.1444 GPRESSAVG: 540400 4.681 -5.65025 41.1858 -5.30454 -10.1942 -3.97189 42.985 -2.87736 -17.7135 TIMING: 540400 CPU: 1767.06, 0.00319194/step Wall: 1767.06, 0.00319194/step, 3.95411 hours remaining, 231.328125 MB of memory in use. ENERGY: 540400 4020.3130 20399.9348 14414.8718 246.4084 -202949.6508 2364.9691 0.0000 0.0000 51893.2513 -109609.9024 298.2312 -161503.1537 -109257.0904 299.0109 -180.2311 -152.2411 762139.1304 -7.7086 -7.7422 PRESSURE: 540600 143.094 132.979 157.529 132.979 144.915 60.8776 157.53 60.877 9.81383 GPRESSURE: 540600 261.175 -44.5012 187.805 55.2675 67.6857 150.18 234.302 34.2803 29.3981 PRESSAVG: 540600 34.6949 -40.2914 31.923 -40.2915 -69.2638 -9.93143 31.923 -9.93147 -0.48081 GPRESSAVG: 540600 33.0772 -40.5348 34.1143 -38.3793 -68.837 -10.6703 30.4909 -9.6714 0.355073 TIMING: 540600 CPU: 1767.68, 0.00311867/step Wall: 1767.68, 0.00311867/step, 3.86317 hours remaining, 231.527344 MB of memory in use. ENERGY: 540600 3868.3771 20339.9633 14392.9908 228.0269 -202961.7452 2413.3855 0.0000 0.0000 52117.5879 -109601.4138 299.5205 -161719.0016 -109222.8595 299.1514 99.2741 119.4197 761276.5744 -11.6832 -11.8016 PRESSURE: 540800 117.544 -190.406 -35.0487 -190.405 185.041 -381.997 -35.0485 -381.996 -309.172 GPRESSURE: 540800 119.726 -187.179 -41.3054 -137.99 275.865 -338.136 -33.4324 -280.484 -321.596 PRESSAVG: 540800 16.838 -2.97552 7.91078 -2.97546 53.413 13.6911 7.91079 13.6911 7.85695 GPRESSAVG: 540800 17.7705 -3.64972 6.13348 -3.2226 54.431 14.4071 10.5031 13.4721 6.45898 TIMING: 540800 CPU: 1768.31, 0.00313093/step Wall: 1768.31, 0.00313093/step, 3.87818 hours remaining, 231.527344 MB of memory in use. ENERGY: 540800 4001.2184 20374.2223 14392.9477 248.3316 -203388.4307 2542.3759 0.0000 0.0000 52242.7913 -109586.5435 300.2400 -161829.3348 -109226.5153 299.4334 -2.1959 24.6649 761075.5266 26.0360 26.2202 PRESSURE: 541000 69.8799 71.7945 -76.1331 71.794 36.935 -140.429 -76.1331 -140.43 -255.217 GPRESSURE: 541000 72.8442 -70.1241 -88.6252 108.012 64.4377 -119.692 -68.6317 -178.924 -196.537 PRESSAVG: 541000 -40.9052 -53.0088 67.1535 -53.0088 64.0584 18.4382 67.1536 18.4383 -4.72921 GPRESSAVG: 541000 -40.78 -53.9805 67.4076 -54.5899 62.3003 17.9367 67.5968 17.8762 -3.16173 TIMING: 541000 CPU: 1768.94, 0.00315136/step Wall: 1768.94, 0.00315136/step, 3.90331 hours remaining, 231.527344 MB of memory in use. ENERGY: 541000 3962.9683 20463.2970 14467.8640 242.8865 -203259.0754 2498.4877 0.0000 0.0000 52006.0169 -109617.5550 298.8793 -161623.5718 -109252.8040 299.1840 -49.4673 -19.7516 761981.3171 6.1413 6.1195 PRESSURE: 541200 -87.1249 44.177 55.2313 44.1767 139.744 68.8526 55.2305 68.8523 103.538 GPRESSURE: 541200 80.5374 77.8698 70.657 74.5229 140.954 34.7059 3.49377 -1.85766 24.7399 PRESSAVG: 541200 58.0772 -27.0032 6.48935 -27.0032 -64.7112 -56.1291 6.48931 -56.1292 -14.3671 GPRESSAVG: 541200 56.4223 -25.3573 6.14706 -27.7017 -63.155 -57.4017 5.14517 -56.1679 -14.4336 TIMING: 541200 CPU: 1769.56, 0.00313669/step Wall: 1769.56, 0.00313669/step, 3.88496 hours remaining, 231.527344 MB of memory in use. ENERGY: 541200 3897.2701 20501.9937 14350.4366 252.4976 -203312.8775 2478.5076 0.0000 0.0000 52153.4801 -109678.6918 299.7268 -161832.1719 -109315.9628 299.0360 52.0524 82.0772 760656.5731 -7.0004 -7.0554 PRESSURE: 541400 -165.045 -25.9122 -20.1779 -25.9116 155.2 -57.0435 -20.1779 -57.0439 -392.691 GPRESSURE: 541400 -70.54 -156.781 -27.3246 1.70124 43.6789 -63.0735 24.2855 11.9021 -280.174 PRESSAVG: 541400 65.1544 -7.66114 28.244 -7.66111 7.49622 -51.0899 28.244 -51.0898 20.728 GPRESSAVG: 541400 66.0001 -8.05547 28.7288 -6.57613 7.52477 -49.8124 28.8678 -49.1124 20.2037 TIMING: 541400 CPU: 1770.19, 0.00313931/step Wall: 1770.19, 0.00313931/step, 3.88804 hours remaining, 231.527344 MB of memory in use. ENERGY: 541400 3906.6301 20496.8424 14463.8165 241.7419 -203101.9944 2295.3053 0.0000 0.0000 51927.8724 -109769.7857 298.4302 -161697.6582 -109415.0739 299.0295 -134.1786 -102.3449 760203.5563 31.1262 31.2429 PRESSURE: 541600 -3.86137 145.617 14.1344 145.617 -439.88 -27.562 14.1339 -27.5629 578.276 GPRESSURE: 541600 -14.0088 -48.765 -8.16788 -0.684657 -346.768 -57.726 -23.8766 -13.6453 589.696 PRESSAVG: 541600 -0.286327 -32.3938 6.12734 -32.3938 -28.5584 -15.9063 6.12735 -15.9063 -13.926 GPRESSAVG: 541600 -0.45126 -32.9881 7.29696 -31.3611 -28.4721 -15.3741 5.32942 -16.9005 -14.229 TIMING: 541600 CPU: 1770.82, 0.0031327/step Wall: 1770.82, 0.0031327/step, 3.87967 hours remaining, 231.527344 MB of memory in use. ENERGY: 541600 3987.8804 20565.4687 14460.7778 257.6692 -203390.8724 2173.5804 0.0000 0.0000 51958.7847 -109986.7111 298.6078 -161945.4958 -109629.9133 298.6233 44.8448 76.3064 760424.3159 -14.2569 -14.3841 PRESSURE: 541800 95.5914 -25.163 -15.7736 -25.1622 358.898 -160.447 -15.7737 -160.447 384.116 GPRESSURE: 541800 80.1718 -24.0232 -16.1438 -12.9406 336.227 -125.964 75.5902 45.6988 504.955 PRESSAVG: 541800 5.04447 -10.1016 -38.9268 -10.1016 -16.8184 -25.087 -38.9268 -25.0869 8.63277 GPRESSAVG: 541800 5.55893 -10.9398 -40.3538 -10.2023 -18.0335 -24.8271 -40.7596 -24.833 9.73477 TIMING: 541800 CPU: 1771.45, 0.00313803/step Wall: 1771.45, 0.00313803/step, 3.8861 hours remaining, 231.527344 MB of memory in use. ENERGY: 541800 3932.3270 20453.8407 14455.6472 239.0486 -203561.8463 2613.2898 0.0000 0.0000 51767.2226 -110100.4704 297.5069 -161867.6930 -109743.4324 298.7233 279.5352 307.1180 759055.1735 -1.0471 -0.9133 PRESSURE: 542000 -95.7217 54.1282 69.5125 54.1294 -60.0421 -6.52291 69.5114 -6.52231 209.404 GPRESSURE: 542000 89.9865 27.7416 142.229 -102.035 -122.896 15.4585 148.596 -54.8241 160.723 PRESSAVG: 542000 33.94 -51.2566 35.8537 -51.2566 -46.9035 -11.5147 35.8537 -11.5146 9.56297 GPRESSAVG: 542000 33.5187 -50.2414 35.8225 -50.4362 -45.3974 -12.8707 37.9985 -11.8423 8.05581 TIMING: 542000 CPU: 1772.07, 0.00313324/step Wall: 1772.07, 0.00313324/step, 3.87999 hours remaining, 231.527344 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: 542000 3947.8674 20345.0132 14447.9117 234.2571 -203844.4576 2745.0303 0.0000 0.0000 51835.9974 -110288.3805 297.9022 -162124.3780 -109920.0251 297.6719 17.8802 42.6046 759578.1877 -1.1335 -1.2743 PRESSURE: 542200 -136.753 23.7121 -215.76 23.7126 -337.521 15.3645 -215.761 15.3653 -283.713 GPRESSURE: 542200 -105.297 -125.882 -112.927 99.8275 -311.37 14.8696 -171.096 -26.0035 -252.119 PRESSAVG: 542200 -10.4184 -61.8485 9.82418 -61.8485 -34.7153 -2.19811 9.82412 -2.19813 10.0033 GPRESSAVG: 542200 -9.60497 -61.5728 10.0982 -61.9824 -36.2369 -2.33078 10.6584 -1.04736 11.343 TIMING: 542200 CPU: 1772.7, 0.00313017/step Wall: 1772.7, 0.00313017/step, 3.87602 hours remaining, 231.527344 MB of memory in use. ENERGY: 542200 3962.7644 20680.4247 14456.7076 253.0351 -203508.8629 2172.3420 0.0000 0.0000 51832.9325 -110150.6566 297.8846 -161983.5891 -109791.5720 298.2392 -252.6622 -222.9285 759512.9911 -11.7102 -11.4996 PRESSURE: 542400 -19.3322 242.911 -136.835 242.911 -100.538 -31.989 -136.835 -31.9883 -182.493 GPRESSURE: 542400 6.54448 278.672 -38.7063 230.174 -56.5965 12.3574 -55.7559 -72.0577 -163.015 PRESSAVG: 542400 0.263761 -14.637 -15.0274 -14.637 5.59401 -28.1852 -15.0274 -28.1852 -8.33534 GPRESSAVG: 542400 0.561691 -12.9339 -13.0008 -16.0625 5.92623 -27.1582 -13.3284 -30.5736 -9.39412 TIMING: 542400 CPU: 1773.33, 0.00313106/step Wall: 1773.33, 0.00313106/step, 3.87695 hours remaining, 231.527344 MB of memory in use. ENERGY: 542400 4045.7097 20471.0212 14554.2107 229.9800 -203808.4948 2471.3108 0.0000 0.0000 52063.7936 -109972.4689 299.2113 -162036.2625 -109604.5981 298.4263 -100.7879 -71.0222 760167.4190 -0.8259 -0.9687 PRESSURE: 542600 60.9943 -10.6252 12.3066 -10.6254 -223.827 121.382 12.3054 121.383 -8.15625 GPRESSURE: 542600 62.5457 -74.3581 -72.8337 -39.8285 -177.599 129.114 52.3029 70.2787 36.8438 PRESSAVG: 542600 57.2286 -59.3719 54.9254 -59.3719 15.2417 3.28156 54.9254 3.28153 30.831 GPRESSAVG: 542600 55.7111 -62.1395 51.9288 -57.9395 15.938 0.842087 54.5146 6.02966 30.9181 TIMING: 542600 CPU: 1773.95, 0.00313314/step Wall: 1773.95, 0.00313314/step, 3.87935 hours remaining, 231.527344 MB of memory in use. ENERGY: 542600 4004.9838 20558.3852 14398.9034 241.7133 -203763.9344 2666.5954 0.0000 0.0000 52039.9152 -109853.4381 299.0741 -161893.3533 -109497.9745 299.0384 -56.9962 -26.0700 760011.7228 34.4338 34.1891 PRESSURE: 542800 82.2051 -69.8993 178.883 -69.8995 108.369 235.325 178.883 235.324 -19.2373 GPRESSURE: 542800 148.582 -73.1344 148.941 43.5175 145.28 161.222 118.202 152.333 -19.7111 PRESSAVG: 542800 -9.05604 -26.9058 56.5593 -26.9058 -3.00386 22.9286 56.5593 22.9286 -28.0893 GPRESSAVG: 542800 -9.90903 -25.5333 58.8109 -27.3233 -2.91769 22.4098 54.6889 21.3486 -27.3392 TIMING: 542800 CPU: 1774.57, 0.00311186/step Wall: 1774.57, 0.00311186/step, 3.85282 hours remaining, 231.527344 MB of memory in use. ENERGY: 542800 3989.2361 20397.2686 14487.7392 267.6181 -203839.9880 2549.6976 0.0000 0.0000 52246.6529 -109901.7756 300.2622 -162148.4285 -109521.6236 298.5114 57.1122 91.3835 759468.0927 -13.3831 -13.3887 PRESSURE: 543000 -105.948 52.0817 -89.3922 52.0825 -174.318 -3.55667 -89.3924 -3.55712 -356.401 GPRESSURE: 543000 -80.2635 32.8761 -60.4097 73.8245 -95.3063 12.6384 -10.2924 -14.9755 -384.956 PRESSAVG: 543000 29.3045 4.59867 9.97709 4.59873 0.843353 0.8488 9.97706 0.848773 14.2778 GPRESSAVG: 543000 29.9627 4.81823 9.47391 4.23309 0.418552 2.38745 11.0181 0.52309 13.2393 TIMING: 543000 CPU: 1775.2, 0.00313521/step Wall: 1775.2, 0.00313521/step, 3.88156 hours remaining, 231.527344 MB of memory in use. ENERGY: 543000 3993.8523 20355.8816 14428.8892 251.0751 -203801.1842 2682.9562 0.0000 0.0000 52215.5127 -109873.0170 300.0833 -162088.5297 -109513.8332 298.8967 -212.2222 -186.8418 759035.9539 14.8086 14.5402 PRESSURE: 543200 21.531 17.2866 43.7844 17.2876 108.256 66.5653 43.7842 66.5662 92.3395 GPRESSURE: 543200 43.4308 51.6283 53.2927 -50.9022 110.101 -32.3053 151.237 176.354 146.209 PRESSAVG: 543200 41.0137 5.61599 5.99725 5.61592 -54.845 8.4208 5.99727 8.42076 -11.239 GPRESSAVG: 543200 40.4548 5.9019 6.15585 5.30553 -54.6362 10.0433 2.95145 8.30768 -11.102 TIMING: 543200 CPU: 1775.83, 0.00311891/step Wall: 1775.83, 0.00311891/step, 3.86121 hours remaining, 231.527344 MB of memory in use. ENERGY: 543200 3913.6506 20341.3649 14451.6364 241.0590 -204025.0730 2646.0901 0.0000 0.0000 52191.2457 -110240.0263 299.9438 -162431.2720 -109871.5643 297.9861 74.0420 99.9137 759711.5206 -8.3568 -8.4278 PRESSURE: 543400 140.644 -102.653 -187.419 -102.654 -12.8019 -177.808 -187.419 -177.808 -347.415 GPRESSURE: 543400 172.298 -164.705 -173.48 -75.8324 5.75053 -208.322 -251.011 -156.983 -313.005 PRESSAVG: 543400 -10.1715 -45.1709 36.1573 -45.171 -45.4148 -6.65803 36.1572 -6.65802 2.98783 GPRESSAVG: 543400 -9.99746 -47.4164 36.4716 -44.2956 -45.6952 -10.5023 38.1368 -6.35608 3.27806 TIMING: 543400 CPU: 1776.45, 0.00312803/step Wall: 1776.45, 0.00312803/step, 3.87233 hours remaining, 231.527344 MB of memory in use. ENERGY: 543400 3983.6706 20374.4586 14502.5099 242.1766 -203319.6935 2385.1895 0.0000 0.0000 51887.8513 -109943.8369 298.2002 -161831.6883 -109585.6446 297.7628 -73.1908 -44.9855 760156.9568 -17.5328 -17.4715 PRESSURE: 543600 -20.8748 165.684 -94.2571 165.684 -146.092 -177.86 -94.2574 -177.861 -13.682 GPRESSURE: 543600 75.7041 89.9531 -157.664 76.066 -124.629 -114.472 -149.798 -63.3779 -52.1891 PRESSAVG: 543600 53.5747 -2.61279 -42.4115 -2.6128 -27.9903 16.1916 -42.4115 16.1916 -7.23741 GPRESSAVG: 543600 54.0351 0.412274 -42.6643 -4.11605 -28.4651 19.2802 -43.8065 14.0529 -7.14052 TIMING: 543600 CPU: 1777.08, 0.00312833/step Wall: 1777.08, 0.00312833/step, 3.87252 hours remaining, 231.527344 MB of memory in use. ENERGY: 543600 3993.1295 20311.7575 14485.5895 235.0387 -203731.8450 2701.5483 0.0000 0.0000 51947.6420 -110057.1396 298.5438 -162004.7816 -109689.0130 298.0724 -60.2164 -33.7047 761346.6847 6.1157 6.1431 PRESSURE: 543800 192.663 81.0726 22.2279 81.0729 -174.465 -179.351 22.2284 -179.352 -64.4944 GPRESSURE: 543800 157.394 42.4445 44.7162 114.746 -76.1251 -126.483 -89.0398 -160.712 -57.2496 PRESSAVG: 543800 62.4329 -4.48006 -6.29772 -4.48007 -61.2312 -1.47757 -6.2977 -1.47755 -34.1242 GPRESSAVG: 543800 62.6298 -6.30682 -7.56212 -5.62382 -61.4633 -2.2155 -6.10665 1.31424 -34.1907 TIMING: 543800 CPU: 1777.7, 0.00313953/step Wall: 1777.7, 0.00313953/step, 3.88621 hours remaining, 231.527344 MB of memory in use. ENERGY: 543800 3961.0232 20547.8856 14556.1814 261.4326 -203454.9103 2481.8503 0.0000 0.0000 51729.0063 -109917.5309 297.2873 -161646.5372 -109564.8048 297.9749 -15.4321 8.0063 760932.4711 -10.9742 -11.0081 PRESSURE: 544000 -160.432 49.3129 7.6666 49.3121 5.45307 208.93 7.66693 208.929 99.3358 GPRESSURE: 544000 -98.7243 78.8142 113.247 134.255 -16.2902 121.573 5.69228 44.8778 148.571 PRESSAVG: 544000 35.2821 19.9504 -12.2049 19.9503 -30.8684 -20.0392 -12.2049 -20.0391 -6.62374 GPRESSAVG: 544000 33.1621 19.5032 -9.78584 22.4227 -29.7309 -20.6757 -11.9032 -22.4651 -6.00474 TIMING: 544000 CPU: 1778.33, 0.00312468/step Wall: 1778.33, 0.00312468/step, 3.86766 hours remaining, 231.527344 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: 544000 3978.5548 20442.4832 14502.9514 242.7518 -203375.5170 2390.5586 0.0000 0.0000 51766.7155 -110051.5017 297.5040 -161818.2172 -109695.9096 298.4719 -18.5476 11.1856 761191.8759 -0.7367 -0.8578 PRESSURE: 544200 -21.6295 -8.68326 169.558 -8.68486 -16.7808 -229.876 169.558 -229.875 -95.1613 GPRESSURE: 544200 109.082 -7.49791 60.9887 56.3058 35.0848 -203.604 162.73 -342.891 -177.833 PRESSAVG: 544200 -3.42157 16.7991 -8.52114 16.7991 -33.1292 -64.8359 -8.52112 -64.8361 -21.3048 GPRESSAVG: 544200 -1.72134 18.5931 -10.7888 16.8215 -34.1136 -63.0574 -7.03217 -65.189 -21.6426 TIMING: 544200 CPU: 1778.96, 0.0031423/step Wall: 1778.96, 0.0031423/step, 3.88929 hours remaining, 231.527344 MB of memory in use. ENERGY: 544200 3981.6221 20460.1754 14460.4458 264.9846 -203710.6417 2556.4359 0.0000 0.0000 52059.8246 -109927.1533 299.1885 -161986.9779 -109564.9753 298.3796 -44.5239 -11.2221 761894.1923 -19.2852 -19.1592 LDB: ============= START OF LOAD BALANCING ============== 1791.38 LDB: ============== END OF LOAD BALANCING =============== 1791.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1791.38 LDB: ============= START OF LOAD BALANCING ============== 1791.69 LDB: Largest compute 7077 load 0.033114 is 17.0% of average load 0.195110 LDB: Average compute 0.004405 is 2.3% of average load 0.195110 LDB: TIME 1791.7 LOAD: AVG 0.19511 MAX 0.216575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.969 MB LDB: TIME 1791.7 LOAD: AVG 0.19511 MAX 0.216575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.137 MB LDB: TIME 1791.7 LOAD: AVG 0.19511 MAX 0.216575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.137 MB LDB: ============== END OF LOAD BALANCING =============== 1791.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1791.71 PRESSURE: 544400 13.0202 -203.555 74.4336 -203.556 111.323 48.4873 74.4338 48.4863 143.192 GPRESSURE: 544400 -39.3169 -236.404 187.589 -108.061 239.922 131.498 82.2996 108.742 183.302 PRESSAVG: 544400 -36.6944 -60.6805 10.8112 -60.6805 34.4245 -41.9291 10.8112 -41.9291 -15.9288 GPRESSAVG: 544400 -37.217 -62.4685 11.4696 -61.1113 35.1437 -41.7942 10.4172 -41.0829 -16.1673 TIMING: 544400 CPU: 1779.6, 0.00320765/step Wall: 1779.6, 0.00320765/step, 3.97 hours remaining, 232.722656 MB of memory in use. ENERGY: 544400 3951.2663 20418.4986 14439.3649 255.0825 -203662.3242 2630.2061 0.0000 0.0000 52016.2256 -109951.6801 298.9380 -161967.9057 -109591.4539 298.5439 89.1785 127.9692 759995.4582 -6.0662 -6.0802 PRESSURE: 544600 297.197 -97.3175 -302.243 -97.3179 -151.193 -112.926 -302.243 -112.927 -257.692 GPRESSURE: 544600 347.418 -149.161 -312.292 -18.0362 -102.655 -96.1377 -214.517 -149.507 -258.161 PRESSAVG: 544600 29.7437 -10.8815 -18.3482 -10.8815 3.97627 -7.06807 -18.3481 -7.06809 2.27036 GPRESSAVG: 544600 29.8028 -11.8865 -17.8773 -11.8952 2.66684 -9.71817 -17.1234 -4.66495 3.9249 TIMING: 544600 CPU: 1780.22, 0.00312718/step Wall: 1780.22, 0.00312718/step, 3.87024 hours remaining, 232.792969 MB of memory in use. ENERGY: 544600 4029.6334 20367.4073 14500.0348 223.3614 -203562.2126 2699.7893 0.0000 0.0000 51855.0774 -109886.9089 298.0118 -161741.9864 -109537.8106 298.7203 -37.2295 -4.4662 761981.9356 11.9968 12.1315 PRESSURE: 544800 15.3838 -145.59 148.319 -145.591 -399.832 111.076 148.32 111.075 -126.32 GPRESSURE: 544800 19.8408 -82.4588 114.687 -104.762 -277.747 144.795 277.629 26.2824 -181.784 PRESSAVG: 544800 -34.1724 -34.2328 -9.43936 -34.2328 -10.5546 12.1406 -9.4394 12.1407 26.3499 GPRESSAVG: 544800 -34.6133 -32.0592 -10.2544 -34.4282 -9.71713 13.2895 -9.83877 11.7418 25.8276 TIMING: 544800 CPU: 1780.85, 0.00311582/step Wall: 1780.85, 0.00311582/step, 3.856 hours remaining, 232.792969 MB of memory in use. ENERGY: 544800 3995.5711 20476.3693 14501.9893 237.0762 -203644.6674 2505.4135 0.0000 0.0000 52144.8077 -109783.4402 299.6769 -161928.2479 -109417.0110 298.5472 -170.2562 -146.5634 759683.1132 -6.1257 -6.1676 PRESSURE: 545000 -58.2611 -135.889 34.5771 -135.889 -204.038 -124.435 34.5769 -124.436 -290.061 GPRESSURE: 545000 -89.1325 -138.944 91.888 -201.367 -112.021 -83.9632 52.2616 24.7269 -260.1 PRESSAVG: 545000 61.8359 -78.8972 -57.339 -78.8972 -27.0694 -76.1518 -57.3389 -76.1517 -2.84626 GPRESSAVG: 545000 62.0571 -80.0309 -56.066 -78.2495 -27.3925 -76.3952 -57.6173 -77.7778 -2.52387 TIMING: 545000 CPU: 1781.47, 0.00311535/step Wall: 1781.47, 0.00311535/step, 3.85524 hours remaining, 232.937500 MB of memory in use. ENERGY: 545000 4054.8407 20474.0692 14519.9039 254.2685 -203593.0253 2392.5333 0.0000 0.0000 52052.2261 -109845.1836 299.1449 -161897.4097 -109471.6716 299.2909 -184.1200 -153.7511 760363.6222 10.6401 10.7136 PRESSURE: 545200 126.25 -86.7958 -66.9476 -86.7952 142.754 17.7263 -66.9476 17.7274 -209.95 GPRESSURE: 545200 198.566 -118.874 -29.4722 -63.7797 160.393 52.2662 -106.62 -5.26337 -218.644 PRESSAVG: 545200 35.7061 -12.29 -41.6355 -12.29 -8.74114 -18.8338 -41.6355 -18.8337 6.55342 GPRESSAVG: 545200 36.2874 -13.7443 -42.6603 -11.2086 -8.63006 -17.5792 -43.7885 -18.6526 6.20229 TIMING: 545200 CPU: 1782.1, 0.00313856/step Wall: 1782.1, 0.00313856/step, 3.88379 hours remaining, 232.937500 MB of memory in use. ENERGY: 545200 4016.3515 20485.5474 14536.8961 231.2277 -203655.2995 2572.1025 0.0000 0.0000 51947.9227 -109865.2516 298.5454 -161813.1742 -109500.8610 299.1170 19.6847 46.7715 761142.4286 11.1728 11.2865 PRESSURE: 545400 -228.878 62.8999 123.863 62.8998 -101.346 148.507 123.862 148.508 -30.2278 GPRESSURE: 545400 -159.878 238.498 150.433 -41.8402 -48.8306 107.368 71.5482 -21.4108 -63.28 PRESSAVG: 545400 34.9488 -15.8279 -38.4824 -15.8279 -20.8706 -18.2536 -38.4823 -18.2537 8.39249 GPRESSAVG: 545400 36.0363 -14.1086 -38.0263 -17.0665 -20.9635 -18.4264 -38.2698 -18.2929 7.60303 TIMING: 545400 CPU: 1782.73, 0.00313381/step Wall: 1782.73, 0.00313381/step, 3.87774 hours remaining, 232.937500 MB of memory in use. ENERGY: 545400 4020.8921 20430.9731 14435.3829 230.4021 -203121.7942 2294.2716 0.0000 0.0000 51824.3486 -109885.5238 297.8352 -161709.8724 -109528.0132 299.0836 -120.1504 -90.6629 762177.3232 7.4903 7.5586 PRESSURE: 545600 -383.479 -31.102 -257.093 -31.1019 29.3467 -118.917 -257.094 -118.917 -117.532 GPRESSURE: 545600 -405.612 10.7758 -225.971 10.9019 122.238 -112.168 -330.75 -131.459 -105.088 PRESSAVG: 545600 -15.1705 -0.585111 -33.668 -0.585089 2.46812 -26.1943 -33.668 -26.1944 0.682684 GPRESSAVG: 545600 -16.0577 1.02148 -35.77 -0.563362 2.60866 -26.191 -33.2142 -26.5833 1.38076 TIMING: 545600 CPU: 1783.35, 0.00312149/step Wall: 1783.35, 0.00312149/step, 3.86232 hours remaining, 232.937500 MB of memory in use. ENERGY: 545600 3982.3431 20366.0582 14450.8544 247.2013 -203442.5593 2454.9742 0.0000 0.0000 51955.4352 -109985.6930 298.5886 -161941.1281 -109625.1654 297.9007 -157.2215 -129.4874 760846.1134 -4.0066 -4.0227 PRESSURE: 545800 332.654 83.7324 -243.329 83.7325 31.056 143.725 -243.329 143.726 -96.2352 GPRESSURE: 545800 234.365 28.7495 -249.666 41.401 179.792 101.045 -188.435 73.5692 -56.9687 PRESSAVG: 545800 12.5878 -15.6107 -63.4694 -15.6107 -2.64643 -15.2538 -63.4694 -15.2537 -1.7195 GPRESSAVG: 545800 11.605 -16.7949 -61.5458 -14.8968 -1.5189 -16.4315 -63.638 -14.1811 -1.26313 TIMING: 545800 CPU: 1783.97, 0.0031096/step Wall: 1783.97, 0.0031096/step, 3.84744 hours remaining, 232.937500 MB of memory in use. ENERGY: 545800 4041.0787 20431.6386 14456.8967 257.4027 -203501.6460 2700.1045 0.0000 0.0000 51968.8830 -109645.6419 298.6659 -161614.5249 -109290.2136 298.1072 89.1581 119.0629 762320.4413 2.7406 2.9410 PRESSURE: 546000 -16.5258 60.6672 196.538 60.6679 176.496 159.554 196.538 159.554 190.06 GPRESSURE: 546000 90.8934 116.549 227.625 80.835 216.926 168.133 201.839 348.559 141.088 PRESSAVG: 546000 2.25794 -17.5509 -17.2456 -17.5509 2.44306 -10.8052 -17.2456 -10.8052 -4.31966 GPRESSAVG: 546000 3.91559 -19.3835 -16.2103 -16.7934 0.362191 -9.56724 -15.7629 -11.7442 -4.42171 TIMING: 546000 CPU: 1784.6, 0.00313036/step Wall: 1784.6, 0.00313036/step, 3.87295 hours remaining, 232.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 3897.1888 20429.8823 14427.9105 255.8735 -203161.8781 2419.8744 0.0000 0.0000 52195.5821 -109535.5666 299.9687 -161731.1487 -109162.3400 299.1450 116.6767 149.6357 760653.8146 0.1271 -0.0480 PRESSURE: 546200 3.28107 6.03353 57.2457 6.03322 -79.9663 6.56003 57.2455 6.56 -165.277 GPRESSURE: 546200 33.0176 45.3417 34.2421 107.012 -45.3568 -18.8152 58.2981 25.8114 -146.424 PRESSAVG: 546200 3.47363 7.70909 -5.94982 7.70907 -8.65256 11.2753 -5.94977 11.2753 1.13611 GPRESSAVG: 546200 2.0656 10.4425 -6.10956 3.99793 -7.24865 10.095 -8.26302 13.0327 1.03354 TIMING: 546200 CPU: 1785.23, 0.00313858/step Wall: 1785.23, 0.00313858/step, 3.88294 hours remaining, 232.937500 MB of memory in use. ENERGY: 546200 3995.8090 20445.2255 14396.8555 233.7671 -202817.8208 2211.8058 0.0000 0.0000 52036.6730 -109497.6847 299.0555 -161534.3577 -109130.1739 299.0876 -80.6541 -52.9210 762794.2556 -1.3476 -1.3832 PRESSURE: 546400 10.0444 -101.905 -184.098 -101.904 -47.2981 108.212 -184.097 108.212 -206.084 GPRESSURE: 546400 -8.39418 -51.687 -234.288 -34.0241 -36.6546 76.9119 -162.893 43.7324 -111.907 PRESSAVG: 546400 19.0508 -34.486 -15.5644 -34.4859 29.088 -41.5024 -15.5644 -41.5024 15.8105 GPRESSAVG: 546400 19.4748 -33.383 -18.8976 -32.7381 29.9877 -40.0088 -12.1166 -41.7172 14.6707 TIMING: 546400 CPU: 1785.85, 0.00312918/step Wall: 1785.85, 0.00312918/step, 3.87115 hours remaining, 232.937500 MB of memory in use. ENERGY: 546400 4034.0282 20643.0479 14341.7842 241.3979 -203520.4980 2701.0324 0.0000 0.0000 51985.3815 -109573.8259 298.7607 -161559.2074 -109207.4038 299.0776 -81.1127 -52.3186 761476.9093 21.3164 21.3777 PRESSURE: 546600 -157.307 -37.05 7.92619 -37.0507 -161.873 113.496 7.92621 113.495 -126.645 GPRESSURE: 546600 -60.2587 -102.405 -51.8379 -123.076 -181.249 130.33 -11.3308 140.847 -121.785 PRESSAVG: 546600 -3.75097 -27.7907 -53.712 -27.7907 0.186322 -14.5999 -53.712 -14.6 1.99074 GPRESSAVG: 546600 -4.15944 -28.7846 -52.3731 -30.335 -0.736765 -16.1996 -53.8772 -16.1506 3.27656 TIMING: 546600 CPU: 1786.47, 0.00311202/step Wall: 1786.47, 0.00311202/step, 3.84974 hours remaining, 232.937500 MB of memory in use. ENERGY: 546600 3969.4919 20650.6980 14427.3501 224.7737 -203430.4009 2470.3405 0.0000 0.0000 52236.1363 -109451.6105 300.2018 -161687.7468 -109092.0254 299.4854 -148.6084 -121.0977 760359.3022 -0.5246 -0.5399 PRESSURE: 546800 -2.26325 -94.6187 162.812 -94.6193 -221.553 -196.531 162.812 -196.531 -84.9116 GPRESSURE: 546800 -40.2757 -83.3104 140.067 -122.696 -170.906 -118.432 144.267 -172.54 -10.9274 PRESSAVG: 546800 1.06854 -2.99058 -31.7489 -2.99053 4.47729 -23.785 -31.7489 -23.785 -21.1954 GPRESSAVG: 546800 1.71432 -5.25554 -31.408 -0.473765 4.67781 -22.6282 -32.4241 -24.3916 -22.1779 TIMING: 546800 CPU: 1787.1, 0.00310689/step Wall: 1787.1, 0.00310689/step, 3.84322 hours remaining, 232.937500 MB of memory in use. ENERGY: 546800 3966.2943 20671.1295 14394.1048 255.0381 -203119.9096 2261.0980 0.0000 0.0000 51989.3164 -109582.9286 298.7833 -161572.2450 -109220.6388 299.3681 -102.9092 -74.0363 760664.0346 -5.2165 -5.2619 PRESSURE: 547000 -258.455 243.836 5.99921 243.836 120.691 -245.003 5.99899 -245.004 366.951 GPRESSURE: 547000 -329.071 203.049 -17.4417 234.427 219.642 -195.765 -3.00689 -156.361 420.869 PRESSAVG: 547000 42.7283 15.0295 44.7973 15.0295 -14.3791 -51.6519 44.7973 -51.6519 23.5749 GPRESSAVG: 547000 42.5871 15.3199 45.2659 14.6403 -15.3169 -52.1865 43.2834 -50.7946 24.3152 TIMING: 547000 CPU: 1787.72, 0.00311331/step Wall: 1787.72, 0.00311331/step, 3.85099 hours remaining, 232.937500 MB of memory in use. ENERGY: 547000 4031.8681 20420.1580 14536.4224 269.4614 -203433.4721 2560.7979 0.0000 0.0000 52103.3149 -109511.4495 299.4385 -161614.7644 -109156.7863 299.5617 76.3956 103.8135 760553.0503 17.3080 17.1952 PRESSURE: 547200 19.8609 -49.4693 203.108 -49.4691 41.0221 -75.8533 203.109 -75.854 8.61425 GPRESSURE: 547200 -7.24259 100.225 211.015 13.9653 116.248 -39.6202 155.564 -38.0875 59.9589 PRESSAVG: 547200 0.947007 -21.0984 41.7819 -21.0984 -9.38129 10.4065 41.7819 10.4065 5.44697 GPRESSAVG: 547200 1.34648 -20.6274 39.6172 -22.6523 -8.60357 10.8672 42.4552 9.83454 4.48231 TIMING: 547200 CPU: 1788.34, 0.00311005/step Wall: 1788.34, 0.00311005/step, 3.84679 hours remaining, 232.937500 MB of memory in use. ENERGY: 547200 3964.6200 20421.4635 14487.1383 245.2998 -203364.4552 2600.1973 0.0000 0.0000 51836.3370 -109809.3993 297.9041 -161645.7363 -109447.0401 299.3213 23.1657 56.3213 758414.8387 -0.9958 -0.9249 PRESSURE: 547400 76.117 124.671 78.0039 124.67 -221.475 75.8225 78.0033 75.8227 -384.6 GPRESSURE: 547400 96.428 122.851 50.9826 2.95461 -112.177 69.6386 163.924 -28.1867 -413.78 PRESSAVG: 547400 66.5051 -83.1397 28.668 -83.1397 -84.3154 8.60839 28.668 8.60846 -8.01863 GPRESSAVG: 547400 65.9662 -82.7789 29.4231 -82.3152 -84.0421 11.0698 28.9267 7.0465 -7.20212 TIMING: 547400 CPU: 1788.97, 0.00312746/step Wall: 1788.97, 0.00312745/step, 3.86814 hours remaining, 232.937500 MB of memory in use. ENERGY: 547400 3996.2675 20544.9188 14447.3942 242.4060 -203539.4296 2499.1550 0.0000 0.0000 51975.3906 -109833.8975 298.7033 -161809.2881 -109462.0848 299.3736 -176.6527 -143.1764 759616.9995 -8.6097 -8.4260 PRESSURE: 547600 107.501 94.2468 50.3962 94.2468 137.457 93.987 50.3961 93.9867 -108.981 GPRESSURE: 547600 50.7664 70.3229 41.3873 94.6151 194.922 127.967 126.862 151.466 -31.4039 PRESSAVG: 547600 -15.9633 -36.2245 48.2606 -36.2245 10.068 35.5715 48.2607 35.5715 -0.0294641 GPRESSAVG: 547600 -16.4053 -36.4789 49.6545 -36.35 9.63721 34.0605 49.3546 37.789 0.638901 TIMING: 547600 CPU: 1789.59, 0.00312024/step Wall: 1789.59, 0.00312024/step, 3.85905 hours remaining, 233.140625 MB of memory in use. ENERGY: 547600 4026.4179 20529.7240 14503.9470 256.5755 -203906.6671 2756.6154 0.0000 0.0000 52079.0689 -109754.3185 299.2991 -161833.3874 -109391.8745 299.4125 45.3259 71.4282 760872.8751 -1.9749 -2.0431 PRESSURE: 547800 112.21 -120.181 -77.101 -120.181 -19.8056 393.566 -77.101 393.565 365.618 GPRESSURE: 547800 166.577 -69.5324 -32.2819 -235.777 11.6831 453.904 -84.7433 465.62 335.749 PRESSAVG: 547800 -10.3711 -52.7783 60.8967 -52.7783 -23.6222 11.8408 60.8967 11.8408 -6.9307 GPRESSAVG: 547800 -8.36348 -51.0334 60.4204 -54.2935 -23.2215 11.3698 58.1351 10.4846 -9.22798 TIMING: 547800 CPU: 1790.22, 0.00313691/step Wall: 1790.22, 0.00313691/step, 3.87948 hours remaining, 233.140625 MB of memory in use. ENERGY: 547800 3955.8162 20677.9799 14464.7341 240.6555 -204001.2832 2857.3923 0.0000 0.0000 52001.2109 -109803.4943 298.8517 -161804.7051 -109441.3556 299.1894 152.6740 171.3363 760161.2449 -13.6413 -13.6043 PRESSURE: 548000 93.8951 -42.9773 284.923 -42.9776 -126.644 -3.47157 284.923 -3.47108 -169.583 GPRESSURE: 548000 66.7984 20.857 385.654 0.612284 -78.6416 4.54646 216.369 -13.5735 -108.753 PRESSAVG: 548000 59.7879 -53.1269 -1.19546 -53.1269 -18.1241 6.97942 -1.19549 6.97942 -13.5006 GPRESSAVG: 548000 57.3159 -53.6469 -0.921262 -52.5679 -17.8825 7.18618 1.39898 6.78427 -11.3994 TIMING: 548000 CPU: 1790.84, 0.00312014/step Wall: 1790.84, 0.00312014/step, 3.85857 hours remaining, 233.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 4016.9409 20658.1241 14441.8224 237.4979 -203804.2697 2697.5593 0.0000 0.0000 51842.6276 -109909.6974 297.9403 -161752.3250 -109545.7517 299.1726 -67.4437 -40.1989 760627.0944 9.3878 9.3447 PRESSURE: 548200 -256.755 -34.0299 -107.221 -34.0295 -203.475 -185.961 -107.22 -185.961 -504.776 GPRESSURE: 548200 -164.714 -15.214 -40.8552 -60.6089 -270.506 -173.855 -138.333 -235.27 -444.924 PRESSAVG: 548200 89.9019 -2.18935 -9.74396 -2.18931 -46.2877 4.23793 -9.74401 4.23791 -5.85705 GPRESSAVG: 548200 90.932 -1.97164 -7.03601 -3.12799 -47.0337 3.31899 -11.853 5.50594 -6.99568 TIMING: 548200 CPU: 1791.46, 0.00311455/step Wall: 1791.46, 0.00311455/step, 3.85148 hours remaining, 233.140625 MB of memory in use. ENERGY: 548200 4018.4877 20604.6906 14427.5827 214.5769 -203260.1377 2303.5480 0.0000 0.0000 51857.9275 -109833.3243 298.0282 -161691.2519 -109477.8398 298.8556 -321.6689 -293.3815 761218.9683 12.5857 12.3009 LDB: ============= START OF LOAD BALANCING ============== 1803.88 LDB: ============== END OF LOAD BALANCING =============== 1803.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1803.88 LDB: ============= START OF LOAD BALANCING ============== 1804.19 LDB: Largest compute 7077 load 0.034878 is 17.9% of average load 0.195226 LDB: Average compute 0.004393 is 2.3% of average load 0.195226 LDB: TIME 1804.2 LOAD: AVG 0.195226 MAX 0.217088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.875 MB LDB: TIME 1804.2 LOAD: AVG 0.195226 MAX 0.217088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.875 MB LDB: TIME 1804.2 LOAD: AVG 0.195226 MAX 0.217088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.875 MB LDB: ============== END OF LOAD BALANCING =============== 1804.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1804.21 PRESSURE: 548400 -172.348 -120.577 -81.2601 -120.578 -621.029 -113.117 -81.26 -113.116 109.472 GPRESSURE: 548400 -58.5367 -15.5107 -108.697 -102.991 -547.082 -38.5875 -37.1086 -133.109 22.4733 PRESSAVG: 548400 50.2651 -11.1477 34.1845 -11.1477 -30.7706 -4.14509 34.1845 -4.1451 -8.7962 GPRESSAVG: 548400 51.2582 -13.4418 33.9251 -10.0634 -30.2728 -3.90867 34.7542 -5.32239 -9.9663 TIMING: 548400 CPU: 1792.1, 0.00317887/step Wall: 1792.1, 0.00317887/step, 3.93085 hours remaining, 232.609375 MB of memory in use. ENERGY: 548400 3924.4224 20461.0516 14470.0168 246.5146 -203782.4862 2518.0288 0.0000 0.0000 52272.4995 -109889.9526 300.4108 -162162.4520 -109509.7426 298.9987 -227.9683 -194.3819 760836.1333 3.5661 3.6730 PRESSURE: 548600 -207.172 -30.8435 132.302 -30.8431 -249.362 -16.2123 132.301 -16.2124 414.642 GPRESSURE: 548600 -176.59 -122.457 162.709 36.5117 -215.823 -50.7355 160.573 -151.326 428.824 PRESSAVG: 548600 8.2048 -7.38571 -30.178 -7.38572 -25.1638 -22.0388 -30.178 -22.0388 -5.87806 GPRESSAVG: 548600 7.91549 -4.61703 -31.6751 -10.5497 -25.6848 -21.8403 -30.1087 -23.4466 -5.4007 TIMING: 548600 CPU: 1792.73, 0.00313745/step Wall: 1792.73, 0.00313745/step, 3.87946 hours remaining, 232.609375 MB of memory in use. ENERGY: 548600 3985.5166 20520.3842 14508.2767 248.6604 -203298.5349 2344.7269 0.0000 0.0000 51842.8727 -109848.0972 297.9417 -161690.9699 -109488.0988 299.3094 -13.9638 12.1371 759403.8520 -7.6124 -7.7233 PRESSURE: 548800 1.86509 55.6493 123.074 55.6493 -384.786 71.9058 123.074 71.9068 64.4969 GPRESSURE: 548800 35.7877 61.3087 75.5673 75.0675 -322.822 67.7812 21.7388 261.825 64.2917 PRESSAVG: 548800 19.7433 -31.1962 -33.2342 -31.1963 -65.1774 31.0529 -33.2342 31.0529 -2.50744 GPRESSAVG: 548800 19.7458 -28.103 -33.1988 -29.1168 -64.5458 29.7749 -32.7037 34.1837 -3.49726 TIMING: 548800 CPU: 1793.35, 0.00311483/step Wall: 1793.35, 0.00311483/step, 3.85132 hours remaining, 232.609375 MB of memory in use. ENERGY: 548800 3940.8446 20667.4570 14422.6142 245.0653 -203825.5885 2586.2815 0.0000 0.0000 52058.9113 -109904.4146 299.1833 -161963.3259 -109549.0591 299.0933 -106.1412 -74.2476 759514.9214 -15.9805 -16.0991 PRESSURE: 549000 -109.091 12.2115 166.673 12.2116 46.4049 1.25147 166.673 1.25306 -219.405 GPRESSURE: 549000 -38.956 -8.39554 216.106 17.7566 6.59723 9.30825 135.806 81.1609 -173.505 PRESSAVG: 549000 17.0477 19.4115 6.08148 19.4115 -13.4029 34.4107 6.08152 34.4106 -0.751411 GPRESSAVG: 549000 17.2659 16.1648 6.25129 21.2035 -14.7013 36.3964 4.11942 33.8267 -0.143057 TIMING: 549000 CPU: 1793.97, 0.00310731/step Wall: 1793.97, 0.00310731/step, 3.84185 hours remaining, 232.687500 MB of memory in use. ENERGY: 549000 3941.4028 20698.5674 14415.4626 235.9607 -204114.7693 2806.3049 0.0000 0.0000 52102.8416 -109914.2293 299.4357 -162017.0709 -109558.3582 299.2231 -94.0304 -68.6211 759711.1090 0.9645 0.8072 PRESSURE: 549200 98.7323 363.275 -98.4433 363.275 -277.666 124.383 -98.4433 124.384 154.752 GPRESSURE: 549200 46.9261 394.442 -103.875 305.296 -116.614 132.125 -17.6417 66.5989 141.266 PRESSAVG: 549200 12.867 -37.5643 11.7333 -37.5643 15.007 14.7573 11.7333 14.7574 -12.0572 GPRESSAVG: 549200 12.8085 -40.5674 11.0154 -38.0499 14.68 12.8326 12.0176 16.1292 -11.9465 TIMING: 549200 CPU: 1794.59, 0.00310914/step Wall: 1794.59, 0.00310914/step, 3.84393 hours remaining, 232.687500 MB of memory in use. ENERGY: 549200 4003.5706 20542.7146 14480.4454 248.2498 -203961.5507 2718.0895 0.0000 0.0000 52054.7208 -109913.7601 299.1592 -161968.4809 -109553.7791 299.0915 -8.0607 23.8594 760595.3596 5.2723 5.1807 PRESSURE: 549400 253.828 159.207 19.6906 159.207 65.7337 -101.473 19.6911 -101.473 385.06 GPRESSURE: 549400 300.355 118.263 75.6939 265.206 159.85 -28.0219 26.1305 -24.7714 311.131 PRESSAVG: 549400 26.2046 1.77836 -2.93769 1.7784 39.2924 -1.02217 -2.9377 -1.02213 10.327 GPRESSAVG: 549400 26.2769 2.62697 -2.36078 3.06725 40.6695 0.610291 -1.30631 -1.78257 8.56446 TIMING: 549400 CPU: 1795.22, 0.00311141/step Wall: 1795.22, 0.00311141/step, 3.84657 hours remaining, 232.687500 MB of memory in use. ENERGY: 549400 3983.1942 20412.3077 14495.7842 256.8650 -203841.4454 2789.7835 0.0000 0.0000 52197.1472 -109706.3637 299.9777 -161903.5109 -109343.3303 299.0200 234.8742 257.1118 759541.8409 25.2746 25.1703 PRESSURE: 549600 -205.808 69.2409 207.737 69.2418 -164.574 -111.485 207.736 -111.485 130.631 GPRESSURE: 549600 -133.596 -33.7955 97.3912 115.806 -157.409 -133.396 88.1095 124.928 134.701 PRESSAVG: 549600 -17.2721 17.4579 11.5886 17.4578 28.4839 7.6257 11.5886 7.6258 9.57889 GPRESSAVG: 549600 -18.0168 18.5161 11.4518 15.5432 27.6634 6.95733 10.1105 6.17063 11.4056 TIMING: 549600 CPU: 1795.84, 0.0031073/step Wall: 1795.84, 0.0031073/step, 3.84132 hours remaining, 232.687500 MB of memory in use. ENERGY: 549600 4032.2252 20518.0019 14457.8992 244.7289 -203747.7441 2528.5364 0.0000 0.0000 52362.9612 -109603.3913 300.9307 -161966.3525 -109237.7375 299.5092 -79.9171 -52.1015 759785.4756 6.9302 7.0174 PRESSURE: 549800 39.5502 239.438 205.278 239.438 -181.501 -85.9105 205.279 -85.9103 9.55912 GPRESSURE: 549800 51.3557 224.781 175.822 178.388 -115.315 -112.906 207.223 4.59855 26.9183 PRESSAVG: 549800 -32.7079 22.307 10.4777 22.3071 -25.5553 -14.1067 10.4777 -14.1068 3.80949 GPRESSAVG: 549800 -31.36 22.5858 10.1745 23.1934 -26.1006 -14.4342 10.9442 -12.3556 3.23062 TIMING: 549800 CPU: 1796.46, 0.00310847/step Wall: 1796.46, 0.00310847/step, 3.84259 hours remaining, 232.687500 MB of memory in use. ENERGY: 549800 4048.6959 20729.4715 14426.8344 233.3243 -203800.7504 2598.7291 0.0000 0.0000 52103.4680 -109660.2273 299.4393 -161763.6953 -109300.3893 299.5682 -44.1306 -12.3471 760019.8686 -18.1512 -18.0767 PRESSURE: 550000 216.708 -245.913 120.165 -245.912 -163.158 100.166 120.165 100.166 -123.048 GPRESSURE: 550000 187.348 -168.887 44.4245 -221.202 -79.4664 82.3886 111.909 67.2274 -95.941 PRESSAVG: 550000 9.81281 -25.7251 -8.27837 -25.7251 8.66468 1.58627 -8.27834 1.58627 29.4077 GPRESSAVG: 550000 8.2428 -24.3276 -8.05364 -26.6809 9.42088 1.46517 -9.39837 1.95641 30.0002 TIMING: 550000 CPU: 1797.08, 0.00311998/step Wall: 1797.08, 0.00311998/step, 3.85664 hours remaining, 232.687500 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: 550000 4084.7813 20537.2495 14421.8619 244.7448 -203535.6730 2317.3268 0.0000 0.0000 52114.4711 -109815.2377 299.5026 -161929.7088 -109441.2178 299.5657 -23.1658 3.9800 760558.2497 15.9617 15.8880 PRESSURE: 550200 172.73 -62.3935 52.8302 -62.3931 -95.4761 187.979 52.8305 187.979 -124.176 GPRESSURE: 550200 133.353 -154.763 71.2391 -6.58023 -48.3948 200.074 135.222 154.631 -55.4222 PRESSAVG: 550200 43.8874 28.3896 33.2571 28.3896 -6.63457 12.0556 33.2571 12.0556 8.16087 GPRESSAVG: 550200 44.4841 26.5084 32.7434 28.639 -6.4574 13.0537 33.6527 9.80236 7.45864 TIMING: 550200 CPU: 1797.7, 0.00310429/step Wall: 1797.7, 0.00310429/step, 3.83708 hours remaining, 232.687500 MB of memory in use. ENERGY: 550200 3983.9595 20653.9188 14449.7845 234.5108 -203685.0031 2595.7311 0.0000 0.0000 51846.9965 -109920.1019 297.9654 -161767.0984 -109560.1632 299.1945 -15.6406 9.8453 760145.1874 15.1379 15.1618 PRESSURE: 550400 -487.902 -67.8394 208.359 -67.8386 -284.506 132.27 208.359 132.27 12.0162 GPRESSURE: 550400 -416.149 9.89473 201.079 -104.477 -265.149 140.052 90.3114 67.4108 -12.3573 PRESSAVG: 550400 -15.1305 20.5231 56.3035 20.523 -10.6686 16.6105 56.3035 16.6105 -23.2301 GPRESSAVG: 550400 -14.692 20.7113 56.5272 19.8258 -10.705 15.2833 57.2803 17.6391 -23.6265 TIMING: 550400 CPU: 1798.32, 0.00309967/step Wall: 1798.32, 0.00309967/step, 3.83119 hours remaining, 232.687500 MB of memory in use. ENERGY: 550400 3979.1058 20597.3879 14392.4682 263.1758 -203773.0393 2595.3045 0.0000 0.0000 52089.0583 -109856.5388 299.3565 -161945.5971 -109489.2761 298.9340 -253.4638 -231.2182 761340.8761 -16.3430 -16.3411 PRESSURE: 550600 -51.0562 73.1238 74.7228 73.1245 -55.419 -9.49494 74.7228 -9.49593 225.211 GPRESSURE: 550600 -30.2484 3.70417 -4.80166 112.783 47.9824 -0.82442 73.0051 40.2014 170.184 PRESSAVG: 550600 -27.0449 16.3514 1.69329 16.3515 21.679 31.6273 1.69326 31.6272 8.02619 GPRESSAVG: 550600 -28.3582 15.7269 0.989501 17.9678 21.5851 33.3668 1.6686 32.4655 9.092 TIMING: 550600 CPU: 1798.94, 0.00310108/step Wall: 1798.94, 0.00310108/step, 3.83277 hours remaining, 232.687500 MB of memory in use. ENERGY: 550600 3956.8698 20504.5855 14393.3297 240.6901 -203996.0329 2541.0838 0.0000 0.0000 52366.9033 -109992.5706 300.9533 -162359.4739 -109631.3305 298.7433 39.5785 62.6392 760394.3744 0.8867 0.7730 PRESSURE: 550800 78.2609 26.8466 -198.645 26.8459 45.2489 -61.7058 -198.646 -61.7054 -259.116 GPRESSURE: 550800 155.841 80.2367 -209.851 83.2316 75.8562 -94.9357 -145.334 -25.6396 -260.22 PRESSAVG: 550800 -32.1387 -31.8442 32.5193 -31.8442 55.7538 2.7828 32.5193 2.78284 -8.31851 GPRESSAVG: 550800 -31.9406 -31.1069 34.0257 -34.8006 56.1462 2.14558 31.1753 1.39646 -8.54484 TIMING: 550800 CPU: 1799.57, 0.00310626/step Wall: 1799.57, 0.00310626/step, 3.83899 hours remaining, 232.687500 MB of memory in use. ENERGY: 550800 4020.1225 20360.2052 14436.4141 248.0060 -203864.6322 2875.6888 0.0000 0.0000 51880.0888 -110044.1067 298.1556 -161924.1955 -109692.0955 298.2949 -45.2020 -9.5078 761462.2520 5.0989 5.2203 PRESSURE: 551000 -220.441 139.892 73.6303 139.892 -74.1942 -9.0626 73.6299 -9.06217 -160.645 GPRESSURE: 551000 -266.297 55.3609 19.3613 92.4362 -47.0368 6.04639 124.875 -84.2008 -52.1148 PRESSAVG: 551000 -15.9533 -48.9208 58.1755 -48.9208 40.8146 -32.1266 58.1755 -32.1266 6.02911 GPRESSAVG: 551000 -16.0607 -49.1445 57.2266 -47.4843 40.6977 -33.6095 60.3026 -30.5604 6.1267 TIMING: 551000 CPU: 1800.19, 0.00311924/step Wall: 1800.19, 0.00311924/step, 3.85486 hours remaining, 232.687500 MB of memory in use. ENERGY: 551000 3995.0717 20469.5331 14431.6729 251.1407 -203182.1447 2361.3833 0.0000 0.0000 51807.3896 -109865.9534 297.7378 -161673.3430 -109511.7057 298.2802 -151.7599 -121.8163 761611.5688 10.2968 10.2546 PRESSURE: 551200 74.5824 -121.852 -0.40347 -121.853 -47.5724 -63.065 -0.403494 -63.0647 0.826618 GPRESSURE: 551200 34.3598 -144.616 74.8268 -129.89 75.7462 -17.4125 -85.9102 -206.422 5.86746 PRESSAVG: 551200 30.9352 -37.1066 18.9895 -37.1066 2.0065 -30.0558 18.9894 -30.0558 -16.5658 GPRESSAVG: 551200 29.6013 -38.8217 18.7251 -38.1702 2.72862 -28.8476 17.343 -32.305 -16.0877 TIMING: 551200 CPU: 1800.82, 0.00313615/step Wall: 1800.82, 0.00313615/step, 3.87559 hours remaining, 232.687500 MB of memory in use. ENERGY: 551200 4024.4287 20509.7243 14468.3695 235.2516 -203853.7395 2787.1688 0.0000 0.0000 52004.4351 -109824.3615 298.8702 -161828.7966 -109472.2297 299.0356 9.2789 38.6578 760636.8033 5.4586 5.4141 PRESSURE: 551400 184.543 -59.5231 232.696 -59.5228 -75.7792 55.6644 232.696 55.6634 69.9736 GPRESSURE: 551400 195.453 -62.5734 83.7297 -9.93788 27.6093 108.035 251.754 -14.2975 29.8859 PRESSAVG: 551400 -5.9918 31.337 18.9061 31.3371 34.5315 8.15186 18.9061 8.15185 -4.88119 GPRESSAVG: 551400 -4.78923 31.8777 19.5331 32.1085 33.6538 7.71273 21.1968 9.09469 -5.09845 TIMING: 551400 CPU: 1801.44, 0.00311858/step Wall: 1801.44, 0.00311858/step, 3.8537 hours remaining, 232.687500 MB of memory in use. ENERGY: 551400 3871.0099 20663.4243 14418.7124 252.1137 -203306.5032 2327.8970 0.0000 0.0000 52066.8370 -109706.5090 299.2288 -161773.3459 -109335.0962 299.2731 59.5791 84.3162 759868.6201 7.8862 7.9221 PRESSURE: 551600 -253.106 -99.363 245.899 -99.3634 -282.322 96.9595 245.899 96.9588 -272.53 GPRESSURE: 551600 -294.395 -54.7873 271.276 -96.17 -181.882 147.057 142.063 115.915 -251.638 PRESSAVG: 551600 21.5285 -21.1689 38.8495 -21.1689 -33.4143 15.2217 38.8495 15.2216 -11.591 GPRESSAVG: 551600 22.1891 -21.2237 38.3276 -19.4881 -33.7818 14.6361 37.7083 17.8336 -12.7989 TIMING: 551600 CPU: 1802.06, 0.00311206/step Wall: 1802.06, 0.00311206/step, 3.84547 hours remaining, 232.687500 MB of memory in use. ENERGY: 551600 3995.3344 20627.9025 14418.0403 240.6594 -203277.4398 2242.5300 0.0000 0.0000 51976.5464 -109776.4268 298.7099 -161752.9732 -109425.7993 298.8154 -269.3194 -242.6383 762136.9094 -7.8256 -8.1305 PRESSURE: 551800 105.485 -97.2743 114.135 -97.2741 -38.9099 -27.4715 114.134 -27.4714 97.3609 GPRESSURE: 551800 92.4766 -181.016 70.0107 -121.659 15.0593 -9.48414 162.313 -22.4948 154.902 PRESSAVG: 551800 -50.2233 -52.2253 9.42925 -52.2253 49.4142 23.632 9.42928 23.632 18.3794 GPRESSAVG: 551800 -51.2441 -52.1052 9.57679 -52.4319 49.2523 23.7499 8.73136 21.9202 19.6349 TIMING: 551800 CPU: 1802.69, 0.00311654/step Wall: 1802.69, 0.00311654/step, 3.85083 hours remaining, 232.687500 MB of memory in use. ENERGY: 551800 3939.2153 20524.7644 14404.0641 250.7564 -203698.8268 2636.6849 0.0000 0.0000 52243.6497 -109699.6919 300.2450 -161943.3416 -109345.2848 299.1527 54.6454 87.4793 759984.6764 5.8567 5.8810 PRESSURE: 552000 -265.328 -20.0732 32.6149 -20.0741 -185.626 36.9553 32.615 36.9556 -160.179 GPRESSURE: 552000 -205.391 -44.1075 -57.6833 -146.179 -191.65 41.1161 77.2229 147.994 -131.848 PRESSAVG: 552000 -1.10712 -30.5834 23.4364 -30.5834 33.8962 39.7764 23.4364 39.7763 -27.008 GPRESSAVG: 552000 0.075263 -30.0336 22.1953 -32.1436 33.4114 39.4734 23.7877 41.1843 -27.6507 TIMING: 552000 CPU: 1803.31, 0.00311889/step Wall: 1803.31, 0.00311889/step, 3.85357 hours remaining, 232.687500 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: 552000 4022.4072 20394.7641 14437.3438 255.1312 -203525.8849 2394.6854 0.0000 0.0000 52020.9527 -110000.6005 298.9651 -162021.5533 -109640.8260 299.1148 -203.7110 -176.2964 761120.4132 1.9270 1.9453 PRESSURE: 552200 -297.312 163.806 -195.039 163.806 71.6043 99.4227 -195.039 99.422 -123.724 GPRESSURE: 552200 -203.136 176.278 -144.988 210.112 56.0084 61.0736 -134.806 130.309 -111.679 PRESSAVG: 552200 -16.717 -7.61591 -41.5987 -7.61599 34.6152 25.7029 -41.5987 25.7028 26.6391 GPRESSAVG: 552200 -18.0503 -9.57958 -39.9814 -5.75009 34.4922 27.4981 -40.5114 22.6807 27.3583 TIMING: 552200 CPU: 1803.94, 0.00312998/step Wall: 1803.94, 0.00312998/step, 3.86709 hours remaining, 232.687500 MB of memory in use. ENERGY: 552200 3964.8480 20575.9403 14426.1749 261.4344 -203521.9149 2574.4560 0.0000 0.0000 51929.4375 -109789.6238 298.4392 -161719.0613 -109434.1952 298.7730 -116.4774 -86.2688 761345.8178 14.8458 14.6001 LDB: ============= START OF LOAD BALANCING ============== 1816.35 LDB: ============== END OF LOAD BALANCING =============== 1816.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.36 LDB: ============= START OF LOAD BALANCING ============== 1816.67 LDB: Largest compute 7077 load 0.034047 is 17.6% of average load 0.193718 LDB: Average compute 0.004368 is 2.3% of average load 0.193718 LDB: TIME 1816.67 LOAD: AVG 0.193718 MAX 0.211752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.008 MB LDB: TIME 1816.67 LOAD: AVG 0.193718 MAX 0.211752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.008 MB LDB: TIME 1816.67 LOAD: AVG 0.193718 MAX 0.211752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.008 MB LDB: ============== END OF LOAD BALANCING =============== 1816.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.68 PRESSURE: 552400 -9.3297 -37.0684 -75.7581 -37.068 430.942 -116.764 -75.7588 -116.763 -14.4009 GPRESSURE: 552400 72.3449 121.635 -98.2765 -127.691 356.639 -79.7487 -11.4292 -70.3456 66.687 PRESSAVG: 552400 -11.5601 24.8339 -30.8882 24.8339 4.5364 1.0419 -30.8882 1.042 -15.154 GPRESSAVG: 552400 -10.6383 25.0161 -32.3936 24.7424 3.38771 -0.145761 -30.2293 2.89077 -15.5713 TIMING: 552400 CPU: 1804.58, 0.00319943/step Wall: 1804.58, 0.00319943/step, 3.95271 hours remaining, 230.746094 MB of memory in use. ENERGY: 552400 3970.8960 20533.0549 14458.7578 234.2989 -203561.1596 2732.6937 0.0000 0.0000 51825.3339 -109806.1243 297.8409 -161631.4582 -109437.2669 298.6800 135.7373 165.2236 760812.6903 -7.3926 -7.6073 PRESSURE: 552600 -103.841 175.945 119.671 175.944 -261.392 158.465 119.671 158.465 -221.328 GPRESSURE: 552600 -114.793 166.106 125.401 77.636 -145.325 178.759 34.8873 -40.6823 -227.969 PRESSAVG: 552600 23.3523 -2.0647 -62.2595 -2.06462 -12.277 1.48426 -62.2595 1.48423 8.94801 GPRESSAVG: 552600 23.7684 0.243996 -61.5855 -4.08559 -12.2206 2.70237 -64.1415 1.21577 8.51624 TIMING: 552600 CPU: 1805.2, 0.00313713/step Wall: 1805.2, 0.00313713/step, 3.87557 hours remaining, 230.746094 MB of memory in use. ENERGY: 552600 3987.4202 20294.5872 14395.7920 251.3301 -203253.6873 2274.1017 0.0000 0.0000 52007.0923 -110043.3639 298.8855 -162050.4562 -109669.6070 298.6057 -195.5204 -162.6954 762098.3766 6.6744 6.6880 PRESSURE: 552800 136.935 -188.361 -73.2231 -188.362 84.9392 -61.961 -73.2224 -61.9612 409.027 GPRESSURE: 552800 163.183 -121.56 -28.3353 -200.275 120.778 -60.4994 1.06631 -50.0804 428.314 PRESSAVG: 552800 -10.2635 -48.8121 -2.53364 -48.8121 7.17271 44.0493 -2.53367 44.0493 -13.2391 GPRESSAVG: 552800 -12.3105 -50.0739 -1.05426 -45.2007 8.52427 43.3133 -3.20755 40.658 -12.4485 TIMING: 552800 CPU: 1805.83, 0.00313224/step Wall: 1805.83, 0.00313224/step, 3.86937 hours remaining, 230.746094 MB of memory in use. ENERGY: 552800 3906.7304 20381.7175 14372.8662 247.8079 -203404.2474 2735.7533 0.0000 0.0000 51641.1114 -110118.2606 296.7822 -161759.3720 -109759.6794 297.7116 210.3001 237.4248 760848.4237 -5.4433 -5.4116 PRESSURE: 553000 28.3494 -182.794 -50.3588 -182.794 -34.8352 -193.506 -50.3587 -193.505 143.537 GPRESSURE: 553000 25.9212 -272.128 -69.1715 -230.665 50.7832 -111.595 -64.206 -141.944 155.846 PRESSAVG: 553000 35.4812 -50.8 -25.569 -50.8001 -24.9635 33.9447 -25.569 33.9446 13.6667 GPRESSAVG: 553000 35.6041 -50.2258 -27.8025 -53.5813 -24.278 35.6382 -24.5712 36.5214 12.8341 TIMING: 553000 CPU: 1806.45, 0.00311908/step Wall: 1806.45, 0.00311908/step, 3.85293 hours remaining, 230.746094 MB of memory in use. ENERGY: 553000 4045.5506 20371.3765 14387.6684 257.1749 -203448.3767 2624.2130 0.0000 0.0000 51765.5786 -109996.8147 297.4975 -161762.3933 -109628.7766 298.3285 45.6839 77.5166 759849.2593 8.0615 8.0534 PRESSURE: 553200 -388.158 108.361 99.0792 108.361 -138.968 17.8946 99.0792 17.8961 -414.092 GPRESSURE: 553200 -232.815 28.8833 -21.6163 116.847 -261.303 5.08052 3.32461 -91.2542 -370.026 PRESSAVG: 553200 12.0386 -14.2082 7.13795 -14.2082 -9.40367 6.55707 7.13792 6.55715 15.7355 GPRESSAVG: 553200 13.5394 -11.9513 7.05972 -16.3362 -11.1401 5.04094 7.30396 6.63164 15.7129 TIMING: 553200 CPU: 1807.08, 0.00311876/step Wall: 1807.08, 0.00311876/step, 3.85236 hours remaining, 230.906250 MB of memory in use. ENERGY: 553200 3925.8346 20318.9306 14452.7254 238.2611 -203277.2148 2314.5734 0.0000 0.0000 52252.3698 -109774.5199 300.2951 -162026.8897 -109403.2840 298.8812 -313.7392 -288.0481 762336.1084 6.1235 6.0374 PRESSURE: 553400 62.4983 7.25827 154.012 7.25876 -299.087 -132.388 154.011 -132.387 -276.06 GPRESSURE: 553400 131.036 -33.4282 57.1297 61.9703 -352.029 -94.3784 210.679 -117.08 -211.797 PRESSAVG: 553400 58.6021 -43.317 1.24144 -43.317 -57.1808 2.21055 1.2414 2.2106 18.542 GPRESSAVG: 553400 58.9025 -45.6365 3.25253 -41.663 -56.792 0.767378 1.43872 4.89443 17.8609 TIMING: 553400 CPU: 1807.7, 0.00311391/step Wall: 1807.7, 0.00311391/step, 3.8462 hours remaining, 230.941406 MB of memory in use. ENERGY: 553400 4023.6523 20496.8452 14481.9241 244.7202 -203279.8773 2496.7381 0.0000 0.0000 51950.1050 -109585.8924 298.5580 -161535.9974 -109229.1418 299.2065 -170.8829 -144.2632 762714.4298 6.6544 6.6572 PRESSURE: 553600 201.32 -31.0784 -75.1231 -31.0782 32.0656 -231.775 -75.1233 -231.775 324.543 GPRESSURE: 553600 222.303 97.9103 -75.2725 -3.97998 83.6026 -257.979 -123.743 -150.756 326.379 PRESSAVG: 553600 22.2469 -37.1979 -4.97773 -37.198 -59.9993 -4.31385 -4.97777 -4.31386 13.2869 GPRESSAVG: 553600 20.0743 -36.3973 -6.41755 -35.8538 -59.7537 -3.72235 -3.94097 -5.32527 14.6454 TIMING: 553600 CPU: 1808.33, 0.00313979/step Wall: 1808.33, 0.00313979/step, 3.87799 hours remaining, 230.941406 MB of memory in use. ENERGY: 553600 4000.0312 20508.3152 14447.3684 242.3798 -203295.4724 2521.7329 0.0000 0.0000 51853.8002 -109721.8447 298.0045 -161575.6449 -109365.7783 299.2934 185.9764 210.7616 760975.5193 -8.1552 -8.3447 PRESSURE: 553800 -142.628 71.7772 157.624 71.7771 -135.827 172.84 157.625 172.84 -82.468 GPRESSURE: 553800 -147.091 -13.3726 94.2261 82.5507 -28.3336 154.756 137.879 131.94 -118.535 PRESSAVG: 553800 -10.3131 -17.1704 33.6095 -17.1705 7.48814 34.026 33.6095 34.026 13.63 GPRESSAVG: 553800 -9.36185 -16.2719 33.7796 -17.2578 6.84803 35.5397 32.5073 31.9414 12.9344 TIMING: 553800 CPU: 1808.96, 0.00314416/step Wall: 1808.96, 0.00314416/step, 3.88321 hours remaining, 230.941406 MB of memory in use. ENERGY: 553800 4007.8190 20298.7760 14458.6610 259.9033 -203210.4083 2596.7210 0.0000 0.0000 52048.1207 -109540.4072 299.1213 -161588.5279 -109175.6129 298.9045 -120.3076 -97.9866 761991.0778 3.6017 3.4735 PRESSURE: 554000 -214.421 153.23 44.7039 153.23 -90.2024 218.536 44.7026 218.537 -500.596 GPRESSURE: 554000 -140.98 158.319 97.2876 162.794 -63.4698 116.645 41.4999 73.0894 -524.974 PRESSAVG: 554000 -2.25015 -28.9723 -22.13 -28.9723 12.2984 20.8209 -22.1301 20.8209 2.45022 GPRESSAVG: 554000 -2.96726 -30.1045 -19.757 -29.6153 13.0601 19.0449 -23.2876 20.272 2.78753 TIMING: 554000 CPU: 1809.59, 0.00315815/step Wall: 1809.59, 0.00315815/step, 3.90032 hours remaining, 230.941406 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: 554000 4042.3838 20465.9779 14428.5808 233.7277 -202803.3943 2046.9605 0.0000 0.0000 52115.0558 -109470.7078 299.5059 -161585.7636 -109114.1108 299.0734 -268.4063 -243.1414 760240.7304 4.1662 4.2935 PRESSURE: 554200 -67.3558 15.528 -28.6662 15.5281 227.656 23.828 -28.6664 23.8265 -14.3975 GPRESSURE: 554200 10.3667 -11.1811 -131.269 82.8532 184.826 2.85133 -35.8288 41.7852 39.89 PRESSAVG: 554200 21.1457 -17.8061 -31.3035 -17.8061 -10.4216 -16.4447 -31.3035 -16.4446 -14.6868 GPRESSAVG: 554200 20.5598 -18.7363 -34.7906 -15.8907 -9.32299 -15.6941 -30.2753 -14.2076 -15.1961 TIMING: 554200 CPU: 1810.22, 0.00314317/step Wall: 1810.22, 0.00314317/step, 3.88164 hours remaining, 230.941406 MB of memory in use. ENERGY: 554200 4037.6018 20367.3022 14452.4616 250.5669 -203167.3571 2573.0074 0.0000 0.0000 51982.6669 -109503.7504 298.7451 -161486.4172 -109137.8895 299.1878 48.6342 78.3610 760806.6964 -1.3209 -1.3198 PRESSURE: 554400 -180.14 -132.552 5.46127 -132.552 -222.874 11.5302 5.46144 11.5292 -187.447 GPRESSURE: 554400 -190.725 -74.4324 -57.3171 -120.013 -144.733 -30.644 49.2312 -23.0761 -181.254 PRESSAVG: 554400 66.1411 -16.0557 3.61415 -16.0557 -60.603 22.1118 3.61414 22.1117 10.2789 GPRESSAVG: 554400 65.9568 -15.342 3.92945 -15.9039 -60.4431 24.1847 5.48044 22.713 10.1708 TIMING: 554400 CPU: 1810.84, 0.00313125/step Wall: 1810.84, 0.00313125/step, 3.86674 hours remaining, 230.941406 MB of memory in use. ENERGY: 554400 4025.3358 20444.4877 14364.6024 259.1487 -202449.8404 2115.6924 0.0000 0.0000 51829.4866 -109411.0868 297.8648 -161240.5734 -109047.5481 299.0611 -196.8204 -172.2374 762552.1622 5.2723 5.2282 PRESSURE: 554600 -296.293 -82.2842 -153.329 -82.2836 -355.438 -114.677 -153.329 -114.677 -119.791 GPRESSURE: 554600 -148.938 -65.393 -66.79 -51.0447 -366.508 -167.76 -179.346 -141.679 -189.016 PRESSAVG: 554600 24.8936 -52.8783 -8.33372 -52.8783 9.01613 -44.543 -8.33367 -44.543 8.27054 GPRESSAVG: 554600 25.425 -54.3457 -7.73723 -54.8813 8.7374 -46.2425 -9.66486 -45.7938 7.22058 TIMING: 554600 CPU: 1811.47, 0.00313992/step Wall: 1811.47, 0.00313992/step, 3.87728 hours remaining, 230.941406 MB of memory in use. ENERGY: 554600 3955.4989 20549.1546 14435.0443 233.1645 -202705.4845 2118.3594 0.0000 0.0000 52097.3951 -109316.8676 299.4044 -161414.2627 -108963.5655 299.6319 -257.1740 -234.8205 763026.3216 14.0601 13.7943 PRESSURE: 554800 -296.887 117.805 -162.357 117.804 -329.169 125.087 -162.356 125.087 -291.576 GPRESSURE: 554800 -244.056 137.185 -93.4992 80.0616 -293.552 117.615 -193.436 125.517 -320.47 PRESSAVG: 554800 57.9202 -5.59493 -6.33645 -5.595 -32.5909 -8.16755 -6.33649 -8.16754 -6.86235 GPRESSAVG: 554800 58.2976 -4.51861 -5.64337 -4.61918 -33.1909 -7.14991 -6.36176 -7.52837 -5.90424 TIMING: 554800 CPU: 1812.1, 0.00312168/step Wall: 1812.1, 0.00312168/step, 3.85459 hours remaining, 230.941406 MB of memory in use. ENERGY: 554800 4046.4612 20502.8065 14432.4497 246.2452 -203294.7477 2529.5949 0.0000 0.0000 52044.7197 -109492.4705 299.1017 -161537.1902 -109131.7242 299.8541 -305.8775 -286.0263 762471.3261 6.1557 6.4008 PRESSURE: 555000 -156.309 -28.3015 383.172 -28.3019 215.997 -171.684 383.171 -171.685 546.692 GPRESSURE: 555000 14.2996 98.0667 399.72 -51.8815 147.003 -154.879 293.168 -114.663 525.349 PRESSAVG: 555000 -11.6794 -71.4514 9.08359 -71.4514 21.9286 -6.26188 9.08358 -6.2619 29.5161 GPRESSAVG: 555000 -11.2593 -72.2007 7.47458 -70.2932 20.7218 -7.14105 10.2 -5.09595 29.8441 TIMING: 555000 CPU: 1812.72, 0.00314147/step Wall: 1812.72, 0.00314147/step, 3.87884 hours remaining, 230.941406 MB of memory in use. ENERGY: 555000 3958.8301 20590.9575 14439.7727 243.8397 -203471.2997 2881.8604 0.0000 0.0000 51843.1466 -109512.8926 297.9433 -161356.0392 -109154.2129 299.1803 202.1265 228.8839 761275.2302 13.2551 13.1022 PRESSURE: 555200 227.68 140.973 86.3374 140.972 -76.792 166.035 86.3369 166.034 -95.1421 GPRESSURE: 555200 276.581 158.121 100.679 95.147 -51.9556 137.671 6.4119 45.8605 -86.6954 PRESSAVG: 555200 57.4047 -46.924 35.8231 -46.924 -10.814 -8.73844 35.8232 -8.73845 16.2252 GPRESSAVG: 555200 56.7777 -46.3912 37.7816 -49.3063 -10.1111 -10.2882 35.0993 -10.2151 15.8865 TIMING: 555200 CPU: 1813.35, 0.0031423/step Wall: 1813.35, 0.0031423/step, 3.87969 hours remaining, 230.941406 MB of memory in use. ENERGY: 555200 3998.9866 20578.4820 14413.5223 219.2385 -203421.7563 2467.3510 0.0000 0.0000 52162.0630 -109582.1129 299.7761 -161744.1759 -109217.9554 299.5642 18.5820 45.9767 760476.4539 20.9386 20.8510 PRESSURE: 555400 64.2205 -68.8948 -45.6279 -68.8949 -219.749 22.9749 -45.6273 22.9769 217.925 GPRESSURE: 555400 99.698 5.29746 -55.9418 -95.8162 -216.867 -10.5518 51.7958 198.369 257.888 PRESSAVG: 555400 -4.38147 -50.8597 22.4174 -50.8597 -38.9131 31.2186 22.4175 31.2186 -6.18289 GPRESSAVG: 555400 -4.43089 -49.3079 21.3571 -51.0763 -37.533 32.8913 22.1636 31.1933 -7.53059 TIMING: 555400 CPU: 1813.98, 0.00311938/step Wall: 1813.98, 0.00311938/step, 3.85122 hours remaining, 230.941406 MB of memory in use. ENERGY: 555400 3971.3726 20448.7733 14418.9235 253.4854 -203793.3946 2709.2248 0.0000 0.0000 52271.3277 -109720.2873 300.4040 -161991.6150 -109358.6974 299.3024 20.7989 46.9062 761594.2180 -16.4925 -16.4981 PRESSURE: 555600 -33.4147 92.5421 -226.025 92.5424 -234.912 -273.538 -226.025 -273.538 -77.6051 GPRESSURE: 555600 -84.7974 74.7251 -223.195 -38.5228 -150.922 -346.322 -138.939 -95.5029 -22.8231 PRESSAVG: 555600 45.2133 -31.5683 -37.1975 -31.5682 -81.9164 -1.21535 -37.1974 -1.21537 9.00006 GPRESSAVG: 555600 46.0482 -32.3325 -36.0331 -31.693 -83.5587 -0.329909 -37.2983 -0.0243719 9.79441 TIMING: 555600 CPU: 1814.6, 0.00313546/step Wall: 1814.6, 0.00313546/step, 3.8709 hours remaining, 230.941406 MB of memory in use. ENERGY: 555600 3963.5777 20627.3473 14481.0930 239.0580 -203734.8676 2679.7718 0.0000 0.0000 51943.8033 -109800.2166 298.5218 -161744.0198 -109443.9784 299.1593 -115.3106 -86.1810 761627.0370 -9.2343 -9.2387 PRESSURE: 555800 290.882 65.5639 98.0294 65.5651 -56.9725 -120.737 98.0283 -120.737 97.8686 GPRESSURE: 555800 304.673 51.8955 3.14803 -81.5325 4.9422 -70.4216 76.0998 -185.72 116.098 PRESSAVG: 555800 59.9647 -65.2414 -8.64892 -65.2413 -41.1297 -2.71974 -8.64887 -2.71962 -3.8399 GPRESSAVG: 555800 59.7489 -63.5242 -11.2519 -65.1854 -40.968 -3.98598 -8.56744 -4.16766 -3.89318 TIMING: 555800 CPU: 1815.23, 0.00313197/step Wall: 1815.23, 0.00313197/step, 3.86642 hours remaining, 230.941406 MB of memory in use. ENERGY: 555800 3947.0448 20386.5410 14518.0241 260.6671 -203747.9112 2711.5856 0.0000 0.0000 51908.3513 -110015.6973 298.3180 -161924.0487 -109652.2121 298.5278 110.5926 141.9045 760603.0412 4.9984 4.9626 PRESSURE: 556000 -341.944 106.801 -126.699 106.801 128.909 107.028 -126.7 107.029 308.555 GPRESSURE: 556000 -252.088 -46.6876 -57.0324 200.13 113.713 156.787 -120.907 161.495 300.241 PRESSAVG: 556000 82.9651 -73.1948 -35.825 -73.1948 -104.824 41.6863 -35.8251 41.6862 -6.1455 GPRESSAVG: 556000 82.2021 -73.8468 -32.5417 -71.0203 -104.368 42.638 -38.567 41.3475 -5.9185 TIMING: 556000 CPU: 1815.86, 0.00313529/step Wall: 1815.86, 0.00313529/step, 3.87034 hours remaining, 230.941406 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: 556000 4034.7735 20461.9294 14480.2025 256.5939 -203833.1140 2658.1090 0.0000 0.0000 51965.3206 -109976.1852 298.6454 -161941.5058 -109624.7455 298.6274 31.8400 53.9553 761223.1042 -9.3347 -9.3613 PRESSURE: 556200 257.491 -67.0685 112.211 -67.0692 -108.298 2.33588 112.211 2.33552 275.894 GPRESSURE: 556200 345.847 -35.4576 68.727 -66.647 -132.612 70.9281 113.671 -34.8455 284.723 PRESSAVG: 556200 65.7485 -46.2399 -43.4447 -46.2399 -40.1458 37.8242 -43.4447 37.8241 23.989 GPRESSAVG: 556200 66.9859 -47.2725 -44.3759 -47.948 -41.5792 37.3911 -42.838 40.6151 24.1661 TIMING: 556200 CPU: 1816.49, 0.0031456/step Wall: 1816.49, 0.0031456/step, 3.88289 hours remaining, 230.941406 MB of memory in use. ENERGY: 556200 3943.5836 20601.3393 14498.6774 257.2193 -203740.2535 2509.9084 0.0000 0.0000 51982.6254 -109946.9000 298.7449 -161929.5254 -109576.9018 298.4779 141.6957 165.9860 760873.8509 16.5306 16.5242 LDB: ============= START OF LOAD BALANCING ============== 1828.91 LDB: ============== END OF LOAD BALANCING =============== 1828.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1828.91 LDB: ============= START OF LOAD BALANCING ============== 1829.22 LDB: Largest compute 7048 load 0.032726 is 16.9% of average load 0.193692 LDB: Average compute 0.004355 is 2.2% of average load 0.193692 LDB: TIME 1829.22 LOAD: AVG 0.193692 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.996 MB LDB: TIME 1829.22 LOAD: AVG 0.193692 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.996 MB LDB: TIME 1829.22 LOAD: AVG 0.193692 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.996 MB LDB: ============== END OF LOAD BALANCING =============== 1829.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1829.23 PRESSURE: 556400 -253.143 -64.1645 -260.322 -64.165 -65.514 51.4658 -260.321 51.4654 -108.75 GPRESSURE: 556400 -194.86 -54.5807 -224.732 -79.5932 -9.80817 102.311 -229.88 -42.6831 -153.64 PRESSAVG: 556400 33.3591 -48.5825 -17.264 -48.5824 -52.847 -12.3439 -17.264 -12.344 9.68584 GPRESSAVG: 556400 33.1406 -48.0996 -17.9065 -48.8964 -52.4864 -10.4052 -16.027 -15.3897 9.14643 TIMING: 556400 CPU: 1817.12, 0.00319028/step Wall: 1817.12, 0.00319028/step, 3.93787 hours remaining, 232.355469 MB of memory in use. ENERGY: 556400 4010.9484 20514.0027 14494.5528 246.7699 -203347.7215 2312.5883 0.0000 0.0000 51836.7844 -109932.0749 297.9067 -161768.8593 -109572.9606 298.9460 -142.4693 -119.4361 761768.8184 -3.2674 -3.3998 PRESSURE: 556600 -266.29 -69.1161 80.5544 -69.1169 -296.323 100.18 80.5547 100.18 193.918 GPRESSURE: 556600 -241.887 -66.4262 164.898 -76.9153 -235.036 62.2248 41.6362 158.437 187.787 PRESSAVG: 556600 16.3767 -47.7868 -28.3536 -47.7868 -4.85146 -3.25396 -28.3536 -3.25398 13.8495 GPRESSAVG: 556600 15.8469 -47.7263 -28.6099 -45.0899 -3.08656 -6.99744 -27.5946 -2.7068 12.8387 TIMING: 556600 CPU: 1817.75, 0.00312156/step Wall: 1817.75, 0.00312156/step, 3.85287 hours remaining, 232.355469 MB of memory in use. ENERGY: 556600 4015.7184 20551.2517 14459.0431 251.8243 -203532.6096 2369.7626 0.0000 0.0000 51766.9587 -110118.0508 297.5054 -161885.0095 -109760.4573 298.2026 -122.8984 -96.3787 762779.3070 8.4582 8.5330 PRESSURE: 556800 192.375 -205.556 -125.496 -205.557 278.878 3.09953 -125.495 3.0995 -183.389 GPRESSURE: 556800 194.042 -181.215 -95.3569 -216.129 344.785 -66.6188 -111.713 -75.6031 -165.93 PRESSAVG: 556800 -50.5208 -41.8472 10.7611 -41.8472 17.1989 -15.1737 10.7611 -15.1736 0.876213 GPRESSAVG: 556800 -51.3614 -39.2268 9.90002 -43.274 16.9198 -13.9962 11.0578 -14.1593 2.49243 TIMING: 556800 CPU: 1818.37, 0.00309654/step Wall: 1818.37, 0.00309654/step, 3.82182 hours remaining, 232.355469 MB of memory in use. ENERGY: 556800 4042.8360 20378.9591 14474.0987 238.6366 -203601.3289 2702.7679 0.0000 0.0000 51647.6031 -110116.4276 296.8195 -161764.0307 -109769.5477 297.9867 95.9547 124.2991 760516.2473 -10.8152 -10.6497 PRESSURE: 557000 -361.518 -222.389 95.1238 -222.39 -21.8744 163.225 95.1235 163.226 -303.973 GPRESSURE: 557000 -281.828 -172.105 74.5693 -162.046 9.57917 130.967 78.5814 171.55 -340.21 PRESSAVG: 557000 -27.0908 -41.4468 11.7689 -41.4468 19.452 -14.4169 11.7689 -14.417 -1.24393 GPRESSAVG: 557000 -25.174 -44.3822 12.7484 -40.8884 17.9727 -14.4972 11.458 -12.3867 -2.18059 TIMING: 557000 CPU: 1818.99, 0.00311556/step Wall: 1818.99, 0.00311556/step, 3.84512 hours remaining, 232.355469 MB of memory in use. ENERGY: 557000 4001.0903 20394.4169 14397.8992 252.9700 -203713.6400 2872.6473 0.0000 0.0000 51819.4826 -109975.1338 297.8073 -161794.6164 -109618.2413 298.2782 -229.1216 -204.1528 762452.5528 -2.9609 -3.1273 PRESSURE: 557200 52.349 47.1636 66.8159 47.164 -185.606 -84.3278 66.8161 -84.3281 296.352 GPRESSURE: 557200 132.137 34.3344 30.8926 -3.9907 -123.23 -134.249 67.5796 -175.528 253.459 PRESSAVG: 557200 -29.3503 -24.7796 -15.9961 -24.7796 22.2091 8.15065 -15.9962 8.15066 0.628348 GPRESSAVG: 557200 -29.3417 -25.007 -14.8339 -25.13 22.1626 7.31254 -15.9175 5.92798 0.964449 TIMING: 557200 CPU: 1819.61, 0.00312211/step Wall: 1819.61, 0.00312211/step, 3.85303 hours remaining, 232.355469 MB of memory in use. ENERGY: 557200 3984.7608 20350.4453 14461.1189 251.5717 -203680.0258 2894.7490 0.0000 0.0000 51847.8694 -109889.5106 297.9704 -161737.3801 -109529.9258 298.3500 54.3651 87.4552 762291.8923 -2.1709 -2.0715 PRESSURE: 557400 -61.5458 84.8684 -79.3395 84.8691 -134.551 26.9968 -79.3395 26.997 -148.191 GPRESSURE: 557400 55.4129 92.5483 -98.0789 87.7789 -233.495 97.8539 -85.7632 23.8899 -77.0648 PRESSAVG: 557400 -17.179 -40.1155 -34.9324 -40.1155 37.0218 19.5163 -34.9324 19.5163 -6.80258 GPRESSAVG: 557400 -16.3279 -39.9116 -35.1348 -40.9617 36.5316 20.4269 -36.0311 19.8081 -7.17109 TIMING: 557400 CPU: 1820.24, 0.00313943/step Wall: 1820.24, 0.00313943/step, 3.87423 hours remaining, 232.355469 MB of memory in use. ENERGY: 557400 3981.5952 20289.7521 14410.4248 244.1264 -203650.1886 2659.5757 0.0000 0.0000 52010.9019 -110053.8124 298.9074 -162064.7143 -109688.8381 298.3176 -114.7625 -85.0488 760924.4162 4.3467 4.3442 PRESSURE: 557600 -135.163 -47.258 170.102 -47.2582 -0.657104 -134.203 170.102 -134.203 219.57 GPRESSURE: 557600 -43.2566 -27.0631 108.854 115.13 93.8428 -139.105 225.202 -65.4983 126.381 PRESSAVG: 557600 -5.91561 -12.5858 41.1064 -12.5858 -56.8757 45.0231 41.1064 45.023 -4.65005 GPRESSAVG: 557600 -7.78956 -14.6043 38.5483 -11.9276 -54.6283 44.4021 41.9727 44.9463 -5.25388 TIMING: 557600 CPU: 1820.87, 0.00313223/step Wall: 1820.87, 0.00313223/step, 3.86517 hours remaining, 232.355469 MB of memory in use. ENERGY: 557600 3972.0409 20354.1304 14335.1341 245.7964 -203689.4447 2678.3395 0.0000 0.0000 52065.9923 -110038.0111 299.2240 -162104.0034 -109673.8346 298.0155 27.9166 58.9892 761770.5875 -22.4805 -22.5573 PRESSURE: 557800 -13.8444 124.218 42.8313 124.218 -21.7324 122.738 42.8322 122.738 142.359 GPRESSURE: 557800 4.87786 118.43 61.121 39.0403 46.4907 94.3377 126.4 201.997 129.722 PRESSAVG: 557800 35.4621 -25.9866 -1.17411 -25.9866 -12.4953 7.37269 -1.17408 7.37269 8.05172 GPRESSAVG: 557800 35.0247 -24.6547 0.527905 -24.3564 -12.045 6.41266 -0.537875 8.12382 8.31288 TIMING: 557800 CPU: 1821.5, 0.00314008/step Wall: 1821.5, 0.00314008/step, 3.87469 hours remaining, 232.355469 MB of memory in use. ENERGY: 557800 3924.2960 20397.0405 14478.5238 234.7215 -203412.9751 2441.7879 0.0000 0.0000 51853.6687 -110082.9367 298.0037 -161936.6054 -109716.6123 298.0560 35.5941 60.3635 760705.9476 10.3395 10.4308 PRESSURE: 558000 175.731 28.5757 -111.696 28.5756 -125.555 93.5882 -111.696 93.5885 371.891 GPRESSURE: 558000 102.72 90.4383 -96.5878 -53.5899 74.3045 143.326 -111.193 29.6017 328.82 PRESSAVG: 558000 -6.73147 -24.749 -20.2482 -24.749 -8.2853 -15.9192 -20.2482 -15.9193 -15.4061 GPRESSAVG: 558000 -6.10889 -24.2718 -20.1132 -27.0439 -9.43695 -16.8951 -20.5788 -17.2612 -14.4799 TIMING: 558000 CPU: 1822.13, 0.00316535/step Wall: 1822.13, 0.00316535/step, 3.90569 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 3951.6257 20482.8353 14456.1117 249.2464 -203993.4695 2988.8460 0.0000 0.0000 52180.5819 -109684.2225 299.8825 -161864.8044 -109334.0413 298.5487 140.6891 168.6148 760577.7070 -10.1409 -10.0086 PRESSURE: 558200 -83.3901 -196.12 128.268 -196.119 209.893 52.2185 128.267 52.2188 -66.1817 GPRESSURE: 558200 -76.8351 -125.578 116.98 -122.689 229.765 77.0752 43.9335 9.70391 -34.4624 PRESSAVG: 558200 -0.497526 -20.4739 -17.0711 -20.4739 53.7228 5.05896 -17.0711 5.05902 12.9969 GPRESSAVG: 558200 -1.54737 -20.1832 -16.6675 -20.3946 54.5956 7.07876 -18.4246 4.97495 13.1279 TIMING: 558200 CPU: 1822.76, 0.00313555/step Wall: 1822.76, 0.00313555/step, 3.86874 hours remaining, 232.355469 MB of memory in use. ENERGY: 558200 3980.5432 20489.8750 14474.5630 248.2276 -203607.9549 2679.2217 0.0000 0.0000 51789.8431 -109945.6814 297.6369 -161735.5245 -109579.9046 299.0771 20.1072 39.4893 760545.4545 22.0741 22.0587 PRESSURE: 558400 -221.472 95.4727 350.182 95.4717 -557.709 -164.066 350.182 -164.065 -236.688 GPRESSURE: 558400 -205.027 -111.999 378.907 250.346 -497.842 -117.608 290.544 -239.09 -199.483 PRESSAVG: 558400 -10.2665 -16.4969 -33.2544 -16.497 40.2643 20.0653 -33.2544 20.0653 -12.3376 GPRESSAVG: 558400 -9.0428 -19.3061 -34.3293 -14.1034 39.9716 19.3977 -31.64 22.3089 -13.299 TIMING: 558400 CPU: 1823.38, 0.00313513/step Wall: 1823.38, 0.00313513/step, 3.86806 hours remaining, 232.355469 MB of memory in use. ENERGY: 558400 4044.1535 20396.2030 14408.8707 228.7522 -203467.1331 2545.0762 0.0000 0.0000 51931.3208 -109912.7567 298.4500 -161844.0775 -109551.3855 298.2839 -338.6231 -300.7840 762439.6691 5.8867 5.8766 PRESSURE: 558600 -59.4077 189.65 92.795 189.65 91.6896 -130.95 92.7958 -130.949 87.0571 GPRESSURE: 558600 46.4482 146.644 76.6592 216.775 29.5506 -78.892 100.41 -44.0323 144.406 PRESSAVG: 558600 -6.0413 1.43092 -6.86736 1.43097 -15.4979 0.614206 -6.86743 0.614128 17.2277 GPRESSAVG: 558600 -5.61481 3.75438 -6.84909 0.198251 -17.2911 -0.482381 -8.34534 -0.618016 18.2686 TIMING: 558600 CPU: 1824.01, 0.0031371/step Wall: 1824.01, 0.0031371/step, 3.87031 hours remaining, 232.355469 MB of memory in use. ENERGY: 558600 3971.8710 20424.7635 14447.9217 266.9509 -203455.8102 2526.9565 0.0000 0.0000 51852.1088 -109965.2379 297.9948 -161817.3466 -109601.8312 298.5684 39.7797 73.4684 762400.6318 -1.4372 -1.5458 PRESSURE: 558800 -251.019 -92.593 -42.2714 -92.5932 84.4367 -98.5682 -42.2705 -98.569 -139.64 GPRESSURE: 558800 -213.272 -104.376 -20.598 -67.4314 69.269 -117.333 -20.8955 -69.5044 -61.1622 PRESSAVG: 558800 -23.9885 -22.3943 33.0739 -22.3943 -11.3148 -2.98484 33.0739 -2.98491 -20.933 GPRESSAVG: 558800 -24.171 -22.5618 31.4454 -22.9096 -11.9293 -1.36193 34.7227 -4.3798 -20.4652 TIMING: 558800 CPU: 1824.64, 0.00314112/step Wall: 1824.64, 0.00314112/step, 3.87509 hours remaining, 232.355469 MB of memory in use. ENERGY: 558800 3992.8330 20415.9014 14405.1366 245.1188 -203210.3157 2436.0040 0.0000 0.0000 51833.4518 -109881.8701 297.8876 -161715.3219 -109513.7944 297.9528 -102.0741 -68.3884 762139.0646 -18.7454 -18.8552 PRESSURE: 559000 135.015 -200.232 203.068 -200.232 -284.832 15.7274 203.068 15.7276 -52.1727 GPRESSURE: 559000 154.739 -295.318 187.178 -188.812 -192.502 1.45777 164.286 9.36505 -109.285 PRESSAVG: 559000 3.44462 -47.6818 17.7001 -47.6818 -20.4196 -39.6472 17.7001 -39.6471 33.1332 GPRESSAVG: 559000 2.98025 -46.8063 20.1225 -47.5949 -19.4022 -39.7837 16.4054 -37.854 32.5017 TIMING: 559000 CPU: 1825.27, 0.00313837/step Wall: 1825.27, 0.00313837/step, 3.87152 hours remaining, 232.355469 MB of memory in use. ENERGY: 559000 3931.4060 20394.2715 14499.7301 250.2134 -203581.8401 2620.9833 0.0000 0.0000 51796.3278 -110088.9080 297.6742 -161885.2358 -109725.5857 298.2945 -67.3298 -49.0158 761528.0872 5.3861 5.3599 PRESSURE: 559200 44.8559 -31.4612 5.60566 -31.4616 -177.029 -53.4989 5.60636 -53.4986 123.036 GPRESSURE: 559200 91.5153 -127.264 70.3283 -76.4254 -145.869 -128.888 -35.131 -1.28741 112.163 PRESSAVG: 559200 1.13682 -18.884 58.7081 -18.8841 -6.8603 -37.1908 58.7081 -37.1908 -23.7969 GPRESSAVG: 559200 2.91414 -21.1409 58.5319 -19.4132 -6.0336 -36.7315 57.8623 -37.6022 -25.7835 TIMING: 559200 CPU: 1825.89, 0.00312148/step Wall: 1825.89, 0.00312148/step, 3.85052 hours remaining, 232.355469 MB of memory in use. ENERGY: 559200 3957.0048 20634.8962 14431.1823 242.4183 -203577.9229 2453.0446 0.0000 0.0000 51815.5758 -110043.8009 297.7848 -161859.3767 -109688.1569 297.3106 -3.0458 19.2699 760151.2730 -9.8401 -9.6343 PRESSURE: 559400 -364.034 139.027 14.5173 139.027 16.7808 22.9797 14.5166 22.9802 -330.006 GPRESSURE: 559400 -331.068 102.333 165.323 65.6354 13.2603 -41.0072 78.9328 136.071 -284.617 PRESSAVG: 559400 46.0167 -38.9193 -23.4346 -38.9194 23.955 -30.8418 -23.4346 -30.8419 7.30036 GPRESSAVG: 559400 45.5003 -37.3882 -23.7625 -40.1422 23.0775 -30.7347 -20.346 -30.0492 9.47124 TIMING: 559400 CPU: 1826.52, 0.003128/step Wall: 1826.52, 0.003128/step, 3.85839 hours remaining, 232.355469 MB of memory in use. ENERGY: 559400 3975.7754 20561.8951 14452.2109 258.2793 -203580.3270 2351.9994 0.0000 0.0000 51694.5561 -110285.6109 297.0893 -161980.1669 -109937.4621 298.1865 -225.7531 -200.8083 760640.6258 25.7573 26.0163 PRESSURE: 559600 -296.6 107.527 58.0245 107.526 360.998 64.5406 58.024 64.5409 151.544 GPRESSURE: 559600 -272.634 216.431 14.4341 70.2259 408.158 61.4173 15.9439 96.1616 158.429 PRESSAVG: 559600 -49.2318 -71.2563 1.45713 -71.2563 74.5666 -7.74492 1.45706 -7.74495 19.6014 GPRESSAVG: 559600 -49.8638 -70.0398 1.10786 -69.5276 74.9465 -7.5991 0.134247 -8.6195 20.1876 TIMING: 559600 CPU: 1827.14, 0.00312462/step Wall: 1827.14, 0.00312461/step, 3.85404 hours remaining, 232.355469 MB of memory in use. ENERGY: 559600 3950.2627 20493.0211 14397.3017 232.6937 -203994.1195 2761.5150 0.0000 0.0000 51744.6879 -110414.6375 297.3774 -162159.3253 -110057.9360 297.6369 71.9806 97.9844 759387.8551 14.9787 15.0901 PRESSURE: 559800 71.2988 -10.7509 0.954867 -10.7504 -12.4583 91.3312 0.954432 91.3305 -212.256 GPRESSURE: 559800 25.218 -15.7698 -13.5987 -8.92556 55.9664 171.109 22.4015 53.988 -155.73 PRESSAVG: 559800 -57.6979 -17.0451 -6.26336 -17.045 42.0824 -68.1837 -6.26337 -68.1836 -14.8954 GPRESSAVG: 559800 -57.0529 -19.2272 -4.47296 -17.5901 42.3816 -68.1054 -7.23602 -67.8714 -15.8651 TIMING: 559800 CPU: 1827.77, 0.00314172/step Wall: 1827.77, 0.00314172/step, 3.87496 hours remaining, 232.355469 MB of memory in use. ENERGY: 559800 3938.3781 20525.0366 14405.2494 241.8739 -203767.0850 2573.6010 0.0000 0.0000 51910.4430 -110172.5030 298.3300 -162082.9461 -109818.4895 298.0865 -51.1387 -24.8485 760660.7010 -10.1703 -10.1788 PRESSURE: 560000 40.8938 139.024 -65.451 139.024 138.729 -40.8172 -65.4511 -40.8181 100.054 GPRESSURE: 560000 73.1481 155.052 21.14 46.6884 120.37 -123.5 -155.24 66.3182 172.817 PRESSAVG: 560000 8.98938 -50.5993 -10.4906 -50.5993 -33.5598 -15.6877 -10.4906 -15.6876 -15.8765 GPRESSAVG: 560000 9.11009 -49.9313 -12.625 -51.7344 -33.1338 -15.2055 -9.25999 -14.9367 -16.3268 TIMING: 560000 CPU: 1828.4, 0.00314047/step Wall: 1828.4, 0.00314047/step, 3.87324 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 3923.1278 20498.7715 14489.6234 248.2534 -204110.1347 3024.1003 0.0000 0.0000 51958.2008 -109968.0574 298.6045 -161926.2582 -109616.1976 298.2887 93.2257 122.1114 760813.4978 -13.4823 -13.4502 PRESSURE: 560200 -129.725 138.054 38.704 138.053 99.4778 -162.683 38.7031 -162.682 350.396 GPRESSURE: 560200 -127.341 94.8454 88.7541 118.627 134.477 -95.5813 -45.3874 -188.048 393.077 PRESSAVG: 560200 19.9477 32.916 -27.0385 32.916 46.8409 -14.5829 -27.0385 -14.583 -10.2678 GPRESSAVG: 560200 20.2962 30.6029 -25.9151 34.9851 46.9959 -14.236 -28.7468 -14.5399 -10.7417 TIMING: 560200 CPU: 1829.03, 0.00314695/step Wall: 1829.03, 0.00314696/step, 3.88107 hours remaining, 232.355469 MB of memory in use. ENERGY: 560200 3887.3105 20525.8811 14402.7964 263.1906 -203526.2753 2301.7414 0.0000 0.0000 52185.1396 -109960.2156 299.9087 -162145.3552 -109592.2112 298.9165 106.7163 133.4045 760472.0053 18.8402 18.8501 LDB: ============= START OF LOAD BALANCING ============== 1841.45 LDB: ============== END OF LOAD BALANCING =============== 1841.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1841.45 LDB: ============= START OF LOAD BALANCING ============== 1841.76 LDB: Largest compute 7058 load 0.034131 is 17.6% of average load 0.193756 LDB: Average compute 0.004347 is 2.2% of average load 0.193756 LDB: TIME 1841.77 LOAD: AVG 0.193756 MAX 0.209965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.254 MB LDB: TIME 1841.77 LOAD: AVG 0.193756 MAX 0.209965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.254 MB LDB: TIME 1841.77 LOAD: AVG 0.193756 MAX 0.209965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.254 MB LDB: ============== END OF LOAD BALANCING =============== 1841.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1841.77 PRESSURE: 560400 110.51 85.8763 -38.8806 85.8771 -81.9773 183.525 -38.8802 183.525 57.9557 GPRESSURE: 560400 67.7801 231.632 -61.1575 41.2219 -10.6147 220.276 69.8659 38.1382 115.692 PRESSAVG: 560400 65.5938 19.1075 -44.4254 19.1075 -68.2079 -15.3648 -44.4255 -15.3647 23.8295 GPRESSAVG: 560400 64.7001 20.3835 -45.0095 17.282 -67.9153 -16.0567 -44.31 -16.1833 24.3554 TIMING: 560400 CPU: 1829.67, 0.00319716/step Wall: 1829.67, 0.00319716/step, 3.94281 hours remaining, 230.476562 MB of memory in use. ENERGY: 560400 4017.6953 20534.9243 14433.2894 246.0671 -204059.3822 2931.9116 0.0000 0.0000 51984.7538 -109910.7408 298.7571 -161895.4947 -109555.3082 298.6383 28.8295 57.6190 760121.9550 7.0718 7.0467 PRESSURE: 560600 -252.031 -94.0799 -122.442 -94.08 -325.505 130.353 -122.442 130.353 -141.381 GPRESSURE: 560600 -167.321 -63.18 -165.063 18.9523 -299.447 182.844 -234.561 129.569 -172.574 PRESSAVG: 560600 -45.8887 6.36963 -29.2646 6.36959 47.7514 -13.8484 -29.2646 -13.8484 9.53743 GPRESSAVG: 560600 -47.3149 9.58827 -28.9158 6.46123 49.4215 -14.0121 -29.0455 -13.8433 9.40429 TIMING: 560600 CPU: 1830.3, 0.00314215/step Wall: 1830.3, 0.00314215/step, 3.8748 hours remaining, 230.675781 MB of memory in use. ENERGY: 560600 3935.8497 20441.3786 14508.6648 240.0768 -202945.4443 1966.2735 0.0000 0.0000 51963.7196 -109889.4812 298.6362 -161853.2007 -109521.4723 298.8162 -239.6390 -213.1138 761025.9002 3.8001 3.8370 PRESSURE: 560800 132.519 -153.096 23.8522 -153.095 111.852 95.8019 23.8514 95.801 135.027 GPRESSURE: 560800 206.875 -73.0812 -6.40758 -74.5442 118.687 89.1402 7.66205 160.09 143.448 PRESSAVG: 560800 68.5969 4.26601 -22.8183 4.26603 -44.3213 3.40889 -22.8184 3.40876 -1.60817 GPRESSAVG: 560800 69.7818 4.05307 -23.6135 3.0805 -47.0679 2.49033 -23.5275 4.61097 0.0498031 TIMING: 560800 CPU: 1830.93, 0.00315754/step Wall: 1830.93, 0.00315754/step, 3.8936 hours remaining, 230.675781 MB of memory in use. ENERGY: 560800 3996.6885 20719.3741 14435.0659 250.9097 -203611.9174 2502.8394 0.0000 0.0000 51758.7803 -109948.2594 297.4584 -161707.0397 -109584.5748 298.2887 126.4660 156.3368 759711.1242 7.5558 7.5879 PRESSURE: 561000 13.9478 -47.0236 -37.7581 -47.0237 -202.792 -105.664 -37.7581 -105.665 -459.36 GPRESSURE: 561000 -24.4109 -78.9524 -127.621 -79.1426 -142.348 -109.373 165.126 -73.5817 -392.316 PRESSAVG: 561000 4.98185 -48.6271 24.8089 -48.627 -29.4529 -0.170568 24.8089 -0.17062 21.3737 GPRESSAVG: 561000 3.88782 -49.6685 26.6581 -47.7664 -27.3741 1.73999 25.0542 -1.92459 20.5141 TIMING: 561000 CPU: 1831.55, 0.00312333/step Wall: 1831.55, 0.00312333/step, 3.85124 hours remaining, 230.675781 MB of memory in use. ENERGY: 561000 3960.0934 20438.2942 14428.0808 238.9847 -203576.6051 2743.7798 0.0000 0.0000 51868.4724 -109898.8998 298.0888 -161767.3722 -109531.1608 298.8478 -216.0681 -186.3583 761069.3766 -1.0325 -0.9907 PRESSURE: 561200 -694.997 -115.482 -353.962 -115.482 10.1504 -123.429 -353.963 -123.43 87.8342 GPRESSURE: 561200 -683.215 -115.858 -432.459 14.8306 110.376 -134.986 -263.875 -69.0048 64.2142 PRESSAVG: 561200 -3.06258 -19.4729 -21.9064 -19.473 -16.6919 -1.23476 -21.9063 -1.23474 -16.3231 GPRESSAVG: 561200 -1.35678 -21.5033 -21.8414 -17.939 -17.4473 -3.64786 -20.8513 0.824269 -16.999 TIMING: 561200 CPU: 1832.18, 0.00312579/step Wall: 1832.18, 0.00312579/step, 3.8541 hours remaining, 230.675781 MB of memory in use. ENERGY: 561200 3976.4032 20577.8693 14455.9323 257.4315 -203476.8707 2522.0378 0.0000 0.0000 52009.4744 -109677.7221 298.8992 -161687.1965 -109310.7909 298.7187 -199.0041 -169.5417 761147.0604 -12.0259 -11.9344 PRESSURE: 561400 -67.3465 -35.0107 116.425 -35.011 -124.22 63.5542 116.424 63.553 -305.214 GPRESSURE: 561400 -108.836 -83.2487 85.7778 56.6864 -23.6524 63.2563 36.8951 8.88725 -286.373 PRESSAVG: 561400 -32.0591 -48.1526 -53.9296 -48.1526 0.433843 1.64563 -53.9296 1.64558 -3.07329 GPRESSAVG: 561400 -32.8935 -48.2911 -54.8735 -47.1397 0.265077 2.9085 -55.3095 0.785412 -1.82845 TIMING: 561400 CPU: 1832.8, 0.0031381/step Wall: 1832.8, 0.0031381/step, 3.86911 hours remaining, 230.675781 MB of memory in use. ENERGY: 561400 3998.3700 20487.9810 14438.2419 232.3649 -203627.3368 2659.3245 0.0000 0.0000 52128.1786 -109682.8759 299.5814 -161811.0545 -109311.0221 299.3652 -165.5933 -139.6203 761238.5404 -11.5662 -11.4856 PRESSURE: 561600 -0.296347 127.678 122.407 127.678 16.2069 36.0945 122.406 36.0936 -144.941 GPRESSURE: 561600 -40.3784 76.3879 177.939 291.508 27.6858 36.9725 74.4901 -9.25599 -62.2169 PRESSAVG: 561600 21.3713 -21.2267 -25.3502 -21.2267 -40.5995 44.1643 -25.3502 44.1643 6.09419 GPRESSAVG: 561600 21.1543 -19.1204 -25.5689 -21.7415 -41.3259 44.5454 -26.0154 44.2932 6.08246 TIMING: 561600 CPU: 1833.43, 0.00313358/step Wall: 1833.43, 0.00313358/step, 3.86336 hours remaining, 230.675781 MB of memory in use. ENERGY: 561600 3994.1689 20680.0765 14378.1662 222.6703 -203474.3550 2517.0613 0.0000 0.0000 52035.8150 -109646.3967 299.0505 -161682.2117 -109281.4851 299.5003 -43.0100 -24.9698 759525.2656 -4.3780 -4.6964 PRESSURE: 561800 -52.2557 -15.1451 -166.535 -15.1459 69.3929 -36.5952 -166.534 -36.5955 -116.737 GPRESSURE: 561800 57.8223 -47.2696 -69.7948 -44.4273 54.6644 -50.2214 -190.844 -32.4463 -122.656 PRESSAVG: 561800 -11.856 -19.3662 4.47681 -19.3661 2.14488 10.9449 4.47683 10.9448 10.104 GPRESSAVG: 561800 -11.4426 -18.8129 5.71911 -21.2551 2.97413 10.5144 5.28492 9.25866 9.57721 TIMING: 561800 CPU: 1834.06, 0.00314767/step Wall: 1834.06, 0.00314767/step, 3.88055 hours remaining, 230.675781 MB of memory in use. ENERGY: 561800 3979.0650 20589.0051 14471.1558 236.6649 -203413.2909 2372.4095 0.0000 0.0000 52065.2959 -109699.6947 299.2200 -161764.9907 -109344.0954 298.9965 -33.1999 -3.3897 760054.8585 0.1310 0.3696 PRESSURE: 562000 146.108 166.102 -7.08243 166.101 134.704 -258.526 -7.08309 -258.525 -26.5301 GPRESSURE: 562000 153.847 138.965 -1.08589 162.282 141.949 -307.038 -102.777 -189.032 55.0674 PRESSAVG: 562000 -4.79027 -77.3068 27.2459 -77.3067 -40.3239 13.0196 27.2459 13.0196 -8.11023 GPRESSAVG: 562000 -3.92274 -76.6231 25.6018 -77.5648 -42.3299 12.249 26.5033 14.3238 -7.04328 TIMING: 562000 CPU: 1834.69, 0.00314489/step Wall: 1834.69, 0.00314489/step, 3.87696 hours remaining, 230.675781 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: 562000 4006.5273 20441.9004 14394.8421 235.1633 -203553.9725 2556.2846 0.0000 0.0000 52010.5768 -109908.6780 298.9055 -161919.2548 -109551.4285 298.7055 84.7605 116.9546 760857.9538 -17.7415 -17.7653 PRESSURE: 562200 546.22 -30.3169 -5.26859 -30.3167 376.272 -118.843 -5.26764 -118.844 2.31886 GPRESSURE: 562200 586.026 -30.9367 81.5709 -112.161 402.271 -176.731 40.3649 -29.8328 17.7805 PRESSAVG: 562200 17.0646 -56.635 -55.5844 -56.635 36.6978 -28.367 -55.5844 -28.3669 -1.06933 GPRESSAVG: 562200 16.1084 -58.0892 -54.9694 -56.0822 37.0314 -29.4237 -53.7619 -27.1903 -0.67027 TIMING: 562200 CPU: 1835.32, 0.0031309/step Wall: 1835.32, 0.0031309/step, 3.85953 hours remaining, 230.675781 MB of memory in use. ENERGY: 562200 3964.1831 20465.1886 14464.3958 239.1141 -203449.4184 2724.7120 0.0000 0.0000 51762.1468 -109829.6780 297.4778 -161591.8248 -109473.3795 298.4544 308.2702 335.3592 756879.6350 17.5643 17.4898 PRESSURE: 562400 233.183 -196.939 -37.6126 -196.939 200.463 90.4634 -37.6129 90.4637 468.071 GPRESSURE: 562400 302.164 -124.143 62.6462 -383.255 364.958 130.091 -25.7829 97.8424 343.203 PRESSAVG: 562400 42.1969 -67.8972 -0.611916 -67.8972 -46.9957 1.9402 -0.611915 1.94032 2.78327 GPRESSAVG: 562400 41.0388 -66.3182 -0.822145 -69.7536 -45.3127 0.749118 0.645108 2.06778 1.9348 TIMING: 562400 CPU: 1835.94, 0.00312711/step Wall: 1835.94, 0.00312711/step, 3.85468 hours remaining, 230.675781 MB of memory in use. ENERGY: 562400 3854.6928 20477.0528 14395.1797 253.6407 -203478.5105 2653.1294 0.0000 0.0000 51793.2226 -110051.5924 297.6564 -161844.8151 -109682.3338 298.4403 300.5724 336.7749 758599.2685 -0.6719 -0.7797 PRESSURE: 562600 472.841 -110.88 83.4593 -110.881 350.376 -105.628 83.4599 -105.627 -22.3119 GPRESSURE: 562600 467.299 -108.004 47.7331 -113.208 420.857 -101.073 40.4959 -140.279 -27.2634 PRESSAVG: 562600 46.2831 -36.1414 -29.2 -36.1414 -19.7797 2.66798 -29.2 2.6681 8.18403 GPRESSAVG: 562600 47.8838 -35.8606 -29.4681 -35.2811 -21.3079 4.50729 -31.0345 0.906703 7.82887 TIMING: 562600 CPU: 1836.57, 0.00312908/step Wall: 1836.57, 0.00312908/step, 3.85694 hours remaining, 230.675781 MB of memory in use. ENERGY: 562600 4011.4076 20545.3186 14477.1482 250.8799 -203498.9373 2610.0559 0.0000 0.0000 51684.0984 -109920.0287 297.0292 -161604.1271 -109563.5797 298.4358 266.9684 286.9639 759015.3866 11.5625 11.4682 PRESSURE: 562800 104.335 -138.063 -51.861 -138.063 -117.342 179.42 -51.8616 179.419 -112.111 GPRESSURE: 562800 47.6452 -3.94614 4.01889 -147.4 -71.7593 175.558 -69.2635 144.045 -53.9014 PRESSAVG: 562800 -41.7555 -64.7382 11.2735 -64.7382 36.0937 -1.42588 11.2735 -1.42592 -6.91673 GPRESSAVG: 562800 -42.7618 -65.4314 11.8411 -65.8514 36.9639 -3.21824 9.06574 -0.844944 -6.68419 TIMING: 562800 CPU: 1837.19, 0.00313326/step Wall: 1837.19, 0.00313326/step, 3.86192 hours remaining, 230.675781 MB of memory in use. ENERGY: 562800 3946.5386 20654.2372 14449.2916 252.4316 -203835.0175 2819.5071 0.0000 0.0000 51968.8729 -109744.1385 298.6658 -161713.0115 -109379.4191 298.4868 -41.7058 -26.0052 760197.4495 -4.1928 -4.1607 PRESSURE: 563000 -388.051 183.418 41.5063 183.419 -162.219 -96.8849 41.5071 -96.8846 -82.1482 GPRESSURE: 563000 -339.236 244.179 42.2039 8.1877 -116.273 -70.4983 63.0421 -34.6786 -125.653 PRESSAVG: 563000 58.6014 -0.221859 -2.27039 -0.221884 -38.1093 -31.2374 -2.27043 -31.2373 -8.32422 GPRESSAVG: 563000 58.6076 -2.623 -2.35712 2.4775 -38.1701 -30.2873 1.00821 -30.5145 -8.4899 TIMING: 563000 CPU: 1837.82, 0.00311462/step Wall: 1837.82, 0.00311462/step, 3.83877 hours remaining, 230.675781 MB of memory in use. ENERGY: 563000 3990.5536 20726.4030 14506.1022 263.7294 -203023.3048 2167.8268 0.0000 0.0000 51872.7489 -109495.9409 298.1134 -161368.6897 -109131.5091 298.9234 -210.8060 -193.7207 760936.9765 4.0560 3.9825 PRESSURE: 563200 -343.329 -298.12 -131.906 -298.12 201.317 -164.708 -131.906 -164.709 263.898 GPRESSURE: 563200 -189.075 -172.088 -153.189 -335.912 264.169 -123.635 -10.8481 -8.35761 155.778 PRESSAVG: 563200 21.49 -2.75768 -40.8523 -2.75773 1.5139 40.0952 -40.8523 40.0953 0.279496 GPRESSAVG: 563200 23.8285 -1.1116 -41.2819 -2.99779 0.0425366 40.5291 -41.725 39.007 -0.532985 TIMING: 563200 CPU: 1838.44, 0.0031321/step Wall: 1838.44, 0.0031321/step, 3.86014 hours remaining, 230.675781 MB of memory in use. ENERGY: 563200 3990.0086 20568.8220 14488.1333 247.8301 -203306.2759 2562.9605 0.0000 0.0000 51871.8513 -109576.6700 298.1082 -161448.5213 -109233.4179 299.3480 40.6288 76.9573 762598.6183 7.7611 7.7794 PRESSURE: 563400 -136.656 -171.629 -17.1977 -171.63 -121.955 -100.633 -17.1976 -100.633 334.258 GPRESSURE: 563400 -110.873 -208.798 -6.5506 -187.788 -5.27863 -38.601 32.2222 -162.54 297.095 PRESSAVG: 563400 -7.29899 -41.9706 10.6976 -41.9706 -30.5786 18.312 10.6976 18.3121 26.2594 GPRESSAVG: 563400 -8.39691 -41.6843 11.9809 -41.673 -30.1345 19.3367 9.85845 17.1345 26.6743 TIMING: 563400 CPU: 1839.07, 0.0031346/step Wall: 1839.07, 0.0031346/step, 3.86305 hours remaining, 230.675781 MB of memory in use. ENERGY: 563400 3923.6349 20481.1060 14558.2371 244.9241 -203116.1018 2406.3004 0.0000 0.0000 51904.7434 -109597.1558 298.2973 -161501.8992 -109231.2935 299.0356 25.2156 60.3144 762744.8454 -3.8727 -3.9524 PRESSURE: 563600 250.896 -248.842 147.176 -248.842 -60.3694 -289.426 147.177 -289.426 -117.048 GPRESSURE: 563600 204.101 -213.985 212.691 -191.088 20.7861 -249.822 47.5889 -176.564 -46.4408 PRESSAVG: 563600 74.8748 -48.9147 -35.9675 -48.9147 -25.0137 -18.0015 -35.9675 -18.0015 13.6677 GPRESSAVG: 563600 73.1792 -49.9462 -35.6628 -48.9099 -24.5006 -18.2672 -37.9387 -17.504 14.7773 TIMING: 563600 CPU: 1839.7, 0.00313875/step Wall: 1839.7, 0.00313875/step, 3.86798 hours remaining, 230.675781 MB of memory in use. ENERGY: 563600 4033.5546 20478.0845 14544.3700 252.8239 -203357.8504 2703.8737 0.0000 0.0000 51863.8230 -109481.3206 298.0621 -161345.1437 -109127.5464 299.0045 24.4927 59.4821 761241.3706 21.1763 21.1519 PRESSURE: 563800 -165.679 -60.0333 12.4725 -60.0331 -276.262 -33.2661 12.4724 -33.2673 -328.049 GPRESSURE: 563800 -115.449 -103.551 41.4637 -138.493 -239.323 -30.1923 -2.3848 -65.6002 -344.92 PRESSAVG: 563800 8.96009 -74.4245 3.60139 -74.4245 -9.04646 -9.02887 3.60141 -9.02892 11.4268 GPRESSAVG: 563800 10.1898 -75.8515 2.31072 -75.0294 -9.8344 -8.13924 5.87247 -9.19821 10.688 TIMING: 563800 CPU: 1840.33, 0.00315173/step Wall: 1840.33, 0.00315173/step, 3.88381 hours remaining, 230.675781 MB of memory in use. ENERGY: 563800 3953.7659 20535.8639 14444.0854 243.8735 -203402.3011 2658.7056 0.0000 0.0000 52109.9240 -109456.0828 299.4764 -161566.0068 -109090.9943 298.9782 -256.6636 -233.2308 761885.2683 3.7801 3.6811 PRESSURE: 564000 -193.198 -387.262 -195.494 -387.262 -10.127 -143.142 -195.495 -143.142 50.4342 GPRESSURE: 564000 -173.261 -311.104 -107.142 -265.194 29.2511 -169.94 -159.177 -10.9212 65.1461 PRESSAVG: 564000 -30.7372 -68.4574 -31.9442 -68.4575 14.1289 -46.9806 -31.9442 -46.9807 27.9718 GPRESSAVG: 564000 -31.0664 -64.5333 -32.086 -69.546 14.4703 -48.3093 -32.0333 -43.7775 28.2564 TIMING: 564000 CPU: 1840.95, 0.00313111/step Wall: 1840.95, 0.00313111/step, 3.85822 hours remaining, 230.675781 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: 564000 3917.2360 20581.6432 14504.5799 260.6336 -202983.0875 2258.0754 0.0000 0.0000 51928.8920 -109532.0274 298.4361 -161460.9194 -109171.2980 299.3428 -50.9635 -26.2880 759052.4319 3.7878 3.8868 PRESSURE: 564200 -236.793 32.1824 2.20862 32.183 145.486 64.5687 2.20865 64.5677 -318.645 GPRESSURE: 564200 -108.87 31.2631 -89.4962 85.6827 108.684 28.4311 58.3162 58.3323 -336.136 PRESSAVG: 564200 -51.8351 -74.4874 -5.727 -74.4874 26.1718 -4.8813 -5.72698 -4.88126 -30.2399 GPRESSAVG: 564200 -51.9272 -75.9086 -3.71663 -71.6702 25.0435 -6.25232 -5.26875 -8.16995 -29.4584 TIMING: 564200 CPU: 1841.58, 0.00312932/step Wall: 1841.58, 0.00312932/step, 3.85584 hours remaining, 230.675781 MB of memory in use. ENERGY: 564200 4005.1204 20375.6538 14556.9342 253.7678 -203742.4941 2688.7379 0.0000 0.0000 52390.5280 -109471.7522 301.0891 -161862.2802 -109106.5356 299.2292 -136.6508 -112.1074 760256.8137 -18.6344 -18.7807 LDB: ============= START OF LOAD BALANCING ============== 1854 LDB: ============== END OF LOAD BALANCING =============== 1854 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1854 LDB: ============= START OF LOAD BALANCING ============== 1854.31 LDB: Largest compute 7043 load 0.033179 is 17.1% of average load 0.193721 LDB: Average compute 0.004383 is 2.3% of average load 0.193721 LDB: TIME 1854.32 LOAD: AVG 0.193721 MAX 0.213507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.613 MB LDB: TIME 1854.32 LOAD: AVG 0.193721 MAX 0.213507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: TIME 1854.32 LOAD: AVG 0.193721 MAX 0.213507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: ============== END OF LOAD BALANCING =============== 1854.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1854.32 PRESSURE: 564400 156.304 -89.9264 197.69 -89.9258 158.17 -77.062 197.69 -77.0618 -202.598 GPRESSURE: 564400 204.737 -61.639 247.025 40.9241 239.294 -135.803 165.114 50.2463 -253.678 PRESSAVG: 564400 -31.6944 -28.0464 29.9046 -28.0463 20.2118 12.6297 29.9046 12.6297 12.0649 GPRESSAVG: 564400 -30.4847 -28.2488 28.3136 -30.6314 19.9034 13.1122 29.6541 15.7984 11.2014 TIMING: 564400 CPU: 1842.22, 0.00318475/step Wall: 1842.22, 0.00318475/step, 3.92397 hours remaining, 232.925781 MB of memory in use. ENERGY: 564400 3906.6024 20510.6648 14510.1743 257.5640 -203451.3478 2623.1442 0.0000 0.0000 52019.5909 -109623.6071 298.9573 -161643.1980 -109248.6857 299.3903 37.2921 63.4514 761184.2206 0.1941 0.2067 PRESSURE: 564600 14.4143 94.9237 35.0405 94.924 -200.924 60.3021 35.0401 60.3019 -130.219 GPRESSURE: 564600 122.478 121.786 -23.6256 83.6088 -194.759 35.7976 98.7252 118.807 -149.077 PRESSAVG: 564600 32.5038 -48.1715 -14.1489 -48.1715 -5.87047 17.6386 -14.1489 17.6387 -11.5097 GPRESSAVG: 564600 32.6753 -47.0475 -14.2315 -47.4018 -5.80975 16.6894 -14.1184 17.2484 -11.854 TIMING: 564600 CPU: 1842.84, 0.00312173/step Wall: 1842.84, 0.00312174/step, 3.84615 hours remaining, 233.199219 MB of memory in use. ENERGY: 564600 4047.8000 20378.4278 14501.6475 237.2367 -203524.6710 2706.1565 0.0000 0.0000 52157.5110 -109495.8916 299.7499 -161653.4025 -109118.9331 299.1983 -105.5761 -73.7859 761203.5104 5.0412 5.0038 PRESSURE: 564800 40.3402 139.421 8.12644 139.421 161.507 -55.4043 8.12648 -55.4043 88.8278 GPRESSURE: 564800 144.781 125.34 5.76554 247.554 187.257 -153.52 100.453 -45.2096 48.4491 PRESSAVG: 564800 22.7176 -19.2727 -19.6702 -19.2726 17.6623 -41.0409 -19.6702 -41.0409 2.61445 GPRESSAVG: 564800 23.005 -22.7031 -19.579 -18.2948 16.3155 -39.2346 -18.8316 -42.4413 3.1963 TIMING: 564800 CPU: 1843.47, 0.00311686/step Wall: 1843.47, 0.00311686/step, 3.83998 hours remaining, 233.199219 MB of memory in use. ENERGY: 564800 3978.6215 20640.7312 14441.4987 233.4205 -203540.6985 2739.1179 0.0000 0.0000 51898.2889 -109609.0198 298.2602 -161507.3087 -109261.4152 299.2081 96.8915 126.8292 760214.2519 14.3314 14.1723 PRESSURE: 565000 35.2521 56.3958 371.412 56.396 -61.1191 -190.689 371.413 -190.689 124.152 GPRESSURE: 565000 42.9566 78.896 418.365 -3.35555 -25.0371 -160.567 277.816 -50.5054 175.949 PRESSAVG: 565000 50.2844 3.32695 15.0457 3.32689 9.73674 -35.8691 15.0457 -35.8691 8.22631 GPRESSAVG: 565000 48.3198 5.51979 14.9498 3.64513 12.8196 -37.0907 13.3083 -34.33 8.09224 TIMING: 565000 CPU: 1844.09, 0.00314105/step Wall: 1844.09, 0.00314105/step, 3.8696 hours remaining, 233.199219 MB of memory in use. ENERGY: 565000 3972.5170 20557.1721 14451.7397 239.4247 -203549.1231 2473.1600 0.0000 0.0000 51956.2759 -109898.8337 298.5934 -161855.1096 -109541.4963 298.4734 32.7617 64.6229 760778.6167 22.7492 23.0772 PRESSURE: 565200 81.6291 -156.618 -160.542 -156.618 -133.147 -79.2494 -160.542 -79.2489 93.9398 GPRESSURE: 565200 118.872 -234.795 -132.183 -76.9206 -76.2067 -71.0139 -109.502 -117.377 89.8471 PRESSAVG: 565200 36.2117 -18.3472 2.20988 -18.3472 -50.8092 -26.9184 2.20983 -26.9185 11.0752 GPRESSAVG: 565200 37.4696 -18.4904 2.96934 -18.4031 -52.3523 -27.3181 0.356053 -27.3637 11.1963 TIMING: 565200 CPU: 1844.72, 0.00312895/step Wall: 1844.72, 0.00312895/step, 3.85452 hours remaining, 233.199219 MB of memory in use. ENERGY: 565200 3923.3274 20418.8502 14483.3805 247.1570 -203470.4128 2555.0900 0.0000 0.0000 51782.6613 -110059.9464 297.5957 -161842.6077 -109703.0273 298.4008 14.1408 44.1709 760373.8859 -1.1741 -1.2288 PRESSURE: 565400 76.4342 -140.419 -41.6236 -140.419 233.909 -129.601 -41.6233 -129.601 353.356 GPRESSURE: 565400 3.86914 -91.5968 -71.6171 -152.285 288.368 -146.628 52.1512 -123.681 447.93 PRESSAVG: 565400 -16.4779 -12.5554 36.1737 -12.5553 -35.8387 -19.496 36.1738 -19.4959 -7.53599 GPRESSAVG: 565400 -17.5825 -12.7088 35.3287 -14.2021 -35.8823 -18.5 39.0928 -20.4564 -6.75631 TIMING: 565400 CPU: 1845.35, 0.00314062/step Wall: 1845.35, 0.00314062/step, 3.86872 hours remaining, 233.199219 MB of memory in use. ENERGY: 565400 3969.9406 20422.0282 14485.0804 260.4191 -203990.3278 3004.9988 0.0000 0.0000 52049.0543 -109798.8064 299.1266 -161847.8607 -109448.6834 298.2126 221.2331 246.7223 759248.6597 -19.9509 -20.0737 PRESSURE: 565600 -396.548 194.583 -22.2459 194.584 -51.767 -16.7968 -22.2463 -16.7967 151.821 GPRESSURE: 565600 -304.295 162.333 90.931 148.753 -95.3986 -14.1393 -23.0533 8.07063 163.777 PRESSAVG: 565600 31.8082 -33.8575 38.887 -33.8576 -37.2475 8.4055 38.887 8.40553 -6.091 GPRESSAVG: 565600 32.6108 -32.809 38.7976 -34.5436 -38.0523 7.55151 40.1809 6.16477 -6.19056 TIMING: 565600 CPU: 1845.97, 0.00313541/step Wall: 1845.97, 0.00313541/step, 3.86213 hours remaining, 233.199219 MB of memory in use. ENERGY: 565600 3953.5616 20422.4614 14430.3609 246.0629 -203173.8771 2438.9783 0.0000 0.0000 52001.6630 -109680.7891 298.8543 -161682.4521 -109322.6983 298.5185 -98.8312 -78.6389 761613.4371 -3.8434 -3.8774 PRESSURE: 565800 1.51139 15.8739 86.2256 15.8741 -466.912 227.553 86.2252 227.552 211.676 GPRESSURE: 565800 -27.5108 151.569 123.749 -84.185 -354.861 209.121 -4.37868 288.521 210.434 PRESSAVG: 565800 1.74991 -54.1928 42.7502 -54.1928 5.42233 20.7154 42.7502 20.7154 -13.4873 GPRESSAVG: 565800 0.522211 -55.4461 43.8586 -52.7316 7.0563 21.2609 41.1311 22.2932 -13.7205 TIMING: 565800 CPU: 1846.6, 0.00311726/step Wall: 1846.6, 0.00311726/step, 3.8396 hours remaining, 233.199219 MB of memory in use. ENERGY: 565800 3988.0239 20505.1370 14469.1839 250.7051 -203661.8170 2679.6806 0.0000 0.0000 52049.8012 -109719.2852 299.1309 -161769.0864 -109366.4691 299.3333 -84.5748 -57.3125 760029.1204 -2.1050 -2.0473 PRESSURE: 566000 36.7325 273.844 60.1278 273.845 -266.944 -221.407 60.1282 -221.405 45.301 GPRESSURE: 566000 83.9024 161.954 -12.6894 314.46 -245.26 -173.666 83.3614 -255.589 75.4383 PRESSAVG: 566000 54.6677 -33.5626 -36.8067 -33.5626 -41.4839 28.1027 -36.8067 28.1028 11.6393 GPRESSAVG: 566000 56.9953 -34.4818 -37.6557 -32.3673 -42.7928 28.9179 -38.7391 26.9515 10.5857 TIMING: 566000 CPU: 1847.22, 0.00312672/step Wall: 1847.22, 0.00312672/step, 3.85108 hours remaining, 233.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 566000 3950.5100 20483.9626 14488.0785 244.4402 -203461.2994 2429.3651 0.0000 0.0000 52149.7072 -109715.2359 299.7051 -161864.9431 -109354.1235 298.9836 -61.6368 -28.6397 759076.2142 8.2744 8.2627 PRESSURE: 566200 80.9525 -184.128 207.683 -184.128 133.506 79.8715 207.682 79.8718 499.907 GPRESSURE: 566200 203.385 -51.0153 223.22 -259.972 178.4 96.1556 51.0475 -44.6272 442.629 PRESSAVG: 566200 -33.7389 -8.57613 -34.0201 -8.57617 26.5162 28.2829 -34.0201 28.2829 28.405 GPRESSAVG: 566200 -34.254 -7.39404 -33.3269 -11.262 26.8697 26.3299 -32.0104 28.7176 28.6622 TIMING: 566200 CPU: 1847.85, 0.00312872/step Wall: 1847.85, 0.00312872/step, 3.85336 hours remaining, 233.199219 MB of memory in use. ENERGY: 566200 3954.4400 20357.9075 14458.3119 230.7561 -203523.9828 2524.5170 0.0000 0.0000 52271.8442 -109726.2061 300.4070 -161998.0502 -109362.5681 299.0728 238.1218 274.8047 758944.3655 7.0608 7.0926 PRESSURE: 566400 -353.633 76.848 -85.5266 76.8481 -71.3039 -233.852 -85.5271 -233.852 -23.2884 GPRESSURE: 566400 -272.433 -28.3562 -227.574 133.192 -67.1526 -239.563 -71.4171 -218.548 -17.4819 PRESSAVG: 566400 -9.24517 -13.6854 13.6859 -13.6854 13.0912 3.55498 13.6859 3.55495 -19.7663 GPRESSAVG: 566400 -8.70317 -15.3837 11.7301 -12.4919 12.5292 3.82927 12.4397 4.01247 -19.8211 TIMING: 566400 CPU: 1848.48, 0.00315149/step Wall: 1848.48, 0.00315149/step, 3.88124 hours remaining, 233.199219 MB of memory in use. ENERGY: 566400 3889.6889 20405.8914 14426.6285 249.2942 -203105.2696 2214.5171 0.0000 0.0000 52155.8181 -109763.4314 299.7402 -161919.2495 -109394.0366 299.0900 -149.4084 -119.0225 761169.8849 -5.3068 -5.3317 PRESSURE: 566600 164.65 67.717 133.121 67.7173 -56.8987 62.9058 133.121 62.9056 -241.892 GPRESSURE: 566600 150.551 19.629 148.062 121.09 -19.5478 93.0118 23.7004 -4.4652 -182.426 PRESSAVG: 566600 -8.70187 -43.1478 14.5732 -43.1479 18.0549 45.3855 14.5732 45.3854 1.3506 GPRESSAVG: 566600 -9.02514 -40.5753 16.0617 -44.027 17.6341 46.4643 14.2261 44.8678 2.2332 TIMING: 566600 CPU: 1849.1, 0.00312704/step Wall: 1849.1, 0.00312704/step, 3.85095 hours remaining, 233.199219 MB of memory in use. ENERGY: 566600 3926.3182 20520.1341 14467.5420 249.3736 -203270.7773 2462.2791 0.0000 0.0000 51890.4355 -109754.6949 298.2150 -161645.1303 -109386.8663 298.8139 -44.7135 -17.1409 759964.1205 3.5679 3.6141 PRESSURE: 566800 112.828 -80.7693 -18.3214 -80.7703 46.3993 -20.6617 -18.3216 -20.6622 261.509 GPRESSURE: 566800 143.714 -78.6451 -32.6866 -93.8712 150.141 -117.235 115.654 -1.49963 228.709 PRESSAVG: 566800 14.2773 -38.178 41.3204 -38.1781 -10.6527 -16.9977 41.3204 -16.9977 14.4106 GPRESSAVG: 566800 13.653 -39.0607 40.9249 -35.0337 -10.1039 -18.1557 41.7479 -14.8304 14.4635 TIMING: 566800 CPU: 1849.74, 0.00315138/step Wall: 1849.74, 0.00315138/step, 3.88075 hours remaining, 233.402344 MB of memory in use. ENERGY: 566800 3973.6587 20441.4658 14469.5225 258.6389 -203372.6895 2383.6300 0.0000 0.0000 51968.9000 -109876.8735 298.6660 -161845.7735 -109516.0566 298.3342 140.2454 174.1880 758969.9643 6.0117 6.0042 PRESSURE: 567000 59.239 -130.034 353.8 -130.033 -187.054 -106.843 353.8 -106.843 0.531921 GPRESSURE: 567000 58.5982 -69.4532 331.97 -148.255 -87.7413 -180.902 307.701 105.562 -1.98184 PRESSAVG: 567000 26.5094 -29.3999 32.2812 -29.3999 -18.8296 -37.9286 32.2812 -37.9286 18.0284 GPRESSAVG: 567000 27.2147 -29.6445 33.2353 -31.774 -18.8761 -38.5707 33.0446 -37.3445 18.0739 TIMING: 567000 CPU: 1850.36, 0.003148/step Wall: 1850.36, 0.003148/step, 3.87642 hours remaining, 233.402344 MB of memory in use. ENERGY: 567000 3968.2437 20359.8462 14459.9243 247.0891 -202963.3284 2124.9693 0.0000 0.0000 51926.8279 -109876.4278 298.4242 -161803.2558 -109507.9521 298.3793 -42.4278 -10.3750 760829.3978 8.5694 8.8042 PRESSURE: 567200 -31.4585 50.155 4.04066 50.1548 287.609 101.1 4.03998 101.101 362.628 GPRESSURE: 567200 33.6946 -47.9367 -2.12382 102.567 299.705 172.653 -31.2068 50.1667 366.265 PRESSAVG: 567200 -30.4625 -5.83586 -14.5202 -5.8359 15.102 29.9751 -14.5202 29.975 -20.0845 GPRESSAVG: 567200 -30.7215 -5.08602 -15.6803 -6.27815 15.5222 31.4585 -16.1161 27.0792 -20.5028 TIMING: 567200 CPU: 1850.99, 0.00313071/step Wall: 1850.99, 0.00313071/step, 3.85495 hours remaining, 233.402344 MB of memory in use. ENERGY: 567200 3988.7668 20554.5839 14467.4238 231.4830 -203842.2857 2930.1898 0.0000 0.0000 51809.7302 -109860.1083 297.7512 -161669.8385 -109510.1087 298.2482 206.2594 233.2217 761260.0684 -11.8150 -11.9007 PRESSURE: 567400 -31.3791 79.9229 -119.685 79.9224 -122.324 -106.582 -119.685 -106.581 9.76189 GPRESSURE: 567400 -14.8059 40.7333 -72.7522 69.7402 -131.672 -123.558 -217.645 -148.303 70.6449 PRESSAVG: 567400 -10.1833 -62.5516 54.769 -62.5516 47.4813 33.0109 54.769 33.011 28.0041 GPRESSAVG: 567400 -9.24071 -63.8791 54.6522 -63.0646 46.431 32.837 55.7114 32.7945 28.5771 TIMING: 567400 CPU: 1851.61, 0.00311848/step Wall: 1851.61, 0.00311848/step, 3.83971 hours remaining, 233.402344 MB of memory in use. ENERGY: 567400 3911.0848 20671.8358 14444.3215 272.1999 -203286.4073 2398.2140 0.0000 0.0000 51785.4826 -109803.2687 297.6119 -161588.7513 -109455.9743 299.2801 -47.9805 -25.2777 760800.2254 21.7674 21.9224 PRESSURE: 567600 141.681 25.2925 46.5523 25.2927 -0.39392 -157.044 46.5527 -157.043 315.15 GPRESSURE: 567600 91.537 -107.213 3.35967 -2.65417 127.903 -194.315 86.8941 -98.436 315.625 PRESSAVG: 567600 -9.16891 -9.50746 25.7448 -9.50741 61.4283 -36.5013 25.7447 -36.5013 7.18186 GPRESSAVG: 567600 -10.6394 -9.42688 26.7452 -11.0892 64.0727 -36.7735 27.3279 -37.056 6.54656 TIMING: 567600 CPU: 1852.24, 0.00314954/step Wall: 1852.24, 0.00314954/step, 3.87779 hours remaining, 233.402344 MB of memory in use. ENERGY: 567600 3949.4400 20529.0071 14443.4953 269.4389 -203307.4598 2258.7389 0.0000 0.0000 52182.0062 -109675.3333 299.8907 -161857.3396 -109311.4398 298.9051 152.1457 178.3548 759467.0608 19.8137 19.9933 PRESSURE: 567800 -33.5294 -176.675 -25.5295 -176.675 -71.7922 -21.171 -25.5298 -21.1695 -277.38 GPRESSURE: 567800 21.5851 -215.766 -13.7635 -233.573 -12.3952 -52.0574 -142.743 10.6618 -317.275 PRESSAVG: 567800 16.0997 -20.8722 -54.7491 -20.8723 3.96754 -5.15587 -54.7491 -5.15588 5.87413 GPRESSAVG: 567800 17.9309 -19.734 -55.1013 -20.5982 2.78861 -6.85874 -56.9613 -2.88191 5.03385 TIMING: 567800 CPU: 1852.87, 0.00313799/step Wall: 1852.87, 0.00313799/step, 3.86339 hours remaining, 233.402344 MB of memory in use. ENERGY: 567800 4019.9897 20569.5530 14498.3135 250.5328 -203019.6202 2313.1434 0.0000 0.0000 51981.6904 -109386.3974 298.7395 -161368.0879 -109023.1543 299.3655 -127.5673 -102.6951 761964.3623 8.6471 8.5844 PRESSURE: 568000 242.491 31.82 51.2422 31.8195 400.774 63.2811 51.2431 63.2803 698.469 GPRESSURE: 568000 306.492 -23.8954 103.297 -107.221 437.524 84.5726 0.20699 50.5359 679.608 PRESSAVG: 568000 -22.1218 -57.6476 45.8287 -57.6476 46.9206 13.7463 45.8286 13.7464 -10.8089 GPRESSAVG: 568000 -22.5577 -59.1124 46.3879 -58.0189 46.6578 15.1764 44.4797 11.268 -10.3182 TIMING: 568000 CPU: 1853.5, 0.00313303/step Wall: 1853.5, 0.00313303/step, 3.85711 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 568000 3883.5008 20597.8041 14506.7471 241.0983 -203594.9641 2843.3212 0.0000 0.0000 52290.3566 -109232.1361 300.5134 -161522.4927 -108872.5374 299.5477 447.2447 474.5414 759768.7640 4.6633 4.5940 PRESSURE: 568200 75.5268 -195.465 -182.373 -195.464 -3.77379 -220.088 -182.373 -220.088 -156.727 GPRESSURE: 568200 87.813 -102.887 -188.304 -104.454 27.5268 -242.535 -25.7264 -146.471 -124.003 PRESSAVG: 568200 59.0887 -43.5226 -27.6841 -43.5226 -37.8803 -21.4515 -27.6841 -21.4516 9.4906 GPRESSAVG: 568200 59.133 -44.3603 -27.0032 -43.4469 -37.8814 -20.9211 -24.7458 -19.462 9.71143 TIMING: 568200 CPU: 1854.13, 0.00314974/step Wall: 1854.13, 0.00314974/step, 3.87751 hours remaining, 233.402344 MB of memory in use. ENERGY: 568200 4097.3982 20604.6478 14552.6722 238.4217 -203232.9362 2502.5534 0.0000 0.0000 52043.1832 -109194.0597 299.0929 -161237.2429 -108841.9405 300.2116 -28.3246 -2.8876 760357.4489 10.2330 10.3210 LDB: ============= START OF LOAD BALANCING ============== 1866.55 LDB: ============== END OF LOAD BALANCING =============== 1866.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1866.55 LDB: ============= START OF LOAD BALANCING ============== 1866.86 LDB: Largest compute 7074 load 0.032807 is 16.9% of average load 0.193631 LDB: Average compute 0.004364 is 2.3% of average load 0.193631 LDB: TIME 1866.87 LOAD: AVG 0.193631 MAX 0.211767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.641 MB LDB: TIME 1866.87 LOAD: AVG 0.193631 MAX 0.211767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: TIME 1866.87 LOAD: AVG 0.193631 MAX 0.211767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: ============== END OF LOAD BALANCING =============== 1866.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1866.87 PRESSURE: 568400 -66.8247 -55.346 228.286 -55.3467 -23.5369 -104.121 228.287 -104.121 -183.744 GPRESSURE: 568400 -19.8687 -103.651 101.365 28.6697 -50.2304 -95.3947 214.114 -130.089 -121.71 PRESSAVG: 568400 31.5033 0.906138 -31.2242 0.906139 -22.9249 -34.0437 -31.2241 -34.0436 11.9468 GPRESSAVG: 568400 31.6512 2.97634 -32.4767 2.23159 -22.6748 -35.6881 -31.9991 -32.0424 11.8045 TIMING: 568400 CPU: 1854.77, 0.00318793/step Wall: 1854.77, 0.00318793/step, 3.92434 hours remaining, 231.074219 MB of memory in use. ENERGY: 568400 4073.7595 20656.7406 14546.0992 272.1533 -203176.8195 2230.3506 0.0000 0.0000 52007.2979 -109390.4183 298.8867 -161397.7162 -109030.8370 300.0349 -91.3686 -63.9364 760230.2961 6.8417 6.9270 PRESSURE: 568600 239.736 183.645 -62.8821 183.645 -240.95 108.349 -62.8814 108.349 109.419 GPRESSURE: 568600 260.661 259.879 -1.90934 202.782 -183.297 153.674 60.8396 10.052 116.755 PRESSAVG: 568600 16.6284 -38.9954 -7.96435 -38.9954 -8.76456 -12.7432 -7.96431 -12.7432 -13.405 GPRESSAVG: 568600 14.8838 -38.377 -7.95786 -39.9018 -8.24674 -11.336 -6.40432 -15.9579 -13.0616 TIMING: 568600 CPU: 1855.39, 0.0031225/step Wall: 1855.39, 0.0031225/step, 3.84362 hours remaining, 231.074219 MB of memory in use. ENERGY: 568600 4065.2322 20478.7947 14484.8702 266.2548 -203536.7597 2770.7866 0.0000 0.0000 52108.4315 -109362.3897 299.4679 -161470.8212 -109003.5840 299.5945 36.0683 64.7064 759578.9526 -1.8471 -2.1415 PRESSURE: 568800 131.882 -242.977 123.932 -242.977 173.171 -24.9418 123.933 -24.9406 271.252 GPRESSURE: 568800 229.389 -257.764 89.8905 -143.179 158.773 -4.24332 111.077 54.0585 291.016 PRESSAVG: 568800 57.867 -54.7556 17.5566 -54.7556 -46.2584 12.5786 17.5567 12.5785 2.36861 GPRESSAVG: 568800 57.9963 -54.655 17.3641 -54.3835 -47.6712 13.5671 17.7922 13.5122 3.57131 TIMING: 568800 CPU: 1856.02, 0.00315585/step Wall: 1856.02, 0.00315585/step, 3.8845 hours remaining, 231.074219 MB of memory in use. ENERGY: 568800 3975.2335 20431.5486 14513.1131 265.3433 -203243.9174 2603.9052 0.0000 0.0000 51914.6162 -109540.1575 298.3540 -161454.7737 -109193.1501 299.2358 192.1016 226.3925 760406.1572 4.6591 4.6322 PRESSURE: 569000 -176.072 136.053 130.055 136.054 -411.283 181.133 130.056 181.132 -213.938 GPRESSURE: 569000 -67.4629 40.3783 164.919 110.276 -413.623 226.312 74.2159 157.739 -226.783 PRESSAVG: 569000 52.0124 -13.1333 11.1861 -13.1333 -20.3482 57.1942 11.1861 57.1943 -13.0747 GPRESSAVG: 569000 53.3278 -14.0327 11.0548 -14.0895 -19.4523 56.2112 9.28327 56.6511 -14.9976 TIMING: 569000 CPU: 1856.65, 0.00314933/step Wall: 1856.65, 0.00314933/step, 3.8763 hours remaining, 231.074219 MB of memory in use. ENERGY: 569000 4054.4057 20341.6824 14541.5762 246.2122 -203216.0213 2360.6824 0.0000 0.0000 52161.4621 -109510.0004 299.7726 -161671.4625 -109144.8065 299.5210 -267.0976 -235.9563 760417.7318 6.1965 6.2926 PRESSURE: 569200 48.403 -169.038 -210.208 -169.039 -18.6229 -10.1904 -210.207 -10.1912 -49.8239 GPRESSURE: 569200 116.155 -194.869 -232.423 -133.023 21.6705 -10.0532 -147.598 22.5017 -85.2638 PRESSAVG: 569200 -1.32653 -23.9254 -20.8589 -23.9255 -3.89416 -39.7899 -20.8589 -39.7899 8.24432 GPRESSAVG: 569200 -2.51862 -22.6659 -21.8069 -24.4344 -3.85722 -39.4942 -19.0227 -40.1435 8.85312 TIMING: 569200 CPU: 1857.28, 0.00312926/step Wall: 1857.28, 0.00312926/step, 3.85142 hours remaining, 231.074219 MB of memory in use. ENERGY: 569200 4009.4825 20584.3075 14494.2976 253.7193 -203149.5574 2472.0733 0.0000 0.0000 51984.6821 -109350.9951 298.7567 -161335.6772 -108997.7687 299.5791 -6.6813 17.5206 759681.6167 1.0079 0.8258 PRESSURE: 569400 61.4476 -238.828 -250.974 -238.827 145.015 -150.33 -250.974 -150.329 -341.804 GPRESSURE: 569400 43.6697 -256.204 -214.205 -242.916 203.246 -82.5283 -211.993 -66.8875 -298.062 PRESSAVG: 569400 42.293 -44.5529 -27.324 -44.5528 22.9912 -40.4587 -27.324 -40.4586 19.6714 GPRESSAVG: 569400 42.6647 -44.6746 -25.8553 -44.9431 23.0499 -40.591 -27.9898 -39.1231 18.944 TIMING: 569400 CPU: 1857.9, 0.00312365/step Wall: 1857.9, 0.00312365/step, 3.84435 hours remaining, 231.074219 MB of memory in use. ENERGY: 569400 3995.1781 20507.9954 14477.6389 225.9647 -203380.7093 2563.4543 0.0000 0.0000 52084.2714 -109526.2065 299.3290 -161610.4779 -109152.8584 299.7363 -45.1137 -17.0491 760750.0487 28.3185 28.2195 PRESSURE: 569600 -313.207 -16.4937 -134.135 -16.494 102.675 -77.071 -134.135 -77.0703 58.2423 GPRESSURE: 569600 -251.98 -31.8039 -148.162 -46.6973 44.8359 -100.356 -219.076 -59.568 143.492 PRESSAVG: 569600 -6.5192 -72.0374 -37.7295 -72.0374 24.9687 -5.83293 -37.7296 -5.83292 -3.41799 GPRESSAVG: 569600 -7.16718 -71.3981 -39.0614 -69.9585 24.6168 -5.44001 -38.2694 -7.79937 -2.43565 TIMING: 569600 CPU: 1858.53, 0.0031298/step Wall: 1858.53, 0.0031298/step, 3.85174 hours remaining, 231.074219 MB of memory in use. ENERGY: 569600 4007.8889 20457.4544 14434.0177 255.3928 -203128.5849 2591.9018 0.0000 0.0000 51770.0161 -109611.9131 297.5230 -161381.9293 -109258.9398 298.8290 -50.7633 -21.2175 760501.0606 5.0105 5.0046 PRESSURE: 569800 159.857 -130.397 45.7869 -130.397 93.7345 -285.278 45.7867 -285.277 32.2222 GPRESSURE: 569800 156.03 -125.819 73.9121 -174.695 130.291 -166.608 -42.8102 -387.642 112.904 PRESSAVG: 569800 -48.072 -89.6823 9.03702 -89.6822 49.8012 27.7306 9.03695 27.7305 10.2729 GPRESSAVG: 569800 -47.8792 -89.7644 10.4052 -90.9896 48.5661 26.9028 9.54669 29.8042 11.0638 TIMING: 569800 CPU: 1859.16, 0.00313727/step Wall: 1859.16, 0.00313727/step, 3.86076 hours remaining, 231.074219 MB of memory in use. ENERGY: 569800 3975.2951 20419.7118 14451.1753 238.4467 -203095.5752 2371.0593 0.0000 0.0000 51990.6248 -109649.2623 298.7908 -161639.8871 -109280.7640 299.2934 95.2712 133.0747 758970.5646 4.0007 3.9169 PRESSURE: 570000 -325.731 -125.091 -124.948 -125.092 -90.1797 -1.30979 -124.947 -1.31137 -77.1768 GPRESSURE: 570000 -359.92 38.7914 -138.577 -78.76 49.7373 -8.64118 2.83801 -33.7708 -94.7726 PRESSAVG: 570000 -24.1302 -55.6392 -35.2677 -55.6392 11.0467 57.1583 -35.2677 57.1582 1.84128 GPRESSAVG: 570000 -24.7723 -56.661 -36.7284 -55.5686 11.8089 56.9831 -37.7808 56.8542 1.44502 TIMING: 570000 CPU: 1859.78, 0.0031322/step Wall: 1859.78, 0.0031322/step, 3.85435 hours remaining, 231.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 570000 3918.7428 20496.1028 14472.4943 226.8301 -203337.0735 2381.0081 0.0000 0.0000 52163.0492 -109678.8462 299.7818 -161841.8954 -109317.1567 299.2271 -164.3626 -134.9851 761930.4843 -3.7474 -3.8395 PRESSURE: 570200 97.6785 -19.7488 -10.3309 -19.7485 -149.701 -323.281 -10.3304 -323.281 315.596 GPRESSURE: 570200 185.374 -34.956 -55.6543 -33.0788 -155.31 -289.032 -47.5139 -201.096 337.847 PRESSAVG: 570200 -28.3381 -20.0881 -33.3269 -20.0881 11.6895 14.251 -33.327 14.251 -0.205006 GPRESSAVG: 570200 -27.5284 -19.7889 -32.9265 -20.149 11.4672 14.0014 -30.9615 14.5747 -0.749184 TIMING: 570200 CPU: 1860.4, 0.00311024/step Wall: 1860.4, 0.00311024/step, 3.82715 hours remaining, 231.074219 MB of memory in use. ENERGY: 570200 4047.9543 20387.0600 14424.5716 249.8249 -203601.0151 2594.3464 0.0000 0.0000 52236.9498 -109660.3082 300.2065 -161897.2579 -109302.8941 299.6079 87.8578 122.6370 761730.8776 -5.6179 -5.6035 PRESSURE: 570400 -144.016 188.272 -105.826 188.272 237.577 142.473 -105.827 142.473 -165.84 GPRESSURE: 570400 -72.5365 274.416 57.1666 103.92 218.847 162.393 -108.015 35.9679 -118.685 PRESSAVG: 570400 9.51821 -41.818 6.50234 -41.8179 -44.0144 5.34705 6.50235 5.3471 3.98501 GPRESSAVG: 570400 10.2911 -42.2627 8.56591 -40.0757 -42.9137 5.97705 3.15807 4.29555 3.01987 TIMING: 570400 CPU: 1861.03, 0.00312627/step Wall: 1861.03, 0.00312627/step, 3.84671 hours remaining, 231.074219 MB of memory in use. ENERGY: 570400 3972.9124 20429.0383 14395.7457 253.8396 -203342.1513 2499.0984 0.0000 0.0000 52099.0513 -109692.4655 299.4140 -161791.5169 -109337.6880 298.6439 -24.0930 9.2084 759979.1666 -10.1704 -9.8676 PRESSURE: 570600 71.5299 10.6797 7.05279 10.6785 86.3298 128.424 7.05198 128.424 -85.2973 GPRESSURE: 570600 153.46 12.6443 22.1945 -49.6623 94.03 170.346 13.5842 286.814 -116.494 PRESSAVG: 570600 13.6508 -2.10417 -36.8188 -2.10418 -7.96541 29.7267 -36.8188 29.7268 -33.0453 GPRESSAVG: 570600 14.516 -2.34776 -38.1451 -2.80871 -8.03872 30.8465 -35.1108 31.2345 -34.0936 TIMING: 570600 CPU: 1861.65, 0.00312326/step Wall: 1861.65, 0.00312326/step, 3.84282 hours remaining, 231.074219 MB of memory in use. ENERGY: 570600 4040.1080 20503.5374 14383.3530 237.2862 -203419.4385 2550.8603 0.0000 0.0000 51933.7392 -109770.5543 298.4639 -161704.2935 -109416.0070 298.6593 24.1875 43.6653 760902.1191 -9.1200 -9.2054 PRESSURE: 570800 -299.02 -1.93079 -66.5379 -1.93172 310.971 -287.419 -66.5386 -287.42 -168.546 GPRESSURE: 570800 -331.098 1.83586 -113.758 -47.4616 358.47 -251.045 -71.834 -334.035 -129.765 PRESSAVG: 570800 -35.0966 -17.4969 -8.77841 -17.4969 17.168 5.59186 -8.77836 5.59193 10.3982 GPRESSAVG: 570800 -37.0049 -16.3577 -10.004 -17.899 18.1936 5.01313 -6.12503 4.38795 11.4148 TIMING: 570800 CPU: 1862.28, 0.00314212/step Wall: 1862.28, 0.00314212/step, 3.86586 hours remaining, 231.277344 MB of memory in use. ENERGY: 570800 4009.9054 20469.5685 14406.7939 236.6509 -203478.4987 2444.9219 0.0000 0.0000 52035.3747 -109875.2833 299.0480 -161910.6580 -109507.9509 298.5752 -52.1984 -34.1309 760984.6035 -2.5101 -2.4655 PRESSURE: 571000 299.188 -29.6676 -30.3813 -29.6686 22.4907 -270.616 -30.3807 -270.616 22.3506 GPRESSURE: 571000 354.752 8.23126 -40.0016 -179.027 120.023 -257.191 -148.248 -342.445 -52.6804 PRESSAVG: 571000 -29.2168 -34.3927 -25.4959 -34.3928 -4.43962 -21.3285 -25.4959 -21.3285 -6.51799 GPRESSAVG: 571000 -28.6166 -32.8943 -24.0554 -35.308 -4.54925 -20.3733 -28.9826 -20.9381 -6.85891 TIMING: 571000 CPU: 1862.91, 0.00313362/step Wall: 1862.91, 0.00313362/step, 3.85522 hours remaining, 231.277344 MB of memory in use. ENERGY: 571000 3957.2167 20370.4026 14361.3973 232.6613 -203562.9411 2775.6843 0.0000 0.0000 51913.4081 -109952.1707 298.3471 -161865.5788 -109595.6712 298.7234 114.6764 140.6985 760200.1508 -13.3915 -13.3416 PRESSURE: 571200 -201.194 17.7393 -371.301 17.7398 46.8749 212.563 -371.302 212.563 148.115 GPRESSURE: 571200 -145.982 45.1608 -413.189 35.3859 66.9803 181.948 -272.887 148.77 161.146 PRESSAVG: 571200 -19.4941 -42.1761 14.7732 -42.176 21.647 -3.11254 14.7732 -3.1125 -8.66601 GPRESSAVG: 571200 -19.7627 -43.6529 13.1602 -41.9587 21.7254 -3.04284 16.1494 -4.22512 -8.4305 TIMING: 571200 CPU: 1863.54, 0.00313776/step Wall: 1863.54, 0.00313776/step, 3.86015 hours remaining, 231.277344 MB of memory in use. ENERGY: 571200 4046.3950 20357.4497 14472.8425 234.2689 -203314.5143 2529.1231 0.0000 0.0000 51835.5789 -109838.8562 297.8998 -161674.4351 -109489.3889 298.5834 -2.0683 27.3816 760604.1906 -2.1710 -2.1560 PRESSURE: 571400 -250.119 -194.191 37.8788 -194.191 -335.525 285.673 37.8789 285.672 24.473 GPRESSURE: 571400 -195.223 -111.119 39.014 -184.656 -302.159 304.144 31.147 298.361 31.3783 PRESSAVG: 571400 -33.6733 -32.5764 -22.4952 -32.5765 17.5469 80.2862 -22.4952 80.2862 7.37811 GPRESSAVG: 571400 -32.5977 -32.4456 -21.4246 -32.58 17.597 80.6551 -23.4508 82.1655 6.57625 TIMING: 571400 CPU: 1864.16, 0.00312273/step Wall: 1864.16, 0.00312273/step, 3.84148 hours remaining, 231.277344 MB of memory in use. ENERGY: 571400 4117.8205 20526.4716 14471.8765 251.3864 -203584.9138 2605.2116 0.0000 0.0000 51888.5304 -109723.6169 298.2041 -161612.1473 -109362.9832 298.6993 -187.0570 -155.3345 761113.0366 -2.9161 -2.8081 PRESSURE: 571600 19.284 -12.3691 -66.2326 -12.3692 213.752 5.6448 -66.233 5.64441 382.293 GPRESSURE: 571600 34.2436 70.4321 -38.0393 -90.9291 223.703 -8.2555 -13.1062 -16.4915 422.365 PRESSAVG: 571600 3.25095 -103.264 7.15716 -103.264 -1.3396 18.5777 7.15714 18.5777 11.9973 GPRESSAVG: 571600 3.00131 -104.366 8.70898 -103.261 -1.89128 19.02 8.14529 14.8096 12.6303 TIMING: 571600 CPU: 1864.79, 0.00312705/step Wall: 1864.79, 0.00312705/step, 3.84662 hours remaining, 231.277344 MB of memory in use. ENERGY: 571600 3962.7193 20455.8046 14362.5399 258.5814 -203303.2274 2541.6946 0.0000 0.0000 51861.0618 -109860.8257 298.0462 -161721.8876 -109503.9065 298.6004 205.1094 226.7706 761187.5914 4.6362 4.5801 PRESSURE: 571800 -62.7312 -120.929 15.7396 -120.928 -328.15 -247.249 15.7398 -247.249 155.156 GPRESSURE: 571800 8.67225 -45.0519 34.7966 -102.882 -278.999 -248.196 78.3663 -115.188 120.36 PRESSAVG: 571800 43.3102 -71.1945 -0.0171847 -71.1945 -39.7297 59.0704 -0.0171659 59.0704 18.0495 GPRESSAVG: 571800 42.7395 -71.9706 -1.13394 -68.9774 -38.8935 58.0398 -0.335253 61.4542 17.8872 TIMING: 571800 CPU: 1865.41, 0.0031212/step Wall: 1865.41, 0.0031212/step, 3.83925 hours remaining, 231.277344 MB of memory in use. ENERGY: 571800 4020.6168 20503.2112 14539.3232 237.4829 -203212.8903 2375.8609 0.0000 0.0000 51579.6345 -109956.7607 296.4289 -161536.3952 -109609.1135 298.3794 -78.5750 -49.9892 760336.9480 7.2100 7.2444 PRESSURE: 572000 -18.6379 -5.37016 -204.571 -5.3704 -220.778 199.488 -204.571 199.488 250.338 GPRESSURE: 572000 -25.8896 -9.19566 -237.698 -72.0363 -61.0937 156.345 -196.633 44.9562 186.826 PRESSAVG: 572000 81.7641 -63.1228 3.5329 -63.1228 -87.858 13.7796 3.53288 13.7796 -1.81465 GPRESSAVG: 572000 82.2455 -62.3111 4.75546 -65.5521 -88.0976 13.4758 3.15917 14.9752 -2.26382 TIMING: 572000 CPU: 1866.04, 0.00312397/step Wall: 1866.04, 0.00312397/step, 3.84249 hours remaining, 231.277344 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: 572000 4028.7823 20466.5296 14517.4767 239.1061 -203635.9953 2737.1353 0.0000 0.0000 51953.8504 -109693.1148 298.5795 -161646.9652 -109334.8560 298.6691 3.6407 33.2808 759469.3973 -2.6362 -2.7053 PRESSURE: 572200 -25.5381 80.2711 105.623 80.2713 29.2035 -77.1883 105.623 -77.1882 111.755 GPRESSURE: 572200 25.338 107.537 168.088 104.038 128.039 -147.248 164.314 -180.618 67.3843 PRESSAVG: 572200 2.3199 -83.9339 29.1764 -83.9339 -10.4327 -3.54673 29.1764 -3.54681 30.5512 GPRESSAVG: 572200 2.4736 -81.273 28.0806 -83.0946 -10.8864 -3.4747 29.5516 -5.47736 31.352 TIMING: 572200 CPU: 1866.66, 0.00312504/step Wall: 1866.66, 0.00312504/step, 3.84363 hours remaining, 231.277344 MB of memory in use. ENERGY: 572200 3998.1074 20455.9223 14552.8329 241.3757 -203450.5871 2557.1762 0.0000 0.0000 52065.8348 -109579.3378 299.2231 -161645.1726 -109217.1772 299.2613 38.4736 73.5872 759027.8805 7.4795 7.6464 LDB: ============= START OF LOAD BALANCING ============== 1879.08 LDB: ============== END OF LOAD BALANCING =============== 1879.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1879.08 LDB: ============= START OF LOAD BALANCING ============== 1879.4 LDB: Largest compute 7074 load 0.033425 is 17.1% of average load 0.195047 LDB: Average compute 0.004401 is 2.3% of average load 0.195047 LDB: TIME 1879.4 LOAD: AVG 0.195047 MAX 0.230799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.656 MB LDB: TIME 1879.4 LOAD: AVG 0.195047 MAX 0.230799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.859 MB LDB: TIME 1879.4 LOAD: AVG 0.195047 MAX 0.217459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.859 MB LDB: ============== END OF LOAD BALANCING =============== 1879.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1879.41 PRESSURE: 572400 83.9249 173.334 34.8505 173.333 -8.48245 18.6389 34.8506 18.6405 71.2671 GPRESSURE: 572400 72.0339 76.9716 53.2086 82.4863 120.244 -33.055 -12.0816 21.8961 46.1877 PRESSAVG: 572400 -11.1879 -1.36822 31.0968 -1.36819 37.5965 19.7472 31.0968 19.7472 2.06927 GPRESSAVG: 572400 -11.4083 -3.51501 30.189 -2.28829 38.8366 18.9411 30.3671 20.4698 1.34389 TIMING: 572400 CPU: 1867.3, 0.00320134/step Wall: 1867.3, 0.00320134/step, 3.93729 hours remaining, 231.328125 MB of memory in use. ENERGY: 572400 3998.5096 20480.5210 14511.5030 234.2845 -203176.9499 2285.5528 0.0000 0.0000 52132.9019 -109533.6770 299.6085 -161666.5788 -109178.6218 299.6541 48.9032 79.4885 761200.1954 9.4926 9.5907 PRESSURE: 572600 55.0149 -78.1973 -152.418 -78.1962 -342.456 252.399 -152.417 252.4 -361.85 GPRESSURE: 572600 -20.7595 19.4808 -138.881 -103.729 -268.047 247.484 -136.726 222.607 -275.144 PRESSAVG: 572600 3.66198 -43.8059 -4.09528 -43.806 -80.7183 47.312 -4.0953 47.312 -32.7483 GPRESSAVG: 572600 4.52666 -43.4241 -4.138 -45.7365 -81.5088 46.2664 -4.71636 46.6936 -32.9409 TIMING: 572600 CPU: 1867.93, 0.0031204/step Wall: 1867.93, 0.0031204/step, 3.83757 hours remaining, 231.328125 MB of memory in use. ENERGY: 572600 4085.4844 20561.3586 14500.2848 256.9921 -203236.1708 2296.6058 0.0000 0.0000 51972.7332 -109562.7119 298.6880 -161535.4451 -109200.3735 299.2328 -216.4303 -187.9835 760583.3357 -36.6016 -36.6410 PRESSURE: 572800 -347.172 -168.995 51.1294 -168.995 15.8763 9.41579 51.1294 9.41444 -95.5586 GPRESSURE: 572800 -290.017 -126.349 89.2585 -213.175 57.1297 40.5637 -15.2601 59.8354 -108.373 PRESSAVG: 572800 -6.98992 -34.8764 25.1112 -34.8763 -15.8232 -23.4919 25.1112 -23.4919 -0.456373 GPRESSAVG: 572800 -8.09138 -37.5138 24.996 -34.0319 -16.3015 -21.1267 27.6063 -24.7832 0.681134 TIMING: 572800 CPU: 1868.55, 0.00311893/step Wall: 1868.55, 0.00311893/step, 3.83559 hours remaining, 231.585938 MB of memory in use. ENERGY: 572800 3875.5869 20539.8329 14483.5222 264.7192 -203830.4241 2770.9013 0.0000 0.0000 52103.7443 -109792.1173 299.4409 -161895.8616 -109426.0915 299.2574 -142.2846 -113.7533 760536.2317 -7.7565 -7.9039 PRESSURE: 573000 78.5133 17.2443 -39.0667 17.2442 -6.27022 -80.2853 -39.0669 -80.2857 58.405 GPRESSURE: 573000 70.2269 -2.54337 -116.813 153.314 58.2461 -94.2842 125.533 -8.86043 82.3709 PRESSAVG: 573000 -58.8123 -104.652 23.3777 -104.652 15.6106 52.7874 23.3777 52.7873 -16.4284 GPRESSAVG: 573000 -58.9485 -103.88 23.1064 -102.751 15.4512 52.956 23.519 53.3597 -16.4189 TIMING: 573000 CPU: 1869.18, 0.00313606/step Wall: 1869.18, 0.00313606/step, 3.85648 hours remaining, 231.585938 MB of memory in use. ENERGY: 573000 3951.5578 20451.0918 14473.2644 251.6919 -203854.7100 2970.9298 0.0000 0.0000 52080.5925 -109675.5818 299.3079 -161756.1743 -109302.3944 298.9206 43.5493 70.2813 761994.1980 -19.8767 -19.9721 PRESSURE: 573200 -16.3119 -215.094 19.9657 -215.094 -327.601 93.763 19.9652 93.7632 -268.876 GPRESSURE: 573200 -6.06715 -172.26 -30.077 -248.926 -238.036 68.7769 52.5387 112.124 -301.647 PRESSAVG: 573200 -7.66821 -62.6649 21.927 -62.6649 10.5502 77.6575 21.9269 77.6575 9.37091 GPRESSAVG: 573200 -7.95526 -60.997 22.7852 -60.7918 10.3038 77.6904 21.7817 77.9651 9.2329 TIMING: 573200 CPU: 1869.81, 0.00315707/step Wall: 1869.81, 0.00315707/step, 3.88214 hours remaining, 231.585938 MB of memory in use. ENERGY: 573200 4019.0201 20472.5032 14527.7451 242.2803 -203523.1358 2498.7463 0.0000 0.0000 52176.5658 -109586.2750 299.8594 -161762.8408 -109219.9104 299.1309 -204.2629 -181.9168 761656.2402 4.0843 3.8605 PRESSURE: 573400 172.43 178.835 -66.0591 178.835 65.6263 -485.57 -66.0588 -485.569 230.814 GPRESSURE: 573400 170.135 152.319 -44.444 164.843 198.083 -367.011 -87.4688 -483.731 210.982 PRESSAVG: 573400 9.95788 -19.0967 -74.9206 -19.0968 -22.8188 36.251 -74.9206 36.251 -0.6319 GPRESSAVG: 573400 10.5044 -19.1646 -76.804 -22.1537 -22.8402 36.0716 -76.0103 35.2896 -0.89986 TIMING: 573400 CPU: 1870.44, 0.00313917/step Wall: 1870.44, 0.00313917/step, 3.85996 hours remaining, 231.585938 MB of memory in use. ENERGY: 573400 4044.7725 20598.8738 14478.6037 249.0954 -203668.2854 2697.2600 0.0000 0.0000 52032.5234 -109567.1567 299.0316 -161599.6801 -109215.6313 299.1489 156.2903 193.0669 760871.9427 -4.4976 -4.4119 PRESSURE: 573600 -471.694 16.7032 2.45301 16.7037 -316.861 -149.932 2.45219 -149.932 -124.565 GPRESSURE: 573600 -361.644 57.4815 31.6273 -30.3923 -279.54 -183.204 -53.0393 -87.4021 -169.286 PRESSAVG: 573600 15.1333 8.80943 4.29792 8.80943 29.8972 4.81587 4.29789 4.8159 -3.14162 GPRESSAVG: 573600 14.0668 7.99129 6.10342 8.29565 29.5243 2.73644 5.0286 5.03831 -1.51245 TIMING: 573600 CPU: 1871.06, 0.00312814/step Wall: 1871.06, 0.00312814/step, 3.84622 hours remaining, 231.585938 MB of memory in use. ENERGY: 573600 3956.1358 20467.3073 14488.7701 255.9023 -203628.1752 2600.1504 0.0000 0.0000 52145.3405 -109714.5688 299.6800 -161859.9093 -109351.1803 299.0882 -304.3734 -270.1568 761688.9528 13.9630 14.0262 PRESSURE: 573800 103.268 -84.1731 14.0818 -84.1729 53.124 382.449 14.0818 382.449 302.051 GPRESSURE: 573800 218.217 -165.387 11.2751 -27.7192 140.502 368.951 7.94898 297.831 202.184 PRESSAVG: 573800 29.1898 -26.1449 68.011 -26.1449 4.32512 -3.85483 68.0109 -3.8548 -0.975669 GPRESSAVG: 573800 29.819 -25.5192 69.6585 -25.8857 4.37401 -2.1181 67.7406 -3.79503 -1.90729 TIMING: 573800 CPU: 1871.69, 0.00312211/step Wall: 1871.69, 0.00312211/step, 3.83863 hours remaining, 231.585938 MB of memory in use. ENERGY: 573800 3977.0664 20580.7734 14464.4557 268.0360 -204001.4842 2879.1598 0.0000 0.0000 52172.1365 -109659.8564 299.8340 -161831.9929 -109289.9499 299.4410 152.8146 186.9679 758792.4366 10.8464 10.7619 PRESSURE: 574000 -364.409 94.0666 -38.4945 94.0668 -164.96 52.3664 -38.4951 52.3667 414.204 GPRESSURE: 574000 -313.576 97.0283 71.6357 -19.7964 -141.415 68.627 -108.097 97.5168 429.224 PRESSAVG: 574000 -23.8804 -11.8968 73.0962 -11.8968 23.4097 38.146 73.0962 38.1459 -5.50974 GPRESSAVG: 574000 -23.9731 -8.27395 73.3392 -10.9275 23.93 39.1514 73.7778 40.2865 -5.43406 TIMING: 574000 CPU: 1872.31, 0.00312802/step Wall: 1872.31, 0.00312802/step, 3.84572 hours remaining, 231.585938 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: 574000 4025.6525 20463.3441 14492.7347 246.7779 -203309.6141 2718.2373 0.0000 0.0000 51963.7197 -109399.1477 298.6362 -161362.8674 -109039.5087 299.3776 -38.3886 -8.5889 760455.1644 -1.9935 -1.8257 PRESSURE: 574200 62.6288 -517.545 10.5957 -517.545 -33.1519 -186.256 10.5963 -186.255 -194.956 GPRESSURE: 574200 90.6499 -541.824 -69.5603 -439.626 33.9176 -244.045 -44.6835 -140.308 -172.979 PRESSAVG: 574200 14.5835 -14.7371 -34.7649 -14.737 -75.8571 10.2915 -34.7649 10.2914 18.0488 GPRESSAVG: 574200 13.5987 -17.5506 -37.1405 -13.4955 -75.7463 8.79102 -35.6329 10.5292 18.3613 TIMING: 574200 CPU: 1872.93, 0.00311486/step Wall: 1872.93, 0.00311486/step, 3.82938 hours remaining, 231.585938 MB of memory in use. ENERGY: 574200 3941.2221 20571.2035 14466.3731 229.8917 -203496.2661 2704.1962 0.0000 0.0000 52059.9780 -109523.4015 299.1894 -161583.3796 -109159.3018 299.3849 -55.1597 -16.1372 759439.0139 -14.4083 -14.5954 PRESSURE: 574400 -10.827 113.585 122.763 113.585 -141.199 20.0004 122.763 20.0006 8.04856 GPRESSURE: 574400 -21.3416 223.128 69.1453 -105.416 -29.442 11.2149 -9.93156 -43.252 -1.01741 PRESSAVG: 574400 3.92859 14.6303 -28.9097 14.6303 -2.97022 47.7441 -28.9098 47.7441 -18.024 GPRESSAVG: 574400 4.16467 15.651 -30.1064 13.57 -3.37511 49.7274 -27.4165 45.1362 -17.9577 TIMING: 574400 CPU: 1873.56, 0.00312103/step Wall: 1873.56, 0.00312103/step, 3.83679 hours remaining, 231.585938 MB of memory in use. ENERGY: 574400 3953.3800 20519.0907 14499.7956 255.5916 -203425.5476 2575.4117 0.0000 0.0000 52079.4404 -109542.8377 299.3013 -161622.2781 -109178.0522 299.1706 -47.9923 -17.2670 761727.2818 -5.6885 -5.7227 PRESSURE: 574600 -106.69 -102.574 140.058 -102.574 -308.341 -116.706 140.059 -116.705 -108.997 GPRESSURE: 574600 -95.6671 -234.117 239.898 -163.167 -253.429 -32.5166 120.556 -0.32525 -75.9348 PRESSAVG: 574600 47.5331 -16.2967 -22.9441 -16.2967 -12.972 39.5627 -22.9441 39.5628 -0.852998 GPRESSAVG: 574600 47.1113 -19.3011 -18.6495 -15.6391 -12.3929 39.8452 -22.5963 39.942 -0.995516 TIMING: 574600 CPU: 1874.18, 0.00312201/step Wall: 1874.18, 0.00312201/step, 3.83781 hours remaining, 231.585938 MB of memory in use. ENERGY: 574600 3955.6046 20492.8716 14587.8265 219.9132 -203460.5132 2530.1611 0.0000 0.0000 52096.0543 -109578.0820 299.3967 -161674.1363 -109217.6970 299.5658 -174.6759 -141.6769 760559.6236 11.2360 11.2410 PRESSURE: 574800 92.7648 -58.8717 32.4345 -58.8712 133.999 256.397 32.4344 256.397 -340.528 GPRESSURE: 574800 130.573 -84.9598 31.2678 -9.75003 134.871 251.346 92.3237 176.375 -289.082 PRESSAVG: 574800 19.4285 15.0036 46.0359 15.0036 -31.091 10.6328 46.036 10.6329 -30.5843 GPRESSAVG: 574800 20.9533 17.6102 42.574 12.908 -31.9155 9.17743 44.0922 11.3422 -31.0575 TIMING: 574800 CPU: 1874.8, 0.00310899/step Wall: 1874.8, 0.00310899/step, 3.82163 hours remaining, 231.585938 MB of memory in use. ENERGY: 574800 3947.1484 20375.1376 14455.2275 245.2773 -203709.6222 2840.8015 0.0000 0.0000 52073.3001 -109772.7298 299.2660 -161846.0299 -109413.3902 298.7795 -37.9212 -7.8792 760569.4143 -14.0823 -14.0066 PRESSURE: 575000 249.441 158.378 -42.8891 158.38 -86.8152 8.06006 -42.8883 8.05983 -52.6559 GPRESSURE: 575000 248.632 130.3 -19.5226 135.952 -40.1831 57.7125 -8.13942 156.348 -6.44724 PRESSAVG: 575000 51.7229 -18.4481 -3.97744 -18.4481 -90.1594 19.5862 -3.97738 19.5861 -5.30828 GPRESSAVG: 575000 50.469 -19.1977 -2.45519 -16.752 -89.4471 18.9997 -2.90384 17.6051 -4.80684 TIMING: 575000 CPU: 1875.43, 0.003112/step Wall: 1875.43, 0.003112/step, 3.82517 hours remaining, 231.585938 MB of memory in use. ENERGY: 575000 3972.6494 20423.7833 14453.7793 248.0197 -203898.2834 2720.2923 0.0000 0.0000 52059.2651 -110020.4942 299.1853 -162079.7593 -109657.6064 298.3986 36.6567 67.3340 760758.5015 -14.5816 -14.5950 PRESSURE: 575200 -82.2291 -214.366 33.8773 -214.365 21.2242 44.0447 33.8771 44.0436 273.525 GPRESSURE: 575200 42.5304 -263.087 73.9211 -115.069 -37.5368 37.3595 1.57343 68.2956 277.934 PRESSAVG: 575200 31.6138 -64.026 -18.2997 -64.026 -64.8057 14.2153 -18.2997 14.2152 7.9417 GPRESSAVG: 575200 32.6671 -64.6408 -18.7297 -62.1971 -66.2635 15.1266 -17.2053 15.2898 7.7476 TIMING: 575200 CPU: 1876.05, 0.00311685/step Wall: 1876.05, 0.00311685/step, 3.83096 hours remaining, 231.585938 MB of memory in use. ENERGY: 575200 3930.3518 20422.5308 14501.5504 252.8652 -203497.4941 2454.9394 0.0000 0.0000 52016.7274 -109918.5291 298.9408 -161935.2565 -109559.4004 298.2415 70.8399 94.3092 761568.6376 -8.4167 -8.6163 PRESSURE: 575400 -278.759 203.808 11.4109 203.809 -23.1854 -41.2699 11.4107 -41.2706 -201.468 GPRESSURE: 575400 -231.522 90.0147 -53.291 259.924 51.937 -53.5068 118.6 -205.564 -254.41 PRESSAVG: 575400 -19.2003 -26.2117 -14.1744 -26.2116 4.78413 42.1363 -14.1744 42.1363 -25.0307 GPRESSAVG: 575400 -20.9471 -26.9815 -13.3278 -24.4999 6.33315 41.4712 -15.8493 41.9384 -25.243 TIMING: 575400 CPU: 1876.67, 0.00312307/step Wall: 1876.67, 0.00312308/step, 3.83843 hours remaining, 231.585938 MB of memory in use. ENERGY: 575400 3954.3342 20610.3106 14455.2616 226.2620 -203498.3078 2636.7464 0.0000 0.0000 51667.9482 -109947.4449 296.9364 -161615.3931 -109588.5757 298.3815 -167.8041 -144.6648 760664.6241 -13.1490 -13.2856 PRESSURE: 575600 168.55 55.8841 -179.803 55.884 -170.742 -35.0174 -179.802 -35.0168 -15.5693 GPRESSURE: 575600 196.367 -1.7551 -131.221 67.4309 -220.917 -48.2426 -148.96 -43.7093 113.698 PRESSAVG: 575600 72.6254 -33.2453 -44.8599 -33.2453 -72.9248 -61.8109 -44.8599 -61.8108 0.307262 GPRESSAVG: 575600 74.0222 -33.2078 -46.8132 -37.2432 -74.393 -62.7443 -43.3121 -61.767 0.258305 TIMING: 575600 CPU: 1877.3, 0.00312422/step Wall: 1877.3, 0.00312422/step, 3.83967 hours remaining, 231.585938 MB of memory in use. ENERGY: 575600 3986.3770 20451.6694 14493.8243 246.3520 -203768.7109 2773.7651 0.0000 0.0000 51932.6708 -109884.0524 298.4578 -161816.7232 -109524.8964 298.2347 -5.9204 29.7163 760386.0495 0.0026 -0.0375 PRESSURE: 575800 -252.683 -157.81 -10.3862 -157.81 -239.681 146.846 -10.3866 146.847 -73.718 GPRESSURE: 575800 -236.342 -202.709 -95.8264 -79.116 -169.916 181.544 69.1681 -29.7054 -87.6626 PRESSAVG: 575800 -20.7003 -57.5703 -77.8919 -57.5703 -47.9094 -70.7586 -77.8919 -70.7585 -9.92601 GPRESSAVG: 575800 -21.7149 -57.7285 -79.0738 -56.5446 -48.6949 -69.6116 -78.8845 -71.5209 -8.33702 TIMING: 575800 CPU: 1877.92, 0.0031149/step Wall: 1877.92, 0.0031149/step, 3.82803 hours remaining, 231.585938 MB of memory in use. ENERGY: 575800 3978.7959 20396.9107 14547.2734 220.8823 -202905.5648 2034.7758 0.0000 0.0000 51930.8079 -109796.1189 298.4471 -161726.9268 -109431.0010 298.7559 -188.6941 -164.6400 762246.8169 -26.1786 -26.2489 PRESSURE: 576000 194.823 -185.162 160.446 -185.164 -347.581 166.329 160.446 166.329 139.73 GPRESSURE: 576000 252.693 -274.022 177.499 -230.291 -216.834 102.693 219.576 279.535 43.8961 PRESSAVG: 576000 55.389 -65.7165 25.8234 -65.7165 -53.3587 -9.27612 25.8234 -9.27612 25.065 GPRESSAVG: 576000 54.4095 -66.8603 29.4429 -67.0194 -51.1036 -10.1574 25.169 -8.13858 23.6114 TIMING: 576000 CPU: 1878.55, 0.00313031/step Wall: 1878.55, 0.00313031/step, 3.84681 hours remaining, 231.585938 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: 576000 3989.3919 20315.8510 14570.3174 253.7946 -203122.9860 2235.4572 0.0000 0.0000 51970.1532 -109788.0207 298.6732 -161758.1738 -109412.0998 298.6965 -4.3428 26.5851 760880.5881 9.0318 8.9724 PRESSURE: 576200 104.606 129.912 -159.016 129.912 -211.644 114.695 -159.016 114.695 -160.838 GPRESSURE: 576200 47.7294 59.9206 -31.9161 233.507 -181.063 78.8499 -174.284 89.2519 -58.3066 PRESSAVG: 576200 66.4612 -39.2431 60.6481 -39.2431 -25.8521 32.8862 60.6482 32.8861 6.41652 GPRESSAVG: 576200 67.1414 -36.6845 58.7451 -39.0112 -27.3442 32.9042 60.4365 31.7483 6.90641 TIMING: 576200 CPU: 1879.17, 0.00312071/step Wall: 1879.17, 0.00312071/step, 3.83484 hours remaining, 231.585938 MB of memory in use. ENERGY: 576200 4036.3740 20372.4712 14505.5447 238.5290 -203321.0994 2423.7969 0.0000 0.0000 51989.3142 -109755.0694 298.7833 -161744.3835 -109397.0118 298.3296 -89.2922 -63.8801 761370.8996 15.6752 15.5679 LDB: ============= START OF LOAD BALANCING ============== 1891.59 LDB: ============== END OF LOAD BALANCING =============== 1891.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1891.59 LDB: ============= START OF LOAD BALANCING ============== 1891.91 LDB: Largest compute 7044 load 0.034846 is 17.9% of average load 0.195050 LDB: Average compute 0.004405 is 2.3% of average load 0.195050 LDB: TIME 1891.91 LOAD: AVG 0.19505 MAX 0.221374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1891.91 LOAD: AVG 0.19505 MAX 0.221374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.938 MB LDB: TIME 1891.91 LOAD: AVG 0.19505 MAX 0.217514 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.938 MB LDB: ============== END OF LOAD BALANCING =============== 1891.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1891.92 PRESSURE: 576400 269.922 -20.9926 -179.528 -20.9936 -13.7845 301.567 -179.53 301.566 -41.8118 GPRESSURE: 576400 319.885 31.1478 -97.7579 -43.827 -36.722 214.775 -108.059 316.131 18.1187 PRESSAVG: 576400 36.2669 -47.8595 -20.7534 -47.8594 -69.9341 20.8801 -20.7534 20.8801 -18.641 GPRESSAVG: 576400 37.0565 -46.6671 -19.4881 -46.4177 -69.7829 20.8055 -21.1365 21.3449 -19.2297 TIMING: 576400 CPU: 1879.81, 0.00318596/step Wall: 1879.81, 0.00318597/step, 3.91484 hours remaining, 232.277344 MB of memory in use. ENERGY: 576400 4028.4649 20409.5852 14587.7197 233.4086 -203409.0390 2617.8943 0.0000 0.0000 51784.0568 -109747.9097 297.6037 -161531.9665 -109389.7734 298.3420 71.4418 100.4272 761373.3662 -17.4360 -17.3187 PRESSURE: 576600 -33.5163 -137.411 204.6 -137.412 -120.123 -128.869 204.601 -128.869 125.318 GPRESSURE: 576600 -12.0259 -97.3863 245.13 -207.029 -73.9456 -196.349 121.738 -26.2304 156.05 PRESSAVG: 576600 35.5939 -30.0163 -0.595995 -30.0163 5.4328 44.2501 -0.596044 44.2501 -9.83026 GPRESSAVG: 576600 35.9533 -30.7959 -1.00798 -30.805 6.26585 44.0655 -0.347203 45.3684 -10.4463 TIMING: 576600 CPU: 1880.43, 0.00309947/step Wall: 1880.43, 0.00309947/step, 3.80839 hours remaining, 232.480469 MB of memory in use. ENERGY: 576600 3970.6457 20560.7941 14490.6466 245.6315 -203556.6611 2645.8719 0.0000 0.0000 51864.4490 -109778.6224 298.0657 -161643.0713 -109424.8629 298.6335 -9.4402 23.3595 760399.3820 10.3988 10.5910 PRESSURE: 576800 258.654 30.6379 67.7622 30.6379 -232.067 209.774 67.7618 209.774 -212.302 GPRESSURE: 576800 152.134 37.3183 -1.24349 60.0346 -75.0796 232.719 103.703 192.784 -188.706 PRESSAVG: 576800 0.747218 -26.2358 -52.1198 -26.2358 -42.4964 -19.4032 -52.1197 -19.4032 -4.67712 GPRESSAVG: 576800 -0.512526 -27.3781 -51.8423 -26.1106 -42.7801 -19.9936 -51.407 -22.6114 -3.40199 TIMING: 576800 CPU: 1881.05, 0.00310897/step Wall: 1881.05, 0.00310897/step, 3.81989 hours remaining, 232.882812 MB of memory in use. ENERGY: 576800 4012.4841 20435.6040 14477.8719 263.2013 -203714.7212 2734.4931 0.0000 0.0000 51963.5675 -109827.4994 298.6353 -161791.0669 -109464.9320 298.5769 -61.9050 -37.2172 760242.2061 -15.4754 -15.5649 PRESSURE: 577000 -46.216 -42.11 92.3684 -42.1096 368.291 -59.7202 92.3682 -59.7191 325.799 GPRESSURE: 577000 19.3489 43.9389 92.3512 -22.3499 476.257 -114.922 79.8325 -79.0889 245.886 PRESSAVG: 577000 -35.6962 -11.7987 12.7657 -11.7986 13.6025 -18.5261 12.7657 -18.5262 -0.0195844 GPRESSAVG: 577000 -34.3544 -10.733 12.0745 -11.1065 13.1037 -17.8411 12.4424 -16.2071 -0.700331 TIMING: 577000 CPU: 1881.67, 0.00310904/step Wall: 1881.67, 0.00310904/step, 3.8198 hours remaining, 232.882812 MB of memory in use. ENERGY: 577000 3903.6640 20406.4332 14527.4259 249.0532 -203326.3929 2576.6764 0.0000 0.0000 51953.1264 -109710.0138 298.5753 -161663.1403 -109343.9620 298.3255 215.9578 247.1639 761866.0179 -7.3711 -7.3170 PRESSURE: 577200 4.15208 -38.0077 97.1793 -38.0083 -199.964 -71.3782 97.179 -71.3792 -116.073 GPRESSURE: 577200 57.8715 -34.4042 119.361 -137.246 -175.791 -123.308 57.626 -63.325 -97.8931 PRESSAVG: 577200 -37.6442 -30.7805 -30.5626 -30.7805 56.2338 -30.9454 -30.5626 -30.9454 4.96185 GPRESSAVG: 577200 -37.1986 -30.8556 -31.9652 -30.6552 56.1272 -31.4625 -29.911 -31.9954 4.85401 TIMING: 577200 CPU: 1882.3, 0.00312082/step Wall: 1882.3, 0.00312082/step, 3.8341 hours remaining, 232.882812 MB of memory in use. ENERGY: 577200 3912.6812 20504.7131 14601.8991 241.3216 -203702.5833 2663.3439 0.0000 0.0000 52157.3695 -109621.2548 299.7491 -161778.6244 -109250.3500 299.5209 -103.9618 -71.9376 761577.6321 7.8505 7.9275 PRESSURE: 577400 -48.3169 19.3628 -116.464 19.3624 -161.495 -82.1376 -116.464 -82.1373 317.491 GPRESSURE: 577400 51.2902 116.549 -111.908 -14.5389 -178.023 -74.4206 -162.671 91.091 325.642 PRESSAVG: 577400 -20.1774 -33.8725 4.77009 -33.8726 18.7239 0.221541 4.77014 0.221535 -6.06168 GPRESSAVG: 577400 -20.9675 -34.064 5.1609 -34.1994 19.0353 1.78133 6.10559 0.950522 -5.80985 TIMING: 577400 CPU: 1882.92, 0.00309978/step Wall: 1882.92, 0.00309978/step, 3.80808 hours remaining, 232.882812 MB of memory in use. ENERGY: 577400 3935.6356 20459.6384 14565.3416 257.8428 -203923.8814 2894.4786 0.0000 0.0000 51809.3974 -110001.5471 297.7493 -161810.9445 -109634.2012 298.9935 35.8931 66.3030 761900.5491 -2.5051 -2.5807 PRESSURE: 577600 93.2978 -170.867 -64.843 -170.867 -376.937 47.4876 -64.8433 47.4867 43.7919 GPRESSURE: 577600 22.8598 -131.997 -69.8132 -6.41391 -256.232 18.5908 -110.685 74.8834 64.2343 PRESSAVG: 577600 -19.6235 -28.0897 -10.2847 -28.0897 3.37844 44.9254 -10.2846 44.9254 23.4275 GPRESSAVG: 577600 -19.78 -27.9549 -9.28998 -26.3612 4.85458 44.8227 -10.8666 46.4341 22.4433 TIMING: 577600 CPU: 1883.54, 0.00312719/step Wall: 1883.54, 0.00312719/step, 3.84158 hours remaining, 232.882812 MB of memory in use. ENERGY: 577600 3959.7755 20518.5670 14460.7641 248.9290 -203542.7050 2661.7555 0.0000 0.0000 52023.5899 -109669.3241 298.9803 -161692.9140 -109306.1902 299.0471 -79.9492 -56.3793 759447.2239 2.3941 2.5060 PRESSURE: 577800 -485.751 -112.235 -5.28868 -112.235 -382.329 -20.5641 -5.28919 -20.5646 -132.227 GPRESSURE: 577800 -457.82 -171.705 27.6405 -171.968 -301.974 -73.0436 118.41 98.6826 -137.08 PRESSAVG: 577800 -1.34366 -38.3446 43.5454 -38.3446 -3.35959 36.3552 43.5454 36.3552 -2.57013 GPRESSAVG: 577800 -1.96109 -37.8089 45.1318 -41.1306 -3.88671 35.9303 44.4824 34.7965 -1.9832 TIMING: 577800 CPU: 1884.17, 0.00311556/step Wall: 1884.17, 0.00311556/step, 3.82711 hours remaining, 232.882812 MB of memory in use. ENERGY: 577800 3964.7913 20464.3506 14429.2836 235.7351 -203193.6774 2197.8072 0.0000 0.0000 52001.3882 -109900.3214 298.8527 -161901.7096 -109535.7720 298.9294 -333.4354 -298.9581 761510.1922 -2.4245 -2.6103 PRESSURE: 578000 284.862 -11.3552 98.1764 -11.3555 54.5883 18.8476 98.1765 18.8492 278.301 GPRESSURE: 578000 351.435 -72.2887 45.1885 -18.9041 -13.2079 119.193 136.23 44.5895 364.159 PRESSAVG: 578000 27.755 -12.5539 -23.6905 -12.5539 -58.6011 39.9111 -23.6906 39.9111 29.7194 GPRESSAVG: 578000 28.1876 -12.8748 -25.5854 -12.0443 -58.7813 39.1229 -23.9532 38.4403 29.1863 TIMING: 578000 CPU: 1884.79, 0.00314342/step Wall: 1884.79, 0.00314342/step, 3.86117 hours remaining, 232.882812 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: 578000 3955.4990 20555.4546 14471.4073 230.6376 -203225.1503 2510.5139 0.0000 0.0000 51535.6739 -109965.9641 296.1762 -161501.6380 -109618.5584 298.2913 205.9171 234.1287 760260.4426 -0.3756 -0.4691 PRESSURE: 578200 -130.226 -192.557 -67.1648 -192.557 471.745 21.5171 -67.1639 21.5164 115.393 GPRESSURE: 578200 16.5318 -261.733 -4.55116 -146.94 341.633 93.9215 -126.777 -8.0357 186.272 PRESSAVG: 578200 3.10454 -52.4698 -4.81105 -52.4698 -11.1481 2.99502 -4.81116 2.99509 26.75 GPRESSAVG: 578200 2.69933 -54.7115 -3.6143 -52.8926 -11.0961 4.12306 -6.26236 3.55804 27.0122 TIMING: 578200 CPU: 1885.42, 0.00314906/step Wall: 1885.42, 0.00314906/step, 3.86791 hours remaining, 232.882812 MB of memory in use. ENERGY: 578200 3891.5180 20425.4533 14466.6386 263.2685 -203620.2479 2637.5395 0.0000 0.0000 52019.9825 -109915.8475 298.9596 -161935.8300 -109560.1067 297.9766 152.3043 181.4791 760934.4458 6.2355 6.2051 PRESSURE: 578400 232.653 -8.59926 -290.607 -8.59889 -77.6283 28.6536 -290.608 28.6527 74.3098 GPRESSURE: 578400 230.155 -119.484 -291.39 32.0481 -81.5427 20.6208 -310.577 -27.8219 181.251 PRESSAVG: 578400 -17.0082 -39.7052 -57.9792 -39.7052 -2.91262 -32.641 -57.9792 -32.6409 8.98848 GPRESSAVG: 578400 -16.5491 -37.8907 -57.647 -41.3897 -3.69351 -32.808 -56.4999 -32.5565 9.28537 TIMING: 578400 CPU: 1886.05, 0.00313348/step Wall: 1886.05, 0.00313348/step, 3.84861 hours remaining, 232.882812 MB of memory in use. ENERGY: 578400 4055.2772 20461.2176 14466.5535 250.5589 -203537.6237 2602.8092 0.0000 0.0000 52083.5514 -109617.6560 299.3249 -161701.2074 -109264.3375 298.8676 76.4447 109.9543 760228.7175 -3.6441 -3.6524 PRESSURE: 578600 74.4714 -160.626 169.999 -160.626 533.66 -11.087 169.999 -11.0859 -113.156 GPRESSURE: 578600 98.7266 -183.453 124.165 -44.5662 558.953 -10.9431 229.203 -66.774 -83.2844 PRESSAVG: 578600 16.5542 -106.071 -37.6687 -106.071 -32.5727 -51.5267 -37.6687 -51.5267 20.9836 GPRESSAVG: 578600 17.3286 -109.214 -40.0106 -102.485 -32.962 -52.2155 -37.7713 -51.7362 20.4008 TIMING: 578600 CPU: 1886.68, 0.00314997/step Wall: 1886.68, 0.00314997/step, 3.86869 hours remaining, 232.882812 MB of memory in use. ENERGY: 578600 3957.0543 20484.2215 14469.7984 248.7441 -203351.2524 2559.0760 0.0000 0.0000 52349.3098 -109283.0481 300.8522 -161632.3580 -108915.3939 299.6200 164.9915 191.4650 759177.1821 1.6550 1.5891 PRESSURE: 578800 91.8322 -286.642 98.3717 -286.642 398.45 68.0685 98.3716 68.0687 164.295 GPRESSURE: 578800 225.87 -228.342 107.395 -205.297 430.708 78.1468 59.061 119.173 82.9698 PRESSAVG: 578800 19.0857 -83.7685 7.26676 -83.7686 -19.3996 14.0194 7.26683 14.0194 -16.3254 GPRESSAVG: 578800 17.5135 -82.0194 8.11187 -85.8719 -19.4153 14.9694 7.8744 13.8038 -14.9238 TIMING: 578800 CPU: 1887.31, 0.00314291/step Wall: 1887.31, 0.00314291/step, 3.85985 hours remaining, 232.882812 MB of memory in use. ENERGY: 578800 3996.1332 20476.6583 14503.8570 261.0833 -203427.1154 2843.3694 0.0000 0.0000 52220.5276 -109125.4866 300.1121 -161346.0142 -108763.6303 300.4744 218.1923 246.5156 763032.3617 -5.5465 -5.6085 PRESSURE: 579000 47.0062 84.0542 -0.714119 84.0544 72.7247 1.52432 -0.713676 1.52344 -287.712 GPRESSURE: 579000 133.146 177.188 -55.6277 -27.5452 22.0221 81.3703 -63.1868 -160.782 -225.915 PRESSAVG: 579000 -18.5186 -18.0857 25.5902 -18.0856 -17.741 -62.9448 25.5903 -62.9448 1.39202 GPRESSAVG: 579000 -17.9213 -18.0744 25.7676 -17.8118 -16.957 -63.4568 24.542 -62.9244 -0.172661 TIMING: 579000 CPU: 1887.94, 0.00313176/step Wall: 1887.94, 0.00313176/step, 3.84598 hours remaining, 232.882812 MB of memory in use. ENERGY: 579000 3984.0339 20529.9104 14476.6925 240.1878 -203106.5006 2627.6053 0.0000 0.0000 52035.5737 -109212.4970 299.0492 -161248.0707 -108851.8430 299.6207 -55.9938 -23.5824 763997.3978 -11.6226 -11.6837 PRESSURE: 579200 -623.151 -127.916 -51.5067 -127.916 -209.009 139.022 -51.5062 139.023 328.048 GPRESSURE: 579200 -465.666 -78.7724 -118.45 -136.839 -294.873 153.924 -50.1053 92.3148 328.604 PRESSAVG: 579200 -58.4012 -19.3578 -4.77397 -19.3578 58.9348 -30.1784 -4.774 -30.1786 19.8631 GPRESSAVG: 579200 -59.1827 -19.0755 -5.82473 -18.0359 59.5372 -29.8754 -4.65104 -33.8979 19.5399 TIMING: 579200 CPU: 1888.56, 0.00313409/step Wall: 1888.56, 0.00313409/step, 3.84867 hours remaining, 232.882812 MB of memory in use. ENERGY: 579200 4029.0546 20434.5354 14421.8594 253.0735 -202827.6686 2338.9163 0.0000 0.0000 52055.7369 -109294.4927 299.1650 -161350.2296 -108928.8415 299.6726 -168.0372 -143.9782 763215.1474 6.7989 6.6315 PRESSURE: 579400 8.08512 86.8536 245.064 86.8538 393.793 -85.3698 245.063 -85.3695 312.71 GPRESSURE: 579400 101.596 17.149 259.009 89.2924 375.892 -107.313 65.7451 -18.6923 318.734 PRESSAVG: 579400 -64.0474 -46.4744 40.8165 -46.4743 49.2106 9.78585 40.8165 9.7859 -11.2036 GPRESSAVG: 579400 -62.4156 -46.1885 41.5177 -50.5432 48.2448 8.17459 40.3835 15.0481 -11.9566 TIMING: 579400 CPU: 1889.19, 0.00315322/step Wall: 1889.19, 0.00315322/step, 3.87198 hours remaining, 232.882812 MB of memory in use. ENERGY: 579400 3942.0740 20457.0239 14623.2212 253.6516 -203555.6183 2889.8690 0.0000 0.0000 52129.9171 -109259.8615 299.5914 -161389.7786 -108892.2072 299.5785 238.1958 265.4071 762142.0188 -8.6801 -8.7091 PRESSURE: 579600 162.01 -128.777 -58.4919 -128.778 -218.376 -59.8498 -58.4928 -59.8481 102.558 GPRESSURE: 579600 119.857 -47.7251 10.3496 -106.967 -138.645 66.8747 52.7854 -79.7091 155.142 PRESSAVG: 579600 -34.1262 -38.8258 -26.2119 -38.8256 75.2041 42.6408 -26.2119 42.6409 23.2086 GPRESSAVG: 579600 -34.4176 -37.9986 -27.2076 -35.8371 74.5937 44.8792 -25.149 41.7437 24.3724 TIMING: 579600 CPU: 1889.82, 0.00312963/step Wall: 1889.82, 0.00312963/step, 3.84284 hours remaining, 232.882812 MB of memory in use. ENERGY: 579600 3954.0522 20309.1072 14493.9698 230.4808 -203138.4151 2419.8957 0.0000 0.0000 52269.7719 -109461.1375 300.3951 -161730.9094 -109091.4746 299.5984 15.3974 45.4512 762176.6181 21.4288 21.5162 PRESSURE: 579800 -56.5572 170.229 -33.9881 170.229 -210.737 -86.3916 -33.9883 -86.39 -25.0711 GPRESSURE: 579800 3.26236 200.117 -72.0892 209.104 -146.858 -99.6184 -75.9503 -97.0345 -68.7256 PRESSAVG: 579800 -33.9044 -8.84579 -2.59478 -8.84577 66.7506 -18.7469 -2.59481 -18.7469 -9.9112 GPRESSAVG: 579800 -33.8199 -9.1369 -1.8779 -8.46794 67.0098 -20.1765 -2.65609 -21.3569 -10.6895 TIMING: 579800 CPU: 1890.45, 0.0031755/step Wall: 1890.45, 0.0031755/step, 3.89899 hours remaining, 232.882812 MB of memory in use. ENERGY: 579800 3984.6095 20338.4110 14486.2454 250.7944 -203143.7138 2495.5188 0.0000 0.0000 52029.6867 -109558.4480 299.0153 -161588.1347 -109191.1907 298.7959 -97.4551 -70.7736 761226.2750 7.6450 7.5001 PRESSURE: 580000 -14.2471 -139.425 -144.687 -139.424 139.751 91.6558 -144.687 91.6567 45.6555 GPRESSURE: 580000 71.6996 -207.815 -211.657 -153.416 86.8613 167.418 -120.727 106.809 114.4 PRESSAVG: 580000 -68.7037 -67.3323 17.0902 -67.3323 47.6516 20.5391 17.0902 20.5391 -10.648 GPRESSAVG: 580000 -68.5403 -67.2113 16.2243 -66.9053 47.3615 21.5883 18.1 23.4832 -10.3066 TIMING: 580000 CPU: 1891.09, 0.00316628/step Wall: 1891.09, 0.00316628/step, 3.88748 hours remaining, 232.882812 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: 580000 3982.0903 20461.8054 14521.3956 235.7555 -203595.2262 2713.1471 0.0000 0.0000 51972.1874 -109708.8451 298.6849 -161681.0324 -109346.7674 299.0398 57.0530 90.9868 762087.1319 -10.5667 -10.4951 PRESSURE: 580200 -345.826 -93.139 -264.943 -93.1389 -209.305 169.452 -264.943 169.452 -196.712 GPRESSURE: 580200 -380.875 -170.47 -272.22 -108.354 -111.466 229.941 -149.578 10.8167 -165.056 PRESSAVG: 580200 -94.0084 -45.2586 -50.9795 -45.2587 31.0545 46.4983 -50.9795 46.4983 -5.31524 GPRESSAVG: 580200 -95.0231 -47.6807 -51.5555 -45.7775 31.5823 46.8386 -50.2244 42.181 -5.17248 TIMING: 580200 CPU: 1891.72, 0.00314964/step Wall: 1891.72, 0.00314964/step, 3.86689 hours remaining, 232.882812 MB of memory in use. ENERGY: 580200 3985.6777 20514.2383 14576.3137 234.0982 -203389.6968 2379.9189 0.0000 0.0000 52120.6727 -109578.7772 299.5382 -161699.4499 -109218.1926 299.5391 -250.6141 -219.1324 761859.7599 -22.7564 -22.8711 LDB: ============= START OF LOAD BALANCING ============== 1904.14 LDB: ============== END OF LOAD BALANCING =============== 1904.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1904.14 LDB: ============= START OF LOAD BALANCING ============== 1904.46 LDB: Largest compute 7058 load 0.034652 is 17.8% of average load 0.195058 LDB: Average compute 0.004387 is 2.2% of average load 0.195058 LDB: TIME 1904.46 LOAD: AVG 0.195058 MAX 0.213772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.676 MB LDB: TIME 1904.46 LOAD: AVG 0.195058 MAX 0.213772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.676 MB LDB: TIME 1904.46 LOAD: AVG 0.195058 MAX 0.213772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.676 MB LDB: ============== END OF LOAD BALANCING =============== 1904.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1904.47 PRESSURE: 580400 -179.631 -78.8625 -217.66 -78.8624 -263.377 135.988 -217.66 135.988 33.8209 GPRESSURE: 580400 -163.489 -103.939 -203.358 -23.787 -266.785 52.2035 -246.308 62.0473 93.4822 PRESSAVG: 580400 -63.7497 2.21381 -22.4498 2.21385 10.9811 17.0609 -22.4498 17.0609 20.0966 GPRESSAVG: 580400 -63.7018 4.7514 -19.4311 3.68433 11.7092 14.8136 -27.2545 20.6458 19.5443 TIMING: 580400 CPU: 1892.36, 0.00321932/step Wall: 1892.36, 0.00321932/step, 3.95225 hours remaining, 232.406250 MB of memory in use. ENERGY: 580400 3932.6445 20596.8088 14505.8513 247.9452 -203431.4921 2429.7235 0.0000 0.0000 51948.5260 -109769.9928 298.5489 -161718.5188 -109412.5576 299.1114 -136.3958 -112.2639 762089.0921 -10.8906 -10.8161 PRESSURE: 580600 255.848 -92.1052 20.9507 -92.1057 99.9414 363.992 20.9499 363.992 56.8757 GPRESSURE: 580600 281.918 -149.08 70.2267 -7.46083 70.6301 416.739 2.70213 289.099 137.986 PRESSAVG: 580600 16.2656 -70.2448 -12.4787 -70.2449 -32.7903 71.5997 -12.4787 71.5998 -2.69458 GPRESSAVG: 580600 15.8959 -69.6167 -16.1793 -71.1292 -32.7392 72.0148 -11.2097 71.7102 -1.59675 TIMING: 580600 CPU: 1892.99, 0.00314186/step Wall: 1892.99, 0.00314186/step, 3.85699 hours remaining, 232.863281 MB of memory in use. ENERGY: 580600 4005.4684 20533.5405 14491.2056 221.4718 -204159.8362 3071.6945 0.0000 0.0000 51996.6499 -109839.8054 298.8255 -161836.4553 -109484.3774 299.0031 137.5549 163.5112 760042.9917 -6.4064 -6.1467 PRESSURE: 580800 121.968 -108.742 16.7784 -108.742 246.374 226.487 16.7781 226.488 290.182 GPRESSURE: 580800 116.433 45.5868 -66.9781 -71.0575 408.076 179.321 11.0598 154.534 234.072 PRESSAVG: 580800 44.7612 -62.8409 3.29544 -62.8409 -21.4883 62.7267 3.29547 62.7268 10.3922 GPRESSAVG: 580800 46.2854 -65.0807 5.31533 -61.7102 -21.522 63.9881 5.29748 63.0514 8.85359 TIMING: 580800 CPU: 1893.62, 0.00313945/step Wall: 1893.62, 0.00313945/step, 3.85385 hours remaining, 233.003906 MB of memory in use. ENERGY: 580800 3944.6661 20561.3177 14517.7350 252.0680 -203927.2111 2824.4107 0.0000 0.0000 51879.0368 -109947.9769 298.1495 -161827.0137 -109581.4651 298.5069 219.5082 252.8603 760197.9096 11.2217 11.2057 PRESSURE: 581000 102.276 27.04 217.308 27.04 145.694 -241.669 217.307 -241.668 203.311 GPRESSURE: 581000 140.123 -12.1071 195.65 14.1922 162.152 -148.779 122.876 -139.218 227.195 PRESSAVG: 581000 50.2517 -50.8783 9.23652 -50.8783 -31.4532 20.9742 9.2365 20.9741 -15.4047 GPRESSAVG: 581000 49.6987 -49.3781 8.61981 -52.7643 -31.8429 21.0888 9.76222 20.3722 -15.0438 TIMING: 581000 CPU: 1894.25, 0.00314164/step Wall: 1894.25, 0.00314164/step, 3.85637 hours remaining, 233.003906 MB of memory in use. ENERGY: 581000 3943.3183 20456.3437 14444.5939 235.8695 -203944.2089 2789.0569 0.0000 0.0000 52232.3441 -109842.6823 300.1800 -162075.0265 -109471.8359 298.6949 150.4271 176.4901 759957.4963 1.1313 0.9374 PRESSURE: 581200 57.0544 -82.9993 -55.4602 -82.9999 -61.6376 66.361 -55.4608 66.3606 91.6109 GPRESSURE: 581200 168.865 37.2486 -20.6903 -157.15 -73.1693 68.1275 -71.7095 -40.3141 111.636 PRESSAVG: 581200 36.1754 -69.4024 -20.7748 -69.4024 -30.0487 -52.9318 -20.7748 -52.9317 -9.58377 GPRESSAVG: 581200 36.0808 -70.1102 -20.5094 -69.8757 -29.1241 -53.0822 -20.7734 -52.5903 -10.189 TIMING: 581200 CPU: 1894.87, 0.00314142/step Wall: 1894.87, 0.00314142/step, 3.85592 hours remaining, 233.003906 MB of memory in use. ENERGY: 581200 3989.0611 20541.8893 14442.2949 236.7168 -203630.5860 2769.1449 0.0000 0.0000 52003.6336 -109647.8453 298.8656 -161651.4789 -109291.1814 299.2798 29.0092 69.1106 760412.3841 -1.1524 -1.0774 PRESSURE: 581400 126.398 7.90774 -2.41209 7.9077 56.4808 92.4065 -2.4122 92.4053 -164.537 GPRESSURE: 581400 143.355 -7.84441 -45.5796 23.0164 78.7527 22.1502 -91.9325 122.323 -118.628 PRESSAVG: 581400 14.8775 -64.3259 -8.66413 -64.3259 4.54943 -22.1058 -8.66418 -22.1058 -0.499326 GPRESSAVG: 581400 13.4452 -65.7286 -10.2998 -62.5993 3.87153 -24.2722 -8.06217 -22.2891 1.1051 TIMING: 581400 CPU: 1895.5, 0.00314868/step Wall: 1895.5, 0.00314868/step, 3.86465 hours remaining, 233.003906 MB of memory in use. ENERGY: 581400 3989.2982 20522.3774 14421.8417 255.7694 -203611.7820 2767.7601 0.0000 0.0000 51952.4650 -109702.2702 298.5715 -161654.7353 -109348.2164 299.1076 6.1140 34.4930 762473.1572 6.3092 6.1406 PRESSURE: 581600 59.7057 190.84 -63.8518 190.84 -217.427 -100.128 -63.8524 -100.128 -81.8387 GPRESSURE: 581600 61.3753 195.766 9.41242 121.702 -111.56 -19.6423 41.8804 -182.17 -89.1584 PRESSAVG: 581600 -19.9637 -73.3704 34.3486 -73.3704 49.5324 54.9013 34.3486 54.9013 -6.42435 GPRESSAVG: 581600 -19.2051 -72.8243 36.8868 -73.1195 49.0324 57.117 33.3256 54.457 -7.1298 TIMING: 581600 CPU: 1896.13, 0.00314417/step Wall: 1896.13, 0.00314417/step, 3.85894 hours remaining, 233.003906 MB of memory in use. ENERGY: 581600 4004.7537 20355.9298 14463.5272 265.2272 -203803.7378 2833.8126 0.0000 0.0000 52243.1938 -109637.2936 300.2424 -161880.4874 -109272.7369 299.3210 -79.8533 -46.4478 761858.4748 7.7148 7.5658 PRESSURE: 581800 -82.9495 -26.2029 82.5759 -26.2034 193.155 156.543 82.5764 156.544 -250.185 GPRESSURE: 581800 -54.8776 -16.8849 51.485 59.1952 123.521 117.859 165.753 253.19 -103.701 PRESSAVG: 581800 -12.7894 -38.5105 22.6527 -38.5106 -19.7821 5.9413 22.6527 5.94123 -7.94811 GPRESSAVG: 581800 -13.6908 -39.4907 21.2696 -38.1057 -19.4714 4.25876 22.5958 6.41078 -7.33901 TIMING: 581800 CPU: 1896.76, 0.00313816/step Wall: 1896.76, 0.00313816/step, 3.8514 hours remaining, 233.203125 MB of memory in use. ENERGY: 581800 4030.0290 20412.2612 14400.2824 233.3141 -203664.0371 2831.9831 0.0000 0.0000 52207.1310 -109549.0362 300.0351 -161756.1672 -109183.0663 299.4214 -46.6597 -11.6859 762818.6673 -13.5066 -13.5004 PRESSURE: 582000 -204.506 -73.2291 105.852 -73.2298 -147.128 51.6664 105.852 51.6672 -285.443 GPRESSURE: 582000 -146.539 2.61356 139.543 -77.7985 -118.703 2.39286 75.5416 127.234 -284.065 PRESSAVG: 582000 -27.7442 -17.8772 59.3258 -17.8773 -37.3948 -5.25582 59.3258 -5.25587 -2.25912 GPRESSAVG: 582000 -26.2027 -16.0189 58.452 -19.3297 -37.3451 -5.66504 58.117 -6.70793 -3.8984 TIMING: 582000 CPU: 1897.39, 0.00312966/step Wall: 1897.39, 0.00312966/step, 3.84079 hours remaining, 233.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 582000 4098.7514 20488.8617 14519.3412 244.9023 -203367.4117 2440.9303 0.0000 0.0000 52180.2780 -109394.3467 299.8808 -161574.6247 -109037.8477 299.3290 -212.3588 -183.1023 762658.4276 -22.4660 -22.4821 PRESSURE: 582200 -4.98228 53.6177 -148.304 53.6177 125.482 -9.95218 -148.304 -9.95238 -177.94 GPRESSURE: 582200 30.9667 80.8142 -99.2552 42.8902 235.07 -2.60743 -160.144 74.2378 -227.749 PRESSAVG: 582200 -34.2889 -54.2549 23.1647 -54.2549 60.2933 12.3922 23.1648 12.3921 -3.41746 GPRESSAVG: 582200 -33.6008 -54.2164 23.717 -53.6854 59.8024 12.5102 22.3605 14.0975 -3.74202 TIMING: 582200 CPU: 1898.02, 0.00314192/step Wall: 1898.02, 0.00314192/step, 3.85566 hours remaining, 233.203125 MB of memory in use. ENERGY: 582200 4057.4798 20567.1105 14476.6681 247.8031 -203189.0873 2423.9258 0.0000 0.0000 51858.4987 -109557.6014 298.0315 -161416.1001 -109203.9298 299.3181 -19.1466 12.7624 762262.1627 7.5290 7.4865 PRESSURE: 582400 -311.903 -58.6933 34.3031 -58.6933 -166.655 -13.1442 34.304 -13.1447 54.3399 GPRESSURE: 582400 -236.148 -65.1202 -28.4966 -117.089 -122.852 -53.7804 -82.1863 -11.1725 2.38658 PRESSAVG: 582400 4.28454 -58.8817 23.8488 -58.8817 -36.1737 -21.7012 23.8488 -21.7013 4.39408 GPRESSAVG: 582400 3.51514 -57.3708 23.9461 -61.4069 -35.7641 -21.8012 24.9899 -20.7934 4.77686 TIMING: 582400 CPU: 1898.64, 0.00314442/step Wall: 1898.64, 0.00314442/step, 3.85855 hours remaining, 233.203125 MB of memory in use. ENERGY: 582400 4027.8873 20424.7688 14508.5472 242.8186 -203630.9954 2589.3559 0.0000 0.0000 52037.1613 -109800.4563 299.0583 -161837.6176 -109422.4808 298.8513 -141.4059 -118.8710 762962.0418 -9.1650 -9.1574 PRESSURE: 582600 -93.7041 84.0978 51.1953 84.0975 -376.353 39.0065 51.1957 39.0071 -629.45 GPRESSURE: 582600 -61.3003 -31.6004 123.375 121.495 -368.206 -47.876 -20.17 62.8888 -570.953 PRESSAVG: 582600 29.8403 -18.704 34.652 -18.704 -74.1869 8.62284 34.652 8.62289 -8.04167 GPRESSAVG: 582600 29.7338 -21.2613 34.899 -14.9558 -75.9062 9.06389 34.8047 5.78081 -5.7413 TIMING: 582600 CPU: 1899.27, 0.00315257/step Wall: 1899.27, 0.00315257/step, 3.86837 hours remaining, 233.203125 MB of memory in use. ENERGY: 582600 3973.6765 20498.7476 14409.8308 255.4633 -203565.1695 2409.6485 0.0000 0.0000 52282.5513 -109735.2517 300.4685 -162017.8029 -109366.1392 298.9165 -366.5027 -333.4864 761706.3540 -17.4628 -17.3046 PRESSURE: 582800 -96.4889 28.1425 -32.3884 28.143 -308.085 -186.83 -32.3887 -186.831 337.522 GPRESSURE: 582800 -44.0939 -72.241 45.5844 24.5467 -198.179 -111.911 -61.7993 -170.086 238.127 PRESSAVG: 582800 -4.20802 -22.0403 -16.6041 -22.0403 -24.6294 -30.7759 -16.6041 -30.7759 -13.0584 GPRESSAVG: 582800 -3.3721 -21.5297 -16.8767 -22.0186 -23.4558 -28.9918 -16.8024 -30.3966 -15.4975 TIMING: 582800 CPU: 1899.9, 0.00314336/step Wall: 1899.9, 0.00314336/step, 3.85691 hours remaining, 233.203125 MB of memory in use. ENERGY: 582800 3935.5450 20509.0741 14453.6123 267.7857 -203467.8739 2485.3233 0.0000 0.0000 51890.9514 -109925.5821 298.2180 -161816.5335 -109559.2707 298.6074 -22.3508 -1.3817 761980.8655 -13.9653 -14.1085 PRESSURE: 583000 397.714 15.736 -211.483 15.7352 -36.5889 -38.8929 -211.483 -38.8927 430.161 GPRESSURE: 583000 458.757 0.59701 -155.41 66.3254 -28.6295 -5.33139 -290.065 -175.554 439.298 PRESSAVG: 583000 69.2009 -11.3434 -31.4554 -11.3434 -53.8738 -56.4636 -31.4553 -56.4635 18.9316 GPRESSAVG: 583000 68.806 -11.132 -31.864 -11.0897 -54.4394 -56.7173 -31.6185 -56.4747 19.7746 TIMING: 583000 CPU: 1900.53, 0.00313705/step Wall: 1900.53, 0.00313705/step, 3.84899 hours remaining, 233.203125 MB of memory in use. ENERGY: 583000 3957.1435 20615.9168 14466.6102 250.5134 -203782.1781 2675.3584 0.0000 0.0000 52108.2316 -109708.4042 299.4667 -161816.6358 -109344.9450 298.9260 263.7620 289.8084 759439.7540 11.4196 11.3804 PRESSURE: 583200 -236.102 -210.747 17.7071 -210.747 -367.79 178.932 17.7073 178.932 -460.661 GPRESSURE: 583200 -136.216 -212.614 -10.6246 -272.183 -361.237 165.729 -0.426184 148.202 -465.292 PRESSAVG: 583200 44.728 -35.4781 -8.8546 -35.478 -33.0586 -25.4094 -8.85462 -25.4094 8.51057 GPRESSAVG: 583200 44.2346 -36.121 -6.69009 -34.6573 -32.2568 -25.2089 -8.7804 -24.8284 8.40415 TIMING: 583200 CPU: 1901.16, 0.00312682/step Wall: 1901.16, 0.00312682/step, 3.83626 hours remaining, 233.203125 MB of memory in use. ENERGY: 583200 4015.0851 20394.5994 14470.6541 251.9197 -203230.3292 2424.9604 0.0000 0.0000 51825.7182 -109847.3922 297.8431 -161673.1105 -109489.6064 298.5032 -354.8512 -320.9150 761019.3742 6.7267 6.7940 PRESSURE: 583400 224.907 -138.829 126.285 -138.829 164.464 99.6796 126.285 99.679 130.277 GPRESSURE: 583400 218.783 -83.309 135.476 -156.803 244.364 77.5367 -52.4776 -4.04416 133.187 PRESSAVG: 583400 -0.3549 -66.9275 38.4674 -66.9275 28.5073 14.0934 38.4673 14.0934 -11.8744 GPRESSAVG: 583400 0.137852 -65.2899 37.8601 -66.0002 28.8831 12.332 39.3693 14.4434 -12.429 TIMING: 583400 CPU: 1901.78, 0.00312758/step Wall: 1901.78, 0.00312758/step, 3.83701 hours remaining, 233.203125 MB of memory in use. ENERGY: 583400 3949.2536 20595.0403 14425.8067 240.4760 -203604.8178 2665.1749 0.0000 0.0000 52181.9604 -109547.1059 299.8904 -161729.0663 -109183.1386 299.0036 173.2157 198.7782 760326.2322 5.4260 5.5306 PRESSURE: 583600 -215.27 300.187 133.617 300.188 22.852 180.396 133.617 180.397 426.944 GPRESSURE: 583600 -70.2737 260.051 142.203 311.421 32.406 197.03 68.0579 178.916 363.239 PRESSAVG: 583600 29.2261 -3.88681 34.9526 -3.88677 -39.0891 25.4283 34.9527 25.4284 10.4062 GPRESSAVG: 583600 30.0741 -4.23202 33.7092 -6.22829 -41.2841 25.8011 34.4048 24.6175 11.0811 TIMING: 583600 CPU: 1902.41, 0.00312922/step Wall: 1902.41, 0.00312922/step, 3.83886 hours remaining, 233.203125 MB of memory in use. ENERGY: 583600 3965.2627 20425.1998 14446.8332 271.4897 -203532.8947 2552.6671 0.0000 0.0000 52474.1979 -109397.2443 301.5699 -161871.4422 -109025.7519 299.5925 78.1753 108.4571 761452.6820 0.1811 -0.0430 PRESSURE: 583800 441.355 134.881 25.4415 134.881 -40.9899 -53.2631 25.4416 -53.2635 385.05 GPRESSURE: 583800 429.799 183.079 52.756 71.9735 -45.1775 -10.3564 26.5715 7.4938 480.107 PRESSAVG: 583800 -14.7071 -7.60964 -17.4705 -7.60963 -25.9053 -56.9145 -17.4705 -56.9146 16.502 GPRESSAVG: 583800 -15.9729 -6.71628 -17.8899 -8.3892 -24.9118 -57.818 -18.026 -54.915 16.5899 TIMING: 583800 CPU: 1903.03, 0.00313615/step Wall: 1903.03, 0.00313615/step, 3.84719 hours remaining, 233.203125 MB of memory in use. ENERGY: 583800 4038.7961 20627.7302 14457.5057 242.3208 -203962.7225 3019.6028 0.0000 0.0000 52196.4126 -109380.3543 299.9735 -161576.7669 -109025.4750 299.7160 261.8050 288.2428 761343.3815 -8.0368 -8.0982 PRESSURE: 584000 -235.071 61.4699 53.9904 61.4705 -20.4857 68.6022 53.9898 68.6022 -191.103 GPRESSURE: 584000 -147.268 170.664 -12.984 124.591 -18.2163 22.5891 -3.02831 51.2687 -182.406 PRESSAVG: 584000 37.2215 -4.60388 1.01677 -4.60379 -55.8559 15.1117 1.01678 15.1117 -6.20481 GPRESSAVG: 584000 36.8003 -7.58766 2.41134 -5.67389 -55.302 15.3101 1.61667 15.3186 -5.98223 TIMING: 584000 CPU: 1903.66, 0.00312083/step Wall: 1903.66, 0.00312083/step, 3.82822 hours remaining, 233.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 584000 4054.9908 20411.7134 14460.5875 240.9540 -204168.5713 3097.5248 0.0000 0.0000 52429.9396 -109472.8612 301.3156 -161902.8008 -109099.5050 300.3870 -148.8868 -115.9635 762372.3690 -8.2797 -8.1613 PRESSURE: 584200 7.10848 104.165 -6.61397 104.165 -260.978 47.223 -6.61379 47.2236 -132.812 GPRESSURE: 584200 -26.787 152.911 -51.7416 34.515 -193.701 8.34951 9.5375 31.4655 -64.2324 PRESSAVG: 584200 -9.56287 -22.7643 19.2782 -22.7643 16.0468 78.0615 19.2782 78.0615 3.05306 GPRESSAVG: 584200 -8.58537 -19.9721 19.4035 -20.4107 15.0697 79.093 17.3325 76.784 2.84534 TIMING: 584200 CPU: 1904.28, 0.00311878/step Wall: 1904.28, 0.00311878/step, 3.82553 hours remaining, 233.203125 MB of memory in use. ENERGY: 584200 4053.5191 20467.4311 14567.9635 245.0212 -203109.2147 2297.9277 0.0000 0.0000 52014.2621 -109463.0900 298.9267 -161477.3521 -109112.3885 299.5745 -128.8937 -94.9067 760289.1853 3.1790 3.1099 LDB: ============= START OF LOAD BALANCING ============== 1916.7 LDB: ============== END OF LOAD BALANCING =============== 1916.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1916.7 LDB: ============= START OF LOAD BALANCING ============== 1917.02 LDB: Largest compute 7049 load 0.034463 is 17.7% of average load 0.195023 LDB: Average compute 0.004385 is 2.2% of average load 0.195023 LDB: TIME 1917.02 LOAD: AVG 0.195023 MAX 0.215722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.898 MB LDB: TIME 1917.02 LOAD: AVG 0.195023 MAX 0.215722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.898 MB LDB: TIME 1917.02 LOAD: AVG 0.195023 MAX 0.215722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.898 MB LDB: ============== END OF LOAD BALANCING =============== 1917.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1917.03 PRESSURE: 584400 22.8737 -108.457 -51.9995 -108.458 223.27 23.5971 -51.9998 23.5977 99.8693 GPRESSURE: 584400 83.0624 37.904 -28.417 -74.647 257.447 81.3471 -37.7669 -16.3919 106.82 PRESSAVG: 584400 6.87771 -47.0362 44.2338 -47.0362 -14.7467 79.2387 44.2338 79.2387 8.9247 GPRESSAVG: 584400 6.9486 -47.4423 43.6419 -46.157 -14.0501 79.4339 45.8205 79.483 8.37239 TIMING: 584400 CPU: 1904.92, 0.00319344/step Wall: 1904.92, 0.00319344/step, 3.91693 hours remaining, 230.929688 MB of memory in use. ENERGY: 584400 4031.1658 20516.3625 14478.2585 254.1840 -204070.5970 2930.6624 0.0000 0.0000 52057.0129 -109802.9509 299.1724 -161859.9638 -109443.4529 299.4953 115.3376 149.1100 759710.0328 0.3519 0.4236 PRESSURE: 584600 179.561 -194.61 73.6253 -194.609 -89.4757 30.5961 73.6247 30.5957 215.647 GPRESSURE: 584600 282.67 -228.455 19.3877 -230.003 -90.2194 14.8847 3.35432 -16.7524 203.151 PRESSAVG: 584600 54.8592 -30.3882 18.2377 -30.3883 -69.0715 23.8508 18.2377 23.8507 14.002 GPRESSAVG: 584600 55.5605 -29.4328 17.3696 -31.5819 -69.4077 24.5286 19.3977 25.0414 13.9223 TIMING: 584600 CPU: 1905.55, 0.00312008/step Wall: 1905.55, 0.00312008/step, 3.82678 hours remaining, 231.152344 MB of memory in use. ENERGY: 584600 3990.4602 20514.7699 14475.6280 233.4259 -203899.9686 2746.0202 0.0000 0.0000 52354.4546 -109585.2098 300.8818 -161939.6644 -109227.3284 299.1136 101.9109 131.8675 759304.8777 -0.0701 0.0250 PRESSURE: 584800 119.269 149.651 156.838 149.651 -202.39 140.703 156.838 140.703 -284.557 GPRESSURE: 584800 133.474 50.8 126.511 172.284 -180.169 10.4296 94.4947 244.117 -219.11 PRESSAVG: 584800 60.7553 -2.58844 -38.1046 -2.58853 -63.8945 11.208 -38.1046 11.2081 20.7812 GPRESSAVG: 584800 61.4683 -3.8461 -37.5039 -1.28936 -65.7958 9.5293 -40.0764 10.7607 21.9081 TIMING: 584800 CPU: 1906.17, 0.0031374/step Wall: 1906.17, 0.0031374/step, 3.84785 hours remaining, 231.152344 MB of memory in use. ENERGY: 584800 3981.1014 20414.7733 14621.5360 252.9032 -203843.5368 2535.3767 0.0000 0.0000 52530.5801 -109507.2661 301.8940 -162037.8462 -109139.0797 299.7980 -122.5591 -88.6018 760778.3926 5.8806 5.8602 PRESSURE: 585000 -33.5201 -62.7752 -109.874 -62.7757 151.197 272.045 -109.875 272.045 -169.048 GPRESSURE: 585000 3.21111 -121.131 -121.551 31.9459 208.295 211.115 -78.5555 229.145 -187.198 PRESSAVG: 585000 30.1966 -15.5666 13.928 -15.5666 -52.6919 77.3334 13.928 77.3334 15.462 GPRESSAVG: 585000 29.2293 -14.7312 13.8466 -18.5299 -51.0683 77.7915 15.4525 77.9269 14.4388 TIMING: 585000 CPU: 1906.8, 0.00312458/step Wall: 1906.8, 0.00312458/step, 3.83194 hours remaining, 231.187500 MB of memory in use. ENERGY: 585000 4036.9541 20463.7429 14497.0958 232.7924 -203395.4968 2397.0382 0.0000 0.0000 52265.6682 -109502.2051 300.3715 -161767.8734 -109137.9301 299.4273 -17.1237 8.1029 761836.2975 -2.3444 -2.4667 PRESSURE: 585200 103.474 37.6557 -22.3854 37.6553 12.3732 30.8149 -22.3857 30.8141 19.4947 GPRESSURE: 585200 141.246 -74.7564 -48.292 190.215 86.3451 1.33383 -64.7197 37.1056 -22.5057 PRESSAVG: 585200 2.77948 -1.06952 -24.486 -1.06953 25.6338 -18.7039 -24.486 -18.7039 -15.071 GPRESSAVG: 585200 3.06032 -0.543275 -24.5712 2.2423 25.8583 -19.1203 -23.1634 -19.7315 -15.6753 TIMING: 585200 CPU: 1907.42, 0.00313018/step Wall: 1907.42, 0.00313018/step, 3.83865 hours remaining, 231.187500 MB of memory in use. ENERGY: 585200 4047.3046 20542.2763 14477.9780 245.5053 -203333.8416 2683.7687 0.0000 0.0000 51782.8928 -109554.1158 297.5970 -161337.0086 -109196.5661 299.4454 45.1139 68.3618 761615.6695 4.4474 4.4144 PRESSURE: 585400 -233.802 42.5588 135.191 42.56 -144.079 139.837 135.19 139.838 180.465 GPRESSURE: 585400 -206.689 80.109 40.044 56.0066 -56.6176 217.281 163.587 111.273 157.78 PRESSAVG: 585400 5.92194 30.6785 -8.62458 30.6786 -35.7882 7.54152 -8.62453 7.54167 -5.89105 GPRESSAVG: 585400 5.1195 29.6754 -7.07135 32.069 -35.2406 8.16922 -12.0351 8.84281 -5.56065 TIMING: 585400 CPU: 1908.05, 0.00312834/step Wall: 1908.05, 0.00312834/step, 3.83621 hours remaining, 231.187500 MB of memory in use. ENERGY: 585400 3955.8282 20553.5835 14524.8693 239.9460 -203542.2078 2665.9190 0.0000 0.0000 52205.9169 -109396.1449 300.0281 -161602.0618 -109034.4368 299.3038 -65.8051 -35.1757 761260.3178 -11.9191 -11.8939 PRESSURE: 585600 -183.89 -5.0773 156.636 -5.07625 -115.647 -30.5144 156.636 -30.5138 -364.199 GPRESSURE: 585600 -105.221 65.7902 91.4069 -30.0962 -99.5967 -9.70007 126.31 -25.9941 -361.769 PRESSAVG: 585600 32.4583 78.2711 16.9125 78.2712 -13.1801 42.0246 16.9125 42.0246 -0.977416 GPRESSAVG: 585600 33.4624 77.6879 15.7195 75.2625 -13.9036 41.6491 16.7705 39.814 -0.595056 TIMING: 585600 CPU: 1908.67, 0.00311302/step Wall: 1908.67, 0.00311302/step, 3.81725 hours remaining, 231.187500 MB of memory in use. ENERGY: 585600 3975.3635 20632.2432 14545.1778 251.4916 -203381.7030 2515.5253 0.0000 0.0000 52080.3813 -109381.5201 299.3067 -161461.9014 -109011.8926 299.8915 -221.2453 -188.8621 762117.4460 6.1003 6.3212 PRESSURE: 585800 27.251 56.8731 -202.038 56.873 -228.064 60.4984 -202.038 60.499 -113.498 GPRESSURE: 585800 46.6829 86.2276 -210.269 121.562 -176.367 58.2897 -212.291 174.79 -116.106 PRESSAVG: 585800 -33.1926 30.017 -51.1968 30.017 42.853 36.8369 -51.1969 36.8369 -4.85082 GPRESSAVG: 585800 -34.2158 30.6326 -52.8405 29.2172 45.0761 38.0114 -49.0018 37.4474 -6.35103 TIMING: 585800 CPU: 1909.29, 0.00311225/step Wall: 1909.29, 0.00311225/step, 3.81614 hours remaining, 231.187500 MB of memory in use. ENERGY: 585800 4050.9634 20592.6033 14417.1652 253.4199 -203578.5351 2511.2650 0.0000 0.0000 52195.0756 -109558.0427 299.9658 -161753.1183 -109187.4018 299.6141 -104.7702 -81.9302 760864.4829 1.6032 1.5031 PRESSURE: 586000 196.521 -37.8164 83.8776 -37.8172 126.37 -148.242 83.8765 -148.241 -107.891 GPRESSURE: 586000 239.847 -151.235 136.748 40.4111 54.2589 -128.309 202.309 -88.8027 -11.614 PRESSAVG: 586000 32.87 6.31283 1.32244 6.31284 -21.9168 12.2002 1.32246 12.2002 21.0244 GPRESSAVG: 586000 33.9741 7.94623 2.40283 5.05632 -24.2359 12.8648 1.29921 10.8156 22.2738 TIMING: 586000 CPU: 1909.92, 0.00312226/step Wall: 1909.92, 0.00312226/step, 3.82823 hours remaining, 231.187500 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: 586000 3993.3967 20585.1475 14503.3259 250.2416 -203551.4636 2552.3315 0.0000 0.0000 52102.4195 -109564.6009 299.4333 -161667.0204 -109204.4882 299.6064 71.6668 94.1640 760125.8286 10.6592 10.6707 PRESSURE: 586200 -234.085 -42.7571 92.7344 -42.7577 -124.103 143.487 92.7337 143.488 343.537 GPRESSURE: 586200 -224.488 -96.5155 32.6645 -94.3774 -23.4015 164.31 62.2417 -111.949 304.886 PRESSAVG: 586200 56.7593 1.35381 -40.2029 1.35384 -26.9655 63.6457 -40.2029 63.6457 -28.1456 GPRESSAVG: 586200 54.4603 -0.0610811 -39.8425 0.861415 -26.7273 64.3361 -39.4303 63.634 -26.5734 TIMING: 586200 CPU: 1910.54, 0.00312046/step Wall: 1910.54, 0.00312046/step, 3.82585 hours remaining, 231.187500 MB of memory in use. ENERGY: 586200 3997.2462 20612.6701 14471.8700 241.7017 -203344.3105 2612.7384 0.0000 0.0000 51815.7019 -109592.3821 297.7856 -161408.0840 -109230.3053 299.5593 -4.8838 18.9989 759908.7901 0.5494 0.3866 PRESSURE: 586400 18.6888 -170.414 88.9189 -170.414 150.732 -189.901 88.9186 -189.9 376.472 GPRESSURE: 586400 94.6992 -286.693 91.5465 -5.95411 165.072 -161.126 139.745 -187.571 354.799 PRESSAVG: 586400 56.3962 -18.4709 0.00377719 -18.4709 -23.1287 34.0534 0.00376736 34.0533 -18.5149 GPRESSAVG: 586400 58.2176 -19.2519 -0.803609 -17.0117 -23.1328 32.8512 0.107806 35.1175 -20.5105 TIMING: 586400 CPU: 1911.17, 0.00312445/step Wall: 1911.17, 0.00312445/step, 3.83058 hours remaining, 231.187500 MB of memory in use. ENERGY: 586400 4116.3407 20504.4197 14413.4282 244.1586 -203704.2148 2659.0316 0.0000 0.0000 52161.8310 -109605.0050 299.7748 -161766.8360 -109231.1307 299.6076 181.9640 204.8567 760308.0014 4.9175 4.8581 PRESSURE: 586600 -248.079 9.33864 115.758 9.33877 -5.08884 195.34 115.758 195.339 526.744 GPRESSURE: 586600 -263.189 35.6913 166.399 -44.8395 18.1028 149.735 111.265 250.24 586.968 PRESSAVG: 586600 18.2724 -10.99 11.3837 -10.99 23.2362 -28.716 11.3836 -28.716 -13.389 GPRESSAVG: 586600 18.7432 -11.0376 12.1239 -12.3977 22.092 -27.3104 9.03956 -28.6161 -12.3758 TIMING: 586600 CPU: 1911.79, 0.00312358/step Wall: 1911.79, 0.00312358/step, 3.82934 hours remaining, 231.187500 MB of memory in use. ENERGY: 586600 3947.7231 20664.1213 14501.4493 264.9658 -203468.1021 2514.9641 0.0000 0.0000 52161.6877 -109413.1909 299.7739 -161574.8786 -109047.0666 299.5568 91.1922 113.9607 759309.7542 9.3732 9.4865 PRESSURE: 586800 -195.194 -85.3034 103.314 -85.3037 -206.21 149.033 103.314 149.034 262.152 GPRESSURE: 586800 -233.989 -57.2107 205.624 -70.7103 -49.92 113.904 102.22 165.282 261.974 PRESSAVG: 586800 23.5549 -1.57097 -7.11401 -1.57094 -52.6684 34.763 -7.11399 34.763 12.8938 GPRESSAVG: 586800 22.4912 -1.92853 -6.4533 0.357075 -50.311 33.5838 -7.45821 32.2967 11.4977 TIMING: 586800 CPU: 1912.42, 0.00313642/step Wall: 1912.42, 0.00313642/step, 3.8449 hours remaining, 231.187500 MB of memory in use. ENERGY: 586800 3951.8969 20504.1957 14498.4406 272.2905 -202918.0663 2238.1913 0.0000 0.0000 51980.8320 -109472.2193 298.7346 -161453.0513 -109115.6598 299.4767 -46.4175 -7.3117 760507.1772 -5.4066 -5.4407 PRESSURE: 587000 -77.6281 108.156 -9.05791 108.156 -360.333 -214.505 -9.05848 -214.505 -377.2 GPRESSURE: 587000 -27.871 223.321 37.1242 99.4775 -304.798 -119.07 42.5512 -85.1982 -385.608 PRESSAVG: 587000 26.0929 -12.9851 -15.943 -12.9851 -64.228 -0.376452 -15.943 -0.376499 9.41252 GPRESSAVG: 587000 26.6585 -12.1045 -16.1537 -13.5939 -65.6777 -0.147106 -14.4432 3.48843 10.6387 TIMING: 587000 CPU: 1913.05, 0.00313981/step Wall: 1913.05, 0.00313981/step, 3.84889 hours remaining, 231.187500 MB of memory in use. ENERGY: 587000 4011.1143 20420.6673 14435.6985 240.6413 -203293.0986 2626.0844 0.0000 0.0000 52108.8834 -109450.0095 299.4705 -161558.8929 -109078.8134 299.8383 -271.7204 -239.4256 762333.8410 -9.5742 -9.4602 PRESSURE: 587200 -118.69 -193.21 -152.129 -193.212 -344.52 -63.3308 -152.129 -63.3296 246.009 GPRESSURE: 587200 -15.5327 -93.7839 -267.12 -141.471 -344.037 -103.491 -94.2062 -53.5807 212.921 PRESSAVG: 587200 0.501933 -32.3687 -9.70487 -32.3687 -30.9524 33.633 -9.70484 33.633 -0.0618226 GPRESSAVG: 587200 1.41449 -32.3045 -10.6582 -31.8159 -32.5347 33.069 -9.86257 34.1859 0.420522 TIMING: 587200 CPU: 1913.68, 0.00315992/step Wall: 1913.68, 0.00315992/step, 3.87336 hours remaining, 231.187500 MB of memory in use. ENERGY: 587200 4052.3938 20629.3180 14391.1109 240.1900 -203246.1916 2402.5660 0.0000 0.0000 52042.0258 -109488.5871 299.0862 -161530.6129 -109126.3084 299.7518 -72.4007 -48.8831 762328.0880 -10.1707 -10.2332 PRESSURE: 587400 73.9468 -140.695 -362.821 -140.695 -52.8028 -69.5181 -362.82 -69.5189 -90.1314 GPRESSURE: 587400 150.378 -85.8856 -369.607 -212.238 11.9164 -1.70755 -263.991 -120.343 -139.113 PRESSAVG: 587400 88.6259 -0.952209 17.274 -0.952172 11.2335 23.9827 17.274 23.9827 8.02037 GPRESSAVG: 587400 88.8484 -3.31831 18.6367 1.47697 13.5486 23.6794 16.2616 22.0802 6.35276 TIMING: 587400 CPU: 1914.31, 0.00313868/step Wall: 1914.31, 0.00313868/step, 3.84715 hours remaining, 231.187500 MB of memory in use. ENERGY: 587400 3928.3808 20453.0779 14450.9027 237.5552 -203246.3509 2452.4641 0.0000 0.0000 52343.1343 -109380.8360 300.8167 -161723.9702 -109019.5378 299.8347 -22.9958 7.7272 759629.6912 35.9599 36.2499 PRESSURE: 587600 -3.05785 -69.603 32.9336 -69.6035 -85.88 214.562 32.9332 214.563 93.0003 GPRESSURE: 587600 25.834 -109.138 68.4888 90.6435 -5.03136 128.857 11.4788 228.971 71.8298 PRESSAVG: 587600 28.7894 22.5431 -42.9243 22.5431 3.2936 -12.9672 -42.9243 -12.9673 0.526399 GPRESSAVG: 587600 28.804 25.3316 -44.5879 18.8707 3.18654 -12.3042 -41.5425 -13.1059 0.940049 TIMING: 587600 CPU: 1914.93, 0.00312458/step Wall: 1914.93, 0.00312458/step, 3.82969 hours remaining, 231.187500 MB of memory in use. ENERGY: 587600 4055.0524 20432.2108 14454.3576 269.2652 -203407.1872 2607.4274 0.0000 0.0000 52092.1733 -109496.7005 299.3744 -161588.8739 -109131.8494 299.8369 1.3542 30.8775 757299.0496 10.8698 10.9769 PRESSURE: 587800 276.034 -239.168 23.4088 -239.168 -24.864 -99.8384 23.4089 -99.8382 -67.4907 GPRESSURE: 587800 175.909 -290.028 -4.84689 -257.101 149.528 -20.2298 0.778183 70.5148 -43.7932 PRESSAVG: 587800 0.566181 2.88554 -8.4335 2.88556 -30.2244 -2.25932 -8.4335 -2.25933 1.74868 GPRESSAVG: 587800 -0.549695 0.54207 -5.11441 4.05429 -28.2931 -2.08305 -10.8037 -1.97353 1.02326 TIMING: 587800 CPU: 1915.56, 0.00312387/step Wall: 1915.56, 0.00312387/step, 3.82865 hours remaining, 231.187500 MB of memory in use. ENERGY: 587800 3974.3067 20481.6468 14537.0201 266.9979 -203580.0602 2731.6548 0.0000 0.0000 52162.1498 -109426.2842 299.7766 -161588.4339 -109066.7613 299.6643 61.2265 93.8811 759412.7549 -9.3032 -9.2732 PRESSURE: 588000 51.5676 -86.9355 -48.6212 -86.9357 52.3958 74.0679 -48.6203 74.0691 -1.62154 GPRESSURE: 588000 155.985 -93.4649 11.4245 -103.425 40.9606 74.887 17.1302 32.7051 10.0464 PRESSAVG: 588000 26.9178 -1.8595 -0.00668375 -1.85948 -15 -8.93751 -0.00667444 -8.93752 2.09301 GPRESSAVG: 588000 27.1513 -0.509665 -3.14177 0.221226 -16.0762 -8.61073 0.659502 -9.81878 2.96221 TIMING: 588000 CPU: 1916.18, 0.00312319/step Wall: 1916.18, 0.00312319/step, 3.82764 hours remaining, 231.187500 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: 588000 4021.2092 20420.4375 14458.3412 254.0026 -203245.2131 2524.7866 0.0000 0.0000 52190.9007 -109375.5354 299.9418 -161566.4361 -109011.4734 299.9471 34.1140 68.9974 760774.1838 4.6703 4.6791 PRESSURE: 588200 -379.857 32.8036 80.7212 32.8042 -388.737 104.415 80.7215 104.414 -12.9221 GPRESSURE: 588200 -380.166 -40.2338 31.8698 178.697 -354.971 73.5387 91.8446 74.1971 28.6752 PRESSAVG: 588200 32.3843 -25.1127 39.9855 -25.1127 -24.0024 -37.5511 39.9855 -37.5511 6.04149 GPRESSAVG: 588200 33.0839 -27.3675 41.0458 -26.7008 -24.3739 -37.6472 39.9916 -36.8824 5.55301 TIMING: 588200 CPU: 1916.81, 0.00312841/step Wall: 1916.81, 0.00312841/step, 3.83386 hours remaining, 231.187500 MB of memory in use. ENERGY: 588200 3951.9192 20632.5800 14488.8962 246.6102 -202911.2630 2285.6811 0.0000 0.0000 52004.9806 -109300.5957 298.8733 -161305.5763 -108945.9772 300.0108 -260.5054 -235.4875 760687.4080 4.8078 4.7544 LDB: ============= START OF LOAD BALANCING ============== 1929.23 LDB: ============== END OF LOAD BALANCING =============== 1929.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1929.23 LDB: ============= START OF LOAD BALANCING ============== 1929.54 LDB: Largest compute 7049 load 0.033650 is 17.3% of average load 0.195029 LDB: Average compute 0.004397 is 2.3% of average load 0.195029 LDB: TIME 1929.55 LOAD: AVG 0.195029 MAX 0.218689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.09 MB LDB: TIME 1929.55 LOAD: AVG 0.195029 MAX 0.218689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.09 MB LDB: TIME 1929.55 LOAD: AVG 0.195029 MAX 0.216768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.09 MB LDB: ============== END OF LOAD BALANCING =============== 1929.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1929.55 PRESSURE: 588400 104.895 -27.2882 345.758 -27.2883 20.6519 139.179 345.759 139.178 -399.047 GPRESSURE: 588400 106.781 -96.6931 294.533 28.9947 53.0531 173.41 339.93 -23.6164 -327.889 PRESSAVG: 588400 -10.5612 -30.7175 14.1121 -30.7176 -10.4432 13.929 14.1121 13.929 -21.3744 GPRESSAVG: 588400 -10.616 -28.3414 15.2277 -31.1869 -10.8229 11.721 13.4006 14.4107 -20.4529 TIMING: 588400 CPU: 1917.45, 0.00320297/step Wall: 1917.45, 0.00320297/step, 3.92506 hours remaining, 231.328125 MB of memory in use. ENERGY: 588400 4054.7753 20457.5134 14422.2043 240.2548 -202993.4026 2399.4341 0.0000 0.0000 51996.5481 -109422.6726 298.8249 -161419.2207 -109061.4798 299.4574 -91.1668 -56.0185 762855.6143 -14.1263 -13.9639 PRESSURE: 588600 -55.8426 99.7535 259.384 99.7536 -28.8577 -21.1603 259.385 -21.1588 -165.406 GPRESSURE: 588600 -101.06 191.813 108.654 196.6 29.8173 -62.7698 143.673 -142.549 -96.6899 PRESSAVG: 588600 5.17504 -6.95549 5.38411 -6.95552 25.1028 16.4029 5.38409 16.4029 -1.61892 GPRESSAVG: 588600 5.25925 -7.92339 5.11699 -7.82769 26.2802 18.7174 4.4706 15.3639 -3.37561 TIMING: 588600 CPU: 1918.07, 0.00312624/step Wall: 1918.07, 0.00312624/step, 3.83086 hours remaining, 231.328125 MB of memory in use. ENERGY: 588600 4021.0664 20348.3846 14514.2191 245.5330 -203426.0889 2684.1274 0.0000 0.0000 52333.9629 -109278.7955 300.7640 -161612.7584 -108925.3928 300.0045 -83.3687 -55.9775 761923.8296 9.5530 9.3880 PRESSURE: 588800 -245.734 -102.386 217.457 -102.387 -539.464 233.669 217.457 233.67 -167.312 GPRESSURE: 588800 -222.756 -98.9213 262.542 110.242 -484.622 212.834 223.754 263.939 -178.439 PRESSAVG: 588800 -18.4237 5.38801 -27.4461 5.38803 7.06569 -53.819 -27.446 -53.8189 18.2413 GPRESSAVG: 588800 -17.8458 6.12255 -26.1123 5.51157 6.0975 -55.0888 -27.6774 -54.1751 18.2688 TIMING: 588800 CPU: 1918.7, 0.00314408/step Wall: 1918.7, 0.00314408/step, 3.85254 hours remaining, 231.328125 MB of memory in use. ENERGY: 588800 3953.1781 20455.9492 14515.6719 271.9406 -203154.2727 2240.0470 0.0000 0.0000 52134.6861 -109582.7999 299.6188 -161717.4860 -109222.6625 299.7542 -317.5032 -295.2724 760788.4580 2.2944 2.1735 PRESSURE: 589000 -223.858 41.3373 -46.9379 41.3376 -240.12 -178.225 -46.9376 -178.226 -288.246 GPRESSURE: 589000 -180.887 53.6513 -97.4748 -15.6098 -222.877 -218.756 95.887 -201.866 -251.712 PRESSAVG: 589000 1.79997 -24.9384 50.5267 -24.9384 -3.53592 -45.0869 50.5267 -45.0869 2.53546 GPRESSAVG: 589000 0.548081 -23.0094 49.1184 -25.5047 -3.84589 -43.6546 52.6496 -44.0884 4.02991 TIMING: 589000 CPU: 1919.33, 0.00313392/step Wall: 1919.33, 0.00313392/step, 3.83992 hours remaining, 231.328125 MB of memory in use. ENERGY: 589000 4006.2123 20277.1732 14480.8006 241.1760 -203350.5301 2332.4362 0.0000 0.0000 52257.7719 -109754.9598 300.3261 -162012.7318 -109388.9164 299.4792 -250.7415 -218.4921 759587.6854 0.2665 0.2440 PRESSURE: 589200 -107.05 -209.691 14.6983 -209.691 110.537 -61.9654 14.6981 -61.9662 81.7762 GPRESSURE: 589200 17.118 -213.672 49.4811 -220.288 81.9053 5.44008 -3.32794 -14.9106 86.0006 PRESSAVG: 589200 59.462 -25.9862 44.549 -25.9862 -24.5642 5.45355 44.549 5.45348 4.25902 GPRESSAVG: 589200 59.4732 -26.7354 44.6529 -25.8393 -24.805 4.12102 43.9145 5.04613 4.03126 TIMING: 589200 CPU: 1919.95, 0.00311944/step Wall: 1919.95, 0.00311944/step, 3.82201 hours remaining, 231.328125 MB of memory in use. ENERGY: 589200 4020.5478 20394.3787 14489.8166 257.6781 -203650.2835 2794.3021 0.0000 0.0000 51995.8855 -109697.6746 298.8211 -161693.5602 -109342.6552 299.2839 28.4210 61.6746 758455.2624 13.0522 12.8998 PRESSURE: 589400 130.547 30.329 -2.6895 30.3289 -389.326 -16.0671 -2.68968 -16.0662 363.79 GPRESSURE: 589400 74.4786 117.349 -27.7387 0.416603 -257.662 -51.1283 26.2717 -67.8215 366.423 PRESSAVG: 589400 37.842 7.41235 -5.78403 7.41239 -33.8105 33.297 -5.78401 33.297 -7.07278 GPRESSAVG: 589400 38.6518 5.71388 -6.54496 8.54428 -33.7999 32.6174 -5.95045 34.5887 -7.76433 TIMING: 589400 CPU: 1920.58, 0.0031225/step Wall: 1920.58, 0.0031225/step, 3.82558 hours remaining, 231.328125 MB of memory in use. ENERGY: 589400 3942.8476 20454.2156 14463.6222 248.3529 -203284.1994 2612.3732 0.0000 0.0000 52066.4250 -109496.3629 299.2265 -161562.7879 -109126.1019 299.4410 35.0037 61.0797 761094.7510 -1.0138 -0.9708 PRESSURE: 589600 5.6476 157.683 121.499 157.682 -214.706 -85.979 121.499 -85.9798 251.863 GPRESSURE: 589600 104.606 -19.2289 43.3251 80.8683 -197.966 -10.4215 86.6305 -93.964 212.814 PRESSAVG: 589600 -23.7551 -19.7179 8.83487 -19.718 -11.643 9.83721 8.83491 9.83725 12.5224 GPRESSAVG: 589600 -24.0414 -20.9399 9.05049 -18.5309 -11.8363 10.2818 6.50057 8.73908 12.5947 TIMING: 589600 CPU: 1921.2, 0.00312787/step Wall: 1921.2, 0.00312787/step, 3.83199 hours remaining, 231.328125 MB of memory in use. ENERGY: 589600 4048.1866 20419.4938 14484.9028 252.1152 -203339.7287 2596.9823 0.0000 0.0000 52151.4894 -109386.5585 299.7153 -161538.0480 -109016.1428 299.7336 14.2680 39.8181 760523.0465 -7.6252 -7.7610 PRESSURE: 589800 66.6545 2.01331 -409.609 2.0124 -73.1251 -123.089 -409.609 -123.088 507.969 GPRESSURE: 589800 179.976 1.19408 -357.879 -19.4363 -103.12 -85.0868 -300.176 -5.03585 512.101 PRESSAVG: 589800 -2.50586 -23.5238 9.443 -23.5238 -20.0385 18.1713 9.44293 18.1713 -12.6513 GPRESSAVG: 589800 -3.18126 -23.1378 10.3259 -23.8811 -19.9215 18.7368 12.2578 19.7361 -11.4679 TIMING: 589800 CPU: 1921.83, 0.00312126/step Wall: 1921.83, 0.00312126/step, 3.82372 hours remaining, 231.328125 MB of memory in use. ENERGY: 589800 4005.8795 20401.3450 14512.6259 242.1064 -203083.5129 2626.2128 0.0000 0.0000 51797.0432 -109498.3001 297.6783 -161295.3433 -109131.7536 299.5925 167.1662 196.3190 762752.1800 -11.7319 -11.5235 PRESSURE: 590000 469.506 8.27849 -179.04 8.27884 -124.596 -76.9783 -179.04 -76.9777 15.1358 GPRESSURE: 590000 477.6 -44.7702 -170.561 -11.529 6.74881 -68.5384 -209.511 -146.741 -46.0875 PRESSAVG: 590000 15.3595 -32.6258 -21.112 -32.6258 -28.144 -1.93048 -21.1121 -1.93049 5.27844 GPRESSAVG: 590000 16.6472 -32.0919 -20.7103 -34.2977 -27.8796 -2.09346 -22.043 -1.81399 3.46136 TIMING: 590000 CPU: 1922.45, 0.0031276/step Wall: 1922.45, 0.0031276/step, 3.83131 hours remaining, 231.328125 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: 590000 4010.8579 20363.1418 14434.7530 260.9823 -203123.5091 2370.6036 0.0000 0.0000 51999.1370 -109684.0334 298.8398 -161683.1704 -109326.0287 299.3799 120.0156 146.0872 760326.5922 -2.5020 -2.5904 PRESSURE: 590200 -140.83 -262.879 -9.50669 -262.879 -4.36791 130.886 -9.50692 130.885 134.512 GPRESSURE: 590200 -74.0193 -252.149 -59.0056 -208.944 14.2667 160.351 -121.16 199.301 134.466 PRESSAVG: 590200 88.8612 -23.4841 41.8314 -23.4841 -63.9688 25.1612 41.8314 25.1611 9.23986 GPRESSAVG: 590200 87.3149 -22.5394 39.3128 -23.5514 -63.7654 26.7886 42.5596 23.7034 10.6771 TIMING: 590200 CPU: 1923.08, 0.00311564/step Wall: 1923.08, 0.00311564/step, 3.81649 hours remaining, 231.328125 MB of memory in use. ENERGY: 590200 4005.7615 20272.2458 14522.7974 231.0198 -203394.0616 2582.7507 0.0000 0.0000 51971.8789 -109807.6075 298.6831 -161779.4863 -109442.2094 298.6345 -3.5618 24.9046 762118.1699 11.3774 11.4088 PRESSURE: 590400 -165.782 -85.5112 -175.48 -85.512 -308.74 -197.11 -175.48 -197.112 -382.254 GPRESSURE: 590400 -221.256 7.72216 -158.54 -134.965 -244.637 -201.384 -86.3843 -212.045 -295.262 PRESSAVG: 590400 76.3755 -82.3433 22.9553 -82.3433 -73.5168 -30.9535 22.9553 -30.9535 -1.74277 GPRESSAVG: 590400 76.2994 -84.1105 25.92 -81.2467 -72.7727 -31.5723 21.8988 -31.7346 -2.27613 TIMING: 590400 CPU: 1923.7, 0.003132/step Wall: 1923.7, 0.003132/step, 3.83636 hours remaining, 231.328125 MB of memory in use. ENERGY: 590400 3996.8768 20457.3561 14473.2722 227.1184 -203129.2062 2281.7524 0.0000 0.0000 51833.8111 -109859.0192 297.8896 -161692.8303 -109500.3568 298.6783 -285.5920 -253.7183 761510.1187 0.3720 0.4168 PRESSURE: 590600 291.082 248.764 -281.155 248.764 71.137 -44.8012 -281.155 -44.8014 -26.6698 GPRESSURE: 590600 306.84 265.831 -407.018 283.76 145.077 -47.4299 -98.0103 32.5822 -28.372 PRESSAVG: 590600 23.147 -26.4357 -4.75493 -26.4357 -47.9803 -34.1283 -4.75491 -34.1284 10.8675 GPRESSAVG: 590600 24.4338 -24.2417 -5.09149 -27.9011 -48.6185 -35.948 -2.77353 -34.8275 10.0751 TIMING: 590600 CPU: 1924.33, 0.00312223/step Wall: 1924.33, 0.00312223/step, 3.82421 hours remaining, 231.328125 MB of memory in use. ENERGY: 590600 3993.8882 20213.2329 14407.8524 251.0210 -203722.6739 2738.3871 0.0000 0.0000 51905.2218 -110213.0704 298.3000 -162118.2922 -109845.5036 298.5815 111.8499 141.1816 760391.5333 -4.6553 -4.7032 PRESSURE: 590800 147.788 -85.3542 -16.3058 -85.3532 -184.034 -222.251 -16.3059 -222.251 -34.5381 GPRESSURE: 590800 126.63 -170.02 67.7012 -58.2982 -120.595 -257.004 -158.465 -107.63 25.4453 PRESSAVG: 590800 43.1554 -9.53141 17.9717 -9.5315 -57.3161 4.05055 17.9717 4.05053 32.7158 GPRESSAVG: 590800 43.1319 -12.0668 17.5767 -8.28484 -58.1358 4.17372 17.9875 7.19426 33.3912 TIMING: 590800 CPU: 1924.95, 0.00311488/step Wall: 1924.95, 0.00311488/step, 3.81504 hours remaining, 231.328125 MB of memory in use. ENERGY: 590800 3954.9969 20432.0490 14442.7877 258.7952 -203635.1953 2484.4106 0.0000 0.0000 51895.3911 -110166.7648 298.2435 -162062.1559 -109799.6399 298.2187 -23.5949 10.4934 760236.3823 6.1850 6.1291 PRESSURE: 591000 132.824 -164.541 -37.9083 -164.541 -364.776 -19.3556 -37.9079 -19.3554 301.835 GPRESSURE: 591000 190.322 -136.181 4.13371 -248.584 -377.37 16.8976 -237.247 27.5118 333.27 PRESSAVG: 591000 33.9084 -27.2372 -20.3505 -27.2371 -63.7116 10.205 -20.3506 10.205 3.069 GPRESSAVG: 591000 33.5951 -29.1698 -19.6645 -26.9771 -64.8789 11.0227 -22.4082 9.84365 4.52762 TIMING: 591000 CPU: 1925.58, 0.00312983/step Wall: 1925.58, 0.00312983/step, 3.83318 hours remaining, 231.328125 MB of memory in use. ENERGY: 591000 3947.2654 20307.0034 14565.4713 247.1796 -203882.8473 2702.2509 0.0000 0.0000 51926.2217 -110187.4550 298.4207 -162113.6767 -109826.3020 298.2805 23.2942 48.7406 760561.8237 -8.9114 -8.9187 PRESSURE: 591200 -241.76 -243.016 -2.16328 -243.016 28.8705 280.452 -2.16331 280.453 -167.705 GPRESSURE: 591200 -238.291 -157.551 -25.2274 -200.292 12.5695 320.371 -36.7701 199.692 -51.9202 PRESSAVG: 591200 12.768 -50.1268 -49.2887 -50.1268 -10.8012 50.3941 -49.2887 50.3941 -1.55447 GPRESSAVG: 591200 12.4113 -48.3843 -49.207 -49.6706 -9.21644 50.6746 -49.3412 52.7654 -2.79534 TIMING: 591200 CPU: 1926.2, 0.00312516/step Wall: 1926.2, 0.00312516/step, 3.82728 hours remaining, 231.328125 MB of memory in use. ENERGY: 591200 4016.8484 20569.1514 14459.4986 238.4023 -203936.8849 2647.3951 0.0000 0.0000 51733.8227 -110271.7664 297.3150 -162005.5891 -109915.4602 298.4530 -126.8647 -92.5472 759403.2241 0.1374 0.1332 PRESSURE: 591400 -170.058 35.9139 217.341 35.9138 200.843 -25.8796 217.342 -25.8787 -285.981 GPRESSURE: 591400 -158.291 19.326 115.497 102.433 218.001 -99.0402 145.323 -23.3402 -222.755 PRESSAVG: 591400 7.99813 -7.16822 43.3797 -7.16824 -10.5365 45.958 43.3798 45.9579 -11.5078 GPRESSAVG: 591400 8.2289 -7.135 41.3095 -7.45793 -10.7551 45.4957 42.5292 42.2626 -11.2304 TIMING: 591400 CPU: 1926.83, 0.00312615/step Wall: 1926.83, 0.00312615/step, 3.82832 hours remaining, 231.328125 MB of memory in use. ENERGY: 591400 3983.8529 20679.9456 14524.9699 248.4674 -204412.9126 2965.2001 0.0000 0.0000 51785.3666 -110225.1103 297.6112 -162010.4769 -109862.6826 298.1786 -85.0652 -54.3481 758858.3457 -4.6821 -4.5855 PRESSURE: 591600 122.078 -209.868 61.5032 -209.868 75.9002 -119.583 61.5027 -119.581 -45.3 GPRESSURE: 591600 145.156 -223.484 57.1258 -183.961 97.6177 -51.4349 98.2652 -54.9632 -2.64461 PRESSAVG: 591600 -7.03794 -43.5728 5.21375 -43.5728 7.91521 -6.18652 5.21378 -6.18653 13.0909 GPRESSAVG: 591600 -7.00627 -44.6455 5.89672 -43.8488 8.51299 -5.49883 5.44643 -5.78427 12.6258 TIMING: 591600 CPU: 1927.45, 0.00313059/step Wall: 1927.45, 0.00313059/step, 3.83359 hours remaining, 231.328125 MB of memory in use. ENERGY: 591600 3908.9980 20539.6836 14384.2759 254.0453 -203774.1466 2466.1013 0.0000 0.0000 52071.9887 -110149.0539 299.2584 -162221.0426 -109787.3432 298.0996 50.8926 80.0430 759631.7394 4.6561 4.7108 PRESSURE: 591800 -69.7444 103.59 -26.6858 103.589 -74.9293 -230.086 -26.6862 -230.086 192.45 GPRESSURE: 591800 -36.9947 29.9627 0.173697 142.681 8.04804 -229.104 -8.2073 -172.623 180.577 PRESSAVG: 591800 -83.2083 -69.6878 -8.66354 -69.6879 39.62 33.2851 -8.66353 33.2851 5.36659 GPRESSAVG: 591800 -83.1406 -67.6484 -7.14111 -70.4665 39.0062 32.5476 -6.86142 35.3173 5.49146 TIMING: 591800 CPU: 1928.08, 0.00313712/step Wall: 1928.08, 0.00313712/step, 3.8414 hours remaining, 231.328125 MB of memory in use. ENERGY: 591800 3969.3913 20481.7500 14454.2485 238.1016 -203024.8368 2191.2968 0.0000 0.0000 51589.5434 -110100.5052 296.4858 -161690.0486 -109748.0936 298.3906 15.9256 50.5434 758896.9960 -12.7406 -12.8810 PRESSURE: 592000 -87.0901 308.836 118.126 308.836 -35.7275 269.662 118.126 269.661 -77.0085 GPRESSURE: 592000 -94.4209 258.054 97.9581 275.201 8.55514 178.638 55.8147 262.696 -15.7164 PRESSAVG: 592000 -41.9332 -47.2726 39.827 -47.2726 31.3924 20.692 39.8269 20.692 -6.85546 GPRESSAVG: 592000 -40.8242 -49.1754 40.175 -46.7895 30.4909 19.8766 38.8253 20.7072 -7.43565 TIMING: 592000 CPU: 1928.71, 0.00314277/step Wall: 1928.71, 0.00314277/step, 3.84815 hours remaining, 231.328125 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: 592000 3968.5360 20390.5234 14457.5931 246.1809 -203083.8208 2116.4095 0.0000 0.0000 51942.3378 -109962.2401 298.5133 -161904.5780 -109600.6124 297.9824 -66.6087 -33.8607 760268.4855 -5.7987 -5.9230 PRESSURE: 592200 -5.1112 272.842 -96.4483 272.842 -194.423 -17.6719 -96.448 -17.6723 -274.276 GPRESSURE: 592200 50.2658 244.314 -51.9893 298.309 -223.666 9.1729 -137.055 -58.5792 -227.638 PRESSAVG: 592200 -16.0959 -17.1626 -38.6603 -17.1625 52.4707 -49.8002 -38.6603 -49.8002 -14.8837 GPRESSAVG: 592200 -17.6689 -15.9682 -39.0766 -18.1691 52.9126 -48.6786 -39.6276 -51.7732 -14.0579 TIMING: 592200 CPU: 1929.34, 0.00314004/step Wall: 1929.34, 0.00314004/step, 3.84463 hours remaining, 231.328125 MB of memory in use. ENERGY: 592200 4063.5896 20382.5406 14438.8819 209.7544 -203196.6189 2180.0239 0.0000 0.0000 51974.8374 -109946.9911 298.7001 -161921.8285 -109586.8529 299.0340 -157.9368 -133.6791 758335.0482 7.1637 7.0619 LDB: ============= START OF LOAD BALANCING ============== 1941.76 LDB: ============== END OF LOAD BALANCING =============== 1941.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1941.76 LDB: ============= START OF LOAD BALANCING ============== 1942.07 LDB: Largest compute 7058 load 0.033914 is 17.4% of average load 0.195005 LDB: Average compute 0.004392 is 2.3% of average load 0.195005 LDB: TIME 1942.08 LOAD: AVG 0.195005 MAX 0.217274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.305 MB LDB: TIME 1942.08 LOAD: AVG 0.195005 MAX 0.217274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: TIME 1942.08 LOAD: AVG 0.195005 MAX 0.217274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: ============== END OF LOAD BALANCING =============== 1942.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1942.09 PRESSURE: 592400 -312.49 -204.907 -69.408 -204.907 -69.0871 -7.59296 -69.4077 -7.59333 130.122 GPRESSURE: 592400 -243.407 -65.3962 -95.1566 -262.706 -6.11826 54.0643 -135.917 25.4437 91.0115 PRESSAVG: 592400 32.6371 -46.8262 -30.5451 -46.8263 25.3564 28.8536 -30.5451 28.8537 4.06004 GPRESSAVG: 592400 32.829 -47.6176 -30.0832 -45.7899 25.8161 29.8899 -29.9504 28.8417 3.16782 TIMING: 592400 CPU: 1929.98, 0.0032179/step Wall: 1929.98, 0.0032179/step, 3.93978 hours remaining, 230.816406 MB of memory in use. ENERGY: 592400 3978.5778 20546.4480 14413.4613 246.6029 -203530.4456 2566.9477 0.0000 0.0000 52042.3002 -109736.1077 299.0878 -161778.4079 -109381.3483 299.1895 -83.8183 -52.8379 759891.3004 20.6845 20.6043 PRESSURE: 592600 -269.769 26.3229 -31.1526 26.3237 -548.644 40.6975 -31.1527 40.6967 -9.70706 GPRESSURE: 592600 -224.272 -88.1802 -48.2669 -48.9121 -490.634 0.149776 59.2147 250.801 -17.8472 PRESSAVG: 592600 -5.07951 -7.31968 15.146 -7.31973 -37.7898 19.7486 15.146 19.7487 -6.79886 GPRESSAVG: 592600 -5.71041 -6.13364 12.8725 -9.52227 -37.8172 18.9181 17.8956 21.3812 -6.07342 TIMING: 592600 CPU: 1930.61, 0.00314049/step Wall: 1930.61, 0.00314049/step, 3.84484 hours remaining, 230.816406 MB of memory in use. ENERGY: 592600 3948.5647 20578.9789 14370.3885 255.7206 -203174.2243 2155.5095 0.0000 0.0000 52184.2041 -109680.8582 299.9033 -161865.0623 -109315.4766 298.9371 -276.0401 -244.2511 759304.2592 -16.5561 -16.5337 PRESSURE: 592800 -440.839 86.4338 26.9461 86.4351 -355.652 -125.308 26.9461 -125.309 -389.756 GPRESSURE: 592800 -414.623 158.452 -27.3675 116.622 -351.197 -18.7207 -6.47202 -59.4836 -334.59 PRESSAVG: 592800 21.6422 -1.95833 -74.2696 -1.95829 -50.6572 59.799 -74.2696 59.799 14.0213 GPRESSAVG: 592800 21.4586 -3.16619 -71.8709 -0.708948 -49.9802 59.1743 -75.7522 60.6065 12.6641 TIMING: 592800 CPU: 1931.24, 0.00315431/step Wall: 1931.24, 0.00315431/step, 3.86158 hours remaining, 230.816406 MB of memory in use. ENERGY: 592800 4067.3319 20434.6471 14386.5719 245.4657 -203008.8602 2115.0174 0.0000 0.0000 52325.1319 -109434.6942 300.7133 -161759.8262 -109064.1958 299.6937 -395.4157 -366.8035 760454.7456 -4.9979 -5.2858 PRESSURE: 593000 -250.662 -213.934 -33.5576 -213.935 -312.398 -6.23849 -33.5572 -6.23865 -636.774 GPRESSURE: 593000 -177.906 -126.799 -33.7486 -163.331 -346.171 -23.3869 -42.7816 -72.5685 -576.703 PRESSAVG: 593000 -17.0356 -37.9831 -25.6427 -37.9832 9.28472 20.8056 -25.6427 20.8055 2.42805 GPRESSAVG: 593000 -17.7668 -37.2295 -25.5982 -35.7843 8.73739 20.2258 -26.5155 18.7907 3.55096 TIMING: 593000 CPU: 1931.87, 0.00313961/step Wall: 1931.87, 0.00313961/step, 3.84341 hours remaining, 230.816406 MB of memory in use. ENERGY: 593000 4067.0917 20486.2474 14431.9782 248.5644 -202795.4211 2113.7778 0.0000 0.0000 52036.2323 -109411.5292 299.0529 -161447.7615 -109052.1462 299.9873 -399.9448 -366.9268 760210.3664 -1.7743 -1.8261 PRESSURE: 593200 -81.6898 77.9063 -201.525 77.9068 313.586 -30.3613 -201.526 -30.3609 259.01 GPRESSURE: 593200 -36.5985 60.7922 -244.333 23.5137 293.234 -113.658 -115.603 167.86 331.938 PRESSAVG: 593200 0.138117 -41.9803 -48.7777 -41.9803 -10.7971 40.4748 -48.7777 40.4747 19.7486 GPRESSAVG: 593200 2.42316 -40.9897 -50.6568 -43.9594 -12.576 40.843 -49.7371 39.1813 18.9808 TIMING: 593200 CPU: 1932.5, 0.00314849/step Wall: 1932.5, 0.00314849/step, 3.8541 hours remaining, 230.816406 MB of memory in use. ENERGY: 593200 3938.7564 20546.6854 14421.7608 254.3847 -203372.0633 2679.8294 0.0000 0.0000 52227.6630 -109302.9837 300.1531 -161530.6467 -108942.0177 300.2425 163.6356 196.1910 760139.8793 3.0299 2.9427 PRESSURE: 593400 -124.021 -62.9398 -304.789 -62.9395 -223.061 84.7023 -304.789 84.7029 -127.383 GPRESSURE: 593400 -148.434 -123.93 -242.066 -121.408 -191.071 137.09 -256.605 -16.0512 -38.7936 PRESSAVG: 593400 34.1582 0.779309 -35.3411 0.779336 -19.8686 27.7938 -35.3411 27.7938 -10.3422 GPRESSAVG: 593400 33.8996 -1.48928 -33.6227 0.676077 -18.4457 28.2936 -31.7939 31.2503 -10.6807 TIMING: 593400 CPU: 1933.12, 0.00313502/step Wall: 1933.12, 0.00313502/step, 3.83744 hours remaining, 230.816406 MB of memory in use. ENERGY: 593400 3916.3316 20479.5687 14443.4296 236.8937 -203102.2350 2327.9997 0.0000 0.0000 52278.6993 -109419.3124 300.4464 -161698.0118 -109045.9041 300.4846 -158.1551 -126.0997 761204.0393 1.3158 1.5911 PRESSURE: 593600 -895.403 -48.794 -94.9836 -48.7942 115.12 123.378 -94.9843 123.378 -217.039 GPRESSURE: 593600 -870.558 70.6285 -94.1081 101.721 213.986 128.738 -40.5402 -59.6335 -255.295 PRESSAVG: 593600 -64.0013 -1.90522 -59.2637 -1.90519 55.3217 59.033 -59.2638 59.033 20.6765 GPRESSAVG: 593600 -63.4968 0.842138 -59.6734 -0.98565 55.1241 59.5197 -61.863 56.519 20.2979 TIMING: 593600 CPU: 1933.75, 0.00314079/step Wall: 1933.75, 0.00314079/step, 3.84432 hours remaining, 230.816406 MB of memory in use. ENERGY: 593600 3948.3641 20576.5659 14373.6824 262.5822 -203368.4243 2637.4755 0.0000 0.0000 52042.2198 -109527.5345 299.0874 -161569.7543 -109164.4540 299.5748 -332.4408 -303.9556 762803.0707 3.9990 3.9751 PRESSURE: 593800 109.765 -75.3699 -180.791 -75.3701 453.096 -30.3146 -180.791 -30.3142 389.179 GPRESSURE: 593800 184.646 -90.6503 -145.03 -5.21891 437.787 -23.7848 -121.852 -160.546 421.957 PRESSAVG: 593800 -21.1147 -66.0535 -59.8498 -66.0534 86.7165 34.8876 -59.8498 34.8876 -28.4654 GPRESSAVG: 593800 -21.1571 -66.7793 -60.1323 -65.7951 86.3014 36.4963 -59.451 32.8261 -27.8669 TIMING: 593800 CPU: 1934.38, 0.00314618/step Wall: 1934.38, 0.00314618/step, 3.85075 hours remaining, 230.816406 MB of memory in use. ENERGY: 593800 3883.7865 20572.8598 14434.1183 244.6788 -203512.7642 2750.1714 0.0000 0.0000 52095.8957 -109531.2538 299.3958 -161627.1494 -109175.0007 299.3329 317.3468 348.1299 760831.3863 12.3788 12.4258 PRESSURE: 594000 -120.844 120.954 246.272 120.954 189.233 -304.807 246.273 -304.808 264.762 GPRESSURE: 594000 -34.794 72.7809 232.299 -27.9219 207.445 -335.052 221.728 -187.62 244.96 PRESSAVG: 594000 14.6301 5.29783 -28.9091 5.29782 59.103 -27.6329 -28.9091 -27.6328 11.9213 GPRESSAVG: 594000 14.2337 2.71004 -27.9307 6.4537 59.0582 -30.0123 -30.6597 -24.196 12.6386 TIMING: 594000 CPU: 1935.01, 0.00314384/step Wall: 1935.01, 0.00314384/step, 3.84771 hours remaining, 230.816406 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: 594000 3999.2405 20738.7014 14339.0576 231.1265 -203881.7739 2772.5950 0.0000 0.0000 52036.4759 -109764.5770 299.0543 -161801.0529 -109395.0678 299.0845 111.0502 139.2035 760809.7691 28.5515 28.6435 PRESSURE: 594200 -41.0163 174.922 -35.1121 174.922 0.251732 106.556 -35.112 106.555 69.337 GPRESSURE: 594200 43.2338 186.977 -64.0624 69.8573 19.4325 5.08311 32.0339 71.6912 55.1976 PRESSAVG: 594200 -6.65455 15.8569 -40.8027 15.857 8.69311 5.37753 -40.8027 5.37755 -20.8731 GPRESSAVG: 594200 -7.21521 16.6024 -40.7248 18.3166 9.462 3.42449 -39.1033 5.25521 -21.6121 TIMING: 594200 CPU: 1935.64, 0.00313919/step Wall: 1935.64, 0.00313919/step, 3.84184 hours remaining, 230.816406 MB of memory in use. ENERGY: 594200 3915.4356 20441.6014 14436.0536 242.4543 -203623.0862 2351.3903 0.0000 0.0000 52296.4289 -109939.7220 300.5483 -162236.1510 -109574.7234 299.0428 9.5242 39.2880 759260.5302 -6.2782 -6.4551 PRESSURE: 594400 -124.489 90.7644 -166.514 90.7633 -48.7846 -92.6112 -166.514 -92.611 -360.579 GPRESSURE: 594400 -35.715 192.432 -119.985 27.4725 -25.8832 -94.1082 -95.9933 -71.9772 -366.34 PRESSAVG: 594400 -2.06226 -9.38857 -2.32081 -9.38856 -5.72717 49.4618 -2.32073 49.4617 26.5202 GPRESSAVG: 594400 -2.57414 -9.6956 -2.19184 -12.4098 -5.77939 52.2445 -2.6858 47.3826 26.8362 TIMING: 594400 CPU: 1936.26, 0.0031363/step Wall: 1936.26, 0.0031363/step, 3.83814 hours remaining, 230.816406 MB of memory in use. ENERGY: 594400 3966.1846 20554.6374 14445.5675 250.5799 -203391.3897 2254.9408 0.0000 0.0000 52081.0082 -109838.4713 299.3103 -161919.4795 -109475.0892 299.1361 -177.9508 -142.6461 760971.8851 6.2436 6.1609 PRESSURE: 594600 64.1965 130.135 -35.7395 130.135 88.2815 198.539 -35.74 198.538 62.002 GPRESSURE: 594600 118.422 39.9524 -108.904 208.331 132.121 360.548 -1.89971 195.288 43.8585 PRESSAVG: 594600 10.9902 64.065 -50.9392 64.065 39.1509 70.4203 -50.9391 70.4204 11.9879 GPRESSAVG: 594600 10.9626 65.5882 -51.5687 64.8732 40.0791 70.9911 -50.1301 69.2217 10.963 TIMING: 594600 CPU: 1936.9, 0.0031603/step Wall: 1936.9, 0.0031603/step, 3.86733 hours remaining, 230.816406 MB of memory in use. ENERGY: 594600 3954.6532 20433.7886 14482.6824 224.7535 -203709.4961 2629.1258 0.0000 0.0000 52196.8598 -109787.6326 299.9761 -161984.4924 -109416.4780 299.0187 71.4933 98.1337 760782.9317 20.7097 20.6682 PRESSURE: 594800 -1.33744 -26.2122 -328.955 -26.2113 -401.909 102.516 -328.954 102.515 -233.706 GPRESSURE: 594800 -71.424 -50.6288 -368.742 58.6066 -345.486 120.773 -390.676 -45.8384 -158.657 PRESSAVG: 594800 86.5803 4.90263 -10.558 4.90269 -41.5755 24.6796 -10.5581 24.6797 32.6321 GPRESSAVG: 594800 86.9673 2.34384 -11.6015 2.95283 -42.2862 22.1958 -10.4157 29.6722 32.7785 TIMING: 594800 CPU: 1937.53, 0.00314558/step Wall: 1937.53, 0.00314558/step, 3.84914 hours remaining, 230.816406 MB of memory in use. ENERGY: 594800 4015.8126 20517.0348 14457.0430 265.8392 -203575.8454 2489.0414 0.0000 0.0000 52441.1064 -109389.9680 301.3798 -161831.0744 -109015.6559 299.7495 -212.3176 -191.8556 760262.7479 25.8790 25.8199 PRESSURE: 595000 -125.743 -73.1536 -13.8475 -73.1535 -14.4207 -229.759 -13.8471 -229.76 -424.806 GPRESSURE: 595000 -47.9357 -51.2748 -45.135 -73.6766 -66.6548 -265.955 -31.1474 -105.87 -363.145 PRESSAVG: 595000 3.96582 15.2737 -41.2324 15.2737 5.64433 -38.6267 -41.2324 -38.6266 -3.55371 GPRESSAVG: 595000 5.83178 15.5546 -39.4978 14.8324 4.53011 -38.3222 -42.3609 -40.4973 -3.78237 TIMING: 595000 CPU: 1938.15, 0.0031455/step Wall: 1938.15, 0.0031455/step, 3.84887 hours remaining, 230.816406 MB of memory in use. ENERGY: 595000 4042.3681 20501.2243 14447.6689 269.8720 -202980.0472 2102.4213 0.0000 0.0000 51985.7980 -109630.6944 298.7631 -161616.4924 -109270.1778 299.9992 -188.3233 -159.2452 760867.4068 2.0188 2.1932 PRESSURE: 595200 -45.6926 146.658 140.586 146.658 236.246 126.919 140.586 126.92 289.627 GPRESSURE: 595200 27.322 182.542 175.821 162.493 344.002 130.222 199.616 42.5185 206.045 PRESSAVG: 595200 25.664 32.3826 -77.9521 32.3825 -17.9848 -16.1061 -77.9521 -16.1061 5.80157 GPRESSAVG: 595200 23.7519 34.4195 -77.7113 33.361 -16.6001 -14.223 -78.0844 -16.4801 6.42931 TIMING: 595200 CPU: 1938.78, 0.0031473/step Wall: 1938.78, 0.0031473/step, 3.85089 hours remaining, 230.816406 MB of memory in use. ENERGY: 595200 4026.5178 20475.8440 14382.7368 266.4452 -203448.8914 2602.5510 0.0000 0.0000 52013.8100 -109680.9868 298.9241 -161694.7967 -109323.3593 299.3039 160.0601 192.4564 761029.1290 4.4936 4.5270 PRESSURE: 595400 -479.376 -38.9823 -296.592 -38.9822 -373.817 56.9022 -296.592 56.9017 -643.866 GPRESSURE: 595400 -461.996 -69.5712 -310.196 57.5496 -356.111 91.9027 -267.48 -38.7 -580.126 PRESSAVG: 595400 -28.2125 15.4126 -71.7029 15.4126 -23.1046 -33.2562 -71.703 -33.2563 13.6084 GPRESSAVG: 595400 -28.4741 12.3951 -74.0151 16.8257 -23.3371 -33.4365 -71.4856 -36.0979 14.5263 TIMING: 595400 CPU: 1939.41, 0.00314828/step Wall: 1939.41, 0.00314828/step, 3.85192 hours remaining, 230.816406 MB of memory in use. ENERGY: 595400 4005.2386 20450.5700 14437.4121 249.7628 -203002.0842 1992.0483 0.0000 0.0000 52171.1319 -109695.9205 299.8282 -161867.0525 -109322.2936 298.9913 -499.0200 -466.0774 762365.6472 -12.5696 -12.4283 PRESSURE: 595600 150.936 121.96 16.8897 121.96 -273.145 -77.1185 16.8893 -77.1194 -349.049 GPRESSURE: 595600 107.803 74.1491 56.4386 131.624 -256.787 -135.329 95.3587 71.3433 -236.836 PRESSAVG: 595600 40.2861 7.18868 -49.2251 7.18872 -16.1282 39.7691 -49.2251 39.7692 -8.31757 GPRESSAVG: 595600 39.8148 8.5567 -46.11 5.27098 -15.8684 39.3865 -49.2565 42.8382 -7.86084 TIMING: 595600 CPU: 1940.04, 0.00313216/step Wall: 1940.04, 0.00313216/step, 3.83203 hours remaining, 230.816406 MB of memory in use. ENERGY: 595600 4041.5602 20423.2697 14449.1297 251.1452 -203538.2268 2681.5142 0.0000 0.0000 52122.6349 -109568.9730 299.5495 -161691.6079 -109204.0657 299.4797 -157.0859 -128.6065 760700.4501 5.2801 5.3619 PRESSURE: 595800 -253.69 81.9488 31.6419 81.9485 -260.164 -68.4785 31.6419 -68.4793 -15.2344 GPRESSURE: 595800 -242.966 -1.28137 -16.9256 76.7127 -149.462 25.4078 79.7473 -131.741 -37.3123 PRESSAVG: 595800 63.3562 16.7279 12.148 16.7278 -18.8535 31.3305 12.148 31.3305 -12.6718 GPRESSAVG: 595800 63.5549 17.0516 9.97953 17.6073 -17.9948 31.1856 13.5038 28.8346 -13.0997 TIMING: 595800 CPU: 1940.67, 0.00314817/step Wall: 1940.67, 0.00314817/step, 3.85143 hours remaining, 230.816406 MB of memory in use. ENERGY: 595800 3999.3238 20615.6591 14438.4927 250.0166 -203269.4562 2237.5293 0.0000 0.0000 52227.8498 -109500.5849 300.1542 -161728.4347 -109140.9724 299.7677 -176.3629 -143.2468 760532.0986 10.6103 10.8201 PRESSURE: 596000 198.727 -148.339 104.533 -148.339 -145.452 -141.114 104.532 -141.115 -66.0464 GPRESSURE: 596000 342.497 -114.493 157.279 -176.695 -187.333 -172.515 -18.7656 -64.7613 -89.4922 PRESSAVG: 596000 34.2896 2.44396 33.9556 2.44391 -45.3278 14.771 33.9556 14.771 0.494395 GPRESSAVG: 596000 35.5862 1.88165 34.7222 3.17405 -46.4144 13.4286 33.6934 15.8124 0.101652 TIMING: 596000 CPU: 1941.3, 0.00314551/step Wall: 1941.3, 0.00314551/step, 3.848 hours remaining, 230.816406 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: 596000 4006.7278 20652.0159 14419.2855 265.0365 -203615.1133 2537.0652 0.0000 0.0000 52201.7438 -109533.2387 300.0041 -161734.9824 -109172.4866 299.7648 -4.2571 21.8907 758067.9000 -3.5146 -3.5755 PRESSURE: 596200 -116.38 104.176 -17.5935 104.177 13.0272 32.129 -17.5935 32.1284 221.136 GPRESSURE: 596200 -142.894 55.2568 40.2581 42.5713 108.323 -2.90452 5.59804 -7.52354 246.6 PRESSAVG: 596200 14.2353 9.29205 23.3937 9.2921 -6.17521 -22.3413 23.3937 -22.3413 0.971046 GPRESSAVG: 596200 12.9906 9.92942 22.382 8.95519 -5.95697 -22.2082 22.1574 -20.6272 1.85845 TIMING: 596200 CPU: 1941.93, 0.00314554/step Wall: 1941.93, 0.00314554/step, 3.84787 hours remaining, 230.816406 MB of memory in use. ENERGY: 596200 3948.2453 20535.8626 14464.3261 256.2312 -203376.7737 2505.3580 0.0000 0.0000 52062.8232 -109603.9273 299.2058 -161666.7505 -109229.9776 299.4149 39.2611 70.6761 759015.4185 3.0104 2.9640 LDB: ============= START OF LOAD BALANCING ============== 1954.35 LDB: ============== END OF LOAD BALANCING =============== 1954.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1954.35 LDB: ============= START OF LOAD BALANCING ============== 1954.66 LDB: Largest compute 7074 load 0.034371 is 17.6% of average load 0.194931 LDB: Average compute 0.004413 is 2.3% of average load 0.194931 LDB: TIME 1954.67 LOAD: AVG 0.194931 MAX 0.215972 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 1954.67 LOAD: AVG 0.194931 MAX 0.215972 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: TIME 1954.67 LOAD: AVG 0.194931 MAX 0.215972 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: ============== END OF LOAD BALANCING =============== 1954.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1954.68 PRESSURE: 596400 204.174 200.541 -132.631 200.54 -271.715 166.894 -132.631 166.894 33.5031 GPRESSURE: 596400 413.132 295.474 -250.264 93.8272 -368.696 260.837 -41.045 60.0239 4.4425 PRESSAVG: 596400 43.2805 10.9546 22.2301 10.9546 -88.5846 44.8679 22.2302 44.868 -4.09288 GPRESSAVG: 596400 43.9437 12.7303 22.8714 9.86404 -87.4106 45.4436 21.8259 42.5316 -5.80757 TIMING: 596400 CPU: 1942.57, 0.00320892/step Wall: 1942.57, 0.00320892/step, 3.92523 hours remaining, 230.613281 MB of memory in use. ENERGY: 596400 3943.2224 20314.1633 14430.2216 242.3657 -203402.6088 2455.7744 0.0000 0.0000 52465.7510 -109551.1103 301.5214 -162016.8613 -109182.1563 299.9174 -11.3458 16.2927 761293.6245 -16.4657 -16.4248 PRESSURE: 596600 79.1304 -41.5362 -24.9463 -41.5362 322.064 -59.0761 -24.947 -59.0765 86.2259 GPRESSURE: 596600 42.0888 -89.7438 -64.5403 -28.3249 347.157 -101.058 -50.4154 35.6844 202.578 PRESSAVG: 596600 52.8342 36.0759 -4.30531 36.0759 -27.3642 -3.7789 -4.30532 -3.7789 -10.8346 GPRESSAVG: 596600 52.1716 32.7122 -3.45463 36.1404 -28.043 -3.22357 -3.65976 -1.80197 -9.86885 TIMING: 596600 CPU: 1943.2, 0.00315447/step Wall: 1943.2, 0.00315447/step, 3.85844 hours remaining, 230.816406 MB of memory in use. ENERGY: 596600 3873.0865 20573.1489 14408.5428 249.2911 -203375.0904 2672.4052 0.0000 0.0000 52105.0568 -109493.5591 299.4485 -161598.6158 -109133.0600 299.3580 162.4733 197.2745 760399.5946 4.8785 4.7533 PRESSURE: 596800 40.352 -146.238 3.53893 -146.238 15.0049 -128.811 3.54035 -128.811 -40.9931 GPRESSURE: 596800 91.3671 -146.49 -39.4413 -150.528 96.3369 -153.72 10.2163 -175.763 -73.5338 PRESSAVG: 596800 28.522 -16.0273 14.5254 -16.0273 -71.2008 -34.6658 14.5254 -34.6658 8.3305 GPRESSAVG: 596800 28.4788 -13.966 13.0096 -15.6095 -71.5538 -34.9592 15.0419 -36.0511 8.91925 TIMING: 596800 CPU: 1943.83, 0.00316441/step Wall: 1943.83, 0.00316441/step, 3.87043 hours remaining, 231.019531 MB of memory in use. ENERGY: 596800 3920.6408 20643.2664 14464.5173 231.1760 -203267.0010 2469.8908 0.0000 0.0000 52168.4110 -109369.0987 299.8126 -161537.5097 -109001.5254 300.0873 4.7879 38.0567 760639.2861 -11.4494 -11.3852 PRESSURE: 597000 515.583 -139.348 45.748 -139.348 157.482 361.602 45.7481 361.601 3.21318 GPRESSURE: 597000 508.905 -105.605 128.653 -188.719 181.381 251.277 40.931 271.326 68.6281 PRESSAVG: 597000 41.4745 -8.73527 -14.9676 -8.7353 -39.5049 -4.34661 -14.9676 -4.34666 -25.4614 GPRESSAVG: 597000 41.8538 -9.60258 -14.2993 -8.84951 -38.3224 -4.52626 -16.0256 -4.63648 -26.5955 TIMING: 597000 CPU: 1944.46, 0.00313244/step Wall: 1944.46, 0.00313244/step, 3.83115 hours remaining, 231.019531 MB of memory in use. ENERGY: 597000 3944.7737 20536.2046 14445.1219 268.5262 -203613.4701 2747.2481 0.0000 0.0000 52324.1018 -109347.4938 300.7073 -161671.5956 -108989.2309 300.2255 225.4263 252.9714 760136.0889 -7.8306 -7.6880 PRESSURE: 597200 203.284 191.129 6.51269 191.128 -220.154 125.818 6.51165 125.819 277.591 GPRESSURE: 597200 240.253 301.278 33.4864 176.929 -137.453 69.9664 41.0854 97.2892 272.524 PRESSAVG: 597200 -19.339 -0.715912 6.69103 -0.716024 -37.5521 -8.53361 6.69108 -8.53358 21.9311 GPRESSAVG: 597200 -17.7669 -1.02699 5.97052 -2.56025 -39.217 -11.1224 8.02602 -8.35404 22.2122 TIMING: 597200 CPU: 1945.09, 0.00315841/step Wall: 1945.09, 0.00315841/step, 3.86274 hours remaining, 231.019531 MB of memory in use. ENERGY: 597200 4008.1656 20550.8344 14353.5555 236.5940 -203362.3604 2580.2550 0.0000 0.0000 52075.9258 -109557.0301 299.2811 -161632.9559 -109195.7469 299.6940 86.9071 125.1079 761048.7762 -11.6533 -11.5906 PRESSURE: 597400 267.324 -19.4146 -28.2207 -19.4141 203.771 30.7936 -28.2202 30.7936 127.826 GPRESSURE: 597400 297.028 -73.2409 -70.1612 -10.2486 312.239 111.891 57.9891 82.7606 90.5468 PRESSAVG: 597400 78.6228 -34.3503 -37.1979 -34.3504 -55.0166 35.3844 -37.198 35.3844 8.17757 GPRESSAVG: 597400 78.0046 -34.0481 -36.3138 -31.7176 -54.0612 39.034 -37.1135 35.4918 7.82226 TIMING: 597400 CPU: 1945.72, 0.00314863/step Wall: 1945.72, 0.00314863/step, 3.85059 hours remaining, 231.019531 MB of memory in use. ENERGY: 597400 3988.1348 20681.7979 14351.4157 250.5535 -203876.9792 2849.5146 0.0000 0.0000 52199.5424 -109556.0204 299.9915 -161755.5629 -109195.7430 299.5591 199.6403 233.2714 758402.9711 10.5946 10.5885 PRESSURE: 597600 -77.6761 121.811 74.8446 121.811 -175.388 160.022 74.8447 160.021 -131.58 GPRESSURE: 597600 23.394 55.9359 109.057 11.391 -140.911 179.045 94.3853 82.293 -160.796 PRESSAVG: 597600 12.8676 -17.6996 52.5036 -17.6996 -64.0101 21.0682 52.5036 21.0682 1.56049 GPRESSAVG: 597600 13.2394 -18.7554 52.9 -18.528 -64.6788 18.5572 54.3324 19.397 1.5504 TIMING: 597600 CPU: 1946.36, 0.0031917/step Wall: 1946.36, 0.0031917/step, 3.9031 hours remaining, 231.019531 MB of memory in use. ENERGY: 597600 4036.2058 20553.0102 14415.0873 245.9963 -203206.7721 2456.1202 0.0000 0.0000 51849.0306 -109651.3217 297.9771 -161500.3523 -109300.2187 299.8797 -128.2149 -92.7710 760007.6464 -16.5273 -16.6297 PRESSURE: 597800 66.5021 29.1489 -19.5538 29.1496 -7.32467 -8.01277 -19.5534 -8.01339 -235.138 GPRESSURE: 597800 49.9801 217.679 20.952 -4.29188 32.6995 -123.058 -161.866 -1.17383 -181.574 PRESSAVG: 597800 78.6944 -38.4681 12.5084 -38.468 -45.6767 -16.4616 12.5084 -16.4616 14.2734 GPRESSAVG: 597800 77.8791 -36.7539 12.4208 -39.5721 -45.5492 -15.7563 8.90404 -13.7177 14.6902 TIMING: 597800 CPU: 1946.99, 0.0031505/step Wall: 1946.99, 0.0031505/step, 3.85253 hours remaining, 231.019531 MB of memory in use. ENERGY: 597800 4107.9453 20548.4804 14427.7955 222.3307 -203369.1629 2489.7733 0.0000 0.0000 52226.4195 -109346.4183 300.1460 -161572.8377 -108978.3388 300.0371 -58.6535 -32.9648 758907.3450 15.7637 15.6734 PRESSURE: 598000 85.0801 -94.6891 29.9262 -94.6885 -197.751 -28.6888 29.9264 -28.6894 -160.411 GPRESSURE: 598000 189.947 -206.75 -48.8098 8.58257 -196.176 -118.567 41.9666 4.03268 -186.029 PRESSAVG: 598000 -16.8442 -61.7049 -13.5095 -61.7049 -20.2367 -9.52539 -13.5095 -9.5254 -13.6889 GPRESSAVG: 598000 -18.4177 -64.6661 -12.8166 -57.5439 -20.077 -10.42 -11.4591 -10.9144 -12.7479 TIMING: 598000 CPU: 1947.63, 0.0031916/step Wall: 1947.63, 0.0031916/step, 3.90262 hours remaining, 231.019531 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: 598000 4000.3526 20764.5717 14425.3155 251.2629 -203467.7797 2404.3299 0.0000 0.0000 52219.7002 -109402.2469 300.1073 -161621.9471 -109042.5175 300.2651 -91.0274 -64.0862 760749.4307 -16.9233 -17.0809 PRESSURE: 598200 -249.142 -133.914 -17.7047 -133.914 18.4878 -290.73 -17.7046 -290.73 117.513 GPRESSURE: 598200 -84.8148 -140.906 32.9204 -23.5042 -45.0338 -269.183 33.2078 -170.896 83.24 PRESSAVG: 598200 47.8661 -36.0735 14.576 -36.0736 21.8727 -0.127926 14.576 -0.127969 -2.48983 GPRESSAVG: 598200 49.0537 -32.8268 13.5665 -38.5481 22.0553 0.245488 15.5568 0.387698 -3.99073 TIMING: 598200 CPU: 1948.26, 0.0031504/step Wall: 1948.26, 0.0031504/step, 3.85206 hours remaining, 231.019531 MB of memory in use. ENERGY: 598200 3982.4281 20688.5003 14388.2510 239.2087 -203505.9817 2593.0796 0.0000 0.0000 52100.4610 -109514.0530 299.4221 -161614.5140 -109154.4196 300.0888 -37.7138 -15.5362 760655.6845 22.4163 22.3728 PRESSURE: 598400 376.058 -74.0667 -180.548 -74.0664 167.299 -85.208 -180.548 -85.2082 -102.629 GPRESSURE: 598400 419.982 -13.7488 -77.4761 -19.8106 146.776 18.6843 -161.232 -25.8476 -63.1631 PRESSAVG: 598400 48.168 -48.8133 33.6204 -48.8133 7.74544 2.50679 33.6205 2.50681 3.42498 GPRESSAVG: 598400 48.5303 -49.8295 33.8499 -49.1591 6.10935 3.09169 32.988 2.23711 4.12583 TIMING: 598400 CPU: 1948.89, 0.00314598/step Wall: 1948.89, 0.00314599/step, 3.84649 hours remaining, 231.019531 MB of memory in use. ENERGY: 598400 4046.4449 20724.1134 14359.3712 255.9799 -203382.0400 2523.1414 0.0000 0.0000 52156.7430 -109316.2462 299.7455 -161472.9892 -108955.9901 299.8342 146.9091 167.8652 760579.0346 19.7795 19.5885 PRESSURE: 598600 -142.85 -69.3412 -11.3032 -69.3405 -133.34 -6.65648 -11.3026 -6.65628 -79.3822 GPRESSURE: 598600 -170.834 -186.7 75.9484 16.3022 20.2197 10.5309 -103.677 -54.2912 -119.569 PRESSAVG: 598600 4.79282 -100.906 -8.38736 -100.906 -9.54686 23.406 -8.38733 23.406 7.12511 GPRESSAVG: 598600 3.96468 -104.481 -7.84187 -99.946 -8.02101 23.3186 -9.62353 24.7053 6.10308 TIMING: 598600 CPU: 1949.52, 0.00313773/step Wall: 1949.52, 0.00313773/step, 3.83622 hours remaining, 231.019531 MB of memory in use. ENERGY: 598600 3988.6279 20493.9937 14373.8663 248.0790 -203171.3128 2415.1400 0.0000 0.0000 52348.0789 -109303.5271 300.8451 -161651.6059 -108921.9528 300.1290 -118.5241 -90.0610 762973.8112 0.7904 0.6822 PRESSURE: 598800 -282.563 -126.09 2.65573 -126.09 48.4145 -267.854 2.65596 -267.853 -37.7663 GPRESSURE: 598800 -249.363 -126.451 -35.6816 -144.307 107.979 -246.223 8.70032 -168.414 -37.7353 PRESSAVG: 598800 15.1516 -102.248 -4.5338 -102.248 -4.01166 -21.9885 -4.53382 -21.9884 -6.04195 GPRESSAVG: 598800 16.4346 -100.025 -4.74292 -101.356 -4.91659 -23.2206 -6.03117 -21.9204 -6.06116 TIMING: 598800 CPU: 1950.15, 0.00315887/step Wall: 1950.15, 0.00315887/step, 3.8619 hours remaining, 231.019531 MB of memory in use. ENERGY: 598800 4004.0814 20488.6575 14410.2328 257.6012 -203448.1735 2649.0544 0.0000 0.0000 52133.2299 -109505.3164 299.6104 -161638.5463 -109126.5373 299.8744 -90.6384 -59.7064 762089.1223 1.6993 1.8190 PRESSURE: 599000 -411.373 -90.9503 -81.2206 -90.9506 -44.0293 -111.838 -81.2205 -111.839 -338.289 GPRESSURE: 599000 -289.283 -99.9745 -95.5414 -80.7638 -61.2132 -128.492 -17.9017 -189.508 -353.93 PRESSAVG: 599000 6.77718 -64.6296 -23.6968 -64.6296 -10.2818 -41.8642 -23.6968 -41.8641 -30.8934 GPRESSAVG: 599000 5.29838 -63.4278 -23.97 -67.5272 -9.29818 -39.6709 -22.3433 -43.3298 -30.1012 TIMING: 599000 CPU: 1950.77, 0.00313806/step Wall: 1950.77, 0.00313806/step, 3.83628 hours remaining, 231.019531 MB of memory in use. ENERGY: 599000 4021.3634 20574.5128 14422.1872 275.1541 -203528.4853 2410.4582 0.0000 0.0000 52128.9028 -109695.9068 299.5855 -161824.8095 -109322.4106 300.2697 -264.5640 -234.8086 760017.5236 -11.4660 -11.3670 PRESSURE: 599200 171.227 41.7546 -86.1199 41.7559 10.0808 -22.6937 -86.1203 -22.6927 -284.13 GPRESSURE: 599200 188.142 63.959 -88.1365 -19.1522 25.6628 67.0157 0.340379 12.208 -233.399 PRESSAVG: 599200 29.0286 -41.3191 -16.0781 -41.3191 -40.5983 3.95298 -16.0781 3.95298 -22.0355 GPRESSAVG: 599200 29.7759 -43.2986 -16.2032 -41.0838 -41.0561 3.68279 -14.4413 1.36547 -22.8393 TIMING: 599200 CPU: 1951.4, 0.00314674/step Wall: 1951.4, 0.00314674/step, 3.84671 hours remaining, 231.019531 MB of memory in use. ENERGY: 599200 4013.1541 20560.2104 14435.5874 252.4352 -203786.8479 2631.2478 0.0000 0.0000 52195.8183 -109698.3947 299.9701 -161894.2130 -109329.3809 299.5854 -34.2743 -6.5314 760633.0858 -11.2017 -11.3732 PRESSURE: 599400 129.685 80.7086 310.8 80.7087 -266.267 74.3064 310.801 74.3056 159.321 GPRESSURE: 599400 65.1146 40.2703 214.224 105.915 -79.8815 16.2819 280.467 18.6116 114.026 PRESSAVG: 599400 42.7781 5.28078 -3.3403 5.28078 -65.1868 -16.2929 -3.3403 -16.2929 9.58656 GPRESSAVG: 599400 42.5901 4.93862 -2.82369 6.17132 -64.6856 -17.1989 -4.95156 -13.3197 9.42015 TIMING: 599400 CPU: 1952.03, 0.00314006/step Wall: 1952.03, 0.00314006/step, 3.83837 hours remaining, 231.019531 MB of memory in use. ENERGY: 599400 3908.3343 20640.1470 14455.1644 229.9180 -203799.2383 2644.7287 0.0000 0.0000 52255.8333 -109665.1124 300.3150 -161920.9458 -109294.6442 299.6088 7.5794 33.0865 760215.7907 -4.2740 -4.2251 PRESSURE: 599600 135.471 -175.719 -31.5069 -175.72 294.114 -63.7544 -31.5066 -63.7546 464.239 GPRESSURE: 599600 239.639 -143.483 -11.9324 -117.918 326.724 56.0438 23.788 -7.29816 426.637 PRESSAVG: 599600 103.787 -59.2903 44.0254 -59.2903 -59.5271 5.93924 44.0254 5.93925 26.5295 GPRESSAVG: 599600 102.828 -57.7251 42.3263 -60.1728 -58.4138 6.5849 46.3361 6.41257 26.4471 TIMING: 599600 CPU: 1952.67, 0.00316587/step Wall: 1952.67, 0.00316587/step, 3.86975 hours remaining, 231.019531 MB of memory in use. ENERGY: 599600 3994.4030 20532.3176 14438.7646 273.7107 -203786.3326 2659.1977 0.0000 0.0000 52340.6806 -109547.2584 300.8026 -161887.9390 -109183.7925 300.4959 297.9414 331.0004 759636.9181 23.5963 23.6203 PRESSURE: 599800 39.2628 -110.225 -79.3582 -110.225 -134.057 -36.5883 -79.3582 -36.589 33.0303 GPRESSURE: 599800 77.5788 -112.247 -54.7809 -107.012 -110 -79.8366 -47.5162 -51.0293 52.7413 PRESSAVG: 599800 41.993 -27.9739 21.0045 -27.9739 -59.3854 -3.04555 21.0045 -3.04559 13.0274 GPRESSAVG: 599800 42.54 -30.1671 21.1935 -28.5757 -59.6231 -1.91899 19.7264 -5.9847 12.493 TIMING: 599800 CPU: 1953.3, 0.00316373/step Wall: 1953.3, 0.00316373/step, 3.86696 hours remaining, 231.019531 MB of memory in use. ENERGY: 599800 4063.5789 20450.7378 14443.2653 252.4980 -203718.9529 2551.0227 0.0000 0.0000 52265.1621 -109692.6881 300.3686 -161957.8502 -109326.2161 299.6158 -20.5881 6.7734 762107.3379 -1.4550 -1.5300 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.014 seconds, 231.020 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600000 -171.895 -14.6208 -168.136 -14.6214 -44.0431 119.067 -168.135 119.067 26.1779 GPRESSURE: 600000 -228.901 79.6387 -51.5493 -70.1162 112.362 25.0345 -0.71584 163.78 11.1396 PRESSAVG: 600000 -5.55969 -63.5119 17.5937 -63.5119 -4.41995 2.48258 17.5937 2.48253 -22.7232 GPRESSAVG: 600000 -4.92855 -64.3417 17.458 -63.6394 -5.05264 1.05516 19.9864 4.09159 -22.6918 TIMING: 600000 CPU: 1953.95, 0.00327974/step Wall: 1953.95, 0.00327974/step, 4.00857 hours remaining, 231.019531 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: 600000 4089.9854 20562.9779 14356.9587 252.5844 -203667.4696 2674.8405 0.0000 0.0000 52195.6770 -109534.4457 299.9693 -161730.1227 -109162.8723 299.9421 -63.2533 -35.1331 761353.1465 -10.9010 -10.8910 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 PRESSURE: 600200 -142.362 -245.83 -71.7476 -245.83 122.094 -171.61 -71.7471 -171.61 -151.858 GPRESSURE: 600200 -91.561 -252.366 -26.7679 -72.8302 135.582 -129.768 -124.442 -130.057 -122.973 PRESSAVG: 600200 -15.2021 -53.6396 -10.1659 -53.6396 -7.44221 -27.2821 -10.166 -27.2821 9.65326 GPRESSAVG: 600200 -16.3202 -50.8221 -9.47873 -53.5626 -7.31669 -25.4768 -14.4445 -28.8537 10.5408 TIMING: 600200 CPU: 1954.59, 0.00316139/step Wall: 1954.59, 0.00316139/step, 3.86374 hours remaining, 231.019531 MB of memory in use. ENERGY: 600200 4028.8082 20597.8946 14492.9643 247.3111 -203982.5585 2534.4768 0.0000 0.0000 52240.9458 -109840.1578 300.2294 -162081.1035 -109473.2463 300.1482 -57.3752 -26.3172 759801.1288 -4.3304 -4.3654 LDB: ============= START OF LOAD BALANCING ============== 1967.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1967.01 LDB: =============== DONE WITH MIGRATION ================ 1967.01 LDB: ============= START OF LOAD BALANCING ============== 1967.33 LDB: Largest compute 7074 load 0.034396 is 17.6% of average load 0.194983 LDB: Average compute 0.004405 is 2.3% of average load 0.194983 LDB: TIME 1967.33 LOAD: AVG 0.194983 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.84 MB LDB: TIME 1967.33 LOAD: AVG 0.194983 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.84 MB LDB: TIME 1967.33 LOAD: AVG 0.194983 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.84 MB LDB: ============== END OF LOAD BALANCING =============== 1967.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1967.34 PRESSURE: 600400 -27.5029 -208.688 -167.1 -208.688 64.7293 -53.3909 -167.1 -53.3905 78.4363 GPRESSURE: 600400 -12.1118 -128.758 -197.383 -181.361 97.7786 26.1878 51.0006 -200.078 99.8284 PRESSAVG: 600400 34.6404 -85.8758 42.7311 -85.8758 -45.5337 -38.0206 42.731 -38.0207 7.69233 GPRESSAVG: 600400 36.1059 -86.4042 43.9929 -84.2134 -46.7166 -39.3336 45.7985 -36.4776 7.16535 TIMING: 600400 CPU: 1955.23, 0.00321932/step Wall: 1955.23, 0.00321932/step, 3.93436 hours remaining, 230.746094 MB of memory in use. ENERGY: 600400 3952.9897 20746.6431 14427.2954 225.7382 -203745.5546 2434.0775 0.0000 0.0000 52001.3782 -109957.4326 298.8526 -161958.8107 -109606.7693 298.8236 38.5542 61.8317 759479.1960 -1.0670 -1.1484 PRESSURE: 600600 385.526 177.227 -171.879 177.227 59.2599 216.993 -171.878 216.992 635.643 GPRESSURE: 600600 386.514 97.0806 -120.789 23.1975 213.094 228.206 -225.754 57.435 566.301 PRESSAVG: 600600 67.1624 -59.1295 -2.85077 -59.1295 -45.0701 -40.0127 -2.85072 -40.0127 25.6682 GPRESSAVG: 600600 66.6967 -59.8844 -3.06644 -60.7475 -43.8393 -39.0953 -3.51473 -42.1597 25.248 TIMING: 600600 CPU: 1955.86, 0.00316841/step Wall: 1955.86, 0.00316841/step, 3.87197 hours remaining, 230.746094 MB of memory in use. ENERGY: 600600 3940.4179 20602.7286 14483.2443 242.2366 -203836.2048 2756.0678 0.0000 0.0000 52002.9664 -109808.5432 298.8618 -161811.5096 -109450.0007 298.9005 360.1431 388.6364 760852.0248 15.9202 16.0351 PRESSURE: 600800 307.49 10.9773 -146.915 10.977 -4.57568 -242.553 -146.914 -242.552 216.771 GPRESSURE: 600800 328.251 -6.14923 -180.89 -60.8418 11.4371 -183.928 -46.2836 -177.862 283.826 PRESSAVG: 600800 -5.66598 -18.2405 -20.9299 -18.2405 15.3183 -6.56769 -20.9298 -6.56769 -7.41437 GPRESSAVG: 600800 -6.56298 -20.3508 -22.8648 -17.3574 14.5216 -7.532 -19.2191 -2.73126 -5.68882 TIMING: 600800 CPU: 1956.5, 0.00316313/step Wall: 1956.5, 0.00316313/step, 3.86534 hours remaining, 230.746094 MB of memory in use. ENERGY: 600800 3989.0993 20557.5936 14445.3944 243.9690 -203601.2066 2505.1509 0.0000 0.0000 52072.7680 -109787.2315 299.2629 -161859.9995 -109425.3117 299.3649 173.2285 207.8381 759907.4881 0.7460 0.7566 PRESSURE: 601000 439.988 -107.887 82.6294 -107.888 47.9668 -66.0356 82.6292 -66.0358 30.9517 GPRESSURE: 601000 421.528 14.0923 46.9784 -109.221 153.478 -160.85 -25.3938 13.8781 38.1563 PRESSAVG: 601000 -5.07142 -62.1778 -5.75919 -62.1778 -19.8858 -9.23458 -5.75912 -9.23457 -20.1554 GPRESSAVG: 601000 -4.34015 -57.7616 -4.38857 -63.9952 -20.2255 -10.8133 -7.86784 -9.87209 -21.2212 TIMING: 601000 CPU: 1957.14, 0.00321264/step Wall: 1957.14, 0.00321264/step, 3.92566 hours remaining, 230.746094 MB of memory in use. ENERGY: 601000 4085.5490 20544.6246 14374.7612 251.0161 -203856.7159 2696.9075 0.0000 0.0000 52054.9188 -109848.9385 299.1603 -161903.8574 -109494.9142 298.8571 172.9688 204.3875 759753.1614 -15.0375 -15.2623 PRESSURE: 601200 103.473 -120.516 56.551 -120.516 -202.57 62.6728 56.5517 62.6741 -294.909 GPRESSURE: 601200 129.371 -61.4353 56.4093 -45.2511 -106.476 131.105 -16.4373 89.5312 -331.608 PRESSAVG: 601200 -14.4907 -59.3648 25.9442 -59.3647 -21.3665 -17.3666 25.9442 -17.3666 18.0208 GPRESSAVG: 601200 -15.6631 -60.5167 27.5609 -58.8951 -20.9141 -15.5569 24.2268 -18.3803 18.4082 TIMING: 601200 CPU: 1957.78, 0.00319403/step Wall: 1957.78, 0.00319403/step, 3.90276 hours remaining, 230.746094 MB of memory in use. ENERGY: 601200 3947.2715 20388.9876 14402.5182 225.9832 -203680.1730 2649.1810 0.0000 0.0000 52142.6476 -109923.5840 299.6645 -162066.2316 -109553.6188 298.3402 -131.3351 -102.9043 760451.2594 -5.9455 -6.0563 PRESSURE: 601400 142.211 -19.0303 -164.975 -19.0304 321.214 149.837 -164.975 149.836 -83.1632 GPRESSURE: 601400 331.307 18.3986 -173.063 52.2791 245.363 178.303 -162.962 -36.2696 -96.1232 PRESSAVG: 601400 50.3675 34.3257 29.3947 34.3257 -43.3695 -61.5178 29.3948 -61.5179 -11.778 GPRESSAVG: 601400 50.523 32.8226 28.0825 34.5233 -43.8313 -61.3275 29.6327 -60.882 -10.9281 TIMING: 601400 CPU: 1958.41, 0.00315848/step Wall: 1958.41, 0.00315848/step, 3.85914 hours remaining, 230.746094 MB of memory in use. ENERGY: 601400 3963.4274 20516.5270 14436.4603 258.3586 -203562.5148 2646.3987 0.0000 0.0000 52014.7913 -109726.5514 298.9297 -161741.3427 -109364.1753 299.0287 126.7536 160.1822 760211.5229 -1.5933 -1.4122 PRESSURE: 601600 -400.198 11.2858 137.922 11.2858 243.226 68.8255 137.922 68.8256 -190.638 GPRESSURE: 601600 -262.981 -102.475 39.9534 -6.3731 135.701 149.715 90.623 73.7042 -136.111 PRESSAVG: 601600 70.7759 0.619579 -54.9886 0.619622 -57.7556 -18.1072 -54.9886 -18.1073 -11.7499 GPRESSAVG: 601600 71.9869 0.283977 -55.7664 2.09171 -58.2319 -18.7715 -52.6675 -18.5161 -12.4032 TIMING: 601600 CPU: 1959.05, 0.00318896/step Wall: 1959.05, 0.00318896/step, 3.8962 hours remaining, 230.746094 MB of memory in use. ENERGY: 601600 3955.3851 20584.7469 14343.1641 242.8663 -203427.6315 2455.0278 0.0000 0.0000 51998.8240 -109847.6173 298.8380 -161846.4413 -109486.3678 299.4953 -115.8701 -87.7968 761465.3757 0.4235 0.4506 PRESSURE: 601800 81.2764 41.9136 49.7233 41.9132 46.0779 182.434 49.7236 182.435 508.965 GPRESSURE: 601800 173.793 -42.3607 32.3567 32.4312 61.7119 229.477 58.602 101.588 488.434 PRESSAVG: 601800 -20.4292 -26.3161 -8.22679 -26.3161 31.4635 7.4513 -8.22676 7.45135 -5.90145 GPRESSAVG: 601800 -21.3098 -25.1145 -7.29234 -27.6716 31.8346 7.13401 -7.08769 8.49539 -5.76096 TIMING: 601800 CPU: 1959.68, 0.00318846/step Wall: 1959.68, 0.00318846/step, 3.89541 hours remaining, 230.746094 MB of memory in use. ENERGY: 601800 3965.1258 20707.4790 14423.7442 228.3340 -203612.2929 2655.6102 0.0000 0.0000 52021.6544 -109610.3454 298.9692 -161631.9997 -109248.4618 299.0916 212.1063 241.3130 759286.2432 1.7110 1.5880 PRESSURE: 602000 79.1469 -115.022 119.897 -115.022 18.3026 -10.3349 119.898 -10.3353 -25.6085 GPRESSURE: 602000 80.0037 -203.343 121.127 -61.3068 105.935 -46.9873 130.229 102.956 -27.6769 PRESSAVG: 602000 0.0390455 -24.1169 10.725 -24.1169 53.6574 -16.2215 10.7251 -16.2215 26.6095 GPRESSAVG: 602000 -0.228065 -25.4788 10.64 -24.048 54.2234 -16.2008 8.11601 -16.9508 26.0441 TIMING: 602000 CPU: 1960.32, 0.00316916/step Wall: 1960.32, 0.00316916/step, 3.87166 hours remaining, 230.746094 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: 602000 3937.3725 20459.2014 14413.1887 249.8708 -203522.8950 2803.5933 0.0000 0.0000 52081.1601 -109578.5082 299.3111 -161659.6682 -109200.9343 299.2044 23.9470 52.7540 760223.8316 26.7687 26.6798 PRESSURE: 602200 -212.43 -115.03 19.9554 -115.029 64.8936 -284.954 19.9553 -284.953 -334.566 GPRESSURE: 602200 -213.971 97.7754 141.76 -88.5071 92.5646 -232.962 -130.937 -202.296 -275.502 PRESSAVG: 602200 -31.5786 -25.6304 42.167 -25.6304 24.1525 -57.0906 42.167 -57.0905 23.7672 GPRESSAVG: 602200 -31.595 -25.3001 41.2343 -24.6996 23.7295 -56.6911 44.7608 -55.7027 24.3566 TIMING: 602200 CPU: 1960.95, 0.00313621/step Wall: 1960.95, 0.00313621/step, 3.83122 hours remaining, 230.746094 MB of memory in use. ENERGY: 602200 4023.7212 20663.3923 14399.7131 250.8019 -203300.7664 2314.5469 0.0000 0.0000 51988.7873 -109659.8036 298.7803 -161648.5909 -109297.4239 299.8747 -160.7008 -132.3027 760863.5922 5.4471 5.4970 PRESSURE: 602400 301.411 -73.0058 -282.249 -73.0055 66.3738 65.7321 -282.249 65.7322 -349.259 GPRESSURE: 602400 256.48 18.297 -253.814 16.0171 78.7567 51.5961 -182.419 57.9001 -224.119 PRESSAVG: 602400 -5.08523 -31.7478 14.6727 -31.7478 33.6816 34.4608 14.6727 34.4609 -18.3275 GPRESSAVG: 602400 -4.53914 -29.6922 15.8085 -31.0305 32.977 35.7433 15.713 30.0253 -17.7089 TIMING: 602400 CPU: 1961.58, 0.00316075/step Wall: 1961.58, 0.00316075/step, 3.86104 hours remaining, 230.746094 MB of memory in use. ENERGY: 602400 4019.6830 20513.4952 14508.2675 231.3627 -203994.5008 2861.4994 0.0000 0.0000 52130.0845 -109730.1084 299.5923 -161860.1929 -109373.9212 299.5203 6.1753 37.0393 761698.6012 3.4229 3.5763 PRESSURE: 602600 -86.3876 142.568 93.2466 142.568 322.385 22.8713 93.2469 22.8707 -3.79316 GPRESSURE: 602600 -45.4495 75.8069 89.4063 103.703 358.667 60.6921 66.7928 91.2953 8.10053 PRESSAVG: 602600 -15.8576 -13.8153 7.80673 -13.8153 15.2779 28.8308 7.80679 28.8308 2.81307 GPRESSAVG: 602600 -16.2368 -13.876 7.45036 -15.3645 15.3698 27.518 7.28295 35.5022 2.46049 TIMING: 602600 CPU: 1962.21, 0.00314849/step Wall: 1962.21, 0.00314849/step, 3.84588 hours remaining, 230.746094 MB of memory in use. ENERGY: 602600 4015.6563 20408.5348 14563.8098 265.6923 -203784.5249 2742.1547 0.0000 0.0000 52097.6392 -109691.0378 299.4058 -161788.6770 -109339.5999 299.4106 77.4015 107.1059 760548.1060 0.7445 0.5312 PRESSURE: 602800 -253.666 -26.0602 183.605 -26.0603 -317.21 81.7193 183.605 81.7187 -39.3747 GPRESSURE: 602800 -187.011 -72.8386 210.865 -42.3909 -275.162 -66.5688 44.207 87.2034 -66.3163 PRESSAVG: 602800 -53.5742 -70.0299 23.7701 -70.0299 26.696 9.26033 23.7701 9.26034 -17.7718 GPRESSAVG: 602800 -53.6113 -71.4703 24.239 -69.8211 26.9654 9.09057 21.4853 4.40628 -18.5612 TIMING: 602800 CPU: 1962.83, 0.0031368/step Wall: 1962.83, 0.0031368/step, 3.83143 hours remaining, 230.746094 MB of memory in use. ENERGY: 602800 4003.3806 20406.7863 14459.0471 251.2911 -203648.5427 2753.4571 0.0000 0.0000 52120.5544 -109654.0262 299.5375 -161774.5806 -109283.8712 299.2278 -203.4168 -176.1631 759999.3903 -14.8833 -15.0690 PRESSURE: 603000 -22.501 -6.07365 83.76 -6.0731 -323.662 71.8117 83.7595 71.8131 -417.034 GPRESSURE: 603000 0.133457 -17.0529 139.355 -107.094 -322.816 96.3013 117.796 -1.25916 -357.88 PRESSAVG: 603000 4.51154 9.07158 63.2205 9.07163 33.5065 -8.25122 63.2205 -8.25127 10.6209 GPRESSAVG: 603000 3.8333 10.1404 63.4771 11.155 34.0493 -7.02572 65.2355 -5.81337 11.1338 TIMING: 603000 CPU: 1963.46, 0.00314047/step Wall: 1963.46, 0.00314047/step, 3.83574 hours remaining, 230.746094 MB of memory in use. ENERGY: 603000 3997.0312 20492.0092 14441.8382 234.4654 -203099.2446 2136.6039 0.0000 0.0000 52195.7291 -109601.5676 299.9696 -161797.2967 -109251.9269 299.6169 -254.3991 -226.8544 761030.5772 16.2130 16.3388 PRESSURE: 603200 -68.2958 -43.6824 62.4708 -43.6809 -72.5005 262.751 62.4707 262.751 503.603 GPRESSURE: 603200 28.6833 31.3458 105.965 -5.48028 -70.2151 184.517 -32.2655 351.895 484.075 PRESSAVG: 603200 3.07445 -17.8566 51.2307 -17.8566 -35.2342 29.4606 51.2307 29.4606 -11.7955 GPRESSAVG: 603200 3.12224 -17.5184 51.0029 -19.0192 -35.6275 29.0584 48.6328 27.2507 -12.0186 TIMING: 603200 CPU: 1964.09, 0.00313153/step Wall: 1964.09, 0.00313153/step, 3.82465 hours remaining, 230.746094 MB of memory in use. ENERGY: 603200 4026.3032 20619.5600 14403.2734 268.9805 -204103.9513 2981.2155 0.0000 0.0000 52159.4289 -109645.1899 299.7610 -161804.6188 -109286.2279 299.1706 120.9355 147.5143 759866.3752 -14.6518 -14.8413 PRESSURE: 603400 -18.8102 -258.807 -94.3917 -258.807 -35.5667 -136.075 -94.3912 -136.076 139.06 GPRESSURE: 603400 20.5377 -228.148 -107.46 -293.134 38.7186 -109.876 -83.7708 -139.344 116.112 PRESSAVG: 603400 40.7013 -43.0818 51.0271 -43.0817 5.32294 -11.7033 51.0271 -11.7033 21.0123 GPRESSAVG: 603400 41.2523 -42.1457 51.7161 -43.9524 4.49198 -10.4371 53.3024 -9.4996 21.3696 TIMING: 603400 CPU: 1964.72, 0.00312977/step Wall: 1964.72, 0.00312977/step, 3.82232 hours remaining, 230.746094 MB of memory in use. ENERGY: 603400 3990.1918 20558.5732 14394.3676 253.4585 -203826.2172 2841.7587 0.0000 0.0000 51958.6961 -109829.1713 298.6073 -161787.8674 -109475.6846 299.6065 28.2276 58.4560 759584.3483 22.3455 22.3713 PRESSURE: 603600 -67.616 5.51376 271.066 5.51365 220.688 -73.6623 271.066 -73.6625 -101.008 GPRESSURE: 603600 6.96941 44.2471 292.057 24.2432 266.837 -70.8898 232.047 -83.4553 -138.838 PRESSAVG: 603600 -13.4513 -5.38926 -16.1768 -5.38924 -32.2955 -14.1325 -16.1768 -14.1325 -0.782768 GPRESSAVG: 603600 -12.9083 -7.50764 -17.1566 -4.50292 -33.0243 -15.9467 -16.4687 -15.0087 -0.551972 TIMING: 603600 CPU: 1965.34, 0.00314607/step Wall: 1965.34, 0.00314607/step, 3.84205 hours remaining, 230.746094 MB of memory in use. ENERGY: 603600 3969.3628 20380.0672 14463.2143 238.3250 -203591.0042 2621.9832 0.0000 0.0000 52030.0872 -109887.9643 299.0176 -161918.0516 -109524.7731 298.9191 17.3546 44.9896 759931.7501 -15.5099 -15.4948 PRESSURE: 603800 -47.0572 3.85238 76.7317 3.85207 -141.678 119.713 76.7326 119.713 22.3577 GPRESSURE: 603800 35.7324 30.5358 27.1067 -98.2191 -72.8108 98.6206 64.0354 200.698 -51.435 PRESSAVG: 603800 -5.19163 -34.1818 41.114 -34.1818 -7.2731 -14.2952 41.1141 -14.2952 23.4575 GPRESSAVG: 603800 -6.93237 -33.5089 40.2491 -32.357 -5.25358 -15.0226 41.2813 -13.1045 22.7491 TIMING: 603800 CPU: 1965.98, 0.00315966/step Wall: 1965.98, 0.00315966/step, 3.85847 hours remaining, 230.746094 MB of memory in use. ENERGY: 603800 4031.1868 20444.7242 14364.4349 244.1996 -203592.4588 2385.6783 0.0000 0.0000 52207.7297 -109914.5051 300.0385 -162122.2349 -109542.0333 298.7807 -55.4591 -29.5045 760290.0040 3.6642 3.5210 PRESSURE: 604000 241.442 67.8601 34.6135 67.8609 43.0418 -169.767 34.6136 -169.768 -266.864 GPRESSURE: 604000 308.09 -36.2904 25.1582 62.8702 63.3081 -139.688 47.1423 -177.469 -280.238 PRESSAVG: 604000 12.5693 -20.7249 25.8554 -20.7249 11.3418 12.2978 25.8554 12.2977 -0.0167109 GPRESSAVG: 604000 14.5818 -19.4806 25.5911 -24.0948 9.41844 14.4459 24.1017 11.5131 0.177921 TIMING: 604000 CPU: 1966.61, 0.00316/step Wall: 1966.61, 0.00316/step, 3.85871 hours remaining, 230.746094 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: 604000 3946.7927 20623.2422 14427.0213 247.0205 -203615.4090 2492.5647 0.0000 0.0000 52009.5388 -109869.2288 298.8995 -161878.7677 -109503.6584 298.9356 5.8734 30.3866 761432.2895 7.9648 8.0594 PRESSURE: 604200 -204.898 37.7602 17.642 37.7606 64.3474 49.6107 17.6417 49.6113 7.87768 GPRESSURE: 604200 -85.3402 116.167 -131.646 45.1519 -3.77277 60.0199 -76.3435 -38.9504 36.0593 PRESSAVG: 604200 43.6857 -3.23314 -4.59915 -3.23321 2.43251 -30.617 -4.59909 -30.617 1.2741 GPRESSAVG: 604200 43.7765 -5.73762 -4.71367 -4.45067 2.72481 -30.3674 -3.26217 -32.533 1.78514 TIMING: 604200 CPU: 1967.24, 0.00313946/step Wall: 1967.24, 0.00313946/step, 3.83346 hours remaining, 230.746094 MB of memory in use. ENERGY: 604200 4001.0755 20583.0265 14443.8012 246.2086 -203694.9765 2550.3046 0.0000 0.0000 52154.4758 -109716.0843 299.7325 -161870.5600 -109354.9094 299.5858 -44.2243 -17.6845 760007.8276 15.7974 16.0955 LDB: ============= START OF LOAD BALANCING ============== 1979.66 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1979.66 LDB: =============== DONE WITH MIGRATION ================ 1979.66 LDB: ============= START OF LOAD BALANCING ============== 1979.98 LDB: Largest compute 7025 load 0.034031 is 17.5% of average load 0.194972 LDB: Average compute 0.004399 is 2.3% of average load 0.194972 LDB: TIME 1979.98 LOAD: AVG 0.194972 MAX 0.215249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.234 MB LDB: TIME 1979.98 LOAD: AVG 0.194972 MAX 0.215249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.234 MB LDB: TIME 1979.98 LOAD: AVG 0.194972 MAX 0.215249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.234 MB LDB: ============== END OF LOAD BALANCING =============== 1979.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1979.99 PRESSURE: 604400 -31.5388 43.2076 39.8904 43.2078 -363.001 -179.347 39.8906 -179.347 12.0715 GPRESSURE: 604400 56.7388 102.199 57.5918 91.0204 -277.943 -159.189 178.185 -139.131 -73.2461 PRESSAVG: 604400 29.4422 -54.2448 2.17185 -54.2448 -21.6272 -9.64396 2.17187 -9.64392 8.41004 GPRESSAVG: 604400 28.8017 -51.6148 3.60467 -52.9408 -21.4311 -11.2167 1.92871 -7.98295 9.17183 TIMING: 604400 CPU: 1967.88, 0.00322019/step Wall: 1967.88, 0.00322018/step, 3.93185 hours remaining, 230.546875 MB of memory in use. ENERGY: 604400 3978.0533 20335.6728 14464.2803 253.7246 -203473.3870 2405.8647 0.0000 0.0000 52360.7356 -109675.0557 300.9179 -162035.7913 -109295.3684 299.5715 -127.4893 -98.1501 760684.1718 5.4083 5.5141 PRESSURE: 604600 -100.867 71.3024 -97.9056 71.3027 -180.881 -51.4342 -97.9062 -51.4344 -182.052 GPRESSURE: 604600 -159.191 33.2075 -10.7373 92.7055 -113.284 -17.5853 -107.033 -69.8678 -114.741 PRESSAVG: 604600 -36.2469 -11.4198 0.425649 -11.4197 28.8705 -13.578 0.425639 -13.5779 -10.1746 GPRESSAVG: 604600 -35.1439 -11.2088 -1.56506 -10.6347 28.9599 -12.2054 1.30856 -15.528 -11.3094 TIMING: 604600 CPU: 1968.51, 0.00314934/step Wall: 1968.51, 0.00314934/step, 3.84517 hours remaining, 230.910156 MB of memory in use. ENERGY: 604600 4039.0857 20628.6167 14428.6483 239.9716 -203522.1727 2484.4717 0.0000 0.0000 51918.1982 -109783.1805 298.3746 -161701.3787 -109425.7509 299.1047 -154.6003 -129.0721 760215.8871 -5.8503 -5.8311 PRESSURE: 604800 205.054 67.2745 53.0151 67.2748 66.4816 26.7407 53.0161 26.7408 -334.517 GPRESSURE: 604800 100.933 60.3841 15.5058 70.7504 87.1148 39.9418 29.1893 92.703 -150.107 PRESSAVG: 604800 15.5117 6.89037 18.5231 6.89038 -23.7094 -63.9101 18.5231 -63.91 12.482 GPRESSAVG: 604800 14.251 4.91087 18.738 6.17698 -22.1536 -63.6728 16.6864 -61.9679 12.7229 TIMING: 604800 CPU: 1969.14, 0.00314717/step Wall: 1969.14, 0.00314717/step, 3.84234 hours remaining, 231.109375 MB of memory in use. ENERGY: 604800 4105.7891 20419.2707 14361.3670 256.2092 -203929.6028 2728.6647 0.0000 0.0000 52166.8314 -109891.4707 299.8035 -162058.3021 -109524.2108 298.9144 -20.9937 12.6472 759253.8189 1.4281 1.6068 PRESSURE: 605000 177.368 194.129 11.2735 194.129 210.247 -142.47 11.2738 -142.469 46.3589 GPRESSURE: 605000 219.749 284.712 -16.1213 177.723 239.034 -126.091 71.2535 -243.8 72.4283 PRESSAVG: 605000 21.1973 23.0016 -1.58002 23.0016 -33.9801 -83.7326 -1.58006 -83.7326 2.26777 GPRESSAVG: 605000 22.6657 23.9287 -0.867593 22.7634 -35.1112 -84.601 -0.347569 -83.9813 2.34649 TIMING: 605000 CPU: 1969.77, 0.00312743/step Wall: 1969.77, 0.00312743/step, 3.81807 hours remaining, 231.109375 MB of memory in use. ENERGY: 605000 3985.3131 20646.8859 14400.8274 258.9486 -203341.6682 2430.7217 0.0000 0.0000 51707.6041 -109911.3675 297.1643 -161618.9716 -109553.8300 299.1648 144.6580 177.0703 760112.5144 -3.5050 -3.3664 PRESSURE: 605200 -10.3846 33.7808 231.657 33.7805 -34.7009 -123.091 231.658 -123.091 267.172 GPRESSURE: 605200 11.4897 -128.366 259.446 79.8876 9.53764 -125.011 93.4323 -92.2467 302.322 PRESSAVG: 605200 -41.5212 37.6197 34.4136 37.6197 31.8463 -37.1623 34.4136 -37.1624 -34.0343 GPRESSAVG: 605200 -42.4123 35.6564 36.1896 39.84 31.9216 -37.665 30.4037 -33.9599 -33.3511 TIMING: 605200 CPU: 1970.39, 0.00312756/step Wall: 1970.39, 0.00312756/step, 3.81806 hours remaining, 231.109375 MB of memory in use. ENERGY: 605200 4026.2142 20569.9585 14352.9016 235.8868 -203532.0773 2575.7844 0.0000 0.0000 51935.8531 -109835.4786 298.4761 -161771.3317 -109475.5344 298.9113 74.0288 107.7830 759845.3953 -14.5697 -14.6139 PRESSURE: 605400 206.96 -153.787 257.4 -153.788 -67.2276 123.981 257.401 123.98 16.9651 GPRESSURE: 605400 274.164 -220.82 236.654 -21.8187 -78.2467 159.284 269.014 141.473 53.8773 PRESSAVG: 605400 -4.57071 -0.878282 37.0902 -0.878344 27.9759 -39.3869 37.0902 -39.3869 -4.30473 GPRESSAVG: 605400 -4.49029 1.0509 36.1285 1.75537 28.3349 -38.4722 39.7717 -43.0596 -4.56857 TIMING: 605400 CPU: 1971.02, 0.00315386/step Wall: 1971.02, 0.00315386/step, 3.84999 hours remaining, 231.109375 MB of memory in use. ENERGY: 605400 4151.3225 20515.4838 14408.9944 233.4868 -203798.1964 2696.2770 0.0000 0.0000 52233.8184 -109558.8134 300.1885 -161792.6318 -109199.7708 299.5774 52.2324 83.2649 759676.1671 6.3668 6.4253 PRESSURE: 605600 -342.83 -279.941 -95.7588 -279.94 106.133 -129.375 -95.7593 -129.375 -247.529 GPRESSURE: 605600 -244.836 -307.286 71.4555 -283.547 34.9303 -202.149 -160.641 -99.3259 -186.664 PRESSAVG: 605600 25.4946 -50.0354 13.1836 -50.0354 -33.3151 -15.8841 13.1836 -15.8841 19.2737 GPRESSAVG: 605600 25.6434 -50.8475 15.362 -52.6151 -33.44 -15.5739 11.2718 -15.6902 19.1214 TIMING: 605600 CPU: 1971.65, 0.00316442/step Wall: 1971.65, 0.00316442/step, 3.86271 hours remaining, 231.109375 MB of memory in use. ENERGY: 605600 3954.8985 20708.4172 14492.8584 235.1226 -203510.3999 2501.5435 0.0000 0.0000 51912.3698 -109705.1898 298.3411 -161617.5597 -109343.4438 299.6189 -161.4088 -132.1901 759532.3295 3.8177 3.7749 PRESSURE: 605800 -255.41 126.019 -123.602 126.019 0.928595 163.236 -123.602 163.237 181.03 GPRESSURE: 605800 -172.449 105.442 -45.5855 148.351 -2.19369 48.7744 57.0846 200.126 199.594 PRESSAVG: 605800 56.6105 -25.6191 23.7983 -25.6192 -65.9169 23.278 23.7983 23.278 -9.50638 GPRESSAVG: 605800 56.0337 -26.1136 20.5682 -25.5478 -66.7281 23.6887 26.6099 23.4004 -8.27823 TIMING: 605800 CPU: 1972.28, 0.00315002/step Wall: 1972.28, 0.00315002/step, 3.84495 hours remaining, 231.109375 MB of memory in use. ENERGY: 605800 4035.4202 20533.1259 14464.7790 238.6268 -202874.6413 2352.5349 0.0000 0.0000 51849.2424 -109400.9121 297.9783 -161250.1544 -109035.6730 299.7120 -24.4836 8.3171 759866.9582 -6.2709 -6.3242 PRESSURE: 606000 167.506 -97.5381 48.823 -97.5379 189.928 35.9622 48.8221 35.9626 94.2367 GPRESSURE: 606000 271.152 -140.478 -5.26881 -169.709 191.45 70.2071 14.6684 -147.685 94.2349 PRESSAVG: 606000 42.0708 -39.8928 2.59222 -39.8928 -35.118 -18.5514 2.59225 -18.5514 4.81602 GPRESSAVG: 606000 42.269 -37.7 2.65373 -41.4735 -33.7801 -19.6679 2.84881 -18.3203 3.81997 TIMING: 606000 CPU: 1972.92, 0.00315751/step Wall: 1972.92, 0.00315751/step, 3.85391 hours remaining, 231.109375 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: 606000 3963.2800 20465.0446 14457.5405 255.6215 -203333.7527 2499.7632 0.0000 0.0000 52222.6228 -109469.8801 300.1241 -161692.5029 -109099.3820 299.8872 150.5567 185.6123 759299.3798 3.9230 4.1030 PRESSURE: 606200 593.704 2.6101 -54.0903 2.61018 177.928 -82.8072 -54.0897 -82.8059 439.057 GPRESSURE: 606200 592.853 61.1981 32.7047 72.5645 270.289 -106.333 -16.4656 -102.419 445.565 PRESSAVG: 606200 4.79 -72.8687 -16.2949 -72.8688 -13.7478 39.854 -16.2949 39.8539 19.5526 GPRESSAVG: 606200 6.22298 -71.9186 -15.4858 -73.1707 -14.3027 39.7305 -15.7051 40.5112 18.9428 TIMING: 606200 CPU: 1973.55, 0.00316217/step Wall: 1973.55, 0.00316217/step, 3.85942 hours remaining, 231.179688 MB of memory in use. ENERGY: 606200 3992.3940 20412.9557 14397.6870 245.3963 -204095.0824 3216.9138 0.0000 0.0000 52377.0982 -109452.6373 301.0119 -161829.7355 -109080.5929 299.9481 403.5627 436.2356 758627.5211 3.5316 3.6210 PRESSURE: 606400 98.0943 -182.104 500.602 -182.104 78.2877 214.494 500.601 214.495 -361.046 GPRESSURE: 606400 186.159 -128.175 599.115 -205.217 47.1557 180.78 411.23 227.195 -309.603 PRESSAVG: 606400 -11.4327 -64.3925 27.674 -64.3925 -1.88091 -62.1791 27.6741 -62.1791 -24.9078 GPRESSAVG: 606400 -11.5904 -66.4028 29.0247 -63.712 -2.96178 -60.4614 25.3172 -62.9353 -23.8295 TIMING: 606400 CPU: 1974.18, 0.00317178/step Wall: 1974.18, 0.00317178/step, 3.87098 hours remaining, 231.179688 MB of memory in use. ENERGY: 606400 4030.5714 20509.2734 14416.8177 252.0149 -203688.0181 2510.8552 0.0000 0.0000 52447.8491 -109520.6364 301.4185 -161968.4855 -109146.3834 300.7359 -61.5545 -25.4295 759856.9902 -12.7405 -12.7939 PRESSURE: 606600 -283.879 106.014 23.1714 106.014 -378.582 -206.952 23.171 -206.952 -94.0673 GPRESSURE: 606600 -149.193 71.4485 -62.3661 162.829 -349.781 -276.469 0.513437 -169.771 -145.391 PRESSAVG: 606600 -9.97965 -16.3093 4.83431 -16.3093 4.48269 19.574 4.83429 19.574 4.77449 GPRESSAVG: 606600 -10.4348 -14.8157 4.43986 -16.3365 6.06056 18.9969 3.27242 22.1695 4.29205 TIMING: 606600 CPU: 1974.82, 0.00317423/step Wall: 1974.82, 0.00317423/step, 3.8738 hours remaining, 231.179688 MB of memory in use. ENERGY: 606600 4024.8876 20481.2384 14412.3583 231.5469 -203119.0933 2257.3161 0.0000 0.0000 52201.3230 -109510.4231 300.0017 -161711.7461 -109146.0412 299.8967 -252.1759 -214.7884 761688.7223 -0.2408 -0.0274 PRESSURE: 606800 -178.388 33.1672 -157.084 33.1671 -106.148 -181.166 -157.084 -181.167 115.812 GPRESSURE: 606800 -149.004 52.9591 -149.216 48.6769 -17.0394 -245.398 -200.515 -217.821 97.3116 PRESSAVG: 606800 -29.5286 -60.9396 -9.17708 -60.9396 -18.3782 -11.8475 -9.17702 -11.8475 5.7636 GPRESSAVG: 606800 -29.5127 -60.1279 -9.06524 -62.0969 -17.5629 -11.5253 -6.31859 -15.0419 4.57461 TIMING: 606800 CPU: 1975.46, 0.00318868/step Wall: 1975.46, 0.00318868/step, 3.89125 hours remaining, 231.179688 MB of memory in use. ENERGY: 606800 3896.0448 20615.6489 14440.2742 268.2150 -203557.7513 2453.5724 0.0000 0.0000 52473.7815 -109410.2145 301.5675 -161883.9960 -109034.9774 300.3423 -56.2414 -22.9106 760808.6331 -14.0478 -14.1670 PRESSURE: 607000 203.025 -30.7375 54.861 -30.7374 -95.6927 19.8983 54.861 19.8983 190.919 GPRESSURE: 607000 246.221 -52.8288 -28.8282 -67.6708 -106.478 -0.66487 -33.3798 11.4211 247.55 PRESSAVG: 607000 31.1096 -20.8459 8.94319 -20.8458 -41.0346 -19.1654 8.94318 -19.1655 -19.5491 GPRESSAVG: 607000 30.4247 -23.0929 8.1329 -20.1857 -42.0548 -19.5006 7.12728 -18.4056 -17.5782 TIMING: 607000 CPU: 1976.09, 0.00316862/step Wall: 1976.09, 0.00316862/step, 3.8666 hours remaining, 231.179688 MB of memory in use. ENERGY: 607000 3963.7903 20532.8507 14472.5447 236.7035 -203173.3412 2370.1164 0.0000 0.0000 52272.2250 -109325.1106 300.4092 -161597.3357 -108968.7688 300.3004 99.4168 129.0975 761265.5976 -9.8247 -9.7361 PRESSURE: 607200 -426.652 -55.0784 44.2645 -55.0784 -435.469 70.7462 44.2639 70.7463 -469.516 GPRESSURE: 607200 -365.249 -54.9012 94.9683 -38.8809 -421.406 68.6513 -96.2308 76.0734 -448.821 PRESSAVG: 607200 13.5444 -55.8559 -1.74996 -55.8559 -20.3991 -5.34702 -1.74994 -5.34696 11.4368 GPRESSAVG: 607200 14.2579 -55.017 -0.369302 -55.4849 -21.1338 -6.05583 -2.68995 -2.82139 11.0468 TIMING: 607200 CPU: 1976.72, 0.00316873/step Wall: 1976.72, 0.00316873/step, 3.86656 hours remaining, 231.179688 MB of memory in use. ENERGY: 607200 3992.4607 20636.2811 14475.0530 254.4347 -202933.9902 2011.7332 0.0000 0.0000 52036.1586 -109527.8689 299.0525 -161564.0275 -109178.6803 300.1904 -443.8787 -411.8254 760636.3575 1.5273 1.3903 PRESSURE: 607400 -259.576 -5.22184 164.704 -5.22195 -126.17 -155.176 164.703 -155.176 -414.973 GPRESSURE: 607400 -174.61 20.6303 227.436 66.7903 -195.818 -130.868 186.273 -118.238 -340.679 PRESSAVG: 607400 9.12361 -26.4001 61.8475 -26.4 -45.9494 -14.5559 61.8475 -14.5559 0.239172 GPRESSAVG: 607400 9.49712 -26.2722 61.8755 -27.4405 -45.9492 -12.4091 63.8724 -15.7387 -0.104567 TIMING: 607400 CPU: 1977.35, 0.00314466/step Wall: 1977.35, 0.00314466/step, 3.83701 hours remaining, 231.179688 MB of memory in use. ENERGY: 607400 4001.1066 20507.6809 14516.9823 243.5709 -203167.5705 2190.2940 0.0000 0.0000 52105.1026 -109602.8331 299.4487 -161707.9358 -109233.4226 299.8431 -266.9063 -237.0353 761062.6671 -12.1956 -12.1856 PRESSURE: 607600 123.955 -132.903 -50.5107 -132.903 -175.08 -206.383 -50.5109 -206.383 244.255 GPRESSURE: 607600 151.698 -57.4826 -34.7014 -72.7758 -52.6463 -247.061 -42.196 -81.0291 178.246 PRESSAVG: 607600 20.5472 -24.8477 15.7574 -24.8476 -10.8333 -11.9294 15.7575 -11.9294 26.2749 GPRESSAVG: 607600 20.4908 -25.0914 14.3477 -24.5714 -10.18 -14.4158 16.3322 -11.1492 25.2121 TIMING: 607600 CPU: 1977.98, 0.0031375/step Wall: 1977.98, 0.0031375/step, 3.82809 hours remaining, 231.179688 MB of memory in use. ENERGY: 607600 3982.3740 20574.9864 14502.1557 252.5264 -203415.1438 2492.6109 0.0000 0.0000 51949.4781 -109661.0122 298.5544 -161610.4904 -109301.4845 299.5338 64.3765 92.4324 759080.5311 11.9963 11.8410 PRESSURE: 607800 40.0181 -161.61 256.556 -161.611 -172.929 65.6126 256.556 65.6117 -144.767 GPRESSURE: 607800 -12.0588 -112.392 143.704 -152.113 -156.459 83.7463 266.584 154.287 -7.66605 PRESSAVG: 607800 51.3114 -27.8029 3.15854 -27.8029 -15.9044 9.85132 3.15855 9.8513 -17.0706 GPRESSAVG: 607800 50.8022 -26.6924 2.09875 -27.2397 -16.257 10.1539 2.17423 8.24305 -16.1047 TIMING: 607800 CPU: 1978.61, 0.00317476/step Wall: 1978.61, 0.00317476/step, 3.87339 hours remaining, 231.179688 MB of memory in use. ENERGY: 607800 3968.3922 20517.6686 14474.7270 246.2571 -202990.0905 2166.2327 0.0000 0.0000 51870.9379 -109745.8750 298.1030 -161616.8129 -109388.1562 298.8514 -92.5593 -58.7281 760061.9159 6.1121 6.1469 PRESSURE: 608000 -27.0185 -28.0211 -98.6223 -28.021 -74.4231 -156.827 -98.6229 -156.827 420.769 GPRESSURE: 608000 43.0836 -33.8732 -127.954 -32.1081 21.863 -99.8163 -83.9946 -87.4663 335.025 PRESSAVG: 608000 -11.6273 -67.2427 -15.4609 -67.2427 5.13379 1.83538 -15.461 1.83533 10.8611 GPRESSAVG: 608000 -11.0415 -68.7321 -13.6471 -65.8027 6.07547 1.53976 -16.0392 2.95146 9.46701 TIMING: 608000 CPU: 1979.25, 0.00318616/step Wall: 1979.25, 0.00318616/step, 3.88711 hours remaining, 231.179688 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: 608000 3999.7626 20406.2645 14459.2872 239.2745 -203570.6202 2570.7753 0.0000 0.0000 52000.1679 -109895.0880 298.8457 -161895.2559 -109537.4996 298.8746 106.4426 133.3240 759776.1338 1.4559 1.5003 PRESSURE: 608200 -321.893 30.08 -67.037 30.0802 124.445 57.7172 -67.0371 57.7192 -52.8457 GPRESSURE: 608200 -245.772 -18.2974 -59.5234 -52.087 112.356 -20.676 81.4545 7.42629 -50.5243 PRESSAVG: 608200 -40.312 -103.332 12.1357 -103.332 19.6302 32.5199 12.1357 32.5199 -8.42685 GPRESSAVG: 608200 -41.1387 -103.997 12.1876 -105.495 19.287 33.3969 13.3772 32.84 -6.842 TIMING: 608200 CPU: 1979.88, 0.0031629/step Wall: 1979.88, 0.0031629/step, 3.85856 hours remaining, 231.179688 MB of memory in use. ENERGY: 608200 4018.9136 20345.1961 14343.1608 249.7270 -203476.3813 2520.6033 0.0000 0.0000 52082.7244 -109916.0562 299.3201 -161998.7805 -109563.9754 298.5866 -83.4313 -61.3136 758102.4181 -9.7029 -9.5646 LDB: ============= START OF LOAD BALANCING ============== 1992.31 LDB: ============== END OF LOAD BALANCING =============== 1992.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1992.31 LDB: ============= START OF LOAD BALANCING ============== 1992.63 LDB: Largest compute 7033 load 0.033885 is 17.4% of average load 0.195062 LDB: Average compute 0.004406 is 2.3% of average load 0.195062 LDB: TIME 1992.63 LOAD: AVG 0.195062 MAX 0.216872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.785 MB LDB: TIME 1992.63 LOAD: AVG 0.195062 MAX 0.216872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.785 MB LDB: TIME 1992.63 LOAD: AVG 0.195062 MAX 0.216872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.785 MB LDB: ============== END OF LOAD BALANCING =============== 1992.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1992.64 PRESSURE: 608400 440.227 103.564 142.221 103.564 75.6547 -309.169 142.221 -309.169 -239.552 GPRESSURE: 608400 422.152 90.7819 193.988 194.494 94.3139 -266.325 123.469 -199.174 -156.738 PRESSAVG: 608400 33.9979 -29.0035 -19.5771 -29.0034 2.98102 17.6892 -19.5771 17.6892 12.1112 GPRESSAVG: 608400 34.192 -29.5948 -20.5034 -27.6769 2.93075 17.5137 -19.3464 17.1528 11.8285 TIMING: 608400 CPU: 1980.53, 0.00325409/step Wall: 1980.53, 0.00325409/step, 3.96963 hours remaining, 231.414062 MB of memory in use. ENERGY: 608400 3986.4904 20288.1994 14419.4611 225.8278 -203321.7603 2543.7914 0.0000 0.0000 51715.2278 -110142.7624 297.2081 -161857.9902 -109774.0236 298.4630 92.1101 119.9093 759352.3298 16.3634 16.3171 PRESSURE: 608600 -69.1547 -175.553 -3.3916 -175.553 340.548 305.074 -3.39066 305.073 -363.295 GPRESSURE: 608600 15.9212 -250.565 -7.35879 -282.209 312.651 387.414 -75.4483 201.057 -308.489 PRESSAVG: 608600 10.2533 -67.9252 59.723 -67.9252 25.3156 75.0579 59.723 75.0579 17.3663 GPRESSAVG: 608600 11.4635 -67.7526 60.8324 -69.3348 25.4544 73.8561 57.5337 74.1692 16.397 TIMING: 608600 CPU: 1981.17, 0.003179/step Wall: 1981.17, 0.003179/step, 3.87785 hours remaining, 231.613281 MB of memory in use. ENERGY: 608600 3991.5393 20486.1615 14411.5892 262.8933 -203492.9327 2249.1791 0.0000 0.0000 52017.2338 -110074.3365 298.9438 -162091.5702 -109711.5554 298.2606 -30.6338 6.6944 757926.0772 17.6451 17.7716 PRESSURE: 608800 -140.798 -118.458 -75.1125 -118.459 -26.94 31.8334 -75.1129 31.8323 47.275 GPRESSURE: 608800 -84.2562 -69.2681 -22.2881 -118.04 23.4303 39.3424 -124.889 -3.77723 9.70735 PRESSAVG: 608800 6.96019 -13.5935 7.10591 -13.5935 -9.80039 24.7266 7.10588 24.7267 -6.44179 GPRESSAVG: 608800 5.45054 -12.2616 6.04316 -12.5615 -9.56775 25.8405 8.10088 25.1327 -5.57177 TIMING: 608800 CPU: 1981.81, 0.00319056/step Wall: 1981.81, 0.00319056/step, 3.89177 hours remaining, 231.613281 MB of memory in use. ENERGY: 608800 3944.2430 20482.2162 14446.3089 226.1530 -203291.0736 2377.9430 0.0000 0.0000 52024.5656 -109789.6439 298.9859 -161814.2095 -109423.0895 298.3693 -40.1544 -17.0395 758368.0587 -3.0940 -3.2297 PRESSURE: 609000 -289.909 32.8581 4.04011 32.858 291.952 46.1922 4.03993 46.1918 -440.51 GPRESSURE: 609000 -164.266 -18.5719 -11.2552 -151.742 226.107 25.9873 -108.959 131.814 -401.45 PRESSAVG: 609000 -15.2641 -36.4804 -4.15651 -36.4804 2.59393 -41.7659 -4.15652 -41.7659 3.86191 GPRESSAVG: 609000 -14.5384 -38.7967 -2.7378 -37.1866 2.7935 -42.794 -6.13626 -40.1171 3.21516 TIMING: 609000 CPU: 1982.44, 0.0031528/step Wall: 1982.44, 0.0031528/step, 3.84554 hours remaining, 231.613281 MB of memory in use. ENERGY: 609000 3962.7708 20541.9982 14405.9782 234.5366 -203420.1372 2322.6425 0.0000 0.0000 52260.6657 -109691.5453 300.3428 -161952.2109 -109313.7266 299.2368 -146.1556 -113.2026 759795.3215 -2.9361 -2.8432 PRESSURE: 609200 148.01 -66.8109 -150.174 -66.8103 -50.744 -58.5489 -150.174 -58.548 -14.3905 GPRESSURE: 609200 119.754 3.47348 -83.5772 52.9985 17.5141 -65.8009 -250.758 -69.9137 21.9987 PRESSAVG: 609200 -57.5411 -4.42839 -19.9181 -4.42831 47.2217 -2.11907 -19.9182 -2.11906 -17.1851 GPRESSAVG: 609200 -57.875 -3.27056 -19.5719 -3.75629 46.7988 -0.30363 -19.7019 -3.62648 -16.2506 TIMING: 609200 CPU: 1983.07, 0.00317057/step Wall: 1983.07, 0.00317057/step, 3.86704 hours remaining, 231.613281 MB of memory in use. ENERGY: 609200 3955.0397 20450.8995 14421.3830 250.2921 -203227.0198 2559.6706 0.0000 0.0000 51812.3347 -109777.4002 297.7662 -161589.7349 -109427.3260 298.9107 27.6253 53.0889 760019.1093 -9.1682 -9.1089 PRESSURE: 609400 -172.219 -135.43 269.034 -135.43 239.588 -32.6802 269.035 -32.6795 -262.213 GPRESSURE: 609400 -125.101 -46.1704 161.17 -72.0804 239.221 -4.67569 243.933 -51.7677 -232.93 PRESSAVG: 609400 -44.0925 -6.63799 -53.8883 -6.63799 19.3079 -2.61094 -53.8884 -2.6109 -8.16967 GPRESSAVG: 609400 -43.4362 -6.64223 -54.9412 -7.29325 18.344 -3.97929 -53.44 -2.35334 -7.85045 TIMING: 609400 CPU: 1983.71, 0.00318239/step Wall: 1983.71, 0.00318239/step, 3.88128 hours remaining, 231.613281 MB of memory in use. ENERGY: 609400 3981.7706 20443.8173 14453.8070 243.9043 -203503.7130 2482.5992 0.0000 0.0000 52078.6504 -109819.1643 299.2967 -161897.8146 -109450.1846 298.6812 -64.9482 -39.6031 758968.4529 -10.9848 -10.9809 PRESSURE: 609600 -267.906 -75.438 69.9767 -75.4384 -55.3478 164.381 69.9767 164.381 38.4739 GPRESSURE: 609600 -174.271 -9.21632 52.7205 -94.7456 -38.8429 162.756 -97.8548 128.142 5.75501 PRESSAVG: 609600 -45.9751 58.5798 2.96249 58.5798 45.9659 47.2248 2.96253 47.2247 -4.92307 GPRESSAVG: 609600 -46.398 56.6468 2.81473 58.5373 46.8356 47.4367 5.05431 47.5392 -5.72917 TIMING: 609600 CPU: 1984.35, 0.00318529/step Wall: 1984.35, 0.00318529/step, 3.88463 hours remaining, 231.613281 MB of memory in use. ENERGY: 609600 4097.0483 20654.8624 14459.9695 258.5093 -203371.6331 2530.0234 0.0000 0.0000 51817.6714 -109553.5488 297.7969 -161371.2202 -109204.6941 299.0691 -94.9266 -69.1195 759316.4464 -1.6441 -1.7638 PRESSURE: 609800 -215.278 -27.1456 -111.934 -27.1457 -14.2266 169.678 -111.934 169.678 -172.093 GPRESSURE: 609800 -193.677 -19.5858 -88.4075 15.9633 -11.0591 41.5162 -30.0993 184.972 -113.273 PRESSAVG: 609800 19.4048 7.38796 -27.179 7.38799 16.3818 -36.0893 -27.1791 -36.0893 -19.5995 GPRESSAVG: 609800 19.8993 8.92715 -27.178 8.08582 15.7824 -35.5693 -29.2083 -35.7576 -19.9971 TIMING: 609800 CPU: 1984.98, 0.0031663/step Wall: 1984.98, 0.0031663/step, 3.8613 hours remaining, 231.613281 MB of memory in use. ENERGY: 609800 3970.4519 20627.3622 14491.2608 255.5209 -203491.5039 2517.7734 0.0000 0.0000 52123.8665 -109505.2681 299.5566 -161629.1346 -109149.5059 299.8711 -133.8659 -106.0028 761806.9104 5.3957 5.2282 PRESSURE: 610000 -467.726 273.7 -186.289 273.699 -157.05 65.9553 -186.288 65.9559 -364.188 GPRESSURE: 610000 -423.969 233.251 -172.672 206.356 -229.071 94.2667 -33.8287 -83.15 -235.087 PRESSAVG: 610000 7.58469 42.6646 21.9175 42.6646 -6.81847 15.3172 21.9174 15.3173 4.81994 GPRESSAVG: 610000 6.77553 40.9037 21.3529 42.637 -7.32029 16.0826 23.1801 13.6772 6.19534 TIMING: 610000 CPU: 1985.62, 0.00320774/step Wall: 1985.62, 0.00320774/step, 3.91166 hours remaining, 231.613281 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: 610000 3990.0959 20647.5305 14446.5362 248.2925 -203057.1929 2248.5331 0.0000 0.0000 51993.7795 -109482.4252 298.8090 -161476.2047 -109114.4704 299.4253 -329.6544 -296.0422 760990.0804 1.8621 1.8835 PRESSURE: 610200 -115.46 -244.547 31.8484 -244.548 -59.951 -96.1874 31.8485 -96.1863 205.697 GPRESSURE: 610200 103.401 -185.708 25.8478 -226.707 -180.394 -5.49587 -20.0118 -124.889 202.705 PRESSAVG: 610200 -38.4577 13.4313 -3.30024 13.4313 -0.120539 -46.5696 -3.30026 -46.5696 21.4033 GPRESSAVG: 610200 -37.7145 14.1042 -1.69151 13.302 0.41528 -47.6773 -3.98724 -46.0927 20.0894 TIMING: 610200 CPU: 1986.26, 0.00318813/step Wall: 1986.26, 0.00318813/step, 3.88757 hours remaining, 231.613281 MB of memory in use. ENERGY: 610200 4062.3182 20720.7647 14404.3620 252.4921 -203686.2241 2607.3258 0.0000 0.0000 52076.8388 -109562.1225 299.2863 -161638.9613 -109198.4505 299.4054 10.0953 41.9039 760205.3532 -5.7250 -5.7366 PRESSURE: 610400 299.804 -210.181 -71.4687 -210.181 55.77 28.5434 -71.4692 28.5438 647.595 GPRESSURE: 610400 342.896 -135.047 -5.9929 -175.833 120.894 9.09835 -51.8957 35.9925 629.968 PRESSAVG: 610400 30.6786 -97.2465 4.97589 -97.2466 0.585863 -40.6078 4.97593 -40.6077 -0.308372 GPRESSAVG: 610400 30.3132 -96.5365 5.2761 -97.2548 1.23994 -38.6252 7.01214 -40.2808 -0.214344 TIMING: 610400 CPU: 1986.89, 0.00317475/step Wall: 1986.89, 0.00317475/step, 3.87108 hours remaining, 231.613281 MB of memory in use. ENERGY: 610400 4038.3946 20609.8042 14455.4638 236.4886 -203954.6325 2865.6329 0.0000 0.0000 52106.1978 -109642.6506 299.4550 -161748.8484 -109281.3225 299.5424 334.3897 364.5859 759448.6777 10.3187 10.4463 PRESSURE: 610600 175.971 101.409 25.673 101.409 94.4954 -210.849 25.6728 -210.85 69.6653 GPRESSURE: 610600 224.896 184.654 49.1613 156.236 134.035 -184.902 -5.45951 -233.088 58.3728 PRESSAVG: 610600 20.9441 3.32321 -58.5443 3.32325 18.3086 -17.555 -58.5443 -17.5549 -3.11736 GPRESSAVG: 610600 19.9274 4.98162 -58.8878 3.13003 18.058 -19.8282 -59.5916 -15.8107 -2.02151 TIMING: 610600 CPU: 1987.53, 0.00318706/step Wall: 1987.53, 0.00318706/step, 3.88591 hours remaining, 231.613281 MB of memory in use. ENERGY: 610600 4031.7707 20481.7359 14472.3912 258.7023 -204119.2494 2809.0875 0.0000 0.0000 52061.7344 -110003.8274 299.1995 -162065.5618 -109625.7592 299.3624 113.3772 139.1013 759075.0681 12.0451 11.9880 PRESSURE: 610800 331.119 64.97 22.6022 64.9698 159.425 81.4951 22.6024 81.4948 -110.573 GPRESSURE: 610800 362.377 46.3867 50.8435 -81.1226 171.897 43.1583 -5.89143 -12.4104 -55.3626 PRESSAVG: 610800 -37.7446 -1.32223 -50.9148 -1.32223 24.9965 -18.1303 -50.9149 -18.1303 40.843 GPRESSAVG: 610800 -36.8577 -2.66345 -50.7554 -3.23897 25.4017 -16.9687 -52.4862 -20.6891 39.6722 TIMING: 610800 CPU: 1988.17, 0.00320262/step Wall: 1988.17, 0.00320262/step, 3.90471 hours remaining, 231.613281 MB of memory in use. ENERGY: 610800 4004.4052 20631.7616 14426.5717 253.2443 -204018.8550 2702.1109 0.0000 0.0000 51842.4306 -110158.3308 297.9392 -162000.7614 -109787.6748 298.8257 126.6567 159.6369 759121.0851 9.3649 9.4054 PRESSURE: 611000 -35.0429 -94.904 -159.055 -94.9043 190.023 -31.3168 -159.055 -31.3155 437.376 GPRESSURE: 611000 -2.08398 -37.8214 -194.123 -58.8486 253.542 20.9387 -49.5676 107.561 445.656 PRESSAVG: 611000 -16.4254 -74.3385 -52.0895 -74.3385 12.1455 -32.1518 -52.0895 -32.1518 -0.0963606 GPRESSAVG: 611000 -15.5152 -73.4854 -51.8271 -73.1418 10.4642 -32.0011 -50.0934 -29.5372 0.495 TIMING: 611000 CPU: 1988.81, 0.00319293/step Wall: 1988.81, 0.00319293/step, 3.89272 hours remaining, 231.613281 MB of memory in use. ENERGY: 611000 4036.4946 20529.6241 14466.1010 251.5822 -204083.2652 2820.6732 0.0000 0.0000 51959.0721 -110019.7181 298.6095 -161978.7901 -109657.7921 298.8617 197.4521 232.3712 756750.5216 -1.4587 -1.5187 PRESSURE: 611200 12.5382 12.3377 8.49342 12.3376 106.424 -242.584 8.4934 -242.585 100.055 GPRESSURE: 611200 -15.6826 31.5664 114.744 75.8149 115.828 -253.607 -22.812 -215.203 176.696 PRESSAVG: 611200 -22.9746 -22.6946 16.0042 -22.6946 3.00567 12.5589 16.0042 12.5589 -5.47931 GPRESSAVG: 611200 -22.7573 -25.6904 16.8028 -20.7234 1.69711 12.2903 14.871 11.8695 -5.05301 TIMING: 611200 CPU: 1989.46, 0.00323241/step Wall: 1989.46, 0.00323241/step, 3.94066 hours remaining, 231.613281 MB of memory in use. ENERGY: 611200 3924.7031 20646.6884 14465.2201 261.1496 -203749.3780 2428.8969 0.0000 0.0000 52065.0971 -109957.6229 299.2188 -162022.7200 -109604.4581 298.5982 73.0059 92.2803 758174.3470 -8.4827 -8.7044 PRESSURE: 611400 -125.216 -82.9874 215.52 -82.9868 -195.823 -148.67 215.52 -148.67 211.849 GPRESSURE: 611400 -62.4905 -158.24 136.592 -136.873 -193.854 -159.72 88.7079 -102.684 218.983 PRESSAVG: 611400 -10.181 -18.4026 -19.8725 -18.4027 -8.45216 -16.3976 -19.8725 -16.3977 5.6865 GPRESSAVG: 611400 -10.0785 -17.4307 -21.8884 -19.686 -7.35508 -17.3111 -20.3183 -13.8016 4.70514 TIMING: 611400 CPU: 1990.11, 0.00324275/step Wall: 1990.11, 0.00324275/step, 3.9531 hours remaining, 231.613281 MB of memory in use. ENERGY: 611400 3961.5996 20498.2972 14518.7243 236.8646 -204141.9678 2832.7727 0.0000 0.0000 51800.6658 -110293.0435 297.6991 -162093.7094 -109927.7054 298.4915 -36.3967 -12.4539 759312.4202 -4.3155 -4.2428 PRESSURE: 611600 -296.036 40.993 -382.038 40.9926 -169.016 136.236 -382.037 136.236 378.907 GPRESSURE: 611600 -259.951 -10.6702 -324.734 98.8601 -57.3946 115.746 -250.756 88.4527 304.293 PRESSAVG: 611600 31.2902 14.8681 30.1961 14.8681 14.1861 29.8092 30.196 29.8092 16.9273 GPRESSAVG: 611600 30.0037 15.6945 31.2702 15.5943 16.2118 30.3098 30.1843 25.8018 16.3616 TIMING: 611600 CPU: 1990.76, 0.00325167/step Wall: 1990.76, 0.00325167/step, 3.96378 hours remaining, 231.613281 MB of memory in use. ENERGY: 611600 3873.5088 20434.3322 14459.0743 240.5308 -203540.5710 2384.7004 0.0000 0.0000 51734.3134 -110414.1112 297.3178 -162148.4245 -110052.8714 297.8771 -28.7149 -4.3506 760212.5578 20.8012 20.8591 PRESSURE: 611800 286.822 46.5371 81.896 46.5371 30.0435 200.758 81.8964 200.758 -102.362 GPRESSURE: 611800 352.4 41.9213 74.8054 -41.7726 18.9365 183.631 -0.515116 122.282 -70.4169 PRESSAVG: 611800 -35.2955 -34.3477 18.3171 -34.3478 -6.48139 -2.31782 18.3172 -2.31777 -5.78435 GPRESSAVG: 611800 -35.1474 -34.4897 18.9564 -33.7831 -7.53833 -0.848034 18.9496 -1.6467 -5.031 TIMING: 611800 CPU: 1991.41, 0.00326929/step Wall: 1991.41, 0.00326929/step, 3.98508 hours remaining, 231.613281 MB of memory in use. ENERGY: 611800 3955.9835 20527.6983 14465.8100 244.3575 -204062.9300 2821.3887 0.0000 0.0000 51953.7151 -110093.9769 298.5787 -162047.6920 -109734.9986 297.6563 71.5014 100.3066 759702.7221 -15.8537 -15.9056 PRESSURE: 612000 171.303 35.9643 -248.037 35.9641 142.682 -103.465 -248.037 -103.465 70.8107 GPRESSURE: 612000 171.065 6.16858 -241.444 84.3526 200.058 -67.9136 -232.958 39.6222 87.8811 PRESSAVG: 612000 67.657 21.3538 1.10608 21.3538 -9.76963 -21.3501 1.10617 -21.3501 -12.9737 GPRESSAVG: 612000 69.1268 22.0674 -0.00157714 21.475 -9.3978 -21.2402 0.247869 -20.4226 -14.2704 TIMING: 612000 CPU: 1992.05, 0.00321801/step Wall: 1992.05, 0.00321801/step, 3.9224 hours remaining, 231.613281 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: 612000 3897.2504 20646.0152 14366.7059 262.6489 -203772.9267 2422.4705 0.0000 0.0000 52238.9529 -109938.8827 300.2180 -162177.8357 -109574.4495 299.3093 128.2652 153.0014 757643.3619 14.9712 15.1529 PRESSURE: 612200 74.7693 166.023 339.859 166.023 -361.676 120.916 339.858 120.917 -173.776 GPRESSURE: 612200 34.7086 170.704 375.173 126.284 -281.78 95.8352 206.254 201.34 -125.554 PRESSAVG: 612200 -31.1784 -24.1454 35.1752 -24.1454 8.17629 -24.0602 35.1752 -24.0601 28.2077 GPRESSAVG: 612200 -31.0249 -24.5014 36.5163 -26.0467 7.81111 -24.4216 35.701 -23.0249 29.3857 TIMING: 612200 CPU: 1992.7, 0.00323821/step Wall: 1992.7, 0.00323821/step, 3.94683 hours remaining, 231.613281 MB of memory in use. ENERGY: 612200 4027.6108 20430.9028 14454.6559 228.4917 -203563.5817 2190.8585 0.0000 0.0000 52263.3984 -109967.6636 300.3585 -162231.0620 -109598.2866 299.2514 -153.5610 -124.2084 759281.3692 1.7352 2.0573 LDB: ============= START OF LOAD BALANCING ============== 2005.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2005.13 LDB: =============== DONE WITH MIGRATION ================ 2005.13 LDB: ============= START OF LOAD BALANCING ============== 2005.45 LDB: Largest compute 7033 load 0.036449 is 18.7% of average load 0.195051 LDB: Average compute 0.004415 is 2.3% of average load 0.195051 LDB: TIME 2005.46 LOAD: AVG 0.195051 MAX 0.21878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.125 MB LDB: TIME 2005.46 LOAD: AVG 0.195051 MAX 0.21878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: TIME 2005.46 LOAD: AVG 0.195051 MAX 0.21594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: ============== END OF LOAD BALANCING =============== 2005.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2005.46 PRESSURE: 612400 151.781 143.022 -222.893 143.024 -453.433 -115.888 -222.893 -115.886 141.675 GPRESSURE: 612400 108.72 122.665 -276.456 44.7451 -291.575 -169.822 -187.615 -35.4612 118.242 PRESSAVG: 612400 -25.9699 -58.2719 12.9576 -58.2719 -20.0846 19.8096 12.9576 19.8096 10.3456 GPRESSAVG: 612400 -25.8954 -60.2796 11.4481 -57.4644 -19.8529 19.6046 13.0711 18.1623 10.3691 TIMING: 612400 CPU: 1993.36, 0.00328175/step Wall: 1993.36, 0.00328175/step, 3.99973 hours remaining, 232.152344 MB of memory in use. ENERGY: 612400 3983.9979 20422.8831 14289.7456 235.9058 -203460.0880 2535.4889 0.0000 0.0000 51908.7971 -110083.2697 298.3206 -161992.0668 -109713.5045 299.1339 -53.3257 -21.5376 760895.8175 -11.9030 -11.7930 PRESSURE: 612600 -169.653 49.0248 -108.229 49.025 -243.217 -59.6592 -108.23 -59.661 -62.5833 GPRESSURE: 612600 -119.009 -69.564 -62.4731 15.9808 -213.866 -22.5398 -115.403 59.529 -58.26 PRESSAVG: 612600 43.9091 -41.2894 -14.9829 -41.2894 -18.9646 10.856 -14.983 10.856 22.6391 GPRESSAVG: 612600 42.7074 -40.7391 -14.8434 -42.8558 -18.2651 11.0157 -14.2543 12.2247 23.5411 TIMING: 612600 CPU: 1994, 0.0031894/step Wall: 1994, 0.0031894/step, 3.887 hours remaining, 232.222656 MB of memory in use. ENERGY: 612600 3965.8715 20518.6637 14345.9986 256.5654 -203521.9400 2346.1519 0.0000 0.0000 51758.7623 -110329.9267 297.4583 -162088.6889 -109960.7729 298.0509 -158.4843 -130.3782 760476.0749 15.8612 15.9945 PRESSURE: 612800 -154 -175.636 -122.772 -175.637 -53.9989 -71.1443 -122.772 -71.1435 158.037 GPRESSURE: 612800 -121.882 -218.02 -71.5372 -88.6042 30.6002 -108.313 -143.645 -160.607 122.165 PRESSAVG: 612800 19.1806 -0.173659 40.3956 -0.173668 -27.2226 30.6823 40.3956 30.6823 22.4151 GPRESSAVG: 612800 19.7877 0.598078 42.4565 1.32723 -26.8715 31.473 39.4961 28.0679 21.1692 TIMING: 612800 CPU: 1994.63, 0.00318206/step Wall: 1994.63, 0.00318206/step, 3.87787 hours remaining, 232.292969 MB of memory in use. ENERGY: 612800 3994.5410 20458.2429 14399.7612 228.2645 -203493.6567 2445.9208 0.0000 0.0000 51960.4598 -110006.4664 298.6175 -161966.9262 -109645.6368 297.9410 -16.6542 10.2944 759318.9335 4.7910 4.6951 PRESSURE: 613000 21.7282 -177.446 52.2194 -177.445 61.6253 117.538 52.2196 117.538 -242.807 GPRESSURE: 613000 116.091 -151.914 29.5962 -237.039 -14.429 75.1791 27.5707 92.5851 -166.168 PRESSAVG: 613000 -9.61554 -42.2703 40.3587 -42.2703 16.4651 66.3434 40.3587 66.3435 3.00848 GPRESSAVG: 613000 -9.76144 -42.6182 38.487 -44.6247 15.4419 64.5896 40.0386 68.3637 4.25088 TIMING: 613000 CPU: 1995.27, 0.00318177/step Wall: 1995.27, 0.00318177/step, 3.87734 hours remaining, 232.699219 MB of memory in use. ENERGY: 613000 4008.9618 20483.1876 14454.6370 259.6846 -203453.0516 2336.6319 0.0000 0.0000 52060.7252 -109849.2234 299.1937 -161909.9486 -109500.7958 299.0120 -53.1512 -21.5019 759093.1156 3.2860 3.3104 PRESSURE: 613200 -41.7171 243.972 43.4484 243.973 180.295 203.491 43.4478 203.491 314.554 GPRESSURE: 613200 -77.7062 97.895 43.9023 281.969 253.274 241.329 68.1946 302.685 397.007 PRESSAVG: 613200 -10.2766 -55.6103 0.528185 -55.6103 -14.7114 43.398 0.528158 43.398 10.0498 GPRESSAVG: 613200 -11.3655 -54.7202 1.50448 -55.8206 -14.2497 44.9146 0.303525 42.4615 10.098 TIMING: 613200 CPU: 1995.91, 0.00319098/step Wall: 1995.91, 0.00319098/step, 3.88839 hours remaining, 232.699219 MB of memory in use. ENERGY: 613200 3999.3030 20335.3752 14418.9861 235.0110 -203778.5415 2601.2112 0.0000 0.0000 52132.3971 -110056.2579 299.6056 -162188.6550 -109697.3429 298.2818 151.0441 190.8582 759712.7077 -4.9794 -5.1724 PRESSURE: 613400 252.381 -51.2786 2.97584 -51.2779 776.061 220.714 2.97716 220.713 -1.81949 GPRESSURE: 613400 349.36 -110.502 46.9976 17.1003 687.925 206.663 102.953 201.985 77.1962 PRESSAVG: 613400 -49.9481 -90.831 23.1333 -90.831 48.8166 30.5766 23.1333 30.5766 4.17051 GPRESSAVG: 613400 -48.3401 -93.0822 22.6871 -88.5223 47.1402 30.2902 23.3053 28.9245 4.28939 TIMING: 613400 CPU: 1996.54, 0.0031864/step Wall: 1996.54, 0.0031864/step, 3.88263 hours remaining, 232.699219 MB of memory in use. ENERGY: 613400 3952.6078 20391.7828 14457.1233 248.9187 -204110.8791 3091.0003 0.0000 0.0000 51803.6590 -110165.7871 297.7163 -161969.4462 -109798.1895 298.0828 342.2075 371.4937 761080.2282 1.0130 1.0299 PRESSURE: 613600 -349.487 -193.14 30.1982 -193.14 254.494 294.464 30.1981 294.463 -223.428 GPRESSURE: 613600 -248.011 -351.86 29.9116 -240.069 223.021 271.121 -70.2527 47.5217 -213.864 PRESSAVG: 613600 18.8943 -82.8775 31.5568 -82.8775 -37.5058 22.485 31.5568 22.485 -16.0147 GPRESSAVG: 613600 18.6533 -82.1248 30.6972 -83.6428 -37.4761 22.6929 31.7695 23.8304 -16.4206 TIMING: 613600 CPU: 1997.19, 0.00324384/step Wall: 1997.19, 0.00324384/step, 3.95244 hours remaining, 232.699219 MB of memory in use. ENERGY: 613600 3923.2328 20495.0108 14462.4885 241.0045 -203226.3462 2262.0686 0.0000 0.0000 51846.3080 -109996.2330 297.9614 -161842.5410 -109644.4252 298.0015 -106.1404 -79.6181 760831.9974 -11.5421 -11.7478 PRESSURE: 613800 104.363 68.6117 18.9239 68.6109 130.441 -244.83 18.9243 -244.829 147.52 GPRESSURE: 613800 175.646 -5.26809 93.5189 74.3023 183.077 -252.066 -113.782 -207.883 108.719 PRESSAVG: 613800 -4.69499 -100.269 45.7086 -100.269 1.77421 3.46013 45.7086 3.46021 20.671 GPRESSAVG: 613800 -4.23213 -99.9024 47.4783 -100.452 1.21901 1.68126 44.5804 4.9986 20.2264 TIMING: 613800 CPU: 1997.84, 0.00322203/step Wall: 1997.84, 0.00322203/step, 3.92568 hours remaining, 232.699219 MB of memory in use. ENERGY: 613800 3930.9405 20327.1258 14530.9568 247.2319 -203790.5647 2695.3780 0.0000 0.0000 52006.0082 -110052.9236 298.8792 -162058.9318 -109679.5129 298.6107 127.4414 155.8137 759784.2881 5.9167 5.7378 PRESSURE: 614000 231.035 -189.564 16.1741 -189.564 216.617 -44.8411 16.1741 -44.8414 22.5661 GPRESSURE: 614000 245.728 -48.5319 29.4953 -85.1189 325.642 2.24115 -17.4576 -59.8925 -11.6958 PRESSAVG: 614000 41.7449 -12.8259 15.3108 -12.8259 -49.1326 4.82172 15.3109 4.82166 3.00237 GPRESSAVG: 614000 40.7329 -11.0707 16.0512 -11.8663 -48.7452 8.1753 17.2909 3.57389 3.6656 TIMING: 614000 CPU: 1998.48, 0.00319447/step Wall: 1998.48, 0.00319447/step, 3.89193 hours remaining, 232.699219 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: 614000 3950.7434 20427.3527 14485.3613 244.5199 -203611.4181 2545.0434 0.0000 0.0000 52015.0403 -109943.3570 298.9312 -161958.3973 -109578.9763 298.2034 156.7395 186.5579 761843.3826 -1.4618 -1.4489 PRESSURE: 614200 -256.167 -19.2287 -42.4886 -19.2294 -311.036 178.384 -42.4894 178.385 -37.858 GPRESSURE: 614200 -255.601 21.4584 -85.5167 -106.482 -286.947 106.862 52.3468 235.119 15.7039 PRESSAVG: 614200 0.176026 -59.2309 -35.1569 -59.231 -20.0562 84.3121 -35.157 84.312 -10.2685 GPRESSAVG: 614200 1.05034 -58.6255 -37.3205 -58.4207 -20.2094 82.2855 -36.2527 84.1391 -10.8352 TIMING: 614200 CPU: 1999.11, 0.0031896/step Wall: 1999.11, 0.0031896/step, 3.88582 hours remaining, 232.699219 MB of memory in use. ENERGY: 614200 3954.0267 20601.4947 14440.5272 247.7961 -203077.4592 2218.8088 0.0000 0.0000 51713.6317 -109901.1740 297.1990 -161614.8057 -109550.6433 298.2697 -201.6870 -175.6146 764150.9908 -10.0496 -9.9981 PRESSURE: 614400 239.78 63.9728 114.03 63.9729 -100.721 -127.555 114.031 -127.554 -39.6063 GPRESSURE: 614400 302.146 58.8348 125.707 -27.3025 -100.503 -92.5799 34.1687 -125.03 -12.6923 PRESSAVG: 614400 32.2515 -31.4647 -19.047 -31.4647 -42.7551 11.2066 -19.0471 11.2066 -1.0411 GPRESSAVG: 614400 32.0926 -35.4612 -16.9781 -32.4547 -42.3166 11.2366 -18.388 10.9833 -1.27992 TIMING: 614400 CPU: 1999.76, 0.00321512/step Wall: 1999.76, 0.00321512/step, 3.91673 hours remaining, 232.699219 MB of memory in use. ENERGY: 614400 4040.4695 20295.3378 14459.6260 235.0469 -203719.5628 2776.3053 0.0000 0.0000 52036.9138 -109875.8635 299.0569 -161912.7773 -109514.2266 298.5031 33.1510 62.9836 760894.6865 -3.8482 -3.8346 PRESSURE: 614600 263.342 26.1408 -7.64299 26.1413 -41.8482 4.04407 -7.64303 4.04392 -205.925 GPRESSURE: 614600 237.407 -29.8127 -160.83 -67.5592 -1.9379 31.2736 42.4916 -3.30652 -124.274 PRESSAVG: 614600 44.1001 -21.1549 -10.0697 -21.1548 -48.2624 26.3566 -10.0697 26.3567 -22.5331 GPRESSAVG: 614600 43.3708 -18.8842 -11.4709 -22.929 -48.3646 27.1616 -9.13481 25.3043 -21.9436 TIMING: 614600 CPU: 2000.39, 0.00318998/step Wall: 2000.39, 0.00318998/step, 3.88593 hours remaining, 232.699219 MB of memory in use. ENERGY: 614600 4025.6162 20392.9291 14374.8695 242.0500 -203495.8842 2635.8239 0.0000 0.0000 51935.2088 -109889.3868 298.4724 -161824.5956 -109544.4738 298.9378 5.1898 37.0651 760915.1449 -8.8985 -8.9791 PRESSURE: 614800 353.61 -103.93 4.33019 -103.931 -87.9494 45.7512 4.33041 45.7526 556.261 GPRESSURE: 614800 385.742 3.02074 56.1731 7.14918 -36.0953 46.0167 58.1756 -10.2079 555.191 PRESSAVG: 614800 12.7882 -16.1656 14.9413 -16.1656 -29.0297 29.608 14.9413 29.608 3.2339 GPRESSAVG: 614800 12.9622 -15.0838 14.6416 -14.985 -28.7169 29.0346 14.1389 29.4849 3.06414 TIMING: 614800 CPU: 2001.04, 0.00322099/step Wall: 2001.04, 0.00322099/step, 3.92352 hours remaining, 232.699219 MB of memory in use. ENERGY: 614800 3952.6002 20472.5048 14442.9641 247.7414 -203392.4834 2469.5495 0.0000 0.0000 52036.1065 -109771.0169 299.0522 -161807.1234 -109408.2877 298.4894 273.9741 301.6126 759895.3929 -4.3359 -4.2302 PRESSURE: 615000 -208.71 107.053 380.888 107.053 -69.5222 -1.70515 380.888 -1.70554 -122.167 GPRESSURE: 615000 -228.326 81.6765 260.787 141.609 -6.32323 0.605162 206.923 9.3624 -93.0225 PRESSAVG: 615000 -0.864938 -66.1431 23.6648 -66.143 5.23402 17.7148 23.6649 17.7149 -3.17691 GPRESSAVG: 615000 -0.223745 -66.2138 23.4489 -65.5571 4.61823 19.7499 21.4674 19.7439 -4.08629 TIMING: 615000 CPU: 2001.68, 0.00320269/step Wall: 2001.68, 0.00320268/step, 3.90105 hours remaining, 232.699219 MB of memory in use. ENERGY: 615000 4023.8166 20413.2553 14399.3535 233.8191 -202991.5215 2293.3765 0.0000 0.0000 51859.2299 -109768.6706 298.0357 -161627.9005 -109410.8899 299.1609 -133.4665 -109.2239 760031.2348 0.3974 0.1027 PRESSURE: 615200 69.9975 -46.8113 66.9301 -46.8123 78.8651 242.173 66.9296 242.174 -12.2566 GPRESSURE: 615200 96.8497 -45.1878 25.5142 -26.9044 140.931 190.426 230.097 375.54 -20.0079 PRESSAVG: 615200 -73.5702 23.1091 19.2504 23.1091 49.8621 31.9284 19.2504 31.9285 12.9098 GPRESSAVG: 615200 -74.5332 22.5217 20.3389 22.1049 50.9898 31.0363 22.0491 31.8692 12.7322 TIMING: 615200 CPU: 2002.33, 0.00326256/step Wall: 2002.33, 0.00326256/step, 3.9738 hours remaining, 232.699219 MB of memory in use. ENERGY: 615200 3890.4200 20240.1928 14403.1085 253.2188 -203111.6095 2487.7023 0.0000 0.0000 52073.7819 -109763.1852 299.2687 -161836.9671 -109396.7161 298.6153 45.5353 72.5908 760998.6593 -3.5995 -3.6037 PRESSURE: 615400 139.562 -136.907 -94.1856 -136.907 -104.457 -202.455 -94.1849 -202.455 19.6165 GPRESSURE: 615400 175.884 -133.366 -132.915 -82.6545 16.2032 -191.298 -105.395 -214.05 -59.1313 PRESSAVG: 615400 36.9566 -35.0637 28.0523 -35.0636 -19.8382 36.0267 28.0523 36.0267 -15.8515 GPRESSAVG: 615400 38.265 -36.3698 26.5534 -34.4885 -20.2816 35.113 26.6826 36.2054 -17.2273 TIMING: 615400 CPU: 2002.98, 0.00325807/step Wall: 2002.98, 0.00325807/step, 3.96815 hours remaining, 232.699219 MB of memory in use. ENERGY: 615400 4024.6480 20291.3484 14491.3602 259.7818 -203606.0865 2647.2669 0.0000 0.0000 52186.5777 -109705.1035 299.9170 -161891.6811 -109337.6215 299.3041 18.2405 44.3188 761056.0136 0.4223 0.2520 PRESSURE: 615600 -131.239 -110.038 -7.48331 -110.039 -379.199 -233.601 -7.48278 -233.602 27.4805 GPRESSURE: 615600 -159.598 -78.9444 28.1551 -115.784 -304.667 -113.981 -42.9671 -339.887 44.8851 PRESSAVG: 615600 7.6948 -56.2783 2.19343 -56.2783 -32.3901 -62.6841 2.19346 -62.6841 -23.0086 GPRESSAVG: 615600 6.38681 -55.2237 2.70273 -55.4672 -33.1743 -61.4893 2.98977 -63.5842 -21.3414 TIMING: 615600 CPU: 2003.63, 0.00322643/step Wall: 2003.63, 0.00322643/step, 3.92944 hours remaining, 232.699219 MB of memory in use. ENERGY: 615600 3920.3405 20368.0303 14480.8162 251.8664 -203535.3063 2668.0034 0.0000 0.0000 52127.4681 -109718.7813 299.5773 -161846.2494 -109355.3243 298.6923 -160.9858 -139.7934 761896.6436 -15.9013 -16.0429 PRESSURE: 615800 -10.1016 -200.862 -4.87653 -200.862 -265.096 -4.47308 -4.87694 -4.47344 -222.346 GPRESSURE: 615800 50.0976 -164.119 42.27 -231.809 -144.41 -6.86344 -136.139 -129.27 -311.63 PRESSAVG: 615800 -13.2178 1.87694 10.9922 1.87699 -20.4781 -31.6063 10.9922 -31.6063 -2.35172 GPRESSAVG: 615800 -12.9873 2.36804 11.1861 2.48007 -19.4994 -33.2786 11.5209 -30.4738 -3.78027 TIMING: 615800 CPU: 2004.27, 0.00320717/step Wall: 2004.27, 0.00320717/step, 3.90579 hours remaining, 232.699219 MB of memory in use. ENERGY: 615800 3967.5053 20404.1376 14466.7912 221.5322 -203621.8406 2682.3199 0.0000 0.0000 52284.8766 -109594.6778 300.4819 -161879.5545 -109230.9554 299.4956 -165.8480 -135.3140 760498.3957 -12.0159 -12.0890 PRESSURE: 616000 -330.448 117.832 -18.3631 117.833 -355.578 15.5797 -18.3633 15.5808 38.0512 GPRESSURE: 616000 -224.425 45.8123 -66.8886 69.1215 -356.908 51.5545 20.9674 97.2329 23.9269 PRESSAVG: 616000 -20.2663 -44.1983 -40.9907 -44.1984 56.9559 3.52752 -40.9906 3.52746 -1.63108 GPRESSAVG: 616000 -19.4334 -45.7125 -41.7614 -45.1245 56.3395 3.84556 -41.536 2.66306 -1.43664 TIMING: 616000 CPU: 2004.91, 0.00320418/step Wall: 2004.91, 0.00320418/step, 3.90198 hours remaining, 232.699219 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: 616000 3949.4931 20520.6522 14412.8923 233.7308 -203095.6680 2409.3560 0.0000 0.0000 52047.7705 -109521.7730 299.1193 -161569.5435 -109161.4491 299.6206 -215.9917 -185.8020 761701.8659 11.6862 11.8232 PRESSURE: 616200 -130.541 -267.219 -300.198 -267.22 195.845 -226.229 -300.198 -226.229 28.4735 GPRESSURE: 616200 -55.7877 -233.919 -320.686 -335.991 176.117 -152.785 -89.5186 -188.701 39.6606 PRESSAVG: 616200 41.7717 -20.2623 -15.5155 -20.2622 -10.3605 -19.1459 -15.5155 -19.1459 13.2732 GPRESSAVG: 616200 42.2033 -18.8197 -13.1726 -21.6473 -11.971 -19.2055 -15.5068 -17.5899 14.08 TIMING: 616200 CPU: 2005.55, 0.00320598/step Wall: 2005.55, 0.00320598/step, 3.90399 hours remaining, 232.699219 MB of memory in use. ENERGY: 616200 4006.2815 20546.4098 14425.4346 254.7574 -203381.3138 2522.5565 0.0000 0.0000 51981.0820 -109644.7920 298.7360 -161625.8740 -109283.7815 299.6064 31.2592 53.3300 760569.2848 14.8948 14.7708 LDB: ============= START OF LOAD BALANCING ============== 2017.98 LDB: ============== END OF LOAD BALANCING =============== 2017.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2017.99 LDB: ============= START OF LOAD BALANCING ============== 2018.31 LDB: Largest compute 7033 load 0.035713 is 18.3% of average load 0.195009 LDB: Average compute 0.004416 is 2.3% of average load 0.195009 LDB: TIME 2018.31 LOAD: AVG 0.195009 MAX 0.214603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.613 MB LDB: TIME 2018.31 LOAD: AVG 0.195009 MAX 0.214603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: TIME 2018.31 LOAD: AVG 0.195009 MAX 0.214603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: ============== END OF LOAD BALANCING =============== 2018.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2018.32 PRESSURE: 616400 -69.5936 65.6846 241.72 65.6844 -114.345 19.1181 241.72 19.1183 115.448 GPRESSURE: 616400 3.69381 24.2478 232.807 72.639 -100.742 -22.5508 97.7048 -74.6201 95.3736 PRESSAVG: 616400 -20.5439 -16.0902 -40.8958 -16.0902 2.98283 29.5298 -40.8957 29.5297 -11.7263 GPRESSAVG: 616400 -21.0731 -18.0179 -43.9675 -14.0939 2.85209 29.7131 -40.58 27.8337 -10.9171 TIMING: 616400 CPU: 2006.21, 0.00330134/step Wall: 2006.21, 0.00330134/step, 4.01994 hours remaining, 231.125000 MB of memory in use. ENERGY: 616400 3985.6139 20526.7146 14374.7801 255.9786 -203164.6279 2256.1889 0.0000 0.0000 52026.5211 -109738.8308 298.9971 -161765.3519 -109372.5972 298.7745 -22.8301 -0.5581 759392.4089 -9.7625 -9.7127 PRESSURE: 616600 -285.408 115.513 76.4423 115.512 -17.6134 118.811 76.4431 118.81 88.0903 GPRESSURE: 616600 -287.557 52.4611 28.7324 99.5342 89.1567 169.385 113.316 -30.7778 84.9019 PRESSAVG: 616600 4.13157 -9.96094 -15.197 -9.96095 -3.34054 19.2207 -15.197 19.2207 6.0535 GPRESSAVG: 616600 3.16942 -9.06657 -12.7775 -11.2432 -0.937914 19.4192 -18.1964 19.1807 4.95184 TIMING: 616600 CPU: 2006.85, 0.00318967/step Wall: 2006.85, 0.00318967/step, 3.88378 hours remaining, 231.328125 MB of memory in use. ENERGY: 616600 4022.3295 20381.8685 14476.0974 254.7649 -203217.0916 2315.3611 0.0000 0.0000 51851.2576 -109915.4126 297.9899 -161766.6702 -109560.8950 298.3587 -71.6436 -37.8327 760637.7584 2.2815 2.3944 PRESSURE: 616800 -431.572 -43.3447 -76.4372 -43.345 86.925 -36.9399 -76.4379 -36.9394 -117.775 GPRESSURE: 616800 -452.53 -57.1517 -90.7378 -14.3981 167.48 -59.6383 105.394 -60.5105 -111.3 PRESSAVG: 616800 -16.0713 10.4673 25.8142 10.4673 -6.04506 89.3722 25.8142 89.3722 2.43031 GPRESSAVG: 616800 -16.0541 12.0297 23.9462 10.4275 -6.80453 90.0309 27.6275 87.9337 3.28792 TIMING: 616800 CPU: 2007.49, 0.00321914/step Wall: 2007.49, 0.00321914/step, 3.91949 hours remaining, 231.328125 MB of memory in use. ENERGY: 616800 3830.4426 20463.8100 14440.1080 246.7507 -203384.4737 2469.8578 0.0000 0.0000 52071.8027 -109861.7019 299.2574 -161933.5046 -109493.4633 298.3837 -154.1407 -132.1170 761062.4990 -6.5620 -6.5236 PRESSURE: 617000 193.405 -25.7903 -144.562 -25.7903 157.575 -71.2953 -144.562 -71.2946 350.257 GPRESSURE: 617000 218.1 -27.5654 -30.6727 -35.6701 146.607 -6.73797 -187.28 -10.2678 422.548 PRESSAVG: 617000 -27.0698 -43.2488 28.809 -43.2488 41.083 35.8484 28.809 35.8483 -5.30637 GPRESSAVG: 617000 -26.5623 -44.3447 32.4858 -43.8847 40.8636 35.7327 28.8707 37.4746 -5.84999 TIMING: 617000 CPU: 2008.13, 0.00319907/step Wall: 2008.13, 0.00319907/step, 3.89487 hours remaining, 231.328125 MB of memory in use. ENERGY: 617000 3911.2730 20479.7313 14394.7847 251.9873 -203298.9609 2560.2298 0.0000 0.0000 51898.9591 -109801.9957 298.2640 -161700.9548 -109449.5589 298.9219 233.7459 262.4181 758663.4617 2.9023 2.8171 PRESSURE: 617200 -82.7013 79.9572 -20.5702 79.9566 124.594 17.8764 -20.5708 17.8768 -44.9034 GPRESSURE: 617200 44.2484 130.429 -68.6961 110.369 63.5401 101.019 -10.9904 -29.8066 -30.4815 PRESSAVG: 617200 -18.272 -8.35068 25.4664 -8.35068 63.8032 -9.26306 25.4664 -9.26304 10.0617 GPRESSAVG: 617200 -17.7506 -8.89425 25.1206 -8.57709 63.1836 -9.94488 25.4981 -10.7587 10.3018 TIMING: 617200 CPU: 2008.77, 0.00318347/step Wall: 2008.77, 0.00318347/step, 3.8757 hours remaining, 231.527344 MB of memory in use. ENERGY: 617200 3922.1815 20415.4630 14441.5160 268.3507 -203113.0639 2222.9735 0.0000 0.0000 52195.3630 -109647.2161 299.9675 -161842.5791 -109290.6332 298.9524 -1.0036 25.7690 759102.0738 18.5310 18.5783 PRESSURE: 617400 -424.615 -18.5606 -39.2021 -18.5604 -26.7021 155.816 -39.2018 155.816 -277.542 GPRESSURE: 617400 -356.275 -94.2796 -63.5449 -75.9169 -26.0386 192.317 -32.8166 59.9053 -266.878 PRESSAVG: 617400 -51.3092 -8.17057 -7.1223 -8.17057 33.2391 -15.5511 -7.12225 -15.5511 -23.8229 GPRESSAVG: 617400 -51.4818 -7.34119 -9.20376 -9.95672 33.2395 -15.8317 -6.61719 -13.826 -24.033 TIMING: 617400 CPU: 2009.41, 0.00320094/step Wall: 2009.41, 0.00320094/step, 3.89678 hours remaining, 231.527344 MB of memory in use. ENERGY: 617400 3965.7150 20352.2675 14367.6081 246.1637 -203170.9929 2467.8663 0.0000 0.0000 52225.5962 -109545.7761 300.1412 -161771.3723 -109178.7491 299.2308 -242.9531 -216.3969 759319.3792 -13.9643 -14.0918 PRESSURE: 617600 -313.641 -203.937 1.83453 -203.937 113.145 -259.293 1.83429 -259.294 -61.5315 GPRESSURE: 617600 -287.321 -189.788 104.419 -226.691 116.461 -202.354 -109.377 -247.828 -2.62933 PRESSAVG: 617600 25.006 0.088808 -14.1916 0.0887773 12.1426 57.0454 -14.1916 57.0453 0.212528 GPRESSAVG: 617600 23.8692 0.279473 -14.7814 2.461 12.6961 57.1098 -13.6738 55.9442 0.660088 TIMING: 617600 CPU: 2010.05, 0.00320728/step Wall: 2010.05, 0.00320728/step, 3.90433 hours remaining, 231.527344 MB of memory in use. ENERGY: 617600 3990.8217 20614.7852 14477.2712 248.8581 -203074.4766 2320.6334 0.0000 0.0000 52017.1891 -109404.9178 298.9435 -161422.1069 -109044.5588 299.1643 -87.3425 -57.8297 760856.5142 12.4537 12.4085 PRESSURE: 617800 226.77 -59.5011 87.9959 -59.5004 245.277 -48.8314 87.9961 -48.8309 125.564 GPRESSURE: 617800 237.216 120.453 127.377 31.262 232.756 39.7907 37.3664 48.5468 220.374 PRESSAVG: 617800 -14.2773 -38.1683 8.1775 -38.1684 49.7581 -0.229296 8.17749 -0.229315 26.0854 GPRESSAVG: 617800 -12.6552 -36.5702 9.02007 -40.4964 47.8026 -1.02247 8.77557 1.44394 26.344 TIMING: 617800 CPU: 2010.69, 0.00320659/step Wall: 2010.69, 0.00320659/step, 3.90331 hours remaining, 231.527344 MB of memory in use. ENERGY: 617800 3989.9015 20434.1198 14475.5376 239.7399 -203779.2999 2664.8492 0.0000 0.0000 52432.9737 -109542.1783 301.3330 -161975.1520 -109178.9228 299.4742 199.2034 230.1151 759270.7281 20.5221 20.4972 PRESSURE: 618000 -186.916 -7.73372 72.5147 -7.73392 75.2582 45.226 72.5149 45.2255 248.737 GPRESSURE: 618000 -210.454 8.79527 39.1029 -69.5848 203.767 38.5544 -2.89279 60.2871 208.752 PRESSAVG: 618000 -27.4279 27.8582 2.04299 27.8582 29.5434 5.04941 2.04295 5.04941 -9.56838 GPRESSAVG: 618000 -28.8321 25.6039 0.530782 28.8028 31.1682 5.4745 0.412337 5.50224 -10.2435 TIMING: 618000 CPU: 2011.34, 0.00323532/step Wall: 2011.34, 0.00323532/step, 3.9381 hours remaining, 231.527344 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: 618000 3963.1207 20600.3277 14484.2080 252.1010 -203533.0508 2621.0804 0.0000 0.0000 51945.2053 -109667.0076 298.5298 -161612.2129 -109308.2007 299.4722 45.6931 67.3550 759994.3428 -2.4843 -2.6358 PRESSURE: 618200 -43.3241 -52.1901 -19.0503 -52.1902 -217.883 103.468 -19.0506 103.468 -137.534 GPRESSURE: 618200 -34.9145 -52.9373 -25.4064 -45.453 -72.9838 101.644 -11.8605 105.492 -191.347 PRESSAVG: 618200 42.0615 -48.5191 14.7931 -48.519 -26.705 55.3321 14.7931 55.3321 2.11239 GPRESSAVG: 618200 41.775 -45.8095 14.7456 -47.8706 -26.4387 56.852 14.3836 53.4625 2.48216 TIMING: 618200 CPU: 2011.98, 0.00320042/step Wall: 2011.98, 0.00320042/step, 3.89545 hours remaining, 231.527344 MB of memory in use. ENERGY: 618200 4010.8554 20430.7053 14453.4987 238.9520 -202936.7740 2288.1934 0.0000 0.0000 51690.6909 -109823.8784 297.0671 -161514.5692 -109464.8164 298.9089 -132.9136 -99.7484 759697.2002 5.8230 5.9395 PRESSURE: 618400 -304.588 123.408 -73.9854 123.408 179.219 87.547 -73.9853 87.5465 -337.613 GPRESSURE: 618400 -187.061 59.652 -21.6753 237.055 132.043 41.497 -92.1465 6.05949 -317.221 PRESSAVG: 618400 -60.5154 -12.1642 28.74 -12.1642 88.7006 6.22925 28.7401 6.22922 4.6831 GPRESSAVG: 618400 -58.6131 -11.8678 30.0572 -13.8796 86.8717 5.09632 31.593 6.25516 4.18639 TIMING: 618400 CPU: 2012.62, 0.00320483/step Wall: 2012.62, 0.00320483/step, 3.90064 hours remaining, 231.527344 MB of memory in use. ENERGY: 618400 3991.3699 20359.9678 14490.2919 235.0598 -203017.7698 2328.9761 0.0000 0.0000 52136.1350 -109475.9693 299.6271 -161612.1043 -109113.0565 298.9305 -154.3274 -124.0799 760135.5709 10.9561 10.8150 PRESSURE: 618600 174.985 -60.1807 -226.126 -60.181 161.857 117.896 -226.126 117.896 15.8964 GPRESSURE: 618600 183.032 -44.9113 -137.65 20.0282 161.815 118.798 -207.496 89.649 85.4315 PRESSAVG: 618600 29.2844 -22.6002 -11.7914 -22.6003 -28.4677 -3.67919 -11.7913 -3.67916 8.80643 GPRESSAVG: 618600 26.9366 -24.4971 -12.1665 -19.8124 -27.3114 -4.04269 -13.1282 -5.74289 9.71127 TIMING: 618600 CPU: 2013.26, 0.00319056/step Wall: 2013.26, 0.00319055/step, 3.88308 hours remaining, 231.527344 MB of memory in use. ENERGY: 618600 3965.3754 20681.9766 14440.7165 246.1306 -203428.3288 2705.4248 0.0000 0.0000 51970.9421 -109417.7629 298.6777 -161388.7050 -109065.6827 299.5587 117.5795 143.4261 759693.7437 3.2077 3.1122 PRESSURE: 618800 96.4928 -104.078 202.158 -104.079 -96.2762 -157.607 202.159 -157.606 -33.3533 GPRESSURE: 618800 123.68 -80.9642 237.888 -200.546 -22.8372 -146.753 108.514 -241.967 -33.6715 PRESSAVG: 618800 -30.0203 27.7994 45.4606 27.7996 82.398 -14.9553 45.4605 -14.9552 20.5575 GPRESSAVG: 618800 -28.7532 26.5566 47.6011 25.6907 82.4935 -13.2669 43.4898 -11.9307 18.7949 TIMING: 618800 CPU: 2013.9, 0.00320974/step Wall: 2013.9, 0.00320974/step, 3.90626 hours remaining, 231.527344 MB of memory in use. ENERGY: 618800 3954.6239 20442.8651 14473.1266 242.4708 -203378.7076 2534.3386 0.0000 0.0000 52218.1012 -109513.1814 300.0981 -161731.2826 -109147.9029 299.3253 -11.0456 22.3906 760859.4777 24.3117 24.1784 PRESSURE: 619000 83.9528 114.493 -182.127 114.492 -55.7703 33.176 -182.127 33.1765 -241.839 GPRESSURE: 619000 157.86 140.167 -205.831 244.314 -122.701 -20.5708 -251.841 84.5941 -154.093 PRESSAVG: 619000 74.5506 -15.3416 14.5273 -15.3415 -28.7177 4.95285 14.5273 4.9528 -1.3327 GPRESSAVG: 619000 73.9988 -13.5195 12.5982 -14.3016 -30.1894 3.69378 16.8307 4.51799 0.411294 TIMING: 619000 CPU: 2014.54, 0.0031831/step Wall: 2014.54, 0.0031831/step, 3.87365 hours remaining, 231.527344 MB of memory in use. ENERGY: 619000 3998.0038 20488.5200 14476.7867 243.3433 -203423.0093 2611.6354 0.0000 0.0000 52097.8227 -109506.8974 299.4069 -161604.7201 -109154.5847 299.2976 -71.2189 -39.6449 760176.3425 14.8334 14.7402 PRESSURE: 619200 -312.276 149.781 -126.775 149.78 -499.23 72.4948 -126.775 72.4958 -452.97 GPRESSURE: 619200 -242.503 79.292 -74.0027 72.0541 -434.565 -81.0913 -127.126 288.997 -504.005 PRESSAVG: 619200 15.2336 1.274 -5.6824 1.274 -4.95682 28.7191 -5.68248 28.7191 -6.19075 GPRESSAVG: 619200 13.8409 1.10468 -5.32589 -0.966038 -3.9121 28.103 -4.77307 30.8705 -5.87869 TIMING: 619200 CPU: 2015.18, 0.00320153/step Wall: 2015.18, 0.00320153/step, 3.8959 hours remaining, 231.527344 MB of memory in use. ENERGY: 619200 3981.2383 20291.1181 14467.8575 243.3840 -202890.9706 2174.0206 0.0000 0.0000 52081.7222 -109651.6298 299.3144 -161733.3521 -109287.2428 298.7395 -421.4920 -393.6911 761792.0177 1.3620 1.3500 PRESSURE: 619400 120.762 64.1377 16.0364 64.1373 124.84 41.0056 16.0359 41.0053 174.857 GPRESSURE: 619400 225.699 34.2197 152.604 -81.9213 124.802 58.1986 43.9016 -15.7194 122.955 PRESSAVG: 619400 -22.6722 16.0191 -50.5931 16.0191 37.1696 6.31463 -50.5933 6.3147 22.2153 GPRESSAVG: 619400 -21.6413 14.6051 -49.5124 16.4355 37.1942 6.80537 -53.6534 5.79898 20.9678 TIMING: 619400 CPU: 2015.82, 0.00319601/step Wall: 2015.82, 0.00319601/step, 3.88901 hours remaining, 231.527344 MB of memory in use. ENERGY: 619400 3980.2117 20517.4431 14427.9003 225.9470 -203130.7692 2436.5523 0.0000 0.0000 52007.0812 -109535.6336 298.8854 -161542.7149 -109176.9258 299.0612 140.1530 157.8190 760779.3503 12.2376 12.1736 PRESSURE: 619600 266.963 -105.549 -75.6901 -105.549 -103.301 -208.629 -75.6896 -208.63 -22.7299 GPRESSURE: 619600 271.123 -187.804 -16.5968 -168.531 -82.1875 -226.859 -17.1024 -321.539 36.1 PRESSAVG: 619600 10.0659 -12.6995 -49.8537 -12.6995 -56.9402 -49.3117 -49.8537 -49.3117 -20.802 GPRESSAVG: 619600 11.8659 -11.4449 -50.9569 -9.77764 -57.8291 -48.1368 -48.6457 -52.0955 -20.9623 TIMING: 619600 CPU: 2016.47, 0.00324289/step Wall: 2016.47, 0.00324289/step, 3.94588 hours remaining, 231.527344 MB of memory in use. ENERGY: 619600 3953.6110 20352.9471 14460.1854 265.3025 -203506.0240 2725.5189 0.0000 0.0000 51975.5378 -109772.9213 298.7041 -161748.4591 -109425.8380 298.8380 46.9775 75.0119 761377.2625 -22.5588 -22.3085 PRESSURE: 619800 387.044 -0.528487 -213.086 -0.527644 105.394 -26.1194 -213.085 -26.1189 327.595 GPRESSURE: 619800 361.861 71.7065 -272.483 67.8049 133.554 -58.7538 -121.599 64.9345 404.128 PRESSAVG: 619800 43.7043 27.6417 -11.3277 27.6417 -33.0363 -37.3695 -11.3277 -37.3694 4.0305 GPRESSAVG: 619800 41.4421 26.364 -11.1538 28.5928 -31.6279 -38.1167 -9.39586 -35.2491 5.30206 TIMING: 619800 CPU: 2017.11, 0.00322701/step Wall: 2017.11, 0.00322701/step, 3.92638 hours remaining, 231.527344 MB of memory in use. ENERGY: 619800 3907.5116 20372.3814 14539.4808 254.1733 -203833.5610 2856.6140 0.0000 0.0000 52077.9704 -109825.4296 299.2928 -161903.4000 -109470.3510 298.5379 273.3444 299.8479 759182.3398 4.8995 5.0388 PRESSURE: 620000 -158.836 -105.629 -115.249 -105.629 -71.8256 231.482 -115.249 231.483 -135.269 GPRESSURE: 620000 -33.643 -101.013 -29.137 -241.554 -90.336 157.372 -160.693 127.54 -164.065 PRESSAVG: 620000 45.0231 -8.62967 -45.0254 -8.62963 -39.4987 -43.1268 -45.0254 -43.1269 -22.8003 GPRESSAVG: 620000 46.4789 -8.92448 -44.502 -10.1048 -40.429 -42.6455 -46.4703 -45.2137 -23.3009 TIMING: 620000 CPU: 2017.76, 0.00322809/step Wall: 2017.76, 0.00322809/step, 3.92751 hours remaining, 231.527344 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: 620000 3942.2933 20353.5514 14422.8444 261.9465 -203362.3416 2582.3375 0.0000 0.0000 51840.2372 -109959.1313 297.9266 -161799.3684 -109589.7077 298.3029 -121.9768 -96.0145 761801.0640 -5.7586 -5.7504 PRESSURE: 620200 80.0802 -153.199 -33.9113 -153.199 83.2988 -82.7819 -33.9117 -82.7814 -126.994 GPRESSURE: 620200 95.7833 -177.752 -29.5052 -153.331 132.162 -103.828 -135.884 97.0599 -121.884 PRESSAVG: 620200 -25.4041 -9.98546 -0.298079 -9.9855 39.3571 7.40968 -0.298073 7.40964 7.1029 GPRESSAVG: 620200 -25.4952 -10.2523 -1.40743 -9.70708 40.0828 7.5092 -0.524596 8.61849 6.42313 TIMING: 620200 CPU: 2018.41, 0.00325124/step Wall: 2018.41, 0.00325124/step, 3.9555 hours remaining, 231.527344 MB of memory in use. ENERGY: 620200 3985.8118 20535.4929 14497.4671 260.9726 -203053.0947 2451.6789 0.0000 0.0000 51604.6177 -109717.0537 296.5724 -161321.6714 -109352.7072 297.8060 12.1282 35.3537 760648.6855 7.0186 7.0036 LDB: ============= START OF LOAD BALANCING ============== 2030.83 LDB: ============== END OF LOAD BALANCING =============== 2030.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2030.84 LDB: ============= START OF LOAD BALANCING ============== 2031.16 LDB: Largest compute 7043 load 0.034784 is 17.8% of average load 0.194971 LDB: Average compute 0.004400 is 2.3% of average load 0.194971 LDB: TIME 2031.16 LOAD: AVG 0.194971 MAX 0.215758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.918 MB LDB: TIME 2031.16 LOAD: AVG 0.194971 MAX 0.215758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.121 MB LDB: TIME 2031.16 LOAD: AVG 0.194971 MAX 0.215758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.121 MB LDB: ============== END OF LOAD BALANCING =============== 2031.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2031.17 PRESSURE: 620400 20.2309 -167.833 136.567 -167.833 -82.6408 -50.0124 136.567 -50.0137 97.9391 GPRESSURE: 620400 100.172 -162.676 80.0501 -133.513 -81.4658 -66.4743 108.597 -81.0639 111.23 PRESSAVG: 620400 0.213895 -59.0815 12.2733 -59.0815 -7.41285 0.94451 12.2733 0.944496 10.4712 GPRESSAVG: 620400 -0.137224 -56.7039 13.2645 -60.6347 -7.98893 2.25761 12.0808 2.00043 12.4027 TIMING: 620400 CPU: 2019.06, 0.0032598/step Wall: 2019.06, 0.0032598/step, 3.96573 hours remaining, 231.046875 MB of memory in use. ENERGY: 620400 3986.6966 20571.3524 14464.6294 242.6298 -203512.4475 2568.3541 0.0000 0.0000 51981.8498 -109696.9355 298.7404 -161678.7853 -109324.3929 297.9415 11.8430 43.3119 759681.8233 1.0907 1.4255 PRESSURE: 620600 89.8727 163.768 -92.0996 163.768 -34.5661 170.619 -92.0992 170.62 -305.839 GPRESSURE: 620600 75.4289 95.1457 -115.036 27.3068 -4.64337 125.876 64.6473 210.642 -240.338 PRESSAVG: 620600 40.8741 -11.9795 6.6853 -11.9796 -4.79752 -4.58857 6.68528 -4.58844 -16.0485 GPRESSAVG: 620600 41.5338 -12.1731 5.00441 -12.3356 -3.91375 -6.68595 7.78471 -4.82135 -17.3106 TIMING: 620600 CPU: 2019.7, 0.00318708/step Wall: 2019.7, 0.00318708/step, 3.87709 hours remaining, 231.250000 MB of memory in use. ENERGY: 620600 3904.9497 20592.9670 14505.1378 248.2347 -202941.7906 2236.4926 0.0000 0.0000 51744.2496 -109709.7592 297.3749 -161454.0088 -109349.6725 298.5058 -83.5108 -56.5175 761188.4583 6.6760 6.7698 PRESSURE: 620800 393.76 -56.3048 175.096 -56.3044 48.4587 33.2666 175.097 33.2656 167.144 GPRESSURE: 620800 430.835 -113.965 129.129 45.3345 57.6732 73.2136 286.823 -88.4909 187.953 PRESSAVG: 620800 9.19804 -15.5259 -6.63593 -15.5258 44.6151 -26.7998 -6.63593 -26.7998 23.6944 GPRESSAVG: 620800 7.87798 -15.33 -6.78658 -13.4504 45.6341 -27.6329 -6.98981 -27.4836 23.9048 TIMING: 620800 CPU: 2020.33, 0.00317243/step Wall: 2020.33, 0.00317242/step, 3.85908 hours remaining, 231.453125 MB of memory in use. ENERGY: 620800 3999.3519 20497.0927 14546.7288 258.1117 -203412.0237 2623.3116 0.0000 0.0000 51807.0427 -109680.3842 297.7358 -161487.4270 -109317.8239 298.8658 203.1209 225.4869 759423.3924 25.8359 25.8056 PRESSURE: 621000 370.616 26.225 -33.1704 26.2251 122.314 -37.4778 -33.1708 -37.477 -130.381 GPRESSURE: 621000 411.072 18.206 -70.912 101.104 121.108 -105.659 -73.8179 18.2298 -104.194 PRESSAVG: 621000 4.09396 -47.8418 18.7127 -47.8418 -12.7827 23.0037 18.7127 23.0036 -7.95977 GPRESSAVG: 621000 5.54764 -50.1845 18.9831 -46.6636 -15.037 24.9948 18.4038 22.9441 -8.04983 TIMING: 621000 CPU: 2020.97, 0.00320176/step Wall: 2020.97, 0.00320176/step, 3.89458 hours remaining, 231.656250 MB of memory in use. ENERGY: 621000 3888.8059 20370.2418 14497.6801 253.2637 -203640.2317 2548.4172 0.0000 0.0000 52403.5182 -109678.3047 301.1637 -162081.8230 -109312.2240 299.1322 120.8496 142.6621 758828.0785 -5.5495 -5.8464 PRESSURE: 621200 -19.5438 -7.78032 187.783 -7.78096 -205.384 -262.199 187.782 -262.199 17.9638 GPRESSURE: 621200 27.5242 37.0407 162.654 -63.3906 -130.918 -261.722 147.971 -228.494 1.9183 PRESSAVG: 621200 37.973 -22.2488 -14.0162 -22.2488 -40.8618 9.29807 -14.0162 9.29812 -25.3187 GPRESSAVG: 621200 36.8099 -17.8772 -12.8926 -25.1668 -39.6289 10.0125 -14.2221 7.56652 -24.96 TIMING: 621200 CPU: 2021.61, 0.00320171/step Wall: 2021.61, 0.00320171/step, 3.89435 hours remaining, 231.656250 MB of memory in use. ENERGY: 621200 3964.6300 20355.4757 14553.8653 259.1932 -203605.9601 2506.7952 0.0000 0.0000 52262.3451 -109703.6556 300.3524 -161966.0006 -109338.6589 299.3136 -68.9881 -33.8251 761065.6828 -9.4025 -9.2597 PRESSURE: 621400 -21.5489 168.245 -68.2455 168.246 -97.4979 -22.7826 -68.2458 -22.7832 -40.9729 GPRESSURE: 621400 67.3572 177.082 -27.8405 125.416 -84.2378 -28.5881 -27.3268 66.6024 -70.7876 PRESSAVG: 621400 2.76212 24.5418 -23.7628 24.5418 5.81963 33.6338 -23.7627 33.6338 0.35532 GPRESSAVG: 621400 3.9342 22.6855 -22.9753 25.074 4.72158 30.9313 -24.7744 35.3807 -0.173854 TIMING: 621400 CPU: 2022.25, 0.00321031/step Wall: 2022.25, 0.00321031/step, 3.90463 hours remaining, 231.656250 MB of memory in use. ENERGY: 621400 3903.2638 20650.2464 14471.0931 233.1114 -203450.2086 2348.2417 0.0000 0.0000 52175.5304 -109668.7220 299.8535 -161844.2524 -109305.6966 299.2439 -53.3399 -29.2228 759673.7934 2.9790 2.8273 PRESSURE: 621600 418.575 158.398 90.8916 158.398 154.843 129.309 90.8911 129.309 -152.698 GPRESSURE: 621600 486.94 153.433 42.1912 241.974 112.287 101.41 -26.3281 173.518 -92.0628 PRESSAVG: 621600 -26.9166 -19.0235 13.1251 -19.0236 -19.7819 -1.67936 13.125 -1.6793 15.2076 GPRESSAVG: 621600 -27.7011 -19.6022 11.753 -15.6638 -19.4161 -0.611911 14.0466 -1.54588 16.1514 TIMING: 621600 CPU: 2022.89, 0.00317067/step Wall: 2022.89, 0.00317067/step, 3.85624 hours remaining, 231.656250 MB of memory in use. ENERGY: 621600 3916.0090 20678.0545 14474.2505 242.5161 -203410.0598 2436.9783 0.0000 0.0000 52025.1115 -109637.1398 298.9890 -161662.2514 -109282.3065 298.9595 140.2402 169.0548 759055.2065 -10.4969 -10.3219 PRESSURE: 621800 79.522 11.3316 7.27595 11.3315 -372.948 63.8446 7.27494 63.845 -23.4316 GPRESSURE: 621800 65.4923 41.6285 -15.468 -46.2636 -272.702 -1.90412 50.3237 197.764 -12.8393 PRESSAVG: 621800 65.3792 -21.8921 2.5343 -21.8921 -83.0174 24.7044 2.53422 24.7044 -8.43313 GPRESSAVG: 621800 65.599 -22.1144 2.29135 -25.5424 -83.3526 25.9616 3.91929 25.4385 -8.53319 TIMING: 621800 CPU: 2023.53, 0.0031852/step Wall: 2023.53, 0.0031852/step, 3.87374 hours remaining, 231.656250 MB of memory in use. ENERGY: 621800 3949.7158 20594.9639 14520.4934 237.8924 -203644.7536 2532.4738 0.0000 0.0000 52230.9435 -109578.2710 300.1720 -161809.2144 -109206.7989 298.8367 -105.6191 -73.3496 759204.6042 -8.6904 -8.7623 PRESSURE: 622000 -1.13816 -194.055 235.707 -194.055 -231.5 118.64 235.707 118.641 151.632 GPRESSURE: 622000 2.53236 -244.614 245.605 -157.724 -153.259 84.4482 185.202 159.087 159.36 PRESSAVG: 622000 -12.358 19.3562 -3.60081 19.3562 27.6637 -2.67282 -3.60079 -2.67289 -5.05577 GPRESSAVG: 622000 -12.1337 18.6798 -2.7068 21.0321 28.0332 -3.62654 -3.58721 -2.21537 -5.84757 TIMING: 622000 CPU: 2024.16, 0.00318968/step Wall: 2024.16, 0.00318968/step, 3.87901 hours remaining, 231.656250 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: 622000 3969.9429 20784.9887 14455.5054 259.1148 -203330.4138 2377.5687 0.0000 0.0000 51960.5496 -109522.7437 298.6180 -161483.2933 -109163.8499 299.1823 -27.0022 2.8779 761083.0773 3.4166 3.3506 PRESSURE: 622200 -431.838 86.0378 22.2782 86.0382 173.513 6.52396 22.2779 6.52392 -333.66 GPRESSURE: 622200 -393.972 158.079 -4.57148 155.434 187.378 27.063 -3.89514 -9.69047 -315.54 PRESSAVG: 622200 38.7591 -39.3175 40.7284 -39.3175 -47.3852 14.708 40.7284 14.708 17.6799 GPRESSAVG: 622200 36.5667 -37.255 41.0028 -42.5885 -46.7708 14.5194 39.0418 14.6386 18.4656 TIMING: 622200 CPU: 2024.8, 0.0032018/step Wall: 2024.8, 0.0032018/step, 3.89357 hours remaining, 231.656250 MB of memory in use. ENERGY: 622200 3972.1120 20570.6814 14447.5682 244.1700 -203428.5992 2452.0747 0.0000 0.0000 52220.8303 -109521.1626 300.1138 -161741.9928 -109157.7945 299.2578 -197.3286 -174.0447 760610.2421 3.0180 2.7538 PRESSURE: 622400 260.539 -266.248 26.1705 -266.249 174.483 -120.928 26.1707 -120.926 22.7428 GPRESSURE: 622400 292.143 -238.356 56.305 -250.346 235.051 -82.0336 -63.001 -150.12 6.61957 PRESSAVG: 622400 8.39643 7.61914 55.4298 7.61905 9.49115 73.7663 55.4298 73.7663 -10.7361 GPRESSAVG: 622400 8.78929 6.28971 54.8793 10.6818 9.28223 75.6264 56.4577 70.7128 -11.1051 TIMING: 622400 CPU: 2025.44, 0.00318304/step Wall: 2025.44, 0.00318304/step, 3.87057 hours remaining, 231.656250 MB of memory in use. ENERGY: 622400 4024.8428 20581.8920 14421.8276 262.7267 -203612.7080 2528.7606 0.0000 0.0000 52289.9446 -109502.7138 300.5110 -161792.6584 -109135.4660 299.1224 152.5882 177.9380 760606.8597 2.3838 2.3221 PRESSURE: 622600 -142.173 -25.6573 84.5715 -25.6558 63.7568 -215.022 84.5716 -215.023 -274.553 GPRESSURE: 622600 -143.477 -98.3377 161.699 -58.2632 21.431 -132.423 60.2411 -42.7169 -143.864 PRESSAVG: 622600 13.3232 -18.3201 -14.058 -18.3202 -54.0335 19.7672 -14.0581 19.7671 -10.3862 GPRESSAVG: 622600 14.5052 -18.9054 -13.3692 -20.9719 -55.5928 17.6388 -15.8984 22.213 -9.94267 TIMING: 622600 CPU: 2026.08, 0.00317218/step Wall: 2026.08, 0.00317218/step, 3.85719 hours remaining, 231.656250 MB of memory in use. ENERGY: 622600 4015.6724 20572.1275 14498.1170 261.8067 -203604.1276 2592.5680 0.0000 0.0000 52213.8333 -109450.0027 300.0736 -161663.8360 -109086.6819 299.8441 -117.6561 -88.6369 761122.2988 -17.0322 -17.0101 PRESSURE: 622800 -131.275 -2.21071 -27.0653 -2.21063 -226.69 259.513 -27.0657 259.514 -608.986 GPRESSURE: 622800 -60.7818 42.9169 -103.304 -114.043 -273.135 215.099 -18.7494 152.575 -554.254 PRESSAVG: 622800 -14.1869 -45.1892 -37.869 -45.1892 28.3051 -12.1058 -37.8689 -12.1058 -2.90739 GPRESSAVG: 622800 -14.1956 -43.1001 -38.4632 -43.4781 28.818 -11.6844 -37.3021 -12.5766 -3.27852 TIMING: 622800 CPU: 2026.72, 0.00324696/step Wall: 2026.72, 0.00324696/step, 3.94794 hours remaining, 231.656250 MB of memory in use. ENERGY: 622800 3965.6686 20547.0981 14476.8590 247.0986 -203053.8744 2304.0967 0.0000 0.0000 52017.1329 -109495.9205 298.9432 -161513.0534 -109122.0809 299.5833 -322.3171 -296.0572 761535.4699 3.7369 3.7813 PRESSURE: 623000 -181.185 -24.6773 -38.0186 -24.6769 -64.105 221.731 -38.0175 221.73 -466.466 GPRESSURE: 623000 -216.082 76.6063 -62.5959 -15.4053 -66.7039 173.031 -69.7065 267.877 -340.221 PRESSAVG: 623000 -7.57617 -15.7999 2.082 -15.7998 -29.1803 1.67637 2.08194 1.67629 -5.18702 GPRESSAVG: 623000 -6.58934 -17.5934 1.80627 -14.4341 -29.4254 0.912333 3.07438 2.52279 -5.53811 TIMING: 623000 CPU: 2027.37, 0.00322895/step Wall: 2027.37, 0.00322895/step, 3.92586 hours remaining, 231.656250 MB of memory in use. ENERGY: 623000 3916.8006 20698.8995 14518.6741 222.6514 -203552.4389 2708.0006 0.0000 0.0000 52060.7852 -109426.6275 299.1940 -161487.4127 -109065.6775 299.4100 -237.2520 -207.6690 762013.8379 -13.9812 -13.8510 PRESSURE: 623200 316.422 123.864 242.752 123.864 -59.2649 -88.8786 242.753 -88.8798 1.34447 GPRESSURE: 623200 372.466 19.326 241.274 231.337 -15.8198 -54.5145 188.702 51.3381 -5.91312 PRESSAVG: 623200 7.05895 -1.47738 27.5443 -1.47738 30.4698 0.695362 27.5442 0.695364 29.5511 GPRESSAVG: 623200 6.99113 -1.10576 28.467 -3.02814 30.493 1.04394 27.2465 0.319022 29.8618 TIMING: 623200 CPU: 2028.01, 0.00319478/step Wall: 2028.01, 0.00319478/step, 3.88415 hours remaining, 231.644531 MB of memory in use. ENERGY: 623200 3991.2183 20639.3269 14504.4827 256.9044 -204054.3897 2864.5362 0.0000 0.0000 52452.3632 -109345.5581 301.4445 -161797.9212 -108979.7590 300.0684 86.1674 116.9109 760351.1991 22.3600 22.4486 PRESSURE: 623400 211.582 134.441 -53.5952 134.441 24.1344 -111.132 -53.595 -111.132 20.0714 GPRESSURE: 623400 168.91 150.335 -46.7826 58.1954 151.29 -92.1915 -107.982 42.5261 25.1479 PRESSAVG: 623400 -1.60112 19.0891 39.7998 19.0891 40.1918 -16.4153 39.7998 -16.4154 -22.7026 GPRESSAVG: 623400 -1.81283 19.9192 41.177 18.3455 40.2749 -15.0419 37.6752 -16.6773 -22.0374 TIMING: 623400 CPU: 2028.64, 0.00316119/step Wall: 2028.64, 0.00316119/step, 3.84312 hours remaining, 231.644531 MB of memory in use. ENERGY: 623400 3971.2306 20464.0422 14521.6514 246.9168 -203431.4393 2702.9582 0.0000 0.0000 52101.8723 -109422.7679 299.4302 -161524.6401 -109060.7026 299.7890 85.2625 115.1161 760046.1204 5.2960 5.4749 PRESSURE: 623600 -353.005 192.111 104.205 192.11 -339.261 -141.639 104.206 -141.638 -383.089 GPRESSURE: 623600 -239.209 229.868 68.7991 240.318 -364.832 -86.2714 130.742 -263.728 -364.794 PRESSAVG: 623600 13.1733 18.5251 -0.555489 18.5251 -1.7419 -35.4857 -0.555513 -35.4858 12.1049 GPRESSAVG: 623600 13.0163 18.9526 -1.79331 19.4499 -0.821161 -38.0775 1.30572 -35.0176 11.8561 TIMING: 623600 CPU: 2029.29, 0.00322218/step Wall: 2029.29, 0.00322218/step, 3.9171 hours remaining, 231.644531 MB of memory in use. ENERGY: 623600 3991.2432 20491.3733 14501.9873 253.7482 -203276.9260 2382.2137 0.0000 0.0000 52237.4361 -109418.9242 300.2093 -161656.3603 -109054.2997 299.8775 -358.4518 -322.9449 761073.9338 7.8454 8.0171 PRESSURE: 623800 164.81 -77.929 68.0123 -77.9284 186.991 -244.088 68.013 -244.088 256.376 GPRESSURE: 623800 95.0469 -10.3031 71.4447 -178.165 255.181 -173.616 36.8754 -169.547 334.293 PRESSAVG: 623800 -41.9522 -3.44327 27.6808 -3.44326 36.2858 -42.8505 27.6808 -42.8505 6.14753 GPRESSAVG: 623800 -40.9113 -3.70311 29.4124 -3.46036 36.2 -42.4229 25.9524 -42.5451 5.00608 TIMING: 623800 CPU: 2029.93, 0.00323757/step Wall: 2029.93, 0.00323757/step, 3.93563 hours remaining, 231.644531 MB of memory in use. ENERGY: 623800 3924.4068 20698.0717 14484.7804 258.2175 -203733.6349 2644.2892 0.0000 0.0000 52062.5911 -109661.2781 299.2044 -161723.8693 -109300.9431 299.4400 202.7256 228.1736 758057.6282 0.1604 0.0983 PRESSURE: 624000 -365.623 -99.9558 252.304 -99.9557 -327.6 247.45 252.304 247.451 102.939 GPRESSURE: 624000 -320.055 -137.731 320.14 -177.094 -176.917 196.716 90.255 203.159 -10.4845 PRESSAVG: 624000 40.1943 -70.7287 1.45596 -70.7287 -38.9078 20.3674 1.45597 20.3675 9.46947 GPRESSAVG: 624000 38.5415 -70.1685 0.426378 -69.9295 -37.3927 22.0019 4.56274 19.7583 10.1579 TIMING: 624000 CPU: 2030.57, 0.00318915/step Wall: 2030.57, 0.00318915/step, 3.87659 hours remaining, 231.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 624000 4023.8364 20612.6267 14452.0904 250.8966 -203599.4533 2441.0391 0.0000 0.0000 51981.5884 -109837.3756 298.7389 -161818.9640 -109473.2365 298.8005 -196.7615 -169.1521 760448.9118 3.5853 3.7689 PRESSURE: 624200 -345.215 92.2047 182.944 92.204 -3.49016 -72.6383 182.944 -72.6377 -202.176 GPRESSURE: 624200 -246.93 86.606 179.638 188.39 -26.6364 -129.741 139.764 -69.096 -179 PRESSAVG: 624200 4.13607 -25.4314 8.11739 -25.4314 -55.1991 -4.42163 8.11739 -4.4216 -34.0067 GPRESSAVG: 624200 5.02219 -27.1153 7.86102 -29.1811 -57.4872 -5.02871 4.92112 -3.67219 -32.9551 TIMING: 624200 CPU: 2031.21, 0.00319359/step Wall: 2031.21, 0.00319359/step, 3.88181 hours remaining, 231.644531 MB of memory in use. ENERGY: 624200 3987.8561 20597.2817 14451.1021 242.9375 -203206.3639 2324.1197 0.0000 0.0000 51872.4040 -109730.6629 298.1114 -161603.0669 -109369.8239 299.0225 -183.6271 -150.8557 762027.1649 -28.3566 -28.4734 LDB: ============= START OF LOAD BALANCING ============== 2043.63 LDB: ============== END OF LOAD BALANCING =============== 2043.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2043.64 LDB: ============= START OF LOAD BALANCING ============== 2043.96 LDB: Largest compute 7073 load 0.033323 is 17.1% of average load 0.194954 LDB: Average compute 0.004384 is 2.2% of average load 0.194954 LDB: TIME 2043.96 LOAD: AVG 0.194954 MAX 0.216638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.883 MB LDB: TIME 2043.96 LOAD: AVG 0.194954 MAX 0.216638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.953 MB LDB: TIME 2043.96 LOAD: AVG 0.194954 MAX 0.216638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.953 MB LDB: ============== END OF LOAD BALANCING =============== 2043.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2043.97 PRESSURE: 624400 -210.604 105.197 -136.878 105.197 -300.85 -105.985 -136.879 -105.985 292.379 GPRESSURE: 624400 -117.931 100.121 -143.906 183.744 -295.122 -136.767 -150.595 -185.964 290.6 PRESSAVG: 624400 -22.6145 -75.8894 35.3446 -75.8894 2.94084 23.6615 35.3446 23.6615 25.3218 GPRESSAVG: 624400 -22.198 -76.8763 36.6318 -72.5399 3.34423 23.6478 36.7083 22.9503 24.8628 TIMING: 624400 CPU: 2031.86, 0.00325542/step Wall: 2031.86, 0.00325542/step, 3.95678 hours remaining, 231.128906 MB of memory in use. ENERGY: 624400 4014.3656 20586.5112 14391.3562 250.4112 -203350.6935 2329.4037 0.0000 0.0000 51958.5477 -109820.0980 298.6065 -161778.6457 -109447.2974 298.5382 -73.0250 -40.8178 760868.3392 1.8827 2.0030 PRESSURE: 624600 -1.31326 -45.8265 212.342 -45.827 -31.2839 -21.2975 212.341 -21.2973 140.18 GPRESSURE: 624600 3.48755 -75.6037 145.776 -100.07 -3.74438 12.8987 180.958 32.4819 211.138 PRESSAVG: 624600 -15.6784 9.58214 30.0675 9.58212 14.0015 4.42576 30.0675 4.42563 -1.47865 GPRESSAVG: 624600 -15.3237 10.0927 28.5414 6.6738 13.248 5.00031 31.6216 4.62212 -1.30666 TIMING: 624600 CPU: 2032.49, 0.00315333/step Wall: 2032.49, 0.00315333/step, 3.83252 hours remaining, 231.128906 MB of memory in use. ENERGY: 624600 3965.4931 20517.3216 14537.5401 247.0922 -203466.6813 2232.3794 0.0000 0.0000 52247.2562 -109719.5987 300.2657 -161966.8548 -109352.8052 299.7897 35.8611 70.2936 757961.3300 -1.0518 -1.1274 PRESSURE: 624800 86.1199 123.62 -179.296 123.619 -68.3317 -193.838 -179.297 -193.838 -23.8741 GPRESSURE: 624800 40.6381 124.94 -210.155 105.225 19.0453 -183.869 -137.547 -207.874 10.2569 PRESSAVG: 624800 -7.9498 18.5589 59.3602 18.559 21.2414 -19.5149 59.3603 -19.515 -10.2771 GPRESSAVG: 624800 -8.8109 19.1035 59.6442 21.0222 21.8111 -20.4973 59.4972 -20.5827 -9.71786 TIMING: 624800 CPU: 2033.13, 0.00317869/step Wall: 2033.13, 0.00317869/step, 3.86317 hours remaining, 231.332031 MB of memory in use. ENERGY: 624800 4010.3789 20650.4824 14520.5104 240.9276 -204017.1478 2748.6957 0.0000 0.0000 52173.3676 -109672.7852 299.8411 -161846.1528 -109314.3728 299.1812 -2.0286 23.3134 757914.7599 1.0048 1.0941 PRESSURE: 625000 -66.6033 10.9877 266.162 10.9885 -372.311 95.3902 266.162 95.3902 0.512498 GPRESSURE: 625000 -106.563 21.5369 260.363 122.335 -323.429 101.05 143.098 -15.2009 84.9256 PRESSAVG: 625000 -6.33431 -12.6256 -15.395 -12.6256 -34.2304 -14.3709 -15.395 -14.3708 -17.9598 GPRESSAVG: 625000 -6.10746 -12.7039 -14.7001 -9.00413 -33.264 -13.9517 -18.6952 -15.3036 -18.9664 TIMING: 625000 CPU: 2033.77, 0.00321187/step Wall: 2033.77, 0.00321187/step, 3.90331 hours remaining, 231.332031 MB of memory in use. ENERGY: 625000 3935.8614 20624.3173 14481.7363 254.6102 -203300.9059 2070.4475 0.0000 0.0000 52091.1203 -109842.8129 299.3684 -161933.9332 -109475.3661 299.1021 -146.1341 -115.0221 760068.4743 -19.5082 -19.4460 PRESSURE: 625200 102.869 -29.8954 -178.46 -29.8951 64.5895 -205.253 -178.459 -205.255 384.779 GPRESSURE: 625200 87.474 -84.7248 -185.429 -65.9272 132.873 -177.998 -221.648 -196.131 413.91 PRESSAVG: 625200 -1.30741 8.21808 10.8159 8.21806 16.5926 -19.8697 10.8159 -19.8696 26.1135 GPRESSAVG: 625200 -1.62057 9.4245 10.8248 3.68449 17.2229 -17.4635 11.609 -16.7071 25.8333 TIMING: 625200 CPU: 2034.41, 0.00320432/step Wall: 2034.41, 0.00320432/step, 3.89396 hours remaining, 231.332031 MB of memory in use. ENERGY: 625200 3878.5069 20639.0327 14404.7439 247.4871 -203664.9743 2559.5621 0.0000 0.0000 52040.5333 -109895.1082 299.0777 -161935.6415 -109528.8597 298.7219 184.0793 211.4192 758739.4300 13.7996 13.8119 PRESSURE: 625400 224.013 -107.352 50.2602 -107.352 56.7256 -38.7062 50.2604 -38.7055 278.346 GPRESSURE: 625400 332.521 -215.513 109.195 43.8718 74.9115 13.1622 30.3607 -130.219 239.183 PRESSAVG: 625400 -8.35965 -42.5635 -21.1119 -42.5636 -1.70521 -11.6429 -21.1118 -11.6429 -23.7316 GPRESSAVG: 625400 -7.91746 -42.4877 -20.5492 -43.2199 -2.21636 -13.3175 -17.6006 -13.5389 -23.7904 TIMING: 625400 CPU: 2035.04, 0.00316459/step Wall: 2035.04, 0.00316459/step, 3.84551 hours remaining, 231.332031 MB of memory in use. ENERGY: 625400 4014.5841 20428.3396 14442.2389 244.9678 -203927.7875 2991.6730 0.0000 0.0000 52017.2014 -109788.7828 298.9436 -161805.9842 -109428.8450 299.1467 186.3617 215.5383 759105.0425 -11.2655 -11.3081 PRESSURE: 625600 217.318 -142.79 -72.5742 -142.791 -44.8036 30.126 -72.5737 30.1262 -185.336 GPRESSURE: 625600 250.254 -68.0415 -90.6752 -107.504 36.9476 83.6617 -282.154 -64.8169 -223.691 PRESSAVG: 625600 -13.2042 -79.7832 2.28609 -79.7831 5.62831 -22.3182 2.28606 -22.3181 -7.31798 GPRESSAVG: 625600 -12.2652 -80.288 0.824104 -77.0602 5.62551 -22.8426 -0.503059 -22.8081 -8.5459 TIMING: 625600 CPU: 2035.68, 0.00315746/step Wall: 2035.68, 0.00315746/step, 3.83667 hours remaining, 231.332031 MB of memory in use. ENERGY: 625600 4036.4561 20640.7964 14437.0096 234.3782 -203754.3478 2597.7432 0.0000 0.0000 52091.3871 -109716.5772 299.3699 -161807.9643 -109356.5627 299.1793 -4.2739 21.1701 760399.9374 -4.9646 -5.0619 PRESSURE: 625800 90.1054 -55.5682 -8.04962 -55.5682 -0.408953 -136.794 -8.04979 -136.795 382.531 GPRESSURE: 625800 115.331 20.7636 104.324 -98.1989 52.3121 -124.232 3.98999 -157.743 387.696 PRESSAVG: 625800 74.4317 -46.6625 11.8254 -46.6625 -83.6619 -39.4073 11.8254 -39.4074 -13.2991 GPRESSAVG: 625800 72.3063 -47.2507 12.9738 -48.896 -84.2459 -39.8323 13.4486 -37.8985 -10.9923 TIMING: 625800 CPU: 2036.31, 0.00318821/step Wall: 2036.31, 0.00318821/step, 3.87385 hours remaining, 231.332031 MB of memory in use. ENERGY: 625800 3986.5065 20596.4440 14451.1824 243.3405 -203928.6068 2973.1863 0.0000 0.0000 51871.3262 -109806.6208 298.1052 -161677.9471 -109457.2497 298.8235 157.4090 185.1132 759221.8873 -7.5097 -7.6440 PRESSURE: 626000 493.19 15.233 160.684 15.2331 182.614 -197.082 160.684 -197.081 -149.353 GPRESSURE: 626000 479.389 22.3466 174.333 -59.3338 241.79 -118.035 241.51 -184.179 -139.258 PRESSAVG: 626000 22.6068 2.71225 18.1146 2.71226 6.78012 -36.6976 18.1146 -36.6976 -0.318135 GPRESSAVG: 626000 22.9506 3.19659 18.4033 2.90585 6.99378 -35.8983 16.2464 -36.9947 -1.53775 TIMING: 626000 CPU: 2036.95, 0.00317873/step Wall: 2036.95, 0.00317873/step, 3.86216 hours remaining, 231.332031 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: 626000 3942.1881 20477.8944 14480.7621 246.3737 -204114.9411 3131.1116 0.0000 0.0000 51769.3798 -110067.2314 297.5193 -161836.6112 -109712.3208 298.3694 175.4837 193.9734 759744.3825 9.6896 9.4689 PRESSURE: 626200 -211.195 -41.1607 59.2958 -41.1612 -217.759 -150.099 59.2957 -150.099 -8.54445 GPRESSURE: 626200 -144.176 -43.826 40.2674 -71.3538 -168.099 -120.123 9.29826 -70.0929 -25.1437 PRESSAVG: 626200 -33.4828 -18.197 16.1066 -18.1971 8.46169 -18.1484 16.1066 -18.1485 -17.8997 GPRESSAVG: 626200 -32.4638 -17.7761 15.517 -18.6055 7.31656 -19.2115 16.2535 -17.1347 -17.0323 TIMING: 626200 CPU: 2037.58, 0.00317593/step Wall: 2037.58, 0.00317593/step, 3.85858 hours remaining, 231.332031 MB of memory in use. ENERGY: 626200 3968.8315 20414.0618 14410.7483 232.8048 -203697.0587 2421.2212 0.0000 0.0000 51847.4744 -110401.9168 297.9681 -162249.3912 -110030.6116 297.8860 -145.8330 -112.4729 758096.3646 -14.3070 -14.0598 PRESSURE: 626400 -3.57697 -0.847862 249.3 -0.84812 205.945 -262.61 249.301 -262.611 152.78 GPRESSURE: 626400 89.3754 -8.13144 262.343 113.125 208.898 -285.428 271.975 -278.544 159.434 PRESSAVG: 626400 -0.755128 -5.11637 42.2374 -5.11641 -29.9541 -25.4204 42.2374 -25.4205 -3.01525 GPRESSAVG: 626400 -2.58066 -5.486 42.2281 -1.79581 -28.2357 -24.2328 43.4162 -29.0773 -3.65318 TIMING: 626400 CPU: 2038.23, 0.0032147/step Wall: 2038.23, 0.0032147/step, 3.9055 hours remaining, 231.332031 MB of memory in use. ENERGY: 626400 3876.0120 20625.1594 14515.3740 233.2345 -204126.8309 3076.6594 0.0000 0.0000 51700.6498 -110099.7418 297.1243 -161800.3915 -109735.5203 298.0338 118.3825 152.5690 759004.2932 -11.2415 -11.4898 PRESSURE: 626600 152.439 -42.7972 244.56 -42.7966 19.883 29.5275 244.561 29.5269 101.054 GPRESSURE: 626600 215.326 25.8686 176.684 45.072 33.4182 79.83 167.896 45.6119 119.916 PRESSAVG: 626600 2.77196 -14.9883 47.7573 -14.9883 37.723 11.936 47.7573 11.9359 8.67155 GPRESSAVG: 626600 3.04504 -14.6749 47.0448 -16.7527 36.5191 11.7198 47.874 15.4144 9.05469 TIMING: 626600 CPU: 2038.86, 0.00318442/step Wall: 2038.86, 0.00318442/step, 3.86855 hours remaining, 231.332031 MB of memory in use. ENERGY: 626600 3947.2009 20321.0878 14478.5886 251.3754 -203507.2196 2426.8210 0.0000 0.0000 51713.1004 -110369.0455 297.1959 -162082.1458 -110002.4511 297.7724 91.1252 122.8868 758657.7342 16.3888 16.2063 PRESSURE: 626800 126.761 -241.222 -222.637 -241.222 -139.047 -75.509 -222.636 -75.5087 4.23004 GPRESSURE: 626800 209.385 -282.962 -244.566 -230.971 -196.053 -128.009 -146.741 -31.3349 64.0852 PRESSAVG: 626800 21.9856 -14.1749 -10.5341 -14.1748 -20.3862 17.0725 -10.5341 17.0724 -1.45391 GPRESSAVG: 626800 22.1856 -14.8713 -11.5773 -14.3429 -21.5392 15.4302 -12.1208 15.4886 -0.453777 TIMING: 626800 CPU: 2039.5, 0.00319658/step Wall: 2039.5, 0.00319658/step, 3.88313 hours remaining, 231.332031 MB of memory in use. ENERGY: 626800 3889.0840 20394.3655 14456.9446 261.5861 -203507.3036 2397.6984 0.0000 0.0000 51849.2522 -110258.3728 297.9784 -162107.6250 -109893.6447 297.5954 -2.6850 25.8057 760145.1169 0.0485 0.0642 PRESSURE: 627000 92.464 -159.075 -184.661 -159.076 -184.322 13.2384 -184.661 13.2386 73.0674 GPRESSURE: 627000 209.282 -120.404 -142.994 -213.433 -224.462 21.1916 -93.0954 205.806 73.2292 PRESSAVG: 627000 41.6553 -66.3219 10.8458 -66.322 -45.0615 -42.4055 10.8457 -42.4055 6.52289 GPRESSAVG: 627000 41.9989 -64.6736 11.4466 -67.2217 -43.7823 -41.0467 12.6766 -40.7319 4.52199 TIMING: 627000 CPU: 2040.15, 0.0032179/step Wall: 2040.15, 0.0032179/step, 3.90885 hours remaining, 231.332031 MB of memory in use. ENERGY: 627000 3981.5265 20407.3146 14452.0633 237.2140 -203629.6535 2308.7946 0.0000 0.0000 51990.5897 -110252.1510 298.7906 -162242.7406 -109876.6454 297.5035 -6.2636 19.3497 757859.7680 1.0389 0.9129 PRESSURE: 627200 280.165 -64.2036 299.996 -64.2038 78.1116 85.3993 299.996 85.3992 24.8913 GPRESSURE: 627200 330.849 -17.511 342.376 -32.6603 77.2628 134.36 232.619 3.13687 79.2726 PRESSAVG: 627200 36.6352 -13.7763 -8.82867 -13.7763 -63.6625 20.2137 -8.82869 20.2137 -14.4678 GPRESSAVG: 627200 35.4543 -14.6889 -7.79726 -13.7139 -63.4229 20.4193 -9.48498 21.9805 -13.948 TIMING: 627200 CPU: 2040.78, 0.00315441/step Wall: 2040.78, 0.00315441/step, 3.83156 hours remaining, 231.332031 MB of memory in use. ENERGY: 627200 3927.8260 20488.0292 14472.6133 233.1278 -203840.6273 2642.7585 0.0000 0.0000 51880.3688 -110195.9036 298.1572 -162076.2724 -109834.8548 298.1910 127.7225 162.4614 759449.1384 -13.8317 -13.9722 PRESSURE: 627400 435.733 -188.511 19.901 -188.511 394.024 114.371 19.9013 114.37 218.739 GPRESSURE: 627400 534.558 -93.0167 -37.5888 -283.68 337.693 114.841 103.851 21.1687 274.254 PRESSAVG: 627400 17.1978 17.2157 19.1255 17.2157 -11.0253 -2.02831 19.1255 -2.02823 13.959 GPRESSAVG: 627400 17.8782 17.3081 17.7191 17.6404 -10.9769 -2.0982 20.2819 -3.64765 13.4371 TIMING: 627400 CPU: 2041.42, 0.00319397/step Wall: 2041.42, 0.00319397/step, 3.87943 hours remaining, 231.332031 MB of memory in use. ENERGY: 627400 3900.6480 20379.9046 14409.2127 243.7483 -203984.4017 2952.0745 0.0000 0.0000 51905.7230 -110193.0905 298.3029 -162098.8136 -109831.3020 298.0345 349.4988 382.1683 758604.0235 6.7105 6.7795 PRESSURE: 627600 70.0758 -12.3605 105.167 -12.3611 -170.881 -155.395 105.167 -155.395 -205.934 GPRESSURE: 627600 50.5099 66.1003 19.7564 -42.9482 -89.1268 -135.916 126.118 -136.161 -182.757 PRESSAVG: 627600 -9.92333 -35.1363 12.7004 -35.1363 16.1105 0.326732 12.7003 0.326616 -19.9074 GPRESSAVG: 627600 -10.0291 -35.9624 15.0172 -36.6468 14.2311 1.11427 13.133 -1.26755 -18.3736 TIMING: 627600 CPU: 2042.05, 0.0031868/step Wall: 2042.05, 0.0031868/step, 3.87054 hours remaining, 231.332031 MB of memory in use. ENERGY: 627600 3917.9353 20440.5973 14520.0296 239.8561 -203776.4976 2528.8620 0.0000 0.0000 51891.5989 -110237.6184 298.2217 -162129.2173 -109880.7801 297.7624 -102.2464 -73.7914 759392.1626 -4.5734 -4.7239 PRESSURE: 627800 9.30986 160.28 7.70579 160.28 -73.2135 -146.868 7.70594 -146.869 153.304 GPRESSURE: 627800 5.30751 225.373 27.9522 59.2659 7.66855 -150.327 -153.835 -177.432 157.493 PRESSAVG: 627800 -23.0974 -43.003 29.1326 -43.003 7.01335 27.0095 29.1325 27.0095 21.9931 GPRESSAVG: 627800 -24.2049 -43.2362 27.1807 -42.7632 9.30639 26.4129 27.9103 28.0549 20.2405 TIMING: 627800 CPU: 2042.7, 0.00320904/step Wall: 2042.7, 0.00320904/step, 3.89737 hours remaining, 231.332031 MB of memory in use. ENERGY: 627800 3914.5866 20332.1745 14442.8523 245.6897 -203454.6003 2459.0786 0.0000 0.0000 51994.5330 -110065.6856 298.8133 -162060.2186 -109714.5810 298.7798 29.8000 56.8231 760215.6929 1.9697 1.7807 PRESSURE: 628000 323.247 -194.511 -23.3965 -194.511 196.542 4.15308 -23.3956 4.15276 472.224 GPRESSURE: 628000 346.188 -198.606 -55.1449 -245.327 236.478 -50.0648 -27.9254 10.6283 482.213 PRESSAVG: 628000 -6.06817 -1.39203 2.415 -1.39199 -0.107412 -5.99768 2.41498 -5.9977 7.95463 GPRESSAVG: 628000 -4.0537 -0.689006 4.20282 -0.937372 -1.26672 -5.8426 0.619327 -6.56217 7.96877 TIMING: 628000 CPU: 2043.34, 0.00323707/step Wall: 2043.34, 0.00323707/step, 3.93124 hours remaining, 231.332031 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: 628000 4012.6370 20333.8299 14443.3145 224.0777 -203961.0148 2787.4753 0.0000 0.0000 52085.0534 -110074.6270 299.3335 -162159.6805 -109694.7350 298.4022 330.6711 354.9597 758447.6626 0.5930 0.8828 PRESSURE: 628200 63.5474 -43.9992 180.834 -43.9985 -269.917 88.7906 180.834 88.7914 -276.061 GPRESSURE: 628200 26.1896 -34.4279 144.569 137.109 -142.626 116.633 107.495 0.972597 -282.327 PRESSAVG: 628200 17.3618 -78.6474 -16.2263 -78.6474 -8.20813 10.5455 -16.2262 10.5455 -2.77961 GPRESSAVG: 628200 15.9232 -79.7952 -16.5634 -78.4123 -6.41991 10.2081 -14.4285 10.6454 -2.58765 TIMING: 628200 CPU: 2043.99, 0.00323262/step Wall: 2043.99, 0.00323262/step, 3.92565 hours remaining, 231.332031 MB of memory in use. ENERGY: 628200 3863.6067 20620.1839 14475.4108 244.0448 -203403.1444 2524.1129 0.0000 0.0000 51763.9787 -109911.8067 297.4883 -161675.7853 -109555.0540 298.2345 -160.8099 -132.9212 759885.7486 2.1247 2.3052 LDB: ============= START OF LOAD BALANCING ============== 2056.42 LDB: ============== END OF LOAD BALANCING =============== 2056.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2056.42 LDB: ============= START OF LOAD BALANCING ============== 2056.75 LDB: Largest compute 7049 load 0.036175 is 18.6% of average load 0.194997 LDB: Average compute 0.004401 is 2.3% of average load 0.194997 LDB: TIME 2056.75 LOAD: AVG 0.194997 MAX 0.217588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.09 MB LDB: TIME 2056.75 LOAD: AVG 0.194997 MAX 0.217588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.16 MB LDB: TIME 2056.75 LOAD: AVG 0.194997 MAX 0.217588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.16 MB LDB: ============== END OF LOAD BALANCING =============== 2056.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2056.76 PRESSURE: 628400 85.0539 -90.2416 125.292 -90.2415 -148.317 -66.8656 125.293 -66.8656 -226.851 GPRESSURE: 628400 44.7691 -153.17 58.0779 -59.0785 -111.734 -74.2452 90.8908 -97.3798 -134.099 PRESSAVG: 628400 33.5603 -42.4364 -7.78729 -42.4364 -21.0916 37.9991 -7.78738 37.9991 7.60702 GPRESSAVG: 628400 33.2827 -40.4525 -9.23091 -42.9442 -21.7738 38.6109 -9.38585 38.7905 8.29264 TIMING: 628400 CPU: 2044.65, 0.00331698/step Wall: 2044.65, 0.00331698/step, 4.02792 hours remaining, 230.804688 MB of memory in use. ENERGY: 628400 4017.6416 20362.9034 14448.9589 222.2602 -203480.8135 2536.2319 0.0000 0.0000 51974.2333 -109918.5842 298.6966 -161892.8175 -109555.3667 298.4012 -96.7047 -67.0215 761602.2183 6.6919 6.6005 PRESSURE: 628600 -59.942 58.2252 -25.9289 58.2249 327.954 5.89379 -25.9292 5.89389 534.541 GPRESSURE: 628600 91.1198 65.2196 -29.7936 -29.3765 260.615 109.506 -4.45912 -117.826 535.535 PRESSAVG: 628600 -6.29778 -42.2811 -24.9755 -42.2811 21.2591 -16.1538 -24.9755 -16.1539 -39.6055 GPRESSAVG: 628600 -5.21232 -42.7327 -23.5836 -43.508 20.1126 -15.3131 -23.5964 -17.2211 -39.07 TIMING: 628600 CPU: 2045.29, 0.00320507/step Wall: 2045.29, 0.00320507/step, 3.89185 hours remaining, 230.804688 MB of memory in use. ENERGY: 628600 3968.2968 20466.2829 14450.0890 243.9386 -203702.9909 2961.1982 0.0000 0.0000 51768.2475 -109844.9378 297.5128 -161613.1853 -109495.1560 298.1102 267.5179 295.7568 761432.9989 -8.2147 -8.0566 PRESSURE: 628800 203.941 130.693 2.29221 130.693 16.1486 -51.1125 2.29208 -51.1122 376.376 GPRESSURE: 628800 196.713 56.4019 35.1662 203.197 90.4587 26.26 -28.3698 17.6618 376.816 PRESSAVG: 628800 38.5091 -78.4325 -10.3804 -78.4325 -49.8259 49.795 -10.3804 49.7951 6.2215 GPRESSAVG: 628800 39.0195 -80.8972 -11.2739 -76.3629 -49.5849 48.5506 -11.6567 51.9329 5.44144 TIMING: 628800 CPU: 2045.93, 0.00318945/step Wall: 2045.93, 0.00318945/step, 3.8727 hours remaining, 230.804688 MB of memory in use. ENERGY: 628800 4002.9399 20496.4494 14479.8646 219.9224 -203607.2418 2704.7119 0.0000 0.0000 51880.6624 -109822.6912 298.1589 -161703.3536 -109471.1438 298.3466 198.8220 221.3291 759314.6048 -1.6985 -1.7080 PRESSURE: 629000 110.961 13.1741 90.3544 13.1742 301.7 -77.6843 90.3539 -77.6824 -92.6853 GPRESSURE: 629000 160.764 -65.952 66.4479 65.6265 358.095 -111.17 37.8966 -120.924 -111.14 PRESSAVG: 629000 -7.618 -13.2144 -41.1931 -13.2144 -3.50653 2.59181 -41.1931 2.59188 11.6024 GPRESSAVG: 629000 -8.27208 -13.5015 -41.5177 -12.7975 -3.64153 3.20474 -41.1699 1.18439 12.2367 TIMING: 629000 CPU: 2046.57, 0.0031816/step Wall: 2046.57, 0.0031816/step, 3.86299 hours remaining, 230.804688 MB of memory in use. ENERGY: 629000 4030.3104 20520.4379 14539.7492 269.9285 -204187.5623 3255.1077 0.0000 0.0000 51789.5266 -109782.5020 297.6351 -161572.0286 -109437.0913 298.9781 106.6585 135.9063 759599.6591 0.1593 0.1077 PRESSURE: 629200 -49.8473 -164.869 165.19 -164.869 135.109 4.9173 165.19 4.91689 72.2582 GPRESSURE: 629200 30.8895 -165.942 45.7087 -168.327 181.838 71.1158 296.883 -140.631 51.2036 PRESSAVG: 629200 -17.3872 -20.4873 5.22622 -20.4874 -20.8486 -4.20802 5.22622 -4.20809 4.70001 GPRESSAVG: 629200 -17.5693 -17.5306 7.1558 -22.1571 -20.2114 -4.06393 7.07746 -4.71764 4.97169 TIMING: 629200 CPU: 2047.2, 0.00317606/step Wall: 2047.2, 0.00317606/step, 3.85609 hours remaining, 230.804688 MB of memory in use. ENERGY: 629200 3942.8754 20283.2348 14433.5851 238.1606 -203402.0435 2494.6105 0.0000 0.0000 52349.9312 -109659.6458 300.8558 -162009.5770 -109287.6590 298.9071 52.5067 87.9770 760041.3842 -11.1786 -10.9364 PRESSURE: 629400 -160.243 78.0278 -61.7649 78.028 -56.084 -101.861 -61.7649 -101.862 -233.239 GPRESSURE: 629400 -162.191 85.173 -65.6044 124.82 -63.4758 -155.932 -62.0671 93.1403 -159.383 PRESSAVG: 629400 -52.5001 -72.6623 28.0746 -72.6624 4.14106 -18.1945 28.0745 -18.1945 -7.79542 GPRESSAVG: 629400 -51.5156 -74.8817 25.8604 -71.7287 4.12253 -19.661 26.5035 -17.5992 -8.87037 TIMING: 629400 CPU: 2047.84, 0.00318713/step Wall: 2047.84, 0.00318713/step, 3.86935 hours remaining, 230.804688 MB of memory in use. ENERGY: 629400 4001.8014 20661.5250 14478.8475 246.8376 -203695.0538 2661.7140 0.0000 0.0000 51849.6571 -109794.6714 297.9807 -161644.3284 -109439.8434 299.0700 -149.8552 -128.3498 760230.2015 -18.7182 -18.7545 PRESSURE: 629600 509.779 -7.18407 -164.964 -7.18426 350.314 -61.2299 -164.964 -61.2304 155.139 GPRESSURE: 629600 479.679 -37.0244 -210.555 65.7491 402.494 38.592 -245.964 -136.477 211.689 PRESSAVG: 629600 -36.3993 -22.7789 -4.18713 -22.7788 8.54456 -23.4621 -4.18708 -23.4621 17.9678 GPRESSAVG: 629600 -36.7954 -22.4129 -3.26011 -23.159 8.47282 -20.6094 -5.25951 -23.9292 18.242 TIMING: 629600 CPU: 2048.48, 0.00320701/step Wall: 2048.48, 0.00320701/step, 3.89331 hours remaining, 230.804688 MB of memory in use. ENERGY: 629600 3943.7355 20479.3149 14465.5551 251.0508 -203672.8250 2701.7335 0.0000 0.0000 51977.6742 -109853.7610 298.7164 -161831.4352 -109487.2687 298.5457 338.4110 364.6206 758960.0407 -3.2956 -3.3602 PRESSURE: 629800 -159.076 -239.108 -102.741 -239.109 -484.548 77.2117 -102.741 77.2125 41.2382 GPRESSURE: 629800 -110.768 -257.994 -62.224 -192.542 -387.872 49.9379 -61.9029 30.5194 -20.559 PRESSAVG: 629800 8.31723 -14.8452 -37.3231 -14.8453 -6.47446 -8.12437 -37.3231 -8.12435 -3.6284 GPRESSAVG: 629800 7.99279 -14.6381 -37.0331 -15.4714 -6.81235 -10.7189 -36.2311 -7.51374 -3.20657 TIMING: 629800 CPU: 2049.13, 0.00322345/step Wall: 2049.13, 0.00322345/step, 3.91309 hours remaining, 230.804688 MB of memory in use. ENERGY: 629800 3962.8939 20353.7724 14416.3911 241.9617 -203166.9832 2138.7485 0.0000 0.0000 52050.0277 -110003.1879 299.1322 -162053.2157 -109645.0206 298.4412 -200.7952 -173.0661 759403.3680 -0.5952 -0.6754 PRESSURE: 630000 -3.30305 42.9282 320.625 42.9277 -38.196 140.089 320.624 140.088 -307.616 GPRESSURE: 630000 78.4303 -88.6157 322.972 -17.6425 -71.0388 219.313 313.299 90.3508 -283.18 PRESSAVG: 630000 -31.4307 -23.108 42.3271 -23.108 21.0988 4.78904 42.3271 4.78903 0.0182142 GPRESSAVG: 630000 -30.9755 -22.5659 42.3965 -21.0288 20.4675 6.67858 42.4746 4.27112 0.333609 TIMING: 630000 CPU: 2049.76, 0.00315369/step Wall: 2049.76, 0.00315369/step, 3.82823 hours remaining, 230.804688 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: 630000 4030.8112 20521.5045 14379.3549 268.5057 -203521.8476 2459.0119 0.0000 0.0000 51856.8576 -110005.8018 298.0221 -161862.6594 -109643.8908 298.0322 -116.3717 -91.9295 760166.2038 -3.4379 -3.3915 PRESSURE: 630200 -35.2631 57.3876 53.9079 57.387 -124.005 -151.927 53.907 -151.927 220.734 GPRESSURE: 630200 34.309 -6.71274 47.4154 57.8825 -119.635 -130.098 -10.7143 -223.097 222 PRESSAVG: 630200 22.9638 -18.2486 55.4306 -18.2486 4.17083 47.0317 55.4306 47.0317 -9.76332 GPRESSAVG: 630200 22.7179 -18.7215 54.6102 -18.4401 4.18372 46.6026 55.1885 46.3543 -9.47638 TIMING: 630200 CPU: 2050.39, 0.00318563/step Wall: 2050.39, 0.00318563/step, 3.86682 hours remaining, 230.804688 MB of memory in use. ENERGY: 630200 3954.7801 20494.6713 14492.0648 253.4651 -203531.0672 2538.2120 0.0000 0.0000 51726.7005 -110071.1733 297.2741 -161797.8738 -109719.4001 298.3960 20.4886 45.5580 758880.1503 5.7904 5.8084 PRESSURE: 630400 -247.056 -11.0785 -257.282 -11.0784 105.075 -60.5561 -257.282 -60.5549 110.625 GPRESSURE: 630400 -95.1483 6.12402 -276.107 51.6322 88.5623 -89.3832 -219.186 29.2651 86.6728 PRESSAVG: 630400 -53.3396 -22.5144 -11.0173 -22.5144 19.9396 23.9993 -11.0174 23.9994 -4.99569 GPRESSAVG: 630400 -54.1677 -23.14 -10.0736 -23.0961 21.3857 21.8561 -12.126 25.2554 -5.52525 TIMING: 630400 CPU: 2051.03, 0.00316217/step Wall: 2051.03, 0.00316217/step, 3.83818 hours remaining, 230.804688 MB of memory in use. ENERGY: 630400 4005.1516 20392.2120 14487.9023 233.9473 -203685.2863 2658.8040 0.0000 0.0000 52059.7595 -109847.5096 299.1882 -161907.2690 -109485.1523 297.4969 -10.4520 26.6956 760275.6721 -12.7986 -12.7691 PRESSURE: 630600 79.8089 -76.189 -111.902 -76.1893 22.9298 161.084 -111.902 161.084 77.9675 GPRESSURE: 630600 101.449 -78.0251 -159.373 -17.044 9.78174 147.75 5.71271 67.7336 145.966 PRESSAVG: 630600 -24.5811 -5.37958 -47.8799 -5.37963 13.3387 -9.11505 -47.88 -9.11509 16.4398 GPRESSAVG: 630600 -23.3162 -4.47562 -46.9467 -5.8752 12.2477 -7.56085 -46.709 -10.6807 16.0598 TIMING: 630600 CPU: 2051.66, 0.00315131/step Wall: 2051.66, 0.00315131/step, 3.82482 hours remaining, 230.804688 MB of memory in use. ENERGY: 630600 3929.4350 20506.3881 14524.3265 260.8151 -203175.6271 2159.5767 0.0000 0.0000 51682.9623 -110112.1234 297.0227 -161795.0857 -109753.2796 298.5703 60.2354 85.7322 758186.4034 1.7325 1.6638 PRESSURE: 630800 -53.5463 20.4699 141.108 20.4685 302.004 30.2744 141.107 30.2751 126.016 GPRESSURE: 630800 34.4934 -95.7825 222.336 49.5032 370.997 43.2938 182.376 -96.4705 52.1426 PRESSAVG: 630800 -3.76812 1.59212 0.670929 1.59211 -3.98345 31.1906 0.670881 31.1907 11.1321 GPRESSAVG: 630800 -4.56522 1.34724 -0.732116 1.67248 -4.18669 30.9829 1.13743 32.5934 11.9188 TIMING: 630800 CPU: 2052.29, 0.00318332/step Wall: 2052.29, 0.00318332/step, 3.86349 hours remaining, 230.804688 MB of memory in use. ENERGY: 630800 3988.6833 20247.6243 14576.5357 241.3732 -203392.0590 2396.7259 0.0000 0.0000 52000.5155 -109940.6010 298.8477 -161941.1166 -109572.4125 298.5388 124.8245 152.5444 759656.5881 1.1268 1.0556 PRESSURE: 631000 128.438 -224.663 -242.835 -224.663 -274.282 134.548 -242.835 134.547 -139.864 GPRESSURE: 631000 16.9368 -161.47 -280.728 -151.243 -167.44 226.785 -340.261 25.5221 -64.7772 PRESSAVG: 631000 -27.8266 -21.4667 -41.3757 -21.4667 5.44454 -37.7884 -41.3757 -37.7884 -5.00023 GPRESSAVG: 631000 -28.2927 -21.4636 -41.4443 -19.6464 6.64023 -36.1103 -41.5081 -40.8338 -5.56586 TIMING: 631000 CPU: 2052.93, 0.00316813/step Wall: 2052.93, 0.00316813/step, 3.84488 hours remaining, 230.804688 MB of memory in use. ENERGY: 631000 3976.7584 20520.6974 14563.1600 253.9963 -203442.2418 2299.9716 0.0000 0.0000 51890.6398 -109937.0183 298.2162 -161827.6581 -109578.7063 298.4227 -95.2362 -71.7603 760719.3515 -9.1274 -9.0728 PRESSURE: 631200 70.7999 -291.986 24.2432 -291.987 -87.1932 21.7887 24.2439 21.7906 194.159 GPRESSURE: 631200 111.314 -310.34 134.4 -166.08 -96.0078 1.39894 73.0974 96.5834 257.298 PRESSAVG: 631200 18.4266 -39.1473 -33.956 -39.1474 -11.252 -25.0828 -33.956 -25.0828 20.1847 GPRESSAVG: 631200 18.2568 -39.3066 -33.7009 -39.0771 -11.5295 -26.1801 -34.3321 -22.4063 20.814 TIMING: 631200 CPU: 2053.56, 0.00316769/step Wall: 2053.56, 0.00316769/step, 3.84416 hours remaining, 230.804688 MB of memory in use. ENERGY: 631200 3952.4691 20677.2029 14568.7244 231.9065 -203863.6294 2863.1674 0.0000 0.0000 51986.4944 -109583.6648 298.7671 -161570.1592 -109237.4768 298.7920 59.2551 90.8678 759231.3558 9.1197 9.1804 PRESSURE: 631400 240.704 45.0181 -88.069 45.0186 339.322 -258.648 -88.0695 -258.647 170.93 GPRESSURE: 631400 223.181 122.008 -37.0985 79.2515 358.169 -282.871 -6.96858 -185.163 259.815 PRESSAVG: 631400 -38.5888 -28.747 42.1608 -28.747 17.9922 -1.10095 42.1609 -1.10093 -11.5173 GPRESSAVG: 631400 -38.9622 -26.6105 42.3436 -28.8857 17.4457 -0.948089 43.5119 -0.82747 -10.6068 TIMING: 631400 CPU: 2054.2, 0.00317348/step Wall: 2054.2, 0.00317348/step, 3.85102 hours remaining, 230.804688 MB of memory in use. ENERGY: 631400 3990.8677 20516.6324 14574.6348 244.5687 -204056.7317 3098.9835 0.0000 0.0000 51975.6823 -109655.3623 298.7050 -161631.0447 -109302.7858 299.4076 250.3188 280.3885 758134.7037 -10.7046 -10.7078 PRESSURE: 631600 -32.5207 -103.342 163.787 -103.341 178.783 -206.725 163.787 -206.725 159.074 GPRESSURE: 631600 -102.276 -107.27 240.306 -78.7414 262.482 -77.3784 50.7254 -17.6858 223.584 PRESSAVG: 631600 -14.7289 -52.7069 32.1096 -52.7069 -9.60187 -19.5587 32.1096 -19.5588 4.48062 GPRESSAVG: 631600 -13.198 -55.1542 32.36 -55.1474 -8.88074 -18.3976 30.1579 -19.3071 2.26327 TIMING: 631600 CPU: 2054.82, 0.00314302/step Wall: 2054.82, 0.00314302/step, 3.81388 hours remaining, 230.804688 MB of memory in use. ENERGY: 631600 3988.4125 20606.5125 14495.5828 274.6308 -203730.6739 2847.5112 0.0000 0.0000 51848.9227 -109669.1014 297.9765 -161518.0241 -109304.6866 298.9285 101.7788 127.9303 760298.6342 -6.6167 -6.6051 PRESSURE: 631800 378.582 97.5987 17.3938 97.5977 -320.485 -88.356 17.3928 -88.3551 177.865 GPRESSURE: 631800 332.142 31.3742 -89.97 64.5815 -240.44 -100.773 120.649 -101.219 233.045 PRESSAVG: 631800 1.43702 9.89519 22.9721 9.89516 19.2755 29.8458 22.9721 29.8458 10.4343 GPRESSAVG: 631800 0.431245 10.2149 22.2048 10.1596 18.1173 28.8585 23.6302 27.3493 12.3864 TIMING: 631800 CPU: 2055.46, 0.00316765/step Wall: 2055.46, 0.00316765/step, 3.84359 hours remaining, 230.804688 MB of memory in use. ENERGY: 631800 3992.4759 20506.4506 14398.9744 257.9028 -203447.5246 2662.0026 0.0000 0.0000 51998.6773 -109631.0411 298.8371 -161629.7184 -109277.6068 298.8259 78.6542 108.2491 761329.9841 10.3823 10.3117 PRESSURE: 632000 -470.48 -34.6045 -23.3815 -34.6048 -120.56 171.939 -23.3825 171.938 -197.49 GPRESSURE: 632000 -371.368 -40.5309 -72.4637 -75.775 -128.489 120.559 38.3632 208.409 -206.386 PRESSAVG: 632000 31.5139 -35.5983 -23.0222 -35.5982 -28.9328 16.6907 -23.0222 16.6907 28.1178 GPRESSAVG: 632000 31.9591 -36.8671 -21.4621 -35.2837 -28.3232 15.958 -20.3118 19.3508 27.0784 TIMING: 632000 CPU: 2056.09, 0.00318057/step Wall: 2056.09, 0.00318057/step, 3.8591 hours remaining, 230.804688 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: 632000 4023.5547 20484.5362 14487.4651 237.3470 -203501.0990 2535.9949 0.0000 0.0000 52244.1039 -109488.0973 300.2476 -161732.2012 -109129.6205 299.2053 -262.8434 -235.4142 761497.7763 10.2330 10.2381 PRESSURE: 632200 -390.176 17.0368 -106.126 17.0367 -141.428 41.9914 -106.126 41.9904 -143.187 GPRESSURE: 632200 -306.436 -83.6167 -181.105 -94.2423 -199.359 108.955 -83.7001 23.1388 -119.207 PRESSAVG: 632200 28.085 -41.9575 -17.6368 -41.9575 7.83773 1.45728 -17.6369 1.45726 -9.19366 GPRESSAVG: 632200 27.7225 -41.3095 -19.6897 -40.663 7.45785 2.61509 -18.834 -1.67572 -9.05893 TIMING: 632200 CPU: 2056.73, 0.00319045/step Wall: 2056.73, 0.00319045/step, 3.8709 hours remaining, 230.804688 MB of memory in use. ENERGY: 632200 3968.8423 20631.7826 14522.3339 248.3307 -203022.9406 2284.5340 0.0000 0.0000 51938.9911 -109428.1261 298.4941 -161367.1172 -109057.1964 299.7078 -224.9303 -208.3338 760924.4257 8.9097 8.7071 LDB: ============= START OF LOAD BALANCING ============== 2069.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2069.16 LDB: =============== DONE WITH MIGRATION ================ 2069.16 LDB: ============= START OF LOAD BALANCING ============== 2069.48 LDB: Largest compute 7025 load 0.035349 is 18.1% of average load 0.194965 LDB: Average compute 0.004413 is 2.3% of average load 0.194965 LDB: TIME 2069.49 LOAD: AVG 0.194965 MAX 0.218593 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.086 MB LDB: TIME 2069.49 LOAD: AVG 0.194965 MAX 0.218593 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.156 MB LDB: TIME 2069.49 LOAD: AVG 0.194965 MAX 0.217261 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.156 MB LDB: ============== END OF LOAD BALANCING =============== 2069.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2069.49 PRESSURE: 632400 -203.853 -41.2435 14.0498 -41.2426 -13.3227 -269.732 14.0499 -269.732 -50.1325 GPRESSURE: 632400 -85.9246 -86.6057 19.5016 -20.8661 -28.9587 -231.747 -12.7911 -67.506 -59.1933 PRESSAVG: 632400 -17.3067 -76.9513 10.0187 -76.9512 2.23604 -27.5178 10.0187 -27.5177 16.3909 GPRESSAVG: 632400 -17.0817 -78.5456 11.3693 -76.424 2.64431 -28.0001 9.58589 -24.9885 16.2884 TIMING: 632400 CPU: 2057.39, 0.00327491/step Wall: 2057.39, 0.00327491/step, 3.97319 hours remaining, 231.125000 MB of memory in use. ENERGY: 632400 4006.5488 20520.6114 14447.5754 218.2733 -203206.3085 2340.6196 0.0000 0.0000 52199.7092 -109472.9708 299.9924 -161672.6800 -109109.1398 298.7969 -89.1026 -58.0255 761101.3748 0.4401 0.6170 PRESSURE: 632600 -338.965 -85.6062 131.062 -85.6065 -117.392 -124.143 131.062 -124.142 -261.401 GPRESSURE: 632600 -305.514 -99.8913 232.107 -35.4259 -71.3672 -155.396 124.577 -96.1021 -256.824 PRESSAVG: 632600 -25.3527 -14.7621 16.518 -14.762 19.7191 -20.4443 16.518 -20.4444 14.4723 GPRESSAVG: 632600 -24.5013 -10.6973 17.8882 -15.8217 18.6436 -21.7334 14.8836 -19.4202 15.4368 TIMING: 632600 CPU: 2058.02, 0.00316461/step Wall: 2058.02, 0.00316461/step, 3.8392 hours remaining, 231.250000 MB of memory in use. ENERGY: 632600 4013.0137 20672.1416 14525.6046 263.3642 -203044.9455 2228.9350 0.0000 0.0000 52028.2735 -109313.6130 299.0072 -161341.8865 -108948.6021 299.8985 -239.2525 -211.2350 760670.8689 2.9462 3.1930 PRESSURE: 632800 -26.5262 143.279 -26.8014 143.278 -92.7624 5.25224 -26.8016 5.25229 104.846 GPRESSURE: 632800 -43.0997 118.972 33.239 101.477 -71.705 -87.3934 21.1741 -126.953 204.349 PRESSAVG: 632800 32.0728 2.07282 -3.24795 2.07277 14.9301 7.79948 -3.24787 7.79957 3.18332 GPRESSAVG: 632800 33.0179 -1.27059 -3.24591 1.00181 14.1044 8.74811 -1.47586 5.69898 3.72069 TIMING: 632800 CPU: 2058.65, 0.00316309/step Wall: 2058.65, 0.00316309/step, 3.83718 hours remaining, 231.250000 MB of memory in use. ENERGY: 632800 4044.8016 20558.0698 14550.7032 252.2739 -203791.4137 2726.1809 0.0000 0.0000 52153.4555 -109505.9288 299.7266 -161659.3843 -109143.9335 299.7572 -4.8141 29.8480 759413.6475 16.7287 16.9476 PRESSURE: 633000 110.998 -251.369 -24.8906 -251.369 158.65 103.221 -24.8893 103.22 27.9248 GPRESSURE: 633000 140.435 -208.246 6.42854 -172.328 203.662 63.5318 53.4963 18.8389 65.7368 PRESSAVG: 633000 -48.9118 13.1772 48.899 13.1772 15.0372 -23.6233 48.8991 -23.6232 0.148483 GPRESSAVG: 633000 -49.4578 14.6916 47.5818 14.2577 16.794 -25.062 49.7485 -23.5728 -1.06492 TIMING: 633000 CPU: 2059.28, 0.00315899/step Wall: 2059.28, 0.00315898/step, 3.83202 hours remaining, 231.250000 MB of memory in use. ENERGY: 633000 3927.2640 20679.5859 14484.2099 259.5571 -203637.7286 2620.1746 0.0000 0.0000 51949.1036 -109717.8336 298.5522 -161666.9372 -109355.2523 299.5385 99.1908 136.6114 758019.0798 -11.2420 -11.2429 PRESSURE: 633200 -62.7426 74.3834 87.3199 74.3832 -332.093 -334.164 87.3207 -334.165 196.827 GPRESSURE: 633200 -12.354 2.80978 56.0011 100.176 -252.454 -329.56 54.2886 -152.996 145.367 PRESSAVG: 633200 31.8854 20.5224 -0.204326 20.5224 22.556 -23.1456 -0.204293 -23.1456 6.63926 GPRESSAVG: 633200 31.4942 17.5102 0.821506 21.7532 22.8957 -21.4972 -2.68845 -23.467 6.50074 TIMING: 633200 CPU: 2059.92, 0.00315859/step Wall: 2059.92, 0.00315859/step, 3.83137 hours remaining, 231.250000 MB of memory in use. ENERGY: 633200 3952.0139 20386.7060 14486.0898 243.3568 -203532.0989 2593.2123 0.0000 0.0000 52227.5661 -109643.1540 300.1525 -161870.7201 -109278.6593 299.4278 -66.0030 -39.8139 760231.9390 20.3602 20.2969 PRESSURE: 633400 113.194 -204.619 291.736 -204.62 425.477 -13.6073 291.736 -13.606 318.33 GPRESSURE: 633400 103.534 -179.66 228.324 -260.981 587.592 -40.1319 275.586 2.93218 249.419 PRESSAVG: 633400 4.1486 23.8226 -0.271481 23.8227 31.0784 -44.024 -0.271517 -44.0241 -12.695 GPRESSAVG: 633400 3.65007 26.7579 -1.59048 21.8298 30.8601 -45.1224 -0.296879 -43.0974 -12.1406 TIMING: 633400 CPU: 2060.55, 0.00316226/step Wall: 2060.55, 0.00316226/step, 3.83565 hours remaining, 231.250000 MB of memory in use. ENERGY: 633400 3941.7758 20731.4756 14495.4014 250.7106 -203551.0842 2618.7097 0.0000 0.0000 52064.9300 -109448.0811 299.2179 -161513.0111 -109100.2538 299.6294 285.6670 313.5151 761213.5355 7.5107 7.4565 PRESSURE: 633600 27.0674 -25.4021 102.629 -25.4016 -240.178 -52.8842 102.628 -52.8843 196.212 GPRESSURE: 633600 84.0703 -96.9526 141.63 -31.1047 -119.458 -92.8841 70.3072 -98.7378 121.607 PRESSAVG: 633600 -29.1232 -21.4844 34.3564 -21.4844 9.61943 -23.6509 34.3565 -23.651 15.9974 GPRESSAVG: 633600 -29.1226 -22.2437 34.866 -20.3183 9.89538 -24.5172 34.4945 -23.3146 15.8848 TIMING: 633600 CPU: 2061.18, 0.00315655/step Wall: 2061.18, 0.00315655/step, 3.82854 hours remaining, 231.250000 MB of memory in use. ENERGY: 633600 4048.8165 20437.6229 14472.6017 267.0405 -203322.9029 2344.2382 0.0000 0.0000 52025.6830 -109726.9002 298.9923 -161752.5831 -109361.4346 298.8240 -5.6331 28.7398 761057.3235 -1.1688 -1.1141 PRESSURE: 633800 329.536 -29.8487 -354.391 -29.8486 -19.4846 106.139 -354.39 106.14 -275.917 GPRESSURE: 633800 349.801 23.7401 -280.614 -23.3294 2.39018 137.471 -184.515 128.886 -247.214 PRESSAVG: 633800 39.0757 28.0598 34.569 28.0597 -24.816 -25.0928 34.569 -25.0928 -5.46371 GPRESSAVG: 633800 39.4215 27.7166 34.4756 29.2444 -26.2209 -23.2657 36.5258 -25.6712 -5.46213 TIMING: 633800 CPU: 2061.82, 0.00318354/step Wall: 2061.82, 0.00318354/step, 3.8611 hours remaining, 231.250000 MB of memory in use. ENERGY: 633800 3985.7561 20463.1803 14555.3373 234.2016 -203465.9817 2455.3227 0.0000 0.0000 51924.9295 -109847.2543 298.4133 -161772.1838 -109482.5759 298.9391 11.3781 34.9924 759006.0960 2.9320 2.5795 PRESSURE: 634000 -251.332 -150.945 175.07 -150.945 -228.047 12.9531 175.071 12.9526 -13.5609 GPRESSURE: 634000 -207.803 -169.002 138.322 -181.615 -224.371 21.6176 89.702 75.5863 28.8225 PRESSAVG: 634000 28.9495 -40.2648 15.9264 -40.2648 13.7274 -33.6778 15.9264 -33.6779 -5.58341 GPRESSAVG: 634000 28.1946 -39.5085 16.5153 -41.0431 13.1825 -33.228 13.5307 -34.2336 -4.90975 TIMING: 634000 CPU: 2062.45, 0.00317316/step Wall: 2062.45, 0.00317316/step, 3.84834 hours remaining, 231.250000 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: 634000 4053.2761 20559.4469 14465.6273 240.3290 -203576.4044 2612.5153 0.0000 0.0000 51955.9861 -109689.2237 298.5918 -161645.2098 -109331.0374 299.0292 -164.3135 -134.4505 760534.8643 12.3645 12.1558 PRESSURE: 634200 119.341 212.702 -39.601 212.703 -64.5626 -193.632 -39.6007 -193.633 -165.513 GPRESSURE: 634200 264.565 130.007 -13.2463 209.793 -119.608 -253.042 -10.219 -247.259 -159.751 PRESSAVG: 634200 6.13985 -33.7794 45.0368 -33.7793 1.95304 -23.4306 45.0368 -23.4307 3.18012 GPRESSAVG: 634200 5.89659 -33.5216 45.6006 -34.4919 2.91633 -24.7217 43.7178 -22.4409 2.04473 TIMING: 634200 CPU: 2063.08, 0.00315829/step Wall: 2063.08, 0.00315829/step, 3.83012 hours remaining, 231.250000 MB of memory in use. ENERGY: 634200 4039.7825 20540.0459 14453.7542 239.1099 -203525.9496 2667.0024 0.0000 0.0000 51832.3238 -109753.9311 297.8811 -161586.2549 -109400.8013 298.3998 -36.9115 -4.9313 760423.7993 3.7577 3.6192 PRESSURE: 634400 -24.2355 24.8695 -33.5049 24.8709 112.42 21.7129 -33.5052 21.7133 101.689 GPRESSURE: 634400 44.0089 14.9163 -63.7878 -4.31313 141.88 -64.982 -121.817 158.233 97.2358 PRESSAVG: 634400 18.4318 -3.77998 17.0531 -3.77987 18.93 -35.8764 17.0531 -35.8765 -2.65534 GPRESSAVG: 634400 18.3898 -5.09735 16.2557 -4.02951 18.3823 -34.8011 18.159 -36.6474 -2.4392 TIMING: 634400 CPU: 2063.72, 0.00317547/step Wall: 2063.72, 0.00317547/step, 3.85079 hours remaining, 231.250000 MB of memory in use. ENERGY: 634400 3973.0264 20550.7583 14507.6050 244.2828 -203704.4238 2622.4418 0.0000 0.0000 51910.8208 -109895.4885 298.3322 -161806.3094 -109533.9251 298.8321 63.2910 94.3748 758977.3651 11.5688 11.4443 PRESSURE: 634600 -174.56 -193.114 51.8698 -193.114 342.874 -147.537 51.8694 -147.537 -22.3054 GPRESSURE: 634600 -117.035 -115.545 16.1593 -118.127 282.79 -86.6384 203.842 -207.978 60.92 PRESSAVG: 634600 -89.1791 -19.4895 13.2909 -19.4895 58.9487 -17.5249 13.2909 -17.525 -9.73433 GPRESSAVG: 634600 -89.3187 -19.1081 12.6944 -17.9316 58.241 -18.6944 16.0864 -16.2788 -9.39776 TIMING: 634600 CPU: 2064.35, 0.00317095/step Wall: 2064.35, 0.00317095/step, 3.84513 hours remaining, 231.250000 MB of memory in use. ENERGY: 634600 4013.1423 20488.3464 14477.9014 242.3257 -203511.0038 2506.1477 0.0000 0.0000 52008.2940 -109774.8462 298.8924 -161783.1403 -109411.9955 298.5895 48.6695 75.5582 759496.8333 -13.3216 -13.4918 PRESSURE: 634800 91.7461 -268.429 -13.9451 -268.429 397.513 -151.438 -13.9449 -151.437 267.004 GPRESSURE: 634800 194.541 -199.41 22.4881 -116.512 395.843 -65.2403 -45.4051 -114.683 247.142 PRESSAVG: 634800 -44.6243 -66.6581 24.9239 -66.6582 36.6176 -23.8549 24.9239 -23.8549 9.80442 GPRESSAVG: 634800 -45.7335 -67.3217 24.7734 -67.7485 36.6223 -23.1093 22.2872 -24.1569 10.5831 TIMING: 634800 CPU: 2064.98, 0.00313032/step Wall: 2064.98, 0.00313032/step, 3.79568 hours remaining, 231.250000 MB of memory in use. ENERGY: 634800 3984.6339 20516.8845 14486.6427 260.3280 -203762.3545 2635.9229 0.0000 0.0000 51928.3201 -109949.6223 298.4328 -161877.9424 -109587.5418 298.3760 252.0876 279.1756 759884.3299 0.5993 0.4906 PRESSURE: 635000 -109.608 231.393 144.327 231.393 -19.2767 36.7487 144.328 36.749 36.6224 GPRESSURE: 635000 -44.9217 195.697 124.562 187.338 116.467 14.8 201.209 31.9727 -66.7415 PRESSAVG: 635000 0.463563 -41.0586 6.4539 -41.0585 32.9934 -68.904 6.45396 -68.904 7.94474 GPRESSAVG: 635000 0.513214 -42.4143 7.36404 -41.9553 34.6351 -70.3739 6.75734 -69.4869 5.95241 TIMING: 635000 CPU: 2065.6, 0.00312764/step Wall: 2065.6, 0.00312764/step, 3.79226 hours remaining, 231.250000 MB of memory in use. ENERGY: 635000 3966.5394 20518.3072 14447.7444 263.6991 -203726.0645 2454.1724 0.0000 0.0000 52103.0452 -109972.5566 299.4369 -162075.6018 -109612.1293 298.6071 -30.7541 1.6013 760979.2792 13.8006 13.7003 PRESSURE: 635200 -143.611 49.4286 76.5301 49.4287 62.537 54.9228 76.5302 54.9228 212.102 GPRESSURE: 635200 -133.606 -17.6218 49.1677 81.0698 66.9148 -30.6025 27.2913 -65.7221 272.188 PRESSAVG: 635200 -12.0758 76.9788 -0.0154713 76.9788 7.34607 -5.73508 -0.0154345 -5.73509 1.3892 GPRESSAVG: 635200 -11.8831 79.9815 0.602688 77.1561 6.28143 -4.96173 -0.734814 -5.34582 2.25899 TIMING: 635200 CPU: 2066.23, 0.00314217/step Wall: 2066.23, 0.00314217/step, 3.8097 hours remaining, 231.250000 MB of memory in use. ENERGY: 635200 4003.0853 20474.4430 14434.7785 254.1921 -203396.0651 2541.3067 0.0000 0.0000 51658.5321 -110029.7275 296.8823 -161688.2595 -109659.1043 298.0102 43.6758 68.4992 761181.9449 -1.1135 -1.1142 PRESSURE: 635400 -247.334 41.893 196.157 41.8921 -128.51 17.0328 196.157 17.0313 -278.62 GPRESSURE: 635400 -240.642 63.435 202.953 81.2102 -86.4112 -76.8427 110.806 50.3914 -221.783 PRESSAVG: 635400 -27.956 -11.5712 23.9517 -11.5712 -21.7168 -4.90894 23.9517 -4.90893 8.64292 GPRESSAVG: 635400 -27.8417 -12.6906 22.62 -11.3726 -22.0783 -4.56074 23.3731 -5.02651 9.52825 TIMING: 635400 CPU: 2066.86, 0.00315181/step Wall: 2066.86, 0.00315181/step, 3.82122 hours remaining, 231.250000 MB of memory in use. ENERGY: 635400 3964.2086 20468.0616 14420.2337 247.8214 -203360.3651 2326.8644 0.0000 0.0000 51833.1695 -110100.0059 297.8859 -161933.1754 -109735.3443 297.7084 -218.1546 -182.9454 760479.2210 -13.6766 -13.4639 PRESSURE: 635600 134.917 99.9369 -209.971 99.9372 112.552 -196.23 -209.971 -196.23 -148.577 GPRESSURE: 635600 214.893 -8.00507 -208.03 294.288 67.3941 -229.83 -267.522 -88.6012 -89.9482 PRESSAVG: 635600 16.5909 -57.7896 3.1158 -57.7896 -28.138 -5.15988 3.1158 -5.15994 9.15191 GPRESSAVG: 635600 15.4866 -58.7359 3.42118 -57.2501 -27.8705 -5.74371 5.89971 -4.55228 9.51073 TIMING: 635600 CPU: 2067.5, 0.00317587/step Wall: 2067.5, 0.00317587/step, 3.85021 hours remaining, 231.250000 MB of memory in use. ENERGY: 635600 3952.8654 20523.5678 14492.0083 236.1834 -203406.0422 2527.5633 0.0000 0.0000 51658.0729 -110015.7812 296.8797 -161673.8541 -109650.4982 298.1438 32.9637 64.1130 759750.7672 -0.7984 -0.9577 PRESSURE: 635800 207.783 -76.707 -44.2191 -76.7064 137.179 61.46 -44.2186 61.4602 47.7484 GPRESSURE: 635800 208.766 -4.84937 36.7457 -47.1625 146.367 4.68726 -173.141 35.452 119.719 PRESSAVG: 635800 -27.0328 -23.9218 -39.1586 -23.9217 41.0902 -34.3807 -39.1586 -34.3808 6.10879 GPRESSAVG: 635800 -26.434 -21.8967 -39.0329 -25.2208 40.7892 -33.2194 -42.2948 -35.4528 6.42611 TIMING: 635800 CPU: 2068.13, 0.00315684/step Wall: 2068.13, 0.00315684/step, 3.82697 hours remaining, 231.250000 MB of memory in use. ENERGY: 635800 3984.8288 20477.4978 14517.8319 229.2285 -203543.3329 2497.8813 0.0000 0.0000 51816.5630 -110019.5016 297.7905 -161836.0646 -109656.9924 298.5580 130.9034 158.2839 760875.3452 6.7221 6.9271 PRESSURE: 636000 131.411 59.1168 220.094 59.1169 -212.092 53.0105 220.094 53.0109 -74.5243 GPRESSURE: 636000 115.391 -15.9524 238.014 81.2942 -55.5572 70.4014 150.718 -20.877 -148.015 PRESSAVG: 636000 33.0705 -30.3903 30.8969 -30.3903 12.5543 66.2423 30.8968 66.2422 18.1848 GPRESSAVG: 636000 32.6093 -32.8819 30.0913 -28.9712 13.1545 66.9601 33.2474 66.8121 18.1383 TIMING: 636000 CPU: 2068.76, 0.00314355/step Wall: 2068.76, 0.00314355/step, 3.81068 hours remaining, 231.250000 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: 636000 3993.0460 20522.6264 14449.9771 245.4269 -203572.4996 2586.5026 0.0000 0.0000 51927.7647 -109847.1558 298.4296 -161774.9205 -109493.8157 298.6472 -51.7349 -29.3938 760986.3678 21.2699 21.3007 PRESSURE: 636200 121.051 -199.607 -49.4275 -199.607 -26.0714 -228.891 -49.4273 -228.891 132.672 GPRESSURE: 636200 152.589 -261.481 -128.922 -128.718 71.8069 -200.233 -34.7917 -208.318 96.8337 PRESSAVG: 636200 57.0402 -44.4935 34.6762 -44.4936 -16.6313 14.9406 34.6762 14.9406 -4.48497 GPRESSAVG: 636200 57.2504 -41.3179 35.4275 -45.4833 -15.776 13.2994 35.5174 15.02 -5.56389 TIMING: 636200 CPU: 2069.39, 0.00317283/step Wall: 2069.39, 0.00317283/step, 3.84599 hours remaining, 231.250000 MB of memory in use. ENERGY: 636200 4021.1356 20662.2315 14457.5861 238.9191 -203960.5631 2924.2630 0.0000 0.0000 52067.1362 -109589.2917 299.2305 -161656.4278 -109229.6633 298.8717 75.8840 107.0765 760272.3319 11.9746 11.9702 LDB: ============= START OF LOAD BALANCING ============== 2081.82 LDB: ============== END OF LOAD BALANCING =============== 2081.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2081.82 LDB: ============= START OF LOAD BALANCING ============== 2082.14 LDB: Largest compute 7049 load 0.035382 is 18.1% of average load 0.195055 LDB: Average compute 0.004404 is 2.3% of average load 0.195055 LDB: TIME 2082.14 LOAD: AVG 0.195055 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 2082.14 LOAD: AVG 0.195055 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.332 MB LDB: TIME 2082.14 LOAD: AVG 0.195055 MAX 0.210441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.332 MB LDB: ============== END OF LOAD BALANCING =============== 2082.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2082.15 PRESSURE: 636400 -181.588 37.4369 -92.5328 37.437 -182.982 498.864 -92.5334 498.865 -357.589 GPRESSURE: 636400 -132.689 89.2646 -96.6375 15.346 -144.835 381.766 -4.49085 525.937 -341.926 PRESSAVG: 636400 9.31554 -3.0153 36.3821 -3.01533 11.0042 48.0399 36.3821 48.0399 0.965772 GPRESSAVG: 636400 9.46528 -4.78767 36.2239 -2.39552 10.2088 49.2591 34.96 48.3887 1.78895 TIMING: 636400 CPU: 2070.04, 0.00325196/step Wall: 2070.04, 0.00325196/step, 3.94174 hours remaining, 231.585938 MB of memory in use. ENERGY: 636400 3950.3673 20695.2931 14461.6279 258.8292 -203375.6247 2327.6372 0.0000 0.0000 52019.4737 -109662.3962 298.9566 -161681.8700 -109300.3434 299.2471 -240.7196 -206.4833 760794.8967 7.0952 7.1543 PRESSURE: 636600 -14.3445 -62.0773 43.412 -62.0768 132.723 228.499 43.4115 228.499 -282.099 GPRESSURE: 636600 -17.9826 -52.3622 -3.29872 -36.8416 145.595 143.806 2.6369 363.166 -210.426 PRESSAVG: 636600 14.471 -14.3776 -33.9758 -14.3777 -7.58822 41.1062 -33.9758 41.1062 3.36231 GPRESSAVG: 636600 13.8095 -16.6551 -33.5611 -11.9834 -7.44092 40.2057 -34.0743 41.8494 3.62324 TIMING: 636600 CPU: 2070.68, 0.00316246/step Wall: 2070.68, 0.00316246/step, 3.83307 hours remaining, 231.855469 MB of memory in use. ENERGY: 636600 4022.8752 20498.8505 14473.8203 266.4695 -203504.5418 2653.9992 0.0000 0.0000 51767.6705 -109820.8566 297.5095 -161588.5272 -109464.8463 298.4995 -54.5735 -27.6045 760511.2439 3.4150 3.3306 PRESSURE: 636800 246.112 137.766 5.24958 137.765 141.351 203.126 5.24964 203.126 408.956 GPRESSURE: 636800 241.531 70.7257 10.2058 43.0514 235.513 148.648 77.4836 212.651 404.925 PRESSAVG: 636800 33.7979 26.8451 -10.0493 26.8452 -25.459 20.0693 -10.0493 20.0693 0.016618 GPRESSAVG: 636800 34.0833 29.522 -9.09448 24.0485 -25.5251 18.956 -12.1939 19.3913 -0.130748 TIMING: 636800 CPU: 2071.31, 0.00318943/step Wall: 2071.31, 0.00318942/step, 3.86558 hours remaining, 231.855469 MB of memory in use. ENERGY: 636800 3842.0441 20634.9357 14441.4358 236.3851 -203550.2075 2535.8557 0.0000 0.0000 52277.4633 -109582.0878 300.4393 -161859.5511 -109216.6836 298.8405 265.4733 293.9899 759515.2292 2.7852 2.8091 PRESSURE: 637000 21.3395 257.67 76.1673 257.67 149.648 -220.008 76.167 -220.008 43.2935 GPRESSURE: 637000 39.306 98.3614 140.439 193.358 180.881 -126.494 85.5754 -163.811 93.8518 PRESSAVG: 637000 -5.33431 -28.1096 17.1068 -28.1096 6.85656 -27.7388 17.1067 -27.7388 26.245 GPRESSAVG: 637000 -5.08826 -29.7657 17.6593 -28.7393 6.52622 -26.2004 20.6007 -29.2526 26.484 TIMING: 637000 CPU: 2071.95, 0.00319167/step Wall: 2071.95, 0.00319167/step, 3.86812 hours remaining, 231.855469 MB of memory in use. ENERGY: 637000 3923.9299 20528.9678 14572.5607 252.4024 -203596.3425 2735.1870 0.0000 0.0000 51933.7729 -109649.5217 298.4641 -161583.2947 -109291.1578 299.5712 71.4270 104.6795 759793.6350 9.2557 9.3073 PRESSURE: 637200 -83.9704 77.1112 -204.101 77.1101 -148.925 -18.1996 -204.101 -18.1996 -219.591 GPRESSURE: 637200 -122.987 186.458 -290.968 54.038 -32.7701 -41.6213 -160.786 95.6512 -198.539 PRESSAVG: 637200 -12.4186 7.4057 28.9623 7.40572 4.63716 -32.7677 28.9624 -32.7678 -21.8392 GPRESSAVG: 637200 -13.8762 9.80941 27.2384 8.44486 5.25422 -33.7406 28.7428 -33.4219 -21.3209 TIMING: 637200 CPU: 2072.59, 0.00320153/step Wall: 2072.59, 0.00320153/step, 3.8799 hours remaining, 231.855469 MB of memory in use. ENERGY: 637200 3976.9516 20590.1345 14408.0980 238.1148 -203632.5228 2536.9592 0.0000 0.0000 52025.9878 -109856.2769 298.9941 -161882.2647 -109499.2480 298.9826 -150.8288 -118.0987 759017.4234 -9.8735 -9.9810 PRESSURE: 637400 -308.132 61.0361 -0.981673 61.0359 -171.766 -26.3188 -0.982369 -26.3197 -43.2456 GPRESSURE: 637400 -159.732 43.8989 -12.8995 52.3535 -206.315 -36.3805 54.2543 -90.3777 -62.6185 PRESSAVG: 637400 -34.0339 -19.5257 46.9834 -19.5257 37.4145 -1.78947 46.9834 -1.7894 4.85658 GPRESSAVG: 637400 -33.4634 -21.3549 47.1069 -20.6771 37.6682 -0.520533 44.1456 0.960013 4.24649 TIMING: 637400 CPU: 2073.23, 0.0031677/step Wall: 2073.23, 0.0031677/step, 3.83872 hours remaining, 231.855469 MB of memory in use. ENERGY: 637400 3973.6594 20468.7115 14430.0828 236.3966 -203463.4478 2501.1799 0.0000 0.0000 52146.9235 -109706.4941 299.6891 -161853.4175 -109335.5644 298.6803 -174.3811 -142.8882 760308.9470 2.7457 2.8171 PRESSURE: 637600 232.423 54.6433 133.65 54.6429 290.086 -133.933 133.65 -133.932 437.137 GPRESSURE: 637600 209.257 116.152 83.1864 -31.6496 304.417 -137.999 198.108 -173.602 518.276 PRESSAVG: 637600 -13.9419 -59.3071 11.3298 -59.307 -0.241493 12.5445 11.3298 12.5446 -1.90786 GPRESSAVG: 637600 -12.6956 -61.2981 11.8851 -55.1402 -2.12634 11.2966 10.9277 12.9586 -0.96311 TIMING: 637600 CPU: 2073.86, 0.00319271/step Wall: 2073.86, 0.00319271/step, 3.86886 hours remaining, 231.855469 MB of memory in use. ENERGY: 637600 3939.6230 20484.2295 14461.4794 240.3318 -203696.5976 2820.1047 0.0000 0.0000 52173.7349 -109577.0942 299.8432 -161750.8292 -109213.6284 299.2492 319.8819 343.9834 759125.6974 -5.3638 -5.2617 PRESSURE: 637800 -81.824 -146.854 79.708 -146.855 234.927 -41.3404 79.7085 -41.3409 -216.582 GPRESSURE: 637800 -33.9197 -192.821 55.3833 -47.8004 200.309 2.41676 66.8136 -109.813 -157.511 PRESSAVG: 637800 -13.9286 -59.2535 17.5588 -59.2536 18.0886 -11.1019 17.5588 -11.1019 12.0281 GPRESSAVG: 637800 -15.1842 -57.431 18.2101 -62.4792 18.9105 -10.859 19.8168 -12.5838 12.3473 TIMING: 637800 CPU: 2074.5, 0.00318644/step Wall: 2074.5, 0.00318644/step, 3.86109 hours remaining, 231.855469 MB of memory in use. ENERGY: 637800 3947.9581 20420.0485 14408.3725 242.6152 -203086.9513 2277.9006 0.0000 0.0000 52029.8341 -109760.2223 299.0162 -161790.0564 -109396.2021 298.7078 -21.1599 2.9593 759345.4598 5.3960 5.3578 PRESSURE: 638000 -42.1463 183.928 58.4853 183.928 -165.127 -20.6909 58.4864 -20.6928 34.1863 GPRESSURE: 638000 -28.5203 14.9555 -0.189387 91.2217 -115.458 -22.0331 -52.4932 71.6749 34.2456 PRESSAVG: 638000 -24.7783 -57.378 -13.5527 -57.378 32.0499 -25.2199 -13.5527 -25.22 -10.3599 GPRESSAVG: 638000 -25.0907 -57.043 -14.5731 -55.5723 31.8849 -24.9226 -15.6219 -25.6329 -10.6278 TIMING: 638000 CPU: 2075.13, 0.00315536/step Wall: 2075.13, 0.00315536/step, 3.82325 hours remaining, 231.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 638000 3936.0466 20362.4334 14470.0888 233.0885 -203507.6816 2582.2608 0.0000 0.0000 52139.4718 -109784.2916 299.6463 -161923.7635 -109415.8207 298.9724 -57.6956 -36.5775 759957.4681 -1.0294 -1.2779 PRESSURE: 638200 126.676 130.024 24.503 130.023 -26.2288 50.3558 24.5025 50.3551 -92.0215 GPRESSURE: 638200 119.855 -77.3056 -24.3325 134.81 44.354 143.35 49.7192 -55.5203 -80.1901 PRESSAVG: 638200 -32.5551 -29.2215 -57.0269 -29.2215 22.4613 -22.0842 -57.027 -22.0843 -28.8311 GPRESSAVG: 638200 -33.6866 -31.1204 -56.2742 -29.907 23.3783 -19.4789 -56.631 -23.5826 -28.3309 TIMING: 638200 CPU: 2075.76, 0.00315002/step Wall: 2075.76, 0.00315002/step, 3.81659 hours remaining, 231.855469 MB of memory in use. ENERGY: 638200 4039.4706 20459.5707 14497.1005 274.3835 -203604.1916 2601.6580 0.0000 0.0000 52130.3356 -109601.6728 299.5938 -161732.0083 -109236.9521 298.9996 2.8087 28.0063 760364.0772 -12.9750 -12.8797 PRESSURE: 638400 -48.3477 115.557 16.8102 115.556 21.9789 65.7383 16.8104 65.7394 -6.75435 GPRESSURE: 638400 83.0137 10.0135 -99.1582 209.607 8.23317 16.8766 -122.67 146.333 -22.9541 PRESSAVG: 638400 -22.3783 27.0859 -16.2718 27.0858 18.0866 -10.7464 -16.2717 -10.7464 -2.97002 GPRESSAVG: 638400 -20.772 31.5341 -18.0693 26.9058 17.8372 -12.7825 -13.4964 -10.4194 -3.38527 TIMING: 638400 CPU: 2076.39, 0.00314785/step Wall: 2076.39, 0.00314785/step, 3.81379 hours remaining, 231.855469 MB of memory in use. ENERGY: 638400 3964.4189 20571.9005 14471.4053 242.2767 -203448.4195 2372.9109 0.0000 0.0000 52204.1958 -109621.3115 300.0182 -161825.5073 -109254.8150 299.1726 -11.0411 22.7642 760999.6244 -2.4206 -2.1067 PRESSURE: 638600 144.707 -150.103 -184.64 -150.102 -114.793 -245.559 -184.639 -245.558 -238.229 GPRESSURE: 638600 231.767 -85.8744 -136.351 -118.295 -134.763 -229.379 -135.577 -164.467 -232.065 PRESSAVG: 638600 -38.2757 -9.92342 -35.8299 -9.9234 10.3705 -27.6771 -35.8299 -27.677 -14.8377 GPRESSAVG: 638600 -37.8189 -12.3175 -35.985 -10.6789 9.81729 -27.2851 -37.1918 -25.7968 -14.9076 TIMING: 638600 CPU: 2077.02, 0.00316436/step Wall: 2077.02, 0.00316436/step, 3.83362 hours remaining, 231.855469 MB of memory in use. ENERGY: 638600 4041.6749 20695.3579 14489.5465 251.7605 -203699.9057 2780.7937 0.0000 0.0000 52098.1882 -109342.5841 299.4090 -161440.7722 -108987.4437 299.3591 -69.4384 -45.0208 760702.5318 -14.2477 -14.3030 PRESSURE: 638800 -28.8684 -177.373 -225.262 -177.372 -229.307 -80.8837 -225.262 -80.8831 -106.823 GPRESSURE: 638800 -69.6159 -87.1416 -280.864 -290.497 -106.141 -55.502 -244.846 -152.193 -91.6133 PRESSAVG: 638800 7.88205 0.647069 -22.934 0.647055 0.60625 -44.1919 -22.9341 -44.192 -9.33661 GPRESSAVG: 638800 8.79629 0.880225 -22.8779 -0.8913 0.923159 -44.3623 -23.7946 -45.1692 -9.85255 TIMING: 638800 CPU: 2077.66, 0.00319651/step Wall: 2077.66, 0.00319651/step, 3.8724 hours remaining, 231.855469 MB of memory in use. ENERGY: 638800 3989.0957 20702.0035 14488.6322 244.1112 -203502.0755 2600.9573 0.0000 0.0000 52253.5592 -109223.7164 300.3019 -161477.2756 -108851.1488 299.9744 -121.6660 -89.1235 759483.5601 -0.2828 -0.0444 PRESSURE: 639000 -72.7352 -382.388 -116.541 -382.388 -266.087 -116.281 -116.541 -116.281 -494.124 GPRESSURE: 639000 -120.41 -365.484 -103.599 -174.633 -212.902 -98.9297 -94.3627 -218.902 -426.74 PRESSAVG: 639000 -25.7874 25.0536 -26.4777 25.0535 82.948 -54.7412 -26.4776 -54.7413 -11.3976 GPRESSAVG: 639000 -25.8276 26.1885 -27.6652 26.7844 82.5906 -57.6305 -24.8818 -54.0347 -11.4076 TIMING: 639000 CPU: 2078.3, 0.00318212/step Wall: 2078.3, 0.00318212/step, 3.85478 hours remaining, 231.855469 MB of memory in use. ENERGY: 639000 3985.9694 20703.8794 14493.3657 256.3784 -203032.1849 2340.8001 0.0000 0.0000 52018.2493 -109233.5426 298.9496 -161251.7919 -108876.8195 299.9212 -277.6486 -253.3505 761467.5356 15.2543 15.1185 PRESSURE: 639200 -105.233 98.843 60.8795 98.8428 -27.7157 -10.659 60.8784 -10.6588 372.373 GPRESSURE: 639200 -60.8307 27.3392 172.658 15.3263 21.7162 11.0176 28.5212 100.044 369.87 PRESSAVG: 639200 -56.0611 -24.7895 -42.3922 -24.7894 0.404756 -51.8097 -42.3922 -51.8096 4.29903 GPRESSAVG: 639200 -58.4142 -22.9301 -40.2455 -26.0307 2.26801 -50.4812 -44.2449 -50.6695 4.2922 TIMING: 639200 CPU: 2078.93, 0.00317064/step Wall: 2078.93, 0.00317064/step, 3.8407 hours remaining, 231.855469 MB of memory in use. ENERGY: 639200 4032.7196 20572.7565 14506.6303 251.3973 -203073.2790 2565.0984 0.0000 0.0000 51945.3644 -109199.3124 298.5307 -161144.6768 -108842.0186 299.6957 79.8081 110.2517 760976.3465 -17.1191 -17.2847 PRESSURE: 639400 -201.222 -1.13864 124.61 -1.13922 -381.299 123.566 124.611 123.567 -171.656 GPRESSURE: 639400 -193.139 29.3046 71.1947 -33.8549 -327.396 172.96 145.598 37.3419 -139.91 PRESSAVG: 639400 3.96108 -53.0891 -30.797 -53.0891 -12.582 6.20953 -30.797 6.20948 -0.951581 GPRESSAVG: 639400 5.69413 -57.4876 -32.3598 -50.3385 -14.8726 7.28525 -31.3079 5.52602 -0.321214 TIMING: 639400 CPU: 2079.57, 0.00317743/step Wall: 2079.57, 0.00317743/step, 3.84875 hours remaining, 231.855469 MB of memory in use. ENERGY: 639400 3958.1261 20722.0781 14516.6807 229.5861 -203557.2236 2692.3385 0.0000 0.0000 51915.5703 -109522.8438 298.3595 -161438.4141 -109162.7249 299.5767 -251.3924 -220.1483 760645.4104 -3.1908 -3.1666 PRESSURE: 639600 53.1702 12.9549 24.9829 12.9558 61.768 -76.5482 24.9834 -76.5473 -6.79854 GPRESSURE: 639600 88.2332 -126.921 -4.28342 -34.6749 145.975 -118.141 71.2872 -119.308 -58.1169 PRESSAVG: 639600 23.8678 -77.6888 -12.666 -77.6888 -15.3498 24.6026 -12.666 24.6026 -16.5917 GPRESSAVG: 639600 23.1351 -75.4524 -13.5176 -79.7043 -15.0901 25.392 -12.4799 22.2179 -16.4773 TIMING: 639600 CPU: 2080.2, 0.00316854/step Wall: 2080.2, 0.00316854/step, 3.8378 hours remaining, 231.855469 MB of memory in use. ENERGY: 639600 4017.9749 20530.1427 14488.0163 232.7951 -203566.3449 2687.0354 0.0000 0.0000 52277.0939 -109333.2866 300.4372 -161610.3805 -108963.7573 299.4954 36.0465 58.6970 761119.3131 -2.6912 -2.8108 PRESSURE: 639800 42.062 91.221 -29.7394 91.221 73.6218 -63.7594 -29.7385 -63.7597 -371.368 GPRESSURE: 639800 4.45549 75.516 -15.4495 32.832 105.247 -23.3741 -37.8388 -55.3198 -294.266 PRESSAVG: 639800 13.0634 -18.2538 1.66799 -18.2538 -3.34324 -15.9335 1.66808 -15.9335 -39.2915 GPRESSAVG: 639800 11.9549 -18.6112 2.81952 -18.629 -2.65494 -16.5567 1.62543 -12.6236 -39.4339 TIMING: 639800 CPU: 2080.84, 0.00316326/step Wall: 2080.84, 0.00316326/step, 3.83124 hours remaining, 232.058594 MB of memory in use. ENERGY: 639800 3942.8640 20632.3968 14552.4130 254.3947 -203658.3841 2853.5259 0.0000 0.0000 51894.4119 -109528.3780 298.2379 -161422.7898 -109166.6285 299.7671 -85.2279 -61.5210 761928.4100 -9.8571 -10.0447 PRESSURE: 640000 -93.864 19.1677 -68.6393 19.1681 66.5979 -21.7437 -68.64 -21.7434 -157.41 GPRESSURE: 640000 -34.1565 49.9161 -13.6814 -120.362 55.7778 -47.6273 -71.8155 81.4992 -136.09 PRESSAVG: 640000 11.5875 14.1157 -1.85749 14.1157 26.6686 -9.19355 -1.8575 -9.19361 -8.90847 GPRESSAVG: 640000 11.9859 14.0717 -2.10654 15.7007 26.2645 -8.9124 -0.770206 -11.7554 -8.46603 TIMING: 640000 CPU: 2081.47, 0.00315414/step Wall: 2081.47, 0.00315414/step, 3.82002 hours remaining, 232.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 640000 3994.6901 20513.9097 14540.0118 262.5642 -203764.6328 2870.5399 0.0000 0.0000 52135.4898 -109447.4272 299.6234 -161582.9170 -109094.5131 299.4067 -61.5586 -38.1562 761836.9695 9.7825 9.9281 PRESSURE: 640200 326.24 141.056 9.31141 141.058 -207.541 59.9172 9.31207 59.9156 176.361 GPRESSURE: 640200 342.041 104.502 1.29234 112.143 -157.768 94.2247 65.8019 3.80287 182.805 PRESSAVG: 640200 8.60898 20.7267 0.608098 20.7267 -55.6742 13.8789 0.608104 13.8789 -0.273391 GPRESSAVG: 640200 7.65185 19.6667 0.466138 21.0523 -54.1168 13.5536 0.631819 16.7824 -0.379686 TIMING: 640200 CPU: 2082.1, 0.00314941/step Wall: 2082.1, 0.00314941/step, 3.81411 hours remaining, 232.058594 MB of memory in use. ENERGY: 640200 4055.1395 20574.1282 14481.2178 222.9181 -203922.8425 2927.3397 0.0000 0.0000 52146.6107 -109515.4886 299.6873 -161662.0993 -109157.3598 299.1030 98.3533 122.3593 761586.5634 -15.7796 -15.6149 LDB: ============= START OF LOAD BALANCING ============== 2094.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2094.52 LDB: =============== DONE WITH MIGRATION ================ 2094.52 LDB: ============= START OF LOAD BALANCING ============== 2094.84 LDB: Largest compute 7025 load 0.039349 is 20.2% of average load 0.195090 LDB: Average compute 0.004414 is 2.3% of average load 0.195090 LDB: TIME 2094.85 LOAD: AVG 0.19509 MAX 0.212411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 2094.85 LOAD: AVG 0.19509 MAX 0.212411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: TIME 2094.85 LOAD: AVG 0.19509 MAX 0.212411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: ============== END OF LOAD BALANCING =============== 2094.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2094.85 PRESSURE: 640400 4.056 -78.3906 34.3329 -78.3904 -77.8404 -137.131 34.3326 -137.132 -149.138 GPRESSURE: 640400 -59.8193 47.646 24.6691 -84.4691 -0.233076 -134.385 -20.1364 -193.778 -73.7618 PRESSAVG: 640400 33.1644 -49.145 -10.4179 -49.145 -24.3188 -10.1574 -10.4179 -10.1574 -11.5114 GPRESSAVG: 640400 34.4676 -46.3847 -9.19568 -51.4323 -26.4272 -8.94834 -10.1377 -12.76 -11.1053 TIMING: 640400 CPU: 2082.75, 0.00324988/step Wall: 2082.75, 0.00324988/step, 3.93561 hours remaining, 231.578125 MB of memory in use. ENERGY: 640400 3994.5593 20540.1013 14459.6919 243.8956 -203812.5151 2873.5132 0.0000 0.0000 52042.2719 -109658.4819 299.0877 -161700.7538 -109294.9276 299.1043 -74.3074 -44.6047 762798.5391 -0.8886 -1.0217 PRESSURE: 640600 -85.7348 -177.666 41.4227 -177.666 -168.907 52.7512 41.4227 52.7498 196.093 GPRESSURE: 640600 -68.8592 -62.9578 61.0045 -169.719 -150.59 53.625 -53.6631 128.086 247.684 PRESSAVG: 640600 -49.6855 -77.6076 50.8478 -77.6076 12.5377 16.1609 50.8478 16.1608 7.37049 GPRESSAVG: 640600 -49.7328 -77.958 50.0032 -77.4993 13.0758 14.1971 50.3204 15.8234 6.4653 TIMING: 640600 CPU: 2083.38, 0.00315659/step Wall: 2083.38, 0.00315659/step, 3.82245 hours remaining, 231.781250 MB of memory in use. ENERGY: 640600 4068.2565 20404.9476 14503.0291 248.4882 -203818.3668 2885.3104 0.0000 0.0000 52182.9018 -109525.4332 299.8959 -161708.3350 -109179.3595 299.3071 -19.5163 9.4114 762275.9680 -9.9258 -10.0639 PRESSURE: 640800 -80.0764 -41.9522 -199.509 -41.9515 -323.197 -199.011 -199.509 -199.012 141.03 GPRESSURE: 640800 -48.781 -105.449 -172.965 -68.5641 -260.637 -127.724 -175.508 -203.281 120.037 PRESSAVG: 640800 28.8499 -44.9043 -9.18837 -44.9043 -29.2511 16.2677 -9.18841 16.2678 22.0518 GPRESSAVG: 640800 28.5642 -47.5416 -10.1139 -44.1739 -28.9644 17.6545 -7.38948 17.8841 22.6696 TIMING: 640800 CPU: 2084.01, 0.00314484/step Wall: 2084.01, 0.00314484/step, 3.80805 hours remaining, 231.781250 MB of memory in use. ENERGY: 640800 3897.3188 20651.4945 14531.6785 234.3032 -203203.3651 2225.4892 0.0000 0.0000 51983.0550 -109680.0258 298.7473 -161663.0808 -109328.1209 299.2327 -87.4147 -63.1271 761336.2852 7.2169 7.4231 PRESSURE: 641000 150.037 343.706 19.6332 343.706 144.182 198.607 19.633 198.607 -331.165 GPRESSURE: 641000 99.0482 409.061 42.7153 246.771 158.139 153.851 -34.5434 155.645 -231.603 PRESSAVG: 641000 -26.9078 -28.0174 -29.8852 -28.0175 51.5639 62.4571 -29.8852 62.457 -13.2002 GPRESSAVG: 641000 -27.0382 -26.4419 -30.3374 -26.7758 51.2747 61.9241 -32.2609 60.5473 -13.4511 TIMING: 641000 CPU: 2084.63, 0.00313747/step Wall: 2084.63, 0.00313747/step, 3.79895 hours remaining, 231.781250 MB of memory in use. ENERGY: 641000 3982.1284 20577.8877 14556.2610 252.0604 -203664.3104 2521.9889 0.0000 0.0000 52100.3309 -109673.6531 299.4213 -161773.9841 -109311.4291 299.0794 -12.3153 8.5284 761682.8155 3.8186 3.5951 PRESSURE: 641200 -381.661 145.25 -143.804 145.251 194.356 -2.87747 -143.804 -2.87773 331.741 GPRESSURE: 641200 -347.099 125.713 -125.67 120.181 219.412 -3.86929 -121.443 -4.74953 355.611 PRESSAVG: 641200 -28.1604 -18.4301 -18.3884 -18.4301 5.08538 -0.810921 -18.3884 -0.810893 41.0736 GPRESSAVG: 641200 -28.1657 -17.257 -17.1574 -19.1573 5.47876 -1.5434 -15.5707 0.445472 41.4676 TIMING: 641200 CPU: 2085.26, 0.00314898/step Wall: 2085.26, 0.00314897/step, 3.81271 hours remaining, 231.781250 MB of memory in use. ENERGY: 641200 3992.4439 20288.0244 14489.3764 226.2253 -203961.5492 2945.6968 0.0000 0.0000 52308.0937 -109711.6888 300.6153 -162019.7824 -109339.9610 299.1262 48.1451 75.9747 759978.9402 5.9995 6.2602 PRESSURE: 641400 -374.288 -180.763 -89.189 -180.764 -342.194 -52.7237 -89.1884 -52.7236 -2.1816 GPRESSURE: 641400 -335.555 -191.515 -16.4887 -249.826 -318.395 -130.384 -32.6733 27.2371 9.77698 PRESSAVG: 641400 -16.3879 9.05138 -30.7675 9.05132 27.5689 -5.62753 -30.7675 -5.62757 4.91535 GPRESSAVG: 641400 -14.74 7.78155 -31.6424 11.1751 26.8561 -6.22973 -33.3917 -5.48102 3.8688 TIMING: 641400 CPU: 2085.89, 0.00314814/step Wall: 2085.89, 0.00314814/step, 3.81152 hours remaining, 231.781250 MB of memory in use. ENERGY: 641400 3979.0483 20470.3666 14592.0252 231.2561 -203127.9652 2335.5598 0.0000 0.0000 51979.3608 -109540.3485 298.7261 -161519.7093 -109175.0069 299.2234 -239.5546 -214.7245 762360.1295 5.3655 5.3283 PRESSURE: 641600 248.872 141.685 -51.9569 141.685 201.428 -41.0811 -51.9569 -41.0811 -12.5771 GPRESSURE: 641600 223.76 109.413 -97.9887 135.706 258.373 2.22084 57.1373 -21.7811 38.4127 PRESSAVG: 641600 8.76284 -11.5557 -14.3487 -11.5556 21.7688 -13.8852 -14.3487 -13.8851 6.47934 GPRESSAVG: 641600 6.98791 -11.3451 -14.4719 -13.6082 22.6042 -12.6303 -14.9235 -15.0704 7.72193 TIMING: 641600 CPU: 2086.53, 0.00319056/step Wall: 2086.53, 0.00319056/step, 3.86271 hours remaining, 231.781250 MB of memory in use. ENERGY: 641600 3913.1750 20502.1792 14482.4339 236.2951 -203511.6331 2534.2266 0.0000 0.0000 52066.3564 -109776.9670 299.2261 -161843.3233 -109407.4927 299.0828 145.9076 173.5155 760764.2660 12.3370 12.4380 PRESSURE: 641800 92.6268 292.126 74.1063 292.125 86.9709 193.852 74.106 193.851 292.333 GPRESSURE: 641800 69.9089 296.979 -12.9508 199.311 173.319 113.748 86.176 193.962 333.61 PRESSAVG: 641800 1.33555 14.0379 -37.1689 14.038 -19.013 -30.2436 -37.1689 -30.2437 -2.10258 GPRESSAVG: 641800 1.54679 16.2306 -37.1534 12.7682 -19.1918 -31.8062 -37.3533 -27.551 -2.20362 TIMING: 641800 CPU: 2087.17, 0.00317832/step Wall: 2087.17, 0.00317832/step, 3.84771 hours remaining, 231.781250 MB of memory in use. ENERGY: 641800 3947.4942 20415.9839 14506.0325 254.4600 -203505.4360 2779.6356 0.0000 0.0000 51839.1326 -109762.6971 297.9202 -161601.8297 -109395.9584 298.7816 157.3102 192.2794 760768.9985 -6.5933 -6.6162 PRESSURE: 642000 192.467 -24.9486 40.5059 -24.9488 594.973 124.001 40.506 124.002 546.675 GPRESSURE: 642000 225.582 4.53477 56.9481 116.466 655.939 179.557 67.9971 73.3678 534.375 PRESSAVG: 642000 -9.36273 -12.7369 -24.7488 -12.737 -15.6012 -41.2518 -24.7487 -41.2518 1.99031 GPRESSAVG: 642000 -8.8681 -13.4496 -24.8797 -11.8248 -15.6727 -39.9515 -23.1635 -43.1796 1.62133 TIMING: 642000 CPU: 2087.8, 0.00314393/step Wall: 2087.8, 0.00314393/step, 3.80591 hours remaining, 231.781250 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: 642000 3927.3883 20566.7248 14433.0680 239.2482 -203542.1855 2780.8258 0.0000 0.0000 51947.4576 -109647.4728 298.5428 -161594.9305 -109293.8508 298.2433 444.7052 471.9655 761332.4678 -7.6579 -7.6398 PRESSURE: 642200 -15.5326 -68.582 3.19105 -68.5827 -67.7743 -17.5995 3.19168 -17.6001 166.763 GPRESSURE: 642200 5.79189 -60.9861 16.3661 -168.241 49.5593 43.3643 -19.707 -44.9843 125.334 PRESSAVG: 642200 -46.2776 21.603 -14.0282 21.6029 53.193 -16.6342 -14.0282 -16.6343 5.32797 GPRESSAVG: 642200 -46.0462 20.5404 -12.8788 21.6541 53.3231 -15.3801 -15.6441 -17.6305 4.97152 TIMING: 642200 CPU: 2088.43, 0.00316738/step Wall: 2088.43, 0.00316738/step, 3.83411 hours remaining, 231.781250 MB of memory in use. ENERGY: 642200 3958.7712 20433.5131 14557.4756 254.5726 -203433.2047 2612.0060 0.0000 0.0000 52114.5267 -109502.3395 299.5029 -161616.8662 -109129.2562 299.1137 27.8189 60.2284 760192.2957 4.0811 4.0828 PRESSURE: 642400 -31.66 -72.7088 -41.4417 -72.7087 30.8639 -47.8268 -41.4421 -47.8257 -37.3087 GPRESSURE: 642400 69.5289 -139.668 -2.72837 -130.947 -11.2194 51.5515 33.9251 -140.562 -12.8091 PRESSAVG: 642400 6.12386 24.0166 -0.613669 24.0165 28.7591 29.4125 -0.613739 29.4126 -5.46423 GPRESSAVG: 642400 6.8413 23.1628 0.273652 23.8448 27.7981 28.3335 -1.82689 31.982 -5.25869 TIMING: 642400 CPU: 2089.07, 0.00318156/step Wall: 2089.07, 0.00318156/step, 3.8511 hours remaining, 231.781250 MB of memory in use. ENERGY: 642400 4012.5688 20529.5822 14496.5405 274.9383 -203281.1427 2543.9158 0.0000 0.0000 51994.0181 -109429.5789 298.8103 -161423.5970 -109075.0717 299.5011 -12.7016 15.1668 761121.7137 9.8062 9.7936 PRESSURE: 642600 363.58 156.49 -190.548 156.49 37.8576 -17.2031 -190.548 -17.203 -117.48 GPRESSURE: 642600 349.18 189.707 -211.251 181.563 129.881 116.109 -171.614 -259.144 -90.7764 PRESSAVG: 642600 -9.42262 24.8212 -11.0603 24.8211 -22.5653 -6.73693 -11.0603 -6.73692 19.8008 GPRESSAVG: 642600 -9.69298 27.8709 -13.8037 25.3164 -22.0982 -5.38683 -8.47367 -8.56148 19.7023 TIMING: 642600 CPU: 2089.7, 0.00317956/step Wall: 2089.7, 0.00317956/step, 3.84851 hours remaining, 231.781250 MB of memory in use. ENERGY: 642600 3932.1712 20546.7647 14525.2972 241.5140 -203014.4537 2443.4446 0.0000 0.0000 51985.4873 -109339.7746 298.7613 -161325.2619 -108981.9855 299.7504 94.6525 129.4280 759594.4848 -4.0624 -4.0296 PRESSURE: 642800 288.237 -145.966 -10.6644 -145.964 368.115 -46.8819 -10.6642 -46.8822 -127.352 GPRESSURE: 642800 362.252 -208.756 3.06294 -57.3555 380.764 -75.0007 8.42357 -85.6856 -129.212 PRESSAVG: 642800 32.6043 41.5925 -10.5921 41.5925 28.4286 1.31268 -10.5921 1.31267 25.2185 GPRESSAVG: 642800 32.957 40.0674 -10.1761 42.2419 28.5248 0.226588 -11.5551 2.02056 25.0007 TIMING: 642800 CPU: 2090.34, 0.0031782/step Wall: 2090.34, 0.0031782/step, 3.84668 hours remaining, 231.781250 MB of memory in use. ENERGY: 642800 3926.0283 20480.4236 14492.9142 252.2749 -203293.1412 2424.1093 0.0000 0.0000 52347.7627 -109369.6282 300.8433 -161717.3909 -108997.9716 299.7697 176.3333 204.6014 756776.5666 28.7504 28.8275 PRESSURE: 643000 -64.9997 -138.312 344.102 -138.312 -263.828 59.0959 344.102 59.0958 256.593 GPRESSURE: 643000 -49.9679 -187.979 296.673 -80.3586 -227.433 39.9579 389.682 38.0785 304.581 PRESSAVG: 643000 35.7145 -18.5025 29.44 -18.5025 2.50444 63.517 29.44 63.517 -12.7403 GPRESSAVG: 643000 35.199 -19.9489 29.6977 -16.8091 3.69692 63.7754 31.111 62.3344 -12.8571 TIMING: 643000 CPU: 2090.97, 0.00318158/step Wall: 2090.97, 0.00318158/step, 3.85059 hours remaining, 231.781250 MB of memory in use. ENERGY: 643000 3891.8164 20514.7409 14508.5035 260.3887 -203167.3257 2278.7995 0.0000 0.0000 52304.8615 -109408.2151 300.5968 -161713.0766 -109039.2119 299.5228 -24.0784 9.0598 757674.4265 8.4929 8.6796 PRESSURE: 643200 -11.5634 32.8897 -57.8701 32.8904 13.768 113.524 -57.8707 113.525 255.375 GPRESSURE: 643200 -10.657 87.9244 -23.2225 -0.999313 126.316 92.1718 -10.4291 -8.91989 221.024 PRESSAVG: 643200 0.54217 -22.4371 25.4866 -22.4372 -3.77627 -28.1542 25.4867 -28.1542 -12.5329 GPRESSAVG: 643200 0.836554 -22.4002 26.4382 -22.9711 -4.22906 -27.1951 23.6764 -27.8737 -11.8027 TIMING: 643200 CPU: 2091.61, 0.00317129/step Wall: 2091.61, 0.00317129/step, 3.83796 hours remaining, 231.781250 MB of memory in use. ENERGY: 643200 3954.8568 20559.9134 14444.8688 244.2655 -203224.1528 2534.0898 0.0000 0.0000 52180.2815 -109305.8770 299.8808 -161486.1585 -108944.1453 299.6392 85.8599 112.2278 758023.2419 -5.2557 -5.0651 PRESSURE: 643400 0.0989738 100.819 10.9882 100.82 -258.056 22.1947 10.9881 22.1938 -62.8621 GPRESSURE: 643400 -8.52267 -44.0741 -12.3024 43.8397 -139.997 15.1967 17.9544 -82.6363 -65.4369 PRESSAVG: 643400 25.7776 -27.4713 39.2736 -27.4714 -9.61515 -15.9098 39.2736 -15.9098 -12.7677 GPRESSAVG: 643400 26.6064 -27.657 39.3815 -26.051 -9.41327 -16.764 40.0811 -15.6479 -13.371 TIMING: 643400 CPU: 2092.25, 0.00319438/step Wall: 2092.25, 0.00319438/step, 3.86573 hours remaining, 231.781250 MB of memory in use. ENERGY: 643400 4066.0968 20479.7368 14501.1595 252.0673 -203443.7608 2665.8836 0.0000 0.0000 52044.6494 -109434.1675 299.1013 -161478.8169 -109066.6361 300.1493 -106.9396 -71.3189 759919.8878 1.1316 1.2741 PRESSURE: 643600 -189.644 -73.1216 92.5785 -73.1213 49.563 53.9039 92.5787 53.9036 106.622 GPRESSURE: 643600 -125.602 -33.371 107.012 -29.3277 44.6639 -30.4499 47.3383 84.6861 122.861 PRESSAVG: 643600 15.4468 -18.4351 3.87595 -18.4351 14.5784 -21.9215 3.87597 -21.9215 -9.69935 GPRESSAVG: 643600 14.1289 -16.3082 3.29446 -20.2528 14.4192 -23.0887 3.67652 -21.0353 -8.73547 TIMING: 643600 CPU: 2092.88, 0.00316333/step Wall: 2092.88, 0.00316333/step, 3.82798 hours remaining, 231.781250 MB of memory in use. ENERGY: 643600 4026.3265 20447.6547 14397.6192 244.4725 -203821.7377 2812.9500 0.0000 0.0000 52367.5871 -109525.1276 300.9572 -161892.7147 -109171.6775 299.6791 -11.1529 13.9742 760907.7798 6.7753 6.6042 PRESSURE: 643800 -215.934 -17.6372 117.689 -17.6366 -1.82123 -51.8677 117.689 -51.8671 -253.221 GPRESSURE: 643800 -87.194 -111.125 101.069 -94.5254 -46.0745 -32.3838 91.9254 101.981 -251.526 PRESSAVG: 643800 -5.96813 -28.04 -9.18999 -28.0401 -14.0173 -24.2416 -9.19 -24.2416 9.38129 GPRESSAVG: 643800 -5.6919 -29.8954 -8.51768 -29.6699 -12.8596 -23.3324 -11.3728 -25.3493 8.29152 TIMING: 643800 CPU: 2093.51, 0.00314297/step Wall: 2093.51, 0.00314297/step, 3.80317 hours remaining, 231.781250 MB of memory in use. ENERGY: 643800 3987.6775 20424.9407 14496.5149 242.3765 -203262.0522 2500.4913 0.0000 0.0000 51997.7171 -109612.3344 298.8316 -161610.0515 -109244.1559 299.1943 -156.9919 -128.2648 760523.6032 -3.5347 -3.4200 PRESSURE: 644000 -106.864 -100.346 -161.104 -100.346 -263.253 94.1288 -161.104 94.1294 -184.99 GPRESSURE: 644000 -155.339 -60.1963 -271.483 -97.3811 -138.399 40.9116 -92.2495 39.8838 -184.189 PRESSAVG: 644000 35.0833 -16.7268 33.752 -16.7268 23.3863 -7.22645 33.752 -7.22665 11.9223 GPRESSAVG: 644000 35.1909 -15.9688 31.8349 -15.5 22.2394 -7.33222 37.1348 -8.7417 12.8319 TIMING: 644000 CPU: 2094.14, 0.0031689/step Wall: 2094.14, 0.0031689/step, 3.83437 hours remaining, 231.781250 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: 644000 3996.1981 20558.0072 14502.7045 246.1736 -203118.3318 2369.8527 0.0000 0.0000 51991.6070 -109453.7886 298.7965 -161445.3956 -109084.3517 299.8896 -185.0359 -159.3087 761501.1336 23.4640 23.4207 PRESSURE: 644200 -116.726 -66.6981 236.883 -66.6981 -272.131 -58.787 236.883 -58.7871 -251.842 GPRESSURE: 644200 -162.291 -245.285 334.287 -102.419 -216.08 -19.9151 246.348 -17.2632 -166.886 PRESSAVG: 644200 35.9748 -45.221 -33.7157 -45.2209 -55.1149 21.3985 -33.7157 21.3984 19.7658 GPRESSAVG: 644200 36.4557 -47.6541 -33.5796 -43.9006 -55.0494 22.3551 -33.1992 22.1424 19.9926 TIMING: 644200 CPU: 2094.78, 0.00317449/step Wall: 2094.78, 0.00317449/step, 3.84096 hours remaining, 231.781250 MB of memory in use. ENERGY: 644200 3959.8317 20631.4627 14568.1485 248.7141 -203297.2443 2488.6753 0.0000 0.0000 52000.4937 -109399.9183 298.8476 -161400.4120 -109042.8818 299.3423 -213.5665 -181.7528 761689.2401 0.2086 0.4663 LDB: ============= START OF LOAD BALANCING ============== 2107.2 LDB: ============== END OF LOAD BALANCING =============== 2107.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2107.2 LDB: ============= START OF LOAD BALANCING ============== 2107.53 LDB: Largest compute 7025 load 0.035853 is 18.4% of average load 0.194952 LDB: Average compute 0.004391 is 2.3% of average load 0.194952 LDB: TIME 2107.53 LOAD: AVG 0.194952 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.16 MB LDB: TIME 2107.53 LOAD: AVG 0.194952 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.363 MB LDB: TIME 2107.53 LOAD: AVG 0.194952 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.363 MB LDB: ============== END OF LOAD BALANCING =============== 2107.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2107.54 PRESSURE: 644400 -38.1954 -96.0015 146.934 -96.0017 -110.067 -204.269 146.934 -204.27 -251.687 GPRESSURE: 644400 -16.4151 2.63031 62.8591 -94.331 -78.1605 -184.688 110.322 -229.217 -211.718 PRESSAVG: 644400 -23.7307 -64.4744 -6.39528 -64.4743 -16.8059 10.1099 -6.39523 10.1099 -2.26932 GPRESSAVG: 644400 -24.8277 -62.5823 -5.5071 -66.116 -15.786 9.76315 -7.76468 10.115 -1.95717 TIMING: 644400 CPU: 2095.43, 0.00326849/step Wall: 2095.43, 0.00326849/step, 3.95451 hours remaining, 230.871094 MB of memory in use. ENERGY: 644400 4008.9414 20536.1933 14566.1495 260.6452 -203256.7922 2447.1712 0.0000 0.0000 52112.5532 -109325.1385 299.4916 -161437.6917 -108976.6247 299.4058 -133.3164 -102.0980 760570.7616 -14.2686 -14.1903 PRESSURE: 644600 293.251 -78.5517 -36.9051 -78.5505 63.5546 -114.124 -36.9048 -114.125 339.683 GPRESSURE: 644600 237.481 -106.067 -181.247 84.4205 169.177 -133.597 -82.7519 -113.374 374.948 PRESSAVG: 644600 -0.758216 -55.4501 -13.4796 -55.4501 31.9542 -36.3614 -13.4796 -36.3614 3.55176 GPRESSAVG: 644600 0.151019 -56.1616 -14.8932 -53.7197 31.0679 -37.1869 -14.066 -36.4777 3.17239 TIMING: 644600 CPU: 2096.06, 0.00315116/step Wall: 2096.06, 0.00315116/step, 3.81238 hours remaining, 231.144531 MB of memory in use. ENERGY: 644600 3964.9965 20457.8541 14524.4130 236.5700 -203140.1464 2684.5207 0.0000 0.0000 51982.1988 -109289.5933 298.7424 -161271.7921 -108935.3137 299.5770 232.1629 260.5350 760484.7929 11.5826 11.4638 PRESSURE: 644800 -315.778 36.1832 22.1096 36.1821 66.915 224.163 22.1107 224.165 -219.799 GPRESSURE: 644800 -221.04 14.8724 128.799 49.0135 46.9531 239.27 33.2944 15.7285 -204.49 PRESSAVG: 644800 -20.3093 -43.0915 -6.74394 -43.0916 11.979 20.9678 -6.7439 20.9677 -27.286 GPRESSAVG: 644800 -19.4769 -43.0178 -6.51906 -43.6357 11.7462 21.3161 -5.74708 20.1558 -28.1189 TIMING: 644800 CPU: 2096.69, 0.00316157/step Wall: 2096.69, 0.00316157/step, 3.8248 hours remaining, 231.144531 MB of memory in use. ENERGY: 644800 3949.8449 20387.5076 14521.5302 242.0309 -203009.3095 2403.8253 0.0000 0.0000 52016.3668 -109488.2038 298.9388 -161504.5706 -109125.7288 299.0685 -156.2208 -126.1924 762337.6976 -11.8721 -11.9499 PRESSURE: 645000 -56.3093 -22.1244 -21.9381 -22.1241 57.1796 -19.156 -21.9388 -19.1572 90.0676 GPRESSURE: 645000 -56.1153 -81.7146 -92.0342 -175.312 127.177 -44.0707 22.4231 2.46316 137.207 PRESSAVG: 645000 -23.2485 -44.4646 -31.6713 -44.4646 41.3884 18.8591 -31.6713 18.8592 16.4642 GPRESSAVG: 645000 -24.5019 -43.0054 -31.0575 -45.873 42.7435 19.0912 -30.1993 20.4569 16.9215 TIMING: 645000 CPU: 2097.33, 0.00317298/step Wall: 2097.33, 0.00317298/step, 3.83842 hours remaining, 231.144531 MB of memory in use. ENERGY: 645000 3954.5233 20427.0388 14448.4548 245.4435 -203653.0887 2681.1785 0.0000 0.0000 52309.0292 -109587.4206 300.6207 -161896.4498 -109220.4887 299.2836 30.3127 69.4230 758109.8963 11.5347 11.7210 PRESSURE: 645200 2.72822 66.3137 202.682 66.3136 -118.362 -434.567 202.682 -434.568 338.517 GPRESSURE: 645200 -3.56179 149.364 54.9602 32.8108 18.9177 -467.157 266.295 -275.999 283.797 PRESSAVG: 645200 14.1229 15.8252 -18.6527 15.8252 -22.9732 -5.82792 -18.6528 -5.82788 12.9364 GPRESSAVG: 645200 13.5234 15.3491 -19.5212 15.651 -23.0138 -7.64269 -19.9721 -5.79847 13.1747 TIMING: 645200 CPU: 2097.97, 0.00320964/step Wall: 2097.97, 0.00320964/step, 3.8826 hours remaining, 231.144531 MB of memory in use. ENERGY: 645200 4079.0675 20604.5718 14504.6754 216.1787 -203251.4290 2124.0576 0.0000 0.0000 52149.2920 -109573.5861 299.7027 -161722.8780 -109215.0746 299.4416 74.2944 99.7177 760064.6364 1.3620 1.2281 PRESSURE: 645400 -333.656 -121.969 -97.4362 -121.969 -239.921 -37.9455 -97.4362 -37.9435 -113.8 GPRESSURE: 645400 -317.695 -141.932 -155.208 12.4586 -160.272 -35.7683 -96.3089 42.8511 -105.228 PRESSAVG: 645400 15.2714 -53.1329 -70.7529 -53.1329 -34.234 7.92689 -70.7529 7.92682 2.38053 GPRESSAVG: 645400 16.0937 -53.6152 -71.3062 -51.8326 -34.8461 9.46463 -70.3959 6.41136 1.86798 TIMING: 645400 CPU: 2098.61, 0.00319824/step Wall: 2098.61, 0.00319824/step, 3.86863 hours remaining, 231.144531 MB of memory in use. ENERGY: 645400 4107.9464 20475.4072 14480.1873 262.8698 -203249.2205 2213.3065 0.0000 0.0000 52083.2729 -109626.2304 299.3233 -161709.5033 -109270.0178 299.1863 -229.1256 -194.3986 759631.7402 -5.5273 -5.6282 PRESSURE: 645600 42.0407 35.8874 272.332 35.8869 73.157 -161.479 272.332 -161.478 83.9582 GPRESSURE: 645600 59.9352 -13.436 240.509 0.680372 77.8074 -78.264 219.411 -201.458 165.177 PRESSAVG: 645600 48.0024 -2.87879 -10.6774 -2.87873 -26.8951 -14.1797 -10.6774 -14.1797 26.6847 GPRESSAVG: 645600 47.8833 -4.78804 -9.72669 -1.84675 -26.1653 -12.6901 -10.663 -15.2523 25.8578 TIMING: 645600 CPU: 2099.24, 0.00317543/step Wall: 2099.24, 0.00317543/step, 3.84086 hours remaining, 231.144531 MB of memory in use. ENERGY: 645600 4003.5455 20393.2196 14436.3295 229.3638 -203408.4890 2564.9113 0.0000 0.0000 52241.4271 -109539.6922 300.2322 -161781.1193 -109172.7954 299.5620 66.3853 100.9730 759905.1575 15.9307 15.8586 PRESSURE: 645800 213.38 47.937 -53.7855 47.9374 -210.307 -102.493 -53.7854 -102.493 401.336 GPRESSURE: 645800 209.15 -25.9579 -105.55 113.577 -120.075 -155.358 43.3707 159.729 406.085 PRESSAVG: 645800 11.3811 -37.4846 33.7313 -37.4847 -37.8084 0.857036 33.7313 0.856993 22.5105 GPRESSAVG: 645800 11.4604 -35.5445 33.3917 -37.9086 -38.8812 -0.584493 33.4775 4.85241 23.1759 TIMING: 645800 CPU: 2099.88, 0.00315184/step Wall: 2099.88, 0.00315184/step, 3.81215 hours remaining, 231.144531 MB of memory in use. ENERGY: 645800 3932.3491 20488.6975 14431.7331 259.2036 -203319.9096 2616.8503 0.0000 0.0000 52122.7529 -109468.3231 299.5502 -161591.0760 -109096.3241 299.2554 134.8030 165.0533 761177.0859 -1.3056 -1.4150 PRESSURE: 646000 -28.0756 83.9835 -59.5444 83.983 -342.884 -59.2592 -59.5445 -59.2587 -162.913 GPRESSURE: 646000 -7.61829 171.802 -130.646 115.528 -310.009 -44.2574 -155.218 -194.237 -133.327 PRESSAVG: 646000 -36.0008 24.4576 11.4069 24.4577 -12.4173 9.83542 11.4068 9.83551 14.0954 GPRESSAVG: 646000 -35.7555 25.9605 11.6891 24.9244 -12.2657 11.7655 11.6172 6.69823 13.8946 TIMING: 646000 CPU: 2100.51, 0.00317506/step Wall: 2100.51, 0.00317506/step, 3.84006 hours remaining, 231.144531 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: 646000 4034.1321 20527.1891 14525.0323 251.7502 -203028.2671 2264.3085 0.0000 0.0000 52159.2576 -109266.5974 299.7600 -161425.8550 -108899.0114 299.7166 -177.9576 -150.3179 761097.4143 -11.4409 -11.3755 PRESSURE: 646200 -306.95 229.345 17.8632 229.345 -30.2312 -62.2153 17.8636 -62.2169 -97.8091 GPRESSURE: 646200 -272.633 262.208 -0.103402 203.998 -19.1691 -37.4614 20.8332 21.6075 -81.9351 PRESSAVG: 646200 9.71825 44.0241 -0.989631 44.0241 -6.29317 -11.8698 -0.989679 -11.8698 -23.9463 GPRESSAVG: 646200 9.12372 43.3691 -0.133966 43.0885 -6.23036 -11.9715 -3.56708 -11.9015 -23.0334 TIMING: 646200 CPU: 2101.14, 0.00314684/step Wall: 2101.14, 0.00314684/step, 3.80575 hours remaining, 231.144531 MB of memory in use. ENERGY: 646200 4014.3641 20566.1246 14546.1734 244.6035 -203432.8931 2557.6322 0.0000 0.0000 52163.7470 -109340.2483 299.7858 -161503.9953 -108969.0344 299.8366 -144.9968 -124.5791 759179.1785 -6.8404 -6.7134 PRESSURE: 646400 -19.3193 57.1944 -173.716 57.1944 -364.693 31.424 -173.716 31.4247 -235.441 GPRESSURE: 646400 13.9068 43.6469 -240.52 152.156 -293.672 15.9716 -211.058 -101.625 -256.181 PRESSAVG: 646400 -20.3135 23.6604 -23.0914 23.6604 -3.1019 20.302 -23.0914 20.3021 -7.01708 GPRESSAVG: 646400 -19.7393 22.0864 -21.8832 22.9929 -2.83529 19.4283 -21.9538 20.3881 -7.23305 TIMING: 646400 CPU: 2101.77, 0.00315831/step Wall: 2101.77, 0.00315831/step, 3.81945 hours remaining, 231.144531 MB of memory in use. ENERGY: 646400 4020.4499 20659.4911 14480.1650 256.0502 -203137.7579 2181.5950 0.0000 0.0000 52244.2287 -109295.7780 300.2483 -161540.0067 -108934.0674 300.0955 -206.4842 -178.6487 760093.9986 -10.1442 -9.9359 PRESSURE: 646600 -291.058 -191.155 53.2097 -191.155 -37.9009 49.0244 53.2094 49.0242 214.32 GPRESSURE: 646600 -242.913 -100.613 4.79242 -65.2125 71.2116 42.063 173.49 77.3048 136.359 PRESSAVG: 646600 16.7092 32.063 34.8115 32.0631 24.529 -32.1227 34.8115 -32.1226 19.5981 GPRESSAVG: 646600 15.6884 35.0127 34.2532 31.8229 25.1941 -30.6472 35.7388 -32.0097 19.2131 TIMING: 646600 CPU: 2102.4, 0.00315641/step Wall: 2102.4, 0.00315641/step, 3.81698 hours remaining, 231.144531 MB of memory in use. ENERGY: 646600 3957.9440 20469.0995 14374.2533 242.4465 -203228.9775 2445.1906 0.0000 0.0000 52096.5988 -109643.4447 299.3999 -161740.0435 -109271.1275 299.5369 -38.2131 -11.7807 759356.3846 20.2788 20.0319 PRESSURE: 646800 -30.1939 17.7196 100.078 17.7195 147.691 -283.17 100.078 -283.169 -254.529 GPRESSURE: 646800 30.6051 -59.5149 62.009 -46.5793 142.714 -276.978 53.5172 -288.553 -214.644 PRESSAVG: 646800 79.7826 -22.8818 45.9022 -22.8817 -39.1954 -41.0374 45.9022 -41.0374 13.9186 GPRESSAVG: 646800 79.6322 -24.9221 44.2142 -22.3155 -39.1495 -45.2194 48.6424 -39.4521 13.9109 TIMING: 646800 CPU: 2103.03, 0.00315989/step Wall: 2103.03, 0.00315989/step, 3.82101 hours remaining, 231.144531 MB of memory in use. ENERGY: 646800 3975.2213 20643.4063 14495.1587 249.7221 -203447.3048 2429.6026 0.0000 0.0000 51979.8154 -109674.3783 298.7287 -161654.1937 -109306.9425 299.0925 -45.6772 -13.7748 760217.0588 18.1686 18.1312 PRESSURE: 647000 -65.4388 -104.877 117.788 -104.876 76.1414 -68.6532 117.788 -68.6532 105.414 GPRESSURE: 647000 -13.4969 -239.335 89.8881 -95.0705 118.746 -18.0043 193.374 -117.24 76.2334 PRESSAVG: 647000 14.6373 -2.64902 75.6095 -2.64908 -39.2341 15.522 75.6095 15.5221 -4.87315 GPRESSAVG: 647000 15.1891 -2.39825 77.1932 -3.2768 -39.936 16.7611 71.3215 13.6568 -5.25034 TIMING: 647000 CPU: 2103.67, 0.0031935/step Wall: 2103.67, 0.0031935/step, 3.86148 hours remaining, 231.144531 MB of memory in use. ENERGY: 647000 3943.7749 20512.3461 14583.0619 241.0845 -203595.7689 2545.9035 0.0000 0.0000 52028.4986 -109741.0995 299.0085 -161769.5981 -109380.7511 299.1376 38.7054 60.4943 759543.5100 -9.8233 -9.9991 PRESSURE: 647200 21.2647 216.492 -271.395 216.493 -172.775 178.764 -271.394 178.765 -506.376 GPRESSURE: 647200 37.1734 264.944 -303.6 138.87 -158.572 132.969 -229.224 132.797 -463.491 PRESSAVG: 647200 74.6946 -40.5562 31.1272 -40.5563 -37.8515 -30.741 31.1272 -30.7411 -12.6526 GPRESSAVG: 647200 72.4776 -40.8646 30.1508 -38.7358 -36.069 -30.2949 33.3966 -31.0101 -11.9529 TIMING: 647200 CPU: 2104.31, 0.00316946/step Wall: 2104.31, 0.00316946/step, 3.83223 hours remaining, 231.144531 MB of memory in use. ENERGY: 647200 3931.9361 20591.8121 14483.6924 255.5863 -203386.2086 2492.9872 0.0000 0.0000 52194.5959 -109435.5987 299.9631 -161630.1946 -109071.6801 299.6920 -219.2954 -194.9632 760216.9635 8.0635 8.1519 PRESSURE: 647400 -265.993 73.3194 -49.5295 73.3191 -89.8248 -72.8226 -49.5296 -72.8225 -147.67 GPRESSURE: 647400 -253.069 85.684 13.6319 182.52 -131.8 -101.512 -204.468 120.012 -39.8479 PRESSAVG: 647400 55.9721 44.9532 -18.617 44.9531 -49.5809 -42.6491 -18.6171 -42.6491 -7.96595 GPRESSAVG: 647400 57.5153 45.323 -18.2962 44.2421 -50.4119 -42.0305 -18.7801 -42.837 -9.19021 TIMING: 647400 CPU: 2104.94, 0.00315606/step Wall: 2104.94, 0.00315607/step, 3.81586 hours remaining, 231.144531 MB of memory in use. ENERGY: 647400 3960.9630 20714.2758 14476.9760 246.3294 -203138.8253 2404.1641 0.0000 0.0000 52013.7862 -109322.3307 298.9239 -161336.1169 -108961.1764 299.2595 -167.8293 -141.5723 761463.9082 -0.5249 -0.6956 PRESSURE: 647600 -91.1926 64.9202 171.345 64.9189 -129.035 -46.6695 171.344 -46.6706 223.644 GPRESSURE: 647600 71.9001 91.5078 212.779 145.231 -192.543 -14.1672 139.655 -87.8842 203.285 PRESSAVG: 647600 9.48061 27.9434 -14.9983 27.9434 -27.2115 10.3835 -14.9984 10.3835 19.7582 GPRESSAVG: 647600 9.84516 28.8756 -15.6199 27.6182 -28.3725 8.72886 -17.0687 13.3462 20.861 TIMING: 647600 CPU: 2105.57, 0.00315948/step Wall: 2105.57, 0.00315948/step, 3.81981 hours remaining, 231.144531 MB of memory in use. ENERGY: 647600 4026.3377 20570.7569 14537.8947 240.5108 -203230.8545 2452.2064 0.0000 0.0000 51983.5717 -109419.5762 298.7503 -161403.1480 -109051.6216 299.7438 1.1385 27.5476 761222.6669 0.6758 0.7779 PRESSURE: 647800 166.981 -70.9873 -65.3198 -70.9882 -60.0172 -115.461 -65.3206 -115.462 -213.692 GPRESSURE: 647800 204.862 -80.6678 -96.6348 -100.763 -16.3923 -174.336 -48.0246 -72.9335 -212.983 PRESSAVG: 647800 89.4961 -26.259 7.91579 -26.259 -26.8415 3.42271 7.9158 3.42271 18.4631 GPRESSAVG: 647800 91.1528 -26.6787 9.71372 -26.5238 -27.6634 3.35443 9.69 2.42435 18.2179 TIMING: 647800 CPU: 2106.2, 0.00316081/step Wall: 2106.2, 0.00316081/step, 3.82124 hours remaining, 231.144531 MB of memory in use. ENERGY: 647800 4008.3704 20671.4607 14471.2178 265.1618 -203231.9075 2466.5313 0.0000 0.0000 52047.4931 -109301.6723 299.1177 -161349.1654 -108939.4796 299.5450 -35.5760 -8.1710 760834.6087 27.0392 27.2357 PRESSURE: 648000 159.474 15.4706 -51.1572 15.4705 -228.454 34.1686 -51.1573 34.1678 -152.233 GPRESSURE: 648000 130.187 -17.3173 -61.761 94.4544 -127.366 30.0045 -90.5279 111.228 -148.397 PRESSAVG: 648000 -17.877 -26.0553 -4.02733 -26.0553 26.2184 -21.5726 -4.02732 -21.5727 7.90411 GPRESSAVG: 648000 -20.1446 -25.9563 -5.46081 -27.8029 28.9901 -20.185 -3.74254 -20.7545 7.40689 TIMING: 648000 CPU: 2106.84, 0.00316457/step Wall: 2106.84, 0.00316457/step, 3.82561 hours remaining, 231.144531 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: 648000 3979.8824 20554.2870 14500.9781 252.3177 -203083.5544 2390.6186 0.0000 0.0000 51977.9390 -109427.5315 298.7179 -161405.4705 -109057.9685 299.5147 -73.7376 -48.5253 760828.6078 5.4152 5.4174 PRESSURE: 648200 44.5591 -173.751 249.223 -173.75 8.72168 18.1092 249.224 18.109 36.3117 GPRESSURE: 648200 82.4995 -170.424 236.884 -209.275 35.9532 62.4653 173.207 -73.5066 54.9944 PRESSAVG: 648200 40.745 -35.1255 8.82975 -35.1255 -39.7849 24.6925 8.82976 24.6924 -1.59181 GPRESSAVG: 648200 40.7598 -35.0187 8.83009 -34.7904 -39.6798 24.882 7.85781 24.0171 -1.78622 TIMING: 648200 CPU: 2107.46, 0.00313676/step Wall: 2107.46, 0.00313676/step, 3.79182 hours remaining, 231.144531 MB of memory in use. ENERGY: 648200 4002.3151 20549.7153 14443.5960 246.5606 -203142.8462 2452.6569 0.0000 0.0000 51918.5317 -109529.4706 298.3765 -161448.0023 -109178.5940 299.3738 29.8641 57.8157 761126.7186 -0.2106 -0.2354 LDB: ============= START OF LOAD BALANCING ============== 2119.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2119.89 LDB: =============== DONE WITH MIGRATION ================ 2119.89 LDB: ============= START OF LOAD BALANCING ============== 2120.21 LDB: Largest compute 7025 load 0.036625 is 18.8% of average load 0.194905 LDB: Average compute 0.004400 is 2.3% of average load 0.194905 LDB: TIME 2120.21 LOAD: AVG 0.194905 MAX 0.215923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.898 MB LDB: TIME 2120.21 LOAD: AVG 0.194905 MAX 0.215923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: TIME 2120.21 LOAD: AVG 0.194905 MAX 0.215923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.898 MB LDB: ============== END OF LOAD BALANCING =============== 2120.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2120.22 PRESSURE: 648400 -169.778 -22.3906 125.563 -22.3912 -261.727 233.376 125.564 233.376 91.3195 GPRESSURE: 648400 -71.0341 -57.9265 194.777 -6.22355 -255.107 186.682 148.06 221.064 65.9006 PRESSAVG: 648400 62.6756 -50.0779 -21.6176 -50.0778 -58.6334 -45.3659 -21.6175 -45.3658 2.3701 GPRESSAVG: 648400 64.2736 -50.1324 -21.7224 -47.5107 -59.7481 -44.8883 -22.9295 -45.352 2.02891 TIMING: 648400 CPU: 2108.11, 0.00325509/step Wall: 2108.11, 0.00325509/step, 3.93468 hours remaining, 230.539062 MB of memory in use. ENERGY: 648400 4049.7511 20570.8545 14461.1988 224.1227 -203266.3242 2286.4400 0.0000 0.0000 51791.8503 -109882.1069 297.6485 -161673.9571 -109514.6585 298.7377 -113.3954 -86.7470 761488.9904 2.1374 2.1848 PRESSURE: 648600 -111.88 -19.9909 -104.267 -19.9916 -206.597 -52.0718 -104.267 -52.072 249.368 GPRESSURE: 648600 -90.4325 -138.083 -79.5288 68.313 -139.157 -9.33676 27.6339 14.1879 229.145 PRESSAVG: 648600 1.97775 -20.9538 -4.23179 -20.9538 11.2841 -1.35348 -4.2318 -1.35351 -2.39297 GPRESSAVG: 648600 0.93245 -21.6978 -2.38019 -23.1681 13.0881 -2.70466 -3.95996 -0.640908 -3.36661 TIMING: 648600 CPU: 2108.74, 0.00314999/step Wall: 2108.74, 0.00314999/step, 3.80747 hours remaining, 230.539062 MB of memory in use. ENERGY: 648600 3969.8529 20580.4376 14513.0767 242.2464 -203352.8629 2421.2704 0.0000 0.0000 51876.0148 -109749.9641 298.1322 -161625.9789 -109393.3486 298.3439 -23.0363 -0.1480 758738.7765 3.6230 3.5513 PRESSURE: 648800 -7.95893 47.9502 -365.912 47.9501 -119.721 -79.0488 -365.911 -79.0478 -70.6381 GPRESSURE: 648800 2.25279 44.8579 -372.175 102.62 -90.5441 -75.6892 -235.74 -119.788 -23.8361 PRESSAVG: 648800 -11.6512 -14.1681 -16.9053 -14.1681 -24.2902 -17.527 -16.9054 -17.527 -19.215 GPRESSAVG: 648800 -12.8773 -15.0609 -17.7694 -14.8694 -24.3649 -17.1115 -15.0355 -19.0739 -17.8276 TIMING: 648800 CPU: 2109.38, 0.00316177/step Wall: 2109.38, 0.00316177/step, 3.82153 hours remaining, 230.742188 MB of memory in use. ENERGY: 648800 4060.1297 20711.6470 14424.8785 262.8108 -203334.0146 2414.1629 0.0000 0.0000 51983.0065 -109477.3793 298.7471 -161460.3858 -109126.0714 299.1088 -66.1061 -37.3758 759311.9518 -18.3855 -18.3566 PRESSURE: 649000 -173.133 -140.429 -36.0869 -140.429 -71.4598 303.246 -36.0872 303.246 58.8711 GPRESSURE: 649000 -190.443 -37.4846 -90.2977 -58.4417 -10.9897 254.121 -63.9002 295 105.912 PRESSAVG: 649000 9.89689 -27.8126 -22.4144 -27.8125 17.9562 2.7064 -22.4144 2.70637 -1.19972 GPRESSAVG: 649000 10.9499 -26.8763 -24.3953 -26.3698 16.1623 2.20575 -21.6032 2.53347 -0.262393 TIMING: 649000 CPU: 2110.01, 0.00316026/step Wall: 2110.01, 0.00316026/step, 3.81953 hours remaining, 230.742188 MB of memory in use. ENERGY: 649000 4006.0062 20532.5673 14497.8129 258.9521 -203588.6691 2465.6822 0.0000 0.0000 52135.5563 -109692.0920 299.6238 -161827.6483 -109326.9353 299.6195 -61.9071 -31.8401 758668.9677 8.8845 8.9499 PRESSURE: 649200 224.236 -105.502 -17.62 -105.503 -149.016 -173.574 -17.6202 -173.575 -153.646 GPRESSURE: 649200 274.133 -0.0904996 -91.0614 -111.403 -50.8612 -150.789 8.99605 -83.64 -220.196 PRESSAVG: 649200 6.89399 -44.9773 -12.4866 -44.9773 -5.97073 1.073 -12.4866 1.07302 -12.2045 GPRESSAVG: 649200 7.72173 -45.044 -10.7154 -43.8605 -6.16117 2.76275 -14.2877 0.939717 -12.982 TIMING: 649200 CPU: 2110.64, 0.00316084/step Wall: 2110.64, 0.00316084/step, 3.82005 hours remaining, 230.742188 MB of memory in use. ENERGY: 649200 4023.8047 20512.6434 14476.5094 254.1008 -203541.1078 2391.8441 0.0000 0.0000 52227.5827 -109654.6227 300.1526 -161882.2054 -109279.8426 299.5164 -26.1419 1.0255 758417.6248 -3.7604 -3.8071 PRESSURE: 649400 141.53 9.91247 -176.121 9.91185 44.1361 -44.3293 -176.121 -44.3285 54.2704 GPRESSURE: 649400 115.841 15.0448 -52.6792 -50.3865 146.824 -75.7918 -174.393 105.376 50.7661 PRESSAVG: 649400 25.4109 -36.7785 -75.9937 -36.7785 -0.0387869 -24.4358 -75.9937 -24.4358 12.2894 GPRESSAVG: 649400 25.0235 -37.6601 -76.4358 -37.1682 1.3135 -24.2181 -75.3826 -24.192 11.5556 TIMING: 649400 CPU: 2111.27, 0.00316682/step Wall: 2111.27, 0.00316682/step, 3.8271 hours remaining, 230.742188 MB of memory in use. ENERGY: 649400 3948.8612 20588.6726 14493.9874 252.4948 -203619.0548 2608.6432 0.0000 0.0000 52194.1776 -109532.2181 299.9607 -161726.3957 -109162.5594 299.6357 79.9787 104.4771 759304.1014 12.5538 12.6309 PRESSURE: 649600 479.234 29.3079 -243.462 29.3072 176.094 -216.002 -243.463 -216.003 281.936 GPRESSURE: 649600 497.86 18.3549 -224.947 8.90973 226.4 -271.362 -197.305 -125.512 293.095 PRESSAVG: 649600 -8.85024 -39.0935 -20.7286 -39.0936 43.8345 -5.54772 -20.7286 -5.54772 -5.88552 GPRESSAVG: 649600 -8.71339 -38.3606 -21.6698 -39.3426 43.5532 -6.77999 -19.5034 -6.45882 -5.5535 TIMING: 649600 CPU: 2111.9, 0.00315648/step Wall: 2111.9, 0.00315648/step, 3.81443 hours remaining, 230.742188 MB of memory in use. ENERGY: 649600 3897.4273 20557.9583 14443.9351 248.5637 -203639.7241 2799.0371 0.0000 0.0000 52136.5012 -109556.3013 299.6292 -161692.8025 -109193.8136 299.3558 312.4217 339.1182 759515.3251 9.6996 9.7621 PRESSURE: 649800 -41.0795 -236.288 141.969 -236.288 56.4444 169.968 141.969 169.968 416.918 GPRESSURE: 649800 34.6806 -218.306 103.139 -326.204 53.6054 251.931 130.682 42.7904 433.148 PRESSAVG: 649800 1.58429 -67.2594 22.3483 -67.2594 25.4817 -69.2735 22.3482 -69.2735 -5.10396 GPRESSAVG: 649800 0.5684 -64.7387 20.9616 -68.0018 26.4587 -69.3291 20.305 -69.2697 -5.02503 TIMING: 649800 CPU: 2112.54, 0.00317855/step Wall: 2112.54, 0.00317855/step, 3.84093 hours remaining, 230.945312 MB of memory in use. ENERGY: 649800 3974.3921 20609.2128 14536.1860 264.9777 -203470.3354 2459.9152 0.0000 0.0000 51998.0873 -109627.5642 298.8337 -161625.6515 -109265.4368 299.3192 144.0942 173.8113 759760.3911 7.3207 7.3340 PRESSURE: 650000 -222.798 -44.3225 126.493 -44.3227 -258.21 -256.269 126.493 -256.269 -396.009 GPRESSURE: 650000 -161.864 8.47798 191.422 -126.458 -227.536 -253.875 -36.216 -272.464 -403.34 PRESSAVG: 650000 -25.2151 -21.5398 13.8161 -21.5399 22.3746 -65.0496 13.8161 -65.0496 -18.5222 GPRESSAVG: 650000 -24.6183 -24.3894 16.6979 -20.8499 21.9745 -63.4742 15.0359 -67.3501 -18.8681 TIMING: 650000 CPU: 2113.18, 0.00317222/step Wall: 2113.18, 0.00317221/step, 3.83309 hours remaining, 230.945312 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: 650000 3895.4952 20604.4340 14467.2444 270.0217 -203289.1870 2253.5230 0.0000 0.0000 52043.2979 -109755.1709 299.0935 -161798.4687 -109390.2196 298.9622 -292.3389 -264.2466 760912.7751 -7.1209 -7.1706 PRESSURE: 650200 -40.8896 18.5686 -98.0258 18.5679 -54.5342 9.62393 -98.0251 9.62449 24.9991 GPRESSURE: 650200 17.5889 -144.007 -62.9791 75.4033 -14.9398 25.8796 -211.258 -61.8535 13.6059 PRESSAVG: 650200 -14.376 1.40654 -14.5298 1.40656 26.1098 -10.3071 -14.5298 -10.3072 9.57863 GPRESSAVG: 650200 -13.7588 0.283061 -17.116 2.72916 24.8668 -11.8585 -15.112 -7.18267 10.2263 TIMING: 650200 CPU: 2113.81, 0.00316131/step Wall: 2113.81, 0.00316131/step, 3.81974 hours remaining, 230.945312 MB of memory in use. ENERGY: 650200 3987.5659 20618.1380 14469.7699 250.4994 -203116.5781 2173.2525 0.0000 0.0000 52154.1825 -109463.1700 299.7308 -161617.3524 -109103.4251 299.3342 -23.4749 5.4183 759785.1835 7.1041 7.1114 PRESSURE: 650400 -103.308 -84.7962 -3.51419 -84.7971 183.433 58.1123 -3.51373 58.1127 -45.474 GPRESSURE: 650400 -39.4813 91.2801 118.948 -43.6808 235.344 80.8083 7.21635 63.4032 -88.7131 PRESSAVG: 650400 -23.9552 13.8642 -9.25783 13.8642 -9.54755 -50.6117 -9.25785 -50.6117 -1.88594 GPRESSAVG: 650400 -25.0105 14.3583 -9.16435 13.3523 -8.19897 -50.2632 -7.55233 -50.6043 -2.53713 TIMING: 650400 CPU: 2114.44, 0.0031494/step Wall: 2114.44, 0.0031494/step, 3.80517 hours remaining, 230.945312 MB of memory in use. ENERGY: 650400 3946.6522 20623.5258 14471.4990 248.8780 -203951.0218 2925.0500 0.0000 0.0000 52100.1188 -109635.2980 299.4201 -161735.4168 -109275.8149 299.6662 11.5504 35.7166 760476.2687 -11.7962 -11.9155 PRESSURE: 650600 -62.7932 73.4776 145.558 73.4771 152.543 -108.587 145.557 -108.587 -22.4305 GPRESSURE: 650600 65.233 130.713 85.8158 207.38 89.368 -124.811 102.062 -10.841 12.3619 PRESSAVG: 650600 3.10577 -43.51 -6.6796 -43.5099 -31.3606 -11.0441 -6.67961 -11.044 -21.5866 GPRESSAVG: 650600 3.37828 -41.1169 -5.53518 -42.9034 -33.0961 -12.2944 -11.2199 -12.1882 -20.0996 TIMING: 650600 CPU: 2115.06, 0.00313343/step Wall: 2115.06, 0.00313343/step, 3.78571 hours remaining, 230.945312 MB of memory in use. ENERGY: 650600 3984.1198 20637.7566 14535.6490 258.0641 -203432.0278 2401.9619 0.0000 0.0000 52082.1032 -109532.3733 299.3166 -161614.4765 -109181.8354 299.1099 22.4399 55.6543 760492.4386 -16.6138 -16.6058 PRESSURE: 650800 -97.0481 20.5346 -252.545 20.5353 -183.861 -2.37914 -252.546 -2.37864 -84.2107 GPRESSURE: 650800 -55.8909 -85.2856 -194.98 -101.508 -112.454 -20.9706 -84.3764 33.941 -113.414 PRESSAVG: 650800 -41.9222 23.5021 -10.7051 23.502 5.72593 41.5131 -10.705 41.5131 -8.694 GPRESSAVG: 650800 -42.6982 23.5255 -10.5678 19.5422 8.05358 41.9321 -6.77236 43.646 -10.2383 TIMING: 650800 CPU: 2115.69, 0.00315211/step Wall: 2115.69, 0.00315211/step, 3.8081 hours remaining, 230.945312 MB of memory in use. ENERGY: 650800 3929.1537 20362.9876 14525.3752 268.6750 -203305.7196 2530.8176 0.0000 0.0000 52290.5462 -109398.1642 300.5145 -161688.7104 -109027.7247 299.4713 -121.7067 -93.9195 761130.7125 -14.9634 -14.9610 PRESSURE: 651000 -161.435 213.81 -381.25 213.811 63.2125 -326.245 -381.25 -326.245 -11.2628 GPRESSURE: 651000 -137.503 163.891 -318.512 179.472 87.9635 -254.866 -367.892 -214.048 13.551 PRESSAVG: 651000 -44.8204 38.2654 7.10132 38.2653 30.8678 3.11162 7.10132 3.11152 3.59749 GPRESSAVG: 651000 -44.9861 37.82 7.17678 39.372 30.7544 2.82734 6.59631 3.39907 4.08383 TIMING: 651000 CPU: 2116.32, 0.00314435/step Wall: 2116.32, 0.00314435/step, 3.79855 hours remaining, 230.945312 MB of memory in use. ENERGY: 651000 4015.8556 20524.9364 14550.4669 259.9633 -203439.7174 2386.5780 0.0000 0.0000 52101.3462 -109600.5710 299.4272 -161701.9172 -109232.1546 299.3547 -36.4952 -11.9961 760391.4588 -3.4517 -3.3826 PRESSURE: 651200 -398.431 -2.04071 59.5953 -2.04046 -284.632 -187.17 59.5952 -187.17 21.3156 GPRESSURE: 651200 -305.79 11.7535 -41.7347 7.04742 -246.344 -79.8868 123.437 -142.948 -7.30469 PRESSAVG: 651200 -43.5963 -26.1982 -4.34673 -26.1981 17.97 -24.4435 -4.34671 -24.4434 0.10869 GPRESSAVG: 651200 -42.144 -26.728 -5.72902 -25.5221 16.0152 -22.1469 -4.5165 -27.3815 0.633839 TIMING: 651200 CPU: 2116.96, 0.00316426/step Wall: 2116.96, 0.00316426/step, 3.82242 hours remaining, 230.945312 MB of memory in use. ENERGY: 651200 4005.9847 20482.3680 14505.6827 245.1596 -203570.3511 2505.0765 0.0000 0.0000 52234.5445 -109591.5352 300.1926 -161826.0796 -109232.4046 299.0571 -220.5825 -186.4794 761826.3879 -8.5059 -8.4983 PRESSURE: 651400 -436.667 110.247 -88.1528 110.247 -137.962 45.3263 -88.1528 45.3265 -265.972 GPRESSURE: 651400 -380.013 166.18 -21.2287 101.958 -134.619 -48.7806 -218.36 21.1833 -238.691 PRESSAVG: 651400 -65.3967 -42.2238 50.8063 -42.2238 50.7637 -39.9865 50.8063 -39.9864 -7.24838 GPRESSAVG: 651400 -66.084 -42.351 51.9325 -41.7231 51.6848 -41.9828 50.1732 -36.7302 -7.53802 TIMING: 651400 CPU: 2117.59, 0.00315151/step Wall: 2117.59, 0.00315151/step, 3.80685 hours remaining, 230.945312 MB of memory in use. ENERGY: 651400 4020.1729 20305.5342 14625.3853 234.7455 -203421.8418 2432.8297 0.0000 0.0000 52086.1119 -109717.0623 299.3396 -161803.1742 -109348.1963 299.2004 -280.2004 -251.1076 762241.5892 -7.2938 -7.3124 PRESSURE: 651600 58.2021 19.8739 -12.9348 19.8742 640.245 21.4036 -12.9349 21.4037 -111.31 GPRESSURE: 651600 178.291 33.405 66.1877 5.80243 632.02 27.6028 44.1228 65.3449 -144.435 PRESSAVG: 651600 9.51997 9.13675 45.3849 9.13681 -26.2115 1.44327 45.3849 1.44322 12.5979 GPRESSAVG: 651600 9.93647 7.41154 46.7869 9.08587 -27.6069 2.6402 46.2007 1.17116 12.702 TIMING: 651600 CPU: 2118.22, 0.00318044/step Wall: 2118.22, 0.00318043/step, 3.84161 hours remaining, 230.945312 MB of memory in use. ENERGY: 651600 3972.1493 20541.3910 14484.8282 232.0592 -203940.7965 2946.5398 0.0000 0.0000 52010.9462 -109752.8828 298.9076 -161763.8291 -109385.5777 299.1811 195.7122 221.9585 760888.7697 -1.3645 -1.6561 PRESSURE: 651800 -248.627 106.616 -105.376 106.616 107.426 260.55 -105.376 260.551 7.84012 GPRESSURE: 651800 -181.976 203.984 -154.019 143.199 168.759 266.454 -165.752 51.9266 -26.6727 PRESSAVG: 651800 -17.9311 -23.753 24.0978 -23.7529 30.4418 -3.55324 24.0978 -3.55314 10.308 GPRESSAVG: 651800 -16.5317 -23.745 23.6142 -24.0714 29.9015 -5.38938 24.9854 -4.55808 9.22404 TIMING: 651800 CPU: 2118.86, 0.00321047/step Wall: 2118.86, 0.00321047/step, 3.87772 hours remaining, 230.945312 MB of memory in use. ENERGY: 651800 3995.3720 20786.8602 14532.5806 243.0867 -203586.2519 2701.2863 0.0000 0.0000 51939.7657 -109387.3003 298.4985 -161327.0660 -109021.9913 298.8185 -44.4536 -13.2965 760835.2475 7.6063 7.5313 PRESSURE: 652000 11.7337 -137.762 9.41104 -137.762 -225.222 6.30134 9.4115 6.30088 -253.852 GPRESSURE: 652000 -35.1518 -140.133 -50.2919 -16.7083 -200.34 45.9424 2.66721 -54.9759 -156.074 PRESSAVG: 652000 2.92249 -39.3524 50.4957 -39.3524 37.7898 56.3135 50.4956 56.3136 0.930858 GPRESSAVG: 652000 2.37127 -37.7455 49.635 -38.671 38.1244 56.7944 48.7028 56.3793 1.75183 TIMING: 652000 CPU: 2119.51, 0.00325095/step Wall: 2119.51, 0.00325095/step, 3.92643 hours remaining, 230.945312 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: 652000 4012.1401 20632.7220 14536.7566 242.5276 -203479.9824 2607.9164 0.0000 0.0000 51965.3804 -109482.5395 298.6458 -161447.9198 -109113.3528 299.8694 -155.7804 -130.5218 760662.0477 13.8810 14.0825 PRESSURE: 652200 302.855 154.663 53.3346 154.663 78.8762 110.034 53.3335 110.034 10.7706 GPRESSURE: 652200 231.202 99.6514 -11.5337 161.278 137.189 94.3095 132.873 100.783 89.2053 PRESSAVG: 652200 27.4416 14.7092 15.1336 14.7092 0.950986 47.6238 15.1335 47.6238 14.9863 GPRESSAVG: 652200 25.4168 13.5235 14.923 14.0801 2.96135 47.289 14.5874 47.5623 14.8016 TIMING: 652200 CPU: 2120.15, 0.00317153/step Wall: 2120.15, 0.00317153/step, 3.83033 hours remaining, 230.945312 MB of memory in use. ENERGY: 652200 3899.0857 20715.6791 14567.6393 231.9655 -203555.2035 2812.7022 0.0000 0.0000 51914.3456 -109413.7861 298.3525 -161328.1317 -109046.4493 298.8600 130.8339 152.5322 760056.6221 14.4597 14.3933 LDB: ============= START OF LOAD BALANCING ============== 2132.57 LDB: ============== END OF LOAD BALANCING =============== 2132.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2132.58 LDB: ============= START OF LOAD BALANCING ============== 2132.9 LDB: Largest compute 7049 load 0.034449 is 17.7% of average load 0.194935 LDB: Average compute 0.004418 is 2.3% of average load 0.194935 LDB: TIME 2132.9 LOAD: AVG 0.194935 MAX 0.219741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.031 MB LDB: TIME 2132.9 LOAD: AVG 0.194935 MAX 0.219741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.031 MB LDB: TIME 2132.9 LOAD: AVG 0.194935 MAX 0.210778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.031 MB LDB: ============== END OF LOAD BALANCING =============== 2132.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2132.91 PRESSURE: 652400 130.253 15.6035 -53.0538 15.603 -97.3303 107.04 -53.0538 107.041 373.737 GPRESSURE: 652400 257.486 -33.4604 43.6017 -18.8819 -154.99 146.489 -49.161 79.1338 377.606 PRESSAVG: 652400 41.4004 28.8429 0.560282 28.8429 -7.21022 -0.134261 0.560284 -0.134305 6.67439 GPRESSAVG: 652400 42.6358 30.2139 0.712831 28.8313 -9.69698 0.471059 2.3705 -0.347741 7.45559 TIMING: 652400 CPU: 2120.8, 0.00325613/step Wall: 2120.8, 0.00325613/step, 3.93232 hours remaining, 232.097656 MB of memory in use. ENERGY: 652400 3973.0642 20515.3818 14520.1440 247.5348 -203485.8834 2594.2930 0.0000 0.0000 52278.5195 -109356.9462 300.4454 -161635.4656 -108989.9263 299.9789 135.5531 160.0338 760341.0716 13.6215 13.4648 PRESSURE: 652600 212.914 -83.8203 -170.974 -83.8196 -137.773 -195.893 -170.973 -195.891 186.021 GPRESSURE: 652600 261.439 32.1568 -129.015 -20.043 -69.4052 -187.801 76.7313 -127.843 166.598 PRESSAVG: 652600 -2.19311 8.15453 10.3146 8.15449 -11.7254 43.7649 10.3147 43.765 14.1997 GPRESSAVG: 652600 -2.02676 7.78554 9.19269 8.21266 -9.41762 44.0214 13.6026 44.4607 11.9087 TIMING: 652600 CPU: 2121.43, 0.00316389/step Wall: 2121.43, 0.00316389/step, 3.82075 hours remaining, 232.335938 MB of memory in use. ENERGY: 652600 4060.4353 20605.7746 14641.3690 254.2716 -203429.0740 2762.4493 0.0000 0.0000 51819.0201 -109285.7540 297.8046 -161104.7741 -108924.6274 299.8927 87.0538 119.5439 760830.9778 0.0937 0.1548 PRESSURE: 652800 -173.123 -72.5009 202.662 -72.502 -173.927 -76.9084 202.662 -76.9081 -32.7475 GPRESSURE: 652800 -61.8584 -29.7422 60.751 -135.647 -186.841 0.381237 46.9988 -49.2785 -47.7877 PRESSAVG: 652800 -16.3566 -12.8765 4.6119 -12.8764 11.5487 33.9073 4.6119 33.9072 4.3703 GPRESSAVG: 652800 -15.727 -14.8287 6.3061 -11.2804 10.0866 34.0951 0.0471104 33.3179 5.32651 TIMING: 652800 CPU: 2122.06, 0.00315744/step Wall: 2122.06, 0.00315744/step, 3.81279 hours remaining, 232.335938 MB of memory in use. ENERGY: 652800 4035.8560 20475.8982 14591.1368 253.0229 -203331.6039 2543.2859 0.0000 0.0000 52257.4917 -109174.9124 300.3245 -161432.4041 -108802.8174 300.1979 -126.5992 -98.8291 761142.4595 -0.1459 -0.1046 PRESSURE: 653000 -490.206 -151.05 -13.9025 -151.051 182.99 62.291 -13.9025 62.2905 -41.5955 GPRESSURE: 653000 -404.248 -145.101 -103.741 -99.4833 205.573 130.528 15.8925 16.6165 -72.1055 PRESSAVG: 653000 -36.8683 8.84273 -12.102 8.84277 38.7088 -16.805 -12.102 -16.805 -1.48594 GPRESSAVG: 653000 -36.522 9.98468 -14.2221 8.19708 38.7867 -17.8669 -9.16911 -16.6816 -2.1499 TIMING: 653000 CPU: 2122.71, 0.00320691/step Wall: 2122.71, 0.00320691/step, 3.87235 hours remaining, 232.335938 MB of memory in use. ENERGY: 653000 3990.2411 20603.7675 14574.9216 227.1648 -203518.7620 2676.6573 0.0000 0.0000 52041.8374 -109404.1724 299.0852 -161446.0098 -109030.1811 299.9524 -116.2705 -90.2599 761828.5499 0.1182 0.0383 PRESSURE: 653200 -264.023 105.48 154.879 105.479 -167.178 115.441 154.88 115.442 127.673 GPRESSURE: 653200 -233.625 148.437 57.9624 176.985 -192.393 131.779 118.234 120.133 195.524 PRESSAVG: 653200 17.052 -23.358 20.4183 -23.3581 46.4924 33.4137 20.4183 33.4136 7.86359 GPRESSAVG: 653200 16.2713 -21.206 21.6721 -24.4225 47.5663 34.7414 19.3286 31.0629 8.19302 TIMING: 653200 CPU: 2123.33, 0.00313181/step Wall: 2123.33, 0.00313181/step, 3.78149 hours remaining, 232.535156 MB of memory in use. ENERGY: 653200 4008.2576 20483.4834 14553.4748 240.4104 -203524.0127 2604.3086 0.0000 0.0000 52186.7700 -109447.3079 299.9181 -161634.0780 -109082.4392 299.2131 -101.1761 -76.8312 761450.1333 23.8027 24.0102 PRESSURE: 653400 32.6275 -8.8917 57.5642 -8.89183 -44.9174 -176.136 57.5633 -176.137 -663.807 GPRESSURE: 653400 88.0235 22.045 -12.5818 -8.75506 -44.5336 -59.5381 -28.3483 -194.206 -637.009 PRESSAVG: 653400 -20.2856 59.5509 20.8506 59.5509 17.3348 53.6046 20.8507 53.6046 -0.875004 GPRESSAVG: 653400 -20.0187 58.7289 19.0479 59.861 17.4541 52.8977 22.3184 56.4587 -1.05449 TIMING: 653400 CPU: 2123.96, 0.00316281/step Wall: 2123.96, 0.00316281/step, 3.81874 hours remaining, 232.535156 MB of memory in use. ENERGY: 653400 3966.0510 20665.4887 14494.1620 245.6389 -203567.0992 2485.1797 0.0000 0.0000 52395.7443 -109314.8346 301.1191 -161710.5789 -108941.3912 299.6095 -225.3657 -197.8397 761847.7634 -1.2753 -1.2064 PRESSURE: 653600 337.31 187.96 -20.4079 187.959 93.1382 59.4967 -20.4093 59.4975 -54.4375 GPRESSURE: 653600 319.954 22.1553 -27.771 218.116 140.583 53.6827 33.1804 10.4869 20.5312 PRESSAVG: 653600 -5.51151 -26.8985 10.0281 -26.8985 -5.65488 -17.2506 10.0282 -17.2506 6.69479 GPRESSAVG: 653600 -5.31652 -28.4868 11.6619 -25.6648 -6.35816 -17.1198 9.03863 -17.9698 7.51774 TIMING: 653600 CPU: 2124.6, 0.00317637/step Wall: 2124.6, 0.00317637/step, 3.83494 hours remaining, 232.535156 MB of memory in use. ENERGY: 653600 3937.3724 20551.0999 14420.5109 250.5374 -203880.7229 3060.4800 0.0000 0.0000 52237.6207 -109423.1016 300.2103 -161660.7223 -109061.3959 299.6419 125.3370 160.3560 760998.0964 -1.4905 -1.3856 PRESSURE: 653800 340.652 -445.448 21.2176 -445.449 -211.08 -120.732 21.2183 -120.731 -148.399 GPRESSURE: 653800 305.022 -399.545 -21.0341 -330.278 -153.596 -132.238 70.6443 -25.6784 -72.0474 PRESSAVG: 653800 36.3931 -43.3373 4.15951 -43.3372 -30.3839 29.5069 4.1595 29.5069 -1.61474 GPRESSAVG: 653800 36.0896 -42.3419 3.89552 -43.1974 -30.606 29.9848 3.57797 29.7616 -1.11406 TIMING: 653800 CPU: 2125.24, 0.00317504/step Wall: 2125.24, 0.00317504/step, 3.83316 hours remaining, 232.535156 MB of memory in use. ENERGY: 653800 3935.5377 20656.1987 14439.4586 262.2443 -203518.9666 2621.5168 0.0000 0.0000 52107.2821 -109496.7284 299.4613 -161604.0105 -109121.2939 299.2622 -6.2754 26.4597 759343.5129 1.4648 1.4565 PRESSURE: 654000 -462.109 116.976 263.666 116.975 215.482 28.2746 263.666 28.2744 -158.858 GPRESSURE: 654000 -394.608 10.2709 107.393 61.0226 215.759 75.6861 147.778 57.3382 -140.903 PRESSAVG: 654000 5.37531 -11.4803 23.2648 -11.4804 19.7191 9.43306 23.2648 9.43307 -14.9422 GPRESSAVG: 654000 6.33474 -12.0247 23.006 -11.9422 18.664 7.64116 23.8109 7.7973 -15.0315 TIMING: 654000 CPU: 2125.87, 0.0031857/step Wall: 2125.87, 0.0031857/step, 3.84585 hours remaining, 232.535156 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: 654000 4046.8813 20866.2970 14516.1394 260.1339 -203515.2191 2519.3146 0.0000 0.0000 51856.2005 -109450.2523 298.0183 -161306.4528 -109087.6673 299.4368 -135.1619 -106.5839 760978.2957 3.3841 3.3224 PRESSURE: 654200 0.840595 8.11112 107.045 8.1108 -152.35 298.558 107.043 298.558 -231.252 GPRESSURE: 654200 -30.3222 -9.55123 84.4932 -37.7889 -72.9529 334.711 -20.3705 280.91 -208.533 PRESSAVG: 654200 23.5852 7.75058 -36.5747 7.75061 -6.03317 20.1462 -36.5747 20.1462 -15.7458 GPRESSAVG: 654200 21.228 7.73706 -36.498 5.81199 -4.13618 21.0455 -39.959 21.6234 -16.0392 TIMING: 654200 CPU: 2126.52, 0.00321965/step Wall: 2126.52, 0.00321965/step, 3.88665 hours remaining, 232.535156 MB of memory in use. ENERGY: 654200 4039.9286 20724.6610 14505.1528 252.3434 -203217.0005 2302.6038 0.0000 0.0000 52256.2547 -109136.0562 300.3174 -161392.3108 -108770.9699 300.0028 -127.5870 -103.9359 761299.4188 0.6021 0.3509 PRESSURE: 654400 -293.553 277.728 -2.91622 277.727 -2.06263 29.2422 -2.91572 29.2424 -106.918 GPRESSURE: 654400 -167.086 312.204 -8.83511 336.454 -5.59834 54.3836 118.547 163.587 -137.245 PRESSAVG: 654400 -21.6006 13.2761 -12.1744 13.2761 41.09 14.1038 -12.1744 14.1038 13.402 GPRESSAVG: 654400 -21.2924 13.1567 -11.5249 17.3963 40.0371 14.2911 -10.4281 14.4007 14.3271 TIMING: 654400 CPU: 2127.17, 0.00324676/step Wall: 2127.17, 0.00324676/step, 3.9192 hours remaining, 232.535156 MB of memory in use. ENERGY: 654400 4000.6905 20606.9126 14465.8718 236.8553 -203111.9657 2455.4095 0.0000 0.0000 52534.7439 -108811.4821 301.9179 -161346.2260 -108440.5470 300.5531 -134.1779 -103.3099 763263.7386 10.9638 11.0239 PRESSURE: 654600 261.261 120.577 -10.8154 120.576 46.5352 -23.078 -10.8153 -23.0778 -79.4465 GPRESSURE: 654600 314.402 -32.7928 -91.0382 81.0365 37.6902 30.41 38.6472 -64.568 -31.4327 PRESSAVG: 654600 -8.74076 35.2335 -20.6561 35.2335 -35.1247 -17.0548 -20.6561 -17.0549 5.50471 GPRESSAVG: 654600 -7.4921 34.9829 -21.3178 31.8916 -35.3674 -16.431 -21.5858 -18.4981 4.97816 TIMING: 654600 CPU: 2127.8, 0.00319173/step Wall: 2127.8, 0.00319173/step, 3.8526 hours remaining, 232.535156 MB of memory in use. ENERGY: 654600 4028.2172 20641.8089 14471.5325 251.4245 -203280.3689 2569.5441 0.0000 0.0000 52319.5818 -108998.2598 300.6814 -161317.8416 -108642.6216 300.7362 76.1165 106.8865 761967.9297 -12.7869 -12.6271 PRESSURE: 654800 238.125 21.7485 138.936 21.7483 -58.7791 -9.41889 138.936 -9.4192 179.268 GPRESSURE: 654800 259.622 92.22 87.7546 67.6126 9.82975 -84.3301 106.183 104.405 186.322 PRESSAVG: 654800 44.193 -18.491 -78.7333 -18.4911 -30.8969 -8.3089 -78.7333 -8.30886 -13.9674 GPRESSAVG: 654800 43.6025 -17.6546 -78.3969 -18.4023 -30.158 -8.29587 -76.1797 -7.17567 -13.8229 TIMING: 654800 CPU: 2128.45, 0.00323183/step Wall: 2128.45, 0.00323183/step, 3.90082 hours remaining, 232.535156 MB of memory in use. ENERGY: 654800 3927.3485 20656.5434 14425.3255 260.8422 -203286.5402 2557.2165 0.0000 0.0000 52299.4877 -109159.7764 300.5659 -161459.2641 -108815.4780 299.7713 119.5380 151.9244 760330.4406 -0.2237 -0.1261 PRESSURE: 655000 201.397 72.8107 71.7843 72.8099 -10.7078 94.1558 71.7844 94.1559 56.0073 GPRESSURE: 655000 202.968 88.5204 116.642 67.2558 24.799 169.985 152.154 86.656 104.469 PRESSAVG: 655000 24.9317 -18.0538 2.141 -18.0539 -16.9026 26.9481 2.14094 26.9482 -19.6348 GPRESSAVG: 655000 24.3685 -17.805 1.40937 -16.056 -17.3304 25.1709 1.66392 29.5679 -18.7284 TIMING: 655000 CPU: 2129.1, 0.00323083/step Wall: 2129.1, 0.00323083/step, 3.89944 hours remaining, 232.535156 MB of memory in use. ENERGY: 655000 4071.6891 20587.2084 14590.3965 233.3143 -203388.0235 2772.7915 0.0000 0.0000 52003.5634 -109129.0603 298.8652 -161132.6237 -108767.8989 300.0880 82.2322 110.7454 762042.6397 -3.8686 -3.8968 PRESSURE: 655200 -129.633 -209.588 -122.523 -209.587 89.7442 280.591 -122.523 280.59 116.02 GPRESSURE: 655200 -151.86 -313.956 -24.3674 -251.509 147.718 249.099 -173.637 274.264 168.472 PRESSAVG: 655200 -28.6794 -11.6527 22.5491 -11.6527 29.454 18.7437 22.5491 18.7437 2.38403 GPRESSAVG: 655200 -28.452 -13.7365 23.9911 -15.3853 29.1985 20.6593 21.941 15.3231 1.82738 TIMING: 655200 CPU: 2129.74, 0.00320967/step Wall: 2129.74, 0.00320967/step, 3.87371 hours remaining, 232.535156 MB of memory in use. ENERGY: 655200 4011.0379 20642.7733 14415.5198 239.5766 -203215.7568 2611.2477 0.0000 0.0000 52172.9928 -109122.6086 299.8389 -161295.6014 -108760.7139 299.9233 25.3772 54.7764 761118.9706 1.0529 0.8580 PRESSURE: 655400 -226.594 -35.8177 227.263 -35.8173 80.9556 -19.8875 227.264 -19.8875 -230.21 GPRESSURE: 655400 -143.409 -181.228 177.599 55.2335 135.753 12.9856 82.821 19.5173 -273.665 PRESSAVG: 655400 10.7664 22.2264 -34.5335 22.2264 -4.62791 18.3258 -34.5335 18.3259 10.4709 GPRESSAVG: 655400 11.5935 24.2003 -37.4536 22.0946 -4.42177 17.8472 -32.9866 18.1808 9.50337 TIMING: 655400 CPU: 2130.39, 0.00325125/step Wall: 2130.39, 0.00325125/step, 3.92372 hours remaining, 232.535156 MB of memory in use. ENERGY: 655400 3940.9467 20547.4530 14425.0924 247.7757 -202822.1303 2386.7415 0.0000 0.0000 52146.0547 -109128.0663 299.6841 -161274.1210 -108773.5249 300.2010 -125.2830 -93.7735 761808.6777 5.5365 5.5584 PRESSURE: 655600 -148.866 -13.0968 -58.6847 -13.0964 -104.483 108.288 -58.6855 108.29 30.0828 GPRESSURE: 655600 -205.66 26.2565 -152.715 -29.2741 -31.4687 92.433 10.1476 154.47 93.0641 PRESSAVG: 655600 17.136 -18.8885 -5.51394 -18.8884 -8.91871 18.9023 -5.51394 18.9023 -20.4337 GPRESSAVG: 655600 16.2597 -20.3537 -3.70242 -16.6522 -7.58791 18.6253 -6.20977 18.3886 -20.8492 TIMING: 655600 CPU: 2131.03, 0.00320905/step Wall: 2131.03, 0.00320905/step, 3.87261 hours remaining, 232.535156 MB of memory in use. ENERGY: 655600 3991.3608 20403.0216 14558.2934 266.2615 -203237.6755 2402.6959 0.0000 0.0000 52297.9365 -109318.1058 300.5570 -161616.0423 -108958.7697 299.6305 -74.4220 -48.0215 760885.7972 -4.0721 -4.0591 PRESSURE: 655800 -77.4435 -83.0671 18.049 -83.066 -189.806 7.16907 18.0487 7.16899 484.205 GPRESSURE: 655800 -46.5296 -48.0722 -0.220468 -34.0906 -65.424 39.7767 -2.12854 177.088 437.088 PRESSAVG: 655800 0.27543 20.1948 -21.885 20.1948 15.3624 -24.3099 -21.885 -24.31 -35.258 GPRESSAVG: 655800 -0.184765 21.045 -22.6377 19.3884 15.354 -24.2652 -22.8161 -23.1941 -34.1426 TIMING: 655800 CPU: 2131.67, 0.00320245/step Wall: 2131.67, 0.00320245/step, 3.86447 hours remaining, 232.535156 MB of memory in use. ENERGY: 655800 4023.2721 20668.5628 14494.6329 238.7000 -203155.6464 2558.2687 0.0000 0.0000 52033.3229 -109138.8870 299.0362 -161172.2099 -108792.7054 300.1089 72.3187 108.3782 759946.1086 -6.5401 -6.3244 PRESSURE: 656000 55.5754 116.637 -55.8066 116.637 344.639 128.594 -55.806 128.593 38.3392 GPRESSURE: 656000 100.434 -29.227 8.50435 50.8459 298.117 61.5249 -42.8652 -57.7334 121.068 PRESSAVG: 656000 19.1422 0.393304 -25.923 0.393322 -82.4218 -37.2311 -25.923 -37.231 6.42142 GPRESSAVG: 656000 20.0253 0.769054 -24.8723 1.27306 -82.9383 -37.0396 -26.0081 -41.0734 6.02043 TIMING: 656000 CPU: 2132.31, 0.00319892/step Wall: 2132.31, 0.00319892/step, 3.86003 hours remaining, 232.535156 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: 656000 3998.5017 20543.6616 14458.5980 245.7736 -203276.5549 2869.5399 0.0000 0.0000 52029.6854 -109130.7947 299.0153 -161160.4801 -108774.5556 299.7347 146.1846 173.2062 761544.9321 -18.9527 -18.9642 PRESSURE: 656200 215.652 83.43 43.4547 83.4293 -64.8795 184.454 43.4557 184.455 -47.0401 GPRESSURE: 656200 204.735 52.2532 20.7041 -62.0109 -61.926 166.617 -39.8392 271.913 47.6729 PRESSAVG: 656200 48.6689 -21.1071 -28.0961 -21.1072 -23.3319 64.9161 -28.0961 64.9161 3.61583 GPRESSAVG: 656200 47.0834 -22.6268 -28.2632 -21.0698 -23.8954 65.317 -27.7957 68.335 5.36722 TIMING: 656200 CPU: 2132.95, 0.00321584/step Wall: 2132.95, 0.00321584/step, 3.88027 hours remaining, 232.535156 MB of memory in use. ENERGY: 656200 4003.0599 20550.6998 14526.9166 273.2768 -203399.3281 2753.3844 0.0000 0.0000 52058.5279 -109233.4627 299.1811 -161291.9906 -108870.0149 299.8526 34.5775 63.4940 760565.9789 9.6509 9.5184 LDB: ============= START OF LOAD BALANCING ============== 2145.38 LDB: ============== END OF LOAD BALANCING =============== 2145.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2145.38 LDB: ============= START OF LOAD BALANCING ============== 2145.71 LDB: Largest compute 7025 load 0.035805 is 18.4% of average load 0.194915 LDB: Average compute 0.004388 is 2.3% of average load 0.194915 LDB: TIME 2145.71 LOAD: AVG 0.194915 MAX 0.211312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.617 MB LDB: TIME 2145.71 LOAD: AVG 0.194915 MAX 0.211312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: TIME 2145.71 LOAD: AVG 0.194915 MAX 0.211312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: ============== END OF LOAD BALANCING =============== 2145.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2145.72 PRESSURE: 656400 138.584 -305.805 182.365 -305.804 -11.5194 -20.0969 182.364 -20.0966 -15.361 GPRESSURE: 656400 275.728 -254.308 124.248 -299.927 -37.3155 -40.8454 155.447 4.62993 -29.7024 PRESSAVG: 656400 -7.95961 -13.8307 23.7343 -13.8308 34.4897 -7.03273 23.7343 -7.03282 14.6099 GPRESSAVG: 656400 -6.65738 -13.6807 23.2172 -14.3104 35.6496 -7.75468 22.7955 -7.63025 11.8713 TIMING: 656400 CPU: 2133.61, 0.00329005/step Wall: 2133.61, 0.00329005/step, 3.96963 hours remaining, 231.417969 MB of memory in use. ENERGY: 656400 3889.7600 20512.6700 14477.7314 262.3260 -203051.6501 2155.1481 0.0000 0.0000 52219.5643 -109534.4504 300.1066 -161754.0147 -109164.9547 299.3356 37.2346 69.5702 760540.0693 13.7133 13.6212 PRESSURE: 656600 314.687 10.5296 -18.0839 10.5294 6.75654 -29.04 -18.0825 -29.0413 112.957 GPRESSURE: 656600 404.176 92.369 12.7456 -14.7609 35.4859 -1.26158 -71.0749 11.7326 76.4716 PRESSAVG: 656600 21.5283 -4.34089 8.54028 -4.34086 -33.6568 9.39958 8.54027 9.39955 -28.7979 GPRESSAVG: 656600 20.747 -2.75574 8.11807 -5.32152 -35.1942 9.40864 9.90706 9.48968 -27.1076 TIMING: 656600 CPU: 2134.26, 0.00322463/step Wall: 2134.26, 0.00322463/step, 3.89051 hours remaining, 231.621094 MB of memory in use. ENERGY: 656600 3903.6281 20627.5596 14535.4608 251.1842 -203488.0060 2570.5736 0.0000 0.0000 52235.0983 -109364.5014 300.1958 -161599.5997 -109006.0367 299.5675 144.8001 172.0446 760194.4364 -13.6421 -13.8516 PRESSURE: 656800 -284.918 93.6026 -109.81 93.6041 -291.751 6.76959 -109.81 6.76943 -183.156 GPRESSURE: 656800 -241.896 116.467 -155.874 -12.0432 -164.088 -19.65 -84.3306 15.4045 -255.876 PRESSAVG: 656800 22.5414 -41.8149 -38.6903 -41.8148 -52.8289 21.6391 -38.6905 21.6392 -1.99466 GPRESSAVG: 656800 22.1037 -42.3139 -39.4632 -40.5655 -51.953 23.1731 -37.0776 20.3163 -2.34285 TIMING: 656800 CPU: 2134.9, 0.00322574/step Wall: 2134.9, 0.00322574/step, 3.89167 hours remaining, 231.820312 MB of memory in use. ENERGY: 656800 3932.8771 20409.0975 14500.4699 240.4712 -202755.7188 2085.2514 0.0000 0.0000 52201.4638 -109386.0879 300.0025 -161587.5517 -109009.8858 299.5903 -253.2749 -220.6199 762950.3236 -10.7607 -10.7307 PRESSURE: 657000 -209.695 -109.802 -15.2564 -109.801 -296.409 -190.767 -15.2556 -190.767 173.474 GPRESSURE: 657000 -205.559 -58.3863 17.0762 -219.647 -193.32 -119.727 -124.001 -244.155 134.866 PRESSAVG: 657000 28.1741 -39.3875 -46.6349 -39.3875 -8.52598 -38.518 -46.6349 -38.518 -8.90628 GPRESSAVG: 657000 27.5247 -40.7133 -43.7479 -40.1076 -8.31244 -38.1933 -50.1202 -37.1735 -8.45773 TIMING: 657000 CPU: 2135.55, 0.00323614/step Wall: 2135.55, 0.00323614/step, 3.90404 hours remaining, 231.820312 MB of memory in use. ENERGY: 657000 4004.3912 20743.3278 14568.2880 231.0092 -203053.8282 2524.6862 0.0000 0.0000 51701.1521 -109280.9737 297.1272 -160982.1258 -108931.8275 299.4985 -110.8766 -88.0045 760986.3911 3.5806 3.5849 PRESSURE: 657200 -20.7959 139.584 -85.2385 139.584 26.1311 -182.15 -85.2384 -182.15 -82.9196 GPRESSURE: 657200 31.0034 116.348 -84.6886 148.091 86.2805 -13.7901 55.5273 -204.055 -106.367 PRESSAVG: 657200 15.712 -4.62511 -17.2377 -4.62507 -22.1556 -26.1557 -17.2377 -26.1557 10.661 GPRESSAVG: 657200 15.9288 -2.44117 -19.6234 -4.27965 -21.2863 -26.7295 -16.6747 -26.1165 9.65693 TIMING: 657200 CPU: 2136.19, 0.00322651/step Wall: 2136.19, 0.00322651/step, 3.89225 hours remaining, 231.820312 MB of memory in use. ENERGY: 657200 3991.0705 20542.3336 14454.7327 231.3642 -203096.4070 2643.8078 0.0000 0.0000 51840.9400 -109392.1581 297.9306 -161233.0981 -109035.9757 299.4781 -25.8615 3.6390 761108.8927 1.4058 1.4331 PRESSURE: 657400 -105.922 -142.454 -102.761 -142.454 -91.9231 -87.3816 -102.761 -87.381 -206.713 GPRESSURE: 657400 24.4405 -130.535 -129.746 -173.504 -205.803 20.2206 -214.426 -49.53 -137.747 PRESSAVG: 657400 31.4025 -31.1302 -21.4652 -31.1301 -17.0988 -45.8023 -21.4652 -45.8023 -19.4215 GPRESSAVG: 657400 31.6046 -30.6801 -20.4059 -31.8767 -18.207 -45.332 -21.0984 -45.8582 -19.012 TIMING: 657400 CPU: 2136.84, 0.00320282/step Wall: 2136.84, 0.00320282/step, 3.86349 hours remaining, 231.820312 MB of memory in use. ENERGY: 657400 3882.5059 20586.4294 14498.9805 239.6272 -202881.5795 2218.2695 0.0000 0.0000 52076.6830 -109379.0840 299.2854 -161455.7670 -109011.1914 299.0303 -134.8529 -106.3698 761357.4897 -1.7059 -1.8714 PRESSURE: 657600 -16.566 136.484 -138.564 136.484 128.67 74.0621 -138.564 74.0624 -430.491 GPRESSURE: 657600 66.8943 97.4543 -175.058 117.535 156.195 65.4735 -251.216 -44.067 -459.938 PRESSAVG: 657600 83.2338 -109.1 -89.4134 -109.1 -107.358 -7.80258 -89.4133 -7.8026 -26.027 GPRESSAVG: 657600 83.2983 -111.695 -89.905 -108.191 -107.346 -7.30174 -88.2871 -8.09928 -26.1543 TIMING: 657600 CPU: 2137.48, 0.0032395/step Wall: 2137.48, 0.0032395/step, 3.90756 hours remaining, 231.820312 MB of memory in use. ENERGY: 657600 3996.4111 20470.8060 14518.5198 260.5708 -203199.3382 2605.0252 0.0000 0.0000 51925.5804 -109422.4248 298.4170 -161348.0052 -109061.5608 299.0182 -106.1288 -78.9496 761142.0550 -16.7171 -16.7339 PRESSURE: 657800 252.028 21.2079 -121.642 21.2077 1.84172 -259.501 -121.641 -259.503 -101.584 GPRESSURE: 657800 265.544 23.8659 6.12779 45.992 -6.60487 -320.026 -148.504 -331.324 -27.7679 PRESSAVG: 657800 2.25211 -47.7815 -54.9974 -47.7815 16.8247 13.3006 -54.9974 13.3007 -5.90084 GPRESSAVG: 657800 1.89855 -46.133 -53.8362 -51.0389 15.9077 11.8938 -55.9531 11.8312 -4.75875 TIMING: 657800 CPU: 2138.13, 0.00323303/step Wall: 2138.13, 0.00323303/step, 3.89957 hours remaining, 231.820312 MB of memory in use. ENERGY: 657800 3964.8823 20560.8517 14427.6728 254.6372 -203244.9009 2432.6174 0.0000 0.0000 52098.4169 -109505.8226 299.4103 -161604.2394 -109140.8611 299.2829 50.7618 77.0570 759921.5916 4.3920 4.3492 PRESSURE: 658000 298.106 111.22 -266.951 111.221 40.0174 -167.581 -266.951 -167.581 34.7398 GPRESSURE: 658000 347.574 191.011 -244.642 43.7817 121.55 -106.921 -240.442 -125.03 -14.9531 PRESSAVG: 658000 46.2197 -61.9265 -63.8087 -61.9264 -21.8138 41.2392 -63.8086 41.2392 -3.98743 GPRESSAVG: 658000 46.3656 -62.2655 -65.5953 -58.7624 -22.3624 41.711 -63.067 40.192 -3.46599 TIMING: 658000 CPU: 2138.78, 0.00323662/step Wall: 2138.78, 0.00323662/step, 3.90373 hours remaining, 231.820312 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: 658000 3971.6361 20329.1511 14557.3713 271.9644 -203587.6396 2840.5483 0.0000 0.0000 52111.1094 -109505.8591 299.4833 -161616.9684 -109147.3896 299.1722 124.2877 151.3901 760891.2119 6.8062 6.8457 PRESSURE: 658200 600.987 -5.7817 -81.2504 -5.78163 33.7179 193.233 -81.2507 193.234 -13.9286 GPRESSURE: 658200 541.636 -124.292 -86.863 -76.0763 124.347 183.955 -81.0028 95.396 54.3559 PRESSAVG: 658200 18.7428 -47.0986 -63.3274 -47.0986 -40.0366 24.0216 -63.3274 24.0217 17.4765 GPRESSAVG: 658200 18.3027 -45.7218 -63.1017 -48.598 -38.727 22.9497 -62.011 25.2878 16.5601 TIMING: 658200 CPU: 2139.43, 0.00324509/step Wall: 2139.43, 0.00324509/step, 3.91376 hours remaining, 231.820312 MB of memory in use. ENERGY: 658200 3952.5200 20631.9074 14479.9076 241.9844 -203546.2786 2771.5606 0.0000 0.0000 51960.9241 -109507.4746 298.6201 -161468.3987 -109152.2438 299.3623 206.9253 240.1130 761157.7352 -1.2724 -1.2881 PRESSURE: 658400 -254.407 -91.5087 -63.0224 -91.5095 -204.008 53.4632 -63.0233 53.4627 -161.107 GPRESSURE: 658400 -291.195 -71.3747 8.38509 -170.67 -69.688 78.7955 -116.01 95.2001 -143.351 PRESSAVG: 658400 -9.66996 -21.3375 -5.87319 -21.3375 -37.5448 59.409 -5.87321 59.409 -37.9752 GPRESSAVG: 658400 -8.86401 -24.2901 -3.02176 -18.723 -37.8407 60.6653 -8.32471 60.1412 -38.3512 TIMING: 658400 CPU: 2140.07, 0.00323212/step Wall: 2140.07, 0.00323212/step, 3.89794 hours remaining, 231.820312 MB of memory in use. ENERGY: 658400 4007.2186 20281.9330 14535.3767 279.9195 -203134.4694 2409.5179 0.0000 0.0000 52169.1379 -109451.3659 299.8168 -161620.5037 -109078.9429 299.2993 -206.5075 -168.0780 760705.1080 -28.3966 -28.3520 PRESSURE: 658600 137.647 23.631 87.0649 23.6305 -302.307 -150.435 87.0659 -150.435 310.73 GPRESSURE: 658600 147.962 -81.6428 88.8837 182.726 -254.05 -87.9517 153.613 -148.71 334.856 PRESSAVG: 658600 51.8118 -51.384 60.8931 -51.3841 -43.4614 2.76926 60.8931 2.76929 -3.42643 GPRESSAVG: 658600 50.6779 -51.8244 59.2691 -52.1428 -43.4121 2.18976 63.1582 0.541228 -3.19315 TIMING: 658600 CPU: 2140.71, 0.00319985/step Wall: 2140.71, 0.00319985/step, 3.85884 hours remaining, 231.796875 MB of memory in use. ENERGY: 658600 3979.0262 20397.8655 14474.0817 250.7721 -203101.4843 2584.3005 0.0000 0.0000 52251.7546 -109163.6836 300.2916 -161415.4382 -108808.6278 299.4438 48.6899 76.2558 762516.6528 1.6413 1.3576 PRESSURE: 658800 -50.9646 -15.3634 -99.0053 -15.363 -373.271 124.172 -99.0057 124.172 -448.449 GPRESSURE: 658800 -100.563 166.669 -90.9212 -2.13439 -329.708 34.2894 -82.2218 178.057 -375.743 PRESSAVG: 658800 -1.34658 -21.0358 -18.6252 -21.0357 -45.9726 9.08385 -18.6253 9.08386 6.26897 GPRESSAVG: 658800 -1.85187 -19.7341 -17.7417 -21.7201 -45.5402 8.54415 -18.4896 11.4885 6.36347 TIMING: 658800 CPU: 2141.35, 0.0031945/step Wall: 2141.35, 0.0031945/step, 3.85221 hours remaining, 231.796875 MB of memory in use. ENERGY: 658800 3929.9815 20475.5405 14513.2532 234.9530 -202783.4861 2326.5334 0.0000 0.0000 52044.2122 -109259.0122 299.0988 -161303.2244 -108893.2696 299.9756 -290.8949 -268.6715 764007.0390 -13.6834 -13.6762 PRESSURE: 659000 -34.3399 -36.8876 6.22284 -36.888 13.5455 -197.738 6.22293 -197.738 148.151 GPRESSURE: 659000 90.7186 -179.867 48.7761 -38.4232 -68.2407 -288.16 20.5631 -139.127 209.597 PRESSAVG: 659000 42.0388 -28.8904 -10.4464 -28.8904 -11.7028 -21.6592 -10.4464 -21.6592 -6.34356 GPRESSAVG: 659000 43.3359 -28.3778 -11.8091 -28.7065 -12.437 -21.0077 -12.2371 -21.2941 -6.03746 TIMING: 659000 CPU: 2141.98, 0.00316564/step Wall: 2141.98, 0.00316564/step, 3.81724 hours remaining, 231.796875 MB of memory in use. ENERGY: 659000 3954.5775 20546.7718 14463.0651 269.6603 -203327.9712 2643.6783 0.0000 0.0000 52099.0388 -109351.1792 299.4139 -161450.2180 -108997.4552 299.2520 42.4522 77.3584 761467.3304 7.9975 8.2872 PRESSURE: 659200 40.7166 -33.4679 10.4223 -33.4683 -219.31 57.7865 10.4227 57.7862 -307.788 GPRESSURE: 659200 154.887 104.067 43.7901 3.45898 -243.387 4.44019 15.2005 293.462 -320.459 PRESSAVG: 659200 19.14 -64.3299 6.44521 -64.3299 -11.7584 -0.649402 6.44523 -0.649347 -8.15563 GPRESSAVG: 659200 20.6266 -65.0955 8.13953 -65.761 -12.8913 -2.13762 6.62769 -1.40633 -9.12682 TIMING: 659200 CPU: 2142.62, 0.00320229/step Wall: 2142.62, 0.00320229/step, 3.86125 hours remaining, 231.820312 MB of memory in use. ENERGY: 659200 4001.4939 20530.4291 14404.1455 245.6154 -203353.3559 2551.1230 0.0000 0.0000 52329.5953 -109290.9536 300.7389 -161620.5489 -108925.2500 299.4330 -162.1273 -136.3199 761818.9401 -0.2580 -0.4638 PRESSURE: 659400 100.975 -112.149 -105.998 -112.149 116.898 -88.9788 -105.997 -88.979 73.6549 GPRESSURE: 659400 118.537 -108.607 -95.1162 -109.551 179.91 -46.7964 -62.3325 -46.9683 82.2971 PRESSAVG: 659400 7.12427 -47.993 -13.519 -47.9931 -8.66386 -10.0929 -13.5189 -10.0929 -5.24547 GPRESSAVG: 659400 6.32742 -46.3669 -14.6928 -48.2558 -8.34372 -10.2914 -13.5952 -11.0242 -5.18165 TIMING: 659400 CPU: 2143.26, 0.00319069/step Wall: 2143.26, 0.00319069/step, 3.84709 hours remaining, 231.820312 MB of memory in use. ENERGY: 659400 3986.8807 20529.1266 14488.3345 245.6923 -202996.3334 2661.8371 0.0000 0.0000 52134.0862 -108950.3759 299.6153 -161084.4621 -108601.1150 300.0151 97.1761 126.9146 760578.7022 -2.2617 -2.3993 PRESSURE: 659600 -216.421 52.0613 -95.4265 52.0615 16.8895 215.813 -95.4261 215.812 76.6386 GPRESSURE: 659600 -190.326 127.669 -149.708 -84.6292 15.9288 302.42 -110.925 175.666 126.351 PRESSAVG: 659600 -50.9381 -47.3634 1.14156 -47.3634 82.2078 5.92538 1.14163 5.92541 -24.698 GPRESSAVG: 659600 -51.0377 -48.9782 0.441468 -47.8302 82.5216 6.50794 2.88733 6.40934 -24.3153 TIMING: 659600 CPU: 2143.9, 0.00318401/step Wall: 2143.9, 0.00318401/step, 3.83885 hours remaining, 231.820312 MB of memory in use. ENERGY: 659600 4024.0627 20575.3741 14546.8986 250.6343 -202864.9180 2350.4627 0.0000 0.0000 52147.5486 -108969.9370 299.6927 -161117.4856 -108610.1296 300.3616 -40.9642 -16.0155 761413.8008 2.1906 2.3895 PRESSURE: 659800 -147.807 -40.2689 -89.4117 -40.2691 -122.449 -89.2694 -89.4125 -89.2691 72.0318 GPRESSURE: 659800 -103.383 35.1267 -57.9275 18.1519 -109.98 -207.155 -75.6072 85.0512 95.0182 PRESSAVG: 659800 -14.3622 -24.7419 -3.87294 -24.7419 6.07896 15.6857 -3.87287 15.6857 -5.19543 GPRESSAVG: 659800 -15.0715 -24.5444 -0.643687 -24.191 6.73609 14.5137 -6.13999 17.1596 -5.24252 TIMING: 659800 CPU: 2144.54, 0.0031951/step Wall: 2144.54, 0.0031951/step, 3.85204 hours remaining, 231.820312 MB of memory in use. ENERGY: 659800 3971.5178 20478.8383 14454.0204 254.0725 -203187.0429 2754.2689 0.0000 0.0000 52165.0490 -109109.2760 299.7933 -161274.3250 -108746.1748 300.0429 -66.0747 -39.4483 762156.0299 -4.4929 -4.5260 PRESSURE: 660000 -49.0055 -178.092 -113.058 -178.092 -289.483 -63.8582 -113.058 -63.8575 33.2195 GPRESSURE: 660000 20.3308 -87.5178 -75.9367 -147.806 -262.62 65.4748 6.42009 -159.655 22.1216 PRESSAVG: 660000 -15.6708 -36.9035 0.350267 -36.9034 0.365492 -15.5706 0.350302 -15.5706 -1.01449 GPRESSAVG: 660000 -15.851 -37.68 -1.31573 -37.1993 -1.07132 -15.3514 2.76748 -18.6398 0.0070119 TIMING: 660000 CPU: 2145.17, 0.00315278/step Wall: 2145.17, 0.00315278/step, 3.80086 hours remaining, 231.820312 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: 660000 4034.7272 20773.6602 14473.3598 250.2177 -203304.0143 2704.7608 0.0000 0.0000 52155.6998 -108911.5888 299.7395 -161067.2885 -108558.6040 299.9048 -101.7564 -73.3893 761890.1996 -5.4399 -5.6384 PRESSURE: 660200 -224.479 -34.7423 109.084 -34.7411 -54.9909 -253.325 109.084 -253.325 -221.913 GPRESSURE: 660200 -195.897 -152.157 17.5228 0.947167 2.84469 -224.75 19.2881 -232.944 -221.751 PRESSAVG: 660200 -16.2732 -50.8689 -16.063 -50.8688 33.0662 -20.2889 -16.0631 -20.2889 11.4768 GPRESSAVG: 660200 -15.9002 -50.5292 -16.7124 -47.848 33.2383 -18.9123 -19.1176 -18.5118 10.772 TIMING: 660200 CPU: 2145.8, 0.00315736/step Wall: 2145.8, 0.00315736/step, 3.8062 hours remaining, 231.820312 MB of memory in use. ENERGY: 660200 4047.4432 20703.5913 14471.1562 240.6357 -203171.9470 2385.7412 0.0000 0.0000 52287.3840 -109035.9953 300.4963 -161323.3793 -108668.4704 300.5577 -167.1278 -138.2675 761421.5796 9.4233 9.3700 LDB: ============= START OF LOAD BALANCING ============== 2158.23 LDB: ============== END OF LOAD BALANCING =============== 2158.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2158.23 LDB: ============= START OF LOAD BALANCING ============== 2158.55 LDB: Largest compute 7025 load 0.035452 is 18.2% of average load 0.195112 LDB: Average compute 0.004390 is 2.3% of average load 0.195112 LDB: TIME 2158.55 LOAD: AVG 0.195112 MAX 0.213404 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.375 MB LDB: TIME 2158.55 LOAD: AVG 0.195112 MAX 0.213404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.574 MB LDB: TIME 2158.55 LOAD: AVG 0.195112 MAX 0.213404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.574 MB LDB: ============== END OF LOAD BALANCING =============== 2158.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2158.56 PRESSURE: 660400 -37.1467 8.5893 -40.6329 8.58998 -257.302 7.12407 -40.6336 7.12341 127.442 GPRESSURE: 660400 -37.5464 -42.5993 11.8633 -52.9493 -140.032 -22.8414 44.3167 60.397 94.4552 PRESSAVG: 660400 -7.62881 -4.35126 -25.5025 -4.35122 38.6288 0.96904 -25.5025 0.968944 30.1173 GPRESSAVG: 660400 -8.06696 -3.30859 -25.6176 -6.28258 39.7253 0.97967 -22.9331 1.30628 30.4441 TIMING: 660400 CPU: 2146.45, 0.00325092/step Wall: 2146.45, 0.00325092/step, 3.91881 hours remaining, 231.585938 MB of memory in use. ENERGY: 660400 3945.9453 20647.5957 14486.5114 237.7467 -203026.1768 2452.1702 0.0000 0.0000 52194.3242 -109061.8832 299.9615 -161256.2075 -108694.7904 300.3640 -55.6687 -27.7077 760948.5194 20.3724 20.7008 PRESSURE: 660600 145.726 40.4411 -116.986 40.4417 -230.634 6.72873 -116.986 6.72935 470.465 GPRESSURE: 660600 211.61 74.2047 -60.1447 -30.9643 -226.17 93.4033 -112.918 -50.6691 460.266 PRESSAVG: 660600 -10.5723 -60.9304 -15.8619 -60.9304 6.92852 9.05234 -15.8618 9.05229 12.3153 GPRESSAVG: 660600 -9.96416 -61.4488 -15.5431 -62.004 5.98014 10.4095 -19.8122 7.80014 12.7942 TIMING: 660600 CPU: 2147.08, 0.00314997/step Wall: 2147.08, 0.00314997/step, 3.79693 hours remaining, 231.585938 MB of memory in use. ENERGY: 660600 3975.7917 20622.6569 14540.6161 253.3029 -203485.7821 2747.8583 0.0000 0.0000 52249.7920 -109095.7642 300.2803 -161345.5562 -108733.3951 300.2276 128.5190 148.5688 761337.8946 2.8905 2.9367 PRESSURE: 660800 305.949 47.7698 66.532 47.7706 201.402 -49.2223 66.5323 -49.2227 -55.882 GPRESSURE: 660800 263.589 59.497 10.7946 19.5251 227.03 -60.5977 8.12157 5.43292 56.3152 PRESSAVG: 660800 57.8859 -10.0227 22.0751 -10.0227 -60.6184 13.6119 22.0751 13.6119 8.49185 GPRESSAVG: 660800 57.3597 -9.91103 24.0231 -8.062 -59.3912 11.4154 23.0484 15.4425 8.11511 TIMING: 660800 CPU: 2147.72, 0.00318411/step Wall: 2147.72, 0.00318411/step, 3.83791 hours remaining, 231.585938 MB of memory in use. ENERGY: 660800 3983.4562 20708.0376 14589.4777 258.4914 -203558.3312 2755.1334 0.0000 0.0000 52050.7424 -109212.9925 299.1363 -161263.7349 -108860.2484 300.2292 150.4896 182.3114 760799.9249 1.9198 2.0279 PRESSURE: 661000 -448.856 -212.156 35.5062 -212.157 22.1718 185.999 35.5059 185.999 -20.7363 GPRESSURE: 661000 -341.779 -140.184 25.6128 -129.901 32.1124 181.554 154.703 185.005 -54.5745 PRESSAVG: 661000 -37.7765 -30.8505 -21.1372 -30.8505 11.727 62.5048 -21.1371 62.5048 12.0294 GPRESSAVG: 661000 -37.0166 -29.8546 -23.6534 -29.2486 11.5173 62.7273 -21.1557 60.4948 11.1 TIMING: 661000 CPU: 2148.35, 0.00317763/step Wall: 2148.35, 0.00317763/step, 3.82993 hours remaining, 231.585938 MB of memory in use. ENERGY: 661000 3957.5693 20481.3969 14467.3831 252.4917 -203426.7997 2558.4292 0.0000 0.0000 52248.1731 -109461.3565 300.2710 -161709.5296 -109091.9654 299.7920 -149.1402 -121.4137 760923.3921 -4.6734 -4.7997 PRESSURE: 661200 -359.855 -199.952 -78.7335 -199.952 119.563 107.062 -78.7334 107.062 -62.0513 GPRESSURE: 661200 -210.173 -102.084 5.23572 -188.342 29.8048 -15.2103 -103.887 139.564 -44.262 PRESSAVG: 661200 -61.5753 -28.2742 -54.9518 -28.2741 42.9698 39.9922 -54.9518 39.9922 10.2604 GPRESSAVG: 661200 -63.4675 -28.863 -56.5184 -29.1841 44.5105 39.7218 -52.0754 42.7933 10.6463 TIMING: 661200 CPU: 2148.98, 0.00314854/step Wall: 2148.98, 0.00314854/step, 3.79469 hours remaining, 231.585938 MB of memory in use. ENERGY: 661200 4012.5744 20669.0288 14423.7895 251.5378 -203207.7911 2333.5621 0.0000 0.0000 52075.1086 -109442.1900 299.2764 -161517.2986 -109086.7491 299.6583 -100.7813 -74.8768 760498.2896 -2.7817 -2.7702 PRESSURE: 661400 -241.749 -172.304 155.615 -172.304 -49.3397 14.0926 155.616 14.0922 -2.50219 GPRESSURE: 661400 -96.5754 -154.629 185.237 -79.4714 -117.118 10.4788 -6.61211 7.08944 11.5778 PRESSAVG: 661400 20.8637 1.11189 15.628 1.11192 0.594572 -20.0848 15.6281 -20.0848 2.63212 GPRESSAVG: 661400 22.1808 0.32919 17.8648 1.53683 -1.63501 -19.456 13.4551 -20.7989 2.88205 TIMING: 661400 CPU: 2149.62, 0.00316279/step Wall: 2149.62, 0.00316279/step, 3.81169 hours remaining, 231.585938 MB of memory in use. ENERGY: 661400 4043.6873 20652.8588 14515.2642 233.1063 -203440.4866 2384.8454 0.0000 0.0000 52110.4837 -109500.2408 299.4797 -161610.7245 -109137.5043 299.6348 -97.8637 -67.3718 759162.8094 8.0301 7.8093 PRESSURE: 661600 449.836 -273.773 -52.7353 -273.771 195.592 238.71 -52.735 238.711 290.229 GPRESSURE: 661600 416.8 -122.328 -73.0532 -299.999 319.976 224.869 -38.4574 178.595 270.098 PRESSAVG: 661600 55.0886 -55.1115 -6.45387 -55.1115 -55.9639 36.8532 -6.45379 36.8532 9.9345 GPRESSAVG: 661600 53.5074 -54.8874 -5.60717 -58.1419 -54.5494 37.8477 -6.86465 36.1707 9.5462 TIMING: 661600 CPU: 2150.25, 0.00319604/step Wall: 2150.25, 0.00319604/step, 3.85159 hours remaining, 231.585938 MB of memory in use. ENERGY: 661600 3907.5981 20517.9610 14455.0058 236.1288 -203612.7876 2760.0276 0.0000 0.0000 52127.0197 -109609.0465 299.5747 -161736.0662 -109244.5848 299.1349 311.8856 335.6246 758780.7266 3.0197 2.8347 PRESSURE: 661800 -64.199 3.72245 -188.788 3.72227 -9.72218 75.4569 -188.788 75.4576 -113.318 GPRESSURE: 661800 24.4644 30.5347 -169.204 -57.9693 -80.4363 -9.58202 -178.444 37.6669 -64.8528 PRESSAVG: 661800 43.4091 -53.0402 -42.8128 -53.0403 -17.9889 6.2338 -42.8128 6.23384 -5.55237 GPRESSAVG: 661800 45.0444 -51.1822 -44.6077 -53.1017 -18.1908 4.08298 -42.0691 5.55695 -6.38995 TIMING: 661800 CPU: 2150.9, 0.00322737/step Wall: 2150.9, 0.00322737/step, 3.88916 hours remaining, 231.585938 MB of memory in use. ENERGY: 661800 4027.1576 20593.0772 14380.8332 255.2171 -203530.3407 2505.0796 0.0000 0.0000 51975.4735 -109793.5026 298.7038 -161768.9761 -109431.4727 299.0954 -62.4129 -40.2749 759270.2906 6.6226 6.8212 PRESSURE: 662000 -22.656 -82.3203 -217.335 -82.3199 151.723 -37.9569 -217.334 -37.956 -286.926 GPRESSURE: 662000 -11.0905 -67.4167 -156.687 -71.5339 167.277 -144.977 -176.251 42.8165 -227.72 PRESSAVG: 662000 4.51468 -80.2195 -11.8523 -80.2195 19.4892 15.9998 -11.8523 15.9999 -3.27551 GPRESSAVG: 662000 4.32779 -82.6447 -11.8227 -76.3828 18.6863 17.7609 -10.3269 18.4808 -2.16963 TIMING: 662000 CPU: 2151.54, 0.00317448/step Wall: 2151.54, 0.00317448/step, 3.82524 hours remaining, 231.585938 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: 662000 4035.4469 20577.4293 14433.3514 258.3090 -203362.3676 2425.7377 0.0000 0.0000 51994.4698 -109637.6235 298.8129 -161632.0933 -109277.5203 298.7340 -52.6194 -23.8444 760741.5012 6.9094 6.9482 PRESSURE: 662200 19.2789 -170.845 92.2593 -170.845 139.143 22.5165 92.2595 22.5163 263.321 GPRESSURE: 662200 70.8639 -169.98 87.1094 -77.3786 179.235 79.2345 -6.18344 25.6118 261.966 PRESSAVG: 662200 -4.17026 -84.5136 -22.0771 -84.5136 -5.59198 5.35246 -22.0771 5.35248 3.51599 GPRESSAVG: 662200 -4.11893 -84.1803 -21.9135 -87.4754 -4.73214 5.69265 -23.2684 4.40619 3.00185 TIMING: 662200 CPU: 2152.17, 0.00316153/step Wall: 2152.17, 0.00316153/step, 3.80946 hours remaining, 231.585938 MB of memory in use. ENERGY: 662200 4035.0582 20560.6313 14493.1513 250.1812 -203636.8253 2609.4249 0.0000 0.0000 52084.0227 -109604.3556 299.3276 -161688.3783 -109241.0484 299.0182 140.5808 170.6884 759306.2069 -2.0821 -1.9497 PRESSURE: 662400 -152.289 -131.268 -50.6355 -131.268 26.476 -23.8051 -50.6353 -23.8055 -81.1999 GPRESSURE: 662400 -113.908 -10.3944 -46.5024 -198.409 23.0595 13.3928 -17.7588 -30.7383 -31.5056 PRESSAVG: 662400 121.268 -33.131 21.7591 -33.1309 -77.1894 17.691 21.759 17.691 8.34307 GPRESSAVG: 662400 121.286 -31.7514 23.523 -33.7978 -76.8999 17.7903 20.5402 18.0427 8.19601 TIMING: 662400 CPU: 2152.81, 0.00319672/step Wall: 2152.81, 0.00319672/step, 3.8517 hours remaining, 231.585938 MB of memory in use. ENERGY: 662400 4026.1693 20583.7175 14369.3543 231.3927 -203461.1769 2422.0698 0.0000 0.0000 52162.2172 -109666.2561 299.7770 -161828.4733 -109298.1853 299.4965 -69.0043 -40.7849 760003.4253 17.4741 17.5274 PRESSURE: 662600 -350.493 -186.951 158.599 -186.951 -15.7825 72.4273 158.599 72.4261 -19.115 GPRESSURE: 662600 -254.896 -230.224 124.133 -82.4067 -29.6997 80.6373 82.5488 121.248 -18.9278 PRESSAVG: 662600 42.2753 -93.0318 -9.55065 -93.0318 -13.1643 -31.6532 -9.55062 -31.6532 -7.41834 GPRESSAVG: 662600 41.9146 -94.7708 -10.6249 -91.4293 -12.5631 -31.9128 -9.78179 -33.1098 -7.73551 TIMING: 662600 CPU: 2153.45, 0.00320171/step Wall: 2153.45, 0.00320171/step, 3.85752 hours remaining, 231.585938 MB of memory in use. ENERGY: 662600 4062.2620 20552.4177 14503.2935 225.0667 -203596.6850 2613.4738 0.0000 0.0000 52015.6797 -109624.4916 298.9348 -161640.1713 -109262.0413 299.1590 -128.4635 -101.1744 760153.4511 7.2309 7.2053 PRESSURE: 662800 -158.99 40.8839 -8.78942 40.8842 -87.5006 1.54186 -8.78971 1.54161 284.887 GPRESSURE: 662800 -116.718 133.446 54.1029 42.6873 -92.2067 45.9519 -138.156 1.06333 350.623 PRESSAVG: 662800 -25.1117 -76.3892 33.9834 -76.3892 -7.00407 21.0436 33.9834 21.0436 24.5853 GPRESSAVG: 662800 -25.1026 -75.3834 32.6769 -77.5451 -7.93035 19.9267 32.5896 23.1776 25.9169 TIMING: 662800 CPU: 2154.09, 0.00321668/step Wall: 2154.09, 0.00321668/step, 3.87539 hours remaining, 231.585938 MB of memory in use. ENERGY: 662800 3952.2313 20427.7033 14466.9508 267.8809 -203691.7765 2800.8405 0.0000 0.0000 52025.4809 -109750.6889 298.9912 -161776.1698 -109379.1180 298.9975 12.7990 47.2330 760421.4472 -2.5102 -2.3720 PRESSURE: 663000 -293.523 -206.652 -29.1124 -206.651 -217.005 138.542 -29.1121 138.542 -41.0603 GPRESSURE: 663000 -265.419 -132.688 4.35908 -126.975 -107.231 68.7976 -213.007 15.9419 -83.3855 PRESSAVG: 663000 -3.22039 -21.7989 38.6057 -21.7989 -20.919 53.4188 38.6058 53.4188 22.9532 GPRESSAVG: 663000 -2.93732 -22.7715 39.5172 -20.3914 -20.1147 54.9763 41.0168 50.4862 21.7401 TIMING: 663000 CPU: 2154.74, 0.00323401/step Wall: 2154.74, 0.00323401/step, 3.89608 hours remaining, 231.585938 MB of memory in use. ENERGY: 663000 4043.5062 20563.4906 14459.4835 266.7866 -203305.1742 2553.2579 0.0000 0.0000 51964.5092 -109454.1402 298.6407 -161418.6494 -109102.3400 299.3424 -183.8626 -152.0118 762120.7249 -0.3954 -0.4373 PRESSURE: 663200 -37.0474 -71.4503 8.16813 -71.4499 -26.1639 -101.268 8.16912 -101.267 -542.37 GPRESSURE: 663200 -93.6331 -127.209 -33.8195 -93.2445 -46.4389 -123.105 72.2209 7.97109 -397.427 PRESSAVG: 663200 -25.5935 -57.8294 -25.0005 -57.8294 19.8902 -33.0874 -25.0005 -33.0873 -5.72759 GPRESSAVG: 663200 -26.3286 -58.8937 -26.5358 -57.6195 20.0028 -33.8033 -23.6292 -30.2168 -5.52321 TIMING: 663200 CPU: 2155.38, 0.00321376/step Wall: 2155.38, 0.00321376/step, 3.87151 hours remaining, 231.585938 MB of memory in use. ENERGY: 663200 3965.4990 20469.9331 14442.7611 242.2072 -203213.1783 2343.4822 0.0000 0.0000 52264.2536 -109485.0421 300.3634 -161749.2957 -109108.6346 299.4282 -201.8605 -179.1665 759888.2864 -3.8103 -3.9497 PRESSURE: 663400 -147.231 69.1657 6.82161 69.1655 106.504 -113.074 6.82264 -113.073 -413.349 GPRESSURE: 663400 -39.6001 73.7495 -45.1886 4.17315 30.2103 -180.669 -75.7288 -81.1386 -347.769 PRESSAVG: 663400 -44.9791 3.17422 -5.12508 3.17426 70.0882 -41.4678 -5.12509 -41.4678 -0.0735475 GPRESSAVG: 663400 -44.0779 4.33121 -3.48265 3.34279 69.0273 -43.0464 -5.74071 -41.7042 -0.289255 TIMING: 663400 CPU: 2156.02, 0.00318822/step Wall: 2156.02, 0.00318822/step, 3.84056 hours remaining, 231.585938 MB of memory in use. ENERGY: 663400 4094.8058 20599.2078 14466.5978 250.0266 -203144.0110 2429.4666 0.0000 0.0000 51943.4684 -109360.4381 298.5198 -161303.9064 -109009.3736 299.1695 -151.3586 -119.0528 761333.8320 8.3452 8.2200 PRESSURE: 663600 -290.494 -209.394 79.3269 -209.395 -263.534 522.795 79.3259 522.796 324.059 GPRESSURE: 663600 -254.995 -155.473 -36.499 -78.7747 -242.402 427.007 97.3878 377.077 351.173 PRESSAVG: 663600 -72.8532 -28.669 -42.03 -28.669 29.5013 -47.8785 -42.03 -47.8785 -6.4637 GPRESSAVG: 663600 -72.8253 -25.2024 -43.4327 -28.8908 29.9301 -45.4599 -42.6496 -49.3737 -6.49261 TIMING: 663600 CPU: 2156.66, 0.00319699/step Wall: 2156.66, 0.00319699/step, 3.85096 hours remaining, 231.585938 MB of memory in use. ENERGY: 663600 4023.0922 20392.0955 14524.6250 247.5762 -203354.5090 2579.5093 0.0000 0.0000 52126.5908 -109461.0200 299.5722 -161587.6108 -109104.4127 299.9031 -76.6563 -48.7414 759951.6184 -16.6052 -16.4626 PRESSURE: 663800 176.801 58.9094 108.968 58.9091 390.113 -247.022 108.968 -247.022 -47.8456 GPRESSURE: 663800 198.279 75.8639 98.295 -57.5598 432.134 -143.368 98.3903 -288.594 -23.4769 PRESSAVG: 663800 -17.5441 28.3859 32.2394 28.3858 -10.9784 14.1239 32.2395 14.1239 -9.45352 GPRESSAVG: 663800 -18.4703 26.8094 32.6899 28.7697 -10.5078 13.1962 30.4522 14.8734 -9.00248 TIMING: 663800 CPU: 2157.3, 0.00318972/step Wall: 2157.3, 0.00318972/step, 3.84201 hours remaining, 231.585938 MB of memory in use. ENERGY: 663800 4027.6265 20375.2920 14444.5066 258.7723 -203429.7034 2822.0139 0.0000 0.0000 52085.0589 -109416.4331 299.3335 -161501.4921 -109053.0323 299.4489 173.0227 202.3119 760693.4923 -12.6587 -12.6602 PRESSURE: 664000 -119.216 105.037 -229.44 105.038 -161.822 -8.45211 -229.44 -8.45193 -263.622 GPRESSURE: 664000 -48.5419 32.1316 -181.061 224.306 -145.357 -72.5762 -141.744 97.0439 -261.482 PRESSAVG: 664000 49.7087 -32.2896 -0.225472 -32.2897 -49.2692 -56.1938 -0.225479 -56.1937 2.83194 GPRESSAVG: 664000 50.106 -33.8532 0.537488 -31.4464 -50.8209 -57.7867 2.14117 -55.8988 3.65087 TIMING: 664000 CPU: 2157.93, 0.00317385/step Wall: 2157.93, 0.00317385/step, 3.82272 hours remaining, 231.585938 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: 664000 4027.9418 20526.5413 14468.2314 237.8157 -203322.9496 2755.1429 0.0000 0.0000 52305.6385 -109001.6381 300.6012 -161307.2765 -108625.6492 299.8434 -181.5532 -151.7936 759962.0265 1.0905 0.9787 PRESSURE: 664200 -224.538 78.1245 91.6208 78.125 -378.038 -162.159 91.6202 -162.158 -217.152 GPRESSURE: 664200 -131.447 -21.4451 53.3423 18.6644 -318.597 -161.802 29.7781 -71.5743 -262.1 PRESSAVG: 664200 -31.0891 23.7487 -14.1128 23.7488 47.1849 -28.8537 -14.1129 -28.8537 -8.77171 GPRESSAVG: 664200 -30.9558 25.6 -14.0263 22.4402 47.1906 -27.2559 -15.6434 -28.197 -9.31358 TIMING: 664200 CPU: 2158.57, 0.00319492/step Wall: 2158.57, 0.00319492/step, 3.84792 hours remaining, 231.585938 MB of memory in use. ENERGY: 664200 4035.6118 20487.9618 14480.8813 259.7881 -203022.4833 2512.3429 0.0000 0.0000 52153.4501 -109092.4472 299.7266 -161245.8974 -108733.6140 300.1454 -273.2426 -237.3814 763113.1876 2.4414 2.3071 LDB: ============= START OF LOAD BALANCING ============== 2171 LDB: ============== END OF LOAD BALANCING =============== 2171 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2171 LDB: ============= START OF LOAD BALANCING ============== 2171.32 LDB: Largest compute 7033 load 0.035255 is 18.1% of average load 0.194955 LDB: Average compute 0.004400 is 2.3% of average load 0.194955 LDB: TIME 2171.32 LOAD: AVG 0.194955 MAX 0.213183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.898 MB LDB: TIME 2171.32 LOAD: AVG 0.194955 MAX 0.213183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.969 MB LDB: TIME 2171.32 LOAD: AVG 0.194955 MAX 0.213183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.969 MB LDB: ============== END OF LOAD BALANCING =============== 2171.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2171.33 PRESSURE: 664400 -320.832 -67.8896 -217.741 -67.8894 385.913 -281.736 -217.741 -281.735 113.396 GPRESSURE: 664400 -143.242 -53.7176 -228.502 -24.0144 329.228 -362.394 -159.443 -288.832 64.6496 PRESSAVG: 664400 20.9397 -22.7834 -13.6053 -22.7834 -33.8671 -20.109 -13.6054 -20.1091 3.74769 GPRESSAVG: 664400 22.4903 -22.8203 -13.8942 -22.1677 -33.6526 -20.1988 -12.2838 -22.6407 2.12013 TIMING: 664400 CPU: 2159.23, 0.00328149/step Wall: 2159.23, 0.00328149/step, 3.95201 hours remaining, 230.472656 MB of memory in use. ENERGY: 664400 4047.7186 20494.0181 14455.3527 259.0078 -203455.5628 2631.8391 0.0000 0.0000 52352.7682 -109214.8584 300.8721 -161567.6266 -108846.1719 300.5244 59.4924 83.5453 760740.5743 -3.0599 -3.0141 PRESSURE: 664600 -309.282 52.2233 -6.26852 52.2225 -103.357 -53.497 -6.26849 -53.4969 -419.784 GPRESSURE: 664600 -261.785 70.2133 -123.687 -13.8067 -103.278 -82.5799 -85.1966 65.2817 -382.327 PRESSAVG: 664600 -4.04129 -49.3974 -9.60056 -49.3975 -20.6496 -35.9058 -9.60056 -35.9057 -38.286 GPRESSAVG: 664600 -5.39261 -49.5665 -9.59417 -51.7438 -20.5521 -36.6166 -10.583 -34.9869 -36.9026 TIMING: 664600 CPU: 2159.87, 0.00320965/step Wall: 2159.87, 0.00320965/step, 3.86531 hours remaining, 230.671875 MB of memory in use. ENERGY: 664600 4091.1707 20503.9070 14538.9703 225.9954 -203505.9642 2524.4439 0.0000 0.0000 52222.7151 -109398.7618 300.1247 -161621.4768 -109027.8953 299.8914 -277.4745 -249.1300 761282.5874 -20.9923 -20.9491 PRESSURE: 664800 -160.606 -60.1727 109.503 -60.1721 -125.569 152.483 109.503 152.484 -297.021 GPRESSURE: 664800 -144.848 -92.0933 119.567 -121.609 3.20703 179.212 47.8043 71.3095 -339.257 PRESSAVG: 664800 -11.2203 27.3095 -2.36326 27.3095 33.555 -7.98037 -2.36321 -7.98036 3.65992 GPRESSAVG: 664800 -12.0424 27.9233 -2.21425 28.6939 33.3954 -6.38387 -2.94852 -8.21284 4.41091 TIMING: 664800 CPU: 2160.52, 0.00325238/step Wall: 2160.52, 0.00325238/step, 3.91659 hours remaining, 230.812500 MB of memory in use. ENERGY: 664800 4038.6252 20611.6453 14425.8768 251.3256 -203472.9042 2468.8510 0.0000 0.0000 52233.8116 -109442.7687 300.1884 -161676.5803 -109076.0175 299.8532 -194.3987 -160.2991 760650.9257 8.6649 8.5880 PRESSURE: 665000 59.4315 -43.5775 -42.3897 -43.5778 72.2432 140.333 -42.3897 140.334 108.73 GPRESSURE: 665000 65.8775 -146.23 -22.5234 -14.7899 159.065 170.651 -103.582 1.57334 104.818 PRESSAVG: 665000 -26.1865 -4.43783 -4.39653 -4.43784 43.8287 14.5737 -4.39655 14.5737 16.803 GPRESSAVG: 665000 -25.8994 -4.44298 -4.08 -4.95584 45.2386 14.115 -1.58387 14.6269 14.8575 TIMING: 665000 CPU: 2161.16, 0.00319025/step Wall: 2161.16, 0.00319025/step, 3.84159 hours remaining, 230.812500 MB of memory in use. ENERGY: 665000 4017.4093 20598.7841 14518.7350 239.8944 -203113.0477 2179.4265 0.0000 0.0000 52054.9075 -109503.8908 299.1603 -161558.7983 -109142.3427 299.2030 80.1351 109.9203 761061.5254 11.4817 11.3989 PRESSURE: 665200 -105.294 129.24 -43.1994 129.24 -200.871 -113.63 -43.199 -113.63 217.496 GPRESSURE: 665200 -76.8698 247.451 63.5668 75.2372 -113.931 -190.436 -204.045 -199.7 171.853 PRESSAVG: 665200 60.2505 -14.6825 27.7429 -14.6825 -18.7644 -13.6947 27.743 -13.6947 0.837747 GPRESSAVG: 665200 60.7477 -14.9089 29.9183 -15.8172 -20.4889 -13.4612 23.9731 -13.782 1.93115 TIMING: 665200 CPU: 2161.79, 0.00316489/step Wall: 2161.79, 0.00316489/step, 3.81087 hours remaining, 230.812500 MB of memory in use. ENERGY: 665200 3957.1321 20615.6595 14509.7881 246.2468 -203058.4968 2214.9792 0.0000 0.0000 52054.1741 -109460.5172 299.1561 -161514.6912 -109098.4878 299.4536 -29.5562 -6.3158 760560.7467 14.1079 14.0633 PRESSURE: 665400 -172.877 -219.307 86.2944 -219.306 430.565 82.2158 86.2943 82.2161 37.6237 GPRESSURE: 665400 -91.0348 -106.405 107.917 -130.815 413.066 162.885 27.6393 -0.303317 60.5276 PRESSAVG: 665400 1.42635 16.5399 18.2372 16.54 8.91682 3.54081 18.2372 3.54076 5.81873 GPRESSAVG: 665400 1.51158 16.3823 16.8 17.2068 9.65728 3.05576 17.4796 3.52689 4.65492 TIMING: 665400 CPU: 2162.43, 0.00319227/step Wall: 2162.43, 0.00319227/step, 3.84367 hours remaining, 230.812500 MB of memory in use. ENERGY: 665400 3972.5245 20728.1533 14521.7471 249.7550 -203438.7388 2813.4362 0.0000 0.0000 51910.8191 -109242.3035 298.3322 -161153.1226 -108890.9993 299.8105 98.4374 127.5195 759584.7725 5.3873 5.2746 PRESSURE: 665600 113.051 -4.53399 -55.1606 -4.53406 81.8879 -222.497 -55.1599 -222.496 117.647 GPRESSURE: 665600 189.441 47.8304 -167.683 82.2575 22.9968 -194.984 35.4086 -130.976 182.469 PRESSAVG: 665600 -15.9108 -7.24797 -5.26001 -7.24794 26.9785 -84.4853 -5.25996 -84.4852 17.5149 GPRESSAVG: 665600 -15.441 -8.56496 -5.76566 -6.55914 24.9523 -84.3459 -3.32531 -83.7458 18.9827 TIMING: 665600 CPU: 2163.07, 0.00321397/step Wall: 2163.07, 0.00321397/step, 3.86962 hours remaining, 230.812500 MB of memory in use. ENERGY: 665600 3950.5533 20685.8430 14492.5868 250.2500 -203173.8874 2558.1920 0.0000 0.0000 51916.8062 -109319.6562 298.3666 -161236.4624 -108962.5830 299.6865 104.1954 131.6357 761780.2407 9.5275 9.4980 PRESSURE: 665800 -114.407 120.572 125.751 120.573 78.0637 -214.849 125.751 -214.849 237.114 GPRESSURE: 665800 -112.731 65.9217 102.101 17.0388 206.724 -160.017 2.93273 -237.334 201.539 PRESSAVG: 665800 22.2687 -48.1619 20.2738 -48.162 -15.8002 -43.5683 20.2739 -43.5683 2.15702 GPRESSAVG: 665800 22.5792 -46.5555 19.7942 -49.4701 -14.3472 -44.3481 20.5663 -43.5927 0.554021 TIMING: 665800 CPU: 2163.71, 0.00321871/step Wall: 2163.71, 0.00321871/step, 3.87515 hours remaining, 230.812500 MB of memory in use. ENERGY: 665800 3950.8994 20606.9098 14530.8159 253.2975 -203577.7259 2650.5955 0.0000 0.0000 52139.3748 -109445.8329 299.6457 -161585.2078 -109080.8087 299.4447 66.9236 98.5108 759576.7035 2.8752 2.9287 PRESSURE: 666000 -13.6582 121.354 207.259 121.354 7.75875 124.182 207.259 124.182 -25.1373 GPRESSURE: 666000 -12.633 21.3204 190.558 266.419 -72.0134 88.3114 53.017 134.353 125.201 PRESSAVG: 666000 -20.7814 -73.0312 42.358 -73.0312 5.00642 -31.3205 42.358 -31.3204 -15.8492 GPRESSAVG: 666000 -21.0586 -74.1014 41.8496 -72.2759 4.49034 -28.3703 41.3838 -31.1095 -14.7066 TIMING: 666000 CPU: 2164.35, 0.00318311/step Wall: 2164.35, 0.00318311/step, 3.83211 hours remaining, 230.812500 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: 666000 3936.7565 20533.0965 14483.5205 266.7122 -203189.0507 2386.2910 0.0000 0.0000 52152.8522 -109429.8219 299.7232 -161582.6741 -109062.7038 299.4964 -10.3456 13.5182 759676.6538 -10.5414 -10.4249 PRESSURE: 666200 30.611 127.984 -166.799 127.985 -160.824 -76.097 -166.798 -76.0969 -71.4708 GPRESSURE: 666200 -71.548 96.4947 -92.1052 143.135 -45.8091 -62.4036 -174.927 17.84 19.2084 PRESSAVG: 666200 -18.7012 -36.4284 36.7843 -36.4285 41.1609 -51.0991 36.7844 -51.0991 -21.0203 GPRESSAVG: 666200 -18.8494 -36.5465 35.5457 -35.2963 41.1877 -54.0899 38.495 -48.3383 -20.9161 TIMING: 666200 CPU: 2164.99, 0.00320636/step Wall: 2164.99, 0.00320636/step, 3.85992 hours remaining, 230.812500 MB of memory in use. ENERGY: 666200 3941.1365 20662.6567 14490.6098 252.2303 -203162.2751 2526.9715 0.0000 0.0000 51989.0288 -109299.6416 298.7817 -161288.6703 -108936.2845 299.8478 -67.2280 -32.7162 760720.8646 0.4798 0.4741 PRESSURE: 666400 -109.825 -208.249 161.922 -208.249 0.650024 1.19696 161.922 1.19718 -259.03 GPRESSURE: 666400 -13.2976 -189.274 156.856 -97.7492 -6.89639 47.4228 28.8498 125.68 -243.929 PRESSAVG: 666400 -8.27292 -42.8488 -5.41371 -42.8488 10.72 10.9405 -5.41382 10.9406 -12.8492 GPRESSAVG: 666400 -8.96236 -40.8376 -3.91166 -43.4273 10.5625 12.1092 -9.09345 8.10393 -12.0287 TIMING: 666400 CPU: 2165.62, 0.00316652/step Wall: 2165.62, 0.00316652/step, 3.81179 hours remaining, 230.812500 MB of memory in use. ENERGY: 666400 3991.7749 20559.0184 14510.7000 239.1038 -203409.0520 2742.7090 0.0000 0.0000 52041.3113 -109324.4345 299.0821 -161365.7458 -108966.2903 299.3983 -122.7351 -88.0411 761600.3296 -3.4674 -3.4762 PRESSURE: 666600 332.578 187.735 107.269 187.735 185.054 -217.143 107.269 -217.142 -321.688 GPRESSURE: 666600 391.91 339.262 114.96 168.858 125.089 -231.658 298.81 -83.6074 -212.955 PRESSAVG: 666600 47.2172 -14.1123 -7.37836 -14.1123 -46.4602 34.7806 -7.3784 34.7805 -6.67638 GPRESSAVG: 666600 47.2851 -14.4499 -7.0643 -15.5993 -46.2324 33.9502 -3.9738 37.6277 -6.60696 TIMING: 666600 CPU: 2166.26, 0.00315735/step Wall: 2166.26, 0.00315735/step, 3.80057 hours remaining, 230.812500 MB of memory in use. ENERGY: 666600 4042.4667 20508.1891 14412.8817 246.2541 -203207.5853 2528.2412 0.0000 0.0000 51950.0776 -109519.4749 298.5578 -161469.5525 -109165.8508 299.6005 65.3143 101.3480 760640.6525 -1.9731 -1.8514 PRESSURE: 666800 -330.703 35.4148 -94.1323 35.4142 -97.1425 -26.4414 -94.133 -26.4406 98.7513 GPRESSURE: 666800 -252.539 97.8683 -96.0548 188.468 -44.4553 14.739 7.1842 -1.79415 62.4029 PRESSAVG: 666800 -12.3342 -2.23618 1.44362 -2.23615 2.28491 23.8898 1.44364 23.8898 17.7604 GPRESSAVG: 666800 -12.39 -2.8289 0.817775 -2.54528 2.50085 23.4977 0.919128 20.1827 17.1694 TIMING: 666800 CPU: 2166.89, 0.0031822/step Wall: 2166.89, 0.0031822/step, 3.83031 hours remaining, 230.812500 MB of memory in use. ENERGY: 666800 3966.9248 20455.7446 14503.1046 264.4621 -203558.0389 2534.9073 0.0000 0.0000 52255.6405 -109577.2551 300.3139 -161832.8956 -109214.6499 298.9702 -109.6981 -78.1971 759344.5758 2.5704 2.4267 PRESSURE: 667000 -109.42 17.6566 252.693 17.6575 -323.454 222.295 252.695 222.294 -287.783 GPRESSURE: 667000 -139.337 1.94472 201.088 93.8021 -204.56 252.686 270.122 173.133 -283.668 PRESSAVG: 667000 -61.3288 -9.18734 -2.62376 -9.18733 40.6397 -9.6577 -2.62379 -9.65773 -1.4736 GPRESSAVG: 667000 -60.9214 -9.63694 -1.70543 -8.52274 41.2917 -8.51938 -1.37883 -7.04335 -2.63578 TIMING: 667000 CPU: 2167.54, 0.00322135/step Wall: 2167.54, 0.00322135/step, 3.87726 hours remaining, 230.812500 MB of memory in use. ENERGY: 667000 4100.4277 20410.3137 14417.5396 244.0678 -203358.1938 2385.7009 0.0000 0.0000 52134.0953 -109666.0489 299.6154 -161800.1441 -109316.6806 299.2991 -240.2192 -209.1881 760713.4028 -7.3876 -7.4218 PRESSURE: 667200 11.5677 -1.93454 107.537 -1.93501 195.379 53.6513 107.537 53.6517 -21.9814 GPRESSURE: 667200 -67.9195 45.2734 74.5332 63.3087 231.815 -40.9289 52.111 7.15486 99.3303 PRESSAVG: 667200 16.9232 15.9214 17.6807 15.9214 28.9435 8.88187 17.6807 8.88189 11.2116 GPRESSAVG: 667200 16.0269 15.4891 16.6753 15.3198 29.2211 8.47703 14.9131 8.33273 12.4792 TIMING: 667200 CPU: 2168.18, 0.0032204/step Wall: 2168.18, 0.0032204/step, 3.87593 hours remaining, 230.812500 MB of memory in use. ENERGY: 667200 3975.7571 20697.7116 14439.6783 244.3003 -203378.8367 2554.7085 0.0000 0.0000 51781.2457 -109685.4352 297.5875 -161466.6809 -109333.9500 298.9211 61.6550 87.7418 760905.0126 19.0261 19.2424 PRESSURE: 667400 -74.8508 53.3557 112.516 53.3565 -203.133 52.9714 112.515 52.9716 -57.9545 GPRESSURE: 667400 -32.384 -106.386 112.919 153.771 -183.603 112.404 84.3153 73.7534 -32.8122 PRESSAVG: 667400 -19.5189 9.49462 8.2266 9.49466 -11.6152 -8.24271 8.22667 -8.24276 9.64396 GPRESSAVG: 667400 -19.7857 9.07142 8.91712 10.5228 -11.7377 -7.70819 8.92069 -9.58351 10.0714 TIMING: 667400 CPU: 2168.83, 0.00324013/step Wall: 2168.83, 0.00324013/step, 3.8995 hours remaining, 230.812500 MB of memory in use. ENERGY: 667400 4054.3489 20469.9181 14420.8114 249.3764 -203534.3297 2607.5104 0.0000 0.0000 52037.7390 -109694.6255 299.0616 -161732.3645 -109325.6754 298.9963 -111.9795 -82.9330 759971.6906 -7.1634 -7.1506 PRESSURE: 667600 -289.792 7.83526 -45.7655 7.835 -234.156 -155.643 -45.7656 -155.644 70.87 GPRESSURE: 667600 -163.808 -61.1699 -123.426 -68.3352 -304.133 -172.259 -33.527 -93.6112 102.954 PRESSAVG: 667600 -21.5094 -39.5185 29.0131 -39.5185 50.4548 -52.011 29.0131 -52.011 -5.318 GPRESSAVG: 667600 -19.9455 -39.3958 27.4895 -39.6854 49.9763 -52.63 29.7749 -51.3472 -6.34733 TIMING: 667600 CPU: 2169.48, 0.00325094/step Wall: 2169.48, 0.00325094/step, 3.91233 hours remaining, 230.812500 MB of memory in use. ENERGY: 667600 4023.1554 20443.5421 14445.7739 251.8967 -203513.4311 2628.1818 0.0000 0.0000 52128.2959 -109592.5852 299.5820 -161720.8812 -109221.8136 299.0394 -151.0260 -121.6623 760047.9383 7.8758 7.8945 PRESSURE: 667800 -141.907 -262.042 199.922 -262.042 153.566 70.944 199.923 70.9434 157.29 GPRESSURE: 667800 -24.4848 -165.597 187.384 -139.185 120.849 8.20117 212.211 142.318 170.073 PRESSAVG: 667800 55.7176 -21.4415 25.9098 -21.4415 -31.7115 -27.4314 25.9098 -27.4314 -14.8318 GPRESSAVG: 667800 54.976 -21.2894 27.288 -20.4532 -30.4691 -28.2907 23.4684 -25.1732 -15.0701 TIMING: 667800 CPU: 2170.13, 0.00323099/step Wall: 2170.13, 0.00323099/step, 3.88814 hours remaining, 230.812500 MB of memory in use. ENERGY: 667800 4008.2620 20564.9188 14496.3075 256.7986 -203077.8734 2439.1812 0.0000 0.0000 51966.0200 -109346.3853 298.6494 -161312.4053 -108988.1184 299.0458 56.3162 88.8125 759118.3344 3.0581 3.1456 PRESSURE: 668000 -211.253 -145.107 -264.477 -145.108 -310.688 55.1736 -264.477 55.1735 13.0517 GPRESSURE: 668000 -161.719 -245.937 -239.709 -125.01 -273.333 45.8596 -265.48 36.559 15.4227 PRESSAVG: 668000 83.2937 -52.9423 25.5718 -52.9423 -38.3763 -21.3962 25.5718 -21.3962 -1.31003 GPRESSAVG: 668000 84.4962 -53.4719 27.483 -51.6875 -40.3073 -20.0358 26.0246 -23.8564 0.0490917 TIMING: 668000 CPU: 2170.77, 0.00321694/step Wall: 2170.77, 0.00321694/step, 3.87106 hours remaining, 230.812500 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: 668000 3938.3721 20470.6442 14484.8891 244.9166 -203039.4726 2474.9555 0.0000 0.0000 52352.8726 -109072.8225 300.8727 -161425.6951 -108702.8051 299.4801 -169.6299 -139.8765 760666.6754 14.5358 14.7460 PRESSURE: 668200 -543.724 -24.9671 -69.0531 -24.9668 119.096 -168.74 -69.0526 -168.74 -111.357 GPRESSURE: 668200 -424.822 46.5995 -34.7415 -30.2066 50.749 -168.958 -124.537 -214.584 -67.675 PRESSAVG: 668200 -45.5125 10.5975 -32.2444 10.5975 -11.8223 -54.4267 -32.2444 -54.4267 16.0682 GPRESSAVG: 668200 -46.6225 13.9839 -33.0233 9.06296 -9.93931 -55.2098 -30.6227 -53.4792 15.3696 TIMING: 668200 CPU: 2171.41, 0.00321058/step Wall: 2171.41, 0.00321058/step, 3.86322 hours remaining, 230.812500 MB of memory in use. ENERGY: 668200 3991.6052 20607.7350 14465.4885 243.7154 -202848.3696 2412.3430 0.0000 0.0000 52150.3409 -108977.1418 299.7087 -161127.4827 -108620.6778 300.4666 -178.6618 -147.2493 762707.1064 -13.7555 -13.7307 LDB: ============= START OF LOAD BALANCING ============== 2183.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2183.84 LDB: =============== DONE WITH MIGRATION ================ 2183.84 LDB: ============= START OF LOAD BALANCING ============== 2184.16 LDB: Largest compute 7049 load 0.034466 is 17.7% of average load 0.195033 LDB: Average compute 0.004405 is 2.3% of average load 0.195033 LDB: TIME 2184.16 LOAD: AVG 0.195033 MAX 0.211684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.898 MB LDB: TIME 2184.17 LOAD: AVG 0.195033 MAX 0.211684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.898 MB LDB: TIME 2184.17 LOAD: AVG 0.195033 MAX 0.211684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.898 MB LDB: ============== END OF LOAD BALANCING =============== 2184.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2184.17 PRESSURE: 668400 -58.1999 16.776 -18.7717 16.7768 -333.431 80.0941 -18.7708 80.0942 65.6302 GPRESSURE: 668400 -99.393 51.8774 -19.2714 -39.2163 -224.482 84.1296 -63.7655 99.723 91.3386 PRESSAVG: 668400 15.8186 -24.0142 18.6014 -24.0141 -16.7845 39.486 18.6014 39.486 -19.5417 GPRESSAVG: 668400 15.2626 -26.2541 19.1276 -23.4158 -16.2764 40.8728 17.4934 38.337 -19.7332 TIMING: 668400 CPU: 2172.07, 0.00327563/step Wall: 2172.07, 0.00327563/step, 3.94132 hours remaining, 232.406250 MB of memory in use. ENERGY: 668400 4019.1971 20533.0892 14516.5856 270.2740 -203660.2041 2839.2342 0.0000 0.0000 52415.1538 -109066.6702 301.2306 -161481.8240 -108698.0759 299.9874 -108.6669 -77.5122 761359.5635 -6.8359 -6.9157 PRESSURE: 668600 72.9133 30.2588 18.23 30.2581 262.064 -66.7617 18.2302 -66.7615 97.8523 GPRESSURE: 668600 127.601 41.4483 34.7279 119.847 239.267 -18.2333 50.4585 -231.179 111.538 PRESSAVG: 668600 15.3788 -54.315 -9.05159 -54.3151 20.1963 -25.768 -9.05157 -25.768 7.69884 GPRESSAVG: 668600 16.3206 -55.3099 -9.39894 -53.7636 19.2892 -26.9377 -9.18566 -24.6289 7.00507 TIMING: 668600 CPU: 2172.71, 0.00323062/step Wall: 2172.71, 0.00323062/step, 3.88697 hours remaining, 232.406250 MB of memory in use. ENERGY: 668600 3996.5549 20565.9583 14532.7021 233.4100 -203102.2745 2457.1092 0.0000 0.0000 52258.0003 -109058.5397 300.3274 -161316.5401 -108687.5492 300.2828 144.2766 159.4689 759538.3387 14.4247 14.2050 PRESSURE: 668800 -191.841 -140.778 -119.546 -140.777 75.8039 168.241 -119.546 168.241 196.738 GPRESSURE: 668800 4.79989 -189.435 -98.3273 30.843 35.0022 198.347 -171.363 303.416 138.125 PRESSAVG: 668800 25.5175 -49.8222 19.1653 -49.8222 -20.7676 -19.5045 19.1653 -19.5044 21.7831 GPRESSAVG: 668800 25.4849 -47.6672 18.884 -50.4054 -20.3126 -20.1351 16.9614 -19.2816 21.7801 TIMING: 668800 CPU: 2173.35, 0.00317386/step Wall: 2173.35, 0.00317386/step, 3.8185 hours remaining, 232.406250 MB of memory in use. ENERGY: 668800 3993.3020 20437.3085 14480.1488 264.8912 -203039.9967 2567.4872 0.0000 0.0000 52304.5485 -108992.3106 300.5950 -161296.8590 -108633.2480 300.2297 26.9001 59.3089 761069.0288 8.8443 8.9841 PRESSURE: 669000 -84.222 -265.793 136.158 -265.792 -179.418 -133.645 136.158 -133.644 298.098 GPRESSURE: 669000 -15.9184 -246.13 191.907 -196.15 -130.378 -92.7436 238.926 -38.2402 265.126 PRESSAVG: 669000 -0.325061 -50.9862 4.14846 -50.9862 -41.0385 9.88662 4.14847 9.88676 11.3499 GPRESSAVG: 669000 0.384165 -52.8142 3.31504 -51.5122 -40.9905 10.72 7.63705 9.00487 10.6174 TIMING: 669000 CPU: 2173.99, 0.00319107/step Wall: 2173.99, 0.00319107/step, 3.83904 hours remaining, 232.609375 MB of memory in use. ENERGY: 669000 4051.3899 20531.3198 14528.8556 245.0557 -203571.3475 2684.8174 0.0000 0.0000 52509.2408 -109020.6683 301.7713 -161529.9091 -108658.9920 300.3114 11.4862 39.6100 761063.4864 -10.0045 -9.9963 PRESSURE: 669200 -5.27483 46.0201 -169.507 46.0196 126.372 106.437 -169.507 106.437 -98.1338 GPRESSURE: 669200 42.6895 13.9692 -86.4999 61.2393 127.788 -31.4226 -197.496 84.3305 -73.6556 PRESSAVG: 669200 56.8849 -25.5523 -59.5865 -25.5523 -28.9486 -63.4415 -59.5866 -63.4415 22.3496 GPRESSAVG: 669200 56.1875 -25.1965 -58.8207 -26.468 -30.2139 -63.381 -59.0503 -63.813 24.2051 TIMING: 669200 CPU: 2174.62, 0.00315749/step Wall: 2174.62, 0.00315749/step, 3.79846 hours remaining, 232.609375 MB of memory in use. ENERGY: 669200 3976.7466 20415.4062 14529.0713 249.1926 -203000.9159 2417.7912 0.0000 0.0000 52384.9180 -109027.7900 301.0568 -161412.7080 -108651.4793 300.1840 7.6545 32.2738 760913.3528 16.7619 16.7262 PRESSURE: 669400 -78.4201 -142.439 91.2845 -142.438 -90.1628 -228.931 91.2844 -228.929 -183.138 GPRESSURE: 669400 -99.9456 -167.641 3.13495 -188.392 -71.5896 -210.378 29.6492 -234.146 -92.9223 PRESSAVG: 669400 48.1182 -82.1936 5.49962 -82.1935 -42.7598 -32.1767 5.49959 -32.1767 3.21731 GPRESSAVG: 669400 47.8535 -81.019 4.91014 -82.1627 -42.426 -33.864 2.48292 -29.574 3.91255 TIMING: 669400 CPU: 2175.25, 0.00315578/step Wall: 2175.25, 0.00315578/step, 3.79623 hours remaining, 232.609375 MB of memory in use. ENERGY: 669400 3957.4369 20771.9370 14506.8332 254.5030 -203107.7096 2564.0427 0.0000 0.0000 51982.0018 -109070.9550 298.7413 -161052.9569 -108722.7521 300.0066 -117.2401 -88.1525 761908.7165 2.8586 3.1133 PRESSURE: 669600 387.107 -215.869 -70.6007 -215.869 104.418 158.185 -70.6007 158.185 106.006 GPRESSURE: 669600 398.027 -259.024 -15.8382 -216.577 145.104 186.589 -69.4316 102.994 164.359 PRESSAVG: 669600 -10.6915 -81.1851 -43.0605 -81.1851 -9.0653 -34.7681 -43.0604 -34.768 22.8064 GPRESSAVG: 669600 -10.271 -82.6625 -44.4103 -79.1324 -9.07582 -33.0588 -38.3739 -35.9566 22.329 TIMING: 669600 CPU: 2175.88, 0.00317446/step Wall: 2175.88, 0.00317446/step, 3.81852 hours remaining, 232.808594 MB of memory in use. ENERGY: 669600 3921.8268 20543.0004 14535.5282 245.3956 -203074.6904 2556.7675 0.0000 0.0000 52218.2769 -109053.8951 300.0992 -161272.1720 -108689.3786 300.3039 199.1771 235.8299 759303.8695 1.0165 0.9941 PRESSURE: 669800 132.329 75.8033 285.351 75.8035 -100.352 -12.9895 285.351 -12.9902 268.488 GPRESSURE: 669800 217.631 111.007 362.224 40.6433 -89.7445 -2.02961 191.29 80.773 252.414 PRESSAVG: 669800 30.4758 -22.0736 -23.0259 -22.0736 12.694 21.1035 -23.0259 21.1035 11.9085 GPRESSAVG: 669800 30.0724 -20.2644 -21.6457 -23.1778 14.2663 22.9743 -27.7235 19.5364 11.1982 TIMING: 669800 CPU: 2176.51, 0.00315666/step Wall: 2176.51, 0.00315666/step, 3.79693 hours remaining, 232.808594 MB of memory in use. ENERGY: 669800 3975.2969 20556.3322 14481.3777 254.6629 -202928.8304 2502.8490 0.0000 0.0000 51921.8704 -109236.4412 298.3957 -161158.3116 -108876.6170 300.0645 100.1549 126.7669 761570.4373 18.3595 18.5123 PRESSURE: 670000 -325.917 16.3478 -5.97176 16.349 -95.4658 -88.7865 -5.97158 -88.7864 -149.477 GPRESSURE: 670000 -214.764 54.2807 14.4369 -11.3836 -35.3052 -182.968 75.1144 -188.066 -212.659 PRESSAVG: 670000 1.23861 3.86858 37.9954 3.86851 -5.23188 32.2309 37.9954 32.2309 -18.9053 GPRESSAVG: 670000 2.16958 1.82124 38.8679 5.22107 -7.19664 29.8576 40.3193 34.8627 -18.3162 TIMING: 670000 CPU: 2177.14, 0.00312928/step Wall: 2177.14, 0.00312928/step, 3.76382 hours remaining, 232.808594 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: 670000 4095.9714 20590.9083 14558.2619 234.9711 -202989.2297 2356.2250 0.0000 0.0000 51987.8927 -109164.9994 298.7751 -161152.8921 -108803.1463 299.6471 -190.2865 -154.2428 760311.4269 -7.6329 -7.7811 PRESSURE: 670200 -115.639 110.171 -102.527 110.17 -10.4814 -80.1701 -102.528 -80.17 -192.765 GPRESSURE: 670200 12.5303 113.419 -39.0045 145.113 -8.13721 -133.477 -141.884 -196.036 -236.903 PRESSAVG: 670200 -40.6742 0.848809 -13.2201 0.84883 66.7782 -26.0145 -13.22 -26.0145 12.2065 GPRESSAVG: 670200 -41.7128 0.102486 -13.7709 0.881709 68.9675 -24.1466 -14.0483 -28.5331 11.1357 TIMING: 670200 CPU: 2177.77, 0.00315513/step Wall: 2177.77, 0.00315513/step, 3.79474 hours remaining, 232.808594 MB of memory in use. ENERGY: 670200 3993.2590 20645.1360 14560.6387 259.1420 -203197.6048 2619.1412 0.0000 0.0000 51886.1072 -109234.1808 298.1902 -161120.2880 -108877.1253 299.9716 -106.2950 -77.5034 759315.8732 12.7702 12.7968 PRESSURE: 670400 13.9248 -157.98 -76.1242 -157.98 -10.3513 -9.34748 -76.1243 -9.34723 -94.4802 GPRESSURE: 670400 14.4016 -69.4302 -74.0796 -89.2593 -37.3168 -22.9468 -131.624 -3.6401 13.2918 PRESSAVG: 670400 -6.25366 -0.690613 -27.0552 -0.690591 12.6872 -21.5884 -27.0552 -21.5885 39.6649 GPRESSAVG: 670400 -7.13013 2.2954 -27.7489 -1.63626 12.5333 -21.9774 -27.2254 -22.3923 40.3782 TIMING: 670400 CPU: 2178.41, 0.00317918/step Wall: 2178.41, 0.00317918/step, 3.82349 hours remaining, 232.808594 MB of memory in use. ENERGY: 670400 3999.1069 20501.0057 14512.7699 245.8200 -202911.8712 2589.6981 0.0000 0.0000 51953.5400 -109109.9306 298.5777 -161063.4706 -108760.2311 300.1404 -30.3022 -3.2078 761434.1590 15.3662 15.2605 PRESSURE: 670600 119.501 -28.8656 18.8751 -28.8664 97.2794 33.8405 18.875 33.8414 -256.223 GPRESSURE: 670600 121.224 -13.0231 14.5596 -21.1638 165.775 23.524 -21.902 123.63 -214.772 PRESSAVG: 670600 15.7264 8.27425 -17.43 8.27426 6.24639 -79.2518 -17.43 -79.2518 5.24889 GPRESSAVG: 670600 16.2419 7.85728 -17.1824 7.51046 5.91126 -79.7022 -17.374 -78.928 4.92562 TIMING: 670600 CPU: 2179.05, 0.00323008/step Wall: 2179.05, 0.00323008/step, 3.88454 hours remaining, 232.878906 MB of memory in use. ENERGY: 670600 3998.7992 20606.8634 14417.7831 255.0655 -202826.8226 2271.6373 0.0000 0.0000 52117.4747 -109159.1996 299.5198 -161276.6742 -108795.1771 299.7518 -13.1476 24.0757 759403.9848 9.0739 9.0263 PRESSURE: 670800 519.364 70.0774 -143.048 70.0777 -190.39 -251.009 -143.048 -251.01 496.609 GPRESSURE: 670800 535.472 48.5333 -115.91 -67.0142 -87.5798 -239.526 -273.08 -81.2543 479.654 PRESSAVG: 670800 32.3654 -29.4052 -44.886 -29.4052 -55.0807 -24.4881 -44.886 -24.4882 1.1873 GPRESSAVG: 670800 32.27 -30.0959 -44.4521 -30.856 -55.1821 -24.7624 -46.7495 -22.954 1.40583 TIMING: 670800 CPU: 2179.69, 0.00318137/step Wall: 2179.69, 0.00318137/step, 3.82577 hours remaining, 232.878906 MB of memory in use. ENERGY: 670800 4032.2924 20660.3037 14486.0678 249.1228 -203302.3988 2569.8584 0.0000 0.0000 52133.3828 -109171.3708 299.6113 -161304.7536 -108830.0680 300.1035 275.1943 309.1822 758813.1049 -7.1760 -7.1688 PRESSURE: 671000 -28.6299 -209.557 161.256 -209.557 -179.579 -185.843 161.256 -185.843 -32.6052 GPRESSURE: 671000 55.5229 -134.095 93.3549 -269.256 -221.172 -97.7884 227.999 -242.196 14.5264 PRESSAVG: 671000 58.2633 -9.95759 -44.2402 -9.95754 -46.5179 31.267 -44.2401 31.267 20.3198 GPRESSAVG: 671000 58.5179 -9.14774 -44.6265 -10.0735 -47.3216 32.415 -43.0986 31.0551 20.5148 TIMING: 671000 CPU: 2180.33, 0.00319602/step Wall: 2180.33, 0.00319602/step, 3.84322 hours remaining, 232.878906 MB of memory in use. ENERGY: 671000 3955.8956 20546.9302 14560.9988 247.5884 -202896.0154 2241.8783 0.0000 0.0000 52019.8007 -109322.9234 298.9585 -161342.7242 -108964.3778 299.9449 -80.2714 -50.3743 760464.4732 10.6884 10.5704 PRESSURE: 671200 172.618 129.215 103.704 129.216 -163.629 13.898 103.703 13.8984 -69.1555 GPRESSURE: 671200 152.993 101.057 93.4933 100.997 -82.669 125.386 68.2773 -56.8822 -44.1886 PRESSAVG: 671200 39.654 -20.1767 -18.3458 -20.1766 -52.7643 79.9369 -18.3458 79.937 7.56538 GPRESSAVG: 671200 39.7227 -21.8779 -19.0793 -19.3815 -52.4212 78.8801 -16.512 80.9535 7.33332 TIMING: 671200 CPU: 2180.98, 0.00324162/step Wall: 2180.98, 0.00324162/step, 3.89787 hours remaining, 232.878906 MB of memory in use. ENERGY: 671200 4055.9752 20321.3701 14446.4172 252.3909 -203295.6878 2536.6181 0.0000 0.0000 52216.1865 -109466.7297 300.0871 -161682.9163 -109087.9345 299.9862 -20.0555 8.7118 761199.9989 -1.8483 -1.7884 PRESSURE: 671400 179.598 -124.388 368.959 -124.387 69.8287 71.5695 368.96 71.569 -46.1735 GPRESSURE: 671400 202.465 -97.2996 204.946 -247.513 59.9061 137.744 215.648 2.29373 29.1416 PRESSAVG: 671400 20.7219 -20.4289 0.346244 -20.4288 -46.028 3.405 0.34628 3.40501 5.21778 GPRESSAVG: 671400 20.8103 -19.521 0.974055 -19.5861 -46.5449 3.22134 -0.526434 2.29033 5.6579 TIMING: 671400 CPU: 2181.63, 0.00325252/step Wall: 2181.63, 0.00325252/step, 3.9108 hours remaining, 232.878906 MB of memory in use. ENERGY: 671400 3986.6578 20700.0868 14418.6724 252.3092 -203455.5130 2581.5686 0.0000 0.0000 52049.0173 -109467.2009 299.1264 -161516.2182 -109103.6308 299.5408 67.7512 97.1708 760164.3032 -6.6961 -6.6922 PRESSURE: 671600 6.3709 88.0326 162.256 88.0329 209.41 70.5184 162.256 70.5189 -371.89 GPRESSURE: 671600 92.3881 44.2478 207.993 104.017 195.058 100.863 16.0345 127.95 -357.02 PRESSAVG: 671600 52.2753 -8.2599 -24.2079 -8.25989 -58.9692 -22.1693 -24.2079 -22.1692 2.18252 GPRESSAVG: 671600 51.9784 -8.52273 -24.5466 -8.84123 -58.1254 -23.273 -26.4258 -21.0315 1.91688 TIMING: 671600 CPU: 2182.27, 0.00320141/step Wall: 2182.27, 0.00320141/step, 3.84916 hours remaining, 232.878906 MB of memory in use. ENERGY: 671600 3945.8199 20655.4834 14441.0159 246.6961 -203037.9510 2440.2499 0.0000 0.0000 51664.2823 -109644.4035 296.9153 -161308.6858 -109277.6889 299.1265 -52.0365 -23.1914 763274.1808 -1.5038 -1.4101 PRESSURE: 671800 -51.8664 120.854 -145.69 120.853 -150.084 -30.7317 -145.69 -30.7316 -97.8128 GPRESSURE: 671800 56.0075 73.5815 -218.667 153.885 -94.6623 -49.7902 -0.760603 -114.843 -171.081 PRESSAVG: 671800 82.0613 0.856786 -25.2855 0.856749 -59.6005 -20.1558 -25.2855 -20.1557 -7.79637 GPRESSAVG: 671800 84.1193 -0.447387 -26.0169 2.29637 -59.8235 -19.0789 -23.688 -21.1074 -9.62776 TIMING: 671800 CPU: 2182.91, 0.00321865/step Wall: 2182.91, 0.00321865/step, 3.86971 hours remaining, 232.878906 MB of memory in use. ENERGY: 671800 4017.6109 20340.0111 14455.5029 250.0744 -203756.9727 2975.6915 0.0000 0.0000 52266.5039 -109451.5780 300.3763 -161718.0819 -109087.7109 299.0902 -99.9209 -69.9121 761942.9978 4.8881 4.8893 PRESSURE: 672000 -50.1986 -117.648 -155.438 -117.648 -312.513 -73.3424 -155.437 -73.3417 -55.0931 GPRESSURE: 672000 -95.3861 -14.743 -115.016 -138.328 -168.686 -67.4756 -5.83943 -73.9461 -50.187 PRESSAVG: 672000 32.5894 -9.43479 -33.8738 -9.43479 -30.7257 0.673643 -33.8738 0.673616 -12.2478 GPRESSAVG: 672000 31.411 -8.34517 -32.4762 -8.52767 -30.9236 0.897467 -34.5912 2.13219 -10.3863 TIMING: 672000 CPU: 2183.55, 0.00318725/step Wall: 2183.55, 0.00318725/step, 3.83178 hours remaining, 232.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 4007.1744 20598.0347 14459.9949 259.5699 -203248.5929 2489.0917 0.0000 0.0000 51864.5469 -109570.1804 298.0663 -161434.7273 -109211.3931 299.4153 -139.2681 -104.7531 761498.6306 -3.4614 -3.2996 PRESSURE: 672200 132.583 -30.3977 82.0087 -30.3984 25.3314 337.752 82.0085 337.753 188.439 GPRESSURE: 672200 192.274 -70.7159 39.8627 -38.0147 5.70782 283.391 -11.6455 209.66 227.052 PRESSAVG: 672200 13.2088 41.2085 -67.7122 41.2085 -33.8584 3.65591 -67.7122 3.65586 -9.67302 GPRESSAVG: 672200 14.2351 42.9786 -68.537 38.8083 -35.2675 2.48104 -65.9869 4.07338 -9.2414 TIMING: 672200 CPU: 2184.18, 0.00318012/step Wall: 2184.18, 0.00318012/step, 3.82304 hours remaining, 232.878906 MB of memory in use. ENERGY: 672200 3924.8505 20272.5953 14486.1272 248.0155 -202941.5071 2315.8861 0.0000 0.0000 52025.9561 -109668.0764 298.9939 -161694.0325 -109303.2882 299.1048 115.4512 141.6780 759696.7815 -10.1076 -10.0913 LDB: ============= START OF LOAD BALANCING ============== 2196.61 LDB: ============== END OF LOAD BALANCING =============== 2196.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2196.61 LDB: ============= START OF LOAD BALANCING ============== 2196.93 LDB: Largest compute 7034 load 0.032706 is 16.8% of average load 0.195002 LDB: Average compute 0.004376 is 2.2% of average load 0.195002 LDB: TIME 2196.94 LOAD: AVG 0.195002 MAX 0.212625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.215 MB LDB: TIME 2196.94 LOAD: AVG 0.195002 MAX 0.212625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: TIME 2196.94 LOAD: AVG 0.195002 MAX 0.212625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: ============== END OF LOAD BALANCING =============== 2196.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2196.94 PRESSURE: 672400 207.434 75.2996 -70.6097 75.2999 411.933 -67.8618 -70.6094 -67.8611 244 GPRESSURE: 672400 313.684 176.509 -49.3447 172.032 433.637 -74.7213 6.77407 -129.897 199.203 PRESSAVG: 672400 -15.3594 -1.76463 -21.0335 -1.76456 -30.7942 22.985 -21.0335 22.985 -11.8645 GPRESSAVG: 672400 -16.496 -5.50263 -20.7211 1.62194 -29.5685 24.248 -21.0471 21.282 -12.5316 TIMING: 672400 CPU: 2184.84, 0.00327131/step Wall: 2184.84, 0.00327131/step, 3.93248 hours remaining, 230.304688 MB of memory in use. ENERGY: 672400 3946.6021 20510.6416 14433.7603 264.2717 -203450.9888 2636.2976 0.0000 0.0000 52113.5051 -109545.9103 299.4970 -161659.4154 -109182.7780 299.1171 287.7890 315.5078 760980.8542 -19.3393 -19.5320 PRESSURE: 672600 53.9631 -74.9767 93.8618 -74.977 72.6719 -63.652 93.8624 -63.6536 131.59 GPRESSURE: 672600 97.7145 -34.6646 82.9879 32.2938 101.738 -82.2935 -53.6207 -100.814 150.384 PRESSAVG: 672600 33.4118 -62.417 0.966187 -62.417 29.8259 -51.3038 0.966155 -51.3038 -7.55295 GPRESSAVG: 672600 32.596 -61.054 -0.68 -62.8088 30.8306 -50.9834 0.487365 -49.7407 -7.48021 TIMING: 672600 CPU: 2185.48, 0.00319671/step Wall: 2185.48, 0.00319671/step, 3.84262 hours remaining, 230.304688 MB of memory in use. ENERGY: 672600 4027.6826 20370.5861 14561.9586 264.2392 -203309.2252 2421.8983 0.0000 0.0000 52161.3243 -109501.5361 299.7718 -161662.8604 -109133.6401 299.0787 86.0750 116.6122 759618.8360 18.5616 18.6488 PRESSURE: 672800 -60.732 -33.7083 9.83699 -33.7075 -53.1861 -33.3517 9.83662 -33.3507 -258.94 GPRESSURE: 672800 -39.0232 18.9884 -8.92502 -17.5132 14.1637 -5.83717 52.4913 -21.0445 -249.649 PRESSAVG: 672800 13.0412 11.5664 5.19368 11.5664 7.64843 -22.0345 5.19368 -22.0345 3.42094 GPRESSAVG: 672800 15.0603 11.3046 6.4974 12.0933 6.51977 -23.2818 4.2835 -22.4741 3.0895 TIMING: 672800 CPU: 2186.12, 0.00318754/step Wall: 2186.12, 0.00318754/step, 3.83142 hours remaining, 230.304688 MB of memory in use. ENERGY: 672800 3973.3938 20534.0744 14405.2710 246.1679 -203262.0483 2428.7749 0.0000 0.0000 52008.7004 -109665.6660 298.8947 -161674.3664 -109298.0658 299.2052 -124.2860 -91.5028 761174.8296 8.0369 8.2232 PRESSURE: 673000 146.979 -40.3527 97.6103 -40.3531 -295.012 308.659 97.61 308.659 177.725 GPRESSURE: 673000 187.044 60.0675 47.1919 -119.551 -246.647 267.686 6.51601 119.676 187.528 PRESSAVG: 673000 20.3055 5.60348 -3.20508 5.60347 -50.9445 -23.311 -3.20508 -23.311 33.1572 GPRESSAVG: 673000 19.3184 5.8908 -3.26914 2.88875 -49.7111 -23.7224 -3.9819 -22.2141 32.9999 TIMING: 673000 CPU: 2186.76, 0.00320074/step Wall: 2186.76, 0.00320074/step, 3.84711 hours remaining, 230.304688 MB of memory in use. ENERGY: 673000 3978.7688 20418.7888 14447.6648 233.0050 -203498.2829 2418.9014 0.0000 0.0000 51951.6195 -110049.5347 298.5667 -162001.1542 -109691.0116 298.3330 9.8973 42.6418 760643.7529 0.8394 0.8691 PRESSURE: 673200 -115.223 -53.0184 -53.4449 -53.0175 -218.876 -120.082 -53.4447 -120.081 92.6674 GPRESSURE: 673200 -58.4424 51.167 -22.4666 -26.1259 -205.459 -91.2923 59.0084 -98.6901 113.36 PRESSAVG: 673200 31.1068 9.88643 40.8039 9.88649 4.69569 29.9744 40.8039 29.9744 -22.0501 GPRESSAVG: 673200 31.5167 9.69257 41.833 12.8858 3.64644 30.8414 38.9006 27.52 -21.4382 TIMING: 673200 CPU: 2187.4, 0.00323512/step Wall: 2187.4, 0.00323512/step, 3.88826 hours remaining, 230.304688 MB of memory in use. ENERGY: 673200 4022.3880 20409.3955 14449.6849 269.8499 -203389.8379 2372.2703 0.0000 0.0000 51987.1467 -109879.1026 298.7708 -161866.2493 -109528.1382 297.9783 -80.4771 -50.1802 761818.3203 4.5841 4.5750 PRESSURE: 673400 -155.335 20.1539 192.688 20.1542 -546.86 -77.6755 192.688 -77.6744 41.4873 GPRESSURE: 673400 -123.64 135.382 225.6 21.831 -490.076 -157.986 20.8726 -60.9489 22.8107 PRESSAVG: 673400 36.182 -33.3324 -60.022 -33.3323 -29.0619 2.10777 -60.0219 2.10785 34.6749 GPRESSAVG: 673400 36.6868 -31.3731 -61.7283 -35.964 -28.7155 3.54329 -57.7292 3.49567 33.7506 TIMING: 673400 CPU: 2188.05, 0.00323093/step Wall: 2188.05, 0.00323093/step, 3.88304 hours remaining, 230.304688 MB of memory in use. ENERGY: 673400 3931.3889 20613.3524 14495.8713 262.2048 -203414.9757 2539.9685 0.0000 0.0000 51911.7867 -109660.4030 298.3378 -161572.1897 -109308.0837 298.3362 -220.2360 -196.9682 761215.5138 13.9317 13.9073 PRESSURE: 673600 -347.828 -34.1327 -17.4326 -34.1337 -116.11 -147.669 -17.4324 -147.669 -95.1156 GPRESSURE: 673600 -244.073 -130.96 -46.9938 31.4067 -136.129 -152.77 -98.3838 -34.5594 -90.4518 PRESSAVG: 673600 0.714202 -30.171 56.6718 -30.1709 2.7037 14.9437 56.6718 14.9438 -10.9584 GPRESSAVG: 673600 0.0523239 -30.9013 57.0216 -28.0026 2.85495 12.7302 57.6831 14.8471 -10.6047 TIMING: 673600 CPU: 2188.69, 0.00319365/step Wall: 2188.69, 0.00319364/step, 3.83805 hours remaining, 230.304688 MB of memory in use. ENERGY: 673600 3987.7096 20592.2927 14455.5830 235.9005 -202938.4080 2278.0359 0.0000 0.0000 51742.9323 -109645.9540 297.3673 -161388.8863 -109292.2153 298.8377 -186.3511 -156.8845 761350.7630 -2.5135 -2.5658 PRESSURE: 673800 -218.758 -211.615 -344.669 -211.614 315.248 -38.8724 -344.668 -38.8717 -268.966 GPRESSURE: 673800 -215.253 -250.37 -316.695 -207.879 333.585 33.2126 -282.559 -68.7724 -210.355 PRESSAVG: 673800 -98.1011 -68.2447 -34.7617 -68.2447 23.4145 10.7988 -34.7616 10.7987 -7.83756 GPRESSAVG: 673800 -98.2412 -67.7502 -34.6254 -66.4156 23.7606 12.293 -33.9307 10.5895 -7.85921 TIMING: 673800 CPU: 2189.32, 0.00316877/step Wall: 2189.32, 0.00316877/step, 3.80798 hours remaining, 230.304688 MB of memory in use. ENERGY: 673800 4053.0742 20460.3290 14466.2465 236.0204 -203306.2768 2419.9660 0.0000 0.0000 52021.5796 -109649.0610 298.9687 -161670.6407 -109285.0116 298.7543 -57.4920 -30.6744 760632.4267 -27.5081 -27.4466 PRESSURE: 674000 -106.699 -119.089 317.701 -119.089 -458.557 82.0553 317.701 82.0556 36.617 GPRESSURE: 674000 -123.135 -246.028 351.451 -95.6336 -322.509 94.6444 284.394 -16.0282 1.69389 PRESSAVG: 674000 28.8907 -41.522 -12.1132 -41.522 10.8626 -7.56399 -12.1131 -7.56402 -17.7021 GPRESSAVG: 674000 28.1613 -42.4416 -12.7062 -44.2568 11.1171 -8.61391 -14.5731 -6.8736 -17.3174 TIMING: 674000 CPU: 2189.96, 0.00317052/step Wall: 2189.96, 0.00317052/step, 3.80991 hours remaining, 230.304688 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: 674000 4008.5479 20655.5917 14496.9852 224.0832 -203374.8680 2610.1003 0.0000 0.0000 51821.4267 -109558.1332 297.8185 -161379.5599 -109210.5062 298.8084 -176.2131 -147.9834 762260.3545 7.3504 7.3203 PRESSURE: 674200 106.056 1.30764 -261.2 1.30794 322.839 99.2598 -261.199 99.2601 -134.642 GPRESSURE: 674200 173.979 -56.7358 -265.698 -37.664 283.562 191.068 -240.847 145.489 -92.4275 PRESSAVG: 674200 -32.1925 8.8269 8.68435 8.82694 6.01363 20.7498 8.68434 20.7498 -3.19564 GPRESSAVG: 674200 -32.0418 9.71347 9.66994 8.13947 5.25477 24.4903 9.91272 21.5218 -2.95718 TIMING: 674200 CPU: 2190.6, 0.00323255/step Wall: 2190.6, 0.00323255/step, 3.88427 hours remaining, 230.304688 MB of memory in use. ENERGY: 674200 3994.1727 20431.2269 14452.3772 237.2381 -203141.0589 2540.2879 0.0000 0.0000 52000.4904 -109485.2658 298.8475 -161485.7562 -109126.8234 298.9505 98.0842 121.7046 759639.3134 -9.7915 -9.9147 PRESSURE: 674400 -10.1174 35.2601 99.2384 35.2598 38.2984 66.4292 99.2388 66.4292 201.194 GPRESSURE: 674400 35.2962 -6.56392 57.595 107.763 87.3812 147.076 48.9758 36.8836 184.862 PRESSAVG: 674400 -54.5716 -20.3003 24.8277 -20.3004 -12.7612 14.4272 24.8277 14.4272 3.68639 GPRESSAVG: 674400 -53.9323 -20.5375 24.3968 -18.8605 -12.1058 11.1773 24.6113 15.3554 2.67346 TIMING: 674400 CPU: 2191.25, 0.00324237/step Wall: 2191.25, 0.00324237/step, 3.89589 hours remaining, 230.304688 MB of memory in use. ENERGY: 674400 3994.6548 20586.7995 14486.5899 244.7418 -203366.9839 2436.2071 0.0000 0.0000 52009.0624 -109608.9284 298.8968 -161617.9908 -109250.6211 299.0450 76.4584 102.5130 759120.1445 -21.2155 -21.1215 PRESSURE: 674600 -3.96322 -7.92092 13.552 -7.92135 167.643 187.056 13.552 187.056 -103.045 GPRESSURE: 674600 60.3046 -40.0557 80.4275 -26.2527 217.489 219.293 205.563 104.541 -125.747 PRESSAVG: 674600 26.5389 -51.0526 93.6692 -51.0526 25.1509 -35.376 93.6692 -35.3759 -24.231 GPRESSAVG: 674600 25.1362 -52.4601 92.9081 -50.9124 23.9055 -34.6914 95.4145 -35.127 -21.8446 TIMING: 674600 CPU: 2191.89, 0.00320893/step Wall: 2191.89, 0.00320893/step, 3.85553 hours remaining, 230.304688 MB of memory in use. ENERGY: 674600 3916.6403 20486.9977 14478.0544 255.3484 -203440.8612 2535.4941 0.0000 0.0000 52146.0061 -109622.3202 299.6838 -161768.3263 -109257.5212 298.8902 20.2115 50.6822 759490.0857 9.1529 9.0657 PRESSURE: 674800 -291.257 -235.83 60.5396 -235.83 -343.093 -174.836 60.5398 -174.836 17.9683 GPRESSURE: 674800 -208.84 -232.263 -7.54101 -203.615 -275.163 -286.604 78.1413 -198.968 -43.5811 PRESSAVG: 674800 -49.4901 -55.8087 33.6294 -55.8088 -22.8076 33.374 33.6294 33.374 13.2967 GPRESSAVG: 674800 -49.4907 -56.2558 35.172 -56.7556 -21.5898 33.0796 32.2838 30.6072 11.6819 TIMING: 674800 CPU: 2192.53, 0.00319825/step Wall: 2192.53, 0.00319825/step, 3.84253 hours remaining, 230.304688 MB of memory in use. ENERGY: 674800 3945.7036 20556.7193 14483.1136 243.2365 -202929.0901 2211.7873 0.0000 0.0000 51919.8339 -109568.6959 298.3840 -161488.5298 -109211.2844 298.8741 -205.4604 -175.8615 761864.9195 -19.6670 -19.7995 PRESSURE: 675000 -62.7046 -73.588 -127.857 -73.5879 62.4107 11.252 -127.857 11.2536 -71.7815 GPRESSURE: 675000 -94.5087 -99.0107 -151.853 -102.803 107.412 19.7834 -92.4155 56.2633 -5.74251 PRESSAVG: 675000 -5.49566 -55.4343 -50.1291 -55.4343 6.93734 25.7939 -50.1292 25.794 -1.33974 GPRESSAVG: 675000 -5.34436 -54.0681 -50.5385 -56.8774 5.9752 27.2905 -49.9128 26.0722 -0.860078 TIMING: 675000 CPU: 2193.17, 0.00318593/step Wall: 2193.17, 0.00318593/step, 3.82754 hours remaining, 230.304688 MB of memory in use. ENERGY: 675000 3979.0326 20283.1402 14508.1611 247.6132 -203566.5271 2605.3724 0.0000 0.0000 52135.7263 -109807.4813 299.6247 -161943.2076 -109440.0492 299.1518 -24.0251 2.3868 761062.8386 0.0340 -0.0764 PRESSURE: 675200 -303.846 -38.282 -138.764 -38.2824 -354.106 86.3243 -138.766 86.3234 -41.4346 GPRESSURE: 675200 -274.519 -36.209 -73.4645 -78.7645 -316.32 105.261 -7.52986 100.309 -28.6397 PRESSAVG: 675200 -6.05991 -29.5876 -19.2917 -29.5876 53.1757 7.41085 -19.2917 7.41085 16.0202 GPRESSAVG: 675200 -5.78116 -28.0622 -19.9463 -26.7974 53.5948 7.29773 -18.9534 7.87681 15.2238 TIMING: 675200 CPU: 2193.8, 0.00316632/step Wall: 2193.8, 0.00316632/step, 3.80381 hours remaining, 230.304688 MB of memory in use. ENERGY: 675200 4010.8109 20307.4317 14517.2199 250.5312 -203050.2750 2455.1864 0.0000 0.0000 52144.8662 -109364.2288 299.6773 -161509.0950 -108999.2233 298.6363 -233.1289 -206.4930 762286.9006 21.0453 21.0125 PRESSURE: 675400 -661.636 -110.97 -112.957 -110.97 -170.772 -76.8335 -112.957 -76.834 -172.917 GPRESSURE: 675400 -604.06 -258.435 -32.8783 -139.14 -168.116 63.7571 -133.042 -119.528 -182.931 PRESSAVG: 675400 -8.50341 -63.7564 3.45134 -63.7563 -24.8994 3.31743 3.45135 3.31747 11.1303 GPRESSAVG: 675400 -8.6675 -65.6583 4.3944 -64.0291 -25.7488 1.61632 2.46079 4.90304 11.5316 TIMING: 675400 CPU: 2194.44, 0.00317044/step Wall: 2194.44, 0.00317044/step, 3.80858 hours remaining, 230.304688 MB of memory in use. ENERGY: 675400 4024.3643 20489.5743 14447.7347 255.0801 -203019.1704 2493.2493 0.0000 0.0000 51824.3730 -109484.7947 297.8354 -161309.1676 -109126.8156 298.9924 -335.1082 -318.3694 762021.3900 -7.4242 -7.6282 PRESSURE: 675600 -128.588 26.3258 -100.136 26.3266 82.0916 -22.4628 -100.136 -22.4621 -188.437 GPRESSURE: 675600 -22.3842 33.2822 -145.644 -27.0835 63.0526 -7.9863 -110.459 -32.271 -191.57 PRESSAVG: 675600 32.6842 -45.1328 -18.1781 -45.1328 -35.2571 4.37074 -18.1781 4.37074 20.6865 GPRESSAVG: 675600 34.0877 -45.8894 -18.2657 -46.5552 -35.9553 4.17447 -15.9509 1.97249 20.1813 TIMING: 675600 CPU: 2195.07, 0.0031739/step Wall: 2195.07, 0.0031739/step, 3.81256 hours remaining, 230.304688 MB of memory in use. ENERGY: 675600 3956.4712 20622.8035 14486.4594 264.7240 -203050.0756 2374.3542 0.0000 0.0000 51763.9312 -109581.3322 297.4880 -161345.2634 -109239.2917 298.6924 -78.3111 -50.3005 761921.4589 6.0379 6.1046 PRESSURE: 675800 7.29084 188.624 -36.3423 188.625 -330.179 -102.965 -36.3429 -102.966 55.002 GPRESSURE: 675800 48.3299 144.352 -52.0263 189.115 -173.744 -46.48 -88.4415 -87.9304 -44.4857 PRESSAVG: 675800 17.9598 0.153332 18.3015 0.153327 -39.2817 4.06753 18.3014 4.06758 3.57717 GPRESSAVG: 675800 16.4934 1.02988 18.1902 1.06386 -38.7382 5.00895 16.8942 5.19069 3.73439 TIMING: 675800 CPU: 2195.71, 0.00319914/step Wall: 2195.71, 0.00319914/step, 3.8427 hours remaining, 230.304688 MB of memory in use. ENERGY: 675800 3946.2801 20316.5832 14552.7456 243.9751 -203193.8724 2495.7242 0.0000 0.0000 51922.3091 -109716.2551 298.3982 -161638.5642 -109353.5584 298.2542 -89.2954 -56.6333 759923.2017 -5.9149 -6.1701 PRESSURE: 676000 -377.93 -80.959 -51.812 -80.9591 21.8806 -51.6963 -51.8125 -51.6958 -80.1617 GPRESSURE: 676000 -262.125 45.8649 -72.8551 -67.0896 71.354 -71.0584 1.44068 -38.6996 -169.773 PRESSAVG: 676000 38.1254 -84.4642 58.6283 -84.4642 -93.7102 19.9827 58.6283 19.9826 4.64749 GPRESSAVG: 676000 38.3598 -82.8974 58.1211 -84.4715 -93.83 19.858 58.7397 20.2173 4.42911 TIMING: 676000 CPU: 2196.35, 0.00320259/step Wall: 2196.35, 0.00320259/step, 3.84666 hours remaining, 230.304688 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: 676000 3913.8038 20437.3095 14443.8061 248.0045 -203377.5798 2441.8845 0.0000 0.0000 51899.4795 -109993.2918 298.2670 -161892.7713 -109624.8041 298.1545 -145.4038 -120.1813 760423.5992 -16.9791 -17.0137 PRESSURE: 676200 -311.135 -32.2626 -116.078 -32.2622 -257.568 -58.3811 -116.078 -58.3798 11.3661 GPRESSURE: 676200 -321.483 37.8569 -134.907 -50.0321 -256.424 -43.9369 -150.491 -76.5685 97.0129 PRESSAVG: 676200 -18.8331 -36.5017 -15.7242 -36.5016 6.40721 44.9766 -15.7242 44.9766 1.08943 GPRESSAVG: 676200 -18.9923 -38.4402 -15.9737 -36.0677 7.44882 43.796 -14.9037 45.6855 -0.0456223 TIMING: 676200 CPU: 2196.99, 0.00317838/step Wall: 2196.99, 0.00317838/step, 3.81741 hours remaining, 230.304688 MB of memory in use. ENERGY: 676200 3967.6903 20332.4407 14456.3674 252.1306 -203462.5327 2412.4103 0.0000 0.0000 52010.8480 -110030.6452 298.9071 -162041.4932 -109669.3801 298.2734 -185.7788 -160.2980 759174.8461 -3.7788 -3.8630 LDB: ============= START OF LOAD BALANCING ============== 2209.41 LDB: ============== END OF LOAD BALANCING =============== 2209.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2209.42 LDB: ============= START OF LOAD BALANCING ============== 2209.73 LDB: Largest compute 7073 load 0.034774 is 17.8% of average load 0.195043 LDB: Average compute 0.004361 is 2.2% of average load 0.195043 LDB: TIME 2209.74 LOAD: AVG 0.195043 MAX 0.21586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 2209.74 LOAD: AVG 0.195043 MAX 0.21586 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.531 MB LDB: TIME 2209.74 LOAD: AVG 0.195043 MAX 0.21586 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.531 MB LDB: ============== END OF LOAD BALANCING =============== 2209.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2209.74 PRESSURE: 676400 35.3732 114.156 132.598 114.156 -176.528 27.3339 132.598 27.3345 407.645 GPRESSURE: 676400 153.604 162.174 192.394 66.7759 -192.841 134.731 105.842 43.5566 380.288 PRESSAVG: 676400 35.7914 -50.2824 -2.21618 -50.2825 27.9776 26.3274 -2.21622 26.3274 10.0226 GPRESSAVG: 676400 36.328 -49.6228 -1.45681 -51.3678 26.5205 26.6842 -0.955302 24.0924 10.8572 TIMING: 676400 CPU: 2197.64, 0.00324542/step Wall: 2197.64, 0.00324542/step, 3.89775 hours remaining, 230.816406 MB of memory in use. ENERGY: 676400 3960.6720 20474.5287 14522.8309 223.4681 -203234.2080 2279.7717 0.0000 0.0000 51857.4308 -109915.5057 298.0254 -161772.9366 -109556.4655 297.8775 88.8302 113.6837 759728.6222 24.5972 24.5686 PRESSURE: 676600 -217.213 -225.373 -13.602 -225.373 -301.058 -13.2864 -13.603 -13.2854 -137.085 GPRESSURE: 676600 -209.52 -100.736 -50.9019 -79.2492 -321.35 19.5641 -77.7614 -63.8091 -22.1751 PRESSAVG: 676600 -2.5473 23.7615 -35.1291 23.7615 -33.0554 8.48048 -35.1291 8.48048 16.8503 GPRESSAVG: 676600 -2.69902 25.6694 -35.7457 23.5985 -32.8731 8.87661 -38.608 9.60843 17.4121 TIMING: 676600 CPU: 2198.27, 0.00316541/step Wall: 2198.27, 0.00316541/step, 3.80148 hours remaining, 230.886719 MB of memory in use. ENERGY: 676600 3945.9370 20617.0767 14431.6937 236.8872 -203284.8415 2216.3553 0.0000 0.0000 51877.8707 -109959.0208 298.1428 -161836.8916 -109603.5328 298.2963 -218.4520 -184.3481 760278.6450 -6.2508 -6.0533 PRESSURE: 676800 -169.975 82.1016 98.1169 82.1021 -349.269 -169.046 98.117 -169.047 -193.646 GPRESSURE: 676800 -89.2517 -44.7983 117.733 -94.3173 -301.103 -135.435 173.907 -6.41429 -220.91 PRESSAVG: 676800 11.0068 -22.5221 -28.3716 -22.5221 -25.9622 -28.285 -28.3716 -28.285 -17.6128 GPRESSAVG: 676800 11.2347 -26.1566 -27.6968 -22.3486 -25.7904 -28.8643 -28.9808 -26.5019 -17.9754 TIMING: 676800 CPU: 2198.91, 0.00318308/step Wall: 2198.91, 0.00318308/step, 3.82253 hours remaining, 230.886719 MB of memory in use. ENERGY: 676800 3896.9598 20351.0763 14519.0128 231.3407 -203442.5641 2361.0328 0.0000 0.0000 52069.7351 -110013.4066 299.2455 -162083.1417 -109641.8642 298.0390 -237.6299 -203.7551 760841.7100 -10.8561 -10.8437 PRESSURE: 677000 154.605 -25.5405 -61.2888 -25.5397 11.4931 -250.712 -61.2882 -250.713 209.229 GPRESSURE: 677000 165.731 3.54636 -75.2012 -16.5954 65.7641 -263.923 10.3991 -233.215 231.961 PRESSAVG: 677000 16.8336 -29.7518 -11.1559 -29.7518 7.5516 -45.7005 -11.1559 -45.7005 3.69325 GPRESSAVG: 677000 18.271 -27.7729 -11.9605 -27.6852 6.34008 -46.1906 -9.20902 -47.6573 4.04754 TIMING: 677000 CPU: 2199.54, 0.00317197/step Wall: 2199.54, 0.00317197/step, 3.809 hours remaining, 230.886719 MB of memory in use. ENERGY: 677000 3930.1482 20401.9237 14557.4708 251.7006 -203566.0725 2498.0872 0.0000 0.0000 51842.8836 -110083.8585 297.9418 -161926.7421 -109733.9827 298.6575 125.1093 154.4853 760323.2112 9.3595 9.5529 PRESSURE: 677200 157.473 -47.578 -148.373 -47.5784 -307.425 -153.057 -148.373 -153.058 -124.753 GPRESSURE: 677200 112.583 -51.3895 -263.086 29.81 -167.181 -246.593 -112.892 -149.156 -126.52 PRESSAVG: 677200 23.6691 -25.2545 -37.381 -25.2546 5.91448 -80.8937 -37.3811 -80.8937 -13.4192 GPRESSAVG: 677200 21.1806 -27.1829 -37.8645 -26.5123 7.32128 -78.846 -36.6983 -82.5317 -12.2554 TIMING: 677200 CPU: 2200.17, 0.00315564/step Wall: 2200.17, 0.00315564/step, 3.78922 hours remaining, 230.886719 MB of memory in use. ENERGY: 677200 3965.4570 20504.3124 14462.4037 248.5210 -203875.7477 2776.4663 0.0000 0.0000 51859.8450 -110058.7424 298.0392 -161918.5873 -109706.7880 297.9200 -91.5683 -60.3729 761327.8737 5.3881 5.4155 PRESSURE: 677400 229.563 -192.195 181.452 -192.196 -47.5735 -177.229 181.452 -177.229 63.6424 GPRESSURE: 677400 269.648 -163.192 151.425 -325.006 32.3372 -174.699 106.518 121.952 48.7655 PRESSAVG: 677400 18.5266 13.9585 -8.60765 13.9584 -22.5526 13.6754 -8.60765 13.6753 8.37062 GPRESSAVG: 677400 20.2386 14.5558 -8.29824 14.0274 -23.0345 11.2822 -11.1496 17.8289 7.73156 TIMING: 677400 CPU: 2200.81, 0.00317794/step Wall: 2200.81, 0.00317794/step, 3.81583 hours remaining, 230.886719 MB of memory in use. ENERGY: 677400 3948.5890 20263.5825 14507.2665 258.0002 -203819.4541 2925.1230 0.0000 0.0000 51818.8120 -110098.0809 297.8034 -161916.8929 -109735.3555 298.0452 81.8772 116.9170 762380.3252 1.4482 1.6452 PRESSURE: 677600 -93.77 42.7441 33.582 42.7448 -59.7371 -165.347 33.5824 -165.347 -111.628 GPRESSURE: 677600 -29.145 69.9215 -21.7919 113.921 -12.2742 -115.593 20.5763 -209.846 -144.507 PRESSAVG: 677600 -32.7055 -31.2476 34.9427 -31.2476 16.1708 37.6662 34.9426 37.6662 -6.48249 GPRESSAVG: 677600 -33.2167 -30.539 36.5048 -33.2505 16.8213 38.1207 35.733 34.6985 -6.47393 TIMING: 677600 CPU: 2201.44, 0.00315043/step Wall: 2201.44, 0.00315043/step, 3.78262 hours remaining, 230.886719 MB of memory in use. ENERGY: 677600 4038.0392 20466.7177 14501.0443 242.0650 -203201.2275 2383.8032 0.0000 0.0000 51643.6149 -109925.9431 296.7966 -161569.5580 -109570.3345 298.0958 -88.3785 -61.9755 763523.0790 -7.6724 -7.6231 PRESSURE: 677800 -138.461 -11.1393 55.4809 -11.1398 -104.46 -66.9612 55.48 -66.9617 108.542 GPRESSURE: 677800 -80.5384 -81.334 -27.2131 -10.0072 -88.8744 1.2192 -107.361 -3.17537 115.516 PRESSAVG: 677800 40.9316 -35.4254 -37.9463 -35.4255 3.85007 20.3751 -37.9463 20.375 -10.2147 GPRESSAVG: 677800 40.8303 -35.7198 -39.3215 -33.6197 3.9869 19.6717 -37.4727 21.5037 -10.3194 TIMING: 677800 CPU: 2202.07, 0.00316746/step Wall: 2202.07, 0.00316746/step, 3.80289 hours remaining, 230.886719 MB of memory in use. ENERGY: 677800 4008.2644 20356.5003 14524.2696 240.5985 -203600.4228 2589.4355 0.0000 0.0000 51717.8441 -110163.5106 297.2232 -161881.3546 -109822.6634 297.9804 -44.7928 -17.9656 760480.3227 11.5223 11.4993 PRESSURE: 678000 -29.6899 -26.7155 -56.1594 -26.7162 166.822 -27.0581 -56.1593 -27.0593 407.822 GPRESSURE: 678000 -90.2095 -19.6673 -83.3016 3.41942 246.734 50.4014 -6.62977 -44.5926 467.812 PRESSAVG: 678000 3.40893 18.8667 20.5229 18.8667 35.8757 -24.3934 20.5229 -24.3934 -9.12278 GPRESSAVG: 678000 4.58257 20.2603 20.8924 19.0913 34.596 -22.8012 21.3526 -25.6004 -8.64005 TIMING: 678000 CPU: 2202.71, 0.00317806/step Wall: 2202.71, 0.00317805/step, 3.81543 hours remaining, 230.886719 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: 678000 3975.4489 20431.0982 14485.3715 236.2351 -203613.2444 2581.6253 0.0000 0.0000 51795.1680 -110108.2976 297.6675 -161903.4655 -109748.4062 297.8153 181.6516 208.1121 759388.2913 10.0539 10.1795 PRESSURE: 678200 -94.4622 -1.7694 -81.1852 -1.76954 -149.321 12.9157 -81.1854 12.9166 -84.4002 GPRESSURE: 678200 -75.7911 47.6731 -7.98137 -49.7953 -146.918 -39.8198 -84.5469 -93.837 -27.9347 PRESSAVG: 678200 -31.5791 -4.03805 53.8656 -4.03807 6.90933 -1.29907 53.8656 -1.29912 -3.35826 GPRESSAVG: 678200 -32.5826 -4.98036 54.5017 -4.19393 8.18138 -2.92567 51.2387 -0.355596 -3.94935 TIMING: 678200 CPU: 2203.35, 0.00319946/step Wall: 2203.35, 0.00319946/step, 3.84095 hours remaining, 230.886719 MB of memory in use. ENERGY: 678200 3937.0427 20416.5785 14532.7834 245.9412 -203271.6297 2341.0305 0.0000 0.0000 51619.6552 -110178.5982 296.6589 -161798.2535 -109822.7099 297.5106 -109.3944 -83.5478 760387.8574 -9.3427 -9.4502 PRESSURE: 678400 -409.592 35.0291 20.7302 35.0289 -206.763 -133.028 20.7294 -133.027 -60.0596 GPRESSURE: 678400 -356.613 111.159 13.3745 40.2228 -163.342 -96.2979 -41.2124 -73.8072 -89.6913 PRESSAVG: 678400 -12.6073 -10.7553 18.5455 -10.7553 65.1317 -34.9906 18.5455 -34.9906 -10.0061 GPRESSAVG: 678400 -12.8583 -10.8847 18.54 -9.27786 64.557 -35.305 18.7769 -35.7675 -9.53867 TIMING: 678400 CPU: 2203.98, 0.00319018/step Wall: 2203.98, 0.00319018/step, 3.82963 hours remaining, 230.886719 MB of memory in use. ENERGY: 678400 3946.3918 20362.9179 14590.3585 249.3481 -203920.1192 2576.3019 0.0000 0.0000 51979.1811 -110215.6199 298.7251 -162194.8010 -109844.7035 297.6932 -225.4717 -203.2155 759856.1130 14.1728 14.0533 PRESSURE: 678600 43.6577 -45.4353 -247.684 -45.4353 -156.38 112.288 -247.683 112.288 301.703 GPRESSURE: 678600 155.548 34.6607 -308.894 -82.6651 -83.5475 65.514 -146.596 25.1161 229.036 PRESSAVG: 678600 17.1743 -27.6947 30.8624 -27.6947 -42.3907 -10.7874 30.8624 -10.7874 22.7149 GPRESSAVG: 678600 18.1992 -27.743 29.6881 -26.5505 -42.3831 -8.69546 32.5202 -11.915 21.8123 TIMING: 678600 CPU: 2204.62, 0.00319963/step Wall: 2204.62, 0.00319963/step, 3.8408 hours remaining, 230.886719 MB of memory in use. ENERGY: 678600 3966.4528 20449.4810 14401.3843 237.8565 -203321.0293 2187.6099 0.0000 0.0000 51843.2090 -110235.0358 297.9436 -162078.2448 -109870.2427 297.9795 62.9935 100.3453 759493.8560 -0.8338 -0.7905 PRESSURE: 678800 -139.401 -125.702 -32.6821 -125.701 -33.6763 43.2718 -32.6833 43.2739 4.80576 GPRESSURE: 678800 -52.6996 -174.811 14.5791 -190.658 -103.296 0.0446463 14.9933 -8.5293 78.0621 PRESSAVG: 678800 36.2289 -40.6044 -47.0131 -40.6044 -46.5886 -18.8255 -47.013 -18.8255 16.867 GPRESSAVG: 678800 34.9812 -38.6669 -44.7214 -44.5535 -46.8025 -20.4921 -47.3163 -17.4693 17.6257 TIMING: 678800 CPU: 2205.27, 0.00320795/step Wall: 2205.27, 0.00320795/step, 3.85061 hours remaining, 230.886719 MB of memory in use. ENERGY: 678800 3978.5706 20459.2216 14544.8406 247.6588 -203044.2891 2193.4245 0.0000 0.0000 51574.7788 -110045.7942 296.4010 -161620.5730 -109694.8730 297.8339 -56.0905 -25.9780 760713.2311 2.1691 1.9348 PRESSURE: 679000 33.8954 -30.0961 -63.6525 -30.0962 -273.712 -29.6208 -63.6536 -29.6215 219.138 GPRESSURE: 679000 94.2819 18.6336 -110.158 9.2339 -207.289 21.061 -69.9683 40.8688 193.069 PRESSAVG: 679000 80.8449 -4.30168 -49.3894 -4.30168 -84.3237 27.9076 -49.3894 27.9076 0.337846 GPRESSAVG: 679000 81.5921 -5.29978 -49.3869 -1.8024 -84.1514 28.2914 -51.7803 31.338 -0.752518 TIMING: 679000 CPU: 2205.91, 0.00322066/step Wall: 2205.91, 0.00322066/step, 3.86569 hours remaining, 230.886719 MB of memory in use. ENERGY: 679000 3928.6763 20485.8015 14535.1952 240.1021 -203600.1001 2536.1667 0.0000 0.0000 51903.8596 -109970.2986 298.2922 -161874.1582 -109604.7452 297.8392 -6.8926 26.6873 759830.2846 -1.0470 -1.1039 PRESSURE: 679200 200.747 -2.9927 -260.83 -2.99306 -156.017 -138.689 -260.83 -138.69 59.1081 GPRESSURE: 679200 230.28 -28.04 -282.075 -3.28115 -129.98 -138.146 -177.954 47.9893 81.8538 PRESSAVG: 679200 -14.9306 -8.15844 -17.9347 -8.15844 -2.97502 36.6748 -17.9347 36.6747 19.1164 GPRESSAVG: 679200 -15.0914 -8.77706 -18.222 -9.41001 -3.62979 36.6848 -13.1692 34.3808 19.9462 TIMING: 679200 CPU: 2206.55, 0.00320462/step Wall: 2206.55, 0.00320462/step, 3.84626 hours remaining, 230.886719 MB of memory in use. ENERGY: 679200 3944.9948 20507.0222 14582.8804 220.1939 -203654.1760 2526.3155 0.0000 0.0000 52138.9809 -109733.7883 299.6434 -161872.7692 -109373.8490 298.7018 34.6126 60.7179 761053.8694 0.4036 0.4083 PRESSURE: 679400 -94.4827 -161.657 54.5678 -161.657 -24.9282 86.4127 54.5673 86.4118 -207.094 GPRESSURE: 679400 -133.984 -191.056 79.2534 -141.713 62.2285 13.574 49.1891 83.9973 -187.415 PRESSAVG: 679400 -20.5298 -63.1642 -32.7319 -63.1643 6.56433 -17.3764 -32.7319 -17.3764 31.9934 GPRESSAVG: 679400 -21.0702 -62.2425 -31.7925 -62.7817 7.24668 -19.0554 -36.6149 -17.8836 31.5296 TIMING: 679400 CPU: 2207.18, 0.00316034/step Wall: 2207.18, 0.00316034/step, 3.79293 hours remaining, 230.886719 MB of memory in use. ENERGY: 679400 3964.5078 20543.8685 14489.7039 245.8846 -203569.4360 2441.6838 0.0000 0.0000 52003.7893 -109879.9982 298.8665 -161883.7875 -109505.4283 299.0964 -108.8348 -86.3902 761180.9141 6.0093 5.9021 PRESSURE: 679600 -16.7202 -59.7099 -69.6846 -59.7098 -418.547 157.728 -69.6854 157.729 38.6296 GPRESSURE: 679600 53.448 -76.0083 -71.597 -63.3582 -409.879 203.752 -188.644 191.825 31.2089 PRESSAVG: 679600 18.5484 -63.0716 -23.893 -63.0716 -20.8881 -27.3008 -23.8929 -27.3008 0.111724 GPRESSAVG: 679600 18.6009 -62.8762 -24.1946 -63.3895 -20.6716 -25.8589 -23.926 -28.8828 0.0655496 TIMING: 679600 CPU: 2207.82, 0.00316988/step Wall: 2207.82, 0.00316988/step, 3.80421 hours remaining, 230.886719 MB of memory in use. ENERGY: 679600 3972.1448 20562.4936 14473.4998 229.6631 -203669.0884 2803.1873 0.0000 0.0000 51952.4390 -109675.6608 298.5714 -161628.0998 -109318.6374 298.5096 -132.2126 -108.4075 762170.5617 -0.7426 -0.6684 PRESSURE: 679800 397.438 206.239 -57.52 206.239 -300.631 -131.248 -57.5194 -131.25 215.235 GPRESSURE: 679800 308.477 153.959 -1.00969 151.044 -165.679 -28.0298 1.86556 -88.8632 254.674 PRESSAVG: 679800 14.3215 -54.9239 14.313 -54.9238 -71.4731 -2.17109 14.313 -2.17116 -9.65471 GPRESSAVG: 679800 14.0803 -54.6422 13.2757 -54.903 -70.9224 -2.52385 18.7336 1.44578 -10.5435 TIMING: 679800 CPU: 2208.46, 0.00319051/step Wall: 2208.46, 0.00319051/step, 3.82879 hours remaining, 230.886719 MB of memory in use. ENERGY: 679800 3966.8957 20463.3291 14589.6369 248.1882 -203888.2606 2710.6718 0.0000 0.0000 51951.1355 -109958.4035 298.5639 -161909.5390 -109589.8154 298.7575 104.0137 132.4909 759823.7699 -22.2688 -22.4619 PRESSURE: 680000 143.226 -33.4554 126.226 -33.456 99.8148 69.2411 126.227 69.2405 -230.404 GPRESSURE: 680000 230.281 73.225 69.6466 14.2905 93.0387 24.427 61.7536 -40.4283 -225.333 PRESSAVG: 680000 63.4246 -46.9854 14.351 -46.9855 -21.8977 -68.4243 14.3511 -68.4243 11.2103 GPRESSAVG: 680000 62.8512 -47.4535 13.672 -46.1553 -21.5618 -67.452 9.94857 -71.1555 12.2239 TIMING: 680000 CPU: 2209.09, 0.00318795/step Wall: 2209.09, 0.00318795/step, 3.82554 hours remaining, 230.886719 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: 680000 3968.4498 20497.2271 14532.3404 244.5617 -203489.5127 2509.5360 0.0000 0.0000 51955.8635 -109781.5342 298.5911 -161737.3977 -109424.5772 298.6877 4.2125 32.6624 760643.8626 17.5790 17.8378 PRESSURE: 680200 -291.24 203.281 154.905 203.281 245.779 -131.753 154.904 -131.753 170.248 GPRESSURE: 680200 -210.874 180.395 218.527 63.9857 280.103 -100.822 99.1788 -161.177 131.02 PRESSAVG: 680200 -3.36801 -51.1971 22.4195 -51.1971 15.4868 -14.8954 22.4195 -14.8953 3.25607 GPRESSAVG: 680200 -1.11943 -50.3725 21.7568 -54.4994 14.9986 -15.3738 24.0463 -12.1993 1.87058 TIMING: 680200 CPU: 2209.73, 0.00317359/step Wall: 2209.73, 0.00317359/step, 3.80813 hours remaining, 230.886719 MB of memory in use. ENERGY: 680200 3996.2713 20394.4304 14527.8099 231.1311 -203578.0249 2513.3534 0.0000 0.0000 52323.8106 -109591.2182 300.7057 -161915.0288 -109217.6752 299.3535 41.5958 66.7497 759216.6273 5.1249 5.2499 LDB: ============= START OF LOAD BALANCING ============== 2222.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2222.15 LDB: =============== DONE WITH MIGRATION ================ 2222.15 LDB: ============= START OF LOAD BALANCING ============== 2222.47 LDB: Largest compute 7033 load 0.032963 is 16.9% of average load 0.195050 LDB: Average compute 0.004372 is 2.2% of average load 0.195050 LDB: TIME 2222.48 LOAD: AVG 0.19505 MAX 0.214974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.387 MB LDB: TIME 2222.48 LOAD: AVG 0.19505 MAX 0.214974 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.465 MB LDB: TIME 2222.48 LOAD: AVG 0.19505 MAX 0.214974 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.465 MB LDB: ============== END OF LOAD BALANCING =============== 2222.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2222.48 PRESSURE: 680400 191.354 86.6967 447.026 86.696 231.325 216.014 447.025 216.014 -42.8522 GPRESSURE: 680400 209.807 17.9984 351.416 160.45 246.679 178.107 339.52 299.217 24.8286 PRESSAVG: 680400 -17.9755 -17.6266 41.9768 -17.6267 9.62566 -11.8423 41.9768 -11.8422 -18.9924 GPRESSAVG: 680400 -19.6444 -20.0581 41.661 -12.4514 10.0959 -12.8395 41.2396 -13.1124 -17.6249 TIMING: 680400 CPU: 2210.38, 0.00324916/step Wall: 2210.38, 0.00324916/step, 3.89863 hours remaining, 232.425781 MB of memory in use. ENERGY: 680400 3968.3554 20586.8364 14557.0510 225.1071 -203220.9948 2469.6360 0.0000 0.0000 51878.9127 -109535.0962 298.1488 -161414.0089 -109179.0697 299.6154 126.6087 160.4383 759630.4325 -9.1141 -9.0578 PRESSURE: 680600 320.608 53.8963 -22.5794 53.8963 191.414 -14.2151 -22.5797 -14.2143 381.156 GPRESSURE: 680600 394.931 -29.2461 -52.8953 -0.119324 195.662 -105.661 109.031 -145.029 372.549 PRESSAVG: 680600 21.5362 2.38813 -15.4065 2.38815 7.24983 -14.6899 -15.4064 -14.6899 13.0113 GPRESSAVG: 680600 22.0212 2.64027 -11.7124 1.056 7.31824 -12.8631 -15.7701 -16.0505 12.6815 TIMING: 680600 CPU: 2211.02, 0.00319756/step Wall: 2211.02, 0.00319756/step, 3.83654 hours remaining, 232.695312 MB of memory in use. ENERGY: 680600 4012.3489 20543.0642 14527.9871 248.8796 -203906.1600 2789.4992 0.0000 0.0000 52174.1215 -109610.2596 299.8454 -161784.3811 -109252.6763 299.6577 297.7258 321.0472 758276.9196 13.9325 14.0070 PRESSURE: 680800 -70.0375 61.9638 53.3655 61.9642 227.084 94.4111 53.3654 94.4106 -130.098 GPRESSURE: 680800 -32.0895 142.717 115.216 86.9805 311.284 104.628 82.8472 61.7037 -187.77 PRESSAVG: 680800 -23.1099 -25.4908 55.0699 -25.4908 -14.1557 -34.4671 55.0699 -34.4671 -11.9815 GPRESSAVG: 680800 -23.1337 -24.1278 52.5738 -26.2857 -13.8047 -34.3649 56.5032 -34.8833 -12.4066 TIMING: 680800 CPU: 2211.66, 0.00319828/step Wall: 2211.66, 0.00319828/step, 3.83722 hours remaining, 232.695312 MB of memory in use. ENERGY: 680800 3937.8060 20355.8191 14535.0997 233.6749 -203503.1938 2309.4756 0.0000 0.0000 52580.5502 -109550.7683 302.1811 -162131.3185 -109181.6487 299.7129 8.9826 30.4747 758190.9370 -16.4157 -16.4483 PRESSURE: 681000 242.35 -157.935 109.55 -157.935 -483.864 206.866 109.55 206.866 -290.082 GPRESSURE: 681000 265.734 -207.04 155.34 -119.516 -451.717 244.145 121.033 26.355 -241.295 PRESSAVG: 681000 16.7817 -11.5986 16.7658 -11.5985 -15.2467 17.4208 16.7658 17.4207 6.42009 GPRESSAVG: 681000 17.4535 -8.5517 16.1373 -12.0087 -16.1526 16.5305 15.7294 16.7175 6.84362 TIMING: 681000 CPU: 2212.29, 0.00318533/step Wall: 2212.29, 0.00318533/step, 3.82151 hours remaining, 232.695312 MB of memory in use. ENERGY: 681000 3921.1846 20604.8669 14430.3515 244.1349 -203108.3780 2311.1603 0.0000 0.0000 52154.4915 -109442.1883 299.7326 -161596.6798 -109082.2781 299.1896 -177.1987 -142.4260 761621.4061 2.6517 2.7148 PRESSURE: 681200 14.831 -109.181 263.329 -109.181 -47.2148 -208.661 263.329 -208.66 -283.435 GPRESSURE: 681200 -3.77691 -238.58 306.953 -170.85 28.469 -91.4916 247.011 -98.1521 -250.189 PRESSAVG: 681200 18.2215 -9.35476 -1.20198 -9.35474 -34.4655 23.4535 -1.20199 23.4534 13.0988 GPRESSAVG: 681200 17.1871 -12.0921 -0.493423 -7.74741 -34.1194 23.4823 -1.69667 26.2407 13.4091 TIMING: 681200 CPU: 2212.93, 0.00317847/step Wall: 2212.93, 0.00317847/step, 3.81311 hours remaining, 232.695312 MB of memory in use. ENERGY: 681200 3986.8540 20543.6995 14557.9381 250.7164 -203013.9938 2240.6677 0.0000 0.0000 52028.1383 -109405.9797 299.0064 -161434.1181 -109044.0585 299.5930 -105.2728 -75.1655 761590.1146 -1.0484 -1.1744 PRESSURE: 681400 -99.0087 99.3111 0.400167 99.3109 69.8433 308.878 0.400734 308.878 147.881 GPRESSURE: 681400 -91.5307 247.046 27.2514 153.62 174.617 309.021 -44.7067 186.273 115.669 PRESSAVG: 681400 55.2091 -26.8845 45.3673 -26.8846 -36.4667 39.6174 45.3672 39.6174 -9.71979 GPRESSAVG: 681400 55.6625 -27.0004 44.9474 -28.4036 -36.5973 40.5106 46.7203 39.827 -10.7224 TIMING: 681400 CPU: 2213.56, 0.00317403/step Wall: 2213.56, 0.00317403/step, 3.8076 hours remaining, 232.695312 MB of memory in use. ENERGY: 681400 3856.8383 20652.8022 14537.6872 257.7978 -203257.7569 2480.9734 0.0000 0.0000 51991.1595 -109480.4984 298.7939 -161471.6578 -109113.6184 299.0836 39.5717 66.2517 761198.6433 3.0075 2.7809 PRESSURE: 681600 -298.776 -42.7162 177.532 -42.7163 -83.9774 -147.595 177.532 -147.595 -56.5436 GPRESSURE: 681600 -159.46 40.3502 62.2981 -29.3371 -98.9728 -104.229 193.645 -79.8112 -78.3592 PRESSAVG: 681600 2.65422 -25.2979 66.9295 -25.2979 0.0432115 28.6723 66.9296 28.6724 9.58119 GPRESSAVG: 681600 2.68813 -23.8493 66.4152 -24.7738 0.278227 28.1664 65.6934 28.6306 9.87078 TIMING: 681600 CPU: 2214.2, 0.00320091/step Wall: 2214.2, 0.00320091/step, 3.83967 hours remaining, 232.695312 MB of memory in use. ENERGY: 681600 4002.0821 20611.7774 14498.1369 241.2577 -203244.5622 2466.4731 0.0000 0.0000 51841.8252 -109583.0098 297.9357 -161424.8350 -109206.9129 298.9909 -146.4325 -112.2640 761512.2149 4.0929 4.2790 PRESSURE: 681800 388.756 -29.2271 -32.0132 -29.2277 357.326 -44.2777 -32.0128 -44.2776 325.221 GPRESSURE: 681800 539.541 -22.3987 -1.09285 -16.8493 322.93 1.59124 75.751 -136.834 290.746 PRESSAVG: 681800 -16.0738 -9.69274 -44.2723 -9.69278 17.1555 10.3867 -44.2723 10.3867 -12.9989 GPRESSAVG: 681800 -14.4486 -10.2785 -43.9379 -9.70062 16.5858 9.09754 -43.2242 11.3683 -13.8487 TIMING: 681800 CPU: 2214.85, 0.003224/step Wall: 2214.85, 0.003224/step, 3.86718 hours remaining, 232.695312 MB of memory in use. ENERGY: 681800 3904.0221 20537.7596 14494.7564 231.0241 -203317.7137 2467.9288 0.0000 0.0000 51995.3145 -109686.9082 298.8178 -161682.2227 -109320.7690 298.6346 357.1010 384.4057 757577.0103 -3.9724 -3.9038 PRESSURE: 682000 60.0226 1.97311 -51.7313 1.97408 -244.942 285.696 -51.7323 285.697 -471.503 GPRESSURE: 682000 52.5783 7.36552 -92.5511 -3.24892 -179.361 229.726 -131.658 211.749 -444.676 PRESSAVG: 682000 42.9281 -53.1738 -14.8406 -53.1739 28.1547 6.74005 -14.8405 6.74011 6.07515 GPRESSAVG: 682000 42.1006 -52.6272 -15.6133 -54.147 27.7746 8.07928 -16.8121 4.86316 7.08039 TIMING: 682000 CPU: 2215.49, 0.00321328/step Wall: 2215.49, 0.00321328/step, 3.85414 hours remaining, 232.695312 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: 682000 3975.2246 20613.7984 14491.7801 247.1294 -203553.6497 2334.7581 0.0000 0.0000 52117.8021 -109773.1571 299.5217 -161890.9591 -109401.5088 298.6778 -218.8075 -190.4862 759940.5291 25.7193 25.6519 PRESSURE: 682200 -84.6092 -70.0401 116.065 -70.0392 161.701 -57.7712 116.065 -57.7723 174.709 GPRESSURE: 682200 -77.7968 -83.8783 223.096 -19.2059 202.66 -83.163 198.687 66.5193 217.972 PRESSAVG: 682200 -30.1401 -11.674 17.8671 -11.674 7.1918 9.71339 17.867 9.71337 -20.2845 GPRESSAVG: 682200 -30.2124 -12.4708 19.4181 -10.7894 7.72308 7.53073 19.3296 13.4166 -20.926 TIMING: 682200 CPU: 2216.14, 0.00323885/step Wall: 2216.14, 0.00323885/step, 3.88464 hours remaining, 232.695312 MB of memory in use. ENERGY: 682200 3946.4952 20422.0121 14471.3463 249.0226 -203227.5660 2412.0868 0.0000 0.0000 51883.9530 -109842.6502 298.1778 -161726.6032 -109470.6868 298.2507 83.9335 114.2785 759648.6894 -14.4109 -14.4718 PRESSURE: 682400 -127.335 42.0777 2.40851 42.0776 -351.999 -2.5238 2.40953 -2.52384 49.5429 GPRESSURE: 682400 -0.289923 89.1893 74.8077 61.4996 -366.734 133.386 -32.7904 9.26114 42.4679 PRESSAVG: 682400 -32.9712 -31.5837 45.4494 -31.5836 24.0718 -25.984 45.4494 -25.984 16.3563 GPRESSAVG: 682400 -32.2874 -31.3434 44.9693 -32.6081 23.1731 -25.7108 45.8854 -30.5701 17.2372 TIMING: 682400 CPU: 2216.78, 0.00319566/step Wall: 2216.78, 0.00319566/step, 3.83266 hours remaining, 232.695312 MB of memory in use. ENERGY: 682400 4049.9102 20574.0170 14527.1347 250.7715 -203489.7320 2351.5075 0.0000 0.0000 51925.9589 -109810.4322 298.4192 -161736.3910 -109457.5699 298.6590 -143.2637 -108.1853 760663.5749 2.4857 2.7076 PRESSURE: 682600 -63.2183 11.8357 -143.416 11.8353 -280.518 -113.727 -143.417 -113.727 106.694 GPRESSURE: 682600 -60.5427 110.277 -118.642 13.1132 -246.414 -147.59 -62.4929 -85.1678 143.101 PRESSAVG: 682600 62.9138 -68.1116 44.3481 -68.1117 -22.4516 51.1192 44.3481 51.1192 6.95821 GPRESSAVG: 682600 61.1203 -67.3585 42.4985 -67.4842 -21.1474 51.0411 46.9778 53.0365 7.06249 TIMING: 682600 CPU: 2217.41, 0.00315752/step Wall: 2217.41, 0.00315752/step, 3.78674 hours remaining, 232.695312 MB of memory in use. ENERGY: 682600 3977.3453 20595.6013 14446.8305 258.3938 -203454.0721 2385.8050 0.0000 0.0000 51902.1150 -109887.9812 298.2822 -161790.0962 -109526.5446 298.7716 -79.0139 -54.6186 760254.0694 15.8068 15.6785 PRESSURE: 682800 8.04808 -115.074 98.7272 -115.074 81.0762 128.797 98.7262 128.797 122.954 GPRESSURE: 682800 162.447 -59.3833 104.248 -80.3029 80.2963 168.67 126.453 12.85 54.9398 PRESSAVG: 682800 22.3965 -37.3814 2.45732 -37.3814 11.7644 63.7234 2.4573 63.7234 14.8417 GPRESSAVG: 682800 23.1286 -38.6165 4.23431 -35.698 11.2302 62.7851 -0.791105 62.8403 14.4267 TIMING: 682800 CPU: 2218.04, 0.00316302/step Wall: 2218.04, 0.00316302/step, 3.79317 hours remaining, 232.695312 MB of memory in use. ENERGY: 682800 3961.1586 20466.1095 14464.4546 233.2045 -203741.8608 2554.0636 0.0000 0.0000 52084.9453 -109977.9247 299.3329 -162062.8700 -109611.7088 298.8560 70.6926 99.2278 758907.6385 16.3342 16.2619 PRESSURE: 683000 -377.39 209.07 217.356 209.069 -551.657 91.8866 217.356 91.8866 -415.941 GPRESSURE: 683000 -347.682 90.4379 205.074 222.465 -516.124 55.9257 231.126 64.7324 -411.33 PRESSAVG: 683000 -33.6971 -9.5635 60.7615 -9.56356 22.8877 41.6481 60.7615 41.6483 9.05386 GPRESSAVG: 683000 -34.0884 -10.3138 60.8569 -11.2278 22.0669 42.561 61.9495 43.1364 10.2306 TIMING: 683000 CPU: 2218.69, 0.00321434/step Wall: 2218.69, 0.00321434/step, 3.85453 hours remaining, 232.695312 MB of memory in use. ENERGY: 683000 4012.6563 20612.9373 14452.9310 237.6221 -203272.4202 2267.4877 0.0000 0.0000 51793.4320 -109895.3537 297.6576 -161688.7858 -109537.2231 298.0174 -448.3293 -425.0455 759973.7613 -0.5852 -0.5969 PRESSURE: 683200 253.05 161.878 -296.74 161.878 -51.1644 175.403 -296.737 175.405 -29.9333 GPRESSURE: 683200 236.779 95.4731 -191.037 87.4238 52.1052 97.2937 -272.406 129.839 -37.8933 PRESSAVG: 683200 -23.7414 43.2761 -0.649068 43.2761 9.55654 13.6828 -0.648994 13.6829 16.0625 GPRESSAVG: 683200 -23.5616 44.8116 -0.540297 41.702 9.99665 14.7557 -1.49004 12.9283 15.4246 TIMING: 683200 CPU: 2219.32, 0.00319502/step Wall: 2219.32, 0.00319502/step, 3.83119 hours remaining, 232.695312 MB of memory in use. ENERGY: 683200 4081.4115 20628.2225 14471.6459 252.1316 -203722.8396 2664.1262 0.0000 0.0000 51794.1764 -109831.1255 297.6618 -161625.3019 -109474.1678 298.4352 57.3176 83.6637 759455.5185 0.6259 0.6199 PRESSURE: 683400 -144.221 44.9755 149.661 44.9759 83.2528 -85.258 149.66 -85.2577 90.232 GPRESSURE: 683400 -105.367 47.0299 113.848 12.6708 73.5634 -156.012 97.7972 -17.8461 151.6 PRESSAVG: 683400 -27.232 21.0451 47.5068 21.0451 3.07003 44.9165 47.5069 44.9165 -7.9356 GPRESSAVG: 683400 -28.1408 21.2086 47.0406 22.6444 3.05406 43.9438 46.6699 44.0232 -7.40574 TIMING: 683400 CPU: 2219.96, 0.00319137/step Wall: 2219.96, 0.00319137/step, 3.82663 hours remaining, 232.695312 MB of memory in use. ENERGY: 683400 4024.3144 20486.1116 14460.3128 246.7927 -203353.5569 2313.2713 0.0000 0.0000 52045.5529 -109777.2013 299.1065 -161822.7542 -109416.8499 299.2576 9.7547 39.9322 759467.6043 -10.6992 -10.8308 PRESSURE: 683600 200.1 -48.2071 73.8558 -48.2062 347.485 -106.263 73.8558 -106.264 307.455 GPRESSURE: 683600 327.567 35.411 39.4408 -51.1099 340.375 -92.3431 195.159 -181.432 279.838 PRESSAVG: 683600 -25.2505 -7.9475 28.8654 -7.94746 -9.48246 1.53335 28.8654 1.53334 -13.6737 GPRESSAVG: 683600 -24.9598 -7.16567 28.695 -8.51901 -9.68881 1.78725 28.9872 0.496645 -13.8966 TIMING: 683600 CPU: 2220.6, 0.00317943/step Wall: 2220.6, 0.00317943/step, 3.81213 hours remaining, 232.695312 MB of memory in use. ENERGY: 683600 3966.5728 20331.2373 14487.4423 237.4296 -203927.0513 2917.3090 0.0000 0.0000 52223.9440 -109763.1163 300.1317 -161987.0603 -109399.3091 299.1103 285.0131 315.9267 759917.7464 -16.1356 -16.1817 PRESSURE: 683800 26.3508 42.3652 94.0485 42.3653 -187.992 -109.96 94.0492 -109.961 -311.375 GPRESSURE: 683800 -100.663 8.96588 148.732 37.9743 -91.5113 -163.671 -94.0029 76.8166 -224.234 PRESSAVG: 683800 10.4922 -52.6623 11.788 -52.6624 -7.05947 55.9997 11.788 55.9997 15.3645 GPRESSAVG: 683800 10.1767 -53.3205 14.3306 -54.1671 -5.99607 57.3349 11.8112 57.8393 14.7733 TIMING: 683800 CPU: 2221.23, 0.00315278/step Wall: 2221.23, 0.00315278/step, 3.78 hours remaining, 232.695312 MB of memory in use. ENERGY: 683800 3968.3856 20575.8746 14475.5863 253.5000 -203358.7433 2374.5584 0.0000 0.0000 51871.6568 -109839.1815 298.1071 -161710.8384 -109475.8287 298.9361 -157.6721 -138.8025 760127.7214 6.2657 6.3180 PRESSURE: 684000 156.513 -150.095 -12.9927 -150.094 -257.679 118.187 -12.9928 118.186 229.646 GPRESSURE: 684000 112.907 -128.914 22.1225 -26.931 -129.043 121.351 -97.9675 131.552 208.359 PRESSAVG: 684000 -12.3335 -62.4602 33.3453 -62.4602 -3.91421 74.3516 33.3453 74.3516 -1.44723 GPRESSAVG: 684000 -12.5667 -62.8852 30.6756 -60.6495 -4.57311 72.9389 35.9662 76.0287 -0.648862 TIMING: 684000 CPU: 2221.86, 0.00315082/step Wall: 2221.86, 0.00315082/step, 3.77748 hours remaining, 232.695312 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: 684000 3959.7577 20566.1016 14438.4794 242.1538 -203703.4723 2627.2019 0.0000 0.0000 52116.7348 -109753.0432 299.5156 -161869.7780 -109394.7985 298.9738 42.8266 64.0743 758800.1653 -5.8983 -5.9295 PRESSURE: 684200 150.716 56.892 340.108 56.8926 -271.17 -12.3155 340.108 -12.3158 -22.2456 GPRESSURE: 684200 162.233 79.3768 327.736 115.254 -194.793 69.9906 236.946 -121.537 -45.5152 PRESSAVG: 684200 -40.0227 -22.8445 54.3873 -22.8445 -48.9789 3.92475 54.3874 3.92476 -8.67464 GPRESSAVG: 684200 -39.8813 -24.4882 54.3927 -22.4948 -48.5497 5.0712 51.9467 1.8624 -9.09729 TIMING: 684200 CPU: 2222.5, 0.00318712/step Wall: 2222.5, 0.00318712/step, 3.82082 hours remaining, 232.695312 MB of memory in use. ENERGY: 684200 3926.3516 20601.9749 14491.9973 239.5813 -203253.0524 2368.4901 0.0000 0.0000 51954.0162 -109670.6410 298.5804 -161624.6572 -109319.9659 298.9327 -47.5665 -26.0252 760549.7743 -32.5587 -32.5094 LDB: ============= START OF LOAD BALANCING ============== 2234.92 LDB: ============== END OF LOAD BALANCING =============== 2234.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2234.92 LDB: ============= START OF LOAD BALANCING ============== 2235.24 LDB: Largest compute 7034 load 0.036550 is 18.7% of average load 0.195147 LDB: Average compute 0.004381 is 2.2% of average load 0.195147 LDB: TIME 2235.24 LOAD: AVG 0.195147 MAX 0.215989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.152 MB LDB: TIME 2235.24 LOAD: AVG 0.195147 MAX 0.215989 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 2235.24 LOAD: AVG 0.195147 MAX 0.215989 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 2235.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2235.25 PRESSURE: 684400 -336.196 -138.967 151.794 -138.967 61.9386 -56.2239 151.794 -56.2246 -292.228 GPRESSURE: 684400 -305.2 -120.229 157.661 -78.8701 38.5229 -37.6241 64.948 -124.028 -226.532 PRESSAVG: 684400 -4.48707 -16.0353 16.6828 -16.0352 -24.277 19.7999 16.6829 19.7999 -14.8632 GPRESSAVG: 684400 -3.97025 -15.7406 16.9384 -16.8875 -24.7009 19.9186 16.2528 19.2718 -15.1412 TIMING: 684400 CPU: 2223.14, 0.00323808/step Wall: 2223.14, 0.00323808/step, 3.88174 hours remaining, 231.453125 MB of memory in use. ENERGY: 684400 4118.1062 20490.0360 14530.8913 236.1912 -203168.4556 2286.8058 0.0000 0.0000 51986.5590 -109519.8660 298.7675 -161506.4251 -109161.7677 299.4134 -188.8286 -164.4029 759265.7031 -14.5424 -14.6041 PRESSURE: 684600 -262.408 144.681 113.919 144.68 -353.469 116.24 113.92 116.241 -238.939 GPRESSURE: 684600 -202.077 106.495 179.874 -3.6413 -328.548 142.882 191.89 34.5449 -238.497 PRESSAVG: 684600 29.6116 -6.1672 48.2805 -6.16719 -53.0373 17.8526 48.2805 17.8526 -22.1076 GPRESSAVG: 684600 29.1572 -4.35134 48.4713 -7.40899 -53.1612 16.5435 50.502 17.8634 -21.63 TIMING: 684600 CPU: 2223.78, 0.00319849/step Wall: 2223.78, 0.00319849/step, 3.8341 hours remaining, 231.453125 MB of memory in use. ENERGY: 684600 4014.3994 20385.6213 14545.3563 249.8258 -203679.3153 2634.9845 0.0000 0.0000 52251.0628 -109598.0652 300.2876 -161849.1280 -109231.0456 299.8122 -284.9389 -256.3743 758884.9000 -15.1778 -15.2113 PRESSURE: 684800 98.9674 9.47712 1.76454 9.47749 -317.592 45.2485 1.76441 45.249 -79.0489 GPRESSURE: 684800 68.102 -42.4091 68.308 -12.6346 -208.585 -38.346 -24.3155 98.401 -65.5666 PRESSAVG: 684800 34.4361 13.9519 74.8481 13.9518 -16.4285 -41.1884 74.848 -41.1885 25.2837 GPRESSAVG: 684800 34.2143 12.6311 75.3561 13.1939 -14.6045 -40.1462 74.2572 -41.801 23.4518 TIMING: 684800 CPU: 2224.42, 0.00318416/step Wall: 2224.42, 0.00318416/step, 3.81674 hours remaining, 231.453125 MB of memory in use. ENERGY: 684800 4004.2409 20473.5888 14481.6162 246.6251 -203442.8872 2528.0599 0.0000 0.0000 52212.4763 -109496.2800 300.0658 -161708.7563 -109137.7498 299.4441 -99.2244 -68.6832 758953.4346 14.4304 14.3539 PRESSURE: 685000 -156.562 -142.329 33.0864 -142.331 -249.109 -52.468 33.0861 -52.4689 -276.13 GPRESSURE: 685000 -195.866 -46.2335 10.2902 21.1696 -151.16 -90.3677 97.1307 30.3779 -273.739 PRESSAVG: 685000 52.4804 -40.9144 29.3981 -40.9144 -33.061 -37.6255 29.3981 -37.6255 28.7987 GPRESSAVG: 685000 52.4825 -40.9574 29.4772 -38.4159 -34.6362 -37.9736 27.0822 -36.4132 30.0604 TIMING: 685000 CPU: 2225.05, 0.00316934/step Wall: 2225.05, 0.00316934/step, 3.79881 hours remaining, 231.453125 MB of memory in use. ENERGY: 685000 4021.8869 20515.9507 14446.4737 243.1817 -202906.7143 2111.4472 0.0000 0.0000 52057.1744 -109510.5997 299.1733 -161567.7741 -109153.8709 299.4756 -227.2671 -206.9218 760207.9122 16.0727 15.9689 PRESSURE: 685200 -183.501 -26.9863 91.5951 -26.9867 -14.126 71.7309 91.5947 71.7305 -498.942 GPRESSURE: 685200 -91.0757 50.2028 22.1103 47.3521 -85.7236 65.6384 218.433 -45.6944 -444.162 PRESSAVG: 685200 -1.60428 -71.1403 48.1088 -71.1403 17.1672 -28.2977 48.1087 -28.2977 -17.4221 GPRESSAVG: 685200 -1.50648 -71.4664 47.5095 -71.4757 17.2488 -28.0765 50.4159 -27.938 -17.5156 TIMING: 685200 CPU: 2225.7, 0.00320665/step Wall: 2225.7, 0.00320665/step, 3.84335 hours remaining, 231.453125 MB of memory in use. ENERGY: 685200 4015.0095 20622.1263 14375.6725 247.9091 -203041.2362 2101.1153 0.0000 0.0000 52167.3166 -109512.0869 299.8063 -161679.4035 -109147.6461 299.2106 -232.1897 -206.9872 759947.7191 -0.6197 -0.5911 PRESSURE: 685400 -26.3038 198.373 -119.011 198.372 -315.858 95.8508 -119.012 95.8499 -306.766 GPRESSURE: 685400 81.9537 285.149 -124.763 172.863 -291.25 142.082 -60.8624 86.0677 -353.15 PRESSAVG: 685400 10.6647 -14.1012 15.0465 -14.1013 -3.19419 -0.497266 15.0464 -0.497228 1.49093 GPRESSAVG: 685400 9.68683 -12.7349 14.0094 -15.602 -1.82297 -1.13086 15.1067 -2.29671 1.88654 TIMING: 685400 CPU: 2226.34, 0.00320501/step Wall: 2226.34, 0.00320501/step, 3.8412 hours remaining, 231.453125 MB of memory in use. ENERGY: 685400 4028.7572 20678.4607 14479.0402 255.8293 -203052.5603 2009.1095 0.0000 0.0000 52136.2345 -109465.1288 299.6277 -161601.3634 -109103.3473 299.6568 -216.3093 -187.4822 760266.5266 2.9871 3.2501 PRESSURE: 685600 -29.998 -250.764 213.947 -250.763 -142.11 -16.9888 213.946 -16.9894 124.005 GPRESSURE: 685600 5.78898 -287.666 211.257 -181.716 -80.4459 -58.8501 208.401 -2.92836 103.22 PRESSAVG: 685600 37.6561 -14.4016 30.2368 -14.4016 -48.5316 29.2979 30.2369 29.2979 -6.68691 GPRESSAVG: 685600 38.2931 -14.0962 33.6755 -15.4134 -49.0395 28.9879 28.7478 31.6343 -6.69398 TIMING: 685600 CPU: 2226.99, 0.00325083/step Wall: 2226.99, 0.00325083/step, 3.89594 hours remaining, 231.453125 MB of memory in use. ENERGY: 685600 4007.5538 20585.8635 14457.9393 245.6387 -203123.7484 2342.6086 0.0000 0.0000 51918.6535 -109565.4909 298.3772 -161484.1444 -109204.5958 299.5430 -16.0342 9.5209 760601.4891 -5.8541 -5.8135 PRESSURE: 685800 -270.004 -37.17 -47.6662 -37.17 -137.209 80.2238 -47.6665 80.2227 -9.80189 GPRESSURE: 685800 -209.701 -27.0887 5.89034 -12.4799 -118.367 16.1924 -32.1089 -39.7635 -12.6858 PRESSAVG: 685800 54.852 12.05 61.7137 12.05 -52.5957 46.6539 61.7137 46.6539 -10.7672 GPRESSAVG: 685800 54.7344 8.69796 59.9264 15.9222 -52.4447 47.4811 63.5351 46.557 -11.4563 TIMING: 685800 CPU: 2227.63, 0.0031921/step Wall: 2227.63, 0.0031921/step, 3.82537 hours remaining, 231.453125 MB of memory in use. ENERGY: 685800 4042.9795 20567.3383 14536.2846 223.5425 -203346.0725 2323.2941 0.0000 0.0000 51955.5390 -109697.0945 298.5892 -161652.6335 -109338.1936 299.5585 -139.0049 -113.5848 760586.7429 -2.8370 -3.0555 PRESSURE: 686000 143.154 -80.5951 -44.5942 -80.5952 -27.8668 -295.703 -44.5949 -295.703 -129.639 GPRESSURE: 686000 120.571 -100.296 32.742 -63.984 9.94313 -290.756 142.519 -190.165 -53.4026 PRESSAVG: 686000 21.5423 -28.4662 94.1288 -28.4662 -21.0716 45.9978 94.1289 45.9978 -12.6666 GPRESSAVG: 686000 21.7426 -28.8382 94.017 -29.4772 -22.1704 44.2137 94.5978 45.1502 -11.4027 TIMING: 686000 CPU: 2228.26, 0.00318783/step Wall: 2228.26, 0.00318783/step, 3.82009 hours remaining, 231.453125 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: 686000 3940.3598 20461.8089 14492.4270 247.5044 -203459.2815 2577.4510 0.0000 0.0000 52044.3029 -109695.4275 299.0993 -161739.7304 -109324.7519 298.8260 -4.7840 25.7039 760224.3607 -4.0653 -3.9435 PRESSURE: 686200 -358.543 -45.4337 -231.852 -45.4338 -309.505 -103.411 -231.852 -103.41 -142.559 GPRESSURE: 686200 -286.554 -193.227 -149.331 7.95918 -316.127 -149.194 -267.078 55.7732 -109.025 PRESSAVG: 686200 56.4128 2.28975 -11.9426 2.2897 -14.6478 5.65533 -11.9426 5.65535 12.8984 GPRESSAVG: 686200 56.2465 5.49887 -12.4254 0.646294 -13.4852 7.24441 -13.1292 7.75615 12.2563 TIMING: 686200 CPU: 2228.9, 0.00318995/step Wall: 2228.9, 0.00318995/step, 3.82244 hours remaining, 231.453125 MB of memory in use. ENERGY: 686200 4027.3120 20552.5387 14495.6431 237.3608 -203202.2291 2295.8300 0.0000 0.0000 51773.8682 -109819.6764 297.5451 -161593.5446 -109457.6618 298.8639 -270.2020 -237.2352 761368.4953 18.2211 18.3392 PRESSURE: 686400 159.672 -10.0972 98.9418 -10.0965 -64.315 34.4892 98.9416 34.4891 -188.456 GPRESSURE: 686400 217.982 0.201373 23.053 -48.8408 -17.5229 18.3597 131.331 -119.881 -207.283 PRESSAVG: 686400 -4.84034 -46.861 -34.6208 -46.861 -16.6289 22.9288 -34.6208 22.9287 24.0026 GPRESSAVG: 686400 -3.02837 -47.6815 -33.3555 -48.292 -17.6957 23.5108 -33.9864 20.2939 23.6255 TIMING: 686400 CPU: 2229.54, 0.00320467/step Wall: 2229.54, 0.00320467/step, 3.8399 hours remaining, 231.453125 MB of memory in use. ENERGY: 686400 3979.6716 20354.7574 14474.6950 250.2425 -202961.7452 2335.9585 0.0000 0.0000 51816.7742 -109749.6460 297.7917 -161566.4201 -109385.5551 298.3383 -31.0329 -2.2745 761709.8499 0.8445 0.9671 PRESSURE: 686600 202.943 -132.111 -111.826 -132.111 -90.8105 155.726 -111.826 155.726 -378.936 GPRESSURE: 686600 217.414 -112.445 -76.9936 -65.1442 -51.7311 149.717 -76.4794 122.201 -352.76 PRESSAVG: 686600 27.7698 -10.0103 1.03353 -10.0103 -7.83337 35.1085 1.03355 35.1084 21.6549 GPRESSAVG: 686600 27.2147 -12.2185 0.410788 -6.23926 -6.75186 34.6535 -0.262616 34.6754 21.631 TIMING: 686600 CPU: 2230.18, 0.00319974/step Wall: 2230.18, 0.00319974/step, 3.83383 hours remaining, 231.453125 MB of memory in use. ENERGY: 686600 4055.5606 20632.8130 14460.6658 232.9378 -203497.9154 2372.3858 0.0000 0.0000 52147.0202 -109596.5320 299.6896 -161743.5522 -109237.4759 298.6217 -88.9345 -62.3590 759956.2165 13.8638 14.0313 PRESSURE: 686800 -467.689 -9.30542 -0.147297 -9.30524 -86.3591 103.217 -0.146962 103.217 -268.736 GPRESSURE: 686800 -422.012 -54.8672 7.80836 2.42557 -151.122 -23.0539 150.245 101.139 -163.785 PRESSAVG: 686800 -49.2002 -40.7941 -24.4333 -40.7941 -4.88364 11.3119 -24.4332 11.3119 -5.20895 GPRESSAVG: 686800 -49.3232 -39.4259 -24.1816 -41.8394 -4.95454 10.5581 -24.9612 13.4741 -5.36129 TIMING: 686800 CPU: 2230.83, 0.00321822/step Wall: 2230.83, 0.00321822/step, 3.85578 hours remaining, 231.453125 MB of memory in use. ENERGY: 686800 4043.7818 20488.9638 14396.2634 240.9842 -203127.0860 2176.4275 0.0000 0.0000 52115.8027 -109664.8626 299.5102 -161780.6652 -109296.5915 299.1066 -274.2615 -245.6397 761651.2348 -19.7643 -19.8797 PRESSURE: 687000 -281.577 28.8158 47.4794 28.8152 -171.624 3.17162 47.4794 3.17116 22.9128 GPRESSURE: 687000 -79.1972 120.777 88.5314 -116.937 -212.752 69.665 -21.7158 -106.831 -42.6269 PRESSAVG: 687000 -16.1481 9.3554 15.1493 9.35546 43.7171 23.4372 15.1493 23.4373 -8.30682 GPRESSAVG: 687000 -16.4393 11.6646 14.2802 8.3695 44.9 23.6072 17.0016 23.4461 -8.83316 TIMING: 687000 CPU: 2231.47, 0.0031975/step Wall: 2231.47, 0.0031975/step, 3.83078 hours remaining, 231.453125 MB of memory in use. ENERGY: 687000 3970.2468 20569.5053 14449.9762 236.0990 -203179.0513 2545.9846 0.0000 0.0000 51939.0757 -109468.1639 298.4946 -161407.2396 -109108.8076 298.9458 -143.4294 -111.5255 762584.0508 6.4207 6.5425 PRESSURE: 687200 -65.7775 -60.1027 231.263 -60.1024 70.3405 -11.7922 231.264 -11.7921 -202.207 GPRESSURE: 687200 -60.6947 -100.537 245.582 -41.8275 129.078 48.5808 22.4347 92.4974 -173.433 PRESSAVG: 687200 39.769 27.0051 -0.109871 27.005 -10.8388 -3.84035 -0.109891 -3.8404 20.3069 GPRESSAVG: 687200 39.8967 24.8158 0.322195 26.3072 -11.802 -2.1668 0.141858 -4.12852 20.9248 TIMING: 687200 CPU: 2232.1, 0.00315371/step Wall: 2232.1, 0.00315371/step, 3.77814 hours remaining, 231.453125 MB of memory in use. ENERGY: 687200 3987.1429 20584.3703 14439.1209 243.1772 -203375.2641 2358.7327 0.0000 0.0000 52200.6164 -109562.1036 299.9977 -161762.7201 -109192.8715 299.0091 -65.8813 -35.0165 761911.9817 16.4124 16.3398 PRESSURE: 687400 -58.1721 16.8774 -7.9266 16.8774 154.744 -98.2825 -7.92652 -98.2827 15.6083 GPRESSURE: 687400 -48.5341 48.0356 10.9559 26.002 221.226 -91.3753 15.2743 -67.9573 40.5327 PRESSAVG: 687400 41.9121 -17.859 49.3289 -17.859 -16.6038 17.4591 49.3289 17.4592 7.9373 GPRESSAVG: 687400 41.9879 -17.3082 50.851 -17.6374 -16.0638 15.0703 47.2517 19.8993 7.82257 TIMING: 687400 CPU: 2232.73, 0.00317186/step Wall: 2232.73, 0.00317186/step, 3.79972 hours remaining, 231.453125 MB of memory in use. ENERGY: 687400 4030.8093 20438.9556 14458.9139 226.8305 -203605.2286 2636.1204 0.0000 0.0000 52202.4425 -109611.1564 300.0082 -161813.5990 -109251.1980 299.4427 37.3933 71.0749 759933.3730 11.0819 11.2489 PRESSURE: 687600 -451.743 85.4978 -77.6089 85.4978 15.5476 42.076 -77.6091 42.0758 264.473 GPRESSURE: 687600 -345.196 -18.4336 -8.59584 14.979 -2.57729 -13.0059 -196.614 127.959 240.107 PRESSAVG: 687600 -13.4534 -10.004 12.2265 -10.004 35.6311 25.6985 12.2266 25.6985 6.1031 GPRESSAVG: 687600 -12.6466 -8.65798 11.9585 -9.39969 33.1019 26.31 13.9465 22.297 7.91296 TIMING: 687600 CPU: 2233.37, 0.00318391/step Wall: 2233.37, 0.00318391/step, 3.81397 hours remaining, 231.453125 MB of memory in use. ENERGY: 687600 3982.1582 20566.0885 14481.7760 238.7701 -203283.7370 2251.3348 0.0000 0.0000 52094.2329 -109669.3767 299.3863 -161763.6095 -109309.5847 299.8107 -57.2408 -35.8889 759748.6611 9.4269 9.4561 PRESSURE: 687800 -121.581 -107.246 24.1762 -107.246 -73.34 -136.799 24.1759 -136.8 188.678 GPRESSURE: 687800 -87.3855 -33.2267 60.5936 -159.12 -7.55734 -61.3735 -57.6485 -196.465 187.648 PRESSAVG: 687800 7.42576 -17.9528 26.4182 -17.9527 6.07211 90.1258 26.4182 90.1258 9.59572 GPRESSAVG: 687800 7.73323 -18.7819 25.9469 -18.3559 7.90605 90.5519 25.483 90.9932 7.4311 TIMING: 687800 CPU: 2234.01, 0.0032035/step Wall: 2234.01, 0.0032035/step, 3.83726 hours remaining, 231.453125 MB of memory in use. ENERGY: 687800 3963.9270 20509.4597 14502.4405 229.5392 -203445.8504 2399.4559 0.0000 0.0000 51981.9990 -109859.0291 298.7413 -161841.0282 -109488.4590 299.2694 -2.0808 30.9016 759161.8372 7.6979 7.6901 PRESSURE: 688000 -134.639 -135.206 209.3 -135.207 16.1133 50.0589 209.301 50.0593 -13.5628 GPRESSURE: 688000 -110.479 -214.023 239.699 -173.487 76.35 -9.8601 167.247 88.7416 4.28011 PRESSAVG: 688000 -41.7603 -16.0708 -35.5249 -16.0707 36.8237 32.6696 -35.5249 32.6696 -5.10478 GPRESSAVG: 688000 -43.3865 -16.8161 -35.7147 -14.4009 36.8183 32.096 -33.736 33.2385 -3.76031 TIMING: 688000 CPU: 2234.65, 0.00320635/step Wall: 2234.65, 0.00320635/step, 3.84049 hours remaining, 231.453125 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: 688000 4041.4117 20389.0649 14462.7402 250.1809 -203503.6629 2477.1898 0.0000 0.0000 52187.1038 -109695.9717 299.9200 -161883.0755 -109334.1092 299.5226 -44.0294 -9.9495 759629.5921 -3.3471 -3.4428 PRESSURE: 688200 -185.268 -59.0757 70.5665 -59.0766 -281.047 -112.664 70.566 -112.665 -291.392 GPRESSURE: 688200 -177.679 20.6787 -6.99701 -149.667 -293.544 -137.471 173.082 4.81144 -203.708 PRESSAVG: 688200 -26.3465 -33.7293 40.1416 -33.7293 6.07957 7.33042 40.1416 7.33029 -8.3722 GPRESSAVG: 688200 -25.3891 -31.3136 40.0335 -36.192 5.21381 7.77182 38.6848 6.8165 -8.99688 TIMING: 688200 CPU: 2235.29, 0.00319404/step Wall: 2235.29, 0.00319404/step, 3.82557 hours remaining, 231.453125 MB of memory in use. ENERGY: 688200 4025.8423 20482.1741 14539.0882 255.0494 -203785.4318 2429.5862 0.0000 0.0000 52172.9144 -109880.7773 299.8385 -162053.6916 -109507.4081 298.8764 -252.5692 -224.9768 761019.7657 -9.5464 -9.7241 LDB: ============= START OF LOAD BALANCING ============== 2247.72 LDB: ============== END OF LOAD BALANCING =============== 2247.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2247.72 LDB: ============= START OF LOAD BALANCING ============== 2248.04 LDB: Largest compute 7033 load 0.038820 is 19.9% of average load 0.195075 LDB: Average compute 0.004392 is 2.3% of average load 0.195075 LDB: TIME 2248.04 LOAD: AVG 0.195075 MAX 0.214489 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.941 MB LDB: TIME 2248.04 LOAD: AVG 0.195075 MAX 0.214489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: TIME 2248.05 LOAD: AVG 0.195075 MAX 0.214489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: ============== END OF LOAD BALANCING =============== 2248.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2248.05 PRESSURE: 688400 -192.46 -180.891 243.254 -180.89 92.4052 -156.296 243.254 -156.296 -169.755 GPRESSURE: 688400 -138.714 -99.6393 263.001 -190.824 58.8583 -173.871 269.863 -116.644 -106.167 PRESSAVG: 688400 -1.70371 -63.3416 50.4193 -63.3415 9.02385 -6.06988 50.4192 -6.06998 -12.4554 GPRESSAVG: 688400 -1.97695 -62.1759 52.9982 -61.6389 8.4143 -4.93083 52.0189 -7.18935 -11.4629 TIMING: 688400 CPU: 2235.95, 0.00328777/step Wall: 2235.95, 0.00328777/step, 3.93765 hours remaining, 230.632812 MB of memory in use. ENERGY: 688400 4019.3860 20629.1613 14428.5908 244.3638 -203633.8046 2506.1806 0.0000 0.0000 51800.9947 -110005.1274 297.7010 -161806.1222 -109646.5212 298.5274 -89.9367 -62.0073 760817.4337 -1.7117 -1.6752 PRESSURE: 688600 -65.0522 -47.1146 57.983 -47.1141 -58.6732 -74.7916 57.9835 -74.7916 -45.0919 GPRESSURE: 688600 -73.0653 -48.7673 106.556 -79.7708 9.91012 74.3668 -63.6787 -112.249 -31.2554 PRESSAVG: 688600 -13.0909 -78.0752 2.37902 -78.0752 6.46695 6.39863 2.37904 6.39861 10.9902 GPRESSAVG: 688600 -13.9518 -81.3678 0.948913 -78.6673 8.47291 5.65503 0.619785 7.84776 10.2794 TIMING: 688600 CPU: 2236.59, 0.00324622/step Wall: 2236.59, 0.00324622/step, 3.88771 hours remaining, 231.039062 MB of memory in use. ENERGY: 688600 3966.4831 20685.6519 14456.9278 236.7432 -203868.1510 2652.8448 0.0000 0.0000 51928.6149 -109940.8854 298.4345 -161869.5003 -109589.8071 298.5512 -56.2724 -31.4702 761594.2400 1.4554 1.6002 PRESSURE: 688800 -249.517 -37.3888 -184.003 -37.3891 -147.72 47.6494 -184.004 47.6491 -169.572 GPRESSURE: 688800 -130.725 -61.5733 -232.026 -76.5363 -135.793 8.33037 -181.459 43.0407 -208.907 PRESSAVG: 688800 34.0649 -49.2282 -6.41742 -49.2281 -36.314 -5.84474 -6.41749 -5.84471 13.8345 GPRESSAVG: 688800 35.3525 -49.2448 -6.61325 -47.7988 -37.2533 -5.62335 -4.91535 -5.44568 13.878 TIMING: 688800 CPU: 2237.24, 0.00320843/step Wall: 2237.24, 0.00320843/step, 3.84228 hours remaining, 231.039062 MB of memory in use. ENERGY: 688800 3986.4268 20485.0612 14478.2720 235.2654 -203471.1450 2202.2630 0.0000 0.0000 52033.5603 -110050.2964 299.0376 -162083.8567 -109678.2688 298.2951 -188.9364 -158.4750 761434.2302 3.8618 3.9924 PRESSURE: 689000 -213.781 -280.999 6.63088 -280.999 -199.029 171.039 6.63128 171.039 -48.8738 GPRESSURE: 689000 -239.731 -291.014 121.671 -270.313 -122.371 141.418 95.7068 240.182 -17.6804 PRESSAVG: 689000 0.624533 -53.9423 -35.6077 -53.9423 14.0953 -3.09753 -35.6078 -3.09757 -19.3545 GPRESSAVG: 689000 0.293256 -54.5585 -35.0771 -54.056 13.1021 -3.193 -35.4285 -3.56334 -17.8575 TIMING: 689000 CPU: 2237.88, 0.0031939/step Wall: 2237.88, 0.0031939/step, 3.8247 hours remaining, 231.039062 MB of memory in use. ENERGY: 689000 3964.5959 20459.3177 14518.9276 238.4479 -203660.9095 2337.0379 0.0000 0.0000 52281.9686 -109860.6138 300.4652 -162142.5824 -109495.2025 298.6285 -153.8946 -126.5941 760071.3831 -1.5449 -1.4874 PRESSURE: 689200 193.375 -156.795 98.9076 -156.795 -0.719262 -33.1096 98.9077 -33.1097 -384.802 GPRESSURE: 689200 135.036 -87.7278 183.832 -166.75 120.157 -82.7166 -35.6557 165.591 -355.052 PRESSAVG: 689200 -47.1275 -58.2414 6.54927 -58.2414 23.1136 5.83918 6.5492 5.83913 28.9883 GPRESSAVG: 689200 -47.6265 -56.6025 7.83922 -57.1248 24.6668 6.95801 4.83277 6.05116 28.4177 TIMING: 689200 CPU: 2238.51, 0.00315169/step Wall: 2238.51, 0.00315169/step, 3.77397 hours remaining, 231.015625 MB of memory in use. ENERGY: 689200 3969.2640 20450.4826 14515.8205 258.3277 -203519.0477 2593.9451 0.0000 0.0000 51886.8236 -109844.3843 298.1943 -161731.2079 -109485.7981 298.7168 -64.0489 -33.2865 761138.4821 1.6581 1.8193 PRESSURE: 689400 -27.168 56.6838 81.3769 56.684 -194.039 10.1362 81.3767 10.1358 -149.347 GPRESSURE: 689400 -38.1192 124.334 38.0891 71.6736 -102.867 -12.2435 158.982 54.9784 -141.354 PRESSAVG: 689400 -38.168 -55.9641 23.8272 -55.9641 23.0212 -5.583 23.8272 -5.58301 -1.70532 GPRESSAVG: 689400 -38.0067 -55.7149 22.2015 -58.0505 22.9728 -6.20646 25.631 -6.50964 -1.85174 TIMING: 689400 CPU: 2239.14, 0.00315665/step Wall: 2239.14, 0.00315665/step, 3.77974 hours remaining, 231.015625 MB of memory in use. ENERGY: 689400 3926.9831 20518.1582 14452.0939 241.4604 -203895.1492 2711.0231 0.0000 0.0000 52113.1988 -109932.2315 299.4953 -162045.4304 -109574.7785 299.2081 -123.5181 -94.1133 759969.8379 -5.6173 -5.6286 PRESSURE: 689600 -258.157 111.63 -283.349 111.63 -16.9071 120.834 -283.348 120.834 -57.3715 GPRESSURE: 689600 -156.834 193.666 -255.431 85.933 -30.9586 143.249 -264.941 -17.4534 -64.4102 PRESSAVG: 689600 -29.3337 20.6782 23.1852 20.6782 -28.2785 40.1153 23.1852 40.1154 7.81344 GPRESSAVG: 689600 -29.7099 22.3605 24.6331 19.0246 -28.0062 39.7163 22.858 41.1446 7.97008 TIMING: 689600 CPU: 2239.77, 0.00315622/step Wall: 2239.77, 0.00315622/step, 3.77905 hours remaining, 231.015625 MB of memory in use. ENERGY: 689600 3980.7335 20581.4832 14448.4555 233.8942 -203662.3336 2359.9415 0.0000 0.0000 52292.8545 -109764.9712 300.5278 -162057.8257 -109404.3809 298.6273 -110.8118 -84.0676 759762.7756 -16.5996 -16.5820 PRESSURE: 689800 -0.560358 75.6787 173.295 75.6791 100.882 -18.0504 173.295 -18.0496 -461.136 GPRESSURE: 689800 93.5743 144.603 134.812 -6.95798 28.8421 57.9868 24.9713 -106.839 -372.328 PRESSAVG: 689800 -6.64188 -10.6896 -45.6666 -10.6896 -38.2957 -8.21889 -45.6666 -8.21894 13.732 GPRESSAVG: 689800 -5.75684 -11.9844 -47.166 -8.25031 -39.4688 -9.54469 -45.9327 -6.15376 14.0327 TIMING: 689800 CPU: 2240.4, 0.00315299/step Wall: 2240.4, 0.00315299/step, 3.77501 hours remaining, 231.039062 MB of memory in use. ENERGY: 689800 3990.7932 20550.2816 14551.6201 238.2817 -203662.3862 2611.4998 0.0000 0.0000 51915.2599 -109804.6499 298.3577 -161719.9097 -109447.4234 299.4217 -120.2716 -83.3038 759292.4770 -10.4019 -10.3977 PRESSURE: 690000 -145.401 -234.227 70.4406 -234.227 -356.736 290.592 70.4407 290.593 241.15 GPRESSURE: 690000 -85.8728 -342.319 155.592 -268.512 -293.887 274.264 20.694 249.417 209.536 PRESSAVG: 690000 9.46172 -1.84585 -25.6069 -1.84579 -17.6388 77.3024 -25.6069 77.3024 11.9585 GPRESSAVG: 690000 10.8827 -2.93594 -24.222 -1.09476 -18.0281 79.6643 -25.4983 75.0725 11.3094 TIMING: 690000 CPU: 2241.03, 0.00314657/step Wall: 2241.03, 0.00314657/step, 3.76715 hours remaining, 231.039062 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: 690000 3983.2386 20490.0508 14518.2054 238.8913 -203068.8984 1984.2852 0.0000 0.0000 52138.0587 -109716.1684 299.6381 -161854.2271 -109343.6847 299.2303 -86.9958 -56.7415 759593.7211 1.2604 1.3880 PRESSURE: 690200 86.1415 0.926945 -207.621 0.926475 -103.994 13.1888 -207.621 13.1894 53.7105 GPRESSURE: 690200 91.3928 53.7165 -198.449 -5.97971 23.8712 -91.7933 -153.39 -7.65303 -2.55422 PRESSAVG: 690200 -19.472 -26.5065 -12.7048 -26.5066 -7.12811 -31.8656 -12.7048 -31.8656 1.70396 GPRESSAVG: 690200 -21.446 -26.5353 -12.1662 -28.9557 -5.67454 -33.2085 -12.6771 -33.3635 1.7988 TIMING: 690200 CPU: 2241.67, 0.00320179/step Wall: 2241.67, 0.00320179/step, 3.83308 hours remaining, 231.039062 MB of memory in use. ENERGY: 690200 4070.3688 20621.1977 14574.7967 237.1863 -203684.0313 2346.4276 0.0000 0.0000 52200.0815 -109633.9727 299.9946 -161834.0542 -109267.2226 299.7869 11.9527 37.5699 760285.2994 -8.2987 -8.4406 PRESSURE: 690400 -178.159 10.4894 131.297 10.4898 -285.44 -185.951 131.297 -185.952 -471.498 GPRESSURE: 690400 -118.547 -50.9598 68.2861 -42.0321 -259.506 -13.7806 229.909 -209.223 -476.022 PRESSAVG: 690400 50.6467 -43.5412 -59.5049 -43.5412 -18.0829 -0.761975 -59.5049 -0.762036 12.2807 GPRESSAVG: 690400 50.8934 -40.9519 -61.5795 -43.3925 -17.7667 0.700916 -60.712 -0.373826 12.1004 TIMING: 690400 CPU: 2242.31, 0.00319944/step Wall: 2242.31, 0.00319944/step, 3.83009 hours remaining, 231.039062 MB of memory in use. ENERGY: 690400 3945.4858 20532.5224 14536.5696 240.2722 -203458.2524 2307.5608 0.0000 0.0000 52095.7992 -109800.0424 299.3953 -161895.8416 -109439.0517 299.2658 -311.6990 -284.6915 759311.4116 14.9482 15.0757 PRESSURE: 690600 321.321 115.34 206.236 115.339 -183.067 -16.0134 206.235 -16.014 110.7 GPRESSURE: 690600 311.277 99.3404 214.52 86.768 -21.4917 32.6281 150.602 97.284 42.2438 PRESSAVG: 690600 9.12244 -84.6337 -20.7544 -84.6336 -8.911 -48.9095 -20.7543 -48.9094 3.5545 GPRESSAVG: 690600 9.01361 -87.063 -20.4217 -83.0586 -8.74772 -50.808 -21.2474 -48.6382 3.15675 TIMING: 690600 CPU: 2242.95, 0.00318739/step Wall: 2242.95, 0.00318739/step, 3.81548 hours remaining, 231.039062 MB of memory in use. ENERGY: 690600 3984.3569 20471.4150 14561.4063 256.0698 -203415.1552 2380.1202 0.0000 0.0000 52081.9683 -109679.8186 299.3158 -161761.7869 -109312.4684 299.1890 82.9844 110.6764 760570.8747 1.2553 1.1409 PRESSURE: 690800 -118.199 -53.0886 -8.16806 -53.0884 34.344 -97.559 -8.16938 -97.5595 241.867 GPRESSURE: 690800 -117.572 -69.803 -20.7276 -71.5119 110.691 -59.7181 88.2941 24.6751 254.782 PRESSAVG: 690800 3.60791 -49.8188 -17.6113 -49.8189 25.7736 -40.5434 -17.6112 -40.5434 18.7304 GPRESSAVG: 690800 1.98469 -51.0668 -17.1553 -49.9156 26.8605 -39.5459 -16.9865 -38.866 19.1697 TIMING: 690800 CPU: 2243.59, 0.00321447/step Wall: 2243.59, 0.00321447/step, 3.84773 hours remaining, 231.039062 MB of memory in use. ENERGY: 690800 4016.4240 20415.3256 14458.3754 256.4433 -203549.7872 2444.8884 0.0000 0.0000 52219.6703 -109738.6602 300.1072 -161958.3305 -109369.3361 299.2654 52.6709 82.6336 759522.4089 16.0373 16.0050 PRESSURE: 691000 -230.508 -40.6269 25.8768 -40.6265 -157.109 -25.5979 25.8762 -25.5986 -244.031 GPRESSURE: 691000 -151.872 -7.78931 45.0284 -59.3609 -161.28 -27.5639 28.1571 94.1856 -217.701 PRESSAVG: 691000 0.0838742 -41.5831 21.6793 -41.5832 -43.3486 36.1978 21.6792 36.1978 -3.768 GPRESSAVG: 691000 0.999264 -41.9938 19.0818 -40.0793 -44.8157 34.2407 22.5869 36.9696 -3.20557 TIMING: 691000 CPU: 2244.23, 0.00320245/step Wall: 2244.23, 0.00320245/step, 3.83316 hours remaining, 231.039062 MB of memory in use. ENERGY: 691000 3978.2673 20390.5691 14490.0864 251.8969 -203556.6559 2489.8504 0.0000 0.0000 52072.1989 -109883.7868 299.2596 -161955.9857 -109524.5563 299.1145 -210.5492 -176.9514 759544.5053 -15.6776 -15.6740 PRESSURE: 691200 -185.09 -131.942 194.141 -131.942 185.14 -372.899 194.142 -372.899 -317.846 GPRESSURE: 691200 -193.709 -152.349 117.026 -72.4909 241.537 -322.981 142.136 -370.406 -291.669 PRESSAVG: 691200 10.1577 25.4587 -2.90368 25.4588 4.57261 4.35182 -2.90369 4.35186 -16.3789 GPRESSAVG: 691200 9.58504 25.0362 -1.58202 23.5918 5.42474 5.79307 -2.12673 4.6208 -16.4114 TIMING: 691200 CPU: 2244.87, 0.00320596/step Wall: 2244.87, 0.00320596/step, 3.83718 hours remaining, 231.039062 MB of memory in use. ENERGY: 691200 3942.8968 20435.2185 14498.1381 243.4277 -203239.9057 2357.4407 0.0000 0.0000 51903.5223 -109859.2617 298.2903 -161762.7841 -109501.4082 298.8257 -105.9323 -81.2802 760220.7267 -0.5496 -0.4672 PRESSURE: 691400 29.2513 -166.553 -17.8628 -166.554 -3.69354 257.888 -17.8625 257.888 -134.357 GPRESSURE: 691400 -62.5129 -192.046 -92.4901 -116.823 149.9 317.713 -2.57997 251.079 -103.079 PRESSAVG: 691400 51.111 -33.6848 7.80164 -33.6848 5.61761 1.2241 7.80164 1.22411 14.4014 GPRESSAVG: 691400 52.2237 -31.8724 7.56203 -32.3956 4.00324 1.04326 8.93465 -0.494707 14.8151 TIMING: 691400 CPU: 2245.51, 0.00319741/step Wall: 2245.51, 0.00319741/step, 3.82677 hours remaining, 231.039062 MB of memory in use. ENERGY: 691400 3978.3450 20429.0734 14508.2112 250.0393 -203332.0616 2260.0499 0.0000 0.0000 52181.0165 -109725.3263 299.8850 -161906.3429 -109372.3389 299.0507 -36.2665 -5.2309 759531.6356 23.7100 23.6807 PRESSURE: 691600 -97.3174 -95.9867 74.5313 -95.986 -95.8641 -94.6769 74.5305 -94.6773 121.882 GPRESSURE: 691600 -97.0823 -141.91 36.7003 -70.9074 6.73001 -140.659 -56.3194 -97.8382 108.035 PRESSAVG: 691600 39.7352 -38.0996 -39.5197 -38.0996 -44.6019 14.4466 -39.5197 14.4466 6.74911 GPRESSAVG: 691600 39.16 -39.422 -38.9438 -39.1044 -43.8851 13.8027 -43.6247 14.1075 6.56055 TIMING: 691600 CPU: 2246.15, 0.00320559/step Wall: 2246.15, 0.00320559/step, 3.83637 hours remaining, 231.039062 MB of memory in use. ENERGY: 691600 3908.2394 20439.4605 14517.2806 239.9989 -203613.7689 2677.2222 0.0000 0.0000 52250.4943 -109581.0730 300.2843 -161831.5673 -109209.7849 299.1220 -23.7665 5.8941 761769.1019 0.6275 0.6118 PRESSURE: 691800 -105.296 5.33586 -153.096 5.33672 -242.042 -254.409 -153.096 -254.41 397.737 GPRESSURE: 691800 -51.3088 56.2848 -118.452 -94.4488 -187.554 -100.315 -105.532 -185.004 383.589 PRESSAVG: 691800 24.6662 -93.0607 -7.72548 -93.0607 -50.8598 -18.2275 -7.72543 -18.2276 -10.8479 GPRESSAVG: 691800 26.2139 -90.9719 -9.55234 -93.0953 -50.9889 -17.1732 -5.71329 -18.1817 -11.8324 TIMING: 691800 CPU: 2246.8, 0.00324124/step Wall: 2246.8, 0.00324124/step, 3.87886 hours remaining, 231.039062 MB of memory in use. ENERGY: 691800 3989.8707 20385.0939 14549.9655 228.7223 -203403.7753 2578.6138 0.0000 0.0000 52040.1068 -109631.4024 299.0752 -161671.5092 -109273.6500 299.4830 16.7996 48.2418 760962.9736 -12.3472 -12.2025 PRESSURE: 692000 -110.025 141.628 -20.1352 141.628 -155.804 -53.6358 -20.1348 -53.6365 -204.716 GPRESSURE: 692000 -67.3476 172.857 16.7368 160.656 -86.4884 -25.7775 -171.399 -39.874 -218.168 PRESSAVG: 692000 5.72538 10.4668 51.7113 10.4668 13.0404 -59.232 51.7113 -59.2319 27.5142 GPRESSAVG: 692000 5.62326 8.59787 53.9627 10.1278 12.3275 -61.7352 50.6559 -58.253 28.5755 TIMING: 692000 CPU: 2247.45, 0.00323976/step Wall: 2247.45, 0.00323976/step, 3.87692 hours remaining, 231.039062 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: 692000 3979.3530 20384.5626 14495.6392 251.0135 -203230.5987 2240.9100 0.0000 0.0000 52117.3116 -109761.8088 299.5189 -161879.1204 -109403.6729 299.0624 -156.8484 -124.0013 762365.2023 15.4267 15.5088 PRESSURE: 692200 164.615 -36.6189 -36.1201 -36.6185 -53.3812 -232.102 -36.1211 -232.102 -332.704 GPRESSURE: 692200 157.918 -27.6928 -74.7958 -65.0065 1.70872 -229.454 -43.2996 -280.765 -295.022 PRESSAVG: 692200 55.3666 -9.71585 82.9448 -9.71587 -50.7303 -76.9213 82.9448 -76.9213 -4.29578 GPRESSAVG: 692200 53.3665 -8.4839 82.6307 -10.0906 -49.9491 -74.4215 83.5185 -77.5965 -3.64211 TIMING: 692200 CPU: 2248.1, 0.00325219/step Wall: 2248.1, 0.00325219/step, 3.89161 hours remaining, 231.039062 MB of memory in use. ENERGY: 692200 3971.5442 20415.8832 14456.5978 260.9697 -203754.3290 2486.0897 0.0000 0.0000 52110.5707 -110052.6739 299.4802 -162163.2446 -109694.8285 298.7281 -73.8234 -45.1315 760337.2112 0.1135 -0.0749 LDB: ============= START OF LOAD BALANCING ============== 2260.53 LDB: ============== END OF LOAD BALANCING =============== 2260.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2260.53 LDB: ============= START OF LOAD BALANCING ============== 2260.85 LDB: Largest compute 7033 load 0.034669 is 17.8% of average load 0.195020 LDB: Average compute 0.004379 is 2.2% of average load 0.195020 LDB: TIME 2260.85 LOAD: AVG 0.19502 MAX 0.21295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.867 MB LDB: TIME 2260.85 LOAD: AVG 0.19502 MAX 0.21295 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.965 MB LDB: TIME 2260.85 LOAD: AVG 0.19502 MAX 0.21295 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.965 MB LDB: ============== END OF LOAD BALANCING =============== 2260.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2260.86 PRESSURE: 692400 -76.9371 -197.59 -75.2509 -197.589 92.2678 159.142 -75.2509 159.142 -95.4203 GPRESSURE: 692400 47.1492 -255.672 -28.0134 -103.864 16.5344 196.649 -4.27342 187.276 -62.6647 PRESSAVG: 692400 -7.59006 -4.07255 -39.6961 -4.07249 -0.181005 1.98183 -39.696 1.98186 -12.1184 GPRESSAVG: 692400 -5.51229 -5.11733 -38.3197 -4.16609 -1.40644 1.26967 -40.3852 2.408 -13.603 TIMING: 692400 CPU: 2248.75, 0.00327508/step Wall: 2248.75, 0.00327508/step, 3.91882 hours remaining, 231.292969 MB of memory in use. ENERGY: 692400 3989.1351 20487.1031 14521.7251 242.7559 -203569.4694 2449.3008 0.0000 0.0000 51799.4355 -110080.0137 297.6921 -161879.4492 -109714.0313 298.1343 -26.6965 0.3396 760112.6548 -6.6298 -6.8406 PRESSURE: 692600 241.162 33.2861 27.4297 33.2854 -140.577 -51.4392 27.4302 -51.4396 -256.793 GPRESSURE: 692600 208.499 -26.8104 -51.9765 -12.3983 -158.397 -23.8781 -135.699 -65.3256 -123.055 PRESSAVG: 692600 2.34597 -4.95841 -19.5087 -4.95845 -39.0292 -2.57167 -19.5087 -2.57164 -6.46773 GPRESSAVG: 692600 -0.0301053 -6.5768 -19.8798 -3.84768 -38.8114 -2.60997 -17.6571 -2.66794 -4.68688 TIMING: 692600 CPU: 2249.4, 0.00321788/step Wall: 2249.4, 0.00321788/step, 3.85019 hours remaining, 231.605469 MB of memory in use. ENERGY: 692600 3949.4075 20451.6684 14547.8531 240.4229 -203502.4834 2548.3081 0.0000 0.0000 52051.6983 -109713.1253 299.1418 -161764.8235 -109337.3756 299.2323 -52.0691 -24.3179 760831.9203 -14.3836 -14.5095 PRESSURE: 692800 -45.2983 100.026 -39.4718 100.024 86.682 -70.2721 -39.4725 -70.2735 -492.167 GPRESSURE: 692800 2.6881 186.481 25.9409 135.073 79.1602 -98.3019 -92.041 -115.121 -449.344 PRESSAVG: 692800 32.6936 -34.0519 -9.14383 -34.0519 -29.9172 -30.5896 -9.14374 -30.5895 16.7234 GPRESSAVG: 692800 33.3907 -31.7104 -9.62338 -34.6428 -29.0932 -32.1139 -9.91492 -30.2123 15.2491 TIMING: 692800 CPU: 2250.04, 0.0032027/step Wall: 2250.04, 0.0032027/step, 3.83185 hours remaining, 231.621094 MB of memory in use. ENERGY: 692800 4036.9150 20302.5049 14474.5700 256.5385 -203787.2773 2769.2150 0.0000 0.0000 52133.1755 -109814.3585 299.6101 -161947.5340 -109446.5060 299.5308 -150.2610 -122.4984 759850.3335 6.4999 6.5155 PRESSURE: 693000 -183.959 -200.673 -128.762 -200.673 10.8772 -123.993 -128.762 -123.993 21.0396 GPRESSURE: 693000 -193.086 -169.564 -60.0414 -133.166 45.9427 -135.413 -141.198 -112.271 57.4362 PRESSAVG: 693000 29.2111 -2.93046 -4.37071 -2.93046 -62.0221 15.9034 -4.37067 15.9033 1.94847 GPRESSAVG: 693000 29.0839 -3.54582 -3.85764 -4.38439 -62.1084 18.087 -3.9136 14.2247 2.07251 TIMING: 693000 CPU: 2250.68, 0.0032046/step Wall: 2250.68, 0.0032046/step, 3.83395 hours remaining, 231.824219 MB of memory in use. ENERGY: 693000 3958.3623 20391.7590 14473.9204 250.2212 -203358.5947 2449.8500 0.0000 0.0000 52142.8862 -109691.5956 299.6659 -161834.4818 -109320.7873 298.8353 -50.6806 -29.9025 759887.3870 -10.2875 -10.3173 PRESSURE: 693200 -21.0279 134.323 -21.7339 134.324 -120.019 164.401 -21.7347 164.401 -124.959 GPRESSURE: 693200 9.9958 144.779 -44.3366 25.6748 -77.1546 284.962 -134.12 55.9913 -118.146 PRESSAVG: 693200 -22.7469 -28.5079 3.82548 -28.5078 25.2747 -41.8505 3.82548 -41.8505 -0.360802 GPRESSAVG: 693200 -21.1807 -27.714 3.81422 -28.5125 24.4603 -40.9917 3.88885 -41.7879 -0.323926 TIMING: 693200 CPU: 2251.32, 0.00323293/step Wall: 2251.32, 0.00323293/step, 3.86766 hours remaining, 231.824219 MB of memory in use. ENERGY: 693200 4010.1687 20427.2209 14475.0181 230.2635 -203418.3917 2216.4329 0.0000 0.0000 52246.4236 -109812.8640 300.2609 -162059.2877 -109440.8936 299.2755 -88.6685 -61.7682 759829.8533 0.7223 0.9852 PRESSURE: 693400 89.3549 61.5514 -13.9737 61.5509 -235.456 -154.783 -13.974 -154.782 121.427 GPRESSURE: 693400 244.146 -6.34712 4.06645 5.74346 -235.402 -204.232 17.7505 -122.548 67.3461 PRESSAVG: 693400 -9.03196 -74.854 43.9874 -74.854 5.69159 -47.0327 43.9874 -47.0326 0.735279 GPRESSAVG: 693400 -10.0835 -77.1461 43.7964 -74.924 6.3246 -48.149 42.8383 -45.8088 1.57849 TIMING: 693400 CPU: 2251.98, 0.00326113/step Wall: 2251.98, 0.00326113/step, 3.90121 hours remaining, 231.824219 MB of memory in use. ENERGY: 693400 3955.1583 20399.0621 14503.9761 263.4685 -203260.4504 2288.0089 0.0000 0.0000 52065.5450 -109785.2316 299.2214 -161850.7766 -109419.7179 298.8203 -8.2247 25.3636 761752.0873 -0.8684 -0.7268 PRESSURE: 693600 273.596 -64.6105 185.782 -64.6111 -157.535 -26.8186 185.782 -26.8195 118.566 GPRESSURE: 693600 216.796 -31.1277 123.988 -107.331 -125.659 -42.6259 227.468 -23.8208 231.808 PRESSAVG: 693600 -16.3523 -25.3818 21.1885 -25.3817 -39.5281 -78.4855 21.1885 -78.4856 -15.4168 GPRESSAVG: 693600 -15.8555 -24.8246 20.5132 -24.8428 -39.131 -76.6867 22.6358 -79.6125 -16.0688 TIMING: 693600 CPU: 2252.62, 0.00322038/step Wall: 2252.62, 0.00322038/step, 3.85229 hours remaining, 231.824219 MB of memory in use. ENERGY: 693600 4007.4093 20430.2363 14528.0502 260.2943 -203079.1762 2335.4452 0.0000 0.0000 51716.0952 -109801.6456 297.2131 -161517.7408 -109446.5081 298.8690 78.2088 107.6483 760540.0821 -23.7657 -23.6851 PRESSURE: 693800 64.8329 173.49 198.137 173.489 -48.2146 229.327 198.136 229.328 67.0674 GPRESSURE: 693800 110.603 182.714 254.722 128.173 -47.4892 252.913 152.834 133.192 101.364 PRESSAVG: 693800 21.4043 -13.4562 -6.87303 -13.4562 -26.9109 55.6492 -6.87303 55.6491 -10.9475 GPRESSAVG: 693800 21.2593 -14.3005 -7.31077 -14.4506 -26.6955 51.8599 -9.27806 56.6027 -10.5511 TIMING: 693800 CPU: 2253.27, 0.00323319/step Wall: 2253.27, 0.00323319/step, 3.86744 hours remaining, 231.824219 MB of memory in use. ENERGY: 693800 3939.5720 20432.2955 14492.3281 253.2806 -203690.4364 2590.6859 0.0000 0.0000 52132.0914 -109850.1830 299.6038 -161982.2744 -109485.1027 298.6985 27.8952 54.8259 760818.1217 -5.4847 -5.3291 PRESSURE: 694000 157.549 -320.7 135.492 -320.699 114.296 14.5472 135.492 14.5464 -23.2514 GPRESSURE: 694000 215.917 -302.398 52.1341 -197.879 195.142 49.0179 99.9621 73.0189 -82.4966 PRESSAVG: 694000 -23.4026 -18.7137 -16.3293 -18.7138 5.34538 14.4759 -16.3292 14.476 7.24893 GPRESSAVG: 694000 -23.9188 -17.1395 -14.3623 -19.6094 5.08777 17.0621 -14.9491 13.6802 8.32331 TIMING: 694000 CPU: 2253.92, 0.00324682/step Wall: 2253.92, 0.00324682/step, 3.88356 hours remaining, 231.824219 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: 694000 3928.6837 20375.3306 14443.6200 232.6621 -203765.9069 2841.5215 0.0000 0.0000 52077.2937 -109866.7953 299.2889 -161944.0890 -109498.1854 298.8356 82.8647 109.5211 758566.7165 -3.6028 -3.5026 PRESSURE: 694200 -58.0261 -133.889 -101.728 -133.889 306.793 29.2991 -101.727 29.2993 131.784 GPRESSURE: 694200 -6.12088 -22.8749 -192.129 -84.6847 348.477 -44.2839 -25.264 -51.5254 135.172 PRESSAVG: 694200 -4.44282 -57.243 56.6687 -57.243 15.1628 -12.0842 56.6687 -12.0842 3.54653 GPRESSAVG: 694200 -3.47755 -57.4331 53.937 -54.8804 15.3166 -14.0803 56.3403 -10.8018 2.14898 TIMING: 694200 CPU: 2254.56, 0.00321849/step Wall: 2254.56, 0.00321849/step, 3.84949 hours remaining, 231.824219 MB of memory in use. ENERGY: 694200 3892.1031 20408.8700 14488.2798 259.1705 -203312.2590 2306.4791 0.0000 0.0000 52043.2876 -109914.0688 299.0935 -161957.3565 -109557.7219 298.9279 126.8502 159.1763 758941.9869 4.7555 4.6627 PRESSURE: 694400 85.1306 -108.901 1.82331 -108.901 -203.558 26.3061 1.82359 26.3054 179.272 GPRESSURE: 694400 34.8477 -40.9063 -58.9514 -34.2424 -158.654 -31.4317 -90.0169 137.93 267 PRESSAVG: 694400 -53.1593 -39.1215 10.0096 -39.1214 50.2432 -29.2932 10.0096 -29.2932 -22.3966 GPRESSAVG: 694400 -53.6161 -40.9093 10.5653 -39.0222 49.5053 -30.3952 9.54393 -28.1045 -20.9521 TIMING: 694400 CPU: 2255.21, 0.0032561/step Wall: 2255.21, 0.0032561/step, 3.89429 hours remaining, 231.824219 MB of memory in use. ENERGY: 694400 3996.6973 20460.3778 14472.8660 234.6727 -203737.9750 2459.2644 0.0000 0.0000 52193.4931 -109920.6038 299.9567 -162114.0969 -109547.4241 298.9276 20.2814 47.7311 758541.8606 -8.4376 -8.3543 PRESSURE: 694600 110.472 39.6013 77.8387 39.6008 -18.0433 -24.4737 77.838 -24.4733 -34.7807 GPRESSURE: 694600 146.976 -49.99 125.176 132.166 25.958 6.18664 192.683 123.537 -20.5348 PRESSAVG: 694600 3.96725 -53.3816 36.3247 -53.3815 -15.3643 6.03373 36.3246 6.03374 9.90505 GPRESSAVG: 694600 4.67414 -53.1749 37.1583 -53.2133 -15.0018 8.19168 35.8863 4.14936 8.87052 TIMING: 694600 CPU: 2255.86, 0.00323067/step Wall: 2255.86, 0.00323067/step, 3.86371 hours remaining, 231.824219 MB of memory in use. ENERGY: 694600 3973.0216 20486.1603 14552.1445 256.3643 -203550.3460 2237.5157 0.0000 0.0000 52007.3510 -110037.7886 298.8870 -162045.1397 -109671.0118 298.5151 19.2161 50.7996 758183.6547 -0.4973 -0.4857 PRESSURE: 694800 -17.5722 -42.2506 -33.1121 -42.2499 72.9693 194.676 -33.1118 194.677 91.0804 GPRESSURE: 694800 115.615 -12.6065 -13.2571 -101.105 19.2006 158.252 -9.76542 101.47 119.323 PRESSAVG: 694800 -73.1248 -38.6423 21.0491 -38.6422 92.3519 -7.12416 21.0491 -7.1241 -10.4642 GPRESSAVG: 694800 -72.0823 -36.8766 20.8045 -40.126 92.2786 -7.18549 21.9474 -6.93558 -10.5162 TIMING: 694800 CPU: 2256.51, 0.00324488/step Wall: 2256.51, 0.00324488/step, 3.88051 hours remaining, 231.824219 MB of memory in use. ENERGY: 694800 3971.0424 20428.0333 14429.1940 236.2431 -203350.5407 2412.2754 0.0000 0.0000 52069.7392 -109804.0133 299.2455 -161873.7525 -109453.4253 298.6176 48.8258 84.7129 759601.7953 2.9210 3.2267 PRESSURE: 695000 -61.5201 -209.734 -237.94 -209.734 121.908 -122.158 -237.941 -122.158 -39.0862 GPRESSURE: 695000 -32.15 -165.447 -159.717 -306.567 128.609 -164.86 -217.144 -81.1263 18.9433 PRESSAVG: 695000 -9.52584 -13.2335 23.9922 -13.2335 38.6512 55.7129 23.9922 55.713 8.06991 GPRESSAVG: 695000 -9.43048 -14.1577 24.3483 -12.7884 38.2183 55.0438 24.9337 55.5767 8.77271 TIMING: 695000 CPU: 2257.15, 0.00323112/step Wall: 2257.15, 0.00323113/step, 3.86389 hours remaining, 231.824219 MB of memory in use. ENERGY: 695000 3989.4086 20499.8374 14425.2804 254.5378 -203440.3700 2384.9605 0.0000 0.0000 52172.6154 -109713.7298 299.8367 -161886.3452 -109346.5133 299.3485 7.1006 38.4673 759754.7762 12.3984 12.5202 PRESSURE: 695200 -326.156 57.9863 134.74 57.9866 -191.601 206.34 134.74 206.34 56.2388 GPRESSURE: 695200 -334.687 44.3627 183.519 74.4873 -169.884 295.146 154.99 12.2186 128.57 PRESSAVG: 695200 -22.5275 -42.8955 80.5769 -42.8956 19.6302 46.7018 80.5769 46.7018 -10.1012 GPRESSAVG: 695200 -22.5346 -44.1311 82.0273 -43.4851 19.3619 46.9156 78.2466 44.2769 -9.90144 TIMING: 695200 CPU: 2257.79, 0.00320319/step Wall: 2257.79, 0.00320319/step, 3.83031 hours remaining, 231.824219 MB of memory in use. ENERGY: 695200 4038.4102 20582.3301 14452.1397 252.5359 -203039.7479 2091.6878 0.0000 0.0000 51950.0294 -109672.6147 298.5575 -161622.6441 -109321.5527 298.9871 -153.8392 -125.3335 759954.1500 -4.3328 -4.3581 PRESSURE: 695400 -156.55 48.5097 -109.151 48.5102 -64.6608 55.3401 -109.151 55.34 56.0197 GPRESSURE: 695400 -56.0204 14.2598 11.1745 39.751 -76.3305 125.044 -221.201 121.84 39.7615 PRESSAVG: 695400 -3.96388 -31.3869 19.7737 -31.3869 21.8436 38.7559 19.7736 38.7558 2.6879 GPRESSAVG: 695400 -4.41564 -30.8652 18.0642 -31.9315 22.0765 39.0804 21.3214 40.4741 3.07614 TIMING: 695400 CPU: 2258.43, 0.00320398/step Wall: 2258.43, 0.00320398/step, 3.83106 hours remaining, 231.824219 MB of memory in use. ENERGY: 695400 4000.4480 20408.4780 14469.8390 219.3784 -203408.5975 2444.8047 0.0000 0.0000 51951.6836 -109913.9659 298.5670 -161865.6495 -109550.1741 299.2303 -55.0639 -30.8632 759783.3091 6.8559 6.9123 PRESSURE: 695600 -179.294 -200.765 -159.126 -200.765 82.3765 -70.0204 -159.126 -70.0215 382.154 GPRESSURE: 695600 -51.8269 -142.132 -230.697 -99.3954 131.968 -83.3577 -221.663 -190.974 302.544 PRESSAVG: 695600 11.6504 -62.4376 12.736 -62.4376 5.07278 -42.2208 12.736 -42.2208 12.5759 GPRESSAVG: 695600 11.9488 -63.511 11.4613 -59.2311 5.12157 -41.4887 13.3268 -41.9375 11.8507 TIMING: 695600 CPU: 2259.09, 0.00325842/step Wall: 2259.09, 0.00325842/step, 3.89599 hours remaining, 231.792969 MB of memory in use. ENERGY: 695600 3942.5832 20466.5777 14371.1660 256.0022 -203459.3420 2658.8776 0.0000 0.0000 52154.5984 -109609.5370 299.7332 -161764.1354 -109236.9999 298.9808 95.0788 127.5615 760061.2806 9.7663 9.6404 PRESSURE: 695800 -180.559 -172.173 -214.443 -172.172 131.885 -57.9074 -214.443 -57.9062 -346.324 GPRESSURE: 695800 -63.9001 -238.247 -327.713 -23.2714 84.8932 10.1982 -272.263 -218.484 -317.478 PRESSAVG: 695800 6.30711 -1.52225 -44.3742 -1.52231 -28.0962 32.2685 -44.3742 32.2685 -3.14233 GPRESSAVG: 695800 5.80565 -0.146231 -44.1598 -3.85133 -27.786 32.794 -45.5549 28.6631 -3.29539 TIMING: 695800 CPU: 2259.73, 0.00323659/step Wall: 2259.73, 0.00323659/step, 3.8697 hours remaining, 231.824219 MB of memory in use. ENERGY: 695800 3974.7842 20384.4929 14418.3809 237.4689 -203621.5878 2804.2163 0.0000 0.0000 52122.7220 -109679.5226 299.5500 -161802.2446 -109317.9694 298.8849 -131.6662 -98.8283 760780.3818 -8.3105 -8.4253 PRESSURE: 696000 -69.2143 -23.2901 -84.625 -23.2892 -202.299 195.796 -84.6257 195.797 42.074 GPRESSURE: 696000 -25.2596 46.3603 -102.825 16.438 -149.249 156.988 -12.2404 234.662 19.6523 PRESSAVG: 696000 3.34874 58.3108 -15.6231 58.3108 -13.2527 33.8801 -15.6231 33.8801 8.00212 GPRESSAVG: 696000 3.56797 59.1011 -15.2182 57.2864 -13.7649 32.0715 -15.1064 38.0141 8.13472 TIMING: 696000 CPU: 2260.38, 0.00323995/step Wall: 2260.38, 0.00323995/step, 3.87354 hours remaining, 231.824219 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: 696000 3956.7307 20305.6536 14359.0579 253.8340 -203525.2085 2602.7131 0.0000 0.0000 52264.9137 -109782.3056 300.3672 -162047.2193 -109409.7448 298.6888 -76.4796 -51.6186 760167.8256 -0.6339 -0.6874 PRESSURE: 696200 48.0365 -88.3347 114.605 -88.3342 -90.3367 34.4766 114.605 34.4776 75.2207 GPRESSURE: 696200 86.9766 -45.8982 32.9821 -103.255 -128.566 64.4715 201.342 -18.2468 157.445 PRESSAVG: 696200 20.7504 -10.3426 22.2289 -10.3425 40.3889 -2.75841 22.2289 -2.75845 -23.0236 GPRESSAVG: 696200 20.8743 -11.7215 21.0903 -9.98142 41.4756 -1.90137 23.3499 -1.35311 -23.7515 TIMING: 696200 CPU: 2261.02, 0.00321642/step Wall: 2261.02, 0.00321642/step, 3.84522 hours remaining, 231.824219 MB of memory in use. ENERGY: 696200 3924.5187 20583.0808 14409.7224 230.3007 -203582.9795 2807.7049 0.0000 0.0000 51732.3973 -109895.2547 297.3068 -161627.6520 -109542.8785 298.2436 10.9735 38.6185 761487.8515 12.7053 12.8661 LDB: ============= START OF LOAD BALANCING ============== 2273.45 LDB: ============== END OF LOAD BALANCING =============== 2273.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2273.45 LDB: ============= START OF LOAD BALANCING ============== 2273.77 LDB: Largest compute 7025 load 0.034821 is 17.8% of average load 0.195127 LDB: Average compute 0.004375 is 2.2% of average load 0.195127 LDB: TIME 2273.78 LOAD: AVG 0.195127 MAX 0.214015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 2273.78 LOAD: AVG 0.195127 MAX 0.214015 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: TIME 2273.78 LOAD: AVG 0.195127 MAX 0.214015 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: ============== END OF LOAD BALANCING =============== 2273.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2273.78 PRESSURE: 696400 -176.048 -267.768 -57.6837 -267.767 -197.945 -41.8706 -57.6833 -41.8702 -614.127 GPRESSURE: 696400 -172.749 -132.334 -104.536 -210.401 -138.775 -34.2591 66.1505 -56.1923 -583.732 PRESSAVG: 696400 3.80563 18.5271 48.8553 18.5271 14.1476 -18.421 48.8553 -18.421 34.2637 GPRESSAVG: 696400 2.61762 17.7807 51.567 19.6239 14.3834 -18.6062 46.5243 -20.1853 35.0319 TIMING: 696400 CPU: 2261.68, 0.00326173/step Wall: 2261.68, 0.00326173/step, 3.89921 hours remaining, 231.585938 MB of memory in use. ENERGY: 696400 4020.2437 20510.7084 14365.3486 241.8799 -203330.2411 2447.8145 0.0000 0.0000 51735.0452 -110009.2009 297.3220 -161744.2461 -109655.9396 298.2491 -329.3733 -298.4188 762049.7296 17.4057 17.3443 PRESSURE: 696600 59.6584 -90.0328 -19.1689 -90.0322 -311.747 -75.0922 -19.1693 -75.0916 -286.238 GPRESSURE: 696600 81.0566 -9.07777 -54.2711 -1.58479 -217.691 -26.2265 -16.7888 -229.493 -298.124 PRESSAVG: 696600 45.4975 -21.7156 -11.7069 -21.7155 -52.6117 0.469598 -11.7069 0.469612 -8.69211 GPRESSAVG: 696600 46.9378 -19.8566 -13.1535 -22.7961 -53.4928 2.18455 -10.4294 -0.395648 -9.20096 TIMING: 696600 CPU: 2262.31, 0.00316724/step Wall: 2262.31, 0.00316724/step, 3.78608 hours remaining, 231.585938 MB of memory in use. ENERGY: 696600 3925.0298 20504.6724 14373.1507 251.9024 -202856.2541 2024.5624 0.0000 0.0000 51988.2250 -109788.7115 298.7770 -161776.9365 -109424.3301 298.6195 -179.4421 -144.9194 761714.7770 -5.2688 -5.2520 PRESSURE: 696800 159.1 194.106 -67.6036 194.106 -110.316 102.8 -67.6038 102.799 -363.501 GPRESSURE: 696800 142.712 168.762 -38.9536 247.26 -24.7275 53.2842 17.829 -14.7517 -354.738 PRESSAVG: 696800 -12.8095 -3.99686 13.7081 -3.99684 14.9717 -29.6761 13.7081 -29.6761 -20.2808 GPRESSAVG: 696800 -12.0288 -4.33419 14.2552 -2.62033 14.7937 -32.0912 13.4533 -31.0773 -20.7818 TIMING: 696800 CPU: 2262.95, 0.00318833/step Wall: 2262.95, 0.00318833/step, 3.81111 hours remaining, 231.585938 MB of memory in use. ENERGY: 696800 3930.4909 20727.7702 14417.0326 235.4746 -203160.7626 2187.7094 0.0000 0.0000 51689.2086 -109973.0764 297.0586 -161662.2850 -109611.1996 298.3745 -104.9057 -78.9177 761362.5703 -6.0395 -6.0056 PRESSURE: 697000 23.6299 99.5956 -16.8891 99.5961 -244.403 192.429 -16.8896 192.429 126.301 GPRESSURE: 697000 167.63 -9.46298 -80.6545 64.2755 -214.691 165.101 20.679 236.687 64.1591 PRESSAVG: 697000 35.3098 49.7688 59.1272 49.7689 -36.09 8.12562 59.1272 8.12571 -29.8353 GPRESSAVG: 697000 33.2212 48.3047 58.7012 49.4602 -35.8358 8.86232 59.4494 9.04511 -28.3269 TIMING: 697000 CPU: 2263.58, 0.00318146/step Wall: 2263.58, 0.00318146/step, 3.80273 hours remaining, 231.585938 MB of memory in use. ENERGY: 697000 3934.9807 20464.5084 14503.6927 240.7709 -203846.9251 2717.0736 0.0000 0.0000 51777.9476 -110207.9513 297.5686 -161985.8989 -109856.9959 297.7109 -31.4909 5.6994 759091.8238 -10.2052 -10.3138 PRESSURE: 697200 -144.69 2.7298 53.6305 2.72892 -261.071 49.1951 53.6301 49.1955 -78.92 GPRESSURE: 697200 -129.869 -82.1915 33.4401 -13.0254 -231.825 75.0307 40.0781 51.55 -44.8069 PRESSAVG: 697200 15.3812 -33.1233 48.0861 -33.1234 -10.738 -4.02983 48.0861 -4.02989 8.52065 GPRESSAVG: 697200 15.1646 -31.6697 48.2346 -35.3127 -10.2358 -3.50983 47.5497 -4.34292 8.31017 TIMING: 697200 CPU: 2264.22, 0.00318818/step Wall: 2264.22, 0.00318818/step, 3.81058 hours remaining, 231.585938 MB of memory in use. ENERGY: 697200 4002.5055 20561.7609 14441.7944 255.7772 -203459.3025 2567.4297 0.0000 0.0000 51664.9516 -109965.0830 296.9192 -161630.0347 -109608.7805 297.3153 -161.5602 -135.5003 760785.9425 4.3879 4.4130 PRESSURE: 697400 -229.988 -7.85048 139.498 -7.85059 196.252 -34.5114 139.497 -34.5108 1.2485 GPRESSURE: 697400 -121.263 -60.4676 188.107 79.7089 163.533 -60.1477 54.8482 -24.3801 9.29739 PRESSAVG: 697400 -4.1624 -15.1562 19.9132 -15.1562 -35.7453 -22.2317 19.9132 -22.2317 6.48769 GPRESSAVG: 697400 -3.418 -15.2966 18.8299 -13.9723 -35.5789 -22.6486 20.3758 -20.706 5.85363 TIMING: 697400 CPU: 2264.87, 0.00323674/step Wall: 2264.87, 0.00323674/step, 3.86844 hours remaining, 231.585938 MB of memory in use. ENERGY: 697400 4014.2852 20600.3440 14500.4595 251.0974 -203376.6205 2482.5492 0.0000 0.0000 51899.4924 -109628.3929 298.2671 -161527.8853 -109272.9921 298.7268 -10.8289 17.1892 758323.1898 -11.1400 -11.0477 PRESSURE: 697600 -76.794 114.503 28.0866 114.503 -122.693 -267.778 28.0867 -267.78 -361.287 GPRESSURE: 697600 -40.437 61.8172 36.456 52.184 -26.3123 -308.937 125.039 -146.997 -380.746 PRESSAVG: 697600 29.8053 -15.1313 -13.3053 -15.1313 4.94081 10.3633 -13.3054 10.3634 -25.3084 GPRESSAVG: 697600 30.3818 -15.4474 -12.1816 -16.8831 4.64072 11.5272 -10.812 8.51096 -25.1823 TIMING: 697600 CPU: 2265.51, 0.00321125/step Wall: 2265.51, 0.00321125/step, 3.8378 hours remaining, 231.585938 MB of memory in use. ENERGY: 697600 3955.4378 20613.6081 14491.9775 249.2016 -203268.6250 2318.9863 0.0000 0.0000 51929.6001 -109709.8136 298.4401 -161639.4136 -109336.5931 299.0339 -186.9248 -149.1650 760842.5843 3.1459 3.2801 PRESSURE: 697800 -516.297 183.652 -26.569 183.652 -584.968 134.363 -26.568 134.364 -234.921 GPRESSURE: 697800 -538.85 173.1 -60.65 272.227 -521.662 36.8291 -32.9698 58.5487 -190.624 PRESSAVG: 697800 -14.661 -68.0223 -25.9593 -68.0223 -41.3907 -26.6051 -25.9593 -26.6051 -25.4947 GPRESSAVG: 697800 -14.7286 -68.4484 -24.4416 -67.5486 -40.9237 -27.8147 -29.2624 -27.8893 -25.7324 TIMING: 697800 CPU: 2266.14, 0.0031669/step Wall: 2266.14, 0.0031669/step, 3.78462 hours remaining, 231.585938 MB of memory in use. ENERGY: 697800 4045.2464 20617.4506 14468.7836 238.0807 -203368.8400 2322.4066 0.0000 0.0000 51838.9309 -109837.9413 297.9190 -161676.8722 -109476.8165 299.1861 -445.3951 -417.0449 759770.6061 -27.1822 -27.1282 PRESSURE: 698000 -278.486 111.842 -51.4701 111.842 -10.6532 35.6436 -51.4706 35.6436 3.86543 GPRESSURE: 698000 -147.715 107.739 -114.379 191.529 -38.3884 47.06 83.6043 82.359 1.20407 PRESSAVG: 698000 -23.2758 -32.6463 2.83057 -32.6463 11.3198 -42.4798 2.83057 -42.48 -5.08352 GPRESSAVG: 698000 -23.7935 -31.7271 0.512083 -31.4805 9.89839 -41.1434 6.00002 -41.7598 -3.48392 TIMING: 698000 CPU: 2266.78, 0.00319874/step Wall: 2266.78, 0.00319874/step, 3.82249 hours remaining, 231.585938 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: 698000 3993.0751 20383.0809 14458.3687 263.7291 -203848.9729 2759.9763 0.0000 0.0000 51998.6917 -109992.0511 298.8372 -161990.7428 -109627.1744 298.3342 -95.0913 -61.6330 758405.7966 -5.6798 -5.7930 PRESSURE: 698200 519.136 80.8983 81.0321 80.8983 359.131 63.5466 81.0319 63.5463 112.733 GPRESSURE: 698200 455.727 103.507 13.0328 26.3591 429.227 82.7864 68.6157 -161.706 195.949 PRESSAVG: 698200 25.9602 2.46242 20.4199 2.4624 -11.1323 31.8603 20.42 31.8603 -10.2036 GPRESSAVG: 698200 25.1529 3.02461 21.0108 1.45088 -9.04692 29.596 18.7504 34.6203 -11.303 TIMING: 698200 CPU: 2267.42, 0.00318192/step Wall: 2267.42, 0.00318193/step, 3.80222 hours remaining, 231.585938 MB of memory in use. ENERGY: 698200 4027.1675 20328.2648 14471.6315 226.4735 -203598.0139 2628.6384 0.0000 0.0000 52063.9325 -109851.9056 299.2121 -161915.8381 -109491.8072 298.6369 330.3336 360.3007 756989.2430 1.5414 1.6010 PRESSURE: 698400 28.7173 76.0728 -67.7819 76.0722 -238.79 281.186 -67.7825 281.187 -464.47 GPRESSURE: 698400 43.3987 130.378 -34.3827 117.264 -246.651 269.532 -148.915 430.422 -386.849 PRESSAVG: 698400 -28.6888 5.16658 -36.6986 5.16661 36.4459 67.9751 -36.6987 67.975 8.81029 GPRESSAVG: 698400 -29.15 5.11301 -35.3463 4.95537 36.3677 68.9538 -38.4665 67.8094 8.90587 TIMING: 698400 CPU: 2268.06, 0.00319114/step Wall: 2268.06, 0.00319114/step, 3.81306 hours remaining, 231.585938 MB of memory in use. ENERGY: 698400 4006.6338 20489.1283 14524.0891 236.1936 -203673.0602 2623.3141 0.0000 0.0000 51931.5088 -109862.1924 298.4511 -161793.7013 -109510.3614 298.6566 -224.8473 -196.7003 759294.8196 5.5225 5.3745 PRESSURE: 698600 -10.149 -25.7015 129.397 -25.7012 54.7982 -144.994 129.396 -144.994 200.231 GPRESSURE: 698600 22.9622 -103.42 154.974 -16.1464 115.495 -103.537 188.337 -115.173 197.697 PRESSAVG: 698600 2.97696 -42.5133 5.41625 -42.5133 17.6839 51.1503 5.41627 51.1503 6.8746 GPRESSAVG: 698600 4.57179 -42.4476 6.48546 -43.1325 16.5517 51.52 5.1088 49.72 6.52631 TIMING: 698600 CPU: 2268.69, 0.00317562/step Wall: 2268.69, 0.00317562/step, 3.79434 hours remaining, 231.585938 MB of memory in use. ENERGY: 698600 4006.7238 20493.4152 14530.0701 254.3411 -203647.8527 2632.9969 0.0000 0.0000 51889.8000 -109840.5056 298.2114 -161730.3056 -109494.0368 298.8747 81.6268 112.0515 758806.9671 9.1785 9.2166 PRESSURE: 698800 -207.328 144.491 81.5538 144.491 -315.014 126.744 81.5549 126.745 -126.426 GPRESSURE: 698800 -173.674 146.394 167.15 157.453 -285.273 132.896 -50.3329 108.765 -98.0005 PRESSAVG: 698800 -39.4816 -54.7056 -25.1155 -54.7056 50.699 73.5373 -25.1155 73.5373 0.441783 GPRESSAVG: 698800 -40.2583 -55.2842 -27.6112 -52.3302 51.4654 73.1892 -20.5173 74.1189 1.14016 TIMING: 698800 CPU: 2269.33, 0.00319421/step Wall: 2269.33, 0.00319421/step, 3.81637 hours remaining, 231.585938 MB of memory in use. ENERGY: 698800 3954.7722 20343.8460 14437.3683 252.3188 -202947.2586 2103.7531 0.0000 0.0000 52024.7727 -109830.4274 298.9871 -161855.2002 -109463.1022 298.9121 -216.2563 -185.6493 760158.2416 3.8864 4.1158 PRESSURE: 699000 37.6232 -14.496 33.0136 -14.4959 -134.274 -30.3675 33.0129 -30.3678 -202.412 GPRESSURE: 699000 37.9761 46.762 74.0848 -141.853 -61.9453 -41.8662 -13.8375 -73.3823 -205.954 PRESSAVG: 699000 61.9622 -97.6282 -12.1011 -97.6282 -37.995 -40.7874 -12.1011 -40.7874 19.462 GPRESSAVG: 699000 62.3063 -97.842 -11.7391 -96.8814 -36.8765 -43.2644 -15.486 -39.1908 18.3953 TIMING: 699000 CPU: 2270, 0.00331256/step Wall: 2270, 0.00331256/step, 3.95759 hours remaining, 231.585938 MB of memory in use. ENERGY: 699000 4112.8357 20577.6675 14382.1410 267.7358 -203366.6053 2492.0906 0.0000 0.0000 51618.4905 -109915.6444 296.6522 -161534.1348 -109569.8008 298.5256 -99.6875 -76.6410 759722.2598 14.4764 14.6084 PRESSURE: 699200 -218.94 53.1666 -127.661 53.1662 -71.4679 9.8613 -127.661 9.8614 260.199 GPRESSURE: 699200 -216.671 108.359 -140.634 106.962 -37.7979 -26.6136 -178.388 -24.3196 301.98 PRESSAVG: 699200 17.5802 24.6858 -32.1469 24.6858 -2.32045 20.5257 -32.1469 20.5256 10.8354 GPRESSAVG: 699200 16.8695 23.7808 -31.4188 23.4895 -2.58831 23.2632 -30.3529 17.6399 11.6294 TIMING: 699200 CPU: 2270.62, 0.00314207/step Wall: 2270.62, 0.00314207/step, 3.75373 hours remaining, 231.585938 MB of memory in use. ENERGY: 699200 4015.5894 20423.1621 14495.7228 240.3729 -203221.3416 2455.6581 0.0000 0.0000 51681.7129 -109909.1233 297.0155 -161590.8362 -109545.5660 298.4181 -10.0695 15.8371 760068.4728 8.6984 8.6369 PRESSURE: 699400 -126.636 -140.319 187.357 -140.319 112.188 -159.945 187.356 -159.946 -284.962 GPRESSURE: 699400 -68.3765 -169.315 203.644 -150.688 86.2618 -200.929 94.8909 -97.1133 -209.268 PRESSAVG: 699400 -43.4775 -29.253 15.1192 -29.253 17.1047 40.4231 15.1192 40.4231 16.0601 GPRESSAVG: 699400 -42.1461 -28.2021 14.0788 -29.5317 16.4669 38.9917 14.7736 41.9584 15.8001 TIMING: 699400 CPU: 2271.25, 0.00313639/step Wall: 2271.25, 0.00313639/step, 3.74677 hours remaining, 231.585938 MB of memory in use. ENERGY: 699400 3970.0584 20495.1175 14457.3819 227.8415 -203148.8740 2278.8421 0.0000 0.0000 51691.7549 -110027.8777 297.0732 -161719.6326 -109663.5456 298.1548 -99.8033 -63.7943 761284.8692 -3.4376 -3.2931 PRESSURE: 699600 -83.7647 -63.2949 122.958 -63.2951 -126.443 -16.8038 122.958 -16.804 81.1484 GPRESSURE: 699600 -44.399 -121.216 102.334 -3.52888 -76.8974 17.431 217.724 -86.1427 73.3382 PRESSAVG: 699600 -34.7062 -77.9062 -13.3482 -77.9062 21.8879 0.626714 -13.3481 0.626699 13.6409 GPRESSAVG: 699600 -34.149 -78.1942 -13.8611 -75.7582 21.6512 1.75208 -14.4305 0.750303 12.8139 TIMING: 699600 CPU: 2271.88, 0.00315933/step Wall: 2271.88, 0.00315933/step, 3.77399 hours remaining, 231.585938 MB of memory in use. ENERGY: 699600 4011.6517 20236.9632 14441.9006 229.7800 -203674.8692 2698.7989 0.0000 0.0000 51803.4476 -110252.3271 297.7151 -162055.7747 -109886.1422 297.9853 -43.0198 -15.9861 760565.4803 0.2742 0.1054 PRESSURE: 699800 -154.45 167.923 134.221 167.923 -246.693 119.126 134.221 119.127 -4.51639 GPRESSURE: 699800 -112.299 72.1408 171.837 6.15266 -223.358 84.6095 23.0019 188.05 4.21329 PRESSAVG: 699800 40.4133 1.0163 -4.31984 1.01639 -30.92 75.5772 -4.31983 75.5771 -14.1325 GPRESSAVG: 699800 38.1597 3.51528 -3.57865 -2.13457 -30.2298 76.2929 -3.83481 74.7087 -13.0302 TIMING: 699800 CPU: 2272.52, 0.00315895/step Wall: 2272.52, 0.00315895/step, 3.77337 hours remaining, 231.585938 MB of memory in use. ENERGY: 699800 3891.7395 20486.7872 14477.6296 253.7653 -203945.5833 2670.7351 0.0000 0.0000 51844.5234 -110320.4031 297.9512 -162164.9266 -109953.5800 297.8719 -135.2199 -110.4813 760471.2760 -1.5464 -1.7001 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.014 seconds, 231.586 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700000 -343.614 118.593 235.784 118.593 -268.259 -51.3176 235.784 -51.3171 -73.4389 GPRESSURE: 700000 -250.242 105.647 138.221 -34.0187 -249.33 -58.7833 196.33 38.9082 -95.8624 PRESSAVG: 700000 -7.85231 -34.8234 81.0359 -34.8233 16.2811 13.6046 81.0359 13.6046 13.5914 GPRESSAVG: 700000 -7.07826 -37.3151 81.2437 -32.9474 16.0738 13.67 81.8434 12.5802 13.3289 TIMING: 700000 CPU: 2273.17, 0.00326974/step Wall: 2273.17, 0.00326974/step, 3.90552 hours remaining, 231.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 700000 3944.4884 20448.9094 14472.5594 255.1980 -203990.6570 2707.8264 0.0000 0.0000 51666.1433 -110495.5322 296.9260 -162161.6755 -110128.9038 297.5534 -228.4372 -198.4781 760567.1863 7.3401 7.4415 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 PRESSURE: 700200 -49.5826 -126.171 -93.8659 -126.171 -97.7766 16.4077 -93.8651 16.4078 -102.764 GPRESSURE: 700200 -88.805 -64.1998 -55.4947 -67.8643 12.3764 1.9122 -74.3602 159.102 -78.5656 PRESSAVG: 700200 60.3829 -9.30957 23.1894 -9.3096 6.68233 41.3732 23.1894 41.3732 -3.32053 GPRESSAVG: 700200 60.5759 -8.07036 23.0183 -10.736 6.17119 40.357 21.3903 42.6502 -2.65679 TIMING: 700200 CPU: 2273.8, 0.00317115/step Wall: 2273.8, 0.00317115/step, 3.78758 hours remaining, 231.585938 MB of memory in use. ENERGY: 700200 3932.6870 20301.0909 14469.7464 239.7166 -203402.3080 2386.5174 0.0000 0.0000 51541.7416 -110530.8081 296.2111 -162072.5497 -110167.6927 297.1963 -83.3743 -51.6647 760396.7330 21.2482 21.3634 LDB: ============= START OF LOAD BALANCING ============== 2286.23 LDB: ============== END OF LOAD BALANCING =============== 2286.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.23 LDB: ============= START OF LOAD BALANCING ============== 2286.54 LDB: Largest compute 7069 load 0.033843 is 17.3% of average load 0.195121 LDB: Average compute 0.004384 is 2.2% of average load 0.195121 LDB: TIME 2286.55 LOAD: AVG 0.195121 MAX 0.214521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.645 MB LDB: TIME 2286.55 LOAD: AVG 0.195121 MAX 0.214521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: TIME 2286.55 LOAD: AVG 0.195121 MAX 0.214521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: ============== END OF LOAD BALANCING =============== 2286.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.55 PRESSURE: 700400 14.913 62.6924 -111.638 62.693 -316.727 165.483 -111.639 165.483 -322.01 GPRESSURE: 700400 -31.766 42.2149 -36.887 22.6884 -153.976 95.9107 -113.907 203.605 -369.815 PRESSAVG: 700400 13.7051 24.9917 -16.1653 24.9917 -11.6528 -0.309553 -16.1653 -0.309597 -11.775 GPRESSAVG: 700400 14.4824 25.6307 -14.8643 24.9043 -11.7199 -1.37499 -17.2701 0.960976 -12.8246 TIMING: 700400 CPU: 2274.45, 0.00322898/step Wall: 2274.45, 0.00322898/step, 3.85647 hours remaining, 233.554688 MB of memory in use. ENERGY: 700400 3995.4861 20364.0157 14469.6197 251.5009 -204184.7308 2828.8471 0.0000 0.0000 51901.7238 -110373.5375 298.2799 -162275.2613 -110011.5044 297.8440 -207.9415 -185.1857 759093.0421 -3.2409 -3.3540 PRESSURE: 700600 -15.3734 235.098 4.63391 235.098 -61.6497 89.0068 4.63333 89.0065 -51.8848 GPRESSURE: 700600 35.0323 163.314 76.2882 180.285 -52.3701 57.5713 77.6032 69.1183 -17.6761 PRESSAVG: 700600 -8.05055 7.41096 31.3669 7.41096 -14.7611 7.93739 31.3669 7.93747 8.14072 GPRESSAVG: 700600 -8.32152 5.00088 30.2746 8.38243 -14.7655 8.68569 32.1812 6.95406 8.54123 TIMING: 700600 CPU: 2275.08, 0.00316135/step Wall: 2275.08, 0.00316136/step, 3.77554 hours remaining, 233.882812 MB of memory in use. ENERGY: 700600 3984.8356 20427.3190 14433.9223 254.6271 -203903.1790 2758.4120 0.0000 0.0000 51772.4142 -110271.6489 297.5368 -162044.0631 -109913.2211 297.4098 -42.9693 -11.6713 760112.6932 -4.8903 -4.8486 PRESSURE: 700800 240.312 -51.9737 159.09 -51.9745 -105.264 21.065 159.09 21.0641 88.1613 GPRESSURE: 700800 248.222 -123.267 187.873 -64.8453 -70.3702 26.2033 33.7118 196.326 137.32 PRESSAVG: 700800 71.2295 12.3419 9.02338 12.3419 -58.6345 4.84899 9.02336 4.84893 -11.4958 GPRESSAVG: 700800 70.0937 13.8858 9.84957 13.1551 -56.789 4.67475 8.45538 6.32517 -11.808 TIMING: 700800 CPU: 2275.74, 0.00329986/step Wall: 2275.74, 0.00329986/step, 3.94077 hours remaining, 233.972656 MB of memory in use. ENERGY: 700800 3898.5194 20325.8395 14536.5379 252.9431 -203867.3443 2732.5652 0.0000 0.0000 51820.6870 -110300.2522 297.8142 -162120.9392 -109943.2727 297.9404 74.4029 105.0571 759211.8179 0.3664 0.4989 PRESSURE: 701000 -113.966 -115.73 -47.6139 -115.73 211.363 -206.159 -47.6147 -206.158 -174.092 GPRESSURE: 701000 -150.357 -226.898 -7.23709 -194.282 301.04 -144.399 3.11716 -153.567 -153.356 PRESSAVG: 701000 36.4093 -29.4761 0.873488 -29.4761 -11.7175 -45.2683 0.873467 -45.2684 5.6032 GPRESSAVG: 701000 35.5896 -30.5537 0.722401 -29.7044 -11.8065 -45.7023 2.28278 -46.7062 6.54699 TIMING: 701000 CPU: 2276.37, 0.0031381/step Wall: 2276.37, 0.0031381/step, 3.74741 hours remaining, 233.972656 MB of memory in use. ENERGY: 701000 4014.1906 20449.5974 14464.6710 241.0689 -203891.5110 2630.0702 0.0000 0.0000 51872.0169 -110219.8960 298.1092 -162091.9129 -109861.5160 297.8978 -25.5653 -0.8908 760044.0655 10.0984 10.1100 PRESSURE: 701200 418.966 11.2378 223.373 11.2379 -160.227 274.195 223.374 274.195 165.065 GPRESSURE: 701200 431.725 56.9837 219.237 77.7952 -92.8439 254.953 165.302 121.09 164.09 PRESSAVG: 701200 -10.2022 -45.7037 2.68699 -45.7037 26.1577 -27.4631 2.68698 -27.4631 19.945 GPRESSAVG: 701200 -9.20995 -45.1228 1.6538 -44.8083 24.8918 -27.4202 5.58153 -27.2075 19.9936 TIMING: 701200 CPU: 2277, 0.00315671/step Wall: 2277, 0.00315671/step, 3.76947 hours remaining, 233.972656 MB of memory in use. ENERGY: 701200 3992.0977 20499.0086 14427.9726 230.6730 -204174.5388 2893.1263 0.0000 0.0000 52015.0787 -110116.5819 298.9314 -162131.6606 -109764.2574 298.4628 141.2679 167.6569 759219.6469 11.9669 11.8918 PRESSURE: 701400 -63.5564 65.318 82.1656 65.3175 283.602 -44.6037 82.1646 -44.6048 -55.631 GPRESSURE: 701400 -49.4172 126.642 110.023 100.486 313.849 -30.8042 101.86 73.5555 4.27054 PRESSAVG: 701400 42.8436 -21.8353 -51.6963 -21.8354 -18.589 34.0405 -51.6963 34.0404 16.3447 GPRESSAVG: 701400 43.5435 -21.7521 -51.2486 -23.7824 -19.3999 35.2025 -53.5147 33.0407 16.6219 TIMING: 701400 CPU: 2277.64, 0.00318193/step Wall: 2277.64, 0.00318193/step, 3.7994 hours remaining, 233.972656 MB of memory in use. ENERGY: 701400 4004.1908 20468.6010 14410.3361 252.6403 -203825.1731 2818.9175 0.0000 0.0000 51868.7016 -110001.7858 298.0901 -161870.4874 -109640.8477 298.3301 54.8047 89.5673 761277.5486 13.5331 13.5885 PRESSURE: 701600 353.643 160.725 -21.3529 160.726 375.509 204.715 -21.3534 204.715 339.209 GPRESSURE: 701600 354.65 264.34 56.6586 153.595 428.027 226.559 15.2532 190.191 371.069 PRESSAVG: 701600 -11.0624 -13.9301 -41.7514 -13.9301 4.54853 -3.49893 -41.7513 -3.4989 -7.17641 GPRESSAVG: 701600 -10.7379 -15.1104 -41.357 -13.3114 5.59005 -4.07973 -40.652 -3.8647 -7.71128 TIMING: 701600 CPU: 2278.27, 0.00314466/step Wall: 2278.27, 0.00314466/step, 3.75473 hours remaining, 233.972656 MB of memory in use. ENERGY: 701600 3909.0158 20617.4493 14410.4696 253.3137 -204168.0996 3060.9358 0.0000 0.0000 51927.8526 -109989.0629 298.4301 -161916.9155 -109627.3712 298.2504 356.1204 384.5822 759925.0138 -4.5634 -4.2864 PRESSURE: 701800 -199.896 -166.91 -333.074 -166.91 -160.089 -11.6037 -333.074 -11.603 288.846 GPRESSURE: 701800 -265.042 -52.8171 -284.898 -145.654 -85.0669 -3.38324 -323.993 -111.507 356.576 PRESSAVG: 701800 -43.0525 -46.8787 -58.5723 -46.8786 71.316 -32.2188 -58.5723 -32.2188 -13.7319 GPRESSAVG: 701800 -44.3818 -45.9699 -59.2354 -47.706 71.7014 -31.5519 -58.6802 -31.7859 -12.5939 TIMING: 701800 CPU: 2278.9, 0.00317969/step Wall: 2278.9, 0.00317969/step, 3.79637 hours remaining, 233.972656 MB of memory in use. ENERGY: 701800 3862.9851 20643.5903 14425.5633 234.9914 -203411.2177 2441.2572 0.0000 0.0000 51719.4092 -110083.4213 297.2322 -161802.8304 -109728.5234 299.1830 -23.7128 2.1557 761109.0317 4.8439 4.9086 PRESSURE: 702000 206.362 1.2242 98.3923 1.22441 48.1282 138.286 98.3926 138.286 164.701 GPRESSURE: 702000 259.334 26.4391 38.6329 51.8764 107.95 43.3992 109.183 77.2265 118.641 PRESSAVG: 702000 -52.7492 11.0749 -40.2545 11.0749 64.782 -7.74472 -40.2545 -7.74468 4.21505 GPRESSAVG: 702000 -51.9705 11.8979 -41.4327 11.7937 64.9543 -8.48503 -40.2927 -8.02736 3.1403 TIMING: 702000 CPU: 2279.53, 0.00313708/step Wall: 2279.53, 0.00313708/step, 3.74533 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 702000 3952.4873 20606.2270 14459.7773 256.7537 -204317.9753 3017.4260 0.0000 0.0000 51960.5060 -110064.7979 298.6177 -162025.3039 -109700.1006 298.6598 139.7305 161.9749 760235.2602 5.4159 5.3747 PRESSURE: 702200 -506.939 -127.738 93.9182 -127.739 -331.968 -250.931 93.9182 -250.931 -240.586 GPRESSURE: 702200 -535.855 -145.089 137.353 -95.8443 -244.583 -177.362 -32.1495 -70.6905 -213.938 PRESSAVG: 702200 -68.5771 -8.22133 6.12427 -8.22132 66.1911 -30.1423 6.12421 -30.1423 4.70654 GPRESSAVG: 702200 -69.7132 -9.36568 7.40235 -8.84394 67.143 -29.252 4.21354 -29.6575 4.59035 TIMING: 702200 CPU: 2280.16, 0.0031328/step Wall: 2280.16, 0.0031328/step, 3.74005 hours remaining, 234.113281 MB of memory in use. ENERGY: 702200 4054.8162 20638.5217 14405.0370 223.6729 -203629.9755 2337.2406 0.0000 0.0000 52032.3974 -109938.2899 299.0309 -161970.6872 -109575.8350 298.6819 -359.8311 -331.4589 761891.5091 0.7735 0.6734 PRESSURE: 702400 -342.671 34.6614 -2.32987 34.6602 -260.657 -35.9 -2.33009 -35.8999 -60.2256 GPRESSURE: 702400 -274.344 102.156 -30.7617 28.6848 -187.096 -70.0108 11.4896 -32.2131 -104.933 PRESSAVG: 702400 -65.8534 -15.9666 1.83802 -15.9666 39.5293 -31.2716 1.83793 -31.2715 16.3195 GPRESSAVG: 702400 -64.9986 -15.5932 3.07193 -15.0529 38.5137 -30.9186 1.25711 -31.6827 17.2077 TIMING: 702400 CPU: 2280.8, 0.00324504/step Wall: 2280.8, 0.00324504/step, 3.87385 hours remaining, 234.113281 MB of memory in use. ENERGY: 702400 3978.6497 20366.4384 14452.8494 248.4473 -203495.8403 2417.1293 0.0000 0.0000 51888.1619 -110144.1643 298.2020 -162032.3262 -109768.4390 298.1446 -221.1844 -188.7910 761461.9628 -3.3349 -3.0924 PRESSURE: 702600 48.6987 -75.3208 -114.827 -75.3209 155.465 22.4452 -114.827 22.4448 259.33 GPRESSURE: 702600 121.021 -221.692 -32.4037 -85.5706 169.977 -2.2832 -147.652 87.9665 257.125 PRESSAVG: 702600 4.5783 -35.7787 24.386 -35.7788 17.8381 26.621 24.386 26.621 1.88025 GPRESSAVG: 702600 6.28636 -36.425 23.4216 -38.6798 17.5969 27.143 24.8876 27.2035 0.271073 TIMING: 702600 CPU: 2281.43, 0.00313664/step Wall: 2281.43, 0.00313664/step, 3.74428 hours remaining, 234.113281 MB of memory in use. ENERGY: 702600 3940.1045 20616.4277 14410.7162 249.3502 -203809.2841 2690.2545 0.0000 0.0000 51905.5876 -109996.8433 298.3021 -161902.4309 -109638.4579 298.0689 154.4979 182.7078 759908.6325 8.0989 8.0514 PRESSURE: 702800 -107.756 174.401 252.191 174.401 36.0065 9.61212 252.19 9.61278 -167.921 GPRESSURE: 702800 -88.405 231.754 158.522 125.433 23.8569 -56.4206 156.802 9.8731 -89.1426 PRESSAVG: 702800 -28.9871 -60.1884 28.8588 -60.1884 -33.3221 -28.5347 28.8588 -28.5347 14.2289 GPRESSAVG: 702800 -29.7391 -59.5673 28.644 -58.7181 -34.3394 -29.4752 28.268 -28.0689 15.6116 TIMING: 702800 CPU: 2282.06, 0.00316312/step Wall: 2282.06, 0.00316312/step, 3.77571 hours remaining, 234.113281 MB of memory in use. ENERGY: 702800 4060.9476 20392.3766 14426.6371 227.7538 -203570.7009 2556.2218 0.0000 0.0000 52054.3946 -109852.3694 299.1573 -161906.7640 -109481.3857 298.1402 -79.8900 -51.2303 759043.6812 -16.0268 -16.1556 PRESSURE: 703000 19.0749 -56.151 -18.4127 -56.1513 -209.996 147.226 -18.4131 147.227 -8.74264 GPRESSURE: 703000 9.98841 -147.161 -43.666 -55.6534 -62.7828 140.533 -5.40703 117.46 -43.5519 PRESSAVG: 703000 7.69325 -2.68631 14.0882 -2.68626 6.30817 14.5393 14.0883 14.5393 21.4898 GPRESSAVG: 703000 6.68318 -1.10414 16.3496 -2.16357 8.27138 15.5203 13.3326 11.5774 20.971 TIMING: 703000 CPU: 2282.7, 0.00316064/step Wall: 2282.7, 0.00316064/step, 3.77258 hours remaining, 234.113281 MB of memory in use. ENERGY: 703000 4051.3465 20562.2441 14455.6170 229.6837 -203780.1861 2751.4813 0.0000 0.0000 51953.2770 -109776.5365 298.5762 -161729.8135 -109416.7242 299.3090 -66.5545 -32.1154 761814.9778 11.8304 11.9752 PRESSURE: 703200 61.2876 78.3014 -68.8689 78.3012 250.113 127.135 -68.8687 127.135 186.517 GPRESSURE: 703200 191.33 18.2046 -121.78 41.9999 186.103 123.806 -77.7433 -28.3461 203.547 PRESSAVG: 703200 -4.27555 -73.1601 -25.102 -73.1601 22.563 -30.2709 -25.102 -30.271 10.5265 GPRESSAVG: 703200 -4.31022 -75.2897 -27.9861 -75.5875 21.7942 -31.6028 -22.8829 -30.0716 11.0042 TIMING: 703200 CPU: 2283.33, 0.00317874/step Wall: 2283.33, 0.00317874/step, 3.794 hours remaining, 234.113281 MB of memory in use. ENERGY: 703200 3986.3203 20504.8002 14502.4171 240.7266 -204019.9011 2773.8916 0.0000 0.0000 52153.9167 -109857.8285 299.7293 -162011.7452 -109498.8882 298.7518 165.9725 193.6600 759416.8050 9.6047 9.4960 PRESSURE: 703400 -155.929 -238.192 -205.818 -238.193 41.9431 -21.5916 -205.818 -21.5916 -170.436 GPRESSURE: 703400 -140.051 -201.419 -108.418 -251.767 61.5771 -47.1046 -185.705 116.22 -123.755 PRESSAVG: 703400 -43.735 -55.7005 -10.1831 -55.7006 58.5918 -24.7735 -10.1831 -24.7737 1.26315 GPRESSAVG: 703400 -43.0807 -52.439 -8.46015 -56.069 58.3837 -24.3662 -11.098 -24.3387 0.427926 TIMING: 703400 CPU: 2283.97, 0.00316667/step Wall: 2283.97, 0.00316667/step, 3.77942 hours remaining, 234.183594 MB of memory in use. ENERGY: 703400 3942.3972 20393.0646 14461.4857 264.9220 -203723.5261 2687.2387 0.0000 0.0000 51853.0874 -110121.3304 298.0004 -161974.4178 -109752.0443 298.7780 -94.8072 -67.4098 760109.0311 5.3733 5.2436 PRESSURE: 703600 155.35 -26.5289 -1.61933 -26.528 225.831 74.6707 -1.62015 74.6702 -174.31 GPRESSURE: 703600 159.43 -45.7798 56.0576 -21.5169 325.491 103.321 -34.0161 -25.1658 -184.782 PRESSAVG: 703600 26.1607 -51.2488 -35.5388 -51.2489 -23.4634 -39.3382 -35.5389 -39.3382 -23.1865 GPRESSAVG: 703600 26.5062 -53.5461 -36.1506 -48.3609 -24.8691 -40.7937 -35.3149 -39.0844 -22.1506 TIMING: 703600 CPU: 2284.62, 0.00329507/step Wall: 2284.62, 0.00329507/step, 3.93248 hours remaining, 234.183594 MB of memory in use. ENERGY: 703600 3892.7417 20444.7132 14389.8134 245.2892 -203450.3236 2506.9814 0.0000 0.0000 51669.1659 -110301.6188 296.9434 -161970.7847 -109941.0770 297.8839 68.9569 100.0464 760141.6041 -6.8297 -6.8378 PRESSURE: 703800 -445.902 -115.562 -106.13 -115.562 93.7037 -124.713 -106.13 -124.713 36.4854 GPRESSURE: 703800 -370.339 -81.9836 -177.212 -202.359 158.49 -92.5903 -139.675 -257.733 -2.46471 PRESSAVG: 703800 -4.06873 -41.396 -29.2863 -41.3961 -6.07015 -9.49577 -29.2863 -9.49582 19.1064 GPRESSAVG: 703800 -5.29192 -40.2441 -28.5897 -44.1992 -4.30043 -9.69719 -29.027 -9.70661 18.8186 TIMING: 703800 CPU: 2285.26, 0.00316968/step Wall: 2285.26, 0.00316968/step, 3.78267 hours remaining, 234.183594 MB of memory in use. ENERGY: 703800 3897.5116 20444.6402 14432.0839 263.3800 -203450.2569 2499.8056 0.0000 0.0000 51788.3819 -110124.4536 297.6285 -161912.8356 -109769.6757 297.3210 -105.2376 -71.4380 760998.5865 2.9892 3.0754 PRESSURE: 704000 28.1174 -54.5932 -49.6472 -54.5937 -57.8117 -144.377 -49.647 -144.377 40.2422 GPRESSURE: 704000 136.94 -7.70006 -23.8885 -78.2041 -21.6658 -125.365 -1.95858 22.6496 -6.08088 PRESSAVG: 704000 0.884705 -39.344 -28.0248 -39.344 12.3107 8.71131 -28.0247 8.71134 0.365148 GPRESSAVG: 704000 1.9089 -39.9597 -28.0508 -37.8729 11.0609 9.48645 -27.0333 12.0046 0.376135 TIMING: 704000 CPU: 2285.89, 0.00315472/step Wall: 2285.89, 0.00315472/step, 3.76464 hours remaining, 234.183594 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: 704000 4039.1474 20421.8381 14531.0939 252.7081 -203572.4210 2772.8416 0.0000 0.0000 51577.3513 -109977.4407 296.4157 -161554.7920 -109622.2805 298.4058 3.5160 36.3979 761764.7030 4.5202 4.4486 PRESSURE: 704200 -116.961 127.884 -220.969 127.884 129.717 81.5192 -220.97 81.5192 -233.367 GPRESSURE: 704200 -130.018 183.952 -205.763 -17.6966 269.884 91.5564 -194.22 77.4047 -269.21 PRESSAVG: 704200 -26.4032 26.0264 -15.2923 26.0264 -43.6467 -8.87745 -15.2923 -8.87743 9.29354 GPRESSAVG: 704200 -26.9042 27.025 -14.755 26.8622 -41.541 -8.31019 -16.3866 -9.41706 7.46284 TIMING: 704200 CPU: 2286.52, 0.00316462/step Wall: 2286.52, 0.00316462/step, 3.77627 hours remaining, 234.183594 MB of memory in use. ENERGY: 704200 3998.5460 20493.1104 14461.8494 240.8352 -203817.0145 2742.7967 0.0000 0.0000 51937.9897 -109941.8872 298.4883 -161879.8769 -109588.1864 298.4686 -73.5369 -43.1144 761719.7874 -20.2521 -20.3274 LDB: ============= START OF LOAD BALANCING ============== 2298.95 LDB: ============== END OF LOAD BALANCING =============== 2298.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2298.95 LDB: ============= START OF LOAD BALANCING ============== 2299.27 LDB: Largest compute 7070 load 0.032918 is 16.9% of average load 0.194993 LDB: Average compute 0.004394 is 2.3% of average load 0.194993 LDB: TIME 2299.28 LOAD: AVG 0.194993 MAX 0.21166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.785 MB LDB: TIME 2299.28 LOAD: AVG 0.194993 MAX 0.21166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.992 MB LDB: TIME 2299.28 LOAD: AVG 0.194993 MAX 0.21166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.992 MB LDB: ============== END OF LOAD BALANCING =============== 2299.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2299.28 Info: useSync: 0 useProxySync: 0 PRESSURE: 704400 -393.844 -35.654 54.9543 -35.6548 51.041 58.3376 54.954 58.3371 -61.9548 GPRESSURE: 704400 -372.697 -67.4526 61.0268 72.6979 180.534 60.4684 93.122 8.94522 -122.764 PRESSAVG: 704400 16.8243 7.68132 19.2956 7.68137 -20.3676 23.7281 19.2956 23.7281 -14.5457 GPRESSAVG: 704400 16.2314 5.66405 19.2806 6.60413 -20.7878 23.4265 19.4094 20.7518 -13.9454 TIMING: 704400 CPU: 2287.18, 0.00327702/step Wall: 2287.18, 0.00327702/step, 3.91021 hours remaining, 232.238281 MB of memory in use. ENERGY: 704400 4027.3201 20335.7531 14434.2576 250.1711 -203639.9835 2634.4377 0.0000 0.0000 52132.3173 -109825.7266 299.6051 -161958.0439 -109465.4893 298.7242 -134.9191 -104.9755 760582.5919 -6.0297 -6.1673 PRESSURE: 704600 -354.817 -32.1852 -18.8773 -32.1842 -42.4408 -108.181 -18.8773 -108.182 77.742 GPRESSURE: 704600 -279.668 73.5362 -23.7705 -25.6176 -110.923 -149.73 -100.941 -16.1758 133.534 PRESSAVG: 704600 -11.4255 -44.6206 -22.9207 -44.6206 -39.9291 21.1776 -22.9207 21.1775 -5.29497 GPRESSAVG: 704600 -12.0774 -42.4675 -23.2093 -44.574 -40.3094 20.2117 -22.7142 22.1898 -4.40436 TIMING: 704600 CPU: 2287.82, 0.00319589/step Wall: 2287.82, 0.00319589/step, 3.81323 hours remaining, 232.238281 MB of memory in use. ENERGY: 704600 3985.7954 20484.8332 14478.9267 237.4513 -203757.4115 2770.7195 0.0000 0.0000 51917.1847 -109882.5008 298.3688 -161799.6855 -109529.2787 298.6586 -106.5053 -85.6857 760879.7529 -18.8832 -18.9304 PRESSURE: 704800 -64.784 -31.0832 -12.9204 -31.0833 15.3802 -179.429 -12.9209 -179.427 -2.17356 GPRESSURE: 704800 -27.1401 -4.55497 -188.236 -15.4021 108.657 -139.956 51.2214 -185.575 -56.2088 PRESSAVG: 704800 -23.6073 -41.3069 23.7397 -41.3069 -0.937176 29.028 23.7397 29.0279 15.1884 GPRESSAVG: 704800 -23.8704 -40.1372 22.9958 -42.6115 -0.95634 30.2917 22.457 29.4425 15.4275 TIMING: 704800 CPU: 2288.45, 0.00318584/step Wall: 2288.45, 0.00318584/step, 3.80106 hours remaining, 232.238281 MB of memory in use. ENERGY: 704800 3931.0971 20571.3163 14433.3520 263.3591 -203786.1357 2769.6293 0.0000 0.0000 51890.4433 -109926.9388 298.2151 -161817.3820 -109564.7986 297.9794 -17.1925 8.4359 760258.4444 -3.1187 -3.1331 PRESSURE: 705000 -58.173 -50.374 88.6649 -50.3734 219.481 195.203 88.6642 195.203 -101.783 GPRESSURE: 705000 -54.3429 -132.465 138.124 -132.694 293.01 62.6437 23.9566 106.934 -89.0884 PRESSAVG: 705000 -67.9441 -46.2343 3.14299 -46.2343 98.1303 -13.9478 3.14295 -13.9478 6.40012 GPRESSAVG: 705000 -67.2202 -48.3345 4.63251 -45.0624 98.6934 -14.4009 3.2708 -12.226 5.14655 TIMING: 705000 CPU: 2289.1, 0.00321064/step Wall: 2289.1, 0.00321064/step, 3.83047 hours remaining, 232.238281 MB of memory in use. ENERGY: 705000 4020.4368 20405.7164 14409.7151 248.9303 -203147.9946 2526.0333 0.0000 0.0000 51802.5075 -109734.6552 297.7097 -161537.1627 -109366.0013 298.5097 19.8418 49.8596 761091.5256 12.1955 12.2066 PRESSURE: 705200 221.752 -100.894 -2.06676 -100.894 -111.965 85.5449 -2.0676 85.5455 339.808 GPRESSURE: 705200 334.854 -76.0993 43.6592 -101.949 -92.0152 192.577 -80.6551 -0.821614 287.338 PRESSAVG: 705200 -39.0424 -74.1543 -19.0014 -74.1543 15.6128 34.3252 -19.0014 34.3252 2.64703 GPRESSAVG: 705200 -38.2691 -74.9163 -20.5965 -73.78 15.6904 34.05 -19.7053 33.4 2.34094 TIMING: 705200 CPU: 2289.74, 0.00320116/step Wall: 2289.74, 0.00320116/step, 3.81898 hours remaining, 232.238281 MB of memory in use. ENERGY: 705200 3921.6377 20495.8245 14454.6607 262.3475 -203462.5508 2724.5717 0.0000 0.0000 52202.0943 -109401.4145 300.0062 -161603.5088 -109050.1768 298.7384 149.8652 176.7258 761166.0373 -6.9275 -6.7459 PRESSURE: 705400 356.426 -87.2253 109.292 -87.2257 -79.9338 62.2703 109.292 62.2696 -103.523 GPRESSURE: 705400 301.431 -58.049 129.473 -110.042 -50.1004 20.4796 174.7 30.1214 -15.138 PRESSAVG: 705400 -30.7229 -29.0564 -14.9682 -29.0563 -1.3268 -2.34201 -14.9682 -2.34194 -22.1599 GPRESSAVG: 705400 -31.7516 -29.4123 -16.6427 -28.9352 -1.1899 -0.968648 -12.2132 -2.74121 -21.7427 TIMING: 705400 CPU: 2290.37, 0.00319112/step Wall: 2290.37, 0.00319112/step, 3.80683 hours remaining, 232.238281 MB of memory in use. ENERGY: 705400 3954.5812 20443.8223 14461.1245 272.1713 -203331.0815 2485.7061 0.0000 0.0000 52336.0934 -109377.5827 300.7762 -161713.6761 -109015.4625 299.7901 57.6563 78.7310 762340.6366 -18.0699 -18.2281 PRESSURE: 705600 32.056 -51.5423 -61.5446 -51.5418 -310.01 163.449 -61.5444 163.448 111.372 GPRESSURE: 705600 51.8791 -15.1136 -41.7624 -67.1013 -253.416 164.093 -105.686 98.281 117.624 PRESSAVG: 705600 12.6451 -24.4639 11.5492 -24.4639 23.1491 -2.39265 11.5493 -2.39256 19.203 GPRESSAVG: 705600 12.5924 -22.7954 12.33 -24.5765 22.3512 -3.86527 11.0925 -2.30561 19.9385 TIMING: 705600 CPU: 2291.01, 0.00317689/step Wall: 2291.01, 0.00317689/step, 3.78968 hours remaining, 232.238281 MB of memory in use. ENERGY: 705600 3978.7842 20600.2029 14488.3921 263.8034 -203195.8087 2445.9303 0.0000 0.0000 52203.9321 -109214.7637 300.0167 -161418.6958 -108850.2671 299.8247 -55.5273 -27.9711 760158.9061 18.3324 18.2940 PRESSURE: 705800 -23.19 45.7838 35.2228 45.7836 94.2253 268.336 35.2225 268.337 289.904 GPRESSURE: 705800 22.8102 15.4553 162.887 -5.59546 196.018 321.769 49.7843 211.727 247.979 PRESSAVG: 705800 -31.6961 -69.1 14.9501 -69.0999 32.1001 39.8192 14.9501 39.8193 -9.3049 GPRESSAVG: 705800 -31.0183 -70.9936 17.3092 -68.6426 31.4489 39.8713 12.9125 40.1994 -9.45641 TIMING: 705800 CPU: 2291.65, 0.00320436/step Wall: 2291.65, 0.00320436/step, 3.82227 hours remaining, 232.238281 MB of memory in use. ENERGY: 705800 3952.1439 20479.6164 14519.2013 269.1130 -203510.3671 3011.7340 0.0000 0.0000 52115.3747 -109163.1838 299.5078 -161278.5585 -108809.7472 300.0494 120.3133 155.6022 761279.7087 -2.9670 -3.0086 PRESSURE: 706000 88.095 -77.0024 -18.0822 -77.0033 208.58 39.908 -18.0817 39.9077 146.307 GPRESSURE: 706000 111.735 -57.8156 42.0998 -59.0191 199.018 -11.5049 -183.738 87.9868 216.048 PRESSAVG: 706000 -34.5482 -35.6094 -53.1579 -35.6094 18.5685 59.4582 -53.1578 59.4582 4.44515 GPRESSAVG: 706000 -34.3359 -35.8898 -53.6867 -36.079 18.8807 60.81 -53.7984 57.1257 3.53024 TIMING: 706000 CPU: 2292.29, 0.00317124/step Wall: 2292.29, 0.00317124/step, 3.78258 hours remaining, 232.238281 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: 706000 3959.4765 20354.8051 14458.7636 230.7119 -202917.7595 2361.6068 0.0000 0.0000 52247.7099 -109304.6857 300.2683 -161552.3956 -108947.2979 299.2882 147.6606 175.6005 761694.6071 -3.8449 -3.9750 PRESSURE: 706200 -67.8186 -70.1495 18.5755 -70.1491 98.4214 -178.751 18.5755 -178.75 19.5827 GPRESSURE: 706200 -22.9151 34.1237 29.3385 -194.836 172.233 -106.69 70.872 -90.6986 -11.4124 PRESSAVG: 706200 32.8359 -44.007 -4.12591 -44.007 -42.2991 20.7244 -4.12598 20.7243 -4.15989 GPRESSAVG: 706200 31.7251 -41.3602 -5.60842 -45.4413 -42.5797 20.3253 -3.12243 21.5525 -3.60769 TIMING: 706200 CPU: 2292.93, 0.00320297/step Wall: 2292.93, 0.00320297/step, 3.82026 hours remaining, 232.238281 MB of memory in use. ENERGY: 706200 4003.0037 20561.7241 14458.4387 246.4931 -203267.7074 2662.2599 0.0000 0.0000 52183.9564 -109151.8316 299.9019 -161335.7879 -108793.4341 299.7619 16.7285 45.9685 760069.6497 -4.5410 -4.8208 PRESSURE: 706400 -238.637 -209.453 -195.382 -209.453 -246.279 -346.637 -195.382 -346.637 244.292 GPRESSURE: 706400 -261.717 -113.216 -184.055 -4.06261 -193.521 -325.528 -113.965 -260.739 316.668 PRESSAVG: 706400 54.8344 -37.308 10.9354 -37.308 0.45936 1.60122 10.9354 1.60118 -7.20085 GPRESSAVG: 706400 55.5279 -37.9492 12.839 -35.0323 0.253302 1.51991 11.3271 1.84145 -8.08184 TIMING: 706400 CPU: 2293.57, 0.00319946/step Wall: 2293.57, 0.00319946/step, 3.81588 hours remaining, 232.238281 MB of memory in use. ENERGY: 706400 3956.3662 20625.2556 14398.6960 247.0270 -203022.8572 2380.1476 0.0000 0.0000 52307.1590 -109108.2058 300.6100 -161415.3647 -108745.6817 300.2773 -80.2080 -46.1899 760578.2308 16.0310 15.8998 PRESSURE: 706600 101.832 -139.984 -195.077 -139.983 251.302 -21.7918 -195.078 -21.7916 129.372 GPRESSURE: 706600 143.715 -57.9971 -212.146 -147.979 280.522 -49.9272 -156.222 80.356 134.363 PRESSAVG: 706600 22.2194 -26.8225 -27.9577 -26.8225 26.5093 -9.4904 -27.9577 -9.49045 -12.9486 GPRESSAVG: 706600 21.1453 -25.508 -28.3549 -28.0173 27.2221 -10.8949 -27.7387 -8.39327 -13.2118 TIMING: 706600 CPU: 2294.21, 0.00322943/step Wall: 2294.21, 0.00322943/step, 3.85145 hours remaining, 232.238281 MB of memory in use. ENERGY: 706600 3965.3480 20583.6979 14483.4258 239.2176 -203310.7660 2727.5548 0.0000 0.0000 52145.1559 -109166.3660 299.6789 -161311.5219 -108801.9632 299.4604 160.8352 186.2000 758765.3004 11.9267 11.7185 PRESSURE: 706800 -32.7253 -51.9697 269.044 -51.9701 32.4907 71.5987 269.043 71.5986 179.763 GPRESSURE: 706800 10.2686 -173.934 227.638 18.269 -10.9618 89.1046 279.82 132.111 263.012 PRESSAVG: 706800 -13.5822 -43.9202 -21.7593 -43.9202 -3.91184 -24.5277 -21.7593 -24.5277 6.37957 GPRESSAVG: 706800 -12.8214 -44.301 -23.1406 -43.3696 -4.56793 -22.9568 -21.5549 -24.8037 6.69583 TIMING: 706800 CPU: 2294.86, 0.00325012/step Wall: 2294.86, 0.00325012/step, 3.87595 hours remaining, 232.238281 MB of memory in use. ENERGY: 706800 3954.9586 20581.7829 14507.3016 236.8603 -203498.4550 2723.1309 0.0000 0.0000 52139.7531 -109354.6677 299.6479 -161494.4207 -108996.5904 300.0301 59.8429 87.4395 760617.4195 -3.7048 -3.5645 PRESSURE: 707000 291.924 -13.2165 212.252 -13.2165 113.613 -84.7065 212.252 -84.708 -307.866 GPRESSURE: 707000 231.67 7.65867 92.3103 -44.5674 177.086 -70.2446 329.529 -98.6001 -215.228 PRESSAVG: 707000 26.7094 -48.5076 44.7835 -48.5076 10.0225 -48.1005 44.7834 -48.1006 6.4608 GPRESSAVG: 707000 25.5981 -50.9038 44.4342 -47.2227 9.92488 -46.7557 43.9514 -51.5799 7.23709 TIMING: 707000 CPU: 2295.51, 0.00323505/step Wall: 2295.51, 0.00323505/step, 3.85779 hours remaining, 232.238281 MB of memory in use. ENERGY: 707000 3965.5686 20496.9404 14424.9476 250.6572 -203109.3045 2496.6583 0.0000 0.0000 52101.1478 -109373.3847 299.4260 -161474.5325 -109020.2728 299.2673 32.5572 64.5095 760592.0530 14.3976 14.2533 PRESSURE: 707200 76.792 -36.1686 139.689 -36.1686 57.8213 132.34 139.689 132.341 197.766 GPRESSURE: 707200 152.922 -66.3114 20.7661 -68.1412 61.7269 162.576 159.255 239.62 224.558 PRESSAVG: 707200 4.94667 -3.06829 29.9821 -3.06821 -44.6978 12.3853 29.982 12.3853 17.1147 GPRESSAVG: 707200 6.80611 -1.76267 29.1111 -3.33494 -45.6261 10.3709 30.8059 15.1747 16.2323 TIMING: 707200 CPU: 2296.15, 0.00318596/step Wall: 2296.15, 0.00318596/step, 3.79908 hours remaining, 232.238281 MB of memory in use. ENERGY: 707200 4004.5845 20433.3904 14484.7542 248.7543 -203659.2266 2693.0411 0.0000 0.0000 52103.0733 -109691.6287 299.4371 -161794.7020 -109331.8682 299.9496 110.7932 146.4024 758443.2674 -7.5455 -7.5292 PRESSURE: 707400 -494.352 -219.425 -141.288 -219.426 -120.964 -22.0467 -141.288 -22.0474 -131.57 GPRESSURE: 707400 -398.069 -219.489 -91.2754 -178.268 -138.954 -43.9974 -159.8 -48.3643 -119.348 PRESSAVG: 707400 -32.1866 -76.8714 -13.3813 -76.8714 13.542 -1.11103 -13.3812 -1.11102 -9.5328 GPRESSAVG: 707400 -32.8087 -77.3167 -11.117 -77.0805 14.1683 -1.31234 -14.1813 -1.44351 -9.01889 TIMING: 707400 CPU: 2296.78, 0.00318971/step Wall: 2296.78, 0.00318971/step, 3.80338 hours remaining, 232.238281 MB of memory in use. ENERGY: 707400 4041.0608 20415.8502 14529.5758 223.9060 -203639.0126 2481.0211 0.0000 0.0000 52200.0438 -109747.5548 299.9944 -161947.5986 -109381.3423 298.7169 -248.9619 -218.7907 760299.2561 -9.3925 -9.2198 PRESSURE: 707600 221.881 38.327 50.9924 38.3264 -198.707 -45.6145 50.9921 -45.6148 -339.64 GPRESSURE: 707600 222.079 -81.3401 65.8169 -108.535 -189.78 65.2098 3.82915 8.82276 -253.951 PRESSAVG: 707600 5.41086 -4.3548 -8.54066 -4.35476 46.6003 32.5878 -8.54064 32.5878 -13.7351 GPRESSAVG: 707600 5.35663 -5.23178 -10.1159 -6.72821 47.3415 33.3914 -7.39772 32.323 -14.7644 TIMING: 707600 CPU: 2297.42, 0.00320382/step Wall: 2297.42, 0.00320382/step, 3.82003 hours remaining, 232.238281 MB of memory in use. ENERGY: 707600 3958.7241 20357.2120 14492.6335 247.0568 -203573.4704 2556.6632 0.0000 0.0000 51968.6845 -109992.4964 298.6647 -161961.1809 -109627.3619 298.2741 -105.4888 -73.8841 759540.5884 12.7587 12.6446 PRESSURE: 707800 -358.208 -34.7972 -233.925 -34.7974 -159.456 1.27913 -233.926 1.27903 64.2174 GPRESSURE: 707800 -218.23 -0.708244 -220.933 -48.596 -180.326 15.1851 -222.991 103.08 16.3037 PRESSAVG: 707800 -11.9171 16.3359 -23.5088 16.3359 -0.524341 3.80215 -23.5088 3.80223 53.4126 GPRESSAVG: 707800 -11.0734 16.636 -22.3389 17.2046 -0.294403 2.64073 -24.6119 3.79094 52.4772 TIMING: 707800 CPU: 2298.07, 0.00320991/step Wall: 2298.07, 0.00320991/step, 3.82711 hours remaining, 232.238281 MB of memory in use. ENERGY: 707800 4003.7247 20392.1799 14559.6245 261.1240 -203588.2898 2512.8585 0.0000 0.0000 51958.0885 -109900.6898 298.6038 -161858.7783 -109532.5782 297.8528 -151.1486 -127.4174 761720.4934 13.6570 13.7031 PRESSURE: 708000 -246.358 -80.154 97.351 -80.1534 -32.2095 -30.3274 97.351 -30.3269 -161.742 GPRESSURE: 708000 -222.36 40.1263 147.987 -55.1682 -4.55229 7.19726 36.5589 21.1771 -121.8 PRESSAVG: 708000 5.10112 34.7668 -13.7596 34.7668 -38.169 23.4138 -13.7597 23.4138 -8.62076 GPRESSAVG: 708000 6.04371 35.4562 -13.8745 35.2347 -38.6477 23.2072 -11.2797 23.0763 -8.26474 TIMING: 708000 CPU: 2298.71, 0.00319397/step Wall: 2298.71, 0.00319398/step, 3.80793 hours remaining, 232.238281 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: 708000 4031.6340 20466.8016 14436.1334 257.8505 -203842.8675 2715.1660 0.0000 0.0000 51942.2307 -109993.0512 298.5127 -161935.2819 -109632.5234 298.1641 -146.7700 -116.2375 759635.8243 -13.8962 -13.6229 PRESSURE: 708200 26.7932 51.9526 15.1486 51.9527 31.7086 149.215 15.1478 149.215 212.781 GPRESSURE: 708200 -34.4796 -13.1243 51.3817 13.1229 109.703 171.161 -113.412 73.63 274.635 PRESSAVG: 708200 -3.04915 -24.1167 9.12337 -24.1167 11.6249 9.21856 9.1233 9.21854 -19.5041 GPRESSAVG: 708200 -4.50041 -26.8129 8.74536 -22.5874 11.3851 9.19524 6.83767 8.39109 -18.151 TIMING: 708200 CPU: 2299.34, 0.00317116/step Wall: 2299.34, 0.00317116/step, 3.78055 hours remaining, 232.238281 MB of memory in use. ENERGY: 708200 4024.2700 20500.2789 14440.2417 242.1966 -203842.3755 2774.1486 0.0000 0.0000 51906.3426 -109954.8973 298.3065 -161861.2399 -109578.1354 298.6037 90.4276 116.6197 759100.0739 -3.6428 -3.7555 LDB: ============= START OF LOAD BALANCING ============== 2311.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2311.76 LDB: =============== DONE WITH MIGRATION ================ 2311.77 LDB: ============= START OF LOAD BALANCING ============== 2312.09 LDB: Largest compute 7033 load 0.034593 is 17.7% of average load 0.195041 LDB: Average compute 0.004404 is 2.3% of average load 0.195041 LDB: TIME 2312.09 LOAD: AVG 0.195041 MAX 0.214097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.977 MB LDB: TIME 2312.09 LOAD: AVG 0.195041 MAX 0.214097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.18 MB LDB: TIME 2312.09 LOAD: AVG 0.195041 MAX 0.214097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.18 MB LDB: ============== END OF LOAD BALANCING =============== 2312.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2312.1 PRESSURE: 708400 -206.597 -146.187 -189.208 -146.186 114.351 -140.439 -189.209 -140.439 145.864 GPRESSURE: 708400 -146.663 -143.36 -164.226 -230.09 152.751 -67.3801 -197.076 -68.434 143.864 PRESSAVG: 708400 19.9224 6.11383 15.6034 6.11386 -33.1725 -2.2194 15.6034 -2.21933 16.7619 GPRESSAVG: 708400 20.7108 8.18116 14.2864 4.00887 -32.3742 -1.52557 15.2619 -2.4237 15.2559 TIMING: 708400 CPU: 2299.99, 0.00326511/step Wall: 2299.99, 0.00326511/step, 3.89237 hours remaining, 231.003906 MB of memory in use. ENERGY: 708400 3954.4553 20394.6457 14407.4962 247.6913 -203652.1956 2529.9707 0.0000 0.0000 52149.1873 -109968.7493 299.7021 -162117.9365 -109603.3504 298.4186 17.8723 49.9842 760402.6514 1.1706 1.1975 PRESSURE: 708600 28.003 -31.6663 -218.279 -31.6654 -0.583551 -61.6579 -218.279 -61.6573 -406.088 GPRESSURE: 708600 107.624 -79.9666 -198.28 -119.013 18.5176 -7.5775 -284.864 -181.837 -412.847 PRESSAVG: 708600 78.9497 -61.6379 -31.5634 -61.638 -69.8741 6.70412 -31.5633 6.70404 -20.8843 GPRESSAVG: 708600 77.7092 -60.2854 -29.1105 -63.11 -69.1987 7.17648 -33.0386 6.75609 -20.3573 TIMING: 708600 CPU: 2300.63, 0.00317353/step Wall: 2300.63, 0.00317353/step, 3.78302 hours remaining, 231.207031 MB of memory in use. ENERGY: 708600 3962.5703 20383.6266 14439.9932 257.8291 -203418.6506 2408.4632 0.0000 0.0000 52098.3875 -109867.7806 299.4101 -161966.1681 -109498.4102 299.1970 -126.2230 -95.5682 758891.3644 -3.9362 -3.9490 PRESSURE: 708800 -289.419 -149.161 113.507 -149.161 -309.121 92.3554 113.507 92.356 -69.064 GPRESSURE: 708800 -268.835 -179.032 187.788 -84.9654 -258.576 83.7504 162.19 69.6715 -69.4133 PRESSAVG: 708800 16.68 -1.89138 -49.6165 -1.89139 -12.9161 -4.60994 -49.6164 -4.61002 -15.0517 GPRESSAVG: 708800 17.2927 -3.95134 -51.505 -0.389379 -13.3153 -5.37867 -48.8591 -3.55942 -15.0835 TIMING: 708800 CPU: 2301.26, 0.00315602/step Wall: 2301.26, 0.00315602/step, 3.76198 hours remaining, 231.207031 MB of memory in use. ENERGY: 708800 4038.0447 20716.4432 14440.0094 229.3004 -203280.6941 2265.7579 0.0000 0.0000 51810.9220 -109780.2164 297.7581 -161591.1384 -109417.9908 298.6492 -222.5349 -198.9411 761563.1625 -3.7626 -3.7020 PRESSURE: 709000 531.703 203.288 35.0373 203.288 82.4087 -106.943 35.0369 -106.943 206.453 GPRESSURE: 709000 509.848 158.859 53.0342 -14.3676 155.819 -130.463 -16.042 -15.6568 229.581 PRESSAVG: 709000 30.3419 -22.6875 -29.4692 -22.6875 -8.1865 -6.27686 -29.4692 -6.27689 26.8159 GPRESSAVG: 709000 29.7613 -21.4279 -30.1795 -23.9011 -8.49922 -6.85057 -26.1918 -5.89144 27.1747 TIMING: 709000 CPU: 2301.89, 0.00314175/step Wall: 2301.89, 0.00314174/step, 3.74479 hours remaining, 231.207031 MB of memory in use. ENERGY: 709000 3893.6892 20543.8904 14457.6917 242.8634 -203718.6237 2725.5042 0.0000 0.0000 52229.7506 -109625.2342 300.1651 -161854.9848 -109251.0023 298.9080 273.5215 298.4160 759515.7024 16.3238 16.1456 PRESSURE: 709200 153.444 -85.1487 -220.259 -85.1488 -166.048 -132.215 -220.259 -132.215 -135.953 GPRESSURE: 709200 192.352 24.7479 -218.514 -45.5892 -174.8 -110.134 -113.8 -255.717 -71.7102 PRESSAVG: 709200 72.4965 0.365849 -51.258 0.365848 -68.4409 -4.89497 -51.258 -4.8949 14.6085 GPRESSAVG: 709200 72.6091 1.61108 -49.7399 1.37442 -68.0659 -4.54186 -54.6874 -4.22462 13.9458 TIMING: 709200 CPU: 2302.52, 0.00319048/step Wall: 2302.52, 0.00319048/step, 3.8027 hours remaining, 231.207031 MB of memory in use. ENERGY: 709200 3989.4076 20434.4017 14472.4977 240.5602 -203363.1491 2469.5952 0.0000 0.0000 52058.3133 -109698.3735 299.1798 -161756.6868 -109327.8153 299.1838 -49.5194 -18.0528 760889.6665 6.2214 6.1630 PRESSURE: 709400 394.495 -4.76225 64.1266 -4.76216 -145.025 -292.845 64.1273 -292.846 -84.3571 GPRESSURE: 709400 339.045 -5.3092 34.1472 4.78403 -15.9957 -370.84 22.3332 -265.054 -75.4144 PRESSAVG: 709400 9.47015 -2.83212 -5.19712 -2.83213 8.53655 -32.8664 -5.19722 -32.8663 -11.658 GPRESSAVG: 709400 9.21236 -3.99955 -4.88353 -3.20475 7.88915 -32.8064 -4.40137 -34.7502 -10.9439 TIMING: 709400 CPU: 2303.16, 0.00319903/step Wall: 2303.16, 0.00319903/step, 3.81271 hours remaining, 231.207031 MB of memory in use. ENERGY: 709400 3968.9894 20501.5155 14453.3315 253.6457 -203497.8075 2527.9190 0.0000 0.0000 51984.4468 -109807.9597 298.7553 -161792.4064 -109446.0636 298.6578 55.0375 82.5450 760181.0543 2.1163 2.0525 PRESSURE: 709600 45.9634 -144.732 11.848 -144.731 -0.321447 165.944 11.8477 165.942 122.191 GPRESSURE: 709600 139.676 -39.4783 24.9439 -116.426 -24.9867 230.891 -39.1093 183.786 149.348 PRESSAVG: 709600 27.7741 -17.948 -29.388 -17.948 -16.9828 -33.5425 -29.388 -33.5425 -9.41967 GPRESSAVG: 709600 27.1734 -16.9877 -28.5945 -16.9325 -15.2632 -33.1474 -29.5945 -33.7193 -10.3519 TIMING: 709600 CPU: 2303.8, 0.00319962/step Wall: 2303.8, 0.00319962/step, 3.81324 hours remaining, 231.207031 MB of memory in use. ENERGY: 709600 3921.6683 20673.0907 14454.9239 231.4752 -203144.5277 2443.5953 0.0000 0.0000 51926.1289 -109493.6454 298.4202 -161419.7742 -109132.1931 298.5888 55.9444 88.0123 760689.0733 0.4572 0.5194 PRESSURE: 709800 2.65067 -368.306 29.455 -368.306 84.3666 -75.18 29.4552 -75.1798 -128.368 GPRESSURE: 709800 43.8917 -276.856 -27.509 -392.655 69.2833 -1.80942 -33.9051 -25.4965 -54.9519 PRESSAVG: 709800 -19.7403 -49.8665 -48.0515 -49.8665 1.43111 59.392 -48.0515 59.3919 7.36718 GPRESSAVG: 709800 -19.2943 -50.136 -49.0666 -49.3173 0.377827 60.5505 -45.2843 58.6484 7.90838 TIMING: 709800 CPU: 2304.44, 0.00316653/step Wall: 2304.44, 0.00316653/step, 3.77363 hours remaining, 231.207031 MB of memory in use. ENERGY: 709800 3986.7314 20381.5537 14452.4733 231.8577 -203453.0850 2684.0757 0.0000 0.0000 52156.9063 -109559.4868 299.7465 -161716.3932 -109194.5011 299.1822 -13.7836 19.4077 760493.2702 -3.6473 -3.6694 PRESSURE: 710000 -123.882 -32.6572 -108.208 -32.6568 60.4571 -129.922 -108.208 -129.921 163.017 GPRESSURE: 710000 -31.2987 -96.6977 -161.456 51.27 64.7841 -75.3002 -53.0559 -61.1622 168.761 PRESSAVG: 710000 8.11695 -68.8846 -4.9767 -68.8846 -63.4488 -47.896 -4.97674 -47.896 19.7336 GPRESSAVG: 710000 8.86238 -69.6284 -3.49802 -68.6817 -63.762 -48.3877 -7.36125 -45.0398 19.1558 TIMING: 710000 CPU: 2305.07, 0.00315508/step Wall: 2305.07, 0.00315508/step, 3.75981 hours remaining, 231.207031 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: 710000 3940.5739 20477.8166 14461.0085 241.1389 -203409.5180 2477.3055 0.0000 0.0000 52334.4496 -109477.2250 300.7668 -161811.6746 -109105.6125 299.6619 33.1971 67.4155 760796.9228 -11.8661 -11.9146 PRESSURE: 710200 -276.063 -120.968 98.3956 -120.968 355.955 133.281 98.3952 133.282 -52.392 GPRESSURE: 710200 -268.92 -68.7444 37.6078 -134.468 386.339 79.9371 33.8008 119.227 6.4938 PRESSAVG: 710200 12.5033 -29.3648 -54.9171 -29.3647 -8.80662 41.2513 -54.9172 41.2513 6.01288 GPRESSAVG: 710200 9.77826 -26.9582 -55.3651 -29.125 -7.03779 40.8622 -56.5198 41.2179 6.50308 TIMING: 710200 CPU: 2305.7, 0.00315906/step Wall: 2305.7, 0.00315906/step, 3.76437 hours remaining, 231.207031 MB of memory in use. ENERGY: 710200 3939.9014 20820.1720 14420.7988 238.3958 -202941.2684 2254.5277 0.0000 0.0000 51841.1177 -109426.3549 297.9316 -161267.4727 -109066.9871 299.3626 9.1665 41.3040 762369.9382 3.2365 3.0812 PRESSURE: 710400 140.382 226.04 5.3303 226.041 -87.6026 -15.5156 5.32981 -15.5156 257.867 GPRESSURE: 710400 214.709 193.075 71.163 107.446 -83.4253 10.1628 21.747 56.3979 263.383 PRESSAVG: 710400 31.9926 -13.4589 -4.14406 -13.459 -32.7859 10.9317 -4.14406 10.9318 -17.9395 GPRESSAVG: 710400 33.4679 -16.4377 -3.75871 -14.3938 -33.9368 10.9418 -2.7145 8.64604 -18.5175 TIMING: 710400 CPU: 2306.33, 0.00315009/step Wall: 2306.33, 0.00315009/step, 3.75351 hours remaining, 231.207031 MB of memory in use. ENERGY: 710400 4023.8758 20558.0796 14431.8000 230.5819 -203401.2473 2699.3351 0.0000 0.0000 52118.8743 -109338.7006 299.5279 -161457.5749 -108971.2172 299.5781 103.5488 131.5555 762783.6375 -6.2443 -6.3288 PRESSURE: 710600 -59.8946 10.1023 -127.942 10.1012 -139.613 -29.3136 -127.943 -29.3148 66.1015 GPRESSURE: 710600 -68.4947 10.6297 -154.265 39.2247 16.701 -75.9424 -69.7429 103.849 -13.9431 PRESSAVG: 710600 15.8153 24.9069 -36.3412 24.9069 -4.74778 41.6544 -36.3412 41.6544 -8.33235 GPRESSAVG: 710600 16.4114 27.041 -37.0403 25.1531 -5.65127 41.1984 -35.4304 43.8846 -8.17348 TIMING: 710600 CPU: 2306.96, 0.00315375/step Wall: 2306.96, 0.00315375/step, 3.75769 hours remaining, 231.207031 MB of memory in use. ENERGY: 710600 3980.6504 20710.5779 14350.0064 247.0028 -203529.9586 2566.4444 0.0000 0.0000 52112.8104 -109562.4662 299.4930 -161675.2766 -109199.9336 299.7691 -44.4687 -21.9123 760886.5021 0.9117 0.8622 PRESSURE: 710800 -94.1513 119.65 -44.5993 119.649 -47.7768 99.9054 -44.5998 99.9034 -127.822 GPRESSURE: 710800 -99.1556 62.2036 -52.0372 151.069 -33.5018 42.5699 79.3174 -7.2177 -63.292 PRESSAVG: 710800 56.4343 -7.94844 -56.8522 -7.94845 -7.56287 -40.7933 -56.8521 -40.7933 6.14437 GPRESSAVG: 710800 54.9427 -9.75504 -56.3958 -7.07352 -6.59037 -39.7202 -58.0835 -41.7521 7.54265 TIMING: 710800 CPU: 2307.6, 0.00317757/step Wall: 2307.6, 0.00317757/step, 3.7859 hours remaining, 231.207031 MB of memory in use. ENERGY: 710800 4024.1250 20481.6362 14330.7550 246.6257 -202884.0465 2173.5545 0.0000 0.0000 52231.9184 -109395.4318 300.1776 -161627.3502 -109028.0713 299.5504 -89.9165 -65.3165 761452.1164 18.3386 18.6317 PRESSURE: 711000 -155.588 -113.571 -198.55 -113.572 -168.422 109.053 -198.549 109.053 -261.921 GPRESSURE: 711000 -163.376 -44.8905 -158.943 -90.3051 -47.3366 105.008 -290.173 82.3332 -283.522 PRESSAVG: 711000 4.19887 1.30368 8.40703 1.30368 -41.8501 9.43771 8.40699 9.4377 5.20874 GPRESSAVG: 711000 4.88581 3.76389 8.0136 1.45616 -41.5032 8.3214 5.52714 8.55357 4.4306 TIMING: 711000 CPU: 2308.24, 0.00319341/step Wall: 2308.24, 0.00319341/step, 3.8046 hours remaining, 231.207031 MB of memory in use. ENERGY: 711000 4062.8417 20753.2415 14496.3340 236.8491 -203609.6754 2704.6885 0.0000 0.0000 51988.7040 -109367.0165 298.7798 -161355.7205 -109010.2069 300.0958 -195.3101 -164.7448 759689.8445 -10.8142 -10.7289 PRESSURE: 711200 -74.5825 216.767 -275.555 216.766 -246.862 -73.6679 -275.555 -73.6677 -119.366 GPRESSURE: 711200 -1.06648 163.956 -304.986 244.837 -216.485 -89.3485 -231.031 -27.2623 -116.014 PRESSAVG: 711200 38.0217 -11.4172 -32.3758 -11.4172 8.5804 -45.5609 -32.3759 -45.5608 -25.5572 GPRESSAVG: 711200 38.98 -12.4667 -31.7232 -11.7217 7.4194 -46.0963 -30.6662 -43.634 -25.6411 TIMING: 711200 CPU: 2308.87, 0.00318555/step Wall: 2308.87, 0.00318555/step, 3.79505 hours remaining, 231.207031 MB of memory in use. ENERGY: 711200 4065.9137 20600.4863 14475.2960 242.0318 -203250.0467 2412.9237 0.0000 0.0000 52157.3810 -109296.0143 299.7492 -161453.3952 -108933.0325 299.9612 -146.9371 -111.1884 760499.6879 7.0150 6.9194 PRESSURE: 711400 -74.6842 -64.3056 -22.2776 -64.3042 -211.986 122.045 -22.2775 122.046 355.052 GPRESSURE: 711400 -31.6557 23.883 -41.7567 -85.9774 -198.596 41.4911 -97.0904 126.135 381.459 PRESSAVG: 711400 27.7779 26.4191 0.587486 26.4191 -48.2771 35.3586 0.587547 35.3586 29.1986 GPRESSAVG: 711400 28.6183 26.6145 -1.77788 27.874 -49.4639 36.3448 2.35873 32.4271 29.5452 TIMING: 711400 CPU: 2309.51, 0.00317942/step Wall: 2309.51, 0.00317942/step, 3.78757 hours remaining, 231.207031 MB of memory in use. ENERGY: 711400 4105.1815 20620.4945 14399.6615 213.2730 -203647.8846 2830.4443 0.0000 0.0000 52156.4199 -109322.4099 299.7437 -161478.8298 -108961.4209 299.7292 22.7942 50.4023 761566.1130 2.8998 2.8998 PRESSURE: 711600 -296.003 -44.807 -109.968 -44.807 -345.695 -48.5108 -109.968 -48.5091 -414.145 GPRESSURE: 711600 -328.592 -93.7358 -57.4385 27.9119 -241.83 -88.8126 -148.685 39.2014 -384.336 PRESSAVG: 711600 43.7051 -2.99408 -9.21909 -2.99409 -17.9968 52.0939 -9.21913 52.0939 -2.12778 GPRESSAVG: 711600 42.2256 -2.50486 -7.51578 -3.77339 -16.8337 50.4172 -10.6957 54.9255 -1.83856 TIMING: 711600 CPU: 2310.14, 0.00315667/step Wall: 2310.14, 0.00315667/step, 3.7603 hours remaining, 231.207031 MB of memory in use. ENERGY: 711600 4089.2536 20611.9880 14471.4613 250.6825 -203441.1577 2453.6911 0.0000 0.0000 52175.9741 -109388.1070 299.8560 -161564.0811 -109022.4541 300.3469 -351.9478 -318.2526 761098.7096 7.8602 7.8511 PRESSURE: 711800 -136.96 107.615 -75.9966 107.615 -163.402 -78.8182 -75.9957 -78.8174 -31.4873 GPRESSURE: 711800 -109.682 -47.7845 -61.9622 8.40247 -98.543 -38.0621 -102.96 -52.03 -30.1167 PRESSAVG: 711800 -4.86968 -31.7028 -28.2821 -31.7028 36.0613 -12.0755 -28.2821 -12.0755 -32.4578 GPRESSAVG: 711800 -4.14056 -34.0498 -28.371 -33.9354 36.9667 -11.2825 -27.744 -10.8358 -33.9496 TIMING: 711800 CPU: 2310.78, 0.00322191/step Wall: 2310.78, 0.00322191/step, 3.83783 hours remaining, 231.207031 MB of memory in use. ENERGY: 711800 3939.1840 20406.3225 14463.5822 249.7247 -203175.0141 2586.1836 0.0000 0.0000 52079.8570 -109450.1601 299.3037 -161530.0171 -109083.0634 299.9773 -110.6165 -79.4473 760904.8365 -0.4221 -0.3745 PRESSURE: 712000 187.029 -133.323 108.178 -133.324 -118.868 113.132 108.177 113.132 287.736 GPRESSURE: 712000 107.538 -31.676 84.9807 -168.877 -20.2082 66.6971 77.0462 53.1615 375.155 PRESSAVG: 712000 24.4202 -31.2816 -26.2102 -31.2816 -7.60885 12.4651 -26.2102 12.4651 -14.9924 GPRESSAVG: 712000 23.5673 -29.6779 -27.5547 -30.7386 -9.39479 13.1001 -27.4198 11.8441 -12.7453 TIMING: 712000 CPU: 2311.41, 0.00314629/step Wall: 2311.41, 0.00314629/step, 3.74758 hours remaining, 231.207031 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: 712000 4001.6157 20621.1372 14430.2507 264.8841 -203359.8046 2562.7468 0.0000 0.0000 52073.2442 -109405.9258 299.2657 -161479.1700 -109036.9337 299.3573 118.6325 154.1616 761087.8899 0.6063 0.4757 PRESSURE: 712200 175.524 -68.248 122.421 -68.2481 38.0091 158.154 122.42 158.153 -19.6354 GPRESSURE: 712200 320.785 -47.7455 142.806 -94.4242 45.8372 152.776 158.377 149.633 -84.162 PRESSAVG: 712200 42.2663 -33.8644 -56.8567 -33.8644 21.3048 1.75422 -56.8567 1.75419 -14.5678 GPRESSAVG: 712200 42.1052 -34.7165 -55.1105 -32.601 21.7952 2.45187 -56.3645 -1.54378 -15.7037 TIMING: 712200 CPU: 2312.04, 0.00315514/step Wall: 2312.04, 0.00315514/step, 3.75795 hours remaining, 231.207031 MB of memory in use. ENERGY: 712200 4001.6896 20482.2401 14324.2797 235.5992 -203178.8238 2559.1826 0.0000 0.0000 52093.5604 -109482.2721 299.3824 -161575.8325 -109122.5676 299.6636 64.6326 94.1535 761263.5422 16.3344 16.0655 LDB: ============= START OF LOAD BALANCING ============== 2324.47 LDB: ============== END OF LOAD BALANCING =============== 2324.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2324.47 LDB: ============= START OF LOAD BALANCING ============== 2324.78 LDB: Largest compute 7025 load 0.034029 is 17.4% of average load 0.195059 LDB: Average compute 0.004395 is 2.3% of average load 0.195059 LDB: TIME 2324.79 LOAD: AVG 0.195059 MAX 0.213406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.469 MB LDB: TIME 2324.79 LOAD: AVG 0.195059 MAX 0.213406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: TIME 2324.79 LOAD: AVG 0.195059 MAX 0.213406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: ============== END OF LOAD BALANCING =============== 2324.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2324.8 PRESSURE: 712400 -74.6533 -57.9635 30.4363 -57.9636 -147.265 146.219 30.4361 146.22 -184.99 GPRESSURE: 712400 -62.3686 -19.2146 44.0284 -29.3222 -51.2159 141.303 33.4977 345.698 -208.722 PRESSAVG: 712400 19.5312 10.7468 -23.6417 10.7467 22.9257 18.2649 -23.6418 18.2649 -9.96902 GPRESSAVG: 712400 19.7514 9.37565 -24.5628 10.9639 23.69 18.1201 -22.4713 20.6718 -11.1826 TIMING: 712400 CPU: 2312.69, 0.00322556/step Wall: 2312.69, 0.00322556/step, 3.84164 hours remaining, 232.152344 MB of memory in use. ENERGY: 712400 4028.7127 20520.5046 14387.7616 254.7237 -203051.6854 2299.6218 0.0000 0.0000 52082.6446 -109477.7163 299.3197 -161560.3609 -109117.1150 299.0180 -135.6361 -107.4354 760707.2705 10.8293 10.7529 PRESSURE: 712600 -208.987 -132.858 -120.242 -132.858 -245.234 148.764 -120.242 148.764 -26.798 GPRESSURE: 712600 -142.924 -58.6019 -183.594 -101.435 -193.142 144.522 -172.549 143.46 -49.2627 PRESSAVG: 712600 -10.122 -49.8242 32.4196 -49.8242 1.52362 80.4055 32.4196 80.4055 1.45389 GPRESSAVG: 712600 -11.2485 -49.0267 33.7121 -50.7972 2.37246 80.5148 30.5768 81.225 2.25263 TIMING: 712600 CPU: 2313.32, 0.00317345/step Wall: 2313.32, 0.00317345/step, 3.7794 hours remaining, 232.222656 MB of memory in use. ENERGY: 712600 4015.4543 20347.3468 14387.9985 243.1595 -202796.5001 2098.4407 0.0000 0.0000 52052.2130 -109651.8873 299.1448 -161704.1003 -109279.6720 298.9880 -160.3397 -128.4429 759345.4795 -2.3815 -2.2078 PRESSURE: 712800 256.963 -48.6152 296.807 -48.6146 61.589 144.951 296.808 144.951 381.002 GPRESSURE: 712800 402.649 -61.8741 262.66 40.7264 108.142 227.262 306.489 200.305 275.119 PRESSAVG: 712800 85.1166 -37.9937 -29.7562 -37.9937 -38.2366 18.1338 -29.7563 18.1338 14.9189 GPRESSAVG: 712800 85.4814 -34.8315 -31.0694 -38.0718 -38.5724 17.8207 -27.9725 17.4409 14.6358 TIMING: 712800 CPU: 2313.96, 0.00315873/step Wall: 2313.96, 0.00315873/step, 3.76169 hours remaining, 232.292969 MB of memory in use. ENERGY: 712800 3957.0457 20313.1329 14437.6553 247.2008 -203498.2647 2873.6367 0.0000 0.0000 51955.8771 -109713.7161 298.5911 -161669.5932 -109356.9502 298.4083 233.1846 261.9700 761957.7425 20.5996 20.5149 PRESSURE: 713000 -59.9839 146.267 59.4521 146.268 -195.587 -76.8721 59.4524 -76.8717 156.568 GPRESSURE: 713000 -144.88 204.655 -66.5794 54.7159 -120.826 -134.887 1.16632 -196.862 229.64 PRESSAVG: 713000 43.3289 -19.9732 -60.1528 -19.9732 4.10993 4.92241 -60.1528 4.9224 6.16563 GPRESSAVG: 713000 43.663 -24.7374 -59.7691 -20.3945 3.99322 4.94698 -60.9044 5.62622 5.73575 TIMING: 713000 CPU: 2314.59, 0.00318452/step Wall: 2314.59, 0.00318452/step, 3.79224 hours remaining, 232.292969 MB of memory in use. ENERGY: 713000 4042.1121 20365.7383 14427.5791 254.2063 -203332.8649 2644.6530 0.0000 0.0000 52062.2356 -109536.3406 299.2024 -161598.5762 -109171.4817 298.6773 -33.0009 -12.0219 761482.4122 17.8682 17.7973 PRESSURE: 713200 -248.58 -231.303 -157.31 -231.302 68.6799 16.0474 -157.309 16.0479 302.388 GPRESSURE: 713200 -192.311 -267.737 -173.229 -194.988 56.6192 -73.9087 -139.552 -10.3443 332.881 PRESSAVG: 713200 -11.3303 11.9565 1.09228 11.9565 -23.476 1.31293 1.09229 1.31297 -7.23641 GPRESSAVG: 713200 -11.1949 13.1428 0.710224 12.505 -23.3351 0.5596 1.29308 1.99559 -7.22498 TIMING: 713200 CPU: 2315.23, 0.00320332/step Wall: 2315.23, 0.00320332/step, 3.81444 hours remaining, 232.292969 MB of memory in use. ENERGY: 713200 3951.3254 20442.4503 14362.7910 232.0139 -203190.5437 2525.7618 0.0000 0.0000 52194.6504 -109481.5509 299.9634 -161676.2013 -109115.3165 298.8905 40.8292 65.7299 762077.7902 -14.0142 -13.9183 PRESSURE: 713400 145.293 146.415 249.912 146.414 301.344 180.819 249.911 180.819 84.2178 GPRESSURE: 713400 187.926 56.6468 200.983 69.0866 384.384 198.332 235.849 127.012 16.4116 PRESSAVG: 713400 -3.75962 -7.59267 35.3791 -7.59274 35.0957 41.3861 35.3791 41.3862 2.96752 GPRESSAVG: 713400 -4.64084 -7.43062 36.4077 -6.2735 36.5813 42.4429 34.0496 39.2462 2.39919 TIMING: 713400 CPU: 2315.86, 0.00315321/step Wall: 2315.86, 0.00315321/step, 3.7546 hours remaining, 232.292969 MB of memory in use. ENERGY: 713400 4035.8002 20451.6599 14443.3513 250.1387 -203364.1372 2796.2501 0.0000 0.0000 51901.5804 -109485.3566 298.2791 -161386.9369 -109128.4252 298.6549 176.9519 196.2406 761171.2948 11.4345 11.4465 PRESSURE: 713600 -103.59 25.0481 -8.16794 25.0487 -220.063 -13.0524 -8.16795 -13.0524 -205.754 GPRESSURE: 713600 -13.4757 -53.5064 -47.482 175.88 -177.097 25.4578 59.9181 -116.258 -269.557 PRESSAVG: 713600 31.7848 -31.068 13.798 -31.068 -16.9379 -2.213 13.798 -2.21292 -10.9786 GPRESSAVG: 713600 31.6107 -30.8016 14.6615 -30.5139 -17.8684 -4.71074 13.7235 -1.20469 -9.27303 TIMING: 713600 CPU: 2316.49, 0.00314419/step Wall: 2316.49, 0.00314419/step, 3.74368 hours remaining, 232.292969 MB of memory in use. ENERGY: 713600 4003.3636 20396.6241 14519.1074 239.8706 -203064.4646 2405.3563 0.0000 0.0000 51938.8371 -109561.3055 298.4932 -161500.1426 -109191.9255 299.0649 -176.4690 -153.3764 761978.5848 1.2894 1.4898 PRESSURE: 713800 307.928 -77.0352 -127.902 -77.0353 -102.921 273.541 -127.903 273.54 185.401 GPRESSURE: 713800 239.404 13.1296 -181.104 -46.4597 25.0968 247.653 -101.587 224.134 220.758 PRESSAVG: 713800 47.549 -30.8861 14.4635 -30.886 -67.2369 44.2877 14.4635 44.2877 -17.7754 GPRESSAVG: 713800 48.1674 -32.302 13.046 -32.3065 -66.2719 45.6304 13.428 43.0439 -18.3744 TIMING: 713800 CPU: 2317.13, 0.00316932/step Wall: 2317.13, 0.00316932/step, 3.77342 hours remaining, 232.292969 MB of memory in use. ENERGY: 713800 3945.4006 20327.1752 14411.0855 225.4155 -203010.8559 2611.3357 0.0000 0.0000 51941.3020 -109549.1415 298.5074 -161490.4435 -109182.6941 298.8237 130.1356 161.7529 763028.5947 -12.4878 -12.1596 PRESSURE: 714000 172.803 182.839 138.031 182.838 -11.2579 91.2622 138.03 91.2624 157.239 GPRESSURE: 714000 135.717 118.104 192.033 131.142 51.6637 75.443 96.4556 186.703 202.036 PRESSAVG: 714000 35.2845 -16.9086 -3.49959 -16.9086 -14.0201 -25.106 -3.49958 -25.106 -17.0415 GPRESSAVG: 714000 36.3057 -15.6016 -3.41493 -17.6402 -16.5459 -23.5563 -0.636332 -23.4712 -15.8214 TIMING: 714000 CPU: 2317.76, 0.00317193/step Wall: 2317.76, 0.00317193/step, 3.77636 hours remaining, 232.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 714000 4028.7665 20474.1874 14477.9687 242.5532 -203280.2436 2623.5776 0.0000 0.0000 52089.0869 -109344.1033 299.3567 -161433.1902 -108985.4050 299.0308 106.2612 129.8055 762321.8347 1.4076 1.3128 PRESSURE: 714200 28.1685 274.988 135.536 274.987 109.017 165.211 135.537 165.211 -203.418 GPRESSURE: 714200 71.3164 153.764 90.9458 333.197 78.7101 130.1 77.14 157.011 -135.559 PRESSAVG: 714200 78.585 -53.9527 1.49064 -53.9527 -34.6581 36.353 1.49059 36.3529 -0.829507 GPRESSAVG: 714200 78.4306 -55.4459 0.623008 -56.1447 -32.8336 34.5467 1.52233 34.6141 -2.7615 TIMING: 714200 CPU: 2318.4, 0.00318272/step Wall: 2318.4, 0.00318272/step, 3.78902 hours remaining, 232.292969 MB of memory in use. ENERGY: 714200 3996.1849 20410.7289 14424.7748 250.2936 -203302.5677 2579.9299 0.0000 0.0000 52089.2293 -109551.4263 299.3575 -161640.6556 -109189.0081 299.5877 -22.0774 4.8223 761557.3820 14.3658 14.2785 PRESSURE: 714400 116.051 -168.563 167.829 -168.562 -2.28055 376.35 167.829 376.351 170.381 GPRESSURE: 714400 219.988 -194.753 260.98 -46.5878 24.5553 402.383 181.59 307.674 128.491 PRESSAVG: 714400 59.3513 -12.1318 -1.36602 -12.1317 -28.0511 21.8619 -1.36601 21.8619 2.41136 GPRESSAVG: 714400 60.0992 -12.5734 -1.24137 -10.5687 -29.1828 23.311 -0.664005 22.3948 2.0586 TIMING: 714400 CPU: 2319.04, 0.0032135/step Wall: 2319.04, 0.0032135/step, 3.82549 hours remaining, 232.292969 MB of memory in use. ENERGY: 714400 4002.9254 20291.0550 14450.4766 237.3474 -203439.1066 2802.8027 0.0000 0.0000 52100.8658 -109553.6337 299.4244 -161654.4995 -109197.5301 299.4377 94.7171 124.3447 762568.6821 11.2372 10.9917 PRESSURE: 714600 -132.762 -96.7572 73.5444 -96.7577 -357.273 -30.6806 73.5443 -30.6798 -126.901 GPRESSURE: 714600 -74.0542 -167.055 0.459808 -98.1264 -269.092 -3.6037 35.0752 -61.2805 -159.981 PRESSAVG: 714600 16.6242 -55.5682 -20.2783 -55.5683 -56.8757 27.3812 -20.2784 27.3811 -1.52705 GPRESSAVG: 714600 15.9867 -55.7898 -19.2347 -54.377 -55.3266 26.2608 -21.1657 28.2399 -2.186 TIMING: 714600 CPU: 2319.68, 0.00318951/step Wall: 2319.68, 0.00318951/step, 3.79676 hours remaining, 232.292969 MB of memory in use. ENERGY: 714600 3930.7926 20474.7935 14474.5166 242.8738 -203497.0782 2882.7767 0.0000 0.0000 51935.2026 -109556.1223 298.4723 -161491.3250 -109202.8162 299.0184 -205.6457 -167.7090 763699.8402 -13.9262 -13.8420 PRESSURE: 714800 116.665 -70.4091 -82.0349 -70.4087 187.407 -108.467 -82.0356 -108.466 520.718 GPRESSURE: 714800 172.594 -66.7176 -97.8124 73.8852 113.644 -169.252 -35.1283 -96.7769 615.759 PRESSAVG: 714800 4.84455 -45.6006 -53.1492 -45.6007 -31.9801 6.94534 -53.1492 6.94541 3.9621 GPRESSAVG: 714800 4.15996 -43.8317 -53.8794 -44.8127 -32.1993 7.51245 -52.5999 4.47386 5.2451 TIMING: 714800 CPU: 2320.31, 0.0031699/step Wall: 2320.31, 0.0031699/step, 3.77323 hours remaining, 232.292969 MB of memory in use. ENERGY: 714800 3854.5075 20501.5869 14469.0986 231.5752 -203458.1229 2451.0940 0.0000 0.0000 52248.8910 -109701.3696 300.2751 -161950.2606 -109328.6963 298.4251 274.9301 300.6657 761814.7412 -7.7245 -7.5981 PRESSURE: 715000 -116.772 41.4679 -160.043 41.4683 112.345 219.966 -160.043 219.965 -297.516 GPRESSURE: 715000 -34.5499 -32.1885 -81.2693 -53.5417 99.6817 170.576 -189.593 170.962 -274.882 PRESSAVG: 715000 -6.64947 -58.4437 -8.59449 -58.4437 50.204 21.3464 -8.5946 21.3465 19.7647 GPRESSAVG: 715000 -5.17241 -58.8464 -6.84096 -58.8652 50.151 18.5015 -10.1888 25.2202 19.155 TIMING: 715000 CPU: 2320.95, 0.00316939/step Wall: 2320.95, 0.00316939/step, 3.77246 hours remaining, 232.292969 MB of memory in use. ENERGY: 715000 4006.3511 20296.7431 14496.0748 243.8314 -203240.6327 2343.0717 0.0000 0.0000 51968.3309 -109886.2297 298.6627 -161854.5606 -109520.2359 298.3923 -100.6477 -69.9166 760901.5963 21.1064 21.3779 PRESSURE: 715200 -136.257 -304.08 -79.8511 -304.08 113.311 289.938 -79.851 289.939 119.93 GPRESSURE: 715200 -93.5561 -256.681 -70.6145 -286.385 101.753 271.937 -46.6107 202.629 163.133 PRESSAVG: 715200 10.0215 -44.8714 1.6996 -44.8713 -14.7354 65.3905 1.6997 65.3905 14.5995 GPRESSAVG: 715200 10.9629 -44.8613 -0.281183 -46.2911 -15.9711 67.1927 4.9973 63.9028 14.766 TIMING: 715200 CPU: 2321.58, 0.00316544/step Wall: 2321.58, 0.00316544/step, 3.76758 hours remaining, 232.292969 MB of memory in use. ENERGY: 715200 3997.6522 20470.5918 14467.1235 242.1172 -203838.8597 2858.5192 0.0000 0.0000 51792.9211 -110009.9347 297.6546 -161802.8558 -109643.4754 298.1826 32.3279 57.1099 759145.5725 3.2952 3.2526 PRESSURE: 715400 254.882 30.6392 -96.4639 30.6386 533.812 -57.361 -96.4644 -57.3604 210.204 GPRESSURE: 715400 370.484 85.8532 -120.987 -30.2707 525.81 -59.9671 -264.788 -152.358 196.366 PRESSAVG: 715400 11.5957 -28.7992 -40.1061 -28.7992 26.5714 0.509503 -40.1061 0.509522 23.0803 GPRESSAVG: 715400 9.59828 -28.2165 -38.1412 -28.0777 28.427 1.80133 -42.0507 -1.21917 23.9675 TIMING: 715400 CPU: 2322.21, 0.0031759/step Wall: 2322.21, 0.0031759/step, 3.77985 hours remaining, 232.292969 MB of memory in use. ENERGY: 715400 4038.8330 20326.0355 14423.8461 236.8423 -204039.5543 3002.4756 0.0000 0.0000 51898.5490 -110112.9726 298.2617 -162011.5217 -109762.1189 297.8765 332.9661 364.2201 758886.4797 20.4158 20.6643 PRESSURE: 715600 -49.1855 -29.0058 9.52096 -29.0056 -181.959 -178.495 9.5204 -178.494 285.197 GPRESSURE: 715600 -31.0549 71.8861 -52.7137 35.1003 -88.9254 -174.298 13.3045 -150.822 266.156 PRESSAVG: 715600 84.162 15.8876 -38.8894 15.8876 -73.5662 -53.2651 -38.8894 -53.2651 1.92034 GPRESSAVG: 715600 85.4395 15.3756 -40.1339 15.7911 -73.2261 -53.8017 -41.9149 -53.4263 0.864078 TIMING: 715600 CPU: 2322.85, 0.00316618/step Wall: 2322.85, 0.00316618/step, 3.7681 hours remaining, 232.292969 MB of memory in use. ENERGY: 715600 3917.9783 20388.2074 14470.5486 236.4701 -203782.4515 2477.4613 0.0000 0.0000 52158.4048 -110133.3809 299.7551 -162291.7857 -109762.2873 297.8322 18.0175 48.7253 757978.7486 4.1721 4.3592 PRESSURE: 715800 -91.9988 143.692 35.8069 143.692 -156.813 -46.3906 35.807 -46.391 -186.603 GPRESSURE: 715800 -77.2379 -15.9313 31.8022 130.311 -100.522 8.8941 130.773 -111.855 -162.48 PRESSAVG: 715800 55.8008 57.5956 -67.4618 57.5956 -34.3686 -39.1498 -67.4618 -39.1498 -3.55802 GPRESSAVG: 715800 55.4069 58.4214 -68.0156 57.9657 -34.5665 -38.9243 -65.7855 -37.1574 -3.30503 TIMING: 715800 CPU: 2323.48, 0.00316294/step Wall: 2323.48, 0.00316294/step, 3.76407 hours remaining, 232.292969 MB of memory in use. ENERGY: 715800 3965.6561 20520.4081 14418.4344 247.1181 -203162.5375 2114.1462 0.0000 0.0000 51660.2144 -110236.5602 296.8920 -161896.7745 -109871.8118 298.1197 -145.1380 -113.4135 758688.9394 5.9581 5.8451 PRESSURE: 716000 -265.551 -21.8253 -47.6521 -21.8256 -467.278 106.934 -47.6525 106.934 -294.367 GPRESSURE: 716000 -221.889 -30.8707 -12.8623 10.4485 -485.694 242.363 -134.584 150.223 -238.204 PRESSAVG: 716000 7.39246 12.4153 -39.8297 12.4153 -32.0128 0.611117 -39.8297 0.611046 -9.53622 GPRESSAVG: 716000 7.12079 10.4367 -39.5544 14.0207 -32.99 1.64751 -38.666 -1.0279 -8.6862 TIMING: 716000 CPU: 2324.11, 0.00317059/step Wall: 2324.11, 0.00317058/step, 3.773 hours remaining, 232.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 716000 3977.4201 20454.5240 14512.5344 257.3127 -203360.3820 2153.7254 0.0000 0.0000 51926.0897 -110078.7757 298.4200 -162004.8654 -109720.2014 298.2576 -342.3987 -315.2625 760222.2908 -11.3855 -11.5185 PRESSURE: 716200 79.5128 193.197 39.6525 193.197 21.2356 92.3269 39.6525 92.3266 43.16 GPRESSURE: 716200 55.2447 228.517 54.2934 229.334 140.49 -10.6846 -28.6068 -101.649 9.01359 PRESSAVG: 716200 41.3701 -57.1814 -31.9482 -57.1814 -34.7852 -31.126 -31.9482 -31.126 16.5044 GPRESSAVG: 716200 39.8493 -54.8104 -30.7097 -58.3242 -34.427 -32.4367 -32.14 -31.4408 17.6124 TIMING: 716200 CPU: 2324.75, 0.00316734/step Wall: 2324.75, 0.00316734/step, 3.76896 hours remaining, 232.292969 MB of memory in use. ENERGY: 716200 3927.9370 20435.2217 14455.0225 258.0119 -203356.8423 2321.2920 0.0000 0.0000 51776.0022 -110183.3550 297.5574 -161959.3572 -109819.4694 297.9302 47.9695 68.2496 760513.8938 7.6965 7.6783 LDB: ============= START OF LOAD BALANCING ============== 2337.18 LDB: ============== END OF LOAD BALANCING =============== 2337.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2337.18 LDB: ============= START OF LOAD BALANCING ============== 2337.5 LDB: Largest compute 7058 load 0.034178 is 17.5% of average load 0.195140 LDB: Average compute 0.004389 is 2.2% of average load 0.195140 LDB: TIME 2337.51 LOAD: AVG 0.19514 MAX 0.213866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.414 MB LDB: TIME 2337.51 LOAD: AVG 0.19514 MAX 0.213866 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.418 MB LDB: TIME 2337.51 LOAD: AVG 0.19514 MAX 0.213866 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.418 MB LDB: ============== END OF LOAD BALANCING =============== 2337.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2337.51 PRESSURE: 716400 -211.007 35.365 -125.458 35.3653 -385.475 43.6637 -125.458 43.6637 -32.107 GPRESSURE: 716400 -221.165 100.971 -2.96711 -143.942 -216.879 66.5438 -19.1793 72.0316 -110.898 PRESSAVG: 716400 -37.4199 20.6244 -45.878 20.6244 9.01438 12.1696 -45.878 12.1694 5.00704 GPRESSAVG: 716400 -35.8549 20.4718 -45.3525 20.404 8.62659 12.7461 -44.799 13.4892 3.45627 TIMING: 716400 CPU: 2325.41, 0.00330296/step Wall: 2325.41, 0.00330296/step, 3.93015 hours remaining, 231.371094 MB of memory in use. ENERGY: 716400 3948.9713 20552.8310 14500.4762 238.2519 -203169.5793 2157.1616 0.0000 0.0000 51839.7574 -109932.1299 297.9238 -161771.8873 -109570.4453 298.1679 -209.5297 -182.9810 761085.3381 -7.7995 -7.9240 PRESSURE: 716600 225.254 -94.1559 -60.9723 -94.1564 -48.5553 -99.6522 -60.9723 -99.6531 -85.6347 GPRESSURE: 716600 221.451 52.665 -38.4513 -12.8778 -46.2858 -50.4213 -100.059 108.155 -15.2861 PRESSAVG: 716600 -6.3897 -24.4081 -30.0896 -24.408 18.6682 7.20447 -30.0896 7.20444 -4.05807 GPRESSAVG: 716600 -6.71436 -26.0006 -30.5766 -22.2962 17.8485 6.89519 -31.1194 9.01602 -3.08643 TIMING: 716600 CPU: 2326.05, 0.0031886/step Wall: 2326.05, 0.0031886/step, 3.7939 hours remaining, 231.574219 MB of memory in use. ENERGY: 716600 3951.7391 20546.0825 14430.0274 245.7126 -203808.3932 2592.9199 0.0000 0.0000 51917.2124 -110124.6992 298.3689 -162041.9116 -109761.6065 298.1995 30.3546 53.2929 759809.3233 2.7401 2.6826 PRESSURE: 716800 -205.827 37.1952 50.3166 37.1956 115.851 -112.315 50.3169 -112.315 -211.953 GPRESSURE: 716800 -100.479 52.6471 29.8108 27.4958 69.1245 -41.3489 43.4637 -235.742 -177.37 PRESSAVG: 716800 7.8971 -31.0671 -0.0625449 -31.0671 -61.3487 -14.4711 -0.0625713 -14.471 -12.8035 GPRESSAVG: 716800 7.84679 -30.0606 -0.722738 -35.1438 -60.348 -14.5025 0.635753 -15.7879 -13.1716 TIMING: 716800 CPU: 2326.69, 0.00319357/step Wall: 2326.69, 0.00319357/step, 3.79964 hours remaining, 231.574219 MB of memory in use. ENERGY: 716800 3966.6058 20477.1078 14422.9297 244.3898 -203593.7452 2550.8261 0.0000 0.0000 51994.4731 -109937.4130 298.8130 -161931.8861 -109581.2457 298.1886 -100.6430 -69.5749 761154.9621 -22.0851 -21.8910 PRESSURE: 717000 -97.2068 -88.4156 -281.192 -88.4162 -224.282 146.549 -281.192 146.548 -234.477 GPRESSURE: 717000 -33.6669 -172.736 -204.928 -93.3034 -119.651 172.423 -243.737 113.787 -321.858 PRESSAVG: 717000 -23.3392 -3.31118 20.4006 -3.31115 66.5087 8.4523 20.4005 8.45239 -16.7114 GPRESSAVG: 717000 -23.3261 -2.90087 22.6365 -2.36741 66.9036 10.6135 18.6874 7.20805 -17.021 TIMING: 717000 CPU: 2327.32, 0.00319053/step Wall: 2327.32, 0.00319053/step, 3.79584 hours remaining, 231.574219 MB of memory in use. ENERGY: 717000 3998.9021 20496.0717 14460.6390 251.0043 -203319.2947 2432.5702 0.0000 0.0000 51963.5463 -109716.5611 298.6352 -161680.1074 -109351.4307 298.8081 -185.3220 -158.3921 761569.0081 8.8194 8.8522 PRESSURE: 717200 -31.0496 94.7424 103.524 94.7423 -148.16 142.557 103.524 142.557 -76.1366 GPRESSURE: 717200 39.7152 189.596 143.727 78.6109 -206.826 112.041 39.9695 168.245 -22.7366 PRESSAVG: 717200 -2.04239 -21.4402 1.76835 -21.4401 -38.7708 -0.880358 1.76842 -0.880401 9.79427 GPRESSAVG: 717200 -2.25116 -22.1753 -0.380786 -20.6991 -38.1749 -3.92136 3.57008 0.930475 8.89537 TIMING: 717200 CPU: 2327.96, 0.00318592/step Wall: 2327.96, 0.00318592/step, 3.79018 hours remaining, 231.574219 MB of memory in use. ENERGY: 717200 4041.7226 20582.4305 14477.4606 270.4788 -203480.8005 2493.9650 0.0000 0.0000 51874.5007 -109740.2424 298.1235 -161614.7431 -109391.1909 298.7437 -85.1153 -63.2824 761125.5110 -10.3396 -10.5102 PRESSURE: 717400 6.42109 7.21284 60.3175 7.21271 38.8713 73.5435 60.3182 73.5447 -64.3167 GPRESSURE: 717400 79.4029 47.1117 -39.6936 -53.6938 3.29468 -102.234 -35.2435 205.658 -23.6352 PRESSAVG: 717400 18.9247 15.7359 -50.5413 15.7359 4.39786 17.111 -50.5413 17.111 1.784 GPRESSAVG: 717400 19.3235 16.0542 -51.6926 16.9606 3.12892 16.6561 -50.3289 17.0031 2.77243 TIMING: 717400 CPU: 2328.6, 0.00318392/step Wall: 2328.6, 0.00318392/step, 3.78762 hours remaining, 231.574219 MB of memory in use. ENERGY: 717400 3975.3678 20448.5333 14419.9072 262.0491 -203368.6845 2553.4689 0.0000 0.0000 52203.1170 -109506.2411 300.0120 -161709.3581 -109146.4712 299.3405 -6.3414 19.6875 760953.5134 8.3689 8.4083 PRESSURE: 717600 -95.6388 -64.9446 -23.2959 -64.9453 114.252 27.9599 -23.2955 27.9608 -314.168 GPRESSURE: 717600 18.5803 -28.9499 -35.7059 -62.2945 70.882 -4.7402 -162.908 135.579 -306.613 PRESSAVG: 717600 20.4936 -38.8879 -26.1616 -38.888 -6.34523 -68.3452 -26.1615 -68.3452 -5.3762 GPRESSAVG: 717600 20.4262 -38.5738 -25.5489 -41.1827 -5.68618 -67.7434 -25.6036 -67.7695 -5.83673 TIMING: 717600 CPU: 2329.23, 0.00314576/step Wall: 2329.23, 0.00314576/step, 3.74206 hours remaining, 231.574219 MB of memory in use. ENERGY: 717600 4007.3645 20592.0476 14485.7261 256.1388 -203429.6281 2478.8251 0.0000 0.0000 52071.8791 -109537.6468 299.2578 -161609.5259 -109173.9197 300.1231 -98.5182 -72.3837 761445.8978 2.9241 2.9678 PRESSURE: 717800 3.51191 205.279 -226.146 205.279 105.738 -241.778 -226.146 -241.778 117.467 GPRESSURE: 717800 56.5007 148.625 -95.4861 235.085 67.7539 -207.06 -184.934 -125.113 206.327 PRESSAVG: 717800 25.1008 -14.3174 -12.694 -14.3173 -32.4504 -4.91122 -12.6941 -4.91115 -3.30968 GPRESSAVG: 717800 24.1274 -14.7935 -12.0445 -13.4379 -32.0553 -3.41914 -15.2244 -8.53977 -2.8509 TIMING: 717800 CPU: 2329.86, 0.00314734/step Wall: 2329.86, 0.00314734/step, 3.74376 hours remaining, 231.574219 MB of memory in use. ENERGY: 717800 4028.6225 20429.8813 14507.1056 241.3888 -203532.7828 2525.5872 0.0000 0.0000 52235.8353 -109564.3620 300.2001 -161800.1974 -109203.4802 299.6987 75.5722 110.1937 760362.9039 -3.5531 -3.5929 PRESSURE: 718000 -86.904 -234.201 98.4113 -234.202 -514.397 -86.5448 98.4113 -86.5452 -123.744 GPRESSURE: 718000 -28.7949 -271.5 134.531 -252.521 -462.7 -88.9056 48.9153 -112.367 -142.145 PRESSAVG: 718000 18.7607 -22.5539 13.4539 -22.5539 -46.8779 -32.9943 13.4539 -32.9942 25.7951 GPRESSAVG: 718000 19.2236 -21.4843 13.615 -24.3417 -47.4049 -33.9277 14.5013 -30.176 25.9553 TIMING: 718000 CPU: 2330.49, 0.00315274/step Wall: 2330.49, 0.00315274/step, 3.75001 hours remaining, 231.574219 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: 718000 3985.7409 20486.3100 14542.3485 255.0657 -203648.5029 2562.3964 0.0000 0.0000 52191.8622 -109624.7792 299.9473 -161816.6414 -109273.4932 299.9331 -241.6816 -211.2133 759567.9696 -0.7740 -0.7420 PRESSURE: 718200 10.9991 -192.066 65.0537 -192.066 -68.2146 -179.314 65.0534 -179.314 170.698 GPRESSURE: 718200 82.7397 -149.319 -36.839 -32.5381 -19.7978 -121.37 10.0137 -101.493 130.568 PRESSAVG: 718200 65.8612 -16.4681 38.6609 -16.468 -54.2389 -72.4212 38.6608 -72.4212 -5.9508 GPRESSAVG: 718200 65.9237 -18.0141 37.818 -15.0255 -53.3597 -72.2012 38.7441 -72.8002 -6.9593 TIMING: 718200 CPU: 2331.12, 0.0031648/step Wall: 2331.12, 0.0031648/step, 3.76417 hours remaining, 231.574219 MB of memory in use. ENERGY: 718200 3981.1286 20399.6030 14554.8174 250.2563 -203486.4257 2379.6638 0.0000 0.0000 52382.5348 -109538.4219 301.0431 -161920.9567 -109170.7941 299.5568 37.8275 64.5032 761811.1056 1.8905 1.8682 PRESSURE: 718400 -92.6257 12.6754 -94.2449 12.6757 -10.9172 -163.86 -94.245 -163.861 49.6745 GPRESSURE: 718400 -41.6049 -7.97167 -86.8258 30.9316 34.4436 -105.307 -186.812 -145.244 38.8884 PRESSAVG: 718400 20.318 -69.5735 -16.6358 -69.5736 8.60965 -66.7166 -16.6358 -66.7167 -12.788 GPRESSAVG: 718400 20.0167 -67.5724 -16.3772 -71.3873 9.25799 -67.1134 -16.2884 -67.0738 -13.2525 TIMING: 718400 CPU: 2331.75, 0.00317608/step Wall: 2331.75, 0.00317608/step, 3.77742 hours remaining, 231.574219 MB of memory in use. ENERGY: 718400 4076.9314 20385.2444 14558.9886 274.8763 -203556.1490 2632.7521 0.0000 0.0000 52096.8965 -109530.4597 299.4016 -161627.3561 -109175.4807 299.6253 -17.9561 10.5757 761108.0429 5.3799 5.3407 PRESSURE: 718600 -165.603 2.46172 -256.849 2.46208 92.6677 -174.994 -256.848 -174.995 125.151 GPRESSURE: 718600 -37.0018 14.8732 -235.604 91.0751 58.4362 -178.677 -199.011 -159.27 81.3861 PRESSAVG: 718600 9.52121 -11.5994 8.77768 -11.5994 39.9694 -36.3756 8.77764 -36.3756 4.67416 GPRESSAVG: 718600 11.0522 -10.6646 8.08655 -10.9931 37.7273 -36.5514 10.8107 -36.0822 5.8198 TIMING: 718600 CPU: 2332.39, 0.00315762/step Wall: 2332.39, 0.00315762/step, 3.75529 hours remaining, 231.574219 MB of memory in use. ENERGY: 718600 3994.1206 20521.8484 14511.5397 246.2978 -203344.2234 2427.2498 0.0000 0.0000 52038.5820 -109604.5851 299.0664 -161643.1672 -109233.1081 299.3435 17.4052 34.2735 760469.8253 18.0549 18.1998 PRESSURE: 718800 -75.7877 -263.513 185.113 -263.513 56.4067 93.1933 185.112 93.1917 2.83547 GPRESSURE: 718800 -136.966 -200.205 217.864 -252.759 156.055 113.789 221.194 126.647 51.8302 PRESSAVG: 718800 26.7484 -45.5953 8.43106 -45.5954 -26.3303 -57.0868 8.43106 -57.0869 -4.81065 GPRESSAVG: 718800 26.432 -45.891 9.59409 -43.024 -25.5419 -56.4347 6.77558 -55.3983 -5.27228 TIMING: 718800 CPU: 2333.02, 0.00315237/step Wall: 2333.02, 0.00315237/step, 3.74886 hours remaining, 231.574219 MB of memory in use. ENERGY: 718800 3926.2464 20437.9809 14522.6674 241.6558 -203328.5401 2411.2044 0.0000 0.0000 51979.2635 -109809.5217 298.7255 -161788.7852 -109443.1292 298.9982 -5.5152 23.6395 760147.2970 -1.4642 -1.4607 PRESSURE: 719000 31.0975 -247.04 26.7148 -247.04 -346.22 -193.478 26.7154 -193.478 169.396 GPRESSURE: 719000 -64.1094 -220.003 22.5979 -140.84 -193.12 -171.089 53.2725 -184.078 180.367 PRESSAVG: 719000 94.7806 -24.9041 -11.1847 -24.9041 -39.1025 -50.8339 -11.1847 -50.834 19.6442 GPRESSAVG: 719000 95.232 -25.5821 -11.1349 -28.0688 -39.39 -50.8858 -10.4889 -52.7727 20.0522 TIMING: 719000 CPU: 2333.65, 0.00316278/step Wall: 2333.65, 0.00316278/step, 3.76107 hours remaining, 231.574219 MB of memory in use. ENERGY: 719000 4065.8097 20571.2447 14489.2186 251.9728 -203412.1280 2441.7317 0.0000 0.0000 51972.2962 -109619.8543 298.6855 -161592.1505 -109264.8754 298.7554 -48.5755 -25.6209 761809.2506 25.1074 25.2981 PRESSURE: 719200 276.06 -222.42 40.6083 -222.421 -70.4408 126.188 40.6078 126.189 -143.662 GPRESSURE: 719200 269.252 -166.599 122.595 -136.65 -6.23522 96.5506 -28.7824 72.2076 -117.366 PRESSAVG: 719200 1.56716 -2.67595 2.56127 -2.67593 -55.1251 -58.6766 2.56122 -58.6765 15.9632 GPRESSAVG: 719200 -0.285375 -3.28226 0.720934 -0.63736 -54.6725 -58.9844 3.73034 -58.2302 16.6994 TIMING: 719200 CPU: 2334.28, 0.00313654/step Wall: 2334.28, 0.00313654/step, 3.7297 hours remaining, 231.574219 MB of memory in use. ENERGY: 719200 4018.0988 20440.4606 14505.3230 257.6000 -203823.0518 2620.6016 0.0000 0.0000 52064.0318 -109916.9360 299.2127 -161980.9678 -109563.9808 298.8867 20.6527 48.5501 761935.5942 -12.5316 -12.7528 PRESSURE: 719400 -148.669 -214.599 -395.413 -214.599 -210.261 122.223 -395.413 122.223 -52.9931 GPRESSURE: 719400 -164.471 -149.426 -395.992 -181.054 -52.091 125.361 -223.758 76.846 -90.6735 PRESSAVG: 719400 68.3091 17.058 29.4238 17.058 -80.44 31.903 29.4239 31.903 -9.5342 GPRESSAVG: 719400 67.9143 17.0332 31.7225 17.3053 -81.0985 30.6945 28.1396 32.3139 -9.16461 TIMING: 719400 CPU: 2334.91, 0.00318119/step Wall: 2334.91, 0.00318119/step, 3.78262 hours remaining, 231.574219 MB of memory in use. ENERGY: 719400 4005.3475 20325.5149 14538.5297 248.1958 -203626.3387 2435.0702 0.0000 0.0000 51983.2909 -110090.3898 298.7487 -162073.6806 -109740.7501 298.3946 -137.3076 -102.4118 761465.1678 -7.2217 -7.4496 PRESSURE: 719600 95.8829 -172.658 68.2106 -172.658 -151.114 107.052 68.2106 107.052 314.484 GPRESSURE: 719600 150.762 -139.686 94.0568 -159.722 -103.018 94.1558 58.1773 64.5477 303.316 PRESSAVG: 719600 46.2218 -38.2731 -16.2352 -38.2731 6.97607 -28.9226 -16.2352 -28.9225 2.32612 GPRESSAVG: 719600 46.7754 -38.1683 -17.8328 -37.6434 7.43998 -26.977 -15.1053 -29.7308 1.58455 TIMING: 719600 CPU: 2335.54, 0.0031584/step Wall: 2335.54, 0.0031584/step, 3.75533 hours remaining, 231.574219 MB of memory in use. ENERGY: 719600 3929.8551 20415.8101 14543.2626 238.8788 -203717.8314 2679.7813 0.0000 0.0000 52016.5058 -109893.7377 298.9396 -161910.2435 -109527.7752 298.3706 86.4173 117.0202 759464.3162 18.5080 18.6000 PRESSURE: 719800 83.6183 -82.2156 136.389 -82.2155 -108.35 116.293 136.389 116.292 -295.421 GPRESSURE: 719800 150.441 -13.5604 138.273 -122.41 -113.694 93.3495 -74.259 109.064 -254.704 PRESSAVG: 719800 31.187 28.1903 -27.4384 28.1903 -40.8657 -8.81713 -27.4384 -8.81712 -9.99119 GPRESSAVG: 719800 31.3808 28.916 -25.7453 25.9795 -41.2613 -10.7031 -31.1453 -7.54068 -10.0152 TIMING: 719800 CPU: 2336.18, 0.00316919/step Wall: 2336.18, 0.00316919/step, 3.76799 hours remaining, 231.574219 MB of memory in use. ENERGY: 719800 3938.1297 20561.0115 14515.7272 224.9531 -203225.6117 2496.9236 0.0000 0.0000 51890.0582 -109598.8084 298.2129 -161488.8666 -109233.6299 298.9257 -106.7178 -72.6523 761164.5637 -6.5566 -6.6319 PRESSURE: 720000 6.31513 -47.788 -64.4324 -47.7884 -54.8629 45.4507 -64.4318 45.4517 -393.91 GPRESSURE: 720000 67.2035 81.4735 -53.6274 -146.432 -26.4939 -80.5734 6.27836 53.3571 -390.628 PRESSAVG: 720000 103.083 -0.322563 16.1047 -0.322598 -73.2488 31.8801 16.1046 31.8802 -5.46862 GPRESSAVG: 720000 102.627 -0.828229 15.6608 0.254043 -72.4975 32.8502 18.1163 32.3445 -5.77747 TIMING: 720000 CPU: 2336.81, 0.00318073/step Wall: 2336.81, 0.00318073/step, 3.78154 hours remaining, 231.574219 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: 720000 3980.5557 20471.6134 14534.2148 260.1385 -203428.7258 2527.7788 0.0000 0.0000 52195.5492 -109458.8753 299.9685 -161654.4245 -109096.2707 299.7112 -147.4861 -116.6396 759959.9677 8.1217 8.1172 PRESSURE: 720200 89.2862 177.403 166.974 177.403 37.0778 -132.544 166.975 -132.542 -206.571 GPRESSURE: 720200 156.989 175.613 229.285 151.533 56.9242 -146.926 242.049 -186.781 -234.277 PRESSAVG: 720200 47.149 25.2226 -41.6941 25.2226 -59.3935 -41.306 -41.6941 -41.306 -5.22484 GPRESSAVG: 720200 46.478 22.8534 -40.1553 26.0608 -59.0457 -42.212 -39.8761 -41.6458 -5.07755 TIMING: 720200 CPU: 2337.45, 0.00318868/step Wall: 2337.45, 0.00318868/step, 3.79081 hours remaining, 231.574219 MB of memory in use. ENERGY: 720200 3966.1062 20585.5883 14483.6209 240.8709 -203575.3707 2572.4800 0.0000 0.0000 52370.3890 -109356.3154 300.9733 -161726.7044 -109000.6118 300.2894 -26.7357 -6.7881 759818.5116 -5.8231 -5.8817 LDB: ============= START OF LOAD BALANCING ============== 2349.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2349.87 LDB: =============== DONE WITH MIGRATION ================ 2349.87 LDB: ============= START OF LOAD BALANCING ============== 2350.19 LDB: Largest compute 7058 load 0.033988 is 17.4% of average load 0.195081 LDB: Average compute 0.004385 is 2.2% of average load 0.195081 LDB: TIME 2350.19 LOAD: AVG 0.195081 MAX 0.212701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.617 MB LDB: TIME 2350.19 LOAD: AVG 0.195081 MAX 0.212701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.621 MB LDB: TIME 2350.19 LOAD: AVG 0.195081 MAX 0.212701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.621 MB LDB: ============== END OF LOAD BALANCING =============== 2350.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2350.2 PRESSURE: 720400 85.5103 -26.8354 -229.975 -26.8354 76.3302 -289.977 -229.974 -289.976 119.017 GPRESSURE: 720400 93.7805 28.9153 -253.911 12.7443 126.037 -127.474 -288.495 -276.59 131.667 PRESSAVG: 720400 -12.295 -12.114 -7.50759 -12.114 -17.2194 26.1456 -7.50757 26.1456 -21.1959 GPRESSAVG: 720400 -11.9454 -11.6055 -8.68028 -12.0557 -18.1231 28.4538 -7.68851 25.8119 -20.9441 TIMING: 720400 CPU: 2338.09, 0.00320759/step Wall: 2338.09, 0.00320759/step, 3.81311 hours remaining, 230.105469 MB of memory in use. ENERGY: 720400 3977.8576 20564.3995 14543.5674 257.5267 -203313.4759 2434.6329 0.0000 0.0000 52001.6825 -109533.8094 298.8544 -161535.4919 -109175.0440 299.9197 93.6192 117.1617 759314.8823 -16.9034 -17.0042 PRESSURE: 720600 22.5585 -97.206 284.47 -97.2067 -257.777 198.182 284.47 198.183 142.221 GPRESSURE: 720600 58.9655 -127.642 186.619 -90.376 -182.572 110.975 315.506 269.417 136.503 PRESSAVG: 720600 5.80303 -27.0324 10.2765 -27.0324 42.1175 -50.5547 10.2765 -50.5547 29.4216 GPRESSAVG: 720600 4.49095 -26.2995 10.1261 -27.0295 43.5425 -52.0163 9.66346 -50.2022 29.3036 TIMING: 720600 CPU: 2338.72, 0.00313643/step Wall: 2338.72, 0.00313643/step, 3.72835 hours remaining, 230.105469 MB of memory in use. ENERGY: 720600 4032.4589 20515.1597 14534.1693 244.7837 -203659.3592 2606.6019 0.0000 0.0000 52197.2487 -109528.9370 299.9783 -161726.1857 -109165.8562 299.3807 -30.9993 4.2987 760331.7247 25.7807 25.7790 PRESSURE: 720800 286.784 138.907 -68.2653 138.907 -55.5172 -63.1239 -68.2654 -63.1223 -176.985 GPRESSURE: 720800 355.362 24.0715 -42.1875 48.8097 -40.0555 -26.1144 -103.093 -10.881 -191.455 PRESSAVG: 720800 36.9281 -36.9808 -80.4921 -36.9808 16.4446 12.5687 -80.4922 12.5687 12.412 GPRESSAVG: 720800 37.5611 -39.206 -81.0611 -37.9643 16.2123 12.0426 -78.8329 11.0158 11.8929 TIMING: 720800 CPU: 2339.35, 0.00315583/step Wall: 2339.35, 0.00315582/step, 3.75122 hours remaining, 230.105469 MB of memory in use. ENERGY: 720800 3970.6546 20801.6632 14472.8815 247.3260 -203529.2693 2631.3300 0.0000 0.0000 51942.4685 -109462.9455 298.5141 -161405.4140 -109095.5904 299.5605 18.0937 41.2837 761383.3382 21.9282 21.8888 PRESSURE: 721000 590.139 -98.4363 49.9653 -98.4369 267.397 275.34 49.966 275.341 549.944 GPRESSURE: 721000 596.364 -49.013 -64.6704 61.2516 348.675 339.678 54.1 142.705 542.613 PRESSAVG: 721000 35.4995 -46.219 -100.018 -46.219 -46.2841 60.106 -100.018 60.106 3.44297 GPRESSAVG: 721000 35.984 -43.5363 -100.007 -47.4416 -47.1226 61.69 -100.696 59.0868 3.77263 TIMING: 721000 CPU: 2339.98, 0.00314653/step Wall: 2339.98, 0.00314653/step, 3.74 hours remaining, 230.105469 MB of memory in use. ENERGY: 721000 3986.1106 20563.0782 14527.7164 263.2580 -203330.0148 2735.9154 0.0000 0.0000 51995.9105 -109258.0259 298.8212 -161253.9364 -108888.8345 299.6800 469.1598 495.8842 762673.1264 -2.4472 -2.4553 PRESSURE: 721200 413.5 -246.939 117.455 -246.94 -85.8453 -9.42798 117.455 -9.42915 -32.4621 GPRESSURE: 721200 432.834 -156.219 -21.7095 -219.182 -71.1621 53.1397 72.6857 -0.444221 14.637 PRESSAVG: 721200 67.3039 -3.43046 -23.6913 -3.43052 -114.353 49.5546 -23.6913 49.5545 -18.1684 GPRESSAVG: 721200 67.807 -2.53137 -23.6679 -2.02052 -113.676 49.3438 -26.4806 51.5285 -19.2142 TIMING: 721200 CPU: 2340.61, 0.00313896/step Wall: 2340.61, 0.00313896/step, 3.73083 hours remaining, 230.105469 MB of memory in use. ENERGY: 721200 3972.6026 20762.4862 14477.0704 263.0123 -203831.3868 2871.9875 0.0000 0.0000 52033.8838 -109450.3440 299.0394 -161484.2278 -109095.4272 299.2610 98.3976 125.4364 761475.1092 -21.7391 -21.6944 PRESSURE: 721400 298.552 -62.2597 31.2603 -62.2602 240.656 54.7551 31.2597 54.7546 -175.77 GPRESSURE: 721400 296.659 -75.6687 59.5858 -95.2621 199.065 22.3989 114.64 -32.3703 -76.8466 PRESSAVG: 721400 51.239 -15.8972 53.1406 -15.8972 -25.1745 -11.1272 53.1407 -11.1272 21.0044 GPRESSAVG: 721400 51.1385 -15.8934 53.5973 -16.6153 -26.3258 -11.0463 54.8562 -13.5833 22.3732 TIMING: 721400 CPU: 2341.24, 0.00315097/step Wall: 2341.24, 0.00315097/step, 3.74493 hours remaining, 230.105469 MB of memory in use. ENERGY: 721400 3998.2043 20523.5495 14493.7321 247.7218 -203485.1241 2628.0420 0.0000 0.0000 52230.6108 -109363.2637 300.1700 -161593.8745 -108997.4006 299.6652 121.1458 139.6258 760180.9607 15.6896 15.7286 PRESSURE: 721600 -38.4194 45.1407 28.0843 45.1414 -325.162 131.795 28.0837 131.796 200.365 GPRESSURE: 721600 -101.536 104.022 71.6463 -54.4216 -157.488 252.116 -3.31496 163.364 182.648 PRESSAVG: 721600 27.7881 -25.9405 14.9518 -25.9404 -10.285 -22.7075 14.9517 -22.7075 0.797684 GPRESSAVG: 721600 26.8011 -25.6509 15.1298 -28.6042 -9.1893 -21.2558 14.5343 -22.6107 0.575818 TIMING: 721600 CPU: 2341.87, 0.00315978/step Wall: 2341.87, 0.00315978/step, 3.75522 hours remaining, 230.105469 MB of memory in use. ENERGY: 721600 3977.2497 20514.3086 14418.3051 252.7697 -203213.1996 2273.1554 0.0000 0.0000 52246.9365 -109530.4745 300.2639 -161777.4111 -109156.8575 300.1445 -54.4055 -25.4586 760656.8440 6.1002 6.0625 PRESSURE: 721800 37.0465 123.489 76.7007 123.49 52.9731 153.777 76.7016 153.777 134.796 GPRESSURE: 721800 125.604 135.004 108.335 142.779 21.0607 144.367 38.6522 179.964 165.302 PRESSAVG: 721800 -0.228011 -48.1296 -14.1624 -48.1297 28.656 24.0042 -14.1624 24.0043 16.8784 GPRESSAVG: 721800 0.857034 -50.3698 -16.209 -46.3364 28.2943 23.3344 -13.4512 24.5023 15.9668 TIMING: 721800 CPU: 2342.5, 0.0031667/step Wall: 2342.5, 0.0031667/step, 3.76327 hours remaining, 230.105469 MB of memory in use. ENERGY: 721800 4002.4082 20573.2589 14503.1790 246.0592 -203632.9331 2748.8282 0.0000 0.0000 52310.4173 -109248.7823 300.6287 -161559.1996 -108887.4183 299.7669 74.9387 103.9889 761001.9111 15.1021 15.0394 PRESSURE: 722000 176.977 87.5138 -176.575 87.514 -21.3066 -74.0247 -176.575 -74.0249 181.923 GPRESSURE: 722000 280.912 8.19098 -223.057 157.959 -0.942815 -44.2592 -111.94 -176.303 151.876 PRESSAVG: 722000 45.5102 -36.0346 -32.1184 -36.0347 -31.9152 -42.3387 -32.1184 -42.3388 -18.0307 GPRESSAVG: 722000 44.9721 -35.4153 -29.4563 -34.9767 -32.3037 -44.0997 -31.8269 -41.4447 -17.1592 TIMING: 722000 CPU: 2343.14, 0.00315737/step Wall: 2343.14, 0.00315737/step, 3.75201 hours remaining, 230.105469 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: 722000 3989.3771 20359.2826 14466.5467 256.3196 -203438.8176 2592.9168 0.0000 0.0000 52261.4027 -109512.9721 300.3470 -161774.3748 -109141.3380 299.8899 112.5310 143.9484 761096.7129 -1.4786 -1.4970 PRESSURE: 722200 65.6454 -13.5087 -2.84461 -13.509 -199.521 12.121 -2.84354 12.1209 -54.4228 GPRESSURE: 722200 -58.9385 -12.185 52.1554 -94.9255 -137.301 39.8638 -96.9572 123.8 89.9844 PRESSAVG: 722200 34.6449 14.9544 7.20007 14.9544 -6.30544 -33.0516 7.20002 -33.0517 22.6184 GPRESSAVG: 722200 34.4557 15.3815 7.23352 14.619 -6.26526 -32.0985 6.08637 -33.0551 22.5009 TIMING: 722200 CPU: 2343.77, 0.00315594/step Wall: 2343.77, 0.00315594/step, 3.75014 hours remaining, 230.105469 MB of memory in use. ENERGY: 722200 3908.3370 20642.0944 14485.2727 259.2625 -203254.8216 2318.6952 0.0000 0.0000 52223.8476 -109417.3122 300.1312 -161641.1598 -109048.4341 299.5296 -62.7661 -35.4184 760813.3481 16.9860 16.8971 PRESSURE: 722400 -157.48 10.1543 -249.388 10.1542 -249.386 -160.339 -249.388 -160.339 49.9918 GPRESSURE: 722400 -169.385 -44.2717 -229.711 91.9562 -155.99 -211.2 -383.774 -73.6547 59.248 PRESSAVG: 722400 4.22922 -11.5409 7.36207 -11.541 0.846246 -3.51043 7.36204 -3.51044 -12.8295 GPRESSAVG: 722400 4.21911 -10.7732 6.48436 -12.1535 2.06651 -3.6285 7.96471 -1.55062 -13.1543 TIMING: 722400 CPU: 2344.4, 0.00314578/step Wall: 2344.4, 0.00314578/step, 3.73789 hours remaining, 230.105469 MB of memory in use. ENERGY: 722400 4117.5961 20550.4559 14500.0694 226.6605 -203541.8290 2639.9212 0.0000 0.0000 52185.6804 -109321.4454 299.9118 -161507.1259 -108961.9703 300.0669 -118.9580 -88.7089 759582.7445 -2.5847 -2.2896 PRESSURE: 722600 239.462 8.90663 2.41585 8.9064 108.615 6.63543 2.41525 6.63586 -187.543 GPRESSURE: 722600 228.605 117.224 11.6429 34.6274 199.155 -30.2014 10.1384 35.2913 -180.265 PRESSAVG: 722600 -22.8608 47.7063 -43.8033 47.7063 43.2194 0.275689 -43.8033 0.275567 12.0886 GPRESSAVG: 722600 -22.341 46.6286 -43.4884 48.8124 42.9547 0.603139 -42.9288 -4.44873 12.2404 TIMING: 722600 CPU: 2345.02, 0.00313926/step Wall: 2345.02, 0.00313926/step, 3.72996 hours remaining, 230.105469 MB of memory in use. ENERGY: 722600 4045.0324 20560.6121 14439.7303 234.1187 -203138.3271 2461.4018 0.0000 0.0000 52120.6138 -109276.8181 299.5379 -161397.4319 -108918.6804 300.2465 53.5116 82.4983 760099.6481 10.8157 10.9514 PRESSURE: 722800 -186.299 -164.731 141.605 -164.731 11.8806 350.028 141.606 350.027 -150.908 GPRESSURE: 722800 -197.133 -153.735 167.302 -129.744 130.118 306.748 132.47 365.745 -173.205 PRESSAVG: 722800 -9.46145 -33.9992 19.0435 -33.9991 -8.71449 37.4795 19.0435 37.4795 9.09742 GPRESSAVG: 722800 -9.4118 -34.1776 16.5591 -33.6994 -9.03569 36.7965 18.5961 40.239 9.00727 TIMING: 722800 CPU: 2345.65, 0.00313911/step Wall: 2345.65, 0.00313911/step, 3.72961 hours remaining, 230.105469 MB of memory in use. ENERGY: 722800 4059.8057 20645.0234 14528.1763 245.9844 -203728.2298 2540.3375 0.0000 0.0000 52170.3747 -109538.5278 299.8239 -161708.9024 -109164.1981 299.6639 -108.4424 -80.0733 759210.5875 -3.0262 -3.1467 PRESSURE: 723000 204.024 -25.769 38.423 -25.7696 -111.889 -265.919 38.4237 -265.92 -160.496 GPRESSURE: 723000 205.458 -16.5117 82.6568 70.4858 -107.178 -165.992 62.539 -214.873 -85.1606 PRESSAVG: 723000 39.2845 -11.0225 15.7821 -11.0224 -41.1389 -20.3865 15.7821 -20.3866 -7.50751 GPRESSAVG: 723000 38.3742 -9.16561 17.6284 -13.0695 -40.4981 -21.5333 16.2981 -19.8176 -6.86079 TIMING: 723000 CPU: 2346.28, 0.00315927/step Wall: 2346.28, 0.00315927/step, 3.75339 hours remaining, 230.105469 MB of memory in use. ENERGY: 723000 4011.0687 20637.3431 14544.8891 239.5572 -203451.7939 2546.7489 0.0000 0.0000 51899.5966 -109572.5904 298.2677 -161472.1869 -109197.5091 299.8253 -22.7870 4.3730 760612.5261 -3.1206 -2.9949 PRESSURE: 723200 -49.7354 69.6651 42.308 69.6643 -16.2595 108.195 42.3078 108.196 354.834 GPRESSURE: 723200 58.8185 52.377 3.48946 14.6012 61.9723 17.1514 -47.8909 100.429 246.494 PRESSAVG: 723200 30.9955 -45.9093 28.258 -45.9093 -26.749 3.98368 28.2581 3.98371 -0.618019 GPRESSAVG: 723200 31.1197 -50.1321 28.5685 -42.0325 -26.019 3.83365 26.2793 2.57086 -1.3745 TIMING: 723200 CPU: 2346.91, 0.00315274/step Wall: 2346.91, 0.00315274/step, 3.74546 hours remaining, 230.105469 MB of memory in use. ENERGY: 723200 4037.2445 20598.3087 14465.7406 247.4863 -203772.1595 2864.9067 0.0000 0.0000 52031.7359 -109526.7367 299.0271 -161558.4726 -109164.2403 299.1258 96.2797 122.4282 760016.9938 1.2095 1.2421 PRESSURE: 723400 419.248 49.988 57.3411 49.9882 283.655 49.7663 57.3414 49.7668 446.556 GPRESSURE: 723400 428.597 -12.0367 -33.0564 14.4674 350.455 71.8739 -85.2775 19.3419 473.021 PRESSAVG: 723400 22.4125 -22.5658 -18.5563 -22.5657 -11.1727 35.115 -18.5564 35.115 -24.3288 GPRESSAVG: 723400 22.4927 -21.9088 -17.7918 -25.8385 -11.6813 36.0526 -16.2235 36.6964 -23.2599 TIMING: 723400 CPU: 2347.54, 0.00315093/step Wall: 2347.54, 0.00315093/step, 3.74312 hours remaining, 230.105469 MB of memory in use. ENERGY: 723400 3998.0833 20472.2521 14490.1722 237.5554 -203175.9826 2515.0620 0.0000 0.0000 51968.7931 -109494.0644 298.6654 -161462.8576 -109133.9103 299.4675 383.1529 417.3578 760649.5297 -4.3630 -4.1495 PRESSURE: 723600 -69.6121 -70.9857 -95.84 -70.9847 124.05 239.561 -95.8391 239.561 -9.01262 GPRESSURE: 723600 -77.9607 29.5464 -49.526 5.61374 242.376 241.183 -186.846 311.76 -40.1004 PRESSAVG: 723600 -34.1265 -65.7498 -0.329812 -65.7497 -5.87455 16.489 -0.329813 16.4892 -14.6826 GPRESSAVG: 723600 -33.618 -62.8509 -0.63541 -65.5178 -7.19268 14.8339 -1.45985 15.7398 -14.3399 TIMING: 723600 CPU: 2348.18, 0.00315547/step Wall: 2348.18, 0.00315547/step, 3.74834 hours remaining, 230.105469 MB of memory in use. ENERGY: 723600 3935.7861 20404.0148 14503.6412 260.3369 -203517.7717 2475.4427 0.0000 0.0000 52212.1431 -109726.4069 300.0639 -161938.5500 -109361.0488 298.9466 15.1417 41.4383 761337.7022 -18.2279 -18.3835 PRESSURE: 723800 487.63 -17.307 -197.455 -17.3071 315.275 -41.6902 -197.455 -41.6907 431.064 GPRESSURE: 723800 405.539 -85.4222 -239.525 -69.5758 357.285 -139.869 -74.4276 9.1549 548.743 PRESSAVG: 723800 -17.9697 -44.0035 11.6236 -44.0035 10.9634 18.3185 11.6236 18.3185 20.6684 GPRESSAVG: 723800 -18.2583 -47.5345 9.91313 -42.4409 11.4574 20.2314 11.4881 18.1707 19.8631 TIMING: 723800 CPU: 2348.8, 0.0031296/step Wall: 2348.8, 0.0031296/step, 3.71744 hours remaining, 230.105469 MB of memory in use. ENERGY: 723800 3957.3775 20677.9748 14443.4960 236.6718 -203602.4573 2555.0667 0.0000 0.0000 51836.3499 -109895.5206 297.9042 -161731.8705 -109546.2925 298.9578 411.3232 437.1890 759643.5910 4.5540 4.3541 PRESSURE: 724000 -256.835 -172.766 -175.847 -172.767 115.053 -52.1851 -175.846 -52.1842 156.96 GPRESSURE: 724000 -279.715 -160.358 -92.8745 -85.5406 199.959 -20.6981 -188.558 -56.7388 192.295 PRESSAVG: 724000 -3.80647 -66.245 25.9529 -66.245 38.1254 24.2835 25.9529 24.2835 -9.75526 GPRESSAVG: 724000 -4.19497 -62.6215 27.5659 -67.0156 38.6286 24.3148 25.7102 23.7832 -9.30821 TIMING: 724000 CPU: 2349.43, 0.00312566/step Wall: 2349.43, 0.00312566/step, 3.71259 hours remaining, 230.105469 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: 724000 4007.5980 20500.0633 14475.1162 242.4483 -203829.7584 2589.6746 0.0000 0.0000 51958.2286 -110056.6294 298.6047 -162014.8580 -109690.9874 298.3345 5.0591 37.5129 759638.2181 8.1879 8.3751 PRESSURE: 724200 -29.5645 14.533 8.82687 14.5324 -30.7034 -87.8884 8.82682 -87.8888 -191.792 GPRESSURE: 724200 59.5065 25.765 -23.2937 -59.0553 -6.8051 -78.9596 -97.4233 26.3686 -228.911 PRESSAVG: 724200 -1.33804 -13.221 -9.59368 -13.221 13.8369 9.48521 -9.59369 9.4852 -8.62447 GPRESSAVG: 724200 -0.516121 -13.3607 -10.474 -15.7383 14.0797 9.23373 -7.17556 10.2918 -9.5833 TIMING: 724200 CPU: 2350.05, 0.00312627/step Wall: 2350.05, 0.00312627/step, 3.71314 hours remaining, 230.105469 MB of memory in use. ENERGY: 724200 4029.0961 20523.3738 14477.3934 246.8255 -203604.0744 2284.0722 0.0000 0.0000 51941.9085 -110101.4050 298.5109 -162043.3135 -109733.8403 298.6713 -84.0201 -58.7365 758508.2410 1.2915 1.3268 LDB: ============= START OF LOAD BALANCING ============== 2362.47 LDB: ============== END OF LOAD BALANCING =============== 2362.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2362.47 LDB: ============= START OF LOAD BALANCING ============== 2362.79 LDB: Largest compute 7049 load 0.035638 is 18.3% of average load 0.195056 LDB: Average compute 0.004387 is 2.2% of average load 0.195056 LDB: TIME 2362.79 LOAD: AVG 0.195056 MAX 0.21487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.93 MB LDB: TIME 2362.79 LOAD: AVG 0.195056 MAX 0.21487 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.133 MB LDB: TIME 2362.79 LOAD: AVG 0.195056 MAX 0.21487 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.133 MB LDB: ============== END OF LOAD BALANCING =============== 2362.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2362.8 PRESSURE: 724400 -163.289 79.3343 -257.84 79.335 -362.538 -221.831 -257.84 -221.83 -263.106 GPRESSURE: 724400 -119.587 23.7826 -295.768 -69.4117 -319.813 -264.63 -175.439 -55.5732 -256.614 PRESSAVG: 724400 -6.78153 34.8416 -4.96075 34.8416 -12.2746 31.2598 -4.96061 31.2599 12.4089 GPRESSAVG: 724400 -6.05042 33.077 -5.18063 36.5893 -13.292 32.6649 -7.33576 30.3239 13.0799 TIMING: 724400 CPU: 2350.69, 0.0032092/step Wall: 2350.69, 0.0032092/step, 3.81146 hours remaining, 232.359375 MB of memory in use. ENERGY: 724400 4041.1320 20592.7730 14423.4220 255.7549 -203394.3403 2337.2994 0.0000 0.0000 51912.5357 -109831.4233 298.3421 -161743.9589 -109476.1412 299.3483 -262.9775 -232.0045 759402.2704 -2.2157 -2.0875 PRESSURE: 724600 -1.25922 -195.146 48.2595 -195.145 -90.2587 73.1889 48.2598 73.1883 85.7463 GPRESSURE: 724600 79.6874 -235.007 55.1758 -180.617 -53.9325 87.4206 8.12344 80.628 61.8007 PRESSAVG: 724600 -30.0527 46.7769 45.5259 46.7769 -12.6434 -15.7424 45.5259 -15.7424 4.7615 GPRESSAVG: 724600 -31.2717 48.2436 43.7331 45.9627 -11.4342 -17.3095 46.5398 -16.4608 5.2524 TIMING: 724600 CPU: 2351.33, 0.00316054/step Wall: 2351.33, 0.00316054/step, 3.75349 hours remaining, 232.562500 MB of memory in use. ENERGY: 724600 3947.9070 20473.4455 14547.9847 245.3756 -203297.3905 2422.5250 0.0000 0.0000 51726.6542 -109933.4983 297.2738 -161660.1526 -109566.8341 298.5699 -1.9239 29.1852 760744.2701 -12.6449 -12.4845 PRESSURE: 724800 -349.178 118.082 -4.79498 118.082 62.5977 -34.7013 -4.79507 -34.7008 -42.682 GPRESSURE: 724800 -259.022 -7.87308 -5.19917 156.933 101.879 -17.7402 71.3195 -164.439 -98.4637 PRESSAVG: 724800 31.1476 11.7741 20.0479 11.7741 -12.9302 -35.987 20.0479 -35.9869 0.277087 GPRESSAVG: 724800 30.4434 11.8829 22.2152 13.4729 -12.6839 -35.7601 20.5523 -33.723 0.610846 TIMING: 724800 CPU: 2351.96, 0.00315449/step Wall: 2351.96, 0.00315449/step, 3.74613 hours remaining, 232.562500 MB of memory in use. ENERGY: 724800 4002.0686 20387.5996 14515.3245 262.4017 -203745.8382 2568.9008 0.0000 0.0000 52005.8736 -110003.6693 298.8785 -162009.5429 -109635.1401 298.3394 -109.7542 -85.2022 760168.0404 6.1648 6.1235 PRESSURE: 725000 107.95 79.6081 153.56 79.608 -30.3562 16.5852 153.56 16.5861 25.718 GPRESSURE: 725000 130.971 55.4959 156.998 82.1339 -33.4978 16.4985 229.005 -102.654 90.4188 PRESSAVG: 725000 -1.67258 0.947041 21.794 0.947058 73.9495 -45.0194 21.794 -45.0194 4.01755 GPRESSAVG: 725000 -1.66244 0.568729 22.9596 0.741968 75.0974 -44.9831 21.1258 -46.5617 3.13736 TIMING: 725000 CPU: 2352.59, 0.00314213/step Wall: 2352.59, 0.00314213/step, 3.73128 hours remaining, 232.562500 MB of memory in use. ENERGY: 725000 4025.7273 20418.0781 14484.0290 224.7221 -203797.6145 2558.6297 0.0000 0.0000 52181.4501 -109904.9782 299.8875 -162086.4283 -109540.9333 298.2858 34.4372 62.6306 759451.0507 25.4315 25.5241 PRESSURE: 725200 69.63 -21.6842 13.7244 -21.6845 -10.7519 130.648 13.7242 130.648 222.163 GPRESSURE: 725200 133.792 8.11094 -0.0884554 -34.0687 12.7099 132.896 20.9403 34.7051 239.591 PRESSAVG: 725200 -9.12667 59.9275 -12.4417 59.9274 -10.3076 -23.89 -12.4418 -23.89 -10.0327 GPRESSAVG: 725200 -8.95776 61.2622 -13.0979 58.5306 -11.9299 -24.6814 -12.1179 -23.6996 -8.31421 TIMING: 725200 CPU: 2353.21, 0.0031397/step Wall: 2353.21, 0.0031397/step, 3.72822 hours remaining, 232.562500 MB of memory in use. ENERGY: 725200 3942.4337 20459.2051 14510.5919 256.9175 -203652.4048 2564.1173 0.0000 0.0000 52000.4852 -109918.6541 298.8475 -161919.1393 -109551.5518 298.6340 93.6803 128.6976 760295.3581 -9.8223 -9.7339 PRESSURE: 725400 204.477 38.8736 -23.7035 38.8728 176.76 103.889 -23.7028 103.888 -65.0025 GPRESSURE: 725400 182.516 67.5453 -164.089 91.634 252.496 69.3955 68.4535 76.538 -41.3863 PRESSAVG: 725400 23.1489 16.3109 13.4087 16.3109 -3.46636 33.5771 13.4087 33.5771 20.6588 GPRESSAVG: 725400 23.0037 16.2627 12.484 16.4584 -3.21828 34.4228 14.3846 33.335 20.4225 TIMING: 725400 CPU: 2353.84, 0.00314776/step Wall: 2353.84, 0.00314776/step, 3.73762 hours remaining, 232.562500 MB of memory in use. ENERGY: 725400 4013.9117 20591.3014 14512.6809 252.8634 -203554.9371 2486.4870 0.0000 0.0000 52093.2762 -109604.4165 299.3808 -161697.6927 -109243.1594 298.9868 105.4116 131.2087 760720.1866 13.4471 13.4026 PRESSURE: 725600 -168.632 -148.47 -4.25503 -148.469 364.528 86.1212 -4.25526 86.1197 167.789 GPRESSURE: 725600 -100.144 -253.479 -39.2598 -211.176 291.33 28.7478 -57.6928 74.9049 233.629 PRESSAVG: 725600 23.288 -11.2348 -35.5916 -11.2348 -12.5147 -1.23356 -35.5916 -1.23357 7.76254 GPRESSAVG: 725600 25.0851 -14.1335 -35.6481 -8.32281 -14.5026 0.330369 -36.0821 -1.70866 7.52954 TIMING: 725600 CPU: 2354.47, 0.00315136/step Wall: 2354.47, 0.00315136/step, 3.74172 hours remaining, 232.562500 MB of memory in use. ENERGY: 725600 3945.6343 20595.8475 14497.1525 258.9568 -203791.1406 2661.0841 0.0000 0.0000 52032.4404 -109800.0250 299.0312 -161832.4655 -109439.5723 299.0933 121.2285 141.6050 760104.9858 6.1786 6.0373 PRESSURE: 725800 -161.62 -83.9693 -88.1008 -83.9699 50.9843 127.648 -88.1011 127.647 350.294 GPRESSURE: 725800 -89.549 -76.5855 -29.1575 -47.961 118.778 123.814 -150.817 130.975 295.935 PRESSAVG: 725800 -6.90527 -15.7438 -57.0486 -15.7437 -14.9978 37.5873 -57.0485 37.5872 -17.105 GPRESSAVG: 725800 -8.6429 -15.8055 -56.2152 -17.101 -13.0111 36.9596 -58.6624 36.8236 -16.5738 TIMING: 725800 CPU: 2355.1, 0.00315032/step Wall: 2355.1, 0.00315032/step, 3.74031 hours remaining, 232.562500 MB of memory in use. ENERGY: 725800 4025.6674 20616.2046 14446.8758 233.5177 -204255.6007 2884.6115 0.0000 0.0000 51908.4359 -110140.2878 298.3185 -162048.7238 -109785.5238 298.4230 79.8861 108.3881 759402.3922 -13.0027 -12.7426 PRESSURE: 726000 175.631 25.0862 -18.9038 25.0852 134.222 -153.788 -18.9035 -153.789 981.043 GPRESSURE: 726000 225.74 52.6365 -3.55242 -71.4732 206.184 -169.412 -235.579 -133.707 925.276 PRESSAVG: 726000 42.5198 -19.1213 -9.50095 -19.1213 11.3993 -8.96723 -9.50093 -8.96725 20.5242 GPRESSAVG: 726000 44.4354 -16.2577 -10.1552 -19.5432 9.78419 -9.12871 -10.1559 -6.88457 20.2533 TIMING: 726000 CPU: 2355.73, 0.00314464/step Wall: 2355.73, 0.00314464/step, 3.73339 hours remaining, 232.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 3959.0970 20472.7865 14473.5101 260.3082 -203384.6246 2432.9084 0.0000 0.0000 51835.7643 -109950.2502 297.9008 -161786.0145 -109584.6542 298.3059 430.2986 452.3999 758356.3022 24.8145 24.8243 PRESSURE: 726200 -216.724 145.684 143.824 145.685 -136.079 -407.715 143.824 -407.715 256.126 GPRESSURE: 726200 -159.148 147.952 204.057 197.458 -77.126 -375.512 120.55 -298.908 213.301 PRESSAVG: 726200 -19.2341 24.3793 -17.3302 24.3794 4.67549 -51.7575 -17.3302 -51.7575 8.63937 GPRESSAVG: 726200 -20.8063 24.4932 -18.0133 24.5784 5.82718 -52.3304 -16.4019 -52.1722 8.67327 TIMING: 726200 CPU: 2356.36, 0.00315389/step Wall: 2356.36, 0.00315389/step, 3.74419 hours remaining, 232.562500 MB of memory in use. ENERGY: 726200 3890.5100 20433.7844 14499.9038 254.1548 -203353.2331 2671.5031 0.0000 0.0000 51660.3983 -109942.9787 296.8930 -161603.3771 -109575.6089 298.5899 -32.2256 -7.6577 760952.5668 -1.9731 -2.1019 PRESSURE: 726400 -48.855 -118.568 -155.871 -118.568 -327.125 88.2015 -155.871 88.2022 -256.073 GPRESSURE: 726400 13.7503 -86.1977 -87.0667 -92.7108 -331.538 1.10505 -259.489 18.7568 -239.158 PRESSAVG: 726400 -26.6235 -25.3045 -35.411 -25.3045 9.42063 6.59502 -35.4109 6.59493 -16.6606 GPRESSAVG: 726400 -26.1046 -26.9517 -36.8439 -25.611 8.14844 7.11287 -34.6745 5.86049 -16.4371 TIMING: 726400 CPU: 2356.99, 0.00315838/step Wall: 2356.99, 0.00315838/step, 3.74935 hours remaining, 232.562500 MB of memory in use. ENERGY: 726400 3974.5114 20361.1020 14433.7488 240.8833 -203126.0257 2123.3568 0.0000 0.0000 51980.0553 -110012.3681 298.7301 -161992.4234 -109653.9260 298.3131 -210.6842 -185.6487 759054.8229 -11.2878 -11.4644 PRESSURE: 726600 48.1507 -180.297 -150.88 -180.297 -40.4358 139.366 -150.879 139.368 323.998 GPRESSURE: 726600 39.0398 -16.1858 -138.161 -202.044 0.401813 66.3231 -151.547 116.787 375.514 PRESSAVG: 726600 27.1814 3.6207 28.5587 3.62069 -17.431 -11.9613 28.5587 -11.9613 5.17784 GPRESSAVG: 726600 25.989 3.63349 31.9958 4.71923 -16.498 -11.2865 27.6732 -12.5902 5.58909 TIMING: 726600 CPU: 2357.62, 0.00314349/step Wall: 2357.62, 0.00314349/step, 3.7315 hours remaining, 232.562500 MB of memory in use. ENERGY: 726600 3976.9520 20528.8096 14416.3046 251.6625 -203474.5029 2614.8457 0.0000 0.0000 51829.4568 -109856.4717 297.8646 -161685.9285 -109506.5846 298.4534 110.5710 138.3185 756861.0503 4.9761 5.0267 PRESSURE: 726800 -73.3973 -67.0196 -31.431 -67.0197 151.568 101.867 -31.4296 101.867 -47.6111 GPRESSURE: 726800 -79.7989 -72.4414 -25.8167 -62.5318 184.986 152.043 -103.393 124.253 17.5779 PRESSAVG: 726800 52.382 4.87161 24.0084 4.87156 0.976556 46.6385 24.0084 46.6384 1.501 GPRESSAVG: 726800 53.6949 5.46011 23.4203 5.7817 -0.386863 46.4662 24.7464 47.6808 1.01484 TIMING: 726800 CPU: 2358.25, 0.0031473/step Wall: 2358.25, 0.0031473/step, 3.73584 hours remaining, 232.562500 MB of memory in use. ENERGY: 726800 3870.6206 20420.0345 14445.8888 233.4425 -203199.6006 2369.4617 0.0000 0.0000 52134.2688 -109725.8837 299.6164 -161860.1525 -109356.2382 298.7939 10.1867 40.9216 759628.2999 18.2865 18.1076 PRESSURE: 727000 -342.332 -41.0839 -234.085 -41.0831 -66.76 -36.9461 -234.085 -36.9473 -375.158 GPRESSURE: 727000 -211.12 3.33186 -246.434 39.2112 -147.317 -89.3229 -225.841 -47.8803 -340.833 PRESSAVG: 727000 30.915 -20.703 -51.682 -20.7031 -15.8835 43.0419 -51.682 43.0419 -26.1904 GPRESSAVG: 727000 29.6323 -20.1468 -54.2075 -20.7989 -13.9334 41.8811 -51.9704 42.0133 -27.0345 TIMING: 727000 CPU: 2358.88, 0.00314585/step Wall: 2358.88, 0.00314585/step, 3.73395 hours remaining, 232.562500 MB of memory in use. ENERGY: 727000 3930.9431 20548.2455 14488.2737 260.3206 -203190.8151 2298.9309 0.0000 0.0000 52183.9024 -109480.1989 299.9016 -161664.1013 -109119.8401 299.5522 -261.4168 -233.0901 761719.5271 -3.7196 -3.7785 PRESSURE: 727200 94.7777 65.9042 40.9875 65.9035 210.306 -61.9117 40.9867 -61.9127 -294.946 GPRESSURE: 727200 104.07 35.9837 -4.25346 48.8561 148.836 -154.732 95.3255 -139.584 -177.734 PRESSAVG: 727200 -9.83858 -61.795 -56.0233 -61.795 -11.1574 -36.8639 -56.0233 -36.8639 -29.0735 GPRESSAVG: 727200 -9.42806 -64.0416 -53.7288 -63.1719 -13.1348 -34.985 -56.7302 -37.5478 -27.6826 TIMING: 727200 CPU: 2359.51, 0.00313954/step Wall: 2359.51, 0.00313954/step, 3.72629 hours remaining, 232.562500 MB of memory in use. ENERGY: 727200 3987.9691 20470.7441 14441.4624 231.6526 -203360.9593 2480.5258 0.0000 0.0000 51938.1438 -109810.4615 298.4892 -161748.6053 -109446.9316 298.9126 3.3792 25.0571 760389.9120 -16.6898 -16.7485 PRESSURE: 727400 -175.731 52.8724 -5.75249 52.8721 -312.534 53.075 -5.75267 53.0743 120.246 GPRESSURE: 727400 -148.014 16.3231 71.1193 76.7889 -210.823 148.318 36.8744 122.912 83.5136 PRESSAVG: 727400 39.8195 -17.7738 -4.67995 -17.7737 -8.43491 79.2718 -4.67992 79.2718 6.22847 GPRESSAVG: 727400 38.0721 -16.3983 -4.78575 -17.3167 -6.74765 78.2394 -2.44721 84.064 6.05913 TIMING: 727400 CPU: 2360.14, 0.00315313/step Wall: 2360.14, 0.00315313/step, 3.74224 hours remaining, 232.562500 MB of memory in use. ENERGY: 727400 4053.2720 20458.4208 14474.3517 264.7096 -203523.1342 2526.7380 0.0000 0.0000 51982.1447 -109763.4974 298.7421 -161745.6421 -109401.6006 298.6038 -122.6732 -91.7745 760657.5457 12.5377 12.4612 PRESSURE: 727600 170.15 -30.2327 186.641 -30.2322 -120.167 -66.0479 186.64 -66.0474 -224.823 GPRESSURE: 727600 145.4 -197.011 85.698 -28.5007 -56.2113 -109.455 150.991 -82.3782 -167.176 PRESSAVG: 727600 77.0732 -60.375 -18.3795 -60.375 -40.6241 -5.91938 -18.3795 -5.91932 6.42325 GPRESSAVG: 727600 77.3783 -60.254 -17.3791 -60.2389 -40.4626 -5.49688 -20.2663 -9.08154 6.42972 TIMING: 727600 CPU: 2360.77, 0.00315205/step Wall: 2360.77, 0.00315205/step, 3.74078 hours remaining, 232.562500 MB of memory in use. ENERGY: 727600 3971.9210 20393.4561 14363.5911 258.4885 -203158.8828 2227.1971 0.0000 0.0000 52203.6971 -109740.5320 300.0154 -161944.2291 -109362.1916 299.1200 -58.2802 -25.9957 759891.4648 14.2908 14.4485 PRESSURE: 727800 26.1098 -84.6859 106.601 -84.6853 50.135 -213.978 106.6 -213.978 -176.086 GPRESSURE: 727800 -1.41097 -63.0725 175.966 -45.9142 72.7595 -277.253 79.1493 -128.335 -88.2306 PRESSAVG: 727800 19.9086 -5.48705 40.0226 -5.48696 -63.8708 -8.91054 40.0226 -8.91059 -11.8745 GPRESSAVG: 727800 20.3857 -7.87499 38.4874 -5.41179 -64.407 -8.86656 40.1329 -8.1695 -12.0335 TIMING: 727800 CPU: 2361.4, 0.00314655/step Wall: 2361.4, 0.00314655/step, 3.73408 hours remaining, 232.562500 MB of memory in use. ENERGY: 727800 3948.7549 20565.4911 14407.3368 249.5303 -203211.0286 2254.1918 0.0000 0.0000 52236.6923 -109549.0315 300.2050 -161785.7238 -109185.8645 299.1267 -33.2804 -5.6274 760576.9575 -18.6122 -18.6849 PRESSURE: 728000 196.955 -214.302 164.961 -214.302 132.98 -37.0463 164.962 -37.047 -80.5499 GPRESSURE: 728000 156.802 -209.643 209.598 -291.716 167.836 -17.9991 85.187 -43.9689 -7.36417 PRESSAVG: 728000 -1.42934 -37.4656 9.45056 -37.4656 40.5297 3.90598 9.45057 3.90601 -9.88096 GPRESSAVG: 728000 -1.47574 -35.653 9.49009 -39.2139 41.6691 3.80665 9.97095 1.25891 -10.3944 TIMING: 728000 CPU: 2362.03, 0.00314506/step Wall: 2362.03, 0.00314506/step, 3.73213 hours remaining, 232.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 3923.4608 20427.2798 14478.5546 247.9166 -203541.0151 2438.4537 0.0000 0.0000 52135.7180 -109889.6315 299.6247 -162025.3495 -109523.2835 298.7131 83.1286 105.7579 759563.3626 9.7398 9.9330 PRESSURE: 728200 -258.315 72.8199 -245.962 72.8205 -23.4501 113.742 -245.962 113.742 -237.519 GPRESSURE: 728200 -193.604 40.8622 -126.205 56.5323 -9.59676 0.434146 -231.026 225.082 -241.04 PRESSAVG: 728200 12.4895 -85.2899 28.8731 -85.2899 -4.99787 -2.06429 28.8731 -2.06428 6.98109 GPRESSAVG: 728200 12.9671 -83.4783 30.3605 -84.5011 -5.17317 -1.27731 28.353 0.376655 7.06368 TIMING: 728200 CPU: 2362.66, 0.00314203/step Wall: 2362.66, 0.00314203/step, 3.72837 hours remaining, 232.562500 MB of memory in use. ENERGY: 728200 3917.4739 20615.8111 14483.2522 243.8103 -203358.1505 2041.3132 0.0000 0.0000 52198.5559 -109857.9339 299.9858 -162056.4898 -109501.1233 298.9726 -173.0945 -148.0805 760761.0252 4.8242 4.9525 LDB: ============= START OF LOAD BALANCING ============== 2375.08 LDB: ============== END OF LOAD BALANCING =============== 2375.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2375.08 LDB: ============= START OF LOAD BALANCING ============== 2375.39 LDB: Largest compute 7058 load 0.034672 is 17.8% of average load 0.195029 LDB: Average compute 0.004372 is 2.2% of average load 0.195029 LDB: TIME 2375.4 LOAD: AVG 0.195029 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 2375.4 LOAD: AVG 0.195029 MAX 0.214587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.891 MB LDB: TIME 2375.4 LOAD: AVG 0.195029 MAX 0.214587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.891 MB LDB: ============== END OF LOAD BALANCING =============== 2375.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2375.41 PRESSURE: 728400 244.195 -166.916 -116.978 -166.916 82.6432 -55.0524 -116.978 -55.053 517.678 GPRESSURE: 728400 356.86 -254.738 -96.6184 -253.002 3.3273 -73.2086 -165.992 -125.17 581.555 PRESSAVG: 728400 -46.0188 -18.6923 -19.6628 -18.6923 65.0384 -9.87747 -19.6628 -9.87748 6.52836 GPRESSAVG: 728400 -45.8775 -23.238 -19.6919 -18.3337 64.1445 -10.4078 -21.5114 -9.32963 6.96001 TIMING: 728400 CPU: 2363.3, 0.00320868/step Wall: 2363.3, 0.00320868/step, 3.80728 hours remaining, 230.816406 MB of memory in use. ENERGY: 728400 4024.1967 20461.8216 14484.3807 247.3319 -203654.3447 2475.4310 0.0000 0.0000 51956.3287 -110004.8542 298.5937 -161961.1829 -109652.8565 298.5798 281.5056 313.9139 758431.3370 8.5160 8.4090 PRESSURE: 728600 120.262 187.319 21.7064 187.319 376.415 84.6038 21.7065 84.6047 -52.0364 GPRESSURE: 728600 209.811 186.999 -132.998 177.521 413.283 110.844 121.493 10.3761 -107.815 PRESSAVG: 728600 32.1387 -30.4947 11.7434 -30.4947 -35.247 64.6114 11.7433 64.6114 -5.30024 GPRESSAVG: 728600 31.9227 -28.0495 11.9294 -31.9156 -33.7581 66.4383 11.9203 62.0246 -6.63397 TIMING: 728600 CPU: 2363.93, 0.00312812/step Wall: 2363.93, 0.00312812/step, 3.71152 hours remaining, 230.816406 MB of memory in use. ENERGY: 728600 3960.7629 20425.2913 14489.5859 248.5891 -203503.9533 2421.9380 0.0000 0.0000 52007.8370 -109949.9491 298.8898 -161957.7861 -109589.0741 298.0965 148.2134 171.7599 758373.0779 -2.8028 -2.8231 PRESSURE: 728800 115.685 -57.5696 253.503 -57.5698 -33.7916 230.396 253.502 230.396 -46.3337 GPRESSURE: 728800 138.267 20.6119 244.177 17.5 28.0733 230.424 218.191 212.333 -34.7159 PRESSAVG: 728800 59.2434 2.92827 6.19034 2.92827 -42.8405 -2.75825 6.19031 -2.75817 -0.893665 GPRESSAVG: 728800 59.5479 3.28193 4.22438 4.32896 -43.6728 -4.15058 7.79489 -1.16453 -0.144694 TIMING: 728800 CPU: 2364.55, 0.00312674/step Wall: 2364.55, 0.00312674/step, 3.7097 hours remaining, 230.816406 MB of memory in use. ENERGY: 728800 4036.4190 20543.3079 14503.8431 225.3702 -203288.2789 2443.2771 0.0000 0.0000 51782.0350 -109754.0265 297.5921 -161536.0616 -109408.5869 298.7227 11.8532 43.8747 759176.9470 5.1697 5.2435 PRESSURE: 729000 11.3526 293.143 -12.1614 293.143 131.035 -335.307 -12.1618 -335.308 -31.6886 GPRESSURE: 729000 32.221 203.167 0.195888 120.677 105.198 -389.128 19.5992 -304.056 80.9598 PRESSAVG: 729000 -29.6506 -65.0241 -9.34274 -65.0241 35.5652 5.0885 -9.34268 5.08845 12.4696 GPRESSAVG: 729000 -29.7487 -64.7553 -7.61928 -66.0295 36.2252 5.69382 -9.72274 2.5643 11.9668 TIMING: 729000 CPU: 2365.18, 0.00312862/step Wall: 2365.18, 0.00312862/step, 3.71175 hours remaining, 230.886719 MB of memory in use. ENERGY: 729000 4005.8692 20387.6790 14412.6657 245.3185 -203896.5836 2740.5988 0.0000 0.0000 52369.1990 -109735.2536 300.9665 -162104.4526 -109368.1866 299.3567 36.8996 72.7928 759032.3313 6.1280 6.1478 PRESSURE: 729200 -204.704 -101.391 -7.38501 -101.39 -56.6743 -245.744 -7.38508 -245.743 282.915 GPRESSURE: 729200 -147.375 -120.164 -64.1614 -96.6333 -16.0916 -264.476 55.3285 -137.577 263.383 PRESSAVG: 729200 11.9523 17.3057 -54.7738 17.3058 6.55412 -19.9105 -54.7738 -19.9104 26.4377 GPRESSAVG: 729200 12.1198 17.2422 -55.0924 19.8971 4.96486 -20.4463 -56.4938 -17.1941 27.7989 TIMING: 729200 CPU: 2365.8, 0.00314125/step Wall: 2365.8, 0.00314125/step, 3.72657 hours remaining, 230.886719 MB of memory in use. ENERGY: 729200 3986.6708 20605.2375 14511.4973 261.4407 -203437.4838 2397.4278 0.0000 0.0000 51922.6448 -109752.5648 298.4002 -161675.2096 -109401.5888 299.4825 7.1789 33.3056 760243.8618 14.9814 14.9612 PRESSURE: 729400 -34.1033 115.056 -138.196 115.056 76.2964 98.0351 -138.196 98.0347 -200.406 GPRESSURE: 729400 -48.4788 62.5122 -20.9761 100.222 134.154 141.152 -84.5285 128.631 -163.069 PRESSAVG: 729400 -25.8179 -42.5948 -20.2624 -42.5947 -0.570949 1.98903 -20.2624 1.98902 8.34823 GPRESSAVG: 729400 -26.5301 -41.7463 -20.6762 -46.2032 0.620324 3.93313 -19.5732 0.387396 7.79849 TIMING: 729400 CPU: 2366.43, 0.00313327/step Wall: 2366.43, 0.00313327/step, 3.71693 hours remaining, 230.886719 MB of memory in use. ENERGY: 729400 3946.7937 20620.2057 14450.5319 250.1062 -203512.5810 2394.3201 0.0000 0.0000 52204.3956 -109646.2277 300.0194 -161850.6233 -109299.4129 299.5930 -52.7376 -25.7979 760728.8822 -6.0135 -6.0371 PRESSURE: 729600 -365.224 -152.5 -11.5634 -152.5 194.407 -108.121 -11.5633 -108.12 25.9973 GPRESSURE: 729600 -271.93 -93.1652 -81.9642 -192.928 204.629 -43.2942 -3.28115 -50.6087 24.6094 PRESSAVG: 729600 -38.5587 -54.9637 -35.1227 -54.9637 81.6842 -56.5292 -35.1227 -56.5291 5.33209 GPRESSAVG: 729600 -38.8683 -55.6368 -33.1212 -52.1037 81.9425 -57.6659 -36.1705 -56.4098 5.67217 TIMING: 729600 CPU: 2367.06, 0.00313869/step Wall: 2367.06, 0.00313869/step, 3.72318 hours remaining, 231.089844 MB of memory in use. ENERGY: 729600 4085.3970 20272.5884 14456.7574 237.3371 -203344.2348 2438.5867 0.0000 0.0000 51951.2172 -109902.3510 298.5644 -161853.5682 -109536.3754 299.5497 -48.2733 -14.2305 759691.6483 16.1525 16.2488 PRESSURE: 729800 -145.881 -74.8551 -59.1773 -74.8539 210.888 -94.8539 -59.1771 -94.855 -239.962 GPRESSURE: 729800 -61.7328 137.112 -20.9627 -89.095 194.303 -2.17455 -82.0025 -24.7459 -212.154 PRESSAVG: 729800 -31.5327 -18.9991 12.5027 -18.9991 37.7625 2.8174 12.5027 2.81728 12.5697 GPRESSAVG: 729800 -31.0154 -19.4771 8.57869 -18.9134 36.973 2.77436 13.6998 4.49391 12.0696 TIMING: 729800 CPU: 2367.69, 0.00313742/step Wall: 2367.69, 0.00313742/step, 3.7215 hours remaining, 231.089844 MB of memory in use. ENERGY: 729800 3941.1684 20425.3636 14527.1722 247.4483 -203456.9793 2525.5780 0.0000 0.0000 51744.6492 -110045.5995 297.3772 -161790.2487 -109689.1507 298.2450 -58.3182 -26.5280 761009.7661 6.2665 6.0091 PRESSURE: 730000 -290.769 6.46765 112.3 6.4676 -42.7496 367.517 112.3 367.517 -284.216 GPRESSURE: 730000 -226.957 31.8438 -36.4985 21.4042 -16.1429 370.043 116.889 269.879 -277.601 PRESSAVG: 730000 8.71778 -22.0236 -4.69443 -22.0236 -17.4137 14.1874 -4.69442 14.1874 -14.0336 GPRESSAVG: 730000 8.47878 -22.136 -3.53419 -20.6105 -17.7401 12.9343 -5.1327 13.3723 -13.396 TIMING: 730000 CPU: 2368.32, 0.00315859/step Wall: 2368.32, 0.00315859/step, 3.74644 hours remaining, 231.089844 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: 730000 4075.9507 20506.8605 14475.7121 248.7265 -203511.9561 2265.3910 0.0000 0.0000 51844.0652 -110095.2501 297.9486 -161939.3153 -109740.4437 298.3008 -205.9113 -173.5669 760350.3695 -7.5765 -7.5524 PRESSURE: 730200 194.039 -191.035 -353.925 -191.035 114.14 2.81964 -353.924 2.81938 71.9732 GPRESSURE: 730200 149.794 -210.558 -341.33 -136.559 147.179 -12.3915 -250.015 70.1375 176.882 PRESSAVG: 730200 41.7424 -58.4344 -9.68632 -58.4344 -11.9311 10.0402 -9.68636 10.0402 11.128 GPRESSAVG: 730200 41.4061 -57.3783 -9.31158 -59.3762 -11.6834 9.32429 -10.0625 12.39 11.3717 TIMING: 730200 CPU: 2368.95, 0.00314216/step Wall: 2368.95, 0.00314216/step, 3.72677 hours remaining, 231.089844 MB of memory in use. ENERGY: 730200 3984.7482 20506.5375 14397.5682 279.6934 -204372.7449 2830.6604 0.0000 0.0000 52053.3642 -110320.1731 299.1514 -162373.5374 -109965.9038 298.1946 126.7175 157.9517 758613.4014 13.6465 13.6981 PRESSURE: 730400 107.503 281.639 205.134 281.638 101.566 99.1352 205.133 99.1358 164.924 GPRESSURE: 730400 149.977 379.108 246.778 170.813 87.5299 20.9792 186.556 105.576 214.389 PRESSAVG: 730400 -18.5779 13.8349 -33.5053 13.835 7.91982 -11.129 -33.5052 -11.1291 -8.46177 GPRESSAVG: 730400 -17.0528 13.475 -32.7418 13.3764 6.72252 -9.61174 -30.7447 -12.5514 -8.84367 TIMING: 730400 CPU: 2369.57, 0.00313368/step Wall: 2369.57, 0.00313368/step, 3.71654 hours remaining, 231.089844 MB of memory in use. ENERGY: 730400 4031.4441 20459.5627 14374.8710 237.3214 -203660.9337 2547.8721 0.0000 0.0000 51878.3525 -110131.5099 298.1456 -162009.8624 -109777.4374 298.0413 124.6645 150.6321 761630.9885 -6.3733 -6.3913 PRESSURE: 730600 341.31 -97.3843 -85.0453 -97.3839 222.087 144.499 -85.0462 144.499 46.5402 GPRESSURE: 730600 392.194 -20.5806 -105.535 -236.332 267.603 86.7556 -80.0603 179.376 21.5181 PRESSAVG: 730600 35.1718 -18.3066 -16.0641 -18.3066 5.40154 55.5374 -16.0641 55.5373 -3.20775 GPRESSAVG: 730600 35.1204 -18.3668 -19.2703 -17.2118 6.13175 55.1974 -17.4416 55.0275 -4.00308 TIMING: 730600 CPU: 2370.2, 0.00313922/step Wall: 2370.2, 0.00313922/step, 3.72294 hours remaining, 231.089844 MB of memory in use. ENERGY: 730600 3971.5572 20444.1773 14529.4170 245.1710 -203964.2650 2769.9342 0.0000 0.0000 51993.2147 -110010.7935 298.8057 -162004.0083 -109640.6920 298.7433 203.3124 227.1051 758846.4018 12.4552 12.4164 PRESSURE: 730800 172.806 165.583 264.978 165.582 -65.4729 -109.581 264.978 -109.581 -275.765 GPRESSURE: 730800 175.84 23.5159 228.553 147.827 -89.9007 -58.0688 257.327 -117.01 -179.625 PRESSAVG: 730800 1.30919 -27.239 41.7713 -27.239 12.9912 -8.25725 41.7714 -8.25724 19.2442 GPRESSAVG: 730800 0.305264 -27.1243 42.9498 -28.3721 13.1309 -8.01673 41.7783 -6.7333 19.741 TIMING: 730800 CPU: 2370.83, 0.0031341/step Wall: 2370.83, 0.0031341/step, 3.7167 hours remaining, 231.089844 MB of memory in use. ENERGY: 730800 3951.6459 20600.7531 14484.0623 261.1034 -203414.7113 2406.1064 0.0000 0.0000 51810.2163 -109900.8238 297.7540 -161711.0402 -109549.7295 298.5050 -56.1442 -31.2286 760935.2859 11.1815 11.0591 PRESSURE: 731000 -413.024 -0.87235 -38.2463 -0.872075 -267.818 -75.184 -38.2463 -75.1826 161.034 GPRESSURE: 731000 -298.723 -95.2423 -98.2843 -53.6351 -264.855 -52.0414 -105.57 -158.123 133.807 PRESSAVG: 731000 -47.7085 -23.3864 29.616 -23.3864 19.2499 -33.1379 29.616 -33.1379 1.24141 GPRESSAVG: 731000 -47.237 -24.9756 30.5381 -22.3437 19.2327 -33.8366 27.5843 -34.4904 1.06454 TIMING: 731000 CPU: 2371.45, 0.00313016/step Wall: 2371.45, 0.00313016/step, 3.71184 hours remaining, 231.089844 MB of memory in use. ENERGY: 731000 4029.8368 20383.7545 14440.2215 266.6960 -203709.9974 2568.6611 0.0000 0.0000 52068.4024 -109952.4251 299.2378 -162020.8275 -109589.1506 298.8304 -173.2695 -143.2568 760340.1469 -9.0724 -8.9799 PRESSURE: 731200 233.461 -25.1092 -35.774 -25.1091 -168.294 236.406 -35.7744 236.407 -69.0289 GPRESSURE: 731200 226.66 165.108 -25.3179 16.4505 6.00036 336.55 27.6898 162.408 -110.796 PRESSAVG: 731200 0.684893 -14.5159 5.07116 -14.5159 -37.4053 13.4549 5.07115 13.455 -2.68161 GPRESSAVG: 731200 0.0440121 -12.2085 6.12532 -14.5862 -37.3102 15.2433 5.81285 13.5438 -3.10919 TIMING: 731200 CPU: 2372.08, 0.00312837/step Wall: 2372.08, 0.00312837/step, 3.70955 hours remaining, 231.089844 MB of memory in use. ENERGY: 731200 4027.3399 20368.5973 14374.0103 249.3053 -204160.2400 3034.4880 0.0000 0.0000 52265.7627 -109840.7366 300.3721 -162106.4993 -109469.6688 299.3131 -1.2873 40.6216 760352.4630 -13.1340 -13.4585 PRESSURE: 731400 141.745 -152.938 -120.723 -152.939 -37.0654 -55.3173 -120.723 -55.3161 273.627 GPRESSURE: 731400 103.621 -48.1802 -42.2309 -102.776 116.547 6.52808 -238.29 -168.554 256.024 PRESSAVG: 731400 -11.7702 -26.3309 20.3864 -26.3308 12.1505 38.6935 20.3863 38.6935 -9.74909 GPRESSAVG: 731400 -11.8208 -27.5549 19.9084 -27.5254 11.7952 38.0737 22.1897 38.251 -9.58171 TIMING: 731400 CPU: 2372.71, 0.00313278/step Wall: 2372.71, 0.00313278/step, 3.71461 hours remaining, 231.089844 MB of memory in use. ENERGY: 731400 3968.5076 20532.2346 14512.7115 259.7794 -203653.3305 2658.7628 0.0000 0.0000 51941.9545 -109779.3801 298.5111 -161721.3345 -109421.2832 298.8748 126.1021 158.7305 761019.2683 -3.1229 -3.2024 PRESSURE: 731600 16.1342 -57.3237 170.912 -57.3237 -234.9 -15.1209 170.912 -15.1217 -186.456 GPRESSURE: 731600 -6.36619 -51.8958 104.517 -51.976 -122.608 -94.8788 131.157 -90.3021 -195.42 PRESSAVG: 731600 -49.6191 -50.19 -28.0918 -50.19 20.6398 -43.9298 -28.0918 -43.9298 44.2791 GPRESSAVG: 731600 -49.8913 -48.7128 -29.1482 -50.3646 21.3645 -44.6858 -28.36 -40.7958 43.6286 TIMING: 731600 CPU: 2373.34, 0.00315804/step Wall: 2373.34, 0.00315804/step, 3.74438 hours remaining, 231.089844 MB of memory in use. ENERGY: 731600 3990.9807 20475.8016 14539.6397 242.1595 -203479.7125 2570.8020 0.0000 0.0000 51786.1960 -109874.1330 297.6160 -161660.3290 -109532.2145 298.9845 -135.0739 -108.1317 760673.4433 5.0999 5.0339 PRESSURE: 731800 -366.009 61.4882 45.7057 61.4874 55.5031 -53.5269 45.7057 -53.5278 286.636 GPRESSURE: 731800 -156.325 46.4957 33.5974 73.6358 -58.3074 -27.703 60.2459 112.506 286.947 PRESSAVG: 731800 -45.8362 -8.1295 43.617 -8.12953 33.4822 -39.3852 43.6169 -39.3853 7.52937 GPRESSAVG: 731800 -46.276 -8.63028 42.3228 -7.18191 33.9446 -37.5489 45.0557 -40.4911 7.34772 TIMING: 731800 CPU: 2373.97, 0.00315581/step Wall: 2373.97, 0.00315581/step, 3.74156 hours remaining, 231.089844 MB of memory in use. ENERGY: 731800 4003.9173 20502.6962 14478.6748 242.1815 -203154.8793 2323.3730 0.0000 0.0000 51835.8047 -109768.2318 297.9011 -161604.0365 -109414.7326 298.9422 -7.9563 24.1050 761433.9588 -1.6082 -1.6613 PRESSURE: 732000 -40.659 -66.9817 59.2306 -66.9808 -76.8068 121.803 59.2298 121.803 -105.596 GPRESSURE: 732000 -36.3248 -81.6173 59.798 -58.4742 -3.25525 85.282 121.998 52.2869 -94.5074 PRESSAVG: 732000 25.4871 -13.1817 66.2635 -13.1818 -61.701 -14.0973 66.2635 -14.0973 9.74117 GPRESSAVG: 732000 26.2953 -13.8299 69.7799 -13.7559 -61.0527 -14.8141 64.6369 -16.3265 8.56217 TIMING: 732000 CPU: 2374.6, 0.00316193/step Wall: 2374.6, 0.00316193/step, 3.74864 hours remaining, 231.089844 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: 732000 3972.0163 20590.3167 14436.0490 245.0997 -203484.8198 2452.1190 0.0000 0.0000 52167.4751 -109621.7440 299.8072 -161789.2191 -109260.8883 299.6296 -74.3541 -44.6958 761269.7369 -8.8243 -8.7317 PRESSURE: 732200 -39.353 -90.3137 -13.8242 -90.3134 130.965 -183.41 -13.8242 -183.409 310.466 GPRESSURE: 732200 -17.7757 -94.1226 22.2881 -181.639 199.103 -211.081 30.231 -287.094 289.47 PRESSAVG: 732200 47.2357 -31.018 46.1365 -31.0179 -47.6699 7.8054 46.1365 7.80544 -12.0107 GPRESSAVG: 732200 46.0098 -31.6917 45.297 -30.7696 -49.2744 7.38793 45.2375 7.83095 -9.1682 TIMING: 732200 CPU: 2375.23, 0.00314264/step Wall: 2375.23, 0.00314264/step, 3.7256 hours remaining, 231.089844 MB of memory in use. ENERGY: 732200 3938.6845 20583.9739 14442.0970 243.7140 -203745.4176 2736.7128 0.0000 0.0000 52116.7574 -109683.4781 299.5157 -161800.2355 -109319.6388 299.0700 134.0261 156.9323 759246.1385 -4.1483 -4.1443 LDB: ============= START OF LOAD BALANCING ============== 2387.65 LDB: ============== END OF LOAD BALANCING =============== 2387.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2387.66 LDB: ============= START OF LOAD BALANCING ============== 2387.97 LDB: Largest compute 7025 load 0.034366 is 17.6% of average load 0.195130 LDB: Average compute 0.004380 is 2.2% of average load 0.195130 LDB: TIME 2387.97 LOAD: AVG 0.19513 MAX 0.213975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 2387.98 LOAD: AVG 0.19513 MAX 0.213975 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.586 MB LDB: TIME 2387.98 LOAD: AVG 0.19513 MAX 0.213975 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.586 MB LDB: ============== END OF LOAD BALANCING =============== 2387.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2387.98 PRESSURE: 732400 -198.566 37.5986 -81.6756 37.5998 113.678 -73.1958 -81.6758 -73.1949 -95.4241 GPRESSURE: 732400 -89.1498 79.559 -35.3491 64.0216 56.0441 -112.722 -190.74 -34.5952 -82.511 PRESSAVG: 732400 25.9192 -42.2436 -49.1908 -42.2436 -13.1461 15.1239 -49.1908 15.124 -4.36097 GPRESSAVG: 732400 27.131 -43.0195 -50.0876 -42.8909 -13.5628 16.2175 -48.3038 14.7887 -5.11558 TIMING: 732400 CPU: 2375.88, 0.00323276/step Wall: 2375.88, 0.00323276/step, 3.83226 hours remaining, 231.839844 MB of memory in use. ENERGY: 732400 3965.5848 20566.3226 14464.9796 267.1179 -203423.6724 2201.5812 0.0000 0.0000 52396.1919 -109561.8945 301.1216 -161958.0864 -109208.3199 299.7316 -60.1041 -38.5389 760234.3338 2.8040 2.8175 PRESSURE: 732600 -410.479 -51.9559 237.784 -51.9561 -481.932 74.1 237.784 74.1018 71.0059 GPRESSURE: 732600 -453.965 -152.164 284.349 -91.6891 -333.768 52.21 205.109 127.892 43.197 PRESSAVG: 732600 35.9503 31.1115 -12.2974 31.1115 -58.1717 -12.7963 -12.2974 -12.7962 -19.3675 GPRESSAVG: 732600 36.4799 32.6491 -11.6111 32.3673 -58.6566 -12.4876 -11.7171 -10.7823 -19.6145 TIMING: 732600 CPU: 2376.5, 0.00314062/step Wall: 2376.5, 0.00314062/step, 3.72286 hours remaining, 232.039062 MB of memory in use. ENERGY: 732600 4035.3001 20727.4250 14535.0869 235.7041 -203218.3223 2340.1011 0.0000 0.0000 51801.6997 -109543.0053 297.7051 -161344.7050 -109186.5271 299.3104 -273.8015 -248.1786 761285.2453 -13.8630 -13.9304 PRESSURE: 732800 -79.7051 71.8449 -48.5189 71.8454 19.8251 78.9677 -48.5187 78.9691 -181.54 GPRESSURE: 732800 -8.50419 105.402 -80.4144 42.7892 83.8668 55.5747 -47.4589 141.065 -225.063 PRESSAVG: 732800 9.7595 60.9193 -39.3274 60.9193 -31.1138 17.652 -39.3274 17.652 -0.00451192 GPRESSAVG: 732800 9.32055 59.8003 -40.7895 58.7691 -30.539 16.7146 -40.6754 17.897 0.255829 TIMING: 732800 CPU: 2377.13, 0.00314484/step Wall: 2377.13, 0.00314484/step, 3.72768 hours remaining, 232.039062 MB of memory in use. ENERGY: 732800 3963.7183 20571.3858 14480.9885 240.4335 -203061.9800 2279.2198 0.0000 0.0000 51954.4473 -109571.7868 298.5829 -161526.2341 -109211.9916 298.9357 -80.4734 -49.9002 761284.7621 -7.1196 -6.9875 PRESSURE: 733000 -195.826 -178.41 217.339 -178.41 -168.73 -88.0375 217.338 -88.0378 100.104 GPRESSURE: 733000 -42.0902 -96.2639 116.182 1.62441 -225.645 -38.8325 113.136 33.0718 82.6262 PRESSAVG: 733000 26.9548 42.2662 -19.3402 42.2662 -72.6281 53.7517 -19.3401 53.7518 -26.7669 GPRESSAVG: 733000 29.1042 44.2646 -20.6939 44.2629 -73.663 53.4443 -19.1403 53.7737 -27.77 TIMING: 733000 CPU: 2377.76, 0.00314055/step Wall: 2377.76, 0.00314055/step, 3.72243 hours remaining, 232.039062 MB of memory in use. ENERGY: 733000 4018.5846 20482.5660 14474.1298 253.4081 -203395.2907 2481.2819 0.0000 0.0000 52044.1722 -109641.1481 299.0986 -161685.3203 -109277.9345 298.8438 -88.1508 -61.7030 760489.4296 -24.1467 -24.1096 PRESSURE: 733200 -63.154 -13.2262 4.80629 -13.2247 94.9902 1.28121 4.80627 1.28235 96.1134 GPRESSURE: 733200 -84.5711 2.3054 -16.2215 -24.7928 127.692 -29.0724 66.7236 65.0563 146.484 PRESSAVG: 733200 20.8115 6.77024 -30.82 6.77025 -4.67736 -30.567 -30.82 -30.5671 -11.1566 GPRESSAVG: 733200 19.3044 6.47421 -29.5724 6.36718 -3.70732 -29.6976 -28.5375 -31.2563 -10.9491 TIMING: 733200 CPU: 2378.39, 0.00315001/step Wall: 2378.39, 0.00315001/step, 3.73346 hours remaining, 232.039062 MB of memory in use. ENERGY: 733200 3960.3813 20333.3391 14513.3212 247.2761 -203286.0773 2425.7281 0.0000 0.0000 51902.5917 -109903.4398 298.2849 -161806.0315 -109531.1392 299.0228 42.6498 63.2015 761396.2250 1.6592 1.5493 PRESSURE: 733400 294.856 -11.9186 93.1753 -11.9194 -295.646 -105.583 93.176 -105.584 539.187 GPRESSURE: 733400 317.088 -5.71107 -38.183 1.49045 -163.253 -146.591 176.708 -53.9142 455.529 PRESSAVG: 733400 68.5967 -17.2114 -28.4899 -17.2114 -69.5444 13.127 -28.4898 13.1271 -8.83935 GPRESSAVG: 733400 68.5305 -17.8985 -27.9054 -17.1559 -69.3945 12.8305 -31.515 13.7014 -9.02136 TIMING: 733400 CPU: 2379.02, 0.00314696/step Wall: 2379.02, 0.00314696/step, 3.72967 hours remaining, 232.039062 MB of memory in use. ENERGY: 733400 3992.0796 20539.4288 14547.6947 248.2725 -204067.4039 2637.2921 0.0000 0.0000 51952.6305 -110150.0057 298.5725 -162102.6362 -109789.4554 298.3705 179.4658 203.1214 758716.3835 -3.2624 -3.2951 PRESSURE: 733600 151.549 151.058 -149.635 151.058 -3.52561 -233.227 -149.635 -233.227 -372.255 GPRESSURE: 733600 122.867 165.15 -108.363 48.2113 19.7613 -212.185 -125.685 -164.553 -281.583 PRESSAVG: 733600 69.2888 55.1356 -13.1087 55.1356 -39.8991 2.84415 -13.1088 2.84416 15.2374 GPRESSAVG: 733600 68.2663 56.1464 -13.9699 54.401 -40.3289 3.35028 -12.674 1.44351 17.1508 TIMING: 733600 CPU: 2379.65, 0.00316733/step Wall: 2379.65, 0.00316733/step, 3.75364 hours remaining, 232.039062 MB of memory in use. ENERGY: 733600 4016.9556 20479.2369 14446.6438 237.5614 -203839.0883 2728.1871 0.0000 0.0000 52084.5391 -109845.9644 299.3306 -161930.5034 -109480.8656 298.3902 -74.7441 -46.3184 759957.3625 14.8757 15.0294 PRESSURE: 733800 -241.281 -44.1506 283.364 -44.1503 -47.6727 -145.637 283.364 -145.637 114.529 GPRESSURE: 733800 -185.802 -155.501 318.571 -53.1987 -9.4308 -113.875 198.256 -199.3 96.7059 PRESSAVG: 733800 -64.0596 45.067 43.8932 45.067 -20.2152 -2.14367 43.8933 -2.14372 -4.67375 GPRESSAVG: 733800 -62.9842 43.7209 45.1554 45.9169 -20.075 -1.64452 44.5896 -2.08325 -6.09437 TIMING: 733800 CPU: 2380.29, 0.00316907/step Wall: 2380.29, 0.00316907/step, 3.75553 hours remaining, 232.039062 MB of memory in use. ENERGY: 733800 3974.2684 20370.9359 14487.1930 242.5571 -203737.1680 2861.8506 0.0000 0.0000 51986.3345 -109814.0283 298.7662 -161800.3629 -109443.8893 299.1099 -58.1418 -32.8422 762885.6432 -29.6495 -29.7178 PRESSURE: 734000 96.4467 -52.7627 130.056 -52.7627 99.5142 -14.0175 130.057 -14.0169 -25.3879 GPRESSURE: 734000 137.02 109.756 178.649 -34.2059 179.676 -78.2359 -0.504053 -39.7299 -62.423 PRESSAVG: 734000 43.8881 0.409975 -25.8126 0.410008 -22.4279 38.2103 -25.8126 38.2103 20.7118 GPRESSAVG: 734000 42.4842 -0.529289 -25.5617 1.98511 -22.1375 36.6019 -27.6109 38.8155 21.5813 TIMING: 734000 CPU: 2380.92, 0.00315718/step Wall: 2380.92, 0.00315718/step, 3.74126 hours remaining, 232.039062 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: 734000 3983.9067 20572.0654 14445.9771 249.1971 -203654.1708 2712.4880 0.0000 0.0000 52160.3474 -109530.1890 299.7662 -161690.5365 -109170.0834 299.2085 56.8577 84.7577 760965.3026 14.0573 13.9760 PRESSURE: 734200 -105.176 60.7474 -329.303 60.7476 339.304 51.4306 -329.304 51.4305 304.655 GPRESSURE: 734200 5.77913 56.3068 -392.953 53.4743 350.467 -27.997 -315.706 120.062 283.408 PRESSAVG: 734200 -7.88389 -61.328 -86.402 -61.3281 36.0405 2.18671 -86.4021 2.18669 -6.52827 GPRESSAVG: 734200 -8.729 -59.7657 -88.1005 -63.8677 36.6061 2.37063 -84.5415 2.14665 -6.37001 TIMING: 734200 CPU: 2381.55, 0.00313943/step Wall: 2381.55, 0.00313944/step, 3.72006 hours remaining, 232.039062 MB of memory in use. ENERGY: 734200 3933.4439 20309.6672 14451.5004 258.4207 -203589.5304 2860.5512 0.0000 0.0000 52153.1354 -109622.8115 299.7248 -161775.9470 -109251.3275 299.5118 179.5943 213.2183 761095.0579 7.2094 7.1690 PRESSURE: 734400 -77.6879 -72.0737 -239.924 -72.0749 229.599 -159.298 -239.923 -159.298 44.2009 GPRESSURE: 734400 8.04192 -20.8804 -248.274 101.601 241.257 -168.929 -112.518 -88.9895 32.5054 PRESSAVG: 734400 -47.6549 16.2435 -12.4006 16.2435 26.6535 -37.9826 -12.4006 -37.9825 -22.8514 GPRESSAVG: 734400 -45.8695 15.707 -10.7522 18.9936 24.4196 -37.867 -12.772 -36.768 -22.5912 TIMING: 734400 CPU: 2382.18, 0.00314029/step Wall: 2382.18, 0.00314029/step, 3.7209 hours remaining, 232.039062 MB of memory in use. ENERGY: 734400 3952.0249 20420.8615 14524.6627 243.5835 -203255.0051 2233.7912 0.0000 0.0000 51764.0569 -110116.0243 297.4887 -161880.0813 -109743.7969 298.4113 65.3706 93.9349 761483.8153 -14.6176 -14.6804 PRESSURE: 734600 -617.653 -103.266 21.4021 -103.265 -149.928 -100.8 21.4019 -100.801 -296.813 GPRESSURE: 734600 -677.438 -73.54 -67.6514 -158.469 -74.6944 -208.281 9.89379 -114.201 -221.945 PRESSAVG: 734600 -17.0184 -68.9927 -4.80751 -68.9927 -22.2828 -11.7813 -4.80745 -11.7814 -36.4141 GPRESSAVG: 734600 -17.8712 -69.0995 -4.68461 -70.1318 -21.34 -11.7243 -4.69266 -12.5792 -36.4926 TIMING: 734600 CPU: 2382.8, 0.00314547/step Wall: 2382.8, 0.00314547/step, 3.72686 hours remaining, 232.039062 MB of memory in use. ENERGY: 734600 4039.7128 20493.4148 14513.3538 259.0714 -203328.6646 2203.9395 0.0000 0.0000 51870.9388 -109948.2335 298.1030 -161819.1722 -109587.7195 298.5601 -354.7980 -324.6924 761134.5487 -25.2384 -25.2346 PRESSURE: 734800 93.9876 39.6045 -420.922 39.6043 -46.8905 -98.7743 -420.922 -98.7746 -250.657 GPRESSURE: 734800 32.3462 -16.4584 -400.675 19.6408 17.1458 -171.139 -264.695 7.39785 -177.85 PRESSAVG: 734800 -29.2915 -22.3441 6.23052 -22.3441 20.5636 -24.431 6.23059 -24.431 20.5193 GPRESSAVG: 734800 -28.9989 -20.8808 6.14587 -24.1399 21.1974 -24.9078 5.55503 -24.5009 19.4742 TIMING: 734800 CPU: 2383.43, 0.0031407/step Wall: 2383.43, 0.0031407/step, 3.72104 hours remaining, 232.039062 MB of memory in use. ENERGY: 734800 4021.9474 20651.4218 14442.2454 227.6408 -203574.4634 2464.3748 0.0000 0.0000 51798.9222 -109967.9109 297.6891 -161766.8331 -109612.3772 298.6026 -67.8533 -42.7861 758883.9072 3.9305 3.8909 PRESSURE: 735000 251.918 -164.345 -98.1722 -164.345 112.644 49.1922 -98.1731 49.1916 -111.945 GPRESSURE: 735000 298.975 -93.6287 -122.833 -256.925 187.788 86.1826 -92.2657 35.6408 -157.518 PRESSAVG: 735000 -13.295 -11.5036 -46.9269 -11.5036 46.0572 -10.899 -46.9268 -10.8989 20.5072 GPRESSAVG: 735000 -13.0586 -10.8621 -47.7064 -11.9915 45.5851 -10.2333 -46.5919 -10.0984 20.8587 TIMING: 735000 CPU: 2384.06, 0.00315276/step Wall: 2384.06, 0.00315276/step, 3.73514 hours remaining, 232.039062 MB of memory in use. ENERGY: 735000 4005.1773 20324.2150 14446.2100 264.2397 -203822.7484 2631.3274 0.0000 0.0000 51984.9333 -110166.6456 298.7581 -162151.5789 -109803.3331 298.3900 84.2055 109.7484 758911.0892 17.7565 17.7951 PRESSURE: 735200 360.973 -29.4337 193.551 -29.4319 10.0118 -80.9492 193.552 -80.9499 206.555 GPRESSURE: 735200 288.939 -73.2475 163.83 -12.8863 140.339 -43.0326 322.936 -54.3763 211.501 PRESSAVG: 735200 -20.4309 -18.7924 6.97771 -18.7924 23.5864 -32.1632 6.97775 -32.1632 35.112 GPRESSAVG: 735200 -21.0215 -21.4059 6.91146 -16.7837 23.1016 -32.1096 8.79433 -34.0597 35.832 TIMING: 735200 CPU: 2384.7, 0.00315812/step Wall: 2384.7, 0.00315812/step, 3.74131 hours remaining, 232.039062 MB of memory in use. ENERGY: 735200 4036.4515 20507.8593 14523.1556 244.4453 -203536.4108 2627.4399 0.0000 0.0000 51838.3436 -109758.7156 297.9157 -161597.0592 -109399.7229 298.5139 192.5131 213.5928 758961.0044 12.7559 12.6374 PRESSURE: 735400 -30.5243 -124.399 18.1126 -124.399 -18.1076 -37.2129 18.113 -37.2133 -219.247 GPRESSURE: 735400 20.6269 -9.89778 -50.5913 -60.4536 -86.9712 -73.3588 -19.2863 -84.6984 -122.589 PRESSAVG: 735400 -15.0932 18.6651 -34.771 18.665 -25.5183 -2.35301 -34.771 -2.35295 -8.35688 GPRESSAVG: 735400 -15.8246 17.6521 -33.9587 19.3956 -24.4104 -1.85016 -36.3796 -0.580853 -8.29596 TIMING: 735400 CPU: 2385.33, 0.00316647/step Wall: 2385.33, 0.00316647/step, 3.75103 hours remaining, 232.039062 MB of memory in use. ENERGY: 735400 3974.1301 20550.5322 14435.6409 250.4622 -203411.9996 2355.4501 0.0000 0.0000 52160.6091 -109685.1751 299.7677 -161845.7842 -109324.2483 298.5629 -89.2931 -62.9776 760688.7449 -16.3228 -16.1770 PRESSURE: 735600 -377.55 -33.116 -78.7688 -33.1161 188.522 35.7365 -78.7697 35.7374 -64.1496 GPRESSURE: 735600 -360.305 -58.3205 -89.6842 -124.558 137.064 52.8922 -115.235 -7.36432 47.8007 PRESSAVG: 735600 -42.6677 -16.1441 16.8286 -16.1441 42.8012 25.6094 16.8286 25.6093 -0.939277 GPRESSAVG: 735600 -41.8526 -13.5477 18.0463 -18.337 41.4152 25.6168 13.7661 26.2374 -0.390197 TIMING: 735600 CPU: 2385.96, 0.00316781/step Wall: 2385.96, 0.00316781/step, 3.75245 hours remaining, 232.039062 MB of memory in use. ENERGY: 735600 3962.1182 20279.5512 14521.3260 251.2223 -203575.3365 2644.2084 0.0000 0.0000 52041.8961 -109875.0143 299.0855 -161916.9104 -109523.6901 298.4443 -84.3925 -58.4800 760833.7175 -0.2686 -0.2759 PRESSURE: 735800 -41.1258 203.912 -152.33 203.912 -325.912 -23.6402 -152.331 -23.6396 -165.855 GPRESSURE: 735800 -19.7265 157.161 -170.269 116.232 -266.239 22.0201 -147.422 28.6793 -168.834 PRESSAVG: 735800 -44.9172 13.1629 -32.9422 13.1629 17.8064 -66.8316 -32.9423 -66.8316 22.0054 GPRESSAVG: 735800 -46.0747 12.1402 -34.9051 14.3055 20.0301 -65.405 -29.4588 -67.8508 21.6805 TIMING: 735800 CPU: 2386.6, 0.00316565/step Wall: 2386.6, 0.00316565/step, 3.74971 hours remaining, 232.039062 MB of memory in use. ENERGY: 735800 4033.7585 20480.3978 14519.0810 253.8869 -203368.2889 2340.3334 0.0000 0.0000 51912.8335 -109827.9977 298.3438 -161740.8312 -109473.1360 298.7812 -177.6309 -151.6000 760848.1712 -1.7018 -1.4547 PRESSURE: 736000 -477.676 -131.537 -141.416 -131.537 -166.957 -232.746 -141.416 -232.745 7.96813 GPRESSURE: 736000 -381.504 -210.81 -167.316 -100.039 -120.083 -149.746 -181.699 -146.889 -37.9568 PRESSAVG: 736000 -9.42828 7.08541 14.8733 7.08538 13.6408 37.1585 14.8732 37.1585 10.0219 GPRESSAVG: 736000 -8.71241 5.70681 15.7139 8.52939 12.7482 34.7554 14.9177 38.5646 10.4057 TIMING: 736000 CPU: 2387.23, 0.00317753/step Wall: 2387.23, 0.00317753/step, 3.76361 hours remaining, 232.039062 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: 736000 3978.9337 20411.3541 14495.9294 231.7747 -203630.6650 2451.3095 0.0000 0.0000 52012.0428 -110049.3207 298.9139 -162061.3635 -109699.5026 298.3267 -212.2218 -179.8478 761495.7822 4.7448 4.8138 PRESSURE: 736200 93.5992 133.289 -231.171 133.289 50.4928 -216.953 -231.172 -216.951 -145.614 GPRESSURE: 736200 212.039 47.5106 -151.43 32.5183 -4.90349 -227.337 -261.151 -206.693 -118.82 PRESSAVG: 736200 -8.88942 -28.149 -25.5175 -28.149 -15.4468 -14.8755 -25.5176 -14.8755 18.1622 GPRESSAVG: 736200 -8.93274 -26.8978 -25.3032 -29.7358 -15.3181 -14.8222 -25.9594 -15.9943 17.8412 TIMING: 736200 CPU: 2387.86, 0.00314032/step Wall: 2387.86, 0.00314032/step, 3.71936 hours remaining, 232.039062 MB of memory in use. ENERGY: 736200 3993.4633 20478.6651 14474.2025 254.5123 -203814.8225 2502.7727 0.0000 0.0000 51959.1857 -110152.0210 298.6102 -162111.2066 -109791.8062 298.2756 -0.5075 29.4385 759087.6466 -2.0580 -2.1365 LDB: ============= START OF LOAD BALANCING ============== 2400.28 LDB: ============== END OF LOAD BALANCING =============== 2400.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2400.28 LDB: ============= START OF LOAD BALANCING ============== 2400.6 LDB: Largest compute 7025 load 0.034177 is 17.5% of average load 0.195050 LDB: Average compute 0.004378 is 2.2% of average load 0.195050 LDB: TIME 2400.6 LOAD: AVG 0.19505 MAX 0.215836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 2400.6 LOAD: AVG 0.19505 MAX 0.215836 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: TIME 2400.6 LOAD: AVG 0.19505 MAX 0.215836 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.098 MB LDB: ============== END OF LOAD BALANCING =============== 2400.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2400.61 PRESSURE: 736400 58.2781 40.9151 -111.62 40.9144 118.787 -123.285 -111.621 -123.285 463.125 GPRESSURE: 736400 147.058 1.37421 -67.0972 -45.7451 107.004 -112.752 -99.9547 -273.258 460.704 PRESSAVG: 736400 -14.3088 7.08902 -30.39 7.08905 41.4921 -9.82426 -30.39 -9.82436 6.45296 GPRESSAVG: 736400 -12.6788 6.69564 -29.7178 6.87544 40.4426 -10.7 -30.4161 -9.91399 5.33676 TIMING: 736400 CPU: 2388.5, 0.0032193/step Wall: 2388.5, 0.00321931/step, 3.81273 hours remaining, 230.925781 MB of memory in use. ENERGY: 736400 3932.6208 20449.3987 14438.0222 241.6290 -203949.9872 2809.6649 0.0000 0.0000 51933.1403 -110145.5112 298.4605 -162078.6515 -109789.2997 298.5309 213.3966 238.2554 759431.4773 11.2121 11.0335 PRESSURE: 736600 -268.347 -233.95 -36.8876 -233.95 -259.825 -10.1332 -36.8875 -10.1333 503.769 GPRESSURE: 736600 -256.705 -208.568 -143.772 -114.836 -207.682 -14.5995 -53.4676 -83.126 515.256 PRESSAVG: 736600 -11.6483 -67.9965 14.3574 -67.9965 58.3319 -42.2973 14.3573 -42.2973 16.8781 GPRESSAVG: 736600 -12.128 -66.9596 11.9362 -66.9732 58.4734 -41.9612 15.2035 -43.1183 17.7005 TIMING: 736600 CPU: 2389.13, 0.00315312/step Wall: 2389.13, 0.00315312/step, 3.73417 hours remaining, 231.125000 MB of memory in use. ENERGY: 736600 3959.8779 20606.8062 14440.3418 250.2475 -203450.0027 2346.2382 0.0000 0.0000 51773.1206 -110073.3707 297.5408 -161846.4913 -109713.3755 298.7089 -8.1345 16.9564 760166.4391 21.1872 21.3486 PRESSURE: 736800 162.584 -70.0372 -92.1332 -70.0373 550.958 58.4596 -92.1332 58.4589 -65.1042 GPRESSURE: 736800 226.577 -25.0743 -98.1921 -83.7241 479.2 129.015 50.087 140.949 29.3327 PRESSAVG: 736800 -97.408 -84.964 -5.55154 -84.964 40.3697 -16.8361 -5.55151 -16.8361 4.25499 GPRESSAVG: 736800 -98.768 -84.7102 -4.69415 -86.2046 39.1326 -16.3753 -3.38507 -14.3135 6.20488 TIMING: 736800 CPU: 2389.77, 0.00316184/step Wall: 2389.77, 0.00316184/step, 3.74432 hours remaining, 231.125000 MB of memory in use. ENERGY: 736800 3881.1332 20433.8713 14462.4254 261.3823 -203955.4563 2642.4376 0.0000 0.0000 51989.1617 -110285.0447 298.7824 -162274.2064 -109927.5203 297.9808 216.1462 245.0363 759890.7760 -17.5944 -17.8102 PRESSURE: 737000 -93.1528 -3.63525 -77.0051 -3.63681 35.1016 24.935 -77.0051 24.9346 95.3404 GPRESSURE: 737000 -90.7833 -129.283 -75.9038 -30.2075 157.419 0.0924833 -30.9017 -15.7692 72.716 PRESSAVG: 737000 0.471917 -9.35122 -23.033 -9.35121 17.0699 -1.23737 -23.033 -1.2375 -5.6822 GPRESSAVG: 737000 1.01406 -9.90645 -21.7042 -7.85647 19.2718 -1.80849 -23.9501 -1.77636 -7.37421 TIMING: 737000 CPU: 2390.4, 0.00315411/step Wall: 2390.4, 0.00315411/step, 3.73499 hours remaining, 231.125000 MB of memory in use. ENERGY: 737000 3935.2665 20451.2472 14486.1156 234.7956 -203532.8581 2480.0349 0.0000 0.0000 51802.6227 -110142.7756 297.7104 -161945.3982 -109794.9961 297.7192 12.4298 46.4504 759274.2506 3.9532 4.3039 PRESSURE: 737200 82.7433 92.4917 -115.688 92.4918 79.6823 29.8027 -115.688 29.8017 71.0058 GPRESSURE: 737200 194.896 154.561 -91.3453 25.9608 100.894 4.74706 -26.7706 35.1894 21.5459 PRESSAVG: 737200 -30.2004 -30.4906 16.4811 -30.4907 6.24074 -19.1502 16.481 -19.1502 0.152194 GPRESSAVG: 737200 -30.6751 -32.8513 16.289 -30.2946 6.85506 -19.1744 15.1758 -20.2936 0.0192262 TIMING: 737200 CPU: 2391.03, 0.00316017/step Wall: 2391.03, 0.00316017/step, 3.742 hours remaining, 231.125000 MB of memory in use. ENERGY: 737200 3985.8136 20597.5977 14488.9310 235.4593 -203674.6888 2200.3988 0.0000 0.0000 51855.9150 -110310.5734 298.0167 -162166.4884 -109952.3293 298.1961 77.8105 105.7785 759581.8656 -7.9358 -7.9336 PRESSURE: 737400 120.934 -69.7899 33.7117 -69.7904 -30.5487 37.3043 33.7113 37.3048 -277.733 GPRESSURE: 737400 72.5449 33.6467 40.669 -5.33079 77.5445 125.97 19.1147 105.251 -254.271 PRESSAVG: 737400 -23.4769 -80.894 -13.1132 -80.894 -23.2194 -20.5416 -13.1132 -20.5416 27.3279 GPRESSAVG: 737400 -23.6528 -78.3199 -12.6829 -82.0065 -23.1324 -19.0927 -11.3388 -20.8273 27.6561 TIMING: 737400 CPU: 2391.67, 0.00318868/step Wall: 2391.67, 0.00318868/step, 3.77558 hours remaining, 231.125000 MB of memory in use. ENERGY: 737400 4104.0458 20416.6737 14399.6539 242.2798 -203785.8485 2520.6265 0.0000 0.0000 51963.8730 -110138.6958 298.6371 -162102.5688 -109788.0506 298.1616 -62.4491 -34.7273 760047.5290 -6.4561 -6.3764 PRESSURE: 737600 -242.862 67.4146 340.03 67.415 -164.898 72.8969 340.031 72.8961 403.029 GPRESSURE: 737600 -114.593 -24.5513 293.772 103.482 -141.758 -55.7684 188.436 9.86681 355.41 PRESSAVG: 737600 -38.5358 -95.7623 19.388 -95.7623 9.38717 -1.55744 19.388 -1.55746 -18.074 GPRESSAVG: 737600 -37.8143 -96.9911 19.6298 -96.0324 7.96347 -3.16727 16.8775 -0.0324701 -17.4456 TIMING: 737600 CPU: 2392.29, 0.00314012/step Wall: 2392.29, 0.00314012/step, 3.7179 hours remaining, 231.125000 MB of memory in use. ENERGY: 737600 4027.1401 20461.0275 14438.6178 230.6115 -203733.0152 2495.0594 0.0000 0.0000 51969.1849 -110111.3739 298.6676 -162080.5588 -109749.0760 298.5038 -1.5771 33.0198 759113.4272 -15.7409 -15.7655 PRESSURE: 737800 -59.7974 217.712 -310.04 217.711 313.636 94.7091 -310.04 94.71 -445.376 GPRESSURE: 737800 -38.723 32.5538 -334.928 225.686 356.234 147.802 -300.586 6.34351 -419.08 PRESSAVG: 737800 -3.94391 -70.7236 -3.35415 -70.7236 20.0267 -27.2038 -3.35414 -27.2038 17.2387 GPRESSAVG: 737800 -4.81192 -70.6063 -3.75267 -70.3007 21.0783 -26.2166 -3.92007 -29.4096 16.1868 TIMING: 737800 CPU: 2392.92, 0.00315109/step Wall: 2392.92, 0.00315109/step, 3.73071 hours remaining, 231.125000 MB of memory in use. ENERGY: 737800 4040.3841 20619.2360 14438.0814 264.4543 -203689.7073 2575.9134 0.0000 0.0000 51601.8926 -110149.7455 296.5568 -161751.6381 -109793.3244 298.1771 -63.8460 -33.8563 758806.5361 11.1072 10.8177 PRESSURE: 738000 -18.9607 48.7351 -31.0947 48.7332 320.236 58.3867 -31.0946 58.3863 522.865 GPRESSURE: 738000 96.97 83.3063 -98.986 13.3352 329.848 17.8416 -51.9413 124.496 497.48 PRESSAVG: 738000 8.98322 -25.1215 -23.0052 -25.1215 6.72587 -68.2093 -23.0052 -68.2093 5.09249 GPRESSAVG: 738000 8.80177 -23.9733 -25.0043 -25.0629 6.69205 -66.8113 -21.152 -68.5632 5.89176 TIMING: 738000 CPU: 2393.55, 0.00314994/step Wall: 2393.55, 0.00314994/step, 3.72918 hours remaining, 231.125000 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: 738000 3960.0178 20486.1896 14448.2300 232.0358 -203784.4371 2561.5179 0.0000 0.0000 52229.3138 -109867.1321 300.1626 -162096.4459 -109495.5976 298.3079 274.7136 308.0992 757143.9786 6.9339 7.1285 PRESSURE: 738200 -167.758 -27.9807 207.727 -27.981 -169.346 64.7973 207.727 64.7987 440.021 GPRESSURE: 738200 -229.285 -125.255 239.585 -45.9665 -19.1933 136.576 149.564 42.4987 430.737 PRESSAVG: 738200 -39.6465 -28.7736 -24.636 -28.7736 44.3932 -1.57533 -24.636 -1.57534 1.75683 GPRESSAVG: 738200 -39.2508 -29.8563 -23.3326 -26.8121 43.4526 -2.04363 -25.7469 -0.386997 1.55811 TIMING: 738200 CPU: 2394.18, 0.00315193/step Wall: 2394.18, 0.00315193/step, 3.73136 hours remaining, 231.125000 MB of memory in use. ENERGY: 738200 3996.5584 20540.0342 14458.0258 246.4074 -202863.0461 1951.7106 0.0000 0.0000 51896.0720 -109774.2378 298.2474 -161670.3099 -109403.9027 298.9335 34.3059 60.7529 758642.1584 2.1678 1.9199 PRESSURE: 738400 146.493 203.522 48.3455 203.522 -10.2623 248.832 48.345 248.832 -130.261 GPRESSURE: 738400 125.385 130.002 64.8317 134.037 36.1243 241.038 155.965 177.548 -72.4128 PRESSAVG: 738400 -31.6456 -36.2816 -2.201 -36.2815 16.005 47.6614 -2.20094 47.6615 -17.3262 GPRESSAVG: 738400 -32.4504 -35.9343 -2.53166 -37.2629 17.4966 46.4532 1.51987 46.5641 -17.4625 TIMING: 738400 CPU: 2394.82, 0.00315926/step Wall: 2394.82, 0.00315926/step, 3.73986 hours remaining, 231.125000 MB of memory in use. ENERGY: 738400 4051.1214 20575.5754 14405.7198 239.7536 -203509.6185 2368.8082 0.0000 0.0000 52160.9906 -109707.6495 299.7699 -161868.6401 -109347.9401 298.9275 1.9898 29.6989 759744.8362 -10.9889 -10.8054 PRESSURE: 738600 -228.431 -156.535 61.9231 -156.536 269.694 -209.274 61.9227 -209.274 -27.9318 GPRESSURE: 738600 -56.1964 -119.472 76.2242 -163.111 239.538 -118.405 60.2523 -209.923 -79.5946 PRESSAVG: 738600 -26.1124 -37.6026 24.2857 -37.6027 42.6707 11.5382 24.2858 11.5383 -8.23078 GPRESSAVG: 738600 -24.9639 -38.6358 24.5895 -37.9102 41.396 11.1826 20.3165 11.8956 -7.72879 TIMING: 738600 CPU: 2395.45, 0.00314275/step Wall: 2395.45, 0.00314275/step, 3.72014 hours remaining, 231.125000 MB of memory in use. ENERGY: 738600 3958.0263 20544.5388 14421.1541 235.6970 -203030.9327 2239.4090 0.0000 0.0000 52003.9770 -109628.1305 298.8676 -161632.1074 -109262.5737 299.2370 4.4438 34.5823 760236.5427 2.7758 2.9011 PRESSURE: 738800 -130.113 79.5645 90.3311 79.5644 -87.123 -146.679 90.3315 -146.68 -99.0136 GPRESSURE: 738800 -90.0525 201.652 195.349 103.19 -65.2886 -129.922 109.48 -116.264 -80.1851 PRESSAVG: 738800 -55.6861 -37.5702 2.6512 -37.5702 59.9781 18.9556 2.65127 18.9556 -1.67604 GPRESSAVG: 738800 -56.2191 -35.5014 4.5839 -36.2965 60.6999 19.0473 1.02295 19.7511 -1.77057 TIMING: 738800 CPU: 2396.07, 0.00313965/step Wall: 2396.07, 0.00313965/step, 3.7163 hours remaining, 231.125000 MB of memory in use. ENERGY: 738800 3933.0163 20440.9615 14420.6216 240.4734 -202672.5876 2017.4781 0.0000 0.0000 51871.1861 -109748.8504 298.1044 -161620.0366 -109392.0295 298.6024 -105.4164 -78.5087 760295.3682 0.8720 0.9034 PRESSURE: 739000 53.6653 -55.575 -109.979 -55.5754 -1.96227 184.703 -109.979 184.702 -70.7402 GPRESSURE: 739000 87.1487 -33.273 -16.8307 -93.4006 -16.2858 153.801 -189.446 241.553 1.61013 PRESSAVG: 739000 -28.2594 -5.09986 38.5355 -5.09984 2.79443 -4.01062 38.5355 -4.0106 21.6364 GPRESSAVG: 739000 -27.4752 -5.83597 37.0021 -5.99874 1.51153 -3.17423 41.9891 -2.78828 21.7526 TIMING: 739000 CPU: 2396.71, 0.00316201/step Wall: 2396.71, 0.00316201/step, 3.74259 hours remaining, 231.125000 MB of memory in use. ENERGY: 739000 3988.3233 20397.6066 14428.5039 239.8239 -203226.5281 2328.5047 0.0000 0.0000 52100.1590 -109743.6067 299.4203 -161843.7657 -109381.7962 298.9155 -6.3457 24.1577 760428.3251 -1.2762 -1.4037 PRESSURE: 739200 125.625 -104.898 -95.8673 -104.898 198.905 -134.512 -95.8674 -134.51 -181.709 GPRESSURE: 739200 144.47 -55.3508 -120.688 101.563 242.428 -99.9154 -149.734 -155.664 -131.943 PRESSAVG: 739200 -12.9303 -63.9632 -34.3088 -63.9633 32.1877 23.6664 -34.3087 23.6663 25.7251 GPRESSAVG: 739200 -12.7649 -64.432 -34.9415 -61.9057 32.8279 21.8252 -35.8856 21.7722 25.1814 TIMING: 739200 CPU: 2397.33, 0.00314777/step Wall: 2397.33, 0.00314777/step, 3.72556 hours remaining, 231.125000 MB of memory in use. ENERGY: 739200 4015.6561 20407.2958 14458.5190 252.6907 -203330.5337 2491.5107 0.0000 0.0000 51925.9928 -109778.8686 298.4194 -161704.8615 -109408.1722 299.0531 47.6069 84.9850 760453.3308 14.9942 15.0815 PRESSURE: 739400 -80.406 122.377 -335.759 122.377 -299.241 -77.5606 -335.759 -77.5617 79.0827 GPRESSURE: 739400 -17.5375 127.643 -292.885 20.3402 -319.274 -68.5787 -299.489 16.6802 139.333 PRESSAVG: 739400 -38.7097 -17.0268 3.0919 -17.0268 -14.1135 -4.99315 3.09183 -4.99307 -16.0736 GPRESSAVG: 739400 -40.3882 -17.1608 4.47947 -18.4279 -13.2889 -2.82519 3.53046 -4.2168 -15.5991 TIMING: 739400 CPU: 2397.97, 0.00315591/step Wall: 2397.97, 0.00315591/step, 3.73502 hours remaining, 231.125000 MB of memory in use. ENERGY: 739400 4000.7608 20428.1537 14487.2995 244.6205 -203390.4667 2348.5956 0.0000 0.0000 52030.0197 -109851.0168 299.0172 -161881.0365 -109478.1713 298.6776 -100.1881 -65.8261 761666.4851 -22.9656 -23.0921 PRESSURE: 739600 -111.273 -183.854 -17.1355 -183.854 64.9644 -8.36311 -17.135 -8.36345 250.333 GPRESSURE: 739600 -27.1768 -145.479 40.3483 -269.241 82.2989 -61.9733 -131.265 7.21103 259.133 PRESSAVG: 739600 14.3289 -12.2859 -17.7757 -12.2859 4.69714 -14.3479 -17.7757 -14.348 -6.30227 GPRESSAVG: 739600 15.6588 -12.5422 -18.0379 -12.955 4.1354 -15.2114 -19.7538 -14.0065 -6.22477 TIMING: 739600 CPU: 2398.59, 0.00314221/step Wall: 2398.59, 0.00314221/step, 3.71863 hours remaining, 231.125000 MB of memory in use. ENERGY: 739600 4012.8780 20477.4646 14505.2545 241.1755 -203980.9306 2947.2666 0.0000 0.0000 51773.5903 -110023.3010 297.5435 -161796.8913 -109658.3884 298.5222 68.0081 104.7518 759611.8317 4.2413 4.5231 PRESSURE: 739800 474.845 -37.289 53.0301 -37.288 -166.41 -186.721 53.0311 -186.721 162.202 GPRESSURE: 739800 335.707 -78.7892 39.1349 18.2531 45.8077 -139.357 11.9149 -170.475 157.676 PRESSAVG: 739800 52.2541 -46.3361 0.574173 -46.3361 -17.6598 -32.0702 0.57423 -32.0702 -10.4716 GPRESSAVG: 739800 50.0558 -45.5962 0.694455 -46.0934 -16.3968 -31.7353 1.67414 -33.8184 -10.0021 TIMING: 739800 CPU: 2399.22, 0.0031449/step Wall: 2399.22, 0.0031449/step, 3.72164 hours remaining, 231.125000 MB of memory in use. ENERGY: 739800 3995.2056 20579.1242 14421.7574 232.0417 -203437.8050 2463.2776 0.0000 0.0000 51867.5093 -109878.8891 298.0833 -161746.3984 -109524.6249 299.1900 156.8791 179.7304 759103.6355 8.0409 7.8856 PRESSURE: 740000 -31.4696 -76.3071 182.665 -76.3064 7.97487 44.7498 182.665 44.7502 -2.29411 GPRESSURE: 740000 -95.0297 -153.542 158.023 -109.306 65.1307 50.2414 86.1911 69.0383 83.4445 PRESSAVG: 740000 -35.5074 -45.6436 21.4669 -45.6435 0.276014 -7.06988 21.4669 -7.06988 2.41328 GPRESSAVG: 740000 -34.3838 -46.1412 21.5169 -45.985 -1.21632 -7.99943 22.9748 -4.85021 2.41729 TIMING: 740000 CPU: 2399.85, 0.00314849/step Wall: 2399.85, 0.00314849/step, 3.72571 hours remaining, 231.125000 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: 740000 4025.5191 20694.6574 14456.7094 252.3348 -204029.9378 2532.5595 0.0000 0.0000 52061.0031 -110007.1544 299.1953 -162068.1575 -109655.4581 298.7685 -8.5963 17.8485 757995.2473 -10.9394 -11.0609 PRESSURE: 740200 -8.52175 -79.2665 41.8007 -79.2658 -36.824 -261.309 41.801 -261.311 -583.173 GPRESSURE: 740200 -72.9953 -87.2501 100.452 -133.468 -5.59871 -265.37 120.021 -246.842 -453.637 PRESSAVG: 740200 -0.812437 -32.5768 13.612 -32.5768 -0.796219 -58.9917 13.6121 -58.9917 5.75195 GPRESSAVG: 740200 -0.147987 -31.652 12.9632 -31.0778 -1.18131 -58.4871 12.8686 -60.3307 5.28106 TIMING: 740200 CPU: 2400.48, 0.00314069/step Wall: 2400.48, 0.00314069/step, 3.71631 hours remaining, 231.125000 MB of memory in use. ENERGY: 740200 3912.2472 20544.0104 14439.3976 254.0897 -203625.8892 2481.4157 0.0000 0.0000 52051.6466 -109943.0819 299.1415 -161994.7285 -109578.8031 298.9013 -209.5062 -177.4102 760917.5249 1.3811 1.3173 LDB: ============= START OF LOAD BALANCING ============== 2412.9 LDB: ============== END OF LOAD BALANCING =============== 2412.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2412.91 LDB: ============= START OF LOAD BALANCING ============== 2413.22 LDB: Largest compute 7025 load 0.036440 is 18.7% of average load 0.195069 LDB: Average compute 0.004384 is 2.2% of average load 0.195069 LDB: TIME 2413.23 LOAD: AVG 0.195069 MAX 0.214689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 2413.23 LOAD: AVG 0.195069 MAX 0.214689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 2413.23 LOAD: AVG 0.195069 MAX 0.214689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 2413.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2413.23 PRESSURE: 740400 -187.43 -13.4383 -137.304 -13.4386 37.6656 134.414 -137.304 134.415 119.783 GPRESSURE: 740400 -145.487 47.6134 -22.2593 41.8909 90.2434 182.24 -229.819 160.453 125.407 PRESSAVG: 740400 -18.1868 5.21207 -15.2914 5.2121 47.8797 -14.2736 -15.2914 -14.2736 -22.5018 GPRESSAVG: 740400 -20.0273 5.46165 -16.766 4.22436 49.4167 -13.9908 -17.5981 -12.8085 -22.0702 TIMING: 740400 CPU: 2401.13, 0.00323187/step Wall: 2401.13, 0.00323187/step, 3.82402 hours remaining, 232.156250 MB of memory in use. ENERGY: 740400 4028.0255 20450.4789 14440.7672 260.7750 -203940.6948 2656.7570 0.0000 0.0000 52117.1295 -109986.7616 299.5179 -162103.8911 -109627.6767 298.6657 -9.9937 23.3877 760030.7700 2.3970 2.4397 PRESSURE: 740600 -73.4465 -40.9229 60.0283 -40.9225 50.9782 98.3455 60.0285 98.3458 106.008 GPRESSURE: 740600 -66.6241 -74.3528 -46.4601 -124.609 124.717 92.4021 67.327 151.143 119.397 PRESSAVG: 740600 -37.7223 -36.974 -11.8042 -36.9741 26.9642 -11.4315 -11.8042 -11.4316 -17.6814 GPRESSAVG: 740600 -36.4895 -39.3452 -10.9246 -34.779 26.1185 -12.027 -11.8529 -12.3221 -17.8795 TIMING: 740600 CPU: 2401.76, 0.00316536/step Wall: 2401.76, 0.00316536/step, 3.74515 hours remaining, 232.558594 MB of memory in use. ENERGY: 740600 4033.4767 20623.1042 14449.7570 266.0685 -204030.6270 2716.2349 0.0000 0.0000 52041.5833 -109900.4024 299.0837 -161941.9857 -109546.6817 299.0587 27.8466 59.1633 760521.9319 -9.4798 -9.4169 PRESSURE: 740800 -135.295 -78.8791 -176.799 -78.8786 -96.4137 -113.651 -176.799 -113.652 -264.891 GPRESSURE: 740800 -151.61 -182.149 -192.694 -60.4071 -30.2475 -196.277 -58.998 -134.939 -219.544 PRESSAVG: 740800 -61.4643 3.25614 6.58655 3.25611 45.6634 37.1866 6.58652 37.1866 0.223982 GPRESSAVG: 740800 -61.0708 4.43376 8.63218 2.21956 45.9662 37.5222 6.27075 37.7579 -0.753192 TIMING: 740800 CPU: 2402.39, 0.0031452/step Wall: 2402.39, 0.0031452/step, 3.72112 hours remaining, 232.628906 MB of memory in use. ENERGY: 740800 3985.5340 20757.3755 14478.3011 257.3794 -203786.7202 2617.5528 0.0000 0.0000 52096.8218 -109593.7555 299.4012 -161690.5774 -109230.7577 299.3173 -165.5330 -133.8005 760955.0768 -5.1923 -5.2859 PRESSURE: 741000 -183.704 242.422 214.685 242.423 -174.806 -42.0299 214.684 -42.029 -7.69688 GPRESSURE: 741000 -141.052 319.58 197.233 203.579 -156.746 -32.4563 102.239 -79.2099 8.54241 PRESSAVG: 741000 -69.3776 -42.3613 -27.3228 -42.3612 50.7266 19.2468 -27.3228 19.2468 12.1927 GPRESSAVG: 741000 -69.9887 -40.5731 -28.8203 -45.1264 50.2371 19.0584 -25.2792 18.8637 13.1352 TIMING: 741000 CPU: 2403.02, 0.00315383/step Wall: 2403.02, 0.00315383/step, 3.73115 hours remaining, 232.699219 MB of memory in use. ENERGY: 741000 4044.1759 20714.6373 14427.5748 249.1017 -202998.9819 2375.0037 0.0000 0.0000 51723.2081 -109465.2803 297.2540 -161188.4885 -109101.6901 299.7734 -122.0688 -96.4183 762550.1826 -2.1528 -2.2055 PRESSURE: 741200 74.4347 -56.7481 -163.387 -56.7484 -379.77 25.6316 -163.387 25.6308 -8.27563 GPRESSURE: 741200 44.7955 -42.2804 -81.018 134.327 -234.586 44.3464 -311.864 -45.6748 -55.035 PRESSAVG: 741200 -6.825 27.803 2.10929 27.803 -23.6901 -54.8139 2.10923 -54.8139 -2.53324 GPRESSAVG: 741200 -7.26101 27.9178 4.00447 30.8051 -23.0842 -55.0764 1.0324 -54.8637 -2.48151 TIMING: 741200 CPU: 2403.65, 0.0031667/step Wall: 2403.65, 0.0031667/step, 3.7462 hours remaining, 232.769531 MB of memory in use. ENERGY: 741200 4094.3439 20572.5905 14482.5445 245.1128 -203008.5448 2093.2017 0.0000 0.0000 52182.7910 -109337.9604 299.8952 -161520.7514 -108973.4206 299.7238 -104.5369 -81.6084 760916.2479 -11.0161 -10.9423 PRESSURE: 741400 -171.373 -27.3708 -115.242 -27.3714 -241.277 -251.867 -115.242 -251.866 -399.483 GPRESSURE: 741400 -109.461 12.6457 -121.057 41.4557 -206.036 -320.985 6.45452 -150.811 -388.881 PRESSAVG: 741400 1.77357 -17.0406 -17.3238 -17.0406 23.8153 -0.571352 -17.3238 -0.571267 -30.206 GPRESSAVG: 741400 0.894892 -16.8926 -18.5806 -20.2267 23.0619 0.985813 -16.0624 -1.97062 -28.9123 TIMING: 741400 CPU: 2404.29, 0.00319622/step Wall: 2404.29, 0.00319622/step, 3.78095 hours remaining, 232.769531 MB of memory in use. ENERGY: 741400 3995.1736 20450.5083 14449.7928 258.8227 -202776.1030 2157.0151 0.0000 0.0000 52021.6451 -109443.1453 298.9691 -161464.7904 -109080.4025 299.1983 -270.7110 -234.7926 762362.8418 -1.5390 -1.6519 PRESSURE: 741600 68.5579 40.1615 33.7205 40.1611 143.938 44.2686 33.7192 44.2678 466.347 GPRESSURE: 741600 167.615 34.9632 49.3757 46.2071 225.619 -1.61803 -199.909 94.3611 398.797 PRESSAVG: 741600 -4.06196 -23.095 -25.4661 -23.095 -27.2216 3.50387 -25.4662 3.50378 13.5129 GPRESSAVG: 741600 -2.3937 -25.5755 -25.9895 -21.5656 -26.0291 3.38288 -26.4628 2.95385 10.79 TIMING: 741600 CPU: 2404.93, 0.00318871/step Wall: 2404.93, 0.00318871/step, 3.77189 hours remaining, 232.769531 MB of memory in use. ENERGY: 741600 4004.3146 20541.5454 14441.1708 256.2919 -203146.3380 2481.2232 0.0000 0.0000 52001.1226 -109420.6696 298.8512 -161421.7922 -109064.5713 299.4844 226.2809 264.0101 762421.3083 -5.9236 -5.8776 PRESSURE: 741800 238.131 96.5976 -77.6434 96.5986 234.738 132.073 -77.6433 132.072 49.7109 GPRESSURE: 741800 183.381 78.3485 -148.382 4.30142 271.105 99.1003 -158.404 106.184 119.597 PRESSAVG: 741800 1.88421 1.62651 -48.5433 1.62646 24.1762 -28.9573 -48.5432 -28.9572 -6.58085 GPRESSAVG: 741800 0.958024 3.4161 -50.3112 1.089 23.4274 -30.0429 -48.9614 -28.468 -4.47749 TIMING: 741800 CPU: 2405.57, 0.00318017/step Wall: 2405.57, 0.00318017/step, 3.76161 hours remaining, 232.769531 MB of memory in use. ENERGY: 741800 3987.5761 20468.2333 14454.0153 237.6329 -203179.4365 2436.0767 0.0000 0.0000 52111.6018 -109484.3006 299.4861 -161595.9023 -109100.5584 299.0790 174.1935 191.3613 759523.0435 6.4932 6.6360 PRESSURE: 742000 -181.403 4.70446 -177.438 4.70461 -116.802 183.361 -177.438 183.361 17.7772 GPRESSURE: 742000 -121.63 -56.4757 -184.411 -30.5771 -132.146 236.759 -147.325 71.9549 63.5909 PRESSAVG: 742000 9.91808 -55.0652 -1.81427 -55.0653 -13.4323 36.8388 -1.81424 36.8387 2.2261 GPRESSAVG: 742000 10.4262 -56.0534 0.121746 -53.6772 -13.4269 39.1868 -1.88649 37.7107 0.913002 TIMING: 742000 CPU: 2406.2, 0.00314362/step Wall: 2406.2, 0.00314362/step, 3.7182 hours remaining, 232.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 742000 3924.6118 20593.0069 14513.4393 241.5145 -203293.1251 2510.3057 0.0000 0.0000 51854.8142 -109655.4328 298.0103 -161510.2470 -109286.5432 299.0525 -93.4759 -63.3951 761323.4810 -0.4294 -0.6959 PRESSURE: 742200 -28.1066 -138.098 77.8053 -138.097 -315.411 159.321 77.8057 159.321 -214.489 GPRESSURE: 742200 -78.4171 -118.587 -37.1735 -175.206 -213.751 143.071 154.78 322.798 -169.501 PRESSAVG: 742200 27.5519 -87.8852 -27.6101 -87.8853 -3.12555 24.5317 -27.6101 24.5316 -20.913 GPRESSAVG: 742200 26.5682 -87.016 -27.988 -88.3746 -4.01825 22.3761 -25.3734 25.4404 -19.3976 TIMING: 742200 CPU: 2406.83, 0.0031923/step Wall: 2406.83, 0.0031923/step, 3.77561 hours remaining, 232.824219 MB of memory in use. ENERGY: 742200 4011.8593 20519.6077 14473.7007 252.6222 -203220.6762 2444.7140 0.0000 0.0000 51831.7389 -109686.4334 297.8777 -161518.1724 -109326.2028 298.4070 -186.0021 -153.8898 760983.7845 1.1711 1.0508 PRESSURE: 742400 388.009 -63.2536 -70.6994 -63.2529 158.573 -80.7288 -70.6997 -80.7298 205.486 GPRESSURE: 742400 349.384 -107.653 -11.9942 -88.1053 205.981 -157.649 -10.9041 51.6116 298.247 PRESSAVG: 742400 6.03809 -39.3869 -16.8414 -39.3869 -27.6216 33.0946 -16.8414 33.0947 20.6007 GPRESSAVG: 742400 7.24188 -41.0126 -18.2415 -37.5674 -28.3645 34.0395 -17.5215 31.1174 20.0502 TIMING: 742400 CPU: 2407.47, 0.00317786/step Wall: 2407.47, 0.00317786/step, 3.75835 hours remaining, 232.824219 MB of memory in use. ENERGY: 742400 3935.9918 20434.6183 14541.8810 259.8624 -203435.2977 2917.8642 0.0000 0.0000 51666.0752 -109679.0048 296.9256 -161345.0800 -109322.3590 298.2770 250.6891 284.5372 760970.0496 -0.3276 -0.3575 PRESSURE: 742600 102.38 -35.3765 -363.506 -35.3776 -201.749 -40.1207 -363.505 -40.1187 34.5098 GPRESSURE: 742600 86.4605 -31.77 -405.934 21.837 -103.211 -112.206 -296.502 2.75063 13.7512 PRESSAVG: 742600 38.9617 -41.5598 -11.8776 -41.5598 -5.07612 -12.9949 -11.8776 -12.9949 15.464 GPRESSAVG: 742600 39.5334 -41.3888 -11.9493 -43.8991 -4.07252 -13.1482 -11.9253 -13.2533 14.3437 TIMING: 742600 CPU: 2408.1, 0.00317513/step Wall: 2408.1, 0.00317513/step, 3.75494 hours remaining, 232.824219 MB of memory in use. ENERGY: 742600 3887.6987 20534.9438 14521.7148 241.3903 -203422.5114 2625.0805 0.0000 0.0000 51915.7387 -109695.9446 298.3605 -161611.6833 -109341.0392 298.3731 -21.6197 -0.9999 760578.5776 16.4499 16.6016 PRESSURE: 742800 -101.751 -55.6007 100.811 -55.6006 -246.511 15.7155 100.81 15.7144 -67.8314 GPRESSURE: 742800 -145.944 -81.516 114.888 -44.7064 -121.823 -7.99662 80.8704 -2.18267 -72.6075 PRESSAVG: 742800 -52.1953 -11.6177 22.2145 -11.6177 59.8638 30.4055 22.2145 30.4054 5.22733 GPRESSAVG: 742800 -53.9255 -11.2263 23.029 -9.2987 60.6164 31.112 21.6685 31.9855 5.66156 TIMING: 742800 CPU: 2408.74, 0.00316893/step Wall: 2408.74, 0.00316893/step, 3.74743 hours remaining, 232.824219 MB of memory in use. ENERGY: 742800 3989.1605 20621.5250 14497.5083 241.2372 -203319.3749 2689.7778 0.0000 0.0000 51820.7992 -109459.3668 297.8148 -161280.1661 -109103.3725 299.0990 -138.6976 -113.4581 761538.5871 4.2986 4.1175 PRESSURE: 743000 -460.453 -45.8248 117.849 -45.8247 -243.659 65.5437 117.85 65.5443 -134.732 GPRESSURE: 743000 -432.509 -88.8147 143.638 -19.6934 -226.269 172.89 5.99484 43.4549 -87.0977 PRESSAVG: 743000 -6.13547 -28.8116 31.6492 -28.8116 -26.9707 29.15 31.6492 29.15 36.7178 GPRESSAVG: 743000 -5.95336 -30.7478 33.3666 -31.1037 -27.6113 28.8732 31.4313 28.6158 37.5212 TIMING: 743000 CPU: 2409.38, 0.0032034/step Wall: 2409.38, 0.0032034/step, 3.78802 hours remaining, 232.824219 MB of memory in use. ENERGY: 743000 3940.0181 20549.1590 14397.3722 241.9484 -202846.8823 2180.7713 0.0000 0.0000 52009.6280 -109527.9854 298.9000 -161537.6134 -109163.1093 299.1436 -279.6147 -248.6255 762737.5263 1.2039 1.3189 PRESSURE: 743200 1.63227 38.1056 14.9458 38.1054 108.889 187.716 14.9455 187.716 48.5871 GPRESSURE: 743200 106.593 36.2604 8.26375 66.7093 78.7349 125.833 9.83111 188.559 61.7353 PRESSAVG: 743200 2.69846 -74.1514 -27.914 -74.1514 -13.1312 55.2893 -27.914 55.2893 14.5273 GPRESSAVG: 743200 1.24496 -70.707 -29.2891 -76.1756 -11.6916 54.7044 -27.4387 55.3594 14.4598 TIMING: 743200 CPU: 2410.02, 0.00318552/step Wall: 2410.02, 0.00318552/step, 3.76669 hours remaining, 232.824219 MB of memory in use. ENERGY: 743200 3934.5873 20836.3319 14507.8052 252.0612 -203092.7926 2255.9216 0.0000 0.0000 51963.9723 -109342.1132 298.6377 -161306.0855 -108993.2593 299.2233 53.0363 82.3542 760532.6887 1.3648 1.3377 PRESSURE: 743400 -141.487 -18.0203 -258.213 -18.0199 -123.667 -19.1856 -258.214 -19.186 -305.408 GPRESSURE: 743400 -117.547 30.2629 -249.685 -81.1755 -48.4914 -63.1609 -231.748 -66.0901 -308.834 PRESSAVG: 743400 -24.9252 -25.7665 -5.60664 -25.7664 -30.2339 -6.14403 -5.60657 -6.14404 0.168187 GPRESSAVG: 743400 -23.0848 -28.1119 -5.12761 -24.1606 -31.5245 -5.37782 -7.21579 -6.52592 -0.40097 TIMING: 743400 CPU: 2410.65, 0.00318304/step Wall: 2410.65, 0.00318304/step, 3.7636 hours remaining, 232.824219 MB of memory in use. ENERGY: 743400 3956.3198 20526.4602 14492.5914 248.6689 -203267.5076 2346.7611 0.0000 0.0000 52142.9324 -109553.7737 299.6661 -161696.7061 -109192.0844 299.0403 -190.1874 -158.2908 759766.5397 -18.3303 -18.3368 PRESSURE: 743600 90.8553 73.6452 68.7007 73.6446 261.59 -102.943 68.7013 -102.943 72.0722 GPRESSURE: 743600 119.834 163.25 -59.7152 13.4166 266.672 -54.418 112.702 -125.612 117.034 PRESSAVG: 743600 46.0596 -43.3695 -102.753 -43.3695 -57.0058 58.5518 -102.753 58.5518 4.95835 GPRESSAVG: 743600 45.4804 -43.8908 -104.132 -41.2019 -56.4556 58.4683 -98.941 58.9006 5.13767 TIMING: 743600 CPU: 2411.29, 0.00318114/step Wall: 2411.29, 0.00318114/step, 3.76117 hours remaining, 232.824219 MB of memory in use. ENERGY: 743600 3977.8150 20560.4742 14580.5428 240.4389 -203234.5998 2378.6383 0.0000 0.0000 52183.6400 -109313.0506 299.9001 -161496.6906 -108952.1068 299.3832 141.5058 167.8464 759427.6082 -1.9960 -1.9459 PRESSURE: 743800 492.441 -17.2494 -345.947 -17.2484 -122.883 169.551 -345.947 169.55 156.719 GPRESSURE: 743800 530.779 75.3027 -335.829 2.00079 -35.3506 134.187 -321.85 64.5798 110.808 PRESSAVG: 743800 -49.2825 -44.2626 -4.79393 -44.2626 -25.1346 11.4646 -4.79395 11.4646 1.94368 GPRESSAVG: 743800 -49.6884 -43.8042 -3.10002 -46.082 -24.7014 10.9476 -6.07546 10.528 1.49714 TIMING: 743800 CPU: 2411.92, 0.00316619/step Wall: 2411.92, 0.00316619/step, 3.74331 hours remaining, 232.824219 MB of memory in use. ENERGY: 743800 3960.4604 20595.2388 14522.2701 246.9734 -203108.8068 2583.5152 0.0000 0.0000 52008.0944 -109192.2546 298.8912 -161200.3490 -108832.9326 299.7126 175.4257 202.0788 761371.3431 -24.1578 -24.2975 PRESSURE: 744000 -266.449 206.61 137.087 206.61 -151.864 -68.4639 137.087 -68.4647 -180.177 GPRESSURE: 744000 -244.927 133.422 191.874 142.082 -103.786 55.1904 120.874 -101.13 -152.75 PRESSAVG: 744000 35.4221 2.45849 -29.564 2.4585 1.00851 -55.8057 -29.564 -55.8057 0.191931 GPRESSAVG: 744000 35.496 2.19994 -28.1931 5.24552 1.01777 -57.3095 -28.0565 -52.6375 0.0867872 TIMING: 744000 CPU: 2412.56, 0.00316982/step Wall: 2412.56, 0.00316982/step, 3.74744 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 744000 3911.9423 20414.1659 14590.5581 251.3472 -202830.3244 2364.7488 0.0000 0.0000 52291.5047 -109006.0573 300.5200 -161297.5620 -108631.1573 299.9329 -199.4969 -167.1544 762284.0833 12.2075 12.2002 PRESSURE: 744200 -306.184 128.686 52.4015 128.685 78.4865 -149.001 52.4013 -149.001 -113.596 GPRESSURE: 744200 -325.284 131.935 10.5244 4.51706 159.502 -179.052 -11.1459 -110.667 -90.0196 PRESSAVG: 744200 -39.3765 -10.1407 16.9424 -10.1406 51.5693 -79.5201 16.9423 -79.5201 -10.5037 GPRESSAVG: 744200 -39.8236 -7.1943 13.9889 -13.6054 51.9153 -76.5009 17.8575 -80.7067 -10.2901 TIMING: 744200 CPU: 2413.19, 0.00315822/step Wall: 2413.19, 0.00315822/step, 3.73354 hours remaining, 232.824219 MB of memory in use. ENERGY: 744200 3917.1857 20516.4488 14516.2319 247.0958 -202985.6531 2501.9875 0.0000 0.0000 52212.9971 -109073.7063 300.0688 -161286.7034 -108716.9842 300.0800 -113.7644 -85.2672 761358.7939 0.5630 0.6005 LDB: ============= START OF LOAD BALANCING ============== 2425.61 LDB: ============== END OF LOAD BALANCING =============== 2425.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2425.61 LDB: ============= START OF LOAD BALANCING ============== 2425.92 LDB: Largest compute 7025 load 0.034982 is 17.9% of average load 0.195114 LDB: Average compute 0.004376 is 2.2% of average load 0.195114 LDB: TIME 2425.93 LOAD: AVG 0.195114 MAX 0.21795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.578 MB LDB: TIME 2425.93 LOAD: AVG 0.195114 MAX 0.21795 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.781 MB LDB: TIME 2425.93 LOAD: AVG 0.195114 MAX 0.215564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.781 MB LDB: ============== END OF LOAD BALANCING =============== 2425.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2425.93 PRESSURE: 744400 -368.069 -14.9901 -126.471 -14.9902 -272.084 10.2543 -126.472 10.2532 -226.57 GPRESSURE: 744400 -308.557 -14.3302 -67.7565 -25.2917 -142.325 53.541 -159.447 95.6967 -336.406 PRESSAVG: 744400 -75.404 -21.0742 -2.02512 -21.0742 47.4836 24.3398 -2.02509 24.3398 -0.90656 GPRESSAVG: 744400 -74.0155 -23.9861 -1.24062 -19.5792 46.7785 24.4283 -3.78309 24.2728 -2.17336 TIMING: 744400 CPU: 2413.83, 0.00320518/step Wall: 2413.83, 0.00320518/step, 3.78888 hours remaining, 231.074219 MB of memory in use. ENERGY: 744400 4005.4155 20686.2353 14457.6905 242.0252 -203215.4980 2310.8014 0.0000 0.0000 52475.6109 -109037.7190 301.5781 -161513.3300 -108669.2724 300.0437 -288.9075 -262.4293 761734.6214 -9.6090 -9.8034 PRESSURE: 744600 -247.766 205.11 54.3641 205.11 -217.3 -219.736 54.364 -219.737 -155.377 GPRESSURE: 744600 -163.972 180.872 71.9911 208.642 -249.565 -202.487 -23.2652 -94.4668 -149.649 PRESSAVG: 744600 -25.0221 -25.2607 -2.96917 -25.2607 -5.72974 3.31824 -2.96917 3.31827 0.158885 GPRESSAVG: 744600 -23.9596 -25.9511 -3.03156 -26.2347 -6.05025 0.842441 -4.06448 2.63935 0.230624 TIMING: 744600 CPU: 2414.47, 0.00320844/step Wall: 2414.47, 0.00320844/step, 3.79256 hours remaining, 231.074219 MB of memory in use. ENERGY: 744600 3964.0027 20553.4240 14502.2660 241.9613 -202989.1845 2209.8985 0.0000 0.0000 52335.5194 -109182.1126 300.7729 -161517.6320 -108815.2712 300.4228 -206.8140 -187.7285 762383.9280 -10.1976 -9.9264 PRESSURE: 744800 -12.7561 74.0087 24.018 74.0085 -181.066 91.4536 24.018 91.4538 393.891 GPRESSURE: 744800 42.832 -46.914 59.3951 126.333 -127.985 0.649499 41.5523 60.891 395.807 PRESSAVG: 744800 -33.4236 18.9035 -15.9631 18.9035 3.35427 -41.3285 -15.963 -41.3285 2.80033 GPRESSAVG: 744800 -33.5738 20.4326 -15.2144 19.447 4.0511 -39.603 -14.6978 -38.8358 2.71042 TIMING: 744800 CPU: 2415.11, 0.00318062/step Wall: 2415.11, 0.00318062/step, 3.7595 hours remaining, 231.074219 MB of memory in use. ENERGY: 744800 3917.2185 20663.1764 14538.0436 244.4190 -203250.4669 2476.3169 0.0000 0.0000 52083.2110 -109328.0814 299.3229 -161411.2924 -108972.4727 300.0629 66.6895 103.5513 760183.9807 -9.0897 -8.9374 PRESSURE: 745000 -315.97 -162.341 27.4848 -162.341 -34.9341 0.154346 27.4852 0.154453 -139.556 GPRESSURE: 745000 -124.578 -179.641 19.0541 -92.3191 -106.503 28.2132 96.7615 -90.681 -145.657 PRESSAVG: 745000 -2.31076 -42.4779 26.1022 -42.478 31.472 -34.0185 26.1022 -34.0185 -24.1284 GPRESSAVG: 745000 -3.16247 -43.4201 26.6527 -41.8823 30.8877 -34.9975 25.9819 -35.3597 -23.0764 TIMING: 745000 CPU: 2415.75, 0.00321331/step Wall: 2415.75, 0.00321331/step, 3.79796 hours remaining, 231.074219 MB of memory in use. ENERGY: 745000 3966.0700 20569.6702 14519.0372 231.0413 -203573.2401 2591.3496 0.0000 0.0000 52231.9601 -109464.1115 300.1778 -161696.0717 -109096.7461 299.5259 -163.4866 -125.5794 761317.7331 1.6776 1.5496 PRESSURE: 745200 -12.5537 -119.439 167.053 -119.438 -14.4126 30.6445 167.053 30.6445 5.32297 GPRESSURE: 745200 3.33327 -159.174 -28.06 -38.0814 -6.19599 108.348 192.193 30.6136 42.1598 PRESSAVG: 745200 -39.5105 -13.6265 -18.0231 -13.6265 4.66604 15.7162 -18.0231 15.7163 -10.8257 GPRESSAVG: 745200 -38.5719 -12.7724 -18.7034 -14.3101 4.15483 15.6222 -18.817 16.1721 -11.5784 TIMING: 745200 CPU: 2416.38, 0.00317107/step Wall: 2416.38, 0.00317107/step, 3.74786 hours remaining, 231.074219 MB of memory in use. ENERGY: 745200 3988.5981 20566.9688 14453.1034 252.5794 -203656.0280 2719.3412 0.0000 0.0000 52229.6220 -109445.8151 300.1644 -161675.4371 -109081.1990 300.0007 -7.2144 13.0990 762950.2913 -15.2234 -15.3318 PRESSURE: 745400 76.9706 -121.06 -202.175 -121.06 -99.246 0.411518 -202.176 0.412404 -152.764 GPRESSURE: 745400 157.17 -155.958 -69.7892 -195.728 -33.75 67.5992 -196.557 85.7614 -217.095 PRESSAVG: 745400 -40.3299 -23.7327 28.9788 -23.7327 56.5758 -13.9622 28.9787 -13.9622 12.3789 GPRESSAVG: 745400 -40.2117 -25.4971 30.1341 -21.7725 56.4468 -14.2521 29.4543 -14.3229 12.8545 TIMING: 745400 CPU: 2417.02, 0.00318117/step Wall: 2417.02, 0.00318117/step, 3.75961 hours remaining, 231.074219 MB of memory in use. ENERGY: 745400 3979.8594 20638.4353 14385.7882 237.0628 -203340.0309 2523.4838 0.0000 0.0000 51889.4555 -109685.9458 298.2094 -161575.4013 -109328.1820 299.2315 -58.3466 -31.2248 760324.8478 9.5416 9.6965 PRESSURE: 745600 -97.025 -5.88096 -105.209 -5.88063 -324.218 16.9571 -105.209 16.9574 -261.531 GPRESSURE: 745600 -171.733 -122.038 -131.289 -126.671 -264.913 53.756 -35.1144 67.2899 -193.91 PRESSAVG: 745600 -49.2294 -16.7558 35.4876 -16.7558 34.7387 36.1011 35.4875 36.1011 -36.4024 GPRESSAVG: 745600 -51.7459 -14.8483 35.6658 -20.3549 35.7543 36.3195 37.06 37.8896 -35.3893 TIMING: 745600 CPU: 2417.66, 0.00318295/step Wall: 2417.66, 0.00318295/step, 3.76154 hours remaining, 231.074219 MB of memory in use. ENERGY: 745600 3979.9246 20426.4316 14464.2722 254.0498 -203008.5959 2393.0651 0.0000 0.0000 51964.5794 -109526.2732 298.6412 -161490.8526 -109179.9944 298.8576 -227.5914 -210.1855 761794.1387 -16.9644 -17.1270 PRESSURE: 745800 -134.462 174.832 185.249 174.831 -3.88615 -59.7672 185.249 -59.7664 86.8156 GPRESSURE: 745800 -106.1 64.9038 245.778 246.291 10.1433 62.997 149.859 -158.799 145.654 PRESSAVG: 745800 -31.4581 -16.2428 -35.1579 -16.2428 36.3891 21.372 -35.158 21.372 -35.3213 GPRESSAVG: 745800 -29.6888 -15.7114 -34.5845 -13.2865 35.629 20.538 -37.3205 20.497 -36.0609 TIMING: 745800 CPU: 2418.29, 0.00318747/step Wall: 2418.29, 0.00318747/step, 3.76671 hours remaining, 231.074219 MB of memory in use. ENERGY: 745800 4078.9936 20460.4750 14493.4725 248.8681 -203741.6319 2830.2216 0.0000 0.0000 52420.2313 -109209.3698 301.2598 -161629.6011 -108851.4417 299.3871 -17.1776 16.5656 760011.9038 -10.1301 -10.0402 PRESSURE: 746000 -125.555 -55.6423 -419.489 -55.6417 234.659 231.489 -419.489 231.488 -68.1131 GPRESSURE: 746000 -103.11 -24.8465 -418.734 -43.5334 251.993 241.26 -373.468 120.43 -15.3434 PRESSAVG: 746000 -15.2918 -73.6118 -54.3127 -73.6117 49.4425 -11.4776 -54.3126 -11.4776 -4.21594 GPRESSAVG: 746000 -15.6935 -74.9969 -56.3235 -75.3385 51.1726 -10.3348 -52.9594 -12.6885 -5.56189 TIMING: 746000 CPU: 2418.94, 0.00320489/step Wall: 2418.94, 0.00320489/step, 3.78711 hours remaining, 231.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 746000 4026.1621 20641.2665 14448.2791 254.0339 -203628.3272 2707.7809 0.0000 0.0000 52147.6545 -109403.1502 299.6933 -161550.8048 -109042.0803 299.6041 13.6636 44.5134 760449.2319 9.9783 9.9724 PRESSURE: 746200 -356.668 -73.6197 51.3281 -73.6204 -7.71803 -33.3995 51.3274 -33.3995 85.7431 GPRESSURE: 746200 -303.332 -82.1471 43.6633 -92.4605 -3.55137 -110.261 160.856 69.399 103.014 PRESSAVG: 746200 -26.3714 -34.4287 -18.5604 -34.4287 40.8345 49.6215 -18.5604 49.6215 2.32234 GPRESSAVG: 746200 -25.7699 -33.122 -18.3547 -33.7871 39.6806 49.6338 -18.1405 50.3961 2.67623 TIMING: 746200 CPU: 2419.58, 0.0032309/step Wall: 2419.58, 0.0032309/step, 3.81767 hours remaining, 231.074219 MB of memory in use. ENERGY: 746200 3969.6368 20646.3176 14456.1715 244.4238 -203434.7019 2485.3374 0.0000 0.0000 52286.8792 -109345.9355 300.4934 -161632.8147 -108976.8240 299.7789 -92.8809 -67.9565 760519.7112 5.5951 5.5290 PRESSURE: 746400 -126.484 112.675 143.519 112.675 179.801 -147.521 143.518 -147.522 -191.119 GPRESSURE: 746400 -18.1728 240.793 209.953 45.9002 102.517 -181.945 169.429 -130.741 -126.554 PRESSAVG: 746400 -45.6914 -57.9008 2.89607 -57.9008 62.9858 -43.1449 2.89608 -43.1449 -0.0943696 GPRESSAVG: 746400 -46.0722 -58.4164 3.4359 -55.9046 63.6233 -44.1378 1.33781 -42.5335 -0.377417 TIMING: 746400 CPU: 2420.22, 0.00321147/step Wall: 2420.22, 0.00321147/step, 3.79453 hours remaining, 231.074219 MB of memory in use. ENERGY: 746400 3983.8924 20528.7217 14524.4142 240.6410 -203201.7482 2505.0386 0.0000 0.0000 52015.1643 -109403.8760 298.9319 -161419.0403 -109040.5199 299.2656 -45.9341 -14.0698 761051.4708 5.7334 5.7246 PRESSURE: 746600 -214.971 23.4721 -85.6447 23.4718 23.2444 -73.1102 -85.6452 -73.1112 150.902 GPRESSURE: 746600 -140.367 -138.72 23.4582 29.6454 53.0792 -88.0521 -52.6408 32.5738 111.277 PRESSAVG: 746600 -45.4677 -9.5632 -6.28428 -9.5632 45.2533 -41.2358 -6.28423 -41.2359 18.2676 GPRESSAVG: 746600 -45.2029 -9.15815 -6.66617 -12.5438 44.346 -41.0297 -5.97185 -41.5443 18.422 TIMING: 746600 CPU: 2420.86, 0.00317146/step Wall: 2420.86, 0.00317146/step, 3.74708 hours remaining, 231.074219 MB of memory in use. ENERGY: 746600 3947.0196 20630.9433 14533.5456 250.0138 -203354.1514 2462.7287 0.0000 0.0000 52124.7992 -109405.1011 299.5619 -161529.9003 -109037.7074 299.2784 -13.6082 7.9964 760870.8913 6.0177 5.8551 PRESSURE: 746800 -56.61 61.5134 -77.4614 61.5145 96.0918 256.37 -77.4615 256.37 -55.0326 GPRESSURE: 746800 43.001 31.619 -124.063 -19.5433 129.757 209.071 -174.349 181.883 -101.138 PRESSAVG: 746800 -26.3857 -27.4844 -2.10023 -27.4844 0.281393 -6.75714 -2.10022 -6.75718 -33.2734 GPRESSAVG: 746800 -25.8856 -26.718 -2.27902 -26.5221 -0.327167 -7.40413 -0.39235 -5.03295 -33.8391 TIMING: 746800 CPU: 2421.49, 0.00316794/step Wall: 2421.49, 0.00316794/step, 3.74274 hours remaining, 231.074219 MB of memory in use. ENERGY: 746800 3954.3306 20475.2568 14480.2800 258.8299 -203307.5706 2549.1237 0.0000 0.0000 51984.2763 -109605.4732 298.7544 -161589.7495 -109241.5938 299.2923 -5.1836 23.8732 762126.9797 -19.7925 -20.0173 PRESSURE: 747000 -279.79 11.7431 174.418 11.7433 -244.265 -76.6763 174.418 -76.6751 307.061 GPRESSURE: 747000 -224.521 70.9284 263.637 -5.35391 -165.13 -71.4582 71.2559 -137.897 269.326 PRESSAVG: 747000 -28.4132 -22.4899 -20.0296 -22.49 23.324 -12.3312 -20.0295 -12.3312 25.4953 GPRESSAVG: 747000 -27.7431 -22.2114 -19.2497 -24.6174 22.1245 -11.5962 -22.4313 -14.2965 26.6255 TIMING: 747000 CPU: 2422.13, 0.00319449/step Wall: 2422.13, 0.00319449/step, 3.77394 hours remaining, 231.074219 MB of memory in use. ENERGY: 747000 3973.4822 20311.4380 14518.6542 253.7130 -203468.3081 2498.1786 0.0000 0.0000 52143.1966 -109769.6454 299.6677 -161912.8421 -109412.1917 298.7355 -72.3314 -40.1087 761063.5603 6.8020 7.0023 PRESSURE: 747200 17.8793 49.4104 3.44898 49.41 66.6878 89.6387 3.44846 89.6385 -156.011 GPRESSURE: 747200 22.4498 71.9691 -42.2172 106.4 218.118 168.324 0.923535 127.997 -204.447 PRESSAVG: 747200 -30.3123 -11.6476 -18.0532 -11.6476 47.612 47.3167 -18.0532 47.3167 -6.9297 GPRESSAVG: 747200 -32.0966 -11.5653 -17.9199 -11.2025 49.173 48.6324 -18.7076 48.3821 -7.85693 TIMING: 747200 CPU: 2422.77, 0.00318/step Wall: 2422.77, 0.00318/step, 3.75664 hours remaining, 231.074219 MB of memory in use. ENERGY: 747200 4013.7078 20406.2404 14479.1319 253.3134 -203767.7639 3033.5141 0.0000 0.0000 51849.0730 -109732.7833 297.9773 -161581.8563 -109368.5012 298.8274 -23.8147 12.0403 760630.2462 3.4567 3.0732 PRESSURE: 747400 12.6142 126.794 -220.611 126.794 109.449 42.8402 -220.611 42.8391 17.6559 GPRESSURE: 747400 104.05 23.0988 -221.513 72.1589 83.401 179.474 -141.023 -100.56 49.9534 PRESSAVG: 747400 -54.118 6.24991 -40.268 6.24991 61.1428 2.46451 -40.268 2.46456 -15.0834 GPRESSAVG: 747400 -53.5955 5.50801 -39.8113 7.32263 61.1048 1.24832 -40.8878 1.38388 -15.247 TIMING: 747400 CPU: 2423.4, 0.00318419/step Wall: 2423.4, 0.00318419/step, 3.76141 hours remaining, 231.074219 MB of memory in use. ENERGY: 747400 3927.0977 20436.8830 14521.0490 238.0307 -203373.4619 2602.4014 0.0000 0.0000 51987.4242 -109660.5759 298.7724 -161648.0001 -109301.4617 298.4403 46.5729 79.1347 762103.1929 -2.6862 -2.5792 PRESSURE: 747600 12.6258 66.8792 -217.147 66.8789 43.7743 -197.222 -217.148 -197.222 -32.3154 GPRESSURE: 747600 29.4219 52.6363 -260.727 60.5496 39.9736 -272.241 -119.714 -99.7786 54.6229 PRESSAVG: 747600 -13.7877 17.4933 -73.1019 17.4933 16.547 -22.3401 -73.1019 -22.3401 2.21078 GPRESSAVG: 747600 -14.1758 16.1127 -72.7038 17.6115 15.5508 -21.663 -71.7263 -21.283 3.30151 TIMING: 747600 CPU: 2424.04, 0.00319574/step Wall: 2424.04, 0.00319574/step, 3.77488 hours remaining, 231.074219 MB of memory in use. ENERGY: 747600 3977.5637 20484.4824 14479.1019 262.4488 -203677.8714 2700.7169 0.0000 0.0000 51996.8486 -109776.7092 298.8266 -161773.5578 -109423.8996 298.5146 8.0282 41.3395 760598.7815 1.6567 1.5588 PRESSURE: 747800 185.041 -83.3155 -22.0988 -83.3151 -83.8961 94.1232 -22.0977 94.1225 310.009 GPRESSURE: 747800 121.629 -126.762 20.0355 -124.194 27.2033 35.3627 -120.908 61.766 339.213 PRESSAVG: 747800 -21.9627 -41.8207 5.70837 -41.8207 37.1055 -20.7645 5.70833 -20.7645 -11.7035 GPRESSAVG: 747800 -24.0408 -42.2069 5.02839 -41.3268 38.3957 -21.5859 1.98436 -19.199 -11.0713 TIMING: 747800 CPU: 2424.67, 0.00316057/step Wall: 2424.67, 0.00316057/step, 3.73316 hours remaining, 231.074219 MB of memory in use. ENERGY: 747800 3993.8230 20601.6974 14526.0105 239.9268 -203435.7626 2600.1260 0.0000 0.0000 51678.7113 -109795.4677 296.9983 -161474.1790 -109442.1293 298.9300 137.0511 162.6817 760689.9186 1.1464 1.0945 PRESSURE: 748000 -159.216 85.3338 -198.443 85.3348 119.88 89.8763 -198.443 89.8768 -74.769 GPRESSURE: 748000 -123.771 77.6694 -167.985 104.019 104.251 210.735 -105.324 51.3329 2.16698 PRESSAVG: 748000 -9.98649 -11.4931 -2.71244 -11.4932 36.5854 -47.3616 -2.71243 -47.3616 0.773228 GPRESSAVG: 748000 -7.54097 -10.0632 -2.07088 -12.7411 35.1329 -47.1471 1.23102 -50.1849 0.202054 TIMING: 748000 CPU: 2425.31, 0.00318696/step Wall: 2425.31, 0.00318696/step, 3.76415 hours remaining, 231.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 748000 3973.4925 20412.9107 14529.1108 231.8122 -203702.9451 2686.6340 0.0000 0.0000 52014.6426 -109854.3424 298.9289 -161868.9850 -109486.9607 299.0417 -38.0349 -5.7844 760770.6795 9.1240 9.2647 PRESSURE: 748200 329.839 -109.484 24.9426 -109.484 -121.695 -35.1754 24.9421 -35.1756 30.2374 GPRESSURE: 748200 259.268 -334.936 65.263 -94.7206 -98.3594 23.6081 17.1118 36.4846 160.813 PRESSAVG: 748200 -7.62322 -46.9593 1.43105 -46.9594 5.13731 35.5449 1.43103 35.545 -16.5858 GPRESSAVG: 748200 -8.48289 -47.6334 1.45918 -47.3768 5.64015 36.1626 0.535208 37.535 -16.7392 TIMING: 748200 CPU: 2425.95, 0.00319734/step Wall: 2425.95, 0.00319734/step, 3.77624 hours remaining, 231.074219 MB of memory in use. ENERGY: 748200 3956.8839 20441.9665 14445.9868 242.2107 -203256.5190 2395.7839 0.0000 0.0000 52009.4944 -109764.1928 298.8993 -161773.6872 -109399.3302 298.5206 79.4604 107.2403 760052.6330 -6.3572 -6.5273 LDB: ============= START OF LOAD BALANCING ============== 2438.38 LDB: ============== END OF LOAD BALANCING =============== 2438.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2438.38 LDB: ============= START OF LOAD BALANCING ============== 2438.71 LDB: Largest compute 7025 load 0.034930 is 17.9% of average load 0.195157 LDB: Average compute 0.004389 is 2.2% of average load 0.195157 LDB: TIME 2438.71 LOAD: AVG 0.195157 MAX 0.214964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.02 MB LDB: TIME 2438.71 LOAD: AVG 0.195157 MAX 0.214964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: TIME 2438.71 LOAD: AVG 0.195157 MAX 0.214964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: ============== END OF LOAD BALANCING =============== 2438.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2438.72 PRESSURE: 748400 116.267 4.44109 57.0641 4.44117 -349.296 103.945 57.0649 103.945 -25.1882 GPRESSURE: 748400 160.1 51.64 -9.55787 53.9164 -319.494 174.348 72.0173 -52.4606 20.431 PRESSAVG: 748400 -35.0485 -17.9567 8.65254 -17.9568 -26.3162 18.2625 8.65255 18.2624 3.94544 GPRESSAVG: 748400 -34.5066 -18.267 6.55344 -15.3816 -26.1348 17.392 8.22015 16.3028 3.66556 TIMING: 748400 CPU: 2426.61, 0.00331387/step Wall: 2426.61, 0.00331387/step, 3.91368 hours remaining, 230.414062 MB of memory in use. ENERGY: 748400 3956.8929 20464.8221 14526.6895 246.9581 -203587.6982 2625.2910 0.0000 0.0000 52114.5921 -109652.4525 299.5033 -161767.0446 -109287.7974 298.9407 -86.0725 -46.3210 761197.5463 -19.1397 -18.9919 PRESSURE: 748600 6.31303 68.5081 21.6778 68.5077 92.3126 -323.578 21.6778 -323.578 -265.279 GPRESSURE: 748600 157.704 42.2928 88.829 44.7704 49.1265 -343.029 37.1698 -254.981 -278.978 PRESSAVG: 748600 87.8251 -36.8942 -44.3328 -36.8941 -61.763 -27.8362 -44.3328 -27.8362 -0.919295 GPRESSAVG: 748600 89.0744 -36.3459 -42.909 -38.3966 -61.9918 -28.1328 -42.4017 -25.9511 -2.51955 TIMING: 748600 CPU: 2427.25, 0.00319761/step Wall: 2427.25, 0.00319761/step, 3.7762 hours remaining, 230.617188 MB of memory in use. ENERGY: 748600 3911.9862 20332.9533 14460.2730 241.5679 -203107.9923 2524.8849 0.0000 0.0000 52068.9784 -109567.3485 299.2411 -161636.3270 -109202.3860 298.6461 -55.5511 -24.0492 761921.3014 8.3809 8.1877 PRESSURE: 748800 -121.56 198.225 32.9091 198.224 -107.367 -178.349 32.9088 -178.349 214.197 GPRESSURE: 748800 -66.9214 136.418 -9.70546 271.102 -42.6328 -99.0651 -70.7028 -194.016 191.969 PRESSAVG: 748800 64.0385 3.89671 4.94277 3.89671 -29.4078 -36.6649 4.94282 -36.6649 10.4215 GPRESSAVG: 748800 62.4506 4.78204 5.17669 3.55836 -28.553 -36.5411 3.06527 -35.4157 11.3063 TIMING: 748800 CPU: 2427.89, 0.00318455/step Wall: 2427.89, 0.00318455/step, 3.7606 hours remaining, 230.617188 MB of memory in use. ENERGY: 748800 3970.9423 20470.9333 14406.8935 236.4076 -202847.4171 2274.9689 0.0000 0.0000 51807.5112 -109679.7603 297.7385 -161487.2715 -109325.9080 299.1110 -4.9101 27.4716 760874.7555 15.0174 15.0680 PRESSURE: 749000 67.2963 207.568 25.7359 207.568 263.31 60.6699 25.7355 60.6698 308.63 GPRESSURE: 749000 109.832 162.095 81.6208 195.602 262.764 171.91 26.3201 -121.551 360.608 PRESSAVG: 749000 31.4109 23.2674 -73.6351 23.2675 22.0688 22.4731 -73.6351 22.4731 3.67408 GPRESSAVG: 749000 31.7057 22.2748 -73.7366 23.5706 21.7009 22.8488 -71.9298 18.8056 4.17896 TIMING: 749000 CPU: 2428.53, 0.00320225/step Wall: 2428.53, 0.00320225/step, 3.78133 hours remaining, 230.617188 MB of memory in use. ENERGY: 749000 3986.0909 20571.0283 14520.4243 242.6061 -203441.6361 2586.3126 0.0000 0.0000 51942.6480 -109592.5258 298.5151 -161535.1738 -109229.3825 298.9834 213.0787 244.4010 758797.6104 19.0513 19.1952 PRESSURE: 749200 -102.434 27.6458 -20.6435 27.6463 48.78 43.8523 -20.6427 43.8518 -140.692 GPRESSURE: 749200 7.4688 56.0826 -25.8927 65.6806 57.8539 88.5611 -19.0233 -47.5222 -170.245 PRESSAVG: 749200 -25.75 16.5503 55.8332 16.5503 -30.5806 8.40579 55.8332 8.40579 15.3351 GPRESSAVG: 749200 -25.995 18.7427 54.7752 15.8223 -29.0026 10.2907 57.4375 9.28968 14.7758 TIMING: 749200 CPU: 2429.17, 0.00320571/step Wall: 2429.17, 0.00320571/step, 3.78523 hours remaining, 230.687500 MB of memory in use. ENERGY: 749200 3958.0830 20459.3741 14542.0262 237.7475 -203176.6079 2386.1179 0.0000 0.0000 52021.9761 -109571.2831 298.9710 -161593.2592 -109214.8429 298.9158 -64.7822 -34.9740 760433.0935 -13.6652 -13.4073 PRESSURE: 749400 229.38 238.003 -36.9008 238.002 314.945 84.8453 -36.9012 84.8454 -40.3527 GPRESSURE: 749400 200.381 114.51 -33.123 168.411 328.867 -33.9452 -144.85 203.6 63.7792 PRESSAVG: 749400 34.8223 -16.7128 -29.5314 -16.7128 2.16826 -25.3671 -29.5314 -25.3671 -10.4742 GPRESSAVG: 749400 36.1789 -17.1904 -27.6533 -15.7948 1.56484 -26.0257 -32.0143 -25.5913 -11.2892 TIMING: 749400 CPU: 2429.81, 0.00316646/step Wall: 2429.81, 0.00316646/step, 3.73871 hours remaining, 230.687500 MB of memory in use. ENERGY: 749400 4018.8413 20388.0829 14390.4006 241.0154 -203182.7884 2591.8015 0.0000 0.0000 51884.9227 -109667.7239 298.1834 -161552.6466 -109317.1478 298.7882 167.9906 197.6758 760460.1116 8.8388 8.8182 PRESSURE: 749600 -2.7348 -173.66 129.963 -173.66 9.45049 30.8385 129.963 30.8375 -40.3037 GPRESSURE: 749600 -74.0674 -210.607 142.474 -68.0609 135.227 114.304 93.2353 -54.5907 -21.1341 PRESSAVG: 749600 14.5574 -46.6266 -67.7919 -46.6266 9.95754 -9.60789 -67.7919 -9.60776 -24.9024 GPRESSAVG: 749600 12.9374 -47.8134 -71.6641 -48.2449 9.51102 -9.35588 -66.0817 -10.264 -23.1739 TIMING: 749600 CPU: 2430.44, 0.00316318/step Wall: 2430.44, 0.00316318/step, 3.73466 hours remaining, 230.687500 MB of memory in use. ENERGY: 749600 4030.6736 20379.5638 14514.5417 245.3220 -202961.7827 2381.6131 0.0000 0.0000 51792.4082 -109617.6604 297.6517 -161410.0686 -109272.2589 298.8021 -11.1960 13.3420 759603.3805 -0.1292 -0.2418 PRESSURE: 749800 -52.6181 -125.026 16.4665 -125.026 -309.165 -38.956 16.4656 -38.9546 95.4356 GPRESSURE: 749800 -71.7894 -120.522 95.5969 -5.06412 -212.288 -65.9213 17.96 131.801 103.962 PRESSAVG: 749800 -40.0867 -19.9378 0.324644 -19.9378 11.8622 -30.3481 0.324682 -30.3482 10.0114 GPRESSAVG: 749800 -40.2345 -18.0994 2.9959 -18.8261 12.1442 -31.5348 0.710828 -28.2552 9.77991 TIMING: 749800 CPU: 2431.07, 0.00315961/step Wall: 2431.07, 0.00315961/step, 3.73027 hours remaining, 230.687500 MB of memory in use. ENERGY: 749800 3967.0577 20601.3671 14475.3279 257.8342 -202594.9287 2032.5325 0.0000 0.0000 51801.7365 -109459.0728 297.7053 -161260.8093 -109105.0927 298.8682 -88.7826 -60.0385 760124.7829 -6.0710 -6.1035 PRESSURE: 750000 -389.681 34.112 -33.2125 34.1125 -8.82213 -20.3751 -33.2124 -20.3757 -36.5789 GPRESSURE: 750000 -281.844 150.08 -100.341 135.473 -93.3052 -28.1761 -45.7479 -189.896 57.9142 PRESSAVG: 750000 -34.1057 -77.0263 17.6747 -77.0263 54.9117 -3.25022 17.6747 -3.25029 -7.154 GPRESSAVG: 750000 -33.8278 -79.6505 18.7227 -76.126 54.604 -3.6674 14.6427 -3.61318 -7.01236 TIMING: 750000 CPU: 2431.71, 0.00319717/step Wall: 2431.71, 0.00319717/step, 3.77444 hours remaining, 230.687500 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: 750000 3963.7334 20471.6776 14451.3494 264.4421 -203750.7118 2792.8773 0.0000 0.0000 52228.2581 -109578.3741 300.1565 -161806.6322 -109216.7116 299.0412 -145.0275 -105.7449 762497.8477 4.5507 4.5880 PRESSURE: 750200 238.417 -54.4856 -19.5463 -54.4855 15.5258 -289.317 -19.5471 -289.316 213.754 GPRESSURE: 750200 246.593 -98.2443 -40.8758 -99.9853 85.5315 -280.678 -53.6409 -239.416 239.465 PRESSAVG: 750200 -26.7003 -24.2515 -60.4574 -24.2515 15.757 14.7092 -60.4574 14.7093 12.2533 GPRESSAVG: 750200 -26.9575 -23.9176 -59.6349 -25.8779 16.4439 14.2881 -58.5744 13.9345 11.4861 TIMING: 750200 CPU: 2432.34, 0.00315923/step Wall: 2432.34, 0.00315923/step, 3.72948 hours remaining, 230.687500 MB of memory in use. ENERGY: 750200 3947.7183 20484.4152 14455.6547 262.4644 -202983.8822 2296.7809 0.0000 0.0000 52087.6928 -109449.1560 299.3487 -161536.8488 -109098.1580 299.5028 155.8991 190.5298 761139.7849 0.4366 0.3242 PRESSURE: 750400 172.006 74.0379 -0.0787037 74.0369 -193.829 76.1498 -0.0791657 76.1492 53.813 GPRESSURE: 750400 169.009 96.9304 -78.2251 95.9311 -28.8942 -65.4006 7.79364 189.056 -33.8885 PRESSAVG: 750400 -19.4843 -49.6423 -68.8336 -49.6423 -38.2134 17.0049 -68.8337 17.0049 7.41775 GPRESSAVG: 750400 -18.394 -48.3009 -71.5207 -49.9918 -39.4836 17.5721 -69.5031 17.7984 7.61941 TIMING: 750400 CPU: 2432.97, 0.0031564/step Wall: 2432.97, 0.0031564/step, 3.72595 hours remaining, 230.687500 MB of memory in use. ENERGY: 750400 3946.6588 20392.9900 14437.8794 264.1749 -203394.6336 2436.1733 0.0000 0.0000 52396.4789 -109520.2784 301.1233 -161916.7573 -109157.2284 299.5917 10.6635 35.4087 760837.9784 -16.7600 -16.7528 PRESSURE: 750600 458.543 -98.7115 145.76 -98.7116 231.632 114.742 145.76 114.741 221.534 GPRESSURE: 750600 429.678 -9.84547 170.223 -56.4506 252.15 93.9592 73.2431 234.16 307.305 PRESSAVG: 750600 59.7286 -15.5501 -89.5171 -15.5501 -50.9877 27.7627 -89.5171 27.7627 -2.72286 GPRESSAVG: 750600 58.2177 -16.3667 -88.97 -14.5993 -49.9212 27.7385 -90.2041 28.8731 -2.33627 TIMING: 750600 CPU: 2433.6, 0.00315037/step Wall: 2433.6, 0.00315037/step, 3.71866 hours remaining, 230.687500 MB of memory in use. ENERGY: 750600 3880.9679 20613.1227 14444.4198 244.7382 -203623.0073 2729.9747 0.0000 0.0000 52132.7585 -109577.0254 299.6077 -161709.7840 -109215.2817 299.4902 303.9028 329.7114 759939.1772 2.0060 1.9867 PRESSURE: 750800 -66.1991 176.732 -206.314 176.731 85.3235 28.6578 -206.314 28.6588 -172.531 GPRESSURE: 750800 -17.7839 140.911 -233.573 63.6345 38.5782 58.5535 -84.2486 68.1589 -97.3529 PRESSAVG: 750800 38.081 -53.7835 -22.1445 -53.7835 27.1945 16.9419 -22.1445 16.9419 -3.10785 GPRESSAVG: 750800 39.5915 -53.1528 -21.2452 -56.2385 26.0886 17.5001 -22.283 17.4436 -3.07681 TIMING: 750800 CPU: 2434.24, 0.0031638/step Wall: 2434.24, 0.00316381/step, 3.73435 hours remaining, 230.687500 MB of memory in use. ENERGY: 750800 4044.5464 20408.3585 14443.4910 240.2628 -203573.0508 2668.1951 0.0000 0.0000 52095.3541 -109672.8428 299.3927 -161768.1969 -109310.1683 299.6125 -51.1355 -25.5195 760875.9315 20.7226 20.8678 PRESSURE: 751000 112.98 182.305 0.784055 182.305 140.607 24.4248 0.783994 24.4248 8.41582 GPRESSURE: 751000 103.427 70.656 50.0267 133.57 271.646 21.1363 -24.029 -67.4917 -23.2299 PRESSAVG: 751000 19.637 -28.6877 -33.2811 -28.6877 -21.651 -8.27346 -33.2812 -8.2734 6.34932 GPRESSAVG: 751000 19.4153 -29.1132 -34.9786 -25.6976 -20.0196 -7.78661 -30.0776 -9.9863 5.40855 TIMING: 751000 CPU: 2434.87, 0.00315503/step Wall: 2434.87, 0.00315503/step, 3.72381 hours remaining, 230.687500 MB of memory in use. ENERGY: 751000 4005.9101 20391.0683 14416.1594 226.0155 -202798.9952 2351.9181 0.0000 0.0000 51976.9625 -109430.9613 298.7123 -161407.9238 -109069.9171 299.5337 87.3342 117.2810 761705.2302 1.4451 1.6014 PRESSURE: 751200 -3.08213 -61.5027 -254.71 -61.504 231.362 137.074 -254.709 137.074 -4.10043 GPRESSURE: 751200 95.6582 -99.5826 -236.147 -43.2889 275.928 110.532 -310.759 165.818 -46.5898 PRESSAVG: 751200 4.04845 -51.9078 9.89187 -51.9078 26.7008 27.792 9.89189 27.792 -11.4716 GPRESSAVG: 751200 5.28771 -52.1567 11.2954 -52.012 25.2477 28.0244 7.72041 25.9951 -11.229 TIMING: 751200 CPU: 2435.5, 0.00316225/step Wall: 2435.5, 0.00316225/step, 3.73215 hours remaining, 230.687500 MB of memory in use. ENERGY: 751200 3966.4385 20523.1896 14364.7411 241.9226 -203296.4537 2555.6799 0.0000 0.0000 52280.6620 -109363.8200 300.4577 -161644.4820 -109009.1365 299.4267 74.7265 108.3323 762160.6226 6.4259 6.4355 PRESSURE: 751400 -109.403 -58.6355 -209.929 -58.6355 -273.102 -90.6014 -209.929 -90.6007 169.686 GPRESSURE: 751400 -21.5934 -63.8967 -264.325 -230.26 -180.178 -65.1328 -37.0407 -19.8649 100.878 PRESSAVG: 751400 -25.0675 -3.7727 -3.92919 -3.77273 8.88102 43.4141 -3.92915 43.4141 2.29368 GPRESSAVG: 751400 -26.774 -4.64258 -6.97632 -4.96448 10.1656 42.5908 -2.10671 44.0639 2.98169 TIMING: 751400 CPU: 2436.13, 0.00313802/step Wall: 2436.13, 0.00313802/step, 3.70338 hours remaining, 230.687500 MB of memory in use. ENERGY: 751400 4016.8895 20520.9196 14481.0075 247.8801 -202923.1786 2276.7931 0.0000 0.0000 51986.9118 -109392.7770 298.7695 -161379.6888 -109034.2088 299.3078 -70.9397 -33.6309 761569.7844 -4.6309 -4.5422 PRESSURE: 751600 -79.1344 -97.3968 42.752 -97.3963 94.9363 312.485 42.752 312.485 -186.89 GPRESSURE: 751600 -78.889 -39.7281 29.3969 -165.864 152.587 216.801 -71.9456 355.687 -147.076 PRESSAVG: 751600 -29.3227 -9.22755 -38.7833 -9.22757 -29.6956 44.4742 -38.7832 44.4743 -10.8953 GPRESSAVG: 751600 -29.8102 -7.57946 -37.0299 -9.56523 -28.8066 45.8984 -39.5074 45.0165 -11.3288 TIMING: 751600 CPU: 2436.76, 0.00314475/step Wall: 2436.76, 0.00314475/step, 3.71116 hours remaining, 230.687500 MB of memory in use. ENERGY: 751600 4002.6726 20453.1829 14503.5234 262.2984 -203316.7874 2590.7727 0.0000 0.0000 52055.4409 -109448.8965 299.1633 -161504.3374 -109092.9302 299.4423 -57.0292 -24.4592 761164.0002 -23.3045 -23.3152 PRESSURE: 751800 -146.932 48.8444 -188.458 48.8436 109.381 161.48 -188.458 161.48 -345.666 GPRESSURE: 751800 -117.807 92.601 -220.115 71.0737 120.261 224.892 -155.883 -15.2954 -307.154 PRESSAVG: 751800 -33.5456 -4.91494 -48.0937 -4.91494 -7.05312 10.9775 -48.0936 10.9775 -5.82067 GPRESSAVG: 751800 -32.8499 -4.514 -47.424 -5.80381 -8.68749 9.90459 -50.6613 9.5788 -4.5569 TIMING: 751800 CPU: 2437.39, 0.0031741/step Wall: 2437.39, 0.0031741/step, 3.74561 hours remaining, 230.687500 MB of memory in use. ENERGY: 751800 4032.9098 20522.3378 14456.6197 249.6316 -203053.3713 2287.1426 0.0000 0.0000 52039.3914 -109465.3385 299.0711 -161504.7299 -109107.5362 299.9972 -127.7393 -101.5668 761583.4981 -15.4731 -15.3648 PRESSURE: 752000 -537.414 69.2777 -130.894 69.2771 -147.267 -44.3801 -130.895 -44.3807 197.557 GPRESSURE: 752000 -452.603 20.9117 -223.087 -17.9706 -165.952 -60.1626 -74.5567 114.52 214.866 PRESSAVG: 752000 -36.7438 -97.2125 -17.4223 -97.2125 39.5677 -3.3427 -17.4223 -3.34277 -8.45619 GPRESSAVG: 752000 -37.0588 -97.6467 -17.8777 -96.1148 39.9487 -3.13804 -16.5977 -1.52026 -8.92822 TIMING: 752000 CPU: 2438.03, 0.0031899/step Wall: 2438.03, 0.0031899/step, 3.76408 hours remaining, 230.687500 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: 752000 3973.5003 20484.6686 14449.0736 238.5644 -203450.8042 2325.9712 0.0000 0.0000 52243.8277 -109735.1983 300.2460 -161979.0260 -109369.8569 298.8804 -162.3747 -134.5629 760844.1779 -1.8774 -2.0128 PRESSURE: 752200 126.32 -42.7348 129.481 -42.734 -48.0703 -40.4037 129.48 -40.4037 -132.157 GPRESSURE: 752200 103.477 -12.1661 110.607 -59.6634 0.542353 -101.434 211.82 43.1636 -79.4161 PRESSAVG: 752200 -24.5337 -19.9824 18.2961 -19.9824 35.2369 -9.41046 18.2961 -9.41048 14.3872 GPRESSAVG: 752200 -24.271 -19.6664 17.9073 -20.5905 35.7059 -9.59826 18.9101 -10.1317 13.8535 TIMING: 752200 CPU: 2438.66, 0.00316846/step Wall: 2438.66, 0.00316846/step, 3.73861 hours remaining, 230.687500 MB of memory in use. ENERGY: 752200 4030.7152 20508.8975 14481.2603 236.2694 -203487.3669 2380.6598 0.0000 0.0000 52198.4708 -109651.0940 299.9853 -161849.5648 -109287.7067 299.6475 -17.9691 8.2011 761476.2158 8.3635 8.4295 LDB: ============= START OF LOAD BALANCING ============== 2451.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2451.08 LDB: =============== DONE WITH MIGRATION ================ 2451.09 LDB: ============= START OF LOAD BALANCING ============== 2451.4 LDB: Largest compute 7026 load 0.034614 is 17.7% of average load 0.195188 LDB: Average compute 0.004397 is 2.3% of average load 0.195188 LDB: TIME 2451.4 LOAD: AVG 0.195188 MAX 0.214684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.188 MB LDB: TIME 2451.4 LOAD: AVG 0.195188 MAX 0.214684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: TIME 2451.4 LOAD: AVG 0.195188 MAX 0.214684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: ============== END OF LOAD BALANCING =============== 2451.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2451.41 PRESSURE: 752400 -118.25 -38.2506 63.8264 -38.2502 57.3461 -173.727 63.8255 -173.727 -107.835 GPRESSURE: 752400 -55.6663 -6.12676 30.5526 -47.5004 35.644 -114.539 -31.9176 -219.182 -41.0156 PRESSAVG: 752400 -8.3392 -31.4098 1.96285 -31.4098 22.6161 3.53978 1.9628 3.5398 10.9142 GPRESSAVG: 752400 -9.09787 -30.7886 2.49121 -31.8386 21.9834 3.51224 2.11359 3.14819 11.9136 TIMING: 752400 CPU: 2439.31, 0.00321802/step Wall: 2439.31, 0.00321802/step, 3.7969 hours remaining, 231.386719 MB of memory in use. ENERGY: 752400 3941.6341 20587.1896 14472.5177 252.6395 -203581.7244 2541.2290 0.0000 0.0000 52040.1892 -109746.3254 299.0757 -161786.5146 -109397.6690 299.0557 -56.2464 -20.3460 759281.5019 8.3970 8.2664 PRESSURE: 752600 -249.14 -271.003 -148.77 -271.002 -137.408 -181.051 -148.769 -181.05 110.009 GPRESSURE: 752600 -57.9832 -321.066 -94.4057 -197.281 -107.27 -161.204 -108.082 -201.392 -5.6117 PRESSAVG: 752600 -22.153 -59.5411 30.5322 -59.5412 28.3768 25.3759 30.5322 25.3759 19.1203 GPRESSAVG: 752600 -22.427 -61.0543 29.2983 -58.0105 29.8793 24.609 29.37 25.6258 17.8988 TIMING: 752600 CPU: 2439.93, 0.00313774/step Wall: 2439.93, 0.00313774/step, 3.70201 hours remaining, 231.589844 MB of memory in use. ENERGY: 752600 3972.8603 20579.6591 14496.3860 262.9517 -203403.3073 2593.5510 0.0000 0.0000 51814.7976 -109683.1017 297.7804 -161497.8993 -109325.6526 299.4096 -92.1798 -56.9550 760929.1005 8.4480 8.4504 PRESSURE: 752800 -12.1715 13.6881 -35.6079 13.6875 -27.0015 147.416 -35.6078 147.417 -43.3096 GPRESSURE: 752800 -36.8575 95.3105 -52.4874 -18.49 45.1996 232.979 -16.9466 155.491 -9.62299 PRESSAVG: 752800 -70.4429 -3.93914 11.0352 -3.93914 105.491 22.6918 11.0352 22.6918 -7.71893 GPRESSAVG: 752800 -70.33 -4.47905 12.5317 -4.17557 103.516 25.4322 10.5986 20.7617 -6.39831 TIMING: 752800 CPU: 2440.56, 0.00314982/step Wall: 2440.56, 0.00314982/step, 3.71609 hours remaining, 231.589844 MB of memory in use. ENERGY: 752800 3978.2637 20614.7390 14530.4436 236.4620 -203429.2507 2448.0502 0.0000 0.0000 52052.9283 -109568.3639 299.1489 -161621.2922 -109213.2919 299.4434 -27.4942 -0.4270 759780.1288 9.1099 8.9293 PRESSURE: 753000 342.544 57.3641 45.4214 57.3637 -16.3374 -72.4205 45.4226 -72.4186 85.0342 GPRESSURE: 753000 351.423 -91.285 52.4278 14.0575 4.35848 -58.0241 202.66 -19.2958 126.778 PRESSAVG: 753000 -18.7879 -87.1974 20.9549 -87.1974 9.51512 -24.1035 20.9549 -24.1035 4.07427 GPRESSAVG: 753000 -18.3626 -86.3088 21.4194 -88.2945 10.3672 -25.5195 21.9325 -21.7849 2.51031 TIMING: 753000 CPU: 2441.19, 0.0031479/step Wall: 2441.19, 0.0031479/step, 3.71365 hours remaining, 231.589844 MB of memory in use. ENERGY: 753000 3876.4587 20638.6862 14435.0603 242.7262 -203335.6151 2426.8055 0.0000 0.0000 52253.8602 -109462.0178 300.3037 -161715.8781 -109094.8515 299.3750 137.0803 160.8529 760629.7679 -1.7328 -1.8284 PRESSURE: 753200 -212.135 20.6802 31.7014 20.6807 -61.3291 -328.824 31.7015 -328.824 72.5871 GPRESSURE: 753200 -165.209 18.8284 38.0503 -83.3524 -1.10265 -330.91 23.2638 -401.96 46.7493 PRESSAVG: 753200 12.297 -86.4814 24.0361 -86.4815 -60.0164 23.4505 24.0361 23.4506 4.92978 GPRESSAVG: 753200 12.777 -87.8489 23.9154 -85.8221 -58.8721 22.9369 23.6284 23.8406 3.74811 TIMING: 753200 CPU: 2441.82, 0.0031563/step Wall: 2441.82, 0.0031563/step, 3.72338 hours remaining, 231.589844 MB of memory in use. ENERGY: 753200 4013.1596 20706.0494 14456.8500 256.3914 -203009.8655 2197.5599 0.0000 0.0000 51947.9094 -109431.9457 298.5453 -161379.8551 -109071.0660 299.7955 -66.9591 -39.8541 761072.8244 -14.2632 -14.1157 PRESSURE: 753400 133.768 12.9159 -4.81992 12.9159 -210.87 110.616 -4.82031 110.616 121.43 GPRESSURE: 753400 194.741 -50.3572 38.3272 97.2882 -92.7949 31.024 16.1195 59.4222 30.6281 PRESSAVG: 753400 -30.6044 -59.7547 -5.73531 -59.7548 18.4103 -18.9835 -5.73531 -18.9835 -1.18038 GPRESSAVG: 753400 -31.2791 -59.0573 -7.42667 -59.0835 17.3248 -18.1473 -5.71776 -20.6247 0.17317 TIMING: 753400 CPU: 2442.46, 0.00320601/step Wall: 2442.46, 0.00320601/step, 3.78184 hours remaining, 231.589844 MB of memory in use. ENERGY: 753400 3922.4157 20616.5471 14531.4050 253.3628 -203223.6874 2274.6091 0.0000 0.0000 52362.2094 -109263.1383 300.9263 -161625.3477 -108883.8481 300.1007 14.7760 44.1916 760174.3318 -4.4582 -4.5937 PRESSURE: 753600 -377.387 155.903 24.2221 155.903 17.0749 109.11 24.2219 109.11 110.166 GPRESSURE: 753600 -243.311 190.097 40.0318 170.982 17.2162 68.642 87.837 51.1589 85.2978 PRESSAVG: 753600 -0.538085 -27.9021 70.6513 -27.9021 31.0715 23.8511 70.6513 23.8511 -9.7164 GPRESSAVG: 753600 -0.817214 -27.4776 71.3896 -30.8029 31.5956 23.7833 71.2464 24.4464 -9.63081 TIMING: 753600 CPU: 2443.1, 0.00315816/step Wall: 2443.1, 0.00315816/step, 3.72522 hours remaining, 231.589844 MB of memory in use. ENERGY: 753600 4073.0508 20703.8019 14536.4451 242.7279 -203031.9262 2156.4727 0.0000 0.0000 52066.6631 -109252.7648 299.2278 -161319.4278 -108880.7826 300.1011 -83.3819 -46.9324 760199.0314 6.9390 7.0492 PRESSURE: 753800 131.461 -80.2769 -103.941 -80.2766 -216.757 180.82 -103.942 180.82 -314.748 GPRESSURE: 753800 182.48 -42.1873 -126.577 -145.789 -215.302 243.229 -1.48209 284.969 -266.291 PRESSAVG: 753800 -3.60167 3.46322 49.7399 3.46323 18.5156 78.3971 49.7398 78.3972 -13.9996 GPRESSAVG: 753800 -2.2485 5.08536 49.5262 1.75396 16.7606 79.405 51.8425 77.6611 -13.2964 TIMING: 753800 CPU: 2443.73, 0.00316488/step Wall: 2443.73, 0.00316488/step, 3.73297 hours remaining, 231.589844 MB of memory in use. ENERGY: 753800 3994.9236 20657.3447 14407.2377 250.9070 -203351.6104 2245.9692 0.0000 0.0000 52403.8559 -109391.3723 301.1657 -161795.2283 -109021.6476 299.7703 -133.3478 -99.7044 759739.0533 0.3048 0.4052 PRESSURE: 754000 -173.593 -30.1377 30.3365 -30.1372 28.4272 118.307 30.3357 118.307 -344.617 GPRESSURE: 754000 -105.422 -191.76 -62.4119 25.0056 66.2322 136.256 -168.146 21.9603 -337.977 PRESSAVG: 754000 -36.0178 -26.0765 65.5983 -26.0765 13.4615 42.5026 65.5983 42.5026 12.0095 GPRESSAVG: 754000 -35.2955 -28.6325 65.8379 -21.3282 14.024 41.3265 62.6826 42.8685 10.8763 TIMING: 754000 CPU: 2444.36, 0.00315063/step Wall: 2444.36, 0.00315063/step, 3.716 hours remaining, 231.589844 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: 754000 3966.0265 20475.6077 14537.6006 245.1401 -203556.9634 2612.3818 0.0000 0.0000 52019.0842 -109701.1224 298.9544 -161720.2066 -109341.9714 299.3966 -163.2610 -125.7221 759537.4121 -3.5156 -3.4650 PRESSURE: 754200 -77.2393 -165.419 -48.4422 -165.418 -235.735 -61.4475 -48.4419 -61.4462 -3.50309 GPRESSURE: 754200 -93.5728 -14.0827 -28.8989 -128.807 -100.574 -29.5296 12.2918 11.6444 -44.4784 PRESSAVG: 754200 -40.4495 -1.66927 17.9676 -1.66923 18.2843 20.4696 17.9676 20.4696 2.69205 GPRESSAVG: 754200 -43.5125 -1.08192 19.4483 -2.29552 20.6569 19.8808 18.2151 20.1518 3.62991 TIMING: 754200 CPU: 2444.99, 0.00316199/step Wall: 2444.99, 0.00316199/step, 3.72922 hours remaining, 231.589844 MB of memory in use. ENERGY: 754200 3983.1820 20606.8810 14432.6092 265.9026 -203187.3928 2389.6054 0.0000 0.0000 51780.9109 -109728.3017 297.5856 -161509.2126 -109372.1062 299.1517 -105.4924 -79.5416 760093.4425 -6.4910 -6.4085 PRESSURE: 754400 -614.961 -49.5321 216.852 -49.5315 -139.286 -57.2097 216.852 -57.2091 -605.533 GPRESSURE: 754400 -639.501 94.6879 213.385 -127.825 -117.261 -152.594 266.476 145.108 -508.893 PRESSAVG: 754400 -39.617 -17.4952 57.6726 -17.4951 22.6172 34.2411 57.6725 34.2412 1.43428 GPRESSAVG: 754400 -37.4649 -15.5818 56.7491 -18.7519 22.0086 33.96 58.4307 34.8757 0.703197 TIMING: 754400 CPU: 2445.62, 0.00315908/step Wall: 2445.62, 0.00315908/step, 3.7256 hours remaining, 231.589844 MB of memory in use. ENERGY: 754400 4113.8800 20430.6466 14412.0041 259.5052 -203066.2924 2038.5609 0.0000 0.0000 51955.3806 -109856.3149 298.5883 -161811.6955 -109492.3394 298.9991 -453.2603 -421.8852 761154.1578 -5.1885 -4.9177 PRESSURE: 754600 256.504 -138.593 -63.2504 -138.593 555.459 92.8603 -63.2508 92.8609 151.454 GPRESSURE: 754600 331.649 -129.665 -38.48 -149.049 572.73 134.188 -165.629 108.735 175.374 PRESSAVG: 754600 -41.983 13.5115 20.4963 13.5115 7.50631 50.4286 20.4963 50.4286 8.42483 GPRESSAVG: 754600 -42.544 12.0244 22.4719 15.3377 7.35029 49.1088 20.6299 51.15 9.19984 TIMING: 754600 CPU: 2446.25, 0.00314418/step Wall: 2446.25, 0.00314418/step, 3.70786 hours remaining, 231.589844 MB of memory in use. ENERGY: 754600 3923.0971 20712.6827 14352.3281 246.9571 -203558.7011 2663.0152 0.0000 0.0000 51948.1930 -109712.4279 298.5470 -161660.6209 -109345.6854 298.8862 321.1390 359.9179 760510.5065 -8.6840 -8.6646 PRESSURE: 754800 -486.07 13.1477 226.293 13.1493 -39.1725 117.131 226.292 117.131 47.3732 GPRESSURE: 754800 -374.78 51.0463 224.968 14.7428 -97.5375 146.657 151.132 148.949 74.568 PRESSAVG: 754800 -64.3537 16.9387 -33.1649 16.9387 78.175 36.8576 -33.1649 36.8577 -10.1164 GPRESSAVG: 754800 -64.2012 17.8084 -34.4331 15.8711 77.7547 38.266 -34.0936 34.2697 -9.80296 TIMING: 754800 CPU: 2446.89, 0.00316312/step Wall: 2446.89, 0.00316312/step, 3.73002 hours remaining, 231.589844 MB of memory in use. ENERGY: 754800 3968.6413 20422.2087 14417.5212 234.8403 -203340.0581 2392.8063 0.0000 0.0000 52055.5752 -109848.4651 299.1641 -161904.0403 -109479.5711 299.0601 -159.2896 -132.5832 759775.8550 1.2350 1.2502 PRESSURE: 755000 -89.5117 -69.2762 161.212 -69.2753 -212.087 -45.6483 161.213 -45.6486 39.3081 GPRESSURE: 755000 12.4383 -119.117 33.1645 33.7275 -229.67 -37.3707 195.974 76.7988 37.2509 PRESSAVG: 755000 16.0987 -43.8239 0.812812 -43.8239 28.3867 28.8941 0.812826 28.8942 27.4339 GPRESSAVG: 755000 17.9956 -46.5094 1.00198 -44.283 27.6352 27.9502 0.606447 31.1861 26.5386 TIMING: 755000 CPU: 2447.53, 0.00320071/step Wall: 2447.53, 0.00320071/step, 3.77417 hours remaining, 231.589844 MB of memory in use. ENERGY: 755000 3981.3111 20533.3711 14411.1059 251.8508 -203291.1829 2432.5528 0.0000 0.0000 51887.3689 -109793.6223 298.1974 -161680.9911 -109440.3272 298.8687 -87.4303 -59.9937 761057.3570 23.9731 24.0564 PRESSURE: 755200 -269.145 11.1929 -110.941 11.1923 -407.269 246.544 -110.941 246.544 -120.89 GPRESSURE: 755200 -287.938 38.0505 -84.8216 7.28609 -353.772 245.966 -68.6351 156.856 -66.5401 PRESSAVG: 755200 19.0268 -68.3218 4.53844 -68.3218 27.567 7.80763 4.53841 7.80771 -7.04377 GPRESSAVG: 755200 18.2418 -66.288 3.21371 -67.7617 28.5205 8.00957 3.7023 7.04876 -7.19923 TIMING: 755200 CPU: 2448.16, 0.00319621/step Wall: 2448.16, 0.00319621/step, 3.76869 hours remaining, 231.589844 MB of memory in use. ENERGY: 755200 3992.6104 20583.4713 14383.5517 246.9030 -203597.8177 2381.6201 0.0000 0.0000 52280.0376 -109729.6237 300.4541 -162009.6612 -109365.5051 298.8709 -265.7681 -236.0834 761673.9441 13.1833 13.1877 PRESSURE: 755400 -381.842 -238.743 -11.1347 -238.743 -283.313 -50.535 -11.1348 -50.5348 22.2869 GPRESSURE: 755400 -321.001 -169.622 34.3751 -263.13 -260.668 -49.1147 -79.1374 5.93366 28.6428 PRESSAVG: 755400 -44.6401 -31.8704 -37.9751 -31.8704 -20.4877 20.777 -37.9751 20.777 5.50677 GPRESSAVG: 755400 -44.1245 -32.6896 -37.3322 -32.7997 -20.6636 21.0906 -35.9826 19.3103 5.81752 TIMING: 755400 CPU: 2448.8, 0.00316392/step Wall: 2448.8, 0.00316392/step, 3.73043 hours remaining, 231.589844 MB of memory in use. ENERGY: 755400 4045.9876 20616.7931 14414.4254 262.8590 -202960.2146 2116.1530 0.0000 0.0000 51868.2171 -109635.7794 298.0874 -161503.9965 -109277.3405 298.9924 -214.2895 -184.3421 761464.4541 -19.8737 -19.6569 PRESSURE: 755600 -228.738 64.5844 -145.743 64.5846 10.7446 121.189 -145.743 121.19 16.3948 GPRESSURE: 755600 -169.545 -20.6007 -163.754 -102.051 -32.266 159.509 -27.209 50.8551 47.3448 PRESSAVG: 755600 -40.7252 -28.5286 33.9285 -28.5287 33.0432 1.9169 33.9285 1.9169 3.31072 GPRESSAVG: 755600 -41.39 -28.2001 32.8913 -29.5723 33.0208 1.8336 31.746 2.01843 4.21093 TIMING: 755600 CPU: 2449.43, 0.00316467/step Wall: 2449.43, 0.00316467/step, 3.73114 hours remaining, 231.589844 MB of memory in use. ENERGY: 755600 4016.8166 20650.2849 14416.1796 244.8757 -203300.8102 2468.7180 0.0000 0.0000 51780.8235 -109723.1119 297.5851 -161503.9354 -109363.2867 298.8372 -67.1996 -51.4889 761428.7059 -1.4571 -1.3861 PRESSURE: 755800 -46.8992 -233.512 -48.9687 -233.512 -112.33 187.933 -48.9694 187.934 -187.569 GPRESSURE: 755800 -0.0393665 -119.35 91.2606 -211.01 -87.004 140.152 33.7645 164.536 -173.494 PRESSAVG: 755800 8.68866 -88.2875 61.8252 -88.2875 8.31017 15.8646 61.8252 15.8645 -2.67402 GPRESSAVG: 755800 10.1643 -88.4191 64.5062 -86.5747 8.24118 16.7722 63.573 17.0558 -3.4975 TIMING: 755800 CPU: 2450.06, 0.0031693/step Wall: 2450.06, 0.0031693/step, 3.73643 hours remaining, 231.589844 MB of memory in use. ENERGY: 755800 4017.1097 20708.1247 14376.8873 252.0260 -203375.4342 2307.5669 0.0000 0.0000 51971.9297 -109741.7900 298.6834 -161713.7197 -109383.7642 298.8383 -115.5994 -86.8458 761429.2102 4.7749 4.9693 PRESSURE: 756000 79.4269 -117.994 -292.917 -117.994 34.0555 -178.614 -292.917 -178.613 -294.639 GPRESSURE: 756000 152.591 -102.31 -279.977 -42.1264 -3.52259 -91.6691 -367.291 -243.14 -222.11 PRESSAVG: 756000 -42.3825 -83.1904 28.344 -83.1904 20.5719 8.86887 28.344 8.86892 21.7873 GPRESSAVG: 756000 -42.116 -81.8856 27.6061 -83.0695 20.9042 8.79223 28.939 8.43961 21.599 TIMING: 756000 CPU: 2450.7, 0.00315836/step Wall: 2450.7, 0.00315836/step, 3.72335 hours remaining, 231.589844 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: 756000 3985.5454 20619.1662 14436.6684 236.8351 -203445.8419 2595.6138 0.0000 0.0000 51858.2650 -109713.7481 298.0302 -161572.0130 -109350.6254 299.2782 -60.3855 -24.3470 760757.1386 -0.0078 0.1291 PRESSURE: 756200 0.748677 84.8895 -134.25 84.8901 -185.147 100.964 -134.25 100.964 -250.162 GPRESSURE: 756200 31.4066 18.5308 -170.803 54.4629 -117.907 91.4869 -170.253 108.389 -234.574 PRESSAVG: 756200 6.05241 -52.3928 0.119754 -52.3927 38.0903 28.4778 0.119758 28.4778 14.0771 GPRESSAVG: 756200 4.91897 -53.4157 -1.03726 -53.5 38.5126 28.5514 -1.27364 31.0397 14.5283 TIMING: 756200 CPU: 2451.33, 0.00317514/step Wall: 2451.33, 0.00317514/step, 3.74296 hours remaining, 231.589844 MB of memory in use. ENERGY: 756200 3967.6083 20390.6399 14443.7196 244.6470 -203138.5443 2560.3983 0.0000 0.0000 51957.5259 -109574.0053 298.6006 -161531.5313 -109213.9862 299.2536 -144.8535 -107.0250 760732.8788 19.4066 19.3199 LDB: ============= START OF LOAD BALANCING ============== 2463.75 LDB: ============== END OF LOAD BALANCING =============== 2463.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2463.75 LDB: ============= START OF LOAD BALANCING ============== 2464.07 LDB: Largest compute 7025 load 0.037713 is 19.3% of average load 0.195082 LDB: Average compute 0.004397 is 2.3% of average load 0.195082 LDB: TIME 2464.07 LOAD: AVG 0.195082 MAX 0.215427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.422 MB LDB: TIME 2464.08 LOAD: AVG 0.195082 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.582 MB LDB: TIME 2464.08 LOAD: AVG 0.195082 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.582 MB LDB: ============== END OF LOAD BALANCING =============== 2464.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2464.08 PRESSURE: 756400 -358.434 -13.009 164.791 -13.0095 -45.6556 -197.968 164.791 -197.968 8.65219 GPRESSURE: 756400 -275.26 38.239 216.125 -42.4126 51.4818 -191.659 152.713 -288.332 -85.9651 PRESSAVG: 756400 -17.6178 -60.6612 -23.7614 -60.6612 14.1315 38.3456 -23.7614 38.3455 37.6194 GPRESSAVG: 756400 -17.81 -61.4371 -24.0876 -58.2793 14.6185 38.4274 -23.2517 35.0098 37.0744 TIMING: 756400 CPU: 2451.98, 0.00322711/step Wall: 2451.98, 0.00322711/step, 3.80404 hours remaining, 232.250000 MB of memory in use. ENERGY: 756400 3996.7155 20514.1856 14444.0046 251.7175 -203077.5155 2244.0904 0.0000 0.0000 52131.9653 -109494.8366 299.6031 -161626.8018 -109125.1008 299.3917 -131.8123 -103.2479 760841.9693 11.3777 11.2943 PRESSURE: 756600 -317.557 40.8734 -101.537 40.8725 -233.286 8.10545 -101.537 8.10489 -62.5781 GPRESSURE: 756600 -218.909 35.4171 -159.46 81.0061 -278.162 36.9311 -43.6852 139.855 -10.0406 PRESSAVG: 756600 -23.0144 -73.1426 36.1869 -73.1426 46.931 21.7825 36.1869 21.7825 11.198 GPRESSAVG: 756600 -23.3354 -71.1349 38.3327 -74.8039 46.9321 22.6109 35.6762 24.193 11.3906 TIMING: 756600 CPU: 2452.61, 0.00315284/step Wall: 2452.61, 0.00315284/step, 3.71632 hours remaining, 232.449219 MB of memory in use. ENERGY: 756600 3971.7341 20409.5616 14421.4245 249.4096 -203241.8586 2429.5312 0.0000 0.0000 52361.1379 -109399.0597 300.9202 -161760.1976 -109041.4698 299.4879 -204.4737 -169.0374 761477.7795 11.7049 11.6624 PRESSURE: 756800 -87.2066 -41.3757 -62.5087 -41.3756 9.83336 37.8195 -62.5093 37.8208 511.99 GPRESSURE: 756800 56.1075 2.04781 -57.0176 -67.5674 71.5659 18.5742 4.62032 95.4331 401.007 PRESSAVG: 756800 44.7308 -29.3717 -11.5872 -29.3717 -0.971908 36.6272 -11.5872 36.6272 -5.17992 GPRESSAVG: 756800 44.9462 -29.1462 -13.5273 -30.2319 -1.31941 35.8075 -11.7362 35.4705 -4.98422 TIMING: 756800 CPU: 2453.24, 0.0031596/step Wall: 2453.24, 0.0031596/step, 3.72412 hours remaining, 232.574219 MB of memory in use. ENERGY: 756800 4007.1339 20520.6346 14433.1175 264.5072 -203457.9179 2721.5786 0.0000 0.0000 51963.9283 -109547.0179 298.6374 -161510.9462 -109182.2837 299.0098 144.8722 176.2267 759436.8817 12.8597 12.8809 PRESSURE: 757000 -374.716 -144.628 -112.343 -144.628 -115.084 44.8438 -112.342 44.8441 -168.875 GPRESSURE: 757000 -402.664 -106.495 -94.037 -172.857 -71.2021 -42.0845 -95.3322 58.0411 -110.629 PRESSAVG: 757000 -4.72897 -22.321 17.2783 -22.321 15.2197 11.2424 17.2783 11.2425 13.0303 GPRESSAVG: 757000 -4.06149 -24.1867 18.4922 -18.9279 15.5117 11.9364 17.9881 10.699 12.0197 TIMING: 757000 CPU: 2453.87, 0.00315601/step Wall: 2453.87, 0.00315601/step, 3.71971 hours remaining, 232.574219 MB of memory in use. ENERGY: 757000 4009.3138 20495.3242 14415.6617 239.4034 -203308.2945 2249.6527 0.0000 0.0000 52233.6009 -109665.3378 300.1872 -161898.9387 -109292.8135 299.7274 -219.5583 -194.8319 760849.3789 7.8404 7.8233 PRESSURE: 757200 30.7474 -87.1279 18.0197 -87.1281 198.959 -71.7955 18.0207 -71.7959 361.085 GPRESSURE: 757200 113.533 -66.5246 92.507 -90.1317 184.605 -0.116583 173.528 -41.4008 382.929 PRESSAVG: 757200 24.5092 -94.4933 6.63033 -94.4932 -45.5636 -29.8288 6.63029 -29.8289 0.479961 GPRESSAVG: 757200 23.342 -92.9257 6.86683 -95.886 -44.8144 -29.7968 6.83518 -28.1681 0.745532 TIMING: 757200 CPU: 2454.5, 0.0031392/step Wall: 2454.5, 0.0031392/step, 3.69972 hours remaining, 232.777344 MB of memory in use. ENERGY: 757200 3870.4446 20579.0490 14518.3817 260.5990 -203485.1900 2694.9569 0.0000 0.0000 52009.8440 -109551.9148 298.9013 -161561.7588 -109185.7412 299.2273 196.9303 227.0225 760935.9288 -6.8582 -6.9089 PRESSURE: 757400 197.52 66.7826 125.711 66.7817 146.734 330.167 125.711 330.168 132.329 GPRESSURE: 757400 223.328 33.3479 115.054 110.862 211.594 333.736 50.4981 241.53 143.201 PRESSAVG: 757400 16.1162 -5.0552 -3.74186 -5.0552 4.33614 -1.2808 -3.74193 -1.2807 -6.6943 GPRESSAVG: 757400 16.5812 -3.72836 -4.18816 -6.35168 3.72316 -0.618324 -4.70916 -2.20126 -6.6888 TIMING: 757400 CPU: 2455.13, 0.00315356/step Wall: 2455.13, 0.00315356/step, 3.71648 hours remaining, 232.777344 MB of memory in use. ENERGY: 757400 4011.7343 20622.0478 14388.8421 256.2664 -203499.3259 2457.6673 0.0000 0.0000 52032.0422 -109730.7257 299.0289 -161762.7679 -109366.2048 299.2456 158.8610 192.7073 760875.7613 4.5860 4.5385 PRESSURE: 757600 6.43044 -70.4226 -96.996 -70.4231 250.847 62.0653 -96.9951 62.066 47.2492 GPRESSURE: 757600 47.1482 -115.022 -14.5607 -34.8693 225.693 68.4336 -37.9149 -53.061 104.087 PRESSAVG: 757600 -6.77177 42.3005 62.8413 42.3005 25.2336 -2.96005 62.8413 -2.96006 0.4747 GPRESSAVG: 757600 -6.06015 41.83 63.3666 43.0458 25.051 -2.80671 61.9003 -2.2197 0.400702 TIMING: 757600 CPU: 2455.76, 0.00313377/step Wall: 2455.76, 0.00313377/step, 3.69297 hours remaining, 232.777344 MB of memory in use. ENERGY: 757600 3903.6472 20576.7447 14410.7495 251.0959 -203347.5693 2314.9116 0.0000 0.0000 52135.6512 -109754.7692 299.6243 -161890.4204 -109385.7819 299.2072 101.5088 125.6426 759624.8728 6.3122 6.4638 PRESSURE: 757800 115.71 -106.971 57.7533 -106.971 107.044 -35.671 57.7536 -35.6707 -525.847 GPRESSURE: 757800 65.9872 -69.3223 90.263 -86.7959 171.02 -53.0937 -106.24 -97.3323 -469.057 PRESSAVG: 757800 -14.6626 -15.5903 -64.7289 -15.5904 17.7672 12.5353 -64.7288 12.5353 -0.843272 GPRESSAVG: 757800 -14.5918 -15.5158 -65.9429 -15.577 17.9625 12.556 -62.6248 11.2559 -1.0336 TIMING: 757800 CPU: 2456.39, 0.00316641/step Wall: 2456.39, 0.00316641/step, 3.73127 hours remaining, 232.777344 MB of memory in use. ENERGY: 757800 4008.5042 20691.8601 14415.1841 221.5672 -203676.4716 2492.0124 0.0000 0.0000 51875.3238 -109972.0198 298.1282 -161847.3436 -109617.6411 299.0059 -101.0311 -77.3498 759118.6403 0.7538 0.7790 PRESSURE: 758000 77.382 -78.6208 165.316 -78.62 174.094 -54.459 165.316 -54.4586 108.406 GPRESSURE: 758000 124.212 -42.3617 47.2504 -106.804 181.923 -56.1971 223.373 -18.1017 130.029 PRESSAVG: 758000 41.9719 -20.0186 -6.24458 -20.0186 -7.06783 25.751 -6.24458 25.751 0.673942 GPRESSAVG: 758000 42.1165 -21.508 -2.4065 -18.9461 -7.91648 24.4712 -9.3258 27.1326 1.09291 TIMING: 758000 CPU: 2457.02, 0.00316494/step Wall: 2457.02, 0.00316494/step, 3.72936 hours remaining, 232.777344 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: 758000 3991.8231 20565.2219 14402.0476 263.9245 -203647.1233 2572.4568 0.0000 0.0000 52036.9471 -109814.7023 299.0571 -161851.6494 -109451.5583 297.9238 119.9606 145.3880 758479.6105 11.8593 11.7643 PRESSURE: 758200 -286.723 -149.861 481.081 -149.861 -233.772 78.5571 481.08 78.5556 184.627 GPRESSURE: 758200 -276.436 -76.2992 398.857 -60.2594 -146.672 71.8975 400.937 132.551 165.19 PRESSAVG: 758200 -21.5614 -52.2133 -34.0064 -52.2133 11.9894 26.9237 -34.0065 26.9238 16.0307 GPRESSAVG: 758200 -21.9994 -50.9635 -38.0431 -54.4085 13.3084 28.9825 -31.3582 25.4803 14.6819 TIMING: 758200 CPU: 2457.66, 0.00317595/step Wall: 2457.66, 0.00317595/step, 3.74215 hours remaining, 232.777344 MB of memory in use. ENERGY: 758200 3993.1656 20632.4993 14411.2889 248.4692 -203210.8815 2324.2105 0.0000 0.0000 51797.0957 -109804.1523 297.6786 -161601.2481 -109440.5331 298.2806 -111.9558 -85.9729 760991.8395 2.1529 1.9969 PRESSURE: 758400 -97.9392 8.18051 -31.5066 8.17989 25.8661 -140.492 -31.5068 -140.491 62.1522 GPRESSURE: 758400 69.0559 -5.53162 -31.6121 19.2775 -40.7868 -110.898 -16.3462 -110.911 55.2677 PRESSAVG: 758400 -3.13557 -47.2233 18.5846 -47.2233 -18.15 52.2811 18.5845 52.2812 -22.0843 GPRESSAVG: 758400 -2.89757 -47.121 19.9493 -47.2665 -19.7086 51.6918 17.4939 53.7415 -20.948 TIMING: 758400 CPU: 2458.28, 0.00313729/step Wall: 2458.28, 0.00313729/step, 3.69642 hours remaining, 232.777344 MB of memory in use. ENERGY: 758400 3962.1555 20550.5520 14369.9098 269.3506 -203709.1255 2810.1327 0.0000 0.0000 52083.5363 -109663.4886 299.3248 -161747.0249 -109300.3464 298.3940 -3.3070 27.8456 762964.4433 -14.4566 -14.5180 PRESSURE: 758600 -246.228 -162.161 -46.8289 -162.161 6.8479 -52.2372 -46.8294 -52.237 -36.0262 GPRESSURE: 758600 -53.7345 -132.142 -115.467 -95.7427 -5.84132 -36.3613 -117.061 -139.002 -131.946 PRESSAVG: 758600 -16.2917 -63.622 -48.726 -63.6221 41.8403 31.2207 -48.7261 31.2207 33.2994 GPRESSAVG: 758600 -14.7229 -64.7833 -49.7143 -62.6422 42.5629 30.0838 -46.4283 30.5216 31.2933 TIMING: 758600 CPU: 2458.91, 0.00314903/step Wall: 2458.91, 0.00314903/step, 3.71008 hours remaining, 232.777344 MB of memory in use. ENERGY: 758600 4013.8390 20545.8673 14405.5178 258.0680 -203725.8312 2521.8068 0.0000 0.0000 52342.9439 -109637.7885 300.8156 -161980.7323 -109271.8270 298.9094 -91.8020 -63.8407 760946.4510 19.6160 19.7111 PRESSURE: 758800 -20.2658 -19.2261 -195.952 -19.2258 -332.707 92.1376 -195.951 92.1377 -48.0558 GPRESSURE: 758800 -64.8204 -23.0421 -155.232 -52.3993 -213.004 125.109 -180.099 69.0362 -49.8359 PRESSAVG: 758800 -18.5234 -49.942 -45.5944 -49.942 19.8174 0.0512173 -45.5943 0.0511849 -19.4893 GPRESSAVG: 758800 -20.609 -50.5291 -45.8564 -49.0372 19.7488 -0.29031 -45.5842 -0.145734 -17.8612 TIMING: 758800 CPU: 2459.55, 0.00316302/step Wall: 2459.55, 0.00316302/step, 3.72639 hours remaining, 232.777344 MB of memory in use. ENERGY: 758800 3968.8576 20571.9054 14462.5948 249.2807 -203415.0854 2481.4079 0.0000 0.0000 51994.3855 -109686.6535 298.8124 -161681.0390 -109326.5677 299.1660 -133.6760 -109.2200 760999.1804 -6.0651 -6.2405 PRESSURE: 759000 138.445 -91.8232 81.0303 -91.8236 -32.4274 56.5274 81.0313 56.5274 102.29 GPRESSURE: 759000 116.785 -152.894 45.9717 -79.198 73.4689 -34.0352 137.098 101.787 97.7962 PRESSAVG: 759000 -15.5988 -29.9703 7.99479 -29.9703 -17.7231 -65.4363 7.99475 -65.4364 -2.32935 GPRESSAVG: 759000 -15.3821 -31.3343 8.11002 -29.3465 -17.4761 -65.0287 8.28992 -64.8828 -2.44333 TIMING: 759000 CPU: 2460.18, 0.00315884/step Wall: 2460.18, 0.00315884/step, 3.72129 hours remaining, 232.777344 MB of memory in use. ENERGY: 759000 4040.5796 20554.3926 14453.8678 234.0179 -203516.0351 2635.3027 0.0000 0.0000 51965.4237 -109632.4508 298.6460 -161597.8745 -109279.0787 299.2121 69.4359 96.0167 760581.1692 -11.8838 -11.7672 PRESSURE: 759200 -120.139 -265.405 135.033 -265.406 135.041 -10.4332 135.033 -10.4325 282.02 GPRESSURE: 759200 -48.895 -184.595 212.626 -106.369 170.822 -24.7672 129.036 13.7094 260.105 PRESSAVG: 759200 4.57959 -82.0014 44.6508 -82.0014 26.9536 -23.8927 44.6508 -23.8927 19.224 GPRESSAVG: 759200 6.10566 -80.15 45.9589 -83.4804 25.3133 -22.3907 41.3276 -24.2177 19.4998 TIMING: 759200 CPU: 2460.82, 0.00318486/step Wall: 2460.82, 0.00318486/step, 3.75176 hours remaining, 232.777344 MB of memory in use. ENERGY: 759200 4023.6592 20585.6747 14409.3079 235.7131 -203369.2500 2460.8914 0.0000 0.0000 52030.6060 -109623.3977 299.0206 -161654.0037 -109262.3960 299.1144 98.9739 127.3437 760940.4354 16.9190 16.9729 PRESSURE: 759400 -96.1513 -19.9878 36.4878 -19.9879 332.032 -96.79 36.4879 -96.7905 31.926 GPRESSURE: 759400 -44.1202 -43.7145 22.2891 -14.3275 404.296 -78.9419 -6.21523 -71.801 2.78774 PRESSAVG: 759400 11.225 -59.5131 -43.0106 -59.5132 -16.2586 -5.30802 -43.0105 -5.30793 -8.38174 GPRESSAVG: 759400 10.0721 -60.7033 -44.7679 -59.0016 -14.4151 -5.45585 -41.7889 -4.9971 -8.87166 TIMING: 759400 CPU: 2461.45, 0.00317051/step Wall: 2461.45, 0.00317051/step, 3.73469 hours remaining, 232.777344 MB of memory in use. ENERGY: 759400 3931.3560 20619.7811 14409.7973 239.9930 -203574.1855 2605.6123 0.0000 0.0000 52129.9078 -109637.7379 299.5913 -161767.6457 -109270.8884 299.4414 89.2689 120.9878 760586.3278 -4.4718 -4.4049 PRESSURE: 759600 -195.094 -126.486 -60.6168 -126.488 -34.4876 -67.1807 -60.6168 -67.1826 -409.97 GPRESSURE: 759600 -63.1286 -106.344 -110.929 -89.1216 -68.608 -55.7535 120.097 -132.437 -411.822 PRESSAVG: 759600 1.70313 -53.9977 10.9916 -53.9977 15.9058 13.6856 10.9916 13.6857 14.6629 GPRESSAVG: 759600 2.44231 -53.9951 11.3543 -54.6193 15.0171 12.0271 10.9148 13.1947 15.594 TIMING: 759600 CPU: 2462.08, 0.0031595/step Wall: 2462.08, 0.0031595/step, 3.72155 hours remaining, 232.777344 MB of memory in use. ENERGY: 759600 3998.5166 20518.0847 14413.8140 275.2721 -203014.8633 2337.5535 0.0000 0.0000 51774.0313 -109697.5910 297.5461 -161471.6224 -109341.5095 299.1426 -213.1837 -181.1862 760673.7109 10.7573 11.0178 PRESSURE: 759800 -55.9801 -15.8803 -247.967 -15.8813 314.466 77.0828 -247.967 77.0833 11.8843 GPRESSURE: 759800 7.42187 -4.37718 -204.709 30.2857 307.513 39.0982 -151.726 33.5994 47.9458 PRESSAVG: 759800 -24.2607 -76.505 -7.71812 -76.505 5.58734 -29.129 -7.71817 -29.129 -18.3731 GPRESSAVG: 759800 -24.6561 -73.5084 -9.13559 -78.1617 7.60086 -27.9947 -7.39827 -28.6555 -19.624 TIMING: 759800 CPU: 2462.71, 0.0031615/step Wall: 2462.71, 0.0031615/step, 3.72372 hours remaining, 232.777344 MB of memory in use. ENERGY: 759800 4032.3608 20556.6835 14471.6331 243.9959 -203711.0086 2586.7755 0.0000 0.0000 52030.4909 -109789.0689 299.0199 -161819.5598 -109422.9498 298.2412 90.1233 120.9604 761348.8213 -12.3488 -12.2264 PRESSURE: 760000 -248.577 -131.483 232.782 -131.483 -73.9095 12.6189 232.782 12.6187 -79.6019 GPRESSURE: 760000 -219.599 -72.4634 201.135 -195.483 25.9852 53.6222 224.161 83.2059 -128.646 PRESSAVG: 760000 -3.7197 -31.5374 50.1958 -31.5374 10.8157 0.185529 50.1958 0.18551 17.8801 GPRESSAVG: 760000 -2.54513 -32.9565 52.4126 -31.2802 10.4317 0.763477 50.0076 0.121403 17.3469 TIMING: 760000 CPU: 2463.35, 0.00317321/step Wall: 2463.35, 0.00317321/step, 3.73734 hours remaining, 232.777344 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: 760000 3981.9365 20496.8534 14410.5798 252.2027 -203174.7375 2277.7535 0.0000 0.0000 51811.7921 -109943.6195 297.7631 -161755.4116 -109580.3875 298.9478 -134.0295 -107.4198 761164.4952 8.3254 8.4112 PRESSURE: 760200 -127.156 64.0738 201.34 64.0732 -115.501 -98.7569 201.34 -98.7569 -30.7616 GPRESSURE: 760200 -111.794 200.561 149.872 82.0259 -14.0266 -162.785 107.897 -190.783 -62.7642 PRESSAVG: 760200 18.9059 -75.4053 42.5528 -75.4053 -16.6308 37.9368 42.5528 37.9368 -8.3929 GPRESSAVG: 760200 17.8282 -75.381 43.5624 -75.4331 -15.9019 36.8157 41.8457 38.3066 -8.16388 TIMING: 760200 CPU: 2463.98, 0.00313751/step Wall: 2463.98, 0.00313751/step, 3.69512 hours remaining, 232.777344 MB of memory in use. ENERGY: 760200 4046.8913 20589.4178 14390.0365 246.8393 -203493.0709 2317.9082 0.0000 0.0000 52006.7136 -109895.2642 298.8833 -161901.9778 -109536.3936 298.5233 -91.1398 -62.8616 759811.6989 -2.0392 -2.0792 LDB: ============= START OF LOAD BALANCING ============== 2476.4 LDB: ============== END OF LOAD BALANCING =============== 2476.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2476.4 LDB: ============= START OF LOAD BALANCING ============== 2476.71 LDB: Largest compute 7025 load 0.038131 is 19.5% of average load 0.195134 LDB: Average compute 0.004390 is 2.2% of average load 0.195134 LDB: TIME 2476.72 LOAD: AVG 0.195134 MAX 0.213482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 2476.72 LOAD: AVG 0.195134 MAX 0.213482 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.297 MB LDB: TIME 2476.72 LOAD: AVG 0.195134 MAX 0.213482 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.297 MB LDB: ============== END OF LOAD BALANCING =============== 2476.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2476.72 PRESSURE: 760400 263.803 -68.2774 119.338 -68.2776 49.9351 125.783 119.338 125.783 0.589545 GPRESSURE: 760400 292.048 -24.8231 79.6528 -248.746 28.2877 158.11 18.5013 45.4263 81.4853 PRESSAVG: 760400 -39.4652 -46.2439 32.3902 -46.2439 10.4567 3.12094 32.3902 3.12094 -8.19369 GPRESSAVG: 760400 -38.7938 -46.6653 30.7523 -46.4941 8.72925 4.34241 34.0243 1.73232 -6.68932 TIMING: 760400 CPU: 2464.62, 0.00320823/step Wall: 2464.62, 0.00320823/step, 3.77823 hours remaining, 231.320312 MB of memory in use. ENERGY: 760400 3966.3177 20547.4624 14407.4433 238.4772 -203821.0972 2758.6418 0.0000 0.0000 51958.9774 -109943.7774 298.6090 -161902.7548 -109587.9487 298.9040 104.7759 133.9402 758697.0394 -12.4007 -12.2513 PRESSURE: 760600 13.268 -41.7223 -315.85 -41.7228 142.803 -32.1752 -315.85 -32.1738 525.732 GPRESSURE: 760600 124.618 -96.805 -262.679 -45.8804 162.103 -43.7737 -263.826 -23.0967 478.127 PRESSAVG: 760600 12.9762 -75.4376 18.3506 -75.4375 4.70738 -40.6713 18.3506 -40.6713 15.2112 GPRESSAVG: 760600 12.7954 -77.9504 19.0406 -74.8092 5.20569 -40.1223 18.0048 -40.3028 14.8582 TIMING: 760600 CPU: 2465.25, 0.00316247/step Wall: 2465.25, 0.00316247/step, 3.72416 hours remaining, 231.843750 MB of memory in use. ENERGY: 760600 3951.5017 20600.1564 14412.9139 246.6174 -204388.7978 3148.7271 0.0000 0.0000 52037.7874 -109991.0938 299.0619 -162028.8812 -109631.2355 298.8034 227.2678 254.9493 759934.1207 10.9649 10.9531 PRESSURE: 760800 -374.292 -267.913 207.985 -267.912 -177.755 70.1328 207.986 70.1315 -47.0115 GPRESSURE: 760800 -295.19 -161.622 231.134 -122.305 -204.115 -1.61827 316.298 30.9664 -9.0903 PRESSAVG: 760800 -8.18698 -41.6048 18.1843 -41.6049 -2.82621 -50.9794 18.1844 -50.9793 1.03761 GPRESSAVG: 760800 -8.0419 -37.8407 17.4781 -43.3506 -2.5158 -52.6544 15.6162 -51.1265 0.670595 TIMING: 760800 CPU: 2465.88, 0.00314115/step Wall: 2465.88, 0.00314115/step, 3.69887 hours remaining, 231.843750 MB of memory in use. ENERGY: 760800 4040.8262 20476.5742 14487.6756 256.6778 -203839.0812 2552.9755 0.0000 0.0000 51922.9692 -110101.3827 298.4020 -162024.3519 -109740.0871 298.9539 -199.6863 -169.4651 760691.9503 -3.3252 -3.2957 PRESSURE: 761000 -40.6639 -65.4116 24.5536 -65.4115 -624.172 -92.091 24.554 -92.0904 -245.771 GPRESSURE: 761000 13.7624 -8.81103 55.3332 -95.5032 -539.566 -73.2709 -121.664 -83.8366 -301.455 PRESSAVG: 761000 12.6483 -45.9464 30.2018 -45.9465 18.818 -7.20392 30.2018 -7.2039 19.0525 GPRESSAVG: 761000 12.5588 -46.7539 31.2044 -43.6764 19.262 -6.29589 30.7494 -6.98193 18.064 TIMING: 761000 CPU: 2466.51, 0.00315427/step Wall: 2466.51, 0.00315428/step, 3.71416 hours remaining, 231.843750 MB of memory in use. ENERGY: 761000 3987.9241 20484.7370 14466.4897 239.3150 -203444.9997 2194.0360 0.0000 0.0000 51880.2809 -110192.2170 298.1567 -162072.4979 -109833.8648 298.0393 -303.5358 -275.7526 760808.0500 16.8396 16.6283 PRESSURE: 761200 -220.408 206.925 194.169 206.924 211.596 -1.12927 194.169 -1.12875 -51.4619 GPRESSURE: 761200 -200.364 62.7679 215.594 208.059 252.846 24.1666 95.4934 144.01 -28.2258 PRESSAVG: 761200 -18.7523 -53.0145 22.7943 -53.0145 31.9642 7.50931 22.7943 7.50929 16.2763 GPRESSAVG: 761200 -18.2089 -54.2847 21.9681 -52.5296 30.9755 7.26248 24.4325 7.89944 16.5967 TIMING: 761200 CPU: 2467.14, 0.00315689/step Wall: 2467.14, 0.00315689/step, 3.71706 hours remaining, 231.851562 MB of memory in use. ENERGY: 761200 4060.7894 20447.9838 14348.3195 239.5953 -203814.1834 2573.1144 0.0000 0.0000 52109.9866 -110034.3944 299.4768 -162144.3810 -109672.9443 298.5252 -20.0913 8.0852 760316.0377 9.8294 9.7878 PRESSURE: 761400 5.91201 244.47 -199.889 244.47 10.2991 103.747 -199.888 103.746 -229.284 GPRESSURE: 761400 79.591 248.55 -250.485 241.16 -18.539 70.0482 -87.037 -35.7942 -185.876 PRESSAVG: 761400 -10.7341 -48.3993 -5.01862 -48.3994 1.80861 -12.7507 -5.01857 -12.7506 18.1841 GPRESSAVG: 761400 -10.3053 -46.4864 -4.79954 -48.9588 0.952849 -13.2319 -6.24875 -12.5997 18.7796 TIMING: 761400 CPU: 2467.77, 0.0031414/step Wall: 2467.77, 0.0031414/step, 3.69865 hours remaining, 231.851562 MB of memory in use. ENERGY: 761400 3964.0416 20519.9488 14477.1500 255.4622 -203375.1707 2367.9907 0.0000 0.0000 51992.8531 -109797.7244 298.8036 -161790.5775 -109441.2291 299.1018 -71.0242 -41.6080 758907.9320 3.0862 3.1424 PRESSURE: 761600 -11.3325 197.439 31.1317 197.438 329.698 204.505 31.1313 204.506 -69.0817 GPRESSURE: 761600 -7.0559 124.512 31.3032 142.923 456.03 197.068 85.7856 79.3583 -93.2989 PRESSAVG: 761600 -19.2795 22.8279 -30.6863 22.8279 29.1169 -77.5477 -30.6863 -77.5477 -7.10759 GPRESSAVG: 761600 -19.273 23.4276 -31.1462 22.1191 28.9028 -77.8532 -29.0786 -80.6112 -7.16564 TIMING: 761600 CPU: 2468.4, 0.00313537/step Wall: 2468.4, 0.00313537/step, 3.69137 hours remaining, 231.851562 MB of memory in use. ENERGY: 761600 3939.2947 20544.3701 14387.5521 248.7782 -203260.4207 2263.0132 0.0000 0.0000 52178.2757 -109699.1367 299.8693 -161877.4124 -109332.5060 298.7605 83.0947 118.5584 758858.2159 0.9099 0.8214 PRESSURE: 761800 -134.399 20.2418 -43.874 20.2422 397.656 123.176 -43.8749 123.177 38.8652 GPRESSURE: 761800 -21.4956 -16.0821 -76.7311 2.32802 337.362 119.22 -108.425 11.5145 86.5308 PRESSAVG: 761800 -37.3633 10.3048 -5.92926 10.3047 53.0927 2.03345 -5.92926 2.03346 3.00628 GPRESSAVG: 761800 -38.8093 9.46976 -5.40758 11.8562 53.8793 2.18895 -6.33303 3.81942 3.2026 TIMING: 761800 CPU: 2469.03, 0.00315507/step Wall: 2469.03, 0.00315507/step, 3.71439 hours remaining, 231.851562 MB of memory in use. ENERGY: 761800 3947.2896 20542.4800 14411.7760 244.1866 -203618.9804 2607.3277 0.0000 0.0000 52026.4444 -109839.4761 298.9967 -161865.9205 -109484.7403 298.9950 100.7075 134.1323 760820.6062 6.2452 6.0909 PRESSURE: 762000 114.611 -18.1264 217.778 -18.1274 9.56984 98.5499 217.777 98.5496 -327.619 GPRESSURE: 762000 104.72 -40.0789 134.189 -66.3849 60.786 87.3007 208.192 42.3655 -275.979 PRESSAVG: 762000 -13.7435 -9.90565 42.9099 -9.9057 -0.166196 39.0392 42.9099 39.0392 -13.2706 GPRESSAVG: 762000 -13.6115 -10.2866 42.596 -11.3372 1.15551 39.6567 41.8405 37.8018 -14.2749 TIMING: 762000 CPU: 2469.66, 0.0031752/step Wall: 2469.66, 0.0031752/step, 3.73791 hours remaining, 231.851562 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: 762000 4018.0913 20460.5598 14440.8219 249.8343 -203372.7669 2398.3836 0.0000 0.0000 52268.2766 -109536.7994 300.3865 -161805.0760 -109165.9851 299.3329 -67.8125 -36.8243 758829.7848 -9.0601 -8.9103 PRESSURE: 762200 -138.641 -118.018 22.6835 -118.019 -244.451 -42.8225 22.6834 -42.8225 -436.718 GPRESSURE: 762200 -143.623 -187.059 89.8044 -55.038 -144.836 -52.5501 -40.0307 -28.0061 -449.517 PRESSAVG: 762200 39.4968 -77.1532 19.0524 -77.1533 13.0097 -11.2064 19.0523 -11.2064 -6.05026 GPRESSAVG: 762200 39.2072 -77.224 18.5395 -77.4816 11.9065 -12.7437 20.0212 -9.6706 -5.10726 TIMING: 762200 CPU: 2470.3, 0.00317314/step Wall: 2470.3, 0.00317314/step, 3.73532 hours remaining, 231.851562 MB of memory in use. ENERGY: 762200 3995.8591 20446.8371 14442.0047 265.4405 -203175.1720 2227.8967 0.0000 0.0000 52241.1121 -109556.0218 300.2304 -161797.1339 -109181.5799 299.4420 -273.2698 -245.9919 760250.2408 15.4854 15.3355 PRESSURE: 762400 53.3633 151.225 -52.3603 151.224 136.808 -54.2763 -52.3607 -54.2761 120.586 GPRESSURE: 762400 60.7457 67.3602 -28.9391 147.351 210.047 -120.459 99.6959 -142.317 131.443 PRESSAVG: 762400 35.0271 -79.0447 31.6274 -79.0448 -85.2904 28.6346 31.6274 28.6346 -4.9061 GPRESSAVG: 762400 36.8368 -77.4241 35.1069 -78.1328 -86.2829 28.4666 29.828 27.7554 -5.62046 TIMING: 762400 CPU: 2470.93, 0.00316262/step Wall: 2470.93, 0.00316262/step, 3.72275 hours remaining, 231.851562 MB of memory in use. ENERGY: 762400 4035.2289 20402.9357 14432.4431 247.8867 -203496.9853 2462.5664 0.0000 0.0000 52122.5751 -109793.3494 299.5492 -161915.9245 -109432.4102 299.2236 103.5857 134.0787 760814.6402 -18.3898 -18.3555 PRESSURE: 762600 172.36 -151.944 96.1977 -151.944 121.044 109.029 96.1975 109.029 -175.15 GPRESSURE: 762600 188.621 -215.7 47.4823 -187.081 174.335 80.1855 142.84 60.9484 -113.231 PRESSAVG: 762600 33.0649 -48.949 34.8819 -48.949 -21.1184 57.1831 34.882 57.183 -4.21626 GPRESSAVG: 762600 32.4035 -50.4513 31.8085 -49.4438 -20.8634 58.6258 36.9129 58.687 -3.82261 TIMING: 762600 CPU: 2471.56, 0.00316328/step Wall: 2471.56, 0.00316328/step, 3.72335 hours remaining, 231.851562 MB of memory in use. ENERGY: 762600 3922.5805 20471.5735 14364.2202 252.1727 -203305.2836 2443.0234 0.0000 0.0000 51989.1427 -109862.5707 298.7823 -161851.7134 -109502.5413 298.7160 39.4180 83.2416 759767.5778 2.5767 2.5725 PRESSURE: 762800 -120.833 127.326 39.3459 127.326 -175.987 117.835 39.3459 117.835 252.297 GPRESSURE: 762800 -60.0789 29.5816 28.79 65.0403 -104.819 -1.66543 -24.2601 49.4877 218.913 PRESSAVG: 762800 61.9555 -82.664 3.69335 -82.664 -35.7548 38.1733 3.69343 38.1733 6.52558 GPRESSAVG: 762800 62.2044 -83.2661 5.14652 -83.7683 -36.0688 38.2434 3.26272 38.9271 6.50243 TIMING: 762800 CPU: 2472.19, 0.00315388/step Wall: 2472.19, 0.00315388/step, 3.71212 hours remaining, 231.851562 MB of memory in use. ENERGY: 762800 3979.9858 20366.3527 14367.6444 234.0053 -203188.9246 2469.4904 0.0000 0.0000 51882.0021 -109889.4440 298.1666 -161771.4460 -109533.1456 298.4232 -14.8410 18.0051 759602.3854 10.9088 10.8793 PRESSURE: 763000 98.506 -46.454 282.744 -46.4538 219.726 96.0782 282.745 96.0789 460.876 GPRESSURE: 763000 96.6115 -24.353 359.035 -35.9976 208.285 109.468 145.875 155.945 536.344 PRESSAVG: 763000 -11.2649 -57.8057 15.5668 -57.8057 -37.1072 1.23307 15.5667 1.23305 -24.0155 GPRESSAVG: 763000 -11.6279 -57.195 14.4815 -57.6687 -35.9564 1.19517 17.6247 -0.112617 -24.8968 TIMING: 763000 CPU: 2472.83, 0.00317605/step Wall: 2472.83, 0.00317605/step, 3.73803 hours remaining, 231.851562 MB of memory in use. ENERGY: 763000 3864.6676 20425.0045 14403.8403 233.8180 -203919.7772 2902.8786 0.0000 0.0000 52144.6153 -109944.9530 299.6758 -162089.5683 -109571.1360 297.9871 259.7029 280.4135 761657.9000 -24.1292 -24.1604 PRESSURE: 763200 -5.47914 7.66156 231.117 7.66176 154.51 -443.747 231.116 -443.747 114.749 GPRESSURE: 763200 -21.4796 139.241 172.655 -77.1979 207.321 -373.825 103.973 -326.893 168.79 PRESSAVG: 763200 -17.8342 -48.0832 25.6594 -48.0831 22.7995 5.24303 25.6594 5.243 0.776266 GPRESSAVG: 763200 -17.776 -46.7514 25.4256 -48.8305 22.4872 6.41256 23.5277 6.78788 1.82253 TIMING: 763200 CPU: 2473.46, 0.00316556/step Wall: 2473.46, 0.00316556/step, 3.72551 hours remaining, 231.851562 MB of memory in use. ENERGY: 763200 3915.0483 20355.1014 14515.0879 254.7616 -203772.1672 2672.7025 0.0000 0.0000 52045.6477 -110013.8178 299.1071 -162059.4655 -109666.3265 298.4504 87.9268 118.2104 760593.5568 1.9139 2.1779 PRESSURE: 763400 -316.773 75.7875 310.265 75.7882 -194.824 307.039 310.266 307.039 -274.895 GPRESSURE: 763400 -211.11 -33.6316 300.664 113.919 -229.072 194.14 170.463 224.685 -271.632 PRESSAVG: 763400 13.0172 10.4017 -30.3705 10.4018 -15.7349 7.42134 -30.3706 7.42144 11.8885 GPRESSAVG: 763400 13.8202 9.96364 -29.5514 11.7961 -16.4068 6.03126 -31.5292 5.57993 11.5759 TIMING: 763400 CPU: 2474.1, 0.00317208/step Wall: 2474.1, 0.00317208/step, 3.73301 hours remaining, 231.851562 MB of memory in use. ENERGY: 763400 3932.6730 20584.8389 14386.3657 248.2437 -203457.6632 2324.2962 0.0000 0.0000 51847.7958 -110133.4499 297.9700 -161981.2457 -109778.1958 297.9178 -262.1642 -237.2712 761071.3077 3.0569 2.9964 PRESSURE: 763600 266.272 -83.5038 187.908 -83.5041 68.8078 -20.2329 187.908 -20.2332 -270.727 GPRESSURE: 763600 194.358 -57.4758 164.259 -51.6997 180.005 -10.7687 239.08 76.5728 -219.649 PRESSAVG: 763600 23.5196 -13.2368 41.7433 -13.2368 1.99054 40.5226 41.7434 40.5226 8.13731 GPRESSAVG: 763600 23.1708 -13.5772 42.3455 -12.5687 3.03295 39.0842 41.4679 42.0166 7.45099 TIMING: 763600 CPU: 2474.73, 0.00316575/step Wall: 2474.73, 0.00316575/step, 3.72539 hours remaining, 231.851562 MB of memory in use. ENERGY: 763600 3940.9316 20409.6722 14456.5856 261.8812 -203997.5805 2782.6250 0.0000 0.0000 52012.9125 -110132.9724 298.9189 -162145.8849 -109771.1564 297.9433 21.4508 51.5715 761276.2852 11.2158 11.2183 PRESSURE: 763800 -262.893 10.9069 2.34403 10.9064 86.3241 63.0767 2.34425 63.0764 28.4572 GPRESSURE: 763800 -228.899 -2.44059 -69.0753 -33.1766 118.442 145.675 -28.5197 -56.147 64.5993 PRESSAVG: 763800 12.2743 -65.8415 15.1702 -65.8415 -22.1635 15.6032 15.1702 15.6032 7.42786 GPRESSAVG: 763800 11.6536 -64.8726 13.6149 -66.2282 -22.7299 16.7759 17.5068 14.7683 8.81614 TIMING: 763800 CPU: 2475.36, 0.00314489/step Wall: 2475.36, 0.00314489/step, 3.70067 hours remaining, 231.851562 MB of memory in use. ENERGY: 763800 3991.7229 20250.7943 14483.0764 272.9694 -203231.5087 2427.4929 0.0000 0.0000 52010.5746 -109794.8781 298.9055 -161805.4528 -109432.8465 298.2742 -49.3704 -15.2858 762147.9739 -0.8205 -0.7534 PRESSURE: 764000 -60.6855 81.8988 181.658 81.8977 -84.5361 -140.423 181.659 -140.424 333.709 GPRESSURE: 764000 43.05 72.9673 305.593 143.192 -31.2978 -78.1168 139.791 -168.503 276.032 PRESSAVG: 764000 58.4881 -34.4503 9.85648 -34.4503 -35.3492 28.8387 9.85646 28.8386 4.74125 GPRESSAVG: 764000 59.1453 -37.1973 11.0434 -33.2956 -34.4716 30.1263 10.3622 27.8412 3.25932 TIMING: 764000 CPU: 2475.99, 0.00318091/step Wall: 2475.99, 0.00318091/step, 3.74287 hours remaining, 231.851562 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: 764000 3889.0861 20384.4861 14532.9368 249.5893 -203726.6682 2665.7749 0.0000 0.0000 52225.3604 -109779.4346 300.1399 -162004.7950 -109414.9022 298.3690 62.8290 95.9281 759705.6256 9.2934 9.3110 PRESSURE: 764200 -138.105 -196.439 -66.0965 -196.439 18.3405 183.878 -66.0967 183.88 -101.62 GPRESSURE: 764200 -138.234 -149.904 31.7521 -184.771 33.5341 115.306 -83.1729 56.8758 -43.3959 PRESSAVG: 764200 68.8885 -43.5499 37.9684 -43.5499 -48.0822 28.7273 37.9684 28.7273 -15.9627 GPRESSAVG: 764200 68.2772 -43.6262 38.9941 -44.1218 -48.4107 27.4217 36.7149 26.7545 -15.2438 TIMING: 764200 CPU: 2476.62, 0.00315271/step Wall: 2476.62, 0.00315271/step, 3.70951 hours remaining, 231.851562 MB of memory in use. ENERGY: 764200 3934.1545 20421.2952 14504.0492 244.6549 -202942.4992 2148.1024 0.0000 0.0000 52077.3781 -109612.8649 299.2894 -161690.2430 -109250.8975 298.3720 -73.7948 -49.3652 760131.3175 1.6145 1.5409 LDB: ============= START OF LOAD BALANCING ============== 2489.05 LDB: ============== END OF LOAD BALANCING =============== 2489.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2489.05 LDB: ============= START OF LOAD BALANCING ============== 2489.36 LDB: Largest compute 7058 load 0.036949 is 18.9% of average load 0.195078 LDB: Average compute 0.004376 is 2.2% of average load 0.195078 LDB: TIME 2489.37 LOAD: AVG 0.195078 MAX 0.212442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.297 MB LDB: TIME 2489.37 LOAD: AVG 0.195078 MAX 0.212442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: TIME 2489.37 LOAD: AVG 0.195078 MAX 0.212442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: ============== END OF LOAD BALANCING =============== 2489.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2489.38 PRESSURE: 764400 232.115 -107.423 -169.537 -107.423 -202.817 -35.5023 -169.538 -35.5024 245.755 GPRESSURE: 764400 185.714 -117.885 -108.898 -3.48492 -73.0818 45.0407 -123.202 -22.2737 228.526 PRESSAVG: 764400 26.8334 -45.4882 -14.8122 -45.4882 -76.3404 24.9311 -14.8122 24.9311 -0.443198 GPRESSAVG: 764400 26.2268 -44.2532 -14.3015 -46.998 -74.7306 24.4984 -15.8885 27.5078 -0.926264 TIMING: 764400 CPU: 2477.27, 0.00322775/step Wall: 2477.27, 0.00322774/step, 3.79762 hours remaining, 232.097656 MB of memory in use. ENERGY: 764400 3974.2401 20471.0588 14530.0220 250.4338 -202882.7084 2264.7699 0.0000 0.0000 51956.0018 -109436.1819 298.5919 -161392.1838 -109078.1029 299.0188 91.6845 113.7195 760818.3583 -16.6501 -16.4767 PRESSURE: 764600 3.98556 -258.659 6.08031 -258.659 -222.101 -161.077 6.08108 -161.077 -64.604 GPRESSURE: 764600 -23.9881 -136.787 5.49335 -133.961 -127.862 -181.53 65.9751 -157.507 -33.4843 PRESSAVG: 764600 70.2315 -57.757 25.4334 -57.757 -50.8282 -4.15269 25.4335 -4.15266 -0.550762 GPRESSAVG: 764600 72.1645 -55.8395 23.7783 -56.7866 -52.989 -2.78036 26.9269 -3.82548 -0.213852 TIMING: 764600 CPU: 2477.9, 0.00315435/step Wall: 2477.9, 0.00315435/step, 3.71109 hours remaining, 232.097656 MB of memory in use. ENERGY: 764600 3990.8810 20523.7666 14580.2304 259.8786 -203469.6828 2649.9108 0.0000 0.0000 51907.0644 -109557.9511 298.3106 -161465.0155 -109201.9039 299.2804 -94.2398 -61.7780 760059.7177 6.2842 6.3206 PRESSURE: 764800 -418.681 -96.922 -60.7931 -96.9219 -167.74 5.26027 -60.7927 5.25984 103.484 GPRESSURE: 764800 -361.882 13.1069 -97.6944 -31.1596 -76.6943 0.846275 -214.228 -72.1167 46.649 PRESSAVG: 764800 25.9948 -118.95 -24.9385 -118.95 -12.6387 -11.8581 -24.9386 -11.8581 -3.43926 GPRESSAVG: 764800 24.5488 -119.907 -24.106 -118.55 -12.0266 -11.4306 -25.2058 -10.2678 -2.32065 TIMING: 764800 CPU: 2478.53, 0.0031327/step Wall: 2478.53, 0.0031327/step, 3.68544 hours remaining, 232.097656 MB of memory in use. ENERGY: 764800 3995.1666 20507.9992 14442.7456 231.2968 -203179.9795 2211.2892 0.0000 0.0000 52028.2210 -109763.2610 299.0069 -161791.4820 -109409.2647 298.9710 -160.9789 -130.6425 759554.4976 3.3056 3.4005 PRESSURE: 765000 -293.313 -96.629 10.2384 -96.629 -367.72 -194.952 10.2387 -194.952 -136.427 GPRESSURE: 765000 -208.646 -50.4885 15.7805 -131.584 -411.091 -142.529 3.41062 -143.959 -95.7583 PRESSAVG: 765000 37.5256 -73.5557 -52.4312 -73.5557 -38.0063 17.2335 -52.4312 17.2336 -23.5748 GPRESSAVG: 765000 38.1262 -75.0764 -52.9648 -74.122 -38.1568 17.1458 -52.8135 13.7845 -23.5139 TIMING: 765000 CPU: 2479.16, 0.00314237/step Wall: 2479.16, 0.00314237/step, 3.69665 hours remaining, 232.097656 MB of memory in use. ENERGY: 765000 4047.2800 20547.0404 14483.1020 270.6836 -203393.1055 2297.5477 0.0000 0.0000 51895.2883 -109852.1634 298.2429 -161747.4517 -109492.4353 298.8300 -265.8203 -238.4987 759727.2654 -8.0185 -7.8482 PRESSURE: 765200 -169.646 -74.1336 -157.899 -74.134 -225.946 -181.165 -157.9 -181.165 -154.797 GPRESSURE: 765200 -138.401 -70.8548 -219.175 -58.1411 -289.062 -177.44 -80.875 -110.152 -34.2524 PRESSAVG: 765200 75.947 -70.8722 -8.48748 -70.8722 -101.741 -14.7342 -8.48745 -14.7342 -0.397621 GPRESSAVG: 765200 76.2062 -70.933 -9.50139 -71.4288 -100.947 -14.8493 -5.58436 -14.4269 -1.17145 TIMING: 765200 CPU: 2479.79, 0.00315192/step Wall: 2479.79, 0.00315192/step, 3.70771 hours remaining, 232.097656 MB of memory in use. ENERGY: 765200 3921.2773 20602.0728 14393.2532 234.7685 -203155.9446 2331.5034 0.0000 0.0000 52114.9670 -109558.1023 299.5054 -161673.0693 -109194.7431 298.7742 -183.4628 -153.9049 760621.7709 -8.7304 -8.6376 PRESSURE: 765400 337.087 -179.012 165.961 -179.013 -135.438 32.4551 165.961 32.4548 -142.515 GPRESSURE: 765400 289.624 -173.132 213.214 -167.832 -41.7044 -38.5434 257.717 92.7092 -116.224 PRESSAVG: 765400 27.6457 -111.212 17.7491 -111.212 -25.5792 -21.3624 17.7491 -21.3624 21.2346 GPRESSAVG: 765400 28.2228 -109.604 18.6003 -111.085 -26.6319 -21.5591 15.5324 -19.917 22.2524 TIMING: 765400 CPU: 2480.42, 0.00315596/step Wall: 2480.42, 0.00315596/step, 3.71229 hours remaining, 232.097656 MB of memory in use. ENERGY: 765400 3979.0352 20398.5320 14486.4222 258.0623 -202939.5645 2320.6565 0.0000 0.0000 51911.5455 -109585.3107 298.3364 -161496.8563 -109217.7405 298.8148 19.7110 43.8987 760120.1412 7.7670 7.9477 PRESSURE: 765600 -352.492 -193.037 -116.492 -193.037 151.175 51.01 -116.492 51.0094 -7.309 GPRESSURE: 765600 -283.325 -206.464 -103.763 -274.633 192.132 1.88872 -139.019 62.2865 -26.2544 PRESSAVG: 765600 -9.35216 -96.7656 36.2076 -96.7656 -22.3195 20.2889 36.2075 20.2888 1.3693 GPRESSAVG: 765600 -10.9019 -95.5462 37.6528 -97.5256 -21.2904 19.2177 36.991 20.015 1.36864 TIMING: 765600 CPU: 2481.05, 0.00317061/step Wall: 2481.05, 0.00317061/step, 3.72934 hours remaining, 232.097656 MB of memory in use. ENERGY: 765600 4005.2367 20473.7361 14462.3305 250.0719 -203188.5307 2335.3520 0.0000 0.0000 51842.8464 -109818.9570 297.9416 -161661.8034 -109478.2063 298.4807 -69.5419 -39.1491 760492.5960 -10.1008 -10.2746 PRESSURE: 765800 -63.9358 15.3012 203.536 15.3009 -254.212 -236.757 203.536 -236.758 246.252 GPRESSURE: 765800 -5.44527 12.9881 84.1952 -45.4632 -138.052 -269.808 147.246 -221.704 163.086 PRESSAVG: 765800 10.8365 -32.5086 6.63771 -32.5086 -4.44666 -20.401 6.63772 -20.4009 12.7363 GPRESSAVG: 765800 11.6619 -33.4775 6.16305 -31.7582 -3.60807 -19.1724 6.19715 -22.8902 11.2378 TIMING: 765800 CPU: 2481.68, 0.00316614/step Wall: 2481.68, 0.00316614/step, 3.72391 hours remaining, 232.097656 MB of memory in use. ENERGY: 765800 3975.9182 20372.6848 14419.0576 245.4984 -203342.4186 2419.6928 0.0000 0.0000 52512.3139 -109397.2528 301.7890 -161909.5668 -109022.6324 298.8511 -23.9651 6.5295 760748.5336 6.3754 6.4306 PRESSURE: 766000 -312.599 -154.611 193.79 -154.611 1.7655 -109.732 193.79 -109.732 -414.168 GPRESSURE: 766000 -280.365 -171.809 272.537 -54.9836 37.5095 -99.4222 173.11 -100.6 -362.439 PRESSAVG: 766000 71.9117 -129.7 32.4697 -129.7 -53.1127 -24.5209 32.4697 -24.5209 -7.55801 GPRESSAVG: 766000 72.7587 -129.292 32.4722 -129.35 -54.9874 -24.8562 33.5984 -20.0168 -6.18028 TIMING: 766000 CPU: 2482.32, 0.00317233/step Wall: 2482.32, 0.00317233/step, 3.73101 hours remaining, 232.097656 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: 766000 4029.6053 20442.2566 14574.3736 254.3526 -203084.8044 2181.4232 0.0000 0.0000 52261.5842 -109341.2090 300.3480 -161602.7932 -108976.2767 299.8962 -241.6672 -201.7649 760586.5234 3.7470 3.8637 PRESSURE: 766200 69.9265 -142.875 -160.344 -142.874 203.303 87.8314 -160.344 87.8315 -91.1427 GPRESSURE: 766200 53.9463 -239.262 -177.869 -139.096 262.134 70.4628 -113.973 77.0964 -52.0465 PRESSAVG: 766200 15.9457 -77.5901 27.6933 -77.5901 -2.57506 -21.464 27.6933 -21.464 -17.8783 GPRESSAVG: 766200 14.9847 -77.8027 26.4111 -77.1182 -2.44717 -22.8684 26.7111 -24.612 -17.7637 TIMING: 766200 CPU: 2482.95, 0.00315213/step Wall: 2482.95, 0.00315213/step, 3.70708 hours remaining, 232.097656 MB of memory in use. ENERGY: 766200 3974.8924 20534.1056 14514.1738 242.8615 -203501.9729 2607.7598 0.0000 0.0000 52383.3843 -109244.7955 301.0480 -161628.1797 -108874.2511 299.9764 60.6957 88.0114 760602.2932 -1.5026 -1.7421 PRESSURE: 766400 -222.166 -182.581 -40.0521 -182.581 109.038 -22.8511 -40.0519 -22.852 -213.239 GPRESSURE: 766400 -32.5872 -172.09 -60.3088 -112.282 67.9088 -76.8588 -79.1038 -90.0715 -264.877 PRESSAVG: 766400 13.5149 -99.0704 14.1453 -99.0704 -16.1166 -35.2326 14.1454 -35.2326 17.7513 GPRESSAVG: 766400 14.707 -97.9652 12.4677 -100.413 -15.9289 -35.2007 14.76 -34.0751 16.7121 TIMING: 766400 CPU: 2483.58, 0.00316427/step Wall: 2483.58, 0.00316427/step, 3.72118 hours remaining, 232.097656 MB of memory in use. ENERGY: 766400 4106.4086 20728.3063 14421.9525 225.9809 -203600.5811 2778.4987 0.0000 0.0000 52020.9298 -109318.5043 298.9650 -161339.4341 -108956.0405 299.8532 -108.7890 -76.5184 760740.7377 5.0498 5.1634 PRESSURE: 766600 105.449 117.302 163.842 117.301 105.705 39.8947 163.842 39.8939 149.512 GPRESSURE: 766600 85.8465 112.455 244.538 113.487 161.639 18.8178 17.1672 118.474 184.575 PRESSAVG: 766600 15.4626 -32.4509 -17.1684 -32.451 -7.09475 26.1912 -17.1684 26.1912 -23.9606 GPRESSAVG: 766600 14.6914 -33.5783 -14.2046 -32.6198 -6.48118 27.2572 -17.7171 24.5524 -23.8191 TIMING: 766600 CPU: 2484.21, 0.00313672/step Wall: 2484.21, 0.00313672/step, 3.68861 hours remaining, 232.097656 MB of memory in use. ENERGY: 766600 4012.0826 20474.5335 14491.1846 255.8198 -203328.4701 2532.9409 0.0000 0.0000 52147.0212 -109414.8875 299.6896 -161561.9087 -109040.9634 299.9678 120.2220 144.0200 759633.2996 -5.1976 -5.2030 PRESSURE: 766800 115.03 -234.036 183.201 -234.036 57.6724 -293.172 183.202 -293.172 -162.609 GPRESSURE: 766800 118.438 -187.48 234.784 -210.789 104.542 -310.489 172.276 -241.821 -137.76 PRESSAVG: 766800 -46.3499 -65.5586 57.2282 -65.5587 3.3403 -7.78295 57.2282 -7.78294 28.1526 GPRESSAVG: 766800 -48.248 -64.3707 57.6081 -63.702 3.24887 -8.79772 57.0017 -5.8364 29.6953 TIMING: 766800 CPU: 2484.84, 0.0031375/step Wall: 2484.84, 0.0031375/step, 3.68936 hours remaining, 232.097656 MB of memory in use. ENERGY: 766800 3958.0961 20483.0231 14377.6634 244.3075 -202679.8631 2276.8678 0.0000 0.0000 51971.9819 -109367.9233 298.6837 -161339.9052 -109014.3599 300.1718 3.3644 28.4068 761533.8402 -4.9524 -5.1013 PRESSURE: 767000 -132.667 7.59397 -97.1008 7.59478 -339.007 48.2596 -97.1008 48.2595 -259.409 GPRESSURE: 767000 -85.0842 27.5666 -62.6393 -57.8158 -329.396 77.5586 -185.932 103.432 -227.26 PRESSAVG: 767000 -36.6922 -42.7066 11.7346 -42.7067 30.3168 -13.368 11.7346 -13.3679 24.0625 GPRESSAVG: 767000 -35.1269 -43.2317 9.97353 -44.1511 29.6534 -12.2206 13.8432 -14.5538 23.7729 TIMING: 767000 CPU: 2485.47, 0.0031584/step Wall: 2485.47, 0.0031584/step, 3.71376 hours remaining, 232.097656 MB of memory in use. ENERGY: 767000 3988.4639 20324.2690 14358.3870 218.8855 -203015.5177 2416.0059 0.0000 0.0000 52170.6350 -109538.8715 299.8254 -161709.5065 -109157.5868 299.4878 -243.6945 -213.9135 761753.8217 5.8957 6.0998 PRESSURE: 767200 -82.0383 175.653 76.4705 175.653 -75.4017 38.6856 76.4696 38.6857 -297.183 GPRESSURE: 767200 -9.23226 140.076 71.7374 251.623 -87.9119 12.9432 -23.9558 28.8559 -283.031 PRESSAVG: 767200 -37.8338 -37.6765 41.4061 -37.6765 61.8655 8.35823 41.4061 8.35822 -5.48326 GPRESSAVG: 767200 -37.9275 -39.3626 43.3292 -36.4881 62.2438 8.70509 38.5551 8.17265 -5.74387 TIMING: 767200 CPU: 2486.1, 0.00313461/step Wall: 2486.1, 0.00313461/step, 3.68561 hours remaining, 232.097656 MB of memory in use. ENERGY: 767200 3956.7693 20547.6661 14400.7114 244.3656 -203063.4555 2344.8941 0.0000 0.0000 52161.3555 -109407.6935 299.7720 -161569.0490 -109048.2665 298.9641 -151.5410 -126.7252 761194.8563 6.1828 6.1908 PRESSURE: 767400 -174.561 27.3739 -3.40991 27.3729 102.994 170.859 -3.41007 170.859 -63.4755 GPRESSURE: 767400 -157.963 -34.7285 7.81551 52.6597 124.065 232.737 -33.2964 22.614 -25.0937 PRESSAVG: 767400 -10.5263 -60.4773 -40.435 -60.4773 27.0114 32.5839 -40.435 32.5839 7.55736 GPRESSAVG: 767400 -10.8849 -59.1305 -41.3709 -61.94 27.2278 32.1765 -37.3944 33.8286 7.39022 TIMING: 767400 CPU: 2486.72, 0.0031361/step Wall: 2486.72, 0.0031361/step, 3.68718 hours remaining, 232.097656 MB of memory in use. ENERGY: 767400 3972.3454 20480.1885 14452.6569 237.9531 -203462.7926 2614.3686 0.0000 0.0000 51973.7147 -109731.5654 298.6937 -161705.2801 -109373.1855 298.5652 -45.0144 -19.6640 760021.1839 8.0142 7.9110 PRESSURE: 767600 -316.907 107.8 80.6182 107.801 -370.877 288.312 80.6178 288.312 -164.281 GPRESSURE: 767600 -306.767 30.634 116.243 44.9051 -361.958 235.802 -6.19219 230.682 -87.4387 PRESSAVG: 767600 -19.3206 -29.4876 41.4044 -29.4876 14.1304 -8.33452 41.4044 -8.33454 3.79992 GPRESSAVG: 767600 -20.2426 -29.0771 41.4405 -27.9579 14.6311 -8.99972 38.7397 -8.47431 4.39208 TIMING: 767600 CPU: 2487.36, 0.00318114/step Wall: 2487.36, 0.00318114/step, 3.73996 hours remaining, 232.097656 MB of memory in use. ENERGY: 767600 4040.1328 20493.7621 14455.0906 243.8405 -203090.6764 2337.1670 0.0000 0.0000 51937.4764 -109583.2069 298.4854 -161520.6834 -109229.4962 298.5022 -284.0219 -252.0545 761208.0735 -0.4634 -0.4065 PRESSURE: 767800 -266.605 28.5951 245.855 28.5957 362.251 105.946 245.854 105.945 -69.4948 GPRESSURE: 767800 -181.572 23.3425 172.554 12.4533 344.92 110.067 171.421 185.606 -49.9541 PRESSAVG: 767800 -4.77582 -5.31488 7.30865 -5.31492 19.2601 51.0262 7.30863 51.0262 -8.10177 GPRESSAVG: 767800 -2.90968 -6.89133 6.17067 -4.09575 18.6901 51.5968 6.96941 51.2362 -8.85919 TIMING: 767800 CPU: 2487.99, 0.0031527/step Wall: 2487.99, 0.0031527/step, 3.70635 hours remaining, 232.097656 MB of memory in use. ENERGY: 767800 4024.0867 20308.8363 14496.4015 232.6220 -203168.9321 2508.8629 0.0000 0.0000 51971.3225 -109626.8002 298.6799 -161598.1227 -109258.7166 298.4281 8.7173 37.7982 760643.9942 2.1275 2.3071 PRESSURE: 768000 -403.731 -253.601 226.762 -253.601 -120.868 -304.778 226.762 -304.777 -168.729 GPRESSURE: 768000 -317.614 -259.389 228.755 -261.892 -125.664 -233.345 146.579 -289.099 -172.432 PRESSAVG: 768000 -18.5389 -47.443 46.1796 -47.4431 4.21197 -4.31392 46.1796 -4.31391 32.4224 GPRESSAVG: 768000 -18.376 -47.025 46.9731 -48.9563 4.78226 -5.6805 48.4465 -2.00906 32.1048 TIMING: 768000 CPU: 2488.62, 0.00314076/step Wall: 2488.62, 0.00314076/step, 3.69214 hours remaining, 232.097656 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: 768000 3929.8266 20538.1792 14474.2646 262.7601 -203133.2928 2293.6197 0.0000 0.0000 52162.5065 -109472.1361 299.7786 -161634.6425 -109117.6530 298.8758 -231.1095 -205.2366 761381.4417 6.0318 6.1704 PRESSURE: 768200 -96.8084 -255.09 -68.3403 -255.09 68.946 -158.751 -68.339 -158.751 -66.6006 GPRESSURE: 768200 28.084 -263.862 -72.966 -253.927 26.3056 -181.63 -60.8925 -129.687 -78.6812 PRESSAVG: 768200 8.96591 -30.355 17.8383 -30.355 52.1823 -4.92425 17.8382 -4.92436 -4.34147 GPRESSAVG: 768200 8.96243 -28.0983 17.0788 -31.1337 51.7962 -3.2167 15.8519 -8.21491 -3.85205 TIMING: 768200 CPU: 2489.25, 0.00317687/step Wall: 2489.25, 0.00317687/step, 3.73441 hours remaining, 232.097656 MB of memory in use. ENERGY: 768200 4011.3208 20575.1824 14412.3556 258.0685 -203365.2583 2446.8542 0.0000 0.0000 51951.0207 -109710.4562 298.5632 -161661.4768 -109343.4779 298.8795 -31.4876 -8.0972 760890.7307 18.9356 18.9688 LDB: ============= START OF LOAD BALANCING ============== 2501.68 LDB: ============== END OF LOAD BALANCING =============== 2501.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2501.68 LDB: ============= START OF LOAD BALANCING ============== 2501.99 LDB: Largest compute 7044 load 0.035198 is 18.0% of average load 0.195055 LDB: Average compute 0.004383 is 2.2% of average load 0.195055 LDB: TIME 2501.99 LOAD: AVG 0.195055 MAX 0.21347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.098 MB LDB: TIME 2501.99 LOAD: AVG 0.195055 MAX 0.21347 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.301 MB LDB: TIME 2501.99 LOAD: AVG 0.195055 MAX 0.21347 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.301 MB LDB: ============== END OF LOAD BALANCING =============== 2502 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 PRESSURE: 768400 67.6035 96.0677 -114.047 96.0667 112.741 42.096 -114.046 42.0957 107.631 GPRESSURE: 768400 69.6652 128.816 -66.045 107.83 272.348 138.551 -82.6136 153.083 52.9527 PRESSAVG: 768400 -2.58123 -59.1131 -28.1667 -59.113 -24.2995 45.4704 -28.1668 45.4704 -15.2421 GPRESSAVG: 768400 -3.94221 -60.1084 -27.4253 -57.8884 -21.8777 42.5867 -26.9493 48.4115 -15.8413 TIMING: 768400 CPU: 2489.9, 0.00321206/step Wall: 2489.9, 0.00321206/step, 3.7756 hours remaining, 230.414062 MB of memory in use. ENERGY: 768400 3954.0528 20379.9151 14431.9982 250.4404 -203803.6535 2727.4637 0.0000 0.0000 52158.7222 -109901.0611 299.7569 -162059.7832 -109526.8728 298.3392 95.9918 131.6552 758804.9273 -14.0410 -13.8871 PRESSURE: 768600 216.475 -198.775 -27.7812 -198.774 -60.9741 118.918 -27.7819 118.918 344.613 GPRESSURE: 768600 129.227 -148.791 -37.3267 -198.124 87.7777 45.3914 -26.9749 104.608 396.924 PRESSAVG: 768600 -8.31032 -33.4704 5.16802 -33.4704 58.3834 23.8758 5.16801 23.8757 -3.08865 GPRESSAVG: 768600 -8.38812 -33.3955 5.96186 -34.1075 57.5067 25.9165 2.97687 21.901 -2.75042 TIMING: 768600 CPU: 2490.52, 0.00314621/step Wall: 2490.52, 0.00314621/step, 3.69802 hours remaining, 230.414062 MB of memory in use. ENERGY: 768600 3957.6749 20436.8374 14450.6017 255.7819 -203977.8580 2984.5050 0.0000 0.0000 52036.6706 -109855.7865 299.0555 -161892.4571 -109496.3358 298.7627 166.7047 204.6432 758602.6322 15.6615 15.4561 PRESSURE: 768800 11.3511 65.4107 25.8815 65.4111 -83.243 349.455 25.8814 349.455 -59.3618 GPRESSURE: 768800 34.3237 -8.79215 -0.780236 31.7772 -32.2844 328.741 -29.8729 235.769 -56.9867 PRESSAVG: 768800 -3.66717 -73.8545 10.8833 -73.8545 40.7567 -3.74844 10.8833 -3.74852 -5.38097 GPRESSAVG: 768800 -3.26244 -74.2943 9.77638 -75.2136 40.2236 -4.06454 11.9607 -4.6166 -4.76303 TIMING: 768800 CPU: 2491.16, 0.0031554/step Wall: 2491.16, 0.0031554/step, 3.70865 hours remaining, 230.671875 MB of memory in use. ENERGY: 768800 4041.6069 20445.7610 14383.0182 255.2028 -203558.5342 2512.3697 0.0000 0.0000 52067.0701 -109853.5056 299.2302 -161920.5757 -109489.0285 298.5312 -43.7512 -18.3158 759890.5281 10.5695 10.7327 PRESSURE: 769000 -40.3531 -26.2344 300.496 -26.234 94.0082 -33.6778 300.496 -33.6783 -236.775 GPRESSURE: 769000 -160.353 9.12533 264.406 -65.316 169.955 -13.2973 217.293 114.139 -110.929 PRESSAVG: 769000 3.99055 -33.9951 4.43314 -33.9951 4.57371 7.72889 4.4332 7.72888 15.8378 GPRESSAVG: 769000 3.45575 -33.7555 4.71048 -33.0157 5.01471 8.46413 5.23068 8.75459 15.7502 TIMING: 769000 CPU: 2491.79, 0.00315638/step Wall: 2491.79, 0.00315638/step, 3.70962 hours remaining, 230.671875 MB of memory in use. ENERGY: 769000 3950.6976 20385.8866 14475.3085 239.5278 -203189.4868 2276.0103 0.0000 0.0000 52000.2438 -109861.8122 298.8461 -161862.0560 -109490.8970 298.3718 -61.0398 -33.7757 759682.6438 8.1340 8.0736 PRESSURE: 769200 -164.226 -240.276 -61.4582 -240.276 -246.386 21.5631 -61.4582 21.5628 -211.004 GPRESSURE: 769200 -76.525 -141.343 -28.9374 -162.002 -228.428 -83.9398 -3.03779 -4.04924 -229.626 PRESSAVG: 769200 -12.5481 -90.8157 -26.0172 -90.8157 2.5511 -37.2857 -26.0172 -37.2858 1.69625 GPRESSAVG: 769200 -12.202 -91.2667 -25.4782 -90.3628 1.62392 -38.0771 -24.1487 -40.0859 1.84473 TIMING: 769200 CPU: 2492.42, 0.00316944/step Wall: 2492.42, 0.00316944/step, 3.72479 hours remaining, 230.871094 MB of memory in use. ENERGY: 769200 4023.9284 20520.6171 14495.9801 252.0267 -203524.1396 2577.2721 0.0000 0.0000 51949.7889 -109704.5264 298.5562 -161654.3154 -109344.3125 298.7219 -207.2057 -178.1930 758874.4680 -2.7669 -2.9111 PRESSURE: 769400 328.305 -195.94 9.34907 -195.941 306.296 -72.2933 9.349 -72.2938 22.4244 GPRESSURE: 769400 355.762 -293.287 18.8062 -221.153 317.069 -56.5561 -13.8556 -5.9928 65.9528 PRESSAVG: 769400 10.7135 -94.6598 -32.898 -94.6599 -5.99344 -19.2502 -32.8981 -19.2503 -0.998902 GPRESSAVG: 769400 11.0919 -96.1287 -34.7316 -94.1529 -5.99325 -19.5902 -33.7484 -17.577 -1.60916 TIMING: 769400 CPU: 2493.05, 0.00315235/step Wall: 2493.05, 0.00315235/step, 3.70454 hours remaining, 230.871094 MB of memory in use. ENERGY: 769400 3915.8118 20542.8809 14420.4460 234.0889 -203242.5347 2367.1341 0.0000 0.0000 52373.1164 -109389.0566 300.9890 -161762.1730 -109019.3928 299.6294 219.0086 246.2612 759178.4322 1.2404 1.1632 PRESSURE: 769600 -83.2355 161.534 31.6138 161.534 -10.5906 -60.3934 31.6148 -60.3925 -322.374 GPRESSURE: 769600 -115.884 174 91.3146 72.1306 74.6229 11.8512 -10.5565 -15.0096 -294.003 PRESSAVG: 769600 -16.3551 -17.668 29.3388 -17.6681 12.7075 -82.0163 29.3389 -82.0164 11.3089 GPRESSAVG: 769600 -16.5882 -16.5473 30.3439 -18.2006 12.65 -82.5093 29.4711 -80.712 11.3823 TIMING: 769600 CPU: 2493.69, 0.00316777/step Wall: 2493.69, 0.00316777/step, 3.72248 hours remaining, 230.871094 MB of memory in use. ENERGY: 769600 4038.0777 20528.6882 14372.2399 244.5542 -202938.1392 2313.3066 0.0000 0.0000 51968.1391 -109473.1335 298.6616 -161441.2725 -109117.6037 299.5064 -138.7334 -111.7547 760147.7525 2.5538 2.4814 PRESSURE: 769800 72.0946 -163.903 49.1056 -163.903 -246.301 -196.312 49.1052 -196.313 -413.836 GPRESSURE: 769800 26.7486 -153.826 63.4357 -55.9352 -214.788 -172.461 88.677 -124.427 -327.022 PRESSAVG: 769800 17.6941 -38.7033 19.1258 -38.7034 -3.80134 24.3789 19.1258 24.379 3.24055 GPRESSAVG: 769800 18.7079 -39.884 17.6668 -37.5059 -4.90173 24.9892 17.8307 22.3993 2.98197 TIMING: 769800 CPU: 2494.32, 0.00315207/step Wall: 2494.32, 0.00315207/step, 3.70385 hours remaining, 230.871094 MB of memory in use. ENERGY: 769800 4068.5604 20583.0933 14448.9937 260.5420 -203507.4045 2591.1516 0.0000 0.0000 51922.7945 -109632.2689 298.4010 -161555.0635 -109280.8734 298.7729 -196.0141 -171.6868 760323.9637 5.7111 5.5961 PRESSURE: 770000 -8.85287 -0.117443 205.965 -0.117037 -41.1056 -188.945 205.965 -188.945 341.319 GPRESSURE: 770000 -35.8085 15.2884 226.511 3.69486 81.8552 -109.878 99.8581 -81.3353 327.026 PRESSAVG: 770000 -20.8613 -51.7166 -32.5769 -51.7165 7.34288 -12.5314 -32.5769 -12.5314 -7.11649 GPRESSAVG: 770000 -22.1226 -52.7746 -32.4451 -51.5793 9.29388 -12.6774 -32.0419 -9.57434 -7.46764 TIMING: 770000 CPU: 2494.94, 0.00314369/step Wall: 2494.94, 0.00314369/step, 3.69383 hours remaining, 230.925781 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: 770000 4082.2920 20344.5475 14462.4876 224.8237 -203430.4378 2793.2793 0.0000 0.0000 51905.0829 -109617.9247 298.2992 -161523.0076 -109253.3204 298.7049 97.1203 124.3575 762426.2228 -6.8783 -6.7654 PRESSURE: 770200 -183.367 48.0771 -44.7857 48.078 433.106 -172.12 -44.7863 -172.12 -132.708 GPRESSURE: 770200 -119.732 69.6765 -129.583 2.42059 404.379 -180.491 29.9014 -191.056 -89.0945 PRESSAVG: 770200 -46.7749 -36.4178 7.9707 -36.4178 10.8183 -32.3621 7.97083 -32.3621 8.18272 GPRESSAVG: 770200 -45.6463 -35.2332 8.35325 -37.6297 9.67314 -31.8487 9.23102 -32.8512 7.91975 TIMING: 770200 CPU: 2495.58, 0.00320304/step Wall: 2495.58, 0.00320304/step, 3.7634 hours remaining, 230.941406 MB of memory in use. ENERGY: 770200 4022.0697 20594.2085 14495.3667 253.9223 -203094.4365 2579.6959 0.0000 0.0000 51666.2910 -109482.8825 296.9269 -161149.1736 -109121.0468 298.5596 39.0105 65.1841 761898.6774 -9.2579 -9.3512 PRESSURE: 770400 -168.857 22.9339 33.7806 22.9345 99.89 -156.615 33.7806 -156.615 -68.2982 GPRESSURE: 770400 -194.432 -17.5447 2.79788 52.3885 211.915 -136.754 162.763 -290.072 -74.6289 PRESSAVG: 770400 -44.1453 -57.8607 15.7616 -57.8607 39.0138 -20.7628 15.7617 -20.7628 30.0372 GPRESSAVG: 770400 -45.1238 -58.2915 15.7421 -57.124 39.5108 -20.8028 13.3414 -23.7291 30.466 TIMING: 770400 CPU: 2496.22, 0.0031697/step Wall: 2496.22, 0.0031697/step, 3.72404 hours remaining, 230.941406 MB of memory in use. ENERGY: 770400 3927.0240 20441.2133 14516.4671 221.7133 -203314.0684 2498.2407 0.0000 0.0000 52203.4155 -109505.9946 300.0137 -161709.4101 -109145.4351 299.3450 -45.7552 -19.0484 762346.4874 8.3019 8.2843 PRESSURE: 770600 -136.702 189.216 18.5809 189.217 -151.807 -38.2253 18.5814 -38.224 -212.547 GPRESSURE: 770600 -85.927 21.628 41.2919 73.5345 -138.431 -37.9712 73.4384 -71.746 -200.465 PRESSAVG: 770600 -2.60481 5.7915 -51.1519 5.79149 2.4025 -12.3118 -51.1519 -12.3118 3.1042 GPRESSAVG: 770600 -2.98207 7.42643 -51.5812 3.76971 2.72382 -12.1959 -50.5997 -11.2029 2.82746 TIMING: 770600 CPU: 2496.85, 0.00318027/step Wall: 2496.85, 0.00318027/step, 3.73629 hours remaining, 230.941406 MB of memory in use. ENERGY: 770600 4023.4591 20481.8661 14465.3177 261.0887 -203020.7354 2252.8440 0.0000 0.0000 52016.3922 -109519.7675 298.9389 -161536.1597 -109154.9727 299.2695 -167.0186 -141.6076 760898.0311 0.9673 0.8564 PRESSURE: 770800 279.666 104.078 62.0815 104.077 -183.234 194.282 62.0809 194.281 114.442 GPRESSURE: 770800 279.151 100.413 -3.48839 166.542 -45.3065 186.183 32.1262 230.729 69.3343 PRESSAVG: 770800 0.78283 -3.56126 10.5999 -3.56128 -34.8906 -12.049 10.5999 -12.049 14.5819 GPRESSAVG: 770800 1.46963 -5.09675 11.7599 -1.10715 -35.6836 -11.3463 10.3008 -10.2668 14.7324 TIMING: 770800 CPU: 2497.49, 0.00315249/step Wall: 2497.49, 0.00315249/step, 3.70347 hours remaining, 230.941406 MB of memory in use. ENERGY: 770800 3979.0496 20517.6313 14408.3653 240.5893 -202927.9090 2450.4099 0.0000 0.0000 52068.2082 -109263.6555 299.2367 -161331.8637 -108914.4733 299.4998 70.2915 101.0595 759376.7002 -6.5086 -6.4938 PRESSURE: 771000 -5.80656 57.125 -86.5391 57.1251 45.5374 82.7325 -86.5391 82.7321 -182.514 GPRESSURE: 771000 -60.6756 7.48285 -62.3043 18.6409 121.637 112.852 -39.2586 142.25 -128.575 PRESSAVG: 771000 2.66061 -48.5721 -28.8753 -48.5721 34.877 13.5859 -28.8752 13.586 12.7047 GPRESSAVG: 771000 2.72381 -47.4839 -29.7235 -48.8876 34.7616 13.1052 -28.0122 11.9914 13.053 TIMING: 771000 CPU: 2498.12, 0.00316479/step Wall: 2498.12, 0.00316479/step, 3.71775 hours remaining, 230.941406 MB of memory in use. ENERGY: 771000 3979.3655 20625.7323 14451.7319 247.0274 -202996.1748 2347.5676 0.0000 0.0000 52051.5547 -109293.1953 299.1410 -161344.7501 -108928.9125 299.8529 -47.5945 -22.5380 761085.0324 16.7474 16.8462 PRESSURE: 771200 17.0897 -44.9088 107.656 -44.9082 -208.543 -39.8838 107.656 -39.8836 34.2194 GPRESSURE: 771200 86.0816 39.7134 135.306 -19.9555 -132.314 -141.45 159.124 17.6727 -30.6498 PRESSAVG: 771200 -9.01508 -41.8667 -6.53609 -41.8667 -9.11115 -15.6236 -6.53599 -15.6236 -1.4695 GPRESSAVG: 771200 -8.74723 -41.4649 -4.50464 -42.6671 -8.63716 -15.3535 -7.03292 -13.9167 -2.38843 TIMING: 771200 CPU: 2498.75, 0.00313994/step Wall: 2498.75, 0.00313994/step, 3.68839 hours remaining, 230.941406 MB of memory in use. ENERGY: 771200 4064.0597 20615.5065 14523.0907 257.7347 -202882.7766 2371.1302 0.0000 0.0000 51899.7720 -109151.4827 298.2687 -161051.2547 -108789.2457 299.2847 -52.4113 -25.6276 760015.5122 -6.5319 -6.5909 PRESSURE: 771400 -529.683 -167.309 -138.362 -167.308 -103.301 131.676 -138.362 131.675 170.177 GPRESSURE: 771400 -437.052 -139.294 -211.098 -275.26 -95.4826 154.894 -162.056 165.033 179.51 PRESSAVG: 771400 27.0309 -51.2405 -15.3821 -51.2406 4.5221 -20.0179 -15.3821 -20.0179 15.8676 GPRESSAVG: 771400 26.5595 -50.0619 -18.157 -52.5373 5.12493 -19.1428 -15.6269 -21.7659 16.4912 TIMING: 771400 CPU: 2499.38, 0.0031601/step Wall: 2499.38, 0.0031601/step, 3.71189 hours remaining, 230.941406 MB of memory in use. ENERGY: 771400 4050.1486 20520.0798 14567.6352 251.2089 -203057.6325 2216.8777 0.0000 0.0000 51875.9963 -109575.6859 298.1321 -161451.6822 -109226.2758 299.0093 -154.2692 -117.6748 760712.4387 15.8069 16.0585 PRESSURE: 771600 -30.7294 73.1846 15.453 73.1844 215.642 32.2919 15.4533 32.2927 -170.963 GPRESSURE: 771600 11.9241 16.1372 64.6941 36.9379 223.047 25.8356 21.2217 -15.6669 -120.936 PRESSAVG: 771600 31.2546 12.332 0.327815 12.332 -33.844 26.3386 0.327773 26.3387 -8.12182 GPRESSAVG: 771600 31.9022 11.7509 1.25972 12.6868 -33.2621 27.0111 -1.81168 26.0187 -8.59669 TIMING: 771600 CPU: 2500.01, 0.00314337/step Wall: 2500.01, 0.00314337/step, 3.69207 hours remaining, 230.941406 MB of memory in use. ENERGY: 771600 3919.7005 20683.4194 14463.9881 247.4901 -203136.1860 2386.1314 0.0000 0.0000 51979.8780 -109455.5784 298.7291 -161435.4564 -109105.1379 298.6525 4.6499 38.0118 759920.6841 -3.5704 -3.3189 PRESSURE: 771800 -339.25 -82.8917 -14.2374 -82.8915 -170.818 -113.625 -14.2394 -113.625 -370.665 GPRESSURE: 771800 -333.943 -110.586 -8.1616 -102.262 -188.137 -12.3423 28.0921 -175.569 -274.513 PRESSAVG: 771800 50.3448 11.5885 23.8905 11.5886 -80.6889 52.5611 23.8905 52.5611 27.7153 GPRESSAVG: 771800 50.8886 10.6275 23.702 14.9609 -83.1375 50.8151 26.8392 53.0318 29.691 TIMING: 771800 CPU: 2500.64, 0.00318517/step Wall: 2500.64, 0.00318517/step, 3.74098 hours remaining, 230.941406 MB of memory in use. ENERGY: 771800 3937.3383 20491.2848 14496.0064 260.6713 -203237.1551 2496.3127 0.0000 0.0000 51946.6124 -109608.9292 298.5379 -161555.5417 -109252.8795 298.6621 -293.5780 -265.5306 762094.3886 -0.8763 -0.8526 PRESSURE: 772000 -12.8646 -189.561 -142.375 -189.56 -32.8033 -39.3229 -142.374 -39.3225 -96.1098 GPRESSURE: 772000 24.6668 -165.691 -125.559 -216.506 -33.1983 -51.6855 -127.584 -33.9942 -47.1818 PRESSAVG: 772000 62.8716 -32.168 -8.21095 -32.168 -47.1977 -14.6149 -8.21093 -14.6149 4.39936 GPRESSAVG: 772000 62.7811 -31.0302 -7.60661 -35.831 -46.313 -14.1103 -7.97208 -14.8606 3.864 TIMING: 772000 CPU: 2501.28, 0.00316474/step Wall: 2501.28, 0.00316474/step, 3.71681 hours remaining, 230.941406 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: 772000 3967.9374 20482.1901 14524.3308 273.9253 -203069.4655 2272.6874 0.0000 0.0000 51738.9586 -109809.4359 297.3445 -161548.3945 -109459.2039 298.6145 -47.2592 -18.5711 761303.9381 6.6911 6.7774 PRESSURE: 772200 1.17241 -52.8284 -172.745 -52.8291 182.607 -67.2548 -172.744 -67.2543 329.173 GPRESSURE: 772200 10.2385 -15.7534 -196.798 -102.031 312.513 -70.0287 -11.6662 -40.7946 298.777 PRESSAVG: 772200 14.6706 -43.8072 27.0474 -43.8072 19.5022 48.9822 27.0474 48.9823 -8.17932 GPRESSAVG: 772200 15.1663 -46.2906 28.7847 -41.3017 20.3217 48.5259 26.1891 48.9254 -9.45394 TIMING: 772200 CPU: 2501.91, 0.00315057/step Wall: 2501.91, 0.00315057/step, 3.69999 hours remaining, 230.941406 MB of memory in use. ENERGY: 772200 3929.0820 20425.4546 14440.3697 251.4823 -203436.6603 2619.8725 0.0000 0.0000 52243.8927 -109526.5065 300.2464 -161770.3992 -109162.1276 298.4792 170.9841 207.1762 761424.7261 8.6645 8.6780 LDB: ============= START OF LOAD BALANCING ============== 2514.33 LDB: ============== END OF LOAD BALANCING =============== 2514.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2514.33 LDB: ============= START OF LOAD BALANCING ============== 2514.65 LDB: Largest compute 7044 load 0.034760 is 17.8% of average load 0.195099 LDB: Average compute 0.004396 is 2.3% of average load 0.195099 LDB: TIME 2514.65 LOAD: AVG 0.195099 MAX 0.213476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.125 MB LDB: TIME 2514.65 LOAD: AVG 0.195099 MAX 0.213476 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: TIME 2514.65 LOAD: AVG 0.195099 MAX 0.213476 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: ============== END OF LOAD BALANCING =============== 2514.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2514.66 PRESSURE: 772400 -63.3967 -119.029 143.684 -119.028 32.1431 -102.202 143.685 -102.202 225.59 GPRESSURE: 772400 -58.6084 -114.963 111.763 -18.0842 117.338 -97.1157 117.949 30.2504 226.638 PRESSAVG: 772400 14.4796 -46.6459 -40.4471 -46.6459 13.1048 36.9134 -40.447 36.9133 30.7766 GPRESSAVG: 772400 14.8004 -45.993 -41.9418 -48.4913 13.3046 37.7796 -39.6975 36.9601 30.2978 TIMING: 772400 CPU: 2502.55, 0.00322097/step Wall: 2502.55, 0.00322097/step, 3.78249 hours remaining, 232.152344 MB of memory in use. ENERGY: 772400 4031.6703 20345.9297 14504.7605 244.8934 -203266.1615 2550.4009 0.0000 0.0000 52034.1151 -109554.3917 299.0408 -161588.5068 -109193.4012 299.1242 64.7789 95.1223 760068.7876 19.4536 19.4676 PRESSURE: 772600 -147.664 -1.04224 -29.1548 -1.04249 -58.5027 -184.876 -29.1544 -184.876 124.528 GPRESSURE: 772600 -121.19 33.7852 -30.3639 53.3733 6.03581 -152.391 -47.7358 -99.7147 107.295 PRESSAVG: 772600 10.6084 -25.4698 26.5383 -25.4698 -33.4477 -13.3109 26.5383 -13.3109 1.34703 GPRESSAVG: 772600 12.0264 -24.8373 25.5817 -24.1648 -34.9665 -12.8652 26.3993 -13.449 1.71777 TIMING: 772600 CPU: 2503.19, 0.00318004/step Wall: 2503.19, 0.00318004/step, 3.73425 hours remaining, 232.355469 MB of memory in use. ENERGY: 772600 3966.2598 20459.3262 14443.2274 238.9841 -203516.9088 2651.7464 0.0000 0.0000 52162.6922 -109594.6726 299.7797 -161757.3648 -109232.5750 299.2165 -27.2128 -2.6198 761442.0081 -7.1641 -7.0741 PRESSURE: 772800 152.448 19.7095 -137.419 19.7096 -267.341 -97.6943 -137.419 -97.6941 -88.6055 GPRESSURE: 772800 186.739 -9.52701 -101.262 -81.4424 -176.54 -108.465 -155.308 -158.916 -127.666 PRESSAVG: 772800 39.7416 -60.6897 31.2025 -60.6898 -52.619 36.6598 31.2025 36.6598 -2.30937 GPRESSAVG: 772800 37.0616 -61.0153 30.8253 -60.6288 -50.6474 34.5747 31.3437 36.7214 -1.45044 TIMING: 772800 CPU: 2503.82, 0.0031629/step Wall: 2503.82, 0.0031629/step, 3.71395 hours remaining, 232.355469 MB of memory in use. ENERGY: 772800 4059.2670 20350.7656 14487.3519 242.9065 -202946.2315 2404.1236 0.0000 0.0000 52044.8393 -109356.9778 299.1024 -161401.8171 -108985.1895 299.2232 -67.8329 -39.1557 763387.5829 -5.0623 -5.0121 PRESSURE: 773000 127.875 -184.169 -51.4228 -184.169 108.724 -188.289 -51.4228 -188.288 -287.344 GPRESSURE: 773000 172.11 -149.717 -44.7948 -105.008 98.4733 -162.481 -41.5772 -119.311 -231.738 PRESSAVG: 773000 15.7927 -61.8894 -39.9261 -61.8894 -18.3162 -26.2181 -39.9261 -26.2182 7.00569 GPRESSAVG: 773000 16.4875 -62.9075 -36.7787 -60.6657 -19.5949 -23.0638 -40.8527 -26.9351 6.88017 TIMING: 773000 CPU: 2504.45, 0.00315517/step Wall: 2504.45, 0.00315517/step, 3.70469 hours remaining, 232.355469 MB of memory in use. ENERGY: 773000 3941.1419 20641.8462 14515.5678 259.9172 -203452.6943 2713.1771 0.0000 0.0000 51882.2582 -109498.7858 298.1681 -161381.0441 -109145.7071 298.7475 -16.9150 12.9481 761567.3035 1.4941 1.2576 PRESSURE: 773200 -166.654 -38.1927 24.4779 -38.193 -76.8131 122.063 24.4779 122.064 -20.9108 GPRESSURE: 773200 -74.2813 -83.435 83.2613 20.1568 16.2397 156.21 13.6931 -41.0835 -107.1 PRESSAVG: 773200 -44.0595 -37.9366 -0.662309 -37.9366 41.1171 -12.768 -0.662328 -12.768 6.11127 GPRESSAVG: 773200 -42.361 -37.3795 -1.06452 -37.987 40.4394 -14.8468 -2.2141 -12.9856 4.60315 TIMING: 773200 CPU: 2505.09, 0.00317133/step Wall: 2505.09, 0.00317133/step, 3.72349 hours remaining, 232.355469 MB of memory in use. ENERGY: 773200 3981.3982 20615.2664 14467.6242 231.8994 -203487.4650 2531.5063 0.0000 0.0000 52078.6270 -109581.1435 299.2966 -161659.7706 -109212.9860 299.1365 -88.1260 -55.0473 761007.4524 1.0563 0.8938 PRESSURE: 773400 241.412 -104.951 -346.487 -104.951 59.1547 -91.4059 -346.487 -91.4064 217.073 GPRESSURE: 773400 338.361 31.3022 -273.68 40.0165 93.3102 -35.2002 -312.84 -82.632 185.194 PRESSAVG: 773400 42.303 -42.4931 36.0387 -42.4931 1.08526 25.1803 36.0388 25.1804 16.0421 GPRESSAVG: 773400 41.1895 -40.4326 35.1 -43.7222 2.54854 25.8576 37.019 26.7097 16.2379 TIMING: 773400 CPU: 2505.71, 0.00313/step Wall: 2505.71, 0.00313/step, 3.67479 hours remaining, 232.355469 MB of memory in use. ENERGY: 773400 3939.5256 20581.0038 14428.8830 243.8923 -203911.3050 2673.3371 0.0000 0.0000 52089.5297 -109955.1335 299.3592 -162044.6632 -109582.2070 298.5195 172.5467 205.6219 761736.0696 19.8101 19.9920 PRESSURE: 773600 226.306 -13.4909 42.0298 -13.491 15.4701 -232.543 42.0303 -232.543 441.254 GPRESSURE: 773600 206.99 -90.0036 -38.3542 25.4712 55.4259 -193.101 62.805 -119.847 502.052 PRESSAVG: 773600 36.4126 -12.5499 50.9323 -12.55 -11.9411 17.6017 50.9323 17.6018 -11.4824 GPRESSAVG: 773600 36.2008 -16.0908 50.5521 -12.3899 -12.5695 18.2405 50.5524 16.7856 -11.5641 TIMING: 773600 CPU: 2506.34, 0.00314434/step Wall: 2506.34, 0.00314434/step, 3.69145 hours remaining, 232.355469 MB of memory in use. ENERGY: 773600 3987.1518 20489.0971 14459.2512 211.5692 -203791.9547 2908.4691 0.0000 0.0000 51648.5435 -110087.8728 296.8249 -161736.4163 -109730.8622 298.1911 227.6767 254.8225 763023.4489 4.3297 4.0224 PRESSURE: 773800 58.3967 4.37855 16.7361 4.3785 -477.964 54.5319 16.7367 54.5327 -430.159 GPRESSURE: 773800 44.9287 80.0481 18.3746 -22.9459 -428.443 179.537 -54.8874 84.4539 -384.898 PRESSAVG: 773800 17.2099 -13.2676 3.04341 -13.2675 3.57666 59.8271 3.04351 59.8271 -8.73838 GPRESSAVG: 773800 17.6816 -9.06541 2.82859 -15.6168 4.0741 57.9861 2.8664 61.5045 -9.47297 TIMING: 773800 CPU: 2506.97, 0.003144/step Wall: 2506.97, 0.003144/step, 3.69088 hours remaining, 232.355469 MB of memory in use. ENERGY: 773800 3963.6925 20496.1583 14420.8895 273.6583 -203437.4150 2342.9214 0.0000 0.0000 51858.7144 -110081.3806 298.0327 -161940.0950 -109709.4332 297.5849 -283.2421 -256.1375 762745.3667 4.0161 4.0942 PRESSURE: 774000 -297.535 38.3381 24.9165 38.3383 122.886 191.849 24.9168 191.85 -103.369 GPRESSURE: 774000 -269.769 117.244 65.4728 62.0053 145.537 174.11 48.7168 156.352 -75.7601 PRESSAVG: 774000 9.6964 -8.71742 -2.14917 -8.71744 53.6647 47.7452 -2.14915 47.7452 -17.1434 GPRESSAVG: 774000 8.93983 -11.8145 -1.43981 -4.49364 52.9344 47.6998 0.286391 45.1719 -15.892 TIMING: 774000 CPU: 2507.6, 0.00314896/step Wall: 2507.6, 0.00314896/step, 3.69653 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 3984.6954 20630.4476 14491.3165 260.0160 -204071.3202 2714.3544 0.0000 0.0000 51934.8450 -110055.6453 298.4703 -161990.4903 -109692.6981 297.8581 -92.6724 -66.6640 759982.0824 15.4059 15.3274 PRESSURE: 774200 13.0774 238.703 237.803 238.703 135.663 -329.646 237.802 -329.646 357.577 GPRESSURE: 774200 38.7785 221.19 151.291 97.1072 238.662 -308.228 122.022 -204.943 311.476 PRESSAVG: 774200 -9.17093 5.95677 54.9219 5.95674 5.42204 33.8096 54.9219 33.8097 -12.4372 GPRESSAVG: 774200 -8.34913 7.56524 51.3318 3.01133 4.92845 35.0557 53.0322 35.4153 -12.6291 TIMING: 774200 CPU: 2508.23, 0.00313844/step Wall: 2508.23, 0.00313844/step, 3.68401 hours remaining, 232.355469 MB of memory in use. ENERGY: 774200 3997.9730 20564.3927 14496.4742 260.8951 -204338.7696 3121.3945 0.0000 0.0000 51986.0915 -109911.5487 298.7648 -161897.6401 -109561.1253 298.3976 168.7726 196.3054 760850.8035 -5.3954 -5.3499 PRESSURE: 774400 168.496 110.254 -268.853 110.255 17.4589 -246.517 -268.853 -246.518 394.411 GPRESSURE: 774400 139.275 125.407 -219.433 44.4097 97.4282 -322.729 -123.414 -84.5412 426.187 PRESSAVG: 774400 -32.9666 24.2142 12.5585 24.2141 16.1423 -14.144 12.5585 -14.1439 8.78342 GPRESSAVG: 774400 -33.7484 20.8095 15.6863 24.937 17.6861 -14.5987 14.3796 -13.6146 7.5881 TIMING: 774400 CPU: 2508.85, 0.00314274/step Wall: 2508.85, 0.00314274/step, 3.68888 hours remaining, 232.355469 MB of memory in use. ENERGY: 774400 3921.8485 20233.9710 14475.8206 263.6389 -203539.1564 2614.0919 0.0000 0.0000 51906.3720 -110123.4135 298.3066 -162029.7855 -109757.2871 297.8890 193.4553 220.9632 762708.6576 -2.6803 -2.8247 PRESSURE: 774600 -196.815 56.5468 152.145 56.5458 157.31 254.561 152.146 254.561 144.746 GPRESSURE: 774600 5.76856 27.6928 96.3902 124.143 75.8392 309.912 124.416 307.25 116.744 PRESSAVG: 774600 30.4083 -24.1022 -2.09087 -24.1022 33.4286 11.7214 -2.0909 11.7214 11.8891 GPRESSAVG: 774600 30.9739 -22.9335 -3.39628 -24.3092 31.3873 13.4623 -2.75455 10.6825 13.0961 TIMING: 774600 CPU: 2509.49, 0.003159/step Wall: 2509.49, 0.003159/step, 3.70778 hours remaining, 232.355469 MB of memory in use. ENERGY: 774600 3902.8271 20471.2933 14413.0074 249.0307 -203804.1814 2794.3163 0.0000 0.0000 52029.4179 -109944.2886 299.0138 -161973.7065 -109565.2696 298.2919 35.0804 66.1173 759427.4796 25.2420 25.1524 PRESSURE: 774800 65.6066 -45.3881 97.7467 -45.3891 89.8006 83.6795 97.7453 83.68 278.755 GPRESSURE: 774800 80.7018 -13.0441 86.7743 40.0809 132.13 -29.5419 83.5454 236.36 300.737 PRESSAVG: 774800 12.5397 6.77116 -9.59301 6.77116 38.2939 38.5087 -9.59306 38.5087 3.93173 GPRESSAVG: 774800 10.6467 7.72286 -8.36039 8.30039 40.4366 37.7346 -10.1669 40.1229 3.85354 TIMING: 774800 CPU: 2510.12, 0.00315757/step Wall: 2510.12, 0.00315757/step, 3.70594 hours remaining, 232.355469 MB of memory in use. ENERGY: 774800 3982.0905 20381.3373 14427.8269 251.6831 -203779.7545 2627.3499 0.0000 0.0000 52089.7805 -110019.6863 299.3607 -162109.4668 -109658.2082 298.5935 144.7208 171.1897 758716.0455 18.2551 18.3123 PRESSURE: 775000 -48.8039 -123.412 -119.872 -123.411 11.4555 -200.307 -119.872 -200.306 -146.408 GPRESSURE: 775000 7.65688 -155.073 -26.0867 -152.961 40.5255 -227.237 4.06635 -182.95 -174.822 PRESSAVG: 775000 13.1655 -5.3513 -3.54111 -5.35128 6.35275 34.555 -3.54114 34.555 2.26396 GPRESSAVG: 775000 13.8356 -5.41385 -1.43109 -8.2658 6.29462 35.3144 -2.868 34.5218 2.04741 TIMING: 775000 CPU: 2510.75, 0.00314619/step Wall: 2510.75, 0.00314619/step, 3.6924 hours remaining, 232.355469 MB of memory in use. ENERGY: 775000 3925.4395 20524.4035 14490.3426 250.8233 -203710.8337 2492.0999 0.0000 0.0000 52038.4523 -109989.2727 299.0657 -162027.7250 -109619.4035 298.4980 -61.2522 -42.2133 758756.9976 7.2607 7.3925 PRESSURE: 775200 218.986 -450.095 254.842 -450.096 630.449 -74.6686 254.842 -74.6697 204.954 GPRESSURE: 775200 306.644 -393.88 169.919 -247.802 640.952 -113.867 215.03 -64.5137 190.801 PRESSAVG: 775200 40.9403 -20.9042 12.4195 -20.9042 5.82425 39.9817 12.4195 39.9817 -18.1949 GPRESSAVG: 775200 41.157 -21.452 11.3538 -16.6141 5.2469 41.6268 13.4902 37.3464 -17.853 TIMING: 775200 CPU: 2511.38, 0.00314647/step Wall: 2511.38, 0.00314647/step, 3.69256 hours remaining, 232.355469 MB of memory in use. ENERGY: 775200 4042.3176 20493.1159 14433.7030 243.1895 -204296.3498 3100.6611 0.0000 0.0000 51971.9947 -110011.3681 298.6838 -161983.3628 -109654.6058 298.6972 351.4632 379.4654 758773.9284 9.5232 9.5170 PRESSURE: 775400 654.866 -54.7594 -174.718 -54.76 111.45 -42.95 -174.717 -42.9499 -441.039 GPRESSURE: 775400 722.5 -10.9544 -198.536 -129.227 102.19 -25.7449 -82.3803 64.6252 -422.233 PRESSAVG: 775400 0.0853215 -29.817 -8.00587 -29.817 -15.3308 11.1692 -8.00591 11.1692 17.3085 GPRESSAVG: 775400 -0.755185 -29.0516 -8.48129 -30.735 -14.4158 8.81013 -7.99163 12.3806 18.0554 TIMING: 775400 CPU: 2512.01, 0.0031676/step Wall: 2512.01, 0.0031676/step, 3.71718 hours remaining, 232.355469 MB of memory in use. ENERGY: 775400 4028.5116 20478.4480 14485.8927 261.5831 -204159.1708 2947.0690 0.0000 0.0000 51946.4481 -110011.2183 298.5370 -161957.6664 -109657.0349 297.6835 108.4256 134.1525 760348.9537 0.6877 0.9615 PRESSURE: 775600 -407.199 -40.3775 82.78 -40.3777 190.808 -8.62837 82.7801 -8.62863 -182.517 GPRESSURE: 775600 -392.906 -35.5822 22.3385 -134.809 201.511 -32.8857 101.018 -33.407 -119.979 PRESSAVG: 775600 -30.0296 -53.1179 38.1421 -53.118 18.7644 -5.70532 38.1421 -5.70533 -19.7897 GPRESSAVG: 775600 -28.2097 -53.0301 38.6748 -55.7991 17.3062 -6.21706 33.7089 -4.51928 -20.2543 TIMING: 775600 CPU: 2512.64, 0.00314012/step Wall: 2512.64, 0.00314012/step, 3.68476 hours remaining, 232.355469 MB of memory in use. ENERGY: 775600 4042.8671 20468.9824 14469.0257 240.8776 -203510.6009 2873.3130 0.0000 0.0000 51610.7042 -109804.8309 296.6074 -161415.5351 -109452.4336 298.5178 -132.9694 -103.7913 762123.2245 -10.3516 -10.3859 PRESSURE: 775800 -307.968 78.2322 -279.343 78.2321 -90.9969 71.339 -279.345 71.3379 -170.497 GPRESSURE: 775800 -173.989 131.595 -219.669 71.8958 -111.835 87.2273 -120.599 50.7766 -185.077 PRESSAVG: 775800 -29.1598 -73.3297 -34.0202 -73.3297 9.12486 32.9212 -34.0202 32.9212 17.8831 GPRESSAVG: 775800 -30.5833 -74.5095 -35.2496 -71.8443 9.80277 33.5593 -30.5269 32.1903 18.4857 TIMING: 775800 CPU: 2513.27, 0.00315503/step Wall: 2513.27, 0.00315503/step, 3.70207 hours remaining, 232.355469 MB of memory in use. ENERGY: 775800 3963.3760 20500.2064 14498.0443 242.4039 -203535.5210 2551.7675 0.0000 0.0000 51929.4604 -109850.2625 298.4393 -161779.7229 -109477.7831 298.3312 -189.8203 -156.9670 760529.4285 -0.7173 -0.7650 PRESSURE: 776000 -76.9556 71.0857 -26.2588 71.0862 59.2172 30.3066 -26.2596 30.3062 -80.666 GPRESSURE: 776000 38.6826 17.6802 -80.7809 66.9309 47.9826 52.4064 3.85628 16.9089 -97.151 PRESSAVG: 776000 37.4959 -56.9416 6.85212 -56.9416 -4.55771 46.4011 6.85211 46.4012 8.60589 GPRESSAVG: 776000 38.6408 -57.2821 4.48019 -55.4718 -6.61403 46.1526 7.32445 47.0101 8.80373 TIMING: 776000 CPU: 2513.9, 0.00315642/step Wall: 2513.9, 0.00315642/step, 3.70353 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 3894.7149 20540.1785 14515.6316 260.2539 -203502.4555 2538.9037 0.0000 0.0000 51985.5797 -109767.1932 298.7618 -161752.7729 -109403.5890 298.5781 -32.8015 -3.4953 760574.1391 13.8480 13.6102 PRESSURE: 776200 -190.613 69.7235 85.548 69.7241 -60.5829 -33.0146 85.5475 -33.0151 -261.29 GPRESSURE: 776200 -193.285 53.7585 79.1341 177.771 31.9414 56.3564 34.6792 -108.322 -282.955 PRESSAVG: 776200 -26.9869 -3.56337 43.0151 -3.56339 14.2378 40.5089 43.0152 40.5088 4.43103 GPRESSAVG: 776200 -26.8501 -2.81653 44.3016 -3.69423 14.6719 40.0508 42.1342 41.3791 3.88356 TIMING: 776200 CPU: 2514.54, 0.00317456/step Wall: 2514.54, 0.00317456/step, 3.72464 hours remaining, 232.355469 MB of memory in use. ENERGY: 776200 4008.5637 20723.7407 14424.8661 240.8119 -203519.2796 2463.4303 0.0000 0.0000 51906.1813 -109751.6855 298.3055 -161657.8669 -109395.7285 298.9978 -170.8285 -148.0997 759818.5631 -2.7727 -2.7649 LDB: ============= START OF LOAD BALANCING ============== 2526.96 LDB: ============== END OF LOAD BALANCING =============== 2526.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2526.96 LDB: ============= START OF LOAD BALANCING ============== 2527.28 LDB: Largest compute 7058 load 0.034710 is 17.8% of average load 0.195050 LDB: Average compute 0.004401 is 2.3% of average load 0.195050 LDB: TIME 2527.28 LOAD: AVG 0.19505 MAX 0.214352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.316 MB LDB: TIME 2527.28 LOAD: AVG 0.19505 MAX 0.214352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.41 MB LDB: TIME 2527.28 LOAD: AVG 0.19505 MAX 0.214352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.41 MB LDB: ============== END OF LOAD BALANCING =============== 2527.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2527.29 PRESSURE: 776400 73.5022 -36.9936 137.752 -36.9944 132.691 -66.5361 137.752 -66.5363 158.801 GPRESSURE: 776400 15.9127 -95.6735 151.675 -112.584 228.738 -17.6825 111.869 -69.3227 195.545 PRESSAVG: 776400 -48.5159 -5.68506 -5.90139 -5.68504 42.4987 50.5887 -5.90141 50.5887 -25.2016 GPRESSAVG: 776400 -49.2061 -8.2125 -3.75922 -4.82149 43.3365 49.766 -6.71378 49.955 -25.4939 TIMING: 776400 CPU: 2515.18, 0.00322994/step Wall: 2515.18, 0.00322994/step, 3.78944 hours remaining, 232.289062 MB of memory in use. ENERGY: 776400 3953.0156 20615.3945 14428.1913 246.6977 -203713.3928 2665.7544 0.0000 0.0000 51956.4084 -109847.9309 298.5942 -161804.3393 -109487.6546 299.1276 121.6648 146.7320 759423.8485 -10.4063 -10.4545 PRESSURE: 776600 -44.8316 7.48442 235.564 7.48472 222.914 141.031 235.564 141.031 -181.4 GPRESSURE: 776600 34.4449 7.91495 190.758 17.7184 154.377 181.806 280.096 46.6484 -103.563 PRESSAVG: 776600 -64.7006 -16.7825 -26.6447 -16.7825 41.0307 13.2719 -26.6447 13.2719 7.08142 GPRESSAVG: 776600 -65.0717 -14.6321 -28.3616 -17.9626 42.19 13.3121 -24.399 13.5662 6.61603 TIMING: 776600 CPU: 2515.81, 0.00315118/step Wall: 2515.81, 0.00315118/step, 3.69685 hours remaining, 232.492188 MB of memory in use. ENERGY: 776600 4006.6275 20514.0631 14453.4131 234.0500 -203221.7916 2495.5364 0.0000 0.0000 51780.8334 -109737.2681 297.5852 -161518.1015 -109377.9223 298.8296 -1.1059 28.4197 759596.6979 -5.5295 -5.4219 PRESSURE: 776800 -159.995 -269.267 -44.265 -269.267 109.042 48.3089 -44.2647 48.31 -27.7448 GPRESSURE: 776800 -82.6196 -276.594 -65.0368 -150.719 162.392 88.7327 24.6065 77.8814 -55.1497 PRESSAVG: 776800 9.5997 13.953 -28.8066 13.953 17.919 13.5275 -28.8066 13.5274 -13.4021 GPRESSAVG: 776800 9.897 13.4582 -27.2401 13.6899 16.1251 15.2623 -31.6523 12.5087 -11.9325 TIMING: 776800 CPU: 2516.44, 0.00314636/step Wall: 2516.44, 0.00314636/step, 3.69103 hours remaining, 232.492188 MB of memory in use. ENERGY: 776800 4019.7844 20672.6092 14439.6956 230.0544 -203645.9847 2531.9063 0.0000 0.0000 51883.2461 -109868.6887 298.1737 -161751.9348 -109518.1825 298.8364 -26.2327 8.2075 759415.9459 4.7055 4.6965 PRESSURE: 777000 150.874 163.19 196.774 163.19 30.0331 -105.042 196.774 -105.042 100.884 GPRESSURE: 777000 176.909 58.5149 211.028 62.869 95.9043 -22.1418 65.724 -101.914 91.8616 PRESSAVG: 777000 -29.0544 -26.0401 19.049 -26.04 36.6531 19.5465 19.049 19.5465 22.8189 GPRESSAVG: 777000 -30.1415 -23.5239 18.1736 -26.6125 37.8919 18.4825 20.5733 18.4293 22.822 TIMING: 777000 CPU: 2517.08, 0.00317635/step Wall: 2517.08, 0.00317635/step, 3.72603 hours remaining, 232.492188 MB of memory in use. ENERGY: 777000 3953.2960 20431.5161 14470.7956 224.3177 -203774.1858 2758.6050 0.0000 0.0000 51963.6254 -109972.0300 298.6357 -161935.6554 -109612.0525 297.9876 93.9305 121.5582 759055.3712 10.1392 10.1908 PRESSURE: 777200 44.6619 -46.7042 -97.0536 -46.7045 -107.487 109.327 -97.0535 109.327 -151.887 GPRESSURE: 777200 96.7816 -110.167 -188.262 -100.218 -58.4783 45.3412 -47.5367 112.177 -163.333 PRESSAVG: 777200 -30.607 43.3452 -4.10249 43.3452 34.42 11.7794 -4.10243 11.7795 -27.421 GPRESSAVG: 777200 -30.5369 41.1203 -4.46935 43.7201 34.9262 12.5091 -3.89578 12.7321 -27.4156 TIMING: 777200 CPU: 2517.71, 0.00315974/step Wall: 2517.71, 0.00315974/step, 3.70637 hours remaining, 232.492188 MB of memory in use. ENERGY: 777200 3986.3242 20496.6497 14383.2984 248.7788 -203271.5335 2495.0419 0.0000 0.0000 51877.6648 -109783.7758 298.1417 -161661.4406 -109426.2746 298.2947 -71.5706 -41.6765 759728.3397 -7.8694 -7.6755 PRESSURE: 777400 -329.088 -61.8769 -46.3764 -61.8766 -195.63 -26.0802 -46.3766 -26.0803 -155.612 GPRESSURE: 777400 -211.527 -104.939 -60.902 -56.5807 -200.914 -64.663 -59.8715 -9.34407 -187.928 PRESSAVG: 777400 14.8784 4.08844 3.31799 4.08842 2.83069 58.3579 3.31805 58.3579 11.0287 GPRESSAVG: 777400 15.5176 5.29728 3.83811 4.31949 3.65089 57.465 3.506 57.4549 9.68717 TIMING: 777400 CPU: 2518.34, 0.00315476/step Wall: 2518.34, 0.00315476/step, 3.70036 hours remaining, 232.492188 MB of memory in use. ENERGY: 777400 4027.1036 20294.5411 14427.9016 253.0138 -203107.9948 2200.2434 0.0000 0.0000 51967.2170 -109937.9743 298.6563 -161905.1913 -109576.6720 298.4715 -226.7763 -200.1230 759816.3986 9.5793 9.6186 PRESSURE: 777600 -194.133 65.3968 -6.76771 65.3967 56.742 41.8053 -6.76823 41.805 109.488 GPRESSURE: 777600 -141.2 24.8759 -45.9444 22.4336 44.0933 92.1929 -103.931 127.386 176.861 PRESSAVG: 777600 -34.1824 -31.0566 15.1824 -31.0566 28.545 -17.0734 15.1824 -17.0734 6.44508 GPRESSAVG: 777600 -33.1806 -31.7501 14.0602 -30.5742 26.9749 -16.1263 11.8015 -15.7471 7.53697 TIMING: 777600 CPU: 2518.97, 0.0031432/step Wall: 2518.97, 0.0031432/step, 3.68663 hours remaining, 232.492188 MB of memory in use. ENERGY: 777600 4025.5454 20561.4166 14394.4632 270.6153 -203536.9580 2646.0923 0.0000 0.0000 51938.7943 -109700.0310 298.4930 -161638.8253 -109337.1749 298.3954 -9.3010 26.5849 760281.5914 0.2692 0.4437 PRESSURE: 777800 73.549 8.73623 -141.887 8.73599 67.7784 -238.87 -141.887 -238.869 -202.351 GPRESSURE: 777800 169.056 12.236 -134.508 89.8228 100.856 -279.464 -54.7909 -123.583 -216.266 PRESSAVG: 777800 -12.5289 18.0029 7.42832 18.0029 -24.574 12.8658 7.42826 12.8659 12.8395 GPRESSAVG: 777800 -13.7271 17.0283 6.40837 18.3654 -23.2552 13.3329 10.5175 13.8797 12.7171 TIMING: 777800 CPU: 2519.6, 0.00314395/step Wall: 2519.6, 0.00314395/step, 3.68733 hours remaining, 232.492188 MB of memory in use. ENERGY: 777800 4063.6511 20464.4893 14340.7748 246.9227 -204008.2932 2834.9282 0.0000 0.0000 52095.9831 -109961.5439 299.3963 -162057.5271 -109609.1792 298.8777 -20.3412 17.8821 758897.0506 -8.0878 -8.0884 PRESSURE: 778000 -293.486 59.7996 -108.119 59.7989 -172.462 87.581 -108.119 87.5812 115.668 GPRESSURE: 778000 -282.138 114.521 -77.5131 22.3232 -139.191 64.231 -81.9278 106.297 137.158 PRESSAVG: 778000 -27.4634 7.48704 -32.92 7.48703 37.7493 10.7334 -32.92 10.7334 -13.5277 GPRESSAVG: 778000 -26.4144 8.68972 -31.1288 7.07803 36.7752 10.1851 -32.5671 9.64661 -13.4287 TIMING: 778000 CPU: 2520.23, 0.00315169/step Wall: 2520.23, 0.00315169/step, 3.69623 hours remaining, 232.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 778000 4001.2615 20474.1007 14415.0364 235.7418 -203319.3435 2483.1905 0.0000 0.0000 51930.6252 -109779.3874 298.4460 -161710.0126 -109417.1113 298.8928 -116.7602 -94.7236 762210.1048 -1.0806 -1.0226 PRESSURE: 778200 25.6838 186.984 -176.516 186.986 -378.593 -122.282 -176.516 -122.283 -201.502 GPRESSURE: 778200 53.5818 114.463 -99.446 53.7753 -306.957 -77.6575 -145.193 -183.542 -199.646 PRESSAVG: 778200 30.6894 -8.78154 -30.5506 -8.78151 -36.1335 -56.4779 -30.5506 -56.4779 -1.1235 GPRESSAVG: 778200 31.0614 -7.42296 -30.9333 -11.9309 -36.4664 -58.0807 -30.5618 -54.4474 -1.22911 TIMING: 778200 CPU: 2520.86, 0.00314719/step Wall: 2520.86, 0.00314719/step, 3.69077 hours remaining, 232.492188 MB of memory in use. ENERGY: 778200 3969.6497 20561.9874 14426.9194 259.6538 -203636.0558 2416.9780 0.0000 0.0000 52177.5048 -109823.3627 299.8648 -162000.8675 -109474.4164 298.5991 -184.8038 -151.0071 759822.6179 -2.1892 -2.2114 PRESSURE: 778400 9.40433 120.546 -167.102 120.545 156.123 16.6107 -167.102 16.6117 39.6517 GPRESSURE: 778400 101.616 159.659 -227.063 94.5738 161.079 111.657 -202.456 31.7123 6.09061 PRESSAVG: 778400 -28.3134 28.8154 -25.8 28.8154 7.10615 -30.256 -25.7999 -30.2561 14.9255 GPRESSAVG: 778400 -28.7353 28.5224 -26.7691 32.2243 6.94003 -28.1368 -25.5019 -31.3868 15.8421 TIMING: 778400 CPU: 2521.48, 0.00314131/step Wall: 2521.48, 0.00314131/step, 3.68371 hours remaining, 232.492188 MB of memory in use. ENERGY: 778400 4000.2650 20406.4932 14456.5196 230.9429 -203773.5344 2772.0176 0.0000 0.0000 52121.0394 -109786.2566 299.5403 -161907.2960 -109411.7738 298.9283 68.3929 89.5953 761255.1078 -2.0939 -1.9844 PRESSURE: 778600 103.077 -143.556 288.951 -143.556 -245.729 139.21 288.951 139.208 -30.6676 GPRESSURE: 778600 42.7481 -208.55 309.62 -119.366 -101.542 77.5067 208.551 62.7497 -14.6378 PRESSAVG: 778600 5.69091 -47.4044 -1.2919 -47.4044 14.1441 10.6209 -1.29191 10.6209 -12.3634 GPRESSAVG: 778600 5.45366 -48.0498 -0.372076 -48.2812 14.2583 8.65058 -2.61281 10.0726 -12.6726 TIMING: 778600 CPU: 2522.11, 0.00314446/step Wall: 2522.11, 0.00314446/step, 3.68723 hours remaining, 232.492188 MB of memory in use. ENERGY: 778600 4019.0899 20402.8773 14484.0474 223.4356 -203681.0714 2711.5218 0.0000 0.0000 52078.2181 -109761.8813 299.2942 -161840.0993 -109404.4299 298.7967 -57.7731 -24.4773 759715.2880 2.4905 2.3465 PRESSURE: 778800 172.01 -31.825 -109.283 -31.8251 -94.9351 -59.5328 -109.283 -59.5341 -67.0898 GPRESSURE: 778800 213.604 56.7243 -81.6497 64.0827 -69.6991 -123.622 -19.2133 -62.7537 -33.359 PRESSAVG: 778800 -29.0381 -14.1491 36.8015 -14.1491 27.5256 24.5988 36.8015 24.5987 34.0201 GPRESSAVG: 778800 -30.7953 -15.1079 36.5316 -13.6826 28.6951 24.8462 39.1385 25.9844 34.5778 TIMING: 778800 CPU: 2522.74, 0.00315172/step Wall: 2522.74, 0.00315172/step, 3.69557 hours remaining, 232.492188 MB of memory in use. ENERGY: 778800 3996.0212 20248.2568 14451.9837 241.7426 -203892.0809 2855.5507 0.0000 0.0000 52181.9170 -109916.6090 299.8902 -162098.5259 -109545.4352 298.7059 3.3283 36.8487 758902.7985 10.8358 10.8259 PRESSURE: 779000 -135.438 10.3917 -31.3329 10.3918 -20.1397 2.31112 -31.3339 2.31078 -143.83 GPRESSURE: 779000 -221.161 57.6479 22.0905 8.94317 78.363 -19.5671 -40.5708 -1.28925 -83.0934 PRESSAVG: 779000 -1.3776 12.5141 -33.611 12.5142 55.3662 34.0493 -33.611 34.0494 -7.78713 GPRESSAVG: 779000 1.39629 13.6672 -33.269 12.2063 53.0787 34.261 -35.2707 34.194 -8.8447 TIMING: 779000 CPU: 2523.37, 0.00314622/step Wall: 2523.37, 0.00314622/step, 3.68894 hours remaining, 232.492188 MB of memory in use. ENERGY: 779000 3915.8954 20682.7686 14424.8216 237.9270 -203666.6266 2550.8571 0.0000 0.0000 51917.9375 -109936.4195 298.3731 -161854.3570 -109575.3739 298.4278 -99.8023 -75.2971 759135.5800 15.4005 15.2101 PRESSURE: 779200 -222.096 43.8376 -7.15753 43.8376 -35.7289 -18.5855 -7.15677 -18.5867 359.195 GPRESSURE: 779200 -166.357 -40.6151 -12.283 -64.4191 1.95681 -113.075 122.355 61.1204 332.028 PRESSAVG: 779200 -50.4451 -10.9578 36.7389 -10.9577 24.256 28.8574 36.7389 28.8573 3.52031 GPRESSAVG: 779200 -51.4582 -11.4249 36.3495 -12.1738 24.5775 29.0608 36.3808 27.3593 3.93063 TIMING: 779200 CPU: 2524, 0.00313344/step Wall: 2524, 0.00313344/step, 3.67379 hours remaining, 232.492188 MB of memory in use. ENERGY: 779200 3938.0651 20526.6330 14521.5009 275.1093 -203858.3089 2708.5150 0.0000 0.0000 52009.8677 -109878.6178 298.9014 -161888.4855 -109514.0900 298.6447 33.7900 55.8760 760209.0747 -7.5563 -7.6500 PRESSURE: 779400 -59.1859 -121.515 83.1372 -121.515 -97.4029 -151.59 83.1376 -151.589 -15.6443 GPRESSURE: 779400 -30.847 -170.116 27.86 0.330069 5.05749 -86.6157 -71.7807 -186.964 -81.5856 PRESSAVG: 779400 -6.84925 -4.65827 32.8291 -4.65823 22.1053 -0.0875604 32.8292 -0.0875286 1.38308 GPRESSAVG: 779400 -8.01517 -5.45555 31.5264 -2.13021 22.7684 1.30946 33.5297 0.287837 1.65939 TIMING: 779400 CPU: 2524.63, 0.00313081/step Wall: 2524.63, 0.00313081/step, 3.67053 hours remaining, 232.492188 MB of memory in use. ENERGY: 779400 3899.7195 20581.8330 14465.2462 263.3852 -203026.1604 2025.4924 0.0000 0.0000 52021.3405 -109769.1436 298.9674 -161790.4841 -109405.1512 298.6439 -57.4110 -35.7917 761752.4907 5.5464 5.4709 PRESSURE: 779600 40.0762 -214.513 -273.784 -214.513 99.7437 -169.007 -273.784 -169.009 -231.451 GPRESSURE: 779600 126.57 -135.598 -215.445 -220.02 97.9343 -202.163 -319.301 -59.0758 -251.769 PRESSAVG: 779600 -3.40432 -20.6474 -30.0473 -20.6474 38.455 -23.7427 -30.0473 -23.7428 11.3379 GPRESSAVG: 779600 -2.22414 -20.498 -25.7153 -23.4003 38.3491 -23.2907 -30.9962 -23.684 10.4382 TIMING: 779600 CPU: 2525.25, 0.00313918/step Wall: 2525.25, 0.00313918/step, 3.68017 hours remaining, 232.492188 MB of memory in use. ENERGY: 779600 3951.3563 20596.3778 14448.5036 243.6553 -203548.2454 2412.6686 0.0000 0.0000 51913.0452 -109982.6385 298.3450 -161895.6837 -109637.1100 298.3239 -30.5438 -9.0884 760243.6795 15.4628 15.5210 PRESSURE: 779800 269.756 -88.5076 -25.5754 -88.5077 -133.513 252.976 -25.5751 252.975 -19.4171 GPRESSURE: 779800 298.627 -97.2329 -85.9989 -43.5425 -110.266 269.154 -61.2966 255.392 -17.1374 PRESSAVG: 779800 24.8399 -36.2822 -24.92 -36.2823 12.3201 -11.4542 -24.9199 -11.4542 -13.523 GPRESSAVG: 779800 24.0382 -36.6842 -26.7214 -35.2202 12.3759 -14.6161 -26.1979 -12.7952 -13.2595 TIMING: 779800 CPU: 2525.89, 0.00316956/step Wall: 2525.89, 0.00316956/step, 3.71561 hours remaining, 232.492188 MB of memory in use. ENERGY: 779800 3987.1963 20523.8453 14433.2770 247.0138 -203758.3507 2495.2685 0.0000 0.0000 52161.3153 -109910.4344 299.7718 -162071.7497 -109544.0040 298.5234 38.9419 57.0744 761137.5718 7.8790 7.7182 PRESSURE: 780000 407.143 -169.613 17.6839 -169.613 177.355 -17.3803 17.6838 -17.3801 60.5518 GPRESSURE: 780000 425.441 -99.7275 -4.01677 -94.2717 244.409 -42.6602 53.1019 43.7177 54.9164 PRESSAVG: 780000 20.625 -41.5097 30.3852 -41.5098 -79.4282 51.6684 30.3852 51.6685 -1.23067 GPRESSAVG: 780000 20.6512 -41.6903 30.076 -40.8318 -80.4099 54.3135 30.7772 52.5592 0.0974178 TIMING: 780000 CPU: 2526.52, 0.00314576/step Wall: 2526.52, 0.00314576/step, 3.68753 hours remaining, 232.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 780000 3938.6297 20451.5067 14449.3278 255.4132 -203631.3834 2772.0826 0.0000 0.0000 52028.3055 -109736.1180 299.0074 -161764.4235 -109372.3131 298.0993 215.0163 241.5887 760071.2395 -20.0113 -19.8871 PRESSURE: 780200 155.102 -194.932 80.8096 -194.932 -61.0766 33.6149 80.8086 33.6141 59.2354 GPRESSURE: 780200 251.072 -140.776 55.6394 -153.638 -54.2011 -2.47465 169.101 -70.798 57.3181 PRESSAVG: 780200 14.6318 -83.2343 -20.5533 -83.2343 -10.5592 -22.0856 -20.5533 -22.0856 1.8225 GPRESSAVG: 780200 14.7144 -80.7635 -20.613 -84.8643 -9.04237 -22.2445 -18.8995 -23.5837 0.42119 TIMING: 780200 CPU: 2527.15, 0.00314629/step Wall: 2527.15, 0.00314629/step, 3.68797 hours remaining, 232.492188 MB of memory in use. ENERGY: 780200 4066.5512 20546.2468 14482.1348 255.1164 -203471.2858 2988.6063 0.0000 0.0000 51670.6470 -109461.9833 296.9519 -161132.6302 -109115.9837 298.5779 51.0870 84.7298 761075.9290 1.9650 2.0311 LDB: ============= START OF LOAD BALANCING ============== 2539.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2539.57 LDB: =============== DONE WITH MIGRATION ================ 2539.57 LDB: ============= START OF LOAD BALANCING ============== 2539.89 LDB: Largest compute 7049 load 0.035265 is 18.1% of average load 0.195056 LDB: Average compute 0.004401 is 2.3% of average load 0.195056 LDB: TIME 2539.89 LOAD: AVG 0.195056 MAX 0.216266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.004 MB LDB: TIME 2539.89 LOAD: AVG 0.195056 MAX 0.216266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: TIME 2539.89 LOAD: AVG 0.195056 MAX 0.216266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: ============== END OF LOAD BALANCING =============== 2539.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2539.9 PRESSURE: 780400 -66.7746 91.0159 92.6396 91.0169 14.6387 -177.878 92.6399 -177.876 152.488 GPRESSURE: 780400 12.9807 36.3024 139.332 203.887 15.6056 -246.834 24.988 -75.6777 161.969 PRESSAVG: 780400 -3.18832 -45.1108 -4.26974 -45.1109 -27.7856 -37.5562 -4.26964 -37.5561 -2.55524 GPRESSAVG: 780400 -2.76587 -48.092 -5.66053 -43.1482 -28.5378 -38.5977 -2.87996 -36.2117 -2.61461 TIMING: 780400 CPU: 2527.79, 0.00321756/step Wall: 2527.79, 0.00321756/step, 3.77133 hours remaining, 230.746094 MB of memory in use. ENERGY: 780400 4001.4826 20395.8857 14406.1471 244.6484 -203481.3038 2836.3370 0.0000 0.0000 52042.2479 -109554.5551 299.0875 -161596.8030 -109186.4357 298.8683 33.4506 63.5184 760743.1532 -11.1764 -11.3061 PRESSURE: 780600 -78.1974 210.978 -166.68 210.978 11.4872 -50.7384 -166.679 -50.7367 -219.748 GPRESSURE: 780600 -11.9755 260.804 -211.303 50.5569 83.2954 -20.7662 -127.178 -127.788 -255.348 PRESSAVG: 780600 34.9273 -17.4106 -20.9436 -17.4107 -16.0914 37.3942 -20.9436 37.3942 6.47714 GPRESSAVG: 780600 35.2955 -14.7443 -19.3214 -19.5827 -16.8838 38.7047 -20.5386 39.7552 6.9488 TIMING: 780600 CPU: 2528.43, 0.00318725/step Wall: 2528.43, 0.00318725/step, 3.73563 hours remaining, 230.746094 MB of memory in use. ENERGY: 780600 3944.7814 20408.6768 14482.1077 256.5832 -202977.6040 2335.9402 0.0000 0.0000 52079.7279 -109469.7869 299.3029 -161549.5148 -109103.7981 299.0430 -95.4862 -61.3428 762276.4488 8.4377 8.4535 PRESSURE: 780800 -521.01 45.1814 -191.606 45.1812 -247.974 -147.016 -191.606 -147.016 382.59 GPRESSURE: 780800 -428.802 -20.8321 -100.373 -20.4157 -101.865 -120.693 -167.833 -97.6525 249.442 PRESSAVG: 780800 3.26046 -61.6179 -8.52635 -61.6179 32.5259 -29.3495 -8.52642 -29.3494 -15.5387 GPRESSAVG: 780800 4.01007 -62.2719 -10.4424 -61.7048 33.0556 -28.9863 -11.0209 -30.5724 -16.744 TIMING: 780800 CPU: 2529.05, 0.00312839/step Wall: 2529.05, 0.00312839/step, 3.66647 hours remaining, 230.746094 MB of memory in use. ENERGY: 780800 3986.1168 20581.7449 14515.2709 241.0219 -203521.9432 2418.2865 0.0000 0.0000 52104.0068 -109675.4953 299.4424 -161779.5021 -109303.1686 299.7308 -128.7980 -93.7417 761906.4393 6.7492 6.7739 PRESSURE: 781000 -185.42 -114.91 -127.768 -114.911 -114.763 169.322 -127.767 169.322 17.0798 GPRESSURE: 781000 -165.224 -40.0616 -222.047 35.1245 -146.555 112.77 -14.1717 200.827 108.849 PRESSAVG: 781000 11.4985 -54.1492 -18.4158 -54.1492 11.8288 -34.9077 -18.4159 -34.9077 34.5824 GPRESSAVG: 781000 11.4882 -53.891 -17.9027 -52.622 10.82 -36.2392 -17.0976 -35.3152 35.5604 TIMING: 781000 CPU: 2529.68, 0.00315846/step Wall: 2529.68, 0.00315846/step, 3.70154 hours remaining, 230.746094 MB of memory in use. ENERGY: 781000 4083.2875 20469.9412 14540.4607 247.0374 -203584.3537 2670.5131 0.0000 0.0000 51850.0183 -109723.0955 297.9828 -161573.1138 -109366.2430 299.0794 -94.3675 -67.6432 761559.1738 19.3032 19.2896 PRESSURE: 781200 38.0512 -59.0163 5.95801 -59.0158 -72.9975 59.9488 5.95859 59.9495 -208.917 GPRESSURE: 781200 52.0308 -150.804 10.8578 -33.402 -76.2428 132.861 -4.33221 -32.6297 -129.904 PRESSAVG: 781200 31.1967 -31.8182 -3.23813 -31.8182 -11.1835 -59.9275 -3.23816 -59.9275 5.82356 GPRESSAVG: 781200 31.5338 -32.1011 -3.44099 -32.0818 -10.6659 -59.2127 -3.22778 -58.7685 4.43462 TIMING: 781200 CPU: 2530.32, 0.00316499/step Wall: 2530.32, 0.00316499/step, 3.70902 hours remaining, 230.746094 MB of memory in use. ENERGY: 781200 3873.1140 20430.4435 14515.2662 248.2138 -203152.4130 2212.3223 0.0000 0.0000 52210.8410 -109662.2123 300.0564 -161873.0533 -109284.0149 299.2274 -81.2877 -51.3719 760601.9689 8.6123 8.4342 PRESSURE: 781400 519.148 -238.338 27.8662 -238.338 -61.1841 -102.925 27.8665 -102.925 153.35 GPRESSURE: 781400 527.695 -241.485 -22.9477 -135.964 36.6499 -79.148 11.6741 -117.201 149.152 PRESSAVG: 781400 29.2466 -87.6508 -13.5349 -87.6508 -55.2261 -3.06858 -13.5348 -3.06862 -7.86068 GPRESSAVG: 781400 27.8785 -89.9678 -12.8694 -85.8066 -55.7405 -1.07839 -14.0585 -4.32532 -6.00476 TIMING: 781400 CPU: 2530.95, 0.00314288/step Wall: 2530.95, 0.00314288/step, 3.68293 hours remaining, 230.746094 MB of memory in use. ENERGY: 781400 3937.2894 20464.1450 14480.9945 259.4981 -203581.8313 2915.8942 0.0000 0.0000 52053.1080 -109470.9021 299.1499 -161524.0101 -109105.9489 299.1133 203.7713 237.8322 761575.6029 -11.2801 -11.2889 PRESSURE: 781600 416.286 -53.6794 -6.81935 -53.6793 261.393 19.788 -6.82075 19.7881 386.78 GPRESSURE: 781600 385.774 -9.27826 -48.1843 29.5905 346.493 9.12959 37.774 -55.8583 393.489 PRESSAVG: 781600 -6.07948 -63.3264 15.7018 -63.3263 62.9804 14.0817 15.7019 14.0815 -21.5307 GPRESSAVG: 781600 -5.25034 -60.6872 16.707 -65.6141 62.4878 12.2155 16.6263 14.9549 -21.7343 TIMING: 781600 CPU: 2531.58, 0.00315477/step Wall: 2531.58, 0.00315477/step, 3.69669 hours remaining, 230.746094 MB of memory in use. ENERGY: 781600 3879.1930 20476.8307 14472.9330 249.4304 -203293.0091 2642.6949 0.0000 0.0000 52212.4478 -109359.4795 300.0657 -161571.9272 -109005.2998 299.1444 354.8196 375.2516 762139.3399 11.7901 11.8344 PRESSURE: 781800 135.109 64.6484 -93.6904 64.6484 -174.02 193.319 -93.6907 193.32 -200.246 GPRESSURE: 781800 158.196 2.40626 1.49339 59.5596 -124.014 135.449 -66.1954 223.421 -187.558 PRESSAVG: 781800 34.686 -68.604 43.6255 -68.604 -19.9968 -25.6861 43.6256 -25.6861 -11.1376 GPRESSAVG: 781800 33.1132 -68.6569 42.7163 -67.0348 -19.5052 -26.1912 44.2035 -24.2118 -10.3136 TIMING: 781800 CPU: 2532.21, 0.00318018/step Wall: 2532.21, 0.00318018/step, 3.72629 hours remaining, 230.746094 MB of memory in use. ENERGY: 781800 3986.9030 20440.0601 14471.0598 259.4096 -202872.6013 2322.4606 0.0000 0.0000 51922.1429 -109470.5653 298.3973 -161392.7082 -109109.3027 299.4213 -79.7192 -51.1253 763753.1046 1.1839 1.0981 PRESSURE: 782000 -290.342 -0.822197 356.161 -0.821861 -172.888 1.97988 356.162 1.97884 -785.139 GPRESSURE: 782000 -297.71 68.1041 349.446 7.26095 -143.366 -35.9039 146.076 -56.6602 -693.103 PRESSAVG: 782000 -3.91012 -19.6265 16.6475 -19.6265 -58.8578 48.4628 16.6475 48.4627 -31.0742 GPRESSAVG: 782000 -1.74782 -20.121 17.3744 -22.067 -58.6134 48.6723 15.7296 46.2891 -32.8742 TIMING: 782000 CPU: 2532.85, 0.00316561/step Wall: 2532.85, 0.00316561/step, 3.70904 hours remaining, 230.746094 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: 782000 3970.0248 20379.8695 14497.2248 249.6599 -202845.2483 2279.0433 0.0000 0.0000 52127.8431 -109341.5829 299.5794 -161469.4260 -108979.1825 299.0702 -416.1230 -378.0598 762859.1316 -31.2807 -31.0785 PRESSURE: 782200 -185.712 117.206 -88.7292 117.205 209.971 -182.475 -88.7287 -182.475 -96.1975 GPRESSURE: 782200 -234.18 177.89 -135.996 243.334 307.983 -205.166 -62.7147 -78.1003 -64.1338 PRESSAVG: 782200 0.741294 -20.5911 -14.4504 -20.5912 7.55652 4.88571 -14.4504 4.88564 -8.72425 GPRESSAVG: 782200 0.513935 -21.0523 -15.0002 -17.7096 6.96091 3.8014 -15.4338 6.17172 -7.80906 TIMING: 782200 CPU: 2533.48, 0.00317729/step Wall: 2533.48, 0.00317729/step, 3.72255 hours remaining, 230.746094 MB of memory in use. ENERGY: 782200 3984.2492 20571.5944 14467.6850 238.4593 -203289.8482 2627.2053 0.0000 0.0000 52101.4837 -109299.1713 299.4279 -161400.6550 -108933.1927 299.8843 -23.9795 3.2229 761146.8525 -0.1421 -0.1114 PRESSURE: 782400 -279.95 3.9457 -162.098 3.94611 -152.912 5.90524 -162.099 5.9051 -48.7641 GPRESSURE: 782400 -276.776 39.1649 -147.6 -60.6796 -85.4444 14.1058 -112.281 83.4413 -19.692 PRESSAVG: 782400 -9.53423 -29.0893 -10.4358 -29.0892 -2.8814 9.73099 -10.4358 9.7311 -7.72708 GPRESSAVG: 782400 -10.3278 -28.3317 -11.364 -30.1524 -2.30274 10.4577 -8.15313 10.7718 -6.79795 TIMING: 782400 CPU: 2534.11, 0.00316067/step Wall: 2534.11, 0.00316067/step, 3.7029 hours remaining, 230.746094 MB of memory in use. ENERGY: 782400 3971.7796 20640.8534 14486.4571 253.9212 -203266.2666 2549.7628 0.0000 0.0000 52176.7364 -109186.7561 299.8604 -161363.4925 -108831.3306 299.8873 -160.5421 -127.3042 762018.4785 -6.7142 -6.4762 PRESSURE: 782600 29.5827 -182.552 -58.3899 -182.552 150.59 105.184 -58.39 105.183 18.3138 GPRESSURE: 782600 112.416 -270.278 -179.507 -124.573 142.496 73.2875 6.18878 104.267 37.788 PRESSAVG: 782600 -5.97121 -18.8548 -36.1846 -18.8548 36.4029 -29.1062 -36.1846 -29.1062 15.9973 GPRESSAVG: 782600 -5.90127 -19.2762 -37.8082 -19.1026 36.6869 -28.0223 -37.3645 -33.118 15.3307 TIMING: 782600 CPU: 2534.74, 0.00315572/step Wall: 2534.74, 0.00315572/step, 3.69692 hours remaining, 230.746094 MB of memory in use. ENERGY: 782600 4001.5522 20461.1195 14441.8200 228.0163 -203087.6850 2480.2606 0.0000 0.0000 52234.1656 -109240.7508 300.1905 -161474.9164 -108872.4144 300.0399 66.1620 97.5664 759755.1049 15.4763 15.3721 PRESSURE: 782800 8.51346 181.645 120.833 181.645 -163.366 -65.2136 120.834 -65.2133 27.4556 GPRESSURE: 782800 -89.5604 138.797 111.903 186.659 -5.57108 -93.5794 45.0827 21.0456 42.1958 PRESSAVG: 782800 -16.274 3.96421 -7.54039 3.96422 9.98191 -31.6787 -7.54039 -31.6787 17.1039 GPRESSAVG: 782800 -15.5267 4.31749 -5.62981 2.07024 11.101 -34.037 -8.25704 -28.0821 15.7476 TIMING: 782800 CPU: 2535.37, 0.00314823/step Wall: 2535.37, 0.00314823/step, 3.68797 hours remaining, 230.746094 MB of memory in use. ENERGY: 782800 4059.6308 20568.3840 14566.0463 257.7556 -203175.2098 2492.3091 0.0000 0.0000 52209.7897 -109021.2942 300.0504 -161231.0839 -108664.3373 300.4526 -42.4657 -17.6452 759165.7954 3.6039 3.7740 PRESSURE: 783000 216.8 -288.054 228.416 -288.054 -20.0768 -3.86981 228.416 -3.86922 -497.285 GPRESSURE: 783000 198.483 -166.299 272.069 -233.945 75.2125 8.43301 148.472 4.43276 -483.658 PRESSAVG: 783000 -36.6863 -72.0456 14.4566 -72.0456 73.7221 -15.8914 14.4566 -15.8914 -14.2534 GPRESSAVG: 783000 -37.3118 -72.8417 15.9726 -69.955 73.0794 -14.3909 14.3112 -15.3479 -12.6896 TIMING: 783000 CPU: 2536, 0.0031377/step Wall: 2536, 0.0031377/step, 3.67546 hours remaining, 230.746094 MB of memory in use. ENERGY: 783000 4029.4328 20764.7925 14425.1279 247.4030 -203167.8248 2378.7105 0.0000 0.0000 52304.3586 -109017.9996 300.5939 -161322.3582 -108657.7700 300.5390 -100.1872 -69.9875 761111.2762 7.5941 7.6927 PRESSURE: 783200 -177.908 -349.234 164.165 -349.234 -149.964 -49.5645 164.164 -49.5651 59.5744 GPRESSURE: 783200 -135.784 -268.299 36.9734 -360.412 -32.9498 24.8928 166.832 -154.455 -15.1642 PRESSAVG: 783200 -19.3383 -60.4512 -14.2033 -60.4512 -13.3439 -26.937 -14.2033 -26.937 -1.91023 GPRESSAVG: 783200 -19.7929 -61.3018 -17.2144 -60.65 -13.5869 -25.5791 -12.7028 -29.8763 -1.43444 TIMING: 783200 CPU: 2536.63, 0.00313057/step Wall: 2536.63, 0.00313057/step, 3.66694 hours remaining, 230.746094 MB of memory in use. ENERGY: 783200 4015.0337 20713.7628 14440.5487 264.5809 -203341.4322 2517.2668 0.0000 0.0000 52248.1963 -109142.0430 300.2711 -161390.2393 -108778.5022 300.7445 -89.4327 -61.2993 762324.1318 -11.5308 -11.6047 PRESSURE: 783400 -50.8561 -179.241 4.24011 -179.241 -187.382 66.8314 4.24056 66.8323 -350.388 GPRESSURE: 783400 10.8821 -219.631 -26.2857 -142.543 -125.31 121.058 34.0042 77.1679 -374.67 PRESSAVG: 783400 11.4413 -16.8773 -11.0056 -16.8773 36.8415 -19.4432 -11.0056 -19.4432 38.3022 GPRESSAVG: 783400 12.1816 -13.0953 -9.43662 -16.9635 36.4037 -21.6707 -15.3931 -17.9738 37.8739 TIMING: 783400 CPU: 2537.25, 0.00311732/step Wall: 2537.25, 0.00311732/step, 3.65125 hours remaining, 230.746094 MB of memory in use. ENERGY: 783400 4035.7629 20643.0960 14426.1835 261.2831 -202753.0109 2108.2980 0.0000 0.0000 52147.9847 -109130.4026 299.6952 -161278.3873 -108773.4286 300.8670 -196.2087 -163.0323 760221.7390 28.8617 28.8197 PRESSURE: 783600 3.95276 -207.832 -499.742 -207.832 256.032 -49.8336 -499.743 -49.8343 9.06223 GPRESSURE: 783600 66.9459 -134.714 -478.575 -278.502 296.377 -67.3188 -433.773 -94.2129 3.9478 PRESSAVG: 783600 29.8213 -26.4003 24.2508 -26.4003 -6.00235 26.9584 24.2508 26.9584 3.2253 GPRESSAVG: 783600 29.5612 -26.7303 26.2858 -27.1983 -6.23439 25.8114 27.5879 27.7997 3.55968 TIMING: 783600 CPU: 2537.88, 0.00315446/step Wall: 2537.88, 0.00315446/step, 3.69457 hours remaining, 230.746094 MB of memory in use. ENERGY: 783600 3954.3209 20594.3872 14381.8670 265.8362 -203115.5488 2189.0290 0.0000 0.0000 52433.0601 -109297.0485 301.3335 -161730.1086 -108921.1635 300.1075 89.6823 122.4236 760069.9610 9.0147 8.9621 PRESSURE: 783800 149.806 29.0477 209.775 29.0484 -343.33 -26.598 209.775 -26.5982 -160.66 GPRESSURE: 783800 160.149 57.855 150.838 -56.1409 -237.692 -75.6481 68.6958 44.3459 -188.257 PRESSAVG: 783800 38.939 -11.4268 -14.0222 -11.4268 11.6009 -21.1782 -14.0222 -21.1782 36.9374 GPRESSAVG: 783800 38.59 -13.6872 -13.9776 -12.8148 13.0402 -20.2927 -16.3351 -22.6884 35.9564 TIMING: 783800 CPU: 2538.51, 0.00315296/step Wall: 2538.51, 0.00315296/step, 3.69264 hours remaining, 230.746094 MB of memory in use. ENERGY: 783800 4042.2109 20601.1951 14457.9636 248.4486 -203686.3060 2630.9289 0.0000 0.0000 52267.9784 -109437.5805 300.3848 -161705.5588 -109078.7895 299.8917 -118.0614 -88.6002 758084.9371 29.1591 29.1955 PRESSURE: 784000 81.1438 -9.9917 114.386 -9.99256 -98.7625 -20.0291 114.387 -20.0273 -445.167 GPRESSURE: 784000 126.939 6.26439 118.708 14.9074 -97.7265 33.1924 101.416 -60.2736 -415.781 PRESSAVG: 784000 31.2627 -26.7606 -7.46184 -26.7604 -0.865485 -16.4993 -7.46185 -16.4993 -10.1172 GPRESSAVG: 784000 31.8744 -25.9807 -9.78608 -25.9864 -1.41624 -15.4932 -6.16588 -14.9687 -9.80684 TIMING: 784000 CPU: 2539.14, 0.00314541/step Wall: 2539.14, 0.00314541/step, 3.68362 hours remaining, 230.746094 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: 784000 4039.8937 20678.0373 14545.7836 263.1001 -203570.5905 2490.8472 0.0000 0.0000 52403.2554 -109149.6733 301.1622 -161552.9287 -108792.3616 300.6389 -154.2618 -128.8563 759626.8092 6.7600 6.8838 PRESSURE: 784200 -127.283 257.955 539.44 257.955 -47.5295 68.6196 539.44 68.6193 10.3052 GPRESSURE: 784200 -183.175 129.428 484.339 308.228 -13.8214 79.9164 460.918 94.8691 117.603 PRESSAVG: 784200 32.2728 -46.1726 6.51648 -46.1725 11.3073 -6.2417 6.51646 -6.24173 -11.8698 GPRESSAVG: 784200 32.2173 -45.2834 7.73159 -44.2453 10.6725 -7.00097 7.52881 -7.03148 -11.3412 TIMING: 784200 CPU: 2539.77, 0.00314034/step Wall: 2539.77, 0.00314034/step, 3.67751 hours remaining, 230.746094 MB of memory in use. ENERGY: 784200 3992.5630 20722.0613 14532.7956 236.4234 -203500.2409 2455.9432 0.0000 0.0000 52309.0116 -109251.4428 300.6206 -161560.4544 -108893.0596 300.2664 -54.8358 -26.4645 760765.0616 10.5701 10.5162 LDB: ============= START OF LOAD BALANCING ============== 2552.19 LDB: ============== END OF LOAD BALANCING =============== 2552.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2552.19 LDB: ============= START OF LOAD BALANCING ============== 2552.51 LDB: Largest compute 7057 load 0.035607 is 18.3% of average load 0.195051 LDB: Average compute 0.004415 is 2.3% of average load 0.195051 LDB: TIME 2552.51 LOAD: AVG 0.195051 MAX 0.217827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.871 MB LDB: TIME 2552.51 LOAD: AVG 0.195051 MAX 0.217827 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.875 MB LDB: TIME 2552.51 LOAD: AVG 0.195051 MAX 0.21642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.875 MB LDB: ============== END OF LOAD BALANCING =============== 2552.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2552.52 PRESSURE: 784400 -70.9546 -41.4838 265.771 -41.4837 -48.162 170.177 265.771 170.176 -284.32 GPRESSURE: 784400 -157.044 -5.24912 269.538 7.8757 59.9426 149.16 179.869 129.907 -208.046 PRESSAVG: 784400 -83.3257 -64.6805 37.9516 -64.6804 43.0197 -18.8607 37.9516 -18.8608 -6.9736 GPRESSAVG: 784400 -84.1462 -66.5685 34.642 -63.5064 44.1885 -19.0047 38.3215 -18.1197 -7.04672 TIMING: 784400 CPU: 2540.41, 0.00320688/step Wall: 2540.41, 0.00320688/step, 3.75526 hours remaining, 231.058594 MB of memory in use. ENERGY: 784400 3964.8585 20736.4040 14493.4905 246.4636 -203413.3530 2301.4461 0.0000 0.0000 52235.6582 -109435.0323 300.1990 -161670.6904 -109070.5858 299.9818 -134.4790 -101.7157 760801.9450 -15.7599 -15.6681 PRESSURE: 784600 196.012 80.3775 -104.939 80.3776 331.731 -172.985 -104.939 -172.985 205.328 GPRESSURE: 784600 230.999 -13.6505 -64.4497 35.7466 420.053 -97.0986 75.4235 -170.748 182.833 PRESSAVG: 784600 -32.9135 -12.0186 12.5182 -12.0186 21.7724 6.40157 12.5183 6.40167 2.31527 GPRESSAVG: 784600 -32.0115 -13.3241 16.4859 -13.3955 20.9119 6.93744 11.4527 7.63999 1.90851 TIMING: 784600 CPU: 2541.04, 0.00313667/step Wall: 2541.04, 0.00313667/step, 3.67287 hours remaining, 231.261719 MB of memory in use. ENERGY: 784600 3941.0385 20578.5182 14481.7340 248.1353 -203489.1460 2705.1908 0.0000 0.0000 52186.6446 -109347.8846 299.9174 -161534.5292 -108982.8207 300.1063 244.3570 277.9617 760365.9505 -2.9419 -3.0637 PRESSURE: 784800 -23.6112 -170.034 -73.7641 -170.034 -36.7244 -31.5994 -73.763 -31.5999 86.1805 GPRESSURE: 784800 40.6919 -246.858 -50.029 -198.472 -9.16543 -14.0871 -45.6228 -50.5449 93.7055 PRESSAVG: 784800 15.3257 6.15426 9.11203 6.15424 71.6842 45.412 9.112 45.412 11.6514 GPRESSAVG: 784800 14.8159 6.91528 9.24769 5.22942 72.4265 43.7363 10.7922 44.484 11.2342 TIMING: 784800 CPU: 2541.66, 0.00312765/step Wall: 2541.66, 0.00312765/step, 3.66213 hours remaining, 231.261719 MB of memory in use. ENERGY: 784800 4014.8260 20558.0057 14426.3981 242.3287 -203421.4405 2562.1824 0.0000 0.0000 52435.3949 -109182.3048 301.3469 -161617.6997 -108816.8794 299.8979 8.6150 41.7440 760464.6902 32.8871 32.8256 PRESSURE: 785000 -373.843 -44.293 277.672 -44.2941 -125.018 -240.595 277.673 -240.596 -351.961 GPRESSURE: 785000 -343.507 46.2858 215.206 -115.716 -181.073 -260.344 180.534 -326.583 -228.447 PRESSAVG: 785000 -31.855 -41.3943 1.64572 -41.3943 26.1918 -21.3035 1.64566 -21.3035 14.6426 GPRESSAVG: 785000 -31.2695 -43.3728 0.31399 -39.6708 24.8024 -21.8649 0.777228 -20.9714 15.0894 TIMING: 785000 CPU: 2542.29, 0.00313315/step Wall: 2542.29, 0.00313315/step, 3.66839 hours remaining, 231.261719 MB of memory in use. ENERGY: 785000 4124.8792 20748.0106 14417.8305 242.6790 -203531.5769 2753.4202 0.0000 0.0000 51997.5906 -109247.1668 298.8309 -161244.7574 -108895.4095 300.5462 -283.6075 -251.0091 762544.6555 2.9931 2.8741 PRESSURE: 785200 97.3738 -40.8783 127.651 -40.8784 -105.394 -179.332 127.651 -179.333 405.508 GPRESSURE: 785200 59.8017 2.06935 141.532 -16.7975 6.25045 -179.739 114.01 -252.348 418.314 PRESSAVG: 785200 -10.4334 53.8438 48.6839 53.8438 22.2033 -32.2915 48.684 -32.2915 -8.44637 GPRESSAVG: 785200 -12.8087 55.962 48.1011 50.9121 23.0774 -29.3749 48.6075 -34.3522 -7.38341 TIMING: 785200 CPU: 2542.92, 0.00314065/step Wall: 2542.92, 0.00314064/step, 3.677 hours remaining, 231.261719 MB of memory in use. ENERGY: 785200 3969.6275 20562.0673 14532.2743 233.3961 -203486.4745 2615.7267 0.0000 0.0000 52173.7115 -109399.6711 299.8430 -161573.3826 -109032.4562 299.9933 132.4960 161.4554 760178.7073 1.1079 0.9617 PRESSURE: 785400 189.392 76.3742 47.3449 76.3747 -223.151 13.4343 47.3445 13.4335 -26.781 GPRESSURE: 785400 270.107 76.1588 21.9081 115.687 -218.335 -122.067 67.958 7.05655 -40.3098 PRESSAVG: 785400 56.151 -11.9178 46.4171 -11.9178 -9.36238 13.9492 46.4172 13.9492 2.8562 GPRESSAVG: 785400 57.369 -11.9398 45.514 -9.94518 -9.37823 11.9713 47.7945 16.1611 1.18166 TIMING: 785400 CPU: 2543.54, 0.00312562/step Wall: 2543.54, 0.00312562/step, 3.65924 hours remaining, 231.261719 MB of memory in use. ENERGY: 785400 4004.6578 20546.1395 14494.6131 252.6919 -203485.5248 2586.4134 0.0000 0.0000 51972.4342 -109628.5748 298.6863 -161601.0090 -109262.6582 299.5216 -20.1798 3.8205 759591.4527 16.5483 16.3908 PRESSURE: 785600 -194.057 -158.475 95.4802 -158.476 39.3404 112.263 95.4814 112.265 50.3943 GPRESSURE: 785600 -150.787 -75.9225 169.126 -91.375 67.3588 74.9042 124.992 61.4388 68.2652 PRESSAVG: 785600 2.78303 -37.1748 29.5331 -37.1749 7.99852 9.77833 29.5331 9.77825 -11.9502 GPRESSAVG: 785600 4.01725 -37.7931 32.8572 -37.9128 6.49619 10.933 27.1393 8.73484 -11.8312 TIMING: 785600 CPU: 2544.17, 0.00312092/step Wall: 2544.17, 0.00312092/step, 3.65356 hours remaining, 231.261719 MB of memory in use. ENERGY: 785600 4034.4946 20530.0820 14498.9864 245.6446 -203154.4114 2239.6718 0.0000 0.0000 51892.4225 -109713.1095 298.2265 -161605.5320 -109357.3030 299.0809 -34.7742 -5.0544 760878.1169 -0.3895 -0.4392 PRESSURE: 785800 -70.3724 -156.921 125.41 -156.92 130.953 -243.291 125.411 -243.291 202.025 GPRESSURE: 785800 -13.6139 -96.5138 84.3382 -25.632 121.24 -266.263 36.0609 -247.67 259.353 PRESSAVG: 785800 -7.22952 -85.3432 70.9108 -85.3432 -19.7585 -17.514 70.9108 -17.5139 0.138427 GPRESSAVG: 785800 -6.49053 -82.7411 67.8135 -85.5133 -20.4166 -17.6276 74.6769 -18.3169 0.642554 TIMING: 785800 CPU: 2544.8, 0.00313505/step Wall: 2544.8, 0.00313505/step, 3.66992 hours remaining, 231.261719 MB of memory in use. ENERGY: 785800 3995.4885 20620.1501 14431.6166 254.8208 -203565.1424 2658.2188 0.0000 0.0000 52111.4321 -109493.4155 299.4851 -161604.8476 -109138.5555 299.4153 87.5351 122.3262 761554.6440 -8.9499 -8.7549 PRESSURE: 786000 121.658 -61.2338 19.6322 -61.234 113.606 15.158 19.6319 15.1588 325.016 GPRESSURE: 786000 237.33 -87.6368 17.1445 -70.7157 106.417 -91.9135 -31.4948 134.671 323.794 PRESSAVG: 786000 -31.0697 -52.9122 42.7173 -52.9122 31.095 -15.4349 42.7173 -15.4349 18.3123 GPRESSAVG: 786000 -32.1917 -54.7691 41.5375 -53.8407 31.8291 -13.6563 41.1269 -14.4703 18.4392 TIMING: 786000 CPU: 2545.42, 0.0031339/step Wall: 2545.42, 0.0031339/step, 3.6684 hours remaining, 231.261719 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: 786000 3927.9220 20392.4448 14489.5348 265.9530 -203282.7143 2490.1986 0.0000 0.0000 52131.0856 -109585.5754 299.5981 -161716.6610 -109230.6341 299.6329 186.7600 222.5135 760042.1855 6.1125 6.0255 PRESSURE: 786200 -137.506 178.355 182.105 178.355 -49.7873 -161.642 182.105 -161.642 81.497 GPRESSURE: 786200 -103.619 75.0989 241.682 59.2304 -47.4873 -173.954 119.882 -149.579 140.593 PRESSAVG: 786200 12.2841 -44.5436 -11.4803 -44.5437 -2.18845 43.4941 -11.4804 43.4942 -23.9314 GPRESSAVG: 786200 13.3946 -44.5966 -10.3203 -43.8793 -4.17058 40.8521 -12.6897 43.9083 -23.1588 TIMING: 786200 CPU: 2546.05, 0.00314253/step Wall: 2546.05, 0.00314253/step, 3.67833 hours remaining, 231.261719 MB of memory in use. ENERGY: 786200 3876.8113 20578.2445 14437.1850 244.9243 -203300.6716 2435.2709 0.0000 0.0000 51989.1284 -109739.1073 298.7822 -161728.2357 -109373.5157 299.0331 -35.2655 -3.5043 760544.7214 -4.6119 -4.6449 PRESSURE: 786400 58.5159 -435.558 45.4287 -435.558 223.746 51.7097 45.4282 51.7102 39.0204 GPRESSURE: 786400 176.386 -323.013 130.822 -418.213 249.7 90.8439 58.2703 -39.0333 -6.14046 PRESSAVG: 786400 11.6715 -36.289 23.9113 -36.289 -29.0871 34.1691 23.9112 34.1691 26.8541 GPRESSAVG: 786400 10.8683 -35.3727 24.5768 -36.5789 -25.993 36.5623 25.9463 31.5708 24.5336 TIMING: 786400 CPU: 2546.68, 0.00312801/step Wall: 2546.68, 0.00312801/step, 3.66116 hours remaining, 231.261719 MB of memory in use. ENERGY: 786400 4065.3928 20572.9624 14474.1997 242.0253 -203704.8085 2735.4171 0.0000 0.0000 51783.5237 -109831.2875 297.6006 -161614.8112 -109486.4178 298.9089 107.0942 139.9820 759899.3985 3.1462 3.1363 PRESSURE: 786600 -76.7452 -36.582 -40.7434 -36.583 -4.14252 84.6923 -40.743 84.6921 -312.921 GPRESSURE: 786600 -139.03 -24.9513 -93.8482 -68.6773 -32.3397 50.7428 96.5953 236.966 -150.072 PRESSAVG: 786600 -19.9382 -48.7113 8.15196 -48.7114 22.2711 93.7091 8.15197 93.7091 12.5976 GPRESSAVG: 786600 -20.7993 -49.8044 7.90367 -47.9509 20.9631 91.6917 6.26242 95.5761 14.8228 TIMING: 786600 CPU: 2547.31, 0.00316303/step Wall: 2547.31, 0.00316303/step, 3.70197 hours remaining, 231.261719 MB of memory in use. ENERGY: 786600 4060.9071 20462.4641 14448.1658 266.2493 -203597.7869 2498.3011 0.0000 0.0000 51899.1618 -109962.5377 298.2652 -161861.6996 -109600.7820 298.9214 -131.2695 -107.1475 760155.6269 4.9768 4.9955 PRESSURE: 786800 82.9158 -15.6736 75.7448 -15.6741 450.713 -329.923 75.744 -329.924 31.4881 GPRESSURE: 786800 135.909 59.7925 -36.6133 -157.155 453.181 -327.707 108.504 -264.266 73.5174 PRESSAVG: 786800 -13.7916 1.18417 -22.6912 1.18414 10.0591 36.9279 -22.6912 36.9278 37.676 GPRESSAVG: 786800 -13.3948 2.33971 -22.9148 1.81466 10.3307 37.2001 -20.0094 36.926 36.693 TIMING: 786800 CPU: 2547.94, 0.00314926/step Wall: 2547.94, 0.00314926/step, 3.68568 hours remaining, 231.261719 MB of memory in use. ENERGY: 786800 3999.3744 20342.3659 14439.9989 248.9260 -203608.6551 2558.1355 0.0000 0.0000 51924.8201 -110095.0343 298.4127 -162019.8544 -109722.4829 298.3817 188.3723 220.8691 757986.5223 11.3145 11.2097 PRESSURE: 787000 -39.5645 -7.93842 467.666 -7.93846 -205.434 161.825 467.665 161.825 242.279 GPRESSURE: 787000 -6.89796 -84.8589 378.921 82.9084 -92.0032 166.762 324.498 145.693 193.77 PRESSAVG: 787000 49.6234 -23.2489 32.1619 -23.2489 -14.9305 77.1424 32.1619 77.1424 5.95057 GPRESSAVG: 787000 49.593 -23.7778 32.8796 -24.4325 -14.8875 77.239 30.5292 77.7117 5.64079 TIMING: 787000 CPU: 2548.57, 0.0031456/step Wall: 2548.57, 0.0031456/step, 3.68122 hours remaining, 231.261719 MB of memory in use. ENERGY: 787000 3920.8167 20514.5362 14452.7744 236.4665 -203376.3006 2265.1334 0.0000 0.0000 52022.2756 -109964.2978 298.9727 -161986.5734 -109591.2611 298.5055 -0.9067 31.6228 757729.0159 13.5478 13.4488 PRESSURE: 787200 -148.144 -10.6481 -73.5197 -10.6493 -339.379 -3.19914 -73.5191 -3.1998 -321.591 GPRESSURE: 787200 -72.7086 -47.9881 -55.3182 -12.5041 -381.924 -70.1562 -49.7049 -19.9051 -269.961 PRESSAVG: 787200 -39.4014 6.43925 39.1836 6.43925 -7.61822 21.3775 39.1835 21.3776 5.59198 GPRESSAVG: 787200 -40.7062 6.47911 39.3948 5.79811 -6.71177 19.182 40.077 21.6081 5.08583 TIMING: 787200 CPU: 2549.2, 0.00314466/step Wall: 2549.2, 0.00314466/step, 3.67995 hours remaining, 231.261719 MB of memory in use. ENERGY: 787200 3960.0580 20434.9600 14409.7129 233.2553 -203301.6144 2358.0020 0.0000 0.0000 52070.7459 -109834.8804 299.2513 -161905.6263 -109469.8615 298.6724 -269.7049 -241.5314 758377.7170 -13.8092 -14.1107 PRESSURE: 787400 101.773 -219.131 -226.041 -219.131 -41.1186 17.688 -226.042 17.6883 -46.2701 GPRESSURE: 787400 74.9246 -172.524 -146.775 -201.207 17.085 8.3769 -136.922 -26.1569 5.95621 PRESSAVG: 787400 -28.6906 -28.2851 42.5887 -28.2851 31.1313 50.5874 42.5887 50.5875 12.1997 GPRESSAVG: 787400 -27.6723 -26.7879 41.1773 -27.855 29.2899 52.5337 43.4141 48.405 13.5399 TIMING: 787400 CPU: 2549.82, 0.00313743/step Wall: 2549.82, 0.00313743/step, 3.67132 hours remaining, 231.261719 MB of memory in use. ENERGY: 787400 3988.6178 20536.9639 14475.4313 235.9020 -203434.9772 2296.1611 0.0000 0.0000 52102.1400 -109799.7612 299.4317 -161901.9012 -109445.8173 298.7820 4.7949 32.6553 758088.1675 4.8801 5.0525 PRESSURE: 787600 -226.982 -189.553 98.1756 -189.553 -22.2877 90.7641 98.1756 90.764 13.0413 GPRESSURE: 787600 -217.116 -139.201 1.94516 -144.688 47.9344 75.8477 100.588 118.396 6.64663 PRESSAVG: 787600 -30.2647 -1.73386 40.2833 -1.73387 4.15968 79.0017 40.2833 79.0017 -2.12642 GPRESSAVG: 787600 -31.5124 -2.52091 39.4666 -0.242879 5.87183 79.6888 39.4667 78.092 -3.26255 TIMING: 787600 CPU: 2550.45, 0.00314795/step Wall: 2550.45, 0.00314795/step, 3.68346 hours remaining, 231.261719 MB of memory in use. ENERGY: 787600 3988.6144 20575.1553 14476.9959 245.4973 -203321.2220 2414.0281 0.0000 0.0000 51894.1164 -109726.8146 298.2362 -161620.9310 -109381.6554 298.7921 -78.7429 -54.1783 760762.5359 -9.4105 -9.6344 PRESSURE: 787800 107.802 -104.557 148.177 -104.557 9.87478 302.74 148.177 302.739 215.992 GPRESSURE: 787800 207.407 -7.68123 184.988 -78.4027 -4.682 286.267 122.149 281.988 221.087 PRESSAVG: 787800 17.3053 -25.8393 -3.78039 -25.8392 -37.6282 46.5459 -3.7804 46.546 -2.13498 GPRESSAVG: 787800 18.8374 -26.4232 -1.58872 -25.7683 -38.6355 46.9208 -5.80476 48.1809 -2.64826 TIMING: 787800 CPU: 2551.08, 0.00314294/step Wall: 2551.08, 0.00314294/step, 3.67741 hours remaining, 231.261719 MB of memory in use. ENERGY: 787800 3914.1348 20345.5436 14541.0706 232.5944 -203124.1160 2415.6350 0.0000 0.0000 51876.7529 -109798.3847 298.1364 -161675.1376 -109434.0447 299.0749 111.2227 141.2705 760402.2539 -7.4859 -7.4821 PRESSURE: 788000 -299.072 -24.8028 20.0353 -24.8036 -39.5521 -317.425 20.0348 -317.424 143.931 GPRESSURE: 788000 -260.324 27.8784 0.0464465 -100.368 94.9936 -355.008 -33.9066 -259.694 49.4354 PRESSAVG: 788000 32.6932 -45.6567 -17.2531 -45.6567 -36.8987 32.5552 -17.253 32.5551 -6.49571 GPRESSAVG: 788000 32.3955 -44.859 -18.386 -47.9322 -36.7424 31.2009 -14.5886 33.9759 -7.06499 TIMING: 788000 CPU: 2551.71, 0.00313372/step Wall: 2551.71, 0.00313372/step, 3.66646 hours remaining, 231.261719 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: 788000 3955.9933 20516.2923 14484.2120 236.0059 -203341.9316 2571.8708 0.0000 0.0000 51757.0267 -109820.5306 297.4483 -161577.5573 -109465.2192 298.0880 -64.8975 -38.6315 761221.2263 -3.5671 -3.8040 PRESSURE: 788200 -133.407 110.987 73.5149 110.988 114.537 29.7828 73.5152 29.7831 124.885 GPRESSURE: 788200 18.7711 114.068 139.404 96.2378 83.6567 50.5167 -20.0646 -40.9246 83.2664 PRESSAVG: 788200 0.398676 -43.7365 83.959 -43.7365 -49.8117 -13.2051 83.959 -13.2049 3.67256 GPRESSAVG: 788200 0.235998 -46.0549 85.55 -42.7325 -49.615 -11.2441 82.201 -16.6219 4.10575 TIMING: 788200 CPU: 2552.33, 0.00312601/step Wall: 2552.33, 0.00312601/step, 3.65726 hours remaining, 231.261719 MB of memory in use. ENERGY: 788200 3952.0120 20522.3933 14486.1193 230.4527 -203217.0173 2217.6864 0.0000 0.0000 52077.8344 -109730.5191 299.2920 -161808.3536 -109369.7066 298.3345 35.3384 61.8980 760584.3357 -15.2468 -15.0911 LDB: ============= START OF LOAD BALANCING ============== 2564.75 LDB: ============== END OF LOAD BALANCING =============== 2564.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2564.76 LDB: ============= START OF LOAD BALANCING ============== 2565.07 LDB: Largest compute 7073 load 0.034082 is 17.5% of average load 0.195164 LDB: Average compute 0.004406 is 2.3% of average load 0.195164 LDB: TIME 2565.07 LOAD: AVG 0.195164 MAX 0.213715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.371 MB LDB: TIME 2565.07 LOAD: AVG 0.195164 MAX 0.213715 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.574 MB LDB: TIME 2565.07 LOAD: AVG 0.195164 MAX 0.213715 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.574 MB LDB: ============== END OF LOAD BALANCING =============== 2565.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2565.08 PRESSURE: 788400 -117.059 -127.05 -94.2926 -127.05 213.986 -135.73 -94.2929 -135.73 -346.264 GPRESSURE: 788400 -3.99496 -110.991 -106.778 -120.933 156.513 -118.337 -162.802 -117.337 -320.728 PRESSAVG: 788400 -13.4752 -29.7712 18.9432 -29.7712 6.58055 -45.1584 18.9432 -45.1584 -30.6333 GPRESSAVG: 788400 -13.2812 -28.7823 18.389 -26.5715 6.27296 -47.375 19.3364 -43.5694 -30.3097 TIMING: 788400 CPU: 2552.97, 0.00319173/step Wall: 2552.97, 0.00319173/step, 3.73397 hours remaining, 231.316406 MB of memory in use. ENERGY: 788400 3985.8165 20545.3587 14521.6513 266.2799 -203836.3973 2631.7021 0.0000 0.0000 52187.7793 -109697.8096 299.9239 -161885.5889 -109340.1667 298.7921 -83.1126 -56.0700 759592.2060 -12.5093 -12.4393 PRESSURE: 788600 -149.485 38.2521 -37.9086 38.2521 58.3184 1.37168 -37.9089 1.37151 -66.3646 GPRESSURE: 788600 -41.2652 160.525 -106.881 47.2963 32.143 -20.2174 -25.8946 50.846 -49.5114 PRESSAVG: 788600 -17.2023 8.84694 -78.4021 8.84697 22.9466 -37.9037 -78.402 -37.9037 17.25 GPRESSAVG: 788600 -17.2087 8.44296 -78.3201 6.36251 20.8146 -37.2232 -78.2311 -36.8727 19.286 TIMING: 788600 CPU: 2553.6, 0.00312696/step Wall: 2553.6, 0.00312696/step, 3.65803 hours remaining, 231.515625 MB of memory in use. ENERGY: 788600 3974.2448 20490.8640 14472.5971 253.1205 -203415.2233 2498.6263 0.0000 0.0000 51941.5073 -109784.2633 298.5086 -161725.7706 -109434.5017 298.9093 -52.5105 -19.5445 760847.9442 7.6648 7.6306 PRESSURE: 788800 -61.7918 126.475 24.4574 126.475 3.02255 -34.245 24.4579 -34.2453 -275.784 GPRESSURE: 788800 -36.4077 62.9099 0.87703 97.0657 43.8735 -88.2813 100.779 66.31 -254.012 PRESSAVG: 788800 -38.6702 25.2886 42.0865 25.2885 56.766 50.7665 42.0865 50.7664 -12.8664 GPRESSAVG: 788800 -38.9515 26.3869 41.2438 25.2829 58.2756 50.942 41.5112 51.1546 -13.5108 TIMING: 788800 CPU: 2554.23, 0.00313981/step Wall: 2554.23, 0.00313981/step, 3.67288 hours remaining, 231.515625 MB of memory in use. ENERGY: 788800 3910.6136 20365.8568 14448.0749 241.9459 -203074.7807 2246.8668 0.0000 0.0000 52143.4703 -109717.9525 299.6692 -161861.4228 -109348.7843 298.9105 -111.5177 -82.1821 761732.6347 1.7431 1.9377 PRESSURE: 789000 -190.339 -0.423746 -49.544 -0.423898 -37.5844 36.4142 -49.543 36.4164 204.013 GPRESSURE: 789000 -55.8091 -19.9994 24.0684 52.2461 -67.993 -7.00311 -83.9671 177.569 182.816 PRESSAVG: 789000 -20.7591 55.6425 45.205 55.6424 1.70466 13.2234 45.205 13.2233 21.1363 GPRESSAVG: 789000 -19.7357 55.4898 44.9718 54.476 1.43838 11.6925 46.1565 14.535 20.5891 TIMING: 789000 CPU: 2554.86, 0.00314985/step Wall: 2554.86, 0.00314985/step, 3.68445 hours remaining, 231.515625 MB of memory in use. ENERGY: 789000 3964.1951 20487.0210 14492.1944 242.5427 -203274.8474 2354.8000 0.0000 0.0000 51905.5010 -109828.5934 298.3016 -161734.0944 -109459.1712 298.5293 -7.9699 19.6712 761940.8675 0.6940 0.7639 PRESSURE: 789200 331.293 -41.2529 40.0023 -41.2532 354.79 -90.9287 40.0021 -90.9286 705.665 GPRESSURE: 789200 473.995 -117.61 -14.4921 40.8337 226.496 -172.549 64.4363 -198.868 790.637 PRESSAVG: 789200 22.0209 22.432 -6.39728 22.432 -0.426682 8.78146 -6.39726 8.78147 4.64232 GPRESSAVG: 789200 21.0085 19.0814 -5.21412 25.4426 -0.925367 9.73515 -6.71458 7.75836 6.08175 TIMING: 789200 CPU: 2555.49, 0.0031449/step Wall: 2555.49, 0.0031449/step, 3.67849 hours remaining, 231.515625 MB of memory in use. ENERGY: 789200 3990.6860 20355.9209 14470.6879 232.0658 -203543.2336 2670.2368 0.0000 0.0000 51919.4495 -109904.1867 298.3818 -161823.6362 -109549.4161 298.8042 463.9158 497.0425 759476.1302 8.7455 8.7216 PRESSURE: 789400 25.7417 170.476 20.5036 170.476 -442.789 67.4308 20.5036 67.4307 -378.507 GPRESSURE: 789400 9.04972 195.662 13.5303 108.663 -362.589 76.4749 -132.785 89.9578 -328.315 PRESSAVG: 789400 -10.9804 -23.1489 8.14466 -23.1489 -37.0421 4.72329 8.14466 4.72325 -1.03088 GPRESSAVG: 789400 -11.4044 -20.5445 7.49753 -24.2106 -36.3298 5.05523 9.08168 3.58178 -1.32761 TIMING: 789400 CPU: 2556.12, 0.00317571/step Wall: 2556.12, 0.00317571/step, 3.71434 hours remaining, 231.515625 MB of memory in use. ENERGY: 789400 3971.6646 20417.4337 14473.4921 266.0255 -203180.6200 2122.6107 0.0000 0.0000 51874.5857 -110054.8078 298.1240 -161929.3935 -109692.2090 298.4833 -265.1848 -227.2848 759813.5093 -16.3511 -16.3540 PRESSURE: 789600 -6.63496 219.085 94.2238 219.085 -163.635 -19.2111 94.2229 -19.2111 280.991 GPRESSURE: 789600 8.43529 308.935 159.907 108.107 -73.855 13.0763 74.2818 41.7567 260.432 PRESSAVG: 789600 -23.6534 48.5922 25.8268 48.5921 -17.7554 -42.2215 25.8268 -42.2215 10.1965 GPRESSAVG: 789600 -22.0527 50.8638 24.5682 47.4458 -17.6458 -40.6434 25.4487 -42.9521 8.18793 TIMING: 789600 CPU: 2556.75, 0.00315788/step Wall: 2556.75, 0.00315788/step, 3.69332 hours remaining, 231.515625 MB of memory in use. ENERGY: 789600 4000.8073 20326.8622 14529.2666 260.6279 -203719.6792 2599.7592 0.0000 0.0000 51958.5161 -110043.8399 298.6063 -162002.3559 -109670.9218 298.1470 36.9071 65.0041 758874.5203 -10.4041 -10.5035 PRESSURE: 789800 -235.212 42.862 -116.428 42.862 375.094 -10.407 -116.427 -10.4084 93.2515 GPRESSURE: 789800 -81.9794 -57.9394 -112.739 163.63 235.941 103.883 -13.4496 98.4019 139.282 PRESSAVG: 789800 -24.5521 61.9966 4.95492 61.9967 44.0856 14.286 4.95489 14.286 -19.1181 GPRESSAVG: 789800 -25.1843 59.5483 5.77506 63.5229 43.2717 12.5377 5.97868 15.8672 -17.5525 TIMING: 789800 CPU: 2557.39, 0.0032025/step Wall: 2557.39, 0.0032025/step, 3.74532 hours remaining, 231.515625 MB of memory in use. ENERGY: 789800 4034.8772 20554.8142 14489.9131 234.9186 -203437.1208 2487.4583 0.0000 0.0000 51788.8595 -109846.2798 297.6313 -161635.1393 -109497.5569 298.6867 77.7109 97.7479 759626.9068 0.1385 0.1783 PRESSURE: 790000 47.2292 -131.772 89.6877 -131.773 5.13228 -83.4129 89.6877 -83.4137 226.677 GPRESSURE: 790000 79.5278 -69.2121 47.3899 72.4911 93.874 -54.7454 112.812 -51.0065 203.007 PRESSAVG: 790000 -0.00840121 7.65593 -5.61579 7.65592 -27.0352 23.3424 -5.61576 23.3424 15.6735 GPRESSAVG: 790000 0.197496 6.89947 -5.73191 6.1278 -25.6099 21.8887 -6.65937 25.4659 14.4088 TIMING: 790000 CPU: 2558.03, 0.00316441/step Wall: 2558.03, 0.00316441/step, 3.7006 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 790000 3950.9778 20338.6667 14417.2540 248.0020 -203343.5022 2568.3738 0.0000 0.0000 51851.3931 -109968.8349 297.9907 -161820.2279 -109599.3743 298.5100 93.0128 125.4697 761398.7106 -3.7900 -3.6679 PRESSURE: 790200 -272.719 77.882 -170.152 77.8817 -310.359 -112.393 -170.152 -112.394 -170.651 GPRESSURE: 790200 -176.967 25.5603 -115.13 101.619 -325.234 -184.199 -73.6242 -171.759 -139.879 PRESSAVG: 790200 -16.2684 -12.5195 1.60813 -12.5194 27.8658 -5.51789 1.60822 -5.51787 -1.41649 GPRESSAVG: 790200 -16.6959 -13.5532 3.61138 -10.5505 26.2851 -4.0921 2.19666 -8.15484 0.00546857 TIMING: 790200 CPU: 2558.66, 0.00315935/step Wall: 2558.66, 0.00315935/step, 3.69451 hours remaining, 231.515625 MB of memory in use. ENERGY: 790200 3977.7952 20448.1332 14469.6236 236.4296 -204015.5975 2681.8006 0.0000 0.0000 52136.4676 -110065.3477 299.6290 -162201.8153 -109705.1584 298.4155 -251.2430 -214.0267 761611.0792 3.3936 3.1982 PRESSURE: 790400 200.062 -43.9192 -38.2108 -43.9202 -213.215 -31.0864 -38.2106 -31.0859 -125.793 GPRESSURE: 790400 135.311 -44.2914 -85.6052 -58.3098 -120.791 -63.2795 -43.1178 55.8595 -74.8575 PRESSAVG: 790400 24.9637 -54.4338 -71.5617 -54.4338 -21.2701 -7.24214 -71.5618 -7.24221 -7.01616 GPRESSAVG: 790400 24.9289 -51.7897 -71.4034 -56.2131 -20.7286 -6.01122 -73.3348 -7.31946 -7.4655 TIMING: 790400 CPU: 2559.29, 0.0031666/step Wall: 2559.29, 0.0031666/step, 3.70281 hours remaining, 231.515625 MB of memory in use. ENERGY: 790400 4057.6633 20385.4639 14437.1324 255.0744 -203987.4236 2875.3325 0.0000 0.0000 51932.3186 -110044.4385 298.4557 -161976.7571 -109685.2083 298.6122 -46.3154 -20.1125 760903.9601 -1.1075 -1.0884 PRESSURE: 790600 -133.089 17.0735 182.407 17.0732 -266.282 130.435 182.407 130.436 -223.915 GPRESSURE: 790600 -145.345 6.77129 198.173 99.8457 -185.017 109.095 162.726 114.812 -187.151 PRESSAVG: 790600 24.8915 -10.2151 19.7078 -10.2152 -40.7987 19.0669 19.7079 19.0669 21.9981 GPRESSAVG: 790600 25.0354 -10.0662 18.8835 -11.877 -41.3376 19.0643 20.3986 19.4391 22.7864 TIMING: 790600 CPU: 2559.93, 0.00317463/step Wall: 2559.93, 0.00317463/step, 3.71203 hours remaining, 231.515625 MB of memory in use. ENERGY: 790600 4059.8681 20433.5636 14441.3636 234.2844 -203882.3225 2727.5791 0.0000 0.0000 51744.6464 -110241.0173 297.3772 -161985.6637 -109881.0763 298.3442 -207.7621 -172.5044 760990.9195 2.0303 2.1614 PRESSURE: 790800 -11.6315 136.377 91.5643 136.377 -117.267 7.75634 91.5642 7.75668 -198.376 GPRESSURE: 790800 30.8752 -1.25472 144.828 65.6756 -167.686 -112.103 -4.21898 -31.9567 -107.77 PRESSAVG: 790800 34.4979 -53.8003 26.4837 -53.8002 -25.6784 -33.6184 26.4837 -33.6185 9.3215 GPRESSAVG: 790800 33.4635 -54.066 26.5971 -53.9544 -23.7436 -33.9187 26.9364 -34.8473 8.96697 TIMING: 790800 CPU: 2560.56, 0.00315046/step Wall: 2560.56, 0.00315046/step, 3.68359 hours remaining, 231.515625 MB of memory in use. ENERGY: 790800 4033.2553 20437.3629 14361.0208 243.1721 -203621.1491 2480.7689 0.0000 0.0000 51936.5327 -110129.0363 298.4800 -162065.5690 -109769.4281 297.9060 -109.0913 -81.5269 761064.7484 6.0470 6.2290 PRESSURE: 791000 18.5391 215.535 -34.0602 215.536 233.044 -18.361 -34.0607 -18.3608 -266.425 GPRESSURE: 791000 35.2806 214.563 -7.27805 245.971 192.651 -37.4326 -71.7886 91.762 -160.217 PRESSAVG: 791000 51.9537 -12.9617 -23.4851 -12.9617 -58.3855 3.28477 -23.4851 3.28477 10.5266 GPRESSAVG: 791000 52.5126 -12.2041 -22.7109 -12.7036 -59.934 2.59727 -23.1729 5.10121 10.7273 TIMING: 791000 CPU: 2561.19, 0.00317812/step Wall: 2561.19, 0.00317812/step, 3.71576 hours remaining, 231.515625 MB of memory in use. ENERGY: 791000 3951.6481 20563.3582 14457.5006 217.8653 -203904.9351 2793.3970 0.0000 0.0000 51873.6854 -110047.4805 298.1188 -161921.1658 -109678.3992 298.2922 -4.9474 22.5717 758825.5265 1.3649 1.1020 PRESSURE: 791200 117.237 -91.2069 135.228 -91.2072 355.482 -61.8102 135.229 -61.8085 151.033 GPRESSURE: 791200 156.772 -89.6347 59.1247 14.7836 393.767 -5.99917 183.953 -47.246 176.59 PRESSAVG: 791200 50.7838 -55.564 7.12282 -55.564 5.55883 21.194 7.12283 21.194 -16.7907 GPRESSAVG: 791200 49.9539 -56.3699 6.13785 -54.8758 6.25243 21.0788 6.53361 21.8336 -15.9655 TIMING: 791200 CPU: 2561.82, 0.003158/step Wall: 2561.82, 0.003158/step, 3.69205 hours remaining, 231.515625 MB of memory in use. ENERGY: 791200 3946.7785 20536.8211 14427.0536 255.6285 -203938.4800 2756.3450 0.0000 0.0000 51852.1767 -110163.6765 297.9952 -162015.8532 -109792.1507 298.4547 207.9174 242.3762 758289.6141 13.1840 13.4136 PRESSURE: 791400 -379.549 78.8764 26.7221 78.8761 -440.252 4.37039 26.7218 4.37008 -30.729 GPRESSURE: 791400 -289.524 -11.4767 71.0118 33.2553 -443.54 54.7964 -23.6973 -127.809 -25.2164 PRESSAVG: 791400 -43.5817 -28.1672 25.5811 -28.1672 26.6229 7.80937 25.581 7.80939 -4.53632 GPRESSAVG: 791400 -43.9986 -27.2626 26.046 -28.2709 27.2239 8.14237 25.5818 6.25885 -4.77406 TIMING: 791400 CPU: 2562.45, 0.00314281/step Wall: 2562.45, 0.00314281/step, 3.67412 hours remaining, 231.515625 MB of memory in use. ENERGY: 791400 3994.2772 20381.8746 14504.9059 244.5169 -203713.7201 2482.5174 0.0000 0.0000 51999.6205 -110106.0077 298.8425 -162105.6281 -109749.6022 297.7053 -283.5102 -252.7601 760622.2755 -7.1650 -7.1829 PRESSURE: 791600 113.607 -196.261 28.5283 -196.263 123.233 -35.6664 28.528 -35.6653 1.14491 GPRESSURE: 791600 133.546 -139.839 30.8305 -78.8179 168.048 -100.405 4.32155 -3.55181 19.0377 PRESSAVG: 791600 -8.38477 -30.52 5.71462 -30.5199 21.5242 -12.9171 5.71456 -12.9171 -11.4633 GPRESSAVG: 791600 -7.47552 -30.5055 6.69282 -29.4786 20.006 -14.9729 5.13257 -11.1763 -10.7707 TIMING: 791600 CPU: 2563.08, 0.00313485/step Wall: 2563.08, 0.00313485/step, 3.66464 hours remaining, 231.515625 MB of memory in use. ENERGY: 791600 3897.8031 20712.3181 14493.3815 239.0972 -203701.5247 2657.0597 0.0000 0.0000 51618.8523 -110083.0130 296.6543 -161701.8652 -109724.7937 298.2136 79.3283 106.8772 760551.9543 0.5587 0.5866 PRESSURE: 791800 64.4636 69.48 83.6287 69.4806 -65.2362 316.413 83.6292 316.413 104.287 GPRESSURE: 791800 113.104 134.824 45.0175 10.6293 -79.8945 313.091 9.27887 326.209 181.671 PRESSAVG: 791800 57.4889 -55.7239 0.548241 -55.7239 -14.9713 19.0266 0.548187 19.0265 7.71442 GPRESSAVG: 791800 57.5923 -54.9976 -0.904603 -57.0718 -13.7835 21.3548 2.64883 15.1136 6.96122 TIMING: 791800 CPU: 2563.71, 0.00314332/step Wall: 2563.71, 0.00314332/step, 3.67437 hours remaining, 231.515625 MB of memory in use. ENERGY: 791800 4043.6792 20470.1998 14478.4378 237.5228 -204073.3020 2730.5907 0.0000 0.0000 52178.0144 -109934.8574 299.8678 -162112.8718 -109585.5017 298.8061 34.5049 71.6266 758769.0230 16.7440 16.9234 PRESSURE: 792000 -20.1138 -122.435 19.9098 -122.436 -48.4024 41.5262 19.9094 41.5258 -24.7751 GPRESSURE: 792000 10.3066 -145.339 31.745 -117.424 62.3548 38.0001 -24.1333 67.5905 -66.5033 PRESSAVG: 792000 13.2678 -15.1541 -0.0244471 -15.1541 -21.2892 -0.830737 -0.0244485 -0.830783 4.29744 GPRESSAVG: 792000 14.8563 -16.0933 0.589721 -15.8542 -21.738 -1.37273 -2.90209 2.52156 3.52243 TIMING: 792000 CPU: 2564.34, 0.00315196/step Wall: 2564.34, 0.00315196/step, 3.68429 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 792000 3878.1291 20489.7589 14458.3727 226.9306 -203730.1816 2505.7111 0.0000 0.0000 52191.9243 -109979.3548 299.9477 -162171.2791 -109614.1296 298.2505 -31.0971 2.0527 759266.1326 -1.2413 -1.1198 PRESSURE: 792200 -301.588 52.0312 -326.913 52.0317 -10.275 -51.472 -326.913 -51.4719 -186.583 GPRESSURE: 792200 -275.729 12.7809 -246.679 31.3649 -33.5292 30.9899 -268.766 -121.58 -117.166 PRESSAVG: 792200 13.0958 17.809 11.6732 17.809 -92.0769 35.8111 11.6732 35.8112 -13.5199 GPRESSAVG: 792200 11.2784 17.5618 10.9135 18.5017 -90.6346 35.2102 11.9228 34.0191 -12.8051 TIMING: 792200 CPU: 2564.97, 0.00314962/step Wall: 2564.97, 0.00314962/step, 3.68139 hours remaining, 231.515625 MB of memory in use. ENERGY: 792200 4018.2007 20656.9111 14432.1186 231.5304 -203870.8857 2459.9906 0.0000 0.0000 52187.0447 -109885.0896 299.9197 -162072.1343 -109522.7625 298.7134 -166.1487 -142.1415 758490.3353 -30.8337 -30.7204 LDB: ============= START OF LOAD BALANCING ============== 2577.39 LDB: ============== END OF LOAD BALANCING =============== 2577.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2577.39 LDB: ============= START OF LOAD BALANCING ============== 2577.71 LDB: Largest compute 7075 load 0.035482 is 18.2% of average load 0.195061 LDB: Average compute 0.004416 is 2.3% of average load 0.195061 LDB: TIME 2577.71 LOAD: AVG 0.195061 MAX 0.213376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.004 MB LDB: TIME 2577.71 LOAD: AVG 0.195061 MAX 0.213376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: TIME 2577.71 LOAD: AVG 0.195061 MAX 0.213376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.211 MB LDB: ============== END OF LOAD BALANCING =============== 2577.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2577.72 PRESSURE: 792400 -180.561 -110.113 -96.791 -110.113 -263.143 63.5485 -96.7907 63.5466 -363.269 GPRESSURE: 792400 -195.466 -50.5663 -84.5846 -95.6052 -216.518 77.6525 -148.418 110.171 -297.118 PRESSAVG: 792400 7.20471 -44.6737 -57.9512 -44.6737 38.218 44.4147 -57.9512 44.4147 9.50002 GPRESSAVG: 792400 7.87907 -46.2953 -59.1198 -43.8083 38.1324 44.5746 -55.3236 45.7547 9.33272 TIMING: 792400 CPU: 2565.61, 0.003221/step Wall: 2565.61, 0.00322099/step, 3.76463 hours remaining, 230.492188 MB of memory in use. ENERGY: 792400 4003.4595 20593.0570 14462.9741 209.3808 -203676.1269 2505.2788 0.0000 0.0000 51943.0903 -109958.8862 298.5177 -161901.9766 -109590.0226 298.7573 -268.9912 -236.3673 759638.0297 18.3076 18.4481 PRESSURE: 792600 271.577 76.9907 -212.309 76.9907 -15.732 219.397 -212.31 219.397 316.621 GPRESSURE: 792600 285.526 55.7564 -274.185 62.2655 62.7049 240.463 -233.998 146.424 294.07 PRESSAVG: 792600 49.1089 -27.1308 -35.2725 -27.1308 -65.1383 65.6625 -35.2726 65.6626 13.7248 GPRESSAVG: 792600 49.7371 -25.9563 -34.7335 -27.1391 -66.0815 67.3396 -36.8009 65.5584 14.0774 TIMING: 792600 CPU: 2566.24, 0.00314157/step Wall: 2566.24, 0.00314157/step, 3.67162 hours remaining, 230.492188 MB of memory in use. ENERGY: 792600 3981.0093 20550.5332 14501.1727 225.9566 -203496.7991 2455.8059 0.0000 0.0000 51955.0604 -109827.2610 298.5864 -161782.3214 -109462.7521 298.4962 190.8219 214.1003 759287.4896 -0.7682 -0.7557 PRESSURE: 792800 99.3361 -73.2438 -66.79 -73.244 -224.629 -120.876 -66.7901 -120.877 132.186 GPRESSURE: 792800 184.323 -139.15 -91.682 -86.0473 -164.047 -5.05272 53.3698 -118.018 81.3649 PRESSAVG: 792800 62.7927 -30.4622 -102.241 -30.4622 -53.7875 46.1209 -102.241 46.1208 -11.2999 GPRESSAVG: 792800 62.1079 -30.1843 -101.109 -31.8112 -52.4867 46.6438 -101.789 45.2358 -11.0839 TIMING: 792800 CPU: 2566.87, 0.00315502/step Wall: 2566.87, 0.00315502/step, 3.68717 hours remaining, 230.492188 MB of memory in use. ENERGY: 792800 3971.6018 20541.1981 14433.1700 251.7925 -203952.8470 2757.5858 0.0000 0.0000 51972.7689 -110024.7298 298.6882 -161997.4987 -109656.7450 298.1494 2.2976 33.8804 759262.3724 -0.7649 -0.4876 PRESSURE: 793000 -324.821 -40.2521 33.7918 -40.2528 -41.133 -18.8382 33.7926 -18.8371 -34.2292 GPRESSURE: 793000 -345.575 -85.4615 33.3414 -56.0745 5.73372 -35.1873 40.5284 -43.2178 17.7116 PRESSAVG: 793000 -15.4823 -29.9054 6.50673 -29.9055 -24.3301 -46.8653 6.50679 -46.8654 -23.646 GPRESSAVG: 793000 -16.5903 -30.965 7.62921 -30.4279 -24.829 -48.2972 5.13886 -44.4363 -22.3344 TIMING: 793000 CPU: 2567.5, 0.00315218/step Wall: 2567.5, 0.00315218/step, 3.68367 hours remaining, 230.492188 MB of memory in use. ENERGY: 793000 4088.1102 20566.4333 14445.5651 242.8878 -203549.8178 2479.0944 0.0000 0.0000 51822.5554 -109905.1716 297.8249 -161727.7270 -109553.4374 298.4994 -133.3946 -107.3765 759270.0725 -21.1528 -21.2512 PRESSURE: 793200 56.3549 -87.6067 128.819 -87.6061 -211.254 -54.2392 128.819 -54.2384 -124.872 GPRESSURE: 793200 64.6605 -151.442 215.399 -10.6095 -87.3038 22.7098 -19.9558 16.8661 -169.502 PRESSAVG: 793200 -24.7627 -29.6876 7.9676 -29.6877 11.6168 27.3566 7.96756 27.3567 -10.9824 GPRESSAVG: 793200 -22.4671 -30.1133 8.4646 -28.8376 10.9467 26.6236 8.07985 26.9996 -12.5868 TIMING: 793200 CPU: 2568.13, 0.00313205/step Wall: 2568.13, 0.00313205/step, 3.65997 hours remaining, 230.492188 MB of memory in use. ENERGY: 793200 4008.0181 20544.5289 14557.9302 259.1859 -203912.6369 2711.5984 0.0000 0.0000 51811.1052 -110020.2701 297.7591 -161831.3754 -109650.4589 299.0127 -93.2570 -64.0484 758907.4009 -8.0428 -8.0358 PRESSURE: 793400 -51.4715 -109.808 65.0443 -109.807 -306.776 -27.1467 65.0432 -27.1458 -423.898 GPRESSURE: 793400 -22.9119 -0.995879 113.754 -124.707 -239.947 -38.9315 83.2518 42.181 -423.035 PRESSAVG: 793400 24.5985 -11.5326 26.5354 -11.5326 -28.4337 5.16923 26.5353 5.16922 0.0760954 GPRESSAVG: 793400 22.8694 -11.4407 25.5076 -11.6942 -28.0384 7.51531 25.9083 3.18205 1.76945 TIMING: 793400 CPU: 2568.76, 0.00313734/step Wall: 2568.76, 0.00313734/step, 3.66599 hours remaining, 230.492188 MB of memory in use. ENERGY: 793400 4003.1230 20521.2629 14478.9665 256.7144 -203783.1503 2355.6296 0.0000 0.0000 52170.6803 -109996.7736 299.8256 -162167.4539 -109624.6412 298.5033 -260.7152 -228.6314 759783.7132 -1.2530 -1.1332 PRESSURE: 793600 -435.294 64.059 54.2247 64.0583 -432.491 385.874 54.2243 385.874 55.8221 GPRESSURE: 793600 -356.698 -41.9349 68.4025 85.0946 -298.228 276.813 -9.7746 251.642 -84.6588 PRESSAVG: 793600 28.1508 -30.848 22.0274 -30.848 -23.7525 39.0667 22.0274 39.0667 -7.78933 GPRESSAVG: 793600 28.7234 -27.4735 21.4111 -33.6136 -23.2175 38.0352 22.7202 40.0081 -9.01659 TIMING: 793600 CPU: 2569.38, 0.00313541/step Wall: 2569.38, 0.00313541/step, 3.66355 hours remaining, 230.492188 MB of memory in use. ENERGY: 793600 3990.7706 20641.6556 14465.5993 246.8548 -204006.8672 2660.2818 0.0000 0.0000 51847.6150 -110154.0902 297.9690 -162001.7052 -109792.3381 298.4859 -270.6543 -246.5284 760717.2255 -1.1304 -1.1702 PRESSURE: 793800 77.9229 -53.3185 -67.7569 -53.3194 304.775 -99.1094 -67.757 -99.1102 404.765 GPRESSURE: 793800 43.8487 -107.941 -97.1092 -35.9452 341.81 -80.6189 -30.4305 -114.327 504.525 PRESSAVG: 793800 21.623 -40.6048 -28.2542 -40.6047 -0.783106 40.6443 -28.2542 40.6442 34.9202 GPRESSAVG: 793800 21.2972 -43.2853 -27.9023 -37.0218 -0.11133 40.3491 -26.5203 39.9895 34.8249 TIMING: 793800 CPU: 2570.01, 0.00315213/step Wall: 2570.01, 0.00315213/step, 3.68291 hours remaining, 230.492188 MB of memory in use. ENERGY: 793800 3992.4943 20633.6766 14416.6802 246.6255 -204039.0063 2912.0418 0.0000 0.0000 51744.0132 -110093.4747 297.3736 -161837.4879 -109744.3080 298.2665 262.4875 296.7281 759912.1047 18.5867 18.6703 PRESSURE: 794000 -76.7192 -36.965 -282.026 -36.9651 138.927 124.347 -282.027 124.347 -47.136 GPRESSURE: 794000 -38.8736 -34.1215 -181.536 -3.49277 104.561 146.075 -243.919 121.606 20.6086 PRESSAVG: 794000 49.2908 -13.9414 -35.6227 -13.9414 -8.68871 31.9525 -35.6226 31.9525 14.3506 GPRESSAVG: 794000 49.8978 -12.0197 -34.8515 -14.4045 -10.031 30.4137 -38.2513 32.585 15.641 TIMING: 794000 CPU: 2570.64, 0.00314895/step Wall: 2570.64, 0.00314895/step, 3.67902 hours remaining, 230.492188 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: 794000 4023.8682 20415.4313 14503.6360 241.7708 -203699.9300 2580.6467 0.0000 0.0000 51644.1348 -110290.4422 296.7996 -161934.5771 -109932.0119 298.5479 5.0240 28.7652 762055.5804 18.3176 18.5026 PRESSURE: 794200 121.657 50.9938 74.4916 50.9933 408.393 -18.845 74.4913 -18.8442 -223.161 GPRESSURE: 794200 138.992 -101.696 92.4335 2.09044 422.225 17.4342 50.7718 -5.7286 -170.266 PRESSAVG: 794200 33.1655 -25.0106 40.1976 -25.0106 -39.7029 -30.6226 40.1977 -30.6226 -6.08556 GPRESSAVG: 794200 33.6904 -27.2551 41.644 -24.6218 -40.3254 -28.6948 43.2151 -30.0021 -6.20442 TIMING: 794200 CPU: 2571.27, 0.00316198/step Wall: 2571.27, 0.00316198/step, 3.69407 hours remaining, 230.492188 MB of memory in use. ENERGY: 794200 3987.7874 20342.1024 14422.7397 250.7478 -204043.9170 2895.5915 0.0000 0.0000 51981.6171 -110163.3310 298.7391 -162144.9482 -109800.7937 297.9683 102.2963 130.3170 760345.6638 -4.2077 -4.2798 PRESSURE: 794400 -57.1949 -133.117 104.211 -133.117 440.751 75.3424 104.21 75.341 251.279 GPRESSURE: 794400 31.7545 -192.888 135.771 -80.0902 392.311 8.53993 200.618 108.079 316.896 PRESSAVG: 794400 9.52723 -5.91138 -19.0831 -5.91146 -24.8565 -8.06685 -19.0831 -8.06683 21.2077 GPRESSAVG: 794400 8.95397 -4.84616 -19.5979 -5.83339 -23.8374 -8.3013 -23.9338 -8.94657 20.8957 TIMING: 794400 CPU: 2571.91, 0.00316201/step Wall: 2571.91, 0.00316201/step, 3.69392 hours remaining, 230.492188 MB of memory in use. ENERGY: 794400 3943.0985 20594.0529 14561.2592 240.7971 -204361.5852 2977.8804 0.0000 0.0000 51967.5956 -110076.9015 298.6585 -162044.4971 -109720.7064 298.5436 211.6114 246.9870 759590.7859 1.9595 2.0041 PRESSURE: 794600 252.616 39.7199 190.803 39.7193 23.379 36.2347 190.804 36.2347 -209.855 GPRESSURE: 794600 286.769 53.5885 181.297 -25.3265 73.8963 72.1595 126.93 57.7515 -216.844 PRESSAVG: 794600 58.7935 12.6615 5.79316 12.6615 -3.55572 16.6301 5.79319 16.6301 2.8824 GPRESSAVG: 794600 58.7436 14.7666 5.12719 12.779 -4.77291 18.017 8.4163 15.6711 3.72348 TIMING: 794600 CPU: 2572.54, 0.00315481/step Wall: 2572.54, 0.00315481/step, 3.68534 hours remaining, 230.492188 MB of memory in use. ENERGY: 794600 4011.5691 20629.6232 14443.1423 252.7904 -203805.4311 2578.8168 0.0000 0.0000 51926.7514 -109962.7379 298.4238 -161889.4893 -109599.3655 299.0459 22.0467 47.9406 760796.9931 19.3734 19.2314 PRESSURE: 794800 -82.9812 304.618 -31.6043 304.618 -373.534 249.733 -31.6049 249.733 -373.931 GPRESSURE: 794800 -124.941 265.222 -37.2042 207.893 -293.123 242.938 -38.7419 246.163 -307.007 PRESSAVG: 794800 37.0817 -14.132 -66.5626 -14.132 -5.71983 45.9671 -66.5626 45.9671 -9.16589 GPRESSAVG: 794800 38.0283 -14.3236 -66.1699 -15.8981 -5.43109 45.3895 -67.0187 44.9528 -10.6384 TIMING: 794800 CPU: 2573.17, 0.00318186/step Wall: 2573.17, 0.00318186/step, 3.71677 hours remaining, 230.492188 MB of memory in use. ENERGY: 794800 4047.4430 20744.0329 14509.5385 251.6369 -203479.7182 2231.3504 0.0000 0.0000 51825.7762 -109869.9401 297.8434 -161695.7163 -109504.6110 298.9211 -276.8155 -241.6905 760355.0722 7.3986 7.3196 PRESSURE: 795000 33.1758 68.9156 151.732 68.9154 36.1783 87.1633 151.733 87.1631 -6.22108 GPRESSURE: 795000 57.8023 -37.6433 187.085 47.2965 42.7214 113.265 126.627 108.033 40.273 PRESSAVG: 795000 35.531 5.10722 26.5428 5.10719 -24.9746 -1.92033 26.5428 -1.92032 -6.77204 GPRESSAVG: 795000 34.1413 3.86958 25.8858 6.59445 -23.3528 -2.9221 26.2104 -0.916647 -6.24068 TIMING: 795000 CPU: 2573.81, 0.00315635/step Wall: 2573.81, 0.00315635/step, 3.68679 hours remaining, 230.492188 MB of memory in use. ENERGY: 795000 4035.7984 20559.5008 14601.4451 255.0761 -203750.9654 2462.7272 0.0000 0.0000 52033.2335 -109803.1842 299.0357 -161836.4177 -109451.1986 298.8249 21.0443 46.9322 758910.5971 1.2614 1.5159 PRESSURE: 795200 -129.477 186.053 -281.948 186.053 -193.651 -64.166 -281.948 -64.1665 -247.079 GPRESSURE: 795200 -125.457 51.8496 -285.181 154.294 -130.744 -160.596 -282.353 43.7947 -233.785 PRESSAVG: 795200 -46.564 -4.39972 -28.6759 -4.39971 25.3105 36.5739 -28.6758 36.5738 -13.6635 GPRESSAVG: 795200 -45.8049 -6.44712 -28.8745 -5.37428 25.3818 36.7546 -29.6281 35.6254 -14.4328 TIMING: 795200 CPU: 2574.43, 0.00313436/step Wall: 2574.43, 0.00313436/step, 3.66093 hours remaining, 230.492188 MB of memory in use. ENERGY: 795200 4105.0060 20577.7158 14471.3764 272.3892 -203603.6038 2506.0456 0.0000 0.0000 51924.3734 -109746.6974 298.4101 -161671.0708 -109376.3412 299.2184 -190.0688 -163.3288 762305.6134 -11.6390 -11.6186 PRESSURE: 795400 261.328 93.5355 -73.9718 93.5362 256.409 -16.4489 -73.9723 -16.4489 -58.2727 GPRESSURE: 795400 246.607 125.008 -78.9588 -0.537973 253.395 68.8103 -29.8901 -86.5999 43.7761 PRESSAVG: 795400 -6.11456 -14.9101 -13.4225 -14.9101 10.1544 6.38493 -13.4224 6.3849 -13.5391 GPRESSAVG: 795400 -6.59322 -12.8656 -13.9361 -15.0187 9.0844 6.77143 -10.946 6.85014 -12.2823 TIMING: 795400 CPU: 2575.06, 0.00314673/step Wall: 2575.06, 0.00314673/step, 3.67521 hours remaining, 230.492188 MB of memory in use. ENERGY: 795400 3988.5645 20676.8453 14553.5073 256.7344 -203965.3982 2936.8703 0.0000 0.0000 51892.5968 -109660.2796 298.2275 -161552.8764 -109302.2235 299.6910 153.1549 181.2594 759772.9868 -3.1664 -3.2637 PRESSURE: 795600 -380.609 176.352 66.2201 176.353 -267.138 -209.496 66.2196 -209.495 -201.747 GPRESSURE: 795600 -393.516 116.835 -61.1371 229.301 -175.656 -257.479 22.4038 -291.037 -183.5 PRESSAVG: 795600 -77.5272 -49.1744 -44.0848 -49.1744 37.4134 -6.06409 -44.0848 -6.06411 18.7236 GPRESSAVG: 795600 -76.2628 -48.5609 -44.4313 -50.1368 37.785 -7.35037 -45.3122 -7.9995 17.3578 TIMING: 795600 CPU: 2575.69, 0.0031199/step Wall: 2575.69, 0.0031199/step, 3.6437 hours remaining, 230.492188 MB of memory in use. ENERGY: 795600 3910.0503 20513.6046 14481.1834 242.2899 -203359.7220 2499.1959 0.0000 0.0000 52009.9224 -109703.4755 298.9017 -161713.3979 -109346.1200 299.3519 -283.1644 -250.8908 761868.5492 -7.1301 -7.0400 PRESSURE: 795800 243.441 -19.7057 -58.9356 -19.7066 -166.714 -106.698 -58.9357 -106.699 222.993 GPRESSURE: 795800 253.631 -11.4242 -10.4268 57.6086 -77.9765 -60.6646 -41.2836 -16.8092 231.58 PRESSAVG: 795800 28.8069 -67.3336 -6.69017 -67.3336 -18.1039 -31.6423 -6.69018 -31.6423 5.12259 GPRESSAVG: 795800 28.6234 -66.4606 -4.02865 -66.8965 -18.5885 -30.5704 -6.78362 -30.7383 6.14746 TIMING: 795800 CPU: 2576.31, 0.00313209/step Wall: 2576.31, 0.00313209/step, 3.65776 hours remaining, 230.492188 MB of memory in use. ENERGY: 795800 3947.3529 20551.0977 14527.3695 248.6586 -203655.4103 2759.0619 0.0000 0.0000 51743.6146 -109878.2552 297.3713 -161621.8698 -109516.8468 299.2386 99.9068 135.7451 760725.6285 5.2752 5.3941 PRESSURE: 796000 83.127 -65.746 -184.097 -65.7462 -89.1068 -13.4168 -184.097 -13.417 -128.947 GPRESSURE: 796000 53.7256 -95.0151 -201.579 -180.775 -5.39739 -39.2702 -175.255 -74.6687 -115.54 PRESSAVG: 796000 -25.9354 -43.2927 -11.5008 -43.2927 44.451 17.7901 -11.5007 17.7901 -12.5545 GPRESSAVG: 796000 -25.4296 -45.3037 -13.7415 -42.8393 45.2878 18.6317 -11.2184 18.6017 -13.8283 TIMING: 796000 CPU: 2576.94, 0.00314423/step Wall: 2576.94, 0.00314423/step, 3.67176 hours remaining, 230.492188 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: 796000 3919.4363 20485.1759 14487.4667 223.8194 -203733.6160 2788.7219 0.0000 0.0000 52056.3580 -109772.6378 299.1686 -161828.9958 -109403.2964 299.4756 -44.9755 -22.4040 762808.7112 1.9870 2.0100 PRESSURE: 796200 -260.858 -147.651 -93.1975 -147.652 -608.174 28.6469 -93.1976 28.6474 -415.607 GPRESSURE: 796200 -326.92 -157.313 -58.6501 -107.043 -460.374 15.0418 -21.9353 91.6482 -415.887 PRESSAVG: 796200 24.9212 -20.1475 5.15412 -20.1475 -33.2902 -4.77048 5.15415 -4.77033 -29.431 GPRESSAVG: 796200 24.3082 -19.8813 5.91806 -20.5507 -33.0568 -6.55725 4.41267 -5.20754 -29.1355 TIMING: 796200 CPU: 2577.57, 0.00315259/step Wall: 2577.57, 0.00315259/step, 3.68135 hours remaining, 230.492188 MB of memory in use. ENERGY: 796200 4045.7351 20636.4843 14475.3555 232.7466 -203364.5607 2256.3410 0.0000 0.0000 51972.4102 -109745.4880 298.6862 -161717.8981 -109385.2360 298.7021 -428.2129 -401.0603 762375.6376 -12.6000 -12.6281 LDB: ============= START OF LOAD BALANCING ============== 2589.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2589.99 LDB: =============== DONE WITH MIGRATION ================ 2589.99 LDB: ============= START OF LOAD BALANCING ============== 2590.31 LDB: Largest compute 7075 load 0.035839 is 18.4% of average load 0.195088 LDB: Average compute 0.004413 is 2.3% of average load 0.195088 LDB: TIME 2590.31 LOAD: AVG 0.195088 MAX 0.213688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.5 MB LDB: TIME 2590.31 LOAD: AVG 0.195088 MAX 0.213688 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.539 MB LDB: TIME 2590.31 LOAD: AVG 0.195088 MAX 0.213688 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.539 MB LDB: ============== END OF LOAD BALANCING =============== 2590.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2590.32 PRESSURE: 796400 151 -150.243 33.5835 -150.244 282.635 30.3489 33.5833 30.3498 -105.957 GPRESSURE: 796400 245.098 -172.674 76.6067 -191.923 241.927 20.6037 -49.4192 -103.503 -65.981 PRESSAVG: 796400 1.22753 -72.7465 43.1071 -72.7465 11.0943 9.40911 43.1071 9.40923 11.9702 GPRESSAVG: 796400 2.46086 -73.818 42.4836 -70.3539 9.62707 8.71981 42.8754 9.7474 12.1922 TIMING: 796400 CPU: 2578.22, 0.00321782/step Wall: 2578.22, 0.00321782/step, 3.75734 hours remaining, 231.453125 MB of memory in use. ENERGY: 796400 4010.9175 20584.5994 14465.0462 246.6745 -203860.3007 2779.6712 0.0000 0.0000 51960.8981 -109812.4938 298.6200 -161773.3918 -109450.2711 298.5168 109.2262 140.3480 760556.3607 8.0973 8.0934 PRESSURE: 796600 -203.863 -107.161 -150.915 -107.161 282.528 -72.7356 -150.915 -72.7339 -10.2921 GPRESSURE: 796600 -41.0622 -74.1608 -117.323 -171.122 199.63 -104.147 -40.8756 26.7146 -2.48918 PRESSAVG: 796600 17.0875 -37.7665 43.819 -37.7665 20.8124 14.4896 43.8191 14.4896 21.8678 GPRESSAVG: 796600 14.2166 -37.1584 44.2881 -37.364 22.5884 12.8714 46.7317 14.8942 22.5793 TIMING: 796600 CPU: 2578.84, 0.00314485/step Wall: 2578.84, 0.00314485/step, 3.67197 hours remaining, 231.652344 MB of memory in use. ENERGY: 796600 3995.5021 20606.4509 14480.6653 260.3969 -203332.2858 2330.8402 0.0000 0.0000 51932.5035 -109725.9269 298.4568 -161658.4304 -109364.6241 298.4204 22.7911 52.0263 761177.6410 19.9225 19.7948 PRESSURE: 796800 32.1018 128.042 177.335 128.042 80.106 91.5371 177.335 91.5372 211.467 GPRESSURE: 796800 72.1073 107.644 97.6722 42.2995 96.9889 166.485 185.101 214.972 270.319 PRESSAVG: 796800 -22.1792 -22.4085 6.94784 -22.4085 51.6427 26.0446 6.94787 26.0445 -8.09228 GPRESSAVG: 796800 -21.8945 -21.3805 6.2191 -23.0483 51.1768 29.5586 6.24504 24.5358 -8.01924 TIMING: 796800 CPU: 2579.47, 0.00314726/step Wall: 2579.47, 0.00314726/step, 3.6746 hours remaining, 231.652344 MB of memory in use. ENERGY: 796800 4044.2663 20507.2485 14419.2059 248.6822 -203548.1279 2749.4511 0.0000 0.0000 51937.3061 -109641.9678 298.4844 -161579.2739 -109290.5526 298.8083 107.8915 146.4717 760391.5063 7.1237 7.0877 PRESSURE: 797000 -150.769 -112.982 205.532 -112.982 162.402 59.3508 205.531 59.3499 292.974 GPRESSURE: 797000 -80.2406 -144.027 127.648 -53.9521 193.225 51.2214 147.681 -25.3036 267.033 PRESSAVG: 797000 17.8991 27.5794 34.7967 27.5793 -4.30352 -2.29783 34.7967 -2.29777 2.22993 GPRESSAVG: 797000 18.8872 27.1204 35.0504 26.335 -5.03208 -3.23723 33.038 -2.53518 2.18255 TIMING: 797000 CPU: 2580.1, 0.00315011/step Wall: 2580.1, 0.00315011/step, 3.67776 hours remaining, 231.835938 MB of memory in use. ENERGY: 797000 3978.7987 20630.7168 14506.3379 243.2381 -203478.6079 2859.3541 0.0000 0.0000 51927.7048 -109332.4576 298.4292 -161260.1624 -108982.0574 298.8645 101.5355 126.6725 760731.8416 5.2752 5.3459 PRESSURE: 797200 -30.4604 -69.8291 162.693 -69.8295 -69.6089 -59.7889 162.693 -59.7894 18.08 GPRESSURE: 797200 58.4949 -107.105 207.608 -10.7525 -67.7842 -54.3917 142.277 -141.055 4.5244 PRESSAVG: 797200 -12.0111 -44.1807 -8.08123 -44.1807 21.3065 3.37857 -8.08121 3.37853 8.9475 GPRESSAVG: 797200 -11.8901 -44.4093 -8.21379 -43.1153 21.1424 3.6107 -7.21512 2.21202 9.11409 TIMING: 797200 CPU: 2580.74, 0.00316627/step Wall: 2580.74, 0.00316627/step, 3.69644 hours remaining, 231.835938 MB of memory in use. ENERGY: 797200 4044.1540 20434.0567 14484.3595 250.9985 -202755.9506 2257.0329 0.0000 0.0000 52211.9188 -109073.4302 300.0626 -161285.3490 -108710.2627 299.8734 -27.3298 -1.5883 761363.5918 6.0810 6.1221 PRESSURE: 797400 100.557 -39.4102 -9.65541 -39.4104 -242.369 -272.963 -9.65576 -272.963 -129.211 GPRESSURE: 797400 83.7316 -112.163 14.7456 -17.7472 -155.611 -288.939 18.9269 -63.7179 -101.322 PRESSAVG: 797400 10.8728 18.7927 42.5236 18.7928 -7.08796 31.9647 42.5236 31.9647 12.9414 GPRESSAVG: 797400 11.1549 17.5593 43.3809 18.5471 -7.41124 31.879 42.5837 32.9904 12.5137 TIMING: 797400 CPU: 2581.38, 0.00319599/step Wall: 2581.38, 0.00319599/step, 3.73096 hours remaining, 231.835938 MB of memory in use. ENERGY: 797400 4097.3926 20609.9188 14541.2983 232.4460 -203202.4783 2424.0633 0.0000 0.0000 52268.3062 -109029.0531 300.3867 -161297.3593 -108664.6076 300.4328 -90.3409 -57.7337 760771.4628 5.5754 5.4191 PRESSURE: 797600 -73.7877 -27.4242 51.4395 -27.4234 -87.7585 -26.2473 51.4398 -26.2475 378.802 GPRESSURE: 797600 -45.8014 -112.824 89.3515 -41.5782 -33.9322 -138.393 23.1836 92.3888 360.785 PRESSAVG: 797600 -23.8532 2.79775 -52.9195 2.79776 15.9748 -16.9873 -52.9194 -16.9874 0.347845 GPRESSAVG: 797600 -25.4856 3.2588 -53.0612 3.42829 17.6808 -18.8417 -53.2871 -15.3222 0.425688 TIMING: 797600 CPU: 2582.01, 0.00315431/step Wall: 2582.01, 0.00315431/step, 3.68213 hours remaining, 231.835938 MB of memory in use. ENERGY: 797600 4022.5255 20724.4282 14418.4938 247.8820 -203016.7892 2308.1470 0.0000 0.0000 52133.9633 -109161.3494 299.6146 -161295.3128 -108805.4100 300.2299 72.4186 93.6837 759908.6664 -2.5102 -2.4597 PRESSURE: 797800 -211.742 -48.0037 -80.6963 -48.004 -6.494 174.647 -80.6965 174.647 274.418 GPRESSURE: 797800 -113.847 13.0008 -39.4625 60.0484 25.1034 225.916 -32.3695 102.485 230.847 PRESSAVG: 797800 -59.8266 47.4544 29.9544 47.4544 43.1687 3.89996 29.9543 3.90008 14.9198 GPRESSAVG: 797800 -58.5854 48.4428 28.3921 47.2751 42.507 4.61485 32.1646 4.35415 14.6237 TIMING: 797800 CPU: 2582.64, 0.00314351/step Wall: 2582.64, 0.00314351/step, 3.66935 hours remaining, 231.835938 MB of memory in use. ENERGY: 797800 3965.0231 20648.7164 14496.4352 250.3328 -203357.1657 2582.5569 0.0000 0.0000 52144.6672 -109269.4342 299.6761 -161414.1013 -108919.1763 300.2387 18.7275 47.3678 761106.8200 -0.5794 -0.4849 PRESSURE: 798000 -30.9492 63.2643 -5.83111 63.264 -169.305 29.7639 -5.83136 29.7635 -21.5916 GPRESSURE: 798000 -99.2809 40.7482 -25.0438 -76.1555 -206.008 21.1753 -24.3684 -24.1314 155.774 PRESSAVG: 798000 43.6294 19.1382 4.44799 19.1382 -78.3144 33.3082 4.44801 33.3083 -0.00166623 GPRESSAVG: 798000 43.3733 21.1054 5.7007 16.8022 -78.7999 32.7748 3.74909 31.0346 0.950357 TIMING: 798000 CPU: 2583.27, 0.00318556/step Wall: 2583.27, 0.00318556/step, 3.71826 hours remaining, 232.054688 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: 798000 4055.0899 20545.9268 14529.9060 261.9346 -203069.0543 2254.9568 0.0000 0.0000 52201.4086 -109219.8316 300.0022 -161421.2402 -108852.8703 299.6170 -73.9485 -49.8382 761590.8489 -11.5622 -11.4921 PRESSURE: 798200 -327.208 68.2578 271.717 68.2572 -52.8676 -46.5648 271.717 -46.5659 -58.429 GPRESSURE: 798200 -225.758 83.6828 236.13 75.4578 -52.3259 -65.1338 190.517 -65.4382 -92.9012 PRESSAVG: 798200 10.9398 42.3326 69.9475 42.3326 17.2738 3.87306 69.9476 3.87314 -7.08492 GPRESSAVG: 798200 11.6112 41.1343 70.2956 43.4467 17.1696 3.90229 65.7415 4.20259 -7.81967 TIMING: 798200 CPU: 2583.91, 0.00316585/step Wall: 2583.91, 0.00316585/step, 3.69507 hours remaining, 232.054688 MB of memory in use. ENERGY: 798200 3959.2894 20619.7644 14460.2171 231.3530 -203030.7965 2413.6085 0.0000 0.0000 52064.5012 -109282.0629 299.2154 -161346.5641 -108913.9721 299.9240 -146.1683 -123.6618 760713.7233 7.0429 6.9870 PRESSURE: 798400 -149.564 -33.2959 -137.388 -33.2968 27.2663 -83.8038 -137.388 -83.8043 388.002 GPRESSURE: 798400 -46.3157 -69.0322 -77.1962 -100.39 64.6207 -156.616 -154.745 29.0547 351.937 PRESSAVG: 798400 -15.5687 -26.7233 -4.15869 -26.7234 28.5252 -9.81907 -4.1587 -9.81915 14.6658 GPRESSAVG: 798400 -15.5718 -28.7843 -3.01493 -25.9575 29.4089 -11.1863 -0.266078 -9.65228 14.3421 TIMING: 798400 CPU: 2584.54, 0.00315571/step Wall: 2584.54, 0.00315571/step, 3.68307 hours remaining, 232.054688 MB of memory in use. ENERGY: 798400 3984.8844 20471.7825 14541.3987 270.5188 -203615.9490 2791.5798 0.0000 0.0000 52385.0122 -109170.7726 301.0574 -161555.7848 -108813.1612 299.9776 88.5683 123.4142 760662.7763 9.2074 9.3931 PRESSURE: 798600 53.141 33.2557 192.302 33.2558 -269.994 127.822 192.301 127.823 -374.882 GPRESSURE: 798600 43.1443 -35.6153 201.318 -2.23349 -266.553 121.089 314.316 127.979 -300.739 PRESSAVG: 798600 0.359858 -47.1812 -8.77349 -47.1812 -0.377938 -13.9002 -8.77342 -13.9002 -5.65316 GPRESSAVG: 798600 -0.933497 -46.9896 -8.20122 -48.5888 -0.32621 -11.456 -9.81294 -12.9674 -4.84797 TIMING: 798600 CPU: 2585.17, 0.00314902/step Wall: 2585.17, 0.00314902/step, 3.67508 hours remaining, 232.054688 MB of memory in use. ENERGY: 798600 3977.5109 20559.1222 14546.5186 256.9752 -203007.7716 2196.9739 0.0000 0.0000 52166.8638 -109303.8070 299.8037 -161470.6708 -108954.5402 299.9025 -197.2449 -174.7157 761611.0634 -1.8904 -2.0359 PRESSURE: 798800 58.8303 -134.789 219.093 -134.789 161.039 64.3665 219.092 64.3666 382.985 GPRESSURE: 798800 87.7012 -127.999 189.532 -138.955 241.372 32.0456 114.204 101.48 374.213 PRESSAVG: 798800 -2.85409 -15.1046 41.3431 -15.1046 -28.2906 -25.1727 41.3432 -25.1728 -6.29805 GPRESSAVG: 798800 -2.53722 -14.8403 39.0946 -15.5531 -27.8408 -26.6489 41.5122 -24.8312 -6.63479 TIMING: 798800 CPU: 2585.8, 0.00315553/step Wall: 2585.8, 0.00315553/step, 3.68251 hours remaining, 232.054688 MB of memory in use. ENERGY: 798800 3961.0907 20420.9910 14493.1818 258.8254 -202963.0428 2494.9941 0.0000 0.0000 51988.1786 -109345.7810 298.7768 -161333.9597 -108981.8690 299.2788 200.9515 234.4287 761856.3704 -12.4809 -12.3376 PRESSURE: 799000 106.958 -26.7997 161.391 -26.7994 -286.546 124.227 161.391 124.227 -151.382 GPRESSURE: 799000 158.493 0.270687 175.809 43.1498 -193.771 79.1534 162.248 -82.0629 -208.951 PRESSAVG: 799000 -8.32565 -32.4036 61.8885 -32.4036 -16.1114 -27.9514 61.8885 -27.9514 -6.51386 GPRESSAVG: 799000 -7.56589 -32.8451 62.9612 -31.4107 -16.0016 -27.7539 63.3814 -28.8351 -6.97596 TIMING: 799000 CPU: 2586.43, 0.00313845/step Wall: 2586.43, 0.00313845/step, 3.6624 hours remaining, 232.054688 MB of memory in use. ENERGY: 799000 3934.1321 20378.9227 14446.5107 253.5530 -202604.2088 2255.7065 0.0000 0.0000 52101.7640 -109233.6197 299.4296 -161335.3838 -108876.2131 299.7592 -110.3234 -81.4096 762129.4260 -10.3170 -10.1812 PRESSURE: 799200 -475.893 85.6898 13.7554 85.6894 -730.184 -72.9868 13.7551 -72.9857 -230.225 GPRESSURE: 799200 -455.057 7.59144 -1.59544 72.8122 -622.398 -78.2067 -41.9615 -18.5041 -260.167 PRESSAVG: 799200 -49.4339 -29.2149 34.6109 -29.215 16.5033 9.09862 34.6109 9.09858 -1.46499 GPRESSAVG: 799200 -49.2254 -29.5715 33.9681 -30.2833 16.7167 10.6375 33.8762 8.1828 -2.12669 TIMING: 799200 CPU: 2587.05, 0.00313434/step Wall: 2587.05, 0.00313434/step, 3.65743 hours remaining, 232.054688 MB of memory in use. ENERGY: 799200 3984.1047 20475.8111 14449.9565 239.0207 -202903.5041 2143.2544 0.0000 0.0000 52196.1064 -109415.2503 299.9717 -161611.3567 -109045.6443 300.1348 -478.7671 -445.8740 761334.8593 -11.4652 -11.5451 PRESSURE: 799400 -18.6831 65.2135 -179.593 65.2132 -32.8542 -119.75 -179.593 -119.75 -68.4051 GPRESSURE: 799400 -15.8885 14.8521 -101.669 160.042 14.6116 -136.656 -105.724 -109.218 -40.0445 PRESSAVG: 799400 -12.3379 -18.2346 94.5544 -18.2346 48.1646 -29.4265 94.5544 -29.4264 3.73306 GPRESSAVG: 799400 -12.558 -18.9626 93.9664 -16.211 47.4275 -31.8075 95.6758 -29.5985 4.33118 TIMING: 799400 CPU: 2587.68, 0.0031422/step Wall: 2587.68, 0.0031422/step, 3.66643 hours remaining, 232.054688 MB of memory in use. ENERGY: 799400 3997.2793 20524.0398 14445.8096 241.7171 -203327.9283 2576.5109 0.0000 0.0000 52045.9178 -109496.6539 299.1086 -161542.5717 -109132.0504 299.9824 -39.9808 -13.7738 760522.9263 13.1866 13.0669 PRESSURE: 799600 -124.508 27.1457 -34.3612 27.1465 237.435 -205.416 -34.361 -205.415 79.4274 GPRESSURE: 799600 -64.6875 23.4844 -71.3437 42.7499 193.409 -207.811 -152.172 -211.266 139.309 PRESSAVG: 799600 23.0482 -81.5079 16.0574 -81.5079 5.82198 -15.2654 16.0575 -15.2653 -25.716 GPRESSAVG: 799600 23.6827 -79.7591 16.9044 -81.7314 4.35259 -13.5737 16.2677 -16.3622 -24.7599 TIMING: 799600 CPU: 2588.31, 0.00313937/step Wall: 2588.31, 0.00313937/step, 3.66295 hours remaining, 232.054688 MB of memory in use. ENERGY: 799600 3922.4950 20405.8194 14458.9141 270.9734 -203452.4516 2631.6616 0.0000 0.0000 52225.3755 -109537.2126 300.1400 -161762.5881 -109178.2567 299.8791 64.1183 89.3435 761730.3958 1.0514 1.0918 PRESSURE: 799800 -209.477 14.7955 -119.125 14.795 -132.447 -276.993 -119.125 -276.994 132.189 GPRESSURE: 799800 -125.595 -0.635607 -165.285 23.0353 -101.402 -352.23 129.59 -286.667 88.0829 PRESSAVG: 799800 32.9729 -56.5335 48.06 -56.5336 -11.9386 -81.8268 48.06 -81.8268 6.6586 GPRESSAVG: 799800 32.8664 -56.8795 45.3836 -57.4897 -9.67326 -82.3336 49.4533 -81.4166 4.39744 TIMING: 799800 CPU: 2588.94, 0.00317148/step Wall: 2588.94, 0.00317148/step, 3.70023 hours remaining, 232.054688 MB of memory in use. ENERGY: 799800 4096.5390 20396.4796 14498.6842 229.1757 -203147.4510 2405.7371 0.0000 0.0000 52089.4416 -109431.3938 299.3587 -161520.8354 -109087.7645 299.5481 -69.9115 -46.3046 760354.4153 9.2310 9.1969 PRESSURE: 800000 -285.939 -39.5863 -132.879 -39.5863 78.0117 -209.482 -132.879 -209.482 136.27 GPRESSURE: 800000 -160.956 -120.333 -148.197 12.7397 49.2001 -168.338 -241.811 -119.742 140.419 PRESSAVG: 800000 52.0824 -67.6611 9.25683 -67.6612 -44.2894 -95.9509 9.25691 -95.9509 -10.4489 GPRESSAVG: 800000 52.2665 -66.2249 12.2663 -67.9659 -46.6271 -95.7708 7.0058 -95.8317 -8.53748 TIMING: 800000 CPU: 2589.58, 0.0031752/step Wall: 2589.58, 0.0031752/step, 3.70439 hours remaining, 232.054688 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: 800000 4005.0262 20313.3485 14473.6489 244.3019 -202676.3934 2042.3218 0.0000 0.0000 52130.6839 -109467.0622 299.5958 -161597.7461 -109096.2674 299.4828 -23.8857 9.5545 759781.2841 -0.8853 -0.9660 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.014 seconds, 232.055 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -295.918 -186.144 -73.8369 -186.144 -383.842 139.029 -73.8378 139.028 -530.374 GPRESSURE: 800200 -310.742 -119.372 -173.117 -210.674 -314.164 173.405 -141.749 101.319 -494.145 PRESSAVG: 800200 5.14406 -41.1176 4.91557 -41.1175 1.65401 -93.6475 4.9156 -93.6475 10.292 GPRESSAVG: 800200 4.1184 -42.0341 3.69673 -40.6818 3.96602 -95.5227 5.24781 -92.3082 9.71808 TIMING: 800200 CPU: 2590.23, 0.00326011/step Wall: 2590.23, 0.00326011/step, 3.80328 hours remaining, 232.179688 MB of memory in use. ENERGY: 800200 4029.0924 20626.0318 14513.5017 269.1452 -203255.0155 2155.5245 0.0000 0.0000 52042.7074 -109619.0127 299.0902 -161661.7200 -109266.1551 299.1524 -403.3782 -373.0171 762064.0082 5.6967 5.9342 LDB: ============= START OF LOAD BALANCING ============== 2602.65 LDB: ============== END OF LOAD BALANCING =============== 2602.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.66 LDB: ============= START OF LOAD BALANCING ============== 2602.97 LDB: Largest compute 7075 load 0.035559 is 18.2% of average load 0.195060 LDB: Average compute 0.004399 is 2.3% of average load 0.195060 LDB: TIME 2602.98 LOAD: AVG 0.19506 MAX 0.211518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.785 MB LDB: TIME 2602.98 LOAD: AVG 0.19506 MAX 0.211518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: TIME 2602.98 LOAD: AVG 0.19506 MAX 0.211518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: ============== END OF LOAD BALANCING =============== 2602.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.98 PRESSURE: 800400 -80.7093 157.799 -149.516 157.8 -192.106 -20.758 -149.516 -20.7557 103.009 GPRESSURE: 800400 -71.9926 89.7178 -122.386 229.174 -93.7992 63.675 -129.469 -17.1233 72.3324 PRESSAVG: 800400 23.1895 -43.3489 15.1842 -43.3489 4.13609 -30.0704 15.1843 -30.0705 -13.4599 GPRESSAVG: 800400 23.3546 -44.1452 15.9733 -42.141 3.99803 -27.0876 14.9703 -31.0778 -13.4619 TIMING: 800400 CPU: 2590.88, 0.00323647/step Wall: 2590.88, 0.00323647/step, 3.77552 hours remaining, 232.097656 MB of memory in use. ENERGY: 800400 4018.6543 20473.2293 14481.4189 242.0288 -203179.5311 2458.6862 0.0000 0.0000 51991.8932 -109513.6204 298.7981 -161505.5136 -109145.4165 298.7423 -56.6022 -31.1531 761547.0610 4.6219 4.6302 PRESSURE: 800600 149.382 36.4564 -22.3426 36.4557 -27.7757 -196.036 -22.3423 -196.037 211.369 GPRESSURE: 800600 194.71 -4.98715 14.8808 103.048 30.9064 -212.799 -59.0708 -92.7597 200.292 PRESSAVG: 800600 56.079 8.27276 -38.6417 8.27276 -59.1415 -10.9427 -38.6417 -10.9427 -24.7773 GPRESSAVG: 800600 56.8883 9.13071 -37.7295 6.88366 -59.7011 -12.4042 -39.9886 -9.69634 -24.8549 TIMING: 800600 CPU: 2591.51, 0.00315733/step Wall: 2591.51, 0.00315733/step, 3.68302 hours remaining, 232.300781 MB of memory in use. ENERGY: 800600 4016.2009 20479.5930 14533.0063 241.9354 -203909.2686 2640.5751 0.0000 0.0000 52448.0485 -109549.9094 301.4197 -161997.9579 -109183.8020 298.9982 110.9919 141.9696 759720.0467 -9.2799 -9.2226 PRESSURE: 800800 23.8079 -26.4016 -292.315 -26.4017 -353.324 -29.5854 -292.315 -29.5847 -49.0039 GPRESSURE: 800800 10.1499 97.6035 -312.525 -149.375 -227.293 -69.4244 -296.966 -43.8164 -79.9014 PRESSAVG: 800800 -14.6248 19.2732 -39.1885 19.2733 1.90896 21.596 -39.1884 21.5961 2.98858 GPRESSAVG: 800800 -14.608 18.4264 -41.4407 20.2408 1.68757 19.858 -38.1587 19.7508 3.37002 TIMING: 800800 CPU: 2592.14, 0.00317092/step Wall: 2592.14, 0.00317092/step, 3.6987 hours remaining, 232.300781 MB of memory in use. ENERGY: 800800 3996.5437 20547.4619 14454.3210 246.6613 -203344.1848 2420.9104 0.0000 0.0000 52036.9463 -109641.3401 299.0570 -161678.2864 -109277.4954 299.2760 -126.1733 -99.0150 760548.3007 -3.2424 -3.1835 PRESSURE: 801000 202.865 12.2463 -169.342 12.2451 166.042 -39.0751 -169.343 -39.0755 201.262 GPRESSURE: 801000 245.139 -45.5732 -215.454 -94.4219 193.649 -140.027 -106.185 -5.86217 217.233 PRESSAVG: 801000 -8.58309 8.46791 25.0991 8.46791 -15.877 -14.7334 25.0991 -14.7334 -8.31271 GPRESSAVG: 801000 -8.79378 9.1185 25.9338 7.94179 -16.2675 -12.4862 25.3764 -14.4529 -7.26552 TIMING: 801000 CPU: 2592.78, 0.00318989/step Wall: 2592.78, 0.00318989/step, 3.72066 hours remaining, 232.300781 MB of memory in use. ENERGY: 801000 3932.9610 20567.2835 14464.8894 244.7501 -203843.1210 2633.1051 0.0000 0.0000 52128.7422 -109871.3896 299.5846 -162000.1318 -109510.8626 299.0838 190.0564 218.6737 759353.2004 -10.9243 -10.7756 PRESSURE: 801200 351.751 -30.0336 103.859 -30.0331 132.591 24.103 103.859 24.1047 -63.7671 GPRESSURE: 801200 472.646 106.263 184.962 -135.164 133.603 33.4576 24.0332 -3.02553 -85.8218 PRESSAVG: 801200 -14.7608 3.7804 1.69209 3.78038 14.5835 -38.8032 1.69218 -38.8032 -1.42954 GPRESSAVG: 801200 -14.7842 3.31921 1.001 4.03746 16.0205 -40.1721 1.49199 -40.1649 -2.83372 TIMING: 801200 CPU: 2593.42, 0.00319286/step Wall: 2593.42, 0.00319286/step, 3.72394 hours remaining, 232.300781 MB of memory in use. ENERGY: 801200 3889.3836 20430.1912 14480.8027 257.8604 -203621.3391 2589.9912 0.0000 0.0000 52195.8413 -109777.2687 299.9702 -161973.1100 -109413.8880 298.8989 140.1916 173.4758 758897.6294 -0.5356 -0.5325 PRESSURE: 801400 -343.943 -14.1466 -111.758 -14.1467 148.701 -131.937 -111.758 -131.938 -240.295 GPRESSURE: 801400 -243.467 -110.92 -93.3603 106.444 66.7694 -144.615 -164.968 7.42808 -170.778 PRESSAVG: 801400 -9.3939 2.97297 16.0725 2.97297 -35.7993 -22.6891 16.0725 -22.6892 -16.8288 GPRESSAVG: 801400 -9.29215 1.39819 15.54 2.46455 -37.5419 -22.2836 14.7643 -21.5393 -15.312 TIMING: 801400 CPU: 2594.06, 0.003177/step Wall: 2594.06, 0.003177/step, 3.70526 hours remaining, 232.300781 MB of memory in use. ENERGY: 801400 3990.0566 20551.4030 14428.2781 235.5819 -203505.0744 2335.2307 0.0000 0.0000 51971.0689 -109993.4552 298.6784 -161964.5241 -109631.6658 298.2486 -145.1790 -115.8251 760156.4199 -20.6740 -20.7153 PRESSURE: 801600 -208.923 -150.865 -139.872 -150.865 -340.886 3.8304 -139.873 3.83145 255.677 GPRESSURE: 801600 -210.913 -50.1899 -130.743 -70.4686 -287.806 24.7339 -57.5586 -121.41 286.989 PRESSAVG: 801600 30.4346 -4.41234 -9.69694 -4.41234 -20.2473 42.1005 -9.69694 42.1005 -0.485353 GPRESSAVG: 801600 31.388 -2.24388 -10.9645 -4.50092 -20.6901 43.1688 -7.264 40.2525 -0.992238 TIMING: 801600 CPU: 2594.69, 0.00315056/step Wall: 2594.69, 0.00315056/step, 3.67425 hours remaining, 232.300781 MB of memory in use. ENERGY: 801600 3985.2185 20340.3041 14518.2764 249.1213 -202993.5754 2135.4612 0.0000 0.0000 52082.5861 -109682.6079 299.3193 -161765.1939 -109312.6076 298.6903 -98.0441 -70.5765 761166.6584 3.2340 3.2352 PRESSURE: 801800 13.0808 98.4492 66.2335 98.4488 -43.6973 236.065 66.2337 236.064 -215.655 GPRESSURE: 801800 84.0304 -2.08429 107.212 164.716 -31.7808 228.449 -7.94431 242.139 -216.206 PRESSAVG: 801800 22.0368 -11.0502 -7.39674 -11.0503 -31.4064 60.8765 -7.39673 60.8765 -1.29075 GPRESSAVG: 801800 22.3475 -11.8344 -4.83496 -10.3301 -30.4343 59.8095 -7.85614 61.8497 -2.90381 TIMING: 801800 CPU: 2595.31, 0.00314408/step Wall: 2595.31, 0.00314408/step, 3.66652 hours remaining, 232.300781 MB of memory in use. ENERGY: 801800 4142.7908 20595.5011 14438.3875 251.4114 -203627.9112 2679.6594 0.0000 0.0000 52148.5528 -109371.6082 299.6984 -161520.1610 -109023.2786 299.3395 -82.0904 -54.6521 763209.5494 -3.5535 -3.6635 PRESSURE: 802000 136.197 -280.056 79.7657 -280.056 79.4973 101.452 79.7665 101.453 57.327 GPRESSURE: 802000 65.5693 -290.393 133.248 -369.483 233.701 -7.75662 -104.913 232.814 46.5499 PRESSAVG: 802000 61.3422 -23.589 -14.7806 -23.589 -24.1909 29.5582 -14.7806 29.5582 8.94064 GPRESSAVG: 802000 59.6226 -23.0475 -16.2874 -24.3178 -23.2511 30.4691 -15.3031 30.8246 9.71253 TIMING: 802000 CPU: 2595.94, 0.00314922/step Wall: 2595.94, 0.00314922/step, 3.67234 hours remaining, 232.300781 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: 802000 3973.8420 20543.9099 14389.8295 240.7831 -203696.9858 2789.6248 0.0000 0.0000 52270.4095 -109488.5870 300.3988 -161758.9965 -109124.2514 299.9129 91.0072 115.2732 760628.7974 15.3640 15.3613 PRESSURE: 802200 70.8258 33.5395 -49.8491 33.5401 19.0867 -38.8956 -49.8495 -38.8955 -3.09282 GPRESSURE: 802200 54.8493 74.9791 -43.0318 4.82659 12.9189 -38.0831 -28.2872 -81.0099 115.183 PRESSAVG: 802200 22.3958 -8.14346 -8.74223 -8.14342 -15.8407 -20.9922 -8.74218 -20.9923 15.8807 GPRESSAVG: 802200 23.1991 -9.87852 -6.51149 -6.05574 -15.357 -21.8669 -10.3553 -22.0983 14.7992 TIMING: 802200 CPU: 2596.57, 0.00313991/step Wall: 2596.57, 0.00313991/step, 3.66131 hours remaining, 232.300781 MB of memory in use. ENERGY: 802200 3986.3461 20519.2923 14470.2420 254.7348 -203471.7698 2413.5025 0.0000 0.0000 52517.4099 -109310.2423 301.8183 -161827.6521 -108946.3129 299.8230 28.9399 60.9839 759111.8150 7.4786 7.5471 PRESSURE: 802400 -186.65 -60.2056 -92.5605 -60.2061 -13.142 6.61164 -92.5601 6.61176 222.854 GPRESSURE: 802400 -87.703 110.487 -115.085 -73.4731 59.6648 -17.854 -151.362 -70.7061 152.685 PRESSAVG: 802400 -32.4268 -24.467 -36.1966 -24.467 3.32622 -18.8024 -36.1967 -18.8024 -18.6707 GPRESSAVG: 802400 -33.2977 -23.6387 -37.777 -26.8489 2.94574 -20.1224 -32.2867 -20.1371 -17.8546 TIMING: 802400 CPU: 2597.2, 0.00313678/step Wall: 2597.2, 0.00313678/step, 3.65749 hours remaining, 232.300781 MB of memory in use. ENERGY: 802400 4050.9347 20724.5100 14481.0264 231.4250 -203354.3699 2520.0216 0.0000 0.0000 51974.8605 -109371.5916 298.7002 -161346.4521 -109005.4168 300.0675 7.6875 41.5489 760155.5327 -15.9237 -16.0688 PRESSURE: 802600 -171.749 123.92 149.026 123.921 -59.4123 25.8825 149.026 25.8802 323.486 GPRESSURE: 802600 -262.406 67.5785 132.174 216.589 98.2452 27.8056 51.4178 97.2055 357.852 PRESSAVG: 802600 -93.8776 16.836 -19.9212 16.836 73.2911 -10.1153 -19.9212 -10.1153 12.7672 GPRESSAVG: 802600 -92.4967 17.1604 -19.4023 17.549 73.1807 -8.57439 -23.1824 -9.53337 11.9375 TIMING: 802600 CPU: 2597.83, 0.00315038/step Wall: 2597.83, 0.00315038/step, 3.67317 hours remaining, 232.300781 MB of memory in use. ENERGY: 802600 3957.1070 20642.3190 14370.2777 255.3907 -203585.4934 2704.0551 0.0000 0.0000 51945.4528 -109710.8911 298.5312 -161656.3438 -109344.6155 299.2542 30.7750 64.5636 759834.4897 -2.6064 -2.4595 PRESSURE: 802800 -243.612 -7.49101 8.30606 -7.4911 160.71 86.4938 8.30622 86.4936 -517.859 GPRESSURE: 802800 -187.644 -58.7706 -14.9613 -35.5118 140.14 191.587 49.353 74.1379 -463.214 PRESSAVG: 802800 17.3604 -24.1167 7.0754 -24.1167 26.95 -27.7998 7.07543 -27.7998 5.14082 GPRESSAVG: 802800 16.3344 -23.5013 6.23448 -24.6875 27.9912 -27.884 8.82075 -26.4095 4.70009 TIMING: 802800 CPU: 2598.46, 0.00314551/step Wall: 2598.46, 0.00314551/step, 3.66732 hours remaining, 232.300781 MB of memory in use. ENERGY: 802800 4026.8408 20519.1387 14399.0124 230.0673 -203293.7857 2403.5856 0.0000 0.0000 51905.4005 -109809.7403 298.3011 -161715.1408 -109444.3873 298.7874 -200.2537 -170.2393 759045.1426 16.4837 16.3419 PRESSURE: 803000 263.3 -5.09729 40.9412 -5.09808 -68.2221 15.1683 40.9406 15.1697 289.805 GPRESSURE: 803000 297.968 -12.8825 -79.7468 59.9354 -62.3006 26.3116 81.7765 13.8555 313.229 PRESSAVG: 803000 -24.1217 -43.8376 20.0839 -43.8376 30.9506 -76.8955 20.084 -76.8955 -9.51387 GPRESSAVG: 803000 -25.2738 -45.2935 21.1456 -43.2493 30.623 -76.2629 18.6006 -76.9536 -8.5253 TIMING: 803000 CPU: 2599.09, 0.00314866/step Wall: 2599.09, 0.00314866/step, 3.67082 hours remaining, 232.300781 MB of memory in use. ENERGY: 803000 3934.3808 20530.2671 14430.6907 249.7933 -203975.9628 2728.7478 0.0000 0.0000 52155.7463 -109946.3367 299.7398 -162102.0830 -109581.1483 298.2237 161.6275 182.9654 760328.8157 -0.8950 -1.0587 PRESSURE: 803200 310.112 133.651 12.8059 133.651 181.216 -18.9851 12.8055 -18.9854 99.6504 GPRESSURE: 803200 424.78 116.528 16.1011 105.57 176.425 54.3069 157.001 -179.537 46.0927 PRESSAVG: 803200 36.9097 -36.1451 -7.96595 -36.1452 -19.8989 -8.9705 -7.96591 -8.97048 -2.37785 GPRESSAVG: 803200 37.7823 -36.1055 -10.1079 -35.9777 -21.6034 -9.0278 -5.64165 -8.90094 -1.20762 TIMING: 803200 CPU: 2599.72, 0.00314345/step Wall: 2599.72, 0.00314345/step, 3.66456 hours remaining, 232.300781 MB of memory in use. ENERGY: 803200 3987.2868 20615.5002 14409.6758 229.7406 -203829.1617 2802.8370 0.0000 0.0000 52020.0697 -109764.0517 298.9601 -161784.1213 -109407.0773 298.8105 196.9928 215.7659 759278.2213 4.8777 4.9904 PRESSURE: 803400 -296.593 20.3256 -55.4058 20.3249 354.52 152.505 -55.4052 152.505 -317.109 GPRESSURE: 803400 -267.61 90.6916 -90.8016 -24.393 385.622 96.2573 -100.086 214.631 -294.929 PRESSAVG: 803400 -53.4473 64.0264 24.032 64.0264 45.3346 11.2504 24.032 11.2505 3.1782 GPRESSAVG: 803400 -52.111 63.3472 25.9317 65.348 46.057 11.3785 22.2285 11.2581 1.22727 TIMING: 803400 CPU: 2600.34, 0.00311243/step Wall: 2600.34, 0.00311243/step, 3.62823 hours remaining, 232.300781 MB of memory in use. ENERGY: 803400 3969.0589 20666.9404 14502.3159 254.7097 -203638.4516 2726.2921 0.0000 0.0000 51728.2379 -109790.8966 297.2829 -161519.1345 -109437.0050 299.4908 -86.3937 -58.9723 760659.0505 -1.6448 -1.6089 PRESSURE: 803600 -62.3722 -298.918 -113.078 -298.917 -7.87004 -38.5882 -113.077 -38.5883 144.424 GPRESSURE: 803600 -63.1238 -323.487 -98.9679 -199.356 100.323 -38.3644 -15.4662 -17.6471 136.305 PRESSAVG: 803600 3.7768 -23.1725 -18.9456 -23.1725 -2.91384 6.66291 -18.9457 6.66285 0.576286 GPRESSAVG: 803600 3.16716 -20.4273 -19.5221 -26.0406 -3.19395 5.14489 -17.4924 7.84565 1.18229 TIMING: 803600 CPU: 2600.96, 0.00312406/step Wall: 2600.96, 0.00312406/step, 3.64162 hours remaining, 232.300781 MB of memory in use. ENERGY: 803600 3919.6113 20657.2641 14455.5477 257.6509 -203461.9133 2569.8903 0.0000 0.0000 51992.4064 -109609.5427 298.8011 -161601.9491 -109248.3113 299.1625 24.7271 57.8344 760646.7269 0.4798 0.3852 PRESSURE: 803800 39.9758 -231.304 -178.325 -231.305 -325.571 -164.613 -178.324 -164.613 -69.4488 GPRESSURE: 803800 61.7076 -250.183 -207.102 -137.67 -253.253 -151.937 -82.7636 -185.186 -76.6624 PRESSAVG: 803800 -1.06196 -53.5476 -12.4391 -53.5476 2.71813 -57.2444 -12.439 -57.2444 -3.97877 GPRESSAVG: 803800 -1.91932 -55.1276 -12.6238 -54.7562 2.64333 -55.2795 -12.8941 -57.5631 -3.08885 TIMING: 803800 CPU: 2601.59, 0.0031459/step Wall: 2601.59, 0.0031459/step, 3.6669 hours remaining, 232.300781 MB of memory in use. ENERGY: 803800 3959.6858 20593.8364 14506.2394 252.7444 -203799.4898 2828.1420 0.0000 0.0000 52081.1251 -109577.7167 299.3109 -161658.8418 -109218.0571 299.2902 -118.3480 -89.4027 760875.4296 -0.7742 -0.7883 PRESSURE: 804000 443.9 -187.451 17.6258 -187.451 55.8218 18.2709 17.6249 18.2689 153.369 GPRESSURE: 804000 489.636 -111.542 28.74 5.05873 92.3873 31.3717 43.7854 98.3218 152.138 PRESSAVG: 804000 102.981 0.9119 -72.1919 0.911827 -38.2647 19.4262 -72.1918 19.4261 -2.04086 GPRESSAVG: 804000 104.37 -0.423955 -72.1613 4.3003 -38.8016 17.4106 -71.8283 20.0523 -3.49487 TIMING: 804000 CPU: 2602.22, 0.00315395/step Wall: 2602.22, 0.00315395/step, 3.67611 hours remaining, 232.300781 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: 804000 4005.7420 20468.9825 14515.6156 259.1252 -203585.3047 2565.7704 0.0000 0.0000 52291.5146 -109478.5544 300.5201 -161770.0690 -109113.8521 299.7744 217.6971 244.7205 759536.3055 20.8917 20.6910 PRESSURE: 804200 -38.7226 -71.7713 44.1738 -71.7708 -213.874 -130.215 44.1739 -130.216 329.027 GPRESSURE: 804200 30.1713 43.9146 35.0392 -85.8991 -181.452 -161.578 57.7747 -56.4451 326.218 PRESSAVG: 804200 63.4038 -32.4227 5.37188 -32.4227 -26.1054 10.7623 5.37187 10.7623 -2.33662 GPRESSAVG: 804200 63.4862 -30.8629 6.51059 -34.5731 -25.7752 11.4811 3.84944 10.9005 -2.07738 TIMING: 804200 CPU: 2602.85, 0.00315096/step Wall: 2602.85, 0.00315096/step, 3.67244 hours remaining, 232.300781 MB of memory in use. ENERGY: 804200 4055.1767 20634.9226 14502.5010 253.8085 -203553.0688 2434.2105 0.0000 0.0000 52156.4569 -109515.9927 299.7439 -161672.4496 -109157.5291 299.8063 25.4768 58.3124 761045.3382 11.6539 11.8779 LDB: ============= START OF LOAD BALANCING ============== 2615.28 LDB: ============== END OF LOAD BALANCING =============== 2615.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2615.28 LDB: ============= START OF LOAD BALANCING ============== 2615.6 LDB: Largest compute 7075 load 0.037871 is 19.4% of average load 0.195044 LDB: Average compute 0.004413 is 2.3% of average load 0.195044 LDB: TIME 2615.6 LOAD: AVG 0.195044 MAX 0.217987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.605 MB LDB: TIME 2615.6 LOAD: AVG 0.195044 MAX 0.217987 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.605 MB LDB: TIME 2615.6 LOAD: AVG 0.195044 MAX 0.213416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.605 MB LDB: ============== END OF LOAD BALANCING =============== 2615.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2615.61 PRESSURE: 804400 52.9797 -164.77 107.136 -164.769 161.113 -47.6948 107.137 -47.6956 400.902 GPRESSURE: 804400 171.796 -22.0059 93.8035 -138.69 145.435 28.8121 90.7794 -61.4815 393.041 PRESSAVG: 804400 -12.4627 -119.162 0.166465 -119.162 -4.99569 34.5248 0.166462 34.5248 16.3171 GPRESSAVG: 804400 -12.2997 -118.901 0.666368 -118.918 -4.72868 35.5427 -0.0395718 29.5564 15.6204 TIMING: 804400 CPU: 2603.5, 0.00325231/step Wall: 2603.5, 0.00325231/step, 3.79039 hours remaining, 229.996094 MB of memory in use. ENERGY: 804400 3989.5392 20434.5267 14463.9942 255.5671 -203688.7932 2685.0171 0.0000 0.0000 52438.4522 -109421.6967 301.3645 -161860.1488 -109049.7644 300.5401 204.9984 236.7574 760944.0843 -0.3804 -0.4693 PRESSURE: 804600 -112.306 29.3093 111.969 29.309 -212.553 -143.363 111.969 -143.364 195.955 GPRESSURE: 804600 -54.1948 -136.991 155.398 18.1946 -211.32 -97.3088 77.6821 -252.553 225.917 PRESSAVG: 804600 -39.1183 -90.4454 -3.59676 -90.4454 36.148 -3.81462 -3.59675 -3.81463 -15.4966 GPRESSAVG: 804600 -40.2344 -90.7312 -4.92467 -91.5552 35.6701 -5.36633 -2.89141 -0.471373 -14.8141 TIMING: 804600 CPU: 2604.14, 0.00316175/step Wall: 2604.14, 0.00316176/step, 3.68467 hours remaining, 230.066406 MB of memory in use. ENERGY: 804600 3934.6447 20595.9918 14446.3442 251.4851 -203472.1358 2513.7739 0.0000 0.0000 52490.7512 -109239.1448 301.6651 -161729.8960 -108874.7555 300.4873 -42.9678 -13.1992 761544.1670 -6.1556 -6.4595 PRESSURE: 804800 277.471 -356.137 -50.947 -356.137 26.337 146.293 -50.947 146.293 -223.059 GPRESSURE: 804800 273.505 -309.9 6.03791 -264.309 63.0275 145.949 -42.383 -3.62657 -146.075 PRESSAVG: 804800 -35.9649 -2.42774 -12.4844 -2.42766 25.793 -7.30973 -12.4845 -7.30974 -16.2276 GPRESSAVG: 804800 -37.7747 -1.69387 -11.4628 -1.55852 26.8081 -8.95565 -12.8938 -5.7959 -15.0622 TIMING: 804800 CPU: 2604.77, 0.00316125/step Wall: 2604.77, 0.00316125/step, 3.68391 hours remaining, 230.066406 MB of memory in use. ENERGY: 804800 4029.3319 20764.0982 14455.5166 256.0529 -203310.2574 2445.9956 0.0000 0.0000 51998.3631 -109360.8989 298.8353 -161359.2620 -109001.2278 300.5548 26.9164 63.4857 760941.5174 -8.7998 -8.6763 PRESSURE: 805000 -163.248 -126.155 107.605 -126.155 175.082 -247.007 107.604 -247.007 -114.491 GPRESSURE: 805000 -82.4008 -124.911 61.4162 -48.5227 240.6 -313.021 98.5733 -339.319 -179.688 PRESSAVG: 805000 35.5912 -59.9935 18.643 -59.9935 2.96982 17.8741 18.643 17.8741 10.2583 GPRESSAVG: 805000 37.0714 -59.9724 17.0919 -60.9771 2.64669 19.1156 19.416 16.727 8.80926 TIMING: 805000 CPU: 2605.4, 0.00315343/step Wall: 2605.4, 0.00315343/step, 3.67463 hours remaining, 230.269531 MB of memory in use. ENERGY: 805000 3964.0816 20474.5515 14470.9719 269.0997 -203276.1762 2387.4454 0.0000 0.0000 52271.5461 -109438.4799 300.4053 -161710.0260 -109061.9423 299.7840 -34.2189 -7.1629 760895.5477 16.2731 16.1758 PRESSURE: 805200 -339.024 -4.93966 -93.9408 -4.93925 -526.192 -288.552 -93.9413 -288.551 -63.4384 GPRESSURE: 805200 -354.885 -83.7623 -83.962 -29.7823 -449.418 -226.137 -64.671 -308.001 -36.614 PRESSAVG: 805200 1.93524 -42.8636 27.8813 -42.8637 -14.2294 -24.4712 27.8813 -24.4712 -18.4205 GPRESSAVG: 805200 1.79101 -44.2605 28.9069 -43.0415 -13.4551 -23.7753 28.6938 -24.7915 -19.2201 TIMING: 805200 CPU: 2606.03, 0.00315278/step Wall: 2606.03, 0.00315278/step, 3.67369 hours remaining, 230.269531 MB of memory in use. ENERGY: 805200 4032.1976 20699.9624 14512.5399 255.8765 -203288.4219 2379.9430 0.0000 0.0000 51987.2546 -109420.6478 298.7715 -161407.9025 -109061.3202 299.5648 -309.5515 -280.3058 761108.3680 -10.2382 -10.2947 PRESSURE: 805400 -193.189 61.1831 -214.383 61.1836 -297.837 72.0499 -214.383 72.0507 26.0489 GPRESSURE: 805400 -115.34 -78.9991 -205.296 97.7574 -261.072 -14.1568 -299.575 158.243 14.9046 PRESSAVG: 805400 -7.81877 35.413 -28.0178 35.413 36.9203 -4.86349 -28.0178 -4.86359 -5.49362 GPRESSAVG: 805400 -6.29676 36.2115 -29.086 35.1074 35.002 -5.61798 -29.3103 -4.56715 -4.95104 TIMING: 805400 CPU: 2606.66, 0.00316749/step Wall: 2606.66, 0.00316749/step, 3.69066 hours remaining, 230.269531 MB of memory in use. ENERGY: 805400 3966.0366 20605.3074 14492.4492 256.9725 -203273.8902 2439.4362 0.0000 0.0000 52001.2257 -109512.4625 298.8518 -161513.6882 -109155.7187 299.1355 -154.9925 -120.5023 759446.3125 7.8693 7.9181 PRESSURE: 805600 -628.32 -94.3502 183.798 -94.3487 93.8433 182.258 183.798 182.258 -175.198 GPRESSURE: 805600 -640.404 98.2933 140.153 -25.933 209.781 153.385 241.154 41.0566 -210.077 PRESSAVG: 805600 3.97137 3.76753 33.9558 3.76756 14.8336 3.55343 33.9557 3.55343 1.90922 GPRESSAVG: 805600 3.32069 4.32672 34.8847 6.64222 15.3098 5.26953 32.3137 2.84712 1.71809 TIMING: 805600 CPU: 2607.3, 0.00316048/step Wall: 2607.3, 0.00316048/step, 3.68231 hours remaining, 230.269531 MB of memory in use. ENERGY: 805600 4012.4071 20547.7183 14531.0203 257.9689 -203179.7286 2318.5796 0.0000 0.0000 52325.3158 -109186.7185 300.7143 -161512.0343 -108816.4815 299.8458 -236.5584 -213.5666 761615.0632 6.9047 6.7829 PRESSURE: 805800 189.332 176.926 -50.7921 176.926 126.281 2.34068 -50.7915 2.34126 13.2482 GPRESSURE: 805800 154.291 257.295 -75.0341 153.49 225.672 -23.5244 100.216 -80.8285 51.1004 PRESSAVG: 805800 30.0449 -9.36771 -6.49544 -9.36773 27.2719 -30.02 -6.49546 -30.02 13.5974 GPRESSAVG: 805800 28.9094 -10.0023 -6.93142 -12.1551 28.603 -30.0565 -4.04657 -31.0165 13.2111 TIMING: 805800 CPU: 2607.93, 0.00314755/step Wall: 2607.93, 0.00314755/step, 3.66707 hours remaining, 230.269531 MB of memory in use. ENERGY: 805800 3991.2401 20519.2844 14481.7853 263.2718 -203434.5346 2512.9277 0.0000 0.0000 52372.2662 -109293.7591 300.9841 -161666.0253 -108928.8342 300.0115 109.6204 143.6877 758519.3014 23.6381 23.5745 PRESSURE: 806000 -62.0302 -89.2055 84.5776 -89.206 -281.4 64.9802 84.5774 64.9799 -147.726 GPRESSURE: 806000 -71.3652 33.8268 57.0395 -154.821 -236.445 7.15017 96.3199 -92.2939 -95.3526 PRESSAVG: 806000 -14.5028 -28.7497 -2.62173 -28.7497 -17.8024 -58.1772 -2.62177 -58.1772 -17.6061 GPRESSAVG: 806000 -15.0356 -27.7658 -1.72961 -31.1437 -18.1231 -56.9896 -3.67359 -58.9482 -16.6424 TIMING: 806000 CPU: 2608.56, 0.00318501/step Wall: 2608.56, 0.00318501/step, 3.71054 hours remaining, 230.269531 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: 806000 3954.8697 20676.4385 14486.0955 238.5751 -202815.4421 2231.6778 0.0000 0.0000 51900.6613 -109327.1243 298.2738 -161227.7855 -108961.5927 300.0076 -163.7188 -134.3876 760794.4824 -16.6371 -16.6004 PRESSURE: 806200 169.722 -39.1212 -58.7882 -39.1208 -91.1136 157.652 -58.7885 157.652 -81.8829 GPRESSURE: 806200 111.444 18.9453 -35.1667 65.3075 -39.915 154.884 69.0357 200.828 33.2545 PRESSAVG: 806200 10.977 -68.8077 -41.9418 -68.8076 -13.3961 -21.9649 -41.9418 -21.9649 -0.586356 GPRESSAVG: 806200 12.0779 -68.1217 -43.074 -66.4849 -14.4861 -23.964 -42.0847 -19.8008 -0.138206 TIMING: 806200 CPU: 2609.19, 0.00315576/step Wall: 2609.19, 0.00315576/step, 3.67629 hours remaining, 230.269531 MB of memory in use. ENERGY: 806200 3932.6912 20588.9301 14480.5645 254.1881 -202772.6730 2220.8822 0.0000 0.0000 52269.3813 -109026.0357 300.3929 -161295.4170 -108662.2229 300.2153 -1.0917 34.9279 761574.7496 -1.0018 -0.8488 PRESSURE: 806400 84.6111 -33.9007 -124.759 -33.9005 268.733 -60.5454 -124.76 -60.5456 -369.844 GPRESSURE: 806400 69.7902 -25.0173 -26.4715 2.32563 276.022 39.87 -183.746 -251.613 -291.441 PRESSAVG: 806400 -2.18313 -40.0449 -12.1737 -40.0448 -17.0689 -29.8762 -12.1737 -29.8762 5.01014 GPRESSAVG: 806400 -3.23894 -40.9707 -11.2196 -39.1179 -15.4889 -28.8361 -11.1449 -31.1942 5.03207 TIMING: 806400 CPU: 2609.83, 0.00316821/step Wall: 2609.83, 0.00316821/step, 3.69062 hours remaining, 230.269531 MB of memory in use. ENERGY: 806400 4025.8065 20710.1437 14516.7291 231.2267 -203026.8898 2329.0308 0.0000 0.0000 51844.8467 -109369.1063 297.9530 -161213.9529 -109024.6939 299.8753 -5.4999 18.1238 760158.5950 -4.7473 -4.5653 PRESSURE: 806600 -87.1583 25.9633 -279.61 25.9632 232.881 -119.78 -279.609 -119.78 121.924 GPRESSURE: 806600 -32.1639 -80.9996 -301.406 8.52562 261.394 -270.504 -175.151 -78.0347 143.737 PRESSAVG: 806600 27.3412 7.55393 -9.26674 7.55385 -29.7479 -16.6002 -9.26674 -16.6001 1.55216 GPRESSAVG: 806600 28.6172 4.21338 -10.2805 8.08772 -30.4024 -16.9202 -10.2678 -15.1837 1.12924 TIMING: 806600 CPU: 2610.46, 0.00316812/step Wall: 2610.46, 0.00316812/step, 3.69033 hours remaining, 230.269531 MB of memory in use. ENERGY: 806600 3988.9450 20452.0737 14454.3883 252.0660 -203197.9038 2737.0162 0.0000 0.0000 51987.2887 -109326.1259 298.7717 -161313.4146 -108975.7046 299.8072 89.2157 124.3224 761209.4082 -0.2848 -0.2187 PRESSURE: 806800 315.689 -17.0757 84.4416 -17.076 131.149 -165.397 84.4417 -165.398 -166.115 GPRESSURE: 806800 286.926 -54.821 25.4857 -65.6634 201.577 -217.656 -38.1841 -160.563 -116.012 PRESSAVG: 806800 29.1193 -24.6933 18.0257 -24.6932 -49.6898 -37.1439 18.0257 -37.1439 2.41909 GPRESSAVG: 806800 29.845 -20.9769 17.6813 -26.4735 -50.4307 -37.5933 16.8438 -36.8424 2.74403 TIMING: 806800 CPU: 2611.11, 0.00322013/step Wall: 2611.11, 0.00322013/step, 3.75073 hours remaining, 230.269531 MB of memory in use. ENERGY: 806800 3970.2669 20517.2971 14409.8730 248.3152 -203257.8505 2591.0572 0.0000 0.0000 52145.6732 -109375.3678 299.6819 -161521.0410 -109008.8893 299.5735 93.5741 124.1639 760473.3146 -6.0505 -5.9472 PRESSURE: 807000 138.862 -244.972 -16.2841 -244.972 -29.0388 465.871 -16.2836 465.871 13.4942 GPRESSURE: 807000 106.573 -112.22 45.3712 -44.3957 31.0568 486.743 82.2402 343.744 78.7632 PRESSAVG: 807000 0.624846 8.90691 43.4282 8.90692 35.9033 -2.76348 43.4283 -2.76355 5.61049 GPRESSAVG: 807000 1.39515 6.86715 44.1321 12.045 35.6832 -1.12365 44.5486 -5.73848 5.03648 TIMING: 807000 CPU: 2611.74, 0.00316954/step Wall: 2611.74, 0.00316954/step, 3.69163 hours remaining, 230.269531 MB of memory in use. ENERGY: 807000 3954.2079 20559.1197 14371.5781 233.6837 -203196.2307 2778.3465 0.0000 0.0000 51923.9223 -109375.3727 298.4075 -161299.2949 -109010.5275 299.5392 41.1059 72.1308 762935.8236 14.0462 14.0383 PRESSURE: 807200 -315.569 -33.1803 -22.4162 -33.1798 190.603 -97.6334 -22.4162 -97.6331 242.183 GPRESSURE: 807200 -212.202 -36.2817 6.3996 -51.9657 149.021 -158.867 -8.46174 -27.8822 249.644 PRESSAVG: 807200 -12.7853 -22.9091 -0.760282 -22.9092 8.42597 15.464 -0.760312 15.4639 -10.3535 GPRESSAVG: 807200 -14.1335 -21.208 -0.569166 -23.3747 8.26868 14.8733 -1.17048 16.8472 -8.76579 TIMING: 807200 CPU: 2612.37, 0.00315303/step Wall: 2612.37, 0.00315303/step, 3.67223 hours remaining, 230.269531 MB of memory in use. ENERGY: 807200 3924.1617 20485.2474 14482.5544 248.7302 -202866.5245 2227.6630 0.0000 0.0000 52254.1897 -109243.9780 300.3055 -161498.1677 -108885.0676 300.0822 39.0722 62.1543 760905.5211 -4.9043 -4.8769 PRESSURE: 807400 561.404 -180.916 -30.3435 -180.916 170.333 -166.832 -30.3429 -166.833 207.853 GPRESSURE: 807400 547.802 -192.964 -48.1003 -206.64 247.623 -224.007 136.369 -57.492 239.73 PRESSAVG: 807400 57.8521 -10.0003 11.5474 -10.0002 -25.2751 -24.0728 11.5474 -24.0728 6.50343 GPRESSAVG: 807400 56.3778 -10.4654 10.7836 -10.5103 -23.0609 -24.2888 12.6968 -23.5187 6.51489 TIMING: 807400 CPU: 2613, 0.00315/step Wall: 2613, 0.00315/step, 3.66852 hours remaining, 230.269531 MB of memory in use. ENERGY: 807400 4010.7968 20466.1818 14453.3456 258.3677 -203431.6941 2768.7255 0.0000 0.0000 52073.5035 -109400.7733 299.2671 -161474.2768 -109036.7346 299.8505 313.1967 345.0517 758518.7630 13.0268 13.2773 PRESSURE: 807600 97.182 -181.923 21.8971 -181.924 538.197 -44.0246 21.8972 -44.0248 274.981 GPRESSURE: 807600 240.468 -179.652 79.055 -65.9684 490.859 -103.793 -71.3797 -5.00157 264.884 PRESSAVG: 807600 14.9879 -10.1079 34.474 -10.108 11.2846 19.8988 34.474 19.8989 -41.5618 GPRESSAVG: 807600 17.2389 -10.2849 36.5955 -10.4788 10.3223 18.5101 34.3916 20.307 -42.1373 TIMING: 807600 CPU: 2613.64, 0.00317704/step Wall: 2613.64, 0.00317704/step, 3.69984 hours remaining, 230.269531 MB of memory in use. ENERGY: 807600 4002.0789 20484.2307 14511.3188 246.2674 -203318.0990 2442.8546 0.0000 0.0000 52200.3196 -109431.0290 299.9960 -161631.3486 -109068.0412 299.3769 303.4532 332.0703 759891.5556 -5.0965 -4.8587 PRESSURE: 807800 -157.428 -196.189 153.338 -196.189 235.96 -4.38781 153.338 -4.38831 -77.8972 GPRESSURE: 807800 -62.4832 -188.374 82.972 -204.804 176.9 66.8455 29.5029 -59.6983 -42.2096 PRESSAVG: 807800 32.4796 6.64062 29.0935 6.64062 -38.5511 -21.3363 29.0934 -21.3363 13.0242 GPRESSAVG: 807800 32.5174 5.5335 26.8198 7.38667 -38.7251 -20.2855 28.0648 -22.7428 13.5874 TIMING: 807800 CPU: 2614.27, 0.00316668/step Wall: 2614.27, 0.00316668/step, 3.6876 hours remaining, 230.269531 MB of memory in use. ENERGY: 807800 4065.8288 20500.0257 14403.9637 259.4145 -203683.6636 2666.8298 0.0000 0.0000 52387.2033 -109400.3977 301.0700 -161787.6010 -109038.2654 299.7748 0.2115 24.0691 760249.1902 2.3175 2.4599 PRESSURE: 808000 69.917 149.637 133.175 149.636 5.28427 84.1651 133.175 84.1636 256.827 GPRESSURE: 808000 100.563 177.933 74.2471 130.926 69.3644 76.264 185.846 79.3189 222.025 PRESSAVG: 808000 25.683 -42.4782 17.3731 -42.4782 -48.8275 -0.415153 17.3731 -0.415184 4.81371 GPRESSAVG: 808000 25.6371 -41.5872 18.7425 -42.799 -47.6353 -0.308618 17.6409 1.71742 3.21798 TIMING: 808000 CPU: 2614.9, 0.00317056/step Wall: 2614.9, 0.00317056/step, 3.69194 hours remaining, 230.269531 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: 808000 4019.1500 20492.2556 14417.6506 243.7984 -203410.7441 2598.6978 0.0000 0.0000 52122.0476 -109517.1440 299.5461 -161639.1917 -109157.8548 299.5724 110.6759 130.6508 762078.3421 -6.1103 -6.2601 PRESSURE: 808200 -286.046 -116.997 -79.8492 -116.996 57.7953 -144.853 -79.8494 -144.853 -278.228 GPRESSURE: 808200 -208.68 -34.8674 -87.4005 -130.389 94.6137 -80.1481 -82.0451 6.50502 -295.037 PRESSAVG: 808200 21.7701 -56.6516 8.68542 -56.6516 -15.6593 -18.4848 8.68547 -18.4848 -30.2058 GPRESSAVG: 808200 21.8116 -53.692 7.42566 -58.1472 -16.8033 -18.0713 8.56793 -19.3979 -29.2092 TIMING: 808200 CPU: 2615.54, 0.00317008/step Wall: 2615.54, 0.00317008/step, 3.69121 hours remaining, 230.269531 MB of memory in use. ENERGY: 808200 3998.4799 20390.4187 14402.9195 237.0023 -203127.3589 2467.5661 0.0000 0.0000 52185.7878 -109445.1847 299.9124 -161630.9725 -109079.4999 299.7664 -168.8262 -136.3678 762046.1978 -8.0317 -8.0670 LDB: ============= START OF LOAD BALANCING ============== 2627.96 LDB: ============== END OF LOAD BALANCING =============== 2627.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2627.96 LDB: ============= START OF LOAD BALANCING ============== 2628.28 LDB: Largest compute 7075 load 0.035379 is 18.1% of average load 0.195018 LDB: Average compute 0.004402 is 2.3% of average load 0.195018 LDB: TIME 2628.28 LOAD: AVG 0.195018 MAX 0.213826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.551 MB LDB: TIME 2628.28 LOAD: AVG 0.195018 MAX 0.213826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: TIME 2628.28 LOAD: AVG 0.195018 MAX 0.213826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: ============== END OF LOAD BALANCING =============== 2628.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2628.29 Info: useSync: 0 useProxySync: 0 PRESSURE: 808400 -35.134 -232.468 25.0714 -232.467 37.5817 -1.75253 25.0716 -1.75294 -137.978 GPRESSURE: 808400 54.3226 -238.306 23.0961 -164.528 59.2815 5.52942 33.0579 111.571 -156.989 PRESSAVG: 808400 -30.3979 -45.904 -21.4181 -45.9039 45.8898 -38.7655 -21.418 -38.7655 2.16494 GPRESSAVG: 808400 -29.7826 -48.362 -19.4411 -43.6555 45.6332 -38.7593 -19.5668 -39.002 2.45618 TIMING: 808400 CPU: 2616.18, 0.00321711/step Wall: 2616.18, 0.00321711/step, 3.74579 hours remaining, 230.746094 MB of memory in use. ENERGY: 808400 3992.4483 20600.5850 14471.7891 246.7409 -203483.8615 2423.7998 0.0000 0.0000 52176.3384 -109572.1600 299.8581 -161748.4984 -109204.9670 299.2384 -45.1769 -14.4617 761022.5939 5.8856 6.1023 PRESSURE: 808600 24.9356 -170.887 88.6382 -170.886 -59.593 -47.4865 88.6387 -47.4846 -64.5742 GPRESSURE: 808600 63.4601 -223.726 -30.4188 -153.261 -79.1022 -124.522 99.5691 -63.3353 14.8714 PRESSAVG: 808600 14.3104 -34.3534 -23.6467 -34.3534 0.365014 -27.3905 -23.6467 -27.3905 -11.2989 GPRESSAVG: 808600 13.0759 -35.1545 -25.0311 -35.4208 1.4454 -28.4551 -24.5755 -25.8433 -10.8592 TIMING: 808600 CPU: 2616.81, 0.00315437/step Wall: 2616.81, 0.00315437/step, 3.67256 hours remaining, 230.945312 MB of memory in use. ENERGY: 808600 4008.4400 20497.2372 14470.9531 251.8114 -203344.1722 2590.7015 0.0000 0.0000 52001.6986 -109523.3303 298.8545 -161525.0290 -109168.1455 299.2738 -33.0772 -0.2569 759627.3617 1.1255 1.2207 PRESSURE: 808800 -208.037 -172.122 216.826 -172.122 -48.1216 -48.4538 216.826 -48.4544 -234.876 GPRESSURE: 808800 -171.792 -140.784 215.231 -206.046 -43.6447 21.7314 162.171 -103.557 -190.621 PRESSAVG: 808800 100.981 -67.0536 12.274 -67.0536 -97.3686 -34.7857 12.2739 -34.7857 -6.24373 GPRESSAVG: 808800 100.812 -67.1771 12.5955 -66.451 -98.0641 -34.3173 11.7393 -34.77 -5.20966 TIMING: 808800 CPU: 2617.44, 0.00316443/step Wall: 2617.44, 0.00316443/step, 3.68411 hours remaining, 230.945312 MB of memory in use. ENERGY: 808800 4004.7071 20547.2049 14465.7323 231.4446 -203236.9077 2369.7401 0.0000 0.0000 51947.3076 -109670.7711 298.5419 -161618.0787 -109294.5678 299.3873 -163.6783 -135.3526 762115.2037 -0.8772 -0.8207 PRESSURE: 809000 346.678 -0.198503 13.3323 -0.197019 2.12572 -205.966 13.3319 -205.967 19.7637 GPRESSURE: 809000 432.144 -31.8307 36.6055 -105.429 -2.55703 -142.004 50.653 -183.658 23.5739 PRESSAVG: 809000 53.3825 -61.6039 -12.6562 -61.604 -39.2526 35.8474 -12.6563 35.8474 -1.0067 GPRESSAVG: 809000 55.9858 -62.2408 -11.4258 -60.0699 -38.7284 36.1376 -12.759 35.0138 -3.40307 TIMING: 809000 CPU: 2618.09, 0.00325394/step Wall: 2618.09, 0.00325394/step, 3.78813 hours remaining, 230.945312 MB of memory in use. ENERGY: 809000 3990.6458 20453.3600 14433.8187 245.4201 -203487.5627 2683.3579 0.0000 0.0000 51963.7386 -109717.2215 298.6363 -161680.9601 -109358.5172 298.8866 122.8560 151.0535 760973.3461 4.3744 4.6181 PRESSURE: 809200 -219.583 78.1404 68.9574 78.1398 -140.53 182.572 68.9578 182.574 -66.7676 GPRESSURE: 809200 -235.781 131.314 127.155 -29.0821 -97.8869 198.641 60.2384 134.123 8.26523 PRESSAVG: 809200 11.7587 -22.9481 36.615 -22.9481 -13.1592 -22.8127 36.6149 -22.8127 15.9057 GPRESSAVG: 809200 9.98234 -24.3391 37.1473 -25.1741 -12.8496 -23.5905 36.5237 -21.8612 17.3445 TIMING: 809200 CPU: 2618.73, 0.00315606/step Wall: 2618.73, 0.00315606/step, 3.674 hours remaining, 230.945312 MB of memory in use. ENERGY: 809200 3914.7191 20411.1572 14391.8151 256.2656 -203027.7132 2259.8765 0.0000 0.0000 51981.9944 -109811.8853 298.7412 -161793.8796 -109441.5922 298.9644 -142.2936 -108.4677 760305.9328 4.8351 4.8257 PRESSURE: 809400 82.6523 193.804 82.1156 193.804 -129.065 137.792 82.1158 137.793 -414.864 GPRESSURE: 809400 98.6085 175.899 161.325 95.4003 -130.115 58.423 65.6553 42.7911 -347.622 PRESSAVG: 809400 -18.9338 16.6976 39.5118 16.6976 24.5815 -31.2547 39.5118 -31.2547 2.69838 GPRESSAVG: 809400 -18.1102 16.6594 38.1993 16.5934 23.9956 -30.5675 40.1764 -32.2427 2.18342 TIMING: 809400 CPU: 2619.36, 0.00314673/step Wall: 2619.36, 0.00314673/step, 3.66297 hours remaining, 230.945312 MB of memory in use. ENERGY: 809400 3948.7191 20604.6610 14391.1390 252.1534 -203566.4905 2506.7003 0.0000 0.0000 52068.8093 -109794.3084 299.2402 -161863.1177 -109429.9115 298.7592 -153.7592 -126.3761 760871.3345 2.7820 2.6896 PRESSURE: 809600 240.886 -115.794 65.7652 -115.793 227.262 -30.5475 65.7653 -30.5481 -119.72 GPRESSURE: 809600 297.455 -48.0414 31.8321 -57.6037 318.991 -98.4783 31.0401 69.5074 -175.44 PRESSAVG: 809600 31.3928 -3.41615 -40.4972 -3.41609 -7.01674 -25.6804 -40.4971 -25.6804 3.79341 GPRESSAVG: 809600 30.7647 -3.4725 -38.9025 -1.41426 -6.79426 -25.6243 -40.6882 -26.2928 3.86162 TIMING: 809600 CPU: 2619.98, 0.00314089/step Wall: 2619.98, 0.00314089/step, 3.65599 hours remaining, 231.015625 MB of memory in use. ENERGY: 809600 3994.4774 20455.3557 14403.4591 235.6402 -203248.6359 2408.3285 0.0000 0.0000 52034.8553 -109716.5197 299.0450 -161751.3750 -109358.5606 298.9615 116.1428 147.0018 760760.8661 9.3898 9.2774 PRESSURE: 809800 -127.765 -23.2138 -91.0415 -23.2144 -120.654 -257.936 -91.0419 -257.936 -343.792 GPRESSURE: 809800 -113.776 19.0418 -10.8089 -34.4539 -35.0744 -311.803 -103.428 -187.958 -342.894 PRESSAVG: 809800 -68.4035 -10.4794 2.33417 -10.4794 20.9104 11.1264 2.33417 11.1264 19.7759 GPRESSAVG: 809800 -66.8612 -8.28282 0.788074 -11.37 20.0241 10.642 2.56611 13.6628 19.4188 TIMING: 809800 CPU: 2620.62, 0.00317302/step Wall: 2620.62, 0.00317302/step, 3.69322 hours remaining, 231.015625 MB of memory in use. ENERGY: 809800 3986.0334 20370.2436 14431.7287 239.3017 -203157.2337 2319.4377 0.0000 0.0000 52205.4170 -109605.0715 300.0252 -161810.4885 -109240.3096 299.1873 -197.4040 -163.9148 761217.6119 -9.2391 -9.1394 PRESSURE: 810000 -273.229 -194.318 6.48116 -194.318 318.249 59.1357 6.4806 59.1361 162.119 GPRESSURE: 810000 -225.443 -256.598 -118.322 -138.765 348.929 85.6302 144.262 81.1285 183.864 PRESSAVG: 810000 -23.0544 -64.0168 20.7002 -64.0168 2.16743 56.9568 20.7001 56.9568 -13.4452 GPRESSAVG: 810000 -25.1251 -65.8634 18.8654 -63.6562 3.01223 57.5731 21.5714 55.9511 -12.2129 TIMING: 810000 CPU: 2621.26, 0.00318682/step Wall: 2621.26, 0.00318682/step, 3.7091 hours remaining, 231.015625 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: 810000 3987.6120 20619.0346 14477.9319 243.3845 -203156.6151 2339.2046 0.0000 0.0000 51757.7508 -109731.6968 297.4525 -161489.4476 -109380.0416 299.2868 69.0468 102.4499 760711.2968 -11.4441 -11.4419 PRESSURE: 810200 -48.0982 73.2799 -134.869 73.2803 207.391 -160.973 -134.87 -160.972 82.4921 GPRESSURE: 810200 48.3173 120.969 -179.664 -8.69007 208.436 -121.052 -171.556 -124.017 78.3862 PRESSAVG: 810200 -56.8436 -45.9994 -9.67541 -45.9995 68.4022 -11.8631 -9.67546 -11.8631 4.5738 GPRESSAVG: 810200 -55.7943 -43.9545 -8.60077 -47.6109 68.5574 -11.5097 -10.7116 -11.8962 3.38386 TIMING: 810200 CPU: 2621.89, 0.00315086/step Wall: 2621.89, 0.00315086/step, 3.66708 hours remaining, 231.015625 MB of memory in use. ENERGY: 810200 3943.0839 20438.8095 14448.5945 263.2996 -203357.3965 2646.7718 0.0000 0.0000 51940.6621 -109676.1751 298.5037 -161616.8372 -109319.3453 299.0287 80.5950 111.7133 759824.2037 5.3775 5.3823 PRESSURE: 810400 364.836 -9.67074 -157.844 -9.67062 -156.261 164.893 -157.844 164.893 -170.201 GPRESSURE: 810400 403.626 -112.859 -142.842 -44.2863 -137.724 217.009 -95.2561 51.1675 -150.35 PRESSAVG: 810400 14.1892 -65.6597 -2.44633 -65.6597 -20.0534 3.18146 -2.44632 3.18146 -0.461881 GPRESSAVG: 810400 12.741 -69.6741 -1.87718 -63.8402 -19.4543 3.88378 -1.72853 1.319 -0.723645 TIMING: 810400 CPU: 2622.52, 0.00315838/step Wall: 2622.52, 0.00315838/step, 3.67565 hours remaining, 231.015625 MB of memory in use. ENERGY: 810400 4033.1602 20492.1214 14484.6825 258.0113 -203636.1510 2757.1995 0.0000 0.0000 51940.7560 -109670.2200 298.5042 -161610.9760 -109319.2431 298.8591 12.7912 38.5174 761724.5920 -2.1087 -2.4790 PRESSURE: 810600 -70.055 -28.5293 55.6106 -28.5285 -197.48 18.1639 55.6108 18.1646 -160.773 GPRESSURE: 810600 -21.6642 113.176 128.004 55.0906 -156.217 18.7679 95.3937 15.7245 -184.41 PRESSAVG: 810600 -8.12169 -30.8178 7.04696 -30.8178 -2.51461 4.8228 7.04695 4.82276 -11.9557 GPRESSAVG: 810600 -7.13939 -29.1023 8.97042 -30.2891 -3.614 3.10496 6.94902 6.85418 -11.8215 TIMING: 810600 CPU: 2623.15, 0.00315847/step Wall: 2623.15, 0.00315847/step, 3.67559 hours remaining, 231.015625 MB of memory in use. ENERGY: 810600 4048.9082 20488.3743 14487.9323 246.7089 -203261.7921 2447.8916 0.0000 0.0000 51875.8551 -109666.1215 298.1313 -161541.9767 -109309.2729 298.4570 -142.7691 -120.7638 763780.2819 -7.5307 -7.5250 PRESSURE: 810800 -307.923 275.791 -18.9594 275.791 -85.6409 67.219 -18.9592 67.2182 -310.288 GPRESSURE: 810800 -248.963 292.348 14.2043 208.386 -50.5091 105.164 63.7378 121.363 -317.922 PRESSAVG: 810800 25.2929 -15.6066 -55.0097 -15.6066 14.1636 5.63108 -55.0097 5.63108 3.31219 GPRESSAVG: 810800 24.5666 -15.7959 -58.0155 -15.1037 14.3545 5.61314 -53.2683 5.69714 3.65796 TIMING: 810800 CPU: 2623.78, 0.00317758/step Wall: 2623.78, 0.00317758/step, 3.69765 hours remaining, 231.015625 MB of memory in use. ENERGY: 810800 3884.9095 20468.7608 14419.3870 241.1861 -203047.3021 2140.8635 0.0000 0.0000 52288.7427 -109603.4525 300.5041 -161892.1952 -109223.9867 299.0736 -234.6174 -205.7981 762794.5111 14.2562 14.1930 PRESSURE: 811000 98.8016 46.6932 42.0315 46.6943 -297.645 -163.914 42.0306 -163.914 -272.449 GPRESSURE: 811000 108.239 -65.8923 76.2911 33.5194 -201.565 -190.374 -132.775 -169.114 -303.067 PRESSAVG: 811000 3.79527 -39.6296 26.1737 -39.6296 0.489257 33.5428 26.1737 33.5428 2.80477 GPRESSAVG: 811000 4.57375 -38.7731 27.1673 -40.9731 1.93873 33.9909 24.8564 34.5137 0.809671 TIMING: 811000 CPU: 2624.42, 0.00317498/step Wall: 2624.42, 0.00317498/step, 3.69444 hours remaining, 231.015625 MB of memory in use. ENERGY: 811000 3973.6613 20583.8335 14488.4414 250.3142 -203106.0492 2197.9156 0.0000 0.0000 52203.7580 -109408.1253 300.0157 -161611.8833 -109046.3737 299.1872 -157.0975 -132.1311 761845.9971 2.3631 2.4407 PRESSURE: 811200 154.851 46.0236 209.039 46.0233 151.732 -182.244 209.039 -182.245 -464.3 GPRESSURE: 811200 187.41 14.3504 306.062 140.555 152.146 -193.256 71.6684 -257.473 -399.529 PRESSAVG: 811200 29.2621 -10.8854 56.3528 -10.8854 -26.5603 17.4686 56.3528 17.4686 -30.8143 GPRESSAVG: 811200 29.2232 -11.68 57.7217 -11.7392 -27.6414 17.6385 54.8526 15.0347 -29.0869 TIMING: 811200 CPU: 2625.05, 0.00315206/step Wall: 2625.05, 0.00315206/step, 3.6676 hours remaining, 231.015625 MB of memory in use. ENERGY: 811200 3899.5066 20504.6896 14439.2385 234.2305 -203034.4152 2444.6515 0.0000 0.0000 52227.3409 -109284.7576 300.1512 -161512.0984 -108912.0562 299.9064 -52.5721 -19.9912 761096.8100 -9.3708 -9.1684 PRESSURE: 811400 -134.76 -50.337 -185.083 -50.337 -176.004 -134.219 -185.083 -134.219 -121.289 GPRESSURE: 811400 -98.8296 -167.74 -102.19 -86.6172 -119.84 -24.5499 -202.388 -103.582 -115.011 PRESSAVG: 811400 -7.10106 -58.5316 59.8747 -58.5316 -5.7606 -14.6566 59.8747 -14.6565 8.2547 GPRESSAVG: 811400 -7.2609 -58.5967 58.396 -57.1378 -5.30652 -13.3497 62.8501 -12.919 7.97449 TIMING: 811400 CPU: 2625.68, 0.0031502/step Wall: 2625.68, 0.0031502/step, 3.66526 hours remaining, 231.015625 MB of memory in use. ENERGY: 811400 3977.4356 20716.9622 14443.8256 251.1092 -203345.3633 2485.0171 0.0000 0.0000 52057.0246 -109413.9891 299.1724 -161471.0136 -109056.7883 299.5988 -144.0177 -111.2267 760616.7809 -1.5357 -1.5310 PRESSURE: 811600 354.988 -181.608 172.516 -181.606 78.636 373.342 172.516 373.342 -160.895 GPRESSURE: 811600 266.043 -95.3026 183.988 -227.073 178.6 353.368 20.7904 348.278 -66.434 PRESSAVG: 811600 -31.5125 -68.0482 -5.15682 -68.0481 -26.7215 43.8091 -5.15678 43.8091 -16.3314 GPRESSAVG: 811600 -31.0325 -67.1626 -5.96936 -67.3613 -28.1021 42.6156 -7.03457 43.2134 -15.1367 TIMING: 811600 CPU: 2626.31, 0.00315758/step Wall: 2626.31, 0.00315758/step, 3.67367 hours remaining, 231.015625 MB of memory in use. ENERGY: 811600 3951.8816 20550.9123 14394.8873 236.3853 -203053.8189 2548.3857 0.0000 0.0000 52087.8620 -109283.5048 299.3497 -161371.3668 -108921.5931 299.1143 90.9097 126.0697 762263.7764 -24.8551 -24.7571 PRESSURE: 811800 -176.817 -93.7265 -98.1912 -93.7274 -10.9957 25.9033 -98.1907 25.9029 -358.285 GPRESSURE: 811800 -151.57 -76.3208 -110.194 -15.5682 38.889 -44.4856 -60.9705 44.324 -359.816 PRESSAVG: 811800 -4.74588 -23.4379 -15.7969 -23.438 30.2841 -30.8602 -15.7969 -30.8602 -9.44242 GPRESSAVG: 811800 -4.82822 -23.6222 -15.4739 -25.7667 31.003 -31.6775 -14.7515 -30.2738 -9.99784 TIMING: 811800 CPU: 2626.94, 0.00316205/step Wall: 2626.94, 0.00316205/step, 3.67869 hours remaining, 231.015625 MB of memory in use. ENERGY: 811800 3968.1411 20584.4941 14477.7184 251.4992 -202852.1299 2231.5309 0.0000 0.0000 51893.0339 -109445.7123 298.2300 -161338.7462 -109075.1622 299.6909 -182.0326 -157.4988 761991.1712 5.3653 5.3923 PRESSURE: 812000 -111.798 -44.8239 -199.168 -44.8244 -157.987 -121.06 -199.168 -121.06 -97.6616 GPRESSURE: 812000 13.4753 -13.5138 -211.57 -9.89899 -158.202 -41.1386 -57.0191 -184.956 -125.599 PRESSAVG: 812000 -7.42684 -77.5127 -44.0462 -77.5127 6.0568 -29.1193 -44.0462 -29.1193 -18.7914 GPRESSAVG: 812000 -7.47933 -77.66 -42.2708 -76.7406 5.96506 -27.536 -45.8401 -29.027 -18.8563 TIMING: 812000 CPU: 2627.58, 0.00316807/step Wall: 2627.58, 0.00316807/step, 3.68552 hours remaining, 231.015625 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: 812000 3891.2700 20480.0633 14468.7966 230.1470 -203336.8218 2392.1063 0.0000 0.0000 52172.1679 -109702.2706 299.8342 -161874.4386 -109341.5453 299.1204 -122.4821 -90.1086 760156.8051 -6.7205 -6.7902 PRESSURE: 812200 7.71794 -83.5728 -86.0431 -83.5721 -107.532 105.931 -86.0435 105.93 37.2425 GPRESSURE: 812200 45.0393 25.0036 -21.7608 131.541 -36.9157 124.111 -10.5034 30.7043 2.25896 PRESSAVG: 812200 17.92 -1.76189 -35.8745 -1.76189 -49.7251 -9.41827 -35.8744 -9.41835 -7.62181 GPRESSAVG: 812200 17.4264 -0.696512 -37.4986 -0.234658 -50.4021 -10.5181 -32.6587 -12.2874 -6.41695 TIMING: 812200 CPU: 2628.21, 0.00315804/step Wall: 2628.21, 0.00315804/step, 3.67368 hours remaining, 231.015625 MB of memory in use. ENERGY: 812200 4010.9755 20363.9406 14488.8594 270.5249 -203122.7145 2422.9258 0.0000 0.0000 51766.3084 -109799.1799 297.5017 -161565.4883 -109440.2960 298.9852 -20.8570 3.4609 761573.4125 -13.1423 -13.1309 LDB: ============= START OF LOAD BALANCING ============== 2640.63 LDB: ============== END OF LOAD BALANCING =============== 2640.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2640.63 LDB: ============= START OF LOAD BALANCING ============== 2640.95 LDB: Largest compute 7075 load 0.035793 is 18.4% of average load 0.195041 LDB: Average compute 0.004403 is 2.3% of average load 0.195041 LDB: TIME 2640.95 LOAD: AVG 0.195041 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.617 MB LDB: TIME 2640.95 LOAD: AVG 0.195041 MAX 0.216245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.824 MB LDB: TIME 2640.95 LOAD: AVG 0.195041 MAX 0.216245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.824 MB LDB: ============== END OF LOAD BALANCING =============== 2640.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2640.96 PRESSURE: 812400 72.3517 -42.1565 -44.6977 -42.1573 -147.617 7.02593 -44.6977 7.02592 58.2608 GPRESSURE: 812400 107.363 -29.3222 -28.5132 -71.0359 -58.7031 99.7113 -21.8843 52.585 25.8271 PRESSAVG: 812400 18.2472 -73.3826 -52.6929 -73.3826 -25.6367 -12.7949 -52.6929 -12.7948 9.7747 GPRESSAVG: 812400 20.1367 -74.7891 -51.1056 -73.9257 -25.5757 -11.4181 -53.2385 -10.1289 8.2239 TIMING: 812400 CPU: 2628.85, 0.00322443/step Wall: 2628.85, 0.00322443/step, 3.75072 hours remaining, 232.097656 MB of memory in use. ENERGY: 812400 3942.2637 20541.6014 14451.9426 237.4160 -203361.2837 2553.3554 0.0000 0.0000 51907.4523 -109727.2523 298.3128 -161634.7046 -109363.6797 298.2985 -5.6683 24.8289 758113.3662 0.7951 0.9283 PRESSURE: 812600 -92.6295 -0.61077 184.113 -0.610556 -438.771 9.0691 184.113 9.06816 -32.0727 GPRESSURE: 812600 -150.028 -24.6514 90.2296 -64.6725 -306.987 -25.2821 171.435 -89.5466 -27.5226 PRESSAVG: 812600 9.05179 -52.9481 -30.4769 -52.9481 1.74711 0.687371 -30.4769 0.687309 -5.41508 GPRESSAVG: 812600 7.58451 -53.2687 -29.8242 -53.1904 2.88868 -0.402286 -33.9869 0.623527 -5.04298 TIMING: 812600 CPU: 2629.48, 0.00313992/step Wall: 2629.48, 0.00313992/step, 3.65224 hours remaining, 232.574219 MB of memory in use. ENERGY: 812600 3901.6650 20665.3496 14407.5660 240.5775 -203463.5152 2469.4019 0.0000 0.0000 51869.9813 -109908.9739 298.0975 -161778.9552 -109549.2739 298.5104 -187.8243 -161.5126 758446.8101 1.7946 1.8101 PRESSURE: 812800 -434.193 -8.47037 197.03 -8.46994 -166.372 1.84744 197.029 1.84759 -205.112 GPRESSURE: 812800 -328.411 1.1084 164.145 16.4221 -212.925 -33.0057 258.365 -2.28705 -189.837 PRESSAVG: 812800 18.4024 -58.3387 -53.1772 -58.3387 -23.4871 -19.6497 -53.1773 -19.6497 2.72883 GPRESSAVG: 812800 18.9399 -60.3353 -55.2421 -56.2063 -24.992 -20.2037 -49.4079 -21.9862 4.01499 TIMING: 812800 CPU: 2630.11, 0.00315508/step Wall: 2630.11, 0.00315508/step, 3.66971 hours remaining, 232.574219 MB of memory in use. ENERGY: 812800 4061.6344 20537.1205 14350.9963 255.1945 -203234.2085 2383.1336 0.0000 0.0000 51962.5331 -109683.5961 298.6294 -161646.1292 -109321.9450 298.8713 -268.5591 -243.7240 761862.3469 -0.7853 -0.6791 PRESSURE: 813000 175.647 -163.764 -208.972 -163.764 129.14 -179.986 -208.972 -179.985 -237.819 GPRESSURE: 813000 222.929 -258.457 -283.941 -64.4373 148.408 -226.278 -34.0417 21.2847 -210.424 PRESSAVG: 813000 8.28158 -70.2557 1.57454 -70.2557 9.07904 -52.727 1.57457 -52.7269 -2.09504 GPRESSAVG: 813000 6.98614 -67.5944 0.358905 -72.9724 10.6099 -52.099 1.54725 -50.1327 -2.84227 TIMING: 813000 CPU: 2630.75, 0.00316821/step Wall: 2630.75, 0.00316821/step, 3.68481 hours remaining, 232.574219 MB of memory in use. ENERGY: 813000 3982.2994 20600.6775 14442.4306 240.9694 -203177.2230 2333.2328 0.0000 0.0000 51866.9644 -109710.6489 298.0802 -161577.6133 -109354.6025 299.0516 22.3225 53.6377 760383.2634 5.0885 4.9179 PRESSURE: 813200 -62.7135 -122.311 229.918 -122.311 -76.0876 -79.6024 229.918 -79.6014 -44.4805 GPRESSURE: 813200 70.5436 -72.5941 173.386 -131.81 -97.9224 -152.363 194.833 -98.7637 -46.2302 PRESSAVG: 813200 5.00176 -71.3286 -26.1025 -71.3286 -34.1101 -10.9924 -26.1025 -10.9924 -6.82936 GPRESSAVG: 813200 6.64644 -71.1759 -24.9329 -70.5177 -36.2671 -10.9024 -29.9369 -12.1708 -6.36871 TIMING: 813200 CPU: 2631.37, 0.00313244/step Wall: 2631.37, 0.00313244/step, 3.64303 hours remaining, 232.574219 MB of memory in use. ENERGY: 813200 4017.5414 20492.6343 14407.2631 256.7363 -203349.1551 2306.8512 0.0000 0.0000 51905.0942 -109963.0346 298.2993 -161868.1288 -109606.2585 299.1185 -61.0939 -24.5364 759171.6125 -11.9792 -11.9965 PRESSURE: 813400 464.789 21.772 28.9038 21.7716 -348.569 61.1505 28.9032 61.152 161.694 GPRESSURE: 813400 360.58 90.6239 -7.17901 142.972 -221.095 4.79924 -7.94052 254.826 227.975 PRESSAVG: 813400 63.622 -11.3246 -31.4126 -11.3246 -81.596 1.95758 -31.4125 1.95764 9.98544 GPRESSAVG: 813400 63.0969 -11.6807 -32.4652 -9.42593 -79.8224 0.0995411 -29.3525 1.50394 9.05273 TIMING: 813400 CPU: 2632.01, 0.00317061/step Wall: 2632.01, 0.00317061/step, 3.68725 hours remaining, 232.574219 MB of memory in use. ENERGY: 813400 3897.1035 20393.6709 14422.1583 234.0177 -203498.7551 2360.5950 0.0000 0.0000 52038.3432 -110152.8664 299.0651 -162191.2096 -109783.9895 298.4056 92.6380 122.4865 757918.2108 -2.6629 -2.5576 PRESSURE: 813600 14.0006 -208.673 21.8135 -208.674 32.1814 125.28 21.8139 125.28 -304.576 GPRESSURE: 813600 64.1143 -310.928 53.1498 -268.991 73.9666 180.986 1.96307 28.8427 -306.593 PRESSAVG: 813600 15.0839 -59.2039 -15.9792 -59.2039 -45.8715 40.3769 -15.9792 40.3768 9.18892 GPRESSAVG: 813600 14.347 -57.9431 -13.5997 -61.4185 -45.967 40.7053 -16.7691 40.5546 9.95385 TIMING: 813600 CPU: 2632.64, 0.00314027/step Wall: 2632.64, 0.00314028/step, 3.65179 hours remaining, 232.574219 MB of memory in use. ENERGY: 813600 3974.0807 20586.6958 14410.7289 261.4325 -203805.4106 2416.2247 0.0000 0.0000 51957.4296 -110198.8184 298.6001 -162156.2480 -109846.5714 298.0701 -86.1314 -56.1707 758423.7769 -7.1996 -7.2220 PRESSURE: 813800 102.342 29.1584 -27.3632 29.1581 -147.972 108.417 -27.3632 108.418 86.1025 GPRESSURE: 813800 67.467 125.13 -58.5114 116.336 -66.5083 193.955 40.2893 -47.5689 122.099 PRESSAVG: 813800 -20.3297 -61.0946 20.1232 -61.0947 19.8559 45.1309 20.1232 45.131 3.17783 GPRESSAVG: 813800 -20.4703 -61.6404 19.1057 -59.3661 20.0838 46.0071 21.9817 43.4599 3.186 TIMING: 813800 CPU: 2633.27, 0.00316832/step Wall: 2633.27, 0.00316832/step, 3.68423 hours remaining, 232.574219 MB of memory in use. ENERGY: 813800 3952.3652 20499.1561 14434.1249 235.8332 -203890.2965 2468.3441 0.0000 0.0000 52281.0546 -110019.4184 300.4599 -162300.4730 -109656.8376 298.9296 13.4909 41.0192 758444.7165 0.9013 0.9332 PRESSURE: 814000 114.87 91.4388 48.8563 91.4377 85.5214 199.483 48.856 199.482 357.575 GPRESSURE: 814000 255.947 46.4261 62.7077 102.265 181.002 192.124 20.6591 185.492 214.974 PRESSAVG: 814000 16.895 -25.5638 -14.7551 -25.5637 6.04053 17.4834 -14.7552 17.4834 33.6551 GPRESSAVG: 814000 18.0314 -25.6139 -14.7055 -26.8756 4.59625 16.6613 -16.6385 18.9522 33.7952 TIMING: 814000 CPU: 2633.9, 0.00315705/step Wall: 2633.9, 0.00315705/step, 3.67094 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 814000 4002.6969 20505.0097 14438.5747 245.5234 -203909.2333 2861.9385 0.0000 0.0000 51773.6130 -110081.8772 297.5437 -161855.4901 -109726.0924 298.8749 185.9888 217.3078 758356.2876 18.8636 18.8076 PRESSURE: 814200 -60.3811 -42.4579 103.3 -42.4582 52.5742 -36.8574 103.301 -36.857 -150.014 GPRESSURE: 814200 -61.6583 -38.4762 73.9118 20.5086 179.842 -21.7651 16.313 46.9364 -170.636 PRESSAVG: 814200 18.2819 -49.9419 -6.53949 -49.9419 26.2132 -15.8351 -6.53946 -15.8351 -13.294 GPRESSAVG: 814200 18.2326 -50.3339 -7.05626 -50.108 27.5332 -16.479 -3.93055 -16.0144 -14.1372 TIMING: 814200 CPU: 2634.53, 0.00315473/step Wall: 2634.53, 0.00315473/step, 3.66808 hours remaining, 232.574219 MB of memory in use. ENERGY: 814200 3979.2039 20536.3672 14424.5015 251.4545 -203576.8450 2353.3704 0.0000 0.0000 52011.3360 -110020.6116 298.9099 -162031.9476 -109661.0238 298.7136 -52.6071 -17.4839 757307.4589 10.4003 10.5429 PRESSURE: 814400 -251.271 -71.5477 54.7495 -71.5475 -200.079 204.481 54.7493 204.481 -105.845 GPRESSURE: 814400 -213.138 -84.5909 105.553 -47.7528 -117.012 219.569 -34.5938 134.478 -123.433 PRESSAVG: 814400 3.48244 -10.9984 25.6347 -10.9984 0.523067 57.6377 25.6346 57.6378 -1.70548 GPRESSAVG: 814400 2.56178 -11.6635 25.575 -10.6903 0.790323 59.329 24.9376 56.6824 -1.10531 TIMING: 814400 CPU: 2635.17, 0.00317822/step Wall: 2635.17, 0.00317822/step, 3.69521 hours remaining, 232.574219 MB of memory in use. ENERGY: 814400 3911.9280 20511.2045 14485.6804 256.0877 -203368.9130 2284.8716 0.0000 0.0000 52091.1559 -109827.9849 299.3686 -161919.1408 -109472.8656 298.7671 -185.7317 -151.1945 759526.8339 0.7667 0.7489 PRESSURE: 814600 -118.409 -32.5411 7.27364 -32.5419 -168.856 201.036 7.27329 201.036 -446.063 GPRESSURE: 814600 -170.964 -136.828 -22.6228 79.2834 -85.4328 193.642 -5.72199 131.436 -400.09 PRESSAVG: 814600 -10.2265 35.0638 -5.57524 35.0638 16.3058 22.6481 -5.57534 22.6481 2.01428 GPRESSAVG: 814600 -9.76044 37.3132 -5.93685 33.5459 15.0228 22.5452 -7.20969 22.2518 2.82265 TIMING: 814600 CPU: 2635.8, 0.00315014/step Wall: 2635.8, 0.00315014/step, 3.66239 hours remaining, 232.574219 MB of memory in use. ENERGY: 814600 3950.7031 20512.3301 14472.3574 253.5658 -203165.4436 2149.2474 0.0000 0.0000 51967.4424 -109859.7974 298.6576 -161827.2398 -109496.6726 298.6441 -244.4429 -218.8292 762059.4475 2.6979 2.6950 PRESSURE: 814800 134.029 217.21 -132.26 217.209 266.032 -273.218 -132.26 -273.219 55.7949 GPRESSURE: 814800 199.682 209.075 -90.4953 250.109 299.143 -219.698 -1.72304 -256.395 33.943 PRESSAVG: 814800 1.74708 -39.6668 14.5705 -39.6668 -35.96 -31.631 14.5705 -31.6309 8.06813 GPRESSAVG: 814800 2.03147 -40.9051 15.279 -38.8082 -35.8704 -29.6764 13.7243 -32.3665 7.55687 TIMING: 814800 CPU: 2636.43, 0.00314687/step Wall: 2636.43, 0.00314687/step, 3.65841 hours remaining, 232.777344 MB of memory in use. ENERGY: 814800 3906.6365 20559.4205 14414.7738 254.4780 -203433.8039 2451.1779 0.0000 0.0000 51821.6908 -110025.6263 297.8200 -161847.3172 -109667.7145 298.5527 151.9521 177.5895 760591.6831 -8.7149 -8.7607 PRESSURE: 815000 -61.5456 -29.4846 -20.3989 -29.4845 23.4187 -112.56 -20.3997 -112.561 -264.899 GPRESSURE: 815000 -21.4999 32.4216 49.7821 40.6431 55.6858 -138.953 40.1791 -96.8556 -278.419 PRESSAVG: 815000 33.0736 -18.1588 -41.3288 -18.1588 -7.70215 -71.2433 -41.3288 -71.2433 8.88772 GPRESSAVG: 815000 31.8163 -17.6534 -42.1469 -17.2264 -7.2677 -72.2784 -38.9373 -71.1455 9.18988 TIMING: 815000 CPU: 2637.05, 0.00313206/step Wall: 2637.05, 0.00313206/step, 3.64102 hours remaining, 232.777344 MB of memory in use. ENERGY: 815000 3963.0628 20469.1613 14462.9664 248.7447 -203400.1645 2326.3758 0.0000 0.0000 51719.9482 -110209.9054 297.2353 -161929.8536 -109840.4762 297.8806 -101.0086 -81.4111 761998.7828 11.4197 11.2461 PRESSURE: 815200 85.5753 -142.882 109.303 -142.882 159.202 155.731 109.304 155.733 158.924 GPRESSURE: 815200 169.568 -167.901 47.0761 -179.448 192.127 193.517 31.013 106.68 142.422 PRESSAVG: 815200 41.3675 -47.0165 -11.9258 -47.0166 -35.4446 -10.0616 -11.9258 -10.0616 30.7863 GPRESSAVG: 815200 42.7912 -46.2399 -11.1361 -47.8143 -36.1144 -8.73718 -12.6734 -10.3266 29.743 TIMING: 815200 CPU: 2637.68, 0.0031462/step Wall: 2637.68, 0.0031462/step, 3.65728 hours remaining, 232.777344 MB of memory in use. ENERGY: 815200 3972.0917 20404.8976 14448.9001 257.2466 -203729.1719 2657.2958 0.0000 0.0000 51832.8210 -110155.9190 297.8839 -161988.7400 -109792.9152 298.1733 134.5670 168.0391 760376.2663 12.2364 12.1399 PRESSURE: 815400 -100.568 -176.128 145.229 -176.129 -127.963 238.931 145.229 238.931 -429.507 GPRESSURE: 815400 -7.10478 -95.93 137.218 -80.9134 -142.495 198.158 190.811 212.128 -409.337 PRESSAVG: 815400 34.9875 -53.3561 1.98894 -53.3561 -19.3369 2.05936 1.98889 2.05942 -4.7031 GPRESSAVG: 815400 33.3628 -54.2635 0.419626 -53.0198 -19.1624 -0.345804 1.88622 4.80512 -3.09593 TIMING: 815400 CPU: 2638.31, 0.00313844/step Wall: 2638.31, 0.00313844/step, 3.64808 hours remaining, 232.777344 MB of memory in use. ENERGY: 815400 3961.1326 20599.6483 14462.5104 250.9387 -203577.7412 2379.2875 0.0000 0.0000 51922.9575 -110001.2662 298.4020 -161924.2237 -109637.6910 298.1265 -219.3460 -186.3124 761737.0713 3.6492 3.7015 PRESSURE: 815600 -380.628 -80.5505 -44.4188 -80.5505 269.101 55.4574 -44.4194 55.4572 -308.762 GPRESSURE: 815600 -234.583 -118.402 -21.4879 -119.237 209.329 17.0343 27.2951 10.0534 -294.773 PRESSAVG: 815600 24.3183 -30.5159 -16.6197 -30.516 -13.565 -35.0193 -16.6198 -35.0193 12.6831 GPRESSAVG: 815600 25.2088 -30.5636 -14.4911 -31.1662 -13.9933 -34.8619 -17.6522 -35.5026 11.7823 TIMING: 815600 CPU: 2638.94, 0.00313486/step Wall: 2638.94, 0.00313486/step, 3.64376 hours remaining, 232.777344 MB of memory in use. ENERGY: 815600 4027.9842 20525.2080 14505.9425 254.9618 -203579.4281 2476.4950 0.0000 0.0000 51863.2812 -109925.5554 298.0590 -161788.8366 -109571.2481 298.3257 -140.0963 -106.6758 762308.6488 7.8121 7.6659 PRESSURE: 815800 378.462 7.58847 29.204 7.58852 220.363 -220.836 29.2044 -220.836 -82.4098 GPRESSURE: 815800 446.217 67.259 5.59685 60.6218 238.898 -248.417 90.9402 -281.042 -93.0721 PRESSAVG: 815800 2.22063 -47.0356 25.2488 -47.0356 -17.3728 -31.2925 25.2488 -31.2925 -5.12673 GPRESSAVG: 815800 2.00082 -47.5429 23.0489 -45.4458 -16.6341 -30.7039 26.942 -31.1507 -5.42079 TIMING: 815800 CPU: 2639.56, 0.00313377/step Wall: 2639.56, 0.00313377/step, 3.64231 hours remaining, 232.777344 MB of memory in use. ENERGY: 815800 3968.5803 20463.1807 14445.3298 241.1225 -203685.8825 2763.6594 0.0000 0.0000 51728.0583 -110075.9514 297.2819 -161804.0098 -109715.4344 298.4410 172.1382 197.3476 760003.9389 -6.7596 -6.6847 PRESSURE: 816000 6.84501 -57.7629 -72.5138 -57.7628 -318.754 -71.1232 -72.5143 -71.1226 -354.635 GPRESSURE: 816000 -50.9716 -133.093 8.03029 -17.9858 -216.133 -77.889 -98.6753 -27.8593 -317.18 PRESSAVG: 816000 7.88075 11.5309 -2.14637 11.5309 0.821307 35.4081 -2.1463 35.4081 -5.5665 GPRESSAVG: 816000 7.06767 12.9107 -2.54422 11.0836 1.36568 34.4775 -2.83986 34.0406 -6.24637 TIMING: 816000 CPU: 2640.19, 0.00313741/step Wall: 2640.19, 0.00313741/step, 3.64637 hours remaining, 232.777344 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: 816000 3894.7361 20474.2215 14422.1081 249.6578 -203620.1598 2448.8863 0.0000 0.0000 52069.8886 -110060.6615 299.2464 -162130.5501 -109696.3160 298.4971 -222.1815 -194.7615 760630.1972 1.0452 0.7290 PRESSURE: 816200 -25.8537 42.4567 -36.5012 42.457 -229.071 23.5693 -36.5011 23.5681 -336.892 GPRESSURE: 816200 -21.2141 65.8252 -12.1172 63.225 -147.157 28.1532 -144.691 -54.3979 -324.399 PRESSAVG: 816200 21.7978 -60.8313 -9.50194 -60.8312 -62.4828 4.81012 -9.50192 4.81011 -10.4378 GPRESSAVG: 816200 22.544 -60.8944 -8.36092 -63.5389 -63.1842 6.34307 -9.90179 5.82626 -10.4159 TIMING: 816200 CPU: 2640.82, 0.00314036/step Wall: 2640.82, 0.00314036/step, 3.64962 hours remaining, 232.777344 MB of memory in use. ENERGY: 816200 3962.6652 20538.0808 14398.7280 261.0080 -203819.4161 2681.9758 0.0000 0.0000 51888.2194 -110088.7389 298.2023 -161976.9583 -109732.8674 298.2407 -197.2721 -164.2569 761389.2773 -17.0409 -17.0187 LDB: ============= START OF LOAD BALANCING ============== 2653.24 LDB: ============== END OF LOAD BALANCING =============== 2653.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2653.24 LDB: ============= START OF LOAD BALANCING ============== 2653.56 LDB: Largest compute 7075 load 0.034798 is 17.8% of average load 0.195089 LDB: Average compute 0.004409 is 2.3% of average load 0.195089 LDB: TIME 2653.56 LOAD: AVG 0.195089 MAX 0.214771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 2653.56 LOAD: AVG 0.195089 MAX 0.214771 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.793 MB LDB: TIME 2653.56 LOAD: AVG 0.195089 MAX 0.214771 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.793 MB LDB: ============== END OF LOAD BALANCING =============== 2653.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2653.57 PRESSURE: 816400 -63.8069 135.589 32.1478 135.589 -294.411 -24.8767 32.1476 -24.876 8.73934 GPRESSURE: 816400 -79.0716 157.754 49.2456 56.1311 -190.843 60.7429 -11.6785 -108.066 -2.19772 PRESSAVG: 816400 2.90061 -15.7195 -35.7067 -15.7195 53.1576 -23.0315 -35.7067 -23.0316 -7.80953 GPRESSAVG: 816400 1.67187 -15.7379 -36.1741 -14.5642 53.772 -23.8974 -36.1081 -23.0427 -7.13777 TIMING: 816400 CPU: 2641.46, 0.00322165/step Wall: 2641.46, 0.00322164/step, 3.74391 hours remaining, 231.125000 MB of memory in use. ENERGY: 816400 3957.1526 20303.3985 14386.6720 262.8686 -203777.1853 2742.1550 0.0000 0.0000 52170.8792 -109954.0593 299.8268 -162124.9386 -109583.4083 298.1118 -116.4929 -90.7041 760978.4508 16.0829 16.1020 PRESSURE: 816600 -147.962 153.315 -20.6009 153.316 216.188 -132.869 -20.602 -132.869 -223.206 GPRESSURE: 816600 -4.41479 192.812 -91.9312 168.327 168.736 -146.873 98.0286 -183.662 -237.153 PRESSAVG: 816600 -7.31778 -21.7699 33.3464 -21.7698 -13.7169 -8.46932 33.3464 -8.46928 4.39637 GPRESSAVG: 816600 -6.27264 -23.1141 33.5867 -21.2647 -14.2642 -8.50018 33.6754 -8.99239 4.00229 TIMING: 816600 CPU: 2642.1, 0.00316592/step Wall: 2642.1, 0.00316592/step, 3.67898 hours remaining, 231.601562 MB of memory in use. ENERGY: 816600 3964.3119 20569.9930 14465.5166 239.8284 -203479.2232 2473.9920 0.0000 0.0000 51942.5108 -109823.0705 298.5143 -161765.5813 -109465.9846 299.0803 -51.6602 -24.2771 759803.7028 -5.5461 -5.5115 PRESSURE: 816800 -107.274 -102.983 63.1349 -102.983 -127.66 319.449 63.1338 319.45 19.2986 GPRESSURE: 816800 -136.008 -107.317 32.4661 -130.073 -141.698 293.554 132.545 294.827 145.268 PRESSAVG: 816800 -31.6017 9.3082 46.2645 9.30819 24.1684 -23.8526 46.2645 -23.8526 17.1257 GPRESSAVG: 816800 -32.4424 12.6685 45.8185 9.49823 23.0264 -22.6563 47.8291 -24.551 18.9372 TIMING: 816800 CPU: 2642.73, 0.00315511/step Wall: 2642.73, 0.00315511/step, 3.66623 hours remaining, 231.601562 MB of memory in use. ENERGY: 816800 4004.6527 20398.3555 14409.4029 268.6592 -203285.8347 2266.0462 0.0000 0.0000 52355.7027 -109583.0155 300.8889 -161938.7182 -109210.6190 299.4590 -71.8784 -44.1460 758764.9007 3.2308 3.1737 PRESSURE: 817000 264.395 1.1582 -139.401 1.15784 -248.562 -101.485 -139.401 -101.484 48.9503 GPRESSURE: 817000 373.18 -13.8008 -202.354 22.4434 -199.13 -12.6178 -53.8558 -76.1787 9.11052 PRESSAVG: 817000 -0.702994 -33.5512 18.6083 -33.5513 17.5674 26.3167 18.6082 26.3168 -6.80861 GPRESSAVG: 817000 -0.261905 -35.4888 18.874 -35.8998 18.6691 26.7534 17.6856 25.6427 -7.93509 TIMING: 817000 CPU: 2643.36, 0.00315549/step Wall: 2643.36, 0.00315549/step, 3.6665 hours remaining, 231.601562 MB of memory in use. ENERGY: 817000 3961.3903 20409.7961 14482.2536 253.9851 -203386.9277 2645.9330 0.0000 0.0000 52008.2948 -109625.2748 298.8924 -161633.5697 -109265.4129 299.5580 21.5944 61.0533 759172.0724 3.3519 3.4907 PRESSURE: 817200 -15.5928 -165.349 210.998 -165.35 182.709 103.985 210.998 103.985 143.736 GPRESSURE: 817200 70.176 -125.479 165.506 -86.2428 178.653 40.8541 207.117 219.43 131.133 PRESSAVG: 817200 -29.2002 1.20595 18.542 1.20594 33.184 17.7393 18.542 17.7394 -18.0821 GPRESSAVG: 817200 -28.1414 1.46108 17.5249 2.70652 32.4429 16.8289 19.6977 18.2804 -18.468 TIMING: 817200 CPU: 2643.99, 0.0031571/step Wall: 2643.99, 0.0031571/step, 3.6682 hours remaining, 231.601562 MB of memory in use. ENERGY: 817200 3922.5121 20518.0917 14453.5154 251.8909 -203158.8133 2217.4659 0.0000 0.0000 52190.9273 -109604.4101 299.9420 -161795.3373 -109242.3247 299.7570 103.6176 126.6537 759243.3344 -4.6994 -4.7222 PRESSURE: 817400 -72.6302 46.8138 117.267 46.8136 -256.687 30.7131 117.268 30.7128 -355.119 GPRESSURE: 817400 -99.401 7.79668 112.201 -4.41253 -181.245 33.9426 215.297 -14.0791 -337.017 PRESSAVG: 817400 -37.6496 20.7803 64.8043 20.7803 12.8655 49.8257 64.8043 49.8257 18.6786 GPRESSAVG: 817400 -39.5098 18.7802 65.7744 21.5594 14.185 50.4257 64.8423 49.8482 18.8322 TIMING: 817400 CPU: 2644.61, 0.00312466/step Wall: 2644.61, 0.00312466/step, 3.63034 hours remaining, 231.804688 MB of memory in use. ENERGY: 817400 3955.3658 20512.4920 14440.6631 227.6706 -203459.2022 2266.1085 0.0000 0.0000 52321.5195 -109735.3826 300.6925 -162056.9021 -109371.4325 299.8108 -228.1453 -205.8877 760733.0730 -2.0352 -2.1642 PRESSURE: 817600 27.3748 15.5753 -237.829 15.5751 443.596 163.007 -237.829 163.007 -217.977 GPRESSURE: 817600 77.181 -106.764 -105.022 49.1875 422.346 181.187 -240.166 105.26 -165.357 PRESSAVG: 817600 7.89869 -11.4265 23.8278 -11.4266 -7.17848 58.6914 23.8278 58.6913 -18.3731 GPRESSAVG: 817600 8.39786 -11.1317 23.9985 -11.426 -8.34434 58.0298 23.7797 58.7969 -18.1387 TIMING: 817600 CPU: 2645.24, 0.00314113/step Wall: 2645.24, 0.00314113/step, 3.6493 hours remaining, 231.804688 MB of memory in use. ENERGY: 817600 4049.8346 20479.7401 14361.4090 231.7812 -203725.4250 2846.6308 0.0000 0.0000 52189.4153 -109566.6140 299.9333 -161756.0293 -109215.3183 299.5691 84.3312 111.3900 758851.3609 -5.8843 -6.0284 PRESSURE: 817800 -395.408 -102.584 61.8924 -102.584 -178.502 129.351 61.892 129.352 -358.428 GPRESSURE: 817800 -323.47 -74.4339 101.569 -92.9377 -118.857 152.516 52.169 115.652 -419.12 PRESSAVG: 817800 -54.6775 -6.97844 29.4262 -6.97834 35.4559 15.5394 29.4262 15.5394 23.8262 GPRESSAVG: 817800 -53.6874 -6.30453 29.6911 -6.64638 35.1249 14.6742 26.5745 17.1568 23.4906 TIMING: 817800 CPU: 2645.88, 0.00316259/step Wall: 2645.88, 0.00316259/step, 3.67405 hours remaining, 231.804688 MB of memory in use. ENERGY: 817800 4020.9626 20552.5875 14440.4217 245.0162 -203307.7220 2269.4061 0.0000 0.0000 52418.9157 -109360.4123 301.2522 -161779.3280 -109000.6484 300.2992 -310.7792 -287.1492 761586.7578 1.5349 1.6427 PRESSURE: 818000 123.05 -350.496 -86.031 -350.496 191.964 -114.101 -86.0313 -114.101 268.378 GPRESSURE: 818000 152.962 -257.444 -121.082 -276.577 260.994 -134.284 -75.4642 -42.3413 251.404 PRESSAVG: 818000 -12.8041 -7.15789 31.2498 -7.1579 -16.3755 35.9303 31.2498 35.9304 -29.8098 GPRESSAVG: 818000 -12.8158 -7.40555 30.2177 -8.54593 -15.168 36.9395 32.6877 34.1739 -30.713 TIMING: 818000 CPU: 2646.51, 0.00315946/step Wall: 2646.51, 0.00315946/step, 3.67024 hours remaining, 231.804688 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: 818000 3938.9244 20609.6212 14505.9369 229.0222 -203611.3740 2571.1002 0.0000 0.0000 52206.0454 -109550.7236 300.0289 -161756.7690 -109194.7015 299.6630 194.4642 221.7864 759423.0101 -19.6631 -19.5656 PRESSURE: 818200 24.6502 8.37607 -312.334 8.37571 346.066 84.2958 -312.334 84.2969 263.586 GPRESSURE: 818200 60.6812 81.8858 -283.028 -46.855 429.841 44.9382 -331.723 168.423 228.097 PRESSAVG: 818200 -57.0437 -27.9991 -27.3289 -27.9992 5.70149 -1.43823 -27.3289 -1.43819 4.51446 GPRESSAVG: 818200 -58.4314 -27.6092 -26.8882 -27.2948 5.67385 -3.22247 -26.8193 0.148611 5.36916 TIMING: 818200 CPU: 2647.14, 0.00314279/step Wall: 2647.14, 0.00314279/step, 3.6507 hours remaining, 231.804688 MB of memory in use. ENERGY: 818200 3982.5977 20604.3130 14408.3300 240.8612 -203759.8829 2694.8053 0.0000 0.0000 52127.4412 -109701.5345 299.5771 -161828.9757 -109328.6635 299.8053 211.4342 239.5396 759969.6991 -15.6093 -15.7961 PRESSURE: 818400 458.843 -10.3631 121.286 -10.3634 121.333 -52.8875 121.286 -52.8874 107.498 GPRESSURE: 818400 435.312 -43.6893 148.158 -156.394 207.739 -10.9408 -39.2926 -21.5152 139.908 PRESSAVG: 818400 6.08211 -45.257 31.9502 -45.2571 20.559 -12.0587 31.9502 -12.0587 11.9278 GPRESSAVG: 818400 7.09856 -45.94 30.3671 -46.1922 19.8468 -10.892 31.5492 -11.5905 11.9045 TIMING: 818400 CPU: 2647.77, 0.00314861/step Wall: 2647.77, 0.00314861/step, 3.65728 hours remaining, 231.804688 MB of memory in use. ENERGY: 818400 4028.1673 20605.2070 14467.4561 253.5325 -203775.3557 2775.5172 0.0000 0.0000 51954.2585 -109691.2171 298.5818 -161645.4755 -109336.6210 299.5735 229.2246 260.9864 758959.2136 12.8563 12.9500 PRESSURE: 818600 209.904 -71.5256 -115.516 -71.5252 21.62 -21.9511 -115.517 -21.9511 -304.238 GPRESSURE: 818600 182.151 11.4969 -83.85 60.0867 119.382 46.0915 -210.811 35.7202 -292.654 PRESSAVG: 818600 0.508829 -3.72515 60.1469 -3.72521 4.9766 18.7076 60.1469 18.7076 9.39916 GPRESSAVG: 818600 0.318559 -4.67725 61.6771 -2.03489 5.78271 18.1104 61.2164 19.2968 9.1605 TIMING: 818600 CPU: 2648.39, 0.00314575/step Wall: 2648.39, 0.00314575/step, 3.65379 hours remaining, 231.804688 MB of memory in use. ENERGY: 818600 4063.3816 20381.3397 14343.3195 232.2846 -203225.6929 2379.9061 0.0000 0.0000 52024.0484 -109801.4130 298.9829 -161825.4615 -109439.7964 299.3662 -24.2381 2.9596 760141.3418 4.9615 5.0873 PRESSURE: 818800 -129.518 -155.259 -164.246 -155.258 -176.973 -195.836 -164.247 -195.835 -90.5414 GPRESSURE: 818800 -96.146 -133.11 -100.447 -207.236 -85.1239 -200.626 -92.4782 -143.602 -125.616 PRESSAVG: 818800 -5.70652 -46.0793 2.61491 -46.0793 8.82567 30.2653 2.61488 30.2652 -1.30829 GPRESSAVG: 818800 -5.87773 -46.6179 3.12772 -47.0011 9.16759 30.6378 1.61848 26.868 -1.0547 TIMING: 818800 CPU: 2649.02, 0.00313916/step Wall: 2649.02, 0.00313916/step, 3.64596 hours remaining, 231.804688 MB of memory in use. ENERGY: 818800 4037.0863 20487.9213 14370.9770 237.1601 -203164.7513 2186.2932 0.0000 0.0000 52069.4003 -109775.9131 299.2436 -161845.3134 -109420.9627 298.9142 -132.3442 -102.2955 760764.7158 0.6036 0.7451 PRESSURE: 819000 -89.3862 10.0257 100.855 10.0259 -221.957 -123.051 100.855 -123.051 521.034 GPRESSURE: 819000 -36.9607 -63.8677 105.224 -9.73928 -176.099 -121.163 -22.1725 -149.513 523.694 PRESSAVG: 819000 68.6731 -73.4049 -6.26297 -73.405 -31.4505 11.3509 -6.26295 11.3509 -8.41943 GPRESSAVG: 819000 67.4805 -71.4898 -6.7059 -75.0887 -32.318 12.2304 -5.74575 14.628 -6.47954 TIMING: 819000 CPU: 2649.65, 0.00313177/step Wall: 2649.65, 0.00313177/step, 3.6372 hours remaining, 231.804688 MB of memory in use. ENERGY: 819000 4032.7035 20417.6437 14414.9175 234.9560 -203226.5968 2551.7036 0.0000 0.0000 51931.9699 -109642.7024 298.4537 -161574.6723 -109287.1712 299.1766 69.8971 103.5449 761596.7931 9.6010 9.5610 PRESSURE: 819200 301.038 -62.9135 -41.8149 -62.9137 162.604 279.11 -41.8148 279.111 -37.6221 GPRESSURE: 819200 328.755 65.0629 -15.4482 -80.1459 278.019 213.073 -120.046 164.899 -115.111 PRESSAVG: 819200 28.9383 -57.2051 -43.0352 -57.2051 -10.3943 31.4126 -43.0352 31.4126 -7.52153 GPRESSAVG: 819200 30.5487 -56.9623 -44.4997 -56.1428 -9.88864 30.3899 -44.2865 28.8866 -9.7274 TIMING: 819200 CPU: 2650.28, 0.00316675/step Wall: 2650.28, 0.00316675/step, 3.67765 hours remaining, 231.804688 MB of memory in use. ENERGY: 819200 3869.0176 20600.8754 14345.6178 238.0853 -203578.2420 2750.4529 0.0000 0.0000 51994.3548 -109779.8382 298.8123 -161774.1930 -109411.7730 299.2002 142.0066 163.8875 759902.8805 3.6742 3.6442 PRESSURE: 819400 226.894 183.766 92.0934 183.767 182.773 -50.5329 92.0939 -50.5329 287.946 GPRESSURE: 819400 240.827 66.8926 11.9185 143.566 195.773 -72.6058 -50.4062 -122.145 321.034 PRESSAVG: 819400 -17.9971 -16.3706 -40.0845 -16.3706 11.2476 -1.74597 -40.0844 -1.74594 -7.98563 GPRESSAVG: 819400 -20.2956 -15.8566 -37.3555 -16.4155 11.6386 -1.79354 -40.681 -1.3886 -6.46265 TIMING: 819400 CPU: 2650.91, 0.0031474/step Wall: 2650.91, 0.0031474/step, 3.65501 hours remaining, 231.804688 MB of memory in use. ENERGY: 819400 3973.0731 20554.9116 14410.8370 223.0614 -203295.3577 2491.9114 0.0000 0.0000 51917.1642 -109724.3989 298.3687 -161641.5632 -109371.7845 298.4667 232.5378 252.5446 762431.7101 -4.9117 -5.0399 PRESSURE: 819600 -236.531 8.67458 -21.8716 8.67367 -375.807 -5.19223 -21.8719 -5.19189 105.561 GPRESSURE: 819600 -196.335 -26.2031 -217.559 17.6875 -348.717 31.9508 101.426 1.29213 130.944 PRESSAVG: 819600 21.993 80.1067 -53.6046 80.1067 -7.22714 1.50237 -53.6047 1.50239 -1.59548 GPRESSAVG: 819600 22.2648 79.3027 -53.7936 79.0089 -8.35151 3.36239 -51.4798 1.06268 -0.770528 TIMING: 819600 CPU: 2651.54, 0.00313296/step Wall: 2651.54, 0.00313296/step, 3.63806 hours remaining, 231.804688 MB of memory in use. ENERGY: 819600 3927.9946 20543.5640 14378.0686 241.1232 -203290.7055 2492.9824 0.0000 0.0000 52024.2538 -109682.7189 298.9841 -161706.9727 -109325.7676 299.1890 -168.9256 -138.0359 763291.6076 4.3901 4.3809 PRESSURE: 819800 167.639 118.323 38.8145 118.323 61.576 -35.7964 38.8153 -35.7953 -43.0531 GPRESSURE: 819800 140.289 205.639 -53.519 101.21 140.45 -25.1629 40.4173 -124.71 -35.7515 PRESSAVG: 819800 34.3612 10.1824 -35.6025 10.1825 -57.9356 -23.2251 -35.6025 -23.225 -12.9705 GPRESSAVG: 819800 34.7551 9.64925 -37.1341 10.7078 -57.2727 -23.8091 -35.2488 -22.8849 -13.8857 TIMING: 819800 CPU: 2652.17, 0.00315548/step Wall: 2652.17, 0.00315548/step, 3.66404 hours remaining, 231.804688 MB of memory in use. ENERGY: 819800 3932.0965 20661.0327 14459.5371 255.1139 -203957.3310 2691.0370 0.0000 0.0000 52108.8640 -109849.6499 299.4704 -161958.5139 -109496.4556 298.8840 62.0539 81.6623 760265.5181 -12.1816 -12.1344 PRESSURE: 820000 120.495 187.452 -121.215 187.452 -28.8944 31.8041 -121.215 31.8039 49.7092 GPRESSURE: 820000 207.332 151.82 -107.96 239.152 -21.5666 24.3177 -68.5113 -14.1217 20.9115 PRESSAVG: 820000 6.22507 35.8529 4.61046 35.8529 13.4818 -33.4618 4.61051 -33.4618 -4.12851 GPRESSAVG: 820000 8.02099 33.5679 4.96026 38.8192 12.2527 -33.3007 2.7374 -34.9382 -4.6433 TIMING: 820000 CPU: 2652.8, 0.00314064/step Wall: 2652.8, 0.00314064/step, 3.64664 hours remaining, 231.804688 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: 820000 3921.5850 20475.9136 14434.5779 244.2064 -203505.1892 2611.5925 0.0000 0.0000 51884.6432 -109932.6706 298.1818 -161817.3138 -109569.6648 298.9732 47.1032 68.8923 761633.7002 5.1928 5.2101 PRESSURE: 820200 -87.9273 159.791 39.6027 159.791 77.0262 0.107694 39.603 0.108666 -243.371 GPRESSURE: 820200 -114.791 123.774 -63.3771 229.958 170.373 24.4945 -16.4471 36.0942 -232.266 PRESSAVG: 820200 -36.5134 -18.5177 10.3707 -18.5178 5.53203 33.1915 10.3707 33.1915 13.0565 GPRESSAVG: 820200 -38.3665 -17.274 10.472 -19.5156 6.87886 30.4346 11.2788 36.3369 13.3325 TIMING: 820200 CPU: 2653.42, 0.00312989/step Wall: 2653.42, 0.00312989/step, 3.63398 hours remaining, 231.804688 MB of memory in use. ENERGY: 820200 4057.5034 20442.0220 14384.1446 244.9819 -203883.0646 2862.8133 0.0000 0.0000 51949.0348 -109942.5646 298.5518 -161891.5994 -109590.1600 298.4951 -84.7573 -58.8945 761156.2620 -5.9749 -6.0517 LDB: ============= START OF LOAD BALANCING ============== 2665.84 LDB: ============== END OF LOAD BALANCING =============== 2665.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2665.85 LDB: ============= START OF LOAD BALANCING ============== 2666.16 LDB: Largest compute 7025 load 0.036823 is 18.9% of average load 0.194960 LDB: Average compute 0.004382 is 2.2% of average load 0.194960 LDB: TIME 2666.16 LOAD: AVG 0.19496 MAX 0.212972 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.074 MB LDB: TIME 2666.16 LOAD: AVG 0.19496 MAX 0.212972 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.145 MB LDB: TIME 2666.16 LOAD: AVG 0.19496 MAX 0.212972 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.145 MB LDB: ============== END OF LOAD BALANCING =============== 2666.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2666.17 PRESSURE: 820400 -86.2994 1.89549 -5.30275 1.89622 201.857 -32.4156 -5.30331 -32.4161 -42.3156 GPRESSURE: 820400 -56.2364 56.0303 -69.9103 18.1925 130.977 -20.8446 107.895 -2.39857 84.9434 PRESSAVG: 820400 4.72061 -20.6805 34.5713 -20.6805 -4.63005 -1.33057 34.5714 -1.33055 1.02012 GPRESSAVG: 820400 4.53912 -18.6925 34.4556 -21.9851 -4.23293 0.296946 34.452 -1.07041 1.19539 TIMING: 820400 CPU: 2654.07, 0.00320712/step Wall: 2654.07, 0.00320712/step, 3.72346 hours remaining, 231.964844 MB of memory in use. ENERGY: 820400 3945.6878 20397.7547 14362.9065 235.9402 -203152.4061 2561.4616 0.0000 0.0000 51828.3232 -109820.3321 297.8581 -161648.6553 -109477.8525 298.3536 24.4142 53.2279 760885.3635 0.3702 0.5005 PRESSURE: 820600 -11.5605 -18.3343 174.75 -18.3347 57.796 46.1271 174.749 46.1285 -286.9 GPRESSURE: 820600 -8.62556 -101.919 107.261 -62.5137 84.0166 -6.79902 139.375 72.892 -249.743 PRESSAVG: 820600 2.65904 4.78092 46.4032 4.78091 -12.4934 27.266 46.4031 27.266 9.92524 GPRESSAVG: 820600 3.71817 4.467 45.0432 7.19935 -13.2708 27.9136 47.0568 25.984 9.35336 TIMING: 820600 CPU: 2654.7, 0.00315465/step Wall: 2654.7, 0.00315465/step, 3.66237 hours remaining, 232.371094 MB of memory in use. ENERGY: 820600 3927.4527 20457.5272 14495.5173 237.0998 -203724.6980 2654.0000 0.0000 0.0000 51944.2541 -110008.8469 298.5243 -161953.1010 -109643.5001 297.9953 -80.2215 -58.1172 760060.1635 0.0303 -0.0664 PRESSURE: 820800 33.1251 -326.436 -260.718 -326.436 31.6334 132.985 -260.717 132.986 -45.9498 GPRESSURE: 820800 61.758 -260.508 -262.389 -198.294 84.5908 217.455 -206.633 38.5801 -48.0214 PRESSAVG: 820800 -48.4827 20.2246 -14.0101 20.2246 48.5951 -0.562286 -14.0102 -0.562318 9.02655 GPRESSAVG: 820800 -49.4316 18.0936 -12.6261 19.8133 48.5797 -0.0214878 -14.3063 -0.837837 10.2442 TIMING: 820800 CPU: 2655.33, 0.00314544/step Wall: 2655.33, 0.00314544/step, 3.6515 hours remaining, 232.371094 MB of memory in use. ENERGY: 820800 3987.6038 20417.7745 14410.2008 240.6068 -203509.2131 2525.5779 0.0000 0.0000 51978.7833 -109948.6659 298.7228 -161927.4492 -109589.1849 298.4389 6.2696 32.7758 761496.2457 3.0463 3.1307 PRESSURE: 821000 -331.169 192.232 196.014 192.232 91.0207 120.509 196.015 120.509 86.1106 GPRESSURE: 821000 -266.499 98.9264 157.737 218.733 121.171 103.537 129.116 226.478 80.4365 PRESSAVG: 821000 -37.4418 -72.1189 -22.9584 -72.1188 26.9475 6.26412 -22.9584 6.26424 -15.3899 GPRESSAVG: 821000 -38.5733 -71.6703 -23.401 -72.1392 27.4788 6.08464 -23.1889 4.45786 -14.9858 TIMING: 821000 CPU: 2655.95, 0.00314591/step Wall: 2655.95, 0.00314591/step, 3.65188 hours remaining, 232.574219 MB of memory in use. ENERGY: 821000 3973.8761 20343.1257 14393.5916 232.0290 -203304.8055 2350.8703 0.0000 0.0000 52122.0181 -109889.2946 299.5460 -162011.3128 -109526.8845 298.1014 -51.3460 -21.6308 763231.7151 -8.6281 -8.6934 PRESSURE: 821200 137.079 -362.543 -104.09 -362.543 180.174 64.1931 -104.091 64.194 -218.962 GPRESSURE: 821200 130.434 -395.833 -37.9051 -277.677 203.945 162.244 -32.2523 85.9415 -156.984 PRESSAVG: 821200 22.3267 -18.1212 -4.07526 -18.1211 59.73 95.1924 -4.07524 95.1925 -12.362 GPRESSAVG: 821200 23.1332 -17.5634 -4.07486 -19.1129 58.3843 93.7135 -3.63671 96.7881 -12.6848 TIMING: 821200 CPU: 2656.6, 0.00321687/step Wall: 2656.6, 0.00321687/step, 3.73407 hours remaining, 232.574219 MB of memory in use. ENERGY: 821200 3997.2864 20569.9943 14360.1349 231.8946 -203602.7117 2791.4639 0.0000 0.0000 51861.5809 -109790.3567 298.0492 -161651.9376 -109433.7889 298.6838 32.7639 59.1316 762699.5077 23.2315 22.9443 PRESSURE: 821400 -16.3201 90.0642 26.9251 90.0646 148.299 14.872 26.926 14.8697 -211.583 GPRESSURE: 821400 115.911 20.2048 51.9031 4.34549 62.1118 8.96331 33.6981 64.4686 -162.399 PRESSAVG: 821400 13.9312 -34.7291 15.0972 -34.729 -8.26945 42.1893 15.0972 42.1892 18.7925 GPRESSAVG: 821400 15.1938 -35.3485 15.9379 -33.6241 -9.49971 42.4504 14.4966 41.1852 18.9207 TIMING: 821400 CPU: 2657.23, 0.00317114/step Wall: 2657.23, 0.00317114/step, 3.68081 hours remaining, 232.574219 MB of memory in use. ENERGY: 821400 3996.1954 20428.5322 14430.0574 241.1863 -203471.1760 2668.7688 0.0000 0.0000 52143.4453 -109562.9905 299.6691 -161706.4358 -109203.7654 299.0067 -26.5346 5.2080 763644.3426 8.1514 8.2049 PRESSURE: 821600 -98.2609 -71.5597 -90.9435 -71.5595 46.638 57.0067 -90.9438 57.0072 260.856 GPRESSURE: 821600 -49.6126 -78.2754 -128.295 14.0103 106.283 70.3636 -76.6533 -31.8037 241.693 PRESSAVG: 821600 21.4662 -60.3715 -12.9981 -60.3715 -16.5384 -28.6222 -12.9981 -28.6222 -11.7883 GPRESSAVG: 821600 21.7739 -59.7379 -16.627 -61.4174 -15.8513 -27.9646 -8.64891 -28.1391 -12.845 TIMING: 821600 CPU: 2657.86, 0.00315944/step Wall: 2657.86, 0.00315944/step, 3.66705 hours remaining, 232.574219 MB of memory in use. ENERGY: 821600 3957.7372 20445.2853 14427.9449 256.6919 -203033.5208 2439.3678 0.0000 0.0000 52112.1138 -109394.3799 299.4890 -161506.4937 -109038.0371 299.6172 69.7442 99.4547 763320.9431 -2.2868 -2.3075 PRESSURE: 821800 171.211 38.614 -150.841 38.6132 -85.9529 155.152 -150.84 155.152 -60.558 GPRESSURE: 821800 230.399 33.4164 -134.127 -7.99936 6.80421 129.831 -65.7935 39.7112 -116.541 PRESSAVG: 821800 20.6317 -78.6137 -17.2613 -78.6137 -62.5392 -1.99107 -17.2613 -1.99107 11.6201 GPRESSAVG: 821800 19.1817 -79.1522 -15.7608 -77.4626 -61.5305 -3.21583 -21.4067 -2.6872 11.6741 TIMING: 821800 CPU: 2658.5, 0.00317375/step Wall: 2658.5, 0.00317375/step, 3.68349 hours remaining, 232.574219 MB of memory in use. ENERGY: 821800 4060.2931 20503.3246 14421.9825 245.9253 -202845.8964 2277.5871 0.0000 0.0000 51967.1627 -109369.6210 298.6560 -161336.7838 -109010.6621 299.7006 8.2333 40.2208 762301.0881 -10.0958 -10.2249 PRESSURE: 822000 -229.033 128.107 -144.92 128.108 -328.506 -213.596 -144.92 -213.596 -419.558 GPRESSURE: 822000 -312.12 80.3841 -132.831 128.283 -226.437 -189.147 -73.2038 -183.628 -349.054 PRESSAVG: 822000 39.3459 -36.9423 -2.93984 -36.9423 -24.5602 -32.9289 -2.93984 -32.9289 12.1523 GPRESSAVG: 822000 38.2152 -36.1531 -0.143474 -37.8603 -24.1071 -32.5415 -3.25812 -33.0526 12.2284 TIMING: 822000 CPU: 2659.13, 0.00316832/step Wall: 2659.13, 0.00316832/step, 3.67702 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 4073.3852 20386.0566 14369.1819 240.2066 -202631.4812 2100.0840 0.0000 0.0000 52127.0472 -109335.5197 299.5749 -161462.5669 -108968.1341 299.5699 -325.6990 -295.8703 762730.1121 8.9793 8.7788 PRESSURE: 822200 -39.4368 -67.6597 123.079 -67.6605 -45.9452 262.394 123.078 262.395 -131.18 GPRESSURE: 822200 -7.98826 -92.3314 38.1742 -174.163 12.2816 277.762 61.2396 237.003 -118.506 PRESSAVG: 822200 2.40968 -19.3373 19.1839 -19.3373 -14.2651 -16.9195 19.1839 -16.9196 -31.5551 GPRESSAVG: 822200 1.00093 -20.1048 17.4006 -19.7124 -14.4513 -15.8652 20.4241 -16.8276 -30.4323 TIMING: 822200 CPU: 2659.77, 0.00317456/step Wall: 2659.77, 0.00317456/step, 3.68408 hours remaining, 232.574219 MB of memory in use. ENERGY: 822200 4059.3982 20458.7427 14357.8030 223.2705 -203182.0727 2509.9679 0.0000 0.0000 52152.5528 -109420.3376 299.7214 -161572.8904 -109063.3034 299.4060 -72.1875 -38.0710 761360.3452 -14.4702 -14.6276 PRESSURE: 822400 251.66 -132.633 25.5161 -132.633 -57.3734 -152.757 25.5156 -152.757 225.248 GPRESSURE: 822400 280.205 -201.764 23.8434 -79.0381 -21.1777 -60.5003 61.6057 -252.049 237.282 PRESSAVG: 822400 13.3453 -35.3212 -20.091 -35.3212 -9.35256 -10.3952 -20.091 -10.3952 21.9928 GPRESSAVG: 822400 15.3798 -35.4578 -17.2309 -37.1977 -10.4154 -11.6887 -20.5933 -8.25224 21.41 TIMING: 822400 CPU: 2660.4, 0.00314769/step Wall: 2660.4, 0.00314769/step, 3.65271 hours remaining, 232.574219 MB of memory in use. ENERGY: 822400 3984.1021 20375.3357 14362.5086 260.8342 -203213.4222 2674.4334 0.0000 0.0000 52108.1003 -109448.1079 299.4660 -161556.2082 -109082.6286 299.3614 139.8448 165.4365 762862.6488 8.6619 8.7915 PRESSURE: 822600 37.1667 214.305 26.5442 214.305 -325.427 -107.843 26.5432 -107.843 -105.611 GPRESSURE: 822600 18.0772 200.795 6.70061 204.262 -196.301 -95.0531 1.56338 -38.7878 -143.041 PRESSAVG: 822600 10.1107 43.275 -55.4137 43.275 -14.8304 -3.76 -55.4137 -3.76001 0.679318 GPRESSAVG: 822600 8.86532 43.8794 -57.0393 45.8169 -13.5576 -3.96363 -57.6236 -4.37777 0.133893 TIMING: 822600 CPU: 2661.03, 0.00315842/step Wall: 2661.03, 0.00315842/step, 3.66499 hours remaining, 232.574219 MB of memory in use. ENERGY: 822600 4016.8775 20523.8150 14391.6581 265.9295 -203125.0722 2496.7219 0.0000 0.0000 52152.7967 -109277.2735 299.7228 -161430.0702 -108924.8210 299.3800 -131.2904 -107.0882 761360.2940 -1.3468 -1.5195 PRESSURE: 822800 -209.979 -115.693 -268.907 -115.693 4.23347 109.401 -268.907 109.4 -95.4399 GPRESSURE: 822800 -131.506 -88.5971 -191.899 -27.7619 71.9177 121.697 -171.166 62.5724 -156.115 PRESSAVG: 822800 -37.1081 1.74203 -35.6676 1.74212 31.4373 -14.6669 -35.6677 -14.6669 18.2731 GPRESSAVG: 822800 -35.9184 1.78847 -36.0072 0.291599 31.4615 -14.4038 -32.7496 -15.3446 17.3672 TIMING: 822800 CPU: 2661.66, 0.00317646/step Wall: 2661.66, 0.00317646/step, 3.68575 hours remaining, 232.574219 MB of memory in use. ENERGY: 822800 3964.1702 20402.7853 14394.5718 236.8524 -203100.9887 2581.6052 0.0000 0.0000 52025.9678 -109495.0359 298.9940 -161521.0038 -109146.9688 299.5757 -100.3952 -71.9012 760980.8060 4.2008 4.3034 PRESSURE: 823000 60.7227 -85.5532 86.0696 -85.5532 -262.577 -7.64557 86.0702 -7.64599 -116.639 GPRESSURE: 823000 40.9107 -37.9198 -31.8866 -13.4356 -156.487 16.4179 98.1371 24.319 -114.547 PRESSAVG: 823000 -12.8573 -11.3314 -22.8291 -11.3314 34.5264 4.96114 -22.829 4.9611 -28.2273 GPRESSAVG: 823000 -13.1854 -11.8129 -24.4168 -12.3734 33.8869 4.67244 -22.6071 6.65175 -27.0465 TIMING: 823000 CPU: 2662.3, 0.00320118/step Wall: 2662.3, 0.00320118/step, 3.71426 hours remaining, 232.574219 MB of memory in use. ENERGY: 823000 3981.4198 20455.6149 14401.2129 252.6168 -203117.6422 2344.9174 0.0000 0.0000 52254.4406 -109427.4198 300.3070 -161681.8604 -109058.5461 299.1895 -106.1645 -76.7076 760498.1345 -2.1861 -2.1150 PRESSURE: 823200 -264.908 199.278 -197.855 199.278 -29.3166 56.3526 -197.854 56.3528 -356.78 GPRESSURE: 823200 -243.215 152.626 -141.457 188.375 -114.123 93.556 -212.95 -5.6542 -206.197 PRESSAVG: 823200 -21.7001 -2.93235 -18.1899 -2.93229 29.7324 14.8509 -18.1898 14.8509 14.9663 GPRESSAVG: 823200 -21.8685 -3.96641 -17.0664 0.370236 30.2088 14.3786 -19.8106 13.6095 14.4923 TIMING: 823200 CPU: 2662.94, 0.00315879/step Wall: 2662.94, 0.00315879/step, 3.6649 hours remaining, 232.574219 MB of memory in use. ENERGY: 823200 3940.4212 20535.0887 14333.1854 255.0699 -203090.9435 2242.5927 0.0000 0.0000 52215.1743 -109569.4113 300.0813 -161784.5856 -109211.8109 299.8639 -217.0015 -187.8446 761287.4940 7.6662 7.6109 PRESSURE: 823400 27.8045 86.5494 -44.9547 86.5497 -131.837 5.7225 -44.9552 5.72428 31.0501 GPRESSURE: 823400 85.6082 1.50169 -9.28917 84.1668 -80.6078 12.1346 -4.14196 -1.92498 -3.10034 PRESSAVG: 823400 106.823 -40.1812 -18.5757 -40.1812 -109.27 43.4727 -18.5757 43.4727 -27.5745 GPRESSAVG: 823400 107.13 -39.4583 -21.4677 -41.496 -109.877 42.9015 -18.0016 45.1291 -27.3837 TIMING: 823400 CPU: 2663.57, 0.00316318/step Wall: 2663.57, 0.00316318/step, 3.66982 hours remaining, 232.574219 MB of memory in use. ENERGY: 823400 3980.9823 20552.4335 14322.3246 239.9374 -203060.4146 2463.5675 0.0000 0.0000 51870.0268 -109631.1426 298.0978 -161501.1694 -109266.5933 299.4012 -24.3274 0.6333 758802.4910 -10.0075 -10.0435 PRESSURE: 823600 179.743 -125.542 38.494 -125.542 -171.127 210.286 38.4937 210.286 -187.401 GPRESSURE: 823600 224.732 -78.9702 -10.9591 -59.3276 -43.9449 169.941 -28.0203 258.427 -260.948 PRESSAVG: 823600 44.9048 -94.173 11.453 -94.173 -14.7101 72.601 11.453 72.601 -7.30425 GPRESSAVG: 823600 44.9272 -91.5343 13.3271 -94.9293 -14.2018 72.9099 11.2802 71.253 -8.35102 TIMING: 823600 CPU: 2664.2, 0.00315864/step Wall: 2664.2, 0.00315864/step, 3.66437 hours remaining, 232.574219 MB of memory in use. ENERGY: 823600 3911.7827 20516.6618 14352.1355 242.0929 -203025.7801 2244.5845 0.0000 0.0000 52032.6678 -109725.8549 299.0325 -161758.5227 -109366.7337 298.9336 -59.5949 -26.7204 759689.9377 7.6302 7.4581 PRESSURE: 823800 -330.879 -52.7207 -27.9318 -52.7215 34.5807 -189.135 -27.9311 -189.134 -9.65285 GPRESSURE: 823800 -220.761 -4.13469 -94.9858 -11.7342 45.8738 -203.655 -51.5579 -290.013 -48.4693 PRESSAVG: 823800 4.55052 -60.0753 -41.0209 -60.0754 -57.4181 0.933157 -41.021 0.933122 -2.95832 GPRESSAVG: 823800 4.83933 -60.2475 -40.8241 -60.7422 -57.2309 0.51467 -40.2609 2.16334 -3.34322 TIMING: 823800 CPU: 2664.83, 0.0031511/step Wall: 2664.83, 0.0031511/step, 3.65545 hours remaining, 232.574219 MB of memory in use. ENERGY: 823800 4004.0024 20371.8782 14382.4812 271.8809 -203237.6708 2414.8593 0.0000 0.0000 52129.6538 -109662.9150 299.5898 -161792.5688 -109304.9145 299.0730 -101.9836 -74.4520 760269.0811 -18.6086 -18.5783 PRESSURE: 824000 -22.3201 -181.434 -55.8661 -181.434 53.4559 -242.085 -55.8658 -242.085 262.191 GPRESSURE: 824000 -5.30222 -156.408 -57.5384 -196.369 100.801 -255.598 -20.2308 -179.915 252.582 PRESSAVG: 824000 10.6045 -33.3316 -4.54823 -33.3317 -9.06226 -3.51732 -4.54811 -3.51731 22.9939 GPRESSAVG: 824000 9.65699 -31.5718 -4.20683 -33.1684 -9.64455 -0.47117 -5.98911 -4.90283 24.7914 TIMING: 824000 CPU: 2665.46, 0.00316888/step Wall: 2665.46, 0.00316888/step, 3.6759 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 3983.0063 20392.7256 14355.6662 255.7624 -202926.6802 2197.1201 0.0000 0.0000 52074.8532 -109667.5465 299.2749 -161742.3997 -109302.8937 299.3004 97.7757 116.0270 759648.8503 8.1787 8.2680 PRESSURE: 824200 108.437 -78.6108 -76.7471 -78.6109 -150.199 194.162 -76.7477 194.162 -89.5486 GPRESSURE: 824200 77.3417 -23.3506 -91.8016 -65.9561 -111.824 135.273 91.3305 231.814 -28.3655 PRESSAVG: 824200 37.0076 -49.1836 2.02295 -49.1837 -7.21576 -36.2456 2.02297 -36.2456 1.33867 GPRESSAVG: 824200 37.1808 -49.0608 2.3225 -50.4275 -6.11807 -38.6189 2.61133 -36.213 0.235053 TIMING: 824200 CPU: 2666.09, 0.00314115/step Wall: 2666.09, 0.00314115/step, 3.64355 hours remaining, 232.574219 MB of memory in use. ENERGY: 824200 3978.9329 20409.3367 14396.3488 253.8173 -202689.5967 2085.6239 0.0000 0.0000 51788.1057 -109777.4314 297.6270 -161565.5371 -109404.0043 298.8690 -43.7700 -20.9494 761690.5425 10.3768 10.4326 LDB: ============= START OF LOAD BALANCING ============== 2678.51 LDB: ============== END OF LOAD BALANCING =============== 2678.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2678.52 LDB: ============= START OF LOAD BALANCING ============== 2678.83 LDB: Largest compute 7075 load 0.037222 is 19.1% of average load 0.194996 LDB: Average compute 0.004400 is 2.3% of average load 0.194996 LDB: TIME 2678.83 LOAD: AVG 0.194996 MAX 0.215732 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.617 MB LDB: TIME 2678.83 LOAD: AVG 0.194996 MAX 0.215732 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.621 MB LDB: TIME 2678.83 LOAD: AVG 0.194996 MAX 0.215732 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.621 MB LDB: ============== END OF LOAD BALANCING =============== 2678.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2678.84 PRESSURE: 824400 -60.3944 101.492 -109.085 101.491 41.1138 134.558 -109.084 134.558 -146.515 GPRESSURE: 824400 -65.2427 182.237 -127.331 90.097 90.5595 135.027 -283.209 -26.1653 -98.7283 PRESSAVG: 824400 -12.6694 -48.366 -32.161 -48.366 30.194 -18.6511 -32.161 -18.6511 14.9583 GPRESSAVG: 824400 -13.2317 -50.7106 -33.2119 -47.8164 29.4596 -18.2938 -31.3771 -20.8109 16.312 TIMING: 824400 CPU: 2666.74, 0.00321509/step Wall: 2666.74, 0.00321509/step, 3.72914 hours remaining, 233.960938 MB of memory in use. ENERGY: 824400 3909.9767 20480.7844 14418.0676 260.3052 -203363.3484 2380.0072 0.0000 0.0000 51914.5283 -109999.6789 298.3535 -161914.2072 -109640.9122 298.5007 -55.2653 -24.4705 758593.5225 10.8276 10.8466 PRESSURE: 824600 -85.3662 -63.232 176.517 -63.2329 -140.135 30.4539 176.517 30.4529 470.608 GPRESSURE: 824600 -128.902 4.86652 199.69 -71.6347 -71.2739 -14.8576 54.4027 -111.92 522.034 PRESSAVG: 824600 23.6275 -78.8689 32.0351 -78.8689 3.19366 -18.0179 32.0351 -18.0179 0.439956 GPRESSAVG: 824600 23.425 -77.3567 32.2407 -80.2366 5.6783 -17.364 28.7463 -16.9797 -1.2308 TIMING: 824600 CPU: 2667.36, 0.00314105/step Wall: 2667.36, 0.00314105/step, 3.6431 hours remaining, 233.960938 MB of memory in use. ENERGY: 824600 3945.9054 20480.9999 14368.1255 226.6086 -203756.0582 2835.4001 0.0000 0.0000 51958.4454 -109940.5733 298.6059 -161899.0187 -109590.0143 298.6011 81.7022 107.2862 758999.7715 9.0871 9.2908 PRESSURE: 824800 -169.885 100.159 55.584 100.159 -162.08 87.1143 55.5839 87.1135 -107.682 GPRESSURE: 824800 -154.847 -86.9984 98.5071 81.3396 -79.0979 104.112 93.8153 81.425 -108.37 PRESSAVG: 824800 53.0006 -63.2566 30.7942 -63.2566 -27.6658 -42.0685 30.7942 -42.0685 4.92871 GPRESSAVG: 824800 53.3504 -63.6362 30.1839 -61.9038 -29.5732 -42.7496 32.7759 -42.4133 6.29444 TIMING: 824800 CPU: 2667.99, 0.00314403/step Wall: 2667.99, 0.00314403/step, 3.64638 hours remaining, 233.960938 MB of memory in use. ENERGY: 824800 3925.2048 20509.8402 14421.6771 242.4766 -203217.6455 2210.5993 0.0000 0.0000 52211.7847 -109696.0627 300.0618 -161907.8474 -109340.9116 298.9520 -146.5488 -114.1052 758826.8463 10.0878 10.0239 PRESSURE: 825000 -319.256 -1.69984 -299.825 -1.69977 -338.1 192.332 -299.824 192.332 9.12701 GPRESSURE: 825000 -381.429 90.2934 -278.333 -86.9613 -248.516 225.143 -141.206 226.722 73.8658 PRESSAVG: 825000 -56.1225 -78.044 25.6606 -78.044 46.4951 31.5843 25.6606 31.5844 -8.98614 GPRESSAVG: 825000 -56.5603 -78.9807 26.3005 -78.7435 47.9109 33.0416 28.7907 34.2408 -9.9528 TIMING: 825000 CPU: 2668.62, 0.00314533/step Wall: 2668.62, 0.00314533/step, 3.64771 hours remaining, 233.960938 MB of memory in use. ENERGY: 825000 3953.9913 20367.5775 14436.2562 238.6692 -203041.8762 2250.4862 0.0000 0.0000 51828.7193 -109966.1766 297.8604 -161794.8959 -109603.9483 299.0350 -216.0764 -185.3598 758366.9442 -6.2045 -6.2007 PRESSURE: 825200 -94.6283 26.294 272.187 26.2927 125.506 -200.895 272.187 -200.896 310.015 GPRESSURE: 825200 -82.3884 98.479 281.225 86.4526 154.629 -217.543 186.728 -178.057 339.697 PRESSAVG: 825200 -2.41647 -9.14916 6.01756 -9.14915 27.1769 45.5821 6.01753 45.5821 14.4098 GPRESSAVG: 825200 -1.86414 -9.82422 4.77876 -6.17715 26.1788 44.6008 4.02235 42.3567 14.6233 TIMING: 825200 CPU: 2669.25, 0.00315281/step Wall: 2669.25, 0.00315281/step, 3.65621 hours remaining, 233.960938 MB of memory in use. ENERGY: 825200 3951.5512 20509.0629 14411.4502 240.7865 -203418.5021 2463.8733 0.0000 0.0000 51975.8428 -109865.9353 298.7059 -161841.7781 -109504.9032 299.2570 113.6309 137.3123 759114.3378 13.0568 12.9794 PRESSURE: 825400 -256.273 -37.6557 83.5864 -37.6558 21.0099 121.439 83.5856 121.44 310.445 GPRESSURE: 825400 -140.589 -90.5835 104.897 -199.218 35.5685 128.923 15.4547 -60.9145 258.317 PRESSAVG: 825400 -14.2551 -4.14911 -0.183354 -4.14908 33.8404 -15.7782 -0.183354 -15.7782 3.81387 GPRESSAVG: 825400 -15.0977 -2.11654 0.353885 -6.09022 33.1079 -15.766 -0.608249 -13.8266 5.85774 TIMING: 825400 CPU: 2669.88, 0.00315238/step Wall: 2669.88, 0.00315239/step, 3.65554 hours remaining, 233.960938 MB of memory in use. ENERGY: 825400 3974.0106 20445.6389 14351.8804 260.0627 -203635.0340 2571.2812 0.0000 0.0000 52213.0535 -109819.1067 300.0691 -162032.1602 -109456.6067 298.8984 25.0605 51.0987 761409.3778 7.7997 7.9560 PRESSURE: 825600 -104.417 33.8724 -222.933 33.8715 -376.704 -294.221 -222.933 -294.222 -178.984 GPRESSURE: 825600 -90.4947 12.5604 -282.884 35.5251 -303.165 -225.319 -177.422 -167.089 -183.779 PRESSAVG: 825600 -12.4461 8.3902 -76.7749 8.39017 11.7681 -11.4012 -76.7749 -11.4012 -6.97861 GPRESSAVG: 825600 -11.5024 9.14089 -77.0488 8.26589 12.332 -10.8432 -76.7632 -11.1798 -8.01541 TIMING: 825600 CPU: 2670.52, 0.00317337/step Wall: 2670.52, 0.00317337/step, 3.6797 hours remaining, 233.960938 MB of memory in use. ENERGY: 825600 3902.0488 20499.0846 14438.4325 255.2384 -203239.2761 2210.4297 0.0000 0.0000 52086.9285 -109847.1136 299.3443 -161934.0421 -109476.1828 299.3952 -220.0350 -192.4797 760086.6207 -2.5522 -2.3953 PRESSURE: 825800 -232.278 67.7659 270.299 67.7669 -282.987 -64.0279 270.299 -64.0275 26.9283 GPRESSURE: 825800 -170.155 178.657 272.953 104.336 -271.998 -118.013 281.623 -79.5449 28.3142 PRESSAVG: 825800 40.179 -34.4943 5.31687 -34.4943 -44.6825 26.6378 5.31691 26.6378 0.329364 GPRESSAVG: 825800 40.5942 -34.1091 6.39587 -35.121 -44.6059 25.8713 4.69945 26.5454 -0.441752 TIMING: 825800 CPU: 2671.15, 0.00315558/step Wall: 2671.15, 0.00315558/step, 3.6589 hours remaining, 233.960938 MB of memory in use. ENERGY: 825800 3988.1716 20372.0062 14361.7505 238.6211 -203165.4892 2401.9133 0.0000 0.0000 52139.9589 -109663.0676 299.6491 -161803.0265 -109305.4437 299.0944 -162.7787 -137.9461 760399.7275 -1.3914 -1.4845 PRESSURE: 826000 -237.246 64.1779 54.3131 64.1772 -188.412 -162.606 54.3126 -162.606 13.5313 GPRESSURE: 826000 -222.479 98.5105 76.6132 155.929 -131.81 -161.51 140.973 -47.3446 19.9751 PRESSAVG: 826000 5.2183 -19.0877 -17.6796 -19.0877 0.181509 78.2301 -17.6796 78.23 -5.73278 GPRESSAVG: 826000 4.38346 -21.1893 -18.3824 -17.3845 0.477278 80.8155 -15.5436 77.7523 -5.25045 TIMING: 826000 CPU: 2671.78, 0.00314779/step Wall: 2671.78, 0.00314779/step, 3.64969 hours remaining, 234.085938 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: 826000 3982.8441 20359.2091 14409.3035 244.6716 -203269.5528 2398.3530 0.0000 0.0000 52321.1577 -109554.0137 300.6904 -161875.1714 -109191.2714 299.5357 -137.3755 -111.4381 761013.1536 -0.1110 -0.1299 PRESSURE: 826200 309.126 -7.4589 -14.093 -7.45811 81.1468 534.115 -14.0935 534.114 56.0692 GPRESSURE: 826200 262.228 -8.22862 -26.4788 19.2808 97.7711 599.452 -127.305 462.78 162.362 PRESSAVG: 826200 58.6331 -35.7081 40.4548 -35.708 -31.0406 51.8704 40.4548 51.8704 10.9537 GPRESSAVG: 826200 58.8473 -36.8609 41.7317 -35.5955 -31.7567 50.9977 38.0357 50.3964 11.5591 TIMING: 826200 CPU: 2672.41, 0.00314668/step Wall: 2672.41, 0.00314668/step, 3.64823 hours remaining, 234.085938 MB of memory in use. ENERGY: 826200 3988.6855 20487.4262 14378.1465 227.9974 -203629.3265 2701.4876 0.0000 0.0000 52322.9693 -109522.6140 300.7008 -161845.5833 -109155.0335 299.3956 148.7808 174.1206 760029.3669 12.8488 12.8832 PRESSURE: 826400 104.991 41.1504 -63.649 41.1505 97.7221 -103.676 -63.6491 -103.676 -192.502 GPRESSURE: 826400 158.633 97.2864 -15.7751 123.406 106.361 -106.058 -126.723 -112.266 -176.871 PRESSAVG: 826400 35.4211 -11.0492 34.9732 -11.0493 -38.8548 30.8009 34.9732 30.8008 15.2443 GPRESSAVG: 826400 35.7996 -10.1365 34.2554 -10.2572 -37.9801 30.3459 34.9931 30.8619 14.4897 TIMING: 826400 CPU: 2673.04, 0.0031398/step Wall: 2673.04, 0.0031398/step, 3.64008 hours remaining, 234.085938 MB of memory in use. ENERGY: 826400 3939.6569 20635.9955 14404.0089 257.7005 -203156.8762 2279.5312 0.0000 0.0000 52093.2334 -109546.7498 299.3805 -161639.9832 -109184.3285 299.3562 3.4037 29.3744 762123.7960 3.9369 4.1031 PRESSURE: 826600 223.803 9.20964 17.2416 9.2107 100.049 121.576 17.2412 121.575 -87.9863 GPRESSURE: 826600 176.027 -54.2348 26.4963 30.0536 206.874 111.176 60.5252 178.183 -37.3657 PRESSAVG: 826600 13.7198 23.7974 -0.629776 23.7975 6.6263 24.9417 -0.629835 24.9416 -7.04942 GPRESSAVG: 826600 13.4073 25.2383 -2.23341 22.5465 7.36278 23.8582 1.67956 27.9457 -7.21408 TIMING: 826600 CPU: 2673.66, 0.00314751/step Wall: 2673.66, 0.00314751/step, 3.64884 hours remaining, 234.085938 MB of memory in use. ENERGY: 826600 3975.9375 20469.0842 14324.3218 247.2483 -203151.4132 2334.4157 0.0000 0.0000 52104.3809 -109696.0247 299.4446 -161800.4057 -109338.4469 298.7502 78.6219 115.1786 761791.4925 4.4322 4.5187 PRESSURE: 826800 -207.433 168.172 186.481 168.171 87.5735 -166.421 186.482 -166.422 -225.046 GPRESSURE: 826800 -104.576 122.602 209.867 161.186 71.9083 -118.005 -27.7793 -43.4709 -233.69 PRESSAVG: 826800 30.2062 -24.347 22.4379 -24.347 -20.5512 -19.5804 22.438 -19.5803 -13.6459 GPRESSAVG: 826800 29.7753 -24.825 23.6822 -25.1684 -21.3679 -17.6139 22.5141 -22.1277 -12.7357 TIMING: 826800 CPU: 2674.29, 0.00315203/step Wall: 2674.29, 0.00315203/step, 3.6539 hours remaining, 234.085938 MB of memory in use. ENERGY: 826800 4038.2030 20452.2008 14481.0276 240.6787 -203133.2702 2418.2524 0.0000 0.0000 51857.6253 -109645.2823 298.0265 -161502.9076 -109289.2926 298.8396 -114.9684 -88.7859 761417.8288 -1.3303 -1.4427 PRESSURE: 827000 -591.529 -167.275 181.722 -167.276 -65.7504 24.8464 181.722 24.8456 -346.441 GPRESSURE: 827000 -439.578 -70.1819 107.921 -101.786 -54.3028 -24.4517 209.576 -1.76656 -423.65 PRESSAVG: 827000 -25.2727 -71.0638 -3.8563 -71.0638 32.3872 23.2454 -3.85631 23.2455 -22.7739 GPRESSAVG: 827000 -23.3547 -71.4616 -3.34865 -69.6763 32.0684 23.1946 -5.21688 26.2451 -24.4889 TIMING: 827000 CPU: 2674.92, 0.00314646/step Wall: 2674.92, 0.00314647/step, 3.64728 hours remaining, 234.085938 MB of memory in use. ENERGY: 827000 3885.3601 20446.9639 14363.8499 231.3593 -202851.1406 2313.5548 0.0000 0.0000 51958.8712 -109651.1814 298.6083 -161610.0527 -109279.5128 298.6877 -334.5734 -305.8435 763112.4256 -5.2198 -5.2584 PRESSURE: 827200 7.94525 -97.7783 -90.3421 -97.7793 -249.481 -179.79 -90.3406 -179.789 430.549 GPRESSURE: 827200 96.7549 -32.7326 -102.631 -67.5711 -210.033 -245.236 -39.0088 -37.8373 371.264 PRESSAVG: 827200 16.1745 -37.5691 -7.65771 -37.5691 -17.2036 11.5145 -7.65764 11.5145 -12.7802 GPRESSAVG: 827200 14.853 -39.8822 -8.12742 -35.6142 -18.2371 9.42103 -6.58052 11.7332 -10.8471 TIMING: 827200 CPU: 2675.55, 0.00314232/step Wall: 2675.55, 0.00314232/step, 3.6423 hours remaining, 234.085938 MB of memory in use. ENERGY: 827200 3973.8308 20455.5136 14417.4805 247.2195 -203249.5587 2468.1748 0.0000 0.0000 52186.1472 -109501.1924 299.9145 -161687.3396 -109141.3282 299.1628 63.0046 85.9954 761145.4357 -4.6031 -4.7437 PRESSURE: 827400 390.139 300.684 114.215 300.684 114.908 -229.572 114.216 -229.572 -46.5352 GPRESSURE: 827400 320.012 336.357 43.4557 272.867 186.136 -150.202 18.422 -111.683 32.0743 PRESSAVG: 827400 -4.10579 -70.5941 21.4292 -70.594 67.6147 24.1761 21.4292 24.1761 3.85206 GPRESSAVG: 827400 -3.81986 -69.1236 21.4965 -71.8978 68.585 24.8206 20.2221 23.2292 2.75309 TIMING: 827400 CPU: 2676.18, 0.00315999/step Wall: 2676.18, 0.00315999/step, 3.6626 hours remaining, 234.085938 MB of memory in use. ENERGY: 827400 3905.3484 20394.3201 14496.0409 257.0538 -203539.1207 2987.6682 0.0000 0.0000 51913.6681 -109585.0212 298.3486 -161498.6893 -109227.8527 299.1838 152.8372 179.4074 762074.0372 22.4536 22.5061 PRESSURE: 827600 185.933 -190.964 65.3926 -190.964 166.181 194.648 65.3924 194.648 185.961 GPRESSURE: 827600 236.107 -236.412 23.1447 -151.615 188.164 156.829 168.926 181.138 215.753 PRESSAVG: 827600 -12.8666 -13.7669 12.6076 -13.7669 -5.61588 63.3416 12.6075 63.3416 -3.01991 GPRESSAVG: 827600 -14.0805 -13.7609 11.8839 -14.7012 -5.31541 65.8023 13.2861 61.1998 -2.15589 TIMING: 827600 CPU: 2676.81, 0.00314327/step Wall: 2676.81, 0.00314327/step, 3.64305 hours remaining, 234.085938 MB of memory in use. ENERGY: 827600 3989.3965 20389.3909 14379.4753 244.4835 -203246.1261 2437.0443 0.0000 0.0000 52225.4275 -109580.9082 300.1402 -161806.3356 -109213.2781 299.2609 179.3584 213.3415 760398.9888 -7.1675 -7.1839 PRESSURE: 827800 -350.119 -226.008 60.9996 -226.008 -216.911 -47.4565 60.9997 -47.4557 92.5903 GPRESSURE: 827800 -285.399 -261.764 0.10864 -250.432 -151.448 -57.9192 75.6277 -95.6663 54.0006 PRESSAVG: 827800 25.0739 -63.5203 -40.4889 -63.5202 12.1761 49.0646 -40.4889 49.0646 1.43536 GPRESSAVG: 827800 24.7649 -62.127 -38.6022 -63.5764 12.7452 46.6166 -41.8689 49.9734 1.36272 TIMING: 827800 CPU: 2677.45, 0.00315855/step Wall: 2677.45, 0.00315855/step, 3.66058 hours remaining, 234.085938 MB of memory in use. ENERGY: 827800 4016.0080 20357.8130 14384.9760 263.1838 -202721.2364 2041.9396 0.0000 0.0000 52285.1351 -109372.1808 300.4834 -161657.3159 -109013.7120 299.7286 -158.1468 -127.6156 760316.8031 12.8951 12.9576 PRESSURE: 828000 55.2524 -16.6855 -25.2785 -16.6845 -21.7419 -119.525 -25.278 -119.525 -75.6274 GPRESSURE: 828000 152.553 -76.2141 -49.5124 68.6887 -39.9998 -82.3674 3.12939 -94.5566 -68.9307 PRESSAVG: 828000 -3.76464 -83.5579 -29.1312 -83.5579 -18.9736 -21.7778 -29.1312 -21.7778 4.03591 GPRESSAVG: 828000 -2.68981 -85.1626 -30.451 -82.0931 -19.6039 -20.4415 -29.7748 -22.3245 3.55141 TIMING: 828000 CPU: 2678.07, 0.00312934/step Wall: 2678.07, 0.00312934/step, 3.62655 hours remaining, 234.085938 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: 828000 3960.2939 20291.0772 14464.2135 244.9928 -203037.1828 2132.6409 0.0000 0.0000 52584.8579 -109359.1066 302.2059 -161943.9644 -108982.3459 299.8876 -14.0390 14.5409 758949.5476 -6.2341 -6.2474 PRESSURE: 828200 -149.903 104.934 -137.165 104.935 -67.1526 -275.092 -137.165 -275.092 267.862 GPRESSURE: 828200 -128.889 96.5521 -183.382 58.954 68.1602 -163.488 6.9089 -333.27 195.126 PRESSAVG: 828200 -1.13759 -32.4498 -24.5266 -32.4498 5.29987 -35.0377 -24.5266 -35.0377 0.703113 GPRESSAVG: 828200 -1.62997 -32.7028 -23.2638 -34.4069 5.56634 -37.9334 -24.6066 -31.4019 1.03319 TIMING: 828200 CPU: 2678.7, 0.00314801/step Wall: 2678.7, 0.00314801/step, 3.64802 hours remaining, 234.085938 MB of memory in use. ENERGY: 828200 4065.6704 20649.5018 14417.4123 255.7499 -203247.1171 2574.8024 0.0000 0.0000 52180.7309 -109103.2494 299.8834 -161283.9803 -108750.5959 300.1545 16.9355 44.7989 760315.1613 1.6218 1.6565 LDB: ============= START OF LOAD BALANCING ============== 2691.12 LDB: ============== END OF LOAD BALANCING =============== 2691.12 LDB: =============== DONE WITH MIGRATION ================ 2691.12 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2691.44 LDB: Largest compute 7075 load 0.036422 is 18.7% of average load 0.195166 LDB: Average compute 0.004401 is 2.3% of average load 0.195166 LDB: TIME 2691.44 LOAD: AVG 0.195166 MAX 0.216139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.883 MB LDB: TIME 2691.44 LOAD: AVG 0.195166 MAX 0.216139 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.883 MB LDB: TIME 2691.44 LOAD: AVG 0.195166 MAX 0.216139 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.883 MB LDB: ============== END OF LOAD BALANCING =============== 2691.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2691.45 PRESSURE: 828400 -268.359 -0.654183 184.102 -0.655343 75.0285 29.9884 184.102 29.9889 -415.42 GPRESSURE: 828400 -201.154 63.9942 214.508 -53.1776 2.3161 23.0874 103.173 -46.0532 -315.906 PRESSAVG: 828400 -17.3103 -25.069 19.8729 -25.069 -8.15994 14.4994 19.8728 14.4994 3.2603 GPRESSAVG: 828400 -17.7279 -25.0668 19.9424 -23.6618 -7.32922 14.346 18.9262 14.1854 2.89061 TIMING: 828400 CPU: 2679.34, 0.00321393/step Wall: 2679.34, 0.00321393/step, 3.72423 hours remaining, 232.019531 MB of memory in use. ENERGY: 828400 4039.7266 20610.4306 14417.1708 271.4790 -202910.1584 2424.5213 0.0000 0.0000 51967.7541 -109179.0760 298.6594 -161146.8301 -108818.3251 300.5471 -202.9169 -171.5814 761694.1664 -7.4033 -7.3888 PRESSURE: 828600 -382.239 35.5472 -213.971 35.547 -215.266 -121.224 -213.972 -121.225 -127.329 GPRESSURE: 828600 -263.115 80.1877 -246.289 2.15221 -209.026 -103.453 -148.221 -114.028 -136.101 PRESSAVG: 828600 -50.0361 -10.1019 -40.2951 -10.1019 -5.20579 -13.8438 -40.2951 -13.8439 -8.1163 GPRESSAVG: 828600 -49.5904 -9.73276 -42.4237 -11.7652 -6.79764 -12.4183 -37.9164 -15.6318 -6.63331 TIMING: 828600 CPU: 2679.97, 0.00312279/step Wall: 2679.97, 0.00312279/step, 3.61844 hours remaining, 232.222656 MB of memory in use. ENERGY: 828600 4089.7498 20372.6636 14423.5852 247.3306 -203604.8548 2739.0639 0.0000 0.0000 52504.9080 -109227.5538 301.7464 -161732.4618 -108860.3243 300.4617 -241.6116 -202.7472 762742.9876 -21.1194 -21.0071 PRESSURE: 828800 99.4401 -39.2516 -13.0932 -39.2522 176.839 -82.2942 -13.0927 -82.2943 133.379 GPRESSURE: 828800 79.9509 -123.427 -116.689 28.0223 221.802 -113.059 119.974 -24.2371 184.138 PRESSAVG: 828800 -2.90124 -0.027813 4.50207 -0.0278301 -20.5961 36.535 4.50203 36.5351 -12.0736 GPRESSAVG: 828800 -0.787318 1.92921 2.8127 0.793366 -21.1177 35.6693 4.83361 36.2817 -12.9785 TIMING: 828800 CPU: 2680.6, 0.003144/step Wall: 2680.6, 0.003144/step, 3.64285 hours remaining, 232.222656 MB of memory in use. ENERGY: 828800 4025.8763 20607.3855 14506.6174 242.2051 -203204.7626 2539.6208 0.0000 0.0000 51961.8017 -109321.2559 298.6252 -161283.0576 -108963.8987 300.1181 136.5525 161.9637 759573.0785 -11.8570 -11.6278 PRESSURE: 829000 205.253 -126.894 -53.7244 -126.893 -15.1481 224.29 -53.724 224.291 294.346 GPRESSURE: 829000 219.11 -126.047 -158.572 -86.2529 34.682 195.502 -95.848 55.2065 295.214 PRESSAVG: 829000 -0.729175 -0.10953 -24.966 -0.109608 25.1404 -2.59723 -24.9661 -2.5972 17.4643 GPRESSAVG: 829000 -2.59035 -1.38855 -21.3817 0.61624 26.8721 -1.40627 -26.1583 -3.633 17.5498 TIMING: 829000 CPU: 2681.23, 0.00315943/step Wall: 2681.23, 0.00315943/step, 3.66055 hours remaining, 232.222656 MB of memory in use. ENERGY: 829000 4019.6034 20593.0044 14431.9265 225.4621 -203389.9999 2618.9274 0.0000 0.0000 51847.0736 -109654.0026 297.9658 -161501.0762 -109297.6751 299.4798 161.4835 183.0020 759563.2590 13.9585 13.9438 PRESSURE: 829200 -80.667 -90.6248 -80.5276 -90.6245 44.5763 -60.6546 -80.5282 -60.656 308.606 GPRESSURE: 829200 -29.7532 -117.862 -91.9999 -199.297 25.366 -144.978 -103.724 -29.3575 385.538 PRESSAVG: 829200 20.6179 -9.30506 -19.2398 -9.30503 13.6317 35.283 -19.2398 35.2829 10.4605 GPRESSAVG: 829200 20.6518 -7.95214 -21.0703 -10.123 13.513 34.052 -18.0147 37.2554 10.1632 TIMING: 829200 CPU: 2681.86, 0.00314929/step Wall: 2681.86, 0.00314929/step, 3.64863 hours remaining, 232.222656 MB of memory in use. ENERGY: 829200 4014.5339 20501.6734 14429.4145 239.5499 -203629.7871 2720.0216 0.0000 0.0000 52112.6174 -109611.9764 299.4919 -161724.5938 -109255.4484 299.8442 90.8385 127.0502 760921.1918 14.9034 14.7760 PRESSURE: 829400 -113.241 249.075 52.7265 249.075 -222.033 -132.436 52.7263 -132.435 -250.716 GPRESSURE: 829400 -84.3434 335.189 121.34 168.684 -163.172 -63.583 -45.2374 -172.041 -260.998 PRESSAVG: 829400 4.1443 9.9809 -60.6 9.98093 -52.3615 18.1753 -60.6 18.1754 -0.977596 GPRESSAVG: 829400 4.21382 7.78715 -59.3327 11.8143 -52.5798 17.8235 -61.0846 17.3668 -1.53912 TIMING: 829400 CPU: 2682.49, 0.00314919/step Wall: 2682.49, 0.00314919/step, 3.64834 hours remaining, 232.222656 MB of memory in use. ENERGY: 829400 3913.9535 20424.0624 14454.4155 259.2691 -203311.7248 2561.1958 0.0000 0.0000 52115.3917 -109583.4368 299.5079 -161698.8285 -109220.7161 299.5235 -195.3301 -169.5044 762513.6196 -16.3983 -16.6350 PRESSURE: 829600 -111.496 -234.246 173.026 -234.246 62.3732 -19.6209 173.026 -19.6207 -160.379 GPRESSURE: 829600 -105.618 -155.803 158.402 -68.3882 90.2833 72.249 182.701 -109.494 -118.607 PRESSAVG: 829600 33.1277 -3.09104 -18.4789 -3.09111 -41.0801 25.4331 -18.4789 25.4331 -13.0974 GPRESSAVG: 829600 33.4318 -4.34203 -18.3749 -0.97767 -40.6839 25.8779 -19.2283 24.5903 -13.9551 TIMING: 829600 CPU: 2683.12, 0.00313575/step Wall: 2683.12, 0.00313575/step, 3.63259 hours remaining, 232.222656 MB of memory in use. ENERGY: 829600 4006.9585 20440.1294 14445.6539 236.6260 -202992.9672 2171.7886 0.0000 0.0000 51883.1469 -109808.6640 298.1732 -161691.8109 -109444.0290 298.4395 -69.8339 -44.6470 762014.3657 -7.0166 -7.0691 PRESSURE: 829800 -207.903 -274.947 -213.264 -274.947 -227.388 15.5861 -213.263 15.5861 -434.008 GPRESSURE: 829800 -227.959 -214.258 -94.0691 -265.571 -160.216 24.9113 -89.7333 126.667 -415.848 PRESSAVG: 829800 26.2426 -8.11689 -34.803 -8.11691 -9.57294 25.1431 -34.803 25.143 -16.5977 GPRESSAVG: 829800 26.4116 -6.89474 -34.9456 -11.7085 -10.3144 25.1295 -35.1945 28.2185 -15.9144 TIMING: 829800 CPU: 2683.74, 0.00314144/step Wall: 2683.74, 0.00314144/step, 3.63901 hours remaining, 232.222656 MB of memory in use. ENERGY: 829800 4065.4741 20358.5934 14429.1823 230.2519 -203230.3405 2275.0875 0.0000 0.0000 52181.3262 -109690.4251 299.8868 -161871.7513 -109325.0313 298.8159 -289.7667 -268.0076 762143.6162 0.0240 0.0609 PRESSURE: 830000 52.6969 -38.8735 -119.208 -38.8732 -10.3102 291.212 -119.208 291.211 118.282 GPRESSURE: 830000 106.273 -110.506 -94.1986 -14.5479 48.6755 206.47 -235.234 141.747 116.195 PRESSAVG: 830000 22.5171 -44.254 -66.3779 -44.2541 -24.5886 10.0821 -66.3779 10.0821 -1.94129 GPRESSAVG: 830000 20.9769 -44.4608 -67.306 -43.2632 -23.1872 11.2279 -66.2088 6.42585 -1.01061 TIMING: 830000 CPU: 2684.37, 0.00313738/step Wall: 2684.37, 0.00313738/step, 3.63413 hours remaining, 232.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 3974.2604 20244.0341 14484.3300 256.1385 -203044.8293 2262.8274 0.0000 0.0000 52341.1915 -109482.0474 300.8055 -161823.2388 -109107.9686 299.1695 53.5561 90.3813 762404.3925 -1.3376 -1.0736 PRESSURE: 830200 233.099 -41.6331 -237.481 -41.6334 -55.0001 138.49 -237.48 138.492 320.053 GPRESSURE: 830200 177.199 61.2197 -247.969 -27.941 16.4316 164.602 -143.111 230.657 363.489 PRESSAVG: 830200 81.843 -0.405565 -74.0259 -0.40551 -43.4122 40.7346 -74.0259 40.7345 -35.4163 GPRESSAVG: 830200 82.0688 -1.09331 -73.5574 -0.000436151 -44.2298 40.7397 -73.4149 41.8505 -34.7828 TIMING: 830200 CPU: 2685, 0.00315886/step Wall: 2685, 0.00315886/step, 3.65884 hours remaining, 232.222656 MB of memory in use. ENERGY: 830200 3978.1505 20452.1139 14499.2665 244.4234 -203469.4498 2701.9970 0.0000 0.0000 52047.5828 -109545.9157 299.1182 -161593.4985 -109172.1016 299.4445 166.0507 185.7068 761575.4031 1.0049 1.0187 PRESSURE: 830400 147.29 131.732 57.561 131.732 299.042 -181.297 57.5611 -181.298 -37.821 GPRESSURE: 830400 204.462 122.854 78.6495 160.757 266.54 -69.5781 8.37191 -87.3928 30.3247 PRESSAVG: 830400 15.3783 -29.801 -90.6117 -29.801 -51.0366 16.0022 -90.6117 16.0022 -13.9512 GPRESSAVG: 830400 16.2957 -27.5616 -89.6266 -30.2805 -51.8 15.0879 -90.9628 17.5774 -14.3142 TIMING: 830400 CPU: 2685.63, 0.00315432/step Wall: 2685.63, 0.00315432/step, 3.6534 hours remaining, 232.222656 MB of memory in use. ENERGY: 830400 3977.7919 20525.7979 14484.2837 258.9900 -203462.6942 2509.4319 0.0000 0.0000 52057.7870 -109648.6119 299.1768 -161706.3990 -109285.1698 298.8228 136.1703 167.1091 761256.8570 -16.5365 -16.6062 PRESSURE: 830600 -364.044 -182.055 -93.095 -182.056 -286.515 57.4693 -93.0946 57.4708 -252.232 GPRESSURE: 830600 -305.61 -28.3392 -79.38 -220.419 -318.715 -7.23148 49.238 5.96359 -213.378 PRESSAVG: 830600 60.1546 10.09 -92.3505 10.09 -79.3941 14.2217 -92.3505 14.2217 0.148189 GPRESSAVG: 830600 59.9321 7.48703 -92.7811 12.9323 -78.4023 14.3322 -92.5168 14.0705 -0.660564 TIMING: 830600 CPU: 2686.26, 0.00314729/step Wall: 2686.26, 0.00314729/step, 3.64509 hours remaining, 232.222656 MB of memory in use. ENERGY: 830600 3965.6288 20538.9825 14463.7505 244.0167 -203270.5511 2288.4831 0.0000 0.0000 52027.3512 -109742.3384 299.0019 -161769.6896 -109379.6202 298.7413 -300.9305 -279.2343 761113.0727 -6.3638 -6.3769 PRESSURE: 830800 -46.4219 81.2895 -93.0998 81.289 -260.184 -88.6204 -93.0987 -88.6209 105.586 GPRESSURE: 830800 -46.3403 7.11872 -96.6937 -34.8289 -199.118 -124.029 -122.723 -133.802 153.64 PRESSAVG: 830800 72.101 -42.2482 0.434117 -42.2482 -16.0045 18.7363 0.434089 18.7362 10.9954 GPRESSAVG: 830800 71.3391 -40.4156 0.220405 -43.326 -16.2864 18.884 3.48038 19.3388 11.7347 TIMING: 830800 CPU: 2686.89, 0.00313499/step Wall: 2686.89, 0.00313499/step, 3.63067 hours remaining, 232.222656 MB of memory in use. ENERGY: 830800 3933.4800 20478.6369 14460.5554 245.6340 -202838.0105 2154.7022 0.0000 0.0000 51822.6542 -109742.3479 297.8255 -161565.0021 -109383.8949 298.7903 -67.0069 -30.6063 761081.0280 22.3640 22.2624 PRESSURE: 831000 16.3672 -74.9525 -144.181 -74.952 152.227 313.949 -144.181 313.95 -33.5104 GPRESSURE: 831000 35.7674 -131.052 -148.149 -92.3787 262.996 240.838 -248.718 406.238 -63.6532 PRESSAVG: 831000 11.8399 -4.32419 -41.6088 -4.32423 -11.1108 19.405 -41.6087 19.4049 -7.8795 GPRESSAVG: 831000 12.8399 -5.99147 -41.7256 -5.60462 -10.4094 18.0696 -43.3876 19.415 -8.81972 TIMING: 831000 CPU: 2687.52, 0.00314781/step Wall: 2687.52, 0.00314781/step, 3.64534 hours remaining, 232.222656 MB of memory in use. ENERGY: 831000 3976.1015 20352.5746 14407.7482 246.8416 -203338.7008 2631.8599 0.0000 0.0000 52162.3887 -109561.1864 299.7780 -161723.5752 -109181.5700 298.8632 45.0279 78.3700 760449.7285 -2.3835 -2.1297 PRESSURE: 831200 -153.189 -187.03 -120.64 -187.03 -141.863 90.2347 -120.64 90.234 -53.1867 GPRESSURE: 831200 -104.051 -121.438 -192.334 -233.74 -103.912 112.764 -61.3524 109.509 -38.97 PRESSAVG: 831200 52.8638 4.16903 -38.453 4.16904 -47.2338 10.8137 -38.453 10.8136 8.28727 GPRESSAVG: 831200 53.4805 5.8892 -38.0476 5.2635 -48.7807 11.87 -40.0303 10.3935 9.02515 TIMING: 831200 CPU: 2688.15, 0.00313786/step Wall: 2688.15, 0.00313786/step, 3.63364 hours remaining, 232.222656 MB of memory in use. ENERGY: 831200 4074.5517 20497.9721 14410.5631 246.6672 -203387.1121 2643.0141 0.0000 0.0000 52208.7527 -109305.5913 300.0444 -161514.3440 -108955.4132 299.7601 -116.0795 -82.3109 760649.3310 4.6391 4.5750 PRESSURE: 831400 -280.746 4.53683 -59.4555 4.53684 -248.261 13.7666 -59.4558 13.7651 -6.76335 GPRESSURE: 831400 -216.882 27.6649 -53.4319 30.4113 -239.97 14.7661 108.045 34.478 25.6843 PRESSAVG: 831400 -10.6198 -52.4525 -28.4565 -52.4525 -12.3347 11.2878 -28.4564 11.2877 -9.40008 GPRESSAVG: 831400 -10.8679 -51.928 -29.5672 -54.84 -11.9449 11.4735 -27.5924 10.6312 -9.16815 TIMING: 831400 CPU: 2688.78, 0.00317343/step Wall: 2688.78, 0.00317343/step, 3.67466 hours remaining, 232.222656 MB of memory in use. ENERGY: 831400 3954.9665 20545.5362 14502.0325 250.2382 -203308.9024 2405.8110 0.0000 0.0000 52249.6399 -109400.6780 300.2794 -161650.3180 -109038.5043 300.1116 -178.5901 -143.7225 758924.1134 -10.7849 -10.6603 PRESSURE: 831600 -231.063 -9.00202 -158.923 -9.00125 -51.9693 -68.6311 -158.923 -68.632 53.6516 GPRESSURE: 831600 -107.906 25.0096 -236.236 -116.564 -28.3502 -68.0099 -154.633 66.0777 -9.50349 PRESSAVG: 831600 29.3855 1.21387 -8.24353 1.21392 -13.494 -40.691 -8.2435 -40.6911 -18.0718 GPRESSAVG: 831600 30.3554 1.41032 -9.44814 2.78273 -14.8728 -39.9883 -6.44632 -38.6175 -17.9699 TIMING: 831600 CPU: 2689.41, 0.0031565/step Wall: 2689.41, 0.0031565/step, 3.65487 hours remaining, 232.222656 MB of memory in use. ENERGY: 831600 4009.6237 20597.2075 14405.9396 263.3105 -202688.8257 2099.2103 0.0000 0.0000 52172.9787 -109140.5554 299.8388 -161313.5341 -108768.9496 299.5684 -76.4603 -48.5867 759382.7755 -0.7267 -0.8291 PRESSURE: 831800 79.8379 28.3905 -137.351 28.3906 306.646 -85.9399 -137.351 -85.9407 -48.8127 GPRESSURE: 831800 76.3767 47.3606 -23.1411 102.266 353.785 -89.5051 -133.698 -139.55 6.98107 PRESSAVG: 831800 3.37721 -39.7872 -12.5156 -39.7872 11.0542 -15.2336 -12.5156 -15.2335 1.75453 GPRESSAVG: 831800 1.74694 -39.62 -10.6191 -39.8795 12.8574 -16.3949 -14.6169 -16.0073 2.14557 TIMING: 831800 CPU: 2690.04, 0.00313289/step Wall: 2690.04, 0.00313289/step, 3.62736 hours remaining, 232.222656 MB of memory in use. ENERGY: 831800 3946.2228 20651.2321 14403.0945 242.4052 -203211.5568 2608.1135 0.0000 0.0000 52206.3207 -109154.1681 300.0304 -161360.4888 -108794.6068 299.7589 112.5571 145.7142 761395.5524 5.3953 5.5833 PRESSURE: 832000 68.8063 45.0967 -158.102 45.097 -46.8387 169.058 -158.102 169.057 -125.436 GPRESSURE: 832000 90.1735 -36.6803 -145.126 66.4583 -23.7835 181.431 -39.0303 78.4233 -56.383 PRESSAVG: 832000 -64.2281 3.65711 -52.5219 3.65713 13.239 -24.3284 -52.5218 -24.3285 -7.0649 GPRESSAVG: 832000 -64.4934 2.55354 -53.37 2.82281 14.4843 -23.3042 -52.0718 -26.3268 -8.14844 TIMING: 832000 CPU: 2690.67, 0.00313391/step Wall: 2690.67, 0.00313391/step, 3.62838 hours remaining, 232.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 4061.1089 20560.2933 14405.4111 248.8004 -202738.7467 2325.2294 0.0000 0.0000 52115.8076 -109022.0960 299.5103 -161137.9035 -108651.3422 300.2964 -34.4896 3.3357 761205.8583 -19.3513 -19.3858 PRESSURE: 832200 -1.60289 116.589 11.6383 116.589 34.3945 -73.537 11.6378 -73.5361 300.056 GPRESSURE: 832200 -25.1987 88.5462 33.8058 248.788 168.69 -69.6907 59.638 -124.181 261.521 PRESSAVG: 832200 -10.8659 23.8728 -9.11766 23.8728 32.1804 -44.8051 -9.11771 -44.8051 21.1737 GPRESSAVG: 832200 -10.3813 23.5873 -8.84469 23.5007 30.6921 -46.2181 -9.26648 -43.0526 21.6362 TIMING: 832200 CPU: 2691.29, 0.0031264/step Wall: 2691.29, 0.0031264/step, 3.6195 hours remaining, 232.222656 MB of memory in use. ENERGY: 832200 3998.3609 20477.5696 14417.6703 241.8964 -203223.2367 2669.6650 0.0000 0.0000 52362.9905 -109055.0841 300.9308 -161418.0746 -108690.2195 300.7516 110.9492 135.0042 761623.9836 14.1628 13.9823 LDB: ============= START OF LOAD BALANCING ============== 2703.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2703.71 LDB: =============== DONE WITH MIGRATION ================ 2703.71 LDB: ============= START OF LOAD BALANCING ============== 2704.03 LDB: Largest compute 7075 load 0.035689 is 18.4% of average load 0.194281 LDB: Average compute 0.004379 is 2.3% of average load 0.194281 LDB: TIME 2704.03 LOAD: AVG 0.194281 MAX 0.211903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.25 MB LDB: TIME 2704.03 LOAD: AVG 0.194281 MAX 0.211903 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: TIME 2704.03 LOAD: AVG 0.194281 MAX 0.211903 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: ============== END OF LOAD BALANCING =============== 2704.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2704.04 PRESSURE: 832400 286.18 -14.82 297.309 -14.82 -40.0715 274.654 297.309 274.654 135.294 GPRESSURE: 832400 262.614 45.9949 157.872 -51.4909 -0.814133 259.634 262.985 332.289 204.069 PRESSAVG: 832400 15.54 37.5905 46.1513 37.5904 7.5532 -11.7373 46.1513 -11.7373 -22.7553 GPRESSAVG: 832400 14.1391 38.3364 46.4046 36.6868 8.37839 -11.1922 44.8834 -11.1198 -21.9053 TIMING: 832400 CPU: 2691.93, 0.00320827/step Wall: 2691.93, 0.00320827/step, 3.71411 hours remaining, 231.570312 MB of memory in use. ENERGY: 832400 4021.8205 20603.8855 14407.0115 262.1899 -202998.1719 2606.6113 0.0000 0.0000 52000.3615 -109096.2917 298.8468 -161096.6532 -108732.6496 300.0199 127.1341 155.2898 761743.0051 0.1126 0.2041 PRESSURE: 832600 -304.645 38.3515 -85.412 38.3524 -250.403 -76.8318 -85.4122 -76.8299 270.971 GPRESSURE: 832600 -194.73 29.0127 -134.779 97.2252 -274.752 -140.97 -92.4103 -30.9046 261.769 PRESSAVG: 832600 -11.1656 -5.67315 -2.33587 -5.67319 -20.8743 1.57575 -2.33588 1.57569 -1.89545 GPRESSAVG: 832600 -8.55653 -5.77514 -2.27268 -5.08205 -22.6239 2.25687 -1.77882 2.42076 -2.73832 TIMING: 832600 CPU: 2692.57, 0.00315676/step Wall: 2692.57, 0.00315675/step, 3.65429 hours remaining, 231.570312 MB of memory in use. ENERGY: 832600 4019.0620 20674.8984 14453.3474 257.7984 -202881.0410 2072.5690 0.0000 0.0000 52338.4783 -109064.8875 300.7900 -161403.3658 -108706.1855 300.0245 -94.6923 -69.2375 762138.6203 -11.3118 -11.3062 PRESSURE: 832800 -220.974 46.5532 -270.998 46.5528 -14.4789 -51.0536 -270.997 -51.0541 -144.026 GPRESSURE: 832800 -118.905 -43.6001 -133.918 -69.8414 -24.4156 -42.1373 -214.445 -13.1401 -140.535 PRESSAVG: 832800 -18.3797 -16.0172 0.105932 -16.0172 7.30139 -39.7029 0.105962 -39.703 -8.44082 GPRESSAVG: 832800 -18.4785 -14.1278 1.88426 -15.9488 8.61027 -40.9158 1.32965 -40.7833 -9.40727 TIMING: 832800 CPU: 2693.2, 0.00315551/step Wall: 2693.2, 0.00315551/step, 3.65268 hours remaining, 231.570312 MB of memory in use. ENERGY: 832800 4013.5435 20583.9508 14438.7065 252.9268 -203108.5078 2633.6630 0.0000 0.0000 52063.0313 -109122.6859 299.2070 -161185.7172 -108760.8028 300.3968 -126.4931 -94.6184 764054.6916 -6.5064 -6.4252 PRESSURE: 833000 32.2691 -57.2817 44.0714 -57.2827 80.2187 -63.9204 44.0717 -63.9199 -5.77905 GPRESSURE: 833000 147.813 -5.93537 -65.1442 -75.4149 88.4739 -6.89924 111.299 -104.001 -31.6086 PRESSAVG: 833000 14.5393 -29.2963 -5.96691 -29.2963 -78.0555 -30.0541 -5.96695 -30.054 3.37068 GPRESSAVG: 833000 13.8088 -29.6716 -8.21121 -29.325 -78.4468 -27.786 -5.64525 -32.5208 4.48228 TIMING: 833000 CPU: 2693.83, 0.00316721/step Wall: 2693.83, 0.00316721/step, 3.66604 hours remaining, 231.570312 MB of memory in use. ENERGY: 833000 4034.6578 20538.6620 14443.3399 236.9658 -203302.8124 2501.4973 0.0000 0.0000 52223.1738 -109324.5158 300.1273 -161547.6896 -108969.3995 300.4262 35.5696 68.2262 761859.1070 -20.0485 -20.0519 PRESSURE: 833200 74.5562 -39.9772 9.76409 -39.9778 -18.8661 92.1918 9.76446 92.1919 -553.387 GPRESSURE: 833200 111.076 -134.805 -61.7481 -23.4574 79.0853 77.8817 -46.7157 25.0965 -601.501 PRESSAVG: 833200 80.7592 -9.89321 -27.0404 -9.8932 -33.319 -30.2967 -27.0404 -30.2967 8.22048 GPRESSAVG: 833200 79.8834 -11.457 -26.7318 -9.01221 -33.1017 -32.4413 -28.3896 -26.7677 8.5339 TIMING: 833200 CPU: 2694.46, 0.00315789/step Wall: 2694.46, 0.00315789/step, 3.65508 hours remaining, 231.570312 MB of memory in use. ENERGY: 833200 3977.5608 20519.5031 14403.9416 258.0075 -203481.7645 2601.2919 0.0000 0.0000 52307.1131 -109414.3466 300.6097 -161721.4597 -109054.1087 300.3720 -165.8990 -137.1129 760134.3758 18.5535 18.4385 PRESSURE: 833400 -106.022 -122.127 -47.6713 -122.127 456.173 -204.087 -47.6709 -204.088 -207.295 GPRESSURE: 833400 -21.0101 -159 -10.2914 -123.858 380.193 -285.5 -7.15462 -107.214 -148.855 PRESSAVG: 833400 5.14717 -12.5742 -2.29218 -12.5742 36.8192 -19.1986 -2.29224 -19.1986 -4.74214 GPRESSAVG: 833400 6.4995 -14.3554 -0.404511 -13.954 35.0991 -17.0665 -1.99719 -20.0316 -4.5016 TIMING: 833400 CPU: 2695.09, 0.00314851/step Wall: 2695.09, 0.00314851/step, 3.64405 hours remaining, 231.570312 MB of memory in use. ENERGY: 833400 3940.3668 20668.2240 14464.9251 261.2522 -203332.3261 2512.2147 0.0000 0.0000 51979.6199 -109505.7234 298.7276 -161485.3433 -109145.4930 299.4445 47.6185 70.1093 759228.0162 12.4081 12.3657 PRESSURE: 833600 -406.172 25.6816 -190.557 25.6821 -574.081 90.6768 -190.557 90.678 -490.429 GPRESSURE: 833600 -360.705 53.6659 -194.526 45.7081 -476.528 125.305 -221.969 -4.63756 -563.121 PRESSAVG: 833600 -42.5885 -44.3544 -16.4418 -44.3543 61.3952 -6.62622 -16.4418 -6.62628 -5.12134 GPRESSAVG: 833600 -44.438 -41.7668 -18.5532 -43.8266 63.1257 -8.05905 -15.9913 -6.97736 -5.26692 TIMING: 833600 CPU: 2695.72, 0.00314933/step Wall: 2695.72, 0.00314933/step, 3.64482 hours remaining, 231.570312 MB of memory in use. ENERGY: 833600 3938.3921 20532.0698 14507.5384 225.9065 -202873.2937 2288.3958 0.0000 0.0000 51807.7505 -109573.2406 297.7399 -161380.9911 -109216.4787 299.1051 -490.2272 -466.7844 761938.3105 4.5618 4.4736 PRESSURE: 833800 -179.3 103.12 -19.9404 103.12 108.976 49.0992 -19.9402 49.0991 -82.4123 GPRESSURE: 833800 -110.815 125.215 -6.28413 188.142 4.09311 139.985 79.0157 122.642 28.187 PRESSAVG: 833800 -5.9573 -18.7149 -26.6423 -18.7149 -15.1209 -7.34726 -26.6423 -7.34729 -13.6167 GPRESSAVG: 833800 -6.73462 -19.0134 -26.174 -19.2497 -13.8675 -5.74517 -28.1046 -8.13094 -14.1556 TIMING: 833800 CPU: 2696.35, 0.00315362/step Wall: 2696.35, 0.00315362/step, 3.64962 hours remaining, 231.570312 MB of memory in use. ENERGY: 833800 4092.6144 20395.1177 14513.9187 243.4008 -202912.9840 2212.7617 0.0000 0.0000 52062.9999 -109392.1708 299.2068 -161455.1707 -109030.4606 299.0644 -50.9119 -26.1784 762112.9895 -11.5650 -11.5859 PRESSURE: 834000 41.9363 -4.10321 132.162 -4.1037 -439.171 107.126 132.162 107.126 -398.157 GPRESSURE: 834000 61.3324 -57.5209 156.273 -66.5397 -463.297 94.0568 59.1827 178.124 -302.801 PRESSAVG: 834000 -18.2315 4.33993 -16.0955 4.33998 46.6784 25.1601 -16.0955 25.1601 18.983 GPRESSAVG: 834000 -18.0292 2.31452 -14.915 3.36988 45.5801 24.9007 -14.2925 24.2411 19.8653 TIMING: 834000 CPU: 2696.98, 0.00314563/step Wall: 2696.98, 0.00314563/step, 3.64019 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 834000 4053.1323 20511.3301 14417.2542 258.3799 -203034.2289 2353.8353 0.0000 0.0000 51878.5437 -109561.7534 298.1467 -161440.2971 -109194.7315 299.1719 -265.1307 -234.9220 760647.1699 15.8100 15.8054 PRESSURE: 834200 256.564 69.5303 -123.662 69.5309 86.4402 -61.2379 -123.661 -61.2381 242.379 GPRESSURE: 834200 237.883 46.3553 -180.187 -13.7633 129.489 -82.5245 -61.3626 -184.891 309.927 PRESSAVG: 834200 32.3291 -54.9576 20.2543 -54.9576 -30.1224 12.2244 20.2543 12.2243 7.96695 GPRESSAVG: 834200 32.5045 -54.4326 20.3068 -55.4182 -30.2522 11.5945 20.7158 12.7459 7.79929 TIMING: 834200 CPU: 2697.61, 0.00314999/step Wall: 2697.61, 0.00314999/step, 3.64506 hours remaining, 231.570312 MB of memory in use. ENERGY: 834200 3992.0038 20562.7990 14357.3732 257.3222 -203750.8751 2849.3217 0.0000 0.0000 52096.8410 -109635.2141 299.4013 -161732.0552 -109283.8098 299.2679 195.1277 225.7660 759497.7745 3.3912 3.3505 PRESSURE: 834400 -376.545 55.8887 214.616 55.8882 51.9119 254.897 214.617 254.897 -477.299 GPRESSURE: 834400 -316.914 17.1955 180.63 123.087 22.3259 236.41 119.75 235.585 -438.503 PRESSAVG: 834400 32.6597 -5.99305 8.53007 -5.99299 22.0886 5.41574 8.53004 5.4157 -2.72573 GPRESSAVG: 834400 32.2776 -5.24464 8.11239 -2.59862 21.1369 4.7186 5.50335 6.99338 -2.63286 TIMING: 834400 CPU: 2698.24, 0.00315231/step Wall: 2698.24, 0.00315231/step, 3.64758 hours remaining, 231.570312 MB of memory in use. ENERGY: 834400 3925.6673 20569.5571 14497.0822 248.4313 -203269.0614 2314.0724 0.0000 0.0000 52120.6010 -109593.6501 299.5378 -161714.2511 -109221.0742 299.3022 -267.3109 -244.3638 761099.7070 17.3409 16.9272 PRESSURE: 834600 77.3085 -76.7113 213.858 -76.7119 -142.924 137.459 213.858 137.459 244.171 GPRESSURE: 834600 116.173 118.301 194.34 52.2386 -121.028 136.604 318.085 178.894 244.586 PRESSAVG: 834600 -33.239 -3.77336 48.1276 -3.77337 17.3454 53.2787 48.1276 53.2787 -2.5844 GPRESSAVG: 834600 -33.353 -3.78957 48.262 -3.77017 18.6339 56.1523 49.5568 51.7781 -3.60718 TIMING: 834600 CPU: 2698.87, 0.00315735/step Wall: 2698.87, 0.00315735/step, 3.65323 hours remaining, 231.570312 MB of memory in use. ENERGY: 834600 3924.0450 20608.4345 14464.1345 252.1349 -203248.2285 2511.1194 0.0000 0.0000 52060.0909 -109428.2694 299.1901 -161488.3602 -109077.1203 299.0358 59.5184 79.9101 762112.9267 -6.1593 -6.1088 PRESSURE: 834800 4.83773 7.8282 38.7863 7.82781 -86.1344 -251.319 38.7868 -251.318 -242.504 GPRESSURE: 834800 -1.71543 -33.1957 108.768 28.595 -34.8291 -237.952 50.8341 -150.44 -186.757 PRESSAVG: 834800 38.3771 -16.6181 15.5577 -16.6181 -4.4609 -73.529 15.5577 -73.5291 21.811 GPRESSAVG: 834800 40.2724 -15.979 13.976 -17.0863 -6.28775 -75.1448 17.1026 -71.256 21.9683 TIMING: 834800 CPU: 2699.5, 0.00314167/step Wall: 2699.5, 0.00314167/step, 3.63492 hours remaining, 231.570312 MB of memory in use. ENERGY: 834800 4103.6261 20464.2260 14443.1120 258.9837 -203147.4799 2466.2085 0.0000 0.0000 51891.6257 -109519.6980 298.2219 -161411.3237 -109170.3704 299.0230 -107.9337 -74.4340 761499.8515 18.5757 18.6510 PRESSURE: 835000 -284.368 -118.642 -163.401 -118.642 -110.4 221.89 -163.401 221.889 31.4924 GPRESSURE: 835000 -227.15 -57.9761 -110.437 -28.8894 -63.6417 191.347 -108.565 155.794 12.6626 PRESSAVG: 835000 -21.759 -23.9448 13.8171 -23.9448 12.5928 -10.6761 13.8172 -10.6761 -15.0776 GPRESSAVG: 835000 -22.8674 -25.1572 16.2516 -23.1795 14.0501 -10.718 12.1297 -12.6228 -15.2488 TIMING: 835000 CPU: 2700.13, 0.00315811/step Wall: 2700.13, 0.00315811/step, 3.65376 hours remaining, 231.570312 MB of memory in use. ENERGY: 835000 3961.0772 20510.6861 14481.4826 247.6280 -203287.5572 2447.7018 0.0000 0.0000 52374.3977 -109264.5837 300.9964 -161638.9815 -108899.3566 299.7465 -121.0920 -92.7096 761392.9321 -8.0813 -8.0221 PRESSURE: 835200 497.028 65.7449 275.266 65.7449 368.391 27.5873 275.266 27.5871 190.258 GPRESSURE: 835200 458.663 70.5673 260.121 79.1349 445.669 36.6041 199.859 -26.7986 221.811 PRESSAVG: 835200 2.16102 -4.0886 16.2833 -4.08861 39.4258 -29.99 16.2833 -29.9901 1.17594 GPRESSAVG: 835200 2.59986 -4.0046 15.6067 -4.56968 39.1167 -30.0325 17.5401 -28.2633 1.03614 TIMING: 835200 CPU: 2700.76, 0.00315733/step Wall: 2700.76, 0.00315733/step, 3.65268 hours remaining, 231.570312 MB of memory in use. ENERGY: 835200 3966.7371 20467.3151 14447.2023 245.0639 -203182.6793 2505.4484 0.0000 0.0000 52320.9578 -109229.9547 300.6893 -161550.9125 -108865.7852 300.0168 351.8923 375.3810 759788.2262 14.2543 14.2509 PRESSURE: 835400 -79.6414 12.6458 -119.595 12.6445 15.1932 354.158 -119.596 354.159 65.7986 GPRESSURE: 835400 -14.7363 145.952 -66.3425 49.8465 97.4602 356.531 -131.743 343.328 -1.69916 PRESSAVG: 835400 -16.419 -30.2416 -0.35565 -30.2416 6.78685 6.01971 -0.355608 6.01973 -22.1748 GPRESSAVG: 835400 -16.5185 -29.6061 -1.41 -31.8321 6.51183 6.47222 -0.602677 3.70616 -21.5598 TIMING: 835400 CPU: 2701.4, 0.00316567/step Wall: 2701.4, 0.00316567/step, 3.66215 hours remaining, 231.570312 MB of memory in use. ENERGY: 835400 4044.8616 20471.3503 14394.7665 252.5978 -203073.4896 2420.6672 0.0000 0.0000 52273.5519 -109215.6943 300.4168 -161489.2463 -108851.1006 300.1186 0.4501 27.0082 759612.2117 -10.6023 -10.5221 PRESSURE: 835600 158.704 120.214 121.419 120.215 -76.5456 -125.794 121.419 -125.795 68.4006 GPRESSURE: 835600 136.616 123.913 146.779 60.287 16.5072 -83.6755 111.131 -35.2432 59.8246 PRESSAVG: 835600 -13.3116 27.0566 10.7704 27.0566 -17.9592 13.3615 10.7703 13.3615 23.321 GPRESSAVG: 835600 -14.9738 25.7991 13.0488 25.8066 -17.9862 13.6108 11.4222 12.7484 23.9594 TIMING: 835600 CPU: 2702.03, 0.00315391/step Wall: 2702.03, 0.00315391/step, 3.64838 hours remaining, 231.570312 MB of memory in use. ENERGY: 835600 4000.7374 20540.7584 14374.8818 248.4188 -203131.3687 2462.9972 0.0000 0.0000 52248.6194 -109254.9557 300.2735 -161503.5752 -108888.7775 300.3211 50.1862 70.9827 760439.1247 -2.6499 -3.0002 PRESSURE: 835800 192.158 -2.99395 -35.4735 -2.99372 162.644 -186.829 -35.4738 -186.828 61.7727 GPRESSURE: 835800 167.056 71.1286 -113.492 -21.5204 272.832 -121.16 -80.0645 -48.8282 69.1252 PRESSAVG: 835800 16.8441 -35.9337 -4.35264 -35.9337 4.35336 -8.86478 -4.35262 -8.86475 -9.68836 GPRESSAVG: 835800 16.4883 -34.4122 -5.89759 -34.5061 4.858 -8.60118 -4.2732 -5.33766 -9.23936 TIMING: 835800 CPU: 2702.66, 0.00316064/step Wall: 2702.66, 0.00316064/step, 3.65598 hours remaining, 231.570312 MB of memory in use. ENERGY: 835800 3959.0136 20574.1302 14457.0164 240.6516 -203296.2498 2549.2050 0.0000 0.0000 52272.8667 -109243.3664 300.4129 -161516.2331 -108874.4451 300.0277 138.8580 169.6708 759485.3523 3.8364 4.0357 PRESSURE: 836000 -458.523 144.369 86.0027 144.368 21.409 80.3848 86.0031 80.3833 -65.6184 GPRESSURE: 836000 -355.027 102.713 78.3779 125.374 30.3271 7.51807 28.6758 182.376 -112.352 PRESSAVG: 836000 12.7196 -17.879 -0.491515 -17.879 -15.4243 9.47022 -0.491528 9.47033 29.4659 GPRESSAVG: 836000 14.1342 -19.4913 0.430374 -16.1845 -14.6192 8.58868 -4.11147 7.77539 27.2147 TIMING: 836000 CPU: 2703.29, 0.00315837/step Wall: 2703.29, 0.00315837/step, 3.65319 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 836000 3931.8767 20541.2584 14466.1059 247.1451 -203337.2399 2360.1686 0.0000 0.0000 52285.0469 -109505.6385 300.4829 -161790.6853 -109128.5412 299.8099 -167.5775 -145.6840 760101.8168 8.9204 8.9099 PRESSURE: 836200 -330.032 -88.4559 -199.085 -88.4549 119.773 205.509 -199.084 205.508 29.467 GPRESSURE: 836200 -298.149 17.9789 -224.616 -57.0731 220.946 120.918 -94.85 209.203 -36.8714 PRESSAVG: 836200 -36.1949 -70.9535 -19.8472 -70.9535 40.6531 66.1478 -19.8471 66.1477 -22.8127 GPRESSAVG: 836200 -36.3715 -68.9982 -20.6469 -71.3264 40.1948 66.4111 -16.8063 65.1569 -22.362 TIMING: 836200 CPU: 2703.93, 0.00317773/step Wall: 2703.93, 0.00317773/step, 3.6754 hours remaining, 231.570312 MB of memory in use. ENERGY: 836200 3947.7428 20464.5876 14524.4985 251.7077 -203011.3475 2111.7439 0.0000 0.0000 52125.2559 -109585.8110 299.5646 -161711.0669 -109230.1560 299.4385 -60.2639 -38.0249 761279.1546 -6.1182 -6.1795 LDB: ============= START OF LOAD BALANCING ============== 2716.35 LDB: ============== END OF LOAD BALANCING =============== 2716.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2716.35 LDB: ============= START OF LOAD BALANCING ============== 2716.67 LDB: Largest compute 7075 load 0.037169 is 19.1% of average load 0.194252 LDB: Average compute 0.004395 is 2.3% of average load 0.194252 LDB: TIME 2716.67 LOAD: AVG 0.194252 MAX 0.213753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.133 MB LDB: TIME 2716.67 LOAD: AVG 0.194252 MAX 0.213753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.137 MB LDB: TIME 2716.67 LOAD: AVG 0.194252 MAX 0.213753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.137 MB LDB: ============== END OF LOAD BALANCING =============== 2716.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2716.68 PRESSURE: 836400 148.385 111.814 -147.419 111.814 -21.34 -151.647 -147.419 -151.646 19.9825 GPRESSURE: 836400 177.449 19.6545 -104.405 -10.8121 93.6705 -86.942 -170.771 -126.608 -38.7664 PRESSAVG: 836400 -85.4726 -66.8529 -35.5353 -66.8529 88.5517 61.245 -35.5354 61.245 -17.0504 GPRESSAVG: 836400 -86.998 -68.4765 -34.6274 -66.8458 89.9154 60.2507 -34.5664 61.9377 -17.2343 TIMING: 836400 CPU: 2704.58, 0.00324543/step Wall: 2704.58, 0.00324543/step, 3.75352 hours remaining, 231.585938 MB of memory in use. ENERGY: 836400 3880.1504 20487.8769 14414.2351 246.5103 -203265.4100 2550.1841 0.0000 0.0000 51886.7769 -109799.6763 298.1940 -161686.4532 -109446.3712 298.8196 49.0092 77.4512 761146.5629 -4.6571 -4.7723 PRESSURE: 836600 -198.891 -116.058 243.857 -116.058 -40.4328 209.077 243.857 209.078 215.079 GPRESSURE: 836600 -95.2624 -78.2279 241.387 -100.714 -9.49696 237.164 172.258 61.3426 168.215 PRESSAVG: 836600 1.00112 -40.8012 -18.3944 -40.8011 24.139 -55.4163 -18.3944 -55.4164 4.07655 GPRESSAVG: 836600 3.24592 -39.6737 -18.7758 -40.4277 21.5011 -53.2723 -18.817 -56.9901 4.66609 TIMING: 836600 CPU: 2705.21, 0.00315549/step Wall: 2705.21, 0.00315549/step, 3.64932 hours remaining, 231.789062 MB of memory in use. ENERGY: 836600 3951.8993 20583.3435 14379.8864 232.0915 -203095.2171 2208.6399 0.0000 0.0000 51917.2929 -109822.0635 298.3694 -161739.3564 -109462.4760 298.6260 -8.0818 21.1519 761135.5898 9.7389 9.8044 PRESSURE: 836800 71.7375 167.13 107.823 167.13 -352.304 12.6156 107.823 12.615 173.04 GPRESSURE: 836800 61.9499 85.1491 59.6808 215.661 -293.373 -9.23156 251.762 -37.2528 210.876 PRESSAVG: 836800 -36.3611 3.39862 12.7064 3.39867 3.87046 -35.4042 12.7064 -35.4042 1.68499 GPRESSAVG: 836800 -37.6472 2.67007 10.6768 2.46619 4.3102 -36.9167 12.2891 -33.0093 2.29217 TIMING: 836800 CPU: 2705.84, 0.00315637/step Wall: 2705.84, 0.00315637/step, 3.65017 hours remaining, 231.789062 MB of memory in use. ENERGY: 836800 3981.7057 20373.5054 14442.0288 244.2851 -203257.4248 2568.9068 0.0000 0.0000 51876.5482 -109770.4448 298.1352 -161646.9930 -109408.2023 299.0378 -35.8422 -6.8490 760349.6671 -10.2686 -10.3483 PRESSURE: 837000 -60.5139 -277.16 -1.70354 -277.162 11.3762 30.1209 -1.70338 30.1203 274.736 GPRESSURE: 837000 -11.3695 -297.384 106.069 -202.958 4.27414 16.2163 -25.0129 -83.5865 322.249 PRESSAVG: 837000 -32.0694 -17.6655 29.8346 -17.6655 70.665 -44.1158 29.8346 -44.1158 4.43481 GPRESSAVG: 837000 -32.8026 -16.5071 32.1604 -17.2803 71.5969 -43.224 28.5006 -44.0555 4.13888 TIMING: 837000 CPU: 2706.47, 0.00315134/step Wall: 2706.47, 0.00315134/step, 3.64418 hours remaining, 231.789062 MB of memory in use. ENERGY: 837000 3901.0270 20412.5903 14362.6915 217.3691 -203386.2164 2607.4423 0.0000 0.0000 52130.6587 -109754.4375 299.5956 -161885.0962 -109393.1753 299.0359 75.1995 105.0513 758404.9927 14.3435 14.3110 PRESSURE: 837200 -231.858 144.844 -43.5361 144.844 186.077 -205.714 -43.5359 -205.715 -291.163 GPRESSURE: 837200 -171.147 45.2632 -134.441 105.34 159.479 -183.167 21.0579 -67.7932 -211.061 PRESSAVG: 837200 -41.6048 0.0887519 -12.9856 0.0887231 56.0396 -4.27308 -12.9855 -4.27306 -1.29916 GPRESSAVG: 837200 -41.1238 2.10025 -14.2638 -1.89357 55.1065 -3.36953 -11.4743 -6.15559 -1.25831 TIMING: 837200 CPU: 2707.1, 0.0031658/step Wall: 2707.1, 0.0031658/step, 3.66071 hours remaining, 231.789062 MB of memory in use. ENERGY: 837200 4049.8393 20581.8158 14403.3035 245.2122 -202891.0161 2207.1063 0.0000 0.0000 51827.2303 -109576.5088 297.8518 -161403.7391 -109234.7598 299.1992 -112.3148 -74.2430 760021.5001 4.3786 4.2415 PRESSURE: 837400 -363.14 -47.1515 130.075 -47.1517 17.0064 -35.481 130.075 -35.4805 -129.562 GPRESSURE: 837400 -319.663 26.048 120.64 -152.555 23.2834 -19.4 46.9137 -36.675 -94.7503 PRESSAVG: 837400 -16.9434 -17.3827 8.20018 -17.3827 49.898 -40.6203 8.20017 -40.6203 -14.4407 GPRESSAVG: 837400 -16.8478 -19.6279 10.4432 -14.9284 49.7144 -42.6809 9.46005 -37.4693 -14.1729 TIMING: 837400 CPU: 2707.74, 0.00317204/step Wall: 2707.74, 0.00317204/step, 3.66776 hours remaining, 231.789062 MB of memory in use. ENERGY: 837400 3970.9499 20419.5233 14469.3114 245.3574 -203252.9614 2622.7335 0.0000 0.0000 52084.3253 -109440.7606 299.3293 -161525.0859 -109088.9863 299.0399 -158.5651 -130.3765 759938.4533 6.1713 6.2312 PRESSURE: 837600 129.887 31.055 -107.596 31.0556 -333.542 187.07 -107.595 187.069 -191.8 GPRESSURE: 837600 84.7325 64.0453 -55.4379 54.708 -210.163 130.862 -122.94 209.769 -190.212 PRESSAVG: 837600 -33.1553 16.9552 54.8749 16.9551 -0.331567 -38.5388 54.8748 -38.5387 9.79547 GPRESSAVG: 837600 -33.4015 18.1942 54.5262 16.5945 0.230188 -36.0834 52.8166 -40.2303 9.48153 TIMING: 837600 CPU: 2708.36, 0.0031328/step Wall: 2708.36, 0.0031328/step, 3.62221 hours remaining, 231.859375 MB of memory in use. ENERGY: 837600 3970.7283 20520.9478 14469.9075 259.7202 -203021.2280 2241.4915 0.0000 0.0000 52201.0254 -109357.4074 300.0000 -161558.4328 -109009.2339 299.3983 -131.8181 -105.2144 760574.0761 -7.8971 -7.8966 PRESSURE: 837800 37.7588 -59.8539 -227.879 -59.855 -112.999 219.842 -227.879 219.842 294.81 GPRESSURE: 837800 73.8513 -133.935 -192.708 -167.397 -70.6044 156.173 -321.272 219.921 317.083 PRESSAVG: 837800 -15.7145 -9.71882 3.07716 -9.71888 39.8155 -6.4357 3.0771 -6.43579 3.36313 GPRESSAVG: 837800 -15.3814 -11.3266 1.04563 -10.7937 39.5351 -9.40355 2.80149 -6.51209 3.23546 TIMING: 837800 CPU: 2709, 0.00317128/step Wall: 2709, 0.00317128/step, 3.66652 hours remaining, 231.859375 MB of memory in use. ENERGY: 837800 3974.1945 20379.1291 14459.9340 254.5503 -203761.8747 2743.7705 0.0000 0.0000 52229.8600 -109720.4363 300.1657 -161950.2962 -109359.6455 299.5620 73.1899 106.7768 759167.4537 9.1547 9.1297 PRESSURE: 838000 431.41 45.8854 -36.4929 45.8854 314.448 133.142 -36.4933 133.142 129.378 GPRESSURE: 838000 535.949 26.8259 6.57985 -47.4086 303.231 147.532 -42.7553 55.6747 112.617 PRESSAVG: 838000 55.7813 -49.2726 -9.02029 -49.2727 -11.7461 23.3688 -9.02028 23.3688 -5.01615 GPRESSAVG: 838000 55.569 -50.3598 -8.42252 -47.8221 -12.2051 25.2981 -8.06511 21.8507 -4.98851 TIMING: 838000 CPU: 2709.63, 0.00317072/step Wall: 2709.63, 0.00317072/step, 3.6657 hours remaining, 231.859375 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: 838000 3919.0080 20514.7866 14505.4674 235.9460 -203384.9334 2516.2917 0.0000 0.0000 51947.3842 -109746.0496 298.5423 -161693.4338 -109389.5262 299.5972 291.7456 317.2655 758156.2501 13.0063 12.7918 PRESSURE: 838200 -140.966 -109.794 -219.532 -109.795 -133.269 -260.368 -219.532 -260.368 115.837 GPRESSURE: 838200 -96.041 -102.576 -149.897 -62.2424 -41.4432 -288.823 -273.117 -141.392 63.7757 PRESSAVG: 838200 62.742 -14.1379 -11.5044 -14.1379 -48.9614 -26.5402 -11.5044 -26.5402 -7.27101 GPRESSAVG: 838200 62.7495 -13.4211 -12.8123 -15.6137 -48.0218 -26.7894 -10.8693 -26.8012 -8.15657 TIMING: 838200 CPU: 2710.26, 0.00315693/step Wall: 2710.26, 0.00315693/step, 3.64959 hours remaining, 231.859375 MB of memory in use. ENERGY: 838200 3905.8717 20649.0412 14459.0556 257.5304 -203361.0031 2375.3334 0.0000 0.0000 52065.3548 -109648.8160 299.2203 -161714.1708 -109290.4237 299.4968 -52.7993 -24.5695 758883.3279 2.1699 2.1904 PRESSURE: 838400 -72.408 2.02419 265.285 2.02436 -140.482 -221.012 265.284 -221.011 234.338 GPRESSURE: 838400 -99.401 74.606 143.859 1.19447 -46.7001 -222.659 342.117 -164.836 255.079 PRESSAVG: 838400 -0.646241 -47.9883 -45.79 -47.9883 11.5763 -69.5565 -45.79 -69.5564 12.8019 GPRESSAVG: 838400 -0.611244 -49.5776 -44.9116 -46.3971 10.9186 -71.0225 -46.7475 -68.0559 12.8127 TIMING: 838400 CPU: 2710.9, 0.00317493/step Wall: 2710.9, 0.00317493/step, 3.67022 hours remaining, 231.859375 MB of memory in use. ENERGY: 838400 3935.0418 20593.3757 14400.2314 250.5075 -203097.5526 2285.5235 0.0000 0.0000 52063.0163 -109569.8566 299.2069 -161632.8728 -109202.8141 299.1744 7.1493 36.3260 761196.3606 7.9107 7.7067 PRESSURE: 838600 -257.748 -41.1651 -16.7036 -41.1642 -249.593 10.6645 -16.7039 10.6645 128.933 GPRESSURE: 838600 -272.917 32.2488 9.63475 -124.988 -67.6807 -78.2271 -116.039 84.4665 46.4914 PRESSAVG: 838600 -59.1554 -38.691 -4.50719 -38.691 55.4564 -52.0141 -4.50717 -52.0142 -5.56928 GPRESSAVG: 838600 -60.1602 -35.374 -5.14138 -40.4254 55.7696 -51.5667 -2.46088 -51.6621 -5.10904 TIMING: 838600 CPU: 2711.53, 0.00316312/step Wall: 2711.53, 0.00316312/step, 3.65639 hours remaining, 231.859375 MB of memory in use. ENERGY: 838600 3936.1479 20441.4248 14417.8056 247.8315 -203468.9571 2443.8840 0.0000 0.0000 52119.6428 -109862.2205 299.5323 -161981.8633 -109504.9574 299.4744 -126.1362 -98.0353 759730.3633 -3.0894 -3.1665 PRESSURE: 838800 205.997 -160.807 145.764 -160.807 -88.8527 19.1476 145.764 19.148 -38.8769 GPRESSURE: 838800 235.663 -116.493 111.262 -79.4238 -55.2007 29.8662 101.715 63.5301 -11.6278 PRESSAVG: 838800 -39.2318 -33.2302 -4.08477 -33.2301 -9.13489 -52.3714 -4.08478 -52.3715 -14.9755 GPRESSAVG: 838800 -38.3696 -33.0837 -2.83588 -31.7062 -10.0924 -50.7136 -5.49028 -55.5203 -15.2368 TIMING: 838800 CPU: 2712.16, 0.00313368/step Wall: 2712.16, 0.00313368/step, 3.62218 hours remaining, 231.859375 MB of memory in use. ENERGY: 838800 3905.4370 20477.9200 14430.4726 231.3218 -203133.4820 2489.7706 0.0000 0.0000 51843.3344 -109755.2256 297.9444 -161598.5600 -109394.5999 299.0937 26.0892 56.2781 762034.0967 -21.1141 -21.2329 PRESSURE: 839000 273.33 -58.3725 119 -58.3729 127.627 -248.514 119 -248.514 -249.904 GPRESSURE: 839000 334.671 62.1912 141.139 -47.0261 83.2178 -224.022 142.032 -263.244 -197.034 PRESSAVG: 839000 -28.1154 -12.5911 -18.9508 -12.5911 -12.5013 -44.1143 -18.9508 -44.1143 -7.78429 GPRESSAVG: 839000 -28.9176 -12.6299 -18.6969 -13.6214 -12.9246 -45.4153 -18.7555 -42.3808 -6.15443 TIMING: 839000 CPU: 2712.79, 0.00314481/step Wall: 2712.79, 0.00314481/step, 3.63487 hours remaining, 231.859375 MB of memory in use. ENERGY: 839000 4034.4909 20528.4828 14534.8308 243.9645 -203513.7454 2373.3994 0.0000 0.0000 52254.3581 -109544.2189 300.3065 -161798.5770 -109177.7990 299.0539 50.3510 73.6185 760039.9312 -16.1337 -15.9989 PRESSURE: 839200 -183.752 -181.832 -137.501 -181.832 -122.753 -218.617 -137.501 -218.617 -256.783 GPRESSURE: 839200 -99.4682 -254.577 -194.072 -53.6433 -137.948 -235.82 47.7234 -227.402 -247.852 PRESSAVG: 839200 28.012 -16.4361 46.7902 -16.436 -10.4437 -74.9748 46.7902 -74.9748 -3.2917 GPRESSAVG: 839200 27.5146 -18.7297 45.6822 -16.4276 -7.63066 -76.3816 45.9962 -73.6927 -5.00899 TIMING: 839200 CPU: 2713.42, 0.00315831/step Wall: 2713.42, 0.00315831/step, 3.6503 hours remaining, 231.859375 MB of memory in use. ENERGY: 839200 4023.7047 20589.5643 14463.3466 252.8852 -203609.0857 2467.3860 0.0000 0.0000 52247.9305 -109564.2684 300.2696 -161812.1989 -109197.6684 299.9715 -187.7625 -161.7563 758795.9493 4.7588 4.9583 PRESSURE: 839400 -383.173 -70.8839 -53.1628 -70.8835 -133.934 -33.33 -53.1622 -33.3293 254.806 GPRESSURE: 839400 -212.627 -68.9608 -46.7322 -5.58493 -209.525 -126.367 57.3923 7.22005 247.825 PRESSAVG: 839400 -4.59986 -41.7895 -9.56421 -41.7896 25.3852 -8.33923 -9.56423 -8.33918 7.42887 GPRESSAVG: 839400 -4.28904 -39.0832 -7.96952 -41.2596 25.1629 -6.06464 -8.23345 -10.4576 7.47958 TIMING: 839400 CPU: 2714.05, 0.00315436/step Wall: 2714.05, 0.00315436/step, 3.64556 hours remaining, 231.859375 MB of memory in use. ENERGY: 839400 4035.1226 20392.4431 14453.5337 233.6312 -203045.1851 2238.6361 0.0000 0.0000 52033.2998 -109658.5186 299.0361 -161691.8184 -109292.6371 299.1748 -87.4336 -58.1093 760336.6334 9.4048 9.4511 PRESSURE: 839600 258.319 -87.9232 -22.5283 -87.9239 -202.422 -339.569 -22.5287 -339.569 507.284 GPRESSURE: 839600 228.011 -15.465 36.6555 -130.026 -116.134 -332.041 30.3039 -239.608 540.403 PRESSAVG: 839600 -45.9501 -38.497 -2.37936 -38.497 20.193 -4.90328 -2.37932 -4.90337 -13.6114 GPRESSAVG: 839600 -45.5053 -38.9825 -2.32809 -39.5507 20.2942 -5.03596 -4.54868 -5.16001 -14.22 TIMING: 839600 CPU: 2714.68, 0.00315639/step Wall: 2714.68, 0.00315639/step, 3.64774 hours remaining, 231.859375 MB of memory in use. ENERGY: 839600 3964.3205 20653.5030 14418.4175 236.5137 -203784.7007 2982.9018 0.0000 0.0000 51999.8737 -109529.1704 298.8440 -161529.0441 -109177.3143 299.6095 187.7270 217.4270 760839.5005 -13.1228 -13.1437 PRESSURE: 839800 -214.801 -57.7401 147.444 -57.74 -19.5154 -13.016 147.444 -13.0166 -322.341 GPRESSURE: 839800 -240.163 -89.4996 151.856 -94.6471 74.6997 -32.8642 103.581 -15.9069 -312.606 PRESSAVG: 839800 12.7 -58.8448 32.9491 -58.8448 -46.6292 -60.1082 32.9491 -60.1083 29.3712 GPRESSAVG: 839800 11.7315 -60.69 33.7134 -59.0347 -45.9939 -60.839 32.7111 -58.301 29.3203 TIMING: 839800 CPU: 2715.31, 0.00313096/step Wall: 2715.31, 0.00313096/step, 3.61817 hours remaining, 231.859375 MB of memory in use. ENERGY: 839800 4081.8536 20535.6387 14448.0963 248.5865 -203301.2335 2575.7145 0.0000 0.0000 51850.1002 -109561.2437 297.9832 -161411.3439 -109197.4312 299.2021 -185.5525 -159.3563 760394.0294 -1.5193 -1.6474 PRESSURE: 840000 -48.2002 -44.1536 41.5751 -44.1535 -199.47 -139.836 41.5746 -139.837 -150.962 GPRESSURE: 840000 97.3875 -89.3063 61.3771 -157.338 -209.512 -88.3595 -33.9756 -159.83 -217.368 PRESSAVG: 840000 -30.198 -73.9856 23.2504 -73.9855 7.80788 -82.839 23.2505 -82.8391 7.64066 GPRESSAVG: 840000 -29.3394 -73.1625 21.2399 -71.843 6.95218 -81.3375 24.6933 -85.2245 8.06397 TIMING: 840000 CPU: 2715.93, 0.00313999/step Wall: 2715.93, 0.00313999/step, 3.62843 hours remaining, 231.859375 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: 840000 3967.9871 20541.1438 14398.6036 228.2330 -203344.1619 2537.7372 0.0000 0.0000 52054.5632 -109615.8938 299.1583 -161670.4571 -109250.3879 299.2001 -132.8775 -109.8308 763249.0367 -4.9165 -4.7744 PRESSURE: 840200 -313.262 -0.0394975 119.394 -0.0387046 -265.944 34.3021 119.394 34.3019 -309.391 GPRESSURE: 840200 -327.682 -64.3144 149.358 -77.7962 -151.86 14.0067 187.727 11.5291 -310.361 PRESSAVG: 840200 36.3242 -68.2478 72.215 -68.2478 -26.7948 -20.3801 72.215 -20.38 4.65662 GPRESSAVG: 840200 36.0748 -68.7922 72.3108 -69.5122 -26.7983 -21.3502 68.6965 -19.0541 4.94129 TIMING: 840200 CPU: 2716.57, 0.00316165/step Wall: 2716.57, 0.00316165/step, 3.65328 hours remaining, 231.859375 MB of memory in use. ENERGY: 840200 4001.5801 20505.9897 14463.9755 252.1948 -203242.1633 2566.3661 0.0000 0.0000 52100.8736 -109351.1836 299.4244 -161452.0572 -108995.0087 299.8857 -296.1991 -263.3010 761860.8838 4.7287 4.7393 LDB: ============= START OF LOAD BALANCING ============== 2728.99 LDB: ============== END OF LOAD BALANCING =============== 2728.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2728.99 LDB: ============= START OF LOAD BALANCING ============== 2729.3 LDB: Largest compute 7075 load 0.037805 is 19.5% of average load 0.194212 LDB: Average compute 0.004414 is 2.3% of average load 0.194212 LDB: TIME 2729.31 LOAD: AVG 0.194212 MAX 0.213113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.66 MB LDB: TIME 2729.31 LOAD: AVG 0.194212 MAX 0.213113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.793 MB LDB: TIME 2729.31 LOAD: AVG 0.194212 MAX 0.213113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.793 MB LDB: ============== END OF LOAD BALANCING =============== 2729.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2729.31 PRESSURE: 840400 -123.948 5.07727 -178.938 5.07659 -146.313 -482.36 -178.939 -482.36 -226.492 GPRESSURE: 840400 -27.5998 23.9768 -184.341 14.6768 -151.86 -433.208 -202.446 -382.203 -227.767 PRESSAVG: 840400 15.6662 29.3988 -26.6798 29.3988 -60.1039 -14.762 -26.6797 -14.7619 -1.27261 GPRESSAVG: 840400 16.329 30.8803 -25.8811 30.759 -59.22 -13.6372 -23.9419 -14.6507 -2.43793 TIMING: 840400 CPU: 2717.21, 0.00321139/step Wall: 2717.21, 0.00321139/step, 3.71058 hours remaining, 230.816406 MB of memory in use. ENERGY: 840400 3985.4423 20398.3187 14479.1671 245.8728 -203441.4216 2623.4274 0.0000 0.0000 52221.6688 -109487.5246 300.1186 -161709.1934 -109107.3787 300.1850 -165.5843 -135.7420 760428.1855 -15.2367 -15.1096 PRESSURE: 840600 321.47 39.8502 -54.3565 39.8509 320.458 -96.0151 -54.3572 -96.0151 252.715 GPRESSURE: 840600 345.326 133.681 1.66272 -9.02562 388.134 -85.7212 -87.2957 -30.1889 263.524 PRESSAVG: 840600 -11.1496 -4.28689 50.2911 -4.28698 -1.60082 18.6909 50.2911 18.6909 -16.8009 GPRESSAVG: 840600 -12.5441 -3.30346 50.7791 -5.65444 -1.70879 19.217 50.9293 17.1316 -15.622 TIMING: 840600 CPU: 2717.84, 0.00315407/step Wall: 2717.84, 0.00315407/step, 3.64418 hours remaining, 231.019531 MB of memory in use. ENERGY: 840600 3978.9253 20444.7581 14433.2447 249.8542 -204020.3748 2816.4314 0.0000 0.0000 52477.4845 -109619.6767 301.5888 -162097.1612 -109246.6025 299.8403 298.2144 332.3280 760240.4475 -9.8504 -9.9583 PRESSURE: 840800 -447.825 -215.432 196.768 -215.432 -213.567 145.911 196.769 145.912 -295.913 GPRESSURE: 840800 -386.132 -134.771 321.648 -114.517 -178.929 60.2811 158.648 39.4618 -291.293 PRESSAVG: 840800 -29.4442 -49.5984 38.9205 -49.5984 67.2272 13.1614 38.9205 13.1614 1.6026 GPRESSAVG: 840800 -28.4764 -51.2462 39.2661 -49.13 67.2897 12.1262 38.7883 12.2738 0.696409 TIMING: 840800 CPU: 2718.47, 0.0031663/step Wall: 2718.47, 0.0031663/step, 3.65813 hours remaining, 231.019531 MB of memory in use. ENERGY: 840800 3978.2865 20585.9525 14426.4022 229.6107 -203526.4598 2464.0709 0.0000 0.0000 52396.3666 -109445.7704 301.1226 -161842.1370 -109071.2042 300.0137 -319.1016 -285.4514 762521.2772 13.1285 13.1699 PRESSURE: 841000 10.8384 -30.256 -126.833 -30.2557 -260.085 -91.2353 -126.833 -91.2352 -300.125 GPRESSURE: 841000 5.22281 1.13945 -117.435 9.60564 -239.955 -55.2745 -332.873 64.975 -240.232 PRESSAVG: 841000 -33.1911 -64.9114 6.01574 -64.9114 42.6979 6.10166 6.01579 6.10169 -10.0793 GPRESSAVG: 841000 -31.988 -63.3293 7.0981 -63.9135 40.3354 7.50752 4.07286 8.51203 -8.86562 TIMING: 841000 CPU: 2719.1, 0.00315283/step Wall: 2719.1, 0.00315283/step, 3.64239 hours remaining, 231.019531 MB of memory in use. ENERGY: 841000 4006.0864 20502.4646 14400.2971 234.8734 -202963.5907 2505.1471 0.0000 0.0000 52229.5946 -109085.1276 300.1642 -161314.7222 -108714.1065 300.0977 -183.1241 -158.3212 762049.1668 -0.1908 -0.1727 PRESSURE: 841200 54.2573 288.337 -165.441 288.337 103.115 -23.2411 -165.441 -23.2414 -40.4375 GPRESSURE: 841200 56.8234 259.224 -192.232 223.974 101.576 -50.014 -98.1177 58.0433 60.9103 PRESSAVG: 841200 -41.1129 -14.1188 5.73733 -14.1187 24.2938 50.7969 5.73733 50.797 4.35383 GPRESSAVG: 841200 -41.3949 -14.1047 4.81554 -15.0234 25.8721 50.1769 5.49936 49.0239 3.73179 TIMING: 841200 CPU: 2719.73, 0.00315105/step Wall: 2719.73, 0.00315105/step, 3.64017 hours remaining, 231.019531 MB of memory in use. ENERGY: 841200 3971.2836 20535.6682 14440.0924 259.9241 -203177.6873 2710.2774 0.0000 0.0000 52044.0314 -109216.4102 299.0978 -161260.4415 -108854.2265 300.0666 38.9784 73.1033 760794.6831 -4.1551 -3.9303 PRESSURE: 841400 282.693 -191.171 -285.502 -191.17 247.469 -119.761 -285.502 -119.76 251.036 GPRESSURE: 841400 370.023 -147.807 -255.022 -146.156 332.579 -77.042 -206.526 -121.678 162.642 PRESSAVG: 841400 -6.49567 -21.0357 2.99733 -21.0356 -5.64092 -28.3981 2.99734 -28.3981 -3.34839 GPRESSAVG: 841400 -7.19697 -21.5836 2.69711 -21.0907 -4.91549 -29.2282 7.82518 -27.979 -2.97515 TIMING: 841400 CPU: 2720.37, 0.00316893/step Wall: 2720.37, 0.00316893/step, 3.66064 hours remaining, 231.019531 MB of memory in use. ENERGY: 841400 3979.3584 20598.6204 14466.8392 262.1008 -203795.1101 2877.5162 0.0000 0.0000 52156.9745 -109453.7007 299.7468 -161610.6751 -109091.2679 299.8254 260.3995 288.4146 759847.4237 -5.1617 -5.0292 PRESSURE: 841600 50.5102 75.6598 -229.252 75.6601 205.621 165.848 -229.252 165.848 226.588 GPRESSURE: 841600 107.217 -33.326 -206.786 -23.9495 205.013 160.501 -244.484 82.7836 279.356 PRESSAVG: 841600 -25.6327 -3.39974 -13.2588 -3.39966 -26.2517 -10.5925 -13.2588 -10.5924 9.9466 GPRESSAVG: 841600 -24.614 -4.22083 -13.3464 -2.53694 -27.1763 -11.8254 -14.891 -9.22515 9.81014 TIMING: 841600 CPU: 2721, 0.00315898/step Wall: 2721, 0.00315898/step, 3.64897 hours remaining, 231.019531 MB of memory in use. ENERGY: 841600 4088.6195 20419.3598 14411.3518 239.4993 -203279.8690 2622.5899 0.0000 0.0000 51883.4110 -109615.0377 298.1747 -161498.4487 -109249.9922 299.5419 160.9065 197.1953 760276.9048 -13.9793 -13.9934 PRESSURE: 841800 -308.756 -42.8529 -5.89024 -42.8532 76.7682 13.9369 -5.89037 13.936 94.8003 GPRESSURE: 841800 -261.623 -103.47 3.93716 -79.374 20.0434 28.7448 -86.155 37.2837 185.269 PRESSAVG: 841800 -29.9168 -62.5438 -3.00015 -62.5438 12.5401 -39.8807 -3.00015 -39.8807 -14.7144 GPRESSAVG: 841800 -29.7264 -61.5969 -2.97358 -61.7724 13.1794 -38.4718 -4.91989 -42.2671 -15.1936 TIMING: 841800 CPU: 2721.63, 0.00316634/step Wall: 2721.63, 0.00316634/step, 3.6573 hours remaining, 231.019531 MB of memory in use. ENERGY: 841800 4004.4550 20583.6571 14418.3332 259.1605 -203667.6851 2650.4652 0.0000 0.0000 52155.1337 -109596.4803 299.7363 -161751.6141 -109238.1722 299.0683 -45.7293 -18.7702 760112.0224 -10.6970 -10.5802 PRESSURE: 842000 -213.215 -191.18 12.198 -191.182 -114.381 -85.7478 12.1982 -85.7485 -152.484 GPRESSURE: 842000 -162.833 -75.1001 23.6127 -254.146 -33.3747 -79.4749 27.105 -63.8537 -187.386 PRESSAVG: 842000 -22.2229 -108.352 -20.3422 -108.352 69.6947 -41.1551 -20.3422 -41.1552 2.43071 GPRESSAVG: 842000 -22.4652 -109.393 -19.9162 -109.264 69.7007 -42.5309 -19.8024 -38.9819 2.51495 TIMING: 842000 CPU: 2722.27, 0.00317284/step Wall: 2722.27, 0.00317284/step, 3.66464 hours remaining, 231.019531 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: 842000 3886.6012 20642.5812 14529.9655 250.5603 -203390.1276 2383.7746 0.0000 0.0000 52296.5763 -109400.0684 300.5491 -161696.6448 -109036.3129 299.7737 -160.0270 -127.8646 760263.8642 16.6342 16.5835 PRESSURE: 842200 250.707 -276.365 -54.9109 -276.365 269.604 260.244 -54.9111 260.243 293.127 GPRESSURE: 842200 207.874 -296.539 -83.993 -198.688 325.829 266.407 23.3445 91.921 351.394 PRESSAVG: 842200 -59.0803 -63.5093 5.94455 -63.5093 33.0094 21.5739 5.94464 21.574 -12.9905 GPRESSAVG: 842200 -59.8596 -62.9073 5.25847 -61.889 32.0932 22.4922 4.37571 21.4942 -11.6435 TIMING: 842200 CPU: 2722.9, 0.00314447/step Wall: 2722.9, 0.00314447/step, 3.63169 hours remaining, 231.019531 MB of memory in use. ENERGY: 842200 3925.7946 20751.6101 14467.5034 245.2728 -203470.4030 2694.6044 0.0000 0.0000 51906.3644 -109479.2533 298.3066 -161385.6177 -109136.4396 299.5941 271.1459 295.0322 760639.7307 -13.0205 -13.1366 PRESSURE: 842400 -426.394 -179.822 24.114 -179.823 -20.889 -5.18339 24.1139 -5.18326 -231.263 GPRESSURE: 842400 -413.35 -240.851 -9.16568 -171.588 -0.588143 -28.0337 44.7362 -94.4931 -190.38 PRESSAVG: 842400 -15.8359 -10.2512 -24.5969 -10.2512 1.16207 14.0993 -24.5969 14.0993 2.20576 GPRESSAVG: 842400 -15.9358 -10.3359 -23.7595 -10.561 1.51713 13.1306 -22.6098 13.713 1.72549 TIMING: 842400 CPU: 2723.53, 0.00317732/step Wall: 2723.53, 0.00317732/step, 3.66945 hours remaining, 231.019531 MB of memory in use. ENERGY: 842400 4008.6199 20529.3420 14503.4306 250.3046 -203407.6395 2425.8455 0.0000 0.0000 52095.5069 -109594.5901 299.3936 -161690.0969 -109239.4555 299.5244 -226.1821 -201.4393 759684.6138 -4.1560 -4.2310 PRESSURE: 842600 -189.198 2.98571 40.6766 2.98564 336.488 113.88 40.6769 113.88 245.634 GPRESSURE: 842600 -127.965 0.838836 61.4637 -78.9241 382.139 127.135 -61.5118 67.076 227.91 PRESSAVG: 842600 -27.1457 -21.4148 16.1494 -21.4149 57.0438 28.9565 16.1494 28.9566 24.0766 GPRESSAVG: 842600 -26.822 -21.4501 15.6589 -22.687 56.2112 29.49 15.9387 27.21 23.8715 TIMING: 842600 CPU: 2724.16, 0.00315204/step Wall: 2724.16, 0.00315204/step, 3.64008 hours remaining, 231.019531 MB of memory in use. ENERGY: 842600 3961.1834 20434.5365 14376.2448 247.2713 -203465.0097 2658.8394 0.0000 0.0000 52210.1020 -109576.8322 300.0522 -161786.9342 -109217.9097 299.4793 130.9746 160.6946 760458.0721 17.9916 17.7536 PRESSURE: 842800 -98.8447 -262.428 -79.4612 -262.427 378.489 -39.2427 -79.4624 -39.2422 109.489 GPRESSURE: 842800 -41.5789 -229.676 -57.7094 -167.45 404.641 -17.9824 -41.3857 -50.3165 118.973 PRESSAVG: 842800 -72.4129 -64.4926 -0.0464206 -64.4925 91.8976 -24.137 -0.0463941 -24.137 21.0095 GPRESSAVG: 842800 -72.5354 -64.2122 -0.140912 -61.9435 91.6695 -21.9443 1.17874 -23.2753 20.8983 TIMING: 842800 CPU: 2724.79, 0.00315139/step Wall: 2724.79, 0.00315139/step, 3.63915 hours remaining, 231.019531 MB of memory in use. ENERGY: 842800 3940.4827 20499.3206 14477.9406 240.8980 -203299.1307 2457.2331 0.0000 0.0000 52082.0129 -109601.2428 299.3160 -161683.2558 -109235.1069 299.6791 129.7112 160.6783 759811.6526 13.4981 13.3441 PRESSURE: 843000 -172.146 -16.7892 59.5354 -16.7895 -108.873 182.776 59.5351 182.776 -400.571 GPRESSURE: 843000 -67.4758 13.3703 27.6911 -125.229 -97.5365 106.097 215.429 224.127 -422.129 PRESSAVG: 843000 -47.1383 -13.9007 28.3824 -13.9007 72.1289 -48.9132 28.3825 -48.9131 0.0271816 GPRESSAVG: 843000 -48.0166 -13.9381 28.5164 -16.3644 73.9679 -50.7022 28.5276 -46.7309 -0.773314 TIMING: 843000 CPU: 2725.43, 0.00318978/step Wall: 2725.43, 0.00318978/step, 3.68331 hours remaining, 231.019531 MB of memory in use. ENERGY: 843000 3970.4473 20359.8119 14360.6603 250.9998 -202765.1571 2135.8834 0.0000 0.0000 52054.2252 -109633.1293 299.1563 -161687.3545 -109267.0254 299.4464 -227.1968 -195.7139 760564.7002 8.3392 8.3926 PRESSURE: 843200 -77.7154 113.38 12.9529 113.38 -37.1507 443.197 12.9517 443.196 -313.492 GPRESSURE: 843200 27.4364 10.029 -38.4307 164.541 -57.8343 417.039 -0.476571 503.419 -281.277 PRESSAVG: 843200 4.90154 -35.4959 35.3421 -35.4959 29.9473 -0.300727 35.342 -0.300753 4.1134 GPRESSAVG: 843200 5.84036 -37.2837 33.2308 -35.1961 28.009 0.276353 34.5111 -0.572899 5.94797 TIMING: 843200 CPU: 2726.06, 0.00316812/step Wall: 2726.06, 0.00316812/step, 3.65812 hours remaining, 231.019531 MB of memory in use. ENERGY: 843200 3941.1643 20527.9202 14476.6103 255.2287 -203222.7328 2294.8057 0.0000 0.0000 52114.2303 -109612.7732 299.5012 -161727.0036 -109259.5782 299.1978 -142.7859 -103.8918 759020.2967 12.9874 13.2658 PRESSURE: 843400 -108.299 -171.098 -177.656 -171.098 -317.739 -57.0659 -177.657 -57.0666 160.494 GPRESSURE: 843400 -78.3439 -35.3367 -138.067 -119.498 -204.833 -41.5474 -104.404 -50.376 121.108 PRESSAVG: 843400 -4.09332 -28.0899 -3.14114 -28.09 2.85683 11.5995 -3.1412 11.5995 -13.2348 GPRESSAVG: 843400 -4.57972 -25.4048 -1.19232 -26.2707 4.13816 10.829 -2.68739 10.9963 -14.0781 TIMING: 843400 CPU: 2726.7, 0.00317276/step Wall: 2726.7, 0.00317276/step, 3.6633 hours remaining, 231.019531 MB of memory in use. ENERGY: 843400 3976.4172 20536.7749 14462.5997 264.6326 -203625.5120 2488.6423 0.0000 0.0000 52072.1187 -109824.3266 299.2592 -161896.4453 -109456.6375 298.8254 -88.5147 -54.0230 759619.3174 -4.8238 -4.8399 PRESSURE: 843600 138.191 129.887 62.0256 129.887 -226.626 -310.548 62.0252 -310.547 -1.99656 GPRESSURE: 843600 132.282 -15.1248 3.1493 2.66682 -162.673 -376.712 2.81124 -212.147 39.5176 PRESSAVG: 843600 2.8574 -42.2588 24.8146 -42.2587 -15.1279 46.5417 24.8146 46.5417 10.0741 GPRESSAVG: 843600 3.95295 -42.73 23.7303 -43.4733 -15.6415 48.5231 23.6508 48.0797 10.003 TIMING: 843600 CPU: 2727.33, 0.00316964/step Wall: 2727.33, 0.00316964/step, 3.65953 hours remaining, 231.019531 MB of memory in use. ENERGY: 843600 4000.1001 20643.5372 14447.2800 239.3654 -203354.9069 2345.3207 0.0000 0.0000 51783.4559 -109895.8476 297.6002 -161679.3034 -109532.4277 298.8989 -30.1441 3.0422 760511.5073 -0.7322 -0.5619 PRESSURE: 843800 -34.8776 188.273 -48.5727 188.273 435.386 -12.7371 -48.5728 -12.7365 -45.0826 GPRESSURE: 843800 38.8705 75.1108 -20.6939 172.644 368.164 -64.8476 -6.48619 -5.66385 35.0841 PRESSAVG: 843800 -31.3853 -39.758 57.3488 -39.758 18.7957 -9.28051 57.3488 -9.28035 17.9747 GPRESSAVG: 843800 -33.5016 -38.8975 57.8017 -39.4295 19.5851 -10.4901 57.2 -9.32146 18.8994 TIMING: 843800 CPU: 2727.97, 0.00318823/step Wall: 2727.97, 0.00318823/step, 3.68081 hours remaining, 231.019531 MB of memory in use. ENERGY: 843800 3981.8085 20476.9019 14434.7799 260.3821 -203849.7563 2625.6855 0.0000 0.0000 52132.9374 -109937.2609 299.6087 -162070.1984 -109575.0591 298.5192 118.4752 147.3729 759758.7380 1.7950 1.6610 PRESSURE: 844000 -62.6941 -97.5725 -191.384 -97.5705 216.835 -154.556 -191.384 -154.556 68.8193 GPRESSURE: 844000 -48.1173 -165.169 -211.304 -46.3164 289.395 -67.2831 -231.395 -13.4132 65.423 PRESSAVG: 844000 -17.0791 -26.0724 -0.397188 -26.0724 34.3709 13.2273 -0.397234 13.2272 -2.50022 GPRESSAVG: 844000 -16.2941 -27.0489 0.0958786 -25.6525 33.17 11.8073 -1.12828 9.10092 -2.47018 TIMING: 844000 CPU: 2728.6, 0.00315961/step Wall: 2728.6, 0.00315961/step, 3.64759 hours remaining, 231.019531 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: 844000 3903.0053 20552.6945 14407.0785 258.7912 -203745.6195 2630.4262 0.0000 0.0000 52248.5381 -109745.0857 300.2731 -161993.6238 -109382.4215 299.0086 74.3200 102.2334 759504.9780 4.9306 4.8019 PRESSURE: 844200 -365.474 -66.1665 -92.0512 -66.1675 -200.891 49.4406 -92.0519 49.44 292.258 GPRESSURE: 844200 -298.809 79.048 -115.677 -75.2895 -213.541 156.299 33.2603 -58.5536 313.976 PRESSAVG: 844200 7.86598 -11.8061 17.1336 -11.8062 15.9688 -14.9304 17.1336 -14.9304 -33.8607 GPRESSAVG: 844200 7.11869 -12.0882 16.2006 -12.3168 17.8616 -13.5936 20.4939 -12.6634 -35.2049 TIMING: 844200 CPU: 2729.23, 0.00313853/step Wall: 2729.23, 0.00313853/step, 3.62309 hours remaining, 231.019531 MB of memory in use. ENERGY: 844200 3979.9181 20578.5025 14452.0233 259.6060 -203667.7324 2573.5478 0.0000 0.0000 52221.2541 -109602.8807 300.1163 -161824.1349 -109243.1833 299.5587 -91.3689 -66.1247 759895.7032 -3.3420 -3.4082 LDB: ============= START OF LOAD BALANCING ============== 2741.65 LDB: ============== END OF LOAD BALANCING =============== 2741.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2741.65 LDB: ============= START OF LOAD BALANCING ============== 2741.97 LDB: Largest compute 7075 load 0.038983 is 20.1% of average load 0.194239 LDB: Average compute 0.004359 is 2.2% of average load 0.194239 LDB: TIME 2741.97 LOAD: AVG 0.194239 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 2741.97 LOAD: AVG 0.194239 MAX 0.215964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: TIME 2741.97 LOAD: AVG 0.194239 MAX 0.215964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: ============== END OF LOAD BALANCING =============== 2741.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2741.98 PRESSURE: 844400 -86.486 -249.96 -149.149 -249.96 -183.414 -36.2383 -149.149 -36.2388 -560.111 GPRESSURE: 844400 -29.1821 -141.604 -194.926 -253.894 -229.218 -4.6449 -80.4906 -95.9405 -478.997 PRESSAVG: 844400 29.595 -18.0259 -43.5331 -18.0259 -12.8082 27.7153 -43.5332 27.7152 16.3107 GPRESSAVG: 844400 31.1138 -14.5654 -43.2455 -19.9479 -13.5732 27.677 -43.6033 28.9553 15.3612 TIMING: 844400 CPU: 2729.87, 0.00321978/step Wall: 2729.87, 0.00321978/step, 3.7167 hours remaining, 232.355469 MB of memory in use. ENERGY: 844400 4005.3447 20680.0683 14455.3041 260.9045 -203490.5266 2364.7614 0.0000 0.0000 51813.6158 -109910.5278 297.7736 -161724.1436 -109548.4497 299.2595 -276.6704 -245.7989 761324.4722 11.0325 10.9673 PRESSURE: 844600 202.525 -24.4361 9.95217 -24.4351 150.161 -30.1471 9.95191 -30.1469 69.4181 GPRESSURE: 844600 268.791 -126.355 93.2732 -1.18664 169.988 -50.6379 -69.6805 9.62144 66.2545 PRESSAVG: 844600 4.13202 -40.3348 -3.80397 -40.3349 -12.2345 -37.3237 -3.80389 -37.3237 21.0895 GPRESSAVG: 844600 2.99562 -44.3705 -2.11743 -39.3344 -12.5647 -37.9234 -6.55199 -36.3454 22.2068 TIMING: 844600 CPU: 2730.5, 0.0031555/step Wall: 2730.5, 0.0031555/step, 3.64233 hours remaining, 232.355469 MB of memory in use. ENERGY: 844600 4038.7794 20626.0084 14386.0564 252.6005 -203803.1955 2864.5049 0.0000 0.0000 51948.3352 -109686.9108 298.5478 -161635.2460 -109332.2749 298.9320 140.7015 168.3445 760401.1188 4.3290 4.2126 PRESSURE: 844800 -365.213 21.9769 97.1246 21.9771 -327.934 -120.303 97.1251 -120.302 -113.405 GPRESSURE: 844800 -330.646 17.0612 3.07168 18.782 -264.88 -141.114 148.876 -254.957 -106.763 PRESSAVG: 844800 2.36419 10.0942 -19.437 10.0941 10.5043 -24.9117 -19.437 -24.9117 1.25074 GPRESSAVG: 844800 2.30421 11.8976 -21.2283 9.97058 10.9174 -24.4141 -18.646 -26.5984 0.249532 TIMING: 844800 CPU: 2731.14, 0.00315311/step Wall: 2731.14, 0.00315311/step, 3.63938 hours remaining, 232.355469 MB of memory in use. ENERGY: 844800 4133.0208 20601.0496 14453.2414 242.6671 -203483.0937 2369.0041 0.0000 0.0000 52094.8006 -109589.3100 299.3895 -161684.1106 -109236.4588 299.7397 -268.8506 -234.0964 760829.8468 4.7064 4.4904 PRESSURE: 845000 -6.05967 -96.545 29.7341 -96.5453 -146.372 42.8006 29.734 42.8013 -117.005 GPRESSURE: 845000 -67.1765 -46.4632 58.5129 -14.7267 -134.848 -22.9666 -11.5504 147.596 -0.105287 PRESSAVG: 845000 30.2914 21.5385 -26.045 21.5385 15.0258 -5.57443 -26.045 -5.57449 7.33255 GPRESSAVG: 845000 30.0569 21.1265 -24.0332 21.1139 13.8926 -6.59479 -26.2238 -6.33799 8.74271 TIMING: 845000 CPU: 2731.76, 0.00314787/step Wall: 2731.76, 0.00314787/step, 3.63317 hours remaining, 232.355469 MB of memory in use. ENERGY: 845000 4081.9164 20715.3323 14408.6646 235.1996 -203429.8111 2300.5721 0.0000 0.0000 52127.8416 -109560.2845 299.5794 -161688.1261 -109200.8016 299.6855 -89.8123 -67.3766 759083.2688 17.5499 17.5640 PRESSURE: 845200 -109.442 -32.3245 316.791 -32.3246 59.2523 -68.0463 316.791 -68.0459 -91.2408 GPRESSURE: 845200 -4.50266 -14.792 253.016 -19.3864 -17.6039 -73.9238 368.648 -125.694 -47.9277 PRESSAVG: 845200 -28.3724 -39.8297 18.1148 -39.8297 1.58153 2.5653 18.1148 2.56522 18.5007 GPRESSAVG: 845200 -28.134 -38.2527 16.1575 -39.822 1.5843 2.13885 17.8469 2.73236 17.8082 TIMING: 845200 CPU: 2732.4, 0.00315589/step Wall: 2732.4, 0.00315588/step, 3.64224 hours remaining, 232.355469 MB of memory in use. ENERGY: 845200 3918.4386 20829.3138 14408.1194 276.7494 -203751.5469 2663.0636 0.0000 0.0000 52156.4893 -109499.3727 299.7441 -161655.8620 -109130.7704 299.6923 -47.1434 -23.3447 760532.1724 -2.7634 -2.9138 PRESSURE: 845400 122.149 149.114 -53.3897 149.115 -98.1883 14.8535 -53.3892 14.8525 -218.917 GPRESSURE: 845400 87.5168 60.8384 -46.515 10.3553 -16.4989 40.6904 3.92302 -70.4951 -178.117 PRESSAVG: 845400 -49.5122 -69.6604 78.5077 -69.6605 -2.44635 24.0158 78.5077 24.0158 -15.0263 GPRESSAVG: 845400 -49.776 -70.5185 79.6539 -69.506 -1.86098 24.0821 79.035 25.4976 -15.5669 TIMING: 845400 CPU: 2733.03, 0.00315962/step Wall: 2733.03, 0.00315962/step, 3.64638 hours remaining, 232.355469 MB of memory in use. ENERGY: 845400 3998.2596 20674.3456 14408.7853 247.9417 -203705.3263 2566.7108 0.0000 0.0000 51947.4138 -109861.8695 298.5425 -161809.2833 -109505.4236 299.4140 -64.9855 -35.6996 760866.2022 -22.3283 -22.4013 PRESSURE: 845600 183.769 -191.828 153.437 -191.828 -75.5752 109.619 153.437 109.619 -15.2227 GPRESSURE: 845600 173.582 -185.4 177.433 -161.916 29.0396 161.058 13.067 38.3855 -7.33009 PRESSAVG: 845600 -3.15631 -56.9979 -31.3332 -56.9979 -12.572 -24.1073 -31.3332 -24.1073 -10.9943 GPRESSAVG: 845600 -3.41901 -57.0802 -32.2333 -56.7474 -13.0515 -22.0493 -32.1246 -26.9824 -10.0036 TIMING: 845600 CPU: 2733.66, 0.00314499/step Wall: 2733.66, 0.00314499/step, 3.62931 hours remaining, 232.355469 MB of memory in use. ENERGY: 845600 3944.7670 20585.5623 14440.7994 249.3206 -203650.2081 2484.4409 0.0000 0.0000 51969.3284 -109975.9893 298.6684 -161945.3178 -109611.8493 298.2227 30.9903 65.0973 760642.7001 -8.9075 -8.8247 PRESSURE: 845800 -32.9009 -179.099 55.336 -179.099 25.0013 -49.7333 55.3354 -49.7325 97.6351 GPRESSURE: 845800 15.3599 -231.161 13.4332 -9.52403 38.1233 -4.27118 91.2689 -148.076 119.659 PRESSAVG: 845800 7.55902 -58.8764 5.15923 -58.8764 -9.82512 -13.106 5.15933 -13.1059 13.1105 GPRESSAVG: 845800 6.7362 -61.8935 4.73889 -56.6702 -9.15123 -14.7252 6.89141 -11.3582 12.7007 TIMING: 845800 CPU: 2734.29, 0.00315686/step Wall: 2734.29, 0.00315686/step, 3.64284 hours remaining, 232.355469 MB of memory in use. ENERGY: 845800 4020.0339 20658.9033 14470.9351 248.3116 -204042.3722 2684.2939 0.0000 0.0000 52189.7394 -109770.1550 299.9351 -161959.8944 -109405.8115 298.5746 29.9118 57.7141 759917.3792 3.6148 3.4285 PRESSURE: 846000 -556.267 -44.3267 -39.6067 -44.3267 88.5658 226.447 -39.6072 226.446 52.7149 GPRESSURE: 846000 -497.136 -34.2119 -102.568 -20.3635 34.8623 193.44 -61.1339 131.361 140.828 PRESSAVG: 846000 14.2383 -53.5626 18.8798 -53.5626 -4.35293 -33.9245 18.8798 -33.9245 -12.9972 GPRESSAVG: 846000 15.9938 -50.3403 19.4172 -56.3947 -5.09677 -34.2361 16.8144 -30.355 -13.2996 TIMING: 846000 CPU: 2734.93, 0.00319274/step Wall: 2734.93, 0.00319274/step, 3.68407 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 846000 4058.0236 20554.9774 14453.9583 224.3843 -203183.4153 2313.4010 0.0000 0.0000 51856.7197 -109721.9510 298.0213 -161578.6707 -109350.6447 298.9681 -138.3288 -107.1485 759730.9021 -1.0373 -0.8009 PRESSURE: 846200 -260.197 7.35847 2.3747 7.35764 -99.1254 -157.452 2.37468 -157.452 266.119 GPRESSURE: 846200 -220.989 -30.3519 -10.311 -71.8244 -44.9754 -130.604 143.778 -163.45 261.382 PRESSAVG: 846200 -18.0469 -42.1707 -0.777064 -42.1707 13.912 -6.18047 -0.777068 -6.18048 22.8279 GPRESSAVG: 846200 -18.0746 -44.7675 -1.24996 -41.5269 13.6014 -3.14214 0.120359 -11.254 23.0142 TIMING: 846200 CPU: 2735.56, 0.00317843/step Wall: 2735.56, 0.00317843/step, 3.66738 hours remaining, 232.355469 MB of memory in use. ENERGY: 846200 4061.5258 20796.0672 14396.3778 254.3973 -203465.7480 2542.0370 0.0000 0.0000 51844.5695 -109570.7734 297.9515 -161415.3428 -109217.0279 299.0893 -31.0677 -1.5273 760035.0378 6.2310 6.1803 PRESSURE: 846400 -53.7141 225.762 231.85 225.761 -8.44997 -45.8972 231.85 -45.8973 270.079 GPRESSURE: 846400 -7.62764 245.375 301.709 246.311 55.5833 -4.04071 135.995 -73.3619 250.449 PRESSAVG: 846400 15.4557 -42.8495 26.4005 -42.8495 -5.83276 -50.5537 26.4004 -50.5537 -11.5728 GPRESSAVG: 846400 15.0876 -40.9721 27.6718 -44.1589 -5.21891 -52.2439 27.1125 -47.1873 -12.1282 TIMING: 846400 CPU: 2736.2, 0.00318291/step Wall: 2736.2, 0.00318291/step, 3.67237 hours remaining, 232.355469 MB of memory in use. ENERGY: 846400 3945.6076 20695.7479 14457.6559 228.6590 -203299.9111 2355.4504 0.0000 0.0000 52162.3491 -109454.4412 299.7777 -161616.7903 -109100.1150 299.6971 69.3050 99.4682 759135.2951 -0.6499 -0.7532 PRESSURE: 846600 -205.817 -218.163 138.629 -218.163 -341.238 84.3651 138.628 84.3656 -7.72364 GPRESSURE: 846600 -111.298 -144.475 108.635 -179.383 -425.624 65.2 216.899 -7.22728 78.2157 PRESSAVG: 846600 6.99883 12.0602 67.9799 12.0601 -5.70995 -2.15012 67.9799 -2.15004 19.0942 GPRESSAVG: 846600 8.08993 11.1975 66.8716 16.0449 -6.18727 -3.11103 67.7885 -2.84862 18.1237 TIMING: 846600 CPU: 2736.84, 0.00318627/step Wall: 2736.84, 0.00318627/step, 3.67607 hours remaining, 232.355469 MB of memory in use. ENERGY: 846600 4013.4099 20674.8487 14498.9417 256.8464 -202755.8244 2029.1092 0.0000 0.0000 51766.1734 -109516.4951 297.5009 -161282.6686 -109159.6654 299.6538 -184.9261 -152.9022 759644.1975 6.7943 6.6755 PRESSURE: 846800 -79.1669 28.6138 27.5696 28.6142 -51.6586 109.23 27.5687 109.23 9.07384 GPRESSURE: 846800 -26.7826 -52.9905 -51.5762 88.1478 -14.2063 72.0404 -3.10449 128.199 7.61506 PRESSAVG: 846800 -42.5772 -22.3552 66.7813 -22.3552 33.3369 2.29671 66.7813 2.29668 -22.8022 GPRESSAVG: 846800 -44.4969 -21.2782 66.3762 -26.0677 33.069 3.89676 66.5684 0.960845 -21.2553 TIMING: 846800 CPU: 2737.47, 0.00317047/step Wall: 2737.47, 0.00317047/step, 3.65766 hours remaining, 232.355469 MB of memory in use. ENERGY: 846800 4021.6288 20443.3618 14452.1507 242.7152 -203719.7284 2661.3565 0.0000 0.0000 52318.3134 -109580.2020 300.6741 -161898.5155 -109227.0221 299.6478 -40.5839 -11.1246 760122.3543 -10.6808 -10.8944 PRESSURE: 847000 -113.666 -64.5922 -58.4875 -64.5918 -140.664 -256.712 -58.4871 -256.713 190.168 GPRESSURE: 847000 -174.19 4.84363 -15.085 -75.7491 43.033 -212.271 -100.121 -110.138 153.549 PRESSAVG: 847000 -19.1229 -11.6112 9.6059 -11.6111 38.3487 -4.97908 9.60592 -4.97909 31.5265 GPRESSAVG: 847000 -19.4263 -15.2403 9.86696 -8.5084 38.8141 -5.35539 7.9831 -2.95748 31.579 TIMING: 847000 CPU: 2738.1, 0.00315117/step Wall: 2738.1, 0.00315117/step, 3.63523 hours remaining, 232.355469 MB of memory in use. ENERGY: 847000 3898.0903 20401.7902 14456.1987 238.5451 -203133.1680 2233.0988 0.0000 0.0000 52193.6381 -109711.8068 299.9576 -161905.4449 -109338.8970 298.9175 -21.3873 7.4639 759890.4302 16.9175 16.9889 PRESSURE: 847200 -115.672 -82.6478 -292.468 -82.648 295.359 248.293 -292.468 248.292 -240.474 GPRESSURE: 847200 -16.4836 -32.4783 -194.865 11.1413 308.844 182.523 -238.642 154.562 -283.151 PRESSAVG: 847200 -66.153 -17.4927 -19.6058 -17.4927 75.096 -20.9581 -19.6058 -20.958 -33.0374 GPRESSAVG: 847200 -66.2699 -14.4648 -17.3869 -19.4171 75.3374 -22.4491 -19.714 -22.4516 -32.8105 TIMING: 847200 CPU: 2738.73, 0.00315471/step Wall: 2738.73, 0.00315471/step, 3.63914 hours remaining, 232.355469 MB of memory in use. ENERGY: 847200 3960.2946 20583.0077 14506.8019 247.5632 -203029.5636 2239.2314 0.0000 0.0000 51872.2068 -109620.4579 298.1103 -161492.6648 -109263.0499 299.5153 -20.2624 3.0700 760514.0972 -8.0314 -7.9143 PRESSURE: 847400 -126.665 -42.141 -14.2565 -42.1408 14.6845 74.0649 -14.2572 74.0651 254.272 GPRESSURE: 847400 -148.884 -106.897 15.8454 -37.4775 142.854 41.2417 36.6437 119.59 230.138 PRESSAVG: 847400 -68.7514 -50.0285 11.091 -50.0285 46.0545 19.7381 11.091 19.7382 21.0962 GPRESSAVG: 847400 -69.0326 -50.1452 8.99805 -48.2264 45.5669 21.3099 12.5173 19.8701 21.8967 TIMING: 847400 CPU: 2739.37, 0.00319032/step Wall: 2739.37, 0.00319032/step, 3.68003 hours remaining, 232.355469 MB of memory in use. ENERGY: 847400 3924.4451 20417.9177 14395.6656 271.9528 -203404.4415 2644.0167 0.0000 0.0000 52206.8087 -109543.6350 300.0332 -161750.4437 -109167.3323 299.2986 47.4305 74.7025 760645.9373 -0.5336 -0.5230 PRESSURE: 847600 -309.522 -69.4301 -106.731 -69.43 -111.682 112.77 -106.731 112.77 12.0359 GPRESSURE: 847600 -247.142 -79.6138 -87.6242 91.6589 -143.792 175.621 -65.136 42.5834 73.3191 PRESSAVG: 847600 27.3197 -53.4131 32.2725 -53.413 -8.73799 -11.7927 32.2724 -11.7928 11.7383 GPRESSAVG: 847600 28.7233 -54.603 32.6024 -54.4959 -10.1956 -12.1444 31.7934 -10.0363 12.2234 TIMING: 847600 CPU: 2740, 0.00316934/step Wall: 2740, 0.00316934/step, 3.65566 hours remaining, 232.355469 MB of memory in use. ENERGY: 847600 3999.5847 20466.3165 14457.9764 252.4653 -203450.3672 2503.1069 0.0000 0.0000 52195.8211 -109575.0963 299.9701 -161770.9174 -109206.8826 299.7550 -136.3892 -105.8717 759643.7644 10.1067 10.2504 PRESSURE: 847800 -64.2585 39.8284 252.45 39.8278 115.018 -144.02 252.451 -144.02 -301.612 GPRESSURE: 847800 -45.3753 125.774 272.368 31.4518 185.809 -102.531 272.924 -177.99 -308.605 PRESSAVG: 847800 0.14229 -25.2393 36.1778 -25.2393 3.11532 -20.4582 36.1779 -20.4581 3.37453 GPRESSAVG: 847800 0.250453 -23.0212 36.9709 -25.4938 3.43167 -19.3055 32.4318 -21.7788 2.70727 TIMING: 847800 CPU: 2740.63, 0.00315054/step Wall: 2740.63, 0.00315054/step, 3.63379 hours remaining, 232.355469 MB of memory in use. ENERGY: 847800 4026.0188 20370.6701 14355.9360 257.0879 -203310.6918 2328.4075 0.0000 0.0000 52143.0218 -109829.5497 299.6667 -161972.5715 -109452.3669 298.9842 -83.6174 -56.0572 759917.2405 2.2107 2.1298 PRESSURE: 848000 131.373 97.4337 72.6949 97.4338 134.733 198.55 72.694 198.551 92.7422 GPRESSURE: 848000 191.022 88.6948 75.4434 32.7231 124.641 143.575 72.7613 250.144 123.375 PRESSAVG: 848000 38.3763 -65.8675 85.2466 -65.8675 -8.63206 -50.2925 85.2466 -50.2925 -4.50861 GPRESSAVG: 848000 37.8236 -66.0757 85.2258 -67.2417 -8.39033 -51.4492 89.0185 -51.0042 -3.90939 TIMING: 848000 CPU: 2741.26, 0.00315507/step Wall: 2741.26, 0.00315507/step, 3.63885 hours remaining, 232.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 848000 3971.2833 20441.1006 14347.8759 228.9025 -203737.2697 2715.0782 0.0000 0.0000 52052.4066 -109980.6226 299.1459 -162033.0292 -109621.2957 298.5385 119.6163 146.3460 760086.1464 8.4119 8.5080 PRESSURE: 848200 258.662 -228.812 182.929 -228.812 -56.8748 10.3158 182.929 10.3159 -92.0892 GPRESSURE: 848200 289.111 -138.181 -3.42339 -231.713 7.5691 -20.5876 146.856 36.6904 -90.4389 PRESSAVG: 848200 -44.8499 -0.0394709 104.037 -0.0394673 -7.49751 -12.1663 104.037 -12.1662 1.88805 GPRESSAVG: 848200 -44.733 0.147426 103.759 -0.0622608 -5.87441 -12.6423 105.356 -10.6878 0.318329 TIMING: 848200 CPU: 2741.89, 0.00313503/step Wall: 2741.89, 0.00313504/step, 3.61557 hours remaining, 232.355469 MB of memory in use. ENERGY: 848200 3917.7474 20413.2372 14407.3587 236.5595 -203553.9030 2650.2998 0.0000 0.0000 52014.7457 -109913.9548 298.9295 -161928.7005 -109546.4362 298.6169 36.5659 68.7470 761556.7406 -16.8198 -16.7630 LDB: ============= START OF LOAD BALANCING ============== 2754.32 LDB: ============== END OF LOAD BALANCING =============== 2754.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2754.32 LDB: ============= START OF LOAD BALANCING ============== 2754.64 LDB: Largest compute 7075 load 0.035378 is 18.1% of average load 0.195226 LDB: Average compute 0.004405 is 2.3% of average load 0.195226 LDB: TIME 2754.64 LOAD: AVG 0.195226 MAX 0.220835 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.453 MB LDB: TIME 2754.64 LOAD: AVG 0.195226 MAX 0.220835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.453 MB LDB: TIME 2754.64 LOAD: AVG 0.195226 MAX 0.217391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.453 MB LDB: ============== END OF LOAD BALANCING =============== 2754.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2754.65 PRESSURE: 848400 -392.303 122.625 207.866 122.625 18.9325 -46.9498 207.866 -46.9488 585.993 GPRESSURE: 848400 -347.258 -69.3356 120.224 5.96593 114.342 -40.4282 159.781 -87.8251 512.068 PRESSAVG: 848400 -10.5232 0.39021 69.0186 0.390256 25.2627 -36.2418 69.0186 -36.2419 -17.8972 GPRESSAVG: 848400 -10.7007 -0.708678 69.1764 -1.19756 25.1412 -36.9252 67.1641 -35.8924 -17.4039 TIMING: 848400 CPU: 2742.54, 0.00324508/step Wall: 2742.54, 0.00324508/step, 3.7423 hours remaining, 231.125000 MB of memory in use. ENERGY: 848400 3964.0525 20469.3815 14339.3518 255.7598 -203296.0668 2417.9710 0.0000 0.0000 52099.6522 -109749.8980 299.4174 -161849.5502 -109385.1809 298.9079 70.8741 93.0507 760714.4012 -1.0525 -0.9878 PRESSURE: 848600 -42.1705 14.3419 -111.541 14.3419 -23.1061 0.056258 -111.54 0.0558041 245.28 GPRESSURE: 848600 -93.7538 15.0905 -127.881 -104.212 -16.8598 -26.8063 41.2945 82.9258 363.024 PRESSAVG: 848600 -12.1566 -5.19872 25.5178 -5.19864 -3.87222 -35.1267 25.5178 -35.1267 -5.67287 GPRESSAVG: 848600 -11.1072 -3.84506 24.7618 -5.16817 -5.72216 -36.174 26.1789 -34.2204 -5.30125 TIMING: 848600 CPU: 2743.18, 0.0031812/step Wall: 2743.18, 0.0031812/step, 3.66845 hours remaining, 231.585938 MB of memory in use. ENERGY: 848600 3902.2666 20549.0718 14439.7464 238.0462 -203286.3200 2461.6592 0.0000 0.0000 52145.7640 -109549.7659 299.6824 -161695.5299 -109189.3783 299.5476 60.0011 84.1368 759776.6096 -7.2339 -7.3769 PRESSURE: 848800 414.841 13.7957 -48.9588 13.7948 47.2068 -132.442 -48.9589 -132.443 -229.15 GPRESSURE: 848800 478.851 31.6091 -146.426 25.1454 71.6913 -93.2622 110.013 -232.993 -220.22 PRESSAVG: 848800 -9.49964 -23.5024 -2.77779 -23.5024 10.5943 -50.5754 -2.77777 -50.5755 3.52826 GPRESSAVG: 848800 -9.01036 -23.6257 -2.85449 -20.9194 10.9324 -47.0414 -1.45339 -54.4265 2.62878 TIMING: 848800 CPU: 2743.81, 0.00317168/step Wall: 2743.81, 0.00317168/step, 3.6573 hours remaining, 231.585938 MB of memory in use. ENERGY: 848800 4037.1493 20575.0896 14343.1143 232.8880 -203510.5808 2541.0022 0.0000 0.0000 52274.5091 -109506.8282 300.4223 -161781.3373 -109139.6998 299.8433 77.6327 110.1073 759122.6956 1.5410 1.5169 PRESSURE: 849000 -540.936 10.8406 76.9815 10.8397 120.411 -43.3049 76.9819 -43.3042 0.48773 GPRESSURE: 849000 -509.428 88.5789 60.1941 -63.0459 191.204 -0.28061 15.4355 56.6705 -21.1432 PRESSAVG: 849000 7.24837 -13.7194 10.5268 -13.7193 23.4724 -56.0577 10.5268 -56.0576 4.94399 GPRESSAVG: 849000 5.86852 -13.8955 10.4496 -14.6901 24.0022 -58.1139 9.33328 -54.0298 6.09904 TIMING: 849000 CPU: 2744.44, 0.00315496/step Wall: 2744.44, 0.00315496/step, 3.63784 hours remaining, 231.585938 MB of memory in use. ENERGY: 849000 4030.7419 20493.5164 14452.5561 260.0087 -203225.9269 2364.8723 0.0000 0.0000 52108.6919 -109515.5395 299.4694 -161624.2314 -109155.0147 299.9505 -140.0124 -113.1222 760396.1208 11.8882 11.9899 PRESSURE: 849200 50.6086 -77.3005 119.954 -77.2993 303.188 -53.6119 119.954 -53.6125 -236.675 GPRESSURE: 849200 248.086 -86.165 91.8611 6.95215 214.843 -69.0598 74.6075 22.8468 -246.49 PRESSAVG: 849200 -14.862 7.66783 24.8856 7.66782 30.8985 25.8359 24.8856 25.8359 15.2869 GPRESSAVG: 849200 -14.1233 8.59832 26.6239 7.61663 30.5837 26.7767 23.0967 24.5038 14.7658 TIMING: 849200 CPU: 2745.08, 0.00318333/step Wall: 2745.08, 0.00318333/step, 3.67038 hours remaining, 231.585938 MB of memory in use. ENERGY: 849200 3988.5599 20362.2410 14408.5452 248.2870 -203404.4147 2661.2787 0.0000 0.0000 52190.1782 -109545.3246 299.9377 -161735.5029 -109173.5023 299.8665 39.0403 72.1461 760270.4686 10.4411 10.4087 PRESSURE: 849400 -306.691 -40.7554 -79.0577 -40.7552 -286.616 -80.6276 -79.058 -80.628 -381.338 GPRESSURE: 849400 -328.236 -96.9437 -8.64349 -89.3581 -217.202 -117.354 -27.7093 -97.6353 -340.898 PRESSAVG: 849400 22.6071 3.57976 15.2092 3.57978 26.7709 -21.2816 15.2093 -21.2817 -4.84151 GPRESSAVG: 849400 22.881 1.79601 14.0819 5.96279 27.1711 -22.0424 16.4254 -20.9175 -5.50233 TIMING: 849400 CPU: 2745.71, 0.00315161/step Wall: 2745.71, 0.00315161/step, 3.63363 hours remaining, 231.656250 MB of memory in use. ENERGY: 849400 4007.5974 20505.4476 14415.9375 257.9707 -203381.5909 2550.1114 0.0000 0.0000 52197.2782 -109447.2482 299.9785 -161644.5264 -109081.1237 299.9894 -324.8816 -295.4453 759942.9627 14.8455 14.8499 PRESSURE: 849600 -189.929 -56.1826 120.549 -56.1829 -423.158 62.6754 120.549 62.6751 31.5095 GPRESSURE: 849600 -169.681 -73.5521 155.34 -157.752 -343.374 25.5995 19.8745 85.3187 26.3106 PRESSAVG: 849600 1.90794 -69.1404 39.3833 -69.1404 -20.8143 40.3137 39.3833 40.3137 6.94462 GPRESSAVG: 849600 1.38623 -68.835 40.3205 -68.7711 -20.5687 40.2449 41.1337 40.9128 7.56726 TIMING: 849600 CPU: 2746.34, 0.00314797/step Wall: 2746.34, 0.00314797/step, 3.62926 hours remaining, 231.656250 MB of memory in use. ENERGY: 849600 4002.6847 20624.6067 14452.3683 249.6485 -203158.2369 2200.9622 0.0000 0.0000 52277.3800 -109350.5865 300.4388 -161627.9665 -108994.8666 300.2802 -193.8594 -162.2480 760215.3991 -3.9873 -3.8717 PRESSURE: 849800 486.09 -227.97 188.122 -227.97 356.504 -119.792 188.122 -119.791 191.22 GPRESSURE: 849800 559.035 -230.144 136.505 -114.677 373.08 -118.291 150.927 -88.356 213.076 PRESSAVG: 849800 4.74279 -32.7831 38.2216 -32.783 9.26104 -9.66088 38.2215 -9.66079 -7.41988 GPRESSAVG: 849800 5.03452 -32.6456 38.8855 -36.796 9.64667 -9.29562 35.9027 -9.11562 -7.33304 TIMING: 849800 CPU: 2746.97, 0.00314496/step Wall: 2746.97, 0.00314496/step, 3.62562 hours remaining, 231.656250 MB of memory in use. ENERGY: 849800 3941.2827 20375.0257 14534.3024 272.8359 -203428.6597 2757.6308 0.0000 0.0000 52221.7211 -109325.8611 300.1189 -161547.5822 -108963.0600 300.0236 344.6043 381.7305 758852.0785 2.1946 2.4494 PRESSURE: 850000 -130.726 -9.55343 -190.643 -9.55354 310.679 41.1223 -190.643 41.1218 -99.2611 GPRESSURE: 850000 40.1197 117.412 -227.387 87.4207 269.656 31.0387 -66.5561 -83.5158 -145.432 PRESSAVG: 850000 4.51294 -62.3592 20.1006 -62.3593 59.8386 -0.531673 20.1005 -0.531676 12.1169 GPRESSAVG: 850000 5.15095 -61.5193 18.2479 -59.5042 60.0073 -2.46996 20.3428 -2.41876 11.4242 TIMING: 850000 CPU: 2747.6, 0.00318065/step Wall: 2747.6, 0.00318065/step, 3.66659 hours remaining, 231.656250 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: 850000 4007.7366 20406.8925 14459.0073 237.4236 -203142.2580 2479.2137 0.0000 0.0000 52308.5538 -109243.4306 300.6180 -161551.9844 -108875.3112 300.1901 26.8975 54.7810 759837.9077 25.4895 25.5275 PRESSURE: 850200 -71.452 -32.9145 21.7112 -32.9135 -39.036 -13.7433 21.7106 -13.7437 110.773 GPRESSURE: 850200 -10.9983 -10.3399 36.6436 -76.1652 15.1698 47.9037 -45.659 -123.282 74.4535 PRESSAVG: 850200 -0.374531 -60.0915 -30.1261 -60.0915 -3.1832 1.02156 -30.1262 1.02152 10.0959 GPRESSAVG: 850200 -0.36642 -61.5365 -30.2303 -60.2844 -3.4912 2.89185 -29.9092 3.19021 10.0331 TIMING: 850200 CPU: 2748.23, 0.00315392/step Wall: 2748.23, 0.00315392/step, 3.63559 hours remaining, 231.656250 MB of memory in use. ENERGY: 850200 3994.8143 20526.1715 14433.7187 231.6256 -203329.7882 2489.5760 0.0000 0.0000 52399.0362 -109254.8459 301.1380 -161653.8821 -108886.7973 300.0641 0.0951 26.2083 760823.4061 2.1794 2.0585 PRESSURE: 850400 3.85573 -115.711 -86.7581 -115.711 -98.7056 -312.686 -86.7569 -312.687 -410.168 GPRESSURE: 850400 -42.4814 -84.9038 -25.9045 -39.2104 -30.1518 -347.813 -128.201 -317.66 -336.934 PRESSAVG: 850400 -19.9575 -45.3538 -39.5452 -45.3538 54.6778 -45.9394 -39.5452 -45.9394 -5.33412 GPRESSAVG: 850400 -20.851 -46.261 -38.335 -47.5613 55.9202 -44.841 -39.5315 -47.4348 -5.09426 TIMING: 850400 CPU: 2748.86, 0.00314941/step Wall: 2748.86, 0.00314941/step, 3.63022 hours remaining, 231.656250 MB of memory in use. ENERGY: 850400 4023.2684 20566.0422 14477.9214 236.1928 -203073.0409 2306.5178 0.0000 0.0000 52304.3094 -109158.7889 300.5936 -161463.0983 -108803.1058 299.9904 -168.3391 -136.5223 762092.4331 9.7954 9.9916 PRESSURE: 850600 139.634 102.809 -119.522 102.809 -159.213 -111.655 -119.521 -111.655 78.6505 GPRESSURE: 850600 107.359 128.899 -156.625 70.3851 -37.3223 -54.6943 -24.5012 -29.9617 82.0551 PRESSAVG: 850600 22.4389 -12.1242 -66.7409 -12.1243 -17.2276 -37.5504 -66.7409 -37.5504 12.0687 GPRESSAVG: 850600 23.222 -9.95528 -66.7133 -11.4129 -19.1476 -38.1948 -66.2679 -35.1454 12.835 TIMING: 850600 CPU: 2749.49, 0.00313915/step Wall: 2749.49, 0.00313915/step, 3.61822 hours remaining, 231.656250 MB of memory in use. ENERGY: 850600 4080.9692 20598.2550 14395.0648 258.8911 -203087.2463 2225.9207 0.0000 0.0000 52490.0389 -109038.1066 301.6610 -161528.1455 -108664.2057 300.6255 19.6905 50.6973 761334.0882 5.7600 5.6365 PRESSURE: 850800 91.0367 -127.151 -226.819 -127.151 -275.549 178.687 -226.818 178.688 -88.2654 GPRESSURE: 850800 59.7817 -18.9617 -292.018 -179.369 -235.258 42.2 -79.6485 122.402 -25.173 PRESSAVG: 850800 7.50827 -64.577 -29.2946 -64.5771 -33.2759 39.6602 -29.2946 39.6602 24.3061 GPRESSAVG: 850800 7.61319 -65.0027 -28.9217 -63.9483 -34.0431 39.2309 -30.6935 36.6611 24.6121 TIMING: 850800 CPU: 2750.12, 0.00315096/step Wall: 2750.12, 0.00315096/step, 3.63165 hours remaining, 231.656250 MB of memory in use. ENERGY: 850800 3983.6680 20655.6775 14413.1744 263.0596 -202559.3608 2000.0382 0.0000 0.0000 52143.9168 -109099.8264 299.6718 -161243.7431 -108736.2588 300.8004 -90.9258 -66.8831 761191.8009 -0.4872 -0.6059 PRESSURE: 851000 -206.688 -302.58 -55.9303 -302.581 109.225 72.9212 -55.9305 72.9221 -230.926 GPRESSURE: 851000 -84.0495 -386.481 -39.7794 -168.109 112.737 183.364 -28.8941 23.3598 -278.784 PRESSAVG: 851000 14.9523 -26.2558 -10.4392 -26.2558 -12.0882 -22.0746 -10.4391 -22.0747 -8.30365 GPRESSAVG: 851000 14.1023 -26.9133 -10.4721 -25.307 -10.8366 -22.2527 -8.64067 -20.771 -8.57968 TIMING: 851000 CPU: 2750.75, 0.00315064/step Wall: 2750.75, 0.00315064/step, 3.63111 hours remaining, 231.656250 MB of memory in use. ENERGY: 851000 3985.5771 20509.4796 14596.8039 248.2525 -202652.7252 2008.1588 0.0000 0.0000 52259.0145 -109045.4389 300.3333 -161304.4534 -108674.4630 300.6843 -109.4629 -83.3654 761032.8410 -1.8132 -1.7713 PRESSURE: 851200 -48.3565 56.8781 -275.924 56.8782 -42.6628 -51.3028 -275.925 -51.3034 -102.57 GPRESSURE: 851200 -33.7905 -9.662 -338.305 32.2584 -33.0664 4.08382 -135.842 -71.9601 -46.6533 PRESSAVG: 851200 8.98979 -2.82715 -45.5912 -2.82713 18.2946 9.47506 -45.5912 9.47506 4.59765 GPRESSAVG: 851200 8.08337 -1.60265 -46.4139 -3.7529 19.2036 7.16825 -46.632 9.36245 4.44295 TIMING: 851200 CPU: 2751.38, 0.00314463/step Wall: 2751.38, 0.00314463/step, 3.62401 hours remaining, 231.656250 MB of memory in use. ENERGY: 851200 3951.4761 20447.7087 14427.2893 270.4300 -202470.9843 1835.4929 0.0000 0.0000 52433.1045 -109105.4828 301.3338 -161538.5873 -108744.1788 300.4270 -64.5297 -37.8367 761489.4642 10.6274 10.5766 PRESSURE: 851400 -17.6104 -224.665 87.2075 -224.666 -82.624 4.39343 87.2079 4.39351 -60.2446 GPRESSURE: 851400 26.243 -177.986 40.3711 -141.404 -94.4847 -62.1854 27.4498 61.3045 -7.1431 PRESSAVG: 851400 20.4619 -4.55593 2.35029 -4.55597 -17.2482 9.2707 2.35029 9.27072 -10.0875 GPRESSAVG: 851400 21.2114 -5.18092 1.95373 -3.16982 -17.1048 11.2495 3.83959 10.611 -10.3809 TIMING: 851400 CPU: 2752.01, 0.00315203/step Wall: 2752.01, 0.00315203/step, 3.63237 hours remaining, 231.656250 MB of memory in use. ENERGY: 851400 3912.6465 20276.6150 14476.3447 242.9536 -203163.8507 2582.8606 0.0000 0.0000 52344.5604 -109327.8699 300.8249 -161672.4303 -108951.8960 300.1383 -53.4930 -25.1283 761839.8216 -2.2913 -2.0914 PRESSURE: 851600 142.126 2.93209 235.235 2.93204 137.657 112.729 235.234 112.728 -185.837 GPRESSURE: 851600 121.19 28.3603 256.847 -24.2259 191.951 178.225 240.36 37.9183 -137.176 PRESSAVG: 851600 -2.63741 -16.5738 -9.11586 -16.5738 2.32859 -16.6742 -9.11586 -16.6742 18.8747 GPRESSAVG: 851600 -2.69372 -17.3086 -8.91151 -17.792 2.10249 -16.8215 -8.24591 -18.0327 19.5837 TIMING: 851600 CPU: 2752.65, 0.00316729/step Wall: 2752.65, 0.00316729/step, 3.64977 hours remaining, 231.656250 MB of memory in use. ENERGY: 851600 4006.6827 20474.8299 14422.1198 263.8138 -203257.8487 2386.6436 0.0000 0.0000 52197.5396 -109506.2192 299.9800 -161703.7589 -109145.4504 299.4110 31.3152 58.6549 759679.8853 6.1886 6.3308 PRESSURE: 851800 40.9191 -59.6927 54.8098 -59.6924 -118.341 -152.81 54.8095 -152.809 212.339 GPRESSURE: 851800 107.828 -131.35 127.163 -131.775 -136.961 -230.644 4.28918 -62.7479 242.489 PRESSAVG: 851800 -23.4341 -8.2225 10.0074 -8.22245 23.3409 0.202127 10.0074 0.202251 14.9972 GPRESSAVG: 851800 -23.2101 -8.06559 10.2455 -7.71658 23.1162 0.241254 10.4602 0.629681 15.4444 TIMING: 851800 CPU: 2753.28, 0.00316829/step Wall: 2753.28, 0.00316829/step, 3.65075 hours remaining, 231.656250 MB of memory in use. ENERGY: 851800 3891.1713 20401.3258 14385.4959 250.5926 -203097.7055 2468.8140 0.0000 0.0000 51996.5363 -109703.7696 298.8248 -161700.3059 -109341.7132 299.2547 44.9724 71.1186 761056.3859 4.9680 5.1168 PRESSURE: 852000 -34.6819 71.1218 -56.8545 71.1222 55.4166 32.7982 -56.8549 32.7986 -66.0907 GPRESSURE: 852000 8.98412 88.0836 10.1444 111.753 88.8597 -12.6695 -93.308 97.6235 -27.8701 PRESSAVG: 852000 23.6384 -3.90749 -25.2634 -3.90755 41.2205 9.6162 -25.2634 9.61623 3.98698 GPRESSAVG: 852000 24.6209 -4.87481 -24.8599 -4.57381 41.5015 9.14147 -27.1911 10.6516 3.15069 TIMING: 852000 CPU: 2753.91, 0.00315112/step Wall: 2753.91, 0.00315112/step, 3.63078 hours remaining, 231.656250 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: 852000 4005.9704 20298.5753 14396.7195 253.2857 -203107.2330 2583.4096 0.0000 0.0000 51970.8052 -109598.4673 298.6769 -161569.2725 -109237.5610 298.7167 -15.1186 23.3246 761455.4480 22.9486 23.0910 PRESSURE: 852200 -108.031 108.446 -2.87617 108.445 73.849 -92.5716 -2.8764 -92.5716 264.665 GPRESSURE: 852200 -130.274 39.378 -94.3198 66.3017 161.418 -151.146 14.1465 63.7179 296.783 PRESSAVG: 852200 -17.6438 -20.4741 -48.1703 -20.4741 23.2354 -35.6397 -48.1703 -35.6397 38.6435 GPRESSAVG: 852200 -17.5422 -19.6073 -49.0393 -20.3702 22.5633 -36.1136 -47.8032 -36.5013 39.3014 TIMING: 852200 CPU: 2754.54, 0.00317599/step Wall: 2754.54, 0.00317599/step, 3.65927 hours remaining, 231.656250 MB of memory in use. ENERGY: 852200 3877.5997 20403.3992 14464.1339 231.1553 -203479.4002 2713.4434 0.0000 0.0000 52223.6647 -109566.0040 300.1301 -161789.6687 -109194.3721 299.2254 76.8277 109.3087 761533.6360 14.7450 14.7741 LDB: ============= START OF LOAD BALANCING ============== 2766.97 LDB: ============== END OF LOAD BALANCING =============== 2766.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2766.97 LDB: ============= START OF LOAD BALANCING ============== 2767.29 LDB: Largest compute 7025 load 0.037727 is 19.3% of average load 0.195470 LDB: Average compute 0.004390 is 2.2% of average load 0.195470 LDB: TIME 2767.29 LOAD: AVG 0.19547 MAX 0.219825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.383 MB LDB: TIME 2767.29 LOAD: AVG 0.19547 MAX 0.219825 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.387 MB LDB: TIME 2767.29 LOAD: AVG 0.19547 MAX 0.216548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.387 MB LDB: ============== END OF LOAD BALANCING =============== 2767.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2767.3 PRESSURE: 852400 75.1915 -85.6648 -205.142 -85.6651 286.585 -70.6531 -205.143 -70.6529 40.2553 GPRESSURE: 852400 67.3808 -117.364 -181.217 57.3847 330.697 -31.625 -138.363 4.78664 99.9754 PRESSAVG: 852400 -43.801 -51.7858 5.44277 -51.7858 42.6247 15.9843 5.44281 15.9843 5.96295 GPRESSAVG: 852400 -45.0879 -50.5486 4.51137 -51.6627 43.798 16.763 5.17475 15.8877 5.70362 TIMING: 852400 CPU: 2755.19, 0.00324149/step Wall: 2755.19, 0.00324149/step, 3.73456 hours remaining, 231.898438 MB of memory in use. ENERGY: 852400 4014.3044 20417.6141 14418.8944 242.7865 -203347.1195 2559.6913 0.0000 0.0000 52067.2637 -109626.5650 299.2313 -161693.8288 -109257.5932 299.0590 134.0108 166.0176 760406.1436 1.5956 1.4712 PRESSURE: 852600 180.384 -56.6135 -93.4716 -56.6131 -107.977 43.2631 -93.4717 43.2641 61.1611 GPRESSURE: 852600 226.313 -90.2086 -122.95 -36.6065 -89.9432 96.5781 -56.0093 19.5005 81.7646 PRESSAVG: 852600 13.663 -13.6503 -36.6 -13.6502 23.2379 12.9166 -36.6 12.9166 8.76646 GPRESSAVG: 852600 14.1147 -13.9862 -32.4619 -12.8394 23.7354 13.3899 -36.3088 11.2478 7.3575 TIMING: 852600 CPU: 2755.83, 0.00318165/step Wall: 2755.83, 0.00318165/step, 3.66544 hours remaining, 231.968750 MB of memory in use. ENERGY: 852600 3990.9276 20437.6968 14477.3158 239.8758 -203763.1592 2837.8839 0.0000 0.0000 52073.7218 -109705.7377 299.2684 -161779.4594 -109343.5055 299.3228 44.5224 72.7114 760742.4428 15.2225 15.0692 PRESSURE: 852800 -424.771 123.939 93.4937 123.939 -180.246 121.327 93.4949 121.327 -202.374 GPRESSURE: 852800 -419.741 72.1854 52.775 72.6344 -237.14 164.918 120.464 95.4088 -71.1104 PRESSAVG: 852800 -67.9974 1.94701 -7.25477 1.94708 -4.10944 27.5609 -7.25475 27.561 0.212349 GPRESSAVG: 852800 -68.4677 1.16355 -9.52699 1.25537 -5.45598 27.8965 -8.71182 27.981 1.79761 TIMING: 852800 CPU: 2756.46, 0.00316664/step Wall: 2756.46, 0.00316664/step, 3.64796 hours remaining, 232.226562 MB of memory in use. ENERGY: 852800 3946.4912 20539.5352 14496.5261 244.5761 -203359.1978 2405.6515 0.0000 0.0000 52000.0270 -109726.3908 298.8449 -161726.4178 -109358.9319 299.2883 -269.1303 -242.6640 762052.7088 -23.9648 -24.0420 PRESSURE: 853000 227.042 -90.6739 138.391 -90.6741 139.893 54.0088 138.391 54.0095 -11.6533 GPRESSURE: 853000 237.875 -128.998 184.227 -43.9013 143.83 62.9053 214.022 181.049 60.0481 PRESSAVG: 853000 -24.3347 -47.2365 -56.3814 -47.2365 31.2299 -30.1576 -56.3815 -30.1576 5.33291 GPRESSAVG: 853000 -24.1401 -47.5122 -54.9913 -44.1935 30.8855 -30.5496 -55.5753 -27.0575 4.99842 TIMING: 853000 CPU: 2757.09, 0.00316015/step Wall: 2757.09, 0.00316015/step, 3.64032 hours remaining, 232.226562 MB of memory in use. ENERGY: 853000 3998.3955 20532.8932 14502.0611 239.5807 -203684.0745 2757.6587 0.0000 0.0000 52017.0871 -109636.3982 298.9429 -161653.4853 -109274.2902 299.3327 118.4271 147.2510 759733.6002 4.0760 3.9146 PRESSURE: 853200 -121.299 260.938 -104.72 260.938 -89.938 1.13612 -104.72 1.13553 -166.749 GPRESSURE: 853200 -12.207 200.501 -135.993 45.1435 -124.094 -80.7371 -100.56 80.8612 -162.407 PRESSAVG: 853200 -2.16247 -39.9777 -32.43 -39.9777 1.01672 -26.9386 -32.43 -26.9385 8.21033 GPRESSAVG: 853200 -2.00393 -39.821 -33.3783 -42.7141 1.15792 -28.5542 -33.4965 -27.5789 7.9368 TIMING: 853200 CPU: 2757.73, 0.00318317/step Wall: 2757.73, 0.00318317/step, 3.66666 hours remaining, 232.226562 MB of memory in use. ENERGY: 853200 3963.4001 20591.4069 14426.7087 257.7702 -203491.4303 2772.1191 0.0000 0.0000 51954.2333 -109525.7920 298.5817 -161480.0253 -109159.2168 299.6837 -125.9951 -99.5696 762348.9577 2.3549 2.3636 PRESSURE: 853400 -108.02 -57.5683 -49.6814 -57.5676 -128.449 -213.291 -49.6809 -213.291 -12.3367 GPRESSURE: 853400 -74.2322 -149.382 -21.4826 -5.94058 -9.94392 -216.03 -86.4636 -319.103 -64.1614 PRESSAVG: 853400 -38.0151 -50.0339 -45.8363 -50.0338 31.4738 -14.9195 -45.8363 -14.9196 9.16502 GPRESSAVG: 853400 -40.011 -50.1376 -45.0778 -49.6472 33.4084 -12.3865 -45.3967 -17.2052 9.55244 TIMING: 853400 CPU: 2758.36, 0.0031655/step Wall: 2758.36, 0.0031655/step, 3.64613 hours remaining, 232.460938 MB of memory in use. ENERGY: 853400 3941.8825 20483.4015 14464.2386 265.2540 -203145.7518 2385.5887 0.0000 0.0000 52163.7332 -109441.6533 299.7857 -161605.3866 -109079.2394 299.7914 -82.9354 -49.4458 762365.0020 0.8746 0.9833 PRESSURE: 853600 -146.574 -53.5978 38.3183 -53.5974 -0.868548 -344.08 38.3193 -344.08 -176.067 GPRESSURE: 853600 -123.07 11.4536 -0.204225 -27.2132 17.8323 -272.367 10.0619 -263.404 -142.492 PRESSAVG: 853600 -68.868 -12.8496 -14.6946 -12.8496 59.2745 -3.39733 -14.6945 -3.3973 -21.0251 GPRESSAVG: 853600 -68.7542 -13.9712 -16.3482 -11.8851 58.4743 -3.85429 -16.8262 -1.14112 -20.59 TIMING: 853600 CPU: 2758.99, 0.00313515/step Wall: 2758.99, 0.00313515/step, 3.611 hours remaining, 232.460938 MB of memory in use. ENERGY: 853600 3964.8725 20444.0655 14433.3382 251.9826 -203340.5173 2643.0884 0.0000 0.0000 52236.4535 -109366.7166 300.2036 -161603.1701 -109000.8104 299.8175 -107.8366 -82.5765 761830.3172 -10.2062 -10.2900 PRESSURE: 853800 251.961 15.0692 -6.79888 15.0692 -39.002 -36.3087 -6.7981 -36.3092 -161.531 GPRESSURE: 853800 212.488 -102.672 -54.3703 77.345 36.5208 -137.326 -81.115 -46.8417 -107.877 PRESSAVG: 853800 -45.2618 -9.89261 -2.67244 -9.89268 21.033 10.8741 -2.67246 10.8741 10.5536 GPRESSAVG: 853800 -44.609 -9.01902 -2.54332 -10.0069 21.2242 9.5358 -0.280275 9.95395 10.0768 TIMING: 853800 CPU: 2759.62, 0.00313718/step Wall: 2759.62, 0.00313718/step, 3.61316 hours remaining, 232.460938 MB of memory in use. ENERGY: 853800 3931.9483 20604.6595 14503.7203 255.8480 -203521.0771 2673.9856 0.0000 0.0000 52136.9497 -109413.9656 299.6318 -161550.9153 -109054.1945 299.9122 17.1424 47.0437 760565.6313 -4.5584 -4.4360 PRESSURE: 854000 -286.801 -69.0406 2.83766 -69.0406 146.707 -108.474 2.83747 -108.475 167.259 GPRESSURE: 854000 -139.515 -25.6851 -8.4299 -63.2287 -13.0421 -59.0368 -77.3418 -51.9911 248.266 PRESSAVG: 854000 -0.875149 -7.25827 6.17216 -7.25832 77.7745 -15.4333 6.17225 -15.4333 -0.857069 GPRESSAVG: 854000 -0.0371678 -8.33708 7.58449 -6.51864 76.5956 -12.9787 5.72641 -16.1933 -0.5029 TIMING: 854000 CPU: 2760.25, 0.00315627/step Wall: 2760.25, 0.00315627/step, 3.63497 hours remaining, 232.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 3960.4764 20537.3043 14475.6572 239.6063 -203220.0199 2592.0924 0.0000 0.0000 52026.0915 -109388.7919 298.9947 -161414.8833 -109024.3790 299.7038 9.0549 31.9031 761642.9487 25.3474 25.3518 PRESSURE: 854200 129.342 -4.77218 -5.78529 -4.77259 -29.3511 72.6503 -5.78478 72.6512 -58.9567 GPRESSURE: 854200 168.368 103.378 -122.399 -115.927 41.1108 16.0814 -1.92384 149.181 -83.7528 PRESSAVG: 854200 -12.2508 -35.91 10.8252 -35.91 49.4306 17.1741 10.8251 17.174 -9.57169 GPRESSAVG: 854200 -13.6648 -34.6131 8.94882 -36.2626 50.1917 16.1449 12.3004 18.6406 -9.05522 TIMING: 854200 CPU: 2760.88, 0.00317309/step Wall: 2760.88, 0.00317309/step, 3.65416 hours remaining, 232.460938 MB of memory in use. ENERGY: 854200 3922.3095 20552.1065 14529.3010 245.7571 -203215.2215 2487.9825 0.0000 0.0000 52064.7121 -109413.0526 299.2166 -161477.7647 -109047.3642 300.1180 13.6780 41.9087 760408.4125 9.2027 9.1572 PRESSURE: 854400 149.217 -18.3758 342.123 -18.3753 342.435 -112.801 342.123 -112.801 186.177 GPRESSURE: 854400 195.462 30.5571 299.648 46.9903 380.806 -138.705 158.804 -119.838 192.117 PRESSAVG: 854400 4.69237 -43.1909 -25.7083 -43.1909 12.8051 17.1851 -25.7083 17.1851 29.6218 GPRESSAVG: 854400 5.98794 -43.5704 -22.827 -43.6336 11.9667 17.2906 -26.787 16.2386 29.0368 TIMING: 854400 CPU: 2761.52, 0.0031633/step Wall: 2761.52, 0.0031633/step, 3.64272 hours remaining, 232.460938 MB of memory in use. ENERGY: 854400 3836.6757 20638.3014 14539.1628 227.0099 -203324.9384 2508.5492 0.0000 0.0000 52103.8552 -109471.3843 299.4416 -161575.2394 -109111.1602 299.6155 225.9432 256.1282 759359.4783 15.7064 15.6638 PRESSURE: 854600 173.786 -60.9935 -165.872 -60.9936 -9.49885 -25.9409 -165.873 -25.9414 -188.564 GPRESSURE: 854600 131.552 7.24857 -145.552 63.9672 64.898 49.0857 -37.9665 52.4721 -130.088 PRESSAVG: 854600 -22.3256 -10.4046 45.4928 -10.4047 30.8287 -4.609 45.4929 -4.60898 -1.82003 GPRESSAVG: 854600 -23.971 -11.2909 43.568 -11.1438 31.6369 -4.59111 45.6074 -4.79548 -1.28721 TIMING: 854600 CPU: 2762.15, 0.00316846/step Wall: 2762.15, 0.00316846/step, 3.64848 hours remaining, 232.660156 MB of memory in use. ENERGY: 854600 3944.1476 20456.4803 14447.2360 240.5811 -203525.2898 2631.6892 0.0000 0.0000 52095.6661 -109709.4896 299.3945 -161805.1557 -109343.8738 298.9872 -8.0922 22.1207 760231.6514 2.2277 2.1262 PRESSURE: 854800 68.263 46.4165 -66.8236 46.4166 -231.531 10.9795 -66.8243 10.9799 -186.135 GPRESSURE: 854800 94.7351 81.8854 -154.596 -78.0639 -181.872 -7.5856 15.691 -76.2217 -171.015 PRESSAVG: 854800 -38.9957 6.02809 -13.2667 6.02811 12.7865 17.9213 -13.2667 17.9212 -19.7398 GPRESSAVG: 854800 -38.4724 5.92432 -10.7217 6.65337 13.0517 18.9307 -15.1559 15.0889 -20.2434 TIMING: 854800 CPU: 2762.78, 0.00315375/step Wall: 2762.78, 0.00315375/step, 3.63136 hours remaining, 232.660156 MB of memory in use. ENERGY: 854800 3974.4044 20379.1217 14476.6136 246.3535 -203406.7210 2490.6933 0.0000 0.0000 52174.6260 -109664.9086 299.8483 -161839.5346 -109300.3753 299.2575 -116.4678 -86.0504 760634.2834 -15.3164 -15.2214 PRESSURE: 855000 141.745 -95.476 36.0703 -95.4763 41.4931 -25.3354 36.0701 -25.3368 160.342 GPRESSURE: 855000 190.076 -155.875 -75.198 -144.023 71.1822 -1.37536 145.691 -74.899 172.687 PRESSAVG: 855000 -15.3217 -65.1626 1.07879 -65.1625 -11.8869 -19.9718 1.07877 -19.9718 -9.73268 GPRESSAVG: 855000 -14.2775 -65.2699 -3.24712 -66.8183 -13.3251 -20.809 5.8953 -18.6688 -9.23403 TIMING: 855000 CPU: 2763.41, 0.00315398/step Wall: 2763.41, 0.00315398/step, 3.63146 hours remaining, 232.660156 MB of memory in use. ENERGY: 855000 3957.4877 20566.1999 14402.1603 261.4278 -203355.9606 2557.7128 0.0000 0.0000 51920.1635 -109690.8084 298.3859 -161610.9720 -109330.8052 299.2663 114.5266 144.6484 759819.0123 -12.3137 -12.2789 PRESSURE: 855200 113.205 -169.493 -108.052 -169.493 -15.0227 27.0975 -108.052 27.0966 171.909 GPRESSURE: 855200 164.037 -121.67 -48.1205 -201.436 3.40171 69.0675 -162.545 77.4587 168.007 PRESSAVG: 855200 -5.71433 -55.5743 -20.1595 -55.5742 32.5281 -12.307 -20.1594 -12.3069 12.4723 GPRESSAVG: 855200 -6.71232 -54.9681 -18.3853 -54.6491 33.0601 -11.435 -22.0333 -12.129 12.1409 TIMING: 855200 CPU: 2764.05, 0.0031787/step Wall: 2764.05, 0.0031787/step, 3.65974 hours remaining, 232.660156 MB of memory in use. ENERGY: 855200 3928.6437 20675.6793 14466.2532 257.5489 -203567.4683 2446.9668 0.0000 0.0000 52168.0388 -109624.3376 299.8104 -161792.3764 -109274.2606 299.5896 90.0305 111.8153 761094.4135 13.0953 12.8295 PRESSURE: 855400 -140.614 -162.043 216.764 -162.044 -197.134 62.2401 216.764 62.2396 86.8482 GPRESSURE: 855400 -77.3048 -162.724 169.461 -56.611 -46.7434 58.9166 241.801 -27.4839 -42.072 PRESSAVG: 855400 -68.5769 -51.2097 44.2006 -51.2097 40.0377 16.2441 44.2006 16.244 -17.4924 GPRESSAVG: 855400 -67.2416 -51.5031 43.9419 -51.252 40.1911 16.0637 43.566 16.5806 -18.8387 TIMING: 855400 CPU: 2764.68, 0.00317248/step Wall: 2764.68, 0.00317248/step, 3.65241 hours remaining, 232.660156 MB of memory in use. ENERGY: 855400 4049.0673 20469.9807 14495.8732 249.4042 -203650.7197 2338.6791 0.0000 0.0000 52200.7011 -109847.0141 299.9981 -162047.7151 -109482.3618 299.4745 -83.6331 -55.3734 760133.2671 -15.3439 -15.2964 PRESSURE: 855600 -70.6046 -154.016 -89.7127 -154.016 556.62 -34.2539 -89.7119 -34.2545 157.84 GPRESSURE: 855600 -59.5046 -209.137 1.47682 -172.15 628.879 -53.7825 -219.586 64.948 192.798 PRESSAVG: 855600 -29.8889 -40.269 39.2677 -40.2691 50.3362 -7.99498 39.2677 -7.9949 2.0034 GPRESSAVG: 855600 -30.6893 -41.4902 40.0333 -38.7911 50.5834 -9.06186 38.0265 -5.28369 2.7914 TIMING: 855600 CPU: 2765.32, 0.0031885/step Wall: 2765.32, 0.0031885/step, 3.67067 hours remaining, 232.660156 MB of memory in use. ENERGY: 855600 4007.8391 20414.0105 14416.0844 259.6281 -203551.0014 2565.6865 0.0000 0.0000 52043.7946 -109843.9582 299.0964 -161887.7528 -109473.1792 298.6763 214.6186 254.0574 759670.6374 7.4836 7.5619 PRESSURE: 855800 -473.339 -87.5005 45.4522 -87.5009 -13.0612 -19.0043 45.4528 -19.0037 -48.9001 GPRESSURE: 855800 -437.052 -48.7941 50.2741 -53.0211 8.28309 -128.085 -23.6678 64.2769 -28.5731 PRESSAVG: 855800 -83.9834 -45.2111 -9.3206 -45.2111 54.9957 -28.4911 -9.32058 -28.4912 14.2137 GPRESSAVG: 855800 -85.4607 -43.9814 -9.31462 -46.5329 57.1006 -25.8938 -7.88737 -28.8958 13.2751 TIMING: 855800 CPU: 2765.95, 0.0031666/step Wall: 2765.95, 0.0031666/step, 3.64528 hours remaining, 232.660156 MB of memory in use. ENERGY: 855800 3947.2268 20574.2842 14443.1595 273.2621 -203469.3305 2293.3135 0.0000 0.0000 51993.3416 -109944.7428 298.8064 -161938.0844 -109579.3436 298.7145 -178.4333 -152.4474 761450.5845 -4.9247 -5.0283 PRESSURE: 856000 70.9291 -37.3936 180.817 -37.3941 -138.229 -73.6586 180.818 -73.6587 311.83 GPRESSURE: 856000 123.072 -8.07124 188.83 -158.237 -175.856 -100.486 164.514 -206.198 366.373 PRESSAVG: 856000 -7.61772 -55.3091 49.8941 -55.3092 46.9981 -30.7596 49.8941 -30.7595 -4.94202 GPRESSAVG: 856000 -6.17641 -54.9848 48.6781 -56.4854 44.8152 -33.183 49.8348 -32.2934 -4.58226 TIMING: 856000 CPU: 2766.59, 0.003193/step Wall: 2766.59, 0.003193/step, 3.67549 hours remaining, 232.660156 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: 856000 4038.9551 20550.9191 14478.0661 252.3939 -203382.7804 1942.3442 0.0000 0.0000 51961.3565 -110158.7456 298.6226 -162120.1021 -109794.5725 298.9453 81.5102 104.5294 759672.0331 11.4795 11.3522 PRESSURE: 856200 -148.639 -54.2546 211.244 -54.2534 485.96 169.41 211.244 169.41 278.029 GPRESSURE: 856200 -84.6397 -52.3125 283.193 -82.478 522.864 197.61 102.667 6.49072 262.918 PRESSAVG: 856200 -36.8332 -58.0057 24.4711 -58.0056 81.4771 -9.97222 24.4711 -9.97218 27.933 GPRESSAVG: 856200 -37.1481 -56.5845 24.054 -57.507 83.0197 -9.44458 25.7836 -9.9852 26.811 TIMING: 856200 CPU: 2767.23, 0.00319266/step Wall: 2767.23, 0.00319266/step, 3.67493 hours remaining, 232.660156 MB of memory in use. ENERGY: 856200 4000.2344 20486.6114 14506.9448 254.2773 -203914.2300 2766.3570 0.0000 0.0000 51988.0840 -109911.7210 298.7762 -161899.8050 -109547.2390 298.9396 205.1164 233.7141 759586.5962 24.1923 24.2275 LDB: ============= START OF LOAD BALANCING ============== 2779.66 LDB: ============== END OF LOAD BALANCING =============== 2779.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2779.66 LDB: ============= START OF LOAD BALANCING ============== 2779.98 LDB: Largest compute 7075 load 0.035948 is 18.4% of average load 0.195556 LDB: Average compute 0.004389 is 2.2% of average load 0.195556 LDB: TIME 2779.99 LOAD: AVG 0.195556 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.352 MB LDB: TIME 2779.99 LOAD: AVG 0.195556 MAX 0.216838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: TIME 2779.99 LOAD: AVG 0.195556 MAX 0.216838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: ============== END OF LOAD BALANCING =============== 2779.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2779.99 PRESSURE: 856400 97.1402 135.342 -166.34 135.343 238.218 -137.092 -166.341 -137.09 298.418 GPRESSURE: 856400 131.693 73.0544 -156.814 304.115 240.379 -93.0339 -224.452 -133.297 339.145 PRESSAVG: 856400 8.18079 -91.1881 -15.5946 -91.1882 -29.7235 -6.41917 -15.5945 -6.41919 -7.34333 GPRESSAVG: 856400 6.87184 -91.3549 -14.2667 -91.3726 -29.7182 -5.57706 -16.2146 -6.29073 -6.60676 TIMING: 856400 CPU: 2767.89, 0.00327996/step Wall: 2767.89, 0.00327996/step, 3.77523 hours remaining, 230.332031 MB of memory in use. ENERGY: 856400 3914.2181 20383.7094 14407.0102 247.8332 -203439.4755 2444.3006 0.0000 0.0000 51981.2181 -110061.1859 298.7368 -162042.4039 -109698.0244 298.7794 211.2590 237.0724 759301.5086 -9.6287 -9.8177 PRESSURE: 856600 -58.4517 -215.653 55.9263 -215.652 69.2776 -51.2171 55.9257 -51.2176 85.0373 GPRESSURE: 856600 63.8771 -239.143 37.3884 -246.282 65.1816 4.45397 137.17 -93.6691 69.4432 PRESSAVG: 856600 -59.6157 -102.066 -17.2391 -102.066 61.6883 -10.415 -17.2391 -10.4149 1.44562 GPRESSAVG: 856600 -59.1876 -103.605 -17.7221 -100.789 61.4176 -11.3791 -16.3938 -9.30937 1.12878 TIMING: 856600 CPU: 2768.53, 0.00319573/step Wall: 2768.53, 0.00319573/step, 3.67811 hours remaining, 230.332031 MB of memory in use. ENERGY: 856600 3987.8146 20471.5705 14487.8268 249.5415 -203196.7320 2214.4630 0.0000 0.0000 51892.6507 -109892.8650 298.2278 -161785.5157 -109532.0587 298.6899 31.9544 66.1673 760072.1375 1.1727 1.1196 PRESSURE: 856800 -171.27 -197.186 -176.957 -197.185 -295.595 45.7728 -176.958 45.773 -425.638 GPRESSURE: 856800 -155.719 -164.693 -157.381 -228.22 -196.917 38.1694 -144.583 35.6667 -464.536 PRESSAVG: 856800 11.367 -75.3926 -11.0118 -75.3927 57.2426 -26.1095 -11.0118 -26.1095 -14.1601 GPRESSAVG: 856800 11.3534 -76.1086 -11.2484 -76.0289 56.739 -25.1288 -11.35 -26.2582 -13.7921 TIMING: 856800 CPU: 2769.17, 0.00320206/step Wall: 2769.17, 0.00320206/step, 3.68522 hours remaining, 230.332031 MB of memory in use. ENERGY: 856800 3995.1464 20380.5805 14452.3947 250.1781 -203316.6482 2355.0492 0.0000 0.0000 52107.1172 -109776.1822 299.4603 -161883.2993 -109413.0146 299.1262 -297.5011 -272.3909 761412.2891 18.1499 18.1001 PRESSURE: 857000 -32.6643 -99.6453 -227.169 -99.6452 0.0222818 -81.4546 -227.17 -81.4539 370.075 GPRESSURE: 857000 30.0584 -36.1207 -252.466 -207.133 -42.3502 28.0555 -194.4 -113.316 412.652 PRESSAVG: 857000 -32.5955 -113.054 -38.9357 -113.054 13.6271 -27.8956 -38.9358 -27.8956 -21.3327 GPRESSAVG: 857000 -32.6574 -111.524 -37.8127 -112.998 14.4223 -28.136 -39.9926 -26.2292 -22.0233 TIMING: 857000 CPU: 2769.8, 0.00318301/step Wall: 2769.8, 0.00318301/step, 3.66311 hours remaining, 230.332031 MB of memory in use. ENERGY: 857000 3973.5916 20569.7052 14431.3873 261.2216 -203560.6095 2392.4185 0.0000 0.0000 51962.8068 -109969.4786 298.6310 -161932.2854 -109599.9439 299.2642 112.4776 133.4534 760051.8753 -13.4337 -13.4195 PRESSURE: 857200 -199.549 105.289 35.7372 105.289 225.332 71.6238 35.7369 71.6235 387.633 GPRESSURE: 857200 -60.3418 113.426 39.306 95.2329 163.677 131.405 -24.7362 -100.059 393.369 PRESSAVG: 857200 46.9267 -72.0819 -58.1 -72.0819 -43.5312 28.9124 -58.1 28.9125 11.9233 GPRESSAVG: 857200 48.1749 -73.4175 -58.1764 -72.9894 -44.2376 27.2185 -56.4558 25.4108 12.4704 TIMING: 857200 CPU: 2770.44, 0.0031956/step Wall: 2770.44, 0.0031956/step, 3.67742 hours remaining, 230.332031 MB of memory in use. ENERGY: 857200 3965.8831 20254.8108 14431.0268 253.4288 -203239.7354 2351.2264 0.0000 0.0000 52002.7533 -109980.6062 298.8605 -161983.3595 -109618.0593 298.7204 137.8055 165.5679 759598.0531 5.1063 5.4692 PRESSURE: 857400 -93.2868 -61.722 -2.2645 -61.7218 -165.802 105.367 -2.26443 105.366 -440.035 GPRESSURE: 857400 -4.50752 77.8637 -23.1935 -70.8377 -135.402 84.7672 29.2004 57.9939 -467.744 PRESSAVG: 857400 -36.1062 -75.6918 -24.7746 -75.6918 26.3783 7.21616 -24.7746 7.21613 -14.0064 GPRESSAVG: 857400 -37.5517 -75.8167 -24.8156 -74.83 27.6474 8.33974 -25.5589 9.16595 -13.5895 TIMING: 857400 CPU: 2771.08, 0.00318133/step Wall: 2771.08, 0.00318133/step, 3.66083 hours remaining, 230.332031 MB of memory in use. ENERGY: 857400 4062.6043 20404.5758 14399.1380 252.7050 -203295.8285 2290.4899 0.0000 0.0000 51900.8516 -109985.4638 298.2749 -161886.3155 -109621.0758 297.9282 -233.0411 -202.5510 760639.2557 -7.9115 -7.8313 PRESSURE: 857600 -181.456 -42.0923 -93.3671 -42.0926 89.1447 5.13636 -93.3675 5.13673 -190.567 GPRESSURE: 857600 -146.529 44.6241 -16.234 -38.7069 160.554 3.8611 -146.814 -126.739 -209.408 PRESSAVG: 857600 -7.17131 -97.4816 -25.8102 -97.4817 53.2418 -23.8946 -25.8101 -23.8946 5.68285 GPRESSAVG: 857600 -6.12047 -96.4912 -25.2359 -98.8838 53.649 -23.4629 -25.9744 -24.1871 4.32055 TIMING: 857600 CPU: 2771.71, 0.00317815/step Wall: 2771.71, 0.00317815/step, 3.657 hours remaining, 230.332031 MB of memory in use. ENERGY: 857600 4010.7487 20499.3967 14437.5535 240.9137 -203564.6895 2544.6007 0.0000 0.0000 51772.3187 -110059.1576 297.5362 -161831.4762 -109697.6858 298.4866 -94.2930 -65.1275 759925.9994 17.2511 17.2830 PRESSURE: 857800 88.0743 -88.2601 -125.472 -88.2598 -89.5902 133.412 -125.471 133.412 146.725 GPRESSURE: 857800 86.0911 -115.306 -191.472 -21.9757 -52.273 133.872 -169.545 7.04185 189.993 PRESSAVG: 857800 -48.6624 -43.1382 -21.4533 -43.1382 40.9892 -71.7713 -21.4533 -71.7714 3.79763 GPRESSAVG: 857800 -49.5657 -43.9085 -22.2135 -41.4645 40.9508 -72.2014 -21.2264 -70.9339 4.94926 TIMING: 857800 CPU: 2772.35, 0.00318924/step Wall: 2772.35, 0.00318924/step, 3.66957 hours remaining, 230.332031 MB of memory in use. ENERGY: 857800 3930.5657 20506.8606 14416.9214 236.5384 -203458.3758 2342.1162 0.0000 0.0000 51687.7947 -110337.5788 297.0505 -162025.3735 -109974.6023 297.8754 48.4031 74.6037 758948.2666 -1.2918 -1.2219 PRESSURE: 858000 124.34 65.427 153.634 65.4269 0.59479 -67.3272 153.634 -67.3266 0.478886 GPRESSURE: 858000 71.7011 -9.75376 96.728 71.9113 122.001 -76.5743 332.124 -156.246 9.78399 PRESSAVG: 858000 13.226 -3.66082 -3.30376 -3.66079 25.3356 11.0229 -3.30378 11.0228 -4.16427 GPRESSAVG: 858000 13.8871 -5.17803 -2.61013 -3.84132 25.2908 11.6257 -1.83146 10.4733 -4.9452 TIMING: 858000 CPU: 2772.99, 0.00318122/step Wall: 2772.99, 0.00318122/step, 3.66018 hours remaining, 230.332031 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: 858000 3934.0614 20463.5296 14510.1894 240.8965 -203594.6447 2360.3631 0.0000 0.0000 51816.7905 -110268.8144 297.7918 -162085.6048 -109903.2335 297.2079 41.8044 67.8287 759377.8875 11.4658 11.4109 PRESSURE: 858200 -56.0554 -95.9933 0.615269 -95.9935 128.71 -65.0789 0.61528 -65.0793 417.816 GPRESSURE: 858200 -34.1035 -49.0019 -7.97973 -136.758 191.445 -176.511 -89.8294 57.4237 415.156 PRESSAVG: 858200 -27.6196 -38.4993 -25.0406 -38.4993 39.0151 -11.6477 -25.0407 -11.6477 -16.4266 GPRESSAVG: 858200 -28.767 -36.995 -25.571 -38.5214 38.9334 -12.1401 -26.6928 -12.385 -15.4261 TIMING: 858200 CPU: 2773.63, 0.00318807/step Wall: 2773.63, 0.00318807/step, 3.66788 hours remaining, 230.332031 MB of memory in use. ENERGY: 858200 3925.1746 20367.4443 14482.9489 256.5293 -203465.2374 2408.2782 0.0000 0.0000 51883.5653 -110141.2967 298.1756 -162024.8620 -109783.9814 297.8085 163.4901 190.8327 760358.3453 -1.6770 -1.7532 PRESSURE: 858400 -194.72 -47.1291 51.7108 -47.1289 -205.849 35.1815 51.71 35.1807 -215.973 GPRESSURE: 858400 -114.311 -106.079 126.703 49.6843 -173.325 76.9607 112.032 151.728 -244.681 PRESSAVG: 858400 -16.4503 -42.4641 1.23139 -42.464 34.4647 -14.1874 1.23137 -14.1874 -18.3425 GPRESSAVG: 858400 -15.242 -43.461 0.702288 -44.1898 33.9828 -14.5525 1.60258 -14.4489 -19.0364 TIMING: 858400 CPU: 2774.26, 0.00318611/step Wall: 2774.26, 0.00318611/step, 3.66545 hours remaining, 230.332031 MB of memory in use. ENERGY: 858400 4011.9348 20501.6910 14509.1657 256.9657 -203367.4269 2224.1520 0.0000 0.0000 51903.1871 -109960.3307 298.2883 -161863.5178 -109609.8308 298.0401 -205.5139 -177.4392 759813.5699 -0.1094 -0.0985 PRESSURE: 858600 -355.584 -74.2373 -45.3213 -74.2378 -350.684 98.7705 -45.3213 98.7704 65.2029 GPRESSURE: 858600 -376.331 -28.6405 -135.771 -140.518 -154.077 35.58 32.9652 278.961 -30.4552 PRESSAVG: 858600 -47.7666 -82.4155 -19.055 -82.4155 46.8113 33.9979 -19.055 33.9979 5.66373 GPRESSAVG: 858600 -48.5536 -81.127 -19.9151 -82.0481 47.0129 35.4754 -18.7581 34.7424 5.73602 TIMING: 858600 CPU: 2774.9, 0.00318138/step Wall: 2774.9, 0.00318138/step, 3.65983 hours remaining, 230.332031 MB of memory in use. ENERGY: 858600 3985.7556 20450.9876 14480.8576 263.1564 -203723.4501 2536.1125 0.0000 0.0000 51865.0344 -110141.5460 298.0691 -162006.5804 -109779.3498 298.2934 -213.6883 -186.9543 760392.9919 1.5695 1.3985 PRESSURE: 858800 -234.621 63.9559 81.6292 63.9555 -457.103 -113.69 81.6288 -113.691 -312.778 GPRESSURE: 858800 -235.825 137.227 143.69 -3.27052 -425.113 -123.377 81.9335 -180.997 -270.363 PRESSAVG: 858800 21.5007 -27.8428 -3.04122 -27.8427 8.89308 43.0777 -3.04117 43.0777 41.3822 GPRESSAVG: 858800 22.3938 -27.7137 -2.28674 -27.0981 8.49009 43.6834 -2.58812 41.2368 41.0166 TIMING: 858800 CPU: 2775.54, 0.00318308/step Wall: 2775.54, 0.00318308/step, 3.6616 hours remaining, 230.332031 MB of memory in use. ENERGY: 858800 3968.8183 20409.7153 14472.6666 255.1913 -203435.2680 2307.6554 0.0000 0.0000 51991.9807 -110029.2403 298.7986 -162021.2211 -109674.9162 298.6703 -334.8338 -310.4335 760980.9373 23.9253 23.9668 PRESSURE: 859000 -50.9001 -183.561 336.627 -183.561 6.71932 95.4027 336.627 95.4026 10.781 GPRESSURE: 859000 -20.4027 -252.876 271.301 -218.269 49.6877 171.632 202.351 124.145 37.1226 PRESSAVG: 859000 22.9918 -42.7541 22.2494 -42.7541 3.63845 41.4643 22.2495 41.4642 -0.355354 GPRESSAVG: 859000 22.9952 -45.253 22.4182 -40.7916 3.35674 41.4069 20.9475 41.6974 -0.197636 TIMING: 859000 CPU: 2776.17, 0.00314722/step Wall: 2776.17, 0.00314722/step, 3.62017 hours remaining, 230.332031 MB of memory in use. ENERGY: 859000 3924.3801 20360.8974 14392.1448 256.7344 -203803.2331 2695.9063 0.0000 0.0000 52050.0860 -110123.0842 299.1326 -162173.1702 -109761.9022 298.3679 -11.1333 22.1359 760340.3727 8.7583 8.7181 PRESSURE: 859200 -159.765 -88.2268 -186.01 -88.2272 -34.2273 -137.772 -186.009 -137.772 -247.02 GPRESSURE: 859200 -109.445 -107.827 -189.416 -151.7 -17.1369 -167.415 -157.731 -179.218 -230.034 PRESSAVG: 859200 2.00312 -22.1424 27.4693 -22.1424 48.5137 14.0786 27.4693 14.0786 -15.0946 GPRESSAVG: 859200 3.36259 -20.2143 29.096 -25.4681 47.9177 13.0048 28.1456 15.2746 -15.6687 TIMING: 859200 CPU: 2776.8, 0.00316322/step Wall: 2776.8, 0.00316322/step, 3.63841 hours remaining, 230.332031 MB of memory in use. ENERGY: 859200 4024.9223 20345.9441 14465.0462 252.9836 -203676.3715 2451.9536 0.0000 0.0000 51923.4426 -110212.0791 298.4047 -162135.5217 -109861.5046 298.1387 -147.0041 -118.8720 760221.2916 11.8074 11.8705 PRESSURE: 859400 60.338 -81.3554 -17.5488 -81.3548 -346.147 179.199 -17.5493 179.199 -8.0833 GPRESSURE: 859400 41.438 -158.491 -15.7001 -127.016 -291.735 220.748 -110.06 109.872 39.015 PRESSAVG: 859400 -51.748 -18.2195 -12.488 -18.2195 53.3588 18.3481 -12.488 18.3481 -5.56808 GPRESSAVG: 859400 -52.4672 -19.2227 -14.4036 -16.0531 54.0582 18.9585 -12.2028 15.7822 -5.18588 TIMING: 859400 CPU: 2777.43, 0.00314227/step Wall: 2777.43, 0.00314227/step, 3.61413 hours remaining, 230.332031 MB of memory in use. ENERGY: 859400 3947.3684 20401.2931 14464.4510 239.7510 -203748.0587 2673.8539 0.0000 0.0000 51699.1389 -110322.2024 297.1157 -162021.3413 -109962.6564 298.0658 -97.9641 -70.4273 761400.5706 -1.3191 -1.1983 PRESSURE: 859600 -147.332 -72.0827 52.7067 -72.0819 -135.57 100.379 52.7069 100.379 64.8199 GPRESSURE: 859600 -180.193 -160.601 131.105 -15.6608 -50.4604 61.3127 6.32039 -38.23 109.181 PRESSAVG: 859600 -19.1904 -50.0545 3.91652 -50.0545 7.10878 48.5399 3.91661 48.5399 -8.73598 GPRESSAVG: 859600 -20.3659 -49.6032 4.35693 -48.2629 8.95054 48.7407 3.43333 50.5539 -9.04266 TIMING: 859600 CPU: 2778.06, 0.00315088/step Wall: 2778.06, 0.00315088/step, 3.62386 hours remaining, 230.332031 MB of memory in use. ENERGY: 859600 3963.2624 20333.9118 14520.6783 248.5274 -203326.4810 2491.6491 0.0000 0.0000 51680.0017 -110088.4503 297.0057 -161768.4520 -109736.1746 297.7100 -72.6941 -40.4910 760543.5478 -6.9392 -6.8193 PRESSURE: 859800 10.0843 -95.0549 -23.5223 -95.0545 -332.855 138.366 -23.5229 138.365 -456.187 GPRESSURE: 859800 57.0916 -93.5445 -64.8817 -96.7123 -249.808 108.539 -89.1295 78.6945 -499.611 PRESSAVG: 859800 60.0397 17.7483 -22.4388 17.7483 -39.6707 23.7102 -22.4388 23.7102 -21.4379 GPRESSAVG: 859800 60.9074 18.3925 -23.3621 14.0803 -40.9641 21.7416 -21.7733 24.2857 -20.8473 TIMING: 859800 CPU: 2778.69, 0.00316178/step Wall: 2778.69, 0.00316178/step, 3.63623 hours remaining, 230.332031 MB of memory in use. ENERGY: 859800 3962.1393 20292.8307 14451.8814 264.1070 -203144.4999 2299.4992 0.0000 0.0000 51862.2289 -110011.8135 298.0529 -161874.0424 -109648.4288 298.1389 -259.6525 -230.7758 760893.6050 -0.3563 -0.3013 PRESSURE: 860000 -31.8845 -227.783 -154.518 -227.783 64.1135 -78.4878 -154.518 -78.4863 311.517 GPRESSURE: 860000 1.88807 -226.94 -124.148 -227.197 92.1983 -13.0226 -115.38 -20.6224 321.427 PRESSAVG: 860000 -14.8318 -71.1869 -15.0004 -71.187 47.0022 57.3787 -15.0004 57.3788 15.1807 GPRESSAVG: 860000 -13.5343 -72.8335 -11.1817 -70.1083 44.7588 61.382 -15.7351 54.9573 16.2952 TIMING: 860000 CPU: 2779.32, 0.00317926/step Wall: 2779.32, 0.00317926/step, 3.65615 hours remaining, 230.332031 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: 860000 3940.3344 20449.0586 14458.3820 255.4283 -203932.0194 2625.0735 0.0000 0.0000 51955.7439 -110247.9988 298.5904 -162203.7427 -109888.7245 298.5415 114.5818 138.5046 760664.2732 15.7837 15.8399 PRESSURE: 860200 204.371 -6.19108 166.435 -6.1909 316.023 -3.03491 166.435 -3.03382 144.063 GPRESSURE: 860200 171.338 217.275 137.598 15.77 384.834 14.9871 115.18 82.627 214.65 PRESSAVG: 860200 -64.1661 -60.1459 44.9261 -60.1459 29.8506 14.4548 44.9262 14.4548 1.93221 GPRESSAVG: 860200 -66.0435 -57.9171 42.4181 -60.448 32.2174 12.1806 46.9058 17.1699 1.32827 TIMING: 860200 CPU: 2779.96, 0.00315202/step Wall: 2779.96, 0.00315202/step, 3.62465 hours remaining, 230.332031 MB of memory in use. ENERGY: 860200 3986.6976 20391.3656 14414.8074 237.3912 -203979.8156 2693.3622 0.0000 0.0000 51984.2155 -110271.9762 298.7540 -162256.1917 -109907.6370 298.0708 221.4857 256.9404 757904.9448 -10.7944 -10.8326 LDB: ============= START OF LOAD BALANCING ============== 2792.38 LDB: ============== END OF LOAD BALANCING =============== 2792.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2792.38 LDB: ============= START OF LOAD BALANCING ============== 2792.7 LDB: Largest compute 7075 load 0.038268 is 19.6% of average load 0.195345 LDB: Average compute 0.004400 is 2.3% of average load 0.195345 LDB: TIME 2792.7 LOAD: AVG 0.195345 MAX 0.216475 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.898 MB LDB: TIME 2792.7 LOAD: AVG 0.195345 MAX 0.216475 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: TIME 2792.7 LOAD: AVG 0.195345 MAX 0.216475 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: ============== END OF LOAD BALANCING =============== 2792.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2792.71 Info: useSync: 0 useProxySync: 0 PRESSURE: 860400 80.1517 242.636 288.327 242.637 -169.724 101.877 288.328 101.877 -105.726 GPRESSURE: 860400 112.321 128.821 303.565 276.716 -83.8298 149.323 336.465 130.214 -156.495 PRESSAVG: 860400 6.54323 -40.6532 13.8089 -40.6532 31.4114 58.2059 13.8089 58.206 2.88975 GPRESSAVG: 860400 7.81269 -42.2445 13.7643 -40.4151 31.6684 58.2099 12.6801 57.5584 1.54631 TIMING: 860400 CPU: 2780.6, 0.00323598/step Wall: 2780.6, 0.00323598/step, 3.72102 hours remaining, 231.328125 MB of memory in use. ENERGY: 860400 3996.7966 20587.3116 14384.1911 248.2451 -203798.5175 2545.6560 0.0000 0.0000 51696.3993 -110339.9179 297.0999 -162036.3172 -109987.1111 297.7545 -65.0992 -42.6677 759800.0697 13.6148 13.6758 PRESSURE: 860600 -175.194 -106.456 -57.6895 -106.455 -71.3963 100.142 -57.6897 100.141 -242.199 GPRESSURE: 860600 -125.003 -39.8136 17.9111 -13.6596 -22.1739 87.9674 -152.984 -51.7522 -246.248 PRESSAVG: 860600 -25.6384 -49.6818 -9.19078 -49.6818 48.6437 -0.975009 -9.19083 -0.975024 -18.0837 GPRESSAVG: 860600 -24.8134 -49.2133 -7.49179 -48.176 47.6852 -1.84497 -11.0886 1.23696 -17.4861 TIMING: 860600 CPU: 2781.23, 0.00315/step Wall: 2781.23, 0.00315/step, 3.62197 hours remaining, 231.531250 MB of memory in use. ENERGY: 860600 3867.4909 20341.4321 14429.5114 245.1035 -203692.1228 2436.3146 0.0000 0.0000 52067.0795 -110305.1909 299.2302 -162372.2703 -109940.2901 297.6370 -162.9295 -131.1417 761070.0710 1.6405 1.7952 PRESSURE: 860800 -218.118 -78.9825 -278.475 -78.9837 30.3385 -90.7467 -278.475 -90.7462 228.755 GPRESSURE: 860800 -249.744 -38.6665 -175.274 -64.3184 133.651 -68.6332 -288.591 -98.3609 255.135 PRESSAVG: 860800 -82.6054 -41.3933 -35.7105 -41.3934 69.8996 15.2491 -35.7105 15.249 3.56426 GPRESSAVG: 860800 -83.0074 -41.6421 -36.9355 -43.3783 70.7655 17.1037 -36.2057 11.3579 3.16407 TIMING: 860800 CPU: 2781.86, 0.00316177/step Wall: 2781.86, 0.00316177/step, 3.63534 hours remaining, 231.531250 MB of memory in use. ENERGY: 860800 3895.7078 20288.9031 14366.5829 243.3585 -203128.4285 2288.8684 0.0000 0.0000 51904.3561 -110140.6517 298.2950 -162045.0078 -109771.1728 297.6704 13.6586 46.3475 761003.7128 -3.0472 -3.0260 PRESSURE: 861000 -78.4015 -103.281 -26.501 -103.281 -208.019 215.869 -26.4998 215.869 -12.4462 GPRESSURE: 861000 18.9986 38.0538 -23.2188 -205.3 -198.906 283 10.2842 223.25 -17.0645 PRESSAVG: 861000 -98.3397 -25.6405 1.51757 -25.6405 30.8635 4.5981 1.51764 4.59816 -17.0784 GPRESSAVG: 861000 -97.9941 -24.7746 0.549541 -24.9938 30.9651 3.41326 4.0548 7.31612 -18.1333 TIMING: 861000 CPU: 2782.5, 0.00315883/step Wall: 2782.5, 0.00315883/step, 3.63178 hours remaining, 231.531250 MB of memory in use. ENERGY: 861000 4089.5492 20394.8210 14478.9235 252.5446 -203411.5684 2471.4670 0.0000 0.0000 51777.4422 -109946.8209 297.5657 -161724.2631 -109596.2893 297.9316 -99.6223 -65.6572 759906.2083 -28.1849 -28.3874 PRESSURE: 861200 -148.817 150.021 -259.251 150.02 42.5508 -184.056 -259.251 -184.055 256.172 GPRESSURE: 861200 -108.351 76.317 -85.0104 207.685 125.554 -84.0576 -341.429 -239.1 211.93 PRESSAVG: 861200 16.0231 -63.7367 51.8192 -63.7366 19.1277 15.903 51.8193 15.903 9.44252 GPRESSAVG: 861200 15.5465 -64.5192 52.355 -65.4763 18.0141 16.7828 51.391 16.378 11.3399 TIMING: 861200 CPU: 2783.13, 0.00315705/step Wall: 2783.13, 0.00315705/step, 3.62955 hours remaining, 231.531250 MB of memory in use. ENERGY: 861200 4014.3805 20434.6800 14390.3982 246.0163 -202989.3070 2202.2573 0.0000 0.0000 52091.3627 -109610.2119 299.3698 -161701.5746 -109241.7786 298.6547 49.9687 76.3777 760818.2083 14.8644 14.9668 PRESSURE: 861400 -239.2 -89.5921 53.1734 -89.5921 -359.087 300.676 53.1738 300.676 203.103 GPRESSURE: 861400 -326.316 -67.401 38.2891 -139.77 -157.232 303.926 134.152 299.119 173.539 PRESSAVG: 861400 -71.186 -68.6071 11.1506 -68.6071 20.2201 -1.86518 11.1505 -1.86517 -0.685832 GPRESSAVG: 861400 -71.8199 -68.7268 10.919 -66.422 21.2384 -1.87975 11.3114 -2.39873 -0.909926 TIMING: 861400 CPU: 2783.76, 0.00318195/step Wall: 2783.76, 0.00318195/step, 3.658 hours remaining, 231.531250 MB of memory in use. ENERGY: 861400 4089.7566 20375.8342 14462.2634 237.0369 -203296.3386 2574.0914 0.0000 0.0000 51992.9551 -109564.4011 298.8042 -161557.3562 -109206.9627 299.5642 -131.7281 -103.3363 761164.9899 -17.2172 -17.1638 PRESSURE: 861600 157.214 -119.022 -62.8919 -119.021 127.517 -94.3574 -62.8927 -94.3575 -72.1279 GPRESSURE: 861600 224.122 -101.883 -89.0019 -0.880835 134.971 -51.8294 -54.3454 -181.159 -68.9381 PRESSAVG: 861600 11.6125 -12.303 3.08746 -12.303 11.6309 11.7016 3.08747 11.7016 6.22565 GPRESSAVG: 861600 12.5658 -11.3024 2.75725 -11.9678 11.6382 11.7901 2.10952 10.4609 5.33928 TIMING: 861600 CPU: 2784.4, 0.00317124/step Wall: 2784.4, 0.00317124/step, 3.64551 hours remaining, 231.531250 MB of memory in use. ENERGY: 861600 4001.6124 20375.5604 14487.6527 226.0656 -203368.8849 2501.7150 0.0000 0.0000 51993.7772 -109782.5014 298.8090 -161776.2786 -109430.2283 299.0814 70.8677 96.7182 758226.9462 9.8230 9.8478 PRESSURE: 861800 -25.1026 -203.38 -33.1778 -203.38 136.953 226.177 -33.1775 226.177 -202.326 GPRESSURE: 861800 92.9538 -317.556 -78.8853 -321.377 33.7699 236.731 -19.8063 235.521 -135.811 PRESSAVG: 861800 -9.20813 -86.483 -14.1979 -86.483 -4.22885 -0.902388 -14.1979 -0.902419 3.62218 GPRESSAVG: 861800 -8.25018 -88.5637 -14.4312 -88.6226 -6.11111 -3.65386 -14.7148 0.531905 4.54464 TIMING: 861800 CPU: 2785.03, 0.00315804/step Wall: 2785.03, 0.00315804/step, 3.63016 hours remaining, 231.531250 MB of memory in use. ENERGY: 861800 4060.0982 20508.1891 14391.1802 254.1537 -203684.5547 2677.3135 0.0000 0.0000 51916.9801 -109876.6400 298.3676 -161793.6201 -109512.2075 298.7051 -30.1584 -3.0290 760251.5132 -3.2716 -3.2722 PRESSURE: 862000 162.598 -134.091 -185.961 -134.091 51.8287 17.2891 -185.961 17.2879 194.693 GPRESSURE: 862000 166.186 -133.914 -165.466 -149.274 99.2905 68.5418 -57.1956 41.8669 241.559 PRESSAVG: 862000 -44.6563 -60.1369 5.08816 -60.1369 26.5462 29.7391 5.08816 29.739 8.33604 GPRESSAVG: 862000 -45.366 -56.6006 4.28392 -62.4781 27.7906 31.1148 6.71881 30.0121 7.99836 TIMING: 862000 CPU: 2785.66, 0.00314502/step Wall: 2785.66, 0.00314502/step, 3.61503 hours remaining, 231.531250 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: 862000 3887.0074 20272.7186 14434.8115 253.9410 -203138.7781 2446.8852 0.0000 0.0000 51982.6433 -109860.7709 298.7450 -161843.4143 -109490.2970 298.6309 136.3733 169.0117 762710.9014 -3.2580 -3.1924 PRESSURE: 862200 -91.4094 -29.3831 -266.752 -29.3835 -81.9848 -7.50125 -266.753 -7.50231 -194.118 GPRESSURE: 862200 -90.9857 -16.4766 -163.6 20.5844 -55.9103 -38.9094 -247.15 82.6396 -140.404 PRESSAVG: 862200 -6.3138 -22.732 13.3138 -22.732 -12.2103 16.1474 13.3139 16.1474 -0.0519555 GPRESSAVG: 862200 -5.33794 -24.6178 14.523 -19.5793 -12.8657 16.107 11.2833 17.6397 -0.0361368 TIMING: 862200 CPU: 2786.29, 0.00315689/step Wall: 2786.29, 0.00315689/step, 3.6285 hours remaining, 231.531250 MB of memory in use. ENERGY: 862200 3977.7238 20522.0979 14457.0973 239.5655 -203012.2765 2415.7191 0.0000 0.0000 51713.0295 -109687.0433 297.1955 -161400.0728 -109324.6010 298.4202 -122.5042 -95.7668 761941.0502 -6.1920 -6.0799 PRESSURE: 862400 -163.854 -121.984 -163.708 -121.986 -64.9127 -101.392 -163.708 -101.392 -245.276 GPRESSURE: 862400 -107.988 -63.1713 -80.4061 -159.652 -41.1421 -24.4883 -185.09 -84.3506 -230.82 PRESSAVG: 862400 -27.7181 -23.0869 -28.2286 -23.0869 -11.7942 -44.9821 -28.2285 -44.9821 14.2867 GPRESSAVG: 862400 -27.8148 -23.5318 -27.4675 -24.4622 -10.6699 -44.4322 -27.8458 -47.1381 13.7288 TIMING: 862400 CPU: 2786.92, 0.00316335/step Wall: 2786.92, 0.00316335/step, 3.63575 hours remaining, 231.531250 MB of memory in use. ENERGY: 862400 3949.4205 20386.1847 14417.3523 251.9123 -203147.9987 2307.9334 0.0000 0.0000 51930.8611 -109904.3344 298.4474 -161835.1955 -109533.9721 298.5754 -158.0143 -126.6502 761216.9177 -8.4085 -8.2520 PRESSURE: 862600 -297.818 148.839 -203.061 148.839 303.924 -61.6053 -203.061 -61.6054 101.901 GPRESSURE: 862600 -234.1 80.1474 -133.548 48.7996 295.672 29.5479 -38.6696 -110.546 119.039 PRESSAVG: 862600 -19.3655 -40.6706 -34.2979 -40.6706 -12.8392 -28.248 -34.2979 -28.2479 -6.15541 GPRESSAVG: 862600 -19.7204 -39.7379 -36.8139 -41.7091 -13.9195 -27.886 -32.7562 -30.7806 -4.74914 TIMING: 862600 CPU: 2787.56, 0.0031802/step Wall: 2787.56, 0.0031802/step, 3.65493 hours remaining, 231.531250 MB of memory in use. ENERGY: 862600 3903.2616 20447.7436 14482.5314 259.7002 -203403.8581 2362.0406 0.0000 0.0000 51791.4490 -110157.1318 297.6462 -161948.5808 -109802.9198 297.5054 36.0020 60.2037 760249.3447 -12.7867 -12.7963 PRESSURE: 862800 -78.9802 20.8627 -83.2195 20.8631 9.14844 58.05 -83.2182 58.0507 -73.495 GPRESSURE: 862800 5.32892 48.6144 -24.0533 0.279309 0.401184 83.3394 -132.351 51.3868 -58.271 PRESSAVG: 862800 -56.1469 -65.8892 -12.2993 -65.8892 55.1527 -33.9853 -12.2992 -33.9852 -16.0501 GPRESSAVG: 862800 -55.1123 -65.7992 -13.0228 -65.4279 55.2145 -35.624 -12.614 -32.7463 -16.9614 TIMING: 862800 CPU: 2788.19, 0.00317598/step Wall: 2788.19, 0.00317598/step, 3.64991 hours remaining, 231.531250 MB of memory in use. ENERGY: 862800 3856.8334 20476.9719 14428.5958 257.9665 -203639.6358 2583.4499 0.0000 0.0000 51753.6517 -110282.1666 297.4289 -162035.8184 -109918.1671 297.5633 -47.7756 -17.5136 762338.4609 -5.6814 -5.6197 PRESSURE: 863000 -333.797 125.956 228.836 125.955 12.9611 -98.1365 228.836 -98.1367 -400.345 GPRESSURE: 863000 -303.459 6.10006 137.943 75.129 97.1168 -108.48 303.659 -102.52 -434.68 PRESSAVG: 863000 -19.9397 -92.012 -41.975 -92.012 46.8243 47.0657 -41.975 47.0657 11.1776 GPRESSAVG: 863000 -20.9109 -94.3076 -41.2386 -90.6096 47.32 49.2003 -42.3571 48.1323 11.8236 TIMING: 863000 CPU: 2788.83, 0.00315948/step Wall: 2788.83, 0.00315948/step, 3.63077 hours remaining, 231.531250 MB of memory in use. ENERGY: 863000 3953.7571 20278.2004 14471.5115 265.5789 -203811.2150 2572.0712 0.0000 0.0000 51831.3265 -110438.7694 297.8753 -162270.0959 -110068.4735 297.4035 -240.3939 -213.6739 760947.1989 12.6874 12.7443 PRESSURE: 863200 -191.49 -103.431 -308.408 -103.431 -39.1903 -71.0299 -308.409 -71.0295 91.1489 GPRESSURE: 863200 -101.778 -145.282 -328.683 -26.9359 -34.4438 2.86806 -176.153 -214.822 61.64 PRESSAVG: 863200 26.0421 -74.0861 -9.92828 -74.0861 -16.8008 45.693 -9.92828 45.693 15.0978 GPRESSAVG: 863200 27.5303 -74.2222 -10.8217 -73.9391 -17.0515 44.9594 -9.59054 43.4552 13.465 TIMING: 863200 CPU: 2789.46, 0.00315801/step Wall: 2789.46, 0.00315801/step, 3.6289 hours remaining, 231.531250 MB of memory in use. ENERGY: 863200 3952.0211 20346.4468 14485.9988 249.4730 -203392.4126 2361.4951 0.0000 0.0000 51740.9322 -110256.0457 297.3558 -161996.9779 -109903.9486 297.0926 -46.5104 -24.8604 761653.0646 8.1130 7.9813 PRESSURE: 863400 17.7364 -123.994 -128.75 -123.994 70.1157 134.109 -128.75 134.107 121.512 GPRESSURE: 863400 74.447 -40.6919 -128.582 -83.1496 102.906 97.9657 14.0624 144.247 127.829 PRESSAVG: 863400 -28.2698 -69.0762 -1.6896 -69.0762 63.8804 -20.7712 -1.68957 -20.7712 -12.0518 GPRESSAVG: 863400 -30.002 -67.9384 -0.62923 -70.362 63.3212 -20.4738 -1.31506 -18.4196 -9.98551 TIMING: 863400 CPU: 2790.09, 0.00315803/step Wall: 2790.09, 0.00315803/step, 3.62875 hours remaining, 231.531250 MB of memory in use. ENERGY: 863400 3973.0755 20457.2335 14425.4981 257.1576 -203796.8199 2742.8881 0.0000 0.0000 51881.0668 -110059.9005 298.1612 -161940.9673 -109700.0054 297.3695 69.7880 101.7272 759921.5875 7.8529 7.7779 PRESSURE: 863600 56.6046 -78.7686 48.3945 -78.7683 -373.842 165.653 48.3953 165.654 -63.6559 GPRESSURE: 863600 60.8041 -5.51865 -32.5956 -193.999 -297.935 130.044 -44.6145 226.884 -43.6843 PRESSAVG: 863600 -39.5198 -14.5525 -8.74597 -14.5526 33.0428 18.0119 -8.74605 18.0119 23.0437 GPRESSAVG: 863600 -39.5817 -13.9224 -8.83769 -14.9858 33.8669 18.8434 -10.3142 18.349 22.1375 TIMING: 863600 CPU: 2790.72, 0.00317199/step Wall: 2790.72, 0.00317199/step, 3.64461 hours remaining, 231.531250 MB of memory in use. ENERGY: 863600 3979.9012 20423.0237 14466.1607 249.9725 -203669.5357 2644.1587 0.0000 0.0000 51745.7905 -110160.5286 297.3838 -161906.3191 -109784.5965 297.9177 -126.9643 -93.6050 762222.1477 5.5222 5.4742 PRESSURE: 863800 21.7555 230.551 -197.356 230.55 392.811 -135.822 -197.355 -135.822 66.5342 GPRESSURE: 863800 134.528 121.315 -79.6715 211.149 347.987 -129.063 17.5369 -130.93 77.4991 PRESSAVG: 863800 32.4948 -58.3842 22.2941 -58.3842 7.18382 76.2753 22.2941 76.2753 20.9404 GPRESSAVG: 863800 32.0921 -61.1183 22.4099 -56.9182 7.76947 75.0793 22.2005 75.5347 20.2178 TIMING: 863800 CPU: 2791.36, 0.00315771/step Wall: 2791.36, 0.00315771/step, 3.62804 hours remaining, 231.531250 MB of memory in use. ENERGY: 863800 3985.7884 20444.0516 14476.8648 250.8819 -203736.3475 2915.9077 0.0000 0.0000 51774.1433 -109888.7098 297.5467 -161662.8531 -109543.0356 298.3102 160.3668 186.6712 761526.6725 20.2064 20.0265 PRESSURE: 864000 212.106 -39.2303 37.8543 -39.2301 -57.1152 47.4591 37.8543 47.4582 354.032 GPRESSURE: 864000 91.3754 1.01374 162.853 106.695 68.2847 149.72 -17.0756 -14.5947 434.441 PRESSAVG: 864000 -49.4298 -10.3873 41.1555 -10.3873 -17.2505 4.94011 41.1556 4.94012 1.69923 GPRESSAVG: 864000 -49.2728 -8.72616 42.5184 -10.2276 -18.8742 5.97516 41.2523 5.33884 2.9358 TIMING: 864000 CPU: 2791.99, 0.00315811/step Wall: 2791.99, 0.00315811/step, 3.62832 hours remaining, 231.531250 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: 864000 3876.3388 20282.8784 14482.1591 228.8540 -203582.8876 2812.3515 0.0000 0.0000 51990.8569 -109909.4489 298.7922 -161900.3059 -109543.2810 298.7420 169.6742 198.0337 763691.7412 -21.6604 -21.7371 PRESSURE: 864200 32.9907 -14.4558 -68.9837 -14.4564 2.28847 34.6985 -68.9844 34.6994 118.05 GPRESSURE: 864200 187.117 30.7527 -48.1568 18.616 -54.8973 87.1741 -121.826 132.478 110.994 PRESSAVG: 864200 28.3423 -39.7175 -12.4435 -39.7175 -10.6153 -29.2951 -12.4435 -29.2951 4.87156 GPRESSAVG: 864200 28.2387 -38.5097 -13.3591 -40.9127 -9.91891 -27.3953 -10.6017 -31.468 4.42029 TIMING: 864200 CPU: 2792.62, 0.00315282/step Wall: 2792.62, 0.00315282/step, 3.62207 hours remaining, 231.531250 MB of memory in use. ENERGY: 864200 4017.9261 20363.2533 14376.2575 229.2959 -203454.3544 2574.3395 0.0000 0.0000 52012.1243 -109881.1578 298.9144 -161893.2821 -109520.6087 298.5498 51.1099 81.0710 760357.1381 7.5328 7.5800 LDB: ============= START OF LOAD BALANCING ============== 2805.04 LDB: ============== END OF LOAD BALANCING =============== 2805.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2805.04 LDB: ============= START OF LOAD BALANCING ============== 2805.36 LDB: Largest compute 7075 load 0.036219 is 18.5% of average load 0.195436 LDB: Average compute 0.004395 is 2.2% of average load 0.195436 LDB: TIME 2805.37 LOAD: AVG 0.195436 MAX 0.217028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 2805.37 LOAD: AVG 0.195436 MAX 0.217028 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.016 MB LDB: TIME 2805.37 LOAD: AVG 0.195436 MAX 0.217028 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.016 MB LDB: ============== END OF LOAD BALANCING =============== 2805.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2805.37 PRESSURE: 864400 -243.519 -116.845 -222.605 -116.845 -211.266 358.312 -222.604 358.314 91.4156 GPRESSURE: 864400 -85.0865 -91.6094 -294.02 -104.33 -207.327 290.729 -229.769 231.36 20.3253 PRESSAVG: 864400 -42.7512 -27.7422 4.30355 -27.7422 48.1014 20.5247 4.30354 20.5246 17.5312 GPRESSAVG: 864400 -41.0681 -26.7407 4.75197 -26.9778 47.3776 17.7134 4.23496 23.7396 17.0365 TIMING: 864400 CPU: 2793.27, 0.00325455/step Wall: 2793.27, 0.00325455/step, 3.73876 hours remaining, 230.816406 MB of memory in use. ENERGY: 864400 4040.1261 20480.6511 14421.1012 249.5912 -203347.8115 2459.4288 0.0000 0.0000 51817.8784 -109879.0347 297.7981 -161696.9131 -109507.6379 298.4347 -121.1232 -90.6961 760936.0329 7.6271 7.7820 PRESSURE: 864600 -207.026 -55.0691 6.25583 -55.069 -775.845 -121.056 6.25587 -121.057 -7.59307 GPRESSURE: 864600 -255.56 -7.64685 70.9214 23.3864 -682.503 -54.9926 -15.3903 -42.6037 35.1401 PRESSAVG: 864600 -34.7628 -19.2858 -33.8629 -19.2857 33.5304 -16.8644 -33.8629 -16.8643 -3.83195 GPRESSAVG: 864600 -36.249 -23.0793 -33.8582 -17.551 33.8805 -16.6299 -35.0218 -16.9693 -2.65466 TIMING: 864600 CPU: 2793.9, 0.00317493/step Wall: 2793.9, 0.00317493/step, 3.64711 hours remaining, 231.222656 MB of memory in use. ENERGY: 864600 3974.5545 20520.5055 14444.3696 271.8164 -203014.8430 2261.0013 0.0000 0.0000 51912.7694 -109629.8262 298.3434 -161542.5956 -109271.1048 298.4336 -330.1545 -300.9743 761622.3471 -1.6881 -1.6744 PRESSURE: 864800 420.96 -51.4959 -2.0855 -51.4959 311.281 -139.67 -2.08559 -139.67 397.577 GPRESSURE: 864800 451.193 -67.3549 -18.9182 -106.62 360.013 -41.673 6.71401 -193.936 419.83 PRESSAVG: 864800 13.3432 -58.9946 19.8288 -58.9946 1.8409 -26.3857 19.8287 -26.3858 3.15453 GPRESSAVG: 864800 13.5694 -57.3745 19.6575 -60.3189 2.97354 -25.1574 20.1756 -27.5753 1.93023 TIMING: 864800 CPU: 2794.54, 0.00316324/step Wall: 2794.54, 0.00316324/step, 3.63351 hours remaining, 231.222656 MB of memory in use. ENERGY: 864800 3934.6969 20375.2214 14527.7525 241.6066 -203232.2874 2403.1380 0.0000 0.0000 52204.7127 -109545.1595 300.0212 -161749.8721 -109182.2576 299.3953 376.6060 410.3452 759378.3513 6.1129 6.1577 PRESSURE: 865000 82.3709 -16.6346 -125.759 -16.6341 -81.4483 126.472 -125.76 126.472 -198.477 GPRESSURE: 865000 118.32 -1.74364 -203.743 -105.255 -47.2934 56.4827 -170.172 83.1836 -173.113 PRESSAVG: 865000 -31.461 -60.5997 10.2828 -60.5996 60.3661 -0.0482128 10.2828 -0.0482143 3.18357 GPRESSAVG: 865000 -31.558 -59.3005 9.63983 -60.1533 60.4333 -0.173628 11.273 -0.486929 3.53592 TIMING: 865000 CPU: 2795.17, 0.00317803/step Wall: 2795.17, 0.00317803/step, 3.65032 hours remaining, 231.222656 MB of memory in use. ENERGY: 865000 3974.1796 20579.9471 14523.3847 244.4483 -203772.8080 2804.2677 0.0000 0.0000 51989.7320 -109656.8486 298.7857 -161646.5806 -109292.2736 299.5228 -65.8514 -34.0287 760175.6905 10.6962 10.8038 PRESSURE: 865200 -37.9035 -22.9398 170.24 -22.9403 -34.3165 -189.095 170.239 -189.095 -47.6817 GPRESSURE: 865200 -28.888 122.389 172.774 2.39179 3.31699 -121.096 234.378 -314.493 -21.6037 PRESSAVG: 865200 18.1224 -38.1491 21.9455 -38.1491 -6.45085 -15.7228 21.9455 -15.7227 14.994 GPRESSAVG: 865200 18.4116 -39.0029 22.0936 -40.7101 -7.98829 -15.9027 19.4224 -14.3191 15.9593 TIMING: 865200 CPU: 2795.81, 0.00317128/step Wall: 2795.81, 0.00317128/step, 3.64239 hours remaining, 231.292969 MB of memory in use. ENERGY: 865200 3966.1901 20547.3262 14449.5511 257.5461 -203577.8843 2479.2249 0.0000 0.0000 52121.4843 -109756.5616 299.5429 -161878.0459 -109397.4750 299.1241 -39.9672 -15.7249 760385.8989 8.8885 8.7942 PRESSURE: 865400 -337.038 -341.81 -87.0233 -341.81 -298.32 -5.25842 -87.0233 -5.25784 -74.5373 GPRESSURE: 865400 -297.574 -188.374 -60.9011 -308.779 -232.719 -14.1602 -71.947 47.6983 -96.1993 PRESSAVG: 865400 -31.9909 -62.9507 -17.3018 -62.9506 19.9785 -12.3641 -17.3018 -12.3642 -4.17203 GPRESSAVG: 865400 -32.2051 -61.2254 -16.5595 -60.9752 20.7471 -13.8924 -17.5249 -12.493 -4.44441 TIMING: 865400 CPU: 2796.44, 0.00316873/step Wall: 2796.44, 0.00316873/step, 3.63929 hours remaining, 231.292969 MB of memory in use. ENERGY: 865400 3999.4592 20473.5297 14395.1233 243.6346 -203145.7725 2292.3752 0.0000 0.0000 51990.3605 -109751.2902 298.7893 -161741.6506 -109390.7573 298.7802 -236.6320 -208.8309 762168.6234 -5.3948 -5.3008 PRESSURE: 865600 -110.917 -141.715 -188.244 -141.715 -149.668 39.6814 -188.244 39.6813 -36.6919 GPRESSURE: 865600 -59.7231 -101.066 -225.31 -155.305 -111.027 90.9258 -123.37 -131.803 -22.4661 PRESSAVG: 865600 3.16959 -76.0454 38.4067 -76.0455 -21.3423 10.5088 38.4067 10.5088 -11.1353 GPRESSAVG: 865600 3.51392 -76.6428 37.3729 -75.0384 -21.1063 13.4493 41.4935 9.74077 -11.3218 TIMING: 865600 CPU: 2797.07, 0.00314816/step Wall: 2797.07, 0.00314816/step, 3.61549 hours remaining, 231.292969 MB of memory in use. ENERGY: 865600 4077.6581 20511.5274 14471.2391 228.8475 -203569.6160 2640.3847 0.0000 0.0000 51978.2011 -109661.7580 298.7194 -161639.9591 -109306.5605 298.9582 -99.0924 -64.4055 762454.6410 -9.7693 -9.6381 PRESSURE: 865800 -23.8115 188.473 -11.234 188.473 206.545 77.3139 -11.2338 77.3135 -106.569 GPRESSURE: 865800 89.3075 87.3351 -84.9111 134.963 264.945 69.2849 -77.1346 14.183 -175.914 PRESSAVG: 865800 -25.467 -63.0904 29.8165 -63.0904 62.7836 15.0073 29.8165 15.0073 17.5432 GPRESSAVG: 865800 -25.5875 -63.8837 30.1356 -63.898 62.7574 13.4061 26.7563 15.078 17.6425 TIMING: 865800 CPU: 2797.7, 0.00314356/step Wall: 2797.7, 0.00314356/step, 3.61003 hours remaining, 231.292969 MB of memory in use. ENERGY: 865800 3920.2711 20441.9720 14412.8417 252.3393 -203470.2137 2600.7006 0.0000 0.0000 52109.6948 -109732.3941 299.4751 -161842.0889 -109370.0655 299.1254 25.3884 59.4462 759868.7093 18.2866 18.2708 PRESSURE: 866000 -423.701 119.457 72.8224 119.458 -303.608 2.15613 72.8226 2.1555 -230.368 GPRESSURE: 866000 -368.392 17.6828 105.145 81.5503 -286.533 61.4851 55.3191 56.6382 -210.794 PRESSAVG: 866000 7.34192 -15.1625 34.2284 -15.1625 40.1442 -5.48292 34.2283 -5.48291 9.90282 GPRESSAVG: 866000 7.80029 -16.085 33.345 -11.8235 39.4798 -3.75549 34.9402 -4.85163 9.82239 TIMING: 866000 CPU: 2798.33, 0.00316206/step Wall: 2798.33, 0.00316206/step, 3.63109 hours remaining, 231.292969 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: 866000 4012.8959 20404.2945 14498.7409 252.7937 -203120.2590 2298.3713 0.0000 0.0000 52045.5496 -109607.6132 299.1065 -161653.1627 -109234.7322 299.2189 -319.2259 -288.5729 761416.8184 19.1297 19.0342 PRESSURE: 866200 -380.095 -125.823 101.565 -125.823 201.526 134.055 101.565 134.053 239.478 GPRESSURE: 866200 -371.568 -267.817 111.061 -194.789 255.025 34.312 139.041 115.078 273.012 PRESSAVG: 866200 -101.218 -40.6438 69.7082 -40.6438 54.8654 -20.7521 69.7082 -20.7521 -5.02337 GPRESSAVG: 866200 -101.198 -41.3574 71.3136 -42.4659 54.4499 -22.8823 69.0638 -20.1615 -4.39188 TIMING: 866200 CPU: 2798.97, 0.00318654/step Wall: 2798.97, 0.00318654/step, 3.65904 hours remaining, 231.292969 MB of memory in use. ENERGY: 866200 3943.4629 20610.4459 14437.2907 242.2940 -203316.4690 2593.9494 0.0000 0.0000 51866.2117 -109622.8143 298.0758 -161489.0260 -109260.6659 298.9155 20.3030 52.1566 761339.8361 -17.1254 -17.0465 PRESSURE: 866400 -94.3937 76.1608 2.81769 76.1609 194.084 273.63 2.81776 273.63 62.9666 GPRESSURE: 866400 3.39088 4.43131 40.9658 75.5006 166.393 302.859 31.3586 345.88 81.6657 PRESSAVG: 866400 -26.1254 -52.4304 32.1628 -52.4304 57.974 81.3434 32.1629 81.3434 17.1665 GPRESSAVG: 866400 -27.7784 -48.504 31.6563 -53.3812 58.9565 81.2405 32.9162 82.3341 17.8054 TIMING: 866400 CPU: 2799.6, 0.00316576/step Wall: 2799.6, 0.00316576/step, 3.63499 hours remaining, 231.292969 MB of memory in use. ENERGY: 866400 3972.2419 20495.5502 14516.6919 245.2412 -203337.2981 2736.1854 0.0000 0.0000 51982.4757 -109388.9119 298.7440 -161371.3876 -109029.7235 298.8900 54.2191 83.8164 759898.9426 16.3384 16.3278 PRESSURE: 866600 -58.9611 -191.08 115.044 -191.08 90.2895 -51.981 115.044 -51.9807 31.0634 GPRESSURE: 866600 -64.6285 -243.286 140.928 -166.797 124.576 -120.033 222.745 -27.4537 89.9503 PRESSAVG: 866600 -55.899 -51.104 29.4438 -51.104 66.6927 50.9428 29.4438 50.9427 -15.5586 GPRESSAVG: 866600 -55.3371 -55.4023 30.8546 -51.6364 67.1963 52.0776 30.1434 48.9362 -16.0848 TIMING: 866600 CPU: 2800.23, 0.00316173/step Wall: 2800.23, 0.00316173/step, 3.63019 hours remaining, 231.292969 MB of memory in use. ENERGY: 866600 4001.0888 20442.8601 14469.9869 247.8768 -203593.5574 2827.4438 0.0000 0.0000 52280.6052 -109323.6957 300.4574 -161604.3009 -108966.8019 299.5395 20.7973 49.9659 761192.0150 -1.5883 -1.4085 PRESSURE: 866800 68.5998 -44.6392 95.4906 -44.6388 232.394 -48.6453 95.4901 -48.6447 -24.6783 GPRESSURE: 866800 94.7604 28.795 99.7599 -145.001 281.323 -89.6528 88.9636 18.3356 -2.89053 PRESSAVG: 866800 -34.1386 -55.479 1.44566 -55.479 -10.1495 28.7394 1.44566 28.7394 27.9354 GPRESSAVG: 866800 -33.7895 -55.4686 1.11206 -53.4828 -10.1515 29.3497 2.5963 27.933 27.2138 TIMING: 866800 CPU: 2800.87, 0.00316298/step Wall: 2800.87, 0.00316298/step, 3.63145 hours remaining, 231.292969 MB of memory in use. ENERGY: 866800 3927.9230 20547.6313 14451.2823 230.6853 -203255.7788 2516.9961 0.0000 0.0000 52190.6759 -109390.5849 299.9405 -161581.2608 -109027.1776 299.4858 92.1052 124.3977 760172.3974 -5.4509 -5.5757 PRESSURE: 867000 -311.534 -139.813 -19.3733 -139.814 254.758 -79.3837 -19.3732 -79.3819 78.2564 GPRESSURE: 867000 -268.261 -60.4465 -66.1482 -79.1579 314.465 -50.4009 -53.9116 105.41 60.2699 PRESSAVG: 867000 0.648849 9.93174 53.4125 9.93172 -2.52524 2.55453 53.4125 2.55449 -16.0508 GPRESSAVG: 867000 0.518184 10.9637 52.4273 10.8305 -3.0849 2.70161 53.2946 4.70079 -15.1624 TIMING: 867000 CPU: 2801.5, 0.00318209/step Wall: 2801.5, 0.00318209/step, 3.65322 hours remaining, 231.292969 MB of memory in use. ENERGY: 867000 3962.1813 20541.5986 14507.0383 243.6300 -203291.2732 2408.6085 0.0000 0.0000 52033.1587 -109595.0578 299.0353 -161628.2165 -109243.9713 299.2118 7.1601 35.4911 761881.7336 -5.9757 -5.9097 PRESSURE: 867200 -143.169 175.259 -246.368 175.259 252.934 -94.547 -246.369 -94.5474 415.626 GPRESSURE: 867200 -94.4869 186.628 -284.376 205.476 290.293 -100.909 -180.843 -23.985 416.025 PRESSAVG: 867200 -36.3662 -14.4482 83.1214 -14.4482 13.7232 13.2421 83.1215 13.242 -8.33981 GPRESSAVG: 867200 -36.4861 -15.4911 83.3001 -14.7768 13.3836 13.2158 81.5966 12.4092 -7.82131 TIMING: 867200 CPU: 2802.14, 0.00317196/step Wall: 2802.14, 0.00317196/step, 3.64141 hours remaining, 231.292969 MB of memory in use. ENERGY: 867200 4078.0939 20438.6631 14446.7077 253.0155 -203842.9690 2755.9474 0.0000 0.0000 52191.4269 -109679.1146 299.9448 -161870.5415 -109318.5783 299.1098 175.1303 203.9436 760120.9597 -10.3276 -10.3079 PRESSURE: 867400 -400.928 68.5924 -228.514 68.5928 -439.54 230.341 -228.514 230.341 256.562 GPRESSURE: 867400 -329.809 171.892 -251.368 122.364 -346.849 286.884 -90.3414 238.636 171.003 PRESSAVG: 867400 -2.50649 10.837 22.7888 10.837 59.5873 34.5368 22.7888 34.5369 -8.52988 GPRESSAVG: 867400 -2.9995 12.5059 21.9441 10.0186 59.1934 35.0965 24.4152 33.2217 -7.91564 TIMING: 867400 CPU: 2802.77, 0.00318362/step Wall: 2802.77, 0.00318362/step, 3.65462 hours remaining, 231.292969 MB of memory in use. ENERGY: 867400 3974.1356 20425.1992 14434.3010 242.2762 -202980.2917 2213.9994 0.0000 0.0000 52145.9136 -109544.4668 299.6833 -161690.3804 -109177.0634 299.0610 -194.6353 -168.5518 760702.2378 16.1836 16.0927 PRESSURE: 867600 43.1423 -162.115 106.038 -162.115 204.045 264.856 106.037 264.856 54.5896 GPRESSURE: 867600 95.0372 -169.087 149.722 -115.44 216.638 288.312 34.8118 271.674 85.1881 PRESSAVG: 867600 -45.4723 -24.7435 -2.02762 -24.7435 36.187 78.9914 -2.0276 78.9914 -1.29656 GPRESSAVG: 867600 -45.0131 -25.2676 -0.823528 -23.1279 36.3163 78.9233 -5.48033 77.9647 -2.26981 TIMING: 867600 CPU: 2803.41, 0.00317063/step Wall: 2803.41, 0.00317063/step, 3.63953 hours remaining, 231.292969 MB of memory in use. ENERGY: 867600 3921.6668 20691.2786 14459.9929 231.3592 -203153.1354 2454.4379 0.0000 0.0000 51873.7848 -109520.6151 298.1194 -161394.3999 -109159.7495 299.4505 100.5922 132.2879 760951.7393 -3.5273 -3.6555 PRESSURE: 867800 19.6704 -90.2057 164.402 -90.205 -2.45817 -204.263 164.403 -204.262 96.8964 GPRESSURE: 867800 -61.5718 -125.87 142.426 21.5984 139.47 -229.662 104.02 -220.984 108.332 PRESSAVG: 867800 -69.6461 -18.138 4.8476 -18.1379 35.0361 3.99619 4.8476 3.99617 -13.6083 GPRESSAVG: 867800 -70.4368 -16.5651 5.48049 -19.5018 34.987 3.85227 5.38688 5.43985 -12.4859 TIMING: 867800 CPU: 2804.04, 0.00316034/step Wall: 2804.04, 0.00316034/step, 3.62755 hours remaining, 231.292969 MB of memory in use. ENERGY: 867800 3901.2007 20571.3599 14455.5696 240.0404 -203054.2185 2226.4826 0.0000 0.0000 52081.5548 -109578.0105 299.3134 -161659.5653 -109219.9810 299.0500 38.0362 62.0769 760452.9869 -16.0728 -15.9786 PRESSURE: 868000 -254.264 -31.9752 -382.262 -31.975 145.288 -8.98041 -382.262 -8.98038 -273.088 GPRESSURE: 868000 -128.026 -124.277 -374.979 -33.9116 132.621 -49.7511 -327.293 42.5823 -292.611 PRESSAVG: 868000 -56.6305 -22.3044 1.30636 -22.3044 12.7254 12.5469 1.30642 12.5469 -2.54112 GPRESSAVG: 868000 -57.0117 -23.1895 -0.0794068 -23.7958 13.5959 11.3483 1.39291 11.9527 -3.43287 TIMING: 868000 CPU: 2804.67, 0.00315953/step Wall: 2804.67, 0.00315953/step, 3.62644 hours remaining, 231.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 868000 4007.7458 20373.8083 14504.6097 230.3998 -203444.0464 2610.0180 0.0000 0.0000 52194.1622 -109523.3026 299.9606 -161717.4648 -109170.9398 299.8045 -127.3545 -96.0054 760235.4208 -15.4820 -15.6163 PRESSURE: 868200 10.5467 136.31 218.883 136.31 115.703 -2.71942 218.883 -2.71931 -218.833 GPRESSURE: 868200 19.9154 134.811 346.945 166.391 97.1745 12.2437 240.57 88.0001 -112.003 PRESSAVG: 868200 -37.0598 4.03801 26.7281 4.038 33.8528 2.88283 26.7281 2.88288 -8.30818 GPRESSAVG: 868200 -37.5423 3.26673 26.2773 3.69517 33.7657 3.4633 29.1735 3.09367 -7.31788 TIMING: 868200 CPU: 2805.3, 0.00316153/step Wall: 2805.3, 0.00316152/step, 3.62855 hours remaining, 231.292969 MB of memory in use. ENERGY: 868200 4014.7798 20434.1241 14418.4882 244.3019 -203586.8724 2805.8133 0.0000 0.0000 52075.2363 -109594.1289 299.2771 -161669.3651 -109230.0744 299.8235 -30.8611 1.6957 761701.0077 -3.8384 -3.6982 LDB: ============= START OF LOAD BALANCING ============== 2817.72 LDB: ============== END OF LOAD BALANCING =============== 2817.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2817.73 LDB: ============= START OF LOAD BALANCING ============== 2818.04 LDB: Largest compute 7075 load 0.037309 is 19.1% of average load 0.195535 LDB: Average compute 0.004394 is 2.2% of average load 0.195535 LDB: TIME 2818.04 LOAD: AVG 0.195535 MAX 0.216587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.84 MB LDB: TIME 2818.04 LOAD: AVG 0.195535 MAX 0.216587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.039 MB LDB: TIME 2818.05 LOAD: AVG 0.195535 MAX 0.216587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.039 MB LDB: ============== END OF LOAD BALANCING =============== 2818.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2818.05 PRESSURE: 868400 145.543 53.342 188.189 53.3425 185.989 -18.2892 188.188 -18.2894 159.321 GPRESSURE: 868400 196.037 -91.4432 221.433 -94.0385 260.415 25.6704 206.894 -15.6942 120.431 PRESSAVG: 868400 -44.1635 -7.75324 40.4768 -7.75323 30.871 -33.462 40.4769 -33.4619 -6.20462 GPRESSAVG: 868400 -44.2668 -6.47244 41.4394 -7.52372 31.1766 -32.7212 38.6206 -35.3709 -6.29262 TIMING: 868400 CPU: 2805.95, 0.00321024/step Wall: 2805.95, 0.00321024/step, 3.68429 hours remaining, 231.839844 MB of memory in use. ENERGY: 868400 3976.0785 20380.9144 14402.2137 249.0287 -203452.5482 2776.8509 0.0000 0.0000 52220.4211 -109447.0408 300.1115 -161667.4619 -109087.2636 299.6277 163.6179 192.2942 760369.6360 -6.4990 -6.4610 PRESSURE: 868600 -126.237 71.2002 106.026 71.2 373.423 -165.511 106.026 -165.511 -322.937 GPRESSURE: 868600 -62.2701 68.2312 129.146 93.6386 375.202 -131.824 144.836 -227.378 -310.251 PRESSAVG: 868600 -45.9811 -30.9287 22.4441 -30.9287 -2.63809 -44.857 22.444 -44.857 8.55975 GPRESSAVG: 868600 -45.4888 -31.4667 21.9115 -29.9675 -3.96876 -44.3985 24.7388 -43.9243 9.76622 TIMING: 868600 CPU: 2806.58, 0.00315499/step Wall: 2806.58, 0.00315499/step, 3.6207 hours remaining, 232.093750 MB of memory in use. ENERGY: 868600 4032.8072 20636.1057 14508.7785 249.3626 -203069.7421 2435.8248 0.0000 0.0000 51915.6153 -109291.2480 298.3598 -161206.8633 -108926.2854 299.6089 -25.2504 0.8937 760457.7240 -13.3532 -13.2305 PRESSURE: 868800 290.246 -80.0888 -31.899 -80.0898 149.82 -43.241 -31.9 -43.241 449.337 GPRESSURE: 868800 271.446 -65.3583 -25.0342 -38.8376 191.061 -38.147 8.1762 165.483 517.012 PRESSAVG: 868800 15.2397 34.8918 -13.2463 34.8918 15.6017 15.1502 -13.2463 15.1502 -9.2121 GPRESSAVG: 868800 15.2689 33.3105 -11.999 34.4632 15.8772 15.3171 -16.208 16.7732 -9.74309 TIMING: 868800 CPU: 2807.21, 0.00318369/step Wall: 2807.21, 0.00318369/step, 3.65346 hours remaining, 232.093750 MB of memory in use. ENERGY: 868800 4044.5435 20454.3460 14456.0213 239.8795 -203461.3577 2523.8340 0.0000 0.0000 52127.0171 -109615.7164 299.5747 -161742.7335 -109259.1984 299.5606 296.4680 326.5063 760058.7510 7.2098 7.1344 PRESSURE: 869000 -193.912 213.897 24.9213 213.897 163.081 -33.8211 24.9207 -33.821 104.647 GPRESSURE: 869000 -215.295 214.633 -43.4823 139.319 250.935 -17.8269 -36.841 -115.533 124.863 PRESSAVG: 869000 -65.991 35.3628 -25.6682 35.3628 36.702 13.4404 -25.6682 13.4405 21.4286 GPRESSAVG: 869000 -66.2345 38.6697 -26.466 34.3781 37.8535 12.391 -24.0301 11.1884 19.7547 TIMING: 869000 CPU: 2807.85, 0.00318518/step Wall: 2807.85, 0.00318518/step, 3.655 hours remaining, 232.402344 MB of memory in use. ENERGY: 869000 3972.0656 20503.3787 14555.0549 251.0899 -203573.1267 2550.5024 0.0000 0.0000 52152.4609 -109588.5742 299.7209 -161741.0351 -109225.1494 299.4688 24.6053 53.5009 760349.1489 -2.6201 -2.8754 PRESSURE: 869200 -39.6734 -43.8417 -229.487 -43.8424 85.5289 -115.736 -229.486 -115.735 -39.0239 GPRESSURE: 869200 -19.3101 34.3963 -197.236 -12.2098 71.7842 -147.885 -13.9281 -112.787 29.7906 PRESSAVG: 869200 -20.8815 -29.7158 -13.6118 -29.7158 13.5844 -14.4089 -13.6118 -14.409 10.4635 GPRESSAVG: 869200 -20.5504 -31.4257 -13.2795 -28.0113 12.4698 -13.8679 -13.6928 -13.4277 11.0847 TIMING: 869200 CPU: 2808.49, 0.00317402/step Wall: 2808.49, 0.00317402/step, 3.64201 hours remaining, 232.402344 MB of memory in use. ENERGY: 869200 3942.6826 20550.4372 14492.3604 247.5442 -203348.8030 2600.2717 0.0000 0.0000 51855.1859 -109660.3210 298.0125 -161515.5068 -109303.2395 299.1716 2.2772 27.4216 761603.3185 1.0554 1.0013 PRESSURE: 869400 -98.2163 -38.8605 -93.9745 -38.8609 135.049 51.5853 -93.9748 51.5849 179.13 GPRESSURE: 869400 -75.7986 -59.2902 -81.1589 -9.92295 198.276 3.76606 -80.055 17.6421 192.126 PRESSAVG: 869400 -76.8646 -45.6933 -37.8914 -45.6933 44.7671 -59.1392 -37.8913 -59.1392 11.2445 GPRESSAVG: 869400 -76.4816 -47.1019 -37.0209 -45.9079 44.6866 -60.2622 -37.661 -58.6432 11.0679 TIMING: 869400 CPU: 2809.12, 0.00315921/step Wall: 2809.12, 0.00315921/step, 3.62485 hours remaining, 232.402344 MB of memory in use. ENERGY: 869400 4059.9868 20590.5635 14480.2113 245.0812 -203417.9586 2613.7137 0.0000 0.0000 51919.2414 -109509.1606 298.3806 -161428.4020 -109146.6867 299.4231 71.9874 104.8679 760519.7429 -6.9510 -6.9091 PRESSURE: 869600 -331.375 -140.289 -76.6305 -140.289 -250.905 -14.5192 -76.6311 -14.5184 -180.25 GPRESSURE: 869600 -256.12 -135.607 -13.4521 -153.038 -191.427 -36.9002 -110.723 -132.481 -215.698 PRESSAVG: 869600 3.44689 -50.4992 -63.1031 -50.4993 -6.79478 -10.5262 -63.1031 -10.5262 19.9954 GPRESSAVG: 869600 4.27212 -49.2958 -64.2819 -50.8569 -6.99764 -9.74899 -61.8921 -11.0339 20.1008 TIMING: 869600 CPU: 2809.76, 0.00319247/step Wall: 2809.76, 0.00319247/step, 3.66283 hours remaining, 232.402344 MB of memory in use. ENERGY: 869600 4020.1474 20466.8796 14478.4811 261.4452 -203580.2247 2516.3390 0.0000 0.0000 52341.7700 -109495.1624 300.8089 -161836.9324 -109130.6501 299.5625 -254.1768 -221.0816 762536.4501 5.5492 5.7917 PRESSURE: 869800 -96.4405 -31.6138 99.262 -31.6143 -103.135 239.604 99.262 239.604 -75.4547 GPRESSURE: 869800 -149.271 38.9747 31.9395 -11.816 0.70095 198.806 153.557 219.33 -56.4807 PRESSAVG: 869800 -13.3079 -37.8973 40.6542 -37.8973 29.6065 -25.4137 40.6542 -25.4138 6.29354 GPRESSAVG: 869800 -14.0517 -37.3616 40.2427 -38.9004 30.25 -26.5591 38.4511 -27.479 6.20831 TIMING: 869800 CPU: 2810.39, 0.00316814/step Wall: 2810.39, 0.00316814/step, 3.63474 hours remaining, 232.402344 MB of memory in use. ENERGY: 869800 4009.1242 20464.4275 14481.6995 254.3166 -203162.0586 2334.8157 0.0000 0.0000 52061.8011 -109555.8740 299.1999 -161617.6751 -109190.3224 299.3174 -91.6768 -68.3502 762241.3598 7.5307 7.4689 PRESSURE: 870000 149.259 29.0422 -3.37812 29.042 15.5723 -143.242 -3.37834 -143.241 325.911 GPRESSURE: 870000 238.994 55.7945 2.03459 -54.4377 10.7363 -83.7843 16.9857 -169.527 332.061 PRESSAVG: 870000 14.3655 -38.5243 -24.4726 -38.5243 -1.87168 -16.4062 -24.4726 -16.4062 -4.80077 GPRESSAVG: 870000 13.7364 -38.6969 -25.011 -37.5792 -2.06493 -15.0515 -22.071 -14.3516 -3.80679 TIMING: 870000 CPU: 2811.02, 0.00316164/step Wall: 2811.02, 0.00316164/step, 3.6271 hours remaining, 232.402344 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: 870000 4020.9177 20369.2688 14430.6232 258.0600 -203540.0600 2591.5058 0.0000 0.0000 52158.2227 -109711.4619 299.7540 -161869.6846 -109346.3888 298.5995 163.5808 193.9303 759947.1875 2.5643 2.6216 PRESSURE: 870200 20.249 -95.1804 64.561 -95.1806 100.296 21.9402 64.5598 21.9388 -228.988 GPRESSURE: 870200 85.519 -117.532 106.081 -115.141 51.739 -70.4937 -53.3986 -97.3163 -145.57 PRESSAVG: 870200 29.7605 3.02111 -10.3865 3.02119 -35.7247 -38.4452 -10.3865 -38.4452 20.716 GPRESSAVG: 870200 29.5273 3.01396 -9.3276 2.16101 -34.5102 -39.1609 -13.3445 -38.4542 19.4177 TIMING: 870200 CPU: 2811.66, 0.00317194/step Wall: 2811.66, 0.00317194/step, 3.63874 hours remaining, 232.402344 MB of memory in use. ENERGY: 870200 4000.4131 20403.9095 14531.4961 252.3566 -203459.5942 2847.7678 0.0000 0.0000 51669.9651 -109753.6860 296.9480 -161423.6512 -109398.8051 299.1309 -36.1478 -2.7707 760937.9721 4.9173 4.8116 PRESSURE: 870400 10.9764 10.3775 -63.0547 10.378 -72.2388 71.6116 -63.0546 71.6124 -224.557 GPRESSURE: 870400 86.4809 53.4391 -148.673 -17.0828 -112.871 94.4118 -18.0159 -87.7112 -185.784 PRESSAVG: 870400 6.0764 11.6377 15.0213 11.6376 16.0425 -65.4336 15.0212 -65.4336 -16.7719 GPRESSAVG: 870400 5.20453 11.4792 15.0682 12.7185 16.3645 -67.5427 17.1725 -66.1836 -16.4715 TIMING: 870400 CPU: 2812.29, 0.00317042/step Wall: 2812.29, 0.00317042/step, 3.63683 hours remaining, 232.402344 MB of memory in use. ENERGY: 870400 3933.7193 20744.0739 14443.3061 257.1958 -203229.3115 2306.2989 0.0000 0.0000 51902.0699 -109642.6475 298.2819 -161544.7174 -109280.4521 298.5496 -95.2732 -70.7246 760880.5617 1.7823 1.6992 PRESSURE: 870600 205.48 -48.4575 219.376 -48.4569 139.717 187.152 219.377 187.15 174.416 GPRESSURE: 870600 292.869 -80.1889 288.777 -141.474 171.524 190.155 159.616 63.4254 133.89 PRESSAVG: 870600 -31.2055 -11.2917 -11.95 -11.2918 -6.01954 8.94049 -11.95 8.94053 9.58355 GPRESSAVG: 870600 -31.8077 -10.484 -11.3193 -12.1098 -5.76944 10.6484 -12.7723 8.7616 10.2299 TIMING: 870600 CPU: 2812.92, 0.00317141/step Wall: 2812.92, 0.00317141/step, 3.63778 hours remaining, 232.402344 MB of memory in use. ENERGY: 870600 3938.6137 20448.4631 14464.2196 266.0786 -203582.6695 2709.1237 0.0000 0.0000 52053.5470 -109702.6237 299.1525 -161756.1708 -109335.8411 298.8308 173.2045 199.4277 761295.0934 -9.2138 -9.1157 PRESSURE: 870800 -578.178 -52.9675 63.0128 -52.9678 -151.397 -85.2412 63.0127 -85.2411 36.5279 GPRESSURE: 870800 -483.616 -70.4558 101.799 -34.2158 -173.672 -17.3607 57.537 -70.4305 37.5407 PRESSAVG: 870800 62.8226 11.9902 6.58758 11.9902 -86.5061 26.8095 6.58758 26.8096 -20.0278 GPRESSAVG: 870800 64.9197 10.1961 6.79351 11.6752 -87.5435 28.7336 6.75052 25.5914 -20.658 TIMING: 870800 CPU: 2813.56, 0.00319146/step Wall: 2813.56, 0.00319146/step, 3.6606 hours remaining, 232.402344 MB of memory in use. ENERGY: 870800 3975.0597 20649.3812 14426.5601 264.8767 -203398.0233 2427.8308 0.0000 0.0000 51990.6869 -109663.6278 298.7912 -161654.3147 -109315.6270 298.6036 -231.0159 -206.5825 761014.4146 -14.5704 -14.4273 PRESSURE: 871000 -2.87409 -8.16682 -91.6508 -8.16608 -4.68879 220.025 -91.6515 220.025 43.4551 GPRESSURE: 871000 63.8785 45.3939 -115.592 26.3341 22.8932 243.19 19.7106 140.202 38.0929 PRESSAVG: 871000 -27.1528 -83.3393 23.1791 -83.3393 -9.70416 36.2109 23.1791 36.2109 15.8653 GPRESSAVG: 871000 -27.104 -81.6003 21.4109 -83.0696 -10.0549 33.9886 22.9142 35.9403 16.1983 TIMING: 871000 CPU: 2814.2, 0.00319692/step Wall: 2814.2, 0.00319692/step, 3.66669 hours remaining, 232.402344 MB of memory in use. ENERGY: 871000 4037.6679 20506.8331 14419.0052 265.4540 -203401.8337 2565.2255 0.0000 0.0000 51836.0043 -109771.6436 297.9022 -161607.6479 -109415.9242 299.3036 11.9641 41.6215 761048.9897 -6.9972 -6.9869 PRESSURE: 871200 159.858 121.252 21.2193 121.252 317.852 112.691 21.2185 112.69 -20.835 GPRESSURE: 871200 145.601 131.591 -6.01462 146.223 435.411 97.8321 -102.157 74.3435 -40.4507 PRESSAVG: 871200 -16.4582 -68.5584 -21.7132 -68.5585 20.4009 -0.887594 -21.7132 -0.887593 -6.20663 GPRESSAVG: 871200 -18.1392 -69.9825 -19.2229 -68.3055 21.0343 -0.757449 -22.1957 0.706589 -5.61645 TIMING: 871200 CPU: 2814.84, 0.00317046/step Wall: 2814.84, 0.00317046/step, 3.63617 hours remaining, 232.402344 MB of memory in use. ENERGY: 871200 3915.2198 20677.0449 14414.7388 281.8738 -203202.4692 2437.4026 0.0000 0.0000 51804.1873 -109672.0022 297.7194 -161476.1894 -109316.8549 299.2172 152.2920 180.1872 761147.6580 -0.7547 -0.9071 PRESSURE: 871400 -355.13 112.148 423.094 112.149 163.835 -89.631 423.094 -89.6321 -422.687 GPRESSURE: 871400 -242.961 -25.6754 321.182 133.888 104.619 -34.2778 348.571 -104.595 -372.533 PRESSAVG: 871400 -37.8263 -15.5339 18.8967 -15.5339 37.6738 -33.8177 18.8967 -33.8177 0.991649 GPRESSAVG: 871400 -36.2313 -15.0861 17.8122 -15.4383 36.6047 -32.9318 19.938 -35.668 0.73623 TIMING: 871400 CPU: 2815.47, 0.00319082/step Wall: 2815.47, 0.00319082/step, 3.65934 hours remaining, 232.402344 MB of memory in use. ENERGY: 871400 3957.5703 20534.1777 14420.2440 259.1081 -203230.1942 2488.0342 0.0000 0.0000 52022.2317 -109548.8282 298.9725 -161571.0598 -109189.9007 298.9516 -204.6607 -170.2915 761377.4750 0.2797 0.3699 PRESSURE: 871600 89.6718 -2.67471 150.237 -2.67483 -330.868 -28.5459 150.236 -28.547 -192.531 GPRESSURE: 871600 43.2526 -122.995 166.525 45.4454 -250.228 -55.4835 53.07 -50.4441 -115.079 PRESSAVG: 871600 -12.2327 -31.177 -5.98575 -31.177 36.6769 -32.4345 -5.98579 -32.4344 32.9992 GPRESSAVG: 871600 -12.1651 -29.7374 -6.47706 -30.0205 37.5172 -32.0906 -6.35488 -32.8023 31.6859 TIMING: 871600 CPU: 2816.11, 0.0031671/step Wall: 2816.11, 0.0031671/step, 3.63196 hours remaining, 232.402344 MB of memory in use. ENERGY: 871600 4051.4172 20693.9147 14374.0201 249.4949 -203340.4448 2574.5292 0.0000 0.0000 52040.5961 -109356.4726 299.0780 -161397.0687 -108993.1130 299.3731 -144.5756 -107.3516 759685.3625 19.1478 19.0126 PRESSURE: 871800 -163.248 -107.397 -40.0248 -107.396 -260.263 74.2857 -40.0239 74.2855 -352.939 GPRESSURE: 871800 -130.259 -95.461 26.1692 -91.5704 -210.505 95.5114 -297.835 192.443 -356.961 PRESSAVG: 871800 -13.7814 -66.254 41.1818 -66.254 4.81593 -32.8093 41.1819 -32.8093 -1.41001 GPRESSAVG: 871800 -15.8893 -66.3636 42.0384 -66.1526 4.92435 -31.5612 42.4008 -33.0626 0.121232 TIMING: 871800 CPU: 2816.74, 0.00314931/step Wall: 2816.74, 0.00314931/step, 3.61138 hours remaining, 232.402344 MB of memory in use. ENERGY: 871800 4052.8066 20301.0937 14404.9038 239.3384 -202673.5681 2118.4610 0.0000 0.0000 52151.9130 -109405.0516 299.7178 -161556.9646 -109032.3772 299.3887 -258.8163 -232.5747 762147.8619 -3.4585 -3.6146 PRESSURE: 872000 -93.8658 129.662 63.8216 129.662 72.0057 -136.224 63.8219 -136.224 -4.76337 GPRESSURE: 872000 -81.9585 60.7892 80.4879 21.4046 169.411 -165.887 -10.4314 -82.1658 -36.449 PRESSAVG: 872000 -57.7707 -40.4474 17.9022 -40.4474 48.9446 -25.7905 17.9023 -25.7904 -12.6449 GPRESSAVG: 872000 -57.7018 -39.4935 17.8678 -43.0802 49.1861 -27.0172 19.0956 -22.3705 -13.3562 TIMING: 872000 CPU: 2817.37, 0.00316898/step Wall: 2817.37, 0.00316898/step, 3.63376 hours remaining, 232.402344 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: 872000 4058.1824 20648.1079 14401.9637 227.8440 -203203.2581 2496.6412 0.0000 0.0000 51990.9963 -109379.5226 298.7930 -161370.5189 -109030.3710 299.6625 -8.8745 17.0013 760307.5056 -7.1570 -7.2906 PRESSURE: 872200 -172.193 77.2092 149.098 77.2082 -206.675 43.1989 149.098 43.1987 -67.9191 GPRESSURE: 872200 -212.232 33.3116 180.599 15.0895 -110.937 24.5316 -9.00571 101.137 -62.8867 PRESSAVG: 872200 -13.1583 -25.4052 58.5376 -25.4052 -1.78201 -46.6224 58.5376 -46.6225 15.0211 GPRESSAVG: 872200 -12.8549 -28.5762 57.8543 -25.0806 -2.68418 -46.5645 57.8363 -47.8684 15.165 TIMING: 872200 CPU: 2818, 0.00316334/step Wall: 2818, 0.00316334/step, 3.62712 hours remaining, 232.402344 MB of memory in use. ENERGY: 872200 4055.5760 20533.8901 14459.7770 246.8628 -203114.4751 2392.8574 0.0000 0.0000 52088.4418 -109337.0700 299.3530 -161425.5118 -108979.9109 299.6851 -148.9294 -128.6851 761891.2927 0.0269 -0.1247 LDB: ============= START OF LOAD BALANCING ============== 2830.43 LDB: ============== END OF LOAD BALANCING =============== 2830.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2830.43 LDB: ============= START OF LOAD BALANCING ============== 2830.74 LDB: Largest compute 7075 load 0.036995 is 18.9% of average load 0.195378 LDB: Average compute 0.004389 is 2.2% of average load 0.195378 LDB: TIME 2830.75 LOAD: AVG 0.195378 MAX 0.216537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 2830.75 LOAD: AVG 0.195378 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: TIME 2830.75 LOAD: AVG 0.195378 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: ============== END OF LOAD BALANCING =============== 2830.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2830.75 PRESSURE: 872400 275.925 12.2715 216.362 12.2718 359.488 81.7255 216.362 81.7256 -150.416 GPRESSURE: 872400 233.425 32.83 214.061 97.132 438.141 46.8276 176.915 102.156 -119.34 PRESSAVG: 872400 6.25804 -26.9293 32.4721 -26.9293 9.90238 48.7968 32.4722 48.7968 12.3513 GPRESSAVG: 872400 5.95279 -26.8062 31.4505 -26.2372 10.5228 49.5213 30.9106 46.243 12.0787 TIMING: 872400 CPU: 2818.65, 0.0032204/step Wall: 2818.65, 0.0032204/step, 3.69236 hours remaining, 231.578125 MB of memory in use. ENERGY: 872400 4060.6636 20605.1607 14456.9851 259.4433 -203740.0636 2709.9755 0.0000 0.0000 52186.5051 -109461.3304 299.9166 -161647.8355 -109106.4550 299.9165 161.6656 184.0751 760774.4031 9.5039 9.5181 PRESSURE: 872600 -8.12007 -133.354 -90.7154 -133.355 245.544 -199.185 -90.715 -199.186 125.457 GPRESSURE: 872600 -56.5173 -109.7 -69.2334 -100.738 231.342 -180.667 -75.5281 -76.7056 277.739 PRESSAVG: 872600 -46.5429 -19.7883 20.1485 -19.7884 0.391407 -21.2094 20.1486 -21.2095 11.9871 GPRESSAVG: 872600 -45.7137 -19.8734 20.6779 -18.4569 1.07396 -21.5031 20.6804 -19.9381 11.5683 TIMING: 872600 CPU: 2819.29, 0.0031861/step Wall: 2819.29, 0.0031861/step, 3.65287 hours remaining, 231.781250 MB of memory in use. ENERGY: 872600 4017.9342 20530.5126 14444.3966 234.6001 -203117.0910 2406.8204 0.0000 0.0000 51929.2696 -109553.5574 298.4382 -161482.8270 -109206.7599 299.7759 120.9605 150.8547 759899.7002 -11.3881 -11.0238 PRESSURE: 872800 -216.309 87.8051 159.158 87.8048 -69.5393 -211.816 159.157 -211.817 6.8637 GPRESSURE: 872800 -104.683 0.0326048 50.3091 -24.8235 -60.8524 -189.567 130.81 -113.923 -26.6145 PRESSAVG: 872800 7.82104 36.0267 66.2358 36.0267 16.7718 -22.0805 66.2358 -22.0805 -2.09976 GPRESSAVG: 872800 7.20898 36.6848 65.8603 35.3904 16.1195 -23.4494 65.7506 -19.0898 -0.777183 TIMING: 872800 CPU: 2819.92, 0.00317402/step Wall: 2819.92, 0.00317402/step, 3.63884 hours remaining, 231.781250 MB of memory in use. ENERGY: 872800 4004.0191 20376.1921 14517.4446 240.3568 -203049.5820 2278.6098 0.0000 0.0000 52010.2002 -109622.7594 298.9033 -161632.9595 -109259.3360 299.3181 -92.9950 -64.0499 760392.1013 7.4977 7.5171 PRESSURE: 873000 -101.36 54.3753 157.315 54.3755 -60.9206 -60.7095 157.315 -60.7093 -260.76 GPRESSURE: 873000 -47.046 131.061 81.1332 -98.3479 -64.8 -34.731 110.656 -88.2329 -211.094 PRESSAVG: 873000 -16.5462 37.549 24.6424 37.549 49.7613 31.3284 24.6425 31.3284 -0.383575 GPRESSAVG: 873000 -16.1742 39.0114 24.1603 38.0593 49.3162 33.101 25.0618 29.7191 -0.598902 TIMING: 873000 CPU: 2820.56, 0.00318413/step Wall: 2820.56, 0.00318413/step, 3.65026 hours remaining, 231.781250 MB of memory in use. ENERGY: 873000 3950.0595 20659.6371 14500.5972 233.1882 -203536.4751 2387.7520 0.0000 0.0000 52135.0741 -109670.1671 299.6210 -161805.2412 -109308.7616 299.0053 -141.0136 -107.6467 759969.9726 10.9438 10.8477 PRESSURE: 873200 108.684 135.536 120.203 135.536 268.366 209.501 120.203 209.501 602.782 GPRESSURE: 873200 211.536 128.977 114.642 102.905 227.947 171.282 129.606 9.21069 618.343 PRESSAVG: 873200 -61.6292 -40.6215 56.0823 -40.6216 59.2181 25.1018 56.0823 25.1018 30.763 GPRESSAVG: 873200 -61.0711 -39.8622 56.3727 -43.2711 58.2354 23.5762 56.0952 26.1443 31.3738 TIMING: 873200 CPU: 2821.19, 0.00317423/step Wall: 2821.19, 0.00317423/step, 3.63873 hours remaining, 231.781250 MB of memory in use. ENERGY: 873200 3912.3765 20532.2477 14412.2251 233.9551 -203507.3438 2650.0424 0.0000 0.0000 51961.1948 -109805.3022 298.6217 -161766.4970 -109449.2074 298.6645 326.6106 352.6087 759946.0959 9.4507 9.5127 PRESSURE: 873400 -473.203 22.8957 -210.043 22.8958 -328.825 -89.1151 -210.043 -89.1155 -479.959 GPRESSURE: 873400 -456.706 154.724 -128.869 1.88563 -256.403 7.37207 -245.993 14.0344 -491.379 PRESSAVG: 873400 -63.8736 -41.4814 72.1505 -41.4813 43.6272 8.57191 72.1505 8.57192 -9.68348 GPRESSAVG: 873400 -63.9171 -40.4982 72.4749 -41.5085 43.3914 9.035 74.0585 6.78945 -9.53769 TIMING: 873400 CPU: 2821.83, 0.00317147/step Wall: 2821.83, 0.00317147/step, 3.63539 hours remaining, 231.781250 MB of memory in use. ENERGY: 873400 4021.0575 20553.1764 14484.2027 238.6752 -203483.2357 2284.8663 0.0000 0.0000 51871.9155 -110029.3420 298.1086 -161901.2575 -109668.3205 298.3226 -427.3288 -401.4959 760466.7122 -9.9766 -10.0211 PRESSURE: 873600 305.186 114.992 -7.06611 114.992 87.6664 -297.121 -7.06479 -297.122 121.477 GPRESSURE: 873600 329.745 130.346 -68.4835 230.87 189.05 -221.815 34.3809 -284.093 125.161 PRESSAVG: 873600 -39.3969 -26.3915 -14.9819 -26.3916 45.3751 6.58106 -14.9819 6.58103 24.3418 GPRESSAVG: 873600 -38.3096 -27.4788 -15.4426 -22.1025 45.3172 6.14038 -14.6972 8.62646 23.5232 TIMING: 873600 CPU: 2822.46, 0.00317809/step Wall: 2822.46, 0.00317809/step, 3.6428 hours remaining, 231.781250 MB of memory in use. ENERGY: 873600 4069.8050 20410.9459 14446.0685 260.8820 -203661.2534 2638.3247 0.0000 0.0000 52049.1287 -109786.0986 299.1271 -161835.2273 -109423.7742 298.3182 171.4431 214.6521 758839.6642 10.1067 10.1769 PRESSURE: 873800 -225.312 12.3607 -125.581 12.3599 -266.912 -100.111 -125.581 -100.111 -312.543 GPRESSURE: 873800 -197.377 54.7769 -185.077 68.9021 -212.541 -195.2 -85.1759 -68.209 -311.844 PRESSAVG: 873800 36.3829 -12.4878 29.8424 -12.4878 -24.4216 35.4024 29.8423 35.4024 1.81428 GPRESSAVG: 873800 35.7198 -12.6528 29.7476 -17.0322 -23.568 36.6755 27.8396 34.691 1.07191 TIMING: 873800 CPU: 2823.1, 0.00317446/step Wall: 2823.1, 0.00317446/step, 3.63846 hours remaining, 231.781250 MB of memory in use. ENERGY: 873800 3988.0876 20469.7817 14464.6931 252.9733 -203534.0445 2376.9829 0.0000 0.0000 52039.0611 -109942.4649 299.0692 -161981.5259 -109589.5050 299.1771 -268.2557 -240.5871 759269.6581 4.5919 4.4079 PRESSURE: 874000 -33.2213 199.554 118.523 199.554 -47.1777 40.7066 118.523 40.7062 -499.749 GPRESSURE: 874000 -74.451 112.446 121.743 113.254 -31.6963 206.934 90.8328 82.7481 -390.058 PRESSAVG: 874000 -21.0421 -22.481 13.1805 -22.481 8.23006 -29.6984 13.1806 -29.6983 -11.8581 GPRESSAVG: 874000 -21.5991 -24.147 12.8299 -21.9178 8.88165 -30.7163 14.3505 -29.0889 -11.622 TIMING: 874000 CPU: 2823.73, 0.00314889/step Wall: 2823.73, 0.00314889/step, 3.60898 hours remaining, 231.781250 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: 874000 4015.6891 20579.6742 14529.2329 244.5329 -203581.1257 2356.8082 0.0000 0.0000 51959.9797 -109895.2087 298.6147 -161855.1884 -109526.3970 298.6586 -193.3828 -165.4018 758877.8159 -8.2234 -8.1132 PRESSURE: 874200 -258.912 7.77717 57.9033 7.77742 -180.114 65.3543 57.9033 65.3543 17.9715 GPRESSURE: 874200 -235.69 6.0985 110.16 34.4719 -152.291 65.696 -30.7582 49.8623 40.0676 PRESSAVG: 874200 37.2846 -47.6842 2.19563 -47.6842 -32.665 16.7908 2.19568 16.7908 1.64732 GPRESSAVG: 874200 36.7311 -45.4522 2.73641 -46.9274 -33.3611 18.0176 1.63029 15.4782 2.17452 TIMING: 874200 CPU: 2824.36, 0.00317623/step Wall: 2824.36, 0.00317623/step, 3.64014 hours remaining, 231.781250 MB of memory in use. ENERGY: 874200 3950.6624 20493.2933 14512.5298 245.6087 -203170.4305 2408.2396 0.0000 0.0000 52062.7316 -109497.3651 299.2052 -161560.0968 -109130.0102 298.9808 -140.3516 -115.9711 761732.2235 2.0890 1.8482 PRESSURE: 874400 -191.099 -14.8742 12.8883 -14.8738 -129.106 -31.3515 12.8878 -31.3517 50.0162 GPRESSURE: 874400 -116.555 -105.877 42.7871 -6.15703 -52.301 0.752714 -14.2238 34.3589 5.72429 PRESSAVG: 874400 -58.1748 -29.0998 -65.947 -29.0998 42.2697 -18.2835 -65.947 -18.2834 2.22896 GPRESSAVG: 874400 -57.335 -31.6157 -64.1409 -28.5164 42.2396 -19.0686 -64.1788 -17.0429 0.885886 TIMING: 874400 CPU: 2824.99, 0.00315164/step Wall: 2824.99, 0.00315163/step, 3.61177 hours remaining, 231.781250 MB of memory in use. ENERGY: 874400 3976.9815 20462.7123 14468.3885 251.8830 -203358.0385 2555.2986 0.0000 0.0000 52174.5990 -109468.1757 299.8481 -161642.7747 -109097.3965 299.3260 -90.0630 -54.3771 762079.6039 -4.5587 -4.7365 PRESSURE: 874600 -158.791 23.7521 69.6483 23.7511 25.1936 81.2332 69.6494 81.2326 7.95735 GPRESSURE: 874600 -46.3923 -102.694 34.5697 -2.56333 29.2403 97.2891 90.2204 -13.5169 -47.325 PRESSAVG: 874600 -52.9562 -32.5365 -9.19847 -32.5365 37.077 14.8362 -9.19852 14.8361 -25.6746 GPRESSAVG: 874600 -53.6541 -32.5684 -10.257 -34.0988 36.4968 13.2837 -10.8096 12.6575 -24.1761 TIMING: 874600 CPU: 2825.63, 0.0031664/step Wall: 2825.63, 0.0031664/step, 3.62852 hours remaining, 231.781250 MB of memory in use. ENERGY: 874600 4026.4351 20583.4584 14457.4549 238.3408 -203301.3371 2451.7261 0.0000 0.0000 51942.5669 -109601.3550 298.5146 -161543.9218 -109239.6620 298.9032 -41.8801 -21.4923 761463.2340 -13.8513 -13.7778 PRESSURE: 874800 -19.7874 18.2698 45.6811 18.269 175.213 -29.5129 45.6805 -29.5129 155.079 GPRESSURE: 874800 22.5008 82.2821 -32.1659 26.2945 258.576 -65.3359 105.283 -9.15479 118.875 PRESSAVG: 874800 -17.3628 -41.5611 11.9254 -41.5611 53.6563 -12.4187 11.9254 -12.4187 -1.47989 GPRESSAVG: 874800 -17.966 -40.7898 13.3707 -38.6556 54.2359 -11.581 9.92935 -11.8043 -1.17266 TIMING: 874800 CPU: 2826.26, 0.00315993/step Wall: 2826.26, 0.00315992/step, 3.62092 hours remaining, 231.781250 MB of memory in use. ENERGY: 874800 3992.3999 20686.7734 14476.6748 234.1289 -203681.6182 2764.3791 0.0000 0.0000 51831.0106 -109696.2516 297.8735 -161527.2622 -109347.1140 299.3631 103.5016 133.3174 760002.6268 11.6045 11.6991 PRESSURE: 875000 189.902 219.964 74.2235 219.964 259.855 -98.4665 74.2243 -98.4662 -29.2874 GPRESSURE: 875000 251.147 128.34 61.5219 131.589 358.549 -105.209 181.518 17.4481 -91.0675 PRESSAVG: 875000 -25.0324 -95.378 -16.6195 -95.3781 34.8751 8.34175 -16.6194 8.34166 20.4175 GPRESSAVG: 875000 -23.4629 -96.4575 -17.9241 -97.2476 34.9463 8.75863 -12.2008 8.18148 19.0904 TIMING: 875000 CPU: 2826.89, 0.00315801/step Wall: 2826.89, 0.00315801/step, 3.61855 hours remaining, 231.781250 MB of memory in use. ENERGY: 875000 3994.2048 20420.2476 14567.0692 245.1521 -203574.4416 2840.1946 0.0000 0.0000 51878.8641 -109628.7092 298.1485 -161507.5733 -109268.6375 298.8355 140.1566 172.8761 761030.3691 10.0867 10.1913 PRESSURE: 875200 10.8771 112.411 -7.99794 112.41 -169.858 -45.8991 -7.99675 -45.8993 -338.494 GPRESSURE: 875200 9.46043 81.2596 3.30786 96.5627 -186.782 -165.152 5.47681 18.259 -229.489 PRESSAVG: 875200 5.64082 -32.1958 -0.347674 -32.1958 26.0378 18.1779 -0.347663 18.1779 26.6497 GPRESSAVG: 875200 4.71389 -29.6133 -1.55319 -32.5945 25.729 18.2072 -1.44867 19.7803 27.65 TIMING: 875200 CPU: 2827.52, 0.00316465/step Wall: 2827.52, 0.00316465/step, 3.62598 hours remaining, 231.781250 MB of memory in use. ENERGY: 875200 3937.5303 20677.5927 14475.9349 237.6456 -203498.1594 2614.3539 0.0000 0.0000 51856.9230 -109698.1792 298.0224 -161555.1021 -109333.1834 298.7811 -165.8251 -135.6037 761343.5459 19.4428 19.3643 PRESSURE: 875400 403.45 151.432 15.6722 151.432 132.498 319.822 15.672 319.822 271.809 GPRESSURE: 875400 456.557 142.834 -50.7549 32.9837 170.88 300.849 70.4687 161.883 259.85 PRESSAVG: 875400 2.50264 -40.1826 -2.64395 -40.1826 51.2002 19.1739 -2.64394 19.1737 20.9469 GPRESSAVG: 875400 2.59692 -41.6468 -1.90056 -40.389 51.6488 19.6514 -2.01186 17.1898 20.4208 TIMING: 875400 CPU: 2828.16, 0.00318978/step Wall: 2828.16, 0.00318978/step, 3.6546 hours remaining, 231.781250 MB of memory in use. ENERGY: 875400 3960.5470 20561.0011 14501.0736 249.4650 -204000.6168 2688.1044 0.0000 0.0000 52142.3601 -109898.0657 299.6629 -162040.4257 -109529.0905 298.7371 269.2521 295.7625 760537.9415 24.8832 24.8888 PRESSURE: 875600 110.22 -32.0282 85.4124 -32.028 -109.827 178.481 85.412 178.48 411.928 GPRESSURE: 875600 115.42 -91.0429 -4.89273 76.076 -37.3597 260.911 28.3333 1.94449 419.294 PRESSAVG: 875600 20.6211 -17.3103 -0.187218 -17.3103 -66.1867 -9.84958 -0.187217 -9.84963 -6.8688 GPRESSAVG: 875600 21.2756 -18.0388 -1.79052 -16.0173 -66.3532 -10.1636 0.352077 -10.7639 -6.67018 TIMING: 875600 CPU: 2828.79, 0.00316833/step Wall: 2828.79, 0.00316833/step, 3.62985 hours remaining, 231.781250 MB of memory in use. ENERGY: 875600 4024.8371 20534.5987 14455.5812 239.6326 -203862.4538 2921.4320 0.0000 0.0000 51896.9725 -109789.3998 298.2526 -161686.3722 -109432.9254 298.6668 137.4404 165.7850 761745.7010 -17.4782 -17.2493 PRESSURE: 875800 6.11632 -92.0764 165.211 -92.0773 -35.3326 -96.453 165.21 -96.4534 -389.796 GPRESSURE: 875800 35.137 -234.623 121.994 -51.5338 -41.165 -34.6656 214.07 -49.8891 -347.596 PRESSAVG: 875800 45.7889 -7.91449 50.5236 -7.91453 -37.8498 26.0984 50.5236 26.0984 -24.2268 GPRESSAVG: 875800 45.4827 -7.43846 54.2283 -8.37176 -37.8976 27.235 47.21 28.8175 -24.5167 TIMING: 875800 CPU: 2829.43, 0.00316766/step Wall: 2829.43, 0.00316766/step, 3.6289 hours remaining, 231.781250 MB of memory in use. ENERGY: 875800 4038.4688 20447.7762 14525.9792 255.3981 -203730.8974 2615.4130 0.0000 0.0000 52041.9919 -109805.8703 299.0860 -161847.8622 -109438.3274 299.0803 -139.6709 -117.8748 762080.9522 -5.4292 -5.6439 PRESSURE: 876000 -190.808 -68.6243 118.021 -68.6231 -95.6846 116.876 118.021 116.876 -362.138 GPRESSURE: 876000 -70.6009 -40.8173 203.491 -102.114 -162.143 37.2976 165.323 186.572 -332.454 PRESSAVG: 876000 -28.1685 -28.0196 -7.65058 -28.0196 24.3665 51.607 -7.65054 51.607 23.4957 GPRESSAVG: 876000 -27.0436 -27.612 -8.30116 -30.3381 23.2522 50.1747 -5.49554 50.4023 23.3591 TIMING: 876000 CPU: 2830.06, 0.00316248/step Wall: 2830.06, 0.00316248/step, 3.62279 hours remaining, 231.781250 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: 876000 4053.6534 20410.9494 14541.3927 253.3958 -203445.0429 2542.3854 0.0000 0.0000 51915.3035 -109727.9627 298.3580 -161643.2663 -109369.4475 298.4343 -216.2102 -188.3993 761229.0413 6.5646 6.5226 PRESSURE: 876200 170.482 38.4511 -133.452 38.4514 27.7849 303.077 -133.452 303.077 105.951 GPRESSURE: 876200 131.471 -45.5013 -90.2666 -48.779 109.902 240.967 -96.8774 206.537 135.861 PRESSAVG: 876200 9.49314 -35.4856 -37.2634 -35.4855 50.1744 60.3382 -37.2634 60.3382 -19.0777 GPRESSAVG: 876200 9.47705 -36.2577 -35.9004 -34.5551 50.4918 61.1385 -36.5893 59.2449 -19.5129 TIMING: 876200 CPU: 2830.7, 0.00317807/step Wall: 2830.7, 0.00317807/step, 3.64048 hours remaining, 231.781250 MB of memory in use. ENERGY: 876200 4062.5554 20602.7641 14505.8859 243.5509 -203450.5814 2354.0415 0.0000 0.0000 51855.1647 -109826.6189 298.0123 -161681.7836 -109471.4076 298.6602 101.4058 125.7446 760734.8453 13.5299 13.4853 LDB: ============= START OF LOAD BALANCING ============== 2843.12 LDB: ============== END OF LOAD BALANCING =============== 2843.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.12 LDB: ============= START OF LOAD BALANCING ============== 2843.44 LDB: Largest compute 7075 load 0.038418 is 19.7% of average load 0.195427 LDB: Average compute 0.004404 is 2.3% of average load 0.195427 LDB: TIME 2843.44 LOAD: AVG 0.195427 MAX 0.219383 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.125 MB LDB: TIME 2843.44 LOAD: AVG 0.195427 MAX 0.219383 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: TIME 2843.44 LOAD: AVG 0.195427 MAX 0.217819 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: ============== END OF LOAD BALANCING =============== 2843.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.45 PRESSURE: 876400 97.8864 -82.4957 187.482 -82.4955 269.044 -215.291 187.483 -215.292 268.737 GPRESSURE: 876400 218.646 -85.5577 104.135 -79.8605 298.91 -216.57 118.22 -211.827 200.884 PRESSAVG: 876400 -44.4562 -53.8427 29.8364 -53.8427 1.44417 12.1461 29.8364 12.1461 11.0803 GPRESSAVG: 876400 -44.783 -53.4585 28.3696 -54.3485 1.10946 12.5766 29.0198 12.1583 11.6158 TIMING: 876400 CPU: 2831.34, 0.00323647/step Wall: 2831.34, 0.00323647/step, 3.7072 hours remaining, 230.925781 MB of memory in use. ENERGY: 876400 4004.0315 20412.4431 14533.6225 249.0576 -203778.3581 2712.0219 0.0000 0.0000 52009.7884 -109857.3933 298.9010 -161867.1817 -109505.5466 298.5125 211.8891 239.4800 759825.5049 -10.6439 -10.6859 PRESSURE: 876600 -12.1947 -120.69 -201.691 -120.69 -59.5371 17.1905 -201.691 17.1897 -117.355 GPRESSURE: 876600 8.88833 -100.976 -243.911 -83.8709 -119.531 20.6216 -127.961 162.353 -8.90972 PRESSAVG: 876600 -8.5193 -74.8937 -47.7852 -74.8936 71.0916 27.8856 -47.7852 27.8856 -5.71235 GPRESSAVG: 876600 -9.39343 -74.2947 -46.8529 -74.072 71.5152 26.891 -47.6624 29.4012 -5.4959 TIMING: 876600 CPU: 2831.97, 0.00315899/step Wall: 2831.97, 0.00315899/step, 3.61827 hours remaining, 230.925781 MB of memory in use. ENERGY: 876600 3928.6329 20567.4855 14565.8060 264.2785 -203960.4448 2494.2792 0.0000 0.0000 51933.2335 -110206.7291 298.4610 -162139.9626 -109853.6822 298.2861 -63.0288 -39.8507 759685.5951 18.9533 18.8753 PRESSURE: 876800 -45.2589 0.45784 -104.102 0.458473 -82.256 89.2605 -104.102 89.26 14.0744 GPRESSURE: 876800 21.3306 -91.0808 -118.515 -53.8753 -6.41076 153.318 -179.869 -28.5376 -61.8544 PRESSAVG: 876800 -23.6716 -33.0983 -42.8054 -33.0983 6.75712 76.0406 -42.8054 76.0406 21.0891 GPRESSAVG: 876800 -23.5834 -33.4151 -43.3955 -33.6383 7.03136 77.1961 -41.6613 76.5575 20.1241 TIMING: 876800 CPU: 2832.61, 0.00316969/step Wall: 2832.61, 0.00316969/step, 3.63035 hours remaining, 231.007812 MB of memory in use. ENERGY: 876800 3946.6658 20371.8042 14476.1510 268.1205 -203984.4608 2641.0324 0.0000 0.0000 51599.6595 -110681.0275 296.5440 -162280.6870 -110324.5407 297.2778 -37.8135 -15.6449 760185.7112 1.3915 1.1907 PRESSURE: 877000 266.092 -302.313 2.26972 -302.313 166.019 12.5774 2.26976 12.5771 449.496 GPRESSURE: 877000 395.164 -227.01 -96.4491 -272.721 154.12 36.3858 -30.7383 56.9622 426.272 PRESSAVG: 877000 10.9356 -48.2893 -24.8587 -48.2893 33.0528 74.8095 -24.8588 74.8094 -21.2566 GPRESSAVG: 877000 11.2359 -50.2913 -25.3592 -48.2141 31.4218 74.638 -25.4061 73.3663 -19.9787 TIMING: 877000 CPU: 2833.24, 0.00316993/step Wall: 2833.24, 0.00316993/step, 3.63045 hours remaining, 231.007812 MB of memory in use. ENERGY: 877000 3845.2076 20494.4579 14460.9277 244.7634 -204474.0101 2982.4877 0.0000 0.0000 51988.3931 -110457.7728 298.7780 -162446.1659 -110092.9934 297.5192 293.8691 325.1850 759824.5232 7.5773 7.5597 PRESSURE: 877200 -68.3927 122.931 43.2784 122.931 54.7313 116.017 43.2779 116.018 395.587 GPRESSURE: 877200 -16.6762 133.926 30.9978 204.6 192.375 61.9624 -1.5484 143.202 302.655 PRESSAVG: 877200 31.5807 -60.6232 -36.3009 -60.6232 -16.893 12.6265 -36.3009 12.6265 2.8799 GPRESSAVG: 877200 31.1892 -56.8211 -34.878 -59.6034 -15.2703 10.0327 -36.3581 13.2891 1.81397 TIMING: 877200 CPU: 2833.88, 0.00316413/step Wall: 2833.88, 0.00316413/step, 3.62363 hours remaining, 231.007812 MB of memory in use. ENERGY: 877200 3948.6668 20523.2782 14497.3985 223.4701 -204275.2468 2936.4357 0.0000 0.0000 51705.8750 -110440.1225 297.1544 -162145.9974 -110089.7984 297.9019 127.3084 159.4513 759875.9951 5.8559 5.9110 PRESSURE: 877400 193.092 -112.651 -77.7168 -112.651 -4.53904 -186.513 -77.7157 -186.513 160.001 GPRESSURE: 877400 233.234 -265.615 -125.788 -61.5353 41.1391 -208.726 -42.5836 -112.361 143.984 PRESSAVG: 877400 -27.1889 9.94744 46.1495 9.94746 19.2656 18.9126 46.1495 18.9126 -16.7559 GPRESSAVG: 877400 -28.514 8.6568 45.7278 10.5141 19.0763 21.6698 44.392 18.9729 -15.5598 TIMING: 877400 CPU: 2834.51, 0.00318702/step Wall: 2834.51, 0.00318702/step, 3.64967 hours remaining, 231.007812 MB of memory in use. ENERGY: 877400 3973.8557 20462.9833 14506.6319 242.4545 -204054.4094 2700.5094 0.0000 0.0000 51940.0608 -110227.9137 298.5002 -162167.9745 -109866.7969 298.0924 116.1845 139.4523 761185.8096 -8.2264 -8.3325 PRESSURE: 877600 12.8991 -150.123 1.05501 -150.123 -194.246 -127.08 1.0555 -127.08 -220.753 GPRESSURE: 877600 82.4349 -164.724 104.835 -155.391 -170.76 -124.564 -10.8415 -208.033 -235.615 PRESSAVG: 877600 -9.59587 -31.6968 19.59 -31.6968 -32.396 -8.92031 19.59 -8.9203 -23.2204 GPRESSAVG: 877600 -6.94198 -32.8862 19.1866 -32.3131 -33.5996 -10.4439 22.2493 -7.4187 -24.1263 TIMING: 877600 CPU: 2835.15, 0.00316555/step Wall: 2835.15, 0.00316555/step, 3.6249 hours remaining, 231.007812 MB of memory in use. ENERGY: 877600 3915.6734 20559.5720 14461.4887 259.6441 -202968.6694 2069.5551 0.0000 0.0000 52000.1001 -109702.6360 298.8453 -161702.7361 -109340.9727 298.7068 -134.0332 -107.9801 760844.1316 -21.7374 -21.5559 PRESSURE: 877800 76.476 -34.8213 100.805 -34.8219 352.586 -211.101 100.805 -211.101 253.359 GPRESSURE: 877800 78.1749 23.4339 66.0729 -27.7453 291.663 -165.038 122.78 -151.038 405.798 PRESSAVG: 877800 -26.7454 -44.1167 11.6053 -44.1167 -9.63813 -22.6253 11.6053 -22.6253 -11.9584 GPRESSAVG: 877800 -28.9012 -45.529 12.4622 -44.7348 -8.48139 -21.1555 10.0814 -23.28 -11.0895 TIMING: 877800 CPU: 2835.78, 0.00316379/step Wall: 2835.78, 0.00316379/step, 3.62271 hours remaining, 231.007812 MB of memory in use. ENERGY: 877800 3885.8169 20480.2469 14557.6645 251.8719 -203165.2003 2426.7219 0.0000 0.0000 52046.0566 -109516.8216 299.1094 -161562.8782 -109148.7997 299.2313 227.4737 258.5455 760007.0496 -16.1140 -16.1574 PRESSURE: 878000 -238.884 130.905 -124.207 130.905 -262.351 116.199 -124.207 116.199 -556.037 GPRESSURE: 878000 -157.765 82.3672 -107.977 134.305 -265.946 213.483 -300.962 54.1526 -561.023 PRESSAVG: 878000 16.6189 -34.1278 -37.9537 -34.1279 -39.3369 41.4483 -37.9536 41.4483 1.21639 GPRESSAVG: 878000 17.1051 -31.2907 -39.9724 -33.8174 -40.0195 39.2949 -34.9738 39.0073 1.534 TIMING: 878000 CPU: 2836.41, 0.00316276/step Wall: 2836.41, 0.00316276/step, 3.62136 hours remaining, 231.007812 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: 878000 4036.8450 20652.0805 14509.9984 239.8344 -203156.2313 2289.9616 0.0000 0.0000 51921.2387 -109506.2727 298.3921 -161427.5114 -109149.1157 299.4827 -352.4241 -328.2447 762509.1352 -7.1672 -7.1268 PRESSURE: 878200 214.817 -73.6384 85.6314 -73.6376 194.819 -299.663 85.6314 -299.661 116.735 GPRESSURE: 878200 252.365 -86.2713 73.488 -115.142 184.333 -291.102 -2.41285 -265.165 165.904 PRESSAVG: 878200 -21.7514 -6.28745 -55.6858 -6.28737 18.7451 4.61245 -55.6858 4.61239 12.332 GPRESSAVG: 878200 -23.3334 -6.6411 -54.449 -7.98711 18.6554 6.97867 -59.4114 6.4985 12.8676 TIMING: 878200 CPU: 2837.04, 0.00315043/step Wall: 2837.04, 0.00315043/step, 3.60707 hours remaining, 231.007812 MB of memory in use. ENERGY: 878200 3918.5470 20474.0653 14526.6160 232.1012 -203454.3326 2557.0983 0.0000 0.0000 52183.1375 -109562.7675 299.8972 -161745.9050 -109193.4059 299.5695 175.4570 200.8674 760607.2349 3.1086 2.7299 PRESSURE: 878400 -404.44 -41.2134 -101.014 -41.2141 -67.9025 -83.4185 -101.014 -83.4179 454.534 GPRESSURE: 878400 -300.917 -85.5612 -58.3549 -90.7044 -63.2218 -41.6885 73.0895 -142.289 431.33 PRESSAVG: 878400 -17.8745 -37.4306 -60.9326 -37.4306 -2.62889 24.602 -60.9326 24.602 11.6191 GPRESSAVG: 878400 -17.865 -40.394 -61.9009 -35.4771 -1.53492 24.0304 -58.2921 24.7778 10.8682 TIMING: 878400 CPU: 2837.67, 0.00314069/step Wall: 2837.67, 0.00314069/step, 3.59575 hours remaining, 231.007812 MB of memory in use. ENERGY: 878400 3983.6429 20618.1149 14553.8971 236.0478 -203096.2743 2252.9570 0.0000 0.0000 51802.6461 -109648.9685 297.7105 -161451.6146 -109291.2500 299.4822 -5.9362 22.3970 761209.0013 -2.9614 -2.8439 PRESSURE: 878600 -638.53 -117.849 -71.4349 -117.848 4.11154 -183.43 -71.4353 -183.43 77.755 GPRESSURE: 878600 -500.135 -149.474 -0.400401 -124.195 -3.63298 -251.833 -70.3065 -79.5862 25.6004 PRESSAVG: 878600 -39.7953 -52.66 9.72311 -52.6599 0.452133 7.4814 9.72309 7.48142 -0.641573 GPRESSAVG: 878600 -38.2185 -51.3509 9.96341 -52.21 -1.22957 8.37948 10.3827 7.3244 -0.378953 TIMING: 878600 CPU: 2838.3, 0.00316661/step Wall: 2838.3, 0.00316661/step, 3.62524 hours remaining, 231.007812 MB of memory in use. ENERGY: 878600 3991.5542 20427.3469 14431.6681 259.5858 -203458.5561 2444.0278 0.0000 0.0000 52110.0381 -109794.3353 299.4771 -161904.3734 -109434.4540 298.9617 -185.5544 -159.3890 761870.0306 -13.3282 -13.2757 PRESSURE: 878800 340.938 213.962 -110.883 213.961 273.065 72.3814 -110.882 72.3816 106.886 GPRESSURE: 878800 378.252 192.335 -107.081 51.538 296.855 56.5768 -42.9467 86.0346 145.731 PRESSAVG: 878800 -51.8915 -23.5492 -79.6228 -23.5492 29.6804 77.1416 -79.6228 77.1416 -12.4433 GPRESSAVG: 878800 -51.887 -23.8685 -78.6751 -23.8391 30.5936 74.9409 -79.1626 76.847 -13.4051 TIMING: 878800 CPU: 2838.93, 0.00315391/step Wall: 2838.93, 0.00315391/step, 3.61053 hours remaining, 231.007812 MB of memory in use. ENERGY: 878800 3936.1789 20540.3400 14535.2089 234.2940 -203880.6555 2848.6501 0.0000 0.0000 51970.5881 -109815.3955 298.6757 -161785.9836 -109458.8750 298.8147 240.2966 273.6127 760576.3256 -11.5515 -11.5662 PRESSURE: 879000 -131.292 27.2986 -80.8701 27.2979 -81.7801 -25.2303 -80.8698 -25.2293 411.321 GPRESSURE: 879000 -41.1287 -67.0478 -102.421 -15.2937 0.414538 -42.845 -129.096 27.9942 328.014 PRESSAVG: 879000 -9.18003 -28.8026 -0.0853155 -28.8026 -38.7967 40.3087 -0.085297 40.3086 -15.3623 GPRESSAVG: 879000 -8.23737 -28.9033 -0.369935 -26.8007 -40.5354 41.0022 -2.43008 41.3545 -14.4427 TIMING: 879000 CPU: 2839.57, 0.00316611/step Wall: 2839.57, 0.0031661/step, 3.62431 hours remaining, 231.007812 MB of memory in use. ENERGY: 879000 3930.2919 20506.9818 14470.0512 247.2528 -203541.2989 2492.7797 0.0000 0.0000 52201.5874 -109692.3541 300.0032 -161893.9415 -109320.9821 299.0009 66.0829 95.7667 759581.1697 -21.1130 -21.0718 PRESSURE: 879200 147.645 -167.436 -57.4805 -167.436 -321.085 93.8543 -57.4806 93.8547 348.543 GPRESSURE: 879200 96.5339 -189.541 -47.7747 -139.308 -167.135 174.339 -61.7078 109.959 336.033 PRESSAVG: 879200 -24.8478 -56.827 -58.2707 -56.827 40.8233 70.9599 -58.2706 70.9599 4.05623 GPRESSAVG: 879200 -26.6955 -56.3917 -58.3428 -58.0675 42.6248 70.9681 -56.0004 72.4804 3.70067 TIMING: 879200 CPU: 2840.21, 0.00319638/step Wall: 2840.21, 0.00319638/step, 3.65879 hours remaining, 231.007812 MB of memory in use. ENERGY: 879200 3969.2401 20587.9859 14571.7872 235.1383 -203323.5751 2318.7256 0.0000 0.0000 51921.5350 -109719.1631 298.3938 -161640.6981 -109352.2970 298.8558 58.3674 88.4771 760813.7667 6.6772 6.5433 PRESSURE: 879400 13.8034 -107.165 46.0509 -107.165 270.871 40.0902 46.0516 40.0908 158.379 GPRESSURE: 879400 60.4409 -90.9924 19.915 -44.1048 240.05 -7.06099 60.5116 45.7007 236.799 PRESSAVG: 879400 -66.7569 -65.4393 -58.5821 -65.4393 53.5328 8.5397 -58.5822 8.53968 4.3926 GPRESSAVG: 879400 -66.2617 -65.1994 -58.8264 -66.8901 51.8748 8.32055 -58.9811 8.17853 5.21564 TIMING: 879400 CPU: 2840.84, 0.00316816/step Wall: 2840.84, 0.00316816/step, 3.62631 hours remaining, 231.007812 MB of memory in use. ENERGY: 879400 4042.3690 20591.8179 14487.5508 245.9229 -203565.0840 2637.1797 0.0000 0.0000 51807.5194 -109752.7243 297.7385 -161560.2437 -109394.1404 298.7472 147.6843 179.0964 760951.7155 -2.9438 -3.0571 PRESSURE: 879600 3.28781 36.2882 -53.4644 36.2891 -137.22 -47.1708 -53.4647 -47.1705 -99.6677 GPRESSURE: 879600 68.4262 -66.4315 -36.8317 64.6023 -92.9009 13.8516 57.8551 -23.0473 -139.62 PRESSAVG: 879600 21.6562 -16.5615 34.4056 -16.5614 -7.74722 24.028 34.4055 24.028 -7.56817 GPRESSAVG: 879600 21.5244 -17.3394 35.5593 -13.3818 -6.66051 25.3148 33.1221 25.259 -8.54568 TIMING: 879600 CPU: 2841.47, 0.00314797/step Wall: 2841.47, 0.00314797/step, 3.60303 hours remaining, 231.007812 MB of memory in use. ENERGY: 879600 3941.5821 20685.3573 14460.3960 235.3788 -203667.5245 2582.0262 0.0000 0.0000 51885.3906 -109877.3935 298.1861 -161762.7841 -109523.2849 298.7242 -77.8666 -54.6983 760153.0115 2.1136 2.1061 PRESSURE: 879800 -314.978 -94.5857 138.806 -94.5859 -56.7281 9.85305 138.806 9.85382 376.132 GPRESSURE: 879800 -280.916 -141.768 176.193 85.7778 8.76925 -15.3883 167.204 116.842 361.729 PRESSAVG: 879800 -51.5593 -92.4833 0.652766 -92.4833 19.6646 13.3335 0.652787 13.3335 4.8467 GPRESSAVG: 879800 -51.5555 -90.5125 0.301143 -94.635 20.0846 12.0852 2.31376 12.7537 4.34099 TIMING: 879800 CPU: 2842.09, 0.00312011/step Wall: 2842.09, 0.00312011/step, 3.57097 hours remaining, 231.007812 MB of memory in use. ENERGY: 879800 3980.9819 20617.6853 14527.7394 255.6972 -203701.5497 2577.4667 0.0000 0.0000 52099.3973 -109642.5819 299.4160 -161741.9793 -109281.1996 299.1381 1.4751 29.8605 760254.9603 -9.0160 -9.0433 PRESSURE: 880000 -47.3374 158.258 -196.199 158.258 -318.24 229.989 -196.199 229.989 217.521 GPRESSURE: 880000 45.3699 109.295 -177.387 135.247 -307.928 291.457 -83.4015 144.32 199.396 PRESSAVG: 880000 -5.79861 -49.3781 -23.437 -49.3781 44.8009 -20.6749 -23.4369 -20.6748 -0.689606 GPRESSAVG: 880000 -5.74363 -50.0247 -24.2388 -50.1998 45.3244 -21.2814 -22.6405 -21.077 -0.779826 TIMING: 880000 CPU: 2842.72, 0.00315026/step Wall: 2842.72, 0.00315026/step, 3.6053 hours remaining, 231.007812 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: 880000 4031.8442 20498.2442 14541.2520 249.5808 -203610.7102 2599.8235 0.0000 0.0000 52137.6035 -109552.3619 299.6355 -161689.9654 -109191.1009 299.4144 -49.3524 -21.0542 761419.1922 12.7709 12.9337 PRESSURE: 880200 304.409 -64.1061 -6.98578 -64.1072 346.982 -187.101 -6.98511 -187.101 -276.725 GPRESSURE: 880200 412.7 -64.5104 11.0666 -74.1103 287.408 -277.253 5.78317 -178.163 -235.632 PRESSAVG: 880200 9.39921 -31.0795 63.497 -31.0795 -16.2748 64.8986 63.497 64.8986 -8.72582 GPRESSAVG: 880200 9.48514 -32.8344 63.7001 -30.3137 -16.3376 64.4587 61.061 65.4911 -8.06673 TIMING: 880200 CPU: 2843.35, 0.00313343/step Wall: 2843.35, 0.00313343/step, 3.58586 hours remaining, 231.007812 MB of memory in use. ENERGY: 880200 3956.5087 20480.2165 14540.6413 243.4849 -203540.1224 2620.5359 0.0000 0.0000 51885.8031 -109812.9320 298.1884 -161698.7351 -109447.8427 298.8563 124.8889 154.8257 759334.6360 -5.2005 -4.9731 LDB: ============= START OF LOAD BALANCING ============== 2855.77 LDB: ============== END OF LOAD BALANCING =============== 2855.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2855.77 LDB: ============= START OF LOAD BALANCING ============== 2856.08 LDB: Largest compute 7075 load 0.037315 is 19.1% of average load 0.195599 LDB: Average compute 0.004388 is 2.2% of average load 0.195599 LDB: TIME 2856.09 LOAD: AVG 0.195599 MAX 0.21778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 2856.09 LOAD: AVG 0.195599 MAX 0.21778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: TIME 2856.09 LOAD: AVG 0.195599 MAX 0.21778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.422 MB LDB: ============== END OF LOAD BALANCING =============== 2856.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2856.1 PRESSURE: 880400 -548.144 -104.556 94.5851 -104.556 -46.8774 -15.6396 94.5852 -15.6391 357.118 GPRESSURE: 880400 -466.328 -226.608 33.5708 -95.0794 -40.8248 -66.3315 50.2935 -37.835 338.808 PRESSAVG: 880400 10.9877 -54.7251 -7.73874 -54.7251 13.6035 33.0981 -7.7387 33.0981 -11.5316 GPRESSAVG: 880400 12.3069 -52.1876 -7.85449 -55.0818 12.9488 34.0597 -7.05959 32.2198 -11.8364 TIMING: 880400 CPU: 2843.99, 0.0031998/step Wall: 2843.99, 0.00319979/step, 3.66163 hours remaining, 230.816406 MB of memory in use. ENERGY: 880400 4008.8941 20514.5019 14613.4692 222.8224 -203813.6598 2501.9813 0.0000 0.0000 52114.2821 -109837.7089 299.5015 -161951.9910 -109487.4320 298.9545 -79.3012 -56.1148 761051.9321 4.3532 4.4731 PRESSURE: 880600 102.089 85.4389 -57.1363 85.439 -162.142 -83.3349 -57.1358 -83.336 164.493 GPRESSURE: 880600 167.325 77.231 -22.0499 156.735 -120.277 -153.18 -6.23421 -177.352 134.834 PRESSAVG: 880600 45.1416 -92.4343 -13.7155 -92.4343 -16.9618 0.576321 -13.7155 0.576341 4.02152 GPRESSAVG: 880600 45.443 -95.573 -13.8918 -89.4625 -16.9446 -1.00921 -11.9877 1.75577 3.74744 TIMING: 880600 CPU: 2844.61, 0.00312506/step Wall: 2844.61, 0.00312506/step, 3.57593 hours remaining, 230.816406 MB of memory in use. ENERGY: 880600 3931.8710 20565.1148 14551.3144 245.4558 -204007.0968 2617.4402 0.0000 0.0000 52202.3897 -109893.5109 300.0079 -162095.9006 -109520.4267 299.0514 34.8132 60.6273 761808.9841 10.7338 10.7486 PRESSURE: 880800 -178.197 45.6054 -142.47 45.6057 -59.9666 44.9651 -142.468 44.9639 -7.90868 GPRESSURE: 880800 -179.639 -43.992 -186.758 -75.569 -6.71512 92.4343 -61.1877 80.454 1.2658 PRESSAVG: 880800 1.1871 -31.3699 18.2922 -31.3699 7.30263 26.9222 18.2922 26.9221 -1.29492 GPRESSAVG: 880800 1.77857 -28.6577 18.2212 -31.2418 7.08181 28.6036 17.9221 26.788 -1.70163 TIMING: 880800 CPU: 2845.24, 0.00314803/step Wall: 2845.24, 0.00314803/step, 3.60205 hours remaining, 230.816406 MB of memory in use. ENERGY: 880800 3995.8916 20563.4276 14580.1867 257.3428 -203635.2241 2580.0538 0.0000 0.0000 51872.5533 -109785.7683 298.1123 -161658.3216 -109429.7421 298.6817 -82.0241 -61.6962 760602.5855 2.3983 2.3862 PRESSURE: 881000 80.2699 -151.226 -64.2947 -151.225 -53.6722 -69.6519 -64.2948 -69.6522 407.301 GPRESSURE: 881000 114.129 -116.191 -33.4599 -16.3955 4.75948 -1.33531 -108.977 -8.95435 409.086 PRESSAVG: 881000 -17.9756 -32.1843 -1.97639 -32.1843 34.8053 -2.27062 -1.97641 -2.27067 -9.63488 GPRESSAVG: 881000 -18.8824 -33.3601 -2.06157 -32.0945 35.1269 -2.93993 -2.49375 -3.22066 -8.69523 TIMING: 881000 CPU: 2845.87, 0.00314092/step Wall: 2845.87, 0.00314092/step, 3.59374 hours remaining, 231.019531 MB of memory in use. ENERGY: 881000 3936.6041 20335.1956 14625.4910 251.9723 -203767.2165 2773.1067 0.0000 0.0000 52120.8112 -109724.0355 299.5390 -161844.8467 -109365.7711 298.6085 144.6328 175.9918 760258.4897 2.3983 2.5164 PRESSURE: 881200 -96.8581 -98.1574 -173.125 -98.1572 -87.0544 107.717 -173.125 107.717 -254.235 GPRESSURE: 881200 -27.7785 -60.0229 -187.477 -224.133 29.0264 90.7651 -155.06 161.843 -344.503 PRESSAVG: 881200 -7.47623 -41.4719 -19.8157 -41.4719 -8.70165 45.3753 -19.8157 45.3753 43.1506 GPRESSAVG: 881200 -8.20136 -40.1859 -18.635 -43.5944 -7.4096 44.1123 -20.0826 46.033 42.3409 TIMING: 881200 CPU: 2846.5, 0.00313746/step Wall: 2846.5, 0.00313746/step, 3.58961 hours remaining, 231.019531 MB of memory in use. ENERGY: 881200 4033.7618 20517.8585 14563.2197 246.0086 -203816.1865 2766.6887 0.0000 0.0000 51821.2346 -109867.4146 297.8173 -161688.6492 -109521.6181 298.9164 -146.0490 -114.4182 759905.6504 8.9909 8.9100 PRESSURE: 881400 -506.844 160.862 -114.535 160.863 -315.829 11.3553 -114.534 11.356 354.906 GPRESSURE: 881400 -408.334 87.3372 -95.492 101.499 -302.053 -42.0377 -120.139 -40.6058 350.353 PRESSAVG: 881400 -26.2131 -60.4821 -20.7869 -60.4821 47.4946 36.2196 -20.7869 36.2196 -23.8397 GPRESSAVG: 881400 -24.3109 -60.4188 -19.6076 -59.5043 46.331 37.1307 -21.6754 36.6257 -24.2175 TIMING: 881400 CPU: 2847.13, 0.00315829/step Wall: 2847.13, 0.00315829/step, 3.61326 hours remaining, 231.019531 MB of memory in use. ENERGY: 881400 4016.5868 20496.0196 14446.5011 253.5686 -203645.4005 2677.2343 0.0000 0.0000 51867.1244 -109888.3657 298.0811 -161755.4900 -109534.6475 298.2962 -155.9223 -120.0112 761369.8886 -0.8527 -0.7324 PRESSURE: 881600 -35.5589 -201.759 -28.0462 -201.759 128.769 51.6725 -28.0458 51.6734 68.2232 GPRESSURE: 881600 99.7467 -243.639 -1.0918 -214.563 72.8469 72.9609 86.6418 -66.0415 82.3038 PRESSAVG: 881600 19.5988 -18.1218 -3.79838 -18.1218 -44.9243 59.3015 -3.79835 59.3016 7.15621 GPRESSAVG: 881600 19.0734 -19.4608 -5.11029 -16.5722 -45.3095 59.7001 -1.00639 56.8884 7.89076 TIMING: 881600 CPU: 2847.76, 0.00315006/step Wall: 2847.76, 0.00315006/step, 3.60367 hours remaining, 231.019531 MB of memory in use. ENERGY: 881600 4043.9155 20340.7321 14482.9056 254.1875 -203791.6609 2640.2459 0.0000 0.0000 51986.5381 -110043.1362 298.7673 -162029.6743 -109686.9963 298.3103 53.8110 84.9658 759216.4146 -6.0564 -6.1151 PRESSURE: 881800 -55.8173 -167.456 -94.4282 -167.456 -182.669 31.4096 -94.4281 31.4109 -93.7675 GPRESSURE: 881800 29.1151 -131.833 -25.6898 -207.211 -141.755 66.4589 -130.061 55.2542 -139.398 PRESSAVG: 881800 16.5741 -87.1914 27.8343 -87.1915 13.2249 21.8704 27.8343 21.8704 -0.771668 GPRESSAVG: 881800 16.068 -86.2848 28.7736 -87.46 13.993 21.2916 26.4552 24.3837 -0.491523 TIMING: 881800 CPU: 2848.39, 0.00314541/step Wall: 2848.39, 0.00314541/step, 3.59817 hours remaining, 231.019531 MB of memory in use. ENERGY: 881800 4000.9822 20281.1033 14436.7284 243.4009 -203705.6753 2572.1143 0.0000 0.0000 52027.6530 -110143.6932 299.0036 -162171.3462 -109772.6102 298.1887 -110.7514 -84.0124 759778.7671 9.6758 9.8565 PRESSURE: 882000 -6.85222 -48.6349 -5.09576 -48.6344 173.972 83.0918 -5.09511 83.0915 4.02184 GPRESSURE: 882000 -29.7656 -193.752 -8.10322 70.3184 240.81 66.4618 -99.9039 53.6618 37.7416 PRESSAVG: 882000 -25.9168 -26.6019 15.6418 -26.6019 6.81384 -5.99952 15.6417 -5.99946 28.6265 GPRESSAVG: 882000 -26.4619 -26.9062 13.1265 -27.6168 7.22882 -5.13598 16.2388 -7.58956 28.8118 TIMING: 882000 CPU: 2849.02, 0.00313734/step Wall: 2849.02, 0.00313734/step, 3.58877 hours remaining, 231.019531 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: 882000 3922.4794 20383.8743 14410.2378 240.5447 -204015.1984 2797.3714 0.0000 0.0000 51856.2930 -110404.3978 298.0188 -162260.6908 -110053.4946 298.1494 57.0473 82.9287 759523.7280 3.1745 3.1929 PRESSURE: 882200 241.981 -20.3076 -239.946 -20.3086 329.854 -169.673 -239.946 -169.672 90.1013 GPRESSURE: 882200 256.081 31.8254 -211.159 -30.5498 350.035 -162.888 -6.47862 60.3474 136.199 PRESSAVG: 882200 16.2133 -46.2605 -23.5769 -46.2605 2.1589 0.364279 -23.5769 0.364236 -11.1537 GPRESSAVG: 882200 15.4568 -46.1322 -22.7983 -47.0256 2.11577 1.40974 -22.6503 0.755921 -10.1756 TIMING: 882200 CPU: 2849.65, 0.00314679/step Wall: 2849.65, 0.00314679/step, 3.5994 hours remaining, 231.019531 MB of memory in use. ENERGY: 882200 3867.3427 20343.2471 14532.1243 238.0330 -203847.3135 2765.5842 0.0000 0.0000 51901.6213 -110199.3609 298.2793 -162100.9822 -109853.3272 297.7446 220.6455 247.4383 760176.3871 2.4062 2.4656 PRESSURE: 882400 -288.393 -42.0108 9.1138 -42.0117 -612.63 313.553 9.1133 313.554 -151.545 GPRESSURE: 882400 -303.827 -69.5144 16.5879 -24.5842 -538.878 462.808 24.9595 142.587 -123.758 PRESSAVG: 882400 22.904 -31.116 -25.1175 -31.116 -33.1731 -2.9983 -25.1175 -2.9982 12.0837 GPRESSAVG: 882400 23.6424 -31.4659 -25.4012 -30.5286 -33.1729 -2.35819 -27.5247 -4.64385 11.4136 TIMING: 882400 CPU: 2850.28, 0.00313791/step Wall: 2850.28, 0.00313791/step, 3.58908 hours remaining, 231.019531 MB of memory in use. ENERGY: 882400 3974.9264 20397.3176 14415.0203 237.2945 -203862.2097 2635.0272 0.0000 0.0000 51940.7547 -110261.8689 298.5042 -162202.6237 -109904.8017 297.8866 -350.8559 -322.1544 760216.1923 0.6049 0.6277 PRESSURE: 882600 -71.3658 -113.862 18.5813 -113.861 -521.371 126.84 18.5812 126.841 58.7243 GPRESSURE: 882600 -106.523 -158.933 -13.6417 -197.663 -453.363 27.46 40.9847 85.6021 111.327 PRESSAVG: 882600 -22.0128 -31.6993 -8.02199 -31.6993 24.4933 53.4663 -8.02201 53.4663 13.5569 GPRESSAVG: 882600 -22.3261 -32.0715 -7.11645 -32.4226 24.4321 50.534 -7.98609 54.3447 14.5944 TIMING: 882600 CPU: 2850.9, 0.00313518/step Wall: 2850.9, 0.00313518/step, 3.58577 hours remaining, 231.019531 MB of memory in use. ENERGY: 882600 3988.1972 20451.0040 14445.2639 244.1740 -203251.6924 2269.4038 0.0000 0.0000 51828.8439 -110024.8056 297.8611 -161853.6495 -109668.6688 298.2571 -178.0041 -149.5199 761129.0175 5.3458 5.5668 PRESSURE: 882800 30.5709 25.9462 43.7888 25.9471 134.504 -27.1668 43.7892 -27.1679 622.925 GPRESSURE: 882800 154.753 70.5109 0.909799 122.63 154.393 -156.961 -68.2076 -41.3803 546.364 PRESSAVG: 882800 0.187822 11.4209 -8.05603 11.4209 -12.1333 19.7888 -8.0561 19.7887 8.73858 GPRESSAVG: 882800 0.57986 10.6472 -8.55278 13.4544 -11.6246 19.6767 -8.87924 17.3696 7.90253 TIMING: 882800 CPU: 2851.53, 0.0031404/step Wall: 2851.53, 0.0031404/step, 3.59157 hours remaining, 231.019531 MB of memory in use. ENERGY: 882800 3940.8720 20483.4750 14439.7479 231.7587 -203940.9159 2878.7343 0.0000 0.0000 52051.1016 -109915.2264 299.1384 -161966.3280 -109558.7687 298.1130 262.6666 285.1703 760881.8679 -1.0690 -1.0474 PRESSURE: 883000 -141.396 -36.3946 -120.183 -36.3941 135.833 -109.484 -120.182 -109.484 -201.356 GPRESSURE: 883000 -167.893 -78.5289 -88.6226 24.6195 215.515 -83.988 56.8673 10.7272 -168.118 PRESSAVG: 883000 30.704 -14.4985 4.70959 -14.4985 -54.4059 2.26858 4.70957 2.26855 -2.72168 GPRESSAVG: 883000 30.4627 -12.6461 5.17273 -14.97 -54.1896 3.43847 6.31755 4.48208 -3.14551 TIMING: 883000 CPU: 2852.16, 0.00316651/step Wall: 2852.16, 0.00316651/step, 3.62126 hours remaining, 231.019531 MB of memory in use. ENERGY: 883000 4049.3950 20434.5434 14438.2782 242.9635 -203203.2369 2306.8756 0.0000 0.0000 51767.5234 -109963.6577 297.5087 -161731.1811 -109601.2319 298.8094 -68.9729 -40.1653 760670.9621 -8.8079 -8.9575 PRESSURE: 883200 244.851 -52.5501 -91.269 -52.5506 -51.3075 -88.5562 -91.2698 -88.557 147.532 GPRESSURE: 883200 304.115 -50.2972 -31.0151 -48.8695 -160.129 -42.153 -18.2746 24.1726 272.607 PRESSAVG: 883200 69.2493 -67.876 -6.25258 -67.8761 -59.5154 -31.1736 -6.25252 -31.1736 6.03047 GPRESSAVG: 883200 69.5703 -67.5901 -6.58793 -67.9226 -60.326 -32.1156 -6.2899 -29.2194 6.32116 TIMING: 883200 CPU: 2852.8, 0.00316291/step Wall: 2852.8, 0.00316291/step, 3.61697 hours remaining, 231.019531 MB of memory in use. ENERGY: 883200 3899.4404 20417.7275 14443.4482 233.2126 -203215.6788 2571.3780 0.0000 0.0000 51732.4198 -109918.0522 297.3069 -161650.4720 -109559.5421 298.4486 113.6919 138.8642 760911.2392 5.2548 5.1885 PRESSURE: 883400 478.255 -206.994 28.4136 -206.994 118.057 -14.5992 28.4138 -14.599 488.418 GPRESSURE: 883400 469.637 -144.317 3.32254 -144.184 216.931 89.9445 65.9646 -56.8187 496.366 PRESSAVG: 883400 -4.88924 -41.9285 -9.13958 -41.9285 -56.9792 -14.7253 -9.13963 -14.7252 44.9735 GPRESSAVG: 883400 -4.37359 -43.5333 -7.573 -40.3127 -57.4612 -12.1154 -10.6426 -17.3807 45.3077 TIMING: 883400 CPU: 2853.43, 0.00316414/step Wall: 2853.43, 0.00316414/step, 3.61819 hours remaining, 231.019531 MB of memory in use. ENERGY: 883400 3914.8577 20514.2639 14422.9837 237.5199 -203524.6431 2942.7197 0.0000 0.0000 51452.2753 -110040.0229 295.6969 -161492.2982 -109673.8273 297.8224 361.5765 394.3116 759931.4590 -5.6316 -5.5090 PRESSURE: 883600 -33.1433 -81.8456 -66.888 -81.8456 127.631 -181.38 -66.8877 -181.38 202.577 GPRESSURE: 883600 44.4357 -98.8077 -75.1325 -55.9289 153.611 -88.5519 6.36334 -230.445 181.822 PRESSAVG: 883600 78.761 -98.0015 -28.9381 -98.0014 -78.5923 40.2598 -28.9381 40.2599 22.3691 GPRESSAVG: 883600 78.2932 -98.5799 -31.2496 -97.423 -75.6509 37.7734 -28.1455 40.0759 20.2107 TIMING: 883600 CPU: 2854.06, 0.00316645/step Wall: 2854.06, 0.00316645/step, 3.62066 hours remaining, 231.019531 MB of memory in use. ENERGY: 883600 4027.4939 20379.2754 14531.6690 256.3933 -203493.4688 2443.0272 0.0000 0.0000 51869.4351 -109986.1750 298.0944 -161855.6101 -109632.0434 297.6180 99.0218 126.6228 759454.8709 7.5126 7.6177 PRESSURE: 883800 -205.093 85.5283 -28.5917 85.529 -62.7044 -82.968 -28.5915 -82.9691 264.826 GPRESSURE: 883800 -133.091 152.63 -98.2946 9.31112 -3.61747 -32.3779 -14.6789 -39.0753 213.945 PRESSAVG: 883800 45.2617 -37.9571 -52.5646 -37.9572 17.6239 7.37537 -52.5646 7.37529 6.56584 GPRESSAVG: 883800 45.1779 -35.7978 -53.5501 -41.689 15.917 9.6724 -51.032 6.3346 8.41339 TIMING: 883800 CPU: 2854.7, 0.00316419/step Wall: 2854.7, 0.00316419/step, 3.6179 hours remaining, 231.019531 MB of memory in use. ENERGY: 883800 3978.5131 20349.1803 14386.2968 257.3708 -203452.7034 2582.1646 0.0000 0.0000 52016.4629 -109882.7150 298.9393 -161899.1778 -109521.3613 298.4328 -0.9902 25.7456 760996.8836 23.1505 23.1694 PRESSURE: 884000 348.185 152.345 -60.2815 152.345 -85.3672 19.4066 -60.2814 19.4083 314.007 GPRESSURE: 884000 326.839 211.208 46.0826 23.5153 -5.66639 4.08599 -152.083 -49.23 340.084 PRESSAVG: 884000 59.4487 -61.6709 -62.0066 -61.6708 -95.0002 9.91843 -62.0066 9.9185 -4.89929 GPRESSAVG: 884000 57.9421 -61.5734 -60.5002 -60.0528 -94.4045 8.37326 -62.4558 12.9572 -3.44315 TIMING: 884000 CPU: 2855.33, 0.00317846/step Wall: 2855.33, 0.00317846/step, 3.63404 hours remaining, 231.019531 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: 884000 3879.6374 20412.1436 14464.8403 252.8167 -203268.2048 2503.7337 0.0000 0.0000 52096.2906 -109658.7424 299.3981 -161755.0330 -109300.3524 298.6467 192.2750 220.4188 759749.7001 -13.4836 -13.3019 PRESSURE: 884200 255.89 26.3451 35.8169 26.3443 330.899 -31.9658 35.817 -31.9663 180.096 GPRESSURE: 884200 302.655 -15.2129 33.1491 -31.4742 375.649 -12.358 -64.5379 -29.3751 172.915 PRESSAVG: 884200 12.7114 -79.8971 -36.4344 -79.8971 2.85917 17.6289 -36.4343 17.6289 19.1439 GPRESSAVG: 884200 13.9781 -80.4405 -35.9923 -81.6134 2.41664 17.1027 -38.126 16.2472 18.3827 TIMING: 884200 CPU: 2855.96, 0.00316962/step Wall: 2855.96, 0.00316962/step, 3.62376 hours remaining, 231.019531 MB of memory in use. ENERGY: 884200 3949.4259 20462.9523 14469.8246 246.6270 -203584.9619 2773.6031 0.0000 0.0000 51982.4017 -109700.1273 298.7436 -161682.5290 -109346.2647 298.9204 255.6285 283.7395 758277.1481 11.5715 11.5925 LDB: ============= START OF LOAD BALANCING ============== 2868.39 LDB: ============== END OF LOAD BALANCING =============== 2868.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2868.39 LDB: ============= START OF LOAD BALANCING ============== 2868.7 LDB: Largest compute 7075 load 0.036548 is 18.7% of average load 0.195532 LDB: Average compute 0.004391 is 2.2% of average load 0.195532 LDB: TIME 2868.71 LOAD: AVG 0.195532 MAX 0.219733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.07 MB LDB: TIME 2868.71 LOAD: AVG 0.195532 MAX 0.219733 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: TIME 2868.71 LOAD: AVG 0.195532 MAX 0.216702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: ============== END OF LOAD BALANCING =============== 2868.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2868.71 PRESSURE: 884400 172.015 -241.16 103.523 -241.161 177.067 206.241 103.523 206.239 401.022 GPRESSURE: 884400 186.767 -163.54 63.0901 -113.704 354.342 198.622 170.021 149.74 332.309 PRESSAVG: 884400 -7.05062 -81.4176 -12.3239 -81.4176 19.8223 7.35393 -12.3239 7.35393 7.1847 GPRESSAVG: 884400 -6.86781 -80.5319 -12.3698 -80.1781 19.506 8.70177 -11.0086 3.98057 6.79751 TIMING: 884400 CPU: 2856.61, 0.00321689/step Wall: 2856.61, 0.00321689/step, 3.67762 hours remaining, 230.875000 MB of memory in use. ENERGY: 884400 4066.9232 20430.3053 14469.8680 271.8300 -203975.7131 3061.0799 0.0000 0.0000 51894.1720 -109781.5348 298.2365 -161675.7068 -109423.1754 298.9829 250.0346 291.1392 759750.6830 6.6521 6.4786 PRESSURE: 884600 189.646 -193.489 102.498 -193.489 251.148 13.1932 102.498 13.1927 -124.778 GPRESSURE: 884600 251.097 -82.7924 18.1164 -109.443 195.596 64.7821 120.626 -44.6139 -58.08 PRESSAVG: 884600 30.8945 -50.2137 11.1321 -50.2138 17.9622 5.84354 11.1321 5.84352 -1.9381 GPRESSAVG: 884600 30.8205 -51.3107 10.1632 -49.5427 17.1921 4.96332 11.9973 8.11543 -1.77431 TIMING: 884600 CPU: 2857.24, 0.00314562/step Wall: 2857.24, 0.00314562/step, 3.59597 hours remaining, 230.875000 MB of memory in use. ENERGY: 884600 4030.1670 20579.0291 14468.0799 238.8882 -203906.1195 2923.8461 0.0000 0.0000 52105.4853 -109560.6240 299.4509 -161666.1093 -109201.4659 298.8946 105.3386 129.5378 757987.1019 15.6395 15.4128 PRESSURE: 884800 -111.662 -277.446 159.159 -277.446 98.5974 -6.2974 159.159 -6.29755 398.488 GPRESSURE: 884800 -65.4084 -153.315 98.7752 -144.315 163.181 22.3962 121.654 51.9933 386.768 PRESSAVG: 884800 -13.7737 -97.7035 23.5354 -97.7035 20.6491 -6.15542 23.5355 -6.15541 9.94821 GPRESSAVG: 884800 -12.8407 -96.7753 23.9851 -98.6451 21.2279 -6.32474 24.0581 -5.41781 8.86917 TIMING: 884800 CPU: 2857.87, 0.00315702/step Wall: 2857.87, 0.00315702/step, 3.60882 hours remaining, 230.875000 MB of memory in use. ENERGY: 884800 3939.6156 20499.5326 14527.4116 239.5708 -203449.6236 2559.9521 0.0000 0.0000 52196.0283 -109487.5125 299.9713 -161683.5408 -109128.5667 299.3642 128.4745 161.5137 760169.1062 5.6079 5.7521 PRESSURE: 885000 335.652 57.19 -155.774 57.1897 -138.923 260.526 -155.773 260.526 65.1444 GPRESSURE: 885000 304.349 200.427 -207.586 -33.8361 -18.1566 296.157 -124.904 184.781 50.1484 PRESSAVG: 885000 -27.303 -31.0842 15.0622 -31.0842 30.9806 39.6258 15.0622 39.6258 -7.25872 GPRESSAVG: 885000 -26.9515 -30.8184 12.9072 -31.2524 30.4769 40.6084 15.6574 39.1605 -7.08321 TIMING: 885000 CPU: 2858.5, 0.00315244/step Wall: 2858.5, 0.00315244/step, 3.60342 hours remaining, 230.875000 MB of memory in use. ENERGY: 885000 3999.2258 20567.1061 14502.6781 225.4736 -203681.9427 2736.2669 0.0000 0.0000 52403.4940 -109247.6983 301.1636 -161651.1922 -108890.5328 299.8420 87.2909 112.1137 760334.8131 -1.1937 -1.1859 PRESSURE: 885200 204.54 -56.7101 -205.821 -56.7108 -199.767 -163.892 -205.821 -163.893 -113.665 GPRESSURE: 885200 261.499 11.4542 -219.359 -4.39477 -231.484 -140.732 -251.012 -107.6 -65.0949 PRESSAVG: 885200 -18.2334 -23.8304 -29.5949 -23.8304 19.1374 -9.37561 -29.5948 -9.37561 13.377 GPRESSAVG: 885200 -18.2435 -26.4663 -27.6259 -23.652 19.0861 -11.0982 -31.7741 -8.79936 13.4835 TIMING: 885200 CPU: 2859.13, 0.003162/step Wall: 2859.13, 0.003162/step, 3.61416 hours remaining, 230.875000 MB of memory in use. ENERGY: 885200 4140.5780 20584.2515 14484.3894 228.4892 -202873.7167 2195.9597 0.0000 0.0000 52125.3614 -109114.6875 299.5652 -161240.0489 -108757.1349 300.5630 -36.2972 -11.6934 759891.4261 4.7603 4.7754 PRESSURE: 885400 -53.6915 93.5448 -81.0674 93.544 8.79788 68.3879 -81.0677 68.3879 -212.07 GPRESSURE: 885400 -19.5386 -0.306067 -87.4079 39.9085 23.5339 148.612 22.5874 -24.3052 -170.267 PRESSAVG: 885400 56.626 2.26848 22.8309 2.26848 -27.0676 -3.26993 22.8309 -3.26989 -11.7611 GPRESSAVG: 885400 56.0931 4.29938 21.8842 3.10678 -27.011 -2.87565 22.9594 -3.3666 -10.5419 TIMING: 885400 CPU: 2859.77, 0.00317376/step Wall: 2859.77, 0.00317376/step, 3.62743 hours remaining, 230.875000 MB of memory in use. ENERGY: 885400 4059.6031 20663.0490 14557.8159 241.2890 -203323.5967 2350.9574 0.0000 0.0000 52333.6766 -109117.2056 300.7624 -161450.8822 -108757.9759 300.3459 -85.6545 -55.4239 760676.9425 5.9324 6.1801 PRESSURE: 885600 114.806 -174.239 139.494 -174.238 -98.1237 -116.793 139.495 -116.792 321.492 GPRESSURE: 885600 96.0081 -206.604 72.5879 -156.375 81.2031 -86.9951 196.49 -153.23 233.684 PRESSAVG: 885600 4.83786 3.22508 27.7475 3.22509 5.86641 -22.207 27.7475 -22.207 18.0201 GPRESSAVG: 885600 4.13578 1.02071 27.9795 4.1611 7.18893 -21.4839 28.7958 -21.4777 17.5819 TIMING: 885600 CPU: 2860.4, 0.00317323/step Wall: 2860.4, 0.00317323/step, 3.62665 hours remaining, 230.875000 MB of memory in use. ENERGY: 885600 4046.7826 20678.6702 14543.2642 252.7782 -203200.0522 2659.5758 0.0000 0.0000 51994.5587 -109024.4225 298.8134 -161018.9812 -108665.9463 300.6514 112.7248 136.9652 761999.5542 9.5748 9.6355 PRESSURE: 885800 353.093 -80.4096 -43.0711 -80.409 17.5082 39.4415 -43.0708 39.4403 283.633 GPRESSURE: 885800 436.454 -203.492 -18.0344 -30.6551 61.3036 48.2091 -121.128 59.1078 250.424 PRESSAVG: 885800 -5.69662 -27.9856 -9.35227 -27.9856 29.3425 7.92472 -9.35229 7.92468 -1.99766 GPRESSAVG: 885800 -5.38285 -26.4568 -9.58236 -28.8425 27.9926 8.91425 -10.4956 6.82167 -1.15036 TIMING: 885800 CPU: 2861.03, 0.00315837/step Wall: 2861.03, 0.00315837/step, 3.60949 hours remaining, 230.875000 MB of memory in use. ENERGY: 885800 3983.2553 20299.5435 14593.2702 250.3617 -203666.8938 2914.2756 0.0000 0.0000 52326.0985 -109300.0890 300.7188 -161626.1875 -108924.9134 299.9066 218.0782 249.3936 761697.6833 7.2161 7.1531 PRESSURE: 886000 -473.901 140.813 -131.189 140.813 -297.257 156.872 -131.189 156.872 101.176 GPRESSURE: 886000 -393.803 69.9267 -38.4796 229.505 -312.28 205.673 -158.188 134.969 124.74 PRESSAVG: 886000 -32.746 -0.0557298 23.5534 -0.0557961 39.7398 20.2749 23.5534 20.2749 2.92043 GPRESSAVG: 886000 -30.1136 -0.333601 25.7175 -0.0405542 39.3049 18.5889 22.1354 21.6037 0.682924 TIMING: 886000 CPU: 2861.66, 0.00315111/step Wall: 2861.66, 0.00315111/step, 3.60102 hours remaining, 230.875000 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: 886000 4037.2586 20585.9339 14557.4077 259.1097 -203420.6408 2437.1672 0.0000 0.0000 52144.9912 -109398.7725 299.6780 -161543.7638 -109043.0178 299.8792 -223.3271 -193.7809 761038.6687 3.3047 3.2914 PRESSURE: 886200 204.938 -30.5427 241.355 -30.5431 -177.346 116.685 241.355 116.684 -228.552 GPRESSURE: 886200 179.268 -101.192 170.434 -86.9007 -111.776 99.326 196.021 66.0005 -180.008 PRESSAVG: 886200 -52.8036 -14.1627 13.3092 -14.1628 63.0539 49.2435 13.3091 49.2435 -18.7445 GPRESSAVG: 886200 -56.4916 -14.2104 11.3527 -13.8244 64.7605 49.9608 15.1782 47.7951 -16.337 TIMING: 886200 CPU: 2862.29, 0.00314539/step Wall: 2862.29, 0.00314539/step, 3.5943 hours remaining, 230.875000 MB of memory in use. ENERGY: 886200 3947.5992 20573.7579 14526.9131 261.6157 -203338.7328 2362.6362 0.0000 0.0000 52226.8760 -109439.3349 300.1486 -161666.2108 -109074.3497 299.4858 -66.9866 -37.5053 761353.6173 -2.8314 -2.6894 PRESSURE: 886400 82.5947 -332.141 65.4198 -332.141 -2.21436 -181.598 65.4196 -181.597 -154.547 GPRESSURE: 886400 89.9828 -236.336 63.2615 -292.718 71.7767 -233.055 104.418 -134.02 -158.975 PRESSAVG: 886400 -49.7369 -36.1722 22.7585 -36.1722 46.2425 -3.44405 22.7584 -3.44407 -3.32985 GPRESSAVG: 886400 -49.3633 -35.9312 22.1734 -36.2141 46.3273 -3.59631 20.7684 -1.35624 -3.97399 TIMING: 886400 CPU: 2862.92, 0.00316499/step Wall: 2862.92, 0.00316499/step, 3.61653 hours remaining, 230.875000 MB of memory in use. ENERGY: 886400 3978.7894 20528.5742 14547.1126 240.1706 -203351.4071 2562.7557 0.0000 0.0000 51999.5525 -109494.4522 298.8421 -161494.0046 -109122.6343 299.9395 -24.7222 0.9282 760726.4718 -2.2747 -2.3367 PRESSURE: 886600 115.779 15.8978 83.4607 15.8966 45.4148 -108.3 83.4603 -108.3 193.826 GPRESSURE: 886600 133.218 -32.5669 131.143 -28.1031 107.878 -117.463 18.115 -191.573 213.307 PRESSAVG: 886600 -17.8456 -4.05119 56.0048 -4.05111 66.2876 8.83225 56.0048 8.83221 8.65169 GPRESSAVG: 886600 -18.2337 -5.75817 56.8008 -4.73925 66.6549 7.45065 57.4785 7.50947 8.46621 TIMING: 886600 CPU: 2863.55, 0.00314987/step Wall: 2863.55, 0.00314987/step, 3.59908 hours remaining, 230.875000 MB of memory in use. ENERGY: 886600 3953.7028 20417.0785 14483.1206 242.6686 -203628.9068 2974.0280 0.0000 0.0000 52233.4057 -109324.9025 300.1861 -161558.3082 -108955.0542 299.3520 118.3398 151.4677 760687.5749 19.0312 18.9625 PRESSURE: 886800 -211.017 -52.2618 -349.698 -52.262 -303.946 143.881 -349.697 143.881 -351.192 GPRESSURE: 886800 -128.23 85.9195 -298.927 -76.4879 -293.748 184.626 -350.319 157.588 -367.359 PRESSAVG: 886800 -1.05746 -1.19799 23.5131 -1.19797 21.9599 -6.44532 23.513 -6.44535 30.2999 GPRESSAVG: 886800 -0.148966 1.86825 25.0724 -1.55605 20.192 -4.03211 20.8879 -5.79456 31.0051 TIMING: 886800 CPU: 2864.19, 0.00316536/step Wall: 2864.19, 0.00316536/step, 3.6166 hours remaining, 230.875000 MB of memory in use. ENERGY: 886800 4065.6022 20694.8849 14528.0318 258.5716 -203461.1420 2577.3611 0.0000 0.0000 52048.9188 -109287.7716 299.1259 -161336.6904 -108936.5325 300.1186 -288.7185 -263.1124 762708.1114 17.0675 17.0160 PRESSURE: 887000 -123.489 72.7525 -139.286 72.7521 -141.167 266.865 -139.285 266.865 -49.0875 GPRESSURE: 887000 -17.3786 81.2899 -63.0912 -4.55001 -52.1325 268.552 -30.8268 123.186 -154.796 PRESSAVG: 887000 -41.7053 -34.373 5.17236 -34.3729 50.1241 -41.4238 5.17241 -41.4238 -6.61688 GPRESSAVG: 887000 -40.6811 -36.0129 6.49574 -33.2768 51.7834 -41.6871 7.00637 -42.9353 -8.64206 TIMING: 887000 CPU: 2864.83, 0.00318833/step Wall: 2864.83, 0.00318833/step, 3.64267 hours remaining, 230.875000 MB of memory in use. ENERGY: 887000 3982.7278 20673.9115 14553.5133 264.9071 -203311.4130 2637.4722 0.0000 0.0000 51767.1752 -109431.7060 297.5067 -161198.8812 -109073.4240 300.2759 -104.5813 -74.7690 761356.4450 0.6006 0.8201 PRESSURE: 887200 -119.039 49.1806 -50.1574 49.1809 41.7528 160.409 -50.156 160.408 -190.57 GPRESSURE: 887200 -45.5753 202.518 -56.3976 48.9859 70.2349 229.194 -70.6325 123.941 -213.246 PRESSAVG: 887200 23.1225 -9.14337 15.8949 -9.14338 35.9554 -7.10774 15.8948 -7.10769 -7.28173 GPRESSAVG: 887200 23.7837 -7.05767 13.7463 -11.4002 34.3696 -6.08224 15.9055 -8.34677 -6.61927 TIMING: 887200 CPU: 2865.46, 0.00314775/step Wall: 2865.46, 0.00314775/step, 3.59613 hours remaining, 230.875000 MB of memory in use. ENERGY: 887200 4032.9193 20670.5574 14459.1140 258.1750 -203727.9581 2696.7694 0.0000 0.0000 52257.0238 -109353.3990 300.3218 -161610.4229 -108980.5608 299.9976 -89.2855 -62.8620 760832.4979 17.2654 17.1780 PRESSURE: 887400 -63.006 100.276 61.2198 100.276 -376.948 -86.2249 61.2193 -86.223 -294.215 GPRESSURE: 887400 65.0461 -32.6313 57.8332 161.495 -343.886 -149.876 57.8164 14.9374 -361.662 PRESSAVG: 887400 18.1017 -9.95018 -6.62014 -9.95011 5.00468 0.383421 -6.62012 0.383451 13.4897 GPRESSAVG: 887400 17.5656 -12.5367 -7.803 -7.90658 4.92424 -2.19376 -5.47208 1.67308 13.8654 TIMING: 887400 CPU: 2866.09, 0.00315755/step Wall: 2866.09, 0.00315755/step, 3.60715 hours remaining, 230.875000 MB of memory in use. ENERGY: 887400 3929.4524 20566.3164 14436.1989 248.2817 -203680.2963 2803.4038 0.0000 0.0000 52285.8337 -109410.8095 300.4874 -161696.6431 -109045.4171 299.4307 -244.7229 -213.5007 760646.2214 12.1987 12.1184 PRESSURE: 887600 -105.186 -77.731 149.119 -77.7311 -211.394 -127.114 149.119 -127.114 -456.432 GPRESSURE: 887600 -47.2915 -5.78642 70.7266 -117.716 -217.313 -123.671 221.379 -160.165 -421.649 PRESSAVG: 887600 -11.171 28.2469 8.53051 28.2469 7.16987 -38.1637 8.53045 -38.1637 26.4046 GPRESSAVG: 887600 -11.141 28.3825 9.26163 27.3274 7.70918 -37.5493 8.14924 -38.3326 25.6641 TIMING: 887600 CPU: 2866.72, 0.00317666/step Wall: 2866.72, 0.00317666/step, 3.6288 hours remaining, 230.875000 MB of memory in use. ENERGY: 887600 4001.0724 20675.4609 14509.0339 258.8132 -203486.8247 2437.5731 0.0000 0.0000 52196.7140 -109408.1571 299.9752 -161604.8711 -109053.5362 299.6628 -257.6704 -228.7512 760553.0152 7.4678 7.4108 PRESSURE: 887800 -119.022 -33.9026 -194.192 -33.9025 -141.259 156.4 -194.191 156.4 59.8348 GPRESSURE: 887800 -45.6563 31.6848 -202.89 25.629 -95.1707 84.7747 -145.927 13.0916 22.4058 PRESSAVG: 887800 -41.8308 6.71466 27.5794 6.71463 58.3647 -18.0378 27.5795 -18.0378 11.0426 GPRESSAVG: 887800 -43.725 8.37136 27.9274 6.15068 59.1018 -18.7653 24.812 -16.2473 12.1879 TIMING: 887800 CPU: 2867.35, 0.00316043/step Wall: 2867.35, 0.00316043/step, 3.61009 hours remaining, 230.875000 MB of memory in use. ENERGY: 887800 3957.4150 20515.9929 14434.0992 243.6734 -203443.1683 2644.5913 0.0000 0.0000 52070.0819 -109577.3146 299.2475 -161647.3964 -109213.0183 299.4809 -66.8156 -39.4737 761313.0919 9.1922 9.1882 PRESSURE: 888000 -496.171 -246.919 -42.0241 -246.92 -176.25 -27.338 -42.0247 -27.3382 243.793 GPRESSURE: 888000 -418.982 -265.108 22.1761 -204.373 -136.34 -62.1792 -29.3696 -5.06586 196.507 PRESSAVG: 888000 1.46802 -23.8714 22.5815 -23.8714 -7.16437 40.0585 22.5815 40.0586 -9.26796 GPRESSAVG: 888000 3.39241 -23.6567 21.0837 -23.104 -8.93007 40.7638 25.7086 38.5508 -8.97532 TIMING: 888000 CPU: 2867.98, 0.00314781/step Wall: 2867.98, 0.00314781/step, 3.5955 hours remaining, 230.875000 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: 888000 3993.8335 20614.9447 14504.5258 233.7640 -203618.0797 2594.4251 0.0000 0.0000 51894.4493 -109782.1372 298.2381 -161676.5865 -109419.1174 299.5039 -142.8759 -119.6053 761630.0865 -4.9881 -4.8377 PRESSURE: 888200 22.1946 144.892 -83.474 144.892 80.1387 -163.685 -83.4738 -163.686 311.15 GPRESSURE: 888200 -38.1416 69.3366 -65.4592 263.542 151.395 -172.88 -125.781 44.2466 376.056 PRESSAVG: 888200 -10.2889 -10.4366 -17.1387 -10.4366 7.65183 -18.2025 -17.1387 -18.2025 -18.0139 GPRESSAVG: 888200 -11.3744 -13.0139 -15.8085 -8.86401 7.73216 -19.3638 -18.5651 -18.3313 -17.1979 TIMING: 888200 CPU: 2868.61, 0.00315049/step Wall: 2868.61, 0.00315049/step, 3.59838 hours remaining, 230.875000 MB of memory in use. ENERGY: 888200 3978.0148 20464.0901 14471.2602 250.4950 -203442.1913 2371.8363 0.0000 0.0000 52011.3367 -109895.1581 298.9099 -161906.4949 -109520.0176 299.0408 137.8276 163.1034 759865.8014 -6.8837 -6.9467 LDB: ============= START OF LOAD BALANCING ============== 2881.04 LDB: ============== END OF LOAD BALANCING =============== 2881.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2881.04 LDB: ============= START OF LOAD BALANCING ============== 2881.35 LDB: Largest compute 7075 load 0.037633 is 19.2% of average load 0.195514 LDB: Average compute 0.004383 is 2.2% of average load 0.195514 LDB: TIME 2881.36 LOAD: AVG 0.195514 MAX 0.213559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.121 MB LDB: TIME 2881.36 LOAD: AVG 0.195514 MAX 0.213559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: TIME 2881.36 LOAD: AVG 0.195514 MAX 0.213559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: ============== END OF LOAD BALANCING =============== 2881.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2881.36 PRESSURE: 888400 -203.265 59.7821 -159.948 59.7819 90.8269 -87.9826 -159.948 -87.9809 66.8165 GPRESSURE: 888400 -129.541 85.9089 -57.308 65.3417 35.894 -129.011 -74.8899 -140.007 126.935 PRESSAVG: 888400 2.61676 -4.37612 16.1231 -4.37613 -4.58775 -41.3988 16.1231 -41.3988 -26.0689 GPRESSAVG: 888400 2.75032 -4.39536 16.8732 -5.03073 -4.09617 -39.5953 17.2286 -41.3822 -26.4556 TIMING: 888400 CPU: 2869.26, 0.00321424/step Wall: 2869.26, 0.00321424/step, 3.67102 hours remaining, 232.097656 MB of memory in use. ENERGY: 888400 3938.2047 20481.3967 14489.3266 254.8985 -203806.2927 2570.5495 0.0000 0.0000 52188.3934 -109883.5232 299.9274 -162071.9166 -109522.1239 298.7464 -15.2072 11.0960 760171.4556 -9.3466 -9.2671 PRESSURE: 888600 -331.683 14.9378 176.485 14.9378 -61.6394 68.6292 176.484 68.6311 -270.486 GPRESSURE: 888600 -263.754 -66.3071 156.769 -67.7548 -106.565 56.8592 239.845 195.902 -222.764 PRESSAVG: 888600 -34.3458 64.9197 20.2719 64.9197 36.7221 -48.4834 20.2719 -48.4834 4.17756 GPRESSAVG: 888600 -34.3166 66.2181 20.348 62.1703 37.2545 -48.5701 20.0944 -47.3403 3.87811 TIMING: 888600 CPU: 2869.88, 0.00314183/step Wall: 2869.88, 0.00314183/step, 3.58814 hours remaining, 232.167969 MB of memory in use. ENERGY: 888600 4005.1051 20488.1159 14467.7432 236.5508 -203601.0048 2425.4363 0.0000 0.0000 52174.5674 -109803.4861 299.8480 -161978.0535 -109446.9108 298.6985 -221.2693 -197.6944 761317.7427 2.1846 2.2720 PRESSURE: 888800 -506.751 -136.527 -185.001 -136.526 -497.78 -371.625 -185.001 -371.625 -265.184 GPRESSURE: 888800 -412.363 -179.732 -159.148 -40.185 -483.387 -223.626 -255.149 -468.047 -289.48 PRESSAVG: 888800 -33.5118 34.9004 -11.9129 34.9004 42.7248 -20.1947 -11.9128 -20.1947 13.4612 GPRESSAVG: 888800 -32.9698 35.0499 -13.1134 38.3605 42.4085 -19.7732 -12.698 -19.0394 13.3108 TIMING: 888800 CPU: 2870.52, 0.00317303/step Wall: 2870.52, 0.00317303/step, 3.6236 hours remaining, 232.167969 MB of memory in use. ENERGY: 888800 4121.7891 20398.7021 14460.6292 255.9502 -203926.5749 2614.6171 0.0000 0.0000 52151.1252 -109923.7620 299.7132 -162074.8872 -109554.7270 299.0479 -423.2384 -395.0767 760843.1941 7.5581 7.5832 PRESSURE: 889000 -108.054 -89.1616 229.754 -89.1607 -466.645 -49.9076 229.754 -49.9077 -215.21 GPRESSURE: 889000 -36.4902 40.991 168.095 -20.2704 -416.082 -44.7613 104.776 81.8353 -233.044 PRESSAVG: 889000 53.1273 -32.9289 35.166 -32.9288 -3.82627 -44.1662 35.1659 -44.1662 -19.9049 GPRESSAVG: 889000 53.845 -35.3686 34.3931 -34.5055 -3.53604 -44.8987 34.976 -44.8396 -20.3423 TIMING: 889000 CPU: 2871.15, 0.00314624/step Wall: 2871.15, 0.00314624/step, 3.59284 hours remaining, 232.167969 MB of memory in use. ENERGY: 889000 3997.2416 20584.5348 14509.7875 259.5721 -203601.4594 2323.0578 0.0000 0.0000 52090.5283 -109836.7374 299.3650 -161927.2656 -109473.7878 298.6444 -263.3028 -228.5387 760705.1931 9.7987 9.9889 PRESSURE: 889200 -15.9081 45.8391 121.705 45.8381 114.163 77.3008 121.705 77.3017 -61.6248 GPRESSURE: 889200 70.4735 37.5172 94.9543 6.79211 137.603 48.0001 186.872 -46.271 -95.0875 PRESSAVG: 889200 30.8442 -57.819 -11.2075 -57.819 -36.5507 1.56315 -11.2075 1.56315 11.9439 GPRESSAVG: 889200 29.7239 -55.201 -9.77568 -59.6112 -35.5842 1.8037 -9.88666 0.859789 12.0418 TIMING: 889200 CPU: 2871.78, 0.00316715/step Wall: 2871.78, 0.00316715/step, 3.61653 hours remaining, 232.167969 MB of memory in use. ENERGY: 889200 3978.7562 20696.4449 14460.1437 239.6528 -204192.1351 3201.7318 0.0000 0.0000 51888.2774 -109727.1282 298.2026 -161615.4056 -109359.7336 298.7316 12.2100 37.6630 761058.4189 2.0791 2.0605 PRESSURE: 889400 -259.399 -162.186 295.537 -162.185 -216.21 171.573 295.538 171.573 -165.009 GPRESSURE: 889400 -204.577 -88.9401 260.813 -106.302 -167.392 299.384 146.095 53.68 -198.787 PRESSAVG: 889400 -4.52546 -52.1462 22.8568 -52.1462 -16.5259 20.5645 22.8568 20.5644 -17.3167 GPRESSAVG: 889400 -3.96443 -53.9046 22.1263 -50.8351 -17.8664 19.3983 19.9865 21.7943 -16.3843 TIMING: 889400 CPU: 2872.41, 0.00315217/step Wall: 2872.41, 0.00315217/step, 3.59925 hours remaining, 232.167969 MB of memory in use. ENERGY: 889400 3933.0192 20560.1918 14478.0056 245.6258 -203187.5038 2295.9797 0.0000 0.0000 51816.5823 -109858.0993 297.7906 -161674.6816 -109489.8815 298.5211 -213.5395 -190.2519 761899.9076 -12.7894 -12.7384 PRESSURE: 889600 32.8817 -58.8035 107.884 -58.8038 78.8157 160.507 107.884 160.506 -71.3139 GPRESSURE: 889600 45.7662 28.5389 9.35494 -9.92129 126.611 143.699 29.4827 128.732 -43.6613 PRESSAVG: 889600 -53.9262 -38.4258 -6.32607 -38.4259 15.3186 -4.24906 -6.32609 -4.24906 7.82322 GPRESSAVG: 889600 -53.8555 -39.8238 -6.78616 -38.8499 15.7762 -3.15624 -5.38429 -3.75843 6.86294 TIMING: 889600 CPU: 2873.04, 0.00315901/step Wall: 2873.04, 0.00315901/step, 3.60689 hours remaining, 232.167969 MB of memory in use. ENERGY: 889600 3908.2172 20529.9289 14489.4717 254.9727 -203646.7345 2740.5909 0.0000 0.0000 51998.7699 -109724.7831 298.8376 -161723.5530 -109359.8547 299.0570 13.4612 42.9053 760457.7734 -10.2615 -10.4055 PRESSURE: 889800 -87.1798 75.8227 -178.791 75.824 53.9175 56.9731 -178.79 56.9741 -34.6507 GPRESSURE: 889800 -51.6005 -55.8762 -88.5114 47.587 62.0635 117.024 -111.834 -20.3103 4.99291 PRESSAVG: 889800 16.5921 -29.0144 36.3025 -29.0144 0.270111 2.57375 36.3025 2.57369 21.2873 GPRESSAVG: 889800 16.101 -28.3235 37.8077 -29.5017 0.0623177 2.25288 37.045 2.25176 21.9869 TIMING: 889800 CPU: 2873.67, 0.00314493/step Wall: 2873.67, 0.00314493/step, 3.59064 hours remaining, 232.167969 MB of memory in use. ENERGY: 889800 4026.3515 20733.5213 14381.5646 251.2128 -204129.4412 2822.2909 0.0000 0.0000 51992.6728 -109921.8272 298.8026 -161914.5000 -109572.6855 299.0754 -22.6377 5.1520 759805.5401 12.7165 12.7167 PRESSURE: 890000 -278.19 57.4183 1.47014 57.4179 46.9041 136.014 1.47002 136.014 -525.699 GPRESSURE: 890000 -247.023 80.6595 20.3606 155.176 54.4211 72.8571 -34.5957 40.2515 -466.543 PRESSAVG: 890000 26.6577 1.32652 -4.62977 1.3266 -25.7503 -75.9689 -4.6298 -75.9688 -16.3144 GPRESSAVG: 890000 26.346 1.3125 -5.28788 2.90274 -26.2072 -76.1812 -1.88228 -75.9241 -15.6701 TIMING: 890000 CPU: 2874.3, 0.00313924/step Wall: 2874.3, 0.00313924/step, 3.58396 hours remaining, 232.167969 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: 890000 4030.1470 20712.5110 14431.4273 249.8677 -203681.0581 2479.5590 0.0000 0.0000 52055.7298 -109721.8163 299.1650 -161777.5460 -109358.2754 299.4974 -252.3283 -219.7151 761543.6441 -5.1357 -5.1771 PRESSURE: 890200 56.0263 -191.869 110.502 -191.869 -2.19182 -100.811 110.502 -100.812 136.205 GPRESSURE: 890200 96.762 -190.601 67.2403 -208.089 -1.54346 1.38608 234.816 -62.9254 172.447 PRESSAVG: 890200 17.8719 10.5587 -14.8071 10.5587 -14.8062 -44.4204 -14.8071 -44.4205 13.002 GPRESSAVG: 890200 19.2585 10.8652 -15.7067 10.2388 -14.9442 -43.569 -18.2322 -44.0136 11.6717 TIMING: 890200 CPU: 2874.93, 0.00314229/step Wall: 2874.93, 0.00314229/step, 3.58728 hours remaining, 232.167969 MB of memory in use. ENERGY: 890200 3997.2174 20623.1355 14456.4013 263.3256 -204045.0683 2951.9567 0.0000 0.0000 52110.0084 -109643.0235 299.4769 -161753.0318 -109279.5075 299.1462 63.3466 89.2220 759946.0769 5.3559 5.3287 PRESSURE: 890400 215.748 6.96189 -12.4674 6.96182 -362.223 110.691 -12.468 110.691 -43.4275 GPRESSURE: 890400 239.251 -67.0147 -49.8197 -22.5488 -330.234 127.721 -34.1406 106.189 1.60949 PRESSAVG: 890400 75.6297 -17.7396 32.7447 -17.7396 -113.43 -41.7773 32.7447 -41.7773 -8.48998 GPRESSAVG: 890400 75.261 -18.1583 33.3845 -17.5724 -114.041 -40.9632 34.1519 -41.0027 -7.86954 TIMING: 890400 CPU: 2875.56, 0.00314718/step Wall: 2875.56, 0.00314718/step, 3.59268 hours remaining, 232.167969 MB of memory in use. ENERGY: 890400 4007.0099 20589.3225 14495.1444 247.8680 -203395.8611 2378.8565 0.0000 0.0000 52085.7406 -109591.9192 299.3375 -161677.6599 -109226.4372 299.2486 -63.3010 -29.7914 759218.9016 -15.4302 -15.5500 PRESSURE: 890600 108.335 231.933 61.136 231.934 -79.8939 207.491 61.1349 207.492 -265.808 GPRESSURE: 890600 161.394 209.776 26.7101 62.7875 -77.594 188.564 -138.585 163.205 -223.097 PRESSAVG: 890600 -0.385812 27.9522 -29.8035 27.9522 -16.51 30.1925 -29.8034 30.1925 32.2896 GPRESSAVG: 890600 -0.249406 28.0415 -30.0593 28.5295 -15.6512 29.3754 -31.2076 29.5656 31.7376 TIMING: 890600 CPU: 2876.19, 0.00314772/step Wall: 2876.19, 0.00314772/step, 3.59313 hours remaining, 232.167969 MB of memory in use. ENERGY: 890600 3918.9190 20629.1544 14419.8279 214.8415 -204205.9764 3118.4967 0.0000 0.0000 52371.6849 -109533.0521 300.9808 -161904.7370 -109173.3877 299.3799 -79.1224 -46.4321 759767.6868 5.1313 5.2790 PRESSURE: 890800 70.6565 -41.1821 -1.89023 -41.1818 180.374 11.1513 -1.88966 11.1504 217.717 GPRESSURE: 890800 182.689 36.7335 -67.6192 -96.0091 144.513 27.2692 65.879 -75.2441 211.853 PRESSAVG: 890800 -11.2958 -43.867 2.76087 -43.867 32.1918 63.2021 2.76084 63.2021 4.07965 GPRESSAVG: 890800 -11.5385 -44.4029 2.65542 -42.614 32.5402 63.6296 3.02065 61.3554 3.61869 TIMING: 890800 CPU: 2876.82, 0.00313667/step Wall: 2876.82, 0.00313667/step, 3.58033 hours remaining, 232.167969 MB of memory in use. ENERGY: 890800 4003.7701 20646.2368 14433.6350 240.1780 -203694.8868 2563.4099 0.0000 0.0000 52386.6817 -109420.9753 301.0670 -161807.6569 -109052.7667 300.5393 156.2493 179.6850 760505.2287 8.3252 8.2068 PRESSURE: 891000 140.037 8.99456 189.877 8.99429 251.925 170.538 189.879 170.537 -101.506 GPRESSURE: 891000 112.217 -43.3712 90.3066 -47.7384 358.305 125.446 339.917 150.538 -95.4658 PRESSAVG: 891000 -43.1009 -33.5157 -34.8071 -33.5157 39.6249 39.4227 -34.8071 39.4227 1.68759 GPRESSAVG: 891000 -44.2189 -30.2302 -33.9814 -35.7931 39.2583 38.6404 -33.7924 38.5542 2.84543 TIMING: 891000 CPU: 2877.44, 0.00312877/step Wall: 2877.44, 0.00312877/step, 3.57114 hours remaining, 232.371094 MB of memory in use. ENERGY: 891000 4054.1619 20615.8817 14506.1239 250.8274 -204130.8629 2945.8292 0.0000 0.0000 52222.7551 -109535.2838 300.1249 -161758.0388 -109182.3489 299.8246 96.8187 125.0187 760929.3357 -0.5961 -0.7051 PRESSURE: 891200 -42.1849 -2.56894 -71.4076 -2.56881 -225.347 212.688 -71.408 212.689 -432.725 GPRESSURE: 891200 -18.7506 -80.5632 -35.6541 36.2027 -187.858 232.647 -68.5834 160.135 -414.178 PRESSAVG: 891200 -38.8415 -11.2636 -8.51294 -11.2636 20.7722 -5.3678 -8.51292 -5.36779 -6.60418 GPRESSAVG: 891200 -38.2372 -12.4624 -8.76803 -11.6784 21.0551 -6.51021 -8.03563 -4.26764 -7.16532 TIMING: 891200 CPU: 2878.07, 0.00313512/step Wall: 2878.07, 0.00313513/step, 3.57822 hours remaining, 232.371094 MB of memory in use. ENERGY: 891200 4028.2678 20541.1962 14476.8821 239.9467 -203326.6631 2563.3857 0.0000 0.0000 52116.4658 -109360.5187 299.5140 -161476.9846 -109003.6843 299.6885 -233.4190 -206.9289 764074.7644 -8.2245 -8.1158 PRESSURE: 891400 -87.2455 13.7262 -129.402 13.7265 54.9652 -14.3475 -129.401 -14.3478 -521.874 GPRESSURE: 891400 -37.0522 12.3085 -109.755 14.2417 31.0517 -99.4015 -177.938 17.0351 -435.477 PRESSAVG: 891400 33.2867 35.9566 -42.9071 35.9566 -20.6039 67.3979 -42.9071 67.3979 0.138027 GPRESSAVG: 891400 34.0102 34.9282 -41.8313 38.7294 -21.5792 69.4076 -44.1664 66.2816 1.00789 TIMING: 891400 CPU: 2878.7, 0.00315324/step Wall: 2878.7, 0.00315324/step, 3.59872 hours remaining, 232.371094 MB of memory in use. ENERGY: 891400 4042.9771 20406.9913 14463.8907 272.7076 -203238.5057 2584.7372 0.0000 0.0000 52052.6327 -109414.5691 299.1472 -161467.2018 -109049.2275 300.0771 -184.7179 -147.1592 762506.5888 4.2736 4.4796 PRESSURE: 891600 69.5694 -109.422 -176.524 -109.421 18.7439 57.2038 -176.524 57.2026 17.4804 GPRESSURE: 891600 135.066 25.7201 -108.471 -261.704 83.131 73.2774 -271.702 31.8745 -1.19005 PRESSAVG: 891600 -38.0849 -65.5155 -66.4259 -65.5155 33.0153 59.5058 -66.4259 59.5058 9.9516 GPRESSAVG: 891600 -38.3615 -63.469 -67.3469 -66.9858 33.7867 58.3985 -66.2563 63.1359 9.14667 TIMING: 891600 CPU: 2879.33, 0.00315475/step Wall: 2879.33, 0.00315475/step, 3.60027 hours remaining, 232.371094 MB of memory in use. ENERGY: 891600 3994.1204 20531.0674 14540.3218 240.0752 -203264.1944 2446.2937 0.0000 0.0000 52142.7773 -109369.5385 299.6653 -161512.3159 -109001.3940 300.0098 35.2645 72.3357 761287.2785 1.6273 1.5240 PRESSURE: 891800 -365.217 -55.741 -35.6664 -55.7411 62.5054 -203.371 -35.6672 -203.372 -292.085 GPRESSURE: 891800 -296.277 -86.8819 1.53613 -26.1031 98.6417 -167.06 -27.887 -186.995 -309.873 PRESSAVG: 891800 13.8152 -44.2846 -57.615 -44.2846 -6.65658 10.0958 -57.615 10.0958 12.8251 GPRESSAVG: 891800 14.1658 -44.5037 -57.3801 -44.5277 -7.11437 10.8982 -57.7017 7.97057 13.2891 TIMING: 891800 CPU: 2879.96, 0.00317234/step Wall: 2879.96, 0.00317234/step, 3.62017 hours remaining, 232.371094 MB of memory in use. ENERGY: 891800 4031.0441 20601.3269 14440.5835 235.6805 -203545.6662 2626.0934 0.0000 0.0000 52181.6567 -109429.2811 299.8887 -161610.9378 -109056.9454 299.8504 -198.2654 -169.1692 761227.4754 6.6613 6.7802 PRESSURE: 892000 146.002 -128.479 -8.99649 -128.479 -340.147 -231.52 -8.99665 -231.519 -51.5191 GPRESSURE: 892000 126.702 -27.3322 -15.7865 -72.2721 -250.451 -201.733 78.5005 -219.943 -55.5494 PRESSAVG: 892000 16.4853 -43.6456 -15.5934 -43.6456 27.3538 18.7977 -15.5933 18.7977 -0.869493 GPRESSAVG: 892000 17.2016 -43.6871 -15.6101 -43.2031 28.2199 19.2634 -13.8689 19.2037 -2.12245 TIMING: 892000 CPU: 2880.6, 0.00318039/step Wall: 2880.6, 0.00318039/step, 3.62918 hours remaining, 232.371094 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: 892000 4013.6198 20609.3194 14495.2269 244.7760 -203643.6839 2728.7192 0.0000 0.0000 52182.0624 -109369.9602 299.8910 -161552.0226 -109001.7146 299.9268 -81.8880 -59.7660 759786.8786 14.3232 14.4330 PRESSURE: 892200 91.3907 119.175 -57.78 119.175 240.475 216.396 -57.7796 216.396 229.201 GPRESSURE: 892200 54.3155 134.755 -44.9489 33.404 337.747 249.204 11.1558 154.903 257.498 PRESSAVG: 892200 -12.8864 -75.5868 32.8904 -75.5868 43.681 -17.2221 32.8905 -17.222 17.0067 GPRESSAVG: 892200 -13.98 -75.656 33.2778 -75.7974 44.5721 -15.2096 31.8475 -18.3562 17.6339 TIMING: 892200 CPU: 2881.23, 0.00316875/step Wall: 2881.23, 0.00316875/step, 3.61572 hours remaining, 232.371094 MB of memory in use. ENERGY: 892200 4035.2829 20607.5864 14475.6466 239.3511 -203735.2892 2807.6101 0.0000 0.0000 52096.4541 -109473.3580 299.3990 -161569.8121 -109104.5187 299.4617 187.0224 216.5202 760856.5753 15.9338 16.0753 LDB: ============= START OF LOAD BALANCING ============== 2893.66 LDB: ============== END OF LOAD BALANCING =============== 2893.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2893.66 LDB: ============= START OF LOAD BALANCING ============== 2893.97 LDB: Largest compute 7075 load 0.040674 is 20.8% of average load 0.195494 LDB: Average compute 0.004402 is 2.3% of average load 0.195494 LDB: TIME 2893.98 LOAD: AVG 0.195494 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 2893.98 LOAD: AVG 0.195494 MAX 0.214441 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: TIME 2893.98 LOAD: AVG 0.195494 MAX 0.214441 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.816 MB LDB: ============== END OF LOAD BALANCING =============== 2893.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2893.99 PRESSURE: 892400 -128.12 111.83 -66.0177 111.83 -76.1172 64.0487 -66.0185 64.049 17.5031 GPRESSURE: 892400 -26.473 98.2216 -172.156 81.2672 -76.3392 13.9732 -26.5203 5.28675 6.8331 PRESSAVG: 892400 -10.7814 -6.31346 -63.013 -6.31351 21.8294 -78.0146 -63.013 -78.0146 7.37979 GPRESSAVG: 892400 -11.0079 -6.85615 -64.4238 -6.02926 21.3102 -80.0589 -63.0964 -76.2346 7.80391 TIMING: 892400 CPU: 2881.88, 0.00322196/step Wall: 2881.88, 0.00322196/step, 3.67626 hours remaining, 232.359375 MB of memory in use. ENERGY: 892400 4026.4726 20435.3982 14436.7238 244.1525 -203070.7169 2383.3095 0.0000 0.0000 52207.6996 -109336.9608 300.0384 -161544.6604 -108980.0042 299.6974 -62.2446 -31.9930 762049.5997 6.1426 6.0354 PRESSURE: 892600 69.3129 70.7099 306.166 70.7107 -60.7894 152.896 306.167 152.897 -127.629 GPRESSURE: 892600 149.393 91.5564 218.949 58.5441 -33.5119 156.635 265.724 161.865 -126.444 PRESSAVG: 892600 -4.38729 36.3155 28.6521 36.3154 -12.9189 -18.0711 28.6521 -18.0712 14.5296 GPRESSAVG: 892600 -3.89262 37.1296 28.877 35.1802 -13.0262 -18.2819 29.041 -19.2536 14.4465 TIMING: 892600 CPU: 2882.51, 0.00316666/step Wall: 2882.51, 0.00316667/step, 3.61299 hours remaining, 232.429688 MB of memory in use. ENERGY: 892600 3994.9609 20592.7584 14460.6170 253.8130 -203380.2252 2784.0566 0.0000 0.0000 52110.4864 -109183.5329 299.4797 -161294.0193 -108836.5530 299.6229 -39.7020 -3.5210 761772.0586 -0.9255 -0.8241 PRESSURE: 892800 200.674 -145.989 -21.1624 -145.989 118.23 -8.043 -21.163 -8.04352 -187.08 GPRESSURE: 892800 276.782 -99.8588 -8.69282 -31.8635 141.798 -175.403 1.49764 132.472 -200.284 PRESSAVG: 892800 -34.1841 -8.65356 -1.6024 -8.65354 47.1498 -20.8119 -1.6024 -20.8119 -1.27645 GPRESSAVG: 892800 -32.2311 -9.7361 -0.370939 -6.59315 46.6816 -21.4475 -2.40756 -19.4446 -2.57545 TIMING: 892800 CPU: 2883.14, 0.00314915/step Wall: 2883.14, 0.00314915/step, 3.59283 hours remaining, 232.429688 MB of memory in use. ENERGY: 892800 4023.5588 20410.8234 14426.3897 235.8516 -203692.6011 2784.4170 0.0000 0.0000 52271.0225 -109540.5382 300.4023 -161811.5607 -109175.0188 299.7038 43.9413 72.7655 760378.8591 3.8964 3.9583 PRESSURE: 893000 -412.286 78.8088 129.225 78.8087 -346.546 215.986 129.225 215.985 63.4599 GPRESSURE: 893000 -242.991 -13.297 197.112 93.8132 -327.893 209.931 108.768 360.255 -36.8947 PRESSAVG: 893000 67.9188 -5.76874 14.7236 -5.76877 -27.3263 9.43078 14.7236 9.43073 -21.5572 GPRESSAVG: 893000 66.7757 -5.85742 13.7572 -8.67783 -28.1463 10.1157 16.4284 9.66862 -19.7061 TIMING: 893000 CPU: 2883.77, 0.00313319/step Wall: 2883.77, 0.00313319/step, 3.57445 hours remaining, 232.429688 MB of memory in use. ENERGY: 893000 4012.3209 20548.0537 14387.6531 239.2972 -203484.2870 2411.3800 0.0000 0.0000 52084.0757 -109801.5063 299.3279 -161885.5820 -109425.8968 299.4578 -231.7908 -202.5929 761004.3379 6.3451 6.3078 PRESSURE: 893200 141.173 -4.33198 94.2975 -4.33215 68.5896 -80.551 94.2971 -80.5504 304.111 GPRESSURE: 893200 92.4416 -69.5728 121.339 18.843 228.437 -128.568 28.0417 -11.5543 296.452 PRESSAVG: 893200 -75.8323 -27.6881 68.6513 -27.6881 49.1826 41.5974 68.6513 41.5974 -6.49109 GPRESSAVG: 893200 -76.8996 -27.8489 69.2781 -26.9447 50.8539 42.289 67.6465 42.7724 -6.79366 TIMING: 893200 CPU: 2884.4, 0.0031492/step Wall: 2884.4, 0.0031492/step, 3.59254 hours remaining, 232.429688 MB of memory in use. ENERGY: 893200 3917.0840 20622.4399 14487.4260 241.5437 -203593.9795 2646.0462 0.0000 0.0000 52112.3143 -109567.1254 299.4902 -161679.4397 -109206.3978 299.5645 171.2911 205.7769 761470.0957 -11.0469 -10.9465 PRESSURE: 893400 147.682 -70.3274 -59.4753 -70.3266 74.5063 -25.339 -59.476 -25.3402 -387.795 GPRESSURE: 893400 78.126 -110.938 -48.7946 -48.0237 141.926 37.5002 -50.2135 -3.9113 -315.63 PRESSAVG: 893400 -5.96443 -43.8508 1.41161 -43.8507 3.78184 26.6739 1.41164 26.6739 17.9236 GPRESSAVG: 893400 -3.76372 -45.591 2.32608 -42.5539 1.70424 24.3692 0.190995 26.398 17.6539 TIMING: 893400 CPU: 2885.03, 0.00315051/step Wall: 2885.03, 0.00315051/step, 3.59386 hours remaining, 232.429688 MB of memory in use. ENERGY: 893400 3994.1515 20625.3265 14437.7357 229.3286 -203513.4603 2634.4957 0.0000 0.0000 52019.5153 -109572.9071 298.9569 -161592.4224 -109213.7501 299.0851 -55.2023 -31.8593 761715.5434 5.2470 5.1981 PRESSURE: 893600 -158.111 -72.82 -49.6963 -72.8202 -20.744 136.992 -49.6968 136.991 26.3547 GPRESSURE: 893600 -84.6676 -86.999 -13.6077 -111.513 78.4303 39.4891 -46.2871 80.7472 -18.8767 PRESSAVG: 893600 -28.0955 8.93169 -4.43391 8.9317 76.8383 61.4827 -4.43392 61.4827 -11.5203 GPRESSAVG: 893600 -29.1245 12.204 -6.71583 6.12766 77.2528 64.1703 -3.52798 59.9009 -10.6813 TIMING: 893600 CPU: 2885.67, 0.00318434/step Wall: 2885.67, 0.00318434/step, 3.63227 hours remaining, 232.429688 MB of memory in use. ENERGY: 893600 3977.8358 20612.0337 14512.0455 244.8114 -203405.7134 2300.7779 0.0000 0.0000 52118.7240 -109639.4851 299.5270 -161758.2091 -109276.6523 299.1621 -50.8333 -8.3714 760580.8557 12.4075 12.4823 PRESSURE: 893800 112.885 -54.4312 -34.66 -54.4315 -180.344 -124.572 -34.6604 -124.573 454.291 GPRESSURE: 893800 5.34889 48.1425 -7.95453 6.83012 -77.7646 -76.5691 32.1451 -182.088 540.352 PRESSAVG: 893800 -11.5895 -6.58566 -5.88487 -6.58561 36.1298 4.62452 -5.88496 4.62458 13.1583 GPRESSAVG: 893800 -12.5666 -7.79244 -4.04858 -3.26545 37.832 3.53961 -5.72386 3.19799 12.2664 TIMING: 893800 CPU: 2886.3, 0.00318679/step Wall: 2886.3, 0.00318679/step, 3.63489 hours remaining, 232.429688 MB of memory in use. ENERGY: 893800 3942.2317 20574.1058 14562.2463 249.0526 -203321.5103 2420.1242 0.0000 0.0000 51950.7651 -109622.9846 298.5618 -161573.7497 -109257.9000 299.4768 128.9444 155.9789 760411.9156 12.5662 12.5106 PRESSURE: 894000 -134.933 105.644 9.84504 105.644 197.59 117.445 9.84476 117.445 -262.029 GPRESSURE: 894000 -54.8795 145.515 68.6736 116.916 145.295 121.934 -113.394 249.522 -193.206 PRESSAVG: 894000 -26.5234 -10.9176 -10.5859 -10.9175 10.413 -57.2365 -10.5859 -57.2364 -9.65101 GPRESSAVG: 894000 -25.0385 -10.3228 -10.2126 -11.4586 8.00044 -56.512 -14.3673 -57.604 -8.42242 TIMING: 894000 CPU: 2886.94, 0.00318591/step Wall: 2886.94, 0.00318591/step, 3.6337 hours remaining, 232.429688 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: 894000 3997.7380 20671.5854 14559.1475 237.3268 -203362.4536 2574.6453 0.0000 0.0000 51907.6011 -109414.4094 298.3137 -161322.0105 -109052.8252 299.1115 -66.4574 -34.2635 760041.4627 -8.5871 -8.4868 PRESSURE: 894200 161.822 -302.691 -109.281 -302.692 25.2936 -139.996 -109.281 -139.996 161.7 GPRESSURE: 894200 169.189 -310.26 -73.7142 -267.714 92.8987 -104.893 17.1841 -143.449 195.253 PRESSAVG: 894200 12.652 -8.75626 -9.6517 -8.75629 28.6324 -19.0822 -9.65171 -19.0822 18.0513 GPRESSAVG: 894200 12.1469 -8.39968 -10.1427 -8.47942 30.864 -18.6614 -8.80786 -16.8808 16.8024 TIMING: 894200 CPU: 2887.57, 0.00315463/step Wall: 2887.57, 0.00315463/step, 3.59786 hours remaining, 232.429688 MB of memory in use. ENERGY: 894200 3960.2346 20654.7891 14493.6007 241.1143 -203552.4861 2734.7363 0.0000 0.0000 52122.8067 -109345.2044 299.5505 -161468.0111 -108983.8579 299.5127 116.2720 152.4468 760359.1766 19.7786 19.9378 PRESSURE: 894400 -42.9295 105.002 -213.644 105.002 98.9498 40.5514 -213.643 40.5513 -163.768 GPRESSURE: 894400 -6.0381 34.5561 -180.905 184.76 161.001 -59.5484 -140.056 -24.6381 -184.752 PRESSAVG: 894400 -58.9215 -29.1626 -40.5421 -29.1626 69.5047 -23.7359 -40.542 -23.7359 0.177713 GPRESSAVG: 894400 -58.8063 -29.7236 -42.1564 -31.7517 68.3771 -26.2004 -36.5082 -24.1256 1.08241 TIMING: 894400 CPU: 2888.21, 0.00318922/step Wall: 2888.21, 0.00318922/step, 3.63713 hours remaining, 232.429688 MB of memory in use. ENERGY: 894400 3939.6701 20534.5666 14512.3897 241.1889 -203521.2630 2725.6317 0.0000 0.0000 52217.6239 -109350.1922 300.0954 -161567.8161 -108994.7250 299.6456 -35.9159 -9.9294 759959.3711 3.5870 3.5511 PRESSURE: 894600 -224.928 -161.503 -92.2703 -161.502 -204.856 190.641 -92.2693 190.641 40.1325 GPRESSURE: 894600 -143.713 -194.48 -132.648 -106.877 -228.692 251.943 7.25527 67.7206 70.4561 PRESSAVG: 894600 6.45139 -70.0082 -91.4157 -70.0082 22.707 -1.59966 -91.4156 -1.59969 5.1885 GPRESSAVG: 894600 7.43352 -68.9538 -91.4418 -67.7755 23.1171 1.24576 -93.0895 -4.52235 3.82202 TIMING: 894600 CPU: 2888.84, 0.00316794/step Wall: 2888.84, 0.00316794/step, 3.61268 hours remaining, 232.429688 MB of memory in use. ENERGY: 894600 4022.7821 20497.8437 14519.5501 243.8612 -202877.4665 2154.1414 0.0000 0.0000 52162.5372 -109276.7509 299.7788 -161439.2880 -108908.8388 300.1621 -129.8837 -100.6495 760642.3520 11.4490 11.4575 PRESSURE: 894800 -360.384 14.4696 -349.711 14.4699 131.695 1.72874 -349.711 1.72768 132.874 GPRESSURE: 894800 -239.538 -45.4808 -257.446 -85.4148 98.2478 -39.9891 -311.154 66.0961 155.407 PRESSAVG: 894800 -56.7016 -16.9846 -51.8602 -16.9846 63.7572 -37.5778 -51.8602 -37.5778 15.4884 GPRESSAVG: 894800 -56.406 -17.9598 -51.7489 -17.8154 62.9676 -39.823 -51.1605 -33.1043 16.0465 TIMING: 894800 CPU: 2889.47, 0.00315873/step Wall: 2889.47, 0.00315873/step, 3.602 hours remaining, 232.429688 MB of memory in use. ENERGY: 894800 3987.5437 20617.1133 14462.6261 243.6077 -203132.8721 2359.5100 0.0000 0.0000 52257.6395 -109204.8319 300.3254 -161462.4714 -108841.8778 299.6070 -31.9381 4.7058 760427.4266 7.5147 7.5360 PRESSURE: 895000 -57.0172 -41.4288 82.9896 -41.4298 -557.368 126.057 82.989 126.057 -132.273 GPRESSURE: 895000 -193.994 -23.0666 101.548 -79.6288 -370.15 185.763 274.851 -25.3646 -106.799 PRESSAVG: 895000 -62.4563 -18.3232 -22.1649 -18.3231 28.1161 -12.904 -22.1649 -12.9041 -2.84546 GPRESSAVG: 895000 -65.0594 -19.6662 -21.9789 -17.3032 30.1225 -12.6237 -22.843 -16.5946 -2.08979 TIMING: 895000 CPU: 2890.1, 0.00314882/step Wall: 2890.1, 0.00314882/step, 3.59053 hours remaining, 232.429688 MB of memory in use. ENERGY: 895000 4038.8603 20605.3966 14564.0790 251.1933 -203025.4963 2306.6789 0.0000 0.0000 52148.4807 -109110.8075 299.6980 -161259.2882 -108745.5458 300.2363 -248.8858 -223.6476 760546.9516 -12.3952 -12.3422 PRESSURE: 895200 110.064 -11.9054 -51.544 -11.9062 29.7552 -57.2881 -51.5429 -57.2884 -144.527 GPRESSURE: 895200 113.749 41.9937 -91.1842 -38.4826 28.4388 -93.19 -86.729 76.0154 -80.6347 PRESSAVG: 895200 -26.5707 21.9866 -47.7538 21.9866 -16.5398 -1.25617 -47.7538 -1.25621 -1.82422 GPRESSAVG: 895200 -26.0333 23.9764 -47.6621 19.6023 -17.5056 -0.911527 -49.4558 1.84801 -1.69412 TIMING: 895200 CPU: 2890.74, 0.00315813/step Wall: 2890.74, 0.00315813/step, 3.60097 hours remaining, 232.429688 MB of memory in use. ENERGY: 895200 4029.2796 20433.2890 14504.0820 248.8009 -203147.5241 2463.4413 0.0000 0.0000 52251.4609 -109217.1705 300.2899 -161468.6314 -108856.8255 299.8632 -1.5691 20.5176 761703.4336 -14.9782 -15.0777 PRESSURE: 895400 -255.981 -43.0705 2.86336 -43.0707 51.5482 107.218 2.86395 107.219 -46.1868 GPRESSURE: 895400 -246.711 -1.41572 -3.41964 -74.1952 155.993 131.062 42.859 -32.7532 -83.9895 PRESSAVG: 895400 11.4642 -78.2336 0.449222 -78.2336 35.4523 1.95352 0.449227 1.95346 13.0854 GPRESSAVG: 895400 11.8391 -78.5122 1.91596 -76.2908 36.6291 2.00143 0.637298 0.686323 11.3436 TIMING: 895400 CPU: 2891.36, 0.0031423/step Wall: 2891.36, 0.0031423/step, 3.58274 hours remaining, 232.429688 MB of memory in use. ENERGY: 895400 3963.7423 20492.9823 14602.6499 241.7447 -202959.1940 2280.1875 0.0000 0.0000 52183.4768 -109194.4106 299.8992 -161377.8873 -108835.5418 299.6492 -83.5399 -58.2358 760620.7839 20.0006 19.9373 PRESSURE: 895600 79.1561 -9.09261 -93.9536 -9.0926 67.3269 497.437 -93.9543 497.436 271.272 GPRESSURE: 895600 136.101 46.1669 -91.7739 0.420555 31.0819 516.182 -99.2469 475.94 328.183 PRESSAVG: 895600 -19.9068 -119.802 -3.75627 -119.802 33.9934 7.95858 -3.75626 7.95858 3.49005 GPRESSAVG: 895600 -19.2462 -118.56 -3.42756 -118.71 32.2507 8.00191 -3.63778 6.28475 4.60367 TIMING: 895600 CPU: 2892, 0.00316012/step Wall: 2892, 0.00316012/step, 3.60288 hours remaining, 232.429688 MB of memory in use. ENERGY: 895600 3937.5336 20643.0718 14502.3122 249.1958 -203474.3440 2758.7678 0.0000 0.0000 52057.0391 -109326.4237 299.1725 -161383.4628 -108959.3118 299.9814 139.2516 165.1220 759533.6501 5.8589 5.8694 PRESSURE: 895800 -227.376 80.5794 -188.768 80.5791 -267.032 39.3507 -188.769 39.3503 -157.942 GPRESSURE: 895800 -211.388 -19.9186 -184.661 31.925 -266.136 37.224 -133.257 59.8501 -92.7335 PRESSAVG: 895800 -23.8934 -89.1935 -33.4041 -89.1935 21.6356 -54.1676 -33.4041 -54.1677 -1.75085 GPRESSAVG: 895800 -24.1437 -92.5119 -36.1089 -89.2141 21.6377 -54.5125 -32.9808 -53.755 -1.63997 TIMING: 895800 CPU: 2892.63, 0.00318619/step Wall: 2892.63, 0.00318619/step, 3.63243 hours remaining, 232.429688 MB of memory in use. ENERGY: 895800 3959.2792 20538.0629 14477.3947 244.8570 -203187.3335 2372.6728 0.0000 0.0000 52055.6418 -109539.4252 299.1645 -161595.0669 -109171.7497 299.1197 -217.4501 -190.0856 758709.7404 -1.3362 -1.3820 PRESSURE: 896000 283.209 -35.2359 66.1406 -35.2347 418.268 6.61739 66.14 6.61686 -136.687 GPRESSURE: 896000 328.632 -20.2341 96.3816 -104.768 407.944 -14.8804 108.548 60.7021 -81.4822 PRESSAVG: 896000 -57.1503 -100.559 41.1532 -100.559 39.1815 -22.1328 41.1533 -22.1328 23.8431 GPRESSAVG: 896000 -57.2536 -99.3986 41.351 -101.735 38.845 -21.5328 42.4616 -23.2898 24.1814 TIMING: 896000 CPU: 2893.26, 0.00313971/step Wall: 2893.26, 0.00313971/step, 3.57927 hours remaining, 232.429688 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: 896000 4023.0405 20353.7634 14453.7230 246.3682 -203704.0443 2794.2116 0.0000 0.0000 52274.3709 -109558.5666 300.4215 -161832.9375 -109191.8306 298.8961 188.2629 218.3644 758832.2767 1.9581 1.9243 PRESSURE: 896200 198.2 -130.729 23.0215 -130.729 -72.7661 122.094 23.0206 122.094 -336.408 GPRESSURE: 896200 253.186 -153.69 3.00284 -129.555 -101.175 138.898 12.8694 113.834 -289.475 PRESSAVG: 896200 3.79373 -71.8741 17.4833 -71.8741 -16.9314 16.1784 17.4833 16.1784 -7.00471 GPRESSAVG: 896200 2.63556 -72.5475 17.9985 -71.7772 -16.3796 15.951 16.8874 19.7672 -6.29217 TIMING: 896200 CPU: 2893.89, 0.0031651/step Wall: 2893.89, 0.0031651/step, 3.60804 hours remaining, 232.429688 MB of memory in use. ENERGY: 896200 3959.4673 20610.6236 14427.1253 248.6974 -203325.0904 2366.0748 0.0000 0.0000 52018.6477 -109694.4542 298.9519 -161713.1019 -109329.2856 299.0191 -70.3246 -45.8215 760870.5755 -6.7141 -6.6787 LDB: ============= START OF LOAD BALANCING ============== 2906.32 LDB: ============== END OF LOAD BALANCING =============== 2906.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2906.32 LDB: ============= START OF LOAD BALANCING ============== 2906.63 LDB: Largest compute 7025 load 0.037028 is 18.9% of average load 0.195494 LDB: Average compute 0.004405 is 2.3% of average load 0.195494 LDB: TIME 2906.64 LOAD: AVG 0.195494 MAX 0.215415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.816 MB LDB: TIME 2906.64 LOAD: AVG 0.195494 MAX 0.215415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.91 MB LDB: TIME 2906.64 LOAD: AVG 0.195494 MAX 0.215415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.91 MB LDB: ============== END OF LOAD BALANCING =============== 2906.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2906.64 PRESSURE: 896400 169.703 55.1154 228.263 55.1151 144.695 103.672 228.263 103.671 -12.3032 GPRESSURE: 896400 144.614 81.8862 117.344 99.1583 147.761 68.8195 267.98 201.265 65.1926 PRESSAVG: 896400 12.36 -25.9373 -2.30306 -25.9375 -19.5856 11.3029 -2.30307 11.3029 -1.73372 GPRESSAVG: 896400 12.007 -24.1404 -2.31235 -26.9184 -19.1721 9.80735 -0.601464 9.43202 -1.94766 TIMING: 896400 CPU: 2894.54, 0.00321679/step Wall: 2894.54, 0.00321679/step, 3.66678 hours remaining, 232.925781 MB of memory in use. ENERGY: 896400 3951.8215 20465.6648 14495.5952 245.6334 -203209.7354 2377.5847 0.0000 0.0000 51943.2751 -109730.1608 298.5187 -161673.4359 -109363.7391 299.2008 100.6983 119.1892 759795.5380 -2.9865 -3.0376 PRESSURE: 896600 496.476 -8.56784 0.678563 -8.56807 30.8701 70.9552 0.678141 70.9563 183.191 GPRESSURE: 896600 424.755 33.6876 -13.9418 -25.221 152.6 54.8846 3.38194 48.9333 213.083 PRESSAVG: 896600 0.146019 -67.4841 23.3395 -67.4842 23.6855 67.5033 23.3394 67.5033 -14.8573 GPRESSAVG: 896600 -0.618889 -69.2369 24.7581 -64.5372 24.3981 68.9431 20.4576 66.3988 -14.9611 TIMING: 896600 CPU: 2895.17, 0.00314597/step Wall: 2895.17, 0.00314597/step, 3.58588 hours remaining, 233.230469 MB of memory in use. ENERGY: 896600 3982.2333 20539.2989 14510.3258 250.4283 -203316.0760 2317.9752 0.0000 0.0000 52066.5924 -109649.2221 299.2274 -161715.8146 -109280.7146 298.9095 236.8457 263.4793 759372.7365 2.9914 2.9394 PRESSURE: 896800 96.1396 120.524 49.8781 120.523 -164.938 -194.958 49.8781 -194.958 361.028 GPRESSURE: 896800 270.288 -5.08369 39.6837 134.132 -187.008 -102.655 -9.3382 -111.235 304.173 PRESSAVG: 896800 -13.9272 0.342148 18.8059 0.342162 -12.6576 -24.3503 18.8059 -24.3504 0.361486 GPRESSAVG: 896800 -13.5864 1.58969 18.3446 -2.8941 -13.1933 -24.4376 19.5108 -23.2353 0.568239 TIMING: 896800 CPU: 2895.8, 0.00314151/step Wall: 2895.8, 0.00314151/step, 3.58062 hours remaining, 233.230469 MB of memory in use. ENERGY: 896800 3969.4066 20434.9321 14502.0694 245.9045 -203288.7241 2444.5866 0.0000 0.0000 51988.1487 -109703.6760 298.7766 -161691.8248 -109346.1024 299.2851 97.4098 129.1511 762176.0379 -8.7411 -8.7371 PRESSURE: 897000 -441.371 -84.249 145.165 -84.2484 -204.183 200.88 145.164 200.882 156.753 GPRESSURE: 897000 -315.774 -217.679 114.439 -105.748 -264.274 185.394 139.502 106.113 176.386 PRESSAVG: 897000 27.3051 -65.3098 1.01343 -65.3098 -46.7115 12.3876 1.01349 12.3877 -9.60817 GPRESSAVG: 897000 27.8195 -65.9287 -0.412579 -63.6593 -47.8942 11.6582 0.831037 13.9274 -9.31349 TIMING: 897000 CPU: 2896.42, 0.00314234/step Wall: 2896.42, 0.00314234/step, 3.5814 hours remaining, 233.230469 MB of memory in use. ENERGY: 897000 3998.4368 20486.1320 14424.9193 263.0396 -202857.0632 2279.8648 0.0000 0.0000 51969.1499 -109435.5209 298.6674 -161404.6707 -109079.8516 299.2522 -162.9334 -134.5542 762953.5613 -9.6715 -9.7961 PRESSURE: 897200 230.843 -11.5245 -57.7082 -11.5251 3.25838 -139.089 -57.7083 -139.088 -88.7503 GPRESSURE: 897200 293.16 63.7967 18.453 -20.2975 39.3949 -117.397 45.8482 -109.187 -99.3067 PRESSAVG: 897200 -55.4863 49.7008 23.7122 49.7008 0.483953 -15.3262 23.7123 -15.3262 15.4996 GPRESSAVG: 897200 -54.9808 49.917 21.8868 49.8167 1.12839 -14.1049 24.9157 -17.8133 14.3081 TIMING: 897200 CPU: 2897.05, 0.00313684/step Wall: 2897.05, 0.00313684/step, 3.57495 hours remaining, 233.230469 MB of memory in use. ENERGY: 897200 3985.5209 20495.3694 14498.0754 235.1879 -203503.0968 2673.1417 0.0000 0.0000 52074.8074 -109540.9941 299.2746 -161615.8015 -109174.1403 299.6801 48.4502 77.7493 761447.8147 -13.1676 -13.1815 PRESSURE: 897400 -348.64 36.7443 -31.3642 36.7446 -324.299 230.098 -31.3638 230.097 -28.4563 GPRESSURE: 897400 -389.064 5.30354 -43.178 43.9872 -203.502 262.998 20.1514 119.314 -19.3876 PRESSAVG: 897400 -22.1608 30.6387 46.8159 30.6387 -15.4693 53.1357 46.8159 53.1357 -7.58489 GPRESSAVG: 897400 -22.9738 29.8832 48.5495 31.3973 -15.0256 53.2885 47.687 52.2118 -7.11427 TIMING: 897400 CPU: 2897.68, 0.0031303/step Wall: 2897.68, 0.0031303/step, 3.56733 hours remaining, 233.230469 MB of memory in use. ENERGY: 897400 3944.7263 20573.0905 14395.3116 238.5582 -203149.0519 2441.1047 0.0000 0.0000 51885.1484 -109671.1122 298.1847 -161556.2606 -109323.1985 299.2691 -233.7983 -203.9844 763113.5961 -15.0716 -15.0379 PRESSURE: 897600 63.154 69.8054 77.8513 69.8062 -138.073 54.4976 77.8518 54.4971 229.299 GPRESSURE: 897600 100.941 -26.6109 35.5366 58.4474 -150.123 -10.671 132.879 18.4616 279.812 PRESSAVG: 897600 70.9018 14.3396 -6.69302 14.3396 -48.8422 34.0339 -6.69298 34.034 4.60186 GPRESSAVG: 897600 71.1425 12.495 -6.83354 12.9383 -48.2563 34.7076 -7.43265 35.0733 3.48104 TIMING: 897600 CPU: 2898.3, 0.00312982/step Wall: 2898.3, 0.00312982/step, 3.56661 hours remaining, 233.230469 MB of memory in use. ENERGY: 897600 3930.2582 20490.7842 14405.3669 241.6047 -203607.9501 2697.4520 0.0000 0.0000 52196.7470 -109645.7370 299.9754 -161842.4841 -109294.7547 299.3864 51.4600 76.8767 762493.0545 8.8872 8.7891 PRESSURE: 897800 -0.292772 -171.271 94.098 -171.271 -236.637 104.664 94.098 104.663 -107.669 GPRESSURE: 897800 -79.6085 -58.0334 24.2651 -158.54 -63.2335 190.582 9.1187 119.4 -130.223 PRESSAVG: 897800 14.0663 -33.8428 -18.1208 -33.8428 -15.8058 25.4119 -18.1208 25.412 21.4391 GPRESSAVG: 897800 13.4515 -31.5247 -17.996 -35.0196 -14.7591 24.8352 -18.4095 25.0143 21.5407 TIMING: 897800 CPU: 2898.93, 0.00314554/step Wall: 2898.93, 0.00314554/step, 3.58434 hours remaining, 233.230469 MB of memory in use. ENERGY: 897800 3964.0529 20540.8195 14431.9067 266.1707 -203385.2663 2529.1630 0.0000 0.0000 51992.9342 -109660.2193 298.8041 -161653.1535 -109297.7284 299.4050 -114.8663 -91.0215 762600.4829 6.5665 6.7444 PRESSURE: 898000 -111.282 6.57775 -162.679 6.57745 61.6155 24.0144 -162.679 24.014 -296.902 GPRESSURE: 898000 -93.2111 -15.7338 -89.5078 27.495 34.8762 -45.8487 -150.606 88.9919 -181.267 PRESSAVG: 898000 12.5458 -14.8469 -14.6379 -14.8469 4.88737 40.873 -14.6379 40.873 3.63171 GPRESSAVG: 898000 12.3427 -13.7384 -12.4812 -13.7411 3.56164 40.7254 -16.5517 40.9753 5.29326 TIMING: 898000 CPU: 2899.56, 0.00315318/step Wall: 2899.56, 0.00315318/step, 3.59287 hours remaining, 233.230469 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: 898000 4012.2658 20493.1634 14507.6850 253.0783 -203581.5408 2771.5308 0.0000 0.0000 52064.8163 -109479.0011 299.2172 -161543.8174 -109111.6501 299.0908 -115.5228 -79.8674 761371.6901 7.0216 7.0659 PRESSURE: 898200 -300.227 -23.2129 3.9381 -23.2137 -149.332 -127.681 3.9376 -127.681 209.282 GPRESSURE: 898200 -221.964 -62.2128 -43.3795 10.658 -108.032 -112.767 193.302 -40.5633 168.948 PRESSAVG: 898200 -0.00517869 18.021 24.1498 18.021 27.0262 49.1908 24.1498 49.1908 21.5339 GPRESSAVG: 898200 0.828898 17.4787 21.2996 17.8653 26.7349 50.1806 25.6807 50.0111 21.0044 TIMING: 898200 CPU: 2900.19, 0.00314612/step Wall: 2900.19, 0.00314612/step, 3.58465 hours remaining, 233.230469 MB of memory in use. ENERGY: 898200 3975.8491 20418.6227 14519.3494 252.1860 -203767.9153 2761.5663 0.0000 0.0000 52181.4027 -109658.9391 299.8872 -161840.3418 -109290.7299 299.1640 -80.0923 -53.6827 761303.7956 16.1850 16.1894 PRESSURE: 898400 -275.256 -160.088 305.384 -160.089 -73.4654 84.2949 305.384 84.294 -298.652 GPRESSURE: 898400 -257.111 -1.5915 365.505 -163.141 -86.756 112.82 347.387 166.309 -215.075 PRESSAVG: 898400 -43.5813 -39.4244 -5.99508 -39.4244 35.1017 19.7682 -5.99503 19.7682 -2.68095 GPRESSAVG: 898400 -43.7069 -38.155 -4.68261 -37.7189 35.2902 18.6834 -3.77778 20.5719 -2.88651 TIMING: 898400 CPU: 2900.82, 0.00314991/step Wall: 2900.82, 0.00314991/step, 3.5888 hours remaining, 233.230469 MB of memory in use. ENERGY: 898400 3887.1228 20598.5542 14442.7329 229.2492 -203507.0499 2511.0773 0.0000 0.0000 52053.0407 -109785.2727 299.1495 -161838.3134 -109423.0523 299.1617 -215.7912 -186.3140 762545.5169 -3.7202 -3.7677 PRESSURE: 898600 143.217 120.347 -348.183 120.347 -78.6052 105.48 -348.182 105.479 600.082 GPRESSURE: 898600 116.503 72.026 -363.438 113.495 13.333 88.9546 -369.018 60.8121 628.281 PRESSAVG: 898600 -36.2782 -37.4402 25.6091 -37.4402 13.736 -21.4144 25.609 -21.4144 -1.12823 GPRESSAVG: 898600 -35.769 -38.0041 26.0951 -38.7106 12.9275 -22.5873 23.987 -23.6877 -0.78681 TIMING: 898600 CPU: 2901.45, 0.00312969/step Wall: 2901.45, 0.00312969/step, 3.56559 hours remaining, 233.285156 MB of memory in use. ENERGY: 898600 3924.1108 20710.0190 14420.9619 256.9579 -203555.9286 2743.4961 0.0000 0.0000 51737.5678 -109762.8151 297.3365 -161500.3829 -109410.2232 298.7610 221.5645 252.7057 762432.8172 -7.8901 -7.8761 PRESSURE: 898800 -107.422 36.9095 50.6916 36.9103 89.6538 48.4711 50.6917 48.4724 -31.5427 GPRESSURE: 898800 -86.529 27.714 -98.2374 30.622 204.241 76.2022 207.597 86.6084 -99.2547 PRESSAVG: 898800 -25.18 2.14298 -10.8138 2.14302 37.5344 93.2442 -10.8138 93.2441 -17.6847 GPRESSAVG: 898800 -24.4788 2.3829 -12.4638 2.25199 38.2731 94.2843 -10.7194 95.8758 -19.1938 TIMING: 898800 CPU: 2902.07, 0.00313316/step Wall: 2902.07, 0.00313316/step, 3.56936 hours remaining, 233.285156 MB of memory in use. ENERGY: 898800 4078.4107 20430.2409 14456.8949 243.8909 -203640.0177 2503.1413 0.0000 0.0000 52057.7383 -109869.7007 299.1765 -161927.4390 -109493.0679 298.5939 -16.4370 6.1525 761266.4153 -1.7767 -1.7998 PRESSURE: 899000 -25.2237 -144.902 -131.794 -144.903 -41.2216 -44.7151 -131.794 -44.715 236.64 GPRESSURE: 899000 -6.17441 -160.338 -24.7878 -162.98 1.23888 -41.6331 -67.5774 -79.9171 256.687 PRESSAVG: 899000 -19.5068 -58.8522 -29.9851 -58.8522 50.2245 40.409 -29.985 40.4089 0.757623 GPRESSAVG: 899000 -19.9495 -60.0817 -29.3771 -59.7396 50.2007 40.5168 -31.3114 39.411 0.433949 TIMING: 899000 CPU: 2902.7, 0.00314089/step Wall: 2902.7, 0.00314089/step, 3.578 hours remaining, 233.285156 MB of memory in use. ENERGY: 899000 3965.1652 20483.0565 14490.8063 230.8354 -203731.4712 2536.9785 0.0000 0.0000 52194.8072 -109829.8220 299.9643 -162024.6292 -109467.5089 298.6621 56.7316 83.9170 761313.3085 10.4918 10.2284 PRESSURE: 899200 -156.354 214.006 -24.4576 214.007 59.0003 140.672 -24.4572 140.673 -187.5 GPRESSURE: 899200 -142.601 300.591 2.60052 173.273 70.0307 121.936 -30.4687 109.579 -112.556 PRESSAVG: 899200 6.10424 -8.59099 -35.7275 -8.59101 14.803 -30.322 -35.7275 -30.322 16.3671 GPRESSAVG: 899200 5.42423 -8.53122 -35.4591 -10.0664 13.2886 -30.4926 -33.9368 -30.576 18.7945 TIMING: 899200 CPU: 2903.33, 0.00314158/step Wall: 2903.33, 0.00314158/step, 3.57861 hours remaining, 233.285156 MB of memory in use. ENERGY: 899200 4024.2705 20449.5439 14477.6925 232.4321 -203617.7231 2696.1674 0.0000 0.0000 51727.7786 -110009.8380 297.2803 -161737.6166 -109643.6248 298.3562 -94.9512 -61.7086 761492.1013 12.4248 12.5025 PRESSURE: 899400 138.579 -31.213 9.11022 -31.2133 -169.923 -80.7691 9.10923 -80.7693 -19.0499 GPRESSURE: 899400 161.845 -98.5235 47.6533 71.4796 -186.684 -134.359 14.4254 -35.6624 72.447 PRESSAVG: 899400 -13.1358 8.53196 -28.7125 8.53193 3.56059 65.709 -28.7126 65.7091 22.7334 GPRESSAVG: 899400 -12.3155 10.3459 -27.0183 9.82487 3.84266 66.2647 -30.5275 64.3924 21.4571 TIMING: 899400 CPU: 2903.96, 0.00314895/step Wall: 2903.96, 0.00314895/step, 3.58683 hours remaining, 233.285156 MB of memory in use. ENERGY: 899400 3969.8376 20486.7462 14517.9866 245.7085 -203716.1863 2641.9089 0.0000 0.0000 52168.8833 -109685.1152 299.8153 -161853.9985 -109324.0235 298.6949 -16.7978 15.8693 761683.6673 4.3861 4.3281 PRESSURE: 899600 -341.715 -122.799 -188.242 -122.799 2.44731 111.157 -188.242 111.157 -144.629 GPRESSURE: 899600 -275.975 -98.1509 -215.685 -137.779 31.7539 144.211 -156.739 162.668 -158.931 PRESSAVG: 899600 -14.5205 13.3188 -30.5794 13.3188 28.1386 47.5037 -30.5794 47.5036 10.0209 GPRESSAVG: 899600 -16.1609 11.1581 -32.3333 12.3529 28.7565 47.0904 -30.3717 50.5018 10.9456 TIMING: 899600 CPU: 2904.59, 0.00314169/step Wall: 2904.59, 0.00314169/step, 3.57838 hours remaining, 233.300781 MB of memory in use. ENERGY: 899600 3974.8328 20486.6594 14457.6104 266.4056 -203473.3290 2552.1463 0.0000 0.0000 51869.0301 -109866.6443 298.0920 -161735.6745 -109509.8522 298.9981 -161.2989 -134.3840 761999.5232 7.8796 7.8471 PRESSURE: 899800 27.2375 13.8853 136.241 13.8855 141.93 106.992 136.24 106.992 -51.4741 GPRESSURE: 899800 92.6339 3.4886 61.9457 -3.87019 89.6944 61.4388 108.819 53.6175 19.429 PRESSAVG: 899800 -62.357 -31.794 11.6992 -31.794 41.7046 -3.88784 11.6992 -3.88777 1.7561 GPRESSAVG: 899800 -62.366 -30.5325 11.5305 -29.8515 41.9135 -3.30465 13.0871 -5.41208 1.20606 TIMING: 899800 CPU: 2905.22, 0.00314074/step Wall: 2905.22, 0.00314074/step, 3.57713 hours remaining, 233.300781 MB of memory in use. ENERGY: 899800 3970.4703 20676.7046 14456.5561 234.4274 -203501.4308 2635.7509 0.0000 0.0000 51436.3032 -110091.2185 295.6051 -161527.5217 -109738.0038 298.1116 39.2312 67.2524 762814.9597 -6.2988 -6.4155 PRESSURE: 900000 207.221 -28.2084 155.501 -28.2086 -278.328 47.9087 155.501 47.9093 219.585 GPRESSURE: 900000 240.82 39.8321 222.635 40.505 -196.334 80.1439 158.564 -17.5897 194.17 PRESSAVG: 900000 -3.53424 -28.0959 -26.2519 -28.0959 30.5888 -1.71682 -26.2519 -1.71695 6.58432 GPRESSAVG: 900000 -2.44167 -29.3339 -26.3732 -27.0439 30.6008 -1.81411 -26.9879 -3.10162 5.73905 TIMING: 900000 CPU: 2905.85, 0.00314298/step Wall: 2905.85, 0.00314298/step, 3.57951 hours remaining, 233.300781 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: 900000 4093.1446 20605.9587 14410.1877 259.2202 -203557.8702 2631.3445 0.0000 0.0000 51498.0138 -110060.0006 295.9598 -161558.0144 -109713.7430 297.6564 49.4924 79.5520 759752.2572 11.2129 11.2994 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.016 seconds, 233.301 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 19.233 -129.91 -160.443 -129.911 64.8792 -277.841 -160.444 -277.842 212.696 GPRESSURE: 900200 104.921 -129.92 -103.574 -113.321 95.3303 -244.886 -133.074 -248.183 169.93 PRESSAVG: 900200 32.5447 -30.1298 -8.88909 -30.1298 -39.3229 19.4521 -8.88912 19.4521 19.3456 GPRESSAVG: 900200 32.8753 -29.2186 -8.54182 -31.1799 -39.5748 20.3097 -9.2996 20.4945 19.5932 TIMING: 900200 CPU: 2906.5, 0.0032652/step Wall: 2906.5, 0.0032652/step, 3.71852 hours remaining, 233.300781 MB of memory in use. ENERGY: 900200 3997.0694 20386.4842 14368.8751 239.2926 -204129.1809 3069.8880 0.0000 0.0000 52090.7892 -109976.7826 299.3665 -162067.5718 -109609.2738 298.1668 98.9360 123.3941 760979.0988 4.1891 4.2979 LDB: ============= START OF LOAD BALANCING ============== 2918.92 LDB: ============== END OF LOAD BALANCING =============== 2918.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2918.92 LDB: ============= START OF LOAD BALANCING ============== 2919.24 LDB: Largest compute 7075 load 0.039705 is 20.3% of average load 0.195494 LDB: Average compute 0.004383 is 2.2% of average load 0.195494 LDB: TIME 2919.24 LOAD: AVG 0.195494 MAX 0.217928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.496 MB LDB: TIME 2919.24 LOAD: AVG 0.195494 MAX 0.217928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.531 MB LDB: TIME 2919.24 LOAD: AVG 0.195494 MAX 0.217928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.531 MB LDB: ============== END OF LOAD BALANCING =============== 2919.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2919.25 Info: useSync: 0 useProxySync: 0 PRESSURE: 900400 -3.82688 68.9265 -212.338 68.9273 -30.5133 182.618 -212.338 182.619 -34.8016 GPRESSURE: 900400 35.4476 66.7784 -186.724 16.2212 -53.1769 134.042 -164.337 111.876 21.3264 PRESSAVG: 900400 -11.7833 -14.0093 -9.69172 -14.0092 10.3819 -8.78612 -9.69176 -8.78625 -4.99957 GPRESSAVG: 900400 -11.1837 -13.601 -10.3113 -14.7703 9.40935 -8.4434 -7.82065 -8.24396 -4.14942 TIMING: 900400 CPU: 2907.14, 0.00321308/step Wall: 2907.14, 0.00321308/step, 3.65898 hours remaining, 230.925781 MB of memory in use. ENERGY: 900400 4014.9059 20486.0227 14397.6786 284.0921 -204060.3136 2815.7100 0.0000 0.0000 52189.3749 -109872.5293 299.9331 -162061.9042 -109502.5321 298.4495 -23.0473 1.1990 761926.9132 -2.1337 -1.9746 PRESSURE: 900600 302.517 218.497 74.602 218.496 429.034 -31.2573 74.6017 -31.2563 -154.511 GPRESSURE: 900600 221.579 66.9036 112.21 150.175 473.238 -19.0829 8.75458 -110.589 -34.2931 PRESSAVG: 900600 -18.5749 21.9082 -8.40271 21.9083 -3.57739 22.5619 -8.40276 22.562 8.26242 GPRESSAVG: 900600 -19.447 19.9667 -7.76184 21.2043 -2.54322 20.2548 -9.55174 24.3402 7.97087 TIMING: 900600 CPU: 2907.77, 0.00314054/step Wall: 2907.77, 0.00314054/step, 3.57621 hours remaining, 231.015625 MB of memory in use. ENERGY: 900600 4034.8039 20567.6200 14385.1945 247.2055 -203844.0882 2755.0639 0.0000 0.0000 52045.0402 -109809.1602 299.1036 -161854.2004 -109452.6305 298.4983 192.3467 220.1745 761085.8052 -4.6300 -4.6731 PRESSURE: 900800 124.258 -284.807 36.1178 -284.807 104.845 -125.533 36.1179 -125.533 -40.9176 GPRESSURE: 900800 123.213 -78.8032 8.0382 -168.706 180.811 -31.6857 14.8556 -157.837 -28.9377 PRESSAVG: 900800 -76.0439 5.3099 56.0692 5.30994 18.9571 70.025 56.0692 70.025 2.7052 GPRESSAVG: 900800 -75.1335 7.92857 55.9194 5.10606 19.599 70.3942 56.9407 67.304 1.72382 TIMING: 900800 CPU: 2908.39, 0.003125/step Wall: 2908.39, 0.003125/step, 3.55834 hours remaining, 231.015625 MB of memory in use. ENERGY: 900800 3969.8828 20496.4001 14455.1192 241.6840 -203687.9942 2910.0888 0.0000 0.0000 51523.4795 -110091.3399 296.1061 -161614.8194 -109741.0090 298.6966 62.7284 91.6954 760922.9823 -18.1272 -17.9369 PRESSURE: 901000 431.105 -69.1603 -41.1191 -69.1602 -249.415 -217.33 -41.1189 -217.331 53.8008 GPRESSURE: 901000 481.084 -81.8228 40.1937 -26.7128 -155.29 -211.151 -16.0371 -20.4273 -7.94002 PRESSAVG: 901000 44.437 -19.9117 6.70958 -19.9117 7.31163 37.3358 6.70955 37.3358 6.00833 GPRESSAVG: 901000 43.4424 -22.3382 5.66753 -17.9787 8.06455 38.4854 5.11288 37.9003 6.72855 TIMING: 901000 CPU: 2909.02, 0.00312715/step Wall: 2909.02, 0.00312715/step, 3.56061 hours remaining, 231.015625 MB of memory in use. ENERGY: 901000 3995.5718 20465.6431 14431.1972 273.2097 -203433.4443 2463.4688 0.0000 0.0000 52024.9325 -109779.4210 298.9880 -161804.3536 -109415.5685 298.2835 78.4968 105.9514 758486.0220 19.2523 19.4118 PRESSURE: 901200 214.099 -43.9877 120.438 -43.9889 34.6617 -146.446 120.439 -146.447 523.285 GPRESSURE: 901200 227.763 -51.6788 128.383 30.3949 158.268 -118.224 57.9669 -127.764 476.63 PRESSAVG: 901200 45.4845 -13.5465 56.9359 -13.5465 -38.7568 65.4151 56.9359 65.415 -28.1822 GPRESSAVG: 901200 46.411 -12.7486 57.8862 -14.002 -39.7678 64.5192 56.0561 66.7038 -28.1869 TIMING: 901200 CPU: 2909.65, 0.00315519/step Wall: 2909.65, 0.00315519/step, 3.59236 hours remaining, 231.015625 MB of memory in use. ENERGY: 901200 3879.6899 20392.4555 14452.5065 269.2016 -203858.2176 2771.7984 0.0000 0.0000 52263.1334 -109829.4323 300.3569 -162092.5657 -109465.3788 298.3514 257.3488 287.5535 759118.3614 -7.1515 -7.1812 PRESSURE: 901400 -72.4962 -75.8603 88.8095 -75.8607 73.5047 270.599 88.8102 270.598 37.9952 GPRESSURE: 901400 -107.856 -21.7054 256.689 -161.771 85.9194 221.772 29.3488 388.075 151.136 PRESSAVG: 901400 -2.0466 -46.3506 55.0981 -46.3506 7.11342 36.5877 55.0982 36.5878 -25.68 GPRESSAVG: 901400 -3.38475 -45.9425 54.3445 -47.2631 6.15623 37.629 55.9457 35.8777 -23.693 TIMING: 901400 CPU: 2910.28, 0.00315372/step Wall: 2910.28, 0.00315372/step, 3.59051 hours remaining, 231.015625 MB of memory in use. ENERGY: 901400 3970.6355 20433.9638 14544.6007 254.1419 -203705.0969 2618.7157 0.0000 0.0000 51972.1673 -109910.8722 298.6848 -161883.0395 -109544.9148 298.9319 13.0012 43.0666 758573.7766 -6.8711 -6.9738 PRESSURE: 901600 66.8902 158.54 100.408 158.54 -247.519 -214.802 100.407 -214.802 -20.7101 GPRESSURE: 901600 37.1752 124.785 68.8525 86.4522 -110.003 -191.605 201.426 -218.648 -53.762 PRESSAVG: 901600 -42.9885 -54.1961 13.0086 -54.1962 29.845 37.4996 13.0086 37.4996 4.86711 GPRESSAVG: 901600 -42.3266 -56.0914 15.0185 -53.6972 30.4741 36.896 13.8812 38.4404 3.11275 TIMING: 901600 CPU: 2910.91, 0.00313669/step Wall: 2910.91, 0.00313669/step, 3.57095 hours remaining, 231.015625 MB of memory in use. ENERGY: 901600 3890.0211 20537.5649 14503.4742 272.7749 -203490.5095 2507.6894 0.0000 0.0000 51810.4291 -109968.5559 297.7552 -161778.9850 -109614.3288 298.8516 -67.1130 -42.1967 760387.0546 -2.7588 -2.9132 PRESSURE: 901800 23.5234 2.34735 181.751 2.34834 338.019 241.906 181.751 241.906 409.945 GPRESSURE: 901800 95.4794 -65.7784 175.065 18.0089 387.571 190.623 121.584 205.726 409.408 PRESSAVG: 901800 -24.3586 -43.673 23.8953 -43.6729 53.911 31.0916 23.8953 31.0916 11.8382 GPRESSAVG: 901800 -24.4641 -40.5689 22.336 -45.4798 54.3004 32.5493 22.446 29.753 11.3774 TIMING: 901800 CPU: 2911.54, 0.00313937/step Wall: 2911.54, 0.00313937/step, 3.57382 hours remaining, 231.015625 MB of memory in use. ENERGY: 901800 3974.7852 20688.3109 14397.6533 261.2513 -203898.9725 2795.3656 0.0000 0.0000 51951.9931 -109829.6131 298.5688 -161781.6062 -109476.7642 298.7055 257.1624 297.4861 760588.4820 13.7969 13.7379 PRESSURE: 902000 39.8375 -18.6307 100.687 -18.6304 -259.81 -101.295 100.688 -101.294 -132.976 GPRESSURE: 902000 64.4661 -129.933 141.215 -60.8945 -200.492 -39.9477 90.8647 2.19612 -126.978 PRESSAVG: 902000 -82.849 -54.7149 54.1988 -54.7149 43.2025 49.2498 54.1988 49.2498 13.8641 GPRESSAVG: 902000 -83.163 -56.591 53.2264 -51.8299 41.9255 49.7473 56.0893 47.8744 15.3753 TIMING: 902000 CPU: 2912.17, 0.00315226/step Wall: 2912.17, 0.00315226/step, 3.58833 hours remaining, 231.015625 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: 902000 3996.3047 20574.4070 14488.7085 237.8491 -203806.3632 2500.2964 0.0000 0.0000 52358.6607 -109650.1367 300.9059 -162008.7974 -109278.2796 299.0316 -117.6494 -87.6682 758756.4486 -8.5941 -8.6207 PRESSURE: 902200 -155.745 -213.022 132.686 -213.022 294.846 -101.366 132.686 -101.365 220.432 GPRESSURE: 902200 -34.7547 -231.407 198.531 -69.7238 244.294 -173.782 70.2903 -65.0423 216.17 PRESSAVG: 902200 -53.6741 -25.4231 21.7033 -25.423 53.3687 -4.34244 21.7033 -4.3424 21.1758 GPRESSAVG: 902200 -51.8869 -24.1031 23.2188 -27.3374 53.0732 -6.11545 19.2349 -3.45185 19.7497 TIMING: 902200 CPU: 2912.8, 0.0031486/step Wall: 2912.8, 0.0031486/step, 3.58398 hours remaining, 231.015625 MB of memory in use. ENERGY: 902200 3908.0132 20668.1560 14485.0068 253.7763 -203579.3433 2345.1221 0.0000 0.0000 52273.1135 -109646.1553 300.4143 -161919.2688 -109278.8601 299.8203 119.8440 141.9032 758741.2433 6.9568 6.9787 PRESSURE: 902400 -136.594 -215.491 -36.1551 -215.491 97.6129 -31.7389 -36.1548 -31.7391 -361.296 GPRESSURE: 902400 -212.83 -143.157 -25.1672 -106.386 188.331 -65.5323 -114.655 -45.2143 -299.492 PRESSAVG: 902400 -72.3382 -17.428 27.3049 -17.4281 90.8798 42.497 27.3049 42.497 4.6328 GPRESSAVG: 902400 -75.0333 -19.1911 27.5119 -14.8644 90.7942 42.4534 29.3391 44.0793 7.36521 TIMING: 902400 CPU: 2913.43, 0.00315969/step Wall: 2913.43, 0.00315969/step, 3.59642 hours remaining, 231.015625 MB of memory in use. ENERGY: 902400 3968.5025 20599.0787 14536.6261 265.7671 -203562.8615 2692.5601 0.0000 0.0000 51755.4564 -109744.8706 297.4393 -161500.3270 -109376.3596 299.6162 -133.4257 -107.9970 760008.7614 7.7248 7.7087 PRESSURE: 902600 138.764 138.322 -118.368 138.322 -186.273 137.482 -118.368 137.484 229.959 GPRESSURE: 902600 125.722 48.6576 -57.4596 162.784 -62.3798 121.983 -78.5938 95.5511 232.487 PRESSAVG: 902600 -28.8007 1.42891 13.3604 1.42888 61.8602 22.8184 13.3605 22.8184 -2.48505 GPRESSAVG: 902600 -26.5574 2.61176 12.5363 -0.69913 63.3362 24.3625 12.9052 21.9706 -5.24509 TIMING: 902600 CPU: 2914.06, 0.003178/step Wall: 2914.06, 0.003178/step, 3.6171 hours remaining, 231.015625 MB of memory in use. ENERGY: 902600 4002.6627 20514.7333 14414.6453 281.7492 -203706.6419 2633.7285 0.0000 0.0000 52108.4202 -109750.7029 299.4678 -161859.1230 -109384.4355 299.5192 60.8167 98.6098 758523.1402 10.1915 10.5112 PRESSURE: 902800 -187.285 -145.207 -195.242 -145.207 -201.931 156.445 -195.243 156.444 -431.594 GPRESSURE: 902800 -160.012 -109.698 -255.971 -207.741 -239.679 82.2375 -155.208 130.9 -335.183 PRESSAVG: 902800 -25.6088 -77.9293 -17.5839 -77.9293 23.3481 37.7491 -17.5839 37.7492 2.98488 GPRESSAVG: 902800 -25.8074 -78.341 -17.8132 -77.2238 22.2876 35.7318 -18.7903 37.5142 4.10172 TIMING: 902800 CPU: 2914.7, 0.00317532/step Wall: 2914.7, 0.00317532/step, 3.61387 hours remaining, 231.015625 MB of memory in use. ENERGY: 902800 4100.8664 20574.2080 14445.9870 258.0392 -203772.2542 2624.9376 0.0000 0.0000 52058.9935 -109709.2224 299.1838 -161768.2160 -109347.7498 298.9775 -273.6036 -244.9580 760015.0677 0.2414 0.1940 PRESSURE: 903000 -398.261 -20.7892 -32.9661 -20.789 -80.1019 -44.6462 -32.9661 -44.6466 -104.393 GPRESSURE: 903000 -424.606 -49.8169 -12.1352 78.0505 -48.1289 41.2696 -47.4344 -109.763 -35.0611 PRESSAVG: 903000 -3.52181 -3.88818 -1.95346 -3.88816 18.2304 12.3917 -1.95342 12.3917 -4.56114 GPRESSAVG: 903000 -5.89201 -2.57533 -1.82022 -5.02165 20.3727 14.4333 -3.08723 12.6773 -4.08961 TIMING: 903000 CPU: 2915.33, 0.00315162/step Wall: 2915.33, 0.00315162/step, 3.58672 hours remaining, 231.015625 MB of memory in use. ENERGY: 903000 4027.9207 20570.8393 14382.2734 239.0006 -202905.4771 2052.2444 0.0000 0.0000 52127.6166 -109505.5821 299.5781 -161633.1987 -109142.3126 299.9400 -194.2521 -169.2654 761022.8530 3.3825 3.4637 PRESSURE: 903200 -27.6622 -16.2075 7.05055 -16.2077 -53.2509 -148.334 7.05067 -148.333 85.9556 GPRESSURE: 903200 7.16201 8.19006 17.8344 21.474 -45.9424 -110.995 -113.989 -90.882 130.751 PRESSAVG: 903200 -14.3262 4.84299 39.9211 4.84299 -33.6414 60.9371 39.9211 60.9372 13.1593 GPRESSAVG: 903200 -12.3067 3.1157 40.4745 5.5662 -35.4937 59.8034 42.3475 60.5489 12.7069 TIMING: 903200 CPU: 2915.97, 0.0031875/step Wall: 2915.97, 0.0031875/step, 3.62738 hours remaining, 231.015625 MB of memory in use. ENERGY: 903200 4014.9667 20529.1539 14437.1381 252.5169 -202821.2419 2154.6684 0.0000 0.0000 51906.0336 -109526.7643 298.3047 -161432.7979 -109160.7236 299.6520 1.6808 30.6570 760333.8619 -11.6028 -11.6979 PRESSURE: 903400 -170.392 124.392 89.7386 124.392 -72.6676 136.085 89.7385 136.085 -182.586 GPRESSURE: 903400 -144.591 149.155 -5.13754 40.8585 26.4134 145.526 78.4649 173.412 -221.551 PRESSAVG: 903400 16.3671 3.80608 -24.8855 3.8061 -14.2546 37.3938 -24.8855 37.3937 4.76676 GPRESSAVG: 903400 17.2359 2.57856 -25.4549 3.50035 -12.7697 37.6769 -25.9806 37.3041 2.58405 TIMING: 903400 CPU: 2916.6, 0.00318059/step Wall: 2916.6, 0.00318059/step, 3.61933 hours remaining, 231.015625 MB of memory in use. ENERGY: 903400 3989.1568 20350.8826 14407.6362 235.5135 -203544.8717 2522.9944 0.0000 0.0000 52255.8223 -109782.8658 300.3149 -162038.6881 -109413.9599 299.4498 -141.8819 -113.2429 760742.2638 2.2931 2.3501 PRESSURE: 903600 -196.554 -2.32124 75.1495 -2.32191 -65.88 80.666 75.1501 80.6652 -391.805 GPRESSURE: 903600 -87.4449 -15.8604 15.8616 -87.8638 -120.722 92.0497 120.213 73.1689 -348.519 PRESSAVG: 903600 -33.5605 -9.75295 28.0611 -9.75298 -4.00483 33.6409 28.061 33.6409 -15.3712 GPRESSAVG: 903600 -33.1169 -8.69357 26.9308 -10.7294 -6.06322 33.2083 27.8563 34.13 -13.7261 TIMING: 903600 CPU: 2917.24, 0.00319058/step Wall: 2917.24, 0.00319058/step, 3.63052 hours remaining, 231.015625 MB of memory in use. ENERGY: 903600 4063.7240 20666.4767 14408.7957 242.3498 -203539.9443 2483.4856 0.0000 0.0000 51920.8828 -109754.2298 298.3900 -161675.1126 -109395.6651 299.1926 -218.0796 -185.5618 760524.0842 -17.6455 -17.6354 PRESSURE: 903800 304.021 -96.5334 73.9468 -96.5336 87.1068 78.7641 73.9465 78.7652 -21.0599 GPRESSURE: 903800 259.622 -124.326 108.229 -55.2377 172.634 112.324 43.4805 7.88308 11.9075 PRESSAVG: 903800 31.4443 -9.11704 17.9439 -9.11704 8.93417 53.1153 17.9438 53.1153 -27.8018 GPRESSAVG: 903800 31.0322 -9.81985 19.1603 -7.12805 10.0301 53.0816 18.7348 50.6708 -28.0476 TIMING: 903800 CPU: 2917.87, 0.00314356/step Wall: 2917.87, 0.00314356/step, 3.57684 hours remaining, 231.015625 MB of memory in use. ENERGY: 903800 4009.9987 20575.8828 14439.1788 245.1161 -204079.3539 2987.0162 0.0000 0.0000 52027.3819 -109794.7794 299.0021 -161822.1613 -109434.0140 299.3328 123.3560 148.0545 759422.1138 4.1922 4.3382 PRESSURE: 904000 239.765 -250.629 -13.5141 -250.628 251.884 87.8209 -13.5143 87.8215 245.917 GPRESSURE: 904000 223.146 -210.986 -24.7318 -176.582 333.053 103.26 13.4989 37.427 269.067 PRESSAVG: 904000 -31.4469 -80.6992 9.55807 -80.6992 4.68436 29.2465 9.55812 29.2465 -1.73419 GPRESSAVG: 904000 -32.038 -79.4984 9.50516 -82.2913 4.12864 30.4547 8.89927 30.3895 -0.408707 TIMING: 904000 CPU: 2918.5, 0.00316702/step Wall: 2918.5, 0.00316702/step, 3.60336 hours remaining, 231.015625 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: 904000 3935.0321 20524.5620 14457.2738 240.4060 -203612.8918 2881.9093 0.0000 0.0000 51848.2630 -109725.4456 297.9727 -161573.7086 -109367.4400 298.7330 245.8553 275.0890 761282.7104 -9.4989 -9.4394 PRESSURE: 904200 -39.7268 -136.623 216.668 -136.623 -219.484 8.64048 216.667 8.64144 102.747 GPRESSURE: 904200 -2.06226 -123.435 219.398 -68.9031 -184.05 58.5746 86.0069 62.3512 119.946 PRESSAVG: 904200 -32.7994 -48.2301 7.30614 -48.2301 30.6897 -10.8382 7.30622 -10.8382 15.0345 GPRESSAVG: 904200 -32.4598 -50.2941 7.79422 -46.2828 30.4533 -13.0049 4.90029 -8.83232 14.5831 TIMING: 904200 CPU: 2919.14, 0.00317023/step Wall: 2919.14, 0.00317023/step, 3.60684 hours remaining, 231.015625 MB of memory in use. ENERGY: 904200 3962.6626 20491.2613 14456.3623 256.3030 -203472.2694 2670.8881 0.0000 0.0000 52040.5652 -109594.2268 299.0778 -161634.7921 -109231.5722 299.3763 -52.1547 -22.0555 761011.3157 4.3083 4.1922 LDB: ============= START OF LOAD BALANCING ============== 2931.56 LDB: ============== END OF LOAD BALANCING =============== 2931.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2931.56 LDB: ============= START OF LOAD BALANCING ============== 2931.88 LDB: Largest compute 7075 load 0.039333 is 20.1% of average load 0.195392 LDB: Average compute 0.004412 is 2.3% of average load 0.195392 LDB: TIME 2931.88 LOAD: AVG 0.195392 MAX 0.212541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.348 MB LDB: TIME 2931.88 LOAD: AVG 0.195392 MAX 0.212541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.348 MB LDB: TIME 2931.88 LOAD: AVG 0.195392 MAX 0.212541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.348 MB LDB: ============== END OF LOAD BALANCING =============== 2931.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2931.89 PRESSURE: 904400 -357.857 -117.613 -132.382 -117.613 1.66848 325.119 -132.382 325.12 281.761 GPRESSURE: 904400 -324.055 -82.2212 -124.089 -68.6839 35.7995 302.401 -162.251 181.718 303.562 PRESSAVG: 904400 -7.48916 42.8776 8.67042 42.8775 39.9227 51.3473 8.67044 51.3473 1.50109 GPRESSAVG: 904400 -6.45926 45.3694 7.03522 41.825 40.3564 53.583 9.5949 48.8003 -0.0434328 TIMING: 904400 CPU: 2919.78, 0.00322487/step Wall: 2919.78, 0.00322487/step, 3.66883 hours remaining, 231.328125 MB of memory in use. ENERGY: 904400 3993.3561 20585.8918 14422.4403 246.3213 -203510.8129 2674.9407 0.0000 0.0000 52106.7712 -109481.0915 299.4583 -161587.8627 -109115.1551 299.6755 -24.8091 5.1023 762011.9802 11.3116 11.2846 PRESSURE: 904600 292.334 -103.017 69.1331 -103.018 224.38 148.223 69.1338 148.223 381.339 GPRESSURE: 904600 339.262 -134.002 -25.2805 -99.4184 268.72 133.284 125.897 127.145 363.764 PRESSAVG: 904600 -12.3589 -16.9576 7.47159 -16.9576 10.3804 68.9701 7.47155 68.9701 5.50216 GPRESSAVG: 904600 -13.7018 -20.0365 8.21201 -16.4161 10.6981 68.1752 10.2517 70.0828 6.43034 TIMING: 904600 CPU: 2920.41, 0.00314499/step Wall: 2920.41, 0.00314499/step, 3.57778 hours remaining, 231.585938 MB of memory in use. ENERGY: 904600 3921.2334 20595.7437 14492.5810 242.7427 -203329.1828 2661.7942 0.0000 0.0000 51898.0081 -109517.0797 298.2586 -161415.0879 -109152.8304 299.1289 299.3511 323.9154 760209.5898 1.1745 1.1422 PRESSURE: 904800 104.657 -71.3693 -30.5733 -71.3693 81.3385 -22.5528 -30.5726 -22.5516 -412.039 GPRESSURE: 904800 63.264 -162.946 -16.8242 -93.5878 147.674 -153.442 -39.8538 68.9742 -342.301 PRESSAVG: 904800 51.745 -40.7698 -24.4091 -40.7698 12.9169 55.0008 -24.4091 55.0008 14.0434 GPRESSAVG: 904800 52.1118 -40.3247 -24.9397 -41.8718 12.6837 54.7045 -25.925 55.5628 13.5081 TIMING: 904800 CPU: 2921.04, 0.0031438/step Wall: 2921.04, 0.0031438/step, 3.57625 hours remaining, 231.585938 MB of memory in use. ENERGY: 904800 3877.9897 20398.4156 14450.1058 243.1488 -203753.1319 2766.3084 0.0000 0.0000 52316.7868 -109700.3768 300.6653 -162017.1636 -109328.5046 299.4139 -75.3480 -43.7877 760518.5815 26.2351 26.1012 PRESSURE: 905000 330.776 19.6103 -199.48 19.6106 237.933 17.1978 -199.481 17.1975 115.275 GPRESSURE: 905000 369.313 -159.576 -239.341 -64.1107 316.295 9.56329 -46.1182 86.3903 85.1738 PRESSAVG: 905000 41.9333 -2.42733 -1.70235 -2.42736 -5.69611 48.0823 -1.70235 48.0823 17.6887 GPRESSAVG: 905000 41.0884 -1.29872 -2.50144 -3.54305 -4.77358 47.9974 -0.174928 46.9035 17.8715 TIMING: 905000 CPU: 2921.67, 0.00316321/step Wall: 2921.67, 0.00316321/step, 3.59816 hours remaining, 231.640625 MB of memory in use. ENERGY: 905000 3949.8918 20543.5330 14548.6310 252.6671 -203705.1971 2670.0375 0.0000 0.0000 52034.0843 -109706.3524 299.0406 -161740.4367 -109337.6980 299.0002 227.9947 256.9275 760560.1439 17.9753 18.0621 PRESSURE: 905200 19.6817 59.946 84.3787 59.946 138.506 87.9936 84.3786 87.9948 110.956 GPRESSURE: 905200 186.449 -63.046 30.7107 56.0718 146.004 89.2671 140.614 233.597 39.4014 PRESSAVG: 905200 12.3985 -12.5366 -34.8894 -12.5366 -17.7439 -1.64966 -34.8894 -1.64964 0.480205 GPRESSAVG: 905200 13.8327 -11.6412 -34.4146 -12.1373 -18.5388 -1.54704 -36.0991 -0.890632 0.126544 TIMING: 905200 CPU: 2922.3, 0.00313937/step Wall: 2922.3, 0.00313937/step, 3.57086 hours remaining, 231.640625 MB of memory in use. ENERGY: 905200 3947.0263 20521.9714 14479.7125 260.7522 -203430.7096 2530.4751 0.0000 0.0000 51901.6694 -109789.1028 298.2796 -161690.7722 -109433.8640 298.6327 89.7148 123.9517 761874.9955 -1.6218 -1.5265 PRESSURE: 905400 -223.151 -171.45 20.542 -171.449 198.551 64.138 20.5424 64.1384 -85.8945 GPRESSURE: 905400 -140.076 -93.7414 -71.2338 -190.344 211.704 80.3463 119.766 -67.2292 -107.247 PRESSAVG: 905400 25.863 -19.4692 -15.3542 -19.4692 10.5783 8.53786 -15.3542 8.53791 9.65318 GPRESSAVG: 905400 25.1674 -19.3882 -15.4699 -19.1295 11 9.6332 -14.9972 7.99335 9.83984 TIMING: 905400 CPU: 2922.94, 0.00317537/step Wall: 2922.94, 0.00317537/step, 3.61163 hours remaining, 231.640625 MB of memory in use. ENERGY: 905400 3997.5718 20535.4449 14420.9044 248.7015 -203582.2885 2450.0385 0.0000 0.0000 51976.4938 -109953.1336 298.7096 -161929.6274 -109594.4867 299.1337 -36.8316 -11.8729 760412.7134 15.3649 15.3357 PRESSURE: 905600 -55.2562 69.0691 90.4221 69.069 87.0047 107.655 90.422 107.655 -171.331 GPRESSURE: 905600 -143.523 -8.08158 111.134 30.6173 118.407 47.3519 125.782 173.276 -10.9979 PRESSAVG: 905600 -34.0142 -47.1022 -29.4027 -47.1022 44.5602 39.1177 -29.4028 39.1176 2.52241 GPRESSAVG: 905600 -34.4296 -45.6114 -30.1207 -46.5858 45.3777 37.8153 -30.0723 38.8659 2.41932 TIMING: 905600 CPU: 2923.57, 0.00319204/step Wall: 2923.57, 0.00319204/step, 3.63041 hours remaining, 231.640625 MB of memory in use. ENERGY: 905600 3930.3677 20412.0158 14403.1362 250.8582 -203293.5264 2349.1663 0.0000 0.0000 51932.7747 -110015.2075 298.4584 -161947.9823 -109659.0403 298.9246 -46.5274 -12.0378 759815.0109 4.3561 4.4558 PRESSURE: 905800 198.624 -14.5086 33.3012 -14.5092 -177.814 218.963 33.3014 218.962 -245.183 GPRESSURE: 905800 190.895 -80.7495 34.8281 -48.1466 -139.811 297.436 71.847 180.849 -181.892 PRESSAVG: 905800 26.5425 -69.5592 22.9455 -69.5592 -22.6127 17.4183 22.9454 17.4183 9.32444 GPRESSAVG: 905800 27.018 -71.7351 23.7762 -69.1311 -22.9542 17.1643 24.9902 18.786 8.7638 TIMING: 905800 CPU: 2924.21, 0.00316422/step Wall: 2924.21, 0.00316422/step, 3.5986 hours remaining, 231.640625 MB of memory in use. ENERGY: 905800 3985.7979 20421.3866 14403.5693 255.2388 -203671.6302 2537.9471 0.0000 0.0000 51813.6278 -110254.0627 297.7736 -162067.6905 -109892.5292 298.4745 -74.7911 -43.6025 758143.1928 4.4181 4.2759 PRESSURE: 906000 129.699 21.236 -10.3048 21.2356 249.287 -58.6912 -10.3045 -58.6915 233.977 GPRESSURE: 906000 222.211 -21.4849 7.47209 120.587 312.035 -72.7348 5.89021 -62.4968 152.831 PRESSAVG: 906000 -13.8956 30.1849 -22.2563 30.1848 18.5878 0.323779 -22.2564 0.323852 9.42482 GPRESSAVG: 906000 -14.0759 30.6839 -21.0876 30.7236 17.6227 1.67142 -25.2814 0.0417939 9.73193 TIMING: 906000 CPU: 2924.84, 0.00315214/step Wall: 2924.84, 0.00315214/step, 3.58468 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 906000 3942.9135 20403.2975 14438.0841 242.6555 -203603.8438 2537.6571 0.0000 0.0000 51691.5619 -110347.6741 297.0721 -162039.2360 -109984.5086 297.9417 204.3211 229.0258 759546.3406 4.7057 4.4262 PRESSURE: 906200 86.6767 -124.231 -62.8866 -124.232 -325.828 83.7936 -62.8859 83.7942 -218.197 GPRESSURE: 906200 81.8923 -32.7543 -101.982 -109.087 -291.012 113.891 50.8705 69.1846 -165.55 PRESSAVG: 906200 -105.614 25.3785 -33.2701 25.3786 100.726 -60.3931 -33.2701 -60.393 9.53142 GPRESSAVG: 906200 -105.196 26.5872 -32.482 24.0591 100.024 -60.8902 -33.4548 -60.0421 9.67298 TIMING: 906200 CPU: 2925.47, 0.00314094/step Wall: 2925.47, 0.00314094/step, 3.57177 hours remaining, 231.640625 MB of memory in use. ENERGY: 906200 3907.1188 20496.7725 14440.1715 241.9264 -203658.6641 2458.3037 0.0000 0.0000 51789.7479 -110324.6232 297.6364 -162114.3711 -109967.5779 297.8152 -152.4493 -124.8898 758077.0132 1.5480 1.5005 PRESSURE: 906400 -14.2633 58.5936 70.0647 58.5932 247.604 111.745 70.0666 111.744 13.4525 GPRESSURE: 906400 3.03835 36.9722 -10.8127 -46.8208 318.617 103.645 88.1006 -10.9571 4.72043 PRESSAVG: 906400 -6.82478 -29.4145 -11.3141 -29.4146 43.3182 -78.5868 -11.3142 -78.5867 3.34857 GPRESSAVG: 906400 -6.4843 -30.3246 -11.9213 -28.964 42.4194 -79.0413 -10.1498 -78.056 3.52392 TIMING: 906400 CPU: 2926.1, 0.00315448/step Wall: 2926.1, 0.00315448/step, 3.58699 hours remaining, 231.640625 MB of memory in use. ENERGY: 906400 3884.4082 20550.4675 14509.5183 257.1720 -203680.9689 2621.8624 0.0000 0.0000 51510.0962 -110347.4442 296.0292 -161857.5404 -109991.1854 297.9496 82.2643 108.7918 759690.8274 13.2807 13.1530 PRESSURE: 906600 168.821 101.109 -44.7636 101.109 -20.3219 2.08728 -44.7637 2.08768 93.0036 GPRESSURE: 906600 173.919 -9.21772 -22.8956 -11.4608 34.0406 45.1577 -108.637 58.35 115.96 PRESSAVG: 906600 -8.19986 -16.0316 -9.07405 -16.0315 -1.88961 -6.44061 -9.07401 -6.44063 -28.0163 GPRESSAVG: 906600 -8.61554 -19.0396 -8.80329 -16.0744 -1.7558 -6.90061 -7.81179 -5.33154 -27.5613 TIMING: 906600 CPU: 2926.73, 0.00316634/step Wall: 2926.73, 0.00316634/step, 3.6003 hours remaining, 231.640625 MB of memory in use. ENERGY: 906600 3916.8651 20654.8246 14428.1063 233.3971 -203883.4509 2754.8046 0.0000 0.0000 51728.8308 -110166.6226 297.2863 -161895.4534 -109816.0982 297.8739 80.5008 107.9731 758091.8699 -12.7019 -12.6442 PRESSURE: 906800 -49.9542 45.973 -69.2705 45.9734 -591.634 71.2299 -69.2704 71.2293 169.679 GPRESSURE: 906800 -105.72 78.4024 -12.1085 144.834 -508.654 124.182 -74.6936 67.1151 227.147 PRESSAVG: 906800 -70.8376 -5.32717 -23.7545 -5.32722 36.4971 33.6539 -23.7545 33.6538 6.72164 GPRESSAVG: 906800 -71.4255 -5.31796 -25.3223 -2.79167 37.828 34.1949 -23.7351 32.988 5.52261 TIMING: 906800 CPU: 2927.36, 0.00316643/step Wall: 2927.36, 0.00316643/step, 3.60023 hours remaining, 231.640625 MB of memory in use. ENERGY: 906800 3939.4098 20465.4877 14391.1994 243.7196 -203900.4709 2413.8576 0.0000 0.0000 52384.1798 -110062.6169 301.0526 -162446.7968 -109692.2269 298.7611 -157.3031 -129.0756 759629.1250 -9.2063 -9.3583 PRESSURE: 907000 63.7889 129.474 182.09 129.474 67.5432 -13.7036 182.09 -13.7033 32.9684 GPRESSURE: 907000 137.607 11.234 250.955 129.928 126.908 -79.2307 66.1969 -24.2094 -18.8804 PRESSAVG: 907000 -12.2403 -12.2968 -4.8542 -12.2968 30.5527 12.9742 -4.85425 12.9742 9.16148 GPRESSAVG: 907000 -11.9915 -9.87671 -3.71493 -14.6273 29.5681 13.0073 -5.44865 12.7003 9.91616 TIMING: 907000 CPU: 2927.99, 0.00315193/step Wall: 2927.99, 0.00315193/step, 3.58357 hours remaining, 231.640625 MB of memory in use. ENERGY: 907000 3974.2273 20407.7544 14376.2465 233.9585 -203772.6381 2573.4450 0.0000 0.0000 52263.1493 -109943.8573 300.3570 -162207.0065 -109577.5132 298.9984 54.7668 81.8781 759119.7954 9.1580 9.1642 PRESSURE: 907200 31.7592 -162.258 243.757 -162.259 10.2405 -79.4332 243.756 -79.433 42.1632 GPRESSURE: 907200 147.697 -181.257 169.384 -51.9147 -39.4589 -116.151 343.602 -25.8347 52.1455 PRESSAVG: 907200 -70.8303 -32.8147 37.8194 -32.8147 27.861 0.583147 37.8194 0.583055 14.3702 GPRESSAVG: 907200 -71.9221 -35.2187 36.3615 -30.1357 28.5814 -0.0325316 38.2497 -0.834032 14.541 TIMING: 907200 CPU: 2928.63, 0.00317001/step Wall: 2928.63, 0.00317001/step, 3.60395 hours remaining, 231.640625 MB of memory in use. ENERGY: 907200 3912.4593 20474.2548 14491.6287 244.2839 -203674.1217 2613.1081 0.0000 0.0000 51983.3733 -109955.0136 298.7492 -161938.3869 -109589.0687 298.6108 28.0543 53.4610 759769.3570 -9.5330 -9.5999 PRESSURE: 907400 -27.4765 -37.9253 -39.4307 -37.9256 106.724 136.737 -39.4307 136.735 -146.695 GPRESSURE: 907400 21.7812 -129.669 -27.9414 -39.245 156.589 79.4383 -14.5659 151.702 -142.141 PRESSAVG: 907400 39.3474 -12.3086 20.6634 -12.3087 3.05226 -5.89083 20.6634 -5.89085 16.0292 GPRESSAVG: 907400 40.1347 -10.6012 20.452 -14.2236 2.94768 -5.25946 22.6402 -4.27347 15.2483 TIMING: 907400 CPU: 2929.26, 0.00315294/step Wall: 2929.26, 0.00315294/step, 3.58437 hours remaining, 231.640625 MB of memory in use. ENERGY: 907400 3922.9842 20425.9421 14482.0615 243.4901 -203672.0175 2746.8269 0.0000 0.0000 51753.8539 -110096.8588 297.4301 -161850.7127 -109730.7478 298.6563 -22.4826 12.0764 760541.5083 19.4763 19.4435 PRESSURE: 907600 142.4 178.693 -173.746 178.692 157.049 -31.8267 -173.745 -31.8252 271.656 GPRESSURE: 907600 166.615 123.324 -215.284 83.2142 165.548 -84.0533 -154.32 -25.0157 347.284 PRESSAVG: 907600 26.1658 9.917 -22.9701 9.91701 -25.0532 -56.4341 -22.97 -56.434 7.25955 GPRESSAVG: 907600 26.6703 10.0625 -21.8244 11.165 -24.8529 -57.3483 -25.7577 -57.8372 6.49678 TIMING: 907600 CPU: 2929.89, 0.00316328/step Wall: 2929.89, 0.00316328/step, 3.59594 hours remaining, 231.640625 MB of memory in use. ENERGY: 907600 4045.4166 20292.2167 14499.5918 240.3900 -203661.7100 2649.0446 0.0000 0.0000 51940.4182 -109994.6321 298.5023 -161935.0503 -109633.7366 298.4191 190.3684 226.4823 760633.2320 2.7907 2.7714 PRESSURE: 907800 123.885 -13.3342 48.3565 -13.3343 -1.78199 45.1795 48.3571 45.1801 485.077 GPRESSURE: 907800 104.082 -90.2752 -26.4351 41.2142 56.694 88.5834 7.25246 54.3096 519.772 PRESSAVG: 907800 -55.8893 -56.8645 28.8691 -56.8645 10.827 12.7496 28.8692 12.7497 -8.33018 GPRESSAVG: 907800 -56.4938 -58.1573 27.1005 -58.4722 9.93686 14.6689 30.2321 13.1264 -6.78431 TIMING: 907800 CPU: 2930.52, 0.00315841/step Wall: 2930.52, 0.00315841/step, 3.59024 hours remaining, 231.640625 MB of memory in use. ENERGY: 907800 3891.0950 20479.1735 14397.3560 256.0026 -203737.8282 2668.8775 0.0000 0.0000 51902.3934 -110142.9302 298.2838 -162045.3237 -109772.2558 298.3740 202.3936 226.8492 759761.0023 -17.7975 -17.7804 PRESSURE: 908000 -23.5845 -86.3117 110.053 -86.3123 69.633 -138.693 110.053 -138.693 -244.827 GPRESSURE: 908000 -1.0999 22.9073 70.3045 -52.9688 97.7939 -219.99 139.501 -58.1568 -214.214 PRESSAVG: 908000 16.4361 -54.9287 -18.5317 -54.9288 -19.4601 -25.4841 -18.5316 -25.4841 -2.25566 GPRESSAVG: 908000 16.6913 -51.9536 -16.1251 -54.6608 -20.453 -25.749 -20.459 -25.0384 -1.59656 TIMING: 908000 CPU: 2931.15, 0.00315047/step Wall: 2931.15, 0.00315047/step, 3.58104 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 908000 3975.1132 20299.4211 14438.2105 250.1537 -203293.9075 2369.1841 0.0000 0.0000 52007.9643 -109953.8607 298.8905 -161961.8250 -109590.3831 298.6490 -66.2596 -39.1734 760353.4250 -1.7599 -1.7861 PRESSURE: 908200 -90.6133 25.8765 29.8787 25.8773 -148.393 76.3314 29.8792 76.3328 385.413 GPRESSURE: 908200 -14.0571 -11.9255 -20.4271 43.2241 -93.1473 36.6143 -21.7935 -50.1982 343.036 PRESSAVG: 908200 -4.63277 -36.8214 -18.6624 -36.8214 -9.41432 -42.0065 -18.6624 -42.0064 -10.7495 GPRESSAVG: 908200 -5.22119 -37.9314 -19.9368 -36.3881 -6.82297 -43.7756 -18.3535 -43.2628 -12.763 TIMING: 908200 CPU: 2931.78, 0.00315843/step Wall: 2931.78, 0.00315843/step, 3.5899 hours remaining, 231.640625 MB of memory in use. ENERGY: 908200 4016.6008 20305.6856 14544.4344 256.4619 -203955.9307 2775.6250 0.0000 0.0000 51907.0635 -110150.0594 298.3106 -162057.1229 -109789.2402 298.4148 48.8025 78.6104 760375.5489 -8.2655 -8.2691 LDB: ============= START OF LOAD BALANCING ============== 2944.21 LDB: ============== END OF LOAD BALANCING =============== 2944.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2944.21 LDB: ============= START OF LOAD BALANCING ============== 2944.52 LDB: Largest compute 7075 load 0.038498 is 19.7% of average load 0.195493 LDB: Average compute 0.004389 is 2.2% of average load 0.195493 LDB: TIME 2944.52 LOAD: AVG 0.195493 MAX 0.217021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.848 MB LDB: TIME 2944.52 LOAD: AVG 0.195493 MAX 0.217021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.918 MB LDB: TIME 2944.52 LOAD: AVG 0.195493 MAX 0.217021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.918 MB LDB: ============== END OF LOAD BALANCING =============== 2944.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2944.53 PRESSURE: 908400 -180.761 6.67517 -3.46608 6.67532 37.635 -112.904 -3.46597 -112.904 -163.172 GPRESSURE: 908400 -120.572 -137.624 -43.0675 51.3964 27.0311 -154.344 48.7971 -17.2112 -129.28 PRESSAVG: 908400 -3.3316 -54.7388 20.563 -54.7388 13.4545 -49.1766 20.5631 -49.1767 -36.722 GPRESSAVG: 908400 -2.14016 -55.6846 20.0311 -55.6189 10.8481 -49.0435 21.9518 -47.3038 -35.7459 TIMING: 908400 CPU: 2932.43, 0.00320039/step Wall: 2932.43, 0.00320039/step, 3.63742 hours remaining, 231.585938 MB of memory in use. ENERGY: 908400 3938.6936 20580.8342 14469.2252 252.7198 -203365.8951 2318.4250 0.0000 0.0000 51728.2763 -110077.7210 297.2831 -161805.9972 -109719.7083 297.9899 -102.0991 -74.2737 760595.4535 -8.8664 -9.0127 PRESSURE: 908600 277.26 99.7467 -86.1907 99.748 555.062 -326.548 -86.1908 -326.549 -69.7301 GPRESSURE: 908600 220.19 171.275 -82.8662 18.5175 613.878 -314.84 -162.777 -353.331 19.0416 PRESSAVG: 908600 -0.248885 -25.9742 -54.6195 -25.9742 33.5721 -25.8277 -54.6195 -25.8277 14.0964 GPRESSAVG: 908600 -0.0313922 -25.9838 -56.5168 -25.6773 34.5597 -26.1467 -53.7671 -24.8583 12.8086 TIMING: 908600 CPU: 2933.05, 0.00312841/step Wall: 2933.05, 0.00312841/step, 3.55544 hours remaining, 231.710938 MB of memory in use. ENERGY: 908600 3895.2330 20559.9213 14438.4154 255.8818 -203917.3096 2728.6079 0.0000 0.0000 51980.2511 -110058.9990 298.7312 -162039.2501 -109705.1231 298.4797 254.1974 284.3699 760378.9312 15.8065 15.7790 PRESSURE: 908800 -33.7177 9.78199 87.8584 9.78201 258.071 265.993 87.8583 265.993 297.933 GPRESSURE: 908800 48.5919 -87.6093 18.8291 94.7914 301.2 234.227 128.341 214.791 250.405 PRESSAVG: 908800 29.2762 10.4333 -9.84477 10.4332 27.7855 -12.328 -9.84476 -12.328 12.4421 GPRESSAVG: 908800 29.7993 11.5839 -7.46311 11.1647 27.0237 -9.93622 -11.5664 -14.9935 12.7085 TIMING: 908800 CPU: 2933.68, 0.00314976/step Wall: 2933.68, 0.00314975/step, 3.57952 hours remaining, 231.710938 MB of memory in use. ENERGY: 908800 3930.3708 20521.7353 14496.5352 262.7067 -203872.7057 2710.8631 0.0000 0.0000 51725.7924 -110224.7022 297.2688 -161950.4946 -109864.6765 298.4685 174.0954 200.0659 758976.4190 23.1679 23.1771 PRESSURE: 909000 -179.308 -43.925 12.6964 -43.9244 -362.46 167.087 12.6961 167.086 19.3086 GPRESSURE: 909000 -97.1329 21.2282 -74.4507 64.5105 -305.987 114.707 6.51717 65.6234 -10.4336 PRESSAVG: 909000 -14.1137 -6.55735 6.12914 -6.55742 33.0966 7.08644 6.12912 7.08641 11.1349 GPRESSAVG: 909000 -14.4676 -6.92928 6.2699 -7.15171 33.8695 5.13781 4.0972 6.72577 10.6112 TIMING: 909000 CPU: 2934.31, 0.00314806/step Wall: 2934.31, 0.00314806/step, 3.57742 hours remaining, 231.710938 MB of memory in use. ENERGY: 909000 3925.3774 20504.1435 14495.6411 249.3453 -203240.4782 2355.0212 0.0000 0.0000 51721.4121 -109989.5376 297.2437 -161710.9497 -109648.5899 298.1978 -174.1531 -137.8510 760456.8354 10.0393 10.0044 PRESSURE: 909200 -303.564 -349.215 1.91899 -349.215 -10.4623 -16.2569 1.91889 -16.2563 50.7707 GPRESSURE: 909200 -196.926 -158.889 18.4941 -263.314 -33.8273 -74.9282 -49.7716 48.3833 55.4457 PRESSAVG: 909200 -47.2735 -33.8822 -25.7541 -33.8822 3.87536 -11.7688 -25.7541 -11.7689 -39.0319 GPRESSAVG: 909200 -47.1169 -35.3817 -25.8118 -33.3301 3.49973 -12.2392 -23.5571 -8.89329 -38.3846 TIMING: 909200 CPU: 2934.94, 0.00316351/step Wall: 2934.94, 0.00316351/step, 3.5948 hours remaining, 231.710938 MB of memory in use. ENERGY: 909200 3988.2276 20391.6851 14508.5707 262.3006 -203391.8877 2325.7608 0.0000 0.0000 52129.4168 -109785.9259 299.5885 -161915.3427 -109428.5344 298.7207 -87.7518 -58.4358 760552.5362 -27.4767 -27.3339 PRESSURE: 909400 -611.417 -129.563 0.229321 -129.564 -91.5623 44.8533 0.228531 44.8529 -237.717 GPRESSURE: 909400 -559.09 -23.6062 104.123 -30.8352 -11.0111 33.8042 -66.0872 -25.6239 -296.138 PRESSAVG: 909400 16.3263 -74.8807 -20.3588 -74.8807 -26.6775 47.1864 -20.3588 47.1864 0.404731 GPRESSAVG: 909400 16.3637 -72.6217 -18.2386 -73.6804 -27.2145 47.9005 -20.9572 43.3909 0.00199887 TIMING: 909400 CPU: 2935.58, 0.00317853/step Wall: 2935.58, 0.00317853/step, 3.61169 hours remaining, 231.710938 MB of memory in use. ENERGY: 909400 4028.4506 20598.8006 14473.0893 240.0915 -203410.6149 2387.6097 0.0000 0.0000 51823.5984 -109858.9748 297.8309 -161682.5731 -109505.4417 298.3932 -313.5655 -288.7463 761565.2959 -3.3155 -3.6163 PRESSURE: 909600 -42.8439 -130.508 -199.494 -130.507 51.3459 -233.974 -199.494 -233.974 99.7375 GPRESSURE: 909600 5.83408 -56.4055 -173.69 -142.398 59.4314 -200.562 -133.034 -243.362 122.374 PRESSAVG: 909600 -22.6265 -71.4652 -36.262 -71.4652 54.7808 -32.2666 -36.262 -32.2665 12.8216 GPRESSAVG: 909600 -22.6782 -72.5717 -39.1117 -73.8479 55.2898 -31.3355 -34.692 -29.6588 12.1718 TIMING: 909600 CPU: 2936.21, 0.00317195/step Wall: 2936.21, 0.00317195/step, 3.60404 hours remaining, 231.710938 MB of memory in use. ENERGY: 909600 3927.3490 20584.0473 14396.2722 233.4133 -203122.9677 2357.3953 0.0000 0.0000 51779.4465 -109845.0440 297.5772 -161624.4905 -109482.6679 298.6096 36.0798 62.5465 761627.2838 14.9920 14.9278 PRESSURE: 909800 -103.719 168.34 -165.573 168.34 25.2682 -13.0357 -165.573 -13.0368 -358.772 GPRESSURE: 909800 -59.9966 124.983 -137.684 108.633 31.3217 -85.1844 -234.84 0.65248 -326.983 PRESSAVG: 909800 -15.6073 -10.1805 -67.2473 -10.1806 26.685 3.40683 -67.2472 3.40669 -11.6259 GPRESSAVG: 909800 -16.8578 -9.63183 -66.3141 -9.35495 26.9231 3.50307 -69.0695 3.83602 -10.5112 TIMING: 909800 CPU: 2936.85, 0.00318668/step Wall: 2936.85, 0.00318668/step, 3.6206 hours remaining, 231.710938 MB of memory in use. ENERGY: 909800 4073.2878 20549.8767 14562.2349 250.2030 -203431.9368 2364.8493 0.0000 0.0000 51931.1674 -109700.3179 298.4491 -161631.4853 -109341.4200 298.7911 -145.7410 -118.5527 760181.4501 -0.1827 -0.1486 PRESSURE: 910000 -390.833 -278.467 45.6876 -278.468 9.08514 15.8672 45.6877 15.8679 164.317 GPRESSURE: 910000 -331.638 -299.785 17.0363 -192.661 75.7513 10.0706 -42.4026 -32.9141 138.367 PRESSAVG: 910000 7.88638 -2.69217 -33.3323 -2.69206 -0.501617 39.8935 -33.3323 39.8935 3.82 GPRESSAVG: 910000 8.72932 -5.15598 -31.8878 -3.31684 -0.263448 39.9933 -33.2552 36.5976 2.27849 TIMING: 910000 CPU: 2937.49, 0.00317786/step Wall: 2937.49, 0.00317786/step, 3.61041 hours remaining, 231.710938 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: 910000 3959.1629 20441.4153 14433.6396 278.1352 -203532.3544 2513.9734 0.0000 0.0000 51865.2612 -110040.7668 298.0704 -161906.0280 -109674.9484 298.8633 -72.4770 -39.1732 760770.5897 3.7349 3.5815 PRESSURE: 910200 -213.915 4.5869 -114.422 4.58658 106.137 -177.042 -114.422 -177.042 -97.1439 GPRESSURE: 910200 -194.645 64.6474 -221.695 9.9762 108.434 -98.3642 -31.5516 -224.245 -25.3671 PRESSAVG: 910200 -23.15 -56.0207 -30.4364 -56.0207 50.4373 52.1756 -30.4364 52.1755 -23.9374 GPRESSAVG: 910200 -23.4966 -52.9205 -32.2558 -55.6394 49.6174 52.5896 -31.4392 52.7829 -22.5744 TIMING: 910200 CPU: 2938.12, 0.00315735/step Wall: 2938.12, 0.00315735/step, 3.58693 hours remaining, 231.710938 MB of memory in use. ENERGY: 910200 4007.3728 20534.5024 14353.5713 251.9079 -203306.2523 2267.3085 0.0000 0.0000 51960.8689 -109930.7204 298.6198 -161891.5892 -109579.4924 298.8132 -68.3071 -37.1927 760067.0350 1.1166 1.1821 PRESSURE: 910400 105.251 -0.420678 -244.065 -0.421408 173.852 -155.67 -244.064 -155.671 -10.7442 GPRESSURE: 910400 154.573 -63.3144 -247.197 -86.2313 150.268 -189.535 -281.744 93.4104 38.9886 PRESSAVG: 910400 -54.9627 7.17855 -23.0084 7.17854 70.1543 -26.6054 -23.0083 -26.6055 -7.40314 GPRESSAVG: 910400 -54.8076 5.97373 -22.7242 7.38969 71.6308 -27.2541 -20.8692 -24.7759 -8.57793 TIMING: 910400 CPU: 2938.75, 0.00314141/step Wall: 2938.75, 0.00314141/step, 3.56864 hours remaining, 231.710938 MB of memory in use. ENERGY: 910400 3906.2831 20661.0066 14467.0952 244.2739 -203596.6744 2219.8524 0.0000 0.0000 52257.1847 -109840.9785 300.3228 -162098.1632 -109479.6338 298.7087 89.4529 114.6099 760305.8650 2.5962 2.7484 PRESSURE: 910600 -93.21 -126.281 -145.65 -126.281 -35.646 84.0606 -145.65 84.0604 -124.194 GPRESSURE: 910600 -64.6283 -51.7661 -29.3289 -197.853 4.86285 139.247 -53.4678 40.7169 -115.321 PRESSAVG: 910600 -86.2836 -48.4988 10.1784 -48.4988 68.6603 6.1895 10.1784 6.18943 17.1396 GPRESSAVG: 910600 -86.2132 -46.7664 9.1974 -50.7244 67.7369 6.918 10.8853 5.74931 18.3095 TIMING: 910600 CPU: 2939.38, 0.00317156/step Wall: 2939.38, 0.00317156/step, 3.60272 hours remaining, 231.710938 MB of memory in use. ENERGY: 910600 3944.9890 20519.1269 14420.3882 256.5286 -203470.1391 2413.5809 0.0000 0.0000 52028.8904 -109886.6351 299.0107 -161915.5255 -109525.8148 299.1853 -84.3500 -58.3622 759702.1547 -0.1613 -0.0556 PRESSURE: 910800 479.176 -47.8806 21.0993 -47.8804 175.869 -11.8745 21.1 -11.8741 -108.631 GPRESSURE: 910800 587.8 -147.393 -15.4328 -111.56 99.6397 -22.8758 87.909 -40.7837 -55.2394 PRESSAVG: 910800 51.5675 -83.0721 -16.6901 -83.0721 1.6865 -4.7567 -16.6901 -4.75669 12.5296 GPRESSAVG: 910800 52.7472 -84.2865 -14.6566 -82.6189 0.742585 -5.55574 -17.7346 -6.18594 12.0484 TIMING: 910800 CPU: 2940.02, 0.00317641/step Wall: 2940.02, 0.00317641/step, 3.60805 hours remaining, 231.710938 MB of memory in use. ENERGY: 910800 3978.1415 20575.6194 14503.7786 243.0943 -203580.9776 2604.9916 0.0000 0.0000 51951.1769 -109724.1753 298.5641 -161675.3522 -109353.3493 298.9941 182.1381 210.7333 758938.3631 21.9279 21.8461 PRESSURE: 911000 14.8389 -14.0357 -23.2396 -14.036 -355.794 187.318 -23.2398 187.318 -353.729 GPRESSURE: 911000 -31.5695 -122.458 -25.3146 -32.4288 -261.664 281.331 -173.491 206.054 -317.102 PRESSAVG: 911000 45.8316 -79.1454 -45.2801 -79.1453 -43.3374 21.3335 -45.2801 21.3337 8.74979 GPRESSAVG: 911000 44.4854 -80.4777 -47.4731 -77.264 -41.894 22.4934 -45.3261 22.396 8.79876 TIMING: 911000 CPU: 2940.65, 0.00317571/step Wall: 2940.65, 0.00317571/step, 3.60708 hours remaining, 231.710938 MB of memory in use. ENERGY: 911000 3990.3840 20566.5470 14477.6213 242.0680 -203353.1834 2158.7707 0.0000 0.0000 52109.2974 -109808.4949 299.4728 -161917.7923 -109452.9286 298.8965 -231.5612 -203.4452 759349.6229 3.7480 3.7967 PRESSURE: 911200 -77.7451 -3.54687 42.8315 -3.54755 40.8931 84.689 42.8314 84.6888 221.909 GPRESSURE: 911200 -28.3101 -63.8517 7.60905 12.6043 102.068 25.6036 131.291 -22.1698 184.624 PRESSAVG: 911200 -0.393139 -30.7143 -11.902 -30.7143 10.8343 11.5389 -11.9021 11.5389 11.8793 GPRESSAVG: 911200 1.34246 -31.5639 -11.1136 -32.0399 9.05542 9.88955 -12.4462 12.8781 12.3395 TIMING: 911200 CPU: 2941.29, 0.00319382/step Wall: 2941.29, 0.00319382/step, 3.62747 hours remaining, 231.710938 MB of memory in use. ENERGY: 911200 3937.4553 20516.8176 14499.3492 243.9009 -203460.1998 2487.5643 0.0000 0.0000 51903.7765 -109871.3359 298.2917 -161775.1125 -109503.3720 299.0189 61.6858 86.1273 760868.9511 7.4402 7.5791 PRESSURE: 911400 14.2281 70.667 35.6302 70.6664 179.702 256.24 35.6297 256.24 -68.6516 GPRESSURE: 911400 106.089 55.0919 59.5034 54.9751 192.709 237.327 -42.848 116.193 -88.9299 PRESSAVG: 911400 -17.5889 -25.8258 15.9779 -25.8258 22.0791 43.9372 15.978 43.9372 -12.3559 GPRESSAVG: 911400 -18.1902 -24.3314 15.8154 -23.7373 22.7825 44.1278 16.5123 42.7205 -12.1068 TIMING: 911400 CPU: 2941.93, 0.00319127/step Wall: 2941.93, 0.00319127/step, 3.6244 hours remaining, 231.710938 MB of memory in use. ENERGY: 911400 3920.5761 20386.3398 14498.9486 255.5208 -203546.2108 2495.7451 0.0000 0.0000 52172.8730 -109816.2073 299.8382 -161989.0803 -109441.9212 298.5799 41.7596 69.9562 759909.7965 -2.6219 -2.5048 PRESSURE: 911600 -269.866 -171.895 173.248 -171.895 -24.8168 -61.9286 173.248 -61.9287 141.34 GPRESSURE: 911600 -211.127 -223.792 181.204 -103.222 80.9273 0.586812 255.93 -2.50655 66.6644 PRESSAVG: 911600 -37.3253 -34.2694 18.9217 -34.2694 27.5676 -7.86475 18.9217 -7.8648 6.95996 GPRESSAVG: 911600 -37.4031 -34.8534 18.2698 -35.5475 27.8667 -6.16632 19.6396 -8.0211 7.06478 TIMING: 911600 CPU: 2942.56, 0.00318398/step Wall: 2942.56, 0.00318398/step, 3.61594 hours remaining, 231.710938 MB of memory in use. ENERGY: 911600 4026.9708 20448.6668 14408.8985 232.6043 -203168.7682 2319.0164 0.0000 0.0000 51968.4417 -109764.1697 298.6633 -161732.6114 -109399.0395 298.8430 -51.1143 -21.1784 761531.3345 -0.9326 -0.8239 PRESSURE: 911800 -137.383 274.608 -176.113 274.609 126.133 234.141 -176.114 234.139 45.2181 GPRESSURE: 911800 -134.109 179.238 -139.524 131.861 218.824 210.103 -214.647 96.2143 65.5071 PRESSAVG: 911800 11.2671 -9.30745 -11.8016 -9.30753 38.1399 2.00662 -11.8017 2.00655 2.1155 GPRESSAVG: 911800 11.1584 -10.5331 -10.2468 -10.0246 38.8825 1.06737 -12.6398 2.94489 1.63635 TIMING: 911800 CPU: 2943.2, 0.00316203/step Wall: 2943.2, 0.00316203/step, 3.59084 hours remaining, 231.710938 MB of memory in use. ENERGY: 911800 3923.2765 20388.6609 14513.2803 257.1419 -203479.3711 2414.6759 0.0000 0.0000 51936.7659 -110045.5696 298.4813 -161982.3356 -109691.1343 298.3508 11.3229 50.0742 758530.5169 17.1742 17.2257 PRESSURE: 912000 34.6649 -202.982 258.597 -202.981 44.5973 48.8739 258.597 48.873 -216.848 GPRESSURE: 912000 41.5849 -309.694 200.014 -34.8984 130.784 20.347 212.32 144.035 -205.826 PRESSAVG: 912000 -22.0927 -47.4058 -15.2325 -47.4058 -1.04961 59.7854 -15.2324 59.7855 -15.2561 GPRESSAVG: 912000 -21.9469 -45.9362 -14.9438 -46.3291 -2.28644 60.605 -16.05 57.7871 -14.9544 TIMING: 912000 CPU: 2943.83, 0.00315586/step Wall: 2943.83, 0.00315586/step, 3.58366 hours remaining, 231.710938 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: 912000 3981.7263 20271.4187 14443.5262 253.1520 -203394.4608 2408.7265 0.0000 0.0000 51836.2254 -110199.6858 297.9035 -162035.9112 -109830.9993 298.0172 -45.8619 -11.1524 758499.3203 -12.7995 -13.0626 PRESSURE: 912200 -546.741 -197.834 -113.273 -197.834 145.57 171.869 -113.273 171.87 350.531 GPRESSURE: 912200 -459.283 -117.511 -173.61 -188.634 253.369 162.706 17.6295 176.434 257.698 PRESSAVG: 912200 -9.5628 -38.2845 -30.0757 -38.2845 26.6786 9.7558 -30.0757 9.75582 -17.5528 GPRESSAVG: 912200 -9.71043 -38.675 -32.0073 -37.7986 27.6337 9.30514 -29.1741 11.616 -18.0273 TIMING: 912200 CPU: 2944.46, 0.00317359/step Wall: 2944.46, 0.00317359/step, 3.60361 hours remaining, 231.710938 MB of memory in use. ENERGY: 912200 3993.5999 20298.8725 14463.6793 238.5581 -203457.2273 2124.1518 0.0000 0.0000 52013.0128 -110325.3530 298.9195 -162338.3658 -109972.4026 298.1898 -16.8799 17.2613 757828.1196 -0.1457 -0.0347 LDB: ============= START OF LOAD BALANCING ============== 2956.89 LDB: ============== END OF LOAD BALANCING =============== 2956.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2956.89 LDB: ============= START OF LOAD BALANCING ============== 2957.21 LDB: Largest compute 7069 load 0.036045 is 18.4% of average load 0.195453 LDB: Average compute 0.004400 is 2.3% of average load 0.195453 LDB: TIME 2957.21 LOAD: AVG 0.195453 MAX 0.215653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.777 MB LDB: TIME 2957.21 LOAD: AVG 0.195453 MAX 0.215653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.781 MB LDB: TIME 2957.21 LOAD: AVG 0.195453 MAX 0.215653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.781 MB LDB: ============== END OF LOAD BALANCING =============== 2957.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2957.22 PRESSURE: 912400 67.8737 97.7536 -10.0884 97.7543 223.186 69.0053 -10.0887 69.0054 350.938 GPRESSURE: 912400 176.449 99.4515 112.823 -1.31559 191.153 151.79 -50.9314 49.665 362.992 PRESSAVG: 912400 -38.7528 -33.4087 -17.4607 -33.4087 29.6765 9.36042 -17.4608 9.36036 -23.2192 GPRESSAVG: 912400 -39.0566 -33.8121 -15.9313 -34.334 29.1313 9.65597 -17.7741 9.6981 -22.5337 TIMING: 912400 CPU: 2945.11, 0.0032579/step Wall: 2945.11, 0.0032579/step, 3.69916 hours remaining, 232.925781 MB of memory in use. ENERGY: 912400 3994.8385 20379.8760 14551.0331 246.5578 -203650.5333 2620.1931 0.0000 0.0000 51634.6543 -110223.3805 296.7451 -161858.0348 -109867.3403 297.8188 213.9992 243.5313 759504.4441 -10.7651 -10.8196 PRESSURE: 912600 93.0208 -163.638 44.2952 -163.638 337.477 128.229 44.2945 128.229 35.4576 GPRESSURE: 912600 95.8274 -182.981 30.1736 -149.285 422.433 141.278 104.258 47.3838 24.2911 PRESSAVG: 912600 -17.1738 -63.7134 -16.2493 -63.7134 22.0912 29.5034 -16.2493 29.5034 23.0925 GPRESSAVG: 912600 -16.7543 -64.0934 -17.1007 -63.8601 21.9398 30.5115 -15.2507 27.6451 23.2051 TIMING: 912600 CPU: 2945.75, 0.00315913/step Wall: 2945.75, 0.00315913/step, 3.58684 hours remaining, 233.128906 MB of memory in use. ENERGY: 912600 3979.3896 20297.2880 14478.0367 256.2884 -203739.3901 2592.2110 0.0000 0.0000 51960.0817 -110176.0948 298.6153 -162136.1765 -109820.8108 298.0111 155.3183 180.8504 758197.8308 9.3367 9.4635 PRESSURE: 912800 49.7072 -139.135 -59.4259 -139.135 -319.025 134.468 -59.4259 134.468 -6.24052 GPRESSURE: 912800 6.25471 -134.048 61.213 -21.72 -260.533 144.104 -6.64291 95.4481 56.9976 PRESSAVG: 912800 22.2598 -31.6049 6.89874 -31.605 -55.167 45.7224 6.89868 45.7225 -4.31071 GPRESSAVG: 912800 20.6851 -32.1424 7.62521 -29.9528 -55.9286 46.0097 5.47011 45.6622 -2.27688 TIMING: 912800 CPU: 2946.38, 0.00315567/step Wall: 2946.38, 0.00315567/step, 3.58273 hours remaining, 233.128906 MB of memory in use. ENERGY: 912800 3884.1577 20506.5763 14466.1472 247.7929 -203628.9519 2539.0653 0.0000 0.0000 51971.6027 -110013.6097 298.6815 -161985.2124 -109662.0074 298.3754 -91.8529 -65.7601 759390.9642 -12.4060 -12.5068 PRESSURE: 913000 136.633 -83.917 -20.7446 -83.9169 210.344 41.0392 -20.7446 41.0397 69.8019 GPRESSURE: 913000 127.317 -45.7207 -14.1757 -77.0159 286.102 78.141 -54.4026 126.906 91.1658 PRESSAVG: 913000 31.5785 -36.875 13.5236 -36.8749 -31.3284 42.741 13.5236 42.741 10.3422 GPRESSAVG: 913000 32.8908 -34.4736 14.084 -37.0905 -31.5375 39.4774 12.8426 42.6101 9.17692 TIMING: 913000 CPU: 2947.01, 0.00314729/step Wall: 2947.01, 0.00314729/step, 3.57305 hours remaining, 233.128906 MB of memory in use. ENERGY: 913000 3899.3048 20398.1794 14525.2278 246.5702 -203945.5628 2753.8205 0.0000 0.0000 52187.2480 -109935.2121 299.9208 -162122.4601 -109575.8548 298.3733 138.9263 168.1948 759047.1024 3.5308 3.5100 PRESSURE: 913200 535.152 -105.69 -110.742 -105.691 278.55 112.108 -110.741 112.108 116.802 GPRESSURE: 913200 571.952 -50.5371 -70.4283 -102.563 175.293 74.0321 4.30833 77.4429 260.237 PRESSAVG: 913200 -34.6407 -19.1977 -29.2805 -19.1978 5.88529 0.780731 -29.2805 0.780711 20.2616 GPRESSAVG: 913200 -34.3596 -20.2089 -30.6606 -22.0187 6.41284 2.01433 -25.5942 1.09745 19.4175 TIMING: 913200 CPU: 2947.64, 0.00316373/step Wall: 2947.64, 0.00316373/step, 3.59154 hours remaining, 233.199219 MB of memory in use. ENERGY: 913200 3993.4045 20378.5757 14473.8917 252.1223 -203269.8172 2358.4090 0.0000 0.0000 51999.7178 -109813.6962 298.8431 -161813.4140 -109445.8979 298.2509 310.1682 335.8269 759428.6821 -2.8313 -2.8431 PRESSURE: 913400 -117.245 20.6236 -28.7941 20.6244 -188.947 167.835 -28.794 167.836 8.96571 GPRESSURE: 913400 -104.019 54.3579 -54 59.991 -79.5138 169.425 38.2031 157.292 -30.0278 PRESSAVG: 913400 28.2471 16.7914 36.4732 16.7915 -2.19056 26.2648 36.4732 26.2647 -16.3558 GPRESSAVG: 913400 28.7106 18.3405 39.8604 18.7975 -2.21327 26.7733 34.1605 26.2801 -16.465 TIMING: 913400 CPU: 2948.27, 0.00315497/step Wall: 2948.27, 0.00315497/step, 3.58142 hours remaining, 233.199219 MB of memory in use. ENERGY: 913400 3969.9427 20533.6892 14509.9361 234.1427 -203228.4417 2304.1699 0.0000 0.0000 51817.6499 -109858.9113 297.7967 -161676.5612 -109497.7955 298.7505 -99.0752 -71.1869 759035.1090 3.2336 3.3441 PRESSURE: 913600 -642.445 -337.49 -147.865 -337.489 -252.393 198.57 -147.866 198.57 -59.4665 GPRESSURE: 913600 -601.339 -242.287 -142.288 -288.226 -209.986 218.867 -260.034 274.109 -61.9209 PRESSAVG: 913600 9.55088 1.93143 14.6611 1.93138 -7.01413 36.6051 14.6609 36.6052 22.6808 GPRESSAVG: 913600 10.0534 2.6522 12.5069 1.2812 -6.68379 35.9941 14.0839 35.641 22.0513 TIMING: 913600 CPU: 2948.9, 0.00315231/step Wall: 2948.9, 0.00315231/step, 3.57822 hours remaining, 233.199219 MB of memory in use. ENERGY: 913600 3964.4729 20610.6420 14504.0686 238.0341 -203350.9175 2393.7240 0.0000 0.0000 51949.6796 -109690.2963 298.5555 -161639.9758 -109321.5145 298.7754 -318.1016 -291.0819 761366.3442 8.4059 8.4736 PRESSURE: 913800 44.8925 -120.745 -105.123 -120.744 17.2433 88.1568 -105.124 88.1571 -484.125 GPRESSURE: 913800 111.263 -140.754 23.6308 -72.7034 -11.4765 126.457 -175.106 8.45099 -444.414 PRESSAVG: 913800 -24.2578 -73.9771 -2.41419 -73.977 33.7244 44.6199 -2.4142 44.6199 -8.28267 GPRESSAVG: 913800 -24.6866 -75.8252 -3.15936 -72.5509 33.8996 44.5562 -0.869884 46.4028 -7.74138 TIMING: 913800 CPU: 2949.53, 0.00316301/step Wall: 2949.53, 0.00316301/step, 3.5902 hours remaining, 233.199219 MB of memory in use. ENERGY: 913800 3932.4300 20570.7076 14500.3748 254.0134 -202937.7532 2250.0072 0.0000 0.0000 51885.0169 -109545.2033 298.1839 -161430.2202 -109187.9999 298.9457 -140.6630 -114.8758 761535.1924 0.3946 0.4905 PRESSURE: 914000 67.0016 217.359 135.123 217.36 62.633 -208.153 135.122 -208.154 -198.054 GPRESSURE: 914000 95.5321 184.106 156.087 231.123 89.2336 -316.798 166.077 -227.567 -164.348 PRESSAVG: 914000 -0.922904 -44.5951 2.16306 -44.5951 -4.67551 19.2016 2.16307 19.2016 3.87249 GPRESSAVG: 914000 -1.22019 -43.2066 1.48773 -45.0802 -4.64918 19.327 1.18304 20.1404 3.76121 TIMING: 914000 CPU: 2950.17, 0.00316427/step Wall: 2950.17, 0.00316427/step, 3.59145 hours remaining, 233.269531 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: 914000 3986.3531 20555.8895 14483.0625 242.8884 -203315.1764 2711.0880 0.0000 0.0000 51875.3376 -109460.5573 298.1283 -161335.8949 -109101.5594 299.4721 -22.8065 6.8060 761580.7902 -0.5753 -0.7027 PRESSURE: 914200 21.4272 -162.738 9.25302 -162.737 -399.553 -53.7592 9.25311 -53.7608 -377.335 GPRESSURE: 914200 -18.7711 -154.113 -30.7778 -239.521 -280.552 -50.5493 15.4821 38.3814 -357.993 PRESSAVG: 914200 -31.8539 -75.8219 5.22909 -75.8218 -10.4339 30.4988 5.22906 30.4988 6.17004 GPRESSAVG: 914200 -31.7359 -76.1941 5.14199 -75.4075 -11.5142 30.0574 5.50703 29.4276 7.56666 TIMING: 914200 CPU: 2950.8, 0.00318404/step Wall: 2950.8, 0.00318404/step, 3.61371 hours remaining, 233.269531 MB of memory in use. ENERGY: 914200 4052.1925 20428.5494 14564.1950 253.7922 -203215.3638 2371.4224 0.0000 0.0000 52289.8544 -109255.3579 300.5105 -161545.2122 -108896.5920 300.1986 -251.8204 -219.1054 762476.7754 -12.0393 -11.8945 PRESSURE: 914400 22.5531 7.02945 40.4311 7.02994 -30.4663 173.639 40.4315 173.638 -135.308 GPRESSURE: 914400 14.4424 -52.7395 70.9526 -26.5098 23.1599 243.57 -20.7534 -9.73293 -102.125 PRESSAVG: 914400 10.6415 -40.5078 2.78856 -40.5078 -77.6057 -30.2081 2.7886 -30.2081 3.40608 GPRESSAVG: 914400 9.59291 -42.168 4.06962 -40.4225 -76.5941 -29.9431 5.51188 -30.6438 2.79549 TIMING: 914400 CPU: 2951.44, 0.00317614/step Wall: 2951.44, 0.00317614/step, 3.60456 hours remaining, 233.269531 MB of memory in use. ENERGY: 914400 4079.1613 20443.9949 14420.1670 253.5461 -202861.2627 2167.8835 0.0000 0.0000 52394.8078 -109101.7020 301.1137 -161496.5098 -108734.3325 300.0420 -47.7405 -21.5076 759822.5985 -21.1860 -21.4019 PRESSURE: 914600 -161.431 39.182 3.35269 39.1819 -411.091 16.9685 3.35262 16.9687 -77.0697 GPRESSURE: 914600 -105.627 -92.4979 49.2669 54.0586 -382.166 58.971 -160.18 -102.717 -76.1419 PRESSAVG: 914600 -47.1743 -45.7164 38.9673 -45.7165 40.2378 29.0787 38.9673 29.0787 -15.0804 GPRESSAVG: 914600 -46.3186 -42.5689 39.6335 -47.2247 40.8524 29.8368 34.7442 30.7955 -16.2345 TIMING: 914600 CPU: 2952.08, 0.00318487/step Wall: 2952.08, 0.00318487/step, 3.6143 hours remaining, 233.269531 MB of memory in use. ENERGY: 914600 4041.9373 20483.2248 14532.0231 259.7420 -203123.1137 2370.6857 0.0000 0.0000 52366.5660 -109068.9347 300.9514 -161435.5008 -108710.3649 300.0790 -216.5307 -187.9782 761317.8861 -7.3390 -7.2336 PRESSURE: 914800 41.7839 -243.541 -76.7298 -243.54 -227.11 -73.7464 -76.7303 -73.7476 -205.544 GPRESSURE: 914800 89.1578 -179.843 -85.4494 -111.623 -180.359 -96.0826 7.40411 -22.1947 -186.123 PRESSAVG: 914800 4.09382 -86.7453 -21.0847 -86.7452 12.042 -3.51363 -21.0847 -3.51364 13.3396 GPRESSAVG: 914800 4.41091 -87.9738 -23.4071 -87.2438 10.1275 -2.88962 -18.3122 -4.83644 14.7847 TIMING: 914800 CPU: 2952.71, 0.00317877/step Wall: 2952.71, 0.00317877/step, 3.60719 hours remaining, 233.269531 MB of memory in use. ENERGY: 914800 4039.7496 20638.7216 14487.5748 221.3558 -203141.9266 2592.8366 0.0000 0.0000 52058.6885 -109102.9998 299.1820 -161161.6883 -108735.9128 299.9809 -130.2900 -92.4411 760966.7896 9.8251 9.7744 PRESSURE: 915000 -55.7426 66.284 26.9154 66.2831 -175.805 -96.5324 26.9155 -96.5314 -399.424 GPRESSURE: 915000 -132.945 177.099 52.2473 129.113 -76.8693 -117.366 -39.8317 11.7754 -329.407 PRESSAVG: 915000 -58.8932 -32.379 -12.32 -32.379 69.8204 -61.1521 -12.32 -61.1521 -25.8606 GPRESSAVG: 915000 -60.0265 -29.202 -9.17261 -31.2654 71.2254 -61.1466 -12.7614 -62.1773 -26.6183 TIMING: 915000 CPU: 2953.34, 0.0031669/step Wall: 2953.34, 0.0031669/step, 3.59355 hours remaining, 233.269531 MB of memory in use. ENERGY: 915000 4090.9424 20579.2847 14504.3725 248.4229 -203423.8272 2616.1334 0.0000 0.0000 52184.7492 -109199.9221 299.9065 -161384.6713 -108844.7605 299.9364 -210.3238 -179.7403 761394.7054 -4.9778 -5.1398 PRESSURE: 915200 -50.2933 12.6829 -140.899 12.6833 -250.566 -112.858 -140.899 -112.858 -18.8251 GPRESSURE: 915200 43.8528 42.3374 -166.418 20.627 -231.088 -45.3394 -342.91 -92.1215 -54.6241 PRESSAVG: 915200 21.9773 -30.3307 -29.4246 -30.3307 -12.0786 20.4511 -29.4246 20.4511 20.2682 GPRESSAVG: 915200 22.3706 -34.1583 -30.4575 -28.042 -12.0607 20.2172 -29.3982 22.8152 19.4175 TIMING: 915200 CPU: 2953.98, 0.00316687/step Wall: 2953.98, 0.00316687/step, 3.59334 hours remaining, 233.269531 MB of memory in use. ENERGY: 915200 4049.7375 20654.4629 14519.9787 242.1427 -203259.6011 2396.6968 0.0000 0.0000 52355.9700 -109040.6125 300.8905 -161396.5825 -108688.4841 300.0509 -106.5614 -80.6197 761338.3769 10.0556 9.9091 PRESSURE: 915400 254.16 284.537 48.0396 284.538 344.128 -56.9231 48.0399 -56.9225 296.396 GPRESSURE: 915400 297.645 275.734 94.888 261.307 380.589 -0.227733 -30.9532 -131.662 288.924 PRESSAVG: 915400 16.0753 -26.096 -11.8751 -26.096 -31.7857 -18.1025 -11.8751 -18.1026 -14.0131 GPRESSAVG: 915400 16.9156 -27.6916 -11.8648 -25.837 -32.7537 -17.8996 -13.6819 -19.9699 -14.9261 TIMING: 915400 CPU: 2954.61, 0.00316833/step Wall: 2954.61, 0.00316833/step, 3.59482 hours remaining, 233.269531 MB of memory in use. ENERGY: 915400 4058.3272 20577.0445 14438.9534 239.9635 -203245.2247 2773.2549 0.0000 0.0000 52064.3707 -109093.3106 299.2147 -161157.6813 -108731.7827 300.5293 298.2281 322.3861 760556.0667 -9.9078 -10.2547 PRESSURE: 915600 70.014 -6.80881 51.0265 -6.80873 -231.349 -4.59549 51.0274 -4.59533 148.77 GPRESSURE: 915600 72.9268 81.6674 123.105 -22.4026 -164.164 0.668211 137.08 -4.76704 139.943 PRESSAVG: 915600 6.2425 -107.109 33.7832 -107.109 -14.5052 -39.8021 33.7831 -39.8021 5.11369 GPRESSAVG: 915600 5.40211 -104.81 32.5124 -109.493 -14.3739 -40.9269 36.4995 -39.7557 5.94743 TIMING: 915600 CPU: 2955.25, 0.00317139/step Wall: 2955.25, 0.00317139/step, 3.59812 hours remaining, 233.269531 MB of memory in use. ENERGY: 915600 4039.8298 20433.7424 14480.3952 247.0276 -203242.6235 2396.2644 0.0000 0.0000 52141.7913 -109503.5726 299.6596 -161645.3639 -109143.2008 299.6547 -4.1883 16.2355 760229.7496 -1.0497 -1.0081 PRESSURE: 915800 -136.652 -129.919 -204.74 -129.918 -439.377 -54.1831 -204.74 -54.1834 -268.005 GPRESSURE: 915800 -179.147 -184.276 -230.569 -26.7496 -366.701 -56.0016 -211.55 -57.838 -230.198 PRESSAVG: 915800 4.33934 -6.09566 -11.477 -6.09569 30.4484 27.1209 -11.477 27.1209 10.3588 GPRESSAVG: 915800 3.7524 -6.22765 -12.9484 -5.20225 31.4121 27.5446 -11.4459 29.307 10.5511 TIMING: 915800 CPU: 2955.88, 0.00314781/step Wall: 2955.88, 0.00314781/step, 3.57119 hours remaining, 233.269531 MB of memory in use. ENERGY: 915800 4000.6460 20557.0005 14463.9224 253.6362 -203265.4668 2267.4309 0.0000 0.0000 52414.1933 -109308.6375 301.2251 -161722.8308 -108952.0564 299.6447 -281.3448 -258.6816 760455.7889 15.0488 15.2385 PRESSURE: 916000 -17.2113 40.6888 67.2787 40.6889 -83.0705 5.45777 67.2796 5.45781 -304.148 GPRESSURE: 916000 29.4327 -14.6205 12.8607 -44.0747 -34.8076 -64.3118 51.654 52.8351 -300.077 PRESSAVG: 916000 17.2124 5.91977 -25.138 5.91975 -0.809776 23.8655 -25.138 23.8655 7.80403 GPRESSAVG: 916000 17.0416 5.65622 -24.162 6.07555 -0.51437 24.4775 -26.4178 22.3961 8.07565 TIMING: 916000 CPU: 2956.5, 0.00314652/step Wall: 2956.5, 0.00314652/step, 3.56955 hours remaining, 233.269531 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: 916000 4009.7717 20633.5358 14413.8437 242.9182 -203258.8225 2560.9801 0.0000 0.0000 51975.3323 -109422.4407 298.7029 -161397.7730 -109052.7030 300.2583 -134.8099 -101.8173 760574.6908 8.0689 8.2010 PRESSURE: 916200 56.1404 -59.5866 111.741 -59.5871 -111.841 94.1874 111.741 94.1869 285.718 GPRESSURE: 916200 121.636 29.7732 132.185 -21.1563 -107.947 103.566 29.8335 189.573 279.842 PRESSAVG: 916200 42.645 -26.6387 -1.04656 -26.6387 -34.4223 -27.0322 -1.04658 -27.0322 2.56784 GPRESSAVG: 916200 43.0621 -25.9916 -1.36376 -27.6804 -36.3941 -26.853 -2.67618 -26.6295 3.40667 TIMING: 916200 CPU: 2957.14, 0.00315541/step Wall: 2957.14, 0.00315541/step, 3.57947 hours remaining, 233.269531 MB of memory in use. ENERGY: 916200 4018.9569 20595.6640 14474.0991 251.0839 -203631.1405 2845.2280 0.0000 0.0000 52033.3176 -109412.7909 299.0362 -161446.1086 -109038.9025 299.5491 76.6726 97.8434 758774.4571 3.5969 3.3582 LDB: ============= START OF LOAD BALANCING ============== 2969.56 LDB: ============== END OF LOAD BALANCING =============== 2969.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2969.56 LDB: ============= START OF LOAD BALANCING ============== 2969.88 LDB: Largest compute 7075 load 0.035434 is 18.1% of average load 0.195485 LDB: Average compute 0.004397 is 2.2% of average load 0.195485 LDB: TIME 2969.88 LOAD: AVG 0.195485 MAX 0.216746 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.156 MB LDB: TIME 2969.88 LOAD: AVG 0.195485 MAX 0.216746 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.16 MB LDB: TIME 2969.88 LOAD: AVG 0.195485 MAX 0.216746 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.16 MB LDB: ============== END OF LOAD BALANCING =============== 2969.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2969.89 PRESSURE: 916400 -121.337 -178.272 -65.8277 -178.272 -371.692 -123.527 -65.828 -123.527 -506.496 GPRESSURE: 916400 -138.427 -188.247 5.11281 -75.2236 -321.743 -50.9783 -165.278 -242.118 -465.119 PRESSAVG: 916400 0.720418 -30.2933 -34.2934 -30.2933 18.5009 -28.6543 -34.2934 -28.6542 4.69075 GPRESSAVG: 916400 0.846474 -29.8703 -33.1416 -30.8247 19.2237 -28.5645 -31.1339 -28.1349 4.00571 TIMING: 916400 CPU: 2957.78, 0.00322781/step Wall: 2957.78, 0.00322781/step, 3.66141 hours remaining, 230.164062 MB of memory in use. ENERGY: 916400 4040.8423 20588.3833 14497.4007 237.1732 -202674.3105 2105.5870 0.0000 0.0000 51914.8562 -109290.0677 298.3554 -161204.9239 -108927.4616 300.0902 -333.1750 -308.4296 761269.4475 7.9707 8.0253 PRESSURE: 916600 -78.0771 -68.3074 61.48 -68.3071 23.1162 -86.8698 61.48 -86.8706 250.737 GPRESSURE: 916600 0.495125 -52.7588 82.69 -69.4458 26.1815 -56.959 -11.1153 -106.087 251.207 PRESSAVG: 916600 -57.9085 -25.3204 26.9815 -25.3204 28.8114 9.36974 26.9815 9.36975 -27.963 GPRESSAVG: 916600 -57.201 -24.6355 25.9956 -23.8248 27.0921 9.21106 23.7003 8.5963 -27.0408 TIMING: 916600 CPU: 2958.41, 0.0031439/step Wall: 2958.41, 0.0031439/step, 3.56605 hours remaining, 230.363281 MB of memory in use. ENERGY: 916600 3982.4523 20333.8066 14486.2616 250.5005 -203361.9092 2620.5161 0.0000 0.0000 52171.0774 -109517.2946 299.8279 -161688.3720 -109155.9879 299.6876 65.2587 92.6279 759702.6584 -19.0200 -19.0499 PRESSURE: 916800 -184.327 -33.8284 128.984 -33.8281 -238.519 111.604 128.984 111.604 211.956 GPRESSURE: 916800 -267.176 -37.5743 161.345 -69.9543 -129.994 127.283 7.04765 218.457 264.418 PRESSAVG: 916800 -19.1131 -3.1992 44.5726 -3.19921 0.00273219 42.0914 44.5726 42.0913 12.2953 GPRESSAVG: 916800 -20.0529 -2.39665 44.9252 -4.78202 2.06659 41.2402 45.8883 41.5471 11.1411 TIMING: 916800 CPU: 2959.04, 0.00315434/step Wall: 2959.04, 0.00315434/step, 3.57773 hours remaining, 230.363281 MB of memory in use. ENERGY: 916800 4079.4952 20535.0605 14563.7828 265.0951 -203155.0688 2269.6749 0.0000 0.0000 52143.9295 -109298.0308 299.6719 -161441.9604 -108937.3477 299.8451 -70.2970 -44.2507 760043.2203 -2.2717 -2.2818 PRESSURE: 917000 -29.0997 100.542 45.1226 100.543 -253.081 -16.6264 45.1232 -16.6275 -520.593 GPRESSURE: 917000 -110.889 100.923 16.8503 115.291 -151.358 -18.3111 121.848 135.441 -452.983 PRESSAVG: 917000 -28.8219 -19.719 33.728 -19.719 10.0511 30.066 33.7279 30.066 17.37 GPRESSAVG: 917000 -28.1289 -22.1739 33.9037 -20.1716 10.2492 29.6465 32.7061 32.1974 16.7606 TIMING: 917000 CPU: 2959.67, 0.00314438/step Wall: 2959.67, 0.00314438/step, 3.56625 hours remaining, 230.363281 MB of memory in use. ENERGY: 917000 4116.7846 20492.5580 14511.2935 253.1360 -203300.3287 2304.1795 0.0000 0.0000 52111.7216 -109510.6555 299.4868 -161622.3771 -109148.2120 300.0726 -267.5913 -238.4097 759831.6362 -0.4669 -0.3730 PRESSURE: 917200 -246.003 -239.024 -318.467 -239.023 -690.148 -162.031 -318.467 -162.031 -318.918 GPRESSURE: 917200 -249.205 -233.976 -210.589 -146.173 -622.808 -152.732 -346.461 -187.557 -268.364 PRESSAVG: 917200 20.3699 -37.7154 -39.5589 -37.7153 -5.32934 49.5251 -39.5589 49.525 0.376841 GPRESSAVG: 917200 19.7134 -36.7902 -39.5575 -36.4407 -5.16572 49.4743 -39.0451 47.8206 0.627753 TIMING: 917200 CPU: 2960.3, 0.00315791/step Wall: 2960.3, 0.00315791/step, 3.58142 hours remaining, 230.363281 MB of memory in use. ENERGY: 917200 4139.5684 20537.9587 14407.3501 253.8264 -203237.9210 2221.9187 0.0000 0.0000 51954.1615 -109723.1372 298.5813 -161677.2987 -109360.1850 299.6574 -418.3566 -380.1255 760163.1521 5.1391 5.0585 PRESSURE: 917400 276.395 14.5546 -95.5415 14.5543 -263.644 76.0163 -95.5413 76.0163 -260.077 GPRESSURE: 917400 283.768 -2.86381 -236.811 -22.8508 -163.166 48.6312 -2.46058 98.5692 -292.235 PRESSAVG: 917400 29.3376 -11.3309 -27.8761 -11.3309 -23.182 14.675 -27.876 14.6749 -13.3522 GPRESSAVG: 917400 28.9497 -12.8036 -30.3908 -9.87853 -23.9102 14.0687 -25.918 14.3748 -13.0331 TIMING: 917400 CPU: 2960.96, 0.00328605/step Wall: 2960.96, 0.00328606/step, 3.72657 hours remaining, 230.363281 MB of memory in use. ENERGY: 917400 4041.3428 20509.4569 14441.2837 267.7755 -203683.0462 2602.2440 0.0000 0.0000 52135.6449 -109685.2986 299.6243 -161820.9435 -109312.6561 299.1796 -82.4421 -57.2111 759211.6422 -2.3989 -2.6645 PRESSURE: 917600 -135.986 -78.6525 56.6701 -78.6536 -262.272 -101.822 56.669 -101.822 606.367 GPRESSURE: 917600 0.711916 76.6825 64.9952 -52.9609 -226.749 -42.4199 181.955 -133.972 523.636 PRESSAVG: 917600 31.677 -13.2732 -16.363 -13.2732 -24.6013 4.56224 -16.363 4.56228 15.8919 GPRESSAVG: 917600 31.2681 -10.8792 -13.4676 -14.7741 -24.3421 6.30477 -17.2283 4.50479 15.39 TIMING: 917600 CPU: 2961.59, 0.00314239/step Wall: 2961.59, 0.00314239/step, 3.56347 hours remaining, 230.363281 MB of memory in use. ENERGY: 917600 4069.1560 20453.7883 14499.0409 239.9125 -203687.2981 2574.4549 0.0000 0.0000 52180.8195 -109670.1261 299.8839 -161850.9456 -109290.8131 299.3161 69.3698 99.1996 759145.8371 7.6559 7.4387 PRESSURE: 917800 -143.572 -11.6114 41.5981 -11.6117 46.5224 -113.272 41.5985 -113.273 -135.884 GPRESSURE: 917800 -51.9612 13.1754 90.4465 -6.61405 23.7561 -170.956 30.0676 -115.56 -108.179 PRESSAVG: 917800 36.2621 -33.0675 -14.6211 -33.0675 -21.505 -11.9734 -14.6211 -11.9735 1.2713 GPRESSAVG: 917800 36.7515 -33.1605 -14.6775 -31.3716 -21.0218 -12.1994 -15.369 -12.5269 0.538118 TIMING: 917800 CPU: 2962.22, 0.00315633/step Wall: 2962.22, 0.00315633/step, 3.57911 hours remaining, 230.363281 MB of memory in use. ENERGY: 917800 4062.6551 20531.8487 14494.2868 266.5564 -203550.1337 2576.3465 0.0000 0.0000 51949.4591 -109668.9811 298.5543 -161618.4401 -109304.4974 299.5293 -77.6444 -45.4613 760068.7193 5.3428 5.4226 PRESSURE: 918000 73.6238 -19.4254 -75.9807 -19.4252 105.303 245.951 -75.9818 245.95 -280.618 GPRESSURE: 918000 138.328 19.6442 -32.9275 -127.571 140.897 231.649 -66.5918 154.728 -274.938 PRESSAVG: 918000 -22.374 -22.9034 9.05679 -22.9035 63.4648 -20.2272 9.05678 -20.2272 -9.44489 GPRESSAVG: 918000 -21.4661 -23.086 7.26774 -25.1744 61.9516 -21.7885 8.13155 -19.5432 -9.0783 TIMING: 918000 CPU: 2962.85, 0.00316929/step Wall: 2962.85, 0.00316929/step, 3.59362 hours remaining, 230.363281 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: 918000 4017.1655 20511.7857 14479.2755 252.7769 -203907.1308 2635.2487 0.0000 0.0000 52218.2973 -109792.5810 300.0993 -162010.8783 -109426.3206 299.1750 -33.8969 1.4287 759604.3193 10.5487 10.4691 PRESSURE: 918200 271.213 47.0346 150.255 47.0353 218.542 117.802 150.256 117.803 378.829 GPRESSURE: 918200 360.334 104.154 188.474 136.983 261.847 74.1231 150.895 176.966 324.561 PRESSAVG: 918200 -25.4382 -62.6094 29.2339 -62.6095 23.7493 -33.8995 29.2339 -33.8994 16.5066 GPRESSAVG: 918200 -26.6275 -61.6917 30.2235 -61.6389 23.8609 -32.7548 32.2334 -35.2268 17.3141 TIMING: 918200 CPU: 2963.48, 0.00314778/step Wall: 2963.48, 0.00314778/step, 3.56906 hours remaining, 230.363281 MB of memory in use. ENERGY: 918200 3892.3306 20585.0587 14443.5493 234.5082 -203955.3342 2908.2717 0.0000 0.0000 51964.1694 -109927.4462 298.6388 -161891.6157 -109575.2765 298.6912 289.5280 315.5806 758485.0194 4.9392 4.8491 PRESSURE: 918400 -102.388 14.5106 76.1258 14.5112 204.259 -154.424 76.1262 -154.424 130.812 GPRESSURE: 918400 1.94575 48.5881 52.4485 -111.71 197.125 -193.649 106.674 -26.5497 104.36 PRESSAVG: 918400 -14.6095 5.18959 -3.57052 5.18958 23.5688 -37.5703 -3.57053 -37.5703 23.8036 GPRESSAVG: 918400 -14.3556 4.5898 -2.63491 5.12178 25.008 -39.0728 -5.17711 -34.1394 21.5466 TIMING: 918400 CPU: 2964.11, 0.00315301/step Wall: 2964.11, 0.00315301/step, 3.57481 hours remaining, 230.363281 MB of memory in use. ENERGY: 918400 3874.9673 20474.0971 14478.1701 252.5465 -203946.3346 2640.1631 0.0000 0.0000 52252.7525 -109973.6381 300.2973 -162226.3905 -109598.6641 298.8348 77.5607 101.1436 757851.7015 10.9210 10.7330 PRESSURE: 918600 126.925 33.8031 97.2484 33.8035 -165.554 227.516 97.2483 227.517 167.544 GPRESSURE: 918600 211.426 74.2353 97.2866 79.358 -277.315 193.733 28.5514 185.787 248.642 PRESSAVG: 918600 21.4167 -47.2297 16.0555 -47.2297 -39.703 -32.4863 16.0556 -32.4862 36.1653 GPRESSAVG: 918600 22.1526 -47.451 16.557 -46.0964 -41.4849 -30.5951 15.8347 -35.4233 36.9539 TIMING: 918600 CPU: 2964.74, 0.00314363/step Wall: 2964.74, 0.00314363/step, 3.564 hours remaining, 230.363281 MB of memory in use. ENERGY: 918600 3958.0897 20492.4149 14480.2300 254.5101 -203372.1247 2445.6748 0.0000 0.0000 51784.3487 -109956.8565 297.6054 -161741.2052 -109591.8084 298.5830 42.9717 60.9178 759490.7600 5.9597 5.8739 PRESSURE: 918800 105.924 -214.865 -139.099 -214.866 248.435 -341.1 -139.099 -341.1 163.343 GPRESSURE: 918800 122.458 -241.184 -86.9954 -81.0397 253.242 -312.125 -147.223 -386.982 217.189 PRESSAVG: 918800 16.5379 -31.3508 -18.0402 -31.3508 -12.4568 37.8692 -18.0402 37.8692 -23.5076 GPRESSAVG: 918800 15.6082 -30.8591 -18.4704 -33.2081 -11.2263 36.0619 -17.7127 39.0236 -23.584 TIMING: 918800 CPU: 2965.37, 0.00314041/step Wall: 2965.37, 0.00314041/step, 3.56017 hours remaining, 230.363281 MB of memory in use. ENERGY: 918800 3928.8888 20456.6219 14559.2233 238.3053 -203493.5332 2541.8933 0.0000 0.0000 51915.9085 -109852.6922 298.3614 -161768.6007 -109491.5889 298.8499 172.5670 197.6295 759490.5492 -6.4755 -6.4007 PRESSURE: 919000 -309.163 198.503 -168.477 198.503 -222.191 -114.278 -168.478 -114.277 -494.935 GPRESSURE: 919000 -113.892 276.662 -186.654 172.947 -349.544 -36.6873 -98.434 -139.854 -486.663 PRESSAVG: 919000 -2.00781 -46.827 0.834767 -46.827 -26.071 -34.1861 0.834747 -34.1861 -15.7156 GPRESSAVG: 919000 -1.03858 -47.0847 -0.0527536 -46.4569 -26.7889 -33.2178 2.20548 -33.8877 -16.3386 TIMING: 919000 CPU: 2966, 0.00315315/step Wall: 2966, 0.00315315/step, 3.57445 hours remaining, 230.363281 MB of memory in use. ENERGY: 919000 4001.8890 20499.0386 14536.1863 239.3698 -203219.7795 2172.1623 0.0000 0.0000 51872.6867 -109898.4468 298.1130 -161771.1335 -109546.3618 299.1122 -342.0963 -316.6995 759419.8077 -14.5982 -14.7220 PRESSURE: 919200 29.4462 -13.7317 247.15 -13.7326 101.581 169.355 247.15 169.355 -248.971 GPRESSURE: 919200 47.4222 89.1905 265.43 -128.224 139.136 121.223 251.259 114.212 -202.382 PRESSAVG: 919200 26.0759 -36.1781 -47.049 -36.1782 -67.4294 -52.3525 -47.0491 -52.3524 -2.58131 GPRESSAVG: 919200 23.5331 -34.6784 -47.2186 -37.3828 -64.866 -53.3639 -50.4787 -53.0981 -2.46766 TIMING: 919200 CPU: 2966.63, 0.00314504/step Wall: 2966.63, 0.00314504/step, 3.56508 hours remaining, 230.363281 MB of memory in use. ENERGY: 919200 3951.8694 20430.9105 14524.4811 247.6360 -203339.8492 2488.3028 0.0000 0.0000 51954.3251 -109742.3243 298.5822 -161696.6494 -109389.3356 298.3877 -39.3147 -5.2745 760659.9921 -14.6450 -14.6002 PRESSURE: 919400 -119.945 80.8992 -86.5618 80.8997 -37.1904 162.185 -86.5617 162.186 48.6923 GPRESSURE: 919400 -29.6733 115.162 -135.479 144.303 -28.2349 86.5982 23.9219 35.6065 36.598 PRESSAVG: 919400 11.0948 -20.6817 -42.2594 -20.6817 -28.6405 -39.434 -42.2594 -39.434 -1.06967 GPRESSAVG: 919400 11.536 -21.8618 -40.5654 -19.5065 -29.938 -39.9175 -39.8503 -38.6653 0.18837 TIMING: 919400 CPU: 2967.26, 0.00315457/step Wall: 2967.26, 0.00315457/step, 3.5757 hours remaining, 230.363281 MB of memory in use. ENERGY: 919400 4018.7051 20370.2310 14536.2946 246.7529 -203532.7600 2345.1917 0.0000 0.0000 52063.1027 -109952.4820 299.2074 -162015.5847 -109575.7969 298.7690 -36.1476 -7.1034 758684.7641 -6.2051 -6.0712 PRESSURE: 919600 -140.086 -87.5686 45.3628 -87.5677 -146.98 -43.832 45.3636 -43.8311 37.4995 GPRESSURE: 919600 -73.9381 43.0791 63.101 -134.641 -164.967 -80.2364 -94.1759 13.5375 81.468 PRESSAVG: 919600 3.58537 -32.9681 41.7815 -32.9681 6.4033 -2.98531 41.7815 -2.98524 6.71793 GPRESSAVG: 919600 4.34395 -32.2373 41.2379 -33.4853 5.75543 -2.17178 41.6008 -3.86683 6.30307 TIMING: 919600 CPU: 2967.89, 0.0031547/step Wall: 2967.89, 0.0031547/step, 3.57567 hours remaining, 230.363281 MB of memory in use. ENERGY: 919600 3988.7324 20416.9984 14502.7961 246.5894 -203372.3344 2412.0018 0.0000 0.0000 51764.6267 -110040.5896 297.4920 -161805.2162 -109695.4866 298.1516 -83.1890 -52.4790 760737.2073 5.5689 5.4675 PRESSURE: 919800 -124.598 13.1298 -149.665 13.1306 -28.834 -97.9434 -149.666 -97.9427 224.549 GPRESSURE: 919800 -28.463 75.447 -176.935 34.7215 -57.827 -32.3874 -23.3206 -84.331 239.998 PRESSAVG: 919800 12.3022 30.9209 -19.746 30.9209 -37.8014 -3.19864 -19.7461 -3.19862 -3.9205 GPRESSAVG: 919800 12.0868 28.7255 -19.9573 31.7324 -39.249 -4.00329 -20.2221 -2.3935 -2.63099 TIMING: 919800 CPU: 2968.52, 0.00314515/step Wall: 2968.52, 0.00314515/step, 3.56468 hours remaining, 230.363281 MB of memory in use. ENERGY: 919800 3954.4873 20311.6925 14451.4824 245.3321 -203474.7432 2591.4843 0.0000 0.0000 51865.3007 -110054.9640 298.0706 -161920.2646 -109690.8290 297.7031 23.7057 51.2359 761957.4631 -9.8066 -9.9311 PRESSURE: 920000 -84.8859 102.706 86.169 102.707 -191.036 -178.329 86.1686 -178.328 135.83 GPRESSURE: 920000 -24.7192 84.5678 96.498 22.7249 -150.427 -126.268 129.763 -117.879 131.254 PRESSAVG: 920000 10.9066 -26.4849 9.6404 -26.4849 56.4133 -27.7481 9.64041 -27.7481 3.30524 GPRESSAVG: 920000 9.92523 -25.8091 9.01087 -27.3748 58.7414 -26.5192 10.405 -30.4326 1.84477 TIMING: 920000 CPU: 2969.15, 0.00314835/step Wall: 2969.15, 0.00314835/step, 3.56813 hours remaining, 230.363281 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: 920000 4022.8506 20363.4614 14524.4694 249.2516 -203323.5713 2316.9688 0.0000 0.0000 51920.9548 -109925.6149 298.3904 -161846.5697 -109560.3167 297.9309 -46.6974 -14.6307 760162.7211 23.5417 23.5038 PRESSURE: 920200 -248.057 -30.9784 -49.8004 -30.9793 -116.937 161.527 -49.8002 161.527 -507.414 GPRESSURE: 920200 -183.195 1.36331 -91.3862 41.5791 -102.101 47.4662 -9.11067 107.385 -501.983 PRESSAVG: 920200 -22.5804 -53.8282 -27.1627 -53.8281 22.7499 -51.0222 -27.1627 -51.0221 41.0951 GPRESSAVG: 920200 -20.9977 -54.5415 -26.4172 -53.1782 21.2861 -52.7844 -28.1474 -49.85 40.9018 TIMING: 920200 CPU: 2969.78, 0.00316981/step Wall: 2969.78, 0.00316981/step, 3.59228 hours remaining, 230.363281 MB of memory in use. ENERGY: 920200 3956.1679 20415.2635 14422.2888 249.7822 -203223.3103 2363.5371 0.0000 0.0000 51973.0306 -109843.2402 298.6897 -161816.2708 -109480.6013 298.0667 -290.8027 -262.4265 761024.5825 13.7549 13.7301 LDB: ============= START OF LOAD BALANCING ============== 2982.21 LDB: ============== END OF LOAD BALANCING =============== 2982.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.21 LDB: ============= START OF LOAD BALANCING ============== 2982.53 LDB: Largest compute 7075 load 0.038516 is 19.7% of average load 0.195473 LDB: Average compute 0.004424 is 2.3% of average load 0.195473 LDB: TIME 2982.53 LOAD: AVG 0.195473 MAX 0.214408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.961 MB LDB: TIME 2982.53 LOAD: AVG 0.195473 MAX 0.214408 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: TIME 2982.53 LOAD: AVG 0.195473 MAX 0.214408 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: ============== END OF LOAD BALANCING =============== 2982.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.54 PRESSURE: 920400 -87.5074 75.5769 126.086 75.577 -143.493 110.808 126.086 110.808 241.177 GPRESSURE: 920400 -68.8559 98.5414 89.485 -10.2098 -80.2888 129.355 180.735 75.9674 222.84 PRESSAVG: 920400 -19.3875 -30.1385 4.40319 -30.1384 32.8452 -42.2463 4.40322 -42.2463 -5.53104 GPRESSAVG: 920400 -19.586 -28.27 4.47575 -30.9356 33.2947 -40.511 6.75874 -41.4684 -5.7798 TIMING: 920400 CPU: 2970.43, 0.00324015/step Wall: 2970.43, 0.00324015/step, 3.67181 hours remaining, 232.027344 MB of memory in use. ENERGY: 920400 3942.4998 20373.6208 14441.7630 256.5130 -203402.6358 2558.5715 0.0000 0.0000 51956.5563 -109873.1114 298.5950 -161829.6677 -109511.1944 298.1026 3.3925 24.5652 759585.4063 2.6422 2.6429 PRESSURE: 920600 -563.768 -5.02343 -84.7574 -5.02427 -116.193 288.659 -84.7569 288.659 -418.857 GPRESSURE: 920600 -532.58 49.9868 -130.64 183.194 -55.8655 270.717 36.985 173.439 -420.033 PRESSAVG: 920600 9.62134 -8.62707 -2.31467 -8.62708 -1.64787 -16.0966 -2.31469 -16.0966 9.77929 GPRESSAVG: 920600 8.84625 -11.0123 -2.55814 -7.95792 -1.99407 -17.629 -3.47444 -17.1688 10.1721 TIMING: 920600 CPU: 2971.06, 0.00315699/step Wall: 2971.06, 0.00315699/step, 3.5774 hours remaining, 232.226562 MB of memory in use. ENERGY: 920600 3924.9248 20543.9111 14516.1644 237.8450 -202997.8582 2150.7176 0.0000 0.0000 51742.5807 -109881.7145 297.3653 -161624.2952 -109528.8063 298.0878 -366.2724 -336.1596 761185.8408 5.9176 5.6747 PRESSURE: 920800 -12.2424 -115.858 -278.78 -115.858 53.1036 118.867 -278.78 118.868 173.684 GPRESSURE: 920800 44.7523 -104.29 -271.338 -151.969 150.526 -2.92074 -106.911 64.0791 101.739 PRESSAVG: 920800 -53.267 16.4692 -3.68945 16.4693 48.009 -9.45393 -3.6894 -9.45399 -5.56266 GPRESSAVG: 920800 -52.6746 17.3512 -4.23814 16.4398 48.4297 -8.87564 -3.60045 -9.77431 -6.23398 TIMING: 920800 CPU: 2971.69, 0.00315717/step Wall: 2971.69, 0.00315717/step, 3.57743 hours remaining, 232.226562 MB of memory in use. ENERGY: 920800 3969.3481 20458.6706 14446.0806 244.8057 -203348.1746 2379.2966 0.0000 0.0000 51971.7753 -109878.1977 298.6825 -161849.9730 -109524.8565 298.1765 71.5150 99.0058 759517.1821 -3.6069 -3.4930 PRESSURE: 921000 -286.324 94.8466 245.319 94.8473 85.2925 -143.839 245.318 -143.839 -62.7783 GPRESSURE: 921000 -222.236 82.4816 247.132 23.9653 67.7175 -79.1594 143.187 -128.367 -43.6961 PRESSAVG: 921000 24.6706 -19.6589 49.4641 -19.6589 11.3323 -28.7034 49.4641 -28.7034 13.7513 GPRESSAVG: 921000 24.8803 -18.5588 50.1715 -20.944 10.7665 -28.0774 47.5895 -27.4025 13.6297 TIMING: 921000 CPU: 2972.32, 0.00314086/step Wall: 2972.32, 0.00314086/step, 3.55877 hours remaining, 232.226562 MB of memory in use. ENERGY: 921000 3960.8300 20380.2686 14503.3290 257.8779 -203285.3477 2377.2435 0.0000 0.0000 51795.7713 -110010.0274 297.6710 -161805.7986 -109647.7875 298.6208 -87.9365 -66.0716 760040.9144 16.5847 16.4255 PRESSURE: 921200 146.373 -446.834 120.149 -446.833 -368.87 -50.151 120.149 -50.1514 -427.903 GPRESSURE: 921200 117.991 -377.739 171.881 -349.589 -213.324 54.1998 153.162 53.8722 -477.058 PRESSAVG: 921200 -26.3257 -10.4763 40.9014 -10.4763 31.8423 21.2203 40.9015 21.2204 22.4181 GPRESSAVG: 921200 -27.0505 -9.25292 41.11 -10.6306 32.2187 21.2479 41.2243 22.0821 22.1347 TIMING: 921200 CPU: 2972.95, 0.00314518/step Wall: 2972.95, 0.00314518/step, 3.56349 hours remaining, 232.226562 MB of memory in use. ENERGY: 921200 3991.4589 20505.6292 14460.9327 257.5397 -203709.4004 2604.5489 0.0000 0.0000 52032.3676 -109856.9235 299.0307 -161889.2911 -109493.1517 298.4977 -216.8000 -190.7971 760571.8658 9.3115 9.1010 PRESSURE: 921400 -271.551 -4.37234 62.6654 -4.37241 -304.73 -149.038 62.6652 -149.036 -243.86 GPRESSURE: 921400 -209.097 89.5135 55.6935 15.3265 -258.673 -169.415 43.6183 0.790494 -251.427 PRESSAVG: 921400 -59.3489 14.6081 21.4595 14.6081 57.0487 -7.26274 21.4595 -7.26277 16.2954 GPRESSAVG: 921400 -57.7201 12.6806 22.3913 15.7747 55.463 -7.70103 21.2902 -6.73297 16.2559 TIMING: 921400 CPU: 2973.58, 0.00312764/step Wall: 2973.58, 0.00312764/step, 3.54344 hours remaining, 232.226562 MB of memory in use. ENERGY: 921400 4026.4786 20589.8237 14505.2202 250.1585 -203127.2015 2136.9219 0.0000 0.0000 52039.5917 -109579.0070 299.0722 -161618.5987 -109221.7427 299.3953 -273.3802 -239.7326 759469.4978 4.6651 4.6662 PRESSURE: 921600 -21.5315 138.385 -96.14 138.384 -190.736 75.1649 -96.1392 75.1662 -153.49 GPRESSURE: 921600 71.989 137.891 -67.0162 41.5002 -217.134 17.2253 -125.731 89.1252 -136.807 PRESSAVG: 921600 24.6481 -14.067 -45.3162 -14.067 -32.7248 -4.50297 -45.3162 -4.50293 -4.20192 GPRESSAVG: 921600 23.9502 -13.8451 -46.6527 -15.1362 -32.1461 -4.65695 -45.6231 -7.04664 -3.93697 TIMING: 921600 CPU: 2974.21, 0.00315503/step Wall: 2974.21, 0.00315503/step, 3.5743 hours remaining, 232.226562 MB of memory in use. ENERGY: 921600 4021.8165 20601.1833 14535.0253 238.3309 -203611.0620 2565.8690 0.0000 0.0000 51951.5500 -109697.2870 298.5663 -161648.8370 -109336.6983 299.3247 -121.9192 -93.9838 759784.3872 -4.0929 -4.0443 PRESSURE: 921800 -126.415 -19.3784 76.546 -19.3783 227.454 -38.9618 76.5468 -38.9609 277.343 GPRESSURE: 921800 -76.3447 -115.858 -16.875 -137.833 161.987 -60.1782 39.8687 21.3134 363.487 PRESSAVG: 921800 -24.2942 -76.3517 -6.61478 -76.3517 33.7254 5.47023 -6.61487 5.47026 2.24675 GPRESSAVG: 921800 -24.2598 -78.1016 -8.23631 -76.2163 34.2335 7.05079 -5.65116 6.64145 1.75264 TIMING: 921800 CPU: 2974.84, 0.00314052/step Wall: 2974.84, 0.00314052/step, 3.55769 hours remaining, 232.226562 MB of memory in use. ENERGY: 921800 3917.9828 20607.7616 14539.9631 254.2909 -203912.9545 2604.3146 0.0000 0.0000 52196.3988 -109792.2427 299.9734 -161988.6415 -109422.7600 299.1824 126.1273 149.7099 759211.4174 3.8926 3.9088 PRESSURE: 922000 27.4752 -18.1016 55.5948 -18.1021 -111.203 267.711 55.595 267.711 -263.475 GPRESSURE: 922000 47.9466 165.958 7.63892 -111.879 -18.2488 279.726 183.706 176.966 -313.866 PRESSAVG: 922000 -57.1512 -43.9767 15.4685 -43.9767 22.5647 10.4202 15.4685 10.4202 -3.02267 GPRESSAVG: 922000 -58.1318 -42.6389 16.4098 -43.215 22.8128 11.1227 14.993 7.69949 -2.43553 TIMING: 922000 CPU: 2975.47, 0.00315209/step Wall: 2975.47, 0.00315209/step, 3.57061 hours remaining, 232.226562 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: 922000 4046.8387 20639.8198 14429.6028 250.3820 -203292.6146 2384.0653 0.0000 0.0000 51689.4687 -109852.4374 297.0601 -161541.9060 -109493.3305 298.5763 -115.7343 -94.7227 759510.5649 -12.5364 -12.5849 PRESSURE: 922200 -172.678 84.7997 44.0492 84.7998 -87.898 -157.159 44.0483 -157.158 -252.376 GPRESSURE: 922200 -172.535 115.799 98.1822 122.071 -12.7416 -161.568 -33.9922 -94.269 -243.308 PRESSAVG: 922200 2.44445 -5.916 15.0071 -5.91601 69.2702 -6.61419 15.0071 -6.6142 3.24418 GPRESSAVG: 922200 2.92975 -8.36225 16.4082 -5.94787 67.5082 -7.94556 14.4224 -6.37223 3.98216 TIMING: 922200 CPU: 2976.1, 0.0031589/step Wall: 2976.1, 0.0031589/step, 3.57815 hours remaining, 232.226562 MB of memory in use. ENERGY: 922200 3988.6945 20580.9920 14446.5215 246.1730 -203358.8277 2532.3610 0.0000 0.0000 51902.1248 -109661.9609 298.2822 -161564.0857 -109303.2011 298.8732 -170.9839 -142.8617 761169.6246 24.9863 24.8067 PRESSURE: 922400 -267.303 125.109 99.3705 125.109 -224.817 -69.6851 99.3697 -69.684 35.2813 GPRESSURE: 922400 -228.224 37.3878 166.566 75.9148 -195.259 -132.635 25.5593 83.2949 47.1582 PRESSAVG: 922400 -19.5962 -10.6425 5.53161 -10.6424 7.68138 19.3393 5.53153 19.3393 -1.45848 GPRESSAVG: 922400 -19.6936 -6.41661 4.67656 -12.3514 9.38914 20.1362 6.29744 19.6941 -3.36418 TIMING: 922400 CPU: 2976.73, 0.00315302/step Wall: 2976.73, 0.00315302/step, 3.57132 hours remaining, 232.226562 MB of memory in use. ENERGY: 922400 4027.3361 20409.8614 14462.9873 255.8211 -203323.1123 2531.9568 0.0000 0.0000 51844.6954 -109790.4542 297.9522 -161635.1496 -109428.1180 298.7929 -152.2798 -125.4416 761620.9642 -4.4578 -4.5562 PRESSURE: 922600 137.787 43.8535 135.262 43.8536 372.267 141.773 135.262 141.773 206.472 GPRESSURE: 922600 169.998 -22.5779 40.7712 5.88774 305.569 97.314 68.1635 183.932 321.876 PRESSAVG: 922600 -7.01619 -46.4456 4.04968 -46.4457 -0.151831 30.9289 4.04963 30.9288 -6.54557 GPRESSAVG: 922600 -8.2309 -47.3119 5.09152 -47.6012 -1.53725 29.1906 2.96819 32.6643 -4.24265 TIMING: 922600 CPU: 2977.36, 0.00314476/step Wall: 2977.36, 0.00314476/step, 3.56178 hours remaining, 232.226562 MB of memory in use. ENERGY: 922600 3942.2721 20524.0681 14488.5786 244.4050 -203315.7000 2567.3947 0.0000 0.0000 51907.2620 -109641.7195 298.3117 -161548.9815 -109282.0633 299.1607 238.8417 265.8143 761053.2351 -4.5712 -4.6703 PRESSURE: 922800 155.399 -103.058 -130.117 -103.057 -224.431 183.776 -130.116 183.775 -32.3375 GPRESSURE: 922800 160.999 -53.7451 -64.1686 -181.039 -173.566 245.239 -63.863 95.0203 17.3957 PRESSAVG: 922800 6.38086 -26.6218 -3.20798 -26.6218 -21.8735 -9.73619 -3.20799 -9.73614 7.8087 GPRESSAVG: 922800 7.17444 -29.0535 -3.10388 -25.5069 -20.0485 -8.15695 -1.28465 -11.4874 5.26973 TIMING: 922800 CPU: 2977.99, 0.00314336/step Wall: 2977.99, 0.00314336/step, 3.56003 hours remaining, 232.226562 MB of memory in use. ENERGY: 922800 4045.5271 20501.0530 14460.9951 244.6016 -203846.8815 2878.6512 0.0000 0.0000 52273.0968 -109442.9566 300.4142 -161716.0534 -109075.0795 299.4190 -33.7897 1.6093 761996.8821 -2.5613 -2.5348 PRESSURE: 923000 100.063 111.375 75.7055 111.376 -130.179 63.5591 75.7053 63.5595 -108.542 GPRESSURE: 923000 100.031 134.197 78.6815 96.3042 -132.997 13.2038 -42.7862 130.819 -24.3942 PRESSAVG: 923000 -18.4499 -5.19428 -3.52069 -5.19422 1.39394 16.261 -3.52071 16.2611 16.1279 GPRESSAVG: 923000 -19.46 -3.18251 -4.18389 -4.22576 1.12709 15.5381 -4.61934 16.8226 17.4047 TIMING: 923000 CPU: 2978.62, 0.00314481/step Wall: 2978.62, 0.00314481/step, 3.5615 hours remaining, 232.226562 MB of memory in use. ENERGY: 923000 4018.3448 20559.5589 14512.8487 243.4885 -202984.8004 2222.7589 0.0000 0.0000 51943.2140 -109484.5865 298.5184 -161427.8006 -109121.6210 299.0282 -46.2193 -19.1198 760385.9450 -0.3093 -0.3094 PRESSURE: 923200 -149.383 -186.669 78.6774 -186.668 -84.1793 -29.5585 78.676 -29.5582 -463.576 GPRESSURE: 923200 -132.828 -181.989 72.9979 -138.737 27.1689 -6.11141 58.7812 0.783939 -485.238 PRESSAVG: 923200 -13.4106 0.176056 8.68865 0.176063 32.1154 -18.8367 8.68863 -18.8367 -12.1311 GPRESSAVG: 923200 -12.5974 1.03344 9.12509 -1.01205 31.9371 -17.1495 9.13791 -17.7257 -12.8963 TIMING: 923200 CPU: 2979.24, 0.00313479/step Wall: 2979.24, 0.00313479/step, 3.54997 hours remaining, 232.226562 MB of memory in use. ENERGY: 923200 4004.8963 20499.0984 14469.2233 231.1060 -203357.3236 2449.8429 0.0000 0.0000 51973.3378 -109729.8189 298.6915 -161703.1567 -109358.3942 299.0732 -232.3794 -196.9658 760956.3216 2.1912 2.1478 PRESSURE: 923400 350.842 -14.0929 -141.714 -14.0929 35.3742 -76.616 -141.714 -76.6148 177.086 GPRESSURE: 923400 319.57 -76.0819 -216.903 -124.355 68.9025 -28.1577 -100.056 -168.373 251.195 PRESSAVG: 923400 -1.89626 -79.6966 -37.5048 -79.6967 22.027 5.3995 -37.5048 5.39951 16.7343 GPRESSAVG: 923400 -1.05215 -81.8838 -35.9494 -80.623 21.5286 5.15779 -39.9644 4.34725 16.025 TIMING: 923400 CPU: 2979.87, 0.00314941/step Wall: 2979.87, 0.00314941/step, 3.56636 hours remaining, 232.226562 MB of memory in use. ENERGY: 923400 4057.7610 20590.8439 14443.5266 255.6326 -203790.3989 2764.9664 0.0000 0.0000 51958.6866 -109718.9818 298.6073 -161677.6684 -109366.1454 299.2476 187.7675 213.2224 758989.3464 12.2883 12.1671 PRESSURE: 923600 147.616 -48.8787 -137.189 -48.878 172.77 -3.19997 -137.188 -3.19975 -10.2255 GPRESSURE: 923600 181.655 -67.9812 -134.818 12.609 122.29 -26.2361 -161.044 -24.4573 100.297 PRESSAVG: 923600 -21.6299 -10.7455 -58.218 -10.7454 8.06386 -30.3234 -58.218 -30.3233 -8.80566 GPRESSAVG: 923600 -23.606 -11.6497 -60.9249 -11.0268 7.96675 -30.2418 -53.1736 -29.5257 -7.20424 TIMING: 923600 CPU: 2980.5, 0.00315573/step Wall: 2980.5, 0.00315573/step, 3.57334 hours remaining, 232.226562 MB of memory in use. ENERGY: 923600 3952.1899 20591.6625 14505.4175 246.8037 -203479.8689 2370.0124 0.0000 0.0000 52072.9171 -109740.8658 299.2638 -161813.7829 -109377.4763 299.4388 103.3869 134.7476 758508.7446 -7.4572 -7.6145 PRESSURE: 923800 25.2604 -93.2538 -148.345 -93.2534 -351.975 145.903 -148.344 145.903 152.19 GPRESSURE: 923800 54.6245 -124.036 -145.054 -102.566 -262.565 20.3026 -155.351 7.19874 110.925 PRESSAVG: 923800 34.5916 -67.0401 -24.9459 -67.0401 -6.4435 69.003 -24.9459 69.0029 -22.8925 GPRESSAVG: 923800 34.4792 -63.1793 -23.8688 -66.4464 -6.10841 68.5981 -25.9777 65.8688 -23.8542 TIMING: 923800 CPU: 2981.13, 0.00315548/step Wall: 2981.13, 0.00315548/step, 3.57288 hours remaining, 232.226562 MB of memory in use. ENERGY: 923800 4047.2099 20666.6436 14463.3164 237.3195 -203013.8308 2129.8659 0.0000 0.0000 52012.3583 -109457.1172 298.9157 -161469.4756 -109103.3697 299.0659 -58.1749 -32.3383 758834.4630 1.7518 1.5055 PRESSURE: 924000 -610.411 19.87 47.3524 19.8692 -263.711 26.8157 47.3527 26.8148 -178.003 GPRESSURE: 924000 -569.658 -32.0413 45.83 4.44361 -208.196 124.252 88.1068 -55.9612 -186.6 PRESSAVG: 924000 21.2763 -35.7986 30.9235 -35.7987 -38.7054 61.9636 30.9235 61.9637 -2.59728 GPRESSAVG: 924000 21.8983 -39.4787 31.035 -35.1678 -39.2936 62.0401 30.0022 63.5996 -2.45362 TIMING: 924000 CPU: 2981.77, 0.00315839/step Wall: 2981.77, 0.00315839/step, 3.576 hours remaining, 232.226562 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: 924000 4010.2131 20428.4718 14499.5656 238.5887 -202995.7472 2346.3929 0.0000 0.0000 52020.3793 -109452.1358 298.9618 -161472.5151 -109084.8891 299.7637 -350.7081 -321.4849 761448.8337 -6.6755 -6.6163 PRESSURE: 924200 229.834 -28.2834 -193.49 -28.2837 121.215 -49.7191 -193.49 -49.719 -121.903 GPRESSURE: 924200 200.708 -37.413 -188.852 -43.7985 157.544 -34.1388 -252.855 25.8237 -56.1234 PRESSAVG: 924200 8.12821 -34.0483 -23.4431 -34.0484 9.08479 19.358 -23.4431 19.358 -19.6371 GPRESSAVG: 924200 6.47338 -31.869 -23.0896 -35.4692 9.40602 19.6727 -23.6189 19.7177 -18.5084 TIMING: 924200 CPU: 2982.4, 0.0031575/step Wall: 2982.4, 0.0031575/step, 3.57482 hours remaining, 232.226562 MB of memory in use. ENERGY: 924200 4011.3337 20841.8361 14483.9228 241.0886 -203188.9437 2344.8670 0.0000 0.0000 51924.8587 -109341.0368 298.4129 -161265.8954 -108981.9759 299.3705 76.3821 100.7097 759949.5110 -0.8080 -0.8763 LDB: ============= START OF LOAD BALANCING ============== 2994.82 LDB: ============== END OF LOAD BALANCING =============== 2994.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2994.82 LDB: ============= START OF LOAD BALANCING ============== 2995.14 LDB: Largest compute 7075 load 0.036048 is 18.4% of average load 0.195488 LDB: Average compute 0.004400 is 2.3% of average load 0.195488 LDB: TIME 2995.14 LOAD: AVG 0.195488 MAX 0.213227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.359 MB LDB: TIME 2995.14 LOAD: AVG 0.195488 MAX 0.213227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.453 MB LDB: TIME 2995.14 LOAD: AVG 0.195488 MAX 0.213227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.453 MB LDB: ============== END OF LOAD BALANCING =============== 2995.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2995.15 PRESSURE: 924400 -284.905 -36.1593 178.284 -36.1596 -41.5702 29.5706 178.284 29.5707 4.16834 GPRESSURE: 924400 -119.799 32.1436 106.294 73.9113 -103.481 -67.7941 281.616 115.615 -36.837 PRESSAVG: 924400 -16.8496 6.40787 -72.3116 6.40786 -15.7428 -13.324 -72.3117 -13.3239 -32.8737 GPRESSAVG: 924400 -15.3902 5.64616 -72.9054 9.00381 -16.8383 -13.8482 -71.3764 -15.1159 -33.2245 TIMING: 924400 CPU: 2983.05, 0.00323807/step Wall: 2983.05, 0.00323807/step, 3.66586 hours remaining, 230.613281 MB of memory in use. ENERGY: 924400 4011.1840 20530.9539 14545.2807 248.2241 -203209.1481 2348.3282 0.0000 0.0000 52199.7566 -109325.4207 299.9927 -161525.1773 -108952.5240 299.6882 -107.4357 -86.7057 760577.1210 -21.8220 -21.8177 PRESSURE: 924600 18.3897 13.3884 141.196 13.3887 115.412 77.3455 141.196 77.3468 -260.544 GPRESSURE: 924600 43.8721 0.238661 67.9865 51.9475 171.195 105.367 30.2995 62.1341 -262.3 PRESSAVG: 924600 48.3427 2.57998 -7.34983 2.57993 -43.0091 -0.91149 -7.34977 -0.91144 20.7686 GPRESSAVG: 924600 49.4667 1.68487 -7.27244 -0.587701 -42.6351 -1.41484 -9.41055 -0.572531 19.3137 TIMING: 924600 CPU: 2983.67, 0.00313753/step Wall: 2983.67, 0.00313753/step, 3.55186 hours remaining, 231.019531 MB of memory in use. ENERGY: 924600 4065.9572 20543.3996 14535.1495 254.4325 -203784.3292 2683.8687 0.0000 0.0000 52292.6412 -109408.8804 300.5265 -161701.5216 -109027.5996 299.7632 -42.2476 -15.7445 758272.3438 8.7007 8.7151 PRESSURE: 924800 -245.027 65.6934 28.76 65.6938 211.393 99.3247 28.7596 99.326 -440.373 GPRESSURE: 924800 -143.414 59.8843 -67.2625 137.035 205.788 63.4471 141.447 -10.5669 -449.874 PRESSAVG: 924800 -11.5586 2.29252 -37.6995 2.29252 5.59332 20.7146 -37.6994 20.7146 2.35809 GPRESSAVG: 924800 -12.6066 3.56113 -37.5456 4.42722 6.36665 20.7639 -36.7822 21.8036 2.84481 TIMING: 924800 CPU: 2984.3, 0.00313489/step Wall: 2984.3, 0.00313489/step, 3.5487 hours remaining, 231.019531 MB of memory in use. ENERGY: 924800 4111.8512 20628.6499 14477.3468 238.4847 -203705.1345 2854.7116 0.0000 0.0000 52180.6378 -109213.4526 299.8828 -161394.0904 -108843.3355 299.9007 -158.0024 -129.1665 759578.0585 -1.2024 -1.1317 PRESSURE: 925000 -301.884 -64.6379 53.362 -64.637 -59.9999 -19.6187 53.3617 -19.6184 -70.7037 GPRESSURE: 925000 -226.956 19.5121 54.9164 -44.107 -72.2831 -18.1699 119.475 35.3971 -50.1035 PRESSAVG: 925000 -16.1515 -18.8633 1.5374 -18.8633 18.329 3.46872 1.53735 3.46868 18.5828 GPRESSAVG: 925000 -16.0946 -19.8588 -0.0538903 -17.6322 17.397 4.23387 4.65957 3.79804 19.3769 TIMING: 925000 CPU: 2984.93, 0.00314042/step Wall: 2984.93, 0.00314042/step, 3.55478 hours remaining, 231.019531 MB of memory in use. ENERGY: 925000 3936.0540 20662.3350 14439.8325 267.3246 -203105.0015 2498.5620 0.0000 0.0000 52161.4527 -109139.4406 299.7726 -161300.8934 -108779.3404 299.9312 -144.1959 -116.4474 761668.1383 6.9201 6.8931 PRESSURE: 925200 -213.605 -139.264 -114.932 -139.263 -353.321 44.8777 -114.932 44.8769 182.115 GPRESSURE: 925200 -68.3992 -81.9533 -156.818 -90.7175 -314.056 34.8634 -123.936 3.67073 94.948 PRESSAVG: 925200 -52.363 -1.65686 10.9013 -1.65689 36.9878 30.4058 10.9013 30.4059 -24.2608 GPRESSAVG: 925200 -51.7726 -0.132743 12.2688 -2.42272 38.4944 29.8916 10.2728 31.2361 -25.3707 TIMING: 925200 CPU: 2985.56, 0.00315013/step Wall: 2985.56, 0.00315013/step, 3.5656 hours remaining, 231.019531 MB of memory in use. ENERGY: 925200 4066.4246 20285.1457 14575.5568 276.6622 -203287.2062 2433.6404 0.0000 0.0000 52453.5167 -109196.2598 301.4511 -161649.7765 -108824.0183 300.5251 -128.2704 -95.8356 761193.9163 -13.2120 -12.8830 PRESSURE: 925400 10.7432 -255.631 -115.745 -255.632 92.4229 -62.6695 -115.746 -62.6693 -78.6051 GPRESSURE: 925400 36.9957 -150.621 -143.86 -264.867 179.499 -30.7741 -112.586 -113.065 -116.138 PRESSAVG: 925400 -15.4776 -32.84 -11.0373 -32.84 -23.1218 -12.198 -11.0373 -12.198 21.7521 GPRESSAVG: 925400 -15.1597 -33.4219 -11.3041 -32.4043 -23.6202 -13.0264 -12.4034 -14.2764 22.1018 TIMING: 925400 CPU: 2986.19, 0.00316251/step Wall: 2986.19, 0.00316251/step, 3.57944 hours remaining, 231.019531 MB of memory in use. ENERGY: 925400 4012.8161 20514.9780 14465.0998 261.9519 -203373.5668 2535.1529 0.0000 0.0000 52360.3872 -109223.1808 300.9159 -161583.5680 -108859.2188 300.4243 8.1870 33.4523 760564.7038 -5.6158 -5.5594 PRESSURE: 925600 114.52 -177.379 211.365 -177.379 154.594 34.8259 211.366 34.8244 135.843 GPRESSURE: 925600 176.291 -163.561 208.125 -243.063 109.652 -58.7993 197.119 62.7224 194.722 PRESSAVG: 925600 -4.88619 -60.8639 15.158 -60.8638 51.3705 22.375 15.1579 22.375 9.71016 GPRESSAVG: 925600 -5.02854 -60.3378 16.2774 -61.9004 51.0846 21.6547 14.5626 25.3338 9.66094 TIMING: 925600 CPU: 2986.83, 0.00319179/step Wall: 2986.83, 0.00319179/step, 3.6124 hours remaining, 231.019531 MB of memory in use. ENERGY: 925600 4042.7367 20739.0101 14512.1462 266.0393 -203534.3748 2552.1859 0.0000 0.0000 51986.4066 -109435.8500 298.7666 -161422.2566 -109092.2847 299.8777 134.9857 160.2217 758413.7965 18.7315 18.5723 PRESSURE: 925800 -24.868 89.2056 -26.2494 89.2064 -255.056 193.787 -26.2495 193.787 -98.8123 GPRESSURE: 925800 -7.32605 82.368 -36.8575 42.4175 -205.775 166.878 -64.6074 182.153 -70.4434 PRESSAVG: 925800 0.647252 -75.0277 -9.77716 -75.0277 -5.86107 11.0953 -9.77722 11.0953 25.4348 GPRESSAVG: 925800 -0.306563 -75.6331 -9.08919 -74.6182 -4.51352 11.7665 -9.25554 8.85113 24.94 TIMING: 925800 CPU: 2987.46, 0.00317403/step Wall: 2987.46, 0.00317403/step, 3.59212 hours remaining, 231.019531 MB of memory in use. ENERGY: 925800 3982.2284 20655.5113 14589.0154 229.6536 -203413.5745 2499.6376 0.0000 0.0000 52104.9927 -109352.5355 299.4481 -161457.5282 -108991.6188 300.0523 -126.2454 -94.5147 760471.4206 6.7403 6.7066 PRESSURE: 926000 86.9557 -263.096 -26.4274 -263.096 -79.7958 9.63067 -26.4278 9.62927 -242.792 GPRESSURE: 926000 141.885 -221.286 -86.1749 -265.909 -124.44 29.5749 -11.4228 -71.3641 -164.618 PRESSAVG: 926000 18.2692 -71.7874 -28.7573 -71.7874 -24.6583 -4.40098 -28.7572 -4.40096 -1.59384 GPRESSAVG: 926000 17.6503 -71.9459 -29.4886 -71.9959 -25.0753 -4.98273 -30.3105 -2.62054 -0.605228 TIMING: 926000 CPU: 2988.1, 0.00315912/step Wall: 2988.1, 0.00315912/step, 3.57508 hours remaining, 231.019531 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: 926000 4029.7226 20619.9259 14450.4351 255.5928 -203450.1162 2374.4991 0.0000 0.0000 52338.9997 -109380.9409 300.7930 -161719.9406 -109020.4820 299.7672 -78.5441 -49.0579 759952.1192 -2.6610 -2.6767 PRESSURE: 926200 -521.384 -13.8949 90.1981 -13.8941 -27.6606 -100.205 90.1977 -100.206 -372.349 GPRESSURE: 926200 -462.998 83.5259 73.2586 4.6599 6.02196 -130.93 54.1672 -131.047 -388.59 PRESSAVG: 926200 -102.731 -47.8986 -2.16146 -47.8986 96.4913 -8.47315 -2.16143 -8.47318 -3.4012 GPRESSAVG: 926200 -102.004 -48.8161 -2.94587 -47.1803 95.8209 -9.21522 -0.10204 -10.3637 -3.76939 TIMING: 926200 CPU: 2988.73, 0.00316268/step Wall: 2988.73, 0.00316268/step, 3.57892 hours remaining, 231.019531 MB of memory in use. ENERGY: 926200 4072.2203 20478.0661 14544.1946 261.2301 -203557.8062 2542.4954 0.0000 0.0000 52254.7354 -109404.8643 300.3087 -161659.5997 -109043.4528 300.1038 -307.1313 -281.8556 760875.4981 -3.2137 -3.3174 PRESSURE: 926400 -94.7831 -157.619 -100.336 -157.618 -79.6467 46.0344 -100.336 46.034 276.782 GPRESSURE: 926400 -68.5553 -154.39 -176.394 -76.0213 22.1841 144.218 -119.793 45.0622 226.312 PRESSAVG: 926400 -80.9251 -94.1931 -53.0813 -94.1931 84.154 40.2882 -53.0813 40.2882 4.33458 GPRESSAVG: 926400 -80.4931 -93.2826 -52.3218 -95.2196 84.8309 42.3772 -53.3825 39.1704 3.11806 TIMING: 926400 CPU: 2989.36, 0.00316214/step Wall: 2989.36, 0.00316214/step, 3.57813 hours remaining, 231.019531 MB of memory in use. ENERGY: 926400 3977.3961 20496.2375 14529.6899 236.0624 -203405.5845 2636.0736 0.0000 0.0000 52167.3837 -109362.7412 299.8067 -161530.1250 -108992.5499 300.4706 34.1175 59.9802 759797.8922 2.5212 2.4853 PRESSURE: 926600 -367.757 -89.0069 -47.3837 -89.0073 -80.5515 7.92425 -47.384 7.9237 -73.9091 GPRESSURE: 926600 -422.404 -157.446 -29.9831 -94.6137 -87.987 -94.8464 -60.7511 68.7286 47.393 PRESSAVG: 926600 -58.344 -54.5488 45.8452 -54.5488 75.2016 -5.66333 45.8452 -5.66333 -12.9569 GPRESSAVG: 926600 -58.6697 -54.617 45.477 -55.0731 74.5997 -3.94002 46.7829 -3.35231 -12.2199 TIMING: 926600 CPU: 2989.99, 0.00316675/step Wall: 2989.99, 0.00316675/step, 3.58318 hours remaining, 231.019531 MB of memory in use. ENERGY: 926600 4000.6217 20662.1204 14490.6567 233.6292 -203450.8996 2562.9142 0.0000 0.0000 52224.9407 -109276.0167 300.1375 -161500.9574 -108929.0666 299.8664 -174.0724 -154.3328 760143.0390 1.3002 1.2367 PRESSURE: 926800 -106.787 -48.2499 -67.2214 -48.2495 -7.28388 307.418 -67.2214 307.419 171.048 GPRESSURE: 926800 2.37876 -118.847 -77.3749 85.9483 -25.527 309.834 -92.3968 196.202 170.401 PRESSAVG: 926800 -15.1341 -80.2986 -3.95016 -80.2986 29.4467 -5.51548 -3.95019 -5.51552 -13.4582 GPRESSAVG: 926800 -14.1406 -79.2468 -3.6673 -80.8557 27.1154 -7.96896 -6.14338 -4.94968 -11.833 TIMING: 926800 CPU: 2990.62, 0.00314235/step Wall: 2990.62, 0.00314235/step, 3.5554 hours remaining, 231.019531 MB of memory in use. ENERGY: 926800 3976.7463 20661.6236 14503.7722 282.5565 -203718.1435 2659.3717 0.0000 0.0000 52257.1507 -109376.9223 300.3226 -161634.0730 -109010.8645 300.4649 18.9924 49.0844 758691.6673 0.2848 0.3806 PRESSURE: 927000 -290.622 25.963 20.4068 25.9632 -3.31965 113.768 20.407 113.769 29.0917 GPRESSURE: 927000 -192.33 58.5032 35.7907 -32.384 28.0543 157.487 13.0687 14.0056 -4.30545 PRESSAVG: 927000 -21.4004 6.6023 -1.75922 6.60235 41.3776 14.7964 -1.75931 14.7964 1.44826 GPRESSAVG: 927000 -21.1895 5.06737 -2.06366 7.58655 42.0348 14.8744 -1.77202 13.8591 0.103111 TIMING: 927000 CPU: 2991.25, 0.00315301/step Wall: 2991.25, 0.00315301/step, 3.56728 hours remaining, 231.019531 MB of memory in use. ENERGY: 927000 4012.7085 20554.4765 14411.5279 270.4458 -202999.4882 2104.3806 0.0000 0.0000 52298.9419 -109347.0070 300.5627 -161645.9489 -108985.6105 300.5002 -88.2833 -56.1938 759348.6093 7.1418 6.9828 PRESSURE: 927200 -69.3191 -176.335 -66.0263 -176.335 -59.1127 0.0142199 -66.0262 0.0147255 216.398 GPRESSURE: 927200 -10.5772 -117.895 -82.7084 -200.546 -37.0803 31.0496 -21.4708 -19.5338 202.975 PRESSAVG: 927200 -13.0589 -16.6313 1.84348 -16.6313 13.3888 16.2051 1.84348 16.2051 21.6958 GPRESSAVG: 927200 -14.2091 -14.5619 3.60681 -17.7913 15.3609 15.5906 1.95484 17.0114 21.2496 TIMING: 927200 CPU: 2991.88, 0.00314988/step Wall: 2991.88, 0.00314988/step, 3.56357 hours remaining, 231.019531 MB of memory in use. ENERGY: 927200 4036.9713 20498.4548 14546.6815 249.1069 -203571.6634 2241.2488 0.0000 0.0000 52338.1340 -109661.0661 300.7880 -161999.2001 -109299.9147 299.9227 29.3222 51.7726 757541.9247 7.3419 7.4672 PRESSURE: 927400 89.9011 -19.7564 -121.771 -19.7568 43.8038 -55.1179 -121.77 -55.1166 -4.96816 GPRESSURE: 927400 107.048 50.8632 -165.902 36.8709 40.1379 -35.105 -67.9098 -10.044 52.4338 PRESSAVG: 927400 -4.33302 -92.9579 4.74287 -92.9579 12.671 -68.8326 4.74289 -68.8327 4.39671 GPRESSAVG: 927400 -3.71958 -93.6567 3.03989 -92.4062 11.5919 -68.8804 6.00265 -66.1248 4.82298 TIMING: 927400 CPU: 2992.51, 0.0031445/step Wall: 2992.51, 0.0031445/step, 3.55731 hours remaining, 231.019531 MB of memory in use. ENERGY: 927400 4042.8118 20558.4741 14500.6118 233.4489 -203254.2709 2131.2782 0.0000 0.0000 51986.0514 -109801.5949 298.7646 -161787.6463 -109429.2750 299.6700 42.9122 66.5398 758476.9783 4.2449 4.2318 PRESSURE: 927600 -393.503 -17.9304 198.512 -17.93 -293.717 131.187 198.512 131.186 -291.211 GPRESSURE: 927600 -313.43 -29.8205 169.278 31.7209 -227.091 97.783 166.017 -17.0456 -363.198 PRESSAVG: 927600 15.8676 -15.9109 12.5041 -15.9109 1.32171 -13.8852 12.5042 -13.8853 13.6494 GPRESSAVG: 927600 15.3967 -15.6963 13.2061 -16.2385 0.0553277 -12.246 13.3445 -18.83 15.0158 TIMING: 927600 CPU: 2993.14, 0.00314086/step Wall: 2993.14, 0.00314086/step, 3.55301 hours remaining, 231.019531 MB of memory in use. ENERGY: 927600 4101.3310 20534.8030 14480.5331 257.9793 -203331.1468 2321.7020 0.0000 0.0000 51816.2580 -109818.5404 297.7887 -161634.7984 -109450.3444 299.3849 -326.1437 -301.2393 760574.1898 10.2796 10.1559 PRESSURE: 927800 -278.8 8.32915 -106.353 8.32872 -50.3633 24.8505 -106.354 24.8506 255.384 GPRESSURE: 927800 -245.322 53.2979 -32.1895 -106.194 -28.2913 110.32 -176.074 9.45305 285.594 PRESSAVG: 927800 -57.6709 -16.4629 -6.28487 -16.4629 43.462 15.5206 -6.28481 15.5207 18.1811 GPRESSAVG: 927800 -58.1856 -17.7226 -5.17429 -14.6242 45.6944 14.8171 -8.20219 17.3269 16.8632 TIMING: 927800 CPU: 2993.77, 0.00315928/step Wall: 2993.77, 0.00315928/step, 3.57368 hours remaining, 231.019531 MB of memory in use. ENERGY: 927800 3971.6759 20606.6372 14501.7857 237.9624 -203401.4862 2392.3868 0.0000 0.0000 52057.1695 -109633.8688 299.1733 -161691.0383 -109269.6032 299.4833 -24.5930 3.9936 760624.1381 1.3241 1.4573 PRESSURE: 928000 56.2979 71.1272 -84.845 71.127 112.912 -17.6073 -84.8451 -17.6073 -392.361 GPRESSURE: 928000 105.773 -54.0157 -133.111 86.5541 55.8488 23.725 6.02446 9.6328 -307.771 PRESSAVG: 928000 -19.2917 -22.8246 -27.8263 -22.8246 12.8418 20.4681 -27.8263 20.4681 13.9548 GPRESSAVG: 928000 -19.8978 -25.4179 -28.7019 -23.2478 12.9083 22.643 -28.3671 20.7119 14.8151 TIMING: 928000 CPU: 2994.41, 0.00316866/step Wall: 2994.41, 0.00316866/step, 3.58411 hours remaining, 231.019531 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: 928000 3968.9230 20520.6111 14452.5535 254.9336 -203280.6516 2549.6486 0.0000 0.0000 51978.7846 -109555.1973 298.7228 -161533.9819 -109190.8777 299.1528 -74.3837 -48.7163 760674.7617 2.5017 2.6085 PRESSURE: 928200 -16.029 -153.386 10.2434 -153.385 50.8275 -206.838 10.2441 -206.839 -128.977 GPRESSURE: 928200 42.3403 -53.7279 -65.0989 -153.019 24.428 -239.354 -145.566 -133.882 -82.9367 PRESSAVG: 928200 7.35793 -17.6858 -64.8246 -17.6858 14.8547 14.912 -64.8246 14.912 -12.5769 GPRESSAVG: 928200 9.86712 -15.6463 -65.4011 -18.1452 12.7162 13.8344 -65.339 17.1902 -13.1298 TIMING: 928200 CPU: 2995.04, 0.00318764/step Wall: 2995.04, 0.00318764/step, 3.60539 hours remaining, 231.019531 MB of memory in use. ENERGY: 928200 4038.8857 20573.5944 14435.5752 240.2079 -203070.4994 2374.8231 0.0000 0.0000 52107.0275 -109300.3856 299.4598 -161407.4130 -108937.0556 299.4428 -31.3927 -5.3895 762136.3495 3.2119 3.1512 LDB: ============= START OF LOAD BALANCING ============== 3007.47 LDB: ============== END OF LOAD BALANCING =============== 3007.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3007.47 LDB: ============= START OF LOAD BALANCING ============== 3007.79 LDB: Largest compute 7075 load 0.039131 is 20.0% of average load 0.195432 LDB: Average compute 0.004422 is 2.3% of average load 0.195432 LDB: TIME 3007.79 LOAD: AVG 0.195432 MAX 0.215675 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.562 MB LDB: TIME 3007.79 LOAD: AVG 0.195432 MAX 0.215675 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.602 MB LDB: TIME 3007.79 LOAD: AVG 0.195432 MAX 0.215675 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.602 MB LDB: ============== END OF LOAD BALANCING =============== 3007.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3007.8 PRESSURE: 928400 -86.806 -10.8457 -192.398 -10.8456 31.9614 103.938 -192.399 103.938 141.106 GPRESSURE: 928400 -94.9322 84.1887 -198.791 -39.8576 116.493 146.775 -129.065 54.6351 143.705 PRESSAVG: 928400 22.4479 -115.575 -1.3549 -115.575 -39.9025 -43.9381 -1.35481 -43.9382 1.39654 GPRESSAVG: 928400 21.4372 -113.655 -2.6043 -115.247 -38.5068 -42.8074 -0.388608 -46.9889 0.976644 TIMING: 928400 CPU: 2995.69, 0.00325144/step Wall: 2995.69, 0.00325144/step, 3.67738 hours remaining, 230.816406 MB of memory in use. ENERGY: 928400 4015.1145 20726.4305 14417.7059 249.4852 -203332.0735 2497.3319 0.0000 0.0000 52098.8253 -109327.1802 299.4127 -161426.0055 -108962.7659 299.7892 28.7538 55.0885 760019.2763 -5.3527 -5.3643 PRESSURE: 928600 409.814 8.34148 -85.849 8.34056 312.055 222.146 -85.8501 222.147 275.454 GPRESSURE: 928600 427.157 23.3845 -63.3381 -83.6482 327.388 128.884 55.6856 173.184 331.631 PRESSAVG: 928600 41.8969 -90.9156 10.1198 -90.9157 -34.2789 -20.2416 10.1198 -20.2416 -15.851 GPRESSAVG: 928600 40.9863 -92.6256 12.3491 -90.3944 -34.1569 -22.1791 10.4122 -19.1998 -15.9153 TIMING: 928600 CPU: 2996.33, 0.00316565/step Wall: 2996.33, 0.00316565/step, 3.58018 hours remaining, 230.816406 MB of memory in use. ENERGY: 928600 3899.2800 20578.5421 14448.3362 251.8236 -203889.5776 3058.1692 0.0000 0.0000 52171.4974 -109481.9291 299.8303 -161653.4265 -109116.8297 299.8950 332.4407 362.0586 759259.9469 -2.7443 -3.0286 PRESSURE: 928800 -487.485 -104.782 -90.7704 -104.782 84.8064 93.0657 -90.7708 93.0654 -298.921 GPRESSURE: 928800 -377.823 -4.79762 -45.4621 -16.6846 127.698 146.224 -54.6641 54.4109 -367.878 PRESSAVG: 928800 20.6522 -54.9696 20.3272 -54.9696 20.6531 9.65639 20.3271 9.65642 -28.3125 GPRESSAVG: 928800 20.8648 -54.4554 19.6167 -53.8744 19.9755 9.08964 20.1168 10.1472 -27.5322 TIMING: 928800 CPU: 2996.96, 0.00316394/step Wall: 2996.96, 0.00316394/step, 3.57806 hours remaining, 231.074219 MB of memory in use. ENERGY: 928800 4038.1463 20565.5316 14444.6328 233.0542 -203329.7020 2338.5340 0.0000 0.0000 52080.6571 -109629.1459 299.3083 -161709.8030 -109256.4875 299.2909 -233.8667 -206.0010 760775.0136 4.3310 4.4360 PRESSURE: 929000 233.625 10.9035 30.0986 10.9045 -62.5012 -250.713 30.0992 -250.712 73.7529 GPRESSURE: 929000 152.455 -13.0939 39.8879 -30.4564 107.644 -176.649 93.1497 -324.264 71.5261 PRESSAVG: 929000 -5.58999 -70.3283 -26.7302 -70.3283 -2.49302 28.0352 -26.7302 28.0352 10.4176 GPRESSAVG: 929000 -6.00029 -68.7219 -27.1103 -72.2478 -1.26347 29.3236 -28.1874 27.3993 9.19128 TIMING: 929000 CPU: 2997.59, 0.00315318/step Wall: 2997.59, 0.00315318/step, 3.56572 hours remaining, 231.074219 MB of memory in use. ENERGY: 929000 3977.8871 20499.6441 14477.3780 262.9639 -203618.8636 2652.2461 0.0000 0.0000 52159.9782 -109588.7663 299.7641 -161748.7444 -109224.0248 299.1629 81.6254 110.5416 760485.9905 0.7782 0.6425 PRESSURE: 929200 -104.06 -77.6891 110.713 -77.6882 33.3417 59.4911 110.714 59.4897 -44.8525 GPRESSURE: 929200 -97.3058 37.3891 163.773 -66.127 71.0989 -24.1031 -32.5877 -28.0636 -23.2256 PRESSAVG: 929200 20.071 -42.1683 17.0289 -42.1683 -1.58252 -5.62477 17.0289 -5.62478 7.79046 GPRESSAVG: 929200 19.7909 -44.7115 17.2715 -41.4039 -2.27641 -7.15348 18.413 -5.09283 8.06702 TIMING: 929200 CPU: 2998.22, 0.00313491/step Wall: 2998.22, 0.00313491/step, 3.54489 hours remaining, 231.074219 MB of memory in use. ENERGY: 929200 4004.0653 20500.6655 14545.5562 248.0936 -203706.4093 2922.9603 0.0000 0.0000 51978.1714 -109506.8969 298.7193 -161485.0683 -109145.1869 299.5744 -38.5236 -16.4775 759859.6670 8.7596 8.5272 PRESSURE: 929400 -304.914 -48.3244 98.8419 -48.3249 -251.265 89.5178 98.8414 89.5179 -13.0708 GPRESSURE: 929400 -198.095 -30.0809 50.9717 -16.3036 -259.832 117.185 42.9463 -21.8919 -14.773 PRESSAVG: 929400 67.1426 -66.8039 33.4553 -66.804 -82.4435 37.4504 33.4553 37.4504 -2.31244 GPRESSAVG: 929400 66.7974 -65.6183 34.0101 -68.1969 -82.327 38.736 33.0289 37.1753 -1.74988 TIMING: 929400 CPU: 2998.85, 0.00315803/step Wall: 2998.85, 0.00315803/step, 3.57085 hours remaining, 231.074219 MB of memory in use. ENERGY: 929400 3972.8786 20667.1171 14588.3178 225.8341 -203027.9193 2379.3832 0.0000 0.0000 51827.3876 -109367.0007 297.8527 -161194.3883 -109008.9180 299.5047 -189.7500 -157.5667 762727.8535 -5.8711 -5.7598 PRESSURE: 929600 37.0378 73.3533 -29.1396 73.354 -127.482 80.3559 -29.1404 80.3559 -33.3545 GPRESSURE: 929600 80.712 66.2259 24.5136 -31.0905 -54.2575 76.6772 -38.0139 26.8297 -41.1406 PRESSAVG: 929600 55.0371 -9.33742 60.2426 -9.33741 -50.0563 42.0265 60.2426 42.0264 13.9277 GPRESSAVG: 929600 54.7163 -11.3893 60.1615 -9.03976 -50.5428 41.4145 59.6488 43.4717 14.895 TIMING: 929600 CPU: 2999.48, 0.00314175/step Wall: 2999.48, 0.00314175/step, 3.55228 hours remaining, 231.074219 MB of memory in use. ENERGY: 929600 3979.7238 20564.0643 14473.4693 235.9309 -203000.1834 2379.2244 0.0000 0.0000 52150.4906 -109217.2802 299.7096 -161367.7707 -108848.4014 300.0710 -41.2662 -4.8954 760393.5671 6.3028 6.3562 PRESSURE: 929800 222.51 -67.5972 -64.2259 -67.5971 -242.236 23.7948 -64.2253 23.7946 -152.44 GPRESSURE: 929800 266.011 -52.8469 -3.11048 -133.589 -196.84 12.8839 15.2993 4.61439 -166.517 PRESSAVG: 929800 50.6392 -70.7599 71.8099 -70.7599 -79.0357 -36.5735 71.81 -36.5735 -12.8391 GPRESSAVG: 929800 52.8073 -70.2049 71.3215 -71.1322 -80.297 -37.3356 72.5218 -37.4829 -13.8451 TIMING: 929800 CPU: 3000.11, 0.00316037/step Wall: 3000.11, 0.00316038/step, 3.57316 hours remaining, 231.074219 MB of memory in use. ENERGY: 929800 4002.7545 20504.3567 14511.1928 242.8246 -203056.6414 2276.4395 0.0000 0.0000 52221.0049 -109298.0682 300.1148 -161519.0732 -108929.9405 300.0243 -57.3886 -32.4486 762397.3397 -13.7452 -13.7783 PRESSURE: 930000 52.93 -23.0479 -179.574 -23.0489 -192.213 -118.961 -179.575 -118.959 -147.593 GPRESSURE: 930000 18.3612 29.7709 -90.3435 29.9944 -118.599 -13.2545 -264.319 -195.365 -91.0486 PRESSAVG: 930000 33.1705 -42.661 0.433257 -42.661 -50.3892 -8.70829 0.433246 -8.70831 -35.6601 GPRESSAVG: 930000 31.3765 -40.5255 1.0313 -42.5679 -49.5525 -7.67237 -0.11542 -7.32442 -35.1556 TIMING: 930000 CPU: 3000.74, 0.00316018/step Wall: 3000.74, 0.00316018/step, 3.57276 hours remaining, 231.144531 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: 930000 3925.2702 20482.0760 14513.9672 268.5903 -203431.2922 2512.7104 0.0000 0.0000 52475.1935 -109253.4845 301.5757 -161728.6780 -108889.8395 300.0449 -95.6254 -63.7622 761405.8449 -17.6263 -17.7772 PRESSURE: 930200 139.872 -186.64 -310.226 -186.641 -241.807 -153.67 -310.226 -153.669 139.937 GPRESSURE: 930200 133.744 -62.1659 -261.095 -230.703 -197.381 -169.551 -287.917 -156.826 180.398 PRESSAVG: 930200 39.3487 -40.0827 -38.6709 -40.0827 -67.4973 7.21665 -38.671 7.21662 -13.9815 GPRESSAVG: 930200 40.6141 -40.3143 -39.3617 -40.4524 -67.1153 8.05524 -38.8272 6.59756 -15.9547 TIMING: 930200 CPU: 3001.37, 0.00315924/step Wall: 3001.37, 0.00315924/step, 3.57152 hours remaining, 231.144531 MB of memory in use. ENERGY: 930200 4081.6935 20435.4115 14556.4951 257.5783 -203466.9779 2784.4602 0.0000 0.0000 52089.9603 -109261.3790 299.3617 -161351.3393 -108894.0747 300.1127 12.6673 38.9202 762586.8764 -14.0434 -14.1520 PRESSURE: 930400 -67.786 299.435 113.698 299.435 -49.128 188.516 113.698 188.516 123.474 GPRESSURE: 930400 -30.2345 220.791 102.294 303.49 -20.1777 147.394 49.6185 221.278 157.005 PRESSAVG: 930400 77.1368 -36.2356 -27.2747 -36.2356 -88.1769 -11.6096 -27.2747 -11.6097 -5.07521 GPRESSAVG: 930400 76.8713 -37.2437 -27.8224 -36.5584 -89.3112 -13.2149 -26.1847 -12.6415 -3.36661 TIMING: 930400 CPU: 3002.01, 0.00318678/step Wall: 3002.01, 0.00318678/step, 3.60248 hours remaining, 231.144531 MB of memory in use. ENERGY: 930400 4061.7938 20512.8567 14501.5390 255.2442 -203473.1691 2553.1874 0.0000 0.0000 52104.3828 -109484.1652 299.4446 -161588.5480 -109116.5431 299.5789 2.1868 35.5311 762230.6980 -5.3717 -5.2688 PRESSURE: 930600 -300.103 -92.9856 93.5138 -92.986 25.1261 -54.3627 93.5132 -54.3624 123.635 GPRESSURE: 930600 -188.845 14.7101 105.272 -170.062 17.4906 -81.2393 173.441 -148.087 113.116 PRESSAVG: 930600 0.753145 -51.9835 26.2622 -51.9835 -33.0813 30.5306 26.2622 30.5305 13.0866 GPRESSAVG: 930600 0.915692 -52.5358 26.1017 -51.1964 -34.2447 31.6418 26.3427 28.9292 13.5552 TIMING: 930600 CPU: 3002.65, 0.00318304/step Wall: 3002.65, 0.00318304/step, 3.59807 hours remaining, 231.144531 MB of memory in use. ENERGY: 930600 4030.7489 20650.9034 14429.7663 288.7678 -203524.8260 2592.0033 0.0000 0.0000 52210.3508 -109322.2855 300.0536 -161532.6363 -108957.1398 299.5309 -50.4472 -19.4125 760105.7128 -6.4139 -6.5913 PRESSURE: 930800 80.4936 -40.3792 -128.66 -40.3795 -31.343 28.3697 -128.661 28.3705 -204.818 GPRESSURE: 930800 108.092 16.7812 -222.05 -28.0125 -5.82939 -39.2201 -206.507 48.395 -175.654 PRESSAVG: 930800 -36.9125 -44.6234 -30.0299 -44.6234 3.55609 -6.32128 -30.0299 -6.32134 -12.241 GPRESSAVG: 930800 -38.1273 -43.3226 -28.7724 -46.3697 6.15373 -6.74935 -32.1079 -4.79716 -13.4442 TIMING: 930800 CPU: 3003.28, 0.00318866/step Wall: 3003.28, 0.00318866/step, 3.60425 hours remaining, 231.144531 MB of memory in use. ENERGY: 930800 4067.8824 20709.1361 14452.7856 284.0847 -203247.2211 2434.7648 0.0000 0.0000 51768.6120 -109529.9555 297.5149 -161298.5675 -109174.7232 299.5208 -51.8890 -24.4637 760319.4212 -15.1991 -15.1393 PRESSURE: 931000 -50.0187 -274.061 -82.4625 -274.062 200.683 -121.215 -82.4624 -121.215 170.598 GPRESSURE: 931000 -43.8183 -277.185 -42.1232 -248.564 250.773 -34.878 -43.1565 -89.2558 204.693 PRESSAVG: 931000 9.53284 -49.5039 7.69985 -49.504 37.9318 -24.625 7.69982 -24.6251 30.4755 GPRESSAVG: 931000 10.5339 -50.6236 6.94326 -47.0485 36.3436 -23.6185 9.2931 -24.1837 30.7961 TIMING: 931000 CPU: 3003.92, 0.00319104/step Wall: 3003.92, 0.00319104/step, 3.60676 hours remaining, 231.144531 MB of memory in use. ENERGY: 931000 3978.7952 20419.7009 14520.9291 239.2708 -203540.6659 2671.6117 0.0000 0.0000 52023.3981 -109686.9602 298.9792 -161710.3583 -109310.8861 298.7787 107.0875 137.2160 760399.8807 25.9801 25.8912 PRESSURE: 931200 -225.42 34.6914 216.827 34.6915 -475.696 181.228 216.827 181.227 -180.051 GPRESSURE: 931200 -162.771 134.563 208.497 -15.7982 -442.989 114.853 260.802 92.9822 -207.419 PRESSAVG: 931200 23.6755 -11.6086 70.8291 -11.6085 -39.584 37.8413 70.8291 37.8412 -1.30808 GPRESSAVG: 931200 24.3079 -12.1136 69.0489 -11.4082 -39.6554 39.1278 71.5087 39.3949 -1.32862 TIMING: 931200 CPU: 3004.57, 0.00321354/step Wall: 3004.57, 0.00321354/step, 3.63201 hours remaining, 231.144531 MB of memory in use. ENERGY: 931200 3982.9434 20587.4810 14484.6370 266.2498 -203355.0178 2328.6681 0.0000 0.0000 51950.9584 -109754.0802 298.5629 -161705.0386 -109392.9950 299.0576 -293.7224 -271.0599 762794.7386 -5.7389 -5.5587 PRESSURE: 931400 -84.5259 -63.8421 103.566 -63.8418 -182.552 -2.21587 103.565 -2.21453 116.194 GPRESSURE: 931400 -79.5221 -30.7631 61.9771 -12.6783 -48.1565 -28.9335 41.1121 -64.3607 38.1283 PRESSAVG: 931400 -19.2002 -18.7099 86.9597 -18.7098 79.3143 9.11171 86.9596 9.11168 14.3873 GPRESSAVG: 931400 -19.9841 -18.2295 88.7801 -19.2659 79.5175 8.16265 86.8955 6.8773 15.0556 TIMING: 931400 CPU: 3005.2, 0.00319859/step Wall: 3005.2, 0.00319859/step, 3.61494 hours remaining, 231.144531 MB of memory in use. ENERGY: 931400 4009.8835 20614.0043 14544.2648 251.1860 -203226.8278 2478.7487 0.0000 0.0000 51780.2134 -109548.5270 297.5816 -161328.7404 -109180.3122 298.9960 -50.2949 -29.8501 761681.7311 24.8338 24.8630 PRESSURE: 931600 -109.465 -134.989 -136.169 -134.988 -100.667 -28.1806 -136.168 -28.182 85.4673 GPRESSURE: 931600 -82.4165 -68.2265 -107.37 -197.76 -74.8335 -87.9856 -132.524 71.3632 143.698 PRESSAVG: 931600 2.03101 -79.9515 41.7139 -79.9515 -29.1789 5.6475 41.7139 5.64758 -2.80669 GPRESSAVG: 931600 0.0596127 -80.5506 42.0709 -80.0349 -26.6239 6.14514 41.5486 5.69255 -2.96164 TIMING: 931600 CPU: 3005.84, 0.00319361/step Wall: 3005.84, 0.00319361/step, 3.60914 hours remaining, 231.144531 MB of memory in use. ENERGY: 931600 4084.5059 20325.6521 14459.0879 225.2695 -203603.6051 2588.0799 0.0000 0.0000 52258.1963 -109662.8135 300.3286 -161921.0098 -109289.5547 299.5082 -41.5550 -4.5174 761660.6270 -9.9849 -9.8420 PRESSURE: 931800 -221.378 -198.748 -145.822 -198.748 -233.823 112.932 -145.822 112.932 126.312 GPRESSURE: 931800 -135.795 -91.7917 -150.674 -147.812 -226.438 154.324 1.45984 62.5014 124.086 PRESSAVG: 931800 34.6126 -88.5656 31.6273 -88.5656 -31.1258 16.891 31.6273 16.891 -1.42121 GPRESSAVG: 931800 35.8835 -87.2196 30.7186 -87.6876 -31.7339 16.645 32.0911 17.0317 -1.99063 TIMING: 931800 CPU: 3006.48, 0.00318104/step Wall: 3006.48, 0.00318104/step, 3.59476 hours remaining, 231.144531 MB of memory in use. ENERGY: 931800 3984.7572 20429.2630 14533.4447 244.1088 -203262.9537 2346.8947 0.0000 0.0000 52239.5553 -109484.9299 300.2214 -161724.4853 -109121.7492 299.8818 -109.6295 -79.3823 761386.2758 0.6885 0.7196 PRESSURE: 932000 37.3184 -256.039 -58.9139 -256.039 -397.732 60.3341 -58.9133 60.3338 -362.172 GPRESSURE: 932000 48.3894 -331.675 -71.3124 -190.301 -372.575 95.5195 -115.832 -61.4777 -319.964 PRESSAVG: 932000 66.3279 -67.4166 -31.2609 -67.4165 -51.7142 25.7227 -31.2609 25.7226 27.3987 GPRESSAVG: 932000 66.8455 -68.2881 -31.8959 -67.7392 -53.1898 24.5912 -32.5071 24.9295 27.9808 TIMING: 932000 CPU: 3007.12, 0.00319326/step Wall: 3007.12, 0.00319326/step, 3.60839 hours remaining, 231.144531 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: 932000 3940.8942 20453.0883 14475.6074 253.6441 -203523.5254 2599.2686 0.0000 0.0000 52264.8154 -109536.2075 300.3666 -161801.0229 -109172.2103 299.5392 -240.8622 -214.7165 759853.6278 14.0041 13.8789 PRESSURE: 932200 17.8317 10.6243 155.899 10.6248 -88.6775 253.828 155.9 253.828 189.344 GPRESSURE: 932200 -7.39039 -117.831 100.727 61.171 19.4896 276.21 223.373 184.639 213.814 PRESSAVG: 932200 35.7248 -31.1832 37.6483 -31.1832 -41.1547 -13.6248 37.6483 -13.6248 -8.6678 GPRESSAVG: 932200 35.4357 -33.554 37.9581 -31.1092 -40.7281 -13.7378 38.315 -13.3933 -8.79013 TIMING: 932200 CPU: 3007.76, 0.00319924/step Wall: 3007.76, 0.00319924/step, 3.61497 hours remaining, 231.144531 MB of memory in use. ENERGY: 932200 3936.2048 20516.5906 14469.5246 231.2716 -203261.4996 2458.3112 0.0000 0.0000 52161.7827 -109487.8142 299.7745 -161649.5968 -109127.0846 299.7689 39.4996 75.3046 760557.0540 -4.6992 -4.6941 LDB: ============= START OF LOAD BALANCING ============== 3020.18 LDB: ============== END OF LOAD BALANCING =============== 3020.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3020.18 LDB: ============= START OF LOAD BALANCING ============== 3020.5 LDB: Largest compute 7075 load 0.037824 is 19.3% of average load 0.195509 LDB: Average compute 0.004415 is 2.3% of average load 0.195509 LDB: TIME 3020.51 LOAD: AVG 0.195509 MAX 0.213718 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.328 MB LDB: TIME 3020.51 LOAD: AVG 0.195509 MAX 0.213718 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: TIME 3020.51 LOAD: AVG 0.195509 MAX 0.213718 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.328 MB LDB: ============== END OF LOAD BALANCING =============== 3020.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3020.51 PRESSURE: 932400 78.9359 -226.361 113.547 -226.36 -418.145 -163.91 113.548 -163.912 325.478 GPRESSURE: 932400 128.962 -214.567 170.168 -157.537 -341.967 -179.317 199.523 -123.451 280.985 PRESSAVG: 932400 84.2039 -81.5509 19.5438 -81.5508 -45.2041 -52.6654 19.5437 -52.6655 10.6345 GPRESSAVG: 932400 84.3053 -79.1662 22.2362 -83.0902 -44.7519 -52.378 18.3498 -53.0029 10.0995 TIMING: 932400 CPU: 3008.41, 0.00324115/step Wall: 3008.41, 0.00324115/step, 3.66214 hours remaining, 230.933594 MB of memory in use. ENERGY: 932400 3981.5993 20487.6593 14435.7727 254.1060 -203272.5843 2315.2033 0.0000 0.0000 52127.1701 -109671.0736 299.5756 -161798.2436 -109306.8452 299.4698 -4.5771 22.6598 760106.4094 16.5448 16.5510 PRESSURE: 932600 177.136 91.1066 -7.59286 91.1073 -26.3094 -258.922 -7.59284 -258.922 -201.332 GPRESSURE: 932600 247.969 -4.92011 -9.35771 56.3018 -17.5887 -291.729 -41.3555 -142.94 -194.134 PRESSAVG: 932600 42.9016 -31.4431 3.78564 -31.4431 -56.2087 -18.0709 3.78563 -18.0708 15.6425 GPRESSAVG: 932600 44.1471 -32.4797 1.44257 -30.2654 -57.0797 -17.3854 5.38115 -18.224 15.3171 TIMING: 932600 CPU: 3009.04, 0.00317537/step Wall: 3009.04, 0.00317537/step, 3.58764 hours remaining, 230.933594 MB of memory in use. ENERGY: 932600 4000.3772 20399.7470 14386.1409 233.0021 -202966.1360 2187.0097 0.0000 0.0000 52283.3187 -109476.5403 300.4730 -161759.8590 -109114.8338 299.3524 -16.8354 12.0822 760757.7392 0.7785 0.7948 PRESSURE: 932800 -306.547 202.136 137.822 202.136 -332.701 -1.623 137.821 -1.62397 -63.4457 GPRESSURE: 932800 -255.767 197.179 189.516 73.7932 -314.337 21.6769 68.0777 -22.2614 -38.9588 PRESSAVG: 932800 -4.49265 4.89856 48.304 4.89857 -35.5982 -28.2006 48.3041 -28.2005 1.74171 GPRESSAVG: 932800 -4.58453 3.66167 48.49 4.39139 -35.3542 -28.6728 46.2782 -26.9871 1.99658 TIMING: 932800 CPU: 3009.68, 0.00316743/step Wall: 3009.68, 0.00316743/step, 3.57849 hours remaining, 230.933594 MB of memory in use. ENERGY: 932800 3985.8186 20419.9978 14446.4114 244.0920 -202556.7749 2077.0725 0.0000 0.0000 52008.6894 -109374.6931 298.8947 -161383.3825 -109001.1335 299.6421 -234.2313 -203.0212 761697.5296 -12.7831 -12.6474 PRESSURE: 933000 160.107 -70.3775 209.326 -70.3773 -57.3309 -55.8239 209.326 -55.8231 25.8662 GPRESSURE: 933000 210.924 -145.752 196.595 19.9818 -25.3727 -1.00466 128.991 -59.353 43.2515 PRESSAVG: 933000 -7.53914 20.3435 26.0353 20.3435 31.4466 -26.3911 26.0354 -26.3911 30.5632 GPRESSAVG: 933000 -9.10579 19.5849 26.2 20.9491 33.5928 -27.3147 26.4025 -26.9389 29.6207 TIMING: 933000 CPU: 3010.31, 0.00316272/step Wall: 3010.31, 0.00316272/step, 3.57299 hours remaining, 230.933594 MB of memory in use. ENERGY: 933000 3960.2325 20486.4941 14421.1347 239.2652 -203110.7136 2346.2804 0.0000 0.0000 52305.5458 -109351.7611 300.6007 -161657.3068 -108987.5543 299.7515 42.8808 76.2677 760748.4930 18.1569 18.0359 PRESSURE: 933200 -198.484 129.718 -82.7961 129.718 52.0717 -39.4291 -82.7958 -39.4273 241.099 GPRESSURE: 933200 -70.6495 135.186 -35.6562 42.9769 81.3034 -66.1801 -126.373 -44.9053 162.873 PRESSAVG: 933200 -25.6617 -38.6087 38.5305 -38.6087 4.42886 24.5463 38.5305 24.5463 -8.23687 GPRESSAVG: 933200 -25.1023 -36.7641 38.8279 -40.3586 3.19396 25.1932 36.6945 23.6121 -6.95466 TIMING: 933200 CPU: 3010.94, 0.00315599/step Wall: 3010.94, 0.00315599/step, 3.56522 hours remaining, 230.933594 MB of memory in use. ENERGY: 933200 3960.3853 20410.9548 14430.7701 257.2729 -202888.0838 2306.2482 0.0000 0.0000 52175.3871 -109347.0653 299.8527 -161522.4524 -108983.1702 300.0863 31.5622 57.8424 760399.1903 -9.8232 -9.6210 PRESSURE: 933400 -126.184 16.8993 -19.3132 16.8994 -190.33 18.7549 -19.3135 18.7536 28.8974 GPRESSURE: 933400 -73.993 -87.7717 -70.0245 -9.52918 -258.851 -0.662182 39.0583 48.6227 123 PRESSAVG: 933400 24.7379 -18.4359 -9.58544 -18.4359 -4.03405 -5.42178 -9.58538 -5.42175 18.379 GPRESSAVG: 933400 25.0545 -18.0465 -10.0468 -17.6792 -3.86431 -5.79456 -8.57415 -2.67847 18.0175 TIMING: 933400 CPU: 3011.58, 0.00318063/step Wall: 3011.58, 0.00318063/step, 3.59287 hours remaining, 230.933594 MB of memory in use. ENERGY: 933400 3958.1195 20410.5925 14432.7618 236.7584 -202704.2553 2347.6576 0.0000 0.0000 51876.9315 -109441.4340 298.1374 -161318.3655 -109074.7462 299.7559 -95.8723 -69.9482 761271.4730 13.0276 13.0692 PRESSURE: 933600 -145.672 -4.71802 152.176 -4.71795 64.3296 13.038 152.176 13.0381 341.415 GPRESSURE: 933600 -154.978 39.9457 103.286 -78.9866 158.391 1.88795 10.5398 -32.0412 350.654 PRESSAVG: 933600 28.3611 -56.9559 -8.50153 -56.9559 -18.9729 -0.741928 -8.50154 -0.741942 -15.7273 GPRESSAVG: 933600 28.9597 -58.9269 -8.72178 -58.1562 -18.3941 0.477077 -9.56698 -2.92087 -16.5698 TIMING: 933600 CPU: 3012.21, 0.00316645/step Wall: 3012.21, 0.00316645/step, 3.57668 hours remaining, 230.933594 MB of memory in use. ENERGY: 933600 3972.6784 20394.6371 14470.0570 259.6872 -202816.2642 2235.1794 0.0000 0.0000 52148.9245 -109335.1006 299.7006 -161484.0251 -108961.6959 299.5063 86.6911 118.0223 761057.2264 -2.1130 -2.0014 PRESSURE: 933800 112.366 -18.0874 -182.448 -18.0873 231.085 14.7925 -182.449 14.7925 288.639 GPRESSURE: 933800 195.215 -74.3888 -242.08 16.6229 136.54 109.263 -49.5808 38.0293 410.178 PRESSAVG: 933800 3.37473 -34.2735 -33.3823 -34.2735 -2.49069 28.379 -33.3823 28.379 0.613435 GPRESSAVG: 933800 3.77364 -33.8365 -33.8122 -32.4252 -3.28119 28.5021 -30.7221 29.2713 1.12557 TIMING: 933800 CPU: 3012.84, 0.00317387/step Wall: 3012.84, 0.00317387/step, 3.58489 hours remaining, 230.933594 MB of memory in use. ENERGY: 933800 3870.5543 20512.0201 14463.8823 252.3113 -203265.5068 2843.9499 0.0000 0.0000 52007.2323 -109315.5567 298.8863 -161322.7889 -108963.1116 299.8396 210.6965 247.3109 761934.6063 0.4992 0.5393 PRESSURE: 934000 -255.958 83.4268 -78.0905 83.4263 -412.991 -82.0036 -78.0898 -82.0042 -353.527 GPRESSURE: 934000 -200.685 237.421 75.0922 12.9195 -422.479 -76.7936 -172.538 -115.77 -312.824 PRESSAVG: 934000 -5.64681 -44.8944 -0.294148 -44.8944 -7.91856 41.5292 -0.294177 41.5292 3.4493 GPRESSAVG: 934000 -6.73411 -44.8071 0.789181 -44.2692 -8.03285 40.3341 -0.640486 39.5544 4.39844 TIMING: 934000 CPU: 3013.48, 0.00316735/step Wall: 3013.48, 0.00316735/step, 3.57735 hours remaining, 230.933594 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: 934000 3968.5451 20555.8196 14446.5826 258.1615 -202496.9223 1954.3853 0.0000 0.0000 52023.9913 -109289.4369 298.9826 -161313.4281 -108920.2319 299.7616 -340.8254 -311.9959 762768.6177 -3.3720 -3.4562 PRESSURE: 934200 146.404 -217.504 120.913 -217.504 247.977 -87.6897 120.911 -87.6891 235.329 GPRESSURE: 934200 193.775 -216.499 83.9705 -214.649 323.292 -84.9893 59.7087 -78.9344 211.915 PRESSAVG: 934200 -15.1671 -69.8292 -18.4005 -69.8292 -13.8966 61.775 -18.4004 61.7751 -3.75826 GPRESSAVG: 934200 -13.6803 -68.2001 -20.0481 -72.2325 -14.4569 62.8445 -18.8478 63.9554 -4.43897 TIMING: 934200 CPU: 3014.11, 0.00317033/step Wall: 3014.11, 0.00317033/step, 3.58053 hours remaining, 230.933594 MB of memory in use. ENERGY: 934200 3958.6346 20458.3707 14448.4673 260.4519 -203058.0189 2533.4723 0.0000 0.0000 52245.3936 -109153.2286 300.2550 -161398.6222 -108794.0984 299.5848 209.9033 242.9941 760307.1121 -10.9406 -10.8587 PRESSURE: 934400 174.846 -9.1633 18.7956 -9.16396 -32.8771 10.6383 18.7953 10.6372 120.651 GPRESSURE: 934400 250.201 -76.5491 0.356998 -85.8753 23.586 -48.5202 121.478 -60.7625 106.457 PRESSAVG: 934400 17.6088 -68.6015 -50.5864 -68.6016 16.9326 9.07503 -50.5865 9.07511 0.175118 GPRESSAVG: 934400 17.2753 -69.9486 -51.7477 -70.0916 17.1436 8.58238 -49.805 5.68786 -0.196808 TIMING: 934400 CPU: 3014.75, 0.0032044/step Wall: 3014.75, 0.0032044/step, 3.61884 hours remaining, 230.933594 MB of memory in use. ENERGY: 934400 4024.3803 20702.4215 14430.4733 225.0721 -203014.2915 2366.0196 0.0000 0.0000 52065.3880 -109200.5366 299.2205 -161265.9245 -108849.2149 300.0705 87.5401 126.7480 759332.0134 11.5722 11.4074 PRESSURE: 934600 -13.0364 -206.017 -26.4111 -206.017 135.993 -104.707 -26.412 -104.708 -115.485 GPRESSURE: 934600 5.41368 -210.004 -30.4054 -163.317 194.544 -138.473 -6.74442 28.3542 -111.178 PRESSAVG: 934600 -2.67915 -48.6946 -32.0871 -48.6946 14.3132 -23.1713 -32.0872 -23.1713 11.1274 GPRESSAVG: 934600 -2.84463 -49.5288 -28.6872 -47.0028 14.4122 -22.6473 -33.2078 -21.3678 11.6039 TIMING: 934600 CPU: 3015.39, 0.00317801/step Wall: 3015.39, 0.00317801/step, 3.58886 hours remaining, 231.078125 MB of memory in use. ENERGY: 934600 3950.9542 20552.8820 14449.0381 251.0404 -203012.5856 2228.7897 0.0000 0.0000 52278.8047 -109301.0766 300.4470 -161579.8813 -108930.3352 300.1014 2.4907 29.5933 759471.7781 7.5872 7.7238 PRESSURE: 934800 -245.128 50.2203 -157.439 50.2192 -229.031 -142.902 -157.44 -142.901 -337.42 GPRESSURE: 934800 -216.346 -21.9393 -42.187 59.4808 -214.927 -89.2032 -120.502 -66.0852 -306.128 PRESSAVG: 934800 2.97351 -65.7463 4.11332 -65.7463 45.757 -2.68042 4.11335 -2.68039 3.22122 GPRESSAVG: 934800 3.17775 -63.8776 2.82565 -67.776 45.5948 -2.8303 5.46302 0.840524 2.92863 TIMING: 934800 CPU: 3016.02, 0.00316415/step Wall: 3016.02, 0.00316415/step, 3.57303 hours remaining, 231.078125 MB of memory in use. ENERGY: 934800 3948.3847 20626.8076 14478.8108 263.6456 -203114.4653 2342.0440 0.0000 0.0000 52065.3965 -109389.3762 299.2205 -161454.7727 -109026.0160 300.2126 -270.5265 -245.8004 760876.3840 17.3172 17.2337 PRESSURE: 935000 106.877 -287.361 154.797 -287.361 -125.845 2.36095 154.797 2.36098 28.0718 GPRESSURE: 935000 122.07 -202.562 61.4093 -255.269 -67.9917 31.7351 193.342 -191.642 37.2954 PRESSAVG: 935000 27.6943 -60.5135 -5.49323 -60.5134 -70.6306 38.8484 -5.49317 38.8484 12.852 GPRESSAVG: 935000 27.5598 -60.455 -4.97775 -58.7658 -70.2503 37.9724 -6.60621 35.463 13.2197 TIMING: 935000 CPU: 3016.65, 0.0031607/step Wall: 3016.65, 0.0031607/step, 3.56896 hours remaining, 231.078125 MB of memory in use. ENERGY: 935000 3951.4566 20695.7009 14493.3291 246.5989 -203050.8224 2383.6531 0.0000 0.0000 52188.9924 -109091.0915 299.9309 -161280.0838 -108731.7024 300.0924 3.0347 30.4580 762501.0533 -10.0281 -9.8236 PRESSURE: 935200 203.353 -224.309 -115.163 -224.31 31.7267 -135.462 -115.163 -135.461 144.887 GPRESSURE: 935200 158.641 -196.331 -91.6055 -167.403 78.677 -112.104 -186.712 -208.166 238.519 PRESSAVG: 935200 36.4074 -103.054 -3.35203 -103.054 -45.0481 31.7546 -3.35202 31.7546 -21.3759 GPRESSAVG: 935200 35.887 -104.62 -3.1262 -102.707 -45.1967 33.7026 -4.7753 31.4435 -20.3243 TIMING: 935200 CPU: 3017.29, 0.00317515/step Wall: 3017.29, 0.00317515/step, 3.5851 hours remaining, 231.078125 MB of memory in use. ENERGY: 935200 3972.8449 20716.5535 14472.0203 257.6102 -203471.0029 2721.9455 0.0000 0.0000 52367.3772 -108962.6513 300.9560 -161330.0286 -108593.4500 301.0450 126.6556 158.6121 761731.4187 -10.0055 -9.8780 PRESSURE: 935400 108.406 -341.52 -111.153 -341.52 469.042 32.9863 -111.153 32.9872 -69.5472 GPRESSURE: 935400 53.7254 -193.21 -48.3856 -404.595 575.379 53.8418 -182.566 15.6694 -37.4524 PRESSAVG: 935400 -22.8561 -97.6371 -42.4801 -97.6371 3.17509 -40.8769 -42.4802 -40.8769 28.2366 GPRESSAVG: 935400 -21.5722 -97.6986 -43.105 -97.4188 3.10406 -41.3657 -42.1092 -40.8256 26.7814 TIMING: 935400 CPU: 3017.93, 0.00318975/step Wall: 3017.93, 0.00318975/step, 3.60141 hours remaining, 231.078125 MB of memory in use. ENERGY: 935400 3899.2504 20539.7222 14525.5259 257.4859 -203255.5013 2507.4978 0.0000 0.0000 52401.8363 -109124.1828 301.1541 -161526.0191 -108763.0425 300.7667 169.3003 197.2175 761479.2806 2.8519 2.7711 PRESSURE: 935600 18.7001 85.0318 -100.555 85.0312 44.6596 -28.5761 -100.554 -28.5769 186.258 GPRESSURE: 935600 -62.1974 122.913 -72.482 171.027 160.334 -5.95823 21.7623 -107.066 242.291 PRESSAVG: 935600 -42.4576 -23.6362 -25.4225 -23.6363 68.3576 -44.5297 -25.4225 -44.5296 -9.33546 GPRESSAVG: 935600 -42.6396 -24.7605 -27.0816 -22.5078 68.5227 -45.9414 -23.1666 -42.5988 -9.34807 TIMING: 935600 CPU: 3018.57, 0.00323213/step Wall: 3018.57, 0.00323213/step, 3.64908 hours remaining, 231.078125 MB of memory in use. ENERGY: 935600 3914.8434 20646.0530 14508.5756 245.1131 -203080.2553 2245.1883 0.0000 0.0000 52211.9816 -109308.5003 300.0630 -161520.4819 -108960.1996 300.0014 83.2058 113.4758 760996.1749 5.5215 5.5117 PRESSURE: 935800 27.0116 -288.369 -74.5956 -288.369 82.2755 11.9612 -74.5946 11.9604 -325.156 GPRESSURE: 935800 143.21 -176.187 -80.2971 -380.203 36.5355 7.22268 -101.735 73.0898 -315.841 PRESSAVG: 935800 1.19241 -15.9261 -13.491 -15.9261 -5.11317 -41.0108 -13.491 -41.0108 -35.0011 GPRESSAVG: 935800 1.67949 -14.5473 -12.5612 -18.0264 -6.40752 -39.5767 -14.6186 -40.788 -35.1145 TIMING: 935800 CPU: 3019.21, 0.00320077/step Wall: 3019.21, 0.00320077/step, 3.61349 hours remaining, 231.078125 MB of memory in use. ENERGY: 935800 3930.0536 20738.9456 14443.9112 233.7933 -203291.1879 2431.7595 0.0000 0.0000 52018.7034 -109494.0212 298.9522 -161512.7247 -109148.7501 299.5608 -71.9564 -45.3652 763423.6045 -12.9739 -13.2808 PRESSURE: 936000 -244.972 -135.543 -56.6244 -135.543 -48.2433 15.6377 -56.6248 15.6361 269.455 GPRESSURE: 936000 -143.663 -202.44 -85.7026 -130.053 -135.727 42.1828 22.0095 -156.036 338.061 PRESSAVG: 936000 19.489 -25.0151 -23.8643 -25.0151 36.2766 -11.3387 -23.8642 -11.3386 -19.4358 GPRESSAVG: 936000 17.9005 -26.1905 -25.3493 -24.78 36.6431 -12.9184 -24.3307 -11.7612 -18.4816 TIMING: 936000 CPU: 3019.85, 0.0032084/step Wall: 3019.85, 0.0032084/step, 3.62193 hours remaining, 231.078125 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: 936000 4037.5939 20503.3753 14462.0931 228.3185 -203288.7391 2445.6741 0.0000 0.0000 52146.7339 -109464.9504 299.6880 -161611.6843 -109098.6891 299.4980 -7.9198 19.5570 760208.0000 12.1099 12.0206 PRESSURE: 936200 168.887 -99.9239 -83.9185 -99.9238 -93.4153 48.9699 -83.9185 48.9697 396.628 GPRESSURE: 936200 134.831 -132.909 -98.8384 -156.922 -21.7326 -14.0051 122.715 80.5106 431.035 PRESSAVG: 936200 62.2309 -26.1235 -38.5728 -26.1235 -26.0681 -22.6668 -38.5728 -22.6669 -20.3124 GPRESSAVG: 936200 63.3228 -27.3403 -38.7244 -26.4426 -26.5478 -20.8209 -36.924 -23.204 -21.2496 TIMING: 936200 CPU: 3020.49, 0.0031859/step Wall: 3020.49, 0.0031859/step, 3.59636 hours remaining, 231.078125 MB of memory in use. ENERGY: 936200 3962.3097 20447.3321 14435.0769 242.9251 -203096.6222 2355.3375 0.0000 0.0000 51982.2634 -109671.3777 298.7428 -161653.6411 -109314.9931 299.3822 157.3667 181.3779 761301.6696 5.2834 5.1751 LDB: ============= START OF LOAD BALANCING ============== 3032.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3032.92 LDB: =============== DONE WITH MIGRATION ================ 3032.92 LDB: ============= START OF LOAD BALANCING ============== 3033.24 LDB: Largest compute 7024 load 0.034773 is 17.8% of average load 0.195485 LDB: Average compute 0.004402 is 2.3% of average load 0.195485 LDB: TIME 3033.24 LOAD: AVG 0.195485 MAX 0.215545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.875 MB LDB: TIME 3033.24 LOAD: AVG 0.195485 MAX 0.215545 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.914 MB LDB: TIME 3033.24 LOAD: AVG 0.195485 MAX 0.215545 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.914 MB LDB: ============== END OF LOAD BALANCING =============== 3033.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3033.25 PRESSURE: 936400 159.915 90.6256 88.9104 90.6256 -106.067 195.305 88.9104 195.305 -135.597 GPRESSURE: 936400 198.771 95.2446 22.9954 60.3505 -173.434 153.245 38.329 158.36 -44.3792 PRESSAVG: 936400 87.6205 -33.1124 -9.0177 -33.1124 -86.7381 46.552 -9.01772 46.552 20.1407 GPRESSAVG: 936400 87.4908 -30.4228 -7.95755 -33.7534 -86.1715 45.5585 -11.4716 47.8689 20.1653 TIMING: 936400 CPU: 3021.14, 0.00325104/step Wall: 3021.14, 0.00325104/step, 3.6697 hours remaining, 230.617188 MB of memory in use. ENERGY: 936400 3943.9372 20421.7530 14485.8760 242.7057 -203233.4891 2468.5153 0.0000 0.0000 52282.7513 -109387.9507 300.4697 -161670.7020 -109025.0978 299.5626 -27.2497 -6.3472 761503.9318 7.0077 7.1616 PRESSURE: 936600 -516.917 -13.162 313.279 -13.1623 -183.76 -255.848 313.28 -255.847 -275.437 GPRESSURE: 936600 -482.458 27.9049 326.026 -62.8841 -172.122 -261.422 225.991 -286.654 -265.701 PRESSAVG: 936600 51.0224 -33.8359 35.4645 -33.8359 -12.3916 34.2311 35.4646 34.2312 12.5804 GPRESSAVG: 936600 50.6355 -35.2884 35.2925 -33.9839 -12.4133 33.5034 35.6268 33.4776 12.815 TIMING: 936600 CPU: 3021.78, 0.00317375/step Wall: 3021.78, 0.00317375/step, 3.58228 hours remaining, 230.617188 MB of memory in use. ENERGY: 936600 3964.9262 20524.0742 14516.6078 229.2492 -202974.1785 2188.6873 0.0000 0.0000 52010.6232 -109540.0105 298.9058 -161550.6337 -109184.7791 299.3138 -325.3715 -306.7605 761810.9604 17.0704 17.0124 PRESSURE: 936800 73.6676 -99.8954 -472.625 -99.8963 251.883 -66.377 -472.625 -66.3782 24.8143 GPRESSURE: 936800 188.105 -208.515 -475.109 -26.0736 302.576 -31.4555 -219.817 -2.95166 -38.6102 PRESSAVG: 936800 22.4931 -52.1232 23.619 -52.1232 -16.2814 -14.1231 23.619 -14.1231 -2.14405 GPRESSAVG: 936800 22.7804 -53.2606 23.4252 -50.3267 -15.7087 -13.8564 24.3009 -12.6986 -2.72535 TIMING: 936800 CPU: 3022.41, 0.00317386/step Wall: 3022.41, 0.00317386/step, 3.58223 hours remaining, 230.687500 MB of memory in use. ENERGY: 936800 3967.5198 20355.5787 14468.9871 235.8359 -203105.2436 2398.0889 0.0000 0.0000 52141.3329 -109537.9004 299.6570 -161679.2332 -109172.7164 299.2512 116.7882 150.6905 758968.0487 1.3559 1.4488 PRESSURE: 937000 -194.107 172.801 -85.4179 172.802 -23.9738 -34.9692 -85.4176 -34.9696 -222.287 GPRESSURE: 937000 -75.1256 104.559 -143.67 67.2191 -75.6588 8.75382 6.37726 -59.8538 -202.923 PRESSAVG: 937000 15.3423 -42.7118 38.9143 -42.7118 8.89739 9.59725 38.9143 9.5973 1.82723 GPRESSAVG: 937000 16.1006 -40.1078 38.5236 -44.4827 7.4006 10.0908 40.6669 8.89565 2.15717 TIMING: 937000 CPU: 3023.05, 0.00318794/step Wall: 3023.05, 0.00318794/step, 3.59795 hours remaining, 230.890625 MB of memory in use. ENERGY: 937000 3980.6552 20440.4935 14409.5873 240.7810 -202703.1377 2121.4073 0.0000 0.0000 51849.7355 -109660.4780 297.9811 -161510.2135 -109300.7180 299.5177 -146.7892 -117.9024 760277.7977 8.6890 8.5528 PRESSURE: 937200 -73.9615 -9.61991 82.6841 -9.62014 -116.832 -229.671 82.6838 -229.671 5.94831 GPRESSURE: 937200 -43.4115 -78.9304 77.5551 -60.8567 -115.389 -215.239 26.9486 -250.041 51.9368 PRESSAVG: 937200 7.58564 -36.6148 -3.04519 -36.6147 8.96663 17.4188 -3.04524 17.4189 20.5464 GPRESSAVG: 937200 8.07345 -38.5515 -1.98826 -35.9843 8.56769 17.7262 -5.85757 15.8034 20.7319 TIMING: 937200 CPU: 3023.69, 0.00318833/step Wall: 3023.69, 0.00318833/step, 3.5982 hours remaining, 230.890625 MB of memory in use. ENERGY: 937200 4012.5266 20470.6670 14480.2675 247.1502 -203166.1934 2162.0630 0.0000 0.0000 52040.0164 -109753.5027 299.0747 -161793.5191 -109386.5469 298.8275 -61.6149 -35.6211 759817.7269 12.3662 12.4577 PRESSURE: 937400 -134.21 -77.6132 -42.5277 -77.6133 74.518 176.819 -42.527 176.819 -53.5929 GPRESSURE: 937400 -50.3241 -160.397 -113.715 -80.2058 123.799 227.392 115.987 72.0118 -84.4823 PRESSAVG: 937400 -2.95641 -12.9239 -3.19166 -12.9238 -3.49589 15.509 -3.1917 15.5089 -11.1667 GPRESSAVG: 937400 -4.83195 -11.2703 -4.44646 -13.7137 -1.91423 14.9733 -3.19777 16.494 -11.3168 TIMING: 937400 CPU: 3024.32, 0.00317421/step Wall: 3024.32, 0.00317421/step, 3.5821 hours remaining, 230.890625 MB of memory in use. ENERGY: 937400 3969.3428 20626.2009 14445.2641 251.4869 -203007.6564 2179.2179 0.0000 0.0000 51944.8388 -109591.3050 298.5277 -161536.1438 -109230.1635 299.3062 -37.7617 -3.6692 760277.6421 -5.8730 -6.0210 PRESSURE: 937600 -109.351 1.5963 -126.151 1.59582 -406.255 -222.403 -126.151 -222.403 173.099 GPRESSURE: 937600 -52.912 22 -125.933 -21.4577 -384.538 -150.29 -174.759 -154.996 184.949 PRESSAVG: 937600 10.7732 -31.4294 -7.91549 -31.4295 15.6411 -23.8184 -7.91548 -23.8185 4.6307 GPRESSAVG: 937600 10.7978 -31.1072 -6.96588 -30.3043 14.6725 -23.2045 -7.20276 -23.5576 4.96286 TIMING: 937600 CPU: 3024.95, 0.00316316/step Wall: 3024.95, 0.00316316/step, 3.56946 hours remaining, 230.945312 MB of memory in use. ENERGY: 937600 4028.7934 20670.2975 14467.0732 250.0255 -203141.7691 2433.8948 0.0000 0.0000 51920.2968 -109371.3879 298.3867 -161291.6847 -109013.4720 299.6175 -114.1689 -84.1669 761271.6784 10.3483 10.1444 PRESSURE: 937800 -158.08 19.2407 454.481 19.241 8.73114 42.271 454.481 42.2711 44.5151 GPRESSURE: 937800 -21.3024 9.53864 399.063 46.3148 -9.6311 131.968 436.37 -46.8137 20.1222 PRESSAVG: 937800 24.5572 -20.8978 -5.68079 -20.8978 -21.2906 -5.57396 -5.68076 -5.57393 12.1586 GPRESSAVG: 937800 25.1822 -20.4184 -5.90867 -21.7167 -21.3344 -7.82086 -6.38468 -3.46259 11.8619 TIMING: 937800 CPU: 3025.59, 0.00317433/step Wall: 3025.59, 0.00317433/step, 3.58188 hours remaining, 230.945312 MB of memory in use. ENERGY: 937800 4066.8708 20657.4217 14356.0862 232.6069 -203325.5964 2468.9191 0.0000 0.0000 52098.2118 -109445.4798 299.4091 -161543.6916 -109094.0474 299.9549 -34.9444 -3.6038 762183.6142 5.1418 5.2365 PRESSURE: 938000 136.519 -139.754 -247.913 -139.753 -12.8517 61.5654 -247.913 61.5645 67.7077 GPRESSURE: 938000 173.133 -138.845 -274.163 -45.4849 -47.7068 69.2756 -99.1601 -15.3806 132.521 PRESSAVG: 938000 -4.36538 -24.5926 50.7411 -24.5925 15.1034 29.5182 50.7411 29.5182 -4.55165 GPRESSAVG: 938000 -3.18413 -26.07 49.8331 -23.7498 13.187 30.2212 49.7892 28.0107 -3.97013 TIMING: 938000 CPU: 3026.22, 0.00317514/step Wall: 3026.22, 0.00317514/step, 3.58262 hours remaining, 230.945312 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: 938000 3950.7132 20641.0478 14493.7194 251.2067 -203645.2039 2563.7050 0.0000 0.0000 51979.3044 -109765.5074 298.7258 -161744.8119 -109408.3781 299.9248 63.7918 85.9825 759601.8123 2.0621 2.0109 PRESSURE: 938200 -159.686 -165.776 -53.8757 -165.777 153.163 69.0061 -53.8768 69.0063 -371.979 GPRESSURE: 938200 -112.919 -186.817 13.177 -109.786 185.842 135.528 -25.589 54.9478 -380.642 PRESSAVG: 938200 64.382 -17.5323 -45.9498 -17.5323 -59.6191 -2.89763 -45.9499 -2.89761 16.0532 GPRESSAVG: 938200 62.8037 -15.7904 -44.4141 -19.1167 -57.9236 -1.38516 -42.3228 -1.91595 15.5625 TIMING: 938200 CPU: 3026.86, 0.00317576/step Wall: 3026.86, 0.00317576/step, 3.58314 hours remaining, 230.945312 MB of memory in use. ENERGY: 938200 4048.8080 20497.6757 14435.1140 234.1119 -203648.9739 2634.8787 0.0000 0.0000 52095.1532 -109703.2324 299.3916 -161798.3856 -109335.4503 298.8538 -126.1675 -102.5729 759928.8146 6.9387 6.8142 PRESSURE: 938400 392.565 -104.438 -23.5091 -104.438 -34.2379 35.6536 -23.5097 35.654 -251.2 GPRESSURE: 938400 340.465 -45.6383 -65.4769 -93.2341 118.458 42.6482 -55.5704 -145.692 -266.623 PRESSAVG: 938400 62.3379 20.3652 -17.8949 20.3652 -35.3948 58.3649 -17.8949 58.3649 1.75737 GPRESSAVG: 938400 62.369 17.098 -17.5269 23.0126 -34.7394 57.3625 -21.8857 57.6916 1.07297 TIMING: 938400 CPU: 3027.49, 0.00316445/step Wall: 3027.49, 0.00316445/step, 3.5702 hours remaining, 230.945312 MB of memory in use. ENERGY: 938400 4021.1958 20503.8716 14439.1547 253.8361 -203385.9155 2336.9858 0.0000 0.0000 52372.6548 -109458.2168 300.9864 -161830.8716 -109089.6002 299.3539 35.7090 64.0999 759385.1593 9.5668 9.5675 PRESSURE: 938600 -289.544 218.538 8.92578 218.538 -152.137 293.29 8.92562 293.289 -197.841 GPRESSURE: 938600 -220.576 204.275 60.144 141.187 -109.966 265.544 7.60996 289.331 -207.454 PRESSAVG: 938600 33.5658 -1.86332 11.2212 -1.86338 -11.4886 59.6516 11.2212 59.6516 7.86999 GPRESSAVG: 938600 33.0075 0.445024 11.0905 -2.72257 -12.4408 59.7003 11.9193 59.333 9.47715 TIMING: 938600 CPU: 3028.12, 0.00316239/step Wall: 3028.12, 0.00316239/step, 3.5677 hours remaining, 230.945312 MB of memory in use. ENERGY: 938600 4021.1860 20684.5534 14437.4299 259.0347 -203260.6419 2400.2025 0.0000 0.0000 51957.0776 -109501.1578 298.5980 -161458.2354 -109141.2652 299.3503 -213.1741 -179.3321 761448.7078 9.9824 10.0146 PRESSURE: 938800 210.734 -44.3537 -21.2578 -44.354 2.6074 44.2115 -21.258 44.2104 133.093 GPRESSURE: 938800 228.584 -31.9519 17.0171 -170.646 44.4255 21.6935 78.1092 103.935 159.18 PRESSAVG: 938800 8.42413 -12.7792 -5.19611 -12.7791 -51.9055 46.3729 -5.19604 46.3729 -2.44626 GPRESSAVG: 938800 9.69111 -11.3266 -6.53501 -14.6096 -51.5278 46.3648 -3.54951 47.2913 -4.27714 TIMING: 938800 CPU: 3028.76, 0.00317536/step Wall: 3028.76, 0.00317536/step, 3.58216 hours remaining, 230.945312 MB of memory in use. ENERGY: 938800 3915.8105 20579.9697 14400.8186 253.5395 -203277.1563 2369.1496 0.0000 0.0000 52227.1188 -109530.7496 300.1500 -161757.8684 -109158.4758 299.4955 115.4780 144.0634 760605.9858 -15.3092 -15.3713 PRESSURE: 939000 222.216 -176.344 -278.844 -176.344 -93.3517 101.699 -278.844 101.699 174.499 GPRESSURE: 939000 267.851 -132.31 -234.97 -178.68 -34.9378 22.0676 -222.228 -50.986 170.808 PRESSAVG: 939000 22.7425 -39.0417 30.2045 -39.0416 -59.9822 -25.9152 30.2045 -25.9152 -4.26949 GPRESSAVG: 939000 22.7791 -42.2314 30.8488 -35.665 -59.1604 -26.3616 31.0621 -26.897 -4.11874 TIMING: 939000 CPU: 3029.39, 0.00318126/step Wall: 3029.39, 0.00318126/step, 3.58864 hours remaining, 230.945312 MB of memory in use. ENERGY: 939000 4000.2409 20560.5697 14487.9168 252.8305 -203388.4542 2381.0771 0.0000 0.0000 52182.2510 -109523.5683 299.8921 -161705.8192 -109159.2840 299.9081 101.1212 134.5736 759546.2032 -13.8364 -13.5000 PRESSURE: 939200 184.163 -146.601 -149.872 -146.601 -0.599164 -148.003 -149.871 -148.004 222.969 GPRESSURE: 939200 174.377 -36.8063 -85.1933 -173.746 126.783 -156.98 -20.8329 -90.0667 200.849 PRESSAVG: 939200 35.3343 -33.2072 15.7827 -33.2071 -17.5632 -5.86359 15.7827 -5.86348 22.1934 GPRESSAVG: 939200 35.2333 -31.6537 15.5261 -34.9596 -18.0647 -4.12805 15.0161 -7.66368 22.4763 TIMING: 939200 CPU: 3030.04, 0.00320917/step Wall: 3030.04, 0.00320917/step, 3.61994 hours remaining, 230.945312 MB of memory in use. ENERGY: 939200 3961.0006 20632.8671 14450.8784 238.6344 -203825.0837 2789.4853 0.0000 0.0000 52304.1664 -109448.0516 300.5928 -161752.2180 -109093.7443 299.9204 135.5110 167.3363 761625.3918 13.3215 13.2150 PRESSURE: 939400 -366.694 -295.406 164.588 -295.406 -174.523 -134.604 164.589 -134.603 -31.6245 GPRESSURE: 939400 -360.635 -222.034 115.595 -199 -136.841 -108.279 71.2148 80.2289 24.5111 PRESSAVG: 939400 -26.2422 -23.543 -73.1348 -23.543 -29.3296 29.9949 -73.1349 29.9949 0.773041 GPRESSAVG: 939400 -25.6143 -23.5238 -73.0373 -23.2759 -30.6708 27.9946 -74.8552 31.068 1.70099 TIMING: 939400 CPU: 3030.67, 0.00318291/step Wall: 3030.67, 0.00318291/step, 3.59014 hours remaining, 230.945312 MB of memory in use. ENERGY: 939400 3957.9050 20658.0163 14499.7316 263.1329 -203136.0404 2086.5099 0.0000 0.0000 52204.7509 -109465.9938 300.0214 -161670.7448 -109097.2703 299.7756 -190.9474 -157.6550 761241.6073 -18.2663 -18.1947 PRESSURE: 939600 -145.172 124.997 -8.67816 124.997 136.113 93.2453 -8.67754 93.2466 -10.9513 GPRESSURE: 939600 -72.504 -40.5358 -28.0577 35.311 194.461 7.61134 95.4554 54.4414 -54.8472 PRESSAVG: 939600 -0.244365 -52.606 -43.8215 -52.606 43.3753 51.1386 -43.8216 51.1386 12.2373 GPRESSAVG: 939600 -1.36722 -53.4315 -42.5927 -53.632 44.7704 52.1346 -43.8888 51.4162 11.694 TIMING: 939600 CPU: 3031.31, 0.00320187/step Wall: 3031.31, 0.00320187/step, 3.61135 hours remaining, 230.945312 MB of memory in use. ENERGY: 939600 4032.1381 20619.0862 14545.8000 247.9571 -203550.5667 2719.3347 0.0000 0.0000 52180.7839 -109205.4666 299.8837 -161386.2506 -108845.5819 300.0944 -6.6701 22.3699 760856.7415 18.4561 18.3657 PRESSURE: 939800 215.736 298.167 -113.841 298.166 -175.836 135.295 -113.841 135.296 -31.3371 GPRESSURE: 939800 146.11 156.211 -118.757 368.481 -61.0488 57.7943 -92.555 207.031 18.0786 PRESSAVG: 939800 0.650173 -0.276543 -10.9181 -0.276585 -1.80239 11.5888 -10.9181 11.5888 5.46159 GPRESSAVG: 939800 0.767163 1.69125 -11.7542 2.18612 -1.31902 10.6945 -9.65741 12.5731 5.29485 TIMING: 939800 CPU: 3031.95, 0.00319324/step Wall: 3031.95, 0.00319324/step, 3.60144 hours remaining, 230.945312 MB of memory in use. ENERGY: 939800 4043.4904 20739.2941 14534.1527 257.6957 -203096.6420 2342.8249 0.0000 0.0000 52019.4945 -109159.6897 298.9567 -161179.1842 -108801.0186 300.4737 2.8543 34.3798 759609.7493 1.4365 1.5810 PRESSURE: 940000 -167.415 -2.85702 -117.084 -2.85609 154.056 405.941 -117.084 405.941 -238.514 GPRESSURE: 940000 -160.986 -49.9323 -176.112 -68.1089 212.782 363.301 -92.9458 351.384 -214.561 PRESSAVG: 940000 -5.6052 -32.7942 -36.052 -32.7942 17.6151 44.9687 -36.052 44.9687 -22.4332 GPRESSAVG: 940000 -5.93903 -35.1849 -36.1126 -32.0941 18.1711 45.1395 -37.6233 43.2137 -22.4672 TIMING: 940000 CPU: 3032.59, 0.00320391/step Wall: 3032.59, 0.00320391/step, 3.6133 hours remaining, 230.945312 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: 940000 3966.9209 20558.3289 14509.1650 249.4410 -202883.2724 2322.3855 0.0000 0.0000 52435.6108 -108841.4203 301.3482 -161277.0311 -108466.9735 300.8941 -83.9577 -54.2550 760412.4484 -3.4744 -3.4117 PRESSURE: 940200 -47.0949 -180.703 -68.9978 -180.704 -37.7094 -68.9673 -68.9975 -68.9677 -376.439 GPRESSURE: 940200 -43.1978 -311.74 -81.7539 -189.544 -18.7868 -65.7381 56.8408 75.6905 -329.825 PRESSAVG: 940200 -15.9066 -45.6359 -21.2838 -45.6359 50.0513 57.8022 -21.2837 57.8023 -30.3421 GPRESSAVG: 940200 -17.0444 -46.2291 -21.3044 -47.8544 50.5676 59.6242 -20.0994 55.9192 -29.4897 TIMING: 940200 CPU: 3033.23, 0.00319185/step Wall: 3033.23, 0.00319185/step, 3.59951 hours remaining, 230.945312 MB of memory in use. ENERGY: 940200 4028.6541 20361.5653 14470.5998 250.4131 -202870.4753 2199.1252 0.0000 0.0000 52666.7192 -108893.3985 302.6764 -161560.1177 -108513.7202 300.9916 -153.7477 -130.6031 760448.7329 1.2675 1.3445 LDB: ============= START OF LOAD BALANCING ============== 3045.66 LDB: ============== END OF LOAD BALANCING =============== 3045.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3045.66 LDB: ============= START OF LOAD BALANCING ============== 3045.98 LDB: Largest compute 7070 load 0.038937 is 19.9% of average load 0.195429 LDB: Average compute 0.004401 is 2.3% of average load 0.195429 LDB: TIME 3045.98 LOAD: AVG 0.195429 MAX 0.213743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.648 MB LDB: TIME 3045.98 LOAD: AVG 0.195429 MAX 0.213743 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.648 MB LDB: TIME 3045.98 LOAD: AVG 0.195429 MAX 0.213743 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.648 MB LDB: ============== END OF LOAD BALANCING =============== 3045.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3045.99 PRESSURE: 940400 9.0435 -30.4583 187.455 -30.457 -350.53 -111.674 187.455 -111.674 -372.35 GPRESSURE: 940400 103.487 -37.4175 161.822 -102.909 -289.051 -177.354 -10.7813 -61.855 -425.998 PRESSAVG: 940400 -17.4473 -61.0609 5.24928 -61.0609 23.9418 22.6791 5.24932 22.679 8.81033 GPRESSAVG: 940400 -15.0681 -60.2326 4.21979 -61.0558 22.7804 20.1575 6.39769 25.4145 7.77486 TIMING: 940400 CPU: 3033.88, 0.00325667/step Wall: 3033.88, 0.00325667/step, 3.67244 hours remaining, 232.867188 MB of memory in use. ENERGY: 940400 4014.3618 20743.0711 14433.4755 252.4053 -202504.9930 2108.6449 0.0000 0.0000 52269.4218 -108683.6126 300.3931 -160953.0344 -108316.7058 300.6934 -237.9455 -203.8537 762150.7571 5.1016 5.1624 PRESSURE: 940600 -110.562 200.501 -108.234 200.501 -175.827 -98.4676 -108.234 -98.4672 -96.5873 GPRESSURE: 940600 -127.212 116.392 -54.7807 251.332 -61.7544 -41.6803 52.6547 -135.316 -113.648 PRESSAVG: 940600 0.557918 -21.5471 7.72825 -21.547 12.5331 23.7275 7.72824 23.7275 8.22051 GPRESSAVG: 940600 1.83193 -22.5031 7.69298 -20.8114 11.8573 23.0874 6.49288 23.816 7.61457 TIMING: 940600 CPU: 3034.52, 0.00318986/step Wall: 3034.52, 0.00318986/step, 3.59693 hours remaining, 232.937500 MB of memory in use. ENERGY: 940600 4082.8580 20724.2470 14443.6838 246.6222 -202707.2497 2371.7097 0.0000 0.0000 52068.8486 -108769.2804 299.2404 -160838.1290 -108416.5241 301.3287 -127.6589 -100.8713 761033.3833 7.1038 7.1013 PRESSURE: 940800 -136.935 -365.06 -59.168 -365.06 206.118 72.9553 -59.1688 72.956 -193.03 GPRESSURE: 940800 -138.015 -403.858 -191.165 -352.784 201.403 129.126 -68.3888 34.9792 -102.757 PRESSAVG: 940800 23.0741 -22.88 42.7965 -22.8801 19.5409 4.31502 42.7964 4.31506 14.9388 GPRESSAVG: 940800 20.0061 -21.3681 43.6535 -21.1194 21.0853 6.39834 43.0865 4.17415 16.6899 TIMING: 940800 CPU: 3035.16, 0.00319548/step Wall: 3035.16, 0.00319548/step, 3.60308 hours remaining, 233.140625 MB of memory in use. ENERGY: 940800 4069.4474 20717.5805 14345.9003 232.2208 -203341.7312 2584.0281 0.0000 0.0000 52428.8565 -108963.6977 301.3094 -161392.5542 -108599.8735 301.3062 -41.2823 -13.1231 761629.6634 19.1846 19.2604 PRESSURE: 941000 104.141 31.0364 79.7749 31.0359 -485.345 -152.946 79.7746 -152.946 -503.314 GPRESSURE: 941000 107.215 110.274 109.814 63.8792 -400.171 -180.713 49.678 -47.3437 -510.552 PRESSAVG: 941000 -5.04009 -52.8865 -59.9719 -52.8865 38.272 4.44296 -59.9719 4.44295 -10.6917 GPRESSAVG: 941000 -4.49953 -53.2388 -58.8493 -56.4961 38.237 3.83575 -59.8565 3.76078 -11.2514 TIMING: 941000 CPU: 3035.79, 0.00314953/step Wall: 3035.79, 0.00314953/step, 3.55109 hours remaining, 233.140625 MB of memory in use. ENERGY: 941000 3992.4682 20582.2192 14459.9460 244.3128 -203022.8162 2178.1278 0.0000 0.0000 52528.0719 -109037.6703 301.8796 -161565.7423 -108681.6080 301.0763 -294.8392 -267.8362 762246.2061 7.5134 7.4954 PRESSURE: 941200 -565.722 108.778 161.809 108.778 -99.788 -101.753 161.81 -101.753 -357.737 GPRESSURE: 941200 -569.163 56.7006 93.8974 72.5235 -34.261 -120.491 120.948 35.0804 -304.945 PRESSAVG: 941200 9.80502 -41.9474 7.16037 -41.9474 4.63004 -39.9555 7.16039 -39.9555 7.50095 GPRESSAVG: 941200 11.4173 -42.7987 7.01368 -39.8422 3.42205 -39.5991 7.51442 -39.0722 7.9805 TIMING: 941200 CPU: 3036.42, 0.00317396/step Wall: 3036.42, 0.00317396/step, 3.57846 hours remaining, 233.210938 MB of memory in use. ENERGY: 941200 4032.9501 20614.1342 14379.4553 261.7713 -202801.5343 2106.2142 0.0000 0.0000 52385.5040 -109021.5052 301.0602 -161407.0092 -108649.4316 300.8341 -341.0824 -302.7898 761707.5370 7.3120 7.6066 PRESSURE: 941400 -97.6761 -59.1594 -133.531 -59.159 -459.326 -22.82 -133.53 -22.8202 -157.573 GPRESSURE: 941400 -109.58 -36.6129 -79.075 -98.493 -322.776 -69.846 -187.373 9.7148 -199.152 PRESSAVG: 941400 -6.1395 -52.3563 -48.0639 -52.3563 -4.31033 -11.525 -48.0638 -11.525 -23.8767 GPRESSAVG: 941400 -7.59946 -51.1899 -48.3481 -54.1177 -3.18708 -11.5304 -49.3981 -12.082 -23.7614 TIMING: 941400 CPU: 3037.06, 0.0031547/step Wall: 3037.06, 0.0031547/step, 3.55658 hours remaining, 233.210938 MB of memory in use. ENERGY: 941400 4069.9311 20394.9243 14507.1583 241.5028 -203023.0530 2475.9365 0.0000 0.0000 52282.3363 -109051.2636 300.4673 -161333.5999 -108684.4848 300.9086 -238.1917 -210.5026 761256.3951 -11.4422 -11.5160 PRESSURE: 941600 -127.273 41.4411 129.669 41.441 -91.3 -28.9089 129.669 -28.9082 -140.009 GPRESSURE: 941600 -86.256 8.59796 131.891 244.007 -52.9859 38.9563 84.169 -15.5344 -137.729 PRESSAVG: 941600 -32.1509 -18.3424 14.3143 -18.3425 19.9055 4.6956 14.3142 4.69551 -15.8568 GPRESSAVG: 941600 -32.008 -18.948 13.9398 -15.6223 21.3241 5.24228 13.9336 2.70722 -16.9702 TIMING: 941600 CPU: 3037.69, 0.00315304/step Wall: 3037.69, 0.00315304/step, 3.55453 hours remaining, 233.210938 MB of memory in use. ENERGY: 941600 3972.9764 20666.6344 14513.8327 253.8755 -202902.1519 2343.0586 0.0000 0.0000 52090.5141 -109061.2601 299.3649 -161151.7742 -108709.3477 300.3241 -119.5271 -92.3236 760532.0098 -9.3674 -9.2180 PRESSURE: 941800 178.193 -121.526 -167.08 -121.526 -38.4635 233.957 -167.08 233.956 301.893 GPRESSURE: 941800 207.357 -154.903 -76.0384 -52.1509 37.3265 302.169 -194.016 79.8021 276.236 PRESSAVG: 941800 15.4982 4.19307 -60.2651 4.19311 -22.5861 -0.632091 -60.2651 -0.632138 -13.7676 GPRESSAVG: 941800 16.9122 5.43447 -60.616 1.82117 -23.4313 -1.30923 -58.5053 0.196847 -14.1111 TIMING: 941800 CPU: 3038.32, 0.0031871/step Wall: 3038.32, 0.0031871/step, 3.59275 hours remaining, 233.210938 MB of memory in use. ENERGY: 941800 4016.8797 20626.3526 14477.1732 256.5625 -203013.4677 2355.7877 0.0000 0.0000 51927.6698 -109353.0422 298.4290 -161280.7120 -108988.2398 299.9753 147.2072 173.6396 758482.0311 -6.9518 -6.8767 PRESSURE: 942000 -84.4669 -42.0281 -140.62 -42.0281 103.73 -140.906 -140.62 -140.907 -83.6399 GPRESSURE: 942000 4.60676 -5.85755 -77.5802 -59.458 159.17 -133.291 -173.431 -101.616 -135.03 PRESSAVG: 942000 -0.69104 -60.4929 -26.5028 -60.4929 15.1765 24.5671 -26.5028 24.567 -9.11761 GPRESSAVG: 942000 -0.626276 -60.2902 -26.1851 -58.9664 13.8097 23.3098 -24.8671 25.0674 -7.71092 TIMING: 942000 CPU: 3038.96, 0.0031842/step Wall: 3038.96, 0.0031842/step, 3.5893 hours remaining, 233.210938 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: 942000 3946.1457 20455.3052 14464.8662 261.2008 -203020.3608 2332.8832 0.0000 0.0000 51979.4230 -109580.5367 298.7265 -161559.9597 -109214.2700 298.9107 -21.4588 9.5824 761391.5245 1.7893 1.8242 PRESSURE: 942200 -109.9 123.458 221.356 123.458 0.44328 -136.709 221.356 -136.71 -50.5393 GPRESSURE: 942200 -36.6862 101.736 195.873 155.377 4.10524 -265.856 149.916 63.1934 -51.9109 PRESSAVG: 942200 -18.5263 -27.9373 -7.8168 -27.9374 13.1571 35.6104 -7.81681 35.6105 1.35927 GPRESSAVG: 942200 -18.5237 -30.2483 -7.59294 -28.2935 14.6241 36.828 -9.97179 35.7422 0.00928396 TIMING: 942200 CPU: 3039.59, 0.00315963/step Wall: 3039.59, 0.00315963/step, 3.56143 hours remaining, 233.210938 MB of memory in use. ENERGY: 942200 3964.7721 20507.5710 14536.8149 261.6064 -203294.1223 2547.8928 0.0000 0.0000 52070.2791 -109405.1859 299.2486 -161475.4651 -109045.9894 299.1268 -53.3321 -28.1639 762075.7017 -1.3366 -1.2968 PRESSURE: 942400 48.3084 -112.483 -252.341 -112.483 471.102 250.175 -252.341 250.174 22.4212 GPRESSURE: 942400 126.58 -85.3872 -259.187 -46.9485 439.837 180.985 -126.756 276.62 40.035 PRESSAVG: 942400 -16.4764 -12.2092 -55.1944 -12.2092 8.23805 -13.1452 -55.1944 -13.1452 -7.54697 GPRESSAVG: 942400 -16.0218 -11.2282 -55.4044 -11.415 6.72283 -13.627 -54.6805 -13.6923 -6.9826 TIMING: 942400 CPU: 3040.22, 0.00315902/step Wall: 3040.22, 0.00315902/step, 3.56056 hours remaining, 233.210938 MB of memory in use. ENERGY: 942400 3986.5616 20521.9315 14541.2535 226.6488 -203049.4659 2412.0592 0.0000 0.0000 52221.7337 -109139.2775 300.1190 -161361.0112 -108771.1960 299.6517 180.6106 202.1508 761847.0887 -5.2618 -5.4272 PRESSURE: 942600 -71.6834 45.6375 122.714 45.6373 -159.066 -53.4088 122.713 -53.4079 -255.878 GPRESSURE: 942600 -109.315 -37.2558 122.761 49.4787 -88.3961 -62.3467 89.3156 22.4684 -208.437 PRESSAVG: 942600 10.9308 -2.33718 -52.3224 -2.33718 18.5606 -41.7098 -52.3224 -41.7099 13.5766 GPRESSAVG: 942600 9.85929 0.729435 -53.1827 -6.46896 20.165 -42.331 -53.0405 -42.8486 12.9742 TIMING: 942600 CPU: 3040.86, 0.00319056/step Wall: 3040.86, 0.00319056/step, 3.59594 hours remaining, 233.210938 MB of memory in use. ENERGY: 942600 3961.6662 20521.0145 14614.1520 242.2504 -203056.0211 2233.1242 0.0000 0.0000 52276.6412 -109207.1725 300.4346 -161483.8137 -108844.5620 299.9009 -162.2091 -135.3827 762691.1149 14.3560 14.3328 PRESSURE: 942800 -265.82 45.9943 111.878 45.9945 -239.285 127.096 111.88 127.096 41.0165 GPRESSURE: 942800 -229.3 100.061 31.1376 85.9963 -133.096 12.7518 51.3808 148.113 -3.39844 PRESSAVG: 942800 13.408 61.9688 -23.0533 61.9688 50.3929 2.03352 -23.0532 2.03351 -12.3558 GPRESSAVG: 942800 13.3727 58.5004 -23.0828 66.2922 50.4384 3.63963 -22.134 4.77429 -12 TIMING: 942800 CPU: 3041.5, 0.00317361/step Wall: 3041.5, 0.00317361/step, 3.57666 hours remaining, 233.210938 MB of memory in use. ENERGY: 942800 3908.7075 20669.9751 14557.7681 249.6231 -202575.8296 2177.2914 0.0000 0.0000 52024.9646 -108987.4999 298.9882 -161012.4645 -108624.5764 300.0338 -154.6963 -121.9313 762271.8161 17.1484 17.2704 PRESSURE: 943000 -182.194 210.03 -361.719 210.03 99.1407 -138.708 -361.72 -138.709 20.6934 GPRESSURE: 943000 -128.254 129.266 -395.633 210.384 95.299 -138.04 -237.869 -199.405 56.3374 PRESSAVG: 943000 -4.983 20.7917 24.9213 20.7917 12.3752 -73.4784 24.9213 -73.4783 -12.1275 GPRESSAVG: 943000 -4.8359 21.8 25.0436 19.6254 11.7688 -73.3945 24.4884 -73.5117 -11.2468 TIMING: 943000 CPU: 3042.13, 0.00316171/step Wall: 3042.13, 0.00316171/step, 3.56308 hours remaining, 233.210938 MB of memory in use. ENERGY: 943000 4038.7880 20478.3588 14503.6722 231.7912 -203391.2685 2798.4100 0.0000 0.0000 52384.7214 -108955.5270 301.0557 -161340.2484 -108593.9799 300.3020 -20.7866 7.7942 761229.6211 -1.5784 -1.4380 PRESSURE: 943200 147.818 -40.6114 -176.87 -40.6111 -272.901 56.2068 -176.87 56.2061 -76.7256 GPRESSURE: 943200 107.146 -9.18196 -87.9976 -47.8596 -161.951 42.309 -129.186 40.9416 -56.6979 PRESSAVG: 943200 13.9458 -36.658 3.32379 -36.6581 -12.3868 -5.37154 3.32381 -5.37152 13.1333 GPRESSAVG: 943200 14.3689 -34.9611 3.43762 -37.1252 -12.1661 -5.32555 2.60026 -7.05866 12.2321 TIMING: 943200 CPU: 3042.76, 0.00317141/step Wall: 3042.76, 0.00317141/step, 3.57383 hours remaining, 233.210938 MB of memory in use. ENERGY: 943200 3969.1934 20579.6897 14435.9228 249.9871 -202812.1471 2270.6987 0.0000 0.0000 52352.1603 -108954.4951 300.8686 -161306.6554 -108587.8311 300.7864 -67.2694 -37.1676 763021.8048 4.8974 4.8117 PRESSURE: 943400 -196.75 -134.145 151.254 -134.146 87.2431 -65.6367 151.253 -65.6378 -23.6179 GPRESSURE: 943400 -139.538 -104.408 128.93 -79.595 138.455 -86.7865 126.694 6.77694 -30.4131 PRESSAVG: 943400 8.02098 -57.9965 18.3483 -57.9966 26.7815 -29.3805 18.3484 -29.3805 -3.94861 GPRESSAVG: 943400 8.40152 -57.4516 18.5837 -57.8211 27.2976 -29.6516 17.5262 -30.3252 -4.54184 TIMING: 943400 CPU: 3043.4, 0.00318307/step Wall: 3043.4, 0.00318307/step, 3.58679 hours remaining, 233.210938 MB of memory in use. ENERGY: 943400 4072.6528 20669.2715 14416.1827 239.1936 -203400.7196 2609.9409 0.0000 0.0000 52207.1524 -109186.3256 300.0352 -161393.4780 -108818.3969 300.2817 -44.3750 -10.4987 762287.6373 10.2846 10.3858 PRESSURE: 943600 192.333 -1.87937 -20.2802 -1.87912 172.4 37.2614 -20.2806 37.2613 236.206 GPRESSURE: 943600 286.628 -63.25 -41.3334 -68.8692 133.682 -14.5258 -5.2995 143.658 250.332 PRESSAVG: 943600 33.7147 -7.73314 26.854 -7.73308 17.6467 -15.871 26.854 -15.871 -13.0829 GPRESSAVG: 943600 32.6364 -8.90599 26.0873 -7.9592 17.7142 -15.5949 27.921 -15.3 -12.5662 TIMING: 943600 CPU: 3044.03, 0.00317392/step Wall: 3044.03, 0.00317392/step, 3.5763 hours remaining, 233.210938 MB of memory in use. ENERGY: 943600 3971.9862 20672.8338 14546.5447 261.2950 -203167.8547 2576.3123 0.0000 0.0000 51990.5337 -109148.3491 298.7903 -161138.8828 -108787.6160 299.5211 200.3129 223.5475 762396.7546 12.7595 12.5948 PRESSURE: 943800 225.212 -119.547 -141.012 -119.547 195.895 -198.939 -141.012 -198.939 456.939 GPRESSURE: 943800 384.38 -148.444 -163.749 -40.4743 106.719 -96.1914 -71.8909 -135.737 470.378 PRESSAVG: 943800 -74.5664 19.2072 13.4814 19.2073 86.9324 -18.4252 13.4814 -18.4252 5.04731 GPRESSAVG: 943800 -72.7175 20.2847 14.9607 18.3469 83.85 -19.613 12.1084 -17.1499 6.26724 TIMING: 943800 CPU: 3044.67, 0.00318579/step Wall: 3044.67, 0.00318579/step, 3.5895 hours remaining, 233.210938 MB of memory in use. ENERGY: 943800 4058.6059 20581.5123 14371.8077 226.5438 -203255.2153 2589.7064 0.0000 0.0000 52297.1987 -109129.8407 300.5527 -161427.0394 -108761.4247 299.5617 292.6819 320.4924 760671.9478 5.8045 5.7999 PRESSURE: 944000 -81.3718 -96.7262 -18.9686 -96.7257 127.778 258.674 -18.9682 258.675 178.342 GPRESSURE: 944000 -73.3963 -79.2245 -51.8192 -30.6791 202.274 238.351 100.251 214.672 182.005 PRESSAVG: 944000 -23.7823 15.4347 -3.1146 15.4347 -26.0107 -16.9637 -3.11459 -16.9637 4.37437 GPRESSAVG: 944000 -26.4084 13.4053 -3.05512 16.025 -22.0347 -15.7612 -3.20804 -15.6218 3.36885 TIMING: 944000 CPU: 3045.31, 0.00317503/step Wall: 3045.31, 0.00317503/step, 3.5772 hours remaining, 233.210938 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: 944000 3891.2945 20645.5327 14487.9255 256.0884 -203127.7689 2559.5371 0.0000 0.0000 52029.0584 -109258.3322 299.0117 -161287.3906 -108897.4621 299.9392 74.9161 103.6275 762769.6745 -15.1396 -15.0247 PRESSURE: 944200 95.2197 29.6694 156.512 29.67 53.5228 -34.1259 156.512 -34.1265 -278.459 GPRESSURE: 944200 83.847 30.3206 149.545 89.0195 85.7504 -62.3516 78.3016 -13.0345 -200.79 PRESSAVG: 944200 -44.5615 2.24124 28.2346 2.2412 56.7047 -15.785 28.2346 -15.785 -32.0257 GPRESSAVG: 944200 -44.6267 3.48188 27.8093 2.80312 55.1307 -16.4786 30.1513 -18.115 -30.4332 TIMING: 944200 CPU: 3045.94, 0.00318556/step Wall: 3045.94, 0.00318555/step, 3.58888 hours remaining, 233.210938 MB of memory in use. ENERGY: 944200 4075.9720 20449.1223 14455.9616 247.7297 -203614.0334 2806.2694 0.0000 0.0000 52268.5821 -109310.3963 300.3883 -161578.9784 -108952.4120 299.7287 -43.2388 -10.3975 761113.6969 -6.6275 -6.6431 LDB: ============= START OF LOAD BALANCING ============== 3058.37 LDB: ============== END OF LOAD BALANCING =============== 3058.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3058.37 LDB: ============= START OF LOAD BALANCING ============== 3058.68 LDB: Largest compute 7075 load 0.038731 is 19.8% of average load 0.195527 LDB: Average compute 0.004393 is 2.2% of average load 0.195527 LDB: TIME 3058.69 LOAD: AVG 0.195527 MAX 0.217909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.711 MB LDB: TIME 3058.69 LOAD: AVG 0.195527 MAX 0.217909 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.711 MB LDB: TIME 3058.69 LOAD: AVG 0.195527 MAX 0.217909 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.711 MB LDB: ============== END OF LOAD BALANCING =============== 3058.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 3058.69 Info: useSync: 0 useProxySync: 0 PRESSURE: 944400 -9.41054 -167.94 99.5455 -167.94 222.33 -166.403 99.5452 -166.403 -50.7786 GPRESSURE: 944400 120.334 -225.068 117.673 -144.447 235.334 -177.071 141.929 -190.599 -85.0253 PRESSAVG: 944400 -34.1493 -1.92137 42.3191 -1.92142 34.0441 -30.7524 42.3191 -30.7525 1.10341 GPRESSAVG: 944400 -32.747 -0.702277 42.1607 -1.84766 33.5302 -31.2671 40.5966 -28.7317 -0.169828 TIMING: 944400 CPU: 3046.59, 0.00322091/step Wall: 3046.59, 0.00322091/step, 3.62853 hours remaining, 231.074219 MB of memory in use. ENERGY: 944400 4053.1780 20698.5390 14464.7609 263.5281 -203359.6078 2764.8109 0.0000 0.0000 52178.9287 -108935.8622 299.8730 -161114.7909 -108565.2645 300.1420 54.0470 90.2142 761105.7021 0.3327 0.2044 PRESSURE: 944600 -341.344 53.3147 -21.544 53.315 -374.982 -30.5022 -21.5438 -30.5016 -172.605 GPRESSURE: 944600 -345.516 41.1753 -68.5649 -32.1859 -233.642 -3.62862 77.5552 26.3237 -215.367 PRESSAVG: 944600 3.94435 -21.2321 6.13494 -21.2322 17.5657 59.8674 6.13492 59.8673 -14.1593 GPRESSAVG: 944600 4.99383 -23.3786 4.769 -21.6028 16.417 59.3838 5.28156 57.8741 -14.3126 TIMING: 944600 CPU: 3047.22, 0.00316023/step Wall: 3047.22, 0.00316023/step, 3.56 hours remaining, 231.074219 MB of memory in use. ENERGY: 944600 3991.5775 20583.6358 14499.9203 241.4594 -202751.1778 2262.4768 0.0000 0.0000 52138.1186 -109033.9893 299.6385 -161172.1079 -108666.8577 300.6406 -296.3104 -264.8413 762304.4314 2.4502 2.3661 PRESSURE: 944800 215.318 -124.469 -96.713 -124.47 -198.295 75.609 -96.7126 75.6074 -65.4899 GPRESSURE: 944800 196.861 -21.2926 -125.46 9.08633 -119.049 115.211 -18.0124 142.995 -34.6436 PRESSAVG: 944800 45.9343 32.7522 33.2151 32.7522 -4.43725 76.3523 33.2151 76.3523 -3.19493 GPRESSAVG: 944800 44.3467 34.8437 34.5476 33.3178 -2.8664 77.0642 36.4945 74.778 -2.74442 TIMING: 944800 CPU: 3047.86, 0.00317678/step Wall: 3047.86, 0.00317678/step, 3.57846 hours remaining, 231.074219 MB of memory in use. ENERGY: 944800 3996.3303 20667.3043 14517.6615 245.8054 -203148.7435 2251.2195 0.0000 0.0000 52341.4906 -109128.9319 300.8073 -161470.4225 -108762.3871 299.9846 -16.1555 14.3894 759774.1314 12.7674 12.9120 PRESSURE: 945000 -290.74 -46.9319 -221.298 -46.9324 -295.864 62.5704 -221.298 62.5699 7.41573 GPRESSURE: 945000 -204.848 -29.8312 -272.612 -85.0805 -317.794 -1.3196 -144.562 136.134 29.8064 PRESSAVG: 945000 -12.178 7.74358 -54.8624 7.74355 -65.7356 30.4299 -54.8623 30.4299 -1.34965 GPRESSAVG: 945000 -11.9269 6.55322 -54.5895 6.66869 -66.7719 28.9827 -55.7427 34.2958 -0.837391 TIMING: 945000 CPU: 3048.49, 0.00318336/step Wall: 3048.49, 0.00318336/step, 3.5857 hours remaining, 231.074219 MB of memory in use. ENERGY: 945000 3954.8169 20737.5236 14561.0771 270.8501 -203179.5065 2565.1803 0.0000 0.0000 52143.1169 -108946.9416 299.6672 -161090.0585 -108572.0843 300.7350 -193.0626 -164.2787 760398.1956 -26.4211 -26.5121 PRESSURE: 945200 -491.618 -91.195 107.486 -91.1946 -255.011 -87.7082 107.485 -87.7081 -176.553 GPRESSURE: 945200 -399.667 -94.6562 175.345 -110.966 -289.316 -105.925 -44.6434 -90.3461 -140.681 PRESSAVG: 945200 16.8414 -31.9496 37.6491 -31.9496 -28.9897 15.2812 37.6491 15.2811 7.43889 GPRESSAVG: 945200 16.4624 -32.9071 36.2625 -31.7146 -27.9455 15.2127 36.7061 14.9105 6.89278 TIMING: 945200 CPU: 3049.13, 0.00316924/step Wall: 3049.13, 0.00316924/step, 3.56962 hours remaining, 231.074219 MB of memory in use. ENERGY: 945200 4027.9836 20508.5046 14480.5519 254.3032 -202785.2278 2010.6814 0.0000 0.0000 52421.2403 -109081.9628 301.2656 -161503.2031 -108712.8622 300.9248 -307.7272 -276.5546 760787.8981 -1.5698 -1.5301 PRESSURE: 945400 234.703 -178.411 -40.6306 -178.411 111.126 -35.4852 -40.631 -35.4866 240.594 GPRESSURE: 945400 231.344 -130.423 -94.6233 -229.017 147.486 -2.31072 -91.304 3.53495 279.425 PRESSAVG: 945400 12.4027 -57.7657 43.7853 -57.7658 4.28662 21.0859 43.7853 21.0859 4.26543 GPRESSAVG: 945400 13.0683 -57.5763 44.2097 -56.3074 2.83773 23.0777 43.6993 19.8673 4.60932 TIMING: 945400 CPU: 3049.76, 0.00316079/step Wall: 3049.76, 0.00316079/step, 3.55993 hours remaining, 231.074219 MB of memory in use. ENERGY: 945400 3961.7637 20644.1085 14407.2137 260.7995 -203889.3781 2877.7838 0.0000 0.0000 52480.3199 -109257.3890 301.6051 -161737.7089 -108883.0961 300.3909 195.4746 219.4183 759738.1630 6.9849 6.8384 PRESSURE: 945600 -142.155 6.61555 343.921 6.61587 1.27647 237.043 343.922 237.042 52.4719 GPRESSURE: 945600 -160.227 -133.833 278.512 -16.8248 64.2163 259.335 247.156 117.554 87.8836 PRESSAVG: 945600 1.11253 -11.9045 -11.8797 -11.9045 42.8156 54.0356 -11.8796 54.0356 0.290298 GPRESSAVG: 945600 0.246865 -12.0879 -12.6569 -12.9631 43.1715 54.5215 -12.0179 52.9611 0.625148 TIMING: 945600 CPU: 3050.39, 0.00317689/step Wall: 3050.39, 0.00317689/step, 3.57788 hours remaining, 231.074219 MB of memory in use. ENERGY: 945600 4025.1534 20791.5497 14537.3789 229.6058 -203354.8372 2528.5931 0.0000 0.0000 51928.0174 -109314.5389 298.4310 -161242.5563 -108962.7393 300.0433 -29.4687 -2.7089 758915.1361 14.7395 14.6812 PRESSURE: 945800 -438.943 -272.863 -311.659 -272.863 86.2496 -23.1073 -311.659 -23.1063 -148.583 GPRESSURE: 945800 -407.312 -178.163 -323.983 -279.858 103.067 -33.8558 -285.87 -55.9296 -95.2779 PRESSAVG: 945800 8.07128 -22.2763 -11.8396 -22.2763 27.9377 51.9304 -11.8396 51.9304 5.07393 GPRESSAVG: 945800 9.23311 -21.5709 -11.0932 -23.1177 28.0909 51.3477 -12.4532 50.2572 3.71868 TIMING: 945800 CPU: 3051.03, 0.00318918/step Wall: 3051.03, 0.00318918/step, 3.59155 hours remaining, 231.074219 MB of memory in use. ENERGY: 945800 3936.4182 20635.8425 14488.3788 245.1801 -203333.7531 2548.0288 0.0000 0.0000 52188.6579 -109291.2468 299.9289 -161479.9047 -108921.2286 300.0099 -167.0919 -133.1743 761003.0277 13.6943 13.6809 PRESSURE: 946000 51.2436 75.4512 227.997 75.4528 20.1024 60.3075 227.997 60.308 -103.333 GPRESSURE: 946000 64.6184 100.748 158.208 59.9178 70.8309 87.4653 162.459 65.4998 -63.0902 PRESSAVG: 946000 -24.2254 -72.0126 -6.44334 -72.0126 21.2259 4.99918 -6.44332 4.99927 -4.1775 GPRESSAVG: 946000 -25.4907 -72.1972 -6.6269 -71.997 21.8623 4.51375 -7.40591 7.43089 -3.17158 TIMING: 946000 CPU: 3051.67, 0.0031902/step Wall: 3051.67, 0.0031902/step, 3.59252 hours remaining, 231.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 946000 3940.5469 20731.3334 14453.8452 234.8546 -203252.6945 2314.7967 0.0000 0.0000 52379.5027 -109197.8150 301.0257 -161577.3177 -108834.2103 300.3967 -10.6624 24.1197 758989.2493 -2.3923 -2.2667 PRESSURE: 946200 334.167 -50.5061 -149.401 -50.5063 -346.571 377.552 -149.401 377.552 -293.389 GPRESSURE: 946200 300.887 -41.5977 -90.9011 -203.453 -189.716 377.057 -141.054 297.49 -320.209 PRESSAVG: 946200 -49.4158 -16.7082 -36.8902 -16.7082 76.6914 17.602 -36.8902 17.6018 20.8266 GPRESSAVG: 946200 -49.2495 -16.4495 -36.5799 -15.5843 75.6307 17.7371 -34.5166 19.3306 21.4808 TIMING: 946200 CPU: 3052.31, 0.00319434/step Wall: 3052.31, 0.00319434/step, 3.597 hours remaining, 231.074219 MB of memory in use. ENERGY: 946200 3898.3177 20685.7550 14476.1227 257.0356 -203182.6981 2534.9829 0.0000 0.0000 52120.5927 -109209.8915 299.5378 -161330.4842 -108845.1901 300.2130 -101.9313 -69.6792 759921.1378 16.0341 15.9540 PRESSURE: 946400 -149.353 -6.74076 -166.027 -6.7408 -213.301 66.0879 -166.027 66.0876 -110.735 GPRESSURE: 946400 -120.343 -53.8634 -227.232 2.01347 -172.844 65.7199 -246.83 166.467 -85.8726 PRESSAVG: 946400 -18.4919 -2.61223 11.7312 -2.61222 -2.00528 -30.5065 11.7313 -30.5065 -10.5546 GPRESSAVG: 946400 -18.7917 -5.99965 10.602 -2.37073 -1.91931 -31.5562 12.8838 -31.7328 -10.8817 TIMING: 946400 CPU: 3052.95, 0.00319278/step Wall: 3052.95, 0.00319278/step, 3.59507 hours remaining, 231.074219 MB of memory in use. ENERGY: 946400 3960.7013 20581.2721 14474.4752 239.9912 -203145.9406 2333.4977 0.0000 0.0000 52431.1565 -109124.8467 301.3226 -161556.0032 -108766.7180 300.6339 -157.7961 -126.3530 760116.0119 -10.3506 -10.5309 PRESSURE: 946600 -55.5816 9.16324 -180.003 9.1637 349.772 -121.864 -180.004 -121.864 107.345 GPRESSURE: 946600 93.9863 -91.809 -232.97 21.57 285.065 -99.9851 -136.737 -87.5786 121.767 PRESSAVG: 946600 1.79221 -49.3716 -14.3524 -49.3716 -3.45378 4.43437 -14.3524 4.43449 -17.0125 GPRESSAVG: 946600 1.9449 -46.9994 -13.6533 -51.1976 -4.14753 5.07856 -15.8842 4.61243 -16.7506 TIMING: 946600 CPU: 3053.58, 0.00317431/step Wall: 3053.58, 0.00317431/step, 3.5741 hours remaining, 231.074219 MB of memory in use. ENERGY: 946600 3964.7894 20717.0123 14444.6638 237.1112 -203035.3476 2319.3732 0.0000 0.0000 52238.0669 -109114.3308 300.2129 -161352.3977 -108746.8063 300.0824 133.8451 166.9395 759702.0189 -6.2247 -6.3177 PRESSURE: 946800 70.4004 28.3868 -319.944 28.3868 10.3577 -148.512 -319.944 -148.511 349.431 GPRESSURE: 946800 137.43 6.27414 -231.211 -9.81805 7.59132 -191.776 -223.289 -145.557 365.75 PRESSAVG: 946800 12.7916 -49.922 -40.8786 -49.922 -1.42881 -8.6344 -40.8786 -8.63443 20.2746 GPRESSAVG: 946800 12.398 -49.4097 -40.0311 -48.3671 -1.76268 -7.79992 -40.4549 -9.88931 20.538 TIMING: 946800 CPU: 3054.21, 0.00315046/step Wall: 3054.21, 0.00315046/step, 3.54707 hours remaining, 231.074219 MB of memory in use. ENERGY: 946800 3991.0577 20613.3282 14533.3675 265.5440 -203208.2541 2288.0948 0.0000 0.0000 52147.3649 -109369.4971 299.6916 -161516.8619 -109003.5273 300.2192 143.3963 170.2572 757952.3390 10.5458 10.3911 PRESSURE: 947000 199.777 3.92293 -15.8627 3.92279 238.472 -69.8995 -15.8634 -69.8996 -73.5892 GPRESSURE: 947000 134.271 118.015 28.3477 -39.3281 268.666 -38.2648 37.664 -204.018 56.8148 PRESSAVG: 947000 -20.3273 -14.1654 4.19025 -14.1654 3.73582 -30.3453 4.19027 -30.3452 -7.5194 GPRESSAVG: 947000 -19.1855 -15.0812 3.99485 -14.5782 3.5288 -29.5396 4.88989 -30.0468 -7.90175 TIMING: 947000 CPU: 3054.85, 0.00316532/step Wall: 3054.85, 0.00316532/step, 3.56362 hours remaining, 231.074219 MB of memory in use. ENERGY: 947000 3986.2752 20709.0497 14416.8796 255.4193 -203126.5636 2324.8439 0.0000 0.0000 52315.6864 -109118.4094 300.6590 -161434.0958 -108752.8957 300.1522 121.5533 153.2506 758891.6376 -8.0370 -7.8528 PRESSURE: 947200 249.441 -63.4005 -15.6175 -63.4011 88.7942 148.156 -15.6181 148.157 648.647 GPRESSURE: 947200 302.288 -34.6527 -3.29212 -147.485 155.065 141.277 93.5404 134.473 639.673 PRESSAVG: 947200 -50.4272 -35.453 11.7258 -35.453 14.5859 20.2831 11.7258 20.2831 21.6425 GPRESSAVG: 947200 -52.0344 -34.6659 11.4031 -35.6255 16.5476 19.4354 11.5108 20.9777 20.7187 TIMING: 947200 CPU: 3055.48, 0.00316147/step Wall: 3055.48, 0.00316147/step, 3.55911 hours remaining, 231.074219 MB of memory in use. ENERGY: 947200 3985.8016 20648.9341 14433.2472 231.3846 -203404.0252 2626.9696 0.0000 0.0000 52240.4113 -109237.2769 300.2264 -161477.6882 -108880.1375 300.2982 328.9608 365.6754 759987.0520 -4.7329 -4.9227 PRESSURE: 947400 -226.416 -35.8031 226.367 -35.8035 62.8094 -56.9172 226.367 -56.9166 60.7126 GPRESSURE: 947400 -323.865 11.8287 125.914 5.19612 265.069 -14.2232 174.164 36.2225 44.2755 PRESSAVG: 947400 -15.744 -55.5063 47.9873 -55.5064 -2.49873 -5.47952 47.9873 -5.47947 31.2309 GPRESSAVG: 947400 -14.2459 -57.4519 47.5493 -54.9349 -3.07627 -5.16476 45.3468 -5.31903 30.8983 TIMING: 947400 CPU: 3056.11, 0.00315661/step Wall: 3056.11, 0.00315661/step, 3.55346 hours remaining, 231.074219 MB of memory in use. ENERGY: 947400 3998.4873 20673.2425 14517.2589 233.3806 -203245.5123 2363.1710 0.0000 0.0000 52026.4157 -109433.5563 298.9965 -161459.9720 -109071.9456 300.2918 -34.2979 -4.8403 760756.7120 4.3294 4.5254 PRESSURE: 947600 104.75 -136.482 -283.805 -136.483 70.6149 -170.446 -283.804 -170.445 108.727 GPRESSURE: 947600 138.069 -44.063 -209.64 -20.226 143.623 -137.443 -182.604 -93.2651 105.304 PRESSAVG: 947600 -17.7902 -25.5648 49.2357 -25.5647 8.98284 16.8009 49.2357 16.8009 6.32501 GPRESSAVG: 947600 -20.0892 -23.1552 48.429 -27.351 10.417 16.7837 52.9319 15.7305 6.94691 TIMING: 947600 CPU: 3056.74, 0.00316271/step Wall: 3056.74, 0.00316271/step, 3.56015 hours remaining, 231.074219 MB of memory in use. ENERGY: 947600 4023.2579 20448.6701 14429.3626 246.1821 -203225.5189 2545.8124 0.0000 0.0000 52004.5250 -109527.7089 298.8707 -161532.2339 -109163.4384 299.6067 94.6975 128.9989 760719.4508 -0.8274 -0.9084 PRESSURE: 947800 -73.1107 -96.5203 -75.1835 -96.5217 25.2841 -68.6726 -75.1839 -68.6716 -21.6391 GPRESSURE: 947800 19.706 -79.0997 25.9302 -198.394 50.4707 -49.4047 -40.6579 -59.1696 -40.9336 PRESSAVG: 947800 -41.9461 -84.0944 40.2575 -84.0944 38.0329 -76.2845 40.2574 -76.2845 -4.31804 GPRESSAVG: 947800 -39.5247 -83.8286 41.5388 -82.6486 36.0838 -75.0392 38.9707 -75.9666 -4.77497 TIMING: 947800 CPU: 3057.37, 0.00314894/step Wall: 3057.37, 0.00314894/step, 3.54448 hours remaining, 231.074219 MB of memory in use. ENERGY: 947800 4121.2481 20380.4088 14420.0034 248.4798 -203474.0312 2582.4359 0.0000 0.0000 51941.1286 -109780.3266 298.5064 -161721.4553 -109426.4870 299.0928 -23.1552 9.7477 759180.6752 -2.7437 -2.7386 PRESSURE: 948000 42.6968 152.462 -18.9417 152.462 71.2806 136.512 -18.9426 136.512 182.114 GPRESSURE: 948000 114.284 127.662 8.21831 100.363 28.7367 93.4456 48.4432 -8.56565 241.337 PRESSAVG: 948000 -4.67707 -41.3924 52.7451 -41.3924 2.01587 10.9603 52.7451 10.9603 11.5734 GPRESSAVG: 948000 -4.64334 -41.5021 50.7232 -42.9167 1.54086 11.4553 54.017 11.9467 12.4067 TIMING: 948000 CPU: 3058, 0.00314258/step Wall: 3058, 0.00314258/step, 3.53714 hours remaining, 231.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 948000 3930.6811 20579.8359 14454.4363 232.1202 -203219.7513 2423.2197 0.0000 0.0000 51944.1050 -109655.3532 298.5235 -161599.4582 -109294.5291 298.3690 98.6971 128.1190 760540.1765 2.9707 3.1014 PRESSURE: 948200 210.329 -136.943 -70.5474 -136.942 -41.4338 -102.278 -70.5472 -102.278 196.502 GPRESSURE: 948200 157.911 -176.72 -76.6531 -118.563 92.0506 -97.9914 -79.0417 -93.9974 196.507 PRESSAVG: 948200 42.6852 -39.152 19.3415 -39.1521 -40.0279 9.58331 19.3415 9.58322 9.80449 GPRESSAVG: 948200 42.5003 -38.098 20.9468 -39.3831 -38.898 7.99942 19.7805 7.52959 8.86865 TIMING: 948200 CPU: 3058.64, 0.00317954/step Wall: 3058.64, 0.00317954/step, 3.57857 hours remaining, 231.074219 MB of memory in use. ENERGY: 948200 4013.2804 20452.4836 14458.6910 247.2270 -203570.4391 2654.4672 0.0000 0.0000 51929.4730 -109814.8168 298.4394 -161744.2899 -109452.2806 298.6912 121.7991 148.8229 761055.2472 4.1539 4.1570 LDB: ============= START OF LOAD BALANCING ============== 3071.06 LDB: ============== END OF LOAD BALANCING =============== 3071.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3071.06 LDB: ============= START OF LOAD BALANCING ============== 3071.38 LDB: Largest compute 7075 load 0.038066 is 19.5% of average load 0.195439 LDB: Average compute 0.004414 is 2.3% of average load 0.195439 LDB: TIME 3071.38 LOAD: AVG 0.195439 MAX 0.214474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.613 MB LDB: TIME 3071.38 LOAD: AVG 0.195439 MAX 0.214474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: TIME 3071.38 LOAD: AVG 0.195439 MAX 0.214474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.613 MB LDB: ============== END OF LOAD BALANCING =============== 3071.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3071.39 PRESSURE: 948400 214.453 -78.4833 16.2242 -78.4839 198.233 -6.1079 16.224 -6.1087 105.381 GPRESSURE: 948400 217.896 -120.664 5.11301 -93.5307 267.186 29.8473 18.7859 -124.354 120.118 PRESSAVG: 948400 -36.4302 -68.8497 51.9499 -68.8497 37.3325 32.3828 51.9498 32.3828 10.6417 GPRESSAVG: 948400 -36.9082 -70.5208 52.6951 -68.1964 36.4033 30.8106 50.8557 33.0497 11.7984 TIMING: 948400 CPU: 3059.28, 0.00324528/step Wall: 3059.28, 0.00324528/step, 3.65239 hours remaining, 234.136719 MB of memory in use. ENERGY: 948400 4046.6470 20473.9308 14445.1470 240.9468 -203902.9412 3016.8313 0.0000 0.0000 51820.0153 -109859.4230 297.8103 -161679.4384 -109497.9741 298.9816 172.6889 201.7333 761247.4053 3.8480 3.7645 PRESSURE: 948600 -92.9688 132.162 -33.9284 132.162 195.217 -236.291 -33.9274 -236.29 331.035 GPRESSURE: 948600 -42.1491 105.291 -22.2668 62.1929 201.539 -259.703 -123.388 -220.142 354.808 PRESSAVG: 948600 35.1379 -84.111 -17.458 -84.1109 -14.6362 26.1475 -17.458 26.1476 14.3133 GPRESSAVG: 948600 34.7867 -83.4393 -18.6814 -82.8804 -14.3848 26.4653 -18.9101 27.7202 14.555 TIMING: 948600 CPU: 3059.92, 0.00316558/step Wall: 3059.92, 0.00316558/step, 3.56251 hours remaining, 234.464844 MB of memory in use. ENERGY: 948600 3945.7544 20423.3461 14456.2932 249.4884 -203336.5989 2619.3417 0.0000 0.0000 51730.4751 -109911.8999 297.2958 -161642.3750 -109544.2712 298.7337 144.4278 171.3994 762198.4441 11.6050 11.6523 PRESSURE: 948800 -164.037 81.8238 -98.9826 81.8229 103.657 80.5131 -98.9828 80.5132 -205.299 GPRESSURE: 948800 -157.621 49.5669 -107.322 81.6722 145.456 51.0256 53.8704 -103.401 -138.363 PRESSAVG: 948800 27.1464 -9.9009 -10.1255 -9.90094 -15.6302 -17.5127 -10.1255 -17.5127 24.7075 GPRESSAVG: 948800 27.4979 -11.1059 -10.5294 -12.6742 -15.9462 -16.5705 -6.48227 -18.9111 24.918 TIMING: 948800 CPU: 3060.55, 0.00316299/step Wall: 3060.55, 0.00316299/step, 3.55942 hours remaining, 234.464844 MB of memory in use. ENERGY: 948800 3988.0220 20488.1040 14439.5204 249.6790 -203346.5865 2759.8080 0.0000 0.0000 51811.6965 -109609.7567 297.7625 -161421.4531 -109249.8330 298.8641 -88.5594 -50.1760 762004.7567 12.0746 12.1565 PRESSURE: 949000 -519.089 62.6461 -132.133 62.6464 59.3625 -42.6171 -132.133 -42.6164 -123.098 GPRESSURE: 949000 -430.491 107.307 -172.167 11.5405 52.0719 23.8801 -229.883 -0.0976499 -124.666 PRESSAVG: 949000 -21.4386 -30.4098 -18.5842 -30.4099 62.0155 18.3562 -18.5843 18.3563 -1.11778 GPRESSAVG: 949000 -21.3757 -29.281 -18.2268 -29.2011 63.4233 19.2294 -20.3756 19.0993 -2.91573 TIMING: 949000 CPU: 3061.18, 0.00314897/step Wall: 3061.18, 0.00314897/step, 3.54347 hours remaining, 234.464844 MB of memory in use. ENERGY: 949000 4086.6572 20518.8769 14380.9269 265.6080 -203054.6149 2330.3396 0.0000 0.0000 51803.6045 -109668.6019 297.7160 -161472.2064 -109314.8391 298.8191 -194.2749 -167.6949 761235.7102 13.1531 13.0439 PRESSURE: 949200 172.378 116.816 -76.1553 116.815 254.398 133.638 -76.1553 133.639 -3.66772 GPRESSURE: 949200 171.06 90.8539 -125.31 71.4447 314.238 75.352 14.5081 34.6563 13.9368 PRESSAVG: 949200 -54.3585 11.4286 10.4429 11.4287 12.5238 71.2664 10.4428 71.2665 5.8694 GPRESSAVG: 949200 -53.9524 11.1625 10.37 11.6349 11.3472 69.8942 8.76269 69.0446 6.8605 TIMING: 949200 CPU: 3061.81, 0.00316002/step Wall: 3061.81, 0.00316002/step, 3.55572 hours remaining, 234.464844 MB of memory in use. ENERGY: 949200 3938.3023 20605.9963 14386.0115 242.4441 -203499.4142 2607.8939 0.0000 0.0000 52061.7753 -109656.9908 299.1997 -161718.7661 -109299.3320 298.8167 141.0361 166.4113 762115.0505 -11.9884 -11.9149 PRESSURE: 949400 330.443 -14.9762 102.643 -14.9765 295.313 173.873 102.643 173.873 477.287 GPRESSURE: 949400 254.331 -2.72928 177.105 -70.101 360.457 154.876 108.513 231.844 564.628 PRESSAVG: 949400 -30.509 -11.9481 -43.367 -11.9481 20.1227 54.365 -43.367 54.365 2.23941 GPRESSAVG: 949400 -30.9065 -12.8355 -43.0169 -11.3203 20.4168 55.5827 -40.6674 55.2771 2.44771 TIMING: 949400 CPU: 3062.45, 0.0031662/step Wall: 3062.45, 0.0031662/step, 3.5625 hours remaining, 234.464844 MB of memory in use. ENERGY: 949400 3928.3193 20393.6840 14520.6739 261.7017 -203617.3267 2781.1343 0.0000 0.0000 52054.5639 -109677.2497 299.1583 -161731.8135 -109317.8461 299.2255 367.6810 393.1389 761929.8278 -2.7156 -2.6807 PRESSURE: 949600 271.171 -136.302 -37.902 -136.302 170.479 -112.006 -37.9018 -112.006 47.4374 GPRESSURE: 949600 354.006 -177.971 -86.4766 -107.032 135.004 -52.1676 -71.3305 -38.0518 74.4082 PRESSAVG: 949600 -45.9227 -50.6089 17.3702 -50.6089 54.1052 -16.3023 17.3702 -16.3024 16.9627 GPRESSAVG: 949600 -46.9368 -51.6449 19.4901 -51.4874 54.6282 -17.0197 16.1345 -15.292 16.6871 TIMING: 949600 CPU: 3063.08, 0.00316806/step Wall: 3063.08, 0.00316806/step, 3.56442 hours remaining, 234.464844 MB of memory in use. ENERGY: 949600 3967.9244 20416.7071 14561.2927 278.9432 -203098.6360 2426.9791 0.0000 0.0000 51850.5251 -109596.2645 297.9857 -161446.7896 -109239.2900 299.1957 163.0289 187.8061 759754.0169 8.3818 8.1262 PRESSURE: 949800 220.347 -48.5547 85.74 -48.5555 209.877 -109.293 85.7401 -109.293 -219.588 GPRESSURE: 949800 270.641 -119.331 58.4448 -65.3524 170.102 -78.3404 21.5214 -100.368 -145.373 PRESSAVG: 949800 -59.8657 -44.1766 -33.0953 -44.1766 97.7761 -2.79825 -33.0954 -2.7982 16.8785 GPRESSAVG: 949800 -59.3724 -44.612 -34.7472 -43.9395 97.1153 -2.70725 -34.3645 -3.66468 16.8351 TIMING: 949800 CPU: 3063.72, 0.00318764/step Wall: 3063.72, 0.00318764/step, 3.58627 hours remaining, 234.464844 MB of memory in use. ENERGY: 949800 3941.1179 20482.2449 14460.4839 258.3360 -203468.9981 2368.2723 0.0000 0.0000 52169.0717 -109789.4714 299.8164 -161958.5431 -109420.2004 298.8456 70.2122 98.4565 760953.1385 18.2630 18.1927 PRESSURE: 950000 -237.812 -178.453 -186.075 -178.453 101.518 125.269 -186.075 125.269 161.299 GPRESSURE: 950000 -137.65 -191.535 -171.093 -63.7307 124.421 113.174 -58.8571 114.188 128.646 PRESSAVG: 950000 -26.0372 -109.655 -22.8976 -109.655 37.2733 -43.4181 -22.8976 -43.4181 -1.63612 GPRESSAVG: 950000 -24.8965 -108.471 -22.7803 -107.632 36.8629 -43.2497 -21.0476 -42.6413 -2.55249 TIMING: 950000 CPU: 3064.35, 0.00317442/step Wall: 3064.35, 0.00317442/step, 3.57122 hours remaining, 234.464844 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: 950000 4032.2711 20338.5900 14444.9806 244.6059 -203263.0077 2528.4562 0.0000 0.0000 51823.4565 -109850.6475 297.8301 -161674.1040 -109487.6577 299.1304 8.3350 38.4724 761524.7673 3.2000 3.1380 PRESSURE: 950200 -24.76 60.2459 141.272 60.2453 -233.88 -187.824 141.271 -187.824 -75.4598 GPRESSURE: 950200 34.1011 185.724 180.717 -19.5872 -166.864 -143.85 34.8747 -106.254 -90.9744 PRESSAVG: 950200 -40.8995 -54.6265 -56.7212 -54.6265 2.45567 -59.0793 -56.7212 -59.0793 -6.16979 GPRESSAVG: 950200 -41.748 -53.7245 -56.2575 -56.9899 3.79121 -58.4172 -57.6742 -59.8548 -6.82813 TIMING: 950200 CPU: 3064.98, 0.00314446/step Wall: 3064.98, 0.00314446/step, 3.53735 hours remaining, 234.464844 MB of memory in use. ENERGY: 950200 4017.1308 20468.4645 14483.3935 244.4029 -203217.7965 2310.3077 0.0000 0.0000 51856.0100 -109838.0871 298.0172 -161694.0971 -109488.0271 298.5813 -111.3667 -74.5791 760101.6243 -14.8712 -14.9283 PRESSURE: 950400 218.014 -126.355 -177.308 -126.355 -47.6544 -113.296 -177.308 -113.298 394.054 GPRESSURE: 950400 222.554 -115.411 -171.45 -86.0154 -61.5068 -145.375 -199.682 -98.2484 481.812 PRESSAVG: 950400 26.743 -39.698 -33.5271 -39.698 -52.1237 -68.7906 -33.5271 -68.7906 -7.63317 GPRESSAVG: 950400 27.6209 -41.8568 -31.7319 -37.077 -54.4551 -68.6819 -36.3951 -69.1338 -6.56697 TIMING: 950400 CPU: 3065.61, 0.00315324/step Wall: 3065.61, 0.00315324/step, 3.54704 hours remaining, 234.464844 MB of memory in use. ENERGY: 950400 3915.4534 20449.2343 14523.2993 244.4341 -203694.2523 2692.3894 0.0000 0.0000 52123.0505 -109746.3914 299.5519 -161869.4419 -109387.3781 298.5625 188.1378 214.2865 759866.3898 -11.0046 -11.1337 PRESSURE: 950600 -350.608 -199.275 -17.1919 -199.276 -33.3092 -281.063 -17.1919 -281.063 -184.571 GPRESSURE: 950600 -329.215 -220.647 26.1349 -77.9918 17.3101 -147.469 -70.585 -306.602 -164.429 PRESSAVG: 950600 -56.3992 -67.8874 -43.0417 -67.8874 27.6199 -26.2806 -43.0417 -26.2806 -4.39501 GPRESSAVG: 950600 -56.9116 -66.0336 -46.3104 -70.2103 28.6739 -28.6206 -40.2576 -25.3499 -4.60997 TIMING: 950600 CPU: 3066.24, 0.00315428/step Wall: 3066.24, 0.00315428/step, 3.54804 hours remaining, 234.464844 MB of memory in use. ENERGY: 950600 3955.1315 20555.2462 14393.4882 245.5762 -203471.2453 2356.3716 0.0000 0.0000 52306.5099 -109658.9217 300.6062 -161965.4316 -109296.9517 298.8458 -189.4959 -158.7778 759766.3833 -11.0581 -10.9492 PRESSURE: 950800 128.32 -132.106 198.781 -132.106 450.091 -114.876 198.781 -114.876 189.85 GPRESSURE: 950800 139.232 -203.138 90.7964 -160.311 499.815 -107.597 239.192 -138.427 218.067 PRESSAVG: 950800 -36.2514 -37.0949 17.9598 -37.0949 78.2456 1.25406 17.9597 1.25406 19.0251 GPRESSAVG: 950800 -36.0335 -37.8873 18.5354 -37.4224 78.2092 2.84693 17.8458 0.993331 19.2471 TIMING: 950800 CPU: 3066.87, 0.00314463/step Wall: 3066.87, 0.00314463/step, 3.53701 hours remaining, 234.464844 MB of memory in use. ENERGY: 950800 3907.0339 20612.8364 14513.9502 245.4134 -203651.7183 2709.0300 0.0000 0.0000 52021.8405 -109641.6139 298.9702 -161663.4544 -109278.2699 298.9740 256.0869 285.7045 760041.3067 20.3397 20.4743 PRESSURE: 951000 -125.755 -329.333 -225.293 -329.332 -1.27227 355.828 -225.294 355.828 290.599 GPRESSURE: 951000 -107.244 -300.354 -195.134 -278.234 -4.45747 263.833 -140.242 319.777 348.354 PRESSAVG: 951000 -29.1796 -86.5354 -20.0084 -86.5355 3.51774 -34.7086 -20.0084 -34.7086 7.7655 GPRESSAVG: 951000 -31.217 -85.6483 -21.9231 -85.6939 3.78692 -34.11 -19.3274 -34.8475 8.77655 TIMING: 951000 CPU: 3067.5, 0.0031588/step Wall: 3067.5, 0.0031588/step, 3.55277 hours remaining, 234.464844 MB of memory in use. ENERGY: 951000 3948.7138 20453.4400 14404.5881 252.1404 -203595.8857 2713.7020 0.0000 0.0000 52295.5371 -109527.7643 300.5432 -161823.3014 -109155.2138 299.0585 54.5239 78.8841 760877.5827 -5.9655 -6.2178 PRESSURE: 951200 -193.57 -86.3993 -212.252 -86.3992 78.2901 -131.714 -212.252 -131.714 -128.709 GPRESSURE: 951200 -137.519 -80.2654 -298.244 -172.246 79.1874 -105.834 -281.147 -126.198 -108.647 PRESSAVG: 951200 -56.1591 -49.9478 -9.41659 -49.9478 53.8891 18.7263 -9.41654 18.7263 18.9654 GPRESSAVG: 951200 -54.6055 -50.5195 -8.17084 -50.4109 54.3917 17.9365 -9.67009 15.8976 16.7761 TIMING: 951200 CPU: 3068.14, 0.00318834/step Wall: 3068.14, 0.00318834/step, 3.58582 hours remaining, 234.464844 MB of memory in use. ENERGY: 951200 3978.1669 20321.0816 14410.8812 232.8353 -203129.3846 2178.3720 0.0000 0.0000 52452.6330 -109555.4145 301.4460 -162008.0476 -109192.7099 299.5077 -81.3296 -55.6596 762209.1552 5.5651 5.5208 PRESSURE: 951400 7.90345 -88.9303 -37.5829 -88.9298 160.287 121.591 -37.5831 121.59 -164.866 GPRESSURE: 951400 -30.1046 -56.3762 -68.2439 -85.7426 113.228 126.923 -22.3354 108.498 -3.76751 PRESSAVG: 951400 -38.1898 -30.5374 -22.0413 -30.5375 70.4497 -21.9686 -22.0413 -21.9685 4.59234 GPRESSAVG: 951400 -39.3355 -30.1229 -23.3063 -29.4545 70.072 -21.801 -19.6222 -18.9021 5.43923 TIMING: 951400 CPU: 3068.78, 0.00319272/step Wall: 3068.78, 0.00319272/step, 3.59057 hours remaining, 234.464844 MB of memory in use. ENERGY: 951400 3996.1399 20328.6693 14384.3697 263.1029 -203208.7207 2479.8872 0.0000 0.0000 52143.6035 -109612.9481 299.6700 -161756.5516 -109246.5456 299.2064 1.1082 26.4518 761142.5406 12.2841 12.0586 PRESSURE: 951600 247.197 -63.935 -175.213 -63.9349 316.328 -165.202 -175.212 -165.201 362.567 GPRESSURE: 951600 254.905 -12.3004 -58.0479 -88.8686 355.49 -93.1257 -125.798 -185.492 409.557 PRESSAVG: 951600 -9.88713 -30.7458 14.0262 -30.7457 27.7439 18.6682 14.0262 18.6682 9.74223 GPRESSAVG: 951600 -9.25357 -31.4985 16.0309 -31.5537 26.2197 19.3396 11.9267 19.3315 10.2309 TIMING: 951600 CPU: 3069.41, 0.00317008/step Wall: 3069.41, 0.00317009/step, 3.56494 hours remaining, 234.605469 MB of memory in use. ENERGY: 951600 3855.3399 20351.8928 14436.8991 254.4603 -202863.3699 2321.3158 0.0000 0.0000 52162.8101 -109480.6520 299.7804 -161643.4620 -109112.3805 299.1075 308.6973 339.9840 760509.9057 9.1997 9.0657 PRESSURE: 951800 381.404 -116.264 127.753 -116.264 116.126 179.02 127.753 179.019 271.772 GPRESSURE: 951800 413.919 -96.4872 72.2558 -139.816 117.036 170.338 144.977 156.915 319.62 PRESSAVG: 951800 51.8482 -9.10587 7.80906 -9.10588 -38.5384 -13.8642 7.80913 -13.8642 7.43506 GPRESSAVG: 951800 51.072 -9.3673 6.57143 -10.0143 -37.9794 -12.4804 8.28303 -16.7433 7.81474 TIMING: 951800 CPU: 3070.05, 0.00318619/step Wall: 3070.05, 0.00318619/step, 3.58287 hours remaining, 234.605469 MB of memory in use. ENERGY: 951800 4021.1884 20424.7225 14432.2628 250.6584 -202999.2138 2334.2055 0.0000 0.0000 52167.8973 -109368.2788 299.8096 -161536.1762 -109009.0532 299.1926 256.4338 283.5249 759117.6943 6.9150 6.9691 PRESSURE: 952000 -257.245 52.2322 78.8242 52.233 -304.292 -66.2731 78.8244 -66.2736 -160.688 GPRESSURE: 952000 -250.241 59.6331 27.4491 -88.5342 -244.308 -104.357 89.447 -102.357 -173.97 PRESSAVG: 952000 -11.1752 -29.924 -4.36169 -29.924 43.8676 4.2256 -4.36168 4.22557 12.1754 GPRESSAVG: 952000 -11.0824 -30.2252 -3.93243 -26.9538 44.6594 2.99176 -6.50699 4.77155 11.1992 TIMING: 952000 CPU: 3070.68, 0.00317429/step Wall: 3070.68, 0.00317429/step, 3.56931 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 3988.0101 20519.7621 14372.0304 247.0456 -203083.8928 2303.1238 0.0000 0.0000 52049.7612 -109604.1596 299.1307 -161653.9209 -109233.1351 299.6195 -240.7414 -222.8398 761100.0108 14.9559 14.9254 PRESSURE: 952200 371.594 -79.4146 -97.7127 -79.4138 -20.9587 54.1445 -97.7123 54.1438 379.177 GPRESSURE: 952200 312.292 -108.455 -76.3792 -151.004 130.645 35.4599 -61.9138 -74.2326 396.668 PRESSAVG: 952200 2.74892 12.415 -22.938 12.415 -1.00387 -32.6188 -22.9381 -32.6188 -14.1673 GPRESSAVG: 952200 3.44626 12.5153 -23.1341 11.9218 -1.28465 -33.6358 -20.8487 -30.6892 -14.1841 TIMING: 952200 CPU: 3071.32, 0.00315859/step Wall: 3071.32, 0.00315859/step, 3.55149 hours remaining, 234.605469 MB of memory in use. ENERGY: 952200 3948.9308 20466.8581 14453.5776 246.3674 -203359.7579 2667.2705 0.0000 0.0000 51862.0656 -109714.6879 298.0520 -161576.7535 -109354.9406 298.5752 243.2708 279.8683 758959.5803 -4.1408 -4.0075 LDB: ============= START OF LOAD BALANCING ============== 3083.74 LDB: ============== END OF LOAD BALANCING =============== 3083.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3083.74 LDB: ============= START OF LOAD BALANCING ============== 3084.06 LDB: Largest compute 7075 load 0.037979 is 19.4% of average load 0.195411 LDB: Average compute 0.004410 is 2.3% of average load 0.195411 LDB: TIME 3084.06 LOAD: AVG 0.195411 MAX 0.218223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.734 MB LDB: TIME 3084.06 LOAD: AVG 0.195411 MAX 0.218223 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: TIME 3084.06 LOAD: AVG 0.195411 MAX 0.213085 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.941 MB LDB: ============== END OF LOAD BALANCING =============== 3084.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3084.07 PRESSURE: 952400 190.051 59.5098 -84.7744 59.51 -4.04456 -75.72 -84.7746 -75.72 -99.8405 GPRESSURE: 952400 231.012 -65.7745 -95.6931 236.205 -33.9923 -49.0656 -105.384 30.3097 -18.0682 PRESSAVG: 952400 -49.4113 -4.12704 -51.124 -4.12713 15.2809 47.1184 -51.124 47.1184 -10.8858 GPRESSAVG: 952400 -48.155 -2.66068 -51.2774 -3.76075 13.497 46.0842 -51.809 45.7246 -10.54 TIMING: 952400 CPU: 3071.96, 0.00322385/step Wall: 3071.96, 0.00322385/step, 3.62468 hours remaining, 229.796875 MB of memory in use. ENERGY: 952400 4040.7298 20571.1148 14348.4750 237.4381 -202722.7185 1964.2575 0.0000 0.0000 51923.0573 -109637.6459 298.4025 -161560.7032 -109291.6577 298.9394 28.7221 59.6505 759064.5871 -15.0054 -15.0660 PRESSURE: 952600 -111.177 -154.068 76.1618 -154.069 156.845 193.98 76.1619 193.98 -24.399 GPRESSURE: 952600 14.8977 -192.926 57.2802 -183.38 217.671 130.753 23.3889 173.87 -148.208 PRESSAVG: 952600 -11.8286 -20.2232 -53.7093 -20.2232 -16.5718 24.2134 -53.7092 24.2135 12.1301 GPRESSAVG: 952600 -13.4361 -21.4531 -53.5616 -19.228 -16.2818 25.9203 -54.4355 24.8235 12.7603 TIMING: 952600 CPU: 3072.59, 0.00315743/step Wall: 3072.59, 0.00315743/step, 3.54983 hours remaining, 229.796875 MB of memory in use. ENERGY: 952600 3971.3199 20434.1752 14477.0726 245.6611 -203136.1072 2455.5789 0.0000 0.0000 52029.8369 -109522.4626 299.0162 -161552.2996 -109169.4893 298.7571 7.0899 28.1201 759517.6160 -5.4234 -5.6525 PRESSURE: 952800 -263.99 81.0827 16.492 81.0818 -341.613 191.444 16.4913 191.444 205.945 GPRESSURE: 952800 -300.712 -5.38001 56.7101 81.242 -282.591 109.717 112.586 175.158 288.777 PRESSAVG: 952800 -16.5713 -63.2163 44.3531 -63.2163 2.51195 -37.8195 44.3531 -37.8194 3.74812 GPRESSAVG: 952800 -16.0501 -65.6026 43.9988 -65.1523 2.90389 -38.7942 44.4888 -38.4793 3.07701 TIMING: 952800 CPU: 3073.22, 0.00315081/step Wall: 3073.22, 0.00315081/step, 3.54221 hours remaining, 229.796875 MB of memory in use. ENERGY: 952800 3983.4266 20607.5437 14429.0117 272.6926 -203042.6775 2178.3072 0.0000 0.0000 52333.5397 -109238.1560 300.7616 -161571.6957 -108875.3915 299.2889 -133.2191 -98.1754 758754.6306 -3.4371 -3.3564 PRESSURE: 953000 77.9453 -215.528 -85.2137 -215.528 -71.3073 -85.9789 -85.2135 -85.9803 371.882 GPRESSURE: 953000 128.99 -138.1 -182.332 -157.847 -41.4186 -60.8584 -1.90614 -1.74943 377.39 PRESSAVG: 953000 4.96522 -24.1088 -2.64653 -24.1088 0.567419 29.7828 -2.64655 29.7828 4.31405 GPRESSAVG: 953000 4.6729 -20.6173 -2.77348 -25.6071 0.53716 30.1897 -3.27706 31.5012 4.62478 TIMING: 953000 CPU: 3073.86, 0.00317618/step Wall: 3073.86, 0.00317618/step, 3.57055 hours remaining, 229.796875 MB of memory in use. ENERGY: 953000 4031.4901 20461.9560 14430.8169 269.8078 -202955.9500 2268.0101 0.0000 0.0000 52080.0077 -109413.8614 299.3045 -161493.8691 -109053.6092 300.1714 126.1734 154.9872 760267.9984 3.2822 3.2783 PRESSURE: 953200 -38.3134 186.545 46.3044 186.545 52.6814 -58.7578 46.3044 -58.7583 -137.867 GPRESSURE: 953200 67.4652 300.361 56.6174 173.665 61.5146 -68.9068 81.5138 -8.37764 -169.567 PRESSAVG: 953200 57.016 -30.2111 -22.294 -30.2111 -50.6007 12.5883 -22.294 12.5883 -3.23782 GPRESSAVG: 953200 56.4792 -29.7903 -21.4617 -28.8045 -49.8844 11.0558 -20.8445 13.6737 -3.44605 TIMING: 953200 CPU: 3074.49, 0.00318126/step Wall: 3074.49, 0.00318126/step, 3.57609 hours remaining, 229.796875 MB of memory in use. ENERGY: 953200 3923.6261 20503.3934 14518.0034 246.1355 -202937.8542 2524.7768 0.0000 0.0000 52197.4673 -109024.4517 299.9796 -161221.9190 -108659.8001 299.8283 -41.1662 -13.5291 761709.8317 1.0592 1.0496 PRESSURE: 953400 145.659 -126.229 -192.982 -126.229 -178.199 41.1963 -192.982 41.1957 172.369 GPRESSURE: 953400 121.899 -134.004 -190.032 -244.742 -20.8443 -28.0227 -212.487 172.775 123.036 PRESSAVG: 953400 -15.3545 -28.0721 -29.9684 -28.0721 52.0287 48.3085 -29.9684 48.3086 2.59722 GPRESSAVG: 953400 -15.5743 -28.7966 -30.4915 -28.2542 52.1907 51.1499 -30.4835 45.5798 2.97993 TIMING: 953400 CPU: 3075.13, 0.00315841/step Wall: 3075.13, 0.00315841/step, 3.55023 hours remaining, 229.796875 MB of memory in use. ENERGY: 953400 3983.1884 20480.6351 14494.3138 257.3001 -202991.8837 2497.2008 0.0000 0.0000 52135.0064 -109144.2391 299.6206 -161279.2455 -108773.0840 299.6207 46.6096 74.6967 760698.3370 13.0905 13.1988 PRESSURE: 953600 -90.3947 257.17 177.441 257.17 49.6841 -16.2561 177.442 -16.2551 -243.645 GPRESSURE: 953600 -1.66586 190.823 78.6135 176.629 -27.4935 -34.5042 335.564 -107.331 -181.214 PRESSAVG: 953600 -11.9416 -39.2431 24.0755 -39.2432 -9.40252 -39.0312 24.0755 -39.0312 9.06722 GPRESSAVG: 953600 -10.1936 -38.0828 24.3931 -39.3565 -11.6043 -38.9157 24.2225 -37.893 9.39783 TIMING: 953600 CPU: 3075.76, 0.00316553/step Wall: 3075.76, 0.00316553/step, 3.55806 hours remaining, 229.796875 MB of memory in use. ENERGY: 953600 3990.5372 20508.6226 14445.3016 254.9357 -202766.8940 2314.3510 0.0000 0.0000 51983.1580 -109269.9880 298.7479 -161253.1460 -108909.9572 299.6929 -94.7851 -70.1244 760023.3186 -4.0923 -4.1334 PRESSURE: 953800 -60.378 -18.3865 278.303 -18.387 153.355 -136.113 278.302 -136.112 -6.65309 GPRESSURE: 953800 -38.682 -104.036 315.524 -19.0263 167.208 -204.58 249.259 -47.4857 50.7022 PRESSAVG: 953800 -34.2315 -7.10967 69.5766 -7.1097 29.2569 15.5858 69.5767 15.5858 -11.9594 GPRESSAVG: 953800 -33.5946 -8.05862 71.6332 -8.98947 29.3314 14.8923 68.9275 14.4847 -12.3161 TIMING: 953800 CPU: 3076.4, 0.00318264/step Wall: 3076.4, 0.00318264/step, 3.57712 hours remaining, 229.796875 MB of memory in use. ENERGY: 953800 3962.1903 20524.6431 14431.4889 254.8934 -203130.9355 2479.0459 0.0000 0.0000 52161.7455 -109316.9285 299.7743 -161478.6739 -108951.7739 299.4781 28.7746 59.7429 760940.2459 -5.6447 -5.5264 PRESSURE: 954000 166.286 -9.23262 143.037 -9.2325 -366.406 -47.0202 143.037 -47.0201 -563.86 GPRESSURE: 954000 153.804 -9.53378 53.984 63.7722 -269.955 -10.0321 31.0894 -123.402 -545.489 PRESSAVG: 954000 33.8505 -82.1989 -17.5636 -82.1989 2.80685 -14.9518 -17.5636 -14.9518 7.10967 GPRESSAVG: 954000 32.3104 -83.1229 -18.7182 -78.8796 5.17131 -16.6995 -18.1645 -13.8105 6.41645 TIMING: 954000 CPU: 3077.03, 0.00318078/step Wall: 3077.03, 0.00318078/step, 3.57485 hours remaining, 229.796875 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: 954000 3993.3581 20468.4214 14455.8831 244.4473 -203039.9576 2369.9488 0.0000 0.0000 52092.8765 -109415.0223 299.3785 -161507.8988 -109050.0775 299.3999 -254.6599 -220.5464 760026.9579 14.5890 14.6327 PRESSURE: 954200 -440.252 53.659 -280.637 53.6582 -546.371 -198.987 -280.636 -198.988 -491.765 GPRESSURE: 954200 -385.138 2.47311 -276.726 67.2994 -492.438 -125.221 -318.053 -124.169 -514.223 PRESSAVG: 954200 0.572146 -40.942 9.86194 -40.942 -15.939 23.8668 9.862 23.8668 0.985324 GPRESSAVG: 954200 2.16233 -41.2208 7.93869 -42.9634 -17.023 27.43 10.0454 20.994 0.547961 TIMING: 954200 CPU: 3077.66, 0.00315562/step Wall: 3077.66, 0.00315563/step, 3.5464 hours remaining, 229.796875 MB of memory in use. ENERGY: 954200 4006.7265 20513.8270 14544.2155 258.4527 -202614.7169 1907.5592 0.0000 0.0000 52022.0614 -109361.8747 298.9715 -161383.9361 -108991.1910 299.1758 -492.7962 -463.9333 761010.9189 -4.7939 -4.7709 PRESSURE: 954400 -274.1 -96.1833 87.4702 -96.1827 -92.432 -75.471 87.4703 -75.4715 -155.365 GPRESSURE: 954400 -218.716 -56.8416 85.5678 -63.3585 -98.6766 -205.429 172.297 -62.6157 -123.4 PRESSAVG: 954400 17.7563 -18.9036 -29.2233 -18.9036 -33.2904 -10.3086 -29.2233 -10.3086 -0.542202 GPRESSAVG: 954400 16.2185 -19.2783 -27.1994 -17.3668 -32.462 -12.375 -28.695 -6.54829 0.0864562 TIMING: 954400 CPU: 3078.3, 0.00318497/step Wall: 3078.3, 0.00318497/step, 3.5792 hours remaining, 229.796875 MB of memory in use. ENERGY: 954400 3985.0651 20505.8802 14438.2084 269.9339 -202798.0441 2150.1886 0.0000 0.0000 51938.4044 -109510.3637 298.4907 -161448.7681 -109154.1142 299.0274 -173.9658 -146.9308 760548.8648 -5.3588 -5.3857 PRESSURE: 954600 208.333 9.4097 10.212 9.40991 -58.303 -129.47 10.2114 -129.47 -83.0033 GPRESSURE: 954600 200.247 -73.801 76.0298 77.3266 -32.1812 -144.896 -23.0236 -95.5534 -13.7305 PRESSAVG: 954600 -12.7861 -27.8078 -21.125 -27.8079 4.79889 -27.3406 -21.1251 -27.3406 15.8014 GPRESSAVG: 954600 -11.2674 -24.1936 -22.1725 -30.1785 3.77213 -28.3009 -22.1422 -27.9592 15.7961 TIMING: 954600 CPU: 3078.94, 0.00318557/step Wall: 3078.94, 0.00318558/step, 3.5797 hours remaining, 229.796875 MB of memory in use. ENERGY: 954600 4007.5968 20473.0928 14463.1220 233.6227 -203484.7349 2673.2886 0.0000 0.0000 51965.0093 -109669.0027 298.6436 -161634.0120 -109317.5432 298.7485 22.3421 51.4452 760714.4386 2.6047 2.7669 PRESSURE: 954800 -179.506 -162.581 -86.7528 -162.58 189.578 323.058 -86.7536 323.058 -165.321 GPRESSURE: 954800 -128.862 -170.764 -120.98 -281.595 231.413 364.753 -11.4851 220.717 -154.019 PRESSAVG: 954800 -52.6655 4.05484 -51.7731 4.05481 44.3353 2.90019 -51.7731 2.90029 8.07741 GPRESSAVG: 954800 -54.0531 0.505024 -52.3463 7.05371 45.3886 3.90592 -52.3613 -0.378686 8.02697 TIMING: 954800 CPU: 3079.58, 0.00320293/step Wall: 3079.58, 0.00320293/step, 3.59903 hours remaining, 229.796875 MB of memory in use. ENERGY: 954800 3923.1376 20314.6167 14507.7315 249.3357 -203507.9054 2535.8872 0.0000 0.0000 52243.5343 -109733.6625 300.2443 -161977.1968 -109362.5710 298.8465 -51.7497 -17.1561 760429.6395 -0.0843 -0.2125 PRESSURE: 955000 -5.06002 -144.071 58.3013 -144.07 48.8255 -38.6907 58.302 -38.6905 -25.0551 GPRESSURE: 955000 163.543 -81.9358 27.5315 -158.588 -30.2831 -33.8324 183.302 -127.982 -28.4803 PRESSAVG: 955000 -4.21116 -90.9104 -29.0542 -90.9104 -41.6676 -20.6549 -29.0542 -20.6548 8.73732 GPRESSAVG: 955000 -3.1134 -90.9448 -26.9559 -93.7976 -40.5873 -21.0897 -28.4177 -19.8232 7.38278 TIMING: 955000 CPU: 3080.22, 0.00320533/step Wall: 3080.22, 0.00320533/step, 3.60154 hours remaining, 229.796875 MB of memory in use. ENERGY: 955000 3894.1046 20486.0086 14480.4722 230.8698 -203705.9717 2853.4848 0.0000 0.0000 52007.5279 -109753.5038 298.8880 -161761.0317 -109398.9608 299.1963 6.2368 34.9265 761192.9659 -12.3805 -12.1060 PRESSURE: 955200 39.7636 22.3005 134.474 22.3016 -98.8735 -400.484 134.475 -400.484 145.865 GPRESSURE: 955200 135.491 144.389 1.94736 50.6407 -72.5841 -301.259 132.348 -305.634 91.9926 PRESSAVG: 955200 56.1177 -40.6484 -43.4124 -40.6484 -60.4268 4.66544 -43.4124 4.66548 -16.9089 GPRESSAVG: 955200 54.601 -40.1036 -45.1406 -39.7083 -61.2673 4.8963 -40.9777 6.04949 -14.7016 TIMING: 955200 CPU: 3080.85, 0.00317796/step Wall: 3080.85, 0.00317796/step, 3.57061 hours remaining, 229.796875 MB of memory in use. ENERGY: 955200 3913.6830 20463.8747 14482.1623 253.7809 -203101.4277 2285.8131 0.0000 0.0000 51806.3027 -109895.8109 297.7315 -161702.1136 -109534.5527 298.1974 28.9185 51.6332 760614.1683 -7.0727 -7.1227 PRESSURE: 955400 -79.1716 -100.026 -197.994 -100.025 375.861 35.0801 -197.994 35.0805 255.728 GPRESSURE: 955400 -65.8 -76.2971 -138.778 41.2925 481.307 114.281 11.9916 175.086 232.725 PRESSAVG: 955400 -31.103 -47.255 -31.8034 -47.255 6.81362 2.94733 -31.8034 2.94736 -10.6688 GPRESSAVG: 955400 -30.45 -46.9557 -30.4939 -46.6694 6.99139 2.83252 -34.0375 2.4209 -11.7349 TIMING: 955400 CPU: 3081.5, 0.00320668/step Wall: 3081.5, 0.00320668/step, 3.60271 hours remaining, 229.796875 MB of memory in use. ENERGY: 955400 3941.6713 20488.9903 14511.5883 254.8568 -203215.4724 2416.8032 0.0000 0.0000 52099.6309 -109501.9315 299.4173 -161601.5624 -109136.1419 298.6950 184.1391 216.0772 760951.1736 -11.6527 -11.7312 PRESSURE: 955600 309.883 -109.795 -23.8911 -109.794 -301.596 9.21968 -23.8915 9.22004 -180.735 GPRESSURE: 955600 303.711 -103.24 -55.6585 -111.456 -222.324 -17.6694 100.317 96.6583 -158.173 PRESSAVG: 955600 6.20058 -99.2192 -20.6269 -99.2192 -0.269871 -37.2223 -20.6269 -37.2224 -17.6004 GPRESSAVG: 955600 6.97285 -99.9067 -22.4287 -98.6419 -1.15653 -39.2209 -20.1572 -36.4446 -17.3841 TIMING: 955600 CPU: 3082.13, 0.00318044/step Wall: 3082.13, 0.00318044/step, 3.57305 hours remaining, 229.796875 MB of memory in use. ENERGY: 955600 4011.6024 20708.2920 14458.1166 242.2071 -203424.3341 2457.0876 0.0000 0.0000 52079.0651 -109467.9633 299.2991 -161547.0284 -109116.6113 299.0386 -57.4829 -25.5952 760664.6884 -3.8899 -3.8559 PRESSURE: 955800 16.9502 -87.6798 -78.3862 -87.6804 126.859 1.11733 -78.3858 1.11719 111.542 GPRESSURE: 955800 78.7967 -139.454 8.66146 -131.234 140.562 -38.1358 -78.8277 -98.3063 112.663 PRESSAVG: 955800 19.8626 -54.0726 -46.6574 -54.0726 -49.9892 5.1762 -46.6575 5.17617 -0.929794 GPRESSAVG: 955800 20.4088 -52.5186 -46.2524 -55.9828 -49.8835 8.28834 -47.6586 2.97809 -1.68132 TIMING: 955800 CPU: 3082.77, 0.0032081/step Wall: 3082.77, 0.0032081/step, 3.60395 hours remaining, 229.796875 MB of memory in use. ENERGY: 955800 3999.2495 20614.8159 14492.2566 255.3892 -203092.2671 2351.9398 0.0000 0.0000 52029.2000 -109349.4161 299.0125 -161378.6161 -108994.7580 299.3718 85.1171 110.6740 759832.1417 -10.3521 -10.3853 PRESSURE: 956000 36.9304 32.3805 -146.859 32.3811 -99.9051 230.296 -146.86 230.295 -152.132 GPRESSURE: 956000 -26.9894 87.9102 -247.013 -1.01885 -12.3398 172.964 -78.6524 307.468 -80.6564 PRESSAVG: 956000 23.5014 -48.9077 17.8473 -48.9076 -16.9273 58.886 17.8473 58.8861 -9.75467 GPRESSAVG: 956000 23.3354 -48.953 17.667 -49.0861 -16.6229 56.5317 20.1927 60.591 -9.16717 TIMING: 956000 CPU: 3083.41, 0.0031956/step Wall: 3083.41, 0.0031956/step, 3.58972 hours remaining, 229.796875 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: 956000 4043.5340 20603.2452 14405.5199 246.9450 -203438.4050 2646.4949 0.0000 0.0000 52193.4939 -109299.1720 299.9567 -161492.6659 -108931.3067 299.6353 -71.7023 -39.9952 761101.2809 -1.0602 -0.8182 PRESSURE: 956200 -188.577 -72.6645 -143.46 -72.6645 -27.0276 107.33 -143.46 107.329 342.838 GPRESSURE: 956200 -139.481 3.51347 -188.791 -36.9986 1.12649 199.336 -165.523 -46.3768 353.278 PRESSAVG: 956200 47.0048 -97.9333 2.95956 -97.9334 -25.6833 44.9521 2.95959 44.9522 -1.11216 GPRESSAVG: 956200 48.0584 -100.47 3.43574 -96.4931 -26.0547 46.083 2.66736 43.8576 -1.82201 TIMING: 956200 CPU: 3084.05, 0.00317433/step Wall: 3084.05, 0.00317433/step, 3.56566 hours remaining, 229.796875 MB of memory in use. ENERGY: 956200 3910.8050 20655.5358 14500.1493 243.7737 -203133.9424 2496.3331 0.0000 0.0000 51883.1213 -109444.2241 298.1730 -161327.3454 -109085.1416 299.3662 42.4111 71.6411 761515.0479 6.7364 6.7272 LDB: ============= START OF LOAD BALANCING ============== 3096.47 LDB: ============== END OF LOAD BALANCING =============== 3096.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3096.47 LDB: ============= START OF LOAD BALANCING ============== 3096.8 LDB: Largest compute 7075 load 0.037570 is 19.2% of average load 0.195421 LDB: Average compute 0.004409 is 2.3% of average load 0.195421 LDB: TIME 3096.8 LOAD: AVG 0.195421 MAX 0.214928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.613 MB LDB: TIME 3096.8 LOAD: AVG 0.195421 MAX 0.214928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.812 MB LDB: TIME 3096.8 LOAD: AVG 0.195421 MAX 0.214928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.812 MB LDB: ============== END OF LOAD BALANCING =============== 3096.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3096.81 PRESSURE: 956400 407.228 -49.5575 -166.362 -49.5585 273.975 22.024 -166.363 22.0253 -19.7979 GPRESSURE: 956400 401.253 -13.9481 -194.842 -63.0892 306.875 21.3692 -119.999 7.9551 41.931 PRESSAVG: 956400 -50.2031 -60.8284 -16.605 -60.8284 -21.7501 28.1033 -16.605 28.1034 7.65385 GPRESSAVG: 956400 -49.5901 -58.1559 -16.7965 -62.6504 -22.205 28.347 -18.8055 26.301 7.17091 TIMING: 956400 CPU: 3084.7, 0.00326546/step Wall: 3084.7, 0.00326546/step, 3.66783 hours remaining, 231.457031 MB of memory in use. ENERGY: 956400 3901.1852 20679.3480 14457.3459 256.0412 -203421.9144 2612.6133 0.0000 0.0000 51939.1803 -109576.2005 298.4952 -161515.3808 -109208.5209 299.0264 220.4685 250.0194 761819.7285 -21.4331 -21.5414 PRESSURE: 956600 -192.01 -48.1933 289.687 -48.1932 -225.041 164.47 289.687 164.469 20.0889 GPRESSURE: 956600 -167.312 -3.70599 274.918 -114.176 -87.7663 169.675 198.173 152.646 -59.8163 PRESSAVG: 956600 35.3898 -22.8223 -4.19764 -22.8223 -24.7138 5.54048 -4.19765 5.54041 5.48667 GPRESSAVG: 956600 34.4342 -23.797 -2.72229 -21.4033 -23.9056 3.75464 -2.70202 9.09867 6.00054 TIMING: 956600 CPU: 3085.34, 0.00319146/step Wall: 3085.34, 0.00319146/step, 3.58455 hours remaining, 232.136719 MB of memory in use. ENERGY: 956600 4027.1050 20447.9624 14486.0992 244.3706 -202866.7670 2141.9074 0.0000 0.0000 52001.4968 -109517.8255 298.8533 -161519.3223 -109144.7867 298.6664 -132.3207 -104.9649 761748.7999 5.3876 5.5097 PRESSURE: 956800 177.08 64.1868 -22.3616 64.1859 107.785 -49.158 -22.3617 -49.1577 129.327 GPRESSURE: 956800 252.699 -70.4375 -45.2496 13.6155 86.6433 -67.6724 -54.0014 -209.793 159.755 PRESSAVG: 956800 -27.4785 -96.3729 7.83584 -96.3728 20.6764 13.2603 7.83586 13.2603 -21.282 GPRESSAVG: 956800 -27.44 -96.646 5.88854 -99.235 20.4324 12.578 7.71544 11.4609 -20.9479 TIMING: 956800 CPU: 3085.97, 0.00316798/step Wall: 3085.97, 0.00316798/step, 3.558 hours remaining, 232.136719 MB of memory in use. ENERGY: 956800 3993.2334 20585.8505 14483.4350 274.5280 -203333.1483 2478.9677 0.0000 0.0000 51947.0053 -109570.1285 298.5402 -161517.1337 -109206.2705 299.1215 138.0639 166.3658 760428.3685 -9.3613 -9.3185 PRESSURE: 957000 -335.842 -336.301 -201.486 -336.301 -530.556 182.438 -201.487 182.438 -35.2165 GPRESSURE: 957000 -361.873 -237.396 -189.102 -231.532 -419.111 109.665 -230.991 237.357 -37.912 PRESSAVG: 957000 55.9487 -15.0639 1.98782 -15.0639 -80.1462 -3.00878 1.98781 -3.00873 -8.66578 GPRESSAVG: 957000 53.9814 -15.1498 2.51115 -12.4331 -79.2844 -2.14195 1.51787 -3.18764 -7.71438 TIMING: 957000 CPU: 3086.6, 0.00316372/step Wall: 3086.6, 0.00316372/step, 3.55303 hours remaining, 232.136719 MB of memory in use. ENERGY: 957000 4049.2438 20678.6140 14409.8422 250.7890 -202756.7109 1961.8773 0.0000 0.0000 51811.8713 -109594.4733 297.7635 -161406.3446 -109238.4152 298.9722 -300.5380 -272.9654 763615.9038 -10.9544 -11.0058 PRESSURE: 957200 21.3813 152.272 151.437 152.273 -79.5332 -81.6687 151.436 -81.6687 -185.905 GPRESSURE: 957200 52.8465 156.086 106.666 123.963 -44.14 -132.852 140.092 -55.5404 -179.834 PRESSAVG: 957200 34.4212 -75.4539 -4.72676 -75.4538 -46.8516 -12.23 -4.72676 -12.23 -0.395696 GPRESSAVG: 957200 35.1322 -73.7728 -4.44368 -75.6032 -47.1714 -12.0865 -6.13376 -11.0071 -1.46179 TIMING: 957200 CPU: 3087.24, 0.00315203/step Wall: 3087.24, 0.00315203/step, 3.53973 hours remaining, 232.136719 MB of memory in use. ENERGY: 957200 4020.6152 20505.9035 14495.6430 269.1178 -203529.0691 2584.1173 0.0000 0.0000 52238.7975 -109414.8749 300.2171 -161653.6723 -109062.4128 299.2029 -81.3523 -57.0425 759459.4885 -4.2754 -4.5003 PRESSURE: 957400 -379.191 66.3087 -97.174 66.3091 2.56033 -86.7493 -97.175 -86.7501 -345.352 GPRESSURE: 957400 -237.303 92.4107 -81.7101 -52.5789 -63.1151 -1.90492 -33.6404 -49.8575 -334.132 PRESSAVG: 957400 -59.5272 -49.26 -6.66459 -49.2601 46.4151 -35.0047 -6.66463 -35.0048 2.20318 GPRESSAVG: 957400 -58.578 -49.2517 -7.01443 -48.004 45.4298 -34.713 -4.4308 -34.3013 2.1651 TIMING: 957400 CPU: 3087.87, 0.00316836/step Wall: 3087.87, 0.00316837/step, 3.5579 hours remaining, 232.136719 MB of memory in use. ENERGY: 957400 4071.2812 20775.1607 14404.4211 242.5105 -203350.0929 2249.1908 0.0000 0.0000 52137.4501 -109470.0786 299.6346 -161607.5287 -109104.3219 299.5156 -240.6611 -211.5166 760899.0065 -3.6363 -3.6610 PRESSURE: 957600 -222.587 -32.0929 47.2525 -32.0921 -52.9875 -192.753 47.2523 -192.752 265.247 GPRESSURE: 957600 -176.814 69.7187 20.6853 -80.0749 23.1752 -230.236 27.6752 -90.5366 220.942 PRESSAVG: 957600 48.073 -3.67592 7.32742 -3.67585 -9.06463 43.5906 7.32732 43.5906 12.5005 GPRESSAVG: 957600 47.9872 -6.89752 7.30179 -3.14678 -7.53593 43.716 6.54645 42.1104 11.7031 TIMING: 957600 CPU: 3088.51, 0.00318562/step Wall: 3088.51, 0.00318562/step, 3.57709 hours remaining, 232.136719 MB of memory in use. ENERGY: 957600 4063.3011 20788.8294 14484.6749 246.7247 -203564.5588 2514.1831 0.0000 0.0000 52138.0262 -109328.8195 299.6380 -161466.8457 -108965.7802 300.0099 -3.4425 22.4343 760853.1484 17.1696 17.3848 PRESSURE: 957800 -71.1596 -180.133 -213.309 -180.135 32.3554 117.703 -213.308 117.704 142.365 GPRESSURE: 957800 -38.8618 -152.102 -173.879 -193.758 65.7206 102.008 -214.032 124.52 151.619 PRESSAVG: 957800 -3.00873 -19.5279 -34.098 -19.528 -37.8657 -21.8007 -34.0981 -21.8007 5.07372 GPRESSAVG: 957800 -2.62845 -17.9951 -31.9697 -22.5388 -39.4744 -22.9205 -34.3057 -22.5948 6.22616 TIMING: 957800 CPU: 3089.15, 0.0032127/step Wall: 3089.15, 0.00321269/step, 3.60732 hours remaining, 232.136719 MB of memory in use. ENERGY: 957800 3980.0005 20630.1570 14457.6991 252.5515 -203354.6469 2340.0761 0.0000 0.0000 52244.6505 -109449.5123 300.2507 -161694.1628 -109080.7183 299.8717 34.5203 59.4928 760575.8408 -11.9336 -11.9589 PRESSURE: 958000 -199.497 -195.713 21.9873 -195.714 208.41 -232.958 21.988 -232.958 59.0903 GPRESSURE: 958000 -158.968 -229.91 38.078 -179.429 228.8 -282.774 -32.3118 -151.924 87.8014 PRESSAVG: 958000 15.857 -64.1922 -30.0579 -64.1923 -30.3406 -37.1675 -30.0579 -37.1675 2.4033 GPRESSAVG: 958000 14.5113 -64.4573 -31.5024 -61.5259 -28.6806 -36.9675 -31.1816 -36.0357 1.45932 TIMING: 958000 CPU: 3089.78, 0.00317695/step Wall: 3089.78, 0.00317695/step, 3.567 hours remaining, 232.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 958000 3936.7855 20578.7259 14478.7540 227.7119 -203391.5361 2661.6180 0.0000 0.0000 51953.0361 -109554.9048 298.5748 -161507.9409 -109196.2371 299.4702 22.6678 52.5442 760370.2132 -4.0268 -4.2367 PRESSURE: 958200 -224.188 -25.2693 -14.9763 -25.2693 -172.879 -36.0658 -14.9762 -36.0653 161.424 GPRESSURE: 958200 -152.83 22.666 103.148 -64.4311 -148.671 14.4443 -85.3301 -98.9929 144.505 PRESSAVG: 958200 -29.3492 -62.21 -33.8286 -62.21 15.792 5.55701 -33.8287 5.55704 17.7457 GPRESSAVG: 958200 -27.9965 -61.5587 -32.5055 -63.2257 14.1284 4.98199 -31.8258 6.82118 17.5979 TIMING: 958200 CPU: 3090.42, 0.00318028/step Wall: 3090.42, 0.00318028/step, 3.57057 hours remaining, 232.136719 MB of memory in use. ENERGY: 958200 3973.1531 20595.0645 14409.8500 256.7577 -203497.7451 2667.3012 0.0000 0.0000 52224.4350 -109371.1836 300.1345 -161595.6186 -109008.4208 299.7820 -78.5477 -52.3320 760792.4587 1.3962 1.2433 PRESSURE: 958400 93.0393 137.499 78.3623 137.5 276.75 187.124 78.3619 187.124 -248.472 GPRESSURE: 958400 87.3568 -51.3523 45.2661 75.5976 315.907 162.538 -40.0518 234.201 -182.376 PRESSAVG: 958400 8.47115 -80.2347 -47.1048 -80.2348 -30.5227 -19.2443 -47.1048 -19.2444 -11.6575 GPRESSAVG: 958400 7.50964 -81.6296 -48.0241 -79.97 -29.6711 -17.8811 -49.5362 -20.734 -11.3324 TIMING: 958400 CPU: 3091.06, 0.00318487/step Wall: 3091.06, 0.00318488/step, 3.57555 hours remaining, 232.136719 MB of memory in use. ENERGY: 958400 3966.8657 20664.4678 14484.3823 232.3587 -203384.1650 2689.6343 0.0000 0.0000 52139.5261 -109206.9300 299.6466 -161346.4561 -108839.1661 299.7699 40.4390 73.6292 759322.7816 -11.2363 -11.1646 PRESSURE: 958600 -176.357 -199.595 -190.828 -199.595 301.316 40.3695 -190.828 40.3685 289.615 GPRESSURE: 958600 -114.443 -264.528 -147.695 -156.672 289.704 -94.5074 -242.26 -45.4382 311.878 PRESSAVG: 958600 -64.8009 -42.7638 -20.4543 -42.7638 15.4926 -1.06537 -20.4543 -1.0655 2.13258 GPRESSAVG: 958600 -64.4437 -42.2388 -20.4545 -44.1737 14.9324 -2.48385 -19.9584 -1.02258 2.53812 TIMING: 958600 CPU: 3091.69, 0.00316891/step Wall: 3091.69, 0.00316891/step, 3.55746 hours remaining, 232.136719 MB of memory in use. ENERGY: 958600 3972.5677 20691.9010 14407.2546 279.1549 -203275.5018 2480.1148 0.0000 0.0000 52073.2097 -109371.2991 299.2655 -161444.5088 -109004.9184 299.9211 138.1915 162.3796 761101.2058 -15.7252 -15.6577 PRESSURE: 958800 117.621 -88.3764 -44.8433 -88.3767 310.952 179.011 -44.8444 179.011 97.7407 GPRESSURE: 958800 136.608 3.57013 -68.3615 57.2998 272.797 265.035 -16.727 86.4032 204.71 PRESSAVG: 958800 0.425827 -39.3556 5.62131 -39.3556 -19.0744 36.2401 5.62129 36.2401 6.29279 GPRESSAVG: 958800 0.200377 -39.5066 5.18309 -38.1895 -18.0354 37.0686 6.91987 35.8578 5.50648 TIMING: 958800 CPU: 3092.32, 0.00315807/step Wall: 3092.32, 0.00315807/step, 3.54511 hours remaining, 232.136719 MB of memory in use. ENERGY: 958800 3901.5998 20495.5162 14397.6809 257.8020 -203595.8548 2810.3221 0.0000 0.0000 52117.6400 -109615.2938 299.5208 -161732.9338 -109251.3722 299.3356 175.4380 204.7051 760865.8446 -4.1186 -4.1095 PRESSURE: 959000 414.278 17.9598 204.428 17.9592 151.174 -14.3032 204.427 -14.3032 55.6072 GPRESSURE: 959000 415.098 -55.5749 116.236 55.7705 190.569 36.6215 168.407 -23.9773 120.526 PRESSAVG: 959000 -33.9232 -42.9651 -18.1938 -42.9651 24.715 -22.5173 -18.1938 -22.5173 -3.09671 GPRESSAVG: 959000 -34.0095 -41.5749 -17.4639 -42.0385 24.0814 -21.8762 -19.5159 -23.9491 -2.69806 TIMING: 959000 CPU: 3092.96, 0.0031741/step Wall: 3092.96, 0.0031741/step, 3.56292 hours remaining, 232.136719 MB of memory in use. ENERGY: 959000 3905.5242 20453.2548 14458.1508 260.6971 -203235.6549 2549.2713 0.0000 0.0000 51835.7803 -109772.9765 297.9009 -161608.7567 -109419.3818 298.4807 207.0196 242.0641 760080.9814 -4.1016 -4.2087 PRESSURE: 959200 7.64484 -68.4975 -43.266 -68.4967 -85.3443 -295.014 -43.2663 -295.013 -33.949 GPRESSURE: 959200 17.8227 -24.5888 -16.2603 -64.0964 40.9516 -341.132 -117.839 -223.194 -92.4573 PRESSAVG: 959200 -4.72714 21.9344 -1.40008 21.9344 -32.4355 -6.36719 -1.40012 -6.36722 2.08772 GPRESSAVG: 959200 -4.07188 22.2481 -2.35396 20.6902 -32.58 -7.06084 -0.0599498 -3.87044 1.76642 TIMING: 959200 CPU: 3093.6, 0.00319016/step Wall: 3093.6, 0.00319016/step, 3.58078 hours remaining, 232.136719 MB of memory in use. ENERGY: 959200 4026.7813 20539.8676 14421.2312 238.6148 -203701.1941 2668.3104 0.0000 0.0000 52033.7877 -109772.6012 299.0389 -161806.3889 -109408.3475 298.6390 -37.2162 -11.2277 760814.4211 -11.6916 -11.6285 PRESSURE: 959400 68.3218 202.21 -84.2407 202.21 -79.2305 143.776 -84.2401 143.776 40.8928 GPRESSURE: 959400 156.614 282.93 -161.476 211.806 -8.30148 300.715 -68.6264 60.401 -20.2215 PRESSAVG: 959400 -13.6432 22.2864 -4.73322 22.2865 22.2512 -56.4283 -4.73324 -56.4282 21.3262 GPRESSAVG: 959400 -13.615 20.7978 -5.68637 22.7799 23.5099 -55.8992 -5.03054 -57.3337 20.5764 TIMING: 959400 CPU: 3094.23, 0.00315058/step Wall: 3094.23, 0.00315058/step, 3.53618 hours remaining, 232.136719 MB of memory in use. ENERGY: 959400 3903.8277 20627.1094 14352.8754 239.7443 -203130.8821 2265.4447 0.0000 0.0000 51759.3715 -109982.5091 297.4618 -161741.8807 -109614.6193 298.9697 9.9947 42.6969 761155.3765 9.9781 10.1571 PRESSURE: 959600 -16.403 11.3531 -57.153 11.3538 263.551 157.979 -57.1533 157.978 -177.699 GPRESSURE: 959600 90.9876 8.40465 -132.286 14.6124 221.797 179.35 -9.31319 125.925 -145.195 PRESSAVG: 959600 3.402 14.4297 1.96968 14.4298 -3.01417 -17.4575 1.96967 -17.4575 13.1665 GPRESSAVG: 959600 3.61862 17.0343 3.2099 11.5921 -4.32858 -16.3148 3.20324 -18.1107 14.7138 TIMING: 959600 CPU: 3094.86, 0.00316194/step Wall: 3094.86, 0.00316194/step, 3.54875 hours remaining, 232.136719 MB of memory in use. ENERGY: 959600 3913.3265 20636.9553 14400.3201 243.9292 -203669.5954 2476.4627 0.0000 0.0000 52077.6949 -109920.9068 299.2912 -161998.6017 -109553.8397 298.8792 23.1498 55.8632 760458.5412 4.5181 4.6679 PRESSURE: 959800 38.1838 206.237 80.8846 206.238 -62.706 57.9346 80.8851 57.9359 7.29642 GPRESSURE: 959800 32.9749 141.936 -7.59781 122.406 41.8343 42.3702 1.07129 39.2436 -19.1107 PRESSAVG: 959800 57.8438 -18.3674 -10.3848 -18.3674 -20.9485 -4.4709 -10.3848 -4.47086 10.6054 GPRESSAVG: 959800 57.2287 -18.6714 -8.99663 -15.607 -18.7413 -6.15982 -12.8207 -3.38752 9.79247 TIMING: 959800 CPU: 3095.49, 0.00317845/step Wall: 3095.49, 0.00317845/step, 3.5671 hours remaining, 232.136719 MB of memory in use. ENERGY: 959800 4025.7167 20640.6684 14437.5915 246.0444 -203084.7474 2109.1146 0.0000 0.0000 51881.3074 -109744.3044 298.1626 -161625.6118 -109391.3499 298.7767 -5.7419 18.5662 760523.3805 15.8336 16.0933 PRESSURE: 960000 -367.081 -165.626 -106.402 -165.627 51.3334 67.9468 -106.401 67.9475 10.954 GPRESSURE: 960000 -234.649 -57.5237 -126.131 -203.168 -18.6197 79.7034 -60.5735 71.5961 42.7926 PRESSAVG: 960000 23.0932 -0.870084 28.66 -0.870085 -16.9568 -44.5693 28.66 -44.5693 -9.58463 GPRESSAVG: 960000 24.4098 -2.02298 27.3424 -0.873503 -18.8516 -43.7171 28.5009 -46.4451 -9.36548 TIMING: 960000 CPU: 3096.12, 0.00315223/step Wall: 3096.12, 0.00315223/step, 3.53751 hours remaining, 232.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 960000 3937.0672 20492.6382 14418.0297 246.5130 -203329.6669 2393.2142 0.0000 0.0000 51897.1134 -109945.0914 298.2534 -161842.2047 -109586.1643 298.7602 -101.5980 -70.1586 759903.4627 -1.1494 -1.2691 PRESSURE: 960200 331.321 -115.531 -168.166 -115.531 -330.222 -70.8958 -168.166 -70.896 -161.433 GPRESSURE: 960200 317.154 -87.0159 -88.5427 -188.975 -324.355 -46.6196 -136.086 -119.207 -58.0899 PRESSAVG: 960200 16.8057 -16.542 -9.14869 -16.5419 -66.3106 -7.47977 -9.14873 -7.47973 -14.286 GPRESSAVG: 960200 16.4665 -16.9298 -8.17793 -15.8409 -66.003 -5.80273 -7.56296 -7.51424 -14.4421 TIMING: 960200 CPU: 3096.75, 0.00315333/step Wall: 3096.75, 0.00315333/step, 3.53856 hours remaining, 232.136719 MB of memory in use. ENERGY: 960200 3933.8062 20532.6410 14486.7036 230.1546 -203744.0847 2607.8523 0.0000 0.0000 52171.8135 -109781.1136 299.8321 -161952.9270 -109406.9829 298.5883 -53.4447 -21.7636 760709.5837 -21.2636 -21.3262 LDB: ============= START OF LOAD BALANCING ============== 3109.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3109.18 LDB: =============== DONE WITH MIGRATION ================ 3109.18 LDB: ============= START OF LOAD BALANCING ============== 3109.49 LDB: Largest compute 7075 load 0.036401 is 18.6% of average load 0.195490 LDB: Average compute 0.004397 is 2.2% of average load 0.195490 LDB: TIME 3109.5 LOAD: AVG 0.19549 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.59 MB LDB: TIME 3109.5 LOAD: AVG 0.19549 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.66 MB LDB: TIME 3109.5 LOAD: AVG 0.19549 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.66 MB LDB: ============== END OF LOAD BALANCING =============== 3109.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3109.5 PRESSURE: 960400 -357.228 98.9388 -294.973 98.939 15.3779 -17.6498 -294.974 -17.6495 440.717 GPRESSURE: 960400 -302.914 115.965 -241.703 114.771 36.0914 8.53973 -233.028 -42.2794 458.631 PRESSAVG: 960400 -0.90591 -55.2833 7.72845 -55.2833 3.60244 -2.80508 7.72846 -2.8051 9.23228 GPRESSAVG: 960400 -2.13646 -53.8122 7.50895 -57.9208 4.05206 -5.16873 7.55257 -2.71751 9.82824 TIMING: 960400 CPU: 3097.4, 0.00321882/step Wall: 3097.4, 0.00321882/step, 3.61187 hours remaining, 232.480469 MB of memory in use. ENERGY: 960400 3962.5217 20538.3219 14519.3469 252.2696 -203841.2756 2552.8574 0.0000 0.0000 52108.4382 -109907.5199 299.4679 -162015.9581 -109531.3696 298.9274 32.9556 63.9363 759232.6010 3.9763 3.9146 PRESSURE: 960600 80.281 0.462701 -141.531 0.462268 -362.277 -33.4721 -141.531 -33.4715 35.3522 GPRESSURE: 960600 69.6648 -76.5936 -123.992 -81.1562 -242.63 -45.9604 -128.981 39.8408 9.11932 PRESSAVG: 960600 -0.155126 -66.1312 20.5301 -66.1312 -15.1134 -42.1331 20.5301 -42.1332 6.66816 GPRESSAVG: 960600 -0.621993 -67.9947 21.2689 -63.3449 -14.9938 -41.0762 19.6727 -42.6889 7.20533 TIMING: 960600 CPU: 3098.03, 0.00316/step Wall: 3098.03, 0.00316/step, 3.5457 hours remaining, 232.683594 MB of memory in use. ENERGY: 960600 3954.9008 20572.3220 14447.0331 248.3102 -203590.3750 2668.0141 0.0000 0.0000 51783.7555 -109916.0392 297.6020 -161699.7947 -109549.9431 298.8690 -82.2147 -54.6154 761068.6359 -2.8668 -2.8035 PRESSURE: 960800 66.4442 -229.049 126.356 -229.05 395.328 271.512 126.355 271.511 83.1748 GPRESSURE: 960800 154.904 -102.793 150.499 -266.911 425.414 254.123 137.978 202.224 52.459 PRESSAVG: 960800 -4.84104 3.92065 -3.71266 3.92063 11.2647 14.6794 -3.71267 14.6794 -14.5091 GPRESSAVG: 960800 -4.15326 6.80984 -6.22422 2.78123 10.6061 16.3389 -1.76868 16.2797 -14.5585 TIMING: 960800 CPU: 3098.66, 0.00315141/step Wall: 3098.66, 0.00315141/step, 3.53589 hours remaining, 232.683594 MB of memory in use. ENERGY: 960800 4045.1818 20525.7877 14417.2999 232.7956 -203681.6052 2652.9167 0.0000 0.0000 51923.6222 -109884.0013 298.4058 -161807.6235 -109531.4350 298.8525 181.6489 210.9258 759338.7294 -2.6951 -2.7019 PRESSURE: 961000 45.6593 -54.0158 19.2908 -54.0161 120.237 166.453 19.2911 166.452 284.698 GPRESSURE: 961000 95.4628 -34.7937 -3.45218 -53.926 141.464 175.361 8.41975 253.512 279.632 PRESSAVG: 961000 -6.53308 -13.8634 11.3562 -13.8634 -6.56422 21.592 11.3562 21.592 -13.9611 GPRESSAVG: 961000 -6.99575 -14.3766 12.5879 -14.7611 -5.92485 20.5753 9.74794 20.5184 -14.8979 TIMING: 961000 CPU: 3099.29, 0.00315357/step Wall: 3099.29, 0.00315357/step, 3.53813 hours remaining, 232.683594 MB of memory in use. ENERGY: 961000 4042.2331 20506.1550 14446.7503 242.8966 -203910.5924 2814.0619 0.0000 0.0000 52020.6965 -109837.7991 298.9637 -161858.4956 -109475.3312 298.8058 150.1980 172.1864 760565.0583 -9.0195 -9.2728 PRESSURE: 961200 -151.317 -217.638 23.155 -217.638 -252.924 276.543 23.1561 276.544 -466.304 GPRESSURE: 961200 -93.1671 -170.517 -45.1988 -176.681 -257.217 288.675 116.388 186.408 -425.964 PRESSAVG: 961200 18.7046 -53.922 23.5069 -53.922 -15.4681 28.2543 23.5069 28.2542 1.83142 GPRESSAVG: 961200 20.0467 -55.0498 23.8649 -52.9163 -16.2118 26.5582 21.68 29.6009 1.40406 TIMING: 961200 CPU: 3099.92, 0.00315674/step Wall: 3099.92, 0.00315674/step, 3.54151 hours remaining, 232.683594 MB of memory in use. ENERGY: 961200 4039.9275 20706.7628 14433.9898 253.9606 -203620.4329 2446.0489 0.0000 0.0000 51673.9789 -110065.7643 296.9711 -161739.7433 -109711.8843 298.8422 -290.1816 -258.7825 759447.5057 1.6893 1.7463 PRESSURE: 961400 3.09802 102.846 -92.2845 102.846 -117.677 -137.717 -92.2849 -137.717 -381.809 GPRESSURE: 961400 -24.2331 92.252 -43.2398 136.404 -32.5989 -122.867 -145.224 59.8335 -340.699 PRESSAVG: 961400 -21.5928 -32.4055 -12.2905 -32.4055 26.6391 35.6548 -12.2906 35.6548 -20.6201 GPRESSAVG: 961400 -21.8365 -32.4752 -12.8678 -31.2833 26.4061 36.6424 -9.0753 34.3278 -20.1119 TIMING: 961400 CPU: 3100.55, 0.00314199/step Wall: 3100.55, 0.00314199/step, 3.52479 hours remaining, 232.683594 MB of memory in use. ENERGY: 961400 4009.0124 20564.4621 14408.8704 226.9543 -203836.6847 2577.7734 0.0000 0.0000 51899.5740 -110150.0381 298.2676 -162049.6121 -109775.3344 298.0756 -165.4628 -132.5104 760735.5729 -5.1913 -5.1808 PRESSURE: 961600 54.3531 -73.0045 75.3869 -73.0043 4.66097 -58.5545 75.3867 -58.5548 108.441 GPRESSURE: 961600 136.459 -68.9757 139.736 -109.914 -6.79897 -66.6015 -40.4352 62.383 125.821 PRESSAVG: 961600 15.5917 -42.2474 3.97321 -42.2475 -39.8574 -46.8738 3.97323 -46.8738 34.1609 GPRESSAVG: 961600 13.8852 -40.7149 3.76127 -44.5307 -38.0517 -47.4606 3.57088 -47.2817 34.3632 TIMING: 961600 CPU: 3101.18, 0.00314347/step Wall: 3101.18, 0.00314347/step, 3.52627 hours remaining, 232.683594 MB of memory in use. ENERGY: 961600 3914.2785 20780.2176 14489.3198 243.1054 -204143.3949 2662.4198 0.0000 0.0000 51968.7011 -110085.3527 298.6648 -162054.0538 -109724.1911 298.2766 55.8182 85.1604 759819.3360 3.2984 3.3989 PRESSURE: 961800 -80.3249 -202.765 -187.82 -202.766 83.5 151.879 -187.82 151.88 555.459 GPRESSURE: 961800 39.2566 -187.218 -218.122 -212.34 146.631 182.415 -55.9322 107.729 433.348 PRESSAVG: 961800 2.19852 -35.5569 -18.123 -35.5569 10.2932 -64.6487 -18.123 -64.6487 15.2469 GPRESSAVG: 961800 3.15996 -36.7642 -17.684 -33.0217 9.83192 -64.0113 -21.6273 -63.6519 15.1898 TIMING: 961800 CPU: 3101.81, 0.00316066/step Wall: 3101.81, 0.00316066/step, 3.54538 hours remaining, 232.683594 MB of memory in use. ENERGY: 961800 3877.2345 20711.4814 14441.1905 243.0714 -203582.3007 2463.1146 0.0000 0.0000 51940.1853 -109906.0230 298.5010 -161846.2083 -109541.6838 298.6250 186.2112 206.4117 759587.1937 9.2462 9.3939 PRESSURE: 962000 14.9406 -108.52 -19.4681 -108.521 -445.457 -138.964 -19.4681 -138.965 -290.667 GPRESSURE: 962000 -22.1801 -12.1831 -72.8675 -130.178 -326.112 -206.545 -74.0232 21.6421 -295.544 PRESSAVG: 962000 -26.7282 -45.3992 2.13282 -45.3993 15.9594 -10.7733 2.13282 -10.7732 13.9118 GPRESSAVG: 962000 -27.1801 -46.2369 1.61966 -46.1594 16.0549 -10.9197 4.60714 -11.4886 14.8232 TIMING: 962000 CPU: 3102.44, 0.00313116/step Wall: 3102.44, 0.00313116/step, 3.51211 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 3941.8295 20631.5241 14450.0640 258.7839 -203713.0392 2518.1731 0.0000 0.0000 52051.6555 -109861.0092 299.1416 -161912.6646 -109493.7645 299.2981 -240.3945 -214.6118 759885.7416 1.0477 1.2327 PRESSURE: 962200 66.3447 -21.6544 124.992 -21.6537 137.318 40.0152 124.992 40.0148 -155.384 GPRESSURE: 962200 54.8856 -58.1946 226.819 -8.70299 185.702 97.2462 8.34056 8.92314 -90.9045 PRESSAVG: 962200 32.2936 -69.9569 3.11537 -69.9569 -69.8552 57.4335 3.11537 57.4335 4.0094 GPRESSAVG: 962200 32.9848 -71.0893 1.48146 -68.6151 -70.1936 57.2596 2.80542 57.8102 3.97149 TIMING: 962200 CPU: 3103.07, 0.00315037/step Wall: 3103.07, 0.00315037/step, 3.53349 hours remaining, 232.683594 MB of memory in use. ENERGY: 962200 3973.4200 20434.4053 14372.7959 270.0040 -203575.0985 2473.2986 0.0000 0.0000 52145.9639 -109905.2108 299.6836 -162051.1747 -109530.8881 298.8410 16.0928 49.8945 759167.9269 -11.1841 -11.0791 PRESSURE: 962400 -82.2058 -15.8335 -51.3567 -15.8344 64.065 -132.082 -51.3566 -132.083 -47.3217 GPRESSURE: 962400 -39.207 136.517 -89.9801 -34.1119 120.223 -51.2865 -84.4944 -111.087 -74.9732 PRESSAVG: 962400 1.9327 -72.4065 9.86942 -72.4064 41.4448 8.26993 9.86945 8.26997 15.1377 GPRESSAVG: 962400 1.9991 -69.4767 10.6839 -73.0505 41.1415 6.95213 10.8881 9.05502 15.4497 TIMING: 962400 CPU: 3103.69, 0.00312883/step Wall: 3103.69, 0.00312883/step, 3.50916 hours remaining, 232.683594 MB of memory in use. ENERGY: 962400 3984.6170 20547.2652 14460.4394 261.3473 -203628.4369 2359.8539 0.0000 0.0000 52086.0169 -109928.8972 299.3391 -162014.9141 -109564.7132 298.9707 -21.8208 2.0143 758331.2697 19.5051 19.5301 PRESSURE: 962600 -209.162 142.949 26.6051 142.95 -236.863 109.58 26.6041 109.58 147.729 GPRESSURE: 962600 -98.9765 208.502 53.1934 34.9509 -164.094 61.6042 97.309 111.505 44.7048 PRESSAVG: 962600 -6.1382 -32.1 46.0725 -32.1 -28.5143 28.0844 46.0725 28.0845 1.13976 GPRESSAVG: 962600 -5.09927 -32.7288 47.5648 -32.9053 -28.8002 30.2374 45.2638 26.3409 0.497859 TIMING: 962600 CPU: 3104.32, 0.0031389/step Wall: 3104.32, 0.0031389/step, 3.52028 hours remaining, 232.683594 MB of memory in use. ENERGY: 962600 4046.8863 20612.3888 14500.8537 238.0958 -203295.1106 2417.6611 0.0000 0.0000 51683.8186 -109795.4063 297.0276 -161479.2249 -109438.8489 298.8417 -99.4319 -72.7886 761361.0954 -11.1709 -11.1339 PRESSURE: 962800 114.153 -124.53 -77.2496 -124.529 -190.044 -277.965 -77.25 -277.965 -37.7204 GPRESSURE: 962800 195.441 -44.6554 41.2897 4.30468 -218.047 -206.378 -150.594 -209.437 0.550818 PRESSAVG: 962800 30.4864 -4.26587 47.8654 -4.26584 -31.3085 11.7529 47.8655 11.7529 3.31239 GPRESSAVG: 962800 28.8929 -6.25473 47.7221 -4.39408 -31.0748 12.7757 46.3205 11.7739 4.36553 TIMING: 962800 CPU: 3104.95, 0.00313045/step Wall: 3104.95, 0.00313045/step, 3.51063 hours remaining, 232.683594 MB of memory in use. ENERGY: 962800 4030.8777 20562.5185 14426.1987 231.7297 -203614.8416 2466.4070 0.0000 0.0000 52217.8172 -109679.2929 300.0965 -161897.1101 -109307.3380 298.9393 -37.8704 -7.3515 758749.2522 0.8301 0.7279 PRESSURE: 963000 -270.424 -121.981 93.427 -121.981 93.5698 76.2326 93.4268 76.2325 -202.035 GPRESSURE: 963000 -290.213 -148.947 96.8321 -35.2429 207.411 45.521 164.985 126.281 -207.468 PRESSAVG: 963000 -10.9374 7.33238 21.9724 7.33241 9.22048 17.9676 21.9725 17.9676 -13.3982 GPRESSAVG: 963000 -10.1659 9.11315 20.7705 7.90405 9.3438 15.9286 22.8861 19.7401 -14.4282 TIMING: 963000 CPU: 3105.58, 0.00314069/step Wall: 3105.58, 0.00314069/step, 3.52193 hours remaining, 232.683594 MB of memory in use. ENERGY: 963000 4015.5173 20660.4514 14486.5518 256.1985 -203761.3498 2584.8379 0.0000 0.0000 52110.6842 -109647.1086 299.4808 -161757.7929 -109285.5611 299.3142 -126.2964 -96.7570 759502.7439 -5.0384 -5.0835 PRESSURE: 963200 263.194 -67.1624 -24.8812 -67.1624 375.885 -34.6545 -24.8815 -34.6548 -14.7849 GPRESSURE: 963200 366.228 -16.1947 -60.0564 -89.9151 403.406 3.7112 49.4922 -49.4037 -55.9169 PRESSAVG: 963200 10.5821 -47.0172 89.2725 -47.0172 15.0985 12.8546 89.2725 12.8546 24.5258 GPRESSAVG: 963200 10.461 -48.6374 89.2101 -47.1981 15.3183 14.9823 90.2834 11.1849 24.2311 TIMING: 963200 CPU: 3106.21, 0.00316324/step Wall: 3106.21, 0.00316324/step, 3.54704 hours remaining, 232.683594 MB of memory in use. ENERGY: 963200 3940.8834 20624.4536 14500.0068 249.4805 -203566.5117 2494.5155 0.0000 0.0000 51969.7333 -109787.4386 298.6708 -161757.1719 -109425.7477 299.2013 208.0981 237.9058 761403.3169 16.7355 16.6701 PRESSURE: 963400 -538.624 -147.883 -188.16 -147.884 195.219 -171.064 -188.16 -171.064 -61.7706 GPRESSURE: 963400 -521.626 -200.422 -203.048 -107.62 220.356 -157.028 -259.183 -101.296 -31.961 PRESSAVG: 963400 -5.0277 -35.1701 24.0031 -35.1702 0.202816 -24.9649 24.0031 -24.9649 -11.6758 GPRESSAVG: 963400 -5.41365 -35.1479 25.0914 -35.9567 0.141312 -27.8208 20.574 -23.6741 -11.6657 TIMING: 963400 CPU: 3106.84, 0.00314881/step Wall: 3106.84, 0.00314881/step, 3.5307 hours remaining, 232.683594 MB of memory in use. ENERGY: 963400 3999.5412 20587.3094 14437.0264 233.2830 -203448.0294 2599.2118 0.0000 0.0000 51980.3769 -109611.2806 298.7319 -161591.6575 -109257.4656 298.7988 -135.0584 -111.0771 759996.6920 -5.5002 -5.6460 PRESSURE: 963600 414.214 -124.927 -32.2674 -124.928 155.994 -281.098 -32.2674 -281.098 -152.2 GPRESSURE: 963600 407.75 -66.9784 68.1629 -104.265 166.021 -360.425 -22.6597 -310.917 -62.2471 PRESSAVG: 963600 -19.5911 -54.6894 38.6921 -54.6894 24.3518 -2.61976 38.6921 -2.61985 14.0491 GPRESSAVG: 963600 -20.0631 -52.475 35.914 -54.0944 23.3704 -1.8599 42.9688 -2.9485 15.1711 TIMING: 963600 CPU: 3107.47, 0.0031489/step Wall: 3107.47, 0.0031489/step, 3.53062 hours remaining, 232.683594 MB of memory in use. ENERGY: 963600 3986.4769 20484.8428 14479.5293 236.2886 -203353.7670 2475.1628 0.0000 0.0000 51819.9285 -109871.5381 297.8098 -161691.4666 -109516.5531 298.8592 139.3362 170.5080 759239.4050 6.2699 6.1595 PRESSURE: 963800 -385.224 -120.453 -2.76659 -120.452 -391.211 110.055 -2.76652 110.055 -362.998 GPRESSURE: 963800 -371.463 -259.098 52.031 -136.304 -413.663 134.005 -64.7584 78.7093 -282.493 PRESSAVG: 963800 -35.67 -57.8935 31.9257 -57.8934 23.5979 -18.9972 31.9257 -18.9973 3.36683 GPRESSAVG: 963800 -36.2573 -59.7151 34.5362 -57.4335 23.1944 -18.2877 29.2912 -19.695 3.7317 TIMING: 963800 CPU: 3108.1, 0.00314931/step Wall: 3108.1, 0.00314931/step, 3.5309 hours remaining, 232.683594 MB of memory in use. ENERGY: 963800 3929.6833 20566.7240 14451.0217 244.6593 -202989.4889 1884.8118 0.0000 0.0000 52015.5458 -109897.0429 298.9341 -161912.5887 -109538.3695 298.2474 -379.8108 -355.8729 759713.9447 -2.9018 -3.1104 PRESSURE: 964000 -360.03 81.3489 42.1296 81.3485 -1.35035 -139.783 42.1284 -139.782 -331.455 GPRESSURE: 964000 -340.507 92.7213 -17.3888 38.0922 40.9523 -220.391 50.8902 -78.972 -305.348 PRESSAVG: 964000 -42.7937 -17.3016 5.67162 -17.3015 51.7282 22.1228 5.67167 22.1229 26.2178 GPRESSAVG: 964000 -41.9678 -16.1466 5.94368 -16.324 53.0416 21.1787 6.09937 23.0812 24.7596 TIMING: 964000 CPU: 3108.73, 0.0031638/step Wall: 3108.73, 0.0031638/step, 3.54697 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 3970.7529 20470.0789 14500.5604 242.3423 -203195.1696 2325.4250 0.0000 0.0000 51805.6680 -109880.3422 297.7279 -161686.0101 -109517.0919 298.4027 -230.9451 -201.6343 761347.4708 11.7174 11.9445 PRESSURE: 964200 -258.998 -383.36 -67.9238 -383.36 -145.436 277.395 -67.9245 277.396 -186.348 GPRESSURE: 964200 -224.541 -218.056 -119.771 -232.632 -91.1563 191.476 -37.6253 294.343 -170.651 PRESSAVG: 964200 -124.798 -79.0445 15.0091 -79.0446 99.5259 19.2489 15.0091 19.2487 15.6056 GPRESSAVG: 964200 -125.447 -79.7662 14.6598 -79.9685 99.7216 18.9618 15.2379 17.5204 15.6333 TIMING: 964200 CPU: 3109.36, 0.00314122/step Wall: 3109.36, 0.00314122/step, 3.52148 hours remaining, 232.683594 MB of memory in use. ENERGY: 964200 4033.4939 20509.0365 14457.9967 250.4459 -203427.1203 2447.7596 0.0000 0.0000 52051.8594 -109676.5283 299.1428 -161728.3877 -109321.0821 298.9830 -196.9274 -162.1163 762088.2414 -3.2220 -3.3640 LDB: ============= START OF LOAD BALANCING ============== 3121.78 LDB: ============== END OF LOAD BALANCING =============== 3121.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3121.78 LDB: ============= START OF LOAD BALANCING ============== 3122.09 LDB: Largest compute 7075 load 0.037185 is 19.0% of average load 0.195545 LDB: Average compute 0.004398 is 2.2% of average load 0.195545 LDB: TIME 3122.1 LOAD: AVG 0.195545 MAX 0.213673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.652 MB LDB: TIME 3122.1 LOAD: AVG 0.195545 MAX 0.213673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: TIME 3122.1 LOAD: AVG 0.195545 MAX 0.213673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: ============== END OF LOAD BALANCING =============== 3122.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3122.1 PRESSURE: 964400 -392.62 44.7131 113.857 44.7138 -342.339 -89.4534 113.858 -89.4537 -203.046 GPRESSURE: 964400 -347.579 38.8553 99.9961 21.155 -237.15 -106.531 84.6839 189.537 -277.52 PRESSAVG: 964400 -19.4051 -65.0824 -50.8826 -65.0824 10.7265 28.432 -50.8826 28.4321 -8.86583 GPRESSAVG: 964400 -17.4292 -66.4139 -50.3994 -65.6597 10.5442 28.0896 -51.052 30.2241 -9.95359 TIMING: 964400 CPU: 3110, 0.00319096/step Wall: 3110, 0.00319095/step, 3.57706 hours remaining, 233.132812 MB of memory in use. ENERGY: 964400 3912.1441 20611.5055 14486.1422 244.3591 -203457.1785 2378.3297 0.0000 0.0000 52075.3382 -109749.3597 299.2777 -161824.6979 -109391.7299 299.3788 -312.6683 -287.4166 760462.3378 -5.8482 -5.6129 PRESSURE: 964600 -156.228 -112.21 -140.729 -112.209 116.718 -31.9087 -140.728 -31.9092 132.021 GPRESSURE: 964600 -65.6687 -93.8601 -237.215 -112.651 13.7819 -72.0045 -254.26 -14.3942 224.749 PRESSAVG: 964600 0.539406 -26.688 -0.327864 -26.6879 24.7469 15.9666 -0.327866 15.9666 -30.589 GPRESSAVG: 964600 0.273614 -24.4739 -0.350495 -27.9734 24.4118 16.146 -1.9851 15.9378 -29.9533 TIMING: 964600 CPU: 3110.63, 0.00314586/step Wall: 3110.63, 0.00314586/step, 3.52634 hours remaining, 233.132812 MB of memory in use. ENERGY: 964600 4000.9223 20473.4428 14590.3101 243.0790 -203840.9777 2734.4850 0.0000 0.0000 52051.2442 -109747.4942 299.1392 -161798.7385 -109388.9296 298.9646 30.8369 57.6208 759483.0385 -1.7676 -1.7560 PRESSURE: 964800 -100.128 -13.9903 -85.5706 -13.99 -218.857 -54.0476 -85.5707 -54.0479 -62.0131 GPRESSURE: 964800 15.8048 37.6356 -116.532 30.1238 -214.254 -127.596 98.6369 63.2574 -91.6029 PRESSAVG: 964800 -43.0226 -28.6923 50.5699 -28.6923 32.4054 -43.9645 50.5698 -43.9645 8.72274 GPRESSAVG: 964800 -44.993 -28.5437 50.6494 -28.4919 33.0232 -42.3728 51.9123 -44.1523 10.4254 TIMING: 964800 CPU: 3111.25, 0.00313303/step Wall: 3111.25, 0.00313303/step, 3.51178 hours remaining, 233.132812 MB of memory in use. ENERGY: 964800 4028.3197 20383.1465 14508.8969 247.4919 -203931.0645 2825.9034 0.0000 0.0000 52131.7078 -109805.5982 299.6016 -161937.3061 -109443.6808 298.9961 -126.9994 -96.6842 759839.6853 -0.6315 -0.5148 PRESSURE: 965000 -86.4507 73.4001 281.976 73.4001 -22.5812 -16.872 281.976 -16.8724 -49.3198 GPRESSURE: 965000 -96.4392 5.00516 237.385 -20.7142 97.0509 -19.0629 198.487 19.9888 -64.5062 PRESSAVG: 965000 35.9402 -20.7434 39.2174 -20.7434 -9.54228 38.0944 39.2174 38.0944 -4.24686 GPRESSAVG: 965000 37.4718 -22.5973 38.1804 -19.0674 -9.75147 38.4615 39.8718 38.5727 -4.57758 TIMING: 965000 CPU: 3111.88, 0.00312954/step Wall: 3111.88, 0.00312954/step, 3.50769 hours remaining, 233.132812 MB of memory in use. ENERGY: 965000 4057.9771 20489.8806 14469.0207 250.4734 -204053.6928 2861.8504 0.0000 0.0000 52324.7895 -109599.7011 300.7113 -161924.4906 -109235.1219 299.2467 -52.7839 -21.2982 760847.4565 7.3837 7.7143 PRESSURE: 965200 -97.3881 -84.5592 -121.241 -84.5588 -117.772 113.376 -121.242 113.376 -139.863 GPRESSURE: 965200 -22.0804 -60.0378 -77.3817 -175.638 -37.3012 138.565 -105.987 44.9269 -191.827 PRESSAVG: 965200 9.54721 -32.8089 25.6456 -32.8089 62.8304 1.79785 25.6456 1.79785 19.5419 GPRESSAVG: 965200 9.73835 -33.3227 25.4573 -33.2169 63.6737 0.568174 23.416 0.251299 18.5392 TIMING: 965200 CPU: 3112.5, 0.00311428/step Wall: 3112.5, 0.00311428/step, 3.49041 hours remaining, 233.132812 MB of memory in use. ENERGY: 965200 4041.2652 20608.7024 14464.7372 231.3886 -203400.7817 2489.7707 0.0000 0.0000 52109.5018 -109455.4157 299.4740 -161564.9176 -109096.7843 299.1547 -118.3411 -83.7361 762162.2162 30.6398 30.6504 PRESSURE: 965400 108.631 -84.0119 -117.184 -84.0131 117.325 168.067 -117.184 168.068 -117.854 GPRESSURE: 965400 55.0173 -138.31 -11.4408 -51.9915 103.438 230.731 -94.9383 157.015 20.3035 PRESSAVG: 965400 -3.52925 -46.953 54.9905 -46.9531 17.0467 8.15584 54.9905 8.15589 -19.8312 GPRESSAVG: 965400 -3.82613 -47.1663 54.1879 -45.2002 16.3334 7.07258 56.1453 9.83248 -18.7579 TIMING: 965400 CPU: 3113.13, 0.00312017/step Wall: 3113.13, 0.00312017/step, 3.49685 hours remaining, 233.132812 MB of memory in use. ENERGY: 965400 4052.8070 20546.7405 14493.8200 224.5835 -203304.2251 2408.2458 0.0000 0.0000 52098.2719 -109479.7565 299.4095 -161578.0284 -109104.5869 299.7436 36.0338 59.5864 759145.2006 -2.1046 -2.0835 PRESSURE: 965600 -336.744 -8.31848 -176.394 -8.31918 -501.706 -124.873 -176.394 -124.872 -298.489 GPRESSURE: 965600 -253.17 31.3547 -128.781 -5.54639 -508.446 -119.982 -202.499 -88.2619 -282.787 PRESSAVG: 965600 -8.71885 -62.5429 29.5272 -62.543 1.78234 34.2663 29.5272 34.2664 4.40913 GPRESSAVG: 965600 -8.69527 -62.8747 30.9697 -64.9357 2.00005 35.2147 28.4374 32.9848 3.91502 TIMING: 965600 CPU: 3113.75, 0.00312804/step Wall: 3113.75, 0.00312804/step, 3.50549 hours remaining, 233.132812 MB of memory in use. ENERGY: 965600 4048.2013 20565.6231 14405.7803 240.9616 -203438.8733 2475.0663 0.0000 0.0000 52111.0314 -109592.2091 299.4828 -161703.2406 -109215.9039 299.7617 -378.9798 -348.1343 761691.1759 -0.8425 -0.9267 PRESSURE: 965800 98.1562 99.7256 58.7876 99.7251 293.077 -72.1503 58.788 -72.1497 58.9269 GPRESSURE: 965800 90.2913 95.6953 84.4714 132.698 346.846 -64.8065 46.6015 -13.0112 105.615 PRESSAVG: 965800 -12.2361 -47.4355 -19.5653 -47.4355 16.6915 -2.99689 -19.5653 -2.99679 21.7198 GPRESSAVG: 965800 -11.462 -44.9936 -18.983 -47.1005 16.468 -1.45852 -19.1649 -4.63888 21.3441 TIMING: 965800 CPU: 3114.38, 0.00315925/step Wall: 3114.38, 0.00315925/step, 3.54029 hours remaining, 233.132812 MB of memory in use. ENERGY: 965800 3997.3804 20631.8474 14513.5874 255.4068 -203615.6144 2578.7003 0.0000 0.0000 52130.1264 -109508.5659 299.5926 -161638.6922 -109132.2354 300.0217 150.0533 180.9176 760247.3121 8.7251 8.7834 PRESSURE: 966000 -36.0637 -52.0709 99.2252 -52.0703 -251.453 -305.302 99.225 -305.302 87.5962 GPRESSURE: 966000 34.9841 -40.3084 160.02 -94.9381 -214.996 -175.127 4.10917 -200.038 66.5843 PRESSAVG: 966000 -4.55112 -48.6422 -12.4326 -48.6422 56.586 -35.7722 -12.4325 -35.7722 34.4278 GPRESSAVG: 966000 -6.19079 -49.832 -12.6459 -48.8641 57.3774 -37.4356 -12.2395 -32.174 34.6288 TIMING: 966000 CPU: 3115.02, 0.00316609/step Wall: 3115.02, 0.00316609/step, 3.54778 hours remaining, 233.132812 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: 966000 4003.3308 20702.4686 14460.7942 263.8497 -203585.9863 2586.2473 0.0000 0.0000 51920.8517 -109648.4440 298.3898 -161569.2957 -109286.6268 299.7488 -66.6400 -37.8093 761144.1565 28.8209 28.6051 PRESSURE: 966200 -407.101 -117.341 26.3234 -117.341 -109.284 159.065 26.3237 159.066 -104.486 GPRESSURE: 966200 -281.523 -183.264 38.2417 -152.538 -127.123 130.643 -20.6359 141.659 -94.3977 PRESSAVG: 966200 -17.3139 -91.5585 5.6309 -91.5586 9.22799 -40.821 5.63084 -40.821 9.22389 GPRESSAVG: 966200 -16.8205 -91.4256 4.86104 -91.4524 8.07789 -40.1206 8.18644 -40.7839 10.222 TIMING: 966200 CPU: 3115.65, 0.00316619/step Wall: 3115.65, 0.00316619/step, 3.54772 hours remaining, 233.132812 MB of memory in use. ENERGY: 966200 4019.2084 20515.7465 14445.8985 227.9871 -203253.5270 2470.7253 0.0000 0.0000 52038.0284 -109535.9329 299.0633 -161573.9613 -109170.3662 299.0167 -206.9572 -167.6812 761447.0781 0.3793 0.4931 PRESSURE: 966400 131.76 103.785 -27.567 103.785 -36.7467 5.47725 -27.568 5.47655 67.9514 GPRESSURE: 966400 160.468 51.5849 36.7286 34.3503 25.2066 21.2127 -34.8747 -6.07164 40.4417 PRESSAVG: 966400 24.8729 -33.557 -29.7291 -33.557 -57.3714 38.3296 -29.7291 38.3296 5.24163 GPRESSAVG: 966400 25.0839 -33.3519 -28.3641 -35.1095 -56.7538 36.7782 -32.9536 38.8702 3.6835 TIMING: 966400 CPU: 3116.28, 0.00314122/step Wall: 3116.28, 0.00314122/step, 3.51956 hours remaining, 233.132812 MB of memory in use. ENERGY: 966400 3946.9649 20675.5323 14448.9379 232.0557 -203866.7765 2778.0331 0.0000 0.0000 52351.6560 -109433.5966 300.8657 -161785.2526 -109075.9947 299.2149 54.3215 75.3722 761705.7286 -9.0856 -9.3288 PRESSURE: 966600 356.789 -31.1948 -134.345 -31.1945 -36.7235 -94.7691 -134.345 -94.7692 -14.0458 GPRESSURE: 966600 318.089 6.89659 -78.2505 51.6125 -8.64195 -58.0305 11.8946 -86.8301 78.4563 PRESSAVG: 966600 0.741768 -36.1391 -0.807948 -36.1392 -7.25777 24.3302 -0.807867 24.3302 3.40358 GPRESSAVG: 966600 0.31638 -34.8995 -3.40601 -35.9732 -8.13391 26.4409 1.211 23.2292 4.62668 TIMING: 966600 CPU: 3116.9, 0.00312816/step Wall: 3116.9, 0.00312816/step, 3.50476 hours remaining, 233.132812 MB of memory in use. ENERGY: 966600 4015.3075 20721.9187 14429.3465 249.6310 -203827.3647 2820.4005 0.0000 0.0000 52094.0947 -109496.6658 299.3855 -161590.7605 -109129.1371 299.1796 102.0065 129.3012 759319.8949 -1.0375 -1.0636 PRESSURE: 966800 -312.851 -4.08014 -193.838 -4.08025 176.704 141.072 -193.837 141.072 24.9299 GPRESSURE: 966800 -223.054 -132.766 -144.648 -38.2152 194.647 127.559 -345.38 118.8 22.9875 PRESSAVG: 966800 -7.35616 -35.6259 -17.2856 -35.6259 -20.9242 25.7174 -17.2856 25.7174 -28.96 GPRESSAVG: 966800 -7.58282 -38.0632 -16.1308 -34.4062 -19.8858 25.4331 -19.3918 24.779 -29.6907 TIMING: 966800 CPU: 3117.53, 0.00313738/step Wall: 3117.53, 0.00313738/step, 3.51491 hours remaining, 233.132812 MB of memory in use. ENERGY: 966800 4079.9674 20399.1260 14431.3609 253.3917 -203271.4505 2554.5379 0.0000 0.0000 52106.2360 -109446.8307 299.4553 -161553.0667 -109076.4105 299.5454 -37.0725 -1.8065 762183.4480 -19.0801 -19.0531 PRESSURE: 967000 -457.001 -53.8172 -20.7949 -53.8175 30.3354 202.523 -20.7957 202.524 -144.277 GPRESSURE: 967000 -353.809 -29.1813 16.3893 41.8411 -53.2261 177.558 -14.3195 211.257 -87.8244 PRESSAVG: 967000 24.0226 -17.6978 14.6867 -17.6978 -33.1612 30.1228 14.6868 30.1229 -14.994 GPRESSAVG: 967000 24.0135 -16.2275 14.4432 -18.2969 -33.3011 30.2219 16.2158 29.4448 -15.1101 TIMING: 967000 CPU: 3118.16, 0.00313947/step Wall: 3118.16, 0.00313947/step, 3.51708 hours remaining, 233.132812 MB of memory in use. ENERGY: 967000 4002.5835 20740.6515 14457.7106 258.1997 -203356.2851 2496.8762 0.0000 0.0000 52015.9281 -109384.3354 298.9363 -161400.2635 -109024.6642 299.8355 -190.3143 -164.9532 761545.9180 -8.0442 -8.1326 PRESSURE: 967200 -116.413 83.1614 -58.1174 83.1618 -63.7963 -48.6633 -58.1173 -48.6643 -111.303 GPRESSURE: 967200 0.525303 32.4644 -81.2611 147.004 -4.61808 70.3009 -94.5071 -78.5639 -198.412 PRESSAVG: 967200 -24.3947 -26.5711 36.5712 -26.5711 39.1724 77.9749 36.5712 77.9748 8.19608 GPRESSAVG: 967200 -24.573 -28.6504 37.804 -27.7086 39.131 78.9231 35.1731 78.7107 7.98919 TIMING: 967200 CPU: 3118.79, 0.0031524/step Wall: 3118.79, 0.0031524/step, 3.53138 hours remaining, 233.132812 MB of memory in use. ENERGY: 967200 3981.4723 20843.7995 14450.5969 243.7702 -203909.2746 2882.2826 0.0000 0.0000 52245.9326 -109261.4206 300.2581 -161507.3532 -108907.2637 299.9983 -97.1705 -67.5015 760377.6715 7.6579 7.5157 PRESSURE: 967400 -212.311 85.519 -141.211 85.5194 -334.821 158.005 -141.212 158.005 -491.532 GPRESSURE: 967400 -205.024 28.6773 -109.405 81.705 -282.273 109.138 47.5394 98.1317 -463.944 PRESSAVG: 967400 15.9536 24.0137 -12.8043 24.0137 8.31905 -5.5815 -12.8044 -5.58147 13.9651 GPRESSAVG: 967400 16.6328 25.7049 -13.7922 25.7628 8.55207 -7.00108 -11.6163 -6.87557 13.3427 TIMING: 967400 CPU: 3119.42, 0.00314252/step Wall: 3119.42, 0.00314252/step, 3.52015 hours remaining, 233.132812 MB of memory in use. ENERGY: 967400 4051.1138 20641.3072 14458.8991 247.4955 -203290.8286 2555.9624 0.0000 0.0000 52148.1049 -109187.9457 299.6959 -161336.0505 -108825.1716 300.4209 -346.2210 -317.0801 762308.1148 12.7459 12.8425 PRESSURE: 967600 -412.313 17.2154 84.9555 17.2156 -230.925 -112.682 84.9553 -112.683 -44.7082 GPRESSURE: 967600 -395.987 -34.8346 106.743 24.6831 -243.612 -100.3 -113.479 52.3701 44.4167 PRESSAVG: 967600 17.8971 24.6814 -15.6027 24.6814 -48.2881 -12.1045 -15.6027 -12.1045 -1.14825 GPRESSAVG: 967600 18.0408 23.9602 -17.234 25.4926 -48.9441 -11.9346 -15.644 -8.86671 -0.128918 TIMING: 967600 CPU: 3120.05, 0.00313629/step Wall: 3120.05, 0.00313629/step, 3.51299 hours remaining, 233.132812 MB of memory in use. ENERGY: 967600 3998.3822 20539.7144 14454.0708 250.5407 -203352.9173 2460.0264 0.0000 0.0000 52515.3872 -109134.7957 301.8067 -161650.1829 -108756.6412 300.0109 -229.3155 -198.3940 760044.6950 -10.5131 -10.3441 PRESSURE: 967800 308.222 -120.77 -196.812 -120.77 -152.352 -204.968 -196.81 -204.967 534.095 GPRESSURE: 967800 302.035 -125.24 -252.876 -210.15 -134.276 -215.755 -116.646 -82.6613 599.39 PRESSAVG: 967800 -10.3698 -29.4444 -28.7719 -29.4444 56.9098 36.6878 -28.772 36.6878 5.94171 GPRESSAVG: 967800 -11.6473 -30.316 -28.6203 -29.2602 57.8086 35.7591 -28.2312 34.6431 6.07363 TIMING: 967800 CPU: 3120.68, 0.00314903/step Wall: 3120.68, 0.00314903/step, 3.52709 hours remaining, 233.132812 MB of memory in use. ENERGY: 967800 4080.7565 20747.0244 14375.1290 239.5868 -203227.4028 2546.0967 0.0000 0.0000 51993.2232 -109245.5862 298.8058 -161238.8094 -108878.6778 299.8356 229.9886 255.7163 760975.6334 17.4939 17.4117 PRESSURE: 968000 -216.511 -64.4641 104.172 -64.4638 -270.856 37.6346 104.171 37.6353 -169.418 GPRESSURE: 968000 -173.769 -204.936 44.7589 46.0135 -266.464 20.8088 32.422 10.8046 -138.732 PRESSAVG: 968000 5.70695 -42.7487 5.70412 -42.7487 -42.7232 -62.0635 5.70422 -62.0635 -2.06795 GPRESSAVG: 968000 6.44788 -41.0187 5.17202 -43.0084 -43.4423 -62.639 5.98701 -61.4618 -1.773 TIMING: 968000 CPU: 3121.31, 0.00316902/step Wall: 3121.31, 0.00316902/step, 3.5493 hours remaining, 233.132812 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: 968000 4041.7204 20793.5752 14497.0969 243.8006 -203253.9495 2655.8342 0.0000 0.0000 51984.1901 -109037.7321 298.7539 -161021.9222 -108684.0361 300.3052 -218.9282 -192.9885 761553.7515 -13.0281 -12.9225 PRESSURE: 968200 -289.378 -241.931 89.4883 -241.93 -108.083 -52.112 89.4885 -52.1118 -152.443 GPRESSURE: 968200 -310.981 -206.123 48.4334 -297.705 -28.5763 -104.901 67.5854 -81.1925 -123.378 PRESSAVG: 968200 5.3605 -21.4167 40.5875 -21.4167 -38.0141 -50.8237 40.5876 -50.8237 2.63121 GPRESSAVG: 968200 5.46767 -20.5487 42.4349 -22.6641 -36.9989 -48.6019 39.6533 -50.7284 1.39486 TIMING: 968200 CPU: 3121.94, 0.00314563/step Wall: 3121.94, 0.00314563/step, 3.52293 hours remaining, 233.132812 MB of memory in use. ENERGY: 968200 3970.4863 20506.1255 14472.4365 250.4934 -203147.0163 2449.7625 0.0000 0.0000 52236.5074 -109261.2047 300.2039 -161497.7121 -108887.1995 300.0294 -183.3013 -154.3121 762180.1601 -10.0075 -10.0455 LDB: ============= START OF LOAD BALANCING ============== 3134.36 LDB: ============== END OF LOAD BALANCING =============== 3134.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3134.36 LDB: ============= START OF LOAD BALANCING ============== 3134.68 LDB: Largest compute 7024 load 0.034679 is 17.7% of average load 0.195649 LDB: Average compute 0.004398 is 2.2% of average load 0.195649 LDB: TIME 3134.68 LOAD: AVG 0.195649 MAX 0.212713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.285 MB LDB: TIME 3134.68 LOAD: AVG 0.195649 MAX 0.212713 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: TIME 3134.68 LOAD: AVG 0.195649 MAX 0.212713 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: ============== END OF LOAD BALANCING =============== 3134.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3134.69 PRESSURE: 968400 -326.93 -5.601 -17.0331 -5.60159 51.9682 -162.824 -17.0339 -162.823 20.8351 GPRESSURE: 968400 -308.732 -83.3208 -34.2438 -18.3585 41.687 -169.701 33.0999 -105.899 104.216 PRESSAVG: 968400 -31.0911 -49.279 -28.2933 -49.279 36.939 -10.8973 -28.2933 -10.8973 -3.84763 GPRESSAVG: 968400 -31.5055 -49.1645 -28.5816 -48.0073 35.2475 -13.4493 -29.2642 -9.66415 -2.27717 TIMING: 968400 CPU: 3122.58, 0.00321288/step Wall: 3122.58, 0.00321288/step, 3.59807 hours remaining, 230.996094 MB of memory in use. ENERGY: 968400 4066.2063 20598.8338 14399.5099 250.5969 -203248.4745 2342.1009 0.0000 0.0000 52339.2660 -109251.9607 300.7945 -161591.2267 -108881.9444 300.0970 -84.7090 -54.2764 761008.5051 0.6667 0.4883 PRESSURE: 968600 -236.756 -222.674 -62.0486 -222.676 113.295 90.0879 -62.0493 90.0887 -87.9668 GPRESSURE: 968600 -195.035 -205.044 -66.9985 -244.812 165.767 79.4735 55.7704 139.87 -122.399 PRESSAVG: 968600 -31.0287 -21.964 -62.8552 -21.964 14.4491 5.31969 -62.8553 5.3197 7.53748 GPRESSAVG: 968600 -32.2762 -22.8107 -62.8481 -21.6285 16.0312 6.66885 -60.5396 3.45071 7.70073 TIMING: 968600 CPU: 3123.21, 0.00314499/step Wall: 3123.21, 0.00314499/step, 3.52187 hours remaining, 230.996094 MB of memory in use. ENERGY: 968600 3954.4642 20921.5946 14405.5246 237.5016 -203126.8496 2259.8057 0.0000 0.0000 52129.9917 -109217.9673 299.5918 -161347.9590 -108860.9562 299.6257 -70.4762 -50.5557 760624.7532 -3.0140 -2.8481 PRESSURE: 968800 74.4479 -179.271 22.0614 -179.27 -182.892 1.37938 22.0615 1.38 -12.9786 GPRESSURE: 968800 63.2778 -142.264 -1.02228 -73.4093 -110.745 37.0683 58.4817 99.2096 25.6872 PRESSAVG: 968800 -13.0807 -23.1515 -23.825 -23.1516 9.9853 -23.3546 -23.825 -23.3547 2.4265 GPRESSAVG: 968800 -11.4644 -23.3493 -22.7803 -23.264 9.27828 -22.8898 -23.8369 -22.7888 2.29084 TIMING: 968800 CPU: 3123.84, 0.00313957/step Wall: 3123.84, 0.00313957/step, 3.51562 hours remaining, 231.269531 MB of memory in use. ENERGY: 968800 3990.3267 20730.4048 14372.0913 254.5894 -203086.9498 2248.6672 0.0000 0.0000 52245.4176 -109245.4528 300.2551 -161490.8704 -108875.0157 300.1047 -40.4742 -7.2599 759496.0857 -0.2230 0.0349 PRESSURE: 969000 -75.7391 92.4219 97.7128 92.4224 -182.906 -9.6146 97.7125 -9.61503 102.48 GPRESSURE: 969000 -26.3879 61.3578 55.6924 133.068 -170.796 38.0894 -38.4997 -65.3186 126.647 PRESSAVG: 969000 -29.4507 -59.0541 -21.6355 -59.054 -10.0179 3.54479 -21.6355 3.54479 -18.63 GPRESSAVG: 969000 -27.8803 -60.1859 -22.8925 -56.5726 -10.1724 4.4199 -23.0316 3.99296 -20.2383 TIMING: 969000 CPU: 3124.47, 0.00314897/step Wall: 3124.47, 0.00314897/step, 3.52597 hours remaining, 231.269531 MB of memory in use. ENERGY: 969000 3959.0770 20638.1406 14394.7954 258.0906 -203343.7900 2666.7754 0.0000 0.0000 52130.1886 -109296.7224 299.5929 -161426.9109 -108931.5286 300.1757 -52.0552 -23.5123 761215.7278 -19.3662 -19.4303 PRESSURE: 969200 -291.262 -178.634 -202.094 -178.634 -115.768 407.485 -202.094 407.486 -35.0926 GPRESSURE: 969200 -206.1 -301.524 -197.741 -168.884 -179.407 353.173 -226.885 435.448 37.7682 PRESSAVG: 969200 -27.6061 7.2669 -5.17161 7.26693 -0.219912 26.619 -5.17161 26.6189 -2.92177 GPRESSAVG: 969200 -28.9948 6.57126 -5.92784 4.68738 -0.273756 25.9799 -2.36414 25.9941 -1.93215 TIMING: 969200 CPU: 3125.1, 0.00314546/step Wall: 3125.1, 0.00314546/step, 3.52187 hours remaining, 231.269531 MB of memory in use. ENERGY: 969200 3990.5419 20528.0091 14433.8511 258.1516 -203157.6137 2437.2925 0.0000 0.0000 52251.7545 -109258.0129 300.2916 -161509.7675 -108886.6885 299.8850 -147.3744 -115.9130 761320.2102 -10.2493 -10.4002 PRESSURE: 969400 -209.028 -15.9622 148.496 -15.9619 -125.166 -65.0712 148.496 -65.0711 117.513 GPRESSURE: 969400 -115.536 75.3232 88.8748 74.9588 -151.838 -93.3162 122.011 61.5298 127.962 PRESSAVG: 969400 23.4595 -61.759 -1.75208 -61.759 -19.4367 -1.6619 -1.75215 -1.66192 -6.70309 GPRESSAVG: 969400 24.1525 -60.2857 0.855607 -60.5891 -19.9217 -3.08953 -2.52487 0.059156 -7.08338 TIMING: 969400 CPU: 3125.72, 0.0031355/step Wall: 3125.72, 0.0031355/step, 3.51055 hours remaining, 231.269531 MB of memory in use. ENERGY: 969400 4008.7868 20571.7605 14434.0019 227.5442 -203780.4791 2604.7684 0.0000 0.0000 52080.1751 -109853.4422 299.3055 -161933.6173 -109490.8063 299.6082 -72.2268 -46.4708 759592.6397 -0.8934 -0.9509 PRESSURE: 969600 -424.093 -48.7864 1.52155 -48.7867 -213.2 -80.9772 1.52228 -80.9783 -457.352 GPRESSURE: 969600 -418.122 -107.963 -34.8008 -48.1083 -159.113 -103.837 50.0599 -85.3305 -440.305 PRESSAVG: 969600 70.1027 -69.009 2.57713 -69.0091 -60.1636 -3.18694 2.57714 -3.18691 -24.7371 GPRESSAVG: 969600 68.872 -71.0993 0.104799 -69.6028 -57.7248 -1.67383 1.30367 -5.43353 -25.1873 TIMING: 969600 CPU: 3126.35, 0.00313552/step Wall: 3126.35, 0.00313552/step, 3.51039 hours remaining, 231.269531 MB of memory in use. ENERGY: 969600 3996.8404 20594.8027 14448.8310 252.7488 -203497.3477 2380.2400 0.0000 0.0000 52061.4353 -109762.4495 299.1978 -161823.8848 -109404.1451 298.6784 -364.8818 -339.1801 760872.3389 -4.9327 -4.6800 PRESSURE: 969800 -75.3345 -175.76 -208.101 -175.76 -138.168 -182.885 -208.102 -182.886 -91.7182 GPRESSURE: 969800 -16.8682 -182.643 -271.851 -117.332 -127.457 -157.165 -133.673 -99.6486 -78.3577 PRESSAVG: 969800 8.4332 -52.38 18.6239 -52.38 -17.5694 -8.82509 18.6239 -8.82519 -6.32806 GPRESSAVG: 969800 10.4335 -50.2878 20.0751 -52.6413 -18.6038 -9.11594 17.0178 -7.4964 -7.25734 TIMING: 969800 CPU: 3126.98, 0.00314451/step Wall: 3126.98, 0.00314451/step, 3.52028 hours remaining, 231.269531 MB of memory in use. ENERGY: 969800 3970.2596 20768.8527 14423.6955 226.8598 -203555.8003 2370.5369 0.0000 0.0000 52118.3512 -109677.2445 299.5249 -161795.5957 -109312.4573 299.0190 -101.7404 -74.2276 759557.8746 -5.1548 -5.1425 PRESSURE: 970000 62.4067 -101.832 32.6567 -101.833 -319.955 -107.223 32.657 -107.223 29.2048 GPRESSURE: 970000 60.9378 -118.395 62.2302 -234.863 -241.903 -137.098 118.74 -124.067 32.8226 PRESSAVG: 970000 31.7788 -47.5991 -16.2044 -47.5991 -36.9567 -9.116 -16.2044 -9.11599 19.6898 GPRESSAVG: 970000 30.0043 -47.3158 -16.0017 -48.7695 -37.7597 -9.96559 -13.6542 -9.06308 22.084 TIMING: 970000 CPU: 3127.6, 0.00312453/step Wall: 3127.6, 0.00312453/step, 3.49774 hours remaining, 231.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 970000 4003.2904 20540.5384 14469.9794 221.2667 -203727.1775 2736.4634 0.0000 0.0000 52134.2768 -109621.3625 299.6164 -161755.6393 -109257.3853 299.3928 -76.1144 -49.3809 762029.9128 4.8373 4.7762 PRESSURE: 970200 102.006 107.309 -118.2 107.309 -114.63 139.294 -118.201 139.294 -84.4907 GPRESSURE: 970200 240.998 103.621 -134.797 108.024 -118.681 40.3276 -159.572 57.8207 -133.603 PRESSAVG: 970200 41.9419 -85.06 -32.9747 -85.0601 -4.79393 -27.7604 -32.9747 -27.7604 -12.6655 GPRESSAVG: 970200 44.4665 -86.0502 -33.5968 -85.9452 -5.40442 -27.2431 -35.377 -28.6071 -14.0254 TIMING: 970200 CPU: 3128.23, 0.00312968/step Wall: 3128.23, 0.00312968/step, 3.50333 hours remaining, 231.269531 MB of memory in use. ENERGY: 970200 3889.7245 20484.9850 14463.9816 231.7521 -203631.4577 2760.3831 0.0000 0.0000 52279.4766 -109521.1549 300.4509 -161800.6315 -109156.9109 299.6461 -32.3716 -3.7619 760108.0358 8.1608 8.3456 PRESSURE: 970400 -173.255 -26.2598 -320.403 -26.2609 -67.9927 -43.6858 -320.403 -43.6852 6.41183 GPRESSURE: 970400 -200.913 -11.8577 -327.598 3.46348 -15.7837 -47.0196 -220.176 -64.3555 60.2458 PRESSAVG: 970400 2.52228 -57.6153 -29.1426 -57.6153 -39.4422 4.04671 -29.1426 4.04666 31.5242 GPRESSAVG: 970400 -0.663689 -56.8023 -28.9805 -54.7798 -38.4161 4.89853 -27.4639 3.12208 33.056 TIMING: 970400 CPU: 3128.86, 0.00314428/step Wall: 3128.86, 0.00314428/step, 3.5195 hours remaining, 231.269531 MB of memory in use. ENERGY: 970400 4037.6615 20667.3835 14403.7868 246.1413 -203453.0510 2453.1849 0.0000 0.0000 52282.5890 -109362.3039 300.4688 -161644.8929 -109011.9282 300.2700 -78.2788 -52.1502 761206.4617 -1.7986 -2.0079 PRESSURE: 970600 -141.17 -56.677 219.462 -56.6771 247.221 115.515 219.461 115.515 -87.4096 GPRESSURE: 970600 -72.5314 -74.514 98.6428 13.3807 225.425 73.6546 219.32 138.125 -59.2149 PRESSAVG: 970600 53.5779 -33.5085 8.59437 -33.5084 -25.4068 -9.53876 8.59437 -9.53875 8.8163 GPRESSAVG: 970600 55.3564 -33.5427 7.55672 -33.9716 -25.4931 -10.1494 8.66064 -8.68089 6.9344 TIMING: 970600 CPU: 3129.49, 0.00316111/step Wall: 3129.49, 0.00316111/step, 3.53816 hours remaining, 231.269531 MB of memory in use. ENERGY: 970600 4070.7928 20718.9205 14491.2799 265.9998 -203452.7312 2554.9106 0.0000 0.0000 51749.0269 -109601.8008 297.4024 -161350.8277 -109237.4489 299.2948 6.2138 31.2264 760614.0994 12.3291 12.2659 PRESSURE: 970800 203.57 -88.4089 34.2457 -88.4089 233.659 258.946 34.2452 258.947 -219.399 GPRESSURE: 970800 173.168 -64.797 49.0806 -74.374 287.498 193.06 97.6317 203.091 -160.597 PRESSAVG: 970800 40.3577 -88.1878 -16.5306 -88.1878 -6.00369 29.6892 -16.5307 29.6892 -7.58283 GPRESSAVG: 970800 38.2526 -90.4024 -16.2805 -86.6086 -5.40981 30.7736 -16.796 28.6334 -5.74268 TIMING: 970800 CPU: 3130.12, 0.00316158/step Wall: 3130.12, 0.00316158/step, 3.53851 hours remaining, 231.269531 MB of memory in use. ENERGY: 970800 3983.6672 20649.2140 14508.4246 255.0364 -204006.5732 2798.2634 0.0000 0.0000 52095.9059 -109716.0617 299.3959 -161811.9676 -109345.9879 299.3559 72.6100 100.0228 759529.5818 8.9237 9.0334 PRESSURE: 971000 -402.584 -220.117 31.0074 -220.117 -469.1 55.7938 31.0076 55.7932 -453.747 GPRESSURE: 971000 -347.589 -168.439 122.243 -186.55 -503.212 105.171 -37.8251 -57.5642 -387.545 PRESSAVG: 971000 -1.72658 -105.99 53.8896 -105.989 -15.4333 -0.484363 53.8897 -0.484365 2.45631 GPRESSAVG: 971000 -0.39083 -101.626 54.6567 -108.388 -15.9486 -1.14594 52.7969 -1.48851 1.43533 TIMING: 971000 CPU: 3130.76, 0.00317898/step Wall: 3130.76, 0.00317898/step, 3.55781 hours remaining, 231.269531 MB of memory in use. ENERGY: 971000 4011.6269 20525.1226 14490.4711 244.0992 -203643.6747 2577.9243 0.0000 0.0000 52144.6235 -109649.8072 299.6759 -161794.4307 -109275.9403 299.1847 -441.8103 -412.7818 763724.3313 -4.9012 -4.9680 PRESSURE: 971200 -112.68 -123.803 -174.224 -123.802 -1.45224 -37.2336 -174.224 -37.2339 2.62896 GPRESSURE: 971200 -74.1523 -8.37626 -189.076 -128.754 -2.4077 -29.8994 -284.49 -41.2301 52.4892 PRESSAVG: 971200 -5.06236 -156.256 -9.4143 -156.256 -50.0951 -29.999 -9.4143 -29.9991 13.2372 GPRESSAVG: 971200 -4.31055 -157.036 -9.5911 -155.923 -51.4314 -29.0443 -9.60685 -28.9435 13.6542 TIMING: 971200 CPU: 3131.39, 0.00316068/step Wall: 3131.39, 0.00316068/step, 3.53715 hours remaining, 231.269531 MB of memory in use. ENERGY: 971200 4014.3609 20629.3180 14461.2732 230.4449 -203654.0674 2568.7020 0.0000 0.0000 52112.7252 -109637.2433 299.4925 -161749.9684 -109282.2289 298.8061 -37.1676 -8.0236 761112.5362 -13.9734 -14.0293 PRESSURE: 971400 -133.34 75.2771 44.1285 75.2771 -136.782 131.61 44.1282 131.61 338.307 GPRESSURE: 971400 -172.483 -18.3966 70.9327 73.5359 -11.6251 155.443 -27.4879 -4.08574 338.358 PRESSAVG: 971400 2.25314 -125.08 -8.17441 -125.08 14.0679 -28.574 -8.17444 -28.5739 9.58585 GPRESSAVG: 971400 2.15577 -125.13 -7.76511 -124.856 14.0682 -30.373 -7.81084 -27.7313 9.37745 TIMING: 971400 CPU: 3132.02, 0.003159/step Wall: 3132.02, 0.003159/step, 3.5351 hours remaining, 231.269531 MB of memory in use. ENERGY: 971400 3965.5529 20435.7104 14419.3828 237.6773 -202941.4125 2168.7583 0.0000 0.0000 52056.2484 -109658.0825 299.1680 -161714.3309 -109286.0527 298.8524 22.7283 51.4165 760000.4465 8.6356 8.5338 PRESSURE: 971600 -194.449 81.0103 136.099 81.0105 225.75 -189.821 136.099 -189.82 -7.48682 GPRESSURE: 971600 -163.306 11.9653 166.622 142.907 285.54 -174.212 20.8568 -112.268 -20.1068 PRESSAVG: 971600 -15.7633 -92.2683 -12.1473 -92.2683 -11.1846 9.48043 -12.1473 9.48038 15.2358 GPRESSAVG: 971600 -16.1301 -93.32 -10.9339 -90.7151 -10.1984 10.594 -12.4711 8.37615 15.2496 TIMING: 971600 CPU: 3132.65, 0.00315315/step Wall: 3132.65, 0.00315315/step, 3.52837 hours remaining, 231.269531 MB of memory in use. ENERGY: 971600 4009.2680 20600.9011 14399.8583 248.3725 -203566.2217 2703.0985 0.0000 0.0000 52227.9484 -109376.7750 300.1547 -161604.7233 -109019.5438 299.5678 7.9380 34.0423 760018.5064 -3.9040 -3.6929 PRESSURE: 971800 186.435 -211.397 -118.502 -211.397 186.694 55.1273 -118.502 55.1277 298.887 GPRESSURE: 971800 252.667 -206.841 -6.38783 -183.668 86.3442 107.61 -6.87057 35.2225 409.706 PRESSAVG: 971800 0.350158 -30.8606 18.8601 -30.8606 41.6486 -50.1633 18.8601 -50.1633 -5.66284 GPRESSAVG: 971800 1.00464 -29.725 18.7253 -32.192 40.336 -51.4363 20.2833 -48.2483 -4.01277 TIMING: 971800 CPU: 3133.28, 0.00314803/step Wall: 3133.28, 0.00314803/step, 3.52247 hours remaining, 231.269531 MB of memory in use. ENERGY: 971800 3956.8453 20650.9109 14454.3837 233.1433 -203171.2726 2473.9934 0.0000 0.0000 52210.6896 -109191.3064 300.0556 -161401.9959 -108823.3789 299.4889 224.0054 249.5724 758654.7160 12.1120 12.4426 PRESSURE: 972000 -319.599 -89.6354 57.3614 -89.6346 -186.53 -176.306 57.3601 -176.306 72.8257 GPRESSURE: 972000 -202.424 85.7199 -5.28419 -14.5794 -205.694 -101.324 54.9243 -240.206 54.2569 PRESSAVG: 972000 -53.3986 -65.5795 -47.3968 -65.5796 44.9861 -38.2368 -47.3968 -38.2367 1.18673 GPRESSAVG: 972000 -52.7761 -65.6139 -47.7872 -64.7189 45.0658 -38.6091 -46.5403 -38.0878 0.181408 TIMING: 972000 CPU: 3133.91, 0.00314459/step Wall: 3133.91, 0.00314459/step, 3.51845 hours remaining, 231.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 972000 3956.2322 20540.4968 14460.7383 247.5009 -203464.0173 2442.8391 0.0000 0.0000 52315.7782 -109500.4318 300.6595 -161816.2100 -109116.3634 299.5475 -144.4345 -117.9538 762001.1675 -2.4086 -2.5096 PRESSURE: 972200 -164.661 -161.125 33.3358 -161.124 48.7846 -281.279 33.3362 -281.279 -296.392 GPRESSURE: 972200 -215.626 -219.51 113.27 -81.8014 133.812 -266.512 -95.3779 -230.984 -242.222 PRESSAVG: 972200 -43.2521 -30.3943 53.1646 -30.3943 84.7141 -6.70788 53.1646 -6.70796 2.9266 GPRESSAVG: 972200 -43.8786 -29.129 52.8857 -31.5755 85.2467 -4.29633 52.1132 -10.3739 2.84862 TIMING: 972200 CPU: 3134.54, 0.00314209/step Wall: 3134.54, 0.00314209/step, 3.51548 hours remaining, 231.269531 MB of memory in use. ENERGY: 972200 4080.0135 20547.2725 14488.4595 262.4512 -203427.6879 2279.6298 0.0000 0.0000 52157.0820 -109612.7793 299.7475 -161769.8613 -109254.4617 299.5525 -137.4227 -108.0120 759765.3950 14.7962 14.7389 LDB: ============= START OF LOAD BALANCING ============== 3146.96 LDB: ============== END OF LOAD BALANCING =============== 3146.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3146.96 LDB: ============= START OF LOAD BALANCING ============== 3147.28 LDB: Largest compute 7075 load 0.034861 is 17.8% of average load 0.195573 LDB: Average compute 0.004415 is 2.3% of average load 0.195573 LDB: TIME 3147.29 LOAD: AVG 0.195573 MAX 0.215813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.996 MB LDB: TIME 3147.29 LOAD: AVG 0.195573 MAX 0.215813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231 MB LDB: TIME 3147.29 LOAD: AVG 0.195573 MAX 0.215813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231 MB LDB: ============== END OF LOAD BALANCING =============== 3147.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3147.3 PRESSURE: 972400 -49.1107 -176.449 -113.909 -176.448 -271.646 6.99251 -113.909 6.99282 226.562 GPRESSURE: 972400 97.7633 -265.628 -101.819 -142.54 -267.514 38.6925 -93.2858 -35.044 171.574 PRESSAVG: 972400 -18.6697 -48.5932 -21.1428 -48.5932 28.0671 -22.1488 -21.1428 -22.1487 5.75057 GPRESSAVG: 972400 -16.9529 -50.8327 -21.2679 -47.9043 27.4722 -21.7258 -21.218 -20.1773 5.00561 TIMING: 972400 CPU: 3135.19, 0.00324062/step Wall: 3135.19, 0.00324062/step, 3.62553 hours remaining, 232.792969 MB of memory in use. ENERGY: 972400 4074.5701 20652.7286 14522.1143 223.0036 -203346.2258 2275.7608 0.0000 0.0000 52127.6067 -109470.4419 299.5781 -161598.0485 -109112.0665 299.4415 -31.3985 0.6078 759524.6927 5.0493 5.1750 PRESSURE: 972600 -213.751 -105.729 178.754 -105.73 -63.5409 62.9097 178.754 62.9083 439.738 GPRESSURE: 972600 -48.488 -47.4358 185.506 -162.464 -103.471 91.054 283.677 28.2559 402.393 PRESSAVG: 972600 8.62253 -38.7652 -48.2108 -38.7651 26.9651 55.4494 -48.2108 55.4494 -5.05358 GPRESSAVG: 972600 8.50077 -37.9437 -48.7506 -39.2885 27.4601 53.285 -47.3548 55.6257 -4.76472 TIMING: 972600 CPU: 3135.82, 0.00316074/step Wall: 3135.82, 0.00316074/step, 3.53599 hours remaining, 232.996094 MB of memory in use. ENERGY: 972600 3995.7315 20695.5154 14473.6092 244.2758 -203568.6313 2554.8782 0.0000 0.0000 52103.7555 -109500.8656 299.4410 -161604.6211 -109142.7061 299.7447 54.1485 83.4782 759044.5259 10.1780 10.3987 PRESSURE: 972800 -87.2323 95.5837 -292.957 95.5846 98.2985 -246.121 -292.957 -246.121 -108.116 GPRESSURE: 972800 -64.2377 -1.34879 -203.579 58.1754 133.913 -275.622 -102.877 -174.208 -123.992 PRESSAVG: 972800 -51.9184 -65.5049 -13.9312 -65.5049 40.7861 16.7304 -13.9313 16.7304 -7.11671 GPRESSAVG: 972800 -52.8165 -65.8287 -13.374 -65.813 41.6152 17.8967 -12.1209 17.0001 -7.30157 TIMING: 972800 CPU: 3136.45, 0.00315274/step Wall: 3136.45, 0.00315274/step, 3.52687 hours remaining, 232.996094 MB of memory in use. ENERGY: 972800 3999.3931 20663.3601 14475.9676 237.1809 -203698.2121 2490.9014 0.0000 0.0000 52402.0469 -109429.3620 301.1553 -161831.4089 -109067.5597 299.7187 -32.3500 -18.1053 760427.8070 -6.0830 -6.1676 PRESSURE: 973000 -322.28 -132.608 105.266 -132.608 129.663 -13.2873 105.266 -13.2875 -384.905 GPRESSURE: 973000 -213.137 -43.5767 73.5339 -105.22 72.6864 -63.4224 29.758 87.0849 -352.749 PRESSAVG: 973000 -13.0204 -32.2329 -51.1778 -32.2329 -5.80645 -45.7986 -51.1779 -45.7986 7.81044 GPRESSAVG: 973000 -12.2359 -32.1615 -51.4982 -30.1019 -6.49878 -46.2873 -52.8807 -44.0669 7.6636 TIMING: 973000 CPU: 3137.08, 0.00314608/step Wall: 3137.08, 0.00314608/step, 3.51923 hours remaining, 232.996094 MB of memory in use. ENERGY: 973000 4011.5563 20547.9929 14548.3620 251.9960 -203171.8626 2285.9072 0.0000 0.0000 51978.9156 -109547.1327 298.7235 -161526.0483 -109181.8359 299.6769 -192.5075 -164.3998 762631.3033 -3.6721 -3.6903 PRESSURE: 973200 136.763 -70.7735 -283.788 -70.773 -235.597 8.85649 -283.788 8.85676 89.4136 GPRESSURE: 973200 142.46 -73.6554 -126.944 -45.9833 -108.844 87.3582 -163.704 48.9477 27.5635 PRESSAVG: 973200 -45.2136 -52.203 40.9002 -52.203 39.2009 0.347158 40.9002 0.347153 7.66896 GPRESSAVG: 973200 -45.7653 -51.0892 41.6491 -54.7088 39.7839 -0.768557 41.8326 -0.474341 7.42686 TIMING: 973200 CPU: 3137.71, 0.00315769/step Wall: 3137.71, 0.00315769/step, 3.53205 hours remaining, 232.996094 MB of memory in use. ENERGY: 973200 3987.3543 20525.6791 14484.1022 248.7545 -203504.0439 2646.8257 0.0000 0.0000 51989.5475 -109621.7806 298.7846 -161611.3281 -109258.1645 299.3415 -3.1401 20.3930 760315.8915 0.5521 0.4818 PRESSURE: 973400 -20.4712 -83.3608 -116.445 -83.3604 93.5855 109.674 -116.445 109.672 419.309 GPRESSURE: 973400 22.0469 -190.063 -110.21 -0.589582 134.581 101.938 -214.341 36.5659 427.057 PRESSAVG: 973400 26.1473 -73.3726 36.3099 -73.3726 13.0239 58.3259 36.3099 58.3259 -0.729115 GPRESSAVG: 973400 25.8395 -75.4551 34.4814 -72.4704 13.0288 60.3974 35.5108 58.3191 -0.433175 TIMING: 973400 CPU: 3138.34, 0.00315751/step Wall: 3138.34, 0.00315751/step, 3.53168 hours remaining, 232.996094 MB of memory in use. ENERGY: 973400 3952.6418 20601.1742 14420.5061 253.3357 -203760.7614 2758.1553 0.0000 0.0000 52182.1484 -109592.7998 299.8915 -161774.9482 -109230.9238 299.4139 164.1410 194.5616 760168.3706 12.8140 12.8117 PRESSURE: 973600 -26.6711 38.3889 -55.3922 38.3886 -99.4931 30.4277 -55.393 30.4272 -62.2177 GPRESSURE: 973600 -59.0826 114.021 -52.5465 -26.9779 -59.5084 -1.71141 -89.873 181.243 -3.3825 PRESSAVG: 973600 -9.56614 -22.2196 20.7655 -22.2196 -33.4767 24.6409 20.7655 24.641 8.16673 GPRESSAVG: 973600 -9.24786 -19.584 20.7204 -23.5888 -33.3674 24.409 21.6243 25.6032 8.10048 TIMING: 973600 CPU: 3138.97, 0.00314704/step Wall: 3138.97, 0.00314704/step, 3.51979 hours remaining, 232.996094 MB of memory in use. ENERGY: 973600 4024.3759 20420.2171 14428.1270 252.7938 -203554.4959 2775.1798 0.0000 0.0000 51880.9252 -109772.8772 298.1604 -161653.8024 -109415.3244 299.2081 -62.7940 -40.6578 761490.1762 -11.6254 -11.5049 PRESSURE: 973800 -225.681 -26.2484 -134.852 -26.248 -273.057 -106.881 -134.851 -106.882 -192.175 GPRESSURE: 973800 -215.615 6.05981 -77.6585 43.2363 -225.976 -51.1479 -61.7018 -108.29 -159.12 PRESSAVG: 973800 3.29977 -27.733 -15.2632 -27.733 -3.77821 30.5148 -15.2632 30.5148 5.41741 GPRESSAVG: 973800 2.90148 -30.3725 -13.0362 -25.7519 -4.26693 29.1923 -18.8948 29.2309 6.14664 TIMING: 973800 CPU: 3139.61, 0.00317094/step Wall: 3139.61, 0.00317094/step, 3.54634 hours remaining, 232.996094 MB of memory in use. ENERGY: 973800 3922.8334 20728.1780 14450.5793 246.1170 -203578.6577 2362.0098 0.0000 0.0000 52095.4215 -109773.5186 299.3931 -161868.9401 -109417.7359 299.0445 -230.3043 -200.2370 760357.2026 1.6463 1.5937 PRESSURE: 974000 -378.598 -70.2674 -111.449 -70.2677 -21.0128 -256.217 -111.45 -256.218 -719.71 GPRESSURE: 974000 -261.485 28.3091 -144.149 -22.2774 -103.638 -223.861 -40.1064 -313.958 -667.868 PRESSAVG: 974000 -5.07781 -27.075 -24.6568 -27.075 -68.3614 -1.63081 -24.6568 -1.63082 13.5769 GPRESSAVG: 974000 -3.06998 -24.7678 -26.1459 -28.6751 -69.7903 -1.65452 -21.2477 -1.36137 13.4531 TIMING: 974000 CPU: 3140.24, 0.00315426/step Wall: 3140.24, 0.00315426/step, 3.52751 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 974000 4024.0870 20683.6265 14419.6415 257.4021 -203421.3238 2486.9588 0.0000 0.0000 51633.4536 -109916.1541 296.7382 -161549.6078 -109569.5960 298.7972 -373.1068 -344.3300 760516.9942 -19.9541 -19.8024 PRESSURE: 974200 -224.006 -75.3492 157.26 -75.3489 -49.2582 -60.077 157.261 -60.0771 -152.251 GPRESSURE: 974200 -171.091 -130.954 198.797 -185.084 0.437184 -0.215385 -1.15661 59.2294 -168.704 PRESSAVG: 974200 -29.616 -38.4007 55.1545 -38.4008 10.9261 -30.923 55.1545 -30.9229 13.4731 GPRESSAVG: 974200 -30.6231 -38.5709 54.6971 -38.2859 13.2604 -30.8738 53.6683 -29.1777 11.9256 TIMING: 974200 CPU: 3140.87, 0.00314415/step Wall: 3140.87, 0.00314414/step, 3.51603 hours remaining, 232.996094 MB of memory in use. ENERGY: 974200 3930.4002 20493.4393 14465.1192 243.3347 -203309.5170 2098.2894 0.0000 0.0000 52078.8910 -110000.0432 299.2981 -162078.9342 -109645.4676 298.4870 -141.8382 -113.1191 760389.6094 -1.7390 -1.8124 PRESSURE: 974400 293.568 -100.186 47.9667 -100.187 93.353 128.875 47.9655 128.875 104.389 GPRESSURE: 974400 292.505 -32.4748 94.1055 -72.0977 167.254 58.193 72.6861 87.2454 93.3978 PRESSAVG: 974400 4.44789 -43.7526 -18.1551 -43.7526 -8.53609 -3.45414 -18.1551 -3.45416 -24.1104 GPRESSAVG: 974400 4.19677 -44.747 -16.6822 -42.3878 -10.4001 -2.20191 -19.9445 -4.4222 -22.3804 TIMING: 974400 CPU: 3141.5, 0.00318242/step Wall: 3141.5, 0.00318242/step, 3.55865 hours remaining, 232.996094 MB of memory in use. ENERGY: 974400 3981.9812 20443.4419 14482.7619 261.9439 -203710.2687 2438.1204 0.0000 0.0000 52043.8117 -110058.2076 299.0965 -162102.0193 -109696.3187 298.4044 163.7701 184.3855 758865.9500 -9.3995 -9.5279 PRESSURE: 974600 -470.238 -274.567 174.343 -274.567 -29.7704 71.1294 174.343 71.1294 -434.117 GPRESSURE: 974600 -357.338 -117.847 145.309 -250.415 -37.3627 -0.18375 138.319 -237.44 -455.433 PRESSAVG: 974600 33.8136 -72.8045 5.36587 -72.8045 -59.6038 41.3835 5.36596 41.3835 11.3861 GPRESSAVG: 974600 33.4238 -70.4445 3.41034 -74.1033 -58.3568 40.3678 6.74073 39.0005 10.4188 TIMING: 974600 CPU: 3142.14, 0.00316091/step Wall: 3142.14, 0.00316091/step, 3.53443 hours remaining, 232.996094 MB of memory in use. ENERGY: 974600 4007.1703 20548.9349 14402.2135 250.3404 -203785.4024 2548.3855 0.0000 0.0000 51708.3731 -110319.9847 297.1687 -162028.3578 -109955.6409 298.0153 -311.3751 -283.3781 761005.3023 -4.8014 -4.8381 PRESSURE: 974800 -4.08627 139.375 116.06 139.376 55.4763 -109.846 116.061 -109.847 -295.056 GPRESSURE: 974800 83.6502 112.209 66.7091 188.526 24.4424 -103.273 128.645 -51.5947 -273.135 PRESSAVG: 974800 51.6676 -40.512 20.14 -40.5119 -11.2516 13.5524 20.1401 13.5524 -6.96446 GPRESSAVG: 974800 52.4028 -42.3952 21.802 -37.579 -12.2701 14.7907 20.5203 13.5108 -6.60158 TIMING: 974800 CPU: 3142.77, 0.00315767/step Wall: 3142.77, 0.00315767/step, 3.53063 hours remaining, 232.996094 MB of memory in use. ENERGY: 974800 4010.3537 20574.9188 14508.9472 229.7382 -203860.9046 2710.5022 0.0000 0.0000 51760.8417 -110065.6028 297.4703 -161826.4445 -109716.8696 298.0121 -81.2219 -55.0140 760468.5380 11.1505 11.1770 PRESSURE: 975000 61.981 192.569 104.883 192.57 -7.68565 35.1919 104.882 35.1906 49.5632 GPRESSURE: 975000 57.9232 70.5711 74.3517 184.095 -9.97558 53.9487 54.9636 171.398 148.541 PRESSAVG: 975000 -22.5922 -58.2542 30.3691 -58.2542 52.8651 44.7474 30.3691 44.7473 40.027 GPRESSAVG: 975000 -23.7748 -59.6695 30.4231 -60.4374 53.4149 44.1463 29.3809 48.2251 39.6797 TIMING: 975000 CPU: 3143.4, 0.00316572/step Wall: 3143.4, 0.00316572/step, 3.53946 hours remaining, 232.996094 MB of memory in use. ENERGY: 975000 3970.0390 20627.1355 14518.5513 241.2383 -203781.7193 2663.7154 0.0000 0.0000 51845.8901 -109915.1497 297.9590 -161761.0398 -109550.4411 298.2943 34.6195 65.4961 758258.7984 23.4333 23.1066 PRESSURE: 975200 228.345 -132.191 -52.89 -132.191 195.669 -120.422 -52.8905 -120.421 -120.645 GPRESSURE: 975200 277.249 -156.633 -75.0661 -100.075 240.007 -71.0466 -16.7677 -56.9003 -119.778 PRESSAVG: 975200 -6.39864 -37.6875 10.0794 -37.6875 -31.9366 33.516 10.0794 33.5161 -13.0878 GPRESSAVG: 975200 -6.36576 -34.5207 9.74277 -39.4611 -32.162 33.0816 12.1772 33.242 -12.3007 TIMING: 975200 CPU: 3144.04, 0.00317811/step Wall: 3144.04, 0.00317811/step, 3.55313 hours remaining, 232.996094 MB of memory in use. ENERGY: 975200 4068.3983 20612.6733 14375.8245 240.4050 -203697.9016 2474.4460 0.0000 0.0000 52088.1642 -109837.9903 299.3514 -161926.1545 -109477.6552 298.4735 101.1230 132.4927 760149.4935 -17.1410 -16.9428 PRESSURE: 975400 101.412 -51.1109 -84.7641 -51.1108 424.277 193.908 -84.7648 193.908 273.488 GPRESSURE: 975400 150.074 -2.52026 0.854911 -67.5837 532.794 152.882 -164.977 199.559 207.008 PRESSAVG: 975400 11.1906 -72.8599 -16.5335 -72.86 23.2082 55.8578 -16.5335 55.8578 16.5257 GPRESSAVG: 975400 12.3031 -73.6752 -16.5303 -73.5906 22.5308 57.5645 -20.2284 53.3921 15.6941 TIMING: 975400 CPU: 3144.67, 0.00315869/step Wall: 3144.67, 0.00315869/step, 3.53125 hours remaining, 232.996094 MB of memory in use. ENERGY: 975400 3942.7103 20504.0714 14478.3142 255.9908 -203825.6900 2653.4476 0.0000 0.0000 52085.8726 -109905.2829 299.3382 -161991.1556 -109529.2757 298.8971 266.3922 296.6255 759304.6612 16.9749 16.8427 PRESSURE: 975600 107.786 154.832 -215.787 154.831 69.2836 -152.858 -215.787 -152.858 145.224 GPRESSURE: 975600 152.063 188.6 -314.915 210.295 141.057 -121.925 -33.187 -67.7211 107.65 PRESSAVG: 975600 37.9358 -40.5992 -22.0657 -40.5992 -11.6932 -6.01516 -22.0658 -6.01519 -20.722 GPRESSAVG: 975600 35.2356 -42.4784 -21.795 -37.3592 -11.4674 -5.30527 -17.6313 -7.17125 -18.7557 TIMING: 975600 CPU: 3145.3, 0.00318058/step Wall: 3145.3, 0.00318058/step, 3.55554 hours remaining, 232.996094 MB of memory in use. ENERGY: 975600 3918.3819 20600.1291 14537.4930 260.0837 -203459.2918 2489.8421 0.0000 0.0000 51753.4857 -109899.8762 297.4280 -161653.3619 -109543.1074 299.1806 107.4310 133.5897 760166.0413 1.8402 1.6708 PRESSURE: 975800 198.874 141.082 83.1321 141.081 133.627 -44.248 83.1331 -44.2476 71.8554 GPRESSURE: 975800 254.893 125.008 36.0172 -10.8082 126.389 3.05495 -41.5262 15.8256 90.9069 PRESSAVG: 975800 -12.2833 -53.4012 -14.5934 -53.4012 -15.2708 -43.7217 -14.5935 -43.7216 -17.4199 GPRESSAVG: 975800 -9.65852 -50.8301 -14.4312 -55.535 -16.7169 -44.5401 -15.9902 -42.225 -18.5238 TIMING: 975800 CPU: 3145.94, 0.0031617/step Wall: 3145.94, 0.0031617/step, 3.53425 hours remaining, 232.996094 MB of memory in use. ENERGY: 975800 3956.2727 20594.3547 14496.4902 244.7126 -203723.6436 2780.4839 0.0000 0.0000 51920.0353 -109731.2943 298.3852 -161651.3296 -109383.3260 298.3606 134.7853 157.3962 760636.0478 -14.9913 -14.9664 PRESSURE: 976000 -171.278 90.2571 66.315 90.2579 -51.5375 108.846 66.3154 108.845 435.235 GPRESSURE: 976000 -131.241 -103.81 55.3782 29.8968 -33.2856 105.296 -32.4662 123.549 464.807 PRESSAVG: 976000 -4.03826 -9.23713 21.8872 -9.23717 40.6354 -14.7706 21.8872 -14.7705 0.945051 GPRESSAVG: 976000 -4.77374 -12.2012 20.9825 -7.32185 41.5687 -13.115 20.2543 -15.6898 1.13344 TIMING: 976000 CPU: 3146.56, 0.00312081/step Wall: 3146.56, 0.0031208/step, 3.48837 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 976000 3936.2712 20438.0084 14437.6224 238.2554 -203699.4441 2571.3175 0.0000 0.0000 51944.6974 -110133.2719 298.5269 -162077.9693 -109771.3252 298.8042 70.8064 100.0934 759766.7938 12.5141 12.6428 PRESSURE: 976200 -68.6471 -181.893 -109.515 -181.893 -55.5758 71.3791 -109.516 71.3779 -113.574 GPRESSURE: 976200 -57.8978 -227.56 -35.4043 -100.714 -71.1273 88.8798 -23.235 135.977 -33.8273 PRESSAVG: 976200 -42.6838 -43.5656 0.848963 -43.5656 16.4732 -9.06985 0.848941 -9.06984 5.50516 GPRESSAVG: 976200 -43.3872 -41.8596 0.625205 -45.0121 17.6145 -11.1662 2.29515 -7.77625 5.29086 TIMING: 976200 CPU: 3147.19, 0.00316718/step Wall: 3147.19, 0.00316718/step, 3.54003 hours remaining, 232.996094 MB of memory in use. ENERGY: 976200 3998.9897 20520.2043 14433.3275 234.4197 -203692.8366 2500.2021 0.0000 0.0000 51903.5078 -110102.1856 298.2902 -162005.6934 -109748.2385 297.9775 -79.2656 -54.2841 760774.3239 -6.9018 -6.8273 LDB: ============= START OF LOAD BALANCING ============== 3159.62 LDB: ============== END OF LOAD BALANCING =============== 3159.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3159.62 LDB: ============= START OF LOAD BALANCING ============== 3159.93 LDB: Largest compute 7075 load 0.036827 is 18.8% of average load 0.195470 LDB: Average compute 0.004400 is 2.3% of average load 0.195470 LDB: TIME 3159.94 LOAD: AVG 0.19547 MAX 0.215995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.148 MB LDB: TIME 3159.94 LOAD: AVG 0.19547 MAX 0.215995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.152 MB LDB: TIME 3159.94 LOAD: AVG 0.19547 MAX 0.215995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.152 MB LDB: ============== END OF LOAD BALANCING =============== 3159.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3159.95 PRESSURE: 976400 -115.931 -124.052 -23.2609 -124.051 74.8683 -98.2424 -23.2599 -98.2434 193.209 GPRESSURE: 976400 -68.2602 -185.229 -112.592 35.4162 66.8445 -35.9972 74.935 -96.1804 228.769 PRESSAVG: 976400 -4.54829 -63.2174 -45.3586 -63.2173 19.271 -14.2263 -45.3586 -14.2262 -18.2208 GPRESSAVG: 976400 -3.12482 -63.8895 -46.2113 -62.2427 18.8388 -13.2465 -45.3071 -14.4283 -18.8374 TIMING: 976400 CPU: 3147.84, 0.0032264/step Wall: 3147.84, 0.0032264/step, 3.60604 hours remaining, 231.843750 MB of memory in use. ENERGY: 976400 3907.7822 20452.8748 14438.0021 257.0779 -203448.8233 2415.1718 0.0000 0.0000 51821.5726 -110156.3420 297.8193 -161977.9146 -109792.8861 297.9741 50.7155 75.7844 761643.4627 -1.1661 -1.0412 PRESSURE: 976600 160.907 41.1017 -39.8098 41.1019 -179.358 -87.736 -39.8105 -87.7358 -143.31 GPRESSURE: 976600 184.524 110.79 -42.1685 135.577 -202.221 -32.762 48.1596 -76.116 -76.2344 PRESSAVG: 976600 9.39975 -1.95497 -10.7772 -1.95495 -30.8508 -47.1926 -10.7773 -47.1926 0.156265 GPRESSAVG: 976600 8.82606 -3.02156 -10.1096 -1.39201 -30.699 -48.5462 -10.9706 -47.0673 0.706729 TIMING: 976600 CPU: 3148.48, 0.00318472/step Wall: 3148.48, 0.00318473/step, 3.55928 hours remaining, 232.371094 MB of memory in use. ENERGY: 976600 4007.1139 20541.5940 14491.3895 232.2843 -203811.1025 2535.7789 0.0000 0.0000 51871.0397 -110131.9021 298.1036 -162002.9418 -109777.2863 298.4721 -53.9203 -31.3105 760130.6969 -7.0983 -7.0554 PRESSURE: 976800 -143.081 67.1521 -406.045 67.1525 -127.257 1.48523 -406.045 1.48485 -87.0604 GPRESSURE: 976800 -72.4818 90.0565 -401.081 -79.3559 -119.746 57.8302 -273.806 19.5577 -83.5482 PRESSAVG: 976800 13.3688 -7.62408 -12.6114 -7.62403 -6.64118 -39.7131 -12.6114 -39.7132 -8.85053 GPRESSAVG: 976800 12.4704 -6.79363 -14.5088 -9.88142 -7.00291 -39.5629 -13.0771 -39.0073 -7.72276 TIMING: 976800 CPU: 3149.11, 0.00316027/step Wall: 3149.11, 0.00316027/step, 3.53178 hours remaining, 232.371094 MB of memory in use. ENERGY: 976800 3980.5851 20548.2629 14432.8058 231.0187 -203466.1998 2334.0491 0.0000 0.0000 51812.8397 -110126.6385 297.7691 -161939.4782 -109764.4111 298.2473 -119.1330 -91.9255 761346.3580 -0.7076 -0.7518 PRESSURE: 977000 82.4308 -272.105 0.456989 -272.105 97.9302 -223.591 0.456815 -223.591 272.692 GPRESSURE: 977000 75.0159 -338.921 5.37655 -213.423 164.313 -195.979 36.9161 -348.07 289.525 PRESSAVG: 977000 14.1948 -35.8112 -6.92515 -35.8112 13.8455 15.7664 -6.92524 15.7665 -2.94804 GPRESSAVG: 977000 14.2089 -35.2092 -4.50957 -33.4578 14.265 14.5312 -5.93214 16.0301 -3.61721 TIMING: 977000 CPU: 3149.75, 0.0031988/step Wall: 3149.75, 0.0031988/step, 3.57466 hours remaining, 232.371094 MB of memory in use. ENERGY: 977000 3980.2293 20610.4840 14439.8984 259.1411 -203645.0825 2728.0035 0.0000 0.0000 51552.7582 -110074.5679 296.2744 -161627.3261 -109721.1099 298.2834 151.0177 176.2846 758874.0134 8.3641 8.2855 PRESSURE: 977200 158.034 78.9119 -7.93751 78.9123 -327.827 47.7321 -7.93701 47.7329 -442.18 GPRESSURE: 977200 134.864 -43.6411 19.3496 46.1185 -274.277 19.1375 64.7225 39.8607 -387.874 PRESSAVG: 977200 41.0994 -42.2338 -44.5664 -42.2338 -60.1617 -61.0646 -44.5664 -61.0646 -12.4428 GPRESSAVG: 977200 41.6986 -42.1647 -45.4764 -44.2189 -59.6546 -60.0812 -44.7484 -60.8589 -13.2064 TIMING: 977200 CPU: 3150.38, 0.00313946/step Wall: 3150.38, 0.00313946/step, 3.50817 hours remaining, 232.574219 MB of memory in use. ENERGY: 977200 3965.4932 20402.3876 14525.7164 242.6043 -203657.8779 2312.2038 0.0000 0.0000 52146.2626 -110063.2099 299.6853 -162209.4725 -109696.1673 298.2915 -203.9909 -175.7621 759497.4927 -10.5017 -10.3875 PRESSURE: 977400 128.788 -107.593 -34.9945 -107.594 -150.608 103.812 -34.9941 103.813 -369.157 GPRESSURE: 977400 155.4 -92.2173 -52.3029 -40.1548 -111.146 68.687 40.2143 188.294 -345.518 PRESSAVG: 977400 66.7341 -17.0355 -48.9284 -17.0355 -48.4665 25.6502 -48.9284 25.6502 -9.11024 GPRESSAVG: 977400 67.11 -19.3052 -48.0306 -14.0535 -49.0491 25.6712 -48.234 25.3808 -9.19146 TIMING: 977400 CPU: 3151.01, 0.00318114/step Wall: 3151.01, 0.00318114/step, 3.55457 hours remaining, 232.574219 MB of memory in use. ENERGY: 977400 3933.0929 20599.8652 14496.6750 251.9585 -203942.9750 2624.9970 0.0000 0.0000 52011.1256 -110025.2609 298.9087 -162036.3865 -109662.2854 298.5890 -130.3256 -100.4212 758336.9656 3.0525 2.9565 PRESSURE: 977600 12.0062 -122.073 -210.023 -122.073 260.758 126.804 -210.024 126.805 83.6377 GPRESSURE: 977600 150.239 -93.3253 -248.379 -20.5501 217.36 64.751 -148.251 15.5959 61.3314 PRESSAVG: 977600 50.6656 2.18134 -32.6216 2.18129 -22.173 -7.35047 -32.6215 -7.35042 12.6899 GPRESSAVG: 977600 51.1026 5.5613 -33.8358 1.19931 -22.2971 -7.03307 -31.5147 -8.44704 12.8961 TIMING: 977600 CPU: 3151.65, 0.00320426/step Wall: 3151.65, 0.00320426/step, 3.58023 hours remaining, 232.574219 MB of memory in use. ENERGY: 977600 3996.2240 20491.5701 14421.1301 234.2798 -203804.0751 2632.1241 0.0000 0.0000 51980.5612 -110048.1858 298.7330 -162028.7470 -109683.2140 298.3457 118.8005 142.9765 757606.2479 13.7275 13.9005 PRESSURE: 977800 188.035 -54.4287 -73.0185 -54.4291 51.1146 -16.5276 -73.0184 -16.528 435.335 GPRESSURE: 977800 190.55 -147.229 -24.5481 -202.987 185.098 -95.7429 32.263 72.5923 363.516 PRESSAVG: 977800 32.3361 -33.4564 -6.81319 -33.4564 -36.4918 47.1596 -6.81317 47.1596 -15.125 GPRESSAVG: 977800 32.6353 -33.9995 -6.21417 -34.7428 -34.9487 47.4583 -7.98567 48.8158 -16.6983 TIMING: 977800 CPU: 3152.3, 0.00322455/step Wall: 3152.3, 0.00322455/step, 3.60272 hours remaining, 232.574219 MB of memory in use. ENERGY: 977800 4001.1393 20634.5505 14469.0732 250.7582 -203746.8911 2663.6132 0.0000 0.0000 51791.8522 -109935.9045 297.6485 -161727.7567 -109575.3164 298.8295 224.8284 246.3878 759908.8069 -6.4269 -6.3372 PRESSURE: 978000 -214.232 82.3012 79.4978 82.3017 59.185 -91.563 79.4984 -91.5617 569.47 GPRESSURE: 978000 -114.298 42.543 75.7489 142.241 39.1188 -87.3798 -95.3369 -120.46 575.876 PRESSAVG: 978000 9.11005 -55.3322 27.2068 -55.3322 13.1291 -23.4094 27.2069 -23.4094 3.97604 GPRESSAVG: 978000 8.63962 -58.3665 27.2423 -52.7496 12.1708 -24.8738 26.7819 -23.7863 5.97237 TIMING: 978000 CPU: 3152.94, 0.00319836/step Wall: 3152.94, 0.00319836/step, 3.57328 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 978000 4020.5494 20440.5296 14461.4132 248.4134 -204099.1402 3021.3631 0.0000 0.0000 52017.1686 -109889.7029 298.9434 -161906.8715 -109524.5793 298.2244 138.1411 166.8987 758232.5927 8.7384 8.9276 PRESSURE: 978200 20.4017 57.7269 -28.0976 57.7275 90.0239 96.0314 -28.0978 96.0313 -32.1074 GPRESSURE: 978200 42.6011 137.662 -28.7632 42.9187 134.981 141.873 15.7597 55.6353 -2.45607 PRESSAVG: 978200 27.266 -58.5706 -11.1711 -58.5707 -12.5174 8.02869 -11.1711 8.02881 -5.6114 GPRESSAVG: 978200 28.3879 -57.2905 -10.3282 -59.0986 -13.5011 10.0444 -10.183 6.46286 -5.72237 TIMING: 978200 CPU: 3153.57, 0.00317682/step Wall: 3153.57, 0.00317683/step, 3.54904 hours remaining, 232.574219 MB of memory in use. ENERGY: 978200 3916.7437 20507.8031 14470.9152 239.8693 -202951.4752 2170.0477 0.0000 0.0000 51722.4694 -109923.6268 297.2497 -161646.0961 -109556.1769 298.5121 26.1061 58.3754 759996.8301 3.0457 3.0548 PRESSURE: 978400 -427.014 -20.96 -200.534 -20.9599 -190.891 154.591 -200.534 154.59 260.654 GPRESSURE: 978400 -349.733 10.6136 -122.908 -101.537 -157.292 76.1011 -282.75 189.904 240.773 PRESSAVG: 978400 45.5257 -50.3584 -0.960326 -50.3583 -38.2308 16.4199 -0.960355 16.4199 14.4301 GPRESSAVG: 978400 45.7052 -48.9646 -1.26007 -51.2386 -37.5116 15.266 -2.03576 16.3012 13.6363 TIMING: 978400 CPU: 3154.21, 0.00316601/step Wall: 3154.21, 0.00316601/step, 3.53678 hours remaining, 232.574219 MB of memory in use. ENERGY: 978400 3990.9569 20483.1103 14518.2237 232.6664 -203781.2906 2418.7678 0.0000 0.0000 52055.4475 -110082.1181 299.1634 -162137.5655 -109709.5445 298.3746 -119.0835 -88.7509 760556.9331 7.2417 7.2766 PRESSURE: 978600 -128.34 -18.5053 270.537 -18.5048 160.624 -165.227 270.536 -165.225 -40.1683 GPRESSURE: 978600 -110.613 -9.04704 323.02 29.0059 150.56 -202.574 236.287 -234.084 21.631 PRESSAVG: 978600 -8.98295 -18.5218 9.07511 -18.5218 1.92096 -26.5015 9.07509 -26.5015 -11.4651 GPRESSAVG: 978600 -10.0284 -17.9056 10.6732 -20.1762 1.53021 -28.2217 9.37701 -25.1812 -9.79872 TIMING: 978600 CPU: 3154.84, 0.00315561/step Wall: 3154.84, 0.00315561/step, 3.525 hours remaining, 232.574219 MB of memory in use. ENERGY: 978600 3976.8659 20564.8325 14514.0775 243.4420 -203604.2665 2418.4709 0.0000 0.0000 51947.9018 -109938.6759 298.5453 -161886.5777 -109576.5802 298.4392 -2.6281 20.5260 759873.6399 -6.1757 -6.0990 PRESSURE: 978800 -553.552 -127.307 7.19388 -127.307 -80.2622 -195.503 7.19343 -195.504 64.3688 GPRESSURE: 978800 -419.032 15.0564 -20.7222 -107.362 -125.862 -158.591 95.6836 -57.148 47.8915 PRESSAVG: 978800 29.1719 -82.0449 3.3905 -82.0449 -2.32145 -13.3926 3.39047 -13.3927 -2.6638 GPRESSAVG: 978800 30.1369 -84.0401 2.07787 -80.4065 -2.96825 -12.6465 2.71084 -12.3903 -2.51766 TIMING: 978800 CPU: 3155.47, 0.00316849/step Wall: 3155.47, 0.00316849/step, 3.5392 hours remaining, 232.574219 MB of memory in use. ENERGY: 978800 3986.5018 20351.0807 14501.0693 241.9866 -203572.7216 2409.0978 0.0000 0.0000 51991.6095 -110091.3760 298.7965 -162082.9855 -109720.4294 298.3703 -189.8150 -165.6674 759841.8680 8.0622 8.2170 PRESSURE: 979000 103.238 -195.852 -19.6323 -195.852 400.784 -225.693 -19.6331 -225.693 177.386 GPRESSURE: 979000 154.633 -231.054 -6.87984 -89.7123 334.168 -167.907 73.1153 -143.026 274.524 PRESSAVG: 979000 -63.2668 -34.3323 -4.44672 -34.3323 89.2124 -17.7966 -4.4467 -17.7966 -1.83236 GPRESSAVG: 979000 -63.4021 -32.0942 -2.72745 -34.8735 89.1188 -16.8163 -2.30628 -19.1255 -2.1692 TIMING: 979000 CPU: 3156.1, 0.00316908/step Wall: 3156.1, 0.00316908/step, 3.53969 hours remaining, 232.574219 MB of memory in use. ENERGY: 979000 3971.2135 20664.9014 14521.3554 247.7348 -203748.5952 2686.8836 0.0000 0.0000 51771.8587 -109884.6477 297.5336 -161656.5064 -109518.2421 298.6682 227.1360 254.4416 759576.1267 8.0378 7.8492 PRESSURE: 979200 138.186 -42.278 196.723 -42.2791 69.4009 307.412 196.724 307.412 81.9534 GPRESSURE: 979200 116.131 43.9889 180.99 -101.725 117.733 312.761 46.9579 244.936 114.237 PRESSAVG: 979200 -30.7144 -76.8429 8.94759 -76.843 43.7632 -37.6065 8.94759 -37.6065 -0.863411 GPRESSAVG: 979200 -30.9065 -78.1803 6.26602 -76.0249 43.5363 -38.3076 5.33905 -37.934 -1.00356 TIMING: 979200 CPU: 3156.74, 0.00315784/step Wall: 3156.74, 0.00315784/step, 3.52696 hours remaining, 232.574219 MB of memory in use. ENERGY: 979200 3976.4774 20640.8161 14452.6782 226.4431 -203705.7429 2737.8648 0.0000 0.0000 52194.9418 -109476.5214 299.9650 -161671.4632 -109111.6152 299.4341 96.5135 116.0335 759379.6488 4.0618 3.8754 PRESSURE: 979400 -314.679 -119.07 -126.476 -119.07 -166.449 -244.079 -126.475 -244.079 -66.4316 GPRESSURE: 979400 -206.073 -87.209 -216.448 -143.819 -124.116 -235.901 81.3804 -84.2459 -127.627 PRESSAVG: 979400 -36.4854 -53.5053 -49.4514 -53.5053 7.764 -34.0827 -49.4513 -34.0828 3.08005 GPRESSAVG: 979400 -37.0346 -52.4099 -48.118 -53.6263 8.58537 -33.7292 -47.5382 -35.6236 2.62236 TIMING: 979400 CPU: 3157.37, 0.00314699/step Wall: 3157.37, 0.00314699/step, 3.51466 hours remaining, 232.574219 MB of memory in use. ENERGY: 979400 3991.7309 20583.1280 14439.2616 253.5197 -203530.7353 2479.9509 0.0000 0.0000 52123.8519 -109659.2921 299.5565 -161783.1441 -109299.3549 299.5985 -182.5198 -152.6051 761455.0534 -8.5471 -8.6090 PRESSURE: 979600 -140.297 -115.502 165.014 -115.501 66.6282 120.735 165.014 120.736 -1.9821 GPRESSURE: 979600 -80.1485 -137.47 195.549 -63.7769 20.9261 169.883 57.5284 15.521 79.8025 PRESSAVG: 979600 8.90086 -63.3468 -27.5816 -63.3468 -16.4855 -60.7534 -27.5816 -60.7534 -3.54885 GPRESSAVG: 979600 10.1926 -64.7652 -28.2246 -64.5326 -18.0629 -60.7391 -28.0415 -60.5385 -3.44182 TIMING: 979600 CPU: 3158, 0.00318087/step Wall: 3158, 0.00318087/step, 3.55232 hours remaining, 232.574219 MB of memory in use. ENERGY: 979600 3924.7627 20543.2129 14509.3673 252.2874 -203534.9825 2544.2136 0.0000 0.0000 52207.8205 -109553.3180 300.0391 -161761.1385 -109182.5904 299.3088 -25.2168 6.8600 761153.0649 -3.7112 -3.7707 PRESSURE: 979800 365.633 -362.459 -10.6897 -362.46 90.9835 -295.606 -10.6891 -295.607 260.118 GPRESSURE: 979800 296.763 -354.053 -113.302 -364.598 207.798 -202.391 15.2014 -256.39 288.883 PRESSAVG: 979800 -29.2386 -113.936 18.5475 -113.936 21.6519 10.7599 18.5475 10.7598 29.008 GPRESSAVG: 979800 -31.8028 -114.839 19.742 -111.287 24.3703 10.3066 18.6578 11.8361 29.0285 TIMING: 979800 CPU: 3158.64, 0.00316764/step Wall: 3158.64, 0.00316765/step, 3.53738 hours remaining, 232.574219 MB of memory in use. ENERGY: 979800 3945.0718 20632.6527 14453.6224 249.4872 -203963.6802 2915.8788 0.0000 0.0000 52322.3115 -109444.6559 300.6970 -161766.9674 -109088.8877 299.8664 238.9115 264.4812 759940.7534 7.1404 7.1987 PRESSURE: 980000 -180.651 21.5294 178.292 21.5292 -48.0107 -99.3568 178.291 -99.357 -221.265 GPRESSURE: 980000 -221.548 -68.7418 151.092 -30.4667 21.8164 -81.5991 107.13 -151.284 -162.098 PRESSAVG: 980000 -13.4027 -4.66195 -48.4644 -4.66196 6.92613 44.032 -48.4644 44.032 13.7193 GPRESSAVG: 980000 -11.6338 -4.51759 -50.4985 -5.11406 5.76718 44.3789 -48.3885 44.241 13.2247 TIMING: 980000 CPU: 3159.27, 0.00319536/step Wall: 3159.27, 0.00319536/step, 3.56816 hours remaining, 232.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 980000 4008.8277 20676.0982 14457.2596 252.5679 -203432.1069 2499.4832 0.0000 0.0000 52296.4330 -109241.4372 300.5483 -161537.8703 -108886.0320 300.0761 -149.9755 -120.6097 761557.6474 2.4142 2.4527 PRESSURE: 980200 317.358 11.1806 -114.704 11.1798 178.328 -71.1097 -114.704 -71.109 -226.647 GPRESSURE: 980200 375.543 -100.161 -67.6436 58.9926 168.792 -103.684 -83.9212 -161.124 -176.392 PRESSAVG: 980200 -44.3667 -27.8667 -2.51278 -27.8667 58.0022 26.0101 -2.51275 26.0101 21.0581 GPRESSAVG: 980200 -43.5523 -27.198 -0.0510232 -30.5053 57.3813 24.8821 -3.65826 26.2977 20.9489 TIMING: 980200 CPU: 3159.92, 0.00321161/step Wall: 3159.92, 0.00321161/step, 3.58612 hours remaining, 232.574219 MB of memory in use. ENERGY: 980200 4065.3715 20739.0208 14387.8738 241.7677 -203673.9985 2831.6289 0.0000 0.0000 52277.9899 -109130.3459 300.4423 -161408.3358 -108769.1306 300.6180 89.6796 122.6478 760043.1117 11.5645 11.5926 LDB: ============= START OF LOAD BALANCING ============== 3172.34 LDB: ============== END OF LOAD BALANCING =============== 3172.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3172.35 LDB: ============= START OF LOAD BALANCING ============== 3172.66 LDB: Largest compute 7075 load 0.035183 is 18.0% of average load 0.195381 LDB: Average compute 0.004430 is 2.3% of average load 0.195381 LDB: TIME 3172.67 LOAD: AVG 0.195381 MAX 0.213282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233 MB LDB: TIME 3172.67 LOAD: AVG 0.195381 MAX 0.213282 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: TIME 3172.67 LOAD: AVG 0.195381 MAX 0.213282 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: ============== END OF LOAD BALANCING =============== 3172.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3172.68 PRESSURE: 980400 316.27 -95.9404 57.3855 -95.9401 311.261 -111.718 57.3859 -111.717 161.939 GPRESSURE: 980400 271.732 -134.3 96.4755 85.3574 405.162 -40.7316 190.881 -46.4508 196.22 PRESSAVG: 980400 64.3593 -41.875 -22.8855 -41.875 25.3429 -15.7811 -22.8856 -15.781 10.3196 GPRESSAVG: 980400 63.4921 -41.1448 -24.8935 -39.1611 24.881 -13.2283 -20.0956 -15.824 11.1667 TIMING: 980400 CPU: 3160.57, 0.00326364/step Wall: 3160.57, 0.00326364/step, 3.64403 hours remaining, 230.875000 MB of memory in use. ENERGY: 980400 3958.0770 20590.8603 14468.6532 279.6410 -203893.8666 2781.3852 0.0000 0.0000 52682.7272 -109132.5226 302.7684 -161815.2498 -108758.5577 300.4601 263.1567 291.0380 758121.6408 33.3406 33.1800 PRESSURE: 980600 -135.736 -58.5381 -54.0623 -58.5386 -75.7836 64.3044 -54.0625 64.3044 -359.486 GPRESSURE: 980600 -76.4019 23.2015 -64.5382 -63.6264 -27.1265 102.164 -24.2323 -0.201304 -383.083 PRESSAVG: 980600 -18.0151 19.6211 -16.7903 19.621 31.5147 -8.02664 -16.7903 -8.02668 -19.7358 GPRESSAVG: 980600 -17.2059 20.2126 -15.9314 18.3872 31.7839 -10.6973 -18.5152 -7.85833 -20.3337 TIMING: 980600 CPU: 3161.21, 0.00319094/step Wall: 3161.21, 0.00319094/step, 3.56269 hours remaining, 231.078125 MB of memory in use. ENERGY: 980600 4039.5507 20683.1827 14558.5719 246.0049 -203393.4144 2438.2158 0.0000 0.0000 52171.7457 -109256.1427 299.8317 -161427.8884 -108887.4315 300.5935 -190.3350 -162.2038 760649.8532 -2.0787 -1.9186 PRESSURE: 980800 189.167 134.28 -103.719 134.28 97.8499 -90.6182 -103.719 -90.6183 109.705 GPRESSURE: 980800 175.917 57.2812 -123.383 19.8781 172.008 -63.9088 -24.6605 20.5018 118.306 PRESSAVG: 980800 -21.9295 -72.5093 -12.5989 -72.5093 -5.80631 20.439 -12.5989 20.4389 -1.10124 GPRESSAVG: 980800 -22.3549 -74.4983 -13.5732 -73.7941 -5.38153 20.9966 -11.8345 19.0867 -1.01022 TIMING: 980800 CPU: 3161.85, 0.00318674/step Wall: 3161.85, 0.00318674/step, 3.55782 hours remaining, 231.078125 MB of memory in use. ENERGY: 980800 3977.8206 20750.4098 14515.8464 265.8500 -203243.9636 2415.0757 0.0000 0.0000 52151.3986 -109167.5627 299.7148 -161318.9612 -108810.7172 300.8863 132.2407 155.4103 758622.2929 -9.6123 -9.5822 PRESSURE: 981000 -413.866 129.353 -194.73 129.352 -12.2374 134.115 -194.731 134.115 -64.9346 GPRESSURE: 981000 -402.239 177.238 -170.602 27.1968 66.117 5.2059 -276.904 128.081 -61.2545 PRESSAVG: 981000 6.81034 -73.748 -27.9537 -73.748 -0.805148 -15.9393 -27.9536 -15.9394 13.0317 GPRESSAVG: 981000 7.76721 -72.5566 -26.9531 -71.8212 -1.16095 -16.7771 -30.4276 -13.9982 12.7024 TIMING: 981000 CPU: 3162.49, 0.00320028/step Wall: 3162.49, 0.00320028/step, 3.57276 hours remaining, 231.078125 MB of memory in use. ENERGY: 981000 4096.9397 20693.0203 14426.6024 242.4979 -203612.7383 2717.3735 0.0000 0.0000 52207.7443 -109228.5603 300.0386 -161436.3046 -108868.9769 300.7260 -163.6792 -132.4589 760404.6863 6.3456 6.4362 PRESSURE: 981200 -395.962 266.894 -147.899 266.893 -63.9028 21.414 -147.9 21.4142 92.2854 GPRESSURE: 981200 -322.95 178.453 -133.473 141.205 -72.7054 100.725 -133.692 87.0663 125.568 PRESSAVG: 981200 2.39359 -86.577 -25.3359 -86.577 11.033 16.2048 -25.3359 16.2048 -23.3309 GPRESSAVG: 981200 2.38748 -86.9616 -25.1767 -87.1759 11.5675 16.6577 -21.7089 14.443 -23.2542 TIMING: 981200 CPU: 3163.12, 0.00319125/step Wall: 3163.12, 0.00319125/step, 3.5625 hours remaining, 231.078125 MB of memory in use. ENERGY: 981200 4059.6079 20597.7041 14467.7689 245.8444 -203154.3052 2386.7867 0.0000 0.0000 51939.4734 -109457.1199 298.4969 -161396.5933 -109097.7605 299.8973 -122.5265 -90.0293 760973.8231 -3.3015 -3.0998 PRESSURE: 981400 24.4293 -50.0223 -36.2935 -50.0227 314.43 40.696 -36.2931 40.6969 137.718 GPRESSURE: 981400 84.7274 -66.0987 -122.105 27.4707 324.045 25.0902 19.9246 77.5985 134.316 PRESSAVG: 981400 -5.83753 -14.4968 13.6795 -14.4968 -12.7531 -6.66921 13.6795 -6.66926 29.1685 GPRESSAVG: 981400 -5.1367 -15.9911 14.3392 -14.7682 -13.2979 -6.23075 13.1373 -6.38024 28.8891 TIMING: 981400 CPU: 3163.76, 0.00317426/step Wall: 3163.76, 0.00317426/step, 3.54336 hours remaining, 231.078125 MB of memory in use. ENERGY: 981400 3970.8176 20457.0154 14452.5557 272.6914 -203460.8076 2635.5225 0.0000 0.0000 52237.9943 -109434.2106 300.2125 -161672.2049 -109073.5645 299.5836 158.8592 181.0293 761279.9460 3.5259 3.4848 PRESSURE: 981600 235.612 97.7861 -92.8898 97.7863 53.874 -32.0718 -92.89 -32.0719 313.223 GPRESSURE: 981600 296.925 113.499 -107.818 182.244 120.316 -31.0504 16.447 23.579 276.767 PRESSAVG: 981600 -21.6804 -55.2497 -39.9343 -55.2497 60.3968 6.52321 -39.9343 6.5233 -11.2716 GPRESSAVG: 981600 -23.0762 -54.1838 -41.5415 -54.7816 60.8942 7.10727 -41.449 6.88416 -10.3745 TIMING: 981600 CPU: 3164.4, 0.00319141/step Wall: 3164.4, 0.00319141/step, 3.56232 hours remaining, 231.281250 MB of memory in use. ENERGY: 981600 4024.0041 20573.0942 14509.1803 243.5117 -203480.1954 2827.9508 0.0000 0.0000 51928.2816 -109374.1728 298.4325 -161302.4544 -109006.7320 299.4692 200.9029 231.3362 759779.7084 9.1483 9.1478 PRESSURE: 981800 -441.924 -155.6 -112.278 -155.601 44.0125 -342.002 -112.279 -342.001 -433.225 GPRESSURE: 981800 -396.811 -162.145 -166.793 -138.443 7.6761 -249.739 -29.8587 -292.1 -374.559 PRESSAVG: 981800 -13.7297 -59.7899 -20.8148 -59.7899 5.27372 -14.2433 -20.8148 -14.2433 25.2483 GPRESSAVG: 981800 -11.9932 -59.2999 -22.311 -60.6254 4.28128 -15.6554 -17.7005 -13.857 24.6992 TIMING: 981800 CPU: 3165.03, 0.00316146/step Wall: 3165.03, 0.00316146/step, 3.52872 hours remaining, 231.281250 MB of memory in use. ENERGY: 981800 3949.8251 20762.9526 14515.7571 244.3361 -203148.0945 2289.5089 0.0000 0.0000 51976.0564 -109409.6583 298.7071 -161385.7146 -109043.6094 299.9209 -277.0456 -254.5648 760178.7250 5.5974 5.6624 PRESSURE: 982000 68.7289 125.769 226.231 125.768 134.775 88.6328 226.231 88.6326 254.505 GPRESSURE: 982000 61.1788 158.353 172.642 116.665 253.933 -60.8306 76.3778 8.05515 235.397 PRESSAVG: 982000 -0.539304 5.53401 -39.0134 5.53405 12.4816 -37.6477 -39.0133 -37.6476 -1.02235 GPRESSAVG: 982000 -2.20644 6.06596 -36.6615 4.86371 13.7692 -35.2913 -42.038 -38.5744 -1.34806 TIMING: 982000 CPU: 3165.66, 0.00316035/step Wall: 3165.66, 0.00316035/step, 3.5273 hours remaining, 231.281250 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: 982000 4024.3576 20556.2275 14491.8480 255.3973 -203960.0621 2914.0264 0.0000 0.0000 52330.5404 -109387.6649 300.7443 -161718.2053 -109036.4843 299.5169 152.6695 183.5029 760611.4755 3.6400 3.4049 PRESSURE: 982200 -219.33 -21.3025 -68.0141 -21.3024 363.32 -84.2593 -68.0126 -84.2586 -18.2078 GPRESSURE: 982200 -3.09434 -49.4812 4.93763 -3.39044 269.551 -6.55862 -111.928 -108.416 -42.1307 PRESSAVG: 982200 3.47215 -24.4242 -50.1674 -24.4241 12.0812 -33.2595 -50.1674 -33.2594 4.68082 GPRESSAVG: 982200 3.99006 -27.0165 -50.2388 -23.2025 11.6908 -35.1369 -48.8427 -31.7103 4.65999 TIMING: 982200 CPU: 3166.31, 0.00322034/step Wall: 3166.31, 0.00322034/step, 3.59408 hours remaining, 231.281250 MB of memory in use. ENERGY: 982200 4052.0378 20768.0562 14471.4198 230.4111 -203530.9337 2697.5652 0.0000 0.0000 52033.5107 -109277.9328 299.0373 -161311.4436 -108920.0642 299.9973 41.9273 74.7752 760678.4823 6.7447 6.7803 PRESSURE: 982400 -112.899 -36.2855 -204.189 -36.2842 -348.754 -85.0202 -204.189 -85.02 -416.13 GPRESSURE: 982400 -66.4844 -28.8221 -125.888 -171.185 -227.228 -140.375 -272.529 -91.3713 -463.945 PRESSAVG: 982400 1.5273 -42.791 -75.0498 -42.791 9.06324 20.1801 -75.0497 20.1802 9.40725 GPRESSAVG: 982400 2.60466 -40.525 -75.0529 -41.9586 7.98608 20.0699 -75.437 19.9408 9.85203 TIMING: 982400 CPU: 3166.95, 0.00320256/step Wall: 3166.95, 0.00320256/step, 3.57406 hours remaining, 231.281250 MB of memory in use. ENERGY: 982400 4057.2462 20732.1597 14488.1365 255.0385 -203290.6912 2335.0888 0.0000 0.0000 52076.0087 -109347.0129 299.2815 -161423.0216 -108988.0365 299.8155 -292.5946 -252.5526 761721.7293 6.6659 6.8143 PRESSURE: 982600 -123.505 -190.174 115.432 -190.174 -130.127 98.7593 115.431 98.7586 142.101 GPRESSURE: 982600 -124.216 -213.815 18.2922 -184.891 -48.32 62.785 110.781 51.8924 147.534 PRESSAVG: 982600 31.0861 -3.32115 -37.4208 -3.32127 -25.0413 -43.3379 -37.4209 -43.338 -23.493 GPRESSAVG: 982600 29.7374 -6.64652 -37.72 -4.63364 -23.3933 -43.8732 -39.0898 -44.2694 -24.0524 TIMING: 982600 CPU: 3167.59, 0.00322823/step Wall: 3167.59, 0.00322823/step, 3.60252 hours remaining, 231.281250 MB of memory in use. ENERGY: 982600 4027.4768 20630.4103 14477.5686 243.9697 -203432.2598 2682.2893 0.0000 0.0000 52021.8432 -109348.7020 298.9702 -161370.5451 -108986.5917 299.6667 -37.1770 -8.3338 761840.9449 -5.8161 -5.9028 PRESSURE: 982800 -22.6042 -167.458 -144.756 -167.458 163.558 -310.387 -144.756 -310.388 -194.352 GPRESSURE: 982800 74.9471 -196.277 -256.941 -206.659 152.72 -317.574 -118.313 -187.098 -188.657 PRESSAVG: 982800 -6.7922 30.7617 -23.2533 30.7617 13.7777 -47.5734 -23.2533 -47.5734 21.0065 GPRESSAVG: 982800 -6.06057 30.806 -23.1336 31.9365 11.767 -46.1845 -21.6604 -46.962 22.1091 TIMING: 982800 CPU: 3168.23, 0.0032067/step Wall: 3168.23, 0.0032067/step, 3.57832 hours remaining, 231.281250 MB of memory in use. ENERGY: 982800 3999.0741 20600.0796 14518.8345 254.0403 -203113.0756 2411.6728 0.0000 0.0000 51973.6996 -109355.6747 298.6936 -161329.3743 -108991.4175 299.5420 -17.7995 13.0035 761630.0725 9.3307 9.2719 PRESSURE: 983000 -17.6025 90.3964 -91.1115 90.3967 92.4594 -147.467 -91.1105 -147.467 46.0065 GPRESSURE: 983000 56.8806 104.117 -159.573 189.764 67.7087 -95.9298 39.6011 28.3816 70.5437 PRESSAVG: 983000 -44.9396 7.48206 9.08939 7.48208 22.458 -25.7586 9.08936 -25.7585 -2.24874 GPRESSAVG: 983000 -44.1631 8.97599 9.07048 7.81993 23.8748 -25.8556 9.03715 -24.492 -4.15311 TIMING: 983000 CPU: 3168.87, 0.00320449/step Wall: 3168.87, 0.00320449/step, 3.57568 hours remaining, 231.281250 MB of memory in use. ENERGY: 983000 4011.9494 20593.8857 14451.4730 261.9616 -203141.8966 2427.2419 0.0000 0.0000 51935.6572 -109459.7278 298.4749 -161395.3850 -109099.6545 299.3561 40.2878 65.0443 762305.8296 -8.2435 -8.1471 PRESSURE: 983200 29.1624 -37.0524 -246.478 -37.0526 227.325 54.8209 -246.479 54.8196 -196.044 GPRESSURE: 983200 116.076 26.382 -145.74 -1.99481 205.178 37.4998 -244.942 -49.4751 -190.834 PRESSAVG: 983200 13.4453 -22.3935 -39.7676 -22.3935 20.6537 -41.539 -39.7676 -41.539 -25.9537 GPRESSAVG: 983200 13.294 -20.2711 -39.5137 -23.9274 19.3513 -42.3086 -38.8827 -41.8491 -24.1909 TIMING: 983200 CPU: 3169.52, 0.00321173/step Wall: 3169.52, 0.00321173/step, 3.58358 hours remaining, 231.281250 MB of memory in use. ENERGY: 983200 4091.8612 20681.2718 14398.1047 221.7459 -203686.2432 2465.0373 0.0000 0.0000 52144.4193 -109683.8030 299.6747 -161828.2223 -109326.3612 299.2582 20.1477 43.4735 760721.5196 2.7151 2.8181 PRESSURE: 983400 50.1362 61.2613 -165.214 61.261 113.8 -100.024 -165.213 -100.023 481.666 GPRESSURE: 983400 84.8179 141.992 -194.877 37.2505 162.95 -3.71641 -173.231 -136.356 495.207 PRESSAVG: 983400 -12.9622 -47.7362 -1.99394 -47.7362 43.2323 -14.8034 -1.99389 -14.8033 13.4991 GPRESSAVG: 983400 -13.1305 -49.0746 -1.62605 -46.9796 43.9042 -13.2471 -4.72708 -16.008 13.2172 TIMING: 983400 CPU: 3170.16, 0.0032193/step Wall: 3170.16, 0.0032193/step, 3.59185 hours remaining, 231.281250 MB of memory in use. ENERGY: 983400 4001.4102 20509.5334 14400.7221 265.4089 -203866.2792 2782.7463 0.0000 0.0000 52241.7486 -109664.7096 300.2340 -161906.4583 -109305.4380 299.3637 215.2008 247.6582 758775.6281 14.5897 14.6636 PRESSURE: 983600 34.2248 -61.6203 -55.8946 -61.6204 -57.7044 210.563 -55.8944 210.562 194.689 GPRESSURE: 983600 -2.94924 -45.7659 -67.8822 -20.9785 103.524 136.751 -25.0681 206.932 159.696 PRESSAVG: 983600 10.1746 -62.9877 5.88265 -62.9876 33.1501 -14.2869 5.88264 -14.2869 -10.8531 GPRESSAVG: 983600 9.59597 -62.0248 5.91415 -61.2138 33.5922 -17.1249 7.17268 -12.8165 -10.4863 TIMING: 983600 CPU: 3170.8, 0.0031872/step Wall: 3170.8, 0.0031872/step, 3.55585 hours remaining, 231.281250 MB of memory in use. ENERGY: 983600 4001.0170 20608.4589 14412.8797 237.3571 -203234.6519 2529.1309 0.0000 0.0000 51757.7679 -109688.0403 297.4526 -161445.8082 -109322.3841 299.3496 57.0697 86.7568 760617.0176 10.8239 10.9006 PRESSURE: 983800 -287.159 -130.96 139.31 -130.96 43.9087 -124.339 139.311 -124.338 -777.64 GPRESSURE: 983800 -114.443 -120.063 130.634 -130.25 16.067 -194.427 33.4978 -75.36 -797.319 PRESSAVG: 983800 -59.9689 -37.5265 2.03941 -37.5264 33.1642 35.6838 2.03939 35.6838 2.27585 GPRESSAVG: 983800 -59.8721 -38.1408 1.6198 -38.6539 33.5558 36.5137 2.88996 35.1555 1.73425 TIMING: 983800 CPU: 3171.43, 0.00316571/step Wall: 3171.43, 0.00316571/step, 3.5317 hours remaining, 231.281250 MB of memory in use. ENERGY: 983800 4040.6061 20375.5069 14553.7452 245.7665 -203092.9019 2128.5311 0.0000 0.0000 51944.4897 -109804.2564 298.5257 -161748.7461 -109449.5296 298.7862 -340.2968 -298.5649 760542.1503 -8.1762 -8.1940 PRESSURE: 984000 89.855 -185.733 -141.311 -185.733 -251.564 -155.436 -141.312 -155.436 158.596 GPRESSURE: 984000 139.62 -328.002 -146.625 -176.024 -143.601 -169.575 -89.7959 -65.3983 80.0696 PRESSAVG: 984000 -46.3744 -53.6885 -36.4804 -53.6885 37.1841 -14.3916 -36.4804 -14.3915 -10.0526 GPRESSAVG: 984000 -46.5964 -52.9953 -35.2034 -53.9638 37.685 -13.9232 -38.266 -14.782 -10.2336 TIMING: 984000 CPU: 3172.07, 0.00317793/step Wall: 3172.07, 0.00317793/step, 3.54516 hours remaining, 231.281250 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: 984000 4011.5633 20312.2008 14507.3720 234.7001 -203313.9209 2611.7444 0.0000 0.0000 51898.2227 -109738.1177 298.2598 -161636.3404 -109364.6666 298.7419 -1.0378 25.3630 761768.0528 -6.4143 -6.3817 PRESSURE: 984200 474.564 -142.908 -199.433 -142.907 482.206 -183.572 -199.432 -183.571 284.768 GPRESSURE: 984200 392.239 -89.7803 -207.538 -234.248 573.376 -188.465 -239.28 -150.611 357.92 PRESSAVG: 984200 -5.06966 -30.0553 -17.9852 -30.0552 29.0538 -32.3664 -17.9852 -32.3665 23.0269 GPRESSAVG: 984200 -4.8642 -27.9748 -18.9784 -30.3797 27.653 -31.8395 -16.8538 -33.2968 23.9958 TIMING: 984200 CPU: 3172.7, 0.00317892/step Wall: 3172.7, 0.00317893/step, 3.54609 hours remaining, 231.281250 MB of memory in use. ENERGY: 984200 3966.5148 20425.3481 14463.0973 248.8043 -204006.3343 2998.2972 0.0000 0.0000 51826.6282 -110077.6443 297.8483 -161904.2725 -109720.1625 298.1814 413.8460 441.1781 759923.1471 15.6703 15.5949 LDB: ============= START OF LOAD BALANCING ============== 3185.13 LDB: ============== END OF LOAD BALANCING =============== 3185.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3185.13 LDB: ============= START OF LOAD BALANCING ============== 3185.45 LDB: Largest compute 7075 load 0.036295 is 18.6% of average load 0.195527 LDB: Average compute 0.004417 is 2.3% of average load 0.195527 LDB: TIME 3185.45 LOAD: AVG 0.195527 MAX 0.215583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.309 MB LDB: TIME 3185.45 LOAD: AVG 0.195527 MAX 0.215583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.512 MB LDB: TIME 3185.45 LOAD: AVG 0.195527 MAX 0.215583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.512 MB LDB: ============== END OF LOAD BALANCING =============== 3185.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3185.46 PRESSURE: 984400 -202.689 42.4504 -162.112 42.4501 55.2073 36.8089 -162.112 36.8091 -187.321 GPRESSURE: 984400 -156.236 -15.3168 -111.211 44.2469 105.163 85.7902 -211.717 80.0557 -216.12 PRESSAVG: 984400 9.47553 -61.6006 -38.2721 -61.6006 -14.0411 -21.0424 -38.2721 -21.0424 -24.7299 GPRESSAVG: 984400 7.54833 -63.1089 -36.5401 -61.6195 -12.5937 -21.4841 -39.3173 -20.5857 -24.6681 TIMING: 984400 CPU: 3173.35, 0.00324516/step Wall: 3173.35, 0.00324516/step, 3.6198 hours remaining, 231.332031 MB of memory in use. ENERGY: 984400 3948.8112 20464.9991 14495.6647 247.2460 -203362.2966 2496.1878 0.0000 0.0000 51633.9553 -110075.4325 296.7411 -161709.3878 -109718.4087 298.2086 -111.6009 -89.0640 761021.0613 -9.7652 -9.9045 PRESSURE: 984600 203.077 -26.9291 54.8757 -26.9284 195.715 63.2635 54.8745 63.2635 -420.663 GPRESSURE: 984600 113.425 -127.099 38.2311 -64.5947 330.4 164.483 119.579 90.7961 -397.98 PRESSAVG: 984600 -52.5555 9.75443 -57.4342 9.75442 36.4821 17.6848 -57.4342 17.6849 -11.727 GPRESSAVG: 984600 -50.3359 8.20658 -59.4247 8.88272 37.0319 19.6271 -54.5257 16.7472 -14.1943 TIMING: 984600 CPU: 3173.99, 0.00319008/step Wall: 3173.99, 0.00319008/step, 3.55818 hours remaining, 231.894531 MB of memory in use. ENERGY: 984600 3956.8876 20437.8754 14553.5095 238.2571 -203685.0884 2815.0627 0.0000 0.0000 51502.4622 -110181.0339 295.9854 -161683.4961 -109828.4342 297.5569 -7.2900 15.2819 761360.4528 -9.2668 -9.1661 PRESSURE: 984800 241.556 -206.541 -188.547 -206.54 11.1028 45.4039 -188.546 45.4042 -70.7017 GPRESSURE: 984800 287.884 -212.274 -210.77 -292.799 58.989 31.6483 -148.069 60.48 -90.3326 PRESSAVG: 984800 16.4474 -58.6934 -8.82482 -58.6934 1.62172 19.7341 -8.82481 19.7341 7.26636 GPRESSAVG: 984800 15.7164 -58.6619 -7.70715 -58.2972 0.33707 18.0228 -11.9485 21.2253 9.47045 TIMING: 984800 CPU: 3174.63, 0.0031976/step Wall: 3174.63, 0.0031976/step, 3.56639 hours remaining, 231.894531 MB of memory in use. ENERGY: 984800 3953.7538 20408.1958 14512.3182 255.8536 -203889.6905 2787.0242 0.0000 0.0000 51850.5154 -110122.0295 297.9856 -161972.5449 -109758.4503 297.8922 60.6523 85.5134 759888.5651 8.4451 8.5080 PRESSURE: 985000 -82.6826 337.69 -181.191 337.691 164.623 -41.197 -181.191 -41.1973 138.848 GPRESSURE: 985000 -19.8252 234.214 -188.842 342.669 191.708 -14.3411 -94.198 -84.2467 154.68 PRESSAVG: 985000 -26.4646 -18.6223 -62.7271 -18.6223 67.3908 35.699 -62.7271 35.699 -11.3668 GPRESSAVG: 985000 -24.7777 -18.6331 -62.9145 -16.8858 67.1025 36.2178 -61.7309 34.8774 -12.8637 TIMING: 985000 CPU: 3175.27, 0.00321165/step Wall: 3175.27, 0.00321165/step, 3.58188 hours remaining, 231.894531 MB of memory in use. ENERGY: 985000 3995.8587 20291.8671 14499.5730 239.4856 -203370.2356 2409.3410 0.0000 0.0000 51818.2052 -110115.9050 297.7999 -161934.1102 -109755.5408 297.9638 73.5961 108.8543 760169.7375 9.8531 9.8204 PRESSURE: 985200 44.8994 172.382 -42.5316 172.382 -298.173 -276.324 -42.5304 -276.324 -107.534 GPRESSURE: 985200 136.086 69.5469 -36.8814 44.8735 -207.025 -275.456 88.5631 -240.044 -156.554 PRESSAVG: 985200 -32.0545 -9.67337 -99.8589 -9.6734 54.6527 -10.8246 -99.8589 -10.8247 -7.7363 GPRESSAVG: 985200 -32.3312 -9.56219 -101.11 -10.7291 55.4039 -10.8733 -99.355 -10.5407 -7.90822 TIMING: 985200 CPU: 3175.91, 0.00317561/step Wall: 3175.91, 0.00317561/step, 3.54151 hours remaining, 231.894531 MB of memory in use. ENERGY: 985200 3936.0314 20333.1346 14477.1781 253.5285 -203654.3948 2478.2175 0.0000 0.0000 52111.8633 -110064.4413 299.4876 -162176.3047 -109715.0015 298.1302 -120.2690 -75.8309 759885.4110 4.9540 5.0548 PRESSURE: 985400 -176.046 -117.151 -42.8643 -117.151 -45.496 210.468 -42.8636 210.468 -454.725 GPRESSURE: 985400 -129.49 -71.1449 24.9199 -52.7512 -38.8306 163.585 -21.5332 234.465 -407.28 PRESSAVG: 985400 -9.83374 -13.724 7.85725 -13.7239 52.1736 -12.5284 7.85725 -12.5285 9.77048 GPRESSAVG: 985400 -10.8941 -13.2707 9.76097 -14.3757 50.2247 -11.1196 7.67038 -14.5262 11.8413 TIMING: 985400 CPU: 3176.54, 0.00317894/step Wall: 3176.54, 0.00317894/step, 3.54505 hours remaining, 231.894531 MB of memory in use. ENERGY: 985400 3959.7706 20408.5219 14454.0376 233.5566 -203691.3846 2664.9233 0.0000 0.0000 51770.1109 -110200.4637 297.5235 -161970.5746 -109833.9667 297.9767 -225.4223 -191.8669 760840.6379 17.3701 17.0573 PRESSURE: 985600 108.186 98.6141 73.6723 98.6138 7.79461 -185.964 73.6721 -185.963 -21.3955 GPRESSURE: 985600 108.569 151.275 81.2704 -13.8603 162.055 -175.382 -25.2262 -3.0553 -86.8205 PRESSAVG: 985600 -4.89213 -26.8195 8.18024 -26.8195 16.9858 -31.2204 8.18029 -31.2205 -21.2696 GPRESSAVG: 985600 -5.321 -28.3424 6.26592 -26.5807 19.174 -32.7132 6.88316 -29.8919 -23.7043 TIMING: 985600 CPU: 3177.18, 0.00319108/step Wall: 3177.18, 0.00319108/step, 3.55841 hours remaining, 231.894531 MB of memory in use. ENERGY: 985600 4027.2679 20532.6583 14457.4796 241.0788 -203847.3372 2619.6769 0.0000 0.0000 51811.9100 -110157.2657 297.7638 -161969.1757 -109803.9596 297.9922 31.5283 61.2681 759408.2612 -3.0586 -3.2838 PRESSURE: 985800 -111.239 -38.3757 216.327 -38.3762 -151.949 49.4325 216.327 49.4322 426.98 GPRESSURE: 985800 -42.9036 -50.7034 234.135 -3.63434 -155.462 13.544 155.574 20.1342 445.086 PRESSAVG: 985800 5.09632 -4.93795 -2.88158 -4.93786 85.4552 5.2976 -2.88156 5.29755 -0.495155 GPRESSAVG: 985800 5.91425 -3.19133 -1.78132 -5.35751 83.908 5.53885 -3.23678 6.30909 0.532365 TIMING: 985800 CPU: 3177.82, 0.00321553/step Wall: 3177.82, 0.00321553/step, 3.5855 hours remaining, 231.894531 MB of memory in use. ENERGY: 985800 3968.4544 20465.8927 14452.9869 240.9750 -203575.8385 2546.2775 0.0000 0.0000 51668.5705 -110232.6815 296.9400 -161901.2520 -109866.1471 297.6048 54.5972 82.2402 760661.2086 30.0188 30.1182 PRESSURE: 986000 -106.504 38.5465 -212.483 38.5475 -15.6824 36.0172 -212.482 36.0165 -287.332 GPRESSURE: 986000 9.62777 -43.136 -220.887 84.2429 -10.3972 -15.7131 -158.435 65.4587 -305.802 PRESSAVG: 986000 -14.1581 12.289 -10.8086 12.2891 6.35594 -22.0738 -10.8085 -22.0738 -4.14693 GPRESSAVG: 986000 -13.3995 11.0378 -10.5915 14.13 6.332 -21.6335 -8.17266 -22.036 -4.67011 TIMING: 986000 CPU: 3178.46, 0.00317625/step Wall: 3178.46, 0.00317625/step, 3.54152 hours remaining, 231.894531 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: 986000 3947.0613 20276.9359 14395.5001 258.7662 -203549.4494 2531.6331 0.0000 0.0000 52074.3986 -110065.1541 299.2723 -162139.5527 -109697.2843 298.0201 -136.5061 -102.1904 760703.0070 -3.9830 -3.9125 PRESSURE: 986200 -302.321 53.4444 -196.322 53.4448 75.5146 189.187 -196.321 189.188 119.702 GPRESSURE: 986200 -186.456 58.5194 -216.589 42.3747 60.5273 191.591 -284.529 179.051 99.3085 PRESSAVG: 986200 7.92901 32.2195 -66.3563 32.2195 -2.44378 -20.656 -66.3563 -20.6559 23.951 GPRESSAVG: 986200 6.61903 31.8612 -67.4714 31.8333 -2.2171 -20.8043 -65.4491 -20.373 24.8644 TIMING: 986200 CPU: 3179.1, 0.00318451/step Wall: 3179.1, 0.00318451/step, 3.55055 hours remaining, 231.894531 MB of memory in use. ENERGY: 986200 3955.1536 20394.1650 14418.5753 240.6889 -203370.1518 2669.0381 0.0000 0.0000 51901.2892 -109791.2417 298.2774 -161692.5309 -109435.5912 298.0706 -35.7013 -8.8734 762091.7252 9.8121 9.7554 PRESSURE: 986400 -155.969 134.644 85.6501 134.644 36.2781 -50.1589 85.6504 -50.1585 60.7435 GPRESSURE: 986400 -102.096 136.102 143.626 109.854 85.7667 -74.9161 30.0648 -83.9229 23.2595 PRESSAVG: 986400 9.2225 -26.3046 -27.9001 -26.3046 24.1537 -16.2379 -27.9 -16.2379 -11.5857 GPRESSAVG: 986400 9.50702 -25.6758 -26.1311 -26.7825 24.5313 -15.5281 -30.7615 -17.2507 -12.093 TIMING: 986400 CPU: 3179.73, 0.00316334/step Wall: 3179.73, 0.00316334/step, 3.52678 hours remaining, 232.097656 MB of memory in use. ENERGY: 986400 3969.8748 20479.4607 14444.3908 242.7334 -203563.4513 2617.3159 0.0000 0.0000 51902.1134 -109907.5623 298.2822 -161809.6756 -109549.5892 298.3688 -19.6490 2.3100 760944.2351 7.2635 7.3151 PRESSURE: 986600 -38.2531 38.9903 -26.8056 38.9906 147.847 131.859 -26.8069 131.858 144.475 GPRESSURE: 986600 -67.3398 36.2661 122.079 77.7284 295.254 112.205 -93.8193 263.227 107.93 PRESSAVG: 986600 -16.8265 28.2775 65.9918 28.2775 20.1873 30.6031 65.9918 30.6031 -13.3662 GPRESSAVG: 986600 -18.9672 29.5934 65.0846 28.7493 21.2346 28.1518 66.267 32.8689 -12.3135 TIMING: 986600 CPU: 3180.36, 0.00316632/step Wall: 3180.36, 0.00316632/step, 3.52992 hours remaining, 232.097656 MB of memory in use. ENERGY: 986600 3927.7773 20376.9054 14417.4454 232.9885 -203478.2686 2796.9115 0.0000 0.0000 51838.6879 -109887.5526 297.9177 -161726.2404 -109534.2267 298.2620 84.6896 111.9478 762614.7009 -3.3351 -3.3487 PRESSURE: 986800 -313.257 -40.4487 -162.976 -40.4489 -286.883 63.4619 -162.977 63.4624 -41.103 GPRESSURE: 986800 -270.838 52.1936 -148.793 -39.1732 -277.405 36.4119 -182.885 16.0625 -4.68577 PRESSAVG: 986800 -4.32388 -23.6836 -24.6334 -23.6836 -3.88446 -8.30061 -24.6333 -8.30059 10.622 GPRESSAVG: 986800 -2.52104 -23.6978 -22.5537 -23.4996 -4.23993 -7.19073 -24.9416 -10.5693 9.61869 TIMING: 986800 CPU: 3181, 0.0031733/step Wall: 3181, 0.0031733/step, 3.53752 hours remaining, 232.097656 MB of memory in use. ENERGY: 986800 3990.2978 20358.4875 14426.6684 250.6259 -203563.9033 2614.6627 0.0000 0.0000 51886.4047 -110036.7564 298.1919 -161923.1610 -109685.6470 298.1395 -213.7478 -184.3098 761228.0754 0.8046 0.9526 PRESSURE: 987000 22.5456 -113.179 314.472 -113.18 174.43 -39.3845 314.472 -39.3837 63.6531 GPRESSURE: 987000 83.6879 -159.926 218.406 -67.6819 130.98 -1.43737 266.633 -67.2611 124.755 PRESSAVG: 987000 11.5972 -63.0466 -55.3426 -63.0466 -45.837 -24.5157 -55.3427 -24.5157 -0.184884 GPRESSAVG: 987000 11.6579 -63.6524 -57.7074 -62.8313 -46.2046 -23.417 -54.3474 -22.9535 0.362574 TIMING: 987000 CPU: 3181.63, 0.00318909/step Wall: 3181.63, 0.00318909/step, 3.55495 hours remaining, 232.097656 MB of memory in use. ENERGY: 987000 3932.7380 20616.8969 14419.7400 244.6911 -203721.7962 2600.9992 0.0000 0.0000 52113.0476 -109793.6835 299.4944 -161906.7311 -109441.3915 298.0761 86.8760 113.1410 761085.8875 -11.4749 -11.3947 PRESSURE: 987200 114.461 -6.44787 -141.783 -6.4469 254.96 -45.2558 -141.783 -45.2557 246.802 GPRESSURE: 987200 128.25 8.99686 -158.553 -31.7724 334.765 -149.997 -144.552 170.851 225.418 PRESSAVG: 987200 4.18683 -14.0163 -40.4386 -14.0164 -12.5791 35.208 -40.4386 35.2079 -8.18096 GPRESSAVG: 987200 4.90781 -13.1043 -39.5622 -13.3646 -13.872 34.7459 -38.8169 34.5745 -8.00397 TIMING: 987200 CPU: 3182.28, 0.00322293/step Wall: 3182.28, 0.00322293/step, 3.59249 hours remaining, 232.097656 MB of memory in use. ENERGY: 987200 4016.1918 20523.7024 14502.4735 232.9863 -203448.3919 2753.6537 0.0000 0.0000 51871.0830 -109548.3012 298.1038 -161419.3842 -109184.6011 299.2764 205.4076 229.4778 760557.4974 -5.5244 -5.6561 PRESSURE: 987400 1.73993 -115.724 -47.9413 -115.723 -231.403 -122.819 -47.9424 -122.818 630.885 GPRESSURE: 987400 21.9553 -56.3515 11.2959 -145.852 -141.281 -92.9983 1.64389 -17.6516 617.995 PRESSAVG: 987400 -17.8761 -49.3895 -15.2009 -49.3895 38.2626 -33.8985 -15.2009 -33.8985 1.75402 GPRESSAVG: 987400 -17.6027 -49.375 -15.1998 -50.1859 39.5827 -34.6632 -14.6052 -35.288 0.706876 TIMING: 987400 CPU: 3182.91, 0.00318218/step Wall: 3182.91, 0.00318218/step, 3.54689 hours remaining, 232.097656 MB of memory in use. ENERGY: 987400 3965.5955 20553.3713 14501.5420 244.9302 -203431.0042 2583.8926 0.0000 0.0000 52259.8838 -109321.7889 300.3383 -161581.6727 -108967.5914 299.3810 133.7407 166.2231 761688.3835 7.3802 7.5623 PRESSURE: 987600 9.20426 -121.449 194.001 -121.448 254.892 345.583 194.001 345.584 -385.621 GPRESSURE: 987600 53.4894 -265.473 283.518 -56.6203 250.122 391.176 214.964 253.192 -359.337 PRESSAVG: 987600 -30.1758 -41.8469 7.40808 -41.8468 -1.24848 -5.41388 7.40813 -5.41395 -16.0649 GPRESSAVG: 987600 -30.7814 -40.6739 7.92344 -41.0993 -1.0242 -5.07948 5.67599 -3.7715 -15.8746 TIMING: 987600 CPU: 3183.55, 0.00317669/step Wall: 3183.55, 0.00317669/step, 3.5406 hours remaining, 232.097656 MB of memory in use. ENERGY: 987600 4037.1953 20582.7628 14490.0237 252.3801 -203742.4149 2726.9595 0.0000 0.0000 52411.3378 -109241.7557 301.2087 -161653.0936 -108886.7208 300.1349 -40.5082 -18.5750 761662.9489 -15.8297 -15.8934 PRESSURE: 987800 -107.794 -399.716 -42.0827 -399.716 -142.123 -6.90601 -42.0827 -6.9063 153.751 GPRESSURE: 987800 -101.334 -303.963 -37.7149 -250.615 -61.8795 97.0384 -19.8668 -68.879 137.052 PRESSAVG: 987800 28.5991 -2.16404 -24.4223 -2.16399 8.57792 -11.8113 -24.4223 -11.8113 -5.46413 GPRESSAVG: 987800 29.1712 -3.36848 -24.7559 -3.07095 9.80868 -12.7635 -25.0861 -10.8732 -7.1084 TIMING: 987800 CPU: 3184.19, 0.0031869/step Wall: 3184.19, 0.0031869/step, 3.5518 hours remaining, 232.097656 MB of memory in use. ENERGY: 987800 3964.6591 20636.7261 14494.6242 263.0310 -203491.6511 2646.6859 0.0000 0.0000 52057.4072 -109428.5176 299.1746 -161485.9248 -109060.0235 299.9869 -32.0553 -8.7206 762022.9408 10.5710 10.6238 PRESSURE: 988000 -128.134 174.342 -29.9083 174.342 -48.3412 192.688 -29.9074 192.688 -82.1703 GPRESSURE: 988000 -31.8527 118.469 42.772 135.749 -77.7556 103.397 -172.952 224.985 -78.25 PRESSAVG: 988000 33.1897 -60.1005 -19.2248 -60.1005 -39.3439 -0.250091 -19.2249 -0.250103 0.96134 GPRESSAVG: 988000 33.0025 -58.6853 -18.6949 -62.5537 -40.6968 -0.491815 -17.4172 -1.29829 2.52077 TIMING: 988000 CPU: 3184.83, 0.00319061/step Wall: 3184.83, 0.00319061/step, 3.55576 hours remaining, 232.097656 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: 988000 4041.4902 20605.7261 14416.6778 244.8198 -203540.4036 2768.3212 0.0000 0.0000 52019.3620 -109444.0065 298.9560 -161463.3685 -109082.5963 299.3621 -86.2152 -62.6194 762915.6468 -1.7309 -1.7245 PRESSURE: 988200 -69.7001 -228.032 137.275 -228.032 211.973 -43.9737 137.274 -43.9743 90.9112 GPRESSURE: 988200 0.533329 -194.811 101.671 -71.0212 183.406 6.62934 198.295 -115.097 133.268 PRESSAVG: 988200 -10.8989 -37.3176 73.397 -37.3176 -10.4562 -7.50057 73.397 -7.5006 8.06126 GPRESSAVG: 988200 -11.241 -38.2004 72.9816 -35.3402 -9.87095 -4.67626 74.6675 -7.74206 8.27935 TIMING: 988200 CPU: 3185.46, 0.00318283/step Wall: 3185.46, 0.00318283/step, 3.54691 hours remaining, 232.097656 MB of memory in use. ENERGY: 988200 4000.3975 20557.5693 14496.4252 231.9403 -203638.3893 2857.4004 0.0000 0.0000 52137.0295 -109357.6272 299.6322 -161494.6567 -108994.0864 300.0127 77.7279 105.7359 760524.1899 -4.4313 -4.2775 LDB: ============= START OF LOAD BALANCING ============== 3197.89 LDB: ============== END OF LOAD BALANCING =============== 3197.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3197.89 LDB: ============= START OF LOAD BALANCING ============== 3198.21 LDB: Largest compute 7069 load 0.038913 is 19.9% of average load 0.195526 LDB: Average compute 0.004421 is 2.3% of average load 0.195526 LDB: TIME 3198.21 LOAD: AVG 0.195526 MAX 0.218142 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3198.21 LOAD: AVG 0.195526 MAX 0.218142 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: TIME 3198.21 LOAD: AVG 0.195526 MAX 0.218142 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: ============== END OF LOAD BALANCING =============== 3198.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.22 PRESSURE: 988400 -38.7241 113.776 -22.5717 113.776 340.542 -21.6821 -22.5721 -21.6812 184.804 GPRESSURE: 988400 148.961 -29.2243 -14.3527 121.625 327.662 -93.0177 -42.7186 25.7115 94.6119 PRESSAVG: 988400 -8.14688 -4.48905 -16.9146 -4.48908 41.0217 -36.9289 -16.9145 -36.9289 12.6624 GPRESSAVG: 988400 -8.79373 -5.78729 -18.0664 -2.88419 40.9087 -38.4785 -17.7524 -37.5042 13.5065 TIMING: 988400 CPU: 3186.11, 0.00326372/step Wall: 3186.11, 0.00326372/step, 3.63687 hours remaining, 231.128906 MB of memory in use. ENERGY: 988400 4023.7264 20577.4775 14461.9452 243.3488 -203725.1224 2724.0229 0.0000 0.0000 52110.8977 -109583.7039 299.4820 -161694.6017 -109233.2424 299.8333 162.2076 190.4117 758792.7388 15.1791 15.2072 PRESSURE: 988600 13.6636 21.7033 151.365 21.7039 -85.6968 345.272 151.366 345.273 256.8 GPRESSURE: 988600 -2.86304 38.2685 157.193 19.4003 32.8101 314.791 146.413 177.085 243.738 PRESSAVG: 988600 27.6217 27.0082 9.60787 27.0081 -25.6674 -18.8462 9.60795 -18.8463 -4.74721 GPRESSAVG: 988600 28.4246 27.343 10.1544 23.7191 -25.13 -18.1847 8.56884 -19.221 -5.55978 TIMING: 988600 CPU: 3186.75, 0.00317961/step Wall: 3186.75, 0.00317961/step, 3.54296 hours remaining, 231.453125 MB of memory in use. ENERGY: 988600 4043.2311 20342.9310 14485.5038 247.0617 -203326.6334 2401.7670 0.0000 0.0000 52142.5929 -109663.5460 299.6642 -161806.1389 -109294.1289 298.8328 61.5889 91.2283 760114.6709 -0.9310 -0.7551 PRESSURE: 988800 -113.931 -137.341 -137.955 -137.341 123.108 -168.278 -137.956 -168.278 -485.947 GPRESSURE: 988800 -71.5501 -83.3736 -179.666 -130.837 201.643 -144.228 -69.114 -163.353 -520.516 PRESSAVG: 988800 11.9726 81.6157 -2.05245 81.6158 -26.1613 -3.29688 -2.05242 -3.2969 -14.7101 GPRESSAVG: 988800 12.2779 83.6405 -2.23081 84.5221 -26.5366 -3.07025 -1.36307 -1.9693 -14.5775 TIMING: 988800 CPU: 3187.39, 0.0031771/step Wall: 3187.39, 0.0031771/step, 3.54 hours remaining, 231.453125 MB of memory in use. ENERGY: 988800 3993.1849 20629.9691 14484.3143 237.1912 -203425.3325 2562.0658 0.0000 0.0000 51885.5723 -109633.0349 298.1871 -161518.6073 -109270.4319 299.0482 -158.9233 -130.1410 763617.4288 -9.6330 -9.6121 PRESSURE: 989000 -95.8354 189.772 64.7904 189.771 -596.917 -22.3573 64.7913 -22.3571 111.46 GPRESSURE: 989000 -179.398 164.082 -18.2939 182.781 -391.388 -51.9323 58.0778 40.9541 50.0364 PRESSAVG: 989000 -24.5006 -4.42716 34.0055 -4.42718 -35.7662 3.72771 34.0055 3.72773 -7.37476 GPRESSAVG: 989000 -24.244 -4.77781 34.6087 -5.57793 -34.4491 0.805607 35.5586 5.92297 -9.56376 TIMING: 989000 CPU: 3188.03, 0.00319683/step Wall: 3188.03, 0.00319683/step, 3.5618 hours remaining, 231.691406 MB of memory in use. ENERGY: 989000 4040.4507 20524.5882 14445.6344 241.0113 -202567.1221 2078.8109 0.0000 0.0000 51785.6205 -109451.0062 297.6127 -161236.6267 -109081.3152 298.7377 -193.7642 -173.5833 762273.6287 -22.5472 -22.7523 PRESSURE: 989200 138.949 -135.112 73.1642 -135.112 -70.2227 56.0601 73.165 56.0593 273.85 GPRESSURE: 989200 191.539 -135.655 -24.851 -73.605 -36.2277 -49.3384 -109.462 100.964 262.425 PRESSAVG: 989200 24.785 18.2744 -11.0035 18.2745 -40.027 -51.7178 -11.0036 -51.7179 -17.6472 GPRESSAVG: 989200 24.9277 17.562 -11.6286 19.0954 -41.1017 -51.7465 -11.5634 -53.1514 -15.7602 TIMING: 989200 CPU: 3188.66, 0.00319283/step Wall: 3188.66, 0.00319283/step, 3.55716 hours remaining, 231.691406 MB of memory in use. ENERGY: 989200 3984.0091 20677.4425 14489.5351 264.5025 -203304.0572 2402.7070 0.0000 0.0000 52108.9390 -109376.9220 299.4708 -161485.8610 -109015.1288 299.0827 114.1920 139.2455 760583.5631 -10.9631 -10.6447 PRESSURE: 989400 68.5246 203.697 28.6839 203.698 -211.428 34.4283 28.6838 34.4291 599.868 GPRESSURE: 989400 150.885 183.452 42.6079 232.249 -171.308 58.7426 116.275 54.6261 562.853 PRESSAVG: 989400 19.0274 -20.9637 59.2192 -20.9637 -19.5683 19.5096 59.2192 19.5096 17.5005 GPRESSAVG: 989400 19.014 -19.4706 61.6194 -22.1594 -19.5859 20.8156 56.8955 16.404 17.9553 TIMING: 989400 CPU: 3189.3, 0.00318334/step Wall: 3189.3, 0.00318334/step, 3.54642 hours remaining, 231.894531 MB of memory in use. ENERGY: 989400 4053.6906 20594.3870 14490.8896 249.1941 -203587.9617 2507.0268 0.0000 0.0000 52399.9110 -109292.8627 301.1430 -161692.7737 -108925.6886 299.7342 152.3213 180.8098 760844.2496 5.6532 5.7945 PRESSURE: 989600 267.971 -80.6027 35.6524 -80.6033 344.6 -189.031 35.6522 -189.032 -156.093 GPRESSURE: 989600 240.774 -100.936 99.7407 -86.2739 403.999 -49.7216 -9.7775 -62.0206 -85.2674 PRESSAVG: 989600 -27.9725 -84.0336 -10.7395 -84.0337 32.6264 -1.38487 -10.7394 -1.38487 -6.45881 GPRESSAVG: 989600 -28.2912 -83.9718 -10.6993 -84.333 32.3399 -1.9 -9.79754 1.13925 -5.81725 TIMING: 989600 CPU: 3189.93, 0.00316616/step Wall: 3189.93, 0.00316616/step, 3.5271 hours remaining, 231.894531 MB of memory in use. ENERGY: 989600 4059.8161 20650.9808 14515.8068 254.5951 -203348.8815 2711.3031 0.0000 0.0000 51839.4130 -109316.9665 297.9218 -161156.3795 -108959.6694 300.0247 152.1593 186.5018 760781.0812 -0.6017 -0.5895 PRESSURE: 989800 34.097 3.79919 -29.1813 3.79913 -316.742 -214.277 -29.1818 -214.278 -302.539 GPRESSURE: 989800 26.2176 44.4393 -135.545 -84.2333 -211.646 -182.203 160.174 -309.58 -304.133 PRESSAVG: 989800 40.1695 -11.0914 51.3182 -11.0914 -50.3514 35.7742 51.3181 35.7743 22.2094 GPRESSAVG: 989800 40.4603 -10.7446 50.0122 -11.7315 -51.124 37.654 50.8886 33.9855 22.132 TIMING: 989800 CPU: 3190.57, 0.0031956/step Wall: 3190.57, 0.0031956/step, 3.55972 hours remaining, 231.894531 MB of memory in use. ENERGY: 989800 4041.4646 20453.7465 14468.6850 232.1611 -202999.3303 2110.2079 0.0000 0.0000 52444.6273 -109248.4379 301.4000 -161693.0652 -108877.6653 299.6380 -195.0614 -163.1873 759282.9215 4.0092 3.8228 PRESSURE: 990000 -251.037 11.3558 100.428 11.3552 304.546 -39.8882 100.429 -39.8888 0.712618 GPRESSURE: 990000 -179.852 -114.578 109.443 66.2803 280.639 -83.4897 129.311 60.785 67.9601 PRESSAVG: 990000 12.6085 -0.111904 -5.05786 -0.11196 28.8497 -13.8826 -5.05793 -13.8827 7.32754 GPRESSAVG: 990000 11.2234 -1.5535 -5.32141 0.394871 29.6807 -15.9214 -3.6154 -14.155 7.78929 TIMING: 990000 CPU: 3191.21, 0.00319244/step Wall: 3191.21, 0.00319244/step, 3.55602 hours remaining, 231.894531 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: 990000 3963.1698 20452.1994 14462.3952 234.0655 -203376.9259 2574.9984 0.0000 0.0000 52274.3905 -109415.7070 300.4216 -161690.0975 -109034.5341 299.9067 18.0741 56.2490 759820.7519 16.2619 16.2311 PRESSURE: 990200 -129.473 54.0308 52.9321 54.0312 90.5411 -192.935 52.9327 -192.935 119.73 GPRESSURE: 990200 -82.4172 -31.6073 150.561 78.1293 93.1039 -173.576 -39.3009 -195.99 146.902 PRESSAVG: 990200 -33.565 -17.591 -42.1672 -17.591 14.3855 -24.1988 -42.1671 -24.1987 12.1003 GPRESSAVG: 990200 -33.685 -18.9108 -42.9814 -16.0143 15.1879 -25.3011 -44.4442 -22.4734 11.9044 TIMING: 990200 CPU: 3191.85, 0.00319439/step Wall: 3191.85, 0.00319439/step, 3.55802 hours remaining, 231.894531 MB of memory in use. ENERGY: 990200 3945.7781 20442.1536 14525.7231 247.3394 -203362.9264 2636.7874 0.0000 0.0000 52117.1897 -109447.9551 299.5182 -161565.1448 -109089.6513 299.6402 26.9327 52.5294 760036.1668 -2.3597 -2.1976 PRESSURE: 990400 -12.5085 182.889 149.761 182.889 32.4254 136.008 149.761 136.007 -129.959 GPRESSURE: 990400 -12.6982 72.1832 13.5368 140.735 93.7759 100.322 71.6323 25.1677 -107.961 PRESSAVG: 990400 -13.2138 -12.4123 34.9495 -12.4123 32.4711 -25.7519 34.9495 -25.7519 29.0234 GPRESSAVG: 990400 -12.5509 -12.0209 33.9904 -13.0611 32.8898 -25.18 36.0181 -25.1262 28.6129 TIMING: 990400 CPU: 3192.49, 0.00320567/step Wall: 3192.49, 0.00320567/step, 3.57041 hours remaining, 231.894531 MB of memory in use. ENERGY: 990400 3934.5445 20610.9984 14478.4939 235.9302 -203400.3318 2411.1966 0.0000 0.0000 52096.5138 -109632.6543 299.3994 -161729.1681 -109268.1791 299.0511 -36.6807 -8.9609 758307.5926 16.0936 16.3173 PRESSURE: 990600 213.128 51.7387 -64.4885 51.739 259.124 -130.994 -64.4884 -130.994 -43.178 GPRESSURE: 990600 269.152 -21.4663 28.2956 14.9124 206.378 -113.338 -108.407 -45.7906 39.5006 PRESSAVG: 990600 -22.9408 -29.4962 -9.45527 -29.4962 24.4176 12.9388 -9.45523 12.9388 -30.3733 GPRESSAVG: 990600 -23.8302 -28.423 -8.07613 -30.3432 24.6231 13.6577 -9.29725 12.6248 -29.9842 TIMING: 990600 CPU: 3193.13, 0.0031698/step Wall: 3193.13, 0.0031698/step, 3.53028 hours remaining, 231.894531 MB of memory in use. ENERGY: 990600 3997.2040 20697.3240 14470.6456 237.6219 -203572.0578 2473.8568 0.0000 0.0000 52015.9228 -109679.4828 298.9362 -161695.4056 -109326.7504 299.1871 143.0245 171.6770 758979.0139 -9.6322 -9.7304 PRESSURE: 990800 -140.956 26.1042 -43.742 26.1039 30.725 199.96 -43.7424 199.959 -88.4817 GPRESSURE: 990800 -52.5535 59.1824 8.16659 -29.4078 39.7735 208.06 -86.6931 132.935 -98.6953 PRESSAVG: 990800 -42.0321 7.85808 -32.1849 7.85806 20.9545 -14.579 -32.1848 -14.579 12.089 GPRESSAVG: 990800 -40.3459 9.06393 -33.3234 5.61163 20.1952 -15.2057 -29.9292 -14.9891 11.1818 TIMING: 990800 CPU: 3193.76, 0.00318893/step Wall: 3193.76, 0.00318893/step, 3.55141 hours remaining, 231.894531 MB of memory in use. ENERGY: 990800 3979.7309 20347.8666 14548.5054 260.7510 -203429.7850 2485.8722 0.0000 0.0000 51993.8625 -109813.1964 298.8094 -161807.0589 -109458.0515 299.1035 -66.2374 -37.1585 759508.3163 -2.9962 -2.9896 PRESSURE: 991000 179.341 74.6845 -142.262 74.685 -106.218 10.1723 -142.261 10.1736 -121.883 GPRESSURE: 991000 159.304 39.4527 -97.9545 24.7424 -98.4875 -114.458 -241.159 -84.0994 -7.51903 PRESSAVG: 991000 16.8736 43.8473 -8.5603 43.8473 10.7255 -12.5635 -8.56029 -12.5636 -7.49548 GPRESSAVG: 991000 15.4167 41.509 -7.65169 47.2249 11.0252 -10.7878 -12.4062 -13.2532 -6.34863 TIMING: 991000 CPU: 3194.4, 0.00319392/step Wall: 3194.4, 0.00319392/step, 3.55679 hours remaining, 231.894531 MB of memory in use. ENERGY: 991000 4001.6154 20593.7545 14454.8627 218.9583 -203849.6011 2847.4070 0.0000 0.0000 51989.9447 -109743.0584 298.7869 -161733.0031 -109384.5366 298.4943 -16.2534 17.7657 758881.8654 6.7012 6.6977 PRESSURE: 991200 248.386 99.4462 -44.395 99.4461 -120.373 130.295 -44.3954 130.294 41.8443 GPRESSURE: 991200 260.652 -1.24999 -104.13 79.4352 -53.2106 101.754 -14.1215 14.3563 61.2086 PRESSAVG: 991200 -16.3801 39.1974 20.2929 39.1974 -38.9605 -37.8128 20.2928 -37.8128 17.7854 GPRESSAVG: 991200 -16.4316 39.0803 20.901 37.2206 -37.3698 -38.2745 22.5567 -40.1106 16.095 TIMING: 991200 CPU: 3195.04, 0.00318263/step Wall: 3195.04, 0.00318263/step, 3.54403 hours remaining, 231.894531 MB of memory in use. ENERGY: 991200 3969.7308 20498.9360 14490.9671 251.2777 -203953.7354 2794.9915 0.0000 0.0000 52087.8119 -109860.0205 299.3494 -161947.8324 -109493.1317 298.2603 56.6188 89.5501 759284.3673 -12.5184 -12.5688 PRESSURE: 991400 -216.576 91.224 -105.223 91.2243 261.266 -174.869 -105.222 -174.87 -34.1746 GPRESSURE: 991400 -143.331 101.761 13.0063 59.966 296.934 -116.733 -205.649 -120.617 -46.8348 PRESSAVG: 991400 -35.0905 34.0323 2.9083 34.0324 33.4578 -13.6693 2.9083 -13.6694 16.1114 GPRESSAVG: 991400 -34.0168 35.3435 3.3055 34.7732 32.2652 -13.9119 3.30062 -12.1704 16.8169 TIMING: 991400 CPU: 3195.68, 0.00319718/step Wall: 3195.68, 0.00319718/step, 3.56006 hours remaining, 231.894531 MB of memory in use. ENERGY: 991400 3956.0061 20535.9192 14433.2324 244.2959 -203466.4765 2557.7219 0.0000 0.0000 51960.6619 -109778.6392 298.6186 -161739.3011 -109418.0938 298.6968 3.5051 35.5892 760797.3790 4.8262 5.0218 PRESSURE: 991600 74.1619 52.6876 0.117281 52.6874 236.77 -14.1408 0.116696 -14.1414 173.469 GPRESSURE: 991600 157.292 92.3298 -37.0805 37.0274 217.811 -141.571 66.7116 70.4561 185.364 PRESSAVG: 991600 -38.8748 -17.5757 5.30003 -17.5757 30.9609 -16.7757 5.29999 -16.7757 3.77692 GPRESSAVG: 991600 -40.2542 -18.2963 6.03217 -17.8996 31.2074 -17.0828 6.14858 -15.6065 4.60295 TIMING: 991600 CPU: 3196.32, 0.00320525/step Wall: 3196.32, 0.00320525/step, 3.56887 hours remaining, 231.894531 MB of memory in use. ENERGY: 991600 3945.3378 20508.0671 14494.9536 242.2938 -203806.5030 2876.7067 0.0000 0.0000 51993.4216 -109745.7224 298.8069 -161739.1440 -109373.5545 298.9699 161.4668 186.8222 760322.7507 -1.3790 -1.4813 PRESSURE: 991800 -92.8685 124.805 75.0809 124.805 59.1325 -169.833 75.0803 -169.834 446.314 GPRESSURE: 991800 47.1141 107.676 -10.4619 -1.10998 101.072 -88.2866 70.4626 -152.883 354.175 PRESSAVG: 991800 20.0315 14.1427 0.488908 14.1427 10.5038 28.4782 0.4889 28.4782 13.5254 GPRESSAVG: 991800 20.9413 15.6984 -0.39639 15.2092 10.1193 29.4812 0.0149419 27.7702 13.1647 TIMING: 991800 CPU: 3196.96, 0.00319885/step Wall: 3196.96, 0.00319885/step, 3.56157 hours remaining, 231.894531 MB of memory in use. ENERGY: 991800 3910.4313 20494.2405 14508.3991 241.5535 -203588.2723 2641.9982 0.0000 0.0000 52192.7634 -109598.8863 299.9525 -161791.6498 -109232.7228 299.1143 137.5260 167.4536 760568.5603 14.6869 14.7418 PRESSURE: 992000 -93.5055 36.1497 -74.5585 36.1494 -157.49 87.3009 -74.5596 87.3002 -544.586 GPRESSURE: 992000 -9.71629 48.3308 -42.7385 106.021 -158.82 228.321 -3.84973 142.072 -535.723 PRESSAVG: 992000 -11.9363 -35.1569 -42.9888 -35.1569 35.4188 14.8411 -42.9888 14.8411 15.1814 GPRESSAVG: 992000 -12.7966 -34.3035 -43.4571 -36.3762 36.5196 14.3429 -41.4881 16.1071 15.5233 TIMING: 992000 CPU: 3197.6, 0.00318737/step Wall: 3197.6, 0.00318737/step, 3.54861 hours remaining, 231.894531 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: 992000 4009.2036 20635.3740 14516.9148 260.9822 -203365.5103 2336.2142 0.0000 0.0000 51956.2162 -109650.6052 298.5931 -161606.8214 -109282.1731 299.0947 -265.1941 -234.7532 760777.7517 12.8879 13.0821 PRESSURE: 992200 -198.991 -74.6497 393.485 -74.6489 115.213 162.226 393.485 162.227 -60.4329 GPRESSURE: 992200 -239.189 -82.7267 384.168 -34.9455 162.016 215.041 382.711 102.995 28.9286 PRESSAVG: 992200 -84.5986 -41.8089 55.3984 -41.8089 61.1609 -55.5053 55.3985 -55.5053 -3.96918 GPRESSAVG: 992200 -83.4902 -43.447 54.9214 -38.6463 59.6573 -56.1935 55.2557 -54.8166 -4.2569 TIMING: 992200 CPU: 3198.24, 0.00320592/step Wall: 3198.24, 0.00320592/step, 3.56908 hours remaining, 231.894531 MB of memory in use. ENERGY: 992200 3970.0717 20605.4361 14532.7244 264.1391 -203745.2832 2858.3405 0.0000 0.0000 51983.4597 -109531.1117 298.7497 -161514.5714 -109163.0790 298.8265 -48.0702 -16.0813 760663.0452 -9.1357 -9.3633 LDB: ============= START OF LOAD BALANCING ============== 3210.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3210.67 LDB: =============== DONE WITH MIGRATION ================ 3210.67 LDB: ============= START OF LOAD BALANCING ============== 3210.99 LDB: Largest compute 7075 load 0.036401 is 18.6% of average load 0.195459 LDB: Average compute 0.004440 is 2.3% of average load 0.195459 LDB: TIME 3210.99 LOAD: AVG 0.195459 MAX 0.217375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.102 MB LDB: TIME 3210.99 LOAD: AVG 0.195459 MAX 0.217375 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.176 MB LDB: TIME 3210.99 LOAD: AVG 0.195459 MAX 0.217375 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.176 MB LDB: ============== END OF LOAD BALANCING =============== 3210.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3211 PRESSURE: 992400 -167.61 106.205 -55.9753 106.206 182.454 183.33 -55.975 183.331 438.775 GPRESSURE: 992400 -96.3278 135.044 -27.1468 100.006 211.174 110.812 -75.3741 262.028 436.548 PRESSAVG: 992400 34.9713 32.229 56.8518 32.2289 -15.8024 47.1447 56.8518 47.1447 43.3813 GPRESSAVG: 992400 34.9945 32.7196 58.1623 29.698 -16.1334 46.8124 51.7074 47.1997 43.7783 TIMING: 992400 CPU: 3198.89, 0.0032708/step Wall: 3198.89, 0.0032708/step, 3.64113 hours remaining, 232.621094 MB of memory in use. ENERGY: 992400 3995.9478 20556.7885 14550.8575 247.7210 -203316.2948 2530.7488 0.0000 0.0000 51905.7080 -109528.5232 298.3028 -161434.2312 -109166.7431 299.2784 151.2062 183.7979 760071.8018 20.8501 20.8798 PRESSURE: 992600 -507.514 -140.16 77.7584 -140.161 -443.001 55.7387 77.7586 55.7397 -319.341 GPRESSURE: 992600 -488.943 -152.751 -19.8298 -233.056 -401.022 -5.94068 109.066 -50.3125 -314.86 PRESSAVG: 992600 -14.335 43.0765 57.6475 43.0765 32.449 40.0028 57.6475 40.0028 -15.6359 GPRESSAVG: 992600 -15.5821 43.127 55.5156 43.002 34.0541 41.527 60.2661 37.921 -15.764 TIMING: 992600 CPU: 3199.53, 0.00318996/step Wall: 3199.53, 0.00318996/step, 3.55096 hours remaining, 232.824219 MB of memory in use. ENERGY: 992600 3985.7329 20667.6654 14504.8869 227.8469 -203188.6620 2261.1197 0.0000 0.0000 52024.8826 -109516.5277 298.9877 -161541.4103 -109150.0649 298.9127 -423.2853 -401.6083 761089.9816 0.8261 0.9026 PRESSURE: 992800 -56.9741 -58.0452 -29.8986 -58.0444 -307.221 87.771 -29.8988 87.7713 -264.551 GPRESSURE: 992800 -87.8537 -108.679 -12.3034 -37.7584 -209.854 200.041 198.295 129.731 -234.784 PRESSAVG: 992800 -32.6643 -52.6809 14.8757 -52.6809 -8.20181 5.63604 14.8757 5.6361 -8.21302 GPRESSAVG: 992800 -32.4724 -52.0518 16.5668 -50.798 -8.39831 6.03911 17.2687 6.1554 -8.14895 TIMING: 992800 CPU: 3200.17, 0.00318895/step Wall: 3200.17, 0.00318895/step, 3.54966 hours remaining, 232.894531 MB of memory in use. ENERGY: 992800 4061.2831 20632.9413 14414.2809 248.4246 -203365.2160 2523.2269 0.0000 0.0000 52287.2640 -109197.7951 300.4956 -161485.0592 -108844.3679 299.9148 -209.5819 -177.4971 761212.9472 -16.3597 -16.3399 PRESSURE: 993000 142.247 -32.8031 68.2618 -32.8039 19.971 -162.606 68.2621 -162.606 -71.7556 GPRESSURE: 993000 41.2239 20.9703 48.0687 -44.7697 260.468 -223.218 90.7822 -104.51 -112.059 PRESSAVG: 993000 -19.1417 -47.1244 52.3121 -47.1244 46.3626 0.331734 52.3122 0.331597 -18.0392 GPRESSAVG: 993000 -18.8987 -46.9576 53.0958 -48.0891 46.7202 -1.25137 51.7045 1.21091 -18.827 TIMING: 993000 CPU: 3200.82, 0.00324042/step Wall: 3200.82, 0.00324042/step, 3.60677 hours remaining, 232.882812 MB of memory in use. ENERGY: 993000 3968.1803 20627.2359 14467.8403 262.7605 -203536.8222 2764.0547 0.0000 0.0000 52309.8933 -109136.8572 300.6257 -161446.7505 -108772.9472 300.3782 30.1540 63.2110 761425.2524 3.0606 2.9981 PRESSURE: 993200 -488.528 -278.512 -46.2351 -278.512 86.0746 179.601 -46.234 179.6 130.698 GPRESSURE: 993200 -445.469 -209.268 -40.2506 -169.648 109.585 164.108 -42.5894 177.258 162.03 PRESSAVG: 993200 -108.609 -52.8898 -40.4161 -52.8898 81.645 7.5738 -40.416 7.5737 -6.26066 GPRESSAVG: 993200 -108.553 -54.2824 -40.9879 -50.9569 81.3647 7.64537 -41.5067 8.4733 -5.69913 TIMING: 993200 CPU: 3201.45, 0.00319783/step Wall: 3201.45, 0.00319783/step, 3.55918 hours remaining, 232.882812 MB of memory in use. ENERGY: 993200 4050.1242 20678.4787 14441.1224 254.4046 -203476.5759 2547.1293 0.0000 0.0000 52248.3249 -109256.9917 300.2718 -161505.3166 -108898.8182 300.5382 -90.5853 -57.9514 761792.0181 -11.0748 -10.9623 PRESSURE: 993400 164.278 -30.4402 64.1325 -30.4392 7.22901 3.27672 64.1323 3.27819 408.783 GPRESSURE: 993400 231.397 -8.70899 56.4741 -163.644 17.7748 -20.4628 33.971 108.854 411.818 PRESSAVG: 993400 -71.3091 -49.4266 20.0987 -49.4266 86.8695 15.7975 20.0987 15.7974 12.9767 GPRESSAVG: 993400 -71.4912 -50.5635 22.4127 -51.3668 86.3918 16.6876 19.3019 14.5962 13.0884 TIMING: 993400 CPU: 3202.09, 0.00319262/step Wall: 3202.09, 0.00319262/step, 3.5532 hours remaining, 232.882812 MB of memory in use. ENERGY: 993400 3972.4515 20695.2998 14491.8839 247.2399 -203444.8883 2588.2839 0.0000 0.0000 52177.5646 -109272.1647 299.8652 -161449.7293 -108900.2879 299.9465 193.4300 220.3300 758844.3374 9.5124 9.3296 PRESSURE: 993600 -89.1416 -158.84 -42.9507 -158.84 38.4432 6.55842 -42.9512 6.55943 -328.275 GPRESSURE: 993600 -45.3007 -158.909 -4.29708 -67.8619 57.7675 -86.4459 79.3483 41.3307 -308.106 PRESSAVG: 993600 -26.2688 -89.2388 -66.7346 -89.2388 17.7566 -68.9332 -66.7346 -68.9332 1.40566 GPRESSAVG: 993600 -26.2378 -89.2158 -67.8699 -88.495 16.8191 -69.9597 -65.3258 -68.2584 1.8636 TIMING: 993600 CPU: 3202.74, 0.00321142/step Wall: 3202.74, 0.00321142/step, 3.57396 hours remaining, 232.882812 MB of memory in use. ENERGY: 993600 3980.2055 20751.7026 14462.0633 258.0535 -203066.6183 2256.8781 0.0000 0.0000 52018.5870 -109339.1284 298.9515 -161357.7153 -108966.2411 300.6122 -126.3245 -98.5465 760767.1929 -2.3689 -2.5184 PRESSURE: 993800 -144.627 59.2806 -161.55 59.2807 -197.66 -225.357 -161.549 -225.357 -139.129 GPRESSURE: 993800 -77.4419 -2.50815 -139.186 135.405 -199.894 -139.043 -158.239 -240.569 -121.123 PRESSAVG: 993800 -46.0585 -54.5307 2.48994 -54.5308 70.0998 -28.0581 2.48996 -28.0581 7.49969 GPRESSAVG: 993800 -46.5542 -53.6436 1.40924 -53.2109 70.8184 -27.4121 4.59661 -27.4168 7.078 TIMING: 993800 CPU: 3203.38, 0.00319978/step Wall: 3203.38, 0.00319978/step, 3.56082 hours remaining, 232.882812 MB of memory in use. ENERGY: 993800 3985.0563 20635.0674 14513.2958 251.2421 -203100.7373 2381.6899 0.0000 0.0000 52098.6458 -109235.7401 299.4116 -161334.3859 -108873.9964 300.0784 -160.4718 -132.8196 761564.8092 10.5137 10.4474 PRESSURE: 994000 410.64 254.843 75.7159 254.843 78.5105 1.46264 75.7163 1.4633 177.384 GPRESSURE: 994000 433.117 274.301 22.001 216.385 137.256 -52.2256 -6.28214 20.9943 197.407 PRESSAVG: 994000 0.216572 -49.5305 -49.7594 -49.5305 -19.1015 -52.4818 -49.7594 -52.4818 8.31776 GPRESSAVG: 994000 -0.420363 -47.8981 -49.6818 -51.537 -19.5171 -52.3978 -49.109 -52.4531 9.08772 TIMING: 994000 CPU: 3204.01, 0.00317353/step Wall: 3204.01, 0.00317353/step, 3.53144 hours remaining, 232.882812 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: 994000 3960.8197 20325.5979 14509.5329 239.0135 -203310.5708 2732.1970 0.0000 0.0000 52260.5705 -109282.8393 300.3422 -161543.4098 -108921.1742 299.5244 222.1781 255.9269 761823.1825 -3.5224 -3.6166 PRESSURE: 994200 -198.149 -104.981 -77.4026 -104.982 37.6313 20.8778 -77.4022 20.8778 145.268 GPRESSURE: 994200 -164.95 -22.6453 17.4698 -163.541 69.6386 14.5348 -100.682 -15.2139 158.664 PRESSAVG: 994200 -1.74352 26.6921 -33.4616 26.6921 -8.16269 -34.0852 -33.4616 -34.0852 -8.09989 GPRESSAVG: 994200 -0.616824 25.241 -33.876 25.7548 -9.11284 -35.8226 -36.3338 -35.6382 -8.94509 TIMING: 994200 CPU: 3204.65, 0.00319905/step Wall: 3204.65, 0.00319905/step, 3.55965 hours remaining, 232.894531 MB of memory in use. ENERGY: 994200 3976.2325 20579.4163 14457.7102 259.9800 -203284.5555 2625.0403 0.0000 0.0000 52149.9609 -109236.2152 299.7065 -161386.1761 -108871.7032 299.5352 -5.0831 21.1175 760507.3373 -6.0020 -6.2249 PRESSURE: 994400 -64.9276 -17.0305 30.3543 -17.0304 39.9512 -52.3066 30.354 -52.3066 -47.0657 GPRESSURE: 994400 -50.7319 52.4888 47.1326 59.0416 102.427 -57.9775 98.6793 24.1552 -40.1391 PRESSAVG: 994400 -16.7294 -32.474 9.45166 -32.474 53.4221 -32.5623 9.45169 -32.5622 20.7317 GPRESSAVG: 994400 -16.9505 -31.9116 10.2671 -31.7758 54.4847 -31.5145 10.9494 -31.821 19.3396 TIMING: 994400 CPU: 3205.29, 0.00317979/step Wall: 3205.29, 0.00317979/step, 3.53805 hours remaining, 232.894531 MB of memory in use. ENERGY: 994400 4038.7712 20565.6037 14513.2683 247.9969 -203054.8419 2371.5268 0.0000 0.0000 52137.7257 -109179.9493 299.6362 -161317.6750 -108828.9190 300.1229 -24.0140 3.8521 759337.8404 19.1415 18.9579 PRESSURE: 994600 -13.1057 -39.8256 -47.0694 -39.8262 -59.2046 -75.9439 -47.0693 -75.9444 46.4368 GPRESSURE: 994600 -15.5666 -6.549 -16.8346 18.5945 4.67822 -53.9416 1.21069 -34.3377 66.6222 PRESSAVG: 994600 -8.70264 -33.0989 -6.96253 -33.099 6.72219 44.979 -6.96259 44.979 4.62245 GPRESSAVG: 994600 -10.2822 -32.0374 -8.18255 -34.1954 7.89688 45.896 -5.75064 45.0361 4.61945 TIMING: 994600 CPU: 3205.92, 0.00318479/step Wall: 3205.92, 0.00318479/step, 3.54343 hours remaining, 232.894531 MB of memory in use. ENERGY: 994600 3990.4762 20488.6008 14511.2898 241.3918 -203584.5640 2505.6791 0.0000 0.0000 52656.8238 -109190.3025 302.6195 -161847.1263 -108826.2423 300.5035 -8.6245 18.5779 760269.9423 0.8807 0.7447 PRESSURE: 994800 -117.966 -16.9401 -128.463 -16.9406 -13.4834 59.9864 -128.462 59.9873 -148.942 GPRESSURE: 994800 -31.4534 -18.212 -139.313 18.6206 95.3858 55.1404 -69.9751 99.9854 -250.921 PRESSAVG: 994800 32.6384 10.5384 -3.0948 10.5384 8.59087 0.441033 -3.09475 0.441065 -15.2165 GPRESSAVG: 994800 32.5537 9.89382 -2.56964 12.6321 9.21884 0.197385 -5.42913 1.84376 -15.0329 TIMING: 994800 CPU: 3206.56, 0.00319121/step Wall: 3206.56, 0.00319121/step, 3.5504 hours remaining, 232.894531 MB of memory in use. ENERGY: 994800 3968.1847 20410.5990 14448.8388 230.9364 -202906.8054 2265.9570 0.0000 0.0000 52090.5071 -109491.7824 299.3649 -161582.2895 -109134.7263 299.5258 -93.4637 -62.3296 761294.6774 8.6709 8.9132 PRESSURE: 995000 -112.093 -107.775 167.406 -107.776 -279.123 240.003 167.405 240.003 -45.6242 GPRESSURE: 995000 -83.9228 -28.4737 241.731 -158.055 -250.268 206.078 128.499 217.867 -6.50574 PRESSAVG: 995000 -20.3154 -11.7832 -10.8371 -11.7832 -17.175 13.7714 -10.8371 13.7714 -16.1155 GPRESSAVG: 995000 -20.4557 -10.2268 -9.95926 -12.9125 -18.2474 13.334 -9.98528 11.5143 -15.0487 TIMING: 995000 CPU: 3207.2, 0.00318755/step Wall: 3207.2, 0.00318756/step, 3.54616 hours remaining, 232.894531 MB of memory in use. ENERGY: 995000 3936.9076 20550.9680 14487.1765 236.5118 -202998.3793 2283.0344 0.0000 0.0000 52134.7034 -109369.0776 299.6189 -161503.7810 -109011.2456 299.1782 -145.6136 -113.5654 761840.3131 -17.8686 -17.9173 PRESSURE: 995200 -115.753 92.9356 273.249 92.9364 16.6022 -176.975 273.249 -176.976 -78.9501 GPRESSURE: 995200 -77.7372 5.93802 311.612 103.575 80.9872 -139.666 261.177 -171.9 -93.8079 PRESSAVG: 995200 -12.6447 -50.1262 13.5336 -50.1262 -7.45162 8.80139 13.5337 8.8014 -9.40485 GPRESSAVG: 995200 -11.3995 -51.2564 13.3022 -49.4011 -7.47426 9.63902 12.3117 9.16246 -10.4574 TIMING: 995200 CPU: 3207.83, 0.00317431/step Wall: 3207.83, 0.00317431/step, 3.53124 hours remaining, 232.894531 MB of memory in use. ENERGY: 995200 3936.1978 20376.9274 14425.0735 256.9169 -203234.3126 2550.5301 0.0000 0.0000 51909.7076 -109778.9593 298.3258 -161688.6669 -109412.9948 299.0376 -59.3670 -30.1860 762154.9809 -9.8337 -9.7770 PRESSURE: 995400 -45.0687 -173.57 -160.629 -173.569 -123.882 -46.3032 -160.63 -46.3017 -22.5527 GPRESSURE: 995400 63.9011 -278.851 -224.282 -84.3813 -160.486 -70.5496 -158.778 3.13497 -6.90408 PRESSAVG: 995400 35.0575 -51.7546 2.54503 -51.7546 -33.3242 -32.998 2.545 -32.998 10.6451 GPRESSAVG: 995400 33.9461 -50.9254 1.91746 -50.9358 -32.5626 -31.9128 3.59385 -32.8236 11.1222 TIMING: 995400 CPU: 3208.47, 0.00318877/step Wall: 3208.47, 0.00318877/step, 3.54715 hours remaining, 232.894531 MB of memory in use. ENERGY: 995400 3992.2532 20545.9088 14523.9039 245.7565 -203116.1321 2329.2895 0.0000 0.0000 51953.4712 -109525.5492 298.5773 -161479.0203 -109161.8548 298.5321 -63.8346 -34.4964 760755.0808 4.1262 4.1686 PRESSURE: 995600 130.748 155.686 153.145 155.687 125.545 129.026 153.145 129.025 755.791 GPRESSURE: 995600 144.421 58.6911 127.889 96.2936 236.114 76.5259 110.068 100.345 725.047 PRESSAVG: 995600 38.0563 -11.3513 37.55 -11.3513 -24.4046 -11.969 37.55 -11.9689 0.968982 GPRESSAVG: 995600 37.4671 -11.2192 37.5182 -13.3549 -24.6512 -12.8361 37.0767 -10.5433 1.38348 TIMING: 995600 CPU: 3209.11, 0.00318808/step Wall: 3209.11, 0.00318808/step, 3.54621 hours remaining, 232.894531 MB of memory in use. ENERGY: 995600 3953.7158 20471.9933 14510.4964 259.0826 -203694.1270 2875.2195 0.0000 0.0000 52126.7024 -109496.9169 299.5729 -161623.6193 -109138.3244 299.0138 337.3612 368.5274 761286.2596 4.8736 4.7331 PRESSURE: 995800 -2.13519 -152.754 -158.215 -152.755 -176.804 -188.818 -158.215 -188.818 -11.7487 GPRESSURE: 995800 -31.4272 -224.852 -157.996 -128.993 -89.2006 -258.848 -113.666 -118.663 5.54865 PRESSAVG: 995800 -31.5323 -36.6494 -9.01604 -36.6493 62.1936 -17.2301 -9.01607 -17.2301 13.0288 GPRESSAVG: 995800 -31.2172 -37.2225 -9.26643 -36.4606 62.4616 -16.0395 -9.3998 -19.9993 12.3527 TIMING: 995800 CPU: 3209.75, 0.00319401/step Wall: 3209.75, 0.00319401/step, 3.55263 hours remaining, 232.894531 MB of memory in use. ENERGY: 995800 3946.9046 20306.3517 14544.4891 247.0431 -203441.6690 2388.9935 0.0000 0.0000 52367.1101 -109640.7769 300.9545 -162007.8871 -109264.0479 299.4704 -63.5627 -38.3597 760694.7476 14.5634 14.5323 PRESSURE: 996000 2.84395 96.0779 -2.85714 96.0783 250.046 -223.803 -2.85688 -223.804 -221.231 GPRESSURE: 996000 78.3515 131.791 -83.048 -12.7528 219.028 -184.016 -6.01439 -45.8025 -192.513 PRESSAVG: 996000 -23.5553 -58.9709 -20.7838 -58.9709 -22.1297 -50.1205 -20.7837 -50.1204 28.7135 GPRESSAVG: 996000 -24.0548 -60.2251 -21.3216 -60.2655 -22.0936 -51.0994 -21.1671 -47.1047 29.1974 TIMING: 996000 CPU: 3210.39, 0.00320121/step Wall: 3210.39, 0.00320121/step, 3.56045 hours remaining, 232.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 996000 3995.0748 20512.6508 14551.2866 246.3104 -203038.4416 2177.0205 0.0000 0.0000 52071.2460 -109484.8525 299.2542 -161556.0985 -109125.6342 299.1058 10.5530 34.9557 760466.5713 -5.6572 -5.6503 PRESSURE: 996200 -27.6593 -120.455 -12.0106 -120.455 -252.106 150.983 -12.0105 150.983 -139.461 GPRESSURE: 996200 54.8272 -166.837 -18.0979 37.7039 -277.446 169.589 24.4872 -8.18222 -107.164 PRESSAVG: 996200 -0.921691 -83.4802 -50.6854 -83.4802 33.3253 -15.1837 -50.6854 -15.1837 -11.548 GPRESSAVG: 996200 0.0887498 -82.2058 -49.8894 -80.6742 32.5315 -13.3595 -47.4605 -16.9986 -11.8516 TIMING: 996200 CPU: 3211.03, 0.00319348/step Wall: 3211.03, 0.00319348/step, 3.55168 hours remaining, 232.894531 MB of memory in use. ENERGY: 996200 3935.2732 20505.1390 14565.6731 231.9432 -203522.6858 2466.2497 0.0000 0.0000 52147.9597 -109670.4478 299.6950 -161818.4075 -109315.3375 299.3434 -139.7421 -109.9274 759501.9002 6.9519 6.9229 LDB: ============= START OF LOAD BALANCING ============== 3223.45 LDB: ============== END OF LOAD BALANCING =============== 3223.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3223.45 LDB: ============= START OF LOAD BALANCING ============== 3223.77 LDB: Largest compute 7075 load 0.035140 is 18.0% of average load 0.195490 LDB: Average compute 0.004445 is 2.3% of average load 0.195490 LDB: TIME 3223.77 LOAD: AVG 0.19549 MAX 0.218837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.102 MB LDB: TIME 3223.77 LOAD: AVG 0.19549 MAX 0.218837 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.301 MB LDB: TIME 3223.77 LOAD: AVG 0.19549 MAX 0.216468 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.301 MB LDB: ============== END OF LOAD BALANCING =============== 3223.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3223.78 PRESSURE: 996400 -352.119 -281.713 132.12 -281.714 29.5175 33.6559 132.12 33.6559 61.6186 GPRESSURE: 996400 -267.127 -222.945 108.453 -422.685 15.4394 42.9516 43.475 -29.5515 85.7645 PRESSAVG: 996400 11.6138 -80.6907 -12.9294 -80.6906 -44.0812 2.10257 -12.9294 2.10259 13.4291 GPRESSAVG: 996400 11.3726 -79.6872 -13.4159 -82.9418 -44.8668 -1.06775 -13.9243 3.42106 14.94 TIMING: 996400 CPU: 3211.67, 0.00323766/step Wall: 3211.67, 0.00323766/step, 3.60064 hours remaining, 230.105469 MB of memory in use. ENERGY: 996400 4021.2709 20512.8532 14579.9791 248.4594 -202964.4504 2425.6271 0.0000 0.0000 51791.0237 -109385.2370 297.6437 -161176.2607 -109025.2622 299.2556 -86.9943 -55.3078 760043.7852 -6.3461 -6.1847 PRESSURE: 996600 -135.945 -316.029 -90.9142 -316.029 -225.663 -200.596 -90.913 -200.595 -2.81915 GPRESSURE: 996600 -64.713 -353.134 -101.157 -137.015 -181.007 -221.036 -81.2428 -205.871 -22.812 PRESSAVG: 996600 -33.8443 -91.2392 2.63644 -91.2392 1.49566 -37.846 2.6364 -37.846 -9.27128 GPRESSAVG: 996600 -33.1927 -91.9085 3.00359 -88.6622 1.22005 -37.3531 2.53703 -38.1877 -9.17211 TIMING: 996600 CPU: 3212.31, 0.00316118/step Wall: 3212.31, 0.00316118/step, 3.51541 hours remaining, 230.105469 MB of memory in use. ENERGY: 996600 3998.5503 20145.5829 14421.8942 270.2004 -203011.8773 2260.4814 0.0000 0.0000 52087.8672 -109827.3010 299.3497 -161915.1682 -109461.1567 298.9248 -121.4758 -89.5107 760682.2123 -13.8733 -13.7149 PRESSURE: 996800 -232.239 81.9953 -298.921 81.9945 -163.098 -44.1226 -298.921 -44.123 -204.426 GPRESSURE: 996800 -178.647 37.8034 -283.91 97.4095 -92.7334 -55.1251 -222.38 -64.4527 -229.689 PRESSAVG: 996800 18.0884 -48.4416 -17.5151 -48.4417 31.9838 -37.5735 -17.5151 -37.5735 -15.276 GPRESSAVG: 996800 17.2489 -48.4743 -17.99 -50.7346 33.004 -37.4857 -15.855 -38.2804 -15.0443 TIMING: 996800 CPU: 3212.94, 0.00317081/step Wall: 3212.94, 0.00317081/step, 3.52594 hours remaining, 230.105469 MB of memory in use. ENERGY: 996800 3922.0177 20322.5206 14463.4081 240.3935 -202917.0233 2343.2052 0.0000 0.0000 51988.0142 -109637.4640 298.7758 -161625.4782 -109266.1752 298.5546 -199.9209 -167.0229 760716.3707 11.5987 11.7362 PRESSURE: 997000 21.3555 -207.677 74.8453 -207.676 184.478 -309.953 74.8458 -309.954 -194.354 GPRESSURE: 997000 42.8761 -253.428 142.986 -227.123 185.516 -297.634 22.3227 -221.322 -152.285 PRESSAVG: 997000 16.9396 -35.8224 -33.6529 -35.8224 13.3607 -76.0754 -33.6528 -76.0753 -5.41549 GPRESSAVG: 997000 15.5244 -37.1042 -33.0858 -33.0394 14.5101 -75.5322 -35.1068 -74.1176 -5.99807 TIMING: 997000 CPU: 3213.58, 0.00319452/step Wall: 3213.58, 0.00319452/step, 3.55213 hours remaining, 230.105469 MB of memory in use. ENERGY: 997000 3995.0841 20278.2403 14520.4531 257.3955 -202951.9228 2436.7635 0.0000 0.0000 52139.5758 -109324.4105 299.6469 -161463.9863 -108954.7715 298.9793 3.8265 25.3690 761705.0986 8.2949 8.0121 PRESSURE: 997200 -396.867 -112.328 249.371 -112.328 40.1531 217.697 249.372 217.697 162.675 GPRESSURE: 997200 -344.59 -154.59 239.525 -149.835 62.0728 292.767 223.959 137.111 184.146 PRESSAVG: 997200 -6.7513 -18.7506 18.0087 -18.7506 47.3148 13.6478 18.0087 13.6478 -15.2741 GPRESSAVG: 997200 -4.83125 -18.4832 16.9493 -20.3602 46.4622 13.6563 17.7305 9.26492 -15.6155 TIMING: 997200 CPU: 3214.22, 0.00318236/step Wall: 3214.22, 0.00318236/step, 3.53843 hours remaining, 230.105469 MB of memory in use. ENERGY: 997200 4011.9547 20427.1922 14471.1982 270.1275 -203104.5618 2534.5163 0.0000 0.0000 52330.2099 -109059.3630 300.7424 -161389.5729 -108705.3586 299.5571 -64.6795 -32.7904 761577.1065 8.4298 8.6718 PRESSURE: 997400 -55.1042 18.4772 -134.037 18.4773 -258.522 -67.0732 -134.037 -67.073 -194.879 GPRESSURE: 997400 20.1681 62.967 -136.672 57.8845 -257.214 -102.283 -245.977 -126.409 -176.226 PRESSAVG: 997400 29.4918 -13.8548 52.983 -13.8548 -3.84402 9.80607 52.983 9.80617 -11.4425 GPRESSAVG: 997400 28.7737 -13.9139 53.1427 -12.0702 -3.87435 10.9763 53.1399 11.8657 -11.0375 TIMING: 997400 CPU: 3214.85, 0.00315542/step Wall: 3214.85, 0.00315542/step, 3.5083 hours remaining, 230.105469 MB of memory in use. ENERGY: 997400 3985.2828 20463.8448 14506.3470 224.9811 -202778.8214 2118.3658 0.0000 0.0000 52208.0091 -109271.9908 300.0401 -161479.9999 -108910.0569 300.0385 -169.5017 -137.7573 760052.7180 4.7351 4.6206 PRESSURE: 997600 6.46919 -174.55 -190.607 -174.552 134.343 21.0028 -190.607 21.003 202.575 GPRESSURE: 997600 -18.8047 -153.576 -176.953 -259.169 214.586 -35.8403 -131.205 130.652 240.485 PRESSAVG: 997600 9.17033 4.79506 -50.833 4.79511 -33.0492 -7.39464 -50.833 -7.39467 -0.619995 GPRESSAVG: 997600 8.70648 7.36613 -49.4951 3.44757 -32.5791 -6.98123 -51.0288 -8.64294 -0.785013 TIMING: 997600 CPU: 3215.48, 0.00315105/step Wall: 3215.48, 0.00315105/step, 3.50327 hours remaining, 230.105469 MB of memory in use. ENERGY: 997600 3983.4491 20639.3063 14535.9491 256.6547 -203135.4426 2364.5128 0.0000 0.0000 52169.7773 -109185.7934 299.8204 -161355.5707 -108816.5435 300.0031 114.4625 145.4219 759971.3390 -8.1663 -8.2192 PRESSURE: 997800 -15.283 -272.681 -85.0342 -272.682 112.942 -120.777 -85.0346 -120.777 -13.1518 GPRESSURE: 997800 -0.240334 -253.611 -10.2631 -364.891 203.81 -110.624 -50.582 -102.713 -58.0041 PRESSAVG: 997800 40.6259 -28.4429 -33.1994 -28.443 -45.6826 2.83129 -33.1994 2.83135 6.83787 GPRESSAVG: 997800 42.0641 -30.318 -33.8478 -28.3948 -45.2215 2.0962 -31.7396 6.18033 6.00102 TIMING: 997800 CPU: 3216.11, 0.00318083/step Wall: 3216.11, 0.00318083/step, 3.5362 hours remaining, 230.105469 MB of memory in use. ENERGY: 997800 4043.4326 20638.1752 14514.1074 257.3645 -203765.6531 2567.9353 0.0000 0.0000 52256.3696 -109488.2683 300.3181 -161744.6379 -109126.0947 299.9236 28.1689 48.5219 760729.1539 0.5937 0.9479 PRESSURE: 998000 66.488 62.9409 -18.6796 62.9405 -139.582 -170.547 -18.6786 -170.547 -203.484 GPRESSURE: 998000 94.8439 96.7992 30.8733 11.4483 -98.5169 -127.551 14.0924 -212.585 -199.265 PRESSAVG: 998000 19.5627 -96.696 18.9155 -96.696 8.63444 -35.8302 18.9155 -35.8302 -36.4779 GPRESSAVG: 998000 17.7852 -97.9377 19.2834 -98.317 8.87091 -37.1695 15.8907 -35.5499 -34.2948 TIMING: 998000 CPU: 3216.75, 0.00318678/step Wall: 3216.75, 0.00318678/step, 3.54263 hours remaining, 230.105469 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: 998000 3983.7216 20461.6880 14526.3919 243.9532 -203389.3296 2502.4247 0.0000 0.0000 52285.4348 -109385.7154 300.4851 -161671.1502 -109011.6270 299.6657 -92.1926 -67.6458 759935.6718 -2.7602 -2.5462 PRESSURE: 998200 -301.178 0.30121 -34.9623 0.30073 74.5203 109.03 -34.9624 109.03 28.4727 GPRESSURE: 998200 -191.257 56.2641 -23.4012 7.99036 46.6972 11.3944 -21.8937 69.1166 30.8306 PRESSAVG: 998200 27.1792 -27.508 25.5102 -27.508 0.662686 -39.928 25.5102 -39.928 15.0097 GPRESSAVG: 998200 27.5163 -25.9582 23.912 -24.3604 0.120787 -39.4601 28.5059 -40.428 14.7439 TIMING: 998200 CPU: 3217.38, 0.00316796/step Wall: 3217.38, 0.00316796/step, 3.52154 hours remaining, 230.105469 MB of memory in use. ENERGY: 998200 3935.4233 20451.3545 14510.6988 237.1725 -203235.0458 2290.9189 0.0000 0.0000 52395.4784 -109413.9995 301.1175 -161809.4779 -109038.8691 299.8682 -66.0617 -37.9096 760267.6051 14.2839 14.1270 PRESSURE: 998400 -10.3045 44.0198 -96.5096 44.0198 -30.4203 -92.5046 -96.5093 -92.5043 -34.1988 GPRESSURE: 998400 29.1904 1.49774 -105.522 -57.0751 96.0294 -89.2957 -120.256 2.5355 -112.244 PRESSAVG: 998400 46.1474 -50.4409 11.3138 -50.4409 -73.8911 -64.6379 11.3138 -64.6379 -19.1948 GPRESSAVG: 998400 47.8729 -50.7055 12.3326 -51.8226 -74.1219 -63.9247 9.67707 -66.3149 -20.5607 TIMING: 998400 CPU: 3218.02, 0.00317208/step Wall: 3218.02, 0.00317208/step, 3.52594 hours remaining, 230.105469 MB of memory in use. ENERGY: 998400 3992.0573 20445.4014 14461.1287 265.6346 -203264.2583 2545.0962 0.0000 0.0000 51830.2171 -109724.7230 297.8690 -161554.9401 -109362.7584 299.3040 -24.9745 4.3254 760819.1053 -15.6462 -15.6032 PRESSURE: 998600 -29.9549 110.692 -106.974 110.693 -232.399 -185.947 -106.974 -185.947 109.533 GPRESSURE: 998600 -90.9167 169.107 -72.49 135.887 -93.6991 -167.403 -130.558 -306.476 106.962 PRESSAVG: 998600 46.546 2.74335 39.3429 2.74333 -55.0536 -48.5161 39.343 -48.5161 -12.5274 GPRESSAVG: 998600 44.3651 0.871313 38.3809 3.2429 -54.0306 -49.0806 40.7095 -49.8066 -11.9171 TIMING: 998600 CPU: 3218.66, 0.00318835/step Wall: 3218.66, 0.00318835/step, 3.54385 hours remaining, 230.105469 MB of memory in use. ENERGY: 998600 4011.2788 20502.6564 14444.2267 246.7686 -203342.7262 2518.9699 0.0000 0.0000 51831.1038 -109787.7220 297.8741 -161618.8258 -109421.3470 298.3203 -50.9404 -25.8845 761014.8318 -7.0117 -7.1942 PRESSURE: 998800 21.7434 -164.79 -16.1918 -164.79 96.8649 -3.09709 -16.1923 -3.09693 -176.482 GPRESSURE: 998800 -25.8336 -179.577 -49.1609 -103.956 169.345 55.3607 -28.1212 -32.6139 -114.224 PRESSAVG: 998800 9.72107 10.0149 -9.77134 10.0148 -32.5872 -8.20972 -9.77132 -8.20969 -26.2188 GPRESSAVG: 998800 9.63915 12.1511 -9.61213 9.54037 -32.9284 -7.80083 -12.0855 -6.61114 -26.2173 TIMING: 998800 CPU: 3219.29, 0.00317643/step Wall: 3219.29, 0.00317643/step, 3.53043 hours remaining, 230.105469 MB of memory in use. ENERGY: 998800 3995.2396 20327.6542 14431.1247 238.9841 -203628.6275 2608.9581 0.0000 0.0000 52005.4937 -110021.1730 298.8763 -162026.6667 -109651.9430 298.5480 -19.2911 9.7627 760715.7792 -16.3617 -16.5022 PRESSURE: 999000 -109.848 47.1528 287.509 47.1536 -56.911 80.5268 287.509 80.5277 42.8806 GPRESSURE: 999000 -53.353 62.0027 266.581 -18.0468 -72.0303 139.811 366.697 42.4588 92.8551 PRESSAVG: 999000 -4.19599 -6.63158 10.4623 -6.63162 -40.0867 -0.119115 10.4623 -0.119093 -8.59981 GPRESSAVG: 999000 -3.72709 -7.3229 9.7422 -5.95758 -40.2411 0.23449 13.2106 -1.60155 -8.79132 TIMING: 999000 CPU: 3219.93, 0.00318843/step Wall: 3219.93, 0.00318842/step, 3.54358 hours remaining, 230.105469 MB of memory in use. ENERGY: 999000 4030.8724 20392.4057 14453.8069 215.4076 -203358.5355 2577.1076 0.0000 0.0000 51836.4791 -109852.4563 297.9050 -161688.9354 -109490.3412 297.7976 -41.2928 -10.8427 762147.0556 -17.6275 -17.5865 PRESSURE: 999200 41.6937 128.42 21.8263 128.421 243.388 -46.5037 21.8258 -46.5025 302.688 GPRESSURE: 999200 92.0358 142.763 67.3725 -61.9667 263.375 -64.9892 -8.63351 156.673 330.529 PRESSAVG: 999200 -1.95718 5.38797 8.04069 5.38795 27.9362 -17.8723 8.04066 -17.8724 -6.66599 GPRESSAVG: 999200 -2.39812 6.18736 9.81584 4.79952 28.5339 -18.7071 5.36488 -16.0723 -7.03274 TIMING: 999200 CPU: 3220.56, 0.00314534/step Wall: 3220.56, 0.00314534/step, 3.49552 hours remaining, 230.105469 MB of memory in use. ENERGY: 999200 3917.7918 20518.8881 14448.5326 246.8528 -203720.3853 2704.7553 0.0000 0.0000 51885.1435 -109998.4211 298.1846 -161883.5646 -109637.4363 298.1387 195.9232 228.6469 758722.4449 6.4377 6.3677 PRESSURE: 999400 11.4124 220.857 59.5204 220.857 -80.4194 -109.778 59.5203 -109.778 -292.683 GPRESSURE: 999400 91.2979 158.118 107.836 231.415 -96.4702 -128.92 6.80484 -56.35 -288.885 PRESSAVG: 999400 11.8662 -38.6316 9.45142 -38.6317 -21.1662 -39.604 9.45142 -39.6039 4.60605 GPRESSAVG: 999400 12.4889 -40.1837 7.97534 -39.0283 -21.7895 -39.7958 9.97794 -40.8011 4.36329 TIMING: 999400 CPU: 3221.19, 0.00314618/step Wall: 3221.19, 0.00314618/step, 3.49628 hours remaining, 230.105469 MB of memory in use. ENERGY: 999400 3934.1877 20438.6761 14393.4919 238.4418 -203380.3963 2273.1824 0.0000 0.0000 52257.7707 -109844.6457 300.3261 -162102.4164 -109472.8828 298.4022 -120.5632 -98.0192 761517.0543 -1.5647 -1.6458 PRESSURE: 999600 -149.209 0.928187 194.105 0.928603 144.092 -57.2231 194.105 -57.2225 -211.974 GPRESSURE: 999600 -106.096 -174.112 174.531 34.429 151.59 -56.0338 84.2869 -93.9758 -182.012 PRESSAVG: 999600 31.4832 26.2663 17.7622 26.2662 -8.32019 -23.7012 17.7622 -23.7012 -8.60111 GPRESSAVG: 999600 31.5381 25.7303 17.3243 26.5943 -8.98728 -22.223 18.1489 -22.3804 -7.72378 TIMING: 999600 CPU: 3221.82, 0.00318171/step Wall: 3221.82, 0.00318171/step, 3.53559 hours remaining, 230.105469 MB of memory in use. ENERGY: 999600 4011.1468 20376.7862 14532.5632 246.5428 -203495.5713 2575.4456 0.0000 0.0000 51789.9267 -109963.1600 297.6374 -161753.0867 -109605.8883 298.5942 -72.3636 -45.5061 759182.4650 4.8540 4.9423 PRESSURE: 999800 239.343 174.041 -39.705 174.04 76.4247 38.0313 -39.7049 38.0312 7.45726 GPRESSURE: 999800 225.771 135.098 -51.8014 109.417 106.718 111.867 -54.2195 -34.3432 58.8918 PRESSAVG: 999800 77.6733 16.3934 -55.8788 16.3934 -47.9811 -21.896 -55.8788 -21.896 -34.8111 GPRESSAVG: 999800 77.7192 14.7628 -54.4415 18.2949 -47.5053 -23.377 -55.7223 -21.4045 -35.5504 TIMING: 999800 CPU: 3222.46, 0.00316929/step Wall: 3222.46, 0.00316929/step, 3.52161 hours remaining, 230.105469 MB of memory in use. ENERGY: 999800 3967.0630 20538.8423 14486.1786 247.3693 -203483.6412 2565.7373 0.0000 0.0000 51786.4865 -109891.9643 297.6176 -161678.4508 -109531.1564 298.7657 107.7415 130.4603 760123.9155 -1.7063 -1.7788 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.014 seconds, 230.105 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000000 41.7994 -173.173 -117.058 -173.173 375.524 -69.9569 -117.058 -69.9569 52.9184 GPRESSURE: 1000000 87.0673 -151.611 -180.934 -86.6797 399.331 -168.362 59.874 -112.899 68.0207 PRESSAVG: 1000000 -3.21065 16.6508 -9.07264 16.6508 -16.2026 9.78237 -9.07267 9.78236 -4.53575 GPRESSAVG: 1000000 -4.11882 19.458 -10.0801 15.0289 -14.356 9.41856 -8.60403 9.69979 -4.67664 TIMING: 1000000 CPU: 3223.11, 0.00327285/step Wall: 3223.11, 0.00327285/step, 3.6365 hours remaining, 230.105469 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: 1000000 3902.0083 20470.6354 14554.1508 247.7516 -203325.4991 2441.9688 0.0000 0.0000 51709.8855 -109999.0987 297.1774 -161708.9842 -109638.7759 298.4033 156.7471 184.8065 760686.0559 -7.9830 -7.7172 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 PRESSURE: 1000200 -343.498 72.5111 123.625 72.5106 -122.981 72.539 123.625 72.539 307.205 GPRESSURE: 1000200 -315.229 17.8508 198.459 49.0337 -95.3989 75.2474 131.24 170.074 335.388 PRESSAVG: 1000200 40.6956 15.9445 -18.2687 15.9445 -20.5402 11.6448 -18.2687 11.6448 5.24367 GPRESSAVG: 1000200 42.2297 15.4466 -17.4345 16.171 -21.4962 11.6407 -17.5553 9.41308 4.69547 TIMING: 1000200 CPU: 3223.75, 0.00316934/step Wall: 3223.75, 0.00316934/step, 3.52131 hours remaining, 230.105469 MB of memory in use. ENERGY: 1000200 3968.4939 20430.7135 14454.9514 248.1924 -203838.2433 2695.9144 0.0000 0.0000 51862.9416 -110177.0362 298.0570 -162039.9778 -109816.5091 297.6371 -53.0912 -25.0800 759887.9290 8.4664 8.4763 LDB: ============= START OF LOAD BALANCING ============== 3236.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3236.17 LDB: =============== DONE WITH MIGRATION ================ 3236.17 LDB: ============= START OF LOAD BALANCING ============== 3236.49 LDB: Largest compute 7075 load 0.035235 is 18.0% of average load 0.195360 LDB: Average compute 0.004431 is 2.3% of average load 0.195360 LDB: TIME 3236.49 LOAD: AVG 0.19536 MAX 0.215383 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.875 MB LDB: TIME 3236.49 LOAD: AVG 0.19536 MAX 0.215383 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: TIME 3236.49 LOAD: AVG 0.19536 MAX 0.215383 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: ============== END OF LOAD BALANCING =============== 3236.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3236.5 PRESSURE: 1000400 -58.6427 55.2203 17.2513 55.2205 -146.424 -24.1492 17.2509 -24.1491 -178.717 GPRESSURE: 1000400 -30.8151 -33.2668 2.92537 -68.3875 -123.092 -3.77092 42.8125 1.21002 -148.398 PRESSAVG: 1000400 -33.5301 5.42333 -13.9567 5.42334 28.6175 -6.8184 -13.9567 -6.81841 -1.71123 GPRESSAVG: 1000400 -35.5391 3.72412 -12.7012 6.39989 28.1995 -5.26172 -17.3495 -5.65359 0.369078 TIMING: 1000400 CPU: 3224.39, 0.00322243/step Wall: 3224.39, 0.00322243/step, 3.58012 hours remaining, 233.375000 MB of memory in use. ENERGY: 1000400 3937.3026 20540.9032 14439.7454 232.9957 -203446.7412 2494.4092 0.0000 0.0000 51701.3642 -110100.0209 297.1285 -161801.3851 -109730.0450 298.5479 -127.9278 -100.7683 760761.7606 -2.2079 -2.3235 PRESSURE: 1000600 -73.0011 113.645 -84.4666 113.644 -20.0947 -166.326 -84.4664 -166.325 70.5517 GPRESSURE: 1000600 22.076 72.041 -28.1987 38.0037 15.0334 -105.434 -180.856 -5.84397 25.9302 PRESSAVG: 1000600 1.64072 7.34521 -34.668 7.34519 -0.734764 22.5333 -34.668 22.5334 4.51682 GPRESSAVG: 1000600 2.17862 7.99357 -33.3665 7.00774 -0.41105 23.6446 -33.8263 23.252 3.746 TIMING: 1000600 CPU: 3225.02, 0.00313666/step Wall: 3225.02, 0.00313666/step, 3.48466 hours remaining, 233.375000 MB of memory in use. ENERGY: 1000600 3983.3425 20454.2848 14407.3382 256.1337 -203760.6338 2654.1473 0.0000 0.0000 52116.3222 -109889.0651 299.5132 -162005.3873 -109511.3015 298.0111 -7.5147 21.0132 760571.5788 1.8076 1.8379 PRESSURE: 1000800 -185.838 111.012 -103.378 111.013 -50.444 -28.2991 -103.378 -28.2995 49.4335 GPRESSURE: 1000800 -121.98 60.8074 -66.1462 276.391 -82.8591 -84.9222 -92.3613 21.9945 110.21 PRESSAVG: 1000800 6.12559 60.0461 -6.4775 60.0461 12.5264 7.62793 -6.47751 7.62795 -22.0353 GPRESSAVG: 1000800 7.4248 61.6476 -7.73552 59.0016 12.0165 7.05494 -6.07051 6.93198 -22.5347 TIMING: 1000800 CPU: 3225.65, 0.00315416/step Wall: 3225.65, 0.00315416/step, 3.50392 hours remaining, 233.375000 MB of memory in use. ENERGY: 1000800 4046.5692 20636.6623 14433.2845 251.8505 -203488.9754 2424.4458 0.0000 0.0000 51677.5677 -110018.5954 296.9917 -161696.1631 -109661.5406 298.0817 -62.2828 -31.5432 760770.9064 -1.1278 -1.0311 PRESSURE: 1001000 166.299 26.2554 -87.0042 26.2545 -309.025 192.352 -87.0044 192.352 -82.0653 GPRESSURE: 1001000 60.6522 -14.9603 -97.6333 29.7994 -210.691 186.409 6.32237 218.805 3.37921 PRESSAVG: 1001000 -5.9523 2.5764 -21.0277 2.57641 -10.2696 18.4578 -21.0277 18.4578 -27.5771 GPRESSAVG: 1001000 -7.7086 0.899828 -21.1576 4.0274 -9.18595 16.3073 -20.0922 19.8499 -26.7964 TIMING: 1001000 CPU: 3226.28, 0.00313159/step Wall: 3226.28, 0.00313159/step, 3.47868 hours remaining, 233.375000 MB of memory in use. ENERGY: 1001000 3926.5107 20523.7647 14460.8700 240.1793 -203824.0094 2721.6341 0.0000 0.0000 51916.2895 -110034.7610 298.3636 -161951.0505 -109682.8024 298.0286 -74.9303 -48.8864 760414.3194 -14.5997 -14.5636 PRESSURE: 1001200 -332.213 -9.69775 201.541 -9.69733 61.5828 -12.8676 201.541 -12.8677 111.851 GPRESSURE: 1001200 -255.17 22.2024 180.705 32.7757 76.9226 11.9437 102.112 -25.4696 115.636 PRESSAVG: 1001200 34.8616 -24.1885 -50.1599 -24.1885 20.2647 -9.08432 -50.1599 -9.08429 21.3454 GPRESSAVG: 1001200 36.5178 -24.3138 -50.2036 -24.6641 18.7383 -7.77004 -51.611 -10.4443 21.5316 TIMING: 1001200 CPU: 3226.9, 0.00314297/step Wall: 3226.9, 0.00314297/step, 3.49114 hours remaining, 233.375000 MB of memory in use. ENERGY: 1001200 4013.2783 20418.5366 14452.8801 251.1691 -203478.5661 2565.6760 0.0000 0.0000 51870.4410 -109906.5850 298.1001 -161777.0260 -109544.6790 298.8915 -52.9265 -20.8704 759615.8021 25.4906 25.5959 PRESSURE: 1001400 120.815 72.8247 -104.398 72.8247 70.6594 -212.61 -104.399 -212.61 -85.6264 GPRESSURE: 1001400 119.962 68.9564 -116.343 11.575 169.576 -228.546 -17.2363 -143.276 -72.0879 PRESSAVG: 1001400 -20.0486 -16.9227 -27.7464 -16.9227 1.48543 -31.4942 -27.7464 -31.4942 11.1786 GPRESSAVG: 1001400 -19.4675 -14.0412 -27.8997 -17.2369 1.22126 -30.7755 -26.4265 -29.1854 11.0098 TIMING: 1001400 CPU: 3227.54, 0.00316093/step Wall: 3227.54, 0.00316093/step, 3.51091 hours remaining, 233.375000 MB of memory in use. ENERGY: 1001400 3969.1146 20426.6597 14403.0526 255.9337 -203460.3371 2545.5787 0.0000 0.0000 52093.0299 -109766.9679 299.3794 -161859.9978 -109396.5957 298.8885 35.2828 72.4836 759962.0875 -2.4615 -2.4122 PRESSURE: 1001600 -343.556 155.954 1.28873 155.955 -188.411 -52.1564 1.28884 -52.1574 60.4035 GPRESSURE: 1001600 -308.946 44.309 -38.1917 140.711 -165.512 -66.0734 160.183 -88.3257 93.7265 PRESSAVG: 1001600 4.04136 6.26425 0.781989 6.26429 26.6411 -15.2023 0.782023 -15.2022 -15.715 GPRESSAVG: 1001600 2.83841 3.7879 -0.583112 6.173 27.8015 -16.2917 2.621 -17.7635 -15.877 TIMING: 1001600 CPU: 3228.17, 0.0031501/step Wall: 3228.17, 0.0031501/step, 3.49871 hours remaining, 233.375000 MB of memory in use. ENERGY: 1001600 3940.7242 20645.5151 14462.4978 243.1303 -203733.4216 2646.1013 0.0000 0.0000 52097.5379 -109697.9151 299.4053 -161795.4530 -109338.7750 299.7520 -157.1879 -126.9107 762500.2798 4.9892 4.9210 PRESSURE: 1001800 -82.3267 -121.181 -96.4617 -121.182 -22.9815 119.026 -96.4614 119.027 -600.907 GPRESSURE: 1001800 -136.878 -69.109 -124.054 -142.481 18.0161 170.41 -67.8576 239.806 -505.185 PRESSAVG: 1001800 -1.41334 -7.07295 -52.0092 -7.07291 -7.03178 -31.6771 -52.0091 -31.6771 5.21646 GPRESSAVG: 1001800 -0.655143 -4.42054 -51.6146 -8.49973 -8.28434 -29.7516 -52.5015 -29.3966 5.70083 TIMING: 1001800 CPU: 3228.8, 0.00315232/step Wall: 3228.8, 0.00315232/step, 3.501 hours remaining, 233.375000 MB of memory in use. ENERGY: 1001800 3985.2754 20462.9474 14425.1936 243.5705 -203520.4223 2606.7088 0.0000 0.0000 52171.9575 -109624.7691 299.8330 -161796.7265 -109262.2872 299.5340 -235.4050 -208.0156 762734.8831 -1.0762 -1.0796 PRESSURE: 1002000 -386.7 -121.993 -38.5016 -121.994 -193.222 -61.8321 -38.5005 -61.8319 -8.70641 GPRESSURE: 1002000 -321.952 43.8312 43.2349 -126.803 -186.24 -60.318 -137.583 -182.906 16.6595 PRESSAVG: 1002000 3.80826 -15.5943 -91.991 -15.5943 16.8552 8.74583 -91.991 8.74587 4.93266 GPRESSAVG: 1002000 4.05208 -16.8564 -91.6842 -17.2699 16.982 10.0032 -92.2142 6.02221 4.36046 TIMING: 1002000 CPU: 3229.43, 0.00314638/step Wall: 3229.43, 0.00314638/step, 3.49423 hours remaining, 233.375000 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: 1002000 4009.7433 20570.2558 14510.6920 250.7921 -203473.1040 2396.9907 0.0000 0.0000 52026.6410 -109707.9891 298.9978 -161734.6301 -109352.6837 299.4664 -196.2095 -163.8443 760916.4840 8.5320 8.4648 PRESSURE: 1002200 362.328 188.934 -2.46182 188.934 97.0524 121.643 -2.46151 121.643 587.363 GPRESSURE: 1002200 340.418 129.032 -45.1589 253.95 144.284 138.195 -5.15223 151.221 631.106 PRESSAVG: 1002200 4.05557 8.40302 -91.0323 8.40302 -39.1277 35.3669 -91.0323 35.3668 9.48296 GPRESSAVG: 1002200 2.18778 6.97345 -91.0916 10.4431 -38.0456 32.6736 -92.4277 37.1976 10.523 TIMING: 1002200 CPU: 3230.05, 0.00314001/step Wall: 3230.05, 0.00314001/step, 3.48698 hours remaining, 233.375000 MB of memory in use. ENERGY: 1002200 3936.4417 20444.5094 14457.8990 259.3298 -203307.4388 2612.6469 0.0000 0.0000 51873.6945 -109722.9175 298.1188 -161596.6120 -109354.2103 299.0968 348.9145 371.9357 759829.6302 -8.5297 -8.4449 PRESSURE: 1002400 -50.8276 204.571 -95.0239 204.57 -15.466 -144.236 -95.0237 -144.236 169.231 GPRESSURE: 1002400 1.23308 291.565 -139.679 83.4548 6.83959 -184.733 -53.6009 28.2453 203.112 PRESSAVG: 1002400 21.9495 18.2435 -11.8944 18.2434 18.3378 5.96418 -11.8944 5.96421 7.75421 GPRESSAVG: 1002400 24.1749 20.3724 -12.943 19.2518 17.8082 6.41478 -10.9894 4.15005 6.3183 TIMING: 1002400 CPU: 3230.68, 0.00312776/step Wall: 3230.68, 0.00312776/step, 3.47321 hours remaining, 233.375000 MB of memory in use. ENERGY: 1002400 3917.8696 20615.4739 14403.7616 250.9687 -203391.1131 2525.7870 0.0000 0.0000 51884.8620 -109792.3900 298.1830 -161677.2520 -109428.6394 298.5062 34.3126 70.3950 759543.2784 16.0138 16.1005 PRESSURE: 1002600 -195.342 246.429 64.3883 246.429 454.19 -231.433 64.3885 -231.433 219.026 GPRESSURE: 1002600 -119.802 158.893 102.367 277.682 517.722 -232.385 76.4333 -185.951 164.345 PRESSAVG: 1002600 -55.0216 -2.7406 -15.3037 -2.7406 9.26534 -7.66102 -15.3038 -7.66103 0.609957 GPRESSAVG: 1002600 -55.2108 -3.76568 -14.4624 -3.02351 8.18499 -6.39807 -14.1188 -8.34053 1.72797 TIMING: 1002600 CPU: 3231.3, 0.00312665/step Wall: 3231.3, 0.00312665/step, 3.4718 hours remaining, 233.375000 MB of memory in use. ENERGY: 1002600 3992.3877 20412.8721 14474.9829 233.1711 -203456.4343 2670.9445 0.0000 0.0000 51887.3212 -109784.7548 298.1971 -161672.0760 -109423.9132 298.8521 159.2913 187.4219 760533.7879 -15.0488 -15.0993 PRESSURE: 1002800 -72.7935 -109.053 -188.124 -109.052 -149.384 163.703 -188.125 163.704 143.62 GPRESSURE: 1002800 -69.1092 20.4859 -126.233 24.6591 -81.6763 162.718 -186.495 -37.7625 114.128 PRESSAVG: 1002800 -36.0295 -0.111343 35.1 -0.111368 5.04226 25.4027 35.1 25.4026 11.2644 GPRESSAVG: 1002800 -36.8667 -1.04073 36.7897 2.21397 7.08917 24.2417 32.1706 27.0135 10.772 TIMING: 1002800 CPU: 3231.93, 0.00312393/step Wall: 3231.93, 0.00312393/step, 3.46861 hours remaining, 233.375000 MB of memory in use. ENERGY: 1002800 3974.9527 20467.7818 14460.1757 234.3568 -203784.1511 2598.3306 0.0000 0.0000 51844.3283 -110204.2254 297.9501 -162048.5537 -109860.4978 298.2702 -26.1858 -12.2193 759901.0328 -6.5743 -6.3352 PRESSURE: 1003000 -206.014 194.718 -196.745 194.719 -219.004 121.201 -196.746 121.2 363.891 GPRESSURE: 1003000 -218.662 235.795 -122.017 93.9618 -171.142 175.202 -77.2387 124.991 422.997 PRESSAVG: 1003000 -78.945 45.5535 8.94546 45.5536 80.0279 11.0189 8.94549 11.019 -9.80879 GPRESSAVG: 1003000 -79.9036 46.1688 8.60434 42.5856 81.8358 12.2323 11.5499 10.0718 -10.2673 TIMING: 1003000 CPU: 3232.56, 0.0031418/step Wall: 3232.56, 0.0031418/step, 3.48827 hours remaining, 233.375000 MB of memory in use. ENERGY: 1003000 4022.5645 20356.6463 14453.2594 235.2137 -204125.4449 2593.2949 0.0000 0.0000 52256.2615 -110208.2046 300.3175 -162464.4661 -109841.2814 297.7883 -20.3755 11.0643 760092.6682 -2.9086 -2.7784 PRESSURE: 1003200 58.2666 -25.0996 33.6122 -25.0996 -12.9683 215.463 33.6124 215.464 -119.328 GPRESSURE: 1003200 35.0036 -118.133 25.7003 -129.882 73.9237 120.01 14.2104 182.501 -93.46 PRESSAVG: 1003200 -35.2738 -44.9868 -11.7018 -44.9868 59.9714 57.3649 -11.7018 57.365 -10.2083 GPRESSAVG: 1003200 -34.6036 -44.6901 -11.3901 -45.2003 58.3925 55.7944 -12.9496 57.615 -9.52802 TIMING: 1003200 CPU: 3233.19, 0.00313958/step Wall: 3233.19, 0.00313958/step, 3.48564 hours remaining, 233.375000 MB of memory in use. ENERGY: 1003200 3985.3891 20434.4193 14431.7244 254.5696 -203745.6003 2716.1965 0.0000 0.0000 51927.0792 -109996.2223 298.4256 -161923.3014 -109629.7132 297.6857 -24.6765 5.1557 760650.2465 4.8298 4.7536 PRESSURE: 1003400 -151.973 93.0376 40.915 93.0378 75.3267 15.6825 40.9157 15.6831 42.1125 GPRESSURE: 1003400 -198.341 71.3994 -8.31452 87.9156 117.608 -10.2919 -4.58232 64.7823 127.377 PRESSAVG: 1003400 -50.4364 -15.4061 -59.0684 -15.4062 69.4282 17.8791 -59.0684 17.879 15.8266 GPRESSAVG: 1003400 -51.2523 -16.2008 -58.9965 -14.7482 70.1262 16.9109 -58.3296 20.7376 15.6034 TIMING: 1003400 CPU: 3233.81, 0.00313628/step Wall: 3233.81, 0.00313628/step, 3.48179 hours remaining, 233.375000 MB of memory in use. ENERGY: 1003400 3909.1921 20610.4174 14448.9261 259.2464 -203827.1424 2611.3108 0.0000 0.0000 51883.2124 -110104.8371 298.1735 -161988.0496 -109740.9660 298.1219 -11.5113 15.5478 760567.6634 11.6061 11.4925 PRESSURE: 1003600 -368.941 -59.9716 -211.74 -59.9712 -46.9644 211.483 -211.739 211.482 331.864 GPRESSURE: 1003600 -314.893 -133.339 -190.109 -11.1278 32.1388 117.771 -244.811 236.662 282.689 PRESSAVG: 1003600 6.74329 -48.0942 -59.4751 -48.0942 28.0221 4.08628 -59.475 4.08623 20.3616 GPRESSAVG: 1003600 7.28996 -46.6943 -60.7079 -48.8186 27.8768 6.05943 -60.202 3.76776 20.5846 TIMING: 1003600 CPU: 3234.44, 0.00314364/step Wall: 3234.44, 0.00314364/step, 3.48979 hours remaining, 233.375000 MB of memory in use. ENERGY: 1003600 3916.8587 20623.8204 14491.0653 234.5434 -203547.4359 2472.8913 0.0000 0.0000 51829.4629 -109978.7938 297.8646 -161808.2567 -109621.0446 298.3196 -28.0138 -0.0216 759412.8870 18.3756 18.5838 PRESSURE: 1003800 205.199 -85.9922 62.5951 -85.9915 164.672 -174.292 62.5961 -174.292 -131.064 GPRESSURE: 1003800 126.103 -107.825 85.4381 -96.7073 230.243 -51.0759 -13.7536 -250.05 -17.8945 PRESSAVG: 1003800 -27.4663 -22.9933 -13.1718 -22.9933 -16.7473 9.00437 -13.1717 9.00442 23.3667 GPRESSAVG: 1003800 -27.8178 -22.4146 -13.2062 -21.1584 -17.6242 10.178 -14.0317 6.29857 23.4514 TIMING: 1003800 CPU: 3235.07, 0.00314142/step Wall: 3235.07, 0.00314142/step, 3.48715 hours remaining, 233.375000 MB of memory in use. ENERGY: 1003800 3909.1425 20525.7632 14397.7295 239.3250 -203989.5268 2783.3883 0.0000 0.0000 52065.0612 -110069.1170 299.2186 -162134.1782 -109709.1280 298.5737 79.6022 112.8171 760427.4943 -6.9490 -7.3302 PRESSURE: 1004000 118.212 114.287 -99.7544 114.287 296.692 60.6791 -99.7535 60.6805 -148.777 GPRESSURE: 1004000 203.224 98.0649 -108.039 12.0276 335.759 137.812 -47.9793 113.02 -196.682 PRESSAVG: 1004000 -34.979 52.0455 -25.9605 52.0455 10.0048 16.4832 -25.9605 16.4832 -22.7551 GPRESSAVG: 1004000 -35.7089 50.89 -25.6054 50.9352 10.7972 15.137 -26.0562 16.9117 -22.7467 TIMING: 1004000 CPU: 3235.7, 0.00315132/step Wall: 3235.7, 0.00315132/step, 3.49797 hours remaining, 233.375000 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: 1004000 4014.6727 20684.5405 14386.9737 239.2191 -204220.0838 2910.6000 0.0000 0.0000 51899.2855 -110084.7922 298.2659 -161984.0777 -109730.1137 298.8672 88.7088 114.1004 758834.2544 -15.9098 -15.8862 PRESSURE: 1004200 100.6 -39.4581 38.7539 -39.458 -33.1106 15.2662 38.7539 15.2657 -96.7369 GPRESSURE: 1004200 53.8267 -46.863 -51.8736 -17.6594 -6.17639 -44.7466 87.3756 60.9369 -10.2541 PRESSAVG: 1004200 -68.824 22.2447 -42.3213 22.2447 25.5705 27.8296 -42.3213 27.8295 11.5263 GPRESSAVG: 1004200 -67.7254 19.8282 -41.8013 23.0168 24.7265 26.6955 -40.9327 27.662 11.6228 TIMING: 1004200 CPU: 3236.33, 0.00313931/step Wall: 3236.33, 0.00313931/step, 3.48446 hours remaining, 233.375000 MB of memory in use. ENERGY: 1004200 3979.0589 20477.4804 14455.9989 232.5570 -203999.1425 2682.5408 0.0000 0.0000 52114.5221 -110056.9843 299.5029 -162171.5064 -109695.5593 298.3151 -9.7493 12.4654 761408.8766 -10.5758 -10.4587 LDB: ============= START OF LOAD BALANCING ============== 3248.75 LDB: ============== END OF LOAD BALANCING =============== 3248.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3248.75 LDB: ============= START OF LOAD BALANCING ============== 3249.07 LDB: Largest compute 7025 load 0.034197 is 17.5% of average load 0.195488 LDB: Average compute 0.004400 is 2.3% of average load 0.195488 LDB: TIME 3249.07 LOAD: AVG 0.195488 MAX 0.213671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.582 MB LDB: TIME 3249.07 LOAD: AVG 0.195488 MAX 0.213671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.582 MB LDB: TIME 3249.07 LOAD: AVG 0.195488 MAX 0.213671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.582 MB LDB: ============== END OF LOAD BALANCING =============== 3249.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3249.08 PRESSURE: 1004400 314.755 -103.388 110.331 -103.388 70.6252 -113.58 110.331 -113.581 805.852 GPRESSURE: 1004400 292.976 -117.435 81.9394 -66.9788 86.8034 -192.692 90.7089 -61.5536 883.87 PRESSAVG: 1004400 10.6599 -9.31748 14.3564 -9.31743 11.6651 -39.9493 14.3565 -39.9493 -2.99905 GPRESSAVG: 1004400 10.2185 -6.92666 13.5307 -9.44886 11.9936 -39.0705 12.7884 -39.9457 -2.87308 TIMING: 1004400 CPU: 3236.97, 0.00321055/step Wall: 3236.97, 0.00321055/step, 3.56335 hours remaining, 232.285156 MB of memory in use. ENERGY: 1004400 3964.6405 20472.9162 14520.9216 264.2547 -203792.2862 2610.3074 0.0000 0.0000 52006.2290 -109953.0170 298.8805 -161959.2459 -109583.1897 298.4068 397.0774 421.2164 760128.3964 6.4420 6.4463 PRESSURE: 1004600 -151.097 47.8832 -43.8141 47.8825 246.037 42.7496 -43.8145 42.7487 -5.64543 GPRESSURE: 1004600 -126.678 -21.5981 -17.9794 181.517 248.801 18.5489 2.67335 92.8613 34.2787 PRESSAVG: 1004600 6.06902 16.5269 3.3719 16.527 -23.1791 9.04737 3.37189 9.04731 -6.44927 GPRESSAVG: 1004600 5.35254 15.0952 3.56616 16.19 -22.335 9.4364 3.72489 10.8329 -6.21458 TIMING: 1004600 CPU: 3237.6, 0.00316074/step Wall: 3237.6, 0.00316075/step, 3.5079 hours remaining, 232.285156 MB of memory in use. ENERGY: 1004600 4044.0393 20533.5907 14433.1900 242.6564 -203607.5486 2785.4803 0.0000 0.0000 51640.3426 -109928.2493 296.7778 -161568.5919 -109565.1427 298.8283 29.7651 52.1336 761553.0170 -7.8531 -7.7323 PRESSURE: 1004800 4.08889 -340.673 23.0011 -340.674 208.121 -91.5617 23.0008 -91.5622 -120.39 GPRESSURE: 1004800 147.643 -218.553 117.978 -262.844 174.153 -101.837 19.7107 -70.9581 -129.78 PRESSAVG: 1004800 2.77328 14.9848 -19.1017 14.9847 -12.5117 -53.6324 -19.1017 -53.6324 23.6816 GPRESSAVG: 1004800 4.73549 15.3316 -18.4357 16.4001 -13.4511 -56.7321 -18.987 -53.9892 23.1665 TIMING: 1004800 CPU: 3238.24, 0.00317757/step Wall: 3238.24, 0.00317757/step, 3.5264 hours remaining, 232.285156 MB of memory in use. ENERGY: 1004800 4022.4661 20508.3837 14502.8542 255.5506 -203320.2153 2634.1253 0.0000 0.0000 51943.6756 -109453.1599 298.5210 -161396.8355 -109099.9717 298.5280 30.6067 64.0049 761167.0215 4.6478 4.8170 PRESSURE: 1005000 -38.5507 -210.332 132.334 -210.332 -285.198 -86.8263 132.333 -86.8259 -290.498 GPRESSURE: 1005000 9.08955 -196.381 169.28 -190.971 -246.814 -150.945 186.597 -41.3786 -288.432 PRESSAVG: 1005000 46.2677 -60.1516 -13.048 -60.1516 -32.5242 -91.0426 -13.048 -91.0426 -1.73542 GPRESSAVG: 1005000 45.6361 -59.3404 -12.427 -61.8769 -32.2437 -88.7089 -12.5689 -92.2595 -1.22529 TIMING: 1005000 CPU: 3238.88, 0.00318432/step Wall: 3238.88, 0.00318432/step, 3.53371 hours remaining, 232.285156 MB of memory in use. ENERGY: 1005000 4053.9947 20458.5656 14483.5294 250.5696 -203280.0043 2260.2603 0.0000 0.0000 51967.2614 -109805.8233 298.6566 -161773.0847 -109437.2346 299.1770 -204.7489 -175.3855 761442.6337 4.0027 4.0557 PRESSURE: 1005200 -80.0979 152.482 -198.413 152.482 383.05 -51.111 -198.413 -51.1114 -11.3886 GPRESSURE: 1005200 -0.743248 64.5109 -294.811 183.83 381.578 -21.3223 -126.208 56.1521 -18.9717 PRESSAVG: 1005200 82.1616 -59.8794 49.9511 -59.8794 -67.5861 -19.0896 49.951 -19.0897 -17.0239 GPRESSAVG: 1005200 82.038 -59.2707 48.6863 -60.0222 -66.8364 -19.0504 50.6256 -16.9284 -17.6091 TIMING: 1005200 CPU: 3239.5, 0.00314543/step Wall: 3239.5, 0.00314543/step, 3.49038 hours remaining, 232.285156 MB of memory in use. ENERGY: 1005200 3957.0618 20478.9341 14499.1066 240.6728 -203561.6284 2442.2451 0.0000 0.0000 52187.0694 -109756.5386 299.9198 -161943.6081 -109393.5248 298.7997 97.1880 120.6211 758393.9068 -0.8162 -0.8025 PRESSURE: 1005400 -328.59 56.8102 -29.3849 56.8097 -163.147 259.14 -29.3859 259.14 210.116 GPRESSURE: 1005400 -250.53 37.1686 8.20442 31.3291 -167.097 207.501 -21.1541 237.99 210.556 PRESSAVG: 1005400 -1.91366 -6.75333 63.7871 -6.75332 58.9956 -16.0418 63.787 -16.0419 -7.90427 GPRESSAVG: 1005400 -2.72608 -7.76014 64.7086 -5.91491 58.7289 -17.7265 62.9567 -17.6025 -7.38176 TIMING: 1005400 CPU: 3240.13, 0.00314588/step Wall: 3240.13, 0.00314588/step, 3.4907 hours remaining, 232.285156 MB of memory in use. ENERGY: 1005400 3950.0113 20490.0166 14553.7280 250.4747 -203144.8933 2278.7309 0.0000 0.0000 51910.2325 -109711.6993 298.3288 -161621.9318 -109354.3582 298.8961 -93.8738 -69.0234 761919.8445 16.3926 16.2070 PRESSURE: 1005600 -197.154 -110.188 11.4267 -110.188 -126.54 -60.9332 11.4278 -60.9327 392.123 GPRESSURE: 1005600 -147.933 46.4919 -37.1388 -145.651 -37.5326 37.1787 -25.1826 1.13995 334.616 PRESSAVG: 1005600 43.3285 6.50921 56.1154 6.50925 12.8598 18.2374 56.1155 18.2374 15.8127 GPRESSAVG: 1005600 44.0439 7.33062 56.7574 6.1876 12.8366 20.5816 54.6462 19.3868 14.8888 TIMING: 1005600 CPU: 3240.76, 0.00314821/step Wall: 3240.76, 0.00314821/step, 3.49312 hours remaining, 232.285156 MB of memory in use. ENERGY: 1005600 3977.1949 20507.2704 14465.1807 266.7699 -203275.2817 2361.6425 0.0000 0.0000 52167.1564 -109530.0669 299.8054 -161697.2233 -109161.5874 299.3196 22.8098 49.7169 760612.9857 24.0003 23.9231 PRESSURE: 1005800 -31.8257 -78.1375 83.0072 -78.1378 -5.40313 -151.345 83.0071 -151.345 113.492 GPRESSURE: 1005800 36.936 -48.7848 108.083 -104.236 -50.6676 -124.071 121.088 -207.236 178.747 PRESSAVG: 1005800 55.894 -34.9435 40.8318 -34.9435 -33.9128 -45.1075 40.8318 -45.1075 -12.345 GPRESSAVG: 1005800 54.9775 -36.2902 38.0509 -33.3568 -34.3725 -46.6425 43.0469 -42.8064 -11.0629 TIMING: 1005800 CPU: 3241.39, 0.00313842/step Wall: 3241.39, 0.00313842/step, 3.48208 hours remaining, 232.285156 MB of memory in use. ENERGY: 1005800 4020.1915 20679.0720 14532.0111 253.6914 -203589.5018 2588.3756 0.0000 0.0000 51999.5002 -109516.6601 298.8418 -161516.1602 -109156.2294 299.8458 25.4212 55.0050 760428.6629 3.2121 3.1807 PRESSURE: 1006000 287.276 117.226 -9.34621 117.227 -74.483 93.2868 -9.3469 93.2871 649.872 GPRESSURE: 1006000 273.963 15.8175 -58.7176 39.0127 31.274 -7.14652 89.745 37.1925 645.124 PRESSAVG: 1006000 42.9879 3.30323 19.4575 3.3033 -17.9937 17.6247 19.4575 17.6247 -1.97031 GPRESSAVG: 1006000 42.0161 5.91071 21.1002 -0.220455 -16.7551 16.6881 18.7234 14.5481 -2.55276 TIMING: 1006000 CPU: 3242.02, 0.00316048/step Wall: 3242.02, 0.00316048/step, 3.50638 hours remaining, 232.285156 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: 1006000 3998.3541 20553.4669 14456.6274 265.3328 -204049.1805 3024.8742 0.0000 0.0000 52231.8116 -109518.7133 300.1769 -161750.5250 -109169.7944 299.1740 287.5549 316.7868 760051.0771 7.6746 7.5694 PRESSURE: 1006200 -405.121 90.2699 -148.297 90.2703 114.318 -247.502 -148.297 -247.502 106.227 GPRESSURE: 1006200 -305.686 135.521 -93.1185 48.8956 82.9815 -324.392 -105.414 -260.897 127.738 PRESSAVG: 1006200 1.59254 -3.91994 17.5429 -3.91991 -4.50553 -12.7408 17.5429 -12.7408 -1.65941 GPRESSAVG: 1006200 2.12962 -6.72833 16.9859 -1.71141 -5.08467 -11.7583 20.1061 -14.6194 -1.27014 TIMING: 1006200 CPU: 3242.65, 0.00315319/step Wall: 3242.65, 0.00315319/step, 3.49811 hours remaining, 232.285156 MB of memory in use. ENERGY: 1006200 3911.6558 20506.2433 14502.3081 254.2529 -203067.0645 2294.6008 0.0000 0.0000 52010.5733 -109587.4303 298.9055 -161598.0036 -109226.4429 299.6591 -61.5249 -31.6554 761530.1645 -1.5241 -1.4084 PRESSURE: 1006400 -44.3983 30.6322 -45.1317 30.6318 207.941 -122.136 -45.1319 -122.136 0.13198 GPRESSURE: 1006400 29.39 -79.0654 -16.5186 3.53752 156.135 2.47226 -59.7157 -151.796 46.4877 PRESSAVG: 1006400 -49.5549 46.0553 -4.73968 46.0552 -7.06875 -20.7614 -4.73969 -20.7615 -1.72979 GPRESSAVG: 1006400 -48.525 47.5861 -4.99622 44.1342 -7.85593 -20.3475 -5.17154 -20.2104 -2.11369 TIMING: 1006400 CPU: 3243.29, 0.00316016/step Wall: 3243.29, 0.00316016/step, 3.50567 hours remaining, 232.285156 MB of memory in use. ENERGY: 1006400 4013.4196 20498.6871 14463.8869 257.0644 -203757.2380 2771.1524 0.0000 0.0000 52132.7286 -109620.2990 299.6075 -161753.0276 -109257.9995 299.0785 54.5583 77.3374 760589.0278 -19.4511 -19.4982 PRESSURE: 1006600 -43.4326 -111.57 26.4485 -111.57 359.502 -72.0138 26.4482 -72.0144 83.8111 GPRESSURE: 1006600 -50.8902 -0.14613 46.0927 43.4092 464.819 -121.379 72.4679 -46.9879 84.2294 PRESSAVG: 1006600 -40.1869 -8.46903 26.0045 -8.469 3.02743 25.0877 26.0045 25.0877 0.695465 GPRESSAVG: 1006600 -41.0337 -8.01351 27.4223 -6.84494 3.6982 23.7463 25.4296 27.4547 1.33425 TIMING: 1006600 CPU: 3243.92, 0.00315533/step Wall: 3243.92, 0.00315533/step, 3.50014 hours remaining, 232.285156 MB of memory in use. ENERGY: 1006600 3992.9560 20527.2555 14531.9996 242.0609 -203650.8554 2817.2877 0.0000 0.0000 51970.0161 -109569.2797 298.6724 -161539.2958 -109208.1904 299.1560 133.2934 166.0528 759643.6368 -12.1547 -12.0004 PRESSURE: 1006800 -395.151 -86.8289 -6.46666 -86.8286 -29.5064 -144.194 -6.46638 -144.194 56.6187 GPRESSURE: 1006800 -310.925 -65.1763 66.9978 -152.992 18.0352 -114.805 18.4744 37.3139 19.7734 PRESSAVG: 1006800 17.773 11.925 31.6231 11.925 24.1342 9.86761 31.6232 9.86758 5.45626 GPRESSAVG: 1006800 17.8325 12.0729 31.9702 10.3511 24.8763 10.0703 30.7696 9.61902 5.01898 TIMING: 1006800 CPU: 3244.54, 0.00314045/step Wall: 3244.54, 0.00314045/step, 3.48346 hours remaining, 232.285156 MB of memory in use. ENERGY: 1006800 4093.6227 20520.7646 14475.9037 263.6729 -203262.1330 2549.7381 0.0000 0.0000 51789.5420 -109568.8890 297.6352 -161358.4309 -109212.3128 299.4319 -122.6797 -91.0388 759934.2401 15.7878 15.9093 PRESSURE: 1007000 -420.008 -23.3003 20.8847 -23.2999 -210.065 -113.573 20.8848 -113.573 144.436 GPRESSURE: 1007000 -379.076 38.5288 -14.8531 -41.2411 -210.133 -29.945 79.534 -51.7156 203.847 PRESSAVG: 1007000 -63.5898 15.9467 4.46605 15.9467 46.7802 12.6254 4.46605 12.6253 6.98939 GPRESSAVG: 1007000 -63.4198 15.6459 3.80724 17.2673 46.1375 12.7592 3.27609 12.2707 7.07979 TIMING: 1007000 CPU: 3245.17, 0.00314444/step Wall: 3245.17, 0.00314444/step, 3.48771 hours remaining, 232.285156 MB of memory in use. ENERGY: 1007000 4060.2916 20508.8339 14469.1673 249.6716 -203261.6072 2332.6289 0.0000 0.0000 52135.5924 -109505.4215 299.6240 -161641.0139 -109145.9426 298.9142 -161.8793 -128.4538 762031.1326 -3.2734 -3.4008 PRESSURE: 1007200 -158.356 -264.53 -181.22 -264.53 70.1214 104.428 -181.22 104.427 -140.623 GPRESSURE: 1007200 -128.403 -164.884 -226.701 -203.724 173.125 169.715 -103.924 43.8066 -185.872 PRESSAVG: 1007200 -7.83373 0.905832 -2.83862 0.905774 20.1223 34.5613 -2.83863 34.5614 -0.565424 GPRESSAVG: 1007200 -6.24178 0.931975 -2.47506 0.873176 20.0238 35.761 -1.10884 33.2216 -2.0808 TIMING: 1007200 CPU: 3245.81, 0.0031623/step Wall: 3245.81, 0.0031623/step, 3.50735 hours remaining, 232.285156 MB of memory in use. ENERGY: 1007200 4073.9765 20527.8373 14425.4699 254.6515 -203615.2357 2580.0544 0.0000 0.0000 52209.7516 -109543.4945 300.0502 -161753.2461 -109184.0501 299.4472 -76.2857 -47.0502 759501.2044 3.9077 3.9004 PRESSURE: 1007400 173.638 145.333 -58.037 145.332 74.0557 -112.552 -58.0376 -112.551 -15.3093 GPRESSURE: 1007400 144.856 165.657 -36.7113 121.997 101.037 -162.38 21.8901 -65.2605 85.7961 PRESSAVG: 1007400 -13.334 -19.1734 -40.9263 -19.1734 -3.41235 -0.634633 -40.9263 -0.634649 -13.7079 GPRESSAVG: 1007400 -13.4127 -21.7038 -41.3278 -17.8575 -4.23784 -1.25947 -41.8415 -1.22075 -12.6131 TIMING: 1007400 CPU: 3246.44, 0.00317655/step Wall: 3246.44, 0.00317655/step, 3.52297 hours remaining, 232.285156 MB of memory in use. ENERGY: 1007400 3983.1279 20621.3443 14468.1410 233.6111 -203319.9387 2361.8531 0.0000 0.0000 52028.3414 -109623.5198 299.0076 -161651.8613 -109268.7629 298.9679 77.4614 110.5633 759150.8047 -10.1514 -10.0879 PRESSURE: 1007600 -88.6561 -52.0696 86.632 -52.0691 -324.308 -116.754 86.6327 -116.756 -127.133 GPRESSURE: 1007600 -41.7628 -50.0445 23.7774 -123.165 -269.967 -73.2742 70.9477 -123.095 -145.845 PRESSAVG: 1007600 10.2879 -13.5531 17.7685 -13.5531 -11.4073 6.53222 17.7685 6.53225 -10.4814 GPRESSAVG: 1007600 10.6027 -9.87589 18.4183 -14.7433 -11.2531 5.08802 16.5162 8.67172 -11.3739 TIMING: 1007600 CPU: 3247.08, 0.00318509/step Wall: 3247.08, 0.00318509/step, 3.53227 hours remaining, 232.285156 MB of memory in use. ENERGY: 1007600 3971.3721 20394.1204 14501.6238 244.5465 -203209.1865 2320.2935 0.0000 0.0000 52117.6486 -109659.5818 299.5208 -161777.2304 -109288.8699 299.0303 -180.0323 -152.5251 760076.1372 -3.8669 -4.0081 PRESSURE: 1007800 363.292 7.89917 5.9073 7.89854 -197.468 164.967 5.90722 164.967 268.75 GPRESSURE: 1007800 378.149 25.4712 -0.74468 -8.10505 -110.984 115.66 -73.8912 42.8216 261.277 PRESSAVG: 1007800 -8.93936 21.8706 8.60916 21.8705 -6.57636 -13.8123 8.60913 -13.8124 -3.0015 GPRESSAVG: 1007800 -9.49654 19.2149 7.20787 21.5723 -6.02103 -13.2294 10.2566 -11.8121 -2.34598 TIMING: 1007800 CPU: 3247.71, 0.00316132/step Wall: 3247.71, 0.00316132/step, 3.50573 hours remaining, 232.285156 MB of memory in use. ENERGY: 1007800 4050.0986 20610.7410 14532.4259 243.9210 -203380.3843 2588.9037 0.0000 0.0000 51845.5035 -109508.7906 297.9568 -161354.2941 -109146.3042 299.2587 144.8579 176.1476 760241.8592 -6.1724 -5.9545 PRESSURE: 1008000 -222.095 -180.205 139.559 -180.204 -529.999 202.179 139.559 202.18 368.312 GPRESSURE: 1008000 -164.047 -102.771 79.0405 -152.15 -420.408 209.803 215.821 42.3206 294.199 PRESSAVG: 1008000 38.0936 -16.3226 32.8941 -16.3225 8.54387 12.3727 32.8941 12.3727 3.77818 GPRESSAVG: 1008000 37.0076 -14.5252 33.3459 -17.451 9.54126 12.6875 34.0309 8.89258 4.15853 TIMING: 1008000 CPU: 3248.35, 0.00319384/step Wall: 3248.35, 0.00319384/step, 3.54162 hours remaining, 232.285156 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: 1008000 3979.8852 20554.4726 14518.2011 246.7329 -202802.7546 2109.7190 0.0000 0.0000 52167.4070 -109226.3368 299.8068 -161393.7438 -108868.5902 299.4933 -127.9273 -96.7518 761094.8762 16.8052 16.9025 PRESSURE: 1008200 294.676 -226.652 66.9103 -226.654 28.4952 -27.5842 66.9115 -27.5851 -347.516 GPRESSURE: 1008200 243.374 -208.073 110.355 -25.1573 87.4736 4.95951 -99.8926 -37.9647 -287.126 PRESSAVG: 1008200 38.9374 -14.4783 -10.8933 -14.4783 -20.1231 -26.8567 -10.8934 -26.8568 -3.63891 GPRESSAVG: 1008200 39.1631 -14.4639 -9.99159 -12.8684 -20.2143 -25.7103 -11.9322 -28.4843 -3.83116 TIMING: 1008200 CPU: 3248.98, 0.00314141/step Wall: 3248.98, 0.00314141/step, 3.4833 hours remaining, 232.285156 MB of memory in use. ENERGY: 1008200 3973.0069 20431.9250 14548.9123 235.0717 -203271.9707 2501.7806 0.0000 0.0000 52285.0320 -109296.2422 300.4828 -161581.2743 -108939.6695 300.0682 -8.1149 14.5738 761086.1776 5.0584 5.0392 LDB: ============= START OF LOAD BALANCING ============== 3261.4 LDB: ============== END OF LOAD BALANCING =============== 3261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.4 LDB: ============= START OF LOAD BALANCING ============== 3261.72 LDB: Largest compute 7057 load 0.035295 is 18.1% of average load 0.195455 LDB: Average compute 0.004401 is 2.3% of average load 0.195455 LDB: TIME 3261.72 LOAD: AVG 0.195455 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.02 MB LDB: TIME 3261.72 LOAD: AVG 0.195455 MAX 0.216707 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.059 MB LDB: TIME 3261.72 LOAD: AVG 0.195455 MAX 0.216707 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.059 MB LDB: ============== END OF LOAD BALANCING =============== 3261.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.73 PRESSURE: 1008400 -297.951 -28.3469 35.1279 -28.3468 179.093 1.88549 35.128 1.88513 364.204 GPRESSURE: 1008400 -241.877 -0.00817828 93.3074 -25.694 122.411 -33.7853 70.8202 111.271 438.558 PRESSAVG: 1008400 43.0768 -29.3287 21.0279 -29.3286 -48.7043 -44.5268 21.0279 -44.5268 -24.5313 GPRESSAVG: 1008400 43.6008 -29.6299 19.5954 -30.244 -49.0495 -45.2031 22.2676 -43.3429 -25.4183 TIMING: 1008400 CPU: 3249.62, 0.00321855/step Wall: 3249.62, 0.00321855/step, 3.56865 hours remaining, 231.136719 MB of memory in use. ENERGY: 1008400 4037.7468 20390.7996 14489.3099 235.0863 -203064.2142 2461.8548 0.0000 0.0000 51934.5113 -109514.9055 298.4684 -161449.4168 -109149.8960 299.2843 81.7822 106.3643 760681.6586 -10.0529 -10.2890 PRESSURE: 1008600 -376.044 -6.71878 132.759 -6.71802 208.221 123.997 132.759 123.996 -348.827 GPRESSURE: 1008600 -206.24 -6.69893 156.761 -76.7335 91.4776 203.526 -15.6055 -13.3742 -331.382 PRESSAVG: 1008600 -7.98013 -40.6979 -2.25733 -40.6979 0.839366 44.1907 -2.25736 44.1907 8.74812 GPRESSAVG: 1008600 -8.44421 -41.1729 -1.67277 -42.3036 1.71415 44.3646 -4.59126 46.7122 8.28274 TIMING: 1008600 CPU: 3250.26, 0.00317134/step Wall: 3250.26, 0.00317134/step, 3.51614 hours remaining, 231.339844 MB of memory in use. ENERGY: 1008600 3983.7221 20557.7041 14497.2415 255.9463 -203212.9763 2180.2815 0.0000 0.0000 52126.4833 -109611.5975 299.5716 -161738.0808 -109245.3964 299.2539 -172.2169 -148.7146 758791.6274 0.5358 0.5176 PRESSURE: 1008800 -90.8198 -69.9755 46.6369 -69.9762 -0.795458 94.8878 46.637 94.8878 111.491 GPRESSURE: 1008800 4.8658 -10.1736 5.82873 -92.6377 4.55295 82.1673 40.9068 -7.91808 98.0112 PRESSAVG: 1008800 -0.999135 -3.20643 40.1615 -3.20639 1.19408 22.8972 40.1615 22.8973 -2.63061 GPRESSAVG: 1008800 -0.746949 -4.43432 41.061 -2.42254 -0.686633 22.215 42.0607 21.9088 -0.704764 TIMING: 1008800 CPU: 3250.89, 0.00316609/step Wall: 3250.89, 0.00316609/step, 3.51013 hours remaining, 231.339844 MB of memory in use. ENERGY: 1008800 3935.2406 20433.1917 14500.4125 256.7096 -202963.2263 2322.5102 0.0000 0.0000 51810.3128 -109704.8488 297.7546 -161515.1616 -109343.3515 298.9540 6.6252 35.8100 758471.1203 -0.8119 -0.7128 PRESSURE: 1009000 75.5325 -226.902 117.68 -226.901 236.316 23.4031 117.68 23.4029 -312.316 GPRESSURE: 1009000 152.784 -209.063 55.6101 -300.518 244.353 -23.9978 117.125 63.9311 -317.388 PRESSAVG: 1009000 18.1949 8.65446 31.5495 8.65445 -38.8352 44.1435 31.5495 44.1435 17.944 GPRESSAVG: 1009000 19.0477 8.89 29.8982 9.54947 -37.7124 45.5276 31.5983 43.3867 15.6746 TIMING: 1009000 CPU: 3251.52, 0.00316608/step Wall: 3251.52, 0.00316607/step, 3.50995 hours remaining, 231.339844 MB of memory in use. ENERGY: 1009000 4048.6248 20492.5927 14484.6768 258.7000 -203711.3412 2791.4024 0.0000 0.0000 51929.5810 -109705.7635 298.4400 -161635.3445 -109348.6358 298.9397 -0.1561 26.5830 759033.5231 -0.8987 -0.9967 PRESSURE: 1009200 -58.6967 89.6902 148.187 89.6907 -64.0476 218.716 148.187 218.718 -236.939 GPRESSURE: 1009200 10.1525 -3.19147 76.8402 83.305 -24.4527 209.601 147.034 19.0345 -254.395 PRESSAVG: 1009200 -24.2803 -4.31477 -16.38 -4.31478 40.7887 19.7783 -16.38 19.7783 -6.00105 GPRESSAVG: 1009200 -24.5277 -4.61048 -16.9153 -5.94498 39.5782 18.7335 -16.4968 19.9247 -4.41553 TIMING: 1009200 CPU: 3252.16, 0.00318791/step Wall: 3252.16, 0.00318791/step, 3.53398 hours remaining, 231.339844 MB of memory in use. ENERGY: 1009200 3983.4377 20430.3860 14521.4522 253.0223 -203272.7848 2436.8061 0.0000 0.0000 52061.1661 -109586.5144 299.1962 -161647.6805 -109224.4277 298.6270 -119.8944 -89.5650 759362.4797 3.5025 3.5450 PRESSURE: 1009400 -165.322 -228.977 273.736 -228.977 18.7458 113.695 273.735 113.695 -38.8348 GPRESSURE: 1009400 -131.888 -188.092 197.073 -101.965 119.217 43.088 312.889 65.638 -76.5934 PRESSAVG: 1009400 16.1855 2.19081 18.4319 2.19075 19.8009 41.2064 18.4319 41.2064 -4.55193 GPRESSAVG: 1009400 15.6898 2.82448 18.3474 3.98104 20.635 40.2966 18.9701 42.0542 -4.72181 TIMING: 1009400 CPU: 3252.8, 0.00319151/step Wall: 3252.8, 0.00319151/step, 3.53779 hours remaining, 231.339844 MB of memory in use. ENERGY: 1009400 4059.1063 20539.0055 14483.2599 256.8056 -202980.3855 2149.2409 0.0000 0.0000 51821.5564 -109671.4109 297.8192 -161492.9673 -109318.0423 299.2145 -61.8037 -29.7548 760239.1393 10.4781 10.5343 PRESSURE: 1009600 488.467 -30.4452 -72.8599 -30.4464 131.042 -279.006 -72.8603 -279.007 142.225 GPRESSURE: 1009600 477.321 -137.841 -94.4416 -157.778 189.231 -300.386 2.01185 -145.946 167.88 PRESSAVG: 1009600 28.8771 -24.6129 58.7995 -24.6128 3.68598 -12.2084 58.7995 -12.2084 17.1203 GPRESSAVG: 1009600 27.9923 -23.7547 59.4966 -23.5886 5.32234 -11.4986 59.4165 -13.909 16.6947 TIMING: 1009600 CPU: 3253.44, 0.00319269/step Wall: 3253.44, 0.00319269/step, 3.53892 hours remaining, 231.339844 MB of memory in use. ENERGY: 1009600 4096.6428 20517.6699 14491.8108 243.0375 -203515.2934 2545.9496 0.0000 0.0000 52148.5314 -109471.6515 299.6983 -161620.1829 -109111.0531 299.5022 253.9109 278.1440 757499.7677 16.5611 16.6698 PRESSURE: 1009800 185.577 69.4084 -228.33 69.4085 491.316 -92.2711 -228.33 -92.2706 614.169 GPRESSURE: 1009800 210.807 29.1074 -186.422 70.9955 519.881 -72.9425 -235.975 -54.7108 630.274 PRESSAVG: 1009800 -34.1793 -70.2179 1.21429 -70.2179 16.9977 13.4272 1.21426 13.4273 12.6451 GPRESSAVG: 1009800 -33.7089 -70.5578 1.69635 -71.8209 15.3722 12.8423 -0.617517 17.6837 13.5618 TIMING: 1009800 CPU: 3254.08, 0.00320631/step Wall: 3254.08, 0.00320631/step, 3.55383 hours remaining, 231.339844 MB of memory in use. ENERGY: 1009800 4016.3117 20493.8840 14497.9644 256.3139 -203451.0199 2563.4185 0.0000 0.0000 52190.2258 -109432.9018 299.9379 -161623.1275 -109066.7329 299.9166 430.3541 453.6541 760456.1932 -1.5122 -1.5916 PRESSURE: 1010000 -128.664 101.933 -13.9941 101.934 -38.2891 -128.78 -13.9939 -128.78 -61.9347 GPRESSURE: 1010000 -14.3102 22.2367 -57.0133 173.857 -78.3985 -162.448 -28.3771 -116.072 -56.5133 PRESSAVG: 1010000 -26.0651 -57.5969 6.74885 -57.5968 4.79249 -0.527098 6.74878 -0.527001 -4.86537 GPRESSAVG: 1010000 -25.498 -56.7579 7.22738 -59.2172 4.31684 0.495098 6.92265 -1.59235 -5.26228 TIMING: 1010000 CPU: 3254.72, 0.00319353/step Wall: 3254.72, 0.00319353/step, 3.53949 hours remaining, 231.339844 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: 1010000 3977.1261 20459.4705 14485.5340 239.8413 -202791.7479 2125.0045 0.0000 0.0000 52121.2605 -109383.5109 299.5416 -161504.7714 -109015.3965 299.5669 -76.2960 -49.7406 763319.0515 -8.7127 -8.8145 PRESSURE: 1010200 -151.906 -146.266 78.2859 -146.267 -187.933 43.2038 78.2862 43.2037 -332.346 GPRESSURE: 1010200 -105.483 -166.605 48.4883 -170.059 -183.051 47.0107 153.739 75.3372 -300.262 PRESSAVG: 1010200 47.8296 -65.1082 -12.7633 -65.1082 -39.4387 -5.14471 -12.7633 -5.14462 -8.72828 GPRESSAVG: 1010200 47.3272 -64.257 -14.778 -64.4898 -39.3293 -6.91307 -11.7454 -6.7026 -8.80482 TIMING: 1010200 CPU: 3255.36, 0.00321311/step Wall: 3255.36, 0.00321311/step, 3.56102 hours remaining, 231.339844 MB of memory in use. ENERGY: 1010200 3963.3681 20408.1238 14426.1654 254.3937 -202957.4914 2271.8274 0.0000 0.0000 52121.0864 -109512.5266 299.5406 -161633.6130 -109153.2132 299.1810 -224.0615 -196.2653 762750.4341 -0.1124 -0.2690 PRESSURE: 1010400 -228.753 89.2285 -60.8207 89.2291 -92.5649 -166.335 -60.8203 -166.335 148.533 GPRESSURE: 1010400 -147.206 -74.6189 -8.77336 36.383 -72.7295 -125.665 -95.2156 -159.873 139.606 PRESSAVG: 1010400 43.9249 -65.1376 2.74251 -65.1377 -2.16802 -60.4944 2.74247 -60.4943 -12.4913 GPRESSAVG: 1010400 44.584 -65.7285 5.68518 -64.6178 -2.92041 -59.5855 -0.0660118 -59.8178 -13.0397 TIMING: 1010400 CPU: 3256, 0.00319919/step Wall: 3256, 0.00319919/step, 3.54542 hours remaining, 231.339844 MB of memory in use. ENERGY: 1010400 3995.3473 20506.6484 14423.6504 249.0955 -203502.8540 2446.5991 0.0000 0.0000 52009.6010 -109871.9122 298.8999 -161881.5132 -109523.5940 298.4931 -57.5951 -26.7767 759126.9792 9.7552 9.5413 PRESSURE: 1010600 -0.858432 -59.9853 91.0032 -59.9855 206.214 173.738 91.0026 173.736 128.106 GPRESSURE: 1010600 122.659 -101.134 71.5496 -65.6047 198.008 129.779 32.379 198.733 98.4848 PRESSAVG: 1010600 3.44962 22.1998 20.9603 22.1997 -43.3788 -14.0914 20.9603 -14.0915 3.09802 GPRESSAVG: 1010600 4.49887 20.3206 17.9759 23.1775 -43.7519 -12.3856 24.471 -14.9425 2.12451 TIMING: 1010600 CPU: 3256.64, 0.00319421/step Wall: 3256.64, 0.00319421/step, 3.53972 hours remaining, 231.339844 MB of memory in use. ENERGY: 1010600 3957.7703 20384.0957 14419.0768 233.7647 -203364.1863 2644.5540 0.0000 0.0000 52006.2312 -109718.6935 298.8805 -161724.9247 -109349.6362 298.9360 111.1538 139.7171 760562.6876 -12.2770 -12.3762 PRESSURE: 1010800 -378.731 120.106 -272.313 120.106 118.911 -93.9605 -272.312 -93.9608 -410.881 GPRESSURE: 1010800 -358.273 -26.9135 -295.32 144.074 175.933 -187.68 -84.8024 22.0764 -403.187 PRESSAVG: 1010800 -37.6044 -51.9673 23.1385 -51.9673 25.5191 55.5797 23.1385 55.5796 9.96957 GPRESSAVG: 1010800 -39.2444 -52.1854 24.1217 -52.4671 26.2473 53.2796 24.2162 56.5512 10.9364 TIMING: 1010800 CPU: 3257.28, 0.0031895/step Wall: 3257.28, 0.0031895/step, 3.53432 hours remaining, 231.339844 MB of memory in use. ENERGY: 1010800 3984.2935 20432.5034 14463.8060 253.5634 -203062.2241 2437.9553 0.0000 0.0000 51691.4359 -109798.6666 297.0714 -161490.1025 -109434.4147 298.3248 -223.5670 -195.1756 761998.9792 -0.7053 -0.6869 PRESSURE: 1011000 -161.989 115.404 214.383 115.404 -2.95147 -39.0013 214.384 -39.0012 -97.1504 GPRESSURE: 1011000 -199.503 63.5995 192.117 121.954 25.0464 -88.7823 163.026 25.9539 -23.0048 PRESSAVG: 1011000 -29.448 -32.1723 20.1247 -32.1724 51.3693 26.649 20.1246 26.6489 -15.9406 GPRESSAVG: 1011000 -28.4292 -31.6329 18.5324 -31.9682 50.6028 25.624 17.42 26.4099 -15.8021 TIMING: 1011000 CPU: 3257.91, 0.00318459/step Wall: 3257.91, 0.00318459/step, 3.5287 hours remaining, 231.339844 MB of memory in use. ENERGY: 1011000 3970.7252 20466.7556 14471.9074 245.2605 -203043.5086 2295.9792 0.0000 0.0000 51955.0907 -109637.7899 298.5866 -161592.8807 -109285.3573 299.1950 -87.3636 -65.8206 761762.2254 1.9935 2.1238 PRESSURE: 1011200 340.961 52.5593 127.266 52.5596 28.0027 -74.0689 127.267 -74.0687 -35.5107 GPRESSURE: 1011200 317.102 178.765 38.8188 104.743 107.236 -14.9456 87.3162 3.13204 -9.92059 PRESSAVG: 1011200 18.4424 9.19349 15.3624 9.19353 -31.7614 46.1781 15.3625 46.1781 7.46535 GPRESSAVG: 1011200 17.9185 11.7619 17.6772 8.47908 -31.4934 46.6292 16.8271 45.4819 8.27933 TIMING: 1011200 CPU: 3258.54, 0.00315833/step Wall: 3258.54, 0.00315833/step, 3.49943 hours remaining, 231.339844 MB of memory in use. ENERGY: 1011200 4004.6452 20400.1363 14532.2450 226.2174 -203822.6667 2796.6942 0.0000 0.0000 52118.5532 -109744.1753 299.5260 -161862.7285 -109379.0199 299.3362 111.1509 138.1390 760255.7633 -1.9512 -1.7652 PRESSURE: 1011400 125.334 63.3438 109.081 63.3439 278.643 53.027 109.08 53.0269 -211.52 GPRESSURE: 1011400 247.677 21.2888 97.775 65.2562 244.646 -0.783498 79.7367 20.1434 -233.194 PRESSAVG: 1011400 34.8438 -26.7607 52.1253 -26.7607 -59.4656 61.8663 52.1253 61.8662 23.2365 GPRESSAVG: 1011400 34.1837 -28.9523 52.8625 -24.7532 -57.8684 63.3887 49.8019 62.6735 22.1509 TIMING: 1011400 CPU: 3259.18, 0.00316372/step Wall: 3259.18, 0.00316372/step, 3.50522 hours remaining, 231.339844 MB of memory in use. ENERGY: 1011400 3983.5909 20471.4000 14449.9649 237.6698 -204090.1808 2998.4508 0.0000 0.0000 52331.1883 -109617.9160 300.7481 -161949.1043 -109264.2237 298.8729 64.1524 86.3763 761975.0548 -0.4618 -0.5113 PRESSURE: 1011600 -94.7863 -187.488 -83.1815 -187.488 274.903 91.2584 -83.181 91.259 390.953 GPRESSURE: 1011600 -87.9317 -187.533 -91.4299 -195.672 314.131 76.7538 -32.3376 188.214 430.622 PRESSAVG: 1011600 30.8155 -59.9408 7.56169 -59.9408 40.8076 14.1022 7.56169 14.1023 -15.3644 GPRESSAVG: 1011600 31.4592 -61.5983 5.57063 -60.3665 38.4876 14.0141 9.51105 13.8201 -13.973 TIMING: 1011600 CPU: 3259.81, 0.00316031/step Wall: 3259.81, 0.00316031/step, 3.50128 hours remaining, 231.339844 MB of memory in use. ENERGY: 1011600 3965.7889 20543.0040 14490.3261 233.4226 -203755.3738 2940.3206 0.0000 0.0000 52142.5954 -109439.9161 299.6642 -161582.5116 -109076.7770 299.3771 190.3565 218.9402 761905.5055 18.7529 18.6579 PRESSURE: 1011800 -185.737 63.3742 -188.624 63.375 -50.0899 127.474 -188.625 127.474 -15.2204 GPRESSURE: 1011800 -99.7634 -38.2579 -196.38 35.4129 -64.4237 44.0926 -87.1104 1.55235 -2.4461 PRESSAVG: 1011800 7.69534 -27.5537 40.7228 -27.5537 5.96445 54.1898 40.7228 54.1897 -13.7507 GPRESSAVG: 1011800 6.5631 -25.9263 41.938 -27.3867 6.93107 55.3226 40.4322 52.11 -13.711 TIMING: 1011800 CPU: 3260.44, 0.00315803/step Wall: 3260.44, 0.00315803/step, 3.49858 hours remaining, 231.339844 MB of memory in use. ENERGY: 1011800 3912.3498 20394.3618 14457.3263 251.1225 -203237.6252 2620.8099 0.0000 0.0000 52237.1334 -109364.5214 300.2075 -161601.6548 -108994.5008 299.6415 -83.6824 -55.5444 763976.8787 -0.0303 -0.0723 PRESSURE: 1012000 145.746 -210.684 -139.375 -210.683 -11.6232 114.588 -139.374 114.589 -110.478 GPRESSURE: 1012000 149.339 -135.404 -108.425 -248.041 105.649 198.921 -90.2802 13.6954 -145.771 PRESSAVG: 1012000 33.4971 -1.15581 -43.4987 -1.15581 -19.0449 -18.3645 -43.4988 -18.3645 15.9873 GPRESSAVG: 1012000 34.1959 -1.55299 -44.5504 -1.89932 -18.5241 -19.5529 -43.1233 -16.6885 14.4217 TIMING: 1012000 CPU: 3261.07, 0.00315219/step Wall: 3261.07, 0.00315219/step, 3.49193 hours remaining, 231.339844 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: 1012000 4047.0161 20447.1958 14413.4724 231.2835 -203510.1751 2949.4186 0.0000 0.0000 52232.8299 -109188.9589 300.1828 -161421.7888 -108817.2701 299.6330 7.8816 36.4057 763228.1816 10.1465 10.0312 PRESSURE: 1012200 118.726 65.131 -91.5884 65.1311 -107.835 -87.3544 -91.5889 -87.3529 -84.0022 GPRESSURE: 1012200 106.914 5.74421 -91.3682 122.102 -38.5218 -66.0388 -214.615 -66.915 -57.4529 PRESSAVG: 1012200 37.7825 -30.685 21.4632 -30.685 -41.6957 -24.8188 21.4633 -24.8189 10.3969 GPRESSAVG: 1012200 37.6748 -31.6627 22.9874 -30.6625 -41.9634 -24.2048 21.1015 -25.262 11.0852 TIMING: 1012200 CPU: 3261.7, 0.00313489/step Wall: 3261.7, 0.00313489/step, 3.47258 hours remaining, 231.339844 MB of memory in use. ENERGY: 1012200 4089.0919 20550.5698 14503.8967 256.4964 -203400.5512 2765.6360 0.0000 0.0000 52101.6020 -109133.2584 299.4286 -161234.8604 -108768.1271 299.7313 -24.3706 3.6463 762092.4417 2.1612 2.2656 LDB: ============= START OF LOAD BALANCING ============== 3274.12 LDB: ============== END OF LOAD BALANCING =============== 3274.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3274.12 LDB: ============= START OF LOAD BALANCING ============== 3274.44 LDB: Largest compute 7024 load 0.034409 is 17.6% of average load 0.195371 LDB: Average compute 0.004420 is 2.3% of average load 0.195371 LDB: TIME 3274.44 LOAD: AVG 0.195371 MAX 0.216121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.844 MB LDB: TIME 3274.44 LOAD: AVG 0.195371 MAX 0.216121 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: TIME 3274.44 LOAD: AVG 0.195371 MAX 0.216121 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: ============== END OF LOAD BALANCING =============== 3274.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3274.45 PRESSURE: 1012400 -89.2722 132.697 157.683 132.697 -320.244 -142.138 157.683 -142.139 59.8954 GPRESSURE: 1012400 -111.554 178.669 125.825 66.094 -242.931 -156.144 74.9474 -153.815 98.5555 PRESSAVG: 1012400 -3.19203 -29.004 -6.42019 -29.0041 7.57115 10.0904 -6.42024 10.0904 3.54332 GPRESSAVG: 1012400 -2.78584 -28.4937 -7.1911 -28.568 7.3135 9.36516 -8.176 12.1271 3.4109 TIMING: 1012400 CPU: 3262.34, 0.00320977/step Wall: 3262.34, 0.00320977/step, 3.55536 hours remaining, 232.101562 MB of memory in use. ENERGY: 1012400 4040.4903 20573.2462 14569.0844 242.6904 -203149.1651 2375.3441 0.0000 0.0000 52051.7948 -109296.5149 299.1424 -161348.3097 -108942.6103 299.4666 -116.5402 -85.3098 762448.2043 2.6408 2.6462 PRESSURE: 1012600 255.181 22.2984 107.421 22.2977 -127.565 70.2205 107.42 70.2219 -284.806 GPRESSURE: 1012600 230.416 -74.1699 46.4654 83.5189 -76.0218 79.3785 85.6404 106.931 -227.695 PRESSAVG: 1012600 -18.6304 -45.0527 40.0487 -45.0527 -9.80118 -14.5218 40.0487 -14.5218 -4.21586 GPRESSAVG: 1012600 -18.6545 -44.204 39.4351 -47.5401 -9.87446 -13.3849 41.9923 -16.8002 -4.08083 TIMING: 1012600 CPU: 3262.97, 0.00315325/step Wall: 3262.97, 0.00315325/step, 3.49258 hours remaining, 232.535156 MB of memory in use. ENERGY: 1012600 4071.5414 20498.6966 14534.2477 223.6359 -203892.2148 3070.8126 0.0000 0.0000 52141.5101 -109351.7706 299.6580 -161493.2807 -108991.3066 299.7140 -52.3968 -24.4336 763045.4397 -10.8825 -10.8699 PRESSURE: 1012800 76.8054 49.6265 40.6161 49.627 258.856 -8.53588 40.616 -8.53529 -189.57 GPRESSURE: 1012800 42.2976 3.13729 -19.0421 -69.238 376.812 79.6626 14.4292 14.8799 -207.898 PRESSAVG: 1012800 44.243 -3.74375 16.3965 -3.74378 -59.9245 11.2189 16.3964 11.219 -4.17963 GPRESSAVG: 1012800 43.6086 -4.37736 14.6802 -1.41713 -58.7692 9.74235 16.8012 11.3742 -4.47593 TIMING: 1012800 CPU: 3263.61, 0.00318117/step Wall: 3263.61, 0.00318117/step, 3.52333 hours remaining, 232.738281 MB of memory in use. ENERGY: 1012800 4000.1259 20449.8860 14465.5995 229.4905 -203255.5139 2684.5271 0.0000 0.0000 51931.6144 -109494.2706 298.4517 -161425.8850 -109126.2212 298.6362 48.6970 70.4036 761879.2560 -6.6204 -6.5455 PRESSURE: 1013000 -144.809 -131.095 -184.899 -131.095 -263.701 -78.5978 -184.9 -78.5979 12.7382 GPRESSURE: 1013000 -165.504 -182.319 -163.19 -40.5398 -176.833 -98.4885 -184.488 -95.337 40.1801 PRESSAVG: 1013000 17.0216 2.0456 -20.4933 2.04555 -1.45801 11.7979 -20.4933 11.7979 9.26539 GPRESSAVG: 1013000 17.1618 4.44545 -18.8047 -1.00632 -1.64463 13.6779 -20.5895 10.2943 9.37135 TIMING: 1013000 CPU: 3264.24, 0.00316785/step Wall: 3264.24, 0.00316785/step, 3.50839 hours remaining, 232.941406 MB of memory in use. ENERGY: 1013000 3996.3316 20396.9989 14484.6168 248.8644 -203235.8744 2467.8938 0.0000 0.0000 51978.8935 -109662.2754 298.7234 -161641.1689 -109306.1722 299.0759 -131.9237 -100.7191 763399.1105 8.2763 8.2962 PRESSURE: 1013200 313.577 -43.2536 -82.2977 -43.2532 156.04 -12.477 -82.2967 -12.4773 109.08 GPRESSURE: 1013200 301.303 -50.8312 -87.3407 -81.8422 204.691 2.19155 -159.645 33.155 146.624 PRESSAVG: 1013200 27.9274 -9.37985 24.3787 -9.37985 -52.4263 36.8485 24.3787 36.8485 9.84386 GPRESSAVG: 1013200 28.4812 -10.6848 22.9525 -7.82832 -52.5918 34.7767 24.297 40.4158 9.1034 TIMING: 1013200 CPU: 3264.88, 0.00317635/step Wall: 3264.88, 0.00317635/step, 3.51763 hours remaining, 232.941406 MB of memory in use. ENERGY: 1013200 3943.2578 20419.9184 14450.0076 253.5277 -203367.5279 2693.7407 0.0000 0.0000 51682.3706 -109924.7051 297.0193 -161607.0756 -109565.6957 298.0512 192.8987 217.5394 761998.5211 -4.8850 -5.0024 PRESSURE: 1013400 -188.581 -29.2524 9.38936 -29.2531 -252.793 85.9621 9.39017 85.9618 -62.839 GPRESSURE: 1013400 -222.882 55.3202 -18.9754 -75.8137 -143.857 116.854 179.698 114.092 -43.7412 PRESSAVG: 1013400 68.4705 -49.7153 -39.8336 -49.7152 -26.9625 16.3786 -39.8337 16.3786 -10.2759 GPRESSAVG: 1013400 68.4851 -49.6515 -38.6805 -48.9825 -28.4067 18.7471 -38.3687 15.684 -9.82949 TIMING: 1013400 CPU: 3265.51, 0.00318277/step Wall: 3265.51, 0.00318277/step, 3.52457 hours remaining, 232.941406 MB of memory in use. ENERGY: 1013400 3913.9168 20370.9697 14527.0015 250.1106 -203276.7524 2413.9284 0.0000 0.0000 51922.2126 -109878.6127 298.3977 -161800.8254 -109517.1610 297.9933 -168.0711 -136.8266 762044.6757 10.4107 10.0830 PRESSURE: 1013600 -18.4371 -307.123 150.387 -307.123 -177.199 234.331 150.388 234.331 186.155 GPRESSURE: 1013600 17.9352 -288.317 55.2526 -247.432 -197.654 133.048 220.434 210.446 259.246 PRESSAVG: 1013600 29.3892 -39.758 26.6007 -39.758 -63.585 22.4989 26.6007 22.4989 8.73057 GPRESSAVG: 1013600 28.6025 -39.238 28.5006 -40.6938 -63.4535 20.7983 24.7877 22.36 9.63034 TIMING: 1013600 CPU: 3266.15, 0.00318337/step Wall: 3266.15, 0.00318337/step, 3.52505 hours remaining, 232.941406 MB of memory in use. ENERGY: 1013600 3939.3816 20257.8969 14486.0496 233.8907 -202959.4518 2160.8844 0.0000 0.0000 51942.1199 -109939.2286 298.5121 -161881.3486 -109572.4140 297.9221 -3.1601 26.5090 763199.2273 -8.4884 -8.4069 PRESSURE: 1013800 -196.302 37.2104 -46.9945 37.2099 -433.307 144.153 -46.9956 144.154 110.75 GPRESSURE: 1013800 -107.463 -5.57845 -3.59649 -26.7677 -464.9 85.1175 -126.101 96.063 137.655 PRESSAVG: 1013800 55.9142 -50.6716 -17.4247 -50.6715 -19.24 59.8517 -17.4247 59.8517 9.73825 GPRESSAVG: 1013800 55.7637 -51.3645 -19.862 -48.6005 -18.3554 60.5237 -16.771 59.2927 8.52633 TIMING: 1013800 CPU: 3266.79, 0.00318601/step Wall: 3266.79, 0.00318601/step, 3.5278 hours remaining, 232.941406 MB of memory in use. ENERGY: 1013800 3988.1211 20486.9701 14486.9345 248.2022 -203418.1308 2629.6485 0.0000 0.0000 51534.5762 -110043.6783 296.1699 -161578.2545 -109697.2784 297.9765 -172.9531 -144.9028 760325.2926 15.4708 15.3115 PRESSURE: 1014000 -242.285 80.3729 -2.2756 80.3735 132.431 123.123 -2.27623 123.123 -120.846 GPRESSURE: 1014000 -179.622 46.2858 52.5114 44.5003 119.145 199.749 150.49 130.1 -62.56 PRESSAVG: 1014000 56.9502 -32.4112 -11.9113 -32.4113 -53.5627 8.63839 -11.9114 8.63838 5.39926 GPRESSAVG: 1014000 57.2124 -31.5632 -11.1073 -31.7066 -54.4713 8.4951 -12.7376 7.0747 5.72446 TIMING: 1014000 CPU: 3267.42, 0.0031703/step Wall: 3267.42, 0.0031703/step, 3.51023 hours remaining, 232.941406 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: 1014000 3931.9149 20357.6540 14461.7257 245.3345 -203267.2191 2414.8451 0.0000 0.0000 51742.3644 -110113.3804 297.3641 -161855.7448 -109748.2575 298.0860 -76.8998 -41.0124 761565.7463 2.9289 2.8218 PRESSURE: 1014200 94.5117 14.0348 93.2655 14.0359 -18.3108 444.459 93.2649 444.459 261.737 GPRESSURE: 1014200 114.212 -17.5167 80.5646 -81.612 29.5386 434.06 53.2125 293.229 276.817 PRESSAVG: 1014200 -13.2118 -5.81825 4.7141 -5.81818 -35.9175 -7.12485 4.71411 -7.12479 9.23732 GPRESSAVG: 1014200 -12.4131 -7.3199 2.32517 -5.57072 -36.6856 -7.82211 4.23471 -4.04028 8.69885 TIMING: 1014200 CPU: 3268.06, 0.00317997/step Wall: 3268.06, 0.00317997/step, 3.52076 hours remaining, 232.941406 MB of memory in use. ENERGY: 1014200 3944.9446 20354.2214 14535.6589 246.8820 -203535.6647 2621.2096 0.0000 0.0000 51612.0010 -110220.7472 296.6149 -161832.7482 -109851.5628 297.5724 112.6458 140.1892 761628.4499 -13.2973 -13.4666 PRESSURE: 1014400 -187.355 -104.044 25.2914 -104.044 -192.17 -217.906 25.2908 -217.908 -224.577 GPRESSURE: 1014400 -107.693 -79.6586 25.2345 -90.4259 -209.465 -182.701 -12.1328 -31.8972 -193.767 PRESSAVG: 1014400 22.5507 -41.5502 1.55652 -41.5502 -49.449 29.0693 1.55651 29.0692 -7.91526 GPRESSAVG: 1014400 23.1785 -42.2183 3.73709 -41.9142 -50.1013 31.3716 2.6242 28.1285 -8.35369 TIMING: 1014400 CPU: 3268.69, 0.00318198/step Wall: 3268.69, 0.00318198/step, 3.5228 hours remaining, 232.941406 MB of memory in use. ENERGY: 1014400 4015.9719 20280.2712 14465.7326 223.9343 -203638.7017 2492.7070 0.0000 0.0000 52062.8473 -110097.2373 299.2059 -162160.0846 -109730.6442 297.2968 -201.3676 -170.3086 761807.0059 -11.6045 -11.7588 PRESSURE: 1014600 188.338 -51.7856 72.4307 -51.7861 12.6453 -202.13 72.4307 -202.129 182.317 GPRESSURE: 1014600 250.941 27.5392 26.3535 -12.5291 52.2622 -140.261 -28.7514 -168.204 159.843 PRESSAVG: 1014600 53.3796 -16.4718 15.35 -16.4717 13.8703 23.3411 15.35 23.3411 9.82533 GPRESSAVG: 1014600 51.9661 -15.3795 16.586 -17.3874 15.0897 21.3884 14.035 23.3804 10.3141 TIMING: 1014600 CPU: 3269.33, 0.00318621/step Wall: 3269.33, 0.00318621/step, 3.52731 hours remaining, 232.941406 MB of memory in use. ENERGY: 1014600 3933.5965 20424.2448 14506.5312 234.9572 -203597.5468 2637.1878 0.0000 0.0000 51744.9552 -110116.0742 297.3790 -161861.0294 -109761.0121 297.9925 127.7668 154.3489 759045.5736 25.6918 25.7900 PRESSURE: 1014800 -108.305 84.0859 -138.601 84.085 -107.961 151.64 -138.602 151.638 -141.447 GPRESSURE: 1014800 -95.2846 94.6443 -187.923 38.3475 -114.095 190.913 -90.7667 53.6376 -78.2562 PRESSAVG: 1014800 67.0891 11.021 -3.42737 11.021 -27.9017 -15.61 -3.42738 -15.61 -7.17404 GPRESSAVG: 1014800 68.3075 11.5198 -4.28377 12.8628 -28.3352 -15.6359 -4.33147 -16.9053 -8.19368 TIMING: 1014800 CPU: 3269.97, 0.00319741/step Wall: 3269.97, 0.00319741/step, 3.53954 hours remaining, 232.941406 MB of memory in use. ENERGY: 1014800 3923.1672 20555.7825 14556.7633 242.6113 -203600.0082 2497.9543 0.0000 0.0000 51936.6499 -109887.0798 298.4806 -161823.7297 -109523.4699 298.0828 -119.2377 -95.8785 759741.7038 10.6711 10.5929 PRESSURE: 1015000 44.5398 199.37 -35.411 199.37 22.4116 88.099 -35.4108 88.0978 147.065 GPRESSURE: 1015000 123.884 53.7845 -75.8186 104.051 47.4528 61.5506 54.4761 21.1944 131.111 PRESSAVG: 1015000 78.798 29.3677 -1.56111 29.3677 -47.1286 32.4799 -1.56109 32.4799 -22.0835 GPRESSAVG: 1015000 77.9795 29.2674 -1.77301 25.7411 -47.3079 32.8154 -1.59498 31.9602 -21.2911 TIMING: 1015000 CPU: 3270.6, 0.00316151/step Wall: 3270.6, 0.00316151/step, 3.49962 hours remaining, 232.941406 MB of memory in use. ENERGY: 1015000 4011.5323 20523.6404 14512.2720 237.3461 -203804.1458 2692.9425 0.0000 0.0000 51965.5504 -109860.8622 298.6467 -161826.4126 -109494.8216 298.2735 71.3388 100.8160 760567.8166 3.1953 3.1268 PRESSURE: 1015200 132.104 -179.856 48.4219 -179.855 112.851 133.388 48.4209 133.389 134.17 GPRESSURE: 1015200 157.848 -246.09 47.4648 -110.753 157.042 177.308 -133.487 106.428 146.377 PRESSAVG: 1015200 -27.467 -45.7198 45.8635 -45.7198 -8.02791 10.6989 45.8635 10.6989 13.9207 GPRESSAVG: 1015200 -27.843 -44.2549 45.9136 -45.5223 -7.8894 11.5243 46.6108 14.105 14.0722 TIMING: 1015200 CPU: 3271.23, 0.00315643/step Wall: 3271.23, 0.00315643/step, 3.49382 hours remaining, 232.941406 MB of memory in use. ENERGY: 1015200 3951.1585 20359.8171 14584.9768 246.8040 -203784.3147 2697.1248 0.0000 0.0000 52004.0377 -109940.3958 298.8679 -161944.4336 -109581.4722 298.5957 126.3749 153.7560 759321.9103 -7.1914 -7.2201 PRESSURE: 1015400 -367.466 108.996 107.354 108.997 -23.381 238.718 107.354 238.718 -137.287 GPRESSURE: 1015400 -331.437 70.3192 80.822 12.1655 -32.6994 178.317 173.492 249.707 -74.0091 PRESSAVG: 1015400 15.9039 10.4512 -0.693012 10.4511 -14.1496 7.33356 -0.692998 7.33356 -18.0084 GPRESSAVG: 1015400 16.3348 8.8789 -1.57167 12.5796 -14.6368 6.69835 1.49761 4.6838 -17.9001 TIMING: 1015400 CPU: 3271.86, 0.0031601/step Wall: 3271.86, 0.0031601/step, 3.4977 hours remaining, 232.941406 MB of memory in use. ENERGY: 1015400 4031.4097 20210.0634 14504.8218 267.8482 -203190.8985 2375.1270 0.0000 0.0000 51894.8811 -109906.7474 298.2406 -161801.6285 -109545.9337 298.6625 -176.0446 -146.0484 761501.1338 -5.4180 -5.4007 PRESSURE: 1015600 -8.92798 -127.189 159.325 -127.189 -35.7462 198.362 159.325 198.361 21.6849 GPRESSURE: 1015600 -42.4242 -5.81328 294.893 -70.487 94.35 108.603 -7.23422 213.614 21.197 PRESSAVG: 1015600 -23.0805 -39.3624 38.4247 -39.3624 19.8636 43.0131 38.4247 43.013 12.591 GPRESSAVG: 1015600 -22.7437 -40.0743 37.971 -40.3427 20.0408 41.9747 39.5105 44.5317 11.7257 TIMING: 1015600 CPU: 3272.5, 0.00315421/step Wall: 3272.5, 0.00315421/step, 3.49101 hours remaining, 232.941406 MB of memory in use. ENERGY: 1015600 3950.0617 20376.9767 14483.2142 263.4849 -203370.3185 2362.5057 0.0000 0.0000 51802.9632 -110131.1121 297.7123 -161934.0753 -109776.4325 298.1424 -7.6631 24.3743 761270.0928 3.1247 3.0076 PRESSURE: 1015800 -45.3646 -313.33 187.405 -313.33 -289.935 126.531 187.404 126.532 474.188 GPRESSURE: 1015800 -26.9362 -162.349 162.665 -354.854 -223.484 122.727 86.2681 -34.4551 465.049 PRESSAVG: 1015800 -15.2679 -14.5873 27.9327 -14.5874 5.35466 -12.6747 27.9327 -12.6748 24.0061 GPRESSAVG: 1015800 -16.1211 -11.6226 28.6512 -16.6282 6.83801 -12.1184 24.7709 -13.4777 23.1643 TIMING: 1015800 CPU: 3273.12, 0.00314364/step Wall: 3273.12, 0.00314364/step, 3.47913 hours remaining, 232.941406 MB of memory in use. ENERGY: 1015800 4035.7132 20438.2022 14534.4774 253.0225 -203674.3520 2552.4058 0.0000 0.0000 51887.0146 -109973.5162 298.1954 -161860.5309 -109617.4749 297.9429 46.2961 71.5430 761403.4084 4.6976 4.6270 PRESSURE: 1016000 10.914 25.1152 -320.736 25.1148 113.634 -88.6675 -320.736 -88.6685 -301.422 GPRESSURE: 1016000 45.9602 -35.0539 -354.076 1.92983 85.1275 -167.747 -374.358 133.771 -221.967 PRESSAVG: 1016000 -61.3887 14.1838 -3.20641 14.1838 53.8159 -0.92873 -3.20636 -0.928623 -7.93061 GPRESSAVG: 1016000 -60.1691 11.456 -2.91019 19.1107 52.4069 -0.712795 -5.19912 -1.70446 -7.65621 TIMING: 1016000 CPU: 3273.76, 0.0031539/step Wall: 3273.76, 0.0031539/step, 3.49032 hours remaining, 232.941406 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: 1016000 4001.7156 20383.1946 14445.3025 247.4108 -203825.6861 2573.2860 0.0000 0.0000 52026.5504 -110148.2262 298.9973 -162174.7766 -109789.0630 297.6151 -58.9582 -30.2933 760432.7121 -5.1678 -5.1395 PRESSURE: 1016200 404.961 -62.6792 218.474 -62.6793 -26.4533 55.9969 218.475 55.9953 78.312 GPRESSURE: 1016200 418.781 -8.24502 161.71 -65.6139 37.2511 66.4701 312.765 139.31 103.604 PRESSAVG: 1016200 -8.31876 -47.7334 -7.82244 -47.7333 44.0915 17.5051 -7.82238 17.5051 12.2051 GPRESSAVG: 1016200 -9.88059 -47.7574 -8.237 -50.0728 45.1653 17.8946 -6.02014 18.631 12.8409 TIMING: 1016200 CPU: 3274.39, 0.0031535/step Wall: 3274.39, 0.0031535/step, 3.4897 hours remaining, 232.941406 MB of memory in use. ENERGY: 1016200 3967.4772 20408.2848 14553.7697 249.4876 -203959.5838 2738.6218 0.0000 0.0000 51864.1603 -110177.7823 298.0640 -162041.9426 -109826.9660 297.9721 152.2733 186.5456 758062.4857 15.9926 16.0419 LDB: ============= START OF LOAD BALANCING ============== 3286.81 LDB: ============== END OF LOAD BALANCING =============== 3286.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3286.81 LDB: ============= START OF LOAD BALANCING ============== 3287.13 LDB: Largest compute 7070 load 0.034863 is 17.8% of average load 0.195620 LDB: Average compute 0.004405 is 2.3% of average load 0.195620 LDB: TIME 3287.13 LOAD: AVG 0.19562 MAX 0.217433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.148 MB LDB: TIME 3287.13 LOAD: AVG 0.19562 MAX 0.217433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.148 MB LDB: TIME 3287.13 LOAD: AVG 0.19562 MAX 0.217433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.148 MB LDB: ============== END OF LOAD BALANCING =============== 3287.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3287.14 PRESSURE: 1016400 -445.64 -225.641 104.692 -225.641 97.2855 106.457 104.692 106.458 -161.772 GPRESSURE: 1016400 -275.266 -236.657 177.72 -239.332 82.3877 106.635 -13.2194 100.86 -216.452 PRESSAVG: 1016400 -50.0135 -60.3049 70.5623 -60.3049 -0.345085 -7.75549 70.5624 -7.75546 5.67874 GPRESSAVG: 1016400 -49.2503 -59.8096 71.4549 -61.506 0.146421 -8.53095 69.9198 -7.58709 4.94584 TIMING: 1016400 CPU: 3275.03, 0.00323623/step Wall: 3275.03, 0.00323623/step, 3.58106 hours remaining, 231.652344 MB of memory in use. ENERGY: 1016400 3941.1944 20308.8150 14524.4846 244.3733 -203764.0612 2523.4068 0.0000 0.0000 51962.2066 -110259.5805 298.6275 -162221.7871 -109915.8181 297.8435 -170.0422 -136.4436 759618.8014 -14.8933 -14.7193 PRESSURE: 1016600 -257.729 -137.859 41.9726 -137.857 185.015 9.00449 41.973 9.00403 -89.6298 GPRESSURE: 1016600 -173.038 -82.3206 113.058 -228.157 196.139 -10.0174 -32.7089 156.228 -119.11 PRESSAVG: 1016600 -18.1344 -54.146 39.1284 -54.146 22.9052 61.4511 39.1283 61.4511 -2.9156 GPRESSAVG: 1016600 -16.7131 -55.81 40.1006 -54.1292 21.6617 62.1673 41.3163 61.6923 -2.60209 TIMING: 1016600 CPU: 3275.67, 0.00316238/step Wall: 3275.67, 0.00316238/step, 3.49917 hours remaining, 231.792969 MB of memory in use. ENERGY: 1016600 3996.8057 20393.4805 14491.6642 231.4279 -203803.7143 2704.2849 0.0000 0.0000 52047.2959 -109938.7551 299.1165 -161986.0511 -109581.9526 297.9534 -54.1146 -32.0031 758772.4037 0.6184 0.7822 PRESSURE: 1016800 231.744 -91.9991 54.3647 -92 -214.145 -78.4962 54.3655 -78.4982 68.2227 GPRESSURE: 1016800 327.812 -50.0731 118.426 17.75 -180.722 -76.8938 -104.348 -13.4186 29.0179 PRESSAVG: 1016800 -19.3842 8.77964 -8.88903 8.7796 16.2694 5.15367 -8.8891 5.1537 -15.0077 GPRESSAVG: 1016800 -19.2519 12.1885 -11.5331 10.055 16.5321 5.2343 -7.71367 3.67497 -15.3555 TIMING: 1016800 CPU: 3276.3, 0.0031571/step Wall: 3276.3, 0.0031571/step, 3.49316 hours remaining, 231.863281 MB of memory in use. ENERGY: 1016800 4024.1011 20289.2399 14507.4447 234.5183 -203647.9383 2584.3999 0.0000 0.0000 52081.0718 -109927.1626 299.3106 -162008.2343 -109562.5664 298.7585 28.6073 58.7025 759425.8651 -6.0408 -6.0251 PRESSURE: 1017000 -34.3603 15.5884 185.365 15.5874 -350.981 -107.814 185.366 -107.813 -479.357 GPRESSURE: 1017000 -56.239 -22.2264 134.452 -21.0554 -300.74 -152.385 85.2703 -111.565 -406.457 PRESSAVG: 1017000 65.4234 -39.468 3.22018 -39.4681 -52.6502 -29.9174 3.22017 -29.9174 29.2255 GPRESSAVG: 1017000 64.5773 -37.4135 3.41321 -40.9083 -53.0183 -31.4451 -0.463478 -27.5135 29.974 TIMING: 1017000 CPU: 3276.93, 0.00316734/step Wall: 3276.93, 0.00316734/step, 3.5043 hours remaining, 231.863281 MB of memory in use. ENERGY: 1017000 4003.2412 20395.5791 14514.3131 251.5423 -203322.3751 2245.0698 0.0000 0.0000 52241.7364 -109670.8932 300.2340 -161912.6296 -109308.5232 299.0526 -288.2327 -254.4787 759062.1738 13.9996 13.8443 PRESSURE: 1017200 93.2638 8.83206 91.0996 8.83215 77.8019 94.908 91.0999 94.9082 520.207 GPRESSURE: 1017200 195.128 -128.667 82.8434 -57.2771 74.9709 162.873 198.738 -8.3431 488.48 PRESSAVG: 1017200 18.4306 -33.1435 35.6239 -33.1435 -20.7306 29.8561 35.6239 29.8561 -14.0412 GPRESSAVG: 1017200 18.4611 -36.4885 35.39 -31.9411 -20.4179 31.9336 36.4526 28.0478 -14.1203 TIMING: 1017200 CPU: 3277.56, 0.00316754/step Wall: 3277.56, 0.00316754/step, 3.50436 hours remaining, 231.863281 MB of memory in use. ENERGY: 1017200 3980.4224 20466.2422 14526.8977 247.6454 -203729.9358 2846.3180 0.0000 0.0000 51937.8591 -109724.5511 298.4876 -161662.4102 -109371.9120 299.0968 230.4243 252.8596 758792.8337 -5.4470 -5.3590 PRESSURE: 1017400 -54.8268 -20.5052 -85.9247 -20.5053 -360.008 -165.74 -85.925 -165.74 -106.898 GPRESSURE: 1017400 -12.8623 -96.9341 -58.0652 121.923 -353.962 -102.412 18.0284 -22.0094 -80.5881 PRESSAVG: 1017400 19.8953 -14.0145 34.9439 -14.0146 -51.2723 34.9417 34.9439 34.9417 -7.67197 GPRESSAVG: 1017400 19.7836 -15.4215 36.0976 -13.2133 -50.5619 36.1238 35.0586 33.5707 -8.32849 TIMING: 1017400 CPU: 3278.19, 0.00314652/step Wall: 3278.19, 0.00314652/step, 3.48092 hours remaining, 231.863281 MB of memory in use. ENERGY: 1017400 4064.1524 20510.9066 14427.8862 256.0414 -203355.0733 2324.1496 0.0000 0.0000 51941.5276 -109830.4095 298.5087 -161771.9371 -109468.6945 298.5608 -173.9111 -149.1376 760685.2253 -13.0163 -13.0356 PRESSURE: 1017600 331.183 104.243 120.999 104.243 -205.725 210.346 120.999 210.346 -134.363 GPRESSURE: 1017600 348.837 164.541 116.976 28.4958 -141.14 202.831 129.384 202.282 -129.914 PRESSAVG: 1017600 42.9151 -11.0473 16.3562 -11.0473 -59.3143 9.64752 16.3562 9.64761 3.99877 GPRESSAVG: 1017600 43.059 -9.68339 14.2566 -12.4874 -59.6709 6.96238 16.7555 12.6336 4.56463 TIMING: 1017600 CPU: 3278.82, 0.00315374/step Wall: 3278.82, 0.00315374/step, 3.48874 hours remaining, 231.863281 MB of memory in use. ENERGY: 1017600 3976.2267 20453.9770 14516.3165 249.8177 -203691.1434 2673.3434 0.0000 0.0000 52100.3555 -109721.1066 299.4215 -161821.4621 -109351.1811 298.8520 -2.9685 25.9275 759780.3942 -4.1335 -4.0158 PRESSURE: 1017800 65.8544 34.4523 194.626 34.4524 -101.917 -24.0917 194.625 -24.0909 -222.29 GPRESSURE: 1017800 83.659 73.7541 141.157 -22.2045 -36.5148 7.17328 75.7045 112.411 -225.357 PRESSAVG: 1017800 0.156975 4.08353 -25.8984 4.08354 -52.7558 -8.14846 -25.8984 -8.14845 11.7286 GPRESSAVG: 1017800 -0.110104 2.86197 -26.0309 4.96523 -52.2679 -7.10361 -26.2616 -5.13216 11.5966 TIMING: 1017800 CPU: 3279.45, 0.00314643/step Wall: 3279.45, 0.00314643/step, 3.48048 hours remaining, 231.863281 MB of memory in use. ENERGY: 1017800 3992.4026 20572.9535 14543.0655 256.6097 -203052.8242 2307.2870 0.0000 0.0000 51708.7088 -109671.7970 297.1707 -161380.5058 -109304.4013 298.5274 -86.1176 -59.4044 762124.0234 -13.6234 -13.5938 PRESSURE: 1018000 167.111 -91.0927 -16.2585 -91.0925 -257.934 187.268 -16.2583 187.268 87.6591 GPRESSURE: 1018000 284.638 -98.9907 -12.8992 -119.115 -279.474 257.905 -89.251 86.5534 74.5775 PRESSAVG: 1018000 2.94989 -24.3178 4.81526 -24.3178 -41.0171 -4.82445 4.81521 -4.8244 -13.2805 GPRESSAVG: 1018000 2.50301 -22.4498 5.0563 -24.3869 -41.4801 -4.69711 4.45238 -7.93088 -12.0706 TIMING: 1018000 CPU: 3280.09, 0.00315859/step Wall: 3280.09, 0.00315859/step, 3.49375 hours remaining, 231.863281 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: 1018000 3948.7858 20500.2441 14501.9381 241.2283 -203382.2687 2692.1523 0.0000 0.0000 51898.6480 -109599.2720 298.2622 -161497.9200 -109250.0795 298.7922 -1.0544 26.5805 760523.0854 -17.1159 -17.0159 PRESSURE: 1018200 62.4797 178.671 0.136573 178.672 -46.8232 -120.802 0.137353 -120.802 369.332 GPRESSURE: 1018200 144.723 102.065 3.80162 193.621 -7.63681 -94.2197 -2.6771 -77.8812 331.025 PRESSAVG: 1018200 -0.747828 -9.36533 6.60474 -9.36534 -18.6233 -22.7453 6.60473 -22.7453 7.09226 GPRESSAVG: 1018200 -1.00991 -11.6669 6.50586 -10.8284 -17.9551 -22.7064 8.15968 -20.603 7.04573 TIMING: 1018200 CPU: 3280.72, 0.00315576/step Wall: 3280.72, 0.00315576/step, 3.49044 hours remaining, 231.863281 MB of memory in use. ENERGY: 1018200 3988.2224 20467.0587 14485.0243 251.7124 -203678.8414 2765.8171 0.0000 0.0000 52162.4986 -109558.5080 299.7786 -161721.0066 -109198.1177 299.4387 128.3295 156.0370 759945.5690 -4.0930 -3.9731 PRESSURE: 1018400 222.628 -183.362 247.509 -183.362 -73.7475 86.8458 247.508 86.8464 -333.399 GPRESSURE: 1018400 158.897 -139.581 173.997 -235.357 21.1725 72.452 285.782 141.441 -269.478 PRESSAVG: 1018400 -19.6217 -13.7659 -3.94883 -13.7659 45.4454 -9.32705 -3.94883 -9.32707 2.41599 GPRESSAVG: 1018400 -18.3446 -11.6322 -3.60264 -14.7625 45.4712 -9.93673 -6.58958 -11.6282 0.997752 TIMING: 1018400 CPU: 3281.35, 0.003149/step Wall: 3281.35, 0.003149/step, 3.48279 hours remaining, 231.863281 MB of memory in use. ENERGY: 1018400 3988.4425 20597.3933 14446.9940 263.3654 -203347.5372 2442.0595 0.0000 0.0000 51859.1073 -109750.1752 298.0350 -161609.2825 -109392.5358 299.2544 -61.5062 -29.8030 759971.4836 9.4132 9.3748 PRESSURE: 1018600 104.208 99.7752 -93.9942 99.7751 -172.799 13.0545 -93.995 13.0554 -11.3658 GPRESSURE: 1018600 137.997 5.47503 -107.976 108.465 -119.856 -6.30401 -134.046 74.8581 -1.51414 PRESSAVG: 1018600 21.181 -46.6905 -58.6317 -46.6905 -10.2887 -20.7953 -58.6317 -20.7952 -14.5667 GPRESSAVG: 1018600 20.9599 -45.1772 -58.3646 -46.526 -10.5437 -19.6169 -56.4448 -17.7865 -14.2163 TIMING: 1018600 CPU: 3281.98, 0.00316196/step Wall: 3281.98, 0.00316196/step, 3.49696 hours remaining, 231.863281 MB of memory in use. ENERGY: 1018600 3973.4114 20322.0020 14454.4378 249.5886 -203525.6436 2560.4074 0.0000 0.0000 52176.0287 -109789.7677 299.8564 -161965.7965 -109423.2536 298.4932 -26.6524 5.5422 759340.9412 -1.2248 -1.2667 PRESSURE: 1018800 -501.05 -73.6456 -10.2116 -73.6454 176.211 -114.49 -10.212 -114.49 -1.08875 GPRESSURE: 1018800 -363.724 -59.4421 53.9859 -41.2033 177.967 -109.196 -68.7813 -91.7888 -62.1484 PRESSAVG: 1018800 -34.3062 4.03026 -41.035 4.03026 31.1926 -27.749 -41.035 -27.7491 20.5093 GPRESSAVG: 1018800 -34.4719 2.46421 -42.9893 3.76613 31.1697 -28.5095 -41.4235 -30.6139 20.8422 TIMING: 1018800 CPU: 3282.61, 0.00314221/step Wall: 3282.61, 0.00314221/step, 3.47494 hours remaining, 231.863281 MB of memory in use. ENERGY: 1018800 4039.7336 20470.5152 14552.4625 246.1798 -203527.8478 2542.1618 0.0000 0.0000 52112.6257 -109564.1693 299.4920 -161676.7950 -109208.6139 298.8823 -108.6427 -82.6352 760164.2894 5.7986 5.8467 PRESSURE: 1019000 -51.0272 -170.735 -49.2893 -170.735 179.17 -117.362 -49.2893 -117.362 -13.6306 GPRESSURE: 1019000 -63.3538 -89.7754 -0.944025 -62.1066 211.58 -233.638 -52.0598 -31.6314 47.0451 PRESSAVG: 1019000 -27.1589 -39.9727 14.9403 -39.9728 49.7643 -12.7422 14.9402 -12.7422 -10.8525 GPRESSAVG: 1019000 -27.3889 -40.8584 18.2997 -38.8829 49.989 -10.7741 15.3678 -12.8282 -11.4 TIMING: 1019000 CPU: 3283.24, 0.00314253/step Wall: 3283.24, 0.00314253/step, 3.47512 hours remaining, 231.863281 MB of memory in use. ENERGY: 1019000 3967.8855 20417.4508 14547.5722 234.9071 -203372.1193 2501.7065 0.0000 0.0000 52096.4525 -109606.1447 299.3990 -161702.5972 -109249.7926 299.6146 38.1708 65.0904 757403.6361 3.9176 3.7333 PRESSURE: 1019200 -253.013 23.6851 -77.2572 23.6852 -173.514 169.298 -77.2568 169.298 94.1722 GPRESSURE: 1019200 -217.183 -118.467 -8.53639 -12.0633 -151.188 83.0981 -148.477 54.4379 105.888 PRESSAVG: 1019200 -24.5712 -57.8892 19.9963 -57.8892 77.1279 -6.10575 19.9963 -6.10577 -13.0472 GPRESSAVG: 1019200 -25.8131 -59.7155 19.015 -57.5329 76.2975 -7.66731 18.2917 -4.07708 -10.7181 TIMING: 1019200 CPU: 3283.87, 0.00316788/step Wall: 3283.87, 0.00316788/step, 3.50297 hours remaining, 231.863281 MB of memory in use. ENERGY: 1019200 3980.1080 20474.5662 14540.1411 230.2951 -203008.7154 2200.3273 0.0000 0.0000 52110.5501 -109472.7277 299.4800 -161583.2778 -109107.6202 299.5127 -110.7850 -87.4945 760748.6269 13.1698 13.2555 PRESSURE: 1019400 -114.601 -100.857 -108.778 -100.857 -211.306 69.7605 -108.776 69.7606 -220.04 GPRESSURE: 1019400 -85.5824 -10.1201 -35.2046 -117.544 -189.492 -21.4968 -181.763 119.416 -184.545 PRESSAVG: 1019400 1.71715 24.3408 15.8243 24.3408 -19.4674 37.6077 15.8243 37.6078 2.57181 GPRESSAVG: 1019400 2.3618 25.9379 14.1092 25.4506 -19.2904 36.1131 17.7762 36.4684 1.42199 TIMING: 1019400 CPU: 3284.5, 0.00314962/step Wall: 3284.5, 0.00314962/step, 3.4826 hours remaining, 231.863281 MB of memory in use. ENERGY: 1019400 4004.3809 20442.9975 14484.8783 227.3105 -202697.5794 2194.1344 0.0000 0.0000 52006.1177 -109337.7602 298.8799 -161343.8778 -108978.4009 299.4152 -181.9824 -153.2062 760328.3883 -5.0595 -5.1689 PRESSURE: 1019600 18.5353 -162.426 -133.816 -162.426 -91.5868 65.8189 -133.816 65.8201 106.642 GPRESSURE: 1019600 45.306 -212.304 -141.556 -77.1691 -31.4655 86.59 -134.444 23.5794 109.085 PRESSAVG: 1019600 1.5203 -61.1425 -93.509 -61.1425 -20.9352 -13.8332 -93.509 -13.8333 -5.21316 GPRESSAVG: 1019600 0.604995 -63.0922 -92.9197 -60.1386 -20.3755 -11.6556 -95.2294 -15.2082 -4.428 TIMING: 1019600 CPU: 3285.13, 0.00314179/step Wall: 3285.13, 0.00314179/step, 3.47378 hours remaining, 231.863281 MB of memory in use. ENERGY: 1019600 4054.0057 20466.4192 14543.4976 233.8111 -202990.0326 2371.2069 0.0000 0.0000 51962.0981 -109358.9940 298.6269 -161321.0921 -109005.7929 299.3943 11.1967 40.9753 760251.6249 -8.2093 -8.0662 PRESSURE: 1019800 40.3483 -4.30049 -33.6553 -4.29997 221.348 103.074 -33.6551 103.074 255.751 GPRESSURE: 1019800 72.6545 -45.2128 17.8493 -59.0019 235.375 96.4246 30.0533 15.0924 297.45 PRESSAVG: 1019800 -4.67139 -89.7818 -60.7607 -89.7818 11.2049 55.0915 -60.7607 55.0914 -13.0723 GPRESSAVG: 1019800 -3.35331 -88.8442 -61.7369 -93.7622 9.6054 54.7676 -58.893 55.7523 -12.5135 TIMING: 1019800 CPU: 3285.76, 0.00316949/step Wall: 3285.76, 0.00316949/step, 3.50423 hours remaining, 231.863281 MB of memory in use. ENERGY: 1019800 3968.5547 20425.7462 14525.7189 259.0868 -203144.1983 2472.6461 0.0000 0.0000 52110.9179 -109381.5276 299.4822 -161492.4455 -109016.1860 299.3660 172.4826 201.8264 760227.1650 -2.1796 -2.0871 PRESSURE: 1020000 -309.471 51.2991 59.9564 51.2986 -215.15 -216.132 59.9557 -216.131 176.336 GPRESSURE: 1020000 -256.425 117.756 28.4535 85.9186 -152.346 -232.35 34.382 -197.803 146.372 PRESSAVG: 1020000 -2.79139 -37.5122 -27.7201 -37.5122 -1.71986 6.15662 -27.7201 6.15657 -15.9418 GPRESSAVG: 1020000 -3.12744 -36.2785 -26.0178 -36.94 -0.818491 3.82171 -27.2172 7.90917 -17.046 TIMING: 1020000 CPU: 3286.39, 0.00316269/step Wall: 3286.39, 0.00316269/step, 3.49653 hours remaining, 231.863281 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: 1020000 3966.0077 20450.1811 14538.3660 266.3967 -202614.2381 2210.8834 0.0000 0.0000 51560.6176 -109621.7856 296.3196 -161182.4033 -109263.5502 298.9333 -116.0953 -87.4661 761543.9968 -6.8177 -6.9973 PRESSURE: 1020200 -145.243 -280.624 -185.058 -280.624 -106.318 -70.422 -185.059 -70.4228 -88.0142 GPRESSURE: 1020200 -136.156 -216.851 -265.173 -260.456 -122.469 -37.0527 -157.471 1.44565 3.02735 PRESSAVG: 1020200 29.807 -42.3544 -30.6706 -42.3545 -23.4061 22.151 -30.6706 22.151 -20.6682 GPRESSAVG: 1020200 28.9713 -44.0771 -30.4802 -42.5502 -22.1869 24.7611 -31.9117 21.5768 -20.8366 TIMING: 1020200 CPU: 3287.03, 0.00316071/step Wall: 3287.03, 0.00316071/step, 3.49417 hours remaining, 232.066406 MB of memory in use. ENERGY: 1020200 4011.6429 20471.5109 14543.5188 232.0287 -202909.9730 2297.0323 0.0000 0.0000 51753.9538 -109600.2856 297.4307 -161354.2394 -109244.5221 298.8130 -113.1919 -85.1992 761598.5497 -4.7558 -4.6841 LDB: ============= START OF LOAD BALANCING ============== 3299.45 LDB: ============== END OF LOAD BALANCING =============== 3299.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3299.45 LDB: ============= START OF LOAD BALANCING ============== 3299.77 LDB: Largest compute 7075 load 0.035186 is 18.0% of average load 0.195491 LDB: Average compute 0.004393 is 2.2% of average load 0.195491 LDB: TIME 3299.77 LOAD: AVG 0.195491 MAX 0.216365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3299.77 LOAD: AVG 0.195491 MAX 0.216365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: TIME 3299.77 LOAD: AVG 0.195491 MAX 0.216365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.82 MB LDB: ============== END OF LOAD BALANCING =============== 3299.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3299.78 PRESSURE: 1020400 -61.3805 -0.0354236 94.9381 -0.0349256 -13.8849 405.032 94.9381 405.032 91.4941 GPRESSURE: 1020400 11.8087 59.7574 73.5615 84.2553 -7.20455 298.96 143.091 288.228 84.0253 PRESSAVG: 1020400 -11.6781 -29.5545 29.4896 -29.5546 -29.4929 -35.6005 29.4896 -35.6005 14.8202 GPRESSAVG: 1020400 -10.0165 -28.0827 29.1419 -26.8545 -30.137 -36.334 29.1121 -37.4563 13.3342 TIMING: 1020400 CPU: 3287.68, 0.00324617/step Wall: 3287.68, 0.00324617/step, 3.58847 hours remaining, 230.820312 MB of memory in use. ENERGY: 1020400 3945.4413 20422.4260 14504.1062 235.8111 -203418.7158 2667.0851 0.0000 0.0000 52195.1508 -109448.6953 299.9662 -161643.8461 -109089.3610 299.4061 5.4096 29.5431 761806.4245 -8.7836 -8.9398 PRESSURE: 1020600 -169.49 -131.54 -69.0683 -131.54 331.256 -79.5212 -69.0682 -79.5198 189.77 GPRESSURE: 1020600 -96.48 -47.2765 -38.9313 -98.7007 312.035 -72.0214 -55.3023 -70.9413 247.372 PRESSAVG: 1020600 -36.4918 -1.21782 -30.275 -1.21785 24.8205 31.6778 -30.275 31.6778 -35.2149 GPRESSAVG: 1020600 -36.9024 -2.20875 -31.7255 -3.55683 23.881 31.3822 -29.6844 34.1744 -34.0905 TIMING: 1020600 CPU: 3288.31, 0.00319156/step Wall: 3288.31, 0.00319156/step, 3.52791 hours remaining, 231.019531 MB of memory in use. ENERGY: 1020600 3893.7674 20420.1106 14567.4875 261.5989 -203176.1525 2480.4920 0.0000 0.0000 52150.1742 -109402.5219 299.7078 -161552.6961 -109040.9215 299.3018 117.1785 154.3090 761445.0639 -15.6287 -15.7040 PRESSURE: 1020800 -128.585 75.3446 -26.4033 75.3444 222.351 22.2963 -26.4036 22.2963 -50.4978 GPRESSURE: 1020800 -104.586 41.316 -98.3557 13.8509 172.664 44.5946 56.6001 51.4371 76.205 PRESSAVG: 1020800 -25.8631 66.9286 -1.94351 66.9286 30.0823 7.34597 -1.94349 7.34601 9.07058 GPRESSAVG: 1020800 -26.5634 67.2043 -1.96711 67.3228 30.6914 6.64463 -1.50207 5.09865 9.43653 TIMING: 1020800 CPU: 3288.95, 0.00316935/step Wall: 3288.95, 0.00316935/step, 3.50318 hours remaining, 231.019531 MB of memory in use. ENERGY: 1020800 4071.5318 20495.5798 14456.1806 253.6705 -202812.0549 2297.6829 0.0000 0.0000 51690.2286 -109547.1808 297.0645 -161237.4094 -109191.6888 299.2963 14.4227 48.0944 761226.8601 4.4299 4.5215 PRESSURE: 1021000 -80.665 -145.223 -163.137 -145.222 -47.9984 -145.784 -163.137 -145.785 -105.869 GPRESSURE: 1021000 -40.2121 -150.507 -101.997 -74.3662 -62.3764 -182.308 -81.4715 -70.5228 -54.7278 PRESSAVG: 1021000 -12.7449 52.9868 40.7154 52.9867 9.30977 -39.824 40.7154 -39.824 -11.4652 GPRESSAVG: 1021000 -13.5999 52.8627 42.2026 51.625 9.69471 -37.1789 39.4409 -41.4661 -10.4812 TIMING: 1021000 CPU: 3289.58, 0.00318077/step Wall: 3289.58, 0.00318077/step, 3.51563 hours remaining, 231.019531 MB of memory in use. ENERGY: 1021000 3959.1907 20533.5228 14507.8664 244.6034 -203172.0293 2338.7511 0.0000 0.0000 51967.3021 -109620.7929 298.6568 -161588.0950 -109267.4193 298.7682 -78.1776 -52.4388 761349.3997 -4.9668 -4.7955 PRESSURE: 1021200 -285.882 250.138 -49.7596 250.138 -0.377766 -30.0491 -49.7596 -30.0496 64.1748 GPRESSURE: 1021200 -167.44 172.863 36.0744 184.633 39.789 -71.6846 94.0014 -122.109 1.15715 PRESSAVG: 1021200 10.977 45.5816 6.41245 45.5816 15.2418 -9.73812 6.41237 -9.73813 22.3443 GPRESSAVG: 1021200 13.1983 47.6995 6.43924 45.2139 15.226 -13.055 8.9231 -8.6429 20.4686 TIMING: 1021200 CPU: 3290.21, 0.00315449/step Wall: 3290.21, 0.00315449/step, 3.48642 hours remaining, 231.019531 MB of memory in use. ENERGY: 1021200 3978.2287 20517.0399 14467.5644 262.2192 -203124.6897 2386.1384 0.0000 0.0000 51882.6083 -109630.8909 298.1701 -161513.4992 -109261.5080 298.6852 -74.0282 -42.1645 759932.2486 16.1877 16.2976 PRESSURE: 1021400 -207.058 -9.37475 68.3956 -9.37349 35.9419 -74.6409 68.3959 -74.6411 -106.754 GPRESSURE: 1021400 -164.456 -14.7746 58.1392 -41.053 20.4646 -101.756 -8.78878 -118.039 -55.901 PRESSAVG: 1021400 16.6529 30.0508 -61.0532 30.0509 -2.81182 1.66107 -61.0532 1.66116 -8.8548 GPRESSAVG: 1021400 16.6277 25.8372 -60.2269 33.8974 -3.98769 2.80503 -64.4324 4.33623 -7.55001 TIMING: 1021400 CPU: 3290.85, 0.00318102/step Wall: 3290.85, 0.00318102/step, 3.51556 hours remaining, 231.019531 MB of memory in use. ENERGY: 1021400 3977.3095 20532.8989 14475.3827 240.4694 -203392.3704 2491.5271 0.0000 0.0000 51958.4101 -109716.3728 298.6057 -161674.7829 -109351.6734 298.8215 -92.6234 -66.6309 760518.8942 1.6621 1.6967 PRESSURE: 1021600 25.2248 -6.85055 23.6891 -6.85127 -497.696 -99.8879 23.6898 -99.8871 -365.717 GPRESSURE: 1021600 -52.0445 2.54341 140.822 81.5916 -423.451 -70.6066 -60.7762 -88.3237 -269.814 PRESSAVG: 1021600 51.2517 -30.5679 12.2476 -30.568 -23.2676 -35.2905 12.2475 -35.2904 20.6231 GPRESSAVG: 1021600 50.3926 -29.4419 10.3941 -32.3681 -21.9386 -35.9454 14.9424 -37.0998 19.9086 TIMING: 1021600 CPU: 3291.49, 0.00317625/step Wall: 3291.49, 0.00317625/step, 3.51011 hours remaining, 231.019531 MB of memory in use. ENERGY: 1021600 3995.2961 20572.2945 14539.6364 226.6879 -203393.7091 2358.3863 0.0000 0.0000 52038.6328 -109662.7750 299.0667 -161701.4078 -109299.9400 298.8912 -279.3963 -248.4364 761490.9370 16.2024 16.1209 PRESSURE: 1021800 -407.787 47.2844 -334.023 47.2845 63.8786 102.153 -334.023 102.153 47.7422 GPRESSURE: 1021800 -361.18 82.6648 -332.158 -33.7777 84.1817 59.525 -225.525 -97.2199 68.7865 PRESSAVG: 1021800 -45.3028 11.4871 -11.4608 11.4872 50.2388 24.4815 -11.4608 24.4815 -28.9666 GPRESSAVG: 1021800 -45.5311 10.9446 -12.4308 12.1924 50.014 24.0295 -9.01026 24.9114 -29.1771 TIMING: 1021800 CPU: 3292.12, 0.00316551/step Wall: 3292.12, 0.00316551/step, 3.49806 hours remaining, 231.019531 MB of memory in use. ENERGY: 1021800 3984.2950 20470.0844 14422.1234 238.6214 -203210.9726 2351.5908 0.0000 0.0000 51955.5680 -109788.6895 298.5894 -161744.2575 -109422.4937 298.9194 -98.7220 -69.4038 761088.1233 -8.0102 -8.2314 PRESSURE: 1022000 256.047 16.889 4.16789 16.8893 -245.738 202.329 4.16834 202.329 175.14 GPRESSURE: 1022000 282.241 -14.8964 29.8394 -24.1841 -134.816 167.224 73.9785 175.812 122.355 PRESSAVG: 1022000 -47.6668 2.29375 -38.1159 2.29378 53.2388 -14.1577 -38.1159 -14.1576 -1.11223 GPRESSAVG: 1022000 -48.0214 1.25389 -37.231 3.70657 54.0109 -11.9664 -42.4549 -16.3164 -1.59191 TIMING: 1022000 CPU: 3292.75, 0.00315933/step Wall: 3292.75, 0.00315934/step, 3.49107 hours remaining, 231.019531 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: 1022000 3958.9141 20520.4451 14544.8605 254.6992 -203483.0599 2762.4405 0.0000 0.0000 52028.6197 -109413.0808 299.0092 -161441.7005 -109055.6533 299.1340 61.8165 89.9266 761979.4931 1.4866 1.4659 PRESSURE: 1022200 118.32 -13.922 49.5147 -13.9214 195.592 8.49775 49.5144 8.49727 -73.7344 GPRESSURE: 1022200 185.548 104.39 111.573 16.2521 206.233 73.8845 9.91532 38.7558 -64.7281 PRESSAVG: 1022200 21.4942 -13.7072 -60.9471 -13.7072 -36.6249 46.2684 -60.9471 46.2683 -7.64445 GPRESSAVG: 1022200 22.6031 -10.6508 -59.8559 -15.723 -38.0183 45.8517 -58.8468 49.1038 -7.7921 TIMING: 1022200 CPU: 3293.39, 0.00320176/step Wall: 3293.39, 0.00320176/step, 3.53777 hours remaining, 231.019531 MB of memory in use. ENERGY: 1022200 3974.9872 20625.2126 14536.0310 260.4400 -202841.7323 2122.7268 0.0000 0.0000 51837.2878 -109485.0469 297.9096 -161322.3347 -109118.2146 299.4306 80.0592 109.0177 760915.1567 -7.5917 -7.7358 PRESSURE: 1022400 194.66 -60.0161 111.369 -60.0152 -365.72 37.5214 111.369 37.5207 -508.364 GPRESSURE: 1022400 126.532 -99.0326 182.89 -43.7124 -285.146 54.3234 -65.6571 24.7048 -454.176 PRESSAVG: 1022400 51.3117 -82.0751 -36.2186 -82.075 -2.91584 16.3196 -36.2186 16.3196 12.7798 GPRESSAVG: 1022400 50.9656 -83.8007 -36.352 -84.1205 -2.00207 16.7663 -35.3854 14.0685 12.5949 TIMING: 1022400 CPU: 3294.04, 0.00322276/step Wall: 3294.04, 0.00322276/step, 3.56079 hours remaining, 231.019531 MB of memory in use. ENERGY: 1022400 3952.9719 20451.7434 14530.8480 231.0464 -203246.3685 2271.2831 0.0000 0.0000 52392.1273 -109416.3484 301.0983 -161808.4757 -109039.0572 299.2917 -226.4746 -204.2634 759689.4616 20.3919 20.5195 PRESSURE: 1022600 123.531 -111.821 -191.591 -111.822 -275.688 -75.8086 -191.591 -75.8079 160.913 GPRESSURE: 1022600 134.197 -14.2922 -170.212 -51.9375 -169.948 -123.133 -65.2659 3.00414 111.332 PRESSAVG: 1022600 22.3434 -63.5985 22.6168 -63.5985 -19.9674 -60.0925 22.6167 -60.0925 -6.44241 GPRESSAVG: 1022600 21.8309 -61.7599 22.2537 -62.6008 -19.7205 -62.3416 20.5391 -59.2934 -6.28634 TIMING: 1022600 CPU: 3294.67, 0.0031958/step Wall: 3294.67, 0.0031958/step, 3.53082 hours remaining, 231.019531 MB of memory in use. ENERGY: 1022600 3936.8690 20638.3812 14537.8473 263.4371 -203493.8094 2421.9459 0.0000 0.0000 52367.6898 -109327.6392 300.9578 -161695.3289 -108958.5408 299.6719 2.9184 25.1940 762022.6720 -1.3555 -1.3920 PRESSURE: 1022800 -246.019 25.0524 -319.687 25.0535 -184.489 -62.8327 -319.687 -62.8326 -148.813 GPRESSURE: 1022800 -187.581 23.485 -310.551 52.9299 -220.233 -108.202 -358.858 -86.9391 -83.4719 PRESSAVG: 1022800 -24.5021 -41.9995 -2.57639 -41.9995 2.16778 -87.9274 -2.5764 -87.9275 10.7476 GPRESSAVG: 1022800 -24.8166 -43.1624 -3.25721 -41.3094 1.90144 -86.9273 -0.171478 -86.1168 11.7675 TIMING: 1022800 CPU: 3295.31, 0.00319082/step Wall: 3295.31, 0.00319082/step, 3.52514 hours remaining, 231.019531 MB of memory in use. ENERGY: 1022800 3972.6243 20666.6337 14521.7302 252.9767 -203275.4686 2316.6287 0.0000 0.0000 52053.2611 -109491.6140 299.1508 -161544.8750 -109132.0652 299.4253 -193.1069 -163.7619 760231.5760 -3.8622 -3.7159 PRESSURE: 1023000 -453.465 108.439 -215.007 108.44 -498.163 -82.5319 -215.007 -82.5317 -230.822 GPRESSURE: 1023000 -369.207 9.71388 -226.056 -19.8229 -511.978 -34.2439 -100.877 -2.58329 -225.843 PRESSAVG: 1023000 35.0778 -56.5351 -57.5979 -56.5353 -9.92354 -0.705595 -57.598 -0.705589 3.20336 GPRESSAVG: 1023000 35.5754 -55.0357 -56.6871 -58.8168 -9.94421 -0.575302 -58.4168 -0.73338 2.66353 TIMING: 1023000 CPU: 3295.95, 0.00316797/step Wall: 3295.95, 0.00316797/step, 3.49973 hours remaining, 231.019531 MB of memory in use. ENERGY: 1023000 3993.9955 20533.5952 14521.2343 243.5277 -203237.2325 2245.4215 0.0000 0.0000 51964.2594 -109735.1990 298.6393 -161699.4584 -109377.7058 299.1606 -394.1503 -369.0092 760926.6971 9.4525 9.4316 PRESSURE: 1023200 46.4166 15.7188 126.568 15.7191 -350.931 -34.2014 126.569 -34.2016 15.2306 GPRESSURE: 1023200 125.218 52.4239 196.772 8.31893 -342.366 33.2506 116.632 -112.956 30.2841 PRESSAVG: 1023200 13.3432 -47.3675 -38.1033 -47.3675 -11.0359 -57.5862 -38.1034 -57.5862 -16.9155 GPRESSAVG: 1023200 13.2692 -49.7583 -37.3854 -44.2956 -10.3592 -57.0229 -38.6053 -58.8243 -17.4883 TIMING: 1023200 CPU: 3296.58, 0.00316565/step Wall: 3296.58, 0.00316565/step, 3.49699 hours remaining, 231.019531 MB of memory in use. ENERGY: 1023200 3993.4180 20535.5029 14474.7776 246.4276 -203141.4344 2271.7000 0.0000 0.0000 51996.0847 -109623.5236 298.8222 -161619.6083 -109267.0961 299.2858 -96.4279 -62.2880 761157.5560 -4.8694 -4.8594 PRESSURE: 1023400 44.2635 26.3036 43.2752 26.3049 101.938 93.7392 43.2757 93.7392 61.0842 GPRESSURE: 1023400 58.9004 95.6222 83.2789 48.3106 209.291 31.8152 93.5195 9.87269 39.0834 PRESSAVG: 1023400 23.3469 -38.7556 4.3812 -38.7556 -10.3747 8.9787 4.38123 8.97874 1.62228 GPRESSAVG: 1023400 24.0155 -37.8447 5.45975 -37.8218 -11.0258 8.23244 3.80076 8.13571 1.41599 TIMING: 1023400 CPU: 3297.21, 0.00315344/step Wall: 3297.21, 0.00315344/step, 3.48332 hours remaining, 231.019531 MB of memory in use. ENERGY: 1023400 4020.5150 20414.7609 14432.7085 252.0856 -203931.6520 2748.6870 0.0000 0.0000 52202.6914 -109860.2036 300.0096 -162062.8950 -109505.4935 298.7063 69.0951 102.4248 757224.5891 4.8648 4.8019 PRESSURE: 1023600 -193.979 -153.985 -227.088 -153.986 -451.493 180.145 -227.088 180.144 11.3911 GPRESSURE: 1023600 -145.282 -134.899 -250.862 -159.796 -405.414 74.9543 -113.915 -24.1099 11.3025 PRESSAVG: 1023600 9.30547 -11.3773 -20.0896 -11.3773 -0.849985 -29.941 -20.0896 -29.9411 9.44097 GPRESSAVG: 1023600 8.66549 -11.57 -21.3016 -14.4602 -0.536819 -30.3201 -20.5019 -30.9639 9.81525 TIMING: 1023600 CPU: 3297.85, 0.00318591/step Wall: 3297.85, 0.00318591/step, 3.51902 hours remaining, 231.019531 MB of memory in use. ENERGY: 1023600 3971.7340 20512.1764 14514.5150 230.1436 -203280.9229 2299.8393 0.0000 0.0000 52096.3655 -109656.1491 299.3985 -161752.5147 -109293.0449 298.9952 -211.3601 -179.7977 759446.9828 5.9655 5.9813 PRESSURE: 1023800 -27.6187 45.0633 109.136 45.0631 91.8289 -88.0865 109.136 -88.0871 -31.1399 GPRESSURE: 1023800 -40.7319 97.7017 100.66 -2.50607 129.921 -31.8722 -4.75826 -10.2093 23.8525 PRESSAVG: 1023800 -19.698 -55.1135 -16.9228 -55.1135 21.1877 -35.5317 -16.9228 -35.5318 -0.0494694 GPRESSAVG: 1023800 -21.4133 -54.279 -16.7572 -50.7937 21.4772 -35.0022 -15.2057 -33.4637 1.40702 TIMING: 1023800 CPU: 3298.48, 0.00314629/step Wall: 3298.48, 0.00314629/step, 3.47508 hours remaining, 231.019531 MB of memory in use. ENERGY: 1023800 4026.8306 20506.2047 14505.2630 259.6495 -203500.7184 2468.2155 0.0000 0.0000 52079.8316 -109654.7235 299.3035 -161734.5551 -109292.7299 299.1308 11.0234 37.6805 759440.1245 0.4801 0.4903 PRESSURE: 1024000 -65.4936 -40.2878 -6.03841 -40.2884 -156.074 -5.56728 -6.03871 -5.56783 437.999 GPRESSURE: 1024000 0.441289 -82.881 113.328 -95.7172 -121.016 75.4488 -137.595 -13.947 420.006 PRESSAVG: 1024000 21.042 -19.9522 -29.8467 -19.9522 -19.4523 -21.0128 -29.8467 -21.0128 -4.03318 GPRESSAVG: 1024000 22.5611 -19.7442 -27.4439 -21.9344 -19.9407 -19.5146 -29.9121 -21.5752 -4.65244 TIMING: 1024000 CPU: 3299.12, 0.00320395/step Wall: 3299.12, 0.00320395/step, 3.53858 hours remaining, 231.019531 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: 1024000 4031.4879 20524.4898 14476.2816 217.6857 -203689.3981 2663.2345 0.0000 0.0000 52238.4604 -109537.7583 300.2151 -161776.2187 -109181.7441 299.7422 72.1440 99.8105 759749.9777 -0.8145 -0.6773 PRESSURE: 1024200 -23.6809 -40.5274 -17.0287 -40.5283 -226.943 51.1204 -17.0286 51.12 -284.662 GPRESSURE: 1024200 -90.5433 -125.93 34.4023 -84.6408 -162.61 -42.353 74.0193 6.61113 -194.788 PRESSAVG: 1024200 47.0903 -43.5315 -29.2789 -43.5315 -34.8983 -4.97715 -29.2789 -4.97714 0.420303 GPRESSAVG: 1024200 47.2255 -43.6916 -32.0138 -46.0974 -35.4436 -5.79859 -30.7354 -6.9192 1.11915 TIMING: 1024200 CPU: 3299.75, 0.00318215/step Wall: 3299.75, 0.00318215/step, 3.51433 hours remaining, 231.019531 MB of memory in use. ENERGY: 1024200 3900.4980 20548.8836 14467.9811 253.7861 -203192.0361 2290.3403 0.0000 0.0000 52010.8704 -109719.6766 298.9072 -161730.5470 -109352.2848 299.4702 -178.4289 -149.3135 759854.3343 4.2041 4.3004 LDB: ============= START OF LOAD BALANCING ============== 3312.18 LDB: ============== END OF LOAD BALANCING =============== 3312.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3312.18 LDB: ============= START OF LOAD BALANCING ============== 3312.5 LDB: Largest compute 7070 load 0.034771 is 17.8% of average load 0.195562 LDB: Average compute 0.004417 is 2.3% of average load 0.195562 LDB: TIME 3312.51 LOAD: AVG 0.195562 MAX 0.21572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.914 MB LDB: TIME 3312.51 LOAD: AVG 0.195562 MAX 0.21572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.027 MB LDB: TIME 3312.51 LOAD: AVG 0.195562 MAX 0.21572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.027 MB LDB: ============== END OF LOAD BALANCING =============== 3312.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3312.51 PRESSURE: 1024400 58.86 -13.1542 53.9976 -13.1536 108.3 106.512 53.9973 106.511 41.0408 GPRESSURE: 1024400 103.028 -98.893 46.5596 29.5486 124.356 109.668 9.80699 144.803 71.7701 PRESSAVG: 1024400 26.7585 -10.9724 -86.6132 -10.9725 -62.211 -11.4897 -86.6132 -11.4896 13.3822 GPRESSAVG: 1024400 26.196 -12.3761 -86.2217 -8.61206 -60.4774 -11.0477 -88.14 -9.56839 12.2657 TIMING: 1024400 CPU: 3300.41, 0.00326191/step Wall: 3300.41, 0.00326191/step, 3.60223 hours remaining, 232.289062 MB of memory in use. ENERGY: 1024400 4064.3192 20485.2012 14480.4622 253.3939 -203285.9201 2349.3882 0.0000 0.0000 51944.4203 -109708.7351 298.5253 -161653.1554 -109354.0532 298.8493 69.4004 99.7182 759462.3676 -7.3568 -7.3386 PRESSURE: 1024600 -13.2461 -95.0481 -230.789 -95.049 -286.076 151.994 -230.791 151.993 209.455 GPRESSURE: 1024600 75.213 -29.116 -205.025 14.4883 -254.346 60.5514 -174.161 107.826 195.49 PRESSAVG: 1024600 20.6099 -30.4794 -44.039 -30.4794 8.74343 22.2993 -44.039 22.2992 -4.9358 GPRESSAVG: 1024600 21.1898 -29.0867 -42.6209 -29.4278 8.32572 20.8053 -41.7567 23.8748 -4.99446 TIMING: 1024600 CPU: 3301.04, 0.00316304/step Wall: 3301.04, 0.00316304/step, 3.49288 hours remaining, 232.289062 MB of memory in use. ENERGY: 1024600 3978.3905 20586.9278 14535.3457 246.1872 -203006.4539 2292.1788 0.0000 0.0000 51895.5858 -109471.8381 298.2446 -161367.4239 -109111.5961 298.6353 -29.9556 5.4525 759551.7812 8.1392 8.1737 PRESSURE: 1024800 -99.4544 -213.713 208.722 -213.713 -39.1712 248.509 208.722 248.51 114.649 GPRESSURE: 1024800 -83.2458 -222.845 110.759 -159.305 22.1374 251.222 281.628 261.031 132.264 PRESSAVG: 1024800 -10.8014 -37.7944 -35.6533 -37.7945 12.9468 12.5238 -35.6533 12.5239 7.96375 GPRESSAVG: 1024800 -10.7989 -39.3195 -37.5943 -38.9817 12.7442 14.9746 -36.3747 7.05713 8.09739 TIMING: 1024800 CPU: 3301.67, 0.0031602/step Wall: 3301.67, 0.0031602/step, 3.48956 hours remaining, 232.289062 MB of memory in use. ENERGY: 1024800 4034.2276 20584.6266 14505.6838 251.9070 -203104.3578 2568.5400 0.0000 0.0000 51734.0335 -109425.3393 297.3162 -161159.3728 -109061.1618 299.2902 -7.9921 23.7185 760118.6083 3.3697 3.3475 PRESSURE: 1025000 -134.829 -224.196 -22.022 -224.197 92.9697 -127.375 -22.022 -127.376 -48.4154 GPRESSURE: 1025000 -61.4069 -271.189 -47.3881 -247.041 107.988 -55.8476 59.4551 -130.645 -35.2564 PRESSAVG: 1025000 -4.08619 -17.0536 -16.8825 -17.0536 44.875 -31.6366 -16.8825 -31.6365 10.3336 GPRESSAVG: 1025000 -4.69963 -16.7154 -14.9984 -16.5262 44.8467 -31.6063 -16.2877 -28.5178 10.8558 TIMING: 1025000 CPU: 3302.31, 0.00317855/step Wall: 3302.31, 0.00317855/step, 3.50965 hours remaining, 232.289062 MB of memory in use. ENERGY: 1025000 4047.9187 20559.3390 14492.0137 234.6336 -203087.0570 2329.3846 0.0000 0.0000 52217.9176 -109205.8499 300.0971 -161423.7675 -108841.3246 299.7815 -30.0917 3.7750 761541.7269 17.0408 17.0010 PRESSURE: 1025200 177.703 168.441 -17.1627 168.441 154.248 65.742 -17.1624 65.7433 44.2958 GPRESSURE: 1025200 270.733 216.003 -0.058277 187.757 118.258 57.2115 -2.12717 -67.2488 79.4382 PRESSAVG: 1025200 -56.0386 22.6949 -11.8232 22.6949 26.5847 -3.31371 -11.8232 -3.31369 5.30741 GPRESSAVG: 1025200 -56.7352 22.6815 -12.4722 23.5022 27.2584 -3.87946 -12.8303 -4.09863 5.15051 TIMING: 1025200 CPU: 3302.95, 0.00320455/step Wall: 3302.95, 0.00320455/step, 3.53818 hours remaining, 232.289062 MB of memory in use. ENERGY: 1025200 3883.5026 20589.2508 14514.1038 273.9952 -203859.0720 2866.7478 0.0000 0.0000 52416.9430 -109314.5288 301.2409 -161731.4718 -108948.2457 300.4198 125.4156 156.1432 761525.1358 -8.0488 -8.1088 PRESSURE: 1025400 -66.6218 -8.43273 -182.676 -8.4332 -143.46 -22.6013 -182.676 -22.6001 -398.356 GPRESSURE: 1025400 -46.3741 -76.0763 -234.515 -33.0866 -187.371 -17.584 -142.582 110.024 -278.155 PRESSAVG: 1025400 -7.73208 -55.0652 -70.6042 -55.0651 35.8845 40.5266 -70.6042 40.5266 -6.33039 GPRESSAVG: 1025400 -7.01918 -55.5036 -70.8146 -56.703 35.1943 39.3158 -69.6944 41.3757 -6.12148 TIMING: 1025400 CPU: 3303.58, 0.0031808/step Wall: 3303.58, 0.0031808/step, 3.51178 hours remaining, 232.289062 MB of memory in use. ENERGY: 1025400 3953.2194 20628.0025 14452.0127 255.8279 -203194.8814 2170.6386 0.0000 0.0000 52205.6737 -109529.5065 300.0267 -161735.1802 -109162.3904 299.3678 -202.8125 -170.6332 761267.1024 7.2740 7.3512 PRESSURE: 1025600 51.0899 9.17179 225.892 9.17172 159.155 -46.2405 225.892 -46.2395 103.377 GPRESSURE: 1025600 141.42 76.2118 51.7631 23.5487 185.319 -72.437 217.276 22.662 79.1443 PRESSAVG: 1025600 5.96143 -22.9684 -56.6437 -22.9685 41.6653 59.0627 -56.6437 59.0627 2.58861 GPRESSAVG: 1025600 5.77865 -21.6951 -59.1667 -21.8514 43.1523 58.9193 -54.8594 57.3214 1.42754 TIMING: 1025600 CPU: 3304.22, 0.00317191/step Wall: 3304.22, 0.00317191/step, 3.50179 hours remaining, 232.289062 MB of memory in use. ENERGY: 1025600 4006.7393 20596.7119 14395.2285 238.1822 -203405.8188 2596.2251 0.0000 0.0000 51854.6514 -109718.0805 298.0094 -161572.7319 -109352.3367 299.0711 104.5408 135.2944 759375.4434 16.7385 16.7862 PRESSURE: 1025800 -517.751 -107.332 18.2302 -107.331 57.9917 13.3039 18.2303 13.3047 -271.711 GPRESSURE: 1025800 -416.995 -12.7032 109.388 -74.2744 29.0157 129.086 33.4356 9.44588 -259.567 PRESSAVG: 1025800 -17.2592 -35.4421 17.1047 -35.4421 36.4154 -9.94885 17.1047 -9.94889 -8.79462 GPRESSAVG: 1025800 -17.3029 -35.7561 20.6847 -35.8031 35.2769 -8.67993 13.6073 -6.89848 -7.35487 TIMING: 1025800 CPU: 3304.86, 0.00318906/step Wall: 3304.86, 0.00318906/step, 3.52055 hours remaining, 232.289062 MB of memory in use. ENERGY: 1025800 3947.5728 20412.5798 14471.1818 243.9516 -203149.2845 2231.9105 0.0000 0.0000 52006.0133 -109836.0747 298.8793 -161842.0880 -109464.6091 299.0729 -243.8234 -215.8487 761090.8780 3.4538 3.5397 PRESSURE: 1026000 6.70438 154.376 115.438 154.376 34.391 209.053 115.438 209.053 210.557 GPRESSURE: 1026000 -19.3041 124.649 117.347 75.3224 81.7373 170.596 9.98291 38.4521 254.537 PRESSAVG: 1026000 -35.869 -47.0837 19.1465 -47.0837 12.4469 -6.18642 19.1465 -6.18635 -5.01027 GPRESSAVG: 1026000 -35.5884 -48.3302 16.7875 -46.5017 12.7261 -6.38829 20.1868 -8.18019 -5.95428 TIMING: 1026000 CPU: 3305.5, 0.00319653/step Wall: 3305.5, 0.00319653/step, 3.52861 hours remaining, 232.289062 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: 1026000 3943.4160 20502.5123 14510.5910 233.1920 -203327.3425 2365.2756 0.0000 0.0000 52042.8840 -109729.4716 299.0912 -161772.3556 -109366.7619 298.9288 83.8840 105.6566 760274.0036 -9.4775 -9.6055 PRESSURE: 1026200 -81.6232 -13.9982 162.039 -13.9979 -220.4 300.386 162.039 300.386 -138.022 GPRESSURE: 1026200 -51.681 -74.896 149.578 -16.7165 -133.169 244.201 253.055 146.88 -148.049 PRESSAVG: 1026200 -17.3071 -88.5214 5.09553 -88.5214 6.86804 7.9944 5.09554 7.99446 23.887 GPRESSAVG: 1026200 -18.7575 -87.5291 6.40876 -89.088 7.70485 8.16684 5.53665 9.49816 24.2707 TIMING: 1026200 CPU: 3306.13, 0.00318629/step Wall: 3306.13, 0.00318629/step, 3.51713 hours remaining, 232.289062 MB of memory in use. ENERGY: 1026200 3987.9651 20516.9582 14505.5985 244.8065 -203516.9305 2611.0934 0.0000 0.0000 52070.7350 -109579.7738 299.2512 -161650.5088 -109217.9004 299.2136 -146.6816 -110.9662 761291.2313 4.4826 4.4060 PRESSURE: 1026400 -288.886 -156.061 306.591 -156.061 52.417 -55.9696 306.591 -55.9697 143.089 GPRESSURE: 1026400 -196.988 -105.106 279.346 -99.275 32.9291 -101.052 263.836 -8.38208 160.76 PRESSAVG: 1026400 -12.2365 -36.0151 54.5128 -36.0151 -16.8421 -21.2369 54.5129 -21.2369 -32.2317 GPRESSAVG: 1026400 -11.6438 -35.7333 54.3403 -36.576 -17.3529 -22.1177 55.0478 -22.6223 -31.5539 TIMING: 1026400 CPU: 3306.77, 0.00319522/step Wall: 3306.77, 0.00319522/step, 3.52681 hours remaining, 232.289062 MB of memory in use. ENERGY: 1026400 3993.1309 20575.3896 14491.9506 247.7029 -203311.9945 2472.2280 0.0000 0.0000 52152.4245 -109379.1679 299.7207 -161531.5924 -109023.3729 299.3941 -31.1264 -1.0997 760526.2757 -20.4368 -20.1835 PRESSURE: 1026600 -354.182 37.4476 90.3282 37.4476 -276.497 10.9516 90.3273 10.951 -247.155 GPRESSURE: 1026600 -349.589 108.27 90.855 -136.539 -231.573 88.102 92.4857 -128.588 -194.932 PRESSAVG: 1026600 15.7888 -49.2956 17.1368 -49.2955 -13.7227 -4.01498 17.1369 -4.01493 4.16666 GPRESSAVG: 1026600 16.5621 -49.3164 15.3466 -50.3666 -13.3927 -3.74042 16.9089 -4.9515 3.15212 TIMING: 1026600 CPU: 3307.41, 0.00318804/step Wall: 3307.41, 0.00318804/step, 3.51871 hours remaining, 232.289062 MB of memory in use. ENERGY: 1026600 4055.0849 20586.5957 14499.0229 235.2436 -203063.5629 2230.6195 0.0000 0.0000 52155.3306 -109301.6657 299.7374 -161456.9963 -108931.3419 299.6303 -292.6113 -258.6981 761842.5685 2.0776 2.1072 PRESSURE: 1026800 174.788 207.857 -86.413 207.858 -46.6692 -98.6808 -86.4124 -98.6806 80.1867 GPRESSURE: 1026800 274.078 178.027 -135.891 154.263 -105.563 -140.904 93.5396 -99.3801 139.802 PRESSAVG: 1026800 3.92201 26.5501 7.96101 26.5501 -6.82606 -2.39483 7.96104 -2.39479 3.96309 GPRESSAVG: 1026800 3.7069 26.3791 9.45239 26.1409 -7.33593 -1.69377 10.6901 -1.78341 4.76113 TIMING: 1026800 CPU: 3308.04, 0.00317492/step Wall: 3308.04, 0.00317492/step, 3.50406 hours remaining, 232.289062 MB of memory in use. ENERGY: 1026800 3918.7870 20478.6321 14510.4502 261.4383 -203492.1324 2713.4271 0.0000 0.0000 52270.1884 -109339.2094 300.3975 -161609.3978 -108960.5505 299.8328 69.4353 102.7723 760359.3561 0.3530 0.3774 PRESSURE: 1027000 -45.2234 -31.1984 -290.528 -31.198 243.989 -227.295 -290.527 -227.295 209.004 GPRESSURE: 1027000 -17.2986 -160.246 -286.728 -45.1871 247.562 -162.548 -383.785 -256.296 270.133 PRESSAVG: 1027000 9.3923 21.1365 -27.7637 21.1365 2.34215 -75.9949 -27.7637 -75.9949 -1.3421 GPRESSAVG: 1027000 9.70796 20.9412 -27.9268 22.8492 2.11667 -74.2211 -29.584 -75.8546 -1.51996 TIMING: 1027000 CPU: 3308.68, 0.00318887/step Wall: 3308.68, 0.00318887/step, 3.51928 hours remaining, 232.289062 MB of memory in use. ENERGY: 1027000 3935.9577 20417.1358 14498.5225 233.6213 -203728.8676 2945.0080 0.0000 0.0000 52503.1799 -109195.4424 301.7365 -161698.6223 -108825.0356 299.4247 135.9234 166.7987 761200.9058 3.4641 3.4349 PRESSURE: 1027200 -102.492 -94.0004 -368.212 -94.0004 171.439 -121.475 -368.212 -121.476 387.871 GPRESSURE: 1027200 -113.747 -13.3548 -387.837 27.956 270.791 -90.2497 -239.966 -161.026 385.734 PRESSAVG: 1027200 -42.5811 4.69106 -30.5458 4.69111 47.1548 -39.1984 -30.5458 -39.1983 34.3351 GPRESSAVG: 1027200 -42.9603 5.72834 -29.1749 3.10827 46.8907 -39.2822 -32.6705 -40.4586 34.6598 TIMING: 1027200 CPU: 3309.32, 0.00318127/step Wall: 3309.32, 0.00318127/step, 3.51071 hours remaining, 232.289062 MB of memory in use. ENERGY: 1027200 3930.8506 20531.4604 14554.3799 262.0355 -203148.4754 2364.7653 0.0000 0.0000 52062.8057 -109442.1780 299.2057 -161504.9838 -109076.9430 300.0520 152.2729 180.9258 761981.7359 12.9696 12.8634 PRESSURE: 1027400 -229.161 193.529 26.5643 193.53 -24.911 36.3283 26.5645 36.3289 -587.341 GPRESSURE: 1027400 -197.631 260.592 90.4047 107.529 59.9756 94.261 82.4929 14.5666 -602.649 PRESSAVG: 1027400 -69.9053 -27.7076 -11.6129 -27.7075 61.5658 -13.2861 -11.6129 -13.2861 -15.4521 GPRESSAVG: 1027400 -69.7128 -26.9215 -12.6349 -27.4329 62.194 -14.6762 -10.4751 -12.6103 -16.7897 TIMING: 1027400 CPU: 3309.96, 0.00319514/step Wall: 3309.96, 0.00319514/step, 3.52584 hours remaining, 232.289062 MB of memory in use. ENERGY: 1027400 4078.4979 20648.2468 14570.6836 259.8628 -203070.3650 2079.3711 0.0000 0.0000 52231.9998 -109201.7030 300.1780 -161433.7027 -108839.6221 299.9354 -280.4710 -246.7684 762012.2097 -7.9306 -8.1028 PRESSURE: 1027600 -180.215 -52.8604 192.643 -52.8604 56.7365 72.5772 192.643 72.5771 -80.2757 GPRESSURE: 1027600 -74.1906 -80.7316 184.088 89.0191 78.9186 -19.7781 209.421 70.8164 -105.874 PRESSAVG: 1027600 41.74 70.5648 14.6947 70.5648 24.9631 24.4835 14.6946 24.4835 -19.0681 GPRESSAVG: 1027600 41.5596 70.1921 16.0921 69.2533 24.7252 23.9313 15.8359 26.0597 -19.053 TIMING: 1027600 CPU: 3310.59, 0.00318688/step Wall: 3310.59, 0.00318688/step, 3.51655 hours remaining, 232.289062 MB of memory in use. ENERGY: 1027600 3988.1770 20521.1433 14442.5197 254.2243 -203149.7873 2263.7121 0.0000 0.0000 52259.8721 -109420.1387 300.3382 -161680.0107 -109052.1514 300.1104 -67.9180 -33.7152 760739.7077 15.8783 15.7439 PRESSURE: 1027800 151.555 106.62 -105.364 106.619 33.784 -197.396 -105.365 -197.396 -34.2204 GPRESSURE: 1027800 132.237 106.824 -108.353 140.585 36.4072 -141.935 -77.5569 -92.7999 82.452 PRESSAVG: 1027800 -36.2622 -43.5698 -49.9504 -43.5699 34.429 16.4864 -49.9504 16.4864 20.7392 GPRESSAVG: 1027800 -35.8598 -44.0553 -51.4014 -40.9514 34.6321 16.4483 -50.2422 15.5834 20.0939 TIMING: 1027800 CPU: 3311.23, 0.00318723/step Wall: 3311.23, 0.00318723/step, 3.51675 hours remaining, 232.289062 MB of memory in use. ENERGY: 1027800 4039.5983 20456.9751 14472.5796 235.6876 -203148.4549 2328.3565 0.0000 0.0000 52483.9839 -109131.2739 301.6262 -161615.2578 -108770.1061 299.9326 50.3730 83.6987 761072.2096 6.3020 6.2887 PRESSURE: 1028000 -98.8731 214.341 83.1676 214.341 10.322 121.081 83.1669 121.081 -519.475 GPRESSURE: 1028000 -159.062 123.272 61.3947 238.262 72.0422 157.044 43.9101 109.79 -433.189 PRESSAVG: 1028000 -18.0313 -32.2292 35.7714 -32.2292 43.9462 3.14729 35.7714 3.14733 1.18562 GPRESSAVG: 1028000 -17.2393 -34.8941 36.1746 -32.36 41.9904 4.23105 36.4302 1.58703 2.22941 TIMING: 1028000 CPU: 3311.87, 0.00319767/step Wall: 3311.87, 0.00319767/step, 3.5281 hours remaining, 232.289062 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: 1028000 3990.9741 20557.2512 14440.2593 250.1063 -203080.1904 2404.6346 0.0000 0.0000 52279.2170 -109157.7480 300.4494 -161436.9650 -108803.2640 300.3576 -202.6753 -173.4030 761669.2827 9.0335 8.9935 PRESSURE: 1028200 -91.7814 -46.1015 21.5977 -46.1014 -218.686 -73.1649 21.5963 -73.1645 80.0518 GPRESSURE: 1028200 -71.4371 56.014 30.7672 29.9317 -112.907 -126.529 -60.9364 -54.5941 51.3949 PRESSAVG: 1028200 -38.7749 -36.375 -17.478 -36.3749 22.8514 38.4108 -17.478 38.4108 -15.0423 GPRESSAVG: 1028200 -39.2116 -32.7737 -18.9593 -36.8952 23.2446 36.7934 -18.5788 39.0241 -15.1456 TIMING: 1028200 CPU: 3312.51, 0.00317746/step Wall: 3312.51, 0.00317746/step, 3.50562 hours remaining, 232.289062 MB of memory in use. ENERGY: 1028200 3990.3481 20494.6503 14573.1013 242.3322 -203405.0646 2724.0590 0.0000 0.0000 52105.5483 -109275.0255 299.4513 -161380.5738 -108910.4341 300.2219 -76.8052 -44.3163 759189.6140 -10.3219 -10.3709 LDB: ============= START OF LOAD BALANCING ============== 3324.93 LDB: ============== END OF LOAD BALANCING =============== 3324.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3324.94 LDB: ============= START OF LOAD BALANCING ============== 3325.26 LDB: Largest compute 7068 load 0.034516 is 17.7% of average load 0.195552 LDB: Average compute 0.004404 is 2.3% of average load 0.195552 LDB: TIME 3325.26 LOAD: AVG 0.195552 MAX 0.215586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.418 MB LDB: TIME 3325.26 LOAD: AVG 0.195552 MAX 0.215586 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.551 MB LDB: TIME 3325.26 LOAD: AVG 0.195552 MAX 0.215586 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.551 MB LDB: ============== END OF LOAD BALANCING =============== 3325.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3325.27 PRESSURE: 1028400 -215.273 10.1832 -88.0043 10.1832 -197.413 38.86 -88.0043 38.86 -105.673 GPRESSURE: 1028400 -112.207 11.1732 -52.4385 -32.098 -213.313 29.4417 -31.3535 -15.3189 -103.633 PRESSAVG: 1028400 4.48466 -36.4899 -25.3588 -36.49 -27.7502 22.4038 -25.3588 22.4038 -19.5796 GPRESSAVG: 1028400 4.35488 -36.0775 -24.966 -37.9023 -27.4287 24.0121 -26.7653 22.9324 -20.6678 TIMING: 1028400 CPU: 3313.16, 0.00327215/step Wall: 3313.16, 0.00327215/step, 3.60991 hours remaining, 231.324219 MB of memory in use. ENERGY: 1028400 3985.2441 20521.3448 14535.9112 244.0556 -202539.8262 1965.1998 0.0000 0.0000 52277.3367 -109010.7341 300.4386 -161288.0707 -108650.8444 299.9876 -172.7863 -143.0508 760739.0797 -14.2817 -14.5805 PRESSURE: 1028600 -260.911 5.31146 -176.26 5.31221 46.9706 84.1962 -176.259 84.1958 163.133 GPRESSURE: 1028600 -118.73 -89.7416 -129.399 -161.994 58.6013 122.889 -164.867 -3.81712 112.382 PRESSAVG: 1028600 -2.93003 -56.9475 -29.4516 -56.9475 38.4585 50.6667 -29.4517 50.6666 28.1607 GPRESSAVG: 1028600 -2.84641 -59.5346 -28.962 -56.8057 37.4706 50.0067 -26.8776 50.2323 28.8746 TIMING: 1028600 CPU: 3313.8, 0.0031927/step Wall: 3313.8, 0.0031927/step, 3.52208 hours remaining, 231.324219 MB of memory in use. ENERGY: 1028600 4053.5793 20389.0226 14503.0470 247.9836 -202952.8094 2259.1536 0.0000 0.0000 52338.8518 -109161.1716 300.7921 -161500.0234 -108786.0092 300.1349 -16.9360 17.4177 759809.6914 21.2297 21.1663 PRESSURE: 1028800 -209.062 50.8645 -33.9798 50.8645 -136.071 63.6484 -33.9799 63.6485 276.867 GPRESSURE: 1028800 -125.047 4.01228 -160.99 -33.2358 -45.3964 60.1073 23.6938 31.1486 193.403 PRESSAVG: 1028800 -15.266 -2.93816 -52.2904 -2.93817 7.85286 15.5961 -52.2905 15.5961 1.1474 GPRESSAVG: 1028800 -15.1273 -3.64263 -52.4656 -2.27952 9.08141 15.938 -53.4416 14.718 0.54238 TIMING: 1028800 CPU: 3314.44, 0.00320097/step Wall: 3314.44, 0.00320097/step, 3.53103 hours remaining, 231.582031 MB of memory in use. ENERGY: 1028800 3985.1153 20694.3082 14543.2598 248.0546 -203251.7696 2639.2785 0.0000 0.0000 52196.1367 -108945.6164 299.9719 -161141.7531 -108576.7855 300.7462 -22.7554 7.6533 762699.3766 -2.0886 -1.8345 PRESSURE: 1029000 132.154 -82.2185 20.0873 -82.2183 -232.505 23.8208 20.0875 23.821 -508.786 GPRESSURE: 1029000 236.321 55.9181 41.0181 -25.0026 -263.622 45.0979 83.6989 147.424 -493.16 PRESSAVG: 1029000 -20.0209 -20.1936 -26.7022 -20.1936 47.4554 48.6799 -26.7022 48.6799 -16.5581 GPRESSAVG: 1029000 -20.0801 -20.3927 -28.5823 -20.687 47.6132 48.3182 -26.6166 48.5546 -16.6892 TIMING: 1029000 CPU: 3315.07, 0.00317145/step Wall: 3315.07, 0.00317145/step, 3.49829 hours remaining, 231.582031 MB of memory in use. ENERGY: 1029000 4013.5502 20619.6738 14534.1569 257.1851 -203430.3473 2507.9774 0.0000 0.0000 52546.8640 -108950.9399 301.9875 -161497.8039 -108582.2941 300.7927 -203.0457 -173.4871 761265.5724 3.6255 3.6146 PRESSURE: 1029200 -163.629 59.1103 -176.141 59.1101 153.016 143.676 -176.141 143.676 177.952 GPRESSURE: 1029200 -123.268 -47.6051 -223.127 56.0585 214.521 144.312 -167.157 110.814 154.066 PRESSAVG: 1029200 37.0294 -31.6335 -25.6676 -31.6336 -4.14572 30.1168 -25.6676 30.1168 -6.49121 GPRESSAVG: 1029200 37.0661 -32.0449 -23.681 -30.9333 -4.48401 31.2439 -27.4198 30.0968 -6.1969 TIMING: 1029200 CPU: 3315.71, 0.00317274/step Wall: 3315.71, 0.00317274/step, 3.49953 hours remaining, 231.582031 MB of memory in use. ENERGY: 1029200 4039.8114 20602.7103 14470.5991 242.1809 -203089.2386 2544.8019 0.0000 0.0000 52238.5158 -108950.6192 300.2155 -161189.1351 -108587.2095 300.5092 55.7799 81.7729 761882.1504 8.7975 8.7951 PRESSURE: 1029400 -276.313 -27.9345 -147.58 -27.9338 -332.127 163.55 -147.581 163.55 -135.377 GPRESSURE: 1029400 -247.025 -24.683 -218.92 -12.5887 -215.272 129.373 -3.12947 236.277 -181.918 PRESSAVG: 1029400 -34.1964 -102.456 -28.4326 -102.456 12.3118 25.8042 -28.4326 25.8041 0.608398 GPRESSAVG: 1029400 -36.0148 -99.3307 -29.2021 -101.335 13.174 24.1496 -27.006 26.7719 1.11856 TIMING: 1029400 CPU: 3316.34, 0.00316165/step Wall: 3316.34, 0.00316165/step, 3.48713 hours remaining, 231.582031 MB of memory in use. ENERGY: 1029400 4049.2412 20546.4322 14451.5779 251.4244 -203021.0260 2297.9860 0.0000 0.0000 52501.5831 -108922.7813 301.7273 -161424.3644 -108545.7276 300.1929 -247.9389 -214.7386 761926.6127 -7.0921 -7.2408 PRESSURE: 1029600 -135.021 149.898 71.3808 149.898 -406.507 374.767 71.3812 374.767 315.122 GPRESSURE: 1029600 -25.2655 121.004 80.9041 105.503 -306.856 303.663 -59.2376 435.223 218.714 PRESSAVG: 1029600 45.0222 -41.544 7.86524 -41.544 8.94901 0.939872 7.86528 0.939813 9.99695 GPRESSAVG: 1029600 46.5205 -43.7939 8.62505 -40.0487 7.43641 1.85936 9.17942 0.696268 9.88802 TIMING: 1029600 CPU: 3316.98, 0.00318116/step Wall: 3316.98, 0.00318116/step, 3.50847 hours remaining, 231.582031 MB of memory in use. ENERGY: 1029600 4147.0298 20523.5433 14560.5249 246.3719 -203061.7292 2417.2948 0.0000 0.0000 52413.8941 -108753.0705 301.2234 -161166.9646 -108397.1048 301.0874 -75.4686 -37.8025 760966.1834 21.3227 21.2816 PRESSURE: 1029800 38.4623 73.9459 12.4188 73.9461 174.495 -189.463 12.4191 -189.463 -13.6931 GPRESSURE: 1029800 23.0009 -37.4984 40.772 25.1532 152.375 -184.725 78.6669 -289.277 92.4936 PRESSAVG: 1029800 35.6704 0.615925 -11.8047 0.615907 -55.7912 8.13523 -11.8047 8.13522 -19.472 GPRESSAVG: 1029800 34.6579 1.04988 -11.9092 -3.412 -54.8609 7.96324 -14.8111 8.72671 -19.6824 TIMING: 1029800 CPU: 3317.62, 0.00318692/step Wall: 3317.62, 0.00318692/step, 3.51464 hours remaining, 231.652344 MB of memory in use. ENERGY: 1029800 4008.5429 20544.7087 14522.4916 249.8448 -202723.8381 2253.0350 0.0000 0.0000 52311.6818 -108833.5332 300.6360 -161145.2150 -108467.5712 300.6778 66.4213 89.2898 763036.0982 -13.1976 -13.2951 PRESSURE: 1030000 -294.726 -69.2037 -227.791 -69.2028 -151.789 71.8067 -227.791 71.8053 -125.595 GPRESSURE: 1030000 -258.373 40.0211 -254.045 -29.7449 -145.562 170.673 -183.999 43.8347 -97.3904 PRESSAVG: 1030000 -9.11547 -13.2528 -1.78955 -13.2529 3.18894 0.0415844 -1.78951 0.0414361 -4.13502 GPRESSAVG: 1030000 -8.72959 -14.7088 -1.66356 -11.1924 1.61048 -0.225825 1.64686 -0.546979 -3.19917 TIMING: 1030000 CPU: 3318.26, 0.00320059/step Wall: 3318.26, 0.00320059/step, 3.52954 hours remaining, 231.652344 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: 1030000 4063.5508 20593.2542 14520.6003 223.2559 -203037.1425 2429.6851 0.0000 0.0000 52397.5620 -108809.2341 301.1295 -161206.7961 -108449.1437 300.4741 -190.7035 -167.1083 762062.6190 -3.3539 -3.4394 PRESSURE: 1030200 -255.796 -160.298 0.130668 -160.297 -276.717 0.334433 0.129338 0.332896 199.246 GPRESSURE: 1030200 -233.211 -223.114 42.7448 -77.4525 -178.739 36.6222 -21.9697 9.62388 177.945 PRESSAVG: 1030200 17.1265 -36.1293 -10.9061 -36.1292 -12.7327 48.6864 -10.9062 48.6864 41.425 GPRESSAVG: 1030200 17.5829 -33.9946 -11.9085 -35.4693 -11.2461 48.378 -13.7753 48.6567 40.0196 TIMING: 1030200 CPU: 3318.9, 0.0032028/step Wall: 3318.9, 0.0032028/step, 3.5318 hours remaining, 231.652344 MB of memory in use. ENERGY: 1030200 4054.3238 20687.7315 14498.0682 238.7181 -202768.5525 2288.1367 0.0000 0.0000 52205.8119 -108795.7623 300.0275 -161001.5742 -108440.2385 300.9021 -111.0888 -78.0016 761774.4856 15.2729 15.4521 PRESSURE: 1030400 -189.441 90.618 241.129 90.6179 60.282 -27.5186 241.129 -27.5185 76.4373 GPRESSURE: 1030400 -72.7612 128.294 189.376 42.3021 50.7975 -11.0218 294.315 0.538386 38.9319 PRESSAVG: 1030400 57.9962 -51.7181 1.317 -51.718 -42.2517 23.4202 1.31697 23.4201 10.1571 GPRESSAVG: 1030400 57.2517 -54.0689 2.17793 -52.0721 -42.9442 25.6867 1.63916 23.1474 11.5935 TIMING: 1030400 CPU: 3319.53, 0.00317586/step Wall: 3319.53, 0.00317586/step, 3.50192 hours remaining, 231.652344 MB of memory in use. ENERGY: 1030400 3955.1420 20529.4385 14547.4713 252.2382 -203044.8038 2326.4016 0.0000 0.0000 52426.2493 -109007.8629 301.2944 -161434.1122 -108646.0287 300.1910 -17.5739 5.6561 760229.5398 8.6338 8.6337 PRESSURE: 1030600 215.155 150.102 -57.6215 150.102 142.755 109.83 -57.6206 109.83 338.442 GPRESSURE: 1030600 139.16 59.8952 -25.0819 179.526 219.218 49.9577 -149.17 18.5846 422.785 PRESSAVG: 1030600 1.41285 -16.0347 -48.1263 -16.0348 28.0008 38.3534 -48.1264 38.3534 17.1999 GPRESSAVG: 1030600 2.13504 -12.5459 -46.1713 -16.585 28.8898 35.6394 -48.993 39.0896 15.3911 TIMING: 1030600 CPU: 3320.17, 0.00321366/step Wall: 3320.17, 0.00321366/step, 3.54341 hours remaining, 231.652344 MB of memory in use. ENERGY: 1030600 3875.2270 20577.2960 14588.4060 267.7632 -202894.9534 2441.5775 0.0000 0.0000 52189.9209 -108954.7629 299.9362 -161144.6838 -108596.5412 300.2586 232.1175 260.3875 760868.4283 15.5379 15.4720 PRESSURE: 1030800 59.5394 -97.4378 -69.6352 -97.4368 133.682 99.9671 -69.6355 99.9671 231.144 GPRESSURE: 1030800 -12.7019 -106.831 -60.2499 -74.8359 159.187 112.726 -88.3994 112.94 355.531 PRESSAVG: 1030800 -21.2889 -61.5497 -54.6354 -61.5496 70.5665 18.0473 -54.6354 18.0474 1.68805 GPRESSAVG: 1030800 -20.9703 -62.2943 -57.1786 -61.6216 69.1645 18.5517 -53.5792 17.8389 2.5261 TIMING: 1030800 CPU: 3320.82, 0.00320836/step Wall: 3320.82, 0.00320836/step, 3.5374 hours remaining, 231.652344 MB of memory in use. ENERGY: 1030800 4006.2661 20573.3085 14562.6295 262.5599 -203313.6338 2749.7699 0.0000 0.0000 52320.3401 -108838.7599 300.6857 -161159.1000 -108472.7329 300.5379 141.4552 167.3384 761000.5952 16.9886 16.9068 PRESSURE: 1031000 -250.429 120.747 10.7253 120.747 -151.121 -23.7322 10.7259 -23.7318 128.702 GPRESSURE: 1031000 -125.889 126.309 -35.5024 176.395 -98.7135 -17.0327 19.1097 -60.1699 49.0704 PRESSAVG: 1031000 45.412 -26.4003 0.0414867 -26.4003 -5.65843 13.4642 0.0414557 13.4641 -8.69599 GPRESSAVG: 1031000 45.728 -27.6996 0.286002 -26.7492 -5.86657 13.1029 1.7868 13.4073 -8.97816 TIMING: 1031000 CPU: 3321.46, 0.00321808/step Wall: 3321.46, 0.00321808/step, 3.54793 hours remaining, 231.652344 MB of memory in use. ENERGY: 1031000 3942.1442 20540.1990 14501.2745 227.9880 -203052.6044 2370.3766 0.0000 0.0000 52331.0849 -109139.5372 300.7475 -161470.6221 -108762.9566 300.1785 -90.9492 -58.5107 761453.1244 10.3525 10.2944 PRESSURE: 1031200 -167.75 -53.1225 207.638 -53.1223 -0.319132 -133.161 207.639 -133.161 -279.791 GPRESSURE: 1031200 -75.5642 39.3227 210.759 -55.2025 45.7202 -233.364 -53.235 -44.5841 -331.88 PRESSAVG: 1031200 37.3559 -17.7007 -50.1734 -17.7006 -31.2965 -10.5484 -50.1734 -10.5485 14.4825 GPRESSAVG: 1031200 36.4056 -17.63 -47.8207 -16.8441 -30.9091 -10.9729 -53.2209 -10.424 15.1285 TIMING: 1031200 CPU: 3322.1, 0.0032046/step Wall: 3322.1, 0.0032046/step, 3.5329 hours remaining, 231.652344 MB of memory in use. ENERGY: 1031200 3936.6878 20670.4477 14547.8169 242.4795 -202785.3393 2219.4749 0.0000 0.0000 52186.0321 -108982.4005 299.9138 -161168.4326 -108620.8814 300.0168 -149.2867 -120.5747 762498.5313 6.8473 6.8750 PRESSURE: 1031400 22.2848 -7.12069 277.986 -7.12113 -3.54865 -3.84849 277.986 -3.84851 -3.74272 GPRESSURE: 1031400 18.8875 13.9325 250.545 -14.3706 42.87 42.7674 250.135 103.101 26.5757 PRESSAVG: 1031400 2.148 28.4584 -36.6438 28.4584 -36.6988 -18.3041 -36.6438 -18.304 -17.9627 GPRESSAVG: 1031400 2.95139 28.0362 -39.0251 27.6197 -36.5694 -17.2103 -37.1301 -17.6634 -19.5956 TIMING: 1031400 CPU: 3322.74, 0.00319205/step Wall: 3322.74, 0.00319205/step, 3.51888 hours remaining, 231.652344 MB of memory in use. ENERGY: 1031400 4004.4672 20625.4434 14506.3563 261.0116 -203282.8047 2708.4024 0.0000 0.0000 52247.3187 -108929.8053 300.2661 -161177.1239 -108584.8526 300.2341 4.9978 29.4444 762416.3517 -17.5045 -17.7379 PRESSURE: 1031600 -253.869 -123.381 -335.791 -123.382 -80.5779 8.96187 -335.792 8.96152 234.487 GPRESSURE: 1031600 -165.749 -152.331 -326.32 -72.2404 -107.94 63.3329 -191.903 40.4049 261.974 PRESSAVG: 1031600 -20.6138 27.4414 35.4507 27.4414 61.2711 46.817 35.4507 46.817 0.0902287 GPRESSAVG: 1031600 -22.2429 26.1608 37.3954 29.1997 61.382 46.766 36.2603 44.8151 1.12368 TIMING: 1031600 CPU: 3323.37, 0.00318339/step Wall: 3323.37, 0.00318339/step, 3.50915 hours remaining, 231.652344 MB of memory in use. ENERGY: 1031600 4048.1355 20394.8621 14608.6968 251.8368 -202857.8099 2229.4041 0.0000 0.0000 52297.3851 -109027.4894 300.5538 -161324.8745 -108670.1040 300.4150 -33.3201 -3.9051 760951.2952 13.5825 13.4209 PRESSURE: 1031800 219.196 -161.049 -140.672 -161.049 149.356 55.8573 -140.672 55.8585 457.791 GPRESSURE: 1031800 261.348 -176.598 -149.126 -56.1262 237.777 -17.629 -212.438 -44.7126 407.457 PRESSAVG: 1031800 -15.831 -6.06414 -17.7085 -6.06414 0.346195 29.2599 -17.7085 29.2599 13.7128 GPRESSAVG: 1031800 -14.5918 -3.84562 -16.7676 -6.77204 -0.115434 28.3371 -18.3548 30.5945 13.1284 TIMING: 1031800 CPU: 3324.02, 0.00320535/step Wall: 3324.02, 0.00320535/step, 3.53318 hours remaining, 231.652344 MB of memory in use. ENERGY: 1031800 4005.9206 20419.7030 14561.0024 234.4716 -203347.1709 2688.2876 0.0000 0.0000 52545.5216 -108892.2641 301.9798 -161437.7856 -108521.7678 300.4788 275.4476 302.1939 760204.9646 -0.5907 -0.5263 PRESSURE: 1032000 -373.078 -217.828 220.534 -217.829 -29.1329 111.043 220.534 111.042 -45.3186 GPRESSURE: 1032000 -279.799 -229.773 258.463 -79.832 -98.8051 51.5049 139.443 205.242 12.589 PRESSAVG: 1032000 -5.28629 3.48381 -5.43531 3.4838 2.89043 46.0543 -5.43534 46.0543 -16.4476 GPRESSAVG: 1032000 -5.23499 4.48573 -6.51065 1.1743 2.72462 48.5187 -3.83524 46.0362 -16.4679 TIMING: 1032000 CPU: 3324.65, 0.00318881/step Wall: 3324.65, 0.0031888/step, 3.51477 hours remaining, 231.652344 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: 1032000 3933.0139 20624.1313 14544.6033 255.3018 -203001.5634 2324.9696 0.0000 0.0000 52418.6955 -108900.8478 301.2510 -161319.5433 -108539.9603 300.4252 -149.1764 -122.0051 761844.2249 -6.2812 -6.3261 PRESSURE: 1032200 -157.62 83.7868 0.24783 83.7873 -48.2999 -123.06 0.247791 -123.06 -156.985 GPRESSURE: 1032200 -47.2543 149.599 35.1577 59.0051 -47.4179 -146.754 116.651 -94.0402 -163.742 PRESSAVG: 1032200 -61.6831 -35.2458 -60.7365 -35.2457 85.2814 45.7806 -60.7365 45.7806 -13.9555 GPRESSAVG: 1032200 -60.7087 -36.9309 -61.0543 -34.1381 85.5905 43.9661 -59.9601 46.2691 -14.9405 TIMING: 1032200 CPU: 3325.29, 0.00318543/step Wall: 3325.29, 0.00318543/step, 3.51088 hours remaining, 231.652344 MB of memory in use. ENERGY: 1032200 3980.5813 20482.8266 14538.7389 238.1349 -202634.4941 2259.4406 0.0000 0.0000 52169.9223 -108964.8496 299.8213 -161134.7718 -108606.1247 300.1643 -120.9683 -86.1380 762482.3287 3.2143 3.3137 LDB: ============= START OF LOAD BALANCING ============== 3337.71 LDB: ============== END OF LOAD BALANCING =============== 3337.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3337.72 LDB: ============= START OF LOAD BALANCING ============== 3338.04 LDB: Largest compute 7070 load 0.036411 is 18.6% of average load 0.195612 LDB: Average compute 0.004394 is 2.2% of average load 0.195612 LDB: TIME 3338.04 LOAD: AVG 0.195612 MAX 0.215852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.309 MB LDB: TIME 3338.04 LOAD: AVG 0.195612 MAX 0.215852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: TIME 3338.04 LOAD: AVG 0.195612 MAX 0.215852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: ============== END OF LOAD BALANCING =============== 3338.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3338.05 PRESSURE: 1032400 -67.8314 -26.1114 183.695 -26.1106 -165.179 -95.5188 183.696 -95.5194 73.5893 GPRESSURE: 1032400 -66.8089 -70.8586 192.802 -109.951 -199.625 -53.2777 45.5834 6.56744 206.321 PRESSAVG: 1032400 -1.59535 3.78687 31.3581 3.78686 4.90464 12.9977 31.3581 12.9978 -11.6424 GPRESSAVG: 1032400 -3.22021 4.58855 31.5813 3.09246 5.09139 14.8382 30.6752 12.6683 -9.73671 TIMING: 1032400 CPU: 3325.94, 0.00324981/step Wall: 3325.94, 0.00324981/step, 3.58166 hours remaining, 231.589844 MB of memory in use. ENERGY: 1032400 4086.3296 20512.9358 14511.7063 260.0965 -202703.6746 2536.6423 0.0000 0.0000 52079.1654 -108716.7989 299.2997 -160795.9642 -108358.0108 300.1569 -53.1404 -20.0377 762747.0898 -2.7777 -2.6218 PRESSURE: 1032600 3.72895 -103.271 -109.931 -103.271 175.122 -101.492 -109.931 -101.492 149.162 GPRESSURE: 1032600 145.516 -52.188 -99.5312 -54.4718 242.422 -184.415 -132.693 -35.8636 46.3114 PRESSAVG: 1032600 46.8018 -17.6453 -10.6137 -17.6453 1.89139 -32.3098 -10.6137 -32.3098 16.6126 GPRESSAVG: 1032600 46.8031 -18.0856 -11.5254 -16.7029 2.51006 -33.9706 -10.9558 -32.3839 15.7844 TIMING: 1032600 CPU: 3326.58, 0.00319609/step Wall: 3326.58, 0.00319609/step, 3.52226 hours remaining, 231.589844 MB of memory in use. ENERGY: 1032600 3993.0656 20580.5895 14514.9478 245.5691 -202811.0105 2496.5941 0.0000 0.0000 52239.9007 -108740.3437 300.2234 -160980.2444 -108383.2382 300.8491 109.3378 144.7498 761732.7622 21.7686 21.6992 PRESSURE: 1032800 74.1089 -124.23 -98.1357 -124.229 -150.733 219.133 -98.135 219.133 -29.5443 GPRESSURE: 1032800 106.775 -226.818 -97.8781 -291.064 -60.5266 214.119 -30.0588 252.764 -55.5994 PRESSAVG: 1032800 41.7432 -48.8488 14.1675 -48.8488 -25.0421 27.8508 14.1675 27.8509 -15.5585 GPRESSAVG: 1032800 42.2412 -50.4802 14.3117 -49.1623 -25.6478 28.1572 16.1793 28.8029 -15.6545 TIMING: 1032800 CPU: 3327.22, 0.00321942/step Wall: 3327.22, 0.00321942/step, 3.5478 hours remaining, 231.589844 MB of memory in use. ENERGY: 1032800 4043.2874 20602.9277 14491.8871 245.3608 -203093.9049 2667.3743 0.0000 0.0000 52276.1117 -108766.9558 300.4315 -161043.0676 -108406.6099 300.6952 -35.3894 -3.1170 761181.9615 0.3808 0.3130 PRESSURE: 1033000 148.919 28.3421 113.94 28.3435 29.1794 44.2475 113.941 44.2475 303.496 GPRESSURE: 1033000 135.411 111.366 32.9944 17.8305 128.194 22.5077 244.654 41.7855 307.399 PRESSAVG: 1033000 16.4881 -73.0159 -12.0982 -73.0159 4.01173 23.4402 -12.0982 23.4403 -15.7092 GPRESSAVG: 1033000 16.0319 -72.3381 -13.1066 -73.6789 3.83968 22.2624 -12.36 23.3596 -15.6725 TIMING: 1033000 CPU: 3327.86, 0.00318614/step Wall: 3327.86, 0.00318614/step, 3.51095 hours remaining, 231.589844 MB of memory in use. ENERGY: 1033000 4032.5244 20488.5875 14575.3913 263.0695 -203031.8090 2517.6912 0.0000 0.0000 52152.1194 -109002.4258 299.7189 -161154.5452 -108643.4433 300.2477 160.5315 190.3347 762199.0207 1.5969 1.3997 PRESSURE: 1033200 29.1541 -76.7353 -81.2808 -76.7353 -64.7984 -11.974 -81.2811 -11.9752 69.822 GPRESSURE: 1033200 27.1023 -179.47 -104.156 -105.719 -13.9893 -20.9307 -63.5781 -44.8517 86.1638 PRESSAVG: 1033200 40.5784 -14.9811 -30.7534 -14.9811 -38.4219 30.941 -30.7533 30.941 16.5376 GPRESSAVG: 1033200 40.0465 -15.3359 -29.3169 -12.8243 -39.0902 32.0239 -31.7467 30.473 17.2322 TIMING: 1033200 CPU: 3328.51, 0.00322855/step Wall: 3328.51, 0.00322854/step, 3.5575 hours remaining, 231.589844 MB of memory in use. ENERGY: 1033200 3943.1652 20644.1903 14510.0421 256.0844 -203247.6756 2341.6794 0.0000 0.0000 52397.1566 -109155.3577 301.1272 -161552.5143 -108790.7079 300.0549 11.3926 33.0923 761845.8570 6.2313 6.0628 PRESSURE: 1033400 -90.2967 -54.361 -120.916 -54.3609 -251.111 44.0521 -120.916 44.052 13.443 GPRESSURE: 1033400 12.0194 -75.8467 -67.1228 -119.213 -279.273 88.771 -15.2185 76.5006 22.7735 PRESSAVG: 1033400 33.3086 -37.6376 -7.23676 -37.6376 -25.4112 51.0877 -7.23682 51.0877 -30.6177 GPRESSAVG: 1033400 33.0754 -35.2479 -7.38203 -41.4344 -24.8666 50.705 -8.94797 49.4811 -31.2071 TIMING: 1033400 CPU: 3329.15, 0.00319951/step Wall: 3329.15, 0.00319951/step, 3.52532 hours remaining, 231.589844 MB of memory in use. ENERGY: 1033400 3935.7489 20660.7246 14503.9315 249.2357 -202805.4043 2020.7820 0.0000 0.0000 52282.4024 -109152.5792 300.4677 -161434.9816 -108793.3804 300.0738 -109.3216 -81.4933 761993.1196 -7.5734 -7.6661 PRESSURE: 1033600 381.135 74.6456 113.378 74.646 217.763 -50.898 113.378 -50.8965 53.391 GPRESSURE: 1033600 397.354 94.315 115.233 81.0153 170.06 -27.2946 166.298 -20.9955 159.749 PRESSAVG: 1033600 15.0706 -36.9086 -2.47685 -36.9086 -28.1388 14.8213 -2.47685 14.8213 -27.6784 GPRESSAVG: 1033600 15.0521 -41.9643 -2.7055 -32.9734 -28.3519 16.7608 0.193046 15.4165 -27.5322 TIMING: 1033600 CPU: 3329.79, 0.00320012/step Wall: 3329.79, 0.00320012/step, 3.52582 hours remaining, 231.589844 MB of memory in use. ENERGY: 1033600 3974.0041 20503.9172 14490.8492 266.4821 -203751.7344 2814.0377 0.0000 0.0000 52448.4614 -109253.9827 301.4220 -161702.4441 -108887.8559 300.7575 217.4299 242.3876 760800.6544 -13.5822 -13.6107 PRESSURE: 1033800 106.228 175.921 38.983 175.921 -138.161 6.49977 38.9822 6.49953 275.44 GPRESSURE: 1033800 78.5388 92.8464 74.9393 195.804 -70.2827 -22.0077 -39.5545 101.207 312.753 PRESSAVG: 1033800 50.8771 -69.7882 -18.6142 -69.7881 -48.9468 5.4573 -18.6143 5.45733 2.7404 GPRESSAVG: 1033800 51.8478 -65.55 -19.3189 -71.2951 -49.0669 3.84794 -18.2651 4.83318 1.6802 TIMING: 1033800 CPU: 3330.42, 0.00317579/step Wall: 3330.42, 0.00317579/step, 3.49884 hours remaining, 231.589844 MB of memory in use. ENERGY: 1033800 4041.7291 20492.1592 14546.7337 234.0182 -203097.6778 2389.7514 0.0000 0.0000 52320.0759 -109073.2102 300.6842 -161393.2862 -108718.0487 300.4024 81.1688 107.0030 759821.8637 1.5569 1.4870 PRESSURE: 1034000 21.9739 -281.335 136.259 -281.335 -175.614 155.339 136.259 155.34 100.597 GPRESSURE: 1034000 76.9555 -226.651 103.841 -338.171 -97.8011 171.432 55.7328 -2.72001 46.6979 PRESSAVG: 1034000 49.6105 -65.8558 52.0135 -65.8559 -36.8489 -27.1083 52.0135 -27.1084 -12.0602 GPRESSAVG: 1034000 48.7274 -66.7229 51.3669 -64.9017 -37.3919 -28.1037 49.9152 -26.5796 -10.1902 TIMING: 1034000 CPU: 3331.06, 0.00316534/step Wall: 3331.06, 0.00316534/step, 3.48715 hours remaining, 231.589844 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: 1034000 4089.2292 20447.5808 14489.3390 221.3649 -202908.1452 2348.3278 0.0000 0.0000 52135.6177 -109176.6857 299.6241 -161312.3035 -108806.6010 300.3786 -17.6811 8.6174 760348.5733 0.2338 0.3818 PRESSURE: 1034200 -70.9357 -295.184 -211.934 -295.184 336.765 -109.731 -211.934 -109.73 246.637 GPRESSURE: 1034200 -64.4858 -299.826 -242.297 -176.278 382.101 -116.257 -150.693 -48.5514 276.884 PRESSAVG: 1034200 23.0985 -82.4408 -9.27117 -82.4408 3.53302 -16.1745 -9.27112 -16.1745 12.7004 GPRESSAVG: 1034200 22.7561 -81.0156 -9.29226 -83.4441 4.80454 -15.1786 -7.89425 -16.8599 11.2711 TIMING: 1034200 CPU: 3331.69, 0.00317599/step Wall: 3331.69, 0.00317599/step, 3.4987 hours remaining, 231.589844 MB of memory in use. ENERGY: 1034200 3988.7309 20715.6609 14451.5843 256.9304 -203641.1380 2805.0624 0.0000 0.0000 52113.8248 -109309.3443 299.4989 -161423.1691 -108956.8937 300.2438 170.8221 198.1663 760670.2331 13.1106 12.9439 PRESSURE: 1034400 250.888 -19.2243 30.0792 -19.2247 447.299 135.644 30.0783 135.643 522.961 GPRESSURE: 1034400 340.689 -2.39877 9.47687 11.9295 472.799 140.231 42.4211 53.4669 481.776 PRESSAVG: 1034400 12.2351 -89.3177 -16.9158 -89.3176 -36.559 23.3668 -16.9158 23.3668 -3.1473 GPRESSAVG: 1034400 12.252 -91.3095 -15.1981 -87.7492 -36.1407 22.2482 -18.4796 26.3532 -3.81073 TIMING: 1034400 CPU: 3332.33, 0.00319813/step Wall: 3332.33, 0.00319813/step, 3.52292 hours remaining, 231.589844 MB of memory in use. ENERGY: 1034400 3934.1601 20630.3697 14467.2775 254.2562 -203609.6193 2598.0153 0.0000 0.0000 52213.9292 -109511.6114 300.0742 -161725.5406 -109149.7112 299.6505 407.0495 431.7546 761863.7738 -9.1571 -9.2331 PRESSURE: 1034600 -94.1298 -235.08 -52.256 -235.079 7.65919 431.575 -52.2557 431.574 62.5127 GPRESSURE: 1034600 45.1739 -195.315 -38.997 -246.538 -61.4251 405.496 -133.213 299.504 73.7827 PRESSAVG: 1034600 -8.68825 -48.3464 28.0033 -48.3464 57.0847 -48.9078 28.0032 -48.9079 3.55578 GPRESSAVG: 1034600 -8.56841 -48.2952 27.2258 -47.6104 55.8441 -47.7413 28.4759 -51.8317 4.44113 TIMING: 1034600 CPU: 3332.96, 0.00316339/step Wall: 3332.96, 0.00316339/step, 3.48447 hours remaining, 231.589844 MB of memory in use. ENERGY: 1034600 3978.6305 20600.7607 14527.1812 242.8360 -203034.9835 2294.1789 0.0000 0.0000 51947.8663 -109443.5300 298.5451 -161391.3963 -109085.9661 299.6144 -7.9860 19.1772 761971.0725 17.3174 17.2389 PRESSURE: 1034800 239.789 -268.961 -14.6603 -268.961 256.586 -4.81013 -14.6607 -4.80957 -223.758 GPRESSURE: 1034800 314.611 -189.432 -56.1856 -243.491 222.559 34.7125 -8.545 143.811 -179.405 PRESSAVG: 1034800 -22.6911 -122.968 13.3931 -122.968 6.847 67.8292 13.3931 67.8291 -26.8116 GPRESSAVG: 1034800 -23.0934 -122.215 12.1032 -123.478 7.18234 66.0072 13.3184 70.0146 -26.5013 TIMING: 1034800 CPU: 3333.6, 0.00316284/step Wall: 3333.6, 0.00316284/step, 3.48369 hours remaining, 231.589844 MB of memory in use. ENERGY: 1034800 4027.8142 20507.2785 14416.6242 248.5179 -203599.4381 2586.7075 0.0000 0.0000 52437.2726 -109375.2233 301.3577 -161812.4958 -109005.0684 299.7992 90.8722 119.2548 759621.2388 -14.2186 -14.1374 PRESSURE: 1035000 -36.086 -35.7399 -67.8192 -35.7392 -378.897 132.002 -67.8198 132.002 -347.649 GPRESSURE: 1035000 16.7539 -65.9921 -36.3464 23.6919 -273.599 6.44125 -47.8009 95.1019 -391.126 PRESSAVG: 1035000 6.07316 -71.6789 16.476 -71.6789 -2.19909 11.0438 16.476 11.0437 22.505 GPRESSAVG: 1035000 7.5633 -71.0396 18.576 -73.951 -2.90382 12.2861 15.4326 11.0126 21.8841 TIMING: 1035000 CPU: 3334.23, 0.00318258/step Wall: 3334.23, 0.00318258/step, 3.50525 hours remaining, 231.589844 MB of memory in use. ENERGY: 1035000 3969.0308 20621.4116 14483.9614 241.5070 -203508.7645 2274.6730 0.0000 0.0000 52281.2500 -109636.9307 300.4611 -161918.1807 -109276.9862 299.9354 -254.2106 -215.9905 758551.8738 8.7930 8.8479 PRESSURE: 1035200 -86.2029 -94.0502 8.43248 -94.0505 -95.6029 164.087 8.43133 164.086 -63.085 GPRESSURE: 1035200 -32.5816 -128.133 -47.0278 -114.897 -59.5221 77.9105 28.8892 94.7528 -54.2455 PRESSAVG: 1035200 -23.3612 -20.1214 -15.114 -20.1214 30.3302 32.5556 -15.114 32.5555 -9.65444 GPRESSAVG: 1035200 -24.144 -22.2524 -15.7675 -20.3968 30.9873 32.6531 -12.7177 30.726 -9.92204 TIMING: 1035200 CPU: 3334.87, 0.00319212/step Wall: 3334.87, 0.00319212/step, 3.51559 hours remaining, 231.589844 MB of memory in use. ENERGY: 1035200 4004.9693 20668.7888 14508.1897 273.7518 -204049.0315 2760.6164 0.0000 0.0000 52017.2501 -109815.4655 298.9439 -161832.7156 -109455.5571 299.6284 -81.6303 -48.7831 758821.1294 -0.8952 -1.0262 PRESSURE: 1035400 30.8485 -102.977 260.171 -102.977 38.5056 -132.268 260.171 -132.269 234.689 GPRESSURE: 1035400 107.877 -75.7826 203.542 -89.3077 87.8254 -112.815 239.386 -160.378 190.323 PRESSAVG: 1035400 4.05115 -53.3979 -7.34419 -53.3979 -15.7529 -34.1429 -7.34423 -34.1429 -13.0041 GPRESSAVG: 1035400 4.17685 -53.5323 -7.44269 -53.309 -15.9306 -35.3577 -9.04978 -31.3108 -12.8682 TIMING: 1035400 CPU: 3335.51, 0.00319593/step Wall: 3335.51, 0.00319593/step, 3.51961 hours remaining, 231.589844 MB of memory in use. ENERGY: 1035400 3983.3574 20401.6055 14463.0727 258.5775 -203706.3281 2633.3274 0.0000 0.0000 52169.2423 -109797.1453 299.8174 -161966.3876 -109433.7744 299.0707 101.3476 128.6750 760364.1361 -8.2353 -8.2073 PRESSURE: 1035600 327.626 126.844 264.302 126.843 85.6507 -139.493 264.301 -139.494 229.755 GPRESSURE: 1035600 334.889 44.6218 227.893 21.8099 118.299 -134.562 255.14 -200.693 263.259 PRESSAVG: 1035600 -51.9875 -105.952 -21.2506 -105.951 40.3465 -35.217 -21.2506 -35.217 3.697 GPRESSAVG: 1035600 -52.755 -105.776 -21.9551 -104.82 41.7842 -33.238 -21.307 -38.6279 3.1385 TIMING: 1035600 CPU: 3336.15, 0.00320719/step Wall: 3336.15, 0.00320719/step, 3.53183 hours remaining, 231.589844 MB of memory in use. ENERGY: 1035600 4029.9979 20525.9839 14404.8752 246.1414 -203606.2707 2681.0962 0.0000 0.0000 51895.2639 -109822.9122 298.2428 -161718.1760 -109458.5894 299.1107 214.3438 238.8154 760011.8062 -2.6480 -2.6108 PRESSURE: 1035800 171.462 103.99 -38.3429 103.988 275.025 -23.3456 -38.3432 -23.3458 64.2154 GPRESSURE: 1035800 246.157 107.099 -80.4879 63.9628 223.571 45.621 -80.9259 -64.4506 118.998 PRESSAVG: 1035800 44.1484 -48.4559 -5.82345 -48.4559 -12.101 -4.15312 -5.82347 -4.15316 9.63147 GPRESSAVG: 1035800 45.8371 -47.1318 -6.01699 -50.6944 -14.279 -4.21165 -6.66686 -4.0235 10.5326 TIMING: 1035800 CPU: 3336.79, 0.00321774/step Wall: 3336.79, 0.00321774/step, 3.54327 hours remaining, 231.589844 MB of memory in use. ENERGY: 1035800 3887.5782 20481.6899 14514.3729 237.1991 -203317.5744 2253.3523 0.0000 0.0000 52301.0355 -109642.3467 300.5748 -161943.3821 -109275.5951 298.9236 170.2342 196.2421 758925.9071 13.8930 14.0302 PRESSURE: 1036000 -61.3552 -235.425 -116.242 -235.425 -196.162 102.467 -116.241 102.466 253.701 GPRESSURE: 1036000 -8.51178 -138.534 -141.897 -189.813 -62.5886 37.1742 -39.1359 11.6996 174.953 PRESSAVG: 1036000 19.011 -37.2957 4.17815 -37.2957 -40.5579 -21.5781 4.17814 -21.5781 0.184956 GPRESSAVG: 1036000 18.2278 -40.0473 4.76673 -34.1672 -38.7674 -22.0829 5.90276 -22.6144 -0.715139 TIMING: 1036000 CPU: 3337.44, 0.00321065/step Wall: 3337.44, 0.00321065/step, 3.53528 hours remaining, 231.589844 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: 1036000 4010.2313 20602.4167 14471.2320 260.8852 -202827.4793 2277.5434 0.0000 0.0000 51727.8955 -109477.2752 297.2809 -161205.1706 -109126.3439 299.3908 -1.2721 34.6177 761543.5175 -7.1206 -7.0849 PRESSURE: 1036200 6.34596 127.431 227.13 127.431 -41.2203 12.1285 227.131 12.1282 -57.1625 GPRESSURE: 1036200 87.6039 52.1185 279.497 -57.6252 -19.4701 66.4776 69.4593 -24.5762 -60.8252 PRESSAVG: 1036200 39.0321 7.7531 13.4872 7.75306 -53.2409 -4.19627 13.4871 -4.19619 10.1065 GPRESSAVG: 1036200 38.3116 10.1074 13.0055 6.15736 -53.8658 -4.45776 12.0255 -2.32234 11.6963 TIMING: 1036200 CPU: 3338.07, 0.00316631/step Wall: 3338.07, 0.00316631/step, 3.48628 hours remaining, 231.589844 MB of memory in use. ENERGY: 1036200 3994.9831 20562.6102 14550.1545 242.6902 -203140.8073 2279.5223 0.0000 0.0000 52054.0131 -109456.8339 299.1551 -161510.8470 -109093.5521 299.3669 -30.6789 2.4362 760350.0993 -1.3674 -1.2860 LDB: ============= START OF LOAD BALANCING ============== 3350.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3350.49 LDB: =============== DONE WITH MIGRATION ================ 3350.5 LDB: ============= START OF LOAD BALANCING ============== 3350.81 LDB: Largest compute 7060 load 0.035280 is 18.0% of average load 0.195547 LDB: Average compute 0.004416 is 2.3% of average load 0.195547 LDB: TIME 3350.82 LOAD: AVG 0.195547 MAX 0.217557 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.129 MB LDB: TIME 3350.82 LOAD: AVG 0.195547 MAX 0.217557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: TIME 3350.82 LOAD: AVG 0.195547 MAX 0.217557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: ============== END OF LOAD BALANCING =============== 3350.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3350.82 PRESSURE: 1036400 -159.301 -77.0793 113.711 -77.079 -238.756 -103.247 113.711 -103.247 77.8539 GPRESSURE: 1036400 -54.8161 -104.265 167.906 -24.689 -285.393 -55.9954 14.2496 -44.7446 116.755 PRESSAVG: 1036400 56.7614 -42.9329 2.17962 -42.9329 -102.453 36.3432 2.17962 36.3432 -23.032 GPRESSAVG: 1036400 57.8237 -44.3705 4.76668 -42.4424 -102.373 36.261 2.92353 37.6627 -23.806 TIMING: 1036400 CPU: 3338.72, 0.00324139/step Wall: 3338.72, 0.00324139/step, 3.56877 hours remaining, 231.886719 MB of memory in use. ENERGY: 1036400 3972.9726 20649.2793 14512.8380 253.2026 -203158.0039 2461.1108 0.0000 0.0000 52009.3645 -109299.2361 298.8985 -161308.6007 -108945.0394 299.6963 -106.7345 -74.4847 760830.1439 -22.9079 -22.7849 PRESSURE: 1036600 -48.3367 112.983 -44.316 112.983 -28.2507 236.875 -44.3158 236.875 118.043 GPRESSURE: 1036600 -56.1735 82.23 -210.798 81.8274 -37.4395 192.17 74.2896 159.068 200.282 PRESSAVG: 1036600 35.063 -14.3263 -6.92516 -14.3262 -2.58035 11.6545 -6.92514 11.6546 0.768892 GPRESSAVG: 1036600 35.3978 -13.1245 -8.90175 -15.7947 -2.97114 11.7873 -6.68242 11.5171 1.39772 TIMING: 1036600 CPU: 3339.35, 0.00317059/step Wall: 3339.35, 0.00317059/step, 3.49064 hours remaining, 231.886719 MB of memory in use. ENERGY: 1036600 3970.3328 20495.9699 14558.1870 245.7379 -203455.3351 2589.8401 0.0000 0.0000 52199.9201 -109395.3474 299.9937 -161595.2675 -109029.1565 299.3421 13.8185 35.5563 761261.4718 11.0839 11.2748 PRESSURE: 1036800 -414.702 -44.5817 -32.3677 -44.5815 -151.336 -174.16 -32.3683 -174.16 -364.675 GPRESSURE: 1036800 -338.033 -24.689 -3.74659 22.7287 -170.693 -124.203 -32.6316 -294.712 -340.427 PRESSAVG: 1036800 9.27195 -69.688 -1.99203 -69.688 -17.8485 -10.0533 -1.99203 -10.0533 -18.7642 GPRESSAVG: 1036800 10.3413 -72.2501 -0.860593 -67.9052 -17.5973 -10.3335 -1.72652 -8.72532 -20.167 TIMING: 1036800 CPU: 3339.99, 0.00316776/step Wall: 3339.99, 0.00316776/step, 3.48735 hours remaining, 231.886719 MB of memory in use. ENERGY: 1036800 4061.1830 20416.3535 14462.2785 234.1739 -203131.5086 2502.0786 0.0000 0.0000 52143.7448 -109311.6963 299.6708 -161455.4411 -108939.3884 299.3203 -310.2374 -283.0511 763472.7785 -9.1136 -9.1410 PRESSURE: 1037000 -88.1766 -84.8993 -163.834 -84.8993 -144.444 -116.416 -163.834 -116.416 -250.685 GPRESSURE: 1037000 -21.9051 -141.706 -42.6076 -50.9405 -140.434 -103.698 -323.69 -139.454 -217.21 PRESSAVG: 1037000 -30.2519 0.039711 -78.8817 0.0396716 39.2458 -5.43157 -78.8817 -5.43147 -8.32207 GPRESSAVG: 1037000 -30.698 0.716566 -77.6627 0.432485 38.5136 -7.07434 -81.3441 -5.55548 -7.22013 TIMING: 1037000 CPU: 3340.62, 0.00316417/step Wall: 3340.62, 0.00316417/step, 3.48322 hours remaining, 231.886719 MB of memory in use. ENERGY: 1037000 3995.1931 20560.2916 14569.9545 224.1177 -202781.3131 2201.4316 0.0000 0.0000 51854.0867 -109376.2379 298.0061 -161230.3246 -109026.3177 299.3055 -161.1018 -126.5162 760767.4770 0.2240 0.1985 PRESSURE: 1037200 -469.321 -185.802 -277.216 -185.803 -277.634 53.2963 -277.217 53.2962 -524.985 GPRESSURE: 1037200 -468.426 -190.578 -276.326 -307.535 -251.348 39.4173 -294.157 4.02123 -470.346 PRESSAVG: 1037200 25.2354 -30.2144 -15.8697 -30.2145 13.7006 24.1493 -15.8698 24.1493 -5.85311 GPRESSAVG: 1037200 23.4833 -29.1074 -17.5115 -29.69 15.5207 26.5142 -15.7326 22.8564 -6.15243 TIMING: 1037200 CPU: 3341.25, 0.00318185/step Wall: 3341.25, 0.00318185/step, 3.50251 hours remaining, 231.886719 MB of memory in use. ENERGY: 1037200 3999.4061 20629.1079 14430.0816 259.1838 -203009.4916 2217.9065 0.0000 0.0000 51994.7968 -109479.0088 298.8148 -161473.8056 -109115.5928 299.9539 -423.9802 -396.7065 762557.3681 11.0276 10.9505 PRESSURE: 1037400 -44.4379 -71.9137 99.6824 -71.9144 45.8624 123.238 99.6829 123.238 -298.507 GPRESSURE: 1037400 -77.3513 -148.591 30.7435 -85.3207 105.737 128.652 71.9871 154.944 -230.015 PRESSAVG: 1037400 -30.7402 -5.31455 -35.7081 -5.3145 17.549 -4.10154 -35.708 -4.10147 8.77296 GPRESSAVG: 1037400 -29.6268 -6.01274 -34.9897 -5.1303 16.3654 -4.61264 -32.4252 -4.08749 9.30397 TIMING: 1037400 CPU: 3341.89, 0.00318585/step Wall: 3341.89, 0.00318585/step, 3.50674 hours remaining, 231.886719 MB of memory in use. ENERGY: 1037400 4026.2928 20523.6303 14412.7537 233.9084 -203696.6957 2547.5811 0.0000 0.0000 52347.6023 -109604.9271 300.8424 -161952.5293 -109239.7912 299.4740 -99.0273 -67.2097 761201.0666 -1.4727 -1.3191 PRESSURE: 1037600 -240.093 -76.0633 -59.0905 -76.0634 -560.59 3.78174 -59.09 3.78183 -208.617 GPRESSURE: 1037600 -266.434 -104.553 -178.589 -99.5003 -474.659 12.2648 -108.319 -148.868 -192.028 PRESSAVG: 1037600 -2.88208 -35.1072 -5.06071 -35.1073 -35.6549 25.9046 -5.06072 25.9046 4.64848 GPRESSAVG: 1037600 -2.22958 -33.6007 -7.01799 -35.7716 -36.5495 24.9008 -4.76685 25.6841 4.39686 TIMING: 1037600 CPU: 3342.52, 0.00316411/step Wall: 3342.52, 0.00316411/step, 3.48263 hours remaining, 231.886719 MB of memory in use. ENERGY: 1037600 4039.1441 20580.5697 14565.3939 234.3273 -203185.8602 2241.2550 0.0000 0.0000 52058.0947 -109467.0755 299.1786 -161525.1702 -109100.2530 299.3814 -336.4337 -311.0404 762176.3284 -11.2962 -11.4607 PRESSURE: 1037800 -231.258 -112.904 16.0453 -112.904 262.742 252.178 16.045 252.177 95.6823 GPRESSURE: 1037800 -239.025 -211.583 128.913 -256.547 321.479 275.229 21.1845 190.871 132.469 PRESSAVG: 1037800 -40.3997 -44.9544 0.790338 -44.9544 17.3578 22.0784 0.790441 22.0785 7.60733 GPRESSAVG: 1037800 -40.9454 -47.033 2.51051 -45.864 18.3915 23.4869 -1.25353 20.6331 6.82471 TIMING: 1037800 CPU: 3343.16, 0.00315288/step Wall: 3343.16, 0.00315288/step, 3.4701 hours remaining, 231.886719 MB of memory in use. ENERGY: 1037800 3961.7374 20479.1810 14545.7294 244.4785 -203587.4596 2806.4413 0.0000 0.0000 52364.0611 -109185.8309 300.9370 -161549.8920 -108824.3155 300.1267 42.3891 71.6410 760158.9495 -5.1448 -5.2431 PRESSURE: 1038000 -186.434 148.075 54.1119 148.076 82.1517 163.195 54.1119 163.195 266.164 GPRESSURE: 1038000 -115.303 62.9455 66.7807 124.78 79.2696 92.7511 -35.5296 17.1686 285.457 PRESSAVG: 1038000 -18.8357 23.0203 2.52338 23.0203 45.5664 46.7762 2.5234 46.7762 20.7368 GPRESSAVG: 1038000 -19.1771 24.1287 1.72849 22.4558 46.1178 45.5811 4.05091 48.9021 20.8713 TIMING: 1038000 CPU: 3343.79, 0.00316519/step Wall: 3343.79, 0.00316519/step, 3.48346 hours remaining, 231.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1038000 3939.6373 20847.8840 14519.4964 233.9829 -203575.0992 2606.2321 0.0000 0.0000 52287.5255 -109140.3410 300.4971 -161427.8665 -108775.8468 300.2481 53.9605 83.1409 759809.3411 15.8225 15.9373 PRESSURE: 1038200 -32.0473 -10.8594 36.5858 -10.8601 141.867 275.286 36.5861 275.286 -297.601 GPRESSURE: 1038200 -53.2712 51.8289 113.677 38.5282 159.603 277.057 -12.7702 250.1 -206.466 PRESSAVG: 1038200 -5.31161 25.1555 -31.0743 25.1554 5.38687 29.9866 -31.0743 29.9867 -7.81413 GPRESSAVG: 1038200 -5.26974 24.5809 -31.0193 26.2732 5.01636 30.9639 -32.6898 31.3493 -8.33896 TIMING: 1038200 CPU: 3344.43, 0.00319365/step Wall: 3344.43, 0.00319365/step, 3.51461 hours remaining, 231.886719 MB of memory in use. ENERGY: 1038200 4012.9027 20563.8488 14529.2631 254.8610 -203397.1945 2544.2663 0.0000 0.0000 52263.1744 -109228.8783 300.3572 -161492.0527 -108858.6034 300.4254 -62.5940 -33.3781 761675.5409 -2.5796 -2.8641 PRESSURE: 1038400 -102.808 -197.812 222.541 -197.813 -74.1161 131.963 222.542 131.964 -100 GPRESSURE: 1038400 -69.2634 -128.919 185.366 -130.332 -35.6793 173.489 229.413 167.673 -72.25 PRESSAVG: 1038400 16.4751 29.5871 5.77088 29.587 -22.7418 77.4117 5.7709 77.4117 16.8788 GPRESSAVG: 1038400 16.4708 28.1416 4.80884 30.5881 -23.5383 75.328 6.86774 76.9535 17.6241 TIMING: 1038400 CPU: 3345.06, 0.00318829/step Wall: 3345.06, 0.00318829/step, 3.50853 hours remaining, 231.886719 MB of memory in use. ENERGY: 1038400 3990.1912 20618.1390 14519.7689 236.0925 -203526.0616 2499.5124 0.0000 0.0000 52578.4748 -109083.8827 302.1692 -161662.3575 -108718.6806 300.2086 -92.3082 -59.0642 761298.6099 3.5374 3.5189 PRESSURE: 1038600 -87.9357 135.363 306.151 135.362 62.2034 69.4409 306.153 69.4398 21.5739 GPRESSURE: 1038600 -28.5697 187.745 265.589 113.071 55.8183 118.679 271.256 51.1594 27.9606 PRESSAVG: 1038600 9.75213 -8.65759 1.73469 -8.65763 3.75268 48.9319 1.73474 48.9319 -2.55814 GPRESSAVG: 1038600 9.36084 -6.66717 3.59757 -9.22982 4.38031 50.3618 0.248852 48.4343 -2.88331 TIMING: 1038600 CPU: 3345.7, 0.0031721/step Wall: 3345.7, 0.0031721/step, 3.49054 hours remaining, 231.886719 MB of memory in use. ENERGY: 1038600 4008.3782 20561.3307 14517.5220 251.6834 -203130.4215 2358.2318 0.0000 0.0000 51990.4745 -109442.8009 298.7900 -161433.2754 -109074.5050 300.2239 -1.3861 18.4030 761006.4969 3.6489 3.6193 PRESSURE: 1038800 26.6364 103.051 -7.51591 103.051 373.94 244.881 -7.51497 244.881 65.8503 GPRESSURE: 1038800 -10.8812 68.5475 -55.2848 63.1124 452.917 192.822 87.4849 282.316 124.107 PRESSAVG: 1038800 -65.536 5.50881 60.9817 5.50879 72.909 -35.9737 60.9818 -35.9736 25.765 GPRESSAVG: 1038800 -64.7642 6.9699 60.4768 5.44811 73.8762 -36.4195 61.5512 -36.6035 24.2936 TIMING: 1038800 CPU: 3346.33, 0.00317843/step Wall: 3346.33, 0.00317843/step, 3.49733 hours remaining, 231.886719 MB of memory in use. ENERGY: 1038800 3926.1309 20562.8593 14503.6160 243.6585 -203286.0668 2629.7391 0.0000 0.0000 52124.0974 -109295.9657 299.5579 -161420.0631 -108932.8185 299.5773 155.4756 188.7142 759982.8723 11.0460 11.1352 PRESSURE: 1039000 161.794 -205.945 -63.4148 -205.946 262.692 -234.388 -63.4147 -234.387 41.882 GPRESSURE: 1039000 161.723 -186.975 -64.6529 -113.196 248.212 -184.197 -37.8418 -178.168 139.98 PRESSAVG: 1039000 9.31182 -63.3743 -9.6681 -63.3743 12.5131 -19.9336 -9.66812 -19.9337 12.053 GPRESSAVG: 1039000 8.72267 -64.6289 -9.72567 -63.8982 12.5818 -20.8805 -9.76344 -19.8425 12.7734 TIMING: 1039000 CPU: 3346.97, 0.00317018/step Wall: 3346.97, 0.00317018/step, 3.48808 hours remaining, 231.886719 MB of memory in use. ENERGY: 1039000 3929.1973 20516.9648 14477.0192 244.6485 -203696.3528 2680.4999 0.0000 0.0000 52087.3154 -109760.7077 299.3465 -161848.0231 -109406.2016 299.2477 155.4560 183.3048 760698.4052 11.2926 11.3593 PRESSURE: 1039200 -53.1091 -70.9107 -74.6583 -70.911 -164.448 46.2593 -74.6579 46.2587 -215.677 GPRESSURE: 1039200 9.95268 -35.2259 -91.6888 -65.146 -146.373 106.779 -90.2693 113.543 -188.327 PRESSAVG: 1039200 -32.5562 -38.7111 -27.3431 -38.7111 2.34207 -15.583 -27.3431 -15.5829 -12.952 GPRESSAVG: 1039200 -33.3694 -38.6267 -27.6922 -38.8026 1.23531 -15.572 -28.3786 -14.7586 -11.4689 TIMING: 1039200 CPU: 3347.61, 0.00319238/step Wall: 3347.61, 0.00319238/step, 3.51232 hours remaining, 231.886719 MB of memory in use. ENERGY: 1039200 3948.8342 20647.5542 14450.2564 258.6001 -203021.2616 2279.5229 0.0000 0.0000 51935.5017 -109500.9921 298.4740 -161436.4938 -109133.7389 299.1518 -144.4111 -108.2491 761639.2589 -14.3887 -14.5343 PRESSURE: 1039400 99.3258 150.369 -91.4644 150.37 108.49 9.17209 -91.4645 9.1712 -108.243 GPRESSURE: 1039400 165.151 192.106 -51.8686 99.5936 87.844 124.947 -105.779 -130.502 -62.221 PRESSAVG: 1039400 -5.37505 -31.0341 -53.8301 -31.0341 -3.88445 -1.52303 -53.8301 -1.52304 17.6487 GPRESSAVG: 1039400 -3.87495 -31.6903 -55.1377 -31.4382 -3.73665 0.450243 -50.5033 -3.74851 16.1846 TIMING: 1039400 CPU: 3348.25, 0.0032014/step Wall: 3348.25, 0.0032014/step, 3.52208 hours remaining, 231.886719 MB of memory in use. ENERGY: 1039400 3990.5362 20432.6862 14547.3677 237.0003 -203003.9716 2239.8672 0.0000 0.0000 52098.1361 -109458.3779 299.4087 -161556.5141 -109089.8798 299.4197 33.1909 63.5913 761358.0250 2.7964 2.8577 PRESSURE: 1039600 -366.508 7.9517 -82.0289 7.9527 -234.174 -163.581 -82.0286 -163.581 -122.265 GPRESSURE: 1039600 -336.042 -156.416 -101.796 -67.7309 -188.947 -143.357 -108.191 -61.8329 -119.86 PRESSAVG: 1039600 23.5455 -63.3213 -63.7396 -63.3213 5.37243 -20.6974 -63.7396 -20.6974 -0.379488 GPRESSAVG: 1039600 23.7053 -62.1019 -62.9291 -64.7309 5.33839 -21.1474 -67.5757 -18.7652 -0.76731 TIMING: 1039600 CPU: 3348.88, 0.00316378/step Wall: 3348.88, 0.00316378/step, 3.48051 hours remaining, 231.886719 MB of memory in use. ENERGY: 1039600 4019.1207 20493.0208 14528.2512 248.6429 -203289.7642 2384.6343 0.0000 0.0000 52015.9597 -109600.1346 298.9364 -161616.0943 -109243.9754 298.9361 -240.9824 -214.9494 762382.4505 9.5128 9.4255 PRESSURE: 1039800 -127.373 -8.2996 -75.3753 -8.29892 33.7395 197.755 -75.3761 197.755 -149.788 GPRESSURE: 1039800 -45.7842 76.5248 -18.6551 -3.01027 22.2248 279.208 -20.6129 92.59 -135.997 PRESSAVG: 1039800 -41.9129 -14.7579 15.6606 -14.7577 59.0495 -16.5153 15.6606 -16.5153 4.5409 GPRESSAVG: 1039800 -41.8405 -15.648 16.7621 -13.2922 57.3032 -16.2249 16.8442 -19.6332 5.57062 TIMING: 1039800 CPU: 3349.51, 0.00316069/step Wall: 3349.51, 0.00316069/step, 3.47694 hours remaining, 231.886719 MB of memory in use. ENERGY: 1039800 3950.6835 20482.0433 14615.0273 237.7733 -203608.9300 2678.5126 0.0000 0.0000 52053.9027 -109590.9873 299.1545 -161644.8900 -109225.2557 299.3672 -81.1406 -53.1855 761816.9953 7.2258 7.0111 PRESSURE: 1040000 251.715 -57.052 -102.698 -57.0518 -13.2965 -5.39164 -102.699 -5.39222 479.837 GPRESSURE: 1040000 167.44 -61.8475 -38.8526 -109.575 44.0618 -33.2923 16.8158 46.044 588.712 PRESSAVG: 1040000 -22.0376 -2.73553 1.64244 -2.73552 1.64235 39.9502 1.64242 39.9502 -0.847654 GPRESSAVG: 1040000 -22.8147 -2.89933 1.36126 -3.75719 2.77189 40.0055 1.23406 42.5918 -1.79542 TIMING: 1040000 CPU: 3350.15, 0.00319992/step Wall: 3350.15, 0.00319992/step, 3.51991 hours remaining, 231.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1040000 3978.5714 20639.1594 14466.4434 225.1161 -203557.8533 2619.1443 0.0000 0.0000 52097.7616 -109531.6572 299.4066 -161629.4187 -109172.7561 299.1495 239.4185 266.7378 760283.1763 -7.0810 -7.2794 PRESSURE: 1040200 -202.929 -25.3147 -126.846 -25.3155 -52.6848 170.107 -126.846 170.108 375.593 GPRESSURE: 1040200 -179.23 -1.13251 -69.2657 -32.8719 -0.0778968 195.367 -86.6904 102.649 368.705 PRESSAVG: 1040200 -17.1161 -22.7143 -6.63687 -22.7143 -6.77945 -4.23514 -6.6368 -4.23519 -7.10293 GPRESSAVG: 1040200 -17.327 -22.164 -5.29878 -21.9719 -7.24941 -4.24886 -6.83879 -5.4976 -7.14224 TIMING: 1040200 CPU: 3350.79, 0.00316233/step Wall: 3350.79, 0.00316233/step, 3.47839 hours remaining, 231.886719 MB of memory in use. ENERGY: 1040200 4005.4292 20572.4147 14574.9318 242.3191 -203468.9561 2429.4872 0.0000 0.0000 52038.4570 -109605.9172 299.0657 -161644.3742 -109252.3604 298.4997 39.9931 63.1323 761596.0129 -10.3328 -10.5729 LDB: ============= START OF LOAD BALANCING ============== 3363.21 LDB: ============== END OF LOAD BALANCING =============== 3363.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3363.21 LDB: ============= START OF LOAD BALANCING ============== 3363.53 LDB: Largest compute 7070 load 0.032398 is 16.6% of average load 0.195499 LDB: Average compute 0.004401 is 2.3% of average load 0.195499 LDB: TIME 3363.53 LOAD: AVG 0.195499 MAX 0.215318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.66 MB LDB: TIME 3363.53 LOAD: AVG 0.195499 MAX 0.215318 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: TIME 3363.53 LOAD: AVG 0.195499 MAX 0.215318 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: ============== END OF LOAD BALANCING =============== 3363.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3363.54 PRESSURE: 1040400 -83.4456 21.1386 -148.509 21.1388 88.8556 -48.2986 -148.509 -48.2976 76.7127 GPRESSURE: 1040400 74.1124 -166.519 -139.944 -69.7037 7.37662 -83.3759 -214.657 -45.707 94.0981 PRESSAVG: 1040400 -36.7629 -61.2953 -7.32382 -61.2952 24.3741 52.7484 -7.32382 52.7485 1.28582 GPRESSAVG: 1040400 -36.6071 -63.2834 -8.01639 -61.1147 24.0761 52.7147 -6.13467 52.5874 1.5895 TIMING: 1040400 CPU: 3351.43, 0.00323383/step Wall: 3351.43, 0.00323383/step, 3.55686 hours remaining, 232.000000 MB of memory in use. ENERGY: 1040400 4032.8151 20562.3961 14588.9525 243.7933 -203503.0245 2554.9417 0.0000 0.0000 52053.6681 -109466.4577 299.1531 -161520.1258 -109114.7623 299.3349 27.3742 58.5290 760156.8317 -3.7010 -3.6471 PRESSURE: 1040600 20.5479 -221.786 14.9164 -221.787 28.9564 -258.897 14.9173 -258.897 -205.051 GPRESSURE: 1040600 30.1316 -169.458 -6.30472 -141.233 186.041 -235.969 95.4785 -234.844 -302.115 PRESSAVG: 1040600 -2.82814 -3.29291 -13.1418 -3.29291 62.4891 7.84167 -13.1417 7.84172 -1.46457 GPRESSAVG: 1040600 -4.84194 -1.25581 -11.8582 -5.89472 64.1956 7.62278 -13.1271 6.97477 -1.01085 TIMING: 1040600 CPU: 3352.07, 0.00317889/step Wall: 3352.07, 0.00317889/step, 3.49625 hours remaining, 232.070312 MB of memory in use. ENERGY: 1040600 3993.9769 20546.6522 14523.9225 237.4438 -203209.9990 2239.3400 0.0000 0.0000 52188.6385 -109480.0250 299.9288 -161668.6636 -109107.9264 299.4809 -51.8490 -28.6474 761957.6837 19.3988 19.4476 PRESSURE: 1040800 -54.4061 288.095 -39.8571 288.095 191.024 153.101 -39.857 153.101 -49.4589 GPRESSURE: 1040800 5.15608 228.573 -60.4995 281.973 227.68 89.5053 52.4044 135.228 -77.0064 PRESSAVG: 1040800 -48.9089 56.2149 -31.1397 56.2148 63.1545 13.5573 -31.1398 13.5573 1.16792 GPRESSAVG: 1040800 -47.7211 54.4936 -32.4926 59.733 62.576 12.232 -30.5366 14.5219 0.530563 TIMING: 1040800 CPU: 3352.7, 0.00318017/step Wall: 3352.7, 0.00318017/step, 3.49748 hours remaining, 232.507812 MB of memory in use. ENERGY: 1040800 3979.5170 20417.6138 14643.7119 241.4055 -203350.5849 2475.2845 0.0000 0.0000 52045.1288 -109547.9233 299.1041 -161593.0521 -109186.4406 299.0832 29.0531 51.9433 761616.8578 5.1379 5.1285 PRESSURE: 1041000 -232.414 -344.636 -158.617 -344.636 309.529 11.9901 -158.617 11.9889 108.322 GPRESSURE: 1041000 -93.2238 -338.502 -192.548 -289.799 320.051 78.6102 -251.031 77.2434 42.8431 PRESSAVG: 1041000 -24.6493 -32.6421 11.8715 -32.6421 10.3672 48.9236 11.8715 48.9236 22.0802 GPRESSAVG: 1041000 -22.4315 -32.8444 11.9212 -32.4202 9.38024 50.134 11.6105 50.7665 21.481 TIMING: 1041000 CPU: 3353.34, 0.00319082/step Wall: 3353.34, 0.00319082/step, 3.50901 hours remaining, 232.507812 MB of memory in use. ENERGY: 1041000 4031.4483 20553.4673 14520.0551 241.6855 -203069.9551 2227.1549 0.0000 0.0000 51997.7195 -109498.4246 298.8316 -161496.1440 -109149.9301 299.3459 61.8123 89.8902 761779.4396 2.5994 2.8099 PRESSURE: 1041200 22.0262 -102.075 14.5134 -102.075 -181.758 -78.5718 14.5139 -78.5708 21.5538 GPRESSURE: 1041200 -6.78905 -161.325 30.1291 -166.274 -171.711 -129.084 -59.9664 -94.3436 122.326 PRESSAVG: 1041200 -21.7035 -72.7977 7.33235 -72.7977 37.7403 -5.72557 7.33236 -5.72552 -1.43607 GPRESSAVG: 1041200 -23.8377 -71.0636 8.16029 -74.2931 38.1896 -5.42053 5.75778 -6.4681 0.18684 TIMING: 1041200 CPU: 3353.98, 0.0031753/step Wall: 3353.98, 0.0031753/step, 3.49178 hours remaining, 232.507812 MB of memory in use. ENERGY: 1041200 4002.2073 20493.0535 14547.6319 239.4937 -203228.5661 2479.2971 0.0000 0.0000 52023.6209 -109443.2616 298.9805 -161466.8825 -109082.5060 299.5218 -46.0594 -18.7247 762705.6053 4.8669 4.8462 PRESSURE: 1041400 -136.433 87.625 -209.886 87.6247 -287.577 -21.7511 -209.886 -21.7512 -635.76 GPRESSURE: 1041400 -179.556 68.5732 -184.49 -68.8706 -230.537 -54.3048 -115.191 -14.4163 -559.281 PRESSAVG: 1041400 -5.89601 -39.7122 -9.55752 -39.7121 28.544 -11.9614 -9.55749 -11.9614 2.27946 GPRESSAVG: 1041400 -6.51385 -40.6633 -9.34583 -38.9218 29.1766 -11.64 -8.55064 -13.3583 2.24686 TIMING: 1041400 CPU: 3354.62, 0.00319117/step Wall: 3354.62, 0.00319117/step, 3.50904 hours remaining, 232.507812 MB of memory in use. ENERGY: 1041400 4101.1171 20521.9441 14523.1454 238.8348 -203241.8399 2544.7856 0.0000 0.0000 52080.4577 -109231.5551 299.3071 -161312.0128 -108874.6566 299.5126 -353.2567 -323.1247 761832.2908 8.3092 8.3032 PRESSURE: 1041600 -409.555 -115.771 -223.384 -115.771 -661.825 38.3433 -223.385 38.3431 65.036 GPRESSURE: 1041600 -432.884 -100.945 -240.762 -129.767 -520.515 7.34735 -216.337 57.6717 34.4303 PRESSAVG: 1041600 24.0636 -10.1208 8.14291 -10.1208 5.43261 -22.0327 8.14287 -22.0326 -12.8204 GPRESSAVG: 1041600 26.4172 -9.50683 6.92275 -11.6958 4.6301 -22.9874 7.15639 -21.8774 -14.3136 TIMING: 1041600 CPU: 3355.26, 0.00322015/step Wall: 3355.26, 0.00322015/step, 3.54074 hours remaining, 232.507812 MB of memory in use. ENERGY: 1041600 3985.1034 20407.6144 14604.6266 249.6006 -202623.3518 1839.7151 0.0000 0.0000 52242.0660 -109294.6257 300.2359 -161536.6917 -108924.5346 299.7248 -335.4480 -306.3228 760598.9145 5.5586 5.5779 PRESSURE: 1041800 -139.217 -56.1944 -86.7666 -56.1932 -46.1606 -20.5857 -86.7665 -20.5855 -177.674 GPRESSURE: 1041800 -89.7611 -73.7409 -69.0271 -99.4223 -57.7395 -29.0238 -118.695 75.1536 -166.013 PRESSAVG: 1041800 -5.43057 -33.1357 -14.5768 -33.1358 13.4013 63.4231 -14.5768 63.4231 18.3684 GPRESSAVG: 1041800 -6.0652 -33.4113 -14.4932 -33.9561 14.8977 63.0987 -15.5715 63.2895 17.49 TIMING: 1041800 CPU: 3355.9, 0.00320738/step Wall: 3355.9, 0.00320738/step, 3.52652 hours remaining, 232.507812 MB of memory in use. ENERGY: 1041800 3964.0699 20658.6273 14551.1845 253.2128 -203473.4949 2433.1972 0.0000 0.0000 52090.2421 -109522.9611 299.3633 -161613.2033 -109163.9359 299.7493 -121.0171 -104.5046 759425.6872 8.7797 8.7742 PRESSURE: 1042000 -104.247 -24.5416 24.3458 -24.5418 196.884 -211.871 24.3457 -211.872 261.994 GPRESSURE: 1042000 -76.1415 -74.6021 85.4376 -95.7244 198.734 -117.897 184.752 -275.892 316.748 PRESSAVG: 1042000 -32.5795 -96.0456 5.29031 -96.0455 9.28647 -27.9017 5.29036 -27.9017 9.12381 GPRESSAVG: 1042000 -33.0942 -95.8993 5.46214 -93.582 7.08989 -27.0769 8.18703 -25.7439 11.7584 TIMING: 1042000 CPU: 3356.54, 0.00321718/step Wall: 3356.54, 0.00321718/step, 3.53711 hours remaining, 232.523438 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: 1042000 3905.0014 20427.8585 14578.8167 227.9580 -203215.1747 2406.6205 0.0000 0.0000 52150.0247 -109518.8949 299.7069 -161668.9197 -109144.4508 299.3730 118.2107 146.4469 760921.6715 -4.7231 -4.7486 PRESSURE: 1042200 -38.7856 -52.3437 -35.3955 -52.3444 -99.8094 -46.4551 -35.3952 -46.4565 -257.171 GPRESSURE: 1042200 -0.231262 -171.373 -67.7775 -101.763 -72.9754 -63.0196 -84.2923 5.34399 -220.742 PRESSAVG: 1042200 -10.004 -100.346 -44.7922 -100.346 37.0466 41.2093 -44.7922 41.2093 -24.7877 GPRESSAVG: 1042200 -10.2043 -101.234 -43.0835 -99.9228 38.4812 41.1904 -46.9872 39.7275 -25.8107 TIMING: 1042200 CPU: 3357.18, 0.00319929/step Wall: 3357.18, 0.00319929/step, 3.51727 hours remaining, 232.523438 MB of memory in use. ENERGY: 1042200 3960.0092 20326.4628 14572.5402 259.3587 -203249.0706 2423.0822 0.0000 0.0000 51948.1518 -109759.4656 298.5467 -161707.6174 -109392.3950 299.4667 -131.9219 -97.9830 762398.6438 0.7516 0.8221 PRESSURE: 1042400 -69.4823 -100.733 -255.33 -100.733 6.16697 -116.507 -255.329 -116.507 -178.477 GPRESSURE: 1042400 11.4271 -5.52837 -254.831 -56.4147 25.299 -68.9889 -246.743 -185.986 -194.507 PRESSAVG: 1042400 -34.4672 -46.2309 -30.2962 -46.2309 8.94942 59.6187 -30.2962 59.6187 -20.5202 GPRESSAVG: 1042400 -35.2615 -44.7148 -31.7156 -46.45 9.61723 60.0336 -31.1902 58.9972 -20.9175 TIMING: 1042400 CPU: 3357.82, 0.00317855/step Wall: 3357.82, 0.00317855/step, 3.49428 hours remaining, 232.523438 MB of memory in use. ENERGY: 1042400 4021.1176 20404.6899 14480.6820 235.0796 -203274.3246 2455.1475 0.0000 0.0000 51789.1717 -109888.4363 297.6331 -161677.6081 -109540.8955 298.5065 -80.5974 -52.5935 760988.9666 -15.3460 -15.5206 PRESSURE: 1042600 198.358 81.2576 15.7469 81.2573 -60.7052 -104.588 15.7463 -104.588 126.939 GPRESSURE: 1042600 169.32 238.585 45.2655 106.699 62.0406 -97.2998 -26.4407 -35.5112 137.223 PRESSAVG: 1042600 -24.5461 -28.099 -5.05706 -28.099 3.41606 33.4464 -5.05714 33.4465 -12.4035 GPRESSAVG: 1042600 -22.5734 -29.4972 -3.49049 -28.0181 3.11152 32.8112 -2.8923 35.3173 -13.4273 TIMING: 1042600 CPU: 3358.46, 0.00321494/step Wall: 3358.46, 0.00321494/step, 3.53411 hours remaining, 232.523438 MB of memory in use. ENERGY: 1042600 3932.3981 20455.6590 14501.5781 242.8877 -203380.2562 2534.1687 0.0000 0.0000 51694.4155 -110019.1492 297.0885 -161713.5647 -109657.9312 297.9856 88.1971 122.8613 761602.1327 -11.1778 -10.9631 PRESSURE: 1042800 279.109 13.3529 -94.7842 13.3534 22.8708 169.98 -94.7836 169.979 312.404 GPRESSURE: 1042800 363.124 -38.5288 -136.279 4.97065 -21.6598 134.441 -14.9207 142.785 333.488 PRESSAVG: 1042800 -11.8489 -31.8611 -42.3219 -31.8611 23.547 9.19361 -42.3219 9.1936 11.5029 GPRESSAVG: 1042800 -12.5579 -31.1628 -43.9627 -32.0706 22.3074 10.3375 -43.957 9.45668 12.985 TIMING: 1042800 CPU: 3359.1, 0.00320788/step Wall: 3359.1, 0.00320788/step, 3.52617 hours remaining, 232.523438 MB of memory in use. ENERGY: 1042800 3941.9239 20360.3448 14511.6480 265.3743 -203829.1737 2732.1757 0.0000 0.0000 51804.3206 -110213.3865 297.7201 -162017.7070 -109853.4610 298.1909 204.7944 224.9844 760155.8291 7.7337 7.5782 PRESSURE: 1043000 -82.4802 130.47 -258.079 130.469 -125.952 195.004 -258.079 195.004 42.1618 GPRESSURE: 1043000 -100.373 80.8159 -216.22 73.9442 -19.697 174.662 -203.967 121.321 26.7234 PRESSAVG: 1043000 -0.32164 -49.4575 -43.2092 -49.4576 13.7899 65.4064 -43.2092 65.4064 6.39674 GPRESSAVG: 1043000 -1.17077 -49.8537 -42.1689 -49.154 15.2528 63.462 -40.5212 64.0791 5.7148 TIMING: 1043000 CPU: 3359.74, 0.00318235/step Wall: 3359.74, 0.00318235/step, 3.49793 hours remaining, 232.523438 MB of memory in use. ENERGY: 1043000 3900.9248 20267.6243 14487.1760 269.9586 -204004.3589 2843.4012 0.0000 0.0000 51873.3135 -110361.9604 298.1166 -162235.2739 -110009.0509 297.9122 -55.4233 -31.1156 759910.0715 6.6217 6.5989 PRESSURE: 1043200 -248.494 -88.848 114.446 -88.8485 91.5007 -48.406 114.446 -48.4051 -121.685 GPRESSURE: 1043200 -155.829 -40.6811 66.6098 -124.913 123.932 -16.5939 223.924 -99.2822 -172.649 PRESSAVG: 1043200 -33.9682 -61.8723 25.0007 -61.8723 48.5091 -1.22914 25.0007 -1.22904 -14.0903 GPRESSAVG: 1043200 -34.3331 -60.3409 24.2889 -63.0598 48.8601 -0.595198 23.5465 -0.34712 -14.9496 TIMING: 1043200 CPU: 3360.38, 0.00320115/step Wall: 3360.38, 0.00320115/step, 3.51842 hours remaining, 232.523438 MB of memory in use. ENERGY: 1043200 3979.8314 20207.9714 14544.5340 243.0839 -203681.3165 2456.1754 0.0000 0.0000 51987.5491 -110262.1713 298.7732 -162249.7204 -109902.0950 297.9719 -92.8927 -68.1817 760479.7939 0.1502 -0.1409 PRESSURE: 1043400 -137.924 99.5956 114.362 99.5953 87.8107 32.058 114.361 32.0582 -501.962 GPRESSURE: 1043400 -15.1014 54.4408 124.295 24.0763 -34.0794 121.533 -147.624 40.9192 -420.924 PRESSAVG: 1043400 7.56058 -43.2728 54.6718 -43.2728 -4.8721 22.2567 54.6718 22.2567 4.86305 GPRESSAVG: 1043400 9.09333 -46.3019 52.577 -41.5652 -6.80393 20.3714 54.3411 23.5462 5.68344 TIMING: 1043400 CPU: 3361.02, 0.00319511/step Wall: 3361.02, 0.00319511/step, 3.5116 hours remaining, 232.523438 MB of memory in use. ENERGY: 1043400 4042.1216 20387.3200 14598.6309 246.7359 -203693.8338 2472.9421 0.0000 0.0000 51912.0037 -110034.0796 298.3390 -161946.0833 -109669.3762 298.2384 -184.0251 -156.7016 758984.5393 2.5172 2.6576 PRESSURE: 1043600 34.0967 -65.8562 -23.473 -65.8547 -161.282 67.8867 -23.4733 67.8865 96.3656 GPRESSURE: 1043600 -13.2038 -40.4875 4.43997 -39.0737 -59.4648 63.8432 116.057 170.856 110.157 PRESSAVG: 1043600 -28.5256 -38.9603 -27.3734 -38.9602 34.8539 60.608 -27.3733 60.608 39.126 GPRESSAVG: 1043600 -28.62 -38.2949 -25.6813 -38.6567 35.4765 63.6763 -26.1162 57.0047 38.75 TIMING: 1043600 CPU: 3361.66, 0.00318688/step Wall: 3361.66, 0.00318688/step, 3.50238 hours remaining, 232.523438 MB of memory in use. ENERGY: 1043600 3951.9364 20416.1232 14492.5389 251.3697 -203718.4249 2449.8430 0.0000 0.0000 52160.7896 -109995.8239 299.7688 -162156.6135 -109634.8323 299.0046 -10.2733 12.4963 759952.5216 15.1514 15.2022 PRESSURE: 1043800 -93.4174 -199.008 90.7273 -199.008 -185.392 148.649 90.7272 148.649 189.344 GPRESSURE: 1043800 -138.049 -118.785 77.1684 -61.5685 -107.467 58.6812 155.033 327.346 232.664 PRESSAVG: 1043800 6.43847 -63.8369 33.7462 -63.837 38.521 42.0471 33.7462 42.0472 2.3912 GPRESSAVG: 1043800 5.12633 -61.9203 33.2328 -65.1386 38.8712 41.4996 33.275 43.0725 3.01763 TIMING: 1043800 CPU: 3362.3, 0.00320111/step Wall: 3362.3, 0.00320111/step, 3.51785 hours remaining, 232.523438 MB of memory in use. ENERGY: 1043800 3971.0622 20597.3943 14622.4816 239.3478 -203745.8118 2660.2801 0.0000 0.0000 52112.6627 -109542.5831 299.4922 -161655.2458 -109183.2848 299.0482 -29.8216 -4.2840 761206.2206 15.7835 15.6717 PRESSURE: 1044000 56.0865 -137.102 -39.4981 -137.102 -374.525 -164.765 -39.4984 -164.767 291.123 GPRESSURE: 1044000 23.3203 -64.8907 -75.1031 -146.966 -218.916 -147.465 -19.9071 -161.697 259.896 PRESSAVG: 1044000 -27.5391 -68.5988 6.25792 -68.5988 27.6123 40.5667 6.25792 40.5667 -21.7824 GPRESSAVG: 1044000 -26.7412 -69.3655 6.50613 -67.6081 27.9743 39.1265 5.46217 43.5195 -22.5622 TIMING: 1044000 CPU: 3362.94, 0.0032161/step Wall: 3362.94, 0.0032161/step, 3.53414 hours remaining, 232.523438 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: 1044000 4019.7732 20491.7256 14569.6857 236.7026 -203319.1259 2466.4696 0.0000 0.0000 52121.1651 -109413.6041 299.5411 -161534.7693 -109053.8423 299.5453 -9.1053 21.4334 760429.2359 -7.2364 -7.1097 PRESSURE: 1044200 194.173 -256.511 -58.6723 -256.511 237.224 -4.90046 -58.6726 -4.89982 -130.107 GPRESSURE: 1044200 200.803 -274.742 -80.5712 -323.76 224.148 -2.7683 -103.306 -36.7938 -40.4711 PRESSAVG: 1044200 -31.8235 -81.1338 -98.4754 -81.1338 60.63 36.0831 -98.4755 36.0832 12.9194 GPRESSAVG: 1044200 -31.0836 -79.5738 -97.2346 -81.1652 60.7633 38.1017 -98.8532 33.4396 12.4444 TIMING: 1044200 CPU: 3363.58, 0.00318233/step Wall: 3363.58, 0.00318233/step, 3.49685 hours remaining, 232.523438 MB of memory in use. ENERGY: 1044200 3941.1375 20491.9647 14475.4655 255.8671 -203151.2857 2470.9491 0.0000 0.0000 52041.9491 -109473.9526 299.0858 -161515.9017 -109112.0575 299.8382 100.4299 128.1599 759805.0415 13.9087 14.0414 LDB: ============= START OF LOAD BALANCING ============== 3376 LDB: ============== END OF LOAD BALANCING =============== 3376 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3376 LDB: ============= START OF LOAD BALANCING ============== 3376.32 LDB: Largest compute 7070 load 0.034274 is 17.5% of average load 0.195499 LDB: Average compute 0.004420 is 2.3% of average load 0.195499 LDB: TIME 3376.32 LOAD: AVG 0.195499 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.172 MB LDB: TIME 3376.32 LOAD: AVG 0.195499 MAX 0.217868 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.207 MB LDB: TIME 3376.32 LOAD: AVG 0.195499 MAX 0.217868 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.207 MB LDB: ============== END OF LOAD BALANCING =============== 3376.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3376.33 PRESSURE: 1044400 -428.438 -114.414 157.129 -114.414 25.0388 -67.6344 157.129 -67.6336 151.648 GPRESSURE: 1044400 -386.686 -223.558 158.053 -166.806 100.689 -92.3157 64.6659 -8.19117 111.861 PRESSAVG: 1044400 -77.9661 -81.4284 -28.8237 -81.4284 47.3291 19.8737 -28.8237 19.8737 8.71677 GPRESSAVG: 1044400 -78.3093 -82.7978 -29.9996 -83.0372 46.8965 18.8911 -28.3761 20.5735 9.23084 TIMING: 1044400 CPU: 3364.23, 0.00324161/step Wall: 3364.23, 0.00324161/step, 3.56181 hours remaining, 232.207031 MB of memory in use. ENERGY: 1044400 3897.7941 20507.0178 14467.6025 246.1605 -203008.0522 2282.9548 0.0000 0.0000 52159.0426 -109447.4799 299.7587 -161606.5225 -109082.6802 299.5271 -83.9172 -58.0454 760561.9477 -7.3067 -7.3940 PRESSURE: 1044600 17.5252 -253.316 -150.188 -253.317 4.30497 286.993 -150.187 286.993 -78.9277 GPRESSURE: 1044600 -12.9128 -199.265 -142.99 -305.142 79.2293 411.789 -169.862 107.452 -52.4335 PRESSAVG: 1044600 -31.2497 -148.195 -6.51486 -148.195 12.4984 -6.82898 -6.51488 -6.82903 10.3803 GPRESSAVG: 1044600 -31.9797 -148.594 -6.50956 -146.677 12.7209 -5.28651 -7.22986 -7.95039 10.9267 TIMING: 1044600 CPU: 3364.86, 0.00318875/step Wall: 3364.86, 0.00318875/step, 3.50355 hours remaining, 232.445312 MB of memory in use. ENERGY: 1044600 3951.1222 20625.3312 14488.6335 226.0664 -203169.5341 2479.8743 0.0000 0.0000 52032.6384 -109365.8680 299.0323 -161398.5064 -108998.3245 299.2087 -19.0325 4.6277 761018.1223 -2.7903 -2.7774 PRESSURE: 1044800 44.6194 126.962 -210.436 126.962 34.652 -102.075 -210.436 -102.075 -293.795 GPRESSURE: 1044800 -4.44414 95.8741 -193.336 70.4778 83.9458 -79.6946 -230.766 -96.565 -227.487 PRESSAVG: 1044800 3.22983 -89.0988 -57.8657 -89.0988 -20.792 8.65075 -57.8657 8.65079 25.5016 GPRESSAVG: 1044800 3.53777 -88.3627 -57.4501 -89.9419 -20.3598 7.78944 -58.0135 12.1975 24.8494 TIMING: 1044800 CPU: 3365.5, 0.00318076/step Wall: 3365.5, 0.00318076/step, 3.49459 hours remaining, 232.445312 MB of memory in use. ENERGY: 1044800 3949.5563 20508.9715 14528.2507 252.6986 -203190.5694 2584.2236 0.0000 0.0000 52063.7018 -109303.1669 299.2108 -161366.8687 -108949.4043 298.8696 -71.5079 -49.3283 761373.1853 2.6465 2.6758 PRESSURE: 1045000 -249.689 49.9537 15.2007 49.9543 -452.903 84.4309 15.2001 84.4314 -24.8355 GPRESSURE: 1045000 -204.289 -67.7914 28.3589 -18.0264 -406.913 174.302 151.709 64.7342 -35.1626 PRESSAVG: 1045000 -2.00919 -102.308 -32.6285 -102.308 22.3686 58.308 -32.6285 58.308 -22.0122 GPRESSAVG: 1045000 -1.34526 -101.365 -31.753 -102.658 22.6544 59.0425 -32.2482 54.6073 -22.7222 TIMING: 1045000 CPU: 3366.13, 0.00316781/step Wall: 3366.13, 0.00316781/step, 3.48019 hours remaining, 232.445312 MB of memory in use. ENERGY: 1045000 4023.1076 20517.2790 14491.9784 237.5342 -203446.7009 2553.6679 0.0000 0.0000 52025.5784 -109597.5555 298.9917 -161623.1339 -109238.7972 299.2468 -242.4758 -215.4548 759875.5439 -0.5509 -0.4710 PRESSURE: 1045200 -272.711 -176.416 -63.5761 -176.417 -186.922 -44.2539 -63.578 -44.2528 -273.621 GPRESSURE: 1045200 -217.878 -127.71 -49.8654 -192.983 -182.758 -98.6089 -92.3729 42.1182 -238.363 PRESSAVG: 1045200 -26.9017 -64.3988 14.4849 -64.3987 -3.2482 -49.1686 14.4849 -49.1686 -7.84615 GPRESSAVG: 1045200 -26.1122 -65.3365 12.2355 -64.9228 -5.42207 -51.5081 15.8314 -48.6864 -6.41806 TIMING: 1045200 CPU: 3366.77, 0.00316574/step Wall: 3366.77, 0.00316574/step, 3.47774 hours remaining, 232.445312 MB of memory in use. ENERGY: 1045200 4033.1599 20496.8594 14499.2048 241.1117 -203416.0884 2351.3561 0.0000 0.0000 52191.1898 -109603.2068 299.9435 -161794.3966 -109235.8397 299.4096 -244.4182 -212.9995 759312.9167 -12.6653 -12.6508 PRESSURE: 1045400 49.9707 -179.557 -185.114 -179.557 -68.0651 15.2147 -185.113 15.2162 235.54 GPRESSURE: 1045400 28.3293 -244.856 -87.5681 -68.9058 73.5409 90.6749 -326.822 -63.4613 203.457 PRESSAVG: 1045400 -56.2009 -77.1313 43.1956 -77.1313 39.5589 -52.5468 43.1956 -52.5469 13.5958 GPRESSAVG: 1045400 -57.5943 -77.9404 45.3957 -75.1137 41.9771 -51.8068 42.1867 -52.5166 12.6746 TIMING: 1045400 CPU: 3367.4, 0.00319299/step Wall: 3367.4, 0.00319299/step, 3.50749 hours remaining, 232.445312 MB of memory in use. ENERGY: 1045400 3954.2805 20570.3943 14578.8636 246.7979 -203450.2153 2455.5533 0.0000 0.0000 52241.7344 -109402.5912 300.2340 -161644.3256 -109041.4330 299.7034 72.4820 101.7756 758020.6593 -1.0154 -0.9808 PRESSURE: 1045600 -68.3331 -64.2246 7.63967 -64.2235 54.3832 -102.597 7.6404 -102.597 -94.7564 GPRESSURE: 1045600 -86.1189 -139.891 105.965 33.5601 101.403 -26.667 -31.2886 -96.97 -35.9014 PRESSAVG: 1045600 -52.9572 -48.8127 6.49501 -48.8126 109.767 -17.7508 6.495 -17.7509 3.1783 GPRESSAVG: 1045600 -53.3959 -48.9046 6.11729 -49.7946 108.867 -18.1586 6.80078 -17.623 4.21053 TIMING: 1045600 CPU: 3368.04, 0.00317081/step Wall: 3368.04, 0.00317081/step, 3.48296 hours remaining, 232.738281 MB of memory in use. ENERGY: 1045600 3979.7510 20483.7461 14626.4307 252.5840 -202973.3764 2313.7250 0.0000 0.0000 52023.8724 -109293.2672 298.9819 -161317.1396 -108935.3588 300.0523 -36.2354 -6.8724 761387.0377 19.9959 19.8940 PRESSURE: 1045800 42.1451 -245.453 5.31634 -245.453 -359.718 225.108 5.31616 225.108 -201.748 GPRESSURE: 1045800 18.7145 -345.383 -14.7954 -108.666 -213.828 121.511 85.7017 250.013 -252.203 PRESSAVG: 1045800 -76.9259 -107.064 13.086 -107.064 34.7578 -26.474 13.086 -26.474 -42.8675 GPRESSAVG: 1045800 -77.9038 -106.158 13.1852 -106.765 35.0737 -24.5424 11.7074 -27.514 -42.4198 TIMING: 1045800 CPU: 3368.67, 0.00317962/step Wall: 3368.67, 0.00317962/step, 3.49245 hours remaining, 232.738281 MB of memory in use. ENERGY: 1045800 4007.4724 20496.1540 14527.8431 242.1151 -202979.6084 2242.7536 0.0000 0.0000 52265.8114 -109197.4588 300.3723 -161463.2702 -108830.1026 300.5982 -173.1069 -149.1054 759804.1312 -28.3452 -28.4166 PRESSURE: 1046000 -84.6143 -22.6044 -57.2232 -22.6033 -32.0392 191.336 -57.2231 191.336 -218.935 GPRESSURE: 1046000 -15.7979 15.0632 -94.1792 28.4055 -17.7597 226.85 112.26 96.4076 -226.792 PRESSAVG: 1046000 34.626 -71.8106 25.7239 -71.8106 20.6365 47.7621 25.7239 47.762 -16.4756 GPRESSAVG: 1046000 35.6201 -70.4423 25.0191 -71.5027 19.2441 48.1763 27.3355 48.1202 -16.1298 TIMING: 1046000 CPU: 3369.31, 0.00316417/step Wall: 3369.31, 0.00316417/step, 3.47532 hours remaining, 232.738281 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: 1046000 3991.0266 20602.6294 14500.2247 244.0400 -203455.2915 2436.5958 0.0000 0.0000 52242.3043 -109438.4708 300.2372 -161680.7750 -109070.5946 299.9967 -111.8629 -86.7832 759967.3409 12.9290 12.9114 PRESSURE: 1046200 43.0809 -216.979 132.566 -216.979 -263.496 22.0751 132.566 22.0745 222.296 GPRESSURE: 1046200 57.4534 -147.568 175.213 -95.1908 -185.62 79.1694 192.175 62.6137 219.666 PRESSAVG: 1046200 -22.8654 -33.9421 66.9472 -33.9422 5.92343 -20.7479 66.9471 -20.7479 8.79674 GPRESSAVG: 1046200 -21.7774 -33.9729 66.2183 -35.0044 5.44051 -23.7532 65.1622 -19.9375 8.71337 TIMING: 1046200 CPU: 3369.95, 0.00319675/step Wall: 3369.95, 0.00319675/step, 3.51092 hours remaining, 232.738281 MB of memory in use. ENERGY: 1046200 3972.8088 20584.2813 14436.9195 242.0534 -203334.5092 2502.7195 0.0000 0.0000 52294.5125 -109301.2141 300.5373 -161595.7267 -108933.6650 299.8917 0.6270 30.4997 760588.1539 -2.7151 -2.5412 PRESSURE: 1046400 72.29 91.4472 288.969 91.4468 -134.026 -149.719 288.969 -149.718 9.69326 GPRESSURE: 1046400 69.7326 35.9817 255.786 126.685 -65.1684 -174.397 305.208 -206.525 46.403 PRESSAVG: 1046400 -42.3239 -50.8498 19.9634 -50.8498 27.8727 -9.51361 19.9634 -9.51361 -0.454414 GPRESSAVG: 1046400 -43.2629 -52.0481 19.6137 -51.8635 28.2025 -9.53342 21.0085 -11.0811 -0.711204 TIMING: 1046400 CPU: 3370.59, 0.00319179/step Wall: 3370.59, 0.00319179/step, 3.5053 hours remaining, 232.738281 MB of memory in use. ENERGY: 1046400 3966.4680 20561.0774 14514.8489 250.4658 -203613.3446 2539.5938 0.0000 0.0000 52260.6316 -109520.2591 300.3426 -161780.8907 -109161.0503 300.1488 -17.3477 16.9891 757753.5915 -4.9685 -5.2572 PRESSURE: 1046600 273.767 -214.422 59.1757 -214.422 111.526 -20.6552 59.175 -20.6555 4.24176 GPRESSURE: 1046600 236.14 -241.084 118.992 -97.5171 148.904 86.7147 -77.7968 -77.7663 81.2713 PRESSAVG: 1046600 -23.9878 -33.5048 3.72128 -33.5048 47.3437 8.57177 3.72133 8.57174 11.1998 GPRESSAVG: 1046600 -23.6666 -34.0575 4.40682 -31.7216 47.1727 9.41191 3.86062 9.26507 11.3594 TIMING: 1046600 CPU: 3371.22, 0.00317909/step Wall: 3371.22, 0.00317909/step, 3.49117 hours remaining, 232.738281 MB of memory in use. ENERGY: 1046600 3884.4670 20562.3160 14511.0961 249.5245 -203102.7085 2286.6139 0.0000 0.0000 52133.3075 -109475.3835 299.6108 -161608.6910 -109114.2961 299.8839 129.8448 155.4387 760044.5800 11.5186 11.6218 PRESSURE: 1046800 64.2422 175.588 -156.885 175.588 195.75 1.4509 -156.884 1.45022 -133.697 GPRESSURE: 1046800 157.008 226.866 -73.2983 209.328 230.676 21.0896 17.6539 -190.685 -190.097 PRESSAVG: 1046800 -40.4259 -47.0001 -7.82509 -47 35.4149 -4.31292 -7.82509 -4.313 5.76173 GPRESSAVG: 1046800 -39.6773 -46.804 -7.85358 -47.0642 36.382 -4.79556 -7.95 -3.97841 4.58663 TIMING: 1046800 CPU: 3371.86, 0.00317735/step Wall: 3371.86, 0.00317735/step, 3.48908 hours remaining, 232.738281 MB of memory in use. ENERGY: 1046800 3967.7420 20421.6689 14458.7726 240.8696 -203122.4419 2289.3174 0.0000 0.0000 52006.7389 -109737.3324 298.8834 -161744.0713 -109366.5084 299.1256 42.0983 65.8624 761266.4152 0.2502 0.4305 PRESSURE: 1047000 -66.2695 108.259 -176.937 108.258 -97.9153 -5.88068 -176.936 -5.88018 -56.4025 GPRESSURE: 1047000 -47.016 15.1125 -154.01 99.1785 -63.068 105.208 -108.158 -169.744 -31.768 PRESSAVG: 1047000 -94.5658 -32.7849 4.12127 -32.7849 86.8466 32.6886 4.12131 32.6885 16.5229 GPRESSAVG: 1047000 -93.275 -33.3973 3.87799 -32.7887 86.1491 33.5413 5.82834 31.8892 16.7699 TIMING: 1047000 CPU: 3372.49, 0.0031659/step Wall: 3372.49, 0.0031659/step, 3.47634 hours remaining, 232.738281 MB of memory in use. ENERGY: 1047000 3968.8758 20612.6794 14554.2336 251.1986 -203216.3078 2340.8855 0.0000 0.0000 51714.3004 -109774.1345 297.2028 -161488.4349 -109407.9092 298.7135 -73.5291 -47.2840 762661.0459 2.9346 3.2147 PRESSURE: 1047200 -73.9427 -101.361 -115.409 -101.362 302.279 -80.875 -115.409 -80.876 35.768 GPRESSURE: 1047200 -51.9127 -112.544 -121.38 -100.924 386.512 -157.277 -179.657 -114.829 -24.9275 PRESSAVG: 1047200 -52.3346 -56.8588 -11.204 -56.8588 68.6962 -34.3495 -11.204 -34.3495 -19.0205 GPRESSAVG: 1047200 -54.0014 -57.2499 -11.174 -56.6333 70.1816 -35.253 -13.2932 -33.4269 -19.0044 TIMING: 1047200 CPU: 3373.12, 0.00317156/step Wall: 3373.12, 0.00317156/step, 3.48237 hours remaining, 232.738281 MB of memory in use. ENERGY: 1047200 4006.1717 20509.9868 14502.5895 246.5081 -203542.2930 2659.6498 0.0000 0.0000 51828.7947 -109788.5924 297.8608 -161617.3872 -109433.7272 298.8250 88.0348 103.2238 760291.2726 -0.8863 -0.9414 PRESSURE: 1047400 -80.4413 -94.8897 99.7119 -94.8892 -167.216 60.646 99.7124 60.6468 -404.835 GPRESSURE: 1047400 -35.5954 -35.2287 84.3597 15.0513 -115.857 16.9539 170.619 119.592 -402.777 PRESSAVG: 1047400 -17.5444 -30.8668 10.8246 -30.8668 31.6497 3.766 10.8246 3.76601 -17.3298 GPRESSAVG: 1047400 -18.3021 -29.4056 11.523 -31.0074 30.6725 4.47043 11.4956 6.33545 -16.1251 TIMING: 1047400 CPU: 3373.76, 0.00318137/step Wall: 3373.76, 0.00318137/step, 3.49297 hours remaining, 232.738281 MB of memory in use. ENERGY: 1047400 4045.6640 20370.3620 14542.4866 260.8062 -203325.2239 2419.6833 0.0000 0.0000 51901.1728 -109785.0491 298.2768 -161686.2219 -109412.5331 298.8152 -217.4973 -184.7431 761832.2786 -1.0748 -1.2516 PRESSURE: 1047600 81.4241 72.3796 -18.4899 72.3801 -29.3499 26.9151 -18.4893 26.9146 -233.901 GPRESSURE: 1047600 124.386 92.0716 -58.3366 53.191 -15.7181 -26.2127 -123.705 -45.9611 -187.801 PRESSAVG: 1047600 -14.6917 -23.886 42.3589 -23.886 52.6138 -18.2928 42.3589 -18.2929 -5.08711 GPRESSAVG: 1047600 -13.9767 -24.288 40.9764 -22.5507 52.3592 -17.3731 42.0577 -22.8272 -5.42503 TIMING: 1047600 CPU: 3374.39, 0.00315782/step Wall: 3374.39, 0.00315782/step, 3.46693 hours remaining, 232.738281 MB of memory in use. ENERGY: 1047600 4105.5317 20480.1622 14470.2522 255.6453 -203549.8998 2695.7782 0.0000 0.0000 51859.7571 -109682.7730 298.0387 -161542.5302 -109321.5613 298.9108 -60.6088 -26.3776 759351.3388 10.9450 10.9858 PRESSURE: 1047800 -212.955 245.372 12.8769 245.372 -528.435 -14.4048 12.8764 -14.4049 -374.146 GPRESSURE: 1047800 -228.805 141.315 -43.8408 215.069 -460.368 15.365 73.3866 23.3625 -338.156 PRESSAVG: 1047800 -37.8691 47.3542 8.06517 47.3542 18.2721 42.5696 8.06517 42.5695 11.2909 GPRESSAVG: 1047800 -38.734 47.2579 8.20572 45.478 18.1646 41.7106 6.04534 45.2621 11.8494 TIMING: 1047800 CPU: 3375.02, 0.00315118/step Wall: 3375.02, 0.00315118/step, 3.45947 hours remaining, 232.738281 MB of memory in use. ENERGY: 1047800 3986.1639 20713.1243 14457.8382 253.6828 -202893.6727 2088.8969 0.0000 0.0000 51726.2033 -109667.7633 297.2712 -161393.9665 -109310.4433 298.4261 -371.8455 -342.4428 761005.0038 -2.7687 -2.9067 PRESSURE: 1048000 -216.372 -2.79437 -197.782 -2.7946 205.961 -4.66471 -197.781 -4.66462 -64.698 GPRESSURE: 1048000 -179.522 38.9021 -69.0701 15.4949 137.279 30.0922 -258.038 71.2291 39.131 PRESSAVG: 1048000 -0.840392 14.9029 -48.1418 14.9029 24.1441 -12.3453 -48.1418 -12.3453 19.2169 GPRESSAVG: 1048000 -0.783778 14.7763 -47.8642 15.1905 25.1713 -13.0379 -46.7078 -10.2903 18.4156 TIMING: 1048000 CPU: 3375.65, 0.00313378/step Wall: 3375.65, 0.00313378/step, 3.4402 hours remaining, 232.738281 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: 1048000 4074.4528 20559.9717 14515.7489 243.8793 -203495.7557 2344.3815 0.0000 0.0000 52206.3265 -109550.9949 300.0305 -161757.3214 -109190.1138 299.2824 -25.0363 -1.0372 759060.9989 14.1735 14.2677 PRESSURE: 1048200 -527.917 -130.907 -168.823 -130.908 -245.504 -179.923 -168.823 -179.923 31.9373 GPRESSURE: 1048200 -437.286 -85.519 -159.12 -73.5397 -251.269 -181.122 -156.832 -96.7205 25.7688 PRESSAVG: 1048200 -19.6611 -38.634 -28.8486 -38.634 11.2188 18.0021 -28.8486 18.0021 4.36577 GPRESSAVG: 1048200 -18.9645 -37.3739 -27.0149 -38.0685 10.8926 18.9396 -30.2056 15.8855 3.19696 TIMING: 1048200 CPU: 3376.28, 0.00318012/step Wall: 3376.28, 0.00318012/step, 3.49088 hours remaining, 232.738281 MB of memory in use. ENERGY: 1048200 3970.5780 20442.9169 14432.9981 242.0867 -202989.5261 2167.9253 0.0000 0.0000 52291.2269 -109441.7943 300.5184 -161733.0211 -109079.7762 299.6769 -247.1611 -220.9286 759297.7522 -1.3588 -1.6250 LDB: ============= START OF LOAD BALANCING ============== 3388.71 LDB: ============== END OF LOAD BALANCING =============== 3388.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3388.71 LDB: ============= START OF LOAD BALANCING ============== 3389.03 LDB: Largest compute 7075 load 0.034552 is 17.7% of average load 0.195583 LDB: Average compute 0.004416 is 2.3% of average load 0.195583 LDB: TIME 3389.03 LOAD: AVG 0.195583 MAX 0.220347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.863 MB LDB: TIME 3389.03 LOAD: AVG 0.195583 MAX 0.220347 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.863 MB LDB: TIME 3389.03 LOAD: AVG 0.195583 MAX 0.217036 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.863 MB LDB: ============== END OF LOAD BALANCING =============== 3389.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3389.04 PRESSURE: 1048400 46.2897 -118.404 36.2922 -118.405 212.07 -79.2105 36.2921 -79.2095 330.595 GPRESSURE: 1048400 115.674 -26.837 117.713 -134.134 228.46 -58.7276 38.8821 -68.0541 338.609 PRESSAVG: 1048400 -60.3707 -80.845 -52.2849 -80.8451 -10.9352 78.8734 -52.2849 78.8734 -32.2761 GPRESSAVG: 1048400 -60.5307 -82.818 -52.9286 -80.95 -11.1172 78.9514 -49.6187 79.1522 -31.2746 TIMING: 1048400 CPU: 3376.93, 0.00324627/step Wall: 3376.93, 0.00324627/step, 3.56332 hours remaining, 231.078125 MB of memory in use. ENERGY: 1048400 4011.3863 20561.2283 14492.5902 257.9530 -203650.0451 2699.3066 0.0000 0.0000 52261.5615 -109366.0192 300.3479 -161627.5807 -109005.1544 299.9497 196.3185 227.5812 759062.5331 -34.5273 -34.3075 PRESSURE: 1048600 60.701 -8.17506 -78.1316 -8.17548 -14.7803 133.937 -78.1326 133.937 126.202 GPRESSURE: 1048600 134.814 -65.5244 -93.47 58.5668 36.4684 129.534 -123.705 79.194 95.5895 PRESSAVG: 1048600 4.69007 -64.6807 4.0276 -64.6807 48.5742 46.1228 4.02765 46.1228 12.633 GPRESSAVG: 1048600 4.98685 -64.69 2.41135 -64.8148 48.7114 46.109 5.32118 46.6594 12.3085 TIMING: 1048600 CPU: 3377.57, 0.00317044/step Wall: 3377.57, 0.00317044/step, 3.47991 hours remaining, 231.132812 MB of memory in use. ENERGY: 1048600 4022.2564 20631.0459 14476.1340 261.0117 -203429.0773 2586.5218 0.0000 0.0000 52068.9031 -109383.2045 299.2407 -161452.1076 -109024.9151 299.9733 57.3744 88.9574 762468.6366 21.9658 22.0023 PRESSURE: 1048800 -123.266 104.363 119.487 104.363 -179.532 -103.808 119.488 -103.808 173.242 GPRESSURE: 1048800 -123.846 146.394 108.947 142.659 -118.609 -49.0658 130.311 -217.83 199.456 PRESSAVG: 1048800 -28.5117 -56.104 4.044 -56.1041 22.6704 19.7652 4.044 19.7653 -4.60915 GPRESSAVG: 1048800 -29.5875 -55.8059 5.37067 -55.896 24.0699 18.8748 1.28268 18.7391 -4.54367 TIMING: 1048800 CPU: 3378.2, 0.00318332/step Wall: 3378.2, 0.00318332/step, 3.49387 hours remaining, 231.132812 MB of memory in use. ENERGY: 1048800 4010.7301 20546.1586 14503.8314 256.2222 -203080.3110 2371.0618 0.0000 0.0000 52090.9083 -109301.3985 299.3672 -161392.3069 -108952.9191 299.2471 -43.1854 -14.3330 762764.8684 -3.4835 -3.3537 PRESSURE: 1049000 -120.736 209.533 -94.6445 209.533 -245.303 -52.1731 -94.6453 -52.1729 180.871 GPRESSURE: 1049000 -139.071 175.264 -75.8494 196.271 -153.039 -121.689 -56.0412 116.404 212.881 PRESSAVG: 1049000 25.1907 -31.276 17.5579 -31.2761 -29.9677 20.2977 17.5579 20.2977 -30.389 GPRESSAVG: 1049000 25.2032 -30.6782 15.5792 -31.5052 -30.0174 20.8228 19.9853 20.7083 -30.2896 TIMING: 1049000 CPU: 3378.84, 0.00319339/step Wall: 3378.84, 0.00319339/step, 3.50474 hours remaining, 231.132812 MB of memory in use. ENERGY: 1049000 4022.5661 20511.6396 14503.7141 224.7616 -202955.0161 2348.1919 0.0000 0.0000 51980.3401 -109363.8027 298.7317 -161344.1428 -109000.3936 299.5452 -61.7227 -26.4095 761761.7742 -11.7220 -11.7012 PRESSURE: 1049200 -245.598 -124.452 124.397 -124.452 -99.711 84.7421 124.396 84.7423 -444.287 GPRESSURE: 1049200 -162.547 -159.419 244.255 -65.6526 -120.996 99.6089 66.7515 -138.664 -414.507 PRESSAVG: 1049200 10.5923 -100.656 33.0714 -100.656 22.2593 56.1228 33.0713 56.1227 -10.9588 GPRESSAVG: 1049200 10.4087 -103.043 34.4942 -100.856 22.2645 55.0302 31.7921 56.5641 -11.0233 TIMING: 1049200 CPU: 3379.48, 0.00319214/step Wall: 3379.48, 0.00319214/step, 3.50319 hours remaining, 231.132812 MB of memory in use. ENERGY: 1049200 4059.6285 20471.8124 14522.7464 258.0980 -202925.6347 2371.4119 0.0000 0.0000 51878.7351 -109363.2022 298.1478 -161241.9374 -109008.9217 299.5482 -263.1988 -232.6831 762353.6411 7.2976 7.2166 PRESSURE: 1049400 -11.6114 -105 -139.141 -105.001 295.578 119.74 -139.141 119.74 408.622 GPRESSURE: 1049400 116.657 20.8171 -111.338 -85.3627 266.542 135.658 -5.6848 165.262 387.021 PRESSAVG: 1049400 16.5013 -34.122 48.9068 -34.1219 12.4383 69.9304 48.9067 69.9303 5.03218 GPRESSAVG: 1049400 16.1307 -30.0424 50.7283 -35.5185 11.6561 71.0916 48.7864 68.5289 5.7184 TIMING: 1049400 CPU: 3380.12, 0.00317328/step Wall: 3380.12, 0.00317328/step, 3.48232 hours remaining, 231.132812 MB of memory in use. ENERGY: 1049400 3945.7827 20443.4731 14471.1950 253.8300 -203165.9302 2437.4468 0.0000 0.0000 52062.1197 -109552.0830 299.2017 -161614.2026 -109186.4323 299.1544 230.8629 256.7402 761893.1609 11.3239 11.1684 PRESSURE: 1049600 -37.9327 108.859 6.18891 108.858 404.239 -46.6891 6.18875 -46.6896 305.369 GPRESSURE: 1049600 72.706 9.52329 -37.9262 130.158 395.996 -86.4232 -44.3103 -174.144 292.645 PRESSAVG: 1049600 -14.6459 -49.388 -37.9424 -49.3881 33.7802 20.1013 -37.9424 20.1014 -8.63123 GPRESSAVG: 1049600 -14.6543 -52.7766 -39.3048 -45.32 34.9387 19.7848 -36.7798 19.4516 -9.28703 TIMING: 1049600 CPU: 3380.75, 0.00318658/step Wall: 3380.75, 0.00318658/step, 3.49674 hours remaining, 231.132812 MB of memory in use. ENERGY: 1049600 3895.7366 20339.4384 14545.1329 277.0101 -203089.7672 2305.1263 0.0000 0.0000 52184.7575 -109542.5654 299.9065 -161727.3229 -109173.5346 299.0353 223.8919 253.7824 759944.1544 3.5010 3.6658 PRESSURE: 1049800 146.946 -181.025 -121.1 -181.024 97.5482 105.505 -121.101 105.504 239.5 GPRESSURE: 1049800 258.742 -134.548 -99.9173 -85.2564 112.06 55.8525 -76.5824 12.1128 195.144 PRESSAVG: 1049800 6.24669 -29.2138 -56.1204 -29.2138 20.2114 47.2981 -56.1204 47.298 -4.58036 GPRESSAVG: 1049800 6.94326 -26.7176 -55.1451 -33.0824 20.0284 48.2916 -57.1785 48.5941 -5.0042 TIMING: 1049800 CPU: 3381.39, 0.00319461/step Wall: 3381.39, 0.00319461/step, 3.50538 hours remaining, 231.183594 MB of memory in use. ENERGY: 1049800 3962.1854 20444.6952 14521.1525 252.3059 -203105.6766 2373.3349 0.0000 0.0000 52089.5504 -109462.4524 299.3594 -161552.0027 -109098.5094 299.3668 161.3313 188.6483 759070.3077 7.2926 7.3225 PRESSURE: 1050000 -217.224 -220.716 -46.9238 -220.716 -183.256 182.514 -46.9229 182.514 5.07703 GPRESSURE: 1050000 -253.269 -76.0227 -77.5062 -245.489 -124.581 179.545 -147.922 102.431 93.2735 PRESSAVG: 1050000 -29.5376 -59.3091 -19.2974 -59.3091 2.63411 77.2926 -19.2975 77.2926 4.77299 GPRESSAVG: 1050000 -28.7428 -60.4705 -20.5484 -55.6207 1.85746 76.3767 -18.2176 78.7669 4.89859 TIMING: 1050000 CPU: 3382.03, 0.00317912/step Wall: 3382.03, 0.00317912/step, 3.4882 hours remaining, 231.183594 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: 1050000 4057.5876 20394.0336 14506.0777 250.2359 -202950.1941 2222.8080 0.0000 0.0000 52176.3216 -109343.1298 299.8580 -161519.4514 -108978.4281 299.6042 -131.8012 -94.8589 760029.2054 -7.3768 -7.3289 PRESSURE: 1050200 -69.8137 -143.113 -181.305 -143.113 -79.7946 71.3604 -181.305 71.3594 -5.03852 GPRESSURE: 1050200 29.5776 -215.459 -193.211 -89.522 -48.9914 85.7092 -78.6949 80.8046 -40.2206 PRESSAVG: 1050200 -27.6232 -65.5888 46.7282 -65.5887 18.1446 21.2928 46.7281 21.2929 -1.75441 GPRESSAVG: 1050200 -28.5647 -66.1762 48.1689 -67.1523 19.123 21.0341 47.4763 18.8924 -1.7098 TIMING: 1050200 CPU: 3382.67, 0.0031968/step Wall: 3382.67, 0.00319679/step, 3.50742 hours remaining, 231.183594 MB of memory in use. ENERGY: 1050200 4014.4858 20352.3624 14554.7871 248.8137 -203268.1695 2508.4624 0.0000 0.0000 52152.8898 -109436.3682 299.7234 -161589.2580 -109067.8927 299.5874 -51.5489 -19.8781 760158.6381 -3.7443 -3.7172 PRESSURE: 1050400 -152.391 -144.08 209.893 -144.08 136.104 -90.775 209.893 -90.7748 -109.265 GPRESSURE: 1050400 -194.788 -108.613 197.434 -226.001 230.409 -123.759 189.884 -7.07507 -93.5278 PRESSAVG: 1050400 39.7684 -6.41596 10.6968 -6.41594 -48.3357 58.7788 10.6968 58.7788 -6.90138 GPRESSAVG: 1050400 39.4696 -4.41245 9.69538 -5.73487 -48.3096 58.1302 10.8643 60.5644 -6.47847 TIMING: 1050400 CPU: 3383.31, 0.00320399/step Wall: 3383.31, 0.00320399/step, 3.51514 hours remaining, 231.183594 MB of memory in use. ENERGY: 1050400 3960.0957 20447.5386 14572.4591 261.5883 -202911.6632 2205.2716 0.0000 0.0000 51807.6100 -109657.0998 297.7390 -161464.7098 -109305.3516 299.5406 -41.8506 -19.3022 760580.7541 -5.1562 -5.1062 PRESSURE: 1050600 -46.6083 -34.5421 53.3472 -34.542 19.3906 -89.4067 53.3478 -89.4063 -64.3333 GPRESSURE: 1050600 -37.2563 20.6263 82.1434 -2.70866 98.7114 -129.558 69.1216 136.808 -70.9117 PRESSAVG: 1050600 10.2142 -44.7882 -6.80841 -44.7883 -8.65351 24.6551 -6.80839 24.6551 15.5271 GPRESSAVG: 1050600 10.5738 -45.6418 -6.40668 -44.928 -9.14303 26.0921 -7.68471 25.0216 15.5564 TIMING: 1050600 CPU: 3383.95, 0.0031873/step Wall: 3383.95, 0.0031873/step, 3.49665 hours remaining, 231.183594 MB of memory in use. ENERGY: 1050600 3992.5920 20434.3885 14457.4181 246.5803 -203420.2128 2483.3202 0.0000 0.0000 52028.3193 -109777.5944 299.0075 -161805.9137 -109403.6985 299.0460 -30.5170 -3.1522 759322.3788 5.6959 5.6624 PRESSURE: 1050800 -273.147 -24.3441 43.6733 -24.3439 -119.707 -70.565 43.6737 -70.5636 33.5457 GPRESSURE: 1050800 -40.4204 24.286 66.3814 -194.943 -155.035 -22.9969 41.0419 -37.7084 -91.6822 PRESSAVG: 1050800 17.4817 -26.3657 -18.2812 -26.3658 13.9342 29.4291 -18.2813 29.4292 -6.28737 GPRESSAVG: 1050800 18.2589 -24.8807 -17.431 -27.5336 12.7103 29.2589 -20.1125 30.49 -5.93276 TIMING: 1050800 CPU: 3384.58, 0.00315446/step Wall: 3384.58, 0.00315446/step, 3.46044 hours remaining, 231.183594 MB of memory in use. ENERGY: 1050800 3936.8633 20461.7960 14556.8269 241.3771 -203433.7686 2381.5754 0.0000 0.0000 51903.4173 -109951.9127 298.2897 -161855.3300 -109582.1945 298.8001 -119.7695 -95.7124 760946.0731 8.3762 8.3455 PRESSURE: 1051000 88.7459 -160.213 147.081 -160.214 252.691 49.7961 147.082 49.7961 141.746 GPRESSURE: 1051000 159.307 -155.108 93.9515 -19.1433 201.763 57.1104 200.463 71.9026 228.392 PRESSAVG: 1051000 48.3696 -37.559 28.1951 -37.5589 -22.4539 -6.4979 28.1951 -6.49781 -7.28169 GPRESSAVG: 1051000 47.1471 -39.828 27.1192 -36.1261 -20.8216 -7.71966 28.7141 -6.47154 -7.9983 TIMING: 1051000 CPU: 3385.21, 0.0031828/step Wall: 3385.21, 0.0031828/step, 3.49136 hours remaining, 231.183594 MB of memory in use. ENERGY: 1051000 3996.9555 20095.3800 14503.9339 277.2694 -203583.2964 2745.7873 0.0000 0.0000 51868.2802 -110095.6902 298.0877 -161963.9704 -109729.4424 298.3702 161.0610 196.4873 760296.7582 6.2113 6.1091 PRESSURE: 1051200 123.831 152.513 2.38679 152.513 70.0684 166.621 2.3861 166.62 -183.797 GPRESSURE: 1051200 145.325 189.399 -3.20649 96.6573 112.401 180.957 -5.85079 133.976 -166.096 PRESSAVG: 1051200 -22.5289 -68.3071 29.4256 -68.3071 -0.748762 33.0256 29.4256 33.0255 4.87872 GPRESSAVG: 1051200 -23.7852 -65.1636 30.0668 -70.1997 -1.59594 35.4099 31.1591 29.953 6.39703 TIMING: 1051200 CPU: 3385.85, 0.00319042/step Wall: 3385.85, 0.00319042/step, 3.49953 hours remaining, 231.183594 MB of memory in use. ENERGY: 1051200 3956.9786 20301.2269 14505.6243 230.6645 -203358.6200 2711.7230 0.0000 0.0000 51762.0761 -109890.3266 297.4774 -161652.4027 -109532.7703 298.1163 3.3675 30.5433 761091.7482 -6.1330 -6.3280 PRESSURE: 1051400 -164.403 119.188 38.8131 119.188 232.321 175.185 38.8125 175.185 629.833 GPRESSURE: 1051400 -73.0794 191.95 -0.279339 133.552 293.02 98.0913 -2.59472 126.782 577.068 PRESSAVG: 1051400 -1.23472 -55.1593 18.535 -55.1593 20.161 29.5199 18.5351 29.52 -14.75 GPRESSAVG: 1051400 -0.826854 -56.8199 17.3192 -52.6036 21.0448 30.5385 19.3272 29.9611 -15.9176 TIMING: 1051400 CPU: 3386.49, 0.00318538/step Wall: 3386.49, 0.00318538/step, 3.49383 hours remaining, 231.183594 MB of memory in use. ENERGY: 1051400 3944.8315 20357.3726 14501.1362 248.1876 -203501.3519 2735.2381 0.0000 0.0000 51963.2786 -109751.3072 298.6337 -161714.5858 -109386.6465 298.5577 232.5840 265.6696 759416.1855 1.3921 1.4334 PRESSURE: 1051600 183.743 38.729 -180.642 38.7289 -61.57 -309.047 -180.643 -309.046 -506.494 GPRESSURE: 1051600 206.841 -82.9212 -201.432 133.692 -64.7685 -235.304 -193.782 -266.375 -440.303 PRESSAVG: 1051600 17.9126 -7.54256 3.21277 -7.54256 15.234 -13.826 3.21274 -13.826 29.5516 GPRESSAVG: 1051600 18.8958 -7.73747 3.27425 -9.63176 14.4436 -14.0408 3.77073 -14.9153 29.4971 TIMING: 1051600 CPU: 3387.13, 0.00319739/step Wall: 3387.13, 0.00319739/step, 3.50683 hours remaining, 231.183594 MB of memory in use. ENERGY: 1051600 3916.2412 20608.3450 14530.3594 237.8129 -203648.0170 2547.0604 0.0000 0.0000 52350.4841 -109457.7140 300.8590 -161808.1981 -109089.4028 298.8919 -128.1071 -99.4104 760179.3962 20.8994 20.9455 PRESSURE: 1051800 169.642 -177.506 51.6984 -177.506 -104.103 -227.55 51.6999 -227.55 373.366 GPRESSURE: 1051800 125.488 -293.795 73.1982 -196.633 -80.1745 -172.717 -41.2554 -220.849 487.534 PRESSAVG: 1051800 77.3506 35.1241 -21.4248 35.1241 -41.6506 6.21274 -21.4248 6.21275 22.2703 GPRESSAVG: 1051800 76.289 33.9022 -20.5494 33.8951 -40.8615 5.47649 -24.9978 8.04923 22.0551 TIMING: 1051800 CPU: 3387.76, 0.0031732/step Wall: 3387.76, 0.0031732/step, 3.48012 hours remaining, 231.183594 MB of memory in use. ENERGY: 1051800 4062.9327 20316.4435 14514.9894 244.2100 -203101.8542 2304.5153 0.0000 0.0000 52269.1290 -109389.6344 300.3914 -161658.7633 -109024.4336 299.6580 146.3017 177.6160 759622.5224 19.3234 19.1609 PRESSURE: 1052000 -21.8258 -51.2589 -114.978 -51.259 190.541 -30.9725 -114.977 -30.9717 115.133 GPRESSURE: 1052000 -19.0717 -34.5506 -122.326 57.8905 238.448 -12.5933 -54.9022 95.2533 152.414 PRESSAVG: 1052000 8.52549 -4.60161 -36.7868 -4.60166 -5.82452 24.8714 -36.7867 24.8714 8.23266 GPRESSAVG: 1052000 8.79086 -2.10757 -35.3658 -2.49831 -6.5521 24.8812 -36.9844 26.8512 8.84661 TIMING: 1052000 CPU: 3388.4, 0.00317478/step Wall: 3388.4, 0.00317478/step, 3.48168 hours remaining, 231.183594 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: 1052000 4017.8165 20566.8723 14515.2122 256.3097 -203232.6638 2380.9427 0.0000 0.0000 52106.1716 -109389.3387 299.4549 -161495.5103 -109030.7402 299.4004 94.6162 123.9299 760542.9737 3.6445 3.6951 PRESSURE: 1052200 -279.416 -163.32 -174.611 -163.32 -11.8745 80.8437 -174.612 80.8435 51.6207 GPRESSURE: 1052200 -261.73 -156.85 -92.481 -148.232 14.0938 83.0233 -176.946 -50.5804 82.2456 PRESSAVG: 1052200 6.20252 -37.8413 20.5451 -37.8412 2.52572 15.7722 20.5451 15.7722 -5.22627 GPRESSAVG: 1052200 7.1025 -38.0885 19.4834 -37.9369 2.0418 14.525 22.7261 14.1734 -6.22539 TIMING: 1052200 CPU: 3389.03, 0.00316631/step Wall: 3389.03, 0.00316631/step, 3.47221 hours remaining, 231.183594 MB of memory in use. ENERGY: 1052200 4060.4790 20577.0514 14574.3788 266.5953 -203738.3743 2692.1203 0.0000 0.0000 52232.3154 -109335.4340 300.1798 -161567.7495 -108982.8972 299.8912 -79.8900 -55.1302 761988.4948 1.1673 0.9730 LDB: ============= START OF LOAD BALANCING ============== 3401.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3401.46 LDB: =============== DONE WITH MIGRATION ================ 3401.46 LDB: ============= START OF LOAD BALANCING ============== 3401.78 LDB: Largest compute 7070 load 0.034235 is 17.5% of average load 0.195448 LDB: Average compute 0.004423 is 2.3% of average load 0.195448 LDB: TIME 3401.78 LOAD: AVG 0.195448 MAX 0.218954 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.102 MB LDB: TIME 3401.78 LOAD: AVG 0.195448 MAX 0.218954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.102 MB LDB: TIME 3401.78 LOAD: AVG 0.195448 MAX 0.217574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.102 MB LDB: ============== END OF LOAD BALANCING =============== 3401.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3401.79 PRESSURE: 1052400 390.675 -33.5817 -69.7606 -33.5816 -98.3521 23.6837 -69.7599 23.683 63.6063 GPRESSURE: 1052400 269.037 92.7091 -34.0157 -71.9458 69.0923 13.3927 -28.1898 -54.3312 121.081 PRESSAVG: 1052400 32.927 8.83176 0.24661 8.83177 -14.8641 48.245 0.246578 48.245 -3.66547 GPRESSAVG: 1052400 32.6283 9.41226 0.989363 7.21923 -15.1408 49.6052 -0.572764 46.2091 -2.91605 TIMING: 1052400 CPU: 3389.69, 0.00326885/step Wall: 3389.69, 0.00326885/step, 3.58448 hours remaining, 231.386719 MB of memory in use. ENERGY: 1052400 3917.4249 20386.8074 14592.6833 243.9781 -203606.5106 2777.3536 0.0000 0.0000 52152.2204 -109536.0429 299.7195 -161688.2633 -109181.1906 299.2192 118.6430 153.0702 760732.0233 4.7992 4.8572 PRESSURE: 1052600 404.229 93.6338 273.831 93.6344 190.855 -156.005 273.83 -156.004 199.33 GPRESSURE: 1052600 423.592 89.2265 213.888 124.153 223.529 -215.982 209.744 -130.721 232.37 PRESSAVG: 1052600 10.9278 -8.69112 46.4205 -8.69111 -11.8978 -11.0777 46.4205 -11.0778 1.34923 GPRESSAVG: 1052600 9.98618 -9.26047 44.6949 -8.19043 -10.9486 -11.724 46.5304 -10.6377 1.09946 TIMING: 1052600 CPU: 3390.32, 0.00316881/step Wall: 3390.32, 0.00316881/step, 3.4746 hours remaining, 231.386719 MB of memory in use. ENERGY: 1052600 3987.8984 20441.1487 14518.2489 235.2658 -203438.7240 2622.9784 0.0000 0.0000 52277.4931 -109355.6907 300.4395 -161633.1838 -108994.6009 299.3319 264.8045 293.1639 760979.8166 0.1264 0.0457 PRESSURE: 1052800 -73.1665 132.59 -42.232 132.591 103.239 72.6195 -42.2313 72.6202 -119.575 GPRESSURE: 1052800 -45.2172 166.683 23.1109 99.86 92.4741 14.5606 -4.30465 20.1126 -56.5527 PRESSAVG: 1052800 15.9415 3.59367 -10.0199 3.59369 -0.825156 -62.6501 -10.02 -62.6502 0.346168 GPRESSAVG: 1052800 17.3699 3.20907 -9.65999 2.73774 -1.47614 -61.7342 -8.85428 -61.3207 -0.170295 TIMING: 1052800 CPU: 3390.95, 0.00316671/step Wall: 3390.95, 0.00316671/step, 3.47212 hours remaining, 231.386719 MB of memory in use. ENERGY: 1052800 3983.7867 20543.5610 14565.1181 236.3165 -203199.2243 2269.2326 0.0000 0.0000 52240.2426 -109360.9669 300.2254 -161601.2094 -109001.1887 299.9783 -29.8339 -3.0986 759841.1064 5.1542 5.2412 PRESSURE: 1053000 16.1851 -125.657 180.003 -125.657 192.301 -294.082 180.002 -294.082 94.2926 GPRESSURE: 1053000 64.3106 -150.154 149.975 -75.5879 219.378 -245.919 104.001 -240.226 111.578 PRESSAVG: 1053000 -1.17485 -39.4141 -8.88908 -39.4141 -1.47974 -16.4755 -8.88901 -16.4755 6.05533 GPRESSAVG: 1053000 -2.59256 -38.8859 -8.31091 -37.5281 -1.51927 -18.1326 -8.91033 -14.5308 7.38288 TIMING: 1053000 CPU: 3391.59, 0.00317136/step Wall: 3391.59, 0.00317136/step, 3.47704 hours remaining, 231.386719 MB of memory in use. ENERGY: 1053000 4004.0827 20504.0664 14548.9410 260.2673 -203320.8455 2449.9768 0.0000 0.0000 52092.3169 -109461.1943 299.3753 -161553.5112 -109099.2045 299.4164 100.9264 131.7556 759780.6925 1.1336 1.0904 PRESSURE: 1053200 -484.024 72.8165 24.5198 72.817 -88.1535 84.2608 24.5201 84.2604 -336.556 GPRESSURE: 1053200 -366.876 163.427 -86.4161 -40.4774 -131.34 76.3146 -28.5918 -23.8775 -332.776 PRESSAVG: 1053200 -45.6492 -17.3223 -25.4967 -17.3223 19.6778 -1.33003 -25.4967 -1.33 -10.4206 GPRESSAVG: 1053200 -44.3426 -16.0807 -26.23 -17.9603 18.6105 -1.15281 -25.2734 -3.49301 -10.6981 TIMING: 1053200 CPU: 3392.22, 0.00318328/step Wall: 3392.22, 0.00318328/step, 3.48993 hours remaining, 231.386719 MB of memory in use. ENERGY: 1053200 4024.1822 20528.5608 14473.4757 251.4328 -203145.6037 2140.8841 0.0000 0.0000 52066.5617 -109660.5064 299.2272 -161727.0681 -109300.1023 299.1722 -302.9109 -276.9973 762223.4865 -12.1307 -12.1434 PRESSURE: 1053400 -103.896 -96.0011 109.513 -96.0009 -117.84 -56.6965 109.513 -56.6969 385.175 GPRESSURE: 1053400 -81.7901 -149.088 59.6194 -103.304 -30.2271 23.1595 121.693 48.7338 354.025 PRESSAVG: 1053400 -44.5788 -58.3939 13.7829 -58.3939 30.54 -5.1215 13.7829 -5.12145 18.1367 GPRESSAVG: 1053400 -45.6138 -58.616 12.7682 -56.9941 32.5386 -3.61823 13.2823 -6.46313 16.9238 TIMING: 1053400 CPU: 3392.86, 0.00316508/step Wall: 3392.86, 0.00316508/step, 3.46981 hours remaining, 231.386719 MB of memory in use. ENERGY: 1053400 4028.2876 20536.8752 14467.3779 254.9858 -203501.1311 2607.6650 0.0000 0.0000 52115.2751 -109490.6646 299.5072 -161605.9397 -109126.0603 299.4945 54.4795 80.6694 759837.2865 1.3660 1.2829 PRESSURE: 1053600 89.2781 -60.5085 -65.1057 -60.5088 87.7953 -9.11966 -65.1053 -9.12065 259.197 GPRESSURE: 1053600 199.078 35.4395 -9.39129 8.70441 92.8701 21.2034 -152.513 22.1691 243.691 PRESSAVG: 1053600 4.0578 -17.8657 6.70861 -17.8658 -51.1191 13.7327 6.70861 13.7327 -6.66228 GPRESSAVG: 1053600 5.13328 -19.7667 5.84376 -18.7189 -53.1018 14.7455 6.381 15.1736 -6.26816 TIMING: 1053600 CPU: 3393.49, 0.0031617/step Wall: 3393.49, 0.0031617/step, 3.46593 hours remaining, 231.386719 MB of memory in use. ENERGY: 1053600 3927.4280 20621.3555 14564.8431 256.3486 -203327.9835 2488.3308 0.0000 0.0000 52105.7384 -109363.9391 299.4524 -161469.6775 -109002.5549 299.8958 145.4236 178.5464 762538.1858 -17.9079 -18.0789 PRESSURE: 1053800 -228.818 22.5833 90.538 22.5829 -418.627 -116.677 90.5369 -116.677 -185.248 GPRESSURE: 1053800 -186.979 4.59355 68.1471 -32.1237 -334.515 -131.121 -8.97163 -134.164 -213.776 PRESSAVG: 1053800 36.2316 -27.0079 -81.5603 -27.0079 9.02996 27.7691 -81.5603 27.7691 0.783394 GPRESSAVG: 1053800 35.5554 -27.2312 -79.9913 -29.3329 10.1143 26.5001 -81.1918 27.5978 0.173376 TIMING: 1053800 CPU: 3394.12, 0.00314301/step Wall: 3394.12, 0.00314301/step, 3.44526 hours remaining, 231.386719 MB of memory in use. ENERGY: 1053800 4030.1816 20569.0609 14422.9528 243.4608 -203116.9584 2348.9436 0.0000 0.0000 52176.1484 -109326.2102 299.8570 -161502.3586 -108953.2538 300.1099 -277.5642 -245.0897 760363.2890 15.3483 15.2810 PRESSURE: 1054000 187.025 36.6878 -70.5818 36.6875 -42.1791 93.3385 -70.5823 93.3375 341.9 GPRESSURE: 1054000 193.355 -22.5098 -171.641 -69.2722 11.9803 27.5423 -47.9707 -30.1835 350.725 PRESSAVG: 1054000 4.78348 12.9676 -19.4556 12.9677 -24.4228 -39.6296 -19.4556 -39.6296 29.681 GPRESSAVG: 1054000 4.0054 13.3193 -19.1729 14.244 -26.1784 -37.9242 -19.3624 -41.6837 31.8022 TIMING: 1054000 CPU: 3394.75, 0.00317898/step Wall: 3394.75, 0.00317898/step, 3.48451 hours remaining, 231.386719 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: 1054000 3962.8111 20622.0818 14543.8150 249.4278 -203829.4822 3089.2435 0.0000 0.0000 52086.3602 -109275.7429 299.3410 -161362.1032 -108922.0765 299.1653 162.2484 185.3534 761469.3472 3.3472 3.2097 PRESSURE: 1054200 340.056 -129.816 51.6405 -129.816 165 -49.2449 51.6414 -49.2444 150.01 GPRESSURE: 1054200 427.415 -279.232 58.7811 -13.4478 169.885 -5.81528 5.10375 31.166 152.819 PRESSAVG: 1054200 -20.6909 2.21437 10.138 2.21438 26.6838 40.2616 10.1381 40.2616 13.5481 GPRESSAVG: 1054200 -19.911 1.42196 9.54413 4.15758 27.4737 38.949 9.81828 40.6489 11.6842 TIMING: 1054200 CPU: 3395.39, 0.0031934/step Wall: 3395.39, 0.0031934/step, 3.50015 hours remaining, 231.386719 MB of memory in use. ENERGY: 1054200 4017.7871 20476.3049 14426.8949 241.4871 -203414.7831 2648.2079 0.0000 0.0000 52128.4512 -109475.6499 299.5829 -161604.1011 -109112.7155 299.7327 218.3551 250.0398 760510.8013 6.5137 6.4156 PRESSURE: 1054400 8.23999 -228.952 26.8685 -228.953 -601.241 -223.077 26.8696 -223.077 33.2057 GPRESSURE: 1054400 -29.2181 -212.144 9.78698 -184.204 -501.447 -251.982 45.4358 -18.6015 41.9835 PRESSAVG: 1054400 -25.7688 -41.9611 -66.9596 -41.9611 -21.4451 -36.3134 -66.9595 -36.3134 -1.59105 GPRESSAVG: 1054400 -24.5099 -41.2693 -67.9801 -42.8033 -21.1888 -36.904 -67.7978 -34.4293 -3.26726 TIMING: 1054400 CPU: 3396.02, 0.00314875/step Wall: 3396.02, 0.00314875/step, 3.45103 hours remaining, 231.386719 MB of memory in use. ENERGY: 1054400 4006.9549 20547.7048 14527.0456 246.9559 -203172.0425 2302.3883 0.0000 0.0000 52040.0299 -109500.9632 299.0748 -161540.9931 -109144.7536 299.1484 -186.5986 -162.8938 760139.6182 -16.2683 -16.3220 PRESSURE: 1054600 -106.866 104.844 -160.578 104.843 219.443 -81.3794 -160.578 -81.3787 -334.588 GPRESSURE: 1054600 -76.6944 103.327 -47.2129 12.429 264.132 -9.45437 -196.963 -100.694 -313.812 PRESSAVG: 1054600 -45.9566 -54.3856 -39.4676 -54.3857 -5.80273 13.514 -39.4676 13.514 3.69917 GPRESSAVG: 1054600 -47.1746 -53.933 -37.8777 -55.7634 -6.19027 14.2137 -40.4169 11.2968 4.73096 TIMING: 1054600 CPU: 3396.65, 0.00315806/step Wall: 3396.65, 0.00315806/step, 3.46106 hours remaining, 231.386719 MB of memory in use. ENERGY: 1054600 3980.6217 20507.4706 14487.0685 252.3386 -203108.1344 2241.4249 0.0000 0.0000 51952.3722 -109686.8380 298.5710 -161639.2102 -109320.0533 298.9604 -74.0039 -42.1249 760355.0704 -16.0200 -16.2113 PRESSURE: 1054800 -11.5062 64.5214 12.3764 64.5223 71.3465 132.249 12.3765 132.249 -138.417 GPRESSURE: 1054800 -83.687 -48.4738 2.79387 137.008 199.752 111.838 39.6548 -22.0325 -110.738 PRESSAVG: 1054800 23.4158 -5.27349 -9.13 -5.27344 -15.1576 -10.0808 -9.13005 -10.0809 -4.48706 GPRESSAVG: 1054800 22.9384 -3.83955 -8.37893 -3.92285 -14.8967 -10.3945 -8.80618 -10.8149 -4.36936 TIMING: 1054800 CPU: 3397.28, 0.00315362/step Wall: 3397.28, 0.00315362/step, 3.45602 hours remaining, 231.386719 MB of memory in use. ENERGY: 1054800 4008.3785 20422.1556 14595.2941 250.3185 -203367.7538 2433.5671 0.0000 0.0000 51960.1775 -109697.8627 298.6159 -161658.0402 -109329.0919 298.7963 -26.1923 1.7758 758816.0325 1.2571 1.2241 PRESSURE: 1055000 -45.037 187.389 14.3508 187.389 84.2465 -141.679 14.3524 -141.678 -105.436 GPRESSURE: 1055000 -45.2806 286.21 -77.9198 220.08 111.258 -72.8071 22.8907 -23.2797 -36.1319 PRESSAVG: 1055000 1.92786 -30.6422 -29.7667 -30.6422 28.662 5.28675 -29.7667 5.28687 18.9468 GPRESSAVG: 1055000 0.908856 -32.5215 -30.7331 -30.936 28.3849 5.60391 -28.253 7.94315 19.8392 TIMING: 1055000 CPU: 3397.92, 0.00315718/step Wall: 3397.92, 0.00315718/step, 3.45974 hours remaining, 231.386719 MB of memory in use. ENERGY: 1055000 3901.3247 20439.9883 14574.1669 226.2094 -203288.1302 2573.2560 0.0000 0.0000 52050.2411 -109522.9437 299.1335 -161573.1847 -109157.9248 298.9790 -22.0756 9.9485 761106.7888 16.5122 16.3777 PRESSURE: 1055200 119.005 39.9713 -263.382 39.9718 -50.7461 100.101 -263.381 100.099 604.81 GPRESSURE: 1055200 148.32 -31.2461 -177.86 148.619 17.6404 44.6054 -238.835 115.996 603.354 PRESSAVG: 1055200 5.92707 -37.1799 2.55257 -37.1799 -3.51919 7.37544 2.55257 7.37539 22.4447 GPRESSAVG: 1055200 6.98551 -36.2468 1.40672 -38.3679 -3.66379 5.68179 3.7016 7.10085 21.4009 TIMING: 1055200 CPU: 3398.55, 0.00317765/step Wall: 3398.55, 0.00317765/step, 3.482 hours remaining, 231.386719 MB of memory in use. ENERGY: 1055200 3959.3296 20773.9119 14533.1689 256.6869 -203674.6755 2723.7369 0.0000 0.0000 51887.4016 -109540.4397 298.1976 -161427.8413 -109186.7985 299.2155 224.3563 256.4380 759010.5417 8.2842 8.2409 PRESSURE: 1055400 -62.8689 -144.227 338.245 -144.227 -8.57867 240.005 338.245 240.004 -29.5155 GPRESSURE: 1055400 -6.96738 -140.904 364.691 -153.171 18.6215 235.184 210.601 270.375 -23.6053 PRESSAVG: 1055400 59.1794 -56.8209 60.0528 -56.8209 -101.549 26.9032 60.0529 26.9031 -1.66351 GPRESSAVG: 1055400 59.9128 -58.8856 62.1542 -56.5215 -101.557 27.0452 57.0137 26.5122 -2.28458 TIMING: 1055400 CPU: 3399.18, 0.00314784/step Wall: 3399.18, 0.00314784/step, 3.44916 hours remaining, 231.386719 MB of memory in use. ENERGY: 1055400 4036.0368 20605.9837 14489.1624 225.6118 -203547.8430 2582.1364 0.0000 0.0000 52014.4966 -109594.4153 298.9280 -161608.9119 -109240.8790 299.4921 -33.6544 -3.9837 758627.5653 -14.6777 -14.6428 PRESSURE: 1055600 -26.0446 113.288 -271.632 113.288 96.8927 5.47298 -271.632 5.47278 -207.432 GPRESSURE: 1055600 -28.7793 146.001 -272.768 89.9136 134.905 83.0773 -235.733 -23.8919 -189.422 PRESSAVG: 1055600 71.2233 -43.159 17.9232 -43.159 -108.744 -15.7848 17.9232 -15.7848 18.4246 GPRESSAVG: 1055600 70.8106 -42.2899 17.1411 -43.0046 -108.486 -14.76 18.2331 -17.8978 18.5832 TIMING: 1055600 CPU: 3399.81, 0.0031449/step Wall: 3399.81, 0.00314491/step, 3.44577 hours remaining, 231.386719 MB of memory in use. ENERGY: 1055600 4018.4735 20546.6358 14491.4995 252.4803 -203102.0647 2113.7511 0.0000 0.0000 52060.5803 -109618.6442 299.1929 -161679.2245 -109256.9416 299.0771 -45.5280 -27.7653 760457.2873 -6.3655 -6.3642 PRESSURE: 1055800 98.174 -162.811 11.4175 -162.811 -296.746 137.712 11.4171 137.714 -122.687 GPRESSURE: 1055800 35.6052 -100.341 2.21257 -49.6656 -268.15 84.8681 68.7945 67.3733 -10.3903 PRESSAVG: 1055800 82.6112 -37.2517 -2.47456 -37.2516 -85.6457 -22.5303 -2.47456 -22.5303 -13.2365 GPRESSAVG: 1055800 81.6588 -36.0924 -2.19233 -37.8727 -85.6386 -21.5315 0.350624 -22.6939 -12.3792 TIMING: 1055800 CPU: 3400.44, 0.00314313/step Wall: 3400.44, 0.00314313/step, 3.44365 hours remaining, 231.386719 MB of memory in use. ENERGY: 1055800 4019.2910 20399.7300 14583.3018 245.1644 -203477.2193 2391.3712 0.0000 0.0000 52292.1266 -109546.2343 300.5236 -161838.3609 -109178.8694 299.2459 -107.0862 -80.9782 759247.1143 -5.4237 -5.4530 PRESSURE: 1056000 -36.4403 -214.536 192.785 -214.536 -184.939 37.5528 192.783 37.5531 62.5245 GPRESSURE: 1056000 -40.3784 -199.928 183.914 -133.494 -119.41 59.0911 108.011 52.5528 98.9086 PRESSAVG: 1056000 59.15 -26.5939 -23.5219 -26.5939 -55.8853 -48.0734 -23.5219 -48.0734 -2.36749 GPRESSAVG: 1056000 60.0106 -28.387 -23.5854 -25.5899 -54.8913 -48.4675 -25.1443 -46.176 -4.15293 TIMING: 1056000 CPU: 3401.07, 0.00316908/step Wall: 3401.07, 0.00316908/step, 3.4719 hours remaining, 231.386719 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: 1056000 4019.2297 20473.2338 14494.9083 270.5043 -203393.9088 2391.5267 0.0000 0.0000 52030.6494 -109713.8566 299.0209 -161744.5060 -109354.2658 299.1108 -52.9517 -20.2932 760043.5281 0.2991 0.3221 PRESSURE: 1056200 -0.908481 76.5259 294.957 76.5257 -35.4428 50.8484 294.957 50.8478 15.9045 GPRESSURE: 1056200 30.364 153.255 247.695 28.3323 -6.15425 65.2615 154.631 -29.8163 36.2525 PRESSAVG: 1056200 25.7966 -37.5029 35.8782 -37.5029 -31.1434 -25.6575 35.8782 -25.6574 -20.8894 GPRESSAVG: 1056200 25.0534 -36.4686 36.5119 -38.2206 -31.54 -25.7975 35.7759 -27.6096 -20.0921 TIMING: 1056200 CPU: 3401.7, 0.00314761/step Wall: 3401.7, 0.00314761/step, 3.44821 hours remaining, 231.386719 MB of memory in use. ENERGY: 1056200 3904.0512 20481.2430 14528.4351 258.4843 -203010.0904 2192.6599 0.0000 0.0000 52221.7701 -109423.4467 300.1192 -161645.2168 -109062.7547 299.1969 -6.8156 20.1541 759505.9613 -8.7454 -8.8595 LDB: ============= START OF LOAD BALANCING ============== 3414.12 LDB: ============== END OF LOAD BALANCING =============== 3414.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3414.13 LDB: ============= START OF LOAD BALANCING ============== 3414.44 LDB: Largest compute 7068 load 0.034272 is 17.5% of average load 0.195471 LDB: Average compute 0.004398 is 2.2% of average load 0.195471 LDB: TIME 3414.45 LOAD: AVG 0.195471 MAX 0.223546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.953 MB LDB: TIME 3414.45 LOAD: AVG 0.195471 MAX 0.223546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: TIME 3414.45 LOAD: AVG 0.195471 MAX 0.213849 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: ============== END OF LOAD BALANCING =============== 3414.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3414.45 PRESSURE: 1056400 277.809 97.654 116.03 97.654 113.805 132.735 116.029 132.735 128.602 GPRESSURE: 1056400 336.691 8.82916 127.971 51.4534 156.756 87.2796 52.8942 90.3989 126.847 PRESSAVG: 1056400 20.7224 6.52164 29.4344 6.52169 -52.0056 -4.28249 29.4344 -4.28257 -17.2182 GPRESSAVG: 1056400 20.7032 4.78003 29.2093 6.40418 -52.4549 -4.88131 29.9319 -2.81994 -17.0645 TIMING: 1056400 CPU: 3402.35, 0.003232/step Wall: 3402.35, 0.003232/step, 3.54047 hours remaining, 229.835938 MB of memory in use. ENERGY: 1056400 3977.4849 20514.8168 14474.7474 263.1778 -203110.3019 2367.7725 0.0000 0.0000 52079.9976 -109432.3048 299.3045 -161512.3025 -109064.0319 299.7183 173.4052 206.7648 761524.5824 -16.1671 -16.2721 PRESSURE: 1056600 69.1568 45.9879 -209.314 45.9872 191.029 -55.2181 -209.313 -55.2187 -102.13 GPRESSURE: 1056600 88.9015 -88.8301 -283.902 49.0381 270.892 -73.1921 -202.974 -75.4839 -131.19 PRESSAVG: 1056600 47.2155 -43.7188 8.30005 -43.7189 -21.6536 24.1687 8.30001 24.1687 -1.10858 GPRESSAVG: 1056600 47.122 -40.4103 7.11004 -44.9755 -22.0933 23.991 8.71376 25.6042 -0.704704 TIMING: 1056600 CPU: 3402.98, 0.00318128/step Wall: 3402.98, 0.00318128/step, 3.48474 hours remaining, 230.039062 MB of memory in use. ENERGY: 1056600 4007.5989 20462.3937 14510.6233 266.9421 -203478.1117 2652.0757 0.0000 0.0000 52002.6739 -109575.8042 298.8601 -161578.4781 -109222.2167 299.3328 52.6853 76.2009 761091.1944 8.1511 8.1080 PRESSURE: 1056800 105.135 -127.224 -60.6627 -127.224 107.114 302.075 -60.663 302.076 -89.6117 GPRESSURE: 1056800 197.115 -197.857 -11.2127 -84.4112 100.379 208.01 30.6647 206.643 -98.6756 PRESSAVG: 1056800 -46.0991 -45.4863 0.646889 -45.4863 58.9886 26.033 0.646978 26.0331 -19.0294 GPRESSAVG: 1056800 -45.0613 -47.2074 1.10433 -42.7644 59.3117 27.1625 1.3927 22.2544 -19.9107 TIMING: 1056800 CPU: 3403.62, 0.0032035/step Wall: 3403.62, 0.00320351/step, 3.50891 hours remaining, 230.039062 MB of memory in use. ENERGY: 1056800 3996.5285 20539.9024 14576.9645 248.0417 -202920.0707 2145.5902 0.0000 0.0000 51926.9529 -109486.0905 298.4249 -161413.0434 -109137.0537 298.9275 40.8790 66.2729 761559.7548 -2.0466 -1.8868 PRESSURE: 1057000 -321.09 185.062 37.7297 185.062 -138.861 -2.84503 37.7295 -2.84593 -182.715 GPRESSURE: 1057000 -271.442 219.337 7.4147 140.914 -48.4439 2.25239 -4.18906 -66.1856 -225.991 PRESSAVG: 1057000 6.41296 9.6424 15.4162 9.6424 -29.4608 18.1182 15.4162 18.1181 -27.1798 GPRESSAVG: 1057000 6.88559 9.15071 14.6841 7.72981 -29.165 16.9948 13.9493 19.5318 -27.4364 TIMING: 1057000 CPU: 3404.26, 0.00317837/step Wall: 3404.26, 0.00317837/step, 3.4812 hours remaining, 230.238281 MB of memory in use. ENERGY: 1057000 4007.1574 20471.7169 14493.1762 254.8242 -202873.3689 2069.9533 0.0000 0.0000 52114.8672 -109461.6737 299.5049 -161576.5409 -109101.3146 299.4920 -214.2218 -181.9590 760975.4873 -16.7425 -16.5719 PRESSURE: 1057200 299.776 -117.339 39.7647 -117.339 110.501 3.84807 39.765 3.84833 -282.823 GPRESSURE: 1057200 260.519 -87.8968 46.1717 -119.858 170.988 11.9882 101.065 81.8897 -220.132 PRESSAVG: 1057200 76.3609 8.3786 -12.9132 8.37862 -42.7707 5.91231 -12.9132 5.91229 26.2463 GPRESSAVG: 1057200 74.4407 10.4771 -11.7263 7.41984 -42.4212 5.41597 -13.6395 8.16565 27.6582 TIMING: 1057200 CPU: 3404.9, 0.00320097/step Wall: 3404.9, 0.00320097/step, 3.50578 hours remaining, 230.238281 MB of memory in use. ENERGY: 1057200 4015.7048 20529.1519 14522.8966 254.3840 -203366.8108 2577.4095 0.0000 0.0000 51914.1935 -109553.0705 298.3516 -161467.2641 -109195.9917 299.3094 42.4845 70.4587 760625.2577 19.9455 19.8925 PRESSURE: 1057400 -140.474 -191.119 -177.557 -191.119 20.5655 62.136 -177.557 62.1356 -35.1832 GPRESSURE: 1057400 -155.04 -190.731 -168.704 -147.919 77.5385 83.1996 -155.084 -23.4413 24.826 PRESSAVG: 1057400 -11.8365 -17.7528 -5.13609 -17.7527 -70.9209 -41.9601 -5.13617 -41.96 -20.3891 GPRESSAVG: 1057400 -11.606 -19.3742 -5.68901 -17.5288 -70.6922 -41.4481 -4.04652 -44.4617 -21.229 TIMING: 1057400 CPU: 3405.54, 0.00318868/step Wall: 3405.54, 0.00318868/step, 3.49214 hours remaining, 230.238281 MB of memory in use. ENERGY: 1057400 4052.2203 20454.5601 14507.8922 241.6461 -203027.0896 2311.3931 0.0000 0.0000 52129.5755 -109329.8023 299.5894 -161459.3778 -108963.3156 299.4993 -51.6971 -17.5584 760228.5160 -34.3822 -34.5091 PRESSURE: 1057600 -296.475 103.783 -75.7583 103.782 -409.582 -50.1478 -75.7586 -50.148 74.2822 GPRESSURE: 1057600 -223.072 144.609 -29.9681 104.968 -342.819 -31.1517 19.1211 38.0021 21.5975 PRESSAVG: 1057600 14.8782 -9.83302 0.348788 -9.83298 33.9253 -13.8219 0.348771 -13.8219 28.0133 GPRESSAVG: 1057600 15.6298 -9.42298 1.42187 -8.53254 33.6687 -13.7437 -0.432442 -9.17046 27.5622 TIMING: 1057600 CPU: 3406.18, 0.00322005/step Wall: 3406.18, 0.00322005/step, 3.52631 hours remaining, 230.308594 MB of memory in use. ENERGY: 1057600 3991.6267 20344.6023 14589.2644 248.0691 -202842.6776 2094.4840 0.0000 0.0000 52375.8233 -109198.8078 301.0046 -161574.6311 -108826.8026 299.7008 -210.5915 -181.4313 760352.8311 25.6056 25.6202 PRESSURE: 1057800 -20.3737 128.074 -84.5458 128.074 51.2786 -127.953 -84.5463 -127.952 43.624 GPRESSURE: 1057800 -61.4532 97.6758 -59.8412 -5.37064 104.27 -149.154 -162.02 -40.9288 127.175 PRESSAVG: 1057800 1.73977 -6.59255 -0.359062 -6.59257 34.1581 26.1864 -0.358972 26.1864 -2.54994 GPRESSAVG: 1057800 1.84233 -6.96131 -2.82169 -6.05578 34.0084 26.1749 0.389847 22.8774 -2.37947 TIMING: 1057800 CPU: 3406.82, 0.00319756/step Wall: 3406.82, 0.00319756/step, 3.5015 hours remaining, 230.308594 MB of memory in use. ENERGY: 1057800 4047.7944 20634.2968 14547.3260 241.4208 -203511.9590 2691.1314 0.0000 0.0000 51918.8290 -109431.1607 298.3782 -161349.9896 -109079.4452 299.4220 24.8430 56.6639 760905.6939 11.1160 11.1571 PRESSURE: 1058000 -163.491 -102.624 113.78 -102.623 -54.9182 65.3707 113.778 65.3698 -242.046 GPRESSURE: 1058000 -71.6281 -36.1111 147.311 -55.0975 -51.2641 104.78 83.6055 210.671 -248.216 PRESSAVG: 1058000 -3.55669 -4.49038 22.9818 -4.49041 35.5865 31.0138 22.9818 31.0138 13.3563 GPRESSAVG: 1058000 -5.04064 -5.5314 23.7164 -4.95079 36.1549 32.3 21.7623 33.2118 14.4532 TIMING: 1058000 CPU: 3407.46, 0.00319784/step Wall: 3407.46, 0.00319784/step, 3.50164 hours remaining, 230.308594 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: 1058000 4004.2617 20577.0186 14508.6384 253.4371 -203418.3266 2285.4030 0.0000 0.0000 52095.7381 -109693.8298 299.3949 -161789.5679 -109338.7436 298.6249 -153.4848 -123.7026 758166.5527 15.1287 15.1892 PRESSURE: 1058200 -169.985 -73.1788 -98.6118 -73.1802 5.89776 140.502 -98.6122 140.501 -27.4716 GPRESSURE: 1058200 -204.682 -148.859 -20.8968 -96.4503 63.3559 140.922 4.70376 123.789 29.4775 PRESSAVG: 1058200 29.5219 3.64709 11.9576 3.64711 6.31686 -34.2235 11.9575 -34.2235 15.1574 GPRESSAVG: 1058200 31.759 4.14743 11.8714 3.68925 5.645 -34.6904 13.6431 -34.9354 13.613 TIMING: 1058200 CPU: 3408.1, 0.00320469/step Wall: 3408.1, 0.00320469/step, 3.50896 hours remaining, 230.308594 MB of memory in use. ENERGY: 1058200 4032.2570 20557.0798 14464.1582 251.4472 -203123.2723 2356.1586 0.0000 0.0000 52024.4105 -109437.7610 298.9850 -161462.1714 -109081.3423 298.9846 -63.8529 -37.2828 762125.4831 16.9987 17.0057 PRESSURE: 1058400 1.72529 51.7242 -135.396 51.7251 -169.484 -123.673 -135.397 -123.673 409.3 GPRESSURE: 1058400 -22.2678 -28.9956 -133.676 71.2225 -52.1245 -66.967 -7.16885 -140.575 396.631 PRESSAVG: 1058400 -57.6443 -15.907 28.5303 -15.9069 28.2073 -46.0267 28.5303 -46.0266 -14.2735 GPRESSAVG: 1058400 -59.8022 -15.3779 28.0773 -15.5327 28.5187 -46.0674 27.4433 -46.3292 -12.6715 TIMING: 1058400 CPU: 3408.74, 0.00319619/step Wall: 3408.74, 0.00319619/step, 3.49947 hours remaining, 230.308594 MB of memory in use. ENERGY: 1058400 3973.0547 20606.6966 14534.4717 254.5571 -203660.8433 2768.8516 0.0000 0.0000 52173.7002 -109349.5114 299.8430 -161523.2116 -108989.8341 299.8202 80.5138 107.4128 759982.2263 -14.5702 -14.6517 PRESSURE: 1058600 -19.5358 -239.564 13.2355 -239.564 -38.5578 -26.7017 13.2355 -26.7019 157.459 GPRESSURE: 1058600 114.248 -176.128 23.1077 -240.687 -56.9807 -42.5766 -192.368 -208.039 133.643 PRESSAVG: 1058600 11.8468 -12.9223 25.0198 -12.9224 0.381594 -37.9745 25.0198 -37.9746 -10.9534 GPRESSAVG: 1058600 13.7438 -12.0864 26.1771 -14.2278 -0.249435 -39.6659 22.8535 -38.4208 -12.0994 TIMING: 1058600 CPU: 3409.37, 0.00316545/step Wall: 3409.37, 0.00316545/step, 3.46564 hours remaining, 230.308594 MB of memory in use. ENERGY: 1058600 4063.2420 20475.9945 14558.8218 237.7510 -203068.7048 2514.3707 0.0000 0.0000 52045.6999 -109172.8249 299.1074 -161218.5249 -108810.2182 300.0843 33.1217 63.6366 762434.3404 0.4250 0.4650 PRESSURE: 1058800 -33.9385 10.359 44.3799 10.3591 155.703 -95.6738 44.3795 -95.6743 98.4897 GPRESSURE: 1058800 -75.6391 143.589 -25.9902 62.5833 200.915 -113.494 90.9838 -54.4412 178.959 PRESSAVG: 1058800 -62.2021 -10.6706 -31.0808 -10.6706 74.6115 -12.9618 -31.0808 -12.9617 3.97413 GPRESSAVG: 1058800 -62.666 -9.67291 -31.5329 -11.6219 75.0052 -10.7643 -27.9286 -11.9275 4.08361 TIMING: 1058800 CPU: 3410.01, 0.00316822/step Wall: 3410.01, 0.00316822/step, 3.4685 hours remaining, 230.308594 MB of memory in use. ENERGY: 1058800 4020.1077 20615.9197 14543.3854 240.8350 -203622.3487 2489.1675 0.0000 0.0000 52394.4107 -109318.5227 301.1114 -161712.9334 -108955.1373 300.4043 73.4180 101.4119 758787.8752 5.4612 5.4742 PRESSURE: 1059000 53.8512 165.935 178.325 165.936 155.855 138.125 178.325 138.124 -218.267 GPRESSURE: 1059000 78.0653 235.211 144.594 16.9242 172.772 110.216 162.278 118.545 -175.471 PRESSAVG: 1059000 -1.63203 10.72 4.6222 10.72 2.08897 26.0232 4.62217 26.0231 19.6947 GPRESSAVG: 1059000 -2.90865 9.73457 4.42681 12.6968 3.0186 26.623 4.20699 24.8054 20.3673 TIMING: 1059000 CPU: 3410.64, 0.00314377/step Wall: 3410.64, 0.00314377/step, 3.44156 hours remaining, 230.308594 MB of memory in use. ENERGY: 1059000 4046.3332 20730.3057 14507.4301 259.1297 -203679.8539 2752.0496 0.0000 0.0000 52006.0170 -109378.5886 298.8793 -161384.6056 -109022.9735 300.1533 -2.8534 25.1220 759389.5172 6.7172 6.8258 PRESSURE: 1059200 -205.588 -102.202 33.9761 -102.201 112.1 -58.1134 33.9763 -58.1138 -100.153 GPRESSURE: 1059200 -104.558 -176.609 106.766 -139.904 66.1759 -53.6906 -41.9071 86.3999 -62.2459 PRESSAVG: 1059200 -64.8696 -40.7228 19.9547 -40.7228 75.7761 -15.5625 19.9546 -15.5626 -3.97565 GPRESSAVG: 1059200 -63.5806 -39.8656 19.9004 -42.479 74.8589 -15.6018 19.0588 -14.7603 -4.44676 TIMING: 1059200 CPU: 3411.27, 0.00318862/step Wall: 3411.27, 0.00318862/step, 3.49047 hours remaining, 230.308594 MB of memory in use. ENERGY: 1059200 3963.9274 20504.9240 14421.8089 236.9576 -203429.7571 2458.0307 0.0000 0.0000 52187.6265 -109656.4821 299.9230 -161844.1086 -109290.6281 299.2514 -64.5470 -33.5426 761367.8373 2.3103 2.2772 PRESSURE: 1059400 -42.1645 -35.5456 -158.072 -35.5459 -91.2883 -32.5164 -158.073 -32.5169 -21.2756 GPRESSURE: 1059400 -37.9309 -12.7834 -234.205 -135.333 -17.3581 53.6579 -160.334 -150.557 -17.3197 PRESSAVG: 1059400 -49.4874 -38.7939 15.064 -38.7939 47.9856 17.6715 15.064 17.6716 4.2801 GPRESSAVG: 1059400 -51.1488 -40.4541 17.1424 -38.6956 50.0579 15.8612 14.6432 18.3051 4.13145 TIMING: 1059400 CPU: 3411.91, 0.00316034/step Wall: 3411.91, 0.00316034/step, 3.45934 hours remaining, 230.308594 MB of memory in use. ENERGY: 1059400 3975.6570 20507.9601 14569.9348 253.3115 -203130.1244 2433.5539 0.0000 0.0000 51645.6122 -109744.0949 296.8080 -161389.7071 -109377.4281 299.1143 -51.5762 -24.2029 761439.3547 0.9261 1.0135 PRESSURE: 1059600 -279.561 -20.61 -223.897 -20.611 -534.027 -60.1179 -223.898 -60.1175 -58.289 GPRESSURE: 1059600 -228.441 -40.8657 -228.603 -12.9737 -531.147 -28.6259 -253.991 -83.7848 -23.9163 PRESSAVG: 1059600 -11.0408 -66.7471 -13.2997 -66.7471 8.05814 -27.3443 -13.2997 -27.3444 13.8364 GPRESSAVG: 1059600 -10.6644 -65.2341 -15.5789 -66.7983 6.03238 -25.1606 -13.3244 -29.7693 14.7412 TIMING: 1059600 CPU: 3412.54, 0.00318648/step Wall: 3412.54, 0.00318648/step, 3.48778 hours remaining, 230.308594 MB of memory in use. ENERGY: 1059600 3918.0303 20376.6979 14539.3074 237.8815 -202976.3545 2045.4250 0.0000 0.0000 52051.2381 -109807.7744 299.1392 -161859.0125 -109433.8562 298.6966 -290.6256 -261.1683 762002.4835 3.6179 3.3697 PRESSURE: 1059800 -33.1752 -6.94237 157.057 -6.94234 -111.87 103.834 157.056 103.835 24.2201 GPRESSURE: 1059800 48.3385 113.62 164.92 88.5066 -117.554 93.1932 108.23 58.0295 37.7804 PRESSAVG: 1059800 -14.3076 -20.5364 -5.76081 -20.5365 0.74452 -10.1076 -5.7608 -10.1076 -2.65689 GPRESSAVG: 1059800 -12.988 -19.248 -4.80431 -19.6477 0.580512 -10.0009 -4.72108 -9.66819 -3.16379 TIMING: 1059800 CPU: 3413.18, 0.00318622/step Wall: 3413.18, 0.00318622/step, 3.48732 hours remaining, 230.308594 MB of memory in use. ENERGY: 1059800 4012.3895 20467.4353 14494.9821 270.4584 -203885.6859 2825.3519 0.0000 0.0000 52112.3804 -109702.6882 299.4906 -161815.0686 -109350.2148 298.7576 -40.2750 -10.4782 761939.2750 -5.4067 -5.1904 PRESSURE: 1060000 72.438 -38.5952 155.659 -38.5954 -105.296 84.1976 155.66 84.197 186.243 GPRESSURE: 1060000 14.7357 -62.3794 191.34 -127.816 1.74374 37.7455 72.5852 93.1208 223.677 PRESSAVG: 1060000 -41.0564 -42.1247 -4.01906 -42.1246 -8.16691 55.7879 -4.01904 55.7879 4.10099 GPRESSAVG: 1060000 -41.184 -46.8371 -4.38213 -41.8203 -7.52142 55.4533 -2.62728 56.2374 3.67106 TIMING: 1060000 CPU: 3413.82, 0.00317933/step Wall: 3413.82, 0.00317933/step, 3.4796 hours remaining, 230.308594 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: 1060000 3964.0660 20456.0740 14505.2569 215.8843 -203286.3035 2494.4294 0.0000 0.0000 52051.1844 -109599.4085 299.1389 -161650.5929 -109240.7599 298.8142 51.1283 80.0521 761075.0345 -15.0408 -15.0115 PRESSURE: 1060200 -64.3498 -220.107 -53.5724 -220.108 -91.6654 35.8207 -53.5718 35.8211 -1.20775 GPRESSURE: 1060200 0.783308 -238.478 -70.9475 -290.38 -70.101 -7.34888 24.4615 98.3875 -8.04142 PRESSAVG: 1060200 -34.3204 -52.6744 31.8664 -52.6745 41.4937 -20.0766 31.8665 -20.0766 -1.19118 GPRESSAVG: 1060200 -34.8578 -48.3487 31.1123 -53.1769 41.6643 -20.9544 30.0211 -20.2148 -1.15052 TIMING: 1060200 CPU: 3414.45, 0.00316927/step Wall: 3414.45, 0.00316927/step, 3.46841 hours remaining, 230.308594 MB of memory in use. ENERGY: 1060200 3974.1628 20617.7178 14457.7121 240.3709 -203024.8601 2309.4254 0.0000 0.0000 52083.3351 -109342.1360 299.3236 -161425.4712 -108986.7399 299.4625 -52.4076 -25.7864 760104.8890 1.9940 1.8853 LDB: ============= START OF LOAD BALANCING ============== 3426.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3426.87 LDB: =============== DONE WITH MIGRATION ================ 3426.88 LDB: ============= START OF LOAD BALANCING ============== 3427.19 LDB: Largest compute 7024 load 0.035286 is 18.1% of average load 0.195445 LDB: Average compute 0.004418 is 2.3% of average load 0.195445 LDB: TIME 3427.2 LOAD: AVG 0.195445 MAX 0.210558 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3427.2 LOAD: AVG 0.195445 MAX 0.210558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: TIME 3427.2 LOAD: AVG 0.195445 MAX 0.210558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: ============== END OF LOAD BALANCING =============== 3427.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3427.2 PRESSURE: 1060400 -346.32 -207.355 58.2383 -207.355 188.745 -79.8626 58.2386 -79.8627 -187.094 GPRESSURE: 1060400 -215.293 -80.2141 130.037 -93.7585 136.432 -166.57 -16.7575 41.3992 -163.508 PRESSAVG: 1060400 -58.2441 -73.7635 16.3826 -73.7635 67.8735 28.3894 16.3825 28.3894 -13.4402 GPRESSAVG: 1060400 -56.7793 -74.7507 16.318 -73.0294 66.168 28.5693 18.4279 28.0168 -12.6664 TIMING: 1060400 CPU: 3415.1, 0.00323267/step Wall: 3415.1, 0.00323267/step, 3.53762 hours remaining, 232.359375 MB of memory in use. ENERGY: 1060400 3979.2138 20435.6944 14489.9763 242.2452 -203145.9197 2350.1888 0.0000 0.0000 52112.2386 -109536.3627 299.4898 -161648.6013 -109175.2822 299.4240 -114.8897 -80.7898 760282.0649 -1.2703 -1.0926 PRESSURE: 1060600 68.4207 -335.889 -75.4524 -335.889 -270.295 171.711 -75.4523 171.71 -284.093 GPRESSURE: 1060600 58.6557 -276.903 -121.159 -382.825 -153.216 223.71 -48.6875 94.1106 -290.766 PRESSAVG: 1060600 -47.1272 -70.5344 2.14129 -70.5344 43.9637 0.750153 2.1413 0.750191 -9.26553 GPRESSAVG: 1060600 -47.4077 -68.7956 3.58391 -72.6253 46.3141 0.964504 -1.3603 2.25519 -10.2785 TIMING: 1060600 CPU: 3415.73, 0.00317033/step Wall: 3415.73, 0.00317034/step, 3.46923 hours remaining, 232.429688 MB of memory in use. ENERGY: 1060600 4021.7582 20370.1401 14529.9204 255.9226 -203289.9766 2512.8958 0.0000 0.0000 52070.4930 -109528.8465 299.2498 -161599.3395 -109163.0681 299.5325 -161.9889 -128.4421 760243.5751 -4.1430 -3.7907 PRESSURE: 1060800 150.486 -47.6654 -133.99 -47.6654 224.288 151.554 -133.989 151.554 281.412 GPRESSURE: 1060800 176.195 -68.9262 -158.631 -157.359 247.597 131.234 -44.3596 67.7332 318.075 PRESSAVG: 1060800 -36.1782 -66.5435 35.1217 -66.5435 63.3794 -18.004 35.1216 -18.004 21.6649 GPRESSAVG: 1060800 -35.699 -69.9174 34.4747 -63.8201 62.3818 -17.0218 35.9575 -17.3112 21.8628 TIMING: 1060800 CPU: 3416.36, 0.0031489/step Wall: 3416.36, 0.0031489/step, 3.44559 hours remaining, 232.429688 MB of memory in use. ENERGY: 1060800 3951.0280 20596.2232 14561.6542 245.9257 -203577.4636 2651.7973 0.0000 0.0000 52089.6254 -109481.2096 299.3598 -161570.8351 -109114.8075 299.3428 218.7286 247.2890 759328.5667 16.2887 16.1819 PRESSURE: 1061000 -225.879 16.7367 -222.929 16.7359 -59.1003 -141.541 -222.928 -141.542 147.329 GPRESSURE: 1061000 -220.306 -165.384 -250.585 -22.3757 5.75973 -161.482 -196.491 -102.691 152.322 PRESSAVG: 1061000 -61.5648 -109.653 29.3479 -109.653 35.7403 35.7234 29.348 35.7234 -4.34607 GPRESSAVG: 1061000 -63.5143 -109.436 28.7378 -110.529 37.2278 33.674 32.5191 37.7721 -3.70221 TIMING: 1061000 CPU: 3416.99, 0.00316354/step Wall: 3416.99, 0.00316354/step, 3.46145 hours remaining, 232.429688 MB of memory in use. ENERGY: 1061000 3918.3928 20621.0231 14525.9027 254.9016 -202796.1440 1942.6605 0.0000 0.0000 52155.6398 -109377.6236 299.7392 -161533.2634 -109009.9413 300.0772 -45.8833 -20.7413 761387.1656 -10.0569 -9.9962 PRESSURE: 1061200 70.7888 13.9281 98.8903 13.9287 88.223 199.072 98.8893 199.07 320.184 GPRESSURE: 1061200 133.63 -23.5761 188.172 -8.33064 67.3303 113.817 127.321 249.405 377.353 PRESSAVG: 1061200 -15.2014 -15.7704 13.3674 -15.7704 18.3278 16.646 13.3674 16.646 10.7021 GPRESSAVG: 1061200 -14.7326 -16.8848 14.1855 -14.052 18.6363 17.3362 11.3324 14.7891 10.2226 TIMING: 1061200 CPU: 3417.63, 0.00316567/step Wall: 3417.63, 0.00316567/step, 3.4636 hours remaining, 232.429688 MB of memory in use. ENERGY: 1061200 4014.9303 20580.5917 14562.3000 230.4553 -203045.5513 2114.0560 0.0000 0.0000 52190.1771 -109353.0410 299.9377 -161543.2180 -108985.7782 299.9735 159.7320 192.7710 758118.2413 4.6095 4.7088 PRESSURE: 1061400 162.244 -202.542 -121.123 -202.542 78.0653 -28.5677 -121.124 -28.5678 -4.52961 GPRESSURE: 1061400 214.964 -273.676 -140.263 -149.844 99.6433 19.1318 -114.53 -40.8609 4.82351 PRESSAVG: 1061400 -31.3778 -63.9655 -45.3332 -63.9655 -4.50895 25.625 -45.3333 25.625 -4.41966 GPRESSAVG: 1061400 -30.7864 -61.7488 -44.656 -66.0558 -5.6834 27.5976 -46.3193 24.3852 -3.63649 TIMING: 1061400 CPU: 3418.26, 0.00316641/step Wall: 3418.26, 0.00316641/step, 3.46422 hours remaining, 232.429688 MB of memory in use. ENERGY: 1061400 3955.6625 20418.2713 14419.3152 240.5964 -203454.4022 2498.0449 0.0000 0.0000 52151.2429 -109771.2690 299.7139 -161922.5119 -109408.0564 299.0410 78.5934 106.4770 758588.6045 -13.4355 -13.3688 PRESSURE: 1061600 -427.925 10.8802 192.122 10.8807 -256.614 185.943 192.122 185.943 -407.969 GPRESSURE: 1061600 -376.35 22.9854 276.906 -52.6393 -163.621 227.624 131.012 272.248 -465.626 PRESSAVG: 1061600 -51.0598 9.99804 -42.5802 9.99803 53.6106 61.3899 -42.5801 61.3898 18.0585 GPRESSAVG: 1061600 -51.2962 9.58538 -44.1062 9.66695 54.5182 60.3906 -40.4282 60.6279 18.1663 TIMING: 1061600 CPU: 3418.89, 0.0031658/step Wall: 3418.89, 0.0031658/step, 3.46339 hours remaining, 232.429688 MB of memory in use. ENERGY: 1061600 3977.3902 20451.9480 14562.8720 252.9721 -202841.4437 2126.1694 0.0000 0.0000 51853.6388 -109616.4532 298.0036 -161470.0920 -109248.3857 298.9542 -364.1695 -335.1988 759964.0710 6.8698 7.1294 PRESSURE: 1061800 -257.314 206.02 -122.962 206.02 285.12 -165.536 -122.963 -165.535 -12.38 GPRESSURE: 1061800 -166.236 129.452 -130.562 181.766 252.13 -3.53882 -187.394 -75.7818 16.5648 PRESSAVG: 1061800 -42.4952 1.75355 1.14838 1.75359 55.8458 21.5162 1.14837 21.5162 -12.8195 GPRESSAVG: 1061800 -41.4496 0.269988 2.29364 2.94087 55.0908 21.978 -2.76659 23.8045 -12.9984 TIMING: 1061800 CPU: 3419.53, 0.00317605/step Wall: 3419.53, 0.00317605/step, 3.47443 hours remaining, 232.429688 MB of memory in use. ENERGY: 1061800 4017.9348 20531.4035 14507.4456 241.2482 -203685.3304 2620.7224 0.0000 0.0000 52203.6953 -109562.8805 300.0154 -161766.5758 -109201.7017 299.6857 5.1422 34.1527 760033.7642 0.1770 0.2142 PRESSURE: 1062000 -197.671 149.529 94.7396 149.53 -158.415 98.2063 94.7392 98.2079 -163.016 GPRESSURE: 1062000 -101.148 62.1461 53.1661 173.32 -207.877 97.6217 147.795 154.426 -109.925 PRESSAVG: 1062000 -9.93136 -8.85786 29.6535 -8.85781 18.9803 3.17067 29.6534 3.1707 -6.51005 GPRESSAVG: 1062000 -9.9343 -7.98176 28.4101 -7.65864 18.5204 2.8517 31.2241 1.17273 -6.42474 TIMING: 1062000 CPU: 3420.16, 0.00317407/step Wall: 3420.16, 0.00317407/step, 3.47208 hours remaining, 232.429688 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: 1062000 3962.3967 20496.5173 14438.5945 250.8471 -203206.9856 2379.9198 0.0000 0.0000 51983.8211 -109694.8892 298.7517 -161678.7103 -109328.7631 298.4199 -173.0339 -139.6500 761809.7463 0.8463 0.7205 PRESSURE: 1062200 -169.155 -71.6118 -52.4731 -71.6117 227.909 -139.308 -52.4724 -139.309 -263.874 GPRESSURE: 1062200 -107.729 -156.59 -61.4684 -62.0384 205.092 -144.501 -146.727 -121.362 -221.073 PRESSAVG: 1062200 -10.2473 -6.73391 -12.1864 -6.73386 18.8847 -12.9467 -12.1864 -12.9467 10.7409 GPRESSAVG: 1062200 -10.8856 -7.26695 -10.1911 -9.23871 19.2964 -13.0029 -12.6547 -11.7133 10.6365 TIMING: 1062200 CPU: 3420.79, 0.00315248/step Wall: 3420.79, 0.00315248/step, 3.44829 hours remaining, 232.429688 MB of memory in use. ENERGY: 1062200 4017.3839 20451.9625 14519.5431 236.0799 -203288.3118 2459.8049 0.0000 0.0000 52103.7349 -109499.8026 299.4409 -161603.5376 -109138.7625 299.0620 -68.3734 -41.2370 760510.5438 6.4594 6.3491 PRESSURE: 1062400 128.057 144.677 24.3754 144.676 -312.197 254.522 24.3748 254.522 164.294 GPRESSURE: 1062400 93.3019 87.8275 15.0567 162.061 -167.126 219.668 48.0854 178.806 133.382 PRESSAVG: 1062400 11.0191 43.497 -17.3258 43.4969 -16.2419 -5.4843 -17.3258 -5.48426 -2.03965 GPRESSAVG: 1062400 10.6951 42.9309 -18.2959 44.2247 -15.6125 -4.70742 -13.6993 -6.49653 -1.9527 TIMING: 1062400 CPU: 3421.43, 0.00315724/step Wall: 3421.43, 0.00315724/step, 3.45332 hours remaining, 232.429688 MB of memory in use. ENERGY: 1062400 3943.3080 20410.3219 14415.3621 253.9662 -203447.6667 2638.3000 0.0000 0.0000 52104.2408 -109682.1677 299.4438 -161786.4085 -109313.1531 299.2524 -6.6150 19.8528 758923.7899 -2.4208 -2.2900 PRESSURE: 1062600 -28.3594 66.9438 -137.479 66.9441 -128.299 139.207 -137.478 139.209 232.332 GPRESSURE: 1062600 30.5235 217.918 -204.245 -18.4748 -165.073 249.318 -10.5139 84.0854 305.763 PRESSAVG: 1062600 50.3833 7.43428 26.6748 7.4343 -13.8935 21.0315 26.6747 21.0315 -12.6565 GPRESSAVG: 1062600 50.4601 7.31652 26.7846 7.66423 -13.2982 22.0629 23.9906 21.1644 -13.0844 TIMING: 1062600 CPU: 3422.06, 0.00316532/step Wall: 3422.06, 0.00316532/step, 3.46198 hours remaining, 232.429688 MB of memory in use. ENERGY: 1062600 3874.1386 20461.0167 14506.3646 243.8276 -203448.0855 2435.5577 0.0000 0.0000 52454.3842 -109472.7960 301.4561 -161927.1802 -109100.2707 299.3525 25.2244 57.0712 759463.7384 7.9444 8.0258 PRESSURE: 1062800 -36.5591 -148.205 81.8747 -148.206 10.858 199.218 81.8742 199.218 -205.69 GPRESSURE: 1062800 12.2629 -168.013 112.568 -32.4691 -10.1494 248.849 9.0565 247.005 -161.511 PRESSAVG: 1062800 -16.1206 -60.5759 17.2922 -60.5759 36.5008 41.5527 17.2921 41.5527 16.1419 GPRESSAVG: 1062800 -17.2447 -60.5641 18.217 -61.2545 36.7013 40.6477 18.2089 40.4898 16.2349 TIMING: 1062800 CPU: 3422.69, 0.00317226/step Wall: 3422.69, 0.00317226/step, 3.4694 hours remaining, 232.429688 MB of memory in use. ENERGY: 1062800 3989.5025 20449.9602 14423.7591 246.9980 -202891.1532 2108.4950 0.0000 0.0000 52019.2418 -109653.1966 298.9553 -161672.4385 -109300.2628 299.2377 -77.1303 -53.1326 756955.1118 12.1740 11.8972 PRESSURE: 1063000 105.414 -163.083 -170.948 -163.082 -248.835 -235.438 -170.949 -235.44 -247.579 GPRESSURE: 1063000 182.448 -143.736 -218.663 -146.813 -256.594 -160.922 -133.997 -298.297 -240.619 PRESSAVG: 1063000 -14.7155 -100.674 71.3544 -100.674 40.2983 14.273 71.3543 14.273 18.6977 GPRESSAVG: 1063000 -13.0953 -98.8258 70.181 -99.6947 39.786 14.3502 70.74 14.2977 17.7617 TIMING: 1063000 CPU: 3423.33, 0.00318903/step Wall: 3423.33, 0.00318903/step, 3.48755 hours remaining, 232.429688 MB of memory in use. ENERGY: 1063000 4007.0356 20451.4025 14540.8914 245.9444 -202863.1985 2104.8869 0.0000 0.0000 52131.0479 -109381.9899 299.5978 -161513.0378 -109017.0475 299.8703 -130.3336 -104.9217 760156.1122 14.7601 14.8175 PRESSURE: 1063200 -205.888 164.901 112.088 164.901 -87.2389 -163.438 112.089 -163.437 -468.488 GPRESSURE: 1063200 -159.312 107.193 56.1458 93.6632 -60.4228 -148.95 145.35 -110.926 -462.919 PRESSAVG: 1063200 -10.5481 -19.6513 7.85295 -19.6512 25.0162 -23.8831 7.85295 -23.8831 -17.68 GPRESSAVG: 1063200 -10.423 -21.5585 8.70477 -20.4065 24.8627 -24.8032 7.91497 -22.6871 -17.5909 TIMING: 1063200 CPU: 3423.97, 0.00317675/step Wall: 3423.97, 0.00317675/step, 3.47395 hours remaining, 232.429688 MB of memory in use. ENERGY: 1063200 4008.5217 20542.6994 14534.6212 250.0680 -203088.6276 2225.2660 0.0000 0.0000 52136.2675 -109391.1837 299.6278 -161527.4512 -109026.8635 299.5921 -253.8716 -227.5511 760395.6482 -1.0706 -1.0504 PRESSURE: 1063400 125.603 -16.9088 226.157 -16.9085 174.065 87.4347 226.156 87.4357 -41.2276 GPRESSURE: 1063400 203.025 -32.7678 267.632 8.82865 196.989 16.001 260.838 54.7855 -50.2589 PRESSAVG: 1063400 -28.7121 -52.0014 93.8125 -52.0014 34.0339 -12.6698 93.8125 -12.6698 9.18244 GPRESSAVG: 1063400 -29.9098 -49.6092 92.618 -51.8447 33.8116 -12.7709 94.5486 -12.7285 10.2269 TIMING: 1063400 CPU: 3424.6, 0.00317776/step Wall: 3424.6, 0.00317776/step, 3.47488 hours remaining, 232.429688 MB of memory in use. ENERGY: 1063400 4041.0189 20375.5047 14513.0748 228.9456 -203250.6598 2565.5179 0.0000 0.0000 52007.0579 -109519.5401 298.8853 -161526.5980 -109156.1110 299.4361 86.1467 116.5851 760601.6215 4.8348 4.7095 PRESSURE: 1063600 176.268 241.562 219.321 241.562 324.911 158.549 219.321 158.55 353.54 GPRESSURE: 1063600 137.412 238.876 257.227 311.294 329.235 177.749 173.355 159.606 441.623 PRESSAVG: 1063600 -11.1322 -22.9807 23.145 -22.9807 -14.4757 12.5973 23.145 12.5973 -6.64262 GPRESSAVG: 1063600 -11.8948 -25.6872 24.9821 -22.0345 -13.4017 13.2405 22.1007 10.2797 -6.87674 TIMING: 1063600 CPU: 3425.24, 0.00320724/step Wall: 3425.24, 0.00320724/step, 3.50693 hours remaining, 232.429688 MB of memory in use. ENERGY: 1063600 3966.4065 20481.0006 14498.8639 248.9881 -203428.4150 2505.1812 0.0000 0.0000 51897.2627 -109830.7121 298.2543 -161727.9748 -109457.0426 298.7918 284.9064 302.7565 759322.2606 -10.7502 -10.7244 PRESSURE: 1063800 9.82509 -87.6443 -160.287 -87.6438 -410.989 -307.285 -160.287 -307.285 -204.199 GPRESSURE: 1063800 24.7255 -146.742 -129.985 -9.33348 -361.504 -339.391 -119.54 -126.792 -199.783 PRESSAVG: 1063800 -1.86782 -16.4445 13.3439 -16.4446 -17.5195 26.7481 13.3439 26.748 7.56811 GPRESSAVG: 1063800 -0.991008 -14.5739 12.9669 -16.6184 -16.9494 25.8066 13.2157 30.9622 5.99775 TIMING: 1063800 CPU: 3425.88, 0.00317982/step Wall: 3425.88, 0.00317982/step, 3.47678 hours remaining, 232.429688 MB of memory in use. ENERGY: 1063800 4015.8288 20502.1278 14467.5796 243.1299 -203208.1231 2213.7791 0.0000 0.0000 51889.5622 -109876.1158 298.2100 -161765.6780 -109526.9739 298.5798 -201.7880 -178.8538 763098.1831 -3.9397 -3.9809 PRESSURE: 1064000 101.024 95.7324 76.8442 95.7317 -125.736 -162.026 76.845 -162.027 109.056 GPRESSURE: 1064000 56.9907 155.475 44.0427 41.3267 -28.8552 -267.988 25.5963 -96.6251 130.718 PRESSAVG: 1064000 -20.1968 -13.8654 -27.4134 -13.8654 -5.39267 3.51293 -27.4134 3.513 3.80489 GPRESSAVG: 1064000 -19.9793 -17.0009 -29.4574 -15.5679 -5.65254 3.32703 -26.9421 1.76 4.05919 TIMING: 1064000 CPU: 3426.51, 0.00315529/step Wall: 3426.51, 0.00315529/step, 3.44979 hours remaining, 232.429688 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: 1064000 4007.7337 20416.5454 14432.2316 252.2805 -203272.5138 2304.8237 0.0000 0.0000 51889.9170 -109968.9819 298.2121 -161858.8989 -109620.9444 297.9345 28.1143 52.9513 760496.6272 -7.2615 -7.1909 PRESSURE: 1064200 -298.804 -64.3986 -62.7113 -64.3984 -376.129 80.697 -62.7111 80.6968 177.056 GPRESSURE: 1064200 -324.817 -87.6482 -21.1024 -13.9215 -201.152 108.356 -2.35108 164.391 108.981 PRESSAVG: 1064200 9.89646 -29.4892 46.2719 -29.4892 29.1611 14.4397 46.2719 14.4397 -22.5174 GPRESSAVG: 1064200 10.4393 -26.8379 48.2116 -29.1003 29.9734 14.5719 46.7035 13.8731 -23.603 TIMING: 1064200 CPU: 3427.14, 0.00312748/step Wall: 3427.14, 0.00312748/step, 3.4192 hours remaining, 232.429688 MB of memory in use. ENERGY: 1064200 3976.1344 20409.2125 14529.1314 265.5428 -203204.6658 2275.2721 0.0000 0.0000 51891.5316 -109857.8411 298.2213 -161749.3727 -109489.3205 298.4545 -165.9588 -138.9959 760841.1723 5.5134 5.6032 LDB: ============= START OF LOAD BALANCING ============== 3439.56 LDB: ============== END OF LOAD BALANCING =============== 3439.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3439.56 LDB: ============= START OF LOAD BALANCING ============== 3439.87 LDB: Largest compute 7024 load 0.035208 is 18.0% of average load 0.195455 LDB: Average compute 0.004406 is 2.3% of average load 0.195455 LDB: TIME 3439.88 LOAD: AVG 0.195455 MAX 0.212991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.297 MB LDB: TIME 3439.88 LOAD: AVG 0.195455 MAX 0.212991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.43 MB LDB: TIME 3439.88 LOAD: AVG 0.195455 MAX 0.212991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.43 MB LDB: ============== END OF LOAD BALANCING =============== 3439.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3439.88 PRESSURE: 1064400 321.184 134.565 -140.642 134.565 -259.792 -40.7327 -140.642 -40.7334 -69.2401 GPRESSURE: 1064400 256.932 156.251 -158.088 22.4709 -190.252 26.1338 -80.3794 -120.325 -9.87806 PRESSAVG: 1064400 -12.3531 -44.1712 -2.83488 -44.1712 -0.748707 -75.5676 -2.83493 -75.5675 -20.7894 GPRESSAVG: 1064400 -12.516 -45.178 -4.47474 -44.1012 -1.84644 -75.3692 -1.78471 -75.7574 -19.1379 TIMING: 1064400 CPU: 3427.78, 0.0032148/step Wall: 3427.78, 0.0032148/step, 3.51449 hours remaining, 232.101562 MB of memory in use. ENERGY: 1064400 3887.8287 20444.9463 14563.3047 232.6450 -203277.9969 2425.2624 0.0000 0.0000 51904.8244 -109819.1854 298.2977 -161724.0098 -109461.8977 298.0838 -2.6160 18.9341 760564.3476 -11.2971 -11.1668 PRESSURE: 1064600 5.78857 81.7042 -48.02 81.7043 -352.881 61.3877 -48.0204 61.3869 6.56946 GPRESSURE: 1064600 -52.7644 0.876114 17.2665 120.129 -181.517 68.2266 -57.3163 23.7641 -16.3053 PRESSAVG: 1064600 42.7942 -14.4786 -5.90358 -14.4785 -49.2541 -6.14536 -5.90357 -6.14534 11.9856 GPRESSAVG: 1064600 42.5578 -14.7531 -4.10578 -14.1408 -48.5589 -6.57807 -8.2225 -7.48666 11.0386 TIMING: 1064600 CPU: 3428.41, 0.00317252/step Wall: 3428.41, 0.00317252/step, 3.46809 hours remaining, 232.484375 MB of memory in use. ENERGY: 1064600 3978.5741 20471.2692 14480.2826 233.7526 -203204.2472 2171.8222 0.0000 0.0000 52259.8430 -109608.7036 300.3380 -161868.5465 -109242.8977 298.9911 -113.5075 -83.5290 760608.5685 1.8419 1.6792 PRESSURE: 1064800 109.625 -79.0885 83.8579 -79.0879 -43.8797 -145.465 83.8575 -145.464 283.283 GPRESSURE: 1064800 219.299 -68.6589 118.74 -95.5953 -48.2916 -103.529 -10.2526 -103.889 294.83 PRESSAVG: 1064800 -1.70536 -49.6266 -19.913 -49.6266 -18.6694 28.1649 -19.913 28.1649 17.1708 GPRESSAVG: 1064800 -1.58009 -49.8277 -21.0106 -50.118 -19.2963 27.7909 -21.2217 30.2681 18.1282 TIMING: 1064800 CPU: 3429.05, 0.00317758/step Wall: 3429.05, 0.00317758/step, 3.47344 hours remaining, 232.484375 MB of memory in use. ENERGY: 1064800 3906.2151 20328.1933 14508.4161 232.6210 -203738.3767 2740.2713 0.0000 0.0000 52220.9785 -109801.6814 300.1147 -162022.6599 -109435.2818 299.3472 116.3430 155.2791 760791.5512 -1.0680 -0.9161 PRESSURE: 1065000 -86.6088 -175.287 -216.787 -175.287 32.363 8.83982 -216.787 8.84028 -140.594 GPRESSURE: 1065000 -32.4401 -171.186 -180.075 -258.849 13.8324 -16.6164 -98.071 15.7726 -94.6487 PRESSAVG: 1065000 -79.1222 8.01578 -12.5952 8.01581 68.6514 -10.9907 -12.5952 -10.9907 1.09704 GPRESSAVG: 1065000 -77.6448 6.90733 -11.2967 9.5508 67.8266 -10.6545 -11.7887 -11.5307 -0.47682 TIMING: 1065000 CPU: 3429.68, 0.00317045/step Wall: 3429.68, 0.00317045/step, 3.46548 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065000 4003.5280 20503.6567 14539.7806 255.7901 -203577.3986 2640.7809 0.0000 0.0000 51786.8258 -109847.0366 297.6196 -161633.8624 -109484.7559 298.8354 -64.9465 -37.7521 761906.8571 -3.1246 -3.4317 PRESSURE: 1065200 -91.7046 -185.326 -106.062 -185.327 144.722 -235.871 -106.062 -235.871 -202.64 GPRESSURE: 1065200 -45.2183 -223.916 -104.634 -302.675 92.6923 -137.272 -105.896 -230.377 -98.7537 PRESSAVG: 1065200 -29.0639 -26.1917 3.32693 -26.1916 15.5428 -58.517 3.32695 -58.517 -6.08476 GPRESSAVG: 1065200 -29.5649 -23.9388 1.2351 -26.7104 16.0885 -57.6363 4.49387 -59.8013 -5.31035 TIMING: 1065200 CPU: 3430.32, 0.00316607/step Wall: 3430.32, 0.00316607/step, 3.46051 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065200 4003.6953 20406.1029 14560.3702 251.9620 -203732.4045 2566.0465 0.0000 0.0000 52172.8177 -109771.4099 299.8379 -161944.2276 -109398.0856 298.7495 -49.8742 -17.0932 760602.4460 -6.5353 -6.2623 PRESSURE: 1065400 -166.971 -97.0176 -33.3785 -97.0174 -134.25 -216.729 -33.3783 -216.728 -58.1183 GPRESSURE: 1065400 -172.248 -191.23 3.98854 -35.8248 -110.69 -198.635 -150.961 -178.01 7.079 PRESSAVG: 1065400 -24.7091 -75.3139 -41.7224 -75.3139 57.0939 -42.5818 -41.7224 -42.5818 14.3537 GPRESSAVG: 1065400 -24.7759 -75.6534 -42.0475 -73.5233 56.434 -42.3685 -42.3937 -40.6824 14.9384 TIMING: 1065400 CPU: 3430.95, 0.00316768/step Wall: 3430.95, 0.00316768/step, 3.46209 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065400 4011.8735 20638.2516 14549.7642 245.8247 -203694.5365 2528.1487 0.0000 0.0000 52137.0926 -109583.5811 299.6326 -161720.6737 -109228.8771 299.4774 -119.7799 -91.9528 761626.6591 15.5795 15.5322 PRESSURE: 1065600 230.616 -22.1093 -335.967 -22.1088 71.6445 -14.3325 -335.967 -14.333 -107.424 GPRESSURE: 1065600 259.308 -48.7143 -293.443 -166.448 167.451 72.6302 -329.268 40.8562 -136.302 PRESSAVG: 1065600 -48.8064 -40.6855 -48.5502 -40.6855 38.0385 -27.1379 -48.5502 -27.1379 13.8342 GPRESSAVG: 1065600 -49.6452 -42.417 -47.3433 -42.4718 39.8667 -29.4014 -49.4959 -26.6498 13.3025 TIMING: 1065600 CPU: 3431.58, 0.00316067/step Wall: 3431.58, 0.00316067/step, 3.45426 hours remaining, 232.566406 MB of memory in use. ENERGY: 1065600 3938.5680 20686.9953 14504.4213 242.6982 -203629.9130 2554.6035 0.0000 0.0000 52105.7398 -109596.8869 299.4524 -161702.6266 -109237.0227 299.1668 64.9456 96.8190 762328.9001 1.0221 1.1747 PRESSURE: 1065800 -294.413 117.253 -135.288 117.253 358.465 0.418223 -135.288 0.417498 -145.663 GPRESSURE: 1065800 -200.571 69.6359 -124.591 142.975 281.468 1.17451 3.85197 -213.238 -87.5008 PRESSAVG: 1065800 12.9804 -82.814 -7.79966 -82.814 64.9018 -24.5018 -7.79965 -24.5018 -6.26025 GPRESSAVG: 1065800 14.5271 -82.2177 -6.37804 -81.5619 64.1308 -21.7723 -8.86993 -27.1745 -6.55261 TIMING: 1065800 CPU: 3432.21, 0.00316623/step Wall: 3432.21, 0.00316623/step, 3.46016 hours remaining, 232.566406 MB of memory in use. ENERGY: 1065800 4005.2858 20609.9930 14525.2510 242.3598 -203639.2164 2750.5184 0.0000 0.0000 51936.4775 -109569.3309 298.4797 -161505.8084 -109210.1089 299.1808 -27.2036 -2.2015 761411.8861 23.8740 24.0351 PRESSURE: 1066000 -0.14774 -51.1653 94.8439 -51.1646 -200.968 113.796 94.8443 113.795 -157.356 GPRESSURE: 1066000 73.5959 29.5582 49.7229 72.045 -133.963 139.278 66.771 2.16641 -207.925 PRESSAVG: 1066000 -10.0843 -30.5014 -14.0136 -30.5013 6.67782 -33.8834 -14.0135 -33.8834 0.550029 GPRESSAVG: 1066000 -10.0258 -29.2729 -15.8753 -32.2694 6.90895 -35.0688 -11.8398 -34.4148 0.456619 TIMING: 1066000 CPU: 3432.85, 0.00318669/step Wall: 3432.85, 0.00318669/step, 3.48235 hours remaining, 232.566406 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: 1066000 4036.7263 20504.8379 14490.6016 225.6437 -203490.7365 2549.8086 0.0000 0.0000 52185.2274 -109497.8911 299.9092 -161683.1184 -109132.6848 298.8618 -119.4906 -89.4309 760112.3657 -0.9521 -0.8868 PRESSURE: 1066200 -57.0549 329.058 27.3793 329.058 -19.5387 -209.141 27.379 -209.142 -59.3347 GPRESSURE: 1066200 -101.742 346.282 -31.719 104.11 49.0888 -231.472 33.2847 -130.793 -7.07103 PRESSAVG: 1066200 -4.62554 18.8077 -28.6092 18.8077 -2.14699 -4.92779 -28.6092 -4.92768 11.8445 GPRESSAVG: 1066200 -5.81397 18.6443 -28.9039 19.2848 -0.336993 -3.86281 -28.5609 -2.94207 11.5067 TIMING: 1066200 CPU: 3433.49, 0.00317741/step Wall: 3433.49, 0.00317741/step, 3.47203 hours remaining, 232.566406 MB of memory in use. ENERGY: 1066200 3976.7876 20524.4917 14488.1504 237.7037 -203551.9284 2560.3444 0.0000 0.0000 52192.0024 -109572.4480 299.9482 -161764.4505 -109201.8363 299.3799 -45.3094 -19.9079 760717.9679 1.6907 1.7852 PRESSURE: 1066400 -60.1493 196.208 -163.116 196.209 -376.394 157.125 -163.115 157.125 -391.041 GPRESSURE: 1066400 -7.50169 185.146 -83.9061 184.143 -340.393 93.1996 15.5738 105.331 -375.816 PRESSAVG: 1066400 -34.5941 -27.2463 -30.1832 -27.2462 21.1379 -52.024 -30.1831 -52.0239 8.79946 GPRESSAVG: 1066400 -34.6994 -26.4729 -29.7865 -28.4654 19.3257 -53.8189 -29.2777 -51.3623 10.5532 TIMING: 1066400 CPU: 3434.13, 0.0031919/step Wall: 3434.13, 0.0031919/step, 3.48768 hours remaining, 232.566406 MB of memory in use. ENERGY: 1066400 3941.3143 20648.0513 14549.2657 249.0855 -202977.7434 2242.7000 0.0000 0.0000 51825.3100 -109522.0167 297.8408 -161347.3267 -109166.3673 299.3720 -275.8614 -241.2370 760492.2042 -1.5523 -1.6068 PRESSURE: 1066600 -123.652 -170.797 149.746 -170.797 30.6256 -32.7209 149.746 -32.7201 208.939 GPRESSURE: 1066600 -89.1571 -93.9673 180.846 -151.506 41.6185 -20.6797 127.144 83.2273 253.16 PRESSAVG: 1066600 -29.3278 -35.7574 21.9398 -35.7574 35.9687 0.224412 21.9399 0.224476 -14.0765 GPRESSAVG: 1066600 -28.0641 -36.3735 21.8285 -34.7654 35.5748 -0.611197 20.8396 3.43815 -15.2664 TIMING: 1066600 CPU: 3434.76, 0.00317111/step Wall: 3434.76, 0.00317111/step, 3.46479 hours remaining, 232.566406 MB of memory in use. ENERGY: 1066600 3996.1264 20527.3842 14499.7607 256.7965 -203155.1901 2310.5675 0.0000 0.0000 52101.1139 -109463.4409 299.4258 -161564.5548 -109100.2547 299.6819 38.6375 68.5404 759741.9814 -2.4786 -2.5852 PRESSURE: 1066800 -212.132 -20.7974 -317.247 -20.7981 -77.1063 267.857 -317.247 267.857 209.069 GPRESSURE: 1066800 -216.561 -88.8099 -353.669 -77.5519 44.797 288.691 -367.565 73.6189 190.519 PRESSAVG: 1066800 6.20028 -7.23162 30.9087 -7.23161 -46.6682 24.5618 30.9087 24.5619 21.3269 GPRESSAVG: 1066800 4.75986 -7.83171 30.0629 -6.08669 -46.5229 25.8529 30.7935 21.2575 22.3544 TIMING: 1066800 CPU: 3435.39, 0.00314936/step Wall: 3435.39, 0.00314936/step, 3.44086 hours remaining, 232.566406 MB of memory in use. ENERGY: 1066800 4011.3100 20634.4542 14474.4157 275.9205 -203498.2165 2756.3138 0.0000 0.0000 51885.1059 -109460.6963 298.1844 -161345.8022 -109088.3375 298.9151 -26.7228 6.2518 760084.2103 -6.3803 -6.4696 PRESSURE: 1067000 -364.778 -133.317 158.658 -133.317 9.79476 -212.745 158.658 -212.745 -50.8437 GPRESSURE: 1067000 -282.979 -33.4305 210.294 -40.3722 50.5961 -195.582 181.76 -187.694 -77.7542 PRESSAVG: 1067000 0.400119 -36.5484 36.634 -36.5484 15.7184 -28.0038 36.634 -28.0039 12.6286 GPRESSAVG: 1067000 0.0627494 -35.6238 38.1525 -36.6522 18.1754 -29.4332 36.4422 -27.7647 11.1855 TIMING: 1067000 CPU: 3436.02, 0.00315494/step Wall: 3436.02, 0.00315494/step, 3.44677 hours remaining, 232.566406 MB of memory in use. ENERGY: 1067000 3993.8448 20502.3731 14508.7059 262.1711 -203562.3273 2680.3363 0.0000 0.0000 52204.6669 -109410.2294 300.0209 -161614.8962 -109044.3743 299.6073 -135.2756 -103.3789 760465.0520 9.5824 9.8079 PRESSURE: 1067200 -65.7287 -28.7974 100.69 -28.7969 131.774 -39.9072 100.689 -39.9072 471.1 GPRESSURE: 1067200 40.8586 -70.0737 122.94 -178.704 96.516 -64.9635 15.4471 -24.8389 456.266 PRESSAVG: 1067200 -31.8284 -5.97719 92.8525 -5.97712 52.9709 -20.8089 92.8525 -20.8089 10.1379 GPRESSAVG: 1067200 -30.532 -4.59032 90.6687 -7.82714 51.0631 -20.126 94.7234 -21.9084 10.2122 TIMING: 1067200 CPU: 3436.65, 0.00314303/step Wall: 3436.65, 0.00314303/step, 3.43358 hours remaining, 232.566406 MB of memory in use. ENERGY: 1067200 4026.1101 20643.5885 14448.4018 238.9983 -203343.9090 2582.4545 0.0000 0.0000 51984.2396 -109420.1161 298.7541 -161404.3557 -109064.5464 299.5420 179.0486 197.8803 760284.9812 10.4268 10.2478 PRESSURE: 1067400 63.0408 34.2219 -15.6363 34.2219 55.6786 -1.94586 -15.636 -1.94585 172.846 GPRESSURE: 1067400 107.308 -55.2662 43.1103 75.047 118.112 -61.5637 -61.3075 -78.1425 170.185 PRESSAVG: 1067400 -11.1777 -44.1317 33.4858 -44.1317 -9.65053 -15.257 33.4857 -15.257 -5.61269 GPRESSAVG: 1067400 -10.9474 -45.5948 34.3727 -43.3797 -9.80897 -14.9875 32.7752 -15.5501 -4.59436 TIMING: 1067400 CPU: 3437.29, 0.00317848/step Wall: 3437.29, 0.00317848/step, 3.47214 hours remaining, 232.566406 MB of memory in use. ENERGY: 1067400 4034.1482 20606.8950 14529.7962 238.4431 -203557.0991 2570.5409 0.0000 0.0000 52050.6235 -109526.6522 299.1356 -161577.2757 -109162.2960 299.3528 97.1885 131.8684 760415.6721 -8.8136 -8.4502 PRESSURE: 1067600 -237.9 -205.729 -47.6601 -205.73 19.6854 -49.1882 -47.6606 -49.1896 -93.5713 GPRESSURE: 1067600 -216.502 -179.517 -69.9024 -127.338 -20.4551 -36.2224 -20.0955 -79.3154 -9.17414 PRESSAVG: 1067600 -27.6634 -45.6649 -26.5812 -45.6649 -30.5494 93.5609 -26.5812 93.5609 -14.2282 GPRESSAVG: 1067600 -26.956 -46.1042 -25.3073 -45.1975 -30.2224 92.8192 -27.4115 94.1906 -15.4024 TIMING: 1067600 CPU: 3437.93, 0.00319885/step Wall: 3437.93, 0.00319885/step, 3.49421 hours remaining, 232.566406 MB of memory in use. ENERGY: 1067600 4035.5302 20547.3735 14513.5568 226.5093 -203255.5397 2527.9890 0.0000 0.0000 51769.9928 -109634.5882 297.5229 -161404.5810 -109278.8220 299.4650 -103.9285 -82.0437 761407.9500 -24.1470 -24.1936 PRESSURE: 1067800 11.7365 -307.162 210.168 -307.163 0.328468 219.303 210.168 219.303 -75.466 GPRESSURE: 1067800 -9.42585 -273.921 232.644 -279.012 93.7667 303.042 27.6448 27.2526 -69.0894 PRESSAVG: 1067800 14.1991 -42.5897 20.2071 -42.5896 34.1398 -33.9122 20.2072 -33.9123 -3.14921 GPRESSAVG: 1067800 14.4469 -43.8756 19.131 -41.7472 33.7663 -32.7167 21.0268 -33.894 -2.85202 TIMING: 1067800 CPU: 3438.57, 0.00320601/step Wall: 3438.57, 0.00320601/step, 3.50185 hours remaining, 232.566406 MB of memory in use. ENERGY: 1067800 3981.9143 20750.9027 14491.1930 260.8692 -203680.3272 2703.6961 0.0000 0.0000 52181.2022 -109310.5498 299.8861 -161491.7520 -108955.8932 299.8663 -21.1337 5.0838 760025.7226 15.0632 15.1204 PRESSURE: 1068000 -207.085 109.681 -193.96 109.68 -29.765 -182.58 -193.96 -182.58 407.189 GPRESSURE: 1068000 -120.001 118.635 -155.196 181.583 -13.4972 -155.02 -131.745 -139.626 400.287 PRESSAVG: 1068000 -18.9086 -64.6751 27.4914 -64.6751 5.05786 1.70942 27.4914 1.70942 5.13723 GPRESSAVG: 1068000 -19.53 -63.9681 27.8203 -63.9032 5.26157 0.16417 27.6416 0.885774 5.40573 TIMING: 1068000 CPU: 3439.2, 0.00318519/step Wall: 3439.2, 0.00318519/step, 3.47893 hours remaining, 232.566406 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: 1068000 4029.7710 20528.8440 14488.2347 253.3169 -203559.6479 2564.5670 0.0000 0.0000 52337.7341 -109357.1802 300.7857 -161694.9143 -108992.6969 299.8707 56.7799 88.9294 758642.7304 -2.9045 -2.9542 PRESSURE: 1068200 298.344 -222.969 -185.306 -222.969 -302.489 -138.415 -185.306 -138.414 372.99 GPRESSURE: 1068200 275.536 -133.594 -217.701 -85.7702 -202.311 -72.544 -99.6606 5.30576 384.625 PRESSAVG: 1068200 13.5207 -69.7991 17.4277 -69.7991 -8.22653 -10.7168 17.4276 -10.7169 6.46193 GPRESSAVG: 1068200 14.8041 -68.0536 16.6491 -69.8413 -8.96158 -10.7287 18.08 -6.46226 6.20925 TIMING: 1068200 CPU: 3439.84, 0.00317744/step Wall: 3439.84, 0.00317744/step, 3.47029 hours remaining, 232.566406 MB of memory in use. ENERGY: 1068200 3989.3269 20586.8047 14528.1423 269.6870 -203376.2561 2640.6461 0.0000 0.0000 52130.7469 -109230.9022 299.5961 -161361.6491 -108873.6335 300.1100 122.9482 152.6170 760093.0839 3.9187 4.0173 LDB: ============= START OF LOAD BALANCING ============== 3452.26 LDB: ============== END OF LOAD BALANCING =============== 3452.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3452.26 LDB: ============= START OF LOAD BALANCING ============== 3452.58 LDB: Largest compute 7034 load 0.034870 is 17.8% of average load 0.195491 LDB: Average compute 0.004401 is 2.3% of average load 0.195491 LDB: TIME 3452.58 LOAD: AVG 0.195491 MAX 0.212385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3452.58 LOAD: AVG 0.195491 MAX 0.212385 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.914 MB LDB: TIME 3452.58 LOAD: AVG 0.195491 MAX 0.212385 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.914 MB LDB: ============== END OF LOAD BALANCING =============== 3452.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3452.59 PRESSURE: 1068400 21.1221 -128.577 70.7733 -128.578 22.3914 -149.01 70.7731 -149.01 -292.32 GPRESSURE: 1068400 2.69158 -109.874 93.0035 -207.563 32.5327 -122.6 171.349 -82.2184 -198.987 PRESSAVG: 1068400 -31.8068 -86.0132 50.2144 -86.0131 -8.38026 37.1291 50.2143 37.1291 -2.77853 GPRESSAVG: 1068400 -34.9861 -90.1478 49.3766 -87.0949 -6.19333 37.8723 49.4598 35.3057 -2.10643 TIMING: 1068400 CPU: 3440.49, 0.0032331/step Wall: 3440.49, 0.0032331/step, 3.53091 hours remaining, 231.589844 MB of memory in use. ENERGY: 1068400 4095.3662 20468.7372 14558.8103 234.4267 -203600.4398 2713.1749 0.0000 0.0000 52174.5051 -109355.4194 299.8476 -161529.9245 -108996.1991 300.1989 -82.9355 -54.5876 761827.4428 -14.3219 -14.4286 PRESSURE: 1068600 -178.316 -71.3138 161.854 -71.3146 226.319 174.475 161.854 174.475 476.869 GPRESSURE: 1068600 -13.5821 -142.781 209.438 -42.4937 192.627 232.893 285.481 197.392 422.672 PRESSAVG: 1068600 21.2274 -50.7564 -6.60914 -50.7565 4.9139 69.7557 -6.60916 69.7557 14.4657 GPRESSAVG: 1068600 23.6861 -49.5879 -5.11092 -49.5635 2.11497 68.8872 -5.97417 69.4612 14.7744 TIMING: 1068600 CPU: 3441.12, 0.00317386/step Wall: 3441.12, 0.00317386/step, 3.46603 hours remaining, 231.789062 MB of memory in use. ENERGY: 1068600 3942.6988 20478.2041 14477.9825 243.4987 -203341.1153 2693.2997 0.0000 0.0000 52088.0818 -109417.3496 299.3509 -161505.4315 -109049.7478 299.5457 174.9574 200.5722 760885.6061 13.5357 13.5252 PRESSURE: 1068800 142.403 -229.522 195.538 -229.522 203.89 -95.8508 195.538 -95.8509 328.628 GPRESSURE: 1068800 132.044 -180.017 102.055 -191.74 208.864 -92.703 90.6166 -99.216 406.605 PRESSAVG: 1068800 4.3739 -27.4947 -1.42481 -27.4947 9.30392 17.9438 -1.42475 17.9438 -1.54281 GPRESSAVG: 1068800 4.92874 -28.0702 -3.902 -27.3048 8.5895 18.3412 -1.97175 17.4797 -1.33844 TIMING: 1068800 CPU: 3441.76, 0.00318069/step Wall: 3441.76, 0.00318069/step, 3.47331 hours remaining, 231.789062 MB of memory in use. ENERGY: 1068800 3931.9971 20493.5177 14617.1286 241.5655 -203711.7462 2673.5506 0.0000 0.0000 52304.1269 -109449.8599 300.5925 -161753.9868 -109089.9528 299.4185 224.9737 249.1708 760423.9660 4.0450 4.0599 PRESSURE: 1069000 42.4839 -43.9416 -396.679 -43.9417 -271.521 -14.8806 -396.678 -14.8817 5.79152 GPRESSURE: 1069000 79.5048 -54.8585 -403.749 -39.6116 -201.189 56.8917 -297.465 39.2873 -40.6645 PRESSAVG: 1069000 76.4658 -31.7741 -3.55768 -31.7741 -55.4472 18.0393 -3.55769 18.0394 -12.0482 GPRESSAVG: 1069000 75.6267 -31.2376 -2.49253 -32.4087 -54.4485 16.1736 -4.55057 19.7353 -12.3328 TIMING: 1069000 CPU: 3442.39, 0.00319212/step Wall: 3442.39, 0.00319212/step, 3.48562 hours remaining, 231.859375 MB of memory in use. ENERGY: 1069000 3971.9216 20414.2727 14487.7171 242.4510 -203454.4030 2366.4730 0.0000 0.0000 52389.9343 -109581.6332 301.0857 -161971.5675 -109218.7399 299.2653 -74.4151 -54.1164 761330.0483 2.9901 2.9485 PRESSURE: 1069200 175.53 58.5996 -302.886 58.6005 -77.1168 -149.9 -302.886 -149.9 167.215 GPRESSURE: 1069200 150.705 42.5022 -219.956 15.4853 -74.5651 -236.563 -224.913 -98.5481 256.406 PRESSAVG: 1069200 27.6241 -14.1022 -43.0839 -14.1022 -10.3904 35.504 -43.084 35.5039 -19.5071 GPRESSAVG: 1069200 27.511 -14.1111 -43.1652 -12.1523 -9.66466 37.1876 -38.9917 35.0195 -20.1673 TIMING: 1069200 CPU: 3443.03, 0.00319391/step Wall: 3443.03, 0.00319391/step, 3.4874 hours remaining, 231.859375 MB of memory in use. ENERGY: 1069200 3952.5012 20518.0503 14551.1522 238.8764 -203546.4280 2728.7676 0.0000 0.0000 52078.1938 -109478.8865 299.2941 -161557.0804 -109110.8938 299.1522 88.5427 110.8488 759552.1040 -0.7578 -0.7736 PRESSURE: 1069400 -445.717 102.624 -113.355 102.623 -177.956 156.012 -113.355 156.01 -101.72 GPRESSURE: 1069400 -450.16 59.3273 -147.955 40.1323 -72.5238 95.5722 -177.53 148.75 -128.85 PRESSAVG: 1069400 -1.91049 31.0949 59.5602 31.0949 16.23 14.4339 59.5603 14.434 38.3022 GPRESSAVG: 1069400 -2.72027 33.1777 60.8032 28.775 17.112 12.8088 59.1568 13.9608 38.0685 TIMING: 1069400 CPU: 3443.67, 0.00317337/step Wall: 3443.67, 0.00317337/step, 3.46479 hours remaining, 231.859375 MB of memory in use. ENERGY: 1069400 4016.0906 20467.1847 14556.3814 246.1844 -203247.2426 2307.1864 0.0000 0.0000 51894.4190 -109759.7960 298.2379 -161654.2150 -109386.9406 299.0851 -241.7978 -217.1779 759330.2356 17.5406 17.4867 PRESSURE: 1069600 -317.921 33.9826 289.973 33.9827 359.889 -51.6598 289.974 -51.661 -101.105 GPRESSURE: 1069600 -271.042 137.436 238.224 -23.5762 307.438 -79.5559 238.037 -23.3662 -33.6003 PRESSAVG: 1069600 -23.4356 22.1432 -9.20137 22.1432 -2.39944 5.78745 -9.20133 5.78744 28.8263 GPRESSAVG: 1069600 -23.69 24.5224 -9.76679 21.6653 -3.28529 6.59523 -11.0618 5.76414 29.9911 TIMING: 1069600 CPU: 3444.31, 0.00319443/step Wall: 3444.31, 0.00319443/step, 3.4876 hours remaining, 231.859375 MB of memory in use. ENERGY: 1069600 3929.2245 20550.4666 14503.6798 230.9642 -203350.7929 2371.7742 0.0000 0.0000 52075.7675 -109688.9160 299.2802 -161764.6835 -109331.3796 298.9466 -19.7123 0.9318 761879.4007 0.9971 1.0053 PRESSURE: 1069800 327.183 -68.0573 54.3186 -68.0576 155.097 118.083 54.3185 118.083 -193.48 GPRESSURE: 1069800 353.548 -106.461 127.486 -138.086 67.076 70.4915 38.8874 38.2919 -68.9959 PRESSAVG: 1069800 -22.5937 -43.7022 13.0583 -43.7021 12.8076 1.30327 13.0583 1.30329 -16.851 GPRESSAVG: 1069800 -22.4058 -45.5744 14.1835 -42.5656 12.0488 0.287135 11.8323 2.23225 -16.9061 TIMING: 1069800 CPU: 3444.95, 0.00319881/step Wall: 3444.95, 0.00319881/step, 3.49222 hours remaining, 231.859375 MB of memory in use. ENERGY: 1069800 3937.4821 20574.0889 14463.7782 252.7118 -203419.5076 2844.6576 0.0000 0.0000 51684.9555 -109661.8336 297.0341 -161346.7891 -109304.7914 298.5959 96.2667 117.2094 761239.8277 -8.8790 -9.0877 PRESSURE: 1070000 4.5795 241.396 -40.6847 241.396 483.521 -50.7505 -40.6852 -50.7499 351.092 GPRESSURE: 1070000 78.2984 183.364 -65.6208 296.021 552.561 -119.887 -13.2569 52.1688 286.817 PRESSAVG: 1070000 -11.9231 -0.905659 28.4736 -0.905616 76.5376 -26.3417 28.4736 -26.3417 9.15267 GPRESSAVG: 1070000 -11.8535 -3.43476 28.5077 -1.52165 78.4283 -25.8957 30.1215 -28.9294 7.70399 TIMING: 1070000 CPU: 3445.58, 0.00317335/step Wall: 3445.58, 0.00317335/step, 3.46424 hours remaining, 231.859375 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: 1070000 3958.6407 20381.7200 14495.6846 237.4549 -203102.4744 2556.2133 0.0000 0.0000 52056.8030 -109415.9580 299.1712 -161472.7610 -109048.0418 299.1801 279.7309 305.8922 759115.0842 24.5890 24.7596 PRESSURE: 1070200 -402.16 -11.2258 109.325 -11.2252 -63.3516 -4.22824 109.325 -4.22852 -15.9092 GPRESSURE: 1070200 -278.483 130.54 170.543 -115.09 -118.071 -56.8587 75.0549 40.3769 -11.5891 PRESSAVG: 1070200 -23.0401 -19.5278 -14.3562 -19.5278 12.2823 17.5072 -14.3562 17.5072 -18.7507 GPRESSAVG: 1070200 -23.1729 -18.4975 -14.2004 -20.0623 11.038 18.6627 -15.3137 17.6379 -17.5522 TIMING: 1070200 CPU: 3446.21, 0.00316378/step Wall: 3446.21, 0.00316378/step, 3.45362 hours remaining, 231.859375 MB of memory in use. ENERGY: 1070200 3977.7258 20408.0351 14555.0286 259.5574 -203273.6740 2419.4600 0.0000 0.0000 52145.6906 -109508.1764 299.6820 -161653.8670 -109136.6151 299.0282 -160.4737 -136.0476 760960.1667 -9.8362 -9.8957 PRESSURE: 1070400 -21.136 11.5506 115.813 11.5503 212.154 171.845 115.813 171.845 -153.264 GPRESSURE: 1070400 -75.2976 -93.3884 136.201 -13.5804 308.832 156.723 175.555 137.856 -106.552 PRESSAVG: 1070400 -1.01927 -9.22896 5.77951 -9.22904 10.5327 -36.7714 5.77948 -36.7714 2.85894 GPRESSAVG: 1070400 -0.411938 -10.4408 3.20276 -7.44006 11.0516 -38.3193 6.28261 -34.7528 2.03134 TIMING: 1070400 CPU: 3446.85, 0.00320171/step Wall: 3446.85, 0.00320171/step, 3.49484 hours remaining, 231.859375 MB of memory in use. ENERGY: 1070400 4041.5830 20324.4182 14499.2505 267.2600 -203382.4824 2727.0239 0.0000 0.0000 51863.5496 -109659.3973 298.0605 -161522.9469 -109296.9325 298.8506 12.5847 42.3273 760713.5536 4.1241 4.2237 PRESSURE: 1070600 -59.6438 -291.03 5.19576 -291.029 -142.798 -64.6605 5.1956 -64.6594 -165.955 GPRESSURE: 1070600 -108.667 -333.023 67.6945 -177.675 -70.684 16.0463 6.21242 -99.0332 -117.384 PRESSAVG: 1070600 -72.805 -22.4939 -10.745 -22.4939 86.5113 35.3384 -10.745 35.3385 6.283 GPRESSAVG: 1070600 -72.8165 -22.6868 -10.6593 -23.6788 86.4078 36.3981 -9.89014 33.807 6.56426 TIMING: 1070600 CPU: 3447.5, 0.00320782/step Wall: 3447.5, 0.00320782/step, 3.50134 hours remaining, 231.859375 MB of memory in use. ENERGY: 1070600 3970.4225 20427.6335 14503.9867 252.5667 -203360.5104 2580.5380 0.0000 0.0000 51975.9579 -109649.4051 298.7065 -161625.3631 -109282.3077 299.2801 -122.7990 -98.9115 760396.7379 6.6631 6.7185 PRESSURE: 1070800 79.2998 -78.9204 -87.6174 -78.9199 -302.065 -182.42 -87.6173 -182.419 -352.091 GPRESSURE: 1070800 75.5044 -67.7308 -67.5123 61.2672 -253.561 -69.7717 -135.839 -268.835 -309.843 PRESSAVG: 1070800 36.4857 -6.52345 -34.1136 -6.52351 1.7062 -19.9165 -34.1136 -19.9166 -5.02378 GPRESSAVG: 1070800 36.7572 -4.15251 -31.2377 -5.48071 2.49289 -18.0722 -34.7301 -19.3572 -5.59321 TIMING: 1070800 CPU: 3448.13, 0.00319249/step Wall: 3448.13, 0.00319249/step, 3.48442 hours remaining, 231.859375 MB of memory in use. ENERGY: 1070800 3962.8727 20426.2850 14482.1943 249.4400 -203079.7844 2447.4760 0.0000 0.0000 51997.5147 -109514.0017 298.8304 -161511.5164 -109147.3929 299.3725 -191.6185 -162.6331 762476.3000 11.0560 11.2189 PRESSURE: 1071000 -393.002 -285.775 -123.397 -285.775 -245.044 231.575 -123.396 231.575 15.0504 GPRESSURE: 1071000 -349.023 -330.748 -114.038 -330.171 -156.361 269.305 -254.036 271.385 -34.2648 PRESSAVG: 1071000 -10.6658 -31.2732 -8.39966 -31.2732 71.0391 0.693735 -8.39968 0.69381 26.0575 GPRESSAVG: 1071000 -11.2517 -31.7267 -9.51679 -33.8236 71.2567 -0.830805 -8.50661 -1.47653 26.4648 TIMING: 1071000 CPU: 3448.77, 0.00318507/step Wall: 3448.77, 0.00318507/step, 3.47615 hours remaining, 231.859375 MB of memory in use. ENERGY: 1071000 4073.6971 20334.4407 14519.4252 267.5503 -203685.6435 2602.5012 0.0000 0.0000 51945.6430 -109942.3861 298.5323 -161888.0290 -109590.9650 299.1651 -207.6651 -179.8830 761234.9789 28.8102 28.8233 PRESSURE: 1071200 -290.619 123.781 -149.264 123.781 110.211 -58.2703 -149.264 -58.2695 78.0191 GPRESSURE: 1071200 -148.452 114.738 -69.9095 62.0305 115.941 -33.8227 -122.984 -9.66704 23.8263 PRESSAVG: 1071200 -5.08176 -23.9549 30.4391 -23.9549 54.2538 12.5929 30.4392 12.5929 6.23034 GPRESSAVG: 1071200 -5.74193 -23.1609 29.0601 -22.7984 54.2391 12.2391 31.9394 15.1756 6.79019 TIMING: 1071200 CPU: 3449.42, 0.00322516/step Wall: 3449.42, 0.00322516/step, 3.51972 hours remaining, 231.859375 MB of memory in use. ENERGY: 1071200 4017.4841 20518.4059 14540.7389 248.1621 -203643.9878 2617.5397 0.0000 0.0000 51649.5415 -110052.1157 296.8306 -161701.6572 -109692.8105 298.6959 -34.1297 -2.8947 761038.4608 18.4675 18.4291 PRESSURE: 1071400 93.5598 94.5441 109.999 94.5436 -191.827 159.722 110 159.723 -245.355 GPRESSURE: 1071400 142.983 74.7281 16.7263 239.73 -134.293 115.917 88.9114 145.606 -275.483 PRESSAVG: 1071400 80.3515 -20.8532 28.3914 -20.8532 -22.8659 -9.79168 28.3915 -9.79172 17.0731 GPRESSAVG: 1071400 82.9293 -24.4822 28.1747 -18.3022 -24.0015 -10.5678 26.1228 -9.96604 15.7447 TIMING: 1071400 CPU: 3450.06, 0.0031915/step Wall: 3450.06, 0.0031915/step, 3.48281 hours remaining, 231.859375 MB of memory in use. ENERGY: 1071400 3995.6610 20369.5519 14506.7396 260.5819 -203329.6308 2424.9252 0.0000 0.0000 51559.5632 -110212.6080 296.3135 -161772.1713 -109859.7016 297.1674 -114.5405 -88.9311 761265.6266 24.8529 24.8908 PRESSURE: 1071600 28.4284 54.4445 -148.355 54.4444 -100.994 -169.435 -148.355 -169.434 329.856 GPRESSURE: 1071600 107.657 72.0618 -124.548 -63.7952 -82.2877 -171.868 -109.484 -193.113 341.046 PRESSAVG: 1071600 11.7407 -0.908713 -20.4875 -0.908746 -39.2213 -11.2843 -20.4875 -11.2843 16.9028 GPRESSAVG: 1071600 10.1561 0.888228 -20.1353 -3.63741 -38.4523 -10.5513 -17.352 -12.1489 17.649 TIMING: 1071600 CPU: 3450.7, 0.00323669/step Wall: 3450.7, 0.00323669/step, 3.53195 hours remaining, 231.859375 MB of memory in use. ENERGY: 1071600 3913.7288 20389.5146 14589.1381 246.9153 -203220.2145 2413.1272 0.0000 0.0000 51549.6487 -110118.1417 296.2565 -161667.7904 -109750.8780 296.8022 85.7634 122.1386 761716.4198 -3.5259 -3.5491 PRESSURE: 1071800 -4.63916 206.302 36.5901 206.302 95.3189 -61.9177 36.5901 -61.9177 -81.2434 GPRESSURE: 1071800 55.0772 87.8718 22.1215 121.487 96.2563 -13.9033 79.823 -71.3496 -51.6678 PRESSAVG: 1071800 56.3367 20.5263 46.6922 20.5263 -39.6833 17.8699 46.6922 17.87 8.16537 GPRESSAVG: 1071800 54.8568 19.4742 47.2075 21.9697 -39.1143 19.6174 46.2192 16.3525 9.05631 TIMING: 1071800 CPU: 3451.34, 0.00317349/step Wall: 3451.34, 0.00317349/step, 3.46281 hours remaining, 231.859375 MB of memory in use. ENERGY: 1071800 4019.7374 20508.5648 14490.5156 237.0296 -203789.6809 2731.1777 0.0000 0.0000 51784.4304 -110018.2253 297.6058 -161802.6557 -109673.3763 297.6952 3.1454 33.2219 759725.9794 8.2729 8.2663 PRESSURE: 1072000 -37.3567 -30.7316 -28.2971 -30.7323 181.712 -128.264 -28.2968 -128.263 95.7458 GPRESSURE: 1072000 25.3829 -22.8283 -96.0496 51.7697 208.045 -130.098 -3.54792 33.3213 80.1835 PRESSAVG: 1072000 15.2689 -35.1696 15.6415 -35.1696 4.09838 -0.225717 15.6415 -0.225759 -3.89559 GPRESSAVG: 1072000 15.8696 -34.463 15.4328 -33.6349 4.18579 -0.796367 17.358 3.48315 -4.9964 TIMING: 1072000 CPU: 3451.97, 0.00318578/step Wall: 3451.97, 0.00318578/step, 3.47604 hours remaining, 231.859375 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: 1072000 3867.1492 20581.8785 14516.6186 251.7127 -203696.8606 2670.4013 0.0000 0.0000 51762.2555 -110046.8447 297.4784 -161809.1002 -109681.0693 297.6628 80.0338 104.5370 762413.6040 5.1572 5.0197 PRESSURE: 1072200 26.0264 -173.033 131.551 -173.032 -33.2441 95.9257 131.551 95.926 261.094 GPRESSURE: 1072200 129.047 -368.571 104.718 -63.779 -30.6886 36.6293 7.23688 69.585 257.909 PRESSAVG: 1072200 32.2698 -23.8889 0.175427 -23.8889 -5.39868 4.24828 0.175344 4.24829 4.07244 GPRESSAVG: 1072200 33.089 -23.6483 -0.0086128 -25.5098 -6.8917 4.59147 -4.63603 2.49588 4.73072 TIMING: 1072200 CPU: 3452.61, 0.00319708/step Wall: 3452.61, 0.00319708/step, 3.48819 hours remaining, 231.859375 MB of memory in use. ENERGY: 1072200 4007.7197 20562.5436 14504.4803 237.5296 -203673.0572 2738.0417 0.0000 0.0000 51829.4533 -109793.2890 297.8646 -161622.7422 -109436.0724 297.8009 84.6256 118.7559 760180.6477 10.3145 10.3094 LDB: ============= START OF LOAD BALANCING ============== 3465.04 LDB: ============== END OF LOAD BALANCING =============== 3465.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3465.04 LDB: ============= START OF LOAD BALANCING ============== 3465.36 LDB: Largest compute 7075 load 0.035347 is 18.1% of average load 0.195412 LDB: Average compute 0.004416 is 2.3% of average load 0.195412 LDB: TIME 3465.36 LOAD: AVG 0.195412 MAX 0.212014 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.848 MB LDB: TIME 3465.36 LOAD: AVG 0.195412 MAX 0.212014 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: TIME 3465.36 LOAD: AVG 0.195412 MAX 0.212014 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: ============== END OF LOAD BALANCING =============== 3465.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3465.37 PRESSURE: 1072400 -115.87 -11.9062 40.4753 -11.9069 -115.787 8.62823 40.476 8.6278 -318.527 GPRESSURE: 1072400 -73.8052 -34.3451 97.7434 44.9374 -87.5866 5.05547 -30.1256 -29.7869 -292.933 PRESSAVG: 1072400 37.5358 -50.7652 33.2106 -50.7652 -6.94799 -11.1705 33.2106 -11.1704 28.9244 GPRESSAVG: 1072400 36.0072 -52.2127 32.5047 -49.3013 -5.49306 -12.1678 34.7992 -11.4746 28.9934 TIMING: 1072400 CPU: 3453.26, 0.00325082/step Wall: 3453.26, 0.00325082/step, 3.54665 hours remaining, 232.101562 MB of memory in use. ENERGY: 1072400 3994.5060 20444.3916 14556.4857 246.4547 -203836.2099 2782.9509 0.0000 0.0000 52002.8178 -109808.6033 298.8609 -161811.4211 -109442.9289 298.5428 -183.3945 -151.4417 760618.9734 19.8374 19.8358 PRESSURE: 1072600 -53.0574 -22.5797 222.908 -22.5798 110.842 102.788 222.908 102.787 281.249 GPRESSURE: 1072600 -53.5874 -90.5995 274.699 -83.3018 229.776 23.4984 41.2452 129.288 234.192 PRESSAVG: 1072600 4.00227 1.34555 -31.086 1.34559 51.5315 11.9636 -31.0861 11.9636 -10.6287 GPRESSAVG: 1072600 4.95401 3.19273 -31.1794 -1.54058 50.9236 11.2184 -30.3117 11.0517 -11.457 TIMING: 1072600 CPU: 3453.9, 0.00316642/step Wall: 3453.9, 0.00316642/step, 3.45439 hours remaining, 232.300781 MB of memory in use. ENERGY: 1072600 3914.8385 20428.5058 14551.2710 248.2103 -203601.9614 2674.7754 0.0000 0.0000 52086.8610 -109697.4994 299.3439 -161784.3604 -109323.0744 298.8211 113.0114 136.7936 761623.6380 14.9684 14.8069 PRESSURE: 1072800 132.69 -45.3509 -192.006 -45.3511 151.947 29.3971 -192.006 29.3974 170.465 GPRESSURE: 1072800 111.894 -8.58838 -180.254 -10.6741 215.192 102.524 -236.944 55.1622 243.873 PRESSAVG: 1072800 16.4677 3.16298 27.9127 3.16306 -25.993 16.4331 27.9128 16.433 -13.1107 GPRESSAVG: 1072800 14.4682 2.01424 28.6449 3.08342 -24.6551 16.1919 26.1988 18.2213 -12.1368 TIMING: 1072800 CPU: 3454.53, 0.00317569/step Wall: 3454.53, 0.00317569/step, 3.46432 hours remaining, 232.300781 MB of memory in use. ENERGY: 1072800 3938.6704 20543.0133 14450.7008 230.5191 -203424.8517 2548.7589 0.0000 0.0000 52351.0708 -109362.1185 300.8623 -161713.1893 -109001.8258 299.0931 151.7008 190.3198 759960.1970 -7.5453 -7.4412 PRESSURE: 1073000 -375.743 114.108 55.7579 114.107 -96.8739 155.529 55.7585 155.531 -91.6362 GPRESSURE: 1073000 -304.094 92.8208 60.4459 148.608 -58.0172 199.099 161.59 25.3626 -119.96 PRESSAVG: 1073000 10.3569 -5.8714 10.0725 -5.87144 -23.3401 12.6042 10.0725 12.6042 1.29185 GPRESSAVG: 1073000 10.9915 -4.8055 11.8162 -3.38975 -24.2362 13.7765 11.0537 12.9333 1.57573 TIMING: 1073000 CPU: 3455.17, 0.00319155/step Wall: 3455.17, 0.00319155/step, 3.48145 hours remaining, 232.300781 MB of memory in use. ENERGY: 1073000 3982.1779 20433.3577 14493.4467 253.7904 -202541.2037 2063.3990 0.0000 0.0000 51996.6263 -109318.4057 298.8253 -161315.0320 -108941.5302 299.1451 -188.0845 -160.6903 762370.9653 -3.8971 -3.8897 PRESSURE: 1073200 -184.951 -40.577 -148.028 -40.5776 -173.152 -184.254 -148.028 -184.254 194.281 GPRESSURE: 1073200 -158.234 -208.887 -177.912 -108.566 -118.404 -160.771 -60.817 -187.709 191.339 PRESSAVG: 1073200 -29.9179 0.0679732 10.6218 0.0678903 0.607954 -39.5733 10.6218 -39.5733 28.8691 GPRESSAVG: 1073200 -28.8079 -0.704824 9.06891 -3.2198 0.747739 -39.7492 12.061 -41.0119 27.9188 TIMING: 1073200 CPU: 3455.81, 0.00319567/step Wall: 3455.81, 0.00319567/step, 3.48577 hours remaining, 232.300781 MB of memory in use. ENERGY: 1073200 3991.6819 20482.8481 14506.5324 237.0372 -202885.4898 2334.9036 0.0000 0.0000 52105.7674 -109226.7193 299.4526 -161332.4867 -108866.9242 299.0777 -54.6074 -28.4331 761252.7457 -0.1470 -0.0471 PRESSURE: 1073400 82.3205 -62.6389 -212.927 -62.6387 46.6304 -154.738 -212.929 -154.739 45.1449 GPRESSURE: 1073400 17.4775 -57.8363 -216.802 24.724 157.208 -185.418 -184.544 -9.07447 89.0107 PRESSAVG: 1073400 13.4878 -5.30873 -56.6209 -5.30876 3.23873 -1.41215 -56.6209 -1.41215 1.7159 GPRESSAVG: 1073400 12.0776 -4.39968 -56.5528 -4.56363 4.07728 -1.3113 -57.2071 -0.391887 2.84785 TIMING: 1073400 CPU: 3456.45, 0.00318288/step Wall: 3456.45, 0.00318288/step, 3.47163 hours remaining, 232.300781 MB of memory in use. ENERGY: 1073400 4006.2205 20415.1149 14442.3511 259.6044 -203172.9775 2357.0125 0.0000 0.0000 52413.4838 -109279.1902 301.2210 -161692.6741 -108889.9022 299.5051 58.0319 87.8987 759770.1266 6.1475 6.3342 PRESSURE: 1073600 -301.081 14.0364 155.697 14.037 -103.171 -81.7796 155.697 -81.78 -415.207 GPRESSURE: 1073600 -322.502 137.914 210.654 -14.7946 20.1515 -153.7 204.035 22.8382 -417.151 PRESSAVG: 1073600 33.654 -32.3744 -11.5503 -32.3743 -20.4313 -18.8475 -11.5503 -18.8476 13.6466 GPRESSAVG: 1073600 33.716 -34.1636 -10.5872 -31.2689 -20.4017 -18.6351 -11.0065 -18.569 13.3332 TIMING: 1073600 CPU: 3457.08, 0.00316736/step Wall: 3457.08, 0.00316736/step, 3.45453 hours remaining, 232.300781 MB of memory in use. ENERGY: 1073600 4051.1884 20510.6883 14420.1536 242.7282 -203165.0294 2356.3065 0.0000 0.0000 52188.6238 -109395.3408 299.9287 -161583.9645 -109040.6130 299.6692 -273.1526 -239.8338 761902.9331 8.9564 8.8825 PRESSURE: 1073800 -92.2669 -38.3283 -136.101 -38.3289 143.459 -193.721 -136.102 -193.72 -73.4593 GPRESSURE: 1073800 -36.1919 -39.5873 -25.1556 -0.66975 104.151 -278.909 -133.993 -181.345 -8.33198 PRESSAVG: 1073800 10.4282 -17.2502 -10.6534 -17.2503 -33.0808 -27.8785 -10.6534 -27.8785 -0.11911 GPRESSAVG: 1073800 10.5752 -16.0278 -10.7976 -16.6959 -34.0813 -28.9681 -10.3077 -27.9828 0.00686484 TIMING: 1073800 CPU: 3457.71, 0.00317215/step Wall: 3457.71, 0.00317215/step, 3.45958 hours remaining, 232.300781 MB of memory in use. ENERGY: 1073800 4026.3376 20483.3031 14445.3864 234.4318 -203005.9618 2455.2481 0.0000 0.0000 52084.8164 -109276.4385 299.3322 -161361.2548 -108912.6674 299.7695 -7.4223 19.8759 761617.0841 -7.5906 -7.8331 PRESSURE: 1074000 -139.302 96.6514 -159.512 96.6523 -114.58 68.7168 -159.513 68.7171 219.506 GPRESSURE: 1074000 -60.078 29.5375 -200.028 126.135 -115.49 -4.82022 -93.9366 65.0527 212.1 PRESSAVG: 1074000 -47.9313 -8.48458 -12.3982 -8.48457 -5.33585 -0.661453 -12.3981 -0.661483 9.33723 GPRESSAVG: 1074000 -46.8104 -9.58311 -13.8144 -9.70444 -6.27759 0.371136 -12.4268 -1.21394 8.80492 TIMING: 1074000 CPU: 3458.35, 0.00315807/step Wall: 3458.35, 0.00315807/step, 3.44405 hours remaining, 232.300781 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: 1074000 4008.9429 20458.4313 14452.3873 247.2015 -203061.3899 2407.9479 0.0000 0.0000 52282.8999 -109203.5790 300.4705 -161486.4789 -108835.8246 299.8830 -11.4585 12.1773 761125.2441 -14.6433 -14.7610 PRESSURE: 1074200 -528.023 -66.4918 2.60918 -66.4909 -124.959 230.342 2.60904 230.342 151.95 GPRESSURE: 1074200 -549.409 -16.6683 -17.7268 35.7038 7.54629 227.841 -49.641 75.832 127.243 PRESSAVG: 1074200 49.8798 -51.1519 14.9162 -51.1519 -1.14508 5.88608 14.9162 5.88614 32.0921 GPRESSAVG: 1074200 48.705 -50.1925 16.4543 -49.7323 0.197333 5.81632 13.4857 4.9005 31.4301 TIMING: 1074200 CPU: 3458.98, 0.00316992/step Wall: 3458.98, 0.00316992/step, 3.4568 hours remaining, 232.300781 MB of memory in use. ENERGY: 1074200 3975.9397 20542.6398 14448.9896 231.0460 -202883.5507 2033.2981 0.0000 0.0000 52428.8467 -109222.7910 301.3093 -161651.6376 -108852.4770 299.7383 -167.0106 -138.2065 761577.7650 26.9423 26.7775 PRESSURE: 1074400 -435.816 12.1376 194.837 12.1375 -429.356 -172.816 194.838 -172.814 -467.53 GPRESSURE: 1074400 -415.086 151.438 189.867 9.1844 -275.082 -214.536 338.845 -54.439 -542.853 PRESSAVG: 1074400 -29.1167 -28.597 37.4013 -28.597 25.9195 -16.9636 37.4013 -16.9635 -19.3122 GPRESSAVG: 1074400 -28.6364 -28.6465 35.2051 -28.9318 24.6643 -16.2845 38.561 -16.1304 -18.2294 TIMING: 1074400 CPU: 3459.62, 0.00321824/step Wall: 3459.62, 0.00321824/step, 3.50931 hours remaining, 232.300781 MB of memory in use. ENERGY: 1074400 4066.8255 20522.7003 14485.2109 265.8108 -203058.3841 2292.9609 0.0000 0.0000 52209.0767 -109215.7990 300.0463 -161424.8757 -108860.1548 299.7793 -444.2339 -411.0069 762175.4556 -7.5031 -7.4005 PRESSURE: 1074600 318.012 -39.4435 46.5264 -39.4434 -39.0054 -61.9 46.5267 -61.8999 -521.445 GPRESSURE: 1074600 325.294 -71.5981 53.7729 -107.582 -5.70965 -0.979069 79.6409 -14.134 -481.942 PRESSAVG: 1074600 -66.3958 8.88955 83.9992 8.88947 52.727 6.45976 83.9991 6.45974 7.65129 GPRESSAVG: 1074600 -67.594 9.71785 86.3345 6.85424 53.7489 5.38072 84.1694 6.15002 7.92302 TIMING: 1074600 CPU: 3460.26, 0.00318884/step Wall: 3460.26, 0.00318884/step, 3.47707 hours remaining, 232.300781 MB of memory in use. ENERGY: 1074600 4027.0516 20625.3161 14488.3494 247.7761 -203127.7578 2476.8185 0.0000 0.0000 52129.3022 -109133.1438 299.5878 -161262.4461 -108787.0158 299.8355 -80.8131 -54.1190 761628.7272 -2.0058 -1.9740 PRESSURE: 1074800 -221.939 0.391469 -280.444 0.391199 -392.756 -66.2678 -280.444 -66.2682 -387.321 GPRESSURE: 1074800 -216.568 205.544 -231.453 -45.7584 -324.297 -156.319 -332.079 -79.2329 -386.396 PRESSAVG: 1074800 -35.4378 -25.7434 -21.8334 -25.7432 29.6562 -4.21797 -21.8334 -4.21802 9.66568 GPRESSAVG: 1074800 -35.0157 -25.9561 -22.4501 -26.5586 29.0305 -3.25379 -22.9056 -2.07026 9.37495 TIMING: 1074800 CPU: 3460.89, 0.00316583/step Wall: 3460.89, 0.00316583/step, 3.45181 hours remaining, 232.300781 MB of memory in use. ENERGY: 1074800 4044.8229 20556.1083 14429.4572 257.9881 -203302.3577 2407.2026 0.0000 0.0000 52197.1762 -109409.6023 299.9779 -161606.7785 -109050.9665 299.9814 -334.0055 -309.0870 761306.2254 1.2947 1.1299 PRESSURE: 1075000 264.771 163.69 -37.6074 163.69 -167.706 276.158 -37.6079 276.157 -282.142 GPRESSURE: 1075000 318.357 182.074 -47.2391 212.733 -159.332 218.554 0.747944 306.236 -270.979 PRESSAVG: 1075000 24.8989 -4.27821 -12.1625 -4.27827 -17.5435 28.4108 -12.1626 28.4107 5.37292 GPRESSAVG: 1075000 24.4732 -5.89181 -11.5942 -2.22455 -17.4508 28.6153 -11.1252 28.8895 5.98511 TIMING: 1075000 CPU: 3461.53, 0.00315827/step Wall: 3461.53, 0.00315827/step, 3.44339 hours remaining, 232.300781 MB of memory in use. ENERGY: 1075000 4081.2137 20652.5367 14396.8086 249.2876 -203277.6354 2375.8275 0.0000 0.0000 52070.9203 -109451.0411 299.2523 -161521.9613 -109103.6931 299.9099 -61.6923 -37.3180 761761.0765 4.2428 4.3358 PRESSURE: 1075200 170.15 113.882 -111.774 113.882 45.7591 103.059 -111.775 103.06 515.552 GPRESSURE: 1075200 236.606 41.7939 -130.083 51.1757 81.1395 76.5471 18.5147 -61.3828 508.95 PRESSAVG: 1075200 -20.4558 27.5278 22.4814 27.5277 4.97143 11.7416 22.4814 11.7417 -7.31254 GPRESSAVG: 1075200 -19.1915 27.67 21.8652 25.2543 3.07959 10.8962 21.819 10.6398 -6.68355 TIMING: 1075200 CPU: 3462.16, 0.00317183/step Wall: 3462.16, 0.00317183/step, 3.458 hours remaining, 232.300781 MB of memory in use. ENERGY: 1075200 3964.2082 20577.0711 14500.1475 244.1027 -203317.0002 2482.6170 0.0000 0.0000 52041.5790 -109507.2746 299.0837 -161548.8536 -109145.7967 299.3256 243.8204 275.5651 759807.1614 -7.5990 -7.5985 PRESSURE: 1075400 -21.306 -67.3031 -131.007 -67.3027 192.368 36.8188 -131.005 36.8173 -327.858 GPRESSURE: 1075400 -103.906 -85.7878 -86.4181 -28.3009 261.48 -72.689 -73.5897 40.1823 -224.037 PRESSAVG: 1075400 -42.2874 1.94563 -6.46561 1.94558 -12.3804 29.4584 -6.46556 29.4584 -9.94904 GPRESSAVG: 1075400 -43.9588 2.64374 -5.52589 4.41305 -9.95491 29.8913 -5.62882 28.2097 -10.5615 TIMING: 1075400 CPU: 3462.8, 0.00319314/step Wall: 3462.8, 0.00319314/step, 3.48105 hours remaining, 232.300781 MB of memory in use. ENERGY: 1075400 4037.5918 20648.7712 14439.9922 248.7208 -203265.8080 2446.0063 0.0000 0.0000 52076.5687 -109368.1570 299.2848 -161444.7257 -109004.6678 299.1804 -52.2651 -22.1546 759964.0029 -21.5390 -21.4918 PRESSURE: 1075600 452.289 79.4328 -93.8081 79.4327 315.689 183.424 -93.8087 183.424 175.757 GPRESSURE: 1075600 539.893 -24.8852 -20.9244 13.1191 277.462 136.548 -76.2042 157.074 236.773 PRESSAVG: 1075600 -26.845 30.6405 14.9414 30.6405 37.8863 20.6931 14.9414 20.693 30.553 GPRESSAVG: 1075600 -26.2208 29.897 14.7862 28.7056 37.1368 22.3214 14.5576 19.9328 30.6192 TIMING: 1075600 CPU: 3463.44, 0.00319484/step Wall: 3463.44, 0.00319484/step, 3.48273 hours remaining, 232.300781 MB of memory in use. ENERGY: 1075600 3891.6754 20562.1065 14386.6919 268.2865 -203543.6505 2620.0314 0.0000 0.0000 52459.1242 -109355.7345 301.4833 -161814.8587 -108989.5162 299.7719 314.5783 351.3758 759608.7514 13.8647 13.8450 PRESSURE: 1075800 188.056 44.8161 -32.1419 44.8154 394.9 -22.1135 -32.1426 -22.1134 294.48 GPRESSURE: 1075800 224.067 25.3381 -24.8015 -89.3327 471.409 -36.2996 51.2821 54.1432 273.626 PRESSAVG: 1075800 5.65149 38.1376 -15.4019 38.1376 76.9813 -54.161 -15.4019 -54.1611 1.89694 GPRESSAVG: 1075800 6.69682 37.2378 -14.8354 38.3325 76.8763 -56.4735 -16.0556 -50.7639 1.04586 TIMING: 1075800 CPU: 3464.07, 0.00318303/step Wall: 3464.07, 0.00318303/step, 3.46968 hours remaining, 232.300781 MB of memory in use. ENERGY: 1075800 3930.6063 20592.4971 14437.9058 248.5475 -203700.5086 2756.1056 0.0000 0.0000 52407.2956 -109327.5506 301.1854 -161734.8462 -108966.2567 300.0980 292.4787 323.0340 758985.2473 28.1766 28.2063 PRESSURE: 1076000 297.138 -138.434 21.7595 -138.433 -63.0693 107.531 21.7591 107.53 14.8761 GPRESSURE: 1076000 327.998 -55.518 49.2789 -201.334 -38.0253 137.441 -73.6857 -61.0183 46.8856 PRESSAVG: 1076000 -21.3571 -56.4362 27.8363 -56.4361 -37.8993 -16.0457 27.8364 -16.0458 -0.554095 GPRESSAVG: 1076000 -21.8468 -56.0382 25.7984 -56.474 -37.9941 -16.0768 28.6691 -17.5929 -0.266852 TIMING: 1076000 CPU: 3464.71, 0.0031888/step Wall: 3464.71, 0.0031888/step, 3.47579 hours remaining, 232.300781 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: 1076000 4043.0927 20466.9834 14524.3159 230.9535 -203477.5178 2501.4237 0.0000 0.0000 52390.0054 -109320.7431 301.0861 -161710.7485 -108964.8637 299.9735 82.9816 112.2861 759601.3232 -19.9368 -20.0359 PRESSURE: 1076200 -134.804 -58.1758 103.406 -58.176 -115.357 234.885 103.406 234.884 -26.0074 GPRESSURE: 1076200 -93.368 -33.3196 119.329 -61.5007 -86.0778 248.221 189.856 218.419 -4.25805 PRESSAVG: 1076200 -10.7075 -60.0655 -2.03185 -60.0654 -33.0442 23.5476 -2.03185 23.5476 3.11829 GPRESSAVG: 1076200 -10.7152 -59.2108 -1.38831 -60.4646 -32.8472 24.9085 -3.426 22.6003 2.6963 TIMING: 1076200 CPU: 3465.35, 0.00318096/step Wall: 3465.35, 0.00318096/step, 3.46706 hours remaining, 232.300781 MB of memory in use. ENERGY: 1076200 4017.3250 20411.7476 14476.1377 245.5067 -203126.8535 2398.3546 0.0000 0.0000 52233.2741 -109344.5079 300.1853 -161577.7819 -108972.5765 300.3944 -92.0560 -61.2346 761462.3192 -13.5445 -13.6220 LDB: ============= START OF LOAD BALANCING ============== 3477.78 LDB: ============== END OF LOAD BALANCING =============== 3477.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3477.78 LDB: ============= START OF LOAD BALANCING ============== 3478.1 LDB: Largest compute 7068 load 0.036409 is 18.6% of average load 0.195472 LDB: Average compute 0.004408 is 2.3% of average load 0.195472 LDB: TIME 3478.1 LOAD: AVG 0.195472 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.715 MB LDB: TIME 3478.1 LOAD: AVG 0.195472 MAX 0.212728 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.922 MB LDB: TIME 3478.1 LOAD: AVG 0.195472 MAX 0.212728 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.922 MB LDB: ============== END OF LOAD BALANCING =============== 3478.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3478.11 PRESSURE: 1076400 126.815 -49.4419 -211.842 -49.4425 131.171 169.589 -211.842 169.588 335.746 GPRESSURE: 1076400 165.225 145.9 -231.981 -47.8347 126.826 142.447 -96.7546 180.421 392.054 PRESSAVG: 1076400 -31.9429 -16.8986 -20.1482 -16.8987 29.9345 -3.70313 -20.1482 -3.70317 14.0444 GPRESSAVG: 1076400 -32.0452 -18.1401 -19.4899 -16.9558 30.4746 -3.957 -18.876 -3.71918 13.9193 TIMING: 1076400 CPU: 3466, 0.00326602/step Wall: 3466, 0.00326602/step, 3.5596 hours remaining, 232.054688 MB of memory in use. ENERGY: 1076400 4039.7510 20660.7223 14466.0432 231.8432 -203753.8627 2828.6591 0.0000 0.0000 52169.7253 -109357.1187 299.8201 -161526.8440 -108999.8423 299.9506 197.9104 228.0350 758762.8608 4.0120 4.1163 PRESSURE: 1076600 -234.685 0.023925 225.28 0.0238695 182.21 -96.8529 225.28 -96.8533 330.433 GPRESSURE: 1076600 -79.2526 65.1527 135.586 52.3566 141.197 -118.116 198.321 -43.8282 314.571 PRESSAVG: 1076600 -3.9234 -34.4394 -3.26103 -34.4395 23.7284 45.833 -3.26101 45.833 -20.4676 GPRESSAVG: 1076600 -4.01529 -35.4043 -5.86242 -31.4922 23.0516 45.6686 -2.59962 47.8545 -19.5732 TIMING: 1076600 CPU: 3466.64, 0.00320975/step Wall: 3466.64, 0.00320975/step, 3.49809 hours remaining, 232.257812 MB of memory in use. ENERGY: 1076600 3958.2493 20726.2475 14444.0825 229.4924 -203581.5210 2610.3190 0.0000 0.0000 52156.5500 -109456.5803 299.7444 -161613.1304 -109100.2944 300.2921 92.6527 125.5054 759592.2524 -0.2209 -0.1789 PRESSURE: 1076800 -465.943 49.1043 -326.295 49.1045 -326.928 -109.003 -326.295 -109.002 31.261 GPRESSURE: 1076800 -363.941 192.849 -305.498 -151.129 -325.774 14.1606 -287.197 -144.432 1.54604 PRESSAVG: 1076800 2.15727 -54.0865 -18.1869 -54.0864 -5.76289 8.73833 -18.1869 8.73837 10.9087 GPRESSAVG: 1076800 2.6023 -52.5963 -17.1171 -57.0595 -5.82667 7.69986 -18.4025 7.8234 10.2549 TIMING: 1076800 CPU: 3467.28, 0.00319328/step Wall: 3467.28, 0.00319328/step, 3.47997 hours remaining, 232.257812 MB of memory in use. ENERGY: 1076800 4019.0112 20510.9582 14519.3756 245.5280 -203088.0683 2317.5527 0.0000 0.0000 52008.1023 -109467.5404 298.8913 -161475.6427 -109095.2091 299.3186 -253.8700 -229.3896 761519.6744 2.4344 2.3435 PRESSURE: 1077000 -192.505 -125.414 231.945 -125.415 -42.4954 84.2428 231.945 84.2411 -8.15931 GPRESSURE: 1077000 -119.32 -141.939 126.688 -76.3208 -43.8173 92.7218 328.462 13.6289 -15.5009 PRESSAVG: 1077000 24.9263 -35.5603 19.3834 -35.5603 22.4153 -12.002 19.3834 -12.002 -40.3935 GPRESSAVG: 1077000 24.6273 -35.9182 19.9259 -35.0696 22.5249 -10.0697 18.7569 -12.8262 -40.5697 TIMING: 1077000 CPU: 3467.92, 0.00317227/step Wall: 3467.92, 0.00317227/step, 3.4569 hours remaining, 232.257812 MB of memory in use. ENERGY: 1077000 3993.8089 20672.7895 14541.8700 250.6807 -203042.7011 2195.7719 0.0000 0.0000 51887.9303 -109499.8497 298.2006 -161387.7801 -109130.3273 299.8352 -81.0531 -59.5462 758635.3514 2.3161 2.1942 PRESSURE: 1077200 -85.8687 45.3691 -12.165 45.3695 -310.316 147.395 -12.1646 147.395 -563.903 GPRESSURE: 1077200 -157.98 63.0626 28.2131 3.96383 -267.07 60.4226 92.1003 228.252 -453.819 PRESSAVG: 1077200 -32.3377 -19.0133 -5.48922 -19.0133 33.7674 -28.7051 -5.48918 -28.7051 12.4214 GPRESSAVG: 1077200 -32.3965 -18.1652 -5.81095 -19.2068 33.2086 -28.8462 -4.45822 -26.9254 13.619 TIMING: 1077200 CPU: 3468.55, 0.0031737/step Wall: 3468.55, 0.0031737/step, 3.45827 hours remaining, 232.257812 MB of memory in use. ENERGY: 1077200 4014.8578 20744.1572 14504.9365 249.3033 -203438.9535 2381.8343 0.0000 0.0000 52168.7361 -109375.1282 299.8144 -161543.8644 -109019.4071 299.5701 -320.0292 -292.9563 759731.3156 4.6171 4.8104 PRESSURE: 1077400 -47.296 -57.6226 151.549 -57.6225 -314.39 31.2546 151.548 31.2545 -76.4214 GPRESSURE: 1077400 -20.7092 -99.4254 143.203 -14.3405 -245.274 -102.59 95.3657 117.666 -93.6163 PRESSAVG: 1077400 -54.1794 -52.3505 43.3073 -52.3505 42.9773 1.80252 43.3073 1.80246 -12.7579 GPRESSAVG: 1077400 -53.6708 -54.3316 43.8721 -51.3644 44.1557 0.205522 41.9085 1.66356 -14.484 TIMING: 1077400 CPU: 3469.18, 0.00316317/step Wall: 3469.18, 0.00316317/step, 3.44663 hours remaining, 232.257812 MB of memory in use. ENERGY: 1077400 4060.2649 20579.5234 14523.0280 237.0744 -203213.4077 2297.2369 0.0000 0.0000 52096.4158 -109419.8642 299.3988 -161516.2800 -109056.2821 299.8818 -146.0358 -119.8665 760037.1447 -7.9866 -7.9997 PRESSURE: 1077600 -383.94 -73.4239 96.3316 -73.4241 27.3749 -197.253 96.3313 -197.253 -122.921 GPRESSURE: 1077600 -204.828 -80.6203 70.0742 -21.3394 -84.9775 -173.363 33.7624 -232.292 -91.2861 PRESSAVG: 1077600 -35.606 -20.5065 16.9612 -20.5065 17.2857 -1.23293 16.9611 -1.23301 -0.394317 GPRESSAVG: 1077600 -34.8029 -20.2209 16.6278 -20.2311 16.6412 0.644736 16.6076 -2.19734 0.253706 TIMING: 1077600 CPU: 3469.82, 0.0031655/step Wall: 3469.82, 0.0031655/step, 3.44899 hours remaining, 232.257812 MB of memory in use. ENERGY: 1077600 4065.8495 20640.3036 14470.8635 251.6688 -203188.4645 2307.8571 0.0000 0.0000 51972.5902 -109479.3317 298.6872 -161451.9219 -109127.0495 299.4217 -159.8288 -127.0305 760098.6734 -6.2382 -5.9693 PRESSURE: 1077800 158.919 43.8916 -237.96 43.8918 63.6694 -134.995 -237.96 -134.995 -232.91 GPRESSURE: 1077800 146.727 -43.2791 -307.399 65.2107 113.655 -99.7527 -223.584 -24.8794 -178.474 PRESSAVG: 1077800 -36.8612 -69.7508 -39.4132 -69.7508 57.1234 11.509 -39.4132 11.5091 17.0633 GPRESSAVG: 1077800 -36.4599 -67.3459 -40.6993 -70.2314 56.6196 10.3083 -37.3179 11.3918 17.2544 TIMING: 1077800 CPU: 3470.45, 0.00317432/step Wall: 3470.45, 0.00317432/step, 3.45842 hours remaining, 232.257812 MB of memory in use. ENERGY: 1077800 4027.7177 20581.5808 14486.7986 229.3917 -203379.8854 2482.9539 0.0000 0.0000 51894.7667 -109676.6760 298.2399 -161571.4427 -109320.4651 299.0712 -3.4406 27.3025 758964.9921 12.4418 12.4714 PRESSURE: 1078000 -127.074 -17.2998 257.126 -17.3 121.254 84.3593 257.128 84.3588 -311.49 GPRESSURE: 1078000 -145.77 -42.1837 239.33 13.8868 196.851 142.976 248.242 153.092 -283.672 PRESSAVG: 1078000 27.8681 2.71674 0.212342 2.7167 18.162 -24.6433 0.212307 -24.6433 2.98051 GPRESSAVG: 1078000 28.1568 1.82854 2.44805 0.860691 17.6455 -24.0636 -0.216473 -24.9064 2.95345 TIMING: 1078000 CPU: 3471.09, 0.0031835/step Wall: 3471.09, 0.00318351/step, 3.46825 hours remaining, 232.257812 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: 1078000 3985.6495 20536.8483 14445.8356 239.1793 -203693.9706 2620.1888 0.0000 0.0000 51951.7950 -109914.4741 298.5677 -161866.2690 -109556.1921 298.3195 -105.7701 -77.5302 759060.1920 16.3369 16.2519 PRESSURE: 1078200 99.093 109.981 -56.0533 109.982 209.15 -107.656 -56.0525 -107.657 292.651 GPRESSURE: 1078200 127.876 199.022 -76.3421 -32.5697 294.91 -111.818 3.84431 -86.1643 269.34 PRESSAVG: 1078200 -73.304 -11.2287 19.267 -11.2287 24.7855 -33.2997 19.267 -33.2997 3.24164 GPRESSAVG: 1078200 -73.359 -13.4964 18.4231 -11.9442 25.9839 -33.8615 19.3894 -33.4848 2.72968 TIMING: 1078200 CPU: 3471.72, 0.00316671/step Wall: 3471.72, 0.00316671/step, 3.44978 hours remaining, 232.257812 MB of memory in use. ENERGY: 1078200 4013.7101 20410.1214 14505.8848 235.8773 -203918.2258 2722.9020 0.0000 0.0000 52133.0063 -109896.7239 299.6091 -162029.7302 -109527.5675 298.4661 200.2980 230.7088 759328.3768 -15.0923 -14.8818 PRESSURE: 1078400 232.571 170.127 -45.9421 170.127 270.642 17.2278 -45.9423 17.2275 225.221 GPRESSURE: 1078400 283.083 111.478 20.7565 157.067 318.164 43.1778 -117.373 -4.95749 211.563 PRESSAVG: 1078400 -1.39236 -9.85227 21.1373 -9.85226 24.5693 -0.0292654 21.1373 -0.0292121 17.3368 GPRESSAVG: 1078400 -1.06434 -9.33969 23.4823 -6.96813 25.0866 -0.554644 20.3084 2.63534 16.4432 TIMING: 1078400 CPU: 3472.36, 0.00317448/step Wall: 3472.36, 0.00317448/step, 3.45807 hours remaining, 232.257812 MB of memory in use. ENERGY: 1078400 4068.5206 20445.6976 14500.8022 253.0045 -203552.5771 2590.1876 0.0000 0.0000 52059.6038 -109634.7607 299.1873 -161694.3645 -109263.0472 298.6901 242.8112 270.9367 759785.4828 13.5046 13.4885 PRESSURE: 1078600 -99.5716 -120.815 -99.8123 -120.814 -57.6363 -22.7302 -99.8126 -22.7298 -113.805 GPRESSURE: 1078600 35.8412 -23.5082 -39.493 29.4588 -128.698 -83.4572 -108.654 -47.0329 -118.693 PRESSAVG: 1078600 47.351 30.2667 80.0468 30.2667 -6.95205 -9.74513 80.0468 -9.74515 6.40495 GPRESSAVG: 1078600 46.0696 31.9051 79.582 28.3608 -6.34371 -9.72818 79.4757 -9.78921 7.55129 TIMING: 1078600 CPU: 3473, 0.00319546/step Wall: 3473, 0.00319546/step, 3.48074 hours remaining, 232.257812 MB of memory in use. ENERGY: 1078600 3987.5088 20619.5553 14438.8046 251.3944 -203215.2546 2378.3364 0.0000 0.0000 52015.3232 -109524.3319 298.9328 -161539.6551 -109164.4614 299.1832 -90.3377 -70.5167 760862.8376 15.6013 15.7591 PRESSURE: 1078800 -43.773 65.0141 -71.1697 65.0147 215.781 43.9439 -71.1703 43.9437 193.224 GPRESSURE: 1078800 23.6782 -176.628 -195.704 55.7043 257.622 92.411 32.9193 160.695 177.017 PRESSAVG: 1078800 -14.6603 -33.7246 31.7269 -33.7245 -12.2634 -43.708 31.7269 -43.7079 -37.4442 GPRESSAVG: 1078800 -15.406 -35.0125 29.7699 -31.9854 -11.6644 -42.1248 34.7482 -45.0278 -37.5475 TIMING: 1078800 CPU: 3473.63, 0.00318914/step Wall: 3473.63, 0.00318914/step, 3.47368 hours remaining, 232.257812 MB of memory in use. ENERGY: 1078800 3978.4169 20567.4722 14437.4303 252.4834 -203627.6314 2801.1183 0.0000 0.0000 52319.1951 -109271.5152 300.6791 -161590.7103 -108911.9584 299.2425 121.7439 152.7724 759037.3515 -21.4560 -21.5393 PRESSURE: 1079000 144.491 29.9672 46.4013 29.9679 -23.6036 63.1729 46.401 63.1731 137.762 GPRESSURE: 1079000 91.6747 -38.2559 70.6897 8.27621 69.6527 136.887 118.33 -117.304 177.137 PRESSAVG: 1079000 -18.5362 8.64409 36.8128 8.64404 55.677 -12.7351 36.8128 -12.735 -8.55549 GPRESSAVG: 1079000 -17.3927 7.22404 39.2314 7.97521 54.4834 -14.9323 35.2276 -12.1891 -8.34979 TIMING: 1079000 CPU: 3474.27, 0.00320384/step Wall: 3474.27, 0.00320384/step, 3.48952 hours remaining, 232.257812 MB of memory in use. ENERGY: 1079000 3965.0088 20646.9734 14502.5811 231.2562 -202893.1578 2417.7641 0.0000 0.0000 52285.2352 -108844.3389 300.4840 -161129.5742 -108482.7358 300.3352 86.2165 112.8216 762128.4276 9.5284 9.5803 PRESSURE: 1079200 -204.853 -95.9353 -66.5448 -95.9353 -112.547 -79.7733 -66.545 -79.7734 -142.178 GPRESSURE: 1079200 -173.271 -56.2078 -16.2301 7.40155 21.2858 -45.4399 -200.64 -10.3509 -232.13 PRESSAVG: 1079200 -0.83681 -39.1854 -41.9407 -39.1854 5.95574 -18.4463 -41.9406 -18.4463 20.195 GPRESSAVG: 1079200 -1.26122 -35.827 -45.4503 -40.2732 6.57509 -18.5774 -41.5556 -19.4819 20.0316 TIMING: 1079200 CPU: 3474.92, 0.00320374/step Wall: 3474.92, 0.00320374/step, 3.48922 hours remaining, 232.257812 MB of memory in use. ENERGY: 1079200 4001.8173 20570.7467 14539.1658 258.0348 -202914.7216 2332.2564 0.0000 0.0000 52390.1012 -108822.5994 301.0866 -161212.7006 -108455.5585 300.4711 -153.1928 -128.0383 761107.4188 8.4380 8.4485 PRESSURE: 1079400 -313.842 35.686 152.157 35.6871 -96.8362 -126.956 152.157 -126.956 -231.887 GPRESSURE: 1079400 -244.726 19.5531 194.362 -7.44662 -145.437 -126.862 143.376 -205.975 -158.849 PRESSAVG: 1079400 -23.6033 -64.4252 -37.0578 -64.4252 16.5513 -12.4994 -37.0578 -12.4994 -7.81312 GPRESSAVG: 1079400 -22.351 -65.4489 -34.714 -63.3859 15.4497 -10.409 -39.1778 -13.9138 -8.19009 TIMING: 1079400 CPU: 3475.56, 0.00323919/step Wall: 3475.56, 0.00323919/step, 3.52766 hours remaining, 232.257812 MB of memory in use. ENERGY: 1079400 4023.0682 20523.4034 14408.1772 246.9075 -203066.9884 2634.0297 0.0000 0.0000 52312.6418 -108918.7605 300.6415 -161231.4024 -108550.7976 300.8879 -214.1885 -183.0043 760493.6094 -4.9551 -5.0305 PRESSURE: 1079600 10.2788 -30.4462 76.8392 -30.4458 175.13 -205.915 76.8385 -205.915 75.7327 GPRESSURE: 1079600 17.2112 17.577 4.22552 -2.34746 240.155 -241.368 109.899 -50.0406 101.845 PRESSAVG: 1079600 -45.9915 -50.9228 57.1452 -50.9228 17.5384 22.1807 57.1452 22.1806 -36.2947 GPRESSAVG: 1079600 -46.6663 -50.5181 57.1168 -50.7685 17.2557 20.47 58.5233 22.5801 -35.2534 TIMING: 1079600 CPU: 3476.21, 0.0032173/step Wall: 3476.21, 0.0032173/step, 3.50364 hours remaining, 232.257812 MB of memory in use. ENERGY: 1079600 4015.5914 20520.8301 14422.4358 254.7578 -202956.6771 2652.1844 0.0000 0.0000 52223.5270 -108867.3506 300.1293 -161090.8776 -108507.9024 300.4941 87.0472 119.7371 763015.0767 -21.5826 -21.5546 PRESSURE: 1079800 -254.888 -166.284 159.853 -166.283 149.525 328.148 159.853 328.147 193.452 GPRESSURE: 1079800 -268.013 -99.3139 186.416 -256.098 230.057 366.298 284.727 169.415 219.836 PRESSAVG: 1079800 -43.0729 -56.4688 51.9912 -56.4688 -4.56226 14.1746 51.9911 14.1746 26.6059 GPRESSAVG: 1079800 -43.3737 -55.1268 52.4863 -59.1411 -4.24328 15.4656 49.7676 13.3142 26.1174 TIMING: 1079800 CPU: 3476.84, 0.00318422/step Wall: 3476.84, 0.00318422/step, 3.46744 hours remaining, 232.257812 MB of memory in use. ENERGY: 1079800 3960.6929 20515.4801 14407.0466 242.9457 -202592.8760 2474.6065 0.0000 0.0000 52005.8950 -108986.2091 298.8786 -160992.1042 -108618.6183 300.1889 29.3631 60.6271 762661.8873 -7.0097 -7.1665 PRESSURE: 1080000 -257.66 -169.659 -157.506 -169.659 22.9127 182.535 -157.507 182.537 12.4362 GPRESSURE: 1080000 -201.203 -215.603 -175.037 -129.675 52.4062 203.216 -84.2645 161.397 8.66332 PRESSAVG: 1080000 -12.636 -11.1092 13.3864 -11.1091 -20.4439 -13.0608 13.3864 -13.0608 -7.93729 GPRESSAVG: 1080000 -13.4854 -11.7022 12.82 -9.52456 -20.1157 -12.0252 14.9958 -12.9676 -7.4562 TIMING: 1080000 CPU: 3477.49, 0.00321064/step Wall: 3477.49, 0.00321064/step, 3.49603 hours remaining, 232.257812 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: 1080000 4027.0324 20632.6086 14430.8410 264.1321 -202737.9152 2422.4272 0.0000 0.0000 51925.7483 -109035.1254 298.4180 -160960.8738 -108674.4429 299.4803 -74.1038 -46.7112 763925.9242 -13.6724 -13.6858 PRESSURE: 1080200 29.2378 -86.9717 -13.4554 -86.9729 -225.291 -333.676 -13.4559 -333.676 -194.219 GPRESSURE: 1080200 120.2 -87.2403 -1.53509 -85.2306 -191.171 -273.835 -94.2103 -178.839 -224.767 PRESSAVG: 1080200 -25.7326 -26.1951 20.0353 -26.1951 23.6388 -9.68414 20.0352 -9.68417 3.80089 GPRESSAVG: 1080200 -23.9066 -27.3587 20.3765 -24.2791 22.8394 -11.974 20.6416 -8.84945 3.08524 TIMING: 1080200 CPU: 3478.12, 0.00317592/step Wall: 3478.12, 0.00317592/step, 3.45805 hours remaining, 232.257812 MB of memory in use. ENERGY: 1080200 4014.6264 20615.6972 14429.7660 255.7545 -202934.8235 2241.7372 0.0000 0.0000 52416.9983 -108960.2440 301.2412 -161377.2423 -108597.3368 300.5983 -130.0907 -98.5791 761356.6771 0.5690 0.6727 LDB: ============= START OF LOAD BALANCING ============== 3490.55 LDB: ============== END OF LOAD BALANCING =============== 3490.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3490.55 LDB: ============= START OF LOAD BALANCING ============== 3490.86 LDB: Largest compute 7048 load 0.034486 is 17.6% of average load 0.195439 LDB: Average compute 0.004409 is 2.3% of average load 0.195439 LDB: TIME 3490.87 LOAD: AVG 0.195439 MAX 0.217298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.891 MB LDB: TIME 3490.87 LOAD: AVG 0.195439 MAX 0.217298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: TIME 3490.87 LOAD: AVG 0.195439 MAX 0.217298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: ============== END OF LOAD BALANCING =============== 3490.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3490.87 PRESSURE: 1080400 -38.5687 -149.752 -104.659 -149.753 -148.472 -76.2158 -104.66 -76.2156 -244.201 GPRESSURE: 1080400 -66.5586 -77.2078 -98.0617 -8.79413 -59.457 -127.643 -97.3235 -12.3139 -230.339 PRESSAVG: 1080400 -22.6387 -13.6666 -0.525479 -13.6666 0.416906 43.7436 -0.525537 43.7437 8.34818 GPRESSAVG: 1080400 -23.6545 -12.1773 -2.253 -15.9901 1.36714 44.3387 0.0561019 43.6935 8.96183 TIMING: 1080400 CPU: 3478.77, 0.00323407/step Wall: 3478.77, 0.00323407/step, 3.52119 hours remaining, 231.843750 MB of memory in use. ENERGY: 1080400 4011.3420 20776.2809 14502.3725 244.5904 -202987.3638 2316.1228 0.0000 0.0000 52165.8683 -108970.7870 299.7980 -161136.6553 -108621.0944 300.8970 -143.7473 -118.7849 762098.1765 -4.6245 -4.4419 PRESSURE: 1080600 -106.015 -51.1363 96.1815 -51.1366 -235.945 87.8324 96.1809 87.8336 269.416 GPRESSURE: 1080600 -52.3691 53.3246 63.7623 -124.905 -232.097 95.2923 182.886 -83.5497 272.548 PRESSAVG: 1080600 14.7772 -63.0109 -49.6186 -63.0109 24.8264 53.2683 -49.6186 53.2682 -15.2739 GPRESSAVG: 1080600 15.8311 -64.2303 -48.701 -64.7184 25.2819 54.2823 -50.8191 51.1678 -16.5145 TIMING: 1080600 CPU: 3479.41, 0.00320499/step Wall: 3479.41, 0.00320499/step, 3.48934 hours remaining, 232.101562 MB of memory in use. ENERGY: 1080600 4052.2800 20667.0365 14422.7610 251.7430 -203197.3244 2390.2431 0.0000 0.0000 52554.3412 -108858.9197 302.0305 -161413.2609 -108497.5703 300.3079 -24.1811 -3.9729 760315.3089 8.1099 8.1995 PRESSURE: 1080800 -50.1579 -57.4789 -112.719 -57.4793 -259.795 149.167 -112.72 149.169 -221.285 GPRESSURE: 1080800 40.8985 -59.527 -104.127 64.2618 -201.75 166.329 -100.781 53.7845 -314.004 PRESSAVG: 1080800 -32.734 -63.2475 30.6236 -63.2474 11.0376 38.164 30.6236 38.164 17.0795 GPRESSAVG: 1080800 -33.2258 -63.3661 29.1125 -59.9259 11.2551 38.6687 31.7305 38.219 17.104 TIMING: 1080800 CPU: 3480.05, 0.00318942/step Wall: 3480.05, 0.00318942/step, 3.47222 hours remaining, 232.101562 MB of memory in use. ENERGY: 1080800 4061.4208 20701.8313 14439.2420 239.7166 -202876.4840 2163.4485 0.0000 0.0000 52376.4920 -108894.3328 301.0084 -161270.8247 -108522.9876 300.5492 -177.0792 -158.2850 761913.1985 -1.5390 -1.6222 PRESSURE: 1081000 12.8157 39.0419 -226.319 39.0423 316.759 63.9558 -226.318 63.9559 -125.6 GPRESSURE: 1081000 193.906 15.7722 -286.161 21.6687 221.965 105.951 -15.2506 99.477 -137.032 PRESSAVG: 1081000 -42.3123 -82.1537 -8.94097 -82.1537 21.4439 5.72237 -8.94089 5.72237 -19.7275 GPRESSAVG: 1081000 -41.1347 -82.2067 -6.95556 -84.9888 20.0174 5.28263 -8.3235 7.53501 -19.2029 TIMING: 1081000 CPU: 3480.68, 0.00317398/step Wall: 3480.68, 0.00317398/step, 3.45523 hours remaining, 232.101562 MB of memory in use. ENERGY: 1081000 4061.2439 20626.6915 14560.2872 257.9864 -202898.4394 2302.9323 0.0000 0.0000 52063.7540 -109025.5441 299.2111 -161089.2980 -108668.3625 300.3447 67.9914 92.9462 760579.6926 -13.5320 -13.4401 PRESSURE: 1081200 -109.597 173.077 -64.8264 173.077 -296.565 46.5415 -64.8263 46.5409 -50.9023 GPRESSURE: 1081200 -92.5431 259.692 -132.777 108.196 -341.65 36.589 -104.905 100.135 48.9944 PRESSAVG: 1081200 9.82586 -36.1251 30.8526 -36.1251 -15.8041 24.2546 30.8526 24.2546 20.6088 GPRESSAVG: 1081200 9.51809 -36.5657 31.707 -32.3364 -15.5507 22.9899 28.4285 25.1857 20.9633 TIMING: 1081200 CPU: 3481.32, 0.00318618/step Wall: 3481.32, 0.00318618/step, 3.46833 hours remaining, 232.101562 MB of memory in use. ENERGY: 1081200 3924.6636 20527.4070 14429.1662 263.8971 -203142.9283 2388.8116 0.0000 0.0000 52454.7314 -109154.2513 301.4581 -161608.9827 -108774.3122 299.7073 -152.3548 -128.3997 760793.8203 4.8769 4.9769 PRESSURE: 1081400 33.478 -11.6441 -16.7312 -11.6444 -316.054 133.85 -16.7312 133.85 -144.855 GPRESSURE: 1081400 81.3562 -37.9916 -25.3246 147.262 -224.913 75.4578 15.889 32.5987 -203.968 PRESSAVG: 1081400 17.1112 -69.9629 -17.2632 -69.9629 -24.3492 23.078 -17.2633 23.078 -4.28052 GPRESSAVG: 1081400 16.2228 -67.7269 -18.3633 -71.5895 -23.3229 24.4289 -16.1203 20.3004 -4.74517 TIMING: 1081400 CPU: 3481.96, 0.0032049/step Wall: 3481.96, 0.0032049/step, 3.48853 hours remaining, 232.101562 MB of memory in use. ENERGY: 1081400 4021.0485 20829.6421 14447.7361 276.4831 -203289.3505 2433.5552 0.0000 0.0000 52007.4275 -109273.4580 298.8874 -161280.8855 -108913.3629 299.6553 -142.4767 -115.8416 760903.6721 -3.8395 -3.9484 PRESSURE: 1081600 60.3997 -351.098 36.2707 -351.098 35.4326 -33.7843 36.2705 -33.7848 239.041 GPRESSURE: 1081600 38.6073 -227.488 -121.465 -373.251 178.753 -8.47702 119.702 -57.1932 203.839 PRESSAVG: 1081600 23.0252 -56.2506 23.2114 -56.2506 -62.6387 10.1545 23.2114 10.1546 -13.8402 GPRESSAVG: 1081600 24.1359 -56.9978 23.2981 -57.5932 -63.4463 8.20147 24.2345 11.0659 -13.7714 TIMING: 1081600 CPU: 3482.6, 0.00318818/step Wall: 3482.6, 0.00318818/step, 3.47015 hours remaining, 232.101562 MB of memory in use. ENERGY: 1081600 3963.0437 20618.1789 14465.9980 244.9786 -203347.9384 2660.1656 0.0000 0.0000 51964.8303 -109430.7433 298.6426 -161395.5736 -109067.7479 299.2902 111.6246 140.3997 759739.9058 -17.8179 -17.6939 PRESSURE: 1081800 45.4191 -117.176 -41.3224 -117.176 76.5264 309.986 -41.3228 309.987 281.324 GPRESSURE: 1081800 86.1348 -80.5812 -9.91743 -72.6636 111.803 331.157 -176.714 275.435 282.191 PRESSAVG: 1081800 -13.5714 -61.3559 4.36521 -61.3559 53.7793 -46.0661 4.36524 -46.0661 10.3579 GPRESSAVG: 1081800 -13.3901 -62.7481 5.28053 -61.7242 52.7911 -43.2414 3.21425 -47.2899 11.4172 TIMING: 1081800 CPU: 3483.23, 0.00317255/step Wall: 3483.23, 0.00317254/step, 3.45296 hours remaining, 232.101562 MB of memory in use. ENERGY: 1081800 3897.4768 20745.5234 14505.2205 255.6447 -203505.8817 2579.1817 0.0000 0.0000 51974.5398 -109548.2948 298.6984 -161522.8346 -109181.6981 299.0670 134.4232 160.0429 760205.7632 16.8552 16.9394 PRESSURE: 1082000 -209.416 174.333 48.9772 174.334 139.729 -5.68264 48.9778 -5.68415 256.607 GPRESSURE: 1082000 -135.623 122.192 85.1315 132.5 144.233 -26.8968 21.611 -36.9294 258.41 PRESSAVG: 1082000 51.8286 -67.2243 -29.472 -67.2243 -69.9932 35.6598 -29.4721 35.6597 1.88616 GPRESSAVG: 1082000 52.5812 -66.3789 -30.6719 -65.901 -68.5708 36.1513 -29.5304 35.291 0.313963 TIMING: 1082000 CPU: 3483.87, 0.00318025/step Wall: 3483.87, 0.00318025/step, 3.46117 hours remaining, 232.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1082000 3987.0814 20600.8637 14543.4846 250.5440 -203339.1318 2435.8804 0.0000 0.0000 52045.5685 -109475.7092 299.1066 -161521.2777 -109112.0113 299.2525 62.3070 89.0068 760556.6413 -5.4261 -5.2252 PRESSURE: 1082200 185.022 -52.2706 -58.0107 -52.2713 102.392 123.668 -58.0118 123.669 -62.1495 GPRESSURE: 1082200 138.497 14.1551 -77.7308 16.8169 181.596 87.2964 -35.94 159.652 -19.0371 PRESSAVG: 1082200 1.38215 -7.06254 2.50229 -7.06252 -72.3271 -26.3832 2.50228 -26.3832 -20.4384 GPRESSAVG: 1082200 0.670083 -7.1594 3.89572 -5.87734 -72.6612 -28.1754 2.18167 -25.4338 -19.2993 TIMING: 1082200 CPU: 3484.5, 0.00317692/step Wall: 3484.5, 0.00317692/step, 3.45738 hours remaining, 232.171875 MB of memory in use. ENERGY: 1082200 3945.6085 20529.4261 14470.4702 241.7800 -203314.4341 2224.5579 0.0000 0.0000 52295.9119 -109606.6796 300.5453 -161902.5915 -109233.2248 299.3072 75.0880 100.3520 760490.9391 -30.4611 -30.4302 PRESSURE: 1082400 -299.082 -189.814 144.359 -189.814 -373.265 -232.607 144.36 -232.607 -288.984 GPRESSURE: 1082400 -209.621 -86.8867 78.2789 -226.244 -328.626 -250.03 60.1615 -199.617 -339.239 PRESSAVG: 1082400 -26.3173 -43.1149 86.8558 -43.1149 48.0107 -15.3036 86.8558 -15.3036 11.9923 GPRESSAVG: 1082400 -25.8153 -41.5663 88.5783 -46.2285 48.4345 -15.0095 85.13 -14.5651 11.7385 TIMING: 1082400 CPU: 3485.14, 0.00319445/step Wall: 3485.14, 0.00319445/step, 3.47627 hours remaining, 232.171875 MB of memory in use. ENERGY: 1082400 4065.5474 20465.5913 14439.1807 254.1148 -203242.1610 2305.0720 0.0000 0.0000 52099.2129 -109613.4419 299.4149 -161712.6548 -109247.8375 299.7231 -320.4437 -292.4953 762009.0603 11.2286 11.4526 PRESSURE: 1082600 -584.042 -0.150106 60.6212 -0.149318 -279.403 216.135 60.6214 216.136 -232.027 GPRESSURE: 1082600 -581.589 36.8706 109.596 64.7657 -265.884 122.779 43.614 249.279 -165.032 PRESSAVG: 1082600 -67.2575 -24.5652 -17.1914 -24.5652 13.1704 -16.9595 -17.1914 -16.9594 6.64115 GPRESSAVG: 1082600 -66.9433 -26.2756 -17.9827 -23.4564 13.4278 -17.004 -15.9726 -17.1368 6.21552 TIMING: 1082600 CPU: 3485.78, 0.00317461/step Wall: 3485.78, 0.00317461/step, 3.45451 hours remaining, 232.171875 MB of memory in use. ENERGY: 1082600 4019.7331 20440.2314 14473.3836 221.6235 -203140.9440 2283.5018 0.0000 0.0000 52010.4795 -109691.9912 298.9049 -161702.4706 -109330.3933 299.2895 -365.1573 -337.5019 762551.8994 -15.8153 -15.7666 PRESSURE: 1082800 161.432 65.4529 235.667 65.4521 -271.973 45.1688 235.668 45.1685 167.862 GPRESSURE: 1082800 151.62 59.4427 159.62 90.1969 -134.09 -26.5373 242.012 53.7487 108.029 PRESSAVG: 1082800 104.495 -17.1454 24.4201 -17.1455 -44.3299 48.9499 24.4201 48.9499 -8.27124 GPRESSAVG: 1082800 104.504 -17.357 23.5783 -17.0567 -45.2256 49.6007 24.5416 47.8741 -7.95712 TIMING: 1082800 CPU: 3486.42, 0.00320545/step Wall: 3486.42, 0.00320545/step, 3.48789 hours remaining, 232.171875 MB of memory in use. ENERGY: 1082800 3947.7372 20586.3679 14543.6475 248.0474 -203553.9239 2327.4636 0.0000 0.0000 52154.7291 -109745.9312 299.7339 -161900.6603 -109386.9658 299.3941 19.1068 41.8531 761230.4469 17.2981 17.1071 PRESSURE: 1083000 -179.302 50.8997 23.9436 50.9002 -191.734 -73.1306 23.9442 -73.1297 96.0689 GPRESSURE: 1083000 -122.161 82.1602 -12.4867 127.014 -135.301 30.0862 -16.9112 -154.117 69.8438 PRESSAVG: 1083000 58.8676 32.3319 22.4463 32.3319 -62.0779 -17.9416 22.4463 -17.9417 -2.80265 GPRESSAVG: 1083000 58.8241 34.9661 23.805 32.7666 -62.3294 -19.8898 20.3635 -17.036 -2.20468 TIMING: 1083000 CPU: 3487.05, 0.00315416/step Wall: 3487.05, 0.00315416/step, 3.4319 hours remaining, 232.171875 MB of memory in use. ENERGY: 1083000 3959.6063 20407.0150 14490.4141 269.0996 -203650.3980 2448.1934 0.0000 0.0000 52011.7273 -110064.3424 298.9121 -162076.0696 -109696.8050 298.6939 -91.6555 -62.5392 758557.7633 -2.0043 -1.9033 PRESSURE: 1083200 69.4118 -130.28 -151.935 -130.28 -43.7102 -61.247 -151.937 -61.2476 299.74 GPRESSURE: 1083200 134.378 -103.789 -54.0896 -120.679 -15.7195 -60.9796 -44.6472 59.492 302.472 PRESSAVG: 1083200 13.982 9.00113 48.7976 9.00112 -2.24391 -63.0935 48.7975 -63.0934 4.80492 GPRESSAVG: 1083200 14.777 7.1652 48.4995 9.23664 -2.02228 -60.9295 52.4742 -63.7259 3.51786 TIMING: 1083200 CPU: 3487.69, 0.00318069/step Wall: 3487.69, 0.00318069/step, 3.46059 hours remaining, 232.171875 MB of memory in use. ENERGY: 1083200 4067.4918 20473.5290 14533.4230 262.6851 -203645.3497 2497.8625 0.0000 0.0000 51965.1839 -109845.1744 298.6446 -161810.3584 -109492.2157 298.4810 108.4806 140.3768 759384.3541 5.5144 5.4242 PRESSURE: 1083400 105.333 -153.541 -48.8819 -153.541 228.465 153.654 -48.8827 153.654 711.591 GPRESSURE: 1083400 240.988 -123.063 -67.2797 -112.927 183.359 129.986 -100.181 239.197 715.862 PRESSAVG: 1083400 49.011 -30.5752 22.4979 -30.5753 -29.561 -12.0229 22.4978 -12.0229 13.888 GPRESSAVG: 1083400 48.2995 -29.8545 19.841 -32.5361 -28.956 -13.3002 21.6395 -11.2036 14.3719 TIMING: 1083400 CPU: 3488.32, 0.00317109/step Wall: 3488.32, 0.00317109/step, 3.44997 hours remaining, 232.171875 MB of memory in use. ENERGY: 1083400 3966.2335 20285.3154 14485.9054 241.9255 -203822.1685 2720.3347 0.0000 0.0000 52109.5239 -110012.9302 299.4741 -162122.4541 -109653.1936 298.8298 348.4631 380.0696 759338.9911 11.1127 11.2385 PRESSURE: 1083600 -328.548 30.4959 190.768 30.4971 -43.2379 192.85 190.768 192.849 -227.096 GPRESSURE: 1083600 -301.074 11.4992 75.6066 -38.3549 52.4007 208 85.4544 159.445 -259.819 PRESSAVG: 1083600 32.5944 -55.7329 80.237 -55.7329 -18.2164 23.3457 80.237 23.3458 -9.42085 GPRESSAVG: 1083600 32.4763 -58.074 81.0449 -53.7501 -18.6706 23.4564 80.0734 24.4843 -9.13996 TIMING: 1083600 CPU: 3488.96, 0.0031799/step Wall: 3488.96, 0.0031799/step, 3.45937 hours remaining, 232.171875 MB of memory in use. ENERGY: 1083600 4054.7628 20498.1565 14387.0608 247.2907 -203507.2507 2370.3158 0.0000 0.0000 52062.4591 -109887.2050 299.2037 -161949.6641 -109524.2243 298.5598 -199.6272 -169.4972 759989.3561 1.6524 1.5553 PRESSURE: 1083800 193.165 -102.656 -24.0118 -102.655 2.79215 143.868 -24.0118 143.867 -302.062 GPRESSURE: 1083800 235.365 -75.778 49.5643 -150.541 26.4388 191.633 39.0812 110.215 -299.644 PRESSAVG: 1083800 32.2474 -26.869 46.4895 -26.869 -26.8977 36.4786 46.4895 36.4785 -12.8248 GPRESSAVG: 1083800 31.5184 -26.3394 46.7575 -28.1609 -25.2202 36.8045 47.1845 35.2923 -13.5859 TIMING: 1083800 CPU: 3489.59, 0.0031937/step Wall: 3489.59, 0.0031937/step, 3.47421 hours remaining, 232.171875 MB of memory in use. ENERGY: 1083800 4019.9210 20585.9976 14487.6137 244.7138 -203676.6892 2440.9501 0.0000 0.0000 51914.1617 -109983.3313 298.3514 -161897.4931 -109626.3319 298.4171 -35.3682 -12.6134 759154.7459 -2.4917 -2.4292 PRESSURE: 1084000 158.588 106.581 -2.72159 106.582 -117.5 29.1207 -2.72171 29.1212 -228.924 GPRESSURE: 1084000 112.085 182.105 -46.4621 123.498 -27.7822 -58.2819 35.672 121.872 -215.563 PRESSAVG: 1084000 -9.7621 -25.9577 64.6985 -25.9577 -6.93148 42.5266 64.6985 42.5266 13.9795 GPRESSAVG: 1084000 -8.37775 -25.0197 63.4933 -27.0126 -9.12479 41.6943 63.1146 43.1046 14.1671 TIMING: 1084000 CPU: 3490.24, 0.00320598/step Wall: 3490.24, 0.00320598/step, 3.4874 hours remaining, 232.171875 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: 1084000 4012.0602 20628.7006 14495.5664 230.4060 -203682.8088 2450.8282 0.0000 0.0000 51854.8010 -110010.4462 298.0103 -161865.2472 -109642.7119 298.1787 -62.6123 -43.7532 760931.3159 -0.9047 -1.1118 PRESSURE: 1084200 -163.286 43.692 -93.6941 43.693 -65.667 0.21793 -93.693 0.217466 8.28868 GPRESSURE: 1084200 -303.721 52.3685 -81.6425 30.8183 37.8052 14.814 50.4193 -13.8631 117.965 PRESSAVG: 1084200 42.7124 -5.21643 31.5744 -5.21638 -6.44002 55.1677 31.5743 55.1677 -6.77225 GPRESSAVG: 1084200 41.7083 -7.67513 33.7517 -2.84082 -4.47091 54.7811 32.5502 53.9965 -7.69724 TIMING: 1084200 CPU: 3490.87, 0.00318949/step Wall: 3490.87, 0.00318949/step, 3.46928 hours remaining, 232.171875 MB of memory in use. ENERGY: 1084200 3979.2989 20342.3013 14495.4811 253.6750 -204019.7560 2947.2687 0.0000 0.0000 51867.3202 -110134.4108 298.0822 -162001.7310 -109773.1981 298.2332 -73.5548 -49.3167 761126.2079 9.8334 9.8467 LDB: ============= START OF LOAD BALANCING ============== 3503.3 LDB: ============== END OF LOAD BALANCING =============== 3503.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3503.3 LDB: ============= START OF LOAD BALANCING ============== 3503.62 LDB: Largest compute 7075 load 0.034098 is 17.4% of average load 0.195583 LDB: Average compute 0.004421 is 2.3% of average load 0.195583 LDB: TIME 3503.62 LOAD: AVG 0.195583 MAX 0.212557 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.305 MB LDB: TIME 3503.62 LOAD: AVG 0.195583 MAX 0.212557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: TIME 3503.62 LOAD: AVG 0.195583 MAX 0.212557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: ============== END OF LOAD BALANCING =============== 3503.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3503.63 PRESSURE: 1084400 -242.124 -83.937 38.978 -83.936 77.7529 209.434 38.9786 209.433 63.8293 GPRESSURE: 1084400 -158.73 -41.3314 79.5229 -18.3288 71.0088 260.356 -47.0005 286.405 58.4912 PRESSAVG: 1084400 -14.4092 -30.8803 -51.3461 -30.8804 -8.03304 54.8218 -51.3461 54.8218 2.71772 GPRESSAVG: 1084400 -14.1695 -29.0221 -53.5264 -30.242 -9.27092 57.6851 -51.3876 54.4859 4.13369 TIMING: 1084400 CPU: 3491.52, 0.00324322/step Wall: 3491.52, 0.00324322/step, 3.52754 hours remaining, 232.031250 MB of memory in use. ENERGY: 1084400 3954.1259 20507.2860 14466.4225 236.5046 -203612.3977 2429.9030 0.0000 0.0000 51897.1705 -110120.9851 298.2538 -162018.1556 -109760.9332 298.3850 -33.5139 -9.7434 758944.8714 -6.5748 -6.4356 PRESSURE: 1084600 240.179 16.5743 2.83344 16.5744 -146.065 -185.275 2.83354 -185.274 -349.245 GPRESSURE: 1084600 209.18 -42.7697 -75.427 -15.8689 -117.635 -243.081 -83.7856 -195.914 -255.507 PRESSAVG: 1084600 21.4752 -15.0152 -37.5994 -15.0152 18.573 30.733 -37.5994 30.7329 28.6776 GPRESSAVG: 1084600 19.9573 -13.5086 -37.1542 -16.5862 20.437 26.9897 -37.9587 32.8255 28.1423 TIMING: 1084600 CPU: 3492.16, 0.00319251/step Wall: 3492.16, 0.00319251/step, 3.47221 hours remaining, 232.101562 MB of memory in use. ENERGY: 1084600 4036.8013 20426.1318 14527.8882 255.2219 -203790.9619 2493.7410 0.0000 0.0000 51824.4800 -110226.6977 297.8360 -162051.1777 -109868.6666 298.4649 -85.0434 -54.6539 759410.5114 22.9086 22.8455 PRESSURE: 1084800 331.925 143.118 -13.576 143.118 -86.5182 -174.92 -13.5755 -174.919 125.232 GPRESSURE: 1084800 369.785 174.922 -24.8085 120.311 -45.9919 -157.866 12.9864 -110.301 133.578 PRESSAVG: 1084800 -30.4071 4.52399 -37.9896 4.52392 -4.2517 -17.8101 -37.9896 -17.8102 -7.55074 GPRESSAVG: 1084800 -27.6007 5.02861 -37.6578 4.11965 -5.88905 -15.6681 -38.0895 -18.8917 -8.37503 TIMING: 1084800 CPU: 3492.8, 0.00318258/step Wall: 3492.8, 0.00318258/step, 3.46123 hours remaining, 232.101562 MB of memory in use. ENERGY: 1084800 4066.1134 20505.4060 14499.3556 247.6894 -203870.2493 2823.8101 0.0000 0.0000 51777.7601 -109950.1147 297.5675 -161727.8748 -109599.1897 297.8199 123.5463 152.4568 761116.9568 -14.0699 -13.9549 PRESSURE: 1085000 -261.929 36.6419 142.389 36.6415 -495.416 -82.4153 142.389 -82.4159 -60.383 GPRESSURE: 1085000 -285.104 -27.4212 230.424 63.6936 -414.855 -72.9227 140.697 -35.4911 -21.341 PRESSAVG: 1085000 22.0083 -12.0337 6.81658 -12.0337 2.95804 -29.5146 6.81658 -29.5146 7.57525 GPRESSAVG: 1085000 20.7053 -14.6618 7.33444 -11.9261 3.57708 -29.5539 7.95188 -29.802 7.88718 TIMING: 1085000 CPU: 3493.43, 0.00315959/step Wall: 3493.43, 0.00315959/step, 3.43605 hours remaining, 232.101562 MB of memory in use. ENERGY: 1085000 4040.6558 20494.9722 14488.4926 236.1661 -203612.6190 2615.4794 0.0000 0.0000 51908.9826 -109827.8704 298.3216 -161736.8530 -109464.0823 298.2659 -272.5761 -240.4335 761538.7451 10.8472 10.7232 PRESSURE: 1085200 -129.444 22.879 67.8282 22.8788 260.77 -46.6082 67.8297 -46.6076 -411.442 GPRESSURE: 1085200 -62.5937 -23.4202 38.8788 18.0913 302.032 46.0892 100.261 -25.2399 -427.207 PRESSAVG: 1085200 45.8595 -18.4977 -9.26201 -18.4977 -37.711 -9.68112 -9.262 -9.68108 -14.4763 GPRESSAVG: 1085200 44.7827 -16.2388 -9.0205 -18.8649 -36.8342 -10.0395 -11.3106 -9.81943 -14.4946 TIMING: 1085200 CPU: 3494.07, 0.00318187/step Wall: 3494.07, 0.00318187/step, 3.4601 hours remaining, 232.101562 MB of memory in use. ENERGY: 1085200 4005.2683 20532.0537 14477.0508 257.4785 -203781.3149 2636.5119 0.0000 0.0000 52320.9359 -109552.0157 300.6891 -161872.9516 -109190.3089 298.8080 -93.3718 -62.5898 759883.0269 -2.1093 -2.1820 PRESSURE: 1085400 -15.536 -148.728 -144.633 -148.729 15.6578 62.246 -144.635 62.2472 13.9721 GPRESSURE: 1085400 -37.8747 -127.126 -206.193 -48.3696 118.355 101.778 -70.2939 78.6365 22.7248 PRESSAVG: 1085400 -61.2493 -21.4212 18.0772 -21.4212 66.2213 -4.20197 18.0772 -4.20199 -2.26498 GPRESSAVG: 1085400 -60.0487 -23.6341 18.0426 -19.8524 65.4956 -4.39271 19.393 -2.27786 -2.62306 TIMING: 1085400 CPU: 3494.71, 0.00320812/step Wall: 3494.71, 0.00320812/step, 3.48847 hours remaining, 232.101562 MB of memory in use. ENERGY: 1085400 4043.0283 20619.0862 14468.4858 257.4953 -203767.2069 2801.6290 0.0000 0.0000 52099.7684 -109477.7139 299.4181 -161577.4823 -109135.4983 299.6174 4.6980 34.4018 760559.2956 0.9023 0.9413 PRESSURE: 1085600 170.873 -21.4334 -103.03 -21.4341 -236.348 335.105 -103.029 335.107 -295.019 GPRESSURE: 1085600 100.163 63.5157 -123.65 -75.231 -202.476 274.33 -49.4297 318.112 -173.045 PRESSAVG: 1085600 -31.5113 -44.38 -8.31394 -44.3801 10.4717 32.4898 -8.31393 32.4899 27.7935 GPRESSAVG: 1085600 -31.6793 -44.679 -8.81744 -47.0885 10.4078 32.8724 -7.64224 29.9037 27.7304 TIMING: 1085600 CPU: 3495.34, 0.0031749/step Wall: 3495.34, 0.0031749/step, 3.45218 hours remaining, 232.101562 MB of memory in use. ENERGY: 1085600 4095.7387 20477.0605 14493.4293 260.8851 -202789.5360 2143.8497 0.0000 0.0000 51953.5822 -109364.9905 298.5780 -161318.5727 -109004.3783 299.2676 -120.1646 -91.7858 762060.9644 2.2513 2.1530 PRESSURE: 1085800 -267.237 -164.09 269.733 -164.089 -139.122 21.4256 269.733 21.4264 -683.737 GPRESSURE: 1085800 -138.844 -100.921 190.754 -231.504 -130.995 -7.99666 220.141 194.463 -721.404 PRESSAVG: 1085800 6.01945 -35.655 45.0227 -35.6549 -18.4857 79.1396 45.0227 79.1396 25.2813 GPRESSAVG: 1085800 7.26689 -33.3744 44.596 -35.4369 -17.7021 78.6964 43.6103 82.1412 24.2693 TIMING: 1085800 CPU: 3495.98, 0.00319098/step Wall: 3495.98, 0.00319098/step, 3.46949 hours remaining, 232.101562 MB of memory in use. ENERGY: 1085800 4117.2032 20529.0665 14447.7642 258.6795 -203054.0374 2175.2229 0.0000 0.0000 52243.9528 -109282.1483 300.2467 -161526.1011 -108926.4160 299.6427 -363.3655 -330.4142 760122.4822 4.2717 4.6113 PRESSURE: 1086000 -219.756 -55.5055 46.2195 -55.5058 28.7481 -34.8064 46.2186 -34.8067 8.3573 GPRESSURE: 1086000 -241.138 -127.677 23.5495 7.46669 -12.3128 -57.1553 200.837 -36.5433 149.343 PRESSAVG: 1086000 -51.9572 -15.3526 34.3399 -15.3526 51.3185 53.3094 34.34 53.3094 -1.04617 GPRESSAVG: 1086000 -52.5024 -18.2653 35.2419 -9.81193 49.0842 54.7308 36.4932 50.2693 1.51522 TIMING: 1086000 CPU: 3496.62, 0.0032098/step Wall: 3496.62, 0.0032098/step, 3.48977 hours remaining, 232.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 3987.2187 20522.3266 14522.7829 242.4750 -202894.7790 2273.8821 0.0000 0.0000 52045.4372 -109300.6565 299.1058 -161346.0937 -108942.5083 299.4622 -60.8836 -34.7026 760192.8698 -0.5616 -0.6343 PRESSURE: 1086200 114.381 94.568 19.4636 94.5682 150.993 210.681 19.4632 210.68 445.218 GPRESSURE: 1086200 180.195 144.563 39.2878 -110.369 191.425 208.654 49.7599 283.247 421.91 PRESSAVG: 1086200 -53.402 47.7669 9.86701 47.7669 -11.7548 51.4747 9.86694 51.4747 5.24635 GPRESSAVG: 1086200 -52.6377 50.5481 10.4539 43.3979 -10.7489 51.3439 7.41793 51.958 2.8118 TIMING: 1086200 CPU: 3497.26, 0.00319553/step Wall: 3497.26, 0.00319553/step, 3.47407 hours remaining, 232.101562 MB of memory in use. ENERGY: 1086200 3989.9499 20609.3320 14497.5862 246.9430 -203256.7879 2645.7093 0.0000 0.0000 52109.2139 -109158.0537 299.4724 -161267.2675 -108797.1841 299.5429 236.8640 264.5099 760166.4974 -19.9702 -20.1916 PRESSURE: 1086400 57.08 -109.973 -237.854 -109.973 67.089 -59.3345 -237.853 -59.3354 228.545 GPRESSURE: 1086400 106.823 -127.012 -240.859 -222.564 114.283 -15.1295 -141.835 49.3229 238.903 PRESSAVG: 1086400 -52.6133 14.199 -39.8212 14.1991 34.4129 -3.99163 -39.8212 -3.99163 8.65737 GPRESSAVG: 1086400 -53.1016 11.3843 -39.48 14.4092 34.1548 -5.78317 -39.0483 -3.06695 9.88528 TIMING: 1086400 CPU: 3497.9, 0.00318807/step Wall: 3497.9, 0.00318807/step, 3.46579 hours remaining, 232.101562 MB of memory in use. ENERGY: 1086400 4000.3123 20527.9640 14473.8563 242.1995 -203463.2535 2716.1164 0.0000 0.0000 52211.5019 -109291.3031 300.0602 -161502.8050 -108925.8373 299.7042 117.5713 153.3363 759325.8176 -3.1810 -3.0205 PRESSURE: 1086600 462.192 43.3967 -191.298 43.3965 372.285 144.211 -191.299 144.212 167.028 GPRESSURE: 1086600 453.937 98.6251 -145.757 55.7701 394.736 46.8576 -167.201 5.76466 211.959 PRESSAVG: 1086600 -2.53182 -5.07235 -36.936 -5.07236 -24.0912 15.4865 -36.936 15.4865 -2.4474 GPRESSAVG: 1086600 -3.37411 -3.40633 -39.499 -4.12346 -23.3599 15.4477 -34.4516 15.4293 -2.73448 TIMING: 1086600 CPU: 3498.54, 0.00320472/step Wall: 3498.54, 0.00320472/step, 3.48371 hours remaining, 232.101562 MB of memory in use. ENERGY: 1086600 3945.7611 20528.2039 14487.4112 238.4371 -203340.5429 2683.8022 0.0000 0.0000 52016.4920 -109440.4354 298.9395 -161456.9274 -109073.4135 299.6598 333.8348 353.5440 758821.9422 -9.6901 -9.8228 PRESSURE: 1086800 578.486 76.7955 -127.067 76.7957 290.006 -12.0951 -127.067 -12.0942 231.365 GPRESSURE: 1086800 586.681 76.4957 -82.182 45.8531 315.026 -19.6072 -119.076 90.6942 290.049 PRESSAVG: 1086800 28.3942 55.3689 -51.5653 55.3689 -33.3293 11.0377 -51.5653 11.0377 18.1265 GPRESSAVG: 1086800 29.4161 56.8024 -49.448 53.6316 -33.9766 11.4159 -53.6865 12.5975 18.473 TIMING: 1086800 CPU: 3499.18, 0.00318683/step Wall: 3499.18, 0.00318683/step, 3.46409 hours remaining, 232.101562 MB of memory in use. ENERGY: 1086800 3950.5028 20452.8379 14484.9662 244.8174 -203785.7516 2958.1351 0.0000 0.0000 51979.1465 -109715.3455 298.7249 -161694.4921 -109366.3752 298.7118 366.6190 397.2520 760150.2170 4.3971 4.6375 PRESSURE: 1087000 111.192 -202.438 -121.736 -202.438 -82.8217 106.568 -121.736 106.568 53.3102 GPRESSURE: 1087000 117.598 -182.4 -130.608 -68.8073 28.7094 156.727 -122.469 142.497 33.1899 PRESSAVG: 1087000 -9.91495 -0.449555 5.25298 -0.449625 1.14353 32.2791 5.25298 32.2791 -7.75072 GPRESSAVG: 1087000 -10.5734 -3.37109 4.51881 1.19615 1.88308 33.809 6.42976 31.5989 -7.83436 TIMING: 1087000 CPU: 3499.82, 0.00319834/step Wall: 3499.82, 0.00319834/step, 3.47642 hours remaining, 232.101562 MB of memory in use. ENERGY: 1087000 3993.8014 20566.4324 14577.1844 248.8264 -203497.8050 2695.4168 0.0000 0.0000 51968.8566 -109447.2870 298.6657 -161416.1437 -109083.5123 299.0082 27.2267 59.8323 761913.0974 -5.5074 -5.5082 PRESSURE: 1087200 18.5582 10.4512 -56.4962 10.4515 -223.016 54.875 -56.4961 54.8738 194.214 GPRESSURE: 1087200 23.7504 83.3474 -83.7552 0.85801 -115.252 118.756 -121.75 -68.6872 169.626 PRESSAVG: 1087200 9.47231 -32.0236 -10.3911 -32.0235 -7.18829 28.3814 -10.3911 28.3814 -30.526 GPRESSAVG: 1087200 9.40441 -30.6734 -9.61157 -30.6738 -7.53463 26.2071 -10.7227 28.7165 -30.5546 TIMING: 1087200 CPU: 3500.46, 0.00319939/step Wall: 3500.46, 0.00319939/step, 3.47738 hours remaining, 232.101562 MB of memory in use. ENERGY: 1087200 4087.1408 20500.1048 14551.0850 250.2796 -203197.4334 2547.0554 0.0000 0.0000 52040.9423 -109220.8257 299.0800 -161261.7679 -108861.8616 299.7096 -3.4145 26.0415 760131.3063 -9.4140 -9.5616 PRESSURE: 1087400 -323.523 -3.43291 -34.7369 -3.43324 -363.382 -0.185882 -34.7371 -0.185607 84.812 GPRESSURE: 1087400 -157.197 -28.4041 21.1517 19.7598 -401.345 90.58 106.989 13.0583 20.6826 PRESSAVG: 1087400 10.8242 -19.3199 18.7445 -19.32 13.4862 -8.15668 18.7446 -8.15663 -7.27258 GPRESSAVG: 1087400 11.3995 -19.74 17.0388 -20.4336 13.2023 -8.47278 18.2136 -9.03256 -8.18782 TIMING: 1087400 CPU: 3501.1, 0.00319894/step Wall: 3501.1, 0.00319894/step, 3.47671 hours remaining, 232.101562 MB of memory in use. ENERGY: 1087400 4156.2399 20666.1386 14524.1685 243.9956 -202968.9763 2323.4365 0.0000 0.0000 51940.3252 -109114.6720 298.5018 -161054.9972 -108771.7358 300.5322 -200.6978 -179.2864 761232.2359 5.6793 5.4713 PRESSURE: 1087600 303.141 21.2521 -26.0926 21.2522 206.604 56.1891 -26.093 56.1883 139.642 GPRESSURE: 1087600 283.082 -108.318 24.5498 -63.6567 235.669 17.4532 16.4751 65.5889 194.099 PRESSAVG: 1087600 -17.4544 -29.7225 -2.219 -29.7225 3.59711 18.3288 -2.21902 18.3288 -13.2333 GPRESSAVG: 1087600 -18.9368 -30.6008 -1.24255 -30.8352 3.16864 19.9075 -1.9467 19.8331 -11.46 TIMING: 1087600 CPU: 3501.74, 0.00320608/step Wall: 3501.74, 0.00320608/step, 3.4843 hours remaining, 232.101562 MB of memory in use. ENERGY: 1087600 3939.1491 20612.9660 14532.3806 235.1388 -203218.1865 2487.0687 0.0000 0.0000 52062.7178 -109348.7654 299.2052 -161411.4832 -108989.5602 299.9337 216.4620 237.6163 759513.3250 -9.0302 -9.0761 PRESSURE: 1087800 313.601 39.8179 29.3308 39.8191 -94.6365 86.1972 29.3319 86.1977 -263.573 GPRESSURE: 1087800 329.723 94.0626 14.9984 -60.6046 -56.8989 86.6386 73.1921 44.0801 -239.957 PRESSAVG: 1087800 13.8048 27.0396 -22.5454 27.0397 -4.96546 16.2375 -22.5454 16.2375 -20.2009 GPRESSAVG: 1087800 13.9006 25.4042 -21.8785 27.7579 -6.17097 16.0246 -23.2963 13.9849 -19.6495 TIMING: 1087800 CPU: 3502.38, 0.00319625/step Wall: 3502.38, 0.00319625/step, 3.47344 hours remaining, 232.101562 MB of memory in use. ENERGY: 1087800 4014.4928 20598.6635 14546.7301 243.5572 -203119.1075 2368.5716 0.0000 0.0000 52003.3226 -109343.7696 298.8638 -161347.0922 -108983.3189 299.3539 -14.8697 10.9558 758831.0539 -3.7872 -3.9733 PRESSURE: 1088000 7.3011 -247.818 -76.0025 -247.819 142.597 78.0329 -76.0027 78.0332 -137.508 GPRESSURE: 1088000 -29.8962 -192.416 -70.3804 -77.4875 249.787 38.0134 -15.2071 83.9231 -115.952 PRESSAVG: 1088000 55.8038 19.0782 -16.4602 19.0783 -28.0713 -10.9604 -16.4602 -10.9604 20.4249 GPRESSAVG: 1088000 55.9483 20.1114 -16.832 20.3834 -27.5491 -9.20606 -17.4123 -11.0434 19.4244 TIMING: 1088000 CPU: 3503.02, 0.00320494/step Wall: 3503.02, 0.00320494/step, 3.48271 hours remaining, 232.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1088000 4021.6987 20499.5833 14552.8183 242.4301 -203213.3111 2555.8448 0.0000 0.0000 51901.3451 -109439.5909 298.2777 -161340.9360 -109065.0177 299.1039 4.1302 34.6462 760197.6830 16.0525 15.9412 PRESSURE: 1088200 300.534 22.1616 91.8738 22.1613 -426.803 -18.3167 91.8738 -18.3168 -591.943 GPRESSURE: 1088200 370.251 111.858 97.2804 -5.26687 -333.95 -41.3463 213.906 -1.27521 -663.205 PRESSAVG: 1088200 15.2962 31.9427 29.1023 31.9427 39.2459 14.1009 29.1022 14.101 12.3298 GPRESSAVG: 1088200 15.0913 34.5664 29.9549 30.87 39.7917 12.8352 29.6003 14.1051 12.1974 TIMING: 1088200 CPU: 3503.66, 0.00319626/step Wall: 3503.66, 0.00319626/step, 3.47309 hours remaining, 232.101562 MB of memory in use. ENERGY: 1088200 4062.6533 20483.8002 14478.2539 253.2549 -203291.7870 2429.0718 0.0000 0.0000 52068.8023 -109515.9505 299.2401 -161584.7528 -109150.2602 300.0681 -239.4040 -208.9678 759782.7524 22.2906 22.3601 LDB: ============= START OF LOAD BALANCING ============== 3516.08 LDB: ============== END OF LOAD BALANCING =============== 3516.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.08 LDB: ============= START OF LOAD BALANCING ============== 3516.4 LDB: Largest compute 7033 load 0.035697 is 18.3% of average load 0.195517 LDB: Average compute 0.004401 is 2.3% of average load 0.195517 LDB: TIME 3516.41 LOAD: AVG 0.195517 MAX 0.212813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.035 MB LDB: TIME 3516.41 LOAD: AVG 0.195517 MAX 0.212813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.184 MB LDB: TIME 3516.41 LOAD: AVG 0.195517 MAX 0.212813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.184 MB LDB: ============== END OF LOAD BALANCING =============== 3516.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.42 PRESSURE: 1088400 248.031 186.451 21.3358 186.45 221.949 56.0844 21.336 56.0839 265.445 GPRESSURE: 1088400 292.24 180.51 53.7693 164.131 214.873 21.7511 -19.5557 146.84 301.049 PRESSAVG: 1088400 34.5564 -21.8122 -7.7399 -21.8122 -28.2509 -18.786 -7.73995 -18.7861 2.77794 GPRESSAVG: 1088400 35.4207 -24.5919 -8.72763 -20.7288 -28.8093 -19.2019 -6.87912 -17.589 2.01998 TIMING: 1088400 CPU: 3504.31, 0.00325994/step Wall: 3504.31, 0.00325994/step, 3.5421 hours remaining, 229.390625 MB of memory in use. ENERGY: 1088400 3938.1512 20506.4218 14538.5610 255.2928 -203312.4390 2160.5955 0.0000 0.0000 52373.3515 -109540.0651 300.9904 -161913.4166 -109170.8271 299.2668 245.1417 269.3872 760127.7020 3.0278 2.8771 PRESSURE: 1088600 -25.4394 -14.1426 -305.227 -14.1428 -5.18765 -280.646 -305.226 -280.646 -374.93 GPRESSURE: 1088600 70.619 -19.1522 -266.249 63.9862 -63.1844 -245.641 -379.997 -251.523 -320.884 PRESSAVG: 1088600 51.0009 37.6905 9.64838 37.6905 -29.1054 -10.7288 9.64835 -10.7288 -9.87707 GPRESSAVG: 1088600 50.015 37.7551 9.51619 37.3685 -29.7848 -10.4928 9.65039 -10.4682 -8.617 TIMING: 1088600 CPU: 3504.95, 0.00317998/step Wall: 3504.95, 0.00317998/step, 3.45505 hours remaining, 229.390625 MB of memory in use. ENERGY: 1088600 3932.6252 20675.5412 14423.9899 275.0476 -203266.9073 2193.4087 0.0000 0.0000 52468.5233 -109297.7713 301.5373 -161766.2946 -108924.7313 299.8512 -135.1857 -104.4830 760802.5330 4.0061 3.8711 PRESSURE: 1088800 261.295 99.3482 42.6263 99.3476 456.203 -207.207 42.6262 -207.207 337.295 GPRESSURE: 1088800 203.483 88.9664 -0.65857 71.3825 546.182 -226.04 28.9995 -27.5868 394.95 PRESSAVG: 1088800 -6.15683 -11.9456 -2.33978 -11.9454 -11.3091 -21.7357 -2.33974 -21.7357 17.6038 GPRESSAVG: 1088800 -6.17179 -12.2174 -2.55146 -12.2395 -11.1386 -20.5118 -3.24906 -22.577 17.8064 TIMING: 1088800 CPU: 3505.59, 0.00320693/step Wall: 3505.59, 0.00320693/step, 3.48415 hours remaining, 229.390625 MB of memory in use. ENERGY: 1088800 3975.0171 20577.1629 14453.5794 254.4161 -203935.1627 3024.8554 0.0000 0.0000 52360.5176 -109289.6142 300.9166 -161650.1318 -108933.2190 299.9552 351.5977 381.5385 760187.0388 0.0459 0.1653 PRESSURE: 1089000 132.529 14.5631 82.6578 14.564 168.527 -34.2504 82.6568 -34.2496 -17.1331 GPRESSURE: 1089000 171.469 -10.9524 192.706 59.5982 233.895 -84.4217 73.3117 48.9866 -24.559 PRESSAVG: 1089000 -92.8781 11.487 -7.54853 11.4871 40.7145 -26.9484 -7.54856 -26.9485 0.931353 GPRESSAVG: 1089000 -93.687 11.4552 -7.83865 11.2396 41.8312 -27.6452 -6.80713 -25.2932 0.31648 TIMING: 1089000 CPU: 3506.23, 0.00320185/step Wall: 3506.23, 0.00320185/step, 3.47846 hours remaining, 229.390625 MB of memory in use. ENERGY: 1089000 4068.7251 20509.0058 14514.5212 258.0176 -203486.7091 2515.2229 0.0000 0.0000 52290.8685 -109330.3479 300.5163 -161621.2164 -108956.3383 299.6059 94.6409 126.9351 760338.7733 -17.0774 -17.1798 PRESSURE: 1089200 -520.963 44.3869 -35.0144 44.3873 -192.354 392.512 -35.0134 392.514 -204.009 GPRESSURE: 1089200 -416.739 58.1661 -40.0288 -41.022 -165.123 344.752 -7.95976 257.144 -239.277 PRESSAVG: 1089200 7.72819 -17.7128 -11.7451 -17.7127 5.07621 -6.08235 -11.7451 -6.0823 7.71193 GPRESSAVG: 1089200 9.21349 -17.6011 -12.9485 -18.9571 3.18295 -5.20619 -10.3165 -7.01102 8.28907 TIMING: 1089200 CPU: 3506.87, 0.00320985/step Wall: 3506.87, 0.00320985/step, 3.48697 hours remaining, 229.390625 MB of memory in use. ENERGY: 1089200 4053.6090 20592.0728 14558.2386 250.6291 -203068.2768 2176.1512 0.0000 0.0000 52003.5241 -109434.0519 298.8650 -161437.5760 -109066.3880 299.6963 -305.7753 -273.7129 761194.2594 6.8388 6.8952 PRESSURE: 1089400 13.1629 -86.7226 -123.711 -86.7238 -118.821 95.128 -123.711 95.1279 -223.075 GPRESSURE: 1089400 -65.6538 89.6456 -123.692 -3.50372 -99.6871 79.4297 -152.438 132.393 -94.1262 PRESSAVG: 1089400 -27.8438 8.78844 -16.9343 8.78836 37.9732 56.5397 -16.9343 56.5398 -14.2746 GPRESSAVG: 1089400 -27.6961 7.79419 -17.726 12.236 38.7369 55.4742 -18.2345 56.7288 -14.5173 TIMING: 1089400 CPU: 3507.51, 0.0031836/step Wall: 3507.51, 0.0031836/step, 3.45828 hours remaining, 229.390625 MB of memory in use. ENERGY: 1089400 4005.7122 20554.6669 14428.0043 261.7258 -203467.6855 2579.6257 0.0000 0.0000 52454.8161 -109183.1344 301.4585 -161637.9505 -108817.8365 300.1039 -109.5778 -86.4890 760589.7920 -1.3817 -1.1588 PRESSURE: 1089600 -277.284 -118.264 -16.6089 -118.265 25.5733 -214.152 -16.6095 -214.152 -117.045 GPRESSURE: 1089600 -220.408 -187.504 -58.1071 -155.963 13.9468 -146.576 64.6138 -174.726 -68.8338 PRESSAVG: 1089600 -56.6675 7.66897 7.12794 7.66898 74.9812 46.205 7.12786 46.2051 -3.43445 GPRESSAVG: 1089600 -57.7223 7.86066 7.58435 3.40317 75.0992 45.0284 8.46242 46.1705 -2.27253 TIMING: 1089600 CPU: 3508.14, 0.00319482/step Wall: 3508.14, 0.00319482/step, 3.47029 hours remaining, 229.390625 MB of memory in use. ENERGY: 1089600 4047.1198 20477.7323 14561.8578 239.6120 -203666.5330 2589.4407 0.0000 0.0000 52276.2176 -109474.5528 300.4321 -161750.7704 -109110.3543 300.5071 -122.9187 -91.7650 760551.2413 4.9598 5.0348 PRESSURE: 1089800 16.0337 -193.895 -54.2101 -193.896 41.4834 -288.026 -54.2113 -288.025 436.22 GPRESSURE: 1089800 26.3359 -172.845 -21.8587 -154.481 156.774 -349.412 -78.4073 -318.447 404.233 PRESSAVG: 1089800 21.2974 -9.94792 -10.4174 -9.94789 -13.7441 -35.414 -10.4174 -35.414 5.29128 GPRESSAVG: 1089800 22.2686 -9.05606 -9.52257 -9.08783 -13.3507 -34.7715 -12.6744 -37.1441 4.22479 TIMING: 1089800 CPU: 3508.78, 0.00316792/step Wall: 3508.78, 0.00316792/step, 3.44089 hours remaining, 229.390625 MB of memory in use. ENERGY: 1089800 4028.6340 20543.6314 14560.3478 245.6615 -203447.9103 2501.2097 0.0000 0.0000 52016.4959 -109551.9299 298.9395 -161568.4258 -109190.5583 299.3244 164.5791 195.7808 759904.0236 4.2815 4.3809 PRESSURE: 1090000 -14.5427 -67.6956 -72.635 -67.6966 -87.2166 -172.445 -72.6351 -172.444 -278.655 GPRESSURE: 1090000 -3.61671 -167.947 -129.925 -100.122 -70.4328 -166.119 -5.97786 -218.258 -220.283 PRESSAVG: 1090000 -1.86019 -34.9934 -6.79523 -34.9934 -6.60146 -25.5117 -6.7953 -25.5117 -9.45337 GPRESSAVG: 1090000 -0.780556 -35.9472 -8.16797 -33.1502 -7.31084 -24.415 -5.86797 -24.9476 -10.2611 TIMING: 1090000 CPU: 3509.42, 0.00321555/step Wall: 3509.42, 0.00321555/step, 3.49245 hours remaining, 229.390625 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: 1090000 3970.2229 20511.5782 14524.2808 233.7709 -203704.8295 2620.8555 0.0000 0.0000 52534.4230 -109309.6979 301.9161 -161844.1210 -108947.5219 299.6575 -126.8049 -98.1109 758768.0626 -5.9717 -6.1175 PRESSURE: 1090200 -350.472 82.2092 22.0946 82.2086 8.47149 -39.954 22.0939 -39.9541 -364.526 GPRESSURE: 1090200 -318.331 26.5202 -49.6221 35.583 3.57793 -99.6998 -8.51135 -32.5521 -309.078 PRESSAVG: 1090200 -56.7632 -16.5234 -22.4625 -16.5233 72.7176 1.39366 -22.4624 1.39364 5.18953 GPRESSAVG: 1090200 -57.7799 -16.1287 -20.8105 -16.2296 72.2701 -1.34782 -24.8935 1.90954 6.51675 TIMING: 1090200 CPU: 3510.06, 0.00321675/step Wall: 3510.06, 0.00321675/step, 3.49357 hours remaining, 229.390625 MB of memory in use. ENERGY: 1090200 4096.5877 20505.2040 14557.8249 240.6297 -203420.0481 2457.8384 0.0000 0.0000 51944.0885 -109617.8750 298.5234 -161561.9635 -109266.9117 299.9075 -235.5090 -207.9437 758375.8913 7.0480 7.0023 PRESSURE: 1090400 188.991 8.79469 -95.7902 8.7954 -305.471 -14.6721 -95.79 -14.6728 77.6004 GPRESSURE: 1090400 172.714 133.962 -75.874 -25.0595 -202.875 43.1875 -113.589 -71.9007 59.9567 PRESSAVG: 1090400 -44.8245 16.5942 -73.8993 16.5941 54.4225 -4.38079 -73.8994 -4.3808 13.5734 GPRESSAVG: 1090400 -45.4923 16.4185 -72.8561 14.9101 56.2926 -3.66125 -72.5976 -5.37274 12.3871 TIMING: 1090400 CPU: 3510.71, 0.00320329/step Wall: 3510.71, 0.00320329/step, 3.47877 hours remaining, 229.390625 MB of memory in use. ENERGY: 1090400 3983.8207 20607.7392 14607.5349 231.2780 -203883.1328 2692.8532 0.0000 0.0000 52313.6020 -109446.3048 300.6470 -161759.9068 -109085.9342 299.9386 -12.9599 9.9318 758544.4611 7.7238 7.7291 PRESSURE: 1090600 -164.136 -86.2655 -207.1 -86.2651 72.1308 146.06 -207.1 146.059 157.209 GPRESSURE: 1090600 -102.287 -114.397 -117.023 -29.6128 97.7541 241.344 -117.705 89.7761 162.268 PRESSAVG: 1090600 -27.0848 -7.51397 -67.3024 -7.51395 24.068 1.95198 -67.3024 1.95203 5.44882 GPRESSAVG: 1090600 -26.4572 -7.8882 -68.2205 -5.6467 23.6767 3.70643 -66.96 2.54328 5.6698 TIMING: 1090600 CPU: 3511.34, 0.00319622/step Wall: 3511.34, 0.00319622/step, 3.47092 hours remaining, 229.390625 MB of memory in use. ENERGY: 1090600 3997.5903 20675.7205 14535.9560 261.2989 -203354.7603 2681.3659 0.0000 0.0000 52010.5462 -109192.2824 298.9053 -161202.8286 -108828.4090 299.9896 21.7346 52.5782 760373.8056 0.8107 0.9631 PRESSURE: 1090800 -41.9438 -54.2355 -140.487 -54.2353 588.549 -176.332 -140.488 -176.33 584.868 GPRESSURE: 1090800 -20.3308 67.1803 -91.939 -82.9729 646.314 -257.531 6.80805 -116.771 566.837 PRESSAVG: 1090800 -43.8731 -45.7575 -0.346636 -45.7575 37.7968 -40.7979 -0.346663 -40.7979 -5.61859 GPRESSAVG: 1090800 -43.4547 -46.8664 0.250093 -45.8987 36.7311 -41.5706 0.926091 -39.9361 -5.52119 TIMING: 1090800 CPU: 3511.99, 0.00324497/step Wall: 3511.99, 0.00324497/step, 3.52367 hours remaining, 229.390625 MB of memory in use. ENERGY: 1090800 4027.4321 20635.6298 14465.0320 246.3590 -203776.6943 2885.5410 0.0000 0.0000 52455.3173 -109061.3831 301.4614 -161516.7005 -108692.2996 300.7462 377.1579 397.6068 759521.5583 -3.8983 -4.0816 PRESSURE: 1091000 -225.237 -251.772 150.775 -251.773 -162.493 -256.74 150.776 -256.74 -166.655 GPRESSURE: 1091000 -275.513 -297.674 135.168 -281.767 -32.1384 -270.14 133.019 -184.268 -182.571 PRESSAVG: 1091000 -60.0795 -59.6017 26.026 -59.6017 76.3502 -3.80484 26.026 -3.80476 -4.31967 GPRESSAVG: 1091000 -60.3349 -58.7901 24.9687 -60.5316 77.2158 -3.57388 27.7917 -4.52677 -4.66121 TIMING: 1091000 CPU: 3512.64, 0.00323582/step Wall: 3512.64, 0.00323582/step, 3.51357 hours remaining, 229.390625 MB of memory in use. ENERGY: 1091000 4005.0420 20646.8071 14461.8389 248.6338 -203033.2137 2292.2999 0.0000 0.0000 52430.0158 -108948.5761 301.3160 -161378.5919 -108575.5201 300.2694 -184.7948 -163.4076 760315.3234 3.9837 4.0732 PRESSURE: 1091200 -328.244 -76.8778 77.4866 -76.8773 -63.832 -73.9152 77.4862 -73.9139 -510.024 GPRESSURE: 1091200 -300.329 7.32271 76.4136 4.79908 -79.5779 -43.7002 44.4885 -7.53266 -439.96 PRESSAVG: 1091200 -48.4498 -67.1651 -45.2718 -67.1651 87.4386 27.8189 -45.2717 27.819 -3.4861 GPRESSAVG: 1091200 -48.6637 -66.7912 -43.7872 -64.4094 88.0864 28.6529 -45.5449 28.3002 -3.28086 TIMING: 1091200 CPU: 3513.27, 0.00315894/step Wall: 3513.27, 0.00315894/step, 3.4299 hours remaining, 229.390625 MB of memory in use. ENERGY: 1091200 4085.2434 20611.2650 14552.9439 258.3696 -203205.7314 2490.5628 0.0000 0.0000 52198.4633 -109008.8835 299.9853 -161207.3467 -108646.3848 300.5313 -300.7000 -273.2890 759909.3943 11.8342 12.0473 PRESSURE: 1091400 -300.188 -287.908 -45.4398 -287.909 200.934 158.096 -45.4398 158.095 -157.975 GPRESSURE: 1091400 -236.206 -154.784 -140.791 -186.783 274.575 253.832 -131.836 50.207 -192.549 PRESSAVG: 1091400 -38.0682 -89.9789 -27.7697 -89.9789 21.4502 -16.5268 -27.7696 -16.5267 14.7835 GPRESSAVG: 1091400 -37.8935 -88.0668 -28.3433 -90.5134 21.3299 -16.7922 -29.6214 -17.8806 14.8752 TIMING: 1091400 CPU: 3513.92, 0.00325177/step Wall: 3513.92, 0.00325177/step, 3.53052 hours remaining, 229.390625 MB of memory in use. ENERGY: 1091400 4034.9475 20495.1810 14504.9272 245.7034 -203300.3897 2665.9009 0.0000 0.0000 52140.0758 -109213.6538 299.6497 -161353.7296 -108842.0627 300.1458 -85.7431 -51.3934 759986.0578 -0.6115 -0.5628 PRESSURE: 1091600 -73.9316 31.3529 -65.4472 31.3532 -140.598 165.972 -65.4468 165.972 -340.15 GPRESSURE: 1091600 21.8304 -77.3006 -176.488 -89.2588 -212.922 175.689 -74.3162 116.757 -257.272 PRESSAVG: 1091600 -1.40429 -60.5953 -1.63377 -60.5953 13.6368 35.2428 -1.63374 35.2428 -13.8761 GPRESSAVG: 1091600 -1.22071 -64.1692 -2.28516 -60.0909 12.9157 35.2405 -2.65755 33.1717 -13.5793 TIMING: 1091600 CPU: 3514.57, 0.00323657/step Wall: 3514.57, 0.00323657/step, 3.51384 hours remaining, 229.390625 MB of memory in use. ENERGY: 1091600 3991.8148 20418.2278 14512.0915 234.8126 -202882.0115 2244.2633 0.0000 0.0000 52283.0220 -109197.7795 300.4712 -161480.8015 -108834.1144 300.4663 -184.8930 -149.4545 760279.3693 -0.5478 -0.6281 PRESSURE: 1091800 43.3356 -70.9071 -88.5065 -70.9069 -382.748 151.238 -88.5061 151.238 42.1394 GPRESSURE: 1091800 56.4786 -179.246 -33.2529 -63.0172 -276.703 197.377 -105.452 52.2729 17.0986 PRESSAVG: 1091800 -3.68143 -56.8501 -39.2217 -56.85 -10.5355 41.6444 -39.2218 41.6443 9.60131 GPRESSAVG: 1091800 -4.26169 -54.22 -39.8809 -59.226 -10.5221 41.3672 -37.6459 42.1712 10.1353 TIMING: 1091800 CPU: 3515.22, 0.00322667/step Wall: 3515.22, 0.00322667/step, 3.50291 hours remaining, 229.390625 MB of memory in use. ENERGY: 1091800 3931.7507 20414.9015 14494.2469 272.0445 -203262.1864 2709.1035 0.0000 0.0000 52056.2539 -109383.8854 299.1680 -161440.1393 -109021.4910 299.5408 -99.0909 -67.7085 761405.4998 -1.5386 -1.5495 PRESSURE: 1092000 -148.339 -58.6887 -67.2658 -58.6887 -171.81 188.547 -67.2647 188.547 -266.728 GPRESSURE: 1092000 -144.09 -33.53 -27.5887 -78.5792 -191.551 187.712 -23.8359 22.3294 -176.649 PRESSAVG: 1092000 19.4003 -21.9735 15.776 -21.9735 -15.0224 35.39 15.776 35.3901 27.403 GPRESSAVG: 1092000 19.7319 -22.7349 14.3523 -21.701 -15.6759 34.3737 15.022 36.3621 27.3403 TIMING: 1092000 CPU: 3515.86, 0.00321081/step Wall: 3515.86, 0.00321081/step, 3.48551 hours remaining, 229.390625 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: 1092000 3908.5576 20556.6390 14520.5677 246.3839 -203056.8799 2189.7554 0.0000 0.0000 52326.1719 -109308.8043 300.7192 -161634.9762 -108953.6763 299.7401 -195.6255 -170.7635 760155.9934 10.5936 10.4654 PRESSURE: 1092200 -208.673 -9.08634 -8.02314 -9.08664 -42.1206 -17.7317 -8.02203 -17.7314 -379.009 GPRESSURE: 1092200 -128.896 90.2718 -99.5757 34.2128 -58.9653 -14.8145 64.2536 123.099 -359.52 PRESSAVG: 1092200 37.8799 -19.2651 -23.0416 -19.2651 -20.9235 57.3082 -23.0416 57.3081 -0.134593 GPRESSAVG: 1092200 37.3277 -19.0014 -21.7439 -16.9589 -19.3052 56.3963 -23.2384 59.8639 -0.494477 TIMING: 1092200 CPU: 3516.5, 0.00321127/step Wall: 3516.5, 0.00321127/step, 3.48583 hours remaining, 229.390625 MB of memory in use. ENERGY: 1092200 3917.7886 20438.8993 14509.4657 238.7744 -202954.6667 2172.5228 0.0000 0.0000 52084.7784 -109592.4376 299.3319 -161677.2159 -109220.6067 298.8162 -209.9340 -182.4603 761910.9984 5.6073 5.8427 LDB: ============= START OF LOAD BALANCING ============== 3528.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3528.92 LDB: =============== DONE WITH MIGRATION ================ 3528.93 LDB: ============= START OF LOAD BALANCING ============== 3529.25 LDB: Largest compute 7070 load 0.036230 is 18.5% of average load 0.195615 LDB: Average compute 0.004416 is 2.3% of average load 0.195615 LDB: TIME 3529.25 LOAD: AVG 0.195615 MAX 0.21717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.184 MB LDB: TIME 3529.25 LOAD: AVG 0.195615 MAX 0.21717 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: TIME 3529.25 LOAD: AVG 0.195615 MAX 0.21717 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: ============== END OF LOAD BALANCING =============== 3529.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3529.26 PRESSURE: 1092400 -410.057 -271.645 -173.348 -271.644 -20.1781 109.491 -173.348 109.491 -160.542 GPRESSURE: 1092400 -400.668 -207.364 -126.009 -341.582 13.1649 15.2882 -98.0948 84.7949 -120.488 PRESSAVG: 1092400 -34.1768 -35.4175 -33.6018 -35.4176 6.83622 37.1398 -33.6018 37.1398 -10.2332 GPRESSAVG: 1092400 -34.0397 -34.4113 -32.525 -36.6774 5.34505 37.6162 -34.1932 37.1333 -9.44059 TIMING: 1092400 CPU: 3517.15, 0.00325695/step Wall: 3517.15, 0.00325695/step, 3.53524 hours remaining, 231.445312 MB of memory in use. ENERGY: 1092400 3884.6694 20490.1388 14580.3957 253.9041 -203256.3116 2532.3919 0.0000 0.0000 51871.6720 -109643.1398 298.1072 -161514.8118 -109284.4909 298.3816 -196.9255 -169.3304 761541.5331 -12.5246 -12.7118 PRESSURE: 1092600 292.249 58.759 89.3835 58.7592 199.61 -85.1885 89.3826 -85.1878 37.2625 GPRESSURE: 1092600 310.296 26.5491 112.5 44.8627 277.727 -76.238 141.383 -31.5 29.9359 PRESSAVG: 1092600 24.7423 -50.9846 -25.5384 -50.9846 -12.2591 -4.27797 -25.5385 -4.27797 9.56796 GPRESSAVG: 1092600 26.4223 -48.6504 -25.1662 -53.8075 -13.1047 -3.64719 -24.6783 -6.12613 9.04071 TIMING: 1092600 CPU: 3517.79, 0.00319003/step Wall: 3517.79, 0.00319003/step, 3.46242 hours remaining, 231.703125 MB of memory in use. ENERGY: 1092600 3974.7054 20426.9845 14590.9677 232.6158 -203359.1322 2692.5102 0.0000 0.0000 52066.0002 -109375.3484 299.2240 -161441.3486 -109009.5856 298.7413 176.3738 205.9862 759875.3414 7.3504 7.4528 PRESSURE: 1092800 -124.63 -114.245 -15.1616 -114.245 -305.408 124.381 -15.1604 124.381 -634.822 GPRESSURE: 1092800 -147.836 -85.2338 -31.8442 -102.79 -197.193 88.4155 -89.6953 13.243 -636.291 PRESSAVG: 1092800 -24.7605 -63.8384 -69.8428 -63.8384 3.48372 28.821 -69.8428 28.821 -10.8115 GPRESSAVG: 1092800 -26.9398 -68.2085 -70.8839 -61.1026 5.40198 30.4735 -69.6302 28.0386 -11.3942 TIMING: 1092800 CPU: 3518.44, 0.00324831/step Wall: 3518.44, 0.00324831/step, 3.5255 hours remaining, 231.703125 MB of memory in use. ENERGY: 1092800 4008.5551 20522.3238 14564.6926 245.6416 -203096.5882 2286.0435 0.0000 0.0000 52200.2281 -109269.1035 299.9954 -161469.3316 -108908.2641 299.4112 -354.9532 -327.1066 760454.6089 -10.6961 -10.9773 PRESSURE: 1093000 -237.63 16.7983 -90.6799 16.7973 33.1291 69.7629 -90.6789 69.7626 195.743 GPRESSURE: 1093000 -163.677 -1.74555 -196.595 22.4029 -6.92149 93.2147 -165.576 95.4576 238.605 PRESSAVG: 1093000 -26.1695 -54.9661 -29.648 -54.9661 -14.6832 67.2778 -29.648 67.2777 5.48807 GPRESSAVG: 1093000 -25.8643 -54.6668 -30.229 -55.1236 -15.4257 65.1839 -31.2323 66.4914 5.74776 TIMING: 1093000 CPU: 3519.09, 0.00325285/step Wall: 3519.09, 0.00325285/step, 3.53025 hours remaining, 231.703125 MB of memory in use. ENERGY: 1093000 3918.0187 20373.0676 14560.9124 245.1298 -203129.0621 2573.2951 0.0000 0.0000 52171.6830 -109286.9556 299.8314 -161458.6386 -108914.7624 299.1989 -2.9195 22.6690 760542.6477 -11.7882 -11.8474 PRESSURE: 1093200 -35.329 -47.7722 88.6659 -47.7723 -267.8 -118.321 88.6661 -118.321 -386.118 GPRESSURE: 1093200 29.5438 -118.799 106.509 16.1158 -260.484 -113.295 218.575 -88.6165 -378.787 PRESSAVG: 1093200 30.0361 -31.8332 27.6439 -31.8332 -22.2287 71.6448 27.6438 71.6447 -17.8628 GPRESSAVG: 1093200 31.2802 -30.7158 29.2436 -33.0353 -23.8018 74.9472 27.9838 73.653 -17.6488 TIMING: 1093200 CPU: 3519.73, 0.00319412/step Wall: 3519.73, 0.00319412/step, 3.46633 hours remaining, 231.703125 MB of memory in use. ENERGY: 1093200 4046.9212 20653.0761 14547.5958 252.5839 -203204.6143 2482.9524 0.0000 0.0000 51980.9842 -109240.5007 298.7354 -161221.4849 -108889.2394 299.2272 -229.7492 -203.2425 760921.8443 -3.3518 -3.3901 PRESSURE: 1093400 279.48 -109.642 21.5442 -109.641 135.528 241.434 21.5436 241.435 440.438 GPRESSURE: 1093400 261.736 -161.021 -53.9089 -76.9874 178.069 249.421 127.725 151.48 498.519 PRESSAVG: 1093400 -10.4713 1.11936 1.0396 1.11935 -12.4341 58.9974 1.03961 58.9974 -28.5712 GPRESSAVG: 1093400 -11.6569 -0.894612 -0.633101 3.90739 -11.8976 57.3574 2.64844 56.1424 -28.1252 TIMING: 1093400 CPU: 3520.37, 0.00322428/step Wall: 3520.37, 0.00322428/step, 3.49888 hours remaining, 231.703125 MB of memory in use. ENERGY: 1093400 3972.7109 20605.3908 14501.0254 248.0440 -203552.3389 2856.5756 0.0000 0.0000 52187.6922 -109180.9002 299.9234 -161368.5924 -108819.0630 299.4316 285.1484 312.7746 760498.3758 -17.1589 -17.2266 PRESSURE: 1093600 -26.1465 69.8048 131.787 69.8037 60.0867 167.922 131.786 167.921 122.293 GPRESSURE: 1093600 -2.18398 122.934 54.2209 84.2343 72.9693 113.7 107.586 128.115 188.567 PRESSAVG: 1093600 15.7909 20.1134 -9.2102 20.1135 32.0473 75.1751 -9.21026 75.1752 18.1806 GPRESSAVG: 1093600 14.9622 20.589 -8.61987 16.8507 32.4927 74.4625 -10.3967 76.5912 17.905 TIMING: 1093600 CPU: 3521.02, 0.00321282/step Wall: 3521.02, 0.00321282/step, 3.48626 hours remaining, 231.703125 MB of memory in use. ENERGY: 1093600 4047.7127 20642.8690 14503.4403 247.3831 -203046.8470 2554.8383 0.0000 0.0000 51872.8315 -109177.7720 298.1139 -161050.6035 -108809.7659 300.0844 52.0778 86.4507 761662.4056 22.0063 21.7866 PRESSURE: 1093800 -321.542 77.7358 124.198 77.7354 -113.751 232.123 124.198 232.123 -226.195 GPRESSURE: 1093800 -191.928 39.3524 70.2542 111.217 -118.239 154.225 135.996 217.905 -240.049 PRESSAVG: 1093800 -10.9968 -4.44904 -3.78653 -4.44914 0.0567588 28.4059 -3.78647 28.4058 24.8706 GPRESSAVG: 1093800 -9.95506 -3.49768 -4.50157 -4.4754 -0.854604 28.6574 -4.30827 29.6769 24.1526 TIMING: 1093800 CPU: 3521.66, 0.00322213/step Wall: 3521.66, 0.00322213/step, 3.49619 hours remaining, 231.703125 MB of memory in use. ENERGY: 1093800 4058.3364 20497.7013 14490.9046 238.0669 -202975.2471 2323.3730 0.0000 0.0000 52038.9920 -109327.8729 299.0688 -161366.8650 -108972.6373 299.6093 -220.4960 -183.4056 760345.0584 4.6435 4.4476 PRESSURE: 1094000 -231.605 -210.318 -128.318 -210.316 -205.116 -113.998 -128.318 -113.997 250.124 GPRESSURE: 1094000 -173.419 -180.594 -104.837 -85.7472 -187.44 -42.7254 -106.693 -139.137 248.095 PRESSAVG: 1094000 24.5812 -29.9 5.79345 -29.9001 -11.6833 -19.2248 5.79353 -19.2248 -25.2958 GPRESSAVG: 1094000 23.9237 -29.6757 5.01226 -27.4481 -11.8762 -19.444 8.47315 -19.5505 -24.4413 TIMING: 1094000 CPU: 3522.3, 0.00321712/step Wall: 3522.3, 0.00321712/step, 3.49057 hours remaining, 231.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1094000 4057.3318 20555.2008 14517.6130 271.0973 -203222.2610 2509.5591 0.0000 0.0000 51988.0048 -109323.4542 298.7758 -161311.4590 -108968.3554 299.5131 -62.1991 -37.5879 760112.5510 -4.1326 -4.1313 PRESSURE: 1094200 346.325 44.1635 -11.2973 44.1638 -118.589 -86.2508 -11.2972 -86.2514 622.739 GPRESSURE: 1094200 394.28 127.188 -78.8285 6.64069 -93.9743 -44.5302 -33.9712 -132.735 634.943 PRESSAVG: 1094200 20.6145 -31.5026 4.50226 -31.5026 -13.9777 24.8568 4.50223 24.8568 21.2781 GPRESSAVG: 1094200 21.74 -31.676 6.30319 -33.6824 -14.317 24.2965 2.43706 23.4437 20.4115 TIMING: 1094200 CPU: 3522.94, 0.00320217/step Wall: 3522.94, 0.00320217/step, 3.47418 hours remaining, 231.703125 MB of memory in use. ENERGY: 1094200 3974.7650 20443.4339 14443.0502 252.9402 -203207.9681 2549.0550 0.0000 0.0000 52529.2205 -109015.5033 301.8862 -161544.7237 -108652.1983 300.3822 283.4916 311.7498 759674.4972 9.3050 9.2782 PRESSURE: 1094400 -201.71 -103.593 32.7696 -103.593 -84.4026 170.352 32.77 170.352 -281.264 GPRESSURE: 1094400 -129.541 -218.665 98.9266 -135.065 -81.7762 189.307 -85.002 120.612 -272.585 PRESSAVG: 1094400 15.6714 -63.9607 -24.0001 -63.9607 -6.38752 74.7524 -24.0001 74.7524 8.86123 GPRESSAVG: 1094400 15.4213 -63.9249 -23.4042 -63.8094 -6.42425 78.0046 -24.3061 76.1716 9.57483 TIMING: 1094400 CPU: 3523.58, 0.00318609/step Wall: 3523.58, 0.00318609/step, 3.45656 hours remaining, 231.703125 MB of memory in use. ENERGY: 1094400 4012.6894 20367.8231 14499.9936 252.2697 -202924.5893 2566.7107 0.0000 0.0000 52138.8250 -109086.2779 299.6425 -161225.1029 -108713.6120 300.1754 -189.1256 -161.3009 761627.5681 6.0484 6.1906 PRESSURE: 1094600 -66.6081 135.91 -60.1987 135.91 -178.739 -74.9523 -60.1984 -74.9545 -125.645 GPRESSURE: 1094600 41.935 14.3057 -47.4852 56.0797 -167.749 -22.8792 11.9549 -23.3063 -146.279 PRESSAVG: 1094600 35.2549 -50.0583 -17.2703 -50.0583 -25.9006 91.7828 -17.2703 91.7828 2.07095 GPRESSAVG: 1094600 34.5624 -50.9236 -17.7343 -49.5917 -24.0375 90.0173 -16.6792 90.6604 0.877786 TIMING: 1094600 CPU: 3524.22, 0.00317269/step Wall: 3524.22, 0.00317269/step, 3.44184 hours remaining, 231.703125 MB of memory in use. ENERGY: 1094600 4007.3923 20489.4325 14516.4102 243.8744 -202939.4702 2338.3229 0.0000 0.0000 52184.5466 -109159.4913 299.9053 -161344.0378 -108796.9172 299.6559 -123.6640 -90.6976 760978.0834 3.8084 3.8009 PRESSURE: 1094800 52.042 -6.70586 -57.9461 -6.70659 198.092 -55.6626 -57.9455 -55.6612 356.965 GPRESSURE: 1094800 151.381 24.423 -88.6387 -117.578 129.089 -110.568 -36.1898 -15.0829 389.468 PRESSAVG: 1094800 23.8645 -85.3101 -9.87412 -85.3101 10.3351 17.7613 -9.87408 17.7613 8.68102 GPRESSAVG: 1094800 25.2853 -83.4695 -9.98618 -86.1688 7.8689 16.0937 -10.4425 19.2227 10.1742 TIMING: 1094800 CPU: 3524.85, 0.00318265/step Wall: 3524.85, 0.00318265/step, 3.45247 hours remaining, 231.703125 MB of memory in use. ENERGY: 1094800 4010.3474 20703.0920 14463.2439 252.9404 -203315.0007 2402.9215 0.0000 0.0000 52262.0011 -109220.4544 300.3504 -161482.4555 -108854.2956 299.6399 202.3661 223.3126 758168.4578 14.2935 14.4428 PRESSURE: 1095000 -11.8093 93.2743 264.884 93.2743 38.065 -21.829 264.884 -21.8287 -46.1076 GPRESSURE: 1095000 62.91 42.2203 330.948 115.741 37.4929 27.001 288.062 -101.952 -11.8218 PRESSAVG: 1095000 9.93413 -95.661 -36.9694 -95.661 -45.5153 -12.6289 -36.9693 -12.6288 10.2489 GPRESSAVG: 1095000 10.129 -97.5044 -38.0634 -94.5567 -44.6363 -10.2572 -33.7276 -12.7864 9.25534 TIMING: 1095000 CPU: 3525.49, 0.00319013/step Wall: 3525.49, 0.00319013/step, 3.4604 hours remaining, 231.703125 MB of memory in use. ENERGY: 1095000 3948.3083 20718.7055 14455.6608 245.2524 -203105.5358 2333.8968 0.0000 0.0000 52255.7236 -109147.9884 300.3144 -161403.7120 -108778.0005 299.8288 -6.6173 29.5270 759831.6290 -8.4441 -8.4173 PRESSURE: 1095200 6.61253 -152.933 217.968 -152.933 -155.432 35.3477 217.968 35.3466 118.808 GPRESSURE: 1095200 -31.1626 -134.599 204.803 -89.3535 -29.0471 -2.81127 202.741 54.0391 126.36 PRESSAVG: 1095200 -6.21084 -30.823 28.7232 -30.823 0.371247 -6.33001 28.7231 -6.33 -23.1009 GPRESSAVG: 1095200 -6.80184 -29.6657 28.9826 -30.1565 1.13428 -7.54648 27.9343 -7.25759 -22.904 TIMING: 1095200 CPU: 3526.13, 0.00320147/step Wall: 3526.13, 0.00320147/step, 3.47252 hours remaining, 231.703125 MB of memory in use. ENERGY: 1095200 4103.5126 20655.4895 14508.1987 241.7058 -202868.9644 2292.9665 0.0000 0.0000 51974.1133 -109092.9780 298.6959 -161067.0913 -108744.0979 300.1993 -10.0039 22.0500 760629.0289 -9.6468 -9.5238 PRESSURE: 1095400 142.42 -409.926 -59.0539 -409.926 -371.075 -167.927 -59.0543 -167.927 -327.097 GPRESSURE: 1095400 82.2293 -437.733 -53.1909 -327.627 -260.832 -90.8712 -26.3729 -126.91 -286.934 PRESSAVG: 1095400 11.9033 -57.0463 -25.9389 -57.0463 12.2893 -13.4596 -25.9389 -13.4596 -16.3779 GPRESSAVG: 1095400 11.5049 -57.9305 -24.9252 -54.5533 12.7957 -12.9376 -27.714 -12.566 -16.6012 TIMING: 1095400 CPU: 3526.78, 0.00322811/step Wall: 3526.78, 0.00322811/step, 3.50124 hours remaining, 231.703125 MB of memory in use. ENERGY: 1095400 3968.3952 20576.7013 14417.4218 253.1011 -202978.1175 2519.0514 0.0000 0.0000 52103.2795 -109140.1672 299.4383 -161243.4467 -108775.4640 299.8358 -185.2507 -155.1791 761725.7515 2.6049 2.5665 PRESSURE: 1095600 -58.3642 174.98 -188.587 174.98 242.413 60.4449 -188.588 60.4453 -188.596 GPRESSURE: 1095600 68.5405 111.951 -165.991 95.4957 138.789 101.595 -301.123 216.198 -119.552 PRESSAVG: 1095600 14.8184 -65.4228 -30.5092 -65.4228 -35.5238 -19.5483 -30.5091 -19.5483 27.6429 GPRESSAVG: 1095600 15.6094 -64.4732 -30.032 -68.7135 -36.4891 -18.438 -32.3574 -19.8365 28.5334 TIMING: 1095600 CPU: 3527.42, 0.00321089/step Wall: 3527.42, 0.00321089/step, 3.48239 hours remaining, 231.703125 MB of memory in use. ENERGY: 1095600 3965.3728 20934.0520 14411.2610 260.0722 -203437.5389 2662.6045 0.0000 0.0000 52192.8786 -109011.2979 299.9532 -161204.1764 -108661.2042 299.8630 -1.5156 29.2592 761087.5664 2.3125 2.5512 PRESSURE: 1095800 -335.605 90.0552 123.346 90.0559 -11.1922 -289.562 123.347 -289.562 -507.799 GPRESSURE: 1095800 -276.865 38.9987 103.652 134.044 -33.3642 -160.282 84.0814 -287.254 -463.841 PRESSAVG: 1095800 -10.7238 -112.498 34.8892 -112.498 -4.09212 -32.8507 34.8891 -32.8507 7.534 GPRESSAVG: 1095800 -9.84395 -112.1 32.571 -111.867 -3.67001 -33.4182 37.4223 -31.2618 6.59572 TIMING: 1095800 CPU: 3528.06, 0.00320072/step Wall: 3528.06, 0.00320072/step, 3.47118 hours remaining, 231.703125 MB of memory in use. ENERGY: 1095800 4048.4922 20448.5151 14453.4988 235.8878 -203084.7212 2349.4389 0.0000 0.0000 52318.2221 -109230.6662 300.6735 -161548.8883 -108863.4089 299.9071 -284.8654 -258.0236 761912.3695 -2.4273 -2.3061 PRESSURE: 1096000 -87.1064 -34.0105 153.753 -34.0113 252.382 113.424 153.753 113.424 105.595 GPRESSURE: 1096000 -64.923 15.7427 183.275 -86.9511 271.492 196.735 196.378 27.1099 139.25 PRESSAVG: 1096000 -28.0769 -41.7126 24.0082 -41.7126 -9.19427 12.9515 24.0082 12.9515 16.0008 GPRESSAVG: 1096000 -29.3674 -42.6742 24.1547 -42.7648 -8.66778 13.0153 24.4308 10.8046 17.0341 TIMING: 1096000 CPU: 3528.7, 0.00320132/step Wall: 3528.7, 0.00320132/step, 3.47165 hours remaining, 231.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1096000 3965.7678 20614.8942 14429.4267 244.2574 -203023.3431 2357.0600 0.0000 0.0000 51920.6447 -109491.2923 298.3887 -161411.9371 -109137.6378 299.4355 90.2904 115.2731 761394.5004 -7.0901 -7.0003 PRESSURE: 1096200 -223.852 -353.101 -61.8144 -353.101 2.10319 89.7133 -61.8142 89.7132 -197.714 GPRESSURE: 1096200 -175.764 -302.64 -40.9745 -311.149 21.9748 109.869 -205.158 124.713 -183.725 PRESSAVG: 1096200 -33.5171 -46.6489 -20.8591 -46.6488 58.9157 -9.56046 -20.8591 -9.56053 -0.710039 GPRESSAVG: 1096200 -32.8402 -48.0318 -21.5247 -43.9882 59.3935 -9.1136 -21.0551 -8.6736 -1.83537 TIMING: 1096200 CPU: 3529.34, 0.00321499/step Wall: 3529.34, 0.00321499/step, 3.4863 hours remaining, 231.703125 MB of memory in use. ENERGY: 1096200 3945.1814 20590.9507 14499.5401 250.7222 -202980.7804 2223.5294 0.0000 0.0000 51939.5269 -109531.3298 298.4972 -161470.8566 -109156.3181 298.6797 -139.8209 -112.5048 762018.2383 8.2295 8.2393 LDB: ============= START OF LOAD BALANCING ============== 3541.77 LDB: ============== END OF LOAD BALANCING =============== 3541.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3541.77 LDB: ============= START OF LOAD BALANCING ============== 3542.09 LDB: Largest compute 7033 load 0.038114 is 19.5% of average load 0.195456 LDB: Average compute 0.004427 is 2.3% of average load 0.195456 LDB: TIME 3542.1 LOAD: AVG 0.195456 MAX 0.213624 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.836 MB LDB: TIME 3542.1 LOAD: AVG 0.195456 MAX 0.213624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.039 MB LDB: TIME 3542.1 LOAD: AVG 0.195456 MAX 0.213624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.039 MB LDB: ============== END OF LOAD BALANCING =============== 3542.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3542.11 PRESSURE: 1096400 -152.119 -172.622 -291.28 -172.622 108.01 -45.377 -291.28 -45.377 61.9743 GPRESSURE: 1096400 -198.51 -143.449 -301.903 -171.375 162.146 -10.1059 -224.329 -135.275 139.606 PRESSAVG: 1096400 -21.4342 -45.9202 -13.5333 -45.9201 -22.9833 17.2887 -13.5333 17.2887 -7.74348 GPRESSAVG: 1096400 -22.1731 -45.472 -12.0091 -45.9444 -24.7384 18.3741 -15.2323 17.4641 -5.1223 TIMING: 1096400 CPU: 3530, 0.00329013/step Wall: 3530, 0.00329013/step, 3.5676 hours remaining, 231.332031 MB of memory in use. ENERGY: 1096400 4057.3021 20427.6474 14404.3177 239.9779 -203055.7294 2412.0989 0.0000 0.0000 51942.1971 -109572.1882 298.5125 -161514.3853 -109203.7393 299.1785 5.9549 34.4141 761176.1169 -17.3870 -17.3446 PRESSURE: 1096600 -82.7753 -54.2718 308.936 -54.2716 -380.421 111.78 308.936 111.78 -423.078 GPRESSURE: 1096600 -55.2819 -100.478 381.235 1.10067 -345.41 51.0288 237.077 98.9383 -396.097 PRESSAVG: 1096600 10.99 -68.6646 -6.89292 -68.6646 24.1392 -24.3255 -6.89297 -24.3255 14.7176 GPRESSAVG: 1096600 10.478 -67.4196 -7.05884 -69.901 25.0009 -26.3189 -6.97955 -25.4904 14.5832 TIMING: 1096600 CPU: 3530.64, 0.00321273/step Wall: 3530.64, 0.00321273/step, 3.48349 hours remaining, 231.332031 MB of memory in use. ENERGY: 1096600 4004.0547 20604.1829 14382.3501 230.3758 -202973.0516 2347.7239 0.0000 0.0000 51847.9242 -109556.4400 297.9707 -161404.3642 -109196.9054 298.9938 -295.4246 -265.5963 761814.8757 16.6156 16.6874 PRESSURE: 1096800 177.08 -202.859 96.4543 -202.858 228.667 -124.101 96.4541 -124.101 16.1253 GPRESSURE: 1096800 264.521 -222.488 27.5545 -172.072 93.0674 -110.342 106.354 -54.2953 146.288 PRESSAVG: 1096800 9.9385 -38.4838 -8.33858 -38.4838 -5.02113 8.6269 -8.33854 8.6269 6.19455 GPRESSAVG: 1096800 10.2402 -37.8419 -7.98986 -37.2532 -3.91806 9.43335 -8.15017 10.5445 5.50309 TIMING: 1096800 CPU: 3531.28, 0.00321286/step Wall: 3531.28, 0.00321286/step, 3.48345 hours remaining, 231.332031 MB of memory in use. ENERGY: 1096800 4017.4914 20510.6770 14467.1067 246.7107 -203082.8641 2524.4318 0.0000 0.0000 51834.3937 -109482.0528 297.8930 -161316.4465 -109122.7632 299.0809 140.6242 167.9587 758817.7339 3.7040 3.9417 PRESSURE: 1097000 -10.8144 -132.583 67.5802 -132.584 -157.791 21.5257 67.58 21.5247 96.4889 GPRESSURE: 1097000 81.7934 -77.2454 93.1154 -54.8156 -159.86 17.0005 -69.4397 -12.3118 83.5201 PRESSAVG: 1097000 -0.956655 -99.7852 54.6231 -99.7851 -55.1607 0.729945 54.6231 0.72992 1.3931 GPRESSAVG: 1097000 0.457264 -100.718 54.8251 -102.186 -57.8926 2.51893 53.5031 -2.51755 2.26934 TIMING: 1097000 CPU: 3531.92, 0.00319636/step Wall: 3531.92, 0.00319636/step, 3.46539 hours remaining, 231.332031 MB of memory in use. ENERGY: 1097000 3946.4761 20555.3466 14400.0788 248.4241 -203084.6236 2205.3164 0.0000 0.0000 52325.9116 -109403.0700 300.7177 -161728.9816 -109026.3051 299.5328 -24.0390 1.8180 759840.3441 -18.2414 -18.3886 PRESSURE: 1097200 -109.584 -82.8574 -53.0725 -82.8566 113.759 66.2845 -53.0721 66.2842 123.808 GPRESSURE: 1097200 -2.36849 5.31006 -64.1351 -285.993 72.6946 118.711 -8.49398 134.042 149.122 PRESSAVG: 1097200 -22.0129 -41.3477 -22.9369 -41.3477 5.13756 -79.4536 -22.937 -79.4536 10.6843 GPRESSAVG: 1097200 -22.8114 -44.4462 -22.7724 -39.12 6.31145 -80.3414 -22.3452 -77.2939 10.2733 TIMING: 1097200 CPU: 3532.56, 0.00318489/step Wall: 3532.56, 0.00318489/step, 3.45278 hours remaining, 231.332031 MB of memory in use. ENERGY: 1097200 3959.3418 20656.8769 14442.5699 242.4381 -203152.9940 2371.8002 0.0000 0.0000 51999.5593 -109480.4078 298.8422 -161479.9672 -109127.3098 299.7166 42.6610 73.1492 758663.2045 -2.0637 -2.0755 PRESSURE: 1097400 162.607 -140.348 71.3256 -140.347 -203.199 -26.3869 71.3253 -26.3867 -75.0033 GPRESSURE: 1097400 104.427 -70.4091 69.9212 -97.6486 -104.174 -22.6895 113.081 -7.34954 -24.2051 PRESSAVG: 1097400 -11.6254 -83.2315 -49.9264 -83.2315 42.0712 -3.30658 -49.9264 -3.30657 11.2494 GPRESSAVG: 1097400 -12.479 -81.4893 -51.4183 -83.2132 44.8141 -3.96343 -47.71 -2.35455 9.47315 TIMING: 1097400 CPU: 3533.2, 0.00317155/step Wall: 3533.2, 0.00317155/step, 3.43813 hours remaining, 231.332031 MB of memory in use. ENERGY: 1097400 4032.0891 20631.5238 14425.0455 265.2857 -202855.0362 2146.3725 0.0000 0.0000 51844.3344 -109510.3853 297.9501 -161354.7197 -109156.8812 299.4770 -38.5319 -7.9839 758975.8920 13.8984 13.9361 PRESSURE: 1097600 80.2896 83.6496 -106.215 83.65 83.4688 -23.5012 -106.215 -23.5012 132.988 GPRESSURE: 1097600 127.732 30.7783 -71.0143 -23.2909 58.2737 -43.3351 -220.361 -113.409 184.476 PRESSAVG: 1097600 -24.1271 -49.6315 -28.0897 -49.6315 23.5261 13.8309 -28.0897 13.831 -16.96 GPRESSAVG: 1097600 -24.2473 -50.7784 -26.3831 -50.413 22.1645 14.291 -30.972 12.8298 -15.2542 TIMING: 1097600 CPU: 3533.83, 0.00319435/step Wall: 3533.83, 0.00319435/step, 3.46268 hours remaining, 231.332031 MB of memory in use. ENERGY: 1097600 3940.8439 20446.5631 14485.3416 258.5270 -203321.7256 2490.9872 0.0000 0.0000 52175.1930 -109524.2697 299.8516 -161699.4627 -109164.8887 299.4192 98.9155 123.4940 759605.8282 -5.8537 -5.7790 PRESSURE: 1097800 17.3596 -99.8616 -285.736 -99.8613 159.836 253.742 -285.735 253.743 -106.276 GPRESSURE: 1097800 97.6565 -31.4384 -294.519 -59.4383 245.379 207.877 -266.369 234.258 -190.021 PRESSAVG: 1097800 -14.1103 -68.8034 -29.0666 -68.8035 35.4326 24.1993 -29.0667 24.1993 -18.4826 GPRESSAVG: 1097800 -13.6983 -67.5725 -30.3376 -67.2036 36.1301 23.0316 -29.3294 24.3683 -19.4773 TIMING: 1097800 CPU: 3534.47, 0.00317594/step Wall: 3534.47, 0.00317594/step, 3.44254 hours remaining, 231.332031 MB of memory in use. ENERGY: 1097800 3896.0230 20480.3903 14495.6382 255.5248 -203452.9623 2529.4828 0.0000 0.0000 52178.4714 -109617.4319 299.8704 -161795.9033 -109258.0801 299.1555 23.6400 51.0048 757914.6689 0.9466 0.9848 PRESSURE: 1098000 273.845 -28.6033 25.4173 -28.6026 544.922 156.649 25.4182 156.651 358.217 GPRESSURE: 1098000 283.105 -38.4159 -1.68611 24.016 557.485 169.291 40.1438 79.1337 416.672 PRESSAVG: 1098000 45.5364 -45.1198 -36.3688 -45.1197 7.20093 79.9214 -36.3687 79.9214 3.86704 GPRESSAVG: 1098000 44.7159 -44.3269 -36.5062 -46.5612 7.75976 80.6163 -36.0323 79.3503 4.16993 TIMING: 1098000 CPU: 3535.1, 0.00317529/step Wall: 3535.1, 0.00317529/step, 3.44166 hours remaining, 231.332031 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: 1098000 3948.4658 20572.0017 14445.8229 254.9816 -203441.2957 2648.2151 0.0000 0.0000 52184.4835 -109387.3252 299.9049 -161571.8087 -109026.8100 299.2796 392.3278 419.0870 757056.6875 18.8681 18.8819 PRESSURE: 1098200 148.302 148.799 -119.98 148.799 -2.03814 -98.8267 -119.98 -98.827 -281.066 GPRESSURE: 1098200 180.764 138.455 -239.509 166.127 -50.8707 -63.3462 -0.508457 -53.9066 -182.702 PRESSAVG: 1098200 11.5198 -53.3233 -9.62759 -53.3233 24.3705 37.6104 -9.62755 37.6105 -20.7025 GPRESSAVG: 1098200 12.5502 -54.5745 -9.55527 -52.608 23.4905 37.09 -7.62073 39.0425 -20.6531 TIMING: 1098200 CPU: 3535.74, 0.00319011/step Wall: 3535.74, 0.00319011/step, 3.45754 hours remaining, 231.332031 MB of memory in use. ENERGY: 1098200 4018.1863 20532.7920 14471.0135 256.5465 -203562.2820 2668.2747 0.0000 0.0000 52059.7263 -109555.7428 299.1880 -161615.4691 -109201.4455 299.5260 -44.9340 -17.6032 759999.4715 5.0626 5.1292 PRESSURE: 1098400 -189.609 -161.205 375.147 -161.204 -377.385 187.756 375.148 187.756 -668.087 GPRESSURE: 1098400 -128.298 -183.409 437.301 -149.96 -404.344 85.6302 365.869 195.728 -623.345 PRESSAVG: 1098400 -26.9538 -35.5974 49.0921 -35.5975 1.87966 -43.6405 49.0921 -43.6405 -2.01117 GPRESSAVG: 1098400 -26.3858 -33.0375 49.6871 -38.4786 0.147145 -45.0988 47.7811 -41.7188 -1.21767 TIMING: 1098400 CPU: 3536.38, 0.00317596/step Wall: 3536.38, 0.00317596/step, 3.44204 hours remaining, 231.332031 MB of memory in use. ENERGY: 1098400 4089.5441 20447.3599 14468.2550 243.0894 -202968.5264 2108.7399 0.0000 0.0000 52157.7178 -109453.8202 299.7511 -161611.5380 -109100.4878 299.3183 -411.6936 -385.3292 760009.5589 -9.0284 -9.1521 PRESSURE: 1098600 -429.24 -140.69 -216.073 -140.691 -99.0184 33.1154 -216.073 33.1159 -62.0078 GPRESSURE: 1098600 -365.625 -141.499 -89.3512 -132.453 -116.368 50.7956 -240.993 -91.64 -23.6563 PRESSAVG: 1098600 -40.3996 -22.6315 46.4607 -22.6316 59.2165 -12.745 46.4606 -12.745 -11.9191 GPRESSAVG: 1098600 -41.3824 -26.4023 47.1742 -20.2995 60.55 -12.4366 46.8194 -14.6453 -12.8947 TIMING: 1098600 CPU: 3537.02, 0.00319554/step Wall: 3537.02, 0.00319554/step, 3.46307 hours remaining, 231.332031 MB of memory in use. ENERGY: 1098600 3976.5689 20334.6693 14457.9047 230.9439 -203005.5809 2292.4820 0.0000 0.0000 52150.6221 -109562.3900 299.7103 -161713.0121 -109193.3569 299.3193 -196.7553 -168.5497 760261.1388 2.2992 2.0909 PRESSURE: 1098800 -73.6367 10.7891 103.235 10.7889 -44.713 96.967 103.234 96.9674 -22.5954 GPRESSURE: 1098800 -112.11 94.4121 54.1574 68.2748 -10.6496 -16.7601 113.543 95.3254 76.3611 PRESSAVG: 1098800 -9.33529 -25.5756 9.35365 -25.5756 19.3878 -22.1275 9.35364 -22.1274 30.5402 GPRESSAVG: 1098800 -9.99443 -24.9759 7.38961 -26.62 19.4025 -22.1722 8.73486 -20.8558 30.981 TIMING: 1098800 CPU: 3537.66, 0.00319889/step Wall: 3537.66, 0.00319889/step, 3.46653 hours remaining, 231.332031 MB of memory in use. ENERGY: 1098800 3909.3747 20467.9078 14462.8250 252.7034 -202661.6442 2162.2322 0.0000 0.0000 51901.6667 -109504.9345 298.2796 -161406.6012 -109140.9754 298.9654 -46.9817 -15.4663 761893.0272 13.5309 13.4630 PRESSURE: 1099000 -86.1994 72.2727 105.296 72.2731 -221.811 24.5652 105.296 24.5666 -58.038 GPRESSURE: 1099000 -84.5957 -6.45359 183.688 61.6172 -186.419 62.9979 59.2144 -14.9281 -7.81248 PRESSAVG: 1099000 14.7532 -72.8504 78.7322 -72.8505 -19.4236 -25.5548 78.7322 -25.5547 -10.9424 GPRESSAVG: 1099000 15.0769 -72.4447 80.997 -73.737 -19.6939 -25.4992 77.7035 -26.7239 -11.191 TIMING: 1099000 CPU: 3538.3, 0.00320127/step Wall: 3538.3, 0.00320127/step, 3.46894 hours remaining, 231.332031 MB of memory in use. ENERGY: 1099000 3970.2339 20653.6149 14481.8166 247.3919 -203327.4705 2681.2544 0.0000 0.0000 51919.4534 -109373.7054 298.3818 -161293.1588 -109018.8660 299.4934 -122.0163 -92.9425 761474.8981 -5.2043 -5.2693 PRESSURE: 1099200 -141.015 152.4 58.6559 152.4 136.515 -179.282 58.6557 -179.281 -199.721 GPRESSURE: 1099200 -118.423 65.1133 38.9562 140.659 88.0999 -155.656 210.447 -125.669 -99.9778 PRESSAVG: 1099200 -3.7941 -54.37 48.2462 -54.37 -6.93917 -30.857 48.2462 -30.8571 33.6103 GPRESSAVG: 1099200 -3.8539 -54.508 47.3646 -54.5576 -6.65556 -30.8141 48.7493 -29.6797 32.8205 TIMING: 1099200 CPU: 3538.94, 0.00320413/step Wall: 3538.94, 0.00320413/step, 3.47185 hours remaining, 231.332031 MB of memory in use. ENERGY: 1099200 3953.2793 20425.2203 14463.1881 224.6076 -203345.2417 2535.9199 0.0000 0.0000 52308.9101 -109434.1164 300.6200 -161743.0265 -109069.8286 298.7628 -68.0738 -43.4335 760423.4452 7.6257 7.4370 PRESSURE: 1099400 150.658 64.2322 47.2451 64.2323 -272.007 -140.728 47.244 -140.727 212.257 GPRESSURE: 1099400 188.38 -17.6232 17.1571 173.4 -180.507 -101.984 110.038 15.7021 175.106 PRESSAVG: 1099400 38.8517 -24.7219 24.6126 -24.722 -23.2145 53.3079 24.6125 53.308 12.2317 GPRESSAVG: 1099400 37.6281 -25.2702 24.0697 -21.7561 -22.6375 54.2557 23.9142 51.8082 12.7817 TIMING: 1099400 CPU: 3539.58, 0.00320656/step Wall: 3539.58, 0.00320656/step, 3.47431 hours remaining, 231.332031 MB of memory in use. ENERGY: 1099400 3914.1776 20454.9996 14510.1343 237.2352 -203119.0258 2399.5864 0.0000 0.0000 52060.9358 -109541.9569 299.1949 -161602.8926 -109183.2428 299.4224 30.3025 60.9931 761894.1963 9.2896 9.2575 PRESSURE: 1099600 -33.6386 26.1592 -101.851 26.1584 208.891 -50.8579 -101.851 -50.8573 321.581 GPRESSURE: 1099600 4.2499 -33.8234 12.3349 -88.5569 227.923 -94.2831 -6.24698 -39.0394 374.612 PRESSAVG: 1099600 9.56621 -31.1117 -20.9439 -31.1116 -17.3795 27.5453 -20.9439 27.5452 0.550272 GPRESSAVG: 1099600 9.80406 -31.4439 -20.3527 -33.1489 -17.5806 28.7503 -17.7607 27.1955 0.446094 TIMING: 1099600 CPU: 3540.22, 0.00322866/step Wall: 3540.22, 0.00322866/step, 3.49808 hours remaining, 231.332031 MB of memory in use. ENERGY: 1099600 3985.6139 20450.4620 14499.3288 242.9582 -203300.8658 2692.8792 0.0000 0.0000 51902.7680 -109526.8558 298.2859 -161429.6237 -109179.7845 299.0983 165.6110 202.2616 759199.4531 -2.4210 -2.4435 PRESSURE: 1099800 144.34 -190.756 92.4225 -190.756 246.671 -117.745 92.423 -117.745 -60.9715 GPRESSURE: 1099800 119.083 -45.8012 63.8935 -176.063 297.622 -136.282 62.3265 -27.3307 7.42984 PRESSAVG: 1099800 -6.94091 -56.0327 12.6578 -56.0327 16.1602 -19.8833 12.6578 -19.8832 -8.20287 GPRESSAVG: 1099800 -4.68097 -56.3351 12.3885 -55.0507 15.2734 -21.5883 11.1833 -17.2782 -9.23304 TIMING: 1099800 CPU: 3540.87, 0.00323337/step Wall: 3540.87, 0.00323337/step, 3.50299 hours remaining, 231.332031 MB of memory in use. ENERGY: 1099800 3967.1592 20576.5769 14500.0292 255.3789 -202742.1857 2220.1511 0.0000 0.0000 52009.4278 -109213.4626 298.8989 -161222.8904 -108858.5319 299.5558 110.0132 141.3782 760279.7891 0.3388 0.4531 PRESSURE: 1100000 -427.542 -56.5145 21.8974 -56.5145 -154.45 123.904 21.8973 123.904 -146.843 GPRESSURE: 1100000 -381.562 20.1526 -49.1992 -52.4225 -146.518 77.3125 122.639 63.1012 -131.565 PRESSAVG: 1100000 -58.6513 -34.3357 -17.8407 -34.3357 49.6831 49.6268 -17.8407 49.6267 13.5035 GPRESSAVG: 1100000 -59.3304 -31.8414 -18.2809 -34.6031 49.2263 51.6726 -17.2684 46.2948 15.2421 TIMING: 1100000 CPU: 3541.51, 0.00321112/step Wall: 3541.51, 0.00321112/step, 3.47871 hours remaining, 231.531250 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: 1100000 3953.1164 20360.5614 14428.0033 243.4085 -202603.0067 2125.8800 0.0000 0.0000 52099.6902 -109392.3469 299.4176 -161492.0371 -109034.2201 299.4808 -242.9449 -219.8815 763050.7277 1.5118 1.7126 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.4.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 -6.38146 -152.499 24.6818 -152.499 188.658 127.099 24.6816 127.099 539.245 GPRESSURE: 1100200 7.74225 -11.9957 -100.073 -195.14 202.787 100.055 61.4224 254.922 577.152 PRESSAVG: 1100200 -31.0878 -88.1105 -0.779495 -88.1105 -5.19364 39.3583 -0.779473 39.3583 -0.911694 GPRESSAVG: 1100200 -31.6258 -91.3157 -0.0594269 -87.9851 -4.20089 38.3887 -2.45181 41.156 -1.42754 TIMING: 1100200 CPU: 3542.17, 0.00329671/step Wall: 3542.17, 0.00329671/step, 3.57126 hours remaining, 231.656250 MB of memory in use. ENERGY: 1100200 3898.6376 20297.6147 14462.3404 234.3366 -203407.2297 2597.8365 0.0000 0.0000 52481.3378 -109435.1261 301.6110 -161916.4639 -109063.7310 299.2110 240.5071 262.5604 762929.0418 -12.3977 -12.4181 LDB: ============= START OF LOAD BALANCING ============== 3554.6 LDB: ============== END OF LOAD BALANCING =============== 3554.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3554.6 LDB: ============= START OF LOAD BALANCING ============== 3554.93 LDB: Largest compute 7068 load 0.035634 is 18.2% of average load 0.195445 LDB: Average compute 0.004424 is 2.3% of average load 0.195445 LDB: TIME 3554.93 LOAD: AVG 0.195445 MAX 0.213049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3554.93 LOAD: AVG 0.195445 MAX 0.213049 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.824 MB LDB: TIME 3554.93 LOAD: AVG 0.195445 MAX 0.213049 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.824 MB LDB: ============== END OF LOAD BALANCING =============== 3554.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3554.94 PRESSURE: 1100400 -23.908 -217.705 -47.8751 -217.705 -236.557 9.85862 -47.8754 9.85795 -228.394 GPRESSURE: 1100400 -13.5212 -211.835 -71.4611 -105.33 -139.772 -23.5695 -122.91 38.6771 -224.019 PRESSAVG: 1100400 -70.1834 -45.5742 -24.4345 -45.5742 49.0207 25.0455 -24.4346 25.0455 0.978434 GPRESSAVG: 1100400 -69.2715 -42.5188 -24.2221 -47.814 48.5676 24.9366 -24.6596 24.9241 0.572258 TIMING: 1100400 CPU: 3542.83, 0.00329162/step Wall: 3542.83, 0.00329162/step, 3.56555 hours remaining, 232.648438 MB of memory in use. ENERGY: 1100400 3998.3932 20514.0836 14574.7923 255.7041 -202968.5003 2336.9351 0.0000 0.0000 52222.8031 -109065.7888 300.1252 -161288.5919 -108713.0450 299.9297 -162.9530 -125.7706 762968.1691 -6.7281 -6.7106 PRESSURE: 1100600 166.071 30.7769 128.815 30.7775 -222.391 -38.2738 128.814 -38.2741 -633.215 GPRESSURE: 1100600 105.007 9.75204 135.599 106.866 -121.811 -3.90721 95.0049 -99.6048 -588.113 PRESSAVG: 1100600 -19.8945 -46.02 -20.4554 -46.0201 40.2565 36.5485 -20.4554 36.5485 -36.471 GPRESSAVG: 1100600 -20.3267 -46.9081 -19.4919 -44.602 40.2445 36.4179 -20.067 34.6568 -35.8982 TIMING: 1100600 CPU: 3543.47, 0.00321648/step Wall: 3543.47, 0.00321648/step, 3.48398 hours remaining, 232.648438 MB of memory in use. ENERGY: 1100600 4072.0956 20456.4191 14449.2274 234.6049 -202873.7162 2484.2562 0.0000 0.0000 51931.5750 -109245.5380 298.4515 -161177.1130 -108891.4094 299.6289 -229.8452 -201.6390 762567.6846 -5.3697 -5.3268 PRESSURE: 1100800 -239.912 -25.758 -74.5528 -25.7584 -56.9434 -122.879 -74.5522 -122.879 177.441 GPRESSURE: 1100800 -295.439 -10.3735 -49.8716 -8.92861 31.9278 -13.4013 -172.015 -18.3066 215.076 PRESSAVG: 1100800 -62.4499 -1.47116 10.4449 -1.47113 -16.5257 87.5424 10.4449 87.5424 19.0693 GPRESSAVG: 1100800 -63.1979 -3.2301 10.4699 -0.424535 -15.8375 86.7046 11.2246 90.1474 19.2003 TIMING: 1100800 CPU: 3544.12, 0.00323355/step Wall: 3544.12, 0.00323355/step, 3.50229 hours remaining, 232.648438 MB of memory in use. ENERGY: 1100800 3993.0868 20435.6639 14460.6466 259.8538 -202929.4589 2435.9510 0.0000 0.0000 52152.4812 -109191.7756 299.7210 -161344.2568 -108828.1270 299.2690 -39.8048 -16.1451 761995.3668 -19.9688 -19.9450 PRESSURE: 1101000 35.6546 21.2175 -98.9134 21.2172 -218.292 227.834 -98.9133 227.833 277.642 GPRESSURE: 1101000 155.201 94.9583 -110.747 87.5521 -149.793 232.257 9.43256 184.907 189.045 PRESSAVG: 1101000 -4.35174 22.4738 -4.02427 22.4738 23.7241 67.4468 -4.0242 67.4468 16.9805 GPRESSAVG: 1101000 -3.08803 23.9369 -4.3382 22.0534 24.148 69.6831 -4.58762 64.7932 15.4447 TIMING: 1101000 CPU: 3544.76, 0.00319834/step Wall: 3544.76, 0.00319834/step, 3.46398 hours remaining, 232.648438 MB of memory in use. ENERGY: 1101000 3939.5002 20452.3972 14478.8301 246.5906 -203034.9068 2603.7461 0.0000 0.0000 52263.2852 -109050.5574 300.3578 -161313.8426 -108700.9888 299.4560 31.6684 64.8179 760392.0717 12.1176 12.1682 PRESSURE: 1101200 -193.871 -271.827 181.356 -271.826 -263.148 -95.8029 181.355 -95.8035 16.6863 GPRESSURE: 1101200 -175.364 -297.668 226.352 -232.672 -223.448 -119.586 118.802 -94.956 44.6031 PRESSAVG: 1101200 -103.301 -36.8056 29.1142 -36.8057 25.7934 34.7648 29.1142 34.7647 -25.9224 GPRESSAVG: 1101200 -102.395 -37.2435 27.9091 -36.0576 23.9317 33.585 27.5143 36.9692 -24.9612 TIMING: 1101200 CPU: 3545.4, 0.00319958/step Wall: 3545.4, 0.00319958/step, 3.46514 hours remaining, 232.648438 MB of memory in use. ENERGY: 1101200 4112.3879 20543.1964 14436.6357 250.8751 -202962.3136 2361.7100 0.0000 0.0000 52296.5430 -108960.9656 300.5490 -161257.5085 -108599.9623 300.1399 -146.7776 -118.0698 761295.5425 -34.4768 -34.4750 PRESSURE: 1101400 -344.991 -49.6953 -10.4552 -49.6949 39.186 89.3589 -10.455 89.3582 -80.9813 GPRESSURE: 1101400 -241.731 -88.3204 -42.1959 -70.2147 49.1921 133.351 -0.386824 64.4373 -113.95 PRESSAVG: 1101400 -53.1619 -27.4279 29.2392 -27.4279 48.5059 3.79847 29.2392 3.79841 7.09319 GPRESSAVG: 1101400 -54.9173 -26.5874 29.6235 -29.127 49.7434 3.06618 31.5208 2.47887 7.13896 TIMING: 1101400 CPU: 3546.04, 0.0032154/step Wall: 3546.04, 0.0032154/step, 3.4821 hours remaining, 232.648438 MB of memory in use. ENERGY: 1101400 4064.4963 20567.6203 14516.9215 234.4958 -203370.9672 2602.0492 0.0000 0.0000 52201.0717 -109184.3124 300.0003 -161385.3841 -108818.0354 300.1920 -128.9288 -102.1629 760812.5527 0.8124 0.6550 PRESSURE: 1101600 -12.4742 203.917 -101.295 203.917 67.1264 304.011 -101.295 304.01 68.9343 GPRESSURE: 1101600 -18.4146 134.558 -72.604 98.1964 136.954 374.93 -111.16 121.605 101.827 PRESSAVG: 1101600 -41.552 -3.98639 5.21133 -3.98643 54.868 31.2689 5.21127 31.2688 -7.23177 GPRESSAVG: 1101600 -41.4813 -4.74035 6.07836 -3.09543 55.7993 33.1475 2.91734 29.8274 -8.23988 TIMING: 1101600 CPU: 3546.68, 0.00319513/step Wall: 3546.68, 0.00319513/step, 3.45997 hours remaining, 232.648438 MB of memory in use. ENERGY: 1101600 4019.1704 20592.6998 14462.0456 267.0865 -203108.5136 2231.6811 0.0000 0.0000 51941.7040 -109594.1262 298.5097 -161535.8302 -109234.1301 299.2493 41.1955 73.4553 759232.2751 2.0281 2.0260 PRESSURE: 1101800 -5.79972 5.04984 -278.452 5.05002 -177.33 17.0263 -278.453 17.0258 -148.783 GPRESSURE: 1101800 95.0519 67.8999 -220.631 -90.2856 -116.476 -28.5821 -362.168 104.765 -212.106 PRESSAVG: 1101800 -88.8578 9.55646 -9.05013 9.55648 47.0193 50.8233 -9.05009 50.8233 22.8238 GPRESSAVG: 1101800 -86.8958 12.0678 -7.68028 6.52139 44.5729 50.8966 -9.69892 51.5921 23.0334 TIMING: 1101800 CPU: 3547.32, 0.00318713/step Wall: 3547.32, 0.00318713/step, 3.45113 hours remaining, 232.648438 MB of memory in use. ENERGY: 1101800 4006.8024 20322.0274 14451.4561 224.0771 -203248.5590 2525.4214 0.0000 0.0000 51884.4395 -109834.3351 298.1806 -161718.7746 -109471.8757 299.0119 -110.6377 -77.8433 761158.8819 -6.3382 -6.4298 PRESSURE: 1102000 134.137 82.6279 67.1618 82.6277 377.906 -70.6411 67.1624 -70.6425 -79.9945 GPRESSURE: 1102000 263.228 15.9975 103.766 110.394 314.926 -68.8697 65.0846 -40.46 -44.7543 PRESSAVG: 1102000 18.5114 8.31798 -23.6238 8.31801 8.94339 -22.0146 -23.6238 -22.0146 6.29653 GPRESSAVG: 1102000 16.4352 7.1297 -24.4696 10.4609 11.2385 -22.4892 -21.595 -22.7875 6.13329 TIMING: 1102000 CPU: 3547.96, 0.00318237/step Wall: 3547.96, 0.00318237/step, 3.4458 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 3948.1064 20532.1480 14447.5018 232.5035 -203595.9353 2621.3714 0.0000 0.0000 52110.7740 -109703.5302 299.4813 -161814.3041 -109337.7884 299.1134 144.0161 177.7999 762074.6126 11.2504 11.2690 PRESSURE: 1102200 -9.94643 11.9804 -358.969 11.9801 -9.69619 80.1445 -358.969 80.1465 273.046 GPRESSURE: 1102200 -59.966 -23.4017 -394.056 -84.5165 119.509 53.6921 -412.524 154.57 276.093 PRESSAVG: 1102200 -67.4521 25.9217 6.61578 25.9217 64.6001 -13.1283 6.61576 -13.1283 6.04672 GPRESSAVG: 1102200 -66.8372 23.1358 5.22561 26.0707 63.5886 -12.6763 6.94555 -9.8987 6.75091 TIMING: 1102200 CPU: 3548.6, 0.00323221/step Wall: 3548.6, 0.00323221/step, 3.49959 hours remaining, 232.648438 MB of memory in use. ENERGY: 1102200 3987.6854 20328.2150 14429.3168 250.8423 -203503.0857 2693.6148 0.0000 0.0000 52035.3450 -109778.0663 299.0478 -161813.4113 -109415.8123 298.9132 84.4677 111.8786 762318.1731 1.0649 1.1674 PRESSURE: 1102400 340.703 109.899 127.681 109.899 -276.708 42.8577 127.681 42.8578 -63.6399 GPRESSURE: 1102400 326.998 -18.5251 87.9905 -54.7144 -196.081 -28.082 194.776 -94.0692 -42.3961 PRESSAVG: 1102400 46.24 -37.7051 54.3957 -37.7051 -11.4233 2.1698 54.3956 2.16981 -3.7077 GPRESSAVG: 1102400 45.6628 -35.2116 54.5518 -37.9214 -11.4332 1.35665 53.7089 1.51693 -3.47379 TIMING: 1102400 CPU: 3549.25, 0.00320992/step Wall: 3549.25, 0.00320992/step, 3.47528 hours remaining, 232.648438 MB of memory in use. ENERGY: 1102400 3998.9627 20628.8545 14432.2069 248.6379 -203326.4048 2596.9708 0.0000 0.0000 51796.0454 -109624.7266 297.6726 -161420.7719 -109265.4987 298.5527 0.1184 29.5069 760009.8887 10.3697 10.2519 PRESSURE: 1102600 -81.4849 -277.884 121.41 -277.883 -216.149 -230.135 121.409 -230.135 54.6304 GPRESSURE: 1102600 -1.91169 -274.525 111.939 -128.337 -213.82 -172.706 184.594 -189.858 43.7276 PRESSAVG: 1102600 65.0834 -12.4236 -4.69235 -12.4236 -30.8739 -11.8333 -4.6924 -11.8333 15.094 GPRESSAVG: 1102600 65.3617 -12.1947 -4.63009 -13.4425 -30.6602 -11.7557 -4.38071 -14.8454 14.4741 TIMING: 1102600 CPU: 3549.89, 0.00321509/step Wall: 3549.89, 0.00321509/step, 3.48069 hours remaining, 232.648438 MB of memory in use. ENERGY: 1102600 3982.0644 20478.1331 14492.8367 236.7920 -202860.5859 2090.9618 0.0000 0.0000 52090.2783 -109489.5196 299.3635 -161579.7980 -109128.6059 298.9249 -81.0011 -57.3347 760908.4246 16.4345 16.3919 PRESSURE: 1102800 323.043 27.4501 161.057 27.4492 -570.173 317.682 161.058 317.683 359.367 GPRESSURE: 1102800 354.744 70.6631 148.388 -60.0321 -488.715 267.626 144.39 228.312 347.566 PRESSAVG: 1102800 12.8348 -40.3037 14.8851 -40.3038 -14.3193 39.6277 14.8851 39.6277 0.21498 GPRESSAVG: 1102800 12.0503 -42.2482 12.5599 -40.4087 -13.9911 40.2956 15.9094 40.9742 0.328189 TIMING: 1102800 CPU: 3550.53, 0.00321074/step Wall: 3550.53, 0.00321074/step, 3.47581 hours remaining, 232.648438 MB of memory in use. ENERGY: 1102800 3929.8233 20517.1883 14457.4936 240.0182 -202922.9027 2508.0379 0.0000 0.0000 51795.8001 -109474.5412 297.6712 -161270.3414 -109114.5220 299.2844 37.4124 71.1985 760214.6083 -0.4232 -0.5375 PRESSURE: 1103000 -82.2809 -54.5254 -145.38 -54.5254 18.5793 -91.7872 -145.38 -91.7877 -151.588 GPRESSURE: 1103000 -120.613 -50.0611 -113.079 -29.2583 138.261 -61.5757 -108.335 -180.707 -151.761 PRESSAVG: 1103000 -26.5791 -27.7855 4.87306 -27.7855 9.22833 8.56527 4.87312 8.56526 -7.62197 GPRESSAVG: 1103000 -26.496 -25.7956 7.74091 -28.6123 9.80283 8.34254 3.1344 7.5593 -7.83941 TIMING: 1103000 CPU: 3551.18, 0.00324226/step Wall: 3551.18, 0.00324226/step, 3.50974 hours remaining, 232.648438 MB of memory in use. ENERGY: 1103000 3910.5079 20601.3142 14511.5686 262.9705 -203196.9309 2409.9560 0.0000 0.0000 51924.3992 -109576.2145 298.4102 -161500.6137 -109211.4076 299.3000 -71.7632 -44.7044 762029.1353 -8.3242 -8.1775 PRESSURE: 1103200 84.4951 102.075 -55.3919 102.075 164.336 95.0467 -55.3921 95.0474 25.3809 GPRESSURE: 1103200 94.7754 49.5078 -164.072 -25.7188 173.062 80.1544 -34.1867 33.9848 87.0149 PRESSAVG: 1103200 -44.6 -30.4019 -14.3071 -30.402 7.1113 19.9234 -14.3071 19.9233 -5.96761 GPRESSAVG: 1103200 -44.4433 -31.8904 -17.0265 -29.2489 6.84485 20.4294 -14.0347 20.3143 -5.99053 TIMING: 1103200 CPU: 3551.82, 0.003211/step Wall: 3551.82, 0.003211/step, 3.47573 hours remaining, 232.648438 MB of memory in use. ENERGY: 1103200 3947.1976 20411.4757 14533.2457 260.1290 -203489.6316 2598.4390 0.0000 0.0000 52110.6477 -109628.4969 299.4806 -161739.1446 -109262.6717 298.7091 91.4040 118.2841 762333.3851 -14.4854 -14.5297 PRESSURE: 1103400 -233.307 63.3707 13.8344 63.3715 328.016 -283.985 13.8338 -283.984 317.88 GPRESSURE: 1103400 -138.835 58.1206 61.3211 121.923 342.724 -322.255 -127.006 -257.949 301.536 PRESSAVG: 1103400 -22.7121 -62.8138 26.506 -62.8139 47.1551 -18.6591 26.506 -18.6591 19.1934 GPRESSAVG: 1103400 -22.0166 -60.5176 29.2459 -64.5606 46.1524 -19.6311 26.1148 -17.5682 19.6698 TIMING: 1103400 CPU: 3552.48, 0.00326982/step Wall: 3552.48, 0.00326982/step, 3.53922 hours remaining, 232.648438 MB of memory in use. ENERGY: 1103400 3974.1009 20330.8994 14560.6826 270.4477 -203268.0422 2527.4568 0.0000 0.0000 51945.1739 -109659.2809 298.5296 -161604.4549 -109296.5148 299.1451 137.5300 168.4747 760560.7053 14.5454 14.6019 PRESSURE: 1103600 -97.2933 211.887 -25.9547 211.886 -63.861 -10.1158 -25.955 -10.1168 -326.773 GPRESSURE: 1103600 -100.559 180.129 -10.6957 100.216 -27.8437 -2.18673 -61.0189 55.6287 -251.936 PRESSAVG: 1103600 -66.6216 -73.2579 -0.39701 -73.2579 25.4382 -37.3438 -0.397009 -37.3438 1.32041 GPRESSAVG: 1103600 -67.2809 -75.7224 -1.81418 -70.9897 26.4085 -36.6273 0.879302 -38.6013 1.10347 TIMING: 1103600 CPU: 3553.12, 0.00322149/step Wall: 3553.12, 0.00322149/step, 3.48672 hours remaining, 232.648438 MB of memory in use. ENERGY: 1103600 3961.1956 20379.1929 14454.4350 235.0833 -203339.1384 2571.9182 0.0000 0.0000 52346.2673 -109391.0460 300.8347 -161737.3133 -109030.0972 299.1867 -162.6424 -126.7796 761791.3962 -13.2876 -13.2563 PRESSURE: 1103800 53.65 36.1102 97.3609 36.111 -56.1075 -39.3893 97.3617 -39.3909 589.125 GPRESSURE: 1103800 81.0503 -22.9304 -16.4061 -25.2231 15.7772 29.2747 115.285 -71.7126 582.374 PRESSAVG: 1103800 -34.6916 -28.5332 -30.1336 -28.5331 62.3285 17.1376 -30.1336 17.1376 -0.929829 GPRESSAVG: 1103800 -34.3239 -27.7306 -30.1451 -28.565 61.8701 16.8922 -30.3098 17.0532 -0.339338 TIMING: 1103800 CPU: 3553.76, 0.00318932/step Wall: 3553.76, 0.00318932/step, 3.45173 hours remaining, 232.648438 MB of memory in use. ENERGY: 1103800 3902.0394 20703.1185 14436.8375 243.8666 -203136.8683 2566.9024 0.0000 0.0000 51829.3238 -109454.7800 297.8638 -161284.1038 -109101.3274 299.2432 195.5559 226.4004 760687.8005 8.9024 9.0689 PRESSURE: 1104000 -12.5052 12.4655 41.1626 12.4661 -83.6861 109.802 41.1637 109.802 -312.204 GPRESSURE: 1104000 102.84 40.8966 74.64 78.146 -38.9421 133.211 -0.527 88.6471 -379.566 PRESSAVG: 1104000 26.862 -59.5598 15.5115 -59.5598 -14.2718 85.9846 15.5115 85.9846 -37.2091 GPRESSAVG: 1104000 28.3153 -60.2 16.81 -60.1562 -14.9273 86.6486 14.8077 86.7599 -37.9259 TIMING: 1104000 CPU: 3554.4, 0.00320419/step Wall: 3554.4, 0.00320419/step, 3.46764 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 3986.3500 20375.5108 14462.6671 247.8896 -202943.4757 2537.1264 0.0000 0.0000 52018.5537 -109315.3782 298.9513 -161333.9318 -108952.3364 299.4144 -136.1319 -105.2227 761712.6388 -8.2063 -8.1793 PRESSURE: 1104200 274.199 -163.235 -109.695 -163.234 -305.094 -78.2697 -109.694 -78.27 -68.1505 GPRESSURE: 1104200 214.76 -111.612 -88.9425 -188.456 -201.403 -27.3742 -16.8181 -26.5551 -32.2877 PRESSAVG: 1104200 20.1591 -34.3308 20.0699 -34.3307 -13.2135 59.1455 20.0698 59.1455 24.2452 GPRESSAVG: 1104200 19.4381 -34.1243 17.3015 -34.2938 -11.7832 59.2702 20.9058 58.9425 23.3581 TIMING: 1104200 CPU: 3555.04, 0.00320398/step Wall: 3555.04, 0.00320398/step, 3.46724 hours remaining, 232.648438 MB of memory in use. ENERGY: 1104200 3954.2806 20428.5238 14523.8146 237.6518 -203192.9792 2839.0821 0.0000 0.0000 51871.3517 -109338.2745 298.1054 -161209.6262 -108985.7091 298.9555 -33.0152 -6.3101 762459.9447 10.3969 10.3377 LDB: ============= START OF LOAD BALANCING ============== 3567.47 LDB: ============== END OF LOAD BALANCING =============== 3567.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3567.47 LDB: ============= START OF LOAD BALANCING ============== 3567.79 LDB: Largest compute 7033 load 0.038564 is 19.7% of average load 0.195542 LDB: Average compute 0.004417 is 2.3% of average load 0.195542 LDB: TIME 3567.79 LOAD: AVG 0.195542 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.59 MB LDB: TIME 3567.79 LOAD: AVG 0.195542 MAX 0.213847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: TIME 3567.79 LOAD: AVG 0.195542 MAX 0.213847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: ============== END OF LOAD BALANCING =============== 3567.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3567.8 PRESSURE: 1104400 -222.339 -144.472 230.616 -144.471 7.2894 164.91 230.617 164.911 284.357 GPRESSURE: 1104400 -145.397 -60.3258 310.493 -185.682 37.1721 138.361 163.073 86.1893 269.064 PRESSAVG: 1104400 1.40815 1.57423 11.3592 1.5742 10.7656 80.0643 11.3592 80.0644 -1.04604 GPRESSAVG: 1104400 -0.600409 1.48984 13.0335 0.760729 10.8701 80.1825 11.9495 81.6608 1.11749 TIMING: 1104400 CPU: 3555.69, 0.00327317/step Wall: 3555.69, 0.00327317/step, 3.54193 hours remaining, 230.105469 MB of memory in use. ENERGY: 1104400 3932.3834 20477.1968 14502.1439 247.0946 -202506.7315 2045.8052 0.0000 0.0000 52070.1796 -109231.9280 299.2480 -161302.1076 -108871.1716 298.8862 23.1026 53.6131 762083.1384 3.7092 3.7957 PRESSURE: 1104600 -269.449 371.63 157.588 371.629 -234.837 4.73411 157.588 4.73519 184.553 GPRESSURE: 1104600 -186.786 320.816 165.009 381.455 -236.711 43.6491 250.515 -112.143 201.572 PRESSAVG: 1104600 -47.1842 11.793 -5.32266 11.793 62.3918 -32.3463 -5.32269 -32.3463 21.5836 GPRESSAVG: 1104600 -44.7307 12.1583 -4.9102 12.5714 61.6166 -34.0798 -4.60343 -33.0547 19.8267 TIMING: 1104600 CPU: 3556.33, 0.00318233/step Wall: 3556.33, 0.00318233/step, 3.44346 hours remaining, 230.105469 MB of memory in use. ENERGY: 1104600 4049.3807 20542.1536 14476.5607 249.7286 -202786.5815 2335.9616 0.0000 0.0000 52056.6722 -109076.1241 299.1704 -161132.7963 -108716.7500 299.5358 -106.5778 -73.9750 762613.3135 12.2637 12.2375 PRESSURE: 1104800 114.533 -8.8927 189.764 -8.89226 -133.115 -43.4053 189.763 -43.4058 -441.068 GPRESSURE: 1104800 107.271 63.1367 172.439 25.3543 -138.887 -70.5902 207.361 -47.1347 -362.885 PRESSAVG: 1104800 63.7738 8.30929 14.7992 8.30924 -79.0858 31.8249 14.7992 31.8249 -1.45119 GPRESSAVG: 1104800 62.1511 9.82279 15.3401 10.5687 -78.4615 32.9079 11.8879 31.8784 -0.472207 TIMING: 1104800 CPU: 3556.97, 0.00319665/step Wall: 3556.97, 0.00319665/step, 3.45878 hours remaining, 230.105469 MB of memory in use. ENERGY: 1104800 4039.0101 20635.2150 14463.8440 238.4457 -202772.0392 2193.1141 0.0000 0.0000 52073.1722 -109129.2381 299.2652 -161202.4103 -108770.6282 299.6882 -153.2165 -131.5004 761588.6022 -5.5878 -5.5942 PRESSURE: 1105000 -159.603 -50.335 -127.522 -50.3348 -36.9903 -303.558 -127.522 -303.558 -50.6832 GPRESSURE: 1105000 -107.87 45.206 -137.193 -16.2696 32.5816 -235.408 -130.118 -187.408 -73.8162 PRESSAVG: 1105000 36.4386 -19.3782 -9.65925 -19.3782 -0.184639 -26.1714 -9.65932 -26.1713 26.8094 GPRESSAVG: 1105000 37.8791 -21.4095 -9.16228 -21.5677 -2.09483 -25.5062 -9.79233 -26.0376 26.9199 TIMING: 1105000 CPU: 3557.61, 0.00320359/step Wall: 3557.61, 0.00320359/step, 3.46611 hours remaining, 230.105469 MB of memory in use. ENERGY: 1105000 3962.5046 20541.6876 14551.9270 261.4456 -203416.8015 2988.3811 0.0000 0.0000 52109.9522 -109000.9034 299.4766 -161110.8555 -108646.9071 299.8113 -82.4256 -49.7015 761849.7635 21.0211 20.9014 PRESSURE: 1105200 -197.549 -254.362 160.629 -254.363 80.6667 -26.7493 160.629 -26.7484 268.46 GPRESSURE: 1105200 -166.902 -209.029 144.129 -327.402 58.9141 -120.472 55.9034 24.1441 355.076 PRESSAVG: 1105200 -50.1181 -52.7806 19.794 -52.7805 1.27529 2.93997 19.794 2.93994 -0.503175 GPRESSAVG: 1105200 -51.1557 -50.9696 18.9258 -53.7721 2.4775 1.24295 20.1171 2.28332 -0.963815 TIMING: 1105200 CPU: 3558.25, 0.00320201/step Wall: 3558.25, 0.00320201/step, 3.46422 hours remaining, 230.105469 MB of memory in use. ENERGY: 1105200 3968.1170 20500.7514 14537.9979 231.8955 -203250.2664 2674.4668 0.0000 0.0000 52145.4175 -109191.6203 299.6804 -161337.0378 -108833.4914 299.7312 50.5260 82.3625 760730.7025 -16.4487 -16.5473 PRESSURE: 1105400 -365.633 -53.7354 -300.175 -53.7354 17.1795 128.265 -300.174 128.265 -192.456 GPRESSURE: 1105400 -241.812 -71.0997 -305.995 -10.158 16.9847 54.6432 -161.502 167.401 -222.845 PRESSAVG: 1105400 4.74118 -61.9494 13.8936 -61.9494 23.7755 -3.36797 13.8936 -3.36794 0.887719 GPRESSAVG: 1105400 5.50031 -62.4135 13.976 -61.0424 23.3584 -2.6372 16.4929 -2.63835 0.557609 TIMING: 1105400 CPU: 3558.89, 0.00318959/step Wall: 3558.89, 0.00318959/step, 3.45061 hours remaining, 230.105469 MB of memory in use. ENERGY: 1105400 3977.6024 20574.1875 14427.4108 249.5495 -202842.5888 2377.1125 0.0000 0.0000 52045.9671 -109190.7590 299.1089 -161236.7261 -108824.7959 299.4344 -180.3030 -149.2241 761870.1753 9.8015 9.8054 PRESSURE: 1105600 49.4036 -75.4674 84.3198 -75.467 -129.942 68.4615 84.3198 68.4612 160.216 GPRESSURE: 1105600 31.9635 -70.8032 63.3374 -101.392 -60.6497 49.6028 52.5788 42.7236 196.41 PRESSAVG: 1105600 -3.26298 -41.0584 -18.5544 -41.0585 32.361 62.2939 -18.5544 62.2939 13.7374 GPRESSAVG: 1105600 -2.63391 -40.5098 -18.6497 -38.9507 31.9638 64.5034 -19.4969 61.5241 14.0053 TIMING: 1105600 CPU: 3559.53, 0.00322073/step Wall: 3559.53, 0.00322073/step, 3.48411 hours remaining, 230.105469 MB of memory in use. ENERGY: 1105600 3992.1654 20386.3278 14506.8924 267.0333 -203116.8059 2598.0283 0.0000 0.0000 52091.9061 -109274.4526 299.3729 -161366.3587 -108909.4702 300.1007 26.5594 55.9079 760832.7363 14.2784 14.4451 PRESSURE: 1105800 -154.93 131.697 -59.2217 131.696 8.37842 -149.127 -59.2225 -149.126 -255.105 GPRESSURE: 1105800 -127.417 146.605 -132.87 116.65 -35.8865 -24.1239 83.3435 -155.703 -151.338 PRESSAVG: 1105800 29.7577 -19.5864 70.5041 -19.5865 -0.205811 29.7221 70.5041 29.7222 1.72833 GPRESSAVG: 1105800 28.623 -19.9624 68.3606 -21.4874 0.528529 28.2204 69.1765 30.0493 2.00715 TIMING: 1105800 CPU: 3560.19, 0.00326682/step Wall: 3560.19, 0.00326682/step, 3.5338 hours remaining, 230.105469 MB of memory in use. ENERGY: 1105800 3870.3312 20569.7384 14447.0136 246.1582 -202463.7368 1911.6760 0.0000 0.0000 52027.3300 -109391.4893 299.0018 -161418.8193 -109028.1544 299.4051 -133.8858 -104.8804 762417.3375 10.4267 10.3862 PRESSURE: 1106000 146.731 -21.2261 -40.4841 -21.227 64.9762 144.228 -40.4848 144.229 202.331 GPRESSURE: 1106000 189.733 -133.902 -101.919 53.7961 55.8657 117.142 118.495 52.089 234.299 PRESSAVG: 1106000 -34.7494 -38.5792 59.4197 -38.5792 9.66738 41.9409 59.4198 41.9409 0.725877 GPRESSAVG: 1106000 -34.1993 -38.0192 60.5183 -38.0638 10.0053 42.1408 59.9153 41.529 -0.171164 TIMING: 1106000 CPU: 3560.84, 0.00328214/step Wall: 3560.84, 0.00328214/step, 3.55018 hours remaining, 230.105469 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: 1106000 3999.6821 20388.4553 14491.2640 261.5469 -203305.7876 2610.3705 0.0000 0.0000 52154.0242 -109400.4448 299.7299 -161554.4690 -109035.9167 299.1264 138.0127 159.9658 761454.1490 -8.1187 -8.1217 PRESSURE: 1106200 -74.6665 104.379 -14.8673 104.379 -246.869 -188.531 -14.867 -188.531 -168.822 GPRESSURE: 1106200 -110.557 113.668 29.4673 77.6304 -136.666 -266.088 12.9417 -53.7122 -159.173 PRESSAVG: 1106200 -12.0316 47.5158 1.84055 47.5158 39.0896 54.3195 1.84045 54.3195 4.67488 GPRESSAVG: 1106200 -11.7895 46.8255 2.26434 48.8554 38.2948 55.0003 4.40603 53.6498 5.41712 TIMING: 1106200 CPU: 3561.49, 0.00322896/step Wall: 3561.49, 0.00322896/step, 3.49248 hours remaining, 230.105469 MB of memory in use. ENERGY: 1106200 3977.8122 20580.1085 14523.4063 245.5354 -203237.3125 2512.5231 0.0000 0.0000 51992.7931 -109405.1339 298.8033 -161397.9270 -109041.6942 299.1540 -163.4525 -135.4655 763877.6273 10.5776 10.6408 PRESSURE: 1106400 253.278 193.667 172.618 193.667 282.343 42.931 172.619 42.9308 -107.801 GPRESSURE: 1106400 333.912 256.646 121.44 189.325 280.849 160.947 151.635 -40.2573 -107.604 PRESSAVG: 1106400 26.2636 9.41987 -3.50163 9.41995 -1.0816 -4.85205 -3.50158 -4.85205 -14.9932 GPRESSAVG: 1106400 25.5826 9.96818 -3.58711 8.09418 0.953145 -5.48539 -6.52074 -5.8852 -16.052 TIMING: 1106400 CPU: 3562.13, 0.00320495/step Wall: 3562.13, 0.00320495/step, 3.46633 hours remaining, 230.105469 MB of memory in use. ENERGY: 1106400 4005.1849 20517.6469 14506.0027 233.9238 -203170.5045 2343.0231 0.0000 0.0000 52335.1595 -109229.5636 300.7709 -161564.7231 -108860.6161 299.7601 142.6068 169.0525 760025.7160 3.3963 3.4946 PRESSURE: 1106600 -8.50183 74.8225 -72.9735 74.8219 149.017 -47.9678 -72.9735 -47.9666 -36.7434 GPRESSURE: 1106600 39.7362 136.208 -157.224 137.871 159.314 -22.9257 -156.889 2.35476 -15.9704 PRESSAVG: 1106600 46.8304 -1.72975 36.2486 -1.72976 -59.6102 0.0589286 36.2486 0.058941 -1.35629 GPRESSAVG: 1106600 47.4753 -0.812567 34.3472 -1.65258 -60.6464 -0.580457 36.4411 0.606259 -0.638874 TIMING: 1106600 CPU: 3562.77, 0.00318365/step Wall: 3562.77, 0.00318365/step, 3.44312 hours remaining, 230.105469 MB of memory in use. ENERGY: 1106600 4070.6619 20602.4418 14549.3028 258.9524 -203313.8805 2633.4705 0.0000 0.0000 51992.2516 -109206.7994 298.8002 -161199.0510 -108853.3609 299.8905 34.5904 61.0265 762001.9489 -4.7120 -4.6033 PRESSURE: 1106800 -151.724 -32.8618 -69.7625 -32.8619 -216.361 -138.77 -69.762 -138.77 -406.062 GPRESSURE: 1106800 -123.825 43.3828 -77.5659 27.4091 -68.6527 -164.928 -151.633 41.8029 -474.633 PRESSAVG: 1106800 -22.0938 -26.1041 67.2331 -26.1042 14.537 -34.6007 67.2331 -34.6007 16.2411 GPRESSAVG: 1106800 -22.7589 -24.9276 69.6931 -27.557 14.9442 -33.9647 67.5388 -33.7995 16.5752 TIMING: 1106800 CPU: 3563.4, 0.0031821/step Wall: 3563.4, 0.0031821/step, 3.44126 hours remaining, 230.105469 MB of memory in use. ENERGY: 1106800 4013.9182 20607.6818 14518.6106 237.8153 -202911.6936 2285.3598 0.0000 0.0000 52059.0850 -109189.2229 299.1843 -161248.3079 -108841.7139 299.6777 -258.0490 -222.3702 763260.6688 2.8948 2.9202 PRESSURE: 1107000 -79.0791 -250.261 -117.371 -250.261 -82.4292 -87.2007 -117.372 -87.2024 -144.44 GPRESSURE: 1107000 -9.1397 -248.728 -7.57014 -141.354 -25.404 -106.638 -37.7665 -213.083 -191.881 PRESSAVG: 1107000 14.6149 -10.065 25.4428 -10.065 13.7433 23.1368 25.4428 23.1369 8.39999 GPRESSAVG: 1107000 16.3735 -12.5086 24.836 -8.70093 12.6046 23.0914 26.2074 23.3538 7.65714 TIMING: 1107000 CPU: 3564.04, 0.00318111/step Wall: 3564.04, 0.00318111/step, 3.44002 hours remaining, 230.105469 MB of memory in use. ENERGY: 1107000 4032.9240 20556.8008 14526.4602 243.1963 -203275.1218 2532.0145 0.0000 0.0000 52231.4195 -109152.3065 300.1747 -161383.7260 -108785.2246 300.1441 -101.9827 -75.4750 762080.6812 12.2527 12.2117 PRESSURE: 1107200 -35.4269 196.116 -30.2911 196.115 -102.832 -193.952 -30.2917 -193.951 320.123 GPRESSURE: 1107200 13.0887 178.215 18.913 195.548 -83.2805 -200.2 -20.8124 -181.993 336.246 PRESSAVG: 1107200 26.0633 1.65804 2.04961 1.65805 -13.9893 -16.1347 2.04955 -16.1347 10.3464 GPRESSAVG: 1107200 25.2581 3.57216 2.87843 2.38971 -13.3376 -16.5766 0.22246 -17.8793 10.5901 TIMING: 1107200 CPU: 3564.67, 0.00316741/step Wall: 3564.67, 0.00316741/step, 3.42502 hours remaining, 230.105469 MB of memory in use. ENERGY: 1107200 3981.7774 20566.2227 14480.2429 242.6147 -203418.4385 2640.6246 0.0000 0.0000 51989.3519 -109517.6042 298.7835 -161506.9561 -109152.6688 299.3305 60.6211 88.6849 762233.5145 7.4735 7.5035 PRESSURE: 1107400 -175.264 197.462 -36.7834 197.462 389.628 -226.84 -36.7842 -226.84 -22.364 GPRESSURE: 1107400 -125.65 122.61 -42.6502 182.713 377.034 -238.943 40.0458 -181.658 25.0643 PRESSAVG: 1107400 5.84023 -5.16255 48.7291 -5.16253 33.99 -53.0488 48.7292 -53.0489 -7.8997 GPRESSAVG: 1107400 5.64357 -6.53504 47.8554 -7.83174 33.4044 -53.8759 49.9093 -51.7585 -7.41488 TIMING: 1107400 CPU: 3565.31, 0.00317377/step Wall: 3565.31, 0.00317377/step, 3.43172 hours remaining, 230.105469 MB of memory in use. ENERGY: 1107400 4031.4623 20577.6574 14485.0423 253.8765 -203522.4189 2743.7992 0.0000 0.0000 51956.4732 -109474.1080 298.5946 -161430.5812 -109113.7599 299.3333 64.0002 92.1493 761570.4253 10.6435 10.5444 PRESSURE: 1107600 85.208 -56.9821 104.944 -56.9827 309.894 125.626 104.944 125.627 248.411 GPRESSURE: 1107600 133.814 -37.7712 131.472 -42.9951 303.244 73.8855 -8.66037 116.784 275.47 PRESSAVG: 1107600 10.1481 -14.3631 -6.39621 -14.3631 -9.75499 -9.1124 -6.39624 -9.1123 8.89122 GPRESSAVG: 1107600 10.5543 -14.816 -6.49814 -13.5648 -9.6581 -8.09626 -7.52839 -8.73733 8.22433 TIMING: 1107600 CPU: 3565.94, 0.00319043/step Wall: 3565.94, 0.00319043/step, 3.44957 hours remaining, 230.105469 MB of memory in use. ENERGY: 1107600 3970.9450 20487.8105 14508.2828 219.3439 -203373.5454 2608.0102 0.0000 0.0000 52032.7362 -109546.4169 299.0329 -161579.1531 -109180.4421 299.3004 214.5044 237.5096 760261.2760 3.0948 3.0402 PRESSURE: 1107800 199.209 -81.5655 60.9805 -81.5647 426.021 59.9254 60.9806 59.9255 367.671 GPRESSURE: 1107800 240.767 -72.4564 -32.5921 -59.8469 499.305 -27.3488 64.0155 146.526 326.247 PRESSAVG: 1107800 -27.4021 -6.80273 -5.61029 -6.80271 16.5683 4.19082 -5.61025 4.19089 -9.8704 GPRESSAVG: 1107800 -28.5073 -5.48381 -6.92632 -6.86743 18.0852 4.43914 -5.01629 1.87926 -10.0212 TIMING: 1107800 CPU: 3566.58, 0.00317412/step Wall: 3566.58, 0.00317412/step, 3.43175 hours remaining, 230.105469 MB of memory in use. ENERGY: 1107800 4043.9957 20499.1354 14417.0295 257.7775 -203618.5436 2879.5401 0.0000 0.0000 52134.8032 -109386.2621 299.6194 -161521.0653 -109028.1706 299.4634 330.9672 355.4396 761338.6532 -6.9014 -6.8144 PRESSURE: 1108000 -350.274 58.0734 40.053 58.0729 44.3583 -183.933 40.0529 -183.934 -196.235 GPRESSURE: 1108000 -287.746 -16.9578 -16.4096 87.8482 -20.9874 -163.627 160.131 -203.537 -86.6378 PRESSAVG: 1108000 -22.1706 -4.57244 7.25102 -4.57243 -3.20998 -21.7844 7.25102 -21.7845 -9.78127 GPRESSAVG: 1108000 -22.5374 -4.57812 7.93267 -3.82117 -4.30844 -22.0754 6.62303 -19.3876 -8.28764 TIMING: 1108000 CPU: 3567.21, 0.00317332/step Wall: 3567.21, 0.00317331/step, 3.43071 hours remaining, 230.105469 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: 1108000 3983.3354 20530.4164 14438.0404 236.6130 -203181.5042 2489.5552 0.0000 0.0000 51885.9913 -109617.5524 298.1895 -161503.5438 -109253.4137 298.7200 -167.3835 -131.7903 761967.8822 -11.7206 -11.7111 PRESSURE: 1108200 234.667 -165.351 -88.5476 -165.35 -324.288 -2.82467 -88.5476 -2.82625 46.6198 GPRESSURE: 1108200 229.905 -162.346 -10.3151 -82.762 -221.23 -48.501 -64.8547 -101.432 27.6361 PRESSAVG: 1108200 30.5268 -21.8262 33.8806 -21.8263 -17.7127 -36.0789 33.8805 -36.0789 -12.7363 GPRESSAVG: 1108200 30.9331 -21.6036 34.4903 -20.1405 -17.1849 -34.549 34.7376 -36.6529 -13.1982 TIMING: 1108200 CPU: 3567.86, 0.00321236/step Wall: 3567.86, 0.00321236/step, 3.47274 hours remaining, 230.105469 MB of memory in use. ENERGY: 1108200 4001.8412 20405.7971 14399.9109 226.2476 -203056.4665 2356.7263 0.0000 0.0000 51847.5543 -109818.3890 297.9686 -161665.9433 -109463.9706 298.8821 -14.3338 12.1037 759890.0923 0.0259 0.1833 LDB: ============= START OF LOAD BALANCING ============== 3580.28 LDB: ============== END OF LOAD BALANCING =============== 3580.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3580.29 LDB: ============= START OF LOAD BALANCING ============== 3580.61 LDB: Largest compute 7033 load 0.036390 is 18.6% of average load 0.195582 LDB: Average compute 0.004400 is 2.2% of average load 0.195582 LDB: TIME 3580.61 LOAD: AVG 0.195582 MAX 0.215952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.641 MB LDB: TIME 3580.61 LOAD: AVG 0.195582 MAX 0.215952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.734 MB LDB: TIME 3580.61 LOAD: AVG 0.195582 MAX 0.215952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.734 MB LDB: ============== END OF LOAD BALANCING =============== 3580.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3580.62 PRESSURE: 1108400 52.1009 63.6674 -203.003 63.6667 157.129 188.445 -203.002 188.444 -334.365 GPRESSURE: 1108400 -54.2009 68.6358 -137.079 -128.744 269.873 226.832 -223.872 135.056 -270.2 PRESSAVG: 1108400 38.7779 18.2673 -10.632 18.2672 -59.9182 1.51877 -10.632 1.51881 14.3904 GPRESSAVG: 1108400 38.3736 16.5716 -10.4774 15.0396 -59.2975 -0.207775 -10.0745 1.60332 13.8602 TIMING: 1108400 CPU: 3568.51, 0.0032687/step Wall: 3568.51, 0.0032687/step, 3.53346 hours remaining, 232.160156 MB of memory in use. ENERGY: 1108400 3959.0770 20465.5360 14433.2861 254.5787 -203219.0906 2450.1773 0.0000 0.0000 51904.7872 -109751.6483 298.2975 -161656.4355 -109389.2064 298.6619 -41.7116 -18.1759 760775.0626 -2.2500 -2.3546 PRESSURE: 1108600 201.806 -39.4006 -44.3975 -39.4002 26.1222 -240.855 -44.3976 -240.854 490.902 GPRESSURE: 1108600 275.506 -207.01 -80.446 123.189 27.9884 -253.086 -227.582 -67.5596 484.567 PRESSAVG: 1108600 28.0325 -23.2311 67.8822 -23.2311 -35.4019 -12.7048 67.8822 -12.7048 10.9683 GPRESSAVG: 1108600 27.2608 -23.4092 66.4204 -22.325 -34.7445 -11.2861 65.8772 -12.6737 10.8025 TIMING: 1108600 CPU: 3569.15, 0.00320473/step Wall: 3569.15, 0.00320473/step, 3.46413 hours remaining, 232.160156 MB of memory in use. ENERGY: 1108600 3866.1541 20572.9736 14471.6275 238.3594 -203410.8873 2437.9173 0.0000 0.0000 52124.3463 -109699.5091 299.5593 -161823.8554 -109348.5345 298.4319 239.6101 262.6871 760548.2552 1.1996 1.1063 PRESSURE: 1108800 -388.87 47.5334 -116.691 47.5348 148.107 37.6517 -116.691 37.6518 488.28 GPRESSURE: 1108800 -301.472 167.678 -123.379 -13.1278 145.921 161.14 0.461149 20.5694 487.648 PRESSAVG: 1108800 42.6635 17.0928 19.5542 17.0929 -21.5617 -37.3068 19.5542 -37.3068 -14.0473 GPRESSAVG: 1108800 43.8807 18.8756 19.7496 16.9008 -23.1149 -37.0155 22.2827 -37.3944 -13.1768 TIMING: 1108800 CPU: 3569.79, 0.00320953/step Wall: 3569.79, 0.00320953/step, 3.46914 hours remaining, 232.523438 MB of memory in use. ENERGY: 1108800 3895.7232 20607.6622 14434.1569 255.5619 -203355.4067 2599.5071 0.0000 0.0000 51637.9031 -109924.8924 296.7637 -161562.7955 -109566.4267 298.3426 82.5055 110.6987 762875.6793 2.3515 2.5297 PRESSURE: 1109000 -169.926 -64.0341 28.9836 -64.0344 38.4296 -216.441 28.9841 -216.44 203.944 GPRESSURE: 1109000 -30.0799 47.5053 -9.76779 -119.015 7.77436 -266.291 -23.4952 -302.539 172.306 PRESSAVG: 1109000 17.8799 25.3529 46.3638 25.3529 -26.73 6.43812 46.3639 6.43815 17.3214 GPRESSAVG: 1109000 17.4093 26.246 46.1083 27.2019 -25.6253 4.62926 45.691 5.57407 16.2396 TIMING: 1109000 CPU: 3570.44, 0.00323971/step Wall: 3570.44, 0.00323971/step, 3.50158 hours remaining, 232.761719 MB of memory in use. ENERGY: 1109000 3935.8980 20532.7083 14516.1379 254.3732 -203486.4081 2518.4909 0.0000 0.0000 52059.4954 -109669.3044 299.1866 -161728.7998 -109309.5463 298.2927 24.1495 50.0001 760756.9737 2.8238 2.6745 PRESSURE: 1109200 343.077 -80.1328 -190.513 -80.1324 57.9492 -60.0097 -190.512 -60.0107 202.754 GPRESSURE: 1109200 291.436 -46.7669 -177.501 -123.9 80.1979 -48.7725 -234.633 51.8766 328.722 PRESSAVG: 1109200 27.5727 -31.8377 -2.48361 -31.8377 4.15034 -32.7398 -2.4836 -32.7398 -19.8312 GPRESSAVG: 1109200 27.915 -32.238 -2.54489 -32.3971 3.20931 -32.9838 -3.95303 -30.6247 -19.0473 TIMING: 1109200 CPU: 3571.09, 0.00324162/step Wall: 3571.09, 0.00324162/step, 3.50347 hours remaining, 232.761719 MB of memory in use. ENERGY: 1109200 3957.2657 20553.5566 14465.0900 247.6724 -203420.0157 2679.7855 0.0000 0.0000 51902.0461 -109614.5995 298.2818 -161516.6455 -109257.3218 299.0268 201.2598 233.4518 759565.5917 3.9639 4.0257 PRESSURE: 1109400 2.99086 -68.4259 -42.1502 -68.4256 -67.0816 -214.784 -42.1509 -214.784 250.443 GPRESSURE: 1109400 20.2315 -87.8679 102.563 -5.95185 -35.1659 -147.206 -142.682 -221.283 269.735 PRESSAVG: 1109400 -7.60923 -32.006 5.98549 -32.006 -8.44191 -55.4179 5.98551 -55.4178 2.3177 GPRESSAVG: 1109400 -8.60587 -33.4117 6.75124 -31.8753 -7.50903 -53.6008 6.91486 -58.9458 3.12574 TIMING: 1109400 CPU: 3571.73, 0.00321861/step Wall: 3571.73, 0.00321861/step, 3.47842 hours remaining, 232.761719 MB of memory in use. ENERGY: 1109400 3981.2992 20556.2291 14455.5170 246.0435 -203558.0471 2806.4650 0.0000 0.0000 52168.7318 -109343.7615 299.8144 -161512.4933 -108992.2482 299.1710 62.1174 84.9337 760081.8699 -4.5778 -4.3297 PRESSURE: 1109600 -159.903 179.487 148.671 179.487 -346.175 89.3906 148.671 89.3913 -32.5782 GPRESSURE: 1109600 -241.758 139.111 86.7823 107.315 -227.736 32.5164 186.569 192.897 30.1849 PRESSAVG: 1109600 -19.7135 0.22911 51.7351 0.229121 23.7758 -48.1557 51.7351 -48.1557 38.3609 GPRESSAVG: 1109600 -18.6246 2.53332 51.0132 -0.475684 23.2507 -49.541 51.5236 -45.3675 37.75 TIMING: 1109600 CPU: 3572.38, 0.00321806/step Wall: 3572.38, 0.00321806/step, 3.47765 hours remaining, 232.761719 MB of memory in use. ENERGY: 1109600 3952.7592 20524.5777 14513.3831 244.8641 -202889.6821 2216.6017 0.0000 0.0000 52371.0726 -109066.4237 300.9773 -161437.4963 -108689.6271 299.8411 -179.5523 -146.4365 761002.0627 14.1411 14.1254 PRESSURE: 1109800 237.36 44.557 27.8024 44.5563 449.791 142.599 27.8026 142.6 597.234 GPRESSURE: 1109800 369.199 67.218 -1.55175 -11.65 459.104 74.518 105.68 126.33 566.952 PRESSAVG: 1109800 35.1739 39.1386 -3.97843 39.1386 -50.8454 -23.1341 -3.97848 -23.1341 -0.265564 GPRESSAVG: 1109800 35.8979 36.9068 -4.29686 41.3984 -51.7387 -23.8009 -2.19655 -23.7148 -0.211128 TIMING: 1109800 CPU: 3573.03, 0.00327331/step Wall: 3573.03, 0.00327331/step, 3.53717 hours remaining, 232.761719 MB of memory in use. ENERGY: 1109800 3944.9431 20615.3920 14485.6602 244.1949 -203318.4366 2589.1236 0.0000 0.0000 52108.7435 -109330.3792 299.4697 -161439.1227 -108958.6109 299.8310 428.1284 465.0850 760387.0254 -5.3123 -5.3507 PRESSURE: 1110000 278.779 -89.7742 121.573 -89.7736 -265.166 -84.3984 121.572 -84.3984 -42.6374 GPRESSURE: 1110000 217.555 -103.558 149.24 -120.493 -208.75 -111.808 171.538 -161.533 26.9753 PRESSAVG: 1110000 73.2824 -1.0413 67.9449 -1.04132 -84.3958 -12.3928 67.9449 -12.3928 -24.1849 GPRESSAVG: 1110000 72.7503 -1.39179 68.4961 -1.13986 -83.8588 -13.6059 67.6664 -13.5221 -25.0154 TIMING: 1110000 CPU: 3573.68, 0.00324517/step Wall: 3573.68, 0.00324517/step, 3.50659 hours remaining, 232.761719 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: 1110000 3985.0824 20757.9549 14516.4969 246.3526 -203715.0422 2527.4257 0.0000 0.0000 52130.0435 -109551.6863 299.5921 -161681.7298 -109184.4117 299.0795 -9.6747 11.9271 760389.5940 -11.7661 -12.0413 PRESSURE: 1110200 108.87 7.01326 70.5697 7.01355 -134.58 -177.867 70.5689 -177.867 -1.24776 GPRESSURE: 1110200 110.858 -22.835 16.8049 12.2175 -39.635 -154.682 155.052 -75.3566 -10.5888 PRESSAVG: 1110200 31.0248 -19.1313 53.7763 -19.1313 -10.1002 -33.3512 53.7763 -33.3513 31.0284 GPRESSAVG: 1110200 30.749 -17.898 53.2617 -20.0375 -11.3941 -31.3425 52.3375 -31.6813 32.5256 TIMING: 1110200 CPU: 3574.32, 0.00321463/step Wall: 3574.32, 0.00321463/step, 3.4734 hours remaining, 232.761719 MB of memory in use. ENERGY: 1110200 3914.9373 20511.1486 14509.1246 251.6592 -203599.1009 2619.9879 0.0000 0.0000 52169.5711 -109622.6722 299.8192 -161792.2433 -109255.1647 299.2222 -8.9861 20.2115 760926.4804 17.3177 17.2935 PRESSURE: 1110400 229.795 -431.871 -32.4732 -431.87 108.027 56.9733 -32.4717 56.9739 26.7928 GPRESSURE: 1110400 237.439 -385.234 -30.433 -300.186 189.791 48.5097 -82.721 -5.8201 -0.857032 PRESSAVG: 1110400 0.606193 -34.2908 23.3475 -34.2908 -2.61194 11.9688 23.3475 11.9689 -32.5721 GPRESSAVG: 1110400 1.26326 -36.0027 25.0609 -33.5805 -1.88284 11.3413 21.1449 9.61917 -34.0377 TIMING: 1110400 CPU: 3574.96, 0.00319304/step Wall: 3574.96, 0.00319304/step, 3.4499 hours remaining, 232.761719 MB of memory in use. ENERGY: 1110400 3943.6988 20678.2227 14429.5014 236.8465 -204080.1705 2794.3875 0.0000 0.0000 52088.9723 -109908.5413 299.3560 -161997.5136 -109546.0939 299.1472 121.5384 142.1246 761943.1200 -11.5259 -11.5524 PRESSURE: 1110600 136.106 -120.818 41.1769 -120.818 159.375 59.2782 41.1767 59.2784 26.0784 GPRESSURE: 1110600 119.085 -170.176 96.1805 49.0366 275.888 154.11 10.1841 -19.8171 5.65986 PRESSAVG: 1110600 29.0273 -15.164 5.75447 -15.164 -8.98716 -2.24426 5.75455 -2.24424 -28.1671 GPRESSAVG: 1110600 27.8051 -15.5993 5.84023 -14.9835 -7.93001 -1.9692 7.71148 -0.392531 -26.9382 TIMING: 1110600 CPU: 3575.62, 0.00327779/step Wall: 3575.62, 0.00327779/step, 3.54129 hours remaining, 232.761719 MB of memory in use. ENERGY: 1110600 4023.5878 20488.6313 14494.5800 267.2397 -203764.3867 2518.0436 0.0000 0.0000 52135.2058 -109837.0984 299.6217 -161972.3043 -109478.4732 298.3644 107.1865 133.5443 761080.8713 -2.7090 -2.3544 PRESSURE: 1110800 53.5612 63.3114 -168.655 63.3108 -345.662 53.3703 -168.655 53.3704 -16.8371 GPRESSURE: 1110800 34.8179 65.0407 -186.581 114.931 -253.931 -4.28514 -94.3844 168.564 -8.95195 PRESSAVG: 1110800 51.5764 11.2736 27.6402 11.2736 -29.0222 18.6312 27.6402 18.6312 -4.1937 GPRESSAVG: 1110800 53.1086 11.6231 25.346 12.0099 -29.5606 18.1617 27.3635 16.991 -5.19021 TIMING: 1110800 CPU: 3576.26, 0.00319291/step Wall: 3576.26, 0.00319291/step, 3.4494 hours remaining, 232.761719 MB of memory in use. ENERGY: 1110800 4030.4215 20611.4944 14477.4690 236.3023 -203343.8691 2318.2722 0.0000 0.0000 51957.9957 -109711.9140 298.6033 -161669.9097 -109351.4678 299.2237 -102.9793 -76.0217 760656.9926 6.1202 6.1193 PRESSURE: 1111000 -33.9605 -153.223 -72.255 -153.224 85.5687 -42.2661 -72.2557 -42.2664 148.61 GPRESSURE: 1111000 -9.02562 -76.6691 9.71565 -111.084 86.5127 48.3714 -165.382 -13.0087 198.022 PRESSAVG: 1111000 0.0827095 -14.5308 29.7059 -14.5307 -15.938 -31.6242 29.7059 -31.6242 26.3587 GPRESSAVG: 1111000 -0.034379 -15.1529 31.5098 -15.5723 -14.7434 -31.5026 30.474 -31.2377 26.16 TIMING: 1111000 CPU: 3576.9, 0.00320948/step Wall: 3576.9, 0.00320948/step, 3.46713 hours remaining, 232.761719 MB of memory in use. ENERGY: 1111000 3929.6677 20533.2479 14418.8849 234.7899 -203472.6204 2613.7730 0.0000 0.0000 52098.7716 -109643.4854 299.4124 -161742.2570 -109265.9944 298.8357 66.7393 91.8365 760522.2066 3.5011 3.7941 PRESSURE: 1111200 -221.574 -99.3206 -57.4668 -99.321 68.5355 -12.1147 -57.4668 -12.1145 266.161 GPRESSURE: 1111200 -109.436 -121.781 -73.881 -88.1805 119.766 13.0857 -12.8857 -78.4468 181.392 PRESSAVG: 1111200 -54.1545 -81.5909 19.0073 -81.591 62.8512 -17.7428 19.0073 -17.7428 -13.7296 GPRESSAVG: 1111200 -54.1203 -80.6946 17.6858 -81.0054 62.0975 -18.0204 20.3447 -16.7182 -12.9914 TIMING: 1111200 CPU: 3577.54, 0.00321491/step Wall: 3577.54, 0.00321491/step, 3.47282 hours remaining, 232.761719 MB of memory in use. ENERGY: 1111200 3992.8861 20675.8239 14463.7128 233.3449 -203545.8598 2515.9989 0.0000 0.0000 51929.3580 -109734.7353 298.4387 -161664.0932 -109377.4566 299.1206 37.7073 63.9069 761102.4730 -1.6776 -1.6714 PRESSURE: 1111400 -221.617 172.334 -175.32 172.334 161.413 222.507 -175.32 222.508 -392.643 GPRESSURE: 1111400 -158.621 198.906 -227.205 242.122 178.572 235.067 -38.269 215.874 -385.016 PRESSAVG: 1111400 -75.7145 -41.7838 2.61825 -41.7837 80.1643 44.0602 2.61827 44.0602 17.5799 GPRESSAVG: 1111400 -76.4904 -40.5068 3.24322 -43.2849 79.1597 43.3393 1.90062 44.0885 19.2181 TIMING: 1111400 CPU: 3578.18, 0.00319505/step Wall: 3578.18, 0.00319505/step, 3.45118 hours remaining, 232.761719 MB of memory in use. ENERGY: 1111400 4003.1839 20433.7322 14571.6008 251.4534 -203417.4712 2411.6977 0.0000 0.0000 51986.4663 -109759.3369 298.7669 -161745.8032 -109384.6207 299.0006 -150.9489 -121.6883 760816.3928 7.3432 7.2958 PRESSURE: 1111600 85.6358 7.01107 78.2931 7.01129 118.99 2.35702 78.2924 2.35802 -4.94815 GPRESSURE: 1111600 4.52828 -39.0228 114.316 31.3679 285.911 88.7481 57.639 -88.6504 -0.749975 PRESSAVG: 1111600 -84.1589 -65.2424 -6.68651 -65.2425 62.3261 -0.94376 -6.68645 -0.943726 19.6312 GPRESSAVG: 1111600 -84.3301 -64.4341 -6.32709 -64.5502 62.7286 1.12877 -7.30639 -1.13964 18.7861 TIMING: 1111600 CPU: 3578.82, 0.00317541/step Wall: 3578.82, 0.00317541/step, 3.42979 hours remaining, 232.761719 MB of memory in use. ENERGY: 1111600 4094.8858 20553.3412 14513.5223 245.2397 -203421.6207 2320.3558 0.0000 0.0000 52273.6829 -109420.5930 300.4176 -161694.2759 -109059.8282 299.5315 66.5592 96.5632 760109.3833 -0.7339 -0.9384 PRESSURE: 1111800 -297.477 201.28 11.5822 201.28 -318.049 -330.712 11.582 -330.713 -147.904 GPRESSURE: 1111800 -202.405 161.613 44.6267 168.042 -298.992 -296.964 9.01415 -320.654 -188.469 PRESSAVG: 1111800 -88.9574 2.82138 -5.04284 2.82141 113.484 1.80908 -5.04286 1.80905 8.19425 GPRESSAVG: 1111800 -88.7444 -0.0119012 -5.33049 3.29117 113.286 -0.704157 -5.66577 2.44768 7.80683 TIMING: 1111800 CPU: 3579.45, 0.0031707/step Wall: 3579.45, 0.0031707/step, 3.42453 hours remaining, 232.761719 MB of memory in use. ENERGY: 1111800 4051.9426 20624.8649 14410.6447 234.7460 -203546.0527 2302.9338 0.0000 0.0000 52157.7120 -109763.2088 299.7511 -161920.9207 -109393.4524 299.7116 -254.4767 -229.9551 758582.9982 10.9071 10.7828 PRESSURE: 1112000 156.266 -115.981 79.8143 -115.982 306.218 -41.0198 79.8139 -41.0208 328.732 GPRESSURE: 1112000 210.551 -264.014 112.82 -26.153 324.518 -7.8319 -66.8108 43.7008 338.617 PRESSAVG: 1112000 -82.0368 -17.2891 -9.0093 -17.2891 61.9309 -6.19463 -9.00929 -6.19466 26.5729 GPRESSAVG: 1112000 -82.0531 -15.5376 -9.5681 -16.799 63.5461 -3.98449 -8.31098 -4.57058 25.3 TIMING: 1112000 CPU: 3580.09, 0.00318735/step Wall: 3580.09, 0.00318735/step, 3.44234 hours remaining, 232.761719 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: 1112000 3957.9045 20600.3111 14445.3487 255.8244 -203815.3305 2928.8963 0.0000 0.0000 51801.4900 -109825.5554 297.7039 -161627.0454 -109466.3163 299.0241 263.7388 291.2284 758928.0116 2.1557 2.2643 PRESSURE: 1112200 -213.051 -170.828 -203.042 -170.829 -103.023 190.673 -203.043 190.675 232.434 GPRESSURE: 1112200 -108.997 -210.06 -232.365 -196.056 -149.104 191.938 -221.238 147.929 271.781 PRESSAVG: 1112200 -20.1388 28.2052 -14.5094 28.2053 29.4715 27.7161 -14.5094 27.7162 7.23683 GPRESSAVG: 1112200 -19.9187 27.0116 -13.968 28.7969 28.3122 27.8563 -14.3685 25.2421 7.60201 TIMING: 1112200 CPU: 3580.72, 0.00318961/step Wall: 3580.72, 0.00318961/step, 3.4446 hours remaining, 232.761719 MB of memory in use. ENERGY: 1112200 3976.1112 20433.8512 14440.4810 236.1166 -203832.1558 2944.4507 0.0000 0.0000 52159.4961 -109641.6490 299.7613 -161801.1451 -109264.8872 299.1541 -27.8799 4.5599 758319.3109 5.5232 5.3318 LDB: ============= START OF LOAD BALANCING ============== 3593.15 LDB: ============== END OF LOAD BALANCING =============== 3593.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3593.15 LDB: ============= START OF LOAD BALANCING ============== 3593.47 LDB: Largest compute 7069 load 0.036728 is 18.8% of average load 0.195462 LDB: Average compute 0.004408 is 2.3% of average load 0.195462 LDB: TIME 3593.48 LOAD: AVG 0.195462 MAX 0.216272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.137 MB LDB: TIME 3593.48 LOAD: AVG 0.195462 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.25 MB LDB: TIME 3593.48 LOAD: AVG 0.195462 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.25 MB LDB: ============== END OF LOAD BALANCING =============== 3593.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3593.48 PRESSURE: 1112400 -134.882 -8.02613 -129.327 -8.02696 39.1122 -204.351 -129.326 -204.351 94.621 GPRESSURE: 1112400 -71.1726 5.4293 -93.3025 -20.793 53.4832 -254.654 -44.2584 -74.7244 83.6685 PRESSAVG: 1112400 -44.6939 -26.5377 29.1273 -26.5377 48.7845 20.3814 29.1273 20.3815 -8.78459 GPRESSAVG: 1112400 -45.4497 -25.7382 29.1423 -25.3573 48.5056 18.8299 29.2445 22.2635 -7.68448 TIMING: 1112400 CPU: 3581.38, 0.00325746/step Wall: 3581.38, 0.00325746/step, 3.5177 hours remaining, 231.296875 MB of memory in use. ENERGY: 1112400 3976.4110 20489.8140 14370.1419 230.4477 -203314.3610 2422.4230 0.0000 0.0000 52106.1290 -109718.9945 299.4546 -161825.1235 -109346.5963 299.1919 -0.3831 21.9930 760300.8793 -1.5647 -1.5429 PRESSURE: 1112600 -26.1656 70.7876 -40.511 70.7876 555.507 244.629 -40.5107 244.629 -388.067 GPRESSURE: 1112600 71.1041 5.23168 -45.7428 88.6017 498.566 108.004 -57.6825 209.47 -353.52 PRESSAVG: 1112600 -8.20556 -31.3513 5.29834 -31.3514 5.46184 4.63074 5.29837 4.63076 21.8332 GPRESSAVG: 1112600 -8.89359 -31.0447 5.35808 -34.0844 5.61206 3.67555 5.76678 4.15151 22.2579 TIMING: 1112600 CPU: 3582.01, 0.00318745/step Wall: 3582.01, 0.00318745/step, 3.44191 hours remaining, 231.496094 MB of memory in use. ENERGY: 1112600 3987.0555 20520.3480 14495.7150 265.9724 -203252.7277 2480.3931 0.0000 0.0000 51763.3586 -109739.8850 297.4847 -161503.2436 -109389.8967 298.2049 47.0915 72.0502 758144.1626 6.3631 6.3255 PRESSURE: 1112800 -101.133 9.44264 -133.857 9.44265 212.93 -153.849 -133.856 -153.849 349.437 GPRESSURE: 1112800 -64.1784 -76.4595 -139.257 11.2748 259.899 -261.322 -39.9365 -71.675 345.558 PRESSAVG: 1112800 2.86668 -14.2688 -7.20803 -14.2688 48.505 33.0508 -7.20804 33.0507 -4.6287 GPRESSAVG: 1112800 3.52212 -12.9709 -5.6202 -11.2698 49.1312 31.751 -8.65055 33.1223 -5.48811 TIMING: 1112800 CPU: 3582.65, 0.00317116/step Wall: 3582.65, 0.00317116/step, 3.42415 hours remaining, 231.496094 MB of memory in use. ENERGY: 1112800 3992.1265 20535.1537 14500.2735 248.7794 -203693.4131 2526.4209 0.0000 0.0000 51957.6492 -109933.0100 298.6013 -161890.6591 -109572.2695 298.7189 153.7446 180.4263 756486.2539 15.5810 15.7217 PRESSURE: 1113000 -275.88 73.0526 24.3197 73.0526 -46.515 178.699 24.3201 178.697 -349.6 GPRESSURE: 1113000 -264.172 50.3779 13.4397 42.3454 25.5671 201.97 142.449 234.846 -351.339 PRESSAVG: 1113000 -3.98234 -18.6675 36.1076 -18.6674 30.5891 4.57519 36.1075 4.57519 -12.6128 GPRESSAVG: 1113000 -3.40874 -20.5158 34.493 -20.373 29.333 6.52105 37.6233 4.76006 -12.0891 TIMING: 1113000 CPU: 3583.29, 0.00322365/step Wall: 3583.29, 0.00322365/step, 3.48065 hours remaining, 231.496094 MB of memory in use. ENERGY: 1113000 3949.7085 20452.6194 14402.9419 230.0356 -203169.0208 2143.6217 0.0000 0.0000 52005.5118 -109984.5819 298.8764 -161990.0936 -109617.5127 298.7019 -223.9982 -196.6478 758874.7471 4.6646 4.6117 PRESSURE: 1113200 -239.275 228.775 -225.626 228.774 -420.928 117.009 -225.627 117.009 -231.881 GPRESSURE: 1113200 -190.581 210.325 -276.485 273.013 -344.805 28.8315 -234.422 42.129 -270.561 PRESSAVG: 1113200 -14.1473 -11.5043 21.2202 -11.5043 21.746 65.5778 21.2201 65.5778 -9.76875 GPRESSAVG: 1113200 -13.4919 -9.88444 20.5399 -12.0184 21.5482 64.3279 21.9102 66.0746 -10.6286 TIMING: 1113200 CPU: 3583.93, 0.00320009/step Wall: 3583.93, 0.00320009/step, 3.45503 hours remaining, 231.496094 MB of memory in use. ENERGY: 1113200 3990.7346 20497.6657 14506.1922 261.2033 -203151.5311 2218.1970 0.0000 0.0000 52146.8519 -109530.6865 299.6887 -161677.5384 -109166.4308 299.0205 -297.3614 -268.6492 761762.5296 -0.7233 -0.8574 PRESSURE: 1113400 -176.193 151.777 100.62 151.777 -126.55 148.41 100.619 148.41 75.0509 GPRESSURE: 1113400 -169.679 181.881 39.8249 188.664 -92.5991 123.398 111.366 61.4432 128.912 PRESSAVG: 1113400 -23.7617 -8.48671 -18.329 -8.48671 42.493 37.3871 -18.329 37.3872 -2.51309 GPRESSAVG: 1113400 -25.5616 -9.37007 -17.8832 -10.1457 42.4058 37.2803 -20.987 37.6606 -1.22639 TIMING: 1113400 CPU: 3584.58, 0.00325462/step Wall: 3584.58, 0.00325462/step, 3.51372 hours remaining, 231.496094 MB of memory in use. ENERGY: 1113400 3989.2142 20570.2164 14391.9395 236.0794 -203187.4898 2595.9420 0.0000 0.0000 52071.7654 -109332.3329 299.2572 -161404.0983 -108972.0718 299.7462 -75.8973 -44.4556 761940.0419 5.4061 5.2059 PRESSURE: 1113600 187.373 -56.1958 26.4193 -56.1954 74.4428 60.2477 26.4196 60.248 194.974 GPRESSURE: 1113600 184.285 -48.5386 106.742 -40.2051 119.121 12.5317 -14.7514 -25.3533 228.369 PRESSAVG: 1113600 16.4158 -45.7163 5.97723 -45.7164 -20.7263 49.6491 5.97725 49.6491 -28.5797 GPRESSAVG: 1113600 16.7384 -44.7977 6.94019 -43.628 -20.0952 49.8887 6.5029 48.5651 -29.62 TIMING: 1113600 CPU: 3585.22, 0.00319235/step Wall: 3585.22, 0.00319235/step, 3.44632 hours remaining, 231.496094 MB of memory in use. ENERGY: 1113600 4013.9973 20555.1323 14439.8037 248.1385 -203293.1116 2517.4818 0.0000 0.0000 52146.0270 -109372.5310 299.6839 -161518.5580 -109015.6033 299.8081 152.2630 177.2583 759455.1033 -10.9634 -10.9923 PRESSURE: 1113800 -32.7393 -67.2839 121.135 -67.2838 42.3865 -86.5373 121.136 -86.5384 274.6 GPRESSURE: 1113800 33.4783 -85.2054 195.19 -79.608 27.7864 -133.895 155.965 -13.6848 281.014 PRESSAVG: 1113800 -26.255 -38.3771 13.8195 -38.3771 -2.55841 -1.72491 13.8195 -1.72488 -9.18534 GPRESSAVG: 1113800 -26.078 -39.2237 11.6926 -39.0619 -2.85809 -0.416739 14.3864 -2.8057 -8.78875 TIMING: 1113800 CPU: 3585.86, 0.0031864/step Wall: 3585.86, 0.0031864/step, 3.43972 hours remaining, 231.496094 MB of memory in use. ENERGY: 1113800 3947.2250 20366.5679 14360.7403 264.5521 -202944.6164 2295.2150 0.0000 0.0000 52214.5888 -109495.7272 300.0780 -161710.3160 -109128.1690 299.0762 94.7492 114.0930 759743.5726 -12.6663 -12.5749 PRESSURE: 1114000 -54.9393 121.257 -37.6866 121.257 371.275 -42.8267 -37.6864 -42.827 -164.597 GPRESSURE: 1114000 72.4026 82.5447 -88.2645 135.565 385.136 73.611 87.7899 -35.405 -209.161 PRESSAVG: 1114000 -28.6212 -33.6952 36.449 -33.6952 11.4763 -11.1187 36.449 -11.1187 2.08654 GPRESSAVG: 1114000 -27.5833 -32.4484 38.6201 -33.7178 11.0484 -11.3559 37.449 -10.3886 1.67407 TIMING: 1114000 CPU: 3586.5, 0.00318946/step Wall: 3586.5, 0.00318946/step, 3.44285 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1114000 4003.1770 20468.2939 14444.0989 236.4794 -202832.2796 2526.7287 0.0000 0.0000 51862.4328 -109291.0689 298.0541 -161153.5017 -108931.2059 299.1166 50.5797 82.7926 761258.7420 -5.0195 -4.9536 PRESSURE: 1114200 -361.674 -37.5105 58.4752 -37.5113 51.7116 68.8339 58.4752 68.8338 22.5025 GPRESSURE: 1114200 -379.225 -94.9418 23.9117 75.7477 125.859 1.89269 85.1591 -32.3406 25.449 PRESSAVG: 1114200 -51.4519 -7.89077 17.8581 -7.89077 28.5471 -11.6797 17.8581 -11.6797 32.6921 GPRESSAVG: 1114200 -52.947 -9.70416 16.483 -5.93446 29.6765 -11.362 16.792 -12.0447 32.9557 TIMING: 1114200 CPU: 3587.14, 0.00322015/step Wall: 3587.14, 0.00322015/step, 3.47579 hours remaining, 231.496094 MB of memory in use. ENERGY: 1114200 4043.3037 20509.8061 14473.7478 234.4369 -202834.8328 2174.7816 0.0000 0.0000 52230.1583 -109168.5985 300.1674 -161398.7568 -108800.9438 299.6377 -95.8201 -75.9726 761142.3817 3.2624 3.2284 PRESSURE: 1114400 371.177 -145.365 -60.6503 -145.365 -323.532 29.869 -60.6493 29.8682 -182.824 GPRESSURE: 1114400 441.633 -121.348 -61.8344 -28.2005 -309.684 -2.42541 25.358 63.7055 -177.416 PRESSAVG: 1114400 48.2616 -27.8324 39.0874 -27.8325 30.4431 -18.0794 39.0874 -18.0793 4.41667 GPRESSAVG: 1114400 47.544 -29.1195 40.0047 -28.6982 30.9073 -20.0084 38.1152 -17.0441 4.37608 TIMING: 1114400 CPU: 3587.78, 0.00320786/step Wall: 3587.78, 0.00320786/step, 3.46235 hours remaining, 231.496094 MB of memory in use. ENERGY: 1114400 4005.6954 20535.9243 14459.2843 272.6677 -203049.9187 2517.3808 0.0000 0.0000 52105.8692 -109153.0970 299.4531 -161258.9662 -108788.4292 300.4926 -45.0597 -15.1556 760494.7214 27.7071 27.6091 PRESSURE: 1114600 -247.633 115.862 -116.824 115.862 -39.8309 93.1201 -116.825 93.1212 -230.425 GPRESSURE: 1114600 -230.85 197.374 -122.921 193.859 -40.385 -0.0418423 -204.302 133.405 -146.339 PRESSAVG: 1114600 -67.4798 -42.0704 28.818 -42.0704 25.2965 -0.212934 28.818 -0.213051 2.71098 GPRESSAVG: 1114600 -66.1987 -39.7961 28.1086 -41.5325 24.6396 1.04479 29.8566 -0.115927 2.32265 TIMING: 1114600 CPU: 3588.43, 0.00323104/step Wall: 3588.43, 0.00323104/step, 3.48718 hours remaining, 231.496094 MB of memory in use. ENERGY: 1114600 3910.3848 20447.7473 14440.0061 239.1253 -203014.1165 2276.1036 0.0000 0.0000 52179.9203 -109520.8291 299.8787 -161700.7494 -109156.3186 299.6255 -172.6297 -139.1915 760555.4154 -13.1574 -13.0788 PRESSURE: 1114800 -75.7319 -202.55 -16.9403 -202.55 -16.7754 112.698 -16.9404 112.698 226.866 GPRESSURE: 1114800 -111.287 -250.93 8.83804 -146.541 59.1058 154.032 -123.453 99.3984 255.969 PRESSAVG: 1114800 26.4796 -21.0872 -30.8613 -21.0872 -22.8937 -27.1663 -30.8613 -27.1664 7.52706 GPRESSAVG: 1114800 26.1839 -22.0114 -31.1503 -21.8253 -23.3775 -27.2532 -31.4397 -29.016 8.03567 TIMING: 1114800 CPU: 3589.07, 0.00319345/step Wall: 3589.07, 0.00319345/step, 3.44644 hours remaining, 231.496094 MB of memory in use. ENERGY: 1114800 3929.9360 20540.0564 14445.5833 255.0128 -202870.2502 2473.6364 0.0000 0.0000 51971.7421 -109254.2832 298.6823 -161226.0253 -108904.2270 299.4748 44.7862 67.9292 759417.0663 3.7043 3.6140 PRESSURE: 1115000 148.365 7.78173 -13.2517 7.78097 41.0675 -262.26 -13.251 -262.261 420.083 GPRESSURE: 1115000 121.556 -115.435 58.2265 40.8427 46.9272 -463.78 85.8912 -297.272 505.257 PRESSAVG: 1115000 -54.7052 -16.2218 13.3151 -16.2217 13.2465 -64.8636 13.3151 -64.8635 7.69278 GPRESSAVG: 1115000 -54.141 -15.9523 13.2479 -16.8984 13.0739 -63.8918 14.323 -64.2623 7.21663 TIMING: 1115000 CPU: 3589.71, 0.00318733/step Wall: 3589.71, 0.00318733/step, 3.43966 hours remaining, 231.496094 MB of memory in use. ENERGY: 1115000 3934.5706 20623.1543 14415.5848 252.3085 -203396.7133 2689.0417 0.0000 0.0000 52223.1426 -109258.9107 300.1271 -161482.0533 -108893.6318 300.2008 203.1718 224.5799 758953.7536 -11.2553 -11.2835 PRESSURE: 1115200 162.935 -142.707 -128.127 -142.708 -174.812 -173.789 -128.127 -173.789 -39.8303 GPRESSURE: 1115200 132.598 -231.853 -63.9338 -43.8386 -88.5746 -65.7853 -98.2597 -136.06 -7.40626 PRESSAVG: 1115200 44.3163 -63.399 36.1531 -63.399 -2.98861 -22.0912 36.1531 -22.0912 3.80046 GPRESSAVG: 1115200 42.9753 -64.3735 36.7961 -62.2848 -1.33244 -22.005 36.4099 -19.8832 3.40923 TIMING: 1115200 CPU: 3590.35, 0.00321071/step Wall: 3590.35, 0.00321071/step, 3.46471 hours remaining, 231.496094 MB of memory in use. ENERGY: 1115200 4054.7678 20526.7493 14465.3632 233.7323 -203024.5369 2387.7323 0.0000 0.0000 52238.6361 -109117.5560 300.2162 -161356.1921 -108754.3706 300.5193 -17.2357 12.2057 757471.1211 15.0427 15.0174 PRESSURE: 1115400 -2.33118 1.81766 40.8034 1.81876 -140.71 -20.1783 40.8036 -20.1785 534.637 GPRESSURE: 1115400 72.065 140.972 76.5327 24.846 -9.20294 -114.444 76.3247 -49.6824 404.864 PRESSAVG: 1115400 14.4906 -107.266 38.5809 -107.266 -37.7137 -39.8161 38.5808 -39.816 -5.57858 GPRESSAVG: 1115400 14.7652 -104.99 39.2798 -106.89 -38.7198 -39.3996 37.7846 -42.7075 -4.63923 TIMING: 1115400 CPU: 3590.98, 0.00317579/step Wall: 3590.98, 0.00317579/step, 3.42685 hours remaining, 231.496094 MB of memory in use. ENERGY: 1115400 3940.0533 20547.1205 14567.9212 251.4562 -203088.9302 2529.0191 0.0000 0.0000 52155.6917 -109097.6682 299.7395 -161253.3599 -108731.9264 300.3910 130.5320 155.9088 759800.6806 -9.6006 -9.5313 PRESSURE: 1115600 -372.055 -14.3326 39.1513 -14.3327 44.7733 -244.19 39.151 -244.19 540.25 GPRESSURE: 1115600 -310.308 -32.1247 54.4048 -81.9774 73.323 -246.897 23.5136 -154.054 549.311 PRESSAVG: 1115600 -27.6811 -56.5265 32.4439 -56.5265 36.7807 -62.3136 32.4438 -62.3136 -7.7022 GPRESSAVG: 1115600 -27.9924 -57.7994 32.8671 -58.6959 36.8862 -61.9223 30.5597 -60.6769 -7.40203 TIMING: 1115600 CPU: 3591.62, 0.00318346/step Wall: 3591.62, 0.00318346/step, 3.43496 hours remaining, 231.496094 MB of memory in use. ENERGY: 1115600 3981.4115 20573.4165 14528.7993 216.2533 -202737.4760 2327.1849 0.0000 0.0000 51969.2233 -109141.1872 298.6678 -161110.4105 -108770.6984 299.9698 70.9895 104.1085 760234.7685 0.4658 0.4973 PRESSURE: 1115800 64.5624 364.111 -127.209 364.111 -23.4385 200.102 -127.208 200.101 -87.7382 GPRESSURE: 1115800 35.7326 306.272 -98.9805 377.503 15.4327 100.129 16.2716 262.828 -15.8428 PRESSAVG: 1115800 54.5656 -6.75658 35.4547 -6.75652 -65.0207 5.33177 35.4547 5.33177 9.78278 GPRESSAVG: 1115800 54.8783 -8.00171 34.6365 -4.22373 -64.375 3.33968 37.3152 4.72231 8.52856 TIMING: 1115800 CPU: 3592.26, 0.00321164/step Wall: 3592.26, 0.00321164/step, 3.46518 hours remaining, 231.496094 MB of memory in use. ENERGY: 1115800 3911.6275 20452.0865 14424.0439 237.8128 -202963.1339 2464.3894 0.0000 0.0000 52033.5125 -109439.6613 299.0373 -161473.1738 -109075.2341 299.8606 -15.5381 11.7741 760646.2003 -0.2241 -0.3227 PRESSURE: 1116000 -34.8697 -260.074 -119.047 -260.073 -367.402 -195.765 -119.046 -195.765 -149.336 GPRESSURE: 1116000 5.30785 -101.37 -15.6544 -316.667 -391.787 -187.851 -178.484 -172.886 -69.4422 PRESSAVG: 1116000 -5.23558 -16.0203 18.2714 -16.0204 -30.7379 2.48542 18.2714 2.48541 -4.02527 GPRESSAVG: 1116000 -5.54632 -14.2072 18.7228 -17.9198 -31.298 5.05971 18.1313 3.73753 -3.34254 TIMING: 1116000 CPU: 3592.91, 0.00321884/step Wall: 3592.91, 0.00321884/step, 3.47277 hours remaining, 231.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1116000 3982.3812 20534.0263 14466.3747 217.3735 -202680.6329 2069.1390 0.0000 0.0000 51885.2199 -109526.1181 298.1851 -161411.3380 -109170.1495 299.3085 -183.8691 -151.9739 762773.7054 -13.3329 -13.3956 PRESSURE: 1116200 199.906 89.7714 -92.5331 89.7718 -350.252 106.75 -92.5333 106.751 -130.007 GPRESSURE: 1116200 248.736 114.042 -18.9933 78.2428 -341.903 32.1271 -10.1479 60.1928 -111.915 PRESSAVG: 1116200 73.0672 -59.7753 -5.9554 -59.7753 -38.0283 -11.8086 -5.9554 -11.8086 -8.13944 GPRESSAVG: 1116200 72.6108 -62.0759 -6.61662 -59.8066 -37.0212 -13.884 -7.61118 -13.3578 -9.0744 TIMING: 1116200 CPU: 3593.55, 0.00321391/step Wall: 3593.55, 0.00321391/step, 3.46727 hours remaining, 231.496094 MB of memory in use. ENERGY: 1116200 4070.3378 20515.0443 14432.3208 237.1686 -203151.3115 2559.2180 0.0000 0.0000 52028.4992 -109308.7229 299.0085 -161337.2221 -108946.8682 299.6586 -93.4512 -68.3607 761260.6579 8.9665 8.8384 LDB: ============= START OF LOAD BALANCING ============== 3605.98 LDB: ============== END OF LOAD BALANCING =============== 3605.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3605.98 LDB: ============= START OF LOAD BALANCING ============== 3606.3 LDB: Largest compute 7033 load 0.037536 is 19.2% of average load 0.195507 LDB: Average compute 0.004404 is 2.3% of average load 0.195507 LDB: TIME 3606.3 LOAD: AVG 0.195507 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.527 MB LDB: TIME 3606.31 LOAD: AVG 0.195507 MAX 0.212969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.527 MB LDB: TIME 3606.31 LOAD: AVG 0.195507 MAX 0.212969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.527 MB LDB: ============== END OF LOAD BALANCING =============== 3606.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3606.31 PRESSURE: 1116400 -11.6039 -137.481 146.701 -137.481 -113.255 59.6391 146.702 59.64 32.0865 GPRESSURE: 1116400 -30.9898 -33.2758 104.293 -61.879 -17.0063 26.1142 247.423 38.4514 29.3533 PRESSAVG: 1116400 24.8603 41.181 44.9747 41.181 -19.3639 -56.1498 44.9748 -56.1497 2.92307 GPRESSAVG: 1116400 24.2389 41.9709 43.4751 43.8629 -20.7239 -57.2552 48.4356 -54.3283 4.99475 TIMING: 1116400 CPU: 3594.21, 0.00328865/step Wall: 3594.21, 0.00328865/step, 3.54772 hours remaining, 230.074219 MB of memory in use. ENERGY: 1116400 4007.7305 20550.8012 14522.5017 229.3672 -203232.5637 2601.8780 0.0000 0.0000 52096.4580 -109223.8272 299.3991 -161320.2852 -108864.0269 299.5667 -30.9240 -6.2143 760883.7028 2.8065 2.8366 PRESSURE: 1116600 -304.839 -1.54747 -90.6314 -1.54776 -60.5471 106.302 -90.632 106.301 247.726 GPRESSURE: 1116600 -232.102 83.4261 -81.2349 -105.99 -65.3801 62.2597 -226.572 120.305 266.842 PRESSAVG: 1116600 -14.4919 -7.07465 41.8101 -7.07463 9.36686 0.192822 41.81 0.192834 2.8363 GPRESSAVG: 1116600 -14.1648 -8.75102 42.3754 -8.18953 11.1371 1.70813 39.547 -2.13785 0.974691 TIMING: 1116600 CPU: 3594.85, 0.00320481/step Wall: 3594.85, 0.00320481/step, 3.4571 hours remaining, 230.074219 MB of memory in use. ENERGY: 1116600 3977.4441 20366.5814 14490.2561 256.5435 -203141.5251 2422.2021 0.0000 0.0000 52321.6437 -109306.8541 300.6932 -161628.4978 -108946.6622 299.6935 -39.2200 -10.2133 761283.5999 -0.7629 -0.6844 PRESSURE: 1116800 -181.743 100.933 -104.408 100.933 -253.083 128.632 -104.409 128.632 224.632 GPRESSURE: 1116800 -142.036 163.718 -70.3902 -10.7507 -56.7145 100.863 -76.3057 141.954 91.7355 PRESSAVG: 1116800 29.0486 -47.8398 -12.4945 -47.8399 -8.4963 -1.86293 -12.4945 -1.86287 -20.2643 GPRESSAVG: 1116800 28.555 -46.3791 -13.1398 -49.4161 -8.85677 -3.76524 -12.2769 -0.801306 -20.0087 TIMING: 1116800 CPU: 3595.49, 0.00320458/step Wall: 3595.49, 0.00320458/step, 3.45667 hours remaining, 230.273438 MB of memory in use. ENERGY: 1116800 3996.8397 20574.7970 14461.2133 250.1031 -203207.3693 2477.7249 0.0000 0.0000 52072.5038 -109374.1875 299.2614 -161446.6912 -109015.7386 299.4423 -70.0646 -35.6717 761409.8648 0.0960 -0.1035 PRESSURE: 1117000 41.6066 -193.962 -37.3807 -193.961 -310.26 -147.882 -37.3807 -147.883 49.9346 GPRESSURE: 1117000 54.4474 -154.97 37.9031 -138.221 -206.469 -146.24 22.9883 -197.172 3.26697 PRESSAVG: 1117000 12.3472 -35.08 33.9298 -35.0801 18.6742 -10.1145 33.9298 -10.1145 21.5702 GPRESSAVG: 1117000 12.9242 -34.7998 35.9653 -33.4642 18.0537 -8.3 32.2934 -9.67387 22.0548 TIMING: 1117000 CPU: 3596.12, 0.00317426/step Wall: 3596.12, 0.00317426/step, 3.4238 hours remaining, 230.273438 MB of memory in use. ENERGY: 1117000 4035.6407 20463.4938 14487.1320 250.5871 -203341.2196 2526.6087 0.0000 0.0000 52303.4962 -109274.2612 300.5889 -161577.7574 -108915.7564 299.6731 -72.9062 -49.5849 759695.9441 17.5305 17.6776 PRESSURE: 1117200 66.3923 -170.387 -64.4903 -170.388 -10.5914 134.08 -64.49 134.08 67.417 GPRESSURE: 1117200 80.7532 -99.0917 -101.405 -148.145 39.903 97.5956 -42.2434 146.973 57.182 PRESSAVG: 1117200 38.9282 -61.9139 -27.785 -61.9139 -22.0544 -50.2704 -27.7851 -50.2704 -19.9471 GPRESSAVG: 1117200 39.5844 -63.0866 -29.4812 -60.7837 -22.9732 -49.7653 -26.6906 -50.3087 -19.4901 TIMING: 1117200 CPU: 3596.76, 0.00320878/step Wall: 3596.76, 0.00320878/step, 3.46085 hours remaining, 230.273438 MB of memory in use. ENERGY: 1117200 3968.5235 20608.3304 14404.2837 230.0207 -202827.1612 2370.4843 0.0000 0.0000 52001.3595 -109244.1590 298.8525 -161245.5185 -108888.0550 299.4864 41.0726 59.2794 762134.2661 -1.0244 -0.9596 PRESSURE: 1117400 -402.441 -93.4914 68.4829 -93.4907 -158.604 -124.3 68.4826 -124.301 188.895 GPRESSURE: 1117400 -381.141 19.7723 16.6336 -41.1454 -89.4066 -163.16 19.8577 -111.174 192.169 PRESSAVG: 1117400 46.9777 -50.2636 39.9765 -50.2635 -42.1321 -37.3283 39.9765 -37.3283 -24.1448 GPRESSAVG: 1117400 47.2156 -48.8858 39.3616 -50.8485 -41.4163 -38.3899 39.779 -39.3444 -24.6824 TIMING: 1117400 CPU: 3597.41, 0.0032327/step Wall: 3597.41, 0.0032327/step, 3.48647 hours remaining, 230.273438 MB of memory in use. ENERGY: 1117400 3932.2755 20555.8282 14486.3821 240.0976 -203023.1353 2559.1453 0.0000 0.0000 52221.2529 -109028.1537 300.1163 -161249.4066 -108661.6500 300.2748 -124.0500 -92.7929 762019.0192 -6.4331 -6.2943 PRESSURE: 1117600 -79.0937 -96.1553 177.055 -96.1565 64.0314 -152.767 177.055 -152.767 123.954 GPRESSURE: 1117600 -4.24813 -43.5327 123.907 -95.6628 49.8567 -234.497 126.129 -198.763 146.301 PRESSAVG: 1117600 -6.24664 -66.5769 21.2999 -66.577 12.0326 -15.6985 21.2999 -15.6984 -8.19325 GPRESSAVG: 1117600 -6.14734 -66.3363 22.043 -68.7508 11.8744 -17.1544 21.5545 -15.9734 -8.07205 TIMING: 1117600 CPU: 3598.05, 0.00320412/step Wall: 3598.05, 0.00320412/step, 3.45547 hours remaining, 230.273438 MB of memory in use. ENERGY: 1117600 3944.2583 20546.6546 14501.3225 247.1861 -202965.7431 2383.5073 0.0000 0.0000 52006.4849 -109336.3293 298.8820 -161342.8142 -108986.0310 299.9287 36.2971 63.9700 763444.3667 -0.8024 -0.7817 PRESSURE: 1117800 -155.362 -159.183 -159.008 -159.183 -191.729 3.49407 -159.009 3.49531 -519.699 GPRESSURE: 1117800 -108.309 -110.443 -155.472 -184.169 -206.976 120.019 -82.6193 16.7408 -480.671 PRESSAVG: 1117800 9.31097 -60.0829 27.0116 -60.0829 1.10045 -22.037 27.0116 -22.0369 5.75563 GPRESSAVG: 1117800 9.5232 -58.6959 25.8118 -61.1844 0.575207 -19.4776 27.7218 -21.3108 5.94205 TIMING: 1117800 CPU: 3598.7, 0.00323845/step Wall: 3598.7, 0.00323845/step, 3.49231 hours remaining, 230.273438 MB of memory in use. ENERGY: 1117800 4038.3391 20418.9176 14447.8222 252.5835 -202673.4393 2272.2574 0.0000 0.0000 51924.1753 -109319.3443 298.4089 -161243.5195 -108962.8717 299.2629 -288.9297 -265.3188 762508.5056 5.3890 5.3468 PRESSURE: 1118000 -517.397 -280.761 -154.111 -280.761 -203.349 354.918 -154.111 354.919 -299.145 GPRESSURE: 1118000 -417.04 -285.599 -108.456 -288.665 -160.978 319.488 -228.49 295.128 -379.04 PRESSAVG: 1118000 17.5388 -74.5857 -8.354 -74.5857 -25.3339 24.7845 -8.35407 24.7845 -17.9204 GPRESSAVG: 1118000 17.1299 -75.3072 -7.37942 -72.0529 -24.2405 25.4954 -9.61595 25.7262 -18.6172 TIMING: 1118000 CPU: 3599.34, 0.00321189/step Wall: 3599.34, 0.00321189/step, 3.46348 hours remaining, 230.273438 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: 1118000 3955.3163 20568.6730 14501.3513 219.7757 -203410.2465 2631.8447 0.0000 0.0000 52015.6800 -109517.6055 298.9348 -161533.2854 -109157.0372 299.1689 -339.9636 -319.0194 760896.2220 -8.5718 -8.5759 PRESSURE: 1118200 252.217 43.5746 67.1602 43.575 -81.9505 -180.477 67.1604 -180.477 49.6179 GPRESSURE: 1118200 262.567 109.935 81.4607 20.2483 -14.991 -192.924 56.3552 -92.9088 59.6332 PRESSAVG: 1118200 -7.06416 -41.5715 -19.2876 -41.5716 15.133 -5.5805 -19.2876 -5.58056 0.976336 GPRESSAVG: 1118200 -8.14268 -43.295 -20.0079 -42.2134 15.9895 -7.6522 -19.1501 -6.94202 1.43435 TIMING: 1118200 CPU: 3599.98, 0.00318487/step Wall: 3599.98, 0.00318487/step, 3.43417 hours remaining, 230.273438 MB of memory in use. ENERGY: 1118200 3888.8390 20364.3754 14542.0893 254.4114 -203120.3969 2310.5316 0.0000 0.0000 51959.8864 -109800.2637 298.6142 -161760.1501 -109444.5825 298.5062 73.2948 102.4032 760313.7797 3.0151 3.0937 PRESSURE: 1118400 -45.1366 20.1079 -84.8525 20.108 -148.208 -133.651 -84.8522 -133.651 187.827 GPRESSURE: 1118400 -23.5357 47.6636 -48.1788 -64.2771 -55.2026 -101.488 -68.3615 -88.7983 153.899 PRESSAVG: 1118400 -8.68151 -57.946 -8.4986 -57.9461 51.3949 9.30342 -8.49863 9.30351 1.33031 GPRESSAVG: 1118400 -8.215 -57.1871 -7.37992 -57.3924 49.9117 10.0823 -6.86703 10.7855 1.99975 TIMING: 1118400 CPU: 3600.62, 0.00318435/step Wall: 3600.62, 0.00318435/step, 3.43344 hours remaining, 230.273438 MB of memory in use. ENERGY: 1118400 3890.4839 20431.9263 14555.3841 254.6633 -203015.4663 2349.4036 0.0000 0.0000 51756.3052 -109777.3000 297.4442 -161533.6052 -109422.4773 297.7350 -1.8392 25.0537 760917.1869 14.6812 14.5655 PRESSURE: 1118600 -221.883 -79.6843 15.8114 -79.6853 -0.515074 -58.8134 15.8114 -58.813 -195.468 GPRESSURE: 1118600 -213.325 -96.6593 51.5976 -163.204 51.8589 -79.2353 -23.0415 -125.653 -161.568 PRESSAVG: 1118600 5.77207 -8.96923 -33.9786 -8.96924 -2.66921 7.68494 -33.9787 7.68494 -0.0750369 GPRESSAVG: 1118600 5.98169 -9.54393 -34.4563 -8.48878 -2.06075 5.71638 -35.003 8.88719 -0.805848 TIMING: 1118600 CPU: 3601.25, 0.00318998/step Wall: 3601.25, 0.00318998/step, 3.43934 hours remaining, 230.273438 MB of memory in use. ENERGY: 1118600 3942.7453 20359.1140 14487.5526 234.3039 -203044.8702 2306.1216 0.0000 0.0000 51784.5816 -109930.4513 297.6067 -161715.0328 -109561.3655 298.1250 -139.2887 -107.6781 760691.0715 1.0093 1.0384 PRESSURE: 1118800 -85.7475 24.0189 196.659 24.0191 234.212 -188.958 196.658 -188.958 292.954 GPRESSURE: 1118800 -65.3306 109.095 116.949 143.301 276.341 -166.381 112.675 -2.69893 340.941 PRESSAVG: 1118800 -42.9566 -70.7511 -45.1911 -70.7511 38.6094 8.08517 -45.1911 8.08516 5.36435 GPRESSAVG: 1118800 -43.3298 -69.2953 -46.527 -71.399 38.39 10.5695 -45.4739 6.09639 6.02448 TIMING: 1118800 CPU: 3601.89, 0.00318393/step Wall: 3601.89, 0.00318393/step, 3.43264 hours remaining, 230.273438 MB of memory in use. ENERGY: 1118800 3891.1819 20460.3803 14430.4832 249.6129 -203833.4491 2899.8890 0.0000 0.0000 51960.2147 -109941.6871 298.6161 -161901.9019 -109588.2688 298.2963 147.1394 183.9839 760889.4930 0.3390 0.3615 PRESSURE: 1119000 -200.681 -48.7219 -44.8287 -48.7215 -6.71471 -86.9459 -44.8296 -86.946 -141.339 GPRESSURE: 1119000 -192.877 -39.5231 17.1679 -175.56 48.3457 -211.637 50.2023 -148.784 -99.5938 PRESSAVG: 1119000 -66.0023 -57.1747 -3.81303 -57.1747 53.5941 11.8733 -3.813 11.8733 4.91867 GPRESSAVG: 1119000 -67.0383 -55.9979 -3.43864 -57.5862 53.8467 12.0924 -3.74694 12.8809 4.9722 TIMING: 1119000 CPU: 3602.53, 0.00318235/step Wall: 3602.53, 0.00318235/step, 3.43075 hours remaining, 230.273438 MB of memory in use. ENERGY: 1119000 3957.9711 20369.5471 14442.3512 230.4467 -203497.9036 2537.3446 0.0000 0.0000 51947.6370 -110012.6059 298.5438 -161960.2429 -109648.9911 298.7758 -116.2447 -81.3750 761442.0603 -2.4965 -2.7398 PRESSURE: 1119200 87.7319 -28.8695 46.5564 -28.8698 228.007 220.939 46.5566 220.94 367.441 GPRESSURE: 1119200 151.019 -61.1156 -3.36326 -105.13 278.774 232.89 169.958 149.805 326.97 PRESSAVG: 1119200 -25.2957 -84.8771 55.901 -84.8771 47.2834 -12.4976 55.9009 -12.4976 6.50796 GPRESSAVG: 1119200 -23.4282 -88.9373 56.9791 -83.0896 46.5008 -14.1794 55.6011 -11.2157 5.57978 TIMING: 1119200 CPU: 3603.16, 0.00315834/step Wall: 3603.16, 0.00315834/step, 3.4047 hours remaining, 230.273438 MB of memory in use. ENERGY: 1119200 3928.6542 20444.6520 14481.4453 240.4347 -203579.7958 2732.5969 0.0000 0.0000 51930.3718 -109821.6410 298.4446 -161752.0128 -109456.3562 298.5692 227.7268 252.2542 759956.2780 9.4986 9.5508 PRESSURE: 1119400 128.711 71.4103 -140.651 71.4101 -31.0581 -146.955 -140.651 -146.955 316.794 GPRESSURE: 1119400 215.77 10.9066 -178.998 58.9968 -21.5878 -108.396 -169.23 -164.18 289.347 PRESSAVG: 1119400 -32.1821 -71.1025 37.0856 -71.1024 26.0372 -61.5231 37.0856 -61.5232 16.3729 GPRESSAVG: 1119400 -32.6166 -68.3431 37 -71.5694 26.7998 -61.7136 36.2508 -62.3531 15.8014 TIMING: 1119400 CPU: 3603.79, 0.00317043/step Wall: 3603.79, 0.00317043/step, 3.41755 hours remaining, 230.273438 MB of memory in use. ENERGY: 1119400 3968.5261 20539.7237 14433.9442 243.4349 -204009.9526 2824.7299 0.0000 0.0000 51802.2091 -110197.3846 297.7080 -161999.5937 -109844.0260 298.0114 138.1490 161.1764 760934.7677 3.4093 3.3282 PRESSURE: 1119600 65.5848 46.5125 -18.0486 46.5131 -58.953 -183.248 -18.0484 -183.249 -454.854 GPRESSURE: 1119600 210.679 125.269 18.2616 30.0357 -140.519 -222.946 132.97 -150.689 -432.588 PRESSAVG: 1119600 12.618 -82.7059 -1.39894 -82.7058 -76.3298 -3.34091 -1.39888 -3.34098 -2.80857 GPRESSAVG: 1119600 12.2979 -82.6965 -2.07875 -83.5443 -75.8795 -2.45832 -0.224277 -2.76354 -2.89583 TIMING: 1119600 CPU: 3604.42, 0.00315878/step Wall: 3604.42, 0.00315878/step, 3.40482 hours remaining, 230.273438 MB of memory in use. ENERGY: 1119600 4009.9948 20420.8433 14459.9279 244.5840 -203671.6070 2688.8167 0.0000 0.0000 51632.4235 -110215.0167 296.7322 -161847.4402 -109855.4489 297.9503 -149.4075 -120.8092 759896.9401 -22.1734 -22.1592 PRESSURE: 1119800 304.775 -196.486 -1.98607 -196.486 208.078 -53.9225 -1.9871 -53.9221 432.484 GPRESSURE: 1119800 353 -186.882 -23.8716 -195.684 194.945 -13.1299 11.4977 -94.2921 491.303 PRESSAVG: 1119800 35.1472 -45.7078 -16.9635 -45.7077 -20.1599 30.3223 -16.9635 30.3222 -6.35444 GPRESSAVG: 1119800 35.1141 -44.9067 -16.2119 -45.8003 -19.7058 31.4943 -17.2398 31.0181 -6.24517 TIMING: 1119800 CPU: 3605.06, 0.00316691/step Wall: 3605.06, 0.00316691/step, 3.4134 hours remaining, 230.273438 MB of memory in use. ENERGY: 1119800 3933.2860 20445.4288 14514.2302 260.0164 -204117.1029 2965.2575 0.0000 0.0000 51662.2561 -110336.6278 296.9037 -161998.8839 -109990.1197 297.4282 315.1122 346.4162 759632.6775 2.8776 3.0544 PRESSURE: 1120000 240.687 -15.7265 36.6831 -15.7269 8.17203 -114.888 36.6832 -114.889 217.84 GPRESSURE: 1120000 206.676 -17.5651 61.7746 115.18 39.5045 -161.92 -40.7992 -37.7472 292.092 PRESSAVG: 1120000 57.3806 -110.906 -20.9951 -110.906 -70.7169 50.2441 -20.9951 50.2442 2.64679 GPRESSAVG: 1120000 57.9818 -111.755 -19.0472 -110.664 -72.1445 48.4017 -23.1752 49.698 3.5151 TIMING: 1120000 CPU: 3605.69, 0.00317652/step Wall: 3605.69, 0.00317652/step, 3.42358 hours remaining, 230.273438 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: 1120000 3919.2029 20363.9093 14448.8704 244.0779 -203708.9787 2905.4722 0.0000 0.0000 51423.6210 -110403.8249 295.5323 -161827.4459 -110041.6521 296.5932 155.5665 179.4244 760876.2941 -3.5632 -3.5492 PRESSURE: 1120200 107.478 2.75658 56.4704 2.75669 176.025 56.511 56.4696 56.5113 -129.727 GPRESSURE: 1120200 134.872 -8.6413 82.032 -88.4245 174.843 19.9513 36.3004 89.541 -55.0741 PRESSAVG: 1120200 90.0168 -62.1124 -20.0796 -62.1124 -35.0261 28.5508 -20.0796 28.5508 12.449 GPRESSAVG: 1120200 89.7381 -61.9891 -21.3916 -62.6522 -34.705 30.0472 -16.9688 28.6151 12.2356 TIMING: 1120200 CPU: 3606.32, 0.00315802/step Wall: 3606.32, 0.00315802/step, 3.40347 hours remaining, 230.273438 MB of memory in use. ENERGY: 1120200 3896.6932 20324.0303 14451.0057 258.0522 -203875.9186 2828.8195 0.0000 0.0000 51848.3945 -110268.9233 297.9734 -162117.3178 -109901.2945 297.3063 51.2587 84.8804 760219.4672 22.4799 22.4229 LDB: ============= START OF LOAD BALANCING ============== 3618.75 LDB: ============== END OF LOAD BALANCING =============== 3618.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3618.75 LDB: ============= START OF LOAD BALANCING ============== 3619.07 LDB: Largest compute 7034 load 0.035962 is 18.4% of average load 0.195480 LDB: Average compute 0.004409 is 2.3% of average load 0.195480 LDB: TIME 3619.07 LOAD: AVG 0.19548 MAX 0.215001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.848 MB LDB: TIME 3619.07 LOAD: AVG 0.19548 MAX 0.215001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.055 MB LDB: TIME 3619.07 LOAD: AVG 0.19548 MAX 0.215001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.055 MB LDB: ============== END OF LOAD BALANCING =============== 3619.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3619.08 PRESSURE: 1120400 456.238 -160.711 3.70457 -160.711 -32.7917 28.1712 3.70557 28.1715 -118.566 GPRESSURE: 1120400 317.089 -210.649 6.48457 -183.715 77.5287 139.698 -169.45 20.8823 -7.20203 PRESSAVG: 1120400 47.9649 -98.8153 -58.4857 -98.8152 -21.1907 -19.5554 -58.4856 -19.5555 -2.23038 GPRESSAVG: 1120400 47.4422 -97.4904 -58.2077 -97.9734 -20.37 -20.1173 -60.3341 -19.236 -2.15276 TIMING: 1120400 CPU: 3606.98, 0.00325301/step Wall: 3606.98, 0.00325301/step, 3.50566 hours remaining, 231.484375 MB of memory in use. ENERGY: 1120400 3962.0699 20416.9708 14567.4005 247.7615 -204000.1110 2807.7551 0.0000 0.0000 51793.0492 -110205.1039 297.6554 -161998.1530 -109849.5149 297.9130 101.6267 129.1387 758878.3620 8.1813 8.3065 PRESSURE: 1120600 -213.48 -268.61 8.65833 -268.61 -250.818 -55.0694 8.6577 -55.0691 -440.247 GPRESSURE: 1120600 -137.791 -109.761 -37.7373 -283.233 -278.361 -73.8918 -38.6784 38.814 -414.34 PRESSAVG: 1120600 6.77686 -62.3812 -3.96086 -62.3812 -11.8558 2.6426 -3.96085 2.64266 9.7703 GPRESSAVG: 1120600 7.33276 -63.7865 -3.77461 -62.4752 -12.3446 2.04378 -4.12876 3.03189 9.86344 TIMING: 1120600 CPU: 3607.61, 0.00319396/step Wall: 3607.61, 0.00319396/step, 3.44185 hours remaining, 231.535156 MB of memory in use. ENERGY: 1120600 3992.0607 20518.8430 14542.4028 244.5546 -203825.2568 2593.4168 0.0000 0.0000 51885.6772 -110048.3017 298.1877 -161933.9789 -109682.3694 298.2793 -301.5150 -276.8305 760180.6605 1.5638 1.6172 PRESSURE: 1120800 244.373 -85.8653 -69.5036 -85.8648 -200.075 -33.7335 -69.5037 -33.7337 -17.3718 GPRESSURE: 1120800 228.039 -184.976 -35.8199 -62.1855 -41.45 -5.74277 -107.673 -233.607 -90.6711 PRESSAVG: 1120800 16.6602 -42.8467 35.6615 -42.8467 24.4279 44.7463 35.6615 44.7463 -5.06285 GPRESSAVG: 1120800 15.6025 -41.2798 34.1534 -42.7533 25.6194 44.4117 36.6467 43.6148 -4.85363 TIMING: 1120800 CPU: 3608.25, 0.00320045/step Wall: 3608.25, 0.00320045/step, 3.44867 hours remaining, 231.535156 MB of memory in use. ENERGY: 1120800 3898.2720 20652.6567 14492.7850 224.4426 -203752.8735 2294.5512 0.0000 0.0000 52137.1366 -110053.0295 299.6328 -162190.1661 -109682.9385 298.8883 8.9754 31.9725 760071.8882 12.0084 12.1228 PRESSURE: 1121000 327.783 -111.735 93.69 -111.734 5.60034 -27.6996 93.6894 -27.699 -40.501 GPRESSURE: 1121000 403.212 -150.304 108.3 -100.86 -73.7207 60.4698 122.22 -2.22625 27.9988 PRESSAVG: 1121000 59.6486 -48.9919 -58.1603 -48.992 -12.3494 9.58344 -58.1604 9.58348 -5.19637 GPRESSAVG: 1121000 60.179 -51.5156 -56.0723 -47.8985 -14.2668 9.71428 -59.726 11.0788 -4.40543 TIMING: 1121000 CPU: 3608.89, 0.00318034/step Wall: 3608.89, 0.00318034/step, 3.42681 hours remaining, 231.535156 MB of memory in use. ENERGY: 1121000 3985.3444 20530.1910 14508.0802 235.6343 -203633.6624 2567.2661 0.0000 0.0000 51920.5079 -109886.6386 298.3879 -161807.1465 -109531.7740 298.4433 97.6275 119.1633 759177.0735 14.0343 13.8356 PRESSURE: 1121200 222.729 -214.727 39.7152 -214.727 83.5402 21.2655 39.7143 21.2652 278.727 GPRESSURE: 1121200 209.652 -221.515 2.27628 -73.8985 154.928 7.99893 0.725386 25.0808 310.423 PRESSAVG: 1121200 30.9352 -61.3065 21.5019 -61.3065 -50.0897 52.4355 21.502 52.4354 10.927 GPRESSAVG: 1121200 31.9567 -59.7787 21.494 -62.8271 -49.3405 52.7829 21.3789 51.1792 9.70375 TIMING: 1121200 CPU: 3609.53, 0.00318724/step Wall: 3609.53, 0.00318724/step, 3.43407 hours remaining, 231.535156 MB of memory in use. ENERGY: 1121200 3865.4089 20565.8463 14518.9282 257.8717 -203733.2271 2596.9633 0.0000 0.0000 52089.4371 -109838.7718 299.3587 -161928.2088 -109475.4851 297.9565 194.9986 225.0012 758985.4139 -2.7425 -2.5600 PRESSURE: 1121400 -157.641 14.5622 -42.7009 14.5624 51.4908 27.4212 -42.7016 27.4214 -45.0587 GPRESSURE: 1121400 -184.163 29.7136 -93.9699 -55.7909 112.829 -79.1515 61.7816 66.4577 -6.43135 PRESSAVG: 1121400 2.4712 -45.4097 43.3232 -45.4097 1.52743 37.6624 43.3233 37.6625 -15.1435 GPRESSAVG: 1121400 1.21401 -44.9056 42.1066 -43.3462 1.46819 36.8794 45.5739 37.7794 -13.9437 TIMING: 1121400 CPU: 3610.16, 0.00315795/step Wall: 3610.16, 0.00315795/step, 3.40234 hours remaining, 231.535156 MB of memory in use. ENERGY: 1121400 3933.8943 20436.0321 14478.4925 235.8570 -203860.1233 2789.0221 0.0000 0.0000 51896.5884 -110090.2371 298.2504 -161986.8254 -109734.3672 298.7341 -50.4029 -25.9219 760934.4789 -3.7150 -3.7538 PRESSURE: 1121600 -249.815 -25.2459 92.4039 -25.2462 -255.677 -87.6825 92.4038 -87.6829 -172.767 GPRESSURE: 1121600 -178.174 -162.757 17.3283 36.3916 -289.138 17.9892 82.0279 -10.465 -116.026 PRESSAVG: 1121600 -27.8854 -28.3105 37.4121 -28.3105 27.5452 37.1365 37.4121 37.1366 9.86824 GPRESSAVG: 1121600 -26.4747 -29.6188 39.1844 -29.9795 27.1781 37.9953 36.4589 36.2109 9.32721 TIMING: 1121600 CPU: 3610.79, 0.00316196/step Wall: 3610.79, 0.00316196/step, 3.40649 hours remaining, 231.535156 MB of memory in use. ENERGY: 1121600 3986.1630 20337.3376 14537.7266 253.6035 -203591.1984 2602.7558 0.0000 0.0000 51958.8045 -109914.8074 298.6080 -161873.6119 -109561.2368 298.0913 -226.0862 -194.4459 760128.1351 3.1760 3.3436 PRESSURE: 1121800 -104.039 -6.17691 154.72 -6.17713 44.4452 212.067 154.72 212.069 -202.581 GPRESSURE: 1121800 -19.8116 -51.3792 115.384 -72.2096 42.0316 248.388 131.358 113.624 -199.702 PRESSAVG: 1121800 -21.5457 -23.321 -22.8245 -23.321 27.047 34.8091 -22.8245 34.8091 -3.45114 GPRESSAVG: 1121800 -22.1111 -21.2688 -23.3888 -23.7167 27.4548 33.5124 -22.6868 37.3167 -2.81268 TIMING: 1121800 CPU: 3611.42, 0.00315549/step Wall: 3611.42, 0.00315549/step, 3.39934 hours remaining, 231.535156 MB of memory in use. ENERGY: 1121800 3980.4157 20471.3172 14500.1712 260.1924 -203801.3053 2844.1544 0.0000 0.0000 52066.1681 -109678.8862 299.2250 -161745.0543 -109320.2433 298.7421 -87.3913 -59.1606 761289.4120 0.6834 0.8437 PRESSURE: 1122000 157.773 -32.3837 285.814 -32.3832 11.8003 32.7097 285.814 32.7107 288.395 GPRESSURE: 1122000 96.7786 113.896 260.357 -68.4186 166.006 -51.561 155.126 139.933 281.635 PRESSAVG: 1122000 -22.5601 -7.09397 -39.6466 -7.09398 5.11958 98.7401 -39.6467 98.7401 -20.2591 GPRESSAVG: 1122000 -23.0494 -9.38209 -40.724 -6.98174 6.53615 99.4869 -40.0008 98.7288 -20.9922 TIMING: 1122000 CPU: 3612.05, 0.00315067/step Wall: 3612.05, 0.00315067/step, 3.39397 hours remaining, 231.660156 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: 1122000 3972.0879 20462.6076 14560.8758 242.3109 -203618.6740 2879.4855 0.0000 0.0000 51736.5934 -109764.7128 297.3309 -161501.3062 -109407.9204 298.2482 152.6561 181.4732 760799.4404 -12.5665 -12.5018 PRESSURE: 1122200 -30.0768 63.078 -239.802 63.0778 60.3942 1.75394 -239.802 1.75315 138.598 GPRESSURE: 1122200 64.7613 -55.2806 -254.258 62.5449 75.478 33.5443 -205.067 30.8473 116.664 PRESSAVG: 1122200 13.9302 -33.1466 -19.2824 -33.1465 -15.6318 55.5338 -19.2824 55.5338 18.3538 GPRESSAVG: 1122200 13.9785 -33.3981 -18.119 -32.6432 -15.3345 57.0817 -19.5459 53.8525 18.1467 TIMING: 1122200 CPU: 3612.69, 0.00318403/step Wall: 3612.69, 0.00318403/step, 3.42974 hours remaining, 231.660156 MB of memory in use. ENERGY: 1122200 3986.7513 20515.2844 14546.3519 233.3033 -203785.3482 2947.8596 0.0000 0.0000 51929.9901 -109625.8077 298.4424 -161555.7978 -109270.0941 298.8674 56.3051 85.6344 760032.3414 5.5507 5.5969 PRESSURE: 1122400 439.073 -106.724 89.3593 -106.724 313.086 -145.445 89.3597 -145.447 -275.527 GPRESSURE: 1122400 427.264 -71.1688 57.5952 -132.239 309.112 -150.428 160.438 -262.712 -168.54 PRESSAVG: 1122400 -16.7796 -69.0327 18.9507 -69.0327 49.3962 -9.68256 18.9507 -9.6826 -11.114 GPRESSAVG: 1122400 -15.7616 -68.3009 20.0771 -68.9929 47.9853 -10.1725 18.7947 -9.65546 -10.809 TIMING: 1122400 CPU: 3613.33, 0.00321515/step Wall: 3613.33, 0.00321515/step, 3.46307 hours remaining, 231.660156 MB of memory in use. ENERGY: 1122400 3971.6893 20318.8525 14520.3729 237.6693 -203546.2304 2782.5705 0.0000 0.0000 52038.6396 -109676.4362 299.0668 -161715.0758 -109297.1697 298.7460 158.8772 189.2787 759716.0480 7.1675 7.1382 PRESSURE: 1122600 18.7578 4.88714 -37.3318 4.88695 -280.234 50.9614 -37.3313 50.9621 17.5024 GPRESSURE: 1122600 16.7479 65.3105 -9.1495 -33.1503 -139.801 -17.9287 21.9514 72.051 -21.1999 PRESSAVG: 1122600 23.2212 -54.9968 57.3066 -54.9969 5.83447 71.4472 57.3066 71.4473 -10.4221 GPRESSAVG: 1122600 22.4697 -53.4949 54.8378 -55.6334 7.67966 70.49 58.6175 71.1881 -10.6264 TIMING: 1122600 CPU: 3613.97, 0.00316369/step Wall: 3613.97, 0.00316369/step, 3.40748 hours remaining, 231.660156 MB of memory in use. ENERGY: 1122600 3971.9691 20454.8542 14501.3300 234.4648 -203256.7304 2572.7242 0.0000 0.0000 51873.8468 -109647.5413 298.1197 -161521.3881 -109280.9277 298.9217 -81.3246 -48.0842 760776.2121 6.2112 6.5076 PRESSURE: 1122800 255.488 -133.452 -119.568 -133.452 281.057 -63.7 -119.568 -63.6985 185.522 GPRESSURE: 1122800 366.044 -194.228 -193.12 -116.543 253.993 -21.7426 -34.0138 -99.9053 187.162 PRESSAVG: 1122800 75.8237 -29.8379 1.44944 -29.8379 -15.6496 13.5381 1.44943 13.5381 -0.599198 GPRESSAVG: 1122800 75.8075 -29.8328 3.33311 -28.6638 -15.7618 14.4351 1.16297 12.599 -0.721081 TIMING: 1122800 CPU: 3614.6, 0.00317504/step Wall: 3614.6, 0.00317505/step, 3.41952 hours remaining, 231.660156 MB of memory in use. ENERGY: 1122800 3972.5115 20347.2608 14546.3517 258.2027 -203658.3473 2599.1880 0.0000 0.0000 52164.1854 -109770.6470 299.7883 -161934.8324 -109407.7666 298.8702 240.6890 269.0662 759453.6314 19.8583 19.7749 PRESSURE: 1123000 133.821 -119.075 -39.4925 -119.075 -63.7322 81.9986 -39.4922 81.9979 383.724 GPRESSURE: 1123000 190.043 -74.6104 -16.2346 -96.6162 -55.2558 40.2441 -48.7511 143.483 401.345 PRESSAVG: 1123000 44.3895 -67.9512 -19.1051 -67.9512 -22.6819 43.838 -19.1052 43.838 26.9663 GPRESSAVG: 1123000 45.7769 -69.0164 -19.7731 -67.8745 -24.4458 42.6387 -18.6641 46.1997 26.9789 TIMING: 1123000 CPU: 3615.24, 0.00317947/step Wall: 3615.24, 0.00317947/step, 3.42411 hours remaining, 231.660156 MB of memory in use. ENERGY: 1123000 3978.7258 20523.8156 14468.3150 243.1512 -203613.1694 2743.3737 0.0000 0.0000 51857.3761 -109798.4121 298.0251 -161655.7881 -109447.2628 298.5302 151.2710 178.7105 759870.1569 16.2246 16.1033 PRESSURE: 1123200 -443.651 -58.3608 208.364 -58.3606 167.334 -7.62512 208.364 -7.62622 -14.7318 GPRESSURE: 1123200 -364.02 -175.093 216.497 -32.2286 107.636 81.9464 74.7657 15.1698 51.5947 PRESSAVG: 1123200 -12.3594 -68.8286 19.5148 -68.8287 16.3608 34.8303 19.5148 34.8303 -5.51466 GPRESSAVG: 1123200 -13.5249 -69.5024 17.711 -68.6187 15.5984 36.8109 20.1811 34.9235 -3.74832 TIMING: 1123200 CPU: 3615.87, 0.00318504/step Wall: 3615.87, 0.00318504/step, 3.42994 hours remaining, 231.660156 MB of memory in use. ENERGY: 1123200 3958.5012 20536.4423 14464.7850 241.1528 -203338.3391 2382.3094 0.0000 0.0000 51987.8446 -109767.3037 298.7749 -161755.1483 -109407.4460 298.7419 -97.0162 -68.2632 758586.9475 -0.5044 -0.5583 PRESSURE: 1123400 124.182 169.59 -116.922 169.59 -256.237 -52.6716 -116.922 -52.6722 -234.314 GPRESSURE: 1123400 181.285 66.9599 -97.9548 123.211 -143.917 -109.399 -60.1191 -145.049 -308.738 PRESSAVG: 1123400 88.6859 -84.701 26.1404 -84.701 -82.3605 61.0235 26.1404 61.0235 15.1915 GPRESSAVG: 1123400 87.881 -84.9866 27.9447 -85.8923 -80.0237 60.9749 23.4878 59.2963 13.5182 TIMING: 1123400 CPU: 3616.51, 0.00316233/step Wall: 3616.51, 0.00316233/step, 3.4053 hours remaining, 231.660156 MB of memory in use. ENERGY: 1123400 3985.8685 20491.8655 14499.5319 246.4191 -203437.9581 2431.5482 0.0000 0.0000 52057.7422 -109724.9828 299.1766 -161782.7249 -109362.6651 299.0913 -122.1229 -90.4570 760652.2650 7.1723 7.1252 PRESSURE: 1123600 275.626 -216.631 -18.8593 -216.63 -19.8369 -45.8553 -18.8592 -45.8544 -366.894 GPRESSURE: 1123600 234.179 -176.62 -25.823 -325.386 103.147 -24.7628 -95.6593 86.2977 -351.804 PRESSAVG: 1123600 32.8869 -94.1981 -2.3508 -94.1981 -36.5936 -0.937189 -2.35074 -0.937236 -2.21552 GPRESSAVG: 1123600 36.0962 -92.1862 -2.48298 -95.1654 -37.8333 -0.533611 0.690269 1.59279 -3.3725 TIMING: 1123600 CPU: 3617.14, 0.00315992/step Wall: 3617.14, 0.00315992/step, 3.40253 hours remaining, 231.660156 MB of memory in use. ENERGY: 1123600 3977.3214 20344.0374 14548.5002 255.5325 -203353.3184 2644.7045 0.0000 0.0000 52015.0457 -109568.1766 298.9312 -161583.2223 -109206.6978 299.1350 -37.0349 -4.8260 761593.9849 -1.9741 -1.7032 PRESSURE: 1123800 -459.077 74.0989 -3.67872 74.0983 -464.009 25.6404 -3.67808 25.6419 138.247 GPRESSURE: 1123800 -343.324 46.3903 51.7579 166.528 -415.342 58.3553 -175.442 -32.6749 41.5246 PRESSAVG: 1123800 57.3388 -42.3273 -0.509267 -42.3273 -47.9576 2.6466 -0.509229 2.64664 10.8495 GPRESSAVG: 1123800 55.6197 -46.2491 0.362083 -40.7897 -47.2154 2.39499 -2.15473 1.45426 11.2545 TIMING: 1123800 CPU: 3617.77, 0.00317066/step Wall: 3617.77, 0.00317066/step, 3.41392 hours remaining, 231.660156 MB of memory in use. ENERGY: 1123800 4066.3261 20381.5476 14457.1458 240.8111 -203091.4404 2412.5617 0.0000 0.0000 51943.4833 -109589.5649 298.5199 -161533.0482 -109221.7623 298.9538 -261.6129 -239.0470 762031.9155 6.7436 6.5529 PRESSURE: 1124000 -56.8691 -179.326 210.139 -179.326 -34.869 74.5208 210.139 74.5204 -121.561 GPRESSURE: 1124000 82.4015 6.69311 231.517 -142.471 -7.4049 8.2738 78.4469 163.776 -195.657 PRESSAVG: 1124000 20.0545 -49.2742 21.9902 -49.2742 35.6933 -25.5448 21.9901 -25.5448 -21.3252 GPRESSAVG: 1124000 20.2801 -46.397 20.9617 -48.2525 35.7798 -25.5008 22.4108 -26.4456 -21.1938 TIMING: 1124000 CPU: 3618.41, 0.00316824/step Wall: 3618.41, 0.00316824/step, 3.41114 hours remaining, 231.660156 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: 1124000 4039.9155 20477.3124 14433.4759 249.1651 -203495.9893 2524.8543 0.0000 0.0000 52045.1348 -109726.1313 299.1041 -161771.2660 -109377.5270 299.4629 -71.0998 -40.2202 760108.9417 11.4742 11.6220 PRESSURE: 1124200 60.3545 -141.521 -129.296 -141.522 69.6612 -87.6979 -129.297 -87.6975 -660.158 GPRESSURE: 1124200 68.5769 -176.321 -66.299 -178.19 65.572 -35.0546 -110.576 -121.072 -592.563 PRESSAVG: 1124200 -22.0916 -60.6972 -2.5698 -60.6972 45.669 5.23458 -2.56983 5.23459 11.3881 GPRESSAVG: 1124200 -22.6511 -60.4011 -2.61541 -62.0169 45.459 4.00609 -2.38681 6.70993 12.5046 TIMING: 1124200 CPU: 3619.04, 0.00317634/step Wall: 3619.04, 0.00317634/step, 3.41969 hours remaining, 231.660156 MB of memory in use. ENERGY: 1124200 3947.8448 20673.8458 14467.5176 243.3779 -203760.5075 2687.7244 0.0000 0.0000 51944.7837 -109795.4133 298.5274 -161740.1970 -109430.8156 299.2048 -176.7141 -152.8046 760026.8909 11.6552 11.7708 LDB: ============= START OF LOAD BALANCING ============== 3631.47 LDB: ============== END OF LOAD BALANCING =============== 3631.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3631.47 LDB: ============= START OF LOAD BALANCING ============== 3631.79 LDB: Largest compute 7033 load 0.035004 is 17.9% of average load 0.195509 LDB: Average compute 0.004388 is 2.2% of average load 0.195509 LDB: TIME 3631.79 LOAD: AVG 0.195509 MAX 0.215735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.82 MB LDB: TIME 3631.79 LOAD: AVG 0.195509 MAX 0.215735 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.934 MB LDB: TIME 3631.79 LOAD: AVG 0.195509 MAX 0.215735 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.934 MB LDB: ============== END OF LOAD BALANCING =============== 3631.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3631.8 PRESSURE: 1124400 231.438 -47.746 32.1694 -47.746 -342.66 -196.616 32.1691 -196.616 170.256 GPRESSURE: 1124400 225.735 41.2081 57.6311 -39.2826 -275.313 -268.933 13.1314 -183.082 194.513 PRESSAVG: 1124400 -58.4431 -81.448 -41.4344 -81.448 51.0228 4.91929 -41.4343 4.91922 9.6827 GPRESSAVG: 1124400 -58.6116 -82.1189 -40.416 -81.4289 52.3144 3.71034 -42.5504 3.39924 8.72951 TIMING: 1124400 CPU: 3619.69, 0.0032507/step Wall: 3619.69, 0.0032507/step, 3.49955 hours remaining, 231.589844 MB of memory in use. ENERGY: 1124400 3981.1737 20561.0396 14452.8763 257.2144 -203241.9203 2475.3486 0.0000 0.0000 51946.7549 -109567.5128 298.5387 -161514.2677 -109213.2825 298.8167 19.6780 48.3118 762042.0009 0.7541 0.8108 PRESSURE: 1124600 -33.3978 -192.877 134.249 -192.877 70.0642 -176.771 134.249 -176.771 101.333 GPRESSURE: 1124600 58.5818 -160.611 139.595 -204.857 163.738 -122.83 185.517 -274.911 3.00928 PRESSAVG: 1124600 -5.43573 -58.9869 46.2218 -58.9869 -24.2116 -31.9436 46.2218 -31.9436 11.4542 GPRESSAVG: 1124600 -5.07672 -59.0412 45.1109 -59.0248 -25.36 -30.048 45.4882 -31.0312 12.128 TIMING: 1124600 CPU: 3620.33, 0.00319028/step Wall: 3620.33, 0.00319028/step, 3.43434 hours remaining, 231.789062 MB of memory in use. ENERGY: 1124600 4013.0200 20601.5532 14453.9009 237.2112 -203351.0595 2480.5677 0.0000 0.0000 52117.4155 -109447.3912 299.5195 -161564.8066 -109084.0483 299.3993 45.9999 75.1097 761613.5070 -6.0644 -6.1029 PRESSURE: 1124800 124.368 -174.289 -107.063 -174.289 227.639 173.578 -107.063 173.578 19.3506 GPRESSURE: 1124800 91.7509 -193.956 -108.792 -298.074 243.553 192.586 -64.0513 142.177 101.613 PRESSAVG: 1124800 -53.4348 -92.3734 41.3746 -92.3734 52.1783 -59.3667 41.3746 -59.3667 7.15191 GPRESSAVG: 1124800 -51.3789 -92.2034 41.5895 -92.6095 52.3492 -60.176 42.2808 -58.0725 5.76495 TIMING: 1124800 CPU: 3620.96, 0.00316183/step Wall: 3620.96, 0.00316183/step, 3.40354 hours remaining, 231.789062 MB of memory in use. ENERGY: 1124800 3935.7752 20523.3526 14514.9268 220.9887 -203539.8864 2681.8471 0.0000 0.0000 52148.0481 -109514.9479 299.6955 -161662.9960 -109155.0533 299.3143 123.7856 145.6390 761889.4322 1.9651 2.2451 PRESSURE: 1125000 -33.5062 -279.41 -291.286 -279.41 -296.822 -20.7678 -291.286 -20.7676 159.749 GPRESSURE: 1125000 -29.016 -244.797 -338.715 -179.078 -181.242 -44.0754 -290.14 -64.3646 106.891 PRESSAVG: 1125000 -23.0847 -46.2962 -34.9399 -46.2962 14.4474 -63.5861 -34.9399 -63.5861 3.96892 GPRESSAVG: 1125000 -24.5401 -46.214 -34.7363 -46.0766 14.1631 -63.2086 -34.5041 -64.6319 5.39892 TIMING: 1125000 CPU: 3621.6, 0.00318156/step Wall: 3621.6, 0.00318156/step, 3.4246 hours remaining, 231.789062 MB of memory in use. ENERGY: 1125000 4026.8052 20657.4905 14499.4834 245.2651 -203307.3585 2534.9426 0.0000 0.0000 51889.4026 -109453.9690 298.2091 -161343.3716 -109105.8285 299.0631 -56.8597 -34.4556 762352.3579 -1.5561 -1.6593 PRESSURE: 1125200 159.082 -250.937 45.5494 -250.937 201.831 -13.4605 45.5498 -13.4591 -75.6726 GPRESSURE: 1125200 218.007 -207.634 5.15694 -235.746 227.745 -0.477849 8.29879 -35.7214 -86.2561 PRESSAVG: 1125200 -30.7015 -63.5073 -41.8835 -63.5072 4.22495 -32.6433 -41.8835 -32.6433 11.6717 GPRESSAVG: 1125200 -31.226 -63.3999 -41.5613 -65.5542 4.53609 -31.62 -40.6611 -34.2376 12.4947 TIMING: 1125200 CPU: 3622.23, 0.00315846/step Wall: 3622.23, 0.00315846/step, 3.39955 hours remaining, 231.789062 MB of memory in use. ENERGY: 1125200 4050.1475 20564.5624 14533.2244 257.2792 -203993.2616 2874.5428 0.0000 0.0000 52133.5350 -109579.9704 299.6121 -161713.5054 -109216.6760 299.4125 95.0801 119.8318 760628.2482 -4.9350 -4.7317 PRESSURE: 1125400 -267.154 105.125 231.949 105.125 72.0905 -141.515 231.948 -141.515 218.805 GPRESSURE: 1125400 -265.881 135.624 196.964 58.6392 118.293 22.8611 93.438 -148.235 241.608 PRESSAVG: 1125400 -19.9931 7.70689 -41.4565 7.7069 87.0788 -14.927 -41.4566 -14.927 12.4175 GPRESSAVG: 1125400 -20.4325 5.63965 -42.1027 10.2061 86.9911 -14.2529 -45.1358 -13.8711 13.0653 TIMING: 1125400 CPU: 3622.86, 0.00317332/step Wall: 3622.86, 0.00317332/step, 3.41537 hours remaining, 231.789062 MB of memory in use. ENERGY: 1125400 4004.1549 20535.8854 14507.6758 266.0654 -203545.7631 2540.0282 0.0000 0.0000 51939.8516 -109752.1018 298.4990 -161691.9534 -109393.2791 299.0173 7.9137 31.3403 760190.3280 26.5011 26.5413 PRESSURE: 1125600 38.613 149.118 -118.911 149.118 -162.809 266.599 -118.91 266.6 224.348 GPRESSURE: 1125600 57.6133 228.483 18.224 79.671 -140.447 310.39 -88.0621 209.41 261.627 PRESSAVG: 1125600 6.80533 -39.901 -34.6441 -39.9009 23.1295 -19.2518 -34.6442 -19.2518 -3.23955 GPRESSAVG: 1125600 7.49007 -36.8999 -36.2585 -40.6387 23.7882 -20.3245 -30.9401 -17.1347 -4.43862 TIMING: 1125600 CPU: 3623.5, 0.00316207/step Wall: 3623.5, 0.00316208/step, 3.4031 hours remaining, 231.789062 MB of memory in use. ENERGY: 1125600 4002.3058 20217.4614 14449.8304 248.7818 -203755.8207 2857.1616 0.0000 0.0000 52310.8097 -109669.4700 300.6309 -161980.2797 -109310.4470 299.2670 33.3840 59.5977 759383.8444 8.8984 8.9466 PRESSURE: 1125800 110.341 146.204 -116.973 146.203 -238.219 108.039 -116.973 108.039 -78.4415 GPRESSURE: 1125800 159.229 92.4598 -128.169 102.199 -208.534 116.136 -135.849 49.9304 -72.2526 PRESSAVG: 1125800 15.8085 25.5083 -50.7693 25.5084 -13.5753 1.26559 -50.7693 1.26556 -7.62717 GPRESSAVG: 1125800 16.277 25.8381 -49.3232 24.4163 -15.5271 1.06376 -49.7123 2.13369 -6.23922 TIMING: 1125800 CPU: 3624.13, 0.00316216/step Wall: 3624.13, 0.00316216/step, 3.40301 hours remaining, 231.789062 MB of memory in use. ENERGY: 1125800 4030.7288 20525.6582 14397.0798 236.5219 -203505.8504 2650.3912 0.0000 0.0000 51844.2926 -109821.1779 297.9499 -161665.4705 -109452.6193 299.4258 -68.7733 -40.5191 759740.6956 -1.7980 -1.8298 PRESSURE: 1126000 208.852 -189.214 96.4551 -189.215 220.903 22.0688 96.455 22.0682 260.651 GPRESSURE: 1126000 211.087 -115.124 219.474 -166.391 209.381 82.4602 -91.1614 -17.3745 346.719 PRESSAVG: 1126000 -58.0959 -33.7332 -33.1175 -33.7332 10.4418 -28.9394 -33.1175 -28.9394 -10.1964 GPRESSAVG: 1126000 -59.4652 -33.8178 -32.2978 -33.771 11.706 -28.5803 -34.5143 -32.268 -9.99733 TIMING: 1126000 CPU: 3624.76, 0.00313022/step Wall: 3624.76, 0.00313022/step, 3.36847 hours remaining, 231.789062 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: 1126000 3940.8713 20356.3661 14501.2186 247.1827 -203535.3345 2662.9591 0.0000 0.0000 52189.5032 -109637.2334 299.9338 -161826.7366 -109268.3107 298.5629 230.1354 255.7290 759974.1831 -19.2835 -19.2522 PRESSURE: 1126200 -200.691 175.429 59.066 175.431 216.122 -71.8098 59.0655 -71.8092 51.4794 GPRESSURE: 1126200 -174.231 248.695 90.6804 228.623 227.73 -34.1648 -20.5567 -110.122 99.7119 PRESSAVG: 1126200 -9.52208 11.323 46.6172 11.323 25.6915 17.0629 46.6171 17.0631 24.396 GPRESSAVG: 1126200 -9.10384 11.5762 46.9168 10.5553 25.4429 17.0059 45.202 17.0676 23.6922 TIMING: 1126200 CPU: 3625.38, 0.00314942/step Wall: 3625.38, 0.00314942/step, 3.38895 hours remaining, 231.789062 MB of memory in use. ENERGY: 1126200 4028.6030 20467.8154 14441.9061 246.3122 -203357.7621 2410.9755 0.0000 0.0000 51914.5540 -109847.5960 298.3537 -161762.1500 -109479.7278 298.8288 22.3035 51.0704 758885.0031 13.5218 13.3438 PRESSURE: 1126400 -5.04244 14.3968 28.9959 14.397 46.1639 -69.7712 28.997 -69.7711 -100.642 GPRESSURE: 1126400 87.5393 26.754 91.6992 -4.48354 14.2048 -55.4227 -9.553 -108.794 -87.109 PRESSAVG: 1126400 -7.93559 -0.0318559 59.7293 -0.0318344 49.0779 58.0179 59.7293 58.0179 20.5314 GPRESSAVG: 1126400 -7.44729 -1.48197 60.2451 3.27926 48.9559 56.9107 61.5649 58.5224 20.3144 TIMING: 1126400 CPU: 3626.02, 0.00318812/step Wall: 3626.02, 0.00318812/step, 3.43042 hours remaining, 231.789062 MB of memory in use. ENERGY: 1126400 3960.2964 20560.7948 14430.0438 250.2657 -203405.7387 2465.0828 0.0000 0.0000 51894.0669 -109845.1884 298.2359 -161739.2553 -109487.5214 298.6035 -19.8402 4.8784 758836.5991 20.5579 20.6077 PRESSURE: 1126600 151.344 121.967 144.73 121.967 81.902 18.1893 144.73 18.1893 21.9115 GPRESSURE: 1126600 169.612 96.2239 183.024 142.607 97.1709 -12.1449 243.855 90.8275 68.9844 PRESSAVG: 1126600 -44.4951 -9.75338 -5.05516 -9.75344 67.4136 2.254 -5.05515 2.25407 -4.21605 GPRESSAVG: 1126600 -44.3061 -10.9853 -6.11838 -11.2612 66.4294 3.40261 -4.76388 0.708365 -2.84746 TIMING: 1126600 CPU: 3626.66, 0.00317056/step Wall: 3626.66, 0.00317056/step, 3.41135 hours remaining, 231.789062 MB of memory in use. ENERGY: 1126600 3862.3828 20346.0787 14455.8827 236.4293 -203320.8387 2653.6230 0.0000 0.0000 51997.2427 -109769.1994 298.8289 -161766.4421 -109403.2643 298.6498 85.0527 111.9223 761828.7529 6.2342 6.4253 PRESSURE: 1126800 -222.921 -104.626 -99.9243 -104.627 -31.9597 66.1217 -99.9239 66.122 135.415 GPRESSURE: 1126800 -230.301 -93.1583 -96.0668 -89.7231 99.2157 67.2163 -38.9494 153.829 106.119 PRESSAVG: 1126800 -17.8493 -20.0141 -37.1979 -20.0141 25.5242 -15.5928 -37.1979 -15.5928 21.566 GPRESSAVG: 1126800 -17.4751 -20.2058 -38.0786 -18.4415 26.4056 -18.063 -36.9469 -12.7082 20.4924 TIMING: 1126800 CPU: 3627.3, 0.00320276/step Wall: 3627.3, 0.00320276/step, 3.44581 hours remaining, 231.789062 MB of memory in use. ENERGY: 1126800 4008.8627 20371.6374 14406.5896 237.3226 -203641.3806 2748.5902 0.0000 0.0000 52139.5553 -109728.8227 299.6467 -161868.3780 -109368.9208 298.3457 -39.8216 -8.3221 760037.4272 9.7470 9.8076 PRESSURE: 1127000 -193.046 186.946 -49.0743 186.946 -75.0188 -94.206 -49.0742 -94.2066 -44.4315 GPRESSURE: 1127000 -189.811 71.8772 -55.7221 112.842 -92.0909 -81.7737 -102.355 -136.681 52.1514 PRESSAVG: 1127000 -17.6978 44.7277 -38.5165 44.7277 32.9917 -19.9181 -38.5165 -19.9181 -0.946517 GPRESSAVG: 1127000 -17.9761 44.0369 -37.6493 43.8488 33.2996 -19.328 -40.3968 -21.876 -0.870796 TIMING: 1127000 CPU: 3627.94, 0.0032022/step Wall: 3627.94, 0.0032022/step, 3.44504 hours remaining, 231.789062 MB of memory in use. ENERGY: 1127000 3992.3445 20354.4009 14456.4161 227.5911 -203595.3968 2649.0249 0.0000 0.0000 52166.1174 -109749.5020 299.7994 -161915.6194 -109391.0041 299.3532 -104.1655 -76.5834 760454.8922 4.7825 4.8176 PRESSURE: 1127200 -63.8583 48.147 -46.1354 48.1471 -32.1612 -169.866 -46.1355 -169.866 453.873 GPRESSURE: 1127200 -29.8326 9.1024 -74.8294 146.494 12.9285 -120.199 -61.3746 -149.675 460.64 PRESSAVG: 1127200 20.5308 30.3295 -8.75182 30.3295 -31.0517 -43.4563 -8.75185 -43.4563 -2.33729 GPRESSAVG: 1127200 19.7902 32.2226 -8.40807 31.1477 -30.6329 -41.4757 -10.7151 -42.7104 -1.97634 TIMING: 1127200 CPU: 3628.58, 0.00321589/step Wall: 3628.58, 0.00321589/step, 3.45959 hours remaining, 231.789062 MB of memory in use. ENERGY: 1127200 3991.3879 20319.3324 14484.5349 261.8136 -203594.0465 2711.5501 0.0000 0.0000 51994.1565 -109831.2712 298.8111 -161825.4277 -109467.9642 298.8856 119.2846 147.9120 760661.7800 -4.2861 -4.2730 PRESSURE: 1127400 66.7851 233.884 85.2912 233.884 -172.733 -103.877 85.2907 -103.878 -104.034 GPRESSURE: 1127400 207.704 312.107 144.95 244.631 -200.312 -250.297 -31.2954 -28.6402 -122.562 PRESSAVG: 1127400 32.7582 65.0024 8.6972 65.0023 25.9168 -6.59158 8.69721 -6.59164 8.77942 GPRESSAVG: 1127400 33.3418 65.2037 8.4593 63.7211 25.7427 -9.24195 9.63687 -7.14012 8.57285 TIMING: 1127400 CPU: 3629.22, 0.00318548/step Wall: 3629.22, 0.00318548/step, 3.42669 hours remaining, 231.789062 MB of memory in use. ENERGY: 1127400 3957.9928 20366.7212 14496.8564 260.8668 -203145.9412 2243.2266 0.0000 0.0000 52020.4682 -109799.8091 298.9623 -161820.2773 -109441.1578 298.4975 -69.9941 -38.3902 759418.0879 22.4848 22.5524 PRESSURE: 1127600 17.1245 -25.6686 -61.0677 -25.669 36.7756 76.6616 -61.0667 76.6606 225.826 GPRESSURE: 1127600 45.8547 -73.2331 -83.109 73.8463 19.7305 30.9267 -54.6155 194.966 307.98 PRESSAVG: 1127600 40.4589 45.2628 13.4705 45.2628 -15.119 -13.3528 13.4705 -13.3528 -0.580617 GPRESSAVG: 1127600 41.264 44.745 13.4552 45.8321 -16.0607 -13.3986 13.2225 -11.983 -0.727447 TIMING: 1127600 CPU: 3629.85, 0.00316853/step Wall: 3629.85, 0.00316853/step, 3.40829 hours remaining, 231.789062 MB of memory in use. ENERGY: 1127600 4052.4242 20236.5534 14447.7387 240.6155 -203220.5052 2411.9988 0.0000 0.0000 51982.7526 -109848.4220 298.7456 -161831.1746 -109475.0823 298.7582 93.2421 124.5216 758869.2070 8.2531 8.1586 PRESSURE: 1127800 10.6332 -153.152 -113.232 -153.153 137.253 80.5121 -113.233 80.5131 -232.602 GPRESSURE: 1127800 -11.0518 -190.886 -119.166 -77.3075 114.367 8.54722 -95.0021 162.619 -94.5274 PRESSAVG: 1127800 -1.77552 -30.8623 -12.0423 -30.8623 -22.7349 -8.56562 -12.0423 -8.56559 5.06754 GPRESSAVG: 1127800 -2.21358 -30.7396 -13.0947 -31.8205 -23.5424 -7.45376 -8.36327 -9.24972 6.44419 TIMING: 1127800 CPU: 3630.48, 0.00315862/step Wall: 3630.48, 0.00315862/step, 3.39745 hours remaining, 231.789062 MB of memory in use. ENERGY: 1127800 4068.4468 20409.0746 14514.1593 242.1209 -203120.0416 2479.4732 0.0000 0.0000 51824.3447 -109582.4220 297.8352 -161406.7667 -109221.3972 298.8805 -28.2387 2.9293 760287.7821 -6.4810 -6.4373 PRESSURE: 1128000 22.4134 -169.582 -3.42533 -169.582 123.686 -226.393 -3.42553 -226.394 -193.842 GPRESSURE: 1128000 68.1894 -192.147 2.33509 -66.4139 83.9662 -261.17 -22.3039 -148.957 -124.475 PRESSAVG: 1128000 16.8699 -67.8252 40.307 -67.8252 31.1355 -21.4922 40.307 -21.4922 1.33197 GPRESSAVG: 1128000 16.9939 -67.3868 39.3547 -67.6574 31.6313 -23.7746 36.6814 -19.3607 0.425476 TIMING: 1128000 CPU: 3631.12, 0.00317689/step Wall: 3631.12, 0.00317689/step, 3.41693 hours remaining, 231.789062 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: 1128000 4069.0818 20526.6743 14512.7023 233.4013 -203135.1738 2296.6936 0.0000 0.0000 52037.5070 -109459.1135 299.0603 -161496.6204 -109098.6332 299.1702 -15.9142 9.2268 761519.5350 16.4458 16.3502 PRESSURE: 1128200 361.061 -147.605 -21.0065 -147.605 29.3076 74.36 -21.0074 74.3595 -151.692 GPRESSURE: 1128200 316.432 -44.7157 -7.22424 -30.8488 160.906 147.948 52.2535 -53.6793 -157.534 PRESSAVG: 1128200 10.0629 -17.3932 -8.99965 -17.3932 -1.02527 -8.18924 -8.9997 -8.18918 28.569 GPRESSAVG: 1128200 10.7253 -16.5642 -8.74492 -16.5095 -0.61344 -5.88535 -6.57525 -11.0385 27.9956 TIMING: 1128200 CPU: 3631.75, 0.00315975/step Wall: 3631.75, 0.00315975/step, 3.39831 hours remaining, 231.789062 MB of memory in use. ENERGY: 1128200 4040.0524 20487.6717 14464.7738 239.2109 -203450.6403 2484.6581 0.0000 0.0000 52194.5875 -109539.6859 299.9630 -161734.2735 -109183.6148 298.8885 79.5589 106.6013 759508.7312 12.5355 12.7025 LDB: ============= START OF LOAD BALANCING ============== 3644.17 LDB: ============== END OF LOAD BALANCING =============== 3644.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3644.18 LDB: ============= START OF LOAD BALANCING ============== 3644.49 LDB: Largest compute 7033 load 0.035622 is 18.2% of average load 0.195243 LDB: Average compute 0.004393 is 2.3% of average load 0.195243 LDB: TIME 3644.5 LOAD: AVG 0.195243 MAX 0.212493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.918 MB LDB: TIME 3644.5 LOAD: AVG 0.195243 MAX 0.212493 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.977 MB LDB: TIME 3644.5 LOAD: AVG 0.195243 MAX 0.212493 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.977 MB LDB: ============== END OF LOAD BALANCING =============== 3644.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3644.5 PRESSURE: 1128400 -14.3198 143.335 -43.605 143.334 -249.489 226.597 -43.6052 226.597 149.367 GPRESSURE: 1128400 71.4201 147.308 -147.565 104.085 -215.033 218.902 -2.00406 241.158 110.474 PRESSAVG: 1128400 60.0278 -53.102 37.1067 -53.1019 -34.4256 -61.7829 37.1067 -61.7829 -0.255792 GPRESSAVG: 1128400 60.5806 -52.6528 37.3829 -54.0211 -33.8069 -61.5805 38.109 -60.3621 -1.4928 TIMING: 1128400 CPU: 3632.4, 0.00323865/step Wall: 3632.4, 0.00323865/step, 3.48299 hours remaining, 231.078125 MB of memory in use. ENERGY: 1128400 4006.9986 20517.9147 14500.3233 242.4852 -203049.5054 2338.0782 0.0000 0.0000 51986.9508 -109456.7546 298.7697 -161443.7054 -109097.6915 299.2611 -38.1473 -11.0462 761245.1931 8.4488 8.4270 PRESSURE: 1128600 -481.015 -235.196 -60.2958 -235.196 -28.786 -55.1886 -60.2946 -55.1884 -40.7097 GPRESSURE: 1128600 -414.922 -178.734 -90.1902 -217.31 26.45 -89.1499 108.999 -52.3773 -77.9864 PRESSAVG: 1128600 21.0426 -1.65654 -33.0397 -1.65657 9.57001 1.97666 -33.0397 1.97661 4.96135 GPRESSAVG: 1128600 21.5836 -3.13755 -31.7567 -0.313366 7.73924 1.72936 -34.3843 1.05812 6.36723 TIMING: 1128600 CPU: 3633.04, 0.00318845/step Wall: 3633.04, 0.00318845/step, 3.42883 hours remaining, 231.078125 MB of memory in use. ENERGY: 1128600 4001.7330 20562.6615 14514.7662 249.6541 -203488.4034 2462.3728 0.0000 0.0000 52082.5977 -109614.6179 299.3194 -161697.2157 -109243.4155 299.4099 -183.5036 -155.4862 761405.4625 11.8580 11.8967 PRESSURE: 1128800 -100.682 -38.6092 -348.939 -38.6103 -53.339 -158.923 -348.939 -158.923 31.1595 GPRESSURE: 1128800 -24.8526 -110.751 -290.164 35.2965 -117.848 -93.384 -259.12 -193.892 125.977 PRESSAVG: 1128800 -59.5839 11.778 -36.9735 11.778 12.0424 -26.6344 -36.9735 -26.6343 10.1917 GPRESSAVG: 1128800 -59.9746 13.4709 -37.4533 11.9011 12.9475 -25.7271 -36.823 -26.5861 9.34262 TIMING: 1128800 CPU: 3633.67, 0.00316471/step Wall: 3633.67, 0.00316471/step, 3.40311 hours remaining, 231.078125 MB of memory in use. ENERGY: 1128800 3966.4611 20755.1418 14435.3860 253.2065 -203155.0216 2401.2646 0.0000 0.0000 51587.0492 -109756.5125 296.4715 -161343.5617 -109403.2208 298.7936 -40.9537 -5.5744 761207.1692 -12.4499 -12.5615 PRESSURE: 1129000 -11.8516 -38.8067 -106.651 -38.8061 -166.079 53.5277 -106.651 53.5268 -335.687 GPRESSURE: 1129000 35.2698 -123.455 -90.6726 18.9911 -103.11 -0.45764 -78.7859 39.4482 -372.479 PRESSAVG: 1129000 56.6428 -31.0514 -30.6679 -31.0514 -11.4925 -10.5245 -30.6679 -10.5245 10.2479 GPRESSAVG: 1129000 56.1555 -30.7739 -32.8813 -33.6889 -11.5842 -11.9611 -29.3846 -8.44385 10.9809 TIMING: 1129000 CPU: 3634.3, 0.00316776/step Wall: 3634.3, 0.00316776/step, 3.40623 hours remaining, 231.078125 MB of memory in use. ENERGY: 1129000 3945.9792 20527.2301 14518.1392 276.2302 -203103.4389 2340.3173 0.0000 0.0000 51786.8998 -109708.6431 297.6200 -161495.5429 -109336.4760 298.6884 -171.2060 -146.7732 760741.4420 18.4661 18.5174 PRESSURE: 1129200 55.6284 -136.55 126.504 -136.55 -318.02 125.953 126.503 125.952 -43.4527 GPRESSURE: 1129200 63.8871 -264.074 135.489 -81.5063 -250.28 151.292 177.388 59.7595 -22.0842 PRESSAVG: 1129200 2.17432 -39.2693 -44.182 -39.2694 20.6081 7.75997 -44.182 7.76004 -28.9655 GPRESSAVG: 1129200 1.63433 -40.2534 -44.2835 -39.2884 19.9119 7.18642 -45.6201 6.83699 -27.5343 TIMING: 1129200 CPU: 3634.93, 0.00315961/step Wall: 3634.93, 0.00315961/step, 3.39728 hours remaining, 231.078125 MB of memory in use. ENERGY: 1129200 4020.2948 20541.1034 14452.4469 251.4778 -202963.3210 2071.2791 0.0000 0.0000 51881.2343 -109745.4847 298.1622 -161626.7190 -109378.6151 298.7162 -101.9480 -69.4924 761339.4581 -2.0610 -1.9960 PRESSURE: 1129400 142.955 -132.404 -63.076 -132.404 325.897 199.659 -63.075 199.658 7.48428 GPRESSURE: 1129400 107.187 -143.494 -89.4663 -145.025 381.685 117.343 -81.2713 236.641 60.9791 PRESSAVG: 1129400 -57.5638 -34.7256 -9.40236 -34.7256 49.7378 72.6763 -9.40235 72.6763 7.94922 GPRESSAVG: 1129400 -57.2612 -33.4968 -8.11191 -32.2519 51.621 74.2698 -8.90089 70.7081 5.71149 TIMING: 1129400 CPU: 3635.57, 0.00317432/step Wall: 3635.57, 0.00317432/step, 3.41292 hours remaining, 231.078125 MB of memory in use. ENERGY: 1129400 4032.7567 20604.6605 14479.7845 236.5266 -203492.0285 2487.7439 0.0000 0.0000 51765.4943 -109885.0619 297.4970 -161650.5562 -109518.4824 298.6589 158.7787 183.2836 759006.4590 0.0410 0.0238 PRESSURE: 1129600 -145.152 -179.998 -166.413 -179.997 -59.2599 -149.833 -166.413 -149.834 -171.918 GPRESSURE: 1129600 -112.033 -224.603 -137.88 -87.0641 -50.3409 -204.434 -255.18 -45.1511 -148.425 PRESSAVG: 1129600 -25.2012 -3.67503 11.3278 -3.67504 54.039 0.278944 11.3278 0.278979 -21.7081 GPRESSAVG: 1129600 -26.0832 -5.46629 12.7448 -3.30006 53.2952 -0.258635 11.2065 2.25896 -20.5774 TIMING: 1129600 CPU: 3636.2, 0.00315294/step Wall: 3636.2, 0.00315294/step, 3.38976 hours remaining, 231.078125 MB of memory in use. ENERGY: 1129600 3994.7134 20485.2285 14482.9818 257.8714 -203921.4225 2710.0866 0.0000 0.0000 52347.3017 -109643.2389 300.8407 -161990.5407 -109278.8368 298.6194 -125.4433 -103.5995 759681.4049 2.3766 2.2115 PRESSURE: 1129800 192.245 -10.3575 45.1717 -10.3572 324.577 274.656 45.1714 274.656 -111.979 GPRESSURE: 1129800 132.961 -70.95 36.2996 49.7462 374.675 74.7591 -10.1774 99.3741 -8.43762 PRESSAVG: 1129800 -28.9147 -4.94636 -35.1195 -4.94637 8.01957 7.06293 -35.1195 7.06287 21.2498 GPRESSAVG: 1129800 -28.9978 -4.59078 -34.9221 -5.68526 8.23506 7.59908 -34.562 4.86582 21.5468 TIMING: 1129800 CPU: 3636.84, 0.00318557/step Wall: 3636.84, 0.00318557/step, 3.42467 hours remaining, 231.078125 MB of memory in use. ENERGY: 1129800 3957.8192 20532.9713 14488.2256 247.3681 -204030.5149 2929.8461 0.0000 0.0000 52152.8756 -109721.4090 299.7233 -161874.2845 -109364.1368 298.6641 134.9479 166.3996 760973.5692 0.1182 0.2613 PRESSURE: 1130000 -346.578 -195.158 -131.551 -195.158 -9.09505 -18.2607 -131.55 -18.2603 87.1293 GPRESSURE: 1130000 -213.151 -256.667 -161.836 -176.195 13.0404 29.6064 -147.503 -7.60361 23.2482 PRESSAVG: 1130000 -19.3801 -77.8249 -13.1005 -77.8249 31.6011 15.7222 -13.1005 15.7221 -9.07292 GPRESSAVG: 1130000 -17.7752 -77.0509 -14.7542 -78.2605 31.0004 17.2049 -12.628 16.4177 -10.1667 TIMING: 1130000 CPU: 3637.47, 0.00318373/step Wall: 3637.47, 0.00318373/step, 3.42251 hours remaining, 231.078125 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: 1130000 4080.6186 20458.0003 14431.6109 246.2783 -203231.0588 2409.5596 0.0000 0.0000 51911.3611 -109693.6301 298.3353 -161604.9911 -109343.8473 298.3080 -89.5146 -58.9541 760652.1317 1.0494 1.0195 PRESSURE: 1130200 146.852 162.708 -294.224 162.709 -178.735 -246.173 -294.224 -246.173 299.231 GPRESSURE: 1130200 122.891 163.888 -426.052 200.827 -117.697 -272.158 -388.752 -358.38 345.953 PRESSAVG: 1130200 -56.2871 -0.429776 -44.9802 -0.429766 48.4085 -8.68403 -44.9801 -8.68399 27.5712 GPRESSAVG: 1130200 -56.7618 -1.4494 -44.662 0.237804 49.081 -9.56745 -44.4188 -9.38715 27.403 TIMING: 1130200 CPU: 3638.11, 0.00316267/step Wall: 3638.11, 0.00316267/step, 3.3997 hours remaining, 231.078125 MB of memory in use. ENERGY: 1130200 4014.1447 20425.6770 14396.8948 240.8373 -203077.4896 2252.4629 0.0000 0.0000 51903.8468 -109843.6260 298.2921 -161747.4728 -109484.8510 298.6096 89.1163 117.0488 761611.3000 6.5642 6.5740 PRESSURE: 1130400 235.465 10.7058 -49.1151 10.706 -67.956 -114.879 -49.1144 -114.879 1.21909 GPRESSURE: 1130400 264.773 -74.1516 -8.51704 -47.2015 -30.3777 -55.1566 51.6354 -179.953 2.70553 PRESSAVG: 1130400 52.6236 35.0027 8.89711 35.0027 -23.5946 -3.0745 8.8971 -3.07457 -7.23635 GPRESSAVG: 1130400 51.9536 34.2321 9.23775 33.273 -23.228 -3.44679 8.70938 -2.81878 -6.77636 TIMING: 1130400 CPU: 3638.74, 0.00319162/step Wall: 3638.74, 0.00319162/step, 3.43063 hours remaining, 231.078125 MB of memory in use. ENERGY: 1130400 3963.9870 20588.3830 14395.5561 220.4396 -203451.9228 2528.7613 0.0000 0.0000 51879.5620 -109875.2339 298.1526 -161754.7959 -109518.9466 298.3830 56.2428 79.0335 759309.0160 7.2642 7.3164 PRESSURE: 1130600 116.895 -60.849 216.008 -60.8492 94.868 -4.42904 216.008 -4.42908 -12.1376 GPRESSURE: 1130600 172.908 -52.0393 234.396 -35.6004 76.457 18.0822 213.98 35.0768 25.6553 PRESSAVG: 1130600 40.2695 -62.9116 42.7844 -62.9116 -38.8221 -8.86036 42.7845 -8.86039 9.26787 GPRESSAVG: 1130600 40.976 -61.2205 43.1474 -63.2488 -40.1593 -10.0241 40.6046 -7.12213 9.66701 TIMING: 1130600 CPU: 3639.39, 0.00320413/step Wall: 3639.39, 0.00320413/step, 3.4439 hours remaining, 231.078125 MB of memory in use. ENERGY: 1130600 3962.8650 20648.0037 14472.1469 263.4821 -203798.7190 2751.3996 0.0000 0.0000 51810.6819 -109890.1397 297.7567 -161700.8216 -109521.1691 298.2501 66.5419 91.6735 761236.1900 3.5718 3.4946 PRESSURE: 1130800 241.077 -93.6704 -137.523 -93.6704 295.791 276.538 -137.522 276.538 22.1997 GPRESSURE: 1130800 288.838 -91.5576 -95.8503 -232.958 271.467 192.094 -158.977 211.798 94.0038 PRESSAVG: 1130800 -39.5911 -49.8639 -10.1477 -49.864 54.0694 4.55539 -10.1477 4.55547 0.0493141 GPRESSAVG: 1130800 -40.7947 -52.3874 -9.99964 -49.4619 54.5044 4.99487 -9.0988 3.42038 0.902753 TIMING: 1130800 CPU: 3640.02, 0.00317853/step Wall: 3640.02, 0.00317853/step, 3.41621 hours remaining, 231.078125 MB of memory in use. ENERGY: 1130800 3944.5049 20484.8557 14476.3019 239.2806 -203537.5998 2706.0485 0.0000 0.0000 51910.6820 -109775.9263 298.3314 -161686.6082 -109416.0832 298.2166 186.3558 218.1028 760872.2041 4.8425 4.8708 PRESSURE: 1131000 -139.626 -222.079 15.6349 -222.078 -147.881 29.572 15.6349 29.5718 -117.717 GPRESSURE: 1131000 -71.5619 -162.738 -78.6185 -230.742 -95.9962 -25.253 144.558 61.3502 -130.884 PRESSAVG: 1131000 18.7753 -75.1311 37.7128 -75.1312 21.006 72.6778 37.7128 72.6778 -2.68192 GPRESSAVG: 1131000 19.4668 -75.05 36.187 -74.2928 20.4565 71.8675 39.7482 71.7896 -3.37138 TIMING: 1131000 CPU: 3640.66, 0.00320307/step Wall: 3640.66, 0.00320307/step, 3.44241 hours remaining, 231.078125 MB of memory in use. ENERGY: 1131000 3955.2556 20454.0375 14554.3713 229.1356 -203187.8900 2336.3164 0.0000 0.0000 51826.0713 -109832.7024 297.8451 -161658.7737 -109472.5603 298.7779 -135.0748 -99.4807 760449.2231 12.3665 12.1840 PRESSURE: 1131200 38.4586 -26.0382 168.156 -26.0377 210.508 119.547 168.155 119.546 89.3972 GPRESSURE: 1131200 195.022 101.061 195.928 -84.5623 233.918 102.387 263.165 159.883 -9.78102 PRESSAVG: 1131200 -10.5174 -34.7978 22.2959 -34.7978 -25.378 -25.741 22.2959 -25.7411 -1.9277 GPRESSAVG: 1131200 -9.93781 -32.3605 23.6639 -36.4235 -24.8853 -23.6827 22.4723 -23.9485 -3.22733 TIMING: 1131200 CPU: 3641.3, 0.003207/step Wall: 3641.3, 0.003207/step, 3.44645 hours remaining, 231.078125 MB of memory in use. ENERGY: 1131200 3976.9923 20439.1905 14486.8999 242.1892 -203462.3262 2568.1340 0.0000 0.0000 51871.3280 -109877.5923 298.1052 -161748.9203 -109518.7975 298.5961 112.7880 139.7195 761016.6234 -12.6077 -12.6835 PRESSURE: 1131400 333.256 -161.323 95.3679 -161.323 42.818 -51.594 95.3679 -51.5937 -159.409 GPRESSURE: 1131400 244.909 -75.5638 170.509 -223.729 167.669 -137.937 9.72288 55.8809 -106.195 PRESSAVG: 1131400 53.1731 -66.5749 21.6637 -66.575 3.25532 18.0597 21.6638 18.0597 15.9032 GPRESSAVG: 1131400 52.9166 -68.2418 23.0667 -66.5789 3.38668 16.8406 19.4297 18.4812 16.1402 TIMING: 1131400 CPU: 3641.93, 0.00315474/step Wall: 3641.93, 0.00315474/step, 3.39012 hours remaining, 231.078125 MB of memory in use. ENERGY: 1131400 3984.1464 20429.8312 14443.0934 243.3342 -203713.8682 2655.3620 0.0000 0.0000 52121.9848 -109836.1162 299.5458 -161958.1009 -109475.8194 298.4018 72.2218 102.1276 760060.6320 24.1106 24.1479 PRESSURE: 1131600 -241.303 27.1399 226.125 27.1402 130.554 159.649 226.125 159.65 -198.466 GPRESSURE: 1131600 -173.842 133.584 299.795 158.575 151.463 134.984 151.994 96.383 -206.394 PRESSAVG: 1131600 49.5756 -53.7117 -2.31694 -53.7117 -48.2306 -6.55286 -2.3169 -6.55277 20.8896 GPRESSAVG: 1131600 47.8817 -51.7809 -2.53976 -53.0035 -48.2394 -6.44649 -2.1133 -7.39627 22.2983 TIMING: 1131600 CPU: 3642.57, 0.0031676/step Wall: 3642.57, 0.0031676/step, 3.40377 hours remaining, 231.078125 MB of memory in use. ENERGY: 1131600 3931.4823 20495.6757 14413.3841 241.8252 -203777.1183 2538.2024 0.0000 0.0000 52109.9466 -110046.6020 299.4766 -162156.5486 -109688.2070 298.1528 -103.0718 -76.2574 760842.3084 7.4116 7.3135 PRESSURE: 1131800 -359.494 -163.9 -44.5765 -163.9 -295.28 -138.991 -44.5759 -138.99 129.986 GPRESSURE: 1131800 -325.162 -117.003 -26.5704 -51.2334 -269.48 -99.9536 -21.1589 -180.843 167.986 PRESSAVG: 1131800 51.5123 -43.6611 -16.084 -43.6611 -56.2844 31.7668 -16.084 31.7667 -9.07211 GPRESSAVG: 1131800 53.8971 -44.8719 -16.5819 -42.7524 -55.9526 32.734 -17.1278 33.1909 -11.3741 TIMING: 1131800 CPU: 3643.2, 0.00317512/step Wall: 3643.2, 0.00317512/step, 3.41167 hours remaining, 231.078125 MB of memory in use. ENERGY: 1131800 3994.2536 20515.3297 14473.5535 236.4391 -203857.1703 2798.3171 0.0000 0.0000 51776.3053 -110062.9720 297.5591 -161839.2773 -109701.7744 298.1982 -174.9293 -142.2184 760493.2635 -4.6147 -4.4765 PRESSURE: 1132000 119.863 226.743 42.5518 226.742 -74.1118 11.4746 42.5518 11.4748 -498.567 GPRESSURE: 1132000 170.265 154.374 72.6462 142.059 -87.8602 3.59953 -105.787 -59.2161 -445.138 PRESSAVG: 1132000 2.6485 -29.2244 16.696 -29.2244 5.88345 -2.58768 16.6961 -2.58758 0.894068 GPRESSAVG: 1132000 1.73107 -27.1867 13.7257 -31.7443 5.09298 -2.62958 20.1162 -5.71635 2.62249 TIMING: 1132000 CPU: 3643.84, 0.00318033/step Wall: 3643.84, 0.00318033/step, 3.41709 hours remaining, 231.078125 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: 1132000 3991.7663 20639.3176 14509.9695 258.2940 -203667.1320 2603.6643 0.0000 0.0000 51762.9567 -109901.1636 297.4824 -161664.1203 -109547.7492 297.9524 -150.9385 -120.9110 761020.1624 3.1420 3.1488 PRESSURE: 1132200 -117.998 -68.6701 -137.758 -68.6698 -149.242 27.4836 -137.757 27.4837 -120.52 GPRESSURE: 1132200 -52.4329 -22.0886 -105.905 -77.6198 -228.801 29.3685 -172.485 162.74 -35.757 PRESSAVG: 1132200 29.4582 -55.9409 -22.3276 -55.9409 -31.9702 37.9902 -22.3276 37.9901 1.61909 GPRESSAVG: 1132200 29.3621 -58.9892 -20.6393 -54.5279 -32.076 37.5539 -25.4545 43.4889 0.720869 TIMING: 1132200 CPU: 3644.48, 0.00319551/step Wall: 3644.48, 0.00319551/step, 3.43322 hours remaining, 231.078125 MB of memory in use. ENERGY: 1132200 4024.4304 20676.0300 14406.5940 240.8499 -203440.2855 2207.3238 0.0000 0.0000 52046.1629 -109838.8946 299.1100 -161885.0575 -109473.7775 298.6708 -129.2535 -105.6635 759277.6319 -0.2976 -0.6643 LDB: ============= START OF LOAD BALANCING ============== 3656.9 LDB: ============== END OF LOAD BALANCING =============== 3656.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3656.9 LDB: ============= START OF LOAD BALANCING ============== 3657.22 LDB: Largest compute 7033 load 0.035368 is 18.1% of average load 0.195195 LDB: Average compute 0.004395 is 2.3% of average load 0.195195 LDB: TIME 3657.22 LOAD: AVG 0.195195 MAX 0.213351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.387 MB LDB: TIME 3657.22 LOAD: AVG 0.195195 MAX 0.213351 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: TIME 3657.22 LOAD: AVG 0.195195 MAX 0.213351 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.59 MB LDB: ============== END OF LOAD BALANCING =============== 3657.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3657.23 PRESSURE: 1132400 183.593 -280.706 8.19845 -280.706 -99.6736 -4.0679 8.19777 -4.06698 320.531 GPRESSURE: 1132400 209.741 -213.843 -50.1342 -210.266 -110.116 15.8289 105.161 -54.3634 389.684 PRESSAVG: 1132400 68.4274 -60.7298 -9.87736 -60.7298 -76.3021 61.0007 -9.87745 61.0007 -18.7715 GPRESSAVG: 1132400 67.9559 -59.3438 -8.83617 -60.4063 -76.2039 60.2573 -9.14614 60.0137 -18.1333 TIMING: 1132400 CPU: 3645.12, 0.0032317/step Wall: 3645.12, 0.0032317/step, 3.47192 hours remaining, 232.613281 MB of memory in use. ENERGY: 1132400 4043.7418 20544.7419 14492.1722 240.0726 -203467.7517 2487.1848 0.0000 0.0000 51951.4711 -109708.3671 298.5658 -161659.8382 -109343.7059 298.7150 134.8169 163.1029 760426.8330 -8.8820 -8.7938 PRESSURE: 1132600 103.261 -217.492 -52.924 -217.492 5.41928 -178.261 -52.9244 -178.262 -173.407 GPRESSURE: 1132600 171.704 -261.77 12.5033 -126.354 -19.9054 -213.133 -116.881 -94.4956 -155.09 PRESSAVG: 1132600 10.1932 -23.8625 12.803 -23.8624 3.33048 -21.9983 12.803 -21.9984 8.16499 GPRESSAVG: 1132600 11.4521 -26.0576 12.1963 -22.5626 1.76525 -21.2823 13.6446 -24.287 8.28123 TIMING: 1132600 CPU: 3645.76, 0.00316295/step Wall: 3645.76, 0.00316295/step, 3.39789 hours remaining, 232.683594 MB of memory in use. ENERGY: 1132600 4057.2830 20475.9032 14423.4573 252.1538 -203705.7886 2731.1094 0.0000 0.0000 52048.6858 -109717.1961 299.1245 -161765.8819 -109345.4157 298.8282 -21.5757 -1.0972 759932.5184 7.2296 7.1662 PRESSURE: 1132800 151.194 -0.79519 338.444 -0.795831 -51.2904 230.619 338.443 230.619 86.843 GPRESSURE: 1132800 27.4504 -6.51301 431.185 -33.8063 145.724 178.178 147.004 126.507 117.705 PRESSAVG: 1132800 30.2462 -54.5032 -19.98 -54.5033 -33.2862 -22.1431 -19.98 -22.1431 -15.7263 GPRESSAVG: 1132800 29.8043 -52.2237 -18.8201 -56.2405 -31.8614 -21.0926 -21.9953 -23.0845 -16.1394 TIMING: 1132800 CPU: 3646.39, 0.00316186/step Wall: 3646.39, 0.00316186/step, 3.39654 hours remaining, 232.683594 MB of memory in use. ENERGY: 1132800 3895.8414 20487.9525 14457.1808 264.5467 -203008.8267 2236.4513 0.0000 0.0000 52127.8858 -109538.9681 299.5797 -161666.8539 -109162.8295 299.0944 62.2489 96.9599 761713.3376 -6.2554 -6.0655 PRESSURE: 1133000 324.143 78.4079 -162.086 78.4081 2.02028 -24.3222 -162.086 -24.322 92.0318 GPRESSURE: 1133000 385.615 92.3715 -71.1801 37.8659 45.2234 -85.7945 -137.757 -90.9777 72.1023 PRESSAVG: 1133000 58.6611 -32.0471 12.9787 -32.047 8.88598 27.9304 12.9787 27.9304 -3.14124 GPRESSAVG: 1133000 58.0041 -34.0235 12.462 -30.1719 10.1978 27.0455 13.022 28.1956 -3.68836 TIMING: 1133000 CPU: 3647.03, 0.00319994/step Wall: 3647.03, 0.00319994/step, 3.43727 hours remaining, 232.683594 MB of memory in use. ENERGY: 1133000 3973.6532 20605.0951 14421.6647 248.8460 -203820.3299 2850.1617 0.0000 0.0000 52302.7439 -109418.1652 300.5846 -161720.9091 -109051.7692 299.9200 139.3984 167.6468 760394.0319 21.4686 21.5045 PRESSURE: 1133200 -31.7289 138.987 -17.6237 138.987 -100.312 -123.77 -17.6239 -123.77 -140.582 GPRESSURE: 1133200 -4.7243 108.835 -9.41182 224.386 -114.349 -77.876 -15.6272 -188.521 -67.9395 PRESSAVG: 1133200 89.4676 -27.0197 -11.6999 -27.0197 -81.8118 21.1726 -11.7 21.1726 -21.6243 GPRESSAVG: 1133200 89.8975 -24.9659 -11.313 -28.092 -82.8821 20.1053 -10.0233 22.4063 -20.977 TIMING: 1133200 CPU: 3647.67, 0.00319115/step Wall: 3647.67, 0.00319115/step, 3.42765 hours remaining, 232.683594 MB of memory in use. ENERGY: 1133200 3979.5204 20514.1063 14466.4205 259.4126 -203444.7502 2529.9475 0.0000 0.0000 52153.0448 -109542.2981 299.7243 -161695.3429 -109176.1396 299.2507 -90.8745 -62.3377 760415.2660 -4.6562 -4.6539 PRESSURE: 1133400 -447.662 -81.3341 -79.8877 -81.3335 -344.403 -18.0726 -79.8874 -18.073 201.718 GPRESSURE: 1133400 -378.614 -91.8327 -36.2718 -56.1622 -286.621 7.61607 -144.287 25.6326 165.339 PRESSAVG: 1133400 78.4883 -1.40431 12.5584 -1.4043 -44.2901 -29.7831 12.5585 -29.7831 21.362 GPRESSAVG: 1133400 78.8961 -2.81045 12.2465 -1.79942 -43.9335 -29.0072 12.6626 -29.243 20.825 TIMING: 1133400 CPU: 3648.3, 0.00317475/step Wall: 3648.3, 0.00317475/step, 3.40986 hours remaining, 232.683594 MB of memory in use. ENERGY: 1133400 4013.0545 20473.2770 14469.8297 248.1506 -203389.4466 2405.1687 0.0000 0.0000 52282.4423 -109497.5238 300.4679 -161779.9661 -109141.0059 299.4645 -196.7824 -166.6317 761314.2109 18.5201 18.5959 PRESSURE: 1133600 -220.08 -65.9943 -91.0871 -65.9949 -200.911 -165.801 -91.0859 -165.802 -56.805 GPRESSURE: 1133600 -123.19 -99.4493 -110.048 -36.2352 -145.125 -114.331 3.48559 -174.016 -139.196 PRESSAVG: 1133600 20.4558 -25.3188 3.0571 -25.3187 -5.32796 18.2678 3.05702 18.2679 -0.541636 GPRESSAVG: 1133600 20.5911 -23.3156 1.38853 -25.2553 -4.87228 17.2536 4.45421 17.1857 -0.327269 TIMING: 1133600 CPU: 3648.94, 0.00319121/step Wall: 3648.94, 0.00319121/step, 3.42736 hours remaining, 232.683594 MB of memory in use. ENERGY: 1133600 4017.0512 20503.2470 14524.7160 252.9623 -203280.8696 2471.8193 0.0000 0.0000 51900.1883 -109610.8856 298.2711 -161511.0739 -109249.2094 299.4786 -159.2653 -135.8371 760387.4874 4.8621 5.1305 PRESSURE: 1133800 225.412 59.832 -118.837 59.8316 369.858 162.449 -118.835 162.448 -169.065 GPRESSURE: 1133800 234.646 -26.9674 -127.321 22.9588 310.049 93.0817 -12.8898 173.196 -46.9902 PRESSAVG: 1133800 20.4229 -31.2139 28.4314 -31.2139 -9.08269 42.6642 28.4314 42.6642 -12.4476 GPRESSAVG: 1133800 21.0704 -33.5376 30.5363 -30.4095 -11.2015 42.7196 25.1662 43.368 -11.3229 TIMING: 1133800 CPU: 3649.58, 0.00319969/step Wall: 3649.58, 0.00319969/step, 3.43629 hours remaining, 232.683594 MB of memory in use. ENERGY: 1133800 3926.4249 20721.7324 14477.3862 245.9079 -203585.2325 2540.5745 0.0000 0.0000 51931.8847 -109741.3219 298.4533 -161673.2066 -109390.9163 299.0485 142.0685 165.9015 758802.5099 -0.3691 -0.4847 PRESSURE: 1134000 -190.727 36.1879 135.521 36.1891 109.044 -290.308 135.521 -290.309 -107.183 GPRESSURE: 1134000 -166.92 41.528 55.9873 -20.0089 169.3 -199.754 54.5435 -256.223 -114.313 PRESSAVG: 1134000 47.368 -19.1413 1.37178 -19.1413 -35.7878 -5.62015 1.37177 -5.62008 -7.89151 GPRESSAVG: 1134000 47.5359 -18.1549 -1.55117 -18.6101 -34.3725 -4.27999 3.3144 -6.03734 -8.64231 TIMING: 1134000 CPU: 3650.22, 0.00318522/step Wall: 3650.22, 0.00318522/step, 3.42057 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1134000 3955.8514 20547.9435 14458.0371 261.9119 -203330.4873 2421.7695 0.0000 0.0000 51902.5503 -109782.4236 298.2847 -161684.9739 -109411.8753 298.6457 -62.9551 -37.3112 759992.8729 1.2296 1.5070 PRESSURE: 1134200 -182.709 26.4403 13.4629 26.4405 52.4978 -7.5473 13.4628 -7.5478 271.562 GPRESSURE: 1134200 -146.217 38.0707 16.3436 87.898 182.645 30.3868 76.0342 -68.3108 206.783 PRESSAVG: 1134200 41.5764 -59.4482 20.0018 -59.4483 -12.2599 4.22471 20.0017 4.22457 10.8134 GPRESSAVG: 1134200 38.952 -59.7687 22.5072 -59.6233 -9.35248 4.89458 19.1851 1.8819 10.3795 TIMING: 1134200 CPU: 3650.85, 0.00317503/step Wall: 3650.85, 0.00317503/step, 3.40946 hours remaining, 232.683594 MB of memory in use. ENERGY: 1134200 3970.7132 20577.5619 14451.2016 276.7195 -203341.2618 2546.3731 0.0000 0.0000 51904.3526 -109614.3399 298.2950 -161518.6925 -109251.0821 298.8426 47.1169 81.0702 760183.0982 13.3766 13.3263 PRESSURE: 1134400 47.9766 -262 209.595 -262 405.374 57.3391 209.595 57.3387 -251.626 GPRESSURE: 1134400 74.1918 -215.486 230.716 -295.887 460.436 35.2282 194.936 99.854 -243.481 PRESSAVG: 1134400 30.1256 -66.3498 -27.1618 -66.3498 -19.2897 37.6488 -27.1618 37.6487 11.6054 GPRESSAVG: 1134400 31.3692 -66.594 -28.0188 -65.2755 -21.2027 35.7696 -26.8371 39.2721 12.373 TIMING: 1134400 CPU: 3651.48, 0.00315941/step Wall: 3651.48, 0.00315941/step, 3.39251 hours remaining, 232.683594 MB of memory in use. ENERGY: 1134400 4002.5869 20425.6480 14402.5362 258.0638 -203163.6143 2390.7913 0.0000 0.0000 52158.9453 -109525.0428 299.7582 -161683.9881 -109144.1065 299.3445 67.2414 97.0491 760084.6397 7.4804 7.5131 PRESSURE: 1134600 -91.0958 -85.2914 70.1251 -85.2908 -252.64 146.304 70.125 146.304 -134.312 GPRESSURE: 1134600 -39.861 -67.1424 -33.0351 -23.94 -159.085 203.145 203.388 195.038 -199.521 PRESSAVG: 1134600 -15.9871 20.2214 -23.1269 20.2214 -15.8033 14.6805 -23.1269 14.6805 -1.46734 GPRESSAVG: 1134600 -15.5055 20.9906 -23.54 18.1148 -16.7472 15.7268 -23.6504 16.0357 -1.39129 TIMING: 1134600 CPU: 3652.13, 0.00320299/step Wall: 3652.13, 0.00320299/step, 3.43912 hours remaining, 232.683594 MB of memory in use. ENERGY: 1134600 4004.7601 20382.1286 14498.8964 251.7450 -203451.8179 2474.7585 0.0000 0.0000 52146.0051 -109693.5242 299.6838 -161839.5293 -109337.4565 299.0433 -159.3494 -132.8224 760781.9222 -11.0859 -11.2147 PRESSURE: 1134800 208.798 -52.2593 -182.345 -52.2593 173.772 70.0377 -182.345 70.0375 583.945 GPRESSURE: 1134800 147.307 -32.3609 -139.683 -28.1411 297.959 3.9352 -152.272 31.0843 588.958 PRESSAVG: 1134800 23.6744 -67.8702 58.8348 -67.8702 -11.6337 -6.77502 58.8347 -6.77497 6.64678 GPRESSAVG: 1134800 21.8201 -69.0169 60.6127 -67.5452 -10.0931 -9.337 57.6365 -3.86686 7.02703 TIMING: 1134800 CPU: 3652.76, 0.00318997/step Wall: 3652.76, 0.00318997/step, 3.42496 hours remaining, 232.683594 MB of memory in use. ENERGY: 1134800 3967.8343 20549.9902 14498.3609 243.2356 -203564.5805 2744.3878 0.0000 0.0000 51856.9885 -109703.7833 298.0228 -161560.7718 -109349.5152 298.7010 322.1716 344.7417 758925.1137 6.2291 6.2514 PRESSURE: 1135000 -16.1947 -129.48 -109.287 -129.48 -126.336 -69.2987 -109.287 -69.2977 -226.767 GPRESSURE: 1135000 -62.7728 -164.809 -48.8848 -143.179 -86.355 -45.4428 -173.615 60.5387 -164.056 PRESSAVG: 1135000 -17.1523 -79.2594 16.0747 -79.2593 -1.98558 -10.8538 16.0747 -10.8537 -8.00651 GPRESSAVG: 1135000 -15.6242 -78.8133 15.5369 -80.4838 -3.09618 -7.64287 16.5184 -14.8843 -8.32729 TIMING: 1135000 CPU: 3653.4, 0.0031752/step Wall: 3653.4, 0.0031752/step, 3.40893 hours remaining, 232.683594 MB of memory in use. ENERGY: 1135000 4016.7813 20512.8340 14532.3331 255.3321 -203383.5140 2509.3748 0.0000 0.0000 51871.2525 -109685.6061 298.1048 -161556.8586 -109306.7106 299.3357 -123.0991 -104.3947 760632.0091 -9.0481 -9.0159 PRESSURE: 1135200 69.6115 294.49 120.861 294.49 194.101 -180.766 120.863 -180.766 105.446 GPRESSURE: 1135200 198.495 190.866 126.164 278.495 121.055 -214.815 -57.7377 -182.446 110.028 PRESSAVG: 1135200 -11.0961 -53.1843 -1.40896 -53.1843 -13.2306 -7.57292 -1.40893 -7.57301 31.5901 GPRESSAVG: 1135200 -11.3997 -55.3815 -2.89247 -50.9414 -13.8109 -9.22001 -1.05079 -5.59397 32.6354 TIMING: 1135200 CPU: 3654.04, 0.0032065/step Wall: 3654.04, 0.0032065/step, 3.44235 hours remaining, 232.683594 MB of memory in use. ENERGY: 1135200 4020.3194 20459.5966 14514.8523 244.5374 -203830.1269 2732.0253 0.0000 0.0000 52318.6614 -109540.1345 300.6761 -161858.7959 -109176.0844 299.7463 123.0527 143.1929 760152.5826 2.4211 2.4750 PRESSURE: 1135400 40.7199 -16.7316 -74.1208 -16.732 -35.1596 -53.2723 -74.1202 -53.2715 -99.8863 GPRESSURE: 1135400 -20.7646 -24.5496 -19.7798 -30.7174 74.4227 -26.248 -39.2395 -82.2615 -40.091 PRESSAVG: 1135400 14.9536 41.5829 32.2824 41.5829 -74.861 -12.1254 32.2825 -12.1253 9.47714 GPRESSAVG: 1135400 15.4626 43.0112 32.1081 40.5284 -74.7431 -13.4472 32.4404 -11.9593 9.51013 TIMING: 1135400 CPU: 3654.68, 0.00318751/step Wall: 3654.68, 0.00318751/step, 3.42179 hours remaining, 232.683594 MB of memory in use. ENERGY: 1135400 3989.2764 20540.1260 14517.2634 252.5859 -203618.4303 2520.5662 0.0000 0.0000 52217.9692 -109580.6432 300.0974 -161798.6124 -109227.4662 299.5440 -31.4420 4.5224 759713.8311 -16.8101 -16.5901 PRESSURE: 1135600 11.9868 -88.8496 -99.6317 -88.8494 -403.947 -205.015 -99.6329 -205.015 -209.148 GPRESSURE: 1135600 63.2505 -140.881 -178.155 -273.158 -294.877 -120.316 -6.35542 -202.41 -275.215 PRESSAVG: 1135600 20.0253 -32.4157 -15.1015 -32.4156 -73.7035 5.24004 -15.1015 5.24002 -45.3527 GPRESSAVG: 1135600 20.6229 -30.0027 -13.9265 -33.0934 -72.8638 6.51549 -15.0834 2.69508 -46.9621 TIMING: 1135600 CPU: 3655.31, 0.00317595/step Wall: 3655.31, 0.00317595/step, 3.4092 hours remaining, 232.683594 MB of memory in use. ENERGY: 1135600 4034.7669 20472.9189 14543.9900 249.0999 -203542.1473 2422.9969 0.0000 0.0000 52201.5577 -109616.8171 300.0031 -161818.3748 -109248.1037 299.4074 -200.3695 -168.9472 758130.7780 -33.0103 -33.0677 PRESSURE: 1135800 346.852 239.807 37.712 239.806 159.916 139.154 37.7115 139.154 -259.223 GPRESSURE: 1135800 361.899 153.717 93.0164 137.669 257.105 155.109 84.7322 -4.56829 -274.424 PRESSAVG: 1135800 56.4134 -38.3755 10.3656 -38.3754 -41.8732 52.4067 10.3657 52.4068 7.17706 GPRESSAVG: 1135800 55.0822 -40.385 9.57396 -37.4005 -42.0656 53.5891 12.4773 53.7445 7.98927 TIMING: 1135800 CPU: 3655.95, 0.00318881/step Wall: 3655.95, 0.00318881/step, 3.42283 hours remaining, 232.683594 MB of memory in use. ENERGY: 1135800 3994.2713 20539.4690 14448.5829 260.8431 -203611.3251 2559.8752 0.0000 0.0000 52155.1079 -109653.1758 299.7361 -161808.2837 -109290.2326 299.0768 82.5151 114.8600 758637.9605 7.2391 7.0020 PRESSURE: 1136000 -23.2285 75.9765 160.374 75.9771 35.7974 11.5032 160.374 11.5026 -198.124 GPRESSURE: 1136000 118.82 102.183 198.774 141.04 -38.191 -21.002 15.552 54.7794 -186.012 PRESSAVG: 1136000 6.7919 -40.8796 -37.1034 -40.8796 8.38352 -2.34853 -37.1035 -2.34859 -3.70879 GPRESSAVG: 1136000 7.99143 -40.4065 -37.5953 -42.196 8.03622 -3.03351 -40.0034 -4.81516 -4.33884 TIMING: 1136000 CPU: 3656.58, 0.00317092/step Wall: 3656.58, 0.00317092/step, 3.40346 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1136000 3996.7250 20661.3200 14485.6620 245.4325 -203043.4756 2249.5855 0.0000 0.0000 51893.9787 -109510.7720 298.2354 -161404.7506 -109147.2990 299.2518 -61.8518 -35.1278 759135.3090 3.8222 3.8963 PRESSURE: 1136200 210.923 53.3525 -69.1975 53.3528 162.852 -232.228 -69.1979 -232.228 -115.124 GPRESSURE: 1136200 271.12 -35.6736 -28.1736 5.58529 135.218 -186.356 -27.7262 -142.183 -79.1691 PRESSAVG: 1136200 -46.4276 25.5959 -37.5642 25.596 27.726 33.9033 -37.5642 33.9033 19.7102 GPRESSAVG: 1136200 -45.7829 23.5689 -37.2944 28.5837 26.6467 33.8058 -35.5316 35.2323 20.2892 TIMING: 1136200 CPU: 3657.22, 0.00319875/step Wall: 3657.22, 0.00319875/step, 3.43314 hours remaining, 232.683594 MB of memory in use. ENERGY: 1136200 4035.1165 20549.9573 14538.9841 246.6941 -202796.4672 2027.1144 0.0000 0.0000 52221.0182 -109177.5825 300.1149 -161398.6007 -108814.6939 299.2136 86.2171 109.0564 760080.1102 0.3362 0.3843 LDB: ============= START OF LOAD BALANCING ============== 3669.65 LDB: ============== END OF LOAD BALANCING =============== 3669.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3669.66 LDB: ============= START OF LOAD BALANCING ============== 3669.98 LDB: Largest compute 7033 load 0.036287 is 18.6% of average load 0.195222 LDB: Average compute 0.004391 is 2.2% of average load 0.195222 LDB: TIME 3669.98 LOAD: AVG 0.195222 MAX 0.21781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.875 MB LDB: TIME 3669.98 LOAD: AVG 0.195222 MAX 0.21781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: TIME 3669.98 LOAD: AVG 0.195222 MAX 0.21781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: ============== END OF LOAD BALANCING =============== 3669.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3669.99 PRESSURE: 1136400 179.962 148.602 -52.6955 148.602 -9.13207 128.57 -52.6952 128.57 -231.278 GPRESSURE: 1136400 142.173 84.7703 -30.4395 202.536 142.147 23.3153 -198.236 74.0954 -238.663 PRESSAVG: 1136400 46.6976 29.6484 5.93191 29.6483 -3.15347 10.8736 5.93193 10.8736 -17.3207 GPRESSAVG: 1136400 45.448 31.0144 6.06268 29.6043 -2.14307 10.6484 2.57525 10.5883 -16.9482 TIMING: 1136400 CPU: 3657.88, 0.00330249/step Wall: 3657.88, 0.00330249/step, 3.54431 hours remaining, 231.128906 MB of memory in use. ENERGY: 1136400 4107.5302 20548.2621 14479.0192 247.1806 -203379.3693 2590.8201 0.0000 0.0000 52315.4025 -109091.1547 300.6573 -161406.5572 -108731.7724 300.2680 -20.1492 15.2187 759390.9195 8.7411 8.7856 PRESSURE: 1136600 74.271 -40.5171 -188.13 -40.5176 -262.307 -95.7452 -188.13 -95.7443 -38.9905 GPRESSURE: 1136600 30.7837 116.821 -295.944 -156.128 -96.3389 -115.572 -82.278 -94.6146 -78.7026 PRESSAVG: 1136600 9.41331 -5.14175 25.438 -5.14173 -34.1202 -14.1652 25.4379 -14.1652 29.4392 GPRESSAVG: 1136600 8.80712 -3.92 24.0067 -7.56347 -32.7541 -14.6225 28.1223 -13.5161 28.8049 TIMING: 1136600 CPU: 3658.52, 0.00318869/step Wall: 3658.52, 0.00318869/step, 3.42199 hours remaining, 231.328125 MB of memory in use. ENERGY: 1136600 4079.7261 20499.4464 14511.5716 233.3255 -202766.4954 2030.6102 0.0000 0.0000 52193.3082 -109218.5075 299.9557 -161411.8157 -108856.4780 300.2591 -75.6754 -48.0859 760569.2091 1.5774 1.6193 PRESSURE: 1136800 -190.255 176.755 -349.204 176.756 -108.306 2.24657 -349.204 2.24564 -15.0914 GPRESSURE: 1136800 -82.6058 34.6066 -315.531 161.922 -157.167 68.0297 -333.237 -141.976 1.98547 PRESSAVG: 1136800 31.4457 -15.2642 -18.5756 -15.2644 -15.2727 -12.706 -18.5757 -12.7061 5.6058 GPRESSAVG: 1136800 32.4515 -16.4238 -18.4611 -14.1459 -17.8859 -12.2206 -18.2745 -14.088 7.14595 TIMING: 1136800 CPU: 3659.16, 0.00318564/step Wall: 3659.16, 0.00318564/step, 3.41854 hours remaining, 231.328125 MB of memory in use. ENERGY: 1136800 3963.5843 20497.1693 14556.3296 281.2721 -203327.8679 2539.2328 0.0000 0.0000 52336.0002 -109154.2796 300.7757 -161490.2798 -108787.4863 300.1888 -104.5509 -79.2625 761330.3266 7.2596 7.2372 PRESSURE: 1137000 -40.6665 102.613 -113.614 102.613 -249.485 -26.5737 -113.615 -26.5749 -318.652 GPRESSURE: 1137000 -42.7356 50.1246 -184.283 244.151 -192.532 -28.79 -119.889 17.5925 -303.345 PRESSAVG: 1137000 -18.5083 -41.3537 48.8727 -41.3537 -2.89497 7.17212 48.8728 7.17207 -0.0255762 GPRESSAVG: 1137000 -18.4759 -39.1492 50.1226 -41.5342 -1.79215 6.50189 48.0651 9.2038 -0.693255 TIMING: 1137000 CPU: 3659.8, 0.00320933/step Wall: 3659.8, 0.00320933/step, 3.44379 hours remaining, 231.328125 MB of memory in use. ENERGY: 1137000 3913.6026 20554.3155 14490.3970 259.8737 -203146.9163 2489.5444 0.0000 0.0000 52083.9054 -109355.2778 299.3269 -161439.1832 -108990.0851 299.9473 -202.9348 -179.5375 762262.0134 -7.1429 -6.9871 PRESSURE: 1137200 46.0812 -191.539 -147.539 -191.54 -308.888 198.599 -147.539 198.599 40.6756 GPRESSURE: 1137200 63.0294 -241.283 -118.9 -281.277 -184.495 213.763 -225.081 168.572 -13.2508 PRESSAVG: 1137200 29.572 -33.1403 4.09666 -33.1402 -10.2655 31.2626 4.09675 31.2626 -12.0729 GPRESSAVG: 1137200 30.5164 -33.8852 4.55258 -33.2541 -9.96273 31.3685 4.38185 31.7934 -13.1879 TIMING: 1137200 CPU: 3660.43, 0.00316873/step Wall: 3660.43, 0.00316873/step, 3.40004 hours remaining, 231.328125 MB of memory in use. ENERGY: 1137200 3978.8628 20592.6441 14544.5855 244.2193 -203369.2903 2586.0306 0.0000 0.0000 52024.8341 -109398.1139 298.9874 -161422.9480 -109034.6512 299.5381 -74.0436 -44.9054 759083.2543 2.4112 2.4553 PRESSURE: 1137400 20.138 -30.9142 -99.0054 -30.9141 -278.112 -112.527 -99.0065 -112.528 -112.754 GPRESSURE: 1137400 -39.8123 53.5798 -135.116 35.4534 -248.453 -57.1614 -0.322136 -97.3158 -26.4729 PRESSAVG: 1137400 50.8168 -22.9081 25.5636 -22.9081 -46.9103 38.1723 25.5636 38.1722 -18.6046 GPRESSAVG: 1137400 50.705 -24.0488 24.7317 -23.5457 -47.598 38.355 24.1179 36.4235 -17.6509 TIMING: 1137400 CPU: 3661.07, 0.00318353/step Wall: 3661.07, 0.00318353/step, 3.41576 hours remaining, 231.328125 MB of memory in use. ENERGY: 1137400 3938.7911 20511.7733 14534.0052 252.9668 -203218.0279 2407.9915 0.0000 0.0000 52323.2384 -109249.2617 300.7024 -161572.5001 -108883.9229 299.7177 -123.5759 -104.9127 761492.2420 -4.8994 -4.8480 PRESSURE: 1137600 85.6212 -199.053 -88.5751 -199.054 -29.1987 102.362 -88.5749 102.362 -2.17801 GPRESSURE: 1137600 112.508 -289.377 -1.12138 -215.533 62.4629 58.3657 2.88252 88.1774 -36.9311 PRESSAVG: 1137600 21.7704 -28.141 28.2707 -28.141 -38.6407 -25.0206 28.2707 -25.0206 7.02429 GPRESSAVG: 1137600 23.4863 -27.6739 29.9287 -27.1829 -38.6078 -24.6701 28.4558 -25.951 5.92735 TIMING: 1137600 CPU: 3661.71, 0.00319773/step Wall: 3661.71, 0.00319773/step, 3.43081 hours remaining, 231.328125 MB of memory in use. ENERGY: 1137600 4022.5195 20457.1468 14571.0649 241.7256 -203820.5535 2784.5230 0.0000 0.0000 52414.1965 -109329.3772 301.2251 -161743.5737 -108953.1810 299.6752 18.0815 46.0134 759578.7678 -3.2820 -3.0647 PRESSURE: 1137800 395.264 -192.514 206.54 -192.514 -89.1665 -30.1655 206.54 -30.1656 70.9227 GPRESSURE: 1137800 414.204 -128.227 93.228 -209.157 30.1484 74.5381 144.512 -183.084 46.2583 PRESSAVG: 1137800 28.4895 -28.6042 21.629 -28.6043 -29.5045 53.7703 21.629 53.7703 4.09938 GPRESSAVG: 1137800 26.5402 -28.425 22.2246 -26.9964 -28.4759 55.8896 21.9575 53.3583 5.55628 TIMING: 1137800 CPU: 3662.35, 0.00320035/step Wall: 3662.35, 0.00320035/step, 3.43344 hours remaining, 231.328125 MB of memory in use. ENERGY: 1137800 4040.9705 20450.4041 14622.8397 246.4802 -203704.4729 2870.6274 0.0000 0.0000 52170.0084 -109303.1426 299.8218 -161473.1509 -108943.9568 299.8302 125.6733 163.5368 761798.8898 1.0281 1.2069 PRESSURE: 1138000 -107.105 20.7549 179.214 20.7536 72.4059 -9.61436 179.214 -9.61451 -218.939 GPRESSURE: 1138000 -23.7777 -0.697725 160.039 239.51 20.3082 -11.6819 269.6 31.9564 -166.749 PRESSAVG: 1138000 49.0189 -21.8699 15.7663 -21.8699 -17.1299 33.0109 15.7663 33.011 -20.1381 GPRESSAVG: 1138000 50.01 -22.7676 11.7896 -23.8543 -17.8244 30.7776 17.4213 35.7039 -20.0123 TIMING: 1138000 CPU: 3662.99, 0.00319898/step Wall: 3662.99, 0.00319898/step, 3.43179 hours remaining, 231.328125 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: 1138000 3991.3835 20637.5834 14521.1601 266.2903 -203402.7469 2623.1033 0.0000 0.0000 52207.6438 -109155.5825 300.0380 -161363.2263 -108796.1277 300.2799 -84.5458 -56.7396 761338.8349 3.9170 4.0578 PRESSURE: 1138200 -57.422 138.131 -172.117 138.13 204.388 16.0096 -172.116 16.0102 -3.18656 GPRESSURE: 1138200 27.2054 150.398 -211.588 108.154 155.716 -70.5243 -200.86 32.6358 20.1971 PRESSAVG: 1138200 -16.2188 -25.454 -16.232 -25.454 20.4995 22.7269 -16.232 22.7269 20.5689 GPRESSAVG: 1138200 -16.3522 -25.796 -14.059 -23.7972 19.6664 23.6298 -18.1273 22.0325 21.226 TIMING: 1138200 CPU: 3663.63, 0.00319067/step Wall: 3663.63, 0.00319067/step, 3.4227 hours remaining, 231.328125 MB of memory in use. ENERGY: 1138200 4004.1045 20535.6533 14454.5257 237.7316 -203245.2700 2402.3553 0.0000 0.0000 52476.3592 -109134.5405 301.5824 -161610.8996 -108774.4429 300.5668 47.9266 67.7061 760821.7339 8.2832 8.1800 PRESSURE: 1138400 -198.671 32.556 27.0695 32.5563 -286.766 42.247 27.0688 42.2478 -228.718 GPRESSURE: 1138400 -115.577 -50.4744 52.8534 -29.5239 -245.012 -1.68966 84.6678 131.827 -261.482 PRESSAVG: 1138400 -1.57059 -48.9702 -21.3338 -48.9702 -4.28556 6.56306 -21.3338 6.56311 2.10523 GPRESSAVG: 1138400 -1.08627 -47.6337 -21.4515 -50.6237 -2.53047 4.49171 -21.7586 7.69256 0.576072 TIMING: 1138400 CPU: 3664.27, 0.00321313/step Wall: 3664.27, 0.00321313/step, 3.44662 hours remaining, 231.328125 MB of memory in use. ENERGY: 1138400 4013.0505 20501.9176 14527.9954 274.6834 -203620.2052 2801.9911 0.0000 0.0000 52117.7103 -109382.8568 299.5212 -161500.5671 -109018.2473 299.7496 -238.0515 -207.3571 762030.5646 -1.2503 -1.0136 PRESSURE: 1138600 238.816 4.85965 10.4653 4.85943 -75.9892 29.4477 10.464 29.4485 29.7566 GPRESSURE: 1138600 142.746 92.4623 -136.067 -5.15028 74.0324 70.2655 73.02 73.261 59.476 PRESSAVG: 1138600 -23.1628 -31.9342 46.8853 -31.9342 10.0596 -50.8498 46.8854 -50.8498 -4.3093 GPRESSAVG: 1138600 -24.0616 -32.0074 46.5586 -33.5573 10.9199 -50.4071 47.7767 -51.2344 -4.35578 TIMING: 1138600 CPU: 3664.92, 0.00322752/step Wall: 3664.92, 0.00322752/step, 3.46187 hours remaining, 231.328125 MB of memory in use. ENERGY: 1138600 3929.9381 20547.8230 14477.4971 265.4524 -203372.6793 2703.4718 0.0000 0.0000 51870.7663 -109577.7307 298.1020 -161448.4970 -109212.5601 299.0060 64.1945 92.0849 761718.3052 -5.8042 -5.8325 PRESSURE: 1138800 188.463 -167.057 -69.5161 -167.057 269.324 238.278 -69.5161 238.277 221.285 GPRESSURE: 1138800 272.963 -84.1567 -136.218 -191.777 286.134 235.326 36.8465 195.519 193.113 PRESSAVG: 1138800 21.634 -59.386 15.9938 -59.386 -11.689 -15.5636 15.9938 -15.5636 -2.94467 GPRESSAVG: 1138800 21.9999 -59.6844 17.5428 -59.6556 -12.8304 -15.8243 15.9673 -17.1598 -2.54089 TIMING: 1138800 CPU: 3665.56, 0.00323432/step Wall: 3665.56, 0.00323432/step, 3.46898 hours remaining, 231.328125 MB of memory in use. ENERGY: 1138800 3852.0434 20415.3023 14478.8142 256.8755 -203869.9909 3031.5060 0.0000 0.0000 52428.4393 -109407.0101 301.3070 -161835.4494 -109036.0404 298.8791 226.3575 250.7367 761017.6372 2.3334 2.2095 PRESSURE: 1139000 124.83 -242.784 -255.809 -242.783 -507.266 72.0228 -255.809 72.0236 -295.5 GPRESSURE: 1139000 118.759 -122.843 -186.698 -163.983 -448.13 110.319 -253.054 204.712 -269.306 PRESSAVG: 1139000 -0.0282398 -31.9133 -0.56954 -31.9133 -35.0577 -15.0491 -0.569498 -15.0491 -1.19965 GPRESSAVG: 1139000 -0.0103619 -31.7875 -1.14387 -27.7559 -35.4062 -15.4402 0.012688 -12.763 -1.15571 TIMING: 1139000 CPU: 3666.21, 0.00320613/step Wall: 3666.21, 0.00320613/step, 3.43857 hours remaining, 231.328125 MB of memory in use. ENERGY: 1139000 4008.1179 20618.4381 14503.9523 231.4750 -203196.4324 2233.3292 0.0000 0.0000 52016.1270 -109584.9928 298.9374 -161601.1198 -109229.2960 299.6045 -225.9784 -199.5592 761827.2564 -12.0952 -12.1908 PRESSURE: 1139200 133.053 -64.3417 248.637 -64.3418 142.062 -13.1615 248.637 -13.1621 -67.6101 GPRESSURE: 1139200 125.856 -40.0221 233.24 60.7707 228.486 1.91275 256.941 -125.528 -69.6329 PRESSAVG: 1139200 8.33173 -65.2185 17.0603 -65.2184 -38.7959 16.2926 17.0603 16.2926 -3.41831 GPRESSAVG: 1139200 7.38325 -64.375 15.84 -65.4592 -37.9922 17.7127 15.5208 12.8066 -3.0433 TIMING: 1139200 CPU: 3666.85, 0.00321725/step Wall: 3666.85, 0.00321725/step, 3.45032 hours remaining, 231.328125 MB of memory in use. ENERGY: 1139200 3936.7096 20555.4979 14434.0567 253.2171 -203622.6583 2505.0233 0.0000 0.0000 52294.3038 -109643.8499 300.5361 -161938.1537 -109273.3886 299.1777 69.1683 94.9031 760107.2615 -11.2942 -11.2174 PRESSURE: 1139400 26.3154 -84.0337 -109.749 -84.0344 370.178 200.101 -109.749 200.101 203.34 GPRESSURE: 1139400 154.891 -191.301 -25.8727 -87.8961 281.73 235.321 -86.5723 314.533 228.35 PRESSAVG: 1139400 -32.8813 -72.7264 33.9714 -72.7264 32.5998 -25.1887 33.9715 -25.1887 14.7813 GPRESSAVG: 1139400 -31.1301 -74.7824 37.1855 -73.5608 31.1416 -27.3155 34.9832 -21.3677 14.317 TIMING: 1139400 CPU: 3667.49, 0.0032196/step Wall: 3667.49, 0.0032196/step, 3.45266 hours remaining, 231.328125 MB of memory in use. ENERGY: 1139400 3968.1224 20641.5893 14512.0240 263.8523 -203624.5281 2487.4441 0.0000 0.0000 51921.8274 -109829.6685 298.3955 -161751.4959 -109466.1040 299.4555 199.9446 221.6571 759622.1907 4.8332 4.7762 PRESSURE: 1139600 219.306 108.867 139.253 108.867 25.9224 114.501 139.254 114.501 135.871 GPRESSURE: 1139600 178.597 128.318 200.284 180.066 73.567 122.802 9.30423 118.439 192.01 PRESSAVG: 1139600 4.45802 -7.83392 37.6587 -7.83393 51.3006 -10.8538 37.6587 -10.8539 -2.16272 GPRESSAVG: 1139600 3.8546 -8.08986 37.5798 -8.49789 52.3036 -9.82213 35.6601 -11.4375 -3.07755 TIMING: 1139600 CPU: 3668.13, 0.00318457/step Wall: 3668.13, 0.00318457/step, 3.41492 hours remaining, 231.328125 MB of memory in use. ENERGY: 1139600 3986.4054 20365.3019 14441.6573 249.3403 -203729.9353 2624.0305 0.0000 0.0000 52118.0589 -109945.1408 299.5232 -162063.1997 -109577.2840 298.9619 127.0331 148.0579 759136.7105 17.8653 17.6935 PRESSURE: 1139800 142.012 28.1411 199.919 28.141 -402.392 136.677 199.92 136.678 -147.588 GPRESSURE: 1139800 161.673 -68.2668 203.636 -73.3905 -276.227 99.6178 73.1683 136.602 -202.099 PRESSAVG: 1139800 -26.1455 48.2963 73.9213 48.2963 -19.3068 12.6062 73.9213 12.6062 6.97774 GPRESSAVG: 1139800 -25.9872 48.2732 72.4518 48.9879 -19.7207 13.7231 75.318 12.5463 7.72867 TIMING: 1139800 CPU: 3668.77, 0.00318684/step Wall: 3668.77, 0.00318684/step, 3.41718 hours remaining, 231.328125 MB of memory in use. ENERGY: 1139800 3954.2186 20580.0199 14478.2875 266.4173 -203284.8637 2242.8262 0.0000 0.0000 52168.8131 -109594.2812 299.8149 -161763.0943 -109233.6756 299.2499 -135.9894 -105.5509 760496.5223 -12.8248 -12.6598 PRESSURE: 1140000 -325.714 46.2062 -54.0758 46.2061 -55.4118 -141.053 -54.0756 -141.054 -127.175 GPRESSURE: 1140000 -276.512 53.6081 -63.5441 74.9723 -13.7132 -215.873 -93.2013 -169.07 -119.29 PRESSAVG: 1140000 -5.29561 38.2284 30.7304 38.2284 -11.6912 22.6074 30.7304 22.6074 -1.117 GPRESSAVG: 1140000 -5.45533 40.974 29.7392 36.2115 -11.788 21.2992 32.7706 21.3161 -0.556355 TIMING: 1140000 CPU: 3669.41, 0.00319457/step Wall: 3669.41, 0.00319457/step, 3.42528 hours remaining, 231.328125 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: 1140000 3945.2698 20481.2652 14539.0662 251.6491 -203448.2831 2389.5176 0.0000 0.0000 52222.6952 -109618.8201 300.1245 -161841.5153 -109251.5855 299.1926 -169.4334 -136.5052 761679.5893 -6.0346 -5.9332 PRESSURE: 1140200 476.506 -142.629 -121.765 -142.628 327.692 117.15 -121.766 117.15 -132.955 GPRESSURE: 1140200 409.79 -104.431 -161.118 -184.624 369.252 106.301 -39.2874 166.712 -51.6343 PRESSAVG: 1140200 39.7613 19.9497 35.5424 19.9497 4.47551 -31.3249 35.5424 -31.3251 -1.13999 GPRESSAVG: 1140200 39.5203 17.3447 34.7366 22.7207 4.58309 -31.3424 37.1745 -31.3687 -1.58287 TIMING: 1140200 CPU: 3670.06, 0.00325693/step Wall: 3670.06, 0.00325693/step, 3.49197 hours remaining, 231.328125 MB of memory in use. ENERGY: 1140200 3980.4735 20794.8579 14433.9821 247.6492 -203775.7131 2647.5440 0.0000 0.0000 51927.7935 -109743.4130 298.4297 -161671.2066 -109386.5791 299.1449 223.7477 242.4691 759488.1645 14.3656 14.1735 LDB: ============= START OF LOAD BALANCING ============== 3682.49 LDB: ============== END OF LOAD BALANCING =============== 3682.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3682.49 LDB: ============= START OF LOAD BALANCING ============== 3682.81 LDB: Largest compute 7069 load 0.035649 is 18.3% of average load 0.195286 LDB: Average compute 0.004398 is 2.3% of average load 0.195286 LDB: TIME 3682.82 LOAD: AVG 0.195286 MAX 0.212089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.93 MB LDB: TIME 3682.82 LOAD: AVG 0.195286 MAX 0.212089 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: TIME 3682.82 LOAD: AVG 0.195286 MAX 0.212089 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: ============== END OF LOAD BALANCING =============== 3682.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3682.82 PRESSURE: 1140400 -159.843 155.489 122.877 155.489 -231.105 169.289 122.878 169.288 -34.4131 GPRESSURE: 1140400 -107.563 98.0485 108.571 245.313 -240.25 228.229 160.725 221.19 -1.36382 PRESSAVG: 1140400 67.7099 -24.5621 -24.5384 -24.5621 -13.1928 -46.017 -24.5384 -46.017 16.0918 GPRESSAVG: 1140400 68.448 -22.8102 -23.5019 -26.4036 -12.8026 -46.8343 -27.3878 -43.8337 15.4245 TIMING: 1140400 CPU: 3670.72, 0.00329592/step Wall: 3670.72, 0.00329592/step, 3.53359 hours remaining, 231.652344 MB of memory in use. ENERGY: 1140400 4018.5160 20460.1810 14486.3550 256.7077 -203415.9022 2298.7340 0.0000 0.0000 52276.2985 -109619.1101 300.4326 -161895.4086 -109259.9094 299.4565 -141.7869 -116.3924 761069.2451 23.5363 23.6899 PRESSURE: 1140600 -167.602 -211.246 -12.128 -211.246 -287.054 227.092 -12.1275 227.092 -118.929 GPRESSURE: 1140600 -133.741 -148.43 7.49326 -176.059 -275.129 171.761 -81.9059 238.175 -64.4585 PRESSAVG: 1140600 67.8435 18.1041 -10.8971 18.1041 -57.6263 25.8263 -10.8972 25.8263 5.86568 GPRESSAVG: 1140600 67.5176 17.8368 -10.7414 18.7388 -57.9024 26.0097 -10.9558 27.1269 6.75515 TIMING: 1140600 CPU: 3671.36, 0.00320884/step Wall: 3671.36, 0.00320884/step, 3.44005 hours remaining, 231.652344 MB of memory in use. ENERGY: 1140600 3971.2151 20483.2648 14460.4284 252.0403 -203476.1340 2454.7933 0.0000 0.0000 51893.6663 -109960.7259 298.2336 -161854.3922 -109596.8818 299.0460 -191.1948 -157.7761 759862.2380 5.3609 5.4568 PRESSURE: 1140800 -69.4442 2.90343 39.1498 2.90338 -99.4803 146.772 39.1497 146.772 -111.946 GPRESSURE: 1140800 -19.4226 -102.386 38.6222 1.52414 64.3704 92.619 89.2363 149.33 -225.6 PRESSAVG: 1140800 -24.4439 -7.52652 -0.588673 -7.52654 -12.5634 23.8428 -0.588652 23.8429 18.7492 GPRESSAVG: 1140800 -23.5641 -6.83168 1.15185 -8.16127 -12.4431 24.3022 -1.58241 21.5707 17.7361 TIMING: 1140800 CPU: 3672, 0.003215/step Wall: 3672, 0.003215/step, 3.44649 hours remaining, 231.652344 MB of memory in use. ENERGY: 1140800 3946.3510 20438.2361 14479.2941 244.2095 -203253.0048 2259.7902 0.0000 0.0000 51842.6291 -110042.4948 297.9403 -161885.1239 -109668.3508 297.9446 -93.6235 -60.2175 759193.8678 -6.0860 -6.0904 PRESSURE: 1141000 -280.83 31.7786 -51.2311 31.7793 -188.541 -46.9963 -51.2311 -46.9958 -246.347 GPRESSURE: 1141000 -356.316 1.42055 -100.645 -48.756 -102 39.1357 -23.3824 38.8777 -147.19 PRESSAVG: 1141000 -20.6467 19.8653 16.6968 19.8653 -12.6517 35.9164 16.6968 35.9164 -3.45079 GPRESSAVG: 1141000 -21.318 20.6271 15.3878 20.0573 -13.115 37.0743 18.5634 36.3657 -2.15585 TIMING: 1141000 CPU: 3672.65, 0.0032256/step Wall: 3672.65, 0.0032256/step, 3.45767 hours remaining, 231.652344 MB of memory in use. ENERGY: 1141000 3970.3456 20512.7667 14372.5260 238.6997 -203181.5903 2238.9383 0.0000 0.0000 51890.5379 -109957.7762 298.2156 -161848.3140 -109604.7748 298.3479 -238.5725 -201.8351 758731.9709 -12.2497 -12.1963 PRESSURE: 1141200 -254.012 -328.63 -219.76 -328.629 -215.527 132.536 -219.76 132.537 -115.997 GPRESSURE: 1141200 -254.678 -274.119 -288.325 -241.923 -218.656 115.163 -104.226 78.1172 -46.7055 PRESSAVG: 1141200 -12.9068 -16.5408 -36.6522 -16.5408 14.6173 -31.7817 -36.6521 -31.7816 -14.9194 GPRESSAVG: 1141200 -14.2022 -15.5429 -36.7955 -17.4294 14.8339 -32.7265 -35.5873 -32.474 -14.8509 TIMING: 1141200 CPU: 3673.29, 0.00322873/step Wall: 3673.29, 0.00322873/step, 3.46084 hours remaining, 231.652344 MB of memory in use. ENERGY: 1141200 3954.6971 20575.1886 14424.0704 243.3574 -202802.1755 1971.6722 0.0000 0.0000 51866.6394 -109766.5505 298.0783 -161633.1899 -109398.6458 298.6672 -195.1785 -173.3465 758828.9509 -4.4030 -4.7397 PRESSURE: 1141400 -168.795 42.8993 -310.95 42.8996 -295.93 73.3127 -310.95 73.3129 50.1915 GPRESSURE: 1141400 -95.8438 -22.6759 -297.244 114.309 -287.299 85.0783 -306.99 185.074 40.2212 PRESSAVG: 1141400 16.3429 -44.6543 -16.4099 -44.6543 -34.2053 -18.0107 -16.4099 -18.0107 4.90644 GPRESSAVG: 1141400 16.959 -46.6655 -16.1557 -44.0675 -34.6543 -17.6572 -18.4225 -18.0988 4.78167 TIMING: 1141400 CPU: 3673.94, 0.00322538/step Wall: 3673.94, 0.00322538/step, 3.45707 hours remaining, 231.652344 MB of memory in use. ENERGY: 1141400 4020.8037 20616.4965 14417.3173 242.4138 -203580.0474 2391.1033 0.0000 0.0000 51973.3328 -109918.5800 298.6915 -161891.9128 -109562.7863 299.1289 -138.1777 -114.3072 760598.3639 -4.3186 -4.3045 PRESSURE: 1141600 168.069 -18.5175 62.6504 -18.5169 475.464 -30.6123 62.65 -30.6126 214.128 GPRESSURE: 1141600 235.118 16.8608 119.196 -67.3439 442.117 -47.7016 25.1621 -61.4909 269.748 PRESSAVG: 1141600 9.84677 -13.6943 -14.453 -13.6942 -24.7871 -8.94932 -14.453 -8.94932 22.3774 GPRESSAVG: 1141600 9.33535 -10.8092 -12.7527 -14.9656 -24.406 -8.4263 -16.0016 -8.12558 22.4411 TIMING: 1141600 CPU: 3674.58, 0.00323801/step Wall: 3674.58, 0.00323801/step, 3.47043 hours remaining, 231.652344 MB of memory in use. ENERGY: 1141600 4025.8536 20415.2727 14494.7186 245.0436 -203863.5453 2753.4996 0.0000 0.0000 52052.2023 -109876.9549 299.1447 -161929.1572 -109506.7107 298.7078 285.8872 315.6609 758581.1071 2.4790 2.4568 PRESSURE: 1141800 -140.93 -321.894 -207.645 -321.895 327.817 162.484 -207.646 162.485 8.33523 GPRESSURE: 1141800 -5.64994 -266.017 -262.166 -308.687 315.15 148.874 -216.922 136.575 -51.4253 PRESSAVG: 1141800 -21.7062 0.0651713 -24.2664 0.0650897 22.052 39.0747 -24.2664 39.0747 10.722 GPRESSAVG: 1141800 -20.3383 -2.15637 -25.1747 3.51659 21.0138 36.8389 -21.3905 38.9395 10.6699 TIMING: 1141800 CPU: 3675.23, 0.00322626/step Wall: 3675.23, 0.00322626/step, 3.45765 hours remaining, 231.652344 MB of memory in use. ENERGY: 1141800 4050.6535 20695.7376 14470.4046 248.8341 -203563.6765 2511.8138 0.0000 0.0000 51997.5716 -109588.6613 298.8308 -161586.2329 -109220.4908 298.9652 65.0741 86.0250 760145.2985 3.6893 3.7818 PRESSURE: 1142000 -376.409 -71.3955 283.797 -71.3956 -76.889 279.513 283.797 279.513 -241.983 GPRESSURE: 1142000 -340.437 -28.3076 223.491 -18.6335 -34.1727 288.059 182.046 241.747 -233.133 PRESSAVG: 1142000 18.4445 -71.9016 -29.3997 -71.9016 -23.8491 -4.33769 -29.3998 -4.33765 -3.49461 GPRESSAVG: 1142000 18.2666 -71.4718 -30.4045 -73.6455 -23.2789 -3.31932 -29.9823 -2.9144 -3.66357 TIMING: 1142000 CPU: 3675.87, 0.00321635/step Wall: 3675.87, 0.00321635/step, 3.44685 hours remaining, 231.652344 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: 1142000 4033.4706 20567.4128 14437.5891 254.1158 -203358.2152 2194.0017 0.0000 0.0000 51980.6696 -109890.9555 298.7336 -161871.6252 -109519.8623 299.3012 -231.7602 -202.5809 761785.4520 -2.9664 -2.8920 PRESSURE: 1142200 -268.826 -299.361 1.29931 -299.361 -234.026 -22.896 1.29996 -22.8944 74.7264 GPRESSURE: 1142200 -255.325 -268.773 -23.8462 -170.008 -194.932 43.9068 -71.0273 -65.3333 100.896 PRESSAVG: 1142200 -12.3618 -8.21733 -91.1114 -8.21732 36.2958 8.98609 -91.1114 8.98604 1.75008 GPRESSAVG: 1142200 -12.3894 -7.22273 -90.2727 -8.94023 35.6479 9.00294 -93.1787 7.79972 2.37351 TIMING: 1142200 CPU: 3676.52, 0.00323528/step Wall: 3676.52, 0.00323528/step, 3.46696 hours remaining, 231.652344 MB of memory in use. ENERGY: 1142200 4037.3791 20604.5520 14474.8383 248.9623 -203319.9876 2184.9446 0.0000 0.0000 51959.6979 -109809.6133 298.6131 -161769.3112 -109451.5066 298.6261 -142.7085 -116.4536 760935.5331 8.5614 8.5440 PRESSURE: 1142400 -376.45 -226.272 -154.453 -226.272 -217.634 79.3954 -154.454 79.3947 -363.461 GPRESSURE: 1142400 -302.074 -253.6 -130.002 -360.867 -226.191 1.50421 -171.788 3.68207 -352.116 PRESSAVG: 1142400 -17.959 -16.1366 -29.2749 -16.1366 -0.812233 27.9947 -29.275 27.9947 -25.35 GPRESSAVG: 1142400 -17.3981 -16.3093 -27.8857 -14.5466 -0.95764 28.7581 -29.2507 27.1958 -25.5706 TIMING: 1142400 CPU: 3677.16, 0.00321196/step Wall: 3677.16, 0.00321196/step, 3.44179 hours remaining, 231.652344 MB of memory in use. ENERGY: 1142400 4022.6851 20542.0540 14474.5517 223.5709 -203602.5959 2262.4037 0.0000 0.0000 52304.4945 -109772.8360 300.5946 -162077.3305 -109406.9524 298.5677 -319.1817 -293.4603 760249.7376 -14.7071 -14.6421 PRESSURE: 1142600 371.754 100.463 -158.148 100.462 92.2053 283.305 -158.148 283.305 -81.5947 GPRESSURE: 1142600 443.651 94.0211 -198.054 134.065 102.678 314.843 -183.304 198.079 -91.2839 PRESSAVG: 1142600 -51.0961 -33.1944 3.35808 -33.1943 76.33 -1.48319 3.35805 -1.48326 -3.86148 GPRESSAVG: 1142600 -52.0593 -36.0839 2.06895 -30.8855 76.7821 -1.84584 3.95661 -1.12412 -4.26007 TIMING: 1142600 CPU: 3677.8, 0.00319846/step Wall: 3677.8, 0.00319846/step, 3.42715 hours remaining, 231.652344 MB of memory in use. ENERGY: 1142600 3952.6676 20424.8515 14567.2597 255.0152 -203552.2010 2645.9161 0.0000 0.0000 52077.5299 -109628.9610 299.2903 -161706.4909 -109265.3686 298.8401 127.4548 151.6817 760210.6125 7.1242 6.8209 PRESSURE: 1142800 54.1624 -118.221 57.0166 -118.22 -353.528 -147.49 57.0167 -147.49 104.312 GPRESSURE: 1142800 218.78 -58.3113 21.9888 -159.59 -355.198 -201.75 64.6907 -105.952 55.5373 PRESSAVG: 1142800 -2.75703 -28.7817 -23.9257 -28.7818 0.219606 61.0274 -23.9256 61.0274 -14.1726 GPRESSAVG: 1142800 -1.98881 -26.8547 -23.9141 -30.6428 -0.876462 60.3606 -23.2055 64.0232 -13.7022 TIMING: 1142800 CPU: 3678.45, 0.0032627/step Wall: 3678.45, 0.0032627/step, 3.4958 hours remaining, 231.652344 MB of memory in use. ENERGY: 1142800 3928.7670 20427.9331 14466.0731 248.6620 -203136.5791 2455.9772 0.0000 0.0000 51918.9428 -109690.2238 298.3789 -161609.1667 -109322.4296 298.7597 -65.0178 -26.9603 758206.3421 -5.5700 -5.5225 PRESSURE: 1143000 263.846 88.2512 95.5032 88.2513 159.42 70.6192 95.5045 70.6186 -21.5142 GPRESSURE: 1143000 223.358 80.5671 65.5276 133.851 294.091 50.9425 139.912 40.8857 -23.8432 PRESSAVG: 1143000 30.8924 -35.0595 -47.9348 -35.0594 -25.7442 21.2976 -47.9348 21.2975 20.8464 GPRESSAVG: 1143000 28.9582 -35.3865 -48.5487 -37.5231 -23.7482 21.7602 -48.1854 20.1463 21.3807 TIMING: 1143000 CPU: 3679.1, 0.00324334/step Wall: 3679.1, 0.00324334/step, 3.47488 hours remaining, 231.652344 MB of memory in use. ENERGY: 1143000 4031.7031 20499.2278 14500.1506 231.9147 -203329.8757 2594.9568 0.0000 0.0000 51833.3010 -109638.6216 297.8867 -161471.9226 -109290.3604 299.0204 133.9170 164.5354 761241.4634 8.6649 8.8636 PRESSURE: 1143200 -250.16 -322.872 -38.2611 -322.872 273.208 -112.527 -38.2602 -112.528 273.429 GPRESSURE: 1143200 -83.666 -390.474 -60.9278 -259.99 213.462 -151.393 -130.589 -59.9338 255.436 PRESSAVG: 1143200 5.43883 -18.7923 -14.1292 -18.7923 -56.0917 32.3343 -14.1292 32.3344 -28.1178 GPRESSAVG: 1143200 6.32939 -19.5606 -15.6339 -15.9844 -56.9583 33.6247 -12.5975 30.8144 -27.8727 TIMING: 1143200 CPU: 3679.75, 0.00323058/step Wall: 3679.75, 0.00323058/step, 3.46103 hours remaining, 231.652344 MB of memory in use. ENERGY: 1143200 3952.8157 20581.8577 14454.7270 245.5381 -203079.0180 2444.5045 0.0000 0.0000 52060.9398 -109338.6351 299.1949 -161399.5749 -108984.6170 299.1224 98.8255 128.4104 760527.7679 -26.2569 -26.1672 PRESSURE: 1143400 151.45 -65.4397 110.131 -65.4401 -140.531 228.497 110.13 228.497 -215.428 GPRESSURE: 1143400 153.681 -106.465 143.645 -49.7182 -100.463 137.421 37.9164 165.78 -181.945 PRESSAVG: 1143400 49.8787 -34.735 -52.0748 -34.7349 -90.1113 58.5236 -52.0748 58.5236 -2.56882 GPRESSAVG: 1143400 48.6486 -33.8536 -50.1266 -36.6147 -89.3796 56.9735 -53.0194 57.1778 -2.1163 TIMING: 1143400 CPU: 3680.39, 0.00322487/step Wall: 3680.39, 0.00322487/step, 3.45473 hours remaining, 231.652344 MB of memory in use. ENERGY: 1143400 3998.0226 20638.1751 14458.9473 260.1964 -203128.1367 2548.7083 0.0000 0.0000 52061.2771 -109162.8100 299.1969 -161224.0871 -108803.9522 299.6400 -68.1697 -42.9088 761367.8365 -14.2671 -14.2824 PRESSURE: 1143600 -26.8076 -147.51 273.003 -147.511 56.7595 198.036 273.002 198.036 -153.247 GPRESSURE: 1143600 -9.04001 -111.289 236.856 -96.2996 123.135 187.422 88.5983 193.218 -159.514 PRESSAVG: 1143600 83.6776 7.77147 14.7718 7.77145 -74.2749 20.1818 14.7718 20.1818 -4.65916 GPRESSAVG: 1143600 84.8549 8.49516 14.862 7.30816 -74.7036 19.812 14.6373 22.7555 -5.22602 TIMING: 1143600 CPU: 3681.03, 0.00319595/step Wall: 3681.03, 0.00319595/step, 3.42357 hours remaining, 231.652344 MB of memory in use. ENERGY: 1143600 3932.5234 20375.9630 14446.6312 270.8061 -203318.0561 2482.2112 0.0000 0.0000 52259.3751 -109550.5461 300.3353 -161809.9212 -109181.5041 299.6802 -41.0983 -15.1397 761100.4425 1.5812 1.6418 PRESSURE: 1143800 20.3859 -86.264 -95.5177 -86.2637 -15.209 98.6358 -95.5172 98.6366 279.457 GPRESSURE: 1143800 70.5898 -208.37 -71.3567 -134.59 -26.6738 22.3586 -60.9287 14.6167 329.665 PRESSAVG: 1143800 15.8921 -7.4449 5.99965 -7.44494 -13.3153 35.2912 5.99965 35.2912 -1.76227 GPRESSAVG: 1143800 16.5717 -10.0707 5.55294 -8.16552 -14.2359 34.9641 5.5236 34.7629 -1.23583 TIMING: 1143800 CPU: 3681.67, 0.00317917/step Wall: 3681.67, 0.00317917/step, 3.40542 hours remaining, 231.652344 MB of memory in use. ENERGY: 1143800 3963.8793 20402.4000 14455.8606 241.3569 -203514.8670 2521.3242 0.0000 0.0000 52185.9262 -109744.1198 299.9132 -161930.0461 -109384.0587 299.2581 94.8779 124.5270 759591.1183 0.2715 0.3667 PRESSURE: 1144000 33.2973 -45.9651 60.7596 -45.9648 -132.835 -37.8867 60.7593 -37.8853 -91.8099 GPRESSURE: 1144000 31.6352 -114.468 50.3018 -30.1816 -67.4717 -72.2005 37.047 -46.3512 -114.949 PRESSAVG: 1144000 51.8975 -97.1077 28.6318 -97.1077 -30.7453 11.2435 28.6318 11.2434 30.4253 GPRESSAVG: 1144000 50.6889 -95.2111 28.4378 -95.4294 -29.6904 11.5935 29.4468 10.9564 30.2572 TIMING: 1144000 CPU: 3682.31, 0.00318919/step Wall: 3682.31, 0.00318919/step, 3.41598 hours remaining, 231.652344 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: 1144000 4017.9718 20510.4502 14471.7330 224.8067 -203156.4528 2446.4200 0.0000 0.0000 51913.5001 -109571.5710 298.3476 -161485.0711 -109211.8522 299.1745 -63.7824 -50.2620 759342.1708 17.1925 17.0852 PRESSURE: 1144200 190.709 -227.341 -127.823 -227.342 247.41 30.4287 -127.824 30.4302 301.471 GPRESSURE: 1144200 333.855 -247.785 -132.014 -206.237 229.363 -58.4579 -304.713 94.4615 269.591 PRESSAVG: 1144200 -12.6597 -35.089 -28.2344 -35.089 29.3349 -26.6037 -28.2345 -26.6037 -29.6369 GPRESSAVG: 1144200 -12.4012 -34.5997 -28.0253 -37.3757 28.1759 -25.9399 -30.0721 -28.228 -28.6709 TIMING: 1144200 CPU: 3682.94, 0.00316921/step Wall: 3682.94, 0.00316921/step, 3.3944 hours remaining, 231.652344 MB of memory in use. ENERGY: 1144200 4043.9880 20336.6878 14401.0050 248.6323 -203044.1294 2638.1678 0.0000 0.0000 51912.4255 -109463.2230 298.3414 -161375.6485 -109107.7725 299.2217 246.5300 277.6031 760742.4106 -4.3206 -4.2987 LDB: ============= START OF LOAD BALANCING ============== 3695.37 LDB: ============== END OF LOAD BALANCING =============== 3695.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3695.37 LDB: ============= START OF LOAD BALANCING ============== 3695.69 LDB: Largest compute 7034 load 0.036179 is 18.5% of average load 0.195209 LDB: Average compute 0.004405 is 2.3% of average load 0.195209 LDB: TIME 3695.69 LOAD: AVG 0.195209 MAX 0.212414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.902 MB LDB: TIME 3695.69 LOAD: AVG 0.195209 MAX 0.212414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.902 MB LDB: TIME 3695.69 LOAD: AVG 0.195209 MAX 0.212414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.902 MB LDB: ============== END OF LOAD BALANCING =============== 3695.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3695.7 PRESSURE: 1144400 35.8666 38.6603 -75.9782 38.6602 -107.933 -268.248 -75.9785 -268.249 -53.9846 GPRESSURE: 1144400 32.0065 25.7464 -3.64478 115.885 -26.1412 -223.3 -6.74091 -194.838 -63.0325 PRESSAVG: 1144400 -8.1573 2.22129 -23.2774 2.22127 -32.228 -10.9131 -23.2774 -10.913 29.5416 GPRESSAVG: 1144400 -7.02038 3.47347 -23.2912 3.56471 -31.4971 -11.2403 -20.4027 -8.54619 28.0773 TIMING: 1144400 CPU: 3683.59, 0.00325073/step Wall: 3683.59, 0.00325073/step, 3.48153 hours remaining, 230.785156 MB of memory in use. ENERGY: 1144400 3951.6921 20565.5866 14436.9293 248.2592 -202833.8548 2265.2484 0.0000 0.0000 51946.6497 -109419.4895 298.5381 -161366.1392 -109057.6058 299.1318 -42.0168 -19.0557 761039.8131 -3.6145 -3.4800 PRESSURE: 1144600 -269.942 114.082 -106.727 114.083 -165.423 228.263 -106.727 228.264 -152.713 GPRESSURE: 1144600 -241.211 21.5162 -115.972 -38.5659 -136.993 164.784 -147.947 191.711 -142.88 PRESSAVG: 1144600 25.4534 -54.8074 -2.03003 -54.8073 -7.04141 32.795 -2.03 32.795 -0.25478 GPRESSAVG: 1144600 24.8089 -55.4888 -1.19966 -55.7615 -7.56231 32.7715 -3.61783 32.3301 0.178759 TIMING: 1144600 CPU: 3684.23, 0.00319901/step Wall: 3684.23, 0.00319901/step, 3.42596 hours remaining, 231.281250 MB of memory in use. ENERGY: 1144600 4085.6584 20522.7023 14364.7361 230.9569 -202908.1131 2400.8021 0.0000 0.0000 51772.4340 -109530.8233 297.5369 -161303.2573 -109172.2624 298.6196 -196.0258 -173.6946 761510.9081 6.0524 5.8085 PRESSURE: 1144800 49.7164 90.0244 91.5748 90.0251 -376.922 -196.557 91.5752 -196.557 114.046 GPRESSURE: 1144800 90.705 166.815 121.081 45.9191 -285.759 -175.158 -21.6699 -117.925 65.4569 PRESSAVG: 1144800 -14.7632 -11.8592 4.59747 -11.8592 32.592 -8.12971 4.59744 -8.12971 -14.5702 GPRESSAVG: 1144800 -15.1625 -13.2731 4.67276 -9.8996 32.104 -5.0118 4.59874 -11.5633 -14.8116 TIMING: 1144800 CPU: 3684.87, 0.00320027/step Wall: 3684.87, 0.00320027/step, 3.42713 hours remaining, 231.351562 MB of memory in use. ENERGY: 1144800 3978.8298 20429.5406 14434.9029 252.8835 -203376.9341 2477.0315 0.0000 0.0000 52226.3493 -109577.3965 300.1455 -161803.7458 -109214.0596 299.1021 -71.0530 -43.1992 761280.6458 1.0862 0.7099 PRESSURE: 1145000 -158.203 202.048 -28.1452 202.049 155.687 -30.1278 -28.1446 -30.1277 -139.164 GPRESSURE: 1145000 -119.296 168.698 51.5109 179.375 153.258 -53.4935 25.7331 -69.0286 -87.3168 PRESSAVG: 1145000 27.1504 8.0316 3.46526 8.03167 -45.1257 -41.2431 3.46533 -41.2431 19.4032 GPRESSAVG: 1145000 26.8473 8.8465 3.62849 4.01017 -43.7167 -42.245 4.20108 -39.129 18.7465 TIMING: 1145000 CPU: 3685.51, 0.00319044/step Wall: 3685.51, 0.00319044/step, 3.41643 hours remaining, 231.351562 MB of memory in use. ENERGY: 1145000 4018.8579 20468.4435 14377.0854 249.2129 -203004.4854 2509.3845 0.0000 0.0000 52225.1756 -109156.3257 300.1388 -161381.5013 -108793.7710 299.2860 -47.2266 -17.7850 762496.7958 0.4759 0.6257 PRESSURE: 1145200 -272.687 4.65109 -203.721 4.6507 -34.3239 2.98839 -203.721 2.98824 -276.943 GPRESSURE: 1145200 -266.22 -116.483 -123.061 77.6193 -40.4193 -40.86 -271.876 166.335 -209.465 PRESSAVG: 1145200 17.1891 -18.9532 -16.4053 -18.9532 -10.1373 -49.3298 -16.4052 -49.3299 -21.0299 GPRESSAVG: 1145200 17.6739 -18.5831 -17.7057 -16.5469 -11.5988 -49.8571 -15.4275 -48.4593 -21.2435 TIMING: 1145200 CPU: 3686.15, 0.00320725/step Wall: 3686.15, 0.00320725/step, 3.43425 hours remaining, 231.339844 MB of memory in use. ENERGY: 1145200 3989.6361 20456.3904 14454.7441 231.5244 -202624.2788 2130.2124 0.0000 0.0000 52106.7522 -109255.0193 299.4582 -161361.7715 -108893.4661 299.4852 -194.6513 -172.0348 761948.6269 -4.6594 -5.0561 PRESSURE: 1145400 64.9358 -76.4868 70.5405 -76.4864 -111.403 29.6067 70.5406 29.6063 -16.0284 GPRESSURE: 1145400 37.6947 -9.55735 0.717446 -55.9629 19.8908 42.6268 111.49 -38.3549 -28.4789 PRESSAVG: 1145400 3.88966 -21.0965 36.7362 -21.0965 -22.9369 21.5099 36.7362 21.51 0.0807913 GPRESSAVG: 1145400 2.6816 -20.9509 37.2922 -20.7722 -22.0367 20.4716 35.9191 22.7396 0.0630883 TIMING: 1145400 CPU: 3686.79, 0.00318887/step Wall: 3686.79, 0.00318887/step, 3.41439 hours remaining, 231.351562 MB of memory in use. ENERGY: 1145400 3968.2889 20477.4854 14432.7058 250.8948 -202868.1043 2468.4112 0.0000 0.0000 52123.6154 -109146.7029 299.5551 -161270.3182 -108790.5240 299.2912 -20.8320 9.7022 760674.3135 -6.3222 -6.4307 PRESSURE: 1145600 -186.955 76.5347 315.998 76.5345 154.854 -180.834 315.998 -180.833 37.8278 GPRESSURE: 1145600 -92.5682 -16.2349 347.489 0.836205 101.518 -167.102 121.944 -68.6347 70.8123 PRESSAVG: 1145600 -5.07248 -51.7467 23.2618 -51.7466 20.7556 -27.2569 23.2618 -27.2568 7.04904 GPRESSAVG: 1145600 -4.70278 -51.2843 22.2138 -52.8673 19.644 -27.547 22.3482 -28.7253 8.00807 TIMING: 1145600 CPU: 3687.43, 0.00320719/step Wall: 3687.43, 0.00320719/step, 3.43383 hours remaining, 231.351562 MB of memory in use. ENERGY: 1145600 4001.3703 20719.9479 14456.5443 214.6446 -202966.9472 2413.9709 0.0000 0.0000 52154.0803 -109006.3889 299.7302 -161160.4691 -108657.9872 299.8139 1.9090 26.5875 760460.0847 7.5774 7.6498 PRESSURE: 1145800 -347.141 -41.5861 180.021 -41.5861 -1.50399 133.397 180.021 133.396 131.646 GPRESSURE: 1145800 -353.681 81.0904 187.165 -51.4902 47.6433 85.5064 116.464 189.812 182.758 PRESSAVG: 1145800 -32.2439 -22.9363 54.9575 -22.9362 10.106 26.4137 54.9574 26.4137 -5.77684 GPRESSAVG: 1145800 -33.2284 -22.1609 56.1752 -22.6815 11.2709 26.8705 53.3329 26.7598 -5.83359 TIMING: 1145800 CPU: 3688.07, 0.00318498/step Wall: 3688.07, 0.00318498/step, 3.40987 hours remaining, 231.351562 MB of memory in use. ENERGY: 1145800 4017.9587 20554.4565 14481.1746 258.7792 -202762.4724 2402.5779 0.0000 0.0000 52187.4134 -108860.1121 299.9218 -161047.5255 -108497.3827 300.4522 -72.3329 -41.0934 761299.5779 -9.3049 -9.2637 PRESSURE: 1146000 -86.8999 103.682 -133.168 103.681 80.8045 27.1007 -133.167 27.0985 225.559 GPRESSURE: 1146000 -22.3147 -27.4862 -56.9896 54.5236 37.5002 51.2749 -34.7839 220.829 274.211 PRESSAVG: 1146000 -53.4511 -2.9962 61.6907 -2.99618 7.52398 27.0894 61.6907 27.0894 8.08177 GPRESSAVG: 1146000 -53.3472 -3.02433 60.1529 -2.33293 7.13958 26.9476 64.4401 25.0686 7.89562 TIMING: 1146000 CPU: 3688.71, 0.00319506/step Wall: 3688.71, 0.00319506/step, 3.42049 hours remaining, 231.351562 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: 1146000 3992.6292 20433.1889 14470.2445 259.3222 -202730.0183 2260.6395 0.0000 0.0000 52357.3159 -108956.6781 300.8982 -161313.9940 -108585.8054 300.4881 73.1544 96.4655 762685.2047 -12.6151 -12.7707 PRESSURE: 1146200 16.2768 -62.8776 -86.8594 -62.8779 -115.272 15.948 -86.8589 15.9475 20.0293 GPRESSURE: 1146200 119.704 -108.361 -61.6408 -94.5998 -121.462 110.76 -23.9507 36.3854 9.5851 PRESSAVG: 1146200 6.47455 -48.7707 -8.332 -48.7708 -14.4953 31.2009 -8.33198 31.2009 15.2299 GPRESSAVG: 1146200 7.83188 -50.8252 -5.71592 -46.0041 -15.0909 31.7129 -9.8189 33.0591 14.7557 TIMING: 1146200 CPU: 3689.34, 0.0031936/step Wall: 3689.34, 0.0031936/step, 3.41875 hours remaining, 231.351562 MB of memory in use. ENERGY: 1146200 3932.8396 20587.8854 14370.6376 238.3440 -202978.2140 2501.0708 0.0000 0.0000 52426.5939 -108920.8427 301.2964 -161347.4367 -108555.3240 300.4701 -26.3220 2.6090 759958.2388 2.4030 2.4989 PRESSURE: 1146400 -13.4529 -226.845 58.7773 -226.845 -65.7209 221.174 58.7775 221.174 -281.58 GPRESSURE: 1146400 -7.77823 -185.664 28.409 -190.35 -46.932 186.522 84.6577 125.488 -202.206 PRESSAVG: 1146400 8.74003 -65.3113 3.63268 -65.3112 -15.9989 -20.0334 3.63266 -20.0334 0.602777 GPRESSAVG: 1146400 7.77644 -63.8488 1.45402 -68.252 -15.8589 -20.4424 5.03736 -19.2317 0.827603 TIMING: 1146400 CPU: 3689.98, 0.00317997/step Wall: 3689.98, 0.00317997/step, 3.40398 hours remaining, 231.351562 MB of memory in use. ENERGY: 1146400 3980.6361 20456.4672 14444.0534 249.0006 -202697.4471 2254.9792 0.0000 0.0000 52093.1103 -109219.2003 299.3798 -161312.3106 -108866.1646 300.1363 -120.2512 -85.6386 760796.6677 -2.2187 -2.4183 PRESSURE: 1146600 22.7325 113.384 -267.803 113.384 -207.86 -125.001 -267.803 -125.002 -234.68 GPRESSURE: 1146600 57.8513 119.557 -348.037 121.376 -157.309 -109.031 -239.567 -160.116 -196.12 PRESSAVG: 1146600 91.3385 -25.3574 -28.6158 -25.3574 -34.8064 -26.2904 -28.6158 -26.2904 8.03523 GPRESSAVG: 1146600 91.0577 -26.4727 -26.7178 -25.1348 -34.5357 -26.1483 -30.8832 -27.2321 8.00905 TIMING: 1146600 CPU: 3690.62, 0.00320071/step Wall: 3690.62, 0.00320071/step, 3.42601 hours remaining, 231.351562 MB of memory in use. ENERGY: 1146600 3933.1513 20495.3250 14493.8446 240.5449 -203244.6441 2569.9009 0.0000 0.0000 52408.3615 -109103.5159 301.1916 -161511.8774 -108744.4516 300.4207 -139.9359 -98.5260 760537.2328 21.5224 21.5103 PRESSURE: 1146800 160.809 -57.7791 196.932 -57.7797 98.5263 116.865 196.932 116.864 -173.988 GPRESSURE: 1146800 203.104 -150.811 182.457 -106.886 133.483 9.00538 195.606 154.717 -153.204 PRESSAVG: 1146800 -28.0831 -50.1133 2.85786 -50.1134 18.8926 -29.9209 2.85786 -29.9209 -7.79269 GPRESSAVG: 1146800 -27.844 -50.3584 3.47109 -48.3721 18.2731 -29.4626 1.0184 -29.9181 -7.8535 TIMING: 1146800 CPU: 3691.26, 0.00317578/step Wall: 3691.26, 0.00317578/step, 3.39914 hours remaining, 231.351562 MB of memory in use. ENERGY: 1146800 4020.1682 20574.3161 14490.1236 262.1836 -203100.9427 2637.0810 0.0000 0.0000 51999.0131 -109118.0572 298.8390 -161117.0703 -108750.8234 300.1766 28.4492 61.1276 760156.4738 -5.6611 -5.8081 PRESSURE: 1147000 384.908 11.3667 212.839 11.3666 33.1254 -24.9893 212.839 -24.9886 -255.536 GPRESSURE: 1147000 350.667 15.5833 276.902 30.5418 47.9017 -92.2197 223.625 -32.6445 -161.241 PRESSAVG: 1147000 14.1751 -65.8318 5.82533 -65.8317 -38.0361 28.2249 5.82538 28.225 5.41462 GPRESSAVG: 1147000 13.8876 -64.294 4.52505 -66.3324 -38.1108 27.9657 7.76301 28.3171 5.71309 TIMING: 1147000 CPU: 3691.89, 0.00319311/step Wall: 3691.89, 0.00319311/step, 3.41751 hours remaining, 231.351562 MB of memory in use. ENERGY: 1147000 4013.1145 20469.4338 14457.5394 270.3937 -202590.3628 2108.9448 0.0000 0.0000 51967.4831 -109303.4535 298.6578 -161270.9366 -108939.6708 299.3463 54.1657 79.1093 759709.0533 -6.1488 -6.1700 PRESSURE: 1147200 -91.0408 -91.7232 -88.91 -91.7224 108.288 -26.6569 -88.9109 -26.6574 88.4678 GPRESSURE: 1147200 18.172 -124.365 -103.007 8.00638 61.2252 11.7987 7.7857 -29.0924 103.577 PRESSAVG: 1147200 37.0738 -41.6707 5.61112 -41.6707 19.4808 19.1152 5.61108 19.1152 6.8551 GPRESSAVG: 1147200 37.2108 -42.2895 4.16438 -41.4884 19.0554 18.0202 7.39144 18.1408 6.82164 TIMING: 1147200 CPU: 3692.53, 0.00318661/step Wall: 3692.53, 0.00318661/step, 3.41038 hours remaining, 231.351562 MB of memory in use. ENERGY: 1147200 4031.9199 20377.7736 14504.8558 244.1017 -202926.4109 2278.3961 0.0000 0.0000 52160.6542 -109328.7094 299.7680 -161489.3637 -108962.9839 299.6064 35.2385 60.9913 760805.9552 21.1366 21.0293 PRESSURE: 1147400 -115.759 -124.602 31.1341 -124.602 -183.679 -217.302 31.1339 -217.302 528.238 GPRESSURE: 1147400 -113.646 -138.163 -16.7137 -144.685 -119.44 -203.608 45.0549 -220.856 547.252 PRESSAVG: 1147400 -69.7836 -26.9901 27.0084 -26.99 55.4731 14.9605 27.0084 14.9606 -1.08451 GPRESSAVG: 1147400 -69.5085 -27.4353 29.4478 -28.3965 54.3755 14.9953 25.4106 14.466 -0.493597 TIMING: 1147400 CPU: 3693.18, 0.00321699/step Wall: 3693.18, 0.00321699/step, 3.44271 hours remaining, 231.351562 MB of memory in use. ENERGY: 1147400 3987.9352 20505.3293 14443.6726 247.9212 -202703.0139 2139.9463 0.0000 0.0000 51978.4912 -109399.7181 298.7211 -161378.2092 -109041.7904 299.1868 76.2668 104.7223 760257.1263 -5.1317 -5.2088 PRESSURE: 1147600 -483.45 27.7012 28.0316 27.701 -189.259 -27.4229 28.0314 -27.4231 43.4822 GPRESSURE: 1147600 -388.15 28.6806 3.24136 -7.86083 -92.7606 -12.9137 158.885 -91.3217 -64.2474 PRESSAVG: 1147600 -38.5572 -9.50593 17.7039 -9.50599 18.4007 17.0052 17.7039 17.0051 -9.33279 GPRESSAVG: 1147600 -38.5764 -8.97151 15.692 -8.98465 19.8375 16.0898 20.6286 20.273 -10.1707 TIMING: 1147600 CPU: 3693.82, 0.00323814/step Wall: 3693.82, 0.00323814/step, 3.46517 hours remaining, 231.351562 MB of memory in use. ENERGY: 1147600 3967.4289 20433.7443 14457.6465 255.0900 -202946.5290 2188.1645 0.0000 0.0000 52010.5645 -109633.8903 298.9054 -161644.4547 -109264.2966 298.8482 -209.7423 -181.7193 760827.3821 -9.8297 -9.6365 PRESSURE: 1147800 7.23405 26.7487 67.104 26.7482 -141.44 -22.357 67.1046 -22.3581 26.153 GPRESSURE: 1147800 46.1112 64.5925 56.3519 36.7458 -95.833 -33.8434 49.6237 -156.984 20.2272 PRESSAVG: 1147800 -38.5445 -60.1737 8.09699 -60.1737 40.3616 19.1679 8.09693 19.1679 14.3844 GPRESSAVG: 1147800 -39.0108 -61.4161 9.08597 -59.3303 40.6254 20.1277 6.65356 18.9669 14.6828 TIMING: 1147800 CPU: 3694.46, 0.00319579/step Wall: 3694.46, 0.00319579/step, 3.41967 hours remaining, 231.351562 MB of memory in use. ENERGY: 1147800 3988.7205 20509.5035 14436.6278 255.2352 -203502.1495 2523.3058 0.0000 0.0000 52040.4128 -109748.3438 299.0770 -161788.7566 -109385.3983 299.3795 -36.0176 -9.8315 760202.9650 5.4005 5.4325 PRESSURE: 1148000 -412.605 -177.241 -411.309 -177.242 -81.3105 240.694 -411.308 240.694 -228.71 GPRESSURE: 1148000 -223.672 -159.927 -369.532 -195.262 -148.986 249.842 -260.322 270.31 -254.788 PRESSAVG: 1148000 -87.3994 -51.7272 22.0889 -51.7272 90.4449 -28.2261 22.089 -28.2261 -24.3827 GPRESSAVG: 1148000 -84.8486 -52.3695 23.1678 -51.6887 88.7111 -29.174 20.7735 -29.6313 -24.4634 TIMING: 1148000 CPU: 3695.11, 0.00321337/step Wall: 3695.11, 0.00321337/step, 3.43831 hours remaining, 231.351562 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: 1148000 4021.7849 20356.8273 14417.7836 237.6024 -203764.3252 2589.9531 0.0000 0.0000 52388.7307 -109751.6432 301.0788 -162140.3739 -109384.0294 299.1344 -240.8751 -209.1491 760895.8792 -7.1124 -6.8670 PRESSURE: 1148200 130.513 107.379 -11.0945 107.379 -256.827 226.703 -11.0951 226.705 250.128 GPRESSURE: 1148200 128.281 -49.0113 -27.2264 168.79 -152.084 217.708 15.3729 235.664 228.162 PRESSAVG: 1148200 -35.1521 -34.1049 14.5553 -34.105 -14.1889 18.894 14.5553 18.8939 -21.1342 GPRESSAVG: 1148200 -36.1059 -33.4693 13.7424 -35.1467 -12.2901 19.7512 15.0561 19.9833 -21.5185 TIMING: 1148200 CPU: 3695.75, 0.0032014/step Wall: 3695.75, 0.0032014/step, 3.42532 hours remaining, 231.351562 MB of memory in use. ENERGY: 1148200 3899.5377 20587.8537 14489.4071 251.3844 -203331.6938 2314.0236 0.0000 0.0000 51942.9797 -109846.5074 298.5170 -161789.4872 -109487.5048 298.9118 41.2713 68.1198 761166.9443 -23.4917 -23.3048 LDB: ============= START OF LOAD BALANCING ============== 3708.17 LDB: ============== END OF LOAD BALANCING =============== 3708.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3708.17 LDB: ============= START OF LOAD BALANCING ============== 3708.49 LDB: Largest compute 7033 load 0.035013 is 17.9% of average load 0.195269 LDB: Average compute 0.004404 is 2.3% of average load 0.195269 LDB: TIME 3708.49 LOAD: AVG 0.195269 MAX 0.216741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.555 MB LDB: TIME 3708.5 LOAD: AVG 0.195269 MAX 0.216741 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: TIME 3708.5 LOAD: AVG 0.195269 MAX 0.216741 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: ============== END OF LOAD BALANCING =============== 3708.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3708.5 PRESSURE: 1148400 142.629 -125.922 177.128 -125.921 62.8738 122.497 177.129 122.496 4.42565 GPRESSURE: 1148400 230.993 -41.16 149.277 -76.5431 95.2458 175.144 36.7802 73.9366 -28.8492 PRESSAVG: 1148400 39.6022 -86.4172 -10.2587 -86.4171 -25.79 64.0775 -10.2587 64.0775 1.39435 GPRESSAVG: 1148400 39.9554 -86.2105 -11.8302 -85.9896 -26.2047 64.4819 -8.84054 61.2607 1.4956 TIMING: 1148400 CPU: 3696.4, 0.00325415/step Wall: 3696.4, 0.00325415/step, 3.48158 hours remaining, 231.808594 MB of memory in use. ENERGY: 1148400 3927.7511 20464.4211 14474.4530 246.8684 -203285.5244 2468.2280 0.0000 0.0000 51821.3442 -109882.4585 297.8180 -161703.8027 -109517.1799 298.5536 69.9763 99.1297 760044.0397 5.0688 5.0821 PRESSURE: 1148600 129.11 -93.1255 38.5408 -93.1263 -217.17 255.173 38.5407 255.172 -305.419 GPRESSURE: 1148600 128.695 -103.501 -58.0896 -66.8152 -118.084 280.774 193.608 166.436 -355.548 PRESSAVG: 1148600 30.7577 -72.3898 -5.7891 -72.3897 -11.238 -30.4041 -5.7891 -30.4041 -16.1489 GPRESSAVG: 1148600 29.9404 -70.4823 -4.44334 -72.7704 -10.3876 -28.4831 -6.03678 -30.271 -16.5378 TIMING: 1148600 CPU: 3697.04, 0.003201/step Wall: 3697.04, 0.003201/step, 3.42454 hours remaining, 232.007812 MB of memory in use. ENERGY: 1148600 4045.5691 20612.8139 14631.5899 243.5258 -203350.3141 2353.4273 0.0000 0.0000 51656.5056 -109806.8825 296.8706 -161463.3881 -109453.5048 298.8786 -131.1596 -114.9791 760340.1585 1.1236 1.0050 PRESSURE: 1148800 28.8199 -41.978 -40.3364 -41.9785 43.1651 -15.6884 -40.3367 -15.6889 348.516 GPRESSURE: 1148800 85.9801 5.52835 -65.6206 44.43 45.4819 -25.7833 -17.4024 -11.8826 379.377 PRESSAVG: 1148800 49.1716 38.5496 -33.241 38.5495 -69.9925 39.6186 -33.2409 39.6186 -3.9836 GPRESSAVG: 1148800 49.4079 38.7494 -31.8611 39.1359 -70.8126 38.7832 -33.0206 40.5216 -3.17253 TIMING: 1148800 CPU: 3697.68, 0.00324294/step Wall: 3697.68, 0.00324294/step, 3.46923 hours remaining, 232.007812 MB of memory in use. ENERGY: 1148800 3984.9363 20474.0483 14549.9032 262.4583 -203659.9158 2520.7257 0.0000 0.0000 52226.2561 -109641.5879 300.1450 -161867.8439 -109277.8826 299.1199 140.1669 170.2798 758305.3831 -8.2682 -8.1924 PRESSURE: 1149000 -34.6417 4.8511 23.5157 4.85077 -35.5126 27.6591 23.5161 27.6578 296.719 GPRESSURE: 1149000 22.0481 -85.0625 -63.6253 21.7872 -30.2191 77.6796 74.4536 13.4765 333.113 PRESSAVG: 1149000 27.6286 -46.672 8.4849 -46.672 -48.327 19.3691 8.48494 19.3692 -4.65751 GPRESSAVG: 1149000 28.3768 -48.6511 8.1153 -45.315 -47.7918 16.7287 7.15944 20.1038 -5.89214 TIMING: 1149000 CPU: 3698.33, 0.00322588/step Wall: 3698.33, 0.00322588/step, 3.45079 hours remaining, 232.007812 MB of memory in use. ENERGY: 1149000 4049.9548 20468.6296 14509.9076 239.6427 -203898.5367 2862.6699 0.0000 0.0000 52012.2351 -109755.4972 298.9150 -161767.7323 -109395.7284 298.6778 75.5215 108.3141 760997.6449 -8.4520 -8.4357 PRESSURE: 1149200 -25.1699 -7.81812 74.846 -7.81837 193.637 64.4005 74.8469 64.4007 75.1189 GPRESSURE: 1149200 -5.70854 8.24297 45.1406 -143.982 199.024 2.41812 54.0655 40.3014 127.499 PRESSAVG: 1149200 -23.4689 -28.9946 44.4498 -28.9946 39.7972 1.42933 44.4498 1.42927 42.8518 GPRESSAVG: 1149200 -23.8363 -26.8722 45.3504 -31.6911 38.8939 3.10847 45.1341 0.45448 43.3511 TIMING: 1149200 CPU: 3698.98, 0.00325483/step Wall: 3698.98, 0.00325483/step, 3.48159 hours remaining, 232.007812 MB of memory in use. ENERGY: 1149200 3907.9933 20390.1487 14499.9764 239.5232 -203904.5549 2645.6294 0.0000 0.0000 52231.4802 -109989.8036 300.1750 -162221.2838 -109613.6275 299.1266 81.1953 106.9381 759065.6251 19.7267 19.4696 PRESSURE: 1149400 304.341 -37.0759 134.725 -37.0767 341.104 138.618 134.725 138.619 412.721 GPRESSURE: 1149400 342.567 76.2225 107.919 -90.0256 441.234 143.752 174.296 188.798 345.771 PRESSAVG: 1149400 -10.4777 -47.6844 26.4955 -47.6844 -37.3199 36.2431 26.4955 36.243 -2.8947 GPRESSAVG: 1149400 -10.4277 -50.1333 24.8909 -45.9423 -36.3419 37.1099 26.2904 35.1816 -4.02003 TIMING: 1149400 CPU: 3699.62, 0.00321215/step Wall: 3699.62, 0.00321215/step, 3.43575 hours remaining, 232.007812 MB of memory in use. ENERGY: 1149400 3951.4170 20523.4303 14539.4409 264.1272 -204237.0566 3016.8879 0.0000 0.0000 51885.2239 -110056.5293 298.1851 -161941.7532 -109701.6080 298.4680 352.7221 376.5241 757835.4904 -16.8974 -16.9299 PRESSURE: 1149600 329.146 22.1568 136.3 22.1563 -103.3 67.8655 136.3 67.8668 -42.2602 GPRESSURE: 1149600 402.458 -78.7741 108.561 3.43992 19.6194 31.2032 186.839 71.65 -140.059 PRESSAVG: 1149600 -50.1808 -47.1189 -28.5369 -47.119 57.8572 -25.6901 -28.5368 -25.6901 -16.1662 GPRESSAVG: 1149600 -51.8963 -45.7786 -27.9489 -47.0052 59.451 -25.9676 -29.0764 -25.114 -15.5926 TIMING: 1149600 CPU: 3700.26, 0.00319427/step Wall: 3700.26, 0.00319427/step, 3.41645 hours remaining, 232.007812 MB of memory in use. ENERGY: 1149600 3941.6228 20483.3064 14478.7603 263.1638 -203956.8687 2881.4360 0.0000 0.0000 51813.7555 -110094.8240 297.7744 -161908.5795 -109740.3438 298.2563 61.1953 94.0061 758756.0780 -2.8299 -2.6793 PRESSURE: 1149800 -46.9796 -161.66 102.126 -161.66 590.221 -162.109 102.127 -162.109 73.3519 GPRESSURE: 1149800 56.0881 -104.458 114.991 -300.911 505.504 -136.04 -45.9915 -135.041 144.687 PRESSAVG: 1149800 -59.8348 -26.3124 27.9822 -26.3124 40.3217 -23.2715 27.9822 -23.2715 10.8551 GPRESSAVG: 1149800 -58.5071 -26.1312 26.6737 -26.3267 38.7605 -22.3581 28.5286 -22.9744 10.8007 TIMING: 1149800 CPU: 3700.9, 0.00318991/step Wall: 3700.9, 0.00318991/step, 3.41161 hours remaining, 232.007812 MB of memory in use. ENERGY: 1149800 3978.6566 20448.8429 14459.6251 242.8362 -203944.0388 2923.4296 0.0000 0.0000 52024.3235 -109866.3249 298.9845 -161890.6484 -109501.9283 298.1646 205.5312 235.4264 760567.6057 -2.8860 -2.9820 PRESSURE: 1150000 342.338 64.6467 -40.6822 64.6456 -115.059 47.4386 -40.6824 47.4389 262.154 GPRESSURE: 1150000 286.078 44.2951 -125.264 141.205 -20.3942 121.016 26.8211 71.3984 289.795 PRESSAVG: 1150000 -43.252 -73.6992 -32.4433 -73.6992 16.1113 -26.136 -32.4433 -26.1359 -3.465 GPRESSAVG: 1150000 -43.4805 -74.7343 -30.6836 -74.2919 16.839 -27.5204 -34.8052 -25.7731 -4.33934 TIMING: 1150000 CPU: 3701.54, 0.00317803/step Wall: 3701.54, 0.00317803/step, 3.39873 hours remaining, 232.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1150000 3998.8435 20481.6870 14560.9534 243.4449 -203975.3457 3047.0560 0.0000 0.0000 52059.6097 -109583.7512 299.1873 -161643.3609 -109221.9321 298.8946 163.1443 185.1596 761327.5886 -10.2019 -10.3269 PRESSURE: 1150200 -15.3629 -75.5116 -82.8238 -75.5111 249.69 -34.9615 -82.8243 -34.962 0.659979 GPRESSURE: 1150200 41.7239 -130.781 -87.5751 -127.101 219.286 -128.69 -29.5086 21.6734 62.9021 PRESSAVG: 1150200 -32.4666 -76.1758 9.80561 -76.1758 1.46357 -36.0294 9.80555 -36.0294 -1.92901 GPRESSAVG: 1150200 -31.9096 -75.9275 10.2223 -74.9356 0.724852 -36.9764 11.799 -35.5606 -1.79174 TIMING: 1150200 CPU: 3702.18, 0.00321231/step Wall: 3702.18, 0.00321231/step, 3.43521 hours remaining, 232.007812 MB of memory in use. ENERGY: 1150200 3974.0451 20547.9836 14498.1981 246.0375 -203349.6386 2428.3690 0.0000 0.0000 52009.6935 -109645.3116 298.9004 -161655.0051 -109287.9140 299.3291 78.3290 107.9708 760947.8589 -10.9774 -10.9922 PRESSURE: 1150400 -285.988 -200.108 -103.78 -200.108 -39.3684 6.26294 -103.78 6.26321 -61.259 GPRESSURE: 1150400 -200.581 -108.093 -127.874 -320.747 -57.7803 20.0718 -114.508 45.9025 -42.3528 PRESSAVG: 1150400 2.53588 -19.5275 -9.12492 -19.5276 8.99756 72.211 -9.12494 72.211 18.4967 GPRESSAVG: 1150400 3.00055 -17.8652 -9.10811 -20.1088 7.1025 72.8592 -11.3252 71.9825 19.4046 TIMING: 1150400 CPU: 3702.82, 0.00320499/step Wall: 3702.82, 0.00320499/step, 3.42721 hours remaining, 232.007812 MB of memory in use. ENERGY: 1150400 3995.2391 20609.1299 14479.2351 236.4641 -203080.7241 2224.1051 0.0000 0.0000 51976.6202 -109559.9306 298.7104 -161536.5508 -109195.7455 299.2487 -128.8718 -100.2380 760556.5016 10.0100 9.8359 PRESSURE: 1150600 -112.689 55.7842 -57.0363 55.7832 -277.445 -73.1267 -57.0364 -73.1272 -140.806 GPRESSURE: 1150600 -72.2848 103.331 -68.684 58.6715 -335.596 -32.3439 36.7834 35.2248 -34.319 PRESSAVG: 1150600 26.2684 -44.913 -63.324 -44.9131 -27.0718 -18.3294 -63.3239 -18.3294 13.506 GPRESSAVG: 1150600 25.7363 -47.2637 -63.6678 -44.4513 -25.2379 -17.4725 -61.7816 -16.2972 13.1493 TIMING: 1150600 CPU: 3703.46, 0.00321395/step Wall: 3703.46, 0.00321396/step, 3.43661 hours remaining, 232.007812 MB of memory in use. ENERGY: 1150600 4071.7194 20436.3049 14539.5637 245.9558 -203430.3546 2413.8824 0.0000 0.0000 52125.7828 -109597.1455 299.5676 -161722.9283 -109232.5412 299.6579 -176.9800 -147.4000 760288.3388 4.2342 4.5492 PRESSURE: 1150800 -256.147 287.754 142.765 287.753 -260.111 50.0538 142.765 50.0549 -46.2194 GPRESSURE: 1150800 -181.078 312.19 171.014 123.18 -195.954 3.6869 78.3615 135.204 -110.353 PRESSAVG: 1150800 10.6001 14.9336 16.4604 14.9336 -39.7652 -14.6906 16.4604 -14.6905 3.04673 GPRESSAVG: 1150800 10.4164 16.443 16.6017 14.9715 -39.5001 -14.8989 16.5205 -18.6913 2.92113 TIMING: 1150800 CPU: 3704.1, 0.00320426/step Wall: 3704.1, 0.00320426/step, 3.42606 hours remaining, 232.007812 MB of memory in use. ENERGY: 1150800 4015.2043 20516.9518 14545.6249 245.3189 -203357.2943 2475.7199 0.0000 0.0000 51887.6234 -109670.8512 298.1989 -161558.4746 -109306.9420 299.5753 -187.4926 -162.4614 761510.4175 -8.7061 -8.7209 PRESSURE: 1151000 15.7898 17.2482 -102.287 17.2488 -24.228 -57.2 -102.287 -57.1998 -246.732 GPRESSURE: 1151000 82.7464 3.59648 -81.9653 21.108 -13.9766 -32.1232 -136.521 -96.2136 -233.743 PRESSAVG: 1151000 23.0036 14.6847 -38.2946 14.6847 -12.8427 -30.3273 -38.2946 -30.3274 -26.5085 GPRESSAVG: 1151000 23.5292 12.4764 -40.3005 14.08 -13.8641 -29.7022 -36.2091 -28.3339 -26.5535 TIMING: 1151000 CPU: 3704.74, 0.00320018/step Wall: 3704.74, 0.00320018/step, 3.42153 hours remaining, 232.007812 MB of memory in use. ENERGY: 1151000 3976.9181 20506.4920 14474.4216 258.6456 -203505.2025 2646.3009 0.0000 0.0000 51813.9544 -109828.4698 297.7755 -161642.4242 -109471.5938 299.0456 -85.0568 -54.9911 761625.7038 -5.4492 -5.6295 PRESSURE: 1151200 -230.564 -164.927 -174.391 -164.928 -137.25 -47.8273 -174.391 -47.8281 -27.5384 GPRESSURE: 1151200 -271.912 -185.266 -54.6809 -103.152 -51.6554 43.4231 -80.4798 -98.2843 14.7738 PRESSAVG: 1151200 26.5616 -17.6355 13.1407 -17.6355 -55.8307 14.1653 13.1407 14.1653 23.0285 GPRESSAVG: 1151200 26.1898 -17.7539 15.2429 -16.0399 -55.2531 14.5197 10.3354 14.0514 23.0037 TIMING: 1151200 CPU: 3705.38, 0.00318408/step Wall: 3705.38, 0.00318408/step, 3.40414 hours remaining, 232.007812 MB of memory in use. ENERGY: 1151200 4033.2018 20598.3571 14447.5278 260.3285 -203587.6848 2504.8257 0.0000 0.0000 52050.7177 -109692.7263 299.1362 -161743.4440 -109333.0773 299.0907 -131.7843 -102.9314 759115.8428 -2.0802 -2.0199 PRESSURE: 1151400 -89.8413 -126.102 79.9466 -126.101 -167.082 111.932 79.9464 111.935 -118.019 GPRESSURE: 1151400 -118.899 -167.072 59.6991 -97.1587 -87.2845 158.17 62.6979 14.8001 -100.811 PRESSAVG: 1151400 -12.8164 -8.54545 28.0975 -8.54545 -15.9681 -73.4678 28.0975 -73.4677 2.22793 GPRESSAVG: 1151400 -14.5829 -8.17206 28.6861 -8.12508 -14.8539 -73.2654 28.1822 -73.7013 3.0853 TIMING: 1151400 CPU: 3706.02, 0.00318399/step Wall: 3706.02, 0.00318399/step, 3.40386 hours remaining, 232.007812 MB of memory in use. ENERGY: 1151400 3921.8958 20590.0225 14574.7109 260.6675 -203661.7266 2508.9912 0.0000 0.0000 52070.9065 -109734.5322 299.2522 -161805.4387 -109367.6312 299.1262 -124.9808 -102.3315 761323.8038 -8.8522 -8.7838 PRESSURE: 1151600 -223.299 -35.7388 -73.0292 -35.7387 -221.307 -43.3225 -73.0297 -43.3227 149.56 GPRESSURE: 1151600 -264.964 -51.5939 -108.526 -112.419 -74.8011 -16.3646 44.0198 -30.7916 144.1 PRESSAVG: 1151600 -43.1192 -20.2846 -26.9405 -20.2845 36.8985 -27.301 -26.9405 -27.301 6.3597 GPRESSAVG: 1151600 -41.5709 -19.8187 -28.0317 -21.0916 36.4868 -29.9771 -24.3816 -26.6774 5.16492 TIMING: 1151600 CPU: 3706.65, 0.00319024/step Wall: 3706.65, 0.00319024/step, 3.41037 hours remaining, 232.007812 MB of memory in use. ENERGY: 1151600 3894.3735 20500.0934 14514.0785 254.3076 -203579.8280 2475.4762 0.0000 0.0000 52091.0035 -109850.4952 299.3677 -161941.4987 -109485.9626 299.5662 -98.3488 -65.2215 758815.9948 0.0463 0.0269 PRESSURE: 1151800 204.836 -78.1348 256.618 -78.1347 -574.734 -81.5852 256.618 -81.5851 -134.043 GPRESSURE: 1151800 203.289 -152.991 255.155 -171.831 -484.337 -160.026 187.33 -42.6983 -122.745 PRESSAVG: 1151800 -32.8333 -25.2525 19.5327 -25.2525 7.03639 39.1238 19.5327 39.1238 11.07 GPRESSAVG: 1151800 -32.9671 -24.9842 20.1147 -25.6681 6.60683 41.314 17.9533 38.2942 11.0077 TIMING: 1151800 CPU: 3707.29, 0.00316992/step Wall: 3707.29, 0.00316992/step, 3.38846 hours remaining, 232.007812 MB of memory in use. ENERGY: 1151800 4060.1221 20544.0307 14528.1535 260.6731 -203220.2831 2154.9882 0.0000 0.0000 51902.5707 -109769.7448 298.2848 -161672.3155 -109405.9297 299.1451 -167.9804 -134.5977 760168.2091 -4.9090 -5.1175 PRESSURE: 1152000 -466.071 169.117 236.812 169.117 -381.258 -77.8038 236.813 -77.803 -300.136 GPRESSURE: 1152000 -498.475 47.4707 168.956 158.421 -363.997 71.8828 189.023 19.1334 -210.814 PRESSAVG: 1152000 11.2646 30.5349 -30.8043 30.5349 -17.6065 6.62313 -30.8042 6.62324 -3.72104 GPRESSAVG: 1152000 10.3746 30.3211 -28.8206 30.107 -17.8236 6.69429 -31.4288 8.35962 -2.73038 TIMING: 1152000 CPU: 3707.92, 0.00316908/step Wall: 3707.92, 0.00316908/step, 3.3874 hours remaining, 232.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1152000 4017.0863 20665.6643 14459.8142 249.8902 -203027.3655 2132.0650 0.0000 0.0000 51890.1166 -109612.7289 298.2132 -161502.8456 -109249.9555 299.1213 -382.4882 -357.7619 761134.4019 -3.3543 -3.3931 PRESSURE: 1152200 248.011 -92.9773 -195.824 -92.9776 -66.6613 169.32 -195.824 169.321 27.4896 GPRESSURE: 1152200 249.92 -131.04 -282.3 -113.499 18.2821 237.906 -169.075 37.6009 15.6266 PRESSAVG: 1152200 19.6616 -43.6039 -6.32706 -43.6039 -2.86191 -37.5439 -6.32701 -37.5439 -10.0241 GPRESSAVG: 1152200 20.0553 -42.678 -7.39386 -45.7461 -2.47698 -36.9873 -5.76969 -40.0491 -10.5506 TIMING: 1152200 CPU: 3708.56, 0.0031954/step Wall: 3708.56, 0.0031954/step, 3.41535 hours remaining, 232.007812 MB of memory in use. ENERGY: 1152200 3916.6153 20504.9026 14425.8646 243.2618 -203307.5896 2330.3447 0.0000 0.0000 52059.5263 -109827.0744 299.1868 -161886.6007 -109466.3303 298.6803 69.6130 94.6097 758606.2409 2.2585 2.3426 LDB: ============= START OF LOAD BALANCING ============== 3720.99 LDB: ============== END OF LOAD BALANCING =============== 3720.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3720.99 LDB: ============= START OF LOAD BALANCING ============== 3721.31 LDB: Largest compute 7068 load 0.035056 is 18.0% of average load 0.195217 LDB: Average compute 0.004404 is 2.3% of average load 0.195217 LDB: TIME 3721.31 LOAD: AVG 0.195217 MAX 0.214779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.59 MB LDB: TIME 3721.31 LOAD: AVG 0.195217 MAX 0.214779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: TIME 3721.31 LOAD: AVG 0.195217 MAX 0.214779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: ============== END OF LOAD BALANCING =============== 3721.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3721.32 PRESSURE: 1152400 188.746 -128.027 7.45139 -128.027 -120.791 -69.989 7.45217 -69.9886 -435.997 GPRESSURE: 1152400 167.979 -199.267 -63.6256 -77.5211 -80.6133 -33.4598 85.365 -13.8787 -376.057 PRESSAVG: 1152400 46.1186 -42.4185 6.33753 -42.4185 -63.2159 -5.25206 6.33751 -5.25201 -9.29983 GPRESSAVG: 1152400 47.2691 -42.3146 5.73704 -41.7274 -63.6993 -5.33349 5.00823 -4.70052 -9.93557 TIMING: 1152400 CPU: 3709.21, 0.00325139/step Wall: 3709.21, 0.00325139/step, 3.47501 hours remaining, 231.136719 MB of memory in use. ENERGY: 1152400 4044.4764 20556.9213 14467.1416 263.9476 -203790.8034 2687.4966 0.0000 0.0000 51911.6859 -109859.1340 298.3372 -161770.8199 -109496.9418 299.2540 -122.6810 -96.2304 760963.1161 -8.7990 -8.7886 PRESSURE: 1152600 344.218 -249.521 -174.765 -249.521 -218.42 -118.229 -174.766 -118.228 112.664 GPRESSURE: 1152600 363.554 -199.377 -129.504 -241.71 -83.6114 -163.275 -135.284 -99.6029 50.4657 PRESSAVG: 1152600 10.5655 -37.6912 -27.6806 -37.6912 -14.3714 -23.4834 -27.6805 -23.4835 17.8859 GPRESSAVG: 1152600 10.0758 -36.8876 -25.6606 -36.5904 -13.8685 -24.4691 -27.2075 -22.248 18.0277 TIMING: 1152600 CPU: 3709.86, 0.00322435/step Wall: 3709.86, 0.00322435/step, 3.44593 hours remaining, 231.515625 MB of memory in use. ENERGY: 1152600 3924.2208 20476.1530 14507.2901 251.6771 -203531.3699 2388.7003 0.0000 0.0000 52153.4642 -109829.8644 299.7267 -161983.3286 -109467.3041 299.1769 79.4875 110.1361 760089.8605 4.6933 4.7450 PRESSURE: 1152800 -358.023 -118.209 137.25 -118.208 54.0501 -98.7611 137.25 -98.761 35.5867 GPRESSURE: 1152800 -231.433 -77.2916 190.506 -141.012 -32.4426 -127.143 126.75 -121.198 86.4501 PRESSAVG: 1152800 64.2314 -45.6279 34.4835 -45.6279 -17.2709 13.9555 34.4835 13.9555 -4.34091 GPRESSAVG: 1152800 64.5662 -47.4179 33.0696 -47.0409 -17.5984 12.9697 34.2286 13.3355 -4.24315 TIMING: 1152800 CPU: 3710.5, 0.0032231/step Wall: 3710.5, 0.0032231/step, 3.44442 hours remaining, 231.515625 MB of memory in use. ENERGY: 1152800 3874.6184 20492.1914 14471.8663 267.4975 -203340.8676 2328.9207 0.0000 0.0000 52290.0070 -109615.7664 300.5114 -161905.7734 -109245.7325 299.4826 -89.4622 -59.1418 758522.8730 14.2065 14.2415 PRESSURE: 1153000 71.5259 35.6178 158.434 35.6176 -185.007 54.2372 158.433 54.2369 -46.3029 GPRESSURE: 1153000 49.2758 -5.09049 125.987 23.1228 -139.986 87.7112 93.7623 43.4189 23.9426 PRESSAVG: 1153000 24.396 -33.2849 -35.0239 -33.2849 -42.307 -7.20296 -35.0239 -7.20297 11.4267 GPRESSAVG: 1153000 24.3806 -34.7072 -36.3987 -30.9375 -42.623 -5.62094 -33.5654 -8.35453 11.9599 TIMING: 1153000 CPU: 3711.14, 0.00320531/step Wall: 3711.14, 0.00320531/step, 3.42523 hours remaining, 231.515625 MB of memory in use. ENERGY: 1153000 3973.2646 20457.1866 14475.5854 259.9594 -203433.9722 2473.1617 0.0000 0.0000 52212.0173 -109582.7972 300.0632 -161794.8145 -109211.5302 299.5274 -53.2614 -22.2560 759192.2219 -2.1614 -2.0942 PRESSURE: 1153200 -28.8685 -80.2884 -125.937 -80.2884 -102.589 5.59522 -125.938 5.59568 297.589 GPRESSURE: 1153200 44.9935 -100.561 -194.58 -43.5389 -105.959 80.8428 -123.896 -107.564 320.079 PRESSAVG: 1153200 3.9645 -40.7596 -34.9417 -40.7595 31.4736 -2.05793 -34.9418 -2.05792 -2.51879 GPRESSAVG: 1153200 4.33452 -39.3062 -33.4216 -40.4462 29.9445 -4.74016 -36.7196 -0.547229 -1.53233 TIMING: 1153200 CPU: 3711.78, 0.00318747/step Wall: 3711.78, 0.00318747/step, 3.40598 hours remaining, 231.515625 MB of memory in use. ENERGY: 1153200 3915.2338 20646.9612 14462.3089 249.3672 -203729.4252 2599.2147 0.0000 0.0000 52274.8158 -109581.5236 300.4241 -161856.3394 -109224.6452 299.7121 55.3770 86.3711 759398.0504 10.9731 10.9156 PRESSURE: 1153400 166.918 186.759 -181.275 186.758 218.619 58.9938 -181.275 58.993 378.232 GPRESSURE: 1153400 293.357 81.1627 -114.43 122.892 138.883 78.3362 -94.1105 34.8683 397.359 PRESSAVG: 1153400 16.0923 -10.2594 -16.9208 -10.2594 12.1494 31.7883 -16.9208 31.7885 3.26541 GPRESSAVG: 1153400 13.4 -10.3796 -17.1557 -11.4012 13.4517 34.1581 -14.6637 30.1818 3.81893 TIMING: 1153400 CPU: 3712.42, 0.00319912/step Wall: 3712.42, 0.00319912/step, 3.41826 hours remaining, 231.503906 MB of memory in use. ENERGY: 1153400 4001.4315 20339.3135 14537.8399 227.2802 -203269.4262 2471.8463 0.0000 0.0000 52158.9026 -109532.8122 299.7579 -161691.7148 -109159.5588 299.3979 254.5897 276.5328 759726.9296 10.5024 10.2236 PRESSURE: 1153600 -307.127 -227.664 61.2794 -227.664 -243.733 -87.7871 61.2794 -87.7866 -138.378 GPRESSURE: 1153600 -275.738 -249.46 72.9062 -154.679 -233.108 -137.411 -26.1364 -41.5389 -71.1575 PRESSAVG: 1153600 5.55577 20.9481 -41.4052 20.9481 -4.35829 -31.7476 -41.4051 -31.7477 3.03452 GPRESSAVG: 1153600 7.4917 18.7673 -41.6975 23.6659 -4.83253 -33.5526 -43.2535 -31.5608 1.57294 TIMING: 1153600 CPU: 3713.06, 0.0031844/step Wall: 3713.06, 0.0031844/step, 3.40235 hours remaining, 231.503906 MB of memory in use. ENERGY: 1153600 3989.3340 20528.1296 14522.9120 250.4012 -203502.2592 2686.4661 0.0000 0.0000 51899.4181 -109625.5982 298.2667 -161525.0163 -109263.2829 299.0671 -229.7460 -193.3346 761848.1106 1.4107 1.4107 PRESSURE: 1153800 -125.68 -182.032 -233.466 -182.031 -191.423 20.7061 -233.465 20.7069 -130.449 GPRESSURE: 1153800 -103.412 -264.978 -208.795 -182.952 -121.082 69.3879 -242.826 15.6486 -134.547 PRESSAVG: 1153800 71.7941 -36.4773 -40.9717 -36.4773 -20.7666 -40.8726 -40.9717 -40.8726 -14.9337 GPRESSAVG: 1153800 71.1012 -35.7371 -39.0764 -40.7343 -19.5278 -39.3535 -40.1081 -39.6288 -15.4401 TIMING: 1153800 CPU: 3713.7, 0.00319683/step Wall: 3713.7, 0.00319683/step, 3.41545 hours remaining, 231.503906 MB of memory in use. ENERGY: 1153800 4037.6667 20431.3487 14518.6802 257.2251 -203096.9019 2420.1044 0.0000 0.0000 51860.4873 -109571.3895 298.0429 -161431.8767 -109215.7596 299.4126 -149.1839 -119.6804 761280.4228 12.0313 12.0444 PRESSURE: 1154000 -37.3751 16.7145 64.9604 16.714 -534.728 93.6171 64.9609 93.6178 -330.65 GPRESSURE: 1154000 -53.0403 -39.814 83.7146 72.0347 -467.893 165.488 -30.9901 90.9511 -306.431 PRESSAVG: 1154000 -11.0083 -30.4801 -25.8738 -30.4801 -5.32217 -0.464242 -25.8738 -0.464259 -14.5329 GPRESSAVG: 1154000 -11.349 -30.1604 -27.8136 -28.1473 -5.90283 -0.762113 -25.8696 -0.830798 -13.7783 TIMING: 1154000 CPU: 3714.33, 0.00318559/step Wall: 3714.33, 0.00318559/step, 3.40327 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1154000 4023.8306 20501.0262 14464.6538 232.4794 -203105.5467 2196.8219 0.0000 0.0000 51920.5866 -109766.1482 298.3883 -161686.7348 -109407.3625 298.7886 -300.9180 -275.7879 760459.7968 -10.2878 -10.3434 PRESSURE: 1154200 -54.6241 -71.0858 73.9663 -71.0854 249.607 -124.82 73.9662 -124.819 -255.126 GPRESSURE: 1154200 -0.486574 -93.281 64.4759 -135.069 223.493 -71.4041 -31.3663 -24.4303 -179.696 PRESSAVG: 1154200 24.8064 -34.5839 -0.0233333 -34.5838 8.33729 -37.4395 -0.0233545 -37.4396 -21.7892 GPRESSAVG: 1154200 25.612 -33.5995 0.0301643 -34.6714 7.75155 -36.4617 -1.0262 -38.4519 -22.0651 TIMING: 1154200 CPU: 3714.97, 0.0032032/step Wall: 3714.97, 0.0032032/step, 3.42191 hours remaining, 231.515625 MB of memory in use. ENERGY: 1154200 4003.1351 20460.3345 14489.4389 254.7804 -203357.9490 2396.0220 0.0000 0.0000 51852.7906 -109901.4474 297.9987 -161754.2380 -109553.2421 298.5653 -20.0476 14.4367 761036.0649 3.7848 3.7662 PRESSURE: 1154400 2.89818 55.6931 50.8547 55.6936 -17.3569 248.152 50.8552 248.153 -105.631 GPRESSURE: 1154400 39.1443 -6.91097 42.3548 -16.6706 -6.41943 149.135 69.251 189.722 -66.9108 PRESSAVG: 1154400 -39.4344 -5.48023 -61.4884 -5.48032 37.9607 6.89009 -61.4884 6.89015 -17.4849 GPRESSAVG: 1154400 -38.4713 -3.82886 -59.2931 -5.98926 37.7026 6.04324 -63.1762 6.70331 -18.0969 TIMING: 1154400 CPU: 3715.62, 0.00322187/step Wall: 3715.62, 0.00322187/step, 3.44167 hours remaining, 231.515625 MB of memory in use. ENERGY: 1154400 4001.0588 20487.9975 14462.3422 259.3181 -203336.8592 2484.6336 0.0000 0.0000 52023.0723 -109618.4366 298.9773 -161641.5089 -109252.5574 298.7562 -40.0299 -11.3953 762045.0867 -6.3195 -6.2886 PRESSURE: 1154600 -265.037 -140.248 -97.8906 -140.249 -28.0849 192.354 -97.8898 192.354 -699.777 GPRESSURE: 1154600 -293.616 -208.054 -69.947 -121.156 -42.6912 216.255 -89.7061 247.87 -571.01 PRESSAVG: 1154600 0.3026 2.63239 -58.9763 2.63242 -5.66976 10.4476 -58.9763 10.4476 0.253787 GPRESSAVG: 1154600 -1.16786 0.809865 -60.4756 2.63222 -4.5867 10.4692 -57.4035 12.4929 1.43129 TIMING: 1154600 CPU: 3716.25, 0.00317736/step Wall: 3716.25, 0.00317736/step, 3.39395 hours remaining, 231.515625 MB of memory in use. ENERGY: 1154600 3982.0928 20306.5251 14483.4307 257.4733 -203169.5956 2359.4649 0.0000 0.0000 52104.9198 -109675.6889 299.4477 -161780.6087 -109317.7882 299.1719 -330.9661 -302.4389 763181.9023 -1.7045 -1.4411 PRESSURE: 1154800 -538.261 2.95823 -184.549 2.95898 -220.224 -94.9135 -184.549 -94.914 -89.964 GPRESSURE: 1154800 -472.074 75.7357 -90.537 -60.037 -222.919 -82.4016 -68.64 31.6843 -52.3162 PRESSAVG: 1154800 0.65628 19.6265 -31.7634 19.6265 14.2334 38.5633 -31.7634 38.5633 0.670103 GPRESSAVG: 1154800 1.74818 20.9735 -33.3408 20.9198 14.5708 37.9469 -29.0713 39.4907 -0.055486 TIMING: 1154800 CPU: 3716.89, 0.00319299/step Wall: 3716.89, 0.00319299/step, 3.41046 hours remaining, 231.515625 MB of memory in use. ENERGY: 1154800 3935.6258 20558.3737 14471.6799 229.4646 -202928.1453 2153.6100 0.0000 0.0000 52136.5611 -109442.8300 299.6295 -161579.3911 -109083.0431 299.6835 -282.8163 -249.1030 761567.0843 5.1866 5.4212 PRESSURE: 1155000 -210.304 -120.182 94.3152 -120.182 47.2764 46.5964 94.3155 46.5974 65.5592 GPRESSURE: 1155000 -144.513 -44.693 41.2544 -160.766 74.0023 55.4197 -59.3666 84.421 67.2365 PRESSAVG: 1155000 -72.2128 -22.2918 -47.9142 -22.2917 36.9514 -29.9387 -47.9143 -29.9386 -15.1149 GPRESSAVG: 1155000 -71.6089 -22.9936 -47.3075 -22.8026 36.9464 -28.7239 -50.5425 -30.4123 -15.5965 TIMING: 1155000 CPU: 3717.53, 0.00317934/step Wall: 3717.53, 0.00317934/step, 3.39571 hours remaining, 231.515625 MB of memory in use. ENERGY: 1155000 4030.9360 20512.6772 14481.6634 247.9603 -203542.6965 2571.5899 0.0000 0.0000 52168.4398 -109529.4299 299.8127 -161697.8696 -109168.2935 299.6498 -32.4894 -1.0915 759555.9294 -16.7921 -16.7530 PRESSURE: 1155200 -41.5619 -75.9936 59.3364 -75.9935 -26.3931 68.4866 59.3359 68.4867 40.3525 GPRESSURE: 1155200 -55.7075 -4.3545 35.5893 -184.45 45.3623 118.272 7.51427 74.7621 53.2972 PRESSAVG: 1155200 -2.60251 -14.9699 -35.9744 -14.9699 -5.62789 -13.5504 -35.9744 -13.5505 -18.2037 GPRESSAVG: 1155200 -4.89003 -13.9848 -35.9618 -15.2602 -4.52458 -14.3175 -35.4783 -13.5683 -17.2716 TIMING: 1155200 CPU: 3718.17, 0.0031905/step Wall: 3718.17, 0.0031905/step, 3.40746 hours remaining, 231.515625 MB of memory in use. ENERGY: 1155200 3982.8267 20493.1999 14440.8874 237.6722 -203101.3408 2236.6000 0.0000 0.0000 51964.6529 -109745.5017 298.6416 -161710.1546 -109391.2369 299.3208 -9.2008 14.3174 761277.7488 -8.8114 -8.8954 PRESSURE: 1155400 77.8197 -180 -21.2199 -180 124.197 -324.57 -21.2201 -324.569 35.0259 GPRESSURE: 1155400 52.9138 -80.9914 5.5719 -44.3921 146.232 -353.423 42.7752 -143.509 115.005 PRESSAVG: 1155400 9.53837 -43.7074 -40.8432 -43.7074 -11.6921 14.7848 -40.8432 14.7849 -15.8018 GPRESSAVG: 1155400 11.3336 -46.4137 -41.1217 -42.4934 -12.984 14.4971 -41.9154 14.0318 -16.1551 TIMING: 1155400 CPU: 3718.8, 0.00316537/step Wall: 3718.8, 0.00316537/step, 3.38044 hours remaining, 231.515625 MB of memory in use. ENERGY: 1155400 3978.0290 20538.1210 14458.0523 247.1810 -203090.4699 2273.9128 0.0000 0.0000 51858.9678 -109736.2062 298.0342 -161595.1740 -109375.7238 299.2144 79.0143 104.7170 759502.8789 -5.9852 -5.9352 PRESSURE: 1155600 -372.865 -45.3446 -142.704 -45.345 -73.4909 -24.5598 -142.705 -24.5599 -78.8518 GPRESSURE: 1155600 -251.55 66.4836 -117.858 -9.04866 -66.2771 -70.6259 -13.2928 58.3992 -91.7714 PRESSAVG: 1155600 13.0374 -35.2844 -60.3707 -35.2844 -18.1792 -2.50014 -60.3707 -2.50011 0.579925 GPRESSAVG: 1155600 12.8123 -33.5644 -59.8851 -37.8188 -17.8092 -1.32663 -59.3941 -0.310399 0.845654 TIMING: 1155600 CPU: 3719.43, 0.00317561/step Wall: 3719.43, 0.00317561/step, 3.3912 hours remaining, 231.515625 MB of memory in use. ENERGY: 1155600 3946.2829 20407.4704 14483.5810 275.1542 -203433.8118 2367.7593 0.0000 0.0000 52036.3264 -109917.2376 299.0535 -161953.5640 -109550.2292 298.7084 -175.0691 -136.5328 758578.2421 -1.5206 -1.3837 PRESSURE: 1155800 -198.757 -120.581 -118.045 -120.58 -126.453 -315.775 -118.046 -315.776 -123.058 GPRESSURE: 1155800 -160.314 -221.985 -194.119 -127.043 -68.2077 -283.2 56.1565 -249.597 -117.543 PRESSAVG: 1155800 -12.1354 -51.2259 11.173 -51.226 -16.9312 1.97078 11.173 1.97075 0.358715 GPRESSAVG: 1155800 -12.2819 -51.8526 11.8706 -49.4409 -17.2181 0.59058 11.0221 0.527936 0.564061 TIMING: 1155800 CPU: 3720.07, 0.00318713/step Wall: 3720.07, 0.00318713/step, 3.40332 hours remaining, 231.515625 MB of memory in use. ENERGY: 1155800 3957.5955 20585.8637 14512.2040 245.1020 -203746.5501 2457.7015 0.0000 0.0000 52123.7757 -109864.3078 299.5561 -161988.0835 -109510.8504 298.9468 -149.4229 -115.3550 759847.7038 -9.5693 -9.6453 PRESSURE: 1156000 139.284 -5.68815 24.0046 -5.68845 -161.639 78.1004 24.0039 78.0995 -41.9095 GPRESSURE: 1156000 155.268 -82.0947 -64.3138 32.9892 -131.365 123.543 74.9589 40.1503 0.975855 PRESSAVG: 1156000 -15.2162 -69.3176 -16.3686 -69.3177 -8.50888 -55.2485 -16.3686 -55.2484 18.3468 GPRESSAVG: 1156000 -14.4673 -69.5855 -16.8436 -68.8913 -8.67396 -55.391 -17.2176 -55.1683 17.6113 TIMING: 1156000 CPU: 3720.71, 0.00317766/step Wall: 3720.71, 0.00317766/step, 3.39303 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1156000 4053.7818 20602.5182 14425.9114 232.2640 -203981.6117 2703.9852 0.0000 0.0000 51850.7383 -110112.4127 297.9869 -161963.1510 -109746.4613 298.2844 -21.4215 8.2929 758517.7359 -1.7928 -1.8433 PRESSURE: 1156200 -111.491 -252.494 -29.895 -252.495 -615.799 -25.4877 -29.8949 -25.4879 -46.1484 GPRESSURE: 1156200 -80.3847 -256.927 11.4497 -246.418 -592.849 -20.8682 -8.45183 1.88158 -22.1934 PRESSAVG: 1156200 -17.7753 -49.9024 21.688 -49.9024 -27.3772 -26.4156 21.6879 -26.4156 0.170954 GPRESSAVG: 1156200 -19.0037 -48.8477 21.6758 -50.1864 -26.3182 -26.6486 22.1527 -27.8476 0.443023 TIMING: 1156200 CPU: 3721.35, 0.00320384/step Wall: 3721.35, 0.00320384/step, 3.42081 hours remaining, 231.515625 MB of memory in use. ENERGY: 1156200 3937.7188 20576.1552 14417.6776 246.0930 -203861.5392 2534.2714 0.0000 0.0000 51968.5518 -110181.0714 298.6640 -162149.6232 -109817.5207 298.7707 -257.8129 -231.8091 759768.5452 -14.9939 -14.9596 LDB: ============= START OF LOAD BALANCING ============== 3733.77 LDB: ============== END OF LOAD BALANCING =============== 3733.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3733.77 LDB: ============= START OF LOAD BALANCING ============== 3734.09 LDB: Largest compute 7033 load 0.036743 is 18.8% of average load 0.195253 LDB: Average compute 0.004411 is 2.3% of average load 0.195253 LDB: TIME 3734.1 LOAD: AVG 0.195253 MAX 0.216272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 3734.1 LOAD: AVG 0.195253 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: TIME 3734.1 LOAD: AVG 0.195253 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: ============== END OF LOAD BALANCING =============== 3734.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3734.1 PRESSURE: 1156400 74.2646 110.927 218.984 110.927 -10.8507 -17.1269 218.984 -17.1272 174.309 GPRESSURE: 1156400 27.445 61.5486 163.83 52.3313 81.1641 76.9087 178.779 -11.0529 208.714 PRESSAVG: 1156400 -4.79798 -56.2632 9.46245 -56.2632 2.26006 19.2964 9.46246 19.2964 10.8869 GPRESSAVG: 1156400 -5.15159 -58.4666 8.51039 -56.7482 2.93658 20.0825 10.444 19.9622 10.2439 TIMING: 1156400 CPU: 3722, 0.00324375/step Wall: 3722, 0.00324375/step, 3.46325 hours remaining, 231.589844 MB of memory in use. ENERGY: 1156400 4028.7110 20526.9029 14426.6576 253.6319 -203911.5195 2576.7997 0.0000 0.0000 52061.9004 -110036.9160 299.2005 -162098.8163 -109684.5299 298.8087 79.2410 105.7743 758222.1021 2.7830 2.6763 PRESSURE: 1156600 -84.9593 117.633 -320.286 117.633 -105.863 160.944 -320.287 160.943 -302.528 GPRESSURE: 1156600 -0.159208 113.608 -246.473 69.6282 -119.795 146.036 -322.963 68.1187 -301.662 PRESSAVG: 1156600 -6.51323 -13.552 36.8098 -13.552 46.5164 -12.1904 36.8098 -12.1905 -20.2301 GPRESSAVG: 1156600 -5.82918 -14.1521 37.6502 -12.1426 46.1438 -11.0131 36.2528 -11.8589 -19.9646 TIMING: 1156600 CPU: 3722.64, 0.00319722/step Wall: 3722.64, 0.00319722/step, 3.41339 hours remaining, 231.589844 MB of memory in use. ENERGY: 1156600 4003.7954 20569.5878 14426.6441 252.2249 -203694.8966 2490.2016 0.0000 0.0000 51953.2633 -109999.1793 298.5761 -161952.4426 -109635.1463 298.6295 -164.4499 -140.5387 759665.4800 6.5910 6.7834 PRESSURE: 1156800 -229.912 -129.844 66.6385 -129.844 -78.232 -209.71 66.6384 -209.71 -421.947 GPRESSURE: 1156800 -192.832 -151.264 130.28 -63.1602 -57.5505 -184.478 95.7 -108.972 -394.542 PRESSAVG: 1156800 12.7051 -10.5196 24.8511 -10.5197 20.9935 -17.6653 24.851 -17.6653 -13.193 GPRESSAVG: 1156800 12.5485 -6.69367 25.4019 -12.3976 21.2644 -18.0907 24.5653 -18.6298 -13.1885 TIMING: 1156800 CPU: 3723.27, 0.0031825/step Wall: 3723.27, 0.0031825/step, 3.3975 hours remaining, 231.589844 MB of memory in use. ENERGY: 1156800 4043.6720 20422.0227 14412.8857 244.8455 -203581.8036 2559.7784 0.0000 0.0000 51720.3981 -110178.2013 297.2378 -161898.5994 -109815.2244 298.4091 -243.3636 -214.9750 760464.2955 6.8352 6.8748 PRESSURE: 1157000 -233.409 141.975 500.817 141.975 80.4145 182.946 500.818 182.946 -356.458 GPRESSURE: 1157000 -247.604 173.707 486.519 38.8288 120.014 128.655 430.188 42.762 -308.535 PRESSAVG: 1157000 -44.2406 -42.0909 40.2222 -42.0909 33.1318 52.6199 40.2222 52.6198 9.58047 GPRESSAVG: 1157000 -45.1838 -43.1792 38.3295 -42.6274 33.252 53.1016 40.6344 52.782 10.2161 TIMING: 1157000 CPU: 3723.91, 0.00318237/step Wall: 3723.91, 0.00318237/step, 3.39718 hours remaining, 231.589844 MB of memory in use. ENERGY: 1157000 4015.6365 20655.8370 14432.2812 227.9034 -203490.5194 2306.0378 0.0000 0.0000 51616.7150 -110236.1086 296.6420 -161852.8236 -109885.0924 298.5958 -169.8175 -145.3749 761508.4774 -0.5094 -0.5719 PRESSURE: 1157200 -138.786 -17.8293 0.0647644 -17.8287 -107.524 35.1395 0.06494 35.1394 -222.814 GPRESSURE: 1157200 -188.416 44.4272 -24.6278 -19.3236 -2.10796 82.7692 -42.1393 3.29819 -197.217 PRESSAVG: 1157200 -18.7742 0.505115 -22.8068 0.505192 -10.3578 49.9769 -22.8067 49.9768 -0.279778 GPRESSAVG: 1157200 -18.9327 2.10818 -21.4561 2.10461 -9.96725 48.529 -22.7445 49.828 -0.709062 TIMING: 1157200 CPU: 3724.54, 0.00317751/step Wall: 3724.54, 0.00317751/step, 3.39181 hours remaining, 231.589844 MB of memory in use. ENERGY: 1157200 3962.9938 20641.3463 14458.2212 237.1859 -203810.7520 2565.5020 0.0000 0.0000 51790.5438 -110154.9591 297.6410 -161945.5028 -109798.9054 297.8020 -156.3748 -129.2468 761609.8741 -9.8039 -9.8697 PRESSURE: 1157400 -260.029 -38.86 -59.8424 -38.8605 -234.437 189.279 -59.8429 189.279 167.062 GPRESSURE: 1157400 -179.286 -5.04432 51.2014 26.5119 -159.011 177.296 -140.314 224.966 93.1454 PRESSAVG: 1157400 -19.5609 -14.1755 -53.7825 -14.1755 3.38348 -15.2078 -53.7825 -15.2078 -5.41903 GPRESSAVG: 1157400 -18.189 -17.171 -54.5515 -13.8545 2.63106 -15.4964 -53.0792 -15.1358 -5.58423 TIMING: 1157400 CPU: 3725.18, 0.00317707/step Wall: 3725.18, 0.00317707/step, 3.39116 hours remaining, 231.792969 MB of memory in use. ENERGY: 1157400 3940.4918 20419.1312 14496.5140 239.4357 -203460.0547 2217.1624 0.0000 0.0000 51926.3097 -110221.0099 298.4212 -162147.3197 -109846.4587 298.5986 -109.1347 -81.7172 760364.0736 -7.1988 -7.0474 PRESSURE: 1157600 -128.953 99.0587 125.399 99.0591 0.956289 142.73 125.399 142.729 523.931 GPRESSURE: 1157600 -135.779 -23.2897 126.517 35.823 48.3934 175.518 138.127 87.2859 562.459 PRESSAVG: 1157600 -22.4188 -5.45599 -30.3302 -5.45595 -21.9545 2.4357 -30.3302 2.43569 11.3321 GPRESSAVG: 1157600 -22.3404 -4.82643 -30.4732 -6.70415 -21.988 4.4663 -30.8786 1.85304 11.7111 TIMING: 1157600 CPU: 3725.82, 0.00317427/step Wall: 3725.82, 0.00317427/step, 3.38801 hours remaining, 231.792969 MB of memory in use. ENERGY: 1157600 3973.7807 20561.8885 14408.8656 231.7567 -203605.4149 2374.2691 0.0000 0.0000 52051.2810 -110003.5732 299.1394 -162054.8542 -109634.0018 298.7479 131.9781 158.3577 759385.7899 -11.0137 -10.8724 PRESSURE: 1157800 28.981 -207.338 -256.104 -207.338 -187.033 28.7111 -256.104 28.71 -109.02 GPRESSURE: 1157800 75.1896 -165.418 -230.794 -196.949 -143.067 47.4171 -146.757 -10.3277 -127.764 PRESSAVG: 1157800 -17.5756 -29.5859 5.17659 -29.586 14.3768 57.4919 5.17655 57.4919 -25.1958 GPRESSAVG: 1157800 -17.0337 -30.57 6.03791 -27.2147 14.513 57.8247 4.9768 55.5908 -26.062 TIMING: 1157800 CPU: 3726.45, 0.00319339/step Wall: 3726.45, 0.00319339/step, 3.40824 hours remaining, 231.792969 MB of memory in use. ENERGY: 1157800 4047.5129 20389.6596 14495.3644 233.6407 -203899.8734 2306.3834 0.0000 0.0000 52195.5043 -110231.8081 299.9683 -162427.3124 -109873.5008 298.9698 -89.0241 -65.2139 759795.3422 -9.4649 -9.5276 PRESSURE: 1158000 9.25998 -333.571 229.384 -333.571 179.104 -111.878 229.384 -111.877 429.588 GPRESSURE: 1158000 14.3759 -364.066 166.918 -212.045 172.334 -96.4523 112.943 -67.0152 525.495 PRESSAVG: 1158000 1.38791 9.35535 14.8251 9.35534 26.9562 61.0436 14.8251 61.0436 9.20006 GPRESSAVG: 1158000 0.636787 11.536 15.341 6.57195 26.7689 58.1836 13.7311 64.5366 9.97292 TIMING: 1158000 CPU: 3727.09, 0.00319896/step Wall: 3727.09, 0.00319896/step, 3.414 hours remaining, 231.792969 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: 1158000 3938.4449 20441.8273 14499.5006 261.1457 -203901.4963 2655.4385 0.0000 0.0000 52080.7289 -110024.4104 299.3087 -162105.1394 -109670.7525 298.6084 205.9843 237.4017 759423.0955 12.5147 12.4595 PRESSURE: 1158200 180.728 159.544 -222.292 159.543 -142.706 -102.381 -222.291 -102.382 -208.685 GPRESSURE: 1158200 158.91 54.2388 -103.63 226.784 -41.5146 9.1311 -164.889 -142.773 -208.579 PRESSAVG: 1158200 -26.3756 -13.3567 23.8699 -13.3567 10.5468 40.2837 23.8699 40.2837 5.24965 GPRESSAVG: 1158200 -27.9527 -13.5386 23.3607 -12.668 11.4375 40.271 25.3392 40.0523 5.76514 TIMING: 1158200 CPU: 3727.73, 0.00318512/step Wall: 3727.73, 0.00318512/step, 3.39906 hours remaining, 231.792969 MB of memory in use. ENERGY: 1158200 3939.5171 20563.8830 14491.4211 242.2414 -203892.0429 2533.0100 0.0000 0.0000 51957.9500 -110164.0204 298.6031 -162121.9703 -109809.3611 299.1738 -56.8878 -30.3947 759557.4986 -3.5264 -3.5834 PRESSURE: 1158400 161.385 123.577 117.465 123.577 -35.6805 83.3433 117.465 83.3431 -84.102 GPRESSURE: 1158400 210.03 151.41 166.912 56.5228 -39.0107 11.536 125.815 121.243 -64.2698 PRESSAVG: 1158400 15.4125 46.6232 15.306 46.6232 -35.8048 0.390838 15.306 0.390923 -11.9663 GPRESSAVG: 1158400 17.2672 46.9107 16.0193 47.1725 -37.8505 0.787895 13.499 0.0923261 -12.277 TIMING: 1158400 CPU: 3728.37, 0.00318581/step Wall: 3728.37, 0.00318581/step, 3.39962 hours remaining, 231.792969 MB of memory in use. ENERGY: 1158400 3948.3050 20521.8303 14532.4676 242.8530 -203846.8391 2623.1675 0.0000 0.0000 51938.4595 -110039.7562 298.4910 -161978.2157 -109679.6220 298.8153 13.8673 35.5830 760007.6594 -10.7862 -10.9534 PRESSURE: 1158600 -122.197 -106.167 92.6225 -106.166 87.2393 116.41 92.6228 116.41 154.132 GPRESSURE: 1158600 -70.0002 -101.802 97.6692 -127.199 21.6467 193.02 31.4816 105.216 261.649 PRESSAVG: 1158600 -24.5825 33.3635 12.618 33.3635 39.22 14.5794 12.618 14.5794 -1.8059 GPRESSAVG: 1158600 -24.9952 33.3224 12.8685 33.2784 38.9635 15.7451 12.2319 13.7707 -1.41762 TIMING: 1158600 CPU: 3729, 0.00316909/step Wall: 3729, 0.00316909/step, 3.3816 hours remaining, 231.792969 MB of memory in use. ENERGY: 1158600 3968.1362 20593.6334 14459.3001 250.6755 -204222.5940 2834.6806 0.0000 0.0000 52166.5675 -109949.6007 299.8020 -162116.1682 -109586.7445 299.2482 39.7248 71.0985 758037.6279 4.2772 4.1836 PRESSURE: 1158800 -239.96 -87.0813 60.7494 -87.0816 91.8471 23.3138 60.7496 23.313 2.55269 GPRESSURE: 1158800 -150.231 69.1799 35.9454 -39.3087 128.42 20.3455 21.901 53.3011 -31.9721 PRESSAVG: 1158800 36.9484 -7.69531 -41.3506 -7.6953 64.4872 17.6741 -41.3506 17.6741 10.1499 GPRESSAVG: 1158800 37.5112 -8.49092 -42.9613 -7.33486 65.6248 18.4657 -38.6069 16.6676 8.14717 TIMING: 1158800 CPU: 3729.64, 0.00318944/step Wall: 3729.64, 0.00318944/step, 3.40313 hours remaining, 231.792969 MB of memory in use. ENERGY: 1158800 3955.2402 20626.0064 14427.3274 244.9035 -203898.7788 2453.6273 0.0000 0.0000 52306.1392 -109885.5348 300.6041 -162191.6740 -109511.4034 299.5791 -48.5202 -17.9277 757621.5018 37.1952 37.0944 PRESSURE: 1159000 -102.081 54.5606 27.2612 54.5614 -21.7405 -91.8399 27.2599 -91.8404 67.9322 GPRESSURE: 1159000 -9.6378 -103.482 18.7329 47.5279 -100.945 -170.95 -76.8241 45.3857 125.006 PRESSAVG: 1159000 7.83731 -14.1355 5.13921 -14.1354 34.4822 9.58083 5.13919 9.58096 4.76476 GPRESSAVG: 1159000 6.39717 -13.28 5.90355 -14.6635 34.6102 9.4345 3.91622 10.8108 6.04051 TIMING: 1159000 CPU: 3730.28, 0.00320646/step Wall: 3730.28, 0.00320646/step, 3.42112 hours remaining, 231.792969 MB of memory in use. ENERGY: 1159000 3998.9227 20509.2955 14446.1467 248.1262 -203867.4976 2448.1941 0.0000 0.0000 52186.0195 -110030.7930 299.9138 -162216.8124 -109668.8423 298.8827 -18.6296 4.8080 756999.2703 15.6948 15.6826 PRESSURE: 1159200 -51.2778 -155.269 -123.028 -155.269 86.7023 95.2674 -123.027 95.2682 -220.153 GPRESSURE: 1159200 92.933 -135.914 -135.541 -87.5397 74.5117 28.3001 -134.232 120.4 -270.646 PRESSAVG: 1159200 5.077 -34.2672 -22.3838 -34.2672 17.0319 -6.9562 -22.3838 -6.95619 3.9553 GPRESSAVG: 1159200 5.93233 -35.8869 -22.5293 -32.2711 16.6694 -8.91352 -23.2432 -6.012 3.04701 TIMING: 1159200 CPU: 3730.92, 0.00318177/step Wall: 3730.92, 0.00318177/step, 3.39459 hours remaining, 231.792969 MB of memory in use. ENERGY: 1159200 4006.1318 20481.9811 14452.8665 248.4340 -203975.4767 2602.3839 0.0000 0.0000 52115.2164 -110068.4632 299.5069 -162183.6795 -109704.6760 298.7769 -61.5761 -34.4005 756919.1754 8.6881 8.5496 PRESSURE: 1159400 -162.552 23.925 -48.4166 23.9264 70.0906 -7.74378 -48.4171 -7.74406 416.411 GPRESSURE: 1159400 -88.4816 2.49251 -4.39154 -47.9297 124.549 79.3475 -32.1112 -80.2115 362.306 PRESSAVG: 1159400 -25.0262 -15.4419 -7.39383 -15.4418 48.7203 41.1393 -7.39388 41.1393 5.76183 GPRESSAVG: 1159400 -25.3173 -14.3714 -6.05546 -15.5666 48.1077 41.5307 -7.71591 42.077 6.51556 TIMING: 1159400 CPU: 3731.55, 0.00315817/step Wall: 3731.55, 0.00315817/step, 3.36925 hours remaining, 231.792969 MB of memory in use. ENERGY: 1159400 3990.9143 20476.6567 14479.5249 240.1128 -203903.2700 2609.8764 0.0000 0.0000 52082.1225 -110024.0624 299.3167 -162106.1849 -109668.6939 298.9367 107.9832 132.7913 757927.6581 9.8186 9.7687 PRESSURE: 1159600 -147.294 -48.9113 152.304 -48.9114 -21.844 -244.09 152.304 -244.089 -281.644 GPRESSURE: 1159600 -153.839 -43.4479 133.394 -5.81918 27.9017 -117.711 104.711 -191.881 -254.711 PRESSAVG: 1159600 -9.96608 -54.0561 34.2257 -54.0561 47.8221 -15.557 34.2257 -15.5569 1.29248 GPRESSAVG: 1159600 -11.0562 -54.859 32.409 -55.6319 49.356 -14.1173 36.0842 -18.2948 1.31453 TIMING: 1159600 CPU: 3732.18, 0.00317873/step Wall: 3732.18, 0.00317873/step, 3.391 hours remaining, 231.792969 MB of memory in use. ENERGY: 1159600 3912.8660 20425.9033 14553.8026 250.6753 -203349.3127 2204.1826 0.0000 0.0000 52048.2921 -109953.5908 299.1223 -162001.8829 -109578.8061 298.3828 -150.2605 -126.8828 758837.3418 13.0495 13.2048 PRESSURE: 1159800 32.1339 -48.0312 -68.0912 -48.0313 -60.218 -106.02 -68.0914 -106.021 212.17 GPRESSURE: 1159800 180.028 9.57741 -93.1092 -67.3352 -113.475 -70.9893 -76.2312 -87.1885 200.799 PRESSAVG: 1159800 13.855 -33.8412 -29.6421 -33.8412 4.60773 -0.960351 -29.6421 -0.960276 0.255988 GPRESSAVG: 1159800 15.4396 -32.3084 -28.8753 -34.4903 4.04861 -2.97906 -30.9762 0.776434 -0.716895 TIMING: 1159800 CPU: 3732.82, 0.00319964/step Wall: 3732.82, 0.00319964/step, 3.41312 hours remaining, 231.792969 MB of memory in use. ENERGY: 1159800 3954.2395 20555.7295 14442.6893 232.2246 -203837.6390 2676.8236 0.0000 0.0000 51824.0202 -110151.9123 297.8334 -161975.9326 -109791.3819 298.6804 61.3618 89.1177 758385.6561 6.2396 6.2571 PRESSURE: 1160000 -153.897 -143.193 -78.3289 -143.193 -57.2491 136.527 -78.3283 136.527 -2.60401 GPRESSURE: 1160000 -26.3427 -212.721 -116.464 -240.612 -115.538 144.836 12.4322 33.0769 13.583 PRESSAVG: 1160000 14.8719 -44.1554 -16.2708 -44.1554 -32.7456 28.3355 -16.2708 28.3355 14.7801 GPRESSAVG: 1160000 15.6133 -44.1217 -16.5941 -42.2107 -33.0264 28.9926 -16.5878 27.8987 14.6306 TIMING: 1160000 CPU: 3733.46, 0.00318051/step Wall: 3733.46, 0.00318051/step, 3.39254 hours remaining, 231.792969 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: 1160000 4048.8386 20306.6786 14482.9722 251.1741 -203855.7479 2688.8932 0.0000 0.0000 52121.8398 -109955.3515 299.5449 -162077.1913 -109585.2109 298.5371 -71.2500 -42.7658 760293.7430 -1.0312 -0.9275 PRESSURE: 1160200 -71.3446 -123.017 -23.8387 -123.018 115.227 -255.485 -23.8384 -255.485 273.185 GPRESSURE: 1160200 -23.5487 -51.6968 69.4265 -38.4664 123.015 -245.339 -92.1833 -202.72 300.872 PRESSAVG: 1160200 35.5192 -22.6483 -30.7204 -22.6483 -72.1053 57.8511 -30.7205 57.851 1.53271 GPRESSAVG: 1160200 33.9021 -22.929 -28.3374 -25.7563 -72.5732 58.2601 -29.1851 57.7569 3.28756 TIMING: 1160200 CPU: 3734.1, 0.00317442/step Wall: 3734.1, 0.00317442/step, 3.38587 hours remaining, 231.792969 MB of memory in use. ENERGY: 1160200 3938.9213 20487.9672 14419.2877 243.0951 -203753.3126 2766.8730 0.0000 0.0000 51743.0957 -110154.0725 297.3683 -161897.1683 -109803.1440 298.2583 105.6889 133.4460 760524.7669 -11.6845 -11.7945 LDB: ============= START OF LOAD BALANCING ============== 3746.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3746.52 LDB: =============== DONE WITH MIGRATION ================ 3746.52 LDB: ============= START OF LOAD BALANCING ============== 3746.84 LDB: Largest compute 7069 load 0.034594 is 17.7% of average load 0.195308 LDB: Average compute 0.004376 is 2.2% of average load 0.195308 LDB: TIME 3746.84 LOAD: AVG 0.195308 MAX 0.215816 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.309 MB LDB: TIME 3746.84 LOAD: AVG 0.195308 MAX 0.215816 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: TIME 3746.84 LOAD: AVG 0.195308 MAX 0.215816 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.309 MB LDB: ============== END OF LOAD BALANCING =============== 3746.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3746.85 PRESSURE: 1160400 94.6799 67.238 -58.7383 67.2368 319.909 -149.393 -58.7377 -149.393 -50.7015 GPRESSURE: 1160400 139.595 -36.2204 -113.347 136.566 367.614 -37.8688 -40.5846 -24.2835 -69.9585 PRESSAVG: 1160400 11.5824 2.15864 -29.0858 2.15864 26.2312 -1.15505 -29.0857 -1.15499 16.7181 GPRESSAVG: 1160400 11.5116 2.04242 -29.0102 4.14148 27.23 -0.865511 -29.3628 -1.44617 15.5396 TIMING: 1160400 CPU: 3734.74, 0.00324742/step Wall: 3734.74, 0.00324742/step, 3.46355 hours remaining, 230.308594 MB of memory in use. ENERGY: 1160400 3902.6487 20463.5520 14442.2266 252.8802 -203590.0526 2530.1403 0.0000 0.0000 51953.7024 -110044.9023 298.5786 -161998.6047 -109680.4978 298.4237 121.2959 145.7503 758914.9734 18.1772 18.0937 PRESSURE: 1160600 122.409 -79.3773 115.222 -79.3779 22.0525 -1.30969 115.221 -1.30901 -58.8853 GPRESSURE: 1160600 166.511 26.0571 164.161 -118.155 22.1251 -17.2196 182.994 -49.6072 -23.8838 PRESSAVG: 1160600 22.2523 -44.0933 16.1349 -44.0933 -5.36094 -14.7328 16.1348 -14.7328 25.6939 GPRESSAVG: 1160600 22.3802 -43.4626 13.2416 -45.3649 -5.41054 -15.662 16.0361 -14.6533 25.1943 TIMING: 1160600 CPU: 3735.38, 0.00316971/step Wall: 3735.38, 0.00316971/step, 3.3805 hours remaining, 230.308594 MB of memory in use. ENERGY: 1160600 3915.4361 20477.4280 14505.9280 234.5128 -203860.3324 2682.2861 0.0000 0.0000 51882.3660 -110162.3754 298.1687 -162044.7414 -109795.5716 297.9113 28.5256 54.9174 760554.7056 14.1951 14.0546 PRESSURE: 1160800 -69.9074 -74.7921 -76.5069 -74.7913 295.577 -175.94 -76.5068 -175.94 251.248 GPRESSURE: 1160800 90.9404 -18.667 -91.4531 -8.2751 230.783 -124.006 -3.22157 -118.05 222.385 PRESSAVG: 1160800 8.42145 12.6209 -7.57645 12.6209 -25.1927 -11.302 -7.5765 -11.302 -5.6497 GPRESSAVG: 1160800 8.45561 12.0883 -6.75615 13.2634 -25.6309 -9.9242 -7.07814 -11.8797 -5.60728 TIMING: 1160800 CPU: 3736.01, 0.00317925/step Wall: 3736.01, 0.00317925/step, 3.39049 hours remaining, 230.308594 MB of memory in use. ENERGY: 1160800 3967.5131 20427.0362 14470.7522 254.2833 -203745.2937 2597.1073 0.0000 0.0000 51822.8202 -110205.7814 297.8265 -162028.6016 -109841.1812 298.1639 158.9726 181.3696 759661.0656 -7.4737 -7.5942 PRESSURE: 1161000 106.531 80.1597 325.219 80.1598 164.491 75.6057 325.22 75.6058 108.865 GPRESSURE: 1161000 85.3085 96.7942 254.815 38.7265 216.11 175.5 266.277 90.1673 156.819 PRESSAVG: 1161000 -7.94496 -15.188 -6.30662 -15.188 15.4245 0.653371 -6.30662 0.653376 -27.6592 GPRESSAVG: 1161000 -8.53893 -14.8175 -6.98111 -15.7925 14.79 -0.401086 -9.20241 2.383 -26.2959 TIMING: 1161000 CPU: 3736.65, 0.00317461/step Wall: 3736.65, 0.00317461/step, 3.38537 hours remaining, 230.308594 MB of memory in use. ENERGY: 1161000 3920.9795 20480.6907 14521.4859 239.1270 -203994.2163 2755.0055 0.0000 0.0000 51598.0955 -110478.8321 296.5350 -162076.9276 -110120.7418 297.7443 126.6293 152.7459 758874.1713 -6.7266 -6.6816 PRESSURE: 1161200 -181.853 38.4566 41.405 38.4558 40.7908 23.4479 41.4049 23.4476 -44.198 GPRESSURE: 1161200 -247.537 -49.1812 41.7946 -6.01466 100.875 -0.997772 -71.8246 -32.8193 60.2982 PRESSAVG: 1161200 10.3497 -21.0193 -21.8422 -21.0194 -16.6108 46.2029 -21.8422 46.2029 -2.0594 GPRESSAVG: 1161200 9.09346 -21.2939 -22.3003 -20.1 -15.4019 44.491 -20.1365 46.8289 -2.08971 TIMING: 1161200 CPU: 3737.28, 0.00317064/step Wall: 3737.28, 0.00317064/step, 3.38096 hours remaining, 230.308594 MB of memory in use. ENERGY: 1161200 4018.2528 20384.4424 14441.2845 241.2558 -204125.4238 2646.0069 0.0000 0.0000 52033.5852 -110360.5963 299.0377 -162394.1815 -109999.7560 298.0077 -61.7534 -28.7878 760480.1242 -2.7735 -2.7994 PRESSURE: 1161400 -204.104 -134.001 -15.433 -134.001 176.395 -156.892 -15.4319 -156.893 206.187 GPRESSURE: 1161400 -167.936 -167.721 5.98183 -34.8438 259.035 -54.0974 -44.2418 -166.823 174.83 PRESSAVG: 1161400 19.4775 -14.705 -26.4825 -14.7049 5.39985 28.9858 -26.4825 28.9856 17.3349 GPRESSAVG: 1161400 19.9034 -13.3776 -25.8719 -15.4084 5.25203 29.6103 -26.3493 28.3707 17.0338 TIMING: 1161400 CPU: 3737.92, 0.00316286/step Wall: 3737.92, 0.00316286/step, 3.37249 hours remaining, 230.308594 MB of memory in use. ENERGY: 1161400 4001.9757 20371.1892 14469.2173 245.2368 -203527.0032 2415.6408 0.0000 0.0000 51647.8205 -110375.9229 296.8207 -162023.7434 -110017.1681 298.0461 59.4925 88.6428 758738.4486 14.0707 14.0631 PRESSURE: 1161600 -99.7264 80.508 209.737 80.5096 188.572 -8.18885 209.736 -8.18915 206.573 GPRESSURE: 1161600 31.7787 85.5894 199.331 82.4886 183.854 128.538 201.311 -63.1937 168.27 PRESSAVG: 1161600 -37.9247 -31.1919 -1.9026 -31.192 29.2803 25.528 -1.90261 25.528 -13.9288 GPRESSAVG: 1161600 -36.4726 -33.0403 -0.579126 -30.891 27.6857 26.1971 -3.50263 26.6424 -14.0544 TIMING: 1161600 CPU: 3738.55, 0.00317502/step Wall: 3738.55, 0.00317502/step, 3.38528 hours remaining, 230.308594 MB of memory in use. ENERGY: 1161600 3943.6206 20368.4886 14517.4374 241.1686 -203817.3610 2716.3213 0.0000 0.0000 51754.5365 -110275.7880 297.4340 -162030.3245 -109912.6925 297.7434 98.4729 127.9674 757232.1912 -7.5244 -7.6138 PRESSURE: 1161800 -53.9451 -16.638 -41.2216 -16.639 27.8177 114.143 -41.2215 114.145 406.103 GPRESSURE: 1161800 14.6881 -83.1134 -93.4824 -31.7197 84.2518 88.4645 19.1754 -50.6022 348.104 PRESSAVG: 1161800 13.3668 -41.4434 -4.15199 -41.4434 9.89986 15.7909 -4.15198 15.7909 4.23925 GPRESSAVG: 1161800 13.1886 -39.8582 -6.31687 -43.4009 10.3937 15.3641 -0.982882 13.1999 3.85101 TIMING: 1161800 CPU: 3739.19, 0.00317796/step Wall: 3739.19, 0.00317796/step, 3.38823 hours remaining, 230.308594 MB of memory in use. ENERGY: 1161800 3947.5669 20557.1951 14491.7805 244.6044 -203830.4696 2661.0578 0.0000 0.0000 51658.0228 -110270.2423 296.8794 -161928.2650 -109917.7904 297.8756 126.6587 149.0147 759216.7353 9.1686 9.1444 PRESSURE: 1162000 -198.82 35.0506 15.2311 35.0499 76.9233 -62.0885 15.2305 -62.0873 -218.146 GPRESSURE: 1162000 -143.031 84.4143 -24.2265 -101.377 59.5176 -54.2576 21.1731 -154.207 -168.098 PRESSAVG: 1162000 4.76735 -27.2867 -27.3092 -27.2867 -46.7355 32.4768 -27.3092 32.4767 9.77686 GPRESSAVG: 1162000 4.68573 -27.8199 -26.5814 -26.5172 -46.6411 32.7101 -28.7432 32.4439 9.79379 TIMING: 1162000 CPU: 3739.82, 0.00318775/step Wall: 3739.82, 0.00318775/step, 3.3985 hours remaining, 230.308594 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: 1162000 4015.3383 20400.2965 14523.8567 227.8375 -203842.7538 2564.0705 0.0000 0.0000 51861.3532 -110250.0009 298.0479 -162111.3541 -109874.5419 297.9895 -113.3475 -83.8708 759869.8893 -10.7304 -10.7205 PRESSURE: 1162200 404.616 -300.831 -59.09 -300.832 -325.143 -293.13 -59.0903 -293.129 97.8278 GPRESSURE: 1162200 336.153 -304.638 -70.6046 -235.35 -225.309 -219.194 -166.194 -288.213 167.166 PRESSAVG: 1162200 65.9016 -40.5351 7.32514 -40.5351 -78.1123 21.6779 7.32511 21.6779 3.42532 GPRESSAVG: 1162200 65.6562 -39.5389 6.14247 -40.0556 -79.0751 20.7248 6.71102 21.1439 4.14644 TIMING: 1162200 CPU: 3740.46, 0.00317453/step Wall: 3740.46, 0.00317453/step, 3.38422 hours remaining, 230.308594 MB of memory in use. ENERGY: 1162200 3979.6233 20433.7970 14534.0212 268.9374 -203876.0291 2484.1765 0.0000 0.0000 51820.5855 -110354.8882 297.8136 -162175.4738 -109991.8728 297.9162 59.1004 92.6699 759331.3994 -2.9285 -3.0908 PRESSURE: 1162400 -31.9066 -188.996 52.7743 -188.996 16.4002 194.033 52.7744 194.033 -251.781 GPRESSURE: 1162400 26.0137 -164.663 48.8649 -173.564 47.6033 208.56 9.04745 193.498 -254.724 PRESSAVG: 1162400 38.1857 -25.387 17.6263 -25.387 -9.51636 24.1455 17.6263 24.1455 -21.0161 GPRESSAVG: 1162400 36.9382 -26.1278 18.9742 -26.3781 -8.54877 24.7076 17.5148 25.0347 -20.6928 TIMING: 1162400 CPU: 3741.1, 0.00318798/step Wall: 3741.1, 0.00318798/step, 3.39839 hours remaining, 230.308594 MB of memory in use. ENERGY: 1162400 3974.1710 20479.9392 14501.5738 260.0343 -203736.4529 2422.6642 0.0000 0.0000 51679.3348 -110418.7356 297.0018 -162098.0704 -110055.4539 297.3659 -89.0958 -60.3691 759119.8309 2.5511 2.5655 PRESSURE: 1162600 -239.371 -102.136 -266.409 -102.137 -81.8105 77.6283 -266.41 77.6287 -180.482 GPRESSURE: 1162600 -205.049 -52.4642 -296.804 -170.415 -72.9787 94.3688 -151.701 8.31246 -137.985 PRESSAVG: 1162600 -24.9708 -30.5931 -33.8455 -30.5931 23.545 -22.6358 -33.8455 -22.6357 31.5158 GPRESSAVG: 1162600 -24.9724 -31.1713 -34.6904 -27.9373 22.7062 -22.7154 -33.301 -22.5289 31.7776 TIMING: 1162600 CPU: 3741.73, 0.00318086/step Wall: 3741.73, 0.00318086/step, 3.39062 hours remaining, 230.308594 MB of memory in use. ENERGY: 1162600 4018.2969 20561.5108 14423.1892 251.1919 -203697.3250 2473.9006 0.0000 0.0000 51593.9306 -110375.3050 296.5110 -161969.2356 -110026.4419 297.0184 -167.2210 -138.6709 760728.9555 10.0300 9.8372 PRESSURE: 1162800 -282.131 72.3464 -59.7958 72.3464 -228.624 246.427 -59.7955 246.426 -541.961 GPRESSURE: 1162800 -236.618 -63.7299 58.3844 29.3111 -199.369 332.499 -152.38 195.326 -519.469 PRESSAVG: 1162800 -11.567 -30.4529 -97.3093 -30.4528 35.9319 -44.2442 -97.3093 -44.2442 -9.8235 GPRESSAVG: 1162800 -10.8058 -30.9922 -97.6087 -32.9636 36.8745 -43.7699 -96.2448 -45.8015 -11.3819 TIMING: 1162800 CPU: 3742.37, 0.00320292/step Wall: 3742.37, 0.00320292/step, 3.41396 hours remaining, 230.308594 MB of memory in use. ENERGY: 1162800 3992.7167 20304.5449 14449.9771 246.3226 -203816.4920 2477.1274 0.0000 0.0000 52061.5243 -110284.2790 299.1983 -162345.8033 -109920.1115 297.7657 -350.9058 -318.4856 762836.5657 4.8471 4.8956 PRESSURE: 1163000 -45.5509 -60.974 249.979 -60.973 44.6787 44.2297 249.978 44.2303 -290.451 GPRESSURE: 1163000 -70.4819 -15.6666 208.231 -138.109 56.5126 89.3042 234.986 27.5688 -214.378 PRESSAVG: 1163000 -42.5127 -78.425 -35.9394 -78.425 0.404689 -1.45714 -35.9394 -1.4571 -12.6208 GPRESSAVG: 1163000 -41.5498 -78.1795 -34.6342 -77.2736 -0.682709 -1.69576 -37.9933 1.64656 -12.2935 TIMING: 1163000 CPU: 3743.01, 0.00317599/step Wall: 3743.01, 0.00317599/step, 3.38508 hours remaining, 230.308594 MB of memory in use. ENERGY: 1163000 4019.1847 20430.6449 14427.6123 248.0156 -203521.5177 2441.2115 0.0000 0.0000 51853.7540 -110101.0946 298.0042 -161954.8486 -109740.4027 297.7071 -97.1076 -76.1156 759980.5114 -18.2429 -18.1753 PRESSURE: 1163200 -37.0859 134.795 42.8237 134.795 329.008 94.8427 42.8243 94.8416 270.224 GPRESSURE: 1163200 -32.7815 106.647 30.3524 203.837 469.378 180.466 -11.3745 -51.2292 199.942 PRESSAVG: 1163200 -4.53787 -49.4555 -26.1844 -49.4555 0.964744 -25.4224 -26.1844 -25.4224 -10.5135 GPRESSAVG: 1163200 -5.26532 -50.0795 -27.1533 -51.7179 1.61914 -26.1082 -25.8323 -28.285 -10.994 TIMING: 1163200 CPU: 3743.65, 0.0031858/step Wall: 3743.65, 0.0031858/step, 3.39535 hours remaining, 230.308594 MB of memory in use. ENERGY: 1163200 3891.8541 20518.7123 14391.4247 269.9283 -203944.3186 2818.3748 0.0000 0.0000 51719.4598 -110334.5645 297.2324 -162054.0244 -109969.8802 298.0189 187.3820 212.1795 759612.6053 -4.6955 -4.8801 PRESSURE: 1163400 47.9871 -110.037 -108.699 -110.036 -95.3633 261.018 -108.698 261.018 161.301 GPRESSURE: 1163400 80.8213 -100.041 -88.6986 8.82178 -106.206 260.658 -187.249 289.348 238.477 PRESSAVG: 1163400 11.4982 -30.332 -15.4139 -30.3319 11.9342 6.6815 -15.4139 6.68147 5.32116 GPRESSAVG: 1163400 10.3452 -28.61 -16.3751 -29.0691 11.756 5.92982 -16.1065 8.32917 5.98341 TIMING: 1163400 CPU: 3744.28, 0.00317837/step Wall: 3744.28, 0.00317837/step, 3.38726 hours remaining, 230.308594 MB of memory in use. ENERGY: 1163400 3897.5464 20435.3547 14441.6461 262.0703 -203769.5812 2358.2042 0.0000 0.0000 51895.7336 -110479.0257 298.2455 -162374.7593 -110116.5487 297.3850 37.9748 71.0308 758276.7183 9.5845 9.3615 PRESSURE: 1163600 -154.411 10.9985 153.834 10.9983 -458.768 78.3886 153.834 78.3897 -318.683 GPRESSURE: 1163600 -209.809 -53.5064 249.615 133.492 -316.566 -22.5583 171.556 199.252 -326.377 PRESSAVG: 1163600 3.89911 -54.1573 14.9472 -54.1572 -49.8805 26.9595 14.9471 26.9594 16.0937 GPRESSAVG: 1163600 4.14879 -55.6905 16.0182 -53.9837 -49.4796 27.6298 15.0629 26.1312 14.7658 TIMING: 1163600 CPU: 3744.92, 0.00318288/step Wall: 3744.92, 0.00318288/step, 3.39189 hours remaining, 230.308594 MB of memory in use. ENERGY: 1163600 3996.0737 20447.0570 14500.4925 249.7646 -203269.0379 2117.2090 0.0000 0.0000 51822.5548 -110135.8863 297.8249 -161958.4411 -109789.3108 297.8288 -310.6208 -284.2505 759362.4714 -9.9626 -10.1883 PRESSURE: 1163800 -247.904 -184.797 65.8328 -184.798 160.841 -37.2789 65.8331 -37.2784 -163.226 GPRESSURE: 1163800 -221.473 -170.386 40.0208 -94.9021 192.019 -127.079 40.3314 19.1458 -122.018 PRESSAVG: 1163800 15.127 -12.919 37.7144 -12.9189 -65.4783 -29.3242 37.7145 -29.3242 -42.9724 GPRESSAVG: 1163800 13.8179 -10.3893 37.6743 -13.4576 -64.8735 -27.8675 39.9503 -28.4003 -41.9315 TIMING: 1163800 CPU: 3745.56, 0.00318603/step Wall: 3745.56, 0.00318603/step, 3.39507 hours remaining, 230.308594 MB of memory in use. ENERGY: 1163800 3909.1326 20413.4960 14428.8527 235.0959 -203303.4031 2327.9766 0.0000 0.0000 51786.6367 -110202.2125 297.6185 -161988.8492 -109847.5681 297.8893 -83.4294 -50.4907 760880.2724 -31.1079 -30.9957 PRESSURE: 1164000 106.3 -171.227 -367.334 -171.227 272.681 49.5924 -367.335 49.592 -186.542 GPRESSURE: 1164000 189.329 -195.145 -319.254 -103.241 229.883 -37.3048 -335.873 59.1341 -145.713 PRESSAVG: 1164000 1.36089 -72.8768 -34.1185 -72.8767 22.6463 9.72937 -34.1185 9.72929 4.63586 GPRESSAVG: 1164000 2.16571 -75.5541 -34.1661 -71.2061 22.0936 8.71712 -35.1565 8.2452 4.28335 TIMING: 1164000 CPU: 3746.19, 0.00319515/step Wall: 3746.19, 0.00319515/step, 3.40461 hours remaining, 230.308594 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: 1164000 3926.9532 20401.4953 14471.6339 257.0457 -203802.8174 2565.6579 0.0000 0.0000 52112.9342 -110067.0972 299.4937 -162180.0314 -109697.4883 298.4133 64.1464 91.1666 759684.2245 9.5477 9.5142 PRESSURE: 1164200 453.443 49.8183 11.8015 49.818 244.715 -104.663 11.8014 -104.664 415.457 GPRESSURE: 1164200 500.878 16.8855 -19.3795 68.3724 260.067 -147.312 86.7529 -0.677289 420.516 PRESSAVG: 1164200 -5.63358 -50.1193 -23.3612 -50.1193 11.0261 20.5415 -23.3612 20.5416 -10.8996 GPRESSAVG: 1164200 -5.44104 -52.04 -24.4842 -51.4432 10.7022 21.2972 -21.7749 21.2535 -10.4055 TIMING: 1164200 CPU: 3746.83, 0.00319131/step Wall: 3746.83, 0.00319131/step, 3.40034 hours remaining, 230.308594 MB of memory in use. ENERGY: 1164200 3926.7447 20333.8320 14498.4318 255.8600 -203878.4453 2739.2973 0.0000 0.0000 51928.4696 -110195.8099 298.4336 -162124.2795 -109828.4899 298.0166 371.2051 393.8202 757593.8409 -1.8357 -1.7148 LDB: ============= START OF LOAD BALANCING ============== 3759.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3759.26 LDB: =============== DONE WITH MIGRATION ================ 3759.26 LDB: ============= START OF LOAD BALANCING ============== 3759.58 LDB: Largest compute 7033 load 0.035879 is 18.4% of average load 0.195152 LDB: Average compute 0.004390 is 2.2% of average load 0.195152 LDB: TIME 3759.58 LOAD: AVG 0.195152 MAX 0.213113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.457 MB LDB: TIME 3759.58 LOAD: AVG 0.195152 MAX 0.213113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: TIME 3759.58 LOAD: AVG 0.195152 MAX 0.213113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: ============== END OF LOAD BALANCING =============== 3759.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3759.59 PRESSURE: 1164400 -152.19 173.633 253.83 173.633 -209.972 -26.9782 253.83 -26.9785 -102.278 GPRESSURE: 1164400 -214.594 29.9754 270.173 189.168 -105.247 -35.1516 141.55 118.497 -64.248 PRESSAVG: 1164400 26.345 -66.8326 14.2565 -66.8326 -9.75377 -7.48266 14.2564 -7.48262 -12.1953 GPRESSAVG: 1164400 25.0675 -64.2181 14.6584 -66.6242 -8.95731 -8.13095 12.8197 -7.18854 -12.0977 TIMING: 1164400 CPU: 3747.49, 0.00326181/step Wall: 3747.49, 0.00326181/step, 3.47528 hours remaining, 232.226562 MB of memory in use. ENERGY: 1164400 3946.5764 20564.1797 14420.4515 249.8012 -203847.9663 2511.2473 0.0000 0.0000 51994.6647 -110161.0454 298.8141 -162155.7101 -109802.2752 298.1370 -154.8132 -128.0297 760758.6490 1.4653 1.3375 PRESSURE: 1164600 -280.231 -96.1844 -38.2015 -96.1848 256.06 -252.112 -38.2025 -252.113 198.293 GPRESSURE: 1164600 -218.368 -97.8362 57.4753 94.602 273.766 -276.069 -134.44 -146.813 192.958 PRESSAVG: 1164600 -34.1062 -11.6005 62.1709 -11.6006 40.3273 58.0497 62.1709 58.0496 24.7414 GPRESSAVG: 1164600 -33.6416 -10.995 64.0996 -10.6989 41.1462 58.4833 59.0304 57.9877 23.5935 TIMING: 1164600 CPU: 3748.12, 0.00319222/step Wall: 3748.12, 0.00319222/step, 3.40096 hours remaining, 232.429688 MB of memory in use. ENERGY: 1164600 4008.1608 20304.3428 14462.9264 244.0407 -203959.9740 2714.8073 0.0000 0.0000 51979.7724 -110245.9237 298.7285 -162225.6961 -109896.2662 297.9904 58.0406 82.7854 759912.1004 10.3208 10.3660 PRESSURE: 1164800 64.7816 67.3046 -87.884 67.3038 167.867 143.814 -87.8837 143.814 74.6657 GPRESSURE: 1164800 104.511 39.8698 -142.881 -0.422678 145.277 102.909 71.4239 -37.6673 138.55 PRESSAVG: 1164800 -16.5891 -1.00198 -4.255 -1.00196 -4.99433 5.80899 -4.25502 5.809 -19.0692 GPRESSAVG: 1164800 -16.5607 1.73702 -7.15305 -1.70179 -6.58874 6.46631 -0.62899 4.49078 -17.8954 TIMING: 1164800 CPU: 3748.76, 0.00319304/step Wall: 3748.76, 0.00319304/step, 3.40165 hours remaining, 232.429688 MB of memory in use. ENERGY: 1164800 4009.5157 20288.6640 14459.1591 251.8739 -203913.1089 2586.5881 0.0000 0.0000 51770.2062 -110547.1019 297.5241 -162317.3081 -110181.9028 297.5697 102.4380 129.4461 759211.9786 -13.5509 -13.6816 PRESSURE: 1165000 -429.985 -19.2983 325.07 -19.2975 -134.697 369.012 325.07 369.013 105.172 GPRESSURE: 1165000 -337.054 -66.9305 307.644 -5.34265 -125.347 343.527 262.296 268.988 87.8958 PRESSAVG: 1165000 4.40219 -13.0593 58.3482 -13.0593 -1.28841 11.1903 58.3482 11.1903 -6.51816 GPRESSAVG: 1165000 4.38867 -15.3533 57.1701 -12.152 0.013436 11.2062 57.055 10.3353 -6.98026 TIMING: 1165000 CPU: 3749.4, 0.00320233/step Wall: 3749.4, 0.00320233/step, 3.41137 hours remaining, 232.429688 MB of memory in use. ENERGY: 1165000 4049.1566 20640.6172 14493.3851 237.8257 -203607.5900 2240.9214 0.0000 0.0000 51664.6557 -110281.0284 296.9175 -161945.6840 -109939.1393 296.9768 -153.1698 -124.8349 759374.5400 -1.1348 -0.8594 PRESSURE: 1165200 -227.454 -246.473 -111.527 -246.473 -224.242 -143.937 -111.527 -143.937 19.8702 GPRESSURE: 1165200 -223.987 -188.153 -111.14 -203.683 -114.27 -105.368 -80.3448 -39.9987 -6.17277 PRESSAVG: 1165200 4.09848 -21.2198 -12.3343 -21.2197 7.79727 59.2988 -12.3344 59.2988 0.752977 GPRESSAVG: 1165200 5.43463 -21.8909 -7.59477 -20.0403 7.88049 59.6708 -13.4927 60.5612 -0.39491 TIMING: 1165200 CPU: 3750.04, 0.00316221/step Wall: 3750.04, 0.00316221/step, 3.36846 hours remaining, 232.429688 MB of memory in use. ENERGY: 1165200 3916.1295 20527.7063 14405.1607 235.6304 -203439.3457 2434.5328 0.0000 0.0000 51801.4979 -110118.6882 297.7039 -161920.1861 -109759.7773 297.5796 -143.9420 -114.8100 758242.6088 4.2162 4.3067 PRESSURE: 1165400 -193.719 -202.856 23.3942 -202.855 -332.673 -47.8892 23.3942 -47.8894 169.77 GPRESSURE: 1165400 -141.627 -176.559 15.0602 -184.01 -309.227 -5.77683 34.5195 61.7148 176.418 PRESSAVG: 1165400 26.8716 -38.9785 23.0574 -38.9784 -11.7373 1.62884 23.0574 1.6289 14.2709 GPRESSAVG: 1165400 25.4703 -38.5222 20.2278 -39.0825 -12.3635 -0.270723 26.4073 -0.512159 16.4878 TIMING: 1165400 CPU: 3750.67, 0.00319379/step Wall: 3750.67, 0.00319379/step, 3.40191 hours remaining, 232.429688 MB of memory in use. ENERGY: 1165400 4017.2690 20369.2450 14446.3208 252.0151 -203264.3862 2253.3765 0.0000 0.0000 51908.4310 -110017.7288 298.3185 -161926.1598 -109663.5156 298.0294 -118.8738 -91.4789 760365.6431 9.8017 9.8649 PRESSURE: 1165600 -37.7057 189.272 32.9444 189.272 -298.166 -81.1013 32.9449 -81.1012 231.336 GPRESSURE: 1165600 -14.0778 177.909 48.5528 18.6057 -274.042 -48.2024 94.8647 -28.3543 255.863 PRESSAVG: 1165600 -2.524 -2.71653 57.2908 -2.71655 -11.2149 16.6678 57.2908 16.6678 -3.96312 GPRESSAVG: 1165600 -3.16651 -2.87915 58.3546 -3.01478 -10.4593 15.8596 52.5405 19.4069 -4.54108 TIMING: 1165600 CPU: 3751.32, 0.00321129/step Wall: 3751.32, 0.00321129/step, 3.42038 hours remaining, 232.429688 MB of memory in use. ENERGY: 1165600 3980.0232 20420.6703 14475.1561 247.7315 -203219.0535 2449.9579 0.0000 0.0000 51692.6754 -109952.8390 297.0785 -161645.5144 -109585.7707 297.9952 -34.8454 -10.7521 759822.1076 -5.9007 -6.0556 PRESSURE: 1165800 47.9221 -107.904 116.977 -107.903 133.839 119.32 116.977 119.32 40.6806 GPRESSURE: 1165800 120.387 -236.924 156.345 -119.941 174.389 125.864 127.494 207.793 16.1103 PRESSAVG: 1165800 17.9834 -29.1808 -30.6831 -29.1808 -57.7589 13.616 -30.6831 13.616 -2.31368 GPRESSAVG: 1165800 19.2693 -32.5314 -30.8693 -27.0126 -57.5855 16.2467 -28.0627 13.809 -4.07166 TIMING: 1165800 CPU: 3751.95, 0.00314833/step Wall: 3751.95, 0.00314833/step, 3.35315 hours remaining, 232.429688 MB of memory in use. ENERGY: 1165800 3855.1690 20477.8810 14426.2410 259.4514 -203056.0750 2326.5872 0.0000 0.0000 51654.7442 -110056.0012 296.8605 -161710.7454 -109695.0819 298.0170 74.1471 103.6288 761055.3293 -14.0297 -14.1293 PRESSURE: 1166000 128.968 -20.1907 -190.135 -20.1907 85.1443 -51.3626 -190.136 -51.3621 145.422 GPRESSURE: 1166000 124.372 76.9659 -141.832 34.5479 94.2721 -28.0051 -179.096 3.05604 208.902 PRESSAVG: 1166000 -24.4706 -45.4384 51.9942 -45.4384 46.6651 30.0993 51.9941 30.0993 7.45223 GPRESSAVG: 1166000 -25.1186 -42.4582 51.2668 -50.0734 45.634 29.8564 52.5151 30.3224 9.49661 TIMING: 1166000 CPU: 3752.58, 0.00318595/step Wall: 3752.58, 0.00318595/step, 3.39304 hours remaining, 232.429688 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: 1166000 3982.0796 20580.6308 14402.9488 236.8348 -203387.1941 2558.8562 0.0000 0.0000 51667.1863 -109958.6575 296.9320 -161625.8439 -109608.3213 297.7697 119.8451 142.5153 759716.7821 9.8823 10.0040 PRESSURE: 1166200 -286.639 -57.3023 111.193 -57.3023 -501.111 -298.553 111.193 -298.553 179.612 GPRESSURE: 1166200 -255.648 -144.62 124.007 -15.1722 -414.731 -295.605 73.135 -153.564 141.844 PRESSAVG: 1166200 -7.28099 -1.71065 16.2002 -1.71064 -19.242 -12.2603 16.2002 -12.2604 -10.9139 GPRESSAVG: 1166200 -7.10526 -2.3921 17.4265 -0.618099 -18.4868 -12.4009 15.911 -12.1592 -12.0138 TIMING: 1166200 CPU: 3753.22, 0.0031725/step Wall: 3753.22, 0.0031725/step, 3.37854 hours remaining, 232.429688 MB of memory in use. ENERGY: 1166200 3989.3333 20376.4793 14381.5863 223.7116 -203171.0438 2354.5026 0.0000 0.0000 51978.9526 -109866.4781 298.7238 -161845.4308 -109503.2918 298.1055 -202.7127 -176.1783 761587.5980 -12.4790 -12.5353 PRESSURE: 1166400 155.226 -115.389 -49.7048 -115.39 121.835 -32.8754 -49.705 -32.8752 -286.051 GPRESSURE: 1166400 148.734 -115.226 -0.927661 -31.9919 173.641 -113.299 -102.072 63.7087 -229.622 PRESSAVG: 1166400 48.4313 -14.8438 -37.8374 -14.8438 -63.9129 -8.52386 -37.8374 -8.52385 -10.2743 GPRESSAVG: 1166400 47.5954 -15.7393 -38.9518 -14.4822 -63.6637 -9.13427 -39.0513 -8.40984 -9.24906 TIMING: 1166400 CPU: 3753.85, 0.00316068/step Wall: 3753.85, 0.00316068/step, 3.36577 hours remaining, 232.429688 MB of memory in use. ENERGY: 1166400 3932.4652 20432.3937 14397.7610 245.0831 -203103.4620 2347.9928 0.0000 0.0000 51869.1095 -109878.6566 298.0925 -161747.7662 -109519.5421 298.7190 -2.9964 30.9177 760084.1823 -8.5853 -8.4391 PRESSURE: 1166600 -167.457 -19.1855 -60.8497 -19.1852 -374.641 112.509 -60.8508 112.509 -59.0543 GPRESSURE: 1166600 -95.5919 19.9951 -83.1129 -39.4107 -351.026 115.498 5.29996 158.817 -55.2749 PRESSAVG: 1166600 4.75366 -68.5194 -6.83037 -68.5194 22.188 44.7412 -6.83036 44.7411 10.5859 GPRESSAVG: 1166600 5.9475 -66.2202 -7.12859 -67.4914 22.3678 45.1437 -5.16471 44.7434 9.00753 TIMING: 1166600 CPU: 3754.49, 0.00319325/step Wall: 3754.49, 0.00319325/step, 3.40028 hours remaining, 232.429688 MB of memory in use. ENERGY: 1166600 3996.4863 20358.7938 14441.8638 247.8173 -203377.2867 2512.5841 0.0000 0.0000 52005.8922 -109813.8492 298.8786 -161819.7414 -109446.9085 298.5503 -200.3843 -167.2977 762467.1474 12.5092 12.4409 PRESSURE: 1166800 90.0312 -16.728 159.12 -16.7265 229.81 74.7878 159.119 74.7876 103.926 GPRESSURE: 1166800 124.053 -94.6509 93.4068 79.4945 222.321 143.394 100.414 -52.4843 144.984 PRESSAVG: 1166800 30.9137 -51.839 30.5163 -51.839 -38.8274 -6.01814 30.5163 -6.01815 -3.06305 GPRESSAVG: 1166800 30.4245 -52.6227 30.9341 -52.7642 -38.9059 -6.56951 29.9833 -8.69302 -2.66806 TIMING: 1166800 CPU: 3755.13, 0.00320534/step Wall: 3755.13, 0.00320534/step, 3.41298 hours remaining, 232.429688 MB of memory in use. ENERGY: 1166800 3925.3055 20504.9920 14497.0928 260.6108 -203642.7715 2563.1179 0.0000 0.0000 52139.0239 -109752.6286 299.6437 -161891.6525 -109388.1286 298.9384 141.2559 163.7861 759630.9325 -3.6589 -3.7165 PRESSURE: 1167000 305.473 -208.364 112.99 -208.363 127.193 -188.328 112.989 -188.328 -261.589 GPRESSURE: 1167000 188.12 -59.6427 104.097 -106.099 284.696 -189.979 97.5129 -30.4235 -211.424 PRESSAVG: 1167000 30.1985 -34.4458 -4.87348 -34.4458 31.9545 35.183 -4.87346 35.1829 0.418764 GPRESSAVG: 1167000 30.4198 -33.3609 -5.66154 -34.453 31.9766 34.2094 -5.89714 37.263 0.980766 TIMING: 1167000 CPU: 3755.77, 0.00322235/step Wall: 3755.77, 0.00322235/step, 3.43091 hours remaining, 232.429688 MB of memory in use. ENERGY: 1167000 3960.9511 20608.9109 14486.5853 235.5788 -203388.4734 2477.2355 0.0000 0.0000 52011.0427 -109608.1690 298.9082 -161619.2117 -109249.3103 299.3517 57.0256 87.1309 760892.1763 20.8573 21.1257 PRESSURE: 1167200 -124.692 220.973 122.669 220.973 -31.9824 -70.2522 122.669 -70.2523 393.186 GPRESSURE: 1167200 -187.469 62.8441 173.406 88.118 66.2185 -24.4881 140.972 26.1212 448.034 PRESSAVG: 1167200 27.6658 -33.5002 43.2575 -33.5001 -35.3288 -21.4752 43.2575 -21.4752 -9.35581 GPRESSAVG: 1167200 26.6281 -34.8556 43.6952 -33.1882 -35.317 -21.0085 47.1245 -20.5322 -8.8535 TIMING: 1167200 CPU: 3756.41, 0.00318207/step Wall: 3756.41, 0.00318207/step, 3.38784 hours remaining, 232.429688 MB of memory in use. ENERGY: 1167200 3943.7250 20454.6946 14458.8184 247.6488 -203642.2428 2806.2308 0.0000 0.0000 52021.1580 -109709.9672 298.9663 -161731.1252 -109345.1475 299.0930 78.8372 108.9280 760830.1819 -5.6729 -5.8475 PRESSURE: 1167400 4.24997 -32.1956 61.74 -32.1963 -251.491 -71.0883 61.7397 -71.0876 -214.529 GPRESSURE: 1167400 27.325 -6.14611 15.1004 15.1048 -190.675 -85.2458 126.239 24.2326 -210.093 PRESSAVG: 1167400 28.6446 -38.8824 23.4205 -38.8825 -80.137 -11.5383 23.4205 -11.5382 -38.0944 GPRESSAVG: 1167400 28.9365 -39.1264 25.5294 -39.0687 -80.4115 -11.9417 21.775 -12.7591 -37.7662 TIMING: 1167400 CPU: 3757.04, 0.00317118/step Wall: 3757.04, 0.00317118/step, 3.37607 hours remaining, 232.429688 MB of memory in use. ENERGY: 1167400 4029.4909 20453.6214 14412.4197 233.6618 -203122.2113 2180.0397 0.0000 0.0000 52040.3008 -109772.6769 299.0763 -161812.9777 -109411.4988 298.7253 -153.9232 -124.4808 761402.6229 -29.8623 -29.7471 PRESSURE: 1167600 -28.7655 71.2538 54.1319 71.253 -132.472 37.9353 54.1329 37.936 -11.1305 GPRESSURE: 1167600 -12.715 -32.6059 29.4487 1.26259 -97.3287 63.105 1.38615 -71.8163 10.1219 PRESSAVG: 1167600 34.3383 20.638 32.647 20.638 -15.6225 -37.2574 32.647 -37.2574 17.9494 GPRESSAVG: 1167600 35.1338 21.155 32.1931 18.5484 -15.6738 -37.2714 30.3288 -37.9104 17.818 TIMING: 1167600 CPU: 3757.68, 0.00317442/step Wall: 3757.68, 0.00317442/step, 3.37935 hours remaining, 232.429688 MB of memory in use. ENERGY: 1167600 3934.2951 20813.4323 14428.0170 238.1280 -203814.3007 2590.5979 0.0000 0.0000 51912.7566 -109897.0739 298.3433 -161809.8305 -109540.2913 298.5738 -57.4559 -33.3073 760626.8731 12.2217 12.4260 PRESSURE: 1167800 -46.4001 -104.279 -9.60749 -104.279 -50.7744 -81.4381 -9.60631 -81.439 -61.7801 GPRESSURE: 1167800 -82.4212 -149.804 44.5162 -41.8779 -11.3738 -77.9415 90.3006 94.9313 22.1051 PRESSAVG: 1167800 -31.1699 -70.4772 -19.596 -70.4772 24.9556 -0.435032 -19.596 -0.435099 -16.5622 GPRESSAVG: 1167800 -31.3419 -70.4794 -19.453 -66.2327 24.781 -0.947027 -19.6516 1.73251 -16.489 TIMING: 1167800 CPU: 3758.32, 0.00320233/step Wall: 3758.32, 0.00320233/step, 3.40888 hours remaining, 232.429688 MB of memory in use. ENERGY: 1167800 3915.4774 20630.7107 14454.3426 243.3518 -203297.4272 2420.9733 0.0000 0.0000 51989.3978 -109643.1735 298.7838 -161632.5713 -109287.1988 298.6355 -52.9848 -23.8966 759961.4189 -7.5922 -7.6833 PRESSURE: 1168000 -301.566 -227.552 -213.172 -227.551 -194.209 116.962 -213.172 116.961 -35.8318 GPRESSURE: 1168000 -328.9 -154.665 -150.449 -180.683 -71.1983 124.613 -330.325 -26.4808 -41.9389 PRESSAVG: 1168000 6.94088 -31.5248 -30.2795 -31.5248 26.1562 7.32021 -30.2794 7.32016 -4.4864 GPRESSAVG: 1168000 5.98753 -31.7375 -30.1774 -32.8998 26.6254 7.64734 -30.1317 5.23826 -3.58222 TIMING: 1168000 CPU: 3758.96, 0.00322226/step Wall: 3758.96, 0.00322226/step, 3.42992 hours remaining, 232.429688 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: 1168000 3985.6930 20399.3916 14435.6329 248.5953 -202961.5255 2024.5037 0.0000 0.0000 51928.4331 -109939.2760 298.4334 -161867.7091 -109566.9558 298.3682 -177.2024 -147.3458 761322.8027 9.5369 9.6769 PRESSURE: 1168200 -91.6324 136.802 -174.144 136.802 411.893 340.811 -174.144 340.811 393.843 GPRESSURE: 1168200 32.345 133.017 -122.539 229.144 395.424 327.941 -294.42 236.887 361.815 PRESSAVG: 1168200 -7.12533 -52.3667 -15.4594 -52.3668 -16.3024 22.05 -15.4594 22.05 -11.2716 GPRESSAVG: 1168200 -5.48984 -51.7959 -14.4847 -51.3826 -17.6554 22.9746 -17.8276 20.5224 -12.1442 TIMING: 1168200 CPU: 3759.61, 0.00321347/step Wall: 3759.61, 0.00321347/step, 3.42038 hours remaining, 232.429688 MB of memory in use. ENERGY: 1168200 3987.8134 20513.7953 14504.8019 258.2341 -203533.6998 2523.4414 0.0000 0.0000 52002.5606 -109743.0530 298.8594 -161745.6136 -109379.9273 298.0882 238.0346 263.1946 759867.4802 -11.5665 -11.7631 LDB: ============= START OF LOAD BALANCING ============== 3772.03 LDB: ============== END OF LOAD BALANCING =============== 3772.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.04 LDB: ============= START OF LOAD BALANCING ============== 3772.36 LDB: Largest compute 7069 load 0.037300 is 19.1% of average load 0.195210 LDB: Average compute 0.004379 is 2.2% of average load 0.195210 LDB: TIME 3772.36 LOAD: AVG 0.19521 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.312 MB LDB: TIME 3772.36 LOAD: AVG 0.19521 MAX 0.214804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.312 MB LDB: TIME 3772.36 LOAD: AVG 0.19521 MAX 0.214804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.312 MB LDB: ============== END OF LOAD BALANCING =============== 3772.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.37 PRESSURE: 1168400 -248.365 -36.9417 -2.51102 -36.9422 -54.844 -43.1139 -2.5125 -43.1137 146.379 GPRESSURE: 1168400 -153.563 -55.0168 9.68533 19.5683 -67.172 -6.55778 43.8322 -46.6638 154.287 PRESSAVG: 1168400 -62.1942 -36.1491 -32.3755 -36.149 30.4248 76.3383 -32.3755 76.3383 6.02941 GPRESSAVG: 1168400 -63.3768 -36.4117 -34.2323 -36.2085 30.3812 76.9598 -28.2325 76.9174 6.27221 TIMING: 1168400 CPU: 3760.26, 0.00327007/step Wall: 3760.26, 0.00327007/step, 3.48045 hours remaining, 231.593750 MB of memory in use. ENERGY: 1168400 4003.9101 20272.2950 14536.6590 258.2181 -203131.6514 2373.6942 0.0000 0.0000 52000.3607 -109686.5143 298.8468 -161686.8750 -109311.5783 298.7378 -52.2766 -22.1497 760004.3566 -8.5800 -8.9078 PRESSURE: 1168600 -0.664872 4.74585 -13.7162 4.74468 154.065 70.9934 -13.7168 70.9938 -102.178 GPRESSURE: 1168600 75.9764 -48.178 -26.039 -158.046 162.721 2.84172 34.6099 48.015 -83.822 PRESSAVG: 1168600 22.8419 -78.6334 4.2272 -78.6335 -14.5188 49.5452 4.22722 49.5451 -2.41071 GPRESSAVG: 1168600 22.6216 -78.7845 3.59942 -79.6153 -15.7075 48.3566 3.57568 48.2697 -1.67348 TIMING: 1168600 CPU: 3760.9, 0.00320445/step Wall: 3760.9, 0.00320445/step, 3.41043 hours remaining, 231.664062 MB of memory in use. ENERGY: 1168600 4018.4505 20413.0674 14457.4008 232.5716 -203154.0829 2344.3580 0.0000 0.0000 52022.9187 -109665.3159 298.9764 -161688.2346 -109299.9042 299.0354 17.0740 51.6253 760294.5548 1.9708 1.7469 PRESSURE: 1168800 -437.586 146.943 19.256 146.945 -294.278 11.8957 19.2555 11.8961 -156.1 GPRESSURE: 1168800 -450.669 52.6936 6.69449 122.658 -161.707 -64.9927 81.7934 162.334 -172.456 PRESSAVG: 1168800 22.8034 -44.4403 -25.4139 -44.4403 31.0681 43.8124 -25.4139 43.8125 1.07717 GPRESSAVG: 1168800 23.4414 -43.9091 -25.2126 -45.929 32.3725 42.9705 -25.2936 45.4531 -0.41232 TIMING: 1168800 CPU: 3761.54, 0.00319457/step Wall: 3761.54, 0.00319457/step, 3.39973 hours remaining, 231.664062 MB of memory in use. ENERGY: 1168800 3999.4014 20453.9889 14520.5915 247.6398 -203453.6223 2423.2359 0.0000 0.0000 51972.7385 -109836.0263 298.6880 -161808.7648 -109474.5904 298.7217 -295.9881 -261.6105 759598.0563 18.3162 18.4672 PRESSURE: 1169000 96.1609 -342.358 -163.575 -342.358 175.46 19.1205 -163.576 19.1209 -82.3538 GPRESSURE: 1169000 170.838 -248.853 -167.994 -320.683 225.195 -61.0608 -63.3818 -10.3427 -106.588 PRESSAVG: 1169000 -21.4879 -55.424 -32.9059 -55.424 10.8835 9.38445 -32.906 9.38433 -1.13598 GPRESSAVG: 1169000 -22.221 -56.238 -32.391 -54.814 11.1742 8.63231 -34.7482 9.80084 -0.745767 TIMING: 1169000 CPU: 3762.19, 0.00322924/step Wall: 3762.19, 0.00322924/step, 3.43645 hours remaining, 231.664062 MB of memory in use. ENERGY: 1169000 3939.6986 20497.4509 14482.2760 242.2220 -203280.9562 2489.2229 0.0000 0.0000 51641.3219 -109988.7638 296.7834 -161630.0858 -109622.7598 298.4197 63.0890 96.4816 760697.1446 -3.9135 -3.9308 PRESSURE: 1169200 -288.83 -275.486 28.0499 -275.486 -67.5545 67.7154 28.0502 67.7148 13.5872 GPRESSURE: 1169200 -259.127 -237.066 76.5189 -290.215 27.9603 26.5263 58.2079 94.2959 -39.2734 PRESSAVG: 1169200 23.147 -70.0072 -50.1819 -70.0072 -38.6881 57.0682 -50.182 57.0681 -7.50784 GPRESSAVG: 1169200 24.0017 -70.7594 -51.0439 -70.1459 -39.6534 59.7181 -48.4605 55.4909 -7.60481 TIMING: 1169200 CPU: 3762.83, 0.00319614/step Wall: 3762.83, 0.00319614/step, 3.40105 hours remaining, 231.664062 MB of memory in use. ENERGY: 1169200 3966.7262 20629.3267 14450.8350 243.1084 -203530.5273 2452.5158 0.0000 0.0000 51919.4640 -109868.5511 298.3819 -161788.0151 -109514.2385 298.6182 -114.2659 -90.1466 760972.4845 -7.6830 -7.7522 PRESSURE: 1169400 254.853 -10.7957 168.753 -10.7947 467.155 -124.793 168.752 -124.792 145.908 GPRESSURE: 1169400 358.151 -77.7335 215.36 -65.7598 514.608 -236.684 190.913 -134.891 83.4533 PRESSAVG: 1169400 -24.2444 -12.6227 -15.5042 -12.6227 4.10648 76.7298 -15.5042 76.7297 8.92502 GPRESSAVG: 1169400 -25.2169 -12.8425 -14.4452 -12.9183 4.41853 74.8414 -15.2758 77.7292 9.80274 TIMING: 1169400 CPU: 3763.46, 0.0031779/step Wall: 3763.46, 0.0031779/step, 3.38146 hours remaining, 231.664062 MB of memory in use. ENERGY: 1169400 3930.0508 20479.5970 14467.3724 242.4855 -203533.2134 2711.1571 0.0000 0.0000 51890.6823 -109811.8682 298.2165 -161702.5506 -109449.9059 298.4763 289.3054 318.7375 759853.7635 -3.7376 -3.6652 PRESSURE: 1169600 -193.214 -98.2444 11.5785 -98.2437 -107.073 1.17348 11.5782 1.17427 -42.4025 GPRESSURE: 1169600 -99.442 -61.1806 24.7922 -117.558 -135.574 -53.7782 -105.481 50.9475 -3.33706 PRESSAVG: 1169600 0.552259 -23.922 -15.8995 -23.922 18.7249 41.1533 -15.8995 41.1533 -10.0892 GPRESSAVG: 1169600 0.153192 -22.8561 -17.901 -23.3757 18.6819 41.7654 -15.2573 42.3587 -9.62426 TIMING: 1169600 CPU: 3764.09, 0.00316603/step Wall: 3764.09, 0.00316603/step, 3.36865 hours remaining, 231.664062 MB of memory in use. ENERGY: 1169600 4001.2554 20442.5949 14382.9245 247.3827 -203041.2246 2169.8895 0.0000 0.0000 51708.8260 -110088.3516 297.1713 -161797.1776 -109734.1092 298.3670 -114.2297 -79.4509 759754.9816 3.0626 3.0703 PRESSURE: 1169800 -132.213 -170.431 33.4199 -170.431 199.288 137.588 33.4192 137.587 80.4373 GPRESSURE: 1169800 -168.227 -251.981 43.3916 -114.755 293.623 188.552 -92.1357 125.95 108.181 PRESSAVG: 1169800 -27.8808 -44.3116 -1.65125 -44.3117 38.9713 9.72605 -1.65126 9.72612 -15.3818 GPRESSAVG: 1169800 -27.7359 -45.6271 0.294477 -42.6723 38.2725 11.3439 -4.03309 9.53205 -15.2257 TIMING: 1169800 CPU: 3764.73, 0.00318131/step Wall: 3764.73, 0.00318131/step, 3.38474 hours remaining, 231.664062 MB of memory in use. ENERGY: 1169800 3920.6709 20333.5946 14456.3811 256.3752 -203561.0751 2506.1982 0.0000 0.0000 52030.2845 -110057.5706 299.0188 -162087.8551 -109691.1435 298.3916 49.1709 77.8593 760515.3684 -1.4305 -1.5630 PRESSURE: 1170000 390.332 126.837 -169.25 126.838 -472.95 62.8735 -169.25 62.8744 54.8312 GPRESSURE: 1170000 404.944 119.279 -193.726 2.06974 -360.013 71.1083 -186.459 -105.079 24.7428 PRESSAVG: 1170000 -38.4365 7.87381 -44.2312 7.8738 20.3889 -21.7866 -44.2312 -21.7865 9.3065 GPRESSAVG: 1170000 -40.0896 8.22206 -44.9169 7.85054 21.49 -23.2189 -43.5321 -22.2044 8.95399 TIMING: 1170000 CPU: 3765.37, 0.00318286/step Wall: 3765.37, 0.00318286/step, 3.38621 hours remaining, 231.664062 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: 1170000 3917.2804 20447.0632 14438.8825 247.9901 -203405.0934 2436.9167 0.0000 0.0000 51677.8242 -110239.1363 296.9932 -161916.9605 -109878.2143 298.3051 -9.2625 23.2245 759085.4809 -2.9137 -3.2152 PRESSURE: 1170200 -383.825 122.793 -116.91 122.793 97.6779 31.9433 -116.91 31.9424 -358.872 GPRESSURE: 1170200 -278.396 104.044 -93.3063 209.059 52.3526 23.425 -15.9638 109.908 -353.613 PRESSAVG: 1170200 3.71247 8.62561 -51.215 8.62562 16.5849 9.29911 -51.2151 9.29914 8.54625 GPRESSAVG: 1170200 4.88535 8.15924 -52.1184 7.63788 15.4081 10.6299 -52.1582 6.64112 8.63754 TIMING: 1170200 CPU: 3766.01, 0.00320441/step Wall: 3766.01, 0.00320441/step, 3.40896 hours remaining, 231.863281 MB of memory in use. ENERGY: 1170200 4025.6190 20229.9712 14471.0412 230.9342 -203470.5710 2481.8259 0.0000 0.0000 51897.2019 -110133.9776 298.2539 -162031.1795 -109784.2857 298.0693 -215.0062 -193.2187 759052.6181 9.6145 9.6437 PRESSURE: 1170400 189.988 -109.443 -70.8822 -109.443 -255.842 94.0819 -70.8818 94.0823 78.2863 GPRESSURE: 1170400 162.914 -51.1253 -81.1708 -25.2057 -183.026 21.1261 69.8184 -87.2901 100.657 PRESSAVG: 1170400 43.6259 -15.9939 15.3741 -15.9939 -55.445 44.535 15.3741 44.5349 -12.9709 GPRESSAVG: 1170400 43.7653 -15.4513 16.6848 -15.7353 -55.221 42.5303 17.6574 47.7313 -13.1845 TIMING: 1170400 CPU: 3766.66, 0.00324159/step Wall: 3766.66, 0.00324159/step, 3.44834 hours remaining, 231.863281 MB of memory in use. ENERGY: 1170400 3997.9731 20354.7250 14481.5883 259.3261 -203257.3337 2299.9157 0.0000 0.0000 51855.7808 -110008.0248 298.0159 -161863.8056 -109656.7645 297.7676 4.1441 26.8486 759123.2518 -8.2633 -8.2134 PRESSURE: 1170600 -20.0727 -59.7644 -54.5904 -59.764 -65.7634 -161.891 -54.5909 -161.892 -610.105 GPRESSURE: 1170600 25.7472 -69.7416 -37.2996 0.413158 -71.0223 -214.41 25.3568 -133.364 -543.586 PRESSAVG: 1170600 -16.6107 -75.9817 -2.5541 -75.9816 18.7891 1.93434 -2.55408 1.93431 -34.4788 GPRESSAVG: 1170600 -16.0613 -73.5657 -3.38767 -75.9776 19.4258 2.87352 -3.06431 3.30641 -34.7119 TIMING: 1170600 CPU: 3767.3, 0.00321056/step Wall: 3767.3, 0.00321056/step, 3.41514 hours remaining, 231.863281 MB of memory in use. ENERGY: 1170600 4017.0350 20339.3914 14473.4810 244.6081 -203562.5360 2534.9983 0.0000 0.0000 52015.9866 -109937.0356 298.9366 -161953.0222 -109578.8038 298.1571 -231.9805 -196.2870 760524.9948 -10.7668 -10.4492 PRESSURE: 1170800 -20.4787 93.6938 13.5509 93.6933 201.012 -40.7493 13.5509 -40.7499 105.105 GPRESSURE: 1170800 78.2463 88.5753 32.6118 128.388 178.655 16.6941 -16.395 -64.353 122.506 PRESSAVG: 1170800 23.6626 -54.9482 -36.5029 -54.9482 -29.9682 43.9336 -36.503 43.9336 -0.577524 GPRESSAVG: 1170800 23.4554 -56.8532 -37.6677 -53.9916 -28.9716 44.5172 -35.5594 42.7371 -1.00378 TIMING: 1170800 CPU: 3767.94, 0.00319902/step Wall: 3767.94, 0.00319902/step, 3.40269 hours remaining, 231.863281 MB of memory in use. ENERGY: 1170800 3962.9219 20389.0478 14501.9117 260.9172 -203393.4772 2380.0765 0.0000 0.0000 52170.4063 -109728.1959 299.8240 -161898.6022 -109360.3173 298.3883 95.2129 126.4690 759695.7849 -2.2944 -2.1733 PRESSURE: 1171000 -126.565 -108.692 -153.942 -108.692 -116.289 442.675 -153.942 442.674 32.4356 GPRESSURE: 1171000 -81.8815 -30.6533 -94.5 -87.5564 -106.653 450.022 -8.23241 312.457 56.2418 PRESSAVG: 1171000 -6.36624 2.27423 -5.13384 2.27428 1.54668 -3.67993 -5.13382 -3.67992 8.34342 GPRESSAVG: 1171000 -5.7141 1.93704 -1.93693 0.350134 -1.24807 -4.06961 -8.03087 -4.115 9.83297 TIMING: 1171000 CPU: 3768.58, 0.00319571/step Wall: 3768.58, 0.00319571/step, 3.39899 hours remaining, 231.863281 MB of memory in use. ENERGY: 1171000 3997.5354 20557.2294 14494.5747 242.6936 -203520.3621 2624.6103 0.0000 0.0000 51946.9714 -109656.7472 298.5400 -161603.7186 -109298.4696 298.6516 -70.1395 -44.0976 760559.4927 1.1746 0.9569 PRESSURE: 1171200 -226.133 63.141 227.397 63.1414 60.5021 -47.4751 227.397 -47.4749 49.7819 GPRESSURE: 1171200 -186.215 30.1282 176.31 -10.014 105.069 -13.5355 264.095 -51.2328 51.1161 PRESSAVG: 1171200 12.6601 10.1304 -29.0394 10.1303 -6.74142 6.94715 -29.0394 6.9472 -9.58092 GPRESSAVG: 1171200 13.6097 9.324 -31.113 11.2905 -5.99927 8.40262 -27.6313 4.87166 -11.1921 TIMING: 1171200 CPU: 3769.21, 0.00316211/step Wall: 3769.21, 0.00316211/step, 3.36308 hours remaining, 231.863281 MB of memory in use. ENERGY: 1171200 3936.1653 20483.5190 14406.4244 243.7354 -203258.6945 2556.1586 0.0000 0.0000 52135.0471 -109497.6447 299.6208 -161632.6919 -109120.6307 299.1715 -38.6163 -10.0100 761662.1342 -1.2208 -1.1939 PRESSURE: 1171400 -373.177 12.8658 -97.1027 12.8663 -109.638 -31.7675 -97.103 -31.7668 -104.243 GPRESSURE: 1171400 -353.687 -79.1626 -59.6062 -97.2203 -71.3587 -35.3914 70.1186 -1.71952 -71.5215 PRESSAVG: 1171400 -19.5571 -41.557 -40.0503 -41.557 28.1064 -5.44058 -40.0503 -5.44059 10.7569 GPRESSAVG: 1171400 -20.8956 -38.2742 -40.4796 -43.0714 29.1121 -7.07442 -37.5741 -2.29446 10.9619 TIMING: 1171400 CPU: 3769.84, 0.00315535/step Wall: 3769.84, 0.00315535/step, 3.35571 hours remaining, 231.863281 MB of memory in use. ENERGY: 1171400 3995.7541 20687.7253 14481.5169 245.1992 -203111.5944 2276.5781 0.0000 0.0000 51979.8965 -109444.9242 298.7292 -161424.8208 -109099.4563 299.0672 -195.6858 -165.5223 762131.5869 6.4354 6.3928 PRESSURE: 1171600 -121.992 -75.1234 -48.5211 -75.123 33.9875 -86.5029 -48.5211 -86.5033 -274.239 GPRESSURE: 1171600 -46.2686 -60.9819 34.186 -3.87874 52.2248 -258.206 -85.5274 -3.44991 -270.12 PRESSAVG: 1171600 35.9854 -28.4887 -13.2408 -28.4887 2.63427 -42.5727 -13.2408 -42.5727 -12.2046 GPRESSAVG: 1171600 36.1702 -29.5636 -12.6398 -27.9898 0.833432 -40.8268 -14.8121 -45.7531 -11.194 TIMING: 1171600 CPU: 3770.48, 0.0031996/step Wall: 3770.48, 0.0031996/step, 3.40259 hours remaining, 231.863281 MB of memory in use. ENERGY: 1171600 3991.0541 20449.3536 14509.7204 265.5478 -203304.4885 2547.8787 0.0000 0.0000 51909.7970 -109631.1370 298.3263 -161540.9340 -109274.0849 298.7046 -120.7479 -88.0545 760748.0865 8.8050 8.6032 PRESSURE: 1171800 -59.2969 0.830773 90.0358 0.829557 137.68 34.2824 90.0359 34.2821 45.4361 GPRESSURE: 1171800 73.9115 -39.1821 162.312 -52.1996 74.3627 84.3277 12.0904 173.063 65.0011 PRESSAVG: 1171800 28.0372 -51.7226 -13.202 -51.7226 -38.3745 -18.1622 -13.202 -18.1623 -6.75302 GPRESSAVG: 1171800 28.9781 -52.6799 -13.237 -50.3695 -38.4723 -17.2305 -12.8574 -14.8603 -7.87229 TIMING: 1171800 CPU: 3771.12, 0.0031806/step Wall: 3771.12, 0.0031806/step, 3.38221 hours remaining, 231.863281 MB of memory in use. ENERGY: 1171800 4006.3731 20479.0496 14546.8152 243.6201 -203380.7179 2547.6211 0.0000 0.0000 51943.1079 -109614.1309 298.5178 -161557.2388 -109262.8324 298.9294 41.2732 71.0918 759570.1333 -5.6968 -5.7888 PRESSURE: 1172000 162.582 -71.6829 -30.8563 -71.6832 -5.35727 -127.687 -30.8562 -127.688 -108.906 GPRESSURE: 1172000 112.161 72.7766 -55.1032 -100.252 48.4226 -159.243 -33.7665 -75.1628 -23.8551 PRESSAVG: 1172000 25.6923 -24.139 -9.87492 -24.139 14.0345 -6.62687 -9.87495 -6.62686 8.4963 GPRESSAVG: 1172000 24.751 -23.0808 -9.76567 -25.4904 14.2543 -9.65182 -12.25 -7.15729 9.31917 TIMING: 1172000 CPU: 3771.76, 0.00319274/step Wall: 3771.76, 0.00319274/step, 3.39494 hours remaining, 231.863281 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: 1172000 4016.2681 20455.4052 14498.6379 263.6679 -202863.1955 1985.0371 0.0000 0.0000 51988.3739 -109655.8055 298.7779 -161644.1794 -109285.0587 299.0216 16.1062 45.5761 759333.5573 16.0743 16.1082 PRESSURE: 1172200 97.6874 48.0778 -66.2598 48.078 410.179 -102.551 -66.2604 -102.55 -401.78 GPRESSURE: 1172200 242.442 107.686 -34.8346 152.093 392.781 -96.3871 -186.065 -39.4588 -452.413 PRESSAVG: 1172200 13.5082 -19.0253 -11.0915 -19.0252 -14.6696 6.78427 -11.0915 6.78432 24.1747 GPRESSAVG: 1172200 13.4813 -19.4685 -11.7635 -18.0267 -13.8276 6.43809 -10.4717 8.10351 23.6976 TIMING: 1172200 CPU: 3772.39, 0.00318514/step Wall: 3772.39, 0.00318514/step, 3.38669 hours remaining, 231.863281 MB of memory in use. ENERGY: 1172200 3964.0093 20308.5759 14530.7140 241.6337 -203349.9823 2399.1402 0.0000 0.0000 52112.1397 -109793.7696 299.4892 -161905.9093 -109410.5452 298.7044 35.3621 60.9366 758915.8741 7.6711 7.7838 LDB: ============= START OF LOAD BALANCING ============== 3784.82 LDB: ============== END OF LOAD BALANCING =============== 3784.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.82 LDB: ============= START OF LOAD BALANCING ============== 3785.14 LDB: Largest compute 7069 load 0.036620 is 18.8% of average load 0.195282 LDB: Average compute 0.004401 is 2.3% of average load 0.195282 LDB: TIME 3785.14 LOAD: AVG 0.195282 MAX 0.215333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.699 MB LDB: TIME 3785.14 LOAD: AVG 0.195282 MAX 0.215333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.699 MB LDB: TIME 3785.14 LOAD: AVG 0.195282 MAX 0.215333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.699 MB LDB: ============== END OF LOAD BALANCING =============== 3785.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3785.15 PRESSURE: 1172400 116.9 146.642 43.7402 146.642 92.1393 -76.1798 43.7391 -76.1803 -164.147 GPRESSURE: 1172400 235.134 64.3765 32.0882 208.087 19.6171 -45.4679 128.35 -121.266 -123.539 PRESSAVG: 1172400 19.4356 -11.3462 28.9673 -11.3462 29.7099 -9.48419 28.9674 -9.48419 7.61299 GPRESSAVG: 1172400 18.3695 -10.9606 29.7189 -12.0067 29.427 -7.45206 28.8217 -10.4728 8.71077 TIMING: 1172400 CPU: 3773.05, 0.0032639/step Wall: 3773.05, 0.0032639/step, 3.47025 hours remaining, 233.449219 MB of memory in use. ENERGY: 1172400 3950.5316 20508.1203 14561.3738 228.8508 -203561.2370 2413.4113 0.0000 0.0000 51894.2642 -110004.6850 298.2370 -161898.9492 -109646.8593 298.7022 14.9643 43.7375 760835.2634 18.9195 18.8358 PRESSURE: 1172600 -237.961 -301.575 16.5362 -301.574 214.308 -64.7596 16.5358 -64.7601 -11.0408 GPRESSURE: 1172600 -69.4045 -187.851 -52.2403 -195.932 155.962 -114.225 117.438 -90.8936 -47.3269 PRESSAVG: 1172600 15.1764 -67.2758 29.3439 -67.2758 -3.30557 20.8397 29.3438 20.8397 0.956537 GPRESSAVG: 1172600 16.4274 -66.3913 27.8117 -68.1563 -3.9385 20.3067 30.2218 19.4267 0.87424 TIMING: 1172600 CPU: 3773.68, 0.00319482/step Wall: 3773.68, 0.00319482/step, 3.39662 hours remaining, 233.738281 MB of memory in use. ENERGY: 1172600 3918.9098 20393.8412 14505.3526 232.7811 -203290.7434 2286.9716 0.0000 0.0000 51730.5769 -110222.3103 297.2963 -161952.8872 -109858.4344 297.8499 -11.5645 13.0770 760240.2496 4.2758 4.4544 PRESSURE: 1172800 -19.4211 44.6195 118.98 44.6204 -117.816 -184.874 118.981 -184.874 11.6451 GPRESSURE: 1172800 81.2935 36.8517 105.932 15.9356 -78.3326 -161.309 -60.3022 -140.583 -31.8854 PRESSAVG: 1172800 25.8756 -56.6121 -21.7211 -56.6121 0.0390426 32.1859 -21.721 32.1857 8.09299 GPRESSAVG: 1172800 26.5709 -57.5409 -20.3441 -55.4248 -0.149363 32.1626 -22.3457 33.5705 7.24225 TIMING: 1172800 CPU: 3774.32, 0.00317829/step Wall: 3774.32, 0.00317829/step, 3.37888 hours remaining, 233.738281 MB of memory in use. ENERGY: 1172800 3949.8200 20283.6767 14441.4557 240.4069 -203593.3660 2411.2735 0.0000 0.0000 51881.9860 -110384.7473 298.1665 -162266.7332 -110020.8338 297.1564 -41.8639 -9.6415 758433.2061 11.3359 11.2212 PRESSURE: 1173000 -135.151 150.718 -25.1668 150.718 -47.2519 -156.188 -25.1664 -156.189 208.838 GPRESSURE: 1173000 -44.8937 163.696 36.6994 147.603 -35.7839 -138.066 -43.2202 -148.214 199.889 PRESSAVG: 1173000 0.261809 -55.3018 43.5119 -55.3017 -24.3045 -10.2274 43.5119 -10.2273 13.844 GPRESSAVG: 1173000 0.265295 -56.5667 43.5119 -55.5518 -24.886 -12.3306 42.7773 -10.3074 13.8154 TIMING: 1173000 CPU: 3774.96, 0.00319747/step Wall: 3774.96, 0.00319747/step, 3.39909 hours remaining, 233.941406 MB of memory in use. ENERGY: 1173000 4004.4841 20397.0574 14444.0985 244.5627 -203689.9988 2650.1906 0.0000 0.0000 51883.5366 -110066.0689 298.1754 -161949.6054 -109708.4004 297.8477 8.8118 39.7370 760913.3740 -3.3996 -3.6018 PRESSURE: 1173200 -32.7228 171.82 -42.563 171.819 232.307 -111.136 -42.5623 -111.136 480.678 GPRESSURE: 1173200 104.268 76.9579 69.3298 166.295 211.709 -188.278 65.402 17.6886 452.84 PRESSAVG: 1173200 36.0531 -64.7177 -28.9151 -64.7177 -30.9887 33.9561 -28.915 33.9561 -5.42687 GPRESSAVG: 1173200 36.5199 -62.6673 -29.7214 -65.2917 -30.0065 34.8283 -26.7736 32.9677 -7.13242 TIMING: 1173200 CPU: 3775.6, 0.0031846/step Wall: 3775.6, 0.0031846/step, 3.38523 hours remaining, 233.941406 MB of memory in use. ENERGY: 1173200 3962.6100 20576.2795 14428.1385 244.7068 -203176.8204 2391.5763 0.0000 0.0000 51854.7040 -109718.8053 298.0097 -161573.5093 -109362.3141 298.5304 226.7539 256.2724 759806.4292 -0.1208 -0.2064 PRESSURE: 1173400 135.8 -289.175 112.02 -289.175 -106.393 216.492 112.019 216.491 -74.8906 GPRESSURE: 1173400 59.9234 -247.215 -45.0884 -241.002 -68.9466 174.68 130.528 207.645 36.2195 PRESSAVG: 1173400 3.07928 -86.4797 -0.974648 -86.4797 -9.11374 19.2108 -0.974654 19.2108 6.27259 GPRESSAVG: 1173400 3.03772 -86.3027 -0.0230738 -86.1366 -9.58927 18.852 -1.27613 22.3804 6.33473 TIMING: 1173400 CPU: 3776.23, 0.00318588/step Wall: 3776.23, 0.00318588/step, 3.38641 hours remaining, 233.941406 MB of memory in use. ENERGY: 1173400 4044.4256 20640.7011 14460.0384 237.9232 -203286.4930 2469.1271 0.0000 0.0000 52243.2348 -109191.0426 300.2426 -161434.2775 -108828.7971 299.2775 -15.1613 9.0655 760659.0287 0.0794 -0.0723 PRESSURE: 1173600 93.2606 -134.81 -135.441 -134.81 -173.699 158.605 -135.44 158.604 -58.3165 GPRESSURE: 1173600 113.7 -208.892 -143.879 -44.6013 -71.7993 122.578 -236.798 185.866 -108.718 PRESSAVG: 1173600 19.0157 -51.169 -0.0323184 -51.169 -47.6441 16.3521 -0.0322832 16.3521 12.1112 GPRESSAVG: 1173600 18.8002 -53.166 0.638842 -51.4321 -47.2286 15.7257 -0.737333 13.668 11.9516 TIMING: 1173600 CPU: 3776.87, 0.00317702/step Wall: 3776.87, 0.00317702/step, 3.37682 hours remaining, 233.941406 MB of memory in use. ENERGY: 1173600 4049.2523 20388.3413 14586.4571 243.1385 -203401.4947 2511.1497 0.0000 0.0000 52303.3217 -109319.8341 300.5879 -161623.1558 -108962.9283 299.7169 -46.2516 -22.2725 759254.6308 -5.5057 -5.4922 PRESSURE: 1173800 -123.907 53.9163 0.165831 53.9165 5.42901 81.4507 0.16688 81.4509 -203.975 GPRESSURE: 1173800 -2.30385 115.866 -77.4738 -4.27125 18.0286 147.331 27.3536 41.6326 -247.053 PRESSAVG: 1173800 7.35034 -42.7803 32.1113 -42.7803 -38.9444 -16.5867 32.1113 -16.5867 1.35241 GPRESSAVG: 1173800 7.22605 -43.9066 32.3537 -42.0973 -39.3042 -15.719 30.1483 -15.6838 2.50979 TIMING: 1173800 CPU: 3777.51, 0.00320723/step Wall: 3777.51, 0.00320723/step, 3.40875 hours remaining, 233.941406 MB of memory in use. ENERGY: 1173800 4085.4644 20430.8264 14578.7458 234.1784 -202927.2062 2327.3506 0.0000 0.0000 51899.3504 -109371.2901 298.2663 -161270.6405 -109009.1184 298.9844 -107.4842 -77.1093 759653.1747 -10.0806 -9.8561 PRESSURE: 1174000 -73.7246 -37.7109 -150.346 -37.7098 49.7604 13.2361 -150.346 13.2363 161.897 GPRESSURE: 1174000 -67.344 -124.61 -189.524 -65.9191 107.866 -61.9988 -185.622 33.5616 169.718 PRESSAVG: 1174000 20.2618 -77.665 36.1728 -77.665 -9.35181 8.67823 36.1729 8.67821 -4.97795 GPRESSAVG: 1174000 19.2422 -74.7515 35.4521 -77.7809 -9.0235 8.1711 37.5072 8.13961 -4.09833 TIMING: 1174000 CPU: 3778.15, 0.00319441/step Wall: 3778.15, 0.00319441/step, 3.39494 hours remaining, 233.941406 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: 1174000 4089.2679 20492.2101 14491.0583 230.5677 -203371.0205 2562.5723 0.0000 0.0000 51965.1629 -109540.1813 298.6445 -161505.3441 -109184.1106 299.2438 45.9776 70.0801 760881.5441 1.9774 2.0401 PRESSURE: 1174200 -79.0213 34.5294 -60.9345 34.5296 11.11 168.561 -60.9348 168.561 -368.96 GPRESSURE: 1174200 -109.3 78.9113 -176.922 29.6629 108.709 159.008 53.6621 194.085 -348.369 PRESSAVG: 1174200 -3.42405 -22.2063 48.759 -22.2063 15.5982 33.0624 48.759 33.0624 0.309866 GPRESSAVG: 1174200 -2.50376 -23.604 49.9975 -22.5625 15.6789 33.4287 48.1237 34.2483 -0.673324 TIMING: 1174200 CPU: 3778.79, 0.00320778/step Wall: 3778.79, 0.00320778/step, 3.40898 hours remaining, 233.941406 MB of memory in use. ENERGY: 1174200 4010.4267 20523.6399 14451.7819 248.0982 -202911.6871 2044.9885 0.0000 0.0000 52182.6347 -109450.1171 299.8943 -161632.7518 -109092.9632 299.2889 -145.6239 -116.3201 761865.9128 4.1613 4.1673 PRESSURE: 1174400 51.2979 -30.5446 -295.3 -30.5443 -92.7909 147.528 -295.299 147.528 -49.4138 GPRESSURE: 1174400 87.2119 -172.952 -219.995 60.7588 -11.4251 13.3946 -199.656 192.422 -97.5228 PRESSAVG: 1174400 -65.5893 11.2271 39.3256 11.227 22.2414 -0.393556 39.3256 -0.393482 7.15813 GPRESSAVG: 1174400 -66.429 9.36861 38.5912 12.0826 22.3808 -1.17929 39.6347 -0.763719 7.9129 TIMING: 1174400 CPU: 3779.43, 0.00319487/step Wall: 3779.43, 0.00319487/step, 3.39509 hours remaining, 233.941406 MB of memory in use. ENERGY: 1174400 4000.2159 20436.2072 14458.5540 248.0209 -203469.9719 2724.4096 0.0000 0.0000 52243.5949 -109358.9694 300.2447 -161602.5644 -108991.0678 299.5239 -30.3023 -7.2453 760942.0138 -12.0633 -12.0451 PRESSURE: 1174600 -90.4825 -56.0128 209.759 -56.0125 -239.565 64.2458 209.758 64.246 -47.0424 GPRESSURE: 1174600 -0.632565 14.1418 164.884 -37.5368 -190.812 39.983 145.843 -2.31194 -106.738 PRESSAVG: 1174600 -11.8537 -23.5663 39.4612 -23.5663 -15.4494 5.12276 39.4612 5.12282 -21.5683 GPRESSAVG: 1174600 -11.6866 -22.4353 39.4298 -24.2412 -16.574 5.67237 40.3424 5.03583 -20.9334 TIMING: 1174600 CPU: 3780.07, 0.00318658/step Wall: 3780.07, 0.00318658/step, 3.3861 hours remaining, 233.941406 MB of memory in use. ENERGY: 1174600 4022.0580 20506.3532 14482.1343 237.4827 -203103.8297 2488.0881 0.0000 0.0000 52081.1201 -109286.5934 299.3109 -161367.7135 -108920.8234 299.8948 -125.6965 -99.3942 762246.0622 -16.2904 -16.3980 PRESSURE: 1174800 -56.1146 13.9302 17.376 13.9301 277.203 -127.355 17.3762 -127.356 418.294 GPRESSURE: 1174800 -35.7846 -7.70152 72.3354 50.7256 385.337 -88.239 -68.6954 -126.754 383.306 PRESSAVG: 1174800 -36.9402 -31.9855 21.628 -31.9855 24.399 16.4223 21.628 16.4223 -1.0563 GPRESSAVG: 1174800 -36.8188 -32.2245 21.3738 -30.4257 25.0446 16.0017 19.9801 17.3074 -1.56266 TIMING: 1174800 CPU: 3780.7, 0.00317509/step Wall: 3780.7, 0.00317509/step, 3.37371 hours remaining, 233.941406 MB of memory in use. ENERGY: 1174800 3954.3790 20638.7549 14418.7129 262.6202 -203249.6126 2685.0322 0.0000 0.0000 52138.6470 -109151.4665 299.6415 -161290.1135 -108780.2873 299.5537 213.1276 244.2861 761512.7902 -4.5325 -4.4456 PRESSURE: 1175000 12.4369 -76.337 261.305 -76.3366 84.1692 95.8035 261.306 95.8031 53.514 GPRESSURE: 1175000 44.0275 -54.4886 304.779 -173.084 225.467 30.0259 229.332 164.352 -25.7814 PRESSAVG: 1175000 -35.3988 -2.27988 29.9122 -2.27983 -8.51624 -66.155 29.9123 -66.155 2.35194 GPRESSAVG: 1175000 -35.9399 -1.97273 30.4383 -2.91562 -7.4073 -64.6855 31.0168 -65.6007 2.03358 TIMING: 1175000 CPU: 3781.34, 0.00317381/step Wall: 3781.34, 0.00317381/step, 3.37217 hours remaining, 233.941406 MB of memory in use. ENERGY: 1175000 4010.0182 20414.4932 14485.4133 263.7787 -202950.7052 2477.9825 0.0000 0.0000 52080.1010 -109218.9183 299.3051 -161299.0193 -108855.0444 299.5493 50.0400 81.2376 761080.1606 -13.8544 -13.7712 PRESSURE: 1175200 125.948 -136.142 -260.511 -136.142 80.8255 -108.372 -260.512 -108.373 22.5892 GPRESSURE: 1175200 139.016 -121.208 -252.696 -152.069 146.767 -86.9175 -242.143 42.2485 34.0831 PRESSAVG: 1175200 -12.069 -68.0326 45.6693 -68.0326 -14.0679 -74.3683 45.6693 -74.3683 25.4671 GPRESSAVG: 1175200 -11.1122 -67.7605 45.3684 -69.3907 -15.5325 -76.4962 45.7736 -72.0962 25.845 TIMING: 1175200 CPU: 3781.98, 0.00319167/step Wall: 3781.98, 0.00319167/step, 3.39097 hours remaining, 233.941406 MB of memory in use. ENERGY: 1175200 3949.9505 20479.9246 14451.0364 262.2618 -202732.2734 2110.2318 0.0000 0.0000 52231.4202 -109247.4482 300.1747 -161478.8684 -108877.9363 299.3892 76.4542 106.6221 759687.7418 -0.2233 -0.2666 PRESSURE: 1175400 -285.341 -143.339 92.5976 -143.34 40.1409 186.894 92.5985 186.893 -466.043 GPRESSURE: 1175400 -228.499 -105.744 163.071 -143.099 48.9718 151.127 106.903 105.711 -432.375 PRESSAVG: 1175400 30.5776 -48.5631 3.73368 -48.5632 -70.6206 -32.0965 3.73365 -32.0965 -18.0361 GPRESSAVG: 1175400 30.2313 -46.8589 3.68663 -49.3701 -70.3705 -30.9622 3.53539 -35.1988 -17.5715 TIMING: 1175400 CPU: 3782.62, 0.00320072/step Wall: 3782.62, 0.00320072/step, 3.40041 hours remaining, 233.941406 MB of memory in use. ENERGY: 1175400 4011.3866 20386.4598 14461.4092 242.3518 -202546.0493 2176.1904 0.0000 0.0000 51933.8522 -109334.3993 298.4646 -161268.2515 -108980.3477 299.3324 -237.0812 -203.9675 761292.6499 -19.3597 -19.2369 PRESSURE: 1175600 -93.9248 -193.04 -41.888 -193.04 -253.818 -162.268 -41.8871 -162.267 96.1597 GPRESSURE: 1175600 -32.6461 -147.707 17.4274 -146.91 -208.609 -104.854 -182.603 -256.665 71.476 PRESSAVG: 1175600 -30.9199 -25.8335 -15.9447 -25.8336 17.2999 -51.5656 -15.9447 -51.5656 8.39777 GPRESSAVG: 1175600 -30.0377 -26.2527 -16.2762 -23.3214 17.1219 -51.0059 -14.8969 -51.0985 7.83359 TIMING: 1175600 CPU: 3783.26, 0.00320232/step Wall: 3783.26, 0.00320232/step, 3.40193 hours remaining, 233.941406 MB of memory in use. ENERGY: 1175600 3957.7397 20365.2226 14470.9002 230.7305 -202483.4183 2089.7709 0.0000 0.0000 52080.0464 -109289.0080 299.3047 -161369.0544 -108927.8295 298.8560 -83.8611 -56.5931 762209.5208 -1.7407 -1.6941 PRESSURE: 1175800 -516.229 -130.735 -167.828 -130.735 -64.8152 -101.898 -167.829 -101.898 124.559 GPRESSURE: 1175800 -359.312 -88.0372 -40.2047 -138.114 -138.997 -43.343 -258.047 -62.3909 106.545 PRESSAVG: 1175800 -41.2634 -34.0452 -1.9235 -34.0452 29.9605 -83.3353 -1.9235 -83.3354 7.25521 GPRESSAVG: 1175800 -41.5865 -34.3486 -1.08902 -36.2019 29.8976 -83.479 -5.97157 -81.4018 8.23067 TIMING: 1175800 CPU: 3783.89, 0.00317579/step Wall: 3783.89, 0.00317579/step, 3.37357 hours remaining, 233.941406 MB of memory in use. ENERGY: 1175800 4002.1972 20521.1468 14458.3676 260.6989 -203169.0320 2372.1836 0.0000 0.0000 52138.3721 -109416.0658 299.6399 -161554.4379 -109052.4693 299.1365 -152.1618 -130.5880 760763.6838 -1.3493 -1.1528 PRESSURE: 1176000 44.6785 -109.129 345.365 -109.129 -344.584 -261.345 345.366 -261.346 186.443 GPRESSURE: 1176000 -32.1375 -135.99 269.025 -232.855 -171.668 -301.985 293.765 -371.916 174.257 PRESSAVG: 1176000 13.6502 -67.8433 -17.5289 -67.8433 -20.5582 -39.1448 -17.5289 -39.1448 -15.8553 GPRESSAVG: 1176000 13.1082 -67.3033 -17.7107 -67.5239 -19.1259 -38.8532 -15.5147 -42.1144 -16.7889 TIMING: 1176000 CPU: 3784.54, 0.00322718/step Wall: 3784.54, 0.00322718/step, 3.42799 hours remaining, 233.941406 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: 1176000 3933.8621 20456.5019 14471.7953 248.3368 -203139.3447 2458.8295 0.0000 0.0000 52088.3125 -109481.7067 299.3522 -161570.0192 -109122.0233 299.5200 -37.8210 -9.8495 760681.5305 -7.5877 -7.6022 PRESSURE: 1176200 -73.6781 -54.5193 452.363 -54.5187 283.201 282.646 452.363 282.646 475.091 GPRESSURE: 1176200 18.9664 -42.5497 350.016 -162.537 391.542 171.273 339.884 265.804 362.363 PRESSAVG: 1176200 -36.7499 1.51187 -2.50772 1.51189 28.8057 -17.2288 -2.50773 -17.2287 -1.66831 GPRESSAVG: 1176200 -35.4928 1.27071 -2.34549 1.14042 28.3811 -17.5423 -3.59108 -17.0261 -2.06856 TIMING: 1176200 CPU: 3785.18, 0.00323606/step Wall: 3785.18, 0.00323606/step, 3.43724 hours remaining, 233.941406 MB of memory in use. ENERGY: 1176200 3927.1286 20693.3853 14403.8111 221.1077 -203232.4191 2450.7207 0.0000 0.0000 51882.9010 -109653.3647 298.1717 -161536.2656 -109302.5499 299.3567 228.2046 257.6238 760199.1610 -3.2042 -3.0601 LDB: ============= START OF LOAD BALANCING ============== 3797.61 LDB: ============== END OF LOAD BALANCING =============== 3797.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3797.61 LDB: ============= START OF LOAD BALANCING ============== 3797.94 LDB: Largest compute 7031 load 0.034700 is 17.8% of average load 0.195237 LDB: Average compute 0.004379 is 2.2% of average load 0.195237 LDB: TIME 3797.94 LOAD: AVG 0.195237 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.082 MB LDB: TIME 3797.94 LOAD: AVG 0.195237 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.086 MB LDB: TIME 3797.94 LOAD: AVG 0.195237 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.086 MB LDB: ============== END OF LOAD BALANCING =============== 3797.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3797.95 PRESSURE: 1176400 80.7993 -191.516 -96.2812 -191.517 48.5653 133.571 -96.2805 133.57 -245.984 GPRESSURE: 1176400 112.942 -213.041 -83.6699 -86.0891 1.00464 145.733 13.7923 30.8853 -154.457 PRESSAVG: 1176400 -49.7602 -66.454 75.5091 -66.4541 65.4672 13.2083 75.5091 13.2083 9.93135 GPRESSAVG: 1176400 -51.3031 -66.6406 74.7977 -63.9804 64.7672 13.4918 75.8051 13.5818 11.7596 TIMING: 1176400 CPU: 3785.84, 0.00328593/step Wall: 3785.84, 0.00328593/step, 3.49002 hours remaining, 232.035156 MB of memory in use. ENERGY: 1176400 4057.9043 20574.0982 14410.6956 258.1140 -203098.7061 2304.4569 0.0000 0.0000 51800.2444 -109693.1926 297.6967 -161493.4370 -109330.9004 299.0390 -38.8732 -13.5034 760702.7191 8.5461 8.4079 PRESSURE: 1176600 -238.534 -182.85 80.9479 -182.85 -126.959 -10.4177 80.9495 -10.4166 193.505 GPRESSURE: 1176600 -158.016 -150.01 51.3443 -246.078 -180.209 -28.204 23.3404 -35.1514 261.429 PRESSAVG: 1176600 -41.0292 -85.5134 45.5522 -85.5134 47.0748 8.7802 45.5523 8.78025 -5.58205 GPRESSAVG: 1176600 -40.1942 -84.0525 47.5703 -88.6687 45.9846 8.57791 46.2661 9.15511 -5.55462 TIMING: 1176600 CPU: 3786.48, 0.00317786/step Wall: 3786.48, 0.00317786/step, 3.37507 hours remaining, 232.292969 MB of memory in use. ENERGY: 1176600 3921.4200 20585.2869 14419.0248 231.8863 -203172.6477 2500.8155 0.0000 0.0000 51644.9131 -109869.3010 296.8040 -161514.2141 -109511.5701 298.9211 -57.3292 -25.5990 760036.3392 0.1545 0.0786 PRESSURE: 1176800 -246.945 -216.223 155.897 -216.222 429.959 -49.7131 155.897 -49.7134 -106.183 GPRESSURE: 1176800 -213.388 -113.128 209.238 -164.586 478.348 -31.3946 80.8243 45.6802 -112.076 PRESSAVG: 1176800 -27.1495 -81.3236 24.8846 -81.3236 35.4908 18.7045 24.8846 18.7045 1.46722 GPRESSAVG: 1176800 -26.3997 -81.9277 22.7128 -79.403 35.0891 20.2696 24.3948 20.2652 0.572319 TIMING: 1176800 CPU: 3787.11, 0.00317576/step Wall: 3787.11, 0.00317575/step, 3.37265 hours remaining, 232.292969 MB of memory in use. ENERGY: 1176800 3950.3102 20455.0467 14453.3624 257.9004 -203287.3640 2328.9182 0.0000 0.0000 52164.1265 -109677.6996 299.7880 -161841.8261 -109313.4105 298.5537 25.6104 50.9614 760179.5435 3.2695 3.0872 PRESSURE: 1177000 -7.92692 -120.481 -49.9545 -120.481 -137.705 91.6637 -49.9544 91.6647 557.889 GPRESSURE: 1177000 80.4277 42.1971 -60.042 -42.7514 -61.0414 157.88 27.4236 -27.0712 475.624 PRESSAVG: 1177000 -53.0964 -39.7109 -38.9417 -39.7108 6.96875 11.7658 -38.9417 11.7659 -41.6808 GPRESSAVG: 1177000 -53.4803 -38.4026 -39.1394 -39.5892 7.77151 9.598 -39.3711 9.2235 -41.6701 TIMING: 1177000 CPU: 3787.75, 0.00319024/step Wall: 3787.75, 0.00319024/step, 3.38786 hours remaining, 232.292969 MB of memory in use. ENERGY: 1177000 4027.8888 20524.1655 14522.2580 276.7099 -203708.6579 2585.2638 0.0000 0.0000 51880.4610 -109891.9109 298.1577 -161772.3719 -109533.5794 298.8632 137.4192 165.0034 758483.0083 -29.2695 -29.1263 PRESSURE: 1177200 80.3001 -173.427 -72.7027 -173.427 -267.451 115.433 -72.7024 115.433 54.2201 GPRESSURE: 1177200 -66.5696 -177.545 -36.4033 -210.051 -125.301 34.621 -96.2957 140.874 135.952 PRESSAVG: 1177200 -17.75 -37.9283 35.7953 -37.9283 -11.6409 -14.9812 35.7954 -14.9812 -13.2667 GPRESSAVG: 1177200 -19.2696 -38.7399 36.5205 -38.0673 -10.9657 -13.6671 35.3609 -14.3583 -12.6844 TIMING: 1177200 CPU: 3788.39, 0.00319067/step Wall: 3788.39, 0.00319067/step, 3.38814 hours remaining, 232.292969 MB of memory in use. ENERGY: 1177200 4017.8426 20646.1243 14444.7405 249.0792 -203606.7971 2575.9349 0.0000 0.0000 51953.4124 -109719.6633 298.5770 -161673.0756 -109354.8792 298.9872 -44.3103 -18.6396 760420.6945 -14.2192 -14.3066 PRESSURE: 1177400 361.125 82.2473 285.828 82.2474 90.9212 -32.6064 285.827 -32.6062 63.5317 GPRESSURE: 1177400 395.315 -24.9404 272.402 -78.8684 78.2654 -76.5717 284.263 -6.92064 108.707 PRESSAVG: 1177400 -6.8242 12.7186 24.4812 12.7186 38.3076 8.90908 24.4811 8.90898 8.38309 GPRESSAVG: 1177400 -6.27817 12.3014 22.9078 11.7086 38.2403 9.66982 26.0163 5.07499 7.97066 TIMING: 1177400 CPU: 3789.02, 0.00317391/step Wall: 3789.02, 0.00317391/step, 3.37017 hours remaining, 232.292969 MB of memory in use. ENERGY: 1177400 4005.6272 20560.6857 14495.6701 247.7371 -203648.9739 2840.6630 0.0000 0.0000 51886.1968 -109612.3939 298.1907 -161498.5906 -109252.3156 299.3333 171.8593 194.0958 759301.6350 13.2888 13.3109 PRESSURE: 1177600 -288.58 111.634 -29.3693 111.634 -218.203 311.278 -29.3688 311.278 -112.715 GPRESSURE: 1177600 -215.359 65.1644 -20.5805 -27.3658 -242.819 335.331 -59.1961 189.013 -76.4155 PRESSAVG: 1177600 -26.299 -10.0481 23.4032 -10.048 4.54221 -12.1018 23.4032 -12.1018 -4.87135 GPRESSAVG: 1177600 -26.2014 -10.3708 22.3601 -10.3726 4.56113 -12.9751 23.6016 -9.97289 -5.5169 TIMING: 1177600 CPU: 3789.67, 0.00321195/step Wall: 3789.67, 0.00321195/step, 3.41037 hours remaining, 232.292969 MB of memory in use. ENERGY: 1177600 3907.2075 20605.9128 14509.0905 258.3246 -203630.5592 2395.8115 0.0000 0.0000 52224.8780 -109729.3342 300.1371 -161954.2123 -109370.8190 298.4767 -206.4993 -178.1980 760679.7099 -8.8760 -9.0524 PRESSURE: 1177800 -195.457 165.767 13.1863 165.767 39.1359 229.623 13.1856 229.623 -205.098 GPRESSURE: 1177800 -144.864 298.69 12.1024 248.11 38.3518 161.956 -82.0637 170.762 -167.624 PRESSAVG: 1177800 -23.382 15.2039 -3.37453 15.2039 22.6046 28.9584 -3.37453 28.9584 -24.5153 GPRESSAVG: 1177800 -23.7549 15.3138 -1.54312 15.5751 21.9608 27.8279 -7.07758 29.0869 -24.0525 TIMING: 1177800 CPU: 3790.3, 0.00317583/step Wall: 3790.3, 0.00317582/step, 3.37184 hours remaining, 232.292969 MB of memory in use. ENERGY: 1177800 3986.0308 20352.1518 14517.5805 246.8407 -203172.3730 2111.4954 0.0000 0.0000 52060.2004 -109898.0733 299.1907 -161958.2737 -109538.5436 298.7161 -120.4731 -91.3790 759673.0915 -8.4309 -8.6155 PRESSURE: 1178000 -299.322 80.592 113.2 80.592 152.998 -113.578 113.2 -113.578 133.732 GPRESSURE: 1178000 -292.441 -14.8176 153.378 11.3898 183.441 -66.9169 216.87 79.8612 185.283 PRESSAVG: 1178000 -91.7221 -11.2355 -24.3111 -11.2355 37.6407 18.156 -24.3111 18.1559 -8.77963 GPRESSAVG: 1178000 -90.9076 -10.0681 -24.0492 -11.6116 37.4341 21.3853 -21.6981 19.9459 -9.19846 TIMING: 1178000 CPU: 3790.93, 0.00315515/step Wall: 3790.93, 0.00315515/step, 3.34972 hours remaining, 232.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 4097.4781 20527.2584 14469.7352 265.1239 -203797.8370 2748.5662 0.0000 0.0000 51951.3585 -109738.3167 298.5652 -161689.6752 -109383.8576 298.3636 -4.1973 25.4274 759202.9380 -20.9537 -20.8907 PRESSURE: 1178200 10.0882 -8.68464 -106.039 -8.68541 129.217 72.8332 -106.039 72.8318 20.1338 GPRESSURE: 1178200 103.024 31.5285 -95.4564 -65.0959 172.002 153.217 -133.285 111.32 -25.6967 PRESSAVG: 1178200 -63.0938 -41.8776 32.4213 -41.8777 52.4505 27.9139 32.4214 27.914 -9.79612 GPRESSAVG: 1178200 -63.1028 -42.816 31.9985 -41.2952 51.9693 25.8165 32.3962 28.4501 -9.48751 TIMING: 1178200 CPU: 3791.57, 0.00317691/step Wall: 3791.57, 0.00317691/step, 3.37265 hours remaining, 232.292969 MB of memory in use. ENERGY: 1178200 3998.7848 20527.7087 14401.0404 229.7548 -203199.5523 2434.9249 0.0000 0.0000 51856.0592 -109751.2795 298.0175 -161607.3387 -109394.5966 298.6242 53.1462 83.1097 760067.6306 -6.8131 -6.8737 PRESSURE: 1178400 22.5723 9.40333 -9.96159 9.40217 -84.7094 -16.9153 -9.96162 -16.9143 329.191 GPRESSURE: 1178400 49.0477 -63.7385 -19.5488 2.63024 -12.7636 35.0134 31.7113 -28.121 332.986 PRESSAVG: 1178400 -35.352 -58.6194 14.4949 -58.6194 5.12602 6.65054 14.4948 6.65058 10.0105 GPRESSAVG: 1178400 -35.3258 -57.7306 16.5353 -58.4517 6.83143 7.34613 14.5967 6.16239 8.13769 TIMING: 1178400 CPU: 3792.2, 0.00315292/step Wall: 3792.2, 0.00315292/step, 3.347 hours remaining, 232.292969 MB of memory in use. ENERGY: 1178400 3956.7065 20443.0810 14432.7298 238.5864 -203321.6481 2299.2619 0.0000 0.0000 52045.3264 -109905.9559 299.1052 -161951.2824 -109557.1776 298.4972 89.0179 123.0900 759116.6415 -6.7385 -6.7856 PRESSURE: 1178600 -85.7749 -72.0503 305.237 -72.0509 -146.873 26.0523 305.237 26.052 -39.4394 GPRESSURE: 1178600 -30.3196 -71.6116 267.79 -120.618 -112.976 41.2683 220.651 118.846 -58.221 PRESSAVG: 1178600 -42.6221 -58.2416 67.2079 -58.2416 9.18786 -49.9921 67.2079 -49.9921 5.63024 GPRESSAVG: 1178600 -43.7678 -57.5592 65.1237 -59.7336 8.5526 -52.0894 67.0098 -51.7057 7.50905 TIMING: 1178600 CPU: 3792.83, 0.00318301/step Wall: 3792.83, 0.00318301/step, 3.37877 hours remaining, 232.292969 MB of memory in use. ENERGY: 1178600 3986.8608 20398.2710 14430.2722 248.1372 -203548.5467 2509.1006 0.0000 0.0000 52124.3428 -109851.5620 299.5593 -161975.9049 -109494.9467 298.7074 -90.6959 -67.1723 759998.2071 -9.2680 -9.2354 PRESSURE: 1178800 34.9267 -40.5469 -252.665 -40.5476 -4.6628 -220.608 -252.664 -220.608 45.9504 GPRESSURE: 1178800 -13.2265 -4.01925 -229.564 -96.9292 102.933 -197.52 -139.243 -191.98 52.9503 PRESSAVG: 1178800 -60.3183 -0.0250235 40.0917 -0.0250692 14.1826 0.0679986 40.0917 0.0679368 12.9541 GPRESSAVG: 1178800 -58.5535 -1.7232 41.0393 1.93824 13.7466 1.37572 39.4633 1.17526 12.2352 TIMING: 1178800 CPU: 3793.47, 0.00317688/step Wall: 3793.47, 0.00317688/step, 3.37208 hours remaining, 232.292969 MB of memory in use. ENERGY: 1178800 3951.2313 20511.6126 14565.4986 236.5908 -203571.9468 2513.0045 0.0000 0.0000 51733.8421 -110060.1669 297.3151 -161794.0090 -109693.1989 298.4633 25.4047 47.5523 757643.2433 -11.0605 -10.8572 PRESSURE: 1179000 -87.8011 -37.0815 142.227 -37.0834 95.4069 -67.6255 142.227 -67.6256 353.009 GPRESSURE: 1179000 -84.1586 -36.4942 76.5274 -71.9154 133.568 -24.4566 203.066 -31.4698 381.149 PRESSAVG: 1179000 -72.8182 -24.8088 -30.6799 -24.8088 48.4118 -12.2438 -30.6799 -12.2438 6.33909 GPRESSAVG: 1179000 -71.7483 -23.4761 -30.1509 -26.2157 47.334 -11.5727 -31.7628 -12.7076 6.34655 TIMING: 1179000 CPU: 3794.11, 0.00320624/step Wall: 3794.11, 0.00320624/step, 3.40307 hours remaining, 232.292969 MB of memory in use. ENERGY: 1179000 3977.4600 20404.3155 14535.4134 231.1732 -204106.3695 2743.1231 0.0000 0.0000 52227.9862 -109986.8982 300.1550 -162214.8844 -109619.5512 298.0079 120.2048 143.5197 759457.7247 -6.0224 -6.0226 PRESSURE: 1179200 116.062 -140.687 91.6885 -140.688 146.977 -178.018 91.6876 -178.017 -164.341 GPRESSURE: 1179200 171.371 -154.268 90.1594 -86.015 226.444 -127.856 9.64513 -155.139 -205.607 PRESSAVG: 1179200 -43.3059 -1.47099 58.5028 -1.471 30.1419 42.9396 58.5028 42.9396 1.73276 GPRESSAVG: 1179200 -44.599 -2.8744 56.1149 -0.128892 31.0519 42.5258 60.112 42.4869 2.3916 TIMING: 1179200 CPU: 3794.74, 0.00316015/step Wall: 3794.74, 0.00316015/step, 3.35397 hours remaining, 232.292969 MB of memory in use. ENERGY: 1179200 4061.8261 20322.7786 14526.8599 237.6481 -203603.9310 2512.7311 0.0000 0.0000 51893.0027 -110049.0845 298.2298 -161942.0872 -109695.8343 298.2201 32.8996 64.0693 759095.1609 -3.8104 -3.7185 PRESSURE: 1179400 -100.537 -29.5252 -78.335 -29.5256 -31.9071 96.0257 -78.3357 96.0255 334.877 GPRESSURE: 1179400 -107.524 -55.3387 -100.95 -104.362 -30.3141 172.718 -113.805 -82.5822 413.25 PRESSAVG: 1179400 -7.94868 -11.6997 32.3874 -11.6997 11.0723 22.2339 32.3874 22.2339 4.12799 GPRESSAVG: 1179400 -7.96619 -8.23205 33.112 -11.8533 11.5258 21.3313 30.4179 22.0809 3.44928 TIMING: 1179400 CPU: 3795.38, 0.00318558/step Wall: 3795.38, 0.00318558/step, 3.38078 hours remaining, 232.292969 MB of memory in use. ENERGY: 1179400 3937.8142 20625.9996 14481.5778 261.6396 -203477.5748 2472.4255 0.0000 0.0000 51810.0177 -109888.1004 297.7529 -161698.1181 -109525.7715 298.0965 67.4776 91.8041 759138.3720 2.4172 2.3363 PRESSURE: 1179600 -48.6603 -97.1964 -80.3817 -97.196 95.7098 57.7517 -80.3823 57.7516 23.8831 GPRESSURE: 1179600 14.0875 -111.632 17.3684 -120.104 136.211 17.2677 42.257 143.023 0.95778 PRESSAVG: 1179600 8.93973 -1.62917 -24.9228 -1.62918 43.6817 34.8513 -24.9228 34.8513 6.36955 GPRESSAVG: 1179600 8.67658 -4.18225 -22.7965 -3.51065 45.1988 34.724 -23.0837 36.969 4.99956 TIMING: 1179600 CPU: 3796.01, 0.00317255/step Wall: 3796.01, 0.00317255/step, 3.36678 hours remaining, 232.292969 MB of memory in use. ENERGY: 1179600 4015.4405 20363.4528 14482.4646 231.1728 -203440.2229 2303.8398 0.0000 0.0000 52169.8685 -109873.9839 299.8210 -162043.8524 -109505.6402 298.6076 23.6442 50.4188 758578.4298 19.6637 19.6250 PRESSURE: 1179800 -135.216 -189.658 -417.223 -189.657 -273.299 -33.9432 -417.224 -33.9423 -370.64 GPRESSURE: 1179800 -30.4557 -275.315 -540.315 47.3684 -265.801 -1.87906 -357.963 41.0209 -424.172 PRESSAVG: 1179800 -57.7535 4.41581 -38.6067 4.41578 62.942 8.86837 -38.6066 8.86834 11.0812 GPRESSAVG: 1179800 -55.6678 4.60083 -39.3691 7.42231 60.3756 10.029 -39.4294 6.38022 11.041 TIMING: 1179800 CPU: 3796.65, 0.00319184/step Wall: 3796.65, 0.00319184/step, 3.38707 hours remaining, 232.292969 MB of memory in use. ENERGY: 1179800 4054.1826 20429.1984 14458.7855 237.8558 -203128.7408 2050.1095 0.0000 0.0000 51857.6074 -110041.0016 298.0264 -161898.6090 -109674.7835 298.0085 -259.7182 -240.1430 760438.2585 5.4233 5.2496 PRESSURE: 1180000 65.881 -256.648 -0.0416577 -256.65 -23.0396 -71.5522 -0.0415304 -71.5526 181.694 GPRESSURE: 1180000 57.3229 -179.355 -21.6887 -225.263 66.7204 -122.492 128.926 -127.42 176.503 PRESSAVG: 1180000 -59.5319 -16.68 -13.5049 -16.6799 35.0388 6.70169 -13.5049 6.70178 -6.80228 GPRESSAVG: 1180000 -61.1989 -16.9823 -14.5241 -19.0795 36.0206 6.63917 -12.7179 7.63278 -5.85623 TIMING: 1180000 CPU: 3797.29, 0.00320456/step Wall: 3797.29, 0.00320456/step, 3.4004 hours remaining, 232.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 3990.0673 20632.0432 14523.3121 265.8510 -203776.9186 2509.2775 0.0000 0.0000 51875.2563 -109981.1111 298.1278 -161856.3674 -109619.8459 298.4437 74.8452 100.1822 760260.1214 -10.4318 -10.3449 PRESSURE: 1180200 -162.694 -137.29 -73.7317 -137.288 99.6079 -128.298 -73.7306 -128.298 -151.925 GPRESSURE: 1180200 -150.532 -120.346 -49.6197 -5.41538 84.3517 -37.5886 -2.48033 -78.7369 -57.5567 PRESSAVG: 1180200 -67.2413 -40.4292 39.7551 -40.4292 79.8102 3.42951 39.7552 3.42954 7.18484 GPRESSAVG: 1180200 -67.1334 -38.4687 41.982 -39.9844 79.1161 3.68692 38.9971 3.22687 8.04934 TIMING: 1180200 CPU: 3797.93, 0.00319092/step Wall: 3797.93, 0.00319093/step, 3.38575 hours remaining, 232.292969 MB of memory in use. ENERGY: 1180200 4021.2137 20472.2360 14444.6853 248.9184 -203587.6219 2552.2489 0.0000 0.0000 52016.5543 -109831.7652 298.9399 -161848.3195 -109468.8779 298.5223 -71.6703 -41.2457 759217.4928 6.5846 6.6773 LDB: ============= START OF LOAD BALANCING ============== 3810.36 LDB: ============== END OF LOAD BALANCING =============== 3810.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3810.36 LDB: ============= START OF LOAD BALANCING ============== 3810.67 LDB: Largest compute 7034 load 0.035167 is 18.0% of average load 0.195189 LDB: Average compute 0.004379 is 2.2% of average load 0.195189 LDB: TIME 3810.68 LOAD: AVG 0.195189 MAX 0.216963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.434 MB LDB: TIME 3810.68 LOAD: AVG 0.195189 MAX 0.216963 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.434 MB LDB: TIME 3810.68 LOAD: AVG 0.195189 MAX 0.216963 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.434 MB LDB: ============== END OF LOAD BALANCING =============== 3810.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3810.69 PRESSURE: 1180400 -461.228 -66.7731 86.7148 -66.7731 104.391 -11.9443 86.7138 -11.943 -156.282 GPRESSURE: 1180400 -350.673 -114.115 -22.2955 -9.46879 45.0002 4.90379 122.617 -91.3728 -102.454 PRESSAVG: 1180400 -82.8271 -11.3251 -20.8023 -11.3251 115.541 -5.58279 -20.8024 -5.58289 -12.6287 GPRESSAVG: 1180400 -82.8439 -13.819 -22.2149 -10.6891 115.539 -6.23157 -21.3158 -5.3644 -12.6368 TIMING: 1180400 CPU: 3798.58, 0.00324199/step Wall: 3798.58, 0.00324199/step, 3.43975 hours remaining, 230.824219 MB of memory in use. ENERGY: 1180400 3984.0431 20606.3466 14566.3149 256.4148 -203157.9110 2076.9339 0.0000 0.0000 51792.6333 -109875.2245 297.6530 -161667.8578 -109506.1997 298.5880 -171.0397 -136.0423 760990.6673 6.6952 6.6860 PRESSURE: 1180600 123.926 -53.3441 63.2443 -53.3447 -69.776 78.6579 63.2442 78.6571 -428.779 GPRESSURE: 1180600 85.0556 -85.2421 62.0711 -85.5465 44.1793 82.9385 95.9697 90.6047 -427.604 PRESSAVG: 1180600 -54.5774 10.3947 -15.0718 10.3947 40.3004 -7.10524 -15.0718 -7.10524 -2.45111 GPRESSAVG: 1180600 -53.7368 11.7451 -15.3961 10.657 40.8957 -6.26236 -14.9963 -8.75951 -3.78281 TIMING: 1180600 CPU: 3799.22, 0.00321361/step Wall: 3799.22, 0.00321361/step, 3.40946 hours remaining, 230.824219 MB of memory in use. ENERGY: 1180600 3947.6069 20491.4766 14504.9100 246.6506 -203253.5851 2259.6599 0.0000 0.0000 52022.4388 -109780.8423 298.9737 -161803.2811 -109423.4682 298.6709 -124.8763 -99.4565 760172.9337 -5.5760 -5.5413 PRESSURE: 1180800 -143.125 -18.4964 131.675 -18.4966 -272.409 155.539 131.675 155.538 -300.807 GPRESSURE: 1180800 -112.861 -52.991 149.967 18.8188 -223.25 184.342 -92.8161 58.566 -274.294 PRESSAVG: 1180800 13.1969 3.0985 17.9324 3.09848 29.4246 44.7006 17.9324 44.7007 7.28064 GPRESSAVG: 1180800 13.3584 1.19707 17.5652 4.25109 29.6771 45.1607 18.1848 46.218 6.67514 TIMING: 1180800 CPU: 3799.87, 0.00324366/step Wall: 3799.87, 0.00324366/step, 3.44116 hours remaining, 230.824219 MB of memory in use. ENERGY: 1180800 4062.3601 20386.1089 14517.2299 249.4630 -203631.1462 2481.7963 0.0000 0.0000 52178.5073 -109755.6806 299.8706 -161934.1880 -109389.0722 298.7622 -238.7804 -203.4681 758707.3044 16.6340 16.5702 PRESSURE: 1181000 316.655 48.7874 -73.2059 48.788 131.24 136.732 -73.2052 136.732 -41.8814 GPRESSURE: 1181000 355.865 100.95 -99.8588 33.3929 108.648 142.825 -72.427 119.232 20.6039 PRESSAVG: 1181000 -38.1517 -8.83654 28.3013 -8.83658 25.3942 -6.01116 28.3014 -6.01121 19.6133 GPRESSAVG: 1181000 -38.3489 -8.19214 28.8396 -9.0353 25.4081 -7.02462 29.3939 -5.352 19.762 TIMING: 1181000 CPU: 3800.51, 0.00319285/step Wall: 3800.51, 0.00319285/step, 3.38708 hours remaining, 230.824219 MB of memory in use. ENERGY: 1181000 4040.1769 20575.9744 14569.8947 235.0034 -203643.3425 2542.5979 0.0000 0.0000 51830.7525 -109848.9427 297.8720 -161679.6952 -109489.5213 298.4812 135.3380 161.7056 759085.3202 2.2853 2.2737 PRESSURE: 1181200 -292.038 90.1657 -58.8944 90.165 95.8555 -66.3064 -58.8943 -66.3057 -340.608 GPRESSURE: 1181200 -320.491 80.174 5.3896 25.9405 117.95 -66.2661 -164.957 -93.1196 -256.65 PRESSAVG: 1181200 -25.9377 -12.8601 -38.4871 -12.8602 13.5788 -22.6105 -38.4871 -22.6105 -16.4165 GPRESSAVG: 1181200 -26.7369 -13.8825 -40.7218 -14.0184 13.8998 -22.1931 -38.7442 -22.7672 -16.1879 TIMING: 1181200 CPU: 3801.14, 0.00314853/step Wall: 3801.14, 0.00314853/step, 3.33989 hours remaining, 230.824219 MB of memory in use. ENERGY: 1181200 3937.0665 20641.4150 14526.1728 241.9082 -203406.2278 2313.3495 0.0000 0.0000 52006.2953 -109740.0207 298.8809 -161746.3160 -109372.0977 298.8725 -178.9299 -153.0633 759077.9093 -9.5918 -9.6750 PRESSURE: 1181400 -386.98 -226.705 184.822 -226.705 -298.415 22.3056 184.821 22.3054 -20.5198 GPRESSURE: 1181400 -334.788 -66.0287 113.046 -247.995 -342.709 59.5136 206.331 -13.5973 69.9253 PRESSAVG: 1181400 10.934 21.7852 -21.4979 21.7852 9.07975 -10.6703 -21.4978 -10.6703 16.9753 GPRESSAVG: 1181400 11.2237 25.7797 -20.4155 23.1274 7.76369 -11.5052 -21.5182 -11.677 18.053 TIMING: 1181400 CPU: 3801.77, 0.00316078/step Wall: 3801.77, 0.00316078/step, 3.35271 hours remaining, 230.824219 MB of memory in use. ENERGY: 1181400 3984.3872 20392.7899 14504.6491 238.6780 -203309.3408 2343.3746 0.0000 0.0000 52102.5861 -109742.8759 299.4343 -161845.4620 -109370.3449 299.1917 -235.3048 -202.5236 759807.3667 12.3297 12.3468 PRESSURE: 1181600 45.2391 -32.5669 228.663 -32.5669 319.459 9.58423 228.663 9.58358 9.73923 GPRESSURE: 1181600 216.003 68.0834 214.305 -22.0191 279.812 -111.257 175.707 -42.9517 -22.5864 PRESSAVG: 1181600 -13.136 -51.23 -32.3524 -51.23 -13.0466 -17.9105 -32.3524 -17.9104 9.55566 GPRESSAVG: 1181600 -12.5668 -52.7855 -29.2933 -51.3301 -12.2521 -17.1654 -33.39 -17.1689 8.92016 TIMING: 1181600 CPU: 3802.4, 0.00315237/step Wall: 3802.4, 0.00315237/step, 3.34361 hours remaining, 230.824219 MB of memory in use. ENERGY: 1181600 3978.4589 20532.9076 14524.2971 240.3764 -204104.5392 2829.9597 0.0000 0.0000 52158.5413 -109839.9981 299.7559 -161998.5394 -109478.4374 299.0719 124.8124 157.7430 759394.0579 -5.5423 -5.2996 PRESSURE: 1181800 -166.526 138.02 25.0011 138.02 -83.5375 -44.8955 25.0011 -44.8939 -240.365 GPRESSURE: 1181800 -149.077 67.5992 56.3832 133.443 -35.6572 -98.5307 56.6892 -53.682 -221.898 PRESSAVG: 1181800 -73.9978 -46.3922 8.44927 -46.3922 112.552 12.0116 8.4493 12.0117 -7.51503 GPRESSAVG: 1181800 -72.9471 -45.6477 6.47774 -46.4172 111.643 13.4561 10.3103 13.7616 -7.15574 TIMING: 1181800 CPU: 3803.04, 0.00316725/step Wall: 3803.04, 0.00316725/step, 3.35923 hours remaining, 230.824219 MB of memory in use. ENERGY: 1181800 4018.9046 20502.9511 14488.9400 263.0625 -203689.2846 2408.4473 0.0000 0.0000 52032.7018 -109974.2773 299.0327 -162006.9791 -109603.9730 298.8198 -163.4760 -135.5441 759115.8734 10.3462 10.5133 PRESSURE: 1182000 -203.412 -96.3833 -268.682 -96.3838 150.238 124.78 -268.682 124.779 18.8785 GPRESSURE: 1182000 -126.403 -89.9346 -228.843 -6.33856 208.882 37.2538 -262.567 61.1399 -43.25 PRESSAVG: 1182000 22.9223 -21.9103 -45.2696 -21.9103 18.7186 -20.7152 -45.2695 -20.7152 8.02963 GPRESSAVG: 1182000 21.5093 -24.3266 -45.7354 -20.4899 19.0719 -20.8908 -45.3389 -21.7628 8.13455 TIMING: 1182000 CPU: 3803.67, 0.00319404/step Wall: 3803.67, 0.00319405/step, 3.38746 hours remaining, 230.824219 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: 1182000 3946.2738 20448.3401 14508.8831 260.2445 -203493.4459 2345.2343 0.0000 0.0000 51903.4439 -110081.0263 298.2898 -161984.4702 -109718.9395 298.1903 -11.4321 13.0764 758384.5160 16.5568 16.2386 PRESSURE: 1182200 -98.5848 -89.0589 61.5396 -89.0591 -235.975 5.23093 61.5396 5.23173 -64.8681 GPRESSURE: 1182200 -184.83 -77.1302 19.5298 -73.0907 -106.651 -39.7709 -38.3993 -148.126 -20.8105 PRESSAVG: 1182200 -47.7912 14.1158 -42.1775 14.1156 24.9064 -39.3056 -42.1774 -39.3056 -10.5108 GPRESSAVG: 1182200 -48.1354 16.4352 -42.3456 10.7752 25.1978 -42.0067 -43.4555 -39.6693 -10.7518 TIMING: 1182200 CPU: 3804.32, 0.00320314/step Wall: 3804.32, 0.00320314/step, 3.39692 hours remaining, 230.824219 MB of memory in use. ENERGY: 1182200 3940.3411 20482.9993 14491.6836 251.0705 -203277.9682 2346.0645 0.0000 0.0000 51928.7718 -109837.0373 298.4354 -161765.8091 -109473.8011 298.4946 -133.1428 -104.0973 759746.5764 -11.1318 -11.2298 PRESSURE: 1182400 -149.307 -117.171 0.676147 -117.171 -89.7682 173.665 0.675468 173.666 -55.6608 GPRESSURE: 1182400 -111.4 -134.923 21.4191 -64.3768 -64.2134 230.701 10.2646 35.5564 -8.98167 PRESSAVG: 1182400 -48.3141 40.0487 18.5962 40.0488 2.45171 4.34834 18.5961 4.34829 -9.7426 GPRESSAVG: 1182400 -47.5851 38.4893 19.6721 41.3072 1.66676 6.31834 17.7495 2.28563 -10.2706 TIMING: 1182400 CPU: 3804.95, 0.00318929/step Wall: 3804.95, 0.00318929/step, 3.38206 hours remaining, 230.824219 MB of memory in use. ENERGY: 1182400 4087.4921 20372.9400 14481.8395 245.0694 -203294.1288 2371.4277 0.0000 0.0000 51874.2147 -109861.1454 298.1218 -161735.3601 -109505.4066 298.3345 -98.2452 -61.5317 758697.4726 -18.5350 -18.7297 PRESSURE: 1182600 -137.066 -139.377 256.129 -139.376 -137.406 -24.6128 256.129 -24.612 26.4441 GPRESSURE: 1182600 -108.46 -84.5577 300.882 -130.939 -78.4559 -49.4562 214.341 -8.17764 40.3799 PRESSAVG: 1182600 -27.2938 -40.0464 -5.39731 -40.0464 53.0579 -16.1866 -5.39725 -16.1865 5.89125 GPRESSAVG: 1182600 -29.0876 -37.8015 -7.20415 -38.5284 54.153 -16.6947 -4.11596 -13.6137 6.57154 TIMING: 1182600 CPU: 3805.59, 0.00319584/step Wall: 3805.59, 0.00319584/step, 3.38883 hours remaining, 230.824219 MB of memory in use. ENERGY: 1182600 3998.3412 20565.6527 14388.0344 241.2758 -203698.6399 2561.3826 0.0000 0.0000 52314.5918 -109629.3614 300.6527 -161943.9532 -109260.8253 298.6928 -82.6760 -48.8453 760163.6361 10.5518 10.5456 PRESSURE: 1182800 -147.3 -75.9298 161.956 -75.9286 -34.5869 160.78 161.956 160.78 240.326 GPRESSURE: 1182800 -206.788 -46.6763 147.676 -10.243 91.9308 185.555 291.895 124.005 262.855 PRESSAVG: 1182800 -14.825 -37.002 18.7781 -37.0019 -26.9175 -2.60603 18.7781 -2.60608 2.31708 GPRESSAVG: 1182800 -14.1636 -37.8232 18.8204 -40.1554 -26.6558 -3.09044 17.5621 -1.02673 0.604622 TIMING: 1182800 CPU: 3806.24, 0.00323224/step Wall: 3806.24, 0.00323224/step, 3.42725 hours remaining, 230.824219 MB of memory in use. ENERGY: 1182800 4016.3726 20564.7497 14497.4081 236.2256 -203294.1492 2595.7492 0.0000 0.0000 52131.1620 -109252.4820 299.5985 -161383.6440 -108890.4494 299.7745 19.4798 49.3324 761060.4120 -13.1418 -13.4049 PRESSURE: 1183000 -470.277 71.4496 116.847 71.4486 -86.0782 241.703 116.847 241.703 -60.1018 GPRESSURE: 1183000 -322.223 -27.8219 149.395 1.31715 -125.575 272.772 142.154 109.734 -63.7193 PRESSAVG: 1183000 -13.7246 -47.5371 -19.6885 -47.537 42.3812 101.577 -19.6884 101.577 -30.3741 GPRESSAVG: 1183000 -13.3554 -48.3809 -17.2094 -46.4865 40.9021 103.547 -19.6291 98.4749 -29.2936 TIMING: 1183000 CPU: 3806.88, 0.00318225/step Wall: 3806.88, 0.00318225/step, 3.37407 hours remaining, 230.824219 MB of memory in use. ENERGY: 1183000 3992.4813 20578.4162 14477.1798 237.0928 -203265.3510 2734.2925 0.0000 0.0000 51863.3881 -109382.5003 298.0596 -161245.8884 -109023.3158 300.2952 -205.4857 -170.5057 762033.0242 -0.5725 -0.5823 PRESSURE: 1183200 -195.744 -187.115 98.093 -187.114 69.3268 62.3831 98.0934 62.3833 -7.28885 GPRESSURE: 1183200 -165.443 -196.56 118.934 -175.089 76.0867 83.4955 19.6973 91.7844 57.6998 PRESSAVG: 1183200 4.63958 -36.5442 -40.4583 -36.5442 22.4752 11.638 -40.4583 11.638 -17.4072 GPRESSAVG: 1183200 4.37129 -36.0175 -40.5885 -33.9157 23.2615 8.61996 -40.226 12.0634 -18.2096 TIMING: 1183200 CPU: 3807.52, 0.00324338/step Wall: 3807.52, 0.00324338/step, 3.4387 hours remaining, 230.824219 MB of memory in use. ENERGY: 1183200 3980.2458 20220.5678 14438.4612 262.1684 -202936.4737 2135.1039 0.0000 0.0000 52347.1684 -109552.7582 300.8399 -161899.9267 -109167.6969 299.3019 -44.5687 -10.5523 760278.5830 3.2358 3.1411 PRESSURE: 1183400 106.476 -57.2796 -61.4354 -57.2805 57.4749 -26.6717 -61.4339 -26.6721 333.374 GPRESSURE: 1183400 146.854 26.0889 -51.5546 58.4073 92.1095 -16.1662 -98.826 -36.6757 346.117 PRESSAVG: 1183400 -11.4554 15.3651 -7.72309 15.3651 2.37303 34.9688 -7.72305 34.9688 8.75025 GPRESSAVG: 1183400 -11.1526 14.2216 -8.67926 13.9255 2.08569 35.4564 -6.15773 36.0903 8.97464 TIMING: 1183400 CPU: 3808.17, 0.00323895/step Wall: 3808.17, 0.00323895/step, 3.43383 hours remaining, 230.824219 MB of memory in use. ENERGY: 1183400 4000.0892 20482.4965 14410.0952 257.7538 -203398.4427 2597.7691 0.0000 0.0000 52033.9632 -109616.2757 299.0399 -161650.2389 -109262.3211 298.7942 165.7751 195.0268 759714.5121 -0.1107 -0.0308 PRESSURE: 1183600 -121.71 103.007 -220.431 103.006 32.8701 174.5 -220.432 174.501 -479.432 GPRESSURE: 1183600 -135.975 13.7341 -130.462 137.227 72.6717 197.867 -337.714 191.183 -420.409 PRESSAVG: 1183600 4.89045 15.2013 -11.4585 15.2014 -13.0273 4.81195 -11.4585 4.81188 -22.8865 GPRESSAVG: 1183600 3.57034 16.4698 -12.0152 15.3043 -13.0618 6.08866 -13.0462 4.07909 -21.8121 TIMING: 1183600 CPU: 3808.81, 0.00319541/step Wall: 3808.81, 0.00319541/step, 3.38749 hours remaining, 230.824219 MB of memory in use. ENERGY: 1183600 4000.5091 20408.8758 14522.6772 238.4941 -202857.4903 2089.8885 0.0000 0.0000 52224.0833 -109372.9622 300.1325 -161597.0456 -109011.5933 298.7966 -189.4240 -161.2372 760671.3001 -10.3411 -10.4345 PRESSURE: 1183800 69.1324 -107.095 62.1972 -107.096 111.248 -152.389 62.1974 -152.389 321.668 GPRESSURE: 1183800 200.623 -19.638 -9.33356 -25.902 156.624 -110.255 36.5004 -163.008 235.21 PRESSAVG: 1183800 -20.3812 29.0079 -32.6172 29.0079 -17.5824 9.1674 -32.6172 9.16734 -9.91261 GPRESSAVG: 1183800 -18.1508 29.4822 -32.6988 28.1897 -17.9976 9.06383 -35.2942 9.95663 -11.5378 TIMING: 1183800 CPU: 3809.45, 0.00319015/step Wall: 3809.45, 0.00319015/step, 3.38173 hours remaining, 230.824219 MB of memory in use. ENERGY: 1183800 3942.4277 20472.4405 14444.1353 231.9403 -202944.9154 2219.5048 0.0000 0.0000 52377.4853 -109256.9814 301.0141 -161634.4667 -108890.0849 299.7733 167.3492 197.4856 760395.7989 -15.9587 -15.8954 PRESSURE: 1184000 97.0642 60.2644 102.11 60.263 160.034 -62.4162 102.11 -62.4154 229.346 GPRESSURE: 1184000 115.377 9.49217 184.222 131.075 242.32 -112.275 30.3975 -102.574 222.771 PRESSAVG: 1184000 -15.4504 5.9227 -8.18421 5.92265 18.5428 -25.3114 -8.1842 -25.3113 -3.83077 GPRESSAVG: 1184000 -15.3613 4.50556 -7.30942 5.4971 19.3849 -25.2445 -8.67188 -25.514 -4.32307 TIMING: 1184000 CPU: 3810.08, 0.0031517/step Wall: 3810.08, 0.0031517/step, 3.3408 hours remaining, 230.824219 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: 1184000 3939.6567 20496.8508 14516.9385 224.0330 -203239.5994 2569.3775 0.0000 0.0000 52235.9871 -109256.7558 300.2009 -161492.7429 -108897.5763 299.8582 162.1481 193.4894 758663.7326 -0.2461 -0.0998 PRESSURE: 1184200 -105.937 427.752 -70.794 427.752 -171.615 -59.4609 -70.7946 -59.4623 -227.824 GPRESSURE: 1184200 -64.4277 363.877 -14.3028 432.176 -173.159 -64.0758 -102.742 -50.2693 -181.825 PRESSAVG: 1184200 35.846 14.3368 -8.19309 14.3368 7.17338 -44.4181 -8.19311 -44.4182 5.42112 GPRESSAVG: 1184200 33.7193 13.644 -7.50114 14.8691 7.27102 -44.8511 -5.18171 -44.8934 7.40369 TIMING: 1184200 CPU: 3810.71, 0.00316692/step Wall: 3810.71, 0.00316692/step, 3.35676 hours remaining, 230.824219 MB of memory in use. ENERGY: 1184200 4049.0114 20558.8672 14411.1183 260.4200 -202541.3578 2108.5183 0.0000 0.0000 51850.8019 -109302.6208 297.9873 -161153.4228 -108951.1733 299.5130 -168.4586 -139.8036 759288.5729 16.1468 16.1313 LDB: ============= START OF LOAD BALANCING ============== 3823.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3823.13 LDB: =============== DONE WITH MIGRATION ================ 3823.14 LDB: ============= START OF LOAD BALANCING ============== 3823.46 LDB: Largest compute 7034 load 0.035438 is 18.2% of average load 0.195214 LDB: Average compute 0.004389 is 2.2% of average load 0.195214 LDB: TIME 3823.46 LOAD: AVG 0.195214 MAX 0.214699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.105 MB LDB: TIME 3823.46 LOAD: AVG 0.195214 MAX 0.214699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: TIME 3823.46 LOAD: AVG 0.195214 MAX 0.214699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: ============== END OF LOAD BALANCING =============== 3823.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3823.47 PRESSURE: 1184400 -272.598 -32.1064 113.616 -32.106 -567.906 181.569 113.617 181.569 -266.855 GPRESSURE: 1184400 -301.941 -47.8858 216.241 -7.81174 -438.822 154.459 102.224 205.698 -269.433 PRESSAVG: 1184400 114.933 9.68314 9.09142 9.68311 -55.4851 -0.504532 9.09152 -0.504518 -2.64989 GPRESSAVG: 1184400 115.518 12.341 6.60799 7.29753 -55.1441 -0.775402 6.6531 0.413792 -3.82085 TIMING: 1184400 CPU: 3811.36, 0.0032532/step Wall: 3811.36, 0.0032532/step, 3.44803 hours remaining, 230.824219 MB of memory in use. ENERGY: 1184400 3977.0081 20398.0716 14490.1735 246.3978 -202952.4888 2072.7136 0.0000 0.0000 52208.4402 -109559.6839 300.0426 -161768.1241 -109184.8861 299.3548 -369.1197 -336.7319 759899.5501 18.9326 18.8511 PRESSURE: 1184600 76.3617 -33.5068 35.0728 -33.5077 532.716 -8.42681 35.0728 -8.42675 63.916 GPRESSURE: 1184600 187.636 -24.317 40.6755 -91.3952 496.77 -34.5505 70.5871 5.22995 79.8242 PRESSAVG: 1184600 57.7939 -10.7548 25.3502 -10.7548 -29.9777 -23.8015 25.3502 -23.8015 -11.0839 GPRESSAVG: 1184600 57.6412 -13.803 28.0635 -8.93831 -30.7516 -23.2832 30.0474 -23.0291 -10.1224 TIMING: 1184600 CPU: 3812.01, 0.00321037/step Wall: 3812.01, 0.00321038/step, 3.40246 hours remaining, 231.027344 MB of memory in use. ENERGY: 1184600 3971.2967 20634.8962 14495.4066 248.2563 -203050.5719 2429.9929 0.0000 0.0000 51593.0547 -109677.6684 296.5060 -161270.7231 -109322.3850 298.4624 224.3314 254.7432 759825.3021 5.5774 5.5891 PRESSURE: 1184800 233.807 -191.079 84.0564 -191.08 -202.939 49.4675 84.0575 49.4677 -529.553 GPRESSURE: 1184800 266.79 -91.4276 122.259 -140.106 -249.018 85.4676 -27.0174 92.3212 -448.05 PRESSAVG: 1184800 18.0788 -22.2445 17.6261 -22.2446 -39.8852 9.36723 17.6261 9.36716 3.01969 GPRESSAVG: 1184800 17.563 -21.104 15.4107 -23.745 -39.1924 10.7248 14.4375 8.39297 2.93036 TIMING: 1184800 CPU: 3812.64, 0.00318231/step Wall: 3812.64, 0.00318231/step, 3.37255 hours remaining, 231.027344 MB of memory in use. ENERGY: 1184800 3961.0792 20535.6858 14467.4176 235.6706 -203160.0053 2385.6520 0.0000 0.0000 51830.4045 -109744.0956 297.8700 -161574.5001 -109385.0462 298.4039 -166.2281 -143.4264 761734.5413 -6.2622 -6.2330 PRESSURE: 1185000 -216.478 -80.0214 211.823 -80.0213 -248.22 107.174 211.824 107.174 -198.564 GPRESSURE: 1185000 -220.225 -81.5234 112.421 -190.249 -175.418 125.707 179.311 135.911 -186.048 PRESSAVG: 1185000 -8.56277 -72.2389 40.7178 -72.2389 9.08065 21.6339 40.7178 21.6339 -18.8588 GPRESSAVG: 1185000 -7.28481 -72.7013 40.1206 -69.8681 8.83223 21.5991 40.1023 20.4014 -19.8575 TIMING: 1185000 CPU: 3813.28, 0.00319514/step Wall: 3813.28, 0.00319514/step, 3.38596 hours remaining, 231.027344 MB of memory in use. ENERGY: 1185000 3890.9071 20399.1048 14497.6140 235.3331 -202869.5693 2212.5969 0.0000 0.0000 52005.3184 -109628.6951 298.8753 -161634.0135 -109264.6261 298.6438 -221.0874 -193.8972 762349.2221 -6.1136 -6.1034 PRESSURE: 1185200 -23.5998 -92.3623 -6.884 -92.362 -297.665 -80.1957 -6.88439 -80.1959 213.255 GPRESSURE: 1185200 -0.087397 -79.6036 -26.0932 -26.8747 -175.726 -74.2806 -201.765 -76.6458 149.62 PRESSAVG: 1185200 -3.14693 -13.5503 40.5058 -13.5503 29.6201 -17.9063 40.5058 -17.9062 11.1378 GPRESSAVG: 1185200 -3.75326 -12.4394 42.2416 -15.299 29.8663 -18.0594 39.3543 -18.4087 11.9065 TIMING: 1185200 CPU: 3813.92, 0.00318607/step Wall: 3813.92, 0.00318607/step, 3.37618 hours remaining, 231.027344 MB of memory in use. ENERGY: 1185200 3958.5113 20505.8618 14461.0650 245.7697 -203077.1082 2211.9913 0.0000 0.0000 52020.5214 -109673.3878 298.9627 -161693.9091 -109308.0466 298.3596 -36.0034 -8.7311 762452.0379 12.5370 12.6732 PRESSURE: 1185400 -9.63894 -47.4686 -30.9212 -47.4694 -246.974 -172.821 -30.9206 -172.82 -425.268 GPRESSURE: 1185400 19.0695 47.2173 -84.2262 -57.0335 -233.835 -115.018 -45.3428 -241.828 -381.24 PRESSAVG: 1185400 -11.4922 -10.7988 -10.7697 -10.7988 -4.86242 -4.91564 -10.7697 -4.91573 -12.648 GPRESSAVG: 1185400 -11.8227 -11.6639 -10.4935 -9.71275 -3.70851 -5.13823 -8.52632 -2.86623 -13.568 TIMING: 1185400 CPU: 3814.57, 0.0032378/step Wall: 3814.57, 0.0032378/step, 3.43081 hours remaining, 231.027344 MB of memory in use. ENERGY: 1185400 3974.0813 20600.2913 14425.4516 243.9117 -203075.5442 2360.5293 0.0000 0.0000 51821.2558 -109650.0231 297.8175 -161471.2789 -109295.9637 298.6762 -227.2939 -198.6685 761880.3626 -9.6675 -9.6997 PRESSURE: 1185600 259.484 14.8782 47.5286 14.8781 40.1164 -36.1538 47.5292 -36.1528 -118.36 GPRESSURE: 1185600 223.356 74.8568 33.3265 -39.7307 47.9594 31.3152 68.0966 -62.4245 -31.1642 PRESSAVG: 1185600 24.6728 -26.5132 49.4973 -26.5132 -14.4181 -62.0243 49.4973 -62.0243 -0.863668 GPRESSAVG: 1185600 24.6849 -25.0499 48.5853 -27.5648 -16.388 -62.6933 48.6786 -63.4262 0.588307 TIMING: 1185600 CPU: 3815.21, 0.0032123/step Wall: 3815.21, 0.0032123/step, 3.40361 hours remaining, 231.027344 MB of memory in use. ENERGY: 1185600 3864.2504 20277.0825 14574.1967 251.8889 -203747.0420 2552.9342 0.0000 0.0000 52205.0682 -110021.6211 300.0232 -162226.6893 -109656.3630 298.4539 60.4136 80.0504 758948.8448 3.1303 2.9617 PRESSURE: 1185800 126.322 103.623 -232.904 103.622 -179.785 -11.3583 -232.903 -11.3581 332.235 GPRESSURE: 1185800 138.897 -0.277083 -178.303 53.466 -87.3621 -101.771 -188.408 -27.3075 333.421 PRESSAVG: 1185800 -28.8473 -0.617699 52.9072 -0.617692 73.9242 -21.0712 52.9072 -21.0713 -20.7858 GPRESSAVG: 1185800 -29.1154 -2.29204 53.4987 -1.78264 74.6958 -21.1519 52.0602 -19.6849 -21.2111 TIMING: 1185800 CPU: 3815.85, 0.00319528/step Wall: 3815.85, 0.00319528/step, 3.3854 hours remaining, 231.027344 MB of memory in use. ENERGY: 1185800 3984.9735 20467.6567 14543.0324 241.8647 -203648.7663 2397.8587 0.0000 0.0000 51801.8327 -110211.5477 297.7058 -162013.3803 -109851.8156 297.8666 92.9244 128.3184 758194.6979 8.0970 8.1231 PRESSURE: 1186000 -177.194 -248.081 -6.50537 -248.083 -471.583 204.973 -6.50565 204.973 330.146 GPRESSURE: 1186000 -154.46 -261.666 -16.0894 -174.217 -423.27 181.083 -13.6813 129.559 337.862 PRESSAVG: 1186000 -83.1676 15.8984 37.6745 15.8984 69.4826 30.9298 37.6746 30.9298 -5.03062 GPRESSAVG: 1186000 -82.1895 15.7968 36.9221 16.9015 68.4228 30.0125 38.4441 30.4062 -4.86715 TIMING: 1186000 CPU: 3816.48, 0.00318437/step Wall: 3816.48, 0.00318438/step, 3.37367 hours remaining, 231.027344 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: 1186000 3996.0256 20524.5796 14517.8395 256.3025 -203661.1527 2462.1477 0.0000 0.0000 51897.2670 -110006.9908 298.2543 -161904.2578 -109654.0833 298.0263 -106.2104 -79.9561 759793.5291 -6.2386 -6.2113 PRESSURE: 1186200 -235.387 153.065 96.5712 153.065 15.8689 109.967 96.5709 109.967 -353.374 GPRESSURE: 1186200 -256.795 162.042 52.7905 -13.4499 64.9602 88.2726 92.7972 43.772 -277.294 PRESSAVG: 1186200 -3.4319 -2.99398 7.23394 -2.99399 27.7035 36.7012 7.23394 36.7012 -18.9003 GPRESSAVG: 1186200 -3.03207 -1.30381 6.7804 -3.31526 27.9562 36.0567 7.13083 37.7513 -19.5138 TIMING: 1186200 CPU: 3817.12, 0.00318048/step Wall: 3817.12, 0.00318048/step, 3.36937 hours remaining, 231.027344 MB of memory in use. ENERGY: 1186200 3992.1570 20388.1862 14552.6729 252.6749 -203858.7425 2743.1274 0.0000 0.0000 51758.6945 -110171.2296 297.4579 -161929.9241 -109813.3113 297.7664 -190.9640 -156.3762 759607.6901 1.7905 1.8034 PRESSURE: 1186400 69.9672 -242.762 45.3238 -242.763 154.577 204.3 45.3237 204.301 -112.678 GPRESSURE: 1186400 123.909 -168.837 104.124 -145.833 173.55 240.531 37.7583 84.2945 -81.2685 PRESSAVG: 1186400 -32.552 -46.6385 5.61691 -46.6385 22.3915 15.9295 5.61693 15.9295 11.5778 GPRESSAVG: 1186400 -33.4537 -47.8965 6.41132 -45.3481 22.6808 15.1902 5.03702 14.8591 12.8199 TIMING: 1186400 CPU: 3817.75, 0.00317157/step Wall: 3817.75, 0.00317157/step, 3.35975 hours remaining, 231.027344 MB of memory in use. ENERGY: 1186400 4013.1372 20383.3501 14497.2637 261.9165 -203841.4969 2691.4844 0.0000 0.0000 52196.8133 -109797.5317 299.9758 -161994.3450 -109434.6876 298.4171 37.2888 72.0634 760181.0028 0.4724 0.6824 PRESSURE: 1186600 14.3244 -10.6691 103.972 -10.67 -521.051 -82.9493 103.972 -82.9504 -160.577 GPRESSURE: 1186600 -38.6867 -110.57 84.6616 18.3213 -335.249 -14.5755 145.593 58.9159 -224.889 PRESSAVG: 1186600 -9.93289 -61.1051 60.6906 -61.1051 -8.52874 0.101949 60.6906 0.101946 6.84249 GPRESSAVG: 1186600 -8.91079 -61.5899 59.5674 -61.9609 -8.41295 1.19573 60.8185 2.30752 5.31908 TIMING: 1186600 CPU: 3818.39, 0.00316303/step Wall: 3818.39, 0.00316303/step, 3.35052 hours remaining, 231.027344 MB of memory in use. ENERGY: 1186600 3999.5833 20689.2445 14560.9058 254.3164 -203520.6425 2391.2450 0.0000 0.0000 51848.9848 -109776.3627 297.9768 -161625.3475 -109418.7591 298.6013 -222.4347 -199.6082 759902.1461 -3.8730 -4.0016 PRESSURE: 1186800 236.333 -91.9436 165.793 -91.9433 96.8564 326.824 165.793 326.824 -123.298 GPRESSURE: 1186800 259.234 -124.598 265.227 22.7808 93.3618 298.813 39.5298 128.639 -62.8966 PRESSAVG: 1186800 -22.0295 -58.3535 41.3161 -58.3534 24.1058 46.4278 41.3161 46.4277 16.82 GPRESSAVG: 1186800 -22.4962 -58.0409 43.7854 -57.8384 22.9991 45.7506 40.8796 44.8697 18.483 TIMING: 1186800 CPU: 3819.02, 0.00316822/step Wall: 3819.02, 0.00316822/step, 3.35585 hours remaining, 231.027344 MB of memory in use. ENERGY: 1186800 3938.8921 20417.7996 14485.9044 249.6971 -203477.2147 2624.4247 0.0000 0.0000 52193.2538 -109567.2432 299.9553 -161760.4970 -109196.9348 298.3630 69.9637 96.5663 760271.5586 6.2988 6.3286 PRESSURE: 1187000 16.2258 -142.912 229.06 -142.912 324.405 25.2674 229.061 25.2675 574.626 GPRESSURE: 1187000 20.5567 -145.525 142.883 -38.6176 338.517 68.8946 248.227 -8.57578 654.93 PRESSAVG: 1187000 -42.1026 -11.433 -4.05371 -11.433 -3.46233 14.9478 -4.05375 14.9478 4.11639 GPRESSAVG: 1187000 -41.7715 -10.4398 -7.33022 -12.828 -3.09076 17.0272 -1.38954 14.5464 3.1708 TIMING: 1187000 CPU: 3819.66, 0.00318649/step Wall: 3819.66, 0.00318649/step, 3.37503 hours remaining, 231.027344 MB of memory in use. ENERGY: 1187000 3922.2297 20491.3255 14500.2735 256.5735 -202901.0612 2278.2057 0.0000 0.0000 51865.1896 -109587.2637 298.0700 -161452.4533 -109238.5839 298.5808 305.0856 338.0014 760153.8528 -13.8162 -13.8972 PRESSURE: 1187200 -210.09 -73.103 218.982 -73.1028 -125.817 49.9571 218.982 49.9551 -63.1712 GPRESSURE: 1187200 -169.383 -121.289 290.193 -80.4925 -38.542 -39.6482 223.33 -63.467 -82.8292 PRESSAVG: 1187200 -40.9491 0.403822 0.0476954 0.403847 48.198 31.9516 0.0477025 31.9517 -2.70561 GPRESSAVG: 1187200 -42.4648 -0.303402 2.78514 1.44452 48.665 32.8504 -2.84912 30.8756 -1.33438 TIMING: 1187200 CPU: 3820.3, 0.00318995/step Wall: 3820.3, 0.00318995/step, 3.37851 hours remaining, 231.027344 MB of memory in use. ENERGY: 1187200 3952.5223 20373.6122 14540.7711 254.5041 -202962.2086 2273.9280 0.0000 0.0000 52145.8248 -109421.0460 299.6828 -161566.8708 -109060.6969 298.6568 -133.0260 -96.9182 759797.5981 1.5144 1.6219 PRESSURE: 1187400 -12.045 111.246 -64.1426 111.246 -97.0925 118.067 -64.1415 118.067 373.594 GPRESSURE: 1187400 30.2612 28.0894 -100.601 217.616 -51.5736 125.383 -48.4166 12.3906 378.739 PRESSAVG: 1187400 -43.1026 2.28315 10.8482 2.28314 25.5798 1.61281 10.8482 1.61285 7.62179 GPRESSAVG: 1187400 -41.2482 1.05382 8.79958 0.912895 24.8193 0.558425 11.8306 1.73224 6.64051 TIMING: 1187400 CPU: 3820.94, 0.00323045/step Wall: 3820.94, 0.00323045/step, 3.42123 hours remaining, 231.027344 MB of memory in use. ENERGY: 1187400 3945.4599 20457.8780 14492.0386 227.5674 -203156.6142 2373.3213 0.0000 0.0000 52025.6652 -109634.6838 298.9922 -161660.3491 -109270.4274 298.5576 88.1521 119.1424 761061.8876 -3.3003 -3.2628 PRESSURE: 1187600 -356.543 -94.4109 -111.431 -94.4103 -4.82646 -218.538 -111.431 -218.538 365.129 GPRESSURE: 1187600 -279.547 -86.5273 -164.413 -52.0051 46.8551 -184.15 15.1246 -170.025 311.74 PRESSAVG: 1187600 -11.4008 -11.5836 24.2541 -11.5836 -6.52082 11.7463 24.2541 11.7463 3.3496 GPRESSAVG: 1187600 -10.33 -9.58037 23.9126 -11.082 -7.05443 11.4559 25.9372 11.4869 2.78291 TIMING: 1187600 CPU: 3821.59, 0.00321812/step Wall: 3821.59, 0.00321812/step, 3.40799 hours remaining, 231.027344 MB of memory in use. ENERGY: 1187600 3905.5384 20460.7319 14492.5569 235.9612 -202935.5770 2358.4174 0.0000 0.0000 52065.7368 -109416.6343 299.2225 -161482.3711 -109053.7321 298.8099 1.2533 26.3494 760291.6831 -4.8573 -4.8672 PRESSURE: 1187800 267.24 -138.132 228.59 -138.132 64.646 73.2452 228.59 73.2465 115.077 GPRESSURE: 1187800 292.242 -66.4296 283.904 -91.0051 69.6406 59.3167 302.387 146.799 163.449 PRESSAVG: 1187800 -25.1007 -36.5099 -27.1841 -36.5099 57.12 1.60244 -27.1841 1.60245 12.0367 GPRESSAVG: 1187800 -24.9013 -36.4707 -25.6541 -36.3181 57.6379 1.91598 -27.016 1.49956 11.5516 TIMING: 1187800 CPU: 3822.23, 0.00323995/step Wall: 3822.23, 0.00323995/step, 3.43093 hours remaining, 231.027344 MB of memory in use. ENERGY: 1187800 3937.1673 20609.7771 14462.6132 223.8260 -202894.2212 2393.8934 0.0000 0.0000 51750.3510 -109516.5932 297.4100 -161266.9442 -109154.7823 299.0048 148.9877 175.1106 760877.6722 14.6853 14.7627 PRESSURE: 1188000 11.1051 40.5832 -76.1159 40.5831 -196.646 168.809 -76.1155 168.809 198.755 GPRESSURE: 1188000 106.505 108.18 -123.351 11.2905 -202.83 212.327 -80.5902 90.3151 162.446 PRESSAVG: 1188000 -10.6357 -47.6673 57.2852 -47.6672 -47.6755 33.7544 57.2852 33.7545 -13.6947 GPRESSAVG: 1188000 -11.1691 -49.0751 56.1819 -47.9567 -48.1427 34.9362 57.2974 33.1382 -12.5232 TIMING: 1188000 CPU: 3822.87, 0.00319604/step Wall: 3822.87, 0.00319604/step, 3.38425 hours remaining, 231.027344 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: 1188000 3955.8750 20460.6763 14446.5120 268.5830 -203135.9499 2474.1253 0.0000 0.0000 52145.2054 -109384.9729 299.6792 -161530.1783 -109022.9794 298.9047 4.4047 22.0402 763093.6566 -24.0020 -23.9450 PRESSURE: 1188200 -68.6444 -10.9726 70.518 -10.972 55.4366 -86.3934 70.5183 -86.394 -106.563 GPRESSURE: 1188200 -53.9845 37.0154 -102.959 29.9562 59.3792 -63.6277 -40.9193 -231.79 -45.7473 PRESSAVG: 1188200 -10.6823 -30.499 42.5279 -30.4989 29.9547 11.8804 42.528 11.8804 5.50947 GPRESSAVG: 1188200 -10.1623 -30.4153 41.9325 -31.1103 30.2756 9.23328 41.003 14.129 5.12367 TIMING: 1188200 CPU: 3823.5, 0.00315526/step Wall: 3823.5, 0.00315526/step, 3.34089 hours remaining, 231.027344 MB of memory in use. ENERGY: 1188200 3931.2587 20511.1330 14538.3824 243.1897 -203159.1203 2342.0269 0.0000 0.0000 52197.3634 -109395.7661 299.9790 -161593.1295 -109041.5607 299.0880 -39.9237 -13.4509 761596.3361 8.2607 8.4124 LDB: ============= START OF LOAD BALANCING ============== 3835.93 LDB: ============== END OF LOAD BALANCING =============== 3835.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3835.93 LDB: ============= START OF LOAD BALANCING ============== 3836.25 LDB: Largest compute 7034 load 0.036343 is 18.6% of average load 0.195223 LDB: Average compute 0.004378 is 2.2% of average load 0.195223 LDB: TIME 3836.25 LOAD: AVG 0.195223 MAX 0.215471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.336 MB LDB: TIME 3836.25 LOAD: AVG 0.195223 MAX 0.215471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.336 MB LDB: TIME 3836.25 LOAD: AVG 0.195223 MAX 0.215471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.336 MB LDB: ============== END OF LOAD BALANCING =============== 3836.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3836.26 PRESSURE: 1188400 209.662 -229.302 -4.81401 -229.302 -358.19 -7.92175 -4.81365 -7.92078 -645.247 GPRESSURE: 1188400 71.6108 -87.9212 -37.9059 -172.585 -227.812 146.343 92.6622 -40.977 -548.269 PRESSAVG: 1188400 4.98317 13.0837 55.0524 13.0837 12.8432 35.4123 55.0524 35.4123 14.3261 GPRESSAVG: 1188400 4.4264 13.0067 55.3515 15.2486 12.9072 35.9486 55.1005 38.0848 14.8761 TIMING: 1188400 CPU: 3824.15, 0.00323243/step Wall: 3824.15, 0.00323243/step, 3.42242 hours remaining, 231.851562 MB of memory in use. ENERGY: 1188400 4073.5738 20382.4999 14517.7781 254.5498 -202606.1324 2079.2026 0.0000 0.0000 51850.2641 -109448.2640 297.9842 -161298.5282 -109087.2253 298.9543 -264.5916 -234.8231 759855.8163 10.7175 10.7366 PRESSURE: 1188600 -359.126 181.258 79.8784 181.257 -688.839 100.586 79.8785 100.586 -374.251 GPRESSURE: 1188600 -312.176 92.0363 112.957 163.057 -576.552 31.1038 -4.28412 205.584 -444.149 PRESSAVG: 1188600 67.247 -5.17965 -5.70405 -5.17964 -47.1191 99.3247 -5.70405 99.3246 -8.43109 GPRESSAVG: 1188600 67.7594 -5.08584 -5.33372 -6.65816 -47.0302 98.2071 -5.44102 96.7282 -8.87102 TIMING: 1188600 CPU: 3824.79, 0.00321264/step Wall: 3824.79, 0.00321264/step, 3.40129 hours remaining, 231.921875 MB of memory in use. ENERGY: 1188600 4052.6137 20553.4261 14483.7028 240.0427 -202925.9066 2115.2813 0.0000 0.0000 52014.4367 -109466.4033 298.9277 -161480.8400 -109110.8045 299.0639 -474.0720 -444.2922 761331.1485 3.8989 3.9527 PRESSURE: 1188800 -161.949 25.5019 -160.749 25.5001 -39.1014 248.505 -160.75 248.505 -318.602 GPRESSURE: 1188800 -56.8288 -38.9131 -127.044 63.412 -40.0458 289.891 -48.9282 116.868 -330.311 PRESSAVG: 1188800 21.4302 -37.6711 40.0847 -37.6712 6.08132 1.40115 40.0848 1.40125 -9.48357 GPRESSAVG: 1188800 20.4417 -37.8901 40.4235 -36.8293 6.44358 4.41471 38.1806 1.47008 -8.0583 TIMING: 1188800 CPU: 3825.44, 0.00322658/step Wall: 3825.44, 0.00322658/step, 3.41587 hours remaining, 231.992188 MB of memory in use. ENERGY: 1188800 3970.6840 20440.9875 14541.5976 259.3359 -203318.1457 2451.2497 0.0000 0.0000 52453.0302 -109201.2609 301.4483 -161654.2911 -108829.0101 299.7221 -173.2174 -142.3953 759379.5403 6.0093 6.2757 PRESSURE: 1189000 -66.3531 165.376 263.313 165.375 -261.881 -21.1691 263.312 -21.1712 -345.572 GPRESSURE: 1189000 -119.993 161.055 257.08 120.1 -179.203 -59.6775 150.443 -76.0372 -289.264 PRESSAVG: 1189000 -43.8708 23.8921 19.0559 23.8921 31.9733 2.58643 19.0559 2.58649 -19.257 GPRESSAVG: 1189000 -43.453 23.8832 18.4318 24.5355 33.1939 2.59888 20.5209 2.44433 -20.984 TIMING: 1189000 CPU: 3826.09, 0.00324907/step Wall: 3826.09, 0.00324907/step, 3.43951 hours remaining, 231.992188 MB of memory in use. ENERGY: 1189000 3980.3275 20592.4530 14507.0599 231.5850 -202755.6730 2196.4965 0.0000 0.0000 52147.7727 -109099.9784 299.6940 -161247.7511 -108736.7004 299.7758 -224.6019 -196.1531 760936.8058 -10.3849 -10.4144 PRESSURE: 1189200 106.555 32.6667 280.759 32.6667 283.962 110.23 280.76 110.229 179.439 GPRESSURE: 1189200 120.746 -39.6351 251.003 36.2193 373.367 -49.348 134.208 167.397 161.024 PRESSAVG: 1189200 -27.6579 -40.5783 -46.1586 -40.5783 34.4724 17.8938 -46.1586 17.8938 11.1994 GPRESSAVG: 1189200 -27.8201 -37.9317 -44.8799 -42.4228 33.3261 16.2762 -48.3476 17.4269 12.4324 TIMING: 1189200 CPU: 3826.74, 0.00323945/step Wall: 3826.74, 0.00323945/step, 3.42914 hours remaining, 231.992188 MB of memory in use. ENERGY: 1189200 3904.3336 20788.6305 14498.2502 249.4729 -203098.6601 2532.4917 0.0000 0.0000 51900.7938 -109224.6873 298.2746 -161125.4810 -108862.1217 299.9244 189.9850 218.3788 760297.5713 6.0046 5.9795 PRESSURE: 1189400 222.211 83.1032 29.0781 83.1034 -62.5916 43.8307 29.0791 43.8311 -505.224 GPRESSURE: 1189400 236.394 54.6977 -33.2584 27.8984 -25.0772 35.8359 46.7943 187.998 -465.177 PRESSAVG: 1189400 -18.3078 -53.9008 -16.449 -53.9008 -13.0318 16.059 -16.449 16.059 0.939387 GPRESSAVG: 1189400 -18.0615 -56.9453 -17.5713 -54.2071 -13.0729 16.0959 -14.7107 16.9767 1.08216 TIMING: 1189400 CPU: 3827.38, 0.00323936/step Wall: 3827.38, 0.00323936/step, 3.42886 hours remaining, 231.992188 MB of memory in use. ENERGY: 1189400 3989.5358 20600.1732 14461.3936 262.1637 -203233.0411 2414.0513 0.0000 0.0000 52343.6611 -109162.0625 300.8197 -161505.7236 -108805.3948 300.0574 -115.2018 -84.6199 760625.3911 -10.1334 -10.0174 PRESSURE: 1189600 -279.821 -37.2326 65.6978 -37.2312 -61.8453 110.136 65.6979 110.136 -449.746 GPRESSURE: 1189600 -170.457 -14.7496 94.0291 -149.362 -92.2977 110.148 -6.56522 46.5454 -422.033 PRESSAVG: 1189600 32.4146 -74.2383 -5.89336 -74.2383 20.4067 29.1854 -5.89328 29.1854 -2.65522 GPRESSAVG: 1189600 33.0588 -72.9193 -6.39863 -74.0821 20.2076 29.282 -4.17816 27.8441 -3.20612 TIMING: 1189600 CPU: 3828.04, 0.00326497/step Wall: 3828.04, 0.00326497/step, 3.45579 hours remaining, 231.992188 MB of memory in use. ENERGY: 1189600 4042.5641 20573.9461 14469.3476 253.8050 -203199.9693 2498.1937 0.0000 0.0000 52152.6378 -109209.4750 299.7219 -161362.1127 -108839.4783 300.0736 -263.8043 -228.2628 762799.0853 16.7220 16.6868 PRESSURE: 1189800 80.2635 23.6109 -134.947 23.6113 -126.731 -26.6285 -134.948 -26.6293 -202.08 GPRESSURE: 1189800 34.5853 24.1882 -119.09 62.2355 1.1914 -47.2469 44.4803 34.1054 -209.009 PRESSAVG: 1189800 6.41687 -48.0816 -20.874 -48.0816 -17.369 10.2019 -20.8739 10.2019 -4.52281 GPRESSAVG: 1189800 7.92235 -47.9558 -19.1896 -44.6311 -16.9916 11.3631 -22.4478 11.3611 -6.23234 TIMING: 1189800 CPU: 3828.7, 0.00331151/step Wall: 3828.7, 0.00331151/step, 3.50487 hours remaining, 231.992188 MB of memory in use. ENERGY: 1189800 3988.5071 20536.4182 14515.0796 243.3393 -203518.9786 2642.3013 0.0000 0.0000 52449.5789 -109143.7542 301.4285 -161593.3331 -108783.7393 299.4347 -82.8493 -57.7440 761902.0983 -5.1583 -5.1005 PRESSURE: 1190000 -134.584 -265.727 78.7759 -265.727 -67.6059 321.614 78.7764 321.615 -177.921 GPRESSURE: 1190000 -81.2344 -247.98 194.184 -141.449 -34.6722 297.127 87.4589 253.555 -166.732 PRESSAVG: 1190000 -38.6386 -10.3729 14.7255 -10.373 30.6438 15.3852 14.7256 15.3851 -16.9924 GPRESSAVG: 1190000 -39.8419 -12.1012 14.4117 -13.8078 30.6617 14.7611 16.3957 15.3408 -15.7293 TIMING: 1190000 CPU: 3829.34, 0.003224/step Wall: 3829.34, 0.003224/step, 3.41206 hours remaining, 231.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1190000 4066.6847 20629.8347 14508.5409 232.9498 -203190.2012 2376.0091 0.0000 0.0000 52239.4962 -109136.6858 300.2211 -161376.1820 -108765.0280 300.2346 -126.7037 -94.2128 759944.2837 -8.3291 -8.3032 PRESSURE: 1190200 -41.4117 -128.377 283.517 -128.377 5.59241 -93.1017 283.516 -93.102 -380.898 GPRESSURE: 1190200 -31.9924 -37.8321 274.621 -194.773 8.52129 2.70585 161.917 -8.94878 -309.204 PRESSAVG: 1190200 -41.9535 -36.0866 -8.05648 -36.0865 69.4771 62.0977 -8.05651 62.0977 -9.25746 GPRESSAVG: 1190200 -41.2899 -35.593 -8.65748 -36.5826 68.4979 62.7001 -8.92201 61.7035 -9.55542 TIMING: 1190200 CPU: 3829.98, 0.00316107/step Wall: 3829.98, 0.00316107/step, 3.34529 hours remaining, 231.992188 MB of memory in use. ENERGY: 1190200 4029.2049 20612.8621 14522.0899 248.5266 -203045.0409 2190.8114 0.0000 0.0000 52196.0177 -109245.5283 299.9712 -161441.5460 -108872.3914 299.8893 -138.9057 -110.8919 760513.0253 6.0887 5.8842 PRESSURE: 1190400 -176.045 -161.556 87.9319 -161.556 -83.5926 -183.317 87.9311 -183.318 405.364 GPRESSURE: 1190400 -94.2036 -98.16 42.363 -163.072 -25.1297 -203.46 73.0378 -189.071 356.28 PRESSAVG: 1190400 -4.24581 -28.1822 -10.7706 -28.1822 46.4488 -28.7125 -10.7707 -28.7125 27.9626 GPRESSAVG: 1190400 -4.56863 -28.3092 -10.4783 -27.3845 47.4315 -28.1489 -11.4506 -28.8797 26.9898 TIMING: 1190400 CPU: 3830.61, 0.00318949/step Wall: 3830.61, 0.00318949/step, 3.37519 hours remaining, 231.992188 MB of memory in use. ENERGY: 1190400 4057.5689 20715.4972 14456.4855 236.1956 -203167.0039 2337.4394 0.0000 0.0000 51984.8432 -109378.9740 298.7576 -161363.8172 -109024.6331 299.7804 48.5754 78.9822 760443.6038 23.3885 23.2842 PRESSURE: 1190600 -238.43 41.0431 -48.8299 41.0433 -145.275 -198.005 -48.8311 -198.005 -206.684 GPRESSURE: 1190600 -233.035 -12.6137 25.794 58.1845 -91.9296 -176.65 -61.1594 -107.875 -174.432 PRESSAVG: 1190600 -2.46687 23.9971 -3.93528 23.997 -15.8251 38.3983 -3.93533 38.3982 -2.35805 GPRESSAVG: 1190600 -3.04084 26.234 -2.95014 22.4434 -16.7025 36.9369 -3.36915 39.3889 -1.04693 TIMING: 1190600 CPU: 3831.25, 0.00319945/step Wall: 3831.25, 0.00319945/step, 3.38555 hours remaining, 231.992188 MB of memory in use. ENERGY: 1190600 4067.6712 20536.4432 14454.0959 254.3416 -203397.5520 2394.2619 0.0000 0.0000 52160.9358 -109529.8024 299.7696 -161690.7382 -109152.2528 299.6135 -196.7964 -166.4655 761274.8550 -6.8834 -6.9301 PRESSURE: 1190800 4.29445 0.469193 -126.763 0.468984 156.113 29.7394 -126.763 29.7408 153.782 GPRESSURE: 1190800 28.0312 -84.86 -188.216 110.101 87.9163 37.1627 -47.139 -70.1274 286.577 PRESSAVG: 1190800 -46.972 7.75423 42.6884 7.7542 75.725 2.2406 42.6884 2.24056 9.47053 GPRESSAVG: 1190800 -46.4965 7.679 42.658 7.59509 75.9312 4.69875 41.7725 0.197496 9.06666 TIMING: 1190800 CPU: 3831.89, 0.00318357/step Wall: 3831.89, 0.00318357/step, 3.36858 hours remaining, 231.992188 MB of memory in use. ENERGY: 1190800 4030.6401 20488.6723 14480.9533 257.4750 -203370.7835 2493.3167 0.0000 0.0000 51937.9032 -109681.8229 298.4878 -161619.7261 -109319.2743 299.0552 104.7299 134.1747 759801.3716 12.7412 12.8338 PRESSURE: 1191000 -289.961 70.1987 -89.8276 70.1986 -312.698 263.988 -89.8285 263.989 132.591 GPRESSURE: 1191000 -210 99.4936 -101.589 126.842 -217.141 273.288 -114.326 -9.22706 55.59 PRESSAVG: 1191000 6.37208 -17.7436 18.7097 -17.7436 5.4541 2.31308 18.7098 2.31305 -10.8125 GPRESSAVG: 1191000 6.58691 -18.7303 19.8156 -15.9633 4.85572 0.652519 17.613 4.66003 -10.2763 TIMING: 1191000 CPU: 3832.53, 0.00319685/step Wall: 3832.53, 0.00319685/step, 3.38244 hours remaining, 231.992188 MB of memory in use. ENERGY: 1191000 3963.8694 20560.5451 14520.8950 230.4967 -203370.1736 2374.3783 0.0000 0.0000 52069.6382 -109650.3508 299.2449 -161719.9890 -109295.9978 298.9762 -156.6891 -123.8503 759403.2267 0.3379 0.3888 PRESSURE: 1191200 181.295 -30.58 2.46934 -30.5809 84.674 263.315 2.46972 263.316 309.152 GPRESSURE: 1191200 182.197 -93.2769 55.8049 -48.2326 153.558 213.524 -102.542 283.748 318.506 PRESSAVG: 1191200 -14.8617 6.27743 -29.8953 6.27735 15.8387 -12.1564 -29.8953 -12.1564 3.26769 GPRESSAVG: 1191200 -15.1644 4.42516 -29.8059 6.79037 16.7115 -13.8111 -29.4574 -14.0599 2.42484 TIMING: 1191200 CPU: 3833.17, 0.00319681/step Wall: 3833.17, 0.00319681/step, 3.38222 hours remaining, 231.992188 MB of memory in use. ENERGY: 1191200 3972.8985 20526.6607 14497.2387 234.6254 -203572.0096 2545.1825 0.0000 0.0000 52046.9046 -109748.4992 299.1143 -161795.4038 -109399.1309 298.7951 191.7071 218.0868 758670.2780 1.4149 1.3240 PRESSURE: 1191400 -9.78103 102.059 -177.639 102.059 49.4735 22.521 -177.639 22.5205 82.0074 GPRESSURE: 1191400 -107.656 -17.4638 -132.022 74.6223 219.63 -62.9904 -203.843 -73.0115 95.907 PRESSAVG: 1191400 -16.4358 -1.39838 -10.0638 -1.39837 27.7524 -15.9053 -10.0638 -15.9052 -24.3753 GPRESSAVG: 1191400 -16.9372 -1.16285 -12.1717 -1.876 27.5259 -13.7002 -6.84966 -14.9146 -23.8027 TIMING: 1191400 CPU: 3833.8, 0.00317833/step Wall: 3833.8, 0.00317834/step, 3.3625 hours remaining, 231.992188 MB of memory in use. ENERGY: 1191400 4076.5604 20567.6707 14537.0693 252.6893 -203668.5111 2775.3265 0.0000 0.0000 51784.5840 -109674.6109 297.6067 -161459.1949 -109321.5823 298.6051 40.5666 69.2935 758784.8764 -4.3529 -4.4046 PRESSURE: 1191600 76.8813 -41.6751 -44.4206 -41.6746 347.49 -288.981 -44.4201 -288.98 314.011 GPRESSURE: 1191600 227.394 -6.95107 -102.345 -129.765 288.335 -258.445 41.508 -314.877 288.531 PRESSAVG: 1191600 -59.6014 -18.2961 -38.2206 -18.2961 52.5717 -40.3476 -38.2205 -40.3475 -1.54665 GPRESSAVG: 1191600 -60.4035 -16.6771 -36.5691 -18.7962 55.0274 -40.4191 -41.3877 -40.7898 -2.4691 TIMING: 1191600 CPU: 3834.44, 0.00320034/step Wall: 3834.44, 0.00320034/step, 3.3856 hours remaining, 231.992188 MB of memory in use. ENERGY: 1191600 3994.0156 20657.7831 14528.8477 243.5364 -203336.7929 2501.0702 0.0000 0.0000 51941.6367 -109469.9030 298.5093 -161411.5397 -109107.2929 299.1140 246.1272 268.0864 760280.2887 -2.8588 -2.6151 PRESSURE: 1191800 -105.787 22.1688 48.442 22.168 43.2494 -128.925 48.4422 -128.925 -213.978 GPRESSURE: 1191800 -82.8889 -46.3584 47.6349 40.0039 74.0924 -74.9328 113.693 -195.628 -195.862 PRESSAVG: 1191800 40.9169 17.4296 -6.00067 17.4296 11.2916 15.6434 -6.0006 15.6434 19.787 GPRESSAVG: 1191800 41.1963 17.4016 -5.50494 16.7181 9.86145 14.3143 -4.30036 14.7445 19.8948 TIMING: 1191800 CPU: 3835.08, 0.00317472/step Wall: 3835.08, 0.00317472/step, 3.35833 hours remaining, 231.992188 MB of memory in use. ENERGY: 1191800 4012.8784 20531.5204 14502.2103 258.3812 -203419.6763 2627.8990 0.0000 0.0000 52059.9997 -109426.7873 299.1895 -161486.7870 -109055.6764 299.1818 -92.1720 -68.2194 761049.0711 23.9985 23.6508 PRESSURE: 1192000 197.295 -132.941 55.0607 -132.941 -77.7436 -298.189 55.0606 -298.188 81.7794 GPRESSURE: 1192000 206.523 -3.68242 26.7821 -99.1671 12.3071 -244.18 61.4016 -375.536 88.6166 PRESSAVG: 1192000 -0.923835 -45.8743 35.8376 -45.8743 -39.8465 4.06918 35.8377 4.06916 10.4656 GPRESSAVG: 1192000 -1.69524 -45.6737 34.1885 -44.3077 -39.6526 6.19169 37.2083 4.24215 11.2672 TIMING: 1192000 CPU: 3835.71, 0.0031448/step Wall: 3835.71, 0.0031448/step, 3.3265 hours remaining, 231.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1192000 3971.0871 20618.2815 14503.4477 263.6629 -203242.2181 2444.7864 0.0000 0.0000 51984.2983 -109456.6541 298.7545 -161440.9525 -109094.1684 299.3025 67.1102 102.4823 759011.8093 -10.1016 -10.0269 PRESSURE: 1192200 -356.381 -54.9628 219.491 -54.9622 -132.464 -28.1779 219.49 -28.1782 30.5706 GPRESSURE: 1192200 -288.928 -163.243 190.753 -90.0887 -114.479 -21.7488 253.406 -64.1095 38.8966 PRESSAVG: 1192200 -49.172 -31.8249 39.4769 -31.8249 15.3137 3.64113 39.4769 3.64114 -5.57113 GPRESSAVG: 1192200 -47.9713 -32.0833 39.2362 -33.3944 15.8387 2.32422 37.9705 5.61288 -7.38661 TIMING: 1192200 CPU: 3836.34, 0.00315231/step Wall: 3836.34, 0.00315231/step, 3.33426 hours remaining, 231.992188 MB of memory in use. ENERGY: 1192200 3943.8568 20607.2134 14518.5150 253.8841 -203200.6526 2379.6051 0.0000 0.0000 52245.9705 -109251.6077 300.2583 -161497.5782 -108887.0516 299.5022 -152.7581 -121.5037 760067.4771 -13.1431 -13.1731 LDB: ============= START OF LOAD BALANCING ============== 3848.76 LDB: ============== END OF LOAD BALANCING =============== 3848.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3848.76 LDB: ============= START OF LOAD BALANCING ============== 3849.08 LDB: Largest compute 7034 load 0.034454 is 17.7% of average load 0.195168 LDB: Average compute 0.004402 is 2.3% of average load 0.195168 LDB: TIME 3849.08 LOAD: AVG 0.195168 MAX 0.217802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.855 MB LDB: TIME 3849.08 LOAD: AVG 0.195168 MAX 0.217802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.953 MB LDB: TIME 3849.08 LOAD: AVG 0.195168 MAX 0.217802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.953 MB LDB: ============== END OF LOAD BALANCING =============== 3849.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3849.09 PRESSURE: 1192400 223.465 -334.504 86.0514 -334.504 -71.1015 37.167 86.0512 37.1674 -43.0405 GPRESSURE: 1192400 192.722 -221.893 99.2099 -244.813 -25.8411 67.6515 -31.7623 2.87475 20.4097 PRESSAVG: 1192400 -34.1442 -43.1476 11.0263 -43.1476 64.1338 -5.59745 11.0263 -5.59751 -3.75945 GPRESSAVG: 1192400 -34.2663 -43.2323 11.8071 -42.0773 63.3528 -6.74067 9.35251 -5.60409 -2.71359 TIMING: 1192400 CPU: 3836.98, 0.00322436/step Wall: 3836.98, 0.00322436/step, 3.4103 hours remaining, 230.824219 MB of memory in use. ENERGY: 1192400 3952.5013 20682.4038 14432.1957 250.4877 -203372.9578 2474.0727 0.0000 0.0000 52124.6307 -109456.6659 299.5610 -161581.2966 -109099.1297 300.0486 36.4409 62.4301 760035.0291 8.7434 8.7910 PRESSURE: 1192600 -61.5443 -24.9329 -202.044 -24.9332 -103.935 84.5292 -202.044 84.5286 -261.442 GPRESSURE: 1192600 -39.7086 29.1278 -275.986 26.9997 -72.5882 130.702 -197.639 -20.2011 -232.581 PRESSAVG: 1192600 30.6038 -24.9024 12.1395 -24.9024 27.7225 2.03589 12.1394 2.03592 -7.91857 GPRESSAVG: 1192600 28.9808 -22.4237 12.1777 -24.8309 28.6007 3.52757 13.1885 -0.140283 -6.58177 TIMING: 1192600 CPU: 3837.62, 0.00319466/step Wall: 3837.62, 0.00319466/step, 3.37871 hours remaining, 230.824219 MB of memory in use. ENERGY: 1192600 4049.7638 20519.1352 14504.3448 245.6670 -203531.0337 2630.5524 0.0000 0.0000 52139.2883 -109442.2823 299.6452 -161581.5706 -109079.4483 299.3659 -142.3069 -114.9594 759409.5978 16.8026 16.9999 PRESSURE: 1192800 128.695 -144.495 22.4409 -144.495 469.054 55.6089 22.4409 55.6096 606.993 GPRESSURE: 1192800 104.034 -219.43 77.4812 -195.468 573.856 48.4049 32.3964 29.0766 622.112 PRESSAVG: 1192800 -41.8468 -45.9373 61.6747 -45.9374 69.564 -29.6723 61.6747 -29.6722 2.72712 GPRESSAVG: 1192800 -42.1092 -49.6825 61.2854 -47.6526 70.4912 -31.4665 63.1435 -27.7543 2.23189 TIMING: 1192800 CPU: 3838.25, 0.00313025/step Wall: 3838.25, 0.00313025/step, 3.31041 hours remaining, 230.824219 MB of memory in use. ENERGY: 1192800 3951.3660 20483.5120 14482.6529 242.0065 -203746.0076 2904.0002 0.0000 0.0000 52099.1992 -109583.2709 299.4148 -161682.4701 -109223.0243 299.1772 401.5808 433.3337 759501.8524 10.1481 10.2046 PRESSURE: 1193000 -195.461 -93.6355 -70.8494 -93.6353 5.43674 -22.9848 -70.8493 -22.9852 -153.926 GPRESSURE: 1193000 -190.667 -48.5839 -36.3499 -148.934 80.5576 -23.0312 7.11121 54.4029 -139.76 PRESSAVG: 1193000 -53.4259 -33.8158 -28.5109 -33.8158 93.7747 -18.1014 -28.5109 -18.1015 19.2508 GPRESSAVG: 1193000 -51.789 -33.3454 -27.9149 -32.9846 92.2832 -17.9919 -28.1207 -15.9551 19.185 TIMING: 1193000 CPU: 3838.88, 0.00313598/step Wall: 3838.88, 0.00313598/step, 3.3163 hours remaining, 230.824219 MB of memory in use. ENERGY: 1193000 3987.6273 20375.5629 14390.8580 249.0566 -203184.1219 2199.8073 0.0000 0.0000 52318.7586 -109662.4513 300.6766 -161981.2099 -109296.7249 298.6839 -114.6501 -83.2897 758807.0659 19.8665 19.8931 PRESSURE: 1193200 -263.244 249.663 -24.2991 249.663 198.658 102.397 -24.2997 102.396 -112.58 GPRESSURE: 1193200 -259.965 254.552 -34.8551 220.095 240.075 104.008 21.6769 19.6662 -66.9729 PRESSAVG: 1193200 -33.739 2.35764 -35.2348 2.35759 8.35081 -46.6908 -35.2348 -46.6908 -25.6296 GPRESSAVG: 1193200 -34.4 2.87356 -37.1465 2.71004 8.97732 -46.2413 -34.8896 -47.9303 -25.9852 TIMING: 1193200 CPU: 3839.5, 0.00312558/step Wall: 3839.5, 0.00312558/step, 3.30513 hours remaining, 230.824219 MB of memory in use. ENERGY: 1193200 4027.5602 20602.4900 14456.9283 268.0279 -203451.8119 2522.6880 0.0000 0.0000 52064.5884 -109509.5292 299.2159 -161574.1176 -109156.0113 299.0225 -59.0553 -28.9545 759890.4296 -17.0059 -17.1360 PRESSURE: 1193400 360.605 -115.654 47.5434 -115.654 -104.734 -5.01091 47.5427 -5.01064 344.962 GPRESSURE: 1193400 297.91 -170.649 16.0885 -109.15 -30.1841 76.8602 142.926 -68.4271 427.793 PRESSAVG: 1193400 -62.0624 -83.5067 31.7876 -83.5067 44.1954 -2.37893 31.7876 -2.37901 8.88234 GPRESSAVG: 1193400 -62.1743 -85.1855 33.8216 -83.1683 43.0481 -0.86296 31.6468 -4.86716 9.74315 TIMING: 1193400 CPU: 3840.13, 0.00313145/step Wall: 3840.13, 0.00313145/step, 3.31116 hours remaining, 230.824219 MB of memory in use. ENERGY: 1193400 4000.9854 20591.8494 14441.8811 247.9356 -203650.7624 2774.5176 0.0000 0.0000 51857.5230 -109736.0703 298.0259 -161593.5933 -109389.2174 299.1624 200.2777 231.8396 759865.7211 -2.9949 -3.1277 PRESSURE: 1193600 -114.759 28.4453 71.8289 28.4447 -54.7639 11.4759 71.8286 11.477 -297.908 GPRESSURE: 1193600 -150.57 50.6754 87.181 125.57 35.7018 60.8882 110.678 27.5021 -280.471 PRESSAVG: 1193600 -48.6195 -36.6748 -10.1168 -36.6749 90.4398 -45.2915 -10.1168 -45.2915 -5.28126 GPRESSAVG: 1193600 -48.0422 -36.5926 -8.66361 -35.3755 90.8406 -44.7834 -12.0683 -45.1101 -6.03005 TIMING: 1193600 CPU: 3840.76, 0.00315442/step Wall: 3840.76, 0.00315442/step, 3.33527 hours remaining, 230.824219 MB of memory in use. ENERGY: 1193600 3984.4158 20554.8738 14454.6155 260.4311 -203265.5861 2352.2337 0.0000 0.0000 51925.7557 -109733.2605 298.4180 -161659.0162 -109382.8853 298.8989 -155.8104 -131.7800 760016.3344 12.1797 12.2561 PRESSURE: 1193800 -525.421 -31.8705 119.551 -31.8703 -3.84814 -98.3016 119.55 -98.3003 -217.186 GPRESSURE: 1193800 -522.951 -59.9819 99.7352 -0.597294 60.6448 -30.7441 82.0727 -94.6901 -211.963 PRESSAVG: 1193800 -36.178 -36.4616 53.4961 -36.4615 26.6898 -47.7397 53.4961 -47.7397 -1.28993 GPRESSAVG: 1193800 -37.488 -36.2981 51.8447 -37.4922 25.8923 -46.9046 54.5943 -48.2188 0.500189 TIMING: 1193800 CPU: 3841.39, 0.00315978/step Wall: 3841.39, 0.00315979/step, 3.34077 hours remaining, 230.824219 MB of memory in use. ENERGY: 1193800 4050.9821 20591.8572 14454.3713 246.3545 -203483.9602 2287.3994 0.0000 0.0000 51781.1950 -110071.8007 297.5872 -161852.9957 -109704.2939 297.9336 -248.8185 -224.7564 760300.2752 -3.5927 -3.6985 PRESSURE: 1194000 318.216 -154.312 153.247 -154.312 -92.1579 177.301 153.247 177.3 539.926 GPRESSURE: 1194000 238.215 -156.557 68.1633 -198.557 72.1845 140.204 212.644 165.523 538.014 PRESSAVG: 1194000 -11.391 -35.5096 36.2324 -35.5096 43.5109 10.8591 36.2324 10.8591 1.91755 GPRESSAVG: 1194000 -11.2273 -35.3721 35.7706 -35.8351 44.3717 8.73302 36.7416 10.708 0.422928 TIMING: 1194000 CPU: 3842.03, 0.00318583/step Wall: 3842.03, 0.00318583/step, 3.36814 hours remaining, 230.824219 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: 1194000 3907.9809 20369.4045 14419.3297 233.6353 -203490.0221 2525.6468 0.0000 0.0000 51987.6420 -110046.3830 298.7737 -162034.0250 -109686.1638 298.0633 255.3282 282.8046 758636.0310 11.3458 11.1891 PRESSURE: 1194200 75.6191 84.4955 28.1166 84.4963 -7.74567 140.144 28.1172 140.144 23.8376 GPRESSURE: 1194200 64.3926 115.335 34.0963 55.8674 16.2338 91.4772 -39.8732 177.799 102.403 PRESSAVG: 1194200 48.7392 -79.5901 27.3648 -79.5901 -26.0543 -38.6847 27.3648 -38.6846 21.719 GPRESSAVG: 1194200 48.358 -80.5275 26.4178 -78.6253 -25.7092 -38.0778 27.8018 -36.1393 21.9321 TIMING: 1194200 CPU: 3842.67, 0.00318923/step Wall: 3842.67, 0.00318923/step, 3.37155 hours remaining, 230.824219 MB of memory in use. ENERGY: 1194200 3960.1854 20483.4978 14500.7995 264.3751 -203658.2520 2647.7511 0.0000 0.0000 51799.5339 -110002.1093 297.6926 -161801.6432 -109638.7065 297.6702 30.5703 61.0097 759477.1950 14.8013 14.8603 PRESSURE: 1194400 -9.74426 -109.676 -20.1332 -109.676 -175.498 -158.303 -20.1339 -158.302 -170.62 GPRESSURE: 1194400 4.00285 -40.8724 135.077 -222.552 -181.445 -179.779 -3.54649 -239.169 -82.5231 PRESSAVG: 1194400 -1.02719 -57.0803 -26.5454 -57.0803 -4.99474 -60.1219 -26.5454 -60.1218 5.76012 GPRESSAVG: 1194400 0.579663 -55.4479 -25.7357 -60.0653 -5.44329 -60.4446 -28.2917 -60.9887 5.34154 TIMING: 1194400 CPU: 3843.3, 0.00317293/step Wall: 3843.3, 0.00317293/step, 3.35414 hours remaining, 230.824219 MB of memory in use. ENERGY: 1194400 4055.4136 20501.7945 14467.7998 263.8457 -203818.5137 2652.8753 0.0000 0.0000 52214.4705 -109662.3143 300.0773 -161876.7848 -109300.8906 298.4611 -118.6208 -86.6550 759896.0807 -0.0873 0.1593 PRESSURE: 1194600 95.3476 38.2708 -327.498 38.2705 -304.46 -165.989 -327.498 -165.99 5.36083 GPRESSURE: 1194600 43.0201 -64.6357 -407.364 40.5807 -230.598 -97.8013 -203.142 -230.515 49.42 PRESSAVG: 1194600 31.7637 -60.8244 -1.44707 -60.8245 -13.3495 -10.8772 -1.4471 -10.8772 -38.665 GPRESSAVG: 1194600 30.8781 -61.4367 -1.21439 -59.482 -12.5845 -11.5468 -0.487898 -13.5889 -38.6155 TIMING: 1194600 CPU: 3843.93, 0.0031495/step Wall: 3843.93, 0.0031495/step, 3.32919 hours remaining, 230.824219 MB of memory in use. ENERGY: 1194600 3982.4483 20650.0830 14550.4770 256.0671 -203634.8959 2587.7742 0.0000 0.0000 52147.3040 -109460.7423 299.6913 -161608.0463 -109097.1731 298.7711 -67.9171 -46.0527 761595.7624 -6.7503 -6.7740 PRESSURE: 1194800 -281.058 -101.642 -9.75233 -101.643 -329.083 -192.778 -9.75213 -192.778 -135.167 GPRESSURE: 1194800 -173.6 47.1818 22.442 -105.366 -353.326 -187.523 -21.963 -162.054 -146.419 PRESSAVG: 1194800 59.1376 -53.51 -1.30172 -53.51 -58.3658 23.6761 -1.3017 23.676 -18.848 GPRESSAVG: 1194800 59.9699 -54.0504 -1.16898 -53.8605 -58.3944 24.0986 -0.632482 24.4817 -19.5911 TIMING: 1194800 CPU: 3844.56, 0.00314837/step Wall: 3844.56, 0.00314837/step, 3.32783 hours remaining, 230.824219 MB of memory in use. ENERGY: 1194800 4082.5038 20597.4973 14535.2042 260.4861 -203557.4910 2539.1159 0.0000 0.0000 52265.0110 -109277.6728 300.3677 -161542.6838 -108908.4455 300.1036 -248.4362 -224.4482 761797.5332 -6.0254 -6.0052 PRESSURE: 1195000 116.241 -233.146 -61.744 -233.147 25.6768 95.4012 -61.744 95.4018 -210.557 GPRESSURE: 1195000 212.313 -173.12 -74.2572 -234.421 -65.1896 159.337 -91.1957 119.12 -148.613 PRESSAVG: 1195000 1.78017 -51.2819 9.90336 -51.2818 -12.9252 -12.792 9.9033 -12.7919 23.3245 GPRESSAVG: 1195000 2.45516 -51.6955 10.2451 -51.3261 -13.7402 -13.2654 8.81641 -12.9851 23.2024 TIMING: 1195000 CPU: 3845.19, 0.00316617/step Wall: 3845.19, 0.00316617/step, 3.34647 hours remaining, 230.824219 MB of memory in use. ENERGY: 1195000 4007.0325 20655.6886 14532.2763 246.3227 -203468.4164 2641.1332 0.0000 0.0000 52128.8167 -109257.1463 299.5850 -161385.9630 -108899.7825 300.0916 -22.8797 -0.4965 762027.9373 4.0598 3.9725 PRESSURE: 1195200 -246.331 -92.6417 117.365 -92.6422 -232.763 20.1855 117.365 20.1846 -162.004 GPRESSURE: 1195200 -185.221 -147.148 35.2247 -30.2932 -238.891 -16.7565 79.9972 116.431 -123.108 PRESSAVG: 1195200 49.1093 -65.3031 11.7846 -65.3031 -41.3767 -37.2225 11.7846 -37.2224 1.0911 GPRESSAVG: 1195200 49.9018 -64.2506 10.8817 -65.2724 -41.2227 -35.9911 11.7154 -37.6465 0.648103 TIMING: 1195200 CPU: 3845.83, 0.00317461/step Wall: 3845.83, 0.00317461/step, 3.35521 hours remaining, 230.824219 MB of memory in use. ENERGY: 1195200 3992.0667 20615.0266 14489.9800 243.5667 -203138.4254 2486.8050 0.0000 0.0000 52015.7583 -109295.2220 298.9353 -161310.9803 -108938.2197 299.4686 -213.6997 -182.4065 761223.4301 2.9412 3.1091 PRESSURE: 1195400 -77.9264 126.839 213.184 126.839 13.8712 -290.523 213.184 -290.524 49.706 GPRESSURE: 1195400 -20.8877 96.0307 256.355 -29.3818 -20.2283 -144.548 233.798 -194.188 107.205 PRESSAVG: 1195400 35.9976 -73.7956 8.42841 -73.7957 -28.1649 -17.685 8.42836 -17.6849 8.61508 GPRESSAVG: 1195400 34.224 -73.8219 9.75016 -75.0066 -27.7439 -17.714 8.15813 -16.8396 10.1214 TIMING: 1195400 CPU: 3846.46, 0.00318404/step Wall: 3846.46, 0.00318405/step, 3.36501 hours remaining, 230.824219 MB of memory in use. ENERGY: 1195400 3982.9579 20584.0977 14533.0911 238.1665 -203543.1932 2597.2845 0.0000 0.0000 52267.4510 -109340.1445 300.3818 -161607.5955 -108983.1446 299.6733 -4.7831 22.0296 761152.4455 5.4826 5.5339 PRESSURE: 1195600 -250.72 -227.679 -50.5504 -227.679 358.003 253.29 -50.5508 253.291 -247.531 GPRESSURE: 1195600 -114.268 -176.139 -59.2627 -163.922 341.941 192.365 -30.3329 194.657 -286.816 PRESSAVG: 1195600 -5.09404 -53.5133 -24.8998 -53.5134 -20.5336 -57.1114 -24.8998 -57.1115 6.47237 GPRESSAVG: 1195600 -3.64422 -54.4746 -25.3485 -49.9297 -19.915 -57.6968 -22.5756 -58.892 4.28951 TIMING: 1195600 CPU: 3847.1, 0.00316545/step Wall: 3847.1, 0.00316545/step, 3.34518 hours remaining, 230.824219 MB of memory in use. ENERGY: 1195600 3979.8224 20585.9339 14489.8189 241.5865 -203270.2943 2517.8406 0.0000 0.0000 52077.8422 -109377.4499 299.2921 -161455.2921 -109014.0944 299.6842 -46.7494 -19.7146 762984.4876 -6.3851 -6.4232 PRESSURE: 1195800 -199.122 -224.312 -7.05039 -224.313 -152.599 157.258 -7.05058 157.257 -275.389 GPRESSURE: 1195800 -169.45 -276.888 -70.7341 -150.188 -120.033 220.118 -4.83608 136.041 -247.586 PRESSAVG: 1195800 -15.4112 -18.9932 28.7196 -18.9931 14.0517 -21.5018 28.7196 -21.5019 33.2308 GPRESSAVG: 1195800 -17.1241 -18.641 28.8015 -18.3832 14.8792 -21.4007 26.8219 -19.0047 34.3019 TIMING: 1195800 CPU: 3847.74, 0.00318602/step Wall: 3847.74, 0.00318602/step, 3.36674 hours remaining, 230.824219 MB of memory in use. ENERGY: 1195800 4045.8793 20466.0157 14501.7557 272.3453 -203009.6703 2365.4575 0.0000 0.0000 52312.0628 -109046.1539 300.6381 -161358.2167 -108675.5864 299.8906 -209.0368 -179.0229 760839.2466 10.6238 10.6857 PRESSURE: 1196000 -89.0026 90.8095 62.5396 90.8092 179.681 31.4148 62.5397 31.4149 237.215 GPRESSURE: 1196000 16.2852 4.84673 74.8987 51.3796 152.653 16.2798 -37.1704 95.8059 235.626 PRESSAVG: 1196000 16.1723 19.5772 42.5687 19.5772 -14.3126 40.2345 42.5687 40.2345 8.90938 GPRESSAVG: 1196000 17.292 20.5834 42.4949 15.7685 -15.2379 40.2291 44.2707 39.9288 9.53005 TIMING: 1196000 CPU: 3848.37, 0.00316462/step Wall: 3848.37, 0.00316462/step, 3.34395 hours remaining, 230.824219 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: 1196000 3982.8274 20591.7316 14485.1538 251.7541 -203050.3300 2574.2523 0.0000 0.0000 52266.8055 -108897.8052 300.3780 -161164.6107 -108537.4432 300.4397 109.2977 134.8549 760680.8292 3.5897 3.8614 PRESSURE: 1196200 -13.8167 -111.241 -62.5823 -111.241 -306.502 252.18 -62.5827 252.18 -175.748 GPRESSURE: 1196200 -5.03861 -36.8313 -98.2026 -128.413 -223.566 146.196 5.7644 315.332 -171.772 PRESSAVG: 1196200 8.99332 -35.9974 -26.9758 -35.9974 17.5625 21.7136 -26.9757 21.7137 7.76857 GPRESSAVG: 1196200 8.21196 -35.9681 -26.8047 -33.7335 18.2862 22.7076 -27.5476 21.2009 8.20096 TIMING: 1196200 CPU: 3849, 0.0031645/step Wall: 3849, 0.0031645/step, 3.34365 hours remaining, 230.824219 MB of memory in use. ENERGY: 1196200 4065.8571 20651.8736 14455.8948 241.8465 -202903.6732 2471.6088 0.0000 0.0000 52042.1739 -108974.4187 299.0871 -161016.5926 -108617.4549 300.4145 -165.3555 -133.4587 761355.2682 11.4415 11.5664 LDB: ============= START OF LOAD BALANCING ============== 3861.42 LDB: ============== END OF LOAD BALANCING =============== 3861.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3861.42 LDB: ============= START OF LOAD BALANCING ============== 3861.74 LDB: Largest compute 7031 load 0.034546 is 17.7% of average load 0.195105 LDB: Average compute 0.004407 is 2.3% of average load 0.195105 LDB: TIME 3861.74 LOAD: AVG 0.195105 MAX 0.214612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.594 MB LDB: TIME 3861.74 LOAD: AVG 0.195105 MAX 0.214612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.598 MB LDB: TIME 3861.74 LOAD: AVG 0.195105 MAX 0.214612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.598 MB LDB: ============== END OF LOAD BALANCING =============== 3861.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3861.75 PRESSURE: 1196400 -248.306 60.4683 -36.1005 60.4674 -639.991 -165.755 -36.1009 -165.756 -201.741 GPRESSURE: 1196400 -221.5 -2.16643 -57.9074 62.0282 -513.614 -215.999 -55.2803 -187.411 -264.627 PRESSAVG: 1196400 13.5823 -34.7686 -6.40216 -34.7686 -15.9885 34.8696 -6.40214 34.8695 31.7059 GPRESSAVG: 1196400 12.0054 -35.2231 -5.72415 -35.7923 -16.0227 33.9129 -8.9636 35.4087 32.4432 TIMING: 1196400 CPU: 3849.65, 0.00322095/step Wall: 3849.65, 0.00322095/step, 3.40311 hours remaining, 233.136719 MB of memory in use. ENERGY: 1196400 3973.4476 20492.4975 14479.1474 247.9716 -202543.0944 2143.3750 0.0000 0.0000 52151.5997 -109055.0556 299.7160 -161206.6553 -108683.1781 300.3846 -363.3462 -333.2471 762181.0725 9.7665 9.4753 PRESSURE: 1196600 7.74739 -183.984 -0.0357268 -183.984 73.0342 -59.4112 -0.0348592 -59.4125 164.03 GPRESSURE: 1196600 51.8887 20.9789 -73.0461 -242.269 74.7806 8.2637 -46.8015 -98.3649 224.871 PRESSAVG: 1196600 -29.2367 -29.6692 -7.23622 -29.6692 -7.64834 2.63679 -7.2362 2.63668 -10.6835 GPRESSAVG: 1196600 -27.767 -29.1194 -8.24178 -29.1419 -7.83766 2.62314 -6.60635 3.71775 -11.2237 TIMING: 1196600 CPU: 3850.28, 0.00315808/step Wall: 3850.28, 0.00315808/step, 3.33651 hours remaining, 233.464844 MB of memory in use. ENERGY: 1196600 4011.4771 20497.8602 14447.7542 232.6008 -202981.1416 2566.4556 0.0000 0.0000 52303.8670 -108921.1268 300.5910 -161224.9937 -108546.0775 300.0811 81.6037 117.1800 761964.7476 -15.8562 -15.6094 PRESSURE: 1196800 -53.0601 -92.7451 -31.5498 -92.7444 -229.621 239.575 -31.55 239.575 134.58 GPRESSURE: 1196800 -32.8071 -24.4354 9.91491 -36.8866 -154.652 187.51 -28.0451 166.439 118.011 PRESSAVG: 1196800 -22.2259 -21.1271 42.1832 -21.127 11.9998 22.6412 42.1832 22.6411 5.56094 GPRESSAVG: 1196800 -23.5307 -19.7916 44.0356 -22.4914 12.9125 21.736 42.4675 20.875 5.94736 TIMING: 1196800 CPU: 3850.91, 0.00314172/step Wall: 3850.91, 0.00314172/step, 3.31905 hours remaining, 233.464844 MB of memory in use. ENERGY: 1196800 4046.0362 20473.8705 14483.0230 256.2950 -203129.8694 2485.7465 0.0000 0.0000 52267.1382 -109117.7599 300.3800 -161384.8981 -108749.6002 300.3031 -49.3671 -23.1493 763244.9323 -1.5551 -1.5569 PRESSURE: 1197000 -143.902 -189.126 72.7331 -189.126 94.2719 -61.1055 72.7326 -61.1067 -87.5267 GPRESSURE: 1197000 -83.4901 -109.863 76.5901 -215.666 110.429 12.4776 76.8857 -113.336 -64.5249 PRESSAVG: 1197000 18.1425 -66.2998 36.9824 -66.2998 14.4939 25.6434 36.9824 25.6433 -0.217453 GPRESSAVG: 1197000 19.4513 -69.0134 35.482 -65.9298 13.5607 28.8759 37.8451 25.9962 0.0155034 TIMING: 1197000 CPU: 3851.53, 0.00314939/step Wall: 3851.53, 0.00314939/step, 3.32698 hours remaining, 233.464844 MB of memory in use. ENERGY: 1197000 4035.8281 20416.7118 14518.0909 223.8971 -203258.6803 2914.3291 0.0000 0.0000 51750.9013 -109398.9219 297.4131 -161149.8232 -109035.6676 299.6210 -45.7189 -12.5287 762881.7912 10.8063 11.0091 PRESSURE: 1197200 -42.2336 -19.3388 2.92467 -19.3387 152.588 -96.7775 2.92435 -96.7766 113.317 GPRESSURE: 1197200 10.1843 11.2873 7.04439 -30.2554 162.287 -110.573 -48.648 32.3993 142.452 PRESSAVG: 1197200 -21.5827 -21.8213 23.3705 -21.8214 7.06274 53.1238 23.3705 53.1238 28.834 GPRESSAVG: 1197200 -21.8925 -18.9192 23.07 -21.2549 7.79371 49.5719 22.7177 54.3082 28.379 TIMING: 1197200 CPU: 3852.17, 0.00315721/step Wall: 3852.17, 0.00315721/step, 3.33506 hours remaining, 233.464844 MB of memory in use. ENERGY: 1197200 3956.7477 20429.7330 14474.4444 245.7468 -203590.0516 2847.9188 0.0000 0.0000 52083.5953 -109551.8656 299.3251 -161635.4609 -109192.6036 298.8074 74.5570 104.9745 761020.3408 4.7713 4.7601 PRESSURE: 1197400 -152.461 30.6483 -490.842 30.648 -253.271 -144.962 -490.843 -144.962 -41.2332 GPRESSURE: 1197400 -211.087 13.6454 -514.357 69.361 -144.592 -146.377 -484.885 -59.3311 -12.1888 PRESSAVG: 1197400 38.6426 11.0006 -16.8163 11.0007 -19.5428 4.99345 -16.8163 4.99355 9.7858 GPRESSAVG: 1197400 37.248 9.59465 -17.6613 12.2837 -18.8631 6.11112 -14.8551 2.53342 10.4808 TIMING: 1197400 CPU: 3852.8, 0.003145/step Wall: 3852.8, 0.003145/step, 3.322 hours remaining, 233.535156 MB of memory in use. ENERGY: 1197400 3968.0367 20485.7248 14543.3864 238.3807 -203354.4731 2591.4680 0.0000 0.0000 52048.6787 -109478.7978 299.1245 -161527.4765 -109118.5445 298.7933 -148.9883 -122.6227 760285.5379 9.6285 9.6219 PRESSURE: 1197600 -156.606 210.789 -115.395 210.789 -152.012 100.926 -115.395 100.927 22.0485 GPRESSURE: 1197600 -107.78 180.491 -106.72 137.445 -122.12 76.7955 11.6989 65.4434 0.577509 PRESSAVG: 1197600 41.478 32.7435 -32.8479 32.7435 -68.6327 31.8519 -32.8479 31.8519 -12.9471 GPRESSAVG: 1197600 43.0534 31.8058 -30.9456 33.9039 -69.0505 31.6071 -32.675 33.0859 -13.9809 TIMING: 1197600 CPU: 3853.42, 0.00312843/step Wall: 3853.42, 0.00312843/step, 3.30432 hours remaining, 233.535156 MB of memory in use. ENERGY: 1197600 4064.4235 20424.4161 14496.5887 238.6740 -203234.2133 2584.6336 0.0000 0.0000 52070.8745 -109354.6029 299.2520 -161425.4774 -108996.2967 299.3432 -95.5233 -76.4409 761717.0473 -13.3673 -13.3260 PRESSURE: 1197800 161.634 38.9711 -29.7596 38.9709 -279.573 146.551 -29.7594 146.552 94.6279 GPRESSURE: 1197800 77.4908 75.4577 -40.184 -4.62181 -156.134 107.854 -0.258923 196.68 154.924 PRESSAVG: 1197800 62.4362 18.6407 39.0697 18.6407 -24.9537 27.6079 39.0697 27.6079 9.03508 GPRESSAVG: 1197800 60.3559 20.9658 38.0256 16.4152 -22.777 28.3797 38.6525 27.2446 9.34086 TIMING: 1197800 CPU: 3854.05, 0.0031525/step Wall: 3854.05, 0.0031525/step, 3.32956 hours remaining, 233.535156 MB of memory in use. ENERGY: 1197800 3962.0811 20541.6651 14420.2266 264.4486 -203303.3365 2528.8914 0.0000 0.0000 52137.6507 -109448.3731 299.6358 -161586.0238 -109089.1391 299.4561 -7.7704 25.4271 760396.8335 15.5059 15.6399 PRESSURE: 1198000 -227.996 162.848 -152.826 162.849 1.54088 -258.171 -152.826 -258.171 -285.914 GPRESSURE: 1198000 -233.091 107.394 -141.39 212.728 -10.5438 -387.974 -98.3947 -119.143 -178.553 PRESSAVG: 1198000 -18.7632 -24.8729 -7.10194 -24.8729 -69.7409 -13.6595 -7.10194 -13.6595 28.3273 GPRESSAVG: 1198000 -16.2361 -27.0676 -5.31974 -22.8485 -72.6695 -13.7886 -7.87947 -11.4523 28.5461 TIMING: 1198000 CPU: 3854.68, 0.00315615/step Wall: 3854.68, 0.00315615/step, 3.33324 hours remaining, 233.535156 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: 1198000 3972.7781 20519.1486 14485.6599 233.0243 -203157.5455 2378.3956 0.0000 0.0000 52187.9141 -109380.6249 299.9247 -161568.5390 -109024.7697 299.4837 -170.7896 -140.7293 760802.2325 -20.0589 -20.1199 PRESSURE: 1198200 -240.301 47.157 47.9741 47.1577 -460.19 15.7622 47.9742 15.7629 127.128 GPRESSURE: 1198200 -234.9 80.7796 -42.3586 107.909 -333.439 -15.4462 49.5141 9.20814 95.5831 PRESSAVG: 1198200 46.9442 -11.0476 -14.9197 -11.0476 -40.3363 -13.9012 -14.9197 -13.9011 -10.6221 GPRESSAVG: 1198200 47.2855 -11.0927 -16.3064 -11.2932 -39.5067 -12.3922 -15.713 -17.5798 -11.4484 TIMING: 1198200 CPU: 3855.31, 0.00314033/step Wall: 3855.31, 0.00314033/step, 3.31637 hours remaining, 233.535156 MB of memory in use. ENERGY: 1198200 3957.5204 20611.8592 14480.4657 224.6686 -203156.7047 2253.3098 0.0000 0.0000 52207.6153 -109421.2656 300.0379 -161628.8809 -109065.5499 299.3247 -191.1209 -157.5854 761645.7402 -1.3381 -1.2232 PRESSURE: 1198400 280.517 -13.1609 -31.4784 -13.162 382.173 135.179 -31.4782 135.179 540.694 GPRESSURE: 1198400 352.886 -113.157 -61.641 121.598 439.126 105.993 -89.6126 94.2248 491.547 PRESSAVG: 1198400 -14.5787 -17.6365 7.48093 -17.6364 17.4626 -6.3822 7.48091 -6.38226 5.74094 GPRESSAVG: 1198400 -14.9264 -21.9889 8.58472 -16.1801 17.535 -9.8042 8.141 -2.67734 6.08796 TIMING: 1198400 CPU: 3855.94, 0.00315977/step Wall: 3855.94, 0.00315977/step, 3.33672 hours remaining, 233.535156 MB of memory in use. ENERGY: 1198400 3930.0870 20512.1826 14453.6932 233.5776 -203261.0878 2550.7453 0.0000 0.0000 52001.5742 -109579.2279 298.8538 -161580.8021 -109208.6342 298.6353 401.1281 427.8530 759900.5395 2.8749 2.8988 PRESSURE: 1198600 -3.88411 228.214 -56.0887 228.213 -454.434 4.48428 -56.0894 4.4845 77.6955 GPRESSURE: 1198600 5.60267 264.349 -26.8308 88.7439 -332.578 6.26272 -129.953 -101.363 16.7407 PRESSAVG: 1198600 -33.6422 -33.6675 7.54166 -33.6675 54.8056 -25.3992 7.54167 -25.3992 -6.79531 GPRESSAVG: 1198600 -32.9472 -28.1071 6.558 -33.9561 55.1411 -24.905 7.70994 -28.0997 -7.93887 TIMING: 1198600 CPU: 3856.57, 0.00313941/step Wall: 3856.57, 0.00313941/step, 3.31504 hours remaining, 233.535156 MB of memory in use. ENERGY: 1198600 3928.7116 20528.3618 14467.8291 254.8812 -203158.0125 2420.9231 0.0000 0.0000 51963.4307 -109593.8750 298.6346 -161557.3057 -109226.4078 298.9026 -126.8743 -103.4117 761649.2069 4.7894 4.7517 PRESSURE: 1198800 -29.7774 -70.4768 35.0465 -70.4766 140.826 -216.203 35.0474 -216.203 87.1778 GPRESSURE: 1198800 -55.0431 -108.036 -71.2768 -158 232.096 -103.772 10.9737 -7.61 92.465 PRESSAVG: 1198800 74.8407 -41.3755 -35.1708 -41.3755 -20.2177 -3.41694 -35.1708 -3.41689 17.5669 GPRESSAVG: 1198800 73.7247 -42.184 -34.3441 -42.9255 -21.5644 -1.10129 -35.3685 -2.10945 20.4426 TIMING: 1198800 CPU: 3857.21, 0.00317793/step Wall: 3857.21, 0.00317793/step, 3.35555 hours remaining, 233.535156 MB of memory in use. ENERGY: 1198800 3961.8961 20509.0953 14467.7479 231.3100 -203719.7945 2768.5305 0.0000 0.0000 51940.6373 -109840.5774 298.5036 -161781.2148 -109478.5422 298.7720 66.0753 89.8394 760753.0199 24.0633 24.2009 PRESSURE: 1199000 145.504 134.218 348.107 134.218 -325.993 -209.259 348.107 -209.259 -220.804 GPRESSURE: 1199000 108.314 172.11 303.447 185.386 -272.466 -179.033 284.563 -119.404 -156.522 PRESSAVG: 1199000 31.3192 -84.3388 -25.3162 -84.3387 -5.51085 -3.09833 -25.3162 -3.09836 4.75714 GPRESSAVG: 1199000 31.8266 -83.4875 -24.3527 -84.2394 -4.42598 -2.97706 -26.8652 -4.05999 2.94882 TIMING: 1199000 CPU: 3857.84, 0.00314459/step Wall: 3857.84, 0.00314459/step, 3.32016 hours remaining, 233.535156 MB of memory in use. ENERGY: 1199000 4010.3733 20435.4118 14418.2074 232.5190 -203425.6961 2578.3597 0.0000 0.0000 52046.9719 -109703.8530 299.1147 -161750.8249 -109338.4371 299.1663 -133.7644 -106.8915 761543.8067 10.1885 10.1165 PRESSURE: 1199200 -250.045 117.585 -57.5463 117.585 -255.943 -50.5083 -57.5462 -50.5096 -182.274 GPRESSURE: 1199200 -207.439 48.6356 20.4681 154.639 -168.204 -93.4677 -73.3465 -12.7614 -227.167 PRESSAVG: 1199200 44.1905 -21.6452 -18.8859 -21.6451 -24.2393 16.8441 -18.8859 16.8442 -8.29456 GPRESSAVG: 1199200 44.0423 -24.0146 -19.7992 -22.8877 -25.335 17.0108 -18.3076 16.1446 -7.42489 TIMING: 1199200 CPU: 3858.47, 0.00315746/step Wall: 3858.47, 0.00315746/step, 3.33357 hours remaining, 233.535156 MB of memory in use. ENERGY: 1199200 4032.0046 20485.4701 14477.0450 240.0928 -202968.3555 2251.5479 0.0000 0.0000 52016.5208 -109465.6742 298.9397 -161482.1950 -109113.5949 298.9003 -229.4205 -200.9366 761739.4464 3.8855 3.7608 PRESSURE: 1199400 61.7145 -100.793 -113.66 -100.794 82.1158 -135.582 -113.66 -135.583 308.285 GPRESSURE: 1199400 171.821 -11.647 -125.934 -169.62 84.6513 -93.8076 -88.1204 -54.3943 276.984 PRESSAVG: 1199400 -63.6687 -25.1154 5.6728 -25.1154 31.0518 -15.0487 5.67284 -15.0487 -9.41181 GPRESSAVG: 1199400 -63.146 -22.577 5.59012 -24.9999 30.9343 -14.9632 6.22814 -14.5001 -9.94185 TIMING: 1199400 CPU: 3859.1, 0.00316281/step Wall: 3859.1, 0.00316281/step, 3.33905 hours remaining, 233.535156 MB of memory in use. ENERGY: 1199400 3962.3727 20506.0942 14444.8626 256.1519 -203034.3489 2254.4497 0.0000 0.0000 52231.6764 -109378.7414 300.1762 -161610.4179 -109020.2095 299.5773 150.7051 177.8187 759155.4017 -14.0096 -14.0512 PRESSURE: 1199600 147.758 -68.9209 365.193 -68.9202 -62.0542 -57.395 365.193 -57.3944 80.2197 GPRESSURE: 1199600 124.08 -52.7288 274.003 -51.4009 24.6934 -18.2137 279.528 -58.9029 113.305 PRESSAVG: 1199600 -68.0768 -46.8432 -10.2866 -46.8431 71.8596 7.43953 -10.2866 7.43953 1.89392 GPRESSAVG: 1199600 -69.1175 -47.8022 -9.78048 -45.3949 71.7242 6.18184 -11.0346 9.19877 3.13493 TIMING: 1199600 CPU: 3859.73, 0.00316794/step Wall: 3859.73, 0.00316794/step, 3.34429 hours remaining, 233.535156 MB of memory in use. ENERGY: 1199600 3972.8690 20543.0135 14495.7974 247.0628 -203807.2616 2835.5877 0.0000 0.0000 52284.2938 -109428.6374 300.4786 -161712.9313 -109065.2773 299.5924 55.3079 87.3593 760519.3452 1.8922 1.9139 PRESSURE: 1199800 -132.405 -231.868 -100.635 -231.868 -93.038 42.0665 -100.634 42.0658 55.7329 GPRESSURE: 1199800 -27.9858 -162.914 -55.0921 -173.358 -39.1434 93.9247 11.0345 -88.2268 -26.2875 PRESSAVG: 1199800 -28.9794 -91.9249 33.8235 -91.9249 18.5307 8.0215 33.8235 8.0214 -2.03519 GPRESSAVG: 1199800 -27.7611 -90.7911 33.5314 -92.8167 18.7382 8.34429 36.2666 7.62813 -3.15197 TIMING: 1199800 CPU: 3860.36, 0.00314858/step Wall: 3860.36, 0.00314858/step, 3.32368 hours remaining, 233.535156 MB of memory in use. ENERGY: 1199800 4063.4031 20437.3591 14540.2742 264.9361 -203378.7627 2571.6551 0.0000 0.0000 52026.7360 -109474.3991 298.9984 -161501.1351 -109116.4071 299.5303 -56.5699 -31.1389 762448.9294 -4.1613 -4.0583 WRITING COORDINATES TO DCD FILE MD.4.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: 1200000 -184.638 4.58838 64.0005 4.5896 -24.1895 72.7366 64.0007 72.736 -610.767 GPRESSURE: 1200000 -144.833 48.2953 132.784 3.07427 3.78527 85.0405 -30.9447 88.7676 -588.538 PRESSAVG: 1200000 -2.44599 -50.9545 17.3687 -50.9545 22.5743 27.2151 17.3688 27.2151 12.0136 GPRESSAVG: 1200000 -1.90823 -51.3597 18.3043 -51.4597 21.7798 27.5633 14.0069 24.4778 12.4854 TIMING: 1200000 CPU: 3861.01, 0.00326011/step Wall: 3861.01, 0.00326011/step, 3.44123 hours remaining, 233.535156 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: 1200000 4113.5344 20462.4317 14548.7711 237.3595 -203186.0086 2467.1072 0.0000 0.0000 52036.6020 -109320.2028 299.0551 -161356.8048 -108957.1432 299.2875 -273.1981 -243.1951 761532.3050 10.7140 10.7857 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 PRESSURE: 1200200 -8.56964 -88.9272 107.859 -88.9276 -36.5252 -56.7898 107.86 -56.7897 57.0679 GPRESSURE: 1200200 -9.31139 -140.496 42.0763 -104.52 35.4574 -57.2825 56.6846 -39.5293 77.4832 PRESSAVG: 1200200 -4.61342 -107.879 18.6149 -107.879 27.0891 -42.7391 18.6148 -42.7391 15.5215 GPRESSAVG: 1200200 -5.11949 -107.269 19.1043 -107.24 27.5705 -42.6954 17.6796 -40.5567 15.6904 TIMING: 1200200 CPU: 3861.65, 0.0031603/step Wall: 3861.65, 0.0031603/step, 3.33569 hours remaining, 233.535156 MB of memory in use. ENERGY: 1200200 3953.5668 20733.3949 14458.0802 230.6510 -203519.4069 2498.3691 0.0000 0.0000 52136.2056 -109509.1392 299.6275 -161645.3448 -109149.3792 299.8048 3.9910 34.5431 761838.6960 12.6657 12.7138 LDB: ============= START OF LOAD BALANCING ============== 3874.07 LDB: ============== END OF LOAD BALANCING =============== 3874.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3874.07 LDB: ============= START OF LOAD BALANCING ============== 3874.39 LDB: Largest compute 7031 load 0.036362 is 18.6% of average load 0.195083 LDB: Average compute 0.004400 is 2.3% of average load 0.195083 LDB: TIME 3874.39 LOAD: AVG 0.195083 MAX 0.213376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 3874.39 LOAD: AVG 0.195083 MAX 0.213376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: TIME 3874.39 LOAD: AVG 0.195083 MAX 0.213376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: ============== END OF LOAD BALANCING =============== 3874.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3874.4 PRESSURE: 1200400 82.2194 -35.2288 66.0906 -35.2289 213.213 -118.874 66.0908 -118.874 168.843 GPRESSURE: 1200400 78.3072 -9.19112 -52.7899 35.3427 280.602 -149.781 18.2848 47.0376 181.071 PRESSAVG: 1200400 45.0491 -103.271 -33.3653 -103.271 -20.6108 30.3854 -33.3652 30.3853 6.96106 GPRESSAVG: 1200400 44.8419 -103.443 -34.9827 -102.768 -20.8415 31.0391 -33.1068 28.5155 6.81239 TIMING: 1200400 CPU: 3862.29, 0.00323926/step Wall: 3862.29, 0.00323926/step, 3.41886 hours remaining, 231.593750 MB of memory in use. ENERGY: 1200400 4003.3622 20593.4100 14525.4512 243.5950 -203692.9191 2758.2379 0.0000 0.0000 51975.5832 -109593.2796 298.7044 -161568.8629 -109227.4570 299.2834 154.7584 179.9936 760861.2237 10.4665 10.2710 PRESSURE: 1200600 -164.431 -228.722 -192.011 -228.724 150.878 -112.896 -192.011 -112.897 178.327 GPRESSURE: 1200600 -88.0878 -234.511 -243.232 -344.387 237.903 -119.422 -77.8702 -135.413 106.726 PRESSAVG: 1200600 2.24171 -77.3663 -19.309 -77.3662 -40.6864 -15.4569 -19.3091 -15.457 -5.74811 GPRESSAVG: 1200600 2.3938 -78.1378 -20.1138 -76.5791 -40.021 -15.9716 -16.3917 -15.7546 -6.72238 TIMING: 1200600 CPU: 3862.92, 0.00314584/step Wall: 3862.92, 0.00314584/step, 3.32009 hours remaining, 231.937500 MB of memory in use. ENERGY: 1200600 3938.0350 20461.8213 14519.2212 239.5298 -203836.3527 2751.1236 0.0000 0.0000 52068.9738 -109857.6480 299.2411 -161926.6218 -109496.7638 298.9077 54.9246 85.5137 760309.9710 -14.7309 -14.7832 PRESSURE: 1200800 384.787 87.4954 -42.092 87.4955 126.008 -83.7415 -42.0922 -83.7417 -292.719 GPRESSURE: 1200800 303.046 168.129 44.4005 96.4736 210.098 -88.2048 -131.998 32.4837 -218.132 PRESSAVG: 1200800 -3.66338 -96.1158 -20.2518 -96.1158 -15.282 7.21269 -20.2519 7.21268 14.8118 GPRESSAVG: 1200800 -4.80148 -96.6031 -18.8969 -96.521 -15.8032 6.86574 -21.0746 8.20546 16.5124 TIMING: 1200800 CPU: 3863.56, 0.00317606/step Wall: 3863.56, 0.00317606/step, 3.35181 hours remaining, 231.937500 MB of memory in use. ENERGY: 1200800 3961.5932 20653.4078 14480.3641 241.6054 -203835.1448 2765.5298 0.0000 0.0000 51935.6412 -109797.0033 298.4748 -161732.6445 -109438.5920 298.6806 72.6922 98.3373 760703.0208 -1.3779 -1.3641 PRESSURE: 1201000 -205.771 -50.6761 -230.226 -50.677 -138.579 179.585 -230.226 179.585 -261.711 GPRESSURE: 1201000 -40.5738 -78.8593 -96.4013 -127.181 -121.334 166.891 -238.135 138.596 -354.301 PRESSAVG: 1201000 7.80428 -42.9524 -66.3961 -42.9523 19.954 -29.054 -66.3959 -29.0541 -19.0743 GPRESSAVG: 1201000 8.99134 -42.35 -67.6738 -43.4062 19.947 -29.9179 -65.2944 -28.902 -20.565 TIMING: 1201000 CPU: 3864.19, 0.00317799/step Wall: 3864.19, 0.00317799/step, 3.35366 hours remaining, 231.937500 MB of memory in use. ENERGY: 1201000 3989.2115 20454.2129 14457.2521 244.6012 -203426.3637 2519.8266 0.0000 0.0000 52103.2496 -109658.0098 299.4381 -161761.2595 -109291.2503 298.9564 -202.0202 -172.0698 762332.7126 2.8947 2.7911 PRESSURE: 1201200 -123.725 -111.442 -255.562 -111.442 -139.897 -114.412 -255.562 -114.412 -13.7591 GPRESSURE: 1201200 -63.5229 -220.78 -233.545 -176.317 -207.149 -178.187 -270.282 -165.979 83.8511 PRESSAVG: 1201200 -11.0138 -53.141 7.40061 -53.141 -26.1311 6.96878 7.40059 6.96875 19.671 GPRESSAVG: 1201200 -10.7278 -52.7245 8.65545 -54.1221 -26.2039 7.33924 6.07177 9.07454 19.8255 TIMING: 1201200 CPU: 3864.83, 0.00319953/step Wall: 3864.83, 0.00319953/step, 3.37621 hours remaining, 231.937500 MB of memory in use. ENERGY: 1201200 4023.4628 20547.2470 14558.4778 265.8937 -203462.7950 2456.5446 0.0000 0.0000 52020.0375 -109591.1317 298.9599 -161611.1692 -109232.4363 299.0437 -92.4604 -62.2735 760352.3944 -5.8246 -5.7021 PRESSURE: 1201400 69.3478 -275.117 46.6114 -275.117 -157.257 116.751 46.6113 116.751 153.423 GPRESSURE: 1201400 120.721 -268.627 38.5133 -207.101 -143.064 48.2561 105.705 185.428 168.872 PRESSAVG: 1201400 72.3058 -45.2602 4.47607 -45.2602 -48.5799 -9.06532 4.47611 -9.0653 4.29918 GPRESSAVG: 1201400 71.8613 -46.1269 4.18702 -43.4945 -48.8569 -8.5164 2.9449 -10.4192 4.53756 TIMING: 1201400 CPU: 3865.46, 0.00315032/step Wall: 3865.46, 0.00315032/step, 3.32411 hours remaining, 231.937500 MB of memory in use. ENERGY: 1201400 3996.1356 20667.5204 14491.6662 240.6426 -203748.3734 2704.5621 0.0000 0.0000 52087.7126 -109560.1338 299.3488 -161647.8465 -109187.9779 299.0504 21.8378 48.8434 760193.5659 9.3417 9.1806 PRESSURE: 1201600 177.269 -106.386 -42.6754 -106.386 -75.7753 -223.599 -42.6759 -223.6 -264.817 GPRESSURE: 1201600 216.041 -76.3173 -111.118 -45.7435 -21.8778 -232.198 5.13599 -220.928 -290.21 PRESSAVG: 1201600 47.0474 -41.2188 -18.9464 -41.2187 -45.988 7.86809 -18.9464 7.86811 0.940938 GPRESSAVG: 1201600 45.8416 -41.6228 -20.1266 -42.0069 -44.555 8.50235 -15.8747 9.54416 0.892265 TIMING: 1201600 CPU: 3866.1, 0.0031561/step Wall: 3866.1, 0.0031561/step, 3.33004 hours remaining, 231.937500 MB of memory in use. ENERGY: 1201600 3988.9062 20697.3769 14458.5512 243.2146 -203571.5672 2537.9591 0.0000 0.0000 51961.7525 -109683.8069 298.6249 -161645.5593 -109328.1188 299.0328 -54.4408 -32.0156 760984.2413 0.6668 0.7263 PRESSURE: 1201800 -105.052 -130.778 96.9259 -130.778 56.2138 -312.955 96.9262 -312.954 -392.417 GPRESSURE: 1201800 -63.4945 -43.3091 73.8979 -173.26 9.18576 -288.652 48.1208 -174.392 -284.974 PRESSAVG: 1201800 55.0453 -49.371 -11.579 -49.3709 -15.9578 -19.0485 -11.579 -19.0485 35.3448 GPRESSAVG: 1201800 57.7351 -48.1805 -10.4565 -49.9755 -18.1593 -19.211 -14.5103 -21.2624 34.6084 TIMING: 1201800 CPU: 3866.74, 0.00320069/step Wall: 3866.74, 0.00320069/step, 3.37691 hours remaining, 231.937500 MB of memory in use. ENERGY: 1201800 4022.2252 20598.2447 14504.2047 228.4182 -203343.2084 2073.2329 0.0000 0.0000 52210.6639 -109706.2188 300.0554 -161916.8828 -109339.9264 299.3800 -147.0850 -113.0942 760062.0940 24.8107 24.7281 PRESSURE: 1202000 102.498 -247.846 211.275 -247.846 140.537 -123.112 211.275 -123.112 64.5065 GPRESSURE: 1202000 53.0716 -308.527 108.557 -335.122 210.133 -108.949 133.874 -67.2326 128.263 PRESSAVG: 1202000 -28.2426 -81.8646 27.5249 -81.8646 16.3557 26.0022 27.5248 26.0022 -20.2057 GPRESSAVG: 1202000 -29.3368 -84.1421 26.4112 -80.1825 16.8695 24.8339 29.2369 26.8679 -19.6459 TIMING: 1202000 CPU: 3867.37, 0.00317396/step Wall: 3867.37, 0.00317396/step, 3.34852 hours remaining, 231.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1202000 3917.3284 20467.8146 14424.5110 263.3093 -203457.1353 2436.2292 0.0000 0.0000 52067.0339 -109880.9088 299.2300 -161947.9427 -109516.6212 298.5694 102.5139 130.4891 758215.8402 -10.6975 -10.7044 PRESSURE: 1202200 15.2014 -78.9402 125.906 -78.9403 95.658 -90.7298 125.906 -90.7299 141.031 GPRESSURE: 1202200 105.484 -54.0138 193.893 14.3883 96.2036 20.916 61.3589 -95.1859 131.406 PRESSAVG: 1202200 -27.247 -31.7174 23.8333 -31.7174 -4.3651 34.6052 23.8332 34.6052 16.2767 GPRESSAVG: 1202200 -27.6137 -29.654 26.5959 -33.4437 -4.42028 35.1353 20.3488 34.9504 16.9821 TIMING: 1202200 CPU: 3868, 0.00315165/step Wall: 3868, 0.00315165/step, 3.32482 hours remaining, 231.937500 MB of memory in use. ENERGY: 1202200 3988.9836 20384.4308 14481.5199 245.7548 -203472.7395 2504.5571 0.0000 0.0000 51931.0050 -109936.4884 298.4482 -161867.4934 -109573.5834 298.2801 83.9633 111.0313 759604.4588 -5.1118 -5.0173 PRESSURE: 1202400 -182.248 -105.316 -80.3488 -105.315 -45.1478 -86.1303 -80.3493 -86.1304 157.764 GPRESSURE: 1202400 -126.96 -45.7394 -63.428 -57.107 -60.4519 -146.968 -156.567 -54.6606 199.867 PRESSAVG: 1202400 35.4355 -31.0387 -11.0139 -31.0387 -65.3713 41.2635 -11.014 41.2635 19.4868 GPRESSAVG: 1202400 35.6258 -29.9482 -12.8439 -33.3252 -64.9943 41.2124 -9.10068 40.4664 19.4054 TIMING: 1202400 CPU: 3868.63, 0.00315808/step Wall: 3868.63, 0.00315808/step, 3.33142 hours remaining, 231.937500 MB of memory in use. ENERGY: 1202400 3947.8974 20436.7087 14424.7843 222.9945 -203135.7078 2299.5239 0.0000 0.0000 51604.5880 -110199.2110 296.5723 -161803.7991 -109833.4071 297.4919 -23.2107 4.1519 759912.0746 -3.4830 -3.3210 PRESSURE: 1202600 -123.415 -259.145 219.908 -259.146 -160.404 -255.079 219.908 -255.079 -202.141 GPRESSURE: 1202600 -53.8704 -230.344 171.363 -342.203 -143.546 -194.291 223.505 -210.099 -197.883 PRESSAVG: 1202600 8.27813 -101.431 -3.71763 -101.431 -20.6296 17.473 -3.71762 17.473 6.52114 GPRESSAVG: 1202600 8.15533 -101.957 -4.70767 -99.7778 -21.2259 18.9966 -5.05318 16.3477 6.89833 TIMING: 1202600 CPU: 3869.26, 0.00316116/step Wall: 3869.26, 0.00316116/step, 3.3345 hours remaining, 231.937500 MB of memory in use. ENERGY: 1202600 4007.8537 20321.9998 14526.6997 245.7628 -203210.3083 2387.0897 0.0000 0.0000 51566.2401 -110154.6624 296.3519 -161720.9026 -109801.3031 297.5218 -161.9868 -131.7664 759684.4445 -1.9434 -2.0574 PRESSURE: 1202800 -111.173 89.271 -105.624 89.2719 2.82661 43.1604 -105.625 43.1596 -204.824 GPRESSURE: 1202800 -81.4263 -53.0986 -243.17 37.2451 -0.226053 121.951 -26.3183 -30.7528 -121.295 PRESSAVG: 1202800 -49.5013 -28.2625 -68.173 -28.2625 50.6065 -19.1421 -68.1729 -19.142 14.7916 GPRESSAVG: 1202800 -49.5852 -29.8906 -66.8832 -28.3387 52.0347 -20.2237 -67.036 -17.5767 13.419 TIMING: 1202800 CPU: 3869.9, 0.00315356/step Wall: 3869.9, 0.00315356/step, 3.32631 hours remaining, 231.937500 MB of memory in use. ENERGY: 1202800 3980.5003 20370.3808 14509.4589 233.8339 -203159.0663 2298.4796 0.0000 0.0000 51462.1740 -110304.2387 295.7538 -161766.4127 -109953.4534 297.3682 -104.3904 -67.6493 759303.7950 5.2989 5.2895 PRESSURE: 1203000 91.6103 168.769 -144.748 168.77 344.397 185.414 -144.747 185.414 233.455 GPRESSURE: 1203000 126.196 92.2598 -70.1896 242.727 331.064 124.343 -220.007 117.136 284.366 PRESSAVG: 1203000 1.69295 -85.669 -51.1894 -85.669 11.5936 14.0517 -51.1894 14.0518 13.6976 GPRESSAVG: 1203000 2.65125 -84.9021 -52.1714 -85.7946 10.1582 12.7622 -50.9324 12.175 14.449 TIMING: 1203000 CPU: 3870.52, 0.00314613/step Wall: 3870.52, 0.00314613/step, 3.31829 hours remaining, 231.937500 MB of memory in use. ENERGY: 1203000 3962.8505 20370.6625 14483.5954 247.6699 -203422.0113 2556.0054 0.0000 0.0000 51500.3830 -110300.8446 295.9734 -161801.2276 -109951.6790 297.2656 223.1541 247.2085 758143.3992 8.9947 9.0862 PRESSURE: 1203200 -30.8426 -80.9466 141.484 -80.9454 -298.044 -6.04196 141.484 -6.04182 -87.7519 GPRESSURE: 1203200 9.44556 -19.1088 171.705 -103.603 -237.108 -31.49 48.4786 19.0823 -91.9579 PRESSAVG: 1203200 17.3746 -50.4119 -9.1456 -50.4119 -18.8672 5.09717 -9.1457 5.09721 -12.7736 GPRESSAVG: 1203200 17.7488 -49.4101 -7.45058 -49.4907 -19.8349 4.69626 -9.99619 6.76121 -12.7929 TIMING: 1203200 CPU: 3871.16, 0.003156/step Wall: 3871.16, 0.003156/step, 3.32853 hours remaining, 231.937500 MB of memory in use. ENERGY: 1203200 3973.0885 20463.5368 14448.1233 242.6959 -203106.2605 2193.0155 0.0000 0.0000 51765.0851 -110020.7152 297.4947 -161785.8003 -109666.0746 297.5669 -138.8794 -106.5402 760598.2329 -4.7554 -4.9596 PRESSURE: 1203400 -12.9123 9.49694 310.658 9.49653 110.711 -94.654 310.658 -94.6541 387.049 GPRESSURE: 1203400 2.83452 -153.45 330.476 -74.1677 221.038 -43.1319 282.315 -45.3631 345.674 PRESSAVG: 1203400 -29.5917 -15.4108 27.878 -15.4109 -17.2416 16.9253 27.878 16.9253 -9.89835 GPRESSAVG: 1203400 -31.4652 -17.3279 26.8237 -16.3782 -15.1659 16.7878 30.149 16.6673 -10.5607 TIMING: 1203400 CPU: 3871.79, 0.0031542/step Wall: 3871.79, 0.0031542/step, 3.32646 hours remaining, 231.937500 MB of memory in use. ENERGY: 1203400 3945.4089 20343.6395 14466.3759 260.9165 -203879.2565 2856.3510 0.0000 0.0000 52172.8802 -109833.6846 299.8383 -162006.5648 -109460.3278 298.2710 161.6158 189.8490 760470.1272 -18.9105 -19.0639 PRESSURE: 1203600 30.2015 8.05307 -90.6705 8.05241 56.9815 -101.882 -90.6711 -101.882 -8.6444 GPRESSURE: 1203600 151.229 -16.2059 -60.4346 -17.975 76.7779 -221.467 -76.7784 -15.8444 -60.9863 PRESSAVG: 1203600 15.9094 -41.8922 8.82214 -41.8923 -1.79128 56.2242 8.82212 56.2242 8.35717 GPRESSAVG: 1203600 17.0383 -42.4194 9.41318 -40.8077 -3.65808 58.3659 8.37231 56.0081 8.54121 TIMING: 1203600 CPU: 3872.42, 0.00318625/step Wall: 3872.42, 0.00318625/step, 3.36008 hours remaining, 231.937500 MB of memory in use. ENERGY: 1203600 3983.4792 20503.3651 14570.0766 242.7114 -203602.0546 2545.4085 0.0000 0.0000 52030.1818 -109726.8321 299.0182 -161757.0139 -109371.9814 298.6081 26.1795 55.6735 759813.1664 7.4918 7.3071 PRESSURE: 1203800 -100.848 -186.058 -26.0915 -186.058 175.225 -87.7581 -26.0909 -87.7568 -144.869 GPRESSURE: 1203800 -30.6156 -69.1905 -32.9221 -135.068 183.866 -115.962 -97.386 -105.647 -129.195 PRESSAVG: 1203800 27.6293 -64.936 4.2765 -64.936 12.7366 -2.96051 4.27648 -2.9605 4.66027 GPRESSAVG: 1203800 27.3373 -61.1581 4.31344 -65.4534 14.439 -2.44444 3.64772 -3.86617 4.16622 TIMING: 1203800 CPU: 3873.06, 0.0031834/step Wall: 3873.06, 0.0031834/step, 3.35689 hours remaining, 231.937500 MB of memory in use. ENERGY: 1203800 3968.1810 20573.9181 14533.0121 241.9371 -203454.8953 2281.1681 0.0000 0.0000 52095.2934 -109761.3856 299.3924 -161856.6790 -109396.2142 299.0636 -23.4973 8.0185 759201.3861 15.0087 15.3142 PRESSURE: 1204000 -224.589 20.8558 -6.69938 20.8546 -4.70663 139.6 -6.69965 139.6 187.543 GPRESSURE: 1204000 -141.891 43.0697 0.68886 29.1622 1.23147 115.436 -12.2486 -15.1854 183.967 PRESSAVG: 1204000 -24.6151 -76.2296 -34.6035 -76.2297 4.20151 28.1434 -34.6035 28.1434 4.00656 GPRESSAVG: 1204000 -22.9487 -79.4507 -35.0406 -74.0916 2.67266 27.9977 -34.5252 27.9943 3.92883 TIMING: 1204000 CPU: 3873.69, 0.00314822/step Wall: 3873.69, 0.00314822/step, 3.31963 hours remaining, 231.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1204000 3814.9279 20504.0714 14521.5898 237.2241 -203133.3862 2314.4601 0.0000 0.0000 51954.5239 -109786.5890 298.5834 -161741.1129 -109417.2772 298.4490 -13.9175 14.4358 761091.0806 -5.4690 -5.4491 PRESSURE: 1204200 -78.473 123.207 93.9811 123.207 317.462 17.3176 93.9812 17.3174 274.746 GPRESSURE: 1204200 -90.4431 34.407 135.484 179.964 401.42 40.6836 87.8802 -141 271.166 PRESSAVG: 1204200 -22.4789 4.10911 20.1078 4.10912 41.251 -16.9232 20.1077 -16.9232 4.86659 GPRESSAVG: 1204200 -23.7124 3.45967 20.582 3.10319 42.2514 -18.3891 17.5891 -16.0752 4.78687 TIMING: 1204200 CPU: 3874.32, 0.00316108/step Wall: 3874.32, 0.00316108/step, 3.33301 hours remaining, 231.937500 MB of memory in use. ENERGY: 1204200 3963.3313 20559.8208 14514.5323 245.9174 -203469.5659 2687.4421 0.0000 0.0000 51872.6799 -109625.8421 298.1130 -161498.5219 -109262.1577 298.4193 171.2452 194.0479 761019.2499 7.8796 7.7753 LDB: ============= START OF LOAD BALANCING ============== 3886.75 LDB: ============== END OF LOAD BALANCING =============== 3886.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3886.75 LDB: ============= START OF LOAD BALANCING ============== 3887.06 LDB: Largest compute 7031 load 0.034063 is 17.5% of average load 0.195123 LDB: Average compute 0.004377 is 2.2% of average load 0.195123 LDB: TIME 3887.07 LOAD: AVG 0.195123 MAX 0.213267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.418 MB LDB: TIME 3887.07 LOAD: AVG 0.195123 MAX 0.213267 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.621 MB LDB: TIME 3887.07 LOAD: AVG 0.195123 MAX 0.213267 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.621 MB LDB: ============== END OF LOAD BALANCING =============== 3887.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3887.08 PRESSURE: 1204400 -207.348 -103.242 -175.927 -103.242 -90.4843 180.019 -175.926 180.02 -0.10656 GPRESSURE: 1204400 -176.752 -53.1999 -185.301 -143.959 28.3151 171.078 -179.277 68.0017 -60.1801 PRESSAVG: 1204400 -72.5321 -1.77827 -45.9654 -1.77817 75.4263 20.1882 -45.9654 20.1882 -6.9548 GPRESSAVG: 1204400 -72.7959 -1.5305 -45.5918 -2.78943 76.1018 21.9319 -42.53 19.0305 -6.88883 TIMING: 1204400 CPU: 3874.97, 0.00323329/step Wall: 3874.97, 0.00323329/step, 3.40896 hours remaining, 231.398438 MB of memory in use. ENERGY: 1204400 3871.3652 20578.2484 14518.6655 245.9155 -202702.6444 2113.7417 0.0000 0.0000 51773.3342 -109601.3739 297.5421 -161374.7081 -109234.2550 299.0883 -99.3130 -69.5390 760713.0993 -1.3535 -1.1943 PRESSURE: 1204600 -210.587 33.6575 -177.41 33.6576 109.164 51.0501 -177.41 51.0504 169.338 GPRESSURE: 1204600 -224.954 0.381831 -161.316 -63.8347 89.0814 47.065 -127.388 74.3665 281.293 PRESSAVG: 1204600 -30.2503 -14.1543 -19.4233 -14.1543 22.7985 -0.648833 -19.4234 -0.648866 25.008 GPRESSAVG: 1204600 -28.6758 -15.7455 -21.1043 -11.5648 21.6908 -1.12026 -20.021 -0.879158 24.8448 TIMING: 1204600 CPU: 3875.61, 0.00320323/step Wall: 3875.61, 0.00320323/step, 3.37709 hours remaining, 231.523438 MB of memory in use. ENERGY: 1204600 3934.7713 20450.5948 14497.0797 264.1851 -203035.3696 2183.0674 0.0000 0.0000 51862.9135 -109842.7578 298.0569 -161705.6713 -109485.3531 298.2301 22.6383 48.4736 760981.5514 5.8520 5.9533 PRESSURE: 1204800 -84.2603 -148.905 -223.164 -148.904 -64.4363 -28.2548 -223.165 -28.2533 -144.667 GPRESSURE: 1204800 -30.4538 -91.2128 -183.417 -80.8523 19.1607 -121.02 -114.286 28.1542 -210.576 PRESSAVG: 1204800 -29.3332 -38.5697 3.13691 -38.5696 -9.86463 -54.4395 3.13688 -54.4395 -2.9863 GPRESSAVG: 1204800 -30.2164 -35.9836 4.36165 -38.6179 -8.86354 -55.6784 4.629 -53.1521 -2.64023 TIMING: 1204800 CPU: 3876.25, 0.00322067/step Wall: 3876.25, 0.00322067/step, 3.39531 hours remaining, 231.523438 MB of memory in use. ENERGY: 1204800 3875.9057 20729.6613 14556.8010 239.8622 -203031.0596 1920.6472 0.0000 0.0000 51887.3028 -109820.8794 298.1970 -161708.1822 -109466.5620 298.5146 -97.7878 -73.9563 760366.8767 -14.0614 -13.9067 PRESSURE: 1205000 -182.199 -65.7097 149.947 -65.7097 -6.35834 -226.621 149.947 -226.623 287.636 GPRESSURE: 1205000 -173.623 -38.6616 48.9937 -38.3804 59.3042 -109.143 49.3148 -197.748 290.752 PRESSAVG: 1205000 58.1132 -0.699461 -17.1904 -0.699505 -68.8524 33.2118 -17.1904 33.2117 -2.91494 GPRESSAVG: 1205000 58.136 0.36867 -19.324 -1.94188 -69.7189 34.5974 -18.1276 31.3049 -2.51527 TIMING: 1205000 CPU: 3876.9, 0.0032092/step Wall: 3876.9, 0.0032092/step, 3.38303 hours remaining, 231.523438 MB of memory in use. ENERGY: 1205000 3912.6913 20573.8709 14528.8458 226.9459 -203299.2100 2206.0849 0.0000 0.0000 52055.6821 -109795.0890 299.1647 -161850.7711 -109433.2487 298.6588 33.0261 58.8112 760727.4850 -4.5514 -4.6994 PRESSURE: 1205200 104.394 17.0274 133.743 17.027 -31.4493 -9.21643 133.743 -9.21656 288.136 GPRESSURE: 1205200 132.596 -108.902 78.686 -111.632 62.7326 19.4179 79.2242 -72.1898 259.602 PRESSAVG: 1205200 -17.016 8.2835 13.3812 8.28352 26.576 -34.2461 13.3812 -34.2462 5.38527 GPRESSAVG: 1205200 -17.0358 4.60099 15.1147 6.78916 25.9868 -33.4059 13.0939 -33.0851 5.17006 TIMING: 1205200 CPU: 3877.53, 0.00317723/step Wall: 3877.53, 0.00317723/step, 3.34915 hours remaining, 231.523438 MB of memory in use. ENERGY: 1205200 3900.5869 20455.1020 14578.1306 247.4858 -203297.7190 2517.8459 0.0000 0.0000 51872.2596 -109726.3084 298.1106 -161598.5680 -109369.4882 298.9491 120.3602 151.6434 760457.0295 4.9818 4.7070 PRESSURE: 1205400 2.81427 131.794 -46.1158 131.794 340.089 27.1476 -46.1167 27.1481 -67.5818 GPRESSURE: 1205400 52.9069 -4.93753 -62.3657 69.3493 367.725 35.1657 -70.1567 -14.3966 -60.3326 PRESSAVG: 1205400 1.97751 2.17734 -50.6962 2.17731 -16.9721 45.2267 -50.6961 45.2266 30.8304 GPRESSAVG: 1205400 1.92258 3.9164 -50.2865 1.59573 -16.0085 42.7685 -50.4538 44.9882 29.9981 TIMING: 1205400 CPU: 3878.17, 0.00320704/step Wall: 3878.17, 0.00320704/step, 3.3804 hours remaining, 231.523438 MB of memory in use. ENERGY: 1205400 3924.3051 20632.5977 14448.7804 230.0004 -203429.4742 2486.7194 0.0000 0.0000 52294.1003 -109412.9709 300.5349 -161707.0712 -109045.4162 298.9752 91.7737 120.0997 759747.1577 5.2786 5.3041 PRESSURE: 1205600 -395.274 8.99995 -303.544 9.00039 -168.876 -105.421 -303.545 -105.422 -46.0366 GPRESSURE: 1205600 -238.284 39.9531 -276.143 165.497 -244.534 -11.9381 -232.384 -101.874 -29.3058 PRESSAVG: 1205600 28.7967 -6.8703 -59.339 -6.87025 13.9591 29.7566 -59.3391 29.7565 -3.42059 GPRESSAVG: 1205600 28.574 -5.99436 -60.992 -4.685 13.6217 30.6416 -60.0768 30.804 -2.48094 TIMING: 1205600 CPU: 3878.81, 0.00320666/step Wall: 3878.81, 0.00320666/step, 3.37982 hours remaining, 231.523438 MB of memory in use. ENERGY: 1205600 4005.0303 20783.1017 14559.6607 246.5125 -203246.9533 2247.2458 0.0000 0.0000 52027.7758 -109377.6265 299.0043 -161405.4023 -109009.8627 300.0735 -203.3954 -170.7078 758945.9359 13.1118 13.2383 PRESSURE: 1205800 694.836 -170.994 -141.739 -170.994 -101.675 -200.751 -141.739 -200.751 47.9658 GPRESSURE: 1205800 582.348 -271.013 -113.877 -135.583 10.5102 -223.095 -189.513 -98.298 120.594 PRESSAVG: 1205800 26.4837 -28.1362 14.1863 -28.1361 -11.1105 11.3027 14.1863 11.3027 -28.3736 GPRESSAVG: 1205800 26.3533 -27.7286 14.8205 -28.1947 -10.317 12.5258 14.4618 9.01723 -28.7319 TIMING: 1205800 CPU: 3879.46, 0.00322652/step Wall: 3879.46, 0.00322652/step, 3.40057 hours remaining, 231.523438 MB of memory in use. ENERGY: 1205800 4025.2897 20745.4694 14509.2906 243.4107 -203299.6493 2291.1522 0.0000 0.0000 52038.4697 -109446.5670 299.0658 -161485.0367 -109097.9548 300.0264 213.7090 237.8175 759654.1334 -4.3335 -4.2319 PRESSURE: 1206000 225.456 -138.583 69.933 -138.583 110.057 220.918 69.9341 220.919 387.278 GPRESSURE: 1206000 252.305 -53.0389 137.586 -106.555 223.137 174.468 -29.1366 175.561 351.336 PRESSAVG: 1206000 59.2299 -97.1153 16.1731 -97.1153 -54.1157 60.9078 16.173 60.9078 21.9087 GPRESSAVG: 1206000 58.8261 -95.6893 16.9226 -98.7483 -53.5209 60.6262 16.2637 61.5303 21.3489 TIMING: 1206000 CPU: 3880.1, 0.00322791/step Wall: 3880.1, 0.00322791/step, 3.40186 hours remaining, 231.523438 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: 1206000 4035.3063 20473.9998 14494.8714 255.7928 -203805.8268 2885.8000 0.0000 0.0000 52135.3553 -109524.7011 299.6226 -161660.0565 -109155.7296 299.3053 240.9302 275.5926 760946.7751 9.0076 8.8847 PRESSURE: 1206200 -338.913 -67.2232 -17.1131 -67.2232 -39.0551 10.4164 -17.1136 10.4166 71.8514 GPRESSURE: 1206200 -248.218 -218.27 -26.7577 -96.7946 34.2217 61.5655 -39.2336 -77.8155 -18.8994 PRESSAVG: 1206200 30.2627 -74.9191 -37.8735 -74.919 -19.672 42.7497 -37.8735 42.7497 2.43706 GPRESSAVG: 1206200 30.6912 -77.0976 -40.1669 -73.1462 -21.0588 43.0466 -36.6366 41.2887 3.57076 TIMING: 1206200 CPU: 3880.75, 0.00321775/step Wall: 3880.75, 0.00321775/step, 3.39098 hours remaining, 231.523438 MB of memory in use. ENERGY: 1206200 4013.4846 20535.9746 14456.2302 238.7072 -203343.4471 2366.1636 0.0000 0.0000 52192.2432 -109540.6437 299.9495 -161732.8869 -109173.3658 299.1737 -102.0389 -77.6318 761968.9981 4.3426 4.4010 PRESSURE: 1206400 -4.00267 -90.4818 108.517 -90.4818 -32.1207 19.0123 108.518 19.0122 -242.959 GPRESSURE: 1206400 -15.4528 -13.2851 50.1778 -61.2463 18.2243 124.703 164.833 61.8967 -199.168 PRESSAVG: 1206400 -21.4438 -57.8051 0.630853 -57.8051 41.3302 17.1368 0.630952 17.1368 -2.23081 GPRESSAVG: 1206400 -21.7099 -55.9957 0.996119 -58.7426 41.6928 17.4682 0.565804 18.868 -2.5765 TIMING: 1206400 CPU: 3881.39, 0.00318642/step Wall: 3881.39, 0.00318642/step, 3.35778 hours remaining, 231.523438 MB of memory in use. ENERGY: 1206400 3942.1464 20578.7581 14503.2985 269.6180 -203429.8613 2386.8779 0.0000 0.0000 52082.1140 -109667.0486 299.3166 -161749.1625 -109302.0527 299.3750 -93.0274 -65.4654 761505.8539 5.8852 5.8021 PRESSURE: 1206600 39.9074 155.371 196.381 155.372 223.195 10.5637 196.381 10.5634 -164.753 GPRESSURE: 1206600 110.916 97.8735 188.49 68.5058 131.627 -19.2368 219.851 6.83568 -50.608 PRESSAVG: 1206600 -35.6418 -14.4268 54.6204 -14.4268 33.2931 14.9829 54.6204 14.9829 -17.8638 GPRESSAVG: 1206600 -34.661 -14.3958 55.4185 -13.8713 32.1653 14.9066 54.031 13.045 -17.2997 TIMING: 1206600 CPU: 3882.02, 0.00316402/step Wall: 3882.02, 0.00316402/step, 3.33399 hours remaining, 231.523438 MB of memory in use. ENERGY: 1206600 4031.0023 20452.3276 14516.2928 261.8280 -203629.2035 2657.7015 0.0000 0.0000 51825.4952 -109884.5560 297.8418 -161710.0512 -109518.4233 298.6422 32.7831 63.9784 761004.7896 -6.7375 -6.5985 PRESSURE: 1206800 -370.298 -33.5175 -188.688 -33.5177 -500.01 -110.971 -188.688 -110.971 -217.737 GPRESSURE: 1206800 -277.406 -3.44673 -215.648 1.91646 -443.943 -154.086 -271.634 -48.7723 -279.492 PRESSAVG: 1206800 40.1712 -12.0292 15.2278 -12.0293 -33.2124 5.37158 15.2278 5.37163 7.29157 GPRESSAVG: 1206800 39.374 -13.3018 14.5619 -13.1207 -31.4688 4.57571 16.6992 5.70275 6.38096 TIMING: 1206800 CPU: 3882.66, 0.00319131/step Wall: 3882.66, 0.00319131/step, 3.36258 hours remaining, 231.523438 MB of memory in use. ENERGY: 1206800 3951.2477 20554.9757 14482.0872 238.2659 -203189.3850 2215.2011 0.0000 0.0000 52094.3646 -109653.2428 299.3870 -161747.6074 -109276.6770 298.3041 -362.6814 -333.6136 761934.8962 4.7501 4.7621 PRESSURE: 1207000 -186.241 -115.981 -51.9301 -115.981 -73.87 90.256 -51.9304 90.2555 205.587 GPRESSURE: 1207000 -105.078 -158.516 -196.756 -19.4283 -159.424 1.49162 -68.0796 265.784 281.623 PRESSAVG: 1207000 38.9804 -12.1649 -33.1765 -12.1649 -18.9286 13.9734 -33.1765 13.9734 14.904 GPRESSAVG: 1207000 38.735 -10.8411 -32.1855 -11.7714 -18.7666 13.451 -34.1609 15.2616 15.0074 TIMING: 1207000 CPU: 3883.29, 0.0031475/step Wall: 3883.29, 0.00314751/step, 3.31625 hours remaining, 231.523438 MB of memory in use. ENERGY: 1207000 3961.1140 20628.9023 14522.7082 230.4923 -203547.1246 2454.5148 0.0000 0.0000 52070.8504 -109678.5426 299.2519 -161749.3930 -109325.7587 298.7728 -18.1746 5.7071 760443.4424 11.6519 11.6586 PRESSURE: 1207200 27.7281 114.728 103.856 114.728 -163.567 -245.826 103.856 -245.825 17.4932 GPRESSURE: 1207200 46.0577 -37.7113 113.596 184.319 -89.4893 -243.042 -16.3312 -94.3845 2.97774 PRESSAVG: 1207200 -22.5315 -15.1108 32.373 -15.1108 25.7391 22.9443 32.373 22.9443 -3.83555 GPRESSAVG: 1207200 -22.9944 -18.0147 32.1279 -16.1164 25.3297 23.6732 30.8747 23.7568 -3.39802 TIMING: 1207200 CPU: 3883.92, 0.00315547/step Wall: 3883.92, 0.00315547/step, 3.32446 hours remaining, 231.761719 MB of memory in use. ENERGY: 1207200 3978.7325 20456.9225 14562.8418 233.6292 -203770.3999 2587.0246 0.0000 0.0000 52075.1075 -109876.1418 299.2764 -161951.2493 -109513.5656 299.2351 -39.4485 -13.4846 759178.6462 -0.2093 -0.3543 PRESSURE: 1207400 -104.667 -82.031 55.6586 -82.03 -175.586 105.851 55.6596 105.852 -367.685 GPRESSURE: 1207400 -141.116 -50.6718 6.46916 -96.1646 -50.9729 200.457 143.369 73.078 -366.301 PRESSAVG: 1207400 -26.5161 -23.404 -0.660164 -23.4039 -8.99054 34.9426 -0.660128 34.9426 0.482714 GPRESSAVG: 1207400 -25.7016 -22.5581 -1.16583 -22.2633 -9.29274 33.7871 -0.340344 37.0937 0.509986 TIMING: 1207400 CPU: 3884.55, 0.00317274/step Wall: 3884.55, 0.00317274/step, 3.34248 hours remaining, 231.761719 MB of memory in use. ENERGY: 1207400 4006.0673 20542.7558 14588.9724 242.0215 -203938.8087 2614.8829 0.0000 0.0000 52158.8997 -109785.2091 299.7579 -161944.1088 -109416.1693 298.9458 -215.9792 -186.1301 759934.7106 -11.6747 -11.4948 PRESSURE: 1207600 -41.0785 -69.8536 -170.107 -69.8528 52.108 -28.0957 -170.108 -28.0959 -234.941 GPRESSURE: 1207600 -19.5325 -103.284 -286.046 -28.6189 42.5098 -2.41734 -170.099 -42.9671 -176.537 PRESSAVG: 1207600 15.9175 -20.3312 11.4262 -20.3311 -2.45913 -18.6213 11.4262 -18.6212 -13.549 GPRESSAVG: 1207600 15.7834 -20.0984 11.0831 -19.9049 -1.90268 -16.8409 12.8482 -22.9719 -13.4345 TIMING: 1207600 CPU: 3885.18, 0.00315574/step Wall: 3885.18, 0.00315574/step, 3.32439 hours remaining, 231.761719 MB of memory in use. ENERGY: 1207600 4023.7973 20699.8369 14541.4735 252.0527 -203418.6802 2424.8610 0.0000 0.0000 51685.0322 -109791.6266 297.0346 -161476.6588 -109429.5106 298.8475 -74.6371 -51.1867 760759.1360 -0.0302 0.1487 PRESSURE: 1207800 8.65381 52.5928 -30.9291 52.5938 34.1731 -49.8058 -30.9287 -49.8052 117.687 GPRESSURE: 1207800 71.4008 -14.2664 -49.8139 -13.2956 82.34 -119.772 44.1411 68.7834 89.9386 PRESSAVG: 1207800 49.1916 -49.3155 -25.4114 -49.3155 -27.9063 -0.261494 -25.4115 -0.261564 10.2315 GPRESSAVG: 1207800 48.897 -48.2184 -22.7519 -49.8695 -28.2475 0.278396 -26.9042 0.632932 9.88274 TIMING: 1207800 CPU: 3885.82, 0.00316226/step Wall: 3885.82, 0.00316226/step, 3.33109 hours remaining, 231.761719 MB of memory in use. ENERGY: 1207800 3914.9898 20696.3878 14449.1568 239.3714 -203535.3113 2496.8967 0.0000 0.0000 52111.3948 -109627.1141 299.4849 -161738.5089 -109260.9321 299.0523 53.5048 81.2265 758480.5892 10.5056 10.1774 PRESSURE: 1208000 -73.9396 -15.2889 158.762 -15.2893 122.944 240.043 158.761 240.043 -143.793 GPRESSURE: 1208000 -68.8172 -44.0638 131.2 18.0932 154.271 194.87 191.279 194.936 -86.1947 PRESSAVG: 1208000 51.9889 -34.8769 26.0105 -34.8769 10.5607 -7.05834 26.0106 -7.05843 -22.6777 GPRESSAVG: 1208000 52.093 -35.3192 24.9538 -33.6375 11.0444 -9.13001 27.573 -6.90147 -23.3554 TIMING: 1208000 CPU: 3886.45, 0.00316961/step Wall: 3886.45, 0.00316961/step, 3.33865 hours remaining, 231.761719 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: 1208000 4025.8205 20669.3101 14510.9148 243.6620 -203594.4039 2464.6559 0.0000 0.0000 52079.7464 -109600.2942 299.3030 -161680.0406 -109239.9133 299.3332 -31.5964 -0.2469 759453.0173 13.2906 13.2607 PRESSURE: 1208200 -27.1857 -64.6801 -36.4543 -64.6804 24.3686 -8.75673 -36.4541 -8.75656 206.427 GPRESSURE: 1208200 87.053 -67.6634 -16.4767 70.8082 6.72908 -33.042 -163.068 -61.6807 186.61 PRESSAVG: 1208200 7.88359 -32.9009 32.2294 -32.901 27.1249 -12.7147 32.2295 -12.7147 -12.3427 GPRESSAVG: 1208200 8.02401 -32.251 31.6746 -33.6627 26.1821 -11.8757 32.324 -13.4089 -11.5242 TIMING: 1208200 CPU: 3887.09, 0.00317987/step Wall: 3887.09, 0.00317987/step, 3.34928 hours remaining, 231.761719 MB of memory in use. ENERGY: 1208200 3965.2165 20572.2034 14512.9995 230.8963 -203733.9154 2774.7998 0.0000 0.0000 52141.6995 -109536.1004 299.6591 -161677.7999 -109167.1539 299.4526 67.8699 93.4639 760437.1730 7.5553 7.5606 LDB: ============= START OF LOAD BALANCING ============== 3899.51 LDB: ============== END OF LOAD BALANCING =============== 3899.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3899.51 LDB: ============= START OF LOAD BALANCING ============== 3899.83 LDB: Largest compute 7031 load 0.034568 is 17.7% of average load 0.195140 LDB: Average compute 0.004388 is 2.2% of average load 0.195140 LDB: TIME 3899.83 LOAD: AVG 0.19514 MAX 0.215055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.426 MB LDB: TIME 3899.83 LOAD: AVG 0.19514 MAX 0.215055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: TIME 3899.83 LOAD: AVG 0.19514 MAX 0.215055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: ============== END OF LOAD BALANCING =============== 3899.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3899.84 PRESSURE: 1208400 456.899 123.459 -65.4357 123.459 -123.328 7.13281 -65.4356 7.13327 -219.443 GPRESSURE: 1208400 315.625 33.1552 -121.623 -21.855 1.23152 18.7582 -63.2508 -51.8289 -108.958 PRESSAVG: 1208400 -59.0263 2.41272 -26.6562 2.41277 13.9904 0.509926 -26.6562 0.509976 16.4967 GPRESSAVG: 1208400 -58.4089 1.03927 -26.6515 1.31401 14.7836 -0.0114582 -26.1865 3.24321 15.8928 TIMING: 1208400 CPU: 3887.73, 0.00323087/step Wall: 3887.73, 0.00323087/step, 3.40283 hours remaining, 231.593750 MB of memory in use. ENERGY: 1208400 4035.4401 20568.2412 14552.5186 242.8726 -203963.9117 2829.8599 0.0000 0.0000 52073.7564 -109661.2228 299.2686 -161734.9792 -109305.8479 299.3067 38.0429 69.2995 760070.5270 -9.5131 -9.2442 PRESSURE: 1208600 -48.7513 -38.3636 99.5446 -38.3638 -523.19 33.2183 99.5446 33.2169 -420.458 GPRESSURE: 1208600 -134.101 -99.5087 61.2904 -107.584 -395.541 36.5458 109.208 -15.2699 -374.607 PRESSAVG: 1208600 -70.5559 -13.0877 -61.3989 -13.0877 35.7953 -17.6351 -61.3988 -17.6352 7.58165 GPRESSAVG: 1208600 -71.7647 -10.9846 -62.5687 -12.2122 35.6504 -17.5965 -59.4432 -20.1923 8.4391 TIMING: 1208600 CPU: 3888.36, 0.00316187/step Wall: 3888.36, 0.00316187/step, 3.32998 hours remaining, 231.593750 MB of memory in use. ENERGY: 1208600 4012.4876 20506.8848 14506.9218 263.4382 -203667.4365 2460.2856 0.0000 0.0000 52177.8391 -109739.5793 299.8668 -161917.4184 -109373.5413 299.2023 -330.7999 -301.4163 759902.7120 -9.0596 -9.2251 PRESSURE: 1208800 17.9222 270.797 283.032 270.796 117.1 -0.662471 283.031 -0.663704 -271.2 GPRESSURE: 1208800 49.8782 176.529 372.6 296.489 104.797 53.6244 254.681 112.72 -200.796 PRESSAVG: 1208800 -30.7532 -9.19629 35.8337 -9.19631 66.5613 -10.8 35.8337 -10.8 15.9619 GPRESSAVG: 1208800 -30.7504 -10.5228 39.3191 -10.1233 65.9435 -9.94146 32.383 -12.5757 16.5212 TIMING: 1208800 CPU: 3888.99, 0.00314826/step Wall: 3888.99, 0.00314826/step, 3.31547 hours remaining, 231.593750 MB of memory in use. ENERGY: 1208800 3932.4784 20392.2691 14540.4511 243.6752 -203580.2974 2558.6918 0.0000 0.0000 52090.7872 -109821.9445 299.3665 -161912.7318 -109443.5054 299.1674 -45.3929 -15.3736 759193.9553 17.2567 17.2381 PRESSURE: 1209000 -72.9424 10.8135 -24.7714 10.813 -41.5097 92.5989 -24.7714 92.5982 -69.0862 GPRESSURE: 1209000 3.99821 -116.186 -53.3503 -8.26884 6.38901 -21.5101 61.5185 238.523 -108.952 PRESSAVG: 1209000 2.77009 -39.8585 -1.03567 -39.8586 33.9734 8.34168 -1.03573 8.34171 8.48707 GPRESSAVG: 1209000 3.69163 -39.8859 -3.15322 -40.0326 33.9892 7.61726 1.30834 13.4922 7.40019 TIMING: 1209000 CPU: 3889.62, 0.00315092/step Wall: 3889.62, 0.00315092/step, 3.31809 hours remaining, 231.593750 MB of memory in use. ENERGY: 1209000 3985.0536 20659.8842 14420.4928 231.2219 -203622.3016 2529.4777 0.0000 0.0000 51891.9772 -109904.1942 298.2239 -161796.1714 -109552.1680 299.0558 -61.1794 -32.8548 757169.3457 15.0769 15.0270 PRESSURE: 1209200 -205.278 196.941 -205.06 196.941 43.8051 -162.714 -205.061 -162.713 236.709 GPRESSURE: 1209200 -137.268 218.174 -189.068 64.0415 100.337 -188.48 -268.187 -189.531 171.841 PRESSAVG: 1209200 44.9883 13.6983 -3.78862 13.6983 -12.0382 4.08561 -3.78866 4.0856 -9.12017 GPRESSAVG: 1209200 44.2487 13.1715 -3.70051 14.0413 -10.8049 3.96284 -4.94289 2.73859 -9.79864 TIMING: 1209200 CPU: 3890.25, 0.0031406/step Wall: 3890.25, 0.0031406/step, 3.30705 hours remaining, 231.593750 MB of memory in use. ENERGY: 1209200 3999.6635 20556.4864 14495.7225 254.5527 -203904.7520 2533.4900 0.0000 0.0000 52099.5311 -109965.3058 299.4167 -162064.8369 -109590.5209 298.8494 25.0786 44.9700 758851.7457 7.9433 7.8817 PRESSURE: 1209400 -211.237 -153.613 228.592 -153.614 240.086 155.997 228.592 155.998 -147.257 GPRESSURE: 1209400 -214.583 -78.7088 212.458 -272.122 253.097 163.111 201.171 26.8509 -78.2734 PRESSAVG: 1209400 -52.5032 9.64479 -35.3697 9.64479 8.49309 -52.9291 -35.3696 -52.9291 -11.1896 GPRESSAVG: 1209400 -52.5295 8.31648 -36.2991 10.8398 7.44202 -52.1185 -35.3384 -54.5678 -10.4379 TIMING: 1209400 CPU: 3890.88, 0.00313371/step Wall: 3890.88, 0.00313371/step, 3.29963 hours remaining, 231.593750 MB of memory in use. ENERGY: 1209400 3938.0608 20617.3924 14451.2449 267.3428 -203245.7937 2324.6027 0.0000 0.0000 51850.4890 -109796.6612 297.9855 -161647.1502 -109433.8880 299.0202 -39.4691 -13.2532 761861.3254 -18.3999 -18.5085 PRESSURE: 1209600 59.5615 103.787 86.7514 103.787 -61.5339 -100.422 86.7515 -100.423 -3.89569 GPRESSURE: 1209600 74.535 123.416 53.121 134.81 -38.3992 3.43542 121.845 -67.6924 50.9257 PRESSAVG: 1209600 -4.92977 13.1152 44.6172 13.1152 20.3526 -11.1866 44.6172 -11.1866 -8.03726 GPRESSAVG: 1209600 -4.78782 15.7178 46.8686 12.9618 19.2352 -10.2406 42.9461 -10.9311 -7.28738 TIMING: 1209600 CPU: 3891.51, 0.00314676/step Wall: 3891.51, 0.00314676/step, 3.31319 hours remaining, 231.593750 MB of memory in use. ENERGY: 1209600 3959.2437 20483.9476 14520.0730 256.6279 -203426.8340 2301.3592 0.0000 0.0000 52113.9279 -109791.6548 299.4995 -161905.5827 -109426.0505 299.0611 -1.9560 29.0205 761791.2954 2.4618 2.3867 PRESSURE: 1209800 -105.214 -32.3987 145.995 -32.3985 432.258 -20.1862 145.995 -20.1865 63.4975 GPRESSURE: 1209800 -17.017 -67.5864 146.158 -78.6503 407.087 -35.034 -26.8555 17.0114 94.6353 PRESSAVG: 1209800 31.8564 -39.7642 77.0591 -39.7642 -33.1675 -49.4886 77.0592 -49.4887 -16.898 GPRESSAVG: 1209800 31.38 -41.2828 74.319 -41.4409 -31.7002 -51.7643 78.6622 -50.0058 -17.8234 TIMING: 1209800 CPU: 3892.13, 0.00313138/step Wall: 3892.13, 0.00313138/step, 3.29682 hours remaining, 231.593750 MB of memory in use. ENERGY: 1209800 4004.5253 20493.1320 14557.4138 252.4105 -203738.8581 2722.8672 0.0000 0.0000 52079.2700 -109629.2392 299.3003 -161708.5093 -109275.9806 299.2824 130.1804 161.5686 760188.5100 -6.0697 -6.0479 PRESSURE: 1210000 -88.9469 30.8122 155.595 30.8128 -105.803 110.809 155.594 110.81 -156.937 GPRESSURE: 1210000 -29.9507 -33.3319 149.021 15.4996 -92.1141 81.6849 -70.2496 0.638557 -152.961 PRESSAVG: 1210000 29.6887 -41.3998 4.48061 -41.3998 -10.8922 -12.1272 4.48057 -12.1272 2.53109 GPRESSAVG: 1210000 29.6374 -40.6709 5.4114 -40.2456 -11.3959 -12.1679 3.27037 -9.70812 2.66167 TIMING: 1210000 CPU: 3892.77, 0.00315725/step Wall: 3892.77, 0.00315725/step, 3.32388 hours remaining, 231.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1210000 4033.8911 20482.1446 14576.8578 238.7600 -203662.4861 2547.8814 0.0000 0.0000 52166.5486 -109616.4027 299.8019 -161782.9512 -109259.6258 299.5041 -117.2289 -91.6754 759516.4670 7.1092 6.9677 PRESSURE: 1210200 -93.1364 199.451 -78.7819 199.451 -4.22442 -243.393 -78.7815 -243.394 105.693 GPRESSURE: 1210200 14.861 120.035 -63.9821 239.372 -40.2762 -200.471 -76.0668 -124.778 132.804 PRESSAVG: 1210200 -5.08214 -20.8537 15.3581 -20.8537 31.5338 -33.0254 15.3581 -33.0254 4.13332 GPRESSAVG: 1210200 -5.91637 -22.7298 16.2175 -19.2104 32.4637 -31.2113 18.0684 -36.1591 3.70863 TIMING: 1210200 CPU: 3893.4, 0.00316979/step Wall: 3893.4, 0.00316979/step, 3.3369 hours remaining, 231.593750 MB of memory in use. ENERGY: 1210200 3927.3679 20650.1083 14501.8979 244.0411 -203530.7713 2534.2368 0.0000 0.0000 52149.5682 -109523.5511 299.7043 -161673.1192 -109161.5320 299.1775 2.7774 35.7964 761217.4509 10.1950 10.0853 PRESSURE: 1210400 -350.91 -71.3004 -135.266 -71.3 42.2323 -35.0667 -135.266 -35.0667 -240.698 GPRESSURE: 1210400 -301.929 -132.76 -128.558 43.4048 82.6343 -57.1023 -120.182 -18.3917 -246.563 PRESSAVG: 1210400 -32.2883 -16.1179 17.7262 -16.1179 52.4707 17.4941 17.7262 17.4941 3.78031 GPRESSAVG: 1210400 -30.564 -14.3334 16.5238 -17.6759 51.228 14.99 16.2991 20.5369 3.04935 TIMING: 1210400 CPU: 3894.04, 0.00320027/step Wall: 3894.04, 0.00320027/step, 3.36882 hours remaining, 231.593750 MB of memory in use. ENERGY: 1210400 4091.9735 20591.0887 14513.5166 237.9423 -203369.2629 2456.3634 0.0000 0.0000 51955.3754 -109523.0031 298.5883 -161478.3784 -109155.4919 299.1232 -183.1255 -155.2859 761946.7945 7.9876 7.9044 PRESSURE: 1210600 -685.96 -33.3199 296.877 -33.3199 28.5091 169.895 296.877 169.895 -436.906 GPRESSURE: 1210600 -522.816 132.941 276.1 80.0719 -58.2473 280.614 308.635 51.3438 -391.39 PRESSAVG: 1210600 -37.2449 17.8288 10.2257 17.8289 33.3623 11.7487 10.2257 11.7486 -29.7338 GPRESSAVG: 1210600 -37.5589 17.0936 9.86497 19.5043 33.0249 13.188 11.1842 10.9337 -29.1966 TIMING: 1210600 CPU: 3894.68, 0.00318861/step Wall: 3894.68, 0.00318861/step, 3.35637 hours remaining, 231.593750 MB of memory in use. ENERGY: 1210600 3950.7090 20524.0253 14491.6105 227.0110 -202932.5851 2221.7183 0.0000 0.0000 51876.9563 -109640.5547 298.1376 -161517.5110 -109279.3115 298.5563 -364.7857 -324.1509 762323.9218 -11.2055 -11.2435 PRESSURE: 1210800 -221.203 45.2295 229.294 45.2289 54.8242 -165.104 229.294 -165.103 -104.924 GPRESSURE: 1210800 -149.731 76.1832 205.77 44.1916 109.206 -201.605 298.498 -159.634 -157.9 PRESSAVG: 1210800 -43.9172 -1.14787 -8.17276 -1.14783 46.8751 42.3375 -8.17274 42.3376 -34.2164 GPRESSAVG: 1210800 -44.1769 -2.19025 -7.01797 -1.67678 47.4555 42.5527 -9.9333 41.6577 -34.7855 TIMING: 1210800 CPU: 3895.31, 0.00318093/step Wall: 3895.31, 0.00318093/step, 3.34811 hours remaining, 231.593750 MB of memory in use. ENERGY: 1210800 3931.4429 20471.6523 14537.3446 255.4890 -203643.4312 2407.0463 0.0000 0.0000 52243.6487 -109796.8074 300.2450 -162040.4561 -109430.9219 298.6133 -90.4341 -66.1416 759924.0561 -10.4195 -10.5023 PRESSURE: 1211000 13.6257 -210.592 361.641 -210.593 37.8326 -86.5267 361.641 -86.5267 -217.43 GPRESSURE: 1211000 -5.21678 -48.0001 314.815 -262.578 27.315 -123.374 342.042 -38.582 -123.052 PRESSAVG: 1211000 -42.3171 2.84969 14.543 2.84972 42.7019 29.0556 14.543 29.0555 6.45432 GPRESSAVG: 1211000 -42.0502 4.77508 15.095 2.34463 41.5441 29.5727 13.5459 28.8528 6.5789 TIMING: 1211000 CPU: 3895.95, 0.00318806/step Wall: 3895.95, 0.00318806/step, 3.35543 hours remaining, 231.593750 MB of memory in use. ENERGY: 1211000 4027.3120 20397.9610 14617.3961 243.3813 -203225.2633 2232.9254 0.0000 0.0000 51851.3676 -109854.9197 297.9905 -161706.2874 -109488.7854 297.9328 -55.3241 -33.6512 761577.4953 2.2797 2.0243 PRESSURE: 1211200 1.43901 -14.3669 20.3582 -14.3674 -269.897 -241.847 20.3585 -241.848 -446.9 GPRESSURE: 1211200 58.4264 -136.586 32.1355 1.66047 -224.353 -309.672 185.775 -151.415 -470.551 PRESSAVG: 1211200 -38.827 -25.349 25.8671 -25.3491 37.8955 -23.0711 25.8671 -23.0711 3.44243 GPRESSAVG: 1211200 -38.3033 -26.0552 24.8128 -26.8344 37.5522 -24.9377 27.5796 -20.7943 3.80557 TIMING: 1211200 CPU: 3896.58, 0.00316161/step Wall: 3896.58, 0.00316161/step, 3.32742 hours remaining, 231.593750 MB of memory in use. ENERGY: 1211200 3951.9941 20463.6552 14521.5824 243.1010 -203123.9025 2124.2758 0.0000 0.0000 52122.8374 -109696.4567 299.5507 -161819.2940 -109338.9821 298.6294 -238.4526 -212.1592 761640.7900 0.8370 1.0182 PRESSURE: 1211400 -56.043 84.8479 -115.102 84.8473 15.1506 -23.6289 -115.102 -23.6292 168.359 GPRESSURE: 1211400 -45.5122 109.626 -22.3164 95.417 95.7768 27.925 -164.847 -59.8621 176.231 PRESSAVG: 1211400 -5.48142 -52.3702 10.1756 -52.3702 -19.5045 45.2991 10.1756 45.2991 19.4747 GPRESSAVG: 1211400 -7.03578 -50.0566 11.2468 -51.1473 -17.624 46.0151 10.5993 44.1916 19.4856 TIMING: 1211400 CPU: 3897.22, 0.003167/step Wall: 3897.22, 0.003167/step, 3.33292 hours remaining, 231.593750 MB of memory in use. ENERGY: 1211400 3993.5794 20362.8089 14554.3609 252.9820 -203559.5084 2668.4504 0.0000 0.0000 51979.2165 -109748.1102 298.7253 -161727.3268 -109396.3173 298.6809 42.4888 75.4986 758842.5807 -1.8371 -1.7248 PRESSURE: 1211600 90.4549 41.993 148.859 41.9933 6.11509 232.342 148.859 232.34 -285.106 GPRESSURE: 1211600 130.166 -42.2675 94.5945 28.1914 -14.6449 267.75 125.162 160.781 -205.819 PRESSAVG: 1211600 46.8893 -20.0742 16.8629 -20.0742 -33.8013 13.9402 16.8629 13.9402 2.49538 GPRESSAVG: 1211600 48.2685 -22.201 16.3719 -19.6407 -34.5288 15.6285 16.5977 13.0882 1.62095 TIMING: 1211600 CPU: 3897.85, 0.00316667/step Wall: 3897.85, 0.00316667/step, 3.3324 hours remaining, 231.593750 MB of memory in use. ENERGY: 1211600 4000.3630 20353.8709 14462.8585 270.0448 -203539.6788 2676.3415 0.0000 0.0000 51877.8110 -109898.3891 298.1425 -161776.2001 -109537.4594 298.7855 -62.8455 -30.0992 760539.4705 5.1945 5.1202 PRESSURE: 1211800 -185.696 -105.77 -187.631 -105.77 -367.05 -74.5148 -187.63 -74.5157 -330.659 GPRESSURE: 1211800 -220.677 -77.1313 -195.325 -118.039 -238.62 -83.6519 -4.95058 90.5866 -323.053 PRESSAVG: 1211800 39.566 -3.8132 38.449 -3.81322 -70.0744 51.315 38.449 51.315 11.6148 GPRESSAVG: 1211800 39.296 -3.22908 39.6244 -3.58854 -70.5218 50.1306 39.6511 52.2835 12.4807 TIMING: 1211800 CPU: 3898.48, 0.00316428/step Wall: 3898.48, 0.00316428/step, 3.3297 hours remaining, 231.593750 MB of memory in use. ENERGY: 1211800 4028.6517 20662.1859 14501.5994 237.6377 -203135.5660 2262.4680 0.0000 0.0000 51858.9318 -109584.0914 298.0340 -161443.0232 -109226.2003 298.8304 -294.4686 -260.7835 763393.0913 -6.2979 -6.2484 PRESSURE: 1212000 100.559 -127.533 -89.8427 -127.533 -121.533 -221.449 -89.843 -221.449 141.085 GPRESSURE: 1212000 177.973 30.8016 -124.967 -95.3307 -90.4642 -228.178 -22.6034 -114.29 114.086 PRESSAVG: 1212000 33.7909 -56.4693 -12.2893 -56.4693 -25.0464 48.0764 -12.2893 48.0764 0.938384 GPRESSAVG: 1212000 34.7521 -55.9194 -13.5214 -55.5076 -25.5784 48.2421 -12.9783 48.4426 -0.0462714 TIMING: 1212000 CPU: 3899.12, 0.00317422/step Wall: 3899.12, 0.00317422/step, 3.33998 hours remaining, 231.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1212000 3949.1146 20552.0298 14555.0475 272.4361 -203567.3153 2462.5016 0.0000 0.0000 52089.4266 -109686.7592 299.3587 -161776.1859 -109323.3783 299.4844 40.0370 67.1983 759631.8965 3.2276 3.0425 PRESSURE: 1212200 -129.823 156.342 -17.5923 156.342 -108.765 66.6847 -17.5925 66.6835 242.941 GPRESSURE: 1212200 49.9831 55.3472 -6.00268 61.1614 -64.1064 59.1882 -31 59.7705 120.89 PRESSAVG: 1212200 48.7513 -31.0774 70.6476 -31.0774 -26.8177 11.2144 70.6477 11.2144 0.243701 GPRESSAVG: 1212200 48.5673 -32.3303 70.9684 -32.8855 -26.0232 11.1391 72.2144 11.3546 0.572275 TIMING: 1212200 CPU: 3899.75, 0.00315311/step Wall: 3899.75, 0.00315311/step, 3.3176 hours remaining, 231.593750 MB of memory in use. ENERGY: 1212200 4029.3564 20449.4123 14538.9269 255.8232 -203727.6009 2664.2845 0.0000 0.0000 52045.8416 -109743.9559 299.1082 -161789.7975 -109388.0670 298.9150 1.4507 35.5888 759792.6023 7.3924 7.7055 LDB: ============= START OF LOAD BALANCING ============== 3912.17 LDB: ============== END OF LOAD BALANCING =============== 3912.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3912.17 LDB: ============= START OF LOAD BALANCING ============== 3912.49 LDB: Largest compute 7055 load 0.033415 is 17.1% of average load 0.195263 LDB: Average compute 0.004389 is 2.2% of average load 0.195263 LDB: TIME 3912.5 LOAD: AVG 0.195263 MAX 0.215634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.082 MB LDB: TIME 3912.5 LOAD: AVG 0.195263 MAX 0.215634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.156 MB LDB: TIME 3912.5 LOAD: AVG 0.195263 MAX 0.215634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.156 MB LDB: ============== END OF LOAD BALANCING =============== 3912.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3912.51 PRESSURE: 1212400 -84.5344 67.6897 -27.7705 67.69 208.206 3.79977 -27.7703 3.79832 264.566 GPRESSURE: 1212400 -41.2865 23.8722 -97.5773 88.6405 254.208 7.53609 -45.7816 -42.2469 262.958 PRESSAVG: 1212400 -50.2378 -7.55487 5.84007 -7.55478 22.5083 -4.14385 5.83994 -4.14381 -25.4696 GPRESSAVG: 1212400 -51.049 -8.87336 5.64668 -5.54393 22.17 -3.15255 5.92477 -5.41771 -23.8971 TIMING: 1212400 CPU: 3900.4, 0.00325265/step Wall: 3900.4, 0.00325265/step, 3.42215 hours remaining, 231.902344 MB of memory in use. ENERGY: 1212400 3976.8356 20396.6842 14421.3240 248.9736 -203419.3002 2580.2357 0.0000 0.0000 51825.8744 -109969.3728 297.8440 -161795.2472 -109600.5398 298.2857 129.4126 158.6267 757975.1653 -17.7330 -17.5920 PRESSURE: 1212600 -225.493 52.9027 25.8472 52.9018 -312.357 -58.2704 25.8472 -58.2704 -253.42 GPRESSURE: 1212600 -172.427 20.6352 85.6561 -43.6667 -331.556 -53.7381 -85.1774 -47.6886 -223.619 PRESSAVG: 1212600 25.7835 -16.011 -10.1034 -16.011 12.2363 1.99346 -10.1033 1.99332 2.88707 GPRESSAVG: 1212600 25.5783 -14.8818 -11.4345 -16.9062 13.0107 0.309064 -11.6839 2.90612 2.21188 TIMING: 1212600 CPU: 3901.04, 0.00318698/step Wall: 3901.04, 0.00318698/step, 3.35288 hours remaining, 232.105469 MB of memory in use. ENERGY: 1212600 4040.4664 20460.6922 14530.8193 252.3242 -203449.2102 2283.9123 0.0000 0.0000 52160.2575 -109720.7382 299.7657 -161880.9957 -109357.4031 298.7889 -263.7566 -242.5339 760075.3570 13.6356 13.6003 PRESSURE: 1212800 -163.797 11.6508 2.73137 11.6515 -729.251 17.9392 2.73168 17.9382 -117.859 GPRESSURE: 1212800 -130.823 68.1432 46.719 116.301 -656.062 35.4161 133.971 45.6589 -146.239 PRESSAVG: 1212800 -19.8751 -23.3348 28.3561 -23.3348 22.7642 12.2648 28.3561 12.2648 0.823443 GPRESSAVG: 1212800 -18.2135 -22.3169 28.8837 -22.9869 22.3185 13.247 29.8947 12.8064 -0.832551 TIMING: 1212800 CPU: 3901.68, 0.00321452/step Wall: 3901.68, 0.00321452/step, 3.38167 hours remaining, 232.308594 MB of memory in use. ENERGY: 1212800 3970.4807 20690.0679 14503.9355 253.2833 -202943.8826 2069.8299 0.0000 0.0000 52002.5159 -109453.7694 298.8592 -161456.2853 -109089.3260 299.3156 -336.9687 -311.0411 761461.0468 1.2375 1.0908 PRESSURE: 1213000 -509.454 -33.9837 23.7296 -33.9844 -163.676 -91.7612 23.7298 -91.7614 -199.874 GPRESSURE: 1213000 -488.08 -173.195 -27.6514 75.8177 -116.714 -129.137 117.826 -34.6705 -175.607 PRESSAVG: 1213000 53.3149 35.702 -23.1185 35.7019 -39.5841 28.614 -23.1185 28.6139 6.96573 GPRESSAVG: 1213000 52.6944 35.7588 -23.1868 34.7186 -39.4767 29.0137 -22.0066 28.1686 7.80741 TIMING: 1213000 CPU: 3902.32, 0.00319084/step Wall: 3902.32, 0.00319084/step, 3.35658 hours remaining, 232.378906 MB of memory in use. ENERGY: 1213000 4072.7708 20427.0728 14518.4271 230.2658 -203390.4354 2290.6934 0.0000 0.0000 52174.2682 -109676.9373 299.8462 -161851.2056 -109315.5289 299.4638 -291.0013 -260.1335 759115.4794 6.8989 7.0084 PRESSURE: 1213200 -304.98 174.202 -187.459 174.201 26.4265 -163.541 -187.459 -163.541 -484.952 GPRESSURE: 1213200 -299.235 146.619 -151.175 171.784 41.269 -170.098 -111.455 -91.4776 -432.971 PRESSAVG: 1213200 6.61641 -8.63039 57.0135 -8.63041 25.693 18.8125 57.0135 18.8125 11.7007 GPRESSAVG: 1213200 5.70462 -10.1182 56.6429 -8.0361 25.6421 19.0716 55.5527 18.0474 12.6756 TIMING: 1213200 CPU: 3902.95, 0.00318054/step Wall: 3902.95, 0.00318054/step, 3.34557 hours remaining, 232.378906 MB of memory in use. ENERGY: 1213200 4054.7895 20446.7114 14457.5008 238.8782 -203322.1638 2486.5646 0.0000 0.0000 52054.3978 -109583.3214 299.1573 -161637.7192 -109217.3465 299.1776 -254.5020 -230.3122 760257.6379 14.6700 14.6741 PRESSURE: 1213400 -18.6042 126.343 176.055 126.343 76.1895 245.728 176.054 245.729 -296.098 GPRESSURE: 1213400 27.131 125.397 109.807 6.79898 72.8379 311.702 141.991 218.688 -247.811 PRESSAVG: 1213400 14.3805 -7.82124 -14.4572 -7.8212 -9.37964 26.4174 -14.4572 26.4174 12.9542 GPRESSAVG: 1213400 15.6361 -7.43539 -14.3122 -8.08303 -10.3556 26.6129 -14.1066 28.4919 12.3267 TIMING: 1213400 CPU: 3903.59, 0.00317015/step Wall: 3903.59, 0.00317015/step, 3.33447 hours remaining, 232.378906 MB of memory in use. ENERGY: 1213400 3977.8886 20421.9920 14527.4424 258.8469 -203081.7182 2345.1268 0.0000 0.0000 51925.3954 -109625.0262 298.4160 -161550.4216 -109266.5759 299.2437 -79.5042 -49.2807 761646.9661 5.9850 5.8691 PRESSURE: 1213600 42.6836 -112.583 37.8942 -112.583 -116.532 -10.7613 37.8939 -10.7634 -289.342 GPRESSURE: 1213600 3.95342 -97.4886 17.9822 -102.342 38.1676 -107.872 -12.7972 -76.6339 -317.111 PRESSAVG: 1213600 -57.3153 -13.747 32.2905 -13.747 -8.59535 15.7486 32.2905 15.7487 5.6262 GPRESSAVG: 1213600 -58.8801 -13.3803 33.7839 -15.3379 -7.90932 15.3312 31.5906 15.1614 6.25816 TIMING: 1213600 CPU: 3904.22, 0.00316225/step Wall: 3904.22, 0.00316225/step, 3.32598 hours remaining, 232.378906 MB of memory in use. ENERGY: 1213600 3943.0198 20402.6712 14507.9349 241.3208 -203031.3403 2524.3355 0.0000 0.0000 51960.9215 -109451.1365 298.6201 -161412.0580 -109090.2122 299.1302 -121.0635 -91.6632 761305.5487 -20.0948 -20.1771 PRESSURE: 1213800 346.927 5.87853 -76.6825 5.87784 -233.333 -68.7225 -76.6815 -68.7219 22.2312 GPRESSURE: 1213800 311.347 68.4302 -149.828 -89.1753 -197.854 -37.5971 -25.94 -0.289015 88.5853 PRESSAVG: 1213800 53.2112 -19.0514 16.1052 -19.0515 -36.0214 -19.1502 16.1053 -19.1502 3.84665 GPRESSAVG: 1213800 54.3781 -19.8268 14.8493 -18.481 -36.4578 -17.9094 16.7402 -19.4882 3.06142 TIMING: 1213800 CPU: 3904.85, 0.00316592/step Wall: 3904.85, 0.00316592/step, 3.32967 hours remaining, 232.378906 MB of memory in use. ENERGY: 1213800 3884.5934 20587.1387 14491.2609 250.5621 -203172.6656 2524.1324 0.0000 0.0000 52006.7056 -109428.2725 298.8833 -161434.9781 -109067.6059 299.3906 45.2750 67.3592 760438.3382 7.0122 6.9939 PRESSURE: 1214000 -47.3626 227.487 -375.373 227.486 295.6 19.6913 -375.373 19.6914 332.081 GPRESSURE: 1214000 63.487 256.934 -407.274 276.379 300.958 -76.6284 -387.385 14.607 306.92 PRESSAVG: 1214000 26.5164 -29.8693 -24.8327 -29.8693 -2.56737 -49.3405 -24.8327 -49.3405 -7.25672 GPRESSAVG: 1214000 26.2261 -29.455 -25.2256 -29.4342 -2.87293 -51.4334 -25.9119 -49.8952 -6.62153 TIMING: 1214000 CPU: 3905.49, 0.00315853/step Wall: 3905.49, 0.00315853/step, 3.32172 hours remaining, 232.378906 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: 1214000 3921.8822 20514.8044 14517.2443 254.9142 -203493.2711 2672.0264 0.0000 0.0000 52130.5337 -109481.8659 299.5949 -161612.3996 -109124.5034 299.6217 193.4393 223.7884 759900.7823 5.5641 5.5772 PRESSURE: 1214200 75.9682 62.989 -2.98168 62.9889 -174.496 -73.5648 -2.98144 -73.5653 406.086 GPRESSURE: 1214200 192.318 -11.1394 -39.8661 61.7893 -140.155 75.6906 -19.8199 -6.88261 333.866 PRESSAVG: 1214200 -13.2007 -43.9261 0.542629 -43.9261 -27.291 -91.4798 0.542636 -91.4798 6.82083 GPRESSAVG: 1214200 -12.9731 -43.8083 2.1299 -45.286 -26.8046 -90.4407 -0.217619 -91.387 5.36925 TIMING: 1214200 CPU: 3906.12, 0.00317108/step Wall: 3906.12, 0.00317108/step, 3.33474 hours remaining, 232.378906 MB of memory in use. ENERGY: 1214200 4002.0172 20551.4896 14429.8649 236.3055 -203337.0654 2532.6556 0.0000 0.0000 52064.2964 -109520.4361 299.2142 -161584.7325 -109157.2752 299.2490 102.5197 128.6762 759433.0984 -11.2236 -11.4695 PRESSURE: 1214400 18.2814 -318.869 137.379 -318.869 -1.89062 -39.9069 137.38 -39.9075 -232.122 GPRESSURE: 1214400 35.1541 -213.265 133.121 -131.876 14.0808 -36.9361 165.165 -74.2732 -156.735 PRESSAVG: 1214400 -15.307 -48.4888 34.6796 -48.4888 13.9609 -60.2796 34.6796 -60.2797 -5.40813 GPRESSAVG: 1214400 -14.6684 -48.6712 34.3458 -47.4771 12.7235 -60.2429 34.6444 -60.2603 -4.39066 TIMING: 1214400 CPU: 3906.75, 0.0031728/step Wall: 3906.75, 0.0031728/step, 3.33637 hours remaining, 232.378906 MB of memory in use. ENERGY: 1214400 3955.4552 20560.0612 14581.1344 232.8698 -203528.8783 2592.5499 0.0000 0.0000 52069.1733 -109537.6343 299.2423 -161606.8076 -109171.6468 299.3308 -71.9104 -35.8333 761211.0949 -2.2514 -2.1119 PRESSURE: 1214600 -312.924 86.6792 152.482 86.6797 -63.8741 208.734 152.482 208.733 195.319 GPRESSURE: 1214600 -317.207 32.4889 224.985 108.446 59.3656 182.244 8.0087 322.314 173.852 PRESSAVG: 1214600 1.57508 -61.9262 1.57531 -61.9262 -10.4397 -80.2864 1.57534 -80.2865 -18.1471 GPRESSAVG: 1214600 -0.0636913 -61.6827 1.16448 -61.4801 -9.30432 -79.2985 1.91164 -80.2529 -17.8065 TIMING: 1214600 CPU: 3907.39, 0.00318621/step Wall: 3907.39, 0.00318621/step, 3.3503 hours remaining, 232.378906 MB of memory in use. ENERGY: 1214600 4018.6148 20599.6652 14523.9477 251.5791 -202954.1885 2344.0341 0.0000 0.0000 52152.5102 -109063.8375 299.7212 -161216.3476 -108705.5324 299.4752 -60.4930 -27.9965 761947.4959 -9.0039 -9.0582 PRESSURE: 1214800 -3.85419 -54.6479 -69.835 -54.649 20.2161 -232.662 -69.8341 -232.661 67.8166 GPRESSURE: 1214800 14.1119 -11.3361 -94.0629 48.6076 -14.4987 -82.6918 66.2858 -209.8 164.309 PRESSAVG: 1214800 -18.858 -34.9215 23.4239 -34.9215 70.3596 -59.0133 23.4239 -59.0133 6.66791 GPRESSAVG: 1214800 -18.9941 -35.1717 23.8048 -34.3801 70.5163 -58.1755 24.838 -60.1612 6.21025 TIMING: 1214800 CPU: 3908.03, 0.00317886/step Wall: 3908.03, 0.00317886/step, 3.3424 hours remaining, 232.378906 MB of memory in use. ENERGY: 1214800 4052.8561 20668.5996 14503.5550 241.9476 -203313.5854 2538.3353 0.0000 0.0000 52208.4690 -109099.8228 300.0428 -161308.2918 -108733.3187 300.3231 28.0595 54.6408 760773.3005 19.3898 19.2442 PRESSURE: 1215000 153.968 -43.8848 -135.739 -43.8839 457.74 -122.756 -135.74 -122.756 -13.2843 GPRESSURE: 1215000 265.335 -45.3568 -186.442 -101.757 451.204 -138.705 32.6442 -212.328 -44.8477 PRESSAVG: 1215000 4.7583 -67.0376 52.506 -67.0377 -24.0568 -18.7898 52.506 -18.7898 22.3484 GPRESSAVG: 1215000 4.04142 -67.9399 52.4815 -69.5544 -23.4637 -21.0818 52.6136 -16.4861 22.3582 TIMING: 1215000 CPU: 3908.66, 0.00316648/step Wall: 3908.66, 0.00316648/step, 3.3292 hours remaining, 232.378906 MB of memory in use. ENERGY: 1215000 4041.7857 20506.2076 14538.2346 239.0884 -203417.3277 2668.5464 0.0000 0.0000 52016.6884 -109406.7767 298.9406 -161423.4650 -109045.9351 300.0586 199.4748 223.8970 760717.5410 1.0166 0.9786 PRESSURE: 1215200 112.926 -93.8281 3.41715 -93.8283 -41.8924 -24.9115 3.41721 -24.9113 -234.271 GPRESSURE: 1215200 51.5137 -83.4673 -15.7267 -191.38 84.3435 35.9663 -7.88868 -66.7657 -193.73 PRESSAVG: 1215200 -14.5385 -22.9009 -40.8028 -22.9009 16.2501 -23.8544 -40.8029 -23.8544 23.3935 GPRESSAVG: 1215200 -15.2087 -23.1863 -41.5259 -20.682 15.7376 -22.5249 -40.5973 -24.6752 24.6034 TIMING: 1215200 CPU: 3909.29, 0.00317242/step Wall: 3909.29, 0.00317242/step, 3.33528 hours remaining, 232.378906 MB of memory in use. ENERGY: 1215200 3997.3724 20605.9210 14485.3019 259.3274 -203575.6392 2708.1915 0.0000 0.0000 52106.0817 -109413.4432 299.4544 -161519.5250 -109053.2366 299.0650 -54.4125 -19.2909 761435.2044 8.3684 8.3775 PRESSURE: 1215400 392.67 130.033 -61.2123 130.034 47.3934 -66.8984 -61.2129 -66.8985 166.539 GPRESSURE: 1215400 384.35 105.39 9.61014 128.828 111.123 -162.845 -187.288 -45.0433 197.314 PRESSAVG: 1215400 61.9785 -47.7657 40.2676 -47.7658 -15.1787 31.9301 40.2676 31.9301 -9.70767 GPRESSAVG: 1215400 61.2514 -48.4185 40.016 -48.7738 -14.4282 32.7241 39.9962 30.5302 -9.302 TIMING: 1215400 CPU: 3909.93, 0.00318025/step Wall: 3909.93, 0.00318025/step, 3.34332 hours remaining, 232.378906 MB of memory in use. ENERGY: 1215400 4078.8339 20455.1564 14479.3079 253.9669 -203410.1309 2590.7843 0.0000 0.0000 52130.3085 -109421.7730 299.5936 -161552.0815 -109058.5211 299.5496 202.2007 230.9289 760975.2733 12.3641 12.5071 PRESSURE: 1215600 178.103 -39.4209 28.8691 -39.4204 -186.319 132.856 28.8679 132.855 152.766 GPRESSURE: 1215600 166.413 -60.5149 -77.3209 -64.6199 -78.8105 173.627 155.088 64.5033 139.01 PRESSAVG: 1215600 4.38966 -58.6918 6.64243 -58.6918 -16.6034 -59.7269 6.6424 -59.7268 -16.4199 GPRESSAVG: 1215600 6.62843 -57.3971 6.15945 -58.9043 -17.0934 -60.8738 8.42273 -60.8377 -17.9809 TIMING: 1215600 CPU: 3910.57, 0.00317689/step Wall: 3910.57, 0.00317689/step, 3.33962 hours remaining, 232.378906 MB of memory in use. ENERGY: 1215600 3914.3767 20606.7822 14480.6014 241.6145 -203083.0851 2314.4220 0.0000 0.0000 51981.0330 -109544.2551 298.7357 -161525.2881 -109181.6218 299.4606 48.1834 75.5377 760915.8479 -9.5446 -9.4819 PRESSURE: 1215800 195.418 -157.81 158.961 -157.81 -150.83 -18.5209 158.962 -18.5207 101.865 GPRESSURE: 1215800 197.957 -171.235 179.04 -185.234 -116.996 -46.7062 120.351 40.4407 147.136 PRESSAVG: 1215800 -4.09694 -85.8068 19.86 -85.8069 -24.9547 -52.3584 19.8599 -52.3584 18.2495 GPRESSAVG: 1215800 -4.51119 -85.9474 20.7139 -85.0084 -24.7828 -51.5723 17.7378 -49.3746 18.2254 TIMING: 1215800 CPU: 3911.2, 0.00317599/step Wall: 3911.2, 0.00317599/step, 3.3385 hours remaining, 232.378906 MB of memory in use. ENERGY: 1215800 3974.0883 20474.7454 14485.4200 222.6085 -203036.4869 2340.5625 0.0000 0.0000 51909.0914 -109629.9707 298.3223 -161539.0621 -109263.6271 299.4581 48.8179 76.0325 759352.4826 -3.6007 -3.6895 PRESSURE: 1216000 -266.668 -153.648 -159.026 -153.648 -79.6082 33.3147 -159.027 33.3139 -357.924 GPRESSURE: 1216000 -191.709 -113.533 -194.214 -111.645 -41.2604 138.038 -116.046 -93.3961 -397.296 PRESSAVG: 1216000 33.2718 -82.0351 -16.9542 -82.0352 -14.7253 15.878 -16.9542 15.878 11.7257 GPRESSAVG: 1216000 33.2705 -82.1678 -18.1865 -82.407 -15.0075 14.5956 -16.4091 16.5272 12.1307 TIMING: 1216000 CPU: 3911.84, 0.00318394/step Wall: 3911.84, 0.00318394/step, 3.34668 hours remaining, 232.378906 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: 1216000 3993.4698 20496.2539 14422.4100 230.6137 -202762.9922 2084.2433 0.0000 0.0000 52083.5401 -109452.4615 299.3248 -161536.0015 -109097.1811 299.3415 -234.7335 -210.0886 759492.0663 10.0907 10.1312 PRESSURE: 1216200 101.191 84.1446 38.7595 84.1443 -159.483 108.897 38.7596 108.896 -255.514 GPRESSURE: 1216200 85.7607 110.804 57.4189 110.689 -131.901 109.707 -13.8089 75.9758 -218.257 PRESSAVG: 1216200 34.8466 -94.6598 4.70004 -94.6599 -52.7355 17.9625 4.70005 17.9625 -41.8575 GPRESSAVG: 1216200 35.6194 -94.6195 6.07808 -96.5714 -53.6592 19.5331 4.71158 16.9217 -41.5793 TIMING: 1216200 CPU: 3912.47, 0.00316522/step Wall: 3912.47, 0.00316522/step, 3.32682 hours remaining, 232.378906 MB of memory in use. ENERGY: 1216200 4007.5133 20462.3194 14470.2603 244.4332 -203275.1098 2654.7513 0.0000 0.0000 52023.7601 -109412.0721 298.9813 -161435.8322 -109055.7419 299.4845 -104.6021 -88.1325 760614.8044 -19.9155 -19.8730 LDB: ============= START OF LOAD BALANCING ============== 3924.9 LDB: ============== END OF LOAD BALANCING =============== 3924.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3924.9 LDB: ============= START OF LOAD BALANCING ============== 3925.22 LDB: Largest compute 7031 load 0.036095 is 18.5% of average load 0.195200 LDB: Average compute 0.004408 is 2.3% of average load 0.195200 LDB: TIME 3925.22 LOAD: AVG 0.1952 MAX 0.214932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.879 MB LDB: TIME 3925.22 LOAD: AVG 0.1952 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: TIME 3925.22 LOAD: AVG 0.1952 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: ============== END OF LOAD BALANCING =============== 3925.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3925.23 PRESSURE: 1216400 387.667 38.2444 50.2276 38.2454 57.0357 34.0856 50.2264 34.0852 156.916 GPRESSURE: 1216400 411.866 23.0121 127.669 70.7492 116.487 11.2275 -46.9957 -78.2132 153.68 PRESSAVG: 1216400 27.8985 -60.6875 -34.0269 -60.6876 -59.3339 11.4922 -34.0269 11.4922 -2.83325 GPRESSAVG: 1216400 26.8979 -59.9488 -35.011 -61.1823 -58.5092 11.3429 -37.7588 7.83353 -2.6476 TIMING: 1216400 CPU: 3913.12, 0.00325845/step Wall: 3913.12, 0.00325845/step, 3.42463 hours remaining, 232.933594 MB of memory in use. ENERGY: 1216400 3975.1193 20415.2346 14466.6549 270.4431 -203106.1235 2469.3483 0.0000 0.0000 52085.0159 -109424.3075 299.3333 -161509.3234 -109058.1795 299.2686 200.5398 227.3446 761099.6008 -11.4229 -11.4196 PRESSURE: 1216600 -297.893 20.0809 -65.1275 20.0815 -33.9093 -96.8593 -65.128 -96.8592 -520.013 GPRESSURE: 1216600 -261.064 7.22854 -90.2076 -26.3306 48.4926 -151.717 -49.1635 -169.223 -548.927 PRESSAVG: 1216600 42.0968 -39.019 25.1708 -39.019 -38.6901 -31.7385 25.1708 -31.7385 25.5163 GPRESSAVG: 1216600 42.0672 -38.6338 24.2394 -37.3175 -38.5009 -30.8463 28.1388 -27.7585 25.204 TIMING: 1216600 CPU: 3913.76, 0.00318734/step Wall: 3913.76, 0.00318734/step, 3.34971 hours remaining, 233.367188 MB of memory in use. ENERGY: 1216600 4071.5616 20540.8140 14490.0457 251.9323 -202924.5035 2234.2179 0.0000 0.0000 51968.1931 -109367.7389 298.6619 -161335.9320 -109008.4611 299.0547 -283.9383 -253.8328 761518.5125 9.6410 9.5901 PRESSURE: 1216800 0.2651 179.941 117.233 179.942 -167.732 -51.4996 117.232 -51.4995 -31.2169 GPRESSURE: 1216800 -5.72066 242.697 124.859 161.907 -110.158 8.94101 159.407 48.9049 22.9288 PRESSAVG: 1216800 10.2444 -45.7721 40.7759 -45.7721 -70.4119 8.35178 40.7759 8.35183 -12.6739 GPRESSAVG: 1216800 10.8951 -47.97 41.5394 -44.0766 -70.98 5.89479 41.9271 9.06644 -12.7075 TIMING: 1216800 CPU: 3914.4, 0.00317526/step Wall: 3914.4, 0.00317526/step, 3.33685 hours remaining, 233.367188 MB of memory in use. ENERGY: 1216800 4058.9998 20476.4571 14523.1054 255.7546 -203920.2952 2841.4391 0.0000 0.0000 52465.6711 -109298.8679 301.5209 -161764.5391 -108925.7287 300.2574 -66.2280 -30.9834 761994.7773 -24.2805 -24.2641 PRESSURE: 1217000 -57.8754 -171.577 58.3074 -171.578 -32.5933 40.4009 58.3074 40.402 86.8199 GPRESSURE: 1217000 76.1647 -222.315 70.5218 -183.56 -114.365 4.50962 -79.4389 -15.5081 124.54 PRESSAVG: 1217000 42.3293 -37.7168 6.30414 -37.7168 -66.5745 5.69858 6.30413 5.69849 1.6419 GPRESSAVG: 1217000 42.9509 -36.9978 6.85681 -40.5541 -67.5184 6.00327 4.42183 3.46537 1.6293 TIMING: 1217000 CPU: 3915.03, 0.00318408/step Wall: 3915.03, 0.00318408/step, 3.34594 hours remaining, 233.367188 MB of memory in use. ENERGY: 1217000 3991.7055 20601.8838 14471.8881 254.8694 -203305.6323 2372.8865 0.0000 0.0000 52376.6871 -109235.7118 301.0095 -161612.3989 -108869.7448 300.5301 -1.2162 28.7798 760789.2943 -7.5344 -7.6461 PRESSURE: 1217200 -134.967 82.2296 -232.642 82.2292 -10.7764 44.7449 -232.643 44.7457 107.633 GPRESSURE: 1217200 -176.965 78.8178 -206.854 3.41741 68.7422 145.615 -122.967 108.138 157.782 PRESSAVG: 1217200 -81.8144 -21.2431 -10.1075 -21.2431 5.24531 4.13169 -10.1074 4.13176 0.344021 GPRESSAVG: 1217200 -82.6809 -20.8127 -11.7236 -19.7217 6.33928 6.04286 -8.5075 5.24358 0.614375 TIMING: 1217200 CPU: 3915.67, 0.00317033/step Wall: 3915.67, 0.00317033/step, 3.33131 hours remaining, 233.566406 MB of memory in use. ENERGY: 1217200 3880.9163 20800.6707 14427.3482 248.1082 -202945.9524 2207.5216 0.0000 0.0000 52070.4044 -109310.9830 299.2493 -161381.3874 -108957.8497 300.1663 -12.7037 16.5199 760436.7563 -25.4084 -25.2424 PRESSURE: 1217400 314.414 121.38 53.1473 121.38 98.4433 -174.774 53.1463 -174.774 262.736 GPRESSURE: 1217400 360.678 51.4594 44.7125 120.394 136.975 -124.928 -76.5075 -199.581 267.557 PRESSAVG: 1217400 31.8649 3.63697 -41.6712 3.63702 -27.9529 22.6231 -41.6712 22.6231 -5.85925 GPRESSAVG: 1217400 30.8851 0.951746 -42.9536 5.2018 -27.9018 21.4686 -41.8227 23.3216 -4.84782 TIMING: 1217400 CPU: 3916.3, 0.00318059/step Wall: 3916.3, 0.00318059/step, 3.34192 hours remaining, 233.566406 MB of memory in use. ENERGY: 1217400 4005.4243 20495.9158 14485.7936 227.1015 -203397.2024 2761.2679 0.0000 0.0000 52089.3175 -109332.3818 299.3580 -161421.6993 -108969.3894 299.6926 225.1978 255.0699 759530.4909 -0.6491 -0.6215 PRESSURE: 1217600 -218.349 -133.754 153.174 -133.754 338.746 172.735 153.174 172.736 175.743 GPRESSURE: 1217600 -179.573 -45.5183 102.058 -94.0377 246.811 144.628 247.898 49.3885 296.275 PRESSAVG: 1217600 2.02459 -39.6989 44.4253 -39.6989 -29.8869 -23.2655 44.4254 -23.2654 42.1009 GPRESSAVG: 1217600 3.48356 -36.4958 46.0091 -43.6845 -30.6311 -23.4552 43.1122 -23.8925 41.5087 TIMING: 1217600 CPU: 3916.94, 0.00316454/step Wall: 3916.94, 0.00316454/step, 3.32487 hours remaining, 233.566406 MB of memory in use. ENERGY: 1217600 4011.2640 20540.2270 14489.6846 263.4615 -203525.0382 2696.4935 0.0000 0.0000 52129.0529 -109394.8546 299.5864 -161523.9075 -109025.1453 299.5974 98.7132 121.1710 760892.8594 4.7462 4.7870 PRESSURE: 1217800 247.234 -63.7941 45.0772 -63.7935 44.329 -95.4574 45.0761 -95.4571 -92.8797 GPRESSURE: 1217800 258.665 7.56863 42.4641 -74.5937 63.8407 -138.388 104.365 -22.194 -35.5767 PRESSAVG: 1217800 28.9749 -30.1261 71.2185 -30.1261 -18.3305 -34.9212 71.2185 -34.9211 -12.1504 GPRESSAVG: 1217800 30.1153 -31.979 71.9165 -27.765 -19.222 -33.9142 71.099 -34.2339 -12.5394 TIMING: 1217800 CPU: 3917.57, 0.00317704/step Wall: 3917.57, 0.00317704/step, 3.33783 hours remaining, 233.566406 MB of memory in use. ENERGY: 1217800 4081.6989 20550.7988 14464.5903 244.7976 -203094.6651 2372.0977 0.0000 0.0000 52166.4822 -109214.1996 299.8015 -161380.6818 -108844.8473 300.1324 66.2279 95.6430 759960.0041 -0.5020 -0.5487 PRESSURE: 1218000 -255.753 148.375 -211.211 148.375 -107.499 249.856 -211.212 249.856 -182.294 GPRESSURE: 1218000 -162.869 66.1946 -194.311 40.7351 -63.5705 324.07 -114.761 129.782 -234.03 PRESSAVG: 1218000 52.0764 -56.1203 -10.6009 -56.1202 -42.972 -0.66239 -10.6009 -0.66251 -0.47355 GPRESSAVG: 1218000 52.0574 -57.2314 -11.1198 -55.6265 -42.1183 -1.78441 -10.4324 -1.35782 -0.9209 TIMING: 1218000 CPU: 3918.2, 0.00317037/step Wall: 3918.2, 0.00317037/step, 3.33065 hours remaining, 233.566406 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: 1218000 3988.2811 20636.3110 14431.8226 251.4457 -203668.6682 2849.8989 0.0000 0.0000 52306.7628 -109204.1461 300.6077 -161510.9089 -108832.4798 300.0300 -181.8488 -153.4898 762071.4021 2.8770 3.0061 PRESSURE: 1218200 -129.764 190.455 93.2879 190.456 -118.899 -20.2836 93.2886 -20.2836 169.826 GPRESSURE: 1218200 -52.0179 176.351 112.199 159.485 -138.843 27.6865 28.0449 -43.1033 181.136 PRESSAVG: 1218200 -2.88462 -34.5853 14.1236 -34.5853 7.04027 -1.11501 14.1236 -1.11508 -0.834672 GPRESSAVG: 1218200 -3.69779 -33.9869 15.1005 -34.6178 7.45252 0.419456 14.1129 -4.49244 -0.868237 TIMING: 1218200 CPU: 3918.83, 0.00314993/step Wall: 3918.83, 0.00314993/step, 3.309 hours remaining, 233.566406 MB of memory in use. ENERGY: 1218200 4033.7508 20775.8819 14432.0403 244.1674 -203147.7665 2285.2338 0.0000 0.0000 52133.5748 -109243.1175 299.6124 -161376.6923 -108869.8099 300.2339 -26.2789 -3.2418 760964.4739 1.1070 0.9622 PRESSURE: 1218400 74.5998 39.8942 -117.317 39.8938 326.059 -42.2683 -117.317 -42.2694 -21.2825 GPRESSURE: 1218400 41.0878 138.867 -34.3754 68.7693 368.638 4.89789 -186.712 -143.429 59.6261 PRESSAVG: 1218400 -51.4928 23.3932 -22.8236 23.3931 88.1192 30.9399 -22.8236 30.94 27.8626 GPRESSAVG: 1218400 -52.028 25.3654 -25.4303 22.1894 88.182 30.1276 -21.5891 33.7841 27.9766 TIMING: 1218400 CPU: 3919.46, 0.00314799/step Wall: 3919.46, 0.00314799/step, 3.30678 hours remaining, 233.566406 MB of memory in use. ENERGY: 1218400 4086.9398 20633.2823 14394.7758 242.2879 -203371.4023 2433.9043 0.0000 0.0000 52404.1180 -109176.0942 301.1672 -161580.2122 -108815.5060 300.3653 126.4589 156.4507 758659.6395 21.4963 21.3769 PRESSURE: 1218600 -72.7459 127.44 16.9238 127.439 -254.718 -74.8838 16.9229 -74.885 121.931 GPRESSURE: 1218600 -84.3981 152.486 -58.4701 213.379 -188.711 -48.2117 47.0006 -196.325 147.068 PRESSAVG: 1218600 -4.30398 15.2247 -76.0981 15.2248 -3.5345 6.16386 -76.0981 6.16384 -5.37607 GPRESSAVG: 1218600 -4.6896 13.6442 -73.4509 15.012 -3.6056 6.68434 -76.6444 5.41676 -5.43441 TIMING: 1218600 CPU: 3920.1, 0.00316947/step Wall: 3920.1, 0.00316947/step, 3.32917 hours remaining, 233.566406 MB of memory in use. ENERGY: 1218600 4001.6891 20698.0229 14447.5560 235.0719 -203063.6464 2310.0908 0.0000 0.0000 52389.2381 -108981.9776 301.0817 -161371.2157 -108618.6613 300.6524 -68.5110 -42.0138 761097.6248 -4.4049 -4.5765 PRESSURE: 1218800 257.58 -116.257 49.6516 -116.256 -18.7964 -96.76 49.6517 -96.76 -100.735 GPRESSURE: 1218800 270.718 -145.872 55.7483 -111.443 17.1846 -90.2186 -74.3432 -145.875 -68.2961 PRESSAVG: 1218800 49.1407 -35.1458 -51.0193 -35.1458 -36.549 7.41662 -51.0193 7.4167 24.017 GPRESSAVG: 1218800 50.4149 -34.8021 -49.8186 -33.6533 -37.2195 8.03757 -54.1297 6.86618 23.5815 TIMING: 1218800 CPU: 3920.73, 0.00314291/step Wall: 3920.73, 0.00314291/step, 3.30111 hours remaining, 233.566406 MB of memory in use. ENERGY: 1218800 4026.8717 20685.9178 14550.8432 237.1545 -203327.3806 2625.7034 0.0000 0.0000 52333.8917 -108866.9984 300.7636 -161200.8900 -108502.8521 300.8704 46.0161 73.2020 760988.5429 12.2029 12.2590 PRESSURE: 1219000 -117.281 83.0447 9.54875 83.0446 -75.8102 43.8801 9.54887 43.8812 29.247 GPRESSURE: 1219000 -129.524 47.913 -22.1586 3.61362 8.76069 33.8448 5.68525 98.7118 40.2305 PRESSAVG: 1219000 16.9464 -27.4997 -21.719 -27.4996 29.8865 36.0187 -21.719 36.0186 -16.7883 GPRESSAVG: 1219000 16.0235 -27.0143 -23.0576 -27.8695 30.8733 34.0525 -17.8394 38.1466 -17.1837 TIMING: 1219000 CPU: 3921.36, 0.0031593/step Wall: 3921.36, 0.0031593/step, 3.31815 hours remaining, 233.566406 MB of memory in use. ENERGY: 1219000 4113.1103 20604.9595 14565.8753 232.9208 -203431.3051 2672.4552 0.0000 0.0000 52165.6797 -109076.3043 299.7969 -161241.9841 -108721.4032 300.6109 -54.6147 -26.8443 761043.1599 10.0148 9.9044 PRESSURE: 1219200 -105.213 26.1661 -209.86 26.1673 78.3057 77.0604 -209.86 77.0601 388.288 GPRESSURE: 1219200 -20.6302 36.4024 -217.845 -6.46526 75.6415 16.8644 -70.9983 -7.92644 413.582 PRESSAVG: 1219200 24.4261 -26.6685 1.85177 -26.6684 16.9646 18.7875 1.85178 18.7876 3.92358 GPRESSAVG: 1219200 25.3026 -25.5894 1.49874 -28.1612 15.7572 18.5096 1.33197 17.1249 4.47228 TIMING: 1219200 CPU: 3921.99, 0.00317778/step Wall: 3921.99, 0.00317778/step, 3.33738 hours remaining, 233.566406 MB of memory in use. ENERGY: 1219200 4034.1408 20654.7774 14416.1649 258.1744 -203450.4821 2701.2079 0.0000 0.0000 52123.7068 -109262.3098 299.5557 -161386.0166 -108895.6085 300.3252 120.4604 156.1977 760009.9152 15.1048 15.1774 PRESSURE: 1219400 5.63921 74.868 -199.77 74.8668 -175.483 -192.559 -199.771 -192.558 -109.931 GPRESSURE: 1219400 50.3688 30.0631 -233.739 118.736 -88.2959 -195.699 -227.009 -101.752 -139.397 PRESSAVG: 1219400 63.6879 -43.7497 2.95301 -43.7496 -24.6817 -20.1852 2.95298 -20.1851 16.2861 GPRESSAVG: 1219400 62.8623 -45.2773 2.99446 -43.7743 -23.108 -18.571 4.22947 -20.9853 15.4621 TIMING: 1219400 CPU: 3922.63, 0.00317663/step Wall: 3922.63, 0.00317663/step, 3.336 hours remaining, 233.566406 MB of memory in use. ENERGY: 1219400 3990.0630 20597.7865 14502.6674 237.2646 -203297.4431 2475.8597 0.0000 0.0000 51995.0049 -109498.7970 298.8160 -161493.8018 -109121.8194 299.7951 -93.2579 -59.1079 762061.7425 18.4308 18.4055 PRESSURE: 1219600 259.889 -32.6676 66.5286 -32.6677 56.0957 150.349 66.5287 150.348 279.161 GPRESSURE: 1219600 353.603 20.8722 99.2091 -98.8071 49.1368 115.09 -13.7395 187.246 278.667 PRESSAVG: 1219600 44.6765 -38.2258 3.31786 -38.2258 -91.3294 -1.45687 3.31783 -1.4569 15.3279 GPRESSAVG: 1219600 44.945 -39.9853 4.31622 -36.478 -92.0142 -2.85328 2.42265 -0.264788 14.8745 TIMING: 1219600 CPU: 3923.26, 0.00317036/step Wall: 3923.26, 0.00317036/step, 3.32923 hours remaining, 233.566406 MB of memory in use. ENERGY: 1219600 3945.3728 20645.5849 14462.8127 256.5742 -203293.6830 2399.0367 0.0000 0.0000 52096.6629 -109487.6388 299.4002 -161584.3017 -109116.7179 299.4533 198.3821 227.1358 760822.3472 -10.4417 -10.7316 PRESSURE: 1219800 51.1698 -80.1643 280.522 -80.1644 -151.103 86.696 280.522 86.6966 -482.509 GPRESSURE: 1219800 125.777 -82.5366 113.306 -92.0605 -105.559 66.7913 151.444 109.861 -502.054 PRESSAVG: 1219800 28.7948 -46.8551 -10.884 -46.8551 -50.8172 5.0451 -10.884 5.04505 -9.90874 GPRESSAVG: 1219800 27.8143 -45.7593 -12.7091 -46.3792 -51.168 6.85836 -9.05017 3.86037 -8.7842 TIMING: 1219800 CPU: 3923.9, 0.00315789/step Wall: 3923.9, 0.00315789/step, 3.31596 hours remaining, 233.566406 MB of memory in use. ENERGY: 1219800 3988.7170 20548.7259 14366.5413 244.9708 -203633.2774 2530.1950 0.0000 0.0000 52339.0335 -109615.0939 300.7931 -161954.1275 -109246.3174 299.8417 -194.1473 -160.6120 759638.0316 -10.6437 -10.7127 PRESSURE: 1220000 -170.236 99.4219 163.972 99.4221 -263.726 219.565 163.972 219.565 -338.485 GPRESSURE: 1220000 -60.9768 -5.50308 163.6 51.2787 -308.76 163.337 30.863 274.877 -320.595 PRESSAVG: 1220000 45.6865 -41.6756 -0.517924 -41.6756 -44.5892 61.9651 -0.517931 61.9652 14.9323 GPRESSAVG: 1220000 45.9833 -42.1024 0.774646 -41.659 -44.5299 61.4587 -2.68232 61.7357 13.4043 TIMING: 1220000 CPU: 3924.53, 0.00316657/step Wall: 3924.53, 0.00316657/step, 3.3249 hours remaining, 233.566406 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: 1220000 3981.4334 20663.6921 14461.4405 256.4830 -203245.4178 2088.3738 0.0000 0.0000 52228.2132 -109565.7817 300.1563 -161793.9949 -109205.8951 299.2956 -257.4825 -230.1108 759599.4537 5.3432 4.9526 PRESSURE: 1220200 171.798 -191.364 -140.407 -191.365 -30.7959 -222.388 -140.407 -222.389 75.9806 GPRESSURE: 1220200 247.127 -139.092 -78.0199 -168.704 -80.1251 -229.921 -112.404 -151.411 133.383 PRESSAVG: 1220200 108.16 -11.2853 25.3433 -11.2853 -77.59 45.7103 25.3433 45.7103 22.2471 GPRESSAVG: 1220200 108.794 -12.6469 25.8036 -11.1153 -79.667 47.7442 25.3207 43.768 23.6843 TIMING: 1220200 CPU: 3925.16, 0.00316868/step Wall: 3925.16, 0.00316868/step, 3.32693 hours remaining, 233.566406 MB of memory in use. ENERGY: 1220200 3997.8293 20519.5694 14427.9007 230.6153 -203505.6387 2557.4610 0.0000 0.0000 52063.7903 -109708.4728 299.2113 -161772.2631 -109347.3428 299.7872 72.3276 100.1285 759401.0212 17.6057 17.6038 LDB: ============= START OF LOAD BALANCING ============== 3937.58 LDB: ============== END OF LOAD BALANCING =============== 3937.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3937.58 LDB: ============= START OF LOAD BALANCING ============== 3937.9 LDB: Largest compute 7030 load 0.034432 is 17.6% of average load 0.195215 LDB: Average compute 0.004392 is 2.2% of average load 0.195215 LDB: TIME 3937.9 LOAD: AVG 0.195215 MAX 0.215532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.109 MB LDB: TIME 3937.91 LOAD: AVG 0.195215 MAX 0.215532 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: TIME 3937.91 LOAD: AVG 0.195215 MAX 0.215532 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: ============== END OF LOAD BALANCING =============== 3937.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3937.91 PRESSURE: 1220400 -118.483 -13.651 -142.498 -13.6521 116.108 172.813 -142.498 172.814 33.8278 GPRESSURE: 1220400 -81.5277 -176.824 -25.4747 62.5682 149.307 103.082 -259.711 225.545 44.6703 PRESSAVG: 1220400 57.0364 -2.40449 15.953 -2.40449 -75.7677 39.8275 15.9529 39.8275 -3.49022 GPRESSAVG: 1220400 56.9162 -0.922306 15.3099 -3.88246 -74.7988 37.9022 17.533 42.3356 -4.29311 TIMING: 1220400 CPU: 3925.81, 0.00321916/step Wall: 3925.81, 0.00321916/step, 3.37976 hours remaining, 233.707031 MB of memory in use. ENERGY: 1220400 4047.6232 20492.2959 14472.8928 238.1324 -203555.4835 2431.0655 0.0000 0.0000 52338.0419 -109535.4318 300.7874 -161873.4738 -109173.0548 299.3036 10.4844 37.4832 759420.7322 -7.4072 -7.3919 PRESSURE: 1220600 -16.0552 -95.8553 -6.13305 -95.8556 -79.6121 199.964 -6.13298 199.965 144.407 GPRESSURE: 1220600 68.5095 -98.1818 19.0965 -166.591 -113.155 272.079 45.7123 109.611 198.175 PRESSAVG: 1220600 15.353 -79.104 -53.3285 -79.1041 -36.8961 -23.5414 -53.3284 -23.5415 3.34404 GPRESSAVG: 1220600 15.5987 -76.9796 -52.9049 -78.5746 -36.1769 -23.2003 -56.1771 -24.5189 3.27333 TIMING: 1220600 CPU: 3926.45, 0.00320195/step Wall: 3926.45, 0.00320195/step, 3.36151 hours remaining, 233.832031 MB of memory in use. ENERGY: 1220600 4058.0049 20315.2788 14544.3425 266.5949 -203458.6434 2442.5763 0.0000 0.0000 52350.0679 -109481.7781 300.8566 -161831.8459 -109117.8351 300.0176 16.2467 51.1766 758688.5753 -6.0664 -5.7683 PRESSURE: 1220800 161.33 79.6454 -72.3019 79.6447 97.0008 267.952 -72.3019 267.953 318.281 GPRESSURE: 1220800 239.476 37.2177 -19.8035 40.5542 79.7345 270.961 -87.5837 443.952 356.501 PRESSAVG: 1220800 -18.2804 -42.4576 -37.5838 -42.4576 -14.4787 -35.1968 -37.5838 -35.1968 4.44083 GPRESSAVG: 1220800 -17.5217 -44.1744 -35.3293 -40.5946 -15.484 -35.5168 -36.67 -35.8574 4.61215 TIMING: 1220800 CPU: 3927.08, 0.00315843/step Wall: 3927.08, 0.00315843/step, 3.31564 hours remaining, 233.902344 MB of memory in use. ENERGY: 1220800 3994.6198 20494.6942 14505.6805 240.0423 -203027.1758 2170.7315 0.0000 0.0000 52182.6107 -109438.7967 299.8942 -161621.4074 -109079.2465 299.9127 192.2040 225.2369 759602.8448 -9.4394 -9.4645 PRESSURE: 1221000 -183.121 -56.6025 19.3065 -56.6026 111.993 -176.344 19.3066 -176.344 36.0624 GPRESSURE: 1221000 -64.4867 -87.5494 -64.3594 -184.244 85.6891 -105.161 42.547 -220.337 30.4559 PRESSAVG: 1221000 -1.10973 -66.8997 -14.4106 -66.8998 20.2468 -0.467067 -14.4105 -0.467082 -11.1986 GPRESSAVG: 1221000 -2.27764 -68.0843 -17.4499 -67.4879 20.389 -0.292867 -13.5347 -0.591004 -10.5012 TIMING: 1221000 CPU: 3927.71, 0.00316014/step Wall: 3927.71, 0.00316014/step, 3.31727 hours remaining, 233.972656 MB of memory in use. ENERGY: 1221000 4020.6177 20537.7914 14502.9019 226.0874 -203399.8982 2468.8493 0.0000 0.0000 52142.8481 -109500.8025 299.6657 -161643.6505 -109130.6092 299.7655 -11.6883 17.2194 758651.1490 2.6462 2.5367 PRESSURE: 1221200 241.22 124.339 -91.7317 124.339 -22.413 76.6673 -91.7331 76.6683 143.221 GPRESSURE: 1221200 281.879 137.825 -188.543 57.3982 6.73961 89.4228 -74.8387 233.907 149.635 PRESSAVG: 1221200 -4.11995 -52.8888 -16.165 -52.8888 -4.35184 39.7562 -16.165 39.7562 12.8992 GPRESSAVG: 1221200 -2.94097 -51.8545 -15.0142 -54.6808 -5.06808 41.266 -17.441 40.0066 12.7371 TIMING: 1221200 CPU: 3928.34, 0.00316308/step Wall: 3928.34, 0.00316308/step, 3.32018 hours remaining, 233.972656 MB of memory in use. ENERGY: 1221200 4059.6442 20425.1364 14443.1426 247.8010 -203813.8873 2811.4531 0.0000 0.0000 52297.4350 -109529.2750 300.5541 -161826.7100 -109170.2186 299.5637 120.6759 146.0847 760265.6232 1.4758 1.5760 PRESSURE: 1221400 397.961 -30.1253 -290.204 -30.1248 -195.018 -31.8882 -290.204 -31.8877 359.796 GPRESSURE: 1221400 395.656 -57.4228 -213.618 -36.7147 -111.425 -107.978 -224.411 70.4903 373.505 PRESSAVG: 1221400 -0.317586 -79.4886 -40.9007 -79.4886 -32.746 -7.37153 -40.9007 -7.37143 -4.10729 GPRESSAVG: 1221400 -1.39324 -78.9854 -41.6143 -78.8126 -31.2216 -8.4243 -38.7892 -6.61665 -4.32508 TIMING: 1221400 CPU: 3928.98, 0.00316226/step Wall: 3928.98, 0.00316226/step, 3.31914 hours remaining, 233.972656 MB of memory in use. ENERGY: 1221400 3960.0868 20472.3788 14395.7519 275.5023 -203545.8614 2606.0787 0.0000 0.0000 52300.1479 -109535.9151 300.5697 -161836.0630 -109171.4055 299.7490 187.5797 219.2451 760928.8799 -12.3903 -12.3133 PRESSURE: 1221600 -233.724 -99.7621 -20.5974 -99.7627 -58.5903 70.7224 -20.5977 70.723 264.97 GPRESSURE: 1221600 -170.018 -111.508 -49.2984 -69.5811 33.151 58.0284 -1.7913 -113.951 206.473 PRESSAVG: 1221600 12.1993 -31.9349 -12.8772 -31.9348 -25.8578 -26.1725 -12.8771 -26.1725 -3.75749 GPRESSAVG: 1221600 11.9852 -31.7779 -12.3835 -31.3114 -26.0967 -25.4216 -13.792 -27.3414 -3.7875 TIMING: 1221600 CPU: 3929.61, 0.00319351/step Wall: 3929.61, 0.00319351/step, 3.35176 hours remaining, 233.972656 MB of memory in use. ENERGY: 1221600 4038.1070 20628.8909 14408.8949 252.5357 -203611.2884 2510.9892 0.0000 0.0000 52460.3809 -109311.4898 301.4905 -161771.8707 -108936.8443 300.5845 -9.1146 23.2019 760347.0454 -5.8053 -5.9663 PRESSURE: 1221800 189.295 -51.9699 74.4518 -51.9697 100.528 126.851 74.4515 126.852 551.28 GPRESSURE: 1221800 314.233 -103.076 21.2905 -112.969 122.221 64.1909 43.8004 166.581 507.727 PRESSAVG: 1221800 11.5897 -9.6716 12.0604 -9.67161 20.956 11.2533 12.0604 11.2535 -6.4062 GPRESSAVG: 1221800 12.6044 -10.806 11.7477 -9.52979 20.2147 11.2622 11.8567 11.7924 -6.34326 TIMING: 1221800 CPU: 3930.25, 0.00320022/step Wall: 3930.25, 0.00320022/step, 3.35863 hours remaining, 233.972656 MB of memory in use. ENERGY: 1221800 3953.6870 20678.9323 14478.1764 228.1880 -203600.7612 2673.6342 0.0000 0.0000 52284.3300 -109303.8133 300.4788 -161588.1433 -108938.2986 300.4521 280.3676 314.7271 759771.1771 8.7132 8.8253 PRESSURE: 1222000 96.5788 -15.7615 -38.1187 -15.7616 191.69 12.2559 -38.119 12.257 -162.365 GPRESSURE: 1222000 181.127 -20.5942 -64.7261 2.41596 227.767 105.11 11.6441 -47.3521 -179.973 PRESSAVG: 1222000 20.9359 -59.9311 -17.8475 -59.9312 -17.9441 21.0654 -17.8476 21.0654 7.78125 GPRESSAVG: 1222000 20.7351 -61.3885 -16.3616 -59.4196 -17.7151 19.8475 -18.57 22.3918 6.98732 TIMING: 1222000 CPU: 3930.89, 0.00318041/step Wall: 3930.89, 0.00318041/step, 3.33766 hours remaining, 233.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1222000 4046.3188 20556.0290 14517.0585 251.5963 -203450.8244 2412.9700 0.0000 0.0000 52328.4697 -109338.3821 300.7324 -161666.8518 -108973.2728 299.7538 41.9681 76.3069 759287.3340 3.5910 3.3358 PRESSURE: 1222200 56.0001 126.421 8.71813 126.42 -64.9657 134.415 8.7181 134.415 420.362 GPRESSURE: 1222200 150.021 84.9892 17.4776 93.8254 -62.0269 145.805 47.9609 132.814 402.094 PRESSAVG: 1222200 24.4014 50.1724 26.9975 50.1724 21.0762 23.9036 26.9976 23.9036 0.981743 GPRESSAVG: 1222200 23.8249 51.0443 25.2876 48.4703 20.5478 25.0649 28.6069 22.8927 1.84858 TIMING: 1222200 CPU: 3931.53, 0.00317642/step Wall: 3931.53, 0.00317642/step, 3.3333 hours remaining, 233.972656 MB of memory in use. ENERGY: 1222200 4023.4085 20718.2498 14500.7973 247.1931 -203417.8109 2357.9969 0.0000 0.0000 52239.9484 -109330.2168 300.2237 -161570.1652 -108973.2226 300.1984 137.1321 163.3628 758074.9594 15.4864 15.4071 PRESSURE: 1222400 -198.507 -84.4086 18.708 -84.4079 101.431 -132.428 18.7079 -132.429 -227.767 GPRESSURE: 1222400 -234.194 -73.2327 79.6001 -119.173 138.463 -127.394 71.0379 -147.858 -153.576 PRESSAVG: 1222400 -31.5566 -42.0548 -26.6207 -42.0548 6.45222 32.8412 -26.6207 32.8411 0.246019 GPRESSAVG: 1222400 -31.9826 -41.2423 -25.3036 -42.8365 7.01915 35.0747 -27.7185 30.7299 -0.442494 TIMING: 1222400 CPU: 3932.16, 0.00316682/step Wall: 3932.16, 0.00316682/step, 3.32305 hours remaining, 233.972656 MB of memory in use. ENERGY: 1222400 3995.2688 20593.9732 14499.9436 240.0224 -203565.8391 2650.4617 0.0000 0.0000 52121.7794 -109464.3899 299.5446 -161586.1694 -109098.8320 299.9329 -108.2807 -83.1023 759819.2272 -8.2861 -8.4686 PRESSURE: 1222600 -298.095 32.6016 33.3404 32.6017 -55.6281 -14.3705 33.3395 -14.3701 -198.814 GPRESSURE: 1222600 -275.508 -35.3081 -3.71122 -73.763 -8.5799 -12.883 139.609 26.7641 -198.607 PRESSAVG: 1222600 2.29303 -24.0806 36.5168 -24.0806 7.06028 8.5447 36.5169 8.54476 13.2531 GPRESSAVG: 1222600 0.275958 -24.2045 34.4851 -23.2798 8.55743 6.35627 37.0514 10.6153 14.0353 TIMING: 1222600 CPU: 3932.79, 0.00315531/step Wall: 3932.79, 0.00315531/step, 3.3108 hours remaining, 233.972656 MB of memory in use. ENERGY: 1222600 3975.4074 20575.3907 14471.0247 254.2052 -203066.0909 2247.8173 0.0000 0.0000 52151.3222 -109390.9233 299.7144 -161542.2455 -109032.0070 299.8432 -184.1789 -160.8983 758834.2119 7.5355 7.6229 PRESSURE: 1222800 -124.137 64.466 63.9318 64.4648 -454.918 42.5095 63.9307 42.5092 277.354 GPRESSURE: 1222800 -0.330215 7.26291 -49.2866 93.8579 -510.312 127.309 67.774 72.8605 310.345 PRESSAVG: 1222800 4.71541 -51.4282 12.6562 -51.4282 33.5148 17.8293 12.6562 17.8293 1.88833 GPRESSAVG: 1222800 6.37304 -50.2531 14.2835 -51.5086 31.8742 18.6577 10.0944 18.5636 2.0631 TIMING: 1222800 CPU: 3933.42, 0.00315578/step Wall: 3933.42, 0.00315578/step, 3.31111 hours remaining, 233.972656 MB of memory in use. ENERGY: 1222800 4071.9334 20424.8089 14429.2465 250.8628 -203034.9511 2230.9610 0.0000 0.0000 52137.7441 -109489.3943 299.6363 -161627.1384 -109133.2537 299.7877 -100.5668 -66.7658 759392.8137 13.3729 13.4368 PRESSURE: 1223000 93.5964 -154.449 54.1124 -154.449 286.85 30.0293 54.113 30.0288 -47.5006 GPRESSURE: 1223000 140.89 -191.456 112.837 -126.408 318.135 91.3971 42.0728 4.3161 -49.4834 PRESSAVG: 1223000 -8.1602 -14.5024 10.3798 -14.5023 16.6278 53.2248 10.3798 53.2248 -6.7699 GPRESSAVG: 1223000 -7.33973 -16.57 8.68205 -13.4533 16.7626 53.4629 11.782 52.588 -6.77645 TIMING: 1223000 CPU: 3934.05, 0.00316079/step Wall: 3934.05, 0.00316079/step, 3.3162 hours remaining, 233.972656 MB of memory in use. ENERGY: 1223000 3995.0316 20763.8848 14462.0693 254.1472 -203706.9487 2640.5230 0.0000 0.0000 52262.2346 -109329.0583 300.3518 -161591.2929 -108958.5902 299.9277 110.9819 136.5140 758695.3615 0.5659 0.8821 PRESSURE: 1223200 464.386 -4.81424 70.5777 -4.81348 9.35873 130.333 70.5776 130.332 204.072 GPRESSURE: 1223200 431.984 -34.9599 113.263 110.399 142.091 166.002 -69.4035 -59.3628 184.289 PRESSAVG: 1223200 -47.6753 -15.6895 -35.8101 -15.6895 52.5835 5.98705 -35.8101 5.98699 10.9332 GPRESSAVG: 1223200 -47.7208 -15.785 -34.4878 -13.6616 51.8901 4.78592 -35.3941 5.15003 11.0578 TIMING: 1223200 CPU: 3934.68, 0.0031479/step Wall: 3934.68, 0.0031479/step, 3.30249 hours remaining, 233.972656 MB of memory in use. ENERGY: 1223200 3894.7543 20498.9896 14506.7701 216.0549 -203476.2231 2524.4423 0.0000 0.0000 52253.6927 -109581.5193 300.3027 -161835.2120 -109212.9728 300.2252 225.9391 252.7878 760138.0040 5.2805 5.0757 PRESSURE: 1223400 -263.412 -20.6432 101.183 -20.6431 -275.96 51.5874 101.183 51.5866 28.0103 GPRESSURE: 1223400 -270.301 -111.246 150.634 64.2532 -108.258 146.514 64.0952 17.5767 -48.5269 PRESSAVG: 1223400 1.18095 -25.1925 -21.0613 -25.1925 -24.5311 8.1689 -21.0613 8.16899 -0.21907 GPRESSAVG: 1223400 0.343169 -23.4934 -20.8524 -25.606 -23.2865 8.94989 -21.7664 8.05163 -0.869103 TIMING: 1223400 CPU: 3935.32, 0.00317262/step Wall: 3935.32, 0.00317262/step, 3.32826 hours remaining, 233.972656 MB of memory in use. ENERGY: 1223400 4059.1084 20711.2988 14459.0099 249.2895 -203656.6496 2535.3614 0.0000 0.0000 52232.1519 -109410.4297 300.1789 -161642.5816 -109048.5069 299.5703 -170.4540 -142.3621 758123.6748 -7.8564 -7.9375 PRESSURE: 1223600 334.618 232.852 -247.972 232.852 47.1343 -135.091 -247.973 -135.091 -117.279 GPRESSURE: 1223600 315.175 189.316 -261.576 237.024 98.2323 -157.544 -215.98 -92.5642 -80.0765 PRESSAVG: 1223600 68.0925 -0.345109 3.84563 -0.345167 -49.7012 17.4915 3.84562 17.4915 -24.0134 GPRESSAVG: 1223600 68.8974 -0.273127 2.63528 -2.99741 -50.5815 16.6429 4.75389 18.8251 -23.1213 TIMING: 1223600 CPU: 3935.95, 0.00316539/step Wall: 3935.95, 0.00316539/step, 3.32049 hours remaining, 233.972656 MB of memory in use. ENERGY: 1223600 3855.1555 20680.0287 14514.0608 241.7705 -203501.4691 2492.5297 0.0000 0.0000 52179.8006 -109538.1233 299.8780 -161717.9239 -109185.0075 299.7168 88.1577 111.1102 758307.7915 -1.8741 -1.6018 PRESSURE: 1223800 299.51 -4.0223 15.0315 -4.02174 22.9445 169.951 15.0318 169.95 348.366 GPRESSURE: 1223800 272.706 -1.00278 -120.591 79.0909 123 82.5742 35.9957 35.0164 378.801 PRESSAVG: 1223800 47.0008 1.51184 -56.4609 1.51188 -5.74332 -19.0427 -56.4609 -19.0427 0.502486 GPRESSAVG: 1223800 46.7871 -0.824937 -57.5465 3.71034 -5.92958 -18.1402 -56.216 -18.6657 0.400577 TIMING: 1223800 CPU: 3936.59, 0.00318271/step Wall: 3936.59, 0.00318271/step, 3.33849 hours remaining, 233.972656 MB of memory in use. ENERGY: 1223800 3983.0954 20408.2114 14484.3420 243.1715 -203552.0557 2648.4251 0.0000 0.0000 52190.4103 -109594.3999 299.9390 -161784.8103 -109230.9382 299.4822 223.6068 258.1691 758290.4007 13.9200 13.7527 PRESSURE: 1224000 -81.381 41.6947 -51.7008 41.6947 -227.02 217.911 -51.7016 217.911 -19.5002 GPRESSURE: 1224000 -31.746 -42.5329 -71.5732 2.68913 -288.984 154.456 66.4438 296.299 83.5028 PRESSAVG: 1224000 -22.3119 -59.1047 -58.1805 -59.1048 32.9383 -12.8861 -58.1805 -12.8861 -6.97784 GPRESSAVG: 1224000 -21.5136 -57.339 -54.9995 -62.6743 32.7962 -13.1553 -58.9742 -14.1775 -8.00278 TIMING: 1224000 CPU: 3937.22, 0.00317225/step Wall: 3937.22, 0.00317225/step, 3.32734 hours remaining, 233.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1224000 3914.9402 20426.1262 14459.1169 250.9771 -203234.8078 2476.1161 0.0000 0.0000 51994.7232 -109712.8082 298.8144 -161707.5313 -109349.7449 299.1595 -109.3005 -79.0758 759468.2385 1.2162 1.0932 PRESSURE: 1224200 111.876 167.128 -25.1567 167.128 -220.315 141.622 -25.1566 141.623 139.623 GPRESSURE: 1224200 166.59 277.817 -0.685568 202.207 -149.618 83.2265 79.8851 116.087 114.127 PRESSAVG: 1224200 36.3963 10.9889 -13.1873 10.9889 -17.3038 -22.2714 -13.1873 -22.2714 0.649099 GPRESSAVG: 1224200 36.0207 10.7218 -15.0571 12.7101 -17.0373 -23.4099 -12.7416 -21.7433 1.43729 TIMING: 1224200 CPU: 3937.86, 0.00317918/step Wall: 3937.86, 0.00317918/step, 3.33443 hours remaining, 233.972656 MB of memory in use. ENERGY: 1224200 3890.4091 20499.9949 14500.9204 264.4651 -203513.1231 2658.8399 0.0000 0.0000 51949.0618 -109749.4319 298.5520 -161698.4937 -109387.2888 299.0117 10.3945 43.6998 760196.4471 6.5805 6.8069 LDB: ============= START OF LOAD BALANCING ============== 3950.28 LDB: ============== END OF LOAD BALANCING =============== 3950.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3950.28 LDB: ============= START OF LOAD BALANCING ============== 3950.6 LDB: Largest compute 7055 load 0.035571 is 18.2% of average load 0.195134 LDB: Average compute 0.004417 is 2.3% of average load 0.195134 LDB: TIME 3950.6 LOAD: AVG 0.195134 MAX 0.212686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.777 MB LDB: TIME 3950.6 LOAD: AVG 0.195134 MAX 0.212686 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.852 MB LDB: TIME 3950.6 LOAD: AVG 0.195134 MAX 0.212686 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.852 MB LDB: ============== END OF LOAD BALANCING =============== 3950.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3950.61 PRESSURE: 1224400 -117.271 31.7954 -107.054 31.7949 -248.976 -133.236 -107.055 -133.236 -276.657 GPRESSURE: 1224400 -145.165 2.5731 -77.8764 34.5576 -245.385 -132.49 -89.3505 -120.171 -174.772 PRESSAVG: 1224400 27.581 -22.8552 12.7561 -22.8552 2.85808 33.8873 12.7561 33.8873 -11.7596 GPRESSAVG: 1224400 26.5743 -23.027 12.3777 -22.9275 4.44194 34.3201 14.5698 33.8751 -12.5384 TIMING: 1224400 CPU: 3938.5, 0.00323196/step Wall: 3938.5, 0.00323195/step, 3.3896 hours remaining, 231.250000 MB of memory in use. ENERGY: 1224400 3967.0666 20492.3254 14515.3779 246.1843 -203315.7731 2377.2969 0.0000 0.0000 51943.5533 -109773.9686 298.5203 -161717.5220 -109416.7589 298.9694 -214.3012 -188.4406 759868.4251 6.2265 6.1593 PRESSURE: 1224600 5.06314 -185.456 128.694 -185.454 86.5366 94.2 128.695 94.2005 105.018 GPRESSURE: 1224600 48.7784 -178.483 40.4984 -243.185 134.733 145.131 32.4945 79.3741 91.4091 PRESSAVG: 1224600 -28.8982 -7.78062 0.863593 -7.78059 11.572 52.6003 0.863555 52.6002 -21.8607 GPRESSAVG: 1224600 -28.0833 -8.72925 1.96133 -8.18446 12.376 51.6032 -0.838791 52.2646 -23.0266 TIMING: 1224600 CPU: 3939.14, 0.00316934/step Wall: 3939.14, 0.00316934/step, 3.32376 hours remaining, 231.250000 MB of memory in use. ENERGY: 1224600 3924.2969 20580.8194 14531.0830 246.7668 -203608.5245 2403.9539 0.0000 0.0000 52233.3654 -109688.2391 300.1859 -161921.6045 -109325.1333 298.9746 65.5391 91.6401 759752.3423 -13.0623 -12.9113 PRESSURE: 1224800 -224.485 -30.9109 148.091 -30.9108 -211.237 198.584 148.092 198.584 -243.567 GPRESSURE: 1224800 -191.638 -105.722 182.515 -53.0898 -137.328 99.9586 141.443 112.228 -254.927 PRESSAVG: 1224800 -20.125 -46.9558 21.1151 -46.9557 -19.3817 1.87648 21.1152 1.87642 1.06214 GPRESSAVG: 1224800 -20.7974 -45.9554 22.3032 -47.3879 -19.8214 2.92432 20.0802 3.2277 2.34497 TIMING: 1224800 CPU: 3939.77, 0.00316826/step Wall: 3939.77, 0.00316826/step, 3.32245 hours remaining, 231.250000 MB of memory in use. ENERGY: 1224800 3970.1177 20577.1872 14546.2728 238.2845 -203017.9032 2251.4020 0.0000 0.0000 51886.4891 -109548.1499 298.1924 -161434.6390 -109182.6657 299.5146 -226.4295 -194.6310 761254.5433 -12.8148 -12.7580 PRESSURE: 1225000 -199.428 81.179 -98.9487 81.18 -292.982 -197.134 -98.9485 -197.134 -340.241 GPRESSURE: 1225000 -213.825 98.6032 -152.708 76.6797 -163.718 -181.22 -3.26616 -16.7967 -353.972 PRESSAVG: 1225000 -19.8765 -2.2428 -12.3845 -2.24277 -9.57072 16.9836 -12.3846 16.9836 2.91002 GPRESSAVG: 1225000 -19.5557 -2.36157 -14.297 0.455469 -9.62014 16.6388 -9.20877 15.4072 2.67455 TIMING: 1225000 CPU: 3940.4, 0.00315006/step Wall: 3940.4, 0.00315006/step, 3.30318 hours remaining, 231.250000 MB of memory in use. ENERGY: 1225000 4048.9238 20424.8541 14551.2905 259.3312 -203269.8660 2192.8700 0.0000 0.0000 52313.8709 -109478.7255 300.6485 -161792.5964 -109103.4048 299.3506 -277.5504 -243.8382 761982.5622 -8.8457 -8.8338 PRESSURE: 1225200 -71.7526 -71.5775 -278.94 -71.5773 -179.004 165.841 -278.94 165.841 248.28 GPRESSURE: 1225200 -70.1382 -74.3474 -298.939 -20.174 -76.3818 120.185 -339.486 209.17 222.003 PRESSAVG: 1225200 -42.148 -11.4393 -14.2835 -11.4393 32.0272 -2.76981 -14.2835 -2.76989 6.55599 GPRESSAVG: 1225200 -42.4115 -11.8367 -14.2938 -13.5973 32.0927 -1.43731 -15.1398 -1.07152 7.00834 TIMING: 1225200 CPU: 3941.03, 0.00315484/step Wall: 3941.03, 0.00315484/step, 3.30802 hours remaining, 231.250000 MB of memory in use. ENERGY: 1225200 3901.1581 20588.3759 14584.3575 236.4010 -203172.2339 2483.2275 0.0000 0.0000 52085.9613 -109292.7525 299.3387 -161378.7138 -108928.2516 299.7591 -0.8253 25.1611 760271.8101 -1.1883 -1.1035 PRESSURE: 1225400 -9.77112 58.5623 -185.286 58.5618 161.264 0.455646 -185.286 0.455835 78.5529 GPRESSURE: 1225400 73.3644 -17.6051 -174.886 88.9105 98.3248 -32.5503 -40.2745 -149.91 157.754 PRESSAVG: 1225400 21.7211 -41.3596 -24.0586 -41.3595 13.7923 15.0057 -24.0586 15.0057 -26.3595 GPRESSAVG: 1225400 23.1267 -41.7509 -24.3632 -41.2226 12.4952 13.8934 -23.9233 14.4915 -26.4483 TIMING: 1225400 CPU: 3941.66, 0.00315175/step Wall: 3941.66, 0.00315175/step, 3.30461 hours remaining, 231.250000 MB of memory in use. ENERGY: 1225400 3998.0240 20484.0888 14568.9357 240.8114 -203534.3260 2668.6794 0.0000 0.0000 52231.6137 -109342.1732 300.1758 -161573.7868 -108976.6109 299.9095 76.6820 109.8144 758352.4469 3.0513 3.0579 PRESSURE: 1225600 195.528 67.2287 -176.627 67.2288 -190.837 -259.258 -176.628 -259.258 -460.542 GPRESSURE: 1225600 198.957 110.712 -199.785 113.342 -67.1192 -283.969 -178.781 -208.82 -498.284 PRESSAVG: 1225600 3.85862 -89.0855 28.8931 -89.0854 -19.0168 -4.45674 28.8931 -4.45674 6.68559 GPRESSAVG: 1225600 3.80113 -89.4298 30.2101 -88.8985 -19.2914 -3.56135 29.1358 -6.4091 7.44743 TIMING: 1225600 CPU: 3942.3, 0.0031646/step Wall: 3942.3, 0.0031646/step, 3.3179 hours remaining, 231.250000 MB of memory in use. ENERGY: 1225600 4034.0067 20542.7633 14555.9811 260.4771 -202777.6840 2040.1314 0.0000 0.0000 51997.8108 -109346.5136 298.8321 -161344.3245 -108984.0008 299.7743 -151.9505 -122.1488 761240.0425 -2.8242 -2.6809 PRESSURE: 1225800 -45.0309 124.976 -163.955 124.975 -208.265 -112.493 -163.954 -112.494 171.116 GPRESSURE: 1225800 60.8348 131.455 -240.113 128.35 -210.133 -83.0523 -124.879 -91.6809 177.145 PRESSAVG: 1225800 43 -61.8365 10.422 -61.8365 -13.044 20.627 10.422 20.6269 -6.19669 GPRESSAVG: 1225800 42.8234 -61.3202 10.2989 -61.4126 -13.8334 21.2952 9.73032 22.6369 -5.9599 TIMING: 1225800 CPU: 3942.93, 0.003159/step Wall: 3942.93, 0.003159/step, 3.31186 hours remaining, 231.250000 MB of memory in use. ENERGY: 1225800 3993.2028 20577.7536 14577.1680 258.8672 -203377.3005 2527.8850 0.0000 0.0000 52245.5711 -109196.8527 300.2560 -161442.4239 -108839.9193 299.9703 -27.3932 9.2824 760461.6666 7.9198 7.6767 PRESSURE: 1226000 11.6813 -170.226 33.6251 -170.226 -259.411 -155.376 33.626 -155.376 -252.43 GPRESSURE: 1226000 -85.5423 -60.2813 -75.4166 -133.115 -130.069 -267.447 9.54516 -93.2278 -199.465 PRESSAVG: 1226000 -5.26198 -21.6545 22.863 -21.6546 38.1909 6.12348 22.863 6.12345 27.1007 GPRESSAVG: 1226000 -5.23834 -21.3658 21.0578 -21.4165 38.8301 4.17705 22.8923 5.10053 26.5139 TIMING: 1226000 CPU: 3943.56, 0.00315097/step Wall: 3943.56, 0.00315097/step, 3.30326 hours remaining, 231.250000 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: 1226000 4016.8073 20665.5454 14575.0074 240.4030 -202915.3697 2191.4736 0.0000 0.0000 52031.5455 -109194.5876 299.0260 -161226.1331 -108836.9447 299.8962 -166.7201 -138.3590 761055.3097 20.0099 20.0352 PRESSURE: 1226200 -129.348 36.6778 18.6027 36.678 -234.558 79.6097 18.6031 79.611 -345.268 GPRESSURE: 1226200 -212.315 128.096 -25.9836 10.8711 -110.118 43.8479 109.546 32.8493 -304.634 PRESSAVG: 1226200 -111.55 -47.3642 37.1282 -47.3641 82.5179 -1.30267 37.1281 -1.30268 -6.62511 GPRESSAVG: 1226200 -111.908 -49.1357 40.2649 -48.5004 83.2769 0.0363932 35.3478 0.446922 -7.02273 TIMING: 1226200 CPU: 3944.19, 0.00315784/step Wall: 3944.19, 0.00315784/step, 3.3103 hours remaining, 231.250000 MB of memory in use. ENERGY: 1226200 3941.6659 20653.2588 14570.2011 251.5783 -203007.1808 2218.2031 0.0000 0.0000 52218.3043 -109153.9695 300.0993 -161372.2738 -108788.3252 300.0716 -236.3915 -209.0220 762645.9669 -11.8858 -11.8848 PRESSURE: 1226400 2.40637 271.649 -18.9765 271.648 33.3993 -53.2885 -18.9779 -53.2898 31.2869 GPRESSURE: 1226400 20.2784 296.15 7.0773 222.573 71.8194 -65.6895 2.18903 -126.279 59.6427 PRESSAVG: 1226400 -42.874 -48.1131 34.8622 -48.1131 23.1355 21.8802 34.8621 21.8803 17.5062 GPRESSAVG: 1226400 -42.4296 -46.2061 33.8076 -49.0864 22.8478 21.8112 35.6861 20.9618 17.7014 TIMING: 1226400 CPU: 3944.82, 0.00317393/step Wall: 3944.82, 0.00317393/step, 3.32698 hours remaining, 231.250000 MB of memory in use. ENERGY: 1226400 3905.1699 20603.4006 14476.1093 234.2395 -203006.9716 2198.9965 0.0000 0.0000 52246.5957 -109342.4601 300.2619 -161589.0558 -108982.8744 299.9343 22.3642 50.5802 760761.1956 -0.7441 -0.6268 PRESSURE: 1226600 59.6831 -188.279 198.843 -188.281 208.486 164.06 198.842 164.061 250.908 GPRESSURE: 1226600 -18.8565 -229.816 120.166 -92.9976 341.53 201.112 193.67 111.206 284.05 PRESSAVG: 1226600 -10.1222 2.21369 61.8401 2.21361 36.194 14.1976 61.8401 14.1975 21.6766 GPRESSAVG: 1226600 -9.94929 0.954954 59.5753 2.86268 35.461 12.7077 63.6598 14.2172 21.1108 TIMING: 1226600 CPU: 3945.46, 0.00316339/step Wall: 3945.46, 0.00316339/step, 3.31576 hours remaining, 231.250000 MB of memory in use. ENERGY: 1226600 4027.0717 20496.4513 14507.7956 227.5742 -203400.6572 2696.6290 0.0000 0.0000 52058.2008 -109386.9346 299.1792 -161445.1355 -109031.9867 299.1230 173.0257 202.2413 760298.7700 15.9161 15.5408 PRESSURE: 1226800 -83.2368 33.661 -4.83025 33.6615 -135.5 -188.377 -4.82988 -188.378 26.6168 GPRESSURE: 1226800 -104.942 166.978 -88.4583 -8.53051 30.4286 -129.874 39.6741 -210.826 -39.225 PRESSAVG: 1226800 -47.9022 -37.1482 47.0696 -37.1482 42.1843 4.14919 47.0696 4.14918 17.0984 GPRESSAVG: 1226800 -49.1185 -33.2563 48.5584 -38.713 43.3359 5.30148 46.3872 4.73965 17.1707 TIMING: 1226800 CPU: 3946.09, 0.00314687/step Wall: 3946.09, 0.00314688/step, 3.29828 hours remaining, 231.250000 MB of memory in use. ENERGY: 1226800 4039.9739 20501.6649 14441.9096 233.3514 -203529.0076 2648.0009 0.0000 0.0000 52057.8847 -109606.2222 299.1774 -161664.1069 -109238.2733 299.3719 -64.0400 -37.9129 760799.1152 3.7935 3.7960 PRESSURE: 1227000 73.4675 -208.319 -185.595 -208.319 -120.168 -66.7524 -185.595 -66.7528 -181.114 GPRESSURE: 1227000 100.664 -109.064 -172.252 -111.18 -130.937 -109.509 -50.3128 -125.487 -117.264 PRESSAVG: 1227000 31.5177 -58.205 23.3426 -58.205 -8.98505 -12.5084 23.3427 -12.5084 6.29164 GPRESSAVG: 1227000 30.6105 -58.9801 24.6817 -57.0831 -7.64525 -12.5527 24.2659 -13.7169 6.28158 TIMING: 1227000 CPU: 3946.71, 0.00314271/step Wall: 3946.71, 0.00314271/step, 3.29374 hours remaining, 231.250000 MB of memory in use. ENERGY: 1227000 3974.2407 20531.7823 14499.4189 249.7743 -203000.2012 2317.7267 0.0000 0.0000 51989.5113 -109437.7470 298.7844 -161427.2583 -109072.7703 299.1888 -75.9383 -49.1791 760643.2352 9.6081 9.7489 PRESSURE: 1227200 -317.512 -166.358 176.398 -166.358 -154.869 63.2725 176.398 63.2734 45.3161 GPRESSURE: 1227200 -228.48 -153.081 103.751 -152.93 -94.7848 103.338 199.651 131.42 -36.1017 PRESSAVG: 1227200 19.4123 -52.4519 31.7783 -52.4519 -18.5673 -7.47119 31.7782 -7.47126 5.18073 GPRESSAVG: 1227200 20.468 -52.48 31.6378 -51.4625 -20.9115 -7.87784 28.8964 -5.77736 6.17857 TIMING: 1227200 CPU: 3947.35, 0.00315532/step Wall: 3947.35, 0.00315532/step, 3.30677 hours remaining, 231.250000 MB of memory in use. ENERGY: 1227200 3993.6579 20534.7455 14524.9026 245.5536 -202762.6850 2038.4704 0.0000 0.0000 52037.3165 -109388.0385 299.0592 -161425.3550 -109030.5630 299.4608 -142.3550 -119.7888 760071.6938 2.0086 1.9117 PRESSURE: 1227400 -19.6113 -104.899 -173.539 -104.899 258.261 30.9924 -173.54 30.9926 462.207 GPRESSURE: 1227400 -12.2072 -117.112 -220.209 -120.18 280.675 14.1932 -113.908 -109.62 526.757 PRESSAVG: 1227400 32.5459 -19.8631 38.3781 -19.8632 -29.7001 -37.4229 38.3781 -37.4229 14.6457 GPRESSAVG: 1227400 33.5951 -21.6337 35.6979 -20.0503 -29.2519 -37.522 39.8436 -37.6454 13.4373 TIMING: 1227400 CPU: 3947.98, 0.00319168/step Wall: 3947.98, 0.00319168/step, 3.34471 hours remaining, 231.250000 MB of memory in use. ENERGY: 1227400 4014.2047 20438.1986 14599.8751 245.3582 -203199.7021 2519.6715 0.0000 0.0000 52031.2094 -109351.1846 299.0241 -161382.3940 -108987.4587 300.0948 233.6190 265.0752 760060.2148 5.8305 5.9268 PRESSURE: 1227600 -267.498 -110.204 18.3883 -110.203 17.7886 -119.306 18.3876 -119.306 -113.036 GPRESSURE: 1227600 -228.973 -142.761 -62.3861 5.62251 30.9595 -29.7832 -82.2639 -156.746 -82.5065 PRESSAVG: 1227600 18.4458 -44.2013 35.8471 -44.2014 -41.3844 -17.5014 35.8471 -17.5014 -34.1295 GPRESSAVG: 1227600 17.4922 -41.1518 35.6748 -43.9137 -41.866 -17.0201 36.1403 -19.9938 -32.4428 TIMING: 1227600 CPU: 3948.62, 0.00318765/step Wall: 3948.62, 0.00318765/step, 3.3403 hours remaining, 231.250000 MB of memory in use. ENERGY: 1227600 4021.2602 20537.3166 14495.9873 255.2319 -203051.0896 2403.4003 0.0000 0.0000 52275.0998 -109062.7934 300.4257 -161337.8932 -108696.7792 300.2513 -120.9151 -93.5068 760117.6480 -19.0227 -18.9388 PRESSURE: 1227800 258.812 -212.248 -197.049 -212.248 -606.713 -308.024 -197.049 -308.024 -536.261 GPRESSURE: 1227800 165.252 -274.234 -180.472 -159.514 -458.098 -256.836 -156.176 -221.524 -510.361 PRESSAVG: 1227800 6.38241 -10.9584 18.2783 -10.9584 -19.4002 -57.4583 18.2784 -57.4582 11.8647 GPRESSAVG: 1227800 5.61625 -13.5437 21.0092 -12.1364 -18.4244 -56.6813 19.5518 -56.121 11.2607 TIMING: 1227800 CPU: 3949.26, 0.00318697/step Wall: 3949.26, 0.00318697/step, 3.33942 hours remaining, 231.250000 MB of memory in use. ENERGY: 1227800 4001.2983 20691.4959 14523.7622 240.8223 -203044.2353 2202.3364 0.0000 0.0000 52167.7992 -109216.7210 299.8091 -161384.5203 -108857.6677 300.7101 -294.7205 -267.7358 761674.6512 -0.3844 -0.5158 PRESSURE: 1228000 242.388 -213.449 203.398 -213.45 -169.12 52.1714 203.399 52.172 -155.465 GPRESSURE: 1228000 288.165 -189.096 99.4289 -236.08 -157.57 14.9675 317.775 59.6061 -123.134 PRESSAVG: 1228000 29.7684 -115.661 55.9708 -115.661 -36.1706 -20.7223 55.9708 -20.7223 0.844094 GPRESSAVG: 1228000 30.357 -114.458 55.3983 -116.229 -37.2001 -21.2182 55.0097 -20.5244 1.25513 TIMING: 1228000 CPU: 3949.89, 0.00317674/step Wall: 3949.89, 0.00317674/step, 3.32852 hours remaining, 231.250000 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: 1228000 4095.6325 20544.6217 14494.8915 229.5499 -202987.6265 2291.5885 0.0000 0.0000 52139.4485 -109191.8940 299.6461 -161331.3425 -108827.7661 300.0267 -27.3991 2.4867 759710.8411 -1.8527 -1.8627 PRESSURE: 1228200 90.4852 37.6134 3.48578 37.6132 -9.41927 190.138 3.48583 190.138 -288.651 GPRESSURE: 1228200 88.5007 -27.5202 50.4715 55.7307 57.4632 188.749 73.6593 307.244 -258.757 PRESSAVG: 1228200 26.7277 -75.8355 38.6298 -75.8355 6.64638 16.2475 38.6298 16.2475 -14.8725 GPRESSAVG: 1228200 26.2858 -75.2745 38.267 -72.6566 7.65852 15.5575 37.9874 17.7186 -15.8065 TIMING: 1228200 CPU: 3950.53, 0.00318143/step Wall: 3950.53, 0.00318143/step, 3.33325 hours remaining, 231.250000 MB of memory in use. ENERGY: 1228200 4015.0848 20440.1400 14620.4664 242.8105 -202841.6506 2105.2358 0.0000 0.0000 51916.9950 -109500.9181 298.3677 -161417.9130 -109141.3572 299.7785 -69.1951 -37.5977 759146.9317 6.1672 6.0459 LDB: ============= START OF LOAD BALANCING ============== 3962.96 LDB: ============== END OF LOAD BALANCING =============== 3962.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3962.96 LDB: ============= START OF LOAD BALANCING ============== 3963.28 LDB: Largest compute 7031 load 0.036728 is 18.8% of average load 0.195247 LDB: Average compute 0.004400 is 2.3% of average load 0.195247 LDB: TIME 3963.28 LOAD: AVG 0.195247 MAX 0.217749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.656 MB LDB: TIME 3963.28 LOAD: AVG 0.195247 MAX 0.217749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.656 MB LDB: TIME 3963.28 LOAD: AVG 0.195247 MAX 0.217749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.656 MB LDB: ============== END OF LOAD BALANCING =============== 3963.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3963.29 PRESSURE: 1228400 -80.551 -74.2725 -248.035 -74.2733 -187.936 124.92 -248.035 124.92 35.8319 GPRESSURE: 1228400 35.4921 -37.4612 -238.667 -135.461 -237.644 74.1879 -170.911 67.6625 51.1688 PRESSAVG: 1228400 -3.80173 -7.31744 -23.8227 -7.31741 -18.9135 2.60851 -23.8226 2.60848 -6.61409 GPRESSAVG: 1228400 -4.60944 -8.6911 -24.1129 -8.29911 -19.2796 3.14079 -24.2039 1.38994 -6.12405 TIMING: 1228400 CPU: 3951.18, 0.00325658/step Wall: 3951.18, 0.00325658/step, 3.41181 hours remaining, 230.429688 MB of memory in use. ENERGY: 1228400 3964.2955 20434.4342 14594.7415 230.3222 -203131.9174 2365.9950 0.0000 0.0000 52060.7761 -109481.3529 299.1940 -161542.1290 -109113.8110 299.2477 -77.5518 -50.3278 758400.8860 -9.7764 -10.0044 PRESSURE: 1228600 -133.948 -14.6233 64.0197 -14.6232 -53.2331 -22.6671 64.0197 -22.668 -538.033 GPRESSURE: 1228600 -136.729 -83.0273 196.431 -120.837 59.0708 -61.8518 103.58 -106.88 -519.843 PRESSAVG: 1228600 -9.96112 -15.0047 9.18099 -15.0047 9.78659 -8.79091 9.18093 -8.79079 4.373 GPRESSAVG: 1228600 -10.4343 -14.6994 11.3528 -16.2258 10.6234 -8.68084 6.92977 -10.1634 4.04415 TIMING: 1228600 CPU: 3951.82, 0.00317981/step Wall: 3951.82, 0.00317982/step, 3.33121 hours remaining, 230.429688 MB of memory in use. ENERGY: 1228600 4022.8489 20597.7981 14476.3930 250.4165 -203241.8300 2266.8046 0.0000 0.0000 52247.9258 -109379.6431 300.2695 -161627.5690 -109004.5922 299.5673 -241.7381 -199.1671 758963.0046 1.3995 1.4111 PRESSURE: 1228800 -86.8524 -13.7704 73.7757 -13.7703 25.7492 -62.0589 73.777 -62.0582 130.069 GPRESSURE: 1228800 -27.0317 -81.5427 64.9965 -62.8408 67.3499 -123.444 135.62 -76.8272 118.731 PRESSAVG: 1228800 25.0168 -79.2941 0.371154 -79.2941 -12.8476 -41.2469 0.371164 -41.2468 -5.0668 GPRESSAVG: 1228800 27.512 -79.0907 -0.783112 -78.1385 -14.2611 -40.9379 4.20519 -39.2677 -6.55614 TIMING: 1228800 CPU: 3952.46, 0.00319388/step Wall: 3952.46, 0.00319388/step, 3.34577 hours remaining, 230.429688 MB of memory in use. ENERGY: 1228800 3962.2444 20521.1850 14537.5963 235.7684 -203324.8530 2499.2468 0.0000 0.0000 52167.4712 -109401.3410 299.8072 -161568.8122 -109032.2269 300.6081 22.9887 53.0163 759000.3531 2.3675 2.2316 PRESSURE: 1229000 -280.293 112.592 -166.164 112.592 -20.8412 215.373 -166.164 215.373 -10.3226 GPRESSURE: 1229000 -302.676 22.1254 -174.64 -69.8875 40.8799 148.517 -297.994 137.047 12.1881 PRESSAVG: 1229000 42.7763 24.9766 -44.693 24.9765 21.5902 -10.6047 -44.693 -10.6048 4.26975 GPRESSAVG: 1229000 40.8619 25.683 -46.8052 23.8345 20.2263 -12.9115 -45.8239 -11.3021 6.99362 TIMING: 1229000 CPU: 3953.09, 0.00318246/step Wall: 3953.09, 0.00318246/step, 3.33363 hours remaining, 230.429688 MB of memory in use. ENERGY: 1229000 3912.6200 20556.5669 14548.6882 250.7765 -202952.5535 2128.8624 0.0000 0.0000 51958.3148 -109596.7247 298.6051 -161555.0395 -109241.0168 299.6412 -103.8190 -83.2027 758467.8100 22.8788 22.6940 PRESSURE: 1229200 52.6332 -4.01898 80.9133 -4.01935 -185.758 -276.29 80.9142 -276.289 -166.257 GPRESSURE: 1229200 -2.52687 -7.55119 -53.6555 8.55026 -70.4117 -93.1711 70.8388 -147.566 -142.088 PRESSAVG: 1229200 41.3698 -46.8075 -27.1069 -46.8076 -42.2544 -5.38455 -27.1069 -5.38461 15.9916 GPRESSAVG: 1229200 42.5817 -47.8239 -24.7558 -46.4371 -42.2227 -3.07449 -29.6045 -6.38152 14.3889 TIMING: 1229200 CPU: 3953.73, 0.00317632/step Wall: 3953.73, 0.00317632/step, 3.32702 hours remaining, 230.429688 MB of memory in use. ENERGY: 1229200 3978.9484 20583.6688 14508.7343 263.8185 -203137.1775 2047.0729 0.0000 0.0000 51886.8890 -109868.0456 298.1947 -161754.9346 -109508.0988 298.9582 -99.7941 -71.6754 757718.4588 5.0357 4.9159 PRESSURE: 1229400 -503.294 -47.6791 153.83 -47.6787 -439.634 -78.1139 153.83 -78.1127 -963.752 GPRESSURE: 1229400 -491.299 -22.4274 29.9228 43.5954 -413.609 -32.9361 278.994 -52.8614 -934.524 PRESSAVG: 1229400 -14.9601 -62.2433 25.1964 -62.2432 -51.1866 36.4287 25.1964 36.4287 12.3711 GPRESSAVG: 1229400 -14.8164 -59.7598 23.8546 -62.3267 -50.5793 37.8532 26.6674 36.0878 11.6211 TIMING: 1229400 CPU: 3954.36, 0.00315219/step Wall: 3954.36, 0.00315219/step, 3.30157 hours remaining, 230.429688 MB of memory in use. ENERGY: 1229400 3977.8487 20718.5937 14538.1836 243.8342 -203544.3348 2081.5327 0.0000 0.0000 51888.0959 -110096.2459 298.2016 -161984.3417 -109743.4225 298.2719 -635.5602 -613.1440 758437.6063 -17.9252 -17.9249 PRESSURE: 1229600 170.089 -111.648 -15.9629 -111.648 334.296 -186.092 -15.9633 -186.092 85.2158 GPRESSURE: 1229600 218.563 -60.4082 5.62968 -44.9668 316.643 -179.526 64.2686 -94.1677 125.888 PRESSAVG: 1229600 -4.24045 -62.3242 -1.8714 -62.3243 49.8531 0.415355 -1.87141 0.415323 -2.4788 GPRESSAVG: 1229600 -5.15384 -65.8902 -1.21034 -62.327 49.6274 -0.784965 -0.699977 -0.664252 -1.5159 TIMING: 1229600 CPU: 3955, 0.00318837/step Wall: 3955, 0.00318837/step, 3.33929 hours remaining, 230.429688 MB of memory in use. ENERGY: 1229600 3949.2181 20376.0303 14582.7451 242.1973 -203817.1218 2663.7111 0.0000 0.0000 52135.0960 -109868.1241 299.6211 -162003.2200 -109509.0727 298.4078 196.5337 220.3650 757074.5212 14.3780 14.3192 PRESSURE: 1229800 -196.44 63.3004 -71.9613 63.3011 73.532 109.028 -71.9617 109.028 47.2737 GPRESSURE: 1229800 -121.447 61.8305 4.57251 -88.1401 54.3986 107.227 -84.7261 32.7991 77.9202 PRESSAVG: 1229800 -20.0385 -14.7782 -14.3889 -14.7782 -11.2444 -30.2784 -14.3889 -30.2785 4.53073 GPRESSAVG: 1229800 -18.0107 -13.0078 -14.3231 -14.9486 -13.0732 -31.5971 -16.3204 -28.8272 4.05188 TIMING: 1229800 CPU: 3955.63, 0.0031877/step Wall: 3955.63, 0.0031877/step, 3.33841 hours remaining, 230.429688 MB of memory in use. ENERGY: 1229800 3945.9507 20446.3761 14542.7061 273.1327 -203508.8787 2372.7850 0.0000 0.0000 52151.1177 -109776.8102 299.7132 -161927.9280 -109405.1842 298.8219 -25.2113 3.6238 757322.3839 -8.9174 -9.0107 PRESSURE: 1230000 81.3817 179.488 95.8651 179.487 24.6139 113.49 95.8656 113.49 23.9545 GPRESSURE: 1230000 55.496 171.146 88.6219 129.598 94.231 7.9776 102.175 119.934 61.5163 PRESSAVG: 1230000 38.6325 23.9192 -72.5245 23.9192 -38.6616 -22.0309 -72.5245 -22.031 -20.4552 GPRESSAVG: 1230000 36.411 24.1572 -73.1676 23.9917 -36.8303 -22.5564 -72.0802 -21.6019 -20.0985 TIMING: 1230000 CPU: 3956.26, 0.00315474/step Wall: 3956.26, 0.00315474/step, 3.30371 hours remaining, 230.429688 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: 1230000 3961.9127 20512.3585 14548.7113 239.4403 -203178.4267 2384.3541 0.0000 0.0000 51913.7977 -109617.8521 298.3493 -161531.6498 -109245.9324 299.3516 43.3167 70.4144 760520.0899 -6.8281 -6.8393 PRESSURE: 1230200 -157.22 -8.45115 185.017 -8.45175 -271.437 95.0214 185.017 95.02 -306.916 GPRESSURE: 1230200 -138.532 28.8074 102.79 58.0806 -288.356 37.9044 250.052 -0.641245 -227.086 PRESSAVG: 1230200 -1.47916 -37.1881 -5.12859 -37.1881 3.62392 7.01006 -5.12858 7.0101 -15.3371 GPRESSAVG: 1230200 -2.30413 -35.5347 -6.03555 -37.2865 4.09921 8.30573 -5.90238 4.15586 -15.007 TIMING: 1230200 CPU: 3956.9, 0.00319797/step Wall: 3956.9, 0.00319797/step, 3.34881 hours remaining, 230.429688 MB of memory in use. ENERGY: 1230200 3960.0447 20624.9806 14502.2837 243.3575 -203110.2397 2141.4707 0.0000 0.0000 51859.6637 -109778.4389 298.0382 -161638.1025 -109417.8358 298.8966 -245.1911 -217.9912 760467.7009 -4.3974 -4.4040 PRESSURE: 1230400 -234.377 51.7145 163.928 51.715 -94.2894 21.4593 163.927 21.4597 73.8865 GPRESSURE: 1230400 -81.0042 80.1337 95.8883 -110.011 -10.9509 93.7769 -21.6748 -109.29 -46.0745 PRESSAVG: 1230400 -10.7983 -13.3205 6.27137 -13.3205 42.7369 3.19311 6.27131 3.19314 -21.7419 GPRESSAVG: 1230400 -9.04321 -14 7.35924 -13.2831 41.0932 2.9198 7.44899 5.59492 -22.1246 TIMING: 1230400 CPU: 3957.54, 0.00318328/step Wall: 3957.54, 0.00318328/step, 3.33325 hours remaining, 230.429688 MB of memory in use. ENERGY: 1230400 3887.7694 20498.4799 14504.5366 245.6515 -203102.2730 2175.4922 0.0000 0.0000 52056.0371 -109734.3062 299.1668 -161790.3434 -109367.9451 298.6610 -84.9265 -46.0099 759735.5253 3.3989 3.3085 PRESSURE: 1230600 -123.544 -119.483 -31.2369 -119.482 126.84 150.009 -31.2365 150.009 220.677 GPRESSURE: 1230600 14.464 -115.683 -151.118 10.3983 91.586 167.947 72.4689 136.073 208.056 PRESSAVG: 1230600 71.9173 -42.6159 40.7923 -42.6159 -81.9747 30.0641 40.7923 30.0642 20.5325 GPRESSAVG: 1230600 71.497 -43.8691 40.2894 -41.5059 -82.4683 30.6824 39.8213 30.5726 21.2988 TIMING: 1230600 CPU: 3958.18, 0.00318006/step Wall: 3958.18, 0.00318006/step, 3.3297 hours remaining, 230.429688 MB of memory in use. ENERGY: 1230600 4001.9644 20504.2672 14541.4587 268.3690 -203280.2869 2457.4559 0.0000 0.0000 51767.6677 -109739.1041 297.5095 -161506.7718 -109385.2757 298.8511 74.6573 104.7022 759854.3517 3.4917 3.4425 PRESSURE: 1230800 15.4118 -242.595 198.138 -242.595 -182.819 -86.8266 198.137 -86.8261 -165.271 GPRESSURE: 1230800 43.7776 -145.09 180.341 -353.416 -177.467 -29.1199 251.175 -107.809 -117.983 PRESSAVG: 1230800 49.2876 -27.2596 12.0684 -27.2597 -54.0218 -23.8784 12.0683 -23.8784 13.5513 GPRESSAVG: 1230800 48.8349 -26.3969 11.4898 -28.6765 -54.3239 -24.0867 15.2656 -25.8958 13.9338 TIMING: 1230800 CPU: 3958.81, 0.0031767/step Wall: 3958.81, 0.0031767/step, 3.326 hours remaining, 230.429688 MB of memory in use. ENERGY: 1230800 3954.6247 20593.6927 14576.0974 267.1331 -203438.3143 2254.3850 0.0000 0.0000 52079.3113 -109713.0701 299.3005 -161792.3814 -109348.0672 298.8870 -110.8927 -83.8906 759787.2140 2.9390 2.8149 PRESSURE: 1231000 -171.152 -24.2169 102.101 -24.2165 -77.2236 27.4161 102.102 27.4156 -438.171 GPRESSURE: 1231000 -88.0638 -111.05 33.1798 -75.7843 -90.3295 -15.5723 41.3999 -3.25284 -391.467 PRESSAVG: 1231000 37.161 42.1859 40.8237 42.1859 -33.8473 73.928 40.8237 73.928 -1.35346 GPRESSAVG: 1231000 36.7209 41.8241 42.288 41.8089 -32.5187 74.127 38.7861 74.8771 -2.34834 TIMING: 1231000 CPU: 3959.44, 0.00316322/step Wall: 3959.44, 0.00316322/step, 3.31172 hours remaining, 230.429688 MB of memory in use. ENERGY: 1231000 3927.4057 20423.6338 14423.7825 245.7254 -203255.1058 2427.5687 0.0000 0.0000 52189.5310 -109617.4586 299.9340 -161806.9896 -109254.5275 298.7801 -228.8490 -189.9534 758272.5890 0.6534 0.6180 PRESSURE: 1231200 375.33 -48.2482 -75.7142 -48.2474 30.5894 56.2536 -75.7141 56.2544 145.243 GPRESSURE: 1231200 346.866 34.2684 -16.5523 -188.173 155.974 132.656 41.7222 64.6931 146.683 PRESSAVG: 1231200 4.29092 -30.7127 54.7178 -30.7126 -30.7566 27.1949 54.7178 27.1949 -18.8464 GPRESSAVG: 1231200 3.64972 -30.1049 53.3991 -31.2585 -29.9529 26.1932 54.6693 27.9336 -18.8934 TIMING: 1231200 CPU: 3960.08, 0.00317435/step Wall: 3960.08, 0.00317435/step, 3.32319 hours remaining, 230.429688 MB of memory in use. ENERGY: 1231200 3948.4631 20571.5773 14513.3267 279.4188 -203431.6474 2517.2048 0.0000 0.0000 51997.9897 -109603.6671 298.8332 -161601.6568 -109241.0785 299.0616 183.7210 216.5076 758251.7229 -15.1040 -15.0655 PRESSURE: 1231400 -159.07 65.0635 221.783 65.0637 -265.94 84.9469 221.782 84.9465 -297.077 GPRESSURE: 1231400 -187.366 65.1672 150.154 73.13 -264.75 46.47 185.157 165.675 -206.654 PRESSAVG: 1231400 19.141 -44.6527 66.9765 -44.6527 -33.8013 21.063 66.9765 21.0629 -11.4561 GPRESSAVG: 1231400 19.7882 -45.2874 67.998 -42.0526 -35.2454 22.3489 69.2346 21.2405 -11.3979 TIMING: 1231400 CPU: 3960.71, 0.00317247/step Wall: 3960.71, 0.00317247/step, 3.32105 hours remaining, 230.429688 MB of memory in use. ENERGY: 1231400 4028.8245 20634.1112 14525.6075 233.5619 -202812.3670 1994.9689 0.0000 0.0000 51740.0462 -109655.2468 297.3508 -161395.2930 -109286.3298 299.3422 -240.6955 -219.5898 760936.2247 -8.7055 -8.9517 PRESSURE: 1231600 38.2883 9.25998 133.4 9.25938 -129.263 140.393 133.4 140.393 -176.105 GPRESSURE: 1231600 24.2241 7.19695 191.958 -39.7262 -47.4966 115.45 92.9573 42.75 -163.218 PRESSAVG: 1231600 26.4119 -53.7681 -3.22066 -53.7681 -19.1503 12.7055 -3.22064 12.7055 -8.51311 GPRESSAVG: 1231600 25.0553 -51.2791 -2.25576 -56.2751 -18.862 11.843 -5.51976 10.2857 -7.88802 TIMING: 1231600 CPU: 3961.35, 0.00317401/step Wall: 3961.35, 0.00317401/step, 3.32249 hours remaining, 230.429688 MB of memory in use. ENERGY: 1231600 4014.0902 20369.4799 14530.8881 241.9935 -203471.6353 2488.3497 0.0000 0.0000 52022.7958 -109804.0381 298.9757 -161826.8339 -109455.8667 298.9196 -89.0264 -62.1636 759038.3410 -0.4172 -0.5649 PRESSURE: 1231800 43.5324 55.2587 -131.231 55.2585 190.576 -14.6696 -131.232 -14.6698 -71.7338 GPRESSURE: 1231800 186.173 106.747 -189.023 5.53327 179.639 -6.92768 -16.3933 97.1016 -120.298 PRESSAVG: 1231800 50.0388 -16.2856 -6.4706 -16.2855 -24.8212 13.4732 -6.47063 13.4732 1.42269 GPRESSAVG: 1231800 51.1506 -18.3577 -8.94466 -14.6512 -25.4791 13.3519 -8.41875 15.1046 0.749184 TIMING: 1231800 CPU: 3961.98, 0.00315996/step Wall: 3961.98, 0.00315996/step, 3.3076 hours remaining, 230.429688 MB of memory in use. ENERGY: 1231800 3956.8802 20419.4152 14583.1072 245.9575 -203305.4558 2363.7132 0.0000 0.0000 51912.3987 -109823.9837 298.3413 -161736.3824 -109447.8954 298.3704 54.1249 81.8377 758299.0977 8.8801 8.8069 PRESSURE: 1232000 231.568 58.2133 47.9473 58.213 186.357 -1.05955 47.9477 -1.05885 -88.7911 GPRESSURE: 1232000 185.438 84.8836 66.3666 120.327 313.572 -36.6589 -75.4693 -50.4978 -92.8147 PRESSAVG: 1232000 27.0841 -39.7194 0.145352 -39.7194 -13.3101 -27.739 0.145321 -27.739 -14.9974 GPRESSAVG: 1232000 26.2894 -40.1948 -0.0274701 -39.9582 -13.2148 -26.4233 4.73141 -28.002 -15.054 TIMING: 1232000 CPU: 3962.61, 0.00315902/step Wall: 3962.61, 0.00315902/step, 3.30644 hours remaining, 230.429688 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: 1232000 3890.2879 20554.0052 14515.7786 244.3269 -203193.3141 2281.1873 0.0000 0.0000 52216.0071 -109491.7212 300.0861 -161707.7283 -109120.5252 298.6088 109.7114 135.3985 758080.5059 -0.4078 -0.6598 PRESSURE: 1232200 133.513 -64.6443 -116.209 -64.6444 47.4295 22.4095 -116.211 22.4085 -198.26 GPRESSURE: 1232200 186.265 -124.606 -138.76 -58.6288 -8.49654 28.8116 -67.2108 5.30458 -119.692 PRESSAVG: 1232200 44.7037 -14.6452 -26.8523 -14.6452 -23.7816 -45.5124 -26.8524 -45.5125 8.78498 GPRESSAVG: 1232200 43.8518 -14.4136 -25.0089 -14.125 -21.9616 -46.9944 -32.2429 -43.7559 7.87196 TIMING: 1232200 CPU: 3963.25, 0.00318449/step Wall: 3963.25, 0.00318449/step, 3.33292 hours remaining, 230.429688 MB of memory in use. ENERGY: 1232200 3946.4524 20502.3868 14589.3765 242.2845 -203148.4746 2452.6932 0.0000 0.0000 51985.3404 -109429.9408 298.7605 -161415.2812 -109066.8959 299.3082 -5.7724 19.3589 759511.6036 9.9024 9.9207 LDB: ============= START OF LOAD BALANCING ============== 3975.68 LDB: ============== END OF LOAD BALANCING =============== 3975.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3975.68 LDB: ============= START OF LOAD BALANCING ============== 3976 LDB: Largest compute 7055 load 0.036103 is 18.5% of average load 0.195211 LDB: Average compute 0.004405 is 2.3% of average load 0.195211 LDB: TIME 3976 LOAD: AVG 0.195211 MAX 0.213791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.105 MB LDB: TIME 3976 LOAD: AVG 0.195211 MAX 0.213791 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: TIME 3976 LOAD: AVG 0.195211 MAX 0.213791 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.309 MB LDB: ============== END OF LOAD BALANCING =============== 3976 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.01 PRESSURE: 1232400 -20.913 -109.256 97.0461 -109.256 -80.8955 155.776 97.0468 155.776 -103.807 GPRESSURE: 1232400 74.6482 -104.471 90.788 -99.0927 -68.7783 68.166 16.5871 196.836 -98.3574 PRESSAVG: 1232400 97.4338 -13.0228 41.6887 -13.0227 -22.0234 -15.7995 41.6888 -15.7995 5.7566 GPRESSAVG: 1232400 97.4403 -14.4553 41.3845 -12.1709 -22.4667 -15.5256 45.1726 -16.0375 5.9903 TIMING: 1232400 CPU: 3963.9, 0.00326261/step Wall: 3963.9, 0.00326261/step, 3.4145 hours remaining, 231.390625 MB of memory in use. ENERGY: 1232400 4041.5140 20577.3716 14527.1554 227.8698 -203090.7618 2210.2544 0.0000 0.0000 52336.5584 -109170.0382 300.7789 -161506.5966 -108812.3301 300.0147 -68.5384 -30.8292 758208.8561 27.0557 26.9880 PRESSURE: 1232600 -119.784 -38.2341 61.007 -38.2341 142.24 87.1413 61.0063 87.1408 -145.152 GPRESSURE: 1232600 -52.0885 -112.615 49.4031 -4.51549 136.353 87.5039 -18.967 71.8711 -134.116 PRESSAVG: 1232600 -12.4067 23.2062 31.1681 23.2062 35.6978 46.8762 31.1681 46.8761 15.2088 GPRESSAVG: 1232600 -12.6854 23.8369 32.8619 23.7845 35.3991 46.3435 28.4419 47.2007 16.2916 TIMING: 1232600 CPU: 3964.54, 0.00319787/step Wall: 3964.54, 0.00319787/step, 3.34657 hours remaining, 231.593750 MB of memory in use. ENERGY: 1232600 3942.5784 20654.0315 14588.3514 239.2686 -203263.0797 2238.9409 0.0000 0.0000 52286.0066 -109313.9023 300.4884 -161599.9089 -108949.4518 300.5209 -40.8987 -16.6172 757990.4998 12.8333 13.0017 PRESSURE: 1232800 -12.5247 -26.5285 22.6902 -26.5289 10.7196 -298.589 22.6911 -298.588 -188.779 GPRESSURE: 1232800 11.6582 -8.57082 71.4382 72.1492 47.0098 -227.323 -16.8263 -239.892 -174.106 PRESSAVG: 1232800 -9.5578 -14.9738 22.6124 -14.9738 10.5131 -7.54508 22.6123 -7.54514 -3.27488 GPRESSAVG: 1232800 -9.57333 -14.4215 20.916 -16.4241 11.1995 -7.01666 24.7006 -6.39838 -3.69038 TIMING: 1232800 CPU: 3965.17, 0.0031532/step Wall: 3965.17, 0.0031532/step, 3.29965 hours remaining, 231.792969 MB of memory in use. ENERGY: 1232800 3984.2016 20435.1986 14579.7677 254.2553 -203194.1550 2306.2001 0.0000 0.0000 52145.2001 -109489.3315 299.6792 -161634.5316 -109117.0609 300.2407 -63.5282 -38.4792 759257.4509 -0.7732 -0.6881 PRESSURE: 1233000 145.609 -45.6973 31.5295 -45.697 -328.196 199.63 31.5298 199.631 200.696 GPRESSURE: 1233000 94.2091 -26.1998 37.0001 89.3415 -147.336 295.659 143.606 182.255 156.254 PRESSAVG: 1233000 -14.4754 -11.5099 38.9606 -11.5098 21.0332 28.6026 38.9606 28.6026 11.3416 GPRESSAVG: 1233000 -14.3646 -11.0762 40.1109 -9.74771 21.2144 28.4469 36.7063 26.5255 11.4174 TIMING: 1233000 CPU: 3965.8, 0.00314939/step Wall: 3965.8, 0.00314939/step, 3.29549 hours remaining, 231.792969 MB of memory in use. ENERGY: 1233000 3971.2920 20580.9218 14511.6705 251.5326 -203160.9434 1987.3612 0.0000 0.0000 52281.1970 -109576.9682 300.4608 -161858.1652 -109215.8596 299.5641 6.0364 34.3756 760976.2702 5.9665 6.0891 PRESSURE: 1233200 45.6805 49.9093 67.4946 49.9079 74.5854 244.959 67.4947 244.959 69.6511 GPRESSURE: 1233200 46.0215 30.4967 87.3659 2.73055 115.938 208.862 58.9707 269.846 130.737 PRESSAVG: 1233200 19.932 -48.962 9.64254 -48.962 -29.2836 -56.1124 9.6426 -56.1123 -5.3865 GPRESSAVG: 1233200 19.957 -49.6175 8.91193 -51.0879 -29.9986 -55.4287 10.8468 -55.5464 -4.95435 TIMING: 1233200 CPU: 3966.43, 0.00314507/step Wall: 3966.43, 0.00314507/step, 3.29079 hours remaining, 231.792969 MB of memory in use. ENERGY: 1233200 3971.0378 20510.6462 14562.7763 234.4466 -203432.2860 2441.7553 0.0000 0.0000 52168.2054 -109543.4184 299.8114 -161711.6238 -109174.0892 299.2298 63.3057 97.5654 760178.8220 -4.9127 -4.9987 PRESSURE: 1233400 -227.488 224.422 -109.476 224.422 -172.071 42.9142 -109.476 42.9134 -181.39 GPRESSURE: 1233400 -141.906 216.389 -152.043 198.801 -202.783 -11.7932 -1.98132 38.0108 -160.874 PRESSAVG: 1233400 0.561706 22.5899 -33.9621 22.5899 0.742981 -35.0758 -33.9621 -35.0758 26.3906 GPRESSAVG: 1233400 0.440957 23.4175 -34.9125 22.5877 0.935004 -35.1131 -33.1431 -36.1142 26.2363 TIMING: 1233400 CPU: 3967.06, 0.00313501/step Wall: 3967.06, 0.00313501/step, 3.28009 hours remaining, 231.792969 MB of memory in use. ENERGY: 1233400 3928.0370 20546.9829 14538.7000 243.3804 -202965.4385 2162.9712 0.0000 0.0000 52012.5954 -109532.7715 298.9171 -161545.3670 -109168.5785 299.4114 -193.6494 -168.5209 761661.3323 9.2318 9.2041 PRESSURE: 1233600 -50.192 -150.558 -166.074 -150.558 36.8038 146.866 -166.073 146.866 62.4945 GPRESSURE: 1233600 -12.0863 -196.219 -167.693 -187.465 75.4917 122.664 -0.410132 140.627 63.9647 PRESSAVG: 1233600 -11.3793 14.4895 -9.69743 14.4895 -17.3356 3.90205 -9.69744 3.90206 -13.534 GPRESSAVG: 1233600 -9.9844 13.8406 -10.6545 14.9934 -19.1744 3.78832 -8.18416 3.89307 -13.166 TIMING: 1233600 CPU: 3967.69, 0.00315391/step Wall: 3967.69, 0.00315391/step, 3.29969 hours remaining, 231.792969 MB of memory in use. ENERGY: 1233600 4019.0606 20635.9555 14483.8624 225.5351 -203685.3614 2627.7235 0.0000 0.0000 51975.2046 -109718.0198 298.7022 -161693.2244 -109372.4612 299.1041 16.3688 42.4567 758854.5122 -14.0830 -14.1083 PRESSURE: 1233800 -9.24867 25.3992 62.2096 25.3993 -306.292 67.1019 62.2096 67.1016 -31.6311 GPRESSURE: 1233800 -55.7681 132.724 32.6929 32.593 -201.301 41.9421 -54.9507 4.75697 3.85806 PRESSAVG: 1233800 -17.2052 1.47816 0.750993 1.47821 48.0626 43.4159 0.75099 43.4159 -0.929254 GPRESSAVG: 1233800 -18.2252 4.67102 2.62829 -0.0881078 50.2849 42.7079 -2.28545 43.2273 -2.10949 TIMING: 1233800 CPU: 3968.32, 0.00316053/step Wall: 3968.32, 0.00316053/step, 3.30644 hours remaining, 231.792969 MB of memory in use. ENERGY: 1233800 4049.8125 20645.6927 14565.4789 238.8082 -203494.6844 2560.0323 0.0000 0.0000 51765.3267 -109669.5332 297.4960 -161434.8599 -109320.9327 298.7552 -115.7240 -84.4038 759051.6903 9.9761 9.9834 PRESSURE: 1234000 385.615 -149.637 -9.7724 -149.637 -49.9607 -7.10117 -9.7726 -7.10222 -280.866 GPRESSURE: 1234000 360.103 -39.7826 -32.6767 -89.5052 49.4959 93.3733 -38.8698 -29.2693 -281.6 PRESSAVG: 1234000 -10.7641 30.5404 40.8895 30.5404 23.8194 31.9575 40.8896 31.9575 22.8378 GPRESSAVG: 1234000 -11.1545 27.0941 43.2783 31.5906 22.9624 32.7144 41.229 31.9234 24.5258 TIMING: 1234000 CPU: 3968.95, 0.00315989/step Wall: 3968.95, 0.00315989/step, 3.3056 hours remaining, 231.792969 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: 1234000 4004.5519 20480.9480 14530.2249 252.7532 -203717.2609 2534.6466 0.0000 0.0000 52150.5392 -109763.5972 299.7099 -161914.1364 -109397.6764 299.2141 18.2627 42.6663 759839.1880 11.9644 12.1112 PRESSURE: 1234200 81.8206 -56.802 -43.2981 -56.802 107.36 -189.658 -43.2989 -189.658 -49.217 GPRESSURE: 1234200 99.773 -200.786 -33.5838 -57.1142 173.314 -233.736 -138.927 -108.547 -45.8564 PRESSAVG: 1234200 31.0057 -47.9945 13.9596 -47.9945 -0.388597 -41.4694 13.9595 -41.4693 2.40131 GPRESSAVG: 1234200 31.3166 -48.4869 10.5532 -46.5409 -0.000494964 -41.7508 15.0069 -41.9577 1.29052 TIMING: 1234200 CPU: 3969.6, 0.00321664/step Wall: 3969.6, 0.00321664/step, 3.36478 hours remaining, 231.792969 MB of memory in use. ENERGY: 1234200 4020.1331 20490.1936 14571.5112 237.4165 -204038.4725 2695.2125 0.0000 0.0000 52085.3583 -109938.6473 299.3353 -162024.0056 -109567.9295 298.7777 46.6545 75.7437 760091.1094 11.0061 10.8689 PRESSURE: 1234400 73.7172 59.0939 -60.4192 59.0941 57.2614 160.488 -60.4196 160.489 391.141 GPRESSURE: 1234400 67.544 162.727 -147.243 99.7503 141.143 200.959 15.0104 117.421 373.617 PRESSAVG: 1234400 57.7392 -57.9386 5.19025 -57.9386 -28.8728 0.919893 5.19025 0.919881 22.8186 GPRESSAVG: 1234400 58.0479 -59.2924 3.57656 -59.1945 -29.1779 3.14155 4.66934 2.8287 23.2869 TIMING: 1234400 CPU: 3970.24, 0.00320269/step Wall: 3970.24, 0.00320269/step, 3.35001 hours remaining, 231.792969 MB of memory in use. ENERGY: 1234400 4077.1178 20629.9429 14509.9580 257.2824 -204014.9671 2835.0891 0.0000 0.0000 51976.8124 -109728.7644 298.7115 -161705.5768 -109367.8638 298.9760 174.0400 194.1014 760341.4731 17.2283 17.3857 PRESSURE: 1234600 190.705 31.7579 54.8608 31.7584 -22.5362 -75.7268 54.8611 -75.7278 -108.114 GPRESSURE: 1234600 247.506 -34.8959 -25.855 56.4775 -28.3543 -47.3617 195.923 -96.5381 -82.5302 PRESSAVG: 1234600 -19.4308 25.8683 44.8135 25.8683 50.0849 -37.6475 44.8136 -37.6475 -27.3617 GPRESSAVG: 1234600 -19.569 27.0021 46.9513 25.6141 49.5976 -40.7448 44.8348 -36.837 -27.0046 TIMING: 1234600 CPU: 3970.87, 0.00316788/step Wall: 3970.87, 0.00316788/step, 3.31343 hours remaining, 231.792969 MB of memory in use. ENERGY: 1234600 4038.3227 20542.1912 14526.4119 224.0085 -203731.4507 2543.6565 0.0000 0.0000 52201.6564 -109655.2034 300.0036 -161856.8599 -109289.0112 299.4129 20.0185 45.5404 759302.6627 1.0975 1.0080 PRESSURE: 1234800 -284.059 67.8542 -155.372 67.8546 14.5679 35.9648 -155.373 35.9664 -408.134 GPRESSURE: 1234800 -270.552 64.1659 -203.46 9.41032 104.929 -9.58701 -108.499 33.6198 -427.908 PRESSAVG: 1234800 -31.0404 -38.0447 35.8531 -38.0447 12.1294 -8.48718 35.8531 -8.48707 7.94568 GPRESSAVG: 1234800 -30.7285 -38.2979 34.9973 -37.4994 12.6131 -8.4248 36.3377 -7.31326 7.26371 TIMING: 1234800 CPU: 3971.5, 0.00316233/step Wall: 3971.5, 0.00316233/step, 3.30745 hours remaining, 231.792969 MB of memory in use. ENERGY: 1234800 4059.7140 20609.5280 14503.3952 229.3217 -203707.5514 2586.6333 0.0000 0.0000 51864.4346 -109854.5246 298.0656 -161718.9592 -109493.5839 299.1711 -225.8749 -197.8434 759378.2659 -3.6551 -3.6172 PRESSURE: 1235000 5.37415 126.721 190.95 126.721 -533.945 4.50508 190.951 4.50519 -277.075 GPRESSURE: 1235000 72.7333 93.8913 164.425 218.405 -517.513 -46.7266 194.455 -37.4504 -275.45 PRESSAVG: 1235000 44.4213 -26.0789 29.1278 -26.0789 -37.6571 32.6687 29.1277 32.6687 -9.88774 GPRESSAVG: 1235000 44.3197 -23.4515 30.8902 -26.5038 -37.922 32.3039 27.9002 31.531 -9.49762 TIMING: 1235000 CPU: 3972.13, 0.00315774/step Wall: 3972.13, 0.00315774/step, 3.30247 hours remaining, 231.792969 MB of memory in use. ENERGY: 1235000 4001.6729 20469.1240 14553.2539 256.9000 -203517.4886 2110.5324 0.0000 0.0000 52375.2840 -109750.7215 301.0015 -162126.0055 -109385.2741 298.8715 -268.5484 -240.0766 761306.6449 -1.0412 -1.0333 PRESSURE: 1235200 -105.548 -343.402 240.85 -343.402 -154.256 97.914 240.85 97.9129 332.898 GPRESSURE: 1235200 -52.5388 -298.376 291.908 -357.902 -145.665 2.03881 245.658 54.7053 332.711 PRESSAVG: 1235200 73.438 -26.2072 -21.791 -26.2072 -73.8515 16.3265 -21.7911 16.3265 18.8702 GPRESSAVG: 1235200 72.5673 -29.2339 -22.2285 -26.7002 -73.0843 17.8358 -20.7665 15.5401 18.7179 TIMING: 1235200 CPU: 3972.76, 0.00313927/step Wall: 3972.76, 0.00313927/step, 3.28298 hours remaining, 231.792969 MB of memory in use. ENERGY: 1235200 3920.8401 20565.0576 14554.0194 258.5161 -203740.6070 2531.8156 0.0000 0.0000 52028.2678 -109882.0904 299.0072 -161910.3582 -109509.4086 299.1529 24.3645 44.8358 760949.8197 6.1523 6.0670 PRESSURE: 1235400 -12.24 62.3675 62.7011 62.3667 -130.269 78.6216 62.7018 78.6218 -538.61 GPRESSURE: 1235400 21.8525 90.9601 100.787 -75.4513 -115.691 99.0403 36.7568 213.845 -495.488 PRESSAVG: 1235400 54.1288 -5.89875 -38.5981 -5.89879 -62.5576 9.58379 -38.5981 9.58372 -23.8395 GPRESSAVG: 1235400 55.2434 -6.62558 -38.1595 -5.70637 -63.0615 9.44265 -37.5425 10.627 -23.7023 TIMING: 1235400 CPU: 3973.39, 0.00316069/step Wall: 3973.39, 0.00316069/step, 3.30521 hours remaining, 231.792969 MB of memory in use. ENERGY: 1235400 3943.7023 20418.3255 14499.9124 255.6972 -203821.3246 2614.2843 0.0000 0.0000 52102.0561 -109987.3469 299.4312 -162089.4029 -109622.2624 298.7444 -227.0397 -196.4420 759998.7680 -10.7561 -10.5068 PRESSURE: 1235600 -116.333 -270.622 28.3326 -270.621 76.3937 60.2709 28.3321 60.2708 50.228 GPRESSURE: 1235600 71.8718 -267.305 -62.4138 -299.921 26.344 71.6102 104.496 65.77 -6.04337 PRESSAVG: 1235600 0.0516279 -55.4376 -5.94162 -55.4376 -8.93273 -47.2605 -5.94164 -47.2605 -0.725053 GPRESSAVG: 1235600 -0.425293 -55.3981 -6.05074 -55.9692 -8.45844 -48.3791 -7.82837 -47.7522 -0.835514 TIMING: 1235600 CPU: 3974.03, 0.00317677/step Wall: 3974.03, 0.00317677/step, 3.32184 hours remaining, 231.792969 MB of memory in use. ENERGY: 1235600 3930.6366 20430.2082 14452.5160 244.7383 -203666.8030 2765.8726 0.0000 0.0000 51915.6400 -109927.1914 298.3599 -161842.8313 -109567.5505 298.4411 3.4296 30.7241 760820.8209 -3.2021 -3.2397 PRESSURE: 1235800 -140.633 143.531 365.147 143.532 -293.435 -50.4914 365.146 -50.4917 -324.421 GPRESSURE: 1235800 -132.236 151.278 469.663 222.386 -237.388 -3.95548 334.645 -139.306 -305.531 PRESSAVG: 1235800 30.2546 -42.2866 -9.71549 -42.2866 -13.2191 30.0098 -9.71548 30.0098 31.7538 GPRESSAVG: 1235800 30.4013 -41.6235 -11.1643 -40.2082 -13.5904 32.7547 -8.83007 27.5986 31.8298 TIMING: 1235800 CPU: 3974.66, 0.00314359/step Wall: 3974.66, 0.00314359/step, 3.28697 hours remaining, 231.792969 MB of memory in use. ENERGY: 1235800 3918.2773 20549.5155 14491.3545 244.0706 -203648.2033 2371.5050 0.0000 0.0000 52085.7092 -109987.7712 299.3373 -162073.4803 -109620.3262 298.7973 -252.8298 -225.0517 759994.2535 16.2631 16.2136 PRESSURE: 1236000 79.0999 210.066 -77.8793 210.068 -42.3362 70.3982 -77.8779 70.3986 -306.689 GPRESSURE: 1236000 144.466 136.669 -25.6114 155.405 -61.0433 15.9135 -119.113 27.3508 -268.262 PRESSAVG: 1236000 -4.53103 11.5874 -37.7467 11.5875 13.1447 37.1281 -37.7467 37.128 1.30396 GPRESSAVG: 1236000 -4.17864 12.4156 -36.0188 10.0455 13.2016 32.923 -38.0814 37.7992 1.96046 TIMING: 1236000 CPU: 3975.29, 0.00315311/step Wall: 3975.29, 0.00315311/step, 3.29676 hours remaining, 231.792969 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: 1236000 4070.1351 20655.3801 14482.4082 275.8101 -203776.8292 2369.8234 0.0000 0.0000 52038.6066 -109884.6657 299.0666 -161923.2723 -109526.2829 298.8253 -89.9752 -61.6131 759444.3601 3.3059 3.6611 PRESSURE: 1236200 21.7923 -20.7658 2.91746 -20.765 -17.0026 -170.101 2.91772 -170.102 342.555 GPRESSURE: 1236200 -33.2023 -101.618 16.4777 60.9837 136.862 -83.7676 18.4109 -64.7347 316.127 PRESSAVG: 1236200 68.6528 18.3492 -7.93753 18.3492 -38.192 -55.2435 -7.93758 -55.2436 -7.20219 GPRESSAVG: 1236200 68.1618 17.1836 -10.1734 19.3068 -37.3409 -54.0388 -6.96064 -52.5857 -7.41583 TIMING: 1236200 CPU: 3975.92, 0.00317464/step Wall: 3975.92, 0.00317464/step, 3.31909 hours remaining, 231.792969 MB of memory in use. ENERGY: 1236200 3964.9207 20633.6629 14432.8699 244.8066 -203630.8018 2527.8509 0.0000 0.0000 51883.1793 -109943.5115 298.1733 -161826.6908 -109591.4392 297.9799 115.7815 139.9287 759146.4456 7.7529 7.8017 LDB: ============= START OF LOAD BALANCING ============== 3988.35 LDB: ============== END OF LOAD BALANCING =============== 3988.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.35 LDB: ============= START OF LOAD BALANCING ============== 3988.67 LDB: Largest compute 7031 load 0.035222 is 18.0% of average load 0.195318 LDB: Average compute 0.004385 is 2.2% of average load 0.195318 LDB: TIME 3988.67 LOAD: AVG 0.195318 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.457 MB LDB: TIME 3988.67 LOAD: AVG 0.195318 MAX 0.215231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: TIME 3988.67 LOAD: AVG 0.195318 MAX 0.215231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: ============== END OF LOAD BALANCING =============== 3988.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.68 PRESSURE: 1236400 -29.6309 -37.8876 106.736 -37.8882 170.27 111.486 106.736 111.486 -44.8329 GPRESSURE: 1236400 121.909 60.6713 222.652 42.4761 47.6377 76.8794 205.642 82.704 20.1933 PRESSAVG: 1236400 23.7227 3.69841 -1.27219 3.69835 -11.294 2.43771 -1.27221 2.43768 23.3919 GPRESSAVG: 1236400 24.4435 2.88705 -0.910766 4.13637 -12.1829 3.62768 -2.85503 0.323398 24.0143 TIMING: 1236400 CPU: 3976.57, 0.00324279/step Wall: 3976.57, 0.00324279/step, 3.39016 hours remaining, 231.902344 MB of memory in use. ENERGY: 1236400 3907.4836 20416.7122 14527.5868 226.2004 -203924.6215 2659.3666 0.0000 0.0000 52024.5562 -110162.7158 298.9858 -162187.2719 -109794.6835 298.2300 31.9352 63.2468 758216.5934 11.9402 12.0916 PRESSURE: 1236600 -86.5647 59.0544 8.0411 59.0548 260.958 108.703 8.04094 108.703 144.431 GPRESSURE: 1236600 -35.7544 134.45 11.6995 -93.5086 172.846 94.7308 -135.835 22.1992 250.014 PRESSAVG: 1236600 89.1302 -38.0042 -10.5165 -38.0043 -66.4867 43.3169 -10.5165 43.3169 -2.30877 GPRESSAVG: 1236600 88.2814 -35.0091 -10.8049 -39.9935 -67.2146 42.55 -10.743 45.135 -1.21859 TIMING: 1236600 CPU: 3977.2, 0.00314946/step Wall: 3977.2, 0.00314946/step, 3.29241 hours remaining, 232.105469 MB of memory in use. ENERGY: 1236600 3947.0314 20702.0585 14532.0012 239.7269 -203926.1152 2556.6215 0.0000 0.0000 51878.5793 -110070.0964 298.1469 -161948.6757 -109715.6614 298.6277 106.2748 129.0351 758460.0893 6.7782 6.6161 PRESSURE: 1236800 143.471 -226.387 -63.3073 -226.387 -498.268 -62.6019 -63.3067 -62.6016 -334.468 GPRESSURE: 1236800 87.7946 -302.151 15.0328 -245.07 -412.439 -12.3805 -136.623 -45.4131 -280.693 PRESSAVG: 1236800 12.8053 -34.3823 11.6773 -34.3823 1.79654 28.2077 11.6773 28.2076 -9.08863 GPRESSAVG: 1236800 12.2645 -38.751 12.7372 -33.1355 3.65796 28.9423 12.9801 25.9684 -10.799 TIMING: 1236800 CPU: 3977.84, 0.00316385/step Wall: 3977.84, 0.00316385/step, 3.30728 hours remaining, 232.105469 MB of memory in use. ENERGY: 1236800 3995.2036 20522.2533 14490.7134 247.7021 -203505.4648 2422.3693 0.0000 0.0000 51959.9795 -109867.2436 298.6147 -161827.2231 -109492.3290 298.8189 -229.7550 -201.7792 759630.6047 1.8377 1.7078 PRESSURE: 1237000 138.126 70.6641 196.57 70.6645 337.39 58.3526 196.57 58.3532 112.562 GPRESSURE: 1237000 256.583 123.781 234.43 31.6987 340.902 75.9239 372.036 -24.881 57.2198 PRESSAVG: 1237000 26.9864 -37.4045 -46.8244 -37.4044 -5.61027 -32.7189 -46.8244 -32.7189 -8.62646 GPRESSAVG: 1237000 28.2788 -35.5238 -47.0588 -36.5872 -5.77129 -32.8451 -48.4055 -31.2167 -10.0369 TIMING: 1237000 CPU: 3978.46, 0.00314073/step Wall: 3978.46, 0.00314073/step, 3.28294 hours remaining, 232.105469 MB of memory in use. ENERGY: 1237000 3861.6648 20796.6343 14522.2363 274.2866 -204197.4456 2678.4440 0.0000 0.0000 52104.3767 -109959.8029 299.4446 -162064.1796 -109591.2933 299.0522 196.0259 218.2350 757057.2904 4.2499 4.1569 PRESSURE: 1237200 -302.059 6.83417 -62.3811 6.83383 -81.3325 -202.466 -62.3805 -202.466 -533.86 GPRESSURE: 1237200 -282.741 -65.2981 -77.1046 -55.2015 -59.8345 -184.8 -212.206 -35.4191 -502.713 PRESSAVG: 1237200 21.3817 -26.7767 23.4321 -26.7766 3.0266 16.084 23.432 16.084 -8.14322 GPRESSAVG: 1237200 20.2356 -29.5445 22.6286 -27.1687 2.74767 13.8128 23.7837 15.8168 -6.61316 TIMING: 1237200 CPU: 3979.09, 0.00314291/step Wall: 3979.09, 0.00314291/step, 3.28504 hours remaining, 232.105469 MB of memory in use. ENERGY: 1237200 3997.2170 20562.2731 14520.4092 263.1101 -203830.5689 2329.2791 0.0000 0.0000 51878.1920 -110280.0884 298.1447 -162158.2804 -109916.1952 298.4062 -305.7506 -281.7629 757619.9251 5.4217 5.4567 PRESSURE: 1237400 -176.839 -152.19 -40.512 -152.189 -7.41333 -102.227 -40.5119 -102.227 213.017 GPRESSURE: 1237400 -102.172 -7.70562 28.279 26.4994 102.159 -138.47 -88.0546 -116.638 105.486 PRESSAVG: 1237400 -57.4404 -33.6881 -41.0591 -33.6881 68.6808 -30.3443 -41.0591 -30.3442 28.9302 GPRESSAVG: 1237400 -56.2342 -30.1117 -40.694 -33.2779 68.6149 -28.471 -39.9416 -30.4637 28.1576 TIMING: 1237400 CPU: 3979.72, 0.00315577/step Wall: 3979.72, 0.00315577/step, 3.2983 hours remaining, 232.105469 MB of memory in use. ENERGY: 1237400 4002.1469 20479.4781 14561.3965 247.7842 -203835.2299 2289.5331 0.0000 0.0000 51947.0686 -110307.8225 298.5405 -162254.8912 -109947.1255 298.3313 9.5882 35.1577 756116.2192 13.3902 13.5128 PRESSURE: 1237600 -228.239 -124.289 -237.5 -124.289 60.382 -109.119 -237.499 -109.121 -256.09 GPRESSURE: 1237600 -123.543 -80.7863 -283.171 -118.242 4.19737 -121.437 -189.139 -164.689 -209.877 PRESSAVG: 1237600 -53.9978 -6.28797 -49.2198 -6.28794 3.19239 16.2384 -49.2198 16.2385 4.55418 GPRESSAVG: 1237600 -55.0137 -7.57735 -48.2706 -5.97235 3.47315 16.743 -46.6684 15.0929 5.26479 TIMING: 1237600 CPU: 3980.35, 0.00315138/step Wall: 3980.35, 0.00315138/step, 3.29355 hours remaining, 232.105469 MB of memory in use. ENERGY: 1237600 3981.6136 20541.4022 14483.4867 245.6437 -203971.7515 2697.2386 0.0000 0.0000 51846.6795 -110175.6872 297.9636 -162022.3667 -109817.5007 298.3833 -141.3158 -109.7409 758531.8243 -15.4171 -15.4253 PRESSURE: 1237800 -187.152 27.4566 124.383 27.456 -339.363 -145.727 124.384 -145.727 -120.526 GPRESSURE: 1237800 -141.655 -60.0803 176.02 -128.561 -352.23 -98.576 -12.9609 -261.319 -82.8302 PRESSAVG: 1237800 -55.1956 3.10211 14.7171 3.10215 -13.1475 19.1587 14.7171 19.1587 -19.9477 GPRESSAVG: 1237800 -56.864 4.27031 14.8968 2.31276 -13.1048 18.8221 10.5715 21.0024 -18.5599 TIMING: 1237800 CPU: 3980.98, 0.00315609/step Wall: 3980.98, 0.00315609/step, 3.29829 hours remaining, 232.105469 MB of memory in use. ENERGY: 1237800 4071.8676 20532.6798 14532.0962 239.0662 -203595.2074 2243.6209 0.0000 0.0000 51986.8749 -109989.0017 298.7693 -161975.8766 -109620.9086 298.4882 -215.6803 -192.2384 758723.2420 -29.4303 -29.5096 PRESSURE: 1238000 -11.4637 -60.6822 95.4262 -60.6831 136.297 -20.5627 95.4264 -20.5631 136.493 GPRESSURE: 1238000 2.12012 53.2664 102.206 -129.974 176.318 -47.2908 -54.6443 -24.9581 152.204 PRESSAVG: 1238000 -45.9816 -37.3965 18.4052 -37.3965 34.664 37.9278 18.4052 37.9278 2.01564 GPRESSAVG: 1238000 -43.9948 -37.2682 17.4188 -38.2033 34.1857 38.2667 19.0574 36.672 0.794682 TIMING: 1238000 CPU: 3981.62, 0.00315238/step Wall: 3981.62, 0.00315238/step, 3.29424 hours remaining, 232.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1238000 3945.2975 20703.9293 14427.3944 245.7516 -203865.4390 2551.4866 0.0000 0.0000 52250.9153 -109740.6644 300.2867 -161991.5796 -109383.4335 298.8518 87.1087 110.2142 758170.4462 -3.1007 -3.0048 PRESSURE: 1238200 -73.2008 -41.3365 -258.836 -41.336 -174.147 268.103 -258.836 268.101 -257.228 GPRESSURE: 1238200 -202.557 40.7935 -329.85 -71.402 18.6082 244.723 -105.969 245.695 -232.067 PRESSAVG: 1238200 34.2892 -51.7509 -6.29565 -51.7509 -20.4446 -1.16371 -6.29571 -1.16372 1.08787 GPRESSAVG: 1238200 34.3329 -54.5239 -6.29565 -51.8621 -20.3208 -0.0973207 -5.09523 -1.438 0.841687 TIMING: 1238200 CPU: 3982.25, 0.00315077/step Wall: 3982.25, 0.00315077/step, 3.29238 hours remaining, 232.105469 MB of memory in use. ENERGY: 1238200 3942.7834 20521.0767 14497.0911 239.1590 -203710.6210 2427.8567 0.0000 0.0000 52315.8535 -109766.8006 300.6599 -162082.6541 -109388.9725 299.1126 -168.1921 -138.6722 758475.5493 4.9775 4.9513 PRESSURE: 1238400 -571.332 192.859 -38.1429 192.858 -99.1463 -23.4488 -38.1425 -23.4484 -19.4501 GPRESSURE: 1238400 -500.266 87.9085 -43.2634 210.438 -72.0455 -49.1666 11.7334 48.4882 -22.8763 PRESSAVG: 1238400 23.3419 -17.0238 11.2735 -17.0239 -49.4345 15.9191 11.2734 15.9191 18.9861 GPRESSAVG: 1238400 22.8972 -14.6845 11.5045 -17.3529 -48.589 16.3257 10.7745 16.7551 18.072 TIMING: 1238400 CPU: 3982.88, 0.00316945/step Wall: 3982.88, 0.00316945/step, 3.31173 hours remaining, 232.105469 MB of memory in use. ENERGY: 1238400 3980.0355 20564.1448 14529.7876 248.2927 -202942.2526 1967.8788 0.0000 0.0000 51711.8194 -109940.2937 297.1885 -161652.1132 -109586.1146 298.9509 -229.9761 -198.3958 762159.0781 -2.3688 -2.5399 PRESSURE: 1238600 195.797 118.115 384.025 118.115 208.219 252.952 384.025 252.953 479.631 GPRESSURE: 1238600 294.086 6.40895 362.831 57.7995 219.395 143.456 253.578 316.795 457.925 PRESSAVG: 1238600 26.3605 -13.8124 71.5372 -13.8124 -15.4882 -3.16657 71.5372 -3.16651 -6.66078 GPRESSAVG: 1238600 27.1505 -15.5944 71.2508 -13.7295 -16.5855 -6.81319 70.8944 -1.73502 -6.35771 TIMING: 1238600 CPU: 3983.51, 0.00316204/step Wall: 3983.51, 0.00316204/step, 3.30381 hours remaining, 232.105469 MB of memory in use. ENERGY: 1238600 4041.2643 20445.2640 14544.5002 247.7768 -204047.3695 2908.7878 0.0000 0.0000 51968.8005 -109890.9759 298.6654 -161859.7764 -109533.8183 297.9914 294.5490 323.8020 758753.9802 1.4038 1.4024 PRESSURE: 1238800 -168.086 -82.7353 -147.288 -82.734 -198.265 150.832 -147.288 150.833 214.039 GPRESSURE: 1238800 -140.851 -132.763 -140.432 30.6008 -119.588 137.414 -53.9714 123.697 186.329 PRESSAVG: 1238800 3.16473 -7.89671 55.2198 -7.89672 27.0058 18.6338 55.2198 18.6338 4.64522 GPRESSAVG: 1238800 2.50037 -6.7291 54.6817 -8.34361 27.7059 21.0569 56.0554 18.9897 4.65515 TIMING: 1238800 CPU: 3984.14, 0.00314808/step Wall: 3984.14, 0.00314808/step, 3.28905 hours remaining, 232.105469 MB of memory in use. ENERGY: 1238800 3969.8715 20504.5491 14608.3458 247.8399 -203877.8679 2766.2381 0.0000 0.0000 51945.4507 -109835.5729 298.5312 -161781.0236 -109476.5964 298.6943 -50.7706 -24.7033 760035.1783 11.6052 11.6205 PRESSURE: 1239000 76.034 135.328 204.701 135.328 -364.099 24.5489 204.701 24.5477 -38.1616 GPRESSURE: 1239000 106.616 106.88 215.666 140.834 -285.261 -117.12 194.275 25.0505 -65.231 PRESSAVG: 1239000 4.22738 -31.1955 42.9392 -31.1955 -24.2432 45.5097 42.9392 45.5097 -7.43859 GPRESSAVG: 1239000 5.39038 -30.1355 42.2058 -29.7455 -25.2786 44.7347 44.5549 45.6158 -7.52597 TIMING: 1239000 CPU: 3984.77, 0.00315908/step Wall: 3984.77, 0.00315908/step, 3.30036 hours remaining, 232.105469 MB of memory in use. ENERGY: 1239000 4030.4051 20524.8324 14599.0851 270.3430 -203565.7654 2390.7742 0.0000 0.0000 51979.6414 -109770.6841 298.7277 -161750.3256 -109401.8734 299.1522 -108.7422 -81.2922 759990.0520 -9.1515 -9.1381 PRESSURE: 1239200 -90.9299 -34.3279 -465.492 -34.3282 102.535 245.692 -465.493 245.694 -70.0909 GPRESSURE: 1239200 -53.9723 -57.9786 -404.491 -105.02 97.0748 233.645 -452.668 183.765 -9.84689 PRESSAVG: 1239200 22.8572 10.6925 -28.6399 10.6925 -23.6114 -3.0512 -28.64 -3.05126 -13.2816 GPRESSAVG: 1239200 22.3318 9.5228 -26.8192 9.77398 -23.2407 -2.60459 -29.8028 -4.26083 -13.3796 TIMING: 1239200 CPU: 3985.41, 0.00316341/step Wall: 3985.41, 0.00316341/step, 3.30471 hours remaining, 232.105469 MB of memory in use. ENERGY: 1239200 3987.2447 20443.0898 14572.7029 240.7776 -203068.8458 2087.7404 0.0000 0.0000 52012.4389 -109724.8516 298.9162 -161737.2905 -109362.5587 298.9078 -19.4953 11.0852 759693.7243 -4.6786 -4.7628 PRESSURE: 1239400 220.012 47.4055 23.8304 47.4057 40.4631 163.669 23.8294 163.669 -170.268 GPRESSURE: 1239400 251.843 -45.5617 116.3 122.362 54.3409 100.147 -23.6975 160.194 -124.566 PRESSAVG: 1239400 107.203 5.79251 -1.67501 5.79246 -71.28 -19.7247 -1.67503 -19.7248 28.1833 GPRESSAVG: 1239400 107.623 6.65684 -2.57232 6.65544 -71.7025 -18.004 -1.34451 -19.7688 28.2348 TIMING: 1239400 CPU: 3986.04, 0.00316499/step Wall: 3986.04, 0.00316499/step, 3.30619 hours remaining, 232.105469 MB of memory in use. ENERGY: 1239400 3968.2207 20558.2113 14551.7338 240.6658 -203514.4006 2504.3262 0.0000 0.0000 52171.1490 -109520.0939 299.8283 -161691.2429 -109155.9566 299.5676 30.0691 60.5395 760525.6737 21.3688 21.3851 PRESSURE: 1239600 272.62 -90.3759 -76.9494 -90.3754 185.683 134.833 -76.9496 134.832 49.8067 GPRESSURE: 1239600 333.972 -120.15 -91.6905 -230.762 226.04 166.772 -145.409 84.3246 38.7534 PRESSAVG: 1239600 28.2774 -10.4653 30.1266 -10.4654 -37.4483 32.7129 30.1265 32.7129 -13.4829 GPRESSAVG: 1239600 26.4914 -11.6573 29.241 -11.6793 -35.0636 32.4353 31.2135 30.8356 -13.967 TIMING: 1239600 CPU: 3986.67, 0.00316821/step Wall: 3986.67, 0.00316821/step, 3.30937 hours remaining, 232.105469 MB of memory in use. ENERGY: 1239600 4020.2701 20526.7308 14587.1394 263.2282 -203485.1862 2570.2775 0.0000 0.0000 52097.4474 -109420.0928 299.4047 -161517.5403 -109058.6627 299.3082 169.3698 199.5883 758833.8452 -7.5513 -7.5131 PRESSURE: 1239800 -63.6116 -80.0992 -172.503 -80.1003 48.8588 -30.8134 -172.502 -30.8137 18.3182 GPRESSURE: 1239800 -27.0063 -32.6053 -153.37 -31.634 60.8478 -96.6055 -114.439 75.9055 54.1847 PRESSAVG: 1239800 24.9191 6.77671 -36.2097 6.77675 -62.2006 27.0451 -36.2097 27.0451 -0.22571 GPRESSAVG: 1239800 27.4432 7.15333 -33.9905 6.89535 -63.7579 25.7127 -37.9541 30.7536 -0.511968 TIMING: 1239800 CPU: 3987.3, 0.00315447/step Wall: 3987.3, 0.00315447/step, 3.29484 hours remaining, 232.105469 MB of memory in use. ENERGY: 1239800 3957.1293 20613.3660 14532.6428 262.1748 -203497.4886 2680.6977 0.0000 0.0000 52113.7415 -109337.7365 299.4984 -161451.4780 -108969.9051 299.5319 1.1885 29.3421 760382.0200 -12.5024 -12.2755 PRESSURE: 1240000 2.08132 102.114 -18.3346 102.113 -306.679 60.4738 -18.3345 60.4728 -147.205 GPRESSURE: 1240000 -34.9305 117.773 -20.0452 127.726 -164.358 119.276 -58.9733 46.9783 -158.261 PRESSAVG: 1240000 -5.7496 -23.4172 34.7969 -23.4172 -4.8014 22.1777 34.7969 22.1777 4.91425 GPRESSAVG: 1240000 -7.27489 -22.7078 34.5255 -25.4622 -4.52779 23.1897 36.326 19.5736 6.19436 TIMING: 1240000 CPU: 3987.94, 0.0031785/step Wall: 3987.94, 0.0031785/step, 3.31976 hours remaining, 232.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1240000 3905.4457 20639.6945 14483.1498 243.8053 -203415.7764 2376.2344 0.0000 0.0000 52213.7623 -109553.6844 300.0732 -161767.4467 -109199.2552 299.4812 -150.6007 -119.1832 760940.3890 -1.8789 -1.8694 PRESSURE: 1240200 -257.02 -83.5396 -106.28 -83.54 -20.6398 39.5819 -106.279 39.5815 -21.1451 GPRESSURE: 1240200 -154.081 -139.638 -110.426 -157.221 -83.1927 91.07 -164.707 61.0407 41.6935 PRESSAVG: 1240200 67.8459 -60.6881 12.3389 -60.6881 -67.2229 12.2134 12.339 12.2134 -8.20511 GPRESSAVG: 1240200 68.3883 -62.1247 11.1696 -58.0667 -66.7588 12.5127 10.6233 13.0362 -8.93172 TIMING: 1240200 CPU: 3988.57, 0.00316431/step Wall: 3988.57, 0.00316432/step, 3.30478 hours remaining, 232.105469 MB of memory in use. ENERGY: 1240200 4037.1736 20606.5092 14586.9171 256.9198 -203297.9762 2541.0988 0.0000 0.0000 51660.2977 -109609.0600 296.8924 -161269.3577 -109259.8503 299.0555 -99.6017 -65.1935 759554.0687 -2.5274 -2.4341 LDB: ============= START OF LOAD BALANCING ============== 4001 LDB: ============== END OF LOAD BALANCING =============== 4001 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4001 LDB: ============= START OF LOAD BALANCING ============== 4001.32 LDB: Largest compute 7055 load 0.035162 is 18.0% of average load 0.195134 LDB: Average compute 0.004416 is 2.3% of average load 0.195134 LDB: TIME 4001.32 LOAD: AVG 0.195134 MAX 0.214933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.457 MB LDB: TIME 4001.32 LOAD: AVG 0.195134 MAX 0.214933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.461 MB LDB: TIME 4001.32 LOAD: AVG 0.195134 MAX 0.214933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.461 MB LDB: ============== END OF LOAD BALANCING =============== 4001.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4001.33 PRESSURE: 1240400 198.41 -131.882 -391.42 -131.882 -414.708 117.631 -391.419 117.63 222.255 GPRESSURE: 1240400 205.893 -183.782 -339.448 -85.5465 -364.902 162.64 -342.188 60.7418 251.725 PRESSAVG: 1240400 12.6731 -48.9439 -34.4755 -48.944 -50.1699 -0.664066 -34.4755 -0.664067 -8.21077 GPRESSAVG: 1240400 11.6818 -45.9896 -33.4253 -50.9256 -50.1763 -1.97175 -34.8282 0.231119 -7.18705 TIMING: 1240400 CPU: 3989.22, 0.00324261/step Wall: 3989.22, 0.00324261/step, 3.38636 hours remaining, 230.621094 MB of memory in use. ENERGY: 1240400 4004.2035 20477.2486 14558.4213 234.8747 -203705.0678 2819.5042 0.0000 0.0000 51861.3222 -109749.4933 298.0477 -161610.8155 -109389.2004 298.7648 1.9856 30.9054 759604.7219 -15.2358 -15.2272 PRESSURE: 1240600 60.4212 106.076 -35.2462 106.076 48.0222 -61.3272 -35.2467 -61.3281 37.4484 GPRESSURE: 1240600 140.645 23.6421 10.6666 89.1193 76.0557 2.83673 193.531 -58.4464 28.9699 PRESSAVG: 1240600 25.9481 -61.5145 17.24 -61.5145 -33.9198 13.325 17.24 13.325 4.23394 GPRESSAVG: 1240600 27.0758 -64.4051 18.1361 -56.7216 -33.7422 14.9787 18.2871 11.7599 3.3358 TIMING: 1240600 CPU: 3989.86, 0.00317501/step Wall: 3989.86, 0.00317501/step, 3.31559 hours remaining, 230.878906 MB of memory in use. ENERGY: 1240600 3959.9654 20559.0860 14571.3696 254.5042 -203612.2891 2595.5642 0.0000 0.0000 52288.2788 -109383.5209 300.5015 -161671.7996 -109018.7964 299.5970 48.6306 81.8901 761653.6265 -1.2459 -1.1102 PRESSURE: 1240800 -118.454 99.3876 -340.285 99.3871 -493.631 -292.539 -340.284 -292.539 -245.547 GPRESSURE: 1240800 -133.59 49.0969 -385.042 104.426 -332.188 -331.477 -225.228 -297.216 -289.582 PRESSAVG: 1240800 13.0994 -0.491382 -2.7002 -0.491317 27.1128 -8.11537 -2.70026 -8.11538 -29.2009 GPRESSAVG: 1240800 12.6259 0.960193 -3.20402 -1.87048 27.4453 -7.80656 -2.61347 -8.27009 -28.9999 TIMING: 1240800 CPU: 3990.49, 0.00316154/step Wall: 3990.49, 0.00316154/step, 3.30135 hours remaining, 230.878906 MB of memory in use. ENERGY: 1240800 4024.4947 20501.4372 14514.5332 260.4620 -203258.8915 2049.9813 0.0000 0.0000 52264.5376 -109643.4455 300.3650 -161907.9831 -109273.4483 299.6880 -285.8773 -251.7864 760059.4247 3.6704 3.6904 PRESSURE: 1241000 96.0012 -36.4471 25.1661 -36.4477 -142.637 -170.871 25.1669 -170.87 116.128 GPRESSURE: 1241000 105.525 -13.4879 7.3851 18.9579 -126.693 -176.325 72.4147 -51.3335 175.232 PRESSAVG: 1241000 11.0676 0.466402 23.3707 0.466369 -59.6371 -20.646 23.3707 -20.6461 6.34251 GPRESSAVG: 1241000 9.9068 -0.90086 22.8943 -0.837671 -59.1854 -21.4719 24.3039 -18.5582 7.86236 TIMING: 1241000 CPU: 3991.12, 0.0031521/step Wall: 3991.12, 0.0031521/step, 3.29132 hours remaining, 230.878906 MB of memory in use. ENERGY: 1241000 3942.1762 20382.2197 14471.9253 232.8970 -203757.2713 2857.7394 0.0000 0.0000 52104.6739 -109765.6398 299.4463 -161870.3137 -109406.5747 299.2296 23.1642 51.3548 761600.5977 -14.0757 -13.8054 PRESSURE: 1241200 255.965 89.2583 102.375 89.258 96.755 -189.941 102.375 -189.941 103.342 GPRESSURE: 1241200 239.452 90.028 -15.2021 45.9518 208.808 -206.642 26.7631 -143.426 74.2596 PRESSAVG: 1241200 24.734 2.87285 -18.9738 2.87285 13.7349 2.40563 -18.9738 2.4056 6.95303 GPRESSAVG: 1241200 24.9383 1.68047 -19.5055 5.49607 13.9797 2.1468 -19.4366 1.01765 5.82079 TIMING: 1241200 CPU: 3991.75, 0.00317016/step Wall: 3991.75, 0.00317016/step, 3.31 hours remaining, 230.894531 MB of memory in use. ENERGY: 1241200 3987.4626 20517.1302 14557.6358 227.9715 -203561.1920 2674.2037 0.0000 0.0000 51761.3364 -109835.4518 297.4731 -161596.7882 -109478.5138 298.9656 152.0206 174.1734 760860.9136 15.1407 14.9129 PRESSURE: 1241400 153.721 -0.23172 -174.594 -0.232282 -220.653 -116.941 -174.594 -116.941 9.79034 GPRESSURE: 1241400 171.342 37.4274 -237.344 -44.5422 -82.4993 -110.76 -179.933 -105.542 -40.3575 PRESSAVG: 1241400 -10.0371 -43.4507 -21.698 -43.4507 9.35786 -4.78635 -21.698 -4.78648 7.39684 GPRESSAVG: 1241400 -9.3912 -42.0648 -20.537 -42.6247 8.7965 -4.03302 -22.1359 -6.22046 7.05472 TIMING: 1241400 CPU: 3992.39, 0.00318591/step Wall: 3992.39, 0.00318591/step, 3.32627 hours remaining, 230.894531 MB of memory in use. ENERGY: 1241400 4070.7627 20388.2574 14547.8593 222.8721 -203957.8732 2815.9129 0.0000 0.0000 51894.6623 -110017.5465 298.2393 -161912.2088 -109655.2305 298.7106 -19.0474 16.1619 760870.9435 2.2392 2.1533 PRESSURE: 1241600 143.155 -111.48 56.461 -111.48 -91.8701 148.319 56.4615 148.319 -122.98 GPRESSURE: 1241600 93.8661 -108.708 15.5156 -154.542 6.5984 210.389 110.682 137.13 -99.5205 PRESSAVG: 1241600 6.53319 0.183152 -8.18168 0.183133 -12.029 -10.3291 -8.18168 -10.3292 16.1205 GPRESSAVG: 1241600 5.75252 1.58421 -10.4346 -2.83058 -12.1766 -10.4109 -7.48837 -8.48385 16.6207 TIMING: 1241600 CPU: 3993.02, 0.00317615/step Wall: 3993.02, 0.00317615/step, 3.3159 hours remaining, 230.894531 MB of memory in use. ENERGY: 1241600 3965.5362 20352.1736 14505.4380 242.8662 -203665.7475 2482.0844 0.0000 0.0000 52038.0488 -110079.6003 299.0634 -162117.6491 -109713.6794 297.9548 -23.8984 0.3147 759947.2662 3.5416 3.3989 PRESSURE: 1241800 -336.8 -191.248 -67.1521 -191.248 -103.844 -44.3721 -67.1524 -44.3726 376.471 GPRESSURE: 1241800 -211.476 -164.534 -69.606 -150.034 -111.608 -21.2928 -77.9602 85.6565 339.975 PRESSAVG: 1241800 17.9586 -66.3478 -34.0148 -66.3479 -11.2511 6.48937 -34.0147 6.48928 17.5163 GPRESSAVG: 1241800 17.5046 -67.208 -33.4621 -66.8566 -10.8832 5.97546 -33.6502 8.14733 17.916 TIMING: 1241800 CPU: 3993.66, 0.00316566/step Wall: 3993.66, 0.00316566/step, 3.30477 hours remaining, 230.894531 MB of memory in use. ENERGY: 1241800 3965.9986 20440.4746 14472.0768 252.5487 -203191.1881 2271.9911 0.0000 0.0000 51828.1468 -109959.9514 297.8571 -161788.0982 -109599.7873 298.0209 -21.3908 5.6302 760444.6381 8.0746 8.1791 PRESSURE: 1242000 92.9057 119.85 12.6508 119.85 -16.6447 -94.5058 12.6503 -94.5062 -278.708 GPRESSURE: 1242000 127.001 5.96137 25.459 125.479 -16.0656 -23.7175 15.3823 -77.0811 -214.333 PRESSAVG: 1242000 53.9148 23.9964 3.8657 23.9965 -44.8488 -2.6989 3.86575 -2.69901 -13.0719 GPRESSAVG: 1242000 54.7223 23.0608 5.25484 24.4786 -45.2038 -3.15964 2.6174 -2.27365 -13.1896 TIMING: 1242000 CPU: 3994.29, 0.00317065/step Wall: 3994.29, 0.00317065/step, 3.30981 hours remaining, 230.894531 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: 1242000 4006.9622 20540.3573 14539.6876 249.8528 -203199.0732 2406.5190 0.0000 0.0000 51741.8705 -109713.8238 297.3612 -161455.6944 -109364.1685 298.5353 -67.4822 -34.4657 760414.0861 -1.3353 -1.2237 PRESSURE: 1242200 -47.5779 -143.149 104.67 -143.15 -173.909 109.543 104.669 109.543 333.319 GPRESSURE: 1242200 11.2647 -182.569 161.376 -5.88719 -152.474 74.2237 20.5931 76.3461 334.223 PRESSAVG: 1242200 35.8981 -32.3608 -12.4647 -32.3608 -45.8422 45.6281 -12.4647 45.6281 5.60548 GPRESSAVG: 1242200 35.8584 -33.5135 -11.9742 -30.8163 -45.1031 47.8559 -10.0013 42.2888 4.78686 TIMING: 1242200 CPU: 3994.93, 0.00317252/step Wall: 3994.93, 0.00317252/step, 3.31158 hours remaining, 230.894531 MB of memory in use. ENERGY: 1242200 3909.8190 20537.9994 14522.0320 235.1576 -203350.0979 2348.4732 0.0000 0.0000 51891.1012 -109905.5155 298.2189 -161796.6167 -109552.3600 298.4262 37.2773 64.3380 759617.3430 -1.4462 -1.4860 PRESSURE: 1242400 -32.4782 91.764 -116.785 91.7638 167.394 -66.2282 -116.786 -66.2289 -139.264 GPRESSURE: 1242400 140.332 4.4337 -81.2896 73.004 131.776 -59.2886 -140.823 27.2232 -191.223 PRESSAVG: 1242400 52.8514 -2.75221 59.1868 -2.75223 -48.7373 -38.9317 59.1868 -38.9317 -7.51095 GPRESSAVG: 1242400 52.1307 -2.30227 57.4999 -2.68002 -49.0961 -40.3781 56.3696 -37.7205 -6.12335 TIMING: 1242400 CPU: 3995.56, 0.00315172/step Wall: 3995.56, 0.00315172/step, 3.28969 hours remaining, 230.894531 MB of memory in use. ENERGY: 1242400 3971.9763 20373.9214 14545.5575 244.8973 -203013.3480 2305.6283 0.0000 0.0000 51946.7568 -109624.6104 298.5387 -161571.3672 -109255.7381 298.8408 -1.4492 26.9617 760671.5497 -1.1323 -1.0296 PRESSURE: 1242600 225.462 0.10978 -326.491 0.109346 -100.503 24.5396 -326.491 24.5407 162.684 GPRESSURE: 1242600 272.099 57.0455 -351.777 -61.303 -33.2773 -11.3946 -244.128 98.5161 137.783 PRESSAVG: 1242600 2.67763 -29.941 -54.5731 -29.9411 -8.0529 13.0092 -54.573 13.0092 2.26439 GPRESSAVG: 1242600 3.40862 -29.5915 -53.5207 -32.8419 -7.77345 12.1974 -52.2379 12.6824 1.15713 TIMING: 1242600 CPU: 3996.19, 0.00315997/step Wall: 3996.19, 0.00315997/step, 3.29814 hours remaining, 230.894531 MB of memory in use. ENERGY: 1242600 3926.7239 20356.3669 14612.3188 242.6641 -202984.0580 2363.8790 0.0000 0.0000 52094.3826 -109387.7229 299.3871 -161482.1054 -109033.1402 299.1235 95.8810 125.5352 759931.4391 -1.0370 -1.0692 PRESSURE: 1242800 708.473 150.18 -107.281 150.18 311.662 19.7079 -107.281 19.7073 182.263 GPRESSURE: 1242800 755.592 37.0033 -10.9005 152.193 338.898 79.6206 -66.1423 -85.6329 197.589 PRESSAVG: 1242800 76.5575 -39.1903 16.7306 -39.1903 -50.9144 68.3323 16.7306 68.3323 18.8048 GPRESSAVG: 1242800 77.4284 -38.1519 17.2608 -38.0715 -51.9667 69.6094 15.8246 68.2634 19.0528 TIMING: 1242800 CPU: 3996.82, 0.00317635/step Wall: 3996.82, 0.00317635/step, 3.31505 hours remaining, 230.894531 MB of memory in use. ENERGY: 1242800 3910.5907 20576.0902 14500.5002 256.6823 -203577.5444 2800.8622 0.0000 0.0000 52217.4670 -109315.3517 300.0945 -161532.8188 -108958.5230 299.4107 400.7994 430.6931 759102.4324 14.8160 14.8382 PRESSURE: 1243000 38.0433 -48.1527 212.154 -48.1531 -127.009 -44.0814 212.153 -44.0816 -29.9484 GPRESSURE: 1243000 11.5661 -30.5741 181.342 -47.968 -154.137 -68.2209 100.665 -57.4219 92.3423 PRESSAVG: 1243000 29.4078 -50.6279 -1.0342 -50.628 -33.9253 -11.0096 -1.0342 -11.0096 -5.30064 GPRESSAVG: 1243000 29.8373 -51.2066 -0.769878 -49.708 -33.5452 -11.0952 -4.25743 -10.1969 -6.06642 TIMING: 1243000 CPU: 3997.46, 0.00317052/step Wall: 3997.46, 0.00317052/step, 3.30879 hours remaining, 231.093750 MB of memory in use. ENERGY: 1243000 4016.6373 20511.2913 14474.7611 229.7479 -203157.3021 2270.4965 0.0000 0.0000 52346.7473 -109307.6207 300.8375 -161654.3681 -108950.7229 300.0198 -39.6380 -16.7428 760108.8795 -3.2727 -3.2581 PRESSURE: 1243200 2.55314 -174.385 188.234 -174.385 -140.5 -123.008 188.234 -123.009 19.3011 GPRESSURE: 1243200 112.373 -225.23 211.936 -244.184 -178.102 -94.1178 19.9759 -121.58 17.7427 PRESSAVG: 1243200 3.08147 -57.6834 -10.5001 -57.6834 26.6902 -11.8862 -10.5002 -11.8862 -14.7278 GPRESSAVG: 1243200 -0.753397 -57.2942 -10.5729 -58.3279 28.2397 -10.8282 -8.18971 -11.4807 -12.9361 TIMING: 1243200 CPU: 3998.09, 0.00316607/step Wall: 3998.09, 0.00316607/step, 3.30397 hours remaining, 231.093750 MB of memory in use. ENERGY: 1243200 4024.0547 20561.1103 14531.9284 246.9777 -203058.2189 2431.3952 0.0000 0.0000 51960.0307 -109302.7218 298.6150 -161262.7525 -108945.3854 299.6646 -39.5485 -15.9955 761337.7062 5.0146 4.8501 PRESSURE: 1243400 -64.9593 25.4492 -11.9172 25.4492 128.265 -130.051 -11.9172 -130.051 284.382 GPRESSURE: 1243400 29.255 -24.5951 -18.7215 77.4511 118.966 -91.4635 -38.6162 -47.6629 302.509 PRESSAVG: 1243400 65.0687 -9.81356 3.04036 -9.81352 -4.39179 -68.8457 3.04031 -68.8457 5.95414 GPRESSAVG: 1243400 67.4833 -11.8348 2.66028 -7.86058 -5.34764 -69.0646 4.83331 -67.19 3.96085 TIMING: 1243400 CPU: 3998.73, 0.00317862/step Wall: 3998.73, 0.00317862/step, 3.31689 hours remaining, 231.093750 MB of memory in use. ENERGY: 1243400 3931.6036 20431.2823 14494.4187 245.2056 -203222.6724 2595.8079 0.0000 0.0000 52394.9677 -109129.3866 301.1146 -161524.3543 -108769.0227 300.0391 115.8957 150.2432 761042.0458 22.2103 22.0322 PRESSURE: 1243600 -69.1802 -105.257 104.032 -105.257 -102.688 164.918 104.033 164.919 10.5969 GPRESSURE: 1243600 -78.3995 14.9887 90.4028 -23.9838 -39.6957 122.003 136.983 192.472 38.2885 PRESSAVG: 1243600 -13.3255 -87.2354 23.6397 -87.2354 -0.730069 -19.1923 23.6397 -19.1922 -5.6017 GPRESSAVG: 1243600 -14.9438 -86.3524 21.7476 -87.1959 0.259482 -20.0328 22.3915 -21.4049 -4.59239 TIMING: 1243600 CPU: 3999.36, 0.00316298/step Wall: 3999.36, 0.00316298/step, 3.3004 hours remaining, 231.093750 MB of memory in use. ENERGY: 1243600 3976.5856 20699.6478 14500.5592 254.4120 -203033.3920 2269.4031 0.0000 0.0000 52119.4497 -109213.3345 299.5312 -161332.7843 -108848.0022 299.9489 -53.7572 -26.6022 759563.6924 -6.5524 -6.4256 PRESSURE: 1243800 59.2459 -76.0269 104.601 -76.0263 110.34 -132.6 104.603 -132.599 242.601 GPRESSURE: 1243800 91.9456 -140.773 72.7484 -44.6275 145.604 -149.1 67.8048 84.5271 251.809 PRESSAVG: 1243800 -17.1141 -45.7944 16.4948 -45.7943 -26.7579 50.1718 16.4948 50.1718 -0.898407 GPRESSAVG: 1243800 -14.7788 -45.0446 16.0662 -46.0923 -27.519 49.4205 17.0755 50.3131 -2.60762 TIMING: 1243800 CPU: 4000, 0.00318482/step Wall: 4000, 0.00318482/step, 3.323 hours remaining, 231.093750 MB of memory in use. ENERGY: 1243800 3965.4781 20537.8178 14506.3317 227.5276 -203141.9222 2549.8481 0.0000 0.0000 52173.4199 -109181.4990 299.8414 -161354.9189 -108818.8936 300.0190 137.3955 163.1195 761390.9539 -14.9235 -14.9685 PRESSURE: 1244000 -79.6396 -235.943 -399.181 -235.943 -291.374 -87.3856 -399.18 -87.3854 501.367 GPRESSURE: 1244000 -77.252 -131.38 -429.614 -243.356 -236.108 -67.6541 -339.878 -35.566 518.498 PRESSAVG: 1244000 -20.2002 -38.873 -4.91632 -38.873 -32.5649 -69.5362 -4.91641 -69.5362 8.82668 GPRESSAVG: 1244000 -21.6783 -37.4942 -3.09025 -39.9591 -33.6782 -68.6832 -6.84005 -68.8243 10.6 TIMING: 1244000 CPU: 4000.63, 0.0031648/step Wall: 4000.63, 0.0031648/step, 3.30194 hours remaining, 231.093750 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: 1244000 3956.5070 20564.4615 14516.5384 261.1298 -202878.7638 2399.0635 0.0000 0.0000 52074.4102 -109106.6534 299.2724 -161181.0636 -108745.3045 299.4859 43.4510 68.3794 761941.9774 -14.6461 -14.9188 PRESSURE: 1244200 -203.705 -266.27 14.0906 -266.27 -93.5886 121.293 14.0911 121.293 -97.7785 GPRESSURE: 1244200 -155.761 -416.419 19.0549 -220.382 -28.5614 50.3786 -40.1836 55.4703 -94.974 PRESSAVG: 1244200 17.9679 -27.9816 -37.6871 -27.9815 17.0357 -12.9654 -37.6872 -12.9654 11.0492 GPRESSAVG: 1244200 18.3758 -29.2152 -36.72 -25.9621 17.2299 -13.2026 -38.4873 -14.1986 10.6691 TIMING: 1244200 CPU: 4001.26, 0.00315433/step Wall: 4001.26, 0.00315433/step, 3.29084 hours remaining, 231.093750 MB of memory in use. ENERGY: 1244200 3951.1144 20476.8022 14465.7635 238.9443 -202879.1118 2273.1243 0.0000 0.0000 52271.0731 -109202.2900 300.4026 -161473.3631 -108833.3396 300.1074 -131.6906 -93.0989 762394.7062 15.3509 15.4249 LDB: ============= START OF LOAD BALANCING ============== 4013.68 LDB: ============== END OF LOAD BALANCING =============== 4013.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4013.68 LDB: ============= START OF LOAD BALANCING ============== 4014 LDB: Largest compute 7055 load 0.035229 is 18.0% of average load 0.195192 LDB: Average compute 0.004418 is 2.3% of average load 0.195192 LDB: TIME 4014.01 LOAD: AVG 0.195192 MAX 0.216148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.883 MB LDB: TIME 4014.01 LOAD: AVG 0.195192 MAX 0.216148 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.887 MB LDB: TIME 4014.01 LOAD: AVG 0.195192 MAX 0.216148 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.887 MB LDB: ============== END OF LOAD BALANCING =============== 4014.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4014.01 PRESSURE: 1244400 158.093 -40.2702 10.0796 -40.2701 -258.14 -232.933 10.0795 -232.933 -120.382 GPRESSURE: 1244400 181.778 -99.9724 -34.7839 -93.6801 -279.213 -258.116 -174.697 -209.059 -53.4734 PRESSAVG: 1244400 -16.266 -29.4208 10.0259 -29.4207 12.1745 -36.9457 10.026 -36.9457 -0.535451 GPRESSAVG: 1244400 -16.8782 -29.2307 9.16422 -30.5152 13.5084 -36.4812 9.96642 -35.6835 -0.556946 TIMING: 1244400 CPU: 4001.91, 0.00323868/step Wall: 4001.91, 0.00323868/step, 3.37866 hours remaining, 230.824219 MB of memory in use. ENERGY: 1244400 3977.5999 20526.5692 14567.6583 252.2648 -202988.5823 2305.3312 0.0000 0.0000 52059.4790 -109299.6799 299.1865 -161359.1589 -108944.4380 299.8267 -73.4763 -50.3026 761547.9313 -1.5423 -1.3089 PRESSURE: 1244600 -41.5345 123.778 -85.8171 123.778 -4.61249 83.2165 -85.8176 83.217 -379.779 GPRESSURE: 1244600 -56.5046 200.005 -59.5055 95.5217 105.141 101.907 -0.429508 68.3827 -378.084 PRESSAVG: 1244600 11.2235 -37.3845 28.9006 -37.3845 -38.0951 -14.7663 28.9007 -14.7662 -10.2026 GPRESSAVG: 1244600 11.9414 -36.0708 28.5923 -38.0449 -38.567 -15.0114 30.291 -15.838 -10.0027 TIMING: 1244600 CPU: 4002.55, 0.00318453/step Wall: 4002.55, 0.00318453/step, 3.32199 hours remaining, 231.136719 MB of memory in use. ENERGY: 1244600 4018.4355 20413.6214 14520.0422 223.1962 -203239.5174 2407.3116 0.0000 0.0000 52262.7568 -109394.1537 300.3548 -161656.9105 -109024.6453 299.8661 -141.9754 -109.8159 761317.1943 -12.3581 -12.2094 PRESSURE: 1244800 5.74117 -160.34 180.292 -160.339 12.4973 -107.128 180.291 -107.127 -225.368 GPRESSURE: 1244800 27.9487 -138.187 143.601 -132.987 28.3484 -202.032 277.005 -128.088 -178.765 PRESSAVG: 1244800 57.6231 -15.0028 -2.8778 -15.0028 -33.6916 -55.4114 -2.8778 -55.4114 -5.18677 GPRESSAVG: 1244800 57.7794 -12.8625 -3.21149 -14.5556 -34.8545 -56.8668 -4.10882 -55.6338 -4.10157 TIMING: 1244800 CPU: 4003.18, 0.00317849/step Wall: 4003.18, 0.00317849/step, 3.31552 hours remaining, 231.136719 MB of memory in use. ENERGY: 1244800 3975.4685 20560.6755 14472.8287 241.7734 -203150.0914 2255.7201 0.0000 0.0000 52198.8271 -109444.7980 299.9874 -161643.6251 -109082.6743 299.6519 -69.0432 -40.8225 760318.4609 6.2482 6.2744 PRESSURE: 1245000 -360.409 -17.5428 -77.6698 -17.5429 -272.646 36.9688 -77.6698 36.9689 -76.9817 GPRESSURE: 1245000 -336.395 -21.7968 -142.621 -138.74 -163.358 36.6651 68.6163 67.6005 -116.637 PRESSAVG: 1245000 16.9391 -39.1236 -24.9265 -39.1236 12.809 -13.1164 -24.9265 -13.1165 17.7174 GPRESSAVG: 1245000 17.0143 -42.424 -25.426 -38.9076 13.6737 -12.7582 -23.6582 -11.3523 16.9437 TIMING: 1245000 CPU: 4003.81, 0.00315119/step Wall: 4003.81, 0.00315119/step, 3.28687 hours remaining, 231.136719 MB of memory in use. ENERGY: 1245000 4018.0266 20605.8679 14500.4769 261.2443 -203236.4895 2360.8980 0.0000 0.0000 52294.0978 -109195.8781 300.5349 -161489.9759 -108832.7684 299.8485 -236.6789 -205.4634 761556.8639 15.8218 15.8772 PRESSURE: 1245200 -42.8103 -113.324 127.52 -113.323 -268.748 -144.133 127.519 -144.133 -61.5426 GPRESSURE: 1245200 42.1686 -35.8074 217.149 -136.024 -248.219 -96.3469 94.7553 -109.431 -62.0457 PRESSAVG: 1245200 -28.1346 -54.6477 -22.77 -54.6477 22.0031 -11.9153 -22.77 -11.9153 12.0576 GPRESSAVG: 1245200 -28.6507 -53.3073 -23.0097 -55.6009 22.4855 -10.5315 -23.6734 -13.6022 12.073 TIMING: 1245200 CPU: 4004.44, 0.00316598/step Wall: 4004.44, 0.00316598/step, 3.30211 hours remaining, 231.136719 MB of memory in use. ENERGY: 1245200 4045.5021 20596.3454 14486.4374 243.6332 -203326.0368 2503.3550 0.0000 0.0000 52245.4424 -109205.3212 300.2553 -161450.7636 -108832.5664 299.9762 -124.3669 -89.3653 761120.9416 1.9754 1.9693 PRESSURE: 1245400 25.2441 78.1396 -66.3962 78.1388 121.653 -111.532 -66.396 -111.533 469.196 GPRESSURE: 1245400 53.1693 49.6696 -61.6222 26.6567 26.7065 -139.31 -112.927 -112.108 602.844 PRESSAVG: 1245400 8.29676 -27.4191 0.228841 -27.4191 9.66278 -45.9813 0.228858 -45.9813 -35.0123 GPRESSAVG: 1245400 9.63319 -28.6768 0.964254 -26.1962 8.95762 -46.7936 0.316328 -43.5059 -35.2021 TIMING: 1245400 CPU: 4005.08, 0.00317045/step Wall: 4005.08, 0.00317045/step, 3.30661 hours remaining, 231.136719 MB of memory in use. ENERGY: 1245400 4024.2647 20557.2923 14509.7179 232.5536 -203921.9602 2909.0601 0.0000 0.0000 52156.9429 -109532.1288 299.7467 -161689.0716 -109177.2069 299.4568 205.3642 227.5732 759705.1967 -5.6842 -5.5371 PRESSURE: 1245600 214.388 119.244 -152.098 119.244 -214.824 -111.677 -152.097 -111.678 -132.226 GPRESSURE: 1245600 189.47 139.594 -83.7472 122.073 -118.707 -86.4658 -149.058 8.56417 -99.2131 PRESSAVG: 1245600 80.5367 5.0199 25.3672 5.01989 -46.7128 -42.7094 25.3672 -42.7095 -2.62177 GPRESSAVG: 1245600 78.4547 4.62444 26.0768 4.05961 -45.8194 -42.6455 25.11 -44.472 -1.98 TIMING: 1245600 CPU: 4005.71, 0.00315214/step Wall: 4005.71, 0.00315214/step, 3.28733 hours remaining, 231.136719 MB of memory in use. ENERGY: 1245600 3956.9904 20598.4939 14469.9709 250.3822 -203441.6204 2461.8276 0.0000 0.0000 52081.8103 -109622.1452 299.3149 -161703.9555 -109261.9554 299.3696 -44.2205 -9.4833 760653.7721 10.4007 10.2184 PRESSURE: 1245800 -17.8652 -30.8018 104.957 -30.8027 44.3399 0.775336 104.957 0.775693 -252.544 GPRESSURE: 1245800 45.9751 -96.4191 95.2725 -185.317 8.7185 46.1444 204.231 -29.9441 -193.34 PRESSAVG: 1245800 83.291 -42.848 -23.6038 -42.848 -90.4681 -31.5873 -23.6038 -31.5873 -22.7487 GPRESSAVG: 1245800 83.6649 -44.0212 -22.0818 -40.8343 -91.5104 -30.2461 -24.4771 -29.985 -21.7919 TIMING: 1245800 CPU: 4006.34, 0.0031671/step Wall: 4006.34, 0.0031671/step, 3.30276 hours remaining, 231.136719 MB of memory in use. ENERGY: 1245800 4014.0406 20422.3439 14460.2235 254.9291 -204021.9739 3105.6650 0.0000 0.0000 52127.3514 -109637.4204 299.5766 -161764.7717 -109272.7579 299.1303 -75.3563 -46.2154 759589.7008 -9.9752 -9.8791 PRESSURE: 1246000 42.8564 -214.192 -101.652 -214.192 -173.439 65.1625 -101.652 65.1622 51.3918 GPRESSURE: 1246000 78.0995 -279.073 -15.5714 -138.188 -91.7099 56.7019 -179.597 116.732 14.1985 PRESSAVG: 1246000 58.5989 -58.7833 -18.3077 -58.7833 14.1302 -39.1385 -18.3077 -39.1386 3.39689 GPRESSAVG: 1246000 59.0845 -56.2676 -19.11 -59.8449 14.2595 -41.0156 -17.4551 -40.1109 2.83318 TIMING: 1246000 CPU: 4006.98, 0.0031697/step Wall: 4006.98, 0.0031697/step, 3.30529 hours remaining, 231.136719 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: 1246000 3990.8039 20628.5268 14435.5035 238.8081 -203539.1678 2487.3968 0.0000 0.0000 52314.5411 -109443.5876 300.6524 -161758.1287 -109080.3489 299.8425 -26.3969 0.1960 759133.1056 25.3753 25.3924 PRESSURE: 1246200 -254.368 -5.88113 -109.828 -5.88059 -60.4776 -69.7513 -109.828 -69.7519 -138.114 GPRESSURE: 1246200 -178.715 3.10178 -104.746 10.0278 -11.0985 -98.1817 -95.6821 -238.991 -160.603 PRESSAVG: 1246200 17.4608 -41.7796 -1.3977 -41.7795 5.49924 -57.9108 -1.39768 -57.9109 27.043 GPRESSAVG: 1246200 18.0521 -43.2075 -2.99816 -41.3318 6.37703 -57.0011 -0.720062 -59.4136 25.2436 TIMING: 1246200 CPU: 4007.61, 0.00315976/step Wall: 4007.61, 0.00315976/step, 3.29476 hours remaining, 231.136719 MB of memory in use. ENERGY: 1246200 3994.0387 20368.9418 14495.4342 256.3662 -203312.4111 2414.3146 0.0000 0.0000 52200.2684 -109583.0474 299.9957 -161783.3158 -109221.1057 299.6845 -150.9864 -116.8057 759446.2150 16.6677 16.5576 PRESSURE: 1246400 -21.2993 -15.071 -51.6776 -15.0708 -229.359 17.8648 -51.6768 17.8639 251.006 GPRESSURE: 1246400 -11.4195 21.6335 4.38978 -111.183 -131.24 17.7607 -176.083 97.7168 239.634 PRESSAVG: 1246400 -20.1167 -58.7536 3.4656 -58.7536 -8.77679 21.4656 3.4656 21.4656 -38.5732 GPRESSAVG: 1246400 -21.3994 -58.3576 4.46898 -59.9768 -7.56532 21.7648 1.2157 20.8229 -38.2222 TIMING: 1246400 CPU: 4008.24, 0.0031531/step Wall: 4008.24, 0.0031531/step, 3.28763 hours remaining, 231.136719 MB of memory in use. ENERGY: 1246400 3988.4288 20636.8758 14456.9736 248.6538 -203067.3806 2231.0263 0.0000 0.0000 52015.8961 -109489.5261 298.9361 -161505.4223 -109126.5530 299.6054 0.1160 32.3248 760301.3776 -22.4889 -22.3957 PRESSURE: 1246600 -225.23 75.1119 -183.719 75.1122 8.63542 47.1936 -183.719 47.1927 36.3905 GPRESSURE: 1246600 -171.111 87.3449 -216.193 119.879 59.0058 84.0717 -136.672 76.5866 16.2809 PRESSAVG: 1246600 -36.6254 10.6338 -18.2418 10.6337 45.2525 21.0599 -18.2418 21.0599 2.76922 GPRESSAVG: 1246600 -35.7278 11.3024 -17.698 10.4273 44.0517 20.4129 -17.235 22.9829 2.92755 TIMING: 1246600 CPU: 4008.87, 0.00314532/step Wall: 4008.87, 0.00314532/step, 3.27935 hours remaining, 231.136719 MB of memory in use. ENERGY: 1246600 4028.2121 20576.1685 14542.7164 230.3601 -203418.9174 2458.9591 0.0000 0.0000 52075.1661 -109507.3351 299.2767 -161582.5012 -109144.5175 300.0185 -60.0680 -31.9414 760396.5701 3.7988 3.7505 PRESSURE: 1246800 75.5068 -94.4922 392.045 -94.4933 -348.729 209.914 392.045 209.915 106.511 GPRESSURE: 1246800 47.9023 -41.6612 293.605 -69.8909 -291.806 230.071 367.806 46.2513 130.839 PRESSAVG: 1246800 26.9601 6.49622 34.1817 6.49628 -20.0672 1.65896 34.1817 1.659 -9.88733 GPRESSAVG: 1246800 26.8318 3.65967 32.0395 7.15128 -21.392 1.79637 35.8952 0.935855 -9.48743 TIMING: 1246800 CPU: 4009.51, 0.00319934/step Wall: 4009.51, 0.00319934/step, 3.33549 hours remaining, 231.136719 MB of memory in use. ENERGY: 1246800 3974.9333 20667.0559 14496.7933 253.9613 -203579.1401 2459.1896 0.0000 0.0000 52138.9975 -109588.2092 299.6435 -161727.2067 -109223.3137 299.6125 -55.5706 -37.6883 760733.9019 -0.9982 -1.3492 PRESSURE: 1247000 -366.661 -204.756 281.822 -204.755 17.4294 67.4329 281.821 67.4324 -272.415 GPRESSURE: 1247000 -299.966 -228.277 274.917 -243.581 26.2549 114.23 215.466 40.2966 -246.967 PRESSAVG: 1247000 38.9184 -30.4204 17.7058 -30.4204 -10.4601 -5.89548 17.7057 -5.89548 -2.59745 GPRESSAVG: 1247000 39.853 -29.017 19.9273 -30.947 -10.4512 -5.58995 17.3316 -4.26095 -3.61184 TIMING: 1247000 CPU: 4010.15, 0.00321008/step Wall: 4010.15, 0.00321008/step, 3.34651 hours remaining, 231.136719 MB of memory in use. ENERGY: 1247000 4006.8808 20616.0881 14502.6707 257.9082 -203536.4402 2385.5759 0.0000 0.0000 52188.6822 -109578.6344 299.9291 -161767.3166 -109210.7671 299.5991 -207.2153 -173.5592 759334.0287 8.6203 8.5967 PRESSURE: 1247200 -0.397886 -118.04 100.268 -118.04 165.012 64.022 100.268 64.0208 -246.118 GPRESSURE: 1247200 -41.7831 -78.402 -34.0163 -106.602 244.597 104.96 121.131 65.787 -197.91 PRESSAVG: 1247200 -29.69 -50.5052 1.15507 -50.5053 -10.912 -14.3628 1.15514 -14.3628 -7.34703 GPRESSAVG: 1247200 -31.2263 -50.8628 0.4485 -51.5235 -9.95035 -14.2737 -0.24468 -15.5629 -6.45295 TIMING: 1247200 CPU: 4010.79, 0.00317999/step Wall: 4010.79, 0.00317999/step, 3.31496 hours remaining, 231.136719 MB of memory in use. ENERGY: 1247200 3967.4455 20610.2578 14470.6774 241.7104 -203477.1238 2334.2935 0.0000 0.0000 52372.4616 -109480.2775 300.9853 -161852.7391 -109113.0244 300.1172 -27.1678 1.6345 760274.4592 -15.9830 -15.8766 PRESSURE: 1247400 57.6986 -89.3677 -146.978 -89.3689 -106.089 20.0931 -146.978 20.0935 120.641 GPRESSURE: 1247400 172.218 -108.384 -183.243 -162.388 -59.0986 29.5236 -98.0544 82.6923 28.6489 PRESSAVG: 1247400 23.0804 -42.9406 -35.4053 -42.9406 -23.8993 61.5917 -35.4052 61.5916 -19.3632 GPRESSAVG: 1247400 23.1945 -43.1585 -36.1819 -44.4602 -23.5923 61.5907 -34.2389 62.5351 -19.8361 TIMING: 1247400 CPU: 4011.42, 0.00318627/step Wall: 4011.42, 0.00318627/step, 3.32134 hours remaining, 231.136719 MB of memory in use. ENERGY: 1247400 4020.7768 20395.7662 14485.5054 269.6066 -203406.4301 2516.7112 0.0000 0.0000 52015.7171 -109702.3469 298.9350 -161718.0640 -109343.7026 299.4604 24.0833 47.2563 761825.7091 -6.7274 -6.7446 PRESSURE: 1247600 -218.276 177.091 6.50008 177.092 93.1577 24.7171 6.50068 24.7173 431.823 GPRESSURE: 1247600 -182.396 110.543 11.931 216.646 151.881 -28.1907 -50.5391 -27.4599 427.786 PRESSAVG: 1247600 48.888 -23.8377 -35.8715 -23.8377 -35.733 -5.50048 -35.8715 -5.50057 1.8902 GPRESSAVG: 1247600 49.2815 -24.1637 -34.878 -22.0385 -36.0036 -5.41054 -35.3614 -7.67728 1.38092 TIMING: 1247600 CPU: 4012.06, 0.00317694/step Wall: 4012.06, 0.00317694/step, 3.31143 hours remaining, 231.136719 MB of memory in use. ENERGY: 1247600 3991.9708 20457.6341 14444.2008 247.7818 -203271.9205 2374.7405 0.0000 0.0000 52133.8758 -109621.7168 299.6141 -161755.5926 -109259.4139 298.5371 102.2349 132.4238 760476.0367 5.0151 4.8863 PRESSURE: 1247800 368.96 111.18 -230.487 111.18 63.0841 12.1584 -230.486 12.1581 224.888 GPRESSURE: 1247800 401.264 16.1992 -203.511 82.2941 90.8292 96.0285 -223.771 31.1424 251.517 PRESSAVG: 1247800 35.1354 -1.5061 24.0031 -1.50607 -21.8732 29.8811 24.003 29.8811 -1.14165 GPRESSAVG: 1247800 35.3205 -1.49227 25.3668 -0.139085 -23.2371 29.162 23.1054 32.9649 0.12267 TIMING: 1247800 CPU: 4012.7, 0.00321708/step Wall: 4012.7, 0.00321708/step, 3.35309 hours remaining, 231.136719 MB of memory in use. ENERGY: 1247800 3940.2560 20548.3234 14531.7883 246.8859 -203778.0092 2750.1339 0.0000 0.0000 52120.4636 -109640.1580 299.5370 -161760.6216 -109283.5166 299.2216 218.9774 247.8700 759698.2333 4.0402 4.0687 PRESSURE: 1248000 -17.3037 -113.373 183.724 -113.373 32.7591 352.805 183.724 352.804 197.376 GPRESSURE: 1248000 13.1318 -103.944 108.947 -93.3143 97.8442 353.996 169.209 287.26 181.696 PRESSAVG: 1248000 28.141 -81.3129 14.2829 -81.3128 -4.19817 -31.2719 14.2829 -31.2718 1.44078 GPRESSAVG: 1248000 28.1325 -82.0316 12.0918 -82.7606 -3.24737 -28.621 13.2164 -35.6107 0.81297 TIMING: 1248000 CPU: 4013.34, 0.00317704/step Wall: 4013.34, 0.00317704/step, 3.31118 hours remaining, 231.136719 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: 1248000 4042.0804 20581.8157 14532.1938 246.2977 -203078.3573 2319.4816 0.0000 0.0000 52109.0979 -109247.3902 299.4717 -161356.4881 -108880.8441 299.8798 70.9437 97.5572 760129.1079 8.4612 8.5660 PRESSURE: 1248200 -414.789 -119.768 -130.602 -119.769 -483.685 26.723 -130.602 26.7221 -115.292 GPRESSURE: 1248200 -320.317 -102.523 -191.186 -302.948 -406.301 72.4136 -192.866 121.504 -211.249 PRESSAVG: 1248200 -29.2568 -80.0402 -15.0081 -80.0402 -17.4566 9.42471 -15.008 9.42473 -17.3923 GPRESSAVG: 1248200 -28.5268 -79.0857 -14.9145 -80.6602 -18.1616 8.91728 -12.2648 11.8775 -17.3401 TIMING: 1248200 CPU: 4013.97, 0.00316572/step Wall: 4013.97, 0.00316572/step, 3.29921 hours remaining, 231.136719 MB of memory in use. ENERGY: 1248200 4049.1836 20617.9264 14544.6480 250.0510 -203100.6103 2346.0736 0.0000 0.0000 52358.6147 -108934.1130 300.9057 -161292.7277 -108569.3338 300.6515 -337.9219 -312.6224 760134.9981 -21.3686 -21.3429 LDB: ============= START OF LOAD BALANCING ============== 4026.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4026.39 LDB: =============== DONE WITH MIGRATION ================ 4026.39 LDB: ============= START OF LOAD BALANCING ============== 4026.71 LDB: Largest compute 7034 load 0.033575 is 17.2% of average load 0.195213 LDB: Average compute 0.004394 is 2.3% of average load 0.195213 LDB: TIME 4026.71 LOAD: AVG 0.195213 MAX 0.212779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.559 MB LDB: TIME 4026.71 LOAD: AVG 0.195213 MAX 0.212779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.629 MB LDB: TIME 4026.72 LOAD: AVG 0.195213 MAX 0.212779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.629 MB LDB: ============== END OF LOAD BALANCING =============== 4026.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4026.72 PRESSURE: 1248400 115.378 -13.7087 50.5375 -13.7092 88.6933 171.296 50.5375 171.296 -173.111 GPRESSURE: 1248400 171.697 3.36142 -8.6255 -66.5399 122.009 108.913 97.0095 97.775 -167.789 PRESSAVG: 1248400 44.9476 -83.4632 30.832 -83.4632 -53.1667 -3.89844 30.832 -3.89846 3.36938 GPRESSAVG: 1248400 43.113 -83.882 31.4203 -82.8797 -51.0012 -6.1023 30.3078 -4.37516 3.60268 TIMING: 1248400 CPU: 4014.62, 0.00322753/step Wall: 4014.62, 0.00322753/step, 3.36344 hours remaining, 233.320312 MB of memory in use. ENERGY: 1248400 3881.1647 20607.7038 14482.7773 239.1083 -203081.0936 2336.3648 0.0000 0.0000 52489.8293 -109044.1454 301.6598 -161533.9747 -108677.1498 300.5701 10.3200 41.9723 759418.4056 -1.6166 -1.4285 PRESSURE: 1248600 -332.917 -0.132012 -113.504 -0.132231 -248.071 -50.1348 -113.505 -50.1345 -16.0085 GPRESSURE: 1248600 -349.986 25.2097 -52.0591 83.5806 -134.839 -96.9525 -139.034 87.3523 -9.22682 PRESSAVG: 1248600 21.9026 5.65119 -47.3769 5.65113 -20.507 38.5858 -47.3769 38.5858 9.16432 GPRESSAVG: 1248600 22.5952 5.50366 -48.1295 5.80038 -21.4335 40.0901 -47.7852 38.2577 9.40459 TIMING: 1248600 CPU: 4015.25, 0.00314616/step Wall: 4015.25, 0.00314616/step, 3.27847 hours remaining, 233.320312 MB of memory in use. ENERGY: 1248600 3945.2898 20495.6153 14552.2139 242.2763 -202581.0404 1998.0736 0.0000 0.0000 52393.8157 -108953.7559 301.1080 -161347.5716 -108586.7152 300.7048 -198.9986 -164.6838 761781.3042 3.5200 3.5221 PRESSURE: 1248800 -161.655 27.4646 22.6775 27.4649 -188.437 -69.5943 22.677 -69.5948 -91.4051 GPRESSURE: 1248800 -153.286 44.302 -38.1916 30.1231 -142.356 -91.8808 17.135 27.1551 -56.5026 PRESSAVG: 1248800 -12.3505 -5.46291 -79.1158 -5.46302 31.5554 -7.22366 -79.1158 -7.22364 11.6221 GPRESSAVG: 1248800 -11.2524 -4.7833 -79.8171 -5.49231 30.7854 -6.89921 -79.7009 -7.10673 11.4055 TIMING: 1248800 CPU: 4015.88, 0.00315208/step Wall: 4015.88, 0.00315208/step, 3.28446 hours remaining, 233.390625 MB of memory in use. ENERGY: 1248800 3987.5396 20339.0166 14529.1748 245.8906 -203138.3116 2650.3696 0.0000 0.0000 52528.7420 -108857.5784 301.8834 -161386.3203 -108490.5685 301.1621 -147.1655 -117.3817 761078.4315 10.2757 10.3128 PRESSURE: 1249000 -69.0566 53.5061 -87.388 53.5066 -203.982 -54.5579 -87.3882 -54.5579 -145.138 GPRESSURE: 1249000 -87.5223 94.5253 -95.3907 112.032 -159.987 -73.3251 -92.6997 -9.33839 -86.4756 PRESSAVG: 1249000 8.51525 -53.5801 37.7877 -53.5801 -8.79776 -29.8579 37.7877 -29.8579 -2.48358 GPRESSAVG: 1249000 8.88628 -54.6341 38.2109 -54.4139 -8.35169 -29.3883 37.9411 -30.9409 -3.38175 TIMING: 1249000 CPU: 4016.5, 0.00314499/step Wall: 4016.5, 0.00314499/step, 3.27691 hours remaining, 233.531250 MB of memory in use. ENERGY: 1249000 4021.5394 20573.7958 14518.0344 248.2648 -202729.2929 2095.3421 0.0000 0.0000 52107.7416 -109164.5748 299.4639 -161272.3164 -108802.8640 300.9346 -139.3922 -111.3283 759709.9675 -0.9220 -0.9491 PRESSURE: 1249200 -123.609 33.0984 170.831 33.0985 -248.464 288.876 170.832 288.877 141.108 GPRESSURE: 1249200 -133.321 64.3511 233.935 38.1378 -145.979 292.828 267.854 376.351 139.978 PRESSAVG: 1249200 -12.1281 -4.7478 15.0893 -4.74777 15.7106 11.5758 15.0893 11.5758 9.86012 GPRESSAVG: 1249200 -13.2301 -4.15351 14.8846 -5.28807 15.2066 9.45499 15.8125 12.5627 11.0514 TIMING: 1249200 CPU: 4017.14, 0.00315607/step Wall: 4017.14, 0.00315607/step, 3.28827 hours remaining, 233.734375 MB of memory in use. ENERGY: 1249200 3949.9083 20530.6873 14512.7418 240.3682 -203047.4261 2351.8010 0.0000 0.0000 52359.7942 -109102.1253 300.9125 -161461.9195 -108737.9882 300.1678 -76.9882 -46.4406 760266.8270 4.4809 4.3427 PRESSURE: 1249400 225.797 91.5885 -36.7923 91.5884 45.3662 99.2788 -36.7913 99.2789 32.7237 GPRESSURE: 1249400 169.308 133.324 -121.389 42.7584 76.4405 45.0917 -115.952 34.6179 131.718 PRESSAVG: 1249400 10.7931 -3.46572 -64.6817 -3.46577 -10.7786 -34.8788 -64.6817 -34.8788 12.0107 GPRESSAVG: 1249400 9.93554 -2.47719 -64.7373 -3.8644 -9.61222 -33.4828 -65.3029 -35.6016 12.2014 TIMING: 1249400 CPU: 4017.77, 0.00315379/step Wall: 4017.77, 0.00315379/step, 3.28572 hours remaining, 233.734375 MB of memory in use. ENERGY: 1249400 3980.6139 20665.0578 14547.3093 236.2770 -203244.7249 2438.1785 0.0000 0.0000 52123.9352 -109253.3531 299.5570 -161377.2883 -108898.7664 300.3269 101.2956 125.8220 760849.2373 4.0084 4.1749 PRESSURE: 1249600 -141.302 21.3908 -88.6467 21.3907 -326.804 78.6689 -88.6474 78.6698 276.386 GPRESSURE: 1249600 -74.4578 -37.3858 -63.0297 -20.4915 -305.598 13.971 -69.7519 9.92985 272.081 PRESSAVG: 1249600 34.8329 -59.1758 -5.11632 -59.1759 -19.3827 3.00224 -5.11634 3.00227 -9.61772 GPRESSAVG: 1249600 36.0162 -61.1348 -3.5168 -58.6094 -20.5247 2.79138 -7.24814 2.7563 -9.60444 TIMING: 1249600 CPU: 4018.4, 0.00315224/step Wall: 4018.4, 0.00315224/step, 3.28394 hours remaining, 233.734375 MB of memory in use. ENERGY: 1249600 3997.9494 20552.9451 14509.4345 252.6120 -202743.9097 2166.8069 0.0000 0.0000 52247.6374 -109016.5243 300.2679 -161264.1617 -108661.6016 299.9516 -63.9066 -35.9918 760925.9136 1.9441 1.9623 PRESSURE: 1249800 287.099 216.555 7.45507 216.555 -149.608 -57.6459 7.4549 -57.6456 -60.914 GPRESSURE: 1249800 231.911 119.205 13.6818 170.732 -8.6 -70.4666 -64.9358 -81.3157 -53.78 PRESSAVG: 1249800 0.408997 41.2742 15.6228 41.2742 15.4719 24.7494 15.6228 24.7494 -11.6745 GPRESSAVG: 1249800 -0.0270301 43.3111 14.2702 40.5641 15.7611 25.4369 18.015 25.3868 -11.6866 TIMING: 1249800 CPU: 4019.03, 0.00315947/step Wall: 4019.03, 0.00315948/step, 3.2913 hours remaining, 233.804688 MB of memory in use. ENERGY: 1249800 3924.4236 20566.5137 14421.6320 261.4506 -202855.0751 2391.0816 0.0000 0.0000 52186.8471 -109103.1265 299.9185 -161289.9736 -108738.1453 300.3026 25.5255 56.5102 761281.0271 1.4021 1.3492 PRESSURE: 1250000 -238.2 215.096 -112.253 215.096 67.5228 -39.4098 -112.253 -39.41 -451.964 GPRESSURE: 1250000 -156.429 189.021 -191.2 193.889 19.9228 4.72345 -125.406 -44.1813 -403.376 PRESSAVG: 1250000 30.2314 0.176241 40.9862 0.176238 -4.11394 -24.6215 40.9862 -24.6215 -1.9626 GPRESSAVG: 1250000 31.9888 -2.28778 41.2723 0.783388 -4.75577 -24.0678 40.332 -25.2503 -2.96473 TIMING: 1250000 CPU: 4019.66, 0.0031473/step Wall: 4019.66, 0.0031473/step, 3.27844 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1250000 4032.6734 20605.3533 14548.8572 247.9555 -203039.7277 2369.2970 0.0000 0.0000 52154.0428 -109081.5485 299.7300 -161235.5913 -108726.8140 300.1971 -207.5472 -179.9604 760202.8658 8.0516 8.0894 PRESSURE: 1250200 -0.507592 89.7622 -190.239 89.7617 -184.696 -52.3941 -190.24 -52.3934 146.805 GPRESSURE: 1250200 39.7047 117.1 -216.638 15.9793 -124.684 21.9991 -26.0575 -56.1927 122.426 PRESSAVG: 1250200 -38.5669 -73.9827 -65.8644 -73.9827 35.4469 9.51841 -65.8644 9.51833 27.3322 GPRESSAVG: 1250200 -37.6254 -74.8445 -64.8732 -72.3767 35.1301 8.68004 -66.4951 13.1637 27.0331 TIMING: 1250200 CPU: 4020.29, 0.0031644/step Wall: 4020.29, 0.0031644/step, 3.29608 hours remaining, 233.804688 MB of memory in use. ENERGY: 1250200 3933.5804 20504.5765 14526.4855 245.0760 -202975.4031 2190.0928 0.0000 0.0000 52406.1547 -109169.4372 301.1789 -161575.5919 -108803.3593 300.4198 -12.7998 12.4821 761836.9027 8.0707 8.1793 PRESSURE: 1250400 504.724 -64.0559 -4.22105 -64.0549 69.9573 14.7459 -4.22105 14.7458 409.715 GPRESSURE: 1250400 479.062 -7.99559 -83.0571 -22.6037 92.211 27.3433 -71.5289 -72.4038 479.064 PRESSAVG: 1250400 -6.33894 -14.3711 -43.9084 -14.3711 -13.6315 -22.6064 -43.9084 -22.6064 -0.54465 GPRESSAVG: 1250400 -7.9801 -11.5515 -45.5934 -14.1057 -12.471 -24.5934 -42.4858 -24.8561 -0.554579 TIMING: 1250400 CPU: 4020.92, 0.00316702/step Wall: 4020.92, 0.00316702/step, 3.29863 hours remaining, 233.804688 MB of memory in use. ENERGY: 1250400 3866.3416 20653.3376 14483.8460 263.0898 -203290.4648 2597.4761 0.0000 0.0000 52146.7083 -109279.6653 299.6878 -161426.3736 -108909.1157 300.2233 328.1319 350.1124 759227.6270 -6.8384 -7.0019 PRESSURE: 1250600 102.549 -3.90122 205.005 -3.90201 -142.726 116.676 205.005 116.676 252.501 GPRESSURE: 1250600 185.179 -67.297 201.168 -23.2173 -115.355 158.922 164.452 120.173 247.566 PRESSAVG: 1250600 -15.0227 14.2885 -53.271 14.2885 5.88079 -31.5573 -53.2711 -31.5572 0.16068 GPRESSAVG: 1250600 -15.0011 13.5159 -52.6496 12.7294 5.68693 -30.6871 -53.8825 -30.004 0.0301284 TIMING: 1250600 CPU: 4021.55, 0.00313893/step Wall: 4021.55, 0.00313893/step, 3.26919 hours remaining, 233.804688 MB of memory in use. ENERGY: 1250600 3932.3895 20593.7488 14491.6252 268.6283 -203063.3991 2411.8811 0.0000 0.0000 52053.0459 -109312.0803 299.1496 -161365.1262 -108952.8939 299.9573 70.7749 105.7967 760759.9005 -2.9937 -3.0947 PRESSURE: 1250800 309.81 114.901 -110.213 114.9 -156.07 -73.0432 -110.213 -73.0419 56.0868 GPRESSURE: 1250800 240.5 84.7495 -102.512 66.4586 -54.5522 -40.6556 -70.2953 -13.6523 121.871 PRESSAVG: 1250800 -8.31251 -13.8982 32.4107 -13.8981 -7.69718 32.4745 32.4107 32.4745 8.34406 GPRESSAVG: 1250800 -9.3959 -14.794 31.4867 -14.4084 -7.78087 32.9134 31.4343 30.8752 9.72333 TIMING: 1250800 CPU: 4022.18, 0.00315546/step Wall: 4022.18, 0.00315546/step, 3.28623 hours remaining, 233.804688 MB of memory in use. ENERGY: 1250800 3920.6345 20681.3090 14456.3904 265.9325 -203333.5022 2623.0812 0.0000 0.0000 52133.1567 -109252.9977 299.6100 -161386.1545 -108901.4135 300.0598 69.9422 102.6064 760542.0486 -2.5552 -2.4845 PRESSURE: 1251000 191.032 97.9976 -39.2516 97.9975 300.904 -132.4 -39.252 -132.399 154.031 GPRESSURE: 1251000 253.817 126.102 -52.88 20.7766 315.472 -116.386 -67.4093 -113.275 171.137 PRESSAVG: 1251000 6.89635 -0.835759 -8.43977 -0.835723 -23.4766 -36.1903 -8.43969 -36.1903 6.44067 GPRESSAVG: 1251000 8.69854 -1.09678 -7.17077 -0.0462022 -23.607 -36.4416 -6.61518 -34.5595 5.0038 TIMING: 1251000 CPU: 4022.81, 0.00314462/step Wall: 4022.81, 0.00314462/step, 3.27477 hours remaining, 233.804688 MB of memory in use. ENERGY: 1251000 3940.7355 20370.9694 14463.9093 254.0991 -203392.7159 2687.4592 0.0000 0.0000 52137.8291 -109537.7143 299.6368 -161675.5433 -109166.7511 300.2523 215.3224 246.8085 760385.5833 -3.3799 -3.3015 PRESSURE: 1251200 60.3339 -26.3403 -28.7199 -26.3389 160.902 3.78836 -28.7208 3.78849 247.221 GPRESSURE: 1251200 79.4099 -146.646 8.43512 -1.55348 233.557 42.8642 11.2547 14.549 246.21 PRESSAVG: 1251200 14.4587 31.831 35.7609 31.831 -24.5563 21.6088 35.7609 21.6087 -5.87821 GPRESSAVG: 1251200 14.0695 32.1113 35.5008 33.0584 -24.7493 20.3865 36.8651 21.6317 -5.56366 TIMING: 1251200 CPU: 4023.44, 0.00316198/step Wall: 4023.44, 0.00316198/step, 3.29268 hours remaining, 233.804688 MB of memory in use. ENERGY: 1251200 3935.7049 20404.8547 14523.3749 266.1379 -203616.3815 2330.3081 0.0000 0.0000 52354.0755 -109801.9254 300.8796 -162156.0010 -109434.7021 299.2409 156.1522 186.3926 759485.1816 -5.3253 -5.4145 PRESSURE: 1251400 57.5109 -174.297 280.052 -174.297 134.252 -47.7469 280.053 -47.747 72.1998 GPRESSURE: 1251400 102.254 -91.9444 176.566 -143.713 157.67 10.451 206.661 -114.141 97.6087 PRESSAVG: 1251400 -54.4594 22.6529 20.665 22.6529 15.8542 -25.1802 20.665 -25.1802 -2.48168 GPRESSAVG: 1251400 -54.982 22.2528 21.2155 23.328 16.7236 -23.9325 19.5293 -26.2578 -2.5952 TIMING: 1251400 CPU: 4024.08, 0.00316405/step Wall: 4024.08, 0.00316405/step, 3.29466 hours remaining, 233.804688 MB of memory in use. ENERGY: 1251400 3941.8055 20466.7493 14470.3022 246.9796 -203489.5663 2649.1302 0.0000 0.0000 51981.4281 -109733.1714 298.7380 -161714.5995 -109369.8295 299.1114 87.9874 119.1774 760505.7624 -13.6956 -13.6178 PRESSURE: 1251600 255.068 -128.952 -121.159 -128.952 45.6053 13.6649 -121.16 13.665 280.244 GPRESSURE: 1251600 366.908 26.2272 -222.571 -138.495 54.6177 40.1316 -115.356 -34.7739 238.08 PRESSAVG: 1251600 -18.8378 -47.4733 13.8603 -47.4733 17.5398 -0.24436 13.8603 -0.244299 19.2811 GPRESSAVG: 1251600 -17.8545 -45.0963 11.6896 -48.0985 17.4326 -0.773615 13.8662 -1.05667 18.5989 TIMING: 1251600 CPU: 4024.71, 0.00316525/step Wall: 4024.71, 0.00316525/step, 3.29573 hours remaining, 233.804688 MB of memory in use. ENERGY: 1251600 3912.8137 20562.8160 14429.3822 249.8585 -203425.3132 2453.5329 0.0000 0.0000 51963.9964 -109852.9135 298.6378 -161816.9100 -109485.6151 299.1150 193.6393 219.8683 759256.3891 5.9944 6.0590 PRESSURE: 1251800 -190.395 48.7198 17.7337 48.7205 -381.525 38.7299 17.7323 38.731 -24.7382 GPRESSURE: 1251800 -224.536 12.7477 80.3708 -5.9501 -328.265 -76.9335 72.5877 -24.1499 40.1407 PRESSAVG: 1251800 37.2196 -13.6595 -30.4346 -13.6594 12.3458 -64.1068 -30.4346 -64.1068 -14.935 GPRESSAVG: 1251800 36.1609 -15.5225 -30.2432 -16.7975 11.4502 -65.7654 -29.2994 -61.5991 -12.4825 TIMING: 1251800 CPU: 4025.34, 0.00314535/step Wall: 4025.34, 0.00314535/step, 3.27484 hours remaining, 233.804688 MB of memory in use. ENERGY: 1251800 3917.6840 20568.4376 14467.1399 259.8710 -203226.5355 2203.1938 0.0000 0.0000 51871.9800 -109938.2292 298.1090 -161810.2092 -109572.8222 298.9410 -198.8859 -170.8868 760283.2515 11.5435 11.7096 PRESSURE: 1252000 122.826 -310.16 -3.97347 -310.16 170.994 134.352 -3.97447 134.351 -15.331 GPRESSURE: 1252000 111.272 -194.473 29.1281 -245.213 245.679 126.548 -107.235 56.4277 22.8372 PRESSAVG: 1252000 -7.47216 -50.6098 44.0504 -50.6098 -0.199221 -20.8468 44.0504 -20.8468 16.4547 GPRESSAVG: 1252000 -9.23251 -49.1366 44.7727 -49.9106 1.56782 -19.2177 43.3755 -21.4658 16.4887 TIMING: 1252000 CPU: 4025.97, 0.00313897/step Wall: 4025.97, 0.00313897/step, 3.26802 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1252000 3922.2564 20466.2432 14495.9106 250.3778 -204023.2490 2846.4262 0.0000 0.0000 52035.5248 -110006.5100 299.0489 -162042.0348 -109651.4120 298.5511 92.8295 126.5962 759807.7204 2.9278 2.9413 PRESSURE: 1252200 -10.5827 109.939 97.0653 109.939 206.991 59.3641 97.0662 59.3636 35.6955 GPRESSURE: 1252200 29.4728 71.0013 158.492 91.4109 219.91 -6.6194 45.3221 6.90855 54.133 PRESSAVG: 1252200 -12.8383 -46.9512 -28.7123 -46.9512 51.1566 -0.895773 -28.7123 -0.895738 -14.561 GPRESSAVG: 1252200 -11.1364 -47.311 -28.2055 -46.7659 49.1951 -2.15519 -30.1048 -2.60795 -14.7599 TIMING: 1252200 CPU: 4026.6, 0.00315329/step Wall: 4026.6, 0.00315329/step, 3.28275 hours remaining, 233.804688 MB of memory in use. ENERGY: 1252200 3937.6498 20372.3655 14449.6241 269.7931 -204142.4790 2946.5960 0.0000 0.0000 52186.3650 -109980.0854 299.9158 -162166.4504 -109616.7028 299.1837 77.3681 101.1719 759956.7407 7.9191 7.7663 LDB: ============= START OF LOAD BALANCING ============== 4039.02 LDB: ============== END OF LOAD BALANCING =============== 4039.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4039.02 LDB: ============= START OF LOAD BALANCING ============== 4039.34 LDB: Largest compute 7078 load 0.035902 is 18.4% of average load 0.195191 LDB: Average compute 0.004407 is 2.3% of average load 0.195191 LDB: TIME 4039.34 LOAD: AVG 0.195191 MAX 0.217459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.312 MB LDB: TIME 4039.34 LOAD: AVG 0.195191 MAX 0.217459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: TIME 4039.34 LOAD: AVG 0.195191 MAX 0.217459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: ============== END OF LOAD BALANCING =============== 4039.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4039.35 PRESSURE: 1252400 -396.203 -84.4389 -5.12939 -84.4389 -313.225 146.035 -5.12926 146.035 31.1531 GPRESSURE: 1252400 -206.665 -74.0281 77.1051 -112.533 -358.792 137.903 44.2397 146.097 -18.1081 PRESSAVG: 1252400 -28.7086 7.7391 -5.96744 7.73906 28.8843 14.0002 -5.96748 14.0002 4.50186 GPRESSAVG: 1252400 -28.4403 6.20462 -5.79315 8.96971 29.8084 15.0933 -6.04055 14.7937 3.61346 TIMING: 1252400 CPU: 4027.24, 0.00322924/step Wall: 4027.24, 0.00322923/step, 3.36163 hours remaining, 231.593750 MB of memory in use. ENERGY: 1252400 3934.8057 20554.6090 14487.5288 288.5561 -203140.9706 2206.0206 0.0000 0.0000 51951.4011 -109718.0494 298.5654 -161669.4504 -109355.3024 298.9919 -226.0916 -194.5218 760539.4949 1.5592 1.6605 PRESSURE: 1252600 -452.685 28.53 193.592 28.5302 29.9223 -116.134 193.592 -116.133 -95.6352 GPRESSURE: 1252600 -380.944 -5.72687 158.558 30.3854 35.2576 -168.223 193.972 -131.572 -88.9706 PRESSAVG: 1252600 -64.2392 42.462 -5.10282 42.4621 47.009 17.0078 -5.10285 17.0078 3.00154 GPRESSAVG: 1252600 -63.598 43.1402 -4.68729 42.425 46.8627 15.8838 -5.50007 19.8041 2.95455 TIMING: 1252600 CPU: 4027.87, 0.0031465/step Wall: 4027.87, 0.0031465/step, 3.27533 hours remaining, 231.796875 MB of memory in use. ENERGY: 1252600 3834.2974 20531.0035 14495.6514 256.9005 -203402.3318 2427.1606 0.0000 0.0000 52054.2520 -109803.0663 299.1565 -161857.3183 -109442.1653 298.8642 -172.7993 -144.8857 761246.1549 -4.7429 -4.5936 PRESSURE: 1252800 -267.515 152.016 -0.712749 152.015 31.8659 -154.365 -0.713358 -154.364 94.3811 GPRESSURE: 1252800 -216.205 7.70437 -38.0403 145.791 28.3408 -149.511 97.289 -126.113 109.702 PRESSAVG: 1252800 -18.1866 -66.875 47.4289 -66.875 53.3771 22.1275 47.4288 22.1275 7.71356 GPRESSAVG: 1252800 -18.2472 -68.1196 46.2633 -66.6562 53.3173 24.5485 48.1578 19.2423 8.52839 TIMING: 1252800 CPU: 4028.51, 0.00316458/step Wall: 4028.51, 0.00316458/step, 3.29398 hours remaining, 231.796875 MB of memory in use. ENERGY: 1252800 4006.5871 20464.7725 14477.1087 249.0151 -203544.7830 2559.6531 0.0000 0.0000 52113.1384 -109674.5081 299.4949 -161787.6465 -109312.8551 298.9901 -47.0893 -26.0542 760295.2710 14.3014 14.5328 PRESSURE: 1253000 526.642 30.6274 219.02 30.6281 598.547 221.434 219.021 221.434 322.556 GPRESSURE: 1253000 545.711 121.545 207.569 -48.5596 576.516 271.718 100.649 183.785 400.652 PRESSAVG: 1253000 0.0211364 -19.3565 -9.31773 -19.3565 -39.2679 54.7105 -9.31774 54.7105 -20.0289 GPRESSAVG: 1253000 -0.322391 -18.5468 -8.34754 -18.8164 -38.3708 55.157 -10.948 54.0715 -20.7558 TIMING: 1253000 CPU: 4029.14, 0.0031519/step Wall: 4029.14, 0.0031519/step, 3.28061 hours remaining, 231.796875 MB of memory in use. ENERGY: 1253000 3926.1012 20465.2271 14425.2440 226.9379 -203500.2058 2478.4575 0.0000 0.0000 52137.4095 -109840.8285 299.6344 -161978.2381 -109480.8188 298.8494 482.5817 507.6263 759868.8962 -19.7586 -19.8163 PRESSURE: 1253200 176.929 -264.382 -40.9679 -264.381 122.534 -15.5076 -40.968 -15.5075 143.361 GPRESSURE: 1253200 140.496 -187.799 -63.5606 -260.852 180.314 -8.79398 -42.4788 -149.563 191.057 PRESSAVG: 1253200 -19.4961 -15.0748 8.54403 -15.0748 -11.8601 57.7138 8.54398 57.7138 5.02394 GPRESSAVG: 1253200 -20.1066 -13.1614 8.11549 -16.124 -11.8186 55.9318 9.87245 59.1432 5.52068 TIMING: 1253200 CPU: 4029.76, 0.00313679/step Wall: 4029.76, 0.00313679/step, 3.2647 hours remaining, 231.796875 MB of memory in use. ENERGY: 1253200 3944.3312 20507.4996 14388.7828 244.8691 -203921.8224 2963.2035 0.0000 0.0000 52098.6965 -109774.4397 299.4119 -161873.1362 -109415.9735 299.5712 147.6079 170.6222 761260.3605 -8.7774 -8.8015 PRESSURE: 1253400 -208.196 -5.27848 -13.401 -5.27965 -149.193 235.116 -13.401 235.117 -314.409 GPRESSURE: 1253400 -86.9009 -22.4933 107.603 -42.034 -142.11 185.329 -133.11 385.115 -352.443 PRESSAVG: 1253400 15.4115 -86.1449 8.94047 -86.1449 10.5857 58.1633 8.94046 58.1632 21.7319 GPRESSAVG: 1253400 16.9688 -88.4575 8.25844 -85.7318 10.4746 60.2255 8.73032 56.2563 21.207 TIMING: 1253400 CPU: 4030.39, 0.00313399/step Wall: 4030.39, 0.00313399/step, 3.26161 hours remaining, 231.796875 MB of memory in use. ENERGY: 1253400 3980.4331 20530.6615 14556.7844 256.7323 -203536.6873 2309.2540 0.0000 0.0000 52293.6501 -109609.1719 300.5323 -161902.8220 -109246.1015 299.6652 -223.9327 -193.8179 760048.7060 15.9097 16.2168 PRESSURE: 1253600 583.859 95.7316 157.73 95.7314 82.0869 -160.134 157.73 -160.134 -327.203 GPRESSURE: 1253600 548.371 47.3619 81.8287 148.499 158.315 -248.281 209.298 -219.272 -287.897 PRESSAVG: 1253600 -50.9549 -23.2378 12.5335 -23.2377 42.7455 -23.6057 12.5335 -23.6057 -7.61101 GPRESSAVG: 1253600 -52.1768 -21.5918 13.3536 -24.9121 43.5314 -25.0763 13.052 -23.3236 -7.19639 TIMING: 1253600 CPU: 4031.02, 0.00314064/step Wall: 4031.02, 0.00314064/step, 3.26836 hours remaining, 231.796875 MB of memory in use. ENERGY: 1253600 3969.6790 20348.8938 14513.2743 238.7223 -203387.9803 2519.9883 0.0000 0.0000 51964.3622 -109833.0604 298.6399 -161797.4226 -109487.4407 299.1481 112.9142 139.5962 759379.5043 -5.2734 -5.2806 PRESSURE: 1253800 -72.0389 -170.055 -56.3783 -170.056 130.925 -55.5595 -56.3786 -55.5606 -211.062 GPRESSURE: 1253800 53.7846 -105.225 -10.4517 -283.129 77.0747 -67.3474 -126.087 11.0905 -213.997 PRESSAVG: 1253800 25.0833 -72.0655 3.6487 -72.0655 -11.8293 -70.4183 3.64869 -70.4183 9.87781 GPRESSAVG: 1253800 26.1912 -73.1505 4.43934 -70.6584 -13.547 -70.7791 3.3676 -68.5932 10.101 TIMING: 1253800 CPU: 4031.65, 0.00315631/step Wall: 4031.65, 0.00315631/step, 3.28449 hours remaining, 231.796875 MB of memory in use. ENERGY: 1253800 3985.0326 20303.8655 14533.4815 258.6895 -203337.3091 2455.1660 0.0000 0.0000 52103.5383 -109697.5357 299.4398 -161801.0740 -109323.3072 298.8687 -50.7252 -27.7125 760898.9334 7.7106 7.5818 PRESSURE: 1254000 130.907 24.233 67.7144 24.234 -219.866 31.4767 67.7139 31.4763 -53.5721 GPRESSURE: 1254000 126.172 -34.3897 -38.3948 1.09333 -160.295 39.4272 12.1804 -142.463 -23.9242 PRESSAVG: 1254000 -2.97908 -40.164 25.7109 -40.164 40.594 17.9016 25.7109 17.9016 -1.64355 GPRESSAVG: 1254000 -4.4491 -39.9709 24.7741 -39.7593 41.3077 17.8598 27.3673 13.6517 -1.21292 TIMING: 1254000 CPU: 4032.28, 0.00315061/step Wall: 4032.28, 0.00315061/step, 3.27838 hours remaining, 231.796875 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: 1254000 3990.2620 20640.6718 14392.4412 246.0819 -203495.9503 2555.1482 0.0000 0.0000 51870.5657 -109800.7796 298.1009 -161671.3452 -109446.3542 299.0222 -47.5104 -19.3491 761490.0448 11.9904 11.8819 PRESSURE: 1254200 -184.885 193.339 37.1785 193.339 -48.0679 -116.973 37.1785 -116.973 337.067 GPRESSURE: 1254200 -200.021 144.922 34.2932 133.485 29.634 -127.218 69.9434 -37.3247 367.327 PRESSAVG: 1254200 -59.2442 -9.05918 24.3201 -9.05914 74.8417 16.3541 24.3201 16.3542 14.8668 GPRESSAVG: 1254200 -59.2398 -7.13353 22.3231 -11.0853 75.1929 14.3912 23.8441 20.8157 14.5518 TIMING: 1254200 CPU: 4032.91, 0.00313362/step Wall: 4032.91, 0.00313362/step, 3.26054 hours remaining, 231.796875 MB of memory in use. ENERGY: 1254200 3955.7958 20442.0151 14449.6967 247.1768 -203484.6790 2450.9556 0.0000 0.0000 52077.7234 -109861.3156 299.2914 -161939.0390 -109498.5165 298.3958 34.7048 65.6468 760407.7894 10.1548 10.1683 PRESSURE: 1254400 -374.795 -102.889 167.488 -102.89 -483.266 160.111 167.488 160.111 -230.329 GPRESSURE: 1254400 -219.419 -151.817 -8.37583 -128.577 -584.054 187.835 100.972 224.562 -193.505 PRESSAVG: 1254400 26.4691 -73.2342 12.4855 -73.2343 -17.8785 101.433 12.4856 101.433 -2.69876 GPRESSAVG: 1254400 27.076 -74.8092 12.5956 -71.0758 -18.6126 102.745 13.4204 100.352 -2.59844 TIMING: 1254400 CPU: 4033.54, 0.00315093/step Wall: 4033.54, 0.00315093/step, 3.27837 hours remaining, 231.796875 MB of memory in use. ENERGY: 1254400 4010.0843 20566.5747 14514.7649 243.3211 -203155.8851 2048.0655 0.0000 0.0000 52115.0925 -109657.9821 299.5062 -161773.0746 -109294.2248 298.8836 -362.7968 -332.3263 762150.4405 1.9640 1.9550 PRESSURE: 1254600 -182.073 -137.678 -169.314 -137.678 14.8445 40.8035 -169.314 40.8033 -112.458 GPRESSURE: 1254600 -132.646 -12.5848 -205.198 -138.059 65.5833 88.5272 -216.992 152.067 -145.332 PRESSAVG: 1254600 45.9912 -28.1618 -7.38314 -28.1619 -66.5471 5.00175 -7.38315 5.00174 -26.7631 GPRESSAVG: 1254600 45.8356 -26.2193 -5.45999 -30.749 -66.7442 5.00488 -10.225 4.96025 -26.8597 TIMING: 1254600 CPU: 4034.17, 0.00317211/step Wall: 4034.17, 0.00317211/step, 3.30023 hours remaining, 231.796875 MB of memory in use. ENERGY: 1254600 4039.8843 20540.2327 14543.7785 237.5284 -203645.3601 2679.7016 0.0000 0.0000 51842.5292 -109761.7054 297.9397 -161604.2346 -109412.8326 298.8911 -93.2288 -70.7982 761985.4438 -15.7730 -15.9228 PRESSURE: 1254800 -79.6051 -70.1669 5.53354 -70.1673 -23.3091 98.7986 5.53317 98.7977 -200.691 GPRESSURE: 1254800 -106.929 -21.0109 62.0594 -75.2788 14.4697 138.328 151.486 89.7624 -99.3786 PRESSAVG: 1254800 12.0947 -28.0566 -6.23803 -28.0566 -17.9554 -41.4256 -6.23807 -41.4257 -1.51237 GPRESSAVG: 1254800 10.7756 -28.999 -6.18981 -27.9612 -16.8114 -40.8394 -4.11664 -42.2621 -1.44212 TIMING: 1254800 CPU: 4034.8, 0.0031385/step Wall: 4034.8, 0.0031385/step, 3.26508 hours remaining, 231.796875 MB of memory in use. ENERGY: 1254800 3949.9851 20503.4351 14510.9040 244.3790 -203798.1969 2852.7774 0.0000 0.0000 52144.9450 -109591.7713 299.6777 -161736.7163 -109220.1506 299.0696 -101.2018 -63.9460 761129.2432 -2.4577 -2.4927 PRESSURE: 1255000 -16.1934 182.398 -326.756 182.399 -133.734 -247.84 -326.756 -247.84 46.493 GPRESSURE: 1255000 -49.9217 56.8479 -352.391 55.822 -0.187201 -263.371 -385.433 -194.519 30.6432 PRESSAVG: 1255000 14.6773 -5.19129 0.892134 -5.19123 -6.57342 -54.3305 0.89209 -54.3304 5.1055 GPRESSAVG: 1255000 14.673 -5.65785 1.35146 -4.73943 -5.9378 -53.0881 0.696103 -56.6496 4.66357 TIMING: 1255000 CPU: 4035.43, 0.00314157/step Wall: 4035.43, 0.00314157/step, 3.26811 hours remaining, 231.796875 MB of memory in use. ENERGY: 1255000 4016.1080 20619.1403 14457.5530 231.4513 -203550.6570 2716.3211 0.0000 0.0000 51977.0171 -109533.0661 298.7126 -161510.0832 -109182.3022 299.3482 -34.4780 -6.4886 763428.1910 4.4031 4.4663 PRESSURE: 1255200 19.7567 179.554 67.2332 179.554 -227.505 -34.2242 67.2334 -34.2256 89.861 GPRESSURE: 1255200 130.723 148.764 60.0503 86.988 -214.995 -83.3011 134.532 -38.5788 51.3656 PRESSAVG: 1255200 -48.6399 16.4437 42.9009 16.4437 19.0253 30.4205 42.9009 30.4205 -14.5838 GPRESSAVG: 1255200 -47.9273 16.306 42.5998 16.4207 17.0277 29.8457 41.2488 31.7891 -13.8949 TIMING: 1255200 CPU: 4036.06, 0.00316097/step Wall: 4036.06, 0.00316097/step, 3.28812 hours remaining, 231.796875 MB of memory in use. ENERGY: 1255200 4000.0253 20637.5254 14419.0333 242.7559 -203172.1675 2246.3846 0.0000 0.0000 51905.1666 -109721.2765 298.2997 -161626.4430 -109363.9068 298.9489 -39.2958 -10.9687 763686.6288 -14.7328 -14.9315 PRESSURE: 1255400 -8.22575 78.4459 134.443 78.4458 -297.297 111.417 134.443 111.418 -104.534 GPRESSURE: 1255400 6.9785 79.4618 200.704 82.2505 -268.095 142.747 25.815 -46.0583 -63.1095 PRESSAVG: 1255400 -32.3098 8.29576 49.5377 8.2958 -32.1888 24.0454 49.5377 24.0454 2.89253 GPRESSAVG: 1255400 -32.6884 7.37341 48.145 11.1201 -30.9715 23.4658 51.3107 23.151 2.413 TIMING: 1255400 CPU: 4036.69, 0.00317459/step Wall: 4036.69, 0.00317459/step, 3.3021 hours remaining, 231.796875 MB of memory in use. ENERGY: 1255400 3981.9738 20491.6653 14498.8109 226.7179 -203623.3151 2758.4911 0.0000 0.0000 51969.9792 -109695.6769 298.6722 -161665.6561 -109336.6183 299.2088 -136.6857 -108.0754 763826.8839 -20.5353 -20.4156 PRESSURE: 1255600 -70.5681 -92.7387 236.979 -92.7384 -140.401 -80.1271 236.979 -80.1283 32.8814 GPRESSURE: 1255600 -76.1674 -102.606 278.218 -88.2598 -35.4774 -81.0198 88.855 39.031 3.26088 PRESSAVG: 1255600 -30.2501 39.4715 52.297 39.4715 8.58203 3.75801 52.297 3.75812 -10.0913 GPRESSAVG: 1255600 -29.8929 40.825 51.9966 35.4808 7.83478 2.21124 51.2468 4.33193 -9.31096 TIMING: 1255600 CPU: 4037.33, 0.0031756/step Wall: 4037.33, 0.0031756/step, 3.30298 hours remaining, 231.796875 MB of memory in use. ENERGY: 1255600 4006.0657 20474.4285 14476.6070 255.5771 -203797.8012 2680.1585 0.0000 0.0000 52196.8359 -109708.1284 299.9759 -161904.9643 -109342.9893 298.9270 -59.3627 -36.1280 761117.1436 -10.5864 -10.4564 PRESSURE: 1255800 -104.078 -75.2616 -152.358 -75.2617 -205.603 166.711 -152.358 166.711 94.8368 GPRESSURE: 1255800 20.4189 -103.484 -55.8067 -90.8616 -205.508 185.615 -212.991 156.956 63.8263 PRESSAVG: 1255800 19.3572 11.3517 16.476 11.3517 -47.262 5.58047 16.476 5.58052 -0.432573 GPRESSAVG: 1255800 19.4101 11.2789 18.6135 13.2938 -46.0678 6.81446 17.4916 7.24627 -1.05234 TIMING: 1255800 CPU: 4037.96, 0.00315878/step Wall: 4037.96, 0.00315878/step, 3.2853 hours remaining, 231.796875 MB of memory in use. ENERGY: 1255800 3939.7887 20434.9832 14491.2369 247.8521 -203131.9764 2051.3606 0.0000 0.0000 52094.1184 -109872.6365 299.3856 -161966.7550 -109503.0740 298.9644 -71.6145 -40.4210 761217.9098 -9.4458 -9.2367 PRESSURE: 1256000 -193.125 -137.709 -59.1169 -137.709 -321.719 119.192 -59.1163 119.191 -294.502 GPRESSURE: 1256000 -143.52 -108.115 -30.3813 -64.0334 -278.779 146.92 -109.774 -154.568 -265.671 PRESSAVG: 1256000 -29.7181 -8.14892 -9.35552 -8.1489 -2.24042 -12.4747 -9.35556 -12.4748 3.69261 GPRESSAVG: 1256000 -28.4558 -6.65621 -10.8806 -9.90205 -3.03179 -13.7243 -10.4319 -15.3728 2.97767 TIMING: 1256000 CPU: 4038.59, 0.00315786/step Wall: 4038.59, 0.00315786/step, 3.28418 hours remaining, 231.796875 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: 1256000 4007.6987 20571.4720 14433.0233 270.8558 -203499.5872 2368.6382 0.0000 0.0000 51998.0729 -109849.8263 298.8336 -161847.8992 -109489.6297 298.7807 -269.7816 -229.3235 761549.3662 -9.4220 -9.5033 PRESSURE: 1256200 -131.607 119.309 71.6821 119.308 99.7138 -174.744 71.6824 -174.744 -79.308 GPRESSURE: 1256200 -30.8796 188.711 115.231 160.685 94.2716 -162.494 110.217 -138.11 -105.001 PRESSAVG: 1256200 -76.2972 -3.72445 17.5071 -3.72444 65.1248 16.3805 17.5071 16.3804 -3.67269 GPRESSAVG: 1256200 -76.8363 -6.12418 17.6238 -2.04168 65.3044 17.4546 19.1871 18.8417 -3.17088 TIMING: 1256200 CPU: 4039.22, 0.00311616/step Wall: 4039.22, 0.00311616/step, 3.24064 hours remaining, 231.796875 MB of memory in use. ENERGY: 1256200 3938.2901 20606.0310 14485.3898 235.9283 -203520.0441 2511.7024 0.0000 0.0000 51673.5887 -110069.1138 296.9688 -161742.7025 -109708.6525 298.4668 -37.0671 -13.8697 762702.5584 -4.9484 -4.9010 LDB: ============= START OF LOAD BALANCING ============== 4051.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4051.64 LDB: =============== DONE WITH MIGRATION ================ 4051.64 LDB: ============= START OF LOAD BALANCING ============== 4051.95 LDB: Largest compute 7078 load 0.036158 is 18.5% of average load 0.195179 LDB: Average compute 0.004424 is 2.3% of average load 0.195179 LDB: TIME 4051.96 LOAD: AVG 0.195179 MAX 0.212917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.949 MB LDB: TIME 4051.96 LOAD: AVG 0.195179 MAX 0.212917 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.148 MB LDB: TIME 4051.96 LOAD: AVG 0.195179 MAX 0.212917 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.148 MB LDB: ============== END OF LOAD BALANCING =============== 4051.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4051.96 PRESSURE: 1256400 -338.37 -18.8625 -84.3553 -18.8616 -190.892 253.142 -84.3557 253.141 191.217 GPRESSURE: 1256400 -160.203 -36.8477 -108.744 -95.1162 -237.964 197.496 -49.5986 272.718 160.178 PRESSAVG: 1256400 -71.2483 -2.42742 21.0466 -2.42742 46.0743 -22.52 21.0466 -22.52 -4.91021 GPRESSAVG: 1256400 -70.7279 -3.99342 22.5958 -2.47952 45.4491 -23.9824 19.5229 -23.807 -4.7008 TIMING: 1256400 CPU: 4039.86, 0.00321002/step Wall: 4039.86, 0.00321002/step, 3.33807 hours remaining, 230.886719 MB of memory in use. ENERGY: 1256400 3967.7990 20377.5978 14468.1001 252.7333 -203717.3460 2489.0854 0.0000 0.0000 52122.9540 -110039.0763 299.5513 -162162.0303 -109677.6981 298.5776 -112.6816 -79.3296 761094.5339 -10.0281 -9.9932 PRESSURE: 1256600 -213.36 -16.637 152.043 -16.6367 -266.851 -124.077 152.042 -124.077 160.446 GPRESSURE: 1256600 -119.115 -115.434 126.928 -37.4321 -218.283 -148.981 98.7863 -56.0045 108.911 PRESSAVG: 1256600 -18.5688 -57.0602 -21.5135 -57.0602 21.6745 -11.8063 -21.5135 -11.8063 3.31019 GPRESSAVG: 1256600 -18.2639 -54.7501 -23.5231 -58.9787 22.1458 -11.07 -20.7627 -11.1942 2.23808 TIMING: 1256600 CPU: 4040.49, 0.00314858/step Wall: 4040.49, 0.00314858/step, 3.274 hours remaining, 231.027344 MB of memory in use. ENERGY: 1256600 3978.7992 20574.7849 14440.0483 252.4477 -203847.4374 2481.5058 0.0000 0.0000 52130.0009 -109989.8506 299.5918 -162119.8515 -109632.4871 298.9330 -106.5884 -76.1625 759989.9917 2.1386 2.0400 PRESSURE: 1256800 68.5944 -14.1823 -116.634 -14.1825 470.715 -89.9927 -116.634 -89.9907 266.196 GPRESSURE: 1256800 89.8276 -134.567 -132.037 64.5091 555.217 -111.903 -146.756 -135.761 263.106 PRESSAVG: 1256800 -8.63497 -39.6303 -37.4954 -39.6302 46.2457 -34.343 -37.4953 -34.343 8.1307 GPRESSAVG: 1256800 -10.2745 -40.3794 -36.2381 -38.1787 47.1624 -33.4094 -40.0789 -35.1683 8.41907 TIMING: 1256800 CPU: 4041.12, 0.00313823/step Wall: 4041.12, 0.00313823/step, 3.26306 hours remaining, 231.027344 MB of memory in use. ENERGY: 1256800 4019.8049 20540.4228 14505.3744 246.1098 -204300.7857 2993.6851 0.0000 0.0000 52251.6523 -109743.7365 300.2910 -161995.3888 -109384.9450 299.0759 268.5016 302.7167 758357.3832 15.2472 15.1023 PRESSURE: 1257000 283.753 -377.355 -109.136 -377.354 75.523 -254.313 -109.135 -254.313 276.59 GPRESSURE: 1257000 272.452 -329.947 -112.276 -333.53 183.996 -244.504 -126.757 -143.804 263.014 PRESSAVG: 1257000 -36.2399 -62.8592 19.7805 -62.8593 11.0797 6.52247 19.7805 6.5225 0.541174 GPRESSAVG: 1257000 -35.2837 -63.7592 19.0378 -64.0481 10.0493 4.71683 19.6951 8.05837 0.973165 TIMING: 1257000 CPU: 4041.75, 0.00315359/step Wall: 4041.75, 0.00315359/step, 3.27886 hours remaining, 231.027344 MB of memory in use. ENERGY: 1257000 4102.8046 20558.9918 14440.3926 264.9328 -203594.0342 2631.2443 0.0000 0.0000 52114.7414 -109480.9267 299.5041 -161595.6681 -109124.0306 299.5107 211.9552 239.8207 760240.8508 -8.2063 -8.0871 PRESSURE: 1257200 -54.0914 111.971 -5.27109 111.97 -178.786 -371.619 -5.2709 -371.619 -102.429 GPRESSURE: 1257200 13.5015 41.3323 -84.0303 28.1274 -134.125 -310.75 -62.8896 -313.165 -142.003 PRESSAVG: 1257200 -20.4766 -44.2481 3.045 -44.2481 39.3968 -77.5548 3.04507 -77.5549 1.85756 GPRESSAVG: 1257200 -20.391 -44.8254 3.25453 -42.408 39.5004 -75.4474 3.81973 -79.6816 1.3925 TIMING: 1257200 CPU: 4042.38, 0.00316086/step Wall: 4042.38, 0.00316086/step, 3.28624 hours remaining, 231.027344 MB of memory in use. ENERGY: 1257200 3982.1741 20721.4204 14513.5797 247.0864 -203621.1319 2654.1050 0.0000 0.0000 52131.4159 -109371.3502 299.6000 -161502.7662 -109004.5978 300.2079 -111.7687 -87.5423 760783.2362 6.9259 6.8339 PRESSURE: 1257400 -301.677 -217.347 -193.067 -217.346 -156.43 -3.54246 -193.068 -3.54387 413.255 GPRESSURE: 1257400 -290.776 -210.721 -207.2 -179.301 -94.8734 5.01531 -65.6884 12.6987 421.874 PRESSAVG: 1257400 -11.4179 -104.3 -51.4077 -104.3 6.65301 3.99833 -51.4077 3.9983 -34.5733 GPRESSAVG: 1257400 -12.2326 -103.342 -51.1025 -105.496 7.48172 3.16336 -50.2081 4.08819 -34.2475 TIMING: 1257400 CPU: 4043.01, 0.00314694/step Wall: 4043.01, 0.00314694/step, 3.27159 hours remaining, 231.027344 MB of memory in use. ENERGY: 1257400 3968.2945 20776.5321 14456.5536 246.2708 -203668.4576 2655.3106 0.0000 0.0000 52104.1439 -109461.3522 299.4432 -161565.4961 -109100.7055 300.1441 -14.9504 12.0747 761672.3491 -13.1127 -12.9994 PRESSURE: 1257600 334.761 125.417 -170.658 125.417 -280.991 -60.2068 -170.658 -60.2075 90.7016 GPRESSURE: 1257600 287.096 164.937 -175.806 145.491 -114.387 -138.603 -87.0088 32.6291 57.1385 PRESSAVG: 1257600 0.393843 -33.0817 -23.5751 -33.0817 -18.843 22.6458 -23.5751 22.6457 5.39615 GPRESSAVG: 1257600 0.574246 -35.0201 -22.9459 -32.6156 -18.4235 21.8784 -24.4997 23.5394 5.04022 TIMING: 1257600 CPU: 4043.64, 0.00314645/step Wall: 4043.64, 0.00314645/step, 3.27091 hours remaining, 231.027344 MB of memory in use. ENERGY: 1257600 3952.1588 20670.3748 14519.6791 254.1697 -203762.7142 2586.4395 0.0000 0.0000 52313.2525 -109466.6398 300.6450 -161779.8923 -109109.8619 300.4779 48.1574 76.6159 759030.8935 -4.3510 -4.2697 PRESSURE: 1257800 -49.2681 -18.8695 -102.753 -18.8689 243.395 -83.2456 -102.753 -83.2447 469.812 GPRESSURE: 1257800 6.37651 34.7109 -129.839 14.9965 285.575 -85.5399 -28.6112 -132.578 462.914 PRESSAVG: 1257800 -20.2235 -18.9427 -53.9172 -18.9426 13.5158 1.89721 -53.9172 1.89725 -7.57718 GPRESSAVG: 1257800 -19.812 -15.9475 -56.4743 -20.714 12.4276 2.33916 -53.0036 2.70889 -7.40341 TIMING: 1257800 CPU: 4044.27, 0.00315125/step Wall: 4044.27, 0.00315125/step, 3.27573 hours remaining, 231.027344 MB of memory in use. ENERGY: 1257800 4035.1671 20432.3567 14491.1429 231.4006 -203761.5232 2582.1732 0.0000 0.0000 52394.4642 -109594.8183 301.1117 -161989.2825 -109222.7328 300.6362 221.3131 251.6220 758582.8076 -4.7616 -4.9293 PRESSURE: 1258000 51.7897 23.1618 26.5017 23.1612 -67.5284 135.304 26.5021 135.304 -328.691 GPRESSURE: 1258000 -1.81759 -4.49833 -4.87024 47.5613 -25.0392 107.68 -16.5121 136.526 -231.211 PRESSAVG: 1258000 -23.4007 -60.8083 39.3727 -60.8083 91.0727 -27.1914 39.3726 -27.1914 -4.86873 GPRESSAVG: 1258000 -22.7522 -62.4736 40.9586 -60.0969 89.6355 -26.055 39.0104 -28.947 -4.09359 TIMING: 1258000 CPU: 4044.9, 0.00314438/step Wall: 4044.9, 0.00314438/step, 3.2684 hours remaining, 231.027344 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: 1258000 4057.4116 20571.7025 14508.2346 242.4673 -203482.4666 2371.7587 0.0000 0.0000 52081.5512 -109649.3407 299.3134 -161730.8919 -109285.4989 299.8744 -114.8097 -86.0227 759522.4817 20.9344 20.9299 PRESSURE: 1258200 -98.1112 96.6932 147.5 96.6931 36.2136 -181.121 147.501 -181.121 167.868 GPRESSURE: 1258200 -130.694 201.817 164.66 107.427 109.552 -183.861 293.868 -246.868 204.159 PRESSAVG: 1258200 -3.48996 -8.4539 33.3244 -8.45396 -16.5518 19.2864 33.3243 19.2864 4.97794 GPRESSAVG: 1258200 -4.36058 -6.91799 33.4019 -9.52665 -14.024 18.0953 34.2321 20.3284 2.65296 TIMING: 1258200 CPU: 4045.53, 0.00314485/step Wall: 4045.53, 0.00314485/step, 3.26872 hours remaining, 231.027344 MB of memory in use. ENERGY: 1258200 3997.8094 20738.1573 14493.2944 231.0449 -203585.1669 2381.2417 0.0000 0.0000 52127.9993 -109615.6200 299.5803 -161743.6193 -109246.5307 300.1631 35.3234 61.0058 759746.1429 -5.0213 -5.2439 PRESSURE: 1258400 -96.9052 -17.314 177.298 -17.3122 40.0978 90.9687 177.297 90.9682 11.1937 GPRESSURE: 1258400 0.726984 30.9307 158.303 -20.2591 58.3456 -48.686 183.373 130.569 -21.174 PRESSAVG: 1258400 11.7695 -36.6586 60.4697 -36.6585 30.7724 -57.859 60.4698 -57.8591 8.37862 GPRESSAVG: 1258400 11.0134 -37.329 59.6671 -34.8888 30.8014 -58.813 60.1774 -57.6936 8.77118 TIMING: 1258400 CPU: 4046.15, 0.00314578/step Wall: 4046.15, 0.00314578/step, 3.26951 hours remaining, 231.027344 MB of memory in use. ENERGY: 1258400 4041.9912 20744.8676 14544.5913 256.3295 -203834.5305 2470.0088 0.0000 0.0000 52325.7637 -109450.9783 300.7169 -161776.7420 -109088.2167 300.2666 -15.2046 12.6329 760069.5176 16.9735 16.8620 PRESSURE: 1258600 13.1689 171.095 21.0181 171.096 1.23854 12.696 21.0174 12.6949 -326.294 GPRESSURE: 1258600 -32.8223 83.1324 6.65167 224.249 149.106 64.0779 46.6239 -46.0452 -327.441 PRESSAVG: 1258600 -28.9123 28.59 -35.3549 28.59 68.6309 -32.3626 -35.355 -32.3625 22.8861 GPRESSAVG: 1258600 -28.7929 28.1303 -35.4497 29.2192 66.544 -31.9648 -36.1827 -31.4825 24.4928 TIMING: 1258600 CPU: 4046.78, 0.00313164/step Wall: 4046.78, 0.00313164/step, 3.25464 hours remaining, 231.027344 MB of memory in use. ENERGY: 1258600 3963.6889 20596.3171 14524.0441 239.5000 -203357.8990 2263.2420 0.0000 0.0000 52387.7508 -109383.3561 301.0731 -161771.1069 -109012.7114 300.1031 -103.9623 -70.3855 760910.7374 20.8682 20.7480 PRESSURE: 1258800 -600.287 -40.9259 -73.751 -40.9262 -439.384 118.481 -73.7516 118.48 -584.523 GPRESSURE: 1258800 -515.446 -40.3041 -98.4875 58.8919 -426.269 1.06663 -38.4571 92.5576 -596.823 PRESSAVG: 1258800 -63.7333 40.266 -2.02655 40.2659 23.7462 11.8851 -2.02655 11.8851 -9.56861 GPRESSAVG: 1258800 -64.6406 39.9938 -1.77163 39.8331 24.6765 11.5956 0.138928 11.9012 -9.12667 TIMING: 1258800 CPU: 4047.41, 0.00314926/step Wall: 4047.41, 0.00314926/step, 3.27279 hours remaining, 231.027344 MB of memory in use. ENERGY: 1258800 4106.2272 20720.8780 14445.6181 233.8270 -203467.6371 2324.6089 0.0000 0.0000 52195.9398 -109440.5381 299.9708 -161636.4779 -109079.6615 300.5991 -541.3979 -512.8459 761786.7125 -16.5186 -16.3636 PRESSURE: 1259000 -35.8606 -126.623 -82.3965 -126.624 67.2875 0.0258397 -82.3961 0.0252726 -88.5522 GPRESSURE: 1259000 -11.8784 -130.529 -92.2901 -48.0745 131.319 -66.9004 -103.894 69.1648 -78.8715 PRESSAVG: 1259000 -21.6576 -15.687 31.9231 -15.687 13.6585 8.86057 31.9231 8.8606 -1.32038 GPRESSAVG: 1259000 -20.4364 -16.7835 31.4835 -15.395 14.1408 9.42169 30.5191 9.90087 -2.51763 TIMING: 1259000 CPU: 4048.04, 0.0031454/step Wall: 4048.04, 0.0031454/step, 3.26859 hours remaining, 231.027344 MB of memory in use. ENERGY: 1259000 3963.2328 20720.9220 14532.7993 263.3439 -203760.6616 2545.3779 0.0000 0.0000 52521.7972 -109213.1885 301.8435 -161734.9857 -108854.1419 300.4755 -19.0418 13.5229 760115.3717 -3.1065 -2.9378 PRESSURE: 1259200 -119.89 -61.4982 -1.73229 -61.4977 268.349 117.853 -1.73188 117.853 -33.2542 GPRESSURE: 1259200 -39.6286 39.3267 -87.9796 -89.0427 207.161 87.7575 -133.925 146.924 13.6902 PRESSAVG: 1259200 -35.5732 -14.8473 -13.1241 -14.8473 31.5994 -8.40651 -13.1242 -8.40653 -12.4015 GPRESSAVG: 1259200 -34.7782 -13.7587 -12.8674 -15.0451 31.3931 -8.12707 -13.0659 -10.4019 -12.3691 TIMING: 1259200 CPU: 4048.67, 0.00314399/step Wall: 4048.67, 0.00314399/step, 3.26695 hours remaining, 231.027344 MB of memory in use. ENERGY: 1259200 4007.5892 20666.5395 14521.3506 270.1815 -203751.9192 2472.3465 0.0000 0.0000 52405.8339 -109408.0778 301.1770 -161813.9117 -109043.0805 300.4995 38.4015 60.4076 760210.5460 -5.4584 -5.2514 PRESSURE: 1259400 -142.53 14.103 137.517 14.1035 -34.4574 -20.3841 137.517 -20.3846 -38.1733 GPRESSURE: 1259400 -177.552 14.2156 165.325 24.4148 14.4901 -54.0286 95.4764 34.0065 21.781 PRESSAVG: 1259400 -17.4708 -5.53862 0.101488 -5.5386 -2.07226 62.6102 0.101431 62.6102 -10.126 GPRESSAVG: 1259400 -19.0975 -6.93238 -0.196489 -3.2198 -1.00258 61.8556 -0.427496 63.4212 -10.0533 TIMING: 1259400 CPU: 4049.3, 0.00315107/step Wall: 4049.3, 0.00315107/step, 3.27414 hours remaining, 231.027344 MB of memory in use. ENERGY: 1259400 4006.7646 20649.9503 14549.7450 243.5291 -203490.5546 2322.5120 0.0000 0.0000 52294.2177 -109423.8359 300.5356 -161718.0536 -109065.5506 300.2765 -71.7203 -47.0936 760351.0039 -9.8897 -10.0511 PRESSURE: 1259600 69.9099 89.6905 -337.995 89.6911 -42.7644 73.5531 -337.995 73.5534 -241.946 GPRESSURE: 1259600 93.4178 57.2599 -263.182 47.3319 -43.7973 44.6846 -234.718 20.4492 -192.976 PRESSAVG: 1259600 15.5279 0.533758 22.7916 0.533801 -15.2861 28.5756 22.7915 28.5756 9.90864 GPRESSAVG: 1259600 16.4464 -0.296709 24.9935 -2.14046 -16.8871 29.1941 23.5519 26.97 10.2042 TIMING: 1259600 CPU: 4049.93, 0.00314554/step Wall: 4049.93, 0.00314554/step, 3.26821 hours remaining, 231.027344 MB of memory in use. ENERGY: 1259600 3997.0435 20737.0879 14437.0685 269.7888 -203523.7195 2481.9487 0.0000 0.0000 52115.0061 -109485.7761 299.5057 -161600.7822 -109130.8764 300.2379 -71.6001 -47.7852 759953.4102 3.3835 3.2545 PRESSURE: 1259800 44.9049 51.0509 -146.824 51.0504 184.587 109.314 -146.823 109.313 2.21501 GPRESSURE: 1259800 95.8483 73.638 -176.926 81.5272 142.742 193.896 -182.847 90.3809 57.0634 PRESSAVG: 1259800 -33.6837 -10.3054 -0.525847 -10.3054 -5.31232 -26.2177 -0.525805 -26.2177 -8.28358 GPRESSAVG: 1259800 -34.6544 -10.9905 -1.67757 -9.13203 -4.87023 -25.0916 -1.41919 -25.5144 -7.83872 TIMING: 1259800 CPU: 4050.56, 0.00314698/step Wall: 4050.56, 0.00314698/step, 3.26954 hours remaining, 231.027344 MB of memory in use. ENERGY: 1259800 4012.4048 20701.6272 14555.4807 254.6917 -203388.5555 2355.6243 0.0000 0.0000 51883.4115 -109625.3153 298.1747 -161508.7268 -109260.9380 299.8216 77.2356 98.5511 760801.5041 -15.7599 -15.7878 PRESSURE: 1260000 -471.481 27.2363 57.0286 27.2367 -318.84 -80.1534 57.0296 -80.1537 -147.016 GPRESSURE: 1260000 -465.586 -46.5642 -6.5732 -35.0369 -271.135 -26.7618 162.751 -169.449 -102.092 PRESSAVG: 1260000 -39.8076 -42.4448 -40.7239 -42.4448 -16.1692 -20.9675 -40.7239 -20.9674 -12.7091 GPRESSAVG: 1260000 -38.7506 -41.8216 -39.4385 -42.2653 -14.7767 -21.9097 -41.0584 -20.2482 -15.153 TIMING: 1260000 CPU: 4051.19, 0.00314909/step Wall: 4051.19, 0.00314909/step, 3.27156 hours remaining, 231.027344 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: 1260000 4047.0221 20709.7145 14439.0549 248.1313 -203170.3871 2015.1630 0.0000 0.0000 52004.9238 -109706.3775 298.8730 -161711.3013 -109342.3680 300.1765 -312.4455 -279.6043 760637.1474 -22.8953 -22.8934 PRESSURE: 1260200 357.476 -191.193 -102.909 -191.194 -255.42 -55.6253 -102.909 -55.6254 136.057 GPRESSURE: 1260200 298.815 -144.553 -60.1672 -234.692 -137.084 -4.28188 -153.975 -38.242 128.909 PRESSAVG: 1260200 22.5737 -2.58443 10.7987 -2.58441 29.8054 1.37339 10.7987 1.37339 16.6083 GPRESSAVG: 1260200 21.5726 -0.94401 10.0014 -3.05822 29.0349 0.99695 12.3811 1.78408 18.0176 TIMING: 1260200 CPU: 4051.82, 0.00316061/step Wall: 4051.82, 0.00316061/step, 3.28334 hours remaining, 231.027344 MB of memory in use. ENERGY: 1260200 3946.2281 20527.2440 14521.4615 239.6531 -203644.3429 2595.2707 0.0000 0.0000 52226.6961 -109587.7893 300.1475 -161814.4854 -109214.1729 299.3739 79.3710 96.8801 759508.0590 22.9958 22.8750 LDB: ============= START OF LOAD BALANCING ============== 4064.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4064.24 LDB: =============== DONE WITH MIGRATION ================ 4064.24 LDB: ============= START OF LOAD BALANCING ============== 4064.56 LDB: Largest compute 7068 load 0.037089 is 19.0% of average load 0.195196 LDB: Average compute 0.004416 is 2.3% of average load 0.195196 LDB: TIME 4064.57 LOAD: AVG 0.195196 MAX 0.212427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.523 MB LDB: TIME 4064.57 LOAD: AVG 0.195196 MAX 0.212427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.73 MB LDB: TIME 4064.57 LOAD: AVG 0.195196 MAX 0.212427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.73 MB LDB: ============== END OF LOAD BALANCING =============== 4064.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4064.57 PRESSURE: 1260400 -24.5181 -39.88 -8.11121 -39.8802 155.947 -8.98347 -8.11036 -8.98366 299.357 GPRESSURE: 1260400 31.345 103.996 19.2674 10.9347 200.455 36.1307 53.7935 107.389 273.579 PRESSAVG: 1260400 -100.618 -26.4223 -10.2678 -26.4222 55.1564 23.3198 -10.2678 23.3198 -1.8132 GPRESSAVG: 1260400 -99.9315 -25.7206 -10.5453 -26.1714 54.3934 23.0672 -13.1155 22.9712 -1.07487 TIMING: 1260400 CPU: 4052.47, 0.00324061/step Wall: 4052.47, 0.00324061/step, 3.36628 hours remaining, 233.136719 MB of memory in use. ENERGY: 1260400 3945.0064 20610.5755 14441.6199 243.8231 -203039.1861 2298.6591 0.0000 0.0000 51927.7951 -109571.7069 298.4298 -161499.5021 -109208.4962 299.4018 143.5952 168.4597 760302.4596 -15.7584 -15.5376 PRESSURE: 1260600 -146.997 -190.873 -17.7416 -190.875 25.9157 -7.07129 -17.7418 -7.07083 -123.349 GPRESSURE: 1260600 -22.4754 -136.716 -127.365 -39.0266 0.0240284 -99.4 -13.0135 97.4653 -147.66 PRESSAVG: 1260600 -2.13448 -64.6109 -35.5225 -64.6109 23.2135 10.3426 -35.5224 10.3426 14.8329 GPRESSAVG: 1260600 -1.84089 -66.4814 -34.9262 -63.4401 23.6474 10.7476 -34.0919 10.9642 14.3721 TIMING: 1260600 CPU: 4053.1, 0.00316628/step Wall: 4053.1, 0.00316628/step, 3.28888 hours remaining, 233.339844 MB of memory in use. ENERGY: 1260600 4091.6342 20695.0815 14505.3010 238.1313 -203463.3374 2243.9197 0.0000 0.0000 51996.4352 -109692.8344 298.8242 -161689.2696 -109335.6710 299.5213 -81.4769 -56.7040 759315.3141 11.9706 12.0595 PRESSURE: 1260800 48.375 -141.156 -278.56 -141.157 -220.118 -91.0787 -278.56 -91.0794 384.939 GPRESSURE: 1260800 87.5583 -122.927 -166.131 -33.4089 -133.939 -89.0257 -338.465 -123.186 348.997 PRESSAVG: 1260800 -45.3614 -28.6464 -7.55845 -28.6463 36.8688 -49.3458 -7.55844 -49.3459 -7.65275 GPRESSAVG: 1260800 -44.0619 -28.3105 -7.80699 -27.6809 35.6146 -48.8367 -6.50879 -50.9454 -7.67083 TIMING: 1260800 CPU: 4053.73, 0.00317066/step Wall: 4053.73, 0.00317066/step, 3.29326 hours remaining, 233.339844 MB of memory in use. ENERGY: 1260800 3986.7964 20713.3669 14509.6845 247.3325 -203397.7012 2326.9419 0.0000 0.0000 51826.1769 -109787.4020 297.8458 -161613.5789 -109433.4328 299.5463 71.0655 100.8723 759739.8897 -5.3818 -5.3727 PRESSURE: 1261000 98.8281 16.203 68.7454 16.2025 -167.38 342.678 68.7445 342.679 42.5603 GPRESSURE: 1261000 94.4678 -6.67212 2.41889 -51.3406 -69.7554 391.322 72.4815 273.664 31.6659 PRESSAVG: 1261000 -18.6376 -48.4148 -68.6299 -48.4148 41.4549 15.7709 -68.6299 15.7709 6.55744 GPRESSAVG: 1261000 -20.2908 -48.8912 -68.807 -49.293 42.7686 14.7878 -69.5327 16.5505 6.59863 TIMING: 1261000 CPU: 4054.37, 0.00315872/step Wall: 4054.37, 0.00315872/step, 3.28068 hours remaining, 233.339844 MB of memory in use. ENERGY: 1261000 4008.5960 20421.6123 14560.8632 241.5728 -203565.2741 2497.0616 0.0000 0.0000 51906.6024 -109928.9659 298.3080 -161835.5683 -109564.8299 298.8527 -8.6640 18.7928 759781.1633 9.7916 9.6922 PRESSURE: 1261200 491.549 -164.114 -140.249 -164.114 261.667 -25.4627 -140.25 -25.4627 311.866 GPRESSURE: 1261200 536.501 -197.56 -166.339 -116.353 355.938 -46.1341 -112.073 191.21 271.229 PRESSAVG: 1261200 32.4789 -84.6609 -33.7951 -84.6609 -2.55202 -47.4037 -33.7952 -47.4037 -6.95258 GPRESSAVG: 1261200 31.511 -84.141 -34.6351 -82.8584 -2.55282 -46.8566 -32.9101 -48.0347 -6.21113 TIMING: 1261200 CPU: 4055, 0.00314827/step Wall: 4055, 0.00314827/step, 3.26965 hours remaining, 233.339844 MB of memory in use. ENERGY: 1261200 3990.6012 20441.8551 14552.8430 250.1111 -204119.0347 2827.3074 0.0000 0.0000 52218.9293 -109837.3877 300.1029 -162056.3169 -109471.8778 299.2984 355.0274 387.8894 755758.4196 7.6581 7.5823 PRESSURE: 1261400 285.789 65.8545 -67.1223 65.8543 66.0456 -144.675 -67.1221 -144.674 331.721 GPRESSURE: 1261400 340.727 108.556 -104.481 -43.6321 164.999 -187.193 -83.5096 -139.306 266.486 PRESSAVG: 1261400 24.0286 -65.2383 -56.1017 -65.2384 -37.3485 -22.5084 -56.1018 -22.5083 18.2619 GPRESSAVG: 1261400 25.4974 -64.664 -55.9364 -67.9417 -38.9518 -23.4351 -58.5402 -23.1952 18.2892 TIMING: 1261400 CPU: 4055.63, 0.00316967/step Wall: 4055.63, 0.00316967/step, 3.2917 hours remaining, 233.339844 MB of memory in use. ENERGY: 1261400 4014.0650 20375.9786 14457.6968 240.8839 -203229.4389 2426.2787 0.0000 0.0000 51801.2140 -109913.3219 297.7023 -161714.5360 -109555.0196 298.5647 227.8518 257.4039 758643.5040 1.6473 1.6116 PRESSURE: 1261600 -162.096 -103.722 48.8518 -103.723 300.161 154.04 48.8528 154.041 -182.292 GPRESSURE: 1261600 -42.4101 -50.6254 5.11109 34.566 293.796 160.33 5.12894 63.7423 -194.619 PRESSAVG: 1261600 31.0028 -83.6825 16.7948 -83.6825 -37.7643 -21.2713 16.7948 -21.2713 -0.523946 GPRESSAVG: 1261600 29.5187 -85.1848 17.2057 -81.595 -34.4143 -20.7364 17.7489 -20.4229 -2.35371 TIMING: 1261600 CPU: 4056.26, 0.00315943/step Wall: 4056.26, 0.00315943/step, 3.28089 hours remaining, 233.339844 MB of memory in use. ENERGY: 1261600 4042.8189 20418.6102 14482.8385 258.9907 -203902.2444 2463.7787 0.0000 0.0000 52324.5645 -109910.6429 300.7100 -162235.2074 -109551.0916 299.1267 -14.7423 18.9223 758227.3400 -2.4285 -2.4164 PRESSURE: 1261800 -62.6709 -38.6848 -213.852 -38.6846 48.8293 242.942 -213.852 242.944 146.395 GPRESSURE: 1261800 10.636 61.6303 -196.627 15.4053 -27.0064 202.575 -183.113 263.011 231.618 PRESSAVG: 1261800 -11.8541 -8.36494 29.824 -8.36492 38.523 18.7375 29.8241 18.7376 -4.02748 GPRESSAVG: 1261800 -11.4569 -7.54463 28.8653 -8.78763 37.3737 18.7678 29.5413 19.2313 -3.07968 TIMING: 1261800 CPU: 4056.9, 0.00317388/step Wall: 4056.9, 0.00317388/step, 3.29572 hours remaining, 233.339844 MB of memory in use. ENERGY: 1261800 3964.3049 20626.8163 14483.1913 257.2807 -203764.8880 2514.3304 0.0000 0.0000 51849.6587 -110069.3056 297.9807 -161918.9644 -109713.9416 298.8433 44.1845 71.7492 758939.3849 7.5471 7.6123 PRESSURE: 1262000 137.506 -41.2548 214.609 -41.2552 -80.4011 -103.208 214.608 -103.208 -153.571 GPRESSURE: 1262000 131.624 -37.2373 272.25 100.432 -19.053 -110.908 85.1165 -52.4405 -136.286 PRESSAVG: 1262000 -28.3843 -27.6085 37.0279 -27.6085 32.3145 2.86738 37.0279 2.86738 -11.2528 GPRESSAVG: 1262000 -28.8634 -27.4228 38.3574 -30.0257 32.5473 2.99415 35.687 2.99536 -10.9155 TIMING: 1262000 CPU: 4057.53, 0.00315872/step Wall: 4057.53, 0.00315872/step, 3.2798 hours remaining, 233.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1262000 4079.2976 20480.4333 14453.3511 237.9864 -203533.1979 2479.2472 0.0000 0.0000 52036.2552 -109766.6271 299.0531 -161802.8824 -109403.6200 299.0139 -32.1552 -7.9051 759166.6535 -2.4408 -2.4105 PRESSURE: 1262200 -158.222 -135.353 -34.4013 -135.354 337.475 101.897 -34.4014 101.898 345.069 GPRESSURE: 1262200 -31.8814 -108.074 -102.624 -100.695 260.285 111.905 26.4666 148.69 384.676 PRESSAVG: 1262200 14.9549 -35.5561 -21.5769 -35.5561 14.7505 13.1698 -21.5769 13.1699 0.219656 GPRESSAVG: 1262200 16.0261 -36.5555 -22.0412 -33.8638 13.3956 14.2334 -17.5681 12.6561 0.473514 TIMING: 1262200 CPU: 4058.16, 0.00317328/step Wall: 4058.16, 0.00317328/step, 3.29475 hours remaining, 233.339844 MB of memory in use. ENERGY: 1262200 3893.0782 20598.3135 14441.0580 249.2895 -203631.5687 2539.0572 0.0000 0.0000 52140.5080 -109770.2642 299.6522 -161910.7722 -109419.8416 299.4745 174.7740 204.3598 759212.6768 9.9750 9.9651 PRESSURE: 1262400 -20.1304 68.4461 126.574 68.4474 107.74 86.7604 126.575 86.7614 -402.64 GPRESSURE: 1262400 -31.8081 109.984 166.475 -15.9431 155.598 122.824 26.2072 82.9934 -341.381 PRESSAVG: 1262400 -59.2181 -41.5769 0.547018 -41.5769 48.2321 16.3741 0.54704 16.374 -17.1215 GPRESSAVG: 1262400 -59.949 -40.1703 0.441746 -41.4395 48.2433 15.1415 -1.931 15.2396 -16.5693 TIMING: 1262400 CPU: 4058.8, 0.00316994/step Wall: 4058.8, 0.00316994/step, 3.2911 hours remaining, 233.339844 MB of memory in use. ENERGY: 1262400 4055.8436 20380.3584 14436.8289 237.4054 -203691.6379 2718.1130 0.0000 0.0000 52102.9011 -109760.1875 299.4361 -161863.0886 -109402.8588 300.0700 -105.0103 -72.5302 760501.6724 -9.3691 -9.4250 PRESSURE: 1262600 178.622 -154.589 -29.5767 -154.589 372.922 -46.7782 -29.5762 -46.7779 228.728 GPRESSURE: 1262600 286.073 -113.704 -85.6357 -86.6176 354.354 -124.435 103.194 -49.8632 232.155 PRESSAVG: 1262600 -8.11027 -47.1919 -47.8315 -47.1919 41.6482 -34.6706 -47.8315 -34.6706 8.88953 GPRESSAVG: 1262600 -8.86356 -48.4153 -47.507 -45.3404 42.9347 -34.7484 -46.9545 -33.9014 8.35383 TIMING: 1262600 CPU: 4059.43, 0.00318351/step Wall: 4059.43, 0.00318351/step, 3.30501 hours remaining, 233.410156 MB of memory in use. ENERGY: 1262600 3938.0678 20554.0705 14462.1100 247.5877 -203905.9586 2729.0822 0.0000 0.0000 52217.2200 -109757.8204 300.0931 -161975.0404 -109396.1378 299.7408 260.0908 290.8606 757852.0064 14.1425 14.1417 PRESSURE: 1262800 -45.72 175.876 163.88 175.876 -240.028 -23.0963 163.879 -23.0958 -418.854 GPRESSURE: 1262800 -71.0215 133.313 145.669 -33.0064 -193.555 -19.4621 240.926 -20.0865 -349.459 PRESSAVG: 1262800 16.1398 -15.1086 10.0127 -15.1086 -13.3097 -1.09611 10.0128 -1.09613 -1.68343 GPRESSAVG: 1262800 16.8465 -13.8905 9.46063 -17.9468 -13.6675 -0.945567 8.18192 -1.06702 -1.92907 TIMING: 1262800 CPU: 4060.07, 0.00316011/step Wall: 4060.07, 0.00316011/step, 3.28055 hours remaining, 233.410156 MB of memory in use. ENERGY: 1262800 3963.3399 20508.0072 14416.9251 244.2308 -203628.0446 2389.6550 0.0000 0.0000 52346.1644 -109759.7222 300.8341 -162105.8866 -109394.1357 299.4485 -234.8673 -204.6786 759008.6587 0.3822 0.4167 PRESSURE: 1263000 -69.3364 40.5551 308.436 40.5546 -77.7277 -323.972 308.435 -323.972 -523.714 GPRESSURE: 1263000 38.7463 -30.9063 272.442 174.855 -123.023 -233.896 284.519 -330.478 -491.938 PRESSAVG: 1263000 20.9957 -35.2925 40.707 -35.2925 -54.668 11.7598 40.707 11.7598 -5.23145 GPRESSAVG: 1263000 22.2364 -35.4256 39.8058 -33.5511 -54.9185 12.182 40.1457 13.8775 -6.05269 TIMING: 1263000 CPU: 4060.7, 0.00317145/step Wall: 4060.7, 0.00317145/step, 3.29214 hours remaining, 233.410156 MB of memory in use. ENERGY: 1263000 3996.1477 20667.1455 14402.8111 239.1128 -203244.0169 2172.5154 0.0000 0.0000 52016.9994 -109749.2852 298.9424 -161766.2846 -109394.8637 299.5707 -223.5926 -192.0716 759109.1734 -12.9679 -12.9116 PRESSURE: 1263200 -408.734 -61.8257 58.3322 -61.8253 -283.035 99.7264 58.3326 99.7258 45.9261 GPRESSURE: 1263200 -371.737 -43.6208 7.24466 -5.22339 -271.001 234.581 -18.2587 -13.7766 71.9505 PRESSAVG: 1263200 14.4859 -58.4194 8.30251 -58.4194 -17.5489 -68.8266 8.30245 -68.8266 -18.3096 GPRESSAVG: 1263200 14.3813 -58.035 9.29465 -59.7734 -16.8996 -68.4966 10.1902 -70.0395 -18.2816 TIMING: 1263200 CPU: 4061.34, 0.00319273/step Wall: 4061.34, 0.00319273/step, 3.31406 hours remaining, 233.410156 MB of memory in use. ENERGY: 1263200 3977.8369 20400.3451 14481.9858 241.5672 -203365.0963 2262.2500 0.0000 0.0000 52356.7696 -109644.3416 300.8951 -162001.1112 -109284.5028 299.6889 -215.2811 -190.2625 761667.1027 -7.1242 -6.9333 PRESSURE: 1263400 -46.0138 -174.097 -46.9931 -174.098 293.877 148.058 -46.993 148.057 522.243 GPRESSURE: 1263400 35.0138 -163.023 -127.679 -60.0224 240.298 147.707 -250.481 17.418 575.649 PRESSAVG: 1263400 -34.1162 -7.32299 -7.98531 -7.323 33.6149 6.80321 -7.98535 6.80319 -0.652007 GPRESSAVG: 1263400 -33.6982 -7.88411 -9.15348 -8.18263 31.9407 6.10654 -9.0391 8.61123 0.353924 TIMING: 1263400 CPU: 4061.98, 0.00318676/step Wall: 4061.98, 0.00318676/step, 3.30768 hours remaining, 233.410156 MB of memory in use. ENERGY: 1263400 3885.0240 20682.2911 14403.1331 248.8847 -203755.2580 2705.5279 0.0000 0.0000 52099.5680 -109730.8293 299.4169 -161830.3973 -109378.4508 299.5659 256.7019 283.6534 759824.1752 -0.3844 -0.4678 PRESSURE: 1263600 -138.334 -101.525 -26.0356 -101.525 -198.339 90.5161 -26.0358 90.5156 -52.7581 GPRESSURE: 1263600 -75.3521 -128.179 -106.081 -170.035 -40.4253 -12.5982 21.998 106.71 -174.512 PRESSAVG: 1263600 18.9096 -12.0806 -29.5154 -12.0806 29.2436 -20.9016 -29.5155 -20.9016 -20.8326 GPRESSAVG: 1263600 17.564 -12.8998 -30.1377 -9.47216 31.0208 -21.8933 -29.341 -21.747 -21.0782 TIMING: 1263600 CPU: 4062.61, 0.00317055/step Wall: 4062.61, 0.00317055/step, 3.29068 hours remaining, 233.410156 MB of memory in use. ENERGY: 1263600 3963.0305 20571.6770 14470.9367 233.9520 -203441.5142 2295.2556 0.0000 0.0000 52143.4088 -109763.2536 299.6689 -161906.6624 -109397.5944 299.5762 -129.8105 -96.7630 758785.9839 9.1069 9.1689 PRESSURE: 1263800 -4.68631 -83.3588 -87.1704 -83.3589 -174.987 33.9244 -87.1707 33.9236 -183.694 GPRESSURE: 1263800 -71.048 10.9152 -120.156 -43.4543 -29.6102 73.4822 -90.335 -31.4695 -173.458 PRESSAVG: 1263800 62.0395 -42.3257 -66.5501 -42.3258 -11.8747 -6.82337 -66.5501 -6.82333 15.4886 GPRESSAVG: 1263800 62.2564 -39.4346 -66.2282 -45.0169 -12.4372 -5.56962 -65.4638 -7.42016 15.638 TIMING: 1263800 CPU: 4063.24, 0.00316121/step Wall: 4063.24, 0.00316121/step, 3.28081 hours remaining, 233.410156 MB of memory in use. ENERGY: 1263800 3987.4632 20376.5725 14384.0979 249.7699 -203508.1606 2393.5501 0.0000 0.0000 52421.5435 -109695.1636 301.2673 -162116.7071 -109321.8741 299.5317 -121.1226 -91.3722 759632.9691 21.8845 21.8191 PRESSURE: 1264000 21.5749 93.0455 232.155 93.0448 112.277 11.5422 232.155 11.5427 137.43 GPRESSURE: 1264000 89.0811 78.3463 196.645 132.617 122.307 -18.4369 341.164 -48.1868 128.649 PRESSAVG: 1264000 -2.40972 -38.2386 -61.9263 -38.2385 15.8562 36.6261 -61.9263 36.6262 -9.27789 GPRESSAVG: 1264000 -2.08567 -39.4287 -61.2592 -38.4221 15.65 35.8191 -62.8429 36.9744 -8.66707 TIMING: 1264000 CPU: 4063.87, 0.00314418/step Wall: 4063.87, 0.00314418/step, 3.26296 hours remaining, 233.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1264000 3951.0699 20548.0980 14567.8399 241.4297 -203313.2640 2282.4491 0.0000 0.0000 52345.7789 -109376.5985 300.8319 -161722.3774 -109007.3833 300.2806 90.4272 113.3455 760394.5669 1.3895 1.6324 PRESSURE: 1264200 -284.392 -216.738 -68.2414 -216.738 -159.217 -84.415 -68.2415 -84.4148 1.78764 GPRESSURE: 1264200 -181.209 -154.303 -108.991 -241.114 -158.642 -52.0025 -43.3713 -65.9688 -6.40142 PRESSAVG: 1264200 -36.0527 -19.6495 20.1656 -19.6495 34.2735 -7.18141 20.1655 -7.18132 16.9675 GPRESSAVG: 1264200 -34.7322 -21.1079 20.549 -19.5179 33.2403 -5.84351 22.2539 -6.6252 17.0184 TIMING: 1264200 CPU: 4064.5, 0.00316495/step Wall: 4064.5, 0.00316495/step, 3.28434 hours remaining, 233.410156 MB of memory in use. ENERGY: 1264200 3987.0238 20532.7807 14468.6404 250.4734 -203034.4829 2288.7659 0.0000 0.0000 52223.7171 -109283.0816 300.1304 -161506.7987 -108924.8541 299.9855 -147.2740 -115.4173 761099.8955 5.0628 5.1755 LDB: ============= START OF LOAD BALANCING ============== 4076.93 LDB: ============== END OF LOAD BALANCING =============== 4076.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4076.93 LDB: ============= START OF LOAD BALANCING ============== 4077.25 LDB: Largest compute 7034 load 0.033923 is 17.4% of average load 0.195152 LDB: Average compute 0.004379 is 2.2% of average load 0.195152 LDB: TIME 4077.25 LOAD: AVG 0.195152 MAX 0.211283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.656 MB LDB: TIME 4077.25 LOAD: AVG 0.195152 MAX 0.211283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: TIME 4077.25 LOAD: AVG 0.195152 MAX 0.211283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: ============== END OF LOAD BALANCING =============== 4077.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4077.26 PRESSURE: 1264400 -171.411 -30.7244 62.0073 -30.7248 72.4404 -304.234 62.0074 -304.234 -72.4867 GPRESSURE: 1264400 2.92221 -64.5554 33.4211 -76.7551 15.0445 -186.864 151.455 -390.941 -112.55 PRESSAVG: 1264400 -68.506 -25.1515 -56.8183 -25.1514 68.8543 30.0173 -56.8184 30.0173 -3.64709 GPRESSAVG: 1264400 -67.9635 -23.8509 -55.9499 -25.425 67.612 31.8036 -59.7721 29.6466 -2.94159 TIMING: 1264400 CPU: 4065.16, 0.00325512/step Wall: 4065.16, 0.00325512/step, 3.37773 hours remaining, 230.296875 MB of memory in use. ENERGY: 1264400 3950.1818 20537.0659 14528.2191 236.0445 -203010.1415 2268.1955 0.0000 0.0000 52001.8905 -109488.5442 298.8556 -161490.4348 -109126.5036 299.8721 -57.1524 -31.5277 760943.0517 -1.0996 -1.0977 PRESSURE: 1264600 204.168 -228.981 39.98 -228.981 57.6603 94.4325 39.979 94.4331 -336.339 GPRESSURE: 1264600 194.242 -218.481 34.2453 -273.607 16.1213 117.341 -23.9265 -71.5211 -209.02 PRESSAVG: 1264600 26.0838 8.97896 -20.0953 8.9789 3.71353 -33.008 -20.0954 -33.008 14.6303 GPRESSAVG: 1264600 24.5628 8.53706 -21.3999 10.9582 5.51593 -35.2007 -18.4942 -32.7221 14.3037 TIMING: 1264600 CPU: 4065.79, 0.00316282/step Wall: 4065.79, 0.00316282/step, 3.28178 hours remaining, 230.496094 MB of memory in use. ENERGY: 1264600 3993.4133 20423.2022 14520.5189 249.6763 -203656.7122 2554.8232 0.0000 0.0000 51994.1825 -109920.8958 298.8113 -161915.0784 -109551.7437 299.6477 -24.8370 0.4477 758510.8991 14.8092 14.7941 PRESSURE: 1264800 -210.721 -127.676 271.051 -127.677 210.945 45.2167 271.051 45.2168 347.726 GPRESSURE: 1264800 -227.308 -46.4446 276.419 -98.0641 248.333 125.52 170.074 -7.68604 409.238 PRESSAVG: 1264800 -29.7527 2.89621 10.3094 2.89614 -9.24769 59.3848 10.3094 59.3848 16.854 GPRESSAVG: 1264800 -29.9747 0.884897 12.5278 3.57575 -8.50013 58.4863 9.33109 60.6788 16.4681 TIMING: 1264800 CPU: 4066.42, 0.0031459/step Wall: 4066.42, 0.0031459/step, 3.26405 hours remaining, 230.496094 MB of memory in use. ENERGY: 1264800 3946.2938 20596.8731 14417.8347 239.5340 -203783.0325 2584.5969 0.0000 0.0000 51747.6007 -110250.2993 297.3942 -161997.9000 -109898.6708 298.6122 115.9833 143.4212 759173.1517 -7.3821 -7.3355 PRESSURE: 1265000 383.857 17.3557 -151.664 17.3554 154.755 -20.5545 -151.665 -20.5557 87.811 GPRESSURE: 1265000 356.537 68.1888 -174.044 56.053 323.944 1.9928 -145.726 -179.563 10.9008 PRESSAVG: 1265000 -2.73631 -37.1895 -56.1157 -37.1895 -6.15527 57.3884 -56.1157 57.3883 11.2269 GPRESSAVG: 1265000 -1.93832 -37.1581 -59.4146 -39.9257 -7.46744 57.7222 -55.7565 56.4991 11.2999 TIMING: 1265000 CPU: 4067.05, 0.00314779/step Wall: 4067.05, 0.00314779/step, 3.26583 hours remaining, 230.496094 MB of memory in use. ENERGY: 1265000 4019.9012 20318.3584 14476.8955 240.4171 -203668.9507 2634.7465 0.0000 0.0000 51749.3580 -110229.2740 297.4043 -161978.6320 -109855.6681 298.1604 208.8077 230.4607 758597.3401 0.7785 0.6314 PRESSURE: 1265200 -573.54 -75.9068 -31.9425 -75.9073 127.272 49.8141 -31.9414 49.8145 -174.183 GPRESSURE: 1265200 -534.745 -168.725 -57.7756 16.0666 149.728 77.3179 100.363 18.8969 -166.72 PRESSAVG: 1265200 -46.7435 -46.7779 16.0242 -46.7777 22.1299 15.1685 16.0242 15.1684 -9.95041 GPRESSAVG: 1265200 -48.3795 -45.1504 17.9437 -45.4707 23.2653 15.1394 17.3192 15.9625 -8.77792 TIMING: 1265200 CPU: 4067.68, 0.00314497/step Wall: 4067.68, 0.00314497/step, 3.26273 hours remaining, 230.496094 MB of memory in use. ENERGY: 1265200 4009.8581 20438.0366 14434.7368 252.2064 -203565.4863 2355.6557 0.0000 0.0000 51770.3308 -110304.6618 297.5248 -162074.9927 -109953.8275 297.9316 -206.8170 -183.9121 760038.6631 -11.5214 -11.2974 PRESSURE: 1265400 -106.451 -260.296 -67.0526 -260.297 235.291 -51.3886 -67.0531 -51.388 -572.002 GPRESSURE: 1265400 -41.9504 -117.716 36.6445 -237.243 150.049 -12.6744 -74.1704 -2.13468 -443.546 PRESSAVG: 1265400 2.77883 -66.016 -28.5205 -66.016 -0.901808 25.0897 -28.5205 25.0896 4.11995 GPRESSAVG: 1265400 4.27869 -66.396 -28.5032 -65.3411 -2.40609 26.09 -30.3604 22.9389 3.92067 TIMING: 1265400 CPU: 4068.31, 0.00316347/step Wall: 4068.31, 0.00316346/step, 3.28174 hours remaining, 230.496094 MB of memory in use. ENERGY: 1265400 3970.7259 20402.4545 14425.8183 248.6247 -203669.5558 2291.9229 0.0000 0.0000 52086.3953 -110243.6142 299.3412 -162330.0095 -109871.7832 297.9869 -147.7205 -111.8160 758927.4932 1.9990 1.9311 PRESSURE: 1265600 -158.657 -3.00564 -191.44 -3.00533 -222.161 -7.34492 -191.441 -7.34546 -298.731 GPRESSURE: 1265600 -139.33 47.5715 -275.917 -2.07169 -181.591 -53.8696 -59.4195 127.533 -240.362 PRESSAVG: 1265600 -36.9479 -58.141 44.9202 -58.141 35.6997 -11.1085 44.9201 -11.1084 -6.08673 GPRESSAVG: 1265600 -36.3197 -57.2013 45.5117 -58.6342 36.3514 -11.4229 45.6698 -9.9492 -6.71459 TIMING: 1265600 CPU: 4068.94, 0.00317098/step Wall: 4068.94, 0.00317099/step, 3.28937 hours remaining, 230.496094 MB of memory in use. ENERGY: 1265600 3892.7406 20423.8301 14412.0206 252.8624 -203478.9416 2416.2726 0.0000 0.0000 52016.1976 -110065.0177 298.9378 -162081.2153 -109702.5169 298.5306 -226.5162 -187.0946 759656.5179 -2.4450 -2.2276 PRESSURE: 1265800 -145.979 -256.382 313.147 -256.382 -22.3509 -67.3798 313.147 -67.3785 143.808 GPRESSURE: 1265800 -32.6738 -199.224 317.9 -207.278 -35.9317 -35.3583 337.013 -74.1791 108.66 PRESSAVG: 1265800 33.2201 -67.1761 42.1524 -67.1761 8.66247 -4.70972 42.1523 -4.70983 -7.58626 GPRESSAVG: 1265800 32.8943 -68.6295 43.0574 -66.2986 8.13907 -4.66545 39.4494 -4.87167 -6.97141 TIMING: 1265800 CPU: 4069.58, 0.00316452/step Wall: 4069.58, 0.00316452/step, 3.28248 hours remaining, 230.496094 MB of memory in use. ENERGY: 1265800 4060.1175 20500.8304 14476.9123 237.0953 -203807.1962 2602.2880 0.0000 0.0000 52039.0651 -109890.8876 299.0692 -161929.9526 -109525.8337 298.7653 -8.1741 13.3515 760022.1545 11.4321 11.3540 PRESSURE: 1266000 -365.253 80.0145 85.5344 80.0147 -0.384155 82.5597 85.5339 82.5601 125.266 GPRESSURE: 1266000 -323.764 89.0816 98.0427 57.6517 4.74423 195.04 85.6999 -61.1561 151.514 PRESSAVG: 1266000 22.6944 -20.304 -16.4071 -20.304 -44.2975 10.6513 -16.4071 10.6512 -7.22077 GPRESSAVG: 1266000 22.0891 -20.865 -17.2556 -19.5207 -43.5529 10.5045 -15.4247 8.70977 -7.66794 TIMING: 1266000 CPU: 4070.2, 0.0031414/step Wall: 4070.2, 0.0031414/step, 3.25833 hours remaining, 230.496094 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: 1266000 3923.7205 20501.0522 14434.7432 246.5002 -203540.1161 2603.5559 0.0000 0.0000 51977.1033 -109853.4407 298.7131 -161830.5440 -109493.9480 299.0229 -80.1236 -55.8351 761830.2172 -9.6079 -9.7106 PRESSURE: 1266200 -337.69 -7.97611 -122.007 -7.97687 -20.5053 -183.323 -122.007 -183.323 41.1064 GPRESSURE: 1266200 -326.391 65.0913 -161.365 72.4076 16.5629 -277.6 -109.87 -77.534 89.0726 PRESSAVG: 1266200 -1.41504 -43.2719 18.2494 -43.2719 30.0732 -2.59432 18.2494 -2.5944 18.3282 GPRESSAVG: 1266200 -0.622568 -42.4414 16.4839 -43.4068 29.2758 -1.59551 18.7354 -1.93808 18.8822 TIMING: 1266200 CPU: 4070.83, 0.0031532/step Wall: 4070.83, 0.0031532/step, 3.27039 hours remaining, 230.496094 MB of memory in use. ENERGY: 1266200 3975.5983 20583.2576 14473.7845 230.3177 -203552.6589 2476.5721 0.0000 0.0000 51966.4226 -109846.7060 298.6517 -161813.1287 -109495.4720 298.5503 -105.6964 -73.5853 758629.5363 15.6621 15.8452 PRESSURE: 1266400 8.84248 154.38 35.8926 154.38 -131.472 -209.648 35.8932 -209.649 -52.0512 GPRESSURE: 1266400 35.8673 26.4099 11.9409 29.7217 -18.0082 -223.848 9.85231 -95.354 -95.3451 PRESSAVG: 1266400 -9.19861 -37.0365 -9.88978 -37.0365 -8.77817 -20.5526 -9.88984 -20.5527 14.215 GPRESSAVG: 1266400 -9.95402 -36.7863 -7.90748 -39.5651 -8.5691 -21.8685 -8.03737 -17.0703 14.2061 TIMING: 1266400 CPU: 4071.47, 0.00315557/step Wall: 4071.47, 0.00315557/step, 3.27268 hours remaining, 230.496094 MB of memory in use. ENERGY: 1266400 4016.3013 20672.1302 14536.3439 244.0615 -202959.3661 2156.4695 0.0000 0.0000 51696.1464 -109637.9132 297.0985 -161334.0597 -109286.2660 299.2868 -58.2271 -25.8286 760641.3943 -1.2539 -1.4390 PRESSURE: 1266600 -414.82 114.868 92.5031 114.87 -351.887 -209.301 92.5028 -209.301 -384.876 GPRESSURE: 1266600 -300.48 184.465 96.186 130.66 -424.26 -132.288 92.5957 -305.257 -341.686 PRESSAVG: 1266600 -22.4823 15.5225 -9.2464 15.5225 66.2892 -34.8156 -9.24644 -34.8156 13.5065 GPRESSAVG: 1266600 -21.787 14.4071 -10.4397 16.7025 66.0257 -34.9753 -10.1727 -35.7527 12.8341 TIMING: 1266600 CPU: 4072.1, 0.00315738/step Wall: 4072.1, 0.00315738/step, 3.27438 hours remaining, 230.496094 MB of memory in use. ENERGY: 1266600 4019.6817 20492.6435 14454.0085 264.9179 -203223.2260 2280.1476 0.0000 0.0000 52176.9012 -109534.9255 299.8614 -161711.8267 -109177.2452 299.2565 -383.8608 -355.4751 759592.4736 19.1045 19.0243 PRESSURE: 1266800 196.762 -111.885 21.2639 -111.885 9.16906 152.181 21.2643 152.181 117.026 GPRESSURE: 1266800 135.658 -68.8989 70.2078 -97.074 120.501 90.7357 109.047 146.257 142.488 PRESSAVG: 1266800 -27.3424 -32.8706 -24.1445 -32.8706 0.0395445 38.0484 -24.1445 38.0483 -17.6697 GPRESSAVG: 1266800 -28.7514 -30.6805 -23.1188 -32.4808 0.840413 38.2168 -22.9861 36.3804 -16.7697 TIMING: 1266800 CPU: 4072.73, 0.00314906/step Wall: 4072.73, 0.00314906/step, 3.26558 hours remaining, 230.496094 MB of memory in use. ENERGY: 1266800 3974.6718 20497.1969 14443.0610 250.5988 -202961.4130 2180.6183 0.0000 0.0000 52105.5636 -109509.7026 299.4514 -161615.2661 -109144.7129 299.3019 107.6527 132.8821 759719.0234 -14.9909 -14.8936 PRESSURE: 1267000 -162.06 135.559 -192.401 135.559 -397.679 -187.242 -192.401 -187.241 118.07 GPRESSURE: 1267000 -164.13 42.455 -139.63 226.504 -284.128 -168.507 -464.604 -261.968 90.3997 PRESSAVG: 1267000 -28.1516 -26.2591 -38.578 -26.2591 43.068 63.7591 -38.5781 63.7591 13.216 GPRESSAVG: 1267000 -27.7013 -28.7864 -39.5041 -26.2557 44.2959 63.3008 -40.7434 64.9204 11.5592 TIMING: 1267000 CPU: 4073.36, 0.00315452/step Wall: 4073.36, 0.00315452/step, 3.27106 hours remaining, 230.496094 MB of memory in use. ENERGY: 1267000 4055.9681 20267.3339 14475.8586 264.4765 -202985.9425 2199.1657 0.0000 0.0000 51987.1000 -109736.0397 298.7706 -161723.1397 -109360.2633 299.1797 -147.2230 -119.2859 759932.6116 9.3775 9.3846 PRESSURE: 1267200 -18.7606 -42.7108 -30.8959 -42.7105 118.381 -160.516 -30.8948 -160.517 -382.434 GPRESSURE: 1267200 20.3454 -118.299 -68.0071 -163.86 122.738 -102.814 -27.455 -134.553 -343.185 PRESSAVG: 1267200 -16.1128 -5.67408 -40.135 -5.67405 68.0942 -27.8816 -40.135 -27.8817 8.94498 GPRESSAVG: 1267200 -15.1058 -4.39627 -41.0334 -7.11147 66.5837 -26.2718 -38.0785 -27.7889 9.86107 TIMING: 1267200 CPU: 4073.99, 0.00315379/step Wall: 4073.99, 0.00315379/step, 3.27013 hours remaining, 230.496094 MB of memory in use. ENERGY: 1267200 3962.8785 20473.0252 14465.9917 278.7090 -203553.9214 2669.0632 0.0000 0.0000 52092.5122 -109611.7417 299.3764 -161704.2539 -109252.3238 299.2128 -94.2715 -66.7007 759427.1751 20.3088 20.4463 PRESSURE: 1267400 -160.039 146.189 -119.854 146.189 -60.3826 153.069 -119.855 153.069 398.685 GPRESSURE: 1267400 -130.383 -22.3501 -73.2208 192.118 -33.4834 270.349 -88.6806 78.4941 422.557 PRESSAVG: 1267400 24.4438 -26.8872 0.313977 -26.8871 1.04721 26.5896 0.313984 26.5895 29.1391 GPRESSAVG: 1267400 22.9218 -28.3896 2.51721 -22.4254 2.48032 24.1198 -1.462 25.9768 28.909 TIMING: 1267400 CPU: 4074.62, 0.00315877/step Wall: 4074.62, 0.00315877/step, 3.27512 hours remaining, 230.496094 MB of memory in use. ENERGY: 1267400 3926.6977 20674.7775 14454.1243 228.3682 -203021.6679 2443.4116 0.0000 0.0000 51809.0554 -109485.2333 297.7474 -161294.2887 -109125.7128 299.2802 59.4212 86.2303 760286.8747 18.2101 18.1037 PRESSURE: 1267600 -483.597 -88.5174 294.309 -88.5176 -14.7146 -187.782 294.309 -187.781 -310.908 GPRESSURE: 1267600 -380.926 -194.981 332.092 -3.11118 -49.3451 -153.567 260.766 -239.959 -268.589 PRESSAVG: 1267600 -34.8708 -27.0139 14.4835 -27.0139 2.59167 -11.1288 14.4835 -11.1288 -11.2132 GPRESSAVG: 1267600 -33.0418 -27.4357 12.1726 -29.4342 1.66026 -9.72246 16.9866 -12.8137 -11.8715 TIMING: 1267600 CPU: 4075.25, 0.00317254/step Wall: 4075.25, 0.00317254/step, 3.28922 hours remaining, 230.496094 MB of memory in use. ENERGY: 1267600 4001.5782 20468.8542 14504.5920 248.7538 -202827.7522 2074.0755 0.0000 0.0000 52126.6956 -109403.2030 299.5728 -161529.8986 -109032.3314 299.6233 -269.7400 -232.9533 762473.5645 -14.4974 -14.4177 PRESSURE: 1267800 84.1581 170.072 -143.843 170.072 -207.921 -135.223 -143.844 -135.224 160.526 GPRESSURE: 1267800 71.6692 101.319 -83.2261 172.165 -118.958 -111.796 -144.172 -17.1082 173.342 PRESSAVG: 1267800 -34.5258 -50.4476 -63.1866 -50.4476 -0.0124672 -46.6446 -63.1865 -46.6445 -9.16907 GPRESSAVG: 1267800 -35.0884 -49.0782 -61.1864 -49.8704 -0.487787 -45.041 -65.132 -45.3252 -8.27344 TIMING: 1267800 CPU: 4075.89, 0.00317723/step Wall: 4075.89, 0.00317723/step, 3.2939 hours remaining, 230.496094 MB of memory in use. ENERGY: 1267800 4020.2300 20465.7278 14431.5841 256.2408 -202826.7653 2264.2412 0.0000 0.0000 52280.7976 -109107.9438 300.4585 -161388.7413 -108747.3162 300.1924 12.2542 42.0175 760938.2052 -14.5691 -14.6165 PRESSURE: 1268000 -238.211 -243.25 -57.8398 -243.251 -99.0011 16.7787 -57.8396 16.7787 196.645 GPRESSURE: 1268000 -156.383 -195.616 -19.2913 -148.313 -102.588 -45.0706 -97.716 17.733 194.723 PRESSAVG: 1268000 -77.2978 -34.6493 -38.8473 -34.6493 49.9026 -27.9208 -38.8474 -27.9208 -3.32369 GPRESSAVG: 1268000 -78.3782 -35.16 -38.705 -32.5496 50.5484 -27.9079 -38.6633 -26.7185 -3.1965 TIMING: 1268000 CPU: 4076.53, 0.00317914/step Wall: 4076.53, 0.00317914/step, 3.29571 hours remaining, 230.496094 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: 1268000 4004.1653 20512.8441 14512.9229 249.5567 -202968.1111 2089.5260 0.0000 0.0000 52174.5688 -109424.5274 299.8480 -161599.0962 -109046.4595 299.8947 -46.8556 -21.4158 760498.9360 -10.2396 -10.3421 PRESSURE: 1268200 57.8773 146.349 -45.0917 146.349 -145.9 84.3122 -45.0924 84.3112 199.133 GPRESSURE: 1268200 148.201 208.936 -46.4847 96.2289 -124.751 145.562 -27.6563 -17.4078 179.216 PRESSAVG: 1268200 16.9885 -14.6643 -47.1454 -14.6643 -19.449 29.6801 -47.1455 29.68 13.3392 GPRESSAVG: 1268200 18.7508 -13.6429 -48.3746 -15.8204 -20.9954 30.2936 -48.1349 29.7527 13.3019 TIMING: 1268200 CPU: 4077.16, 0.00317787/step Wall: 4077.16, 0.00317788/step, 3.29422 hours remaining, 230.496094 MB of memory in use. ENERGY: 1268200 3917.3534 20486.7979 14540.4654 246.2022 -202938.9939 2221.1445 0.0000 0.0000 52090.0928 -109436.9378 299.3625 -161527.0305 -109075.1784 299.4620 37.0368 67.5552 761664.8326 3.6262 3.6858 LDB: ============= START OF LOAD BALANCING ============== 4089.59 LDB: ============== END OF LOAD BALANCING =============== 4089.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4089.59 LDB: ============= START OF LOAD BALANCING ============== 4089.9 LDB: Largest compute 7030 load 0.034633 is 17.7% of average load 0.195209 LDB: Average compute 0.004396 is 2.3% of average load 0.195209 LDB: TIME 4089.91 LOAD: AVG 0.195209 MAX 0.218908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.484 MB LDB: TIME 4089.91 LOAD: AVG 0.195209 MAX 0.218908 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.523 MB LDB: TIME 4089.91 LOAD: AVG 0.195209 MAX 0.215543 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.523 MB LDB: ============== END OF LOAD BALANCING =============== 4089.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4089.92 PRESSURE: 1268400 103.541 -59.2074 -137.374 -59.2072 41.8722 205.373 -137.373 205.373 378.075 GPRESSURE: 1268400 147.815 -58.8652 -126.709 -219.837 17.7025 340.801 -251.286 160.489 437.389 PRESSAVG: 1268400 14.1061 -22.1802 -39.5794 -22.1802 -25.2524 55.4586 -39.5794 55.4586 -3.92082 GPRESSAVG: 1268400 13.2628 -22.43 -40.6934 -22.2562 -23.2142 53.6775 -36.9868 53.8997 -5.0146 TIMING: 1268400 CPU: 4077.81, 0.00323896/step Wall: 4077.81, 0.00323896/step, 3.35736 hours remaining, 233.000000 MB of memory in use. ENERGY: 1268400 4059.5043 20517.6406 14512.6974 247.2556 -203235.0736 2425.1838 0.0000 0.0000 52336.0357 -109136.7563 300.7759 -161472.7919 -108770.9414 299.6465 174.4961 200.9688 758818.6624 -5.0224 -4.9887 PRESSURE: 1268600 245.075 -61.5684 -208.051 -61.5686 -26.7755 -70.6252 -208.051 -70.6254 -38.9948 GPRESSURE: 1268600 205.492 -33.5646 -267.79 32.1185 73.2821 -106.579 -245.176 141.26 -9.77527 PRESSAVG: 1268600 -10.6678 -58.4238 1.76787 -58.4239 -26.6181 21.1929 1.7678 21.1929 -26.7352 GPRESSAVG: 1268600 -11.9755 -59.8388 2.06881 -58.2988 -26.4933 21.5341 0.174606 23.0121 -25.8882 TIMING: 1268600 CPU: 4078.44, 0.00316916/step Wall: 4078.44, 0.00316916/step, 3.28484 hours remaining, 233.199219 MB of memory in use. ENERGY: 1268600 3922.3529 20496.7437 14568.4130 250.0445 -203154.1867 2470.1388 0.0000 0.0000 52193.4286 -109253.0652 299.9564 -161446.4938 -108891.2648 300.1451 59.7681 89.6663 759564.4302 -21.3404 -21.4524 PRESSURE: 1268800 -3.55376 -97.8457 212.781 -97.8451 28.084 82.0036 212.781 82.0039 499.172 GPRESSURE: 1268800 10.8383 -6.27608 233.613 -123.553 136.715 48.2837 235.971 -118.317 450.8 PRESSAVG: 1268800 -13.7322 -59.558 2.32739 -59.558 6.61084 48.9882 2.32738 48.9882 -9.39039 GPRESSAVG: 1268800 -13.1051 -57.718 3.81516 -61.07 6.51941 50.7095 2.03148 47.4354 -9.95755 TIMING: 1268800 CPU: 4079.08, 0.00317289/step Wall: 4079.08, 0.00317289/step, 3.28853 hours remaining, 233.199219 MB of memory in use. ENERGY: 1268800 3924.6534 20631.2922 14522.7865 255.8146 -203137.7728 2269.7275 0.0000 0.0000 52189.9259 -109343.5727 299.9362 -161533.4985 -108980.8129 299.7384 174.5675 199.4513 759844.3546 -5.5039 -5.5144 PRESSURE: 1269000 -186.57 -25.8766 -28.8351 -25.8765 -89.8029 190.444 -28.8352 190.444 -125.647 GPRESSURE: 1269000 -104.195 -14.9506 -22.9062 91.899 -82.0894 101.691 -40.1747 156.057 -124.807 PRESSAVG: 1269000 -37.4587 -23.2214 -36.1105 -23.2214 43.4283 5.55269 -36.1105 5.55274 -8.82762 GPRESSAVG: 1269000 -38.157 -23.5665 -36.3303 -20.3961 42.7056 3.57829 -36.8696 6.39308 -7.73429 TIMING: 1269000 CPU: 4079.71, 0.00314949/step Wall: 4079.71, 0.00314949/step, 3.2641 hours remaining, 233.199219 MB of memory in use. ENERGY: 1269000 4040.5748 20586.8221 14492.2561 241.1060 -202966.4134 2294.3985 0.0000 0.0000 51990.9629 -109320.2930 298.7928 -161311.2559 -108962.8481 299.9622 -134.0066 -103.6973 760603.6905 -0.9527 -1.0619 PRESSURE: 1269200 -395.299 -224.507 -46.7498 -224.507 -450.334 -113.611 -46.7498 -113.611 -331.003 GPRESSURE: 1269200 -320.319 -290.39 -38.0045 -111.788 -365.681 -44.43 92.1 20.8869 -374.442 PRESSAVG: 1269200 -25.6391 -27.2539 -36.6346 -27.2538 -43.1084 44.4049 -36.6346 44.405 -0.803688 GPRESSAVG: 1269200 -24.5553 -28.4372 -38.1263 -27.5466 -43.0259 43.1247 -35.8057 45.2427 -2.14025 TIMING: 1269200 CPU: 4080.34, 0.00318658/step Wall: 4080.34, 0.00318658/step, 3.30236 hours remaining, 233.199219 MB of memory in use. ENERGY: 1269200 4064.1176 20490.1035 14481.9567 243.3311 -202805.9304 2077.9293 0.0000 0.0000 52009.8467 -109438.6455 298.9013 -161448.4922 -109074.2489 299.9779 -392.2120 -353.4806 762542.1685 -23.1837 -23.2405 PRESSURE: 1269400 96.1833 -78.8062 94.7143 -78.8061 58.7899 -304.74 94.7142 -304.74 -372.438 GPRESSURE: 1269400 68.8099 -34.0377 40.6847 -144.775 98.5245 -263.981 -10.0099 -195.989 -294.448 PRESSAVG: 1269400 23.1567 -51.8706 21.2272 -51.8707 -29.7501 29.1246 21.2271 29.1246 -10.9013 GPRESSAVG: 1269400 22.5488 -51.4029 20.0475 -53.319 -29.3214 30.8821 23.6828 28.2068 -10.9324 TIMING: 1269400 CPU: 4080.98, 0.00318352/step Wall: 4080.98, 0.00318352/step, 3.29901 hours remaining, 233.269531 MB of memory in use. ENERGY: 1269400 3932.9716 20447.8470 14497.4449 247.0724 -203686.3595 2706.6103 0.0000 0.0000 52326.8971 -109527.5162 300.7234 -161854.4133 -109165.1704 299.4019 -72.4882 -42.3711 760250.7296 -5.8316 -5.9017 PRESSURE: 1269600 -152.487 117.682 81.3562 117.682 77.1589 198.167 81.3565 198.167 56.2433 GPRESSURE: 1269600 -63.9074 -29.8017 49.8826 132.027 33.2136 216.029 42.592 93.5183 113.38 PRESSAVG: 1269600 -19.4092 0.0159607 26.5548 0.0159057 38.2833 -4.35697 26.5548 -4.35695 9.10061 GPRESSAVG: 1269600 -19.0588 -0.682741 26.1744 0.990004 37.2423 -4.02323 26.6709 -2.7333 9.72608 TIMING: 1269600 CPU: 4081.62, 0.00317125/step Wall: 4081.62, 0.00317125/step, 3.28612 hours remaining, 233.269531 MB of memory in use. ENERGY: 1269600 4020.3765 20521.0609 14392.9536 244.7023 -203365.0081 2565.9644 0.0000 0.0000 52169.7026 -109450.2479 299.8200 -161619.9505 -109089.0096 299.5174 -6.3615 27.5620 759802.6558 9.3249 9.3032 PRESSURE: 1269800 348.278 -48.3169 -24.9618 -48.317 180.45 44.234 -24.9616 44.2347 300.997 GPRESSURE: 1269800 301.932 -45.9426 -68.9528 -52.1143 265.363 140.119 -74.5631 -52.6843 351.244 PRESSAVG: 1269800 54.0627 -57.4299 -32.0571 -57.4299 -40.1808 18.3671 -32.057 18.367 -31.9566 GPRESSAVG: 1269800 53.2398 -55.7245 -31.5195 -58.1819 -41.0344 17.753 -34.0976 19.1115 -31.2663 TIMING: 1269800 CPU: 4082.25, 0.00317072/step Wall: 4082.25, 0.00317072/step, 3.28539 hours remaining, 233.269531 MB of memory in use. ENERGY: 1269800 3946.3405 20573.0482 14452.4244 256.0535 -203709.7899 2860.7972 0.0000 0.0000 52231.3324 -109389.7936 300.1742 -161621.1260 -109016.4350 299.4184 276.5748 306.1797 760474.9087 -6.0249 -6.3537 PRESSURE: 1270000 1.57651 -281.506 -132.629 -281.506 -5.89026 -81.4897 -132.629 -81.4899 -10.8651 GPRESSURE: 1270000 43.1168 -225.456 -95.3258 -131.332 66.0577 -80.145 -6.26874 -119.606 -43.7063 PRESSAVG: 1270000 -39.1403 -17.7914 -2.00874 -17.7915 -5.92252 -24.44 -2.00877 -24.4401 -18.3251 GPRESSAVG: 1270000 -38.4783 -18.1813 -0.956902 -18.3024 -3.9491 -24.102 -1.9084 -25.7855 -20.7985 TIMING: 1270000 CPU: 4082.88, 0.00314953/step Wall: 4082.88, 0.00314953/step, 3.26326 hours remaining, 233.269531 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: 1270000 3935.2216 20550.3132 14448.8801 240.7778 -203040.6055 2301.9336 0.0000 0.0000 52240.3232 -109323.1560 300.2259 -161563.4792 -108959.4196 300.0566 -5.0596 21.8228 761157.2966 -21.1293 -21.0753 PRESSURE: 1270200 -116.609 -79.3983 204.181 -79.3979 -75.1482 47.3785 204.18 47.3794 179.673 GPRESSURE: 1270200 -29.5482 -44.2646 108.165 -36.3299 -69.7763 81.5302 209.25 72.5288 176.429 PRESSAVG: 1270200 54.0274 -47.2964 -31.4191 -47.2965 -13.0148 -49.7797 -31.4191 -49.7797 4.30381 GPRESSAVG: 1270200 54.7489 -48.7368 -30.8841 -45.8368 -15.1889 -50.0046 -31.3546 -50.5279 5.50109 TIMING: 1270200 CPU: 4083.52, 0.00317829/step Wall: 4083.52, 0.00317829/step, 3.29289 hours remaining, 233.472656 MB of memory in use. ENERGY: 1270200 3971.3502 20622.7931 14474.0918 253.0582 -203474.5553 2444.8210 0.0000 0.0000 52213.0963 -109495.3447 300.0694 -161708.4410 -109127.5235 299.0909 -4.0280 25.7015 758815.4938 15.1055 15.0204 PRESSURE: 1270400 -352.103 -107.685 -50.6349 -107.686 19.3437 28.0747 -50.6335 28.0749 -74.5679 GPRESSURE: 1270400 -179.13 -135.777 -23.1789 -233.629 -18.1899 13.5757 -42.602 21.2514 -131.899 PRESSAVG: 1270400 -18.8211 -47.079 1.6381 -47.079 23.4363 26.5824 1.63816 26.5825 13.2652 GPRESSAVG: 1270400 -19.7206 -45.5232 1.40315 -49.2601 25.2641 26.6313 1.7913 27.2515 12.6722 TIMING: 1270400 CPU: 4084.15, 0.00316289/step Wall: 4084.15, 0.00316288/step, 3.27675 hours remaining, 233.472656 MB of memory in use. ENERGY: 1270400 4014.1903 20540.9910 14474.7662 254.4814 -203284.5732 2449.6976 0.0000 0.0000 52145.0714 -109405.3752 299.6784 -161550.4466 -109042.2094 299.3301 -135.7758 -109.7395 759213.0814 5.9601 6.0719 PRESSURE: 1270600 -531.95 -272.332 39.6733 -272.331 155.277 -129.822 39.6733 -129.822 -222.946 GPRESSURE: 1270600 -509.206 -274.517 -87.5309 -140.75 256.176 -67.6805 -54.4164 -254.485 -263.721 PRESSAVG: 1270600 -22.1193 -90.2934 -76.9094 -90.2934 -5.39537 -6.75635 -76.9094 -6.75637 2.14179 GPRESSAVG: 1270600 -21.6218 -91.9702 -77.4488 -89.1857 -7.95574 -6.99638 -78.3524 -7.62123 3.66387 TIMING: 1270600 CPU: 4084.78, 0.00314596/step Wall: 4084.78, 0.00314596/step, 3.25904 hours remaining, 233.472656 MB of memory in use. ENERGY: 1270600 4002.2730 20579.5755 14409.5147 261.7613 -203425.9262 2404.1133 0.0000 0.0000 52037.5980 -109731.0905 299.0608 -161768.6886 -109372.0550 299.5352 -199.8733 -172.2505 759773.3421 -8.4576 -8.6379 PRESSURE: 1270800 89.7538 -51.1574 -113.847 -51.1574 152.057 -388.129 -113.846 -388.129 136.145 GPRESSURE: 1270800 108.804 -30.1026 -157.155 43.4937 206.254 -361.262 -185.034 -199.058 161.41 PRESSAVG: 1270800 -9.54153 -73.7982 -2.66866 -73.7983 19.3406 -37.8083 -2.66867 -37.8083 -3.12639 GPRESSAVG: 1270800 -10.311 -72.1426 -2.05458 -71.8636 20.1462 -38.6899 -2.279 -37.382 -3.47894 TIMING: 1270800 CPU: 4085.41, 0.00316594/step Wall: 4085.41, 0.00316594/step, 3.27957 hours remaining, 233.472656 MB of memory in use. ENERGY: 1270800 3981.6626 20612.5008 14441.8085 251.6772 -203737.8310 2620.2764 0.0000 0.0000 52086.5965 -109743.3090 299.3424 -161829.9055 -109380.5983 298.9319 125.9850 158.8226 756823.7549 2.2242 2.1187 PRESSURE: 1271000 30.2042 -146.116 -271.946 -146.116 -343.972 -89.7599 -271.946 -89.7599 -711.196 GPRESSURE: 1271000 34.5808 -163.843 -332.775 -24.1494 -311.284 -92.2335 -135.181 -43.334 -670.001 PRESSAVG: 1271000 22.945 -10.9989 -54.4029 -10.9988 -20.6327 -43.5277 -54.4029 -43.5276 16.3576 GPRESSAVG: 1271000 21.8721 -12.7822 -55.6166 -10.9201 -20.0748 -42.6567 -53.5853 -41.6198 17.015 TIMING: 1271000 CPU: 4086.04, 0.0031527/step Wall: 4086.04, 0.0031527/step, 3.26567 hours remaining, 233.472656 MB of memory in use. ENERGY: 1271000 4006.4738 20761.7820 14498.2809 242.6491 -203221.3954 2276.0082 0.0000 0.0000 51735.9196 -109700.2819 297.3270 -161436.2016 -109335.8223 299.0434 -341.6546 -315.5682 758528.0770 6.2233 6.2708 PRESSURE: 1271200 -264.775 -146.899 126.777 -146.898 -344.501 -158.801 126.776 -158.802 -483.175 GPRESSURE: 1271200 -305.669 -197.288 132.176 -38.3775 -306.082 -172.779 -31.3838 -126.443 -401.902 PRESSAVG: 1271200 55.3896 -20.4691 -7.64389 -20.469 -66.1273 -1.746 -7.6439 -1.74605 -7.26934 GPRESSAVG: 1271200 55.9873 -17.2974 -6.43273 -21.82 -65.7239 -0.0100355 -7.71055 -4.06002 -7.89343 TIMING: 1271200 CPU: 4086.67, 0.00316263/step Wall: 4086.67, 0.00316263/step, 3.27579 hours remaining, 233.472656 MB of memory in use. ENERGY: 1271200 4047.3880 20741.9545 14431.5678 244.6469 -203218.4191 2212.4751 0.0000 0.0000 51858.5261 -109681.8608 298.0317 -161540.3869 -109321.3220 298.7666 -364.1502 -337.8845 761433.9487 -6.0024 -5.8767 PRESSURE: 1271400 34.3663 120.868 -57.0368 120.869 -131.663 61.8026 -57.0368 61.804 94.5674 GPRESSURE: 1271400 94.461 8.18831 -146.073 55.7218 -77.4393 52.0803 -58.4968 -29.4176 70.531 PRESSAVG: 1271400 40.3169 15.533 1.50427 15.533 -61.3657 36.7552 1.50423 36.7552 2.01078 GPRESSAVG: 1271400 40.7649 11.593 0.29404 16.4553 -62.8782 34.2273 0.567369 40.1173 2.58091 TIMING: 1271400 CPU: 4087.3, 0.00315653/step Wall: 4087.3, 0.00315653/step, 3.26929 hours remaining, 233.472656 MB of memory in use. ENERGY: 1271400 4024.1538 20533.8584 14426.9062 242.6412 -203605.4109 2541.6979 0.0000 0.0000 52139.9154 -109696.2380 299.6488 -161836.1534 -109324.8886 299.3407 -0.9099 29.1842 758463.5373 -6.3460 -6.5108 PRESSURE: 1271600 -267.101 -109.792 -96.2558 -109.792 -296.793 -288.833 -96.2548 -288.832 520.186 GPRESSURE: 1271600 -203.889 -111.113 -87.9145 -71.6835 -202.72 -335.83 -26.6823 -235.439 461.669 PRESSAVG: 1271600 0.321995 -18.1066 64.2571 -18.1066 -12.9994 -25.4337 64.257 -25.4338 -7.77945 GPRESSAVG: 1271600 1.09118 -16.2896 66.5471 -18.3423 -12.525 -23.3344 65.035 -29.7497 -8.75194 TIMING: 1271600 CPU: 4087.93, 0.00313146/step Wall: 4087.93, 0.00313146/step, 3.24315 hours remaining, 233.472656 MB of memory in use. ENERGY: 1271600 4027.5677 20751.4743 14460.5554 235.5926 -203333.4013 2430.9893 0.0000 0.0000 51825.1206 -109602.1015 297.8397 -161427.2221 -109242.7332 299.1506 -14.5694 18.3534 759850.9120 -6.8189 -6.7286 PRESSURE: 1271800 151.487 171.303 262.02 171.304 450.66 -173.321 262.02 -173.32 -401.266 GPRESSURE: 1271800 119.273 57.4857 266.876 83.8445 484.201 -232.378 252.384 -169.878 -315.456 PRESSAVG: 1271800 8.96507 -29.8238 30.5894 -29.8238 31.1487 -17.8248 30.5894 -17.8248 -3.07365 GPRESSAVG: 1271800 7.65875 -29.0381 30.0647 -32.5139 32.4296 -18.6525 30.3562 -16.6429 -2.53638 TIMING: 1271800 CPU: 4088.56, 0.00313729/step Wall: 4088.56, 0.00313729/step, 3.24901 hours remaining, 233.472656 MB of memory in use. ENERGY: 1271800 3970.2969 20564.5310 14507.5391 260.8593 -203855.8641 2814.1880 0.0000 0.0000 52186.2076 -109552.2424 299.9149 -161738.4499 -109188.6788 299.9282 66.9604 96.0060 759600.6289 12.3467 12.5173 PRESSURE: 1272000 -306.628 60.3775 87.4352 60.3769 -134.057 13.757 87.4355 13.7565 -145.208 GPRESSURE: 1272000 -200.224 42.3068 113.684 -83.7902 -166.561 -120.008 43.3313 23.8696 -148.543 PRESSAVG: 1272000 -12.7065 -8.12331 -11.5089 -8.12329 14.1262 -10.795 -11.5089 -10.795 21.0683 GPRESSAVG: 1272000 -11.3438 -9.88379 -13.1244 -5.47939 11.7365 -10.6693 -10.4236 -10.1044 21.8835 TIMING: 1272000 CPU: 4089.19, 0.00316216/step Wall: 4089.19, 0.00316216/step, 3.27459 hours remaining, 233.472656 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: 1272000 4030.9498 20746.7261 14538.6732 244.7991 -203534.1577 2386.2276 0.0000 0.0000 52206.5297 -109380.2522 300.0316 -161586.7819 -109023.0300 299.9145 -195.2976 -171.7761 760964.9265 7.4960 7.4254 PRESSURE: 1272200 153.76 -44.3782 -30.405 -44.3784 -252.45 -84.3582 -30.4057 -84.3576 -461.144 GPRESSURE: 1272200 123.506 -10.7274 -70.4582 -43.8937 -178.438 -14.2771 -59.4288 -36.81 -404.16 PRESSAVG: 1272200 -4.73331 5.78747 -7.50057 5.7875 -31.534 31.7964 -7.50062 31.7963 11.7525 GPRESSAVG: 1272200 -4.87544 7.85594 -6.19967 4.16407 -30.7785 32.0448 -8.63454 31.1434 10.8505 TIMING: 1272200 CPU: 4089.82, 0.00314726/step Wall: 4089.82, 0.00314726/step, 3.25899 hours remaining, 233.472656 MB of memory in use. ENERGY: 1272200 4006.1764 20548.1768 14458.5497 256.8738 -203067.2960 2370.7960 0.0000 0.0000 52048.5036 -109378.2197 299.1235 -161426.7234 -109016.3087 300.1062 -186.6111 -153.0308 762025.4708 -8.1716 -8.2678 LDB: ============= START OF LOAD BALANCING ============== 4102.24 LDB: ============== END OF LOAD BALANCING =============== 4102.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4102.24 LDB: ============= START OF LOAD BALANCING ============== 4102.56 LDB: Largest compute 7078 load 0.037977 is 19.5% of average load 0.195178 LDB: Average compute 0.004392 is 2.3% of average load 0.195178 LDB: TIME 4102.56 LOAD: AVG 0.195178 MAX 0.213634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.879 MB LDB: TIME 4102.56 LOAD: AVG 0.195178 MAX 0.213634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.922 MB LDB: TIME 4102.56 LOAD: AVG 0.195178 MAX 0.213634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.922 MB LDB: ============== END OF LOAD BALANCING =============== 4102.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4102.57 PRESSURE: 1272400 -133.035 -156.128 -77.3959 -156.128 43.8845 -63.5719 -77.396 -63.5721 310.855 GPRESSURE: 1272400 35.339 -93.9663 -50.3056 -134.106 -53.1365 -126.681 -143.853 -178.81 317.588 PRESSAVG: 1272400 36.5375 15.6877 5.63978 15.6877 -24.9575 -38.9967 5.63989 -38.9967 16.773 GPRESSAVG: 1272400 36.9509 16.358 6.03934 16.0079 -25.2132 -40.1863 5.45256 -38.1324 16.1974 TIMING: 1272400 CPU: 4090.47, 0.0032287/step Wall: 4090.47, 0.0032287/step, 3.34314 hours remaining, 232.164062 MB of memory in use. ENERGY: 1272400 4053.5409 20609.7251 14412.5437 234.3597 -203327.3201 2469.8199 0.0000 0.0000 52197.3910 -109349.9397 299.9791 -161547.3308 -108990.8268 299.8568 73.9015 99.9301 760714.3532 9.4510 9.3117 PRESSURE: 1272600 -14.6609 165.16 -195.094 165.16 -89.5742 -53.3217 -195.094 -53.3223 -144.323 GPRESSURE: 1272600 1.82127 239.876 -132.373 204.506 12.6194 -16.2799 -153.44 -7.21731 -170.705 PRESSAVG: 1272600 30.987 29.5372 -18.5878 29.5372 -10.6359 -4.22756 -18.5878 -4.2276 7.65024 GPRESSAVG: 1272600 31.1981 27.9584 -18.9895 28.8771 -11.269 -4.57617 -18.4451 -3.16047 7.99056 TIMING: 1272600 CPU: 4091.1, 0.00315226/step Wall: 4091.1, 0.00315226/step, 3.26382 hours remaining, 232.367188 MB of memory in use. ENERGY: 1272600 4063.7985 20450.1544 14519.2714 239.2717 -202942.0043 2178.8245 0.0000 0.0000 52280.1858 -109210.4980 300.4549 -161490.6838 -108839.1274 299.6651 -82.8529 -52.0880 760777.9670 9.3338 9.3065 PRESSURE: 1272800 -296.993 21.7601 216.81 21.7596 -182.529 83.4344 216.81 83.4336 -496.503 GPRESSURE: 1272800 -268.104 -73.5824 179.017 50.4445 -101.239 116.273 219.63 204.05 -494.063 PRESSAVG: 1272800 30.6858 -21.3451 3.84257 -21.3451 -53.9317 6.69905 3.84262 6.69906 13.7329 GPRESSAVG: 1272800 29.8272 -20.4941 3.81612 -20.324 -52.8738 7.41448 4.0275 5.47178 14.3953 TIMING: 1272800 CPU: 4091.73, 0.00315513/step Wall: 4091.73, 0.00315513/step, 3.26661 hours remaining, 232.367188 MB of memory in use. ENERGY: 1272800 3979.4049 20538.3500 14511.7601 245.2284 -203347.6472 2407.0707 0.0000 0.0000 52405.8655 -109259.9676 301.1772 -161665.8331 -108896.6152 300.0854 -325.3416 -287.8021 760835.9169 -3.1710 -2.8838 PRESSURE: 1273000 79.3741 -8.19834 66.7069 -8.19751 -111.265 -49.0562 66.7069 -49.0558 -59.3953 GPRESSURE: 1273000 148.285 -114.045 94.1204 -70.6203 -98.7957 -178.853 -92.9894 -79.8107 -56.4003 PRESSAVG: 1273000 -5.70164 -7.64384 17.4569 -7.64388 22.9987 -29.8804 17.4568 -29.8802 5.687 GPRESSAVG: 1273000 -5.31865 -7.88542 16.6708 -8.46515 23.2601 -29.7506 16.8426 -30.7608 5.15372 TIMING: 1273000 CPU: 4092.36, 0.00315603/step Wall: 4092.36, 0.00315603/step, 3.26737 hours remaining, 232.367188 MB of memory in use. ENERGY: 1273000 3943.4982 20619.8366 14454.7637 250.3213 -203260.5794 2426.7532 0.0000 0.0000 52369.7396 -109195.6668 300.9696 -161565.4064 -108832.9823 300.2355 -30.4287 -2.3036 759663.3661 7.6613 7.6984 PRESSURE: 1273200 24.478 -54.3399 -82.5564 -54.3392 6.5438 28.75 -82.557 28.7504 436.873 GPRESSURE: 1273200 62.797 13.7771 -30.434 40.4393 43.2849 70.8954 -71.3105 12.164 456.023 PRESSAVG: 1273200 -12.6664 -46.2298 31.9215 -46.2298 18.5487 -81.9865 31.9216 -81.9865 -12.3646 GPRESSAVG: 1273200 -12.3423 -47.0108 32.3885 -43.9242 17.9319 -81.7584 33.4321 -79.1905 -11.945 TIMING: 1273200 CPU: 4092.99, 0.00315287/step Wall: 4092.99, 0.00315287/step, 3.26392 hours remaining, 232.367188 MB of memory in use. ENERGY: 1273200 3953.8004 20518.9668 14407.3163 251.3733 -202934.4401 2323.9088 0.0000 0.0000 52139.8187 -109339.2557 299.6483 -161479.0744 -108965.7333 300.1202 155.9649 187.3683 761012.3549 -2.1608 -2.1185 PRESSURE: 1273400 23.2234 -6.69939 -87.8456 -6.69959 100.105 234.726 -87.8453 234.726 -533.595 GPRESSURE: 1273400 34.6429 199.899 -146.336 -113.589 172.321 161.693 -103.484 278.484 -534.619 PRESSAVG: 1273400 3.82617 34.8694 -9.00259 34.8694 17.618 2.19291 -9.00255 2.19285 18.5975 GPRESSAVG: 1273400 3.0115 36.421 -8.07317 33.7641 17.9475 2.41072 -10.4186 1.39743 18.4348 TIMING: 1273400 CPU: 4093.62, 0.0031601/step Wall: 4093.62, 0.0031601/step, 3.27123 hours remaining, 232.367188 MB of memory in use. ENERGY: 1273400 3958.0515 20577.6098 14421.8481 250.6332 -203162.3967 2242.6510 0.0000 0.0000 52374.6196 -109336.9836 300.9977 -161711.6031 -108968.1255 300.1601 -136.7555 -109.2183 761066.0033 13.3472 13.1313 PRESSURE: 1273600 15.9324 -2.60835 -80.561 -2.60711 317.036 178.731 -80.5604 178.731 87.5375 GPRESSURE: 1273600 73.6425 -100.849 -111.911 -52.1944 368.886 149.057 -105.522 76.265 45.6435 PRESSAVG: 1273600 -2.07499 -32.3389 -18.7064 -32.3389 -34.6962 36.3882 -18.7063 36.3881 -40.8516 GPRESSAVG: 1273600 -1.49052 -34.9815 -19.3066 -31.2243 -36.0907 37.4238 -16.545 34.997 -40.5682 TIMING: 1273600 CPU: 4094.26, 0.00316881/step Wall: 4094.26, 0.00316881/step, 3.28007 hours remaining, 232.367188 MB of memory in use. ENERGY: 1273600 3929.9653 20629.1127 14444.6286 254.3629 -203331.8990 2342.6527 0.0000 0.0000 52266.8596 -109464.3172 300.3784 -161731.1768 -109098.6477 299.8349 140.1687 162.7240 760406.5934 -25.8743 -26.0498 PRESSURE: 1273800 257.072 30.2058 -99.9571 30.2054 -132.007 -82.6812 -99.9573 -82.6809 -149.13 GPRESSURE: 1273800 346.628 52.3945 -103.431 -12.6065 -123.82 -148.279 56.9502 -112.795 -146.182 PRESSAVG: 1273800 -4.55087 -47.8458 -54.5992 -47.8458 -13.433 37.9641 -54.5992 37.9641 -23.1307 GPRESSAVG: 1273800 -5.74142 -46.1455 -54.9369 -48.9519 -11.8356 37.0032 -56.5858 39.866 -22.8861 TIMING: 1273800 CPU: 4094.89, 0.00316977/step Wall: 4094.89, 0.00316977/step, 3.28089 hours remaining, 232.367188 MB of memory in use. ENERGY: 1273800 3974.0824 20549.5634 14506.9461 243.4106 -203765.6656 2510.4480 0.0000 0.0000 52382.0752 -109599.1399 301.0405 -161981.2151 -109232.4008 300.1681 -8.0216 25.5420 758280.8436 -13.7049 -13.4877 PRESSURE: 1274000 -361.445 -0.0299337 -124.028 -0.0303592 -131.979 -39.4946 -124.028 -39.4942 -447.519 GPRESSURE: 1274000 -245.816 62.3742 -81.8673 -64.9261 -203.508 24.5426 -143.645 -47.2835 -397.341 PRESSAVG: 1274000 47.1707 -16.8914 -21.5258 -16.8915 -18.5479 8.93929 -21.5258 8.93929 11.9616 GPRESSAVG: 1274000 49.5166 -15.6597 -20.1862 -17.7315 -19.642 10.6313 -21.6383 9.18211 11.7778 TIMING: 1274000 CPU: 4095.52, 0.00315896/step Wall: 4095.52, 0.00315896/step, 3.26953 hours remaining, 232.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1274000 4054.6518 20585.7601 14479.8657 243.0185 -203467.7549 2281.5308 0.0000 0.0000 52098.7147 -109724.2132 299.4120 -161822.9279 -109368.3461 300.1047 -313.6477 -282.2217 760637.0386 13.5282 13.8841 PRESSURE: 1274200 -96.6106 250.726 47.0264 250.726 -289.344 115.459 47.0261 115.459 464.781 GPRESSURE: 1274200 -81.353 195.719 25.5007 217.42 -191.671 209.219 -55.0273 74.4867 447.746 PRESSAVG: 1274200 52.8808 9.53654 -9.83838 9.53655 -22.6978 18.1471 -9.83835 18.1471 -14.4011 GPRESSAVG: 1274200 52.0617 9.39422 -11.7297 9.15639 -22.0465 17.0064 -8.10439 17.1283 -14.2957 TIMING: 1274200 CPU: 4096.16, 0.00317981/step Wall: 4096.16, 0.00317981/step, 3.29093 hours remaining, 232.367188 MB of memory in use. ENERGY: 1274200 4049.8389 20571.6838 14432.4406 239.6865 -203534.1094 2623.5832 0.0000 0.0000 51982.1016 -109634.7749 298.7419 -161616.8765 -109287.9415 299.3025 26.2753 58.2405 759029.7705 5.2606 5.2398 PRESSURE: 1274400 233.381 -25.514 352.999 -25.5149 427.477 391.724 353 391.724 130.603 GPRESSURE: 1274400 320.139 -4.26868 352.971 5.86471 404.314 393.915 264.513 387.366 159.888 PRESSAVG: 1274400 35.4346 -11.1228 45.7271 -11.1228 -54.9068 50.7995 45.7271 50.7995 -0.642226 GPRESSAVG: 1274400 35.5387 -13.2933 48.1737 -9.31323 -55.9325 52.2627 41.1822 51.04 0.196136 TIMING: 1274400 CPU: 4096.79, 0.00316176/step Wall: 4096.79, 0.00316176/step, 3.27207 hours remaining, 232.367188 MB of memory in use. ENERGY: 1274400 4100.5598 20659.3406 14460.3077 245.0477 -203833.8636 2625.3782 0.0000 0.0000 52208.6438 -109534.5857 300.0438 -161743.2295 -109188.1263 299.7428 263.8205 294.7805 758025.0827 -6.7048 -6.7326 PRESSURE: 1274600 -72.2651 34.6585 -118.251 34.6585 168.017 -36.3504 -118.251 -36.35 -47.6629 GPRESSURE: 1274600 72.9996 125.275 -64.9206 -1.95753 135.291 -93.489 -93.7788 105.121 -62.6592 PRESSAVG: 1274600 34.7382 -53.8837 18.366 -53.8837 -11.4284 39.9025 18.366 39.9025 -15.0246 GPRESSAVG: 1274600 35.2033 -51.9804 17.3488 -54.7815 -11.1778 37.7019 20.4994 39.6201 -16.0734 TIMING: 1274600 CPU: 4097.42, 0.00315448/step Wall: 4097.42, 0.00315448/step, 3.26436 hours remaining, 232.367188 MB of memory in use. ENERGY: 1274600 4084.1218 20661.6207 14513.7748 228.9056 -203507.6178 2294.3184 0.0000 0.0000 52254.3084 -109470.5681 300.3062 -161724.8765 -109115.1215 299.8632 16.0297 48.5439 758995.6295 2.7618 2.6507 PRESSURE: 1274800 -31.7818 -17.5605 24.713 -17.561 -48.9844 33.1482 24.7133 33.1481 -20.2718 GPRESSURE: 1274800 38.439 -63.0645 93.1304 8.82311 -31.0562 21.7447 27.625 9.23159 -57.7286 PRESSAVG: 1274800 -59.0256 0.350689 -7.79406 0.350644 23.112 -5.51698 -7.7941 -5.51704 11.2268 GPRESSAVG: 1274800 -59.1013 0.191324 -6.59788 1.55389 23.3189 -4.21735 -5.53787 -6.01141 11.4137 TIMING: 1274800 CPU: 4098.05, 0.00313801/step Wall: 4098.05, 0.00313801/step, 3.24715 hours remaining, 232.367188 MB of memory in use. ENERGY: 1274800 4060.8365 20649.7365 14470.6434 240.4655 -203059.4077 2007.0169 0.0000 0.0000 52130.2696 -109500.4393 299.5934 -161630.7089 -109125.3295 299.7241 -33.6793 -16.7819 760301.4550 -8.2289 -8.1229 PRESSURE: 1275000 146.366 -163.902 113.781 -163.902 278.912 291.593 113.782 291.593 189.019 GPRESSURE: 1275000 96.6941 -185.868 50.0657 -33.395 386.494 325.199 135.769 259.81 208.179 PRESSAVG: 1275000 -77.3959 28.9151 48.3174 28.9151 55.2748 37.1724 48.3174 37.1723 -21.7006 GPRESSAVG: 1275000 -77.8912 27.6084 45.5598 28.5514 55.4629 36.9713 46.6413 35.9945 -21.2024 TIMING: 1275000 CPU: 4098.68, 0.00315219/step Wall: 4098.68, 0.00315219/step, 3.26164 hours remaining, 232.367188 MB of memory in use. ENERGY: 1275000 4075.2400 20734.1209 14536.1749 225.3954 -203795.7690 2411.6145 0.0000 0.0000 52285.0425 -109528.1809 300.4829 -161813.2234 -109168.7504 300.1610 204.7654 230.4557 758256.9450 -14.6072 -14.5436 PRESSURE: 1275200 131.917 144.077 56.279 144.078 268.269 -150.139 56.2793 -150.139 143.83 GPRESSURE: 1275200 228.13 170.879 66.3299 84.5955 269.481 -59.3184 27.2496 -160.086 129.42 PRESSAVG: 1275200 -18.5749 14.9121 -18.3194 14.9121 46.2494 -9.52798 -18.3195 -9.52801 14.6332 GPRESSAVG: 1275200 -17.6641 15.8359 -18.2648 13.762 47.0734 -8.79365 -17.4756 -8.74185 13.0274 TIMING: 1275200 CPU: 4099.31, 0.00314875/step Wall: 4099.31, 0.00314875/step, 3.2579 hours remaining, 232.367188 MB of memory in use. ENERGY: 1275200 4015.1463 20602.5900 14533.2148 247.8248 -203743.0976 2656.1157 0.0000 0.0000 52166.7076 -109521.4984 299.8028 -161688.2060 -109162.8764 300.1038 181.3390 209.0105 758340.5763 14.1026 14.1456 PRESSURE: 1275400 -101.015 93.7346 188.497 93.734 -192.507 369.077 188.498 369.077 -254.199 GPRESSURE: 1275400 -100.127 110.562 161.571 99.9422 -84.7766 295.057 247.932 309.926 -251.113 PRESSAVG: 1275400 60.5553 -12.9587 -27.3272 -12.9587 -39.067 27.9759 -27.3272 27.976 11.7023 GPRESSAVG: 1275400 61.092 -11.6618 -25.28 -15.1289 -40.6304 27.6636 -30.3737 27.1317 13.2435 TIMING: 1275400 CPU: 4099.94, 0.00314059/step Wall: 4099.94, 0.00314059/step, 3.24929 hours remaining, 232.367188 MB of memory in use. ENERGY: 1275400 4050.6786 20703.5186 14509.0544 246.3519 -203239.2630 2294.3912 0.0000 0.0000 52013.2174 -109422.0510 298.9207 -161435.2683 -109061.5621 299.6869 -182.5737 -145.3387 759531.4624 11.0635 11.2350 PRESSURE: 1275600 -60.9749 43.0787 -42.362 43.0784 -37.2601 55.3245 -42.3623 55.3248 157.958 GPRESSURE: 1275600 -41.5184 -16.1676 -87.2748 41.464 59.4257 39.0703 49.2447 75.8853 128.001 PRESSAVG: 1275600 -6.81995 -33.5943 52.9257 -33.5943 33.8849 35.982 52.9257 35.9821 -16.0941 GPRESSAVG: 1275600 -7.34897 -34.7374 50.013 -28.5082 34.5946 35.0514 56.3387 37.5337 -16.0243 TIMING: 1275600 CPU: 4100.57, 0.00317079/step Wall: 4100.57, 0.00317079/step, 3.28036 hours remaining, 232.367188 MB of memory in use. ENERGY: 1275600 4015.7506 20533.3187 14546.5947 240.3800 -203349.5038 2586.3133 0.0000 0.0000 52181.0889 -109246.0575 299.8854 -161427.1464 -108875.0031 300.0991 19.9076 48.6362 759972.2102 3.6569 3.7404 PRESSURE: 1275800 207.848 -3.70662 254.174 -3.70683 -79.7739 -82.5821 254.174 -82.5825 205.128 GPRESSURE: 1275800 278.361 -27.1201 253.964 -44.984 -100.883 -95.7848 102.952 -109.877 223.989 PRESSAVG: 1275800 44.0717 -17.5972 15.1335 -17.5972 -44.0755 -17.9749 15.1335 -17.9748 -20.6698 GPRESSAVG: 1275800 43.0433 -21.4844 16.1171 -18.6692 -45.173 -18.6252 11.8135 -18.0769 -19.0022 TIMING: 1275800 CPU: 4101.2, 0.00314147/step Wall: 4101.2, 0.00314147/step, 3.24986 hours remaining, 232.367188 MB of memory in use. ENERGY: 1275800 3992.5973 20688.0006 14509.4390 251.7775 -203587.0178 2635.0340 0.0000 0.0000 52169.9759 -109340.1935 299.8216 -161510.1694 -108979.6057 300.4402 111.0675 133.8225 759004.8305 -6.8912 -7.0440 PRESSURE: 1276000 -33.0913 -114.114 241.928 -114.113 -206.602 23.778 241.929 23.778 40.6985 GPRESSURE: 1276000 -21.2079 -36.3012 195.415 -89.2255 -193.644 -98.8442 145.151 -0.599833 99.7039 PRESSAVG: 1276000 85.7656 -56.3539 39.4619 -56.3539 -21.8781 7.18738 39.4619 7.1874 0.520092 GPRESSAVG: 1276000 85.4549 -52.8043 39.5541 -57.0523 -20.6075 7.73658 42.419 6.59742 -0.309201 TIMING: 1276000 CPU: 4101.83, 0.00314364/step Wall: 4101.83, 0.00314364/step, 3.25192 hours remaining, 232.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1276000 3942.8588 20596.3919 14523.4450 239.1355 -202757.4855 2042.1812 0.0000 0.0000 52181.0935 -109232.3795 299.8855 -161413.4730 -108867.4200 300.5690 -66.3317 -38.3828 761436.9751 21.4692 21.5128 PRESSURE: 1276200 118.305 1.50348 -31.2353 1.50323 97.0335 258.677 -31.2351 258.677 -248.21 GPRESSURE: 1276200 75.8681 -67.9223 -2.09096 -2.93553 104.44 335.586 3.74931 265.66 -125.025 PRESSAVG: 1276200 -4.94691 -9.91905 20.559 -9.91906 -38.6218 -13.6858 20.559 -13.6858 -4.60438 GPRESSAVG: 1276200 -4.09624 -9.32406 21.4207 -11.6329 -37.9084 -12.4904 21.5813 -14.0806 -5.69335 TIMING: 1276200 CPU: 4102.45, 0.00312997/step Wall: 4102.45, 0.00312997/step, 3.2376 hours remaining, 232.367188 MB of memory in use. ENERGY: 1276200 4011.6151 20577.4260 14531.8203 251.9608 -203331.4506 2643.1078 0.0000 0.0000 52242.2290 -109073.2916 300.2368 -161315.5206 -108714.6729 300.1924 -10.9572 18.4276 760614.0171 -16.0577 -15.8993 LDB: ============= START OF LOAD BALANCING ============== 4114.88 LDB: ============== END OF LOAD BALANCING =============== 4114.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4114.88 LDB: ============= START OF LOAD BALANCING ============== 4115.19 LDB: Largest compute 7078 load 0.035560 is 18.2% of average load 0.195292 LDB: Average compute 0.004384 is 2.2% of average load 0.195292 LDB: TIME 4115.2 LOAD: AVG 0.195292 MAX 0.211742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 4115.2 LOAD: AVG 0.195292 MAX 0.211742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.547 MB LDB: TIME 4115.2 LOAD: AVG 0.195292 MAX 0.211742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.547 MB LDB: ============== END OF LOAD BALANCING =============== 4115.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4115.21 PRESSURE: 1276400 -264.787 155.976 35.7939 155.976 -129.585 44.9194 35.794 44.9188 232.742 GPRESSURE: 1276400 -188.922 23.1087 43.956 177.998 -65.3451 64.2772 51.7602 81.5354 162.114 PRESSAVG: 1276400 -13.5343 -4.42627 25.8947 -4.42623 4.94281 -11.4778 25.8947 -11.4779 -5.74391 GPRESSAVG: 1276400 -13.4088 -6.05534 26.6014 -3.61291 4.38773 -12.9884 24.0585 -11.8456 -4.98849 TIMING: 1276400 CPU: 4103.1, 0.00323152/step Wall: 4103.1, 0.00323152/step, 3.34247 hours remaining, 230.875000 MB of memory in use. ENERGY: 1276400 3978.9349 20683.3671 14447.9355 252.8558 -202840.2817 2162.7596 0.0000 0.0000 52363.2129 -108951.2159 300.9321 -161314.4288 -108594.4693 300.8743 -53.8766 -30.7178 759208.4023 -4.7785 -4.6698 PRESSURE: 1276600 273.563 80.6623 311.248 80.6627 561.196 50.4021 311.249 50.4021 310.911 GPRESSURE: 1276600 299.376 -25.6713 338.586 21.3929 516.734 20.4317 221.195 -71.481 413.748 PRESSAVG: 1276600 20.2593 0.717828 41.0093 0.717933 -33.0845 -52.2812 41.0094 -52.2813 9.98239 GPRESSAVG: 1276600 18.8228 0.679315 39.7349 4.1729 -30.7715 -51.0997 38.424 -52.2107 9.29898 TIMING: 1276600 CPU: 4103.73, 0.00314215/step Wall: 4103.73, 0.00314215/step, 3.24986 hours remaining, 230.875000 MB of memory in use. ENERGY: 1276600 3903.4028 20449.5688 14473.9978 229.5603 -203220.0201 2448.9231 0.0000 0.0000 52630.5539 -109084.0133 302.4685 -161714.5673 -108704.8639 300.9798 381.8899 409.9523 757894.9762 -0.9476 -0.8833 PRESSURE: 1276800 -168.032 -167.541 53.9619 -167.54 -91.7763 -106.849 53.9622 -106.849 -243.695 GPRESSURE: 1276800 -11.8188 -126.579 13.1688 -109.531 -84.1854 -205.904 -27.6732 49.1117 -331.2 PRESSAVG: 1276800 46.7113 12.428 -0.630065 12.4281 -19.3623 24.4449 -0.629979 24.445 21.6856 GPRESSAVG: 1276800 49.4542 12.7754 -2.22537 9.08936 -21.6216 22.7585 2.22131 26.1623 21.018 TIMING: 1276800 CPU: 4104.36, 0.00315545/step Wall: 4104.36, 0.00315545/step, 3.26344 hours remaining, 230.875000 MB of memory in use. ENERGY: 1276800 4030.7516 20608.6491 14456.6501 259.7877 -202848.9156 2216.2112 0.0000 0.0000 52263.4250 -109013.4408 300.3586 -161276.8659 -108654.2836 300.6236 -167.8346 -142.4015 762929.2679 16.3449 16.2835 PRESSURE: 1277000 -102.535 -187.722 -37.1033 -187.722 -177.753 276.7 -37.1039 276.701 -120.271 GPRESSURE: 1277000 12.9498 -164.631 -28.3096 -170.285 -210.689 279.127 -155.562 151.862 -129.379 PRESSAVG: 1277000 15.2398 -37.969 3.31269 -37.969 -26.9587 81.6729 3.31269 81.673 -13.9354 GPRESSAVG: 1277000 15.1392 -36.3222 4.63811 -38.7805 -27.4294 82.8897 2.61421 79.4291 -13.4479 TIMING: 1277000 CPU: 4104.99, 0.00313711/step Wall: 4104.99, 0.00313711/step, 3.2443 hours remaining, 230.875000 MB of memory in use. ENERGY: 1277000 3986.7544 20511.8674 14491.5258 241.0560 -203170.3348 2384.6381 0.0000 0.0000 52331.7037 -109222.7893 300.7510 -161554.4931 -108855.0858 300.4222 -133.5198 -109.0393 761459.1320 -8.5515 -8.5794 PRESSURE: 1277200 -499.098 -81.4714 1.44099 -81.4714 91.4814 69.1791 1.44207 69.1793 230.179 GPRESSURE: 1277200 -482.945 -103.6 47.7492 -62.3816 185.721 78.3821 -85.5262 -50.4555 211.248 PRESSAVG: 1277200 -30.0096 -19.0272 -31.7944 -19.0272 34.9937 46.6228 -31.7944 46.6228 -3.28978 GPRESSAVG: 1277200 -31.3703 -21.2793 -31.1124 -18.2977 35.6113 46.7928 -33.1008 46.4979 -2.88215 TIMING: 1277200 CPU: 4105.61, 0.0031251/step Wall: 4105.61, 0.0031251/step, 3.2317 hours remaining, 230.875000 MB of memory in use. ENERGY: 1277200 3896.9817 20509.8781 14422.9173 233.3675 -203001.0139 2490.0282 0.0000 0.0000 52138.3113 -109309.5299 299.6396 -161447.8412 -108945.5657 299.5170 -59.1458 -28.6589 762070.8653 0.5648 0.4529 PRESSURE: 1277400 85.6716 106.079 -39.4201 106.079 170.357 146.687 -39.4197 146.688 436.558 GPRESSURE: 1277400 102.957 59.973 -10.7831 -24.0613 160.417 170.724 36.9105 150.867 503.952 PRESSAVG: 1277400 -0.836597 -24.0775 -12.6874 -24.0775 7.55919 21.769 -12.6874 21.769 -5.07304 GPRESSAVG: 1277400 0.0902564 -22.9411 -12.5142 -24.4393 6.33711 21.4727 -11.0494 22.1557 -4.73529 TIMING: 1277400 CPU: 4106.24, 0.00312158/step Wall: 4106.24, 0.00312158/step, 3.22789 hours remaining, 230.875000 MB of memory in use. ENERGY: 1277400 4010.5798 20470.3682 14506.3142 235.2349 -203275.6382 2626.2428 0.0000 0.0000 52245.7724 -109181.1259 300.2572 -161426.8983 -108809.5309 299.6906 230.8623 255.7754 761504.3512 0.5498 0.5640 PRESSURE: 1277600 -669.712 -135.093 79.2245 -135.094 -57.4832 108.043 79.2252 108.043 -147.284 GPRESSURE: 1277600 -608.133 -64.0821 27.1727 -95.987 -51.1114 130.096 52.7205 172.51 -125.442 PRESSAVG: 1277600 -26.012 -41.2817 13.4542 -41.2817 -0.112198 -28.7015 13.4542 -28.7015 11.9994 GPRESSAVG: 1277600 -25.5912 -41.0749 12.5835 -41.0345 -0.0102141 -28.4521 13.3206 -25.2467 11.5661 TIMING: 1277600 CPU: 4106.86, 0.00311539/step Wall: 4106.86, 0.00311539/step, 3.22132 hours remaining, 230.875000 MB of memory in use. ENERGY: 1277600 4024.1271 20550.5277 14501.2417 252.5544 -202527.7841 2078.3570 0.0000 0.0000 51972.5444 -109148.4319 298.6869 -161120.9762 -108797.1258 299.8736 -291.4933 -261.5621 761609.3319 -4.7083 -4.6784 PRESSURE: 1277800 -82.7114 33.5355 -79.6522 33.5348 -114.159 179.86 -79.6521 179.861 -244.007 GPRESSURE: 1277800 -98.2981 53.0934 -137.582 66.9838 -110.406 169.904 8.51648 175.605 -153.756 PRESSAVG: 1277800 -12.8499 23.841 17.5007 23.841 52.7483 21.8603 17.5007 21.8603 -3.72673 GPRESSAVG: 1277800 -13.8954 22.8135 17.7907 24.6366 54.3142 20.4222 16.8377 20.9895 -4.69389 TIMING: 1277800 CPU: 4107.49, 0.00314911/step Wall: 4107.49, 0.00314911/step, 3.25601 hours remaining, 230.875000 MB of memory in use. ENERGY: 1277800 4081.3079 20541.9260 14402.9469 236.2312 -203057.5118 2429.5586 0.0000 0.0000 52213.4292 -109152.1120 300.0713 -161365.5411 -108800.5587 299.8208 -146.9592 -120.8201 760850.1081 12.0572 11.9083 PRESSURE: 1278000 173.742 -144.699 63.8591 -144.7 -234.115 -32.105 63.8589 -32.1049 146.481 GPRESSURE: 1278000 230.912 -77.149 53.6306 -22.6225 -326.472 -0.452948 36.8553 55.5845 256.52 PRESSAVG: 1278000 5.99998 49.4365 -4.10659 49.4365 -4.80949 43.4971 -4.10665 43.4971 12.4346 GPRESSAVG: 1278000 6.01305 51.0822 -3.634 51.9842 -5.72034 44.4975 -7.65544 41.4376 13.4836 TIMING: 1278000 CPU: 4108.12, 0.00314522/step Wall: 4108.12, 0.00314522/step, 3.25181 hours remaining, 230.875000 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: 1278000 3944.4177 20604.8785 14473.0821 270.1586 -203426.6425 2525.7312 0.0000 0.0000 52264.2719 -109344.1026 300.3635 -161608.3745 -108970.5398 300.0516 28.7027 53.6530 759404.6153 4.5417 4.5921 PRESSURE: 1278200 -135.175 -86.3665 10.0742 -86.3665 -191.976 -96.3861 10.0746 -96.3856 -124.404 GPRESSURE: 1278200 -54.0635 -0.233777 87.5716 -83.6958 -175.85 -98.4345 84.05 -99.937 -145.191 PRESSAVG: 1278200 36.1723 34.8738 7.37355 34.8738 -22.0363 26.1976 7.3736 26.1976 -11.0519 GPRESSAVG: 1278200 35.9942 33.9861 6.41322 31.4685 -22.7621 23.8803 9.82712 25.5155 -10.8121 TIMING: 1278200 CPU: 4108.75, 0.00314485/step Wall: 4108.75, 0.00314485/step, 3.25125 hours remaining, 230.875000 MB of memory in use. ENERGY: 1278200 4061.4594 20473.2196 14492.4748 257.4432 -203083.5790 2186.1469 0.0000 0.0000 52309.7516 -109303.0836 300.6249 -161612.8352 -108943.3272 299.9276 -150.5183 -125.0348 760078.4533 1.0281 0.8067 PRESSURE: 1278400 227.598 -167.278 43.814 -167.279 -145.706 -112.154 43.8131 -112.154 37.1029 GPRESSURE: 1278400 296.46 -157.647 4.3582 -137.635 -107.99 -161.783 247.472 -195.758 13.3965 PRESSAVG: 1278400 30.6943 -18.5891 -9.94739 -18.5891 -71.9419 -7.5236 -9.94747 -7.52358 -13.0267 GPRESSAVG: 1278400 31.379 -18.999 -9.88765 -18.1725 -72.0155 -5.45746 -9.40253 -8.73297 -13.7406 TIMING: 1278400 CPU: 4109.38, 0.00315732/step Wall: 4109.38, 0.00315732/step, 3.26396 hours remaining, 230.875000 MB of memory in use. ENERGY: 1278400 3999.7500 20449.5476 14548.0744 257.6870 -203780.0219 2729.8677 0.0000 0.0000 52271.3872 -109523.7081 300.4044 -161795.0953 -109166.7002 299.7324 39.6650 67.2886 759963.3436 -18.0914 -18.1257 PRESSURE: 1278600 -110.4 23.2647 -56.453 23.2647 41.2167 -210.351 -56.4529 -210.353 -93.657 GPRESSURE: 1278600 -59.5413 76.4053 -4.79489 6.43072 62.0425 -99.2256 -106.385 -225.985 -71.4868 PRESSAVG: 1278600 45.2253 -17.5843 -23.7947 -17.5843 -41.0788 -27.331 -23.7946 -27.331 0.964936 GPRESSAVG: 1278600 44.3177 -15.827 -22.7246 -19.078 -41.3314 -27.3038 -23.7407 -25.8476 1.46164 TIMING: 1278600 CPU: 4110.01, 0.00316044/step Wall: 4110.01, 0.00316044/step, 3.26702 hours remaining, 230.875000 MB of memory in use. ENERGY: 1278600 3953.4610 20600.7540 14470.9234 253.2767 -203297.9429 2328.7863 0.0000 0.0000 51935.3689 -109755.3727 298.4733 -161690.7416 -109394.1164 299.9195 -54.2800 -22.9952 758620.5743 1.7038 1.4827 PRESSURE: 1278800 201.363 -1.17201 -71.5499 -1.17133 106.55 -148.737 -71.5497 -148.736 265.34 GPRESSURE: 1278800 244.927 -72.2211 -73.7879 37.8313 103.629 -217.226 -58.3524 -171.873 311.371 PRESSAVG: 1278800 26.1267 -60.6938 9.25551 -60.6938 -32.3347 -67.9287 9.25557 -67.9287 25.9522 GPRESSAVG: 1278800 25.5729 -61.5573 10.2937 -58.5571 -32.2942 -69.252 9.65949 -67.6417 26.5547 TIMING: 1278800 CPU: 4110.64, 0.00315671/step Wall: 4110.64, 0.00315671/step, 3.26298 hours remaining, 230.875000 MB of memory in use. ENERGY: 1278800 3911.8383 20415.0695 14433.0297 238.5796 -203594.4956 2634.2117 0.0000 0.0000 51911.6542 -110050.1127 298.3370 -161961.7669 -109689.5950 298.6484 191.0842 219.9758 759827.6965 6.5814 6.6111 PRESSURE: 1279000 -74.4819 -45.2421 116.454 -45.2418 -7.62586 -12.5005 116.454 -12.5001 518.387 GPRESSURE: 1279000 -45.9191 -14.0163 117.59 -5.35688 16.5061 10.3193 163.064 70.9308 523.444 PRESSAVG: 1279000 -2.01587 -14.0193 -33.8425 -14.0192 14.3412 -8.86345 -33.8425 -8.8635 -7.31476 GPRESSAVG: 1279000 -1.51806 -14.166 -35.6827 -14.2831 14.2121 -7.89047 -33.718 -10.4946 -8.06692 TIMING: 1279000 CPU: 4111.27, 0.0031414/step Wall: 4111.27, 0.00314141/step, 3.24699 hours remaining, 230.875000 MB of memory in use. ENERGY: 1279000 4038.4990 20604.0679 14468.5179 237.7580 -203736.4237 2713.3416 0.0000 0.0000 51790.6706 -109883.5687 297.6417 -161674.2393 -109527.3849 298.5632 145.4263 164.6770 758120.8755 1.6702 1.5424 PRESSURE: 1279200 106.951 -156.316 -237.871 -156.316 153.887 -107.44 -237.872 -107.442 -93.8643 GPRESSURE: 1279200 173.547 -135.237 -221.651 -103.406 138.653 -127.402 -279.131 -107.362 -41.9457 PRESSAVG: 1279200 21.1994 -58.5038 -15.9994 -58.5037 -31.805 -39.1563 -15.9994 -39.1564 -12.8668 GPRESSAVG: 1279200 20.8935 -58.4637 -17.3517 -58.2347 -31.5394 -39.8057 -16.7141 -38.9394 -12.1838 TIMING: 1279200 CPU: 4111.9, 0.00313859/step Wall: 4111.9, 0.00313859/step, 3.2439 hours remaining, 230.875000 MB of memory in use. ENERGY: 1279200 3987.1221 20393.3320 14453.3599 235.0202 -203364.4864 2582.6571 0.0000 0.0000 51937.9858 -109775.0094 298.4883 -161712.9952 -109415.7299 298.5594 55.6576 90.0848 759916.9796 -7.8241 -7.6099 PRESSURE: 1279400 168.217 -34.071 149.738 -34.0706 -24.2395 124.117 149.738 124.117 334.911 GPRESSURE: 1279400 149.362 -79.1897 83.0847 -60.0507 22.7363 57.179 84.0773 259.169 386.958 PRESSAVG: 1279400 -14.6605 -78.588 -50.9795 -78.588 18.8493 4.80648 -50.9795 4.80643 15.4608 GPRESSAVG: 1279400 -14.599 -79.0864 -49.8442 -79.7045 19.0073 4.33642 -49.4987 6.89852 15.3839 TIMING: 1279400 CPU: 4112.52, 0.00312144/step Wall: 4112.52, 0.00312144/step, 3.22601 hours remaining, 230.875000 MB of memory in use. ENERGY: 1279400 3955.1618 20490.4554 14374.3420 244.3326 -203371.8991 2668.1243 0.0000 0.0000 51600.6015 -110038.8815 296.5494 -161639.4831 -109682.3706 298.5546 159.6295 186.3523 759925.1340 6.5498 6.5974 PRESSURE: 1279600 233.619 -245.207 -75.8496 -245.206 15.5608 151.529 -75.8494 151.529 111.105 GPRESSURE: 1279600 162.958 -164.611 -26.9451 -187.149 82.7313 158.7 -17.9056 140.69 189.885 PRESSAVG: 1279600 73.8275 -22.2674 -23.3942 -22.2674 -47.5198 -18.6057 -23.3942 -18.6058 -1.92619 GPRESSAVG: 1279600 74.0532 -23.1046 -23.341 -21.7056 -47.2237 -18.8495 -23.8212 -17.8448 -2.43469 TIMING: 1279600 CPU: 4113.15, 0.00312577/step Wall: 4113.15, 0.00312577/step, 3.23031 hours remaining, 230.875000 MB of memory in use. ENERGY: 1279600 3991.0556 20342.0779 14432.8004 244.0539 -203248.2203 2353.1712 0.0000 0.0000 51831.9710 -110053.0904 297.8790 -161885.0614 -109687.4700 297.7399 120.0948 145.1915 760630.0886 8.1272 8.1316 PRESSURE: 1279800 160.137 83.6262 165.809 83.6266 269.434 -12.0735 165.808 -12.0739 227.859 GPRESSURE: 1279800 163.52 -1.35207 135.039 134.324 398.804 -18.7848 177.78 -168.249 196.907 PRESSAVG: 1279800 59.2089 -8.49191 -39.0821 -8.4918 -22.6966 -54.437 -39.0822 -54.4369 28.5319 GPRESSAVG: 1279800 61.0545 -7.19439 -39.6294 -8.51396 -23.4607 -54.9065 -38.6636 -55.1984 27.8631 TIMING: 1279800 CPU: 4113.77, 0.00313432/step Wall: 4113.77, 0.00313432/step, 3.23897 hours remaining, 230.875000 MB of memory in use. ENERGY: 1279800 3883.9495 20334.9503 14425.5448 234.9330 -203424.0914 2763.9005 0.0000 0.0000 52095.7299 -109685.0835 299.3949 -161780.8134 -109314.1980 298.2176 219.1432 253.0771 758899.4584 21.6814 21.8190 PRESSURE: 1280000 34.9869 -123.988 -101.854 -123.987 -237.83 -54.3648 -101.855 -54.3652 -254.2 GPRESSURE: 1280000 18.1879 -116.487 21.9282 -160.052 -218.431 -124.795 -189.256 -27.5622 -153.67 PRESSAVG: 1280000 42.0411 -28.0189 22.0726 -28.0188 -41.1008 -23.6872 22.0726 -23.6872 -13.5011 GPRESSAVG: 1280000 40.65 -29.3314 25.1258 -26.7765 -41.396 -24.9004 20.2861 -21.9534 -12.22 TIMING: 1280000 CPU: 4114.4, 0.0031279/step Wall: 4114.4, 0.0031279/step, 3.23217 hours remaining, 230.875000 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: 1280000 4052.2492 20445.8825 14432.3008 240.7669 -202769.7451 2119.1826 0.0000 0.0000 51878.9243 -109600.4388 298.1489 -161479.3631 -109244.8357 298.8723 -152.3477 -117.9709 758697.0678 -4.1869 -4.3220 PRESSURE: 1280200 -120.846 103.036 -87.0846 103.036 187.438 -38.7408 -87.0848 -38.7405 143.701 GPRESSURE: 1280200 1.65671 15.9443 -107.435 48.7608 169.728 -69.2836 -18.4572 -35.7393 121.025 PRESSAVG: 1280200 30.7924 20.6576 -48.6198 20.6577 -35.7315 -65.7953 -48.6198 -65.7953 -8.09361 GPRESSAVG: 1280200 32.0833 18.6803 -49.9335 19.5412 -35.5327 -65.1852 -47.6249 -65.6435 -9.16042 TIMING: 1280200 CPU: 4115.03, 0.00315924/step Wall: 4115.03, 0.00315924/step, 3.26438 hours remaining, 230.875000 MB of memory in use. ENERGY: 1280200 3983.9300 20465.9635 14462.0507 239.4356 -203043.6223 2264.5132 0.0000 0.0000 52045.2394 -109582.4898 299.1047 -161627.7292 -109226.6067 299.1065 70.0974 97.4701 760056.2899 -4.3442 -4.2033 LDB: ============= START OF LOAD BALANCING ============== 4127.45 LDB: ============== END OF LOAD BALANCING =============== 4127.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4127.45 LDB: ============= START OF LOAD BALANCING ============== 4127.77 LDB: Largest compute 7068 load 0.037056 is 19.0% of average load 0.195277 LDB: Average compute 0.004384 is 2.2% of average load 0.195277 LDB: TIME 4127.77 LOAD: AVG 0.195277 MAX 0.211755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.137 MB LDB: TIME 4127.77 LOAD: AVG 0.195277 MAX 0.211755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.137 MB LDB: TIME 4127.77 LOAD: AVG 0.195277 MAX 0.211755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.137 MB LDB: ============== END OF LOAD BALANCING =============== 4127.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4127.78 PRESSURE: 1280400 70.7184 117.867 70.6619 117.866 251.739 17.9672 70.6616 17.9679 237.783 GPRESSURE: 1280400 65.4052 222.871 -30.0396 159.327 265.984 -18.6937 54.456 88.081 313.628 PRESSAVG: 1280400 -54.1319 -1.7896 -33.5325 -1.78956 30.1211 -55.7111 -33.5325 -55.7111 -7.36668 GPRESSAVG: 1280400 -55.1889 0.956527 -34.4288 -2.49471 30.7925 -55.9419 -35.5435 -58.3583 -6.98152 TIMING: 1280400 CPU: 4115.67, 0.00320445/step Wall: 4115.67, 0.00320445/step, 3.31091 hours remaining, 232.585938 MB of memory in use. ENERGY: 1280400 3993.8774 20617.5868 14390.5526 254.7766 -203338.0342 2813.8027 0.0000 0.0000 51941.0111 -109326.4270 298.5057 -161267.4381 -108976.0357 299.2129 186.7468 215.0057 761379.7213 -10.4592 -10.4593 PRESSURE: 1280600 -133.866 -2.33031 262.395 -2.32949 360.933 -16.4548 262.395 -16.4564 57.2224 GPRESSURE: 1280600 65.8792 -111.726 190.933 21.066 334.825 -71.7162 453.207 -41.2219 -14.9823 PRESSAVG: 1280600 -21.2183 52.512 9.41644 52.512 28.6433 -42.451 9.41641 -42.451 7.84245 GPRESSAVG: 1280600 -21.4272 51.4153 9.23711 53.8444 29.4699 -40.6344 13.4701 -42.8226 7.2047 TIMING: 1280600 CPU: 4116.3, 0.00314011/step Wall: 4116.3, 0.00314011/step, 3.24426 hours remaining, 232.656250 MB of memory in use. ENERGY: 1280600 4039.4964 20484.3284 14457.6126 237.5736 -203286.5628 2424.7966 0.0000 0.0000 52232.0299 -109410.7251 300.1782 -161642.7550 -109047.9907 299.5849 94.7631 128.5739 759059.3486 5.0892 5.0825 PRESSURE: 1280800 -33.4502 -79.6862 72.7117 -79.6857 -267.067 116.163 72.7123 116.163 278.237 GPRESSURE: 1280800 65.7868 -65.4701 -37.7847 -51.1822 -284.132 110.234 78.2964 -32.5812 298.453 PRESSAVG: 1280800 3.59062 19.5056 57.6684 19.5056 -14.771 -53.846 57.6684 -53.846 14.3846 GPRESSAVG: 1280800 2.77971 21.9184 58.3909 17.7408 -15.845 -55.6888 54.9915 -55.0975 16.4628 TIMING: 1280800 CPU: 4116.93, 0.0031409/step Wall: 4116.93, 0.0031409/step, 3.2449 hours remaining, 232.656250 MB of memory in use. ENERGY: 1280800 4024.1754 20571.7967 14398.0101 254.7180 -202898.3520 2119.3957 0.0000 0.0000 52199.6718 -109330.5844 299.9922 -161530.2562 -108971.2273 299.5711 -7.4265 26.7025 759588.2474 1.0681 1.1325 PRESSURE: 1281000 148.742 -38.0474 35.4828 -38.048 303.873 57.2399 35.4828 57.2412 223.892 GPRESSURE: 1281000 151.168 -5.75521 -27.1447 89.3239 359.257 57.8667 135.56 95.2961 243.651 PRESSAVG: 1281000 -14.8608 -12.4829 -39.8967 -12.483 1.02944 -35.2695 -39.8968 -35.2695 7.26908 GPRESSAVG: 1281000 -14.6529 -14.3092 -40.3092 -10.3175 0.351144 -33.4137 -39.1161 -33.5473 7.62789 TIMING: 1281000 CPU: 4117.56, 0.00314533/step Wall: 4117.56, 0.00314533/step, 3.2493 hours remaining, 232.656250 MB of memory in use. ENERGY: 1281000 3996.4164 20500.2861 14485.2206 272.1092 -203280.3281 2515.4161 0.0000 0.0000 52149.6930 -109361.1865 299.7050 -161510.8795 -109010.7156 299.6414 225.5022 251.3585 760309.5072 -2.1874 -2.2246 PRESSURE: 1281200 205.008 99.6892 -169.61 99.6899 -28.0027 1.85609 -169.61 1.85622 -139.002 GPRESSURE: 1281200 203.442 134.254 -93.6638 21.6249 28.965 97.878 -61.3848 17.4908 -104.528 PRESSAVG: 1281200 46.895 -47.2853 7.45003 -47.2853 1.68521 8.95991 7.45002 8.95986 14.3466 GPRESSAVG: 1281200 47.2548 -47.0415 6.87848 -45.9785 1.96481 10.1545 8.79526 7.63778 13.5217 TIMING: 1281200 CPU: 4118.19, 0.00314825/step Wall: 4118.19, 0.00314825/step, 3.25214 hours remaining, 232.656250 MB of memory in use. ENERGY: 1281200 4056.2152 20519.0499 14485.9092 240.3931 -203163.2751 2476.0645 0.0000 0.0000 52105.0796 -109280.5637 299.4486 -161385.6433 -108920.6255 299.6606 12.6676 42.6262 759843.7556 20.9756 20.9138 PRESSURE: 1281400 -120.982 -280.129 41.3187 -280.129 -50.2018 -166.509 41.3177 -166.509 -278.215 GPRESSURE: 1281400 -162.919 -316.184 53.0116 -285.973 -44.5856 -120.643 35.0877 -151.665 -155.124 PRESSAVG: 1281400 12.0015 -43.4657 -3.9605 -43.4658 -18.6038 -43.7283 -3.96051 -43.7282 8.11985 GPRESSAVG: 1281400 11.6649 -42.887 -1.61922 -45.3703 -18.3253 -45.3768 -6.00025 -42.0017 8.44746 TIMING: 1281400 CPU: 4118.81, 0.0031377/step Wall: 4118.81, 0.0031377/step, 3.24107 hours remaining, 232.656250 MB of memory in use. ENERGY: 1281400 4046.8928 20478.8190 14452.4085 256.4546 -203047.4304 2335.1623 0.0000 0.0000 52262.9729 -109214.7202 300.3560 -161477.6932 -108851.8446 299.5679 -149.7998 -120.8760 758545.5296 0.5059 0.5957 PRESSURE: 1281600 -58.0126 54.2722 -101.477 54.2712 -166.781 248.826 -101.478 248.826 -204.227 GPRESSURE: 1281600 6.81656 41.8848 -30.1162 93.5624 -135.059 281.476 -149.47 152.664 -210.607 PRESSAVG: 1281600 26.4907 -27.3178 -28.4174 -27.3179 -6.44216 -4.00117 -28.4174 -4.00115 3.67282 GPRESSAVG: 1281600 28.1924 -27.201 -29.3679 -27.3472 -7.70911 -4.75305 -28.0031 -5.24953 3.23948 TIMING: 1281600 CPU: 4119.44, 0.00313496/step Wall: 4119.44, 0.00313496/step, 3.23807 hours remaining, 232.656250 MB of memory in use. ENERGY: 1281600 4030.0277 20543.5657 14407.0382 228.6726 -203194.8834 2304.8927 0.0000 0.0000 52153.8517 -109526.8348 299.7289 -161680.6864 -109164.8393 299.8206 -143.0068 -112.9498 759455.2812 7.9071 7.9076 PRESSURE: 1281800 -308.46 -210.197 16.0547 -210.196 62.7043 119.721 16.0543 119.721 -594.781 GPRESSURE: 1281800 -160.04 -159.318 69.0645 -171.383 15.4398 93.874 113.116 191.866 -612.129 PRESSAVG: 1281800 -31.9886 -49.838 -19.4472 -49.838 -20.8458 27.6382 -19.4472 27.6381 -18.9202 GPRESSAVG: 1281800 -32.8389 -51.1707 -18.5953 -48.3381 -20.8157 27.8486 -18.5719 28.9063 -19.0234 TIMING: 1281800 CPU: 4120.07, 0.00313245/step Wall: 4120.07, 0.00313245/step, 3.2353 hours remaining, 232.656250 MB of memory in use. ENERGY: 1281800 3996.6100 20434.9905 14477.2974 253.0931 -203450.1423 2436.9187 0.0000 0.0000 52072.4308 -109778.8019 299.2610 -161851.2326 -109408.4573 299.1449 -280.1788 -252.2431 759833.4985 -23.9182 -24.2260 PRESSURE: 1282000 -195.305 -209.096 54.7457 -209.096 15.4295 -20.2695 54.7452 -20.2695 -72.4023 GPRESSURE: 1282000 -162.398 -238.266 68.3932 -173.851 52.9031 -94.5725 -91.1426 51.627 -81.4961 PRESSAVG: 1282000 -29.2437 -90.501 -26.73 -90.501 0.827521 -20.146 -26.73 -20.146 -14.8669 GPRESSAVG: 1282000 -29.6746 -90.6308 -29.9896 -93.6682 0.192991 -19.6462 -27.561 -20.9063 -13.7028 TIMING: 1282000 CPU: 4120.7, 0.00314244/step Wall: 4120.7, 0.00314244/step, 3.24544 hours remaining, 232.656250 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: 1282000 4021.5308 20557.5934 14448.8543 235.1978 -203148.8295 2367.4157 0.0000 0.0000 51958.2584 -109559.9790 298.6048 -161518.2375 -109205.1502 299.2100 -84.0926 -63.6636 760064.4367 -14.4277 -14.3948 PRESSURE: 1282200 254.827 -185.217 -282.752 -185.217 136.987 110.513 -282.752 110.514 -104.763 GPRESSURE: 1282200 273.647 -115 -270.131 -177.208 197.609 151.652 -222.032 146.683 -108.731 PRESSAVG: 1282200 -59.5443 -52.4817 10.5461 -52.4817 14.3491 32.2051 10.5461 32.2051 -15.0226 GPRESSAVG: 1282200 -58.5052 -51.937 11.7998 -49.8003 13.9571 32.8903 12.3336 33.8816 -15.8117 TIMING: 1282200 CPU: 4121.33, 0.00314296/step Wall: 4121.33, 0.00314296/step, 3.2458 hours remaining, 232.656250 MB of memory in use. ENERGY: 1282200 3959.6566 20288.1643 14374.8632 241.1000 -203311.7017 2399.1366 0.0000 0.0000 52471.3353 -109577.4457 301.5535 -162048.7811 -109217.3853 299.4305 95.6840 120.8418 758925.1885 -20.0726 -20.1199 PRESSURE: 1282400 -389.762 -21.5625 -47.4054 -21.5626 -492.764 200.315 -47.4062 200.316 -407.867 GPRESSURE: 1282400 -352.28 5.4414 16.1569 -116.274 -507.504 212.655 -5.99247 135.919 -333.622 PRESSAVG: 1282400 23.9723 -26.2816 12.4971 -26.2817 40.0417 34.2608 12.4971 34.2608 2.65052 GPRESSAVG: 1282400 23.6272 -25.7171 13.3378 -28.7406 40.525 34.0948 9.70784 30.9783 2.55076 TIMING: 1282400 CPU: 4121.96, 0.00314917/step Wall: 4121.96, 0.00314917/step, 3.25205 hours remaining, 232.656250 MB of memory in use. ENERGY: 1282400 4002.0254 20650.5315 14523.6271 232.9299 -203433.8483 2367.8218 0.0000 0.0000 52113.9491 -109542.9636 299.4996 -161656.9127 -109178.2707 299.5454 -430.1314 -397.8019 760342.7384 22.2215 22.2343 PRESSURE: 1282600 -276.17 11.6293 -203.02 11.6291 -80.166 23.3634 -203.021 23.3626 -150.964 GPRESSURE: 1282600 -276.691 -42.2737 -146.96 40.3786 -44.7099 -17.9174 -224.099 23.9776 -102.023 PRESSAVG: 1282600 -11.8982 -9.90788 -47.256 -9.90786 17.9872 -40.0884 -47.2561 -40.0884 -10.9874 GPRESSAVG: 1282600 -11.7215 -10.3031 -47.7232 -9.05965 18.2088 -43.2608 -44.3179 -39.2041 -10.5811 TIMING: 1282600 CPU: 4122.58, 0.00313248/step Wall: 4122.58, 0.00313248/step, 3.23463 hours remaining, 232.656250 MB of memory in use. ENERGY: 1282600 4051.4892 20408.8185 14449.2955 242.9179 -203125.3143 2269.0453 0.0000 0.0000 52108.3408 -109595.4071 299.4674 -161703.7479 -109236.0493 299.1328 -169.0999 -141.1415 760603.6848 -1.6328 -1.3646 PRESSURE: 1282800 -186.464 371.027 -33.263 371.026 -159.59 -109.898 -33.2637 -109.898 248.156 GPRESSURE: 1282800 -133.653 240.741 -67.5472 364.33 -162.615 -20.1827 21.2896 -88.4825 287.114 PRESSAVG: 1282800 21.2513 32.8703 0.482518 32.8703 -10.8309 -19.1077 0.482442 -19.1076 38.3127 GPRESSAVG: 1282800 20.4606 31.9741 0.739092 33.132 -11.1881 -17.031 -2.88552 -16.7826 38.9176 TIMING: 1282800 CPU: 4123.21, 0.00311869/step Wall: 4123.21, 0.00311869/step, 3.22022 hours remaining, 232.656250 MB of memory in use. ENERGY: 1282800 3965.4300 20494.7529 14476.7127 268.4703 -203368.8608 2627.2306 0.0000 0.0000 52082.5092 -109453.7550 299.3189 -161536.2642 -109102.7090 299.7735 -32.6327 -3.0513 761131.0801 16.2444 16.0633 PRESSURE: 1283000 -62.025 -41.4748 60.2772 -41.4749 109.673 235.176 60.277 235.176 -52.4492 GPRESSURE: 1283000 34.2467 -71.6565 -8.85179 -200.072 112.425 201.409 19.8119 226.269 -68.0708 PRESSAVG: 1283000 -31.0595 -64.3738 -22.714 -64.3737 61.3425 -2.66616 -22.7139 -2.66617 -9.36177 GPRESSAVG: 1283000 -29.8937 -64.1689 -22.7454 -66.063 61.1571 -1.87841 -21.5845 -3.6757 -10.2585 TIMING: 1283000 CPU: 4123.83, 0.00313679/step Wall: 4123.83, 0.00313679/step, 3.23873 hours remaining, 232.656250 MB of memory in use. ENERGY: 1283000 3988.0459 20626.6134 14534.0913 228.2808 -203629.0603 2607.6725 0.0000 0.0000 52044.1444 -109600.2121 299.0984 -161644.3565 -109232.4604 299.8125 -1.6004 26.2004 758631.6165 6.9737 7.0016 PRESSURE: 1283200 -12.3122 175.303 -151.329 175.303 2.28425 77.4412 -151.329 77.4406 -174.795 GPRESSURE: 1283200 -174.099 78.2903 -36.7053 36.6838 192.748 54.7164 -30.7512 147.336 -143.212 PRESSAVG: 1283200 -24.0722 -4.46271 29.3969 -4.46271 19.5254 5.41987 29.3969 5.41992 6.60869 GPRESSAVG: 1283200 -25.6155 -5.1121 30.1809 -1.83198 20.2203 5.99379 29.74 4.55463 7.19788 TIMING: 1283200 CPU: 4124.46, 0.00313835/step Wall: 4124.46, 0.00313835/step, 3.24017 hours remaining, 232.656250 MB of memory in use. ENERGY: 1283200 4022.2434 20668.8320 14598.8007 259.6937 -203936.1510 2664.9569 0.0000 0.0000 52110.6041 -109611.0202 299.4804 -161721.6244 -109258.0226 299.5893 -61.6077 -41.5211 759316.0406 0.6873 0.6009 PRESSURE: 1283400 -148.303 -264.999 -48.168 -264.998 -307.519 165.441 -48.1673 165.443 -577.852 GPRESSURE: 1283400 -40.9843 -95.6795 -34.3295 -308.874 -324.059 95.5898 55.951 155.559 -585.241 PRESSAVG: 1283400 28.1924 -43.2231 -10.5734 -43.2231 0.0737483 51.0079 -10.5735 51.0079 10.2933 GPRESSAVG: 1283400 28.3557 -41.323 -12.8051 -44.61 -0.647461 49.8728 -9.31655 50.5585 10.5469 TIMING: 1283400 CPU: 4125.09, 0.00314157/step Wall: 4125.09, 0.00314157/step, 3.24332 hours remaining, 232.656250 MB of memory in use. ENERGY: 1283400 4005.8578 20540.9047 14595.8449 250.0638 -203468.5740 2452.8090 0.0000 0.0000 51911.3363 -109711.7575 298.3352 -161623.0938 -109347.9605 299.5566 -344.5584 -316.7616 759285.5083 12.8532 12.7517 PRESSURE: 1283600 -180.072 60.8049 -89.2473 60.8048 -184.705 -113.731 -89.2473 -113.732 -48.3981 GPRESSURE: 1283600 -120.324 -31.8766 -94.5041 -16.8555 -132.36 -19.7506 28.2178 14.9017 -66.946 PRESSAVG: 1283600 -64.6871 -37.6962 24.6991 -37.6962 11.2654 -19.6179 24.6991 -19.618 -9.99051 GPRESSAVG: 1283600 -61.8291 -39.8218 25.2345 -37.4021 9.9564 -18.0924 25.0043 -19.1207 -11.4001 TIMING: 1283600 CPU: 4125.72, 0.00313542/step Wall: 4125.72, 0.00313542/step, 3.2368 hours remaining, 232.656250 MB of memory in use. ENERGY: 1283600 3953.5503 20629.3164 14546.8460 241.6949 -203387.0980 2271.3285 0.0000 0.0000 52203.2296 -109541.1324 300.0127 -161744.3619 -109176.7799 299.1818 -137.7250 -106.5431 759393.1593 -21.1374 -21.0909 PRESSURE: 1283800 1.63797 121.729 -68.5685 121.728 97.6966 184.777 -68.5692 184.778 101.715 GPRESSURE: 1283800 56.4742 47.1336 23.2397 123.402 138.879 184.416 -72.0886 73.3159 62.7404 PRESSAVG: 1283800 0.0983678 -11.098 -50.0522 -11.0979 13.6429 15.0084 -50.0522 15.0083 2.55363 GPRESSAVG: 1283800 -2.52303 -11.0741 -49.6602 -12.4539 15.9021 13.1849 -50.5372 14.9733 2.78924 TIMING: 1283800 CPU: 4126.35, 0.00314659/step Wall: 4126.35, 0.0031466/step, 3.24816 hours remaining, 232.656250 MB of memory in use. ENERGY: 1283800 4047.4740 20515.6328 14473.6045 249.9653 -203722.8553 2699.9425 0.0000 0.0000 52134.6575 -109601.5787 299.6186 -161736.2362 -109235.3705 299.5797 67.0167 86.0312 759152.6510 5.4316 5.3895 PRESSURE: 1284000 -206.506 -165.679 -169.524 -165.679 -45.2547 28.9612 -169.524 28.9611 -313.947 GPRESSURE: 1284000 -178.75 -232.96 -203.624 2.96253 -73.9107 50.0123 -150.059 -52.653 -226.248 PRESSAVG: 1284000 18.5228 -65.6333 -48.8492 -65.6333 -12.1222 -17.0827 -48.8492 -17.0827 -39.2432 GPRESSAVG: 1284000 18.9864 -64.847 -49.3275 -65.6134 -12.9147 -16.6815 -48.1546 -17.5057 -38.9897 TIMING: 1284000 CPU: 4126.98, 0.00316864/step Wall: 4126.98, 0.00316864/step, 3.27074 hours remaining, 232.656250 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: 1284000 4027.1444 20755.6339 14449.1054 248.5057 -203650.7065 2389.8449 0.0000 0.0000 52144.1111 -109636.3611 299.6729 -161780.4722 -109282.0061 299.2094 -188.5691 -159.6360 757910.1007 -10.9476 -10.9727 PRESSURE: 1284200 108.34 -31.3234 263.443 -31.3239 -136.923 -79.4175 263.442 -79.4171 -145.666 GPRESSURE: 1284200 71.0614 -102.672 197.7 -34.5881 -71.0125 -81.0554 239.816 -134.181 -102.314 PRESSAVG: 1284200 56.8409 -90.342 -20.0557 -90.3421 -56.6785 -6.86915 -20.0556 -6.86916 18.1028 GPRESSAVG: 1284200 57.6417 -89.5061 -19.0826 -90.3212 -57.0129 -6.65684 -21.1632 -6.68087 17.7139 TIMING: 1284200 CPU: 4127.61, 0.00314233/step Wall: 4127.61, 0.00314233/step, 3.24341 hours remaining, 232.656250 MB of memory in use. ENERGY: 1284200 3999.2312 20672.5661 14497.2644 238.4120 -203669.7993 2749.1087 0.0000 0.0000 52272.5773 -109240.6397 300.4112 -161513.2169 -108872.9173 299.9409 -58.0832 -34.0883 760146.9772 6.0884 6.1142 LDB: ============= START OF LOAD BALANCING ============== 4140.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4140.03 LDB: =============== DONE WITH MIGRATION ================ 4140.03 LDB: ============= START OF LOAD BALANCING ============== 4140.35 LDB: Largest compute 7078 load 0.035097 is 18.0% of average load 0.195180 LDB: Average compute 0.004390 is 2.2% of average load 0.195180 LDB: TIME 4140.35 LOAD: AVG 0.19518 MAX 0.213337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.547 MB LDB: TIME 4140.35 LOAD: AVG 0.19518 MAX 0.213337 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: TIME 4140.35 LOAD: AVG 0.19518 MAX 0.213337 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: ============== END OF LOAD BALANCING =============== 4140.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4140.36 PRESSURE: 1284400 96.6863 -17.8875 11.2772 -17.8875 4.22008 -182.464 11.2779 -182.464 -275.012 GPRESSURE: 1284400 150.47 146.846 -53.252 51.7581 71.4744 -124.874 30.4623 -125.061 -298.218 PRESSAVG: 1284400 -36.2255 -15.3738 27.1305 -15.3738 -6.13816 -26.1419 27.1305 -26.1419 -9.47278 GPRESSAVG: 1284400 -37.7005 -17.3153 25.7935 -14.2021 -5.66064 -24.0261 27.8269 -27.549 -8.55805 TIMING: 1284400 CPU: 4128.25, 0.00321945/step Wall: 4128.25, 0.00321945/step, 3.32283 hours remaining, 231.390625 MB of memory in use. ENERGY: 1284400 3988.1328 20645.7552 14512.6907 242.2560 -203189.8467 2490.7247 0.0000 0.0000 52057.6309 -109252.6563 299.1759 -161310.2872 -108895.9450 299.9026 -58.0352 -25.4244 760465.4303 -17.2788 -17.3064 PRESSURE: 1284600 -117.003 -34.4502 -230.828 -34.4503 2.50953 161.395 -230.827 161.395 67.1016 GPRESSURE: 1284600 14.7926 147.178 -172.908 -104.955 1.55876 174.38 -237.208 72.9926 20.8151 PRESSAVG: 1284600 -6.37052 -26.7487 3.43155 -26.7486 -19.076 -30.748 3.43158 -30.748 5.25364 GPRESSAVG: 1284600 -5.46832 -23.6501 4.15739 -26.6083 -19.2475 -31.0985 3.43151 -30.1552 4.68072 TIMING: 1284600 CPU: 4128.88, 0.00315076/step Wall: 4128.88, 0.00315076/step, 3.25175 hours remaining, 231.789062 MB of memory in use. ENERGY: 1284600 3987.7760 20588.2069 14471.1001 263.6674 -203338.0798 2650.1153 0.0000 0.0000 52213.3938 -109163.8202 300.0711 -161377.2140 -108802.6986 300.1746 -15.7974 12.3888 760359.4989 -6.7310 -6.6784 PRESSURE: 1284800 -550.537 -79.3681 -232.877 -79.3679 -52.4512 176.419 -232.877 176.419 60.1444 GPRESSURE: 1284800 -486.986 -238.276 -214.866 -81.1065 -26.4353 259.978 -98.7377 117.757 75.4966 PRESSAVG: 1284800 -64.4467 -58.6475 28.6295 -58.6475 15.8883 -5.98921 28.6294 -5.98925 -37.2183 GPRESSAVG: 1284800 -64.1596 -59.6799 28.7366 -59.1713 16.0722 -6.83595 27.366 -6.67928 -37.2172 TIMING: 1284800 CPU: 4129.51, 0.00315908/step Wall: 4129.51, 0.00315908/step, 3.26017 hours remaining, 231.992188 MB of memory in use. ENERGY: 1284800 4110.2574 20667.7895 14511.7148 229.2811 -202727.1708 2045.0004 0.0000 0.0000 51949.2818 -109213.8457 298.5532 -161163.1275 -108852.8412 299.9442 -180.9479 -145.9751 762034.1689 -28.5922 -28.4349 PRESSURE: 1285000 242.487 82.2967 130.402 82.2975 -38.7042 9.02058 130.402 9.02004 -56.3853 GPRESSURE: 1285000 213.445 108.551 163.945 -30.1513 90.5338 18.798 188.842 141.251 -68.2527 PRESSAVG: 1285000 59.7732 -52.091 -25.5383 -52.0909 -12.988 -5.32406 -25.5384 -5.32411 9.44308 GPRESSAVG: 1285000 59.1361 -52.3212 -25.9403 -53.405 -12.9542 -4.80253 -22.3673 -4.05763 10.5217 TIMING: 1285000 CPU: 4130.14, 0.00313947/step Wall: 4130.14, 0.00313947/step, 3.23976 hours remaining, 231.992188 MB of memory in use. ENERGY: 1285000 4007.5906 20521.0693 14559.6378 257.3486 -203465.7136 2508.5291 0.0000 0.0000 52234.7266 -109376.8115 300.1937 -161611.5381 -109009.1653 299.6432 49.1324 78.5752 760659.0355 18.7428 18.9012 PRESSURE: 1285200 80.9625 -212.639 -33.0047 -212.64 -24.7214 14.2061 -33.0053 14.2066 -280.752 GPRESSURE: 1285200 58.9488 -218.518 -70.5814 -227.577 -64.9007 29.835 7.04731 -155.38 -140.122 PRESSAVG: 1285200 60.9493 -12.7465 -9.53046 -12.7465 -30.4626 -14.6582 -9.53043 -14.6582 -3.79188 GPRESSAVG: 1285200 61.1114 -13.2735 -8.87246 -10.0477 -30.4895 -15.0383 -12.3485 -14.6323 -3.47477 TIMING: 1285200 CPU: 4130.77, 0.00313336/step Wall: 4130.77, 0.00313336/step, 3.23328 hours remaining, 231.992188 MB of memory in use. ENERGY: 1285200 3954.7439 20539.2095 14559.0998 259.8169 -203244.2163 2492.5810 0.0000 0.0000 52016.2941 -109422.4711 298.9384 -161438.7653 -109060.7293 299.7631 -74.8368 -48.6914 759982.1375 8.8983 9.0491 PRESSURE: 1285400 -87.5928 -164.512 -47.3473 -164.512 28.7471 -109.959 -47.348 -109.959 -36.0079 GPRESSURE: 1285400 63.9674 -131.889 -47.7034 -170.984 -19.9717 -148.442 44.4795 -168.908 -57.3443 PRESSAVG: 1285400 17.166 -57.9804 -20.6488 -57.9804 -14.4083 -7.46411 -20.6488 -7.46408 -11.1855 GPRESSAVG: 1285400 18.6674 -58.1754 -20.1135 -57.9737 -15.5212 -7.78672 -20.6261 -5.99293 -11.522 TIMING: 1285400 CPU: 4131.39, 0.00313421/step Wall: 4131.39, 0.00313421/step, 3.23398 hours remaining, 231.992188 MB of memory in use. ENERGY: 1285400 4042.2705 20472.8455 14538.7428 257.4350 -203688.0341 2741.5936 0.0000 0.0000 52338.2858 -109296.8608 300.7888 -161635.1466 -108934.1563 299.8559 -31.6179 -4.4495 760890.8357 -2.8093 -2.7919 PRESSURE: 1285600 -139.812 79.1706 -32.6088 79.169 -190.59 -74.418 -32.6093 -74.4174 -331.557 GPRESSURE: 1285600 -161.114 57.4985 -47.5605 73.0974 -146.853 -9.70476 -151.44 -23.439 -273.178 PRESSAVG: 1285600 4.62759 -31.5627 10.0792 -31.5627 -2.02925 -7.08934 10.0792 -7.08934 -6.18646 GPRESSAVG: 1285600 4.95186 -30.9339 9.47809 -32.3492 -2.3258 -7.71024 10.6234 -7.74382 -6.58564 TIMING: 1285600 CPU: 4132.02, 0.00315113/step Wall: 4132.02, 0.00315113/step, 3.25126 hours remaining, 231.992188 MB of memory in use. ENERGY: 1285600 4022.1687 20641.9616 14437.7655 225.1030 -203306.3866 2412.1876 0.0000 0.0000 52042.8031 -109524.3971 299.0907 -161567.2002 -109174.8465 299.9877 -220.6531 -193.7149 761075.6242 -1.1960 -1.3199 PRESSURE: 1285800 -439.444 -9.85733 106.552 -9.85756 -219.308 95.2715 106.552 95.2709 41.4835 GPRESSURE: 1285800 -477.613 16.5304 -13.2929 -21.8362 -113.552 23.2645 50.9002 135.186 56.0248 PRESSAVG: 1285800 26.0187 -32.3252 26.411 -32.3252 -11.5273 -58.8836 26.411 -58.8836 0.370849 GPRESSAVG: 1285800 24.3159 -31.8074 25.1911 -31.9043 -11.1661 -58.6032 26.1631 -59.5204 2.10763 TIMING: 1285800 CPU: 4132.66, 0.00315202/step Wall: 4132.66, 0.00315202/step, 3.25201 hours remaining, 231.992188 MB of memory in use. ENERGY: 1285800 3986.2809 20536.0033 14512.6686 240.1350 -203032.1099 2101.2816 0.0000 0.0000 52165.0832 -109490.6572 299.7935 -161655.7405 -109118.4180 299.2877 -205.7562 -178.3800 759324.1564 4.9541 5.0858 PRESSURE: 1286000 -303.037 12.3534 241.502 12.3537 -269.73 -53.0208 241.501 -53.0226 -55.1179 GPRESSURE: 1286000 -268.675 40.7107 311.019 -111.393 -274.526 -55.8797 162.335 -200.699 0.76359 PRESSAVG: 1286000 -28.7139 -68.7475 7.6428 -68.7475 16.8575 39.1653 7.64286 39.1653 -3.64571 GPRESSAVG: 1286000 -27.9515 -69.394 9.15141 -69.1213 16.5615 38.1858 6.69016 40.1066 -3.90735 TIMING: 1286000 CPU: 4133.29, 0.00315518/step Wall: 4133.29, 0.00315518/step, 3.25509 hours remaining, 231.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 3964.1144 20724.5811 14460.3203 224.9778 -202844.4842 2065.8876 0.0000 0.0000 51916.8026 -109487.8004 298.3666 -161404.6030 -109138.0178 299.0986 -209.2951 -180.8125 758372.6637 -5.1674 -5.0991 PRESSURE: 1286200 89.7875 -2.55773 -21.7149 -2.55795 9.005 -233.216 -21.7152 -233.214 338.539 GPRESSURE: 1286200 310.503 -6.84778 -103.135 5.10219 -81.6657 -145.037 -18.5927 -227.611 289.729 PRESSAVG: 1286200 43.9394 -61.5949 28.3983 -61.5949 -52.7053 -15.0025 28.3983 -15.0025 -9.4267 GPRESSAVG: 1286200 44.5044 -62.2024 27.8678 -60.0096 -53.2884 -15.8055 28.9688 -15.2406 -10.3421 TIMING: 1286200 CPU: 4133.91, 0.00313175/step Wall: 4133.91, 0.00313175/step, 3.23075 hours remaining, 231.992188 MB of memory in use. ENERGY: 1286200 4041.7603 20573.8439 14541.2979 260.1842 -203205.1861 2241.8351 0.0000 0.0000 52090.7266 -109455.5380 299.3661 -161546.2646 -109101.3733 299.7313 145.7771 172.8556 756946.6981 -6.0642 -6.3754 PRESSURE: 1286400 356.302 -121.33 -151.799 -121.329 140.441 -40.6905 -151.799 -40.6909 -465.703 GPRESSURE: 1286400 355.145 -17.254 -62.8838 -143.112 209.719 -23.6652 -135.725 -2.81443 -457.731 PRESSAVG: 1286400 71.295 34.7049 49.9448 34.7049 -65.1064 -5.90605 49.9448 -5.90609 8.36662 GPRESSAVG: 1286400 69.7164 35.4388 49.4471 32.3359 -64.1893 -6.14023 51.8981 -6.07149 8.74204 TIMING: 1286400 CPU: 4134.54, 0.00313951/step Wall: 4134.54, 0.00313951/step, 3.23858 hours remaining, 231.992188 MB of memory in use. ENERGY: 1286400 3951.2201 20537.0339 14419.3112 238.8744 -203125.1433 2298.6398 0.0000 0.0000 52133.1454 -109546.9186 299.6099 -161680.0640 -109169.2064 300.3924 10.3468 35.7108 759447.9499 4.8517 4.7564 PRESSURE: 1286600 -132.173 147.614 -243.334 147.614 -198.964 157.187 -243.334 157.188 14.0368 GPRESSURE: 1286600 -137.855 65.0877 -256.976 159.442 -136.613 122.381 -123.159 223.556 39.6104 PRESSAVG: 1286600 2.47163 -25.4262 37.2508 -25.4262 -5.18631 -15.5359 37.2509 -15.536 -1.98628 GPRESSAVG: 1286600 2.826 -25.3578 36.9543 -25.771 -5.24913 -14.2005 34.1687 -15.4829 -1.41643 TIMING: 1286600 CPU: 4135.17, 0.00315303/step Wall: 4135.17, 0.00315303/step, 3.25235 hours remaining, 231.992188 MB of memory in use. ENERGY: 1286600 3956.3264 20420.0974 14459.4657 273.6779 -203426.3861 2408.6103 0.0000 0.0000 52292.2515 -109615.9570 300.5243 -161908.2084 -109243.0533 298.9664 -105.7000 -78.2857 760414.4610 -1.5670 -1.2799 PRESSURE: 1286800 80.8438 -139.361 145.19 -139.362 -34.1412 21.0441 145.19 21.0428 229.18 GPRESSURE: 1286800 100.746 -114.245 201.992 -41.2732 -9.81173 36.9162 130.917 122.643 256.312 PRESSAVG: 1286800 15.5845 -58.3086 68.3646 -58.3085 -19.8042 22.4809 68.3646 22.4809 25.5378 GPRESSAVG: 1286800 16.0185 -57.9521 69.3377 -56.7811 -19.1317 23.9972 68.2845 22.9617 24.5981 TIMING: 1286800 CPU: 4135.8, 0.00314727/step Wall: 4135.8, 0.00314727/step, 3.24624 hours remaining, 231.992188 MB of memory in use. ENERGY: 1286800 3933.6327 20378.7827 14447.3754 260.1873 -203384.2477 2543.5153 0.0000 0.0000 52191.0432 -109629.7112 299.9426 -161820.7544 -109257.5978 299.2646 91.9608 115.7486 760457.1883 7.1061 7.1616 PRESSURE: 1287000 339.622 124.673 171.533 124.673 140.227 -237.087 171.532 -237.087 247.526 GPRESSURE: 1287000 332.383 95.5079 180.225 195.596 183.701 -206.149 89.8806 -280.232 294.07 PRESSAVG: 1287000 0.630179 -31.0767 7.63324 -31.0767 14.6876 -3.2187 7.63329 -3.21859 2.62819 GPRESSAVG: 1287000 1.46115 -31.5972 6.56604 -30.8083 13.1652 -4.07628 8.6573 -4.18799 3.60014 TIMING: 1287000 CPU: 4136.43, 0.00315903/step Wall: 4136.43, 0.00315903/step, 3.25819 hours remaining, 231.992188 MB of memory in use. ENERGY: 1287000 3928.5878 20462.1592 14482.0616 239.0995 -203623.8305 2874.6679 0.0000 0.0000 52057.6062 -109579.6483 299.1758 -161637.2545 -109218.2145 298.5503 242.4585 270.0514 759440.2049 5.9820 6.0755 PRESSURE: 1287200 -152.709 -154.969 -169.601 -154.969 -45.8236 12.1679 -169.602 12.1681 -171.161 GPRESSURE: 1287200 -26.2972 -200.243 -95.8059 -158.441 -22.1598 32.2929 -201.284 59.0273 -239.489 PRESSAVG: 1287200 34.1278 -24.5373 19.2037 -24.5372 -51.161 -43.1205 19.2037 -43.1205 -10.347 GPRESSAVG: 1287200 33.7674 -23.4754 19.3002 -25.3683 -50.4134 -44.4931 17.9346 -43.3596 -10.7225 TIMING: 1287200 CPU: 4137.06, 0.00314112/step Wall: 4137.06, 0.00314112/step, 3.23954 hours remaining, 231.992188 MB of memory in use. ENERGY: 1287200 3998.8030 20742.5821 14417.6098 243.3859 -203351.6604 2523.4324 0.0000 0.0000 51788.7927 -109637.0544 297.6309 -161425.8472 -109280.0883 298.9333 -123.2312 -95.9819 762256.8470 -9.1267 -9.1229 PRESSURE: 1287400 524.019 -191.558 138.404 -191.559 150.379 335.64 138.404 335.64 237.955 GPRESSURE: 1287400 533.965 -140.183 21.7334 -143.099 272.309 252.482 154.948 316.541 179.232 PRESSAVG: 1287400 43.6801 -35.9747 13.184 -35.9747 -32.6197 -6.11798 13.184 -6.11794 -22.3696 GPRESSAVG: 1287400 44.7213 -37.9976 13.3884 -35.3879 -32.5157 -5.97235 15.8309 -6.58111 -23.2681 TIMING: 1287400 CPU: 4137.69, 0.00313345/step Wall: 4137.69, 0.00313345/step, 3.23146 hours remaining, 231.992188 MB of memory in use. ENERGY: 1287400 3930.2050 20351.6709 14520.0241 238.1363 -203738.5372 2938.4693 0.0000 0.0000 51873.8862 -109886.1454 298.1199 -161760.0316 -109524.7879 298.5517 304.1177 328.5019 760343.9756 -3.7697 -3.6875 PRESSURE: 1287600 48.2375 -72.9566 -26.2373 -72.9555 315.396 117.554 -26.2362 117.553 294.565 GPRESSURE: 1287600 121.714 -3.5705 -50.4054 -32.7891 300.196 68.2879 205.456 37.6267 311.329 PRESSAVG: 1287600 -12.345 -59.4743 67.7321 -59.4743 2.65973 -30.6435 67.7321 -30.6435 -3.05998 GPRESSAVG: 1287600 -13.6671 -59.5059 67.8496 -61.4204 2.99905 -29.6522 67.1784 -30.5415 -2.33337 TIMING: 1287600 CPU: 4138.32, 0.00314456/step Wall: 4138.32, 0.00314456/step, 3.24274 hours remaining, 231.992188 MB of memory in use. ENERGY: 1287600 3928.0688 20463.5836 14512.5725 261.0437 -203485.2597 2544.5507 0.0000 0.0000 51885.2616 -109890.1787 298.1853 -161775.4404 -109525.1052 298.2952 219.3995 244.4131 760601.5371 -4.2484 -4.3338 PRESSURE: 1287800 141.566 79.4872 -78.78 79.487 -228.07 30.5762 -78.781 30.5761 -133.499 GPRESSURE: 1287800 94.6669 139.474 -52.2296 63.9937 -77.0171 4.6208 -56.7571 -2.04376 -143.289 PRESSAVG: 1287800 49.07 -58.1462 28.0033 -58.1462 -3.03363 -10.3901 28.0033 -10.39 7.70583 GPRESSAVG: 1287800 48.7365 -57.8505 29.1803 -56.3617 -1.98855 -10.5285 25.1687 -10.8881 7.64508 TIMING: 1287800 CPU: 4138.94, 0.00313181/step Wall: 4138.94, 0.0031318/step, 3.22941 hours remaining, 231.992188 MB of memory in use. ENERGY: 1287800 3919.9038 20443.8011 14415.2621 247.8570 -203558.6945 2646.2796 0.0000 0.0000 52084.4243 -109801.1664 299.3299 -161885.5908 -109442.2456 298.8110 -73.3344 -41.8796 762784.5680 17.9141 18.1310 PRESSURE: 1288000 -229.524 -18.8527 81.0438 -18.8528 -258.044 -204.815 81.0438 -204.816 -141.455 GPRESSURE: 1288000 -204.599 79.9051 58.0826 -4.06305 -244.63 -221.174 88.5403 -116.433 -66.3088 PRESSAVG: 1288000 45.9695 6.06744 11.2873 6.06739 -53.6021 -5.75778 11.2874 -5.75776 -18.4158 GPRESSAVG: 1288000 46.4938 4.85094 10.4354 6.83244 -53.8677 -5.11566 13.0836 -5.8328 -18.6939 TIMING: 1288000 CPU: 4139.57, 0.00313907/step Wall: 4139.57, 0.00313907/step, 3.23673 hours remaining, 231.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 4013.0406 20558.2622 14381.1380 256.9944 -203146.1916 2369.8096 0.0000 0.0000 52054.5831 -109512.3637 299.1584 -161566.9468 -109147.0668 298.7806 -209.6743 -171.8460 762563.3295 -8.6828 -8.6893 PRESSURE: 1288200 225.469 -174.738 93.1148 -174.739 -105.916 -187.147 93.1131 -187.145 -31.8669 GPRESSURE: 1288200 204.706 -188.972 45.6617 -120.061 -23.209 -278.089 202.346 -125.106 -33.5672 PRESSAVG: 1288200 46.1027 -72.9333 32.5728 -72.9333 -65.6964 1.51066 32.5728 1.51073 25.2076 GPRESSAVG: 1288200 47.6921 -70.5663 32.7373 -74.823 -66.6462 2.22711 32.6654 1.84246 24.8964 TIMING: 1288200 CPU: 4140.2, 0.00314671/step Wall: 4140.2, 0.00314671/step, 3.24443 hours remaining, 231.992188 MB of memory in use. ENERGY: 1288200 4016.2610 20479.6206 14437.2743 256.7458 -203085.4496 2656.0576 0.0000 0.0000 51789.7284 -109449.7619 297.6363 -161239.4904 -109092.9652 299.0679 29.2288 49.3099 762211.0230 1.8713 1.9808 LDB: ============= START OF LOAD BALANCING ============== 4152.62 LDB: ============== END OF LOAD BALANCING =============== 4152.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4152.62 LDB: ============= START OF LOAD BALANCING ============== 4152.94 LDB: Largest compute 7031 load 0.034977 is 17.9% of average load 0.195168 LDB: Average compute 0.004400 is 2.3% of average load 0.195168 LDB: TIME 4152.94 LOAD: AVG 0.195168 MAX 0.210312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.711 MB LDB: TIME 4152.94 LOAD: AVG 0.195168 MAX 0.210312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: TIME 4152.94 LOAD: AVG 0.195168 MAX 0.210312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.953 MB LDB: ============== END OF LOAD BALANCING =============== 4152.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4152.95 PRESSURE: 1288400 239.137 83.9309 337.814 83.9314 -96.2136 -76.9003 337.814 -76.9006 168.037 GPRESSURE: 1288400 251.725 -58.3015 327.237 25.7896 -69.6035 -83.7629 343.449 -64.6368 229.288 PRESSAVG: 1288400 58.7284 -56.3583 12.2183 -56.3583 -24.1656 33.956 12.2183 33.9561 14.825 GPRESSAVG: 1288400 58.9061 -58.4956 11.779 -56.9909 -24.5605 33.9951 12.5129 33.1217 15.1202 TIMING: 1288400 CPU: 4140.84, 0.00320395/step Wall: 4140.84, 0.00320395/step, 3.30328 hours remaining, 232.386719 MB of memory in use. ENERGY: 1288400 4015.3867 20522.5516 14386.3199 233.6648 -203193.5389 2460.3194 0.0000 0.0000 52034.0256 -109541.2707 299.0403 -161575.2964 -109178.3675 298.9895 103.6534 137.1364 761127.6441 16.4626 16.4886 PRESSURE: 1288600 -35.23 -116.376 78.7832 -116.374 -74.0668 0.517142 78.7825 0.516892 -407.067 GPRESSURE: 1288600 -1.2605 -54.1585 48.8202 -74.8093 -12.405 -24.548 119.119 29.4179 -411.068 PRESSAVG: 1288600 98.4638 24.0985 49.284 24.0985 -73.9919 -62.3098 49.284 -62.3098 -22.1079 GPRESSAVG: 1288600 98.476 24.0375 49.5664 25.2164 -74.8153 -64.4791 47.8289 -60.0385 -21.3607 TIMING: 1288600 CPU: 4141.47, 0.00313669/step Wall: 4141.47, 0.00313669/step, 3.23375 hours remaining, 232.589844 MB of memory in use. ENERGY: 1288600 4033.4092 20542.8168 14486.4985 231.9564 -202827.8173 2155.9759 0.0000 0.0000 51865.1402 -109512.0202 298.0697 -161377.1604 -109154.5443 298.6619 -172.1214 -141.5777 759743.9052 0.7880 0.7666 PRESSURE: 1288800 -95.5908 -113.658 -88.2066 -113.657 -281.525 -27.1003 -88.2066 -27.1011 91.4729 GPRESSURE: 1288800 -71.7477 -144.146 -108.398 7.6691 -352.469 -59.3519 -140.616 -94.6914 218.289 PRESSAVG: 1288800 42.7803 -24.9387 10.9024 -24.9387 -28.7977 -17.8316 10.9024 -17.8316 9.23336 GPRESSAVG: 1288800 41.8342 -23.4216 11.2012 -22.8268 -27.1488 -17.2906 9.74986 -19.3512 8.75244 TIMING: 1288800 CPU: 4142.09, 0.00310748/step Wall: 4142.09, 0.00310748/step, 3.20347 hours remaining, 232.714844 MB of memory in use. ENERGY: 1288800 3980.2102 20399.0367 14374.4078 278.8954 -202717.2117 2076.9992 0.0000 0.0000 52008.7919 -109598.8705 298.8952 -161607.6624 -109248.2876 298.6638 -95.2142 -68.6425 760605.8329 7.7386 7.8126 PRESSURE: 1289000 118.179 22.066 -9.70595 22.0659 -10.7196 -141.15 -9.70512 -141.149 172.659 GPRESSURE: 1289000 116.594 -61.3077 37.8344 -63.4801 50.1889 -115.242 57.6075 -120.031 201.324 PRESSAVG: 1289000 -27.1362 -22.5349 22.4162 -22.5349 32.9788 -17.5422 22.4162 -17.5422 -15.457 GPRESSAVG: 1289000 -28.2616 -23.8202 23.0272 -24.0196 33.5646 -17.036 24.0318 -16.5983 -15.0213 TIMING: 1289000 CPU: 4142.71, 0.00312109/step Wall: 4142.71, 0.00312109/step, 3.21733 hours remaining, 232.714844 MB of memory in use. ENERGY: 1289000 3972.1787 20441.9510 14394.6157 254.5454 -203088.0460 2377.1001 0.0000 0.0000 52056.4031 -109591.2520 299.1689 -161647.6551 -109229.3608 299.0626 93.3728 122.7023 760763.9971 -3.2048 -3.2394 PRESSURE: 1289200 529.485 -135.062 5.91849 -135.062 164.555 46.2199 5.91893 46.2206 177.741 GPRESSURE: 1289200 446.518 -131.853 21.7979 -144.509 226.601 123.823 -64.1548 15.3915 275.389 PRESSAVG: 1289200 67.4808 -9.06722 31.2349 -9.06721 -79.8672 10.2143 31.2349 10.2142 -18.9086 GPRESSAVG: 1289200 66.8994 -8.65134 32.9364 -9.34175 -80.9267 10.1377 29.3618 7.49696 -17.357 TIMING: 1289200 CPU: 4143.34, 0.00311732/step Wall: 4143.34, 0.00311732/step, 3.21327 hours remaining, 232.785156 MB of memory in use. ENERGY: 1289200 3886.8128 20545.3220 14426.4187 256.9687 -203248.0189 2668.1113 0.0000 0.0000 51853.5315 -109610.8538 298.0030 -161464.3854 -109242.3142 298.8857 290.5938 316.1696 761022.4281 -10.4317 -10.4614 PRESSURE: 1289400 -94.3232 412.427 34.8032 412.428 55.3273 -190.678 34.8026 -190.677 -13.7059 GPRESSURE: 1289400 -17.4826 291.191 107.61 353.255 20.1314 -161.026 -46.3015 -343.818 51.8839 PRESSAVG: 1289400 56.635 37.5995 16.9322 37.5996 -69.5014 10.39 16.9322 10.39 11.1668 GPRESSAVG: 1289400 57.6785 37.8778 14.7268 37.2882 -69.785 9.25253 18.9069 10.9007 10.1134 TIMING: 1289400 CPU: 4143.96, 0.00312406/step Wall: 4143.96, 0.00312406/step, 3.22003 hours remaining, 232.785156 MB of memory in use. ENERGY: 1289400 4000.0593 20399.5469 14427.6869 224.9692 -202871.6554 2294.8556 0.0000 0.0000 51956.5773 -109567.9602 298.5952 -161524.5375 -109202.7853 299.0428 -17.5673 18.1775 760106.9653 -0.5665 -0.6644 PRESSURE: 1289600 -344.066 -14.1409 -148.231 -14.1398 -166.192 -107.842 -148.231 -107.842 -185.604 GPRESSURE: 1289600 -327.734 -56.9053 -119.74 3.45502 -79.1799 -121.107 -33.3943 -131.681 -203.363 PRESSAVG: 1289600 29.2297 19.6684 1.01158 19.6685 -64.8458 -35.1438 1.01162 -35.1438 3.31942 GPRESSAVG: 1289600 30.3667 17.5163 0.890848 20.8943 -65.1604 -35.9355 1.65351 -34.5772 2.77766 TIMING: 1289600 CPU: 4144.59, 0.00311914/step Wall: 4144.59, 0.00311914/step, 3.2148 hours remaining, 232.785156 MB of memory in use. ENERGY: 1289600 4062.6592 20513.1568 14404.5722 241.8908 -203310.7721 2368.9215 0.0000 0.0000 52006.5144 -109713.0571 298.8822 -161719.5715 -109350.1320 298.9860 -231.9539 -203.4257 760734.8379 -10.7656 -10.6720 PRESSURE: 1289800 92.2184 -155.722 -189.448 -155.722 -153.45 11.0775 -189.449 11.077 -274.357 GPRESSURE: 1289800 116.045 -123.233 -126.813 9.06427 -141.962 181.659 -152.867 -177.405 -238.258 PRESSAVG: 1289800 27.2148 -74.2716 29.2779 -74.2716 -50.0635 -2.70371 29.2778 -2.70375 17.5262 GPRESSAVG: 1289800 25.8319 -71.5255 30.1361 -75.0605 -49.7166 -0.227564 29.8876 -2.95144 18.5022 TIMING: 1289800 CPU: 4145.21, 0.0031121/step Wall: 4145.21, 0.0031121/step, 3.20736 hours remaining, 232.785156 MB of memory in use. ENERGY: 1289800 3964.6114 20480.9666 14453.8368 253.7302 -203584.0721 2518.9597 0.0000 0.0000 51900.0015 -110011.9660 298.2700 -161911.9674 -109652.4707 298.6390 -111.8629 -88.0583 760345.8616 -1.7742 -1.7941 PRESSURE: 1290000 -37.7633 -98.8226 -175.27 -98.8227 -94.3251 138.684 -175.27 138.683 149.048 GPRESSURE: 1290000 -14.186 -50.3462 -203.602 -124.135 -50.6973 142.962 -142.534 117.413 150.405 PRESSAVG: 1290000 61.2822 -58.3718 -16.0929 -58.3718 -91.515 -41.3299 -16.0929 -41.3299 -2.18204 GPRESSAVG: 1290000 61.7945 -60.7568 -16.86 -58.7974 -90.7729 -41.9192 -16.4984 -42.2274 -3.08235 TIMING: 1290000 CPU: 4145.83, 0.00312315/step Wall: 4145.83, 0.00312315/step, 3.21858 hours remaining, 232.785156 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: 1290000 3988.4779 20423.5235 14408.6745 254.3740 -203374.1039 2525.0490 0.0000 0.0000 51999.5277 -109774.4773 298.8420 -161774.0050 -109408.9651 299.0004 5.6531 28.5071 761378.1171 -10.8050 -10.6869 PRESSURE: 1290200 -525.937 -12.4639 79.8752 -12.4643 -213.223 -198.844 79.8756 -198.843 -451.84 GPRESSURE: 1290200 -434.63 -36.1726 80.2272 -42.9134 -194.123 -190.412 115.046 -185.092 -485.117 PRESSAVG: 1290200 9.48619 9.90176 -35.1757 9.90174 20.4029 11.6066 -35.1756 11.6066 12.1444 GPRESSAVG: 1290200 9.16441 11.2674 -35.1741 8.14014 20.9031 12.7595 -35.5837 10.4062 12.0619 TIMING: 1290200 CPU: 4146.46, 0.00312239/step Wall: 4146.46, 0.00312239/step, 3.21762 hours remaining, 232.785156 MB of memory in use. ENERGY: 1290200 4006.0028 20600.2965 14420.9102 239.3675 -203462.5225 2489.7747 0.0000 0.0000 51865.5013 -109840.6695 298.0717 -161706.1709 -109479.8626 298.7440 -397.0000 -371.2902 762954.6136 14.0112 14.0431 PRESSURE: 1290400 -96.9864 -23.7664 -18.6123 -23.7656 -176.664 -83.1503 -18.6115 -83.1501 -115.665 GPRESSURE: 1290400 -103.648 -96.0011 63.6683 6.3625 -158.569 -95.7175 -69.111 -50.2458 -31.3255 PRESSAVG: 1290400 57.5104 -39.3128 39.5368 -39.3128 8.37724 14.2742 39.5369 14.2741 11.1788 GPRESSAVG: 1290400 58.5598 -41.8016 38.2759 -36.1956 8.1608 12.1691 39.7102 15.5089 10.4872 TIMING: 1290400 CPU: 4147.08, 0.00311018/step Wall: 4147.08, 0.00311018/step, 3.20487 hours remaining, 232.785156 MB of memory in use. ENERGY: 1290400 3909.3519 20633.6041 14452.0148 229.2082 -203400.8698 2527.5786 0.0000 0.0000 51618.3611 -110030.7510 296.6514 -161649.1121 -109664.2233 298.4252 -129.7718 -97.8475 760657.2379 25.6888 25.7359 PRESSURE: 1290600 302.564 -36.452 182.682 -36.4528 -98.0345 -188.536 182.682 -188.537 322.248 GPRESSURE: 1290600 349.29 5.20486 155.322 -59.8542 -42.1604 -100.803 94.7007 -215.658 320.394 PRESSAVG: 1290600 6.33442 -57.687 -9.63224 -57.6871 -5.88068 5.59642 -9.63228 5.59639 -2.5593 GPRESSAVG: 1290600 6.36439 -55.6695 -8.66491 -60.5716 -5.9075 6.81546 -10.65 6.04168 -2.15204 TIMING: 1290600 CPU: 4147.71, 0.00312906/step Wall: 4147.71, 0.00312906/step, 3.22415 hours remaining, 232.785156 MB of memory in use. ENERGY: 1290600 3936.3640 20505.7206 14415.4147 235.3205 -203235.1652 2421.1164 0.0000 0.0000 52041.5254 -109679.7036 299.0834 -161721.2289 -109308.0701 298.3144 175.5928 209.1746 760186.7494 -0.7019 -0.5650 PRESSURE: 1290800 -691.353 -112.993 -83.1926 -112.994 -161.65 33.5278 -83.1932 33.5278 -289.451 GPRESSURE: 1290800 -608.336 -154.432 -6.59569 -3.40241 -214.603 29.1602 -109.03 -24.1511 -219.25 PRESSAVG: 1290800 20.8173 -9.22053 13.1819 -9.22057 -32.6173 -54.0986 13.1819 -54.0986 15.2434 GPRESSAVG: 1290800 20.2909 -9.27231 14.0101 -9.25987 -31.9262 -52.956 12.8737 -55.8232 15.4385 TIMING: 1290800 CPU: 4148.33, 0.00312704/step Wall: 4148.33, 0.00312704/step, 3.22189 hours remaining, 232.785156 MB of memory in use. ENERGY: 1290800 4100.3323 20592.8875 14356.3654 250.7876 -203755.8099 2549.2553 0.0000 0.0000 52161.3187 -109744.8632 299.7718 -161906.1819 -109386.5110 298.7281 -380.8179 -347.3964 762955.0802 1.1478 1.2677 PRESSURE: 1291000 189.281 -223.018 111.369 -223.019 -79.0167 134.385 111.369 134.387 248.84 GPRESSURE: 1291000 81.0387 -265.993 135.508 -133.718 103.306 132.423 136.057 225.218 261.226 PRESSAVG: 1291000 9.54514 -34.8211 -11.9414 -34.8212 -73.4924 -41.9567 -11.9414 -41.9567 -2.33909 GPRESSAVG: 1291000 9.28343 -33.2577 -11.9752 -35.0462 -72.6978 -41.9677 -9.38714 -41.0873 -2.69949 TIMING: 1291000 CPU: 4148.96, 0.00312931/step Wall: 4148.96, 0.00312931/step, 3.22405 hours remaining, 232.785156 MB of memory in use. ENERGY: 1291000 4007.5452 20572.2384 14458.7712 252.3945 -203935.8689 2947.8370 0.0000 0.0000 51966.1176 -109730.9649 298.6500 -161697.0825 -109366.3882 298.7473 119.7014 148.5237 761211.9247 -22.0954 -22.0380 PRESSURE: 1291200 360.257 -160.565 -43.4544 -160.565 107.526 67.8571 -43.4539 67.8571 601.744 GPRESSURE: 1291200 352.706 -141.186 -25.5927 -60.1921 237.634 64.4412 -18.6499 60.1956 572.693 PRESSAVG: 1291200 -1.19539 -33.9921 -16.7486 -33.9922 17.5909 -19.3381 -16.7486 -19.3381 -15.6398 GPRESSAVG: 1291200 -2.38603 -34.7036 -18.4843 -33.0635 17.9045 -21.4122 -18.5767 -17.0577 -15.1637 TIMING: 1291200 CPU: 4149.58, 0.00312821/step Wall: 4149.58, 0.00312821/step, 3.22275 hours remaining, 232.785156 MB of memory in use. ENERGY: 1291200 3927.1960 20597.7917 14443.6738 240.3034 -204126.9196 2988.9951 0.0000 0.0000 52248.2031 -109680.7567 300.2711 -161928.9597 -109309.2407 299.0669 356.5091 387.6777 760307.1043 0.2519 0.1182 PRESSURE: 1291400 311.642 61.0379 -212.461 61.0373 -139.335 154.328 -212.461 154.329 81.0726 GPRESSURE: 1291400 340.04 60.7566 -157.329 61.6749 -116.111 257.472 -70.7525 81.0666 120.374 PRESSAVG: 1291400 25.3079 -53.2026 19.7629 -53.2026 -26.169 -3.42187 19.7629 -3.42182 8.50753 GPRESSAVG: 1291400 26.3536 -53.1387 21.649 -54.1971 -28.2792 -3.69886 22.2088 -3.47033 9.13445 TIMING: 1291400 CPU: 4150.21, 0.00314322/step Wall: 4150.21, 0.00314323/step, 3.23805 hours remaining, 232.785156 MB of memory in use. ENERGY: 1291400 3953.7387 20674.9368 14423.8217 251.0481 -203708.6810 2634.4675 0.0000 0.0000 51867.1403 -109903.5279 298.0812 -161770.6682 -109540.0548 298.4137 84.4598 114.7677 760993.9852 2.5488 2.4029 PRESSURE: 1291600 82.5721 72.8832 133.668 72.8833 47.9244 56.5337 133.667 56.534 -410.228 GPRESSURE: 1291600 42.0063 27.3397 85.7598 -23.168 109.24 43.8078 39.9737 151.891 -356.158 PRESSAVG: 1291600 18.0671 -39.8001 -19.1488 -39.8001 -12.2923 16.8445 -19.1488 16.8446 29.6095 GPRESSAVG: 1291600 17.5945 -39.9624 -19.0746 -41.1299 -11.027 18.0158 -23.4493 14.5799 28.498 TIMING: 1291600 CPU: 4150.84, 0.00315839/step Wall: 4150.84, 0.00315839/step, 3.25349 hours remaining, 232.785156 MB of memory in use. ENERGY: 1291600 3987.5566 20550.5878 14427.4226 255.1621 -203640.5963 2787.6346 0.0000 0.0000 51941.2984 -109690.9341 298.5074 -161632.2325 -109322.7382 298.9601 -93.2439 -68.3039 760895.0001 11.7948 11.6885 PRESSURE: 1291800 -41.4029 -18.4254 -108.798 -18.4256 -357.893 96.9506 -108.797 96.9496 56.2495 GPRESSURE: 1291800 1.8823 184.434 -166.366 61.7452 -328.238 100.527 63.2388 158.988 69.8833 PRESSAVG: 1291800 36.8098 -12.9662 32.8433 -12.9663 -48.2319 17.439 32.8433 17.4391 -20.7077 GPRESSAVG: 1291800 36.5671 -14.7743 32.7201 -11.5446 -47.8626 15.3659 35.3144 19.0389 -20.7958 TIMING: 1291800 CPU: 4151.47, 0.00315754/step Wall: 4151.47, 0.00315754/step, 3.25244 hours remaining, 232.785156 MB of memory in use. ENERGY: 1291800 4058.4479 20436.6209 14437.1301 226.2384 -203851.7033 2770.3330 0.0000 0.0000 51921.9755 -110000.9574 298.3963 -161922.9329 -109638.2811 298.3507 -114.3489 -85.4907 761087.8639 -10.7099 -10.6971 PRESSURE: 1292000 362.891 88.1785 -137.339 88.1787 428.954 51.1477 -137.339 51.1474 225.861 GPRESSURE: 1292000 311.113 -54.2536 -141.136 192.062 496.455 13.4562 -132.822 50.0086 286.188 PRESSAVG: 1292000 38.5183 -9.99657 33.0179 -9.99657 3.83781 7.65059 33.018 7.65056 4.12805 GPRESSAVG: 1292000 38.5942 -9.64266 32.3897 -8.93357 2.91502 9.11869 33.1812 8.85239 4.83335 TIMING: 1292000 CPU: 4152.11, 0.00315643/step Wall: 4152.11, 0.00315643/step, 3.25112 hours remaining, 232.785156 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: 1292000 3907.4357 20385.7578 14482.0506 250.0438 -203997.8515 2934.3165 0.0000 0.0000 51972.0094 -110066.2378 298.6839 -162038.2471 -109700.7500 298.5018 339.2351 364.5851 759799.4762 15.4947 15.4475 PRESSURE: 1292200 -75.8097 -43.7704 171.075 -43.7707 -238.804 -264.217 171.074 -264.217 -498.789 GPRESSURE: 1292200 -34.4655 -32.8498 243.162 -69.0284 -203.428 -255.983 98.3361 -179.323 -488.863 PRESSAVG: 1292200 -51.1556 -0.65394 -14.1723 -0.65391 -30.4396 26.5394 -14.1723 26.5393 -3.71767 GPRESSAVG: 1292200 -51.9202 -2.22345 -13.2321 -0.401122 -30.3601 27.2254 -16.0623 24.786 -2.81199 TIMING: 1292200 CPU: 4152.74, 0.00317403/step Wall: 4152.74, 0.00317403/step, 3.26907 hours remaining, 232.785156 MB of memory in use. ENERGY: 1292200 3994.5807 20305.5887 14402.3085 247.2127 -203765.2593 2695.1788 0.0000 0.0000 52023.1403 -110097.2498 298.9777 -162120.3900 -109738.0451 298.2758 -271.1344 -242.2519 762305.4477 -28.4376 -28.3641 LDB: ============= START OF LOAD BALANCING ============== 4165.16 LDB: ============== END OF LOAD BALANCING =============== 4165.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4165.16 LDB: ============= START OF LOAD BALANCING ============== 4165.48 LDB: Largest compute 7078 load 0.035067 is 18.0% of average load 0.195175 LDB: Average compute 0.004406 is 2.3% of average load 0.195175 LDB: TIME 4165.48 LOAD: AVG 0.195175 MAX 0.21279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.586 MB LDB: TIME 4165.48 LOAD: AVG 0.195175 MAX 0.21279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.586 MB LDB: TIME 4165.48 LOAD: AVG 0.195175 MAX 0.21279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.586 MB LDB: ============== END OF LOAD BALANCING =============== 4165.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4165.49 PRESSURE: 1292400 -100.923 -119.44 96.3998 -119.441 -140.697 69.5699 96.399 69.5698 -20.2938 GPRESSURE: 1292400 -119.869 -141.517 165.788 5.44491 -31.4151 85.0968 147.491 61.1772 -12.3969 PRESSAVG: 1292400 -56.1839 -17.9436 -28.7319 -17.9436 18.5227 21.0896 -28.7319 21.0896 6.07027 GPRESSAVG: 1292400 -54.8808 -17.4049 -29.7181 -19.843 18.7037 20.5328 -27.2384 22.141 4.22376 TIMING: 1292400 CPU: 4153.38, 0.00321722/step Wall: 4153.38, 0.00321722/step, 3.31338 hours remaining, 232.128906 MB of memory in use. ENERGY: 1292400 3975.9752 20498.5731 14417.7266 257.0873 -204131.8606 2910.7775 0.0000 0.0000 51849.3707 -110222.3501 297.9790 -162071.7208 -109861.8492 298.1153 -87.3048 -54.5603 760900.9612 -10.5303 -10.6511 PRESSURE: 1292600 -202.269 221.752 33.6238 221.752 178.404 44.3286 33.6234 44.3286 -200.184 GPRESSURE: 1292600 -144.251 189.567 57.3478 162.427 163.746 27.084 69.0872 -126.867 -132.699 PRESSAVG: 1292600 -42.2835 20.19 -26.2915 20.19 39.5884 -4.07013 -26.2916 -4.07009 19.8648 GPRESSAVG: 1292600 -43.1718 19.732 -25.7729 22.5585 39.0931 -4.96593 -24.9424 -7.22191 21.4553 TIMING: 1292600 CPU: 4154.01, 0.00312381/step Wall: 4154.01, 0.00312381/step, 3.217 hours remaining, 232.332031 MB of memory in use. ENERGY: 1292600 3905.2526 20461.1824 14362.3425 257.6163 -203872.6998 2772.3174 0.0000 0.0000 51906.1915 -110207.7970 298.3056 -162113.9886 -109841.3234 298.1237 -74.6828 -37.7346 761097.4157 5.7232 5.7922 PRESSURE: 1292800 -469.436 -22.7385 -21.9472 -22.7387 -284.842 110.789 -21.9475 110.789 -441.882 GPRESSURE: 1292800 -459.268 -45.0764 21.3393 -98.7334 -301.152 175.821 -73.989 187.22 -374.457 PRESSAVG: 1292800 13.7387 -55.3331 -2.18961 -55.3331 9.59932 -6.12689 -2.1896 -6.12689 -7.02899 GPRESSAVG: 1292800 15.0125 -55.1304 -0.91082 -56.1387 9.06856 -6.06704 -4.36402 -2.86866 -7.27827 TIMING: 1292800 CPU: 4154.63, 0.0031136/step Wall: 4154.63, 0.0031136/step, 3.20632 hours remaining, 232.332031 MB of memory in use. ENERGY: 1292800 4036.2942 20490.8485 14476.9567 241.7346 -203651.5311 2480.7479 0.0000 0.0000 51807.5998 -110117.3493 297.7390 -161924.9491 -109755.0290 297.9234 -398.7201 -378.2924 763060.9740 5.4363 5.6009 PRESSURE: 1293000 -131.809 22.4576 -86.8244 22.4572 34.0934 189.125 -86.8245 189.125 153.295 GPRESSURE: 1293000 -53.554 146.596 -40.6968 103.075 -49.5442 190.997 -123.357 86.3017 250.16 PRESSAVG: 1293000 -26.3516 56.9681 -26.3623 56.9681 35.0728 7.35864 -26.3622 7.35855 5.17921 GPRESSAVG: 1293000 -27.8992 55.6557 -26.1894 56.7019 35.962 6.2367 -25.0266 8.27728 5.82398 TIMING: 1293000 CPU: 4155.26, 0.00312787/step Wall: 4155.26, 0.00312787/step, 3.22084 hours remaining, 232.535156 MB of memory in use. ENERGY: 1293000 3989.7541 20542.1983 14363.8871 229.9995 -203375.4753 2431.7457 0.0000 0.0000 51758.1657 -110059.7249 297.4549 -161817.8906 -109710.5627 298.2267 18.5264 49.0205 760583.4783 4.6335 4.6289 PRESSURE: 1293200 -274.712 72.4676 -17.0019 72.4675 -265.21 -55.8168 -17.0022 -55.8159 -172.86 GPRESSURE: 1293200 -254.908 87.3183 -19.4737 -6.01511 -155.421 12.4156 -9.30611 -169.518 -203.519 PRESSAVG: 1293200 -8.00639 -9.24132 -8.14831 -9.24126 51.0582 30.6324 -8.14829 30.6323 -15.838 GPRESSAVG: 1293200 -7.41034 -7.40891 -9.0962 -9.52754 51.5247 32.372 -9.07647 27.7604 -17.4215 TIMING: 1293200 CPU: 4155.88, 0.00312718/step Wall: 4155.88, 0.00312718/step, 3.21996 hours remaining, 232.535156 MB of memory in use. ENERGY: 1293200 4003.3031 20441.5119 14473.7687 227.2143 -203397.7658 2461.1387 0.0000 0.0000 51744.2059 -110046.6232 297.3747 -161790.8291 -109682.7174 298.1432 -237.5939 -204.6160 760015.8500 9.0712 8.8976 PRESSURE: 1293400 -187.867 -83.5592 -61.3802 -83.5595 -215.668 106.89 -61.3794 106.889 -182.116 GPRESSURE: 1293400 -164.686 -74.1184 -48.5454 -40.033 -179.261 121.005 -21.0658 180.131 -142.753 PRESSAVG: 1293400 -15.4796 5.45716 -19.5634 5.45716 -30.405 3.99578 -19.5634 3.99575 -16.9352 GPRESSAVG: 1293400 -16.5682 7.68983 -18.8615 3.94347 -29.4589 4.296 -20.1765 5.45239 -17.302 TIMING: 1293400 CPU: 4156.51, 0.00312105/step Wall: 4156.51, 0.00312105/step, 3.21347 hours remaining, 232.535156 MB of memory in use. ENERGY: 1293400 3988.1780 20333.5003 14445.8105 247.9898 -203126.6213 2329.8341 0.0000 0.0000 51829.5759 -109951.7327 297.8653 -161781.3086 -109596.7301 298.1072 -195.2173 -162.2335 761216.1477 -20.9399 -21.1097 PRESSURE: 1293600 -223.734 203.687 -15.9118 203.688 -612.349 290.465 -15.912 290.465 -523.681 GPRESSURE: 1293600 -158.104 182.694 -92.4371 182.867 -581.472 266.868 121.968 123.334 -546.21 PRESSAVG: 1293600 17.2167 -62.4555 3.76112 -62.4556 9.68103 50.419 3.76105 50.419 11.6463 GPRESSAVG: 1293600 18.4528 -64.2289 1.74067 -61.2314 7.23013 50.4942 5.79678 49.6296 12.4409 TIMING: 1293600 CPU: 4157.13, 0.00313594/step Wall: 4157.13, 0.00313594/step, 3.22863 hours remaining, 232.535156 MB of memory in use. ENERGY: 1293600 4098.8869 20444.3528 14488.0410 237.9477 -203327.9739 2349.9698 0.0000 0.0000 51793.6659 -109915.1099 297.6589 -161708.7758 -109555.4796 298.4536 -453.2551 -428.5953 761751.6252 12.8480 12.7079 PRESSURE: 1293800 -411.191 -4.66609 299.309 -4.66631 -567.997 -65.8533 299.309 -65.8537 41.5969 GPRESSURE: 1293800 -386.072 1.25372 307.55 -51.5223 -463.623 -79.4005 203.098 -15.1667 5.14187 PRESSAVG: 1293800 18.605 10.1994 22.4837 10.1994 -21.0567 23.7092 22.4838 23.7091 0.347495 GPRESSAVG: 1293800 17.3286 10.7689 24.6653 9.94951 -20.5351 21.719 18.4519 23.882 1.04284 TIMING: 1293800 CPU: 4157.76, 0.00312481/step Wall: 4157.76, 0.00312481/step, 3.21699 hours remaining, 232.535156 MB of memory in use. ENERGY: 1293800 4062.6972 20159.4502 14472.7407 233.9622 -203105.1160 2459.5928 0.0000 0.0000 52014.7616 -109701.9113 298.9295 -161716.6729 -109338.9521 298.7601 -312.5302 -281.5178 761127.8917 -0.7014 -0.7212 PRESSURE: 1294000 -419.936 -244.177 121.093 -244.177 -297.605 73.6619 121.093 73.6613 -190.73 GPRESSURE: 1294000 -364.174 -158.932 130.408 -128.713 -215.02 66.3272 53.4486 71.8907 -244.747 PRESSAVG: 1294000 20.3376 -36.1223 -12.2913 -36.1222 -60.9128 88.3436 -12.2913 88.3437 1.86044 GPRESSAVG: 1294000 19.5811 -36.1978 -14.664 -32.9323 -59.9797 88.9861 -8.7598 91.0054 1.86786 TIMING: 1294000 CPU: 4158.39, 0.00314206/step Wall: 4158.39, 0.00314206/step, 3.23457 hours remaining, 232.535156 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: 1294000 4029.4476 20362.5504 14476.3015 245.4075 -203103.2755 2211.3365 0.0000 0.0000 52210.2954 -109567.9365 300.0533 -161778.2319 -109202.0731 298.7823 -302.7567 -274.6470 762461.5695 -12.9049 -12.8436 PRESSURE: 1294200 -236.503 -38.694 45.7701 -38.6933 -219.092 152.253 45.7701 152.254 188.436 GPRESSURE: 1294200 -67.8297 -116.874 -8.7688 -139.688 -281.595 104.754 -39.1267 -4.89709 161.159 PRESSAVG: 1294200 30.0571 -27.0187 -15.8253 -27.0187 -25.4129 -8.32709 -15.8253 -8.32715 3.65186 GPRESSAVG: 1294200 30.863 -27.3837 -13.6542 -30.697 -25.7088 -8.28006 -16.5076 -8.85035 2.82164 TIMING: 1294200 CPU: 4159.02, 0.00315074/step Wall: 4159.02, 0.00315074/step, 3.24334 hours remaining, 232.535156 MB of memory in use. ENERGY: 1294200 4000.5734 20364.4557 14494.4120 225.8387 -203047.7346 2519.6938 0.0000 0.0000 51901.8779 -109540.8832 298.2808 -161442.7611 -109178.7961 298.5680 -89.0530 -62.7554 763110.7464 2.7653 2.6586 PRESSURE: 1294400 -107.375 -138.28 86.1301 -138.28 -93.8373 -105.062 86.1305 -105.062 90.5498 GPRESSURE: 1294400 13.8346 -117.124 102.095 -174.428 -157.589 -77.2804 94.3257 -15.738 127.502 PRESSAVG: 1294400 -15.5136 -52.1312 19.684 -52.1313 17.8632 -35.2462 19.684 -35.2462 -4.21979 GPRESSAVG: 1294400 -14.9922 -50.9711 18.3945 -51.3432 16.9278 -35.9421 19.7879 -35.9275 -3.3173 TIMING: 1294400 CPU: 4159.64, 0.00314031/step Wall: 4159.64, 0.00314031/step, 3.23243 hours remaining, 232.535156 MB of memory in use. ENERGY: 1294400 3982.9296 20476.2660 14405.9411 244.0871 -203214.2032 2513.1392 0.0000 0.0000 52217.7766 -109374.0636 300.0963 -161591.8402 -109017.2790 298.7377 -36.8876 -5.4174 762010.7100 -0.6234 -0.4606 PRESSURE: 1294600 -140.152 94.5527 109.516 94.553 -26.4076 66.7594 109.516 66.7606 -229.417 GPRESSURE: 1294600 -125.771 202.099 133.75 -39.1279 15.541 -5.11178 3.9453 137.126 -207.627 PRESSAVG: 1294600 53.4331 -34.0382 9.53764 -34.0382 -32.7653 36.8327 9.53767 36.8328 -6.50107 GPRESSAVG: 1294600 53.2644 -34.0527 11.8397 -34.9825 -32.305 36.5798 9.79813 36.7486 -7.47214 TIMING: 1294600 CPU: 4160.27, 0.00314857/step Wall: 4160.27, 0.00314857/step, 3.24075 hours remaining, 232.535156 MB of memory in use. ENERGY: 1294600 3948.7394 20475.4250 14477.7367 237.9963 -202992.2915 2447.9499 0.0000 0.0000 52248.8311 -109155.6130 300.2748 -161404.4442 -108786.1551 299.6135 -131.9922 -105.9524 762489.4122 4.7223 4.4957 PRESSURE: 1294800 48.6945 164.05 -5.74127 164.05 -235.371 -133.523 -5.74049 -133.522 -38.4426 GPRESSURE: 1294800 103.957 109.395 26.3356 240.386 -232.576 -183.039 128.159 -60.8972 -11.1551 PRESSAVG: 1294800 15.2827 -87.0145 -18.7702 -87.0145 -11.3 8.23662 -18.7701 8.23661 14.0028 GPRESSAVG: 1294800 15.6843 -87.6148 -20.216 -85.1493 -10.2219 10.3341 -17.6841 8.24807 12.629 TIMING: 1294800 CPU: 4160.91, 0.00315358/step Wall: 4160.91, 0.00315358/step, 3.24573 hours remaining, 232.535156 MB of memory in use. ENERGY: 1294800 4007.6947 20546.5003 14475.0044 229.3967 -203196.1933 2635.4527 0.0000 0.0000 51956.8712 -109345.2733 298.5969 -161302.1446 -108987.8433 299.9359 -75.0397 -46.5912 761067.7984 5.9952 6.0304 PRESSURE: 1295000 -183.417 50.8296 174.364 50.8296 108.67 128.31 174.364 128.309 -557.731 GPRESSURE: 1295000 -140.799 -62.1808 237.278 83.1769 124.282 224.81 128.048 82.2639 -535.773 PRESSAVG: 1295000 8.46386 -11.021 38.9619 -11.0209 4.03108 -14.1989 38.9619 -14.1989 -14.9003 GPRESSAVG: 1295000 8.64107 -11.3755 38.5276 -14.0369 3.22405 -15.791 40.2867 -14.0144 -14.4076 TIMING: 1295000 CPU: 4161.54, 0.00314907/step Wall: 4161.54, 0.00314907/step, 3.24092 hours remaining, 232.535156 MB of memory in use. ENERGY: 1295000 3972.2476 20471.6675 14499.5456 222.8247 -202765.2514 2211.5060 0.0000 0.0000 51997.3318 -109390.1282 298.8294 -161387.4600 -109035.3151 299.4452 -210.8260 -184.0965 761898.2456 -0.8018 -0.8475 PRESSURE: 1295200 77.4395 -54.8049 200.883 -54.8055 -470.827 72.0659 200.883 72.0669 -478.335 GPRESSURE: 1295200 43.0319 -93.5995 298.282 -68.997 -399.884 37.9317 84.4057 127.839 -423.638 PRESSAVG: 1295200 11.8739 -23.8119 9.5934 -23.8119 5.91753 1.80203 9.59338 1.802 -4.14958 GPRESSAVG: 1295200 11.0901 -24.2479 11.7726 -20.7551 6.67905 1.92901 7.3315 2.73542 -4.08876 TIMING: 1295200 CPU: 4162.17, 0.00315394/step Wall: 4162.17, 0.00315394/step, 3.24575 hours remaining, 232.535156 MB of memory in use. ENERGY: 1295200 4031.5783 20483.5023 14538.3697 231.0078 -203091.7454 2484.3543 0.0000 0.0000 51996.3827 -109326.5503 298.8239 -161322.9329 -108971.4502 299.2264 -290.5742 -260.1634 763314.2111 4.5473 4.5601 PRESSURE: 1295400 163.743 -77.5153 6.88824 -77.5152 101.436 -24.2308 6.88762 -24.2304 -21.5202 GPRESSURE: 1295400 229.863 -55.8083 8.9308 -184.409 70.7954 -34.4501 26.8432 -95.23 28.2296 PRESSAVG: 1295400 26.2545 17.6572 40.9594 17.6572 9.97519 -0.0529801 40.9594 -0.0530181 -15.3337 GPRESSAVG: 1295400 25.6551 18.3985 39.7924 17.6128 10.782 1.28303 42.4224 -1.92817 -15.6722 TIMING: 1295400 CPU: 4162.79, 0.00314448/step Wall: 4162.79, 0.00314448/step, 3.23585 hours remaining, 232.535156 MB of memory in use. ENERGY: 1295400 3939.7775 20489.3220 14381.4796 254.9491 -203320.6313 2589.4115 0.0000 0.0000 52193.4907 -109472.2009 299.9567 -161665.6916 -109110.0595 299.2542 81.2196 109.6294 760773.1161 6.9653 6.9216 PRESSURE: 1295600 83.6163 -56.7674 -145.132 -56.7667 93.1485 168.161 -145.133 168.162 88.6798 GPRESSURE: 1295600 87.1022 -3.60749 -185.193 -75.0914 174.519 134.034 -114.654 141.154 92.4743 PRESSAVG: 1295600 44.1782 -54.0947 35.6867 -54.0948 -40.1562 -15.8206 35.6867 -15.8206 -8.4618 GPRESSAVG: 1295600 45.5401 -55.0948 34.4245 -55.0739 -41.299 -15.555 36.0769 -16.4409 -8.35893 TIMING: 1295600 CPU: 4163.42, 0.00313648/step Wall: 4163.42, 0.00313648/step, 3.22743 hours remaining, 232.535156 MB of memory in use. ENERGY: 1295600 3958.2694 20570.5156 14447.5747 244.9543 -203357.0477 2434.5764 0.0000 0.0000 52125.3555 -109575.8018 299.5651 -161701.1573 -109214.4891 299.4431 88.4815 118.0317 761191.4370 -1.4799 -1.3726 PRESSURE: 1295800 396.166 24.7551 76.9956 24.7553 -100.517 31.6351 76.9955 31.6356 0.805954 GPRESSURE: 1295800 324.922 80.246 122.186 131.925 -25.9092 49.6025 123.448 -67.6802 46.5823 PRESSAVG: 1295800 -28.2213 -105.224 19.0804 -105.224 52.0977 11.9717 19.0805 11.9718 -8.59589 GPRESSAVG: 1295800 -28.4724 -104.75 20.4852 -104.311 52.3153 11.1641 17.1892 12.334 -8.38688 TIMING: 1295800 CPU: 4164.05, 0.00314812/step Wall: 4164.05, 0.00314812/step, 3.23925 hours remaining, 232.535156 MB of memory in use. ENERGY: 1295800 3974.8776 20521.1736 14472.2726 243.4804 -203635.3684 2735.4623 0.0000 0.0000 51888.4978 -109799.6040 298.2039 -161688.1018 -109432.4841 299.1256 98.8185 115.1982 760303.1998 5.0935 5.1520 PRESSURE: 1296000 -378.434 -192.29 23.4893 -192.29 -63.5879 -48.556 23.489 -48.5555 -142.961 GPRESSURE: 1296000 -283.639 -134.971 4.0028 -173.823 -86.424 11.0488 -4.5583 5.39368 -130.832 PRESSAVG: 1296000 5.63328 19.5204 -25.7498 19.5204 -16.3965 -16.5967 -25.7499 -16.5966 8.98755 GPRESSAVG: 1296000 4.85543 22.5166 -27.6285 17.8454 -16.3831 -16.7289 -23.3962 -16.318 10.1055 TIMING: 1296000 CPU: 4164.68, 0.00315944/step Wall: 4164.68, 0.00315944/step, 3.25072 hours remaining, 232.535156 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: 1296000 4006.8070 20454.0622 14475.4875 252.6569 -203609.9458 2291.4383 0.0000 0.0000 52188.2536 -109941.2402 299.9266 -162129.4938 -109582.1058 298.6471 -194.9940 -166.9651 760834.4308 -0.5919 -0.4741 PRESSURE: 1296200 87.0297 -83.5825 -171.731 -83.583 342.634 84.8608 -171.731 84.8614 163.294 GPRESSURE: 1296200 161.705 -24.7797 -190.642 -35.1013 338.074 53.6705 -253.246 83.6405 182.675 PRESSAVG: 1296200 21.5058 -23.7865 -25.5405 -23.7865 -2.80511 -62.9303 -25.5404 -62.9303 22.5023 GPRESSAVG: 1296200 22.2995 -25.94 -24.4556 -22.291 -2.79804 -64.1987 -26.2593 -62.4471 21.1753 TIMING: 1296200 CPU: 4165.31, 0.00314533/step Wall: 4165.31, 0.00314533/step, 3.23602 hours remaining, 232.535156 MB of memory in use. ENERGY: 1296200 4003.9950 20575.9000 14544.3952 247.1571 -203996.9357 2906.4529 0.0000 0.0000 51839.3499 -109879.6856 297.9215 -161719.0355 -109533.4405 298.9088 197.6527 227.4845 759173.6709 13.7343 13.5589 LDB: ============= START OF LOAD BALANCING ============== 4177.73 LDB: ============== END OF LOAD BALANCING =============== 4177.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4177.73 LDB: ============= START OF LOAD BALANCING ============== 4178.05 LDB: Largest compute 7038 load 0.033957 is 17.4% of average load 0.195267 LDB: Average compute 0.004379 is 2.2% of average load 0.195267 LDB: TIME 4178.05 LOAD: AVG 0.195267 MAX 0.212491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.047 MB LDB: TIME 4178.05 LOAD: AVG 0.195267 MAX 0.212491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: TIME 4178.05 LOAD: AVG 0.195267 MAX 0.212491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.25 MB LDB: ============== END OF LOAD BALANCING =============== 4178.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4178.06 Info: useSync: 0 useProxySync: 0 PRESSURE: 1296400 161.285 34.8243 127.737 34.8235 -169.611 -331.382 127.737 -331.38 174.065 GPRESSURE: 1296400 59.877 -132.397 198.289 145.086 -59.4642 -279.62 72.708 -278.19 246.262 PRESSAVG: 1296400 60.0934 14.8592 -27.0336 14.8592 -24.9144 -101.21 -27.0336 -101.21 -15.9967 GPRESSAVG: 1296400 58.704 14.0832 -26.5266 13.3451 -23.8975 -101.792 -28.366 -100.866 -15.438 TIMING: 1296400 CPU: 4165.95, 0.00320688/step Wall: 4165.95, 0.00320688/step, 3.29917 hours remaining, 232.644531 MB of memory in use. ENERGY: 1296400 3944.5055 20487.7895 14511.7246 254.1277 -203426.2142 2490.1431 0.0000 0.0000 51848.0262 -109889.8976 297.9713 -161737.9237 -109531.4663 298.4386 55.2461 82.2251 759733.0113 6.3941 6.4561 PRESSURE: 1296600 50.5514 64.5964 195.645 64.5961 -134.969 -207.288 195.645 -207.287 180.114 GPRESSURE: 1296600 101.798 107.722 72.8056 33.9156 -52.7828 -161.956 219.47 -246.647 118.28 PRESSAVG: 1296600 100.166 -4.4928 -11.3032 -4.49281 -30.7713 24.9849 -11.3032 24.9849 34.9379 GPRESSAVG: 1296600 101.988 -3.60851 -13.6228 -1.71781 -31.7491 26.6398 -10.1973 22.3617 34.5144 TIMING: 1296600 CPU: 4166.58, 0.00312091/step Wall: 4166.58, 0.00312091/step, 3.21055 hours remaining, 232.917969 MB of memory in use. ENERGY: 1296600 4026.7469 20551.0677 14432.1482 239.9392 -204075.9315 2747.4421 0.0000 0.0000 52252.1248 -109826.4625 300.2937 -162078.5873 -109473.6008 299.0149 31.8990 55.7651 758907.1199 34.7774 34.9178 PRESSURE: 1296800 17.5761 216.224 -91.9323 216.224 289.905 -43.1967 -91.9323 -43.1959 -11.533 GPRESSURE: 1296800 161.666 192.031 -92.3112 108.685 233.213 -6.6709 -36.3909 16.4927 -29.9807 PRESSAVG: 1296800 32.7873 70.0423 4.94534 70.0423 -40.9591 -36.0993 4.94536 -36.0992 4.17616 GPRESSAVG: 1296800 32.5273 72.4045 9.21784 69.5647 -41.0808 -36.0455 2.09483 -33.4379 4.36248 TIMING: 1296800 CPU: 4167.21, 0.00316204/step Wall: 4167.21, 0.00316204/step, 3.25268 hours remaining, 232.917969 MB of memory in use. ENERGY: 1296800 4015.6164 20569.1602 14468.4474 227.8667 -203488.6260 2567.2010 0.0000 0.0000 51863.9103 -109776.4241 298.0626 -161640.3344 -109399.6189 299.3067 98.6494 121.6327 759410.6042 -1.3319 -1.3970 PRESSURE: 1297000 -57.1498 -16.916 106.226 -16.917 -361.867 99.8931 106.226 99.8928 -609.794 GPRESSURE: 1297000 18.7369 -25.0246 107.619 -46.7808 -321.789 66.6508 108.497 53.8079 -644.434 PRESSAVG: 1297000 -11.3278 72.6016 -19.0975 72.6016 28.2994 1.77837 -19.0975 1.77839 21.2523 GPRESSAVG: 1297000 -11.734 70.9727 -21.9192 72.5067 28.3816 0.588668 -17.0159 1.66573 22.0791 TIMING: 1297000 CPU: 4167.84, 0.00314148/step Wall: 4167.84, 0.00314148/step, 3.23137 hours remaining, 232.917969 MB of memory in use. ENERGY: 1297000 4054.4345 20447.6950 14430.4521 228.2079 -203446.2053 2519.0979 0.0000 0.0000 52050.9405 -109715.3774 299.1375 -161766.3178 -109348.2636 299.0198 -342.9370 -315.8287 759103.7009 12.7413 12.9089 PRESSURE: 1297200 40.8518 -237.877 217.98 -237.878 204.824 9.27062 217.981 9.27052 99.8044 GPRESSURE: 1297200 31.3232 -126.836 185.349 -184.608 181.162 -87.4256 202.161 83.5562 220.495 PRESSAVG: 1297200 -46.4915 21.1939 31.1527 21.1939 44.5179 7.63321 31.1527 7.63318 7.66724 GPRESSAVG: 1297200 -46.8518 21.3503 31.1878 19.0671 44.3672 7.75843 31.6182 9.29472 7.98331 TIMING: 1297200 CPU: 4168.47, 0.00314595/step Wall: 4168.47, 0.00314595/step, 3.23578 hours remaining, 232.917969 MB of memory in use. ENERGY: 1297200 4101.5101 20641.8377 14395.2783 234.8651 -203987.4891 2848.5502 0.0000 0.0000 52006.2009 -109759.2468 298.8804 -161765.4477 -109403.7067 298.8600 115.1600 144.3268 758973.2272 1.8979 1.8329 PRESSURE: 1297400 38.0746 -36.275 -108.148 -36.2739 -195.642 -161.848 -108.147 -161.848 101.5 GPRESSURE: 1297400 -24.4607 38.1948 -91.9895 -17.2551 -55.5623 -189.9 -127.438 -235.358 103.311 PRESSAVG: 1297400 -5.58595 -35.9165 23.3715 -35.9164 -13.9013 -10.5912 23.3715 -10.5913 13.382 GPRESSAVG: 1297400 -6.23521 -35.9647 23.2917 -34.7632 -12.3607 -10.1316 24.0159 -12.2662 13.1614 TIMING: 1297400 CPU: 4169.1, 0.00314004/step Wall: 4169.1, 0.00314004/step, 3.22953 hours remaining, 232.917969 MB of memory in use. ENERGY: 1297400 4061.1255 20515.5734 14489.2550 248.9751 -203532.8163 2343.6088 0.0000 0.0000 52028.5428 -109845.7356 299.0088 -161874.2785 -109482.1272 298.7661 -18.6891 7.7627 759113.2864 -2.0351 -1.8115 PRESSURE: 1297600 -148.657 -112.023 -224.108 -112.022 -35.089 192.971 -224.107 192.972 -74.2815 GPRESSURE: 1297600 -45.2119 -32.7576 -184.792 -131.44 -71.8871 44.5154 -238.437 194.756 -62.5587 PRESSAVG: 1297600 -10.905 -41.7448 -35.3001 -41.7448 -14.0878 -17.1283 -35.3 -17.1284 -4.9924 GPRESSAVG: 1297600 -10.3998 -40.4332 -33.2659 -41.6388 -14.5031 -17.375 -36.6894 -17.3982 -4.92497 TIMING: 1297600 CPU: 4169.73, 0.00314699/step Wall: 4169.73, 0.00314699/step, 3.2365 hours remaining, 232.917969 MB of memory in use. ENERGY: 1297600 4025.4017 20492.1248 14404.7911 237.4201 -203290.9750 2299.0389 0.0000 0.0000 52054.3612 -109777.8372 299.1571 -161832.1984 -109420.3608 298.9530 -86.0092 -59.8859 759373.6772 -9.9951 -9.9426 PRESSURE: 1297800 19.8005 -87.7679 247.785 -87.7676 -115.047 -317.273 247.785 -317.273 443.576 GPRESSURE: 1297800 139.887 -74.6582 279.758 -111.614 -197.207 -368.076 219.323 -325.174 473.761 PRESSAVG: 1297800 33.6152 7.9364 25.9282 7.93635 -39.1583 -55.3773 25.9281 -55.3773 19.8308 GPRESSAVG: 1297800 35.0287 9.04682 23.8115 7.3798 -38.6016 -54.7925 26.1824 -54.7374 18.2687 TIMING: 1297800 CPU: 4170.35, 0.00314374/step Wall: 4170.35, 0.00314373/step, 3.23298 hours remaining, 232.917969 MB of memory in use. ENERGY: 1297800 4068.1588 20554.0745 14470.4412 251.0871 -203641.1858 2583.3871 0.0000 0.0000 51945.6554 -109768.3818 298.5324 -161714.0371 -109413.5264 298.3921 116.1096 138.8139 760477.0594 4.7626 4.8986 PRESSURE: 1298000 -191.732 -58.3449 -175.186 -58.3449 16.3431 112.247 -175.186 112.248 439.451 GPRESSURE: 1298000 -131.009 -58.8461 -186.315 -104.803 67.2264 120.634 -251.243 144.858 406.776 PRESSAVG: 1298000 24.1391 -63.1777 -28.6222 -63.1777 -19.324 -57.3583 -28.6222 -57.3584 14.2588 GPRESSAVG: 1298000 24.2394 -65.3816 -28.7077 -64.3541 -20.4762 -57.6594 -28.9037 -58.6065 14.9157 TIMING: 1298000 CPU: 4170.98, 0.00315101/step Wall: 4170.98, 0.00315102/step, 3.24029 hours remaining, 232.917969 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: 1298000 4008.2137 20437.3306 14526.4312 259.1816 -203691.7808 2667.1120 0.0000 0.0000 51966.9612 -109826.5505 298.6548 -161793.5117 -109456.2571 298.4628 88.0206 114.3311 758292.7377 6.3580 6.2263 PRESSURE: 1298200 -62.3934 -176.48 -74.6176 -176.48 -140.001 -91.3367 -74.6174 -91.3357 -169.109 GPRESSURE: 1298200 24.0669 -111.053 -91.625 -55.4763 -156.895 -31.4213 -7.63356 -28.4005 -152.876 PRESSAVG: 1298200 84.7692 -9.88373 45.7817 -9.88372 -42.5672 17.2718 45.7817 17.2718 8.23185 GPRESSAVG: 1298200 84.5393 -9.16311 45.159 -7.66205 -42.9501 16.8321 44.8495 19.822 9.19639 TIMING: 1298200 CPU: 4171.62, 0.00315569/step Wall: 4171.62, 0.00315569/step, 3.24493 hours remaining, 232.917969 MB of memory in use. ENERGY: 1298200 3942.6345 20782.1792 14367.3174 237.9528 -203464.8911 2417.9360 0.0000 0.0000 51919.9210 -109796.9502 298.3845 -161716.8713 -109441.7765 299.0892 -123.8347 -95.2349 759702.7626 16.8113 16.9285 PRESSURE: 1298400 109.573 -11.8159 -46.5879 -11.8158 -131.609 12.7859 -46.5875 12.7855 25.0503 GPRESSURE: 1298400 120.954 -32.6325 70.6832 34.634 -117.911 7.82397 -37.7439 95.4526 63.93 PRESSAVG: 1298400 37.2887 -23.4452 -41.5777 -23.4452 -33.1936 17.0905 -41.5777 17.0905 23.2311 GPRESSAVG: 1298400 36.5482 -22.4024 -40.8964 -24.0345 -31.2523 15.8855 -39.9001 17.4085 21.6889 TIMING: 1298400 CPU: 4172.25, 0.00314919/step Wall: 4172.25, 0.00314919/step, 3.23807 hours remaining, 232.917969 MB of memory in use. ENERGY: 1298400 3999.7427 20474.3917 14416.8990 254.8839 -203622.0756 2562.1823 0.0000 0.0000 52160.0835 -109753.8924 299.7647 -161913.9759 -109394.0588 298.7028 1.0049 22.3242 761226.4696 9.1087 8.9949 PRESSURE: 1298600 61.4654 212.62 -88.8244 212.619 -94.6223 81.4589 -88.8248 81.4599 -104.384 GPRESSURE: 1298600 128.979 94.3572 -125.688 212.878 -48.8033 117.691 -59.1831 59.0448 -122.891 PRESSAVG: 1298600 46.9673 -23.3587 -10.0363 -23.3587 -13.3129 -10.5316 -10.0363 -10.5315 28.6674 GPRESSAVG: 1298600 46.1413 -23.5177 -9.88487 -22.2194 -13.9272 -9.56227 -11.086 -13.8884 29.9771 TIMING: 1298600 CPU: 4172.87, 0.00314527/step Wall: 4172.87, 0.00314527/step, 3.23386 hours remaining, 232.917969 MB of memory in use. ENERGY: 1298600 3999.3877 20550.7032 14358.0744 228.1204 -203527.3340 2570.7611 0.0000 0.0000 52094.1972 -109726.0900 299.3861 -161820.2872 -109365.7892 299.0522 -45.8469 -14.2386 760440.8620 20.7739 20.7304 PRESSURE: 1298800 6.45196 -145.86 158.8 -145.86 399.595 49.8385 158.799 49.8389 -74.3917 GPRESSURE: 1298800 110.114 -98.5905 109.484 20.1974 307.708 12.4588 89.4612 -55.3648 10.0737 PRESSAVG: 1298800 -21.8182 -6.59088 17.9983 -6.59081 25.0807 -28.7094 17.9982 -28.7094 20.1404 GPRESSAVG: 1298800 -20.3277 -9.38132 17.5057 -7.13529 23.7498 -29.8496 19.4724 -26.4741 20.4132 TIMING: 1298800 CPU: 4173.5, 0.00313766/step Wall: 4173.5, 0.00313766/step, 3.22586 hours remaining, 232.917969 MB of memory in use. ENERGY: 1298800 3940.6980 20634.2946 14380.1812 236.0002 -203853.8162 2603.7299 0.0000 0.0000 52264.7968 -109794.1157 300.3665 -162058.9124 -109434.3306 299.2194 110.5517 142.6318 760798.3309 7.8010 7.9451 PRESSURE: 1299000 -110.134 -45.0681 44.6504 -45.0683 223.873 62.2154 44.6515 62.2147 -370.756 GPRESSURE: 1299000 -106.139 -44.199 101.601 -39.971 266.883 75.2351 19.3784 133.159 -339.554 PRESSAVG: 1299000 64.9436 -53.437 14.6758 -53.4371 -57.6448 35.446 14.6758 35.446 11.0321 GPRESSAVG: 1299000 64.3776 -50.6393 15.6069 -53.2751 -57.0514 36.5459 12.7038 36.0169 10.2467 TIMING: 1299000 CPU: 4174.13, 0.00314569/step Wall: 4174.13, 0.00314569/step, 3.23394 hours remaining, 232.917969 MB of memory in use. ENERGY: 1299000 3976.5806 20594.8640 14461.0925 247.8244 -204278.0904 3092.2515 0.0000 0.0000 52043.3268 -109862.1505 299.0937 -161905.4773 -109489.6593 298.7611 -85.6723 -59.6030 759803.2597 6.1103 5.8576 PRESSURE: 1299200 -365.741 -27.0659 -16.4283 -27.0655 -117.825 -18.2659 -16.4286 -18.2659 289.171 GPRESSURE: 1299200 -208.436 16.4949 -89.3515 65.5623 -163.244 -74.2403 -62.7664 17.6892 248.134 PRESSAVG: 1299200 24.4489 -25.9581 -27.7188 -25.958 -44.2343 59.111 -27.7189 59.111 3.4273 GPRESSAVG: 1299200 25.3231 -25.4401 -27.9196 -23.7918 -44.3471 60.2361 -27.3627 57.6297 2.81435 TIMING: 1299200 CPU: 4174.76, 0.00315701/step Wall: 4174.76, 0.00315701/step, 3.24541 hours remaining, 232.917969 MB of memory in use. ENERGY: 1299200 3924.2732 20682.6271 14377.2729 249.1214 -203209.2602 2288.9060 0.0000 0.0000 51723.7443 -109963.3152 297.2571 -161687.0595 -109612.6051 299.1512 -64.7983 -41.1823 762502.2520 -5.4527 -5.4032 PRESSURE: 1299400 -113.313 125.446 -33.4639 125.445 122.559 35.2093 -33.4633 35.2088 -81.6068 GPRESSURE: 1299400 -130.732 65.5646 97.0526 134.447 141.313 90.9478 -76.5911 63.4645 -15.1362 PRESSAVG: 1299400 -15.1413 -8.18471 24.8076 -8.1847 -35.9302 -40.6087 24.8076 -40.6087 12.0259 GPRESSAVG: 1299400 -15.6235 -9.46732 24.4826 -8.97666 -36.5316 -42.4163 24.4372 -40.7627 12.8901 TIMING: 1299400 CPU: 4175.39, 0.00313768/step Wall: 4175.39, 0.00313768/step, 3.22536 hours remaining, 232.917969 MB of memory in use. ENERGY: 1299400 3968.0828 20553.8284 14371.5938 236.9074 -203691.8183 2494.0774 0.0000 0.0000 51920.0857 -110147.2429 298.3854 -162067.3286 -109784.1708 298.1815 -24.1201 -1.5185 760982.1226 -13.0152 -13.0883 PRESSURE: 1299600 -123.129 -55.8897 -115.829 -55.8898 -565.222 -276.374 -115.83 -276.372 -187.909 GPRESSURE: 1299600 -155.693 0.734715 -106.789 -68.1128 -480.776 -241.131 -67.4803 -131.01 -163.796 PRESSAVG: 1299600 -44.5132 -25.822 -15.8747 -25.8219 32.9557 -81.7144 -15.8747 -81.7144 4.44791 GPRESSAVG: 1299600 -45.3861 -24.1237 -14.5447 -26.6658 34.1311 -82.2015 -14.5384 -80.4657 4.05888 TIMING: 1299600 CPU: 4176.02, 0.00314061/step Wall: 4176.02, 0.00314061/step, 3.2282 hours remaining, 232.917969 MB of memory in use. ENERGY: 1299600 3982.3182 20598.3484 14409.9479 248.2565 -203435.9388 2186.3791 0.0000 0.0000 52007.6935 -110002.9952 298.8889 -162010.6887 -109645.8348 298.4302 -292.0866 -266.7551 760234.4204 -2.3699 -2.3987 PRESSURE: 1299800 -461.532 -1.37246 -118.477 -1.37261 -16.4601 -101.014 -118.477 -101.014 83.2071 GPRESSURE: 1299800 -394.54 -51.3837 -130.452 31.891 -45.782 -149.367 -243.047 -158.021 143.122 PRESSAVG: 1299800 14.0412 -24.4809 -17.6354 -24.4809 -27.0904 -40.8495 -17.6355 -40.8494 0.492917 GPRESSAVG: 1299800 15.5948 -26.4558 -17.9244 -26.0182 -28.5665 -39.5383 -17.148 -38.406 0.502337 TIMING: 1299800 CPU: 4176.65, 0.00316931/step Wall: 4176.65, 0.00316931/step, 3.25753 hours remaining, 232.917969 MB of memory in use. ENERGY: 1299800 3999.4991 20493.0869 14386.2247 259.0608 -203179.1999 2333.9629 0.0000 0.0000 51692.0767 -110015.2888 297.0751 -161707.3656 -109658.5440 298.6220 -131.5948 -99.0666 760322.7094 -4.1854 -4.1565 WRITING COORDINATES TO DCD FILE MD.4.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: 1300000 -156.019 -210.209 6.5189 -210.208 -478.644 -54.0637 6.51876 -54.0628 -514.296 GPRESSURE: 1300000 -96.6611 -234.483 102.055 -108.818 -471.173 -22.0283 -77.252 -77.1814 -463.18 PRESSAVG: 1300000 -2.2087 -52.617 -16.1668 -52.617 -16.1542 -87.8484 -16.1668 -87.8484 -12.0545 GPRESSAVG: 1300000 -3.96055 -52.0642 -15.5124 -50.4679 -13.855 -89.194 -18.3428 -88.8678 -12.2217 TIMING: 1300000 CPU: 4177.3, 0.0032621/step Wall: 4177.3, 0.0032621/step, 3.35271 hours remaining, 232.917969 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: 1300000 4007.9997 20708.8149 14356.2616 210.9280 -203636.0357 2265.4741 0.0000 0.0000 51935.4744 -110151.0831 298.4739 -162086.5575 -109794.5094 298.3942 -382.9861 -343.6717 760439.4207 -10.1392 -10.0124 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 PRESSURE: 1300200 -284.055 -133.591 -318.423 -133.591 -238.135 -25.3044 -318.423 -25.3046 -217.229 GPRESSURE: 1300200 -214.417 -7.80819 -337.992 -118.217 -222.007 -19.5694 -242.69 66.3724 -227.956 PRESSAVG: 1300200 13.2996 -49.2456 -46.0247 -49.2456 -50.4937 -88.4577 -46.0248 -88.4578 -14.2444 GPRESSAVG: 1300200 14.8925 -47.6272 -47.1042 -49.211 -53.2609 -85.4511 -44.2685 -90.7003 -13.2705 TIMING: 1300200 CPU: 4177.94, 0.00317527/step Wall: 4177.94, 0.00317527/step, 3.26329 hours remaining, 232.917969 MB of memory in use. ENERGY: 1300200 3980.0206 20517.7622 14427.2568 256.5412 -203370.4302 2173.7571 0.0000 0.0000 52038.1764 -109976.9158 299.0641 -162015.0922 -109619.7833 298.4566 -246.4732 -221.4601 761133.0705 -17.1462 -17.2130 LDB: ============= START OF LOAD BALANCING ============== 4190.36 LDB: ============== END OF LOAD BALANCING =============== 4190.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.36 LDB: ============= START OF LOAD BALANCING ============== 4190.68 LDB: Largest compute 7066 load 0.035021 is 18.0% of average load 0.195078 LDB: Average compute 0.004398 is 2.3% of average load 0.195078 LDB: TIME 4190.68 LOAD: AVG 0.195078 MAX 0.211854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.684 MB LDB: TIME 4190.68 LOAD: AVG 0.195078 MAX 0.211854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: TIME 4190.68 LOAD: AVG 0.195078 MAX 0.211854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: ============== END OF LOAD BALANCING =============== 4190.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.69 PRESSURE: 1300400 -215.634 -32.7618 -1.49201 -32.7618 -28.2963 -272.065 -1.492 -272.064 -402.785 GPRESSURE: 1300400 -228.022 13.5646 35.3677 -23.9053 19.7764 -241.528 50.1894 -264.286 -361.74 PRESSAVG: 1300400 -29.3654 -47.6277 -49.8004 -47.6277 29.6656 -58.146 -49.8004 -58.146 -8.82795 GPRESSAVG: 1300400 -30.1089 -48.5211 -49.5825 -48.8771 31.0446 -60.6223 -49.941 -56.7986 -9.51011 TIMING: 1300400 CPU: 4178.58, 0.00321331/step Wall: 4178.58, 0.00321331/step, 3.30221 hours remaining, 231.523438 MB of memory in use. ENERGY: 1300400 4068.2256 20608.7266 14405.9726 265.6825 -203469.8450 2473.8694 0.0000 0.0000 52004.1817 -109643.1866 298.8687 -161647.3684 -109278.3688 298.7408 -215.5720 -189.9954 760925.5845 -2.8426 -2.8581 PRESSURE: 1300600 161.377 -70.7519 -332.451 -70.7523 -16.1074 16.6665 -332.45 16.6661 131.103 GPRESSURE: 1300600 151.271 75.7653 -426.695 -54.075 63.3977 14.2325 -344.61 -86.1234 138.092 PRESSAVG: 1300600 32.4528 -6.35725 -14.1582 -6.35721 -28.606 -51.9579 -14.1582 -51.9579 15.8004 GPRESSAVG: 1300600 32.6053 -6.0191 -14.6917 -5.26634 -28.4368 -49.2453 -15.2762 -53.3203 15.9351 TIMING: 1300600 CPU: 4179.21, 0.00313628/step Wall: 4179.21, 0.00313628/step, 3.22287 hours remaining, 231.726562 MB of memory in use. ENERGY: 1300600 4038.9719 20575.4320 14415.8425 240.5676 -203398.5282 2571.0098 0.0000 0.0000 52120.2746 -109436.4299 299.5359 -161556.7045 -109073.6848 299.3760 92.1243 117.5869 759858.6745 6.5491 6.7012 PRESSURE: 1300800 -199.947 46.5983 -205.705 46.5985 -63.775 20.7922 -205.706 20.7924 -146.576 GPRESSURE: 1300800 -214.739 -94.261 -218.96 68.2396 25.0658 -5.30604 -100.619 74.9506 -124.7 PRESSAVG: 1300800 -14.7897 -18.4652 -27.5068 -18.4653 -7.82332 -86.866 -27.5068 -86.866 -35.1002 GPRESSAVG: 1300800 -16.1588 -20.3789 -26.06 -18.8594 -7.70697 -88.588 -26.5846 -86.1393 -34.4195 TIMING: 1300800 CPU: 4179.84, 0.00314902/step Wall: 4179.84, 0.00314902/step, 3.23579 hours remaining, 231.726562 MB of memory in use. ENERGY: 1300800 4019.6382 20478.6557 14425.8629 253.4629 -203220.6419 2302.5452 0.0000 0.0000 52204.8245 -109535.6525 300.0218 -161740.4770 -109169.4702 299.6661 -136.7662 -104.7911 759432.3487 -19.2377 -19.4284 PRESSURE: 1301000 25.0377 126.823 362.433 126.823 232.055 -96.2858 362.434 -96.2856 273.538 GPRESSURE: 1301000 69.8479 67.5491 321.27 57.427 256.559 -3.96127 196.795 -101.805 309.768 PRESSAVG: 1301000 44.4442 -35.029 19.4032 -35.029 -38.3336 -41.7742 19.4031 -41.7742 12.4152 GPRESSAVG: 1301000 46.343 -31.1364 16.8962 -35.9621 -38.135 -42.2678 19.0094 -43.1575 11.51 TIMING: 1301000 CPU: 4180.47, 0.00314192/step Wall: 4180.47, 0.00314192/step, 3.22832 hours remaining, 231.726562 MB of memory in use. ENERGY: 1301000 3931.0106 20609.6680 14409.3399 252.8012 -203209.8533 2453.9839 0.0000 0.0000 51984.4475 -109568.6022 298.7553 -161553.0497 -109202.0539 299.4626 176.8769 212.0584 759735.8522 6.1753 6.5727 PRESSURE: 1301200 -19.2041 -21.7122 -86.1076 -21.7121 -318.407 -314.814 -86.1075 -314.813 -75.1883 GPRESSURE: 1301200 -4.28607 -91.8591 -66.3687 8.43194 -213.172 -297.731 -40.3766 -342.642 -88.538 PRESSAVG: 1301200 20.8137 -55.7205 -19.3327 -55.7204 -1.16846 -32.4636 -19.3327 -32.4637 -1.127 GPRESSAVG: 1301200 20.3226 -57.6968 -16.8005 -56.0202 -1.51676 -31.9902 -21.0949 -29.6661 -0.566707 TIMING: 1301200 CPU: 4181.1, 0.00317328/step Wall: 4181.1, 0.00317328/step, 3.26036 hours remaining, 231.726562 MB of memory in use. ENERGY: 1301200 4037.3644 20553.5616 14375.0450 229.2192 -203322.6232 2322.6292 0.0000 0.0000 52011.8987 -109792.9049 298.9131 -161804.8037 -109428.2031 299.1440 -137.5997 -101.9987 758581.7520 6.1727 6.0797 PRESSURE: 1301400 25.9014 -103.117 -2.32401 -103.119 -265.993 106.404 -2.32333 106.405 -103.869 GPRESSURE: 1301400 -19.1361 -35.5951 -62.1303 -95.6186 -163.105 104.233 35.3016 228.386 -47.3769 PRESSAVG: 1301400 11.4265 -56.4222 40.5136 -56.4222 -32.1482 -12.0305 40.5137 -12.0303 -4.91253 GPRESSAVG: 1301400 10.6628 -54.5887 38.3511 -55.9611 -31.6537 -10.7725 41.8815 -14.1726 -5.22786 TIMING: 1301400 CPU: 4181.73, 0.00314734/step Wall: 4181.73, 0.00314734/step, 3.23354 hours remaining, 231.726562 MB of memory in use. ENERGY: 1301400 3980.5785 20464.9289 14418.1646 264.5663 -203594.0859 2490.4422 0.0000 0.0000 52020.0675 -109955.3379 298.9600 -161975.4054 -109586.4697 298.9615 -114.6533 -76.5392 758974.6060 -8.5447 -8.7396 PRESSURE: 1301600 -317.47 249.742 -92.3539 249.742 -160.744 -80.3751 -92.3548 -80.3743 -313.421 GPRESSURE: 1301600 -297.66 103.634 -54.7078 237.662 -200.541 -5.85202 -91.2167 -67.0113 -235.214 PRESSAVG: 1301600 65.9252 -19.2051 -9.69001 -19.2051 -62.1013 28.5384 -9.69005 28.5384 -0.995476 GPRESSAVG: 1301600 66.303 -21.0114 -9.15695 -19.3038 -62.9399 29.7212 -7.64166 29.7755 -1.37863 TIMING: 1301600 CPU: 4182.36, 0.00315034/step Wall: 4182.36, 0.00315034/step, 3.23645 hours remaining, 231.726562 MB of memory in use. ENERGY: 1301600 4045.9519 20419.9673 14409.4580 234.5799 -203167.5904 2150.6749 0.0000 0.0000 51948.7623 -109958.1960 298.5503 -161906.9583 -109601.8968 298.3160 -263.8783 -244.4719 760297.9593 0.9428 0.6615 PRESSURE: 1301800 200.117 -222.63 -39.1008 -222.63 8.18929 -0.509601 -39.1016 -0.508927 139.745 GPRESSURE: 1301800 89.6697 -180.808 37.5774 -208.755 140.325 2.89167 45.0203 8.58544 181.09 PRESSAVG: 1301800 79.8535 -27 63.5438 -27 -66.1697 46.7636 63.5438 46.7636 9.51187 GPRESSAVG: 1301800 79.5915 -24.9291 65.3295 -26.9634 -66.8711 44.3913 62.8071 45.9658 11.1265 TIMING: 1301800 CPU: 4182.99, 0.0031635/step Wall: 4182.99, 0.0031635/step, 3.24979 hours remaining, 231.726562 MB of memory in use. ENERGY: 1301800 3960.5015 20479.5265 14426.4500 258.9472 -203493.6079 2511.7671 0.0000 0.0000 51888.8980 -109967.5176 298.2062 -161856.4156 -109614.4764 298.1807 116.0171 137.0281 759255.9275 7.7319 7.9490 PRESSURE: 1302000 147.941 -67.8814 158.43 -67.8812 -5.32656 -6.99852 158.43 -6.99754 -71.6547 GPRESSURE: 1302000 195.902 25.4854 205.607 -66.4636 6.03941 -28.3999 89.2425 -174.977 -26.4653 PRESSAVG: 1302000 39.5109 -81.2216 -19.7622 -81.2216 -66.4671 2.58173 -19.7622 2.5817 -25.8571 GPRESSAVG: 1302000 38.7817 -82.5639 -20.4562 -80.4417 -65.3344 1.30103 -20.7061 3.46622 -25.9592 TIMING: 1302000 CPU: 4183.63, 0.00317914/step Wall: 4183.63, 0.00317914/step, 3.26568 hours remaining, 231.726562 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: 1302000 3937.7987 20624.0141 14361.9776 258.2115 -203469.8051 2531.9770 0.0000 0.0000 51780.6369 -109975.1893 297.5840 -161755.8262 -109622.2752 297.8794 23.6534 58.4921 759133.0058 -17.6044 -17.5040 PRESSURE: 1302200 -8.52152 -1.09146 84.2557 -1.0912 114.908 438.614 84.2556 438.614 -79.4206 GPRESSURE: 1302200 27.25 52.2587 60.0409 -61.8527 156.01 459.149 81.9781 437.903 -46.8135 PRESSAVG: 1302200 90.9159 43.0825 12.1751 43.0824 -70.1223 -22.6731 12.1752 -22.6731 27.038 GPRESSAVG: 1302200 91.8554 42.017 11.3648 45.887 -69.2034 -20.4107 12.4956 -22.6362 25.8763 TIMING: 1302200 CPU: 4184.27, 0.00317661/step Wall: 4184.27, 0.00317661/step, 3.26291 hours remaining, 231.726562 MB of memory in use. ENERGY: 1302200 4044.8552 20366.7287 14405.2081 243.5765 -203772.4480 2664.3223 0.0000 0.0000 52150.3732 -109897.3840 299.7089 -162047.7572 -109522.8383 298.7893 8.9885 45.4822 758517.6761 15.9439 16.1761 PRESSURE: 1302400 -235.162 -47.6409 -177.468 -47.641 -384.331 38.0106 -177.469 38.0113 -201.851 GPRESSURE: 1302400 -245.101 -20.1143 -149.137 -17.3729 -340.264 -55.3081 -189.478 54.8682 -165.449 PRESSAVG: 1302400 54.9163 -21.3845 27.5624 -21.3845 -35.8966 -13.7569 27.5624 -13.7569 -2.66257 GPRESSAVG: 1302400 54.3744 -20.9098 27.6277 -23.7136 -36.6953 -14.3663 29.0391 -16.1464 -2.00725 TIMING: 1302400 CPU: 4184.9, 0.00315607/step Wall: 4184.9, 0.00315607/step, 3.24164 hours remaining, 231.726562 MB of memory in use. ENERGY: 1302400 4016.6763 20675.3789 14350.3640 265.4524 -203426.5290 2030.9318 0.0000 0.0000 52138.2396 -109949.4861 299.6392 -162087.7256 -109590.8268 298.9511 -273.7817 -250.2716 759080.1579 5.4524 5.2240 PRESSURE: 1302600 50.3845 -36.8672 -194.574 -36.8669 -291.052 113.598 -194.574 113.6 -461.937 GPRESSURE: 1302600 41.2758 -12.6895 -95.2859 -111.499 -213.24 82.1827 -348.283 91.6526 -447.687 PRESSAVG: 1302600 56.6819 0.456828 -34.2408 0.456823 -98.1954 -60.826 -34.2408 -60.826 6.54654 GPRESSAVG: 1302600 57.7512 1.96908 -35.1394 1.00814 -98.9219 -60.8846 -34.8016 -59.6875 6.8474 TIMING: 1302600 CPU: 4185.53, 0.00316396/step Wall: 4185.53, 0.00316396/step, 3.24956 hours remaining, 231.726562 MB of memory in use. ENERGY: 1302600 4056.0608 20473.2832 14410.7157 247.6904 -203315.5631 2349.8271 0.0000 0.0000 51811.6556 -109966.3304 297.7623 -161777.9860 -109600.7986 298.6733 -234.2017 -206.5504 760677.3682 -11.6556 -11.4411 PRESSURE: 1302800 92.748 50.8991 -0.191707 50.8994 -31.7401 -66.3697 -0.190992 -66.3701 -170.268 GPRESSURE: 1302800 180.93 20.4344 -40.2027 -7.89921 -41.7872 -128.053 -61.3861 -88.1967 -148.811 PRESSAVG: 1302800 26.089 -2.04877 -17.4921 -2.04878 -60.9566 -18.8804 -17.4921 -18.8803 13.0598 GPRESSAVG: 1302800 26.3472 -4.09281 -16.9105 -2.81341 -60.2429 -17.6839 -18.3951 -19.268 13.0462 TIMING: 1302800 CPU: 4186.16, 0.00314585/step Wall: 4186.16, 0.00314585/step, 3.23079 hours remaining, 231.726562 MB of memory in use. ENERGY: 1302800 4015.8284 20502.4428 14455.3539 235.0242 -204011.8134 2908.6564 0.0000 0.0000 51865.3185 -110029.1893 298.0707 -161894.5079 -109672.2239 298.4192 -36.4199 -3.2228 760007.3634 -7.2693 -6.9498 PRESSURE: 1303000 -83.7681 -201.644 145.134 -201.644 289.065 134.382 145.133 134.38 -214.694 GPRESSURE: 1303000 -57.6662 -110.732 120.851 -123.877 307.951 88.8615 -59.182 -38.1854 -183.955 PRESSAVG: 1303000 -18.365 -35.4074 -17.0549 -35.4073 -6.60224 20.6979 -17.0549 20.6979 -5.11333 GPRESSAVG: 1303000 -17.2941 -32.4061 -16.0142 -33.6869 -7.4506 19.4375 -16.6518 19.7298 -5.17973 TIMING: 1303000 CPU: 4186.78, 0.0031242/step Wall: 4186.78, 0.0031242/step, 3.20838 hours remaining, 231.726562 MB of memory in use. ENERGY: 1303000 3940.1639 20334.1730 14410.4711 243.1540 -203737.1157 2696.7253 0.0000 0.0000 52130.1184 -109982.3100 299.5925 -162112.4285 -109600.7529 299.0111 -3.1325 22.1101 761775.1620 -10.0269 -9.9748 PRESSURE: 1303200 201.454 178.577 61.8467 178.577 -97.0659 201.396 61.8471 201.398 370.421 GPRESSURE: 1303200 202.743 135.217 65.1834 150.797 0.0680811 151.219 32.9286 97.8948 359.352 PRESSAVG: 1303200 -5.99467 -21.4538 23.3785 -21.4538 -16.3034 24.7117 23.3785 24.7117 -10.3534 GPRESSAVG: 1303200 -6.98395 -22.6513 21.2919 -23.767 -15.7893 24.9318 23.2758 24.9381 -9.57592 TIMING: 1303200 CPU: 4187.41, 0.00314578/step Wall: 4187.41, 0.00314578/step, 3.23036 hours remaining, 231.726562 MB of memory in use. ENERGY: 1303200 3941.7592 20633.4895 14474.2592 290.2746 -203940.5278 2831.9793 0.0000 0.0000 51719.1353 -110049.6305 297.2306 -161768.7658 -109687.7637 298.3331 158.2698 187.3876 759707.3963 -10.8838 -10.7831 PRESSURE: 1303400 65.9951 152.254 214.93 152.255 -143.219 76.6271 214.931 76.627 57.9444 GPRESSURE: 1303400 127.073 213.499 151.931 103.488 -134.787 147.063 230.361 -50.0757 51.7406 PRESSAVG: 1303400 17.5974 51.8823 -41.0165 51.8823 -22.0517 30.5983 -41.0165 30.5983 10.6538 GPRESSAVG: 1303400 17.774 51.655 -39.4915 53.6636 -22.5703 29.9852 -40.5375 30.1757 10.7518 TIMING: 1303400 CPU: 4188.04, 0.00313864/step Wall: 4188.04, 0.00313864/step, 3.22286 hours remaining, 231.726562 MB of memory in use. ENERGY: 1303400 3959.7561 20553.5590 14482.5062 262.3756 -203533.0376 2269.5796 0.0000 0.0000 52132.2234 -109873.0378 299.6046 -162005.2612 -109507.5161 298.7669 -6.4265 14.6756 760047.5937 2.0665 1.9852 PRESSURE: 1303600 -191.198 -1.68515 -65.6834 -1.6852 -283.057 113.021 -65.6836 113.021 -78.1096 GPRESSURE: 1303600 -184.555 22.1743 -72.237 -47.0202 -102.81 152.158 -13.9188 72.2971 -160.517 PRESSAVG: 1303600 8.44246 18.3901 -12.3029 18.39 -16.1395 -10.4854 -12.3029 -10.4854 7.64443 GPRESSAVG: 1303600 6.65606 20.5381 -13.4116 17.3298 -13.7786 -9.08283 -12.0273 -9.74813 7.46439 TIMING: 1303600 CPU: 4188.67, 0.00312797/step Wall: 4188.67, 0.00312797/step, 3.21173 hours remaining, 231.726562 MB of memory in use. ENERGY: 1303600 4016.2445 20539.5959 14440.8826 230.4397 -203513.4486 2314.3524 0.0000 0.0000 52086.5310 -109885.4024 299.3420 -161971.9334 -109524.7836 299.3071 -184.1214 -149.2940 760012.1319 -0.0175 0.1140 PRESSURE: 1303800 -99.2908 -221.553 -235.338 -221.553 163.52 -161.174 -235.337 -161.174 338.95 GPRESSURE: 1303800 -79.5151 -176.071 -165.567 -166.886 180.365 -123.973 -89.3704 -137.277 385.371 PRESSAVG: 1303800 -2.24106 6.0683 -44.5922 6.06828 -37.0928 -27.5367 -44.5922 -27.5367 14.9444 GPRESSAVG: 1303800 -0.897754 4.94642 -44.8383 5.75068 -37.8506 -27.1299 -43.0673 -27.2901 14.2555 TIMING: 1303800 CPU: 4189.3, 0.00314584/step Wall: 4189.3, 0.00314584/step, 3.2299 hours remaining, 231.726562 MB of memory in use. ENERGY: 1303800 3901.4227 20666.5511 14456.0448 240.6666 -203698.9367 2396.1152 0.0000 0.0000 52030.3523 -110007.7840 299.0191 -162038.1363 -109647.8147 298.4107 134.3932 162.0736 758222.2300 -8.1299 -8.1643 PRESSURE: 1304000 113.159 17.3478 60.4391 17.3469 246.159 -57.7837 60.4389 -57.7824 256.067 GPRESSURE: 1304000 111.72 -18.4729 84.1549 133.678 292.213 -87.7871 68.2206 68.7814 297.739 PRESSAVG: 1304000 -11.9917 -13.1594 -34.3432 -13.1594 -16.6594 -12.7303 -34.3432 -12.7303 -6.56878 GPRESSAVG: 1304000 -11.0662 -14.3558 -33.3624 -12.8111 -17.1113 -13.9417 -35.3135 -11.5681 -7.04994 TIMING: 1304000 CPU: 4189.93, 0.00315949/step Wall: 4189.93, 0.00315949/step, 3.24374 hours remaining, 231.726562 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: 1304000 4002.2386 20452.0101 14427.4311 268.5081 -203609.6812 2579.1659 0.0000 0.0000 51844.9335 -110035.3938 297.9535 -161880.3273 -109670.8905 298.4970 205.1281 233.8907 758538.1227 -11.7400 -11.7425 PRESSURE: 1304200 -206.631 161.339 126.786 161.34 5.36638 -53.387 126.785 -53.3875 -442.228 GPRESSURE: 1304200 -139.478 89.7362 187.116 127.229 70.8942 -133.041 122.8 -193.628 -484.625 PRESSAVG: 1304200 -6.10344 -15.021 -11.5652 -15.021 37.1924 -24.7521 -11.5653 -24.7521 4.98489 GPRESSAVG: 1304200 -6.24373 -15.716 -10.9874 -14.5259 36.578 -25.5094 -10.5752 -25.7979 5.43457 TIMING: 1304200 CPU: 4190.56, 0.00314745/step Wall: 4190.56, 0.00314745/step, 3.23121 hours remaining, 231.726562 MB of memory in use. ENERGY: 1304200 4028.8709 20442.8835 14415.6454 244.2869 -203815.7796 2493.7408 0.0000 0.0000 52154.2219 -110036.1302 299.7310 -162190.3521 -109667.0623 298.5003 -214.4975 -184.4030 760784.9522 12.0246 11.9230 LDB: ============= START OF LOAD BALANCING ============== 4202.98 LDB: ============== END OF LOAD BALANCING =============== 4202.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4202.98 LDB: ============= START OF LOAD BALANCING ============== 4203.3 LDB: Largest compute 7034 load 0.034433 is 17.6% of average load 0.195159 LDB: Average compute 0.004401 is 2.3% of average load 0.195159 LDB: TIME 4203.3 LOAD: AVG 0.195159 MAX 0.212859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.5 MB LDB: TIME 4203.3 LOAD: AVG 0.195159 MAX 0.212859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: TIME 4203.3 LOAD: AVG 0.195159 MAX 0.212859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: ============== END OF LOAD BALANCING =============== 4203.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4203.31 PRESSURE: 1304400 -242.205 78.1037 74.9978 78.1034 -574.155 -38.2484 74.997 -38.2481 355.563 GPRESSURE: 1304400 -132.375 85.5192 128.464 53.8822 -560.419 -12.4926 94.8439 -108.66 315.719 PRESSAVG: 1304400 -7.06739 28.038 16.9505 28.0379 -8.0797 -33.1816 16.9506 -33.1815 17.3611 GPRESSAVG: 1304400 -6.50264 28.4655 16.7817 26.7933 -7.71684 -32.5893 14.1928 -33.3138 16.5449 TIMING: 1304400 CPU: 4191.2, 0.0032242/step Wall: 4191.2, 0.0032242/step, 3.30982 hours remaining, 233.261719 MB of memory in use. ENERGY: 1304400 3988.2568 20607.2164 14500.8111 253.7840 -203845.1223 2741.9134 0.0000 0.0000 52010.8834 -109742.2573 298.9073 -161753.1407 -109379.3460 298.7180 -153.5993 -125.6916 761001.8785 0.7380 0.7752 PRESSURE: 1304600 317.397 -24.8127 131.671 -24.8128 -138.847 -195.9 131.671 -195.898 45.6007 GPRESSURE: 1304600 335.86 26.5729 43.6104 45.1179 -19.985 -126.696 141.597 -126.205 -24.1839 PRESSAVG: 1304600 16.4964 -8.27731 54.9125 -8.27733 -34.1706 -12.2388 54.9126 -12.2387 -2.89015 GPRESSAVG: 1304600 15.49 -5.97123 53.942 -6.46863 -34.0161 -10.3032 55.6832 -14.0987 -1.97427 TIMING: 1304600 CPU: 4191.83, 0.00314573/step Wall: 4191.83, 0.00314573/step, 3.22909 hours remaining, 233.464844 MB of memory in use. ENERGY: 1304600 4017.9119 20413.6936 14364.6804 238.2532 -203269.7477 2360.0818 0.0000 0.0000 52053.1455 -109821.9812 299.1501 -161875.1267 -109440.9550 298.6721 74.7169 97.2302 760110.6865 -6.8548 -6.8334 PRESSURE: 1304800 -355.075 50.5037 -215.535 50.5028 144.586 35.8137 -215.535 35.814 -122.937 GPRESSURE: 1304800 -298.813 5.03595 -195.449 41.59 165.38 11.2902 -147.644 8.17331 -120.832 PRESSAVG: 1304800 31.9421 29.1274 -15.0461 29.1274 -38.6218 59.9245 -15.0461 59.9244 -9.85793 GPRESSAVG: 1304800 31.1947 27.1327 -13.8792 29.5859 -37.5273 58.0655 -12.6519 59.9959 -10.5752 TIMING: 1304800 CPU: 4192.46, 0.00313456/step Wall: 4192.46, 0.00313456/step, 3.21745 hours remaining, 233.464844 MB of memory in use. ENERGY: 1304800 4013.2498 20563.3784 14375.9401 244.7061 -203688.9907 2577.7584 0.0000 0.0000 52038.1264 -109875.8315 299.0638 -161913.9579 -109518.7095 298.6215 -111.1421 -84.7549 760719.6987 -5.5125 -5.6359 PRESSURE: 1305000 -365.341 71.6975 -55.2237 71.6974 -436.38 -153.291 -55.2226 -153.291 238.176 GPRESSURE: 1305000 -248.937 48.3249 -96.4304 154.86 -467.056 -214.421 -14.2115 -72.9657 222.322 PRESSAVG: 1305000 -29.2508 23.2255 67.1728 23.2254 -0.357387 -30.6621 67.1728 -30.6621 6.51764 GPRESSAVG: 1305000 -29.3751 25.315 66.3575 22.2333 -0.881585 -31.3772 64.0951 -28.2655 7.54175 TIMING: 1305000 CPU: 4193.08, 0.00312334/step Wall: 4193.08, 0.00312334/step, 3.20576 hours remaining, 233.464844 MB of memory in use. ENERGY: 1305000 3974.6632 20446.1609 14427.9029 256.7449 -203364.7116 2472.6846 0.0000 0.0000 52055.8963 -109730.6588 299.1660 -161786.5551 -109363.8560 299.1674 -187.8483 -164.5571 761097.8664 -7.6968 -7.5717 PRESSURE: 1305200 -378.445 217.459 102.888 217.459 -142.48 -181.804 102.888 -181.804 -368.219 GPRESSURE: 1305200 -394.517 234.751 -9.78163 112.178 -98.3754 -183.648 61.1844 -95.925 -319.231 PRESSAVG: 1305200 -3.87905 -33.7152 -0.331422 -33.7152 4.61455 -41.5794 -0.331348 -41.5793 1.00039 GPRESSAVG: 1305200 -3.63893 -35.3894 -0.0101018 -33.151 4.51907 -40.1184 0.0807933 -41.8859 0.698188 TIMING: 1305200 CPU: 4193.71, 0.00314502/step Wall: 4193.71, 0.00314502/step, 3.22784 hours remaining, 233.535156 MB of memory in use. ENERGY: 1305200 3985.3112 20554.7000 14392.5573 231.8634 -203363.3864 2480.6424 0.0000 0.0000 51861.5574 -109856.7546 298.0491 -161718.3120 -109490.2312 298.5879 -296.3815 -270.7080 761433.0749 0.5786 0.5261 PRESSURE: 1305400 158.902 -92.6973 -124.048 -92.6965 66.3633 -79.2344 -124.048 -79.2339 -50.9454 GPRESSURE: 1305400 75.9926 -181.179 -126.762 -47.233 143.468 -85.442 4.57021 -261.261 36.9047 PRESSAVG: 1305400 28.4906 -34.2431 -4.65508 -34.2431 -22.5956 -12.4833 -4.65504 -12.4833 20.9181 GPRESSAVG: 1305400 28.8924 -34.2416 -6.61786 -33.5545 -22.7872 -12.3649 -2.16137 -12.6519 20.213 TIMING: 1305400 CPU: 4194.34, 0.00313486/step Wall: 4194.34, 0.00313486/step, 3.21724 hours remaining, 233.535156 MB of memory in use. ENERGY: 1305400 3996.1828 20349.7323 14495.2597 211.9062 -203432.0604 2541.0447 0.0000 0.0000 51964.1389 -109873.7958 298.6386 -161837.9347 -109518.2991 298.5686 58.1067 85.4552 760588.2749 8.9377 8.7727 PRESSURE: 1305600 144.386 -122.734 -91.4476 -122.733 -266.648 -174.921 -91.4467 -174.921 -224.382 GPRESSURE: 1305600 76.6276 -104.817 -167.19 -161.849 -150.283 -180.036 -83.4886 -150.472 -183.087 PRESSAVG: 1305600 31.6599 -30.0328 15.4229 -30.0328 -7.67218 -88.0181 15.423 -88.0182 4.37058 GPRESSAVG: 1305600 30.1671 -27.7023 18.2419 -31.1865 -7.07546 -88.6902 12.5154 -88.7809 5.05483 TIMING: 1305600 CPU: 4194.97, 0.00316832/step Wall: 4194.97, 0.00316833/step, 3.25141 hours remaining, 233.535156 MB of memory in use. ENERGY: 1305600 3970.8936 20401.1333 14462.9046 236.3685 -203517.0662 2375.6905 0.0000 0.0000 52325.6087 -109744.4670 300.7160 -162070.0757 -109384.0812 299.0791 -115.5479 -85.5808 759456.7736 9.4528 9.3821 PRESSURE: 1305800 -26.0173 43.712 54.1415 43.7126 -103.54 -304.297 54.1419 -304.297 282.486 GPRESSURE: 1305800 150.127 58.5979 30.0598 -27.5856 -159.178 -315.166 116.603 -213.619 247.21 PRESSAVG: 1305800 47.2453 -3.74241 36.9312 -3.74244 -85.1698 -32.8915 36.9312 -32.8914 11.4171 GPRESSAVG: 1305800 49.8311 -5.62106 35.8412 -3.15682 -86.2804 -33.2174 40.6894 -31.8864 9.98282 TIMING: 1305800 CPU: 4195.61, 0.00317389/step Wall: 4195.61, 0.00317389/step, 3.25694 hours remaining, 233.535156 MB of memory in use. ENERGY: 1305800 3982.4854 20503.4789 14495.7113 262.8826 -203503.9704 2419.5555 0.0000 0.0000 52186.0988 -109653.7580 299.9142 -161839.8567 -109286.9409 299.5174 50.9761 79.3862 760028.5958 -8.8358 -8.8221 PRESSURE: 1306000 -87.5653 127.305 103.83 127.306 -56.7681 -143.624 103.83 -143.624 176.74 GPRESSURE: 1306000 -15.8428 66.4472 68.8064 91.7379 -41.4508 -169.346 88.8908 -74.7966 186.068 PRESSAVG: 1306000 -2.89134 -32.4776 -8.40851 -32.4776 -19.2457 -51.9563 -8.40849 -51.9563 -16.7423 GPRESSAVG: 1306000 -3.19874 -33.7409 -10.0829 -33.7604 -19.5025 -52.9861 -10.5544 -52.6495 -16.4478 TIMING: 1306000 CPU: 4196.24, 0.00316226/step Wall: 4196.24, 0.00316226/step, 3.24483 hours remaining, 233.535156 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: 1306000 4033.9926 20449.5124 14446.7941 232.9152 -203416.6625 2417.8142 0.0000 0.0000 52175.1363 -109660.4978 299.8512 -161835.6341 -109290.2945 299.2090 10.8023 42.9248 761178.2860 -12.9598 -13.0497 PRESSURE: 1306200 -246.945 -194.285 -150.515 -194.285 -283.991 -119.053 -150.515 -119.053 180.249 GPRESSURE: 1306200 -265.552 -115.073 -150.139 -220.657 -137.082 -116.137 14.4747 -156.044 145.076 PRESSAVG: 1306200 -14.0369 -5.61573 34.2397 -5.61572 18.3339 -28.7708 34.2397 -28.7707 8.79152 GPRESSAVG: 1306200 -14.3859 -3.92623 36.4899 -6.67412 18.3325 -28.0895 34.2518 -29.8551 8.88179 TIMING: 1306200 CPU: 4196.87, 0.00316402/step Wall: 4196.87, 0.00316402/step, 3.24646 hours remaining, 233.535156 MB of memory in use. ENERGY: 1306200 4031.6017 20367.9417 14437.1139 238.7376 -203755.7576 2699.6436 0.0000 0.0000 52256.2032 -109724.5159 300.3171 -161980.7191 -109351.1936 299.2864 -116.8958 -85.8524 761498.7697 4.3628 4.2761 PRESSURE: 1306400 177.918 50.848 -56.1874 50.8479 159.939 -19.5323 -56.1869 -19.5317 -100.437 GPRESSURE: 1306400 298.951 91.1968 -111.346 -0.537181 106.309 24.2102 -15.5821 101.725 -83.6747 PRESSAVG: 1306400 42.5961 22.0413 -36.523 22.0413 -4.65077 1.5478 -36.5229 1.54784 -6.93842 GPRESSAVG: 1306400 43.1451 21.9255 -36.8611 24.0843 -4.40339 1.35796 -36.1805 1.98707 -6.8683 TIMING: 1306400 CPU: 4197.5, 0.00314191/step Wall: 4197.5, 0.0031419/step, 3.22359 hours remaining, 233.535156 MB of memory in use. ENERGY: 1306400 3946.1034 20451.0062 14468.1784 250.8068 -203713.6599 2757.3361 0.0000 0.0000 51916.8540 -109923.3750 298.3669 -161840.2290 -109554.3147 298.9240 79.1402 107.1950 759970.5811 10.3356 10.6245 PRESSURE: 1306600 -246.823 -226.654 -346.871 -226.654 -266.801 92.1433 -346.871 92.1431 -102.309 GPRESSURE: 1306600 -174.486 -284.279 -186.186 -192.593 -164.735 55.1733 -364.442 55.7873 -172.385 PRESSAVG: 1306600 60.3833 -25.4625 -24.1278 -25.4625 -51.2151 -56.3405 -24.1277 -56.3405 -4.69511 GPRESSAVG: 1306600 60.1212 -26.1193 -24.0339 -25.5641 -50.838 -55.3749 -24.1772 -57.6939 -4.68114 TIMING: 1306600 CPU: 4198.13, 0.00314828/step Wall: 4198.13, 0.00314828/step, 3.22996 hours remaining, 233.535156 MB of memory in use. ENERGY: 1306600 3922.1084 20380.0410 14528.1000 274.5397 -203215.2489 2424.7424 0.0000 0.0000 51873.1256 -109812.5918 298.1156 -161685.7174 -109450.6859 298.6670 -205.3111 -170.5353 762710.3185 1.4910 1.5340 PRESSURE: 1306800 422.756 -240.175 -29.9301 -240.176 -87.5771 76.812 -29.931 76.8121 -64.7054 GPRESSURE: 1306800 445.152 -274.243 11.071 -313.819 -127.394 34.0774 110.797 157.738 29.4249 PRESSAVG: 1306800 70.8353 -26.7855 -5.50227 -26.7855 -54.3503 11.1177 -5.50228 11.1178 25.6726 GPRESSAVG: 1306800 69.5914 -26.873 -5.39287 -26.7177 -52.2769 10.9923 -3.57469 14.3703 24.8798 TIMING: 1306800 CPU: 4198.76, 0.00317372/step Wall: 4198.76, 0.00317372/step, 3.25588 hours remaining, 233.535156 MB of memory in use. ENERGY: 1306800 3941.3756 20350.1597 14387.8428 234.6889 -203211.9578 2352.8408 0.0000 0.0000 52074.6419 -109870.4081 299.2737 -161945.0500 -109508.8339 298.0340 90.1579 115.7276 761008.5490 14.0526 14.0648 PRESSURE: 1307000 -75.4752 80.9566 395.463 80.9568 -108.495 -123.299 395.462 -123.298 -472.695 GPRESSURE: 1307000 -36.4123 182.163 387.219 57.0757 -86.0857 -229.304 377.506 -179.525 -463.951 PRESSAVG: 1307000 65.9153 -15.8479 -7.70831 -15.8479 -69.5618 -4.97423 -7.70833 -4.97434 -35.8484 GPRESSAVG: 1307000 65.3759 -15.8219 -8.40803 -16.8613 -71.2059 -4.52887 -9.93541 -8.79881 -34.4378 TIMING: 1307000 CPU: 4199.4, 0.00317825/step Wall: 4199.4, 0.00317825/step, 3.26035 hours remaining, 233.535156 MB of memory in use. ENERGY: 1307000 3997.6084 20446.4235 14469.8966 245.3845 -203337.6134 2389.1832 0.0000 0.0000 52041.0751 -109748.0421 299.0808 -161789.1172 -109395.6486 298.7066 -218.8884 -195.4829 761512.1694 -13.1650 -13.4226 PRESSURE: 1307200 -16.9543 -1.29479 68.4691 -1.29494 -127.428 -105.234 68.4682 -105.235 78.9819 GPRESSURE: 1307200 -11.3357 -52.8441 75.1313 34.7876 -102.336 -155.792 28.4471 -30.0203 135.943 PRESSAVG: 1307200 -9.56512 -41.1216 -1.35634 -41.1216 5.64833 -31.8779 -1.35629 -31.8778 -30.3437 GPRESSAVG: 1307200 -9.06012 -42.781 -0.144671 -40.91 5.5286 -33.1997 0.651642 -29.1543 -30.87 TIMING: 1307200 CPU: 4200.03, 0.00314894/step Wall: 4200.03, 0.00314894/step, 3.23011 hours remaining, 233.535156 MB of memory in use. ENERGY: 1307200 3955.3860 20452.8233 14442.1479 240.6460 -203473.3695 2628.8177 0.0000 0.0000 51802.0339 -109951.5146 297.7070 -161753.5485 -109589.3616 298.4192 -21.8003 7.4238 762376.8629 -11.4202 -11.4672 PRESSURE: 1307400 -27.6519 -155.313 85.2284 -155.312 215.472 -42.4688 85.2279 -42.4687 339.825 GPRESSURE: 1307400 17.4407 -172.222 -3.74579 -99.5399 338.396 -167.205 80.1101 -1.17967 243.52 PRESSAVG: 1307400 6.31911 -6.78685 -9.37365 -6.78687 -3.60543 13.2212 -9.37363 13.2211 31.3962 GPRESSAVG: 1307400 7.63336 -5.99722 -10.2547 -7.21838 -3.37196 14.3625 -12.8113 11.4961 29.9261 TIMING: 1307400 CPU: 4200.66, 0.00315818/step Wall: 4200.66, 0.00315818/step, 3.23942 hours remaining, 233.535156 MB of memory in use. ENERGY: 1307400 3964.1089 20368.3234 14489.4477 250.3996 -203679.9052 2748.7722 0.0000 0.0000 51800.9657 -110057.8876 297.7009 -161858.8533 -109693.2564 297.9900 175.8816 199.7854 761739.8374 11.3700 11.3958 PRESSURE: 1307600 -163.2 38.797 -92.4859 38.7965 -29.9343 402.885 -92.4863 402.884 72.7767 GPRESSURE: 1307600 -130.355 91.0308 -99.1094 215.716 -37.9601 364.551 -27.3338 375.963 123.198 PRESSAVG: 1307600 -33.5133 7.90194 -30.2092 7.90194 70.9723 47.8399 -30.2092 47.8399 10.1314 GPRESSAVG: 1307600 -34.1082 9.53761 -29.9402 9.1045 70.9434 46.5619 -27.6626 50.393 11.0949 TIMING: 1307600 CPU: 4201.29, 0.00316315/step Wall: 4201.29, 0.00316315/step, 3.24434 hours remaining, 233.535156 MB of memory in use. ENERGY: 1307600 3927.3434 20507.4094 14456.2690 239.7511 -203424.1692 2398.3511 0.0000 0.0000 51979.4888 -109915.5563 298.7268 -161895.0452 -109550.7662 298.0667 -40.1192 -15.0392 761037.1352 15.8635 15.9767 PRESSURE: 1307800 -173.106 -145.84 48.8365 -145.84 55.3558 220.809 48.8351 220.808 132.282 GPRESSURE: 1307800 -100.397 -44.447 19.7742 -110.119 63.2664 208.504 -18.5554 341.116 138.505 PRESSAVG: 1307800 7.65305 11.2865 19.6858 11.2864 11.6677 5.04875 19.6858 5.04882 17.305 GPRESSAVG: 1307800 6.51487 10.1496 19.0272 12.9029 12.1922 5.70876 18.0377 3.28354 17.9082 TIMING: 1307800 CPU: 4201.93, 0.00315969/step Wall: 4201.93, 0.00315969/step, 3.24061 hours remaining, 233.535156 MB of memory in use. ENERGY: 1307800 4042.0924 20360.9944 14417.9169 261.3821 -203467.1615 2647.4392 0.0000 0.0000 51974.6784 -109762.6582 298.6992 -161737.3366 -109409.0571 298.7399 4.8440 33.7914 760888.6446 12.2086 12.2051 PRESSURE: 1308000 -202.017 -36.5659 84.7608 -36.5654 223.911 63.7565 84.7606 63.756 256.442 GPRESSURE: 1308000 -165.286 -56.4711 8.24222 -62.7803 289.911 17.5273 -3.00686 36.5919 240.894 PRESSAVG: 1308000 43.7958 -7.14506 -28.8438 -7.14508 -49.5854 -20.5523 -28.8437 -20.5523 -17.1457 GPRESSAVG: 1308000 45.3331 -6.83249 -30.2015 -8.79432 -51.7503 -20.0932 -25.3841 -18.8131 -17.3248 TIMING: 1308000 CPU: 4202.56, 0.00316405/step Wall: 4202.56, 0.00316405/step, 3.24491 hours remaining, 233.535156 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: 1308000 3980.6199 20391.6225 14531.7399 258.8693 -203472.0245 2503.9158 0.0000 0.0000 52286.6093 -109518.6479 300.4919 -161805.2572 -109152.0653 298.9704 92.7789 121.8398 760203.6564 -7.6451 -7.9140 PRESSURE: 1308200 -211.976 -4.37758 1.70816 -4.37865 -223.624 156.886 1.7081 156.885 -332.211 GPRESSURE: 1308200 -176.291 -112.012 27.2636 -55.0452 -179.444 60.6053 -35.0301 172.833 -313.398 PRESSAVG: 1308200 39.8134 -33.7113 75.7887 -33.7113 8.08895 -27.7197 75.7887 -27.7197 13.2788 GPRESSAVG: 1308200 38.2275 -33.8578 75.8123 -33.0354 8.83754 -28.2603 74.491 -28.3327 14.3345 TIMING: 1308200 CPU: 4203.19, 0.00315631/step Wall: 4203.19, 0.00315631/step, 3.23679 hours remaining, 233.535156 MB of memory in use. ENERGY: 1308200 4065.5203 20464.5886 14514.4246 241.0632 -203189.4018 2389.0427 0.0000 0.0000 52127.0878 -109387.6746 299.5751 -161514.7624 -109024.5477 299.8828 -255.9373 -223.0445 758696.6297 20.3937 20.4665 LDB: ============= START OF LOAD BALANCING ============== 4215.61 LDB: ============== END OF LOAD BALANCING =============== 4215.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4215.61 LDB: ============= START OF LOAD BALANCING ============== 4215.93 LDB: Largest compute 7031 load 0.033369 is 17.1% of average load 0.195270 LDB: Average compute 0.004399 is 2.3% of average load 0.195270 LDB: TIME 4215.93 LOAD: AVG 0.19527 MAX 0.214638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.297 MB LDB: TIME 4215.93 LOAD: AVG 0.19527 MAX 0.214638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: TIME 4215.93 LOAD: AVG 0.19527 MAX 0.214638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.5 MB LDB: ============== END OF LOAD BALANCING =============== 4215.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4215.94 PRESSURE: 1308400 170.871 39.2533 136.357 39.2531 207.289 72.3719 136.357 72.3711 450.17 GPRESSURE: 1308400 298.587 -54.7267 26.59 -34.7961 141.274 152.477 165.133 63.6011 488.634 PRESSAVG: 1308400 22.2776 -18.6742 11.2078 -18.6743 45.7643 7.31408 11.2077 7.31415 11.0447 GPRESSAVG: 1308400 23.2051 -17.9428 13.9944 -22.8402 46.2122 7.52767 10.3907 8.28817 10.1108 TIMING: 1308400 CPU: 4203.83, 0.00320095/step Wall: 4203.83, 0.00320095/step, 3.28239 hours remaining, 233.195312 MB of memory in use. ENERGY: 1308400 4020.1895 20564.0833 14401.2073 259.7227 -203451.3016 2666.9606 0.0000 0.0000 52155.8262 -109383.3119 299.7403 -161539.1381 -109015.2509 299.8885 276.1102 309.4982 759292.5818 26.3622 26.5093 PRESSURE: 1308600 -128.137 -237.956 -25.5211 -237.956 -143.907 36.8825 -25.5202 36.8809 333.001 GPRESSURE: 1308600 -131.203 -88.7813 -52.0242 -228.953 -20.1222 49.9458 -114.044 49.563 298.674 PRESSAVG: 1308600 32.3345 -24.5894 41.5534 -24.5894 -25.5273 -35.4529 41.5534 -35.453 -13.2949 GPRESSAVG: 1308600 32.8339 -24.708 40.8249 -20.4676 -25.4256 -36.2079 41.462 -35.2198 -13.6329 TIMING: 1308600 CPU: 4204.47, 0.00317724/step Wall: 4204.47, 0.00317724/step, 3.25791 hours remaining, 233.195312 MB of memory in use. ENERGY: 1308600 4038.1119 20433.5498 14377.3174 246.5942 -203394.6916 2505.7733 0.0000 0.0000 52244.1436 -109549.2015 300.2478 -161793.3451 -109178.3633 299.0576 20.3189 49.1165 760346.4543 -2.1626 -2.0748 PRESSURE: 1308800 13.3478 227.03 -95.7365 227.03 -148.443 -124.492 -95.7368 -124.49 -75.6651 GPRESSURE: 1308800 41.8037 177.724 -56.8151 251.227 -162.453 -137.831 72.5246 -86.4436 -9.43441 PRESSAVG: 1308800 -37.8118 -51.2073 -5.88951 -51.2073 15.9139 -20.4181 -5.88944 -20.4181 13.7517 GPRESSAVG: 1308800 -39.4998 -50.7562 -6.48427 -50.2354 17.2853 -20.6688 -5.31404 -21.9197 14.1867 TIMING: 1308800 CPU: 4205.11, 0.00320021/step Wall: 4205.11, 0.00320021/step, 3.28128 hours remaining, 233.265625 MB of memory in use. ENERGY: 1308800 4016.2082 20653.5018 14486.1147 242.5849 -203429.6013 2595.3248 0.0000 0.0000 51841.6833 -109594.1837 297.9349 -161435.8669 -109232.9998 299.2699 -70.2534 -43.3611 762398.3998 -2.7154 -2.6760 PRESSURE: 1309000 62.5156 110.509 8.34269 110.51 33.125 -51.2014 8.34234 -51.2023 374.277 GPRESSURE: 1309000 73.0981 138.163 -48.934 65.826 130.668 -123.677 -21.3309 -113.17 346.815 PRESSAVG: 1309000 -29.7785 11.929 -34.4325 11.929 -2.83839 -35.8035 -34.4326 -35.8035 8.31601 GPRESSAVG: 1309000 -29.1541 12.7171 -33.8673 11.7878 -3.60467 -35.3646 -34.3919 -33.4707 8.42325 TIMING: 1309000 CPU: 4205.74, 0.00318067/step Wall: 4205.74, 0.00318067/step, 3.26107 hours remaining, 233.347656 MB of memory in use. ENERGY: 1309000 3995.6247 20543.2435 14534.2914 247.0376 -203218.9023 2433.7540 0.0000 0.0000 51963.2278 -109501.7234 298.6334 -161464.9511 -109142.4737 299.1653 156.6392 183.5271 759761.8172 -8.1003 -8.1118 PRESSURE: 1309200 306.96 -110.785 316.958 -110.785 33.4478 32.0822 316.958 32.0825 147.694 GPRESSURE: 1309200 357.263 -163.231 242.717 -136.168 48.7965 17.0605 222.407 101.398 152.949 PRESSAVG: 1309200 15.8566 8.10644 52.336 8.10645 -14.9911 -28.5368 52.336 -28.5368 -59.2654 GPRESSAVG: 1309200 17.4187 9.06498 52.0583 8.93167 -16.3831 -26.7818 54.1086 -28.82 -59.4698 TIMING: 1309200 CPU: 4206.37, 0.00315923/step Wall: 4206.37, 0.00315923/step, 3.23891 hours remaining, 233.417969 MB of memory in use. ENERGY: 1309200 4033.3755 20329.0225 14542.8367 256.1524 -203637.3599 2870.7164 0.0000 0.0000 52037.0439 -109568.2126 299.0576 -161605.2564 -109193.8910 299.5288 162.7005 186.3364 759310.5266 -19.4666 -19.4781 PRESSURE: 1309400 144.089 74.9584 -24.2366 74.9582 76.075 68.0537 -24.2364 68.0543 -78.4317 GPRESSURE: 1309400 258.184 14.99 18.4846 93.568 92.6375 63.1595 -30.5659 111.902 -119.315 PRESSAVG: 1309400 14.3515 -10.003 78.651 -10.003 -77.7358 -30.237 78.651 -30.237 -11.2707 GPRESSAVG: 1309400 13.2263 -12.4257 78.6872 -9.77665 -76.724 -31.0016 77.4893 -30.722 -11.8796 TIMING: 1309400 CPU: 4207.01, 0.00317216/step Wall: 4207.01, 0.00317216/step, 3.25199 hours remaining, 233.417969 MB of memory in use. ENERGY: 1309400 3984.8896 20548.1254 14499.5979 250.8827 -203341.0033 2433.9137 0.0000 0.0000 51806.3390 -109817.2550 297.7317 -161623.5940 -109456.2906 299.0982 47.2442 77.1690 760923.1344 -24.8850 -25.1258 PRESSURE: 1309600 6.51171 40.3212 8.47784 40.3217 -397.543 -158.806 8.47812 -158.807 -492.414 GPRESSURE: 1309600 18.0486 134.249 -42.8135 76.2776 -357.678 -38.8079 54.5032 -52.4354 -456.754 PRESSAVG: 1309600 46.5437 -35.9576 -37.7919 -35.9576 -33.7169 -31.6203 -37.7919 -31.6204 -7.66408 GPRESSAVG: 1309600 45.589 -35.1446 -39.903 -38.0648 -32.8828 -31.7029 -37.7657 -31.6843 -7.43165 TIMING: 1309600 CPU: 4207.65, 0.00318859/step Wall: 4207.65, 0.00318859/step, 3.26866 hours remaining, 233.417969 MB of memory in use. ENERGY: 1309600 4001.4799 20467.9756 14500.3319 248.4550 -203414.4017 2484.9373 0.0000 0.0000 52122.1795 -109589.0426 299.5469 -161711.2220 -109235.5845 299.1071 -294.4819 -265.4612 760991.0628 1.7209 1.7582 PRESSURE: 1309800 -235.174 -157.385 179.805 -157.384 -8.81906 -91.1642 179.806 -91.1629 -191.454 GPRESSURE: 1309800 -201.785 20.9271 168.353 -87.5268 43.8548 -106.931 135.819 -17.166 -173.632 PRESSAVG: 1309800 -1.73229 -9.80099 35.9075 -9.80094 -26.4078 14.5324 35.9074 14.5324 -29.1085 GPRESSAVG: 1309800 -1.73301 -9.13476 37.1423 -9.92347 -27.1788 14.606 35.4946 11.9488 -28.6042 TIMING: 1309800 CPU: 4208.28, 0.00318014/step Wall: 4208.28, 0.00318014/step, 3.25982 hours remaining, 233.417969 MB of memory in use. ENERGY: 1309800 4047.7149 20600.3058 14529.1739 234.9956 -203386.1055 2590.3378 0.0000 0.0000 51859.0590 -109524.5186 298.0347 -161383.5776 -109169.2771 299.4195 -145.1488 -110.5207 760966.0277 -19.0829 -19.1720 PRESSURE: 1310000 0.11722 -70.6025 44.6641 -70.6027 -149.925 -138.942 44.6647 -138.943 274.908 GPRESSURE: 1310000 -28.1482 -81.7479 37.591 -15.0737 -22.754 -92.0219 43.534 -212.836 264.146 PRESSAVG: 1310000 7.3757 12.6405 4.38601 12.6406 -66.3561 -11.6562 4.38604 -11.6562 -28.0913 GPRESSAVG: 1310000 7.61037 11.6464 5.96844 14.1626 -65.7871 -11.3709 3.85751 -9.46067 -28.6408 TIMING: 1310000 CPU: 4208.91, 0.0031554/step Wall: 4208.91, 0.0031554/step, 3.23428 hours remaining, 233.417969 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: 1310000 3968.6305 20537.2008 14480.2366 255.7205 -203226.6358 2393.8564 0.0000 0.0000 51998.7014 -109592.2896 298.8373 -161590.9910 -109233.5209 299.6448 41.6999 71.0813 761065.6931 -29.0239 -28.9392 PRESSURE: 1310200 -200.885 -205.27 182.408 -205.27 -106.122 -18.8772 182.406 -18.8769 163.714 GPRESSURE: 1310200 -135.94 -97.5573 178.386 -60.4319 -111.854 21.346 162.447 -28.6665 190.023 PRESSAVG: 1310200 55.4409 7.0326 -25.8486 7.03256 -25.4678 -13.2535 -25.8486 -13.2536 15.6985 GPRESSAVG: 1310200 54.7412 10.2464 -29.1217 5.16931 -25.255 -13.9332 -25.4609 -15.3996 16.5684 TIMING: 1310200 CPU: 4209.55, 0.00317027/step Wall: 4209.55, 0.00317027/step, 3.24935 hours remaining, 233.417969 MB of memory in use. ENERGY: 1310200 4004.2881 20617.8114 14453.6982 234.2492 -203119.4121 2286.7268 0.0000 0.0000 51918.8988 -109603.7395 298.3786 -161522.6383 -109248.4035 299.2661 -47.7643 -19.2569 761083.7708 15.2239 15.3515 PRESSURE: 1310400 -81.7431 -64.3915 191.09 -64.3919 1.23818 96.2703 191.09 96.2699 -361.211 GPRESSURE: 1310400 -29.4524 34.0445 122.071 11.5102 27.2483 117.231 127.754 56.0787 -329.013 PRESSAVG: 1310400 14.6804 -22.7471 14.775 -22.7472 -57.8036 -18.4424 14.7751 -18.4424 8.83252 GPRESSAVG: 1310400 13.9741 -24.5041 17.3076 -21.5652 -57.8597 -18.8968 14.4159 -16.3096 9.18006 TIMING: 1310400 CPU: 4210.18, 0.00315251/step Wall: 4210.18, 0.00315251/step, 3.23097 hours remaining, 233.417969 MB of memory in use. ENERGY: 1310400 3988.6563 20440.8719 14474.0939 241.1839 -203255.5932 2526.9612 0.0000 0.0000 52055.8879 -109527.9380 299.1659 -161583.8260 -109160.8058 299.4348 -147.2387 -110.4056 760360.4515 -11.4302 -11.5685 PRESSURE: 1310600 136.08 -93.5905 -25.3311 -93.591 -268.919 -33.4541 -25.3309 -33.4546 -180.184 GPRESSURE: 1310600 209.976 10.6739 -19.9185 -78.5195 -294.06 41.309 -12.809 -6.97524 -135.128 PRESSAVG: 1310600 22.1164 -20.236 -6.41962 -20.2361 -15.1731 -44.2845 -6.4196 -44.2845 5.62657 GPRESSAVG: 1310600 24.6599 -19.058 -7.87993 -21.5344 -16.3893 -42.0501 -5.54172 -45.1479 4.45416 TIMING: 1310600 CPU: 4210.81, 0.00313928/step Wall: 4210.81, 0.00313928/step, 3.21724 hours remaining, 233.417969 MB of memory in use. ENERGY: 1310600 3906.3641 20389.3748 14417.7345 240.8162 -203018.9854 2278.7743 0.0000 0.0000 52246.0414 -109539.8800 300.2587 -161785.9214 -109171.7485 299.7998 -104.3411 -73.0710 759875.7166 4.1900 4.2416 PRESSURE: 1310800 -249.731 137.235 -268.954 137.235 -238.912 119.051 -268.955 119.051 15.3482 GPRESSURE: 1310800 -228.048 52.9213 -192.094 97.9565 -165.721 143.8 -157.275 43.6237 0.526769 PRESSAVG: 1310800 12.1264 25.4433 -55.1194 25.4433 8.06082 -12.0063 -55.1194 -12.0063 -3.04402 GPRESSAVG: 1310800 10.8548 25.8747 -56.3368 24.591 9.77998 -14.3752 -54.5314 -10.8648 -3.09204 TIMING: 1310800 CPU: 4211.44, 0.00316875/step Wall: 4211.44, 0.00316875/step, 3.24727 hours remaining, 233.417969 MB of memory in use. ENERGY: 1310800 4015.1723 20373.9028 14425.5705 250.5763 -202856.2557 2260.3091 0.0000 0.0000 52037.6525 -109493.0722 299.0611 -161530.7247 -109121.8256 299.8000 -157.7651 -131.0806 761453.4474 5.7144 5.8476 PRESSURE: 1311000 182.835 -104.413 -125.31 -104.414 -162.445 -35.5952 -125.31 -35.5966 99.7496 GPRESSURE: 1311000 99.5527 -105.866 -31.9814 57.1401 -12.3281 -37.633 -199.274 -103.702 136.6 PRESSAVG: 1311000 20.9286 -23.0461 -16.6132 -23.0461 11.6861 -3.90063 -16.6132 -3.90065 24.939 GPRESSAVG: 1311000 20.5098 -24.4108 -14.4306 -21.7517 11.9754 -1.66896 -17.3857 -5.47128 24.5998 TIMING: 1311000 CPU: 4212.07, 0.00314627/step Wall: 4212.07, 0.00314627/step, 3.22406 hours remaining, 233.417969 MB of memory in use. ENERGY: 1311000 4019.1908 20295.2276 14443.8129 261.7342 -202985.5988 2350.8900 0.0000 0.0000 52074.6656 -109540.0777 299.2738 -161614.7433 -109186.4705 299.6755 40.0466 74.6081 759440.5021 19.1846 19.0283 PRESSURE: 1311200 -54.8267 105.494 50.7799 105.494 279.152 81.9323 50.7806 81.9311 -225.977 GPRESSURE: 1311200 55.715 92.326 -71.7637 -44.6083 331.148 102.487 10.399 142.825 -259.781 PRESSAVG: 1311200 -40.993 -28.9949 -11.6243 -28.9949 36.055 -16.2175 -11.6244 -16.2174 -8.38302 GPRESSAVG: 1311200 -40.4385 -29.5369 -10.7021 -31.2219 35.7143 -16.6843 -13.0659 -15.6516 -8.09304 TIMING: 1311200 CPU: 4212.7, 0.00316427/step Wall: 4212.7, 0.00316427/step, 3.24232 hours remaining, 233.417969 MB of memory in use. ENERGY: 1311200 4023.4879 20309.7226 14537.9921 237.7533 -203610.1422 2634.6316 0.0000 0.0000 51887.1131 -109979.4416 298.1960 -161866.5547 -109626.8202 299.0891 -0.5503 42.3608 758143.0879 -4.4403 -4.2724 PRESSURE: 1311400 70.4575 87.0109 -87.2875 87.0115 165.781 -214.391 -87.2864 -214.391 -310.392 GPRESSURE: 1311400 122.17 57.4633 -65.3601 193.797 139.293 -180.823 -55.6465 -164.517 -250.76 PRESSAVG: 1311400 -72.8544 -44.1785 -73.8153 -44.1785 68.2397 16.2669 -73.8153 16.267 -16.0215 GPRESSAVG: 1311400 -72.6847 -43.4434 -75.2937 -42.9386 66.8206 17.7004 -71.6336 14.7482 -15.2121 TIMING: 1311400 CPU: 4213.33, 0.00315791/step Wall: 4213.33, 0.00315791/step, 3.23563 hours remaining, 233.417969 MB of memory in use. ENERGY: 1311400 3977.4975 20485.2844 14449.5279 246.4436 -203244.5987 2267.6307 0.0000 0.0000 51751.1428 -110067.0718 297.4145 -161818.2147 -109706.8924 298.1342 -24.7179 3.5677 760283.3545 -6.8787 -7.0254 PRESSURE: 1311600 75.2792 -329.968 -287.707 -329.968 16.1824 39.971 -287.707 39.9717 -414.931 GPRESSURE: 1311600 112.235 -244.843 -285.844 -340.85 7.82366 135.654 -303.933 7.05037 -362.779 PRESSAVG: 1311600 -27.1343 -13.7199 -53.1643 -13.7199 42.3456 -29.9706 -53.1643 -29.9705 19.458 GPRESSAVG: 1311600 -27.3933 -14.1724 -51.9 -13.2611 43.3156 -32.412 -56.2965 -26.7629 18.2518 TIMING: 1311600 CPU: 4213.97, 0.00316767/step Wall: 4213.97, 0.00316767/step, 3.24545 hours remaining, 233.417969 MB of memory in use. ENERGY: 1311600 3886.5333 20376.6261 14440.9535 247.7789 -204104.4868 2793.8786 0.0000 0.0000 52297.5722 -110061.1443 300.5549 -162358.7165 -109694.8163 298.6336 -107.8231 -80.9066 758869.1091 11.5564 11.3913 PRESSURE: 1311800 57.2483 93.4735 69.5594 93.4734 -54.6836 278.99 69.5578 278.99 113.163 GPRESSURE: 1311800 59.9658 18.5503 81.773 196.608 71.14 255.988 -15.1329 123.916 64.2275 PRESSAVG: 1311800 -19.9317 12.2958 -48.6076 12.2957 6.97644 22.4046 -48.6076 22.4045 -6.56022 GPRESSAVG: 1311800 -19.5076 12.0136 -49.3885 13.0995 7.28653 22.4045 -45.356 21.374 -7.25009 TIMING: 1311800 CPU: 4214.6, 0.00316402/step Wall: 4214.6, 0.00316402/step, 3.24154 hours remaining, 233.417969 MB of memory in use. ENERGY: 1311800 4053.3793 20415.7277 14441.2144 233.9826 -203696.6532 2743.7251 0.0000 0.0000 51901.1143 -109907.5097 298.2764 -161808.6240 -109547.4162 298.6764 38.5760 65.1111 761055.8244 -6.5052 -6.4904 PRESSURE: 1312000 -216.445 -16.9063 143.33 -16.9071 61.8022 172.628 143.33 172.628 20.9028 GPRESSURE: 1312000 -114.201 -63.8124 135.746 65.1717 52.97 147.814 237.776 84.3633 -15.195 PRESSAVG: 1312000 -11.5526 -7.86255 -95.7773 -7.86257 48.9335 -19.4722 -95.7773 -19.4722 -24.921 GPRESSAVG: 1312000 -12.5213 -7.58193 -96.28 -10.5055 48.9097 -19.166 -97.5065 -18.3839 -23.8243 TIMING: 1312000 CPU: 4215.23, 0.00315083/step Wall: 4215.23, 0.00315083/step, 3.22785 hours remaining, 233.417969 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: 1312000 4036.7307 20432.6961 14455.9995 268.6517 -203382.3638 2582.8537 0.0000 0.0000 51815.8222 -109789.6098 297.7862 -161605.4320 -109424.9053 298.7075 -44.5801 -25.4753 759760.8536 4.1533 4.1880 PRESSURE: 1312200 -243.759 -167.609 -67.6965 -167.61 298.808 -134.148 -67.6969 -134.148 14.9941 GPRESSURE: 1312200 -182.169 -193.795 -68.9362 -209.293 278.008 -161.188 -45.0614 -254.092 53.0311 PRESSAVG: 1312200 -16.2901 -30.6989 -48.18 -30.6989 40.4059 30.6836 -48.18 30.6836 5.13519 GPRESSAVG: 1312200 -16.3708 -31.9815 -50.1985 -27.9487 40.8936 31.3361 -47.6578 29.1504 4.91821 TIMING: 1312200 CPU: 4215.86, 0.00314438/step Wall: 4215.86, 0.00314438/step, 3.22107 hours remaining, 233.417969 MB of memory in use. ENERGY: 1312200 4004.6796 20440.2549 14413.7339 245.6270 -203238.9854 2357.5752 0.0000 0.0000 52024.4771 -109752.6376 298.9854 -161777.1147 -109391.1856 298.8401 23.3479 49.6232 759817.9148 9.7503 9.8137 LDB: ============= START OF LOAD BALANCING ============== 4228.28 LDB: ============== END OF LOAD BALANCING =============== 4228.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4228.28 LDB: ============= START OF LOAD BALANCING ============== 4228.59 LDB: Largest compute 7068 load 0.033619 is 17.2% of average load 0.195272 LDB: Average compute 0.004413 is 2.3% of average load 0.195272 LDB: TIME 4228.6 LOAD: AVG 0.195272 MAX 0.21514 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.312 MB LDB: TIME 4228.6 LOAD: AVG 0.195272 MAX 0.21514 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: TIME 4228.6 LOAD: AVG 0.195272 MAX 0.21514 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.316 MB LDB: ============== END OF LOAD BALANCING =============== 4228.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4228.6 PRESSURE: 1312400 -163.576 -302.755 218.509 -302.754 310.466 193.433 218.51 193.433 73.2241 GPRESSURE: 1312400 -48.586 -277.772 115.537 -375.421 330.44 84.047 198.109 185.144 21.7923 PRESSAVG: 1312400 -75.2926 -59.4873 -22.8367 -59.4873 23.8841 -38.0457 -22.8367 -38.0457 1.5954 GPRESSAVG: 1312400 -74.9834 -59.1906 -22.9174 -60.2443 22.1294 -39.5922 -22.8526 -38.3882 2.7474 TIMING: 1312400 CPU: 4216.5, 0.0031941/step Wall: 4216.5, 0.0031941/step, 3.27182 hours remaining, 232.617188 MB of memory in use. ENERGY: 1312400 4018.7523 20423.9888 14424.8671 250.4860 -203412.4923 2449.1977 0.0000 0.0000 51964.2944 -109880.9060 298.6395 -161845.2004 -109520.4108 298.8404 73.3713 101.2154 759887.2053 -16.6044 -16.7022 PRESSURE: 1312600 138.403 -209.366 103.568 -209.365 218.773 106.91 103.569 106.909 256.986 GPRESSURE: 1312600 259.531 -226.278 114.014 -228.064 159.112 124.98 115.001 63.6983 281.73 PRESSAVG: 1312600 -17.6244 -37.1417 1.98622 -37.1419 39.6581 12.2608 1.98628 12.2608 -14.4692 GPRESSAVG: 1312600 -19.134 -34.4513 4.56857 -37.5495 41.3694 14.1984 0.82975 12.2254 -15.0802 TIMING: 1312600 CPU: 4217.12, 0.0031226/step Wall: 4217.12, 0.0031226/step, 3.19841 hours remaining, 232.617188 MB of memory in use. ENERGY: 1312600 4003.4956 20747.4060 14363.5389 253.9015 -203210.0844 2529.1328 0.0000 0.0000 51814.9736 -109497.6359 297.7814 -161312.6096 -109147.0144 298.8509 204.7204 233.4576 759771.8001 2.5215 2.3851 PRESSURE: 1312800 -276.031 -99.3804 -44.0496 -99.3815 -122.961 -112.12 -44.0497 -112.12 -229.797 GPRESSURE: 1312800 -251.174 -247.373 -77.4819 -6.57754 -42.1912 -95.4166 -7.25581 113.961 -242.568 PRESSAVG: 1312800 -9.90796 -50.5313 -43.4761 -50.5313 -23.2922 12.89 -43.4761 12.8901 24.285 GPRESSAVG: 1312800 -8.89413 -51.4665 -44.6414 -50.6106 -23.0281 12.499 -43.6253 14.1943 22.7779 TIMING: 1312800 CPU: 4217.75, 0.0031449/step Wall: 4217.75, 0.0031449/step, 3.22107 hours remaining, 232.617188 MB of memory in use. ENERGY: 1312800 4069.9863 20611.6525 14439.5033 230.3943 -203252.2637 2195.2698 0.0000 0.0000 52381.6785 -109323.7789 301.0382 -161705.4575 -108963.4121 300.0822 -209.5963 -178.6445 759177.3853 -2.9717 -3.0481 PRESSURE: 1313000 -213.623 -38.9887 139.074 -38.9885 168.632 147.263 139.074 147.262 266.199 GPRESSURE: 1313000 -157.304 -41.9592 118.672 -82.2617 154.282 207.812 140.607 129.481 293.143 PRESSAVG: 1313000 9.62636 -43.8942 60.6327 -43.8942 48.3654 -20.2849 60.6326 -20.2849 -14.8525 GPRESSAVG: 1313000 9.37085 -46.7695 61.0978 -43.2091 47.7851 -21.81 60.5067 -19.6198 -14.5716 TIMING: 1313000 CPU: 4218.38, 0.00313733/step Wall: 4218.38, 0.00313733/step, 3.21315 hours remaining, 232.617188 MB of memory in use. ENERGY: 1313000 3957.0177 20567.0923 14379.9757 237.5095 -203225.0272 2461.1304 0.0000 0.0000 52282.3025 -109339.9992 300.4671 -161622.3017 -108978.1029 300.4392 73.7362 96.7070 759528.6970 14.3798 14.1948 PRESSURE: 1313200 -339.693 -48.9199 -233.589 -48.9198 183.734 73.0039 -233.588 73.0028 -53.6816 GPRESSURE: 1313200 -275.185 -68.3517 -211.811 2.41075 225.498 -52.528 -298.821 28.8778 -77.0842 PRESSAVG: 1313200 -54.7288 -7.38731 -8.57455 -7.38727 16.1431 -15.0107 -8.57455 -15.0107 -2.032 GPRESSAVG: 1313200 -55.2274 -3.14162 -9.64178 -7.80194 15.7621 -12.7988 -7.37919 -19.0374 -1.02273 TIMING: 1313200 CPU: 4219.01, 0.00315871/step Wall: 4219.01, 0.00315871/step, 3.23487 hours remaining, 232.617188 MB of memory in use. ENERGY: 1313200 3951.6286 20459.5873 14458.3803 255.0146 -203347.6151 2642.6095 0.0000 0.0000 52292.0568 -109288.3379 300.5232 -161580.3947 -108916.9785 300.1334 -69.8804 -42.2569 760371.6038 -13.5392 -13.4960 PRESSURE: 1313400 258.056 -216.805 -86.5606 -216.804 428.89 -76.4212 -86.5604 -76.4201 89.0123 GPRESSURE: 1313400 192.358 -157.767 -23.4612 -118.697 560.763 -161.625 -58.1884 -113.137 118.601 PRESSAVG: 1313400 -6.14171 -13.2839 -59.4048 -13.2839 -2.90412 -29.6484 -59.4048 -29.6484 -1.2398 GPRESSAVG: 1313400 -6.00906 -15.9119 -57.3873 -12.9667 -2.31195 -31.7244 -59.1581 -26.3589 -1.52348 TIMING: 1313400 CPU: 4219.64, 0.00314035/step Wall: 4219.64, 0.00314035/step, 3.2159 hours remaining, 232.617188 MB of memory in use. ENERGY: 1313400 4040.1635 20560.8436 14416.1991 262.3772 -203141.8734 2588.0524 0.0000 0.0000 52108.2991 -109165.9384 299.4671 -161274.2375 -108810.4666 299.9355 258.6530 290.5740 759029.7933 -3.4285 -3.2815 PRESSURE: 1313600 196.823 93.5458 147.806 93.5453 -17.8708 -44.0229 147.806 -44.0214 48.4117 GPRESSURE: 1313600 98.2467 96.7639 153.174 60.2129 170.494 -43.4914 169.259 -52.9647 34.9203 PRESSAVG: 1313600 38.0734 -82.7967 -23.9713 -82.7967 0.18725 -31.1625 -23.9713 -31.1624 20.6246 GPRESSAVG: 1313600 37.8923 -81.623 -24.808 -83.0674 0.690094 -29.1656 -22.8542 -32.0985 20.564 TIMING: 1313600 CPU: 4220.27, 0.0031374/step Wall: 4220.27, 0.0031374/step, 3.21269 hours remaining, 232.617188 MB of memory in use. ENERGY: 1313600 3909.2705 20534.5320 14450.2552 248.1143 -203460.7310 2577.2750 0.0000 0.0000 52497.1869 -109244.0971 301.7021 -161741.2840 -108878.2167 300.4554 75.7879 101.2204 758752.8832 19.6284 19.7155 PRESSURE: 1313800 31.0007 52.1124 -19.7306 52.1125 -312.581 89.3003 -19.7298 89.3004 453.488 GPRESSURE: 1313800 67.3178 106.874 -158.314 92.1086 -221.423 58.9622 12.9779 -15.9476 409.702 PRESSAVG: 1313800 -20.1598 -21.9285 29.6575 -21.9286 -20.3291 -13.3262 29.6574 -13.3262 -11.7954 GPRESSAVG: 1313800 -19.1994 -21.8413 29.5526 -20.7572 -19.9707 -13.229 27.6212 -14.5382 -12.5836 TIMING: 1313800 CPU: 4220.9, 0.0031616/step Wall: 4220.9, 0.0031616/step, 3.2373 hours remaining, 232.617188 MB of memory in use. ENERGY: 1313800 3993.8620 20489.0867 14385.4018 257.5922 -203329.9768 2585.6511 0.0000 0.0000 52316.8695 -109301.5135 300.6658 -161618.3831 -108934.8519 300.5443 57.3027 85.1990 759000.4899 -17.4281 -17.2512 PRESSURE: 1314000 63.1718 -54.2617 179.924 -54.262 361.685 -150.444 179.924 -150.443 472.876 GPRESSURE: 1314000 199.733 -107.296 173.78 -139.546 310.886 -82.6691 31.8012 -98.9137 483.537 PRESSAVG: 1314000 19.1991 -11.5639 -45.0219 -11.5638 -51.0962 -24.6172 -45.0219 -24.6172 13.1587 GPRESSAVG: 1314000 18.4529 -11.6414 -45.499 -13.2455 -51.4854 -25.5801 -45.7022 -23.6547 14.2199 TIMING: 1314000 CPU: 4221.54, 0.00319102/step Wall: 4221.54, 0.00319102/step, 3.26725 hours remaining, 232.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1314000 3925.2001 20526.4942 14473.9308 257.9770 -202900.5481 2363.5658 0.0000 0.0000 52249.9345 -109103.4457 300.2811 -161353.3802 -108736.4885 300.2315 299.2443 331.3853 758597.3213 -6.2462 -6.2709 PRESSURE: 1314200 -196.668 100.157 3.62384 100.157 -230.658 -24.6697 3.62331 -24.6695 -636.563 GPRESSURE: 1314200 -157.232 55.5647 143.451 -39.7091 -221.932 7.31138 15.567 -37.8774 -610.249 PRESSAVG: 1314200 89.8095 16.2084 -54.3884 16.2085 -19.9962 -20.3389 -54.3883 -20.3389 17.89 GPRESSAVG: 1314200 90.347 16.1667 -54.5751 15.2561 -19.9074 -20.6495 -51.3732 -18.734 17.1854 TIMING: 1314200 CPU: 4222.17, 0.00315626/step Wall: 4222.17, 0.00315626/step, 3.23149 hours remaining, 232.617188 MB of memory in use. ENERGY: 1314200 3990.1546 20444.0929 14457.7927 239.3120 -202863.4325 2317.8943 0.0000 0.0000 52162.8842 -109251.3018 299.7808 -161414.1860 -108888.8349 300.4533 -354.6300 -329.8042 761117.2465 29.2345 29.2083 PRESSURE: 1314400 32.1079 119.978 170.796 119.978 -87.6624 295.414 170.797 295.414 -124.978 GPRESSURE: 1314400 67.4485 89.9029 178.222 40.1843 -40.4467 327.994 86.6399 193.382 -136.969 PRESSAVG: 1314400 4.0909 23.398 -11.685 23.398 15.2673 -35.4709 -11.685 -35.471 -6.40095 GPRESSAVG: 1314400 3.11149 23.6032 -11.2699 25.5742 15.3042 -33.5223 -15.598 -36.5043 -5.5449 TIMING: 1314400 CPU: 4222.8, 0.00314269/step Wall: 4222.8, 0.00314269/step, 3.21741 hours remaining, 232.617188 MB of memory in use. ENERGY: 1314400 3975.7726 20525.4608 14401.8244 242.0024 -203089.4447 2455.4464 0.0000 0.0000 52207.7111 -109281.2271 300.0384 -161488.9381 -108916.6702 300.3155 -60.1776 -36.6557 761631.4923 4.3191 4.2903 PRESSURE: 1314600 -234.28 89.8096 -13.336 89.8082 -162.772 -220.734 -13.3363 -220.734 -446.655 GPRESSURE: 1314600 -220.756 94.9101 -39.1152 125.517 -82.2465 -191.727 -64.6474 -60.9814 -463.351 PRESSAVG: 1314600 8.09292 -25.9789 -41.7605 -25.9789 7.91629 -54.1733 -41.7605 -54.1733 8.43281 GPRESSAVG: 1314600 8.40347 -26.3843 -40.6039 -24.9874 7.91796 -55.7672 -40.4838 -53.4283 8.19457 TIMING: 1314600 CPU: 4223.42, 0.00314332/step Wall: 4223.42, 0.00314332/step, 3.21788 hours remaining, 232.617188 MB of memory in use. ENERGY: 1314600 4030.6743 20535.8891 14517.0346 237.7157 -203359.9461 2420.2448 0.0000 0.0000 52482.5216 -109135.8660 301.6178 -161618.3876 -108782.5552 300.1512 -281.2355 -255.4511 759623.4153 8.1473 8.1720 PRESSURE: 1314800 -38.7115 127.782 -71.138 127.78 -61.8857 40.3946 -71.1378 40.3952 -330.178 GPRESSURE: 1314800 74.3062 3.29395 -89.8117 149.064 -20.1595 -55.0958 -61.9675 -38.0984 -371.766 PRESSAVG: 1314800 -42.6651 -37.1535 -35.3693 -37.1534 12.3509 -29.6885 -35.3692 -29.6884 16.3745 GPRESSAVG: 1314800 -42.5357 -37.6434 -36.874 -37.1752 12.6126 -28.9353 -34.4986 -29.7043 16.3294 TIMING: 1314800 CPU: 4224.05, 0.00313684/step Wall: 4224.05, 0.00313684/step, 3.21108 hours remaining, 232.617188 MB of memory in use. ENERGY: 1314800 4042.6836 20661.3923 14441.3784 258.7577 -202807.3884 2199.9175 0.0000 0.0000 52156.0959 -109047.1631 299.7418 -161203.2589 -108697.5524 300.3244 -143.5918 -105.8731 760086.1613 -4.6466 -4.5312 PRESSURE: 1315000 -35.9262 89.5831 -25.5462 89.5825 -139.018 84.7923 -25.5464 84.7926 -5.02385 GPRESSURE: 1315000 5.16156 102.803 -85.0624 68.4631 -136.984 100.851 106.459 95.7515 48.8263 PRESSAVG: 1315000 25.2632 2.38769 -6.73967 2.38768 -7.54476 9.54667 -6.73975 9.54666 6.70521 GPRESSAVG: 1315000 26.1061 4.26036 -6.34758 1.60316 -7.91912 8.48997 -7.52172 7.67734 6.73486 TIMING: 1315000 CPU: 4224.68, 0.00313957/step Wall: 4224.68, 0.00313957/step, 3.2137 hours remaining, 232.617188 MB of memory in use. ENERGY: 1315000 4051.1507 20560.8303 14451.5951 252.1242 -203244.6919 2527.5946 0.0000 0.0000 52419.9044 -108981.4927 301.2579 -161401.3971 -108614.4468 300.8712 -59.9893 -27.6653 761525.5195 8.1412 8.3073 PRESSURE: 1315200 -66.8224 -69.6893 -72.8349 -69.6902 -87.3613 69.7786 -72.8348 69.7786 -46.5125 GPRESSURE: 1315200 -71.4879 -35.1712 -194.034 15.1647 -15.0199 40.1386 25.7778 8.85418 -34.6979 PRESSAVG: 1315200 28.9399 37.3777 12.4509 37.3778 -28.7162 -96.466 12.4509 -96.4661 1.32638 GPRESSAVG: 1315200 27.9143 37.68 11.8429 38.0855 -28.324 -96.9875 13.1453 -95.2964 1.82836 TIMING: 1315200 CPU: 4225.31, 0.0031522/step Wall: 4225.31, 0.0031522/step, 3.22646 hours remaining, 232.617188 MB of memory in use. ENERGY: 1315200 4063.5338 20542.4504 14516.6882 225.3903 -203026.4215 2448.4247 0.0000 0.0000 52193.8530 -109036.0812 299.9588 -161229.9341 -108691.2653 300.9222 -66.8987 -40.4019 759701.3266 0.5167 0.4729 PRESSURE: 1315400 17.0763 11.5307 14.5636 11.5308 -264.085 -296.358 14.5644 -296.359 -425.088 GPRESSURE: 1315400 82.0611 9.77669 38.0798 18.5798 -172.479 -241.176 -37.048 -364.375 -492.498 PRESSAVG: 1315400 15.284 11.2841 -18.0882 11.2841 -64.9166 -46.1373 -18.0882 -46.1373 -12.8441 GPRESSAVG: 1315400 15.0748 10.0844 -17.6838 10.9492 -64.609 -45.1749 -18.9072 -45.6086 -12.6414 TIMING: 1315400 CPU: 4225.94, 0.00313084/step Wall: 4225.94, 0.00313084/step, 3.20442 hours remaining, 232.617188 MB of memory in use. ENERGY: 1315400 3976.4048 20838.0615 14405.3180 247.1721 -203363.9763 2435.9638 0.0000 0.0000 52205.3171 -109255.7390 300.0247 -161461.0561 -108897.8424 300.1043 -224.0321 -194.3054 758977.4545 -20.8256 -20.7252 PRESSURE: 1315600 140.774 -29.8293 72.7559 -29.8292 -38.9404 -73.761 72.7572 -73.7607 156.846 GPRESSURE: 1315600 208.187 -77.013 171.112 34.1503 -84.8934 -95.8031 118.633 -56.2908 214.239 PRESSAVG: 1315600 47.2422 -10.7167 10.4829 -10.7167 -41.6154 -40.3844 10.4829 -40.3844 13.974 GPRESSAVG: 1315600 49.5159 -10.6409 11.7852 -10.6525 -41.9406 -39.9722 10.852 -41.1409 12.4589 TIMING: 1315600 CPU: 4226.56, 0.00313932/step Wall: 4226.56, 0.00313932/step, 3.21292 hours remaining, 232.617188 MB of memory in use. ENERGY: 1315600 4003.1516 20561.3757 14459.4660 245.9877 -203835.4955 2649.0947 0.0000 0.0000 52375.2575 -109541.1623 301.0013 -161916.4198 -109167.3418 300.1833 86.2265 112.5109 761198.9020 6.5336 6.6781 PRESSURE: 1315800 -391.558 52.018 230.418 52.0181 -325.899 -98.1769 230.419 -98.1778 325.999 GPRESSURE: 1315800 -312.889 16.77 190.707 26.2118 -267.852 -41.832 182.181 -125.366 286.054 PRESSAVG: 1315800 33.5465 14.9229 -27.395 14.9229 -35.3172 -65.2564 -27.395 -65.2563 0.00821392 GPRESSAVG: 1315800 31.1514 15.9981 -28.4213 14.1369 -35.2129 -66.0643 -29.6979 -65.1847 1.65283 TIMING: 1315800 CPU: 4227.2, 0.00316525/step Wall: 4227.2, 0.00316525/step, 3.23928 hours remaining, 232.617188 MB of memory in use. ENERGY: 1315800 4003.8444 20462.7309 14440.8780 244.9122 -203168.9534 2342.0666 0.0000 0.0000 52071.1527 -109603.3687 299.2536 -161674.5214 -109231.2532 299.5943 -130.4863 -98.2292 762472.0599 -0.5875 -0.8029 PRESSURE: 1316000 14.9335 -296.382 73.9653 -296.381 0.972919 -125.858 73.9652 -125.857 -249.411 GPRESSURE: 1316000 24.5338 -229.637 38.3702 -237.917 7.18425 -63.6441 133.196 0.942819 -198.907 PRESSAVG: 1316000 16.2575 -21.26 -34.3045 -21.26 -14.8508 -19.0436 -34.3046 -19.0436 11.1804 GPRESSAVG: 1316000 17.2581 -23.3109 -33.7899 -19.6219 -15.1461 -18.7455 -36.0937 -17.4913 10.2016 TIMING: 1316000 CPU: 4227.83, 0.00315218/step Wall: 4227.83, 0.00315218/step, 3.22573 hours remaining, 232.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1316000 4021.7912 20420.3609 14488.4141 253.9968 -203680.4554 2830.4957 0.0000 0.0000 52200.5520 -109464.8446 299.9973 -161665.3966 -109109.8756 299.9239 -77.8348 -55.7295 760092.3531 4.1957 4.1045 PRESSURE: 1316200 162.55 -30.522 128.88 -30.5226 410.582 -160.5 128.88 -160.5 29.4693 GPRESSURE: 1316200 215.318 -99.2298 153.337 35.9118 410.649 -193.021 41.4512 -194.142 62.9379 PRESSAVG: 1316200 20.056 -11.6426 -19.6443 -11.6426 -25.5779 -56.1455 -19.6442 -56.1455 -5.20158 GPRESSAVG: 1316200 19.693 -10.7054 -20.335 -12.0192 -25.4274 -58.0326 -16.5603 -55.8142 -4.81247 TIMING: 1316200 CPU: 4228.46, 0.00315418/step Wall: 4228.46, 0.00315418/step, 3.22761 hours remaining, 232.617188 MB of memory in use. ENERGY: 1316200 3999.7638 20628.9807 14415.1644 246.7063 -203494.6633 2844.2143 0.0000 0.0000 51980.8915 -109378.9423 298.7349 -161359.8338 -109020.2801 299.7964 200.8673 229.6350 761149.5873 -3.5745 -3.5156 LDB: ============= START OF LOAD BALANCING ============== 4240.88 LDB: ============== END OF LOAD BALANCING =============== 4240.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4240.88 LDB: ============= START OF LOAD BALANCING ============== 4241.2 LDB: Largest compute 7033 load 0.033436 is 17.1% of average load 0.195282 LDB: Average compute 0.004386 is 2.2% of average load 0.195282 LDB: TIME 4241.2 LOAD: AVG 0.195282 MAX 0.21567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 4241.2 LOAD: AVG 0.195282 MAX 0.21567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.746 MB LDB: TIME 4241.2 LOAD: AVG 0.195282 MAX 0.21567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.746 MB LDB: ============== END OF LOAD BALANCING =============== 4241.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4241.21 PRESSURE: 1316400 164.953 -12.2845 -236.368 -12.2842 -398.159 -2.76624 -236.368 -2.76697 -314.884 GPRESSURE: 1316400 123.049 23.6026 -145.196 71.3872 -349.417 -0.53703 -247.761 -140.116 -229.682 PRESSAVG: 1316400 11.571 -45.3235 -27.0581 -45.3235 -33.1295 -17.6181 -27.0581 -17.618 -26.3883 GPRESSAVG: 1316400 12.7588 -43.6331 -26.4083 -47.0332 -33.9869 -15.4435 -27.5965 -19.1472 -26.5299 TIMING: 1316400 CPU: 4229.1, 0.00321987/step Wall: 4229.1, 0.00321987/step, 3.29464 hours remaining, 232.351562 MB of memory in use. ENERGY: 1316400 4050.3610 20555.0935 14405.8555 262.0356 -203250.9015 2351.6592 0.0000 0.0000 52387.6363 -109238.2605 301.0725 -161625.8967 -108862.6241 300.0798 -182.6970 -152.0165 759980.0460 -15.9823 -15.9193 PRESSURE: 1316600 87.7781 -58.8347 120.874 -58.8346 -226.291 -6.85092 120.874 -6.85169 -184.622 GPRESSURE: 1316600 -6.40327 -104.713 153.57 -36.1776 -62.2692 -19.4973 60.7331 -82.2109 -172.255 PRESSAVG: 1316600 13.803 -7.55055 -75.2256 -7.55059 -62.904 18.1839 -75.2256 18.1838 -10.8047 GPRESSAVG: 1316600 11.7157 -7.41793 -75.1933 -8.46955 -62.1171 18.6073 -74.2616 16.5478 -9.57172 TIMING: 1316600 CPU: 4229.73, 0.00315655/step Wall: 4229.73, 0.00315655/step, 3.22968 hours remaining, 232.550781 MB of memory in use. ENERGY: 1316600 3989.3526 20508.8609 14533.9499 243.8855 -202787.8089 2158.3492 0.0000 0.0000 52027.4298 -109325.9811 299.0024 -161353.4108 -108960.8928 300.1554 -107.7117 -80.3093 761257.0356 -19.9686 -19.9910 PRESSURE: 1316800 34.9079 -174.683 71.5766 -174.683 -57.6143 -12.5064 71.5773 -12.5058 195.952 GPRESSURE: 1316800 112.979 -232.93 -68.4965 -239.444 -42.1282 60.9315 92.5846 46.5566 160.945 PRESSAVG: 1316800 63.7194 -38.4725 11.9009 -38.4725 -54.2496 -15.7483 11.901 -15.7484 7.24377 GPRESSAVG: 1316800 65.1801 -41.036 12.352 -36.2657 -54.0456 -15.9128 11.1484 -15.7395 4.86599 TIMING: 1316800 CPU: 4230.36, 0.00315258/step Wall: 4230.36, 0.00315258/step, 3.22544 hours remaining, 232.550781 MB of memory in use. ENERGY: 1316800 3948.8470 20721.6099 14449.4343 236.1258 -203722.3537 2662.1527 0.0000 0.0000 52173.8835 -109530.3005 299.8440 -161704.1840 -109168.7051 300.1282 57.7487 77.2652 759914.6504 5.5712 5.3335 PRESSURE: 1317000 -222.277 -237.704 94.5482 -237.705 80.4994 186.679 94.5483 186.68 455.499 GPRESSURE: 1317000 -189.096 -257.093 114.808 -133.621 2.12791 215.179 109.773 180.063 568.972 PRESSAVG: 1317000 71.0891 -32.4295 27.3698 -32.4295 -54.2335 -10.8989 27.3697 -10.8989 -11.2042 GPRESSAVG: 1317000 70.5723 -32.5189 28.1327 -31.5939 -55.8275 -11.9474 25.8534 -10.1083 -9.36416 TIMING: 1317000 CPU: 4231, 0.00315305/step Wall: 4231, 0.00315305/step, 3.22575 hours remaining, 232.550781 MB of memory in use. ENERGY: 1317000 3924.8085 20501.4055 14402.5738 259.2558 -203271.3837 2477.0376 0.0000 0.0000 52102.7733 -109603.5292 299.4354 -161706.3026 -109255.1889 299.6617 104.5737 127.3345 759592.1308 1.8838 1.7936 PRESSURE: 1317200 -174.446 -101.679 -10.6284 -101.679 198.587 -70.0234 -10.6273 -70.0236 11.6232 GPRESSURE: 1317200 -99.3399 -93.7551 -75.9899 -104.029 172.705 -78.3611 33.24 13.792 55.5171 PRESSAVG: 1317200 12.156 -95.6237 68.1128 -95.6237 -42.8135 51.3703 68.1128 51.3703 21.1937 GPRESSAVG: 1317200 13.5648 -93.8733 67.4366 -96.7201 -43.7655 53.3144 67.9301 51.6894 20.0321 TIMING: 1317200 CPU: 4231.62, 0.00313831/step Wall: 4231.62, 0.00313831/step, 3.21049 hours remaining, 232.566406 MB of memory in use. ENERGY: 1317200 4023.9195 20536.5027 14409.9449 232.1694 -203410.7869 2534.7175 0.0000 0.0000 52143.6028 -109529.9301 299.6700 -161673.5329 -109167.9104 299.3992 11.9216 42.9607 759915.7305 -3.1546 -3.3895 PRESSURE: 1317400 247.402 20.1587 42.7923 20.1588 -11.2395 -324.532 42.7917 -324.533 85.4973 GPRESSURE: 1317400 245.923 21.0764 114.313 31.2382 20.3907 -331.989 -27.6218 -410.879 157.587 PRESSAVG: 1317400 78.5532 0.00813629 -24.3249 0.00821219 -43.8291 20.2032 -24.3249 20.2031 5.94773 GPRESSAVG: 1317400 77.3129 0.127867 -24.6804 -0.318801 -43.0408 19.1192 -21.0819 19.5039 6.05577 TIMING: 1317400 CPU: 4232.25, 0.00315669/step Wall: 4232.25, 0.00315669/step, 3.22912 hours remaining, 232.566406 MB of memory in use. ENERGY: 1317400 3978.4206 20307.4559 14438.8552 255.1945 -203405.7007 2647.6743 0.0000 0.0000 52227.2030 -109550.8971 300.1505 -161778.1001 -109192.3364 299.1172 107.2201 141.3003 759205.4154 13.5573 13.4426 PRESSURE: 1317600 -338.22 43.1378 108.094 43.1381 -256.999 170.094 108.093 170.093 -4.26196 GPRESSURE: 1317600 -324.11 62.5206 86.7825 -42.3592 -147.467 183.823 -27.9022 167.066 -39.4739 PRESSAVG: 1317600 -7.21073 -8.76029 38.1612 -8.7603 -4.13867 -10.3292 38.1612 -10.3292 -21.5956 GPRESSAVG: 1317600 -8.458 -6.46453 40.1182 -9.2622 -4.19409 -11.1132 36.1972 -11.1466 -20.5745 TIMING: 1317600 CPU: 4232.88, 0.00314167/step Wall: 4232.88, 0.00314167/step, 3.21358 hours remaining, 232.566406 MB of memory in use. ENERGY: 1317600 4008.9109 20596.9990 14439.6557 254.2692 -203197.8913 2117.6779 0.0000 0.0000 52109.2741 -109671.1046 299.4727 -161780.3787 -109310.5860 299.1589 -199.8270 -170.3503 758263.8483 -10.9817 -11.0755 PRESSURE: 1317800 8.071 161.41 42.4692 161.409 45.8303 -3.7717 42.468 -3.77147 319.75 GPRESSURE: 1317800 136.81 57.8808 89.103 137.697 49.5525 -63.6747 -41.5266 -10.4701 287.918 PRESSAVG: 1317800 -17.5987 32.4015 -28.5751 32.4015 -21.7768 -2.74874 -28.575 -2.7487 38.7865 GPRESSAVG: 1317800 -17.2296 29.9297 -27.6179 31.6355 -20.9799 -2.54345 -30.5194 -1.93139 38.0511 TIMING: 1317800 CPU: 4233.51, 0.00315223/step Wall: 4233.51, 0.00315223/step, 3.22421 hours remaining, 232.566406 MB of memory in use. ENERGY: 1317800 3935.4428 20514.7513 14477.1619 248.8194 -203503.3047 2562.9591 0.0000 0.0000 52334.0566 -109430.1136 300.7645 -161764.1702 -109064.5940 299.9472 124.5504 158.0934 758293.8460 -0.1963 -0.0528 PRESSURE: 1318000 319.259 -107.934 -24.3613 -107.934 11.148 42.3927 -24.3607 42.3924 189.468 GPRESSURE: 1318000 394.003 -96.3209 -0.15982 -103.531 -21.5061 3.23379 276.337 11.2167 217.897 PRESSAVG: 1318000 65.1269 -42.5943 -16.8168 -42.5943 -93.0285 23.2886 -16.8167 23.2885 19.619 GPRESSAVG: 1318000 65.9314 -43.8334 -19.835 -41.2982 -92.9016 23.8535 -14.5017 21.3782 18.796 TIMING: 1318000 CPU: 4234.14, 0.00314359/step Wall: 4234.14, 0.00314359/step, 3.2152 hours remaining, 232.566406 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: 1318000 4008.7769 20521.5474 14441.5577 266.1687 -203296.0793 2644.4156 0.0000 0.0000 52200.9406 -109212.6722 299.9995 -161413.6129 -108849.7228 300.5713 173.2919 196.7981 760264.4345 -2.7609 -2.7248 PRESSURE: 1318200 138.528 27.2527 -197.411 27.253 -110.117 -73.9283 -197.412 -73.9271 329.018 GPRESSURE: 1318200 85.3521 26.4595 -75.0875 84.9686 -68.5346 -131.244 -235.332 -38.3475 419.838 PRESSAVG: 1318200 34.4561 -25.0371 -67.2757 -25.0372 -26.4764 -8.07024 -67.2757 -8.07017 -2.66784 GPRESSAVG: 1318200 33.6916 -23.4307 -66.5947 -26.1969 -26.9418 -7.84252 -66.7449 -6.3434 -1.09487 TIMING: 1318200 CPU: 4234.77, 0.00314723/step Wall: 4234.77, 0.00314723/step, 3.21874 hours remaining, 232.566406 MB of memory in use. ENERGY: 1318200 4016.1229 20609.1869 14533.8670 258.5910 -203293.8337 2441.9468 0.0000 0.0000 52245.2572 -109188.8618 300.2542 -161434.1190 -108831.5440 300.3859 119.1426 145.5519 760315.2280 1.7706 1.8850 PRESSURE: 1318400 212.724 -191.06 -36.7581 -191.059 -28.7437 13.6861 -36.7585 13.6858 380.185 GPRESSURE: 1318400 221.281 -56.281 -54.5992 -138.882 -15.1844 39.9077 74.0363 28.1363 432.416 PRESSAVG: 1318400 18.178 -22.1716 -48.8169 -22.1716 12.7338 -41.282 -48.8168 -41.2821 -6.58784 GPRESSAVG: 1318400 17.4311 -23.0619 -47.4591 -20.1944 13.836 -41.424 -50.4043 -41.2293 -6.49486 TIMING: 1318400 CPU: 4235.4, 0.00315043/step Wall: 4235.4, 0.00315043/step, 3.22184 hours remaining, 232.566406 MB of memory in use. ENERGY: 1318400 3926.2690 20693.2179 14562.4585 250.3340 -203496.8510 2633.5449 0.0000 0.0000 52017.8411 -109413.1856 298.9472 -161431.0267 -109047.9966 300.1663 188.0550 212.8375 759619.8608 8.1080 8.2574 PRESSURE: 1318600 314.038 65.8404 -44.3158 65.8409 79.1308 -35.9156 -44.3164 -35.9158 53.1202 GPRESSURE: 1318600 378.344 -58.0198 45.6997 20.6639 100.397 -27.0094 47.3745 -163.544 85.4248 PRESSAVG: 1318600 -18.5024 -1.49359 -42.7273 -1.49361 55.7832 -19.5642 -42.7274 -19.5642 -10.3674 GPRESSAVG: 1318600 -16.4775 -0.119034 -43.4059 -3.49721 54.4488 -19.9097 -39.359 -19.9616 -10.8578 TIMING: 1318600 CPU: 4236.03, 0.00314205/step Wall: 4236.03, 0.00314205/step, 3.21309 hours remaining, 232.566406 MB of memory in use. ENERGY: 1318600 4025.1148 20587.9780 14483.9557 228.5554 -203159.8901 2390.0634 0.0000 0.0000 52120.8037 -109323.4191 299.5390 -161444.2228 -108959.3257 299.9109 148.7631 188.0551 759849.9990 8.9711 9.0378 PRESSURE: 1318800 162.357 -47.9458 -141.193 -47.9454 -45.598 119.802 -141.193 119.802 -332.237 GPRESSURE: 1318800 228.716 -25.1083 -186.662 -51.3394 8.83616 131.473 -210.07 94.8557 -368.952 PRESSAVG: 1318800 -4.6863 -57.9805 18.395 -57.9805 -27.024 -41.8339 18.3951 -41.8339 8.07988 GPRESSAVG: 1318800 -5.39599 -59.6036 17.3294 -57.2795 -26.0523 -42.0813 15.8726 -43.0687 7.41793 TIMING: 1318800 CPU: 4236.66, 0.00317613/step Wall: 4236.66, 0.00317613/step, 3.24777 hours remaining, 232.566406 MB of memory in use. ENERGY: 1318800 4077.1582 20508.9535 14552.3254 259.3551 -203365.6751 2466.5091 0.0000 0.0000 52350.6160 -109150.7579 300.8597 -161501.3739 -108788.3360 300.5098 -71.8262 -43.7997 759713.1639 -7.8768 -8.0101 PRESSURE: 1319000 -141.422 25.1231 -201.493 25.1232 69.3904 43.7217 -201.493 43.7221 -489.061 GPRESSURE: 1319000 -40.9457 -1.06449 -276.593 72.6533 41.9675 27.9411 -227.964 5.05158 -490.357 PRESSAVG: 1319000 2.77265 -39.3799 8.37721 -39.3799 -14.2593 21.3803 8.37717 21.3803 -23.6297 GPRESSAVG: 1319000 2.27856 -38.2835 9.58669 -39.0259 -13.6286 22.0788 6.217 21.3011 -23.1533 TIMING: 1319000 CPU: 4237.29, 0.00314566/step Wall: 4237.29, 0.00314566/step, 3.21644 hours remaining, 232.566406 MB of memory in use. ENERGY: 1319000 4060.3217 20738.7579 14472.1399 240.6219 -203088.9591 2240.9412 0.0000 0.0000 51991.6354 -109344.5411 298.7966 -161336.1766 -108979.2501 300.3429 -187.0308 -163.1118 762532.9119 -11.7055 -11.5011 PRESSURE: 1319200 -49.5126 8.82168 24.394 8.82214 -13.1664 33.202 24.3938 33.202 10.7141 GPRESSURE: 1319200 44.5799 -11.6871 39.8768 146.55 -37.6707 8.17801 34.6955 48.7354 16.4858 PRESSAVG: 1319200 11.9561 31.9392 -24.6962 31.9391 -24.5289 -22.7776 -24.6962 -22.7776 1.3642 GPRESSAVG: 1319200 13.3811 30.7833 -24.0099 30.5372 -24.9292 -23.095 -23.0934 -22.247 0.845696 TIMING: 1319200 CPU: 4237.92, 0.00314695/step Wall: 4237.92, 0.00314695/step, 3.21758 hours remaining, 232.566406 MB of memory in use. ENERGY: 1319200 3988.6796 20427.4291 14483.2656 251.4240 -202536.5752 2060.8364 0.0000 0.0000 52094.4304 -109230.5101 299.3874 -161324.9405 -108861.2989 299.8928 -17.3216 7.7983 761095.8694 -3.7362 -3.5675 PRESSURE: 1319400 -73.7526 -155.837 224.551 -155.837 226.631 45.5634 224.55 45.5629 184.861 GPRESSURE: 1319400 34.1121 -85.3634 169.081 -262.083 206.451 75.811 139 93.0648 181.641 PRESSAVG: 1319400 39.4535 11.6252 18.0648 11.6252 -35.3069 -10.082 18.0648 -10.0819 15.3527 GPRESSAVG: 1319400 39.329 12.3921 16.9389 11.6593 -34.9796 -9.2271 17.1461 -9.45342 15.0696 TIMING: 1319400 CPU: 4238.55, 0.00314762/step Wall: 4238.55, 0.00314762/step, 3.21809 hours remaining, 232.566406 MB of memory in use. ENERGY: 1319400 3907.0919 20599.0801 14450.4512 247.5353 -203167.1918 2252.2226 0.0000 0.0000 52463.4624 -109247.3483 301.5082 -161710.8107 -108879.6158 300.3435 112.5799 140.7346 761303.4701 6.4998 6.4730 PRESSURE: 1319600 115.809 -124.399 -93.4158 -124.4 113.996 179.571 -93.4154 179.572 101.3 GPRESSURE: 1319600 97.0845 -135.432 -98.3592 -102.397 125.342 198.745 -144.025 133.944 203.718 PRESSAVG: 1319600 10.5049 -71.0103 9.47951 -71.0104 -22.2044 -30.3805 9.47953 -30.3805 6.36453 GPRESSAVG: 1319600 10.2044 -71.0325 10.6496 -68.7077 -21.8859 -32.3509 11.4385 -30.0265 7.2968 TIMING: 1319600 CPU: 4239.18, 0.00314315/step Wall: 4239.18, 0.00314315/step, 3.21334 hours remaining, 232.566406 MB of memory in use. ENERGY: 1319600 4035.7491 20569.4140 14419.6168 245.4661 -203259.5515 2560.6034 0.0000 0.0000 52248.7966 -109179.9055 300.2746 -161428.7021 -108814.5973 300.1834 110.3684 142.0481 758981.8144 -1.7783 -1.4616 PRESSURE: 1319800 -221.368 -109.749 -2.60884 -109.749 -169.381 34.2513 -2.60851 34.251 -95.8321 GPRESSURE: 1319800 -174.257 -125.726 -81.6387 -171.433 -189.696 -9.14778 18.6805 -26.6525 -32.686 PRESSAVG: 1319800 0.60624 -76.2088 13.9701 -76.2088 10.7328 -11.2822 13.9701 -11.2822 -14.0545 GPRESSAVG: 1319800 0.9798 -77.6151 15.1867 -75.3459 10.3605 -12.1409 13.244 -12.8959 -13.9746 TIMING: 1319800 CPU: 4239.81, 0.00315783/step Wall: 4239.81, 0.00315783/step, 3.22818 hours remaining, 232.566406 MB of memory in use. ENERGY: 1319800 4066.7324 20508.8554 14475.9107 240.2009 -203183.3702 2367.2781 0.0000 0.0000 52335.2681 -109189.1248 300.7715 -161524.3928 -108819.4733 300.9466 -162.1936 -132.2130 758722.7600 -0.9051 -0.8781 PRESSURE: 1320000 -123.263 147.493 -155.947 147.492 -17.9942 -138.192 -155.948 -138.192 0.806608 GPRESSURE: 1320000 -80.1826 111.181 -149.655 184.137 112.951 -71.0805 -118.538 -86.2375 -69.1877 PRESSAVG: 1320000 37.991 -23.2346 3.3755 -23.2346 -18.1773 10.6952 3.37545 10.6952 -2.23903 GPRESSAVG: 1320000 37.8089 -22.7408 1.48952 -26.1193 -18.3128 11.4465 4.00749 12.4835 -2.26875 TIMING: 1320000 CPU: 4240.44, 0.00315512/step Wall: 4240.44, 0.00315512/step, 3.22523 hours remaining, 232.566406 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: 1320000 4015.7395 20540.8860 14439.2411 265.3069 -202748.6021 2104.4078 0.0000 0.0000 52266.0811 -109116.9398 300.3739 -161383.0208 -108749.9122 300.9090 -46.8168 -12.1397 759243.3091 5.8582 5.7424 PRESSURE: 1320200 28.031 -119.146 -55.8497 -119.145 137.79 209.714 -55.8496 209.715 331.185 GPRESSURE: 1320200 82.1629 -122.498 -15.5403 -43.3804 107.833 181.715 -84.9226 49.0382 371.29 PRESSAVG: 1320200 10.9598 -50.4453 0.950801 -50.4453 4.30454 8.43087 0.950773 8.43093 7.58878 GPRESSAVG: 1320200 11.9059 -51.2494 0.930095 -47.8881 3.32923 8.94013 0.481619 6.51944 7.66396 TIMING: 1320200 CPU: 4241.08, 0.00320228/step Wall: 4241.08, 0.00320228/step, 3.27326 hours remaining, 232.566406 MB of memory in use. ENERGY: 1320200 3951.3797 20751.1127 14523.3377 259.8930 -203153.7979 2358.3624 0.0000 0.0000 52167.0563 -109142.6563 299.8048 -161309.7125 -108788.1404 300.4340 165.6688 187.0952 758866.9033 7.6177 7.6330 LDB: ============= START OF LOAD BALANCING ============== 4253.51 LDB: ============== END OF LOAD BALANCING =============== 4253.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4253.51 LDB: ============= START OF LOAD BALANCING ============== 4253.83 LDB: Largest compute 7068 load 0.037028 is 19.0% of average load 0.195188 LDB: Average compute 0.004388 is 2.2% of average load 0.195188 LDB: TIME 4253.83 LOAD: AVG 0.195188 MAX 0.214502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.074 MB LDB: TIME 4253.84 LOAD: AVG 0.195188 MAX 0.214502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: TIME 4253.84 LOAD: AVG 0.195188 MAX 0.214502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: ============== END OF LOAD BALANCING =============== 4253.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4253.84 PRESSURE: 1320400 -114.751 -136.444 -34.0527 -136.445 -347.302 270.722 -34.0528 270.723 -157.834 GPRESSURE: 1320400 -117.575 -107.641 31.1744 -135.619 -283.323 175.088 41.9554 295.421 -132.775 PRESSAVG: 1320400 20.4532 -37.2501 13.5642 -37.2502 -35.8468 39.1893 13.5642 39.1893 2.76523 GPRESSAVG: 1320400 19.4669 -36.2929 13.4694 -38.9411 -35.1993 39.796 13.0282 39.1286 2.67474 TIMING: 1320400 CPU: 4241.74, 0.00325783/step Wall: 4241.74, 0.00325783/step, 3.32986 hours remaining, 231.523438 MB of memory in use. ENERGY: 1320400 3979.2431 20465.9660 14474.7687 257.6355 -202875.4543 2165.4234 0.0000 0.0000 52304.6179 -109227.7996 300.5954 -161532.4175 -108851.2285 300.4381 -206.6290 -177.8909 759642.8032 -4.2095 -4.3526 PRESSURE: 1320600 -9.54872 58.8875 10.0709 58.8887 -127.332 83.0058 10.0707 83.0046 -286.308 GPRESSURE: 1320600 4.71517 173.427 -5.34071 16.6392 -88.625 135.663 -50.0514 234.31 -243.098 PRESSAVG: 1320600 7.98806 -26.5691 -17.1434 -26.5691 39.1069 -9.69195 -17.1434 -9.69195 26.7326 GPRESSAVG: 1320600 8.69009 -23.3249 -16.3013 -26.6867 38.9628 -10.1737 -16.8269 -6.75994 26.4185 TIMING: 1320600 CPU: 4242.37, 0.00317582/step Wall: 4242.37, 0.00317582/step, 3.24586 hours remaining, 231.726562 MB of memory in use. ENERGY: 1320600 4005.7880 20670.3955 14492.8247 231.2032 -202946.3764 2065.8893 0.0000 0.0000 52412.7083 -109067.5673 301.2166 -161480.2756 -108702.7637 300.6422 -141.0629 -109.0026 760653.0014 24.6092 24.6905 PRESSURE: 1320800 -347.478 -19.5125 87.2692 -19.5125 -395.135 183.03 87.2692 183.032 -261.769 GPRESSURE: 1320800 -295.042 -49.4347 34.5318 40.4993 -405.516 141.954 73.9308 138.438 -216.443 PRESSAVG: 1320800 9.50311 -17.2996 1.07324 -17.2996 -12.2785 29.2953 1.07324 29.2953 -2.52994 GPRESSAVG: 1320800 9.15895 -18.1316 -1.67446 -17.8145 -13.2919 29.1658 1.02986 26.3565 -1.68031 TIMING: 1320800 CPU: 4243.01, 0.00320599/step Wall: 4243.01, 0.00320599/step, 3.27652 hours remaining, 231.726562 MB of memory in use. ENERGY: 1320800 3951.4362 20797.3150 14512.1801 254.1405 -202752.1154 2063.7096 0.0000 0.0000 52245.6920 -108927.6420 300.2567 -161173.3340 -108561.8294 300.7564 -334.7939 -305.6669 761312.3359 -1.7684 -1.9378 PRESSURE: 1321000 304.783 91.0302 -39.2154 91.0306 -260.141 76.2193 -39.2151 76.219 197.699 GPRESSURE: 1321000 237.082 116.093 -4.4484 21.4922 -167.226 -4.0356 -20.0581 177.406 244.294 PRESSAVG: 1321000 3.39929 -14.8554 -62.7405 -14.8554 -16.1678 -13.4614 -62.7405 -13.4615 -10.3921 GPRESSAVG: 1321000 3.83881 -16.5699 -60.5826 -15.7293 -14.7485 -14.2221 -64.1802 -11.402 -12.034 TIMING: 1321000 CPU: 4243.65, 0.00317012/step Wall: 4243.65, 0.00317012/step, 3.23969 hours remaining, 231.726562 MB of memory in use. ENERGY: 1321000 3990.3806 20711.6853 14469.5033 258.6840 -203316.3522 2340.3875 0.0000 0.0000 52220.1159 -109325.5956 300.1097 -161545.7114 -108960.1105 300.7957 80.7799 104.7168 759565.5254 -7.7202 -7.6479 PRESSURE: 1321200 144.186 -87.9178 145.843 -87.9175 132.53 -105.454 145.843 -105.453 147.825 GPRESSURE: 1321200 90.3706 -136.359 70.3122 20.3446 215.094 -115.076 62.6249 -179.321 188.025 PRESSAVG: 1321200 -33.0235 -65.0121 -27.284 -65.0122 28.953 -35.1479 -27.284 -35.1479 -15.0366 GPRESSAVG: 1321200 -34.2035 -64.427 -28.4296 -64.6141 30.3743 -34.4577 -25.4569 -35.3475 -15.8454 TIMING: 1321200 CPU: 4244.28, 0.00318427/step Wall: 4244.28, 0.00318427/step, 3.25397 hours remaining, 231.726562 MB of memory in use. ENERGY: 1321200 4069.5700 20692.9989 14482.2775 260.7625 -203388.4850 2495.1266 0.0000 0.0000 52087.4839 -109300.2657 299.3475 -161387.7496 -108946.5591 300.6216 141.5136 164.4963 760066.2441 -6.3691 -6.5582 PRESSURE: 1321400 -74.2126 102.104 -48.0539 102.104 -267.06 -103.31 -48.0539 -103.309 -243.859 GPRESSURE: 1321400 1.16716 78.7073 -18.7849 17.346 -269.229 -132.292 -52.4465 -98.7452 -240.52 PRESSAVG: 1321400 0.771888 10.0846 26.9997 10.0846 -19.6103 -37.0609 26.9997 -37.0609 -2.0898 GPRESSAVG: 1321400 1.1378 8.80186 28.5156 11.5563 -20.9059 -38.9577 25.0786 -38.9191 -1.05775 TIMING: 1321400 CPU: 4244.92, 0.00317106/step Wall: 4244.92, 0.00317106/step, 3.24029 hours remaining, 231.925781 MB of memory in use. ENERGY: 1321400 3998.7214 20398.4996 14423.0583 250.0770 -202948.4830 2130.7347 0.0000 0.0000 52203.9548 -109543.4372 300.0168 -161747.3920 -109174.7114 299.6980 -195.0441 -169.5274 761469.4973 -6.9761 -6.9419 PRESSURE: 1321600 -70.5439 -89.8298 -179.519 -89.8293 -265.504 -214.056 -179.519 -214.056 230.871 GPRESSURE: 1321600 -35.162 -78.3267 -158.292 -97.8194 -260.987 -259.171 -230.747 -187.906 267.456 PRESSAVG: 1321600 -8.16332 -4.71899 -15.6355 -4.719 25.0821 25.1155 -15.6355 25.1155 0.928855 GPRESSAVG: 1321600 -8.56872 -3.23651 -16.379 -6.71808 26.087 27.4226 -14.5824 25.6769 0.331265 TIMING: 1321600 CPU: 4245.55, 0.00317268/step Wall: 4245.55, 0.00317268/step, 3.24177 hours remaining, 231.925781 MB of memory in use. ENERGY: 1321600 3987.9422 20595.0488 14451.1538 265.3628 -203391.9860 2378.1008 0.0000 0.0000 51992.9499 -109721.4277 298.8042 -161714.3776 -109371.1822 299.7953 -35.0592 -9.5643 760758.3486 5.9492 5.9498 PRESSURE: 1321800 -297.973 -82.6696 -65.836 -82.6692 -12.9234 -50.3349 -65.8361 -50.3351 68.1353 GPRESSURE: 1321800 -232.002 -79.1031 -107.934 -145.55 -67.8273 -106.657 -160.263 79.8213 147.369 PRESSAVG: 1321800 49.8916 16.3355 -59.9337 16.3355 -13.3346 -1.73435 -59.9337 -1.73438 7.21967 GPRESSAVG: 1321800 50.7041 16.9382 -61.9577 15.9884 -14.7907 -0.984864 -58.6654 -0.922961 7.19083 TIMING: 1321800 CPU: 4246.19, 0.00319811/step Wall: 4246.19, 0.00319811/step, 3.26758 hours remaining, 231.925781 MB of memory in use. ENERGY: 1321800 4032.2524 20437.1123 14401.3599 256.5907 -202963.8426 2005.0775 0.0000 0.0000 52236.5316 -109594.9182 300.2041 -161831.4498 -109229.7482 299.4802 -80.9202 -50.8200 760518.0204 14.5922 14.3681 PRESSURE: 1322000 173.188 -9.02041 -101.727 -9.02047 -45.8234 -121.618 -101.727 -121.62 21.9678 GPRESSURE: 1322000 160.171 33.0537 -170.628 -17.1032 48.7588 -17.7254 1.28323 -73.1638 18.4166 PRESSAVG: 1322000 71.9737 -56.1666 -5.56738 -56.1665 -46.6597 -27.7303 -5.56736 -27.7302 -4.52091 GPRESSAVG: 1322000 70.5744 -55.9485 -4.11216 -56.3214 -45.8367 -28.4094 -6.40234 -26.9411 -3.76821 TIMING: 1322000 CPU: 4246.83, 0.0031729/step Wall: 4246.83, 0.0031729/step, 3.24164 hours remaining, 231.925781 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: 1322000 4001.7240 20446.0896 14518.7989 270.1152 -203409.3910 2413.1160 0.0000 0.0000 52069.9471 -109689.6003 299.2467 -161759.5474 -109330.6438 298.9487 49.7775 75.7822 759889.0956 6.9310 6.9898 PRESSURE: 1322200 -38.4689 28.9581 48.5284 28.9588 -44.2471 122.306 48.5288 122.305 -82.5788 GPRESSURE: 1322200 100.608 -11.2562 94.2878 95.4991 -87.501 171.388 60.8944 70.2309 -92.6296 PRESSAVG: 1322200 -23.4147 -94.7192 -4.38785 -94.7192 -10.8842 21.4158 -4.38785 21.4158 -15.6244 GPRESSAVG: 1322200 -21.6954 -94.4435 -3.7994 -93.8538 -10.805 19.9968 -2.86435 18.6941 -16.5701 TIMING: 1322200 CPU: 4247.46, 0.00317023/step Wall: 4247.46, 0.00317023/step, 3.23875 hours remaining, 231.925781 MB of memory in use. ENERGY: 1322200 3969.6464 20511.8664 14453.7274 250.3348 -203348.6806 2342.6924 0.0000 0.0000 52010.2283 -109810.1847 298.9035 -161820.4130 -109443.1371 298.6984 -55.0983 -26.5076 760234.4200 -16.6411 -16.3568 PRESSURE: 1322400 -502.756 108.349 66.6528 108.348 -296.951 84.4696 66.6542 84.4705 -323.182 GPRESSURE: 1322400 -428.559 88.1131 11.8635 125.611 -314.286 26.0383 -31.2 75.7038 -309.061 PRESSAVG: 1322400 17.138 1.57986 37.1182 1.57989 -20.278 -8.50519 37.1182 -8.50515 27.4223 GPRESSAVG: 1322400 16.2629 0.610499 37.386 2.41481 -20.5374 -6.54341 35.6216 -7.66887 28.0926 TIMING: 1322400 CPU: 4248.1, 0.00318244/step Wall: 4248.1, 0.00318244/step, 3.25104 hours remaining, 231.925781 MB of memory in use. ENERGY: 1322400 3939.4378 20414.6881 14451.2285 275.5325 -203289.6870 2443.4709 0.0000 0.0000 52114.5028 -109650.8264 299.5028 -161765.3292 -109283.4351 298.6801 -374.2962 -350.6353 761303.3529 8.0941 7.9394 PRESSURE: 1322600 -13.5408 39.0355 -201.312 39.0352 185.498 -52.0164 -201.312 -52.017 -266.026 GPRESSURE: 1322600 -31.5077 48.6481 -113.496 5.72926 187.814 -110.43 -162.122 36.1796 -167.782 PRESSAVG: 1322600 -45.6063 -17.1537 1.02916 -17.1537 28.9407 52.3843 1.02918 52.3843 4.66804 GPRESSAVG: 1322600 -45.0964 -18.7137 0.894923 -18.559 28.413 50.5789 1.69948 54.8839 4.46805 TIMING: 1322600 CPU: 4248.74, 0.00320159/step Wall: 4248.74, 0.00320159/step, 3.27042 hours remaining, 231.925781 MB of memory in use. ENERGY: 1322600 4007.1964 20533.3186 14363.6376 247.1533 -202997.7154 2265.2621 0.0000 0.0000 51982.0169 -109599.1305 298.7414 -161581.1474 -109239.9538 299.1209 -31.3562 -3.8252 759467.1725 -3.9992 -4.0718 PRESSURE: 1322800 -260.824 219.281 202.534 219.282 -4.4718 257.359 202.534 257.359 -87.9659 GPRESSURE: 1322800 -95.0025 311.5 193.119 209.728 -51.2508 235.785 101.864 158.34 -125.184 PRESSAVG: 1322800 46.6476 -10.5569 24.6616 -10.5569 -0.971095 37.9785 24.6617 37.9784 0.310846 GPRESSAVG: 1322800 46.3717 -9.63008 23.5626 -9.90125 -1.06988 38.634 22.0919 33.2022 0.457785 TIMING: 1322800 CPU: 4249.37, 0.00317339/step Wall: 4249.37, 0.00317339/step, 3.24145 hours remaining, 231.925781 MB of memory in use. ENERGY: 1322800 4019.7098 20588.0797 14366.0041 223.9314 -203254.2141 2270.9188 0.0000 0.0000 52284.3365 -109501.2338 300.4788 -161785.5703 -109141.0213 299.9345 -117.7540 -90.4791 760556.7847 15.3291 15.2532 PRESSURE: 1323000 -67.1424 100.283 -255.691 100.284 -26.3871 83.2971 -255.691 83.2982 -269.207 GPRESSURE: 1323000 4.61474 37.7603 -252.934 -29.5422 -38.9921 56.8088 -110.508 169.289 -243.37 PRESSAVG: 1323000 -8.93496 -33.9245 -17.9098 -33.9244 -34.472 60.806 -17.9098 60.8061 4.30567 GPRESSAVG: 1323000 -8.7373 -31.0056 -17.3642 -33.8848 -33.4949 59.852 -18.0809 63.6214 3.33039 TIMING: 1323000 CPU: 4250.01, 0.00319843/step Wall: 4250.01, 0.00319843/step, 3.26684 hours remaining, 231.925781 MB of memory in use. ENERGY: 1323000 4038.1742 20665.4090 14400.5662 252.3092 -203204.9872 2205.8292 0.0000 0.0000 51870.2505 -109772.4489 298.0990 -161642.6994 -109426.0269 299.2034 -120.9122 -92.5826 761061.0072 -13.0338 -12.9673 PRESSURE: 1323200 257.429 -100.214 -73.8705 -100.215 187.088 -263.575 -73.8706 -263.575 -2.92921 GPRESSURE: 1323200 232.016 -176.771 -59.4326 22.1822 245.666 -220.384 -92.7833 -242.339 41.6081 PRESSAVG: 1323200 -19.7732 -13.9285 -69.6152 -13.9286 -35.4085 -4.40595 -69.6153 -4.40602 -22.5253 GPRESSAVG: 1323200 -20.0483 -15.7215 -70.4604 -13.111 -36.2268 -2.09351 -68.0913 -3.53298 -21.4511 TIMING: 1323200 CPU: 4250.66, 0.00323828/step Wall: 4250.66, 0.00323828/step, 3.30736 hours remaining, 231.925781 MB of memory in use. ENERGY: 1323200 3897.1262 20483.0530 14353.2666 227.3318 -203374.5111 2540.7335 0.0000 0.0000 52129.9151 -109743.0850 299.5913 -161873.0001 -109382.9646 298.8904 147.1960 173.0964 761046.1114 -25.9024 -25.9087 PRESSURE: 1323400 -27.164 182.116 83.1855 182.116 -81.6147 108.182 83.1861 108.182 -108.124 GPRESSURE: 1323400 25.2979 76.9898 35.8549 156.471 -2.44039 77.8526 74.8856 237.37 -133.283 PRESSAVG: 1323400 29.5681 -46.7 1.72671 -46.7 -77.1405 38.4065 1.72668 38.4065 20.9198 GPRESSAVG: 1323400 29.7377 -48.2592 1.41724 -47.2481 -75.67 36.2954 2.63798 38.9888 20.0194 TIMING: 1323400 CPU: 4251.3, 0.00318325/step Wall: 4251.3, 0.00318325/step, 3.25098 hours remaining, 231.925781 MB of memory in use. ENERGY: 1323400 3956.1901 20595.5993 14449.9555 248.2263 -203641.1121 2601.4116 0.0000 0.0000 52217.1921 -109572.5372 300.0929 -161789.7294 -109213.6645 299.0596 -72.3009 -36.8084 759709.6438 -8.8842 -8.6376 PRESSURE: 1323600 456.08 47.2264 5.94095 47.2265 296.219 39.5744 5.94112 39.5738 -79.4425 GPRESSURE: 1323600 541.076 84.0229 73.5742 -78.0227 297.296 92.3156 29.3542 -20.3151 -67.9344 PRESSAVG: 1323600 61.7219 6.20017 -7.07787 6.2001 -45.3466 -2.44987 -7.07787 -2.44981 -18.967 GPRESSAVG: 1323600 62.1626 6.76044 -6.59181 8.29805 -45.4435 -1.5761 -8.48959 -4.59322 -19.0609 TIMING: 1323600 CPU: 4251.93, 0.00319427/step Wall: 4251.93, 0.00319427/step, 3.26206 hours remaining, 231.925781 MB of memory in use. ENERGY: 1323600 4024.6173 20462.3609 14445.3932 258.5651 -203340.7878 2573.7083 0.0000 0.0000 51975.8185 -109600.3245 298.7057 -161576.1430 -109248.4634 299.0638 224.2857 256.8126 759726.4683 -0.8639 -0.7806 PRESSURE: 1323800 -295.081 -69.4636 77.8303 -69.4639 -167.023 -217.403 77.8315 -217.404 36.2255 GPRESSURE: 1323800 -162.83 -90.746 48.8337 -30.0094 -144.399 -281.018 62.7436 -99.2512 -23.8936 PRESSAVG: 1323800 20.5837 21.1048 39.1625 21.1047 -14.5689 -13.4747 39.1624 -13.4747 -32.1282 GPRESSAVG: 1323800 19.4246 20.1285 39.7347 17.7768 -14.9413 -11.7701 39.6141 -13.1162 -30.4788 TIMING: 1323800 CPU: 4252.57, 0.00319499/step Wall: 4252.57, 0.00319499/step, 3.26262 hours remaining, 231.925781 MB of memory in use. ENERGY: 1323800 3989.0190 20363.6615 14451.8471 251.5309 -202994.0043 2135.8923 0.0000 0.0000 52087.6925 -109714.3610 299.3487 -161802.0536 -109349.8158 299.0834 -141.9596 -110.3743 760167.8521 -8.7045 -8.6652 PRESSURE: 1324000 86.3239 -11.3757 213.999 -11.3772 -108.516 49.8504 213.999 49.8497 -14.1543 GPRESSURE: 1324000 120.877 -130.462 155.729 69.6086 -66.6667 170.532 150 53.9721 -9.6016 PRESSAVG: 1324000 59.6485 31.7936 -37.9612 31.7937 -44.1952 44.8666 -37.9612 44.8665 13.4894 GPRESSAVG: 1324000 60.691 31.0755 -39.4782 33.5962 -45.3534 44.4651 -39.2217 45.1103 13.9802 TIMING: 1324000 CPU: 4253.21, 0.00320587/step Wall: 4253.21, 0.00320587/step, 3.27355 hours remaining, 231.925781 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: 1324000 3964.3434 20378.8880 14418.7120 248.6442 -202792.9907 2176.9749 0.0000 0.0000 52025.9889 -109579.4394 298.9941 -161605.4283 -109217.2895 299.0492 -12.1155 14.8697 760545.7789 9.6476 9.7726 PRESSURE: 1324200 51.8769 189.339 -97.131 189.34 54.7785 280.997 -97.131 280.996 32.337 GPRESSURE: 1324200 125.442 151.69 -49.6438 176.152 50.473 178.776 -104.358 252.572 46.6723 PRESSAVG: 1324200 2.48549 13.232 -71.5168 13.232 26.522 8.73791 -71.5168 8.73785 15.5279 GPRESSAVG: 1324200 1.7857 14.595 -72.1119 12.9214 26.4076 5.83475 -69.0895 9.48859 15.8546 TIMING: 1324200 CPU: 4253.86, 0.00321756/step Wall: 4253.86, 0.00321756/step, 3.2853 hours remaining, 231.925781 MB of memory in use. ENERGY: 1324200 3980.9688 20431.4723 14490.9092 251.5867 -203210.0211 2483.3190 0.0000 0.0000 52128.3054 -109443.4598 299.5821 -161571.7652 -109087.0337 299.2202 46.3308 74.1957 760748.9082 14.8451 14.6826 LDB: ============= START OF LOAD BALANCING ============== 4266.29 LDB: ============== END OF LOAD BALANCING =============== 4266.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4266.29 LDB: ============= START OF LOAD BALANCING ============== 4266.61 LDB: Largest compute 7071 load 0.035466 is 18.2% of average load 0.195166 LDB: Average compute 0.004394 is 2.3% of average load 0.195166 LDB: TIME 4266.62 LOAD: AVG 0.195166 MAX 0.214399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.199 MB LDB: TIME 4266.62 LOAD: AVG 0.195166 MAX 0.214399 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.199 MB LDB: TIME 4266.62 LOAD: AVG 0.195166 MAX 0.214399 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.199 MB LDB: ============== END OF LOAD BALANCING =============== 4266.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4266.63 PRESSURE: 1324400 -177.781 -116.774 186.01 -116.775 -54.4253 35.382 186.011 35.3821 72.8598 GPRESSURE: 1324400 -54.9869 -129.567 -21.2087 -47.4955 -67.6191 -1.30809 211.492 136.761 57.1364 PRESSAVG: 1324400 -7.98561 -31.1932 -24.7008 -31.1933 12.5222 -10.2699 -24.7008 -10.27 25.4949 GPRESSAVG: 1324400 -7.60245 -30.0058 -22.2894 -32.2093 13.6557 -8.47053 -27.5164 -12.9503 23.8581 TIMING: 1324400 CPU: 4254.52, 0.00330689/step Wall: 4254.52, 0.00330689/step, 3.37633 hours remaining, 231.312500 MB of memory in use. ENERGY: 1324400 4074.8872 20491.3400 14448.3621 228.3505 -203085.2922 2400.4905 0.0000 0.0000 51874.6595 -109567.2025 298.1244 -161441.8620 -109207.7472 299.4772 -53.1155 -21.8232 761329.5723 10.0105 9.9704 PRESSURE: 1324600 133.005 -40.8941 -92.3873 -40.8946 425.676 -48.7471 -92.3867 -48.7464 -177.623 GPRESSURE: 1324600 163.429 72.2261 -79.2838 -171.162 373.278 -27.7547 5.35351 -37.0982 -56.7575 PRESSAVG: 1324600 27.871 -14.4784 -5.17316 -14.4784 -27.1905 -21.2354 -5.17309 -21.2354 -1.41498 GPRESSAVG: 1324600 26.3452 -14.6987 -7.10216 -12.4699 -26.689 -20.7866 -4.44178 -17.2495 -0.0205791 TIMING: 1324600 CPU: 4255.16, 0.00319052/step Wall: 4255.16, 0.00319052/step, 3.25734 hours remaining, 231.515625 MB of memory in use. ENERGY: 1324600 3995.0343 20574.6370 14449.2426 231.8208 -203335.1840 2715.6270 0.0000 0.0000 51787.0753 -109581.7470 297.6210 -161368.8223 -109225.6950 299.0547 127.0192 159.9830 760911.3585 -0.2448 -0.1215 PRESSURE: 1324800 79.6589 -129.808 -68.4566 -129.809 -650.073 -14.5027 -68.4571 -14.5026 89.458 GPRESSURE: 1324800 30.3852 -103.934 -9.60082 -118.885 -483.592 40.2222 -121.854 -159.139 79.5915 PRESSAVG: 1324800 -14.8721 0.995921 -22.1323 0.995846 21.4298 -9.63523 -22.1323 -9.63522 14.8974 GPRESSAVG: 1324800 -14.6314 0.464126 -19.0478 0.214296 21.741 -10.3093 -20.7734 -10.1094 14.0842 TIMING: 1324800 CPU: 4255.8, 0.00321039/step Wall: 4255.8, 0.00321039/step, 3.27745 hours remaining, 231.515625 MB of memory in use. ENERGY: 1324800 3992.5292 20318.1800 14315.6322 238.0388 -202703.7385 2217.6905 0.0000 0.0000 52166.8350 -109454.8327 299.8035 -161621.6678 -109092.1188 299.2161 -160.3188 -124.5383 761574.4776 7.1517 7.0646 PRESSURE: 1325000 -213.1 35.1138 -223.511 35.1139 -160.479 34.0723 -223.51 34.0728 43.4829 GPRESSURE: 1325000 -166.176 62.0755 -194.136 -16.5049 -152.942 6.23931 -331.09 107.586 72.9108 PRESSAVG: 1325000 56.2517 -64.9825 -3.89746 -64.9825 -32.7785 11.3567 -3.89746 11.3567 -27.3538 GPRESSAVG: 1325000 57.9349 -65.0663 -7.05234 -64.5245 -33.5294 11.9904 -7.16686 10.7731 -27.9072 TIMING: 1325000 CPU: 4256.44, 0.00319127/step Wall: 4256.44, 0.00319127/step, 3.25775 hours remaining, 231.515625 MB of memory in use. ENERGY: 1325000 3969.1593 20586.5301 14454.8765 242.5913 -202683.4686 2052.9596 0.0000 0.0000 51834.1672 -109543.1846 297.8917 -161377.3517 -109179.0576 298.8750 -110.0321 -82.0689 761062.3715 -1.2935 -1.1672 PRESSURE: 1325200 324.105 -41.5143 -70.0008 -41.5145 96.3585 27.4085 -70.0001 27.4085 58.1644 GPRESSURE: 1325200 315.979 32.2052 -42.6744 -72.7401 116.462 66.3425 3.77233 90.6804 129.736 PRESSAVG: 1325200 -14.5073 -4.05895 -11.6145 -4.05892 8.67322 -17.8612 -11.6145 -17.8612 -18.7744 GPRESSAVG: 1325200 -16.1892 -3.95696 -10.1069 -5.67255 9.84919 -17.1055 -9.44201 -18.9337 -18.1845 TIMING: 1325200 CPU: 4257.07, 0.00318133/step Wall: 4257.07, 0.00318133/step, 3.24743 hours remaining, 231.515625 MB of memory in use. ENERGY: 1325200 3916.0465 20542.9494 14412.9686 253.6693 -203065.6063 2335.3712 0.0000 0.0000 52059.1207 -109545.4805 299.1845 -161604.6012 -109179.0207 299.0137 159.5427 187.3923 761244.7061 -8.2028 -8.1748 PRESSURE: 1325400 351.555 -81.0905 -157.667 -81.0912 -2.39651 31.3054 -157.667 31.3065 19.6878 GPRESSURE: 1325400 317.097 -18.6166 -206.62 -95.3513 117.813 29.4205 -152.531 -68.4165 5.72632 PRESSAVG: 1325400 17.985 -41.181 -2.59395 -41.181 -8.7896 73.5818 -2.59395 73.5817 -7.88536 GPRESSAVG: 1325400 18.4241 -43.4565 -4.33656 -40.4856 -10.4152 73.552 -2.96896 73.4033 -6.64101 TIMING: 1325400 CPU: 4257.71, 0.00319733/step Wall: 4257.71, 0.00319733/step, 3.26359 hours remaining, 231.515625 MB of memory in use. ENERGY: 1325400 3901.0201 20533.0647 14411.2796 258.1823 -203020.6798 2347.8216 0.0000 0.0000 52256.2031 -109313.1084 300.3171 -161569.3116 -108945.7102 299.5809 122.9488 146.8789 760045.3254 0.4367 0.4560 PRESSURE: 1325600 91.4173 -28.4856 -254.956 -28.4854 -23.8322 -347.459 -254.955 -347.46 -219.409 GPRESSURE: 1325600 120.201 103.193 -213.355 -134.309 -16.8751 -336.205 -149.863 -206.923 -168.065 PRESSAVG: 1325600 37.1504 -10.5248 62.0494 -10.5249 -35.5756 31.6039 62.0494 31.6039 8.62347 GPRESSAVG: 1325600 37.5454 -8.09412 64.6087 -12.247 -34.9441 30.8667 62.1367 31.9249 8.06637 TIMING: 1325600 CPU: 4258.35, 0.00320404/step Wall: 4258.35, 0.00320404/step, 3.27026 hours remaining, 231.515625 MB of memory in use. ENERGY: 1325600 4021.7522 20735.0283 14453.7217 234.6131 -203171.0708 2432.3624 0.0000 0.0000 52230.3795 -109063.2135 300.1687 -161293.5930 -108701.4922 299.7489 -50.6079 -21.5796 762598.2456 3.3994 3.5559 PRESSURE: 1325800 319.281 119.281 137.844 119.281 69.1445 246.325 137.845 246.325 156.66 GPRESSURE: 1325800 296.368 -55.4693 164.109 59.5242 158.342 203.447 21.9846 275.15 175.248 PRESSAVG: 1325800 62.064 -37.9442 -4.02211 -37.9441 -41.9802 56.3874 -4.02209 56.3875 3.04718 GPRESSAVG: 1325800 62.5599 -39.1131 -5.84607 -35.7061 -41.4779 57.9064 -2.39409 56.3511 2.24523 TIMING: 1325800 CPU: 4258.99, 0.00318816/step Wall: 4258.99, 0.00318816/step, 3.25387 hours remaining, 231.515625 MB of memory in use. ENERGY: 1325800 4061.3915 20521.1108 14498.7468 248.9257 -203097.8497 2499.9540 0.0000 0.0000 52366.6489 -108901.0720 300.9519 -161267.7209 -108537.5913 300.0813 181.6951 209.9858 760182.2582 7.7103 7.7757 PRESSURE: 1326000 -382.39 -125.781 -110.382 -125.782 -114.567 -181.399 -110.382 -181.399 -27.4115 GPRESSURE: 1326000 -324.958 -114.653 -90.9229 -146.54 -85.1529 -170.019 -58.8411 -90.2262 -32.144 PRESSAVG: 1326000 3.76067 10.3976 -15.0379 10.3976 23.2036 115.239 -15.0379 115.239 13.7097 GPRESSAVG: 1326000 2.03259 9.06215 -14.9093 8.19252 24.1687 112.604 -16.2662 114.739 14.3474 TIMING: 1326000 CPU: 4259.63, 0.00320433/step Wall: 4259.63, 0.00320433/step, 3.2702 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 4076.7528 20549.6313 14488.5112 246.1101 -202998.4088 2319.9099 0.0000 0.0000 52321.2026 -108996.2910 300.6907 -161317.4936 -108630.8565 301.0760 -174.7894 -147.4184 762415.3764 13.5580 13.5162 PRESSURE: 1326200 149.669 69.7368 -14.1143 69.7367 193.336 -192.284 -14.1135 -192.285 -22.8577 GPRESSURE: 1326200 212.703 138.31 9.71707 13.9249 199.273 -176.317 15.2734 -189.162 -5.51696 PRESSAVG: 1326200 -24.3987 -21.9669 16.3491 -21.9669 27.2921 5.45687 16.3491 5.45683 -15.9899 GPRESSAVG: 1326200 -22.1286 -21.2165 16.3708 -20.1706 25.4545 6.28935 16.6209 8.11654 -16.5465 TIMING: 1326200 CPU: 4260.28, 0.00322489/step Wall: 4260.28, 0.00322489/step, 3.291 hours remaining, 231.515625 MB of memory in use. ENERGY: 1326200 4039.4681 20600.1628 14417.8239 231.7851 -203186.3230 2704.9270 0.0000 0.0000 52279.4895 -108912.6666 300.4509 -161192.1561 -108554.8759 300.9649 106.7155 135.4865 760136.5201 -4.3655 -4.4069 PRESSURE: 1326400 -339.535 -5.52399 119.986 -5.52348 -228.111 58.1019 119.987 58.1019 -526.888 GPRESSURE: 1326400 -322.208 -21.3086 146.854 -147.1 -183.718 98.5807 -32.8077 -148.502 -511.233 PRESSAVG: 1326400 37.181 17.1935 19.4097 17.1935 -9.03435 44.5014 19.4097 44.5013 9.87657 GPRESSAVG: 1326400 36.9545 16.8694 20.4489 19.0225 -7.37216 46.141 19.0939 43.7902 8.74499 TIMING: 1326400 CPU: 4260.92, 0.00321671/step Wall: 4260.92, 0.00321671/step, 3.28247 hours remaining, 231.515625 MB of memory in use. ENERGY: 1326400 4009.1775 20617.7518 14393.2632 238.5366 -202812.7691 2320.9062 0.0000 0.0000 52286.8556 -108946.2781 300.4933 -161233.1337 -108591.0968 300.4551 -364.8446 -339.0530 762832.8013 12.6744 12.7758 PRESSURE: 1326600 35.1623 90.2371 -12.0279 90.2375 -203.289 75.5267 -12.0281 75.5267 -298.189 GPRESSURE: 1326600 22.813 71.6514 -60.9467 -16.3563 -30.5319 227.345 -18.8153 108.774 -347.508 PRESSAVG: 1326600 8.3947 34.7871 21.3008 34.7872 5.92335 26.0907 21.3008 26.0907 -8.21301 GPRESSAVG: 1326600 6.58996 33.6598 19.7419 32.6864 6.72619 24.2592 22.4714 25.1638 -7.59272 TIMING: 1326600 CPU: 4261.56, 0.00321282/step Wall: 4261.56, 0.00321282/step, 3.27832 hours remaining, 231.515625 MB of memory in use. ENERGY: 1326600 3930.9361 20611.1229 14398.0572 257.1214 -202911.0018 2343.5496 0.0000 0.0000 52108.3622 -109261.8523 299.4675 -161370.2145 -108902.8222 300.3978 -155.4386 -118.4091 761930.2947 2.0350 1.9078 PRESSURE: 1326800 -172.055 47.8617 47.2001 47.8617 -28.59 -87.1377 47.1997 -87.1378 92.1369 GPRESSURE: 1326800 -65.1726 43.8342 36.3781 33.1385 -73.9891 -91.6679 81.3135 -59.8817 119.371 PRESSAVG: 1326800 -41.0049 -22.8132 11.0069 -22.8132 71.8187 63.576 11.0069 63.576 5.35023 GPRESSAVG: 1326800 -39.3925 -21.2623 12.7326 -22.2555 69.6418 63.9401 10.3211 64.3294 5.53266 TIMING: 1326800 CPU: 4262.2, 0.00317102/step Wall: 4262.2, 0.00317102/step, 3.2355 hours remaining, 231.515625 MB of memory in use. ENERGY: 1326800 3959.4738 20387.1209 14448.1350 232.3515 -202651.7636 2148.7860 0.0000 0.0000 52173.9449 -109301.9514 299.8444 -161475.8963 -108934.0625 299.7229 -36.1693 -6.5970 761600.1138 12.0547 11.9273 PRESSURE: 1327000 20.5646 85.3785 22.175 85.3788 72.5332 -11.6888 22.1754 -11.689 -122.625 GPRESSURE: 1327000 62.9657 -27.9769 -5.04174 42.4408 136.979 -31.6518 98.8182 12.404 -149.302 PRESSAVG: 1327000 -5.55443 -3.42393 -10.466 -3.42392 -37.9637 27.2606 -10.4661 27.2605 -13.7834 GPRESSAVG: 1327000 -6.42603 -3.27745 -12.2723 -5.99169 -35.9048 27.9978 -10.4873 28.3328 -15.1054 TIMING: 1327000 CPU: 4262.83, 0.00315734/step Wall: 4262.83, 0.00315734/step, 3.22137 hours remaining, 231.515625 MB of memory in use. ENERGY: 1327000 4084.9563 20437.8360 14377.7653 267.6984 -202992.8989 2498.1400 0.0000 0.0000 52088.6744 -109237.8286 299.3543 -161326.5030 -108880.5418 299.7194 -9.8423 16.8807 760610.7586 -19.1005 -19.1454 PRESSURE: 1327200 -321.021 17.8416 251.438 17.8415 -90.1345 -3.07511 251.438 -3.07474 -397.199 GPRESSURE: 1327200 -340.927 34.8759 138.381 70.8528 16.6927 77.2957 254.944 -73.3113 -380.716 PRESSAVG: 1327200 9.03738 -1.95626 1.9627 -1.9563 -10.0168 8.26275 1.96271 8.26276 11.2294 GPRESSAVG: 1327200 8.62898 -4.25558 2.6008 0.92005 -10.9611 7.70278 1.88922 8.33928 13.0174 TIMING: 1327200 CPU: 4263.46, 0.00317307/step Wall: 4263.46, 0.00317307/step, 3.23724 hours remaining, 231.515625 MB of memory in use. ENERGY: 1327200 4017.6316 20547.3776 14409.6366 239.4685 -202620.3014 2124.0207 0.0000 0.0000 52260.7060 -109021.4604 300.3430 -161282.1664 -108658.1462 299.7190 -269.4516 -234.9836 762126.3637 3.4167 3.5618 PRESSURE: 1327400 117.415 -98.2596 -36.3255 -98.26 82.5889 59.1657 -36.3251 59.1656 243.241 GPRESSURE: 1327400 199.2 -63.4037 -19.9226 4.56951 61.8958 57.6113 -54.4127 41.1634 273.71 PRESSAVG: 1327400 -17.2703 -18.7601 38.1129 -18.7601 -18.727 -27.2659 38.113 -27.2659 -5.82062 GPRESSAVG: 1327400 -18.0556 -16.761 36.8566 -18.9984 -18.901 -28.2943 38.3244 -28.0017 -5.07302 TIMING: 1327400 CPU: 4264.1, 0.00318949/step Wall: 4264.1, 0.00318949/step, 3.25381 hours remaining, 231.515625 MB of memory in use. ENERGY: 1327400 3974.1401 20546.2433 14416.5671 237.1257 -202608.0527 2316.6349 0.0000 0.0000 51892.2032 -109225.1383 298.2252 -161117.3416 -108858.0443 299.7623 147.7482 178.2684 761518.6827 -13.9393 -14.0099 PRESSURE: 1327600 389.817 -45.7568 -147.242 -45.7568 28.8361 -126.257 -147.241 -126.257 447.297 GPRESSURE: 1327600 353.883 -31.6088 -117.072 29.234 151.35 -159.202 -63.24 -122.826 460.342 PRESSAVG: 1327600 94.9309 -24.0121 22.483 -24.0121 -59.7615 7.306 22.483 7.30603 4.94766 GPRESSAVG: 1327600 94.9395 -22.8246 21.3802 -25.3286 -58.782 8.81213 24.099 7.16503 4.01289 TIMING: 1327600 CPU: 4264.74, 0.00319984/step Wall: 4264.74, 0.00319984/step, 3.26419 hours remaining, 231.515625 MB of memory in use. ENERGY: 1327600 3967.5278 20591.2185 14398.3409 241.3108 -203338.5137 2497.2043 0.0000 0.0000 52528.4190 -109114.4923 301.8815 -161642.9113 -108750.1398 300.2603 288.6501 321.8587 760203.9024 13.3724 13.3901 PRESSURE: 1327800 229.48 -51.679 7.58257 -51.679 -15.1472 136.988 7.58265 136.987 108.714 GPRESSURE: 1327800 178.271 -17.2636 40.1297 78.4303 94.8321 178.611 23.1808 52.4498 131.098 PRESSAVG: 1327800 43.7996 -17.611 30.9237 -17.611 -22.3026 87.9632 30.9237 87.9633 0.662933 GPRESSAVG: 1327800 43.3302 -18.2567 32.4781 -15.2403 -22.3656 87.1289 30.5516 87.9632 0.954052 TIMING: 1327800 CPU: 4265.38, 0.00318867/step Wall: 4265.38, 0.00318867/step, 3.25262 hours remaining, 231.515625 MB of memory in use. ENERGY: 1327800 4020.8969 20501.3389 14407.6032 245.5171 -203212.0495 2590.6159 0.0000 0.0000 52435.5144 -109010.5631 301.3476 -161446.0775 -108654.9973 300.6942 107.6822 134.7338 761530.3855 7.3866 7.3062 PRESSURE: 1328000 -160.652 75.1588 -179.519 75.1594 -70.4606 -3.23224 -179.518 -3.23252 157.802 GPRESSURE: 1328000 -22.9215 100.153 -97.5783 89.4742 -140.234 -52.5877 -187.988 -71.5965 176.512 PRESSAVG: 1328000 17.6335 -5.69027 25.074 -5.69033 -27.5812 23.8412 25.074 23.8411 -2.00362 GPRESSAVG: 1328000 19.4957 -4.67615 25.2531 -6.58873 -29.8621 23.0611 24.2483 23.1599 -1.76668 TIMING: 1328000 CPU: 4266.02, 0.00318452/step Wall: 4266.02, 0.00318452/step, 3.24821 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 3962.7201 20544.3567 14402.6684 251.7080 -202696.8256 2162.1534 0.0000 0.0000 52218.3820 -109154.8370 300.0998 -161373.2190 -108790.0935 300.2470 -24.4369 4.4522 762995.7688 -3.9838 -4.0444 PRESSURE: 1328200 246.569 10.4053 78.2779 10.4051 -153.221 -74.0464 78.2773 -74.0469 169.724 GPRESSURE: 1328200 170.344 69.041 115.427 -34.9655 13.6859 -137.853 -54.9052 -14.13 143.143 PRESSAVG: 1328200 37.2337 58.0514 -25.1751 58.0514 4.34708 26.4649 -25.1751 26.4649 23.168 GPRESSAVG: 1328200 36.8119 56.5696 -24.9445 57.3021 5.95804 28.9545 -26.8604 25.3233 22.0263 TIMING: 1328200 CPU: 4266.65, 0.00318917/step Wall: 4266.65, 0.00318917/step, 3.25278 hours remaining, 231.515625 MB of memory in use. ENERGY: 1328200 3978.2538 20514.2950 14419.3836 237.2798 -203267.8923 2696.3305 0.0000 0.0000 52429.0587 -108993.2911 301.3105 -161422.3498 -108621.1223 300.4000 87.6907 109.0578 762053.3684 21.5829 21.5988 LDB: ============= START OF LOAD BALANCING ============== 4279.08 LDB: ============== END OF LOAD BALANCING =============== 4279.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.08 LDB: ============= START OF LOAD BALANCING ============== 4279.4 LDB: Largest compute 7070 load 0.035798 is 18.3% of average load 0.195264 LDB: Average compute 0.004409 is 2.3% of average load 0.195264 LDB: TIME 4279.4 LOAD: AVG 0.195264 MAX 0.214453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4279.4 LOAD: AVG 0.195264 MAX 0.214453 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: TIME 4279.4 LOAD: AVG 0.195264 MAX 0.214453 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: ============== END OF LOAD BALANCING =============== 4279.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.41 PRESSURE: 1328400 -274.531 9.55236 -20.679 9.55262 127.036 -4.12542 -20.6788 -4.12595 -125.545 GPRESSURE: 1328400 -256.436 -112.057 -16.5749 67.8343 117.25 -1.75651 -46.5871 -36.9826 -83.0425 PRESSAVG: 1328400 -19.3414 -33.5064 -70.3948 -33.5065 7.57865 3.83133 -70.3949 3.83134 -3.86134 GPRESSAVG: 1328400 -20.8804 -32.4633 -70.5331 -33.3965 6.82569 2.94549 -69.2075 3.73482 -2.64366 TIMING: 1328400 CPU: 4267.3, 0.00324542/step Wall: 4267.3, 0.00324542/step, 3.30997 hours remaining, 232.339844 MB of memory in use. ENERGY: 1328400 4018.8556 20462.2153 14499.3326 234.8260 -203011.6246 2589.8348 0.0000 0.0000 52111.2809 -109095.2794 299.4842 -161206.5603 -108719.9060 300.2277 -91.0134 -74.0761 760760.3609 -5.2080 -5.5661 PRESSURE: 1328600 0.281049 14.612 48.3176 14.6116 63.375 51.1331 48.3175 51.1334 283.033 GPRESSURE: 1328600 159.537 109.877 -25.7602 -20.4174 -29.5192 24.3854 -3.90906 -73.8785 300.385 PRESSAVG: 1328600 23.5022 40.9842 21.7935 40.9841 -13.6273 0.807465 21.7935 0.80744 6.88495 GPRESSAVG: 1328600 25.2072 41.7793 21.1811 41.1494 -13.8683 2.01728 20.3223 0.502182 5.96906 TIMING: 1328600 CPU: 4267.95, 0.00321887/step Wall: 4267.95, 0.00321887/step, 3.28272 hours remaining, 232.613281 MB of memory in use. ENERGY: 1328600 3972.4751 20735.7771 14422.3684 244.1831 -202950.8332 2524.4467 0.0000 0.0000 51974.5737 -109077.0091 298.6986 -161051.5828 -108710.8395 299.7078 115.5629 143.4677 759843.0265 5.5866 5.7693 PRESSURE: 1328800 -78.8391 -87.4806 68.8708 -87.4796 24.643 -64.0613 68.8705 -64.0608 -58.1532 GPRESSURE: 1328800 -70.8229 -82.172 190.048 -47.4472 133.452 -11.4681 39.3005 -153.206 -62.9338 PRESSAVG: 1328800 34.5519 -11.0329 32.0838 -11.0329 -33.9075 39.4986 32.0838 39.4986 10.2319 GPRESSAVG: 1328800 34.7598 -14.1166 33.5686 -11.6518 -34.1155 39.0205 33.8759 41.1893 10.0382 TIMING: 1328800 CPU: 4268.59, 0.00320428/step Wall: 4268.59, 0.00320428/step, 3.26766 hours remaining, 232.613281 MB of memory in use. ENERGY: 1328800 3960.5527 20559.1215 14455.5000 252.8877 -203204.8018 2633.9433 0.0000 0.0000 52328.4875 -109014.3091 300.7325 -161342.7966 -108643.9769 300.3124 -37.4497 -0.1017 760243.0497 3.6254 3.5608 PRESSURE: 1329000 -48.6117 65.9887 -0.398665 65.9889 270.052 -224.571 -0.39849 -224.571 461.594 GPRESSURE: 1329000 7.0349 -39.4985 -76.5447 -5.49912 315.329 -233.005 -29.983 -144.539 436.052 PRESSAVG: 1329000 47.9347 -47.7631 3.35334 -47.7631 -22.1302 -6.43237 3.35336 -6.43238 -0.139979 GPRESSAVG: 1329000 48.7402 -46.7528 1.68667 -47.5142 -22.6493 -6.57702 3.08966 -7.05159 -0.460105 TIMING: 1329000 CPU: 4269.22, 0.00316256/step Wall: 4269.22, 0.00316256/step, 3.22494 hours remaining, 232.613281 MB of memory in use. ENERGY: 1329000 3978.8779 20639.7130 14430.2768 245.0397 -202953.9515 2382.1536 0.0000 0.0000 52344.8527 -108933.0376 300.8266 -161277.8903 -108573.0807 300.7547 227.6780 252.8052 759630.4325 8.5548 8.5436 PRESSURE: 1329200 -58.0563 32.1202 -167.788 32.12 -462.588 -48.6749 -167.788 -48.6747 -92.3112 GPRESSURE: 1329200 -33.2425 -100.198 -164.917 132.38 -439.978 -7.96864 -182.193 -57.3373 -40.641 PRESSAVG: 1329200 50.5424 -27.5633 19.047 -27.5633 -39.0906 24.6017 19.047 24.6017 16.0135 GPRESSAVG: 1329200 48.8506 -27.7278 20.7593 -27.231 -39.3114 26.4402 19.2109 25.2215 17.7081 TIMING: 1329200 CPU: 4269.86, 0.00317065/step Wall: 4269.86, 0.00317065/step, 3.23301 hours remaining, 232.613281 MB of memory in use. ENERGY: 1329200 4008.5720 20587.8052 14416.6646 233.7122 -202627.9990 2104.5469 0.0000 0.0000 52446.0939 -108830.6043 301.4084 -161276.6982 -108467.6321 300.5141 -204.3185 -171.2873 760788.1474 9.1551 9.0824 PRESSURE: 1329400 -55.7017 -52.7321 291.114 -52.7317 -61.1706 -14.0979 291.115 -14.0979 -92.1745 GPRESSURE: 1329400 15.6729 -12.0267 192.066 -37.6092 -62.4191 -33.4785 255.219 22.1857 -96.6318 PRESSAVG: 1329400 24.1481 3.086 60.8511 3.08603 -26.0946 23.3888 60.8511 23.3888 -1.4207 GPRESSAVG: 1329400 23.8307 5.29403 60.0874 2.96388 -25.7104 20.1499 60.5051 22.6834 -1.42469 TIMING: 1329400 CPU: 4270.49, 0.00317841/step Wall: 4270.49, 0.0031784/step, 3.24074 hours remaining, 232.683594 MB of memory in use. ENERGY: 1329400 3929.3882 20564.6414 14468.0944 241.2219 -202558.8504 1916.9133 0.0000 0.0000 52350.2388 -109088.3525 300.8575 -161438.5913 -108723.8054 300.6163 -69.6823 -47.7926 760110.1017 -1.1224 -1.1015 PRESSURE: 1329600 54.468 -186.93 -91.2511 -186.929 -148.114 277.524 -91.2508 277.523 130.09 GPRESSURE: 1329600 104.802 -130.529 -151.832 -226.658 -109.696 191.27 8.54159 127.346 109.284 PRESSAVG: 1329600 32.2481 -37.2002 29.899 -37.2002 -17.5142 17.3931 29.899 17.3931 -7.02568 GPRESSAVG: 1329600 32.1098 -38.554 29.8088 -35.5757 -17.2803 18.4992 28.4102 15.9296 -7.00748 TIMING: 1329600 CPU: 4271.12, 0.00316553/step Wall: 4271.12, 0.00316553/step, 3.22743 hours remaining, 232.683594 MB of memory in use. ENERGY: 1329600 3964.1456 20509.5837 14539.5005 237.6305 -203015.5282 2247.8318 0.0000 0.0000 52167.2284 -109349.6078 299.8058 -161516.8362 -108985.0523 299.5250 12.1478 34.7965 761214.3911 2.5694 2.6073 PRESSURE: 1329800 -411.102 -67.8948 72.1252 -67.8948 -141.443 -103.605 72.1261 -103.606 -435.4 GPRESSURE: 1329800 -349.441 -171.73 92.2894 -1.90034 -145.627 -98.7104 -18.9482 20.6533 -407.92 PRESSAVG: 1329800 -32.1942 -8.27746 -54.0766 -8.27749 46.0177 -23.0638 -54.0766 -23.0638 -23.5001 GPRESSAVG: 1329800 -31.4309 -7.34346 -53.2474 -9.6546 46.2175 -24.777 -52.8645 -20.397 -23.8178 TIMING: 1329800 CPU: 4271.76, 0.00317102/step Wall: 4271.76, 0.00317102/step, 3.23286 hours remaining, 232.683594 MB of memory in use. ENERGY: 1329800 3964.8830 20462.3111 14366.9630 241.9380 -202792.4220 2204.9717 0.0000 0.0000 52273.9683 -109277.3869 300.4192 -161551.3552 -108920.6020 299.9573 -329.3151 -300.9960 762172.1840 -3.2255 -3.0104 PRESSURE: 1330000 -389.306 -242.901 191.034 -242.901 -121.723 50.339 191.035 50.3389 -95.817 GPRESSURE: 1330000 -278.518 -118.762 140.612 -219.407 -181.295 98.9979 56.7916 143.764 -55.594 PRESSAVG: 1330000 -13.1573 -38.5069 26.9404 -38.5069 36.0562 19.7716 26.9403 19.7715 -15.4875 GPRESSAVG: 1330000 -11.9588 -36.1458 24.9142 -38.3827 35.901 21.0827 26.1369 19.0779 -16.3186 TIMING: 1330000 CPU: 4272.4, 0.00323463/step Wall: 4272.4, 0.00323463/step, 3.29752 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1330000 4064.6554 20378.4003 14494.8895 252.9030 -202861.5276 2482.2397 0.0000 0.0000 52241.8400 -108946.5997 300.2346 -161188.4397 -108586.2643 300.5263 -202.2819 -171.8023 763764.7571 2.4705 2.5412 PRESSURE: 1330200 -236.448 89.4947 -167.029 89.4953 217.452 13.0888 -167.028 13.0889 375.134 GPRESSURE: 1330200 12.7945 -42.4358 -119.208 -53.6879 141.723 2.85904 -219.42 105.745 269.81 PRESSAVG: 1330200 20.395 -15.3853 -16.1511 -15.3852 -6.01016 -1.81435 -16.1511 -1.81437 -9.58514 GPRESSAVG: 1330200 20.0114 -17.1815 -14.5891 -15.1353 -7.74037 -1.18889 -16.903 -2.89141 -8.3696 TIMING: 1330200 CPU: 4273.05, 0.00320089/step Wall: 4273.05, 0.00320089/step, 3.26295 hours remaining, 232.683594 MB of memory in use. ENERGY: 1330200 4002.9491 20657.7702 14392.8155 257.4843 -203068.3522 2510.7359 0.0000 0.0000 52329.1712 -108917.4261 300.7365 -161246.5973 -108552.5591 300.5725 118.7127 141.4426 763346.3127 1.5999 1.3005 PRESSURE: 1330400 112.576 176.469 -322.501 176.469 266.25 164.895 -322.501 164.894 91.0371 GPRESSURE: 1330400 43.4646 75.6393 -227.545 153.79 378.796 207.145 -361.151 188.407 118.842 PRESSAVG: 1330400 95.7689 -32.1713 26.7895 -32.1712 -84.7318 19.9268 26.7895 19.9267 0.714871 GPRESSAVG: 1330400 95.7584 -33.2554 27.0034 -32.7591 -84.0096 18.8791 29.147 19.1834 0.874726 TIMING: 1330400 CPU: 4273.68, 0.0031977/step Wall: 4273.68, 0.0031977/step, 3.25952 hours remaining, 232.683594 MB of memory in use. ENERGY: 1330400 3971.5128 20589.2674 14418.8351 243.7997 -203513.3669 2825.4050 0.0000 0.0000 52240.0925 -109224.4543 300.2245 -161464.5468 -108859.8332 299.7879 156.6209 180.3675 763460.6967 3.9173 4.2078 PRESSURE: 1330600 -73.8266 -178.692 215.382 -178.692 96.3421 28.9518 215.381 28.9507 -30.7512 GPRESSURE: 1330600 -43.8156 -229.9 213.661 -131.858 126.622 -9.33701 128.156 47.3142 -20.4905 PRESSAVG: 1330600 34.9376 -26.3227 25.0295 -26.3227 -51.5717 0.876082 25.0296 0.876056 -0.69891 GPRESSAVG: 1330600 34.1541 -26.3822 26.2298 -25.1801 -50.5602 1.66616 24.154 1.32768 -0.433396 TIMING: 1330600 CPU: 4274.32, 0.00319841/step Wall: 4274.32, 0.00319841/step, 3.26007 hours remaining, 232.683594 MB of memory in use. ENERGY: 1330600 3864.3959 20632.2416 14362.4274 263.5656 -203100.9292 2571.5600 0.0000 0.0000 51881.8604 -109524.8783 298.1658 -161406.7387 -109163.4816 299.4692 -2.7452 20.7720 761011.6390 -5.7777 -5.6131 PRESSURE: 1330800 71.2148 -25.2376 119.057 -25.2377 39.8261 52.5368 119.057 52.5378 194.049 GPRESSURE: 1330800 65.1817 60.6525 152.817 -38.9319 131.985 63.7145 179.079 55.7235 213.732 PRESSAVG: 1330800 77.2767 -25.3336 -48.1948 -25.3336 -86.732 -5.15901 -48.1948 -5.15901 7.23866 GPRESSAVG: 1330800 77.276 -25.9629 -47.0848 -26.1451 -86.3259 -5.1485 -50.1795 -6.7468 7.30065 TIMING: 1330800 CPU: 4274.97, 0.00323349/step Wall: 4274.97, 0.00323349/step, 3.29564 hours remaining, 232.683594 MB of memory in use. ENERGY: 1330800 4023.5488 20548.9173 14461.0378 256.8119 -203208.6896 2480.6768 0.0000 0.0000 52182.5163 -109255.1806 299.8936 -161437.6969 -108902.7171 299.3995 101.6968 136.9665 761373.9830 -0.7389 -0.5831 PRESSURE: 1331000 54.0933 -91.558 264.291 -91.5573 297.863 73.7511 264.291 73.7517 657.945 GPRESSURE: 1331000 136.442 -145.211 253.049 -94.4311 261.127 45.9557 62.4866 120.061 689.831 PRESSAVG: 1331000 43.3592 -37.6162 26.2707 -37.6163 -50.0407 30.2572 26.2707 30.2572 22.3429 GPRESSAVG: 1331000 44.0334 -36.8972 25.5035 -37.5765 -49.3249 31.1212 26.2299 32.4176 21.263 TIMING: 1331000 CPU: 4275.61, 0.00321793/step Wall: 4275.61, 0.00321793/step, 3.27961 hours remaining, 232.683594 MB of memory in use. ENERGY: 1331000 3963.8833 20493.9889 14455.9523 269.0386 -203384.8820 2703.0309 0.0000 0.0000 52246.0037 -109252.9842 300.2585 -161498.9879 -108879.2289 299.9116 336.6338 362.4669 759605.9271 5.2205 5.3238 PRESSURE: 1331200 -15.4267 -95.0842 -107.664 -95.0845 305.285 -113.113 -107.664 -113.113 -72.3942 GPRESSURE: 1331200 -4.65142 -156.038 -137.829 -146.751 298.795 -93.0106 -93.6705 14.9732 -8.0711 PRESSAVG: 1331200 24.8821 -31.0904 0.0050952 -31.0904 -58.5074 3.34623 0.00513719 3.34622 13.7135 GPRESSAVG: 1331200 26.3696 -30.5788 -2.01978 -31.4525 -59.5027 2.4827 -0.374662 6.15192 13.6451 TIMING: 1331200 CPU: 4276.25, 0.00316908/step Wall: 4276.25, 0.00316908/step, 3.22964 hours remaining, 232.683594 MB of memory in use. ENERGY: 1331200 3996.2370 20498.6624 14419.2265 250.2478 -203007.9729 2391.8650 0.0000 0.0000 52163.2756 -109288.4586 299.7831 -161451.7342 -108924.4161 299.5742 72.4881 95.3576 760731.8295 -6.6373 -6.4960 PRESSURE: 1331400 256.477 -239.754 -133.075 -239.754 -0.220877 244.311 -133.076 244.311 313.64 GPRESSURE: 1331400 221.807 -209.279 -131.483 -214.139 151.661 217.868 -63.0665 119.08 288.337 PRESSAVG: 1331400 64.4962 -15.5961 -24.3796 -15.5961 -40.2388 36.4459 -24.3797 36.4459 -22.5213 GPRESSAVG: 1331400 63.2229 -15.1144 -24.2202 -14.4348 -39.5835 35.6352 -21.0309 32.9895 -21.1486 TIMING: 1331400 CPU: 4276.88, 0.00315698/step Wall: 4276.88, 0.00315698/step, 3.21714 hours remaining, 232.683594 MB of memory in use. ENERGY: 1331400 4053.1981 20522.4873 14451.2791 240.5195 -203181.3861 2475.6818 0.0000 0.0000 52084.3946 -109353.8257 299.3297 -161438.2203 -108998.6854 299.5531 189.9655 220.6017 758570.4517 0.5787 0.8303 PRESSURE: 1331600 67.1115 -12.2795 97.3398 -12.2794 66.3247 -85.7326 97.3405 -85.7333 26.1333 GPRESSURE: 1331600 128.747 57.2362 94.8297 1.02325 191.672 -41.5913 -35.4999 -19.3012 -78.675 PRESSAVG: 1331600 -12.1433 -36.6589 -23.5926 -36.6589 -0.459116 6.06984 -23.5926 6.06983 3.97501 GPRESSAVG: 1331600 -11.083 -35.6618 -23.003 -36.9934 -1.40344 5.33058 -24.3696 8.68454 4.0129 TIMING: 1331600 CPU: 4277.51, 0.00316819/step Wall: 4277.51, 0.00316819/step, 3.22838 hours remaining, 232.683594 MB of memory in use. ENERGY: 1331600 3953.6808 20368.2611 14366.3420 275.0617 -202967.7624 2371.8591 0.0000 0.0000 52227.2850 -109405.2726 300.1509 -161632.5577 -109036.5888 299.4647 53.1898 80.5814 759332.9528 -2.8758 -2.8245 PRESSURE: 1331800 239.63 156.691 -149.513 156.691 94.9055 -32.4679 -149.512 -32.4675 302.842 GPRESSURE: 1331800 314.296 161.983 -120.701 195.915 72.1443 -27.6915 -103.888 -87.6365 321.308 PRESSAVG: 1331800 7.18523 -84.9768 18.5133 -84.9768 -36.0509 -14.9487 18.5134 -14.9486 3.28317 GPRESSAVG: 1331800 7.12436 -87.8681 17.8237 -86.5834 -36.4587 -15.4967 17.2708 -16.4179 3.90419 TIMING: 1331800 CPU: 4278.16, 0.00320914/step Wall: 4278.16, 0.00320914/step, 3.26994 hours remaining, 232.683594 MB of memory in use. ENERGY: 1331800 3973.0831 20578.5831 14466.7398 236.8019 -203563.1653 2688.0424 0.0000 0.0000 52255.3953 -109364.5197 300.3125 -161619.9150 -108998.3693 299.4864 212.4592 235.9160 759219.7013 -8.5275 -8.4767 PRESSURE: 1332000 333.28 -136.656 -257.638 -136.656 199.09 -34.6393 -257.637 -34.6395 47.8722 GPRESSURE: 1332000 401.309 -184.991 -280.655 -172.751 191.572 89.0208 -253.458 -62.1447 71.7853 PRESSAVG: 1332000 53.4823 18.0872 22.1872 18.0872 -26.1 6.55718 22.1872 6.55708 3.98898 GPRESSAVG: 1332000 53.6557 19.1207 21.7624 19.1877 -25.7557 6.15929 22.7221 5.98397 3.3215 TIMING: 1332000 CPU: 4278.8, 0.00320823/step Wall: 4278.8, 0.00320823/step, 3.26883 hours remaining, 232.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1332000 3967.1790 20495.7179 14395.1415 254.5517 -203304.0318 2431.0103 0.0000 0.0000 52269.3451 -109491.0864 300.3926 -161760.4314 -109121.1146 299.4600 193.4141 221.5555 760592.4563 10.4571 10.4072 PRESSURE: 1332200 124.101 15.2451 185.294 15.2454 129.952 88.9002 185.294 88.8987 -116.396 GPRESSURE: 1332200 99.719 77.2998 173.601 40.9048 118.309 122.874 105.549 270.257 -1.62452 PRESSAVG: 1332200 57.1334 -10.8674 -3.21498 -10.8674 -57.669 -13.7339 -3.21504 -13.7339 -10.8377 GPRESSAVG: 1332200 56.9825 -11.4301 -0.818812 -11.2093 -57.0191 -12.167 -4.47897 -14.0779 -11.5317 TIMING: 1332200 CPU: 4279.44, 0.00319866/step Wall: 4279.44, 0.00319866/step, 3.2589 hours remaining, 232.683594 MB of memory in use. ENERGY: 1332200 4028.6327 20477.1287 14481.9125 276.5457 -203205.7776 2288.6176 0.0000 0.0000 52169.6033 -109483.3372 299.8194 -161652.9405 -109118.7425 299.5307 45.8857 72.1344 759365.5687 -3.7911 -3.8561 LDB: ============= START OF LOAD BALANCING ============== 4291.86 LDB: ============== END OF LOAD BALANCING =============== 4291.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4291.86 LDB: ============= START OF LOAD BALANCING ============== 4292.18 LDB: Largest compute 7034 load 0.037007 is 18.9% of average load 0.195332 LDB: Average compute 0.004388 is 2.2% of average load 0.195332 LDB: TIME 4292.19 LOAD: AVG 0.195332 MAX 0.21439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4292.19 LOAD: AVG 0.195332 MAX 0.21439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: TIME 4292.19 LOAD: AVG 0.195332 MAX 0.21439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: ============== END OF LOAD BALANCING =============== 4292.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4292.19 PRESSURE: 1332400 -242.896 79.3441 238.756 79.3451 -334.351 -142.551 238.756 -142.551 -67.5086 GPRESSURE: 1332400 -204.542 63.8268 273.307 112.641 -244.798 -190.846 332.934 -116.202 -104.311 PRESSAVG: 1332400 8.4312 32.6814 7.43125 32.6814 42.2076 -6.41299 7.43126 -6.41295 1.9706 GPRESSAVG: 1332400 8.12228 31.9254 3.79938 33.8708 42.3169 -6.97502 10.752 -5.41627 2.61599 TIMING: 1332400 CPU: 4280.09, 0.00325581/step Wall: 4280.09, 0.00325581/step, 3.31694 hours remaining, 232.410156 MB of memory in use. ENERGY: 1332400 3979.6166 20456.9914 14533.0770 260.2940 -202783.2814 2106.5555 0.0000 0.0000 51831.8747 -109614.8721 297.8785 -161446.7468 -109258.5967 299.6684 -214.9188 -184.5503 759151.6733 17.5365 17.6850 PRESSURE: 1332600 -87.1161 128.459 158.84 128.458 -142.84 -136.865 158.839 -136.865 -118.684 GPRESSURE: 1332600 9.66901 132.118 121.532 146.442 -115.362 -155.201 158.492 -115.27 -162.577 PRESSAVG: 1332600 -23.2138 -3.11345 -16.4426 -3.11342 -2.12022 -4.89999 -16.4426 -4.89988 -4.7426 GPRESSAVG: 1332600 -23.1195 -3.22345 -14.258 -3.27359 -3.48441 -4.80296 -17.4603 -6.91022 -3.97602 TIMING: 1332600 CPU: 4280.72, 0.00318364/step Wall: 4280.72, 0.00318364/step, 3.24324 hours remaining, 232.609375 MB of memory in use. ENERGY: 1332600 3988.9957 20546.5072 14382.1842 258.7633 -202875.4915 2128.5975 0.0000 0.0000 51945.2803 -109625.1634 298.5302 -161570.4437 -109259.7754 299.0866 -116.2132 -89.4233 760314.0561 -10.0255 -10.1933 PRESSURE: 1332800 -97.4772 76.5684 -26.7805 76.5686 -230.551 -148.129 -26.7801 -148.128 -78.1028 GPRESSURE: 1332800 -56.8033 58.8727 -87.4963 177.577 -228.577 -116.734 16.2535 -9.8941 -32.8429 PRESSAVG: 1332800 -3.06629 -17.5745 26.1814 -17.5744 -18.6189 -11.1085 26.1815 -11.1085 0.225184 GPRESSAVG: 1332800 -2.85291 -14.1396 23.7808 -17.1345 -17.665 -10.9376 26.6353 -9.4552 -1.26246 TIMING: 1332800 CPU: 4281.36, 0.00319032/step Wall: 4281.36, 0.00319032/step, 3.24987 hours remaining, 232.609375 MB of memory in use. ENERGY: 1332800 3978.1977 20553.2165 14405.3281 253.4022 -203466.5109 2403.1362 0.0000 0.0000 52085.1877 -109788.0424 299.3343 -161873.2302 -109411.8508 299.2908 -135.3769 -106.0744 760137.3047 -7.1533 -7.2601 PRESSURE: 1333000 -47.92 -141.444 50.0227 -141.445 -38.3167 118.43 50.023 118.43 250.121 GPRESSURE: 1333000 29.8844 -49.5047 142.158 -71.4815 27.4746 65.308 -19.8672 88.7105 172.572 PRESSAVG: 1333000 2.58537 -68.7284 8.14536 -68.7285 -11.8572 -25.6634 8.14535 -25.6633 3.5807 GPRESSAVG: 1333000 1.85981 -70.6391 11.4357 -68.9291 -11.8178 -26.3198 8.04045 -26.0693 3.62978 TIMING: 1333000 CPU: 4282.01, 0.00322317/step Wall: 4282.01, 0.00322317/step, 3.28315 hours remaining, 232.609375 MB of memory in use. ENERGY: 1333000 4056.5831 20512.6953 14415.7429 260.4308 -203432.9583 2437.5723 0.0000 0.0000 52138.3664 -109611.5676 299.6399 -161749.9340 -109254.2739 299.5488 54.6280 76.6437 760009.4043 -1.8971 -2.1094 PRESSURE: 1333200 11.7062 -71.3547 159.883 -71.3544 -346.656 106.022 159.883 106.023 -250.174 GPRESSURE: 1333200 50.7375 -88.366 177.754 -79.476 -356.588 244.508 128.349 -64.6151 -211.55 PRESSAVG: 1333200 -3.69709 -5.45346 -1.73219 -5.45338 36.7933 -18.7864 -1.73221 -18.7864 -3.54479 GPRESSAVG: 1333200 -4.87834 -5.51302 -2.22631 -6.50634 36.9526 -18.5101 -2.12996 -20.0134 -3.00176 TIMING: 1333200 CPU: 4282.64, 0.00317593/step Wall: 4282.64, 0.00317593/step, 3.23486 hours remaining, 232.609375 MB of memory in use. ENERGY: 1333200 3944.9237 20586.1081 14474.9374 259.5060 -203255.8171 2442.3332 0.0000 0.0000 51856.5815 -109691.4271 298.0205 -161548.0086 -109327.4739 299.4306 -195.0414 -172.4667 760994.6495 9.8505 9.6908 PRESSURE: 1333400 151.431 46.2089 12.4231 46.2089 -149.494 168.257 12.4237 168.257 -6.79301 GPRESSURE: 1333400 89.7059 63.3149 -7.92514 50.3746 -54.0062 120.414 -22.477 177.532 23.0794 PRESSAVG: 1333400 17.2765 -22.0496 16.2316 -22.0495 -52.174 31.7378 16.2316 31.7377 -16.2972 GPRESSAVG: 1333400 17.5793 -21.789 15.1426 -21.8843 -53.326 32.6469 14.5089 33.7718 -15.817 TIMING: 1333400 CPU: 4283.27, 0.00315977/step Wall: 4283.27, 0.00315977/step, 3.21822 hours remaining, 232.609375 MB of memory in use. ENERGY: 1333400 3939.8600 20528.5498 14495.4947 236.2072 -203485.6291 2394.0475 0.0000 0.0000 52082.9557 -109808.5142 299.3215 -161891.4699 -109435.6586 298.5119 -1.6186 19.5930 759827.5306 -17.0649 -17.1879 PRESSURE: 1333600 -97.651 -26.0458 -60.1564 -26.0465 -309.434 -17.4793 -60.1563 -17.4789 -65.567 GPRESSURE: 1333600 -80.9249 91.6352 -69.975 53.52 -203.546 9.15171 -24.0955 -78.9438 -103.116 PRESSAVG: 1333600 -5.86408 -10.1258 57.1571 -10.1258 -20.5572 22.0684 57.157 22.0684 3.02124 GPRESSAVG: 1333600 -5.52991 -10.2265 57.7629 -9.67473 -18.9863 20.4934 58.0508 20.4576 1.30052 TIMING: 1333600 CPU: 4283.9, 0.00313512/step Wall: 4283.9, 0.00313511/step, 3.19294 hours remaining, 232.609375 MB of memory in use. ENERGY: 1333600 3976.6384 20378.1069 14442.9157 267.3446 -203564.0034 2618.6153 0.0000 0.0000 51963.3367 -109917.0459 298.6340 -161880.3825 -109555.2512 298.8719 -157.5508 -129.1956 759792.7592 -7.8000 -7.7386 PRESSURE: 1333800 -190.3 -34.6104 121.92 -34.6096 -660.795 111.527 121.92 111.527 -189.685 GPRESSURE: 1333800 -215.409 24.727 141.148 39.063 -587.489 128.594 95.2367 10.3443 -146.876 PRESSAVG: 1333800 31.48 19.1615 95.9656 19.1615 -46.6581 -35.9113 95.9656 -35.9113 -9.20229 GPRESSAVG: 1333800 32.003 20.0882 94.9567 18.2852 -47.1745 -35.4381 96.7964 -36.4301 -8.60281 TIMING: 1333800 CPU: 4284.53, 0.00315084/step Wall: 4284.53, 0.00315084/step, 3.20878 hours remaining, 232.609375 MB of memory in use. ENERGY: 1333800 4036.1231 20583.7909 14493.3290 254.5245 -203319.1474 2172.1751 0.0000 0.0000 51854.0013 -109925.2034 298.0057 -161779.2047 -109571.3047 298.1293 -346.9267 -316.5913 760168.5914 -8.1268 -7.9248 PRESSURE: 1334000 -56.9243 -133.117 1.09636 -133.117 110.154 84.1026 1.09613 84.103 -322.637 GPRESSURE: 1334000 22.8707 -61.5801 -34.8757 -83.8397 110.834 148.1 114.167 136.707 -297.918 PRESSAVG: 1334000 36.5414 13.8268 9.52879 13.8269 -21.189 -27.5846 9.52885 -27.5847 -6.84349 GPRESSAVG: 1334000 36.8918 12.0141 9.08263 15.1232 -22.6164 -26.1357 9.44709 -28.7944 -5.86181 TIMING: 1334000 CPU: 4285.16, 0.00313364/step Wall: 4285.16, 0.00313364/step, 3.19109 hours remaining, 232.609375 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: 1334000 4001.9825 20549.9479 14476.1918 247.9071 -203091.7471 2338.6335 0.0000 0.0000 51675.9929 -109801.0914 296.9826 -161477.0843 -109444.8376 298.8131 -89.8023 -54.7377 758815.5580 2.8363 2.8045 PRESSURE: 1334200 87.7162 -114.327 207.64 -114.326 -109.578 -191.47 207.641 -191.47 93.7239 GPRESSURE: 1334200 84.3802 -40.1031 179.692 -64.4507 -23.5894 -143.828 81.5131 -88.5986 89.8193 PRESSAVG: 1334200 36.0138 -22.3134 -24.9769 -22.3134 -38.4772 -25.8417 -24.9769 -25.8417 22.7657 GPRESSAVG: 1334200 35.7429 -22.4845 -25.4016 -23.1947 -37.5356 -27.7086 -26.0151 -23.212 21.5032 TIMING: 1334200 CPU: 4285.79, 0.00314375/step Wall: 4285.79, 0.00314375/step, 3.20121 hours remaining, 232.609375 MB of memory in use. ENERGY: 1334200 4098.7704 20532.0321 14480.4017 246.1614 -203591.9627 2449.3840 0.0000 0.0000 52060.4803 -109724.7327 299.1923 -161785.2130 -109356.0257 298.4709 23.9540 50.2034 758992.1671 6.7674 6.5702 PRESSURE: 1334400 53.8421 17.3151 -255.913 17.3156 7.95853 -6.21909 -255.913 -6.21853 -91.3709 GPRESSURE: 1334400 110.335 18.1447 -215.206 -124.489 5.14136 -16.8673 -182.26 -189.214 -66.3942 PRESSAVG: 1334400 30.8058 -9.64273 51.1944 -9.64268 1.17149 -26.9444 51.1945 -26.9444 20.5384 GPRESSAVG: 1334400 30.5639 -9.11849 52.9203 -10.9766 -0.330134 -25.283 52.8366 -30.0162 22.2063 TIMING: 1334400 CPU: 4286.42, 0.00314357/step Wall: 4286.42, 0.00314357/step, 3.20086 hours remaining, 232.609375 MB of memory in use. ENERGY: 1334400 4005.1069 20605.8893 14439.8537 244.5021 -203249.1993 2314.2967 0.0000 0.0000 51955.4315 -109684.1190 298.5886 -161639.5505 -109327.4763 299.0855 -9.8568 16.3607 759814.7379 17.5052 17.4800 PRESSURE: 1334600 114.074 9.02472 -78.605 9.02491 42.9895 -208.144 -78.6056 -208.143 47.9263 GPRESSURE: 1334600 81.4 11.7031 -27.0294 -29.7576 166.868 -210.962 -128.903 -210.919 42.7424 PRESSAVG: 1334600 -16.8385 -22.3922 39.3953 -22.3922 -8.82013 -59.1435 39.3953 -59.1434 -3.199 GPRESSAVG: 1334600 -17.6359 -23.2749 39.2148 -19.4829 -7.36016 -59.873 37.4624 -57.8138 -4.03039 TIMING: 1334600 CPU: 4287.05, 0.0031499/step Wall: 4287.05, 0.0031499/step, 3.20712 hours remaining, 232.609375 MB of memory in use. ENERGY: 1334600 3926.6068 20590.9754 14399.4890 244.3803 -203041.6661 2270.6299 0.0000 0.0000 52142.6805 -109466.9043 299.6647 -161609.5848 -109102.6232 299.1221 68.3299 97.0033 759713.1994 -9.6192 -9.6755 PRESSURE: 1334800 -41.6603 -28.4741 -139.477 -28.4744 351.181 109.986 -139.476 109.987 347.479 GPRESSURE: 1334800 46.5412 34.4367 -127.732 -214.007 316.628 163.666 -31.4827 -21.0293 363.383 PRESSAVG: 1334800 26.5472 -48.7575 -32.5674 -48.7575 -16.4881 -24.4805 -32.5673 -24.4805 -31.2972 GPRESSAVG: 1334800 26.6849 -48.1381 -31.8101 -51.886 -15.6205 -24.1991 -32.637 -23.647 -31.8397 TIMING: 1334800 CPU: 4287.68, 0.0031629/step Wall: 4287.68, 0.0031629/step, 3.22019 hours remaining, 232.609375 MB of memory in use. ENERGY: 1334800 4016.7803 20571.5669 14456.8692 258.7905 -203197.1740 2273.0313 0.0000 0.0000 52095.6866 -109524.4493 299.3946 -161620.1359 -109159.0247 299.2373 218.9998 242.1842 758942.9987 -7.0794 -6.9251 PRESSURE: 1335000 226.691 -89.3816 -110.259 -89.3812 -49.1841 -116.678 -110.259 -116.679 262.658 GPRESSURE: 1335000 211.737 -113.542 -157.313 -98.1321 39.9255 -147.262 -37.6732 3.61658 275.274 PRESSAVG: 1335000 43.82 -34.7148 5.88348 -34.7148 -30.59 -15.8088 5.88356 -15.8088 -23.3861 GPRESSAVG: 1335000 44.4381 -35.0931 4.87177 -34.9135 -31.6938 -17.7977 7.01256 -14.8001 -22.9852 TIMING: 1335000 CPU: 4288.31, 0.00316273/step Wall: 4288.31, 0.00316273/step, 3.21984 hours remaining, 232.609375 MB of memory in use. ENERGY: 1335000 3952.1471 20464.8088 14432.8547 262.3498 -203308.5025 2377.6548 0.0000 0.0000 52026.3523 -109792.3349 298.9962 -161818.6873 -109419.4149 298.8824 146.7216 175.6456 758678.4616 -3.3854 -3.4136 PRESSURE: 1335200 252.769 -15.6602 105.794 -15.6612 213.843 227.945 105.793 227.946 -231.156 GPRESSURE: 1335200 350.301 -41.2599 88.2852 -41.6242 172.915 225.264 178.459 173.002 -189.307 PRESSAVG: 1335200 12.953 -74.2759 41.6337 -74.2759 -6.71491 -50.5166 41.6337 -50.5166 25.8434 GPRESSAVG: 1335200 12.5107 -73.0818 41.8805 -71.4334 -5.86068 -48.0682 41.3051 -51.0279 24.9468 TIMING: 1335200 CPU: 4288.94, 0.00315794/step Wall: 4288.94, 0.00315794/step, 3.21478 hours remaining, 232.609375 MB of memory in use. ENERGY: 1335200 3976.3069 20519.3226 14481.8574 242.1455 -203666.5866 2605.5945 0.0000 0.0000 52029.6544 -109811.7053 299.0151 -161841.3597 -109464.2673 298.7993 78.4852 111.3033 757817.0243 10.6938 10.5323 PRESSURE: 1335400 -163.599 -282.978 -27.2373 -282.977 -47.4519 -147.269 -27.2372 -147.269 -60.4154 GPRESSURE: 1335400 -60.866 -138.958 -124.7 -148.13 -53.0004 -108.202 2.95034 -220.4 -62.7178 PRESSAVG: 1335400 -4.04694 -28.5573 6.17028 -28.5572 -8.63406 6.49194 6.17033 6.49196 -14.4626 GPRESSAVG: 1335400 -3.94154 -27.5953 5.32989 -30.6789 -9.53828 6.79947 6.25464 6.72908 -13.9074 TIMING: 1335400 CPU: 4289.57, 0.00315639/step Wall: 4289.57, 0.00315639/step, 3.21303 hours remaining, 232.609375 MB of memory in use. ENERGY: 1335400 3975.6990 20728.9156 14411.0999 245.2131 -203567.9039 2305.9347 0.0000 0.0000 52244.3490 -109656.6925 300.2490 -161901.0416 -109290.2718 299.1559 -90.4886 -58.8614 759429.5775 -9.0479 -9.1291 PRESSURE: 1335600 -258.018 13.4589 14.0436 13.4587 108.335 16.479 14.0436 16.4787 -374.813 GPRESSURE: 1335600 -179.611 -6.50634 60.7972 -151.186 153.732 12.9405 91.2392 -39.1094 -430.791 PRESSAVG: 1335600 -3.35975 19.4485 29.3501 19.4484 -43.0453 -7.88024 29.3501 -7.88017 17.9279 GPRESSAVG: 1335600 -2.17633 20.5907 28.37 19.2505 -42.9816 -10.0417 29.5951 -9.32032 17.1775 TIMING: 1335600 CPU: 4290.2, 0.00314356/step Wall: 4290.2, 0.00314356/step, 3.19979 hours remaining, 232.609375 MB of memory in use. ENERGY: 1335600 4017.3204 20614.9835 14446.5029 244.0550 -203158.8121 2210.8374 0.0000 0.0000 52043.3073 -109581.8056 299.0936 -161625.1129 -109220.1872 299.4288 -174.8319 -152.2235 760371.0886 -9.4924 -9.3268 PRESSURE: 1335800 54.9721 -110.16 130.881 -110.16 380.821 112.321 130.88 112.323 -83.176 GPRESSURE: 1335800 100.671 -65.2232 225.991 -227.691 420.155 75.4696 4.20149 109.848 -80.6305 PRESSAVG: 1335800 7.05882 -7.92053 -3.67541 -7.92056 2.47477 10.1233 -3.67536 10.1234 -20.3693 GPRESSAVG: 1335800 6.65426 -8.40267 -2.30902 -11.4028 2.40686 9.83273 -3.35412 12.7843 -19.7226 TIMING: 1335800 CPU: 4290.83, 0.00314588/step Wall: 4290.83, 0.00314588/step, 3.20199 hours remaining, 232.609375 MB of memory in use. ENERGY: 1335800 3873.9176 20443.1152 14392.8071 245.7615 -203730.5375 2862.3012 0.0000 0.0000 52253.1314 -109659.5034 300.2995 -161912.6348 -109277.0493 299.8460 117.5391 146.7318 760059.7646 -3.6119 -3.5538 PRESSURE: 1336000 249.813 -40.2956 69.876 -40.296 152.838 1.97836 69.8752 1.97929 92.6429 GPRESSURE: 1336000 294.654 -4.77332 46.4292 -58.7281 158.061 28.9757 87.4617 -67.7433 123.46 PRESSAVG: 1336000 29.6308 -9.80933 -5.16734 -9.80931 -30.923 -1.43779 -5.16734 -1.43784 -0.44503 GPRESSAVG: 1336000 29.8593 -10.4524 -6.56503 -4.98961 -30.2954 0.68617 -2.87736 -3.15642 -0.844469 TIMING: 1336000 CPU: 4291.46, 0.00312628/step Wall: 4291.46, 0.00312628/step, 3.18186 hours remaining, 232.609375 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: 1336000 3920.5969 20532.7522 14434.5758 223.2438 -203485.9185 2595.9937 0.0000 0.0000 52005.6357 -109773.1205 298.8771 -161778.7561 -109412.0327 299.4556 165.0980 192.0583 760327.1329 -0.5791 -0.4268 PRESSURE: 1336200 104.187 74.0143 169.012 74.0141 -35.2936 128.029 169.012 128.027 -77.2582 GPRESSURE: 1336200 50.0823 52.0726 142.147 -7.1428 11.8126 78.2376 -16.8891 96.5942 36.747 PRESSAVG: 1336200 -20.1755 4.03737 31.9193 4.03733 12.3502 56.0569 31.9193 56.0568 7.44744 GPRESSAVG: 1336200 -21.1612 4.0384 31.1745 2.45036 12.6944 55.2322 28.9939 53.2896 7.87644 TIMING: 1336200 CPU: 4292.08, 0.00312625/step Wall: 4292.08, 0.00312625/step, 3.18166 hours remaining, 232.609375 MB of memory in use. ENERGY: 1336200 3980.8574 20555.5217 14452.3978 230.1497 -203369.8745 2495.8148 0.0000 0.0000 51936.2464 -109718.8867 298.4783 -161655.1330 -109370.0254 299.3302 -2.7882 32.8806 760269.9068 -0.1260 -0.1968 LDB: ============= START OF LOAD BALANCING ============== 4304.5 LDB: ============== END OF LOAD BALANCING =============== 4304.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4304.5 LDB: ============= START OF LOAD BALANCING ============== 4304.82 LDB: Largest compute 7078 load 0.036497 is 18.7% of average load 0.195261 LDB: Average compute 0.004397 is 2.3% of average load 0.195261 LDB: TIME 4304.83 LOAD: AVG 0.195261 MAX 0.216212 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.492 MB LDB: TIME 4304.83 LOAD: AVG 0.195261 MAX 0.216212 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.496 MB LDB: TIME 4304.83 LOAD: AVG 0.195261 MAX 0.216212 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.496 MB LDB: ============== END OF LOAD BALANCING =============== 4304.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4304.83 PRESSURE: 1336400 297.264 -224.561 -91.0466 -224.561 57.8046 -65.3524 -91.0472 -65.3536 -153.353 GPRESSURE: 1336400 481.875 -181.343 -161.848 -177.54 94.0376 -126.225 27.057 -40.757 -261.701 PRESSAVG: 1336400 81.0263 -7.75313 17.9125 -7.75317 3.37133 43.4629 17.9125 43.4628 -0.99374 GPRESSAVG: 1336400 81.7908 -7.61945 19.8049 -7.94323 3.43061 42.9429 18.3967 44.9622 -1.66517 TIMING: 1336400 CPU: 4292.73, 0.00323249/step Wall: 4292.73, 0.00323249/step, 3.2896 hours remaining, 232.339844 MB of memory in use. ENERGY: 1336400 3898.5778 20498.3896 14505.1406 245.1684 -203620.2402 2633.6636 0.0000 0.0000 52037.2261 -109802.0740 299.0587 -161839.3001 -109443.9312 298.6726 67.2387 104.7372 758667.4725 27.8013 27.8521 PRESSURE: 1336600 -18.7144 -154.906 66.8299 -154.905 -109.924 106.4 66.8296 106.4 87.8585 GPRESSURE: 1336600 11.3698 -84.5712 129.188 -237.874 -92.4109 146.76 143.107 59.626 139.492 PRESSAVG: 1336600 32.7756 1.06222 28.9962 1.06222 -48.7536 1.60156 28.9962 1.60159 1.65507 GPRESSAVG: 1336600 33.3691 1.17768 28.2683 2.32458 -50.0747 2.05426 29.1145 0.874984 2.39914 TIMING: 1336600 CPU: 4293.36, 0.00315395/step Wall: 4293.36, 0.00315395/step, 3.2095 hours remaining, 232.339844 MB of memory in use. ENERGY: 1336600 3957.9058 20510.2494 14478.8193 256.4270 -203298.3627 2180.2434 0.0000 0.0000 52192.6027 -109722.1152 299.9516 -161914.7179 -109369.7061 298.7846 -13.5934 19.4835 759027.1890 -4.7743 -4.7688 PRESSURE: 1336800 -88.0872 187.964 -176.125 187.964 190.171 112.523 -176.125 112.522 -67.8412 GPRESSURE: 1336800 -21.4502 283.917 -184.42 127.089 144.281 120.211 94.8357 120.529 -9.07697 PRESSAVG: 1336800 -2.08762 -0.463283 -2.45527 -0.463315 0.623143 36.3927 -2.45524 36.3928 8.08787 GPRESSAVG: 1336800 -4.06656 -0.174145 -2.63437 -1.35186 1.71404 35.7633 -0.704235 39.1709 8.77742 TIMING: 1336800 CPU: 4293.99, 0.0031547/step Wall: 4293.99, 0.0031547/step, 3.21008 hours remaining, 232.339844 MB of memory in use. ENERGY: 1336800 4029.9911 20538.6726 14464.4523 240.7211 -203347.9974 2325.4375 0.0000 0.0000 51772.2926 -109976.4301 297.5361 -161748.7228 -109609.4510 298.6930 11.4142 37.9179 760242.8892 2.2078 2.1416 PRESSURE: 1337000 144.82 -295.261 13.3112 -295.261 -61.6209 -211.622 13.3111 -211.623 31.5984 GPRESSURE: 1337000 83.4726 -170.676 49.9745 -204.917 51.4967 -226.767 10.3958 -111.576 80.8542 PRESSAVG: 1337000 -10.9341 -11.0864 28.9772 -11.0864 -21.6826 26.5834 28.9772 26.5834 32.5134 GPRESSAVG: 1337000 -10.0147 -12.4313 29.9289 -10.5411 -21.4764 27.2363 26.7397 26.267 31.3203 TIMING: 1337000 CPU: 4294.62, 0.0031505/step Wall: 4294.62, 0.0031505/step, 3.20564 hours remaining, 232.539062 MB of memory in use. ENERGY: 1337000 3943.0025 20406.5908 14457.8668 273.7972 -203579.7637 2458.4748 0.0000 0.0000 51896.5592 -110143.4723 298.2502 -162040.0315 -109781.0040 298.4997 38.2658 71.9412 759294.2268 -0.0344 -0.0569 PRESSURE: 1337200 185.644 51.2749 44.0647 51.2744 -5.48229 -21.5583 44.0646 -21.5581 879.134 GPRESSURE: 1337200 221.281 -70.142 20.2933 30.2283 97.1495 25.3865 114.144 -69.4801 857.865 PRESSAVG: 1337200 -0.197597 9.65684 34.9022 9.65686 -16.0517 -12.1111 34.9022 -12.1112 -3.18475 GPRESSAVG: 1337200 0.810715 13.0174 35.8289 8.88195 -16.7033 -11.2112 35.1737 -14.7255 -2.80913 TIMING: 1337200 CPU: 4295.25, 0.0031396/step Wall: 4295.25, 0.0031396/step, 3.19437 hours remaining, 232.539062 MB of memory in use. ENERGY: 1337200 3888.4303 20446.9215 14500.0342 241.8577 -203727.5326 2609.4532 0.0000 0.0000 51917.6812 -110123.1545 298.3716 -162040.8356 -109764.3811 297.7877 353.0988 392.0984 758923.9131 -6.4780 -6.2339 PRESSURE: 1337400 15.7873 -113.557 109.816 -113.556 248.097 -30.0452 109.815 -30.0458 -51.289 GPRESSURE: 1337400 81.3173 -164.982 200.663 -44.108 183.305 -20.3892 185.435 -17.6608 34.5073 PRESSAVG: 1337400 79.4099 -5.91033 -2.34493 -5.9104 -43.0831 -1.90001 -2.34495 -1.89996 9.62963 GPRESSAVG: 1337400 78.4829 -9.48435 -2.02015 -5.44244 -43.8607 -1.86719 -2.27378 0.28953 10.9799 TIMING: 1337400 CPU: 4295.87, 0.00312256/step Wall: 4295.87, 0.00312256/step, 3.17686 hours remaining, 232.539062 MB of memory in use. ENERGY: 1337400 4018.3282 20430.0758 14495.0233 248.9992 -203991.1878 2656.4787 0.0000 0.0000 52078.0776 -110064.2049 299.2934 -162142.2826 -109701.4838 298.3540 70.8651 99.7097 758671.8011 15.3188 15.2007 PRESSURE: 1337600 123.582 25.281 -124.549 25.2814 -188.045 107.057 -124.55 107.057 -239.279 GPRESSURE: 1337600 194.225 -50.7166 -126.805 149.876 -153.764 86.6824 -126.544 4.01127 -245.48 PRESSAVG: 1337600 -0.0754441 -6.47426 22.7639 -6.47425 -11.5125 31.5452 22.7638 31.5452 -9.32495 GPRESSAVG: 1337600 0.733583 -5.33283 21.3201 -6.45942 -10.4967 29.9761 24.3747 31.2036 -10.7999 TIMING: 1337600 CPU: 4296.5, 0.00315553/step Wall: 4296.5, 0.00315553/step, 3.21023 hours remaining, 232.539062 MB of memory in use. ENERGY: 1337600 3953.4748 20422.3290 14413.4488 227.2786 -203479.6882 2311.2254 0.0000 0.0000 52161.3369 -109990.5947 299.7719 -162151.9316 -109623.1745 298.3325 -101.2472 -68.3398 759630.8801 -6.9710 -6.8544 PRESSURE: 1337800 -175.137 -174.412 141.505 -174.412 -87.7864 135.254 141.506 135.253 200.234 GPRESSURE: 1337800 -41.952 -177.904 206.031 -178.922 -78.2981 27.7159 83.03 77.9658 139.04 PRESSAVG: 1337800 50.9986 4.08289 -35.8384 4.0829 -27.9769 -11.5479 -35.8384 -11.5479 5.25076 GPRESSAVG: 1337800 51.5886 2.6982 -35.8525 5.73864 -28.0375 -12.4579 -36.7379 -10.4886 4.66581 TIMING: 1337800 CPU: 4297.14, 0.0031624/step Wall: 4297.14, 0.0031624/step, 3.21704 hours remaining, 232.539062 MB of memory in use. ENERGY: 1337800 4012.8655 20586.3311 14462.8836 239.7050 -203593.6737 2428.3097 0.0000 0.0000 51941.9063 -109921.6725 298.5108 -161863.5788 -109550.5840 298.7456 -20.8967 6.2634 759667.2717 9.4242 9.4057 PRESSURE: 1338000 -104.146 31.3416 173.474 31.3418 181.756 -86.7403 173.474 -86.739 164.702 GPRESSURE: 1338000 -74.0093 -51.3057 81.0038 -23.0881 168.706 -187.498 144.984 5.81375 229.457 PRESSAVG: 1338000 18.4799 -15.7999 72.4037 -15.7999 17.7423 28.0077 72.4038 28.0077 23.6576 GPRESSAVG: 1338000 18.0858 -12.391 71.7865 -19.0351 16.8554 30.7243 71.8021 26.5851 25.5086 TIMING: 1338000 CPU: 4297.77, 0.00315139/step Wall: 4297.77, 0.00315139/step, 3.20566 hours remaining, 232.539062 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: 1338000 4055.8729 20640.2237 14416.8889 248.9315 -203734.9276 2423.4004 0.0000 0.0000 52076.0800 -109873.5303 299.2819 -161949.6103 -109517.9026 298.6319 80.7707 108.0514 758970.7332 19.9600 20.1499 PRESSURE: 1338200 -269.187 -20.4139 -199.661 -20.4139 -333.663 150.811 -199.662 150.81 -428.649 GPRESSURE: 1338200 -266.247 12.5666 -199.897 -125.695 -322.185 116.57 -48.723 205.143 -363.602 PRESSAVG: 1338200 -29.6462 -0.557611 44.639 -0.557637 13.1423 43.0783 44.639 43.0783 -1.0862 GPRESSAVG: 1338200 -30.3125 -3.21166 45.6938 2.57786 14.4038 42.1502 45.8347 43.8715 -1.52104 TIMING: 1338200 CPU: 4298.4, 0.00316917/step Wall: 4298.4, 0.00316917/step, 3.22358 hours remaining, 232.539062 MB of memory in use. ENERGY: 1338200 4037.0151 20502.9868 14417.2561 235.7658 -203299.1126 2185.7968 0.0000 0.0000 52119.0748 -109801.2171 299.5290 -161920.2919 -109428.2944 298.8021 -343.8329 -317.3447 760196.7477 -5.8634 -5.8099 PRESSURE: 1338400 -57.6755 -115.061 -2.72902 -115.06 -141.575 47.693 -2.72869 47.693 -494.13 GPRESSURE: 1338400 -59.4341 -83.2055 -88.2171 -187.206 -83.8093 84.1507 -12.3604 27.3697 -460.252 PRESSAVG: 1338400 -14.585 -40.8043 40.2461 -40.8043 10.9412 36.693 40.2461 36.6931 0.36938 GPRESSAVG: 1338400 -14.7405 -40.627 41.2269 -40.5638 10.082 37.3384 38.5674 35.6141 0.716184 TIMING: 1338400 CPU: 4299.04, 0.00318996/step Wall: 4299.04, 0.00318996/step, 3.24454 hours remaining, 232.539062 MB of memory in use. ENERGY: 1338400 4043.9173 20454.1474 14497.8981 249.1579 -203481.8280 2277.7817 0.0000 0.0000 52249.3337 -109709.5918 300.2776 -161958.9255 -109350.9188 299.2297 -231.1270 -201.1652 760273.8171 -1.0915 -1.3141 PRESSURE: 1338600 -354.966 -59.1471 197.296 -59.1477 -181.895 -28.4414 197.296 -28.441 -600.051 GPRESSURE: 1338600 -262.015 -21.8992 141.654 -21.4829 -258.046 17.5537 39.6276 14.0376 -545.511 PRESSAVG: 1338600 -30.1921 -60.183 -4.37203 -60.183 21.5917 -21.9306 -4.37201 -21.9307 -4.71842 GPRESSAVG: 1338600 -30.0956 -59.2589 -5.69434 -60.8861 21.5684 -22.4269 -5.43137 -20.476 -4.88214 TIMING: 1338600 CPU: 4299.67, 0.00317678/step Wall: 4299.67, 0.00317678/step, 3.23096 hours remaining, 232.539062 MB of memory in use. ENERGY: 1338600 4057.4635 20642.7321 14464.2216 255.0693 -203764.5945 2388.9335 0.0000 0.0000 52149.5926 -109806.5820 299.7044 -161956.1746 -109448.5178 299.0099 -378.9708 -355.1908 761410.5890 -4.4396 -4.4698 PRESSURE: 1338800 -298.789 -50.531 197.945 -50.5309 -62.1074 239.93 197.946 239.931 -233.804 GPRESSURE: 1338800 -235.832 -143.078 224.63 -32.6785 -6.90255 244.86 261.66 135.841 -264.923 PRESSAVG: 1338800 -2.87276 -39.2118 14.9399 -39.2118 39.2419 -3.10596 14.9399 -3.10589 -0.505672 GPRESSAVG: 1338800 -3.55332 -41.5498 14.5586 -40.3871 40.4711 -3.51661 17.3191 -2.5218 -0.874942 TIMING: 1338800 CPU: 4300.3, 0.00314452/step Wall: 4300.3, 0.00314452/step, 3.19798 hours remaining, 232.539062 MB of memory in use. ENERGY: 1338800 3983.9556 20469.6242 14513.3875 258.5477 -203757.6576 2660.7459 0.0000 0.0000 51977.7299 -109893.6669 298.7167 -161871.3968 -109533.9394 298.6735 -198.2336 -169.2190 760174.6187 11.9545 12.0143 PRESSURE: 1339000 -317.715 -172.794 228.925 -172.794 105.48 320.449 228.926 320.449 286.815 GPRESSURE: 1339000 -260.338 -139.12 202.702 -213.612 166.647 323.717 187.146 272.534 263.687 PRESSAVG: 1339000 -24.5357 -7.90084 62.3453 -7.90088 14.2776 -19.5187 62.3453 -19.5188 -10.805 GPRESSAVG: 1339000 -25.413 -6.68288 62.2092 -7.07413 14.2258 -18.3074 62.4402 -21.5962 -9.77866 TIMING: 1339000 CPU: 4300.93, 0.00315552/step Wall: 4300.93, 0.00315552/step, 3.20899 hours remaining, 232.539062 MB of memory in use. ENERGY: 1339000 4011.1971 20398.4158 14460.0179 227.7561 -203056.2819 2191.5574 0.0000 0.0000 51898.9017 -109868.4360 298.2637 -161767.3377 -109501.0216 298.4557 24.8598 56.6652 759685.8981 -7.0210 -6.9886 PRESSURE: 1339200 -218.06 20.1791 244.997 20.1794 4.78092 -94.6944 244.997 -94.6952 165.716 GPRESSURE: 1339200 -162.871 134.149 274.251 16.7515 86.9121 -198.986 48.1036 -114.007 133.756 PRESSAVG: 1339200 -16.3795 -38.4681 1.12673 -38.4682 15.6198 8.21829 1.12673 8.21831 0.0223238 GPRESSAVG: 1339200 -14.2635 -37.2436 1.01501 -38.8851 14.3572 6.44909 -0.57283 7.70219 -1.01653 TIMING: 1339200 CPU: 4301.57, 0.00317811/step Wall: 4301.57, 0.00317811/step, 3.23178 hours remaining, 232.539062 MB of memory in use. ENERGY: 1339200 4020.1151 20485.1625 14435.9957 235.5173 -203711.5224 2479.6169 0.0000 0.0000 52091.4599 -109963.6550 299.3703 -162055.1149 -109608.8828 298.5658 -15.8542 19.2657 758815.0402 -0.2458 -0.3076 PRESSURE: 1339400 301.406 93.3317 13.4388 93.3317 448.64 -122.706 13.4401 -122.708 62.7557 GPRESSURE: 1339400 392.351 52.508 -42.0188 -40.5805 476.254 -119.905 -41.0451 -152.063 38.6082 PRESSAVG: 1339400 34.5463 -34.5918 16.1812 -34.5918 -46.1399 27.284 16.1812 27.284 2.60349 GPRESSAVG: 1339400 33.6131 -35.0956 15.8755 -33.924 -46.5326 26.9968 17.4705 28.9807 4.16631 TIMING: 1339400 CPU: 4302.21, 0.00318216/step Wall: 4302.21, 0.00318216/step, 3.23572 hours remaining, 232.539062 MB of memory in use. ENERGY: 1339400 3922.8890 20659.3126 14422.2938 219.4152 -203912.4709 2936.0292 0.0000 0.0000 51832.9174 -109919.6137 297.8845 -161752.5311 -109564.7705 298.6593 270.9337 302.4043 759194.9917 -2.9967 -2.9177 PRESSURE: 1339600 -175.381 204.881 -276.686 204.88 -22.3609 -91.6271 -276.686 -91.6267 194.589 GPRESSURE: 1339600 -163.119 200.694 -310.845 123.783 -15.9766 -76.0005 -110.525 -86.0462 268.711 PRESSAVG: 1339600 7.11193 16.4703 9.67029 16.4702 -8.91018 11.828 9.67027 11.828 12.9086 GPRESSAVG: 1339600 6.78129 15.5136 9.83524 15.9633 -7.91027 11.8832 9.99863 10.8316 11.8141 TIMING: 1339600 CPU: 4302.84, 0.0031753/step Wall: 4302.84, 0.0031753/step, 3.22858 hours remaining, 232.539062 MB of memory in use. ENERGY: 1339600 3939.7814 20498.9911 14456.3316 273.7732 -203661.3222 2457.4559 0.0000 0.0000 52067.0373 -109967.9517 299.2300 -162034.9890 -109600.1428 298.3533 -1.0509 29.8715 759388.3700 3.7034 3.5617 PRESSURE: 1339800 182.628 189.005 -226.489 189.005 192.084 -137.685 -226.489 -137.684 -327.213 GPRESSURE: 1339800 241.332 45.2244 -203.73 248.335 161.899 -163.533 -102.998 26.334 -268.275 PRESSAVG: 1339800 23.1555 -52.4534 -32.6773 -52.4534 -40.199 27.8944 -32.6773 27.8943 -0.0139656 GPRESSAVG: 1339800 22.2519 -53.2519 -32.523 -52.8994 -40.0793 29.6396 -32.7983 29.7596 0.436421 TIMING: 1339800 CPU: 4303.48, 0.00317349/step Wall: 4303.48, 0.00317349/step, 3.22656 hours remaining, 232.539062 MB of memory in use. ENERGY: 1339800 4037.4503 20574.6243 14415.9757 254.0616 -203367.2971 2336.9333 0.0000 0.0000 51850.0826 -109898.1692 297.9831 -161748.2518 -109544.9396 298.6897 15.8326 44.9855 757747.2117 -5.6858 -5.7970 PRESSURE: 1340000 -33.8718 33.778 240.006 33.7776 38.0932 49.1269 240.007 49.1267 239.676 GPRESSURE: 1340000 58.185 9.91528 190.396 88.4819 25.1529 41.3053 165.654 -67.8189 241.569 PRESSAVG: 1340000 99.967 10.5268 17.7118 10.5268 -45.8068 18.4637 17.7118 18.4636 16.9132 GPRESSAVG: 1340000 100.805 11.3933 19.1102 11.306 -46.0547 16.6083 17.4622 16.8956 15.9094 TIMING: 1340000 CPU: 4304.11, 0.00318377/step Wall: 4304.11, 0.00318377/step, 3.23683 hours remaining, 232.539062 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: 1340000 4060.2182 20478.3622 14448.7597 247.0513 -203771.1904 2771.9401 0.0000 0.0000 52033.9240 -109730.9348 299.0397 -161764.8588 -109360.9680 299.0966 81.2991 108.3022 758745.7057 23.6911 23.5531 PRESSURE: 1340200 -49.6002 -155.589 -213.955 -155.589 97.7832 -3.25656 -213.956 -3.2564 182.11 GPRESSURE: 1340200 41.4623 -98.0007 -292.747 -158.479 89.1676 23.8659 -311.144 85.1889 196.206 PRESSAVG: 1340200 40.0903 7.50064 67.4147 7.50058 -1.5599 -18.3404 67.4147 -18.3404 -9.36233 GPRESSAVG: 1340200 40.3706 9.56053 65.2887 7.55575 -2.48357 -18.7582 66.8247 -18.9511 -8.80104 TIMING: 1340200 CPU: 4304.75, 0.00316683/step Wall: 4304.75, 0.00316683/step, 3.21944 hours remaining, 232.539062 MB of memory in use. ENERGY: 1340200 4059.3505 20544.7242 14451.0924 244.7429 -203872.9280 2749.2274 0.0000 0.0000 51959.1810 -109864.6096 298.6101 -161823.7906 -109509.2788 298.9652 76.7642 108.9452 759103.8414 9.7227 9.6953 LDB: ============= START OF LOAD BALANCING ============== 4317.17 LDB: ============== END OF LOAD BALANCING =============== 4317.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4317.17 LDB: ============= START OF LOAD BALANCING ============== 4317.49 LDB: Largest compute 7070 load 0.034321 is 17.6% of average load 0.195275 LDB: Average compute 0.004382 is 2.2% of average load 0.195275 LDB: TIME 4317.49 LOAD: AVG 0.195275 MAX 0.21834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.109 MB LDB: TIME 4317.49 LOAD: AVG 0.195275 MAX 0.21834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: TIME 4317.49 LOAD: AVG 0.195275 MAX 0.217658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: ============== END OF LOAD BALANCING =============== 4317.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4317.5 PRESSURE: 1340400 -329.22 160.147 -94.3627 160.147 33.6824 -15.6451 -94.3623 -15.6452 121.406 GPRESSURE: 1340400 -279.322 100.032 -55.4396 248.751 33.4334 -159.128 -8.22672 36.3946 158.082 PRESSAVG: 1340400 -6.68084 -29.6168 24.4029 -29.6168 15.8601 -1.09954 24.4029 -1.09956 2.49955 GPRESSAVG: 1340400 -7.72895 -33.6689 25.1225 -30.9626 15.8026 -1.34725 23.6539 -0.318157 3.91336 TIMING: 1340400 CPU: 4305.39, 0.00322959/step Wall: 4305.39, 0.00322959/step, 3.28305 hours remaining, 232.074219 MB of memory in use. ENERGY: 1340400 4001.1173 20395.4889 14508.0689 260.9645 -203257.9329 2302.5417 0.0000 0.0000 51883.7574 -109905.9943 298.1767 -161789.7517 -109547.0117 298.5529 -58.0437 -29.2691 761651.1654 3.8929 3.9957 PRESSURE: 1340600 -170.533 -136.323 123.594 -136.323 190.996 120.151 123.594 120.151 -110.57 GPRESSURE: 1340600 -132.99 -127.911 203.198 -249.84 252.027 38.247 93.334 132.959 -113.046 PRESSAVG: 1340600 9.03641 24.6512 -9.76921 24.6512 8.6345 14.4056 -9.76921 14.4055 26.83 GPRESSAVG: 1340600 10.2622 27.0683 -8.15595 25.262 9.25195 13.7559 -9.96977 14.1956 25.5058 TIMING: 1340600 CPU: 4306.02, 0.00315903/step Wall: 4306.02, 0.00315903/step, 3.21115 hours remaining, 232.128906 MB of memory in use. ENERGY: 1340600 4001.1959 20439.9649 14414.3863 230.5873 -203738.3465 2610.4696 0.0000 0.0000 52291.3424 -109750.4001 300.5191 -162041.7425 -109382.0658 299.1102 -30.0356 1.9971 759723.4529 14.8337 15.0067 PRESSURE: 1340800 -66.4792 207.083 -3.97766 207.084 -32.4818 208.3 -3.97716 208.3 193.573 GPRESSURE: 1340800 -56.6082 61.7974 -16.2266 244.848 34.7027 160.619 -51.4055 163.393 199.208 PRESSAVG: 1340800 18.5845 -45.4166 50.1403 -45.4166 40.1484 -33.362 50.1403 -33.362 -0.509261 GPRESSAVG: 1340800 18.5076 -45.445 48.8231 -42.1634 39.3952 -31.3862 51.9849 -33.7726 -0.042056 TIMING: 1340800 CPU: 4306.65, 0.00315006/step Wall: 4306.65, 0.00315006/step, 3.20186 hours remaining, 232.128906 MB of memory in use. ENERGY: 1340800 3957.9920 20487.3583 14449.5275 252.2601 -203223.8239 2379.7697 0.0000 0.0000 51953.3896 -109743.5267 298.5768 -161696.9163 -109385.6106 298.6888 31.5373 59.1009 761430.8097 19.4079 19.2869 PRESSURE: 1341000 -310.349 -191.751 -15.7551 -191.751 -255.452 -204.222 -15.7547 -204.221 47.7797 GPRESSURE: 1341000 -227.519 -142.937 -60.6375 -217.495 -277.952 -196.905 -44.9735 93.6021 68.2466 PRESSAVG: 1341000 12.1991 -42.6671 -13.6175 -42.6671 -54.0466 -9.07423 -13.6176 -9.07426 1.90815 GPRESSAVG: 1341000 12.1047 -43.4161 -12.4593 -44.1178 -53.2377 -9.71346 -14.4873 -8.88687 1.45693 TIMING: 1341000 CPU: 4307.28, 0.0031209/step Wall: 4307.28, 0.0031209/step, 3.17204 hours remaining, 232.128906 MB of memory in use. ENERGY: 1341000 4061.0538 20467.9296 14459.6065 264.2703 -203340.1266 2437.2768 0.0000 0.0000 51756.1225 -109893.8671 297.4431 -161649.9897 -109533.1002 298.5493 -172.6739 -145.7414 761850.6757 -13.3131 -13.2254 PRESSURE: 1341200 -42.932 -52.9433 75.1422 -52.9424 -76.1451 131.965 75.1419 131.964 -91.4986 GPRESSURE: 1341200 8.35638 -2.58175 116.13 -54.8038 -71.332 117.857 74.059 141.549 -81.3689 PRESSAVG: 1341200 -19.7882 15.3145 20.7676 15.3145 4.88169 -43.7869 20.7675 -43.7868 2.68185 GPRESSAVG: 1341200 -18.2245 16.8468 17.1843 14.3658 3.34752 -43.0184 21.8454 -41.9424 3.08103 TIMING: 1341200 CPU: 4307.91, 0.00314221/step Wall: 4307.91, 0.00314221/step, 3.19353 hours remaining, 232.128906 MB of memory in use. ENERGY: 1341200 4102.6664 20270.5247 14447.6973 264.8670 -203605.8156 2631.7616 0.0000 0.0000 51947.9236 -109940.3749 298.5454 -161888.2985 -109574.1977 298.3181 -70.1919 -48.1148 761091.1682 -4.0749 -3.9320 PRESSURE: 1341400 122.616 65.5082 -67.611 65.5082 125.431 194.916 -67.6115 194.916 244.291 GPRESSURE: 1341400 172.744 54.579 -25.1338 17.8682 183.905 137.4 -113.97 12.9263 235.017 PRESSAVG: 1341400 -11.2349 19.3777 -42.2828 19.3777 -13.017 -33.8546 -42.2827 -33.8546 -28.8447 GPRESSAVG: 1341400 -11.4682 18.501 -39.7418 19.3544 -12.6385 -33.4314 -45.014 -34.2995 -28.8032 TIMING: 1341400 CPU: 4308.54, 0.00315829/step Wall: 4308.54, 0.00315829/step, 3.2097 hours remaining, 232.128906 MB of memory in use. ENERGY: 1341400 3969.6842 20351.5651 14381.8155 257.5935 -203424.4105 2526.0163 0.0000 0.0000 52009.8366 -109927.8993 298.9012 -161937.7359 -109573.5931 298.2368 164.1129 197.2216 761885.7662 -17.6988 -17.6366 PRESSURE: 1341600 10.0003 -93.4376 -64.9312 -93.4373 -124.58 -117.971 -64.9321 -117.972 -221.211 GPRESSURE: 1341600 94.2786 -19.1294 -14.8346 -131.26 -127.179 -80.1795 48.7711 -156.324 -207.081 PRESSAVG: 1341600 86.2563 -61.0955 16.3735 -61.0955 -69.8827 4.14646 16.3735 4.14634 -1.60748 GPRESSAVG: 1341600 84.8269 -59.9562 15.3108 -61.0644 -68.0969 3.83721 19.267 2.70612 -2.06203 TIMING: 1341600 CPU: 4309.17, 0.0031491/step Wall: 4309.17, 0.0031491/step, 3.20018 hours remaining, 232.128906 MB of memory in use. ENERGY: 1341600 3873.6446 20525.7667 14430.0702 239.1952 -203351.4350 2483.0802 0.0000 0.0000 51700.6893 -110098.9888 297.1246 -161799.6781 -109750.4906 297.8927 -111.9302 -79.9941 761680.2908 4.9220 4.8893 PRESSURE: 1341800 -164.815 123.787 -70.6367 123.787 -109.317 -137.139 -70.637 -137.139 313.999 GPRESSURE: 1341800 -12.3146 72.3622 -111.267 99.6497 -95.0715 -55.9322 -79.5541 -249.222 216.53 PRESSAVG: 1341800 35.866 -1.38578 -42.0487 -1.38582 -60.7534 -58.8968 -42.0486 -58.8969 -9.15491 GPRESSAVG: 1341800 36.5854 -2.0232 -41.6343 -0.262618 -62.4646 -59.4181 -41.8983 -57.3107 -8.47076 TIMING: 1341800 CPU: 4309.79, 0.00313277/step Wall: 4309.79, 0.00313277/step, 3.18342 hours remaining, 232.128906 MB of memory in use. ENERGY: 1341800 3966.5568 20452.6759 14527.1993 253.0959 -203725.5574 2735.0029 0.0000 0.0000 51605.8785 -110185.1481 296.5797 -161791.0266 -109823.9573 298.1013 13.2889 36.3813 759725.1977 -11.3474 -11.4500 PRESSURE: 1342000 -141.687 -109.47 -280.125 -109.469 -112.729 -119.707 -280.124 -119.707 -242.319 GPRESSURE: 1342000 -131.259 -78.4389 -273.718 -48.3155 -80.6947 -162.497 -113.52 -99.3418 -191.197 PRESSAVG: 1342000 -20.6223 -21.7967 -44.558 -21.7966 15.4633 26.5321 -44.558 26.5321 12.4454 GPRESSAVG: 1342000 -22.6437 -21.5616 -43.3542 -21.7393 17.0523 26.5143 -43.6385 24.7259 12.8084 TIMING: 1342000 CPU: 4310.42, 0.00314707/step Wall: 4310.42, 0.00314707/step, 3.19778 hours remaining, 232.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1342000 3994.1549 20336.0667 14498.4066 222.3249 -203237.2407 2214.8743 0.0000 0.0000 51862.0530 -110109.3603 298.0519 -161971.4133 -109755.9867 297.8935 -165.5782 -134.3837 761752.0399 2.4288 2.4057 PRESSURE: 1342200 15.5792 -39.4678 189.474 -39.4683 -172.772 200.572 189.474 200.572 81.9831 GPRESSURE: 1342200 -12.6267 -92.9999 268.542 -138.061 -61.5295 213.059 116.665 251.204 67.9645 PRESSAVG: 1342200 25.5706 -50.4641 28.6086 -50.4641 -32.1919 20.1426 28.6087 20.1426 21.028 GPRESSAVG: 1342200 26.5476 -50.6095 29.6897 -51.2647 -33.6611 19.6813 28.4584 21.5186 21.4805 TIMING: 1342200 CPU: 4311.06, 0.00317035/step Wall: 4311.06, 0.00317035/step, 3.22126 hours remaining, 232.128906 MB of memory in use. ENERGY: 1342200 3988.9985 20443.8419 14482.7356 241.2228 -203197.7046 2113.3603 0.0000 0.0000 51877.4314 -110050.1140 298.1403 -161927.5454 -109692.1880 297.7030 -25.0700 -2.0639 761105.9504 4.8022 4.7890 PRESSURE: 1342400 79.1531 -185.685 123.833 -185.686 -129.579 -153.253 123.832 -153.253 189.608 GPRESSURE: 1342400 19.3809 -181.059 78.2576 -148.034 0.901485 -140.119 114.421 -12.6416 201.359 PRESSAVG: 1342400 30.3062 -36.0885 38.5794 -36.0885 -34.6785 50.92 38.5794 50.9201 3.05072 GPRESSAVG: 1342400 30.138 -36.6131 37.0022 -35.2771 -34.9843 50.8317 36.0387 50.7347 3.46061 TIMING: 1342400 CPU: 4311.69, 0.00315496/step Wall: 4311.69, 0.00315496/step, 3.20544 hours remaining, 232.128906 MB of memory in use. ENERGY: 1342400 3953.2064 20386.6056 14483.2073 246.3763 -203672.0959 2445.5994 0.0000 0.0000 52108.3715 -110048.7294 299.4675 -162157.1009 -109680.8817 298.3969 46.3942 73.8805 760348.6675 -0.4405 -0.4619 PRESSURE: 1342600 -35.1 95.9992 27.2452 95.9987 -611.827 184.913 27.2452 184.914 206.037 GPRESSURE: 1342600 -43.7526 142.899 0.475052 83.6301 -480.554 147.451 48.4776 105.698 168.213 PRESSAVG: 1342600 12.613 -36.9104 7.3949 -36.9104 -59.0915 -4.1798 7.39491 -4.17986 -0.245203 GPRESSAVG: 1342600 11.9876 -34.8823 7.56815 -38.0508 -58.2173 -3.25189 9.48562 -2.82132 -0.804415 TIMING: 1342600 CPU: 4312.32, 0.00316428/step Wall: 4312.32, 0.00316428/step, 3.21473 hours remaining, 232.363281 MB of memory in use. ENERGY: 1342600 3963.0871 20338.8612 14486.6297 250.8265 -203635.8233 2442.6620 0.0000 0.0000 52083.0075 -110070.7494 299.3218 -162153.7569 -109701.6076 298.2523 -146.9633 -118.6979 760198.0690 -15.5746 -15.6780 PRESSURE: 1342800 97.7305 -83.7306 -134.908 -83.73 -209.902 -17.6832 -134.908 -17.6828 501.135 GPRESSURE: 1342800 180.196 -145.929 -49.0528 -24.5332 -199.75 -24.9005 -157.283 -155.985 501.983 PRESSAVG: 1342800 27.9373 -25.2418 45.4473 -25.2418 -56.9025 14.0148 45.4472 14.0148 8.8342 GPRESSAVG: 1342800 28.3678 -27.9481 44.987 -25.6772 -57.9682 15.6835 45.6295 11.9537 9.76363 TIMING: 1342800 CPU: 4312.95, 0.00316429/step Wall: 4312.95, 0.00316429/step, 3.21456 hours remaining, 232.363281 MB of memory in use. ENERGY: 1342800 3915.1007 20455.4918 14423.1865 243.9336 -203826.3850 2612.4917 0.0000 0.0000 52047.3761 -110128.8045 299.1170 -162176.1806 -109766.0301 298.2499 129.6546 160.8098 759197.8511 -6.7103 -6.6122 PRESSURE: 1343000 -403.83 -158.773 -130.526 -158.773 -196.215 20.3665 -130.525 20.366 80.8378 GPRESSURE: 1343000 -423.391 -112.764 -158.405 -73.5128 -184.17 -20.1327 -101.008 8.08064 183.428 PRESSAVG: 1343000 55.8694 4.25007 36.3462 4.25014 -56.2754 37.9492 36.3462 37.9491 -3.30109 GPRESSAVG: 1343000 55.6295 6.96031 37.7759 6.1492 -54.9239 35.8794 35.2285 39.0524 -3.73505 TIMING: 1343000 CPU: 4313.59, 0.00315476/step Wall: 4313.59, 0.00315476/step, 3.20471 hours remaining, 232.363281 MB of memory in use. ENERGY: 1343000 3935.3135 20646.0801 14424.4202 240.5539 -203372.1209 2349.2190 0.0000 0.0000 51598.2013 -110178.3328 296.5356 -161776.5342 -109811.2477 298.3113 -173.0692 -141.3778 761454.1547 -1.2357 -1.0098 PRESSURE: 1343200 43.0457 112.839 41.3704 112.839 -89.2962 63.6104 41.3707 63.61 196.968 GPRESSURE: 1343200 26.9908 29.2745 44.7898 65.0216 14.6937 145.829 57.7898 52.2901 188.758 PRESSAVG: 1343200 51.8419 -16.9959 -19.7269 -16.9959 11.2704 70.9289 -19.7269 70.929 0.755511 GPRESSAVG: 1343200 51.304 -18.9856 -20.6282 -18.1453 12.0021 70.5959 -19.4751 72.021 0.284324 TIMING: 1343200 CPU: 4314.21, 0.00314469/step Wall: 4314.21, 0.00314469/step, 3.19431 hours remaining, 232.363281 MB of memory in use. ENERGY: 1343200 4011.2078 20334.1194 14452.9165 242.5792 -203249.2807 2242.2641 0.0000 0.0000 51809.4694 -110156.7242 297.7497 -161966.1936 -109801.4792 298.1680 50.2393 76.8143 760388.1907 21.2893 21.1968 PRESSURE: 1343400 115.849 -48.6524 51.694 -48.6523 -117.949 -121.648 51.6937 -121.647 -103.892 GPRESSURE: 1343400 150.688 -10.7637 89.6757 111.887 -169.274 -147.967 7.53048 -172.461 7.57565 PRESSAVG: 1343400 66.3549 -29.6765 34.4262 -29.6766 -72.2624 -21.5915 34.4261 -21.5915 -17.0128 GPRESSAVG: 1343400 67.1589 -31.56 33.7424 -28.8243 -72.4318 -21.5721 33.5277 -22.9896 -17.176 TIMING: 1343400 CPU: 4314.84, 0.0031277/step Wall: 4314.84, 0.0031277/step, 3.17688 hours remaining, 232.363281 MB of memory in use. ENERGY: 1343400 4003.8388 20419.2883 14435.4092 251.2153 -203581.4776 2388.7530 0.0000 0.0000 52042.2554 -110040.7176 299.0876 -162082.9731 -109672.5277 298.0194 -35.3305 -3.6701 759517.9175 -7.6401 -7.4830 PRESSURE: 1343600 -233.586 -57.2815 136.336 -57.2817 -217.846 -25.8762 136.336 -25.8758 241.04 GPRESSURE: 1343600 -198.892 -38.8548 207.32 -45.9452 -152.794 39.5874 79.9631 19.467 217.324 PRESSAVG: 1343600 -0.601852 -7.4764 8.07103 -7.47644 -45.8574 -34.6747 8.07105 -34.6746 7.00821 GPRESSAVG: 1343600 -1.07534 -4.58398 9.86265 -10.7511 -46.5104 -34.832 10.728 -34.5412 8.33623 TIMING: 1343600 CPU: 4315.47, 0.00315492/step Wall: 4315.47, 0.00315492/step, 3.20435 hours remaining, 232.363281 MB of memory in use. ENERGY: 1343600 3973.4822 20400.4775 14467.5840 251.8154 -203247.5494 2277.6591 0.0000 0.0000 51964.5063 -109912.0249 298.6407 -161876.5312 -109546.4274 298.3694 -70.1305 -44.7875 759949.2783 -13.1503 -13.0832 PRESSURE: 1343800 61.8832 49.116 124.481 49.1159 -263.928 -50.1265 124.481 -50.1261 -285.122 GPRESSURE: 1343800 26.4027 105.262 78.4756 -47.8513 -219.149 24.3544 87.8311 95.1451 -197.603 PRESSAVG: 1343800 32.0245 -7.91128 48.846 -7.91131 -62.6031 22.6687 48.8459 22.6688 -11.8952 GPRESSAVG: 1343800 32.5997 -8.95503 49.2516 -6.95625 -61.5629 24.2829 46.9934 20.3683 -13.657 TIMING: 1343800 CPU: 4316.1, 0.00315663/step Wall: 4316.1, 0.00315663/step, 3.20591 hours remaining, 232.363281 MB of memory in use. ENERGY: 1343800 4011.4509 20403.5312 14479.0326 247.9276 -203287.4543 2223.5855 0.0000 0.0000 52151.1510 -109770.7755 299.7134 -161921.9265 -109392.2294 298.5824 -162.3892 -130.1166 760152.5867 -14.1579 -14.2068 PRESSURE: 1344000 326.713 73.8716 -20.1231 73.871 172.239 20.8168 -20.1234 20.8162 273.53 GPRESSURE: 1344000 373.162 -36.9592 -12.8863 43.5341 186.33 34.7845 49.2403 -33.162 319.469 PRESSAVG: 1344000 26.4093 -56.6927 6.20916 -56.6927 -28.0647 8.4192 6.20918 8.41913 -9.09092 GPRESSAVG: 1344000 27.5434 -57.2993 4.19783 -54.3668 -29.3876 6.4652 4.57378 9.66267 -9.07884 TIMING: 1344000 CPU: 4316.73, 0.00315821/step Wall: 4316.73, 0.00315821/step, 3.20734 hours remaining, 232.363281 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: 1344000 4039.6596 20354.3347 14454.3174 266.6865 -203620.5207 2846.0522 0.0000 0.0000 51828.5580 -109830.9123 297.8594 -161659.4703 -109464.0653 298.6256 257.4940 292.9870 759607.8415 -3.5821 -3.6410 PRESSURE: 1344200 -288.636 -153.446 107.681 -153.446 -113.564 -149.98 107.681 -149.979 -311.838 GPRESSURE: 1344200 -285.764 -98.8403 72.5026 -159.574 -57.1027 -114.59 123.26 -30.9447 -270.968 PRESSAVG: 1344200 11.2063 1.57532 11.7748 1.57535 -22.2205 11.8061 11.7748 11.8061 -9.35467 GPRESSAVG: 1344200 10.4479 1.67705 10.875 0.831363 -21.7552 13.6296 14.9149 12.0896 -9.07014 TIMING: 1344200 CPU: 4317.36, 0.00313629/step Wall: 4317.36, 0.00313629/step, 3.1849 hours remaining, 232.363281 MB of memory in use. ENERGY: 1344200 3931.3999 20390.8522 14445.3873 227.3801 -203514.1558 2480.1686 0.0000 0.0000 52118.4457 -109920.5220 299.5254 -162038.9677 -109558.1024 298.6209 -238.0127 -204.6117 761165.5939 -6.7896 -6.7925 LDB: ============= START OF LOAD BALANCING ============== 4329.78 LDB: ============== END OF LOAD BALANCING =============== 4329.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4329.79 LDB: ============= START OF LOAD BALANCING ============== 4330.1 LDB: Largest compute 7070 load 0.035373 is 18.1% of average load 0.195269 LDB: Average compute 0.004394 is 2.3% of average load 0.195269 LDB: TIME 4330.11 LOAD: AVG 0.195269 MAX 0.212868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.801 MB LDB: TIME 4330.11 LOAD: AVG 0.195269 MAX 0.212868 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.801 MB LDB: TIME 4330.11 LOAD: AVG 0.195269 MAX 0.212868 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.801 MB LDB: ============== END OF LOAD BALANCING =============== 4330.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4330.11 PRESSURE: 1344400 16.536 2.72164 -31.4921 2.72228 118.791 -71.9671 -31.493 -71.9675 235.076 GPRESSURE: 1344400 54.0962 -48.4435 4.63201 -67.3295 199.463 -23.9163 -155.149 -72.5931 191.148 PRESSAVG: 1344400 19.6448 -3.58242 -38.3812 -3.5824 12.1561 27.6662 -38.3812 27.6662 25.995 GPRESSAVG: 1344400 19.3988 -3.42419 -38.3177 -5.5677 13.2536 27.1816 -40.5805 27.5207 25.6203 TIMING: 1344400 CPU: 4318.01, 0.00323873/step Wall: 4318.01, 0.00323873/step, 3.28875 hours remaining, 231.312500 MB of memory in use. ENERGY: 1344400 4021.6744 20443.8514 14476.1736 251.4154 -203461.2687 2489.5921 0.0000 0.0000 51962.3368 -109816.2250 298.6283 -161778.5619 -109450.6861 298.6687 123.4679 148.2358 760578.7756 19.2653 19.4242 PRESSURE: 1344600 78.8194 141.719 -0.29099 141.719 -229.151 24.7158 -0.291623 24.7166 103.675 GPRESSURE: 1344600 72.7357 111.159 42.3719 111.122 -119.062 21.1485 -13.6213 14.916 109.519 PRESSAVG: 1344600 71.9076 -44.3796 24.59 -44.3796 -48.7491 -7.41797 24.5899 -7.41792 4.99988 GPRESSAVG: 1344600 70.448 -44.7424 25.0599 -42.7639 -48.4527 -6.91014 24.5003 -6.37627 6.33823 TIMING: 1344600 CPU: 4318.64, 0.00316131/step Wall: 4318.64, 0.00316131/step, 3.20996 hours remaining, 231.511719 MB of memory in use. ENERGY: 1344600 3932.8525 20509.5041 14472.3021 231.0109 -203701.7973 2580.5742 0.0000 0.0000 52111.0364 -109864.5171 299.4828 -161975.5535 -109510.1171 299.0935 -15.5524 21.0641 758697.0927 9.3861 9.4445 PRESSURE: 1344800 -144.027 35.2546 72.3197 35.2552 -271.209 103.985 72.3197 103.986 42.9128 GPRESSURE: 1344800 -178.249 23.9836 40.096 16.267 -199.222 161.058 90.9831 -36.8177 80.1352 PRESSAVG: 1344800 21.2597 -34.493 28.5595 -34.493 -10.8602 20.1825 28.5596 20.1826 18.406 GPRESSAVG: 1344800 21.7967 -34.5163 30.0086 -34.1697 -10.9202 20.2045 28.6236 18.0584 17.4349 TIMING: 1344800 CPU: 4319.27, 0.00314676/step Wall: 4319.27, 0.00314676/step, 3.19501 hours remaining, 231.511719 MB of memory in use. ENERGY: 1344800 3934.2384 20566.4986 14543.6342 258.1708 -203425.8894 2247.2364 0.0000 0.0000 52101.0603 -109775.0507 299.4255 -161876.1110 -109409.8766 299.2896 -124.1077 -99.1122 760229.0940 9.6018 9.4371 PRESSURE: 1345000 -199.303 16.5996 -269.959 16.5987 408.28 118.514 -269.959 118.514 -28.4787 GPRESSURE: 1345000 -72.637 57.4264 -215.162 34.4697 303.375 173.806 -295.949 130.52 25.7992 PRESSAVG: 1345000 10.352 -44.3677 19.2325 -44.3677 -30.4343 -28.433 19.2325 -28.433 -2.19002 GPRESSAVG: 1345000 11.1867 -41.5394 17.8813 -44.7354 -31.4197 -28.3392 18.7609 -28.1458 -2.32873 TIMING: 1345000 CPU: 4319.9, 0.00314004/step Wall: 4319.9, 0.00314004/step, 3.18801 hours remaining, 231.511719 MB of memory in use. ENERGY: 1345000 3957.3561 20596.6160 14503.7951 235.6271 -203777.5293 2524.4592 0.0000 0.0000 51901.7168 -110057.9590 298.2799 -161959.6758 -109693.5059 298.3767 60.1661 85.5124 759017.4944 -7.4241 -7.5206 PRESSURE: 1345200 122.055 -165.712 -81.6409 -165.712 -303.534 81.2731 -81.6402 81.2732 73.6887 GPRESSURE: 1345200 64.4726 -107.081 -103.268 -203.535 -176.909 85.9625 -49.6305 103.94 99.5172 PRESSAVG: 1345200 12.6579 -52.2745 0.200449 -52.2745 2.66472 4.23153 0.200463 4.23161 -0.674606 GPRESSAVG: 1345200 11.1345 -53.3021 -0.0971451 -52.1108 3.50833 3.59164 0.478092 6.65639 -0.104529 TIMING: 1345200 CPU: 4320.53, 0.00313445/step Wall: 4320.53, 0.00313445/step, 3.18217 hours remaining, 231.511719 MB of memory in use. ENERGY: 1345200 3951.1891 20476.8514 14441.1732 236.0134 -203663.1917 2415.9370 0.0000 0.0000 52166.8836 -109975.1440 299.8038 -162142.0276 -109591.1093 298.2032 -35.9300 -4.3063 760091.6009 4.8827 4.8461 PRESSURE: 1345400 -102.652 -21.2707 197.076 -21.2711 3.26719 -12.6232 197.077 -12.6229 -9.39536 GPRESSURE: 1345400 4.84862 -138.974 225.754 119.468 -47.3173 -54.8064 135.131 26.0526 2.61385 PRESSAVG: 1345400 -24.5311 -31.5272 16.3138 -31.5272 29.3716 5.68588 16.3138 5.68584 6.84028 GPRESSAVG: 1345400 -23.6986 -32.6724 16.1223 -31.8021 28.5857 5.03795 16.9244 6.43999 6.68531 TIMING: 1345400 CPU: 4321.15, 0.00313215/step Wall: 4321.15, 0.00313215/step, 3.17966 hours remaining, 231.511719 MB of memory in use. ENERGY: 1345400 3940.3138 20616.3277 14405.0198 249.4406 -203580.9333 2272.1457 0.0000 0.0000 52088.6823 -110009.0034 299.3544 -162097.6857 -109649.3970 298.6101 -36.2602 -13.2850 758692.7958 3.8936 3.8575 PRESSURE: 1345600 43.6819 -82.4467 17.291 -82.4478 -185.207 2.72807 17.2908 2.72898 -246.724 GPRESSURE: 1345600 90.9661 -100.6 80.8928 -181.835 -119.411 109.144 18.0376 -145.933 -282.905 PRESSAVG: 1345600 64.3269 -30.4521 5.15051 -30.4521 -5.21031 17.1704 5.15057 17.1703 4.13377 GPRESSAVG: 1345600 63.2346 -30.2974 4.05476 -30.9431 -4.99173 17.549 5.13031 15.1701 4.50768 TIMING: 1345600 CPU: 4321.78, 0.00314376/step Wall: 4321.78, 0.00314376/step, 3.19127 hours remaining, 231.511719 MB of memory in use. ENERGY: 1345600 4027.9695 20477.9624 14420.0534 241.2775 -203623.6657 2323.9283 0.0000 0.0000 51964.7728 -110167.7018 298.6423 -162132.4746 -109805.2766 298.1558 -129.4163 -103.7831 758709.8779 21.0834 20.9168 PRESSURE: 1345800 -146.099 15.6297 -44.2568 15.6295 84.5686 118.619 -44.2573 118.619 -189.996 GPRESSURE: 1345800 -82.4726 7.61958 -72.024 70.7802 47.5151 106.678 -64.8803 22.4067 -131.118 PRESSAVG: 1345800 27.6397 17.1168 -25.8726 17.1168 -20.7133 -5.4253 -25.8727 -5.42525 -12.1906 GPRESSAVG: 1345800 27.609 18.204 -24.6993 17.229 -19.3126 -5.36332 -26.3114 -4.03755 -13.4364 TIMING: 1345800 CPU: 4322.41, 0.00314382/step Wall: 4322.41, 0.00314382/step, 3.19116 hours remaining, 231.511719 MB of memory in use. ENERGY: 1345800 4055.6707 20590.2232 14423.9955 248.2075 -203715.9426 2501.7959 0.0000 0.0000 51773.7800 -110122.2699 297.5446 -161896.0499 -109761.4995 298.4716 -83.8420 -55.3584 759407.8883 -1.7547 -1.7133 PRESSURE: 1346000 -35.6709 -9.44483 87.5057 -9.44409 146.512 143.522 87.5063 143.521 -12.0064 GPRESSURE: 1346000 86.0241 39.8472 154.123 -24.9591 125.024 162.576 181.414 166.276 -33.6013 PRESSAVG: 1346000 -16.6073 23.2483 51.6811 23.2483 -11.6085 4.67251 51.6812 4.67252 3.7594 GPRESSAVG: 1346000 -16.7097 23.8678 51.7634 21.8541 -11.8062 3.96846 50.978 3.16184 3.94686 TIMING: 1346000 CPU: 4323.04, 0.0031619/step Wall: 4323.04, 0.0031619/step, 3.20933 hours remaining, 231.511719 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: 1346000 4008.1866 20608.1784 14486.9487 232.0210 -203755.7166 2538.0479 0.0000 0.0000 51708.6025 -110173.7315 297.1700 -161882.3340 -109814.6168 297.8084 32.9448 59.1489 759301.2981 -8.1521 -8.1897 PRESSURE: 1346200 -209.441 52.6092 -123.823 52.609 -315.223 -39.3468 -123.823 -39.3477 -420.975 GPRESSURE: 1346200 -209.544 -38.8207 -95.6587 4.8041 -295.455 -71.3307 63.025 77.1801 -372.295 PRESSAVG: 1346200 65.6347 -10.2427 31.5688 -10.2428 1.93023 36.6511 31.5688 36.6511 3.65533 GPRESSAVG: 1346200 66.8846 -12.6856 31.1417 -7.89998 1.20326 38.5593 33.441 37.5847 3.44678 TIMING: 1346200 CPU: 4323.68, 0.00316744/step Wall: 4323.68, 0.00316744/step, 3.21478 hours remaining, 231.511719 MB of memory in use. ENERGY: 1346200 4051.5335 20658.2971 14430.0309 252.5250 -203553.4403 2487.9497 0.0000 0.0000 51710.8414 -109962.2628 297.1829 -161673.1041 -109593.1686 298.2371 -315.2130 -292.4311 760823.0962 23.7401 23.8449 PRESSURE: 1346400 195.255 29.9479 160.471 29.9479 19.9236 -68.7153 160.47 -68.7152 -119.75 GPRESSURE: 1346400 114.767 58.1247 135.28 52.2851 158.101 -110.089 188.005 9.2234 -118.838 PRESSAVG: 1346400 33.1433 -24.066 -10.6267 -24.066 -19.3512 20.4309 -10.6266 20.4309 -16.5552 GPRESSAVG: 1346400 31.8218 -24.5951 -10.8989 -25.3112 -17.3197 20.7169 -9.89937 18.0912 -16.9848 TIMING: 1346400 CPU: 4324.31, 0.00316054/step Wall: 4324.31, 0.00316054/step, 3.2076 hours remaining, 231.511719 MB of memory in use. ENERGY: 1346400 3969.2507 20724.0222 14450.0310 253.9641 -203645.6164 2506.7519 0.0000 0.0000 51908.8204 -109832.7762 298.3207 -161741.5966 -109461.9539 298.8358 31.8094 51.3433 761415.3469 -0.9210 -0.8276 PRESSURE: 1346600 -6.22539 -277.58 -22.4464 -277.58 -43.7696 -63.7575 -22.4477 -63.7576 389.618 GPRESSURE: 1346600 44.0245 -300 -17.6855 -161.476 53.7807 -94.4166 -38.0602 7.5213 348.446 PRESSAVG: 1346600 -2.50286 -31.0317 29.0046 -31.0318 3.70943 -48.9628 29.0046 -48.9628 -10.9053 GPRESSAVG: 1346600 -2.05587 -30.0005 29.1356 -29.8219 2.43911 -51.7812 27.3915 -46.4875 -10.303 TIMING: 1346600 CPU: 4324.94, 0.00317321/step Wall: 4324.94, 0.00317321/step, 3.22028 hours remaining, 231.511719 MB of memory in use. ENERGY: 1346600 4025.8902 20477.3279 14459.3684 269.0434 -203826.9179 2745.1033 0.0000 0.0000 51975.4196 -109874.7650 298.7035 -161850.1846 -109521.0750 298.6216 113.2077 148.7504 758311.7532 -3.2329 -3.3066 PRESSURE: 1346800 55.8942 -73.8208 96.414 -73.8206 -97.4643 46.6631 96.4135 46.6615 -271.582 GPRESSURE: 1346800 108.782 -54.1632 139.168 -94.1284 -120.126 122.911 133.816 -59.4518 -205.585 PRESSAVG: 1346800 9.94627 -37.0406 -5.56721 -37.0406 14.5011 21.1243 -5.56725 21.1242 15.0033 GPRESSAVG: 1346800 8.73379 -36.717 -6.29164 -38.3843 15.6716 22.8723 -6.05776 20.2251 15.5695 TIMING: 1346800 CPU: 4325.58, 0.00316535/step Wall: 4325.58, 0.00316535/step, 3.21213 hours remaining, 231.511719 MB of memory in use. ENERGY: 1346800 3992.5947 20587.5376 14459.6312 266.2542 -203749.9763 2585.2774 0.0000 0.0000 51964.9869 -109893.6943 298.6435 -161858.6812 -109530.6547 299.0310 -104.3839 -72.3096 761958.3955 13.1502 13.3250 PRESSURE: 1347000 172.232 -148.312 -135.904 -148.311 -116.892 -87.0599 -135.904 -87.0602 26.8698 GPRESSURE: 1347000 335.668 -67.6597 -84.1275 -59.8924 -166.661 -108.867 -109.63 -179.339 25.2243 PRESSAVG: 1347000 35.5758 -45.7312 -13.4209 -45.7312 -53.2164 -55.5042 -13.4209 -55.5042 15.0361 GPRESSAVG: 1347000 36.5986 -44.5361 -13.5205 -47.3024 -55.0463 -56.2408 -13.0874 -54.2686 15.8054 TIMING: 1347000 CPU: 4326.21, 0.00315119/step Wall: 4326.21, 0.00315119/step, 3.19758 hours remaining, 231.511719 MB of memory in use. ENERGY: 1347000 3978.6193 20468.2450 14514.1849 260.0099 -203297.5966 2166.6173 0.0000 0.0000 51914.0543 -109995.8660 298.3508 -161909.9203 -109621.2781 298.5188 27.4031 64.7439 758987.0333 -0.8682 -0.8808 PRESSURE: 1347200 155.47 53.7851 -81.0358 53.7845 493.758 28.6479 -81.0359 28.6485 30.5813 GPRESSURE: 1347200 182.859 0.283601 -49.2402 20.2718 448.671 9.67924 -8.74882 -61.5128 142.013 PRESSAVG: 1347200 -2.05601 -62.2103 6.20278 -62.2103 -26.0371 -2.92572 6.20276 -2.92569 5.28164 GPRESSAVG: 1347200 -3.8572 -64.4473 7.52281 -59.3399 -23.1101 -3.47306 4.61483 -5.00883 3.56358 TIMING: 1347200 CPU: 4326.84, 0.00316346/step Wall: 4326.84, 0.00316346/step, 3.20985 hours remaining, 231.511719 MB of memory in use. ENERGY: 1347200 4059.2359 20695.9929 14518.8107 248.9282 -203866.1668 2748.5786 0.0000 0.0000 52019.4211 -109575.1994 298.9563 -161594.6205 -109222.4441 298.8861 226.6030 257.8476 759249.4240 -7.6038 -7.8012 PRESSURE: 1347400 -285.547 -178.031 78.9993 -178.031 -217.381 54.0737 78.9982 54.0736 -109.794 GPRESSURE: 1347400 -190.044 -234.464 113.359 -150.426 -260.076 90.2605 150.941 156.854 -82.2145 PRESSAVG: 1347400 30.259 -57.2367 40.4165 -57.2366 -20.6766 4.42922 40.4165 4.42928 -16.7556 GPRESSAVG: 1347400 31.7412 -55.645 41.0251 -59.2081 -22.6446 4.82509 41.2602 4.7252 -15.9271 TIMING: 1347400 CPU: 4327.47, 0.0031563/step Wall: 4327.47, 0.0031563/step, 3.20242 hours remaining, 231.511719 MB of memory in use. ENERGY: 1347400 4023.4398 20356.0992 14525.7600 252.4643 -203784.3721 2697.5490 0.0000 0.0000 52168.4637 -109760.5961 299.8129 -161929.0598 -109396.4469 299.7200 -204.2408 -177.4448 762507.1187 -2.3911 -2.2768 PRESSURE: 1347600 311.726 -21.8176 105.353 -21.8175 -195.324 41.841 105.353 41.84 71.8474 GPRESSURE: 1347600 247.582 -12.8591 145.946 24.3193 -151.462 19.6618 150.517 47.2352 158.394 PRESSAVG: 1347600 25.309 -58.3622 48.2687 -58.3622 -14.3604 9.05035 48.2687 9.05031 19.2262 GPRESSAVG: 1347600 25.5252 -61.013 47.4118 -55.5833 -14.5902 9.94298 48.739 9.50622 19.1501 TIMING: 1347600 CPU: 4328.1, 0.00315611/step Wall: 4328.1, 0.00315611/step, 3.20205 hours remaining, 231.511719 MB of memory in use. ENERGY: 1347600 3958.5577 20559.9517 14474.3568 251.2680 -203501.6375 2508.3704 0.0000 0.0000 51940.4762 -109808.6567 298.5026 -161749.1330 -109445.0001 299.1327 62.7496 84.8382 762471.7710 10.0583 10.0284 PRESSURE: 1347800 -265.58 118.212 69.8972 118.211 -248.382 201.019 69.8968 201.02 68.2148 GPRESSURE: 1347800 -221.455 -129.84 -1.46866 88.9865 -174.076 118.458 114.672 43.6681 28.0766 PRESSAVG: 1347800 55.6327 -12.6925 7.15659 -12.6925 -16.7816 35.8553 7.15661 35.8553 -14.9011 GPRESSAVG: 1347800 55.1905 -10.803 8.42008 -15.9981 -15.5665 35.9931 7.01655 36.2841 -16.0576 TIMING: 1347800 CPU: 4328.73, 0.0031531/step Wall: 4328.73, 0.0031531/step, 3.19882 hours remaining, 231.511719 MB of memory in use. ENERGY: 1347800 4030.7359 20511.4082 14554.6313 256.8208 -203931.9241 2369.9672 0.0000 0.0000 52169.2388 -110039.1219 299.8173 -162208.3607 -109679.1673 298.5491 -148.5823 -122.4847 759996.5379 7.9833 7.8554 PRESSURE: 1348000 -32.9658 -153.339 -1.69927 -153.34 -48.8694 113.848 -1.69972 113.847 -158.194 GPRESSURE: 1348000 -74.7869 -42.6834 -19.1791 -253.937 49.0232 122.886 -128.027 132.605 -146.076 PRESSAVG: 1348000 55.1804 -41.995 64.8189 -41.995 -16.8182 7.34631 64.8189 7.34632 8.35512 GPRESSAVG: 1348000 56.7461 -41.9697 63.3839 -40.2267 -17.5833 6.36632 65.121 7.1839 8.15423 TIMING: 1348000 CPU: 4329.36, 0.0031607/step Wall: 4329.36, 0.0031607/step, 3.20636 hours remaining, 231.511719 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: 1348000 4011.6069 20691.7226 14482.9622 261.5517 -204068.8949 2773.4891 0.0000 0.0000 51751.7386 -110095.8237 297.4180 -161847.5624 -109737.1034 298.2892 -80.0096 -57.2798 759594.8205 15.5725 15.7723 PRESSURE: 1348200 -85.8838 -4.34436 285.184 -4.34379 -27.0434 189.22 285.183 189.219 -298.944 GPRESSURE: 1348200 -104.422 -39.5002 310.09 -8.93244 31.4252 94.529 201.641 277.911 -274.672 PRESSAVG: 1348200 11.0927 -14.9819 17.8523 -14.9818 -4.74932 -3.40247 17.8523 -3.4025 -9.5085 GPRESSAVG: 1348200 8.49334 -16.1893 18.6275 -13.7091 -2.82934 -3.70048 14.8759 -1.62136 -8.62907 TIMING: 1348200 CPU: 4329.99, 0.00315089/step Wall: 4329.99, 0.00315089/step, 3.19623 hours remaining, 231.511719 MB of memory in use. ENERGY: 1348200 3951.6346 20610.9161 14447.7796 240.0369 -203859.1702 2703.8391 0.0000 0.0000 51944.0550 -109960.9088 298.5232 -161904.9638 -109602.3390 297.8975 -137.2904 -115.8898 759355.4256 -1.0550 -0.9884 LDB: ============= START OF LOAD BALANCING ============== 4342.42 LDB: ============== END OF LOAD BALANCING =============== 4342.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4342.42 LDB: ============= START OF LOAD BALANCING ============== 4342.74 LDB: Largest compute 7034 load 0.034519 is 17.7% of average load 0.195284 LDB: Average compute 0.004424 is 2.3% of average load 0.195284 LDB: TIME 4342.74 LOAD: AVG 0.195284 MAX 0.212359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.625 MB LDB: TIME 4342.74 LOAD: AVG 0.195284 MAX 0.212359 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: TIME 4342.74 LOAD: AVG 0.195284 MAX 0.212359 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: ============== END OF LOAD BALANCING =============== 4342.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4342.75 PRESSURE: 1348400 -197.261 151.267 24.1909 151.266 -148.699 -32.0227 24.191 -32.0227 -76.6831 GPRESSURE: 1348400 -87.2678 94.3157 109.383 169.686 -240.494 -55.7243 54.9585 -56.1362 -0.383913 PRESSAVG: 1348400 -28.5924 -8.79994 10.2571 -8.79998 -25.6823 -16.323 10.257 -16.323 -1.69999 GPRESSAVG: 1348400 -27.611 -5.77528 9.24742 -11.9945 -27.7451 -15.1302 13.9988 -17.4558 -0.807267 TIMING: 1348400 CPU: 4330.64, 0.00324582/step Wall: 4330.64, 0.00324582/step, 3.29234 hours remaining, 230.800781 MB of memory in use. ENERGY: 1348400 3978.7884 20395.0319 14443.4209 244.6435 -203680.4052 2546.2924 0.0000 0.0000 51926.2472 -110145.9809 298.4209 -162072.2281 -109781.4801 298.2110 -140.8812 -109.3821 759302.9380 -18.6582 -18.7211 PRESSURE: 1348600 -228.198 -19.652 -225.145 -19.652 81.5053 -123.288 -225.145 -123.288 100.547 GPRESSURE: 1348600 -185.377 107.949 -262.953 -22.6671 47.5195 -33.8996 -96.9021 -260.154 162.914 PRESSAVG: 1348600 42.4712 -22.5306 -9.00985 -22.5306 -41.1858 -9.04802 -9.00981 -9.04805 -15.5389 GPRESSAVG: 1348600 42.978 -23.7983 -9.17458 -21.0211 -39.5669 -10.2054 -10.8708 -9.2958 -17.4987 TIMING: 1348600 CPU: 4331.28, 0.00318158/step Wall: 4331.28, 0.00318158/step, 3.22701 hours remaining, 230.800781 MB of memory in use. ENERGY: 1348600 3935.8342 20441.4029 14448.8708 247.4752 -203197.2399 2238.0549 0.0000 0.0000 51617.8460 -110267.7558 296.6485 -161885.6018 -109900.8619 297.5293 -15.3819 8.3521 762932.7713 -4.7512 -4.6958 PRESSURE: 1348800 -259.05 -57.0988 300.822 -57.0988 -231.159 -139.581 300.822 -139.58 -132.742 GPRESSURE: 1348800 -188.236 46.2213 272.989 10.8247 -263.716 -129.035 218.063 -132.041 -93.8446 PRESSAVG: 1348800 -13.0488 -41.4822 -43.7897 -41.4822 13.3989 -1.38745 -43.7897 -1.38744 -9.60033 GPRESSAVG: 1348800 -13.1196 -40.7435 -44.1228 -41.9242 11.9423 -0.00715752 -42.9957 -2.5096 -8.16578 TIMING: 1348800 CPU: 4331.92, 0.0031819/step Wall: 4331.92, 0.0031819/step, 3.22715 hours remaining, 231.058594 MB of memory in use. ENERGY: 1348800 3944.5034 20463.5904 14425.4578 250.1021 -203731.5446 2593.5178 0.0000 0.0000 51892.3840 -110161.9892 298.2262 -162054.3732 -109789.6983 297.6075 -207.6503 -181.9322 762716.3067 -3.0834 -3.1143 PRESSURE: 1349000 -554.183 -59.4699 163.035 -59.4697 -313.399 108.327 163.035 108.327 28.5465 GPRESSURE: 1349000 -456.54 -60.3254 213.856 0.513208 -255.408 -24.4695 27.4391 136.428 -30.4389 PRESSAVG: 1349000 26.4239 38.558 53.0595 38.558 -34.1867 31.5758 53.0595 31.5758 12.5752 GPRESSAVG: 1349000 25.5249 37.8761 53.0059 37.9883 -33.826 31.178 52.4165 33.1284 12.7509 TIMING: 1349000 CPU: 4332.55, 0.0031539/step Wall: 4332.55, 0.0031539/step, 3.19858 hours remaining, 231.058594 MB of memory in use. ENERGY: 1349000 3980.0012 20443.0039 14453.8575 264.4914 -203583.0179 2405.5850 0.0000 0.0000 52191.8726 -109844.2063 299.9474 -162036.0789 -109486.0861 298.8163 -279.6785 -247.4624 763850.5119 1.6042 1.4833 PRESSURE: 1349200 -37.4367 169.305 8.44651 169.305 -99.3849 -226.922 8.44676 -226.921 -418.492 GPRESSURE: 1349200 -33.0725 76.0859 42.2763 113.352 -72.9338 -234.144 -41.218 -205.176 -368.268 PRESSAVG: 1349200 60.6719 16.0943 8.663 16.0943 -13.8458 30.2073 8.66298 30.2073 -3.69251 GPRESSAVG: 1349200 61.4164 15.4735 9.72717 18.0995 -13.2604 29.4881 10.7819 28.4231 -4.75541 TIMING: 1349200 CPU: 4333.18, 0.0031642/step Wall: 4333.18, 0.0031642/step, 3.20885 hours remaining, 231.058594 MB of memory in use. ENERGY: 1349200 4019.5140 20481.8277 14459.5964 247.4114 -203671.8234 2520.3775 0.0000 0.0000 52131.5882 -109811.5082 299.6010 -161943.0964 -109446.2007 298.8049 -185.1046 -158.0913 760436.6104 14.3779 14.4669 PRESSURE: 1349400 377.898 -110.747 71.1369 -110.746 64.8198 167.709 71.1368 167.71 813.521 GPRESSURE: 1349400 399.209 -3.22915 120.369 -220.839 116.711 202.805 -11.3794 156.508 834.837 PRESSAVG: 1349400 53.5204 25.5611 75.5975 25.5611 -33.8978 60.3477 75.5975 60.3478 -3.12799 GPRESSAVG: 1349400 53.2672 25.196 75.9175 24.5842 -34.9564 61.8481 73.0753 59.8405 -1.47276 TIMING: 1349400 CPU: 4333.81, 0.00316502/step Wall: 4333.81, 0.00316502/step, 3.2095 hours remaining, 231.058594 MB of memory in use. ENERGY: 1349400 3983.2563 20253.9502 14395.4696 259.2554 -203560.5659 2835.1902 0.0000 0.0000 51864.4499 -109968.9943 298.0657 -161833.4442 -109601.2372 297.9061 418.7463 450.2523 761438.7153 5.4982 5.6127 PRESSURE: 1349600 -130.777 147.478 -158.583 147.477 -149.32 -94.3693 -158.583 -94.369 -371.483 GPRESSURE: 1349600 -142.946 80.5018 -214.65 77.5982 -64.8372 -193.606 -62.0037 -49.7168 -348.978 PRESSAVG: 1349600 51.6614 -42.8466 90.0031 -42.8467 -27.6478 22.9327 90.0031 22.9327 17.0945 GPRESSAVG: 1349600 51.7778 -42.9992 89.5196 -43.8014 -27.0459 21.8882 89.0576 23.3337 15.8175 TIMING: 1349600 CPU: 4334.44, 0.00316227/step Wall: 4334.44, 0.00316227/step, 3.20655 hours remaining, 231.058594 MB of memory in use. ENERGY: 1349600 3905.5264 20491.0161 14438.2248 255.1334 -203245.0702 2487.4785 0.0000 0.0000 51699.7075 -109967.9835 297.1189 -161667.6910 -109608.4264 297.9478 -217.1932 -185.5868 762076.5259 13.7027 13.5165 PRESSURE: 1349800 -15.0133 -46.5943 185.108 -46.595 187.209 -38.0949 185.109 -38.0954 241.376 GPRESSURE: 1349800 43.2192 -164.553 106.216 -39.1691 173.652 -108.482 265.855 -47.2429 274.678 PRESSAVG: 1349800 3.06039 20.3005 10.9698 20.3006 10.519 13.8155 10.9698 13.8154 13.5234 GPRESSAVG: 1349800 3.57767 18.0804 12.0365 23.1574 10.7055 13.802 12.9783 13.3963 13.2273 TIMING: 1349800 CPU: 4335.08, 0.00316743/step Wall: 4335.08, 0.00316743/step, 3.2116 hours remaining, 231.058594 MB of memory in use. ENERGY: 1349800 3990.5274 20394.9992 14374.1491 263.2668 -203107.1519 2543.6644 0.0000 0.0000 51882.4671 -109658.0780 298.1693 -161540.5451 -109300.7400 298.4908 137.8573 163.8497 760430.7022 9.0343 9.1701 PRESSURE: 1350000 -415.593 -135.407 299.251 -135.408 -310.364 103.18 299.251 103.18 -22.625 GPRESSURE: 1350000 -351.502 -20.1581 232.405 -51.5907 -277.031 166.03 225.073 72.1217 -11.255 PRESSAVG: 1350000 -38.2887 -14.7083 -19.7992 -14.7082 6.99031 36.758 -19.7992 36.758 -1.4544 GPRESSAVG: 1350000 -39.7457 -11.1134 -21.0527 -18.4136 7.51158 37.876 -20.4946 37.3917 -0.36686 TIMING: 1350000 CPU: 4335.71, 0.00314811/step Wall: 4335.71, 0.00314811/step, 3.19183 hours remaining, 231.058594 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: 1350000 3924.2384 20474.6322 14489.0594 259.8646 -202923.7122 2176.7400 0.0000 0.0000 51981.7943 -109617.3834 298.7401 -161599.1776 -109251.3881 298.6430 -249.5274 -213.2625 762433.1937 -10.9176 -10.8670 PRESSURE: 1350200 396.198 15.1096 65.3095 15.1104 232.566 77.7659 65.3097 77.7656 198.009 GPRESSURE: 1350200 451.092 113.324 68.18 103.204 298.282 107.413 142.686 -66.8205 159.448 PRESSAVG: 1350200 37.1113 14.026 9.08357 14.0261 -59.0561 -21.3611 9.08359 -21.3611 -0.361705 GPRESSAVG: 1350200 38.8149 13.8373 11.2226 16.8004 -60.3453 -22.0108 10.1669 -21.697 -1.19308 TIMING: 1350200 CPU: 4336.34, 0.00314661/step Wall: 4336.34, 0.00314661/step, 3.19014 hours remaining, 231.058594 MB of memory in use. ENERGY: 1350200 3887.8852 20521.7222 14365.9127 237.9322 -203403.7171 2697.1898 0.0000 0.0000 52158.0786 -109534.9964 299.7532 -161693.0750 -109165.9903 298.9313 275.5909 302.9406 761777.9972 -7.4355 -7.5745 PRESSURE: 1350400 -65.6396 -16.3455 35.2609 -16.3465 -431.808 95.6704 35.2599 95.6701 -213.134 GPRESSURE: 1350400 -146.911 -104.826 22.7816 -32.525 -269.535 99.2573 -25.2613 58.9987 -198.015 PRESSAVG: 1350400 22.0298 21.9582 -11.811 21.9583 -16.5166 -29.9675 -11.811 -29.9675 -11.2587 GPRESSAVG: 1350400 19.9427 18.8327 -14.4427 21.5308 -15.0772 -28.3886 -14.0808 -30.2689 -10.628 TIMING: 1350400 CPU: 4336.97, 0.00315336/step Wall: 4336.97, 0.00315336/step, 3.19681 hours remaining, 231.058594 MB of memory in use. ENERGY: 1350400 4037.2158 20476.1715 14478.3228 240.4037 -203154.3789 2280.9952 0.0000 0.0000 52091.4892 -109549.7806 299.3705 -161641.2698 -109182.0204 299.4633 -236.8604 -204.8204 760363.3830 -1.9152 -1.9208 PRESSURE: 1350600 -107.014 246.3 -30.4508 246.3 -87.4792 -315.033 -30.4501 -315.034 -240.283 GPRESSURE: 1350600 -33.0938 231.88 9.95151 245.8 -22.2822 -235.937 -18.6134 -259.839 -308.688 PRESSAVG: 1350600 65.4558 21.7847 18.3857 21.7847 -44.01 21.39 18.3857 21.39 17.3026 GPRESSAVG: 1350600 65.3923 22.1601 20.0047 22.0292 -43.6629 19.6657 18.8678 22.8035 16.6498 TIMING: 1350600 CPU: 4337.6, 0.00316553/step Wall: 4337.6, 0.00316553/step, 3.20897 hours remaining, 231.058594 MB of memory in use. ENERGY: 1350600 3955.3262 20662.4822 14425.1659 235.7492 -203060.5385 2435.6923 0.0000 0.0000 51976.4633 -109369.6596 298.7094 -161346.1228 -109007.4225 298.8535 -144.9254 -121.3547 762614.6569 12.9162 12.7931 PRESSURE: 1350800 39.9674 54.3716 40.5999 54.3719 -62.9987 116.152 40.6001 116.152 599.65 GPRESSURE: 1350800 31.7502 -13.9491 39.5019 -77.6675 -16.9204 138.618 -11.0653 220.915 642.934 PRESSAVG: 1350800 -15.7651 10.319 35.6703 10.319 13.5317 -70.3617 35.6704 -70.3619 -6.39539 GPRESSAVG: 1350800 -15.3667 11.7857 36.2689 9.49416 12.6696 -71.5562 34.9104 -69.6421 -6.24185 TIMING: 1350800 CPU: 4338.23, 0.00316951/step Wall: 4338.23, 0.00316951/step, 3.21283 hours remaining, 231.058594 MB of memory in use. ENERGY: 1350800 4011.9060 20539.3142 14454.2021 244.1055 -202975.1071 2366.7619 0.0000 0.0000 51921.9037 -109436.9138 298.3959 -161358.8174 -109077.3346 299.1510 192.2064 219.2547 761952.1763 -2.8763 -2.9797 PRESSURE: 1351000 188.155 155.602 -164.152 155.602 341.388 191.612 -164.153 191.612 193.212 GPRESSURE: 1351000 281.544 -4.36299 -142.713 191.414 310.611 191.872 -73.3805 218.282 198.154 PRESSAVG: 1351000 14.7046 -2.12106 -0.378653 -2.12107 18.2914 -35.1022 -0.378651 -35.1021 7.13474 GPRESSAVG: 1351000 14.7082 -3.51689 -1.3464 0.350683 17.8188 -33.0519 3.94968 -36.12 7.61441 TIMING: 1351000 CPU: 4338.86, 0.00315228/step Wall: 4338.86, 0.00315228/step, 3.19519 hours remaining, 231.058594 MB of memory in use. ENERGY: 1351000 3934.6070 20652.1990 14433.9531 238.6713 -203467.3072 2571.0400 0.0000 0.0000 52363.9868 -109272.8499 300.9366 -161636.8368 -108903.9311 299.8057 240.9184 263.4362 760946.0943 13.3769 13.3805 PRESSURE: 1351200 39.5894 26.0959 -17.786 26.0956 30.5219 -100.264 -17.7861 -100.264 122.769 GPRESSURE: 1351200 66.4289 80.6915 11.7577 9.27079 -22.5919 -69.9848 -21.0605 -97.3963 225.585 PRESSAVG: 1351200 52.9395 -2.37869 -44.4196 -2.37872 -29.9158 -10.0078 -44.4196 -10.0078 0.258183 GPRESSAVG: 1351200 53.2555 0.646486 -44.0364 -2.55236 -30.4357 -11.8874 -46.9882 -11.4747 0.524379 TIMING: 1351200 CPU: 4339.5, 0.00315125/step Wall: 4339.5, 0.00315125/step, 3.19397 hours remaining, 231.058594 MB of memory in use. ENERGY: 1351200 3964.9325 20477.1991 14473.2128 249.2854 -202971.5869 2163.1137 0.0000 0.0000 52316.4185 -109327.4250 300.6632 -161643.8434 -108961.7034 299.2867 64.2934 89.8074 761171.7547 7.7606 7.7814 PRESSURE: 1351400 -7.55146 32.9506 97.7796 32.9495 -180.976 -12.2614 97.7785 -12.2622 -665.724 GPRESSURE: 1351400 -45.3173 22.8893 64.2796 -92.6124 -165.315 63.7617 208.702 57.3526 -559.216 PRESSAVG: 1351400 35.0205 -21.8696 19.539 -21.8696 -34.9905 32.4242 19.539 32.4242 -17.1123 GPRESSAVG: 1351400 34.8986 -25.4391 17.8488 -21.6313 -34.6526 34.3329 19.8922 32.3798 -17.0947 TIMING: 1351400 CPU: 4340.13, 0.0031525/step Wall: 4340.13, 0.0031525/step, 3.19506 hours remaining, 231.058594 MB of memory in use. ENERGY: 1351400 3982.0680 20683.2259 14521.7615 240.3775 -202924.7877 2306.8286 0.0000 0.0000 52070.4252 -109120.1010 299.2494 -161190.5262 -108764.9028 299.6523 -284.7504 -256.6160 761027.7361 -5.6941 -5.6162 PRESSURE: 1351600 -421.367 119.637 44.0258 119.637 -91.7113 44.7491 44.0258 44.7495 -294.22 GPRESSURE: 1351600 -440.426 38.7971 52.4761 190.732 7.26699 -10.5858 -16.6627 59.9747 -273.377 PRESSAVG: 1351600 -25.3937 3.87315 14.9417 3.87313 22.8175 57.3462 14.9417 57.3462 15.1131 GPRESSAVG: 1351600 -25.8636 7.43636 17.3202 3.32633 24.1387 57.5245 13.0764 57.2998 14.5864 TIMING: 1351600 CPU: 4340.75, 0.00314111/step Wall: 4340.75, 0.00314111/step, 3.18334 hours remaining, 231.058594 MB of memory in use. ENERGY: 1351600 4009.2425 20428.1418 14558.1073 250.5471 -202786.3397 2306.5584 0.0000 0.0000 52131.4575 -109102.2851 299.6002 -161233.7427 -108751.3133 300.1458 -269.0994 -235.5119 763453.5650 4.1789 4.2871 PRESSURE: 1351800 -17.3559 -14.0718 -102.173 -14.0719 -214.33 -243.786 -102.173 -243.787 -70.2796 GPRESSURE: 1351800 82.3327 -111.762 -147.582 61.7259 -159.992 -299.526 -185.567 -157.822 -125.475 PRESSAVG: 1351800 -10.8075 14.3945 -9.48795 14.3945 -9.80056 30.7296 -9.48789 30.7295 -3.77271 GPRESSAVG: 1351800 -9.69322 13.5005 -12.2296 13.24 -10.0801 29.6827 -8.71937 31.17 -3.6845 TIMING: 1351800 CPU: 4341.38, 0.00315431/step Wall: 4341.38, 0.00315431/step, 3.19655 hours remaining, 231.058594 MB of memory in use. ENERGY: 1351800 3960.8275 20742.5259 14479.1145 237.9431 -203066.3854 2403.4784 0.0000 0.0000 52170.6173 -109071.8787 299.8253 -161242.4960 -108711.8039 300.0435 -100.6551 -67.7114 760688.2253 -8.1269 -7.8193 PRESSURE: 1352000 -158.785 -299.162 100.68 -299.163 -327.616 3.02515 100.68 3.02491 -409.767 GPRESSURE: 1352000 -86.929 -319.116 67.8895 -240.393 -320.622 29.7131 195.277 -79.1611 -404.097 PRESSAVG: 1352000 44.7362 -75.14 -32.0168 -75.14 -50.0045 3.61791 -32.0168 3.61791 10.3416 GPRESSAVG: 1352000 43.2376 -74.4357 -30.8646 -74.377 -48.9652 3.70824 -33.6914 2.20257 9.84514 TIMING: 1352000 CPU: 4342.01, 0.00314738/step Wall: 4342.01, 0.00314738/step, 3.18935 hours remaining, 231.058594 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: 1352000 4047.4470 20325.5813 14543.7577 260.0595 -203173.4399 2704.6420 0.0000 0.0000 51986.8943 -109305.0581 298.7694 -161291.9524 -108935.0001 300.0615 -298.7224 -270.5494 762559.6468 1.6911 1.3725 PRESSURE: 1352200 230.542 114.43 -59.3436 114.43 -50.7853 94.9977 -59.3433 94.9978 -306.763 GPRESSURE: 1352200 245.015 61.5015 -111.852 10.214 -21.7586 162.534 35.8339 161.958 -270.357 PRESSAVG: 1352200 80.7436 -66.7747 -20.79 -66.7747 -88.133 18.8717 -20.7901 18.8717 5.49879 GPRESSAVG: 1352200 81.7403 -66.0303 -19.7174 -68.381 -90.1028 19.2618 -17.338 21.2253 6.86961 TIMING: 1352200 CPU: 4342.65, 0.00315961/step Wall: 4342.65, 0.00315961/step, 3.20156 hours remaining, 231.058594 MB of memory in use. ENERGY: 1352200 3980.7491 20553.4568 14386.1604 237.8931 -203194.1899 2454.4326 0.0000 0.0000 52157.2895 -109424.2084 299.7487 -161581.4979 -109072.5931 299.6238 -42.3356 -15.7000 761806.1608 -0.6302 -0.4976 LDB: ============= START OF LOAD BALANCING ============== 4355.07 LDB: ============== END OF LOAD BALANCING =============== 4355.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4355.07 LDB: ============= START OF LOAD BALANCING ============== 4355.39 LDB: Largest compute 7037 load 0.033089 is 16.9% of average load 0.195248 LDB: Average compute 0.004407 is 2.3% of average load 0.195248 LDB: TIME 4355.39 LOAD: AVG 0.195248 MAX 0.21242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4355.39 LOAD: AVG 0.195248 MAX 0.21242 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: TIME 4355.39 LOAD: AVG 0.195248 MAX 0.21242 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: ============== END OF LOAD BALANCING =============== 4355.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4355.4 PRESSURE: 1352400 150.807 -15.8984 -181.142 -15.8995 -24.9552 -75.9661 -181.142 -75.9661 581.789 GPRESSURE: 1352400 144.205 26.0973 -161.335 -17.9366 82.2223 -29.6226 -169.088 -29.2277 574.255 PRESSAVG: 1352400 73.7871 -49.675 0.362945 -49.675 -92.0176 -0.971202 0.362914 -0.971213 -16.8354 GPRESSAVG: 1352400 73.4947 -48.6769 -1.64336 -49.1155 -90.5839 -1.81591 1.34544 -2.36885 -17.553 TIMING: 1352400 CPU: 4343.29, 0.00322284/step Wall: 4343.29, 0.00322284/step, 3.26546 hours remaining, 233.679688 MB of memory in use. ENERGY: 1352400 4048.3141 20391.4302 14546.9538 242.9445 -203309.1247 2462.9605 0.0000 0.0000 52223.4928 -109393.0289 300.1291 -161616.5217 -109028.5392 300.0494 235.8803 266.8941 758660.7950 -11.6886 -11.5474 PRESSURE: 1352600 -132.143 15.0169 -58.0574 15.017 224.138 -59.4724 -58.0567 -59.4728 -17.5611 GPRESSURE: 1352600 6.01115 63.5659 5.28057 2.53187 153.725 -13.4109 -98.9008 -47.7212 6.1252 PRESSAVG: 1352600 12.3459 -4.54015 -29.5892 -4.5401 -33.8383 -40.1146 -29.5892 -40.1146 11.2978 GPRESSAVG: 1352600 13.3337 -6.40438 -28.8575 -5.37512 -34.216 -38.6357 -29.4792 -42.7449 10.9885 TIMING: 1352600 CPU: 4343.92, 0.00314364/step Wall: 4343.92, 0.00314364/step, 3.18503 hours remaining, 233.882812 MB of memory in use. ENERGY: 1352600 3973.4677 20502.1184 14459.9307 253.4214 -203311.9096 2536.3698 0.0000 0.0000 52354.1560 -109232.4456 300.8801 -161586.6016 -108859.3451 300.1501 24.8114 55.2870 759550.3891 -3.3982 -3.2979 PRESSURE: 1352800 -267.415 128.661 237.8 128.66 -602.607 41.8037 237.8 41.8034 111.266 GPRESSURE: 1352800 -199.428 88.0074 193.367 -10.9538 -556.795 48.1934 226.588 4.63648 81.1411 PRESSAVG: 1352800 42.8907 9.31626 -6.88873 9.31627 -21.6663 24.8977 -6.88874 24.8977 -8.29997 GPRESSAVG: 1352800 42.9654 7.43299 -7.35436 12.2278 -21.2879 24.2772 -9.16296 27.1548 -8.14179 TIMING: 1352800 CPU: 4344.55, 0.00313134/step Wall: 4344.55, 0.00313134/step, 3.1724 hours remaining, 233.882812 MB of memory in use. ENERGY: 1352800 4055.1288 20629.7087 14382.8652 238.8404 -202894.9073 2286.6696 0.0000 0.0000 51998.6755 -109303.0191 298.8371 -161301.6946 -108945.9225 300.3285 -252.9188 -225.0274 761792.1064 4.3081 4.5119 PRESSURE: 1353000 -54.6688 -59.0017 -46.5236 -59.0022 56.9644 85.9253 -46.5235 85.925 -43.578 GPRESSURE: 1353000 32.8482 69.3632 -15.8682 -106.531 58.6481 121.628 144.356 141.846 -28.442 PRESSAVG: 1353000 28.6408 -26.5217 23.3667 -26.5218 -47.3788 16.5663 23.3667 16.5663 -14.9455 GPRESSAVG: 1353000 28.4497 -23.8783 23.8564 -27.446 -46.6596 17.2621 22.6482 16.044 -15.038 TIMING: 1353000 CPU: 4345.17, 0.00313014/step Wall: 4345.17, 0.00313013/step, 3.171 hours remaining, 233.882812 MB of memory in use. ENERGY: 1353000 4043.4251 20664.3607 14353.4201 240.0548 -202775.7179 2302.9353 0.0000 0.0000 51842.0538 -109329.4681 297.9370 -161171.5219 -108969.6778 299.8619 -13.7608 21.0181 758935.7889 -11.2279 -11.0826 PRESSURE: 1353200 -43.8135 -43.8544 10.5605 -43.8542 -314.002 123.069 10.5601 123.068 -430.346 GPRESSURE: 1353200 -56.5328 24.0121 56.0196 -32.5324 -184.329 55.3565 -123.189 152.996 -451.16 PRESSAVG: 1353200 81.5636 1.98427 -13.5626 1.98434 -61.4065 2.29854 -13.5626 2.29847 13.9182 GPRESSAVG: 1353200 80.8444 1.34753 -13.4012 2.79275 -62.0227 3.21994 -12.3106 3.14293 15.2826 TIMING: 1353200 CPU: 4345.8, 0.00311978/step Wall: 4345.8, 0.00311978/step, 3.16034 hours remaining, 233.882812 MB of memory in use. ENERGY: 1353200 4018.8242 20450.7754 14464.1719 249.9729 -203385.0775 2595.2041 0.0000 0.0000 52260.3187 -109345.8103 300.3408 -161606.1290 -108973.8268 299.6599 -262.7207 -230.6740 761206.8708 11.3584 11.3681 PRESSURE: 1353400 -34.9413 0.859491 -119.084 0.859263 166.036 -31.4405 -119.084 -31.4403 100.44 GPRESSURE: 1353400 15.7519 32.9877 -94.9161 -2.61769 213.259 60.4678 39.8647 -86.4504 93.1057 PRESSAVG: 1353400 53.5145 1.86476 -30.6479 1.86477 -54.5783 29.3101 -30.648 29.3101 22.9103 GPRESSAVG: 1353400 53.8513 3.39515 -32.6286 0.0110822 -53.7586 29.9189 -28.8126 27.7566 21.7816 TIMING: 1353400 CPU: 4346.42, 0.00313557/step Wall: 4346.42, 0.00313557/step, 3.17616 hours remaining, 233.882812 MB of memory in use. ENERGY: 1353400 4033.6591 20531.1139 14386.3611 241.5172 -203202.1645 2456.4165 0.0000 0.0000 52268.3164 -109284.7802 300.3867 -161553.0966 -108922.9096 299.5730 77.1783 107.3720 759661.3574 7.2821 7.2914 PRESSURE: 1353600 -326.809 -104.285 157.654 -104.284 1.98392 -7.44661 157.655 -7.44733 -40.4684 GPRESSURE: 1353600 -209.73 -9.56484 213.85 -50.264 -38.3708 -77.9336 190.753 -53.7125 -29.1456 PRESSAVG: 1353600 39.3736 -53.8179 -18.509 -53.8179 -3.61907 -9.41893 -18.5089 -9.41894 16.0305 GPRESSAVG: 1353600 38.7343 -55.3016 -16.2796 -53.4459 -3.96732 -11.8203 -20.2241 -10.2062 16.6871 TIMING: 1353600 CPU: 4347.05, 0.00312183/step Wall: 4347.05, 0.00312183/step, 3.16207 hours remaining, 233.882812 MB of memory in use. ENERGY: 1353600 4008.1146 20341.9308 14464.5341 254.9033 -202892.1095 2359.7993 0.0000 0.0000 52026.4788 -109436.3484 298.9969 -161462.8273 -109075.1516 299.7784 -121.7646 -92.4156 760525.4976 17.2617 17.1513 PRESSURE: 1353800 31.0588 -55.67 183.301 -55.6704 -64.5454 171.651 183.3 171.652 -173.98 GPRESSURE: 1353800 50.9817 -84.3613 220.664 -58.0449 60.1771 145.258 81.5025 184.642 -238.723 PRESSAVG: 1353800 39.4187 -58.9475 -16.5202 -58.9476 -78.1401 -22.9662 -16.5202 -22.9662 -16.3155 GPRESSAVG: 1353800 39.7456 -57.848 -17.1998 -59.7021 -79.1173 -23.658 -17.4312 -20.3761 -16.1461 TIMING: 1353800 CPU: 4347.67, 0.00313297/step Wall: 4347.67, 0.00313297/step, 3.17318 hours remaining, 233.882812 MB of memory in use. ENERGY: 1353800 3950.5397 20371.4218 14421.0015 265.2685 -203163.8752 2569.5246 0.0000 0.0000 52155.9175 -109430.2016 299.7408 -161586.1191 -109071.3494 299.0076 -69.1555 -42.5213 760915.7647 -18.3457 -18.5059 PRESSURE: 1354000 -387.934 -261.557 -169.951 -261.558 -494.069 -103.912 -169.952 -103.913 -171.865 GPRESSURE: 1354000 -355.086 -204.931 -118.184 -185.484 -352.411 -137.09 -32.4897 -120.239 -250.48 PRESSAVG: 1354000 61.6204 -46.5909 -9.31578 -46.5908 -66.3736 0.536818 -9.31581 0.536851 -9.22188 GPRESSAVG: 1354000 60.6047 -49.0473 -7.42828 -45.0188 -65.9476 2.68846 -8.79146 -2.28091 -8.56944 TIMING: 1354000 CPU: 4348.3, 0.00314115/step Wall: 4348.3, 0.00314116/step, 3.18129 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1354000 3954.7455 20264.6812 14493.5100 244.9111 -202598.2109 2080.6862 0.0000 0.0000 52128.7273 -109430.9496 299.5845 -161559.6769 -109067.6386 298.9142 -351.2894 -319.3258 761094.1719 -4.6584 -4.6374 PRESSURE: 1354200 31.9609 10.8277 3.15384 10.8276 93.0607 -245.871 3.15369 -245.872 311.243 GPRESSURE: 1354200 63.9824 9.71212 -57.1961 13.4061 132.164 -306.583 41.0517 -140.822 317.501 PRESSAVG: 1354200 29.2937 -84.8208 19.2749 -84.8208 -79.3862 9.14138 19.2749 9.14134 -23.6119 GPRESSAVG: 1354200 30.7169 -80.9116 18.2604 -85.6259 -79.9397 7.36123 19.004 12.6781 -24.2079 TIMING: 1354200 CPU: 4348.93, 0.00314569/step Wall: 4348.93, 0.00314569/step, 3.18571 hours remaining, 233.882812 MB of memory in use. ENERGY: 1354200 3920.6178 20240.8040 14315.7574 226.7917 -203202.6651 2673.2938 0.0000 0.0000 52157.4937 -109667.9068 299.7498 -161825.4005 -109304.9170 299.1058 145.4216 171.2157 759906.7747 -24.5681 -24.4769 PRESSURE: 1354400 11.3761 120.206 181.302 120.206 -345.307 -7.46949 181.302 -7.46973 -70.4773 GPRESSURE: 1354400 56.6818 68.6968 92.4029 1.70323 -264.541 102.09 74.5084 -51.3416 -97.7103 PRESSAVG: 1354400 33.8548 -25.0295 24.4961 -25.0296 -44.7475 12.9849 24.4961 12.9849 -20.0136 GPRESSAVG: 1354400 33.6957 -26.6907 24.7605 -24.5618 -43.6426 12.8027 24.3618 10.3969 -20.8965 TIMING: 1354400 CPU: 4349.56, 0.00316191/step Wall: 4349.56, 0.00316191/step, 3.20196 hours remaining, 233.882812 MB of memory in use. ENERGY: 1354400 4058.4273 20516.1279 14396.5387 245.7108 -203632.6845 2546.1970 0.0000 0.0000 52221.3541 -109648.3287 300.1168 -161869.6827 -109294.7776 299.2555 -134.8026 -101.8566 760298.0260 -10.3021 -10.2811 PRESSURE: 1354600 92.7748 -8.09884 -32.1853 -8.09857 -90.9536 -73.2944 -32.1856 -73.2941 -220.511 GPRESSURE: 1354600 195.255 23.5152 33.7304 26.7571 -167.742 -99.8925 14.7325 35.9076 -141.844 PRESSAVG: 1354600 36.7653 26.3521 18.5657 26.3521 -13.9526 9.25427 18.5656 9.25421 2.34481 GPRESSAVG: 1354600 37.879 25.2554 18.6023 27.9164 -15.1688 9.34667 18.8462 9.78278 2.0351 TIMING: 1354600 CPU: 4350.19, 0.00314744/step Wall: 4350.19, 0.00314744/step, 3.18713 hours remaining, 233.882812 MB of memory in use. ENERGY: 1354600 4045.5088 20399.1993 14388.2311 247.4376 -203649.3222 2855.7608 0.0000 0.0000 52163.8774 -109549.3072 299.7865 -161713.1846 -109189.7823 299.4565 -72.8967 -38.1105 760522.9418 8.3858 8.2484 PRESSURE: 1354800 342.449 -82.1232 -3.34626 -82.1228 -71.6306 -118.227 -3.3464 -118.227 -309.502 GPRESSURE: 1354800 381.92 -71.6513 37.1729 -138.994 -28.0779 -107.302 98.8835 -232.271 -302.146 PRESSAVG: 1354800 19.3791 -9.92976 -22.6832 -9.92972 -28.8472 -3.93634 -22.6832 -3.9363 -6.57214 GPRESSAVG: 1354800 18.6693 -11.571 -22.4406 -10.2137 -27.6398 -4.64081 -23.2802 -3.40087 -6.88679 TIMING: 1354800 CPU: 4350.82, 0.00314671/step Wall: 4350.82, 0.00314671/step, 3.18622 hours remaining, 233.882812 MB of memory in use. ENERGY: 1354800 3975.7719 20291.3688 14400.3389 230.7577 -203360.1185 2496.9791 0.0000 0.0000 52261.8971 -109703.0051 300.3498 -161964.9022 -109344.3749 299.2898 -12.8946 17.2320 760879.4606 -5.3468 -5.2858 PRESSURE: 1355000 -13.3795 176.217 236.347 176.218 -424.398 -32.5877 236.347 -32.5867 123.188 GPRESSURE: 1355000 18.5039 170.19 141.368 155.172 -355.411 -1.99725 251.342 50.3734 114.485 PRESSAVG: 1355000 69.2932 -45.8634 -34.0079 -45.8634 -51.055 19.6752 -34.0078 19.6753 9.4774 GPRESSAVG: 1355000 69.8941 -43.3274 -35.7431 -46.4775 -52.432 21.4183 -35.1052 20.2524 10.1341 TIMING: 1355000 CPU: 4351.45, 0.00313796/step Wall: 4351.45, 0.00313796/step, 3.17719 hours remaining, 233.882812 MB of memory in use. ENERGY: 1355000 4112.9749 20470.3759 14430.5058 249.1476 -203276.6905 2406.7258 0.0000 0.0000 51780.6094 -109826.3512 297.5839 -161606.9606 -109475.3066 298.6219 -104.8630 -74.1408 760492.3959 9.2385 9.1988 PRESSURE: 1355200 51.425 -49.5741 -12.7087 -49.5743 106.907 215.62 -12.7086 215.622 -93.5334 GPRESSURE: 1355200 58.372 -50.454 -90.8131 -37.1003 145.653 196.52 -40.9744 168.538 -46.3086 PRESSAVG: 1355200 53.4499 -33.2499 0.830283 -33.2499 -24.8777 -26.1073 0.830277 -26.1074 -4.28736 GPRESSAVG: 1355200 53.0598 -35.1742 1.27472 -33.8518 -24.649 -27.6105 2.4313 -26.1638 -4.43693 TIMING: 1355200 CPU: 4352.07, 0.00312518/step Wall: 4352.07, 0.00312518/step, 3.16407 hours remaining, 233.882812 MB of memory in use. ENERGY: 1355200 4007.8717 20514.8361 14356.0354 248.2525 -202880.0206 2232.1318 0.0000 0.0000 51728.4533 -109792.4398 297.2841 -161520.8931 -109442.3929 298.5407 21.5994 52.5720 760560.9076 8.0949 7.9913 PRESSURE: 1355400 -37.0904 173.666 -229.498 173.666 -6.96473 44.4195 -229.498 44.4191 19.1396 GPRESSURE: 1355400 -2.66482 130.216 -212.086 55.2034 27.5915 43.5957 -97.942 -45.1712 40.9392 PRESSAVG: 1355400 49.3337 -37.1282 -5.97316 -37.1281 -36.4534 -63.158 -5.97318 -63.158 -9.91734 GPRESSAVG: 1355400 49.1704 -34.728 -5.72558 -39.1932 -36.6194 -61.5266 -6.48581 -65.611 -10.0399 TIMING: 1355400 CPU: 4352.7, 0.00314917/step Wall: 4352.7, 0.00314917/step, 3.18819 hours remaining, 233.882812 MB of memory in use. ENERGY: 1355400 3976.7321 20474.4589 14391.4051 253.4584 -203227.9381 2470.7706 0.0000 0.0000 51890.7373 -109770.3757 298.2168 -161661.1129 -109414.1065 298.5296 -8.3052 21.9553 763301.4757 0.9876 0.8370 PRESSURE: 1355600 59.8747 -121.959 -142.54 -121.959 -350.912 -99.9412 -142.541 -99.9416 -127.772 GPRESSURE: 1355600 44.5094 -106.028 -233.71 -58.4852 -266.852 -116.79 -109.937 -119.094 -108.618 PRESSAVG: 1355600 -1.64006 -90.1189 -35.3691 -90.1188 -25.5108 -14.484 -35.3691 -14.484 -7.38206 GPRESSAVG: 1355600 -2.56628 -88.894 -34.9793 -88.9221 -25.1106 -14.2634 -34.8764 -13.775 -6.89898 TIMING: 1355600 CPU: 4353.33, 0.00314929/step Wall: 4353.33, 0.00314929/step, 3.18813 hours remaining, 233.882812 MB of memory in use. ENERGY: 1355600 4034.6263 20241.2211 14441.9191 222.9852 -203137.6888 2450.6309 0.0000 0.0000 51884.4655 -109861.8407 298.1807 -161746.3062 -109500.5430 298.5689 -139.6032 -110.3204 762518.3792 -11.5110 -11.5253 PRESSURE: 1355800 -244.401 264.596 -296.161 264.596 -137.12 -151.908 -296.161 -151.907 52.1843 GPRESSURE: 1355800 -200.63 262.271 -245.423 122.485 -78.2433 -107.563 -199.63 -155.388 32.1412 PRESSAVG: 1355800 53.6053 -35.1281 -48.0489 -35.1281 2.2628 -52.719 -48.0488 -52.7189 9.82694 GPRESSAVG: 1355800 52.8929 -37.7578 -48.8778 -32.3373 2.945 -54.6456 -47.4933 -50.6462 9.44827 TIMING: 1355800 CPU: 4353.96, 0.00315151/step Wall: 4353.96, 0.00315151/step, 3.19021 hours remaining, 233.882812 MB of memory in use. ENERGY: 1355800 3967.0107 20241.5459 14447.3457 224.4270 -203561.6912 2586.8552 0.0000 0.0000 52129.4316 -109965.0751 299.5886 -162094.5067 -109605.0582 298.7937 -109.7787 -82.2440 761220.3867 21.8983 21.7620 PRESSURE: 1356000 -63.5068 -78.6771 -153.1 -78.6778 -20.1578 -228.196 -153.101 -228.197 48.2555 GPRESSURE: 1356000 1.73804 -108.238 -282.134 -59.5565 -39.9627 -216.979 -138.442 -145.172 103.532 PRESSAVG: 1356000 1.03653 -74.1989 -35.2184 -74.1989 26.6617 -27.6318 -35.2184 -27.6318 -5.6672 GPRESSAVG: 1356000 2.26977 -73.2531 -36.7636 -76.714 24.47 -27.2043 -36.1491 -27.9917 -4.67173 TIMING: 1356000 CPU: 4354.6, 0.00315329/step Wall: 4354.6, 0.00315329/step, 3.19183 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1356000 3911.3213 20309.4213 14434.0655 261.6518 -203334.3230 2419.0995 0.0000 0.0000 51930.1041 -110068.6594 298.4430 -161998.7636 -109702.9502 298.0864 -11.8030 21.7691 761678.6315 7.3437 7.3560 PRESSURE: 1356200 8.56311 -166.613 -78.0494 -166.614 -115.408 2.09414 -78.05 2.09393 6.93962 GPRESSURE: 1356200 18.2001 -123.43 -65.3163 -95.985 -109.434 21.8898 -76.1674 -34.4667 54.0726 PRESSAVG: 1356200 59.01 -36.3706 25.0827 -36.3706 -36.3104 15.5193 25.0827 15.5193 29.6374 GPRESSAVG: 1356200 58.8412 -37.0627 27.5504 -34.517 -35.882 16.5042 25.2098 13.8525 29.3168 TIMING: 1356200 CPU: 4355.23, 0.00316967/step Wall: 4355.23, 0.00316967/step, 3.20823 hours remaining, 233.882812 MB of memory in use. ENERGY: 1356200 3998.0534 20483.2203 14357.4509 229.6554 -203231.7142 2323.3381 0.0000 0.0000 51828.5484 -110011.4477 297.8594 -161839.9961 -109660.4498 297.8717 -33.3018 -12.3872 761359.3629 17.4457 17.4253 LDB: ============= START OF LOAD BALANCING ============== 4367.65 LDB: ============== END OF LOAD BALANCING =============== 4367.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4367.66 LDB: ============= START OF LOAD BALANCING ============== 4367.97 LDB: Largest compute 7070 load 0.034631 is 17.7% of average load 0.195329 LDB: Average compute 0.004412 is 2.3% of average load 0.195329 LDB: TIME 4367.98 LOAD: AVG 0.195329 MAX 0.214802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.621 MB LDB: TIME 4367.98 LOAD: AVG 0.195329 MAX 0.214802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.66 MB LDB: TIME 4367.98 LOAD: AVG 0.195329 MAX 0.214802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.66 MB LDB: ============== END OF LOAD BALANCING =============== 4367.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4367.99 PRESSURE: 1356400 26.9732 100.276 -78.2794 100.276 107.446 -20.4417 -78.2797 -20.4406 421.478 GPRESSURE: 1356400 -3.33724 53.3763 -73.415 94.3386 233.94 83.6638 39.3564 -62.8705 411.818 PRESSAVG: 1356400 -2.42053 -11.8402 -33.7069 -11.8401 -24.7945 -36.6254 -33.7069 -36.6254 5.91926 GPRESSAVG: 1356400 -3.65717 -13.0477 -34.9261 -12.6141 -23.9087 -36.5396 -33.0539 -36.1266 6.56289 TIMING: 1356400 CPU: 4355.88, 0.00324825/step Wall: 4355.88, 0.00324825/step, 3.28759 hours remaining, 231.261719 MB of memory in use. ENERGY: 1356400 3931.8429 20508.3280 14468.3060 244.7877 -203989.4264 2958.0939 0.0000 0.0000 51984.2288 -109893.8390 298.7541 -161878.0678 -109538.9264 298.1536 185.2989 214.1401 759833.4711 -7.0986 -7.0010 PRESSURE: 1356600 -428.233 -62.1481 -0.288735 -62.148 -108.036 54.175 -0.288256 54.1741 -15.9411 GPRESSURE: 1356600 -313.672 -65.2116 19.7458 -24.6012 -116.506 2.28991 -78.8935 -125.882 -31.2942 PRESSAVG: 1356600 38.3204 -69.1088 -19.9835 -69.1088 12.9458 -7.06134 -19.9835 -7.06133 -1.51227 GPRESSAVG: 1356600 40.9439 -68.9873 -17.6012 -68.3594 10.9104 -7.29528 -22.5947 -7.98954 -2.05585 TIMING: 1356600 CPU: 4356.51, 0.00314897/step Wall: 4356.51, 0.00314897/step, 3.18693 hours remaining, 231.261719 MB of memory in use. ENERGY: 1356600 3936.9469 20352.0376 14465.5571 256.4608 -203459.7999 2470.1320 0.0000 0.0000 52032.6044 -109946.0611 299.0321 -161978.6655 -109584.7675 298.8069 -184.0699 -153.8243 761093.7236 16.5847 16.5995 PRESSURE: 1356800 -134.98 51.4852 21.2868 51.485 172.917 -38.3876 21.2865 -38.3879 -49.8809 GPRESSURE: 1356800 -48.1555 0.804693 -90.4599 -51.6097 83.7463 -27.074 43.1615 65.1587 11.1578 PRESSAVG: 1356800 -38.223 -61.677 -6.82516 -61.677 25.8677 1.43922 -6.82519 1.43923 -7.95997 GPRESSAVG: 1356800 -39.729 -58.6124 -8.08215 -62.5927 26.8687 2.17438 -5.01955 2.4901 -7.32374 TIMING: 1356800 CPU: 4357.14, 0.00315553/step Wall: 4357.14, 0.00315553/step, 3.19339 hours remaining, 231.261719 MB of memory in use. ENERGY: 1356800 4057.3933 20368.7278 14385.0802 241.8954 -203419.4442 2497.4516 0.0000 0.0000 51998.3948 -109870.5011 298.8355 -161868.8959 -109515.0144 297.9967 -3.9811 15.5829 761018.6441 -6.7718 -6.7280 PRESSURE: 1357000 185.508 -59.7742 -46.3511 -59.7754 -314.203 90.2342 -46.3513 90.2342 -188.482 GPRESSURE: 1357000 176.359 -46.1999 -69.1023 -79.2895 -215.506 193.974 185.16 112.626 -202.678 PRESSAVG: 1357000 25.9449 -37.8806 -17.5252 -37.8807 8.89625 0.615291 -17.5253 0.615283 -14.5178 GPRESSAVG: 1357000 26.6041 -39.3298 -18.4563 -37.0451 8.09794 0.395545 -15.7285 0.97684 -14.4953 TIMING: 1357000 CPU: 4357.77, 0.00315305/step Wall: 4357.77, 0.00315305/step, 3.19071 hours remaining, 231.261719 MB of memory in use. ENERGY: 1357000 3941.3137 20469.4354 14324.9354 244.2254 -203236.3225 2639.4481 0.0000 0.0000 51775.0746 -109841.8899 297.5521 -161616.9645 -109483.4433 298.7335 -105.7260 -80.6081 760830.4576 6.7744 6.7356 PRESSURE: 1357200 250.564 -75.734 -126.054 -75.7345 -414.359 82.491 -126.053 82.491 112.108 GPRESSURE: 1357200 280.006 -80.9257 -81.7369 -62.3459 -318.67 89.8349 -142.682 126.769 66.1473 PRESSAVG: 1357200 32.5913 -23.7461 -19.4986 -23.7462 6.25352 31.6152 -19.4986 31.6152 11.7485 GPRESSAVG: 1357200 30.7882 -23.7821 -19.6875 -23.9849 8.4318 30.992 -21.1362 31.8177 11.6449 TIMING: 1357200 CPU: 4358.4, 0.00315671/step Wall: 4358.4, 0.00315671/step, 3.19423 hours remaining, 231.261719 MB of memory in use. ENERGY: 1357200 3913.0698 20506.3211 14457.2448 252.7169 -203224.8759 2311.3382 0.0000 0.0000 51982.1218 -109802.0633 298.7420 -161784.1851 -109435.6566 298.5615 -17.2289 9.1611 759769.5468 16.8644 16.9549 PRESSURE: 1357400 -158.185 64.9676 -172.469 64.967 -57.693 113.455 -172.469 113.456 -192.114 GPRESSURE: 1357400 -138.652 106.756 -233.858 54.9828 8.33426 144.085 -101.81 122.542 -201.792 PRESSAVG: 1357400 -23.2918 -19.5414 -31.2374 -19.5414 8.23579 28.8736 -31.2374 28.8736 -12.8511 GPRESSAVG: 1357400 -22.3823 -20.5944 -29.7361 -17.283 6.80868 29.2456 -32.1622 29.0914 -12.8481 TIMING: 1357400 CPU: 4359.04, 0.0031683/step Wall: 4359.04, 0.0031683/step, 3.20579 hours remaining, 231.261719 MB of memory in use. ENERGY: 1357400 3953.6196 20370.6939 14451.2422 262.0607 -203242.9716 2510.1453 0.0000 0.0000 51953.0389 -109742.1709 298.5748 -161695.2098 -109371.3852 299.4964 -135.9974 -110.7032 759602.5109 -9.3024 -9.4739 PRESSURE: 1357600 -246.378 -193.404 89.3606 -193.403 -207.132 4.63777 89.3598 4.63699 -326.806 GPRESSURE: 1357600 -33.8074 -280.204 61.8957 -154.217 -259.77 -28.0319 99.6946 -87.0992 -384.544 PRESSAVG: 1357600 26.013 -9.68969 5.95295 -9.68967 -18.6436 -13.9659 5.95292 -13.9658 5.11639 GPRESSAVG: 1357600 27.3977 -10.0293 7.31883 -10.178 -18.7665 -14.1808 5.93531 -16.3767 4.08191 TIMING: 1357600 CPU: 4359.67, 0.00316261/step Wall: 4359.67, 0.00316261/step, 3.19986 hours remaining, 231.261719 MB of memory in use. ENERGY: 1357600 4025.0862 20352.5541 14410.4813 255.3409 -203216.2230 2294.2219 0.0000 0.0000 52156.0548 -109722.4837 299.7416 -161878.5385 -109352.8407 299.0556 -260.1055 -226.0406 760719.8757 4.1620 4.2377 PRESSURE: 1357800 160.938 184.319 71.4245 184.32 76.8053 38.4411 71.4248 38.4399 -263.673 GPRESSURE: 1357800 201.187 94.1346 71.2068 164.094 135.893 39.2864 15.2006 -89.8768 -262.364 PRESSAVG: 1357800 -30.2157 -18.9444 -34.4683 -18.9444 19.1473 -20.9228 -34.4682 -20.9228 2.55887 GPRESSAVG: 1357800 -32.3311 -16.6182 -35.3842 -21.6634 19.6884 -20.1235 -35.3564 -20.9288 3.49843 TIMING: 1357800 CPU: 4360.3, 0.0031537/step Wall: 4360.3, 0.0031537/step, 3.19067 hours remaining, 231.261719 MB of memory in use. ENERGY: 1357800 4047.1181 20326.1801 14444.3720 279.2828 -203244.6899 2407.5444 0.0000 0.0000 52079.5126 -109660.6798 299.3017 -161740.1924 -109296.0240 299.1929 -8.6431 24.9054 760601.5744 -2.8365 -3.0481 PRESSURE: 1358000 -381.92 -123.755 -98.4252 -123.755 -19.0475 -65.2822 -98.4256 -65.2828 -9.48772 GPRESSURE: 1358000 -316.091 -157.357 -184.025 -53.2547 -5.64379 -49.2457 -157.915 -69.4315 -7.5037 PRESSAVG: 1358000 -17.8089 10.9306 20.8129 10.9306 43.0857 -24.135 20.8129 -24.135 -17.3575 GPRESSAVG: 1358000 -17.7814 10.271 18.679 11.4982 43.5061 -27.4147 21.62 -21.2774 -17.78 TIMING: 1358000 CPU: 4360.93, 0.00314284/step Wall: 4360.93, 0.00314284/step, 3.1795 hours remaining, 231.261719 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: 1358000 4031.3012 20323.1817 14399.7125 254.5375 -203298.7102 2326.4377 0.0000 0.0000 52134.3701 -109829.1696 299.6169 -161963.5396 -109463.2928 299.0064 -136.8183 -109.7463 761121.4613 2.6397 2.6482 PRESSURE: 1358200 -192.088 191.814 -26.9523 191.815 321.911 0.71873 -26.951 0.718009 -1.01563 GPRESSURE: 1358200 -74.226 132.29 -15.3512 254.885 331.637 36.0357 62.5821 41.7913 -31.7231 PRESSAVG: 1358200 -9.46007 14.0996 -12.6442 14.0996 4.02605 -5.21375 -12.6442 -5.21375 2.75308 GPRESSAVG: 1358200 -8.60889 15.322 -12.7901 12.752 3.81841 -2.70089 -11.403 -7.26343 2.38962 TIMING: 1358200 CPU: 4361.56, 0.00314258/step Wall: 4361.56, 0.00314258/step, 3.17907 hours remaining, 231.261719 MB of memory in use. ENERGY: 1358200 3963.4202 20366.0395 14443.8458 238.0242 -202999.3928 2279.4149 0.0000 0.0000 51874.1067 -109834.5415 298.1212 -161708.6482 -109474.3270 298.8799 42.9356 75.2293 760281.1935 -0.8936 -0.8003 PRESSURE: 1358400 137.939 12.9478 -254.367 12.9473 -54.0418 39.6083 -254.365 39.6069 345.278 GPRESSURE: 1358400 149.833 52.519 -241.912 29.4718 38.071 13.4569 -229.503 143.508 317.564 PRESSAVG: 1358400 59.6974 11.3431 -44.3547 11.3432 -55.0054 22.0017 -44.3547 22.0017 0.489802 GPRESSAVG: 1358400 58.4946 8.94888 -43.2862 13.8848 -54.4796 22.0462 -44.2534 22.1072 1.31244 TIMING: 1358400 CPU: 4362.19, 0.00315609/step Wall: 4362.19, 0.00315609/step, 3.19256 hours remaining, 231.261719 MB of memory in use. ENERGY: 1358400 3972.3483 20270.7158 14341.0393 231.0226 -203125.5974 2167.3978 0.0000 0.0000 52279.1826 -109863.8911 300.4492 -162143.0737 -109503.4306 298.6898 143.0583 168.4893 759520.5582 1.7273 1.7758 PRESSURE: 1358600 235.956 -0.37461 81.6444 -0.374036 -125.275 111.816 81.6444 111.815 165.159 GPRESSURE: 1358600 186.876 8.45736 19.9167 43.0683 -26.2095 143.355 -15.1755 157.06 196.219 PRESSAVG: 1358600 9.86389 -47.1118 15.2438 -47.1118 -11.1315 40.5198 15.2439 40.5198 20.9782 GPRESSAVG: 1358600 11.2299 -47.4273 16.3037 -46.9928 -12.5374 41.4114 13.7876 40.6896 20.9974 TIMING: 1358600 CPU: 4362.82, 0.00314919/step Wall: 4362.82, 0.00314919/step, 3.1854 hours remaining, 231.261719 MB of memory in use. ENERGY: 1358600 3887.1125 20326.4698 14448.4511 220.2806 -203272.4045 2494.2754 0.0000 0.0000 52003.2831 -109892.5319 298.8636 -161895.8151 -109525.0341 298.6135 91.9462 118.9617 759964.5055 6.5702 6.5633 PRESSURE: 1358800 -25.7264 176.866 -186.123 176.866 77.9624 45.3172 -186.123 45.3157 350.276 GPRESSURE: 1358800 62.9018 144.894 -167.018 166.533 85.0547 -69.2503 -236.724 21.9523 335.124 PRESSAVG: 1358800 18.8178 -52.6735 -49.4833 -52.6735 -18.5676 -12.2629 -49.4833 -12.263 -12.5987 GPRESSAVG: 1358800 17.8456 -50.0465 -50.62 -53.8739 -18.0704 -14.0059 -51.141 -11.8369 -12.2674 TIMING: 1358800 CPU: 4363.45, 0.00315737/step Wall: 4363.45, 0.00315737/step, 3.1935 hours remaining, 231.261719 MB of memory in use. ENERGY: 1358800 3979.7808 20460.1211 14353.1362 237.0086 -203213.3868 2376.5743 0.0000 0.0000 51833.4154 -109973.3504 297.8874 -161806.7658 -109610.4948 297.9393 134.1706 161.0267 759727.7552 -4.1161 -4.1640 PRESSURE: 1359000 270.341 -349.215 -15.9413 -349.216 244.518 108.407 -15.9418 108.407 -1.8918 GPRESSURE: 1359000 267.33 -349.126 -45.8923 -240.037 272.193 125.75 137.787 -15.7782 67.8136 PRESSAVG: 1359000 -23.8265 -46.1466 -45.4316 -46.1467 22.1594 -7.17686 -45.4316 -7.17686 -22.8079 GPRESSAVG: 1359000 -23.3287 -48.224 -47.0763 -45.716 23.058 -4.77919 -43.3444 -7.72863 -23.9314 TIMING: 1359000 CPU: 4364.08, 0.00316503/step Wall: 4364.08, 0.00316503/step, 3.20107 hours remaining, 231.261719 MB of memory in use. ENERGY: 1359000 4000.8392 20339.8855 14439.6634 264.7888 -203529.0661 2744.9212 0.0000 0.0000 51932.6521 -109806.3160 298.4577 -161738.9682 -109448.4243 297.9859 170.9892 202.4458 759271.1506 -8.1584 -8.0674 PRESSURE: 1359200 -34.0874 -125.172 67.4068 -125.173 -272.871 -177.26 67.4075 -177.26 -241.451 GPRESSURE: 1359200 -0.571435 -98.1569 -3.54728 -275.175 -287.342 -198.354 89.1591 -154.96 -190.377 PRESSAVG: 1359200 36.6374 -74.4461 -25.2858 -74.4461 -43.0385 34.4024 -25.2858 34.4024 -21.1783 GPRESSAVG: 1359200 37.2163 -74.1198 -23.9573 -75.6737 -44.0238 32.0093 -25.2505 33.1185 -20.6765 TIMING: 1359200 CPU: 4364.71, 0.00314086/step Wall: 4364.71, 0.00314086/step, 3.17645 hours remaining, 231.261719 MB of memory in use. ENERGY: 1359200 4012.7881 20396.3254 14377.2992 263.5956 -202977.0653 2447.9703 0.0000 0.0000 51827.6824 -109651.4042 297.8544 -161479.0866 -109293.3156 298.6343 -182.8032 -159.4300 762232.4408 -9.1932 -9.1613 PRESSURE: 1359400 160.024 118.322 20.0321 118.322 -357.175 90.7637 20.032 90.7642 269.477 GPRESSURE: 1359400 177.413 228.919 24.2828 130.345 -259.101 150.435 23.0333 143.334 244.91 PRESSAVG: 1359400 50.809 -81.5364 -23.8111 -81.5364 -33.9159 47.9504 -23.8111 47.9504 13.7474 GPRESSAVG: 1359400 50.6638 -79.4493 -24.1728 -82.2972 -34.7225 50.0153 -22.7946 48.3974 14.2809 TIMING: 1359400 CPU: 4365.33, 0.00312488/step Wall: 4365.33, 0.00312488/step, 3.16012 hours remaining, 231.261719 MB of memory in use. ENERGY: 1359400 3938.9882 20527.9966 14447.8220 244.0629 -203235.4257 2689.8304 0.0000 0.0000 51962.5640 -109424.1616 298.6296 -161386.7256 -109067.4269 298.7435 24.1085 54.4073 761655.7861 10.2135 10.0741 PRESSURE: 1359600 -27.4291 -31.8045 83.5354 -31.8052 197.576 74.6548 83.5357 74.6547 -196.511 GPRESSURE: 1359600 28.4614 -21.8642 60.8765 18.824 242.061 74.1953 19.8627 156.667 -219.246 PRESSAVG: 1359600 -36.6922 -69.5103 -7.27786 -69.5103 -57.3541 52.0075 -7.27783 52.0075 -5.81008 GPRESSAVG: 1359600 -36.9282 -70.9732 -5.50892 -67.9636 -57.1384 50.4561 -9.28162 51.4025 -6.12488 TIMING: 1359600 CPU: 4365.96, 0.00314383/step Wall: 4365.96, 0.00314383/step, 3.17911 hours remaining, 231.261719 MB of memory in use. ENERGY: 1359600 3861.5585 20349.7655 14378.0145 242.5526 -203101.1910 2475.4919 0.0000 0.0000 52009.3975 -109784.4104 298.8987 -161793.8079 -109418.9472 298.0538 -8.7880 17.0924 761288.3508 -33.2854 -33.3972 PRESSURE: 1359800 16.8493 15.3882 63.5542 15.3884 -622.345 93.6779 63.5551 93.6781 -215.429 GPRESSURE: 1359800 -44.6394 175.87 48.007 36.0535 -454.462 92.2417 147.726 219.915 -262.423 PRESSAVG: 1359800 15.138 -9.90035 -25.4103 -9.90033 -7.84965 27.3423 -25.4102 27.3423 -7.18222 GPRESSAVG: 1359800 16.5129 -8.90494 -25.5317 -9.80702 -8.16865 28.4375 -25.2894 27.5478 -8.26726 TIMING: 1359800 CPU: 4366.59, 0.00313637/step Wall: 4366.59, 0.00313637/step, 3.1714 hours remaining, 231.261719 MB of memory in use. ENERGY: 1359800 3917.2375 20407.9988 14360.6386 245.7370 -202511.2850 2051.6036 0.0000 0.0000 51853.8160 -109674.2535 298.0046 -161528.0695 -109315.7328 298.7332 -273.6414 -253.8415 760998.7007 0.0354 0.0257 PRESSURE: 1360000 39.274 -12.3861 118 -12.3868 -76.6539 187.238 118 187.236 -409.237 GPRESSURE: 1360000 -28.5102 27.8094 93.9299 -56.0996 -6.01305 185.744 43.6148 184.941 -319.68 PRESSAVG: 1360000 33.3862 -61.7682 -47.6465 -61.7683 18.19 7.71238 -47.6465 7.71237 13.5924 GPRESSAVG: 1360000 32.3917 -64.3861 -48.63 -62.773 17.2295 5.31925 -46.9243 10.5107 15.2311 TIMING: 1360000 CPU: 4367.22, 0.00313592/step Wall: 4367.22, 0.00313592/step, 3.17076 hours remaining, 231.261719 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: 1360000 4041.1150 20381.2399 14400.8899 229.2064 -203105.3542 2304.0454 0.0000 0.0000 52215.5150 -109533.3426 300.0833 -161748.8576 -109159.7043 298.6510 -148.8723 -118.0676 760530.2353 21.7229 21.6174 PRESSURE: 1360200 130.221 -58.3215 -87.9764 -58.3226 -212.499 -169.416 -87.9752 -169.415 -37.8582 GPRESSURE: 1360200 252.104 -44.9392 -121.712 2.70164 -189.215 -124.092 -75.731 -143.415 -79.8974 PRESSAVG: 1360200 48.263 3.51466 -49.273 3.51468 -27.9024 -32.0655 -49.2729 -32.0655 28.1841 GPRESSAVG: 1360200 48.2173 4.78151 -50.2257 6.66057 -26.2806 -29.7037 -48.7323 -34.1071 26.6909 TIMING: 1360200 CPU: 4367.85, 0.00313717/step Wall: 4367.85, 0.00313717/step, 3.17185 hours remaining, 231.261719 MB of memory in use. ENERGY: 1360200 3950.8158 20450.1869 14383.3468 238.1818 -202807.0830 2441.1166 0.0000 0.0000 52047.4231 -109296.0120 299.1173 -161343.4352 -108927.1261 300.2094 -40.0452 -5.6695 761530.8150 16.1815 16.2092 LDB: ============= START OF LOAD BALANCING ============== 4380.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4380.27 LDB: =============== DONE WITH MIGRATION ================ 4380.27 LDB: ============= START OF LOAD BALANCING ============== 4380.59 LDB: Largest compute 7073 load 0.034687 is 17.8% of average load 0.195215 LDB: Average compute 0.004400 is 2.3% of average load 0.195215 LDB: TIME 4380.59 LOAD: AVG 0.195215 MAX 0.211952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 4380.59 LOAD: AVG 0.195215 MAX 0.211952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: TIME 4380.59 LOAD: AVG 0.195215 MAX 0.211952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: ============== END OF LOAD BALANCING =============== 4380.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4380.6 PRESSURE: 1360400 -129.858 -200.912 -90.9483 -200.913 -169.022 -186.965 -90.9482 -186.966 208.712 GPRESSURE: 1360400 -93.6562 -230.288 -23.6502 -174.727 -125.412 -293.676 -77.8291 -112.723 229.34 PRESSAVG: 1360400 -8.4041 -51.2698 -20.3581 -51.2698 16.9612 -65.9585 -20.3581 -65.9584 9.27877 GPRESSAVG: 1360400 -8.52724 -51.9344 -19.5162 -52.6816 16.6909 -68.6956 -21.9957 -67.1957 10.1372 TIMING: 1360400 CPU: 4368.49, 0.00322877/step Wall: 4368.49, 0.00322877/step, 3.26428 hours remaining, 231.398438 MB of memory in use. ENERGY: 1360400 3982.6375 20481.6212 14447.7455 247.4428 -203068.8711 2277.2210 0.0000 0.0000 52242.0964 -109390.1067 300.2360 -161632.2032 -109024.9999 299.9466 -30.0559 3.4240 759916.4602 5.9453 6.1003 PRESSURE: 1360600 20.4016 -132.217 -26.5336 -132.217 317.018 8.24539 -26.5331 8.24478 -272.97 GPRESSURE: 1360600 30.7636 -52.7555 9.49434 -58.5192 240.677 22.7793 35.992 -21.6755 -140.817 PRESSAVG: 1360600 1.50098 -84.4549 25.2529 -84.4549 -4.32365 76.347 25.2529 76.347 -3.71059 GPRESSAVG: 1360600 1.01607 -82.481 24.7379 -86.6171 -3.39751 76.6167 25.9563 76.3024 -4.16456 TIMING: 1360600 CPU: 4369.12, 0.00315687/step Wall: 4369.12, 0.00315688/step, 3.19143 hours remaining, 231.636719 MB of memory in use. ENERGY: 1360600 3951.1591 20535.8206 14428.3938 248.0810 -203206.8027 2476.2757 0.0000 0.0000 52079.1606 -109487.9120 299.2997 -161567.0726 -109131.3790 299.4990 21.4835 43.5413 758974.0683 -2.1778 -2.1820 PRESSURE: 1360800 37.4757 80.4458 -183.482 80.446 -58.2441 49.7127 -183.482 49.7123 -26.7241 GPRESSURE: 1360800 93.2158 0.680557 -47.1741 208.282 -37.8715 77.1957 -296.602 77.6665 -14.69 PRESSAVG: 1360800 13.5694 -0.205418 -0.462729 -0.20548 29.4589 10.0276 -0.462656 10.0275 16.2881 GPRESSAVG: 1360800 13.7992 -1.4458 1.98218 0.947986 29.2093 10.6253 -0.463008 10.3952 15.9647 TIMING: 1360800 CPU: 4369.75, 0.00315345/step Wall: 4369.75, 0.00315345/step, 3.18778 hours remaining, 231.890625 MB of memory in use. ENERGY: 1360800 3947.6486 20449.9124 14407.0960 236.1017 -202807.9734 2037.3436 0.0000 0.0000 51943.1582 -109786.7129 298.5180 -161729.8710 -109424.8424 298.6222 -15.8308 13.5514 759152.4027 19.7721 19.6578 PRESSURE: 1361000 43.5382 -43.6629 -81.6007 -43.6619 223.049 -133.82 -81.5997 -133.82 74.4894 GPRESSURE: 1361000 30.059 12.2531 -70.169 -46.4633 224.668 -86.7776 -42.5349 -41.5656 158.609 PRESSAVG: 1361000 12.1219 13.3365 -4.63019 13.3365 -20.0278 42.5453 -4.63015 42.5453 33.7118 GPRESSAVG: 1361000 11.3967 13.6797 -5.20741 14.1879 -19.6485 43.1272 -6.57228 41.5564 33.9508 TIMING: 1361000 CPU: 4370.38, 0.00315019/step Wall: 4370.38, 0.00315019/step, 3.18432 hours remaining, 231.890625 MB of memory in use. ENERGY: 1361000 4050.6885 20455.2061 14382.3656 259.1712 -203559.9732 2722.1021 0.0000 0.0000 52075.5758 -109614.8640 299.2791 -161690.4398 -109251.1375 298.8537 113.6922 137.7785 759990.9628 8.6020 8.5663 PRESSURE: 1361200 443.197 -119.578 -10.3877 -119.578 -546.343 30.9838 -10.3882 30.982 313.226 GPRESSURE: 1361200 393.42 17.6982 40.7898 -65.8851 -418.898 -34.5769 93.093 -12.2131 350.879 PRESSAVG: 1361200 -22.727 -35.1699 15.329 -35.17 1.97062 2.29867 15.329 2.29875 13.1387 GPRESSAVG: 1361200 -20.7396 -33.9336 14.2348 -37.4863 0.0824238 0.7999 17.0077 2.84722 13.3586 TIMING: 1361200 CPU: 4371.01, 0.0031484/step Wall: 4371.01, 0.0031484/step, 3.18233 hours remaining, 231.890625 MB of memory in use. ENERGY: 1361200 3909.2114 20266.2186 14398.9583 254.6372 -202975.7486 2453.2280 0.0000 0.0000 52091.0507 -109602.4444 299.3680 -161693.4951 -109246.9858 299.1804 70.0267 108.4671 759472.1440 -2.5392 -2.4329 PRESSURE: 1361400 207.853 -156.378 -157.299 -156.377 -362.461 45.2835 -157.299 45.2836 -57.1421 GPRESSURE: 1361400 143.76 -224.994 -207.655 -163.943 -225.208 33.293 -149.897 44.442 -22.2776 PRESSAVG: 1361400 0.803778 -48.0909 -0.422715 -48.0908 -42.5644 44.936 -0.422736 44.9361 31.1798 GPRESSAVG: 1361400 -1.95834 -48.4624 -1.05236 -46.7795 -40.0803 46.537 0.28535 44.4112 31.3565 TIMING: 1361400 CPU: 4371.64, 0.00314631/step Wall: 4371.64, 0.00314631/step, 3.18004 hours remaining, 231.890625 MB of memory in use. ENERGY: 1361400 4042.6886 20490.4018 14376.1680 250.8024 -203102.0197 2598.8024 0.0000 0.0000 51598.7486 -109744.4080 296.5387 -161343.1565 -109395.7551 298.6585 -70.5833 -34.5752 760086.6941 -3.5269 -3.5607 PRESSURE: 1361600 -89.8556 -79.7382 -52.0798 -79.7372 -63.048 -29.4281 -52.0809 -29.4271 14.6781 GPRESSURE: 1361600 -83.1216 -152.86 -80.5964 160.597 7.8422 -53.5804 -56.9114 147.153 36.4139 PRESSAVG: 1361600 5.93545 -39.4757 3.36442 -39.4757 -36.6023 -28.1935 3.36441 -28.1936 0.309919 GPRESSAVG: 1361600 7.69541 -41.0122 3.64797 -38.7019 -38.5719 -28.2303 0.379702 -28.0082 0.0805314 TIMING: 1361600 CPU: 4372.27, 0.00314623/step Wall: 4372.27, 0.00314623/step, 3.17979 hours remaining, 231.890625 MB of memory in use. ENERGY: 1361600 3985.3092 20275.0770 14364.6793 254.8555 -203175.4654 2572.4891 0.0000 0.0000 51807.8185 -109915.2369 297.7402 -161723.0554 -109548.6688 298.1690 -46.0752 -12.9552 759737.2084 -10.1190 -10.2653 PRESSURE: 1361800 645.561 -245.473 128.084 -245.473 216.507 -48.1793 128.084 -48.1795 18.2796 GPRESSURE: 1361800 584.462 -328.364 141.992 -178.186 299.591 -42.1456 129.298 0.572514 110.57 PRESSAVG: 1361800 -73.3836 -20.235 3.26299 -20.235 49.765 94.7949 3.26304 94.7949 9.38795 GPRESSAVG: 1361800 -73.2461 -18.8955 3.65402 -20.4978 49.9932 95.8858 5.63159 95.1249 9.38927 TIMING: 1361800 CPU: 4372.9, 0.00313955/step Wall: 4372.9, 0.00313955/step, 3.17287 hours remaining, 231.890625 MB of memory in use. ENERGY: 1361800 3908.0886 20455.9516 14393.3967 241.8364 -202990.6634 2371.4481 0.0000 0.0000 51829.6323 -109790.3098 297.8656 -161619.9421 -109424.3345 298.1885 293.4491 331.5409 758941.6780 -4.7435 -4.6212 PRESSURE: 1362000 204.533 -44.9673 -122.135 -44.9673 190.417 -17.4073 -122.135 -17.4071 -95.9999 GPRESSURE: 1362000 216.664 -59.9071 -111.524 -94.4452 224.261 -87.8068 -175.696 -71.9956 -51.4051 PRESSAVG: 1362000 -62.4728 -61.331 0.328487 -61.331 84.66 35.3464 0.328428 35.3465 -1.58168 GPRESSAVG: 1362000 -63.8518 -60.7835 -0.460253 -61.5371 85.9628 34.6787 -1.71842 35.9217 -1.40025 TIMING: 1362000 CPU: 4373.53, 0.00315815/step Wall: 4373.53, 0.00315815/step, 3.19149 hours remaining, 231.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1362000 3904.8305 20417.9751 14355.6972 247.2851 -202967.8137 1989.0086 0.0000 0.0000 52207.8084 -109845.2089 300.0390 -162053.0173 -109490.0314 298.5018 99.6501 129.8399 757694.9046 6.8685 6.9036 PRESSURE: 1362200 157.82 -231.966 -120.343 -231.967 156.131 -117.969 -120.344 -117.97 -103.363 GPRESSURE: 1362200 227.176 -240.049 -141.884 -209.861 88.1207 -126.165 -104.874 46.9677 -22.648 PRESSAVG: 1362200 -15.6466 -43.7201 -45.4906 -43.7201 13.9439 17.2834 -45.4906 17.2834 -9.67338 GPRESSAVG: 1362200 -14.3153 -44 -46.2928 -43.8917 12.8161 17.3165 -42.0776 16.5421 -9.17183 TIMING: 1362200 CPU: 4374.16, 0.00315328/step Wall: 4374.16, 0.00315328/step, 3.18639 hours remaining, 231.890625 MB of memory in use. ENERGY: 1362200 3827.8979 20467.8282 14451.9598 240.0864 -203658.9976 2634.4334 0.0000 0.0000 52043.4411 -109993.3508 299.0944 -162036.7919 -109624.1894 298.4090 70.1961 97.5497 759043.1826 -3.7920 -3.5570 PRESSURE: 1362400 -101.098 -161.278 115.334 -161.278 -299.361 43.1988 115.334 43.1997 -77.3362 GPRESSURE: 1362400 -22.148 -200.011 132.551 -176.734 -301.139 -26.8735 36.0822 19.8653 -83.8771 PRESSAVG: 1362400 15.0527 -41.1457 -13.4292 -41.1456 -14.8987 48.2352 -13.4292 48.2352 0.412416 GPRESSAVG: 1362400 15.5339 -42.0306 -13.7102 -40.1096 -15.7269 48.2946 -15.2694 46.7784 0.637903 TIMING: 1362400 CPU: 4374.79, 0.00315548/step Wall: 4374.79, 0.00315548/step, 3.18844 hours remaining, 231.890625 MB of memory in use. ENERGY: 1362400 4032.4814 20348.5905 14479.8148 260.5687 -203472.9908 2473.7307 0.0000 0.0000 51928.5262 -109949.2785 298.4340 -161877.8047 -109588.1022 297.8012 -159.2652 -135.7213 761151.4121 0.1888 0.1483 PRESSURE: 1362600 -367.752 -249.891 -73.3464 -249.891 24.8649 -60.4216 -73.3461 -60.4223 -369.493 GPRESSURE: 1362600 -412.533 -289.033 -96.142 -101.392 100.27 -57.6066 -15.4248 -37.8371 -320.426 PRESSAVG: 1362600 12.7463 -65.2341 -7.16424 -65.2341 -4.84494 6.52126 -7.16423 6.52122 9.54718 GPRESSAVG: 1362600 14.0516 -64.3337 -6.46258 -65.5151 -5.1736 5.7926 -5.54901 7.54566 8.85449 TIMING: 1362600 CPU: 4375.42, 0.00315851/step Wall: 4375.42, 0.00315851/step, 3.19132 hours remaining, 231.890625 MB of memory in use. ENERGY: 1362600 3972.8536 20596.8158 14418.2623 255.1615 -202884.4545 2359.9843 0.0000 0.0000 51757.6927 -109523.6842 297.4522 -161281.3770 -109175.0789 298.5494 -237.4603 -210.8963 762516.0807 5.8162 5.9108 PRESSURE: 1362800 -9.53363 -177.409 -72.3511 -177.409 -230.045 -39.9331 -72.351 -39.9336 -120.369 GPRESSURE: 1362800 -8.69799 -199.311 -98.3592 -173.164 -96.0581 -28.8034 -44.0269 6.11916 -155.734 PRESSAVG: 1362800 -1.82434 -92.6939 -8.35524 -92.6939 -19.0691 20.1621 -8.3552 20.1621 -16.8793 GPRESSAVG: 1362800 -2.73873 -91.7699 -9.00242 -93.0033 -17.4998 21.9617 -8.99657 20.2514 -17.213 TIMING: 1362800 CPU: 4376.06, 0.00316831/step Wall: 4376.06, 0.00316831/step, 3.20105 hours remaining, 231.890625 MB of memory in use. ENERGY: 1362800 3996.0638 20608.0009 14446.2584 238.2996 -202904.7043 2037.1381 0.0000 0.0000 51942.1367 -109636.8069 298.5122 -161578.9436 -109272.3996 299.2788 -119.9825 -86.8299 760627.7377 -12.5909 -12.4839 PRESSURE: 1363000 8.6971 -108.387 -100.476 -108.387 -31.9547 5.14508 -100.476 5.14474 -84.2199 GPRESSURE: 1363000 59.3203 -137.213 -78.118 -61.6508 -41.0369 29.2881 133.322 -113.736 -24.409 PRESSAVG: 1363000 38.5836 -23.8961 -13.7937 -23.896 -15.4038 32.7044 -13.7937 32.7043 -5.75194 GPRESSAVG: 1363000 37.8565 -25.4394 -15.1156 -24.8695 -14.7154 32.1553 -14.2546 32.3219 -5.81747 TIMING: 1363000 CPU: 4376.69, 0.00317799/step Wall: 4376.69, 0.00317799/step, 3.21065 hours remaining, 231.960938 MB of memory in use. ENERGY: 1363000 4037.6043 20499.5032 14515.4163 258.6744 -203385.9782 2389.5361 0.0000 0.0000 52021.8230 -109663.4208 298.9701 -161685.2438 -109308.8261 299.4818 -35.8258 -2.0419 758299.0579 5.8093 5.7745 PRESSURE: 1363200 -114.083 -176.022 12.6903 -176.022 -148.31 -42.2554 12.6895 -42.255 -188.652 GPRESSURE: 1363200 -97.7611 -186.214 55.9711 -118.553 -73.7932 -94.367 -99.8277 -97.2645 -204.071 PRESSAVG: 1363200 -20.716 -14.4131 35.3379 -14.4131 16.2617 -12.1058 35.3379 -12.1059 0.255821 GPRESSAVG: 1363200 -19.5834 -13.6687 38.0052 -13.3889 14.76 -12.3694 35.5719 -11.4172 0.849079 TIMING: 1363200 CPU: 4377.33, 0.00317514/step Wall: 4377.33, 0.00317514/step, 3.20759 hours remaining, 231.960938 MB of memory in use. ENERGY: 1363200 3906.6193 20396.5196 14379.7581 269.6920 -203308.9205 2393.5940 0.0000 0.0000 52048.8955 -109913.8419 299.1257 -161962.7374 -109551.7363 298.9639 -150.3484 -125.2085 759091.9333 -1.3995 -1.3248 PRESSURE: 1363400 -238.016 -71.7476 81.753 -71.7471 -135.315 -17.9141 81.7525 -17.9144 150.18 GPRESSURE: 1363400 -146.587 -68.9817 18.9527 -143.817 -44.6105 -66.1863 71.6469 -31.0533 61.0349 PRESSAVG: 1363400 -5.72566 -7.13175 -8.81364 -7.13181 26.2783 11.9441 -8.81359 11.9441 12.6304 GPRESSAVG: 1363400 -5.91148 -8.48352 -10.2523 -5.57902 27.9171 10.4128 -9.66089 12.5081 11.1572 TIMING: 1363400 CPU: 4377.97, 0.00321192/step Wall: 4377.97, 0.00321192/step, 3.24457 hours remaining, 231.960938 MB of memory in use. ENERGY: 1363400 3996.0625 20385.2575 14440.0158 250.4922 -202776.8721 1974.9965 0.0000 0.0000 51913.4547 -109816.5930 298.3473 -161730.0477 -109457.5798 298.3448 -74.3837 -43.3875 760177.7477 11.0610 11.0543 PRESSURE: 1363600 -13.0209 -7.35655 92.4785 -7.35632 -78.4916 165.246 92.4796 165.246 -231.321 GPRESSURE: 1363600 98.5028 -77.5618 128.565 23.6497 -143.206 176.926 64.7762 204.766 -181.918 PRESSAVG: 1363600 -10.6013 2.0052 36.033 2.00523 30.1489 2.95202 36.033 2.95206 -20.8298 GPRESSAVG: 1363600 -11.3839 3.41485 36.5389 0.130255 29.4614 4.37231 35.6337 1.83081 -19.5481 TIMING: 1363600 CPU: 4378.61, 0.00319048/step Wall: 4378.61, 0.00319048/step, 3.22274 hours remaining, 231.960938 MB of memory in use. ENERGY: 1363600 4078.0623 20386.7595 14527.2945 227.1607 -203143.4291 2296.4995 0.0000 0.0000 51756.3346 -109871.3179 297.4444 -161627.6525 -109507.6159 298.7930 -107.6111 -75.5404 759584.7859 -0.4274 -0.4902 PRESSURE: 1363800 123.081 31.6677 -244.95 31.6672 222.625 94.1195 -244.95 94.1205 248.137 GPRESSURE: 1363800 183.886 25.66 -173.045 -9.91083 227.155 121.381 -277.163 138.601 280.948 PRESSAVG: 1363800 15.1468 -27.1869 -18.7379 -27.1869 -6.89788 -18.078 -18.7379 -18.0781 8.47555 GPRESSAVG: 1363800 16.0597 -27.4518 -18.7435 -25.8816 -7.73429 -17.8584 -18.7357 -17.194 8.06379 TIMING: 1363800 CPU: 4379.24, 0.00315898/step Wall: 4379.24, 0.00315898/step, 3.19074 hours remaining, 231.960938 MB of memory in use. ENERGY: 1363800 3969.9438 20454.0233 14427.5455 253.6344 -203506.8407 2672.9144 0.0000 0.0000 51971.7687 -109757.0106 298.6825 -161728.7793 -109404.9984 298.7019 197.9477 230.6630 760690.9575 5.5748 5.4631 PRESSURE: 1364000 -45.5893 86.5166 -23.4418 86.517 124.736 25.6419 -23.4423 25.6427 -100.281 GPRESSURE: 1364000 33.52 181.561 -88.6346 195.758 55.1475 63.0115 -10.6592 59.7144 -13.0235 PRESSAVG: 1364000 3.48333 -55.4404 -52.4769 -55.4403 36.1746 61.4803 -52.4769 61.4803 -3.00516 GPRESSAVG: 1364000 3.92943 -54.1858 -51.2263 -53.8415 35.5214 62.4835 -51.9757 60.6131 -2.61041 TIMING: 1364000 CPU: 4379.87, 0.00316762/step Wall: 4379.87, 0.00316762/step, 3.1993 hours remaining, 231.960938 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: 1364000 3867.9624 20482.9755 14414.5444 247.1749 -203348.1972 2535.4642 0.0000 0.0000 52089.6274 -109710.4484 299.3598 -161800.0757 -109346.0261 298.9018 -7.0447 25.2146 762177.7675 12.2176 12.2801 PRESSURE: 1364200 128.176 36.8 -43.3425 36.8005 124.318 -77.5746 -43.342 -77.574 523.978 GPRESSURE: 1364200 189.173 -44.3846 -76.5763 -48.8138 180.279 -97.0916 -122.226 -141.912 510.67 PRESSAVG: 1364200 -34.4912 -30.0902 8.78622 -30.0902 22.7496 -12.6245 8.78614 -12.6246 -10.6154 GPRESSAVG: 1364200 -35.9859 -29.8119 7.57746 -32.5115 24.6591 -14.2017 8.56992 -10.7801 -10.6677 TIMING: 1364200 CPU: 4380.51, 0.00315516/step Wall: 4380.51, 0.00315516/step, 3.18654 hours remaining, 231.960938 MB of memory in use. ENERGY: 1364200 3976.7346 20561.1006 14413.0440 255.5452 -203587.5900 2821.1227 0.0000 0.0000 51841.8455 -109718.1975 297.9358 -161560.0430 -109356.7136 298.7314 258.8244 293.3742 761633.0308 -7.4523 -7.3315 LDB: ============= START OF LOAD BALANCING ============== 4392.93 LDB: ============== END OF LOAD BALANCING =============== 4392.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4392.93 LDB: ============= START OF LOAD BALANCING ============== 4393.25 LDB: Largest compute 7036 load 0.035552 is 18.2% of average load 0.195133 LDB: Average compute 0.004406 is 2.3% of average load 0.195133 LDB: TIME 4393.25 LOAD: AVG 0.195133 MAX 0.212134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.281 MB LDB: TIME 4393.26 LOAD: AVG 0.195133 MAX 0.212134 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.281 MB LDB: TIME 4393.26 LOAD: AVG 0.195133 MAX 0.212134 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.281 MB LDB: ============== END OF LOAD BALANCING =============== 4393.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4393.26 PRESSURE: 1364400 161.733 -28.1519 -28.3092 -28.1525 -25.0823 -25.2622 -28.3088 -25.2636 -199.607 GPRESSURE: 1364400 188.258 80.7724 -43.8832 15.1442 4.11826 34.4411 22.1836 -113.324 -178.405 PRESSAVG: 1364400 20.6219 -10.9264 -38.4326 -10.9264 -26.2072 -8.56544 -38.4326 -8.56537 -7.40265 GPRESSAVG: 1364400 21.3224 -11.792 -38.8883 -10.531 -26.2684 -8.11659 -38.308 -10.6288 -7.78797 TIMING: 1364400 CPU: 4381.16, 0.00325355/step Wall: 4381.16, 0.00325355/step, 3.28572 hours remaining, 232.082031 MB of memory in use. ENERGY: 1364400 4035.4469 20367.3085 14444.8911 253.0020 -203338.3273 2464.4173 0.0000 0.0000 52088.0567 -109685.2048 299.3508 -161773.2615 -109325.1578 298.5474 -20.9856 4.6570 760856.1968 -4.3293 -4.2447 PRESSURE: 1364600 148.792 155.359 -5.56205 155.359 107.355 -23.4237 -5.5624 -23.4236 -13.7674 GPRESSURE: 1364600 98.6768 89.9347 -26.9084 161.689 211.807 -49.3067 -63.4446 120.042 20.7433 PRESSAVG: 1364600 -1.14503 12.5194 13.0786 12.5194 -44.1563 37.4835 13.0786 37.4834 1.50238 GPRESSAVG: 1364600 -1.77893 10.5994 12.8869 14.8493 -44.3137 38.3248 14.0704 39.8185 2.50609 TIMING: 1364600 CPU: 4381.79, 0.00316804/step Wall: 4381.79, 0.00316804/step, 3.19919 hours remaining, 232.339844 MB of memory in use. ENERGY: 1364600 3966.1978 20422.2570 14362.0508 266.6781 -203512.6725 2590.0440 0.0000 0.0000 52000.2283 -109905.2165 298.8460 -161905.4448 -109544.6250 298.9786 80.7932 110.4089 760490.1230 -14.5997 -14.5288 PRESSURE: 1364800 -391.005 -316.405 26.1767 -316.406 -99.4398 128.258 26.1779 128.259 -36.4416 GPRESSURE: 1364800 -330.873 -299.675 33.8633 -233.348 -115.434 139.91 13.5626 125.491 -0.275426 PRESSAVG: 1364800 26.1184 3.34068 0.474586 3.34062 9.7582 60.6438 0.474581 60.6439 7.68177 GPRESSAVG: 1364800 26.9034 2.83708 2.33194 3.00896 9.88055 62.1545 -0.328582 57.3805 6.70453 TIMING: 1364800 CPU: 4382.42, 0.00316578/step Wall: 4382.42, 0.00316578/step, 3.19674 hours remaining, 232.339844 MB of memory in use. ENERGY: 1364800 3931.6648 20491.9395 14398.2212 233.2911 -203009.1324 2240.3223 0.0000 0.0000 51760.0166 -109953.6769 297.4655 -161713.6935 -109581.4838 298.7102 -175.6289 -148.8610 759848.5888 14.5195 14.4962 PRESSURE: 1365000 579.791 -144.716 30.6351 -144.717 -28.0626 121.219 30.6359 121.221 152.429 GPRESSURE: 1365000 523.125 11.7435 -65.7603 -156.907 21.3483 182.526 136.514 -84.8711 212.917 PRESSAVG: 1365000 -20.2037 19.619 -14.6292 19.619 -20.6372 49.0851 -14.6291 49.0851 -4.14964 GPRESSAVG: 1365000 -20.0899 20.9785 -14.9401 19.0647 -20.9262 48.796 -14.8385 50.3554 -3.61943 TIMING: 1365000 CPU: 4383.06, 0.00319039/step Wall: 4383.06, 0.00319039/step, 3.2214 hours remaining, 232.339844 MB of memory in use. ENERGY: 1365000 3902.8508 20591.5086 14429.0437 257.8618 -203718.8655 2769.8550 0.0000 0.0000 51940.6743 -109827.0714 298.5038 -161767.7457 -109466.3476 298.2390 234.7191 252.4635 759221.6829 -14.9968 -14.8785 PRESSURE: 1365200 199.291 166.36 -51.4898 166.36 16.6528 -254.599 -51.4896 -254.598 -153.048 GPRESSURE: 1365200 307.686 145.088 50.1022 12.2233 52.97 -211.134 -220.283 -164.218 -198.213 PRESSAVG: 1365200 26.0775 21.5939 11.8528 21.5938 24.4692 -4.37014 11.8528 -4.37013 -7.81424 GPRESSAVG: 1365200 26.1521 23.7058 12.3458 19.1889 24.2676 -4.70071 12.6952 -1.71786 -7.48706 TIMING: 1365200 CPU: 4383.69, 0.00315558/step Wall: 4383.69, 0.00315558/step, 3.18608 hours remaining, 232.339844 MB of memory in use. ENERGY: 1365200 3995.7421 20417.9651 14429.6210 232.7565 -203473.8973 2591.1019 0.0000 0.0000 51796.4938 -110010.2168 297.6752 -161806.7106 -109664.0658 298.6823 20.9655 54.1477 758339.9253 14.2442 14.3109 PRESSURE: 1365400 -28.6176 7.73107 -26.8331 7.73046 -135.046 -103.921 -26.8335 -103.922 276.337 GPRESSURE: 1365400 59.6456 -69.4501 0.782107 -29.0289 -116.837 -104.704 25.5851 46.5712 275.145 PRESSAVG: 1365400 29.698 15.0953 12.9407 15.0952 -21.4608 -17.73 12.9406 -17.73 -31.3978 GPRESSAVG: 1365400 29.0185 13.1768 12.2816 16.7042 -20.905 -17.7963 13.3014 -19.4131 -32.0845 TIMING: 1365400 CPU: 4384.33, 0.00316922/step Wall: 4384.33, 0.00316922/step, 3.19968 hours remaining, 232.445312 MB of memory in use. ENERGY: 1365400 3990.2753 20305.1600 14423.0584 233.9055 -203275.2937 2315.8466 0.0000 0.0000 51913.7715 -110093.2764 298.3492 -162007.0479 -109725.9257 298.4623 37.5576 72.6513 759987.4052 -7.7202 -7.9903 PRESSURE: 1365600 -145.013 -154.526 221.129 -154.526 104.171 -178.998 221.128 -178.998 200.162 GPRESSURE: 1365600 6.63418 -176.117 207.495 -45.9565 58.8569 -193.336 138.224 -204.885 181.565 PRESSAVG: 1365600 33.5067 -58.8498 45.7776 -58.8498 14.3443 -57.5788 45.7776 -57.5787 -11.2142 GPRESSAVG: 1365600 35.345 -56.0997 45.5051 -58.5475 12.7681 -56.3415 45.8206 -58.9283 -11.2887 TIMING: 1365600 CPU: 4384.97, 0.00320964/step Wall: 4384.97, 0.00320964/step, 3.24031 hours remaining, 232.445312 MB of memory in use. ENERGY: 1365600 4014.8242 20417.7615 14362.7540 229.9540 -203251.6087 2414.4377 0.0000 0.0000 51870.2672 -109941.6102 298.0991 -161811.8774 -109579.9969 298.3898 53.1068 82.3521 761802.2422 12.2123 12.2748 PRESSURE: 1365800 -58.6772 18.0012 141.418 18.0011 25.3417 8.11035 141.417 8.11137 -390.175 GPRESSURE: 1365800 -86.1122 64.2305 128.815 -28.961 139.782 24.2409 136.33 117.124 -389.384 PRESSAVG: 1365800 7.38924 35.2617 -4.23605 35.2617 -3.56573 31.6172 -4.23603 31.6172 -6.09517 GPRESSAVG: 1365800 5.93796 31.3454 -5.10506 34.4989 -2.19255 30.951 -3.20724 32.3906 -5.76329 TIMING: 1365800 CPU: 4385.61, 0.00319979/step Wall: 4385.61, 0.00319979/step, 3.23019 hours remaining, 232.480469 MB of memory in use. ENERGY: 1365800 4014.9859 20516.3892 14334.6811 237.0381 -203313.4830 2253.6595 0.0000 0.0000 51929.9224 -110026.8067 298.4420 -161956.7291 -109673.5231 298.8667 -141.1702 -111.9047 761491.6291 -0.7572 -0.6726 PRESSURE: 1366000 270.302 -154.921 12.1487 -154.92 -208.93 52.8766 12.1485 52.8775 10.5759 GPRESSURE: 1366000 350.01 -128.656 42.3635 -110.595 -186.311 122.253 -35.6627 91.9275 -19.5746 PRESSAVG: 1366000 2.06445 -40.761 -1.59514 -40.761 13.0702 4.02081 -1.59519 4.0208 -0.892535 GPRESSAVG: 1366000 2.06682 -39.7615 1.1046 -39.2357 13.8875 2.22528 -4.02027 5.35391 -1.79739 TIMING: 1366000 CPU: 4386.25, 0.00319014/step Wall: 4386.25, 0.00319014/step, 3.22027 hours remaining, 232.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1366000 3973.8137 20494.8416 14348.7244 229.2790 -203501.0623 2433.6822 0.0000 0.0000 52030.2942 -109990.4271 299.0188 -162020.7214 -109634.0428 297.9531 23.9829 48.0415 760718.4759 4.7474 4.7190 PRESSURE: 1366200 -449.428 -5.81258 -222.397 -5.81236 47.5862 -152.325 -222.397 -152.325 -97.6402 GPRESSURE: 1366200 -352.436 20.2062 -219.903 98.9774 112.277 -123.153 -331.484 -228.484 -157.585 PRESSAVG: 1366200 -14.5744 7.9215 -21.1308 7.92143 -6.52592 -37.1032 -21.1308 -37.1032 27.0315 GPRESSAVG: 1366200 -14.4945 8.92453 -21.9492 5.99978 -6.8985 -36.3966 -20.5587 -37.7041 26.9314 TIMING: 1366200 CPU: 4386.88, 0.00315369/step Wall: 4386.88, 0.00315369/step, 3.1833 hours remaining, 232.480469 MB of memory in use. ENERGY: 1366200 4050.9955 20542.6411 14425.3419 269.0303 -203457.7539 2559.5459 0.0000 0.0000 51720.7356 -109889.4637 297.2398 -161610.1993 -109539.4526 298.3226 -166.4939 -132.5814 757589.3185 1.9771 1.8461 PRESSURE: 1366400 207.532 -208.67 96.7393 -208.671 -87.0638 382.134 96.7392 382.135 31.8844 GPRESSURE: 1366400 168.821 -202.008 53.875 -245.796 -17.3182 354.586 69.8299 274.153 86.7034 PRESSAVG: 1366400 -3.4634 -2.38134 -4.91095 -2.38131 2.60977 1.67331 -4.91099 1.67322 -31.1734 GPRESSAVG: 1366400 -3.04757 -3.889 -5.00945 -1.15778 2.49074 3.22007 -5.65314 0.200009 -31.2253 TIMING: 1366400 CPU: 4387.51, 0.00316911/step Wall: 4387.51, 0.00316911/step, 3.19869 hours remaining, 232.480469 MB of memory in use. ENERGY: 1366400 3982.9106 20446.5166 14408.8175 244.9734 -203357.6433 2423.0738 0.0000 0.0000 52070.8828 -109780.4686 299.2521 -161851.3514 -109433.3617 298.3390 50.7841 79.4021 760805.6433 -10.6757 -10.5940 PRESSURE: 1366600 39.0908 -27.0571 -167.936 -27.0573 -238.924 73.1538 -167.937 73.1542 -104.087 GPRESSURE: 1366600 137.09 -89.219 -93.837 -66.8415 -202.37 37.2951 -197.244 212.389 -159.245 PRESSAVG: 1366600 -9.97732 -52.0975 -13.9511 -52.0975 3.06096 -39.7382 -13.9511 -39.7381 -13.4377 GPRESSAVG: 1366600 -10.0402 -51.459 -13.2925 -53.3291 3.63505 -42.7307 -14.2635 -36.5859 -13.8187 TIMING: 1366600 CPU: 4388.15, 0.00321113/step Wall: 4388.15, 0.00321113/step, 3.24092 hours remaining, 232.550781 MB of memory in use. ENERGY: 1366600 3999.0684 20543.6825 14438.3510 267.0135 -203610.7809 2503.8230 0.0000 0.0000 51903.9108 -109954.9316 298.2925 -161858.8425 -109586.8372 298.5211 -101.3068 -74.8418 762003.2433 -6.7847 -6.7413 PRESSURE: 1366800 325.707 -44.4353 66.3472 -44.4343 -114.433 -137.538 66.347 -137.538 -116.928 GPRESSURE: 1366800 270.949 -60.1612 45.2646 -34.2865 -93.0516 -135.714 92.448 -184.883 10.262 PRESSAVG: 1366800 10.3232 17.9505 53.2867 17.9504 40.8335 -27.462 53.2867 -27.462 2.28775 GPRESSAVG: 1366800 10.0879 17.9286 52.2739 18.2825 40.4721 -25.581 54.6047 -31.9758 2.74492 TIMING: 1366800 CPU: 4388.79, 0.00319153/step Wall: 4388.79, 0.00319153/step, 3.22097 hours remaining, 232.550781 MB of memory in use. ENERGY: 1366800 4034.1001 20507.0308 14448.3641 227.3654 -203168.8718 2469.5344 0.0000 0.0000 51778.4763 -109704.0008 297.5716 -161482.4771 -109344.0499 298.9427 31.4487 62.7199 761591.1091 17.8148 17.7683 PRESSURE: 1367000 -10.9851 -20.2594 -85.8017 -20.2595 104.802 15.1198 -85.8018 15.1196 222.773 GPRESSURE: 1367000 27.7685 -53.4652 -94.0628 25.0686 159.619 -23.115 -155.489 206.673 217.795 PRESSAVG: 1367000 22.9451 38.6176 -36.2436 38.6176 -39.9867 -32.9536 -36.2436 -32.9536 5.04918 GPRESSAVG: 1367000 24.4119 37.2727 -37.9842 41.4296 -40.5834 -32.8491 -35.7965 -31.1871 4.39924 TIMING: 1367000 CPU: 4389.43, 0.00318285/step Wall: 4389.43, 0.00318285/step, 3.21203 hours remaining, 232.550781 MB of memory in use. ENERGY: 1367000 4074.2979 20552.3508 14408.7821 244.6002 -203570.6726 2524.1897 0.0000 0.0000 52324.3007 -109442.1511 300.7085 -161766.4518 -109075.0980 299.3100 105.5301 135.0609 760846.9350 -3.9975 -3.9241 PRESSURE: 1367200 96.5482 5.71003 -43.2934 5.71105 150.022 -197.323 -43.2934 -197.322 -75.389 GPRESSURE: 1367200 40.7379 99.6683 -35.2079 -17.1578 249.48 -192.033 -188.819 -172.11 -29.1444 PRESSAVG: 1367200 28.1786 5.20018 11.8374 5.20024 25.3152 -48.0611 11.8374 -48.0612 3.13228 GPRESSAVG: 1367200 26.9807 6.24402 15.9757 2.99298 26.5794 -48.5218 8.31639 -45.5044 3.85244 TIMING: 1367200 CPU: 4390.07, 0.00319449/step Wall: 4390.07, 0.00319449/step, 3.22359 hours remaining, 232.550781 MB of memory in use. ENERGY: 1367200 3983.3201 20577.9918 14419.7734 234.2180 -203535.3969 2864.0539 0.0000 0.0000 52040.8720 -109415.1677 299.0796 -161456.0397 -109054.1298 299.5651 57.0604 87.0243 759697.2997 18.8754 19.1375 PRESSURE: 1367400 -28.9299 -92.6524 -60.6925 -92.6509 26.7678 -74.1203 -60.6923 -74.121 -207.493 GPRESSURE: 1367400 14.4144 75.8617 -89.3161 53.334 23.8313 -95.7271 -4.45013 13.2463 -151.964 PRESSAVG: 1367400 -21.8894 -6.01115 16.955 -6.01114 -17.4618 18.4919 16.955 18.4918 -17.2794 GPRESSAVG: 1367400 -21.6857 -5.32546 14.3311 -5.91276 -17.2244 19.0768 19.8777 16.975 -17.265 TIMING: 1367400 CPU: 4390.7, 0.00318914/step Wall: 4390.7, 0.00318914/step, 3.21801 hours remaining, 232.550781 MB of memory in use. ENERGY: 1367400 4006.1344 20676.7634 14404.1215 259.1975 -203469.0315 2680.2149 0.0000 0.0000 52105.8878 -109336.7119 299.4533 -161442.5997 -108965.1334 300.1134 -69.8851 -37.9062 760965.8949 -18.8769 -18.7250 PRESSURE: 1367600 -298.231 -129.367 -52.8308 -129.368 -99.7638 -310.516 -52.8308 -310.515 -245.22 GPRESSURE: 1367600 -177.472 -39.1642 -52.2495 -154.654 -105.022 -321.669 -42.2197 -216.987 -268.344 PRESSAVG: 1367600 2.23684 -29.0974 21.431 -29.0975 16.6829 -116.379 21.431 -116.379 -13.6231 GPRESSAVG: 1367600 2.71146 -28.3436 21.545 -27.699 16.4194 -116.265 22.0521 -114.838 -13.963 TIMING: 1367600 CPU: 4391.34, 0.00318388/step Wall: 4391.34, 0.00318388/step, 3.21254 hours remaining, 232.550781 MB of memory in use. ENERGY: 1367600 4014.4582 20440.6961 14374.6954 238.4232 -203557.8634 2628.0837 0.0000 0.0000 52557.9064 -109303.6003 302.0510 -161861.5066 -108936.9971 299.8628 -214.4049 -183.6126 762932.8073 1.7655 1.7226 PRESSURE: 1367800 -307.833 -56.6297 -76.9451 -56.6301 -345.208 183.474 -76.9455 183.474 131.638 GPRESSURE: 1367800 -284.429 -113.034 -30.9799 30.8361 -154.875 185.751 -108.936 193.955 -4.82535 PRESSAVG: 1367800 16.8438 -62.5251 -10.6124 -62.5252 22.2473 -33.1823 -10.6124 -33.1824 0.299568 GPRESSAVG: 1367800 15.4444 -61.9006 -13.0802 -64.4345 23.0003 -32.7878 -9.00565 -34.2753 1.14445 TIMING: 1367800 CPU: 4391.98, 0.00318277/step Wall: 4391.98, 0.00318277/step, 3.21124 hours remaining, 232.550781 MB of memory in use. ENERGY: 1367800 4037.4318 20711.7870 14358.6959 243.0809 -203350.1265 2564.6378 0.0000 0.0000 51994.6899 -109439.8033 298.8142 -161434.4931 -109083.8296 299.9276 -173.8011 -148.0431 762796.6910 13.1302 13.1964 PRESSURE: 1368000 31.2601 184.495 -84.9298 184.494 -111.227 -6.67508 -84.9303 -6.67454 -197.945 GPRESSURE: 1368000 105.092 145.051 -17.7394 -30.4641 -133.072 19.0485 -69.9486 109.719 -176.495 PRESSAVG: 1368000 -12.6565 -4.08925 12.9749 -4.08933 15.1289 4.97836 12.9748 4.97838 22.1401 GPRESSAVG: 1368000 -11.2764 -5.68457 16.5675 -3.8857 14.5328 3.64715 9.89532 5.71126 20.8169 TIMING: 1368000 CPU: 4392.62, 0.00319103/step Wall: 4392.62, 0.00319103/step, 3.21939 hours remaining, 232.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1368000 3985.9152 20550.8348 14459.0077 271.1137 -203150.7510 2308.6862 0.0000 0.0000 52154.8177 -109420.3756 299.7345 -161575.1933 -109058.9627 299.7212 -92.6374 -68.1581 760794.6079 8.2042 8.0244 PRESSURE: 1368200 -287.779 -217.448 43.4938 -217.449 -41.6173 7.85847 43.4938 7.85799 -59.1204 GPRESSURE: 1368200 -207.922 -268.416 7.68901 -264.148 -75.0879 -63.2436 -90.3838 165.749 -11.9906 PRESSAVG: 1368200 9.11124 -70.2738 35.5699 -70.2739 -12.4658 -1.70779 35.57 -1.70779 -1.60229 GPRESSAVG: 1368200 9.06421 -71.3374 33.4304 -70.3219 -13.4853 -1.4757 37.6305 -2.95429 -0.0976821 TIMING: 1368200 CPU: 4393.25, 0.00317369/step Wall: 4393.25, 0.00317369/step, 3.20172 hours remaining, 232.550781 MB of memory in use. ENERGY: 1368200 3982.3144 20493.5628 14352.2624 258.2461 -203166.5773 2521.4794 0.0000 0.0000 52062.0212 -109496.6909 299.2012 -161558.7121 -109127.8850 299.8031 -129.5056 -98.3334 760673.2083 -1.6523 -1.5063 LDB: ============= START OF LOAD BALANCING ============== 4405.68 LDB: ============== END OF LOAD BALANCING =============== 4405.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4405.68 LDB: ============= START OF LOAD BALANCING ============== 4406 LDB: Largest compute 7078 load 0.034116 is 17.5% of average load 0.195217 LDB: Average compute 0.004404 is 2.3% of average load 0.195217 LDB: TIME 4406 LOAD: AVG 0.195217 MAX 0.213962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.586 MB LDB: TIME 4406 LOAD: AVG 0.195217 MAX 0.213962 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: TIME 4406 LOAD: AVG 0.195217 MAX 0.213962 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.789 MB LDB: ============== END OF LOAD BALANCING =============== 4406.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4406.01 PRESSURE: 1368400 22.0721 76.8835 145.23 76.8839 180.186 154.019 145.23 154.017 170.582 GPRESSURE: 1368400 67.4745 73.9885 175.032 65.8002 194.379 120.717 248.4 4.66226 196.87 PRESSAVG: 1368400 31.8079 11.7572 -12.6068 11.7572 -38.1317 -21.7152 -12.6068 -21.7151 15.8126 GPRESSAVG: 1368400 31.155 10.1413 -13.372 13.2611 -37.2848 -20.8617 -13.1448 -20.7325 15.175 TIMING: 1368400 CPU: 4393.9, 0.00326858/step Wall: 4393.9, 0.00326858/step, 3.29727 hours remaining, 233.707031 MB of memory in use. ENERGY: 1368400 3940.0872 20331.6612 14453.6538 241.7070 -203321.3753 2606.6681 0.0000 0.0000 52228.9028 -109518.6953 300.1602 -161747.5980 -109147.7586 299.1997 124.2801 152.9078 761727.5487 3.1630 3.0151 PRESSURE: 1368600 51.9473 -36.3276 112.9 -36.3268 276.429 -87.5578 112.899 -87.5569 -69.4093 GPRESSURE: 1368600 78.6203 -1.55267 116.464 -26.7091 334.924 -112.43 35.6014 -7.90687 -63.4963 PRESSAVG: 1368600 13.8144 36.9958 56.1861 36.9958 -19.6709 46.8583 56.186 46.8583 10.1702 GPRESSAVG: 1368600 14.8156 40.1439 58.3291 35.9285 -20.6748 45.8938 55.7898 46.629 10.7643 TIMING: 1368600 CPU: 4394.54, 0.0031909/step Wall: 4394.54, 0.0031909/step, 3.21873 hours remaining, 233.910156 MB of memory in use. ENERGY: 1368600 3948.4639 20441.4706 14386.2841 257.9113 -203180.8101 2517.6570 0.0000 0.0000 52197.3472 -109431.6761 299.9789 -161629.0233 -109069.6956 299.1537 86.3224 116.6826 761417.9840 1.4379 1.6350 PRESSURE: 1368800 -88.7209 96.2287 140.284 96.2289 -312.557 -183.675 140.285 -183.675 309.473 GPRESSURE: 1368800 -10.645 62.9001 181.556 39.0552 -282.935 -118.872 52.2467 -172.035 278.147 PRESSAVG: 1368800 20.5412 22.8853 36.1431 22.8853 -33.5016 -19.4009 36.1431 -19.401 -7.93748 GPRESSAVG: 1368800 20.1528 20.2632 33.9252 24.7678 -32.5489 -18.446 37.1132 -20.7954 -8.5935 TIMING: 1368800 CPU: 4395.17, 0.0031481/step Wall: 4395.17, 0.0031481/step, 3.17539 hours remaining, 233.910156 MB of memory in use. ENERGY: 1368800 3947.6084 20663.5702 14412.1985 253.8252 -203208.8270 2347.5253 0.0000 0.0000 52171.8809 -109412.2185 299.8325 -161584.0994 -109053.0136 299.9755 -30.6019 -5.1442 761004.7498 -6.9659 -6.9965 PRESSURE: 1369000 297.352 195.805 -47.0632 195.806 38.8034 61.9574 -47.0627 61.9584 280.218 GPRESSURE: 1369000 306.536 117.085 -59.7985 130.096 136.254 69.3064 -130.162 -22.7189 253.426 PRESSAVG: 1369000 14.3409 -21.3421 85.3618 -21.3422 0.455413 -26.7526 85.3618 -26.7525 18.7563 GPRESSAVG: 1369000 14.0857 -18.4738 86.4034 -25.093 -0.282559 -26.2769 84.8255 -24.3299 19.6308 TIMING: 1369000 CPU: 4395.8, 0.00315126/step Wall: 4395.8, 0.00315126/step, 3.17839 hours remaining, 233.910156 MB of memory in use. ENERGY: 1369000 3944.6553 20708.6921 14475.2777 237.7781 -203623.8716 2659.0439 0.0000 0.0000 52170.3411 -109428.0833 299.8237 -161598.4244 -109061.5309 299.7221 205.4581 232.0721 759785.3277 11.1842 11.1446 PRESSURE: 1369200 157.533 23.452 16.5138 23.4516 98.3743 -193.623 16.5148 -193.623 330.666 GPRESSURE: 1369200 256.522 27.505 -31.1966 57.59 177.809 -120.648 115.258 -321.667 248.18 PRESSAVG: 1369200 -8.31085 43.3584 -30.2606 43.3584 37.1314 -28.9288 -30.2607 -28.9288 -1.87323 GPRESSAVG: 1369200 -8.81824 41.8704 -30.2581 44.2314 37.5075 -31.3353 -29.4874 -30.5087 -2.14831 TIMING: 1369200 CPU: 4396.44, 0.00317704/step Wall: 4396.44, 0.00317704/step, 3.20422 hours remaining, 233.910156 MB of memory in use. ENERGY: 1369200 3988.6779 20335.7158 14474.3757 259.0828 -203355.2626 2651.2098 0.0000 0.0000 52164.6363 -109481.5642 299.7909 -161646.2004 -109115.2527 299.4673 195.5245 227.5037 761111.1128 8.9824 8.8470 PRESSURE: 1369400 -0.955881 87.7374 91.0976 87.7366 160.092 74.405 91.0975 74.4054 480.084 GPRESSURE: 1369400 28.2885 65.7926 68.8521 52.8377 193.728 113.371 -46.2575 -45.192 491.847 PRESSAVG: 1369400 -8.46569 -13.0333 -6.10904 -13.0334 18.9546 -41.5928 -6.10906 -41.5929 19.8683 GPRESSAVG: 1369400 -7.39765 -10.9713 -4.81352 -11.629 17.3353 -38.1607 -8.64469 -42.4843 20.0417 TIMING: 1369400 CPU: 4397.07, 0.00314843/step Wall: 4397.07, 0.00314843/step, 3.17519 hours remaining, 233.910156 MB of memory in use. ENERGY: 1369400 3950.4649 20738.3455 14322.3493 272.1755 -203021.5167 2444.6627 0.0000 0.0000 51863.0249 -109430.4938 298.0575 -161293.5187 -109065.5569 299.2921 213.0733 237.9544 760556.3823 10.1191 9.9931 PRESSURE: 1369600 -149.472 158.714 -97.0115 158.713 -163.045 150.182 -97.0111 150.182 -124.423 GPRESSURE: 1369600 -95.8991 125.974 -109.704 211.089 -126.529 101.874 47.4293 129.25 -113.833 PRESSAVG: 1369600 33.7224 28.151 37.6787 28.151 21.7566 -24.1829 37.6787 -24.183 -9.87033 GPRESSAVG: 1369600 32.7741 23.632 38.2514 27.662 22.8305 -26.5992 39.5842 -24.035 -10.2377 TIMING: 1369600 CPU: 4397.7, 0.00316818/step Wall: 4397.7, 0.00316818/step, 3.19493 hours remaining, 233.910156 MB of memory in use. ENERGY: 1369600 3996.7870 20544.4009 14379.7123 258.2576 -202851.5146 2299.7234 0.0000 0.0000 51992.1076 -109380.5258 298.7994 -161372.6334 -109016.7184 299.7126 -145.6467 -112.0869 761282.0175 15.2029 15.1223 PRESSURE: 1369800 -235.099 -42.9493 60.5444 -42.9495 210.027 -50.8082 60.5445 -50.8089 -45.4178 GPRESSURE: 1369800 -121.1 -91.2238 59.2036 -102.24 221.428 -15.2129 127.298 -38.4735 -72.4581 PRESSAVG: 1369800 -21.5061 -47.8348 66.1158 -47.8348 90.975 -4.6737 66.1158 -4.6737 6.64035 GPRESSAVG: 1369800 -20.5557 -42.8173 64.4666 -46.4748 90.2979 -4.87191 69.365 -2.76182 7.04406 TIMING: 1369800 CPU: 4398.33, 0.00314676/step Wall: 4398.33, 0.00314676/step, 3.17316 hours remaining, 233.910156 MB of memory in use. ENERGY: 1369800 4063.3391 20536.6321 14317.6189 240.4235 -203663.2882 2874.0676 0.0000 0.0000 52191.7969 -109439.4102 299.9470 -161631.2071 -109079.3962 299.6956 -23.4964 9.2900 760752.8520 25.3698 25.5954 PRESSURE: 1370000 -284.126 23.7075 273.303 23.7065 -156.871 -170.02 273.304 -170.019 263.489 GPRESSURE: 1370000 -240.532 -66.6469 322.802 -16.0379 -35.7088 -191.609 168.879 -240.646 188.011 PRESSAVG: 1370000 -12.8518 6.42414 71.7605 6.42415 -26.3402 -1.56023 71.7605 -1.56031 26.3251 GPRESSAVG: 1370000 -12.4719 4.96265 72.1637 3.87756 -26.1942 -1.28271 66.302 -2.27109 25.5212 TIMING: 1370000 CPU: 4398.96, 0.0031575/step Wall: 4398.96, 0.0031575/step, 3.18382 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 3931.4284 20547.9075 14351.8589 238.0889 -203495.6733 2661.8399 0.0000 0.0000 52275.6612 -109488.8885 300.4289 -161764.5497 -109122.8228 300.0476 -59.1697 -29.4097 762159.7252 -4.2890 -4.3816 PRESSURE: 1370200 -15.1262 148.191 84.7387 148.191 164.637 92.016 84.7385 92.0164 450.089 GPRESSURE: 1370200 50.0644 215.307 94.4539 35.31 215.428 13.4468 103.297 25.5711 411.704 PRESSAVG: 1370200 -9.75701 4.74683 -3.09503 4.74676 -6.96016 -0.865384 -3.09505 -0.865518 -14.7053 GPRESSAVG: 1370200 -9.35381 3.81506 -3.85089 6.82007 -7.79571 -0.19629 0.680964 -2.22172 -14.1187 TIMING: 1370200 CPU: 4399.6, 0.003169/step Wall: 4399.6, 0.003169/step, 3.19523 hours remaining, 233.910156 MB of memory in use. ENERGY: 1370200 3900.9093 20602.3398 14394.1285 235.2087 -203394.3682 2602.6663 0.0000 0.0000 52223.3753 -109435.7403 300.1285 -161659.1156 -109073.3304 299.6846 199.8666 225.7320 760707.7369 -10.4742 -10.4228 PRESSURE: 1370400 161.227 -108.879 34.7764 -108.879 54.4307 -166.876 34.7761 -166.876 -128.535 GPRESSURE: 1370400 159.012 -45.7439 9.66681 -128.61 193.035 -158.005 142.094 -217.649 -178.85 PRESSAVG: 1370400 49.7791 -1.60658 53.5856 -1.60653 -53.8666 -28.8494 53.5856 -28.8494 -5.88538 GPRESSAVG: 1370400 48.5273 -1.77058 54.326 -2.41655 -53.3223 -28.8316 51.4891 -28.1804 -5.36958 TIMING: 1370400 CPU: 4400.23, 0.00317698/step Wall: 4400.23, 0.00317698/step, 3.2031 hours remaining, 233.910156 MB of memory in use. ENERGY: 1370400 3956.9448 20576.1209 14409.6128 257.3260 -203174.2395 2404.7476 0.0000 0.0000 51929.4229 -109640.0645 298.4391 -161569.4875 -109270.0381 299.3497 29.0407 57.7324 761333.5864 -3.3243 -3.3882 PRESSURE: 1370600 362.238 -27.4123 -144.778 -27.4117 -251.09 -219.234 -144.779 -219.234 167.738 GPRESSURE: 1370600 359.028 -85.0274 -155.495 -21.8394 -200.861 -148.328 -187.895 -120.531 226.245 PRESSAVG: 1370600 15.6419 -59.6619 1.91913 -59.6619 -22.9194 -0.664792 1.91907 -0.664757 2.3545 GPRESSAVG: 1370600 17.1333 -59.0373 0.826175 -59.4295 -22.732 1.22521 2.94056 -1.23828 0.906429 TIMING: 1370600 CPU: 4400.86, 0.00316559/step Wall: 4400.86, 0.00316559/step, 3.19144 hours remaining, 233.910156 MB of memory in use. ENERGY: 1370600 3980.0345 20477.3961 14432.0931 234.4282 -203419.0731 2275.5945 0.0000 0.0000 52223.2363 -109796.2905 300.1277 -162019.5268 -109432.4041 298.9983 92.9619 128.1373 759957.1927 -1.6410 -1.5641 PRESSURE: 1370800 6.73541 132.333 99.2314 132.333 78.8437 -23.5699 99.2307 -23.5703 -176.575 GPRESSURE: 1370800 88.2075 84.881 135.35 47.3062 99.2318 -23.9983 61.4583 -79.7588 -198.09 PRESSAVG: 1370800 86.9378 -12.5382 33.6933 -12.5382 -74.6458 19.8483 33.6932 19.8482 21.7049 GPRESSAVG: 1370800 85.2807 -15.1131 34.1266 -11.6694 -74.0471 17.1865 35.3412 20.7661 22.2878 TIMING: 1370800 CPU: 4401.49, 0.00314717/step Wall: 4401.49, 0.00314717/step, 3.17269 hours remaining, 233.910156 MB of memory in use. ENERGY: 1370800 3952.2671 20598.5307 14401.7915 248.9668 -203334.9961 2478.7453 0.0000 0.0000 51709.2179 -109945.4767 297.1736 -161654.6946 -109586.4721 298.4089 -30.3320 -3.5501 760309.1788 11.3323 11.1738 PRESSURE: 1371000 -264.627 -16.764 65.9368 -16.7637 -546.405 238.877 65.9361 238.875 -207.72 GPRESSURE: 1371000 -209.553 47.2191 129.339 2.07495 -547.618 228.14 129.361 23.9939 -183.649 PRESSAVG: 1371000 22.6843 10.5718 26.4561 10.5718 -43.1772 26.1509 26.4561 26.1509 -28.0946 GPRESSAVG: 1371000 24.5637 13.1845 27.5702 9.88727 -44.5554 26.814 24.2056 25.9672 -28.5007 TIMING: 1371000 CPU: 4402.12, 0.00314586/step Wall: 4402.12, 0.00314587/step, 3.17121 hours remaining, 233.910156 MB of memory in use. ENERGY: 1371000 3966.5095 20484.3909 14449.3880 253.7292 -203372.4864 2249.3404 0.0000 0.0000 52187.6052 -109781.5230 299.9229 -161969.1282 -109413.2086 298.5074 -339.5838 -313.6067 761613.1782 -16.1958 -16.1641 PRESSURE: 1371200 31.0524 115.391 233.873 115.392 194.446 263.272 233.873 263.272 288.19 GPRESSURE: 1371200 93.7744 7.89186 252.348 194.187 185.062 256.957 55.5608 298.51 311.683 PRESSAVG: 1371200 30.6026 15.2469 4.54722 15.2469 -24.4355 13.6651 4.54723 13.6651 -8.28048 GPRESSAVG: 1371200 29.5473 13.7934 3.81596 14.5241 -23.5088 14.7586 5.54876 12.9886 -8.09671 TIMING: 1371200 CPU: 4402.76, 0.00317936/step Wall: 4402.76, 0.00317936/step, 3.20479 hours remaining, 233.910156 MB of memory in use. ENERGY: 1371200 4023.6452 20459.9600 14435.9896 246.1586 -203561.8745 2581.3241 0.0000 0.0000 52033.1409 -109781.6563 299.0352 -161814.7971 -109413.3370 298.9849 171.2295 196.8400 761245.5154 -0.7045 -0.6861 PRESSURE: 1371400 -130.692 14.2899 -104.24 14.2898 323.329 15.3654 -104.24 15.3655 155.713 GPRESSURE: 1371400 -82.0863 2.03686 -104.047 13.7575 355.644 41.6411 63.9949 -8.06476 153.166 PRESSAVG: 1371400 2.1151 47.5936 27.685 47.5935 -16.5077 -3.67688 27.685 -3.67685 19.2541 GPRESSAVG: 1371400 2.14681 48.3521 27.8999 48.5417 -16.9553 -3.94161 27.748 -2.79929 20.1036 TIMING: 1371400 CPU: 4403.38, 0.00312647/step Wall: 4403.38, 0.00312647/step, 3.15131 hours remaining, 233.910156 MB of memory in use. ENERGY: 1371400 3914.8138 20644.7256 14449.2743 253.0563 -203490.1556 2628.9750 0.0000 0.0000 52070.6796 -109528.6311 299.2509 -161599.3107 -109162.8946 299.7872 116.1170 142.2413 761525.7026 1.6205 1.7650 PRESSURE: 1371600 -314.551 -1.03721 -254.43 -1.03648 -145.55 -34.8147 -254.43 -34.815 105.645 GPRESSURE: 1371600 -280.136 92.6344 -87.3582 27.1304 -119.846 20.9597 -218.879 -74.0329 122.307 PRESSAVG: 1371600 10.2507 2.80152 17.9562 2.80154 -3.73786 15.3937 17.9562 15.3936 13.6681 GPRESSAVG: 1371600 10.3675 3.03391 19.8971 2.61156 -3.22517 14.6851 15.7537 14.8463 13.175 TIMING: 1371600 CPU: 4404.02, 0.00317076/step Wall: 4404.02, 0.00317076/step, 3.19577 hours remaining, 233.910156 MB of memory in use. ENERGY: 1371600 4064.6762 20677.1779 14412.7764 245.7536 -203586.0875 2582.5628 0.0000 0.0000 52061.1736 -109541.9670 299.1963 -161603.1406 -109176.5609 299.8354 -118.1518 -92.5587 760929.0607 6.7270 6.7724 PRESSURE: 1371800 -10.9922 41.0342 -15.2997 41.0335 -75.412 -101.39 -15.3003 -101.39 326.376 GPRESSURE: 1371800 11.5222 88.4003 -7.20293 76.5023 -9.11386 -172.468 57.0938 94.7651 320.861 PRESSAVG: 1371800 75.5234 54.2399 -27.4114 54.2399 -95.0493 -0.756085 -27.4114 -0.756082 -5.20024 GPRESSAVG: 1371800 75.6358 53.2527 -30.0837 53.0341 -94.3648 -0.983807 -23.9497 0.0376939 -5.65266 TIMING: 1371800 CPU: 4404.65, 0.00316824/step Wall: 4404.65, 0.00316824/step, 3.19306 hours remaining, 233.910156 MB of memory in use. ENERGY: 1371800 3943.9401 20705.1110 14433.3482 248.9792 -203769.6630 2906.0518 0.0000 0.0000 52020.8919 -109511.3408 298.9648 -161532.2327 -109159.1909 299.3566 79.9907 107.7566 760710.6092 -8.2420 -8.1272 PRESSURE: 1372000 387.797 77.9917 0.192961 77.9915 182.134 -6.29805 0.192732 -6.29851 317.373 GPRESSURE: 1372000 357.282 169.38 -34.3242 147.549 285.322 87.077 7.43278 -98.5029 346.97 PRESSAVG: 1372000 -21.8281 41.4909 -48.6837 41.4909 67.493 -16.1205 -48.6836 -16.1205 9.87895 GPRESSAVG: 1372000 -22.2287 41.9471 -49.4765 42.6307 67.0847 -15.6458 -50.709 -16.6806 10.6172 TIMING: 1372000 CPU: 4405.29, 0.00319057/step Wall: 4405.29, 0.00319057/step, 3.21539 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1372000 3910.9066 20388.9515 14551.4453 251.9851 -203558.5663 2680.0116 0.0000 0.0000 52272.6797 -109502.5864 300.4118 -161775.2661 -109127.4594 299.7788 295.7684 329.8578 759639.8221 18.5146 18.4911 PRESSURE: 1372200 188.87 -57.8173 56.237 -57.8178 2.93672 39.5462 56.2379 39.5475 217.271 GPRESSURE: 1372200 238.072 -89.4881 79.0946 -73.2732 31.6793 74.9183 64.2594 210.806 201.219 PRESSAVG: 1372200 18.6876 22.2104 6.6219 22.2104 -46.082 7.96978 6.62193 7.96978 11.8011 GPRESSAVG: 1372200 18.4717 22.2159 7.40571 21.9524 -45.8451 8.45424 8.53925 9.65973 11.3611 TIMING: 1372200 CPU: 4405.92, 0.00317269/step Wall: 4405.92, 0.00317269/step, 3.19719 hours remaining, 233.910156 MB of memory in use. ENERGY: 1372200 3958.7649 20451.6661 14499.0810 234.3835 -203368.5199 2397.0672 0.0000 0.0000 51987.5330 -109840.0243 298.7731 -161827.5573 -109474.3979 298.8599 136.3594 156.9901 760495.1412 -5.1978 -5.3374 LDB: ============= START OF LOAD BALANCING ============== 4418.35 LDB: ============== END OF LOAD BALANCING =============== 4418.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4418.35 LDB: ============= START OF LOAD BALANCING ============== 4418.67 LDB: Largest compute 7031 load 0.035192 is 18.0% of average load 0.195300 LDB: Average compute 0.004377 is 2.2% of average load 0.195300 LDB: TIME 4418.68 LOAD: AVG 0.1953 MAX 0.212254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.969 MB LDB: TIME 4418.68 LOAD: AVG 0.1953 MAX 0.212254 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.062 MB LDB: TIME 4418.68 LOAD: AVG 0.1953 MAX 0.212254 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.062 MB LDB: ============== END OF LOAD BALANCING =============== 4418.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4418.68 PRESSURE: 1372400 -508.079 186.188 56.6713 186.186 -270.413 -297.46 56.6716 -297.459 -3.01917 GPRESSURE: 1372400 -422.129 185.09 47.9912 257.036 -238.918 -259.274 43.7102 -281.238 -24.2699 PRESSAVG: 1372400 -16.7933 4.74277 -0.302221 4.74279 22.6845 13.035 -0.30211 13.035 0.469441 GPRESSAVG: 1372400 -16.3889 4.56994 0.619231 4.9739 22.3352 12.6783 -3.57434 11.9767 1.01273 TIMING: 1372400 CPU: 4406.58, 0.00326898/step Wall: 4406.58, 0.00326898/step, 3.29405 hours remaining, 231.230469 MB of memory in use. ENERGY: 1372400 3995.1318 20435.7259 14451.0335 235.5682 -203668.8317 2491.7384 0.0000 0.0000 52204.3724 -109855.2615 300.0192 -162059.6339 -109486.6081 298.7738 -260.5037 -228.4389 761601.2831 2.1202 2.3197 PRESSURE: 1372600 -133.807 23.3949 93.7861 23.3948 52.3315 -24.9598 93.7854 -24.9594 -69.6934 GPRESSURE: 1372600 -110.931 23.6423 20.2135 3.51341 77.0912 -34.6554 17.7718 -4.23025 -41.8774 PRESSAVG: 1372600 -20.1625 -28.3471 -14.9169 -28.3471 32.515 -31.8448 -14.9169 -31.8448 13.1226 GPRESSAVG: 1372600 -19.629 -29.2151 -15.3702 -28.1351 31.8892 -31.0976 -13.1808 -32.4953 13.2662 TIMING: 1372600 CPU: 4407.21, 0.00317587/step Wall: 4407.21, 0.00317587/step, 3.20004 hours remaining, 231.371094 MB of memory in use. ENERGY: 1372600 3974.9518 20620.0827 14499.3144 233.7672 -203285.7505 2278.4548 0.0000 0.0000 51759.1394 -109920.0402 297.4605 -161679.1796 -109569.3769 298.6556 -50.3896 -25.2390 760125.1259 8.4917 8.5088 PRESSURE: 1372800 -36.0777 140.652 -19.0683 140.652 191.048 77.8545 -19.0671 77.8551 380.887 GPRESSURE: 1372800 88.0763 125.528 -69.3594 23.3621 143.808 109.198 102.753 57.8808 407.047 PRESSAVG: 1372800 -51.7931 -40.9391 -23.4838 -40.9391 17.7701 -16.0318 -23.4838 -16.0318 -6.56035 GPRESSAVG: 1372800 -51.1275 -40.1825 -23.7548 -41.1793 18.392 -16.6127 -21.0036 -15.2679 -7.32042 TIMING: 1372800 CPU: 4407.85, 0.00317398/step Wall: 4407.85, 0.00317398/step, 3.19796 hours remaining, 231.371094 MB of memory in use. ENERGY: 1372800 3993.2135 20513.0608 14503.8276 240.1207 -203638.3712 2724.3086 0.0000 0.0000 51942.9811 -109720.8590 298.5170 -161663.8400 -109357.5214 298.7855 178.6189 212.9773 760577.8187 -13.5278 -13.3520 PRESSURE: 1373000 -250.729 -92.4458 -95.4423 -92.4466 -173.162 197.252 -95.4416 197.252 -610.877 GPRESSURE: 1373000 -215.188 -51.1703 -10.6682 -44.2213 -119.033 169.417 13.4008 66.6715 -597.452 PRESSAVG: 1373000 -12.8618 -44.6402 38.4472 -44.6402 22.1845 -14.7874 38.4472 -14.7874 3.5664 GPRESSAVG: 1373000 -13.9004 -44.0313 39.9862 -44.1748 22.4876 -13.5482 37.5486 -15.403 4.22761 TIMING: 1373000 CPU: 4408.49, 0.00318519/step Wall: 4408.49, 0.00318519/step, 3.20908 hours remaining, 231.371094 MB of memory in use. ENERGY: 1373000 3993.8793 20435.9205 14448.1726 261.6457 -203150.6641 2223.1643 0.0000 0.0000 52115.9803 -109671.9014 299.5113 -161787.8817 -109301.1559 298.6870 -344.9227 -310.5578 760364.4907 4.2964 4.2716 PRESSURE: 1373200 -194.501 -217.447 136.361 -217.446 -140.426 -3.0865 136.361 -3.08601 -231.58 GPRESSURE: 1373200 -202.699 -237.799 220.691 -85.2606 -94.4599 42.4919 131.778 -39.6378 -180.635 PRESSAVG: 1373200 -35.3836 -4.54821 -24.7721 -4.5482 13.569 -30.2539 -24.7721 -30.2538 -13.7106 GPRESSAVG: 1373200 -34.1832 -4.2623 -26.4775 -4.4604 13.3553 -30.9048 -24.7223 -32.2915 -14.4545 TIMING: 1373200 CPU: 4409.12, 0.0031598/step Wall: 4409.12, 0.0031598/step, 3.18332 hours remaining, 231.371094 MB of memory in use. ENERGY: 1373200 4033.0386 20341.7489 14497.7885 251.6001 -203399.6654 2463.3928 0.0000 0.0000 52018.5406 -109793.5559 298.9513 -161812.0966 -109422.8970 298.5761 -188.8358 -159.2646 760476.7337 -11.8418 -11.7608 PRESSURE: 1373400 -134.18 1.62174 168.451 1.62109 -10.5191 -224.99 168.451 -224.991 -14.1545 GPRESSURE: 1373400 -106.24 44.2612 134.747 -127.521 45.477 -285.815 58.1599 -132.361 -11.1118 PRESSAVG: 1373400 -25.9709 29.6757 -11.8785 29.6757 -6.55856 -3.1639 -11.8784 -3.16393 0.880697 GPRESSAVG: 1373400 -28.2917 31.5155 -11.8306 28.6591 -4.73872 -2.1986 -13.244 -1.57386 1.56695 TIMING: 1373400 CPU: 4409.75, 0.00318226/step Wall: 4409.75, 0.00318226/step, 3.20577 hours remaining, 231.371094 MB of memory in use. ENERGY: 1373400 4077.6911 20446.3299 14367.5592 254.3566 -203218.1063 2441.5704 0.0000 0.0000 52014.5185 -109616.0805 298.9282 -161630.5991 -109250.6289 299.0765 -52.9511 -23.9582 761861.0324 -10.5496 -10.4878 PRESSURE: 1373600 -273.875 177.577 22.2038 177.577 -247.537 -180.371 22.2035 -180.371 -197.436 GPRESSURE: 1373600 -242.172 141.765 20.1243 149.853 -260.503 -111.275 -108.56 -121.683 -133.841 PRESSAVG: 1373600 -16.459 1.36097 38.7546 1.36102 36.5728 -3.73991 38.7547 -3.73993 -1.96514 GPRESSAVG: 1373600 -14.288 1.70813 38.9065 2.07806 34.9403 -5.09786 39.1504 -3.23981 -2.27052 TIMING: 1373600 CPU: 4410.39, 0.00317057/step Wall: 4410.39, 0.00317057/step, 3.19382 hours remaining, 231.371094 MB of memory in use. ENERGY: 1373600 3949.2136 20516.0544 14462.2245 252.5275 -203075.3790 2298.3423 0.0000 0.0000 51965.4342 -109631.5826 298.6461 -161597.0167 -109270.2860 299.4002 -239.6164 -212.1720 763615.0288 6.0495 6.1273 PRESSURE: 1373800 -403.007 -114.547 -88.8186 -114.547 -11.9796 -123.995 -88.819 -123.995 64.6442 GPRESSURE: 1373800 -284.592 -94.2284 -17.0073 -193.59 24.661 -70.783 -297.306 -66.2419 -2.76127 PRESSAVG: 1373800 27.754 10.6149 -24.0895 10.6149 -19.3437 8.00588 -24.0896 8.00582 5.14714 GPRESSAVG: 1373800 26.1338 8.50455 -23.7662 9.84354 -19.0782 8.34678 -23.5402 9.42861 6.11435 TIMING: 1373800 CPU: 4411.02, 0.00317662/step Wall: 4411.02, 0.00317662/step, 3.19973 hours remaining, 231.371094 MB of memory in use. ENERGY: 1373800 4020.9048 20674.9069 14480.4703 237.1701 -203425.1847 2320.3861 0.0000 0.0000 52179.2758 -109512.0708 299.8750 -161691.3466 -109152.2410 299.4111 -116.7807 -87.5640 759158.7204 4.5191 4.3900 PRESSURE: 1374000 -126.547 -81.8545 -63.6579 -81.8552 36.5253 -55.7129 -63.6579 -55.7139 -188.132 GPRESSURE: 1374000 -31.3697 -50.3395 -172.176 -24.9053 65.4965 -12.139 60.8449 46.2595 -220.174 PRESSAVG: 1374000 0.66725 -34.2622 -30.7716 -34.2622 -3.3392 -69.6307 -30.7716 -69.6307 -8.20594 GPRESSAVG: 1374000 2.19341 -34.8356 -30.2611 -31.8847 -2.96686 -68.0065 -31.145 -70.8442 -10.1749 TIMING: 1374000 CPU: 4411.66, 0.00318145/step Wall: 4411.66, 0.00318145/step, 3.20443 hours remaining, 231.371094 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: 1374000 4075.8119 20488.3791 14509.3974 252.3418 -203641.2834 2583.2259 0.0000 0.0000 52299.5923 -109432.5350 300.5665 -161732.1273 -109079.3178 299.4392 -92.7179 -62.0156 759319.1100 -3.6260 -3.6495 PRESSURE: 1374200 110.82 4.92869 -129.459 4.92823 -228.533 253.414 -129.459 253.414 -64.4228 GPRESSURE: 1374200 100.582 0.27561 -105.888 -11.2552 -137.775 188.008 -43.0005 212.219 -71.7523 PRESSAVG: 1374200 -1.0085 -3.34758 -43.3502 -3.34753 -32.1193 -18.6777 -43.3502 -18.6776 0.810493 GPRESSAVG: 1374200 -2.1032 -3.34846 -44.7466 -5.22532 -32.2089 -20.8246 -43.5431 -19.8184 1.83067 TIMING: 1374200 CPU: 4412.29, 0.00315434/step Wall: 4412.29, 0.00315434/step, 3.17695 hours remaining, 231.371094 MB of memory in use. ENERGY: 1374200 3979.1515 20511.9311 14455.8502 253.7362 -203735.0976 2685.6340 0.0000 0.0000 52329.3726 -109519.4220 300.7376 -161848.7946 -109151.5035 299.4890 -60.7121 -36.3149 759762.8837 -10.7724 -10.8271 PRESSURE: 1374400 -334.178 110.018 132.888 110.018 130.328 -294.933 132.888 -294.933 -241.696 GPRESSURE: 1374400 -244.154 85.0047 45.7865 159.302 70.8967 -321.228 170.77 -253.733 -208.842 PRESSAVG: 1374400 19.3108 15.1814 -3.33819 15.1814 -3.89588 1.28242 -3.33812 1.28236 16.5084 GPRESSAVG: 1374400 20.0626 13.9048 -2.96154 14.1698 -4.43742 0.536048 -3.92962 0.953788 15.5279 TIMING: 1374400 CPU: 4412.93, 0.00317587/step Wall: 4412.93, 0.00317587/step, 3.19846 hours remaining, 231.371094 MB of memory in use. ENERGY: 1374400 4017.8599 20515.0787 14402.9761 277.3749 -203149.8876 2170.3811 0.0000 0.0000 52160.8467 -109605.3702 299.7691 -161766.2170 -109243.8797 299.5801 -148.5153 -127.3665 760131.1656 10.6411 10.3844 PRESSURE: 1374600 0.824023 71.063 -30.296 71.0624 10.361 83.0299 -30.2964 83.0288 65.1531 GPRESSURE: 1374600 191.871 110.605 50.8174 92.0119 -63.3439 114.368 12.9964 175.751 8.05735 PRESSAVG: 1374600 49.9282 -7.51829 48.0547 -7.51833 -69.6658 -19.5993 48.0546 -19.5993 -11.9341 GPRESSAVG: 1374600 49.5633 -6.56961 50.3816 -6.03163 -70.9985 -17.68 49.0837 -19.9075 -10.5818 TIMING: 1374600 CPU: 4413.56, 0.00314822/step Wall: 4413.56, 0.00314822/step, 3.17043 hours remaining, 231.371094 MB of memory in use. ENERGY: 1374600 4036.6378 20529.5190 14509.3911 243.7550 -203663.1468 2779.7924 0.0000 0.0000 52099.4290 -109464.6227 299.4161 -161564.0517 -109107.5033 299.6237 25.4460 45.5282 759483.3339 -10.5572 -10.6724 PRESSURE: 1374800 52.1344 -67.3412 35.0341 -67.3416 -92.6924 302.708 35.0337 302.709 -44.3794 GPRESSURE: 1374800 -28.5906 -100.099 -25.5119 58.5049 31.3626 256.216 13.8773 293.722 11.0773 PRESSAVG: 1374800 -40.5387 16.2512 -17.658 16.2512 13.6199 -45.3089 -17.658 -45.3089 -12.513 GPRESSAVG: 1374800 -39.085 15.1547 -21.0512 16.2286 13.5603 -46.0072 -16.264 -44.0283 -13.2535 TIMING: 1374800 CPU: 4414.18, 0.00313892/step Wall: 4414.18, 0.00313892/step, 3.1609 hours remaining, 231.371094 MB of memory in use. ENERGY: 1374800 3987.5667 20452.5682 14384.8959 245.1018 -203783.2914 2603.1024 0.0000 0.0000 52427.0864 -109682.9701 301.2992 -162110.0565 -109316.1043 299.5071 -28.3125 4.6164 760806.4886 -13.1439 -12.9261 PRESSURE: 1375000 -141.726 159.028 56.9068 159.029 -109.376 198.739 56.9059 198.74 254.459 GPRESSURE: 1375000 -119.01 159.15 106.408 177.68 -25.5036 119.925 -70.6723 66.0482 234.096 PRESSAVG: 1375000 39.9013 36.3958 18.0868 36.3958 5.59037 -47.73 18.0868 -47.7301 -7.64283 GPRESSAVG: 1375000 36.7912 36.9001 20.0701 36.2166 6.9603 -47.8872 16.7981 -48.3647 -6.43998 TIMING: 1375000 CPU: 4414.81, 0.00314326/step Wall: 4414.81, 0.00314326/step, 3.16509 hours remaining, 231.371094 MB of memory in use. ENERGY: 1375000 4056.1063 20424.4268 14453.7963 258.1550 -203566.7132 2665.1845 0.0000 0.0000 52021.6866 -109687.3577 298.9693 -161709.0443 -109323.1935 299.2830 1.1190 29.8606 760491.4179 12.6163 12.4372 PRESSURE: 1375200 5.1503 9.30092 127.912 9.30158 186.361 25.7395 127.912 25.7399 56.0331 GPRESSURE: 1375200 49.0129 86.3398 72.2113 -73.6088 183.497 -8.4551 135.971 -181.377 106.263 PRESSAVG: 1375200 -29.684 19.4897 -10.0563 19.4897 11.0713 -24.7763 -10.0563 -24.7762 -6.75873 GPRESSAVG: 1375200 -28.2983 19.7202 -10.1121 20.0175 10.8678 -23.2972 -10.4497 -26.905 -7.77762 TIMING: 1375200 CPU: 4415.44, 0.00314839/step Wall: 4415.44, 0.00314839/step, 3.17008 hours remaining, 231.371094 MB of memory in use. ENERGY: 1375200 3956.1772 20529.1847 14433.7590 227.3527 -203340.8615 2523.6964 0.0000 0.0000 52210.8457 -109459.8458 300.0564 -161670.6916 -109104.9055 299.3843 82.5148 112.9243 760117.2644 -8.4571 -8.4027 PRESSURE: 1375400 439.004 -139.933 140.968 -139.934 -107.98 -88.4927 140.969 -88.4937 -244.717 GPRESSURE: 1375400 400.387 -101.844 139.722 -192.879 -87.1764 -140.085 244.146 -123.749 -139.837 PRESSAVG: 1375400 50.4093 -55.5267 -11.0803 -55.5267 -15.9212 -29.9197 -11.0802 -29.9197 22.0503 GPRESSAVG: 1375400 50.0547 -52.2288 -10.9932 -58.2122 -16.9008 -30.8241 -11.1874 -28.4343 23.2153 TIMING: 1375400 CPU: 4416.07, 0.00315311/step Wall: 4416.07, 0.00315311/step, 3.17466 hours remaining, 231.371094 MB of memory in use. ENERGY: 1375400 4021.3485 20564.6836 14430.8203 259.8146 -203671.1318 2677.8392 0.0000 0.0000 52108.0295 -109608.5962 299.4656 -161716.6257 -109245.4357 299.6723 28.7690 57.7910 760676.5856 18.8461 18.7897 PRESSURE: 1375600 -266.711 -225.427 40.0299 -225.428 -345.123 42.1722 40.0308 42.1723 23.6495 GPRESSURE: 1375600 -228.814 -176.339 -27.2974 -74.6953 -300.033 91.9362 -67.8122 -55.8495 22.4007 PRESSAVG: 1375600 11.3592 -3.51918 28.6387 -3.51928 -33.7512 32.4463 28.6387 32.4462 -30.3577 GPRESSAVG: 1375600 11.2737 -7.38697 28.4713 -0.9323 -32.622 32.6207 29.7071 33.5558 -31.6108 TIMING: 1375600 CPU: 4416.7, 0.00315994/step Wall: 4416.7, 0.00315994/step, 3.18136 hours remaining, 231.371094 MB of memory in use. ENERGY: 1375600 3925.0907 20582.9106 14495.5527 255.8290 -203398.0428 2119.1923 0.0000 0.0000 52174.2524 -109845.2151 299.8461 -162019.4675 -109474.8995 298.9557 -196.0614 -168.8154 760471.4445 -17.5832 -17.6530 PRESSURE: 1375800 -176.001 -24.7344 5.61895 -24.7351 -269.6 12.0212 5.61917 12.0208 -104.834 GPRESSURE: 1375800 -125.599 -26.9937 62.2291 -8.81365 -304.397 71.246 -29.0979 48.0981 -39.3015 PRESSAVG: 1375800 37.1773 -17.8333 5.29381 -17.8333 -51.1335 11.0746 5.29378 11.0746 -11.6004 GPRESSAVG: 1375800 37.643 -15.3279 5.51458 -20.1937 -52.0733 11.4477 4.19963 10.857 -11.2909 TIMING: 1375800 CPU: 4417.34, 0.00317865/step Wall: 4417.34, 0.00317865/step, 3.20002 hours remaining, 231.371094 MB of memory in use. ENERGY: 1375800 4037.5499 20454.4897 14425.8603 237.7702 -203611.9764 2578.1791 0.0000 0.0000 51892.0029 -109986.1242 298.2241 -161878.1271 -109626.6470 298.7975 -183.4785 -156.4326 760154.1412 -8.5189 -8.5737 PRESSURE: 1376000 250.875 -89.5866 -170.064 -89.5866 85.512 9.28493 -170.064 9.28474 194.74 GPRESSURE: 1376000 297.714 -221.162 -220.743 -35.2459 50.5296 -26.8035 -226.868 -119.2 275.706 PRESSAVG: 1376000 30.7528 -36.5995 -14.152 -36.5995 -49.9192 -15.6252 -14.152 -15.6252 -1.69025 GPRESSAVG: 1376000 30.1509 -39.931 -15.2485 -34.0638 -50.1882 -15.3079 -13.1122 -16.1796 -1.0755 TIMING: 1376000 CPU: 4417.97, 0.00317293/step Wall: 4417.97, 0.00317293/step, 3.19408 hours remaining, 231.371094 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: 1376000 3938.4881 20508.8931 14507.0018 240.3610 -203560.4989 2595.8134 0.0000 0.0000 51927.3262 -109842.6152 298.4271 -161769.9414 -109490.0757 298.6294 177.0424 207.9832 759802.3933 -6.9522 -7.0376 PRESSURE: 1376200 -332.234 -256.295 -59.4128 -256.294 -21.9789 -10.4148 -59.4134 -10.4153 -218.211 GPRESSURE: 1376200 -312.891 -220.107 106.063 -263.76 -40.0415 -22.1862 -45.9946 49.4838 -162.807 PRESSAVG: 1376200 6.72329 -13.6086 -17.9952 -13.6087 -50.7667 -14.5427 -17.9951 -14.5427 23.7447 GPRESSAVG: 1376200 5.90723 -11.5565 -16.5794 -13.4136 -49.1227 -15.7822 -19.6844 -12.7225 23.1126 TIMING: 1376200 CPU: 4418.6, 0.0031462/step Wall: 4418.6, 0.0031462/step, 3.167 hours remaining, 231.371094 MB of memory in use. ENERGY: 1376200 4025.1289 20613.1595 14439.7573 237.1806 -203987.5176 2649.1152 0.0000 0.0000 51958.8779 -110064.2982 298.6084 -162023.1761 -109711.5538 298.6034 -190.8079 -171.9132 760055.5637 -6.7662 -6.7010 LDB: ============= START OF LOAD BALANCING ============== 4431.02 LDB: ============== END OF LOAD BALANCING =============== 4431.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4431.03 LDB: ============= START OF LOAD BALANCING ============== 4431.34 LDB: Largest compute 7031 load 0.033068 is 16.9% of average load 0.195212 LDB: Average compute 0.004376 is 2.2% of average load 0.195212 LDB: TIME 4431.35 LOAD: AVG 0.195212 MAX 0.214747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.359 MB LDB: TIME 4431.35 LOAD: AVG 0.195212 MAX 0.214747 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: TIME 4431.35 LOAD: AVG 0.195212 MAX 0.214747 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: ============== END OF LOAD BALANCING =============== 4431.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4431.35 PRESSURE: 1376400 -332.943 -26.1873 128.887 -26.1873 179.8 -140.88 128.887 -140.881 227.793 GPRESSURE: 1376400 -210.486 -116.985 78.1742 -18.3468 222.423 -178.372 27.0649 -166.514 117.717 PRESSAVG: 1376400 -9.84216 -4.62439 -27.5803 -4.62433 -9.32283 -44.4287 -27.5803 -44.4287 -10.7031 GPRESSAVG: 1376400 -9.11123 -4.53194 -26.7904 -6.17715 -9.68318 -43.9135 -26.6147 -45.7687 -11.3407 TIMING: 1376400 CPU: 4419.25, 0.00322441/step Wall: 4419.25, 0.00322441/step, 3.24555 hours remaining, 231.312500 MB of memory in use. ENERGY: 1376400 3991.4817 20565.1649 14421.2492 237.5682 -203779.8111 2628.7752 0.0000 0.0000 51988.4268 -109947.1451 298.7782 -161935.5719 -109578.0916 298.4863 24.8834 43.2180 759495.9590 -9.9560 -10.0450 PRESSURE: 1376600 -304.238 -213.173 -72.9778 -213.172 -215.145 -11.9714 -72.9782 -11.9717 76.9837 GPRESSURE: 1376600 -273.831 -150.11 16.3582 -256.12 -113.534 -70.0313 -11.5439 55.2623 30.6816 PRESSAVG: 1376600 28.8668 -64.0748 -21.444 -64.0747 -14.2713 -26.6306 -21.4439 -26.6306 -2.49598 GPRESSAVG: 1376600 28.9746 -63.1471 -22.3891 -64.7206 -16.0751 -26.7935 -19.5946 -27.1617 -2.3792 TIMING: 1376600 CPU: 4419.88, 0.00315902/step Wall: 4419.88, 0.00315902/step, 3.17955 hours remaining, 231.511719 MB of memory in use. ENERGY: 1376600 4053.0744 20470.2679 14486.8994 246.1291 -203581.5679 2389.2879 0.0000 0.0000 51992.5834 -109943.3256 298.8021 -161935.9091 -109583.2169 298.7070 -147.4664 -118.8948 760457.0612 4.0332 3.5068 PRESSURE: 1376800 -87.4905 -141.187 43.0388 -141.187 203.247 378.362 43.0391 378.361 159.568 GPRESSURE: 1376800 47.7681 -77.8245 47.3767 -109.689 237.149 344.754 8.27811 246.846 88.1324 PRESSAVG: 1376800 -0.933066 -11.1615 -26.8188 -11.1615 -31.4266 -2.96453 -26.8188 -2.96459 16.8587 GPRESSAVG: 1376800 -2.01732 -10.4583 -26.5092 -11.8094 -29.6365 -3.1033 -29.4854 -2.98549 16.3459 TIMING: 1376800 CPU: 4420.51, 0.003149/step Wall: 4420.51, 0.003149/step, 3.1693 hours remaining, 231.511719 MB of memory in use. ENERGY: 1376800 3962.9949 20447.8682 14557.8179 248.1411 -204083.7486 2895.7596 0.0000 0.0000 52064.9396 -109906.2273 299.2179 -161971.1670 -109550.9313 298.6524 91.7748 124.3498 759989.6876 -5.1670 -5.1026 PRESSURE: 1377000 161.61 31.6823 1.51378 31.6817 295.111 -91.1841 1.5152 -91.1857 5.64023 GPRESSURE: 1377000 208.537 -44.5489 -69.1934 -6.9284 271.808 -106.607 85.7806 -70.8824 72.3008 PRESSAVG: 1377000 83.5568 20.1614 74.0918 20.1614 -21.8988 -22.8427 74.0918 -22.8426 21.1938 GPRESSAVG: 1377000 83.5088 20.0332 72.273 20.876 -22.7827 -22.8458 76.3815 -21.7244 22.0457 TIMING: 1377000 CPU: 4421.14, 0.00316805/step Wall: 4421.14, 0.00316804/step, 3.18828 hours remaining, 231.511719 MB of memory in use. ENERGY: 1377000 3935.3613 20648.2894 14458.7469 243.4559 -204008.5873 2584.8123 0.0000 0.0000 52233.2874 -109904.6342 300.1854 -162137.9216 -109545.5820 299.2237 154.1204 184.2153 758678.6008 27.6173 27.5906 PRESSURE: 1377200 -59.3699 -264.522 -138.101 -264.522 -378.254 109.519 -138.101 109.519 -341.783 GPRESSURE: 1377200 -54.328 -196.213 -87.7533 -156.397 -261.175 69.8325 -57.4904 184.738 -381.015 PRESSAVG: 1377200 30.2543 -4.2789 16.0035 -4.27888 -2.74268 -15.2924 16.0035 -15.2923 -16.6598 GPRESSAVG: 1377200 29.7365 -6.46644 17.5019 -1.84268 -1.00625 -16.2936 13.2359 -14.8031 -17.8684 TIMING: 1377200 CPU: 4421.77, 0.00315152/step Wall: 4421.77, 0.00315152/step, 3.17148 hours remaining, 231.511719 MB of memory in use. ENERGY: 1377200 4050.2618 20361.4422 14458.1709 227.3953 -203205.0151 2033.4577 0.0000 0.0000 52154.5874 -109919.6998 299.7331 -162074.2872 -109544.0976 299.0712 -259.8023 -232.1729 760968.8472 3.6173 3.6206 PRESSURE: 1377400 279.539 -90.1929 150.967 -90.1931 294.337 83.8283 150.968 83.8291 -41.117 GPRESSURE: 1377400 255.733 -33.7279 55.3654 -59.0125 316.871 -5.87965 196.278 70.7064 31.5529 PRESSAVG: 1377400 0.554983 14.0704 -11.2451 14.0705 7.84544 26.9042 -11.2451 26.9042 4.37565 GPRESSAVG: 1377400 -0.477797 14.9632 -11.4029 12.7981 8.09134 29.012 -10.4129 25.0178 5.16384 TIMING: 1377400 CPU: 4422.41, 0.00316246/step Wall: 4422.41, 0.00316246/step, 3.18232 hours remaining, 231.511719 MB of memory in use. ENERGY: 1377400 3964.3135 20498.5513 14491.2443 236.1351 -204091.8198 2921.8340 0.0000 0.0000 51976.2358 -110003.5058 298.7081 -161979.7416 -109649.8759 298.5858 177.5866 201.3858 760544.3266 4.2587 4.2591 PRESSURE: 1377600 157.066 177.149 183.593 177.149 -35.4312 -235.765 183.593 -235.765 -249.35 GPRESSURE: 1377600 114.828 190.061 101.152 77.163 86.2676 -259.635 50.8612 -126.157 -226.57 PRESSAVG: 1377600 20.4059 -32.5361 -35.589 -32.5361 0.222268 -19.5589 -35.589 -19.5589 -8.29945 GPRESSAVG: 1377600 21.1178 -31.4381 -35.0954 -36.7262 -0.119747 -20.8017 -37.1025 -17.1917 -8.16138 TIMING: 1377600 CPU: 4423.04, 0.00315733/step Wall: 4423.04, 0.00315733/step, 3.17697 hours remaining, 231.511719 MB of memory in use. ENERGY: 1377600 3996.4314 20559.4891 14390.6031 235.0851 -203769.7110 2500.9566 0.0000 0.0000 51966.4446 -110120.7011 298.6519 -162087.1457 -109770.1176 298.7221 -42.5716 -8.4915 760080.2107 4.1096 4.2789 PRESSURE: 1377800 -110.369 24.9777 -386.167 24.9782 214.471 243.168 -386.166 243.168 -36.0434 GPRESSURE: 1377800 -111.202 35.5389 -389.222 16.6147 232.707 389.627 -214.108 234.86 18.4511 PRESSAVG: 1377800 28.6258 -66.6983 -18.3843 -66.6983 -13.2355 -3.24926 -18.3843 -3.24922 0.290747 GPRESSAVG: 1377800 29.5269 -68.6813 -19.0464 -61.7178 -14.9092 -2.01384 -18.9021 -5.89606 0.658001 TIMING: 1377800 CPU: 4423.67, 0.00317183/step Wall: 4423.67, 0.00317183/step, 3.19139 hours remaining, 231.511719 MB of memory in use. ENERGY: 1377800 4029.3616 20369.2418 14410.0434 223.4216 -203549.2755 2582.8356 0.0000 0.0000 51930.0632 -110004.3082 298.4428 -161934.3714 -109635.0609 298.6206 22.6863 46.6521 761457.8528 5.2270 5.0919 PRESSURE: 1378000 73.805 -59.4925 82.4161 -59.4921 42.7188 113.134 82.416 113.134 -372.35 GPRESSURE: 1378000 99.1391 -5.41868 88.8568 -200.159 60.6405 162.403 83.2262 133.617 -347.563 PRESSAVG: 1378000 -24.9434 -5.8088 4.72531 -5.8088 94.1473 -3.76483 4.72534 -3.76483 -7.87167 GPRESSAVG: 1378000 -25.2517 -4.43726 5.06449 -8.51523 93.9828 -4.65011 5.47543 -3.8413 -7.92493 TIMING: 1378000 CPU: 4424.3, 0.00316129/step Wall: 4424.3, 0.00316129/step, 3.18061 hours remaining, 231.511719 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: 1378000 3980.3369 20435.2537 14482.6380 237.0828 -203204.4541 2438.7888 0.0000 0.0000 51896.9294 -109733.4245 298.2524 -161630.3538 -109374.9363 299.1863 -85.2754 -62.5945 760942.7381 20.4441 20.2687 PRESSURE: 1378200 -45.6748 -137.388 -69.8025 -137.388 -302.96 96.832 -69.8026 96.8316 -95.3034 GPRESSURE: 1378200 42.8291 -72.3815 -36.9089 -63.7031 -363.002 135.883 -105.435 93.7877 -41.3233 PRESSAVG: 1378200 33.7644 7.47299 -35.7192 7.47296 -55.2651 -55.1939 -35.7193 -55.1939 1.67981 GPRESSAVG: 1378200 34.0736 6.98159 -35.6758 8.57333 -54.572 -55.9675 -34.054 -52.4258 1.13223 TIMING: 1378200 CPU: 4424.93, 0.00313797/step Wall: 4424.93, 0.00313797/step, 3.15697 hours remaining, 231.511719 MB of memory in use. ENERGY: 1378200 4024.7069 20470.7397 14440.6569 246.1139 -203579.0089 2555.8646 0.0000 0.0000 52112.8397 -109728.0872 299.4932 -161840.9269 -109360.0397 298.9794 -147.9793 -120.4986 761667.3020 -6.6069 -6.4554 PRESSURE: 1378400 167.189 102.901 202.863 102.899 166.48 -145.345 202.864 -145.345 -153.754 GPRESSURE: 1378400 171.479 54.2647 247.822 199.665 211.898 -260.547 96.3678 -98.1572 -122.654 PRESSAVG: 1378400 14.5696 57.889 5.42063 57.8889 -68.0561 -21.3737 5.42066 -21.3736 10.2276 GPRESSAVG: 1378400 14.1965 59.3401 4.5729 60.0509 -67.4299 -20.8012 2.76647 -21.9124 10.0711 TIMING: 1378400 CPU: 4425.56, 0.00311665/step Wall: 4425.56, 0.00311665/step, 3.13535 hours remaining, 231.511719 MB of memory in use. ENERGY: 1378400 4008.7679 20641.8157 14450.1285 250.4588 -203742.1921 2943.8231 0.0000 0.0000 51793.7628 -109653.4353 297.6595 -161447.1981 -109306.9517 299.1569 59.9718 86.9077 760758.5977 -14.4197 -14.3875 PRESSURE: 1378600 384.94 136.462 -15.7004 136.463 39.2353 -146.424 -15.7003 -146.423 -212.237 GPRESSURE: 1378600 356.548 82.3288 -14.8631 54.2201 120.179 -145.587 -119.741 -87.7831 -174.848 PRESSAVG: 1378600 59.0567 76.8242 47.0798 76.8243 -31.6601 1.21817 47.0798 1.21817 2.33823 GPRESSAVG: 1378600 58.385 73.9705 46.7347 74.2541 -31.8272 1.20833 48.2754 -2.15462 3.33946 TIMING: 1378600 CPU: 4426.18, 0.00313867/step Wall: 4426.18, 0.00313867/step, 3.15733 hours remaining, 231.511719 MB of memory in use. ENERGY: 1378600 3953.3972 20433.5248 14458.5597 247.4929 -203293.4664 2762.4577 0.0000 0.0000 51927.5151 -109510.5190 298.4281 -161438.0341 -109151.0206 298.9202 70.6460 100.6262 761530.8061 9.9116 9.9658 PRESSURE: 1378800 -46.4318 -125.384 -80.603 -125.384 268.558 94.5865 -80.6025 94.5878 -203.088 GPRESSURE: 1378800 14.9153 -29.9762 -20.583 -133.962 276.767 3.7821 -93.5734 66.5573 -166.005 PRESSAVG: 1378800 44.956 -48.0766 -4.86484 -48.0767 -12.6407 -13.3325 -4.86486 -13.3324 -23.5305 GPRESSAVG: 1378800 45.6287 -47.5614 -4.06308 -45.1862 -12.5793 -15.1154 -2.76831 -11.5798 -23.9992 TIMING: 1378800 CPU: 4426.81, 0.00315242/step Wall: 4426.81, 0.00315242/step, 3.17099 hours remaining, 231.511719 MB of memory in use. ENERGY: 1378800 4038.4784 20453.8438 14484.6519 251.0872 -203728.4165 2784.6010 0.0000 0.0000 52131.9177 -109583.8365 299.6028 -161715.7542 -109215.9281 299.3347 6.3460 41.8924 760459.2373 2.9283 3.0168 PRESSURE: 1379000 -42.295 97.58 -22.1868 97.5806 -5.55273 -197.505 -22.1864 -197.504 -51.5149 GPRESSURE: 1379000 52.5386 111.218 -65.8511 123.366 10.8976 -187.143 -101.635 -230.475 -77.4288 PRESSAVG: 1379000 9.85969 -10.7136 11.5411 -10.7136 -15.5689 -85.907 11.5411 -85.907 11.0577 GPRESSAVG: 1379000 9.56982 -8.98128 12.2542 -12.2152 -15.7005 -85.8406 10.6136 -83.4306 11.6966 TIMING: 1379000 CPU: 4427.45, 0.00316896/step Wall: 4427.45, 0.00316896/step, 3.18745 hours remaining, 231.511719 MB of memory in use. ENERGY: 1379000 4046.7939 20412.4257 14505.5883 239.6835 -203125.6465 2180.6119 0.0000 0.0000 52036.3557 -109704.1875 299.0537 -161740.5433 -109341.3808 299.3618 -33.1209 -4.6642 759533.9466 1.7828 1.8553 PRESSURE: 1379200 116.576 -295.194 -339.019 -295.194 106.012 -51.0668 -339.019 -51.066 -206.729 GPRESSURE: 1379200 103.244 -280.673 -300.832 -226.624 144.858 -42.3345 -165.538 -55.5851 -170.612 PRESSAVG: 1379200 18.5107 27.8296 -57.3159 27.8296 -42.4778 -22.8929 -57.316 -22.8928 5.97617 GPRESSAVG: 1379200 18.0853 25.5633 -56.8795 28.9206 -41.8253 -21.33 -58.9694 -26.5486 5.95832 TIMING: 1379200 CPU: 4428.08, 0.00316743/step Wall: 4428.08, 0.00316743/step, 3.18573 hours remaining, 231.511719 MB of memory in use. ENERGY: 1379200 3977.7623 20542.0482 14338.5069 253.8546 -203639.1997 2856.7705 0.0000 0.0000 52006.2642 -109663.9930 298.8807 -161670.2572 -109299.6409 299.1738 5.2864 25.8299 760464.8049 -5.9970 -5.9272 PRESSURE: 1379400 -210.827 -24.9011 -63.9182 -24.9012 -104.237 145.731 -63.9181 145.732 57.1221 GPRESSURE: 1379400 -167.498 8.09467 -70.0578 -5.23427 -57.2267 131.505 -112.984 157.752 55.7534 PRESSAVG: 1379400 -2.39582 -24.1602 -45.7403 -24.1603 -23.9189 32.2132 -45.7403 32.2133 -22.2294 GPRESSAVG: 1379400 -2.55975 -22.9741 -47.2696 -24.0061 -23.844 32.6848 -46.936 34.1745 -21.9593 TIMING: 1379400 CPU: 4428.71, 0.00315275/step Wall: 4428.71, 0.00315275/step, 3.17079 hours remaining, 231.511719 MB of memory in use. ENERGY: 1379400 3926.9882 20500.5886 14426.6084 263.7742 -203526.4462 2563.9492 0.0000 0.0000 52065.9311 -109778.6065 299.2236 -161844.5375 -109410.9369 298.9901 -85.9807 -56.3237 761976.8494 -16.1814 -16.1210 PRESSURE: 1379600 -212.799 -52.6845 -66.5798 -52.684 -337.989 95.1057 -66.5797 95.105 -150.41 GPRESSURE: 1379600 -220.795 40.9383 -54.699 -153.515 -304.891 100.349 -4.90563 122.455 -63.8137 PRESSAVG: 1379600 28.5046 2.45909 -13.0037 2.45908 -5.883 22.2359 -13.0036 22.2359 -7.95108 GPRESSAVG: 1379600 28.6278 2.45068 -12.0484 1.30698 -5.09573 22.4356 -12.4829 20.7407 -8.65705 TIMING: 1379600 CPU: 4429.35, 0.00318576/step Wall: 4429.35, 0.00318576/step, 3.20381 hours remaining, 231.511719 MB of memory in use. ENERGY: 1379600 4010.6831 20546.4264 14504.1442 254.9227 -203488.0756 2402.6607 0.0000 0.0000 52003.5600 -109765.6785 298.8652 -161769.2385 -109404.6644 298.8111 -233.7327 -196.5000 760663.9203 4.8902 4.9583 PRESSURE: 1379800 10.443 -40.2339 113.531 -40.2342 27.9397 77.2096 113.532 77.2097 -160.527 GPRESSURE: 1379800 63.1492 -159.79 126.375 -76.0463 -5.55732 70.4814 -13.0986 17.1652 -99.577 PRESSAVG: 1379800 112.848 -24.3984 -34.4134 -24.3984 -96.555 3.41036 -34.4135 3.41031 -1.1059 GPRESSAVG: 1379800 113.641 -21.8711 -33.9107 -25.8259 -98.0633 2.99514 -34.8253 4.76473 -0.564743 TIMING: 1379800 CPU: 4429.98, 0.00316593/step Wall: 4429.98, 0.00316593/step, 3.18369 hours remaining, 231.511719 MB of memory in use. ENERGY: 1379800 3929.3304 20442.5187 14488.6428 270.6120 -203184.6467 2260.2087 0.0000 0.0000 51949.5707 -109843.7635 298.5549 -161793.3341 -109481.0802 298.3214 -40.7146 -13.9951 760740.1824 5.0622 5.0043 PRESSURE: 1380000 -335.749 -149.904 -72.141 -149.904 -400.308 -74.0475 -72.1401 -74.0484 -396.698 GPRESSURE: 1380000 -273.997 -106.616 -48.6445 -118.703 -382.756 -115.42 -77.9942 -133.194 -405.761 PRESSAVG: 1380000 49.2951 -45.9058 -47.6414 -45.9058 -38.0133 30.4228 -47.6413 30.4228 18.1628 GPRESSAVG: 1380000 48.4048 -47.2072 -47.0994 -44.535 -37.6437 29.8581 -46.858 30.1354 18.8229 TIMING: 1380000 CPU: 4430.61, 0.00315852/step Wall: 4430.61, 0.00315852/step, 3.17607 hours remaining, 231.511719 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: 1380000 4017.3848 20508.6066 14336.5589 242.9879 -203187.4980 2234.0155 0.0000 0.0000 52110.6549 -109737.2894 299.4806 -161847.9442 -109369.6675 298.5313 -377.5849 -354.1715 761855.1519 9.8149 9.8613 PRESSURE: 1380200 34.5764 92.4248 -230.451 92.4251 -387.432 -98.9422 -230.451 -98.9437 -400.212 GPRESSURE: 1380200 -26.2645 4.92766 -130.707 -35.9965 -268.122 -43.7614 -119.375 -43.3563 -379.765 PRESSAVG: 1380200 79.5631 44.7959 -34.0251 44.7958 -33.6176 -11.2191 -34.0251 -11.2191 21.6967 GPRESSAVG: 1380200 80.1306 44.1978 -35.9412 43.9456 -33.8993 -10.8358 -31.2522 -11.0633 21.2354 TIMING: 1380200 CPU: 4431.25, 0.00315859/step Wall: 4431.25, 0.00315859/step, 3.17596 hours remaining, 231.511719 MB of memory in use. ENERGY: 1380200 4014.2891 20507.7124 14476.4678 249.9813 -203279.3601 2401.9248 0.0000 0.0000 51914.0459 -109714.9389 298.3507 -161628.9848 -109363.9082 298.7880 -251.0227 -224.7169 761606.5765 22.5474 22.4889 LDB: ============= START OF LOAD BALANCING ============== 4443.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4443.67 LDB: =============== DONE WITH MIGRATION ================ 4443.67 LDB: ============= START OF LOAD BALANCING ============== 4443.99 LDB: Largest compute 7065 load 0.032625 is 16.7% of average load 0.195223 LDB: Average compute 0.004394 is 2.3% of average load 0.195223 LDB: TIME 4443.99 LOAD: AVG 0.195223 MAX 0.216048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.801 MB LDB: TIME 4443.99 LOAD: AVG 0.195223 MAX 0.216048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: TIME 4443.99 LOAD: AVG 0.195223 MAX 0.216048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: ============== END OF LOAD BALANCING =============== 4443.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4444 PRESSURE: 1380400 51.3736 -61.1417 -14.5425 -61.1413 210.019 -140.232 -14.5416 -140.232 216.756 GPRESSURE: 1380400 90.625 -10.6967 -30.6199 -68.2055 285.474 -139.263 -97.3859 -73.6455 196.217 PRESSAVG: 1380400 -5.82395 -32.7246 -13.4464 -32.7245 -4.18925 -11.7484 -13.4465 -11.7484 14.1907 GPRESSAVG: 1380400 -6.83294 -33.8666 -13.6368 -33.071 -3.06221 -12.0784 -16.9572 -12.908 13.5803 TIMING: 1380400 CPU: 4431.89, 0.00322513/step Wall: 4431.89, 0.00322513/step, 3.24269 hours remaining, 231.312500 MB of memory in use. ENERGY: 1380400 3970.4894 20476.7976 14464.4874 256.6241 -203630.1434 2748.4690 0.0000 0.0000 52055.8388 -109657.4371 299.1656 -161713.2759 -109294.8172 298.6030 159.3831 190.7721 760274.8244 1.3925 1.2284 PRESSURE: 1380600 -89.3917 -155.727 -70.8573 -155.726 -27.6959 59.5766 -70.8572 59.5768 0.00786517 GPRESSURE: 1380600 -9.64431 -171.612 -144.908 -51.5264 -51.3838 12.0545 -165.715 -11.9402 35.6848 PRESSAVG: 1380600 -36.9571 -55.769 -18.5553 -55.769 43.7629 -34.8867 -18.5553 -34.8867 -14.9333 GPRESSAVG: 1380600 -35.8931 -55.052 -17.9549 -55.0858 42.7641 -34.6465 -18.1361 -35.2712 -14.7745 TIMING: 1380600 CPU: 4432.53, 0.00318182/step Wall: 4432.53, 0.00318182/step, 3.19896 hours remaining, 231.312500 MB of memory in use. ENERGY: 1380600 3991.3745 20594.3665 14346.2689 244.9921 -203133.2222 2384.8190 0.0000 0.0000 51796.0625 -109775.3387 297.6727 -161571.4012 -109418.3409 298.5714 -39.0266 -8.4478 762291.8301 -2.7092 -2.6345 PRESSURE: 1380800 -88.3178 -65.6649 -38.1763 -65.6643 17.6953 37.2211 -38.1756 37.2218 -473.289 GPRESSURE: 1380800 -60.2272 -166.022 -10.5962 -106.535 56.3905 -41.6654 109.934 46.321 -437.622 PRESSAVG: 1380800 -35.8549 -62.1211 -10.6185 -62.1211 17.6928 4.17908 -10.6185 4.1792 -5.49604 GPRESSAVG: 1380800 -38.4076 -62.9023 -12.3442 -60.6636 18.5598 4.11938 -7.99756 3.0949 -4.11523 TIMING: 1380800 CPU: 4433.16, 0.00317559/step Wall: 4433.16, 0.00317559/step, 3.19252 hours remaining, 231.312500 MB of memory in use. ENERGY: 1380800 4049.9684 20464.2297 14384.8704 230.5488 -203548.4883 2668.7360 0.0000 0.0000 52001.8247 -109748.3104 298.8552 -161750.1351 -109386.9161 299.0636 -181.3037 -147.1529 762575.7555 -7.8861 -7.9876 PRESSURE: 1381000 -159.159 -122.949 -13.7266 -122.95 -189.616 -153.703 -13.7264 -153.703 37.7173 GPRESSURE: 1381000 -180.983 -208.007 -15.6574 -146.929 -193.859 -179.762 0.999285 -204.648 137.504 PRESSAVG: 1381000 -19.4075 -48.3904 -10.6661 -48.3904 37.6221 -0.893751 -10.6661 -0.893663 7.29702 GPRESSAVG: 1381000 -16.8547 -47.3978 -9.11767 -48.2104 35.5083 -1.46559 -13.6645 -0.0654033 7.15615 TIMING: 1381000 CPU: 4433.8, 0.00319309/step Wall: 4433.8, 0.00319309/step, 3.20995 hours remaining, 231.312500 MB of memory in use. ENERGY: 1381000 4000.2134 20568.7196 14436.1099 238.6105 -203630.7743 2584.4754 0.0000 0.0000 51996.5978 -109806.0478 298.8252 -161802.6456 -109449.3348 298.4872 -103.6860 -79.1124 761422.4713 8.5039 8.6033 PRESSURE: 1381200 -355.454 10.5143 71.1812 10.5144 -139.794 2.74919 71.1806 2.74897 322.62 GPRESSURE: 1381200 -284.092 -48.0544 117.14 37.1218 -80.7133 6.22908 38.7072 -64.8143 255.561 PRESSAVG: 1381200 -27.4427 -12.1107 35.2344 -12.1106 11.2836 -1.56414 35.2344 -1.56418 -21.5413 GPRESSAVG: 1381200 -29.531 -15.2425 36.3581 -10.313 12.882 -1.20268 36.5764 -2.7993 -21.2739 TIMING: 1381200 CPU: 4434.44, 0.00319331/step Wall: 4434.44, 0.00319331/step, 3.20999 hours remaining, 231.312500 MB of memory in use. ENERGY: 1381200 3958.1833 20481.7529 14438.2620 245.8122 -203242.4432 2359.9050 0.0000 0.0000 51889.6544 -109868.8735 298.2106 -161758.5279 -109498.2335 298.3993 -57.5426 -36.4148 760668.5339 -12.5668 -12.6410 PRESSURE: 1381400 142.745 -46.2976 -94.1597 -46.2975 -16.3313 -124.765 -94.1595 -124.765 -132.725 GPRESSURE: 1381400 201.779 -126.552 -99.2081 24.122 8.74955 -135.086 -92.656 -6.69881 -114.032 PRESSAVG: 1381400 9.49283 45.525 11.2634 45.525 29.8864 9.63129 11.2635 9.63135 18.9332 GPRESSAVG: 1381400 10.5902 48.0922 11.0573 41.0389 28.826 11.0695 9.57271 11.6901 18.617 TIMING: 1381400 CPU: 4435.08, 0.00319119/step Wall: 4435.08, 0.00319119/step, 3.20768 hours remaining, 231.312500 MB of memory in use. ENERGY: 1381400 3976.0584 20324.4767 14466.7667 263.8261 -203373.6039 2570.7875 0.0000 0.0000 52074.2119 -109697.4767 299.2712 -161771.6885 -109334.2034 298.6334 -2.1038 32.1655 760103.0810 19.4375 19.3444 PRESSURE: 1381600 -413.498 -14.9753 132.692 -14.9758 -423.106 157.84 132.692 157.84 -296.561 GPRESSURE: 1381600 -395.761 77.0457 115.324 73.1592 -399.333 130.219 113.72 34.9328 -255.706 PRESSAVG: 1381600 -62.6553 2.11853 -13.5684 2.1185 71.3381 -30.4871 -13.5684 -30.487 -12.1988 GPRESSAVG: 1381600 -62.4144 0.216728 -12.7892 3.4411 70.7283 -34.2476 -11.8471 -29.8826 -11.4336 TIMING: 1381600 CPU: 4435.72, 0.00322629/step Wall: 4435.72, 0.00322629/step, 3.24278 hours remaining, 231.312500 MB of memory in use. ENERGY: 1381600 4075.2525 20360.4552 14417.1573 247.3689 -202909.3589 2070.6491 0.0000 0.0000 51834.7829 -109903.6930 297.8952 -161738.4760 -109548.3278 298.5298 -377.7220 -350.2666 761939.4192 -1.1720 -1.0399 PRESSURE: 1381800 114.526 47.4178 161.79 47.4179 16.3438 -60.1474 161.791 -60.1474 372.694 GPRESSURE: 1381800 115.364 -1.07826 53.2344 142.93 49.5819 -24.5026 163.996 -58.6873 415.657 PRESSAVG: 1381800 -48.9645 18.5644 -3.63208 18.5643 -21.3432 -20.5214 -3.6321 -20.5213 4.26049 GPRESSAVG: 1381800 -48.7788 22.09 -5.02034 16.3262 -19.7151 -17.8935 -4.91878 -22.3413 3.03571 TIMING: 1381800 CPU: 4436.35, 0.00315538/step Wall: 4436.35, 0.00315538/step, 3.17133 hours remaining, 231.312500 MB of memory in use. ENERGY: 1381800 4002.9707 20478.7682 14504.6914 236.0760 -203481.1141 2581.7875 0.0000 0.0000 51803.6955 -109873.1248 297.7166 -161676.8204 -109507.7185 297.9850 167.8545 193.5343 760770.1450 -22.0157 -21.8194 PRESSURE: 1382000 205.019 -110.73 48.6069 -110.73 115.031 -108.147 48.6078 -108.148 469.819 GPRESSURE: 1382000 230.989 -85.3791 1.43361 -83.1073 184.29 -144.46 68.547 -33.2444 461.354 PRESSAVG: 1382000 31.5437 -39.958 4.2498 -39.958 7.99463 22.6482 4.24974 22.6484 20.1387 GPRESSAVG: 1382000 31.9811 -44.6592 5.242 -36.2011 5.95274 19.728 5.33589 23.3685 21.3823 TIMING: 1382000 CPU: 4436.99, 0.00316463/step Wall: 4436.99, 0.00316463/step, 3.18046 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1382000 3948.6939 20492.7237 14433.4394 256.7806 -203523.9645 2523.4312 0.0000 0.0000 52245.6923 -109623.2034 300.2567 -161868.8957 -109258.5774 298.4123 263.2899 292.2108 759178.8617 19.8924 19.7721 PRESSURE: 1382200 -236.161 90.7165 114.467 90.7158 -309.949 188.013 114.467 188.014 119.072 GPRESSURE: 1382200 -211.525 26.7701 63.4207 15.7005 -208.357 256.642 71.6759 88.0228 70.9387 PRESSAVG: 1382200 -45.3354 -56.376 18.6996 -56.3759 -26.346 22.5561 18.6997 22.5561 -0.716487 GPRESSAVG: 1382200 -46.3736 -54.8069 17.2186 -58.5777 -23.1185 25.3314 19.6682 23.3457 -2.87496 TIMING: 1382200 CPU: 4437.62, 0.00317558/step Wall: 4437.62, 0.00317558/step, 3.19128 hours remaining, 231.312500 MB of memory in use. ENERGY: 1382200 3955.6932 20465.1888 14376.3210 226.1176 -203332.1300 2627.7741 0.0000 0.0000 51937.9272 -109743.1083 298.4880 -161681.0354 -109376.4886 298.8581 -142.3459 -116.3144 760895.6414 -24.1326 -24.1224 PRESSURE: 1382400 56.1052 -159.143 -183.914 -159.142 -67.0523 -9.97598 -183.913 -9.97592 -130.224 GPRESSURE: 1382400 101.224 -145.159 -131.017 -132.379 -34.6109 -90.5654 -252.38 22.8661 -135.506 PRESSAVG: 1382400 32.9319 -45.8573 28.291 -45.8573 -17.8785 31.6542 28.2909 31.6542 -2.87679 GPRESSAVG: 1382400 32.6111 -44.2405 28.9317 -45.7345 -18.7967 29.4897 28.6847 30.8129 -1.33481 TIMING: 1382400 CPU: 4438.26, 0.00319886/step Wall: 4438.26, 0.00319886/step, 3.2145 hours remaining, 231.312500 MB of memory in use. ENERGY: 1382400 4044.8759 20442.3045 14428.9817 248.9260 -203083.7173 2366.2438 0.0000 0.0000 51931.7322 -109620.6531 298.4524 -161552.3854 -109262.4559 298.5710 -47.0572 -22.9642 758619.0420 4.0589 4.1599 PRESSURE: 1382600 -55.5269 -94.8154 274.3 -94.8152 -140.393 -148.902 274.301 -148.903 -224.19 GPRESSURE: 1382600 -39.3596 -172.033 239.536 41.3216 -30.0541 -154.826 252.794 -76.5894 -262.247 PRESSAVG: 1382600 -41.3571 8.92809 43.0752 8.92807 27.3393 -7.01815 43.0752 -7.01815 -4.09681 GPRESSAVG: 1382600 -40.6251 9.57666 42.0175 8.45363 27.0356 -6.91937 42.5565 -6.62724 -4.0388 TIMING: 1382600 CPU: 4438.9, 0.00318953/step Wall: 4438.9, 0.00318953/step, 3.20494 hours remaining, 231.312500 MB of memory in use. ENERGY: 1382600 4036.2622 20330.9488 14464.5112 243.0438 -203539.1820 2505.3369 0.0000 0.0000 52183.0690 -109776.0100 299.8968 -161959.0790 -109411.4822 299.5082 -140.0366 -110.5534 759529.7685 -6.0382 -5.8761 PRESSURE: 1382800 -124.083 -66.0587 57.9867 -66.0585 -124.631 -49.7087 57.9865 -49.7077 -329.303 GPRESSURE: 1382800 -76.5545 -63.6514 65.9599 -71.4438 -135.833 -66.4452 -108.916 -13.0544 -272.74 PRESSAVG: 1382800 -6.23471 30.5652 42.6054 30.5652 16.2749 -45.8732 42.6054 -45.8732 -26.1366 GPRESSAVG: 1382800 -6.33024 32.2696 43.1495 29.7606 16.4255 -43.8106 38.3698 -45.4418 -25.897 TIMING: 1382800 CPU: 4439.54, 0.0032087/step Wall: 4439.54, 0.0032087/step, 3.22403 hours remaining, 231.312500 MB of memory in use. ENERGY: 1382800 4039.8958 20605.3157 14449.3707 247.5411 -203117.6202 2164.2600 0.0000 0.0000 51635.6978 -109975.5391 296.7511 -161611.2368 -109621.5178 298.2165 -192.6723 -161.7089 759924.6246 -5.3655 -5.2672 PRESSURE: 1383000 244.843 -48.8574 -179.167 -48.8571 13.3495 25.3647 -179.168 25.3634 68.1377 GPRESSURE: 1383000 288.963 -58.3015 -155.552 -117.224 15.7044 43.3806 -178.334 107.134 94.9119 PRESSAVG: 1383000 18.1913 -19.9015 35.5604 -19.9015 -11.8842 -7.86888 35.5603 -7.86887 -7.09845 GPRESSAVG: 1383000 19.3316 -22.2588 34.628 -20.2656 -12.6285 -8.10795 40.0275 -7.98274 -7.80542 TIMING: 1383000 CPU: 4440.18, 0.00321078/step Wall: 4440.18, 0.00321078/step, 3.22594 hours remaining, 231.312500 MB of memory in use. ENERGY: 1383000 3998.6591 20375.5527 14493.0659 247.2349 -203368.6658 2262.9641 0.0000 0.0000 52174.3376 -109816.8515 299.8466 -161991.1891 -109446.1487 298.4863 108.7769 133.1930 758965.9466 -0.2638 -0.3675 PRESSURE: 1383200 -156.86 -70.459 117.679 -70.4593 -315.38 173.854 117.678 173.855 -84.3771 GPRESSURE: 1383200 -135.123 18.0744 82.4243 20.2858 -276.926 136.63 155.457 71.9243 -64.4805 PRESSAVG: 1383200 40.5883 -49.4149 -40.7388 -49.4148 -0.682515 41.1301 -40.7388 41.1302 -2.39577 GPRESSAVG: 1383200 38.4375 -49.6692 -41.101 -48.0422 0.0980133 41.435 -41.312 40.2799 -1.66908 TIMING: 1383200 CPU: 4440.82, 0.00320333/step Wall: 4440.82, 0.00320333/step, 3.21828 hours remaining, 231.312500 MB of memory in use. ENERGY: 1383200 4056.4695 20549.4867 14489.7327 215.4493 -203014.5036 2310.5273 0.0000 0.0000 51754.2139 -109638.6242 297.4322 -161392.8381 -109281.7073 298.8828 -185.5390 -158.8433 760264.6060 12.5034 12.2888 PRESSURE: 1383400 -380.49 69.7803 54.8156 69.7798 -71.1672 81.6956 54.8153 81.6965 -194.1 GPRESSURE: 1383400 -296.902 -11.2255 13.4902 -0.529615 -6.45479 53.1223 122.71 -18.901 -265.864 PRESSAVG: 1383400 -24.0986 -20.7355 89.8124 -20.7355 -1.72414 10.2121 89.8125 10.212 -14.4668 GPRESSAVG: 1383400 -22.1436 -19.8294 90.7258 -19.797 -3.0895 8.98339 90.631 10.9999 -14.9093 TIMING: 1383400 CPU: 4441.47, 0.00323125/step Wall: 4441.47, 0.00323125/step, 3.24615 hours remaining, 231.312500 MB of memory in use. ENERGY: 1383400 4075.2480 20392.6570 14374.7542 254.3329 -203543.4601 2589.5788 0.0000 0.0000 52078.6217 -109778.2673 299.2966 -161856.8890 -109414.2215 299.2777 -215.2525 -189.7405 759100.2774 -13.4299 -13.3808 PRESSURE: 1383600 -60.638 -63.2899 -172.454 -63.2895 -293.602 -281.377 -172.455 -281.376 422.589 GPRESSURE: 1383600 -3.33219 -67.0881 -157.091 -18.632 -257.36 -219.842 -237.705 -218.527 416.526 PRESSAVG: 1383600 0.324156 2.90958 20.9044 2.90962 -44.5822 -26.6511 20.9043 -26.6511 24.1904 GPRESSAVG: 1383600 -1.15049 4.05551 22.2679 1.48423 -43.8641 -25.0067 17.2348 -26.3302 25.056 TIMING: 1383600 CPU: 4442.11, 0.00318832/step Wall: 4442.11, 0.00318832/step, 3.20284 hours remaining, 231.312500 MB of memory in use. ENERGY: 1383600 3911.4496 20551.0346 14437.4107 246.4734 -202714.8276 2297.3281 0.0000 0.0000 51667.1318 -109603.9994 296.9317 -161271.1312 -109249.2135 299.0461 22.7830 51.9447 759924.4959 -6.6892 -6.6529 PRESSURE: 1383800 318.677 -81.7935 -6.05759 -81.7933 100.403 43.0911 -6.05665 43.0915 -144.017 GPRESSURE: 1383800 417.87 -80.8018 -20.7863 -53.0861 83.8718 10.3603 67.5852 78.9848 -117.168 PRESSAVG: 1383800 12.8218 5.12034 23.353 5.12029 -4.46122 41.4151 23.353 41.4151 -18.3377 GPRESSAVG: 1383800 13.1297 4.70052 23.8173 2.85509 -3.80346 41.7352 24.2357 41.2517 -19.2347 TIMING: 1383800 CPU: 4442.75, 0.00318992/step Wall: 4442.75, 0.00318992/step, 3.20427 hours remaining, 231.312500 MB of memory in use. ENERGY: 1383800 3978.7489 20459.9197 14454.4864 236.0687 -203228.3027 2642.2799 0.0000 0.0000 51928.7520 -109528.0471 298.4353 -161456.7991 -109167.8146 299.1031 91.6876 128.1913 760040.5503 -3.3257 -3.3028 PRESSURE: 1384000 -313.861 86.6852 177.16 86.6866 -294.242 309.496 177.16 309.496 -583.927 GPRESSURE: 1384000 -285.24 49.3705 161.451 -11.1059 -349.136 248.187 127.974 128.094 -460.909 PRESSAVG: 1384000 34.422 -48.9504 31.1661 -48.9504 -31.8777 14.8992 31.1661 14.8992 -0.602467 GPRESSAVG: 1384000 33.325 -48.9901 29.9095 -46.9665 -32.2383 13.7988 33.2975 15.1808 0.979951 TIMING: 1384000 CPU: 4443.38, 0.00317103/step Wall: 4443.38, 0.00317103/step, 3.18513 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1384000 3953.6856 20445.8831 14411.9034 250.0450 -203065.4956 2351.1353 0.0000 0.0000 52212.6772 -109440.1659 300.0670 -161652.8431 -109075.6885 299.1375 -397.3432 -365.0950 759967.4127 0.6473 0.6889 PRESSURE: 1384200 544.839 -60.8523 -64.1268 -60.8529 133.443 33.499 -64.1259 33.4994 93.3243 GPRESSURE: 1384200 537.117 -112.764 -115.805 -65.026 237.139 -20.8121 -51.7999 -12.8373 89.7318 PRESSAVG: 1384200 6.74996 -15.2085 59.1063 -15.2085 -3.59681 63.3798 59.1062 63.3799 1.8602 GPRESSAVG: 1384200 7.42911 -15.7024 58.9557 -13.9838 -2.8794 62.6622 57.3931 63.704 0.655599 TIMING: 1384200 CPU: 4444.01, 0.00315422/step Wall: 4444.01, 0.00315422/step, 3.16807 hours remaining, 231.312500 MB of memory in use. ENERGY: 1384200 3951.7987 20389.1849 14431.2722 234.6994 -203252.5344 2619.2477 0.0000 0.0000 52194.1522 -109432.1792 299.9605 -161626.3314 -109060.8866 299.3779 257.2021 287.9960 759838.9989 1.6711 1.7351 LDB: ============= START OF LOAD BALANCING ============== 4456.43 LDB: ============== END OF LOAD BALANCING =============== 4456.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4456.44 LDB: ============= START OF LOAD BALANCING ============== 4456.75 LDB: Largest compute 7037 load 0.033955 is 17.4% of average load 0.195340 LDB: Average compute 0.004391 is 2.2% of average load 0.195340 LDB: TIME 4456.76 LOAD: AVG 0.19534 MAX 0.215673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4456.76 LOAD: AVG 0.19534 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: TIME 4456.76 LOAD: AVG 0.19534 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.641 MB LDB: ============== END OF LOAD BALANCING =============== 4456.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4456.76 PRESSURE: 1384400 2.12285 -30.8086 -331.467 -30.8089 -456.494 -165.468 -331.467 -165.469 159.151 GPRESSURE: 1384400 -50.5959 25.8145 -331.753 124.933 -299.713 -152.985 -30.1133 -102.623 150.542 PRESSAVG: 1384400 32.5224 37.4325 10.9708 37.4325 -35.7874 26.3721 10.9708 26.372 5.04873 GPRESSAVG: 1384400 33.6627 37.0777 13.1605 37.2793 -36.8082 26.3193 13.8617 25.565 4.98944 TIMING: 1384400 CPU: 4444.66, 0.00322958/step Wall: 4444.66, 0.00322958/step, 3.24357 hours remaining, 230.085938 MB of memory in use. ENERGY: 1384400 4004.2868 20536.3265 14407.2165 245.9172 -203449.3199 2606.6363 0.0000 0.0000 52056.5950 -109592.3415 299.1700 -161648.9366 -109228.6792 299.4854 -98.4065 -66.5890 759309.4761 0.5946 0.6146 PRESSURE: 1384600 212.775 -245.381 -95.7884 -245.381 -292.33 150.493 -95.7892 150.493 -71.1801 GPRESSURE: 1384600 201.914 -132.968 -24.3671 -87.207 -240.147 110.819 -75.8162 236.692 -40.5825 PRESSAVG: 1384600 59.0129 9.16244 31.3073 9.16244 -75.2837 -50.3915 31.3073 -50.3916 -4.60299 GPRESSAVG: 1384600 58.3521 9.24211 30.996 9.2496 -74.6045 -50.1613 29.0868 -50.6564 -4.83229 TIMING: 1384600 CPU: 4445.28, 0.00312937/step Wall: 4445.28, 0.00312937/step, 3.14276 hours remaining, 230.085938 MB of memory in use. ENERGY: 1384600 4000.2734 20381.6932 14431.1268 240.4402 -203151.1008 2404.6575 0.0000 0.0000 51923.3154 -109769.5942 298.4040 -161692.9096 -109411.2681 298.8709 -50.2452 -26.2718 759709.1056 -6.9580 -7.0282 PRESSURE: 1384800 -208.454 -21.0922 -98.0603 -21.0926 -120.161 45.8682 -98.0601 45.8682 -377.035 GPRESSURE: 1384800 -137.247 -154.858 -162.332 -88.4972 -143.617 14.4263 -175.283 25.3843 -338.47 PRESSAVG: 1384800 44.5182 23.7253 43.1372 23.7253 -4.71897 -16.4391 43.1372 -16.439 8.24303 GPRESSAVG: 1384800 46.0976 23.1481 42.2008 22.9756 -5.73508 -16.5617 41.0687 -15.9354 8.127 TIMING: 1384800 CPU: 4445.91, 0.00315382/step Wall: 4445.91, 0.00315382/step, 3.16713 hours remaining, 230.085938 MB of memory in use. ENERGY: 1384800 4013.1103 20538.6039 14469.4782 242.2352 -202937.6537 2041.9184 0.0000 0.0000 51758.3543 -109873.9534 297.4560 -161632.3077 -109517.0706 298.5095 -235.2168 -206.4448 759587.3070 16.0141 16.1632 PRESSURE: 1385000 152.584 -129.188 -3.29357 -129.188 0.201829 82.9125 -3.29305 82.9135 -27.7935 GPRESSURE: 1385000 147.146 -147.103 -17.5996 -140.852 91.246 111.342 61.8275 28.1132 -22.2236 PRESSAVG: 1385000 20.6871 15.7036 18.2522 15.7036 25.841 -64.7274 18.2522 -64.7274 -9.81149 GPRESSAVG: 1385000 19.4866 16.4646 19.0245 13.7227 25.7941 -64.1051 19.3562 -66.535 -8.6742 TIMING: 1385000 CPU: 4446.54, 0.00314977/step Wall: 4446.54, 0.00314977/step, 3.16289 hours remaining, 230.085938 MB of memory in use. ENERGY: 1385000 3966.4073 20501.7044 14427.3466 245.6029 -203290.9252 2383.6230 0.0000 0.0000 51952.7142 -109813.5267 298.5730 -161766.2409 -109456.4750 298.4577 41.6641 72.0563 758624.7725 12.2389 12.2022 PRESSURE: 1385200 244.029 309.24 -72.1325 309.24 89.5128 164.474 -72.1323 164.474 12.3671 GPRESSURE: 1385200 286.777 383.029 -25.3885 262.883 123.999 136.652 -44.4822 111.968 12.0549 PRESSAVG: 1385200 22.3276 69.0973 -23.4193 69.0973 -9.99138 -20.6117 -23.4192 -20.6117 -18.7693 GPRESSAVG: 1385200 21.9459 68.0907 -23.5881 70.3997 -9.43075 -22.6791 -22.4273 -17.9273 -18.8206 TIMING: 1385200 CPU: 4447.17, 0.0031387/step Wall: 4447.17, 0.0031387/step, 3.1516 hours remaining, 230.085938 MB of memory in use. ENERGY: 1385200 4043.2726 20390.0313 14450.3464 238.7823 -203376.3647 2537.4475 0.0000 0.0000 51977.8265 -109738.6583 298.7173 -161716.4848 -109379.1796 298.7935 115.3028 140.9434 760271.7000 -2.1443 -2.1018 PRESSURE: 1385400 -72.1551 9.53451 129.659 9.53477 -2.94881 -163.585 129.659 -163.586 99.6559 GPRESSURE: 1385400 -24.8654 -21.0873 107.836 88.3981 5.46006 -95.5948 21.6316 -47.9504 125.35 PRESSAVG: 1385400 -62.9301 59.2253 -16.2828 59.2253 22.8812 -67.0155 -16.2828 -67.0155 -33.2968 GPRESSAVG: 1385400 -63.0634 60.1576 -16.7009 59.3101 23.3834 -65.4339 -17.8789 -68.4322 -33.433 TIMING: 1385400 CPU: 4447.8, 0.00315104/step Wall: 4447.8, 0.00315104/step, 3.16381 hours remaining, 230.085938 MB of memory in use. ENERGY: 1385400 3890.2705 20470.2376 14418.2111 242.0164 -203442.8206 2503.7195 0.0000 0.0000 52098.7531 -109819.6123 299.4123 -161918.3654 -109461.3213 299.0921 8.1840 35.3149 759246.5337 -24.4486 -24.3710 PRESSURE: 1385600 -98.9915 138.753 -51.8882 138.753 -195.012 -121.63 -51.8871 -121.63 -58.7547 GPRESSURE: 1385600 -54.9974 182.455 -82.6293 130.862 -189.644 -165.847 -31.3905 -32.3426 -13.8371 PRESSAVG: 1385600 31.9579 37.2649 16.9166 37.265 27.1529 -34.743 16.9166 -34.7431 6.18494 GPRESSAVG: 1385600 33.7869 37.7267 16.0277 38.2307 26.0467 -35.9103 18.1521 -33.8241 5.52596 TIMING: 1385600 CPU: 4448.43, 0.00314567/step Wall: 4448.43, 0.00314567/step, 3.15825 hours remaining, 230.085938 MB of memory in use. ENERGY: 1385600 4039.6661 20516.7367 14410.9477 255.0539 -203706.4205 2747.8002 0.0000 0.0000 51835.5638 -109900.6521 297.8997 -161736.2159 -109546.7177 299.2273 -117.5859 -86.1596 760150.9499 21.7652 21.7865 PRESSURE: 1385800 495.199 -75.5039 -105.476 -75.5038 18.8286 -190.695 -105.477 -190.696 114.565 GPRESSURE: 1385800 492.664 -190.683 -71.898 -80.2596 19.861 -238.728 -138.015 -208.339 196.021 PRESSAVG: 1385800 25.6726 13.8357 -7.65065 13.8356 -18.4645 -5.77755 -7.65063 -5.77752 -22.5446 GPRESSAVG: 1385800 23.5216 13.9147 -5.97835 13.2659 -17.1267 -5.59965 -7.86157 -5.77383 -21.5955 TIMING: 1385800 CPU: 4449.06, 0.00312636/step Wall: 4449.06, 0.00312636/step, 3.13869 hours remaining, 230.085938 MB of memory in use. ENERGY: 1385800 3970.1753 20470.7509 14393.4723 259.8362 -203979.8461 2861.8269 0.0000 0.0000 52091.1141 -109932.6704 299.3683 -162023.7845 -109563.6842 298.5728 209.5309 236.1820 759115.2006 -5.1122 -5.0669 PRESSURE: 1386000 -70.4969 79.1159 -253.389 79.1154 63.0554 309.607 -253.389 309.606 191.598 GPRESSURE: 1386000 1.40077 70.4743 -257.023 69.0014 28.8048 235.073 -243.781 425.526 229.35 PRESSAVG: 1386000 15.9971 -41.1385 -9.79851 -41.1385 -40.3203 -4.53671 -9.79855 -4.53664 17.7296 GPRESSAVG: 1386000 18.0951 -41.2649 -10.5742 -39.2696 -42.4678 -4.06043 -9.66535 -4.024 17.6644 TIMING: 1386000 CPU: 4449.69, 0.00315551/step Wall: 4449.69, 0.00315551/step, 3.16779 hours remaining, 230.085938 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: 1386000 4066.1481 20619.3715 14403.0377 264.8437 -204013.7679 2899.3830 0.0000 0.0000 52023.0283 -109737.9555 298.9771 -161760.9838 -109378.5075 298.9908 61.3855 86.5186 759698.0054 -2.1979 -2.2361 PRESSURE: 1386200 121.599 167.725 -97.534 167.725 -166.079 -101.178 -97.534 -101.178 -368.534 GPRESSURE: 1386200 170.089 52.4849 -127.323 59.055 -161.504 -155.488 -40.2038 -40.744 -344.109 PRESSAVG: 1386200 1.03124 25.3464 20.2323 25.3463 34.5588 -16.955 20.2323 -16.9551 -11.732 GPRESSAVG: 1386200 0.501597 24.2232 17.9083 26.5676 36.4171 -16.9871 22.3683 -16.4884 -12.4903 TIMING: 1386200 CPU: 4450.32, 0.00315946/step Wall: 4450.32, 0.00315946/step, 3.17157 hours remaining, 230.085938 MB of memory in use. ENERGY: 1386200 4013.1254 20359.6591 14460.3230 237.0523 -203292.8754 2461.1721 0.0000 0.0000 51892.0751 -109869.4683 298.2245 -161761.5434 -109502.2788 299.1941 -137.6711 -111.8412 760192.6780 7.9527 8.1428 PRESSURE: 1386400 -110.334 24.2003 108.164 24.1993 82.386 20.1328 108.163 20.1327 199.929 GPRESSURE: 1386400 -53.8836 -34.0934 15.406 -4.75233 99.2762 -35.6905 179 -54.3002 223.06 PRESSAVG: 1386400 35.0596 -12.7382 6.60386 -12.7382 -34.1251 -41.6319 6.60384 -41.632 -3.75222 GPRESSAVG: 1386400 35.9661 -10.9988 7.45026 -15.8506 -35.4282 -41.0078 4.91197 -43.5776 -3.57462 TIMING: 1386400 CPU: 4450.95, 0.00315254/step Wall: 4450.95, 0.00315254/step, 3.16445 hours remaining, 230.085938 MB of memory in use. ENERGY: 1386400 4069.8705 20472.3077 14435.5512 245.2287 -203606.3607 2528.6653 0.0000 0.0000 51988.8330 -109865.9044 298.7805 -161854.7374 -109504.1475 298.2690 57.3273 89.4842 760805.8835 -0.9393 -1.0122 PRESSURE: 1386600 68.7027 -58.5221 136.278 -58.522 -166.008 192.255 136.278 192.257 395.886 GPRESSURE: 1386600 137.748 26.3958 189.95 11.3794 -187.75 113.286 54.0903 111.847 427.285 PRESSAVG: 1386600 101.265 -37.1487 36.7557 -37.1487 -94.8344 13.0015 36.7558 13.0015 13.9827 GPRESSAVG: 1386600 100.99 -37.0359 39.3833 -37.7163 -94.8 12.3771 37.1424 12.6748 13.5964 TIMING: 1386600 CPU: 4451.58, 0.00315246/step Wall: 4451.58, 0.00315246/step, 3.1642 hours remaining, 230.085938 MB of memory in use. ENERGY: 1386600 4055.2152 20564.1921 14455.3788 252.8132 -203786.2645 2640.8133 0.0000 0.0000 51935.0483 -109882.8035 298.4714 -161817.8519 -109524.4340 298.5124 99.5270 125.7609 759284.0331 6.8044 6.5954 PRESSURE: 1386800 -157.113 73.5836 97.0966 73.5835 -87.2103 122.979 97.0954 122.979 -197.145 GPRESSURE: 1386800 -117.7 54.7601 69.4678 156.086 -94.418 169.573 17.3058 239.229 -151.964 PRESSAVG: 1386800 15.1378 -33.5224 -6.46384 -33.5225 -22.8589 -17.2853 -6.46391 -17.2853 4.97345 GPRESSAVG: 1386800 13.4789 -35.6343 -6.3566 -31.4042 -21.7668 -16.7911 -8.41959 -13.7279 6.10039 TIMING: 1386800 CPU: 4452.21, 0.00315761/step Wall: 4452.21, 0.00315761/step, 3.16919 hours remaining, 230.085938 MB of memory in use. ENERGY: 1386800 3969.9646 20455.0964 14436.6226 245.7705 -203432.3554 2450.1259 0.0000 0.0000 51765.3573 -110109.4181 297.4962 -161874.7754 -109747.6184 298.3977 -147.1563 -121.3606 760313.5740 -0.9159 -0.7292 PRESSURE: 1387000 141.898 -147.661 150.981 -147.662 -63.4003 8.35153 150.981 8.35096 -458.094 GPRESSURE: 1387000 150.402 -101.018 146.662 -120.671 -76.7557 -48.8041 266.77 -3.36711 -359.126 PRESSAVG: 1387000 60.7332 -37.4421 13.1072 -37.4421 -22.6883 -2.67714 13.1072 -2.6771 -12.1228 GPRESSAVG: 1387000 62.5294 -37.5023 11.7023 -37.3438 -24.1034 -1.34062 16.1969 -5.12465 -12.6429 TIMING: 1387000 CPU: 4452.84, 0.00313341/step Wall: 4452.84, 0.00313341/step, 3.14472 hours remaining, 230.085938 MB of memory in use. ENERGY: 1387000 4052.6842 20456.2135 14453.3671 245.8909 -203844.7435 2761.3634 0.0000 0.0000 51805.5758 -110069.6485 297.7274 -161875.2244 -109702.7504 297.9086 -126.5320 -95.1601 760250.6426 8.6407 8.5944 PRESSURE: 1387200 36.9191 23.9242 -42.5897 23.9247 38.5555 -224.548 -42.5898 -224.548 -89.4704 GPRESSURE: 1387200 84.567 135.785 25.0834 -7.60646 104.352 -250.766 -38.4676 -224.21 -121.403 PRESSAVG: 1387200 58.2898 -48.6686 13.893 -48.6687 -53.5421 -18.1239 13.893 -18.1239 31.5094 GPRESSAVG: 1387200 57.6797 -47.5893 14.6936 -50.336 -52.1347 -19.5934 12.2966 -20.0084 31.1326 TIMING: 1387200 CPU: 4453.46, 0.00312023/step Wall: 4453.46, 0.00312023/step, 3.13133 hours remaining, 230.085938 MB of memory in use. ENERGY: 1387200 4040.7168 20561.8204 14441.2355 231.7107 -204225.9405 2779.1206 0.0000 0.0000 52014.6691 -110156.6673 298.9290 -162171.3365 -109784.4951 298.0649 -4.6652 22.5055 759854.6499 12.0857 12.2259 PRESSURE: 1387400 -12.419 -156.127 47.5796 -156.127 179.487 -38.2303 47.5805 -38.2303 266.896 GPRESSURE: 1387400 -12.5004 -167.463 24.5566 -98.9778 187.925 -54.4227 -55.7145 78.5955 340.365 PRESSAVG: 1387400 4.97875 -4.20934 -35.1579 -4.20932 8.86221 -20.9642 -35.1578 -20.9642 9.32212 GPRESSAVG: 1387400 4.67263 -3.00155 -35.1833 -1.83754 7.99476 -21.0569 -35.9075 -18.6852 9.99766 TIMING: 1387400 CPU: 4454.09, 0.00313134/step Wall: 4454.09, 0.00313134/step, 3.1423 hours remaining, 230.085938 MB of memory in use. ENERGY: 1387400 3934.5307 20527.5585 14417.9828 245.5570 -203560.8211 2741.5670 0.0000 0.0000 51748.1889 -109945.4361 297.3976 -161693.6251 -109584.3271 297.8673 144.6548 171.9300 761308.0699 7.7210 7.5550 PRESSURE: 1387600 -107.126 75.7829 5.34229 75.7824 -235.891 150.316 5.34179 150.316 -107.99 GPRESSURE: 1387600 -86.025 15.5246 70.4407 -6.05162 -159.171 115.731 -92.7573 46.5455 -114.558 PRESSAVG: 1387600 -14.3661 -44.665 -18.4995 -44.6651 -13.1905 5.10581 -18.4995 5.10584 -7.79549 GPRESSAVG: 1387600 -13.1113 -46.6337 -19.703 -46.0422 -13.6471 6.7715 -17.0863 4.1632 -8.83291 TIMING: 1387600 CPU: 4454.71, 0.00313007/step Wall: 4454.71, 0.00313007/step, 3.14085 hours remaining, 230.085938 MB of memory in use. ENERGY: 1387600 4026.6992 20652.4471 14546.4199 247.6045 -203434.5205 2215.1820 0.0000 0.0000 51985.4716 -109760.6962 298.7612 -161746.1678 -109402.0014 298.3556 -150.3357 -119.9180 759896.1924 -11.7840 -11.8638 PRESSURE: 1387800 303.909 -33.2527 211.351 -33.2528 423.164 204.949 211.351 204.949 270.675 GPRESSURE: 1387800 324.634 -111.961 238.139 -6.30872 491.931 124.51 64.8467 107.591 278.976 PRESSAVG: 1387800 32.6811 -43.5413 27.1947 -43.5413 -6.39618 18.3055 27.1947 18.3055 1.59621 GPRESSAVG: 1387800 31.4975 -42.5188 28.9103 -44.7597 -6.00642 16.7698 25.8349 17.8361 2.49014 TIMING: 1387800 CPU: 4455.34, 0.00313688/step Wall: 4455.34, 0.00313688/step, 3.14751 hours remaining, 230.085938 MB of memory in use. ENERGY: 1387800 3860.6126 20636.2040 14466.6846 263.9729 -203892.5252 2942.0085 0.0000 0.0000 52185.1100 -109537.9326 299.9085 -161723.0426 -109171.3571 299.0073 332.5826 365.1804 758966.1272 9.2937 9.3271 PRESSURE: 1388000 -206.175 -89.8727 54.0341 -89.8726 1.4739 -109.936 54.0344 -109.936 -240.57 GPRESSURE: 1388000 -104.356 -21.6205 38.7197 -35.5395 -49.5676 -28.9788 61.2082 -205.903 -206.801 PRESSAVG: 1388000 -21.1955 -37.3945 -43.1777 -37.3945 4.27722 15.5866 -43.1777 15.5866 13.5729 GPRESSAVG: 1388000 -21.4568 -39.1186 -43.6429 -34.8915 4.81211 16.4406 -43.4808 16.8579 14.4744 TIMING: 1388000 CPU: 4455.98, 0.00317017/step Wall: 4455.98, 0.00317017/step, 3.18073 hours remaining, 230.085938 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: 1388000 4029.7033 20469.3419 14434.6646 247.5011 -202836.0087 2142.5655 0.0000 0.0000 51870.5457 -109641.6865 298.1007 -161512.2322 -109272.7430 299.1193 -148.4238 -120.2415 761694.8408 -1.1151 -0.7234 PRESSURE: 1388200 550.686 128.457 -9.30029 128.456 199.824 -109.397 -9.3008 -109.396 -122.905 GPRESSURE: 1388200 468.664 131.563 -89.4842 15.4994 297.533 -108.35 -73.8324 -20.5475 -64.3058 PRESSAVG: 1388200 31.3564 -7.70711 -33.2817 -7.70709 -8.73159 -12.6199 -33.2817 -12.6198 4.22315 GPRESSAVG: 1388200 32.2278 -9.09396 -33.8379 -8.32081 -9.80607 -13.0777 -30.1076 -12.8063 4.39766 TIMING: 1388200 CPU: 4456.6, 0.00313742/step Wall: 4456.6, 0.00313742/step, 3.1477 hours remaining, 230.085938 MB of memory in use. ENERGY: 1388200 3921.6433 20512.8270 14528.9166 257.1023 -203434.6573 2354.8421 0.0000 0.0000 52265.1462 -109594.1798 300.3685 -161859.3260 -109219.8066 298.9552 209.2015 233.9637 759352.5649 8.9493 8.9398 LDB: ============= START OF LOAD BALANCING ============== 4469.02 LDB: ============== END OF LOAD BALANCING =============== 4469.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4469.02 LDB: ============= START OF LOAD BALANCING ============== 4469.34 LDB: Largest compute 7031 load 0.033658 is 17.2% of average load 0.195290 LDB: Average compute 0.004403 is 2.3% of average load 0.195290 LDB: TIME 4469.35 LOAD: AVG 0.19529 MAX 0.216224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.777 MB LDB: TIME 4469.35 LOAD: AVG 0.19529 MAX 0.216224 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.98 MB LDB: TIME 4469.35 LOAD: AVG 0.19529 MAX 0.216224 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.98 MB LDB: ============== END OF LOAD BALANCING =============== 4469.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4469.35 PRESSURE: 1388400 263.399 48.983 -156.495 48.9827 -57.5629 9.72007 -156.494 9.72131 382.598 GPRESSURE: 1388400 333.291 -117.606 -186.869 171.821 -63.4333 57.9623 -295.185 40.9628 384.685 PRESSAVG: 1388400 -7.93804 -18.5674 -26.504 -18.5674 40.7143 18.3023 -26.504 18.3023 -0.364669 GPRESSAVG: 1388400 -8.09855 -16.3314 -25.6414 -19.8754 41.6062 17.9168 -30.008 17.4202 -0.9287 TIMING: 1388400 CPU: 4457.25, 0.00321989/step Wall: 4457.25, 0.00321989/step, 3.23027 hours remaining, 233.226562 MB of memory in use. ENERGY: 1388400 3945.7934 20416.2773 14547.0064 276.3121 -203693.0559 2705.1903 0.0000 0.0000 52172.8039 -109629.6724 299.8378 -161802.4763 -109259.9897 299.5109 196.1449 218.1811 759265.2424 10.8039 10.8597 PRESSURE: 1388600 389.84 170.236 17.2494 170.235 459.492 163.041 17.2495 163.041 91.9265 GPRESSURE: 1388600 375.949 142.181 65.1442 199.226 525.15 312.45 95.7112 74.0425 134.212 PRESSAVG: 1388600 -0.0219448 -0.195977 -18.1257 -0.196085 -40.5663 -57.9705 -18.1257 -57.9706 -36.0822 GPRESSAVG: 1388600 0.39581 -0.0357809 -19.3177 -0.759252 -40.8823 -59.0926 -18.1903 -57.6109 -36.0581 TIMING: 1388600 CPU: 4457.88, 0.00315198/step Wall: 4457.88, 0.00315198/step, 3.16196 hours remaining, 233.226562 MB of memory in use. ENERGY: 1388600 3989.9614 20537.0672 14520.9687 245.9301 -203751.4021 2836.2378 0.0000 0.0000 52021.2598 -109599.9772 298.9669 -161621.2370 -109241.2409 299.0318 313.7526 345.1039 758519.7149 -25.5568 -25.5148 PRESSURE: 1388800 202.491 -51.1029 137.747 -51.1031 -258.598 -57.1674 137.747 -57.168 148.9 GPRESSURE: 1388800 153.82 55.5464 118.95 22.2524 -154.208 -5.22651 131.859 -40.5849 176.006 PRESSAVG: 1388800 30.6268 -1.7698 21.1914 -1.7698 -61.5117 24.1943 21.1914 24.1943 6.61691 GPRESSAVG: 1388800 30.4099 -0.454357 22.9245 -1.19697 -61.3806 25.6593 23.2166 25 6.24738 TIMING: 1388800 CPU: 4458.51, 0.0031662/step Wall: 4458.51, 0.0031662/step, 3.17605 hours remaining, 233.226562 MB of memory in use. ENERGY: 1388800 3943.4645 20608.1281 14500.3993 232.5488 -203650.5634 2620.6564 0.0000 0.0000 52056.9278 -109688.4385 299.1719 -161745.3663 -109320.9382 299.4242 30.9309 58.5393 760388.0681 -8.0893 -8.2411 PRESSURE: 1389000 213.126 101.352 -154.034 101.351 16.122 121.528 -154.034 121.527 -207.234 GPRESSURE: 1389000 232.023 193.1 -136.472 34.9521 12.3437 117.384 -168.662 225.644 -142.262 PRESSAVG: 1389000 26.7168 2.49446 -34.8416 2.49441 -18.124 22.6757 -34.8416 22.6758 -3.22 GPRESSAVG: 1389000 26.9644 0.281927 -36.0741 1.60517 -18.9021 23.544 -36.455 21.573 -3.51587 TIMING: 1389000 CPU: 4459.14, 0.00316341/step Wall: 4459.14, 0.00316341/step, 3.17308 hours remaining, 233.226562 MB of memory in use. ENERGY: 1389000 3990.4964 20390.0037 14510.6795 239.5218 -203663.3453 2724.4482 0.0000 0.0000 51964.6064 -109843.5895 298.6413 -161808.1958 -109480.6593 299.2390 7.3379 34.0350 759991.6115 1.7909 1.5155 PRESSURE: 1389200 -19.3719 -109.562 -20.6655 -109.561 56.3156 86.5596 -20.6658 86.5592 280.737 GPRESSURE: 1389200 45.152 -37.2528 56.5552 -94.8097 118.833 53.0277 -47.2623 61.1076 250.762 PRESSAVG: 1389200 81.4574 8.41159 -33.9729 8.41156 -67.3214 31.7623 -33.9729 31.7622 4.01415 GPRESSAVG: 1389200 81.1162 8.61479 -33.0506 9.45907 -66.4597 31.4146 -32.7088 32.4435 3.55074 TIMING: 1389200 CPU: 4459.77, 0.00314826/step Wall: 4459.77, 0.00314826/step, 3.1577 hours remaining, 233.226562 MB of memory in use. ENERGY: 1389200 4033.2242 20436.8651 14442.7348 220.1924 -203952.0267 2996.2801 0.0000 0.0000 51830.5632 -109992.1669 297.8710 -161822.7301 -109632.3479 298.0982 105.8937 138.2490 760276.3134 6.0501 6.0691 PRESSURE: 1389400 -151.682 -73.0703 97.9399 -73.0703 265.534 -68.2241 97.9399 -68.2245 274.35 GPRESSURE: 1389400 -97.9439 -56.922 -7.80142 -140.902 260.303 -78.982 42.4014 21.0063 310.848 PRESSAVG: 1389400 61.7469 -0.514904 -18.4192 -0.514892 -28.1528 8.98168 -18.4192 8.98166 15.4854 GPRESSAVG: 1389400 62.3511 1.42096 -18.8854 0.394013 -28.9218 9.58178 -20.0131 7.22951 15.5861 TIMING: 1389400 CPU: 4460.4, 0.00314667/step Wall: 4460.4, 0.00314667/step, 3.15594 hours remaining, 233.226562 MB of memory in use. ENERGY: 1389400 3960.1492 20406.4280 14482.7647 251.3820 -203783.6769 2586.3552 0.0000 0.0000 52089.3655 -110007.2322 299.3583 -162096.5977 -109638.1089 298.0886 129.4006 157.7359 757533.1983 16.3598 16.3385 PRESSURE: 1389600 20.6023 247.513 -13.2155 247.513 -153.757 101.519 -13.2154 101.52 -136.166 GPRESSURE: 1389600 71.7979 202.602 -27.2418 255.327 -138.579 65.3461 -111.834 52.4052 -113.127 PRESSAVG: 1389600 47.949 -27.0934 23.689 -27.0934 -12.1158 -3.5454 23.6891 -3.54535 -16.8305 GPRESSAVG: 1389600 46.4426 -28.3783 22.8996 -29.7168 -11.5644 -3.42791 24.1116 -1.75285 -15.5582 TIMING: 1389600 CPU: 4461.03, 0.00315912/step Wall: 4461.03, 0.00315912/step, 3.16825 hours remaining, 233.226562 MB of memory in use. ENERGY: 1389600 3952.4016 20588.8866 14498.6755 260.2629 -203229.6265 2151.8637 0.0000 0.0000 51704.6288 -110072.9075 297.1472 -161777.5363 -109709.4440 298.0721 -89.7735 -59.9693 758938.9452 6.3342 6.4400 PRESSURE: 1389800 -237.766 0.449722 -73.4403 0.44972 -93.4782 -129.043 -73.4405 -129.042 -595.959 GPRESSURE: 1389800 -155.32 31.9105 -106.034 50.333 -105.909 -146.718 -16.2462 -50.7076 -576.93 PRESSAVG: 1389800 35.2034 -36.094 -24.805 -36.094 -7.83998 -21.7748 -24.8048 -21.7749 -6.90019 GPRESSAVG: 1389800 36.4039 -37.3767 -25.4151 -34.7757 -8.16155 -22.211 -22.1518 -22.1123 -7.9278 TIMING: 1389800 CPU: 4461.67, 0.00316107/step Wall: 4461.67, 0.00316107/step, 3.17003 hours remaining, 233.226562 MB of memory in use. ENERGY: 1389800 4006.1847 20343.0008 14538.3794 232.8922 -203133.4343 2308.3795 0.0000 0.0000 51805.0284 -109899.5693 297.7242 -161704.5977 -109544.7850 298.4111 -309.0677 -279.3861 758929.7318 6.8211 6.7715 PRESSURE: 1390000 128.915 60.9833 -116.873 60.9831 46.7752 -39.9061 -116.873 -39.9066 -239.638 GPRESSURE: 1390000 163.653 -62.2396 -101.278 -22.6312 24.0309 -43.421 -8.01944 37.6764 -188.545 PRESSAVG: 1390000 10.5895 -32.5759 -31.1436 -32.5759 19.3053 46.6634 -31.1435 46.6634 18.7648 GPRESSAVG: 1390000 10.8279 -32.2017 -30.9756 -31.4835 18.7916 47.6313 -32.0408 45.9731 19.455 TIMING: 1390000 CPU: 4462.3, 0.00315639/step Wall: 4462.3, 0.00315639/step, 3.16516 hours remaining, 233.226562 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: 1390000 3912.3707 20616.5348 14493.5169 255.7099 -203381.6519 2248.2439 0.0000 0.0000 51893.0082 -109962.2675 298.2298 -161855.2756 -109600.6387 298.0745 -21.3159 -0.2869 759046.4510 16.2198 16.3582 PRESSURE: 1390200 -39.9288 146.438 41.3286 146.438 -59.0868 209.901 41.3293 209.901 164.176 GPRESSURE: 1390200 32.5927 76.8745 52.2498 53.1208 68.3649 248.52 26.6396 139.654 68.0218 PRESSAVG: 1390200 -23.7568 -48.6233 -65.1952 -48.6232 10.9672 7.96863 -65.1952 7.96862 5.59767 GPRESSAVG: 1390200 -24.5995 -50.2822 -66.1551 -50.9889 12.1004 6.23508 -66.7278 8.86874 5.48238 TIMING: 1390200 CPU: 4462.93, 0.00315271/step Wall: 4462.93, 0.00315271/step, 3.16129 hours remaining, 233.226562 MB of memory in use. ENERGY: 1390200 3960.5516 20477.4682 14519.7108 265.1558 -203340.1518 2463.1872 0.0000 0.0000 51957.1922 -109696.8860 298.5987 -161654.0783 -109342.5666 298.7083 21.7202 56.3265 760735.0385 -2.3973 -2.3389 PRESSURE: 1390400 -1.48239 -12.2856 41.1012 -12.2859 -183.301 53.8358 41.1016 53.8365 -531.561 GPRESSURE: 1390400 50.1454 -11.1212 -3.86564 6.73851 -155.228 21.7254 9.83063 -15.2397 -540.441 PRESSAVG: 1390400 -18.0066 -30.9368 -54.669 -30.9368 27.8785 47.5479 -54.669 47.5479 11.8012 GPRESSAVG: 1390400 -18.4894 -29.9992 -53.7876 -29.4569 27.7586 48.2567 -53.9744 47.4248 11.6741 TIMING: 1390400 CPU: 4463.56, 0.00318219/step Wall: 4463.56, 0.00318219/step, 3.19068 hours remaining, 233.226562 MB of memory in use. ENERGY: 1390400 3998.2811 20542.9759 14570.5585 242.4396 -203094.0263 2228.5553 0.0000 0.0000 52054.2927 -109456.9233 299.1567 -161511.2160 -109099.6477 298.9896 -238.7814 -215.1745 760409.5900 7.2244 6.9811 PRESSURE: 1390600 -241.207 -77.2176 -6.30325 -77.2186 -419.167 -101.109 -6.303 -101.11 -359.127 GPRESSURE: 1390600 -210.58 -140.545 -14.8518 -0.167997 -369.573 -157.419 91.3633 -85.2668 -338.603 PRESSAVG: 1390600 14.3078 -26.6895 7.28925 -26.6895 -54.9051 34.4675 7.28925 34.4675 -18.1049 GPRESSAVG: 1390600 14.237 -26.3579 7.00045 -27.9636 -54.6831 34.986 10.356 33.1943 -18.4574 TIMING: 1390600 CPU: 4464.2, 0.00316956/step Wall: 4464.2, 0.00316956/step, 3.17784 hours remaining, 233.226562 MB of memory in use. ENERGY: 1390600 4088.1160 20558.1612 14579.8489 272.4308 -203002.1098 2097.4315 0.0000 0.0000 52019.7147 -109386.4067 298.9580 -161406.1215 -109020.7948 299.6452 -339.8336 -306.2518 762005.0102 -19.5674 -19.6345 PRESSURE: 1390800 104.348 -24.9026 223.287 -24.9027 -231.404 372.934 223.287 372.935 -541.388 GPRESSURE: 1390800 104.495 -19.2909 252.836 -93.8106 -209.644 306.057 170.496 404.984 -478.702 PRESSAVG: 1390800 11.8709 -38.8976 -19.9852 -38.8977 1.26016 1.61399 -19.9852 1.61404 -5.35759 GPRESSAVG: 1390800 11.212 -39.1995 -19.9352 -36.9836 1.73875 1.20222 -21.9836 1.27466 -4.97064 TIMING: 1390800 CPU: 4464.84, 0.00318374/step Wall: 4464.84, 0.00318374/step, 3.19187 hours remaining, 233.226562 MB of memory in use. ENERGY: 1390800 4081.0537 20430.8073 14552.8005 249.3396 -203294.9193 2198.4141 0.0000 0.0000 52016.3087 -109766.1955 298.9384 -161782.5041 -109401.3972 299.4729 -222.8145 -194.6172 760881.0421 2.5911 2.6600 PRESSURE: 1391000 -359.746 -114.681 -140.074 -114.681 -142.297 -257.77 -140.073 -257.771 -32.7603 GPRESSURE: 1391000 -266.767 -152.888 -74.4434 -29.8379 -193.177 -369.485 -359.987 -147.654 16.5893 PRESSAVG: 1391000 -15.9076 -9.19558 17.5341 -9.19559 5.63056 -0.637872 17.5342 -0.637799 32.7715 GPRESSAVG: 1391000 -15.2654 -9.25913 18.7045 -10.993 5.2479 -1.46877 15.345 0.765739 32.5693 TIMING: 1391000 CPU: 4465.46, 0.00314346/step Wall: 4465.46, 0.00314346/step, 3.15132 hours remaining, 233.226562 MB of memory in use. ENERGY: 1391000 4134.5200 20637.0971 14452.0838 255.3453 -203357.1891 2330.6234 0.0000 0.0000 51856.9463 -109690.5733 298.0226 -161547.5196 -109342.7730 299.1315 -178.2677 -147.7848 760556.0754 7.4981 7.5173 PRESSURE: 1391200 -50.0299 68.7122 18.9737 68.7116 -2.58305 324.963 18.974 324.963 36.9759 GPRESSURE: 1391200 -45.07 151.403 -15.6937 -86.6996 -32.4075 311.987 -6.42069 267.248 143.116 PRESSAVG: 1391200 -24.3681 -12.1703 -7.88405 -12.1702 50.4348 22.0272 -7.88405 22.0272 -5.61213 GPRESSAVG: 1391200 -24.1968 -11.283 -8.54001 -12.1854 48.8849 24.4046 -9.78879 19.7206 -4.44975 TIMING: 1391200 CPU: 4466.09, 0.00313768/step Wall: 4466.09, 0.00313768/step, 3.14535 hours remaining, 233.226562 MB of memory in use. ENERGY: 1391200 3993.7184 20498.1976 14625.3169 245.0869 -203667.8587 2540.7256 0.0000 0.0000 52191.4887 -109573.3246 299.9452 -161764.8133 -109209.2815 298.9177 -5.2124 21.8794 759942.1184 6.8182 6.7461 PRESSURE: 1391400 31.6064 -99.0872 -180.052 -99.0873 194.187 -105.336 -180.052 -105.336 298.001 GPRESSURE: 1391400 87.6138 -132.038 -145.536 -104.751 264.752 -1.5256 -157.299 -117.019 265.141 PRESSAVG: 1391400 -33.0648 -74.7894 -49.8276 -74.7895 35.1048 5.01941 -49.8276 5.01937 -20.9978 GPRESSAVG: 1391400 -32.9493 -74.9093 -47.957 -74.1003 36.9295 4.11633 -46.1707 5.23362 -22.8803 TIMING: 1391400 CPU: 4466.72, 0.00314053/step Wall: 4466.72, 0.00314053/step, 3.14803 hours remaining, 233.226562 MB of memory in use. ENERGY: 1391400 4081.4959 20442.8277 14548.4126 251.9883 -203677.1124 2733.7880 0.0000 0.0000 52100.7852 -109517.8147 299.4239 -161618.6000 -109153.2508 299.4917 174.5983 205.8355 760405.4062 -6.3193 -6.3000 PRESSURE: 1391600 -357.24 79.5295 356.265 79.5297 28.0113 -80.1933 356.264 -80.1933 -123.581 GPRESSURE: 1391600 -240.388 33.5276 330.531 240.448 -7.23739 -163.546 200.501 -26.5353 -85.2139 PRESSAVG: 1391600 -64.5489 -74.8303 -0.947032 -74.8303 35.9122 7.38199 -0.947031 7.38191 6.07354 GPRESSAVG: 1391600 -64.2027 -75.262 -2.57611 -72.382 35.298 6.57336 -3.02851 6.68513 6.56563 TIMING: 1391600 CPU: 4467.35, 0.00315387/step Wall: 4467.35, 0.00315387/step, 3.16123 hours remaining, 233.226562 MB of memory in use. ENERGY: 1391600 4038.1081 20409.7326 14600.7551 239.1677 -203669.5579 2537.9073 0.0000 0.0000 52122.8098 -109721.0772 299.5505 -161843.8871 -109344.2474 299.3357 -150.9365 -110.9465 760785.8606 -7.5210 -7.4464 PRESSURE: 1391800 -251.551 23.4562 16.7411 23.456 -48.8105 31.3602 16.7409 31.3596 172.617 GPRESSURE: 1391800 -218.866 -62.1977 34.3126 -106.996 39.2454 34.993 44.9005 -42.1172 161.868 PRESSAVG: 1391800 -44.4049 -54.7592 5.95173 -54.7592 49.2654 31.8887 5.95175 31.8886 2.0306 GPRESSAVG: 1391800 -44.3436 -53.8123 7.40138 -55.6003 50.3791 32.4915 6.09809 31.725 1.25333 TIMING: 1391800 CPU: 4467.98, 0.00315661/step Wall: 4467.98, 0.00315661/step, 3.1638 hours remaining, 233.226562 MB of memory in use. ENERGY: 1391800 4021.5379 20566.8983 14511.1227 238.8863 -203418.0107 2441.3900 0.0000 0.0000 52029.6122 -109608.5632 299.0149 -161638.1754 -109242.1177 299.1294 -42.5813 -5.9175 762116.3599 2.2970 2.4296 PRESSURE: 1392000 174.509 29.745 -158.07 29.7452 223.329 204.628 -158.07 204.63 186.843 GPRESSURE: 1392000 115.339 -3.62119 -183.622 -62.6082 339.072 182.295 -56.7233 252.495 211.74 PRESSAVG: 1392000 -27.2259 -40.1978 2.92627 -40.1978 31.9486 34.7371 2.92628 34.7371 -25.3727 GPRESSAVG: 1392000 -28.5153 -41.3367 2.33468 -42.668 31.9643 35.3135 4.73285 35.0534 -24.5775 TIMING: 1392000 CPU: 4468.62, 0.00318068/step Wall: 4468.62, 0.00318068/step, 3.18775 hours remaining, 233.226562 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: 1392000 3984.1539 20459.0264 14521.6944 229.6826 -203936.2679 2807.8101 0.0000 0.0000 52222.1362 -109711.7644 300.1213 -161933.9006 -109352.9617 299.3199 194.8936 222.0504 760210.3064 -6.8833 -7.0428 PRESSURE: 1392200 44.9149 -82.0631 338.086 -82.0624 168.308 89.961 338.086 89.9607 192.043 GPRESSURE: 1392200 16.2428 -92.8061 277.174 -107.207 240.58 117.68 398.119 130.179 250.283 PRESSAVG: 1392200 27.2927 -71.0064 -3.15885 -71.0064 -12.7768 22.1483 -3.1588 22.1482 -24.2297 GPRESSAVG: 1392200 28.2446 -71.4287 -0.795566 -67.717 -14.6158 22.1343 -4.71573 22.0054 -22.9265 TIMING: 1392200 CPU: 4469.25, 0.00318576/step Wall: 4469.25, 0.00318576/step, 3.19266 hours remaining, 233.226562 MB of memory in use. ENERGY: 1392200 3934.0466 20366.5814 14503.7948 238.3736 -203885.1964 2836.3776 0.0000 0.0000 52057.6868 -109948.3356 299.1762 -162006.0224 -109573.7576 298.8676 135.0884 169.0350 758666.6466 -3.2379 -3.0992 LDB: ============= START OF LOAD BALANCING ============== 4481.68 LDB: ============== END OF LOAD BALANCING =============== 4481.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4481.68 LDB: ============= START OF LOAD BALANCING ============== 4481.99 LDB: Largest compute 7070 load 0.033530 is 17.2% of average load 0.195240 LDB: Average compute 0.004401 is 2.3% of average load 0.195240 LDB: TIME 4482 LOAD: AVG 0.19524 MAX 0.210416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.645 MB LDB: TIME 4482 LOAD: AVG 0.19524 MAX 0.210416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.848 MB LDB: TIME 4482 LOAD: AVG 0.19524 MAX 0.210416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.848 MB LDB: ============== END OF LOAD BALANCING =============== 4482 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4482 PRESSURE: 1392400 -89.9822 -127.059 14.247 -127.059 -190.616 -122.175 14.2459 -122.175 378.528 GPRESSURE: 1392400 -55.0083 -48.5721 28.4662 -87.3791 -140.467 -170.234 140.494 -31.0295 394.904 PRESSAVG: 1392400 -22.6495 -85.6987 86.8283 -85.6987 -7.51705 -14.4159 86.8282 -14.4158 26.8914 GPRESSAVG: 1392400 -23.4772 -85.5601 83.7859 -86.4034 -5.3252 -14.5348 86.7602 -12.1568 26.1751 TIMING: 1392400 CPU: 4469.9, 0.00321943/step Wall: 4469.9, 0.00321943/step, 3.22623 hours remaining, 231.367188 MB of memory in use. ENERGY: 1392400 3984.4990 20474.5052 14553.2071 251.5743 -203285.4787 2459.2356 0.0000 0.0000 51852.6818 -109709.7757 297.9981 -161562.4575 -109354.1802 298.7437 32.6434 66.4761 759938.9896 -1.0917 -0.8758 PRESSURE: 1392600 -133.537 46.8172 63.9426 46.8173 -187.136 -7.97084 63.9422 -7.97031 -267.603 GPRESSURE: 1392600 -92.3142 252.121 -63.1893 14.6695 -222.781 5.23186 53.2822 52.7748 -177.677 PRESSAVG: 1392600 56.8181 -33.5049 39.9559 -33.5049 -15.1102 58.5654 39.9559 58.5654 -10.4106 GPRESSAVG: 1392600 57.3278 -31.7402 39.866 -34.4182 -17.1236 58.9317 41.9322 56.4778 -9.12545 TIMING: 1392600 CPU: 4470.53, 0.00317019/step Wall: 4470.53, 0.0031702/step, 3.17671 hours remaining, 231.566406 MB of memory in use. ENERGY: 1392600 4058.4812 20433.5817 14471.2709 234.4849 -203217.8229 2401.8140 0.0000 0.0000 52084.3241 -109533.8661 299.3293 -161618.1902 -109167.0508 299.3470 -196.0918 -164.2573 761150.3150 10.4325 10.3596 PRESSURE: 1392800 61.0551 -117.741 -109.076 -117.741 -169.856 44.3242 -109.076 44.3246 -159.446 GPRESSURE: 1392800 18.4611 -222.985 -68.0275 -105.669 -60.6811 10.469 -140.879 99.8871 -139.765 PRESSAVG: 1392800 23.4526 -26.0793 17.7105 -26.0792 -32.1274 -46.8997 17.7105 -46.8998 -12.1651 GPRESSAVG: 1392800 24.4017 -27.4329 17.9044 -24.6396 -30.8226 -46.7991 16.418 -48.8153 -14.0387 TIMING: 1392800 CPU: 4471.17, 0.00318851/step Wall: 4471.17, 0.00318851/step, 3.19488 hours remaining, 231.566406 MB of memory in use. ENERGY: 1392800 3995.3486 20542.6859 14548.7805 253.7761 -203661.8203 2633.2854 0.0000 0.0000 52051.4397 -109636.5042 299.1403 -161687.9438 -109278.7000 299.2383 -89.4158 -60.6618 759629.1918 -6.9466 -6.8199 PRESSURE: 1393000 -117.773 -187.081 239.977 -187.082 -123.745 -123.56 239.977 -123.56 69.095 GPRESSURE: 1393000 -131.393 -117.501 275.495 -244.825 -12.0073 -59.873 262.703 -198.68 45.9344 PRESSAVG: 1393000 56.0049 -51.4833 43.1991 -51.4833 -64.6164 -16.7824 43.1991 -16.7824 6.61468 GPRESSAVG: 1393000 55.4687 -51.5409 42.9867 -51.1951 -63.3832 -18.8816 44.5373 -14.2143 6.18662 TIMING: 1393000 CPU: 4471.8, 0.00315427/step Wall: 4471.8, 0.00315427/step, 3.1604 hours remaining, 231.566406 MB of memory in use. ENERGY: 1393000 3916.8202 20597.6430 14494.3319 249.1370 -203584.8967 2680.8099 0.0000 0.0000 52111.0240 -109535.1307 299.4828 -161646.1547 -109168.2035 299.1734 -57.4744 -32.4887 760918.6427 -0.6656 -0.5760 PRESSURE: 1393200 -0.566405 -124.011 -74.3761 -124.011 420.725 -34.7997 -74.3767 -34.8008 -66.0671 GPRESSURE: 1393200 83.0131 -191.482 -40.2429 -62.7264 444.688 -112.413 -67.7593 -15.6332 -88.48 PRESSAVG: 1393200 -5.7725 -9.66671 32.7367 -9.66671 29.6571 7.76173 32.7367 7.76182 2.83962 GPRESSAVG: 1393200 -6.15412 -8.32004 32.4891 -11.1435 28.2246 9.15795 32.0817 4.29242 5.07311 TIMING: 1393200 CPU: 4472.43, 0.00315586/step Wall: 4472.43, 0.00315586/step, 3.16182 hours remaining, 231.566406 MB of memory in use. ENERGY: 1393200 4015.4805 20644.6297 14509.4921 255.9318 -203662.1053 2598.8092 0.0000 0.0000 52127.5391 -109510.2228 299.5777 -161637.7619 -109140.9953 299.4852 118.0306 146.4071 760261.5345 8.9081 9.0479 PRESSURE: 1393400 27.3206 -134.868 -110.039 -134.868 -2.88391 -105.692 -110.038 -105.69 -282.657 GPRESSURE: 1393400 83.2786 -10.2103 -44.7082 -121.746 -14.8952 -47.3053 -9.41038 -74.527 -242.076 PRESSAVG: 1393400 -18.8621 -35.6278 54.7182 -35.6279 -13.7617 -5.77507 54.7182 -5.77513 -5.9312 GPRESSAVG: 1393400 -18.9942 -34.7023 54.2576 -34.9345 -12.9818 -5.46408 55.2227 -4.0179 -6.69291 TIMING: 1393400 CPU: 4473.07, 0.00317699/step Wall: 4473.07, 0.00317699/step, 3.18282 hours remaining, 231.566406 MB of memory in use. ENERGY: 1393400 4051.7437 20556.7287 14541.7343 248.5969 -203303.6000 2193.4972 0.0000 0.0000 52040.5834 -109670.7159 299.0779 -161711.2993 -109295.1442 299.2395 -86.0734 -57.8974 761893.2136 -12.8517 -12.8896 PRESSURE: 1393600 67.5783 291.542 125.085 291.542 198.999 -39.3194 125.085 -39.3193 -33.6034 GPRESSURE: 1393600 54.8385 326.625 77.1947 268.503 312.927 -74.9649 92.2134 -71.1338 -60.9638 PRESSAVG: 1393600 -4.19945 28.4336 3.33894 28.4336 14.9311 2.37338 3.33897 2.37333 -13.1539 GPRESSAVG: 1393600 -4.70849 27.6593 1.37766 28.8937 14.8904 2.28473 3.55303 3.10322 -13.2576 TIMING: 1393600 CPU: 4473.7, 0.00317353/step Wall: 4473.7, 0.00317353/step, 3.17917 hours remaining, 231.566406 MB of memory in use. ENERGY: 1393600 4037.0576 20562.7460 14527.1753 269.0783 -203811.4275 2730.4082 0.0000 0.0000 51951.3624 -109733.5996 298.5652 -161684.9621 -109371.4924 299.4039 77.6580 102.2674 760259.8751 -0.8074 -1.0252 PRESSURE: 1393800 -49.0419 63.2854 3.96095 63.2844 -155.945 81.3875 3.96108 81.3873 -343.881 GPRESSURE: 1393800 31.1534 -20.4435 -23.4145 -0.401483 -98.6202 49.6295 -31.4547 37.866 -358.462 PRESSAVG: 1393800 11.8958 -23.8114 12.7993 -23.8115 -6.71121 -47.1782 12.7993 -47.1782 17.6848 GPRESSAVG: 1393800 11.7421 -24.5294 15.5659 -23.3752 -6.9795 -46.9029 11.4756 -46.9223 17.6126 TIMING: 1393800 CPU: 4474.33, 0.00313761/step Wall: 4474.33, 0.00313761/step, 3.14301 hours remaining, 231.566406 MB of memory in use. ENERGY: 1393800 3988.4462 20523.4625 14446.6745 241.1412 -203464.1927 2665.9797 0.0000 0.0000 52208.5788 -109389.9099 300.0434 -161598.4887 -109023.5474 299.3868 -182.9560 -141.9762 761743.4882 7.6231 7.4584 PRESSURE: 1394000 -39.926 -138.011 209.288 -138.011 -37.2035 -130.362 209.289 -130.361 25.5587 GPRESSURE: 1394000 104.636 -103 216.115 -121.047 -76.9917 -74.4605 188.8 -19.1033 -5.89274 PRESSAVG: 1394000 1.08289 -29.3255 -20.4098 -29.3254 -14.9487 38.476 -20.4098 38.476 -1.18883 GPRESSAVG: 1394000 2.02475 -30.0573 -21.6928 -29.3864 -16.1544 38.4624 -20.0808 37.7081 -0.700099 TIMING: 1394000 CPU: 4474.96, 0.00315028/step Wall: 4474.96, 0.00315028/step, 3.15553 hours remaining, 231.566406 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: 1394000 3976.1974 20374.8813 14411.7190 260.0507 -202954.1429 2253.9031 0.0000 0.0000 52204.7470 -109472.6442 300.0214 -161677.3913 -109101.1241 299.4320 -17.1903 7.2506 761168.7020 -5.0182 -4.9432 PRESSURE: 1394200 -13.6381 -125.679 88.4617 -125.679 -207.074 -72.0115 88.4619 -72.012 361.324 GPRESSURE: 1394200 -35.1469 8.259 63.3344 -177.545 -147.531 -130.479 37.4199 -48.3475 363.791 PRESSAVG: 1394200 -55.5066 -46.4074 -5.95521 -46.4073 30.6928 -56.7362 -5.95527 -56.7361 9.57055 GPRESSAVG: 1394200 -56.6127 -44.3176 -5.96637 -47.2687 31.3707 -56.3346 -7.17162 -56.6927 9.62579 TIMING: 1394200 CPU: 4475.59, 0.00315395/step Wall: 4475.59, 0.00315395/step, 3.15903 hours remaining, 231.566406 MB of memory in use. ENERGY: 1394200 4000.1164 20554.2804 14594.1160 264.5438 -203661.9729 2684.7085 0.0000 0.0000 51955.4911 -109608.7167 298.5889 -161564.2078 -109238.2442 299.2573 46.8706 60.3712 759773.0073 -5.0811 -5.2054 PRESSURE: 1394400 152.565 -247.254 -423.31 -247.255 353.131 -22.6104 -423.31 -22.6096 419.67 GPRESSURE: 1394400 243.579 -255.085 -304.874 -218.527 319.179 92.2333 -382.736 39.8104 444.114 PRESSAVG: 1394400 41.6409 -9.24097 -33.7921 -9.24095 -22.4635 -27.1753 -33.7921 -27.1753 -9.05207 GPRESSAVG: 1394400 43.0978 -11.422 -34.8346 -7.26049 -23.6078 -26.6166 -31.3398 -27.9367 -9.02369 TIMING: 1394400 CPU: 4476.22, 0.00315971/step Wall: 4476.22, 0.00315971/step, 3.16462 hours remaining, 231.566406 MB of memory in use. ENERGY: 1394400 3953.6202 20510.2533 14525.8140 265.2420 -203838.0971 2760.5794 0.0000 0.0000 52041.3751 -109781.2132 299.0825 -161822.5882 -109419.4658 298.8604 308.4555 335.6240 760909.0434 3.3751 3.4888 PRESSURE: 1394600 -74.8451 -63.7493 53.296 -63.749 -297.46 67.1342 53.2961 67.1341 -581.829 GPRESSURE: 1394600 -84.9513 -73.2898 62.8832 -63.0271 -221.621 26.9568 92.7933 90.8616 -540.508 PRESSAVG: 1394600 -38.2514 29.3015 23.7623 29.3015 -8.46723 -7.93042 23.7623 -7.93041 1.74549 GPRESSAVG: 1394600 -38.3172 31.2149 26.0569 27.1734 -8.33167 -8.27308 21.9117 -8.43604 2.01951 TIMING: 1394600 CPU: 4476.85, 0.00315508/step Wall: 4476.85, 0.00315508/step, 3.15981 hours remaining, 231.566406 MB of memory in use. ENERGY: 1394600 4031.7812 20604.9364 14517.1677 260.7710 -203298.7516 2314.5189 0.0000 0.0000 51957.8521 -109611.7244 298.6025 -161569.5764 -109242.8444 299.0111 -318.0446 -282.3602 761233.0887 -14.9911 -14.8764 PRESSURE: 1394800 136.724 157.61 -147.782 157.61 -23.979 36.5239 -147.782 36.5226 -184.969 GPRESSURE: 1394800 247.015 127.898 -39.7413 103.965 -44.3994 28.0422 -116.872 93.6547 -164.945 PRESSAVG: 1394800 -9.91825 -32.3172 -10.5782 -32.3171 -38.8253 -41.2972 -10.5781 -41.2972 -23.7589 GPRESSAVG: 1394800 -9.33379 -32.8367 -11.0116 -31.8768 -38.7801 -42.084 -9.23346 -39.3083 -24.2167 TIMING: 1394800 CPU: 4477.5, 0.00323291/step Wall: 4477.5, 0.00323291/step, 3.23758 hours remaining, 231.566406 MB of memory in use. ENERGY: 1394800 4046.6408 20537.9333 14497.0964 233.3237 -203669.6112 2636.7773 0.0000 0.0000 52186.6344 -109531.2052 299.9173 -161717.8397 -109168.2182 299.1251 -24.0749 12.5570 760349.7066 -24.1675 -24.1102 PRESSURE: 1395000 253.593 -118.651 21.6701 -118.651 242.628 -38.4875 21.6703 -38.488 218.633 GPRESSURE: 1395000 360.914 -237.503 -14.3167 -134.463 183.135 -29.0998 -52.694 -5.83265 273.653 PRESSAVG: 1395000 34.0391 29.9301 38.4613 29.9301 -17.3095 -14.2963 38.4612 -14.2963 -15.2096 GPRESSAVG: 1395000 32.5763 30.138 39.6649 29.3768 -16.8429 -13.8178 35.9694 -17.3499 -14.5427 TIMING: 1395000 CPU: 4478.14, 0.00320572/step Wall: 4478.14, 0.00320572/step, 3.21017 hours remaining, 231.566406 MB of memory in use. ENERGY: 1395000 4012.6875 20527.7387 14496.7090 242.3804 -203435.3897 2726.3256 0.0000 0.0000 51997.1911 -109432.3574 298.8286 -161429.5485 -109067.2443 299.3510 238.2846 272.5674 759455.2239 0.5067 0.3969 PRESSURE: 1395200 172.002 223.438 -3.15498 223.439 -200.062 -162.153 -3.15406 -162.154 -468.42 GPRESSURE: 1395200 278.196 208.638 47.4852 243.395 -173.653 -188.795 61.934 -23.3352 -491.385 PRESSAVG: 1395200 -9.49082 14.8324 6.57373 14.8324 11.9572 -26.5421 6.57372 -26.5421 -6.51735 GPRESSAVG: 1395200 -8.69994 13.3974 3.56287 16.2773 11.5918 -26.836 10.1693 -22.569 -7.53611 TIMING: 1395200 CPU: 4478.78, 0.00318054/step Wall: 4478.78, 0.00318054/step, 3.18478 hours remaining, 231.566406 MB of memory in use. ENERGY: 1395200 4029.9051 20477.9709 14504.5635 265.4330 -203110.6515 2467.6836 0.0000 0.0000 51885.1099 -109479.9855 298.1844 -161365.0954 -109111.0130 299.0954 -165.4933 -128.9473 762195.2537 -1.3503 -1.5481 PRESSURE: 1395400 -171.383 -74.6138 125.202 -74.6139 -83.6018 -47.3072 125.201 -47.3076 246.666 GPRESSURE: 1395400 -160.399 45.2448 148.482 15.3531 -58.9447 -16.3393 14.8356 -105.54 302.502 PRESSAVG: 1395400 29.8794 18.4475 10.2781 18.4474 -18.3224 -24.3537 10.2781 -24.3536 14.0692 GPRESSAVG: 1395400 29.8275 18.5495 12.1243 17.7755 -18.2008 -24.6025 6.83363 -25.4923 14.0896 TIMING: 1395400 CPU: 4479.42, 0.00319644/step Wall: 4479.42, 0.00319644/step, 3.20052 hours remaining, 231.566406 MB of memory in use. ENERGY: 1395400 3993.0873 20616.9370 14431.6731 234.3288 -203193.8047 2564.9460 0.0000 0.0000 51831.1346 -109521.6978 297.8742 -161352.8325 -109166.0627 299.0608 -2.7730 27.7194 762068.6745 8.5421 8.5721 PRESSURE: 1395600 488.673 -9.21914 23.4385 -9.21913 -191.314 200.29 23.4383 200.29 228.146 GPRESSURE: 1395600 495.328 98.0158 34.5691 -30.4186 -65.7945 132.547 -202.455 149.132 171.301 PRESSAVG: 1395600 57.6815 -54.3439 -0.659939 -54.3439 -18.7444 -22.9652 -0.659961 -22.9653 -10.325 GPRESSAVG: 1395600 56.6365 -54.264 -0.55357 -52.9447 -18.3361 -21.9888 -2.23567 -23.2112 -10.0484 TIMING: 1395600 CPU: 4480.05, 0.0031738/step Wall: 4480.05, 0.0031738/step, 3.17768 hours remaining, 231.566406 MB of memory in use. ENERGY: 1395600 3972.0669 20512.7645 14424.5954 252.3233 -203288.1208 2558.7019 0.0000 0.0000 52201.2741 -109366.3948 300.0014 -161567.6689 -108997.6587 299.3785 175.1687 200.2781 760526.5746 9.5373 9.4174 PRESSURE: 1395800 -205.237 -104.038 -190.94 -104.037 18.7946 99.9951 -190.939 99.9942 -137.561 GPRESSURE: 1395800 -82.2142 -120.42 -151.721 61.8885 -15.488 112.171 -59.0204 84.314 -158.103 PRESSAVG: 1395800 11.2023 -37.4715 25.859 -37.4715 10.6665 -3.99867 25.859 -3.99862 -11.0555 GPRESSAVG: 1395800 12.2448 -35.9798 26.5093 -38.0021 10.5092 -5.77229 28.37 -4.35431 -12.1836 TIMING: 1395800 CPU: 4480.69, 0.00319072/step Wall: 4480.69, 0.00319072/step, 3.19444 hours remaining, 231.566406 MB of memory in use. ENERGY: 1395800 3953.7484 20367.2436 14522.5876 231.4167 -203327.2209 2599.6950 0.0000 0.0000 52281.1262 -109371.4034 300.4604 -161652.5296 -109006.8099 299.4055 -108.0011 -85.2683 760287.4885 3.6044 3.5235 PRESSURE: 1396000 83.9536 -30.2229 -1.82483 -30.2218 40.0027 19.3688 -1.82421 19.3692 -19.9477 GPRESSURE: 1396000 90.5455 -61.0106 -43.7939 -221.655 65.4765 27.7182 -105.593 141.303 55.7421 PRESSAVG: 1396000 17.9361 -20.9638 20.4938 -20.9638 -5.73455 -9.62462 20.4938 -9.62467 -0.795122 GPRESSAVG: 1396000 17.3793 -22.0882 20.5347 -20.8623 -4.55835 -7.71691 19.9022 -9.607 -1.71348 TIMING: 1396000 CPU: 4481.34, 0.00323058/step Wall: 4481.34, 0.00323058/step, 3.23417 hours remaining, 231.566406 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: 1396000 4028.0350 20416.9374 14480.6880 241.0120 -203116.7686 2372.3516 0.0000 0.0000 52226.3985 -109351.3462 300.1458 -161577.7447 -108990.9510 299.4813 34.6695 70.5880 760152.4002 3.8021 3.7025 PRESSURE: 1396200 47.2814 7.87202 61.3464 7.87108 -11.2225 -190.512 61.3459 -190.511 -147.539 GPRESSURE: 1396200 49.8151 63.7419 147.007 -92.6493 17.0143 -117.309 116.026 -139.555 -99.9918 PRESSAVG: 1396200 -21.7444 -46.7119 13.2176 -46.7119 -2.86673 57.1938 13.2176 57.1938 -8.50708 GPRESSAVG: 1396200 -22.3854 -48.4523 13.233 -47.4792 -3.72678 54.8817 13.0682 58.85 -6.73473 TIMING: 1396200 CPU: 4481.97, 0.00318801/step Wall: 4481.97, 0.00318801/step, 3.19138 hours remaining, 231.566406 MB of memory in use. ENERGY: 1396200 3998.3058 20399.2883 14557.0316 256.5023 -202864.1789 2288.4438 0.0000 0.0000 52122.9906 -109241.6166 299.5515 -161364.6071 -108872.6588 299.6103 -37.1599 -11.0541 761538.6334 -11.0394 -10.9490 LDB: ============= START OF LOAD BALANCING ============== 4494.4 LDB: ============== END OF LOAD BALANCING =============== 4494.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4494.4 LDB: ============= START OF LOAD BALANCING ============== 4494.72 LDB: Largest compute 7031 load 0.033437 is 17.1% of average load 0.195263 LDB: Average compute 0.004391 is 2.2% of average load 0.195263 LDB: TIME 4494.72 LOAD: AVG 0.195263 MAX 0.211179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.859 MB LDB: TIME 4494.72 LOAD: AVG 0.195263 MAX 0.211179 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.863 MB LDB: TIME 4494.72 LOAD: AVG 0.195263 MAX 0.211179 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.863 MB LDB: ============== END OF LOAD BALANCING =============== 4494.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4494.73 PRESSURE: 1396400 -56.9576 48.4363 28.1421 48.4354 -22.2679 -62.3086 28.1423 -62.3081 -352.797 GPRESSURE: 1396400 -34.2004 -97.5498 17.5856 92.2509 -25.5049 -7.17018 -3.71536 -13.4815 -262.826 PRESSAVG: 1396400 -66.235 15.3971 26.1133 15.3971 84.1871 8.5089 26.1133 8.50887 6.23298 GPRESSAVG: 1396400 -65.7116 17.0451 25.5083 14.0212 83.883 8.86817 26.3871 5.65689 5.75509 TIMING: 1396400 CPU: 4482.62, 0.00324422/step Wall: 4482.62, 0.00324422/step, 3.24747 hours remaining, 232.851562 MB of memory in use. ENERGY: 1396400 3934.3332 20537.5570 14445.2096 262.5684 -203217.6169 2474.1342 0.0000 0.0000 51942.8191 -109620.9954 298.5161 -161563.8144 -109260.2587 299.2581 -144.0074 -107.5105 760685.0530 8.0617 7.9755 PRESSURE: 1396600 266.677 -161.105 -221.379 -161.105 4.65552 109.797 -221.379 109.797 295.989 GPRESSURE: 1396600 254.835 -153.503 -287.871 -117.337 69.7147 95.2189 -241.372 126.734 323.903 PRESSAVG: 1396600 6.1895 -47.7583 -31.2665 -47.7583 19.694 -15.75 -31.2666 -15.75 11.9115 GPRESSAVG: 1396600 6.55904 -48.9718 -31.5634 -45.2867 19.814 -16.1072 -32.3135 -14.2992 11.3709 TIMING: 1396600 CPU: 4483.26, 0.00316856/step Wall: 4483.26, 0.00316856/step, 3.17155 hours remaining, 232.851562 MB of memory in use. ENERGY: 1396600 3893.6503 20487.2166 14450.2899 250.6574 -203444.9345 2624.0455 0.0000 0.0000 52109.8184 -109629.2565 299.4758 -161739.0749 -109278.1431 298.9807 189.1072 216.1506 759064.4964 12.5983 12.5813 PRESSURE: 1396800 -132.975 -156.595 35.6686 -156.595 12.1378 133.37 35.6684 133.371 -44.8633 GPRESSURE: 1396800 -65.0626 -222 25.337 -216.599 25.5729 161.63 165.784 153.85 -46.159 PRESSAVG: 1396800 18.6731 10.9735 35.0937 10.9735 -51.8792 31.2126 35.0937 31.2126 -15.6778 GPRESSAVG: 1396800 19.2088 12.0576 35.0005 10.2697 -52.9247 31.4036 35.7031 30.7253 -15.88 TIMING: 1396800 CPU: 4483.89, 0.00316029/step Wall: 4483.89, 0.00316029/step, 3.1631 hours remaining, 232.851562 MB of memory in use. ENERGY: 1396800 4030.8497 20329.0623 14526.8191 248.9800 -203323.9104 2533.6295 0.0000 0.0000 52064.0500 -109590.5197 299.2128 -161654.5697 -109234.9517 298.6299 -55.2337 -28.5495 760864.1444 -16.2946 -16.5320 PRESSURE: 1397000 -227.935 -28.4198 -263.674 -28.4191 237.854 -231.381 -263.675 -231.38 404.812 GPRESSURE: 1397000 -188.786 42.1777 -255.008 -66.2369 301.067 -226.771 -245.666 -294.603 392.946 PRESSAVG: 1397000 -22.9495 -18.4906 26.68 -18.4905 50.1619 -24.7801 26.68 -24.7799 14.6856 GPRESSAVG: 1397000 -22.9326 -18.2038 26.3657 -18.5896 49.7603 -23.5921 27.344 -24.4945 15.6623 TIMING: 1397000 CPU: 4484.52, 0.00317948/step Wall: 4484.52, 0.00317948/step, 3.18213 hours remaining, 232.851562 MB of memory in use. ENERGY: 1397000 3951.6780 20426.6616 14528.7228 255.5384 -203263.2136 2363.3357 0.0000 0.0000 52167.0080 -109570.2690 299.8045 -161737.2770 -109197.4811 299.1600 138.2437 168.4090 760529.0180 13.9660 14.1633 PRESSURE: 1397200 -395.338 -60.5254 -70.0213 -60.5262 57.3503 -74.5805 -70.021 -74.5795 -534.083 GPRESSURE: 1397200 -317.534 -59.3363 -78.1766 -98.7301 46.6911 27.323 9.13169 -92.9768 -522.997 PRESSAVG: 1397200 -23.243 -35.9252 19.5453 -35.9251 23.4283 -20.4166 19.5453 -20.4167 -6.09222 GPRESSAVG: 1397200 -22.5628 -34.1529 19.6773 -37.3297 23.7572 -20.5951 18.6415 -18.5569 -7.23024 TIMING: 1397200 CPU: 4485.16, 0.0031872/step Wall: 4485.16, 0.0031872/step, 3.18967 hours remaining, 232.851562 MB of memory in use. ENERGY: 1397200 4096.0363 20533.7814 14483.1618 248.7810 -202983.3065 2225.7698 0.0000 0.0000 51976.7398 -109419.0366 298.7110 -161395.7763 -109053.7883 299.2559 -290.6902 -264.6133 760708.7527 -1.9690 -2.0119 PRESSURE: 1397400 -66.4952 188.821 44.5063 188.822 -238.589 -24.6086 44.5066 -24.6083 -201.066 GPRESSURE: 1397400 -119.387 184.899 38.334 108.396 -167.495 39.6096 -62.0347 -15.8751 -148.586 PRESSAVG: 1397400 -47.8059 -15.3309 54.446 -15.3309 5.08178 -41.086 54.4459 -41.0859 18.1809 GPRESSAVG: 1397400 -48.7579 -16.5669 54.2252 -15.7238 5.03428 -40.6969 55.6641 -40.9097 18.3819 TIMING: 1397400 CPU: 4485.8, 0.00320037/step Wall: 4485.8, 0.00320037/step, 3.20268 hours remaining, 232.851562 MB of memory in use. ENERGY: 1397400 3979.2268 20508.7953 14489.8067 253.7128 -202915.5335 2274.1450 0.0000 0.0000 51889.9700 -109519.8768 298.2124 -161409.8469 -109158.4735 299.0743 -168.7168 -145.1557 762538.2742 -8.1811 -8.4472 PRESSURE: 1397600 101.305 -157.235 -161.571 -157.236 190.282 95.1143 -161.571 95.1146 348.59 GPRESSURE: 1397600 206.978 -146.395 -122.242 -140.651 141.287 92.6431 -43.428 115.374 363.675 PRESSAVG: 1397600 -58.026 -21.6622 -3.15705 -21.6622 3.08157 -20.2705 -3.15702 -20.2706 9.34051 GPRESSAVG: 1397600 -57.4823 -20.624 -2.08154 -20.7158 2.58616 -21.7911 -3.51687 -21.9324 9.54646 TIMING: 1397600 CPU: 4486.44, 0.00317993/step Wall: 4486.44, 0.00317993/step, 3.18205 hours remaining, 232.851562 MB of memory in use. ENERGY: 1397600 3998.2938 20379.7577 14407.7396 274.3113 -203681.4763 2892.2719 0.0000 0.0000 52158.8330 -109570.2689 299.7575 -161729.1020 -109201.0733 298.8276 213.3922 237.3133 761951.0307 -15.2013 -15.1165 PRESSURE: 1397800 -53.233 -142.945 57.1826 -142.946 13.5655 -61.5425 57.1825 -61.5414 311.322 GPRESSURE: 1397800 -92.2099 -133.31 147.139 -144.223 134.679 -69.5403 85.9836 -20.12 308.575 PRESSAVG: 1397800 -50.3685 -35.1691 13.3113 -35.1691 28.6994 15.2349 13.3112 15.2349 -8.89883 GPRESSAVG: 1397800 -51.5928 -36.7405 13.2152 -33.1552 28.8293 15.759 12.402 15.8393 -8.12368 TIMING: 1397800 CPU: 4487.07, 0.00316356/step Wall: 4487.07, 0.00316356/step, 3.16549 hours remaining, 232.851562 MB of memory in use. ENERGY: 1397800 3943.2196 20631.7637 14433.6504 238.7717 -203179.0342 2585.2823 0.0000 0.0000 52049.4220 -109296.9246 299.1287 -161346.3466 -108933.6293 299.4095 90.5513 117.0147 760866.6294 -10.1893 -10.2957 PRESSURE: 1398000 -153.928 69.4764 82.2833 69.4772 88.1296 15.5067 82.2834 15.5071 -21.3125 GPRESSURE: 1398000 -114.43 140.279 110.981 78.307 132.16 -94.9394 41.3743 28.8178 -21.1559 PRESSAVG: 1398000 -60.955 -14.8916 42.0424 -14.8915 50.8402 25.7669 42.0423 25.7668 24.4381 GPRESSAVG: 1398000 -60.4499 -15.1929 42.1623 -14.9523 51.1911 25.8393 42.9619 26.0879 23.5985 TIMING: 1398000 CPU: 4487.7, 0.00317129/step Wall: 4487.7, 0.00317129/step, 3.17305 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1398000 4002.8354 20554.4124 14437.1016 248.4629 -203280.1646 2549.8877 0.0000 0.0000 52222.8410 -109264.6236 300.1254 -161487.4645 -108907.0711 299.5450 -29.0368 -1.1417 760132.5640 4.7744 4.7799 PRESSURE: 1398200 -722.608 0.693481 50.37 0.693004 -232.53 -230.919 50.3699 -230.919 9.70034 GPRESSURE: 1398200 -654.61 101.594 -68.5345 -39.9217 -179.928 -181.788 112.55 -216.209 -12.3074 PRESSAVG: 1398200 -38.3268 12.9998 23.0176 12.9998 76.4494 -5.35994 23.0176 -5.35993 1.26586 GPRESSAVG: 1398200 -37.6143 13.8093 22.4801 10.3267 76.052 -5.79428 21.6107 -5.47429 1.08585 TIMING: 1398200 CPU: 4488.34, 0.00317023/step Wall: 4488.34, 0.00317023/step, 3.17182 hours remaining, 232.851562 MB of memory in use. ENERGY: 1398200 4005.8359 20588.5218 14437.7132 257.3055 -203125.8586 2279.0654 0.0000 0.0000 52128.3403 -109429.0764 299.5823 -161557.4167 -109059.3235 299.8255 -315.1457 -282.2817 759482.8251 13.1295 13.1745 PRESSURE: 1398400 181.552 3.12993 49.4271 3.12979 -20.6195 198.174 49.4266 198.174 -368.183 GPRESSURE: 1398400 243.766 36.5171 -34.8453 38.128 -43.3316 147.024 129.56 124.887 -299.117 PRESSAVG: 1398400 -85.3583 14.9813 -9.53202 14.9813 71.6759 4.24109 -9.53202 4.24113 -10.7595 GPRESSAVG: 1398400 -86.033 11.8914 -8.56812 16.4702 71.8347 3.44802 -9.42956 4.40737 -10.3891 TIMING: 1398400 CPU: 4488.97, 0.00317175/step Wall: 4488.97, 0.00317175/step, 3.17316 hours remaining, 232.851562 MB of memory in use. ENERGY: 1398400 3976.6268 20480.4159 14458.5859 257.8534 -202525.3557 1889.8648 0.0000 0.0000 51999.0130 -109462.9959 298.8390 -161462.0089 -109103.5831 299.5064 -69.0834 -32.8941 760256.7468 -8.1473 -8.1958 PRESSURE: 1398600 -71.4332 -345.19 3.91205 -345.19 -6.13918 -40.8476 3.91207 -40.8474 239.262 GPRESSURE: 1398600 -4.28474 -211.23 -34.5234 -272.558 25.6578 -93.0557 -8.37287 30.7491 223.369 PRESSAVG: 1398600 -71.371 -72.8616 -4.34125 -72.8616 73.7656 2.67389 -4.3413 2.67379 17.6725 GPRESSAVG: 1398600 -70.4593 -70.4434 -4.245 -74.0784 73.3435 4.46687 -5.116 3.54265 17.1677 TIMING: 1398600 CPU: 4489.61, 0.00316264/step Wall: 4489.61, 0.00316264/step, 3.16387 hours remaining, 232.851562 MB of memory in use. ENERGY: 1398600 4005.6918 20613.4293 14400.5313 238.3721 -203924.9657 2925.0588 0.0000 0.0000 52267.1667 -109474.7157 300.3801 -161741.8825 -109115.9458 299.3438 53.8966 81.5806 759615.6913 6.6890 6.6840 PRESSURE: 1398800 -156.338 44.6922 288.339 44.6914 -179.251 7.66014 288.338 7.66047 75.4963 GPRESSURE: 1398800 -94.1978 8.0778 309.117 60.1823 -114.384 12.6996 347.914 -47.6306 32.4519 PRESSAVG: 1398800 -30.0111 -53.8423 16.4631 -53.8423 -10.8855 47.8779 16.463 47.8778 22.3217 GPRESSAVG: 1398800 -31.0611 -50.7325 15.716 -52.9998 -9.29357 49.5632 16.73 46.173 21.4605 TIMING: 1398800 CPU: 4490.24, 0.00316323/step Wall: 4490.24, 0.00316323/step, 3.16428 hours remaining, 232.851562 MB of memory in use. ENERGY: 1398800 3875.5770 20458.4452 14479.2557 238.0641 -203067.5008 2266.5847 0.0000 0.0000 52282.4487 -109467.1254 300.4680 -161749.5741 -109100.2638 299.5398 -86.6975 -58.7099 761909.1220 -6.1916 -6.2980 PRESSURE: 1399000 -83.1353 95.3271 -85.8318 95.3274 -37.0693 -357.971 -85.8316 -357.971 63.8477 GPRESSURE: 1399000 -65.6281 -91.0714 -167.91 128.184 22.6783 -370.682 -95.5681 -203.517 67.953 PRESSAVG: 1399000 6.68316 -15.6795 -19.7035 -15.6794 11.1633 -36.9278 -19.7036 -36.9277 12.9678 GPRESSAVG: 1399000 6.35079 -21.1095 -19.2166 -15.0143 8.90619 -39.0427 -18.4508 -32.7048 14.5227 TIMING: 1399000 CPU: 4490.87, 0.00316153/step Wall: 4490.87, 0.00316153/step, 3.16241 hours remaining, 232.851562 MB of memory in use. ENERGY: 1399000 3972.8491 20496.9120 14479.7202 238.0099 -203383.7425 2615.1983 0.0000 0.0000 52089.0850 -109491.9680 299.3567 -161581.0530 -109128.1713 299.2624 -18.7856 8.3344 759819.0798 10.2714 9.9266 PRESSURE: 1399200 -211.945 -108.991 10.6686 -108.99 -110.036 -104.357 10.669 -104.356 580.487 GPRESSURE: 1399200 -111.309 55.221 -12.0224 -128.045 -157.03 -26.4929 12.3943 -227.333 644.713 PRESSAVG: 1399200 -60.2946 -68.7063 -16.8744 -68.7063 10.9428 -1.78126 -16.8744 -1.7812 17.1539 GPRESSAVG: 1399200 -60.9269 -65.6698 -17.2217 -69.7326 12.0059 -1.56499 -17.9606 -5.13583 16.3133 TIMING: 1399200 CPU: 4491.51, 0.00319087/step Wall: 4491.51, 0.00319087/step, 3.19158 hours remaining, 232.851562 MB of memory in use. ENERGY: 1399200 3860.4259 20471.5437 14515.8754 239.7472 -202938.3088 2195.5575 0.0000 0.0000 52423.5178 -109231.6413 301.2787 -161655.1591 -108859.9521 299.1853 86.1689 125.4579 758910.5704 -10.7326 -10.8692 PRESSURE: 1399400 137.79 37.4822 249.407 37.4819 106.906 1.18671 249.407 1.18614 -145.364 GPRESSURE: 1399400 146.093 -69.7316 110.988 103.289 186.177 -21.7463 242.186 -136.584 -131.682 PRESSAVG: 1399400 -123.494 -40.7136 -16.3569 -40.7137 76.0677 -14.0488 -16.3569 -14.0488 20.8966 GPRESSAVG: 1399400 -123.047 -41.023 -16.1665 -39.0399 75.6287 -14.6526 -15.7447 -14.6622 20.8716 TIMING: 1399400 CPU: 4492.15, 0.0031894/step Wall: 4492.15, 0.0031894/step, 3.18993 hours remaining, 232.851562 MB of memory in use. ENERGY: 1399400 4015.1400 20533.9704 14455.9076 251.3976 -202959.1094 2402.8907 0.0000 0.0000 52031.0910 -109268.7121 299.0234 -161299.8031 -108897.5091 299.5829 33.1107 66.8629 758885.9396 -8.8433 -8.8488 PRESSURE: 1399600 352.305 75.0011 -322.936 75.0009 -20.0119 -141.517 -322.935 -141.517 175.592 GPRESSURE: 1399600 282.661 -45.2218 -314.047 -94.4726 42.6299 -105.377 -282.698 -163.808 259.438 PRESSAVG: 1399600 -9.71245 -31.9005 -43.4384 -31.9005 -5.59153 -20.795 -43.4383 -20.795 5.9757 GPRESSAVG: 1399600 -9.44789 -34.8952 -44.46 -31.6191 -5.60739 -20.0832 -42.2134 -19.4703 5.57645 TIMING: 1399600 CPU: 4492.79, 0.00322622/step Wall: 4492.79, 0.00322622/step, 3.22658 hours remaining, 232.851562 MB of memory in use. ENERGY: 1399600 3969.1933 20603.3164 14426.2550 253.2799 -202927.9146 2373.8886 0.0000 0.0000 52246.7536 -109055.2278 300.2628 -161301.9814 -108699.3073 299.8206 169.2950 194.9098 760839.2398 -3.1094 -3.1596 PRESSURE: 1399800 -193.196 -51.1156 -127.171 -51.1157 -240.98 74.8636 -127.171 74.8649 -156.613 GPRESSURE: 1399800 -103.735 20.3208 -64.0375 -13.6196 -200.473 51.6064 -167.422 92.6455 -203.824 PRESSAVG: 1399800 -24.8714 -39.2607 14.2144 -39.2606 22.3501 15.7326 14.2144 15.7327 6.67971 GPRESSAVG: 1399800 -24.8491 -35.852 16.2655 -42.7107 22.3153 15.5579 12.1926 17.2074 7.03744 TIMING: 1399800 CPU: 4493.42, 0.00316509/step Wall: 4493.42, 0.00316509/step, 3.16526 hours remaining, 232.851562 MB of memory in use. ENERGY: 1399800 4021.0566 20668.8278 14479.2347 246.2590 -202893.5738 2205.6437 0.0000 0.0000 52212.6783 -109059.8737 300.0670 -161272.5520 -108693.4004 300.3306 -196.9296 -169.3438 760369.4379 1.3862 1.5012 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400000 -28.734 22.2304 125.826 22.2306 -14.6359 -433.032 125.826 -433.031 -129.793 GPRESSURE: 1400000 91.1339 34.4523 106.9 -108.34 -54.7473 -313.532 52.648 -326.474 -91.2994 PRESSAVG: 1400000 -30.6397 -14.1445 -5.71687 -14.1445 39.5446 28.1127 -5.71688 28.1127 -1.80446 GPRESSAVG: 1400000 -30.0201 -15.949 -6.71288 -11.8098 39.3111 29.2412 -6.15819 27.3678 -1.85546 TIMING: 1400000 CPU: 4494.07, 0.0032495/step Wall: 4494.07, 0.0032495/step, 3.2495 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1400000 4021.9404 20496.3249 14500.8538 243.7792 -203090.4249 2557.1779 0.0000 0.0000 52079.5110 -109190.8377 299.3017 -161270.3487 -108832.6306 300.0143 -57.7208 -18.3043 761300.4312 2.3668 2.4785 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 PRESSURE: 1400200 305.941 133.658 124.468 133.658 -3.53865 -122.735 124.468 -122.736 -24.4839 GPRESSURE: 1400200 292.773 128.612 65.0294 28.2556 11.9318 -117.443 8.78121 -209.828 44.8311 PRESSAVG: 1400200 -10.0404 -1.11262 -0.200887 -1.11266 42.2577 7.55661 -0.20096 7.55657 10.8133 GPRESSAVG: 1400200 -10.4254 0.408737 0.0941635 -1.21676 42.1936 6.51346 -0.39289 7.08681 10.975 TIMING: 1400200 CPU: 4494.7, 0.00313883/step Wall: 4494.7, 0.00313883/step, 3.13866 hours remaining, 232.851562 MB of memory in use. ENERGY: 1400200 3986.9556 20695.2965 14408.4414 254.6307 -203197.3286 2536.6514 0.0000 0.0000 52009.6112 -109305.7418 298.9000 -161315.3531 -108948.1067 300.0046 92.6396 116.5121 759744.7720 14.3435 14.2477 LDB: ============= START OF LOAD BALANCING ============== 4507.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4507.12 LDB: =============== DONE WITH MIGRATION ================ 4507.12 LDB: ============= START OF LOAD BALANCING ============== 4507.44 LDB: Largest compute 7073 load 0.035306 is 18.1% of average load 0.195215 LDB: Average compute 0.004402 is 2.3% of average load 0.195215 LDB: TIME 4507.44 LOAD: AVG 0.195215 MAX 0.210546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.012 MB LDB: TIME 4507.44 LOAD: AVG 0.195215 MAX 0.210546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.012 MB LDB: TIME 4507.44 LOAD: AVG 0.195215 MAX 0.210546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.012 MB LDB: ============== END OF LOAD BALANCING =============== 4507.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4507.45 PRESSURE: 1400400 -254.768 -318.313 170.595 -318.313 -145.413 97.779 170.594 97.7785 -473.774 GPRESSURE: 1400400 -259.802 -219.643 149.92 -174.049 -85.1465 52.2508 288.809 107.151 -444.997 PRESSAVG: 1400400 24.3039 -46.8094 -30.4469 -46.8094 -19.6931 12.8675 -30.4469 12.8675 12.8078 GPRESSAVG: 1400400 23.5296 -47.3144 -29.4618 -45.4091 -19.3507 12.1881 -28.0504 12.5669 12.8393 TIMING: 1400400 CPU: 4495.34, 0.00320654/step Wall: 4495.34, 0.00320654/step, 3.20618 hours remaining, 232.199219 MB of memory in use. ENERGY: 1400400 4044.8582 20650.8059 14421.3111 243.4012 -203173.8109 2398.7784 0.0000 0.0000 52100.9183 -109313.7379 299.4247 -161414.6562 -108952.5962 299.8336 -291.3183 -263.3150 761212.4730 5.8062 5.6727 PRESSURE: 1400600 73.8208 133.539 238.261 133.539 -213.571 -11.8933 238.261 -11.8926 286.566 GPRESSURE: 1400600 62.7802 72.2625 228.783 113.053 -176.679 11.754 230.455 -80.3067 317.611 PRESSAVG: 1400600 8.04696 -28.6387 -14.5448 -28.6387 -2.73479 8.69907 -14.5448 8.69899 31.5309 GPRESSAVG: 1400600 8.80077 -28.9394 -15.6638 -29.5588 -3.97707 8.2332 -17.0709 8.3498 31.746 TIMING: 1400600 CPU: 4495.98, 0.00315916/step Wall: 4495.98, 0.00315916/step, 3.15863 hours remaining, 232.402344 MB of memory in use. ENERGY: 1400600 3996.4120 20526.7619 14485.3250 253.0160 -203408.8145 2477.3074 0.0000 0.0000 52192.2679 -109477.7244 299.9497 -161669.9923 -109116.1679 299.7642 48.9387 67.9042 760737.4429 12.2810 12.1899 PRESSURE: 1400800 403.487 -119.629 -69.7069 -119.629 291.446 38.3812 -69.7067 38.3815 404.032 GPRESSURE: 1400800 377.765 -191.134 -155.261 -59.6902 398.917 12.8169 -44.6786 78.8702 403.662 PRESSAVG: 1400800 30.089 -60.3943 -21.7543 -60.3943 -32.4444 7.2118 -21.7544 7.21181 28.3791 GPRESSAVG: 1400800 29.5769 -59.5054 -21.3786 -61.652 -31.4494 7.19237 -22.3743 9.68841 27.3514 TIMING: 1400800 CPU: 4496.62, 0.00322187/step Wall: 4496.62, 0.00322187/step, 3.22116 hours remaining, 232.402344 MB of memory in use. ENERGY: 1400800 3951.9319 20508.9257 14409.5125 252.1942 -203813.0792 2911.2392 0.0000 0.0000 52320.7795 -109458.4963 300.6882 -161779.2758 -109091.7268 299.8096 366.3216 393.4477 758825.7979 8.6746 8.4930 PRESSURE: 1401000 -83.0162 105.722 -113.665 105.722 2.65673 -171.23 -113.665 -171.23 -20.229 GPRESSURE: 1401000 -67.2725 -19.5992 -75.2877 106.603 28.6539 -138.355 -14.8628 -210.146 37.602 PRESSAVG: 1401000 26.6215 -42.4293 6.24379 -42.4293 -43.1144 32.3592 6.24384 32.3591 6.93463 GPRESSAVG: 1401000 25.8556 -44.0347 7.18042 -40.9494 -44.3359 33.3862 10.3935 31.9167 8.57301 TIMING: 1401000 CPU: 4497.26, 0.00319698/step Wall: 4497.26, 0.00319698/step, 3.19609 hours remaining, 232.402344 MB of memory in use. ENERGY: 1401000 3929.9344 20740.0020 14535.9904 245.7865 -203437.9154 2469.1733 0.0000 0.0000 52148.9121 -109368.1166 299.7005 -161517.0287 -109004.1293 299.9512 -33.5295 -0.3389 759862.4146 -3.1861 -3.3024 PRESSURE: 1401200 186.27 121.189 -127.054 121.189 -71.322 101.454 -127.053 101.454 34.8324 GPRESSURE: 1401200 155.643 87.4988 -140.296 221.885 15.6673 114.289 -144.707 107.485 80.4309 PRESSAVG: 1401200 22.7891 -29.5148 35.6633 -29.5148 -18.5893 2.29423 35.6633 2.29422 7.51695 GPRESSAVG: 1401200 24.3471 -28.6319 33.877 -30.499 -17.8418 1.95318 32.8395 0.186635 5.23014 TIMING: 1401200 CPU: 4497.9, 0.00321071/step Wall: 4497.9, 0.00321071/step, 3.20964 hours remaining, 232.402344 MB of memory in use. ENERGY: 1401200 3926.5428 20424.2270 14511.5039 266.0399 -203340.7439 2477.6460 0.0000 0.0000 52326.9175 -109407.8669 300.7235 -161734.7844 -109040.1326 299.8720 49.9270 83.9138 759893.8467 3.9056 3.9118 PRESSURE: 1401400 398.815 -22.7399 -27.9065 -22.7397 239.02 95.5317 -27.907 95.5307 -65.7889 GPRESSURE: 1401400 351.471 0.0671504 -0.594282 -7.26792 279.715 42.1088 -65.369 164.49 25.1854 PRESSAVG: 1401400 7.79697 5.28444 -12.7621 5.28446 -35.8337 -27.3076 -12.7622 -27.3076 21.9302 GPRESSAVG: 1401400 6.5724 6.59962 -13.211 5.11914 -36.976 -26.22 -13.0003 -26.6051 23.8615 TIMING: 1401400 CPU: 4498.54, 0.00317309/step Wall: 4498.54, 0.00317309/step, 3.17185 hours remaining, 232.402344 MB of memory in use. ENERGY: 1401400 3940.6069 20516.7344 14493.9670 241.4982 -203832.7527 2722.8063 0.0000 0.0000 52224.8340 -109692.3058 300.1368 -161917.1398 -109326.2996 299.5794 190.6820 218.7906 759212.6504 -2.0355 -2.1807 PRESSURE: 1401600 31.4563 146.941 1.71316 146.941 34.4237 -114.567 1.71356 -114.567 -156.629 GPRESSURE: 1401600 34.0024 144.496 44.6407 124.905 112.594 -117.942 91.5284 -47.5223 -132.601 PRESSAVG: 1401600 14.2563 -19.1016 13.5911 -19.1016 -36.3774 12.2613 13.5911 12.2614 -2.90693 GPRESSAVG: 1401600 15.1346 -20.3061 13.426 -17.1043 -36.0657 10.6444 14.0297 13.135 -3.48816 TIMING: 1401600 CPU: 4499.18, 0.00321384/step Wall: 4499.18, 0.00321384/step, 3.21241 hours remaining, 232.402344 MB of memory in use. ENERGY: 1401600 3954.9084 20617.4559 14511.5233 252.5274 -203149.4452 2200.0659 0.0000 0.0000 52216.5998 -109396.3644 300.0895 -161612.9643 -109047.6910 299.4909 -30.2496 4.6649 759963.2939 -8.3427 -8.1398 PRESSURE: 1401800 -11.2474 21.8726 216.123 21.8723 157.216 311.972 216.122 311.972 449.656 GPRESSURE: 1401800 60.6604 -41.584 211.1 -54.0956 204.218 276.509 109.516 330.216 419.596 PRESSAVG: 1401800 -3.52695 -55.699 -33.9198 -55.6989 -19.3136 34.9323 -33.9197 34.9323 0.0297682 GPRESSAVG: 1401800 -3.58791 -54.6552 -31.8083 -56.4818 -18.485 36.9211 -36.0042 33.303 -1.14192 TIMING: 1401800 CPU: 4499.82, 0.00320858/step Wall: 4499.82, 0.00320858/step, 3.20697 hours remaining, 232.402344 MB of memory in use. ENERGY: 1401800 3938.5582 20565.1561 14475.9005 251.7335 -203240.9415 2297.1727 0.0000 0.0000 52260.5264 -109451.8941 300.3420 -161712.4204 -109086.7706 300.3569 198.5417 228.1584 759247.7848 -7.6036 -7.7383 PRESSURE: 1402000 16.4302 211.657 76.8068 211.657 -23.2627 -238.266 76.8061 -238.266 86.7216 GPRESSURE: 1402000 106.743 124.582 23.811 138.74 31.3079 -233.883 90.7236 -212.701 32.7593 PRESSAVG: 1402000 -3.32136 -3.40404 -10.5559 -3.40399 35.5757 2.13238 -10.556 2.13224 18.3267 GPRESSAVG: 1402000 -3.19677 -4.68981 -11.726 -3.17675 35.8923 2.16592 -8.7224 1.63497 18.4796 TIMING: 1402000 CPU: 4500.46, 0.00317561/step Wall: 4500.46, 0.00317561/step, 3.17385 hours remaining, 232.402344 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: 1402000 3873.4885 20596.1726 14433.2891 258.2563 -203197.5253 2329.9203 0.0000 0.0000 52333.1300 -109373.2686 300.7592 -161706.3986 -109006.1603 300.6912 26.6297 56.9367 760313.6831 16.8603 17.0584 PRESSURE: 1402200 -146.42 158.575 -38.39 158.574 -105.264 40.8274 -38.3903 40.8269 -398.234 GPRESSURE: 1402200 -220.514 97.9005 15.4527 193.133 28.2202 38.7885 32.6639 48.559 -378.205 PRESSAVG: 1402200 -16.4397 7.19634 -11.6182 7.19625 -3.9417 -4.99595 -11.6182 -4.99603 -5.89553 GPRESSAVG: 1402200 -17.9093 7.98943 -11.7286 6.15104 -4.1269 -5.40652 -11.5375 -1.8249 -4.28016 TIMING: 1402200 CPU: 4501.1, 0.00319999/step Wall: 4501.1, 0.00319999/step, 3.19803 hours remaining, 232.402344 MB of memory in use. ENERGY: 1402200 4029.0983 20601.5846 14446.4688 274.9196 -203252.1155 2502.7648 0.0000 0.0000 51992.2048 -109405.0747 298.7999 -161397.2795 -109048.7588 300.2454 -216.6395 -190.1666 761326.1766 -8.7590 -8.7721 PRESSURE: 1402400 -165.427 -6.44625 -58.7452 -6.4471 198.728 -79.4941 -58.7451 -79.4936 169.884 GPRESSURE: 1402400 -202.567 111.57 -140.521 -44.9183 225.926 -40.544 -118.131 -26.1293 254.815 PRESSAVG: 1402400 -28.3941 -15.8148 26.6077 -15.8149 16.3581 -6.02162 26.6077 -6.0216 5.81291 GPRESSAVG: 1402400 -26.525 -17.166 25.3414 -14.7142 14.5674 -6.76061 27.2332 -7.98472 5.57963 TIMING: 1402400 CPU: 4501.73, 0.0031609/step Wall: 4501.73, 0.0031609/step, 3.1588 hours remaining, 232.402344 MB of memory in use. ENERGY: 1402400 3900.1664 20447.1010 14530.7058 258.4700 -203210.8934 2554.1373 0.0000 0.0000 52325.1827 -109195.1301 300.7135 -161520.3129 -108810.2549 300.1210 67.7282 92.7246 758810.4176 -2.0744 -2.1260 PRESSURE: 1402600 190.855 -124.673 -256.826 -124.673 -299.87 -50.0576 -256.826 -50.0578 200.544 GPRESSURE: 1402600 206.323 -22.4439 -303.332 -110.132 -205.843 -119.682 -55.1133 57.9635 177.102 PRESSAVG: 1402600 19.3624 -36.638 29.8395 -36.638 -25.404 38.3844 29.8395 38.3843 -14.6809 GPRESSAVG: 1402600 18.9975 -35.2392 29.243 -36.3301 -25.0513 39.0264 28.7524 38.0073 -15.0266 TIMING: 1402600 CPU: 4502.36, 0.00316625/step Wall: 4502.36, 0.00316625/step, 3.16396 hours remaining, 232.402344 MB of memory in use. ENERGY: 1402600 4094.1801 20336.6657 14526.0336 240.5617 -202853.3446 2302.2741 0.0000 0.0000 52159.7467 -109193.8827 299.7628 -161353.6294 -108835.6522 300.7098 30.5097 59.1939 759083.7681 -6.9075 -7.0268 PRESSURE: 1402800 211.82 -43.7375 37.2244 -43.7388 -126.052 118.25 37.2245 118.251 132.664 GPRESSURE: 1402800 252.517 -60.4025 -39.0611 -3.25359 -87.4498 105.472 35.7087 75.9998 139.363 PRESSAVG: 1402800 0.633181 -17.8746 3.23941 -17.8746 -21.1373 5.38489 3.23946 5.38485 -0.960798 GPRESSAVG: 1402800 0.932206 -16.1785 4.65051 -21.0715 -20.9997 5.62627 5.37799 5.06131 -1.019 TIMING: 1402800 CPU: 4503, 0.0032058/step Wall: 4503, 0.0032058/step, 3.20331 hours remaining, 232.402344 MB of memory in use. ENERGY: 1402800 4056.6570 20552.6874 14450.5808 220.6195 -203054.3542 2417.5643 0.0000 0.0000 52070.4605 -109285.7847 299.2497 -161356.2451 -108918.1564 300.0564 72.8105 101.4768 759937.8361 -7.1550 -7.0288 PRESSURE: 1403000 -490.109 195.658 -13.8569 195.659 -483.519 -122.05 -13.8577 -122.049 239.548 GPRESSURE: 1403000 -482.766 113.881 -17.4615 202.983 -302.47 -107.286 -87.2171 -21.7617 129.764 PRESSAVG: 1403000 -19.7471 -1.62702 -6.00586 -1.62703 -0.195718 7.12659 -6.00596 7.12669 6.50255 GPRESSAVG: 1403000 -19.561 -4.06151 -6.29728 0.0683282 0.423472 7.09518 -6.45151 7.40206 5.56787 TIMING: 1403000 CPU: 4503.64, 0.00319679/step Wall: 4503.64, 0.00319679/step, 3.19412 hours remaining, 232.402344 MB of memory in use. ENERGY: 1403000 4041.3689 20464.5849 14511.9206 240.5276 -202896.8221 2128.0846 0.0000 0.0000 52020.2206 -109490.1149 298.9609 -161510.3355 -109132.3795 299.4296 -244.6932 -218.4906 761464.2872 -4.4801 -4.5232 PRESSURE: 1403200 -29.1541 52.5966 -130.122 52.5956 213.636 121.322 -130.121 121.321 188.308 GPRESSURE: 1403200 30.8068 7.24747 -127.173 141.469 229.374 56.5133 -64.3281 151.209 199.684 PRESSAVG: 1403200 1.18732 -17.2624 -59.6484 -17.2624 13.3795 0.618998 -59.6485 0.618946 7.43457 GPRESSAVG: 1403200 1.55024 -17.1439 -60.0147 -15.8836 12.4068 0.657535 -58.5111 1.7614 7.87453 TIMING: 1403200 CPU: 4504.28, 0.0031895/step Wall: 4504.28, 0.0031895/step, 3.18667 hours remaining, 232.402344 MB of memory in use. ENERGY: 1403200 4044.7588 20553.4536 14481.5883 263.6123 -203343.3156 2655.8671 0.0000 0.0000 51845.9450 -109498.0906 297.9594 -161344.0355 -109145.3573 299.4528 124.2632 153.2886 759429.1089 7.3338 7.2772 PRESSURE: 1403400 39.8621 -41.067 60.8961 -41.0677 329.916 -16.8498 60.8953 -16.8485 220.424 GPRESSURE: 1403400 137.366 -119.431 47.0672 20.2804 325.117 21.0153 27.5443 -66.1539 205.686 PRESSAVG: 1403400 28.2058 -25.9995 -48.5063 -25.9995 -14.5512 -21.8445 -48.5063 -21.8446 0.862475 GPRESSAVG: 1403400 26.8622 -25.6918 -47.4604 -30.1025 -13.9225 -22.2302 -49.9379 -23.5621 2.08838 TIMING: 1403400 CPU: 4504.91, 0.00317126/step Wall: 4504.91, 0.00317126/step, 3.16827 hours remaining, 232.402344 MB of memory in use. ENERGY: 1403400 3884.9310 20561.6148 14477.3442 250.0961 -203202.2629 2335.4076 0.0000 0.0000 52165.5404 -109527.3287 299.7961 -161692.8691 -109165.3113 299.6558 196.7340 222.7231 758293.8520 4.8390 5.0094 PRESSURE: 1403600 -233.66 7.16773 -50.8648 7.16752 -472.075 235.619 -50.8649 235.618 -527.848 GPRESSURE: 1403600 -338.385 5.74683 -51.9623 -31.1402 -391.22 342.02 -71.4247 240.205 -443.394 PRESSAVG: 1403600 -11.793 -32.1712 -12.2383 -32.1712 -15.2503 -10.8426 -12.2383 -10.8427 17.493 GPRESSAVG: 1403600 -11.1505 -32.696 -12.4037 -28.238 -15.6762 -11.8005 -12.3782 -10.1117 17.4013 TIMING: 1403600 CPU: 4505.55, 0.00317953/step Wall: 4505.55, 0.00317953/step, 3.17635 hours remaining, 232.402344 MB of memory in use. ENERGY: 1403600 3963.6374 20448.5506 14464.7821 233.0241 -202980.1781 1987.3702 0.0000 0.0000 52262.2932 -109620.5204 300.3521 -161882.8137 -109251.8114 299.0878 -411.1942 -390.9996 759814.2536 -3.1834 -3.1418 PRESSURE: 1403800 -237.792 -271.914 112.004 -271.915 -431.8 33.306 112.006 33.3057 14.0952 GPRESSURE: 1403800 -222.745 -356.254 30.519 -354.321 -363.227 -66.7297 3.48416 60.9821 27.2213 PRESSAVG: 1403800 -12.6402 -103.228 -54.2956 -103.228 -9.60262 32.1241 -54.2956 32.124 7.35421 GPRESSAVG: 1403800 -13.697 -103.27 -55.6842 -105.09 -9.5218 32.4369 -52.7225 33.1576 7.97236 TIMING: 1403800 CPU: 4506.18, 0.00317/step Wall: 4506.18, 0.00317/step, 3.16666 hours remaining, 232.402344 MB of memory in use. ENERGY: 1403800 3912.8101 20503.4797 14464.6023 237.0019 -203537.2401 2454.8086 0.0000 0.0000 52156.5457 -109807.9917 299.7444 -161964.5375 -109432.3902 299.2134 -218.4991 -186.2503 760800.5922 -4.9629 -5.0821 PRESSURE: 1404000 225.856 332.263 -45.011 332.263 140.724 -182.063 -45.0107 -182.061 -56.51 GPRESSURE: 1404000 252.066 342.271 -88.6159 196.783 202.728 -113.856 15.4553 -351.651 -60.303 PRESSAVG: 1404000 20.4762 -33.3037 -38.9554 -33.3037 -33.9423 16.2905 -38.9555 16.2904 2.29106 GPRESSAVG: 1404000 21.8773 -34.0354 -38.0733 -32.2936 -33.6973 16.5597 -38.1605 14.1649 0.936097 TIMING: 1404000 CPU: 4506.81, 0.00315422/step Wall: 4506.81, 0.00315422/step, 3.15072 hours remaining, 232.402344 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: 1404000 4121.5865 20457.6537 14462.1328 231.8576 -203514.2820 2528.0066 0.0000 0.0000 51898.5330 -109814.5119 298.2616 -161713.0449 -109448.4975 298.6594 103.3565 131.4970 758468.1738 -3.7250 -3.6280 PRESSURE: 1404200 -130 7.58997 49.4161 7.58994 -292.355 -13.8446 49.4155 -13.8446 34.8511 GPRESSURE: 1404200 -122.193 -53.2081 50.1522 -55.3397 -190.371 -39.3202 -21.5916 12.433 22.1826 PRESSAVG: 1404200 -24.5953 -31.4299 -91.4295 -31.4299 -2.33303 8.77508 -91.4294 8.77497 -11.6703 GPRESSAVG: 1404200 -25.3024 -30.9916 -88.8946 -32.0761 -2.03332 8.22571 -94.9245 11.2954 -10.8519 TIMING: 1404200 CPU: 4507.45, 0.00317557/step Wall: 4507.45, 0.00317557/step, 3.17187 hours remaining, 232.402344 MB of memory in use. ENERGY: 1404200 4013.6551 20456.7425 14390.4671 260.6595 -203361.1336 2338.4136 0.0000 0.0000 52183.9253 -109717.2705 299.9017 -161901.1959 -109359.1094 299.2953 -129.1679 -96.7939 758816.0499 -12.8662 -12.7292 LDB: ============= START OF LOAD BALANCING ============== 4519.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4519.87 LDB: =============== DONE WITH MIGRATION ================ 4519.88 LDB: ============= START OF LOAD BALANCING ============== 4520.2 LDB: Largest compute 7047 load 0.033798 is 17.3% of average load 0.195366 LDB: Average compute 0.004395 is 2.2% of average load 0.195366 LDB: TIME 4520.2 LOAD: AVG 0.195366 MAX 0.2117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.129 MB LDB: TIME 4520.2 LOAD: AVG 0.195366 MAX 0.2117 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.129 MB LDB: TIME 4520.2 LOAD: AVG 0.195366 MAX 0.2117 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.129 MB LDB: ============== END OF LOAD BALANCING =============== 4520.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4520.21 PRESSURE: 1404400 -154.204 -54.8937 19.0129 -54.8933 -385.599 34.2281 19.0131 34.2284 -295.085 GPRESSURE: 1404400 -163.291 -115.122 52.4995 -106.082 -306.718 11.9838 13.0242 -90.6941 -268.424 PRESSAVG: 1404400 -1.0743 -59.9113 1.81347 -59.9113 -10.739 9.40481 1.81349 9.40476 5.17827 GPRESSAVG: 1404400 -0.616599 -60.0656 0.738078 -58.7679 -11.0701 9.08751 3.15932 9.13104 4.86635 TIMING: 1404400 CPU: 4508.1, 0.00327133/step Wall: 4508.1, 0.00327133/step, 3.26733 hours remaining, 232.207031 MB of memory in use. ENERGY: 1404400 4043.7891 20203.1869 14462.9218 228.6946 -203375.2430 2352.5877 0.0000 0.0000 52292.0096 -109792.0533 300.5229 -162084.0629 -109432.4799 299.5335 -278.2960 -246.1447 759898.2097 -2.2117 -2.2734 PRESSURE: 1404600 -233.121 -165.819 102.604 -165.818 263.795 180.237 102.605 180.237 -210.32 GPRESSURE: 1404600 -152.983 -178.021 113.862 -70.7581 202.303 221.887 127.538 134.346 -135.163 PRESSAVG: 1404600 -27.0193 8.03395 -31.3727 8.03391 32.3579 -36.857 -31.3727 -36.8571 20.5358 GPRESSAVG: 1404600 -27.1496 7.85834 -33.379 6.58343 31.7374 -34.5397 -29.0734 -35.6416 21.3482 TIMING: 1404600 CPU: 4508.74, 0.00319064/step Wall: 4508.74, 0.00319064/step, 3.18657 hours remaining, 232.406250 MB of memory in use. ENERGY: 1404600 4022.8633 20421.4081 14454.2854 235.0841 -203249.4757 2154.0900 0.0000 0.0000 52139.6648 -109822.0801 299.6474 -161961.7449 -109453.1556 299.2267 -59.8817 -28.6148 760903.8873 8.6248 8.6453 PRESSURE: 1404800 12.3134 -73.8821 183.1 -73.882 252.868 31.3238 183.1 31.3228 -11.5933 GPRESSURE: 1404800 38.6116 -32.8649 158.963 70.552 187.925 63.8186 215.477 155.795 96.0103 PRESSAVG: 1404800 -56.2891 21.172 59.8007 21.172 55.7022 10.5644 59.8007 10.5645 26.8602 GPRESSAVG: 1404800 -55.6808 21.3802 60.5882 22.5028 55.6497 9.41543 58.1761 7.56551 25.9881 TIMING: 1404800 CPU: 4509.38, 0.00319952/step Wall: 4509.38, 0.00319952/step, 3.19526 hours remaining, 232.406250 MB of memory in use. ENERGY: 1404800 3970.6449 20504.8218 14537.5170 252.6486 -203524.8000 2340.6987 0.0000 0.0000 51857.3793 -110061.0897 298.0251 -161918.4690 -109694.3164 298.9040 84.5294 107.5157 759685.4746 8.7578 8.6523 PRESSURE: 1405000 -35.3309 -12.22 -142.299 -12.2193 125.403 -54.6987 -142.3 -54.6982 -341.277 GPRESSURE: 1405000 34.9462 -2.98601 -69.5431 -100.044 126.977 -44.7733 -137.382 -48.8399 -307.831 PRESSAVG: 1405000 -29.3401 -4.63279 -10.1288 -4.63279 39.367 -21.4459 -10.1289 -21.446 25.6782 GPRESSAVG: 1405000 -29.9002 -3.05298 -10.0747 -7.06692 39.9956 -22.6804 -10.6685 -17.9526 25.8209 TIMING: 1405000 CPU: 4510.02, 0.0031977/step Wall: 4510.02, 0.0031977/step, 3.19325 hours remaining, 232.406250 MB of memory in use. ENERGY: 1405000 3970.6461 20332.0649 14524.5778 253.5005 -203214.0544 2393.0304 0.0000 0.0000 51771.9488 -109968.2858 297.5341 -161740.2347 -109616.4308 298.6464 -83.7351 -48.6360 758101.7716 11.9017 11.9721 PRESSURE: 1405200 -170.515 8.88746 -125.536 8.88828 -246.721 -154.238 -125.536 -154.238 -113.71 GPRESSURE: 1405200 -227.322 24.4169 -47.4164 -99.52 -198.692 -126.033 -48.457 -133.555 -19.6269 PRESSAVG: 1405200 43.6746 9.92704 -38.9631 9.92702 -18.3591 -30.0586 -38.9632 -30.0586 6.0502 GPRESSAVG: 1405200 43.9024 7.72814 -38.8133 12.3734 -19.0149 -30.312 -37.995 -34.377 6.4715 TIMING: 1405200 CPU: 4510.66, 0.00321568/step Wall: 4510.66, 0.00321568/step, 3.21104 hours remaining, 232.406250 MB of memory in use. ENERGY: 1405200 3989.4440 20434.7719 14441.1544 234.5455 -203367.2030 2291.4102 0.0000 0.0000 51992.0509 -109983.8260 298.7990 -161975.8769 -109611.4597 298.5047 -176.9819 -148.5470 760545.8074 10.4552 10.4530 PRESSURE: 1405400 -224.972 109.064 151.395 109.063 -372.443 -142.811 151.395 -142.81 131.094 GPRESSURE: 1405400 -168.93 85.2437 155.612 161.607 -322.646 -196.524 253.885 -176.418 113.812 PRESSAVG: 1405400 19.6537 28.8593 -39.0314 28.8593 -7.60776 -11.5157 -39.0315 -11.5158 -0.726191 GPRESSAVG: 1405400 20.4891 31.0164 -39.4404 26.1849 -6.70815 -9.53374 -36.6603 -10.0247 -2.47912 TIMING: 1405400 CPU: 4511.3, 0.00318489/step Wall: 4511.3, 0.00318489/step, 3.18012 hours remaining, 232.406250 MB of memory in use. ENERGY: 1405400 3954.7915 20490.3746 14467.6895 266.9914 -203246.8462 2208.7960 0.0000 0.0000 52033.1685 -109825.0347 299.0353 -161858.2031 -109468.9279 298.8924 -155.4405 -125.9211 760995.9742 3.7733 3.7673 PRESSURE: 1405600 231.5 178.353 9.21542 178.353 -163.006 281.984 9.21538 281.984 221.655 GPRESSURE: 1405600 170.272 55.3219 91.8009 179.106 -71.3087 315.451 30.4399 204.977 261.885 PRESSAVG: 1405600 9.93537 -22.9153 37.9585 -22.9152 10.118 -6.99269 37.9584 -6.99269 1.73204 GPRESSAVG: 1405600 8.75872 -24.6114 38.4391 -22.0244 9.41662 -8.05871 35.26 -6.94679 3.3444 TIMING: 1405600 CPU: 4511.94, 0.00321117/step Wall: 4511.94, 0.00321117/step, 3.20618 hours remaining, 232.406250 MB of memory in use. ENERGY: 1405600 3943.2873 20339.1860 14514.1297 253.7853 -203359.3594 2244.5499 0.0000 0.0000 52073.5907 -109990.8305 299.2676 -162064.4212 -109626.9436 299.1415 96.7163 120.2826 759230.4138 7.2618 7.1732 PRESSURE: 1405800 -224.885 50.5743 -52.6692 50.5743 -214.096 32.1664 -52.6698 32.1662 -334.041 GPRESSURE: 1405800 -240.931 68.6074 -16.2981 -0.156835 -115.555 32.8781 -200.477 42.8066 -335.385 PRESSAVG: 1405800 2.35602 -32.9724 -38.0797 -32.9724 6.35718 40.3046 -38.0797 40.3046 25.1204 GPRESSAVG: 1405800 3.20609 -33.742 -38.1859 -30.8368 6.21964 40.3014 -36.8307 39.8738 24.7152 TIMING: 1405800 CPU: 4512.58, 0.00319568/step Wall: 4512.58, 0.00319568/step, 3.19053 hours remaining, 232.406250 MB of memory in use. ENERGY: 1405800 3949.9425 20516.0690 14443.7307 233.5930 -203089.7176 2137.7096 0.0000 0.0000 51679.2658 -110129.4070 297.0015 -161808.6728 -109769.9327 298.0809 -257.6740 -230.6236 758619.1695 11.2779 11.3803 PRESSURE: 1406000 -71.5377 22.0165 33.0175 22.0163 -17.124 -86.4572 33.0171 -86.4578 241.427 GPRESSURE: 1406000 -6.9538 22.4982 -63.6251 45.8262 -9.41887 -5.76102 47.9687 -65.6624 242.725 PRESSAVG: 1406000 13.3953 57.4203 2.7084 57.4204 21.2207 -68.6855 2.7084 -68.6855 29.9377 GPRESSAVG: 1406000 14.0032 57.6179 4.07088 57.1803 20.8637 -67.6262 0.123222 -68.0041 30.2119 TIMING: 1406000 CPU: 4513.21, 0.00315316/step Wall: 4513.21, 0.00315316/step, 3.1479 hours remaining, 232.406250 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: 1406000 3959.0321 20554.6418 14486.4459 251.2178 -203244.6855 2412.1482 0.0000 0.0000 51745.1176 -109836.0820 297.3799 -161581.1996 -109487.0527 298.3163 50.9218 75.4508 757733.3666 21.5179 21.6929 PRESSURE: 1406200 -324.844 36.3223 -3.52874 36.3223 -186.234 -12.2773 -3.52914 -12.2766 -68.4592 GPRESSURE: 1406200 -317.924 -33.5976 38.7914 6.29476 -130.701 -83.4855 -43.9905 53.0218 -62.1566 PRESSAVG: 1406200 -11.4902 -54.4311 15.0876 -54.4311 -10.6373 -29.9801 15.0876 -29.9802 1.54492 GPRESSAVG: 1406200 -11.3331 -55.1598 15.0554 -54.511 -10.7958 -30.4879 15.3876 -29.4355 1.05574 TIMING: 1406200 CPU: 4513.86, 0.00320723/step Wall: 4513.86, 0.00320723/step, 3.20171 hours remaining, 232.406250 MB of memory in use. ENERGY: 1406200 4015.6101 20420.5287 14546.1077 226.1051 -203215.9461 2208.3030 0.0000 0.0000 51770.8156 -110028.4760 297.5276 -161799.2916 -109666.8310 298.3328 -193.1790 -170.2606 758396.0464 -6.8608 -7.0244 PRESSURE: 1406400 -188.889 -96.0144 46.0594 -96.0153 69.5679 -260.439 46.0599 -260.439 -170.002 GPRESSURE: 1406400 -147.014 -144.38 19.4294 -16.9805 119.044 -257.639 172.686 -198.845 -166.553 PRESSAVG: 1406400 1.20642 -61.7349 19.6644 -61.7349 23.599 -2.14062 19.6644 -2.14071 9.05798 GPRESSAVG: 1406400 0.478522 -60.2872 19.0376 -62.6597 23.1364 -2.92701 20.6913 -1.5173 10.4014 TIMING: 1406400 CPU: 4514.49, 0.00315374/step Wall: 4514.49, 0.00315374/step, 3.14813 hours remaining, 232.406250 MB of memory in use. ENERGY: 1406400 3945.0490 20300.5967 14465.8692 236.3246 -203239.9558 2533.2174 0.0000 0.0000 51866.3493 -109892.5496 298.0766 -161758.8989 -109532.0628 298.2979 -96.4411 -64.8410 759169.1662 11.2878 11.3388 PRESSURE: 1406600 265.522 23.458 136.792 23.4582 360.109 -73.6303 136.792 -73.6299 362.944 GPRESSURE: 1406600 347.557 -18.2421 170.178 45.6889 354.16 -46.2113 3.99501 -124.741 372.713 PRESSAVG: 1406600 28.4149 4.10678 64.9833 4.1068 -6.92583 -6.00056 64.9833 -6.00057 -30.4843 GPRESSAVG: 1406600 29.3789 1.98882 64.2848 3.03892 -7.33223 -5.42094 65.436 -5.72506 -31.0285 TIMING: 1406600 CPU: 4515.12, 0.00316929/step Wall: 4515.12, 0.00316929/step, 3.16348 hours remaining, 232.406250 MB of memory in use. ENERGY: 1406600 3923.4138 20326.5098 14504.9044 235.0781 -203513.0674 2625.7748 0.0000 0.0000 51778.1006 -110119.2859 297.5695 -161897.3865 -109766.5899 298.0814 329.5252 358.1432 759124.1470 -2.9984 -2.9940 PRESSURE: 1406800 261.874 -16.1336 71.3942 -16.1339 -191.419 111.224 71.3941 111.223 -201.307 GPRESSURE: 1406800 181.309 32.7626 35.3144 50.6248 -49.582 44.4432 74.5168 95.5552 -168.14 PRESSAVG: 1406800 71.167 -70.144 -4.36901 -70.144 -23.2033 -8.98864 -4.36901 -8.98869 20.6071 GPRESSAVG: 1406800 69.5811 -68.9262 -4.66479 -68.7221 -22.6974 -8.81669 -5.24344 -9.5889 21.496 TIMING: 1406800 CPU: 4515.75, 0.00316483/step Wall: 4515.75, 0.00316483/step, 3.15886 hours remaining, 232.406250 MB of memory in use. ENERGY: 1406800 3978.2616 20398.0742 14459.0820 236.9637 -202771.4905 2156.4370 0.0000 0.0000 51573.1930 -109969.4790 296.3918 -161542.6720 -109612.9069 297.5879 -43.6177 -12.1377 759170.8773 22.8570 22.7932 PRESSURE: 1407000 173.841 -175.138 -223.423 -175.139 163.29 -14.8328 -223.423 -14.8325 13.001 GPRESSURE: 1407000 260.624 -147.141 -163.245 -72.4891 130.722 43.2383 -204.074 45.1132 48.5451 PRESSAVG: 1407000 61.8622 -20.0581 -27.1264 -20.0581 -23.9726 7.0253 -27.1264 7.02528 15.1991 GPRESSAVG: 1407000 62.9818 -17.4771 -26.928 -21.3271 -23.6332 8.51134 -26.7867 5.2414 14.0916 TIMING: 1407000 CPU: 4516.38, 0.00315832/step Wall: 4516.38, 0.00315832/step, 3.15218 hours remaining, 232.406250 MB of memory in use. ENERGY: 1407000 3981.1572 20388.5980 14414.9753 246.9192 -203269.3889 2384.2708 0.0000 0.0000 51885.6552 -109967.8133 298.1876 -161853.4685 -109603.9192 298.3088 116.7105 146.6304 759127.0580 17.6962 17.8134 PRESSURE: 1407200 -92.4279 -142.501 -188.546 -142.501 122.281 133.9 -188.547 133.9 -337.763 GPRESSURE: 1407200 4.09194 -32.2596 -197.025 -197.661 91.9323 60.8586 -191.356 70.6945 -320.057 PRESSAVG: 1407200 -24.4167 -53.9432 -22.374 -53.9432 19.1434 -27.9785 -22.374 -27.9786 -31.4976 GPRESSAVG: 1407200 -24.0433 -55.3637 -22.7995 -52.8609 18.5111 -30.3144 -22.897 -26.6924 -30.905 TIMING: 1407200 CPU: 4517.01, 0.00315106/step Wall: 4517.01, 0.00315106/step, 3.14476 hours remaining, 232.406250 MB of memory in use. ENERGY: 1407200 3994.5069 20293.6520 14433.9649 253.9390 -203690.9624 2518.7651 0.0000 0.0000 52123.6458 -110072.4887 299.5553 -162196.1345 -109713.3802 298.4811 -102.6367 -74.6775 758939.6909 -12.2570 -12.1458 PRESSURE: 1407400 469.522 -14.0129 -39.9714 -14.0132 102.719 104.405 -39.9712 104.404 341.823 GPRESSURE: 1407400 499.932 -67.0748 -23.9405 -34.5747 237.961 50.7409 -103.46 61.0937 258.913 PRESSAVG: 1407400 -16.1249 -14.2774 -53.7093 -14.2775 0.0230993 -1.62159 -53.7093 -1.62158 22.1094 GPRESSAVG: 1407400 -17.0041 -15.7946 -52.8559 -14.7556 0.856559 1.7296 -54.5077 -2.14133 21.7154 TIMING: 1407400 CPU: 4517.64, 0.00314094/step Wall: 4517.64, 0.00314094/step, 3.13448 hours remaining, 232.406250 MB of memory in use. ENERGY: 1407400 3878.4195 20416.3293 14361.9078 249.8572 -203170.6297 2319.6898 0.0000 0.0000 51968.9341 -109975.4921 298.6662 -161944.4261 -109607.9029 298.9211 304.6880 332.2687 759201.2727 2.0026 1.8560 PRESSURE: 1407600 -137.948 -99.0496 98.3626 -99.0498 -127.551 -201.939 98.3628 -201.939 -152.296 GPRESSURE: 1407600 -141.964 -98.7911 77.1331 13.3601 -82.6532 -276.512 160.401 -88.1566 -114.06 PRESSAVG: 1407600 52.7983 -20.123 -3.22263 -20.1231 5.71496 -37.3593 -3.2226 -37.3594 7.52191 GPRESSAVG: 1407600 53.1003 -19.2846 -3.09406 -17.7277 5.63741 -40.8786 -2.83882 -37.5741 7.98877 TIMING: 1407600 CPU: 4518.27, 0.00314161/step Wall: 4518.27, 0.00314161/step, 3.13498 hours remaining, 232.406250 MB of memory in use. ENERGY: 1407600 3974.6709 20332.0370 14450.4684 242.4083 -203354.5935 2229.1909 0.0000 0.0000 52163.1081 -109962.7099 299.7821 -162125.8181 -109603.8711 298.6977 -139.2651 -112.8921 758667.7101 22.0117 22.2422 PRESSURE: 1407800 -142.018 210.591 -108.997 210.59 281.09 -118.255 -108.997 -118.255 -288.737 GPRESSURE: 1407800 -96.6875 60.8269 -156.839 203.274 219.29 -78.8449 -100.61 -116.176 -191.986 PRESSAVG: 1407800 -6.91533 -45.026 48.5792 -45.026 3.25367 -47.5857 48.5792 -47.5857 -0.614975 GPRESSAVG: 1407800 -7.50694 -45.6255 47.2559 -46.8229 3.39012 -46.5419 49.0153 -46.8866 -0.0937025 TIMING: 1407800 CPU: 4518.9, 0.00315088/step Wall: 4518.9, 0.00315088/step, 3.14405 hours remaining, 232.406250 MB of memory in use. ENERGY: 1407800 3905.8865 20438.7117 14468.8639 252.0379 -203164.7136 2339.2266 0.0000 0.0000 52168.4641 -109591.5227 299.8129 -161759.9869 -109232.5353 299.0232 -49.8882 -23.1277 759987.5945 -1.4255 -1.4035 PRESSURE: 1408000 -334.942 55.7545 -134.686 55.7543 -310.41 -118.115 -134.687 -118.115 50.5952 GPRESSURE: 1408000 -307.012 84.782 -62.7337 23.4744 -225.931 -174.349 -209.604 -46.8286 10.5357 PRESSAVG: 1408000 66.8726 -59.6463 -5.71912 -59.6463 -47.4748 -5.80499 -5.71913 -5.80491 -0.256741 GPRESSAVG: 1408000 67.505 -58.4486 -4.12784 -59.0932 -47.6176 -5.90893 -5.13165 -7.65893 -0.7955 TIMING: 1408000 CPU: 4519.53, 0.00315957/step Wall: 4519.53, 0.00315957/step, 3.15255 hours remaining, 232.406250 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: 1408000 4021.4320 20493.5880 14445.4294 252.1296 -203096.6161 2292.7324 0.0000 0.0000 52256.1922 -109335.1125 300.3171 -161591.3047 -108983.7156 299.6511 -198.2525 -174.1359 761118.6045 6.3803 6.3640 PRESSURE: 1408200 -351.222 60.6654 17.7873 60.6656 244.739 165.693 17.7874 165.693 106.091 GPRESSURE: 1408200 -274.937 41.0462 51.5078 18.9667 272.309 225.515 63.8432 145.902 91.9034 PRESSAVG: 1408200 -34.9814 -18.4509 -16.3395 -18.4509 26.7348 -2.1187 -16.3396 -2.11867 -20.3525 GPRESSAVG: 1408200 -35.5493 -19.8052 -16.1679 -17.3953 26.6804 -2.75471 -16.4394 -1.44822 -20.2498 TIMING: 1408200 CPU: 4520.16, 0.00314494/step Wall: 4520.16, 0.00314494/step, 3.13778 hours remaining, 232.406250 MB of memory in use. ENERGY: 1408200 4036.8674 20462.7067 14377.9996 250.1772 -203367.3633 2703.9221 0.0000 0.0000 52537.6074 -108998.0828 301.9344 -161535.6902 -108623.7863 300.4472 -0.1308 29.7585 760195.7925 -9.5331 -9.7063 LDB: ============= START OF LOAD BALANCING ============== 4532.58 LDB: ============== END OF LOAD BALANCING =============== 4532.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4532.59 LDB: ============= START OF LOAD BALANCING ============== 4532.9 LDB: Largest compute 7074 load 0.034633 is 17.7% of average load 0.195381 LDB: Average compute 0.004381 is 2.2% of average load 0.195381 LDB: TIME 4532.91 LOAD: AVG 0.195381 MAX 0.212317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.762 MB LDB: TIME 4532.91 LOAD: AVG 0.195381 MAX 0.212317 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.762 MB LDB: TIME 4532.91 LOAD: AVG 0.195381 MAX 0.212317 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.762 MB LDB: ============== END OF LOAD BALANCING =============== 4532.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4532.91 PRESSURE: 1408400 88.3312 -314.716 57.7741 -314.715 104.963 158.196 57.7739 158.195 -105.461 GPRESSURE: 1408400 163.225 -226.258 -24.8722 -294.716 61.866 191.307 32.0747 212.053 -36.9084 PRESSAVG: 1408400 -28.6619 -18.0285 -16.8066 -18.0285 13.059 -22.8387 -16.8066 -22.8387 11.621 GPRESSAVG: 1408400 -28.4786 -16.4686 -17.3388 -21.3379 12.5288 -20.6806 -18.7158 -24.547 12.3409 TIMING: 1408400 CPU: 4520.81, 0.00323036/step Wall: 4520.81, 0.00323036/step, 3.22282 hours remaining, 232.082031 MB of memory in use. ENERGY: 1408400 4019.1555 20536.7978 14446.2961 265.2837 -203115.3617 2493.4015 0.0000 0.0000 52507.8713 -108846.5557 301.7635 -161354.4270 -108477.8578 300.8373 29.2780 62.7274 759491.8817 -1.3273 -1.2030 PRESSURE: 1408600 -333.742 -198.938 -44.2577 -198.938 -212.604 46.8706 -44.2581 46.8707 -4.01526 GPRESSURE: 1408600 -270.719 -237.767 19.2009 -143.88 -261.457 38.5719 -75.8561 127.605 56.9931 PRESSAVG: 1408600 45.9865 -40.7282 7.99608 -40.7283 -48.9027 -42.1313 7.99606 -42.1313 -14.6814 GPRESSAVG: 1408600 46.9326 -42.507 6.80151 -39.0164 -48.2985 -44.594 9.84663 -39.8774 -15.6997 TIMING: 1408600 CPU: 4521.44, 0.00316524/step Wall: 4521.44, 0.00316524/step, 3.15767 hours remaining, 232.542969 MB of memory in use. ENERGY: 1408600 4005.9488 20657.8788 14434.9449 245.4681 -202645.7184 2260.9874 0.0000 0.0000 52183.0515 -108857.4390 299.8967 -161040.4905 -108491.2797 300.7679 -183.4540 -158.3943 761458.9848 -5.8659 -5.6885 PRESSURE: 1408800 71.9147 -98.2064 -27.6437 -98.207 -73.2287 -67.0143 -27.6431 -67.0141 427.021 GPRESSURE: 1408800 74.2154 -53.3939 34.8796 -102.984 16.5057 -101.275 -69.2202 -23.3199 447.859 PRESSAVG: 1408800 11.3773 -29.4258 -8.326 -29.4258 -17.8687 -36.1665 -8.32596 -36.1665 25.013 GPRESSAVG: 1408800 11.1742 -28.6637 -6.55728 -29.6497 -17.5432 -34.6474 -6.19323 -36.3564 25.1462 TIMING: 1408800 CPU: 4522.08, 0.00318692/step Wall: 4522.08, 0.00318692/step, 3.17913 hours remaining, 232.542969 MB of memory in use. ENERGY: 1408800 3989.5966 20509.2688 14469.8125 240.7197 -202596.8433 2422.6426 0.0000 0.0000 52382.8162 -108581.9869 301.0448 -160964.8031 -108209.9618 300.9973 141.9024 179.5268 761324.8223 6.1739 6.2591 PRESSURE: 1409000 -15.2088 10.6174 57.4663 10.6166 25.8089 -83.4647 57.4672 -83.4654 404.562 GPRESSURE: 1409000 106.317 -13.5839 -23.8859 94.2042 -13.4622 -131.452 35.5519 -145.833 401.154 PRESSAVG: 1409000 37.2162 -33.5555 -9.60214 -33.5555 -21.5499 1.54234 -9.60209 1.54242 -0.280357 GPRESSAVG: 1409000 36.3357 -33.6826 -10.5979 -33.6757 -21.95 1.46365 -11.317 0.378336 0.767931 TIMING: 1409000 CPU: 4522.71, 0.00317114/step Wall: 4522.71, 0.00317114/step, 3.16321 hours remaining, 232.542969 MB of memory in use. ENERGY: 1409000 4054.5856 20530.7076 14400.4766 250.6497 -203145.7280 2639.5138 0.0000 0.0000 52793.3080 -108476.4866 303.4039 -161269.7946 -108103.9489 301.2772 138.3872 164.6694 761139.0925 5.1286 5.0512 PRESSURE: 1409200 -122.085 -43.8009 58.7939 -43.8012 -77.7431 -305.72 58.795 -305.72 -402.987 GPRESSURE: 1409200 -170.55 -21.9442 -18.657 -127.709 -37.8233 -270.719 31.4152 -236.779 -308.546 PRESSAVG: 1409200 55.7349 -43.575 28.0955 -43.5749 -58.5467 -6.92734 28.0955 -6.92742 -7.00556 GPRESSAVG: 1409200 56.1972 -43.467 26.4903 -45.4849 -59.9825 -8.16878 28.7891 -7.05056 -6.31606 TIMING: 1409200 CPU: 4523.34, 0.00315484/step Wall: 4523.34, 0.00315484/step, 3.14678 hours remaining, 232.542969 MB of memory in use. ENERGY: 1409200 4069.4665 20636.8068 14535.1138 239.0692 -202676.7270 2281.8845 0.0000 0.0000 52114.1732 -108800.2131 299.5009 -160914.3862 -108440.3339 301.2364 -200.9382 -172.3067 760483.5043 -3.2725 -3.3671 PRESSURE: 1409400 -13.1999 64.0205 83.7973 64.0215 -197.54 -37.1171 83.7961 -37.1171 -517.856 GPRESSURE: 1409400 33.5289 103.727 82.1472 201.186 -165.237 -54.7303 -8.54203 66.024 -507.684 PRESSAVG: 1409400 -17.5446 -53.6243 -11.4071 -53.6244 -4.95939 4.77806 -11.407 4.77802 1.89164 GPRESSAVG: 1409400 -16.7239 -53.9107 -8.13048 -49.6352 -4.54161 5.06495 -14.2143 7.19312 0.752977 TIMING: 1409400 CPU: 4523.98, 0.00315572/step Wall: 4523.98, 0.00315572/step, 3.14748 hours remaining, 232.542969 MB of memory in use. ENERGY: 1409400 4041.9312 20467.4285 14461.6101 239.2202 -202780.4348 2309.9032 0.0000 0.0000 52233.6651 -109026.6765 300.1876 -161260.3416 -108656.3749 300.7765 -242.8654 -213.1308 761807.1485 -6.8708 -6.8375 PRESSURE: 1409600 -131.238 159.101 -171.421 159.1 110.973 -129.411 -171.421 -129.411 -63.1139 GPRESSURE: 1409600 -70.3644 181.202 -120.777 65.9464 109.223 -117.875 -104.804 -44.8612 -51.2101 PRESSAVG: 1409600 3.16827 -90.9567 -47.5789 -90.9566 -6.18983 -14.654 -47.5788 -14.654 -17.4238 GPRESSAVG: 1409600 3.1897 -89.0771 -49.7134 -94.6001 -5.55241 -13.7507 -45.5159 -16.2721 -18.4541 TIMING: 1409600 CPU: 4524.6, 0.00313219/step Wall: 4524.6, 0.00313219/step, 3.12384 hours remaining, 232.648438 MB of memory in use. ENERGY: 1409600 4006.5148 20468.3568 14449.1430 253.1568 -202980.9440 2457.7052 0.0000 0.0000 52213.1307 -109132.9367 300.0696 -161346.0674 -108767.0376 299.6467 -27.7930 -4.1171 760873.1626 -6.8151 -6.9390 PRESSURE: 1409800 113.116 68.1481 215.734 68.1477 130.136 129.153 215.733 129.152 -228.059 GPRESSURE: 1409800 135.402 22.9666 192.611 20.6583 181.029 182.902 310.138 117.979 -197.416 PRESSAVG: 1409800 1.6353 7.94842 24.7864 7.94841 10.6178 9.72547 24.7865 9.7254 3.30625 GPRESSAVG: 1409800 -0.28877 5.90268 25.8821 10.3734 10.9903 8.99945 24.9612 10.0968 4.78824 TIMING: 1409800 CPU: 4525.23, 0.00315426/step Wall: 4525.23, 0.00315426/step, 3.14567 hours remaining, 232.648438 MB of memory in use. ENERGY: 1409800 3971.7712 20566.5412 14418.3539 244.1267 -203028.8583 2335.4923 0.0000 0.0000 52339.8170 -109152.7560 300.7976 -161492.5730 -108788.5078 300.2882 5.0643 39.6717 762105.3854 5.1865 5.1633 PRESSURE: 1410000 76.4296 -79.9688 251.268 -79.9687 92.5243 -82.9658 251.267 -82.9658 -107.905 GPRESSURE: 1410000 -10.26 -7.24099 195.978 -64.3167 227.032 -82.2259 304.654 -251.864 -45.2338 PRESSAVG: 1410000 -28.3858 -32.3851 20.1474 -32.3851 64.76 12.5083 20.1475 12.5082 12.7333 GPRESSAVG: 1410000 -25.9658 -30.9429 19.2181 -33.128 64.7386 11.5251 20.7671 11.1389 10.9283 TIMING: 1410000 CPU: 4525.86, 0.00316137/step Wall: 4525.86, 0.00316137/step, 3.15259 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1410000 4017.2741 20492.5394 14493.9241 237.5524 -202944.3049 2658.0463 0.0000 0.0000 52192.4460 -108852.5225 299.9507 -161044.9685 -108486.7357 300.5099 20.3497 57.1795 760735.5099 16.3692 16.5670 PRESSURE: 1410200 396.327 20.3559 281.949 20.3548 -71.186 101.308 281.949 101.309 -236.72 GPRESSURE: 1410200 444.375 67.5068 307.782 40.6725 -43.2919 96.7644 215.753 173.793 -217.459 PRESSAVG: 1410200 -16.3551 -4.64087 19.9615 -4.64084 72.0039 -2.86542 19.9615 -2.86537 1.39285 GPRESSAVG: 1410200 -17.622 -6.84305 20.9803 -2.52183 73.169 -1.68388 17.6205 -2.14174 2.01802 TIMING: 1410200 CPU: 4526.49, 0.00312013/step Wall: 4526.49, 0.00312013/step, 3.11129 hours remaining, 232.648438 MB of memory in use. ENERGY: 1410200 4006.6619 20390.4853 14546.5426 244.3602 -202781.4322 2295.7290 0.0000 0.0000 52113.6873 -109183.9659 299.4981 -161297.6532 -108820.7426 300.7197 29.4735 61.2080 761428.4202 19.0139 19.1883 PRESSURE: 1410400 209.735 22.9949 -186.717 22.9952 -280.55 103.973 -186.718 103.973 261.064 GPRESSURE: 1410400 212.816 -64.5236 -130.242 -115.068 -209.677 211.317 -167.346 18.2688 272.893 PRESSAVG: 1410400 38.6007 7.19152 2.15058 7.19161 -32.0065 2.67014 2.15055 2.6702 -4.59323 GPRESSAVG: 1410400 38.9263 6.75551 1.84079 6.15298 -32.59 4.08894 2.4519 2.89611 -3.96108 TIMING: 1410400 CPU: 4527.11, 0.00311988/step Wall: 4527.11, 0.00311988/step, 3.11086 hours remaining, 232.648438 MB of memory in use. ENERGY: 1410400 3978.8132 20564.2418 14461.6185 229.4513 -203335.4039 2441.4977 0.0000 0.0000 52274.4469 -109385.3346 300.4220 -161659.7814 -109023.9097 299.4726 63.4161 92.0106 760357.2869 0.6670 0.7917 PRESSURE: 1410600 -304.088 -60.2129 -9.74584 -60.2127 -49.395 111.098 -9.74556 111.097 -246.38 GPRESSURE: 1410600 -348.684 -8.8086 -35.1163 14.199 -40.637 48.7846 -8.68889 125.578 -123.021 PRESSAVG: 1410600 25.7204 -25.4382 14.9926 -25.4382 -42.535 6.47835 14.9926 6.47832 1.99795 GPRESSAVG: 1410600 26.0757 -23.8831 14.9229 -25.7414 -44.051 3.63581 14.9552 8.50531 2.5477 TIMING: 1410600 CPU: 4527.74, 0.00315313/step Wall: 4527.74, 0.00315313/step, 3.14384 hours remaining, 232.648438 MB of memory in use. ENERGY: 1410600 4031.5746 20724.5059 14477.5485 238.1214 -203303.7228 2413.5373 0.0000 0.0000 52123.4098 -109295.0253 299.5540 -161418.4351 -108931.5944 300.1600 -199.9542 -170.7809 761413.1866 -4.9389 -5.1425 PRESSURE: 1410800 -43.0578 -168.388 73.5057 -168.389 -283.142 165.4 73.5063 165.399 94.1408 GPRESSURE: 1410800 32.392 -71.6171 82.8977 -90.7339 -197.524 249.022 18.5571 152.614 -9.40681 PRESSAVG: 1410800 17.0996 -40.3543 -19.597 -40.3543 -26.1546 1.47899 -19.5971 1.47897 -15.5269 GPRESSAVG: 1410800 17.669 -41.0469 -19.829 -39.1266 -25.1573 3.45604 -19.5982 -1.7068 -17.266 TIMING: 1410800 CPU: 4528.37, 0.00315778/step Wall: 4528.37, 0.00315778/step, 3.14831 hours remaining, 232.648438 MB of memory in use. ENERGY: 1410800 3906.7254 20664.6125 14525.7956 234.2267 -203306.8494 2489.8925 0.0000 0.0000 52211.8753 -109273.7215 300.0624 -161485.5968 -108907.1875 299.6180 -77.3531 -58.1797 761729.3431 -8.1940 -8.2514 PRESSURE: 1411000 264.388 76.9165 90.3857 76.9162 -32.9963 13.8402 90.3856 13.8404 58.5342 GPRESSURE: 1411000 159.501 112.904 150.733 -121.195 59.3299 92.8312 -29.3779 21.7125 162.482 PRESSAVG: 1411000 -0.773062 -22.5881 -23.595 -22.588 -15.2381 48.6624 -23.595 48.6624 -11.051 GPRESSAVG: 1411000 -1.65601 -21.1876 -24.6745 -23.9872 -15.894 48.0323 -24.6026 51.002 -9.30145 TIMING: 1411000 CPU: 4529, 0.00314938/step Wall: 4529, 0.00314938/step, 3.13975 hours remaining, 232.648438 MB of memory in use. ENERGY: 1411000 4007.8965 20518.4794 14451.8168 253.9646 -203534.8862 2696.0542 0.0000 0.0000 52474.2444 -109132.4303 301.5702 -161606.6747 -108761.3663 300.0472 96.6421 127.1044 761083.0248 -9.0207 -8.9505 PRESSURE: 1411200 96.6712 -41.6164 -117.874 -41.6157 135.542 -71.5508 -117.875 -71.5502 46.7315 GPRESSURE: 1411200 192.888 -88.5933 -147.666 40.1372 210.15 -16.2406 -9.06373 -210.092 -18.5019 PRESSAVG: 1411200 -3.33481 -18.7288 -11.384 -18.7288 -20.1328 52.2176 -11.384 52.2176 4.322 GPRESSAVG: 1411200 -2.34236 -18.68 -11.4441 -18.1346 -20.1128 50.4073 -10.0509 51.381 3.62372 TIMING: 1411200 CPU: 4529.64, 0.00315286/step Wall: 4529.64, 0.00315286/step, 3.14305 hours remaining, 232.648438 MB of memory in use. ENERGY: 1411200 4044.1937 20614.1667 14525.7763 246.0462 -203330.5649 2638.9316 0.0000 0.0000 52159.9000 -109101.5504 299.7637 -161261.4504 -108736.7190 300.1944 92.9815 128.1786 761169.3019 -6.3819 -6.2771 PRESSURE: 1411400 -145.812 -176.191 -124.194 -176.192 -97.8856 -70.4222 -124.195 -70.4216 -119.192 GPRESSURE: 1411400 -105.059 -169.615 -168.254 -97.6062 -106.176 -51.1663 -73.9022 -19.2522 -75.0062 PRESSAVG: 1411400 45.226 1.55838 -31.3205 1.55842 -27.8433 0.08441 -31.3205 0.0844357 14.1692 GPRESSAVG: 1411400 44.3621 1.60532 -30.2165 0.679814 -27.4443 1.89095 -29.8387 -0.961961 14.0828 TIMING: 1411400 CPU: 4530.27, 0.00315572/step Wall: 4530.27, 0.00315572/step, 3.14572 hours remaining, 232.648438 MB of memory in use. ENERGY: 1411400 3991.9066 20636.9527 14410.9307 244.2822 -203207.1657 2457.6743 0.0000 0.0000 52316.1954 -109149.2237 300.6619 -161465.4192 -108778.1656 300.4156 -120.9631 -95.4138 760922.3961 10.5173 10.3335 PRESSURE: 1411600 -407.098 -210.59 -75.6226 -210.59 -111.436 -287.923 -75.6231 -287.923 -269.882 GPRESSURE: 1411600 -294.525 -124.96 -91.2865 -176.418 -96.6745 -321.721 -79.1747 -202.589 -328.49 PRESSAVG: 1411600 -30.0657 -32.685 24.9914 -32.685 42.8917 -14.6968 24.9913 -14.6969 7.67226 GPRESSAVG: 1411600 -29.4442 -32.6034 23.1219 -30.6668 42.2683 -14.7021 25.5731 -12.6056 6.99969 TIMING: 1411600 CPU: 4530.9, 0.00316336/step Wall: 4530.9, 0.00316336/step, 3.15317 hours remaining, 232.648438 MB of memory in use. ENERGY: 1411600 3975.1012 20579.6298 14509.0637 239.3949 -203077.9952 2365.1301 0.0000 0.0000 52210.0032 -109199.6723 300.0516 -161409.6755 -108839.9137 300.2393 -262.8054 -239.8964 759945.2214 6.8327 6.6079 PRESSURE: 1411800 129.386 -192.195 158.887 -192.195 49.2927 69.5012 158.887 69.5009 150.706 GPRESSURE: 1411800 173.053 -140.035 236.785 -249.835 135.899 35.661 -55.6918 -82.958 116.863 PRESSAVG: 1411800 -36.8724 -35.0741 13.1261 -35.0741 49.3645 -12.8433 13.1261 -12.8433 -29.3076 GPRESSAVG: 1411800 -36.2639 -36.1254 16.352 -35.6816 48.6231 -12.4151 9.96043 -14.5497 -28.5736 TIMING: 1411800 CPU: 4531.53, 0.00315542/step Wall: 4531.53, 0.00315542/step, 3.14507 hours remaining, 232.648438 MB of memory in use. ENERGY: 1411800 3983.4562 20625.0039 14462.1138 263.8292 -203405.6835 2516.8532 0.0000 0.0000 52193.9456 -109360.4816 299.9593 -161554.4272 -108997.6800 300.1506 109.7949 141.9383 761545.6507 -5.6052 -5.4048 PRESSURE: 1412000 -455.294 -40.0531 -203.931 -40.0515 -384.308 2.23118 -203.931 2.2291 32.7567 GPRESSURE: 1412000 -510.424 -110.153 -174.604 -136.961 -244.039 -10.3578 -191.82 34.8898 32.8776 PRESSAVG: 1412000 -12.6012 -22.8752 0.420031 -22.8753 26.4973 -58.2213 0.419988 -58.2213 16.3607 GPRESSAVG: 1412000 -14.5755 -24.506 -0.939174 -24.8314 29.4526 -58.3888 1.77045 -59.1651 15.4459 TIMING: 1412000 CPU: 4532.16, 0.00316125/step Wall: 4532.16, 0.00316125/step, 3.15072 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1412000 3992.9490 20700.3867 14459.3200 240.3113 -203441.1348 2545.8614 0.0000 0.0000 52286.5040 -109215.8024 300.4913 -161502.3064 -108855.7308 299.8526 -268.9485 -240.5285 762228.0603 10.0856 10.1077 PRESSURE: 1412200 63.1479 -300.605 110.279 -300.606 -62.1563 96.8464 110.279 96.8461 -17.8322 GPRESSURE: 1412200 95.3503 -260.267 16.4873 -277.115 -26.8302 21.052 94.4797 259.831 -2.24975 PRESSAVG: 1412200 -33.936 -54.7183 -1.07206 -54.7183 -17.7301 54.0168 -1.0721 54.0168 14.7474 GPRESSAVG: 1412200 -32.2945 -53.5436 -2.41082 -53.3842 -19.0727 52.7728 -3.05387 54.8642 14.7518 TIMING: 1412200 CPU: 4532.8, 0.00316873/step Wall: 4532.8, 0.00316873/step, 3.15799 hours remaining, 232.648438 MB of memory in use. ENERGY: 1412200 4036.1378 20575.3764 14461.3469 236.1136 -203028.0438 2535.5861 0.0000 0.0000 51999.8960 -109183.5869 298.8441 -161183.4829 -108828.8739 299.9030 -5.6135 22.0901 760683.9017 -12.3062 -12.2051 LDB: ============= START OF LOAD BALANCING ============== 4545.22 LDB: ============== END OF LOAD BALANCING =============== 4545.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4545.22 LDB: ============= START OF LOAD BALANCING ============== 4545.53 LDB: Largest compute 7071 load 0.032570 is 16.7% of average load 0.195336 LDB: Average compute 0.004378 is 2.2% of average load 0.195336 LDB: TIME 4545.54 LOAD: AVG 0.195336 MAX 0.209786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.457 MB LDB: TIME 4545.54 LOAD: AVG 0.195336 MAX 0.209786 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.461 MB LDB: TIME 4545.54 LOAD: AVG 0.195336 MAX 0.209786 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.461 MB LDB: ============== END OF LOAD BALANCING =============== 4545.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4545.54 PRESSURE: 1412400 -224.42 -115.266 -79.8571 -115.265 149.072 233.904 -79.8579 233.904 248.889 GPRESSURE: 1412400 -72.2141 -41.964 -61.1508 -35.0802 131.235 219.506 -48.6865 82.1752 207.581 PRESSAVG: 1412400 16.2658 -42.9713 37.349 -42.9713 -10.4424 -6.01955 37.349 -6.01957 25.1184 GPRESSAVG: 1412400 16.7917 -42.6417 38.2708 -42.7773 -11.3036 -4.48922 40.2477 -7.66573 25.5972 TIMING: 1412400 CPU: 4533.44, 0.00321282/step Wall: 4533.44, 0.00321282/step, 3.20175 hours remaining, 232.046875 MB of memory in use. ENERGY: 1412400 3952.5558 20631.4085 14463.4762 257.4081 -203397.2414 2568.8029 0.0000 0.0000 52405.9085 -109117.6814 301.1775 -161523.5899 -108744.7704 300.4846 57.8470 88.8673 760013.5038 10.3140 10.3618 PRESSURE: 1412600 172.374 -23.781 115.323 -23.7806 -116.221 81.7964 115.324 81.7964 178.061 GPRESSURE: 1412600 223.926 18.5269 177.852 3.93475 -36.0987 63.4975 94.4691 111.586 151.991 PRESSAVG: 1412600 -5.92588 14.9661 64.9771 14.9661 -10.3314 32.2838 64.977 32.2837 3.79546 GPRESSAVG: 1412600 -7.5397 13.9967 65.2794 16.5941 -8.61694 32.6822 63.8931 31.3085 3.6008 TIMING: 1412600 CPU: 4534.07, 0.0031509/step Wall: 4534.07, 0.0031509/step, 3.13987 hours remaining, 232.246094 MB of memory in use. ENERGY: 1412600 4015.3099 20554.1416 14510.7399 249.5482 -203593.5316 2478.1503 0.0000 0.0000 52492.6684 -109292.9733 301.6761 -161785.6417 -108915.3892 300.4296 78.0714 113.2727 758929.8999 -4.1540 -4.1853 PRESSURE: 1412800 255.204 47.3853 -17.2611 47.3854 51.6205 -89.8246 -17.2613 -89.8261 -383.002 GPRESSURE: 1412800 263.532 121.453 -100.859 60.9518 55.8175 -110.488 -51.9003 -15.6079 -323.402 PRESSAVG: 1412800 -8.62339 10.4439 39.7857 10.4438 26.8681 -22.7147 39.7857 -22.7146 5.13233 GPRESSAVG: 1412800 -8.50307 13.8283 39.061 10.7763 26.546 -24.2458 39.463 -19.3427 5.82376 TIMING: 1412800 CPU: 4534.7, 0.00316139/step Wall: 4534.7, 0.00316139/step, 3.15015 hours remaining, 232.246094 MB of memory in use. ENERGY: 1412800 3984.1810 20514.3366 14456.4951 246.4544 -203100.8094 2534.2774 0.0000 0.0000 51912.3146 -109452.7503 298.3408 -161365.0649 -109079.3615 299.9600 -25.3927 -1.3509 759581.1028 7.7923 7.9556 PRESSURE: 1413000 -70.3537 -161.817 10.578 -161.816 87.5787 -89.2921 10.5782 -89.2928 -54.0167 GPRESSURE: 1413000 -67.8309 -124.838 58.668 -114.993 68.1268 -42.6738 -24.5434 -131.051 43.1782 PRESSAVG: 1413000 -2.31878 36.0852 4.8782 36.0852 1.54117 -67.3699 4.87823 -67.37 25.6986 GPRESSAVG: 1413000 -2.78359 32.4201 4.26953 34.6792 1.63553 -66.9231 4.59446 -68.2424 26.3796 TIMING: 1413000 CPU: 4535.33, 0.00315409/step Wall: 4535.33, 0.00315409/step, 3.1427 hours remaining, 232.246094 MB of memory in use. ENERGY: 1413000 3908.2372 20482.5028 14432.4751 249.9865 -203053.9837 2101.1503 0.0000 0.0000 52297.8365 -109581.7954 300.5564 -161879.6318 -109213.7097 299.7003 -12.2639 14.4914 758448.2324 8.3070 8.4105 PRESSURE: 1413200 197.788 280.736 82.5543 280.736 -194.726 -5.85539 82.5541 -5.85455 163.911 GPRESSURE: 1413200 200.31 314.218 80.9667 168.237 -93.7666 -1.12864 79.7824 138.147 134.52 PRESSAVG: 1413200 35.8344 -20.4253 -16.6014 -20.4253 -42.7402 16.5276 -16.6013 16.5277 -9.93158 GPRESSAVG: 1413200 37.6623 -18.2868 -15.7504 -18.8096 -42.9633 17.138 -17.2645 15.393 -11.426 TIMING: 1413200 CPU: 4535.96, 0.00314716/step Wall: 4535.96, 0.00314716/step, 3.13563 hours remaining, 232.246094 MB of memory in use. ENERGY: 1413200 4014.5361 20515.3743 14411.5746 251.0267 -203410.6872 2535.4708 0.0000 0.0000 52150.2498 -109532.4548 299.7082 -161682.7046 -109175.1104 299.3271 55.6576 80.3544 759066.9968 -5.6125 -5.5757 PRESSURE: 1413400 -174.349 -78.5625 -72.4962 -78.5623 -78.4535 -39.3685 -72.4958 -39.3672 -217.692 GPRESSURE: 1413400 -184.571 -119.564 -26.6461 -67.1605 -50.6764 53.0632 -221.579 -151.417 -164.265 PRESSAVG: 1413400 56.4415 -13.7503 -30.2504 -13.7503 -61.6419 9.53943 -30.2504 9.53949 10.1849 GPRESSAVG: 1413400 55.7006 -16.5059 -30.5316 -15.8947 -61.185 8.84659 -29.4935 9.50018 11.0462 TIMING: 1413400 CPU: 4536.59, 0.00313903/step Wall: 4536.59, 0.00313903/step, 3.12734 hours remaining, 232.246094 MB of memory in use. ENERGY: 1413400 3950.4254 20504.3490 14487.7988 247.7121 -203332.8165 2411.9932 0.0000 0.0000 52239.2548 -109491.2833 300.2197 -161730.5381 -109116.1095 299.6168 -156.8313 -133.1711 760068.8307 1.6615 1.8540 PRESSURE: 1413600 -316.884 -17.6427 -60.7104 -17.6422 -667.232 -286.047 -60.7102 -286.047 -66.9484 GPRESSURE: 1413600 -332.161 51.6878 0.777129 -14.0729 -543.346 -159.956 -118.046 -331.117 -92.44 PRESSAVG: 1413600 22.8519 -0.186886 4.83609 -0.186868 8.63845 -22.4417 4.83608 -22.4417 9.1479 GPRESSAVG: 1413600 22.4814 1.30384 5.30598 1.91681 8.46258 -19.6987 4.87761 -24.5688 9.51285 TIMING: 1413600 CPU: 4537.21, 0.0031276/step Wall: 4537.21, 0.0031276/step, 3.11579 hours remaining, 232.246094 MB of memory in use. ENERGY: 1413600 3957.4376 20445.3984 14411.9582 256.6515 -203119.3494 2344.5965 0.0000 0.0000 51989.2337 -109714.0735 298.7828 -161703.3071 -109347.0211 299.2142 -350.3547 -322.6492 761880.9841 13.5461 13.4856 PRESSURE: 1413800 -351.576 -70.9742 -92.3666 -70.9734 -303.421 100.082 -92.3666 100.082 84.9759 GPRESSURE: 1413800 -327.85 4.97837 14.7493 -131.863 -234.678 131.878 -78.684 5.182 73.4012 PRESSAVG: 1413800 77.6992 -6.50489 39.9354 -6.50496 -91.0079 21.999 39.9354 21.9989 12.2526 GPRESSAVG: 1413800 79.0797 -6.004 39.6144 -8.55073 -90.5998 19.2776 39.1561 22.5348 10.6165 TIMING: 1413800 CPU: 4537.84, 0.00313373/step Wall: 4537.84, 0.00313373/step, 3.12171 hours remaining, 232.246094 MB of memory in use. ENERGY: 1413800 3961.2247 20574.7155 14475.6332 247.5027 -203032.6632 2312.4188 0.0000 0.0000 51961.0580 -109500.1103 298.6209 -161461.1683 -109138.6966 298.7539 -190.0072 -163.0423 762356.0124 -0.3521 -0.3012 PRESSURE: 1414000 243.162 -85.7695 272.861 -85.7695 -102.474 -145.885 272.861 -145.883 141.147 GPRESSURE: 1414000 203.597 26.1851 189.946 -31.5906 -57.0343 -175.623 -1.06476 -22.9681 224.539 PRESSAVG: 1414000 19.1401 -3.7728 0.974714 -3.77277 -58.6048 4.86488 0.974759 4.86492 2.78153 GPRESSAVG: 1414000 17.4144 -5.06096 1.05684 -2.40232 -58.9687 5.59247 0.329154 7.04028 4.61183 TIMING: 1414000 CPU: 4538.47, 0.00313103/step Wall: 4538.47, 0.00313103/step, 3.11886 hours remaining, 232.246094 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: 1414000 3984.2104 20596.9275 14455.4876 255.1180 -203013.5000 2438.8955 0.0000 0.0000 51868.1652 -109414.6958 298.0871 -161282.8610 -109054.1231 299.3309 93.9449 123.7006 761727.2966 -12.2277 -12.3142 PRESSURE: 1414200 161.092 -75.6113 -77.6709 -75.6116 17.9548 -138.402 -77.6708 -138.403 160.369 GPRESSURE: 1414200 118.434 -88.3609 -162.029 -235.976 137.818 -39.7494 -122.589 -261.441 185.732 PRESSAVG: 1414200 -20.7976 -38.2456 -19.9211 -38.2456 6.88122 26.4012 -19.9211 26.4012 -20.2507 GPRESSAVG: 1414200 -20.2872 -38.0794 -20.2058 -37.6584 7.2702 26.531 -19.9475 25.82 -21.3251 TIMING: 1414200 CPU: 4539.09, 0.00312877/step Wall: 4539.09, 0.00312877/step, 3.11643 hours remaining, 232.246094 MB of memory in use. ENERGY: 1414200 3938.6941 20550.3645 14488.3814 253.6226 -203602.9258 2671.0515 0.0000 0.0000 52026.1684 -109674.6433 298.9951 -161700.8116 -109327.0287 299.1684 113.1387 147.3282 759324.7213 -11.3890 -11.4474 PRESSURE: 1414400 63.8552 -203.746 4.42869 -203.746 -124.632 -33.9772 4.42813 -33.9774 218.827 GPRESSURE: 1414400 70.3722 -169.871 -56.662 -181.982 -74.8558 -6.6786 52.7648 -61.3863 232.143 PRESSAVG: 1414400 25.8708 5.39404 -16.5567 5.39408 -13.6773 11.3927 -16.5567 11.3927 -7.79956 GPRESSAVG: 1414400 24.6184 5.53243 -14.2603 3.74742 -13.3938 11.9358 -16.2727 10.2009 -6.82224 TIMING: 1414400 CPU: 4539.72, 0.00313323/step Wall: 4539.72, 0.00313323/step, 3.1207 hours remaining, 232.246094 MB of memory in use. ENERGY: 1414400 3905.3273 20551.9236 14415.2222 258.8087 -203320.1845 2508.5405 0.0000 0.0000 51940.3747 -109739.9875 298.5020 -161680.3622 -109380.0159 298.7070 52.6834 75.8865 759879.9785 1.4646 1.4675 PRESSURE: 1414600 442.443 32.866 -2.07943 32.8659 -25.8173 -69.1254 -2.07922 -69.1249 182.191 GPRESSURE: 1414600 497.364 60.468 -52.4015 -10.7391 39.6133 -101.453 43.3698 -6.71082 146.051 PRESSAVG: 1414600 61.0194 31.2396 -22.1847 31.2396 -22.2604 30.1468 -22.1846 30.1469 18.7155 GPRESSAVG: 1414600 61.5032 34.0039 -23.8689 31.1734 -22.4548 29.1589 -20.5515 32.2395 18.1949 TIMING: 1414600 CPU: 4540.35, 0.00313061/step Wall: 4540.35, 0.00313061/step, 3.11791 hours remaining, 232.246094 MB of memory in use. ENERGY: 1414600 3989.5085 20568.9810 14375.6078 242.8759 -203502.4548 2648.9427 0.0000 0.0000 52037.8733 -109638.6655 299.0624 -161676.5388 -109260.6191 298.6759 199.6058 227.6760 758706.6182 19.1582 19.0811 PRESSURE: 1414800 -153.474 -72.2359 -30.0317 -72.2361 -57.9206 97.8396 -30.0316 97.8396 -186.234 GPRESSURE: 1414800 -119.999 -78.1299 -3.28302 -12.0185 -76.67 55.8748 4.21825 5.69373 -122.139 PRESSAVG: 1414800 -35.2453 -46.3061 -5.7377 -46.3061 15.3305 -4.44165 -5.73768 -4.44169 -15.8814 GPRESSAVG: 1414800 -35.716 -49.2766 -6.07651 -45.2546 15.7083 -3.81875 -6.35709 -5.5983 -15.6647 TIMING: 1414800 CPU: 4540.97, 0.0031298/step Wall: 4540.97, 0.0031298/step, 3.11693 hours remaining, 232.246094 MB of memory in use. ENERGY: 1414800 3970.1462 20489.6724 14459.9537 237.1519 -203487.9243 2450.0072 0.0000 0.0000 52261.0438 -109619.9491 300.3449 -161880.9929 -109253.1540 299.1078 -132.5429 -106.2695 759919.6738 -11.9321 -11.8908 PRESSURE: 1415000 97.6489 -26.3249 -88.9507 -26.3252 76.0724 -145.371 -88.9502 -145.371 249.247 GPRESSURE: 1415000 222.114 24.879 -89.7682 -96.9408 83.9294 -168.417 -70.026 -40.6669 210.825 PRESSAVG: 1415000 26.2147 7.29529 -6.3616 7.29525 -20.0983 56.7329 -6.3616 56.7329 23.6518 GPRESSAVG: 1415000 27.7967 9.8735 -6.49871 6.73398 -21.49 55.3238 -6.54433 53.9699 23.4572 TIMING: 1415000 CPU: 4541.6, 0.00314654/step Wall: 4541.6, 0.00314654/step, 3.13343 hours remaining, 232.246094 MB of memory in use. ENERGY: 1415000 3987.8510 20532.1245 14423.3513 247.8674 -203358.4968 2662.6053 0.0000 0.0000 52046.9382 -109457.7590 299.1145 -161504.6972 -109099.3456 299.5484 140.9895 172.2893 758886.2745 9.9227 9.9213 PRESSURE: 1415200 191.014 -9.22443 -36.7174 -9.22442 -113.139 -39.5155 -36.7183 -39.515 -9.75747 GPRESSURE: 1415200 193.153 -49.454 -37.8703 -29.4505 -13.5226 9.56935 -66.319 -122.044 -19.5674 PRESSAVG: 1415200 67.369 5.76693 -42.4349 5.76698 -29.7419 8.96798 -42.4349 8.96795 2.12069 GPRESSAVG: 1415200 65.8525 2.95191 -44.3216 5.01939 -28.8134 12.0999 -42.3274 9.74368 2.78567 TIMING: 1415200 CPU: 4542.23, 0.00314195/step Wall: 4542.23, 0.00314195/step, 3.12868 hours remaining, 232.246094 MB of memory in use. ENERGY: 1415200 4018.0763 20504.4135 14401.9391 259.2372 -203430.2238 2624.0194 0.0000 0.0000 52227.7673 -109394.7710 300.1537 -161622.5383 -109044.9401 299.5977 22.7059 53.3542 760955.0683 13.2493 13.2749 PRESSURE: 1415400 -148.415 -101.674 -227.488 -101.674 -252.878 -49.069 -227.487 -49.0678 -209.797 GPRESSURE: 1415400 -94.3624 -135.443 -251.664 15.3444 -199.416 -25.9375 -77.2774 -64.3205 -237.033 PRESSAVG: 1415400 24.968 -45.9681 -13.0302 -45.9681 -71.141 33.1131 -13.0302 33.1131 -10.7689 GPRESSAVG: 1415400 25.5372 -45.5884 -11.831 -44.7774 -71.6439 30.5892 -12.0218 33.7337 -10.3358 TIMING: 1415400 CPU: 4542.85, 0.00311885/step Wall: 4542.85, 0.00311885/step, 3.10551 hours remaining, 232.246094 MB of memory in use. ENERGY: 1415400 4065.5289 20617.9528 14406.6235 219.0172 -203502.5042 2641.0557 0.0000 0.0000 52016.6664 -109535.6598 298.9405 -161552.3262 -109169.8588 299.2532 -203.6964 -176.9370 761541.6668 -18.9807 -18.8141 PRESSURE: 1415600 -48.8908 -19.9887 -26.2572 -19.9874 -1.27436 -91.6097 -26.2581 -91.6096 -106.435 GPRESSURE: 1415600 -8.20879 110.642 64.9549 -8.84792 70.7232 -132.566 -87.8469 -68.8912 -133.978 PRESSAVG: 1415600 6.23367 -31.5178 -13.1398 -31.5178 4.44559 -19.0034 -13.1398 -19.0034 24.0915 GPRESSAVG: 1415600 6.49978 -28.9127 -11.1002 -32.5744 4.91365 -19.4582 -13.705 -17.6693 22.8274 TIMING: 1415600 CPU: 4543.48, 0.00311928/step Wall: 4543.48, 0.00311928/step, 3.10576 hours remaining, 232.246094 MB of memory in use. ENERGY: 1415600 4010.5406 20469.7687 14327.5046 231.9758 -203006.5773 2430.8076 0.0000 0.0000 51800.7472 -109735.2328 297.6996 -161535.9799 -109366.0047 298.7132 -52.2000 -23.8213 761539.2770 11.5903 11.4136 PRESSURE: 1415800 -331.92 -14.7795 -22.4775 -14.7788 -29.103 -42.3761 -22.4776 -42.3762 599.948 GPRESSURE: 1415800 -145.156 7.53641 43.2766 -85.4514 -3.23821 -8.5691 -16.3229 -39.5763 465.234 PRESSAVG: 1415800 10.4978 -26.0679 -2.095 -26.068 10.9624 11.0712 -2.09504 11.0713 -7.26706 GPRESSAVG: 1415800 11.5263 -26.3915 -4.12314 -24.9424 11.4502 11.2673 -0.901725 11.7309 -8.1118 TIMING: 1415800 CPU: 4544.11, 0.00315132/step Wall: 4544.11, 0.00315132/step, 3.13749 hours remaining, 232.246094 MB of memory in use. ENERGY: 1415800 3969.4390 20636.5828 14378.2219 237.1229 -203109.6282 2364.5799 0.0000 0.0000 51859.1756 -109664.5061 298.0354 -161523.6817 -109302.7173 298.3767 79.6417 105.6133 760646.6792 4.7310 4.9549 PRESSURE: 1416000 147.806 -84.4078 186.218 -84.4078 -653.052 -87.5523 186.217 -87.5521 -448.675 GPRESSURE: 1416000 186.563 -201.71 145.647 -156.382 -632.031 -47.6271 123.229 -32.0801 -423.52 PRESSAVG: 1416000 -1.36471 -26.1288 8.12223 -26.1289 -57.5635 -0.985499 8.1222 -0.985433 -16.5754 GPRESSAVG: 1416000 -2.10593 -26.5729 8.31734 -27.7015 -58.2505 -0.0111492 6.74504 -3.89473 -15.0148 TIMING: 1416000 CPU: 4544.73, 0.00312443/step Wall: 4544.73, 0.00312443/step, 3.11054 hours remaining, 232.246094 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: 1416000 4017.2525 20483.9318 14438.5883 245.4635 -203142.0349 2471.9695 0.0000 0.0000 51977.7333 -109507.0961 298.7167 -161484.8294 -109150.6120 299.1099 -317.9737 -289.6626 761634.7455 -25.1679 -25.1237 PRESSURE: 1416200 77.1449 -121.813 190.193 -121.813 67.4526 -168.322 190.193 -168.323 397.999 GPRESSURE: 1416200 92.0161 -187.636 226.358 -59.9302 117.717 -127.367 219.647 -98.0445 420.3 PRESSAVG: 1416200 54.7306 -22.7475 -28.9943 -22.7474 -29.8763 -19.4871 -28.9942 -19.4872 29.2956 GPRESSAVG: 1416200 54.5035 -22.6924 -27.6414 -21.9481 -28.7958 -20.9021 -31.912 -16.3527 28.8795 TIMING: 1416200 CPU: 4545.36, 0.0031267/step Wall: 4545.36, 0.0031267/step, 3.11263 hours remaining, 232.246094 MB of memory in use. ENERGY: 1416200 3966.3730 20384.9833 14464.2288 256.0984 -203860.3379 2893.8267 0.0000 0.0000 52578.2707 -109316.5571 302.1680 -161894.8278 -108945.4133 299.6285 180.8653 210.0111 760308.8675 18.0500 18.1957 LDB: ============= START OF LOAD BALANCING ============== 4557.78 LDB: ============== END OF LOAD BALANCING =============== 4557.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4557.78 LDB: ============= START OF LOAD BALANCING ============== 4558.1 LDB: Largest compute 7071 load 0.033721 is 17.3% of average load 0.195350 LDB: Average compute 0.004400 is 2.3% of average load 0.195350 LDB: TIME 4558.1 LOAD: AVG 0.19535 MAX 0.211906 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.562 MB LDB: TIME 4558.1 LOAD: AVG 0.19535 MAX 0.211906 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.562 MB LDB: TIME 4558.1 LOAD: AVG 0.19535 MAX 0.211906 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.562 MB LDB: ============== END OF LOAD BALANCING =============== 4558.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4558.11 PRESSURE: 1416400 -55.5898 -273.21 29.4554 -273.209 273.984 18.8502 29.4543 18.8494 65.2103 GPRESSURE: 1416400 20.2699 -266.246 90.542 -120.567 297.861 13.9523 159.465 -90.6342 46.7749 PRESSAVG: 1416400 -26.5107 -82.6691 29.8626 -82.6691 39.541 -2.07688 29.8626 -2.07688 -5.82426 GPRESSAVG: 1416400 -25.9838 -81.7266 28.6558 -82.348 39.0362 -1.46086 32.833 -2.43666 -5.76172 TIMING: 1416400 CPU: 4546, 0.00321624/step Wall: 4546, 0.00321624/step, 3.20159 hours remaining, 231.335938 MB of memory in use. ENERGY: 1416400 3912.2421 20502.8627 14452.4401 256.2966 -203717.3068 2906.0585 0.0000 0.0000 52371.2439 -109316.1629 300.9783 -161687.4068 -108946.5253 299.3097 94.5349 121.6353 760480.6400 2.4020 2.4302 PRESSURE: 1416600 -202.053 -133.915 -66.1777 -133.915 -258.236 35.9592 -66.1779 35.9594 -188.861 GPRESSURE: 1416600 -259.579 -169.345 4.0253 -227.199 -173.307 -30.5512 -148.342 -0.45351 -148.29 PRESSAVG: 1416600 -10.6039 -56.5971 58.0404 -56.597 -33.8338 -2.534 58.0404 -2.53404 -32.8221 GPRESSAVG: 1416600 -11.7695 -57.9815 56.9779 -55.655 -33.3904 -3.09157 59.0594 -4.1889 -31.8195 TIMING: 1416600 CPU: 4546.63, 0.00314731/step Wall: 4546.63, 0.00314731/step, 3.1328 hours remaining, 231.593750 MB of memory in use. ENERGY: 1416600 4017.6992 20439.4041 14441.7137 245.7297 -203545.5517 2629.6308 0.0000 0.0000 52426.2636 -109345.1105 301.2945 -161771.3741 -108981.8821 299.3806 -216.3833 -193.7254 761385.7565 -25.7532 -25.6598 PRESSURE: 1416800 47.4305 13.9828 -132.191 13.9824 -189.829 -5.88992 -132.191 -5.88948 144.153 GPRESSURE: 1416800 69.3855 52.0524 -104.162 40.8594 -80.1561 50.2213 -92.8993 66.7368 110.994 PRESSAVG: 1416800 10.9828 -57.1146 1.40762 -57.1146 -5.21371 -14.8125 1.40764 -14.8125 13.6691 GPRESSAVG: 1416800 11.9487 -58.11 2.42282 -57.5326 -4.40044 -15.6414 -1.09986 -16.048 11.6822 TIMING: 1416800 CPU: 4547.27, 0.00317673/step Wall: 4547.27, 0.00317673/step, 3.1619 hours remaining, 231.593750 MB of memory in use. ENERGY: 1416800 3978.1879 20667.0303 14397.4473 249.6166 -203172.3749 2418.7610 0.0000 0.0000 52083.6024 -109377.7293 299.3252 -161461.3317 -109013.2146 299.9924 0.5850 33.4077 760855.9501 6.4794 6.4102 PRESSURE: 1417000 119.691 -301.778 -135.02 -301.779 -77.8209 -53.11 -135.019 -53.1086 195.051 GPRESSURE: 1417000 92.3228 -275.527 -175.159 -224.602 27.9151 -13.689 -113.688 9.34694 211.581 PRESSAVG: 1417000 -34.8867 -13.5963 0.79533 -13.5963 37.2392 22.7954 0.795312 22.7954 -0.988189 GPRESSAVG: 1417000 -35.3161 -12.3138 0.895016 -12.7489 36.1811 24.7189 1.61922 23.5926 0.642345 TIMING: 1417000 CPU: 4547.9, 0.00314504/step Wall: 4547.9, 0.00314504/step, 3.13019 hours remaining, 231.832031 MB of memory in use. ENERGY: 1417000 3882.0951 20554.2344 14430.3781 262.2806 -203288.9653 2418.2915 0.0000 0.0000 52369.1216 -109372.5640 300.9661 -161741.6857 -109012.5846 299.4087 78.9738 110.6061 761596.0544 0.4548 0.5025 PRESSURE: 1417200 -172.666 109.274 -125.071 109.274 -371.892 115.945 -125.07 115.945 -1.00272 GPRESSURE: 1417200 -147.153 -50.8742 -75.4739 182.348 -267.254 72.4798 -73.9178 -16.7679 -46.6549 PRESSAVG: 1417200 -5.45344 5.15245 17.8839 5.15243 -16.5713 0.609121 17.8838 0.609026 13.2674 GPRESSAVG: 1417200 -4.9617 4.64537 17.3165 5.23274 -17.0031 -2.0253 19.5135 0.505909 13.2725 TIMING: 1417200 CPU: 4548.52, 0.00314041/step Wall: 4548.52, 0.00314041/step, 3.1254 hours remaining, 231.832031 MB of memory in use. ENERGY: 1417200 3998.3166 20577.2205 14519.1936 232.5923 -203165.3927 2307.7899 0.0000 0.0000 52175.2836 -109354.9962 299.8521 -161530.2798 -108990.0298 299.1693 -181.8538 -153.6873 760908.6062 -2.9191 -2.8974 PRESSURE: 1417400 148.99 118.075 188.734 118.074 130.801 -12.0024 188.733 -12.003 -180.904 GPRESSURE: 1417400 194.688 40.0152 152.116 34.1935 160.34 -28.1851 84.9829 -62.0535 -164.071 PRESSAVG: 1417400 -8.2426 -21.8596 34.1326 -21.8596 -1.90211 -20.7422 34.1326 -20.7422 -3.85765 GPRESSAVG: 1417400 -6.98042 -22.7514 34.8543 -23.4681 -1.72352 -20.0535 32.3791 -20.8277 -4.21616 TIMING: 1417400 CPU: 4549.16, 0.00318998/step Wall: 4549.16, 0.00318998/step, 3.17456 hours remaining, 231.832031 MB of memory in use. ENERGY: 1417400 3975.1601 20584.2583 14384.5497 220.8907 -203702.5840 2756.0824 0.0000 0.0000 52197.4613 -109584.1815 299.9795 -161781.6428 -109221.6392 299.4527 32.9624 63.6523 758548.6552 -4.6675 -4.3067 PRESSURE: 1417600 -269.73 57.5333 149.384 57.535 -421.895 28.027 149.384 28.0273 90.1107 GPRESSURE: 1417600 -279.844 -51.5025 109.464 16.4724 -285.481 82.7041 209.106 -59.0946 62.8834 PRESSAVG: 1417600 21.7863 -26.1373 9.35251 -26.1373 2.10105 35.5226 9.35256 35.5227 -1.38863 GPRESSAVG: 1417600 21.6426 -27.2422 9.00379 -25.9807 2.07911 35.1004 10.861 35.1612 -1.1588 TIMING: 1417600 CPU: 4549.79, 0.00314784/step Wall: 4549.79, 0.00314784/step, 3.13245 hours remaining, 231.832031 MB of memory in use. ENERGY: 1417600 4017.9020 20576.8545 14397.2236 241.5141 -202990.7653 2327.8752 0.0000 0.0000 51865.5076 -109563.8882 298.0718 -161429.3958 -109203.5507 299.1083 -200.5048 -167.4807 761051.4815 7.4996 7.5210 PRESSURE: 1417800 176.37 170.341 178.468 170.342 -244.587 111.643 178.468 111.643 -137.578 GPRESSURE: 1417800 114.714 148.186 291.395 132.198 -166.974 166.307 -17.7489 98.4433 -68.1264 PRESSAVG: 1417800 -23.7357 -63.3171 -9.3962 -63.317 28.9222 -19.5037 -9.39614 -19.5036 -15.2327 GPRESSAVG: 1417800 -24.0735 -61.1893 -9.54455 -62.4725 29.1495 -18.7867 -9.88495 -17.6357 -14.8927 TIMING: 1417800 CPU: 4550.42, 0.00315528/step Wall: 4550.42, 0.00315528/step, 3.13968 hours remaining, 231.832031 MB of memory in use. ENERGY: 1417800 3953.2761 20462.3279 14421.0430 256.2750 -203263.7336 2627.6271 0.0000 0.0000 52088.4252 -109454.7593 299.3529 -161543.1845 -109093.8586 298.9924 -68.5984 -40.1286 762316.9026 -3.3488 -3.2722 PRESSURE: 1418000 0.69765 57.5592 79.2864 57.5598 109.444 83.3509 79.2868 83.3514 -14.056 GPRESSURE: 1418000 10.0595 79.6701 48.3631 -50.9868 148.394 149.702 51.4615 115.632 5.61853 PRESSAVG: 1418000 -71.3537 -15.2456 -0.413793 -15.2456 40.7441 10.9871 -0.413798 10.9872 8.19534 GPRESSAVG: 1418000 -70.3775 -14.5696 -0.46548 -17.4317 40.2548 12.0536 -3.05052 10.6357 7.43601 TIMING: 1418000 CPU: 4551.05, 0.00314451/step Wall: 4551.05, 0.00314451/step, 3.12879 hours remaining, 231.832031 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: 1418000 4011.5053 20428.5405 14376.8928 272.4686 -203401.0043 2700.1089 0.0000 0.0000 52216.4756 -109395.0125 300.0888 -161611.4881 -109038.4251 299.6363 32.0286 54.6908 761481.9373 -7.4714 -7.5622 PRESSURE: 1418200 -53.5392 -129.427 -67.7942 -129.427 151.613 -67.9143 -67.7947 -67.9144 -117.899 GPRESSURE: 1418200 29.1345 -135.082 -62.8162 -159.955 151.809 -174.44 -108.741 39.2292 -116.456 PRESSAVG: 1418200 3.72854 6.10801 11.393 6.10801 -45.7297 -16.8066 11.3929 -16.8066 18.5643 GPRESSAVG: 1418200 2.93323 5.89217 10.8912 7.93058 -45.2204 -16.7444 12.8329 -18.6159 19.4679 TIMING: 1418200 CPU: 4551.68, 0.00313651/step Wall: 4551.68, 0.00313651/step, 3.12065 hours remaining, 231.832031 MB of memory in use. ENERGY: 1418200 3963.6677 20366.7308 14467.1758 267.7144 -203235.0982 2504.7421 0.0000 0.0000 52058.1600 -109606.9073 299.1790 -161665.0674 -109236.3072 299.1689 -6.6084 21.4959 760071.9228 -7.8123 -7.6064 PRESSURE: 1418400 208.738 -108.501 -168.57 -108.501 -250.989 66.3845 -168.57 66.3858 106.607 GPRESSURE: 1418400 200.799 -174.174 -132.643 -176.493 -165.648 78.4508 -99.7008 -59.137 96.8019 PRESSAVG: 1418400 -14.8853 -48.6499 -22.2127 -48.6499 14.7861 5.35348 -22.2127 5.35348 1.02458 GPRESSAVG: 1418400 -15.3157 -50.1834 -20.8179 -47.68 15.5349 4.03448 -22.205 7.39476 0.897279 TIMING: 1418400 CPU: 4552.3, 0.00313286/step Wall: 4552.3, 0.00313286/step, 3.11684 hours remaining, 231.832031 MB of memory in use. ENERGY: 1418400 3949.2632 20619.9027 14493.1503 229.4112 -203192.9045 2278.1426 0.0000 0.0000 52143.3009 -109479.7335 299.6683 -161623.0344 -109125.2041 299.4157 21.4521 43.9842 761591.7450 0.3084 0.3721 PRESSURE: 1418600 -12.3116 -161.179 174.491 -161.179 -98.614 -1.74676 174.491 -1.74705 -131.669 GPRESSURE: 1418600 3.17855 -131.048 156.578 -152.708 14.4493 74.235 140.158 -80.6052 -181.681 PRESSAVG: 1418600 28.1706 -36.9567 -30.2743 -36.9567 2.69299 14.1356 -30.2744 14.1356 -19.9412 GPRESSAVG: 1418600 28.5021 -33.5507 -32.1081 -39.3161 2.19477 13.5246 -29.1708 13.0506 -19.3921 TIMING: 1418600 CPU: 4552.93, 0.00313986/step Wall: 4552.93, 0.00313986/step, 3.12363 hours remaining, 231.832031 MB of memory in use. ENERGY: 1418600 3955.3871 20530.8578 14464.9052 242.4237 -202731.5322 2108.3891 0.0000 0.0000 52124.2567 -109305.3127 299.5588 -161429.5693 -108942.2912 299.2656 -80.8648 -54.6844 761498.8187 3.6408 3.7683 PRESSURE: 1418800 -245.087 119.767 -110.505 119.766 -103.943 24.8295 -110.505 24.8288 -131.424 GPRESSURE: 1418800 -200.346 120.334 -17.5426 13.7476 -86.2712 7.61215 -224.583 199.296 -116.335 PRESSAVG: 1418800 9.73905 19.431 -14.1861 19.431 -9.83217 -8.38157 -14.1861 -8.38153 -0.380328 GPRESSAVG: 1418800 10.3385 18.7609 -12.8375 19.2868 -9.67897 -10.2539 -16.5082 -5.06385 -1.48507 TIMING: 1418800 CPU: 4553.56, 0.00312805/step Wall: 4553.56, 0.00312805/step, 3.11172 hours remaining, 231.832031 MB of memory in use. ENERGY: 1418800 3979.7188 20585.8309 14486.9651 239.8351 -202649.5932 2010.9487 0.0000 0.0000 52296.2959 -109049.9987 300.5475 -161346.2946 -108688.6423 299.7017 -160.1511 -134.3176 760136.6938 -0.1578 -0.2752 PRESSURE: 1419000 -80.6912 -154.58 125.635 -154.58 210.632 -148.522 125.636 -148.522 63.4666 GPRESSURE: 1419000 26.3312 -59.8696 105.783 -113.748 230.065 -81.7464 177.377 -135.662 39.4029 PRESSAVG: 1419000 50.67 -28.8949 8.8614 -28.895 -35.7739 -27.3751 8.86138 -27.3751 -10.223 GPRESSAVG: 1419000 51.7037 -29.5139 6.68246 -28.997 -36.6331 -23.9494 10.6234 -30.3053 -9.63233 TIMING: 1419000 CPU: 4554.19, 0.00314766/step Wall: 4554.19, 0.00314766/step, 3.13105 hours remaining, 231.832031 MB of memory in use. ENERGY: 1419000 3974.0410 20511.9629 14528.5000 239.8144 -202815.6451 2368.0644 0.0000 0.0000 52318.6740 -108874.5885 300.6761 -161193.2625 -108510.7108 300.2368 64.4693 98.5997 759400.6450 1.5577 1.8128 PRESSURE: 1419200 97.3289 -103.828 -82.337 -103.828 147.648 182.33 -82.3359 182.33 -183.676 GPRESSURE: 1419200 76.3554 -70.8358 -67.721 -107.545 201.67 138.624 -178.411 180.015 -133.549 PRESSAVG: 1419200 -39.9067 8.72882 9.63784 8.72886 -10.7627 -30.2494 9.63785 -30.2495 10.5465 GPRESSAVG: 1419200 -39.0618 8.49721 11.9698 10.3932 -10.4146 -31.7002 10.8283 -31.9331 9.78965 TIMING: 1419200 CPU: 4554.82, 0.00315533/step Wall: 4554.82, 0.00315533/step, 3.1385 hours remaining, 231.832031 MB of memory in use. ENERGY: 1419200 4008.2777 20537.0337 14555.3175 248.0528 -203345.2356 2723.0895 0.0000 0.0000 52455.1226 -108818.3419 301.4603 -161273.4645 -108452.0599 300.5313 20.4338 48.1588 760107.3806 -13.3743 -13.2289 PRESSURE: 1419400 256.132 -88.756 -94.335 -88.7553 144.177 55.9894 -94.336 55.99 -79.0834 GPRESSURE: 1419400 249.506 -55.0907 -136.373 -134.764 209.536 180.869 -27.4447 88.3764 -12.9188 PRESSAVG: 1419400 16.4689 17.2895 7.83825 17.2895 11.8595 -3.53824 7.83824 -3.5382 -9.94703 GPRESSAVG: 1419400 15.892 18.9582 8.08733 15.2214 12.579 -1.95208 6.14578 -2.90695 -10.2297 TIMING: 1419400 CPU: 4555.45, 0.00314582/step Wall: 4555.45, 0.00314582/step, 3.12887 hours remaining, 231.832031 MB of memory in use. ENERGY: 1419400 3967.9164 20672.2302 14509.3272 262.3536 -203447.4671 2706.6607 0.0000 0.0000 52419.2786 -108909.7005 301.2543 -161328.9791 -108538.6202 300.6099 107.0755 148.7076 760955.0050 6.1271 6.0804 PRESSURE: 1419600 -250.626 -123.689 104.602 -123.689 -258.229 -191.297 104.602 -191.297 219.106 GPRESSURE: 1419600 -178.951 -141.855 66.3471 -238.798 -227.891 -190.699 164.07 -167.066 223.072 PRESSAVG: 1419600 -41.1391 -7.74703 46.7405 -7.74707 72.0338 44.9611 46.7405 44.961 16.3355 GPRESSAVG: 1419600 -42.8202 -9.91413 45.6412 -7.2043 72.5945 43.7328 47.3535 45.3588 17.8905 TIMING: 1419600 CPU: 4556.08, 0.00314123/step Wall: 4556.08, 0.00314123/step, 3.12412 hours remaining, 231.832031 MB of memory in use. ENERGY: 1419600 4029.1230 20677.5441 14441.3422 245.7590 -203353.3101 2688.1721 0.0000 0.0000 52234.3818 -109036.9880 300.1917 -161271.3698 -108683.6876 300.4425 -96.5832 -61.2566 759464.9540 15.7434 15.8883 PRESSURE: 1419800 -267.456 188.193 -12.4162 188.193 -161.012 -12.2555 -12.4174 -12.2553 -422.107 GPRESSURE: 1419800 -245.637 218.62 -33.3016 248.519 -87.6027 -39.1421 116.981 9.03225 -427.374 PRESSAVG: 1419800 36.6197 -34.633 -10.4776 -34.633 -59.1957 44.7518 -10.4777 44.7518 -15.4213 GPRESSAVG: 1419800 37.4307 -33.8271 -9.84638 -31.6558 -60.2557 44.5912 -10.3288 44.8372 -15.5135 TIMING: 1419800 CPU: 4556.71, 0.00314432/step Wall: 4556.71, 0.00314432/step, 3.12703 hours remaining, 231.832031 MB of memory in use. ENERGY: 1419800 3964.7272 20577.2757 14482.0190 271.8238 -203105.5939 2415.9257 0.0000 0.0000 52334.6015 -109059.2209 300.7677 -161393.8225 -108694.9007 300.7581 -283.5250 -253.5379 760577.9999 -12.6658 -12.7795 PRESSURE: 1420000 -356.044 -115.331 201.544 -115.331 124.406 100.037 201.544 100.037 -300.567 GPRESSURE: 1420000 -174.065 -16.8462 207.374 -132.524 69.864 50.6752 154.031 12.1957 -346.001 PRESSAVG: 1420000 -38.5054 -3.28622 3.63489 -3.28621 28.4075 26.609 3.63495 26.6091 -13.0015 GPRESSAVG: 1420000 -37.0969 -3.28265 3.42172 -5.93515 28.5841 26.6236 2.97045 26.9686 -14.1945 TIMING: 1420000 CPU: 4557.33, 0.00314614/step Wall: 4557.33, 0.00314614/step, 3.12866 hours remaining, 231.832031 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: 1420000 4007.7872 20528.3078 14526.5536 243.8353 -203142.5411 2582.9940 0.0000 0.0000 52037.1779 -109215.8853 299.0584 -161253.0632 -108853.3291 300.0881 -177.4016 -150.0672 759054.8822 -7.6998 -7.5691 PRESSURE: 1420200 -177.392 34.1141 -158.346 34.1148 163.357 6.36842 -158.346 6.36866 -0.48976 GPRESSURE: 1420200 -106.994 -26.7893 -102.45 42.8916 119.526 -78.2156 -162.287 28.8898 49.8289 PRESSAVG: 1420200 -42.4665 36.0017 13.4714 36.0017 50.3014 49.7895 13.4714 49.7895 7.81435 GPRESSAVG: 1420200 -41.8579 35.7503 14.2264 37.2494 49.2079 49.6747 13.4073 48.081 7.98583 TIMING: 1420200 CPU: 4557.96, 0.0031404/step Wall: 4557.96, 0.0031404/step, 3.12278 hours remaining, 231.832031 MB of memory in use. ENERGY: 1420200 4011.7673 20512.8493 14499.3430 248.7205 -203431.0844 2611.6880 0.0000 0.0000 52126.3916 -109420.3246 299.5711 -161546.7162 -109051.7680 299.9573 -4.8415 20.7867 759428.1921 5.2164 5.1119 LDB: ============= START OF LOAD BALANCING ============== 4570.38 LDB: ============== END OF LOAD BALANCING =============== 4570.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4570.39 LDB: ============= START OF LOAD BALANCING ============== 4570.7 LDB: Largest compute 7073 load 0.034858 is 17.8% of average load 0.195287 LDB: Average compute 0.004409 is 2.3% of average load 0.195287 LDB: TIME 4570.71 LOAD: AVG 0.195287 MAX 0.217853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.766 MB LDB: TIME 4570.71 LOAD: AVG 0.195287 MAX 0.217853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.766 MB LDB: TIME 4570.71 LOAD: AVG 0.195287 MAX 0.217853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.766 MB LDB: ============== END OF LOAD BALANCING =============== 4570.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4570.71 PRESSURE: 1420400 141.452 245.656 -25.1125 245.656 -169.356 54.1108 -25.1123 54.1114 -258.52 GPRESSURE: 1420400 210.73 237.351 -4.04753 188.251 -134.291 65.2684 19.0581 67.2795 -274.83 PRESSAVG: 1420400 3.48901 30.3038 -16.0115 30.3038 -5.60895 -8.15774 -16.0115 -8.15776 7.12049 GPRESSAVG: 1420400 2.40406 30.3951 -18.1709 28.5427 -3.78395 -7.74903 -14.9193 -7.14467 7.1111 TIMING: 1420400 CPU: 4558.61, 0.00322798/step Wall: 4558.61, 0.00322798/step, 3.20969 hours remaining, 231.894531 MB of memory in use. ENERGY: 1420400 4037.7745 20565.4759 14486.9838 238.4718 -202978.9778 2251.9106 0.0000 0.0000 52095.2995 -109303.0617 299.3924 -161398.3611 -108941.8503 299.7609 -95.4748 -66.1304 760266.3531 1.6669 1.9104 PRESSURE: 1420600 -142.099 -36.2517 -29.9685 -36.2514 -10.1911 74.349 -29.9683 74.3497 -390.447 GPRESSURE: 1420600 -229.766 -43.9372 4.63999 64.0248 59.4225 153.13 25.3174 106.765 -293.788 PRESSAVG: 1420600 -28.7738 2.80841 -30.371 2.80842 17.6025 2.4675 -30.3709 2.46764 2.16319 GPRESSAVG: 1420600 -29.1335 -0.0471109 -28.441 3.47225 18.2707 3.20895 -30.8367 -0.31839 2.03497 TIMING: 1420600 CPU: 4559.24, 0.00316038/step Wall: 4559.24, 0.00316038/step, 3.14229 hours remaining, 231.894531 MB of memory in use. ENERGY: 1420600 3992.0441 20496.9994 14415.7164 249.0663 -203368.3501 2507.0716 0.0000 0.0000 52143.4909 -109563.9614 299.6694 -161707.4522 -109195.1107 299.4663 -180.9123 -154.7108 761541.8448 -3.0027 -2.9426 PRESSURE: 1420800 -416.974 190.733 168.238 190.733 -250.581 -52.6024 168.238 -52.6031 -372.032 GPRESSURE: 1420800 -383.779 182.615 127.03 274.633 -246.693 -70.9446 97.3977 -133.796 -308.324 PRESSAVG: 1420800 -49.4934 -3.92718 -20.4858 -3.92709 69.1597 16.6366 -20.4858 16.6366 -4.11326 GPRESSAVG: 1420800 -49.8149 -3.20166 -22.2985 -2.3994 68.8455 15.3669 -18.9252 18.8454 -3.73172 TIMING: 1420800 CPU: 4559.87, 0.00315772/step Wall: 4559.87, 0.00315772/step, 3.13947 hours remaining, 231.894531 MB of memory in use. ENERGY: 1420800 4085.4684 20587.2657 14436.1703 232.1981 -202939.7966 2333.7917 0.0000 0.0000 51902.7439 -109362.1586 298.2858 -161264.9024 -108997.1936 299.3674 -346.5289 -312.9321 760786.9088 5.1844 5.0996 PRESSURE: 1421000 -152.455 -112.36 -104.802 -112.36 174.062 158.382 -104.802 158.382 -1.43239 GPRESSURE: 1421000 -160.028 -170.617 -172.673 -86.5365 114.42 172.238 -18.2856 104.172 144.253 PRESSAVG: 1421000 -63.3709 -7.98381 -19.2754 -7.98379 73.9888 9.45291 -19.2755 9.45296 -22.3621 GPRESSAVG: 1421000 -63.7369 -7.34276 -18.5226 -6.87918 73.2428 10.7557 -18.8064 10.3038 -21.6637 TIMING: 1421000 CPU: 4560.5, 0.00313306/step Wall: 4560.5, 0.00313306/step, 3.11479 hours remaining, 231.894531 MB of memory in use. ENERGY: 1421000 4026.3024 20461.1887 14522.7760 249.2512 -203064.6080 2341.6430 0.0000 0.0000 52038.9345 -109424.5121 299.0685 -161463.4466 -109058.3137 299.3662 6.7251 32.8816 761801.6845 -3.9147 -4.0526 PRESSURE: 1421200 25.982 497.507 3.33678 497.506 -353.682 -212.158 3.33801 -212.159 148.902 GPRESSURE: 1421200 -26.0863 280.469 101.741 308.259 -200.225 -219.606 -153.988 -154.808 124.217 PRESSAVG: 1421200 -12.0999 -6.1829 33.4609 -6.1829 0.644491 20.3019 33.4609 20.3018 15.1797 GPRESSAVG: 1421200 -12.7114 -5.24604 33.8489 -10.0584 1.41371 18.5494 32.095 19.1802 14.6866 TIMING: 1421200 CPU: 4561.13, 0.00314458/step Wall: 4561.13, 0.00314458/step, 3.12606 hours remaining, 231.894531 MB of memory in use. ENERGY: 1421200 4059.7190 20572.8142 14442.9487 246.8140 -203339.7707 2383.2630 0.0000 0.0000 52274.9865 -109359.2252 300.4251 -161634.2118 -108998.6969 299.9691 -59.5996 -34.0313 759628.4055 1.2414 1.1296 PRESSURE: 1421400 -40.8462 -31.8808 -176.125 -31.8818 128.341 -105.317 -176.124 -105.318 -10.2772 GPRESSURE: 1421400 -31.0828 -79.2473 -194.68 -10.5517 185.771 -122.44 -194.25 -29.8467 17.2726 PRESSAVG: 1421400 -31.3776 -7.28772 52.4732 -7.28764 51.0391 39.3865 52.4733 39.3865 -45.8599 GPRESSAVG: 1421400 -31.7161 -8.14821 53.2169 -6.61512 51.146 40.9251 52.7165 39.2319 -45.3878 TIMING: 1421400 CPU: 4561.76, 0.00315219/step Wall: 4561.76, 0.00315219/step, 3.13345 hours remaining, 231.894531 MB of memory in use. ENERGY: 1421400 4034.8446 20599.4159 14424.9920 250.3144 -203309.1459 2391.8947 0.0000 0.0000 52234.8388 -109372.8454 300.1943 -161607.6842 -109008.6525 300.0597 25.7391 57.3202 759082.9781 -8.7328 -8.6526 PRESSURE: 1421600 -286.271 -35.8582 33.6288 -35.8581 -8.51057 156.43 33.6292 156.431 -122.667 GPRESSURE: 1421600 -250.261 -97.1808 67.0341 -25.7101 68.5791 163.22 -42.0661 172.801 -148.886 PRESSAVG: 1421600 -4.56505 5.87666 39.1233 5.87665 -2.9951 39.5698 39.1233 39.5697 7.53262 GPRESSAVG: 1421600 -4.51135 6.00059 39.2299 7.66641 -2.68943 40.6689 37.7745 39.4549 7.22998 TIMING: 1421600 CPU: 4562.4, 0.00319207/step Wall: 4562.4, 0.00319207/step, 3.17291 hours remaining, 231.894531 MB of memory in use. ENERGY: 1421600 4031.7281 20699.7077 14564.5515 237.6326 -203008.6017 2132.5907 0.0000 0.0000 51866.8895 -109475.5016 298.0797 -161342.3911 -109113.3452 300.1618 -139.1496 -110.1893 760585.0216 -0.0092 0.0097 PRESSURE: 1421800 124.653 -121.724 -304.582 -121.723 -166.8 54.6145 -304.583 54.6132 40.5737 GPRESSURE: 1421800 125.582 -167.688 -220.972 -91.2287 -146.31 102.232 -265.89 -107.158 124.212 PRESSAVG: 1421800 -22.2911 -22.1381 -47.6163 -22.1382 48.0698 20.5779 -47.6163 20.5779 6.09938 GPRESSAVG: 1421800 -20.9794 -21.7212 -48.0962 -23.6582 45.5828 19.0863 -46.1608 19.3263 6.87251 TIMING: 1421800 CPU: 4563.03, 0.00319327/step Wall: 4563.03, 0.00319326/step, 3.17393 hours remaining, 231.894531 MB of memory in use. ENERGY: 1421800 3995.5240 20554.3534 14384.4056 261.1360 -203615.1692 2502.4664 0.0000 0.0000 52365.0167 -109552.2672 300.9425 -161917.2839 -109184.5883 300.0649 -0.5244 34.4946 759463.9567 10.6260 10.4920 PRESSURE: 1422000 -336.328 35.6707 13.4892 35.6705 -374.151 -95.0783 13.4891 -95.0791 160.406 GPRESSURE: 1422000 -302.38 -46.9225 49.3167 -75.1511 -218.313 -50.3237 21.5542 -106.517 49.7621 PRESSAVG: 1422000 -25.8321 0.753885 -32.9753 0.753814 71.3912 36.9699 -32.9753 36.9699 -7.29735 GPRESSAVG: 1422000 -26.88 0.989012 -32.7113 2.35434 74.6212 37.364 -33.3463 37.3702 -9.59366 TIMING: 1422000 CPU: 4563.67, 0.00319123/step Wall: 4563.67, 0.00319124/step, 3.17173 hours remaining, 231.894531 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: 1422000 3944.5163 20628.2597 14525.8988 234.0304 -203334.5993 2376.6068 0.0000 0.0000 52293.9352 -109331.3520 300.5340 -161625.2873 -108959.0863 299.9472 -183.3577 -156.9768 763297.6084 12.7539 12.7158 PRESSURE: 1422200 -228.158 -107.258 -30.4217 -107.258 -118.831 49.6927 -30.421 49.6923 -284.4 GPRESSURE: 1422200 -212.979 -61.262 -5.58353 -18.3421 -66.7341 44.1742 74.7314 59.7032 -263.059 PRESSAVG: 1422200 -40.0973 -19.0433 14.3313 -19.0433 13.492 14.4802 14.3313 14.4802 22.4278 GPRESSAVG: 1422200 -39.1292 -17.9159 14.9645 -19.2901 12.2438 15.1102 15.0988 14.9758 23.0341 TIMING: 1422200 CPU: 4564.31, 0.00319767/step Wall: 4564.31, 0.00319767/step, 3.17795 hours remaining, 231.894531 MB of memory in use. ENERGY: 1422200 4011.8233 20719.7800 14488.4467 222.9463 -203411.4508 2478.8100 0.0000 0.0000 52109.7812 -109379.8633 299.4756 -161489.6445 -109021.8860 299.9185 -210.4630 -180.9238 759825.0647 -1.3925 -1.2838 PRESSURE: 1422400 414.592 -202.806 -73.5978 -202.807 456.45 81.991 -73.598 81.9903 -20.7784 GPRESSURE: 1422400 470.238 -84.1605 -131.039 -249.874 425.225 4.92169 -43.7457 164.31 26.8167 PRESSAVG: 1422400 -7.1819 -28.7046 -4.12015 -28.7046 -23.1297 12.4541 -4.12015 12.454 -3.85574 GPRESSAVG: 1422400 -8.04508 -29.2485 -6.0274 -28.6656 -24.1984 12.1796 -4.86039 13.101 -2.19845 TIMING: 1422400 CPU: 4564.95, 0.00318899/step Wall: 4564.95, 0.00318899/step, 3.16914 hours remaining, 231.894531 MB of memory in use. ENERGY: 1422400 3959.3018 20670.3127 14428.0123 236.5217 -204026.2446 2817.8917 0.0000 0.0000 52292.7332 -109621.4713 300.5271 -161914.2044 -109263.9208 299.6080 283.4211 307.4266 759022.5497 -11.3891 -11.4807 PRESSURE: 1422600 242.274 -53.8442 -82.301 -53.8442 131.956 50.5903 -82.3015 50.5891 147.071 GPRESSURE: 1422600 250.259 -0.950108 -109.12 -62.4746 248.004 -16.7841 -59.3508 120.453 108.319 PRESSAVG: 1422600 -22.6629 -50.715 -2.38963 -50.7148 16.6569 28.5744 -2.38967 28.5744 -2.8647 GPRESSAVG: 1422600 -23.4319 -50.121 -0.453767 -52.4137 18.5563 27.8799 -2.50991 28.3421 -4.1902 TIMING: 1422600 CPU: 4565.59, 0.00321281/step Wall: 4565.59, 0.00321281/step, 3.19264 hours remaining, 231.894531 MB of memory in use. ENERGY: 1422600 3999.8823 20410.2427 14426.6909 262.4395 -203446.9390 2315.8962 0.0000 0.0000 52230.7366 -109801.0508 300.1708 -162031.7874 -109440.9172 299.1291 173.7671 202.1941 760039.4431 -2.9569 -3.0219 PRESSURE: 1422800 246.196 322.118 6.499 322.118 84.845 -134.814 6.49875 -134.813 139.633 GPRESSURE: 1422800 212.269 369.765 -46.986 336.347 175.6 -86.0923 -13.358 -350.372 168.898 PRESSAVG: 1422800 12.184 -65.0384 7.1089 -65.0383 -4.13201 22.1391 7.10888 22.1391 -10.9895 GPRESSAVG: 1422800 12.4832 -64.6152 3.79444 -63.4054 -4.97092 21.8059 6.24771 22.8955 -10.2604 TIMING: 1422800 CPU: 4566.24, 0.00321546/step Wall: 4566.24, 0.00321546/step, 3.1951 hours remaining, 231.894531 MB of memory in use. ENERGY: 1422800 4024.4221 20531.9261 14502.0756 257.4186 -204133.9072 2823.2092 0.0000 0.0000 52260.3080 -109734.5475 300.3407 -161994.8555 -109369.6134 299.3602 156.8912 185.5889 757651.1721 -0.9792 -0.9161 PRESSURE: 1423000 100.836 -383.677 221.11 -383.676 -95.1329 15.6282 221.11 15.6276 76.1083 GPRESSURE: 1423000 50.2239 -297.576 180.513 -285.914 -0.647989 53.4701 101.203 60.8864 100.643 PRESSAVG: 1423000 20.1141 -44.7751 0.676104 -44.7751 -18.4525 13.7697 0.676122 13.7698 7.18433 GPRESSAVG: 1423000 21.7937 -46.5458 3.17151 -45.8396 -19.2401 14.0397 4.40138 12.3029 6.21728 TIMING: 1423000 CPU: 4566.88, 0.00321747/step Wall: 4566.88, 0.00321747/step, 3.19691 hours remaining, 231.894531 MB of memory in use. ENERGY: 1423000 3987.7962 20580.1026 14436.4936 266.6123 -203609.4095 2438.5975 0.0000 0.0000 52046.9177 -109852.8895 299.1144 -161899.8073 -109491.6792 299.6141 27.2704 50.0729 757326.0580 2.9486 2.9236 PRESSURE: 1423200 -149.507 62.6611 -21.9032 62.6609 27.7715 6.57571 -21.9037 6.57583 50.6507 GPRESSURE: 1423200 -168.884 -74.4061 -32.7028 96.9549 29.8228 45.3165 -97.4827 71.8243 154.968 PRESSAVG: 1423200 18.5668 -25.446 -34.7938 -25.446 21.2341 21.5095 -34.7938 21.5095 -7.98577 GPRESSAVG: 1423200 17.414 -25.5301 -34.8815 -24.4535 21.3787 21.6605 -39.5795 23.9103 -6.9214 TIMING: 1423200 CPU: 4567.51, 0.00317773/step Wall: 4567.51, 0.00317773/step, 3.15725 hours remaining, 231.894531 MB of memory in use. ENERGY: 1423200 3950.1273 20556.3004 14402.4709 233.8091 -203304.0477 2348.0151 0.0000 0.0000 51975.2364 -109838.0885 298.7024 -161813.3249 -109471.4953 299.0277 -23.6950 5.3024 759310.2241 10.6051 10.6238 PRESSURE: 1423400 -182.771 86.4839 184.136 86.4835 -100.779 60.9418 184.136 60.9418 -184.153 GPRESSURE: 1423400 -124.563 123.761 119.771 71.7534 -89.9296 82.4883 153.506 86.1926 -160.049 PRESSAVG: 1423400 -51.5249 -3.18317 10.4609 -3.18322 69.3356 4.95292 10.4609 4.95294 -5.92567 GPRESSAVG: 1423400 -52.094 -2.71963 10.3706 -2.44555 69.8534 4.22986 12.9726 4.36602 -5.83722 TIMING: 1423400 CPU: 4568.15, 0.00317334/step Wall: 4568.15, 0.00317334/step, 3.15271 hours remaining, 231.894531 MB of memory in use. ENERGY: 1423400 3949.8887 20475.9195 14500.2441 257.1781 -203649.4588 2500.7047 0.0000 0.0000 51982.9435 -109982.5802 298.7467 -161965.5237 -109625.4580 299.0468 -155.9012 -124.8474 760095.8901 3.9617 3.9741 PRESSURE: 1423600 68.9853 -59.0973 145.695 -59.0983 -133.884 -39.5356 145.694 -39.5361 122.06 GPRESSURE: 1423600 140.124 26.4333 147.665 21.3581 -150.688 76.796 49.8349 -103.125 153.822 PRESSAVG: 1423600 32.3402 -5.01087 -30.7106 -5.01087 -11.5016 5.51556 -30.7106 5.51552 26.7794 GPRESSAVG: 1423600 34.2434 -6.04431 -31.3029 -5.17555 -13.3626 6.17968 -31.7915 4.04891 27.6365 TIMING: 1423600 CPU: 4568.8, 0.00323813/step Wall: 4568.8, 0.00323813/step, 3.2169 hours remaining, 231.894531 MB of memory in use. ENERGY: 1423600 3917.0459 20562.3897 14480.4517 239.4623 -203357.3556 2482.4341 0.0000 0.0000 51870.0393 -109805.5327 298.0978 -161675.5721 -109439.2226 298.7850 19.0537 47.7527 759360.9915 15.8727 16.1725 PRESSURE: 1423800 -459.374 -48.6395 104.703 -48.6396 403.65 69.475 104.703 69.4749 111.782 GPRESSURE: 1423800 -223.64 -106.373 -55.4462 -109.516 250.004 152.645 148.787 -46.403 99.8682 PRESSAVG: 1423800 -77.7428 -18.2102 53.2088 -18.2102 44.5369 66.1689 53.2088 66.1689 -13.6295 GPRESSAVG: 1423800 -78.1156 -15.8284 52.816 -21.4445 45.4999 64.1421 54.8213 66.2821 -13.9348 TIMING: 1423800 CPU: 4569.44, 0.00320691/step Wall: 4569.44, 0.00320691/step, 3.18571 hours remaining, 231.894531 MB of memory in use. ENERGY: 1423800 3967.2342 20508.2090 14432.5231 247.6576 -203534.7542 2460.8098 0.0000 0.0000 52134.2791 -109784.0415 299.6164 -161918.3206 -109424.4005 298.6957 18.6863 42.0775 761293.9040 -15.6118 -15.5168 PRESSURE: 1424000 45.7189 -167.678 24.9249 -167.679 -85.7879 146.624 24.9258 146.625 284.534 GPRESSURE: 1424000 120.599 -164.659 61.72 -89.4159 -47.9281 165.792 182.6 124.997 242.547 PRESSAVG: 1424000 -34.1972 -36.8681 48.9746 -36.8681 44.9019 42.1664 48.9746 42.1664 -1.6178 GPRESSAVG: 1424000 -34.4474 -38.0637 49.8514 -35.3451 44.9137 44.3868 48.9384 42.4924 -1.37719 TIMING: 1424000 CPU: 4570.07, 0.00317355/step Wall: 4570.07, 0.00317355/step, 3.1524 hours remaining, 231.894531 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: 1424000 4074.6091 20403.2654 14428.6928 255.0563 -203912.2624 2714.3261 0.0000 0.0000 52200.5949 -109835.7178 299.9975 -162036.3128 -109476.0468 299.0435 81.4885 105.0727 759637.5428 3.0290 3.0297 PRESSURE: 1424200 342.895 -138.665 -220.922 -138.666 283.552 -28.4896 -220.922 -28.4894 241.251 GPRESSURE: 1424200 285.952 -77.7745 -257.887 -57.968 400.783 -43.5733 -160.933 81.4755 274.649 PRESSAVG: 1424200 6.57295 -61.3412 -4.26045 -61.3412 35.7564 33.5164 -4.26043 33.5164 5.52307 GPRESSAVG: 1424200 6.23764 -61.7231 -3.97305 -60.4757 35.4734 32.8239 -3.95221 34.3352 6.2727 TIMING: 1424200 CPU: 4570.71, 0.0031829/step Wall: 4570.71, 0.0031829/step, 3.1615 hours remaining, 231.894531 MB of memory in use. ENERGY: 1424200 3994.2218 20390.8507 14447.9225 254.2079 -203626.3506 2472.8231 0.0000 0.0000 52264.5531 -109801.7715 300.3651 -162066.3246 -109430.4948 299.4200 289.2327 320.4610 760268.7812 15.9508 15.9946 LDB: ============= START OF LOAD BALANCING ============== 4583.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4583.14 LDB: =============== DONE WITH MIGRATION ================ 4583.14 LDB: ============= START OF LOAD BALANCING ============== 4583.46 LDB: Largest compute 7047 load 0.034390 is 17.6% of average load 0.195370 LDB: Average compute 0.004409 is 2.3% of average load 0.195370 LDB: TIME 4583.46 LOAD: AVG 0.19537 MAX 0.213164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4583.46 LOAD: AVG 0.19537 MAX 0.213164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.684 MB LDB: TIME 4583.46 LOAD: AVG 0.19537 MAX 0.213164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.684 MB LDB: ============== END OF LOAD BALANCING =============== 4583.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4583.47 PRESSURE: 1424400 -15.0299 -35.3319 84.846 -35.3324 -55.3827 6.24764 84.8463 6.24878 18.0663 GPRESSURE: 1424400 80.9824 11.0003 35.8832 14.6942 -64.3348 -3.00245 152.88 104.72 -5.44005 PRESSAVG: 1424400 -39.3482 -55.7403 22.277 -55.7403 58.4753 -19.9243 22.2769 -19.9244 -14.9348 GPRESSAVG: 1424400 -39.2796 -57.1964 22.9052 -54.7402 58.7418 -18.9881 22.6795 -19.3361 -15.8541 TIMING: 1424400 CPU: 4571.36, 0.00325388/step Wall: 4571.36, 0.00325388/step, 3.23183 hours remaining, 231.312500 MB of memory in use. ENERGY: 1424400 4002.5859 20680.0474 14476.9222 242.1886 -203485.7197 2514.7167 0.0000 0.0000 51787.9190 -109781.3399 297.6259 -161569.2588 -109427.6276 299.5466 -17.4488 3.7359 758871.7242 1.3974 1.2027 PRESSURE: 1424600 -299.794 -124.796 -368.979 -124.796 -247.724 94.7742 -368.98 94.7755 -381.067 GPRESSURE: 1424600 -275.722 -114.933 -394.875 -71.2003 -236.866 88.3869 -291.466 118.495 -318.867 PRESSAVG: 1424600 -23.2213 -46.5041 22.1172 -46.5041 -1.05915 -17.7794 22.1172 -17.7794 -12.22 GPRESSAVG: 1424600 -22.7472 -44.6391 20.8691 -47.5514 -2.38024 -17.9969 21.4058 -18.2338 -10.7349 TIMING: 1424600 CPU: 4571.99, 0.00315661/step Wall: 4571.99, 0.00315661/step, 3.13504 hours remaining, 231.828125 MB of memory in use. ENERGY: 1424600 4033.1160 20258.3589 14505.7110 261.7923 -203751.9466 2727.2524 0.0000 0.0000 52032.7404 -109932.9756 299.0329 -161965.7159 -109561.8762 298.9458 -309.5282 -277.1518 761934.8977 -12.1668 -11.9541 PRESSURE: 1424800 -42.6892 139.44 15.8313 139.441 336.94 -94.5323 15.8312 -94.5317 237.433 GPRESSURE: 1424800 -78.0819 120.589 -9.79707 24.9435 447.548 -114.243 -99.5998 -114.742 246.956 PRESSAVG: 1424800 -15.9731 -66.6712 -8.86189 -66.6712 27.9597 28.2229 -8.86185 28.2229 29.836 GPRESSAVG: 1424800 -16.09 -66.0376 -8.21217 -66.8484 28.6846 27.0012 -9.0083 25.812 29.6757 TIMING: 1424800 CPU: 4572.63, 0.00319243/step Wall: 4572.63, 0.00319243/step, 3.17044 hours remaining, 231.828125 MB of memory in use. ENERGY: 1424800 3954.9518 20322.4405 14484.6406 239.9079 -203648.3345 2758.0818 0.0000 0.0000 51987.0242 -109901.2877 298.7701 -161888.3120 -109542.0139 298.3020 177.2279 205.4740 760421.0255 13.9408 14.0901 PRESSURE: 1425000 31.4509 -138.795 -69.8577 -138.795 257.031 -153.991 -69.8585 -153.99 -3.78071 GPRESSURE: 1425000 111.359 -117.366 -78.5247 -132.822 197.098 -87.2072 -98.9096 -162.509 65.5311 PRESSAVG: 1425000 -12.8173 -67.716 3.28967 -67.716 13.8526 -17.9615 3.28969 -17.9615 12.357 GPRESSAVG: 1425000 -11.8206 -68.4956 2.83938 -67.5693 13.8545 -16.7417 5.16104 -15.5574 11.0613 TIMING: 1425000 CPU: 4573.27, 0.00318838/step Wall: 4573.27, 0.00318838/step, 3.16624 hours remaining, 231.828125 MB of memory in use. ENERGY: 1425000 3927.5549 20512.7622 14481.8719 237.6701 -203823.6293 2697.5370 0.0000 0.0000 52113.4037 -109852.8295 299.4964 -161966.2332 -109489.9859 298.8209 94.9005 124.6625 760261.6767 4.4641 4.3651 PRESSURE: 1425200 -173.392 -93.1159 -8.28138 -93.1165 -263.014 -55.0545 -8.28106 -55.0547 103.171 GPRESSURE: 1425200 -134.487 -12.9945 -21.7969 -135.164 -257.094 -83.3255 -99.3285 68.1878 153.796 PRESSAVG: 1425200 -1.84925 -51.5449 18.3927 -51.545 10.4742 -6.6882 18.3927 -6.68832 -9.69648 GPRESSAVG: 1425200 -2.36611 -49.8129 19.7051 -52.4792 11.6634 -8.19122 15.5856 -6.98214 -9.68367 TIMING: 1425200 CPU: 4573.9, 0.00318346/step Wall: 4573.9, 0.00318346/step, 3.16118 hours remaining, 231.914062 MB of memory in use. ENERGY: 1425200 4018.0022 20613.9259 14479.6064 261.4674 -203217.0386 2303.0453 0.0000 0.0000 52053.2352 -109487.7562 299.1507 -161540.9914 -109122.9614 299.2210 -111.0781 -79.2615 759653.5751 -0.3572 -0.1288 PRESSURE: 1425400 -507.44 201.476 -54.2366 201.477 -90.5195 -67.6512 -54.2354 -67.6498 177.029 GPRESSURE: 1425400 -435.853 112.927 -70.2365 353.955 3.97793 -15.4562 -98.8083 -160.021 106.935 PRESSAVG: 1425400 15.4389 -51.7947 -22.2266 -51.7946 -0.0346941 -42.9161 -22.2266 -42.916 16.7984 GPRESSAVG: 1425400 15.4219 -53.827 -23.533 -50.0751 -0.513583 -42.0375 -20.0975 -43.1597 17.7709 TIMING: 1425400 CPU: 4574.54, 0.00317484/step Wall: 4574.54, 0.00317484/step, 3.15244 hours remaining, 231.914062 MB of memory in use. ENERGY: 1425400 3987.2012 20551.1103 14534.4662 258.2891 -202923.7795 2223.3967 0.0000 0.0000 51985.5629 -109383.7532 298.7617 -161369.3161 -109024.7678 299.5405 -140.3104 -108.3132 759811.6177 10.7342 10.8931 PRESSURE: 1425600 168.45 -38.3306 151.726 -38.331 -1.45459 126.016 151.726 126.017 339.669 GPRESSURE: 1425600 211.032 -194.398 183.598 -136.196 44.8166 72.0648 147.022 -40.6757 339.315 PRESSAVG: 1425600 34.3078 -72.6706 14.5956 -72.6706 9.49466 -11.9931 14.5956 -11.993 13.1872 GPRESSAVG: 1425600 32.8089 -71.0517 12.6669 -72.443 10.8882 -12.4928 14.1658 -14.2506 13.2795 TIMING: 1425600 CPU: 4575.17, 0.00316156/step Wall: 4575.17, 0.00316156/step, 3.13908 hours remaining, 231.914062 MB of memory in use. ENERGY: 1425600 3932.4832 20582.4383 14525.4889 256.2889 -203508.4038 2550.0172 0.0000 0.0000 52143.3145 -109518.3728 299.6683 -161661.6873 -109159.5781 300.3779 168.8879 198.3877 759954.3616 18.9966 18.9922 PRESSURE: 1425800 -261.992 99.5808 -133.583 99.5801 -620.621 81.4182 -133.582 81.4187 -242.947 GPRESSURE: 1425800 -217.037 69.6895 -123.039 95.5647 -572.547 81.981 -98.2089 -11.6193 -251.526 PRESSAVG: 1425800 -32.6452 -33.5394 34.3851 -33.5393 52.6047 16.332 34.3851 16.3321 3.52264 GPRESSAVG: 1425800 -30.5725 -35.8595 35.3608 -34.6349 50.4854 16.44 35.0614 17.8775 3.16088 TIMING: 1425800 CPU: 4575.8, 0.0031642/step Wall: 4575.8, 0.0031642/step, 3.14152 hours remaining, 231.914062 MB of memory in use. ENERGY: 1425800 4009.7510 20604.8285 14487.7553 236.9049 -203042.2638 2165.2261 0.0000 0.0000 52236.2811 -109301.5169 300.2026 -161537.7980 -108940.5275 299.8808 -375.1868 -347.0369 761118.2476 7.8274 7.6913 PRESSURE: 1426000 -176.093 6.26938 40.6861 6.27002 -14.9785 -325.41 40.6859 -325.409 82.1577 GPRESSURE: 1426000 -94.5981 8.47142 29.206 -32.694 -24.5111 -258.96 -44.5845 -423.123 91.2916 PRESSAVG: 1426000 -6.20658 -111.168 -34.6566 -111.168 -7.76698 16.3482 -34.6566 16.3483 17.4503 GPRESSAVG: 1426000 -7.97479 -112.262 -33.7333 -109.835 -6.10955 16.6564 -36.0468 15.8383 17.0321 TIMING: 1426000 CPU: 4576.44, 0.003173/step Wall: 4576.44, 0.003173/step, 3.15008 hours remaining, 231.914062 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: 1426000 4015.8081 20734.2875 14513.9817 245.6280 -203506.2099 2647.2832 0.0000 0.0000 52166.3693 -109182.8521 299.8008 -161349.2214 -108826.8341 300.3024 -36.3046 -9.2726 759595.7464 1.1589 0.9826 PRESSURE: 1426200 -399.606 -209.251 -110.236 -209.252 -44.9475 36.8629 -110.235 36.8629 -30.1442 GPRESSURE: 1426200 -456.698 -182.162 -181.944 -125.274 51.336 -40.7055 -72.0926 -41.4263 9.25141 PRESSAVG: 1426200 -76.7749 -74.922 4.49057 -74.922 45.7188 -85.7622 4.49057 -85.7623 2.0006 GPRESSAVG: 1426200 -75.7095 -73.9712 5.09113 -74.9411 45.1157 -85.7543 4.27124 -85.4413 1.13151 TIMING: 1426200 CPU: 4577.08, 0.00319163/step Wall: 4577.08, 0.00319163/step, 3.1684 hours remaining, 231.914062 MB of memory in use. ENERGY: 1426200 3983.1553 20567.6299 14465.6886 256.0812 -202878.1694 2387.3387 0.0000 0.0000 51967.4521 -109250.8236 298.6577 -161218.2757 -108880.8564 300.0658 -158.2325 -132.0370 761282.0019 -9.6852 -9.8207 PRESSURE: 1426400 -0.452928 139.624 237.586 139.624 -387.163 -146.82 237.586 -146.821 -240.629 GPRESSURE: 1426400 -29.0094 139.137 228.52 165.477 -250.567 -121.09 155.946 -103.941 -292.377 PRESSAVG: 1426400 -37.158 -29.9442 10.1212 -29.9442 13.7595 -14.8129 10.1212 -14.8129 -5.02827 GPRESSAVG: 1426400 -37.5293 -28.9603 10.1469 -30.6264 13.7011 -14.7414 10.0802 -15.2624 -4.88859 TIMING: 1426400 CPU: 4577.71, 0.00317202/step Wall: 4577.71, 0.00317201/step, 3.14875 hours remaining, 231.914062 MB of memory in use. ENERGY: 1426400 4086.0976 20662.5089 14479.6180 244.0390 -203221.3391 2361.5633 0.0000 0.0000 52095.7955 -109291.7168 299.3953 -161387.5123 -108924.4826 299.8731 -209.4152 -190.6511 760816.1151 -9.4756 -9.5723 PRESSURE: 1426600 -41.1205 61.7319 -185.837 61.7314 52.7823 147.055 -185.837 147.055 417.089 GPRESSURE: 1426600 59.921 -10.4304 -186.274 53.4302 17.179 139.524 -164.866 264.363 434.681 PRESSAVG: 1426600 21.5314 -38.4719 -16.3078 -38.4719 -5.20819 -56.2432 -16.3078 -56.2432 -8.45635 GPRESSAVG: 1426600 21.2793 -39.7027 -17.341 -38.5339 -5.73986 -55.9738 -17.9777 -54.806 -7.54569 TIMING: 1426600 CPU: 4578.34, 0.00315912/step Wall: 4578.34, 0.00315912/step, 3.13578 hours remaining, 231.914062 MB of memory in use. ENERGY: 1426600 4043.2946 20437.8908 14488.6661 240.0313 -203281.9276 2494.0498 0.0000 0.0000 52217.0579 -109360.9370 300.0921 -161577.9950 -108993.0248 299.5336 142.9171 170.5938 759334.6464 2.6223 2.6646 PRESSURE: 1426800 -361.157 75.7011 29.7272 75.7008 -145.323 -89.0234 29.7275 -89.0232 286.803 GPRESSURE: 1426800 -356.08 67.6526 35.9294 99.4282 -66.2787 -149.931 15.2324 0.857748 276.518 PRESSAVG: 1426800 26.8689 13.5196 36.2321 13.5196 -37.1797 10.4681 36.232 10.4682 -4.71865 GPRESSAVG: 1426800 25.5745 15.9349 36.6709 13.713 -36.5362 10.007 38.1799 8.63686 -3.93968 TIMING: 1426800 CPU: 4578.99, 0.0032076/step Wall: 4578.99, 0.0032076/step, 3.18373 hours remaining, 231.914062 MB of memory in use. ENERGY: 1426800 4039.8096 20598.9640 14503.1693 230.7352 -203233.8436 2416.4508 0.0000 0.0000 51937.1023 -109507.6124 298.4832 -161444.7147 -109151.4147 299.2330 -73.2256 -48.6134 760287.7337 -5.0098 -4.9671 PRESSURE: 1427000 -208.808 100.496 -28.5419 100.497 1.70212 126.754 -28.5429 126.754 -270.439 GPRESSURE: 1427000 -154.41 32.0373 -16.6485 5.48118 48.7469 151.396 -161.273 32.8898 -281.868 PRESSAVG: 1427000 1.44076 -9.92491 18.5289 -9.92492 3.89787 -13.2034 18.529 -13.2035 -16.1548 GPRESSAVG: 1427000 2.14917 -11.9046 19.3453 -7.54915 3.99974 -13.5362 15.7777 -14.1302 -16.7731 TIMING: 1427000 CPU: 4579.63, 0.0032081/step Wall: 4579.63, 0.0032081/step, 3.18404 hours remaining, 231.914062 MB of memory in use. ENERGY: 1427000 3982.9089 20395.9827 14511.7187 236.4925 -202797.1645 2346.2312 0.0000 0.0000 51915.7018 -109408.1287 298.3603 -161323.8305 -109043.7558 298.8067 -159.1816 -129.1771 760669.4046 -3.6054 -3.5414 PRESSURE: 1427200 -102.801 -130.342 171.515 -130.342 -31.9777 78.127 171.515 78.1278 74.2306 GPRESSURE: 1427200 -17.0516 -21.8542 141.45 -178.32 10.1993 83.5911 162.721 -45.1002 38.6201 PRESSAVG: 1427200 -8.78883 -53.8879 27.3921 -53.8879 71.2283 -20.8304 27.3921 -20.8305 -12.5794 GPRESSAVG: 1427200 -9.43556 -53.157 24.5249 -56.9528 72.3493 -19.3182 30.3609 -19.1025 -12.5102 TIMING: 1427200 CPU: 4580.26, 0.00315903/step Wall: 4580.26, 0.00315903/step, 3.13516 hours remaining, 231.914062 MB of memory in use. ENERGY: 1427200 4036.2179 20586.9260 14554.9425 247.2067 -203171.4028 2380.9884 0.0000 0.0000 51795.7123 -109569.4090 297.6707 -161365.1213 -109215.7536 299.0640 -20.1828 10.5893 761049.6001 16.6200 16.8012 PRESSURE: 1427400 -268.607 -21.146 395.23 -21.1462 -131.882 38.6294 395.229 38.6289 -175.346 GPRESSURE: 1427400 -270.259 -9.9991 361.074 -2.95786 -78.8165 65.5208 194.392 106.641 -144.764 PRESSAVG: 1427400 -3.91335 -3.81143 42.1301 -3.81137 -18.2338 -25.7282 42.1301 -25.7281 -1.84705 GPRESSAVG: 1427400 -4.30205 -2.41715 44.2956 -3.50645 -17.622 -27.9869 41.1344 -25.5345 -1.78794 TIMING: 1427400 CPU: 4580.89, 0.00313838/step Wall: 4580.89, 0.00313838/step, 3.1145 hours remaining, 231.914062 MB of memory in use. ENERGY: 1427400 4008.0791 20535.5662 14482.2464 222.6694 -203580.5517 2753.4020 0.0000 0.0000 52111.5064 -109467.0820 299.4855 -161578.5885 -109101.2468 298.9965 -191.9450 -164.6133 760818.2388 -7.9981 -7.9040 PRESSURE: 1427600 180.787 87.6962 -121.633 87.6962 -37.5323 98.0551 -121.633 98.0554 -91.1617 GPRESSURE: 1427600 226.409 4.5787 -29.2108 -31.0133 -35.0429 131.912 -52.2842 23.0484 -58.9768 PRESSAVG: 1427600 -13.8065 -12.701 24.9647 -12.701 -4.28682 39.3125 24.9647 39.3125 0.724389 GPRESSAVG: 1427600 -12.3024 -12.686 24.1042 -11.8331 -4.96148 40.1456 25.7522 40.0889 -0.221472 TIMING: 1427600 CPU: 4581.52, 0.00314763/step Wall: 4581.52, 0.00314763/step, 3.1235 hours remaining, 231.914062 MB of memory in use. ENERGY: 1427600 3968.6871 20686.9757 14586.7514 254.9797 -202992.1562 2344.9357 0.0000 0.0000 51706.1969 -109443.6297 297.1562 -161149.8267 -109087.4459 299.7039 17.3642 44.1298 761547.4196 -5.7896 -5.8285 PRESSURE: 1427800 195.555 118.292 182.171 118.292 147.24 47.1777 182.17 47.178 293.43 GPRESSURE: 1427800 222.552 26.4248 140.919 72.8066 145.427 17.6434 256.708 50.3417 341.048 PRESSAVG: 1427800 40.9674 -2.05337 -27.3048 -2.0534 -26.078 -18.5955 -27.3048 -18.5954 19.9828 GPRESSAVG: 1427800 40.2213 -5.05888 -26.3572 -2.6121 -26.5883 -17.4707 -28.162 -21.646 20.5646 TIMING: 1427800 CPU: 4582.15, 0.00315126/step Wall: 4582.15, 0.00315126/step, 3.12693 hours remaining, 231.914062 MB of memory in use. ENERGY: 1427800 3928.6047 20430.5668 14567.2205 259.1879 -203873.2969 2917.4497 0.0000 0.0000 52282.3364 -109487.9309 300.4673 -161770.2674 -109121.8390 299.0642 212.0750 236.3424 761114.4054 11.6241 11.3992 PRESSURE: 1428000 29.7345 58.6251 37.2313 58.6249 -174.946 -41.9443 37.2313 -41.9449 301.839 GPRESSURE: 1428000 5.01231 41.0626 -6.2452 -27.3267 -73.3074 -55.9721 56.2808 -65.089 321.444 PRESSAVG: 1428000 37.2077 -49.2045 -15.1247 -49.2046 -43.7998 25.3083 -15.1247 25.3084 -6.63166 GPRESSAVG: 1428000 38.3534 -48.056 -14.8447 -48.9663 -45.0891 24.4905 -13.8602 27.3124 -6.59437 TIMING: 1428000 CPU: 4582.78, 0.00316159/step Wall: 4582.78, 0.00316159/step, 3.137 hours remaining, 231.914062 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: 1428000 4028.0047 20593.3689 14526.2264 276.1713 -203309.2447 2558.9374 0.0000 0.0000 51785.1664 -109541.3696 297.6101 -161326.5360 -109179.9333 299.3512 52.2092 84.3829 760579.5009 -4.4079 -4.4433 PRESSURE: 1428200 165.479 0.143753 95.1208 0.143656 -5.03366 -107.377 95.1213 -107.377 -88.2158 GPRESSURE: 1428200 105.272 6.42862 83.3212 25.878 140.555 -60.3865 -8.44407 -92.8045 -81.5382 PRESSAVG: 1428200 43.6908 27.4161 -31.3313 27.4162 53.5481 48.5881 -31.3312 48.5881 -1.46263 GPRESSAVG: 1428200 42.6452 29.2404 -34.0992 29.3561 55.0677 48.0095 -33.32 49.0771 -1.46002 TIMING: 1428200 CPU: 4583.41, 0.00317877/step Wall: 4583.41, 0.00317877/step, 3.15387 hours remaining, 231.914062 MB of memory in use. ENERGY: 1428200 4016.8634 20566.0420 14557.7958 234.0043 -203331.4905 2325.7589 0.0000 0.0000 51938.0062 -109693.0199 298.4884 -161631.0261 -109336.5626 299.3829 24.0764 54.7629 760097.9419 31.9254 32.0843 LDB: ============= START OF LOAD BALANCING ============== 4595.84 LDB: ============== END OF LOAD BALANCING =============== 4595.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4595.84 LDB: ============= START OF LOAD BALANCING ============== 4596.16 LDB: Largest compute 7071 load 0.034584 is 17.7% of average load 0.195216 LDB: Average compute 0.004422 is 2.3% of average load 0.195216 LDB: TIME 4596.16 LOAD: AVG 0.195216 MAX 0.209876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231 MB LDB: TIME 4596.16 LOAD: AVG 0.195216 MAX 0.209876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231 MB LDB: TIME 4596.16 LOAD: AVG 0.195216 MAX 0.209876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231 MB LDB: ============== END OF LOAD BALANCING =============== 4596.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4596.17 PRESSURE: 1428400 27.558 -189.094 341.515 -189.094 16.6348 196.75 341.514 196.75 47.9074 GPRESSURE: 1428400 95.1497 -107.249 367.108 -130.92 16.4633 161.997 247.434 173.74 63.4075 PRESSAVG: 1428400 -0.890872 14.0262 14.704 14.0262 -30.905 69.7397 14.704 69.7396 13.7114 GPRESSAVG: 1428400 -0.499158 14.7012 15.858 12.7349 -32.0558 69.8021 14.8971 69.7833 14.3953 TIMING: 1428400 CPU: 4584.07, 0.00325498/step Wall: 4584.07, 0.00325498/step, 3.2293 hours remaining, 230.597656 MB of memory in use. ENERGY: 1428400 3911.0186 20561.6033 14434.5777 260.9145 -203579.2089 2540.1680 0.0000 0.0000 52265.7575 -109605.1694 300.3720 -161870.9268 -109236.9398 299.0868 30.7000 58.3402 761825.7170 -6.0282 -6.0532 PRESSURE: 1428600 -89.3503 237.166 29.0479 237.166 111.884 74.3411 29.0485 74.3407 19.5631 GPRESSURE: 1428600 -48.8506 263.7 -51.0874 213.7 116.06 68.6774 -47.8497 -124.161 71.9549 PRESSAVG: 1428600 10.988 -11.4643 26.0835 -11.4644 16.3524 15.0609 26.0835 15.0609 -21.5515 GPRESSAVG: 1428600 13.2048 -11.0277 25.9304 -12.0186 15.3452 14.0042 24.8321 14.2828 -23.3588 TIMING: 1428600 CPU: 4584.7, 0.00315949/step Wall: 4584.7, 0.00315949/step, 3.13439 hours remaining, 230.800781 MB of memory in use. ENERGY: 1428600 4008.6688 20515.0942 14609.9874 257.8246 -203334.7334 2415.2473 0.0000 0.0000 51871.1415 -109656.7695 298.1042 -161527.9110 -109284.8815 299.1377 14.0321 46.3880 761476.3503 1.9296 1.7304 PRESSURE: 1428800 48.2445 -190.401 -40.5583 -190.4 -112.663 116.217 -40.5576 116.217 34.9358 GPRESSURE: 1428800 -21.8792 -149.259 33.4428 -175.192 44.7466 73.9668 118.444 81.9123 37.5192 PRESSAVG: 1428800 14.6737 -2.37814 47.9009 -2.37818 21.5524 -3.98597 47.9008 -3.986 -25.4796 GPRESSAVG: 1428800 12.6905 -1.63434 50.6936 -3.0841 23.6349 -1.92517 49.6568 -3.0408 -24.937 TIMING: 1428800 CPU: 4585.33, 0.00317395/step Wall: 4585.33, 0.00317395/step, 3.14855 hours remaining, 230.800781 MB of memory in use. ENERGY: 1428800 3959.2552 20520.7561 14503.8949 233.3680 -203310.8513 2462.1309 0.0000 0.0000 52019.7817 -109611.6644 298.9584 -161631.4461 -109250.4300 298.8835 -9.8276 20.1288 760369.2269 3.5822 3.7961 PRESSURE: 1429000 54.4583 -49.5743 98.9073 -49.5745 -205.604 -122.085 98.9077 -122.084 -166.57 GPRESSURE: 1429000 175.879 -46.8585 36.5846 -101.786 -223.385 -39.3191 154.787 -153.89 -214.304 PRESSAVG: 1429000 -28.584 13.7485 34.4124 13.7485 -6.34444 12.0421 34.4124 12.042 -6.87237 GPRESSAVG: 1429000 -28.161 12.364 32.421 15.2445 -6.98522 12.7221 35.5421 8.55186 -6.40104 TIMING: 1429000 CPU: 4585.98, 0.00321637/step Wall: 4585.98, 0.00321637/step, 3.19046 hours remaining, 230.800781 MB of memory in use. ENERGY: 1429000 4038.5488 20708.2291 14506.2861 260.4493 -203702.4018 2624.2632 0.0000 0.0000 51916.5891 -109648.0363 298.3654 -161564.6254 -109295.6912 298.9239 -105.9053 -87.2704 760484.4729 -13.9336 -13.8491 PRESSURE: 1429200 462.583 39.0352 31.8147 39.0348 121.618 -31.0657 31.815 -31.0645 -38.1404 GPRESSURE: 1429200 385.53 -90.125 51.0378 -6.75936 188.944 -47.0514 -75.1518 -98.4098 43.9734 PRESSAVG: 1429200 -10.7016 12.7532 10.4532 12.7531 11.8467 -48.6126 10.4532 -48.6126 21.4052 GPRESSAVG: 1429200 -11.4053 12.0978 11.0899 13.2609 12.2796 -48.9695 8.15864 -46.099 21.2632 TIMING: 1429200 CPU: 4586.61, 0.00317936/step Wall: 4586.61, 0.00317936/step, 3.15357 hours remaining, 230.800781 MB of memory in use. ENERGY: 1429200 3957.0752 20583.0453 14487.4600 239.4037 -203911.6791 2705.1011 0.0000 0.0000 52187.0785 -109752.5153 299.9199 -161939.5938 -109385.0414 299.1313 182.0202 206.1493 758732.7037 7.5168 7.3792 PRESSURE: 1429400 -66.6571 -7.29793 149.707 -7.29861 56.8432 107.714 149.707 107.714 -22.0002 GPRESSURE: 1429400 -19.9943 -100.76 202.091 47.0645 109.796 29.7082 303.219 153.864 -39.9577 PRESSAVG: 1429400 24.7031 -11.0375 4.83603 -11.0375 -4.15793 1.67875 4.83601 1.67869 -36.8799 GPRESSAVG: 1429400 25.2435 -9.76709 4.38729 -12.0477 -5.16817 1.71786 5.42633 3.65043 -36.4833 TIMING: 1429400 CPU: 4587.24, 0.00316465/step Wall: 4587.24, 0.00316465/step, 3.1388 hours remaining, 230.800781 MB of memory in use. ENERGY: 1429400 3922.7521 20602.4326 14522.6404 269.4665 -203150.6967 2232.9233 0.0000 0.0000 51975.9708 -109624.5109 298.7066 -161600.4817 -109262.2016 299.0720 -10.6047 16.6145 761543.8028 -5.4449 -5.4693 PRESSURE: 1429600 242.561 -319.607 1.18643 -319.606 108.864 -359.661 1.18742 -359.661 -84.4711 GPRESSURE: 1429600 277.572 -210.103 73.0872 -425.043 111.956 -270.368 36.8629 -522.647 -19.6081 PRESSAVG: 1429600 10.1194 -17.4376 15.3845 -17.4376 -44.5518 -35.5138 15.3845 -35.5138 -13.0848 GPRESSAVG: 1429600 9.82904 -16.8406 14.0863 -18.2892 -44.0102 -35.0397 14.8714 -36.8678 -13.4083 TIMING: 1429600 CPU: 4587.88, 0.00318329/step Wall: 4587.88, 0.00318329/step, 3.15712 hours remaining, 230.800781 MB of memory in use. ENERGY: 1429600 3910.0258 20577.3470 14583.6331 257.8269 -203525.0042 2584.5237 0.0000 0.0000 51959.2785 -109652.3692 298.6107 -161611.6477 -109285.3821 298.5323 88.9847 123.3067 759646.3520 -15.8390 -15.8631 PRESSURE: 1429800 -297.055 -142.562 -142.711 -142.562 -179.638 42.3829 -142.712 42.3846 -27.9378 GPRESSURE: 1429800 -279.322 -191.929 -226.408 -162.904 -199.983 -35.3661 -145.26 2.45582 83.6763 PRESSAVG: 1429800 -20.2255 -48.37 1.73105 -48.37 33.0787 -59.5723 1.73098 -59.5722 -27.1623 GPRESSAVG: 1429800 -20.0048 -50.3512 2.01988 -46.1719 31.7587 -61.4122 3.14409 -60.3142 -26.2259 TIMING: 1429800 CPU: 4588.52, 0.00318312/step Wall: 4588.52, 0.00318312/step, 3.15677 hours remaining, 230.800781 MB of memory in use. ENERGY: 1429800 3956.9490 20453.1630 14519.6819 241.3428 -203347.5702 2456.0150 0.0000 0.0000 51918.6343 -109801.7841 298.3771 -161720.4185 -109442.4670 298.5176 -168.2106 -131.8762 760594.2323 -4.7697 -4.8240 PRESSURE: 1430000 -170.22 -50.1756 95.1888 -50.1766 -84.3794 -331.458 95.1895 -331.457 231.583 GPRESSURE: 1430000 -114.157 81.7684 124.809 -32.1589 -51.1526 -203.822 37.9514 -197.903 224.023 PRESSAVG: 1430000 21.0877 -52.3071 26.5595 -52.3071 -46.1197 -32.5114 26.5595 -32.5114 -5.04108 GPRESSAVG: 1430000 21.4135 -52.5084 26.3385 -53.4795 -46.4931 -31.7016 27.3728 -31.6427 -4.58347 TIMING: 1430000 CPU: 4589.15, 0.00316457/step Wall: 4589.15, 0.00316457/step, 3.1382 hours remaining, 230.800781 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: 1430000 3932.2762 20496.7701 14478.1430 228.6155 -203779.2129 2691.1056 0.0000 0.0000 52001.2662 -109951.0363 298.8520 -161952.3025 -109585.9219 298.5381 -7.6721 19.5710 761273.9888 -10.0244 -9.8877 PRESSURE: 1430200 -80.3235 22.0785 -100.942 22.0785 -36.5802 112.899 -100.941 112.899 -6.3108 GPRESSURE: 1430200 -58.0167 1.70739 -39.9667 46.3365 -54.2913 91.5599 26.507 124.249 63.0816 PRESSAVG: 1430200 -25.8728 -42.9122 -16.5216 -42.9121 10.9151 2.07151 -16.5215 2.07152 9.36845 GPRESSAVG: 1430200 -26.176 -42.371 -16.9451 -45.001 12.4066 3.35241 -18.0811 1.61059 7.80733 TIMING: 1430200 CPU: 4589.79, 0.00320207/step Wall: 4589.79, 0.00320207/step, 3.17521 hours remaining, 230.800781 MB of memory in use. ENERGY: 1430200 3976.1661 20516.4107 14558.8230 251.3749 -203824.7899 2679.0062 0.0000 0.0000 52044.2213 -109798.7877 299.0989 -161843.0090 -109446.7063 298.6992 -41.0715 -16.4088 760555.5601 -1.8631 -1.9874 PRESSURE: 1430400 -80.0765 -58.6312 291.192 -58.6297 119.787 43.7845 291.192 43.7846 75.4101 GPRESSURE: 1430400 -53.3091 49.0122 304.599 20.8128 152.518 69.6445 174.359 10.9295 120.189 PRESSAVG: 1430400 -4.95848 -40.895 64.0533 -40.895 16.4096 -24.7913 64.0533 -24.7914 5.69421 GPRESSAVG: 1430400 -4.66529 -39.2892 66.2614 -38.5029 16.2457 -25.0911 62.727 -25.9016 6.00394 TIMING: 1430400 CPU: 4590.43, 0.00318137/step Wall: 4590.43, 0.00318137/step, 3.1545 hours remaining, 230.800781 MB of memory in use. ENERGY: 1430400 4010.6100 20467.3051 14504.6266 220.4380 -203562.9236 2494.1108 0.0000 0.0000 52100.3751 -109765.4581 299.4216 -161865.8332 -109404.3687 299.0014 38.3735 73.1328 756810.5466 5.7151 5.8615 PRESSURE: 1430600 23.7646 -319.623 162.225 -319.624 330.544 153.37 162.225 153.368 242.351 GPRESSURE: 1430600 74.4138 -286.67 239.288 -199.294 331.72 142.976 209.886 83.7339 295.021 PRESSAVG: 1430600 -29.5446 -64.1267 28.0191 -64.1268 -1.56645 -27.9764 28.0191 -27.9764 -7.8943 GPRESSAVG: 1430600 -28.3515 -63.8102 25.8304 -64.7257 -1.915 -30.1031 29.4963 -25.2519 -8.46894 TIMING: 1430600 CPU: 4591.06, 0.00317005/step Wall: 4591.06, 0.00317005/step, 3.14311 hours remaining, 230.800781 MB of memory in use. ENERGY: 1430600 3980.7890 20464.1880 14437.1317 253.9308 -204071.8694 2996.4127 0.0000 0.0000 52183.8316 -109755.5856 299.9012 -161939.4172 -109404.3546 299.0986 198.8864 233.7183 758794.1962 -13.0018 -12.9118 PRESSURE: 1430800 304.033 -222.052 143.309 -222.052 322.3 -55.8131 143.308 -55.8126 382.474 GPRESSURE: 1430800 351.288 -169.409 65.5872 -160.805 461.274 -56.5411 151.715 -122.057 295.203 PRESSAVG: 1430800 6.99263 -45.005 -15.5764 -45.005 -24.5796 -11.6575 -15.5764 -11.6575 -19.234 GPRESSAVG: 1430800 7.61047 -47.3117 -14.8519 -46.4328 -25.2501 -10.1343 -15.2493 -12.9282 -19.2946 TIMING: 1430800 CPU: 4591.69, 0.00315314/step Wall: 4591.69, 0.00315314/step, 3.12616 hours remaining, 230.800781 MB of memory in use. ENERGY: 1430800 3937.9354 20533.6461 14500.8354 225.3125 -203708.3605 2881.1888 0.0000 0.0000 52070.4952 -109558.9471 299.2499 -161629.4423 -109204.8246 299.1379 336.2689 369.2549 759599.9171 -12.2737 -12.3114 PRESSURE: 1431000 113.397 172.39 -147.031 172.39 -119.2 -147.92 -147.032 -147.921 -338.687 GPRESSURE: 1431000 84.2814 167.855 -115.148 205.737 -128.051 -213.582 -79.2526 -159.517 -204.995 PRESSAVG: 1431000 43.5914 -31.6091 -20.1871 -31.609 -56.7359 -10.7448 -20.1872 -10.7448 29.4335 GPRESSAVG: 1431000 41.3459 -30.0479 -20.6187 -30.5644 -55.0794 -10.3786 -19.5337 -13.2694 29.7274 TIMING: 1431000 CPU: 4592.33, 0.00316776/step Wall: 4592.33, 0.00316776/step, 3.14048 hours remaining, 230.800781 MB of memory in use. ENERGY: 1431000 3978.9860 20610.8921 14537.2390 264.3480 -203267.2179 2354.7135 0.0000 0.0000 51815.7921 -109705.2472 297.7861 -161521.0393 -109344.0997 299.5863 -114.8301 -82.9217 759703.1367 5.4297 5.3313 PRESSURE: 1431200 266.128 -82.6933 69.6695 -82.6934 124.309 -234.6 69.6693 -234.6 136.421 GPRESSURE: 1431200 332.87 -71.6789 105.262 -61.1271 154.749 -178.451 -57.9904 -121.689 151.841 PRESSAVG: 1431200 30.4413 -11.4696 -37.3422 -11.4696 -30.8436 -49.4925 -37.3421 -49.4925 -18.8681 GPRESSAVG: 1431200 31.9406 -13.7474 -34.6933 -11.4593 -32.1586 -49.6595 -39.562 -46.7356 -18.7488 TIMING: 1431200 CPU: 4592.96, 0.00314923/step Wall: 4592.96, 0.00314923/step, 3.12193 hours remaining, 230.800781 MB of memory in use. ENERGY: 1431200 4033.9081 20524.0653 14551.1247 251.3026 -203690.0795 2598.2223 0.0000 0.0000 52107.1552 -109624.3014 299.4605 -161731.4566 -109259.9540 299.3295 175.6191 213.1530 760445.7405 -6.4235 -6.3222 PRESSURE: 1431400 -148.578 -170.206 -44.8388 -170.206 -117.438 81.9754 -44.8395 81.9753 -491.006 GPRESSURE: 1431400 -109.885 -117.968 -54.8659 -243.053 -102.225 149.654 -188.115 47.3311 -461.709 PRESSAVG: 1431400 -21.421 -1.97479 5.79866 -1.97474 41.1526 6.42957 5.79862 6.4295 -8.85873 GPRESSAVG: 1431400 -22.5881 0.886732 1.76539 -3.61238 40.99 6.32394 7.11187 5.02167 -7.59553 TIMING: 1431400 CPU: 4593.59, 0.00315604/step Wall: 4593.59, 0.00315604/step, 3.12851 hours remaining, 230.800781 MB of memory in use. ENERGY: 1431400 4005.0458 20517.3405 14594.8807 261.9689 -203646.1464 2443.5613 0.0000 0.0000 52264.4936 -109558.8556 300.3648 -161823.3492 -109190.7037 299.4066 -252.3409 -224.6062 759348.0364 3.6243 3.6021 PRESSURE: 1431600 -34.5656 -115.557 104.273 -115.557 -92.0753 -90.0024 104.272 -90.0028 -271.414 GPRESSURE: 1431600 -42.1178 -58.4437 163.557 -47.0325 -15.3555 -175.91 148.45 48.3074 -262.986 PRESSAVG: 1431600 37.1878 -1.18061 -40.0363 -1.1807 -30.2703 3.5834 -40.0364 3.58338 18.864 GPRESSAVG: 1431600 36.755 -1.23403 -36.1559 0.0991094 -29.4614 2.51127 -39.523 5.09473 18.1351 TIMING: 1431600 CPU: 4594.22, 0.0031628/step Wall: 4594.22, 0.0031628/step, 3.13503 hours remaining, 230.800781 MB of memory in use. ENERGY: 1431600 4053.5357 20367.3660 14570.1219 237.2413 -203412.0076 2442.1241 0.0000 0.0000 51921.3725 -109820.2461 298.3928 -161741.6186 -109458.3921 299.2507 -132.6849 -106.8199 759957.8735 8.5939 8.4762 PRESSURE: 1431800 24.6988 38.9941 -35.0812 38.9947 333.799 -28.1336 -35.0817 -28.1343 -135.221 GPRESSURE: 1431800 110.404 66.9039 -44.1037 -59.5791 280.665 15.7614 -176.071 57.086 -61.1854 PRESSAVG: 1431800 13.1091 -6.48355 -38.2489 -6.48357 -41.0127 -9.11802 -38.2489 -9.11803 5.75809 GPRESSAVG: 1431800 13.425 -10.5476 -40.7098 -5.04813 -41.4349 -7.98708 -38.5105 -8.60495 6.11446 TIMING: 1431800 CPU: 4594.85, 0.00315383/step Wall: 4594.85, 0.00315383/step, 3.12597 hours remaining, 230.800781 MB of memory in use. ENERGY: 1431800 3952.6610 20423.3672 14528.2963 239.6659 -203723.1313 2613.3377 0.0000 0.0000 52281.1912 -109684.6119 300.4607 -161965.8031 -109318.0184 298.8748 74.4256 109.9611 759536.8559 -7.3818 -7.2985 PRESSURE: 1432000 -189.742 -40.9186 16.038 -40.9183 -92.4399 -138.445 16.0385 -138.446 378.521 GPRESSURE: 1432000 -110.315 -25.3407 25.4354 -92.421 -64.1104 -96.9287 73.4199 -177.024 360.814 PRESSAVG: 1432000 66.0086 41.8925 -57.1969 41.8925 -69.8222 -10.3387 -57.1969 -10.3388 23.9967 GPRESSAVG: 1432000 66.8524 42.6815 -55.3294 40.3617 -71.3949 -8.6527 -57.5225 -11.106 23.9623 TIMING: 1432000 CPU: 4595.48, 0.00315886/step Wall: 4595.48, 0.00315886/step, 3.13079 hours remaining, 230.800781 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: 1432000 3898.2803 20446.5760 14529.5336 241.0098 -203637.0510 2608.7787 0.0000 0.0000 51900.1357 -110012.7369 298.2708 -161912.8726 -109651.2062 298.6632 32.1131 62.1294 759599.6928 6.7277 6.4733 PRESSURE: 1432200 -221.146 -22.306 -9.85073 -22.3067 -384.051 239.673 -9.85078 239.673 -165.428 GPRESSURE: 1432200 -124.903 -36.5614 -56.8134 128.563 -350.964 240.896 -132.473 59.5986 -200.553 PRESSAVG: 1432200 18.2674 -46.4756 -49.4999 -46.4757 11.1851 -23.0954 -49.5 -23.0954 -18.514 GPRESSAVG: 1432200 17.8534 -45.4412 -51.1124 -45.1482 13.1358 -26.2526 -49.9547 -24.2791 -20.2224 TIMING: 1432200 CPU: 4596.12, 0.00317527/step Wall: 4596.12, 0.00317527/step, 3.14687 hours remaining, 230.800781 MB of memory in use. ENERGY: 1432200 3902.0919 20483.7046 14511.5335 239.9936 -203781.9638 2619.7882 0.0000 0.0000 51778.4394 -110246.4125 297.5714 -162024.8519 -109889.8202 298.0826 -256.8749 -225.4734 759788.8926 3.6462 3.5889 LDB: ============= START OF LOAD BALANCING ============== 4608.54 LDB: ============== END OF LOAD BALANCING =============== 4608.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.54 LDB: ============= START OF LOAD BALANCING ============== 4608.86 LDB: Largest compute 7074 load 0.036643 is 18.8% of average load 0.195356 LDB: Average compute 0.004429 is 2.3% of average load 0.195356 LDB: TIME 4608.86 LOAD: AVG 0.195356 MAX 0.210369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.926 MB LDB: TIME 4608.86 LOAD: AVG 0.195356 MAX 0.210369 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.926 MB LDB: TIME 4608.86 LOAD: AVG 0.195356 MAX 0.210369 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.926 MB LDB: ============== END OF LOAD BALANCING =============== 4608.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.87 PRESSURE: 1432400 -232.75 127.679 -19.3444 127.678 81.3122 75.7858 -19.3444 75.7872 -182.971 GPRESSURE: 1432400 -193.645 203.674 86.4455 123.702 33.4494 59.5107 21.496 70.6449 -99.6385 PRESSAVG: 1432400 6.36482 27.2681 -11.0076 27.2681 -7.32714 -47.2783 -11.0075 -47.2784 10.3332 GPRESSAVG: 1432400 6.98403 26.0507 -10.4357 26.7212 -9.27447 -46.7933 -8.86582 -45.6538 11.4807 TIMING: 1432400 CPU: 4596.76, 0.00321933/step Wall: 4596.76, 0.00321933/step, 3.19036 hours remaining, 231.570312 MB of memory in use. ENERGY: 1432400 3980.0753 20473.2410 14521.3300 270.7029 -203429.0856 2216.9299 0.0000 0.0000 52029.2106 -109937.5960 299.0126 -161966.8066 -109567.7310 298.0596 -111.4694 -86.6114 759288.6701 3.1236 3.0634 PRESSURE: 1432600 224.327 127.286 35.5348 127.286 -28.9351 -57.575 35.5349 -57.5757 -229.072 GPRESSURE: 1432600 239.772 76.4663 29.3245 176.014 -9.25854 -71.9275 18.9598 -46.069 -185.593 PRESSAVG: 1432600 36.1215 56.6894 44.2186 56.6894 -39.651 -22.6638 44.2186 -22.6638 1.51431 GPRESSAVG: 1432600 36.1117 57.7498 43.6291 57.4012 -38.9948 -22.6316 43.576 -23.6859 1.3814 TIMING: 1432600 CPU: 4597.39, 0.00312879/step Wall: 4597.39, 0.00312879/step, 3.10046 hours remaining, 231.570312 MB of memory in use. ENERGY: 1432600 3862.6067 20621.0032 14552.7839 252.2480 -203643.5747 2521.9296 0.0000 0.0000 51742.4997 -110090.5035 297.3649 -161833.0033 -109736.6775 298.3582 -11.2267 14.9737 759624.8736 -0.6718 -0.5006 PRESSURE: 1432800 78.5105 27.3335 -66.0679 27.333 -86.0201 -38.4193 -66.0679 -38.4195 -181.598 GPRESSURE: 1432800 86.5238 47.8584 88.384 -29.5043 -12.5217 -125.957 -94.9684 -208.073 -167.669 PRESSAVG: 1432800 57.7055 -14.1573 26.4502 -14.1574 -55.1685 -46.2023 26.4502 -46.2023 -7.75613 GPRESSAVG: 1432800 57.3167 -13.404 28.8991 -14.2519 -55.3001 -45.9675 25.3309 -47.5398 -7.52362 TIMING: 1432800 CPU: 4598.01, 0.00311805/step Wall: 4598.01, 0.00311805/step, 3.08964 hours remaining, 231.660156 MB of memory in use. ENERGY: 1432800 3893.2637 20535.6263 14574.9327 256.4862 -203635.0407 2446.7556 0.0000 0.0000 51859.2322 -110068.7441 298.0357 -161927.9763 -109699.8490 298.2496 -63.0358 -31.2224 758920.6927 -1.7397 -1.8357 PRESSURE: 1433000 28.4551 -134.378 40.9703 -134.377 -403.878 -153.439 40.9705 -153.439 -326.466 GPRESSURE: 1433000 12.5022 -114.369 29.0492 -22.2901 -303.286 -100.082 98.5438 -140.08 -325.825 PRESSAVG: 1433000 25.0132 0.840326 67.495 0.840272 17.7827 -26.5535 67.4951 -26.5533 29.951 GPRESSAVG: 1433000 24.7808 1.24753 64.4145 1.2732 19.4375 -27.6767 68.9708 -22.8184 28.8197 TIMING: 1433000 CPU: 4598.64, 0.00315514/step Wall: 4598.64, 0.00315514/step, 3.12622 hours remaining, 231.660156 MB of memory in use. ENERGY: 1433000 3979.9725 20459.4286 14430.2835 247.2492 -203679.4775 2571.1454 0.0000 0.0000 51939.4467 -110051.9516 298.4967 -161991.3983 -109692.4112 298.7701 -233.9632 -205.5362 759724.0413 24.2490 24.3460 PRESSURE: 1433200 289.097 -13.2392 17.8125 -13.2382 224.189 114.934 17.8137 114.933 71.4038 GPRESSURE: 1433200 341.694 -59.242 48.9634 65.1345 349.405 1.73541 64.0171 152.97 -12.2345 PRESSAVG: 1433200 -60.6637 -15.8963 66.79 -15.8963 48.5151 -48.1052 66.79 -48.1051 -15.3718 GPRESSAVG: 1433200 -59.6241 -16.4829 66.5826 -18.0419 47.6761 -47.9206 65.4643 -50.6471 -15.4673 TIMING: 1433200 CPU: 4599.27, 0.00312262/step Wall: 4599.27, 0.00312262/step, 3.09382 hours remaining, 231.660156 MB of memory in use. ENERGY: 1433200 3909.4266 20334.8009 14495.5058 244.9722 -203660.2299 2844.6896 0.0000 0.0000 51828.8602 -110001.9747 297.8612 -161830.8349 -109639.9260 297.9410 194.8966 226.2881 760782.1836 -9.1735 -9.1384 PRESSURE: 1433400 -106.408 81.7904 -152.433 81.79 -163.972 93.7681 -152.432 93.7683 -150.097 GPRESSURE: 1433400 -37.5699 36.902 -190.289 150.289 -103.997 77.7187 -154.854 194.218 -175.523 PRESSAVG: 1433400 -56.7576 -7.82554 59.8413 -7.82551 40.6064 -11.3776 59.8413 -11.3776 17.4894 GPRESSAVG: 1433400 -58.1199 -9.98761 62.4495 -5.45131 40.2509 -10.6649 58.8893 -11.2886 19.0433 TIMING: 1433400 CPU: 4599.89, 0.00313428/step Wall: 4599.89, 0.00313428/step, 3.1052 hours remaining, 231.898438 MB of memory in use. ENERGY: 1433400 3983.6176 20470.3815 14521.7682 253.0290 -203352.1324 2258.0644 0.0000 0.0000 52008.8389 -109856.4328 298.8955 -161865.2717 -109494.2280 298.2540 -140.1592 -105.6968 760892.3877 0.4461 0.3914 PRESSURE: 1433600 107.651 -257.653 -48.3139 -257.653 161.914 -11.3403 -48.3135 -11.3408 37.2089 GPRESSURE: 1433600 40.9269 -206.482 -60.5259 -365.383 310.385 -93.8315 -15.4555 65.9937 50.769 PRESSAVG: 1433600 -103.181 -22.9667 54.6976 -22.9666 64.2359 -12.2367 54.6976 -12.2367 -13.4449 GPRESSAVG: 1433600 -104.527 -19.3656 52.9988 -24.5046 65.5142 -11.7797 56.3129 -11.5476 -14.4878 TIMING: 1433600 CPU: 4600.52, 0.00311526/step Wall: 4600.52, 0.00311526/step, 3.08618 hours remaining, 231.898438 MB of memory in use. ENERGY: 1433600 4015.4738 20590.6491 14555.7352 254.0253 -203613.7407 2524.6805 0.0000 0.0000 51848.3060 -109824.8708 297.9729 -161673.1768 -109470.1944 298.9214 102.2582 134.0269 759930.3233 -17.4634 -17.8335 PRESSURE: 1433800 204.827 80.5595 174.674 80.5598 -30.1764 -170.385 174.674 -170.385 -192.678 GPRESSURE: 1433800 205.811 84.6574 127.008 -24.9787 -22.1949 -308.882 40.8942 -155.71 -121.563 PRESSAVG: 1433800 -38.6535 -68.9535 -4.21162 -68.9535 14.4894 35.8548 -4.2116 35.8548 -22.7124 GPRESSAVG: 1433800 -37.5375 -69.2909 -2.51346 -69.0879 12.9385 35.5592 -6.60791 35.6144 -22.0692 TIMING: 1433800 CPU: 4601.14, 0.00312093/step Wall: 4601.14, 0.00312093/step, 3.09163 hours remaining, 231.898438 MB of memory in use. ENERGY: 1433800 3965.2355 20514.5707 14499.1600 244.9547 -203391.2467 2365.6880 0.0000 0.0000 51964.4807 -109837.1571 298.6406 -161801.6378 -109477.6700 299.0370 -6.0093 20.6841 758939.7058 -15.6255 -15.5561 PRESSURE: 1434000 -197.756 -104.025 -83.2552 -104.025 243.273 34.8455 -83.2553 34.847 -96.8353 GPRESSURE: 1434000 -143.563 -93.4435 -80.6668 -110.057 288.593 202.761 49.3679 -110.981 -105.057 PRESSAVG: 1434000 -4.90378 -54.7078 66.103 -54.7078 2.79539 -1.1967 66.103 -1.19663 -2.61982 GPRESSAVG: 1434000 -5.38395 -54.9879 65.7453 -55.9848 3.54795 -0.605869 67.1854 -2.28948 -2.91855 TIMING: 1434000 CPU: 4601.77, 0.00313514/step Wall: 4601.77, 0.00313514/step, 3.10553 hours remaining, 231.898438 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: 1434000 3999.7093 20519.7358 14517.7277 252.8753 -203726.3076 2604.9109 0.0000 0.0000 51904.1107 -109927.2378 298.2936 -161831.3486 -109568.9813 298.5790 -17.1061 13.3246 758039.2124 -1.5761 -1.5848 PRESSURE: 1434200 -44.8235 -198.251 -247.358 -198.252 -25.4629 -214.904 -247.358 -214.905 6.51524 GPRESSURE: 1434200 40.0411 -89.2118 -274.973 -152.549 4.74364 -260.977 -153.328 -293.328 -11.7728 PRESSAVG: 1434200 43.8745 -83.3376 84.5527 -83.3376 -11.4642 -2.45379 84.5527 -2.45375 14.8132 GPRESSAVG: 1434200 44.1886 -84.3903 85.5739 -82.0664 -10.9576 -2.54764 85.1202 -2.0771 14.3987 TIMING: 1434200 CPU: 4602.4, 0.00314695/step Wall: 4602.4, 0.00314695/step, 3.11706 hours remaining, 231.898438 MB of memory in use. ENERGY: 1434200 3958.2251 20558.9249 14462.7504 263.7075 -203523.0780 2540.9905 0.0000 0.0000 52055.0932 -109683.3863 299.1613 -161738.4795 -109316.5987 299.0396 -21.2571 11.0040 759977.8432 15.7411 15.8766 PRESSURE: 1434400 -267.028 -211.779 96.6789 -211.779 -176.687 -126.228 96.6788 -126.227 -301.689 GPRESSURE: 1434400 -150.793 -250.94 165.584 -221.365 -184.542 -175.769 -9.4555 -76.3123 -307.044 PRESSAVG: 1434400 -0.560712 -41.7781 11.7763 -41.7781 1.08578 -19.6091 11.7764 -19.6092 -18.9028 GPRESSAVG: 1434400 -0.98933 -41.5607 12.1716 -43.8626 0.686096 -21.3542 10.6424 -18.8783 -18.1885 TIMING: 1434400 CPU: 4603.03, 0.0031907/step Wall: 4603.03, 0.0031907/step, 3.16021 hours remaining, 231.898438 MB of memory in use. ENERGY: 1434400 4012.0416 20352.3130 14527.2605 263.6160 -203321.7547 2282.3148 0.0000 0.0000 52012.7801 -109871.4288 298.9182 -161884.2088 -109510.2163 299.2517 -248.4678 -214.1262 760502.8251 -6.1259 -6.1639 PRESSURE: 1434600 -215.175 142.949 89.1686 142.949 84.7784 -44.7141 89.1689 -44.7144 -68.293 GPRESSURE: 1434600 -120.602 13.2468 66.3787 144.442 19.162 -96.9454 138.406 -103.822 -15.8863 PRESSAVG: 1434600 15.5131 -4.77847 32.4798 -4.77844 -4.77177 16.0287 32.4797 16.0287 -10.6951 GPRESSAVG: 1434600 16.5601 -4.37723 28.2887 -4.04469 -5.65036 17.3193 33.9874 16.067 -11.1502 TIMING: 1434600 CPU: 4603.67, 0.00316165/step Wall: 4603.67, 0.00316165/step, 3.13126 hours remaining, 231.898438 MB of memory in use. ENERGY: 1434600 3926.4305 20460.4192 14490.5264 251.7942 -203367.9148 2310.9287 0.0000 0.0000 51948.8940 -109978.9219 298.5510 -161927.8159 -109617.0052 298.0411 -66.2299 -39.1087 759951.6117 0.0154 -0.0801 PRESSURE: 1434800 -242.296 -36.2141 9.1732 -36.2132 -260.287 -127.453 9.17339 -127.453 -181.233 GPRESSURE: 1434800 -160.766 16.1014 66.7489 -65.4793 -273.195 -59.007 101.699 -245.326 -175.498 PRESSAVG: 1434800 -20.7112 21.8169 -12.0347 21.8169 -32.5515 -28.0898 -12.0347 -28.0898 -11.6982 GPRESSAVG: 1434800 -22.3274 21.6447 -8.8212 20.3843 -32.0195 -28.6627 -13.3169 -25.9373 -10.9401 TIMING: 1434800 CPU: 4604.3, 0.00317884/step Wall: 4604.3, 0.00317884/step, 3.14811 hours remaining, 231.898438 MB of memory in use. ENERGY: 1434800 3994.4049 20446.5453 14522.7828 247.4906 -203566.2372 2480.4624 0.0000 0.0000 52038.6704 -109835.8808 299.0670 -161874.5511 -109465.0911 298.6660 -227.9387 -203.1531 761206.1035 -21.6536 -21.7623 PRESSURE: 1435000 314.428 -12.1643 16.0852 -12.1639 168.18 -87.1224 16.0864 -87.1225 -257.836 GPRESSURE: 1435000 414.752 -14.3852 38.6786 -91.8745 119.07 -96.562 26.7014 -127.975 -210.9 PRESSAVG: 1435000 -8.71444 -71.9058 14.6427 -71.9058 -17.2159 -32.2092 14.6427 -32.2092 4.54518 GPRESSAVG: 1435000 -8.56851 -72.5984 14.0637 -70.2906 -16.2316 -32.214 15.5952 -35.5813 2.88556 TIMING: 1435000 CPU: 4604.94, 0.00316784/step Wall: 4604.94, 0.00316784/step, 3.13704 hours remaining, 231.898438 MB of memory in use. ENERGY: 1435000 3843.6168 20677.7267 14610.9486 255.2861 -203777.3296 2707.4179 0.0000 0.0000 51732.4157 -109949.9179 297.3069 -161682.3336 -109597.9967 298.4469 74.9241 107.6405 759987.1829 -7.1284 -7.3049 PRESSURE: 1435200 -29.584 9.25271 -34.0812 9.25251 132.217 80.526 -34.0803 80.526 -458.473 GPRESSURE: 1435200 -62.598 41.4108 -43.3857 -35.2589 138.116 -2.66264 -29.03 135.953 -323.959 PRESSAVG: 1435200 28.9561 -39.1533 6.01354 -39.1534 -51.2033 -37.7582 6.01356 -37.7582 4.525 GPRESSAVG: 1435200 28.5304 -39.4177 6.16585 -38.4193 -51.4324 -38.3657 4.49851 -36.2481 5.61955 TIMING: 1435200 CPU: 4605.57, 0.00314684/step Wall: 4605.57, 0.00314684/step, 3.11607 hours remaining, 231.898438 MB of memory in use. ENERGY: 1435200 4051.0299 20612.6308 14449.7192 256.3153 -203409.6635 2314.6412 0.0000 0.0000 51780.3282 -109944.9989 297.5823 -161725.3271 -109598.2610 298.5423 -118.6132 -82.8136 759611.9244 -5.9074 -5.7608 PRESSURE: 1435400 -93.1633 -117.644 -108.183 -117.644 -10.0759 226.413 -108.183 226.413 -323.805 GPRESSURE: 1435400 -148.403 -94.4659 -103.135 -177.214 59.7055 62.6107 -145.375 62.5837 -270.979 PRESSAVG: 1435400 -11.0822 -0.631142 66.4531 -0.631133 12.8257 29.942 66.4531 29.9421 9.58535 GPRESSAVG: 1435400 -10.7086 -0.0965241 66.3653 -1.24066 12.1162 30.7018 66.1188 28.6605 9.74592 TIMING: 1435400 CPU: 4606.2, 0.00316075/step Wall: 4606.2, 0.00316075/step, 3.12967 hours remaining, 231.898438 MB of memory in use. ENERGY: 1435400 4054.3916 20627.4899 14432.4158 250.6247 -203567.9495 2508.1220 0.0000 0.0000 51647.7101 -110047.1954 296.8201 -161694.9055 -109692.8495 298.4097 -142.3480 -119.8921 759422.3236 3.7763 3.7179 PRESSURE: 1435600 16.6571 -164.548 230.698 -164.547 -189.403 -134.342 230.697 -134.342 -384.008 GPRESSURE: 1435600 63.1641 -268.602 120.129 -220.039 -218.643 -106.242 293.134 -89.7486 -312.96 PRESSAVG: 1435600 -33.9903 -37.2963 29.6274 -37.2963 26.7834 14.6366 29.6274 14.6366 -23.7309 GPRESSAVG: 1435600 -34.7916 -38.9068 27.8587 -37.7156 28.139 13.7784 31.2833 14.9929 -23.9122 TIMING: 1435600 CPU: 4606.83, 0.00315509/step Wall: 4606.83, 0.00315509/step, 3.12389 hours remaining, 231.898438 MB of memory in use. ENERGY: 1435600 3921.8858 20626.7372 14439.2793 233.6796 -203738.5455 2590.1762 0.0000 0.0000 51703.5868 -110223.2005 297.1412 -161926.7873 -109868.2028 298.1398 -185.5848 -156.1464 759191.0798 -10.3126 -10.1883 PRESSURE: 1435800 81.9571 -126.975 103.581 -126.975 -40.1236 -155.616 103.581 -155.616 496.268 GPRESSURE: 1435800 231.746 -104.5 138.842 -143.498 48.3553 -137.936 -45.7664 -88.7906 360.822 PRESSAVG: 1435800 14.2476 -10.6613 51.7691 -10.6613 11.7472 0.700902 51.7692 0.700913 -5.23762 GPRESSAVG: 1435800 16.0517 -8.97354 52.9025 -9.74338 11.0481 1.66958 52.8181 2.37655 -5.96183 TIMING: 1435800 CPU: 4607.46, 0.00316647/step Wall: 4607.46, 0.00316647/step, 3.13499 hours remaining, 231.898438 MB of memory in use. ENERGY: 1435800 3961.9527 20470.8643 14421.3548 253.6944 -203949.5075 2660.8129 0.0000 0.0000 52008.9734 -110171.8550 298.8963 -162180.8284 -109815.5361 298.2836 179.3671 213.6410 758085.8543 6.9191 7.0460 PRESSURE: 1436000 54.5854 -125.647 135.925 -125.647 -151.505 -110.643 135.926 -110.643 -284.611 GPRESSURE: 1436000 109.786 -52.5545 116.225 -48.2102 -165.738 -98.5232 96.6684 -92.386 -252.179 PRESSAVG: 1436000 67.0313 -43.3442 67.6456 -43.3442 -63.5186 8.20768 67.6457 8.20763 14.7037 GPRESSAVG: 1436000 66.8669 -42.9641 66.5539 -44.0071 -64.1074 6.91857 65.609 9.20769 15.2536 TIMING: 1436000 CPU: 4608.09, 0.00316139/step Wall: 4608.09, 0.00316139/step, 3.12978 hours remaining, 231.898438 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: 1436000 3930.9979 20286.0939 14556.1828 245.3151 -203504.8419 2318.2793 0.0000 0.0000 51994.2602 -110173.7127 298.8117 -162167.9729 -109797.2123 298.2323 -127.1768 -102.7102 759327.5166 6.0721 6.0044 PRESSURE: 1436200 -251.887 -38.5359 292.439 -38.5357 -350.383 -117.201 292.437 -117.201 -268.678 GPRESSURE: 1436200 -238.079 -73.8978 313.551 28.7172 -305.396 -91.9039 279.958 -74.1606 -235.294 PRESSAVG: 1436200 59.1623 -26.2119 26.2041 -26.2119 -43.8303 -4.47629 26.204 -4.47639 -13.8584 GPRESSAVG: 1436200 59.4285 -26.8862 27.9109 -26.9683 -44.1552 -2.67449 27.6179 -6.51168 -13.4699 TIMING: 1436200 CPU: 4608.72, 0.0031443/step Wall: 4608.72, 0.0031443/step, 3.11268 hours remaining, 231.898438 MB of memory in use. ENERGY: 1436200 3939.0398 20592.3557 14483.2687 255.3909 -203426.9879 2080.5927 0.0000 0.0000 51734.4888 -110341.8513 297.3188 -162076.3400 -109986.7942 297.8424 -290.3162 -259.5898 760637.4539 0.4912 0.6011 LDB: ============= START OF LOAD BALANCING ============== 4621.14 LDB: ============== END OF LOAD BALANCING =============== 4621.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4621.14 LDB: ============= START OF LOAD BALANCING ============== 4621.46 LDB: Largest compute 7074 load 0.034644 is 17.7% of average load 0.195207 LDB: Average compute 0.004424 is 2.3% of average load 0.195207 LDB: TIME 4621.46 LOAD: AVG 0.195207 MAX 0.210772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.59 MB LDB: TIME 4621.46 LOAD: AVG 0.195207 MAX 0.210772 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: TIME 4621.46 LOAD: AVG 0.195207 MAX 0.210772 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: ============== END OF LOAD BALANCING =============== 4621.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4621.47 PRESSURE: 1436400 -204.371 -114.397 -56.322 -114.397 -307.69 81.0596 -56.3226 81.0594 256.214 GPRESSURE: 1436400 -215.805 -84.4136 -40.1952 -38.0708 -239.362 -39.3259 -69.5889 211.895 299.267 PRESSAVG: 1436400 15.9801 -35.9528 5.01026 -35.9528 5.82662 -55.9863 5.01024 -55.9862 -11.8023 GPRESSAVG: 1436400 15.5265 -38.7644 5.31413 -34.6266 6.2583 -57.0164 5.7086 -52.8948 -11.4687 TIMING: 1436400 CPU: 4609.36, 0.0032029/step Wall: 4609.36, 0.0032029/step, 3.17052 hours remaining, 231.082031 MB of memory in use. ENERGY: 1436400 4044.9828 20442.8172 14473.5436 251.6627 -203798.0801 2672.7486 0.0000 0.0000 51583.9271 -110328.3981 296.4535 -161912.3252 -109982.4472 297.8880 -85.2822 -51.9667 759980.4895 3.3348 3.4387 PRESSURE: 1436600 -479.322 -41.3903 65.2714 -41.3909 -217.399 -19.3808 65.2711 -19.3799 -288.933 GPRESSURE: 1436600 -366.703 -52.4354 54.8431 59.9871 -248.23 -32.2123 -15.9457 -149.638 -270.556 PRESSAVG: 1436600 -2.27122 -1.32539 30.833 -1.32534 31.2575 -14.1899 30.833 -14.1898 8.11231 GPRESSAVG: 1436600 -1.7316 0.255498 30.4813 -2.02282 31.6743 -14.0818 29.3248 -17.2609 6.60453 TIMING: 1436600 CPU: 4609.99, 0.00313808/step Wall: 4609.99, 0.00313808/step, 3.10618 hours remaining, 231.082031 MB of memory in use. ENERGY: 1436600 3991.5896 20603.3810 14410.7363 228.0815 -203300.6557 1938.6933 0.0000 0.0000 51910.5960 -110217.5781 298.3309 -162128.1741 -109858.6569 297.8987 -328.5512 -295.1627 759688.5934 12.3662 12.1824 PRESSURE: 1436800 -70.6442 60.0183 60.3215 60.0182 -10.4824 -141.732 60.3213 -141.732 -26.8275 GPRESSURE: 1436800 -48.0457 149.489 -52.0505 87.5361 76.7283 -154.707 7.29638 -169.81 -34.3451 PRESSAVG: 1436800 26.6144 -27.5538 -2.30116 -27.5539 -0.954212 17.6277 -2.3011 17.6276 -10.429 GPRESSAVG: 1436800 25.7283 -28.1638 -3.8085 -26.6852 -1.34148 17.1159 -3.33013 17.2011 -9.31762 TIMING: 1436800 CPU: 4610.62, 0.00313833/step Wall: 4610.62, 0.00313833/step, 3.10625 hours remaining, 231.082031 MB of memory in use. ENERGY: 1436800 3945.7128 20467.9958 14477.5418 272.8988 -204049.6913 2832.8090 0.0000 0.0000 51893.7654 -110158.9678 298.2342 -162052.7332 -109804.1439 297.9562 -35.9847 -1.8875 759469.7814 5.0771 5.0231 PRESSURE: 1437000 273.558 -34.8261 -47.7999 -34.8266 -72.0583 -286.599 -47.8009 -286.598 -104.624 GPRESSURE: 1437000 247.2 -6.50379 -140.706 -41.5719 1.61929 -312.393 52.3192 6.87914 -58.2147 PRESSAVG: 1437000 21.9074 -11.4057 -5.79539 -11.4058 -28.5552 -23.7737 -5.79541 -23.7736 2.78048 GPRESSAVG: 1437000 22.3463 -9.77111 -5.42632 -13.2881 -28.5517 -22.7713 -3.44252 -22.9562 2.60965 TIMING: 1437000 CPU: 4611.25, 0.00315167/step Wall: 4611.25, 0.00315167/step, 3.11928 hours remaining, 231.082031 MB of memory in use. ENERGY: 1437000 3990.1729 20453.5752 14416.8782 238.9045 -203447.1833 2508.1448 0.0000 0.0000 51617.6039 -110221.9037 296.6471 -161839.5077 -109868.0152 298.0599 32.2917 63.5348 758650.4964 -1.2891 -1.1986 PRESSURE: 1437200 -164.244 -200.308 -55.2303 -200.308 -108.848 85.9203 -55.2304 85.9194 201.741 GPRESSURE: 1437200 -149.195 -329.674 -5.20418 -223.3 -73.5023 123.512 -86.163 25.833 246.284 PRESSAVG: 1437200 11.9131 -19.6924 21.7835 -19.6924 9.06459 -1.78121 21.7836 -1.78126 -2.92472 GPRESSAVG: 1437200 10.4701 -21.807 22.5739 -19.3201 8.95347 -1.47009 19.3691 -0.569637 -2.00608 TIMING: 1437200 CPU: 4611.88, 0.00315097/step Wall: 4611.88, 0.00315097/step, 3.11841 hours remaining, 231.082031 MB of memory in use. ENERGY: 1437200 3994.9752 20548.4733 14465.1040 231.6805 -203428.6091 2352.2352 0.0000 0.0000 51710.6241 -110125.5168 297.1817 -161836.1409 -109767.7001 297.9828 -23.7834 7.8623 759762.6657 6.0176 5.8058 PRESSURE: 1437400 178.448 -120.955 -94.8271 -120.955 237.325 173.383 -94.8279 173.381 233.036 GPRESSURE: 1437400 164.74 -114.568 -204.893 -169.942 300.032 100.602 -138.016 206.263 272.967 PRESSAVG: 1437400 -28.8995 -0.766986 -1.46061 -0.767039 71.2403 36.0667 -1.46058 36.0667 -16.9672 GPRESSAVG: 1437400 -29.2766 -0.29028 -0.794387 -0.525335 71.2357 35.1656 -1.59039 33.1609 -16.901 TIMING: 1437400 CPU: 4612.52, 0.00320151/step Wall: 4612.52, 0.00320151/step, 3.16825 hours remaining, 231.082031 MB of memory in use. ENERGY: 1437400 3950.9122 20529.7820 14514.4302 265.3849 -203454.8050 2377.8195 0.0000 0.0000 52005.9439 -109810.5324 298.8789 -161816.4763 -109448.2042 298.3040 216.2698 245.9129 759439.7133 8.4578 8.3527 PRESSURE: 1437600 263.53 150.864 75.232 150.865 285.733 -183.26 75.2315 -183.259 48.65 GPRESSURE: 1437600 263.227 119.442 124.706 -34.86 302.703 -228.088 55.7948 -64.9874 107.874 PRESSAVG: 1437600 -16.9857 -8.75008 -5.4918 -8.75005 36.4198 -12.8652 -5.49181 -12.8651 30.1572 GPRESSAVG: 1437600 -16.6462 -8.85565 -7.12582 -10.0576 36.9985 -11.5677 -3.74307 -9.06704 28.67 TIMING: 1437600 CPU: 4613.15, 0.00313025/step Wall: 4613.15, 0.00313025/step, 3.09756 hours remaining, 231.082031 MB of memory in use. ENERGY: 1437600 3950.8015 20519.5760 14494.2375 249.5853 -203363.0230 2463.8259 0.0000 0.0000 52015.2155 -109669.7813 298.9322 -161684.9967 -109304.0141 298.7192 199.3043 224.6015 759011.0584 16.5304 16.3408 PRESSURE: 1437800 -286.442 -86.154 23.686 -86.1546 -276.194 114.84 23.6862 114.841 154.621 GPRESSURE: 1437800 -220.786 -149.306 41.5337 -134.638 -230.742 181.105 50.9978 15.7662 139.28 PRESSAVG: 1437800 -7.84631 -42.3609 39.1182 -42.3609 25.4309 -0.457646 39.1182 -0.457677 0.907684 GPRESSAVG: 1437800 -7.56706 -43.1633 40.2913 -41.5241 25.8469 -2.82981 37.3928 -0.471142 0.351833 TIMING: 1437800 CPU: 4613.78, 0.0031484/step Wall: 4613.78, 0.0031484/step, 3.11534 hours remaining, 231.082031 MB of memory in use. ENERGY: 1437800 4028.4894 20364.0470 14495.4896 239.8823 -202971.6828 2332.9871 0.0000 0.0000 51982.0877 -109528.6996 298.7418 -161510.7873 -109164.6817 299.2582 -136.0050 -104.0826 761363.9772 6.1641 6.2105 PRESSURE: 1438000 -365.755 49.2774 117.044 49.2775 -115.771 246.884 117.043 246.884 337.744 GPRESSURE: 1438000 -326.06 12.5934 104.624 -67.8713 -9.19303 262.583 -26.8365 105.102 271.08 PRESSAVG: 1438000 -21.7841 -72.2328 35.2738 -72.2328 19.1489 15.1111 35.2738 15.1111 10.951 GPRESSAVG: 1438000 -22.9108 -69.0211 34.0664 -72.7855 18.8064 17.1015 36.8723 13.0198 12.5242 TIMING: 1438000 CPU: 4614.4, 0.00311806/step Wall: 4614.4, 0.00311805/step, 3.08514 hours remaining, 231.082031 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: 1438000 3931.7576 20358.6978 14453.0451 243.3430 -203020.1850 2199.3507 0.0000 0.0000 52250.3876 -109583.6032 300.2837 -161833.9908 -109224.0515 299.3883 -47.9276 -21.3912 760179.1035 2.7719 2.8066 PRESSURE: 1438200 182.857 -64.837 -160.793 -64.8364 -352.107 200.111 -160.792 200.111 -173.263 GPRESSURE: 1438200 190.717 -83.3283 -119.925 41.7926 -297.3 163.048 -141.832 78.1798 -132.585 PRESSAVG: 1438200 -5.2 -4.80931 52.2877 -4.80933 17.1965 25.5343 52.2877 25.5343 10.1705 GPRESSAVG: 1438200 -3.18597 -7.82113 52.4542 -3.90466 15.8932 24.3802 52.2796 27.5689 9.59095 TIMING: 1438200 CPU: 4615.03, 0.00315942/step Wall: 4615.03, 0.00315942/step, 3.1259 hours remaining, 231.082031 MB of memory in use. ENERGY: 1438200 3928.7918 20431.9540 14480.3374 248.5309 -203029.8726 2370.2388 0.0000 0.0000 52109.6341 -109460.3855 299.4748 -161570.0197 -109102.5535 299.7241 -114.1710 -79.7228 760327.5463 7.3890 7.4327 PRESSURE: 1438400 80.3217 23.1987 -62.3438 23.1982 -139.155 -132.623 -62.3434 -132.622 311.905 GPRESSURE: 1438400 133.82 -30.8404 -18.7746 29.7904 -109.002 -256.715 -74.5699 -44.3113 328.499 PRESSAVG: 1438400 -0.652999 -35.6178 19.0814 -35.6178 -18.9058 56.9899 19.0815 56.9898 12.4274 GPRESSAVG: 1438400 -1.11435 -34.0987 19.1087 -34.7739 -18.8452 59.1073 20.3618 54.4746 12.8423 TIMING: 1438400 CPU: 4615.66, 0.00315209/step Wall: 4615.66, 0.00315209/step, 3.11847 hours remaining, 231.082031 MB of memory in use. ENERGY: 1438400 3991.1012 20441.6546 14540.3306 249.0332 -203261.6090 2336.9166 0.0000 0.0000 52135.2853 -109567.2875 299.6222 -161702.5728 -109209.1465 298.8487 84.3571 117.7723 760822.9582 -2.3771 -2.3724 PRESSURE: 1438600 -91.4749 -108.637 120.083 -108.637 -62.5508 59.627 120.083 59.6269 -195.217 GPRESSURE: 1438600 -82.0166 -143.396 99.6154 -132.464 -14.4389 114.698 196.232 78.5222 -165.783 PRESSAVG: 1438600 -9.06407 -0.92917 47.4876 -0.929155 -0.139024 2.08649 47.4877 2.08641 -12.4401 GPRESSAVG: 1438600 -10.934 -1.57694 47.4278 -2.06803 0.559466 1.13623 45.209 4.1403 -11.3312 TIMING: 1438600 CPU: 4616.29, 0.00314713/step Wall: 4616.29, 0.00314713/step, 3.11339 hours remaining, 231.082031 MB of memory in use. ENERGY: 1438600 3961.9347 20549.1954 14544.3899 233.9335 -203297.6840 2409.1818 0.0000 0.0000 51976.3371 -109622.7116 298.7087 -161599.0487 -109265.9088 299.2453 -116.4142 -87.4130 761107.8569 -7.2144 -7.2352 PRESSURE: 1438800 154.203 29.3705 37.541 29.3702 -159.325 82.9264 37.5412 82.9257 40.6148 GPRESSURE: 1438800 141.401 -72.8737 45.8689 -114.626 -101.867 121.058 36.861 -137.783 74.9271 PRESSAVG: 1438800 -18.7411 8.86649 -6.9288 8.86656 45.6087 -32.3854 -6.92877 -32.3854 1.31436 GPRESSAVG: 1438800 -17.9215 7.82305 -6.53909 8.82243 46.1656 -31.5748 -6.9355 -35.3916 0.243165 TIMING: 1438800 CPU: 4616.92, 0.00315191/step Wall: 4616.92, 0.00315191/step, 3.11794 hours remaining, 231.082031 MB of memory in use. ENERGY: 1438800 3994.6136 20607.5336 14468.8876 240.5114 -203320.8370 2550.2025 0.0000 0.0000 51979.5328 -109479.5554 298.7271 -161459.0882 -109127.7694 299.1238 11.8309 38.1535 760903.9187 9.3940 9.4957 PRESSURE: 1439000 352.586 -179.644 -84.2917 -179.644 -29.8108 -87.3452 -84.2906 -87.3447 -25.0871 GPRESSURE: 1439000 297.382 -222.456 -132.25 -74.2207 31.5088 -85.2384 42.8696 -164.341 37.4267 PRESSAVG: 1439000 44.6163 -30.3406 22.0034 -30.3406 -49.2313 -7.35678 22.0035 -7.35677 15.7684 GPRESSAVG: 1439000 44.5454 -29.343 20.3268 -30.9308 -49.4681 -7.60874 22.7667 -8.14165 15.7676 TIMING: 1439000 CPU: 4617.55, 0.00314841/step Wall: 4617.55, 0.00314841/step, 3.1143 hours remaining, 231.082031 MB of memory in use. ENERGY: 1439000 4023.7746 20449.8424 14439.4369 244.5552 -202963.8736 2436.7236 0.0000 0.0000 52032.3220 -109337.2189 299.0305 -161369.5409 -108977.6202 299.2473 99.2293 122.1060 761298.9623 3.7178 3.6150 PRESSURE: 1439200 -416.691 83.6254 247.669 83.6253 -86.5363 -105.059 247.669 -105.06 -407.214 GPRESSURE: 1439200 -322.655 -72.6525 159.203 -9.37611 -106.016 -110.058 220.418 -186.183 -401.964 PRESSAVG: 1439200 -57.2455 -3.31867 0.68426 -3.3187 47.9401 -39.1986 0.684203 -39.1986 0.298999 GPRESSAVG: 1439200 -56.2202 -3.06291 1.52538 -5.68161 49.0969 -39.522 0.799614 -37.3474 -1.60252 TIMING: 1439200 CPU: 4618.18, 0.003126/step Wall: 4618.18, 0.003126/step, 3.09196 hours remaining, 231.082031 MB of memory in use. ENERGY: 1439200 3971.6469 20502.8870 14482.1817 261.2912 -203430.2239 2479.9780 0.0000 0.0000 52237.6647 -109494.5744 300.2106 -161732.2390 -109137.5437 298.9859 -303.4802 -276.8782 761098.8822 -3.0021 -2.9086 PRESSURE: 1439400 132.703 -20.213 63.2822 -20.2124 56.719 54.148 63.2823 54.1473 -101.657 GPRESSURE: 1439400 204.316 -23.3047 77.0462 -29.7586 65.2213 -6.43827 61.9943 68.9465 -90.5668 PRESSAVG: 1439400 -11.4181 -68.5748 24.9 -68.5748 30.6371 -6.58653 24.9 -6.58654 -22.2734 GPRESSAVG: 1439400 -11.0198 -68.8409 24.4429 -65.9377 29.4349 -7.03161 24.3199 -6.98675 -21.2308 TIMING: 1439400 CPU: 4618.81, 0.00314929/step Wall: 4618.81, 0.00314929/step, 3.11482 hours remaining, 231.082031 MB of memory in use. ENERGY: 1439400 3983.3101 20495.3040 14494.9811 242.9599 -203123.8247 2300.3282 0.0000 0.0000 52135.1898 -109471.7517 299.6217 -161606.9414 -109114.3548 299.3457 29.2551 59.6569 759742.2653 -1.0181 -0.9385 PRESSURE: 1439600 290.47 87.56 133.529 87.5597 375.132 -165.373 133.529 -165.373 449.902 GPRESSURE: 1439600 347.188 117.457 188.972 283.233 360.927 -104.823 27.9114 -147.957 481.504 PRESSAVG: 1439600 -10.9966 -16.8612 17.1508 -16.8613 38.9425 -5.2111 17.1507 -5.21111 -3.26606 GPRESSAVG: 1439600 -11.3509 -14.6557 18.1965 -16.1268 39.5101 -4.47003 17.7561 -3.5571 -3.95144 TIMING: 1439600 CPU: 4619.44, 0.00316768/step Wall: 4619.44, 0.00316768/step, 3.13283 hours remaining, 231.082031 MB of memory in use. ENERGY: 1439600 3943.5132 20481.1351 14569.7445 265.5769 -203564.5260 2678.7357 0.0000 0.0000 51963.5065 -109662.3140 298.6350 -161625.8206 -109302.1105 299.2206 371.8347 396.5396 759186.3460 8.2266 8.0692 PRESSURE: 1439800 -123.069 -31.3042 38.9892 -31.3042 45.8697 89.2042 38.9889 89.2042 -172.353 GPRESSURE: 1439800 -92.1211 31.3108 49.3673 -108.089 121.11 -10.6898 56.2498 155.05 -177.545 PRESSAVG: 1439800 -33.5226 -27.9941 -25.6622 -27.9941 11.4878 -30.6249 -25.6622 -30.6249 -7.16123 GPRESSAVG: 1439800 -33.9577 -29.9656 -24.6583 -28.7505 10.6995 -31.6325 -27.8399 -29.9273 -5.94462 TIMING: 1439800 CPU: 4620.07, 0.00314792/step Wall: 4620.07, 0.00314792/step, 3.11312 hours remaining, 231.082031 MB of memory in use. ENERGY: 1439800 3946.8257 20514.8504 14496.1270 242.3443 -203686.4400 2775.7011 0.0000 0.0000 52062.6699 -109647.9217 299.2049 -161710.5915 -109287.5034 299.1274 -83.1840 -49.5187 760578.6329 -9.7320 -9.7343 PRESSURE: 1440000 -67.6242 120.683 -19.1485 120.683 150.681 238.882 -19.1476 238.882 233.192 GPRESSURE: 1440000 -0.790014 48.5168 -21.1721 32.6305 118.234 245.717 194.646 256.811 293.585 PRESSAVG: 1440000 -6.99995 -22.6355 79.5638 -22.6355 30.2003 3.42799 79.5638 3.42797 -9.74929 GPRESSAVG: 1440000 -7.44247 -23.5164 78.5343 -23.2976 31.0205 2.23856 81.5255 4.24674 -9.69716 TIMING: 1440000 CPU: 4620.7, 0.00314446/step Wall: 4620.7, 0.00314446/step, 3.10952 hours remaining, 231.082031 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: 1440000 4040.9251 20563.9187 14429.4169 258.3443 -203341.6829 2557.9051 0.0000 0.0000 51932.7649 -109558.4078 298.4583 -161491.1727 -109198.3604 299.2572 105.4162 137.0097 759470.4723 4.4837 4.6269 PRESSURE: 1440200 351.645 -12.7255 235.321 -12.7261 -118.677 42.8764 235.32 42.8768 181.407 GPRESSURE: 1440200 289.076 -127.949 172.518 -12.4168 3.65257 50.3524 205.98 -74.9016 187.302 PRESSAVG: 1440200 27.2997 -3.46857 -2.25062 -3.4685 -6.10158 -27.3498 -2.25059 -27.3499 -27.8358 GPRESSAVG: 1440200 27.4062 -4.07159 -2.86373 -2.86833 -5.44201 -25.7893 -0.950046 -31.5226 -29.1212 TIMING: 1440200 CPU: 4621.33, 0.00317652/step Wall: 4621.33, 0.00317652/step, 3.14105 hours remaining, 231.082031 MB of memory in use. ENERGY: 1440200 3933.9272 20462.1327 14495.3044 244.7341 -203193.3735 2321.1989 0.0000 0.0000 51974.4141 -109761.6620 298.6977 -161736.0761 -109401.3503 298.6581 138.1249 160.0102 760464.1353 -2.2126 -2.3857 LDB: ============= START OF LOAD BALANCING ============== 4633.75 LDB: ============== END OF LOAD BALANCING =============== 4633.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4633.76 LDB: ============= START OF LOAD BALANCING ============== 4634.08 LDB: Largest compute 7073 load 0.036238 is 18.6% of average load 0.195259 LDB: Average compute 0.004422 is 2.3% of average load 0.195259 LDB: TIME 4634.08 LOAD: AVG 0.195259 MAX 0.211666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.891 MB LDB: TIME 4634.08 LOAD: AVG 0.195259 MAX 0.211666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.004 MB LDB: TIME 4634.08 LOAD: AVG 0.195259 MAX 0.211666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.004 MB LDB: ============== END OF LOAD BALANCING =============== 4634.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4634.09 PRESSURE: 1440400 57.2805 -17.335 -88.2323 -17.3339 146.916 26.6783 -88.231 26.6783 -148.109 GPRESSURE: 1440400 134.66 -66.0178 -147.827 -5.46131 146.315 -85.0484 64.876 63.8816 -154.434 PRESSAVG: 1440400 -17.1883 -54.8123 4.99069 -54.8123 5.89855 -5.00642 4.99075 -5.00641 -11.0231 GPRESSAVG: 1440400 -16.832 -53.3918 4.73515 -57.1219 4.5708 -6.55125 5.05829 -2.92545 -9.67466 TIMING: 1440400 CPU: 4621.98, 0.00323715/step Wall: 4621.98, 0.00323715/step, 3.20082 hours remaining, 229.777344 MB of memory in use. ENERGY: 1440400 4042.7999 20427.1940 14498.1443 242.6670 -203098.0278 2364.1354 0.0000 0.0000 51697.0453 -109826.0419 297.1036 -161523.0872 -109476.5085 298.2110 18.6958 42.1802 759999.4177 -7.4376 -7.3119 PRESSURE: 1440600 261.941 -202.109 41.2605 -202.109 262.554 82.4936 41.2596 82.4929 -198.725 GPRESSURE: 1440600 252.02 -155.017 29.6815 -269.009 236.155 93.2614 7.3389 142.058 -90.8818 PRESSAVG: 1440600 9.57352 -44.0811 3.43734 -44.0812 8.83043 3.06191 3.43731 3.06193 13.6962 GPRESSAVG: 1440600 10.7199 -43.2162 4.14538 -42.699 8.11769 3.84021 0.477791 2.03178 13.4296 TIMING: 1440600 CPU: 4622.61, 0.00317136/step Wall: 4622.61, 0.00317136/step, 3.13559 hours remaining, 229.777344 MB of memory in use. ENERGY: 1440600 3973.9585 20448.5215 14488.2945 255.4670 -203516.4001 2385.3661 0.0000 0.0000 51980.1608 -109984.6318 298.7307 -161964.7926 -109622.9832 298.2316 108.5899 132.4308 760604.1806 10.7000 10.7557 PRESSURE: 1440800 12.6566 -17.6516 174.109 -17.6524 -64.0425 -85.7627 174.108 -85.7627 -81.7464 GPRESSURE: 1440800 -50.8335 20.8274 143.403 -40.5857 58.3937 -102.411 248.115 76.7588 -68.4315 PRESSAVG: 1440800 -24.2141 -23.7731 52.7049 -23.7731 29.8725 -40.038 52.7048 -40.0379 -18.7261 GPRESSAVG: 1440800 -24.8869 -26.8583 53.1339 -22.0547 30.4687 -40.4586 53.1318 -39.1377 -19.0239 TIMING: 1440800 CPU: 4623.25, 0.00315822/step Wall: 4623.25, 0.00315822/step, 3.12242 hours remaining, 229.777344 MB of memory in use. ENERGY: 1440800 4000.0558 20324.5294 14462.9182 231.0241 -203627.4077 2649.1603 0.0000 0.0000 51966.9839 -109992.7360 298.6550 -161959.7199 -109632.2950 297.7447 -44.3774 -20.2904 761117.2559 -4.3559 -4.4807 PRESSURE: 1441000 -135.746 -101.58 187.359 -101.581 137.524 75.9935 187.359 75.9931 122.175 GPRESSURE: 1441000 -47.1573 40.2825 249.754 -152.795 198.84 -18.2751 165.173 97.1736 53.2903 PRESSAVG: 1441000 -28.7986 25.1158 34.2257 25.1159 11.1159 -17.5877 34.2256 -17.5878 21.5582 GPRESSAVG: 1441000 -28.6832 29.8393 34.184 24.0109 10.4842 -18.608 35.4411 -17.7303 22.071 TIMING: 1441000 CPU: 4623.88, 0.00316423/step Wall: 4623.88, 0.00316423/step, 3.12819 hours remaining, 229.777344 MB of memory in use. ENERGY: 1441000 3965.2494 20292.8728 14445.9292 238.4112 -203407.5372 2585.8316 0.0000 0.0000 51858.3041 -110020.9390 298.0304 -161879.2431 -109659.8297 297.7543 41.3174 68.3245 760087.1586 1.2918 1.2907 PRESSURE: 1441200 -253.416 143.289 23.9193 143.29 322.491 7.03071 23.9186 7.03052 -403.376 GPRESSURE: 1441200 -193.086 29.933 43.9367 -22.207 295.481 -46.5901 43.0723 -51.1268 -343.204 PRESSAVG: 1441200 -88.194 -36.316 48.7196 -36.316 57.876 11.3929 48.7196 11.3929 -17.0623 GPRESSAVG: 1441200 -89.0871 -39.2986 48.8247 -37.4003 59.3398 14.2134 48.6528 12.1397 -17.6266 TIMING: 1441200 CPU: 4624.51, 0.00315028/step Wall: 4624.51, 0.00315028/step, 3.11423 hours remaining, 229.777344 MB of memory in use. ENERGY: 1441200 3944.1805 20410.0061 14412.6199 228.5483 -203123.3164 2131.8107 0.0000 0.0000 51927.3100 -110068.8409 298.4270 -161996.1509 -109710.7801 297.6900 -111.4336 -80.2697 760178.3341 -15.7934 -15.7913 PRESSURE: 1441400 1.1753 -37.5548 149.331 -37.5557 -189.425 118.444 149.331 118.444 -356.141 GPRESSURE: 1441400 13.6054 -120.277 184.428 -33.0795 -123.331 188.826 54.4317 41.5134 -313.313 PRESSAVG: 1441400 -43.1659 -36.7482 42.1383 -36.7482 42.0704 -21.2126 42.1382 -21.2126 -7.42481 GPRESSAVG: 1441400 -42.5718 -36.7669 42.1235 -35.5719 41.3288 -24.1819 42.0427 -20.6942 -7.26885 TIMING: 1441400 CPU: 4625.14, 0.00313669/step Wall: 4625.14, 0.00313669/step, 3.10061 hours remaining, 229.777344 MB of memory in use. ENERGY: 1441400 4020.1033 20377.0288 14435.2400 259.2727 -203173.8746 2357.4370 0.0000 0.0000 51804.3735 -109920.4193 297.7204 -161724.7928 -109553.5130 297.9320 -181.4634 -141.0129 760362.0730 -2.8401 -2.8373 PRESSURE: 1441600 -177.397 -255.136 -247.742 -255.135 277.069 -0.165492 -247.742 -0.165819 -226.049 GPRESSURE: 1441600 -163.086 -225.417 -226.394 -204.368 329.603 -44.387 -200.042 -105.628 -218.614 PRESSAVG: 1441600 -97.6172 -29.2992 18.4584 -29.2993 28.9619 30.1887 18.4584 30.1886 -4.98206 GPRESSAVG: 1441600 -99.9915 -27.9326 17.5032 -30.1393 30.7799 30.4139 18.1248 28.9252 -4.17066 TIMING: 1441600 CPU: 4625.77, 0.00317371/step Wall: 4625.77, 0.00317371/step, 3.13704 hours remaining, 229.777344 MB of memory in use. ENERGY: 1441600 3968.9042 20357.2639 14441.4925 240.6986 -203309.9310 2506.6612 0.0000 0.0000 52032.9041 -109762.0064 299.0338 -161794.9105 -109400.7923 298.6372 -42.1253 -17.3654 761006.5037 -24.5458 -24.4607 PRESSURE: 1441800 -146.459 100.377 -249.44 100.376 -5.57089 116.013 -249.44 116.012 19.4376 GPRESSURE: 1441800 -170.089 131.178 -206.921 118.79 43.9969 121.945 -213.8 66.2047 79.2582 PRESSAVG: 1441800 -45.2161 -50.0714 -13.5605 -50.0714 43.9438 -27.9435 -13.5605 -27.9434 -29.424 GPRESSAVG: 1441800 -43.3596 -49.9203 -12.5097 -48.3385 42.765 -27.3568 -13.1824 -29.0599 -29.6062 TIMING: 1441800 CPU: 4626.41, 0.00317935/step Wall: 4626.41, 0.00317935/step, 3.14244 hours remaining, 229.777344 MB of memory in use. ENERGY: 1441800 3890.0970 20439.1290 14468.0156 269.4069 -203182.7625 2477.6389 0.0000 0.0000 52090.8351 -109547.6400 299.3667 -161638.4751 -109187.6477 298.9658 -44.1975 -15.6112 760161.8809 -10.2321 -10.0669 PRESSURE: 1442000 -70.324 -84.24 -262.977 -84.2402 -257.253 70.9582 -262.977 70.9586 -84.0345 GPRESSURE: 1442000 -104.174 -94.8726 -252.311 -116.21 -214.325 -57.8102 -311.298 149.589 -7.36188 PRESSAVG: 1442000 -55.3493 -32.3527 -19.1792 -32.3527 92.8192 -5.30672 -19.1793 -5.30673 11.3323 GPRESSAVG: 1442000 -55.2209 -34.1751 -20.4269 -34.2977 92.6987 -6.6911 -20.2402 -3.06581 11.048 TIMING: 1442000 CPU: 4627.05, 0.00319321/step Wall: 4627.05, 0.00319321/step, 3.15595 hours remaining, 229.777344 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: 1442000 3931.6883 20411.3564 14503.1739 249.6265 -202846.5786 2332.2119 0.0000 0.0000 51799.9847 -109618.5369 297.6952 -161418.5216 -109257.4471 298.8620 -137.2040 -108.6202 759523.1737 16.2674 16.1753 PRESSURE: 1442200 39.2643 174.076 148.284 174.076 -156.411 -116.635 148.283 -116.637 -260.71 GPRESSURE: 1442200 16.3715 146.51 168.463 237.784 -115.378 -154.267 156.831 -120.388 -208.391 PRESSAVG: 1442200 -54.2131 -40.2031 -36.3451 -40.2032 22.586 -48.109 -36.345 -48.1091 -6.80456 GPRESSAVG: 1442200 -54.1555 -38.8124 -35.4174 -39.664 22.3156 -47.7253 -37.9451 -48.582 -7.01206 TIMING: 1442200 CPU: 4627.68, 0.00317866/step Wall: 4627.68, 0.00317866/step, 3.1414 hours remaining, 229.777344 MB of memory in use. ENERGY: 1442200 3964.3553 20393.5007 14498.0596 268.6804 -202720.4185 2378.2922 0.0000 0.0000 51714.1583 -109503.3721 297.2020 -161217.5303 -109154.4129 298.4510 -125.9525 -102.4657 761767.3208 -12.8106 -12.9506 PRESSURE: 1442400 -335.344 -193.673 -78.4063 -193.672 -282.45 -178.969 -78.4072 -178.969 -115.458 GPRESSURE: 1442400 -301.162 -70.999 -60.9966 -142.358 -187.943 -192.783 45.4722 -142.864 -146.535 PRESSAVG: 1442400 -75.6597 -21.6095 -12.4669 -21.6094 65.5963 -19.7522 -12.4669 -19.7521 -5.22904 GPRESSAVG: 1442400 -76.0014 -19.9875 -12.056 -21.1826 65.3411 -18.2854 -8.75297 -21.6377 -4.99887 TIMING: 1442400 CPU: 4628.32, 0.00317607/step Wall: 4628.32, 0.00317607/step, 3.13866 hours remaining, 229.777344 MB of memory in use. ENERGY: 1442400 3987.4554 20384.4246 14492.3591 249.8716 -202537.2411 1845.7145 0.0000 0.0000 52119.1406 -109458.2753 299.5294 -161577.4159 -109091.3646 298.7295 -244.4174 -211.8800 760993.2532 -5.0975 -5.2197 PRESSURE: 1442600 25.349 -55.5925 51.8655 -55.593 52.0592 231.716 51.865 231.715 -187.212 GPRESSURE: 1442600 208.244 -10.2228 -40.297 41.4986 21.8078 205.337 103.544 299.922 -221.31 PRESSAVG: 1442600 -56.1495 -32.6074 -18.338 -32.6074 35.2032 -97.0777 -18.338 -97.0777 -40.0155 GPRESSAVG: 1442600 -55.0898 -33.6034 -19.7941 -31.5638 33.7457 -98.0345 -20.5986 -95.7479 -39.1259 TIMING: 1442600 CPU: 4628.95, 0.0031866/step Wall: 4628.95, 0.0031866/step, 3.1489 hours remaining, 229.777344 MB of memory in use. ENERGY: 1442600 3988.2566 20226.5407 14491.1337 225.8927 -203061.6505 2701.8719 0.0000 0.0000 51887.0444 -109540.9105 298.1956 -161427.9550 -109178.9134 299.0058 -36.6011 2.9140 760917.7758 -20.3206 -20.1567 PRESSURE: 1442800 -40.5246 245.392 -227.893 245.391 -64.7698 295.896 -227.894 295.895 301.266 GPRESSURE: 1442800 -24.021 269.701 -185.074 157.132 23.4165 354.893 -158.03 180.652 280.598 PRESSAVG: 1442800 -34.8761 -37.5674 -8.58533 -37.5674 7.67172 27.9091 -8.58535 27.909 -7.37007 GPRESSAVG: 1442800 -35.8662 -38.058 -7.34851 -38.152 10.3316 27.5778 -6.55904 27.2322 -8.92862 TIMING: 1442800 CPU: 4629.59, 0.00317036/step Wall: 4629.59, 0.00317036/step, 3.13267 hours remaining, 229.777344 MB of memory in use. ENERGY: 1442800 3948.2207 20433.5093 14541.6105 249.9643 -202983.3264 2304.5496 0.0000 0.0000 51796.6186 -109708.8533 297.6759 -161505.4719 -109355.0962 298.8188 65.3237 93.3312 759305.7280 -11.5248 -11.4877 PRESSURE: 1443000 -57.1798 195.744 50.9213 195.744 -12.1015 65.7764 50.9214 65.7768 -23.0294 GPRESSURE: 1443000 57.0652 172.606 61.0923 197.457 4.48992 87.6067 30.069 132.6 -73.7313 PRESSAVG: 1443000 35.2453 -6.49548 17.1236 -6.49547 30.2851 14.2251 17.1236 14.2252 -31.4108 GPRESSAVG: 1443000 36.283 -8.67775 17.2823 -5.93572 28.6398 14.0509 15.8432 14.162 -30.4977 TIMING: 1443000 CPU: 4630.22, 0.00317674/step Wall: 4630.22, 0.00317674/step, 3.1388 hours remaining, 229.777344 MB of memory in use. ENERGY: 1443000 3929.7400 20481.9643 14546.6691 245.0855 -203299.5099 2365.9048 0.0000 0.0000 51924.9946 -109805.1516 298.4137 -161730.1462 -109455.8480 298.6926 -30.7702 -4.0587 760249.6033 11.3732 11.4750 PRESSURE: 1443200 200.414 -3.29453 35.9774 -3.29396 -127.963 79.4266 35.9769 79.4258 182.343 GPRESSURE: 1443200 257.888 34.203 -1.01281 30.2937 -126.014 18.7043 1.54308 7.97576 202.129 PRESSAVG: 1443200 -41.4171 32.3846 -24.6934 32.3846 28.1575 -1.67904 -24.6935 -1.67908 44.8997 GPRESSAVG: 1443200 -41.5593 35.3755 -25.0546 32.2695 27.8869 -2.25318 -24.7959 0.348648 45.1624 TIMING: 1443200 CPU: 4630.86, 0.00317147/step Wall: 4630.86, 0.00317147/step, 3.13341 hours remaining, 229.777344 MB of memory in use. ENERGY: 1443200 3914.5572 20546.6052 14506.4425 259.7564 -203411.2320 2677.4572 0.0000 0.0000 51931.1930 -109575.2204 298.4493 -161506.4134 -109222.4859 298.7866 84.9313 111.3343 761782.1674 10.5467 10.4967 PRESSURE: 1443400 -70.6874 49.6937 105.68 49.6943 -3.72589 138.234 105.68 138.234 50.1934 GPRESSURE: 1443400 41.3136 74.9877 45.8114 95.0349 36.4764 45.0905 24.4177 172.744 -20.041 PRESSAVG: 1443400 18.7233 -10.7369 -70.1198 -10.7368 -49.5005 16.5923 -70.1198 16.5923 5.66832 GPRESSAVG: 1443400 19.0141 -10.159 -70.1688 -11.5322 -49.0776 17.7785 -71.4866 16.4345 4.59056 TIMING: 1443400 CPU: 4631.49, 0.00316569/step Wall: 4631.49, 0.00316569/step, 3.12752 hours remaining, 229.777344 MB of memory in use. ENERGY: 1443400 3988.1783 20448.0189 14548.6270 246.3169 -203216.4495 2318.5797 0.0000 0.0000 52170.4364 -109496.2922 299.8242 -161666.7286 -109131.5337 299.2038 -8.0733 19.2497 760655.8327 -8.3696 -8.4910 PRESSURE: 1443600 -90.1167 -132.34 -198.8 -132.34 244.327 -15.5444 -198.8 -15.544 -321.466 GPRESSURE: 1443600 -53.3934 -235.252 -289.043 -121.086 243.842 111.465 -179.607 35.4001 -264.346 PRESSAVG: 1443600 -39.4928 -9.32374 25.0576 -9.32372 46.9189 -6.06285 25.0575 -6.06287 -7.74702 GPRESSAVG: 1443600 -40.141 -11.3575 25.8499 -8.48726 47.7869 -5.13588 24.1284 -7.6942 -7.15461 TIMING: 1443600 CPU: 4632.12, 0.00316687/step Wall: 4632.12, 0.00316687/step, 3.12852 hours remaining, 229.777344 MB of memory in use. ENERGY: 1443600 4114.5394 20443.4620 14526.4810 235.8488 -203275.0759 2557.9399 0.0000 0.0000 52014.4184 -109382.3864 298.9276 -161396.8048 -109025.5605 299.4718 -55.7517 -24.6326 762263.5716 -0.1070 0.1637 PRESSURE: 1443800 -157.293 -160.486 42.203 -160.488 127.521 -2.13014 42.203 -2.12895 176.043 GPRESSURE: 1443800 -213.567 -33.482 48.781 -127.81 227.334 -43.771 92.3138 159.983 226.719 PRESSAVG: 1443800 -92.2406 -4.61883 13.6667 -4.61886 23.9836 62.0764 13.6667 62.0764 15.7972 GPRESSAVG: 1443800 -92.3589 -2.37392 12.5978 -6.39183 23.7277 61.4224 15.5284 63.0836 15.962 TIMING: 1443800 CPU: 4632.76, 0.0032012/step Wall: 4632.76, 0.0032012/step, 3.16225 hours remaining, 229.777344 MB of memory in use. ENERGY: 1443800 3991.7619 20486.5343 14503.1701 208.6902 -203078.9048 2438.0885 0.0000 0.0000 52116.8674 -109333.7924 299.5164 -161450.6598 -108981.6682 299.3201 48.7572 80.1620 761614.6720 -17.4866 -17.5564 PRESSURE: 1444000 59.8073 -52.9297 -42.7576 -52.9305 100.019 170.867 -42.7575 170.866 86.8288 GPRESSURE: 1444000 137.534 -84.7972 -29.6702 41.0991 126.585 186.23 -36.9979 86.8893 57.0755 PRESSAVG: 1444000 -65.4918 -39.7905 -34.7931 -39.7904 25.8147 -0.888104 -34.7932 -0.888129 2.10854 GPRESSAVG: 1444000 -65.8103 -41.1054 -35.8086 -37.6501 25.7309 -0.397444 -31.4231 -1.85943 2.5323 TIMING: 1444000 CPU: 4633.4, 0.00317398/step Wall: 4633.4, 0.00317398/step, 3.13519 hours remaining, 229.777344 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: 1444000 3979.1013 20449.4943 14552.6725 266.6231 -202862.5737 2225.5436 0.0000 0.0000 51986.5035 -109402.6354 298.7672 -161389.1389 -109038.9587 299.2658 82.2183 107.0648 759433.2914 -12.5229 -12.5157 PRESSURE: 1444200 -52.871 -9.22998 -41.7693 -9.22924 146.536 162.713 -41.7706 162.713 -151.119 GPRESSURE: 1444200 26.0694 31.0748 4.56258 -152.543 183.344 122.484 35.0312 142.521 -160.437 PRESSAVG: 1444200 -19.2567 19.7502 25.0402 19.7502 61.3064 5.8521 25.0402 5.85213 0.840326 GPRESSAVG: 1444200 -18.2153 19.466 26.09 18.3804 60.1945 5.12477 23.2803 6.33827 0.780194 TIMING: 1444200 CPU: 4634.03, 0.00314698/step Wall: 4634.03, 0.00314698/step, 3.10834 hours remaining, 229.777344 MB of memory in use. ENERGY: 1444200 3961.0306 20372.7184 14560.5548 262.4985 -203231.5561 2546.2222 0.0000 0.0000 52025.6945 -109502.8371 298.9924 -161528.5316 -109132.5539 299.3814 -19.1513 16.3252 760999.1524 14.2967 14.2531 LDB: ============= START OF LOAD BALANCING ============== 4646.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4646.45 LDB: =============== DONE WITH MIGRATION ================ 4646.45 LDB: ============= START OF LOAD BALANCING ============== 4646.77 LDB: Largest compute 7070 load 0.034081 is 17.4% of average load 0.195323 LDB: Average compute 0.004402 is 2.3% of average load 0.195323 LDB: TIME 4646.77 LOAD: AVG 0.195323 MAX 0.211924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 4646.77 LOAD: AVG 0.195323 MAX 0.211924 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.516 MB LDB: TIME 4646.77 LOAD: AVG 0.195323 MAX 0.211924 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.516 MB LDB: ============== END OF LOAD BALANCING =============== 4646.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4646.78 PRESSURE: 1444400 -32.5606 -82.4009 -2.93268 -82.4016 299.424 -251.898 -2.9327 -251.898 -132.763 GPRESSURE: 1444400 -11.8138 -167.781 -43.2714 3.7113 367.77 -274.344 38.3512 -177.144 -132.898 PRESSAVG: 1444400 -76.7942 15.4738 -56.2819 15.4738 110.986 -3.4457 -56.2819 -3.4457 23.5306 GPRESSAVG: 1444400 -77.5698 15.1711 -57.4359 15.9645 111.049 -4.72122 -57.67 -2.77467 24.3798 TIMING: 1444400 CPU: 4634.67, 0.00320846/step Wall: 4634.67, 0.00320846/step, 3.16889 hours remaining, 232.343750 MB of memory in use. ENERGY: 1444400 3991.6517 20456.1405 14488.2139 251.0142 -203626.4096 2702.9784 0.0000 0.0000 52386.6312 -109349.7798 301.0667 -161736.4110 -108981.6482 299.1740 44.7000 74.3528 760322.7392 19.2409 19.2864 PRESSURE: 1444600 111.362 143.403 -179.166 143.404 -150.995 -118.859 -179.166 -118.859 153.128 GPRESSURE: 1444600 31.1876 55.091 -215.236 189.34 -24.5841 -150.245 -40.5979 -58.7286 205.905 PRESSAVG: 1444600 64.9891 48.8434 -25.697 48.8434 -45.4016 -100.363 -25.697 -100.363 -21.6936 GPRESSAVG: 1444600 65.6394 46.647 -25.8075 49.164 -44.3649 -98.6808 -24.7053 -102.569 -22.6918 TIMING: 1444600 CPU: 4635.3, 0.00316273/step Wall: 4635.3, 0.00316273/step, 3.12354 hours remaining, 232.414062 MB of memory in use. ENERGY: 1444600 3991.6621 20261.9445 14511.8231 235.0424 -203444.7880 2702.3487 0.0000 0.0000 52348.4991 -109393.4680 300.8475 -161741.9671 -109022.3789 299.8314 37.8314 70.8360 760470.0049 -0.7021 -0.4724 PRESSURE: 1444800 198.513 -223.571 -208.099 -223.572 127.599 213.584 -208.099 213.585 -59.9212 GPRESSURE: 1444800 255.345 -161.288 -185.858 -232.265 176.909 258.83 -258.847 129.694 -78.2964 PRESSAVG: 1444800 -19.3126 19.6326 -38.8855 19.6325 -4.50827 -12.9145 -38.8855 -12.9145 11.1927 GPRESSAVG: 1444800 -19.1339 21.3009 -38.4326 18.3688 -5.33334 -13.3386 -39.5441 -12.3551 10.7951 TIMING: 1444800 CPU: 4635.93, 0.00315784/step Wall: 4635.93, 0.00315784/step, 3.11854 hours remaining, 232.414062 MB of memory in use. ENERGY: 1444800 3938.0950 20480.8056 14531.3534 256.2138 -203453.9252 2733.8494 0.0000 0.0000 52088.1053 -109425.5027 299.3511 -161513.6080 -109074.3970 299.2498 88.7302 117.9860 760040.5286 -4.2094 -4.5574 PRESSURE: 1445000 47.9831 -237.367 140.838 -237.366 334.641 -112.327 140.839 -112.327 -32.4816 GPRESSURE: 1445000 128.433 -225.066 360.501 -235.878 366.577 -111.792 201.947 -88.0533 -54.4033 PRESSAVG: 1445000 -26.5752 -10.8105 -41.5074 -10.8105 33.8693 -21.3841 -41.5074 -21.3841 -4.04069 GPRESSAVG: 1445000 -25.8345 -8.57152 -39.7718 -10.8019 32.4784 -22.1433 -43.9292 -21.0532 -3.46642 TIMING: 1445000 CPU: 4636.57, 0.00315682/step Wall: 4636.57, 0.00315682/step, 3.11736 hours remaining, 232.414062 MB of memory in use. ENERGY: 1445000 4030.4074 20567.3047 14567.6566 249.5219 -203148.2788 2347.2433 0.0000 0.0000 52094.5058 -109291.6391 299.3878 -161386.1449 -108938.0368 300.0678 116.7142 146.8686 760309.9922 1.0845 1.0591 PRESSURE: 1445200 -44.104 -82.2388 103.807 -82.2382 -324.921 123.088 103.807 123.088 -245.119 GPRESSURE: 1445200 -90.0433 -114.514 97.1086 -44.9695 -253.886 153.535 44.0774 130.811 -185.607 PRESSAVG: 1445200 0.267503 -29.2896 -12.5012 -29.2896 7.36615 -9.16293 -12.5011 -9.16294 -3.06856 GPRESSAVG: 1445200 -0.568937 -31.0659 -12.6304 -28.5052 8.51023 -7.80587 -11.4587 -9.16445 -3.64145 TIMING: 1445200 CPU: 4637.2, 0.00318377/step Wall: 4637.2, 0.00318377/step, 3.1438 hours remaining, 232.613281 MB of memory in use. ENERGY: 1445200 4028.0520 20428.9512 14549.8795 248.9187 -202859.9205 2300.8990 0.0000 0.0000 51753.5790 -109549.6412 297.4285 -161303.2201 -109193.4510 299.0278 -204.7145 -176.5120 761517.7912 1.5217 1.4333 PRESSURE: 1445400 -232.82 -82.4969 73.0572 -82.4965 245.502 125.826 73.0576 125.826 -201.129 GPRESSURE: 1445400 -182.497 -93.5772 16.2129 -186.738 278.575 173.852 115.02 35.5243 -193.477 PRESSAVG: 1445400 -80.6468 -42.0961 -44.6458 -42.096 69.4621 -35.8434 -44.6458 -35.8434 23.6948 GPRESSAVG: 1445400 -80.8052 -42.3189 -45.5537 -44.0411 69.9935 -36.8848 -42.8511 -38.8155 23.2996 TIMING: 1445400 CPU: 4637.84, 0.00320059/step Wall: 4637.84, 0.00320059/step, 3.16023 hours remaining, 232.613281 MB of memory in use. ENERGY: 1445400 4022.4362 20541.3997 14488.0885 233.3418 -203627.2239 2688.1721 0.0000 0.0000 52437.8365 -109215.9491 301.3610 -161653.7855 -108847.2136 299.2985 -62.8158 -32.4665 761806.2719 4.1700 4.1626 PRESSURE: 1445600 -146.901 -217.108 -173.631 -217.107 -91.3657 141.886 -173.632 141.886 276.119 GPRESSURE: 1445600 -58.0059 -127.28 -248.615 46.1316 -90.817 109.88 -210.288 172.677 281.94 PRESSAVG: 1445600 -16.3963 -26.0735 5.48182 -26.0735 27.5706 -5.87397 5.48177 -5.87397 -22.2638 GPRESSAVG: 1445600 -15.8412 -24.8864 5.35207 -24.7286 26.4286 -7.75212 3.85162 -1.74683 -21.6717 TIMING: 1445600 CPU: 4638.47, 0.00316016/step Wall: 4638.47, 0.00316016/step, 3.12013 hours remaining, 232.613281 MB of memory in use. ENERGY: 1445600 4025.5439 20518.7504 14489.9039 252.6532 -203276.9967 2398.2486 0.0000 0.0000 52090.8260 -109501.0707 299.3667 -161591.8967 -109137.5911 299.1096 12.6173 44.3723 760631.5641 -3.6965 -3.6948 PRESSURE: 1445800 -241.688 -51.7799 -135.894 -51.7789 118.704 -66.0541 -135.895 -66.0541 -79.607 GPRESSURE: 1445800 -164.287 -93.1211 2.82487 -43.935 61.6621 -83.6075 -238.585 -169.397 -7.05877 PRESSAVG: 1445800 -5.03158 -52.875 -22.2568 -52.875 15.7835 -39.7293 -22.2568 -39.7293 6.79076 GPRESSAVG: 1445800 -6.93686 -54.1359 -23.7271 -52.9155 17.1677 -38.3432 -21.0492 -42.154 7.34315 TIMING: 1445800 CPU: 4639.11, 0.00318697/step Wall: 4639.11, 0.00318697/step, 3.14643 hours remaining, 232.613281 MB of memory in use. ENERGY: 1445800 4091.8359 20674.4813 14483.9034 268.8153 -203280.8643 2427.8391 0.0000 0.0000 51852.3768 -109481.6124 297.9963 -161333.9892 -109124.5235 299.3461 -67.5301 -36.5612 760118.7618 5.8476 5.8580 PRESSURE: 1446000 63.6908 43.1923 -83.6221 43.1923 -197.507 77.7282 -83.621 77.7264 -366.869 GPRESSURE: 1446000 -37.1097 87.3187 -136.083 14.7529 18.8739 -12.9153 -28.7259 159.786 -431.753 PRESSAVG: 1446000 -62.0868 -8.10978 -29.283 -8.10973 33.3833 -20.1636 -29.283 -20.1637 -16.6857 GPRESSAVG: 1446000 -61.2828 -7.43925 -28.4467 -8.70723 33.8215 -19.6893 -28.8419 -19.7656 -18.6844 TIMING: 1446000 CPU: 4639.75, 0.00316582/step Wall: 4639.75, 0.00316582/step, 3.12537 hours remaining, 232.613281 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: 1446000 3994.6030 20455.0907 14585.1183 235.6744 -203375.2554 2460.6376 0.0000 0.0000 52316.0689 -109328.0625 300.6612 -161644.1314 -108956.3997 299.5654 -166.8949 -149.9963 760317.7147 -15.1297 -15.3819 PRESSURE: 1446200 -42.0123 268.453 75.6921 268.452 -218.437 150.284 75.6928 150.283 76.9213 GPRESSURE: 1446200 3.89459 239.368 58.5459 313.486 -184.308 127.73 187.082 104.962 81.7951 PRESSAVG: 1446200 3.89703 -52.2031 -13.3468 -52.2032 -16.2094 -16.3489 -13.3468 -16.3488 22.24 GPRESSAVG: 1446200 2.82056 -52.7535 -13.9322 -52.6204 -16.7857 -19.0255 -12.9926 -14.6647 23.7614 TIMING: 1446200 CPU: 4640.38, 0.00317793/step Wall: 4640.38, 0.00317793/step, 3.13715 hours remaining, 232.613281 MB of memory in use. ENERGY: 1446200 3994.8132 20576.6778 14528.6596 250.6242 -202990.4357 2199.3577 0.0000 0.0000 52404.3729 -109035.9304 301.1687 -161440.3033 -108668.6108 300.2442 -61.1761 -32.8728 761675.1163 3.3092 3.2654 PRESSURE: 1446400 -19.8605 -44.8814 -128.649 -44.8817 -458.854 -9.13835 -128.649 -9.13732 -224.246 GPRESSURE: 1446400 -26.9903 -205.336 -51.5563 -132.012 -471.71 3.52982 -94.0602 -52.3764 -102.036 PRESSAVG: 1446400 19.486 4.45676 -1.14969 4.45673 34.1364 25.9931 -1.14964 25.9932 -4.29038 GPRESSAVG: 1446400 21.2953 5.12055 -1.06456 4.19646 33.4383 29.1019 -1.99159 24.0815 -4.61214 TIMING: 1446400 CPU: 4641.02, 0.00320016/step Wall: 4641.02, 0.00320016/step, 3.15892 hours remaining, 232.613281 MB of memory in use. ENERGY: 1446400 4003.2984 20575.9178 14527.2197 261.5547 -203005.3109 2202.3346 0.0000 0.0000 52218.4455 -109216.5402 300.1001 -161434.9857 -108855.8512 300.1470 -234.3204 -200.2454 761011.3547 16.4440 16.7072 PRESSURE: 1446600 92.4778 71.0725 176.492 71.0718 35.0306 42.3175 176.493 42.3179 -119.665 GPRESSURE: 1446600 88.3017 53.069 130.442 38.7948 86.1026 -69.9149 9.68386 -9.76611 -69.8715 PRESSAVG: 1446600 48.5416 -12.2713 -15.1872 -12.2713 -44.4041 2.92914 -15.1872 2.9291 12.7276 GPRESSAVG: 1446600 48.1261 -12.8066 -15.8237 -10.8037 -43.3438 2.10256 -14.5756 4.36357 12.8265 TIMING: 1446600 CPU: 4641.66, 0.00320527/step Wall: 4641.66, 0.00320527/step, 3.16378 hours remaining, 232.613281 MB of memory in use. ENERGY: 1446600 4033.1589 20529.8486 14590.9164 235.1923 -203445.3034 2700.7031 0.0000 0.0000 52122.1474 -109233.3368 299.5467 -161355.4842 -108871.5052 299.9870 2.6145 34.8442 759779.0401 5.6217 5.8696 PRESSURE: 1446800 -12.3303 44.6561 37.8112 44.6558 -388.369 -11.0459 37.8117 -11.0457 -12.5685 GPRESSURE: 1446800 67.2262 -125.874 -71.9127 -36.7547 -386.327 25.0094 -65.3712 -87.5343 -21.2977 PRESSAVG: 1446800 -53.0571 -26.8413 -16.3644 -26.8413 -9.22149 -58.2459 -16.3645 -58.2459 6.58971 GPRESSAVG: 1446800 -53.7511 -26.2104 -15.2718 -27.5629 -9.30365 -57.4556 -20.5528 -60.9939 6.90126 TIMING: 1446800 CPU: 4642.3, 0.00319972/step Wall: 4642.3, 0.00319972/step, 3.15813 hours remaining, 232.613281 MB of memory in use. ENERGY: 1446800 4039.6806 20605.8495 14538.6740 244.6350 -203218.7776 2618.7456 0.0000 0.0000 51954.8253 -109216.3677 298.5851 -161171.1930 -108859.0134 300.1581 -137.7561 -113.4661 761895.6544 -18.5629 -18.7178 PRESSURE: 1447000 -263.682 -89.1614 -201.908 -89.1611 -479.592 -292.843 -201.909 -292.844 -105.528 GPRESSURE: 1447000 -274.374 -146.624 -161.961 -124.28 -410 -277.605 -182.522 -156.163 -109.206 PRESSAVG: 1447000 -14.9882 -17.9219 -41.0494 -17.9219 29.5408 6.47485 -41.0493 6.4748 -1.86054 GPRESSAVG: 1447000 -14.6213 -19.8567 -43.4881 -15.6855 27.9446 8.18163 -38.6637 7.12668 -1.18652 TIMING: 1447000 CPU: 4642.95, 0.00323193/step Wall: 4642.95, 0.00323193/step, 3.18973 hours remaining, 232.613281 MB of memory in use. ENERGY: 1447000 3986.5670 20658.3771 14534.1368 248.3418 -203068.5826 2351.9316 0.0000 0.0000 52212.9177 -109076.3107 300.0684 -161289.2284 -108712.5334 300.2381 -282.9341 -264.5266 761579.7070 4.2307 4.0456 PRESSURE: 1447200 393.466 -93.193 30.1217 -93.194 124.899 26.9394 30.1208 26.94 90.8823 GPRESSURE: 1447200 380.493 -99.8883 -30.4118 -117.166 154.173 34.6868 72.8045 65.7525 170.704 PRESSAVG: 1447200 -55.1134 -20.0117 10.0626 -20.0117 46.1973 1.94097 10.0626 1.94102 -10.7904 GPRESSAVG: 1447200 -55.0395 -17.4205 11.9526 -22.5569 46.8945 -0.579518 10.7484 4.18436 -10.9442 TIMING: 1447200 CPU: 4643.59, 0.00320904/step Wall: 4643.59, 0.00320904/step, 3.16697 hours remaining, 232.613281 MB of memory in use. ENERGY: 1447200 3903.0137 20647.3691 14462.0775 273.2394 -203296.2125 2615.8580 0.0000 0.0000 52399.4528 -108995.2020 301.1404 -161394.6549 -108629.4785 300.5451 203.0823 235.1234 760503.5583 -6.5688 -6.3631 PRESSURE: 1447400 423.348 -18.4273 23.5993 -18.4272 -119.695 322.562 23.5988 322.562 -339.901 GPRESSURE: 1447400 386.771 -22.3584 23.91 -53.5548 -42.2078 323.038 -122.511 205.103 -305.608 PRESSAVG: 1447400 16.3528 -81.6935 -63.0667 -81.6934 -22.331 -22.463 -63.0667 -22.463 13.3019 GPRESSAVG: 1447400 15.4024 -82.9327 -64.33 -81.8205 -22.0464 -23.6288 -64.3518 -23.6044 13.7082 TIMING: 1447400 CPU: 4644.22, 0.00317318/step Wall: 4644.22, 0.00317318/step, 3.1314 hours remaining, 232.613281 MB of memory in use. ENERGY: 1447400 4017.9490 20488.0081 14576.2510 231.7460 -203061.0309 2375.3621 0.0000 0.0000 52214.6159 -109157.0987 300.0781 -161371.7146 -108799.7320 300.1314 -12.0825 12.9850 759436.4210 2.4412 2.3547 PRESSURE: 1447600 69.9716 84.7148 234.994 84.715 -118.813 -2.97625 234.993 -2.97574 -117.052 GPRESSURE: 1447600 41.1108 104.417 159.296 102.897 18.069 34.8059 306.985 -20.346 -124.699 PRESSAVG: 1447600 24.5825 10.9392 -12.844 10.9392 25.654 16.7523 -12.844 16.7524 1.65729 GPRESSAVG: 1447600 25.9406 9.9002 -11.1224 12.3902 24.5386 17.4939 -13.174 17.4495 1.49315 TIMING: 1447600 CPU: 4644.86, 0.00317213/step Wall: 4644.86, 0.00317213/step, 3.13019 hours remaining, 232.613281 MB of memory in use. ENERGY: 1447600 4035.6197 20360.0733 14493.1566 240.4038 -202997.8323 2382.1012 0.0000 0.0000 52266.0369 -109220.4409 300.3736 -161486.4778 -108849.1917 300.0398 -55.2979 -21.8396 762132.9411 17.2979 17.3241 PRESSURE: 1447800 190.544 98.5662 -50.2349 98.5668 -140.291 -32.9957 -50.2344 -32.9962 19.3602 GPRESSURE: 1447800 149.419 80.1987 -28.3057 34.6543 -84.1994 -87.8773 -158.209 -124.7 94.1482 PRESSAVG: 1447800 12.6429 -10.324 8.27852 -10.324 9.67468 -24.943 8.27858 -24.9429 6.42629 GPRESSAVG: 1447800 10.995 -9.83562 8.25433 -11.1695 10.5561 -24.8483 8.74086 -26.7772 7.15221 TIMING: 1447800 CPU: 4645.49, 0.00317409/step Wall: 4645.49, 0.00317409/step, 3.13195 hours remaining, 232.613281 MB of memory in use. ENERGY: 1447800 3984.1768 20563.9008 14528.9560 241.8423 -202795.8467 2087.9988 0.0000 0.0000 52109.1145 -109279.8576 299.4718 -161388.9720 -108907.5421 299.6080 23.2045 53.1227 760950.5099 9.5813 9.5678 PRESSURE: 1448000 -230.073 2.9151 -86.0592 2.91428 -468.146 -77.4137 -86.0591 -77.4152 -100.565 GPRESSURE: 1448000 -233.82 126.187 -44.3911 -62.5195 -383.08 15.1327 -164.326 -47.102 -93.6835 PRESSAVG: 1448000 24.2194 7.58172 -23.9952 7.58168 -28.9537 -85.3138 -23.9952 -85.3137 -9.78148 GPRESSAVG: 1448000 25.4784 7.5644 -23.5154 8.14507 -28.8821 -85.1414 -24.7655 -83.6844 -11.2104 TIMING: 1448000 CPU: 4646.13, 0.00317089/step Wall: 4646.13, 0.00317089/step, 3.12861 hours remaining, 232.613281 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: 1448000 3997.9164 20373.7343 14494.0832 250.0713 -203104.7950 2362.9960 0.0000 0.0000 51980.1736 -109645.8203 298.7308 -161625.9939 -109280.6998 298.9556 -266.2614 -236.8612 761848.0253 -4.8386 -4.8714 PRESSURE: 1448200 228.057 36.2407 -48.6533 36.2401 -75.8388 -275.572 -48.6537 -275.573 -262.639 GPRESSURE: 1448200 226.308 48.2699 7.74646 63.8944 12.3942 -229.277 -39.711 -288.438 -272.91 PRESSAVG: 1448200 -33.7542 0.685483 -14.0471 0.685495 15.3098 -47.1907 -14.0471 -47.1906 -2.95341 GPRESSAVG: 1448200 -34.7361 2.34785 -15.1907 1.02319 15.3013 -46.5749 -14.4414 -48.631 -2.22012 TIMING: 1448200 CPU: 4646.76, 0.00318415/step Wall: 4646.76, 0.00318415/step, 3.14152 hours remaining, 232.613281 MB of memory in use. ENERGY: 1448200 3920.2115 20546.6987 14536.5493 273.2888 -203684.9895 2627.8588 0.0000 0.0000 52082.7132 -109697.6692 299.3201 -161780.3824 -109335.6279 298.5235 -36.8070 -11.4029 761525.1872 -7.1326 -7.2183 LDB: ============= START OF LOAD BALANCING ============== 4659.19 LDB: ============== END OF LOAD BALANCING =============== 4659.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4659.19 LDB: ============= START OF LOAD BALANCING ============== 4659.51 LDB: Largest compute 7066 load 0.036714 is 18.8% of average load 0.195322 LDB: Average compute 0.004378 is 2.2% of average load 0.195322 LDB: TIME 4659.51 LOAD: AVG 0.195322 MAX 0.211057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.602 MB LDB: TIME 4659.51 LOAD: AVG 0.195322 MAX 0.211057 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.602 MB LDB: TIME 4659.51 LOAD: AVG 0.195322 MAX 0.211057 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.602 MB LDB: ============== END OF LOAD BALANCING =============== 4659.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4659.52 PRESSURE: 1448400 -163.521 -41.2251 -139.542 -41.2245 107.849 -13.5252 -139.542 -13.5259 119.566 GPRESSURE: 1448400 -129.121 -34.3166 -154.839 -19.5516 134.827 -94.7273 -16.365 -39.3954 133.857 PRESSAVG: 1448400 35.2132 3.00907 -33.9092 3.00911 2.08623 -47.5776 -33.9092 -47.5776 -11.6456 GPRESSAVG: 1448400 35.0733 1.93043 -33.0646 3.49774 3.24059 -49.4616 -31.7917 -48.0701 -12.7758 TIMING: 1448400 CPU: 4647.41, 0.0032378/step Wall: 4647.41, 0.0032378/step, 3.19427 hours remaining, 230.800781 MB of memory in use. ENERGY: 1448400 3955.9025 20227.0457 14518.6843 261.9059 -203514.9966 2783.0716 0.0000 0.0000 52054.5908 -109713.7958 299.1584 -161768.3866 -109346.8188 298.6025 21.2979 46.5213 761543.0630 8.5513 8.5127 PRESSURE: 1448600 -91.6922 -223.954 38.4966 -223.953 -184.414 -30.6469 38.4971 -30.6477 343.63 GPRESSURE: 1448600 -146.106 -293.741 5.76032 -250.768 -43.4379 11.4296 23.0429 97.0753 341.499 PRESSAVG: 1448600 36.7996 -2.16274 -13.7106 -2.16274 -6.69202 -1.17732 -13.7106 -1.17732 -6.94756 GPRESSAVG: 1448600 37.6933 -2.92116 -14.7374 -4.48038 -8.50487 -0.318903 -13.2511 2.32982 -5.84104 TIMING: 1448600 CPU: 4648.04, 0.00315761/step Wall: 4648.04, 0.00315761/step, 3.11499 hours remaining, 230.800781 MB of memory in use. ENERGY: 1448600 3985.4213 20364.2231 14607.2642 247.5445 -203115.9980 2308.2048 0.0000 0.0000 51967.4542 -109635.8860 298.6577 -161603.3402 -109267.0174 298.9532 22.5080 50.6517 761746.3560 7.7200 7.7824 PRESSURE: 1448800 -154.68 43.1506 -12.8052 43.1505 97.3351 -28.2967 -12.8045 -28.2975 -9.40885 GPRESSURE: 1448800 -146.208 30.0705 70.1704 27.3854 106.829 -28.6624 -63.1701 -124.411 43.29 PRESSAVG: 1448800 -8.5835 -33.9673 29.6564 -33.9673 22.1035 -22.1753 29.6565 -22.1753 15.2773 GPRESSAVG: 1448800 -8.69868 -31.7858 32.2033 -33.2337 22.9436 -21.2325 27.5384 -24.0044 14.2362 TIMING: 1448800 CPU: 4648.68, 0.00318754/step Wall: 4648.68, 0.00318754/step, 3.14433 hours remaining, 230.800781 MB of memory in use. ENERGY: 1448800 4030.8237 20447.3401 14571.2412 252.8911 -203345.5699 2315.1612 0.0000 0.0000 52027.3668 -109700.7457 299.0020 -161728.1125 -109337.5113 298.9376 -22.2513 1.3039 759280.7163 9.5991 9.4937 PRESSURE: 1449000 38.7276 -179.631 -27.2894 -179.63 159.079 100.263 -27.2889 100.263 102.576 GPRESSURE: 1449000 128.982 -173.959 -116.278 -250.328 201.729 65.9045 45.9697 -102.594 70.7108 PRESSAVG: 1449000 70.4863 -97.4254 7.0881 -97.4254 -52.7531 -73.1256 7.08805 -73.1255 -17.1012 GPRESSAVG: 1449000 71.2635 -98.3726 6.02466 -97.2624 -53.7353 -73.4041 9.2342 -75.326 -16.1686 TIMING: 1449000 CPU: 4649.32, 0.0032046/step Wall: 4649.32, 0.0032046/step, 3.16098 hours remaining, 230.800781 MB of memory in use. ENERGY: 1449000 3964.0821 20452.5298 14552.6369 258.5734 -203245.3391 2390.8081 0.0000 0.0000 51960.6050 -109666.1038 298.6183 -161626.7088 -109311.4236 298.8595 100.1276 133.8075 761050.1544 0.2107 0.4532 PRESSURE: 1449200 -37.2235 47.9529 146.017 47.9538 -385.26 -2.06036 146.016 -2.06031 -24.7433 GPRESSURE: 1449200 40.2351 71.2822 44.6014 52.9965 -453.227 -40.7716 50.1678 194.141 59.0081 PRESSAVG: 1449200 3.40053 -87.6756 -27.6852 -87.6756 -26.8353 -62.814 -27.6852 -62.814 -17.3144 GPRESSAVG: 1449200 2.24714 -87.6548 -29.0861 -86.3005 -26.8371 -61.2649 -28.2891 -60.753 -17.091 TIMING: 1449200 CPU: 4649.96, 0.00319068/step Wall: 4649.96, 0.00319068/step, 3.14707 hours remaining, 230.800781 MB of memory in use. ENERGY: 1449200 3975.8733 20289.3323 14535.8757 247.3137 -202867.6425 2140.4161 0.0000 0.0000 51905.9636 -109772.8677 298.3043 -161678.8314 -109402.6757 298.2929 -149.0758 -117.9946 760795.3592 -13.5830 -13.8937 PRESSURE: 1449400 48.7777 7.19081 87.6642 7.19131 -13.097 160.22 87.6641 160.219 75.3301 GPRESSURE: 1449400 58.6221 -4.13739 -26.0513 18.176 -15.9972 99.3028 33.5326 1.51486 164.443 PRESSAVG: 1449400 -5.46005 -22.0846 -18.2459 -22.0847 -25.1483 1.50963 -18.246 1.50967 8.59796 GPRESSAVG: 1449400 -5.38664 -22.907 -17.4872 -22.7222 -24.7832 -2.01127 -18.947 3.54565 7.90073 TIMING: 1449400 CPU: 4650.6, 0.00317689/step Wall: 4650.6, 0.00317689/step, 3.1333 hours remaining, 230.800781 MB of memory in use. ENERGY: 1449400 3910.6363 20464.5003 14534.0216 231.7156 -203531.8004 2547.0912 0.0000 0.0000 52104.0334 -109739.8021 299.4426 -161843.8355 -109384.7817 298.3195 37.0036 69.0226 759206.1495 -7.3368 -7.4230 PRESSURE: 1449600 -220.563 58.0984 239.077 58.0985 25.8155 -186.329 239.076 -186.33 404.471 GPRESSURE: 1449600 -205.531 61.4182 211.62 61.9431 65.9692 -190.102 146.717 -86.5006 417.863 PRESSAVG: 1449600 29.473 -35.0335 -31.1048 -35.0336 -10.5674 17.0635 -31.1047 17.0634 13.9274 GPRESSAVG: 1449600 29.2437 -35.1614 -30.2596 -33.2773 -10.6518 18.168 -31.367 15.6836 13.8787 TIMING: 1449600 CPU: 4651.23, 0.00315808/step Wall: 4651.23, 0.00315808/step, 3.11457 hours remaining, 230.800781 MB of memory in use. ENERGY: 1449600 3876.0336 20376.5108 14512.9010 262.7844 -203168.7005 2238.1372 0.0000 0.0000 52259.0022 -109643.3313 300.3332 -161902.3335 -109273.2071 299.0752 69.9080 92.7670 760222.5669 10.9443 10.8235 PRESSURE: 1449800 -273.935 63.3866 -37.18 63.3866 5.45078 115.737 -37.1805 115.737 -418.924 GPRESSURE: 1449800 -235.653 -90.7644 -39.6438 -1.06634 -14.2666 110.852 50.0578 46.7337 -374.412 PRESSAVG: 1449800 46.0869 -46.6981 35.612 -46.698 -34.2343 -26.1881 35.612 -26.1881 -25.5383 GPRESSAVG: 1449800 46.3656 -46.9169 34.3272 -48.0155 -35.3201 -24.9217 37.3369 -25.1914 -25.5406 TIMING: 1449800 CPU: 4651.86, 0.00316622/step Wall: 4651.86, 0.00316622/step, 3.12242 hours remaining, 230.800781 MB of memory in use. ENERGY: 1449800 4104.9198 20715.9642 14489.2747 251.1135 -203106.5554 2257.3239 0.0000 0.0000 51812.8191 -109475.1403 297.7690 -161287.9594 -109120.7946 298.8694 -229.1363 -208.1106 759833.6741 -4.5619 -4.8317 PRESSURE: 1450000 -138.463 -127.578 -197.273 -127.579 -73.1093 58.1562 -197.273 58.1561 195.676 GPRESSURE: 1450000 -127.363 -232.662 -229.538 -107.523 -65.9391 57.4313 -175.223 -15.852 260.625 PRESSAVG: 1450000 13.8226 -42.9347 10.1278 -42.9346 -27.4044 -34.8873 10.1277 -34.8873 30.4762 GPRESSAVG: 1450000 13.9206 -42.6369 9.45686 -42.5698 -25.8934 -35.3639 10.343 -36.1249 29.3052 TIMING: 1450000 CPU: 4652.5, 0.00319921/step Wall: 4652.5, 0.00319921/step, 3.15478 hours remaining, 230.800781 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: 1450000 3931.1178 20416.2739 14534.5719 254.1643 -203110.4851 2483.9932 0.0000 0.0000 51949.9191 -109540.4448 298.5569 -161490.3640 -109180.6340 299.2895 -5.2991 22.4412 760220.1072 5.6314 5.7775 PRESSURE: 1450200 41.9444 -175.505 -96.0187 -175.505 227.642 -146.802 -96.0184 -146.802 471.932 GPRESSURE: 1450200 95.2519 -66.1804 -130.745 -122.084 238.543 -172.773 96.6049 27.9538 478.825 PRESSAVG: 1450200 -27.1035 -7.6534 22.3211 -7.65333 11.2733 -22.0615 22.3211 -22.0615 -6.32143 GPRESSAVG: 1450200 -27.5035 -8.08568 22.8872 -7.22088 9.59739 -21.8715 20.9494 -20.1016 -4.22296 TIMING: 1450200 CPU: 4653.13, 0.00316252/step Wall: 4653.13, 0.00316252/step, 3.11842 hours remaining, 230.800781 MB of memory in use. ENERGY: 1450200 3874.2351 20331.2281 14474.4052 234.7469 -203212.1182 2566.4042 0.0000 0.0000 52028.7003 -109702.3984 299.0097 -161731.0987 -109351.0884 298.7809 247.1728 270.8732 759718.0995 -7.3839 -7.3764 PRESSURE: 1450400 436.745 -90.5803 320.585 -90.5802 -257.418 37.9414 320.585 37.9409 138.147 GPRESSURE: 1450400 494.964 26.0697 273.242 -152.458 -216.787 44.2252 301.748 6.88597 129.013 PRESSAVG: 1450400 9.62044 -21.7197 10.1553 -21.7197 -20.0216 21.9725 10.1553 21.9725 -0.236114 GPRESSAVG: 1450400 10.7209 -21.5956 9.97871 -22.7606 -20.0854 21.2882 9.27226 20.0748 -1.16487 TIMING: 1450400 CPU: 4653.77, 0.00316528/step Wall: 4653.77, 0.00316528/step, 3.12097 hours remaining, 230.800781 MB of memory in use. ENERGY: 1450400 3997.3976 20473.1885 14481.4022 243.6594 -203575.3024 2722.2159 0.0000 0.0000 52034.9602 -109622.4785 299.0456 -161657.4387 -109262.4663 298.7959 105.8247 135.7301 760193.2111 -3.5457 -3.5098 PRESSURE: 1450600 288.167 -1.63981 -119.248 -1.64085 166.007 -17.3642 -119.247 -17.3645 -441.008 GPRESSURE: 1450600 262.501 62.7931 -75.5907 -100.612 244.681 -32.3552 -147.953 -67.3187 -413.396 PRESSAVG: 1450600 -5.67998 -69.9609 19.3791 -69.9609 15.905 -22.5084 19.3791 -22.5085 -3.85075 GPRESSAVG: 1450600 -6.55666 -69.7355 19.6822 -68.5646 16.954 -22.8741 18.2421 -22.2351 -3.8891 TIMING: 1450600 CPU: 4654.4, 0.00315891/step Wall: 4654.4, 0.00315891/step, 3.11451 hours remaining, 230.800781 MB of memory in use. ENERGY: 1450600 3922.0463 20517.7969 14522.2795 233.7420 -203497.5874 2496.5498 0.0000 0.0000 52188.8291 -109616.3438 299.9299 -161805.1729 -109250.6484 298.9171 4.3886 31.2620 759412.4470 2.1247 2.1694 PRESSURE: 1450800 -155.392 -124.318 23.1919 -124.318 57.4376 136.386 23.1923 136.386 103.794 GPRESSURE: 1450800 -92.386 -87.0921 52.8839 -106.781 96.0644 206.553 91.6315 125.923 104.51 PRESSAVG: 1450800 25.601 -26.0715 -23.1024 -26.0715 -2.22097 -23.3842 -23.1024 -23.3841 4.80643 GPRESSAVG: 1450800 26.428 -25.5348 -23.1338 -26.9369 -1.6115 -23.3552 -21.4333 -22.0843 3.53265 TIMING: 1450800 CPU: 4655.03, 0.00317642/step Wall: 4655.03, 0.00317642/step, 3.1316 hours remaining, 230.800781 MB of memory in use. ENERGY: 1450800 3990.4307 20312.8319 14497.8230 241.8847 -203230.5987 2573.0948 0.0000 0.0000 52183.2646 -109431.2690 299.8979 -161614.5335 -109072.7710 298.9698 1.9467 36.0628 761076.5159 9.3955 9.4497 PRESSURE: 1451000 -224.648 149.958 -149.87 149.957 -22.3191 98.5499 -149.871 98.5501 -608.402 GPRESSURE: 1451000 -143.179 181.217 -151.696 72.0086 -65.874 196.691 -95.9131 69.9653 -578.313 PRESSAVG: 1451000 29.3782 -35.6556 -0.894371 -35.6557 -16.3156 29.5711 -0.894333 29.571 -4.27197 GPRESSAVG: 1451000 30.4626 -34.0322 -2.19683 -36.2202 -19.2275 31.2884 -1.5782 27.3279 -2.90373 TIMING: 1451000 CPU: 4655.67, 0.00320135/step Wall: 4655.67, 0.00320135/step, 3.156 hours remaining, 230.800781 MB of memory in use. ENERGY: 1451000 3995.2697 20612.6715 14554.4462 233.7207 -203151.8874 2352.6201 0.0000 0.0000 52116.1532 -109287.0060 299.5122 -161403.1591 -108932.0836 299.2248 -285.1229 -262.4552 761421.0935 2.9302 2.7771 PRESSURE: 1451200 -31.8838 73.0836 -100.527 73.0839 -83.7732 -143.569 -100.527 -143.569 -534.722 GPRESSURE: 1451200 30.8443 119.79 -137.718 148.496 -75.6782 -98.3985 -103.583 -127.202 -504.023 PRESSAVG: 1451200 37.7221 7.38161 33.7363 7.38154 -70.821 -4.67005 33.7363 -4.67003 -4.31596 GPRESSAVG: 1451200 37.0481 6.44852 36.343 8.83464 -68.7185 -6.19586 32.091 -3.609 -4.97539 TIMING: 1451200 CPU: 4656.31, 0.00318012/step Wall: 4656.31, 0.00318012/step, 3.13489 hours remaining, 230.800781 MB of memory in use. ENERGY: 1451200 4096.1660 20438.8849 14478.3563 233.1751 -202936.7352 2220.7778 0.0000 0.0000 52102.7795 -109366.5956 299.4354 -161469.3751 -109000.2496 299.6459 -216.7931 -182.9522 761515.2133 -12.4716 -12.2153 PRESSURE: 1451400 -552.363 -106.03 27.832 -106.03 -120.874 83.2666 27.832 83.2669 -249.254 GPRESSURE: 1451400 -574.397 -25.5407 79.8471 54.0993 -43.3108 41.8503 91.2225 50.3787 -214.656 PRESSAVG: 1451400 -25.3577 11.4261 22.8514 11.4261 15.7376 27.7942 22.8514 27.7942 3.6943 GPRESSAVG: 1451400 -25.8108 10.9397 22.0803 10.7879 16.5604 28.4586 23.7666 29.3846 3.65784 TIMING: 1451400 CPU: 4656.95, 0.00319453/step Wall: 4656.95, 0.00319452/step, 3.14891 hours remaining, 230.800781 MB of memory in use. ENERGY: 1451400 4078.1489 20293.3278 14523.9087 267.7162 -202767.7817 2310.9999 0.0000 0.0000 52065.8093 -109227.8710 299.2229 -161293.6803 -108863.4226 299.4169 -307.4969 -277.4546 763680.6115 -1.9753 -1.8642 PRESSURE: 1451600 404.339 -171.117 -25.8014 -171.118 266.594 41.287 -25.8013 41.2869 284.098 GPRESSURE: 1451600 484.653 -206.674 16.7497 -152.041 199.297 15.5765 -12.8512 102.157 331.184 PRESSAVG: 1451600 19.1127 -11.2182 -5.08535 -11.2182 -1.36462 43.4514 -5.08534 43.4513 14.522 GPRESSAVG: 1451600 18.7238 -10.632 -6.26544 -12.5909 -2.65702 43.0101 -3.5076 43.3885 15.4016 TIMING: 1451600 CPU: 4657.59, 0.00318653/step Wall: 4657.59, 0.00318653/step, 3.14086 hours remaining, 230.800781 MB of memory in use. ENERGY: 1451600 3988.8540 20364.8215 14506.2235 254.3410 -202750.8850 2658.3702 0.0000 0.0000 51813.3803 -109164.8945 297.7722 -160978.2748 -108804.0375 299.6368 318.3437 338.3779 762144.8755 10.7567 10.4894 PRESSURE: 1451800 38.0155 -38.1097 185.836 -38.1099 -386.014 80.647 185.835 80.6465 184.044 GPRESSURE: 1451800 -32.9311 36.2585 180.955 7.2469 -235.842 27.5686 136.201 89.11 189.311 PRESSAVG: 1451800 2.79751 26.3886 22.6549 26.3886 37.0306 -18.475 22.6549 -18.475 -8.62358 GPRESSAVG: 1451800 2.46718 24.1836 21.8208 27.9299 36.4403 -19.4999 23.0672 -17.7947 -8.2314 TIMING: 1451800 CPU: 4658.22, 0.00318674/step Wall: 4658.22, 0.00318674/step, 3.14089 hours remaining, 230.800781 MB of memory in use. ENERGY: 1451800 3982.9917 20513.1459 14475.9533 230.4475 -202754.0865 2316.3281 0.0000 0.0000 52089.9952 -109145.2248 299.3619 -161235.2200 -108780.2037 299.5174 -54.6515 -26.4875 760317.5587 10.4015 10.2254 PRESSURE: 1452000 271.125 88.22 -106.289 88.2205 -52.2123 -69.632 -106.289 -69.6317 -25.9513 GPRESSURE: 1452000 240.123 129.304 -145.689 25.9113 -32.354 -60.3784 -232.086 -15.6491 75.7388 PRESSAVG: 1452000 -6.53626 -21.5108 34.1357 -21.5108 0.0437585 7.71707 34.1357 7.71712 30.5721 GPRESSAVG: 1452000 -6.19494 -21.2868 33.9173 -21.4188 0.648175 7.92036 32.5104 6.24084 29.7987 TIMING: 1452000 CPU: 4658.86, 0.00317262/step Wall: 4658.86, 0.00317262/step, 3.1268 hours remaining, 230.800781 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: 1452000 3977.5305 20381.4833 14525.4702 242.7966 -202920.9523 2566.6488 0.0000 0.0000 52205.7566 -109021.2662 300.0272 -161227.0229 -108664.9196 299.9941 64.3205 94.5026 762556.5169 8.0265 8.0840 PRESSURE: 1452200 -108.188 -10.9661 -172.802 -10.9663 -200.312 188.24 -172.802 188.242 358.436 GPRESSURE: 1452200 -142.863 26.9491 -140.456 27.3763 -81.1098 212.873 -88.2786 169.833 351.995 PRESSAVG: 1452200 -60.9712 -12.6923 -5.88663 -12.6923 31.0239 31.1619 -5.88662 31.1619 9.4653 GPRESSAVG: 1452200 -61.9512 -12.8265 -4.44571 -12.2331 32.3638 29.7985 -4.27781 31.4026 9.3396 TIMING: 1452200 CPU: 4659.49, 0.00316694/step Wall: 4659.49, 0.00316694/step, 3.12101 hours remaining, 230.800781 MB of memory in use. ENERGY: 1452200 3982.7140 20604.0844 14474.1841 243.9578 -203309.0155 2713.0888 0.0000 0.0000 52224.4734 -109066.5130 300.1348 -161290.9864 -108720.3772 299.8835 16.6454 42.6738 762404.9306 -6.8273 -6.7493 LDB: ============= START OF LOAD BALANCING ============== 4671.92 LDB: ============== END OF LOAD BALANCING =============== 4671.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4671.92 LDB: ============= START OF LOAD BALANCING ============== 4672.24 LDB: Largest compute 7074 load 0.036832 is 18.8% of average load 0.195399 LDB: Average compute 0.004380 is 2.2% of average load 0.195399 LDB: TIME 4672.24 LOAD: AVG 0.195399 MAX 0.217492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.012 MB LDB: TIME 4672.24 LOAD: AVG 0.195399 MAX 0.217492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.109 MB LDB: TIME 4672.24 LOAD: AVG 0.195399 MAX 0.217492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.109 MB LDB: ============== END OF LOAD BALANCING =============== 4672.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4672.25 PRESSURE: 1452400 -270.174 -35.7561 199.443 -35.7562 -271.911 -110.786 199.444 -110.786 -384.082 GPRESSURE: 1452400 -194.31 -44.9244 222.865 -68.0286 -247.364 -74.2788 178.449 -217.671 -399.924 PRESSAVG: 1452400 17.4869 -33.5141 67.0984 -33.514 10.5439 6.94803 67.0984 6.94801 -23.1231 GPRESSAVG: 1452400 18.4931 -32.9498 67.9537 -35.0411 9.77521 7.86822 64.5564 8.23723 -23.3519 TIMING: 1452400 CPU: 4660.14, 0.00326062/step Wall: 4660.14, 0.00326062/step, 3.21316 hours remaining, 232.597656 MB of memory in use. ENERGY: 1452400 3938.3511 20565.5184 14556.5038 252.2799 -202717.7862 2220.5596 0.0000 0.0000 52144.8384 -109039.7350 299.6771 -161184.5735 -108663.2074 299.4761 -308.7222 -280.5324 762639.7227 1.6359 1.6388 PRESSURE: 1452600 -170.41 49.4973 162.523 49.4978 -74.6417 -80.6654 162.522 -80.6661 -246.625 GPRESSURE: 1452600 -156.933 -5.09384 56.5118 -26.9 -61.1947 -67.9575 120.98 -52.1867 -188.597 PRESSAVG: 1452600 -3.59284 -2.94077 47.5352 -2.94078 -13.5495 53.0627 47.5352 53.0626 -8.87396 GPRESSAVG: 1452600 -3.94252 -2.83944 47.7635 -1.71232 -14.1257 54.1767 48.554 51.2374 -8.64168 TIMING: 1452600 CPU: 4660.78, 0.00317877/step Wall: 4660.78, 0.00317877/step, 3.13232 hours remaining, 232.937500 MB of memory in use. ENERGY: 1452600 4058.7634 20547.7394 14557.8672 262.2225 -202673.7915 2206.9973 0.0000 0.0000 51900.0051 -109140.1966 298.2700 -161040.2017 -108781.5207 300.0471 -163.8924 -135.5748 761373.6755 -8.6721 -8.9033 PRESSURE: 1452800 -24.9351 144.971 107.556 144.971 0.293703 259.31 107.556 259.31 -72.4168 GPRESSURE: 1452800 -32.8133 143.85 82.857 16.6983 123.424 188.799 26.2508 141.47 -100.113 PRESSAVG: 1452800 1.27935 4.00416 13.1006 4.00417 -12.0462 50.4398 13.1007 50.4398 -4.67652 GPRESSAVG: 1452800 1.5244 3.24406 11.0487 3.41703 -11.8011 50.791 14.0698 50.0712 -4.96941 TIMING: 1452800 CPU: 4661.41, 0.0031699/step Wall: 4661.41, 0.0031699/step, 3.12341 hours remaining, 232.937500 MB of memory in use. ENERGY: 1452800 4087.5084 20641.7095 14537.2539 245.5614 -202934.3595 2494.5247 0.0000 0.0000 52024.0754 -108903.7261 298.9831 -160927.8015 -108551.7427 299.9119 -32.3527 -3.1675 762274.4397 -5.1478 -5.0821 PRESSURE: 1453000 -305.467 -120.381 -61.0203 -120.38 149.454 123.133 -61.0203 123.133 -23.847 GPRESSURE: 1453000 -267.06 -141.077 -63.2083 -109.424 143.491 153.423 -72.8246 129.16 52.716 PRESSAVG: 1453000 4.25469 19.2995 6.07048 19.2996 51.2302 -20.824 6.07041 -20.824 5.0333 GPRESSAVG: 1453000 4.62148 21.4942 7.09507 19.1653 50.8458 -20.8036 2.98956 -20.1256 4.91496 TIMING: 1453000 CPU: 4662.04, 0.00315898/step Wall: 4662.04, 0.00315898/step, 3.11247 hours remaining, 232.937500 MB of memory in use. ENERGY: 1453000 4007.7935 20346.7687 14562.2014 239.6177 -202635.9469 2328.9281 0.0000 0.0000 51929.0436 -109221.5940 298.4369 -161150.6376 -108861.7076 300.2253 -59.9531 -23.6176 761543.6536 20.1727 20.1274 PRESSURE: 1453200 -64.617 -99.5893 97.7298 -99.5894 -238.593 -136.054 97.7303 -136.055 -116.293 GPRESSURE: 1453200 -75.3072 -126.932 49.3482 -34.9523 -187.302 -253.211 108.602 -84.7964 -64.0348 PRESSAVG: 1453200 -11.8729 -19.8247 31.8569 -19.8247 74.0702 68.386 31.857 68.3859 24.3463 GPRESSAVG: 1453200 -12.8912 -21.0683 31.6398 -20.0773 74.355 67.9721 33.6691 67.3579 25.1097 TIMING: 1453200 CPU: 4662.68, 0.00315181/step Wall: 4662.68, 0.00315181/step, 3.10523 hours remaining, 232.937500 MB of memory in use. ENERGY: 1453200 3926.2990 20423.0742 14520.6756 257.6114 -203003.1898 2377.9249 0.0000 0.0000 52130.7425 -109366.8624 299.5961 -161497.6049 -109002.0546 299.4138 -139.8342 -108.8812 762562.5349 28.8479 28.8578 PRESSURE: 1453400 256.296 69.0254 -66.2425 69.0254 117.415 -160.77 -66.2432 -160.77 -180.307 GPRESSURE: 1453400 219.213 63.7612 -23.6262 -41.2343 182.583 -170.162 -61.7061 -207.526 -126.166 PRESSAVG: 1453400 18.271 -6.88463 9.56614 -6.88456 -1.56907 70.0345 9.56614 70.0346 26.0395 GPRESSAVG: 1453400 19.6253 -7.03939 9.76262 -7.81225 -2.49202 70.1376 9.64334 72.775 26.1786 TIMING: 1453400 CPU: 4663.31, 0.00316606/step Wall: 4663.31, 0.00316606/step, 3.1191 hours remaining, 232.937500 MB of memory in use. ENERGY: 1453400 3991.8427 20656.8146 14464.1077 246.1048 -203077.2276 2534.0153 0.0000 0.0000 52015.8421 -109168.5004 298.9358 -161184.3425 -108824.6966 299.7545 64.4680 91.8768 762932.6254 14.2472 14.4373 PRESSURE: 1453600 -190.474 139.711 148.801 139.711 -296.47 209.045 148.802 209.045 27.2066 GPRESSURE: 1453600 -98.393 71.9144 239.604 31.2656 -257.866 259.365 66.6688 127.638 -3.99811 PRESSAVG: 1453600 -30.6607 30.6654 36.538 30.6654 68.0435 71.1229 36.5381 71.123 -1.69875 GPRESSAVG: 1453600 -31.2722 27.907 34.3549 30.3588 70.1857 71.4632 37.7311 69.042 -2.88659 TIMING: 1453600 CPU: 4663.94, 0.0031644/step Wall: 4663.94, 0.0031644/step, 3.11728 hours remaining, 232.937500 MB of memory in use. ENERGY: 1453600 3902.1402 20481.2587 14457.9386 220.9401 -203100.3654 2543.8347 0.0000 0.0000 52108.3977 -109385.8555 299.4677 -161494.2531 -109024.6839 299.8964 -153.2457 -120.0855 762507.6520 11.8947 12.0090 PRESSURE: 1453800 254.944 -32.4394 -181.19 -32.4403 26.2089 -106.899 -181.191 -106.898 32.686 GPRESSURE: 1453800 310.148 15.4476 -147.357 -11.0656 87.5457 -249.649 -56.913 -68.4094 27.5008 PRESSAVG: 1453800 6.02405 11.6148 38.5876 11.6149 -37.5288 -0.660526 38.5876 -0.660548 -3.29445 GPRESSAVG: 1453800 6.64842 14.105 40.4019 11.8809 -38.0712 -2.14336 37.8771 -0.888135 -3.13278 TIMING: 1453800 CPU: 4664.57, 0.00315967/step Wall: 4664.57, 0.00315967/step, 3.11245 hours remaining, 233.007812 MB of memory in use. ENERGY: 1453800 3921.1271 20599.5696 14489.6440 252.0796 -203623.0379 2543.8293 0.0000 0.0000 52095.8263 -109720.9620 299.3954 -161816.7883 -109363.3057 299.2115 104.6130 141.7316 761933.8041 -11.5997 -11.5185 PRESSURE: 1454000 10.1357 -78.0895 -61.7334 -78.0897 302.021 -170.093 -61.7338 -170.093 30.2338 GPRESSURE: 1454000 72.7699 -108.35 -74.7003 -45.3284 341.876 -64.6148 -106.308 -153.45 15.3204 PRESSAVG: 1454000 2.18352 17.0709 14.5174 17.0709 20.048 45.842 14.5174 45.842 8.71452 GPRESSAVG: 1454000 3.11772 17.9242 13.9481 17.8991 17.4273 48.7215 14.879 46.7139 10.6954 TIMING: 1454000 CPU: 4665.2, 0.00315557/step Wall: 4665.2, 0.00315557/step, 3.10824 hours remaining, 233.007812 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: 1454000 3982.9392 20515.4809 14434.4051 261.0979 -203603.2355 2696.6833 0.0000 0.0000 51671.1587 -110041.4705 296.9549 -161712.6292 -109677.0151 298.6820 114.1300 143.3222 761400.0174 10.3153 10.4135 PRESSURE: 1454200 -91.8659 -35.8002 -149.941 -35.8013 -114.521 -43.6239 -149.941 -43.6251 -69.4343 GPRESSURE: 1454200 -100.363 -21.0788 -246.331 -49.0765 63.4827 -50.2828 -44.4071 -91.0048 -144.702 PRESSAVG: 1454200 -10.7502 -21.3703 45.5079 -21.3703 1.56261 -16.207 45.5079 -16.207 4.67637 GPRESSAVG: 1454200 -12.3863 -23.3543 46.6972 -23.0332 3.75512 -17.7013 44.5631 -16.8213 3.35757 TIMING: 1454200 CPU: 4665.83, 0.00315169/step Wall: 4665.83, 0.00315169/step, 3.10423 hours remaining, 233.007812 MB of memory in use. ENERGY: 1454200 4012.4127 20460.8143 14456.6330 245.5380 -203413.4833 2392.5925 0.0000 0.0000 51775.0430 -110070.4497 297.5519 -161845.4928 -109719.7495 298.1008 -91.9403 -60.5274 759483.7750 -1.5037 -1.7579 PRESSURE: 1454400 -91.3006 -180.361 77.0238 -180.361 -193.524 -108.999 77.0237 -108.999 143.69 GPRESSURE: 1454400 -95.1433 -125.164 -11.7411 -85.3211 -199.112 -71.3415 -34.2301 -167.152 241.362 PRESSAVG: 1454400 35.8992 -40.3646 -42.563 -40.3646 -36.4316 -4.78832 -42.5629 -4.78822 7.33433 GPRESSAVG: 1454400 35.3129 -38.3613 -42.1961 -38.5582 -36.9546 -3.01916 -45.1176 -4.66963 8.09136 TIMING: 1454400 CPU: 4666.47, 0.00316539/step Wall: 4666.47, 0.00316539/step, 3.11756 hours remaining, 233.007812 MB of memory in use. ENERGY: 1454400 4055.7852 20394.2999 14463.6736 279.9260 -203338.1721 2354.4116 0.0000 0.0000 52002.5766 -109787.4993 298.8595 -161790.0759 -109423.2490 298.2267 -47.0449 -17.6309 760689.5725 2.2673 2.1499 PRESSURE: 1454600 -104.805 -162.949 1.94259 -162.948 144.18 -1.29683 1.94343 -1.29685 -580.682 GPRESSURE: 1454600 -54.9659 -200.78 -18.9665 -229.609 195.421 74.3971 -4.73805 -45.9882 -578.537 PRESSAVG: 1454600 -62.9864 -27.91 -13.4422 -27.9099 84.0959 -66.8982 -13.4422 -66.8981 -7.57862 GPRESSAVG: 1454600 -60.9753 -29.594 -15.5597 -28.963 84.3992 -69.7491 -12.6631 -67.6562 -9.23474 TIMING: 1454600 CPU: 4667.1, 0.00315365/step Wall: 4667.1, 0.00315365/step, 3.10582 hours remaining, 233.007812 MB of memory in use. ENERGY: 1454600 4031.7007 20489.5335 14539.7884 249.5114 -203310.3034 2561.5406 0.0000 0.0000 51688.6275 -109749.6014 297.0553 -161438.2289 -109389.2358 298.3383 -180.4357 -146.0270 760362.9610 4.5103 4.7297 PRESSURE: 1454800 65.2035 161.217 -101.944 161.217 -16.7516 -76.6062 -101.944 -76.6069 -74.3393 GPRESSURE: 1454800 104.81 58.2866 -30.6757 196.152 27.8544 42.8635 -124.573 -150.547 -89.4188 PRESSAVG: 1454800 -15.0236 -24.0251 -15.0415 -24.0251 19.1354 -32.5698 -15.0415 -32.5697 8.33234 GPRESSAVG: 1454800 -16.1416 -24.397 -14.4628 -21.8627 20.159 -30.4917 -13.1301 -33.8896 9.09385 TIMING: 1454800 CPU: 4667.73, 0.00314549/step Wall: 4667.73, 0.00314549/step, 3.09761 hours remaining, 233.007812 MB of memory in use. ENERGY: 1454800 3913.7241 20379.3023 14589.8679 228.4485 -203098.2998 2327.6135 0.0000 0.0000 52016.9786 -109642.3649 298.9423 -161659.3435 -109277.3009 298.5779 -8.6291 14.4151 761666.3605 4.1481 4.3704 PRESSURE: 1455000 175.703 -82.8442 45.7105 -82.8443 198.558 -282.848 45.7098 -282.847 234.544 GPRESSURE: 1455000 182.12 -17.6827 99.1523 -40.6646 214.523 -334.004 55.6326 -149.503 298.784 PRESSAVG: 1455000 -24.5027 -28.1339 -28.1609 -28.1338 -4.028 -19.8581 -28.1609 -19.8581 -4.39516 GPRESSAVG: 1455000 -23.6699 -27.651 -26.5441 -29.3622 -5.03037 -20.8939 -29.4911 -20.2563 -4.47444 TIMING: 1455000 CPU: 4668.36, 0.00316594/step Wall: 4668.36, 0.00316594/step, 3.11757 hours remaining, 233.007812 MB of memory in use. ENERGY: 1455000 3995.5475 20550.3601 14528.7982 237.6889 -203523.7314 2606.3446 0.0000 0.0000 51900.8023 -109704.1897 298.2746 -161604.9920 -109350.5831 298.5849 202.9352 231.8093 761850.1775 -10.9753 -11.0582 PRESSURE: 1455200 -204.885 -245.626 -131.835 -245.626 25.1209 -60.35 -131.834 -60.3506 -457.785 GPRESSURE: 1455200 -147.975 -256.254 -87.3396 -261.565 18.4258 -51.6941 -155.725 -142.179 -421.635 PRESSAVG: 1455200 -30.0312 -55.7212 -28.4074 -55.7212 22.5169 -46.3331 -28.4073 -46.3331 -3.55649 GPRESSAVG: 1455200 -30.685 -55.731 -28.8832 -53.5787 23.5557 -47.0331 -28.9095 -43.7046 -4.15967 TIMING: 1455200 CPU: 4669, 0.0031886/step Wall: 4669, 0.0031886/step, 3.13971 hours remaining, 233.007812 MB of memory in use. ENERGY: 1455200 4045.5463 20581.5713 14635.7833 244.3524 -203482.2500 2473.2426 0.0000 0.0000 51846.8612 -109654.8930 297.9646 -161501.7542 -109301.6234 298.3186 -212.5164 -183.7282 760281.3594 -3.6903 -3.7630 PRESSURE: 1455400 225.226 -28.2267 -226.655 -28.2264 -33.4815 -93.5342 -226.655 -93.5336 88.5177 GPRESSURE: 1455400 276.972 -77.461 -244.439 -152.177 -43.7888 -132.615 -95.0618 -85.8349 118.217 PRESSAVG: 1455400 3.61335 6.83493 -8.93023 6.83501 13.1925 32.0783 -8.93027 32.0784 0.912256 GPRESSAVG: 1455400 4.01041 6.85142 -9.76723 4.17734 12.0527 33.4617 -7.63073 31.0664 1.66182 TIMING: 1455400 CPU: 4669.65, 0.00324393/step Wall: 4669.65, 0.00324393/step, 3.19401 hours remaining, 233.007812 MB of memory in use. ENERGY: 1455400 3982.0451 20576.5754 14593.6696 228.0626 -203464.4689 2596.4518 0.0000 0.0000 52076.4156 -109411.2488 299.2839 -161487.6644 -109058.4678 299.2463 93.4207 117.1332 760147.1444 5.9060 5.9083 PRESSURE: 1455600 -39.5142 40.3377 -157.091 40.3372 40.492 157.265 -157.091 157.266 -246.219 GPRESSURE: 1455600 -58.9195 15.9556 -147.22 -39.7544 95.0176 78.3314 -11.958 122.823 -203.947 PRESSAVG: 1455600 -51.23 -35.3403 -21.6414 -35.3402 26.2273 20.3796 -21.6414 20.3796 7.61802 GPRESSAVG: 1455600 -51.8318 -36.9535 -22.1705 -32.5895 25.9851 18.9396 -20.5493 19.6325 8.22391 TIMING: 1455600 CPU: 4670.28, 0.00315594/step Wall: 4670.28, 0.00315593/step, 3.10719 hours remaining, 233.007812 MB of memory in use. ENERGY: 1455600 4038.1023 20618.7747 14541.4937 240.5497 -203385.6119 2613.7023 0.0000 0.0000 51816.0584 -109516.9308 297.7876 -161332.9892 -109163.9359 299.4392 -81.7471 -55.9495 761868.3647 -5.7949 -5.8743 PRESSURE: 1455800 447.144 61.6483 47.3932 61.6485 307.611 -9.21106 47.3939 -9.2101 110.737 GPRESSURE: 1455800 510.219 36.8091 13.3975 172.726 340.187 29.2767 78.8384 235.836 98.5203 PRESSAVG: 1455800 23.7194 -31.6365 8.37752 -31.6365 3.22801 -12.1505 8.37753 -12.1505 -25.9772 GPRESSAVG: 1455800 24.6334 -30.1838 10.1538 -34.6812 3.97034 -10.8232 7.172 -13.0151 -27.5018 TIMING: 1455800 CPU: 4670.91, 0.00315875/step Wall: 4670.91, 0.00315875/step, 3.10979 hours remaining, 233.007812 MB of memory in use. ENERGY: 1455800 3957.1073 20515.9926 14503.2542 247.0103 -203476.6084 2825.0374 0.0000 0.0000 51823.9619 -109604.2447 297.8330 -161428.2065 -109249.4215 299.3184 288.4973 316.3089 760935.6569 0.3234 0.3673 PRESSURE: 1456000 -7.28095 30.4977 -87.8095 30.4986 -79.7853 -65.5657 -87.8105 -65.5666 27.5303 GPRESSURE: 1456000 -3.76009 157.319 -190.229 18.2879 -82.0197 29.168 57.3277 -133.857 98.3666 PRESSAVG: 1456000 4.67467 -51.4152 18.7433 -51.4152 23.2785 11.4704 18.7432 11.4703 0.2842 GPRESSAVG: 1456000 4.4485 -49.8597 16.7895 -51.8497 22.1642 10.4278 19.0519 12.07 1.19296 TIMING: 1456000 CPU: 4671.54, 0.00313594/step Wall: 4671.54, 0.00313594/step, 3.08716 hours remaining, 233.007812 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: 1456000 3919.9556 20427.9689 14521.2141 264.4409 -203615.5129 2624.3193 0.0000 0.0000 52148.9830 -109708.6311 299.7009 -161857.6141 -109353.9530 298.9878 -19.8453 4.1956 763706.4458 9.4125 9.2686 PRESSURE: 1456200 -261.206 -15.6913 -43.5393 -15.6909 49.4027 -294.391 -43.5393 -294.391 -193.277 GPRESSURE: 1456200 -90.8497 9.71444 -110.176 -35.3602 18.2833 -211.776 -11.3621 -294.378 -224.579 PRESSAVG: 1456200 -28.0898 -76.9306 -35.0916 -76.9306 43.0637 -29.6874 -35.0916 -29.6874 24.3891 GPRESSAVG: 1456200 -27.5611 -79.0546 -35.9274 -75.7068 43.2402 -28.9285 -35.0343 -30.5815 23.6521 TIMING: 1456200 CPU: 4672.17, 0.00315127/step Wall: 4672.17, 0.00315127/step, 3.10208 hours remaining, 233.007812 MB of memory in use. ENERGY: 1456200 4029.7168 20299.4883 14510.8925 251.1412 -203163.2708 2346.4951 0.0000 0.0000 51878.1604 -109847.3765 298.1445 -161725.5369 -109489.6665 298.3576 -135.0267 -99.0484 762286.5298 13.1210 13.1104 LDB: ============= START OF LOAD BALANCING ============== 4684.59 LDB: ============== END OF LOAD BALANCING =============== 4684.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4684.59 LDB: ============= START OF LOAD BALANCING ============== 4684.91 LDB: Largest compute 7074 load 0.034754 is 17.8% of average load 0.195251 LDB: Average compute 0.004413 is 2.3% of average load 0.195251 LDB: TIME 4684.91 LOAD: AVG 0.195251 MAX 0.213197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.242 MB LDB: TIME 4684.92 LOAD: AVG 0.195251 MAX 0.213197 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.445 MB LDB: TIME 4684.92 LOAD: AVG 0.195251 MAX 0.213197 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.445 MB LDB: ============== END OF LOAD BALANCING =============== 4684.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4684.92 PRESSURE: 1456400 48.4294 -149.744 -186.686 -149.744 -73.5152 67.7186 -186.686 67.718 150.734 GPRESSURE: 1456400 114.837 -87.1702 -122.984 -131.183 -71.1501 84.5796 -178.369 95.503 183.256 PRESSAVG: 1456400 -29.6581 -7.62301 -56.0117 -7.623 -7.3223 -62.6543 -56.0118 -62.6543 1.26472 GPRESSAVG: 1456400 -29.8135 -6.75437 -53.6647 -7.19842 -6.16502 -61.9408 -56.6177 -62.2052 0.519731 TIMING: 1456400 CPU: 4672.82, 0.00324132/step Wall: 4672.82, 0.00324132/step, 3.19053 hours remaining, 231.046875 MB of memory in use. ENERGY: 1456400 3949.7224 20344.5620 14521.2836 278.4534 -203499.2201 2711.6044 0.0000 0.0000 51889.0857 -109804.5087 298.2073 -161693.5944 -109451.1743 298.2423 41.8827 75.6476 761822.8948 -11.9052 -11.8196 PRESSURE: 1456600 49.6356 17.0955 24.0777 17.0955 389.888 -74.8632 24.0781 -74.8648 207.191 GPRESSURE: 1456600 49.9655 -1.13049 -8.67689 -92.9195 491.92 -136.288 8.18867 -76.751 187.822 PRESSAVG: 1456600 20.4499 -50.4009 -4.27498 -50.4009 17.0112 -2.72559 -4.27496 -2.7255 23.1062 GPRESSAVG: 1456600 20.4837 -51.2236 -4.15038 -50.4439 16.5796 -1.87223 -4.52899 -3.66633 23.8032 TIMING: 1456600 CPU: 4673.45, 0.00318798/step Wall: 4673.45, 0.00318798/step, 3.13786 hours remaining, 231.187500 MB of memory in use. ENERGY: 1456600 4017.2557 20424.0485 14544.8874 258.9949 -203940.8643 2948.0398 0.0000 0.0000 52161.6473 -109585.9905 299.7737 -161747.6378 -109232.7616 298.9239 215.5715 243.2358 761680.5638 20.1891 20.2888 PRESSURE: 1456800 227.459 -34.5785 186.049 -34.5779 -143.187 147.082 186.049 147.082 74.3929 GPRESSURE: 1456800 241.942 -34.8094 177.856 -40.4808 -118.785 118.219 148.054 150.247 111.158 PRESSAVG: 1456800 -31.4816 -70.6377 13.9111 -70.6378 42.999 -4.27329 13.9111 -4.27328 -22.3316 GPRESSAVG: 1456800 -31.5018 -70.4398 12.9088 -70.6766 42.4719 -4.07155 14.1686 -4.39134 -22.1841 TIMING: 1456800 CPU: 4674.09, 0.00316325/step Wall: 4674.09, 0.00316325/step, 3.11334 hours remaining, 231.187500 MB of memory in use. ENERGY: 1456800 4034.3315 20418.0801 14564.1680 248.0160 -203284.2077 2640.0109 0.0000 0.0000 51661.1968 -109718.4044 296.8976 -161379.6012 -109369.5476 298.6206 52.8886 78.1050 760974.9425 -3.6047 -3.7380 PRESSURE: 1457000 -52.1094 -171.282 -47.051 -171.282 -182.852 26.7531 -47.0504 26.7527 229.138 GPRESSURE: 1457000 -50.8672 -119.517 -16.1092 -122.173 -52.3058 27.5424 29.1657 146.11 178.865 PRESSAVG: 1457000 19.3723 -76.4278 33.0965 -76.4279 -10.2719 -18.0279 33.0965 -18.0278 13.3171 GPRESSAVG: 1457000 18.3473 -74.8852 32.6602 -76.7005 -8.92855 -19.3968 33.1141 -16.0766 13.0291 TIMING: 1457000 CPU: 4674.72, 0.00314865/step Wall: 4674.72, 0.00314865/step, 3.0988 hours remaining, 231.187500 MB of memory in use. ENERGY: 1457000 3978.7935 20488.2330 14546.3258 222.2522 -203085.0149 2374.0088 0.0000 0.0000 51695.2908 -109780.1108 297.0935 -161475.4016 -109431.9369 298.0194 -1.9411 25.2306 761436.6084 7.4725 7.4826 PRESSURE: 1457200 322.904 -93.6154 173.665 -93.6161 72.5457 84.3426 173.665 84.3435 61.6012 GPRESSURE: 1457200 346.525 -140.129 120.25 -76.3663 85.9152 57.4 44.2394 -49.045 111.593 PRESSAVG: 1457200 4.33798 -4.43983 51.8965 -4.43981 -0.0863397 12.7654 51.8965 12.7654 -10.5453 GPRESSAVG: 1457200 5.69757 -6.68394 52.1631 -2.87525 -0.462986 13.3385 52.6245 11.3138 -10.8428 TIMING: 1457200 CPU: 4675.35, 0.00318573/step Wall: 4675.35, 0.00318573/step, 3.13511 hours remaining, 231.187500 MB of memory in use. ENERGY: 1457200 3952.4232 20329.9309 14568.1103 244.5315 -203043.4780 2485.8061 0.0000 0.0000 51832.2332 -109630.4428 297.8806 -161462.6760 -109274.3763 298.2036 152.3504 181.3446 759035.5713 -2.0979 -1.8694 PRESSURE: 1457400 54.073 48.1377 230.331 48.1383 173.297 -0.264351 230.331 -0.266453 219.928 GPRESSURE: 1457400 157.17 -36.1338 154.612 -7.56174 185.575 -28.8259 270.048 69.1785 188.569 PRESSAVG: 1457400 -37.7265 -45.3203 16.6639 -45.3203 -7.28962 -41.2013 16.6639 -41.2014 -2.35504 GPRESSAVG: 1457400 -37.697 -43.8095 14.8775 -46.279 -7.7786 -42.7167 15.3953 -41.6048 -1.79954 TIMING: 1457400 CPU: 4675.99, 0.00318485/step Wall: 4675.99, 0.00318485/step, 3.13407 hours remaining, 231.332031 MB of memory in use. ENERGY: 1457400 4009.5534 20422.4612 14544.7790 232.8774 -203198.4319 2559.7214 0.0000 0.0000 51861.9948 -109567.0446 298.0516 -161429.0395 -109215.0598 298.7285 149.0993 177.1047 759217.8903 -15.7904 -15.7584 PRESSURE: 1457600 -423.729 60.2464 103.769 60.2464 300.391 -45.3861 103.77 -45.3853 147.98 GPRESSURE: 1457600 -359.717 4.11755 119.881 198.286 272.659 -68.6654 136.082 -95.5355 191.264 PRESSAVG: 1457600 -1.99582 -18.5916 -1.80384 -18.5917 -6.63555 -28.9309 -1.80386 -28.9309 13.7609 GPRESSAVG: 1457600 -1.92281 -18.2114 -2.24801 -15.7157 -7.29033 -25.5647 -1.84825 -30.0185 14.0914 TIMING: 1457600 CPU: 4676.63, 0.00318858/step Wall: 4676.63, 0.00318858/step, 3.13757 hours remaining, 231.332031 MB of memory in use. ENERGY: 1457600 3925.8083 20425.2266 14425.3084 241.9585 -203041.5488 2369.8659 0.0000 0.0000 51815.9101 -109837.4708 297.7867 -161653.3809 -109479.8944 298.6675 8.2140 34.7350 760647.6746 1.7098 1.6261 PRESSURE: 1457800 272.545 84.4325 -0.104318 84.4323 169.018 -137.22 -0.104917 -137.219 -123.131 GPRESSURE: 1457800 331.487 134.595 5.58682 85.0145 172.257 -182.042 12.7597 -144.448 -125.261 PRESSAVG: 1457800 20.2101 -60.2217 -42.2592 -60.2218 63.0786 -91.2041 -42.2592 -91.2041 -4.55422 GPRESSAVG: 1457800 19.8011 -60.1538 -40.769 -63.1807 63.3611 -93.1789 -42.5987 -89.9986 -4.54306 TIMING: 1457800 CPU: 4677.26, 0.00316796/step Wall: 4677.26, 0.00316796/step, 3.1171 hours remaining, 231.332031 MB of memory in use. ENERGY: 1457800 3945.7626 20387.4551 14525.5533 245.8852 -203427.2160 2619.5545 0.0000 0.0000 51866.6043 -109836.4010 298.0781 -161703.0053 -109481.3166 298.5093 106.1439 126.1610 759593.9340 26.2448 26.2064 PRESSURE: 1458000 99.6924 66.8988 -69.2603 66.8983 167.725 212.094 -69.2597 212.094 -32.4618 GPRESSURE: 1458000 200.518 129.34 6.72947 63.0372 148.204 198.443 -57.4745 223.87 -23.1316 PRESSAVG: 1458000 -1.30151 -9.85347 -20.0143 -9.85347 -21.2021 -58.2568 -20.0143 -58.2568 18.1309 GPRESSAVG: 1458000 -0.904407 -8.82779 -18.9907 -9.88144 -20.5505 -59.613 -20.9946 -58.5187 17.3828 TIMING: 1458000 CPU: 4677.9, 0.00317864/step Wall: 4677.9, 0.00317864/step, 3.12743 hours remaining, 231.332031 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: 1458000 3881.1755 20377.5332 14582.4944 216.0655 -203683.7631 2674.7093 0.0000 0.0000 51826.7380 -110125.0472 297.8490 -161951.7852 -109773.8114 298.0549 78.3185 108.5301 759856.9573 -1.4576 -1.3574 PRESSURE: 1458200 432.647 -37.9259 -123.269 -37.9257 245.796 21.8448 -123.269 21.8449 -78.0435 GPRESSURE: 1458200 378.391 -69.5316 -190.4 60.1829 345.504 -29.1638 -59.7524 93.4822 -40.5446 PRESSAVG: 1458200 36.8113 -3.01212 -64.7022 -3.01217 -6.67545 -48.767 -64.7023 -48.7669 17.1277 GPRESSAVG: 1458200 35.3014 -4.34182 -66.3101 -1.09983 -5.32458 -46.9216 -62.7828 -48.7816 17.5266 TIMING: 1458200 CPU: 4678.53, 0.00315809/step Wall: 4678.53, 0.00315809/step, 3.10703 hours remaining, 231.332031 MB of memory in use. ENERGY: 1458200 3934.6887 20307.4142 14441.0367 237.1788 -203633.7714 2688.6336 0.0000 0.0000 51874.2896 -110150.5297 298.1223 -162024.8193 -109797.1260 297.8945 200.1333 227.7835 759380.0664 15.7545 15.8345 PRESSURE: 1458400 -125.257 -63.5269 123.675 -63.5272 84.2347 231.968 123.674 231.968 -246.468 GPRESSURE: 1458400 -36.0065 -133.473 170.192 -46.7423 48.9378 300.002 120.12 313.334 -213.465 PRESSAVG: 1458400 -4.24597 -15.9954 -17.96 -15.9955 31.6271 -34.8039 -17.9599 -34.8038 -4.06329 GPRESSAVG: 1458400 -4.54233 -16.2991 -16.6131 -17.0288 30.288 -34.1443 -19.7017 -35.0537 -2.80782 TIMING: 1458400 CPU: 4679.16, 0.00317737/step Wall: 4679.16, 0.00317737/step, 3.12583 hours remaining, 231.332031 MB of memory in use. ENERGY: 1458400 3964.8727 20280.7729 14497.3887 232.3628 -203213.3920 2218.1124 0.0000 0.0000 51951.3490 -110068.5333 298.5651 -162019.8824 -109711.7641 298.1106 -95.8301 -66.8446 761293.9722 7.7726 7.6460 PRESSURE: 1458600 -187.294 -26.8435 350.602 -26.8442 -36.7096 109.149 350.602 109.149 -220.45 GPRESSURE: 1458600 -157.025 67.3128 321.901 -15.792 -10.4914 181.349 326.882 180.266 -195.043 PRESSAVG: 1458600 -3.19744 2.2521 17.1933 2.25207 -14.5671 -0.910804 17.1933 -0.910844 -9.80533 GPRESSAVG: 1458600 -2.33299 2.9443 14.9099 0.78947 -14.1116 -1.28647 18.8922 0.307786 -11.0833 TIMING: 1458600 CPU: 4679.8, 0.00316793/step Wall: 4679.8, 0.00316793/step, 3.11636 hours remaining, 231.332031 MB of memory in use. ENERGY: 1458600 3984.0504 20450.0457 14513.0432 232.1178 -203030.1737 2387.1349 0.0000 0.0000 51617.2840 -109846.4977 296.6452 -161463.7817 -109496.2624 297.9256 -148.1512 -120.8531 760749.7272 -9.1900 -9.1760 PRESSURE: 1458800 8.15404 237.825 33.4567 237.825 -122.827 -21.6174 33.4565 -21.6171 173.222 GPRESSURE: 1458800 160.008 114.036 -33.3961 201.604 -184.336 -66.0488 -6.06523 16.6794 183.144 PRESSAVG: 1458800 -21.9552 -21.3401 -9.391 -21.3401 27.5695 7.36539 -9.39101 7.36542 7.69225 GPRESSAVG: 1458800 -20.9507 -20.2458 -7.92741 -21.6135 26.976 6.47593 -10.0247 6.38104 7.96292 TIMING: 1458800 CPU: 4680.43, 0.00318093/step Wall: 4680.43, 0.00318093/step, 3.12898 hours remaining, 231.332031 MB of memory in use. ENERGY: 1458800 4032.3923 20407.8099 14458.8562 245.9123 -203097.1404 2362.8671 0.0000 0.0000 52024.3472 -109564.9554 298.9846 -161589.3026 -109203.5488 298.7233 19.5163 52.9389 760491.5654 4.4355 4.6627 PRESSURE: 1459000 60.6858 -87.737 45.4739 -87.7379 103.458 -120.464 45.474 -120.463 423.401 GPRESSURE: 1459000 126.929 -93.5182 -1.43457 -227.199 37.9127 -99.6325 151.718 -190.754 504.131 PRESSAVG: 1459000 -7.07284 24.7828 -20.0309 24.7827 2.79194 -11.4562 -20.031 -11.4562 -5.01579 GPRESSAVG: 1459000 -7.25589 23.3864 -20.7693 25.9301 3.24664 -9.86938 -18.0325 -11.6006 -5.74691 TIMING: 1459000 CPU: 4681.07, 0.00318844/step Wall: 4681.07, 0.00318844/step, 3.13619 hours remaining, 231.332031 MB of memory in use. ENERGY: 1459000 3999.1658 20372.5080 14461.7774 242.1772 -202943.7918 2379.8866 0.0000 0.0000 52033.6972 -109454.5797 299.0384 -161488.2769 -109089.0311 298.7210 195.8482 222.9908 760062.5453 -3.0989 -3.2521 PRESSURE: 1459200 -149.185 -232.432 149.454 -232.431 18.4575 10.5483 149.453 10.5488 215.577 GPRESSURE: 1459200 -144.879 -174.441 166.08 -234.38 67.3212 -32.4624 32.8235 19.4998 243.277 PRESSAVG: 1459200 -14.4712 -1.40975 24.0151 -1.40977 38.232 -35.2827 24.0151 -35.2827 -20.3148 GPRESSAVG: 1459200 -13.0827 -0.139806 23.6303 -1.83148 36.9503 -36.4931 22.5838 -34.8556 -20.0733 TIMING: 1459200 CPU: 4681.71, 0.00318153/step Wall: 4681.71, 0.00318153/step, 3.12921 hours remaining, 231.332031 MB of memory in use. ENERGY: 1459200 4000.5865 20369.0342 14415.8079 250.9532 -203169.4154 2375.4238 0.0000 0.0000 52098.1176 -109659.4921 299.4086 -161757.6096 -109300.5190 298.8937 28.2832 55.2396 759356.3096 1.1487 1.2647 PRESSURE: 1459400 -139.258 6.13312 -305.882 6.13281 82.593 28.5488 -305.881 28.5476 250.465 GPRESSURE: 1459400 -71.6136 -148.41 -300.317 5.01502 47.4177 15.7638 -300.322 13.5312 281.696 PRESSAVG: 1459400 -20.6953 -2.01412 16.0311 -2.01416 -11.1355 -36.416 16.0311 -36.416 10.0607 GPRESSAVG: 1459400 -22.6822 -3.78965 18.0402 -2.11711 -9.50238 -35.6266 14.555 -37.4309 11.0546 TIMING: 1459400 CPU: 4682.34, 0.00317645/step Wall: 4682.34, 0.00317645/step, 3.12404 hours remaining, 231.332031 MB of memory in use. ENERGY: 1459400 4000.6244 20499.3278 14411.6534 233.7024 -203198.5512 2329.1264 0.0000 0.0000 51722.4828 -110001.6339 297.2498 -161724.1168 -109637.0394 297.8687 64.5999 85.8335 760437.3456 -7.2567 -7.0433 PRESSURE: 1459600 -18.1458 94.0911 -145.067 94.0912 -192.977 -91.1229 -145.066 -91.1214 23.9698 GPRESSURE: 1459600 17.0984 145.972 -94.431 85.4048 -200.717 -27.0571 -163.202 -54.0635 88.8443 PRESSAVG: 1459600 -23.2325 -2.1457 -15.8202 -2.1457 3.47411 -22.0408 -15.8202 -22.0408 -3.42735 GPRESSAVG: 1459600 -23.6764 -2.38735 -16.0924 -1.17716 4.12249 -22.8679 -13.4176 -18.7555 -3.48088 TIMING: 1459600 CPU: 4682.98, 0.00317477/step Wall: 4682.98, 0.00317477/step, 3.12221 hours remaining, 231.332031 MB of memory in use. ENERGY: 1459600 3948.1868 20587.4365 14455.8583 247.6243 -203515.7581 2611.7401 0.0000 0.0000 51907.7996 -109757.1124 298.3148 -161664.9120 -109385.4808 297.9388 -62.3842 -31.5916 760034.6092 -7.7286 -7.6783 PRESSURE: 1459800 208.719 60.9447 90.9503 60.9462 7.76114 -71.4532 90.9501 -71.4534 194.977 GPRESSURE: 1459800 98.2812 -69.1408 136.924 77.587 132.868 -59.9075 79.6998 -142.11 271.817 PRESSAVG: 1459800 -74.7782 54.0304 -14.1012 54.0304 41.4965 -4.42226 -14.1012 -4.4222 -12.3296 GPRESSAVG: 1459800 -74.899 53.4043 -13.2951 53.2489 42.4315 -5.0482 -15.2382 -5.79644 -13.0882 TIMING: 1459800 CPU: 4683.61, 0.00317043/step Wall: 4683.61, 0.00317043/step, 3.11776 hours remaining, 231.332031 MB of memory in use. ENERGY: 1459800 4000.6529 20460.4826 14442.8777 242.7454 -203650.3364 2726.7441 0.0000 0.0000 52032.1679 -109744.6657 299.0296 -161776.8336 -109388.9226 298.4825 137.1525 167.6553 759648.0245 -15.2038 -15.1852 PRESSURE: 1460000 -108.176 -34.5249 -45.934 -34.5255 122.747 -60.8369 -45.9343 -60.8374 -172.776 GPRESSURE: 1460000 -6.4262 101.637 43.2306 -58.3694 57.2236 100.088 -66.5199 -111.586 -119.179 PRESSAVG: 1460000 -56.1876 -21.4843 -39.7326 -21.4843 77.3792 -11.1246 -39.7325 -11.1245 8.83402 GPRESSAVG: 1460000 -55.5637 -19.6027 -41.6623 -20.6443 75.9555 -10.6096 -39.1329 -11.5412 9.63013 TIMING: 1460000 CPU: 4684.25, 0.00317931/step Wall: 4684.25, 0.00317931/step, 3.12632 hours remaining, 231.332031 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: 1460000 3947.7489 20489.4739 14518.5597 267.7850 -202997.6365 2434.0987 0.0000 0.0000 51759.5772 -109580.3931 297.4630 -161339.9703 -109218.2770 298.6733 -52.7349 -22.7937 762106.4860 10.0086 10.0073 PRESSURE: 1460200 -272.843 -58.2649 -45.4109 -58.2638 137.938 34.0575 -45.4111 34.0573 -29.9752 GPRESSURE: 1460200 -200.289 -58.1458 -48.0984 14.0628 142.794 -5.65754 -96.0931 -18.966 -8.42965 PRESSAVG: 1460200 -43.7866 -44.3857 18.0719 -44.3857 24.1276 -7.0872 18.072 -7.08716 -1.20917 GPRESSAVG: 1460200 -43.5601 -43.8345 19.8721 -45.7999 23.9197 -6.4772 16.9057 -7.46536 -1.14883 TIMING: 1460200 CPU: 4684.88, 0.00316242/step Wall: 4684.88, 0.00316242/step, 3.10954 hours remaining, 231.332031 MB of memory in use. ENERGY: 1460200 3931.7006 20446.3078 14470.4695 247.5437 -203490.2074 2537.0612 0.0000 0.0000 52274.7992 -109582.3255 300.4240 -161857.1247 -109219.6084 299.0144 -54.9601 -21.9748 760335.7167 -6.9561 -6.9297 LDB: ============= START OF LOAD BALANCING ============== 4697.3 LDB: ============== END OF LOAD BALANCING =============== 4697.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4697.31 LDB: ============= START OF LOAD BALANCING ============== 4697.63 LDB: Largest compute 7074 load 0.034808 is 17.8% of average load 0.195343 LDB: Average compute 0.004417 is 2.3% of average load 0.195343 LDB: TIME 4697.63 LOAD: AVG 0.195343 MAX 0.210557 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.316 MB LDB: TIME 4697.63 LOAD: AVG 0.195343 MAX 0.210557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: TIME 4697.63 LOAD: AVG 0.195343 MAX 0.210557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: ============== END OF LOAD BALANCING =============== 4697.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4697.64 PRESSURE: 1460400 -299.659 121.982 53.6967 121.981 -143.236 -132.029 53.6961 -132.028 -110.549 GPRESSURE: 1460400 -221.486 78.9563 50.3197 89.4201 -124.67 -76.2411 76.8459 -140.253 -131.357 PRESSAVG: 1460400 -46.7875 -70.8279 -2.37475 -70.828 13.8364 19.9788 -2.37472 19.9788 0.653942 GPRESSAVG: 1460400 -45.9115 -72.4811 -3.79977 -71.8988 14.5844 20.4498 0.0684377 21.1187 -0.84552 TIMING: 1460400 CPU: 4685.53, 0.00324767/step Wall: 4685.53, 0.00324767/step, 3.19318 hours remaining, 231.824219 MB of memory in use. ENERGY: 1460400 3968.9817 20516.8952 14428.3093 243.3706 -203042.1209 2180.3067 0.0000 0.0000 51996.6080 -109707.6494 298.8252 -161704.2575 -109345.8405 298.9705 -184.4814 -159.1708 760448.9826 -10.7657 -10.7242 PRESSURE: 1460600 -269.506 2.21037 259.206 2.21041 19.4264 -60.9978 259.206 -60.9983 -108.657 GPRESSURE: 1460600 -294.218 43.1256 198.627 -22.8686 37.3958 -88.7903 132.857 -75.8638 -43.4696 PRESSAVG: 1460600 -71.8863 -13.0232 -45.7703 -13.0233 95.6554 -15.1394 -45.7703 -15.1394 -12.5112 GPRESSAVG: 1460600 -72.5454 -13.6849 -44.8757 -12.4411 95.4487 -16.5549 -47.925 -14.3159 -11.1381 TIMING: 1460600 CPU: 4686.17, 0.00317647/step Wall: 4686.17, 0.00317647/step, 3.123 hours remaining, 232.027344 MB of memory in use. ENERGY: 1460600 3927.5423 20581.3923 14469.4601 232.4627 -203322.9926 2330.1496 0.0000 0.0000 51986.0211 -109795.9644 298.7644 -161781.9855 -109441.9925 298.6047 -119.5787 -100.0973 760227.7013 3.7526 3.9217 PRESSURE: 1460800 -145.291 50.3627 91.6188 50.3628 346.615 14.0713 91.6181 14.0718 48.1226 GPRESSURE: 1460800 -11.638 104.982 27.6131 -1.70259 317.432 -37.582 69.5437 125.687 29.6687 PRESSAVG: 1460800 -8.35947 -51.4114 1.17407 -51.4114 5.37432 9.75576 1.17413 9.75578 8.75812 GPRESSAVG: 1460800 -7.96574 -49.813 -0.033089 -48.32 6.39514 10.2354 2.11475 7.81508 7.84863 TIMING: 1460800 CPU: 4686.8, 0.00318111/step Wall: 4686.8, 0.00318111/step, 3.12739 hours remaining, 232.027344 MB of memory in use. ENERGY: 1460800 3948.0808 20468.1681 14419.0290 244.3039 -203574.6945 2565.9021 0.0000 0.0000 52116.6363 -109812.5743 299.5150 -161929.2106 -109453.2976 298.6055 83.1491 111.8208 760678.0451 1.9243 2.0927 PRESSURE: 1461000 -237.273 -145.276 -22.2187 -145.276 -422.424 34.9204 -22.2184 34.9211 -147.809 GPRESSURE: 1461000 -266.982 -161.348 51.7218 -135.173 -347.263 144.13 -110.274 -12.2976 -88.0039 PRESSAVG: 1461000 24.681 43.408 0.77251 43.408 12.1704 60.7518 0.772573 60.7519 1.7524 GPRESSAVG: 1461000 24.5606 42.1195 2.68381 41.3545 12.1252 60.2742 -0.0795177 63.3169 1.81642 TIMING: 1461000 CPU: 4687.44, 0.00319369/step Wall: 4687.44, 0.00319369/step, 3.13957 hours remaining, 232.027344 MB of memory in use. ENERGY: 1461000 3994.2109 20478.7524 14415.0583 247.9981 -203334.4824 2309.9723 0.0000 0.0000 51979.6071 -109908.8833 298.7275 -161888.4904 -109546.4273 298.5402 -269.1687 -234.0832 761358.6028 12.8679 12.8341 PRESSURE: 1461200 100.892 112.115 -156.116 112.116 -102.009 -96.4985 -156.116 -96.498 253.442 GPRESSURE: 1461200 198.568 73.7312 -175.518 157.995 -94.1153 -70.4826 -126.15 -195.136 249.865 PRESSAVG: 1461200 -31.8626 -57.0887 -3.99426 -57.0888 45.3267 64.8351 -3.99428 64.8351 -1.32 GPRESSAVG: 1461200 -32.2266 -57.5373 -3.11651 -57.7594 44.5047 65.35 -3.51035 63.6219 -0.302404 TIMING: 1461200 CPU: 4688.07, 0.00317251/step Wall: 4688.07, 0.00317251/step, 3.11858 hours remaining, 232.027344 MB of memory in use. ENERGY: 1461200 3955.9073 20255.9815 14407.3745 255.7665 -203563.9346 2755.1834 0.0000 0.0000 51975.7390 -109957.9824 298.7053 -161933.7215 -109596.0287 298.3713 84.1085 118.1059 759008.2195 4.0480 3.9919 PRESSURE: 1461400 -19.363 -138.973 4.72735 -138.972 -323.227 231.222 4.72708 231.221 -354.275 GPRESSURE: 1461400 42.8054 -164.75 13.0324 41.2627 -374.71 191.621 -76.7285 294.774 -267.147 PRESSAVG: 1461400 16.2691 -19.9998 40.5879 -19.9998 -4.15459 25.4218 40.5879 25.4217 -7.44215 GPRESSAVG: 1461400 15.6873 -18.7763 38.4994 -17.1309 -4.23029 24.4967 39.5262 26.2291 -7.22393 TIMING: 1461400 CPU: 4688.71, 0.00319164/step Wall: 4688.71, 0.00319164/step, 3.1372 hours remaining, 232.027344 MB of memory in use. ENERGY: 1461400 3865.0410 20374.2922 14525.5413 234.5891 -202938.7201 1953.9051 0.0000 0.0000 52183.5449 -109801.8064 299.8995 -161985.3513 -109436.4646 298.7340 -232.2884 -199.6840 761189.0698 1.5575 1.4110 PRESSURE: 1461600 -197.981 91.0383 -209.27 91.0386 59.4356 -99.7725 -209.27 -99.7736 264.767 GPRESSURE: 1461600 -141.694 -32.6939 -228.318 89.9811 155.833 -69.2726 -259.828 -151.594 211.419 PRESSAVG: 1461600 1.89727 4.09886 40.9875 4.09884 10.1542 15.7543 40.9876 15.7542 9.20029 GPRESSAVG: 1461600 2.89068 1.5661 41.1928 2.50365 9.79025 16.3916 41.7862 12.0015 8.28713 TIMING: 1461600 CPU: 4689.35, 0.00318895/step Wall: 4689.35, 0.00318895/step, 3.13439 hours remaining, 232.027344 MB of memory in use. ENERGY: 1461600 4005.3877 20565.5762 14393.5160 248.2772 -203321.9993 2448.3124 0.0000 0.0000 52078.0641 -109582.8656 299.2934 -161660.9298 -109222.8836 298.5483 42.0738 75.1859 759240.4020 7.0839 6.9894 PRESSURE: 1461800 262.057 -221.297 270.908 -221.297 206.636 -95.6029 270.908 -95.602 182.548 GPRESSURE: 1461800 362.994 -129.872 239.525 -219.526 190.779 -90.2358 209.005 -79.8172 169.353 PRESSAVG: 1461800 9.4899 -42.5118 -0.957603 -42.5117 31.0927 -5.41634 -0.957606 -5.41637 2.71181 GPRESSAVG: 1461800 8.89507 -40.9605 -0.238658 -43.8281 31.5494 -4.5908 -5.22054 -2.17153 2.71477 TIMING: 1461800 CPU: 4689.99, 0.00319961/step Wall: 4689.99, 0.00319961/step, 3.14469 hours remaining, 232.097656 MB of memory in use. ENERGY: 1461800 3953.2901 20626.3405 14451.6675 254.3595 -203140.1136 2526.8190 0.0000 0.0000 51976.2205 -109351.4165 298.7081 -161327.6371 -108993.0985 299.6569 217.0804 241.0418 762223.5316 14.4315 14.3864 PRESSURE: 1462000 32.0023 -112.016 -143.997 -112.016 -475.287 -45.2081 -143.996 -45.2084 65.3954 GPRESSURE: 1462000 103.894 -37.4072 -92.0756 4.46924 -468.634 -21.6099 -110.067 3.11283 55.4253 PRESSAVG: 1462000 36.943 -23.3779 24.8412 -23.3779 -16.8556 -23.39 24.8413 -23.39 -2.01972 GPRESSAVG: 1462000 37.7323 -22.1445 24.9553 -22.889 -18.0911 -24.1259 29.1513 -23.5307 -1.93355 TIMING: 1462000 CPU: 4690.63, 0.00318188/step Wall: 4690.63, 0.00318188/step, 3.12708 hours remaining, 232.097656 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: 1462000 3987.6116 20576.4730 14443.4764 244.6993 -203037.7159 2321.9480 0.0000 0.0000 51931.9405 -109531.5671 298.4536 -161463.5076 -109172.0886 299.3378 -125.9632 -103.1052 761020.8360 6.0226 5.9025 PRESSURE: 1462200 -150.941 15.1118 -286.495 15.1126 -43.2065 143.771 -286.495 143.772 -9.17844 GPRESSURE: 1462200 -73.5804 -85.2924 -240.768 -4.35658 -96.1924 181.477 -155.165 3.36566 36.7265 PRESSAVG: 1462200 -23.1993 18.271 -43.2274 18.2709 -8.95522 23.1753 -43.2274 23.1753 -20.3913 GPRESSAVG: 1462200 -25.2135 18.2063 -44.4291 15.8002 -8.40212 24.3137 -45.1224 21.5559 -19.2342 TIMING: 1462200 CPU: 4691.26, 0.00317023/step Wall: 4691.26, 0.00317023/step, 3.11545 hours remaining, 232.097656 MB of memory in use. ENERGY: 1462200 3946.9156 20632.9022 14429.1457 231.9335 -203072.0521 2228.0916 0.0000 0.0000 52140.7283 -109462.3352 299.6535 -161603.0634 -109101.4245 299.3836 -67.7755 -44.3487 760923.6383 -17.5153 -17.6166 PRESSURE: 1462400 -73.7523 -140.696 119.352 -140.696 -141.303 -56.4408 119.351 -56.4406 -343.611 GPRESSURE: 1462400 -141.475 -147.834 124.216 -74.8594 7.48673 46.8227 127.083 7.89501 -326.578 PRESSAVG: 1462400 19.9193 -27.1953 -13.1728 -27.1953 10.2758 64.8264 -13.1728 64.8264 -1.58677 GPRESSAVG: 1462400 20.9501 -27.7918 -12.8298 -24.6628 10.2367 63.1787 -12.6936 66.9039 -2.77902 TIMING: 1462400 CPU: 4691.9, 0.00317908/step Wall: 4691.9, 0.00317908/step, 3.12398 hours remaining, 232.097656 MB of memory in use. ENERGY: 1462400 4052.1137 20440.1138 14625.6462 250.8869 -203455.3781 2524.7165 0.0000 0.0000 52175.5332 -109386.3678 299.8535 -161561.9010 -109028.3262 299.6078 -186.2222 -153.5220 759948.7032 9.5361 9.4693 PRESSURE: 1462600 207.286 -106.389 150.083 -106.39 -97.3705 -107.154 150.083 -107.154 -41.4186 GPRESSURE: 1462600 145.28 -113.518 288.012 -12.6167 -16.6902 -171.411 48.7474 -96.1859 19.6956 PRESSAVG: 1462600 -19.4193 -30.4825 -18.0405 -30.4825 1.04243 49.9134 -18.0404 49.9134 -9.92102 GPRESSAVG: 1462600 -19.3404 -31.8302 -17.9124 -29.6794 1.44141 51.7042 -15.2264 47.3949 -9.91454 TIMING: 1462600 CPU: 4692.53, 0.00316814/step Wall: 4692.53, 0.00316814/step, 3.11305 hours remaining, 232.097656 MB of memory in use. ENERGY: 1462600 3867.7716 20487.9404 14579.3772 262.3136 -203169.3466 2704.3240 0.0000 0.0000 51990.1687 -109277.4510 298.7882 -161267.6197 -108917.0777 299.2469 22.8323 49.4284 761578.1390 -9.4326 -9.2712 PRESSURE: 1462800 -109.951 -272.786 9.3378 -272.785 -60.0868 -78.7239 9.33736 -78.7262 45.6434 GPRESSURE: 1462800 -5.66549 -240.038 0.965644 -199.781 -40.8293 -119.391 -66.9961 38.1988 11.8417 PRESSAVG: 1462800 2.92189 -41.4022 18.8766 -41.4022 22.6672 -43.7017 18.8766 -43.7018 -4.41526 GPRESSAVG: 1462800 2.59617 -38.1166 17.1801 -43.8838 22.6102 -45.5934 18.0501 -40.9359 -3.64102 TIMING: 1462800 CPU: 4693.17, 0.00317236/step Wall: 4693.17, 0.00317236/step, 3.11702 hours remaining, 232.097656 MB of memory in use. ENERGY: 1462800 3957.5681 20467.3683 14508.2001 231.2237 -202718.3684 2227.7243 0.0000 0.0000 52072.5561 -109253.7277 299.2617 -161326.2839 -108896.5402 299.6725 -41.4649 -11.5510 762281.9834 7.0580 7.1884 PRESSURE: 1463000 63.0399 -82.181 94.5907 -82.1809 85.4329 -51.389 94.591 -51.3894 -201.578 GPRESSURE: 1463000 114.81 9.63762 160.992 -39.3685 115.86 -83.4575 78.304 -175.042 -188.185 PRESSAVG: 1463000 34.434 -47.4153 51.9439 -47.4153 -45.5739 19.0963 51.9439 19.0963 12.9471 GPRESSAVG: 1463000 33.4977 -49.0403 52.0138 -45.8622 -45.5923 20.5045 51.9363 16.1391 13.594 TIMING: 1463000 CPU: 4693.79, 0.00314736/step Wall: 4693.79, 0.00314736/step, 3.09228 hours remaining, 232.097656 MB of memory in use. ENERGY: 1463000 4014.1043 20437.2723 14496.1100 243.9955 -203436.3141 2690.6609 0.0000 0.0000 52524.5923 -109029.5788 301.8596 -161554.1711 -108670.0318 300.0824 -17.7017 14.1617 759857.3792 0.6024 0.4998 PRESSURE: 1463200 -189.523 -76.8113 -192.146 -76.8109 -162.902 -152.744 -192.146 -152.743 9.79856 GPRESSURE: 1463200 -136.307 -77.5297 -263.13 -54.3804 -162.159 -110.815 -114.612 -197.06 25.5546 PRESSAVG: 1463200 2.84579 -30.3803 30.5336 -30.3803 -0.0156467 2.16952 30.5336 2.16949 -18.5796 GPRESSAVG: 1463200 3.32744 -31.1457 31.6542 -29.9504 0.877082 0.714604 28.3889 3.94257 -20.0871 TIMING: 1463200 CPU: 4694.43, 0.00316919/step Wall: 4694.43, 0.00316919/step, 3.11355 hours remaining, 232.097656 MB of memory in use. ENERGY: 1463200 3982.2944 20475.3125 14513.2842 232.6324 -202678.0922 2049.9389 0.0000 0.0000 52342.1642 -109082.4656 300.8111 -161424.6298 -108713.2343 300.4842 -114.2090 -90.9703 762099.8846 -5.2498 -5.2942 PRESSURE: 1463400 -98.826 -164.023 -226.181 -164.023 588.99 -133.022 -226.182 -133.021 -46.0952 GPRESSURE: 1463400 -33.2808 -146.911 -274.87 -106.122 590.521 -119.523 -210.637 -240.629 -14.6702 PRESSAVG: 1463400 -0.543953 -86.878 -3.1024 -86.878 -25.1532 20.9587 -3.10236 20.9586 17.3314 GPRESSAVG: 1463400 -0.692208 -87.7098 -2.85025 -85.5115 -25.4416 24.8691 -1.59069 19.4776 18.1273 TIMING: 1463400 CPU: 4695.06, 0.00317096/step Wall: 4695.06, 0.00317096/step, 3.11511 hours remaining, 232.097656 MB of memory in use. ENERGY: 1463400 4009.2566 20442.6106 14579.4963 243.4021 -203377.0486 2629.0074 0.0000 0.0000 52191.5179 -109281.7578 299.9454 -161473.2757 -108917.3467 300.3705 148.0228 180.8566 759675.2496 -2.7886 -2.6688 PRESSURE: 1463600 282.005 -170.773 184.016 -170.772 314.685 17.6047 184.016 17.6037 99.4614 GPRESSURE: 1463600 371.245 -95.6322 155.947 -133.948 268.176 -4.29915 193.145 -43.6159 118.154 PRESSAVG: 1463600 16.1857 -112.729 -29.2198 -112.729 5.59251 -34.8156 -29.2198 -34.8155 12.5491 GPRESSAVG: 1463600 15.9396 -110.51 -29.3951 -114.174 5.89071 -37.533 -29.819 -35.4724 12.3442 TIMING: 1463600 CPU: 4695.7, 0.00316941/step Wall: 4695.7, 0.00316941/step, 3.11341 hours remaining, 232.097656 MB of memory in use. ENERGY: 1463600 3972.8464 20402.7408 14428.4123 242.9835 -203359.6701 2716.4667 0.0000 0.0000 52238.4395 -109357.7810 300.2150 -161596.2204 -108995.7902 299.7862 232.0507 252.5250 761021.7545 11.4425 11.3915 PRESSURE: 1463800 -174.959 -93.8814 16.92 -93.8807 -133.212 -156.956 16.9195 -156.956 -42.9988 GPRESSURE: 1463800 -150.889 -18.6411 0.198318 -129.735 -74.9194 -195.793 144.086 -121.689 -34.9102 PRESSAVG: 1463800 22.524 -31.5372 -22.7207 -31.5372 4.24264 21.9092 -22.7207 21.9092 28.0033 GPRESSAVG: 1463800 22.5662 -33.1193 -22.4776 -31.5682 4.28486 22.0329 -23.1224 24.1303 27.6069 TIMING: 1463800 CPU: 4696.33, 0.00315134/step Wall: 4696.33, 0.00315134/step, 3.09549 hours remaining, 232.097656 MB of memory in use. ENERGY: 1463800 3972.4033 20437.4612 14474.8156 250.7534 -203176.7595 2164.0174 0.0000 0.0000 52415.9000 -109461.4086 301.2349 -161877.3085 -109098.3267 299.3585 -117.0565 -86.9062 760792.5917 18.2567 18.1527 PRESSURE: 1464000 206.189 10.0334 -393.413 10.0337 6.44628 7.806 -393.413 7.80608 86.9606 GPRESSURE: 1464000 275.538 15.5854 -389.274 -4.24495 11.6313 104.608 -255.5 -22.0864 110.942 PRESSAVG: 1464000 -17.0063 -38.2422 -29.5677 -38.2422 18.1155 -31.0539 -29.5677 -31.054 1.82472 GPRESSAVG: 1464000 -17.4148 -37.748 -30.2693 -37.0928 17.1827 -31.777 -29.5478 -32.0047 3.4991 TIMING: 1464000 CPU: 4696.97, 0.00319512/step Wall: 4696.97, 0.00319512/step, 3.13832 hours remaining, 232.097656 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: 1464000 3912.7771 20402.6623 14528.4180 264.9564 -203021.9604 2460.1190 0.0000 0.0000 52076.9579 -109376.0697 299.2870 -161453.0276 -109012.5747 299.7327 99.8654 132.7036 762054.0361 0.9780 1.0890 PRESSURE: 1464200 -226.436 -29.3083 7.38658 -29.3087 43.6554 -269.259 7.38693 -269.26 -472.398 GPRESSURE: 1464200 -189.954 -1.83958 34.6973 -70.7735 105.008 -286.466 -36.281 -173.834 -471.331 PRESSAVG: 1464200 2.74123 -45.2825 -8.64388 -45.2825 -39.9532 -42.6888 -8.6439 -42.6889 -0.313329 GPRESSAVG: 1464200 4.09028 -46.7336 -8.40213 -45.237 -39.6546 -43.6356 -9.49473 -41.3199 -1.32654 TIMING: 1464200 CPU: 4697.6, 0.00317402/step Wall: 4697.6, 0.00317402/step, 3.11742 hours remaining, 232.097656 MB of memory in use. ENERGY: 1464200 4001.0792 20455.3032 14438.6524 236.0276 -203196.2088 2675.1326 0.0000 0.0000 52118.0850 -109271.9288 299.5234 -161390.0138 -108900.1289 299.5345 -218.3929 -185.4256 761776.4817 -12.5084 -12.2969 LDB: ============= START OF LOAD BALANCING ============== 4710.03 LDB: ============== END OF LOAD BALANCING =============== 4710.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4710.03 LDB: ============= START OF LOAD BALANCING ============== 4710.35 LDB: Largest compute 7034 load 0.034367 is 17.6% of average load 0.195398 LDB: Average compute 0.004399 is 2.3% of average load 0.195398 LDB: TIME 4710.35 LOAD: AVG 0.195398 MAX 0.213981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 4710.35 LOAD: AVG 0.195398 MAX 0.213981 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: TIME 4710.35 LOAD: AVG 0.195398 MAX 0.213981 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: ============== END OF LOAD BALANCING =============== 4710.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4710.36 PRESSURE: 1464400 327.254 123.923 28.5212 123.924 108.183 -123.421 28.522 -123.42 350.324 GPRESSURE: 1464400 267.217 54.0928 -2.53436 79.975 189.036 -83.1469 86.7648 -132.632 434.761 PRESSAVG: 1464400 -49.552 -39.4202 -11.739 -39.4202 22.3843 -21.9793 -11.739 -21.9793 29.6145 GPRESSAVG: 1464400 -50.4681 -36.9055 -12.5428 -39.64 21.5067 -20.3728 -11.4517 -22.1136 30.8581 TIMING: 1464400 CPU: 4698.25, 0.00325091/step Wall: 4698.25, 0.00325089/step, 3.19273 hours remaining, 232.910156 MB of memory in use. ENERGY: 1464400 3952.7616 20414.3675 14420.6520 219.9187 -203362.6721 2947.3991 0.0000 0.0000 52104.1817 -109303.3915 299.4434 -161407.5732 -108946.1955 299.5800 261.9205 297.0046 761390.9231 0.8156 0.6322 PRESSURE: 1464600 119.338 6.60329 -64.7028 6.60381 -80.3786 -77.9129 -64.7028 -77.9134 -269.102 GPRESSURE: 1464600 159.459 -37.8167 -65.3769 39.4044 -36.1734 -130.247 37.1878 -78.5826 -269.463 PRESSAVG: 1464600 33.5545 -40.8712 -25.5743 -40.8712 -3.37995 -53.1877 -25.5742 -53.1877 -4.02963 GPRESSAVG: 1464600 34.0449 -44.8281 -26.4072 -42.0911 -3.48402 -53.6326 -23.0175 -54.5196 -5.01133 TIMING: 1464600 CPU: 4698.89, 0.00317734/step Wall: 4698.89, 0.00317736/step, 3.12034 hours remaining, 232.980469 MB of memory in use. ENERGY: 1464600 3917.7597 20556.7932 14469.5779 242.4983 -202690.7117 2175.0676 0.0000 0.0000 52099.2440 -109229.7710 299.4151 -161329.0151 -108866.2086 299.2510 -76.7142 -48.7258 762582.2688 8.7150 8.5165 PRESSURE: 1464800 -105.018 -84.6776 -181.362 -84.6787 -106.508 -235.4 -181.362 -235.401 -185.033 GPRESSURE: 1464800 -63.6956 -79.4321 -162.24 28.3105 -52.8037 -173.856 -257.027 -184.468 -193.652 PRESSAVG: 1464800 1.38258 -35.1334 -55.2635 -35.1333 -35.2908 1.93763 -55.2634 1.93768 -12.5673 GPRESSAVG: 1464800 0.728163 -31.6253 -54.0718 -34.1876 -34.7557 2.32822 -56.0968 3.90395 -11.9772 TIMING: 1464800 CPU: 4699.52, 0.00316503/step Wall: 4699.52, 0.00316503/step, 3.10806 hours remaining, 232.980469 MB of memory in use. ENERGY: 1464800 3889.7819 20357.7948 14536.8085 255.3494 -202905.8494 2306.6100 0.0000 0.0000 52226.5291 -109332.9757 300.1466 -161559.5048 -108957.7430 299.5270 -132.1865 -103.3837 762128.7639 -15.4918 -15.3349 PRESSURE: 1465000 -0.578985 -99.5267 -18.8469 -99.5258 101.154 -35.8493 -18.8467 -35.8496 116.668 GPRESSURE: 1465000 62.3904 -148.054 -54.1897 -184.124 125.302 -69.4041 65.5559 125.403 95.4564 PRESSAVG: 1465000 15.8283 -44.5172 -19.9081 -44.5172 -61.4056 -9.38329 -19.9081 -9.38334 29.1263 GPRESSAVG: 1465000 16.5428 -44.7541 -16.6072 -45.3354 -61.1072 -7.21617 -23.2276 -11.8796 28.3032 TIMING: 1465000 CPU: 4700.16, 0.00318729/step Wall: 4700.16, 0.00318729/step, 3.12974 hours remaining, 232.980469 MB of memory in use. ENERGY: 1465000 3987.5731 20393.2374 14436.1435 233.3837 -203047.1073 2447.8106 0.0000 0.0000 52306.9145 -109242.0444 300.6086 -161548.9589 -108881.0255 299.6880 72.4143 94.3831 761223.9665 -5.4837 -5.4204 PRESSURE: 1465200 -382.353 -100.495 -64.1725 -100.496 -448.869 204.776 -64.1731 204.776 -112.397 GPRESSURE: 1465200 -216.282 -29.6981 -68.8249 -87.1117 -492.188 251.222 -29.9636 246.978 -182.52 PRESSAVG: 1465200 -15.1878 -61.4355 -31.9626 -61.4356 3.98412 40.7602 -31.9626 40.7603 -16.9517 GPRESSAVG: 1465200 -14.595 -60.5514 -36.5327 -62.2349 3.08955 39.0112 -28.8695 41.8511 -16.9627 TIMING: 1465200 CPU: 4700.79, 0.00315869/step Wall: 4700.79, 0.00315869/step, 3.10148 hours remaining, 232.980469 MB of memory in use. ENERGY: 1465200 3972.6789 20488.5357 14540.2864 247.9502 -202690.7063 2074.0749 0.0000 0.0000 52058.8627 -109308.3174 299.1830 -161367.1802 -108946.7959 299.5260 -314.5396 -296.9966 760910.3879 -9.3851 -9.4894 PRESSURE: 1465400 -62.5626 239.917 -185.183 239.917 67.8263 244.415 -185.183 244.416 96.5218 GPRESSURE: 1465400 -49.2242 143.075 -196.645 249.891 104.637 226.265 -46.5029 169.727 125.012 PRESSAVG: 1465400 13.9632 -12.7026 -31.3411 -12.7027 -26.1731 44.0883 -31.3411 44.0883 -15.444 GPRESSAVG: 1465400 12.3623 -13.9699 -29.1877 -11.436 -23.8817 44.5332 -32.7102 42.1734 -16.0565 TIMING: 1465400 CPU: 4701.43, 0.00318451/step Wall: 4701.43, 0.00318451/step, 3.12666 hours remaining, 232.980469 MB of memory in use. ENERGY: 1465400 3940.6644 20511.1747 14469.2119 238.3462 -202826.3219 2246.7598 0.0000 0.0000 52132.6214 -109287.5435 299.6069 -161420.1648 -108929.5364 299.0843 33.9285 60.1419 761367.2470 -9.2180 -9.1919 PRESSURE: 1465600 -430.713 -68.1987 -206.693 -68.1986 -385.422 3.67494 -206.694 3.67638 78.4317 GPRESSURE: 1465600 -410.819 -20.6604 -202.26 -93.4348 -310.611 -54.3906 -314.682 88.1637 64.0985 PRESSAVG: 1465600 -32.1663 -3.70845 -14.859 -3.70842 -13.1971 87.394 -14.859 87.394 7.93008 GPRESSAVG: 1465600 -32.2369 -3.52295 -15.0445 -3.81987 -14.9786 87.5652 -15.1665 88.4274 9.72871 TIMING: 1465600 CPU: 4702.07, 0.00320633/step Wall: 4702.07, 0.00320633/step, 3.14791 hours remaining, 233.238281 MB of memory in use. ENERGY: 1465600 3952.1326 20353.5023 14435.7325 268.1966 -202672.0821 2231.6217 0.0000 0.0000 52034.4061 -109396.4902 299.0424 -161430.8963 -109035.9228 299.4245 -245.9011 -219.1105 762407.5349 -12.4778 -12.4956 PRESSURE: 1465800 98.6095 -201.256 182.05 -201.257 -153.74 -7.288 182.05 -7.28761 39.0577 GPRESSURE: 1465800 108.071 -65.8344 197.831 -202.058 -115.925 -35.0439 293.844 -19.0097 72.6981 PRESSAVG: 1465800 -1.37787 -11.1025 -13.6139 -11.1026 18.7727 16.4502 -13.6139 16.4502 7.88875 GPRESSAVG: 1465800 -0.403074 -11.4036 -13.8459 -10.2495 18.5004 13.9097 -12.7566 19.5492 7.25551 TIMING: 1465800 CPU: 4702.71, 0.00320987/step Wall: 4702.71, 0.00320987/step, 3.1512 hours remaining, 233.238281 MB of memory in use. ENERGY: 1465800 3910.4696 20380.9754 14452.0213 238.0090 -202807.2557 2140.8564 0.0000 0.0000 52293.2965 -109391.6274 300.5303 -161684.9240 -109021.8777 299.3550 -5.3576 21.6149 759937.3918 8.4279 8.4510 PRESSURE: 1466000 -423.977 -188.807 -19.845 -188.808 -59.4116 85.9754 -19.8447 85.9752 -161.619 GPRESSURE: 1466000 -419.478 -103.929 27.7413 -108.456 -37.3083 138.062 6.03729 260.318 -125.204 PRESSAVG: 1466000 12.8091 4.17962 -3.59007 4.17962 21.6958 -4.02795 -3.5901 -4.02792 7.09154 GPRESSAVG: 1466000 11.9888 4.56605 -3.57962 1.99569 21.7938 -2.37892 -3.36218 -5.31478 7.11027 TIMING: 1466000 CPU: 4703.35, 0.00319657/step Wall: 4703.35, 0.00319657/step, 3.13797 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 3967.3268 20557.5082 14526.8263 232.0612 -202667.5250 2335.8511 0.0000 0.0000 51844.6334 -109203.3180 297.9518 -161047.9514 -108853.6380 299.1040 -215.0024 -193.9968 760914.1798 13.8655 13.6309 PRESSURE: 1466200 205.116 7.8394 25.7468 7.83905 30.4106 113.68 25.7468 113.679 138.294 GPRESSURE: 1466200 274.116 40.6853 12.6393 25.8403 92.0417 38.6054 84.8141 112.283 111.961 PRESSAVG: 1466200 -68.928 -19.2348 -34.216 -19.2348 99.2179 52.1519 -34.2159 52.152 1.22021 GPRESSAVG: 1466200 -68.2661 -20.4762 -35.6901 -15.9254 98.8016 50.3953 -33.7465 51.5408 0.945173 TIMING: 1466200 CPU: 4704, 0.00323594/step Wall: 4704, 0.00323594/step, 3.17644 hours remaining, 233.238281 MB of memory in use. ENERGY: 1466200 3950.4308 20281.2341 14429.2356 244.8628 -202810.4704 2476.9854 0.0000 0.0000 52263.1062 -109164.6156 300.3568 -161427.7217 -108804.4924 299.7371 124.6069 159.3732 761836.1435 10.5034 10.4936 PRESSURE: 1466400 189.722 -88.0077 194.247 -88.0067 222.123 64.273 194.248 64.273 325.555 GPRESSURE: 1466400 203.207 42.1421 216.615 -65.9872 277.331 103.517 188.432 -9.29449 353.319 PRESSAVG: 1466400 -34.9719 3.84909 -4.80379 3.84906 22.1258 15.9799 -4.80369 15.9799 24.7738 GPRESSAVG: 1466400 -35.1119 6.06339 -4.05037 2.61184 22.0204 18.4337 -6.14705 13.2799 24.7446 TIMING: 1466400 CPU: 4704.63, 0.00316154/step Wall: 4704.63, 0.00316154/step, 3.10322 hours remaining, 233.238281 MB of memory in use. ENERGY: 1466400 3936.5139 20477.0094 14476.3765 268.0366 -202818.8265 2190.5977 0.0000 0.0000 52287.7289 -109182.5635 300.4983 -161470.2924 -108819.7931 299.6721 245.7998 277.9522 760019.4360 3.9759 3.8843 PRESSURE: 1466600 136.847 -125.022 302.219 -125.022 124.104 154.231 302.219 154.23 -138.247 GPRESSURE: 1466600 15.371 -149.371 265.797 -130.716 232.1 93.1683 212.993 43.8004 -50.1417 PRESSAVG: 1466600 -58.6459 -13.9493 3.23874 -13.9493 31.2462 51.5239 3.23878 51.5239 14.7785 GPRESSAVG: 1466600 -59.5491 -16.1858 5.41223 -13.1063 32.5547 50.3886 2.24757 54.1509 14.3016 TIMING: 1466600 CPU: 4705.27, 0.00318779/step Wall: 4705.27, 0.00318779/step, 3.12881 hours remaining, 233.238281 MB of memory in use. ENERGY: 1466600 4024.8582 20424.3351 14399.9728 248.1248 -202917.4242 2423.5239 0.0000 0.0000 52057.1510 -109339.4584 299.1732 -161396.6094 -108988.0483 299.1086 40.9015 65.7766 759123.0562 -4.2071 -4.2309 PRESSURE: 1466800 239.147 79.7512 -6.00148 79.7509 303.979 -11.1941 -6.00109 -11.1938 507.283 GPRESSURE: 1466800 275.152 66.642 -52.9948 -11.5373 322.798 31.4143 131.005 83.0633 523.4 PRESSAVG: 1466800 -24.9528 -25.7462 -22.7815 -25.7462 27.8964 68.8038 -22.7815 68.8038 36.7922 GPRESSAVG: 1466800 -25.7238 -28.5733 -23.8678 -25.2359 28.3529 68.9134 -21.1718 68.0574 37.5483 TIMING: 1466800 CPU: 4705.91, 0.00320305/step Wall: 4705.91, 0.00320305/step, 3.14362 hours remaining, 233.238281 MB of memory in use. ENERGY: 1466800 3959.2639 20466.2148 14493.4225 244.1519 -203234.9214 2495.8224 0.0000 0.0000 52209.0441 -109367.0018 300.0461 -161576.0459 -108998.8732 299.5604 350.1364 373.7832 758806.5621 13.2452 13.3925 PRESSURE: 1467000 -182.557 -35.7039 -122.71 -35.7035 -65.0627 -174.538 -122.71 -174.537 35.7634 GPRESSURE: 1467000 -148.811 4.97863 -130.233 -57.9808 -47.4231 -80.9557 -72.3222 -25.5604 78.7435 PRESSAVG: 1467000 17.7398 -33.8334 10.5295 -33.8334 1.30936 4.83877 10.5295 4.83877 -19.3486 GPRESSAVG: 1467000 17.8869 -31.3232 11.3429 -36.3089 0.452421 6.03671 10.6046 5.65263 -19.1136 TIMING: 1467000 CPU: 4706.54, 0.00316568/step Wall: 4706.54, 0.00316568/step, 3.10676 hours remaining, 233.238281 MB of memory in use. ENERGY: 1467000 3994.6827 20595.4350 14467.3799 252.9661 -202716.3307 2109.3009 0.0000 0.0000 51925.7007 -109370.8654 298.4177 -161296.5661 -109022.3886 300.0388 -70.6188 -39.1635 759618.9819 -0.0998 -0.2581 PRESSURE: 1467200 201.332 177.263 61.0076 177.263 429.266 70.4996 61.007 70.498 -349.79 GPRESSURE: 1467200 300.757 209.019 149.663 178.376 410.677 39.1623 -87.1148 126.134 -338.554 PRESSAVG: 1467200 9.64981 18.326 15.552 18.326 -11.0483 37.2805 15.5521 37.2805 15.0308 GPRESSAVG: 1467200 9.05638 18.3257 17.0882 17.761 -10.2076 36.5615 11.936 35.8135 15.1206 TIMING: 1467200 CPU: 4707.17, 0.00316537/step Wall: 4707.17, 0.00316537/step, 3.10628 hours remaining, 233.238281 MB of memory in use. ENERGY: 1467200 4017.0453 20367.0181 14449.9851 233.9386 -203092.2407 2401.2895 0.0000 0.0000 52247.0247 -109375.9393 300.2644 -161622.9640 -109005.4945 299.5710 93.6025 124.2933 759074.6031 4.5441 4.6565 PRESSURE: 1467400 -80.1226 121.883 59.5993 121.884 -265.5 30.0984 59.5998 30.0981 286.576 GPRESSURE: 1467400 -16.3912 165.238 47.3349 141.56 -217.14 22.7112 103.583 -10.0528 252.419 PRESSAVG: 1467400 48.5857 1.25036 48.3833 1.25032 -33.6853 -11.618 48.3833 -11.618 22.7098 GPRESSAVG: 1467400 49.1496 1.25035 46.5543 3.69333 -32.2451 -10.9291 54.0874 -10.8622 20.8111 TIMING: 1467400 CPU: 4707.82, 0.00323863/step Wall: 4707.82, 0.00323863/step, 3.178 hours remaining, 233.238281 MB of memory in use. ENERGY: 1467400 3928.7443 20536.0292 14473.2987 236.8226 -203076.2511 2388.6556 0.0000 0.0000 52194.0863 -109318.6144 299.9601 -161512.7007 -108969.7717 299.7066 -19.6823 6.2959 758959.7480 12.5367 12.5719 PRESSURE: 1467600 -147.594 77.9739 139.998 77.9741 97.0519 -188.74 139.998 -188.74 -267.916 GPRESSURE: 1467600 -122.908 53.2733 188.812 48.2895 187.825 -132.736 178.754 -314.633 -268.738 PRESSAVG: 1467600 2.61009 -55.794 -8.49552 -55.794 1.00722 -9.5858 -8.49554 -9.58576 13.2333 GPRESSAVG: 1467600 3.71488 -54.6409 -10.2962 -57.9898 0.374499 -11.6367 -10.2163 -8.15227 13.7152 TIMING: 1467600 CPU: 4708.46, 0.00320472/step Wall: 4708.46, 0.00320472/step, 3.14454 hours remaining, 233.238281 MB of memory in use. ENERGY: 1467600 3928.6245 20435.7965 14361.0968 250.3424 -202958.0310 2284.1112 0.0000 0.0000 52379.2316 -109318.8280 301.0242 -161698.0596 -108950.0377 299.7646 -106.1527 -67.9406 760347.5821 5.6169 5.9348 PRESSURE: 1467800 237.154 30.2349 -160.016 30.2348 -249.087 -142.741 -160.016 -142.741 -294.199 GPRESSURE: 1467800 184.315 31.3752 -43.1012 -40.5011 -209.717 -75.4271 -275.328 -45.396 -192.64 PRESSAVG: 1467800 36.885 -19.6731 -7.45142 -19.673 -54.4357 -19.5049 -7.45144 -19.5049 -2.6296 GPRESSAVG: 1467800 35.5241 -20.5186 -6.1956 -19.7577 -53.9783 -17.4353 -8.68856 -20.821 -2.02356 TIMING: 1467800 CPU: 4709.09, 0.00316743/step Wall: 4709.09, 0.00316743/step, 3.10778 hours remaining, 233.238281 MB of memory in use. ENERGY: 1467800 4007.1362 20553.5090 14405.4120 255.1220 -202977.1055 2338.0229 0.0000 0.0000 52145.9944 -109271.9090 299.6837 -161417.9035 -108919.9502 300.0198 -102.0440 -72.6806 760778.0308 -6.7268 -6.8259 PRESSURE: 1468000 99.238 -181.956 5.30473 -181.956 -390.341 75.2242 5.30463 75.223 6.07315 GPRESSURE: 1468000 95.4124 -172.792 64.6594 -151.837 -271.634 27.013 -47.5497 65.2485 -33.0182 PRESSAVG: 1468000 70.1635 -4.01138 -53.9459 -4.01132 -25.5629 25.1979 -53.9459 25.198 6.4919 GPRESSAVG: 1468000 71.4763 -4.7632 -52.8244 -3.30747 -26.4152 24.5877 -53.9651 24.3509 5.97799 TIMING: 1468000 CPU: 4709.73, 0.00318962/step Wall: 4709.73, 0.00318962/step, 3.12937 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 4028.1684 20541.4869 14456.4821 238.8437 -203102.5775 2572.5771 0.0000 0.0000 51877.2534 -109387.7659 298.1393 -161265.0193 -109027.1143 299.7167 -95.0100 -69.7465 760128.4090 17.0308 17.0130 PRESSURE: 1468200 -83.6053 -8.95241 -58.0026 -8.95326 54.5314 -201.244 -58.003 -201.244 243.777 GPRESSURE: 1468200 -20.6921 -48.4474 -35.5194 114.109 94.3972 -160.635 -69.4957 -269.437 216.865 PRESSAVG: 1468200 24.9901 -63.5154 -43.7106 -63.5154 -40.4994 40.6646 -43.7106 40.6646 -22.0667 GPRESSAVG: 1468200 25.6113 -63.568 -44.632 -63.8579 -41.7723 41.1151 -43.8491 39.3452 -21.7252 TIMING: 1468200 CPU: 4710.37, 0.00319969/step Wall: 4710.37, 0.00319969/step, 3.13908 hours remaining, 233.238281 MB of memory in use. ENERGY: 1468200 3935.7999 20396.1157 14393.8918 237.7521 -202831.7257 2205.3519 0.0000 0.0000 52163.7934 -109499.0209 299.7860 -161662.8143 -109133.8761 299.3960 71.5675 96.8568 759771.1211 -12.5253 -12.6288 LDB: ============= START OF LOAD BALANCING ============== 4722.8 LDB: ============== END OF LOAD BALANCING =============== 4722.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4722.8 LDB: ============= START OF LOAD BALANCING ============== 4723.13 LDB: Largest compute 7043 load 0.033945 is 17.4% of average load 0.195395 LDB: Average compute 0.004382 is 2.2% of average load 0.195395 LDB: TIME 4723.13 LOAD: AVG 0.195395 MAX 0.214149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.602 MB LDB: TIME 4723.13 LOAD: AVG 0.195395 MAX 0.214149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.602 MB LDB: TIME 4723.13 LOAD: AVG 0.195395 MAX 0.214149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.602 MB LDB: ============== END OF LOAD BALANCING =============== 4723.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4723.14 PRESSURE: 1468400 13.3132 -113.259 -248.991 -113.258 124.658 -104.785 -248.992 -104.784 266.004 GPRESSURE: 1468400 32.6006 -40.2224 -185.754 63.8929 161.172 -29.7679 -218.187 -82.8196 286.36 PRESSAVG: 1468400 -58.8548 -16.1484 8.71037 -16.1484 55.2573 -32.342 8.71038 -32.342 11.0221 GPRESSAVG: 1468400 -59.4043 -16.1237 8.9829 -16.1883 55.9751 -33.4184 10.7328 -30.7585 11.1432 TIMING: 1468400 CPU: 4711.03, 0.00329394/step Wall: 4711.03, 0.00329394/step, 3.23135 hours remaining, 231.375000 MB of memory in use. ENERGY: 1468400 3905.7558 20486.8235 14454.6044 253.0145 -203002.3517 2556.4551 0.0000 0.0000 51953.0402 -109392.6582 298.5748 -161345.6984 -109040.2100 299.3187 134.6584 160.0442 761371.6118 2.4749 2.5713 PRESSURE: 1468600 103.78 -247.586 -154.915 -247.586 -148.435 78.0769 -154.915 78.076 70.696 GPRESSURE: 1468600 106.168 -315.303 -148.681 -234.3 -82.4093 160.486 -91.3569 38.7018 87.5008 PRESSAVG: 1468600 -7.32524 -39.3668 30.0357 -39.3668 -8.87696 5.39119 30.0356 5.39124 11.9546 GPRESSAVG: 1468600 -8.28633 -40.0605 30.8061 -37.6713 -7.98402 5.87056 29.6763 4.34319 12.329 TIMING: 1468600 CPU: 4711.66, 0.00316072/step Wall: 4711.66, 0.00316072/step, 3.10049 hours remaining, 231.578125 MB of memory in use. ENERGY: 1468600 3943.3251 20497.0060 14437.2657 243.8585 -203242.7443 2496.7050 0.0000 0.0000 51946.7229 -109677.8611 298.5385 -161624.5840 -109326.2359 299.1865 8.6804 37.0865 761361.8772 -1.4159 -1.3138 PRESSURE: 1468800 -179.713 -83.9878 8.41249 -83.9873 255.747 -74.1195 8.41199 -74.1191 120.684 GPRESSURE: 1468800 -116.71 -32.8923 43.8672 -5.35503 259.443 -68.3804 -75.3544 -24.5523 132.111 PRESSAVG: 1468800 -38.6732 -69.9706 -55.7434 -69.9707 45.3991 31.4497 -55.7434 31.4496 -10.9987 GPRESSAVG: 1468800 -37.964 -70.8307 -55.5586 -69.8471 44.5977 31.4728 -57.9741 31.0574 -10.943 TIMING: 1468800 CPU: 4712.3, 0.00318627/step Wall: 4712.3, 0.00318627/step, 3.12538 hours remaining, 231.578125 MB of memory in use. ENERGY: 1468800 4012.2825 20374.3181 14439.1813 252.6585 -203112.3212 2352.5623 0.0000 0.0000 52027.3063 -109654.0122 299.0016 -161681.3185 -109301.8936 298.9667 65.5729 91.6145 760976.8122 -1.4243 -1.4364 PRESSURE: 1469000 37.3861 18.9146 39.0491 18.9146 10.6465 19.833 39.0494 19.833 -195.436 GPRESSURE: 1469000 9.15959 8.40292 46.012 43.9732 56.0695 -103.664 52.2343 72.6535 -137.588 PRESSAVG: 1469000 -6.55655 -29.3531 -4.21411 -29.3531 -43.4744 26.8484 -4.21409 26.8485 6.72093 GPRESSAVG: 1469000 -7.23411 -28.3331 -5.42858 -30.4743 -44.4356 27.2736 -0.919255 29.7104 7.27726 TIMING: 1469000 CPU: 4712.93, 0.00315504/step Wall: 4712.93, 0.00315504/step, 3.09457 hours remaining, 231.578125 MB of memory in use. ENERGY: 1469000 3860.9173 20324.1220 14412.0886 254.3917 -202555.2306 1964.2693 0.0000 0.0000 52092.6071 -109646.8345 299.3769 -161739.4416 -109294.1106 299.1107 -49.1345 -24.1196 761576.9499 -14.4367 -14.7975 PRESSURE: 1469200 -183.623 -298.432 -303.354 -298.432 -156.405 -46.8237 -303.354 -46.8236 -376.906 GPRESSURE: 1469200 -140.358 -322.073 -267.328 -191.875 -185.797 -104.904 -278.064 -103.704 -287.125 PRESSAVG: 1469200 10.4906 -18.7874 -16.3406 -18.7874 -3.97384 -13.8566 -16.3406 -13.8565 -10.0386 GPRESSAVG: 1469200 10.7156 -16.6845 -15.3111 -21.5283 -3.62038 -14.5143 -18.8034 -15.7611 -10.5951 TIMING: 1469200 CPU: 4713.56, 0.00314724/step Wall: 4713.56, 0.00314723/step, 3.08674 hours remaining, 231.578125 MB of memory in use. ENERGY: 1469200 3996.9086 20648.9945 14351.4578 246.7147 -202954.8328 2184.5795 0.0000 0.0000 51901.3761 -109624.8016 298.2779 -161526.1776 -109266.7727 299.3613 -238.9783 -204.4268 759906.2677 -1.1739 -1.1666 PRESSURE: 1469400 189.982 49.9385 2.10533 49.9384 283.97 243.495 2.10539 243.494 224.166 GPRESSURE: 1469400 257.499 3.52633 22.5345 128.573 298.906 306.911 -25.1237 223.316 224.239 PRESSAVG: 1469400 10.0697 -31.8958 -13.2977 -31.8959 -31.2789 46.4319 -13.2977 46.4319 -13.7137 GPRESSAVG: 1469400 9.63327 -35.878 -14.395 -28.0115 -30.2075 48.9943 -12.6727 45.0115 -14.7741 TIMING: 1469400 CPU: 4714.19, 0.00316295/step Wall: 4714.19, 0.00316295/step, 3.10198 hours remaining, 231.578125 MB of memory in use. ENERGY: 1469400 3918.1671 20476.2843 14437.0959 242.0880 -203502.3859 2650.7375 0.0000 0.0000 52114.1446 -109663.8687 299.5007 -161778.0133 -109315.8788 298.8870 232.7063 260.2147 759264.9146 -11.6410 -11.7828 PRESSURE: 1469600 -276.164 -143.46 49.8761 -143.459 -273.755 127.795 49.8758 127.796 -602.172 GPRESSURE: 1469600 -315.675 -191.119 68.4006 -37.3653 -200.162 139.857 -2.37589 24.6039 -555.563 PRESSAVG: 1469600 16.1359 -47.2771 9.23124 -47.2771 4.8722 27.9228 9.23137 27.9228 -0.603732 GPRESSAVG: 1469600 16.3002 -45.4675 10.7844 -48.2891 2.89133 25.5833 8.93204 29.6084 1.1205 TIMING: 1469600 CPU: 4714.82, 0.00314679/step Wall: 4714.82, 0.00314679/step, 3.08595 hours remaining, 231.578125 MB of memory in use. ENERGY: 1469600 4124.4020 20399.9492 14307.6162 249.8062 -203162.6472 2146.6567 0.0000 0.0000 52143.0795 -109791.1373 299.6670 -161934.2169 -109432.3533 299.0728 -384.0303 -357.1334 758690.3931 6.8015 6.7707 PRESSURE: 1469800 78.3094 13.4523 -258.358 13.4518 -324.032 307.074 -258.359 307.073 114.673 GPRESSURE: 1469800 125.029 -44.0974 -266.28 -2.76218 -198.75 273.528 -260.726 106.138 30.5224 PRESSAVG: 1469800 -2.09761 -50.1002 -49.1163 -50.1001 -38.5431 86.9731 -49.1162 86.9731 3.82493 GPRESSAVG: 1469800 -2.35489 -48.8321 -49.1765 -49.297 -38.7335 87.6182 -49.5071 86.3975 4.19673 TIMING: 1469800 CPU: 4715.46, 0.00318076/step Wall: 4715.46, 0.00318076/step, 3.11909 hours remaining, 231.578125 MB of memory in use. ENERGY: 1469800 4025.2487 20421.6606 14465.6729 230.6999 -203255.7816 2491.2819 0.0000 0.0000 51844.2973 -109776.9204 297.9499 -161621.2176 -109425.3553 298.9976 -43.6829 -14.3996 758777.7405 -12.2719 -12.2972 PRESSURE: 1470000 170.106 -0.235089 59.761 -0.235205 200.349 -143.329 59.7611 -143.327 175.51 GPRESSURE: 1470000 261.271 -123.174 213.918 28.9284 219.1 -152.948 70.8639 -9.53995 163.695 PRESSAVG: 1470000 7.8748 -40.1571 -19.5216 -40.1571 10.5687 62.6178 -19.5216 62.6177 -17.7785 GPRESSAVG: 1470000 7.59146 -40.8479 -20.0633 -41.3989 12.6079 61.2996 -21.2431 63.9118 -18.8277 TIMING: 1470000 CPU: 4716.1, 0.00320825/step Wall: 4716.1, 0.00320825/step, 3.14587 hours remaining, 231.578125 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: 1470000 3961.2581 20341.4077 14455.8488 252.2226 -203480.3237 2580.7781 0.0000 0.0000 51963.9385 -109924.8700 298.6375 -161888.8084 -109560.4616 298.3971 181.9884 214.6885 758742.3644 0.2216 0.4572 PRESSURE: 1470200 377.739 -56.8627 -265.8 -56.8629 33.9716 247.78 -265.8 247.781 -108.446 GPRESSURE: 1470200 331.382 -47.324 -222.609 -116.115 127.789 313.681 -200.35 187.548 -75.9729 PRESSAVG: 1470200 -56.4802 -37.6436 -46.746 -37.6436 48.9716 40.399 -46.746 40.3989 -11.3844 GPRESSAVG: 1470200 -56.098 -40.6082 -45.6407 -37.843 48.7299 42.9355 -43.2646 40.244 -12.131 TIMING: 1470200 CPU: 4716.74, 0.00317812/step Wall: 4716.74, 0.00317812/step, 3.11614 hours remaining, 231.578125 MB of memory in use. ENERGY: 1470200 3953.3112 20474.7178 14503.0054 254.9012 -203383.4416 2459.4064 0.0000 0.0000 52004.2563 -109733.8433 298.8692 -161738.0996 -109374.9661 299.1129 101.0880 127.7328 759372.4241 -6.2977 -6.4997 PRESSURE: 1470400 48.7106 -120.26 -227.886 -120.259 319.927 77.917 -227.887 77.9175 -328.481 GPRESSURE: 1470400 174.348 -109.703 -174.35 -101.221 312.648 71.2438 -253.507 86.6198 -358.14 PRESSAVG: 1470400 -63.2386 -64.7211 -65.899 -64.721 71.1072 38.0873 -65.899 38.0874 -1.38777 GPRESSAVG: 1470400 -63.6495 -61.7149 -65.9415 -65.963 70.2813 37.1056 -69.2603 36.6241 -0.0105695 TIMING: 1470400 CPU: 4717.37, 0.00318174/step Wall: 4717.37, 0.00318174/step, 3.11952 hours remaining, 231.578125 MB of memory in use. ENERGY: 1470400 3966.7485 20385.6402 14470.8114 233.2689 -202972.3546 2349.7857 0.0000 0.0000 52075.7105 -109490.3893 299.2798 -161566.0998 -109110.8487 299.0894 13.3858 42.9523 759986.9174 2.1603 2.2071 PRESSURE: 1470600 -3.96515 -157.901 122.041 -157.901 89.3849 32.8626 122.041 32.8623 -161.344 GPRESSURE: 1470600 10.4315 -107.748 128.877 -69.9557 151.127 -56.264 96.3642 137.638 -139.909 PRESSAVG: 1470600 15.5863 -11.2561 15.4309 -11.2561 5.13467 34.3473 15.4309 34.3474 4.16853 GPRESSAVG: 1470600 16.5001 -11.9239 13.2927 -9.55857 5.58034 34.295 17.0028 36.9766 2.35408 TIMING: 1470600 CPU: 4718, 0.00316005/step Wall: 4718, 0.00316005/step, 3.09808 hours remaining, 231.578125 MB of memory in use. ENERGY: 1470600 4024.5074 20488.4286 14417.2349 253.9727 -203565.3351 2480.8859 0.0000 0.0000 52330.7525 -109569.5531 300.7456 -161900.3055 -109197.8064 299.6588 -25.3080 7.2166 760241.3750 8.2965 8.1448 PRESSURE: 1470800 146.509 87.025 -184.417 87.025 10.1118 70.1919 -184.417 70.1917 23.1864 GPRESSURE: 1470800 241.912 166.978 -88.9274 161.266 66.28 73.1494 -132.525 26.8281 -40.9012 PRESSAVG: 1470800 46.2281 -79.0737 -17.1323 -79.0737 -70.8441 -12.2812 -17.1324 -12.2811 -21.4241 GPRESSAVG: 1470800 44.8317 -81.3157 -15.7852 -78.1983 -70.2904 -13.5044 -17.7978 -14.5256 -20.579 TIMING: 1470800 CPU: 4718.64, 0.00316609/step Wall: 4718.64, 0.00316609/step, 3.10382 hours remaining, 231.578125 MB of memory in use. ENERGY: 1470800 3913.0848 20493.2544 14455.8895 239.3970 -203090.2924 2503.5077 0.0000 0.0000 51955.3766 -109529.7824 298.5883 -161485.1590 -109157.8772 299.4284 59.9356 89.0969 760935.2042 -15.3467 -15.3459 PRESSURE: 1471000 -193.82 109.936 -182.735 109.935 -150.96 -53.5843 -182.735 -53.5849 48.1506 GPRESSURE: 1471000 -42.7155 193.445 -160.868 149.287 -131.086 -103.495 -116.742 -4.07261 -10.4217 PRESSAVG: 1471000 3.62258 16.9128 -22.4662 16.9129 -22.1755 16.1077 -22.4662 16.1077 -7.07208 GPRESSAVG: 1471000 4.24562 18.842 -23.7625 16.5951 -23.6576 17.2626 -20.7663 14.0354 -6.46458 TIMING: 1471000 CPU: 4719.27, 0.00316456/step Wall: 4719.27, 0.00316456/step, 3.10215 hours remaining, 231.578125 MB of memory in use. ENERGY: 1471000 4047.8531 20464.0351 14461.0907 231.2050 -203521.5259 2736.8044 0.0000 0.0000 52095.6905 -109484.8471 299.3946 -161580.5376 -109117.6917 299.6247 -98.8764 -61.4077 759853.8951 -8.5417 -8.6255 PRESSURE: 1471200 -161.024 -168.833 28.2392 -168.833 -291.092 -102.668 28.2398 -102.668 -436.752 GPRESSURE: 1471200 -115.908 -199.884 -65.361 -234.936 -275.163 30.7991 54.1666 -46.4332 -398.551 PRESSAVG: 1471200 24.0717 5.30094 6.62058 5.30096 -27.2235 4.75537 6.62064 4.75536 12.403 GPRESSAVG: 1471200 24.3064 5.42296 7.37962 3.35207 -26.972 6.95278 6.46589 6.48037 11.9178 TIMING: 1471200 CPU: 4719.9, 0.00316133/step Wall: 4719.9, 0.00316133/step, 3.0988 hours remaining, 231.578125 MB of memory in use. ENERGY: 1471200 4034.0585 20430.4880 14437.2057 237.4769 -203007.7118 2040.9281 0.0000 0.0000 52152.6561 -109674.8984 299.7220 -161827.5545 -109300.2067 299.5431 -296.2893 -263.2072 761663.4716 3.0837 3.0841 PRESSURE: 1471400 190.996 -198.821 -131.721 -198.821 -245.24 -53.307 -131.722 -53.3065 7.67122 GPRESSURE: 1471400 190.039 -174.5 -129.593 -117.897 -191.811 -110.44 -181.258 -77.531 47.1223 PRESSAVG: 1471400 54.7065 34.927 -7.66044 34.927 -9.94677 4.5533 -7.66046 4.55326 18.3573 GPRESSAVG: 1471400 54.0501 34.8078 -7.90013 36.2372 -9.90867 0.557366 -8.08435 8.30106 18.4565 TIMING: 1471400 CPU: 4720.54, 0.00319/step Wall: 4720.54, 0.00319/step, 3.12673 hours remaining, 231.578125 MB of memory in use. ENERGY: 1471400 4017.3933 20386.7546 14531.7394 244.6946 -203379.4018 2284.5610 0.0000 0.0000 52124.5921 -109789.6669 299.5607 -161914.2590 -109426.5590 299.1016 -15.5242 15.1169 758690.4239 21.0390 20.8660 PRESSURE: 1471600 106.238 -115.343 8.57641 -115.344 141.827 157.942 8.57663 157.941 56.0204 GPRESSURE: 1471600 188.468 -166.666 2.16719 -151.476 124.384 124.473 98.3469 55.1309 70.9931 PRESSAVG: 1471600 13.9437 -24.6183 -0.287478 -24.6183 -54.567 28.7842 -0.287468 28.7841 -14.2907 GPRESSAVG: 1471600 15.0116 -25.5502 -1.48848 -24.525 -55.7607 30.7278 -1.12669 25.0796 -14.0991 TIMING: 1471600 CPU: 4721.17, 0.00316259/step Wall: 4721.17, 0.00316259/step, 3.09969 hours remaining, 231.578125 MB of memory in use. ENERGY: 1471600 3898.2879 20655.2840 14478.8595 241.5029 -203396.5641 2423.4658 0.0000 0.0000 51941.0759 -109758.0881 298.5061 -161699.1640 -109408.6154 299.2828 101.3618 127.9484 759971.2518 -18.3046 -18.2827 PRESSURE: 1471800 5.09203 -23.1226 195.436 -23.1227 146.836 -15.3345 195.436 -15.3356 -52.8499 GPRESSURE: 1471800 31.56 14.661 177.625 45.2272 172.709 -2.49997 167.17 -26.2587 -47.253 PRESSAVG: 1471800 91.4766 -54.905 52.4938 -54.9051 -30.4301 -25.3825 52.4938 -25.3825 3.58416 GPRESSAVG: 1471800 91.7286 -53.5895 53.0022 -55.033 -30.7344 -27.8716 52.4131 -24.103 3.61434 TIMING: 1471800 CPU: 4721.81, 0.00317218/step Wall: 4721.81, 0.00317218/step, 3.10891 hours remaining, 231.578125 MB of memory in use. ENERGY: 1471800 4002.3629 20487.4370 14532.7224 269.5657 -203683.5437 2468.0685 0.0000 0.0000 52141.7153 -109781.6719 299.6592 -161923.3872 -109422.5858 299.6961 33.0261 52.3386 759295.9623 21.5435 21.5362 PRESSURE: 1472000 86.6589 -283.626 -40.6374 -283.624 -104.209 134.059 -40.6373 134.06 -252.549 GPRESSURE: 1472000 143.928 -275.168 -4.2123 -179.905 -121.878 117.357 -46.3427 149.086 -192.661 PRESSAVG: 1472000 80.5021 -16.2687 25.0408 -16.2687 -82.5784 -0.786705 25.0408 -0.78661 -14.9073 GPRESSAVG: 1472000 78.6972 -17.0157 25.1608 -17.6237 -81.7163 -0.182714 26.5266 -0.875367 -13.8842 TIMING: 1472000 CPU: 4722.44, 0.00315495/step Wall: 4722.44, 0.00315495/step, 3.09185 hours remaining, 231.578125 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: 1472000 3995.4092 20548.3545 14458.3364 241.7432 -203000.1955 2208.5968 0.0000 0.0000 51902.3394 -109645.4161 298.2835 -161547.7555 -109282.2447 299.6250 -90.0331 -56.8705 762521.4014 -5.6612 -5.6345 PRESSURE: 1472200 -64.7621 -49.5309 -200.138 -49.5322 -206.62 -93.3766 -200.138 -93.3768 -293.532 GPRESSURE: 1472200 -57.0832 -6.2381 -209.231 -135.463 -149.484 -96.7019 -135.756 -31.3907 -282.875 PRESSAVG: 1472200 -11.4086 28.0386 10.4101 28.0385 -45.5271 -9.16885 10.4101 -9.16884 10.7878 GPRESSAVG: 1472200 -9.83145 30.2424 11.6631 29.8923 -45.7635 -7.54445 9.3825 -8.76671 9.4037 TIMING: 1472200 CPU: 4723.07, 0.00314116/step Wall: 4723.07, 0.00314116/step, 3.07816 hours remaining, 231.578125 MB of memory in use. ENERGY: 1472200 3982.8170 20429.0386 14395.7523 232.4229 -203280.6631 2448.9930 0.0000 0.0000 52203.4135 -109588.2258 300.0137 -161791.6393 -109223.0331 299.0644 -188.3048 -163.1472 761834.0747 -15.3826 -15.3971 LDB: ============= START OF LOAD BALANCING ============== 4735.49 LDB: ============== END OF LOAD BALANCING =============== 4735.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4735.49 LDB: ============= START OF LOAD BALANCING ============== 4735.81 LDB: Largest compute 7074 load 0.038936 is 19.9% of average load 0.195332 LDB: Average compute 0.004376 is 2.2% of average load 0.195332 LDB: TIME 4735.81 LOAD: AVG 0.195332 MAX 0.213328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.059 MB LDB: TIME 4735.82 LOAD: AVG 0.195332 MAX 0.213328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.156 MB LDB: TIME 4735.82 LOAD: AVG 0.195332 MAX 0.213328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.156 MB LDB: ============== END OF LOAD BALANCING =============== 4735.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4735.82 PRESSURE: 1472400 48.8782 92.6069 -36.9402 92.6071 -185.576 1.30389 -36.9405 1.30386 220.838 GPRESSURE: 1472400 114.302 71.2912 -48.2866 155.692 -111.959 -30.9726 -109.148 21.3518 159.518 PRESSAVG: 1472400 41.81 -28.0745 -3.76304 -28.0745 -33.8144 -15.9327 -3.76309 -15.9328 -7.58122 GPRESSAVG: 1472400 41.3731 -28.631 -5.58145 -27.0516 -33.7078 -17.2595 -3.18249 -15.8606 -7.72174 TIMING: 1472400 CPU: 4723.72, 0.00325096/step Wall: 4723.72, 0.00325096/step, 3.18558 hours remaining, 230.351562 MB of memory in use. ENERGY: 1472400 3972.0125 20535.9462 14496.9828 245.6097 -203321.1468 2514.9656 0.0000 0.0000 52136.1425 -109419.4875 299.6271 -161555.6300 -109062.5378 300.0061 28.0468 53.9539 759847.4021 0.1381 -0.0188 PRESSURE: 1472600 -15.4525 -175.019 79.9784 -175.019 -116.326 -149.153 79.9779 -149.152 459.625 GPRESSURE: 1472600 -32.9268 -174.822 113.081 -150.405 -50.4216 -170.955 106.668 -67.7328 499.277 PRESSAVG: 1472600 40.9687 -7.53435 53.7699 -7.53439 -47.7928 -5.53921 53.7699 -5.53906 -7.23513 GPRESSAVG: 1472600 40.9619 -8.57297 55.237 -7.03362 -48.9223 -5.84456 52.154 -4.88387 -6.3115 TIMING: 1472600 CPU: 4724.35, 0.00315379/step Wall: 4724.35, 0.00315379/step, 3.09019 hours remaining, 230.351562 MB of memory in use. ENERGY: 1472600 3934.1909 20771.5219 14452.4678 232.1741 -203331.9035 2479.0356 0.0000 0.0000 52283.3124 -109179.2007 300.4729 -161462.5132 -108825.4346 300.2835 109.2820 138.6427 760016.0731 -4.6864 -4.7573 PRESSURE: 1472800 -175.048 72.487 133.236 72.486 -139.806 -47.9059 133.236 -47.9061 -308.36 GPRESSURE: 1472800 -70.39 2.85575 190.034 126.585 -130.596 -47.7887 83.676 -127.93 -324.785 PRESSAVG: 1472800 21.1267 -9.66772 15.8072 -9.66779 -47.5331 -7.81955 15.8073 -7.81962 -4.20092 GPRESSAVG: 1472800 21.1055 -11.2216 16.3595 -10.906 -46.6038 -7.61347 17.5424 -7.05549 -5.02166 TIMING: 1472800 CPU: 4724.98, 0.00314873/step Wall: 4724.98, 0.00314873/step, 3.08506 hours remaining, 230.351562 MB of memory in use. ENERGY: 1472800 3943.5639 20595.3336 14478.8867 239.8228 -203177.7685 2294.6253 0.0000 0.0000 52189.0941 -109436.4421 299.9314 -161625.5362 -109070.0108 300.0720 -207.7382 -175.2570 760442.9190 -10.2025 -10.1733 PRESSURE: 1473000 -86.0345 -6.84038 -102.419 -6.84037 31.3052 -8.66916 -102.419 -8.66869 218.198 GPRESSURE: 1473000 43.8578 31.6727 -167.393 63.7553 2.52715 -57.4537 -174.055 123.352 200.582 PRESSAVG: 1473000 -13.5175 28.4864 -2.02057 28.4863 -15.133 4.79831 -2.02058 4.79824 -0.716425 GPRESSAVG: 1473000 -13.6296 31.3446 -2.2043 27.8126 -15.572 4.53924 -3.24794 5.75965 -0.680114 TIMING: 1473000 CPU: 4725.61, 0.00316045/step Wall: 4725.61, 0.00316045/step, 3.09637 hours remaining, 230.351562 MB of memory in use. ENERGY: 1473000 3989.5249 20602.0074 14428.5319 241.6516 -203587.0400 2676.9123 0.0000 0.0000 52327.8861 -109320.5260 300.7291 -161648.4120 -108967.0283 300.1809 54.4894 82.3225 760611.7035 -9.7890 -9.9606 PRESSURE: 1473200 16.004 55.1842 187.517 55.1846 157.278 -0.894635 187.517 -0.894628 21.7264 GPRESSURE: 1473200 33.1115 132.22 210.167 41.7602 231.497 27.1535 108.412 101.803 30.5546 PRESSAVG: 1473200 32.7342 42.8259 37.0764 42.8259 -12.9081 18.5815 37.0765 18.5815 15.0564 GPRESSAVG: 1473200 32.6273 41.177 36.5569 43.5348 -14.0638 18.0065 37.6437 18.6835 16.0314 TIMING: 1473200 CPU: 4726.24, 0.00316334/step Wall: 4726.24, 0.00316334/step, 3.09902 hours remaining, 230.351562 MB of memory in use. ENERGY: 1473200 3938.7236 20468.8102 14499.8073 252.9745 -203038.7768 2416.6301 0.0000 0.0000 52153.7130 -109308.1181 299.7281 -161461.8311 -108942.1445 300.0589 65.0029 98.3878 760153.3885 11.6275 11.5316 PRESSURE: 1473400 141.587 14.1949 -82.3344 14.1956 533.627 -103.589 -82.3348 -103.59 152.931 GPRESSURE: 1473400 200.139 59.4513 -128.899 -10.4545 506.452 -202.229 -99.1203 -41.4318 210.107 PRESSAVG: 1473400 35.7507 18.2789 -34.8412 18.2789 7.23114 0.636397 -34.8412 0.636506 -0.258227 GPRESSAVG: 1473400 36.1661 20.4281 -34.1544 17.8486 8.06019 -0.361302 -34.1025 0.403217 -1.64188 TIMING: 1473400 CPU: 4726.87, 0.00314047/step Wall: 4726.87, 0.00314047/step, 3.07644 hours remaining, 230.351562 MB of memory in use. ENERGY: 1473400 3980.6882 20506.6082 14476.0253 242.2980 -203375.4235 2572.8143 0.0000 0.0000 52081.2771 -109515.7122 299.3118 -161596.9893 -109155.3108 299.8774 276.0484 305.5660 758828.0823 14.2412 14.1948 PRESSURE: 1473600 37.9459 -22.9421 -35.7328 -22.9428 96.4247 -141.603 -35.7325 -141.604 -31.8127 GPRESSURE: 1473600 70.4958 -31.4027 -160.313 -5.47725 49.0556 -75.8766 10.23 -299.135 48.6076 PRESSAVG: 1473600 50.7328 -29.2675 -11.7441 -29.2675 -23.0062 0.0208348 -11.7441 0.0207984 1.1238 GPRESSAVG: 1473600 50.3224 -30.4733 -12.6792 -29.3748 -23.4819 1.02953 -14.0779 -3.34234 2.06184 TIMING: 1473600 CPU: 4727.5, 0.00315096/step Wall: 4727.5, 0.00315096/step, 3.08654 hours remaining, 230.351562 MB of memory in use. ENERGY: 1473600 3932.2772 20515.3239 14433.9495 240.0172 -203076.2521 2171.4129 0.0000 0.0000 52167.3245 -109615.9469 299.8063 -161783.2714 -109249.9903 299.5981 34.1860 56.0530 759139.9928 9.6168 9.6341 PRESSURE: 1473800 13.111 -75.6237 -83.9606 -75.6239 -342.302 97.9476 -83.9605 97.9457 -299.404 GPRESSURE: 1473800 79.616 -64.126 -8.79597 -23.4648 -317.754 167.343 -67.945 71.792 -305.82 PRESSAVG: 1473800 24.0572 25.0402 -27.6684 25.0402 3.17546 -2.10819 -27.6684 -2.10827 11.7372 GPRESSAVG: 1473800 23.197 25.0101 -26.8792 24.3084 4.41352 -1.86873 -26.5804 -1.43239 11.0013 TIMING: 1473800 CPU: 4728.13, 0.0031479/step Wall: 4728.13, 0.0031479/step, 3.08336 hours remaining, 230.351562 MB of memory in use. ENERGY: 1473800 3977.1200 20637.7948 14439.7512 251.9328 -203030.4472 2161.2421 0.0000 0.0000 52119.8832 -109442.7231 299.5337 -161562.6063 -109076.2716 299.3261 -209.5317 -181.3193 760437.2915 12.9900 12.8706 PRESSURE: 1474000 -197.996 -81.6632 76.2158 -81.6629 -107.767 -188.681 76.2158 -188.681 -135.282 GPRESSURE: 1474000 -168.077 -114.04 3.96556 -100.905 -109.335 -103.309 0.69526 -224.282 -74.5568 PRESSAVG: 1474000 -4.86627 26.2145 -7.25889 26.2144 6.97923 -25.7688 -7.25885 -25.769 7.68128 GPRESSAVG: 1474000 -4.9697 24.8376 -7.5354 28.1337 7.90037 -27.5918 -7.0042 -23.4813 7.3535 TIMING: 1474000 CPU: 4728.76, 0.00314176/step Wall: 4728.76, 0.00314176/step, 3.07718 hours remaining, 230.351562 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: 1474000 4003.1455 20597.6386 14434.3779 267.8594 -203033.0188 2312.0449 0.0000 0.0000 52025.6813 -109392.2713 298.9923 -161417.9526 -109023.3061 299.4994 -147.0151 -117.3227 761231.0104 3.2647 3.4281 PRESSURE: 1474200 33.6104 159.683 30.2376 159.683 236.818 3.01611 30.2391 3.01644 -269.853 GPRESSURE: 1474200 81.3659 118.373 155.172 76.4864 274.371 21.4186 -53.9401 -0.373338 -271.359 PRESSAVG: 1474200 30.5764 5.32504 7.11549 5.325 -49.7889 -2.6699 7.11556 -2.66986 -26.2367 GPRESSAVG: 1474200 31.3463 5.67553 7.36186 4.25276 -51.0988 -2.15293 9.05597 -3.4999 -25.8184 TIMING: 1474200 CPU: 4729.39, 0.00314134/step Wall: 4729.39, 0.00314134/step, 3.07659 hours remaining, 230.351562 MB of memory in use. ENERGY: 1474200 3955.7111 20572.3703 14459.0489 263.5520 -203407.7386 2539.9095 0.0000 0.0000 52163.4282 -109453.7187 299.7839 -161617.1469 -109090.6673 299.3582 0.1918 28.1260 761347.2222 -15.1497 -15.1903 PRESSURE: 1474400 -45.2079 -57.7358 -105.591 -57.7365 55.1386 39.2232 -105.592 39.2245 -342.775 GPRESSURE: 1474400 -76.4712 -11.9053 -108.292 -71.7301 135.908 29.0678 -133.623 72.1306 -300.692 PRESSAVG: 1474400 68.6721 -42.6756 1.6508 -42.6756 28.0316 -27.349 1.6508 -27.349 -5.87721 GPRESSAVG: 1474400 66.8789 -40.9433 1.58783 -44.4561 29.8307 -27.5965 1.31489 -27.7132 -6.19816 TIMING: 1474400 CPU: 4730.02, 0.00317611/step Wall: 4730.02, 0.00317611/step, 3.11047 hours remaining, 230.351562 MB of memory in use. ENERGY: 1474400 3970.5394 20420.8701 14504.9710 277.3511 -202593.0008 1831.1820 0.0000 0.0000 52155.9660 -109432.1210 299.7411 -161588.0871 -109073.2581 299.5216 -110.9480 -80.4182 760843.9233 30.2755 30.1705 PRESSURE: 1474600 240.692 -157.008 -20.7627 -157.008 -252.791 37.8285 -20.7626 37.8294 162.126 GPRESSURE: 1474600 256.987 -154.797 43.381 -146.771 -177.944 -21.8586 -103.961 -52.4541 154.503 PRESSAVG: 1474600 -15.1204 -43.063 28.8014 -43.063 -13.4596 -17.4595 28.8013 -17.4595 28.1275 GPRESSAVG: 1474600 -14.5898 -43.8483 27.8096 -41.703 -14.2939 -17.0927 28.6366 -18.9363 27.8116 TIMING: 1474600 CPU: 4730.66, 0.00318072/step Wall: 4730.66, 0.00318072/step, 3.11481 hours remaining, 230.351562 MB of memory in use. ENERGY: 1474600 3940.3032 20526.4346 14442.5841 254.2157 -202759.7256 2072.6088 0.0000 0.0000 52017.6258 -109505.9533 298.9460 -161523.5792 -109155.8635 299.3845 50.0087 77.8484 760214.4069 -0.1508 -0.3574 PRESSURE: 1474800 -97.1129 -184.271 24.5587 -184.272 -108.408 -48.7207 24.5586 -48.7208 -216.576 GPRESSURE: 1474800 9.37243 -194.824 62.2471 -127.259 -161.316 -73.7149 132.589 -9.576 -167.243 PRESSAVG: 1474800 -14.3482 -102.158 -14.0184 -102.158 -20.5876 17.6433 -14.0183 17.6433 -8.55756 GPRESSAVG: 1474800 -13.8782 -101.768 -13.4452 -100.432 -22.0762 17.4572 -15.9127 18.0838 -7.61759 TIMING: 1474800 CPU: 4731.29, 0.00316621/step Wall: 4731.29, 0.00316621/step, 3.10042 hours remaining, 230.351562 MB of memory in use. ENERGY: 1474800 3908.4896 20542.9281 14457.2763 244.6676 -203019.3582 2236.4913 0.0000 0.0000 52107.2115 -109522.2938 299.4609 -161629.5053 -109159.0058 299.0259 -140.6991 -106.3955 762087.7081 -14.4978 -14.5240 PRESSURE: 1475000 322.735 141.171 -3.04347 141.17 -96.7457 222.751 -3.04344 222.751 389.699 GPRESSURE: 1475000 309.946 28.5837 -27.1832 84.2932 12.0665 281.551 88.6138 124.933 386.816 PRESSAVG: 1475000 7.73128 -36.2766 -13.7478 -36.2766 -18.5027 32.081 -13.7477 32.0809 8.31054 GPRESSAVG: 1475000 8.00724 -36.3212 -14.3609 -37.3504 -17.8911 32.2902 -12.511 31.8029 7.41079 TIMING: 1475000 CPU: 4731.93, 0.00317988/step Wall: 4731.93, 0.00317988/step, 3.11363 hours remaining, 230.351562 MB of memory in use. ENERGY: 1475000 3978.1731 20562.6304 14394.9117 249.3630 -203404.9050 2565.3674 0.0000 0.0000 51893.6983 -109760.7611 298.2338 -161654.4594 -109401.2753 299.1556 205.2296 236.2761 759929.4537 -0.8203 -0.8244 PRESSURE: 1475200 2.68201 13.8428 -0.288771 13.8429 -39.181 95.2205 -0.287933 95.2197 288.272 GPRESSURE: 1475200 60.4097 43.415 -24.6779 93.3346 -28.6036 97.8459 20.7647 91.7337 309.298 PRESSAVG: 1475200 31.8517 -94.3649 23.8195 -94.3649 -33.1806 23.1608 23.8195 23.1607 -6.25534 GPRESSAVG: 1475200 31.4489 -95.5829 25.1347 -94.6268 -32.9169 21.7519 24.353 22.7112 -5.94932 TIMING: 1475200 CPU: 4732.56, 0.00315645/step Wall: 4732.56, 0.00315645/step, 3.09052 hours remaining, 230.351562 MB of memory in use. ENERGY: 1475200 4076.9590 20516.4265 14414.5702 265.6243 -203424.4126 2568.7389 0.0000 0.0000 51855.5772 -109726.5164 298.0147 -161582.0936 -109371.7710 298.8605 83.9245 113.7015 760093.7460 -2.5281 -2.4725 PRESSURE: 1475400 427.307 -28.1119 -315.557 -28.1132 57.8634 -90.8275 -315.557 -90.827 14.6948 GPRESSURE: 1475400 421.783 13.495 -227.528 -11.1993 43.9019 -178.36 -194.811 12.3622 108.29 PRESSAVG: 1475400 19.4239 -77.4196 -0.56466 -77.4196 -13.2173 -6.44259 -0.5647 -6.44262 5.8151 GPRESSAVG: 1475400 18.863 -74.7338 -0.960117 -78.2952 -13.9341 -4.89031 -1.12296 -4.69221 6.91085 TIMING: 1475400 CPU: 4733.19, 0.00313954/step Wall: 4733.19, 0.00313954/step, 3.07378 hours remaining, 230.351562 MB of memory in use. ENERGY: 1475400 4009.4695 20397.4121 14404.1149 254.0872 -203667.3133 2601.0133 0.0000 0.0000 52167.8765 -109833.3398 299.8095 -162001.2163 -109465.9583 298.6157 166.6216 191.3250 758404.2087 4.0072 3.9466 PRESSURE: 1475600 99.8889 -214.494 22.6858 -214.495 94.882 -253.16 22.6854 -253.161 408.351 GPRESSURE: 1475600 194.631 -319.437 -26.3515 -261.002 107.538 -202.058 -67.2621 -202.272 389.733 PRESSAVG: 1475600 -11.0734 -87.3581 -19.3822 -87.3581 33.9493 -23.3641 -19.3823 -23.364 18.3641 GPRESSAVG: 1475600 -9.96858 -90.7575 -20.2536 -87.4701 35.3516 -24.3258 -18.0803 -24.9739 16.216 TIMING: 1475600 CPU: 4733.82, 0.00315172/step Wall: 4733.82, 0.00315172/step, 3.08554 hours remaining, 230.351562 MB of memory in use. ENERGY: 1475600 4020.2566 20521.4538 14393.0974 238.8270 -203347.9295 2478.8739 0.0000 0.0000 51729.7293 -109965.6915 297.2915 -161695.4208 -109613.4572 298.4064 201.0407 230.6340 758826.2302 13.7467 13.8663 PRESSURE: 1475800 -21.9355 -63.3325 -219.375 -63.3332 128.999 -16.6974 -219.374 -16.6969 237.907 GPRESSURE: 1475800 -16.3478 210.754 -171.718 -70.7396 200.125 -106.52 -126.803 27.9495 226.211 PRESSAVG: 1475800 -33.774 -20.925 -66.4135 -20.925 9.7104 2.78827 -66.4135 2.78817 28.8052 GPRESSAVG: 1475800 -33.45 -19.911 -65.7761 -18.4191 8.47473 4.89362 -69.3116 2.81227 30.5382 TIMING: 1475800 CPU: 4734.45, 0.00315941/step Wall: 4734.45, 0.00315941/step, 3.09288 hours remaining, 230.351562 MB of memory in use. ENERGY: 1475800 4040.7864 20572.5653 14386.6494 241.5041 -203479.4019 2545.9698 0.0000 0.0000 51911.5767 -109780.3502 298.3365 -161691.9269 -109435.2045 298.5258 114.9901 136.6626 761570.3611 1.5805 1.8543 PRESSURE: 1476000 86.8492 -101.965 -37.3512 -101.965 225.367 215.613 -37.3512 215.613 706.885 GPRESSURE: 1476000 111.235 -169.791 -10.5436 -129.327 318.662 150.182 36.3637 25.9538 680.975 PRESSAVG: 1476000 -12.5035 -52.1434 -52.34 -52.1434 9.37513 -10.9424 -52.3401 -10.9424 2.84422 GPRESSAVG: 1476000 -12.263 -52.7287 -51.4205 -53.5824 9.71079 -13.1448 -51.2064 -10.0821 2.45408 TIMING: 1476000 CPU: 4735.09, 0.00319366/step Wall: 4735.09, 0.00319367/step, 3.12624 hours remaining, 230.351562 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: 1476000 3891.1853 20438.1892 14444.0465 252.3202 -203595.8805 2728.9145 0.0000 0.0000 51833.4283 -110007.7965 297.8874 -161841.2248 -109656.7579 298.6442 339.7006 370.2903 761270.7420 -0.0947 -0.0327 PRESSURE: 1476200 -379.296 -70.0121 20.8164 -70.0117 -52.4015 -219.349 20.8166 -219.348 -440.725 GPRESSURE: 1476200 -428.725 -80.6272 -36.8654 72.5964 32.1619 -166.929 -10.038 -86.4391 -390.536 PRESSAVG: 1476200 17.1008 -39.0973 -18.5142 -39.0973 14.8986 -46.5021 -18.5141 -46.5021 1.6014 GPRESSAVG: 1476200 17.8537 -39.689 -18.2942 -38.7926 15.0638 -46.1044 -18.8358 -44.6971 1.05379 TIMING: 1476200 CPU: 4735.72, 0.00316062/step Wall: 4735.72, 0.00316062/step, 3.09372 hours remaining, 230.351562 MB of memory in use. ENERGY: 1476200 4008.8679 20304.0719 14508.3315 243.9925 -203861.4425 2671.7447 0.0000 0.0000 52020.3259 -110104.1083 298.9615 -162124.4341 -109745.7588 298.1949 -290.8075 -262.3662 760709.9724 11.2003 11.3238 LDB: ============= START OF LOAD BALANCING ============== 4748.14 LDB: ============== END OF LOAD BALANCING =============== 4748.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4748.14 LDB: ============= START OF LOAD BALANCING ============== 4748.46 LDB: Largest compute 7066 load 0.033700 is 17.3% of average load 0.195315 LDB: Average compute 0.004398 is 2.3% of average load 0.195315 LDB: TIME 4748.46 LOAD: AVG 0.195315 MAX 0.212076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 4748.47 LOAD: AVG 0.195315 MAX 0.212076 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: TIME 4748.47 LOAD: AVG 0.195315 MAX 0.212076 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.391 MB LDB: ============== END OF LOAD BALANCING =============== 4748.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4748.47 PRESSURE: 1476400 129.089 -125.538 -307.332 -125.538 -73.3543 -219.129 -307.332 -219.131 -458.696 GPRESSURE: 1476400 244.716 -43.4401 -247.062 -131.554 -60.8768 -108.483 -237.971 -184.871 -489.048 PRESSAVG: 1476400 3.52769 -55.1425 -1.35668 -55.1426 49.5131 25.5433 -1.35667 25.5432 0.85406 GPRESSAVG: 1476400 3.21968 -56.353 -1.77405 -55.2596 50.2161 27.2545 0.244846 22.9901 0.674496 TIMING: 1476400 CPU: 4736.37, 0.00323289/step Wall: 4736.37, 0.00323289/step, 3.16428 hours remaining, 230.800781 MB of memory in use. ENERGY: 1476400 4016.0723 20496.2749 14439.2738 249.2871 -203672.4492 2600.8407 0.0000 0.0000 51927.7957 -109942.9047 298.4298 -161870.7004 -109580.0265 298.9046 -134.3202 -101.7362 759909.9513 17.9650 18.0368 PRESSURE: 1476600 224.844 -7.62083 11.6408 -7.6209 -407.679 25.6563 11.6417 25.656 -23.2893 GPRESSURE: 1476600 237.311 -142.542 -93.4254 -23.9682 -262.37 -81.6362 36.4162 -26.0627 -88.6693 PRESSAVG: 1476600 9.42984 -60.452 -49.4428 -60.4519 -17.4682 -23.7126 -49.4427 -23.7126 10.1026 GPRESSAVG: 1476600 9.13949 -58.454 -51.3349 -59.6847 -17.4002 -23.9237 -49.1036 -22.9208 9.59918 TIMING: 1476600 CPU: 4737, 0.0031878/step Wall: 4737, 0.0031878/step, 3.11997 hours remaining, 231.113281 MB of memory in use. ENERGY: 1476600 3982.5340 20499.7345 14435.0358 251.8288 -203331.8023 2234.0750 0.0000 0.0000 51963.8933 -109964.7009 298.6372 -161928.5942 -109600.2480 299.0403 -68.7079 -37.9094 760438.9831 0.6881 0.4462 PRESSURE: 1476800 -157.229 -8.38463 -17.0777 -8.3844 -47.6976 65.365 -17.0774 65.3643 1.78601 GPRESSURE: 1476800 -262.75 72.603 -106.943 30.3209 87.5921 69.7574 -40.4161 3.86364 50.6504 PRESSAVG: 1476800 15.2547 -42.4064 20.9796 -42.4064 -32.7214 -20.4332 20.9796 -20.4331 -23.0049 GPRESSAVG: 1476800 14.7358 -41.6603 21.4889 -44.0184 -32.7434 -21.0393 19.6896 -22.2397 -22.8755 TIMING: 1476800 CPU: 4737.64, 0.00317231/step Wall: 4737.64, 0.00317231/step, 3.10463 hours remaining, 231.113281 MB of memory in use. ENERGY: 1476800 3970.8199 20310.1807 14464.4424 250.7231 -203519.5857 2413.9233 0.0000 0.0000 52037.5383 -110071.9579 299.0604 -162109.4962 -109700.4279 298.7014 -67.7137 -41.5026 759741.2918 -13.4905 -13.6277 PRESSURE: 1477000 -299.225 -209.695 51.5112 -209.696 52.432 199.546 51.5117 199.547 235.11 GPRESSURE: 1477000 -209.199 -215.353 64.1663 -140.016 41.0951 140.974 -11.0448 98.9905 233.274 PRESSAVG: 1477000 32.2385 -72.3136 -8.98106 -72.3137 -2.25721 -6.82208 -8.98113 -6.82209 -11.7362 GPRESSAVG: 1477000 31.252 -72.9567 -9.18305 -71.9855 -2.58964 -6.07077 -6.86968 -7.56969 -10.4789 TIMING: 1477000 CPU: 4738.27, 0.0031741/step Wall: 4738.27, 0.0031741/step, 3.10621 hours remaining, 231.113281 MB of memory in use. ENERGY: 1477000 3938.4121 20567.4421 14433.0302 232.7166 -203666.8514 2529.4745 0.0000 0.0000 51717.4783 -110248.2977 297.2211 -161965.7760 -109887.3196 297.9287 -3.8946 21.7234 760428.0040 6.0817 6.0611 PRESSURE: 1477200 -293.976 1.20441 180.212 1.20408 -48.248 67.2894 180.212 67.2893 -335.321 GPRESSURE: 1477200 -256.968 9.71994 57.7167 43.2892 -61.7742 79.5613 96.2287 97.1916 -261.137 PRESSAVG: 1477200 -19.4132 -51.5625 -16.4439 -51.5624 -32.0065 -4.62485 -16.4438 -4.62494 4.89133 GPRESSAVG: 1477200 -17.6193 -52.0943 -17.3024 -52.2184 -32.8099 -4.76928 -18.8941 -2.99873 4.41972 TIMING: 1477200 CPU: 4738.9, 0.00315009/step Wall: 4738.9, 0.00315009/step, 3.08254 hours remaining, 231.113281 MB of memory in use. ENERGY: 1477200 4030.0391 20386.7231 14471.9410 251.2477 -203389.0981 2209.7965 0.0000 0.0000 51671.8704 -110367.4802 296.9589 -162039.3506 -110006.7198 297.4460 -225.8485 -193.2930 759773.9518 -15.5095 -15.3365 PRESSURE: 1477400 -46.7709 86.9574 64.488 86.9562 3.8519 71.5418 64.4884 71.5407 -313.683 GPRESSURE: 1477400 -32.7855 145.05 103.906 7.55736 -7.85377 10.3428 193.251 -32.0986 -225.342 PRESSAVG: 1477400 19.6233 -71.9884 -27.7336 -71.9884 -7.18521 -54.8248 -27.7336 -54.8247 -0.41374 GPRESSAVG: 1477400 20.1663 -70.5537 -25.6597 -70.953 -6.16759 -56.7473 -26.6015 -55.6756 -1.75971 TIMING: 1477400 CPU: 4739.53, 0.00315494/step Wall: 4739.53, 0.00315494/step, 3.08711 hours remaining, 231.113281 MB of memory in use. ENERGY: 1477400 4004.2559 20299.0919 14458.6294 253.7449 -203445.0562 2185.5267 0.0000 0.0000 51678.1844 -110565.6229 296.9952 -162243.8073 -110207.9816 297.4715 -118.8674 -88.6603 758937.9592 4.0081 4.0797 PRESSURE: 1477600 -327.867 69.5859 244.029 69.5865 156.056 236.672 244.028 236.672 -419.895 GPRESSURE: 1477600 -211.57 127.84 286.617 -18.3263 81.9164 258.713 197.429 125.214 -379.742 PRESSAVG: 1477600 -12.7403 -63.4041 -16.7775 -63.4041 10.8036 -67.8961 -16.7775 -67.896 16.1027 GPRESSAVG: 1477600 -13.38 -64.4409 -14.6048 -61.1384 10.3647 -68.3512 -21.5064 -63.9164 17.4533 TIMING: 1477600 CPU: 4740.17, 0.00317663/step Wall: 4740.17, 0.00317663/step, 3.10816 hours remaining, 231.128906 MB of memory in use. ENERGY: 1477600 4001.0963 20426.5033 14402.7696 248.1207 -203086.8987 2106.5719 0.0000 0.0000 51558.6882 -110343.1487 296.3085 -161901.8369 -109986.3407 297.4431 -197.2352 -169.7987 760697.3984 4.7220 4.8127 PRESSURE: 1477800 21.2091 -194.602 -292.286 -194.602 -226.564 170.291 -292.286 170.291 -233.905 GPRESSURE: 1477800 39.8566 -19.9908 -332.338 -115.465 -187.076 126.342 -91.461 98.8447 -197.383 PRESSAVG: 1477800 4.16534 -23.3576 -4.60908 -23.3575 -1.67655 -29.8043 -4.60907 -29.8043 16.2306 GPRESSAVG: 1477800 4.20031 -20.4355 -6.40058 -26.1102 -1.55508 -28.4494 0.879336 -31.3852 15.7376 TIMING: 1477800 CPU: 4740.8, 0.00315268/step Wall: 4740.8, 0.00315268/step, 3.08455 hours remaining, 231.199219 MB of memory in use. ENERGY: 1477800 4009.6252 20310.7052 14463.4395 256.7806 -203603.4866 2389.5815 0.0000 0.0000 51950.8133 -110222.5414 298.5620 -162173.3546 -109868.8360 297.6306 -146.4200 -114.8674 759352.9460 6.2398 6.1276 PRESSURE: 1478000 -414.611 72.2392 114.68 72.2399 -62.4373 -227.812 114.681 -227.811 -342.329 GPRESSURE: 1478000 -354.715 169.714 93.5479 121.065 -67.8631 -191.164 8.08547 -54.7744 -296.346 PRESSAVG: 1478000 39.3637 -39.3602 8.22743 -39.3602 -7.77894 -68.2334 8.22741 -68.2334 6.81743 GPRESSAVG: 1478000 40.0969 -41.4748 6.91309 -38.3913 -9.13259 -67.7385 7.95338 -67.8294 7.34461 TIMING: 1478000 CPU: 4741.43, 0.00314845/step Wall: 4741.43, 0.00314845/step, 3.08023 hours remaining, 231.199219 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: 1478000 3970.8234 20412.0614 14448.8022 276.1801 -203572.8880 2438.5478 0.0000 0.0000 51906.2169 -110120.2563 298.3057 -162026.4731 -109755.0246 297.9447 -273.1258 -239.6412 761178.4736 12.8007 12.7696 PRESSURE: 1478200 -4.88504 94.9279 -46.4255 94.9281 -201.751 -116.438 -46.4257 -116.438 93.1768 GPRESSURE: 1478200 -32.8249 65.254 -38.7482 49.4786 -21.0054 -113.736 -68.4852 -62.2197 22.3301 PRESSAVG: 1478200 -0.365976 0.786783 34.9807 0.78686 -4.67597 -6.8979 34.9807 -6.89777 7.40136 GPRESSAVG: 1478200 -1.83791 0.309755 36.385 -0.918425 -3.09399 -7.05987 33.9155 -7.77642 7.52849 TIMING: 1478200 CPU: 4742.06, 0.0031497/step Wall: 4742.06, 0.0031497/step, 3.08128 hours remaining, 231.199219 MB of memory in use. ENERGY: 1478200 3966.6846 20441.4263 14456.9936 252.2357 -203536.2176 2422.3650 0.0000 0.0000 51840.5399 -110155.9724 297.9283 -161996.5123 -109796.4447 298.0581 -37.8198 -10.5001 759571.1731 0.7865 0.8655 PRESSURE: 1478400 33.5353 -116.871 -132.23 -116.871 52.9833 38.6093 -132.23 38.6097 104.774 GPRESSURE: 1478400 47.9251 -98.6596 -125.16 -72.9024 -0.858079 -62.9272 -23.3459 -21.467 209.715 PRESSAVG: 1478400 -35.0329 -22.4809 -22.4958 -22.4808 36.1879 3.74288 -22.4959 3.74282 -1.17441 GPRESSAVG: 1478400 -34.1261 -23.2649 -23.9702 -20.7033 35.6836 2.08709 -21.9288 5.28007 -1.96934 TIMING: 1478400 CPU: 4742.69, 0.0031464/step Wall: 4742.69, 0.0031464/step, 3.07788 hours remaining, 231.199219 MB of memory in use. ENERGY: 1478400 3838.9064 20449.0541 14422.2858 249.7763 -203913.5339 2905.5636 0.0000 0.0000 51734.5404 -110313.4073 297.3191 -162047.9477 -109954.2121 297.1235 63.7643 85.5940 761844.9522 -0.0065 -0.1373 PRESSURE: 1478600 -52.8759 166.621 233.067 166.621 -80.9206 72.5607 233.068 72.5597 -86.6018 GPRESSURE: 1478600 -96.9195 117.968 238.211 164.051 3.12791 104.246 71.9355 242.575 -37.99 PRESSAVG: 1478600 -11.4863 -27.7484 -26.4585 -27.7484 0.937893 49.0344 -26.4585 49.0344 27.7923 GPRESSAVG: 1478600 -12.9021 -27.3697 -24.9528 -28.513 2.08369 51.2691 -27.1785 48.3144 28.3406 TIMING: 1478600 CPU: 4743.32, 0.00315311/step Wall: 4743.32, 0.00315311/step, 3.08427 hours remaining, 231.199219 MB of memory in use. ENERGY: 1478600 4032.5971 20471.8305 14415.6770 232.9100 -203664.5447 2690.6948 0.0000 0.0000 51871.1157 -109949.7195 298.1040 -161820.8352 -109593.9564 297.6553 -73.4661 -43.9272 761922.0743 5.7479 5.8407 PRESSURE: 1478800 154.498 119.237 51.1653 119.237 354.65 255.116 51.1645 255.116 11.9417 GPRESSURE: 1478800 166.641 24.8831 -10.2599 119.916 406.396 297.617 129.162 247.483 37.068 PRESSAVG: 1478800 11.197 -2.0435 -30.9218 -2.04344 -8.25471 36.5164 -30.9218 36.5163 -3.43229 GPRESSAVG: 1478800 12.129 -1.30608 -32.0776 -4.2281 -9.90713 36.319 -29.7225 36.9699 -3.31677 TIMING: 1478800 CPU: 4743.95, 0.00316297/step Wall: 4743.95, 0.00316297/step, 3.09374 hours remaining, 231.199219 MB of memory in use. ENERGY: 1478800 3988.2885 20459.6732 14388.9765 247.3865 -203541.2373 2817.6843 0.0000 0.0000 51858.1146 -109781.1137 298.0293 -161639.2283 -109428.0478 298.1992 173.6967 203.3683 762022.1458 -0.1633 -0.3650 PRESSURE: 1479000 -211.336 20.1091 68.989 20.1087 9.88507 -136.296 68.9888 -136.295 -37.7653 GPRESSURE: 1479000 -183.561 58.8603 19.6264 10.5807 19.0939 -70.6916 22.8889 -64.2636 10.6401 PRESSAVG: 1479000 52.9463 -25.1795 19.9693 -25.1795 -2.21483 15.7246 19.9692 15.7247 29.393 GPRESSAVG: 1479000 53.696 -27.9392 20.3754 -22.7479 -2.65667 15.7724 19.0237 15.9446 28.8835 TIMING: 1479000 CPU: 4744.58, 0.00315385/step Wall: 4744.58, 0.00315385/step, 3.08464 hours remaining, 231.199219 MB of memory in use. ENERGY: 1479000 4063.5378 20460.9517 14459.4126 243.9855 -203512.2121 2470.7949 0.0000 0.0000 51942.4425 -109871.0870 298.5139 -161813.5296 -109512.0584 298.4420 -79.7389 -51.2758 762202.7068 26.7082 26.6410 PRESSURE: 1479200 274.021 74.4386 177.009 74.4398 -149.313 -82.9207 177.008 -82.9213 -136.999 GPRESSURE: 1479200 217.422 93.2756 63.8318 132.98 22.0563 -70.166 262.393 -75.7032 -161.981 PRESSAVG: 1479200 5.74505 -31.2606 7.11768 -31.2606 -30.4413 11.6563 7.11774 11.6563 -26.2733 GPRESSAVG: 1479200 4.44417 -28.9818 7.94201 -29.2483 -29.2773 11.6332 6.92595 11.3762 -25.8718 TIMING: 1479200 CPU: 4745.21, 0.00315475/step Wall: 4745.21, 0.00315475/step, 3.08534 hours remaining, 231.253906 MB of memory in use. ENERGY: 1479200 3952.8350 20509.8539 14412.3350 248.0224 -203418.6448 2491.3458 0.0000 0.0000 51913.4763 -109890.7764 298.3475 -161804.2527 -109533.7147 298.2661 -4.0972 25.8323 760167.2137 -16.9898 -16.9016 PRESSURE: 1479400 -288.289 -69.0956 -220.431 -69.0955 135.747 -11.8694 -220.431 -11.8698 235.985 GPRESSURE: 1479400 -183.685 43.1531 -237.721 -50.3165 145.069 -26.6827 -237.92 8.43157 221.809 PRESSAVG: 1479400 -48.5335 1.99134 -15.2761 1.99133 55.7428 46.6797 -15.2761 46.6797 -8.81972 GPRESSAVG: 1479400 -47.7454 2.86804 -17.8482 2.19589 54.8864 46.1668 -12.9844 46.8803 -8.5856 TIMING: 1479400 CPU: 4745.85, 0.00315932/step Wall: 4745.85, 0.00315932/step, 3.08964 hours remaining, 231.253906 MB of memory in use. ENERGY: 1479400 4046.1349 20452.1274 14482.6308 253.1031 -203535.3722 2594.8261 0.0000 0.0000 52037.2722 -109669.2777 299.0589 -161706.5499 -109315.9530 298.7574 27.8143 61.0646 759007.1210 -0.5368 -0.4815 PRESSURE: 1479600 -194.381 48.1926 -70.5767 48.1923 -125.739 -95.4942 -70.5763 -95.4941 -331.665 GPRESSURE: 1479600 -178.138 96.0261 -146.135 31.8029 -73.1276 -93.898 -68.6977 -96.6953 -311.095 PRESSAVG: 1479600 -2.68628 15.2658 0.277726 15.2657 0.366925 35.381 0.277771 35.381 8.01961 GPRESSAVG: 1479600 -2.72166 15.3532 2.26178 13.2182 0.647251 37.3999 -0.888942 33.8018 7.33335 TIMING: 1479600 CPU: 4746.48, 0.00314797/step Wall: 4746.48, 0.00314797/step, 3.07836 hours remaining, 231.253906 MB of memory in use. ENERGY: 1479600 4083.0053 20619.8640 14409.7122 246.0350 -203167.7394 2419.0655 0.0000 0.0000 52159.5958 -109230.4614 299.7619 -161390.0572 -108864.7118 299.6065 -217.2615 -187.4538 762074.2329 1.9001 1.7530 PRESSURE: 1479800 -194.341 136.382 -50.9066 136.383 122.548 286.522 -50.9059 286.522 -534.357 GPRESSURE: 1479800 -145.608 61.0445 -108.144 61.0845 145.46 219.168 -67.0184 334.819 -525.457 PRESSAVG: 1479800 -4.06653 13.8339 -3.92819 13.8339 -19.506 3.63163 -3.92824 3.63161 13.2561 GPRESSAVG: 1479800 -4.19093 13.7054 -5.01826 12.1543 -17.8849 2.06399 -6.84642 5.43099 12.1672 TIMING: 1479800 CPU: 4747.11, 0.0031661/step Wall: 4747.11, 0.0031661/step, 3.09592 hours remaining, 231.253906 MB of memory in use. ENERGY: 1479800 4011.5000 20513.9705 14514.7921 240.8093 -203004.7337 2315.6268 0.0000 0.0000 52033.5062 -109374.5288 299.0373 -161408.0350 -109014.7672 299.5131 -202.0499 -175.2015 761992.5280 -3.4388 -3.3029 PRESSURE: 1480000 374.328 35.2167 176.247 35.2159 -99.447 -113.556 176.247 -113.555 3.62205 GPRESSURE: 1480000 356.365 128.701 116.959 -64.3676 23.807 -61.3834 194.727 -120.978 7.92958 PRESSAVG: 1480000 -28.1055 -28.1757 76.9865 -28.1757 40.2223 38.7613 76.9865 38.7613 7.05785 GPRESSAVG: 1480000 -27.5603 -28.9722 77.7167 -27.2516 39.023 39.2577 76.9544 37.6823 7.71869 TIMING: 1480000 CPU: 4747.74, 0.00317938/step Wall: 4747.74, 0.00317938/step, 3.10873 hours remaining, 231.253906 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: 1480000 3977.5298 20464.8131 14453.6254 225.6657 -203204.9153 2623.4597 0.0000 0.0000 52048.7821 -109411.0396 299.1251 -161459.8217 -109051.6909 299.1644 92.8345 129.3673 760315.9617 6.3915 6.3938 PRESSURE: 1480200 37.9986 135.573 104.164 135.572 154.211 206.538 104.163 206.539 59.605 GPRESSURE: 1480200 100.65 65.1697 103.186 124.858 104.309 348.384 -54.7323 222.216 150.52 PRESSAVG: 1480200 24.7469 14.8821 -1.29306 14.882 -28.9039 19.029 -1.29308 19.029 -23.7683 GPRESSAVG: 1480200 22.7506 15.5399 -1.83901 13.7316 -28.8721 20.2468 0.201138 17.1551 -22.6342 TIMING: 1480200 CPU: 4748.38, 0.00315811/step Wall: 4748.38, 0.00315811/step, 3.08775 hours remaining, 231.253906 MB of memory in use. ENERGY: 1480200 3946.2703 20501.8854 14510.1979 245.7014 -202986.6903 2432.9324 0.0000 0.0000 52322.0055 -109027.6974 300.6953 -161349.7028 -108666.0886 299.9481 83.9381 118.4930 762305.6760 -9.3084 -9.5852 LDB: ============= START OF LOAD BALANCING ============== 4760.8 LDB: ============== END OF LOAD BALANCING =============== 4760.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4760.8 LDB: ============= START OF LOAD BALANCING ============== 4761.11 LDB: Largest compute 7074 load 0.035284 is 18.1% of average load 0.195421 LDB: Average compute 0.004389 is 2.2% of average load 0.195421 LDB: TIME 4761.12 LOAD: AVG 0.195421 MAX 0.212412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.277 MB LDB: TIME 4761.12 LOAD: AVG 0.195421 MAX 0.212412 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.281 MB LDB: TIME 4761.12 LOAD: AVG 0.195421 MAX 0.212412 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.281 MB LDB: ============== END OF LOAD BALANCING =============== 4761.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4761.12 PRESSURE: 1480400 -263.695 167.59 11.0397 167.59 -248.426 59.6118 11.0382 59.6119 76.7015 GPRESSURE: 1480400 -208.515 149.274 -33.6293 69.3971 -178.531 99.8044 28.0367 48.7137 30.8709 PRESSAVG: 1480400 -15.6367 -13.5543 -22.6713 -13.5542 56.6974 20.7223 -22.6713 20.7224 11.5379 GPRESSAVG: 1480400 -13.4942 -13.7551 -23.4924 -11.7466 55.674 20.8053 -21.7458 22.4277 9.88082 TIMING: 1480400 CPU: 4749.02, 0.00320667/step Wall: 4749.02, 0.00320667/step, 3.13506 hours remaining, 232.082031 MB of memory in use. ENERGY: 1480400 3994.5135 20462.5787 14438.4797 258.5409 -203286.2175 2490.3314 0.0000 0.0000 52447.8372 -109193.9361 301.4184 -161641.7733 -108824.6580 299.9589 -145.1399 -118.7251 761253.8122 17.5329 17.3536 PRESSURE: 1480600 -39.4214 -240.343 -14.2735 -240.344 -20.9056 -33.5922 -14.2719 -33.5926 803.054 GPRESSURE: 1480600 -23.1014 -256.431 20.9261 -290.716 54.6456 -36.2369 69.1704 48.2465 818.369 PRESSAVG: 1480600 -10.138 -55.8555 -26.7227 -55.8556 53.3725 23.504 -26.7227 23.504 33.1836 GPRESSAVG: 1480600 -11.1334 -56.288 -23.9183 -55.1725 53.2511 22.122 -24.8136 23.3427 34.2236 TIMING: 1480600 CPU: 4749.65, 0.00315373/step Wall: 4749.65, 0.00315373/step, 3.08312 hours remaining, 232.484375 MB of memory in use. ENERGY: 1480600 4038.5035 20530.1546 14475.2182 244.0517 -203446.7578 2711.9747 0.0000 0.0000 52370.4416 -109076.4135 300.9736 -161446.8550 -108705.5316 300.5650 247.5755 283.3043 760682.6154 25.4727 25.4471 PRESSURE: 1480800 -205.558 -39.5201 -188.287 -39.5191 -277.305 -151.092 -188.286 -151.092 -54.41 GPRESSURE: 1480800 -151.39 2.16789 -165.706 -86.2975 -194.195 -68.7582 -222.564 -46.4114 -90.604 PRESSAVG: 1480800 -37.7081 -2.44225 38.5796 -2.44223 16.5953 16.2404 38.5796 16.2403 22.7468 GPRESSAVG: 1480800 -36.7642 -2.86002 36.8399 -2.86549 16.6245 16.0689 36.0641 17.1253 21.5003 TIMING: 1480800 CPU: 4750.28, 0.00315341/step Wall: 4750.28, 0.00315341/step, 3.08263 hours remaining, 232.484375 MB of memory in use. ENERGY: 1480800 4047.4646 20590.0516 14448.2066 278.4524 -203227.3694 2447.3909 0.0000 0.0000 52217.3432 -109198.4602 300.0938 -161415.8033 -108833.5471 300.4815 -179.0910 -145.3964 762403.3406 0.5447 0.4535 PRESSURE: 1481000 -457.998 115.371 5.42153 115.37 340.488 75.1954 5.42142 75.1949 103.641 GPRESSURE: 1481000 -352.269 -43.9342 -85.2734 166.628 338.07 192.863 120.788 26.2885 81.9033 PRESSAVG: 1481000 39.3654 -8.93383 -23.9952 -8.93382 -3.50488 -1.92541 -23.9952 -1.92534 -1.2959 GPRESSAVG: 1481000 39.2987 -8.27788 -24.2911 -10.4868 -3.51321 -1.89228 -24.0534 -0.868986 -1.26912 TIMING: 1481000 CPU: 4750.91, 0.00314957/step Wall: 4750.91, 0.00314957/step, 3.07871 hours remaining, 232.554688 MB of memory in use. ENERGY: 1481000 3956.6771 20720.7209 14441.7141 260.4718 -202993.8404 2351.9371 0.0000 0.0000 52003.9962 -109258.3231 298.8677 -161262.3193 -108897.4704 300.0446 -4.6231 22.5682 762540.0797 11.5215 11.5054 PRESSURE: 1481200 601.925 -171.568 -413.988 -171.568 49.9945 145.829 -413.989 145.831 -276.736 GPRESSURE: 1481200 523.394 -124.729 -333.982 -189.371 192.147 239.481 -389.332 -89.2704 -252.222 PRESSAVG: 1481200 -23.8096 -43.4512 -27.2277 -43.4513 7.5461 -5.94296 -27.2277 -5.9429 15.8323 GPRESSAVG: 1481200 -25.5774 -43.3009 -27.9785 -42.8806 8.99035 -5.15871 -24.9152 -7.06397 16.1382 TIMING: 1481200 CPU: 4751.54, 0.0031687/step Wall: 4751.54, 0.0031687/step, 3.09723 hours remaining, 232.554688 MB of memory in use. ENERGY: 1481200 3970.1656 20426.4001 14403.7090 237.7310 -203276.0584 2706.8855 0.0000 0.0000 52025.6736 -109505.4936 298.9923 -161531.1671 -109146.4954 299.6603 125.0610 154.4397 761141.3113 -0.1437 -0.1496 PRESSURE: 1481400 -59.7296 162.724 -47.85 162.726 -162.958 -284.968 -47.8495 -284.967 224.685 GPRESSURE: 1481400 34.7901 128.319 -26.1908 177.718 -177.909 -212.519 -75.589 -292.758 236.701 PRESSAVG: 1481400 -9.67244 -37.2866 -20.7156 -37.2866 -11.4246 11.3986 -20.7156 11.3985 9.10619 GPRESSAVG: 1481400 -8.87071 -37.2963 -18.0326 -35.0364 -11.9618 11.9434 -22.0835 13.3869 8.5599 TIMING: 1481400 CPU: 4752.18, 0.00316335/step Wall: 4752.18, 0.00316335/step, 3.09182 hours remaining, 232.554688 MB of memory in use. ENERGY: 1481400 3924.1300 20366.0838 14482.3641 236.3351 -203036.8473 2516.4181 0.0000 0.0000 51935.6259 -109575.8903 298.4748 -161511.5162 -109223.6317 299.3401 0.6656 31.1940 760925.9178 -3.9970 -4.0909 PRESSURE: 1481600 -119.509 -13.9006 108.041 -13.9003 -25.6378 -136.897 108.042 -136.896 -32.5719 GPRESSURE: 1481600 37.9999 -98.0538 70.0062 -174.254 -76.5872 -170.038 235.531 -182.823 -56.5965 PRESSAVG: 1481600 -56.6043 -28.0345 -60.6115 -28.0344 17.7985 19.2222 -60.6115 19.2223 -0.299424 GPRESSAVG: 1481600 -55.6043 -29.7125 -62.2985 -28.59 16.3531 16.6509 -57.3305 19.9355 0.0416755 TIMING: 1481600 CPU: 4752.8, 0.00313924/step Wall: 4752.8, 0.00313924/step, 3.06808 hours remaining, 232.554688 MB of memory in use. ENERGY: 1481600 3979.6201 20590.2590 14421.6596 259.9505 -203249.5791 2583.2788 0.0000 0.0000 51981.7415 -109433.0696 298.7398 -161414.8111 -109077.5862 299.3171 -59.2397 -31.7279 761364.2840 -13.0351 -13.0698 PRESSURE: 1481800 -91.2308 81.0891 97.2646 81.0897 -16.4231 71.2462 97.2657 71.246 -21.2511 GPRESSURE: 1481800 -14.005 95.0864 176.124 73.1062 -95.8029 165.483 20.4765 -18.7271 48.9108 PRESSAVG: 1481800 -0.771753 16.8167 25.3584 16.8167 26.7568 -19.5223 25.3585 -19.5223 4.95872 GPRESSAVG: 1481800 -2.27944 19.4593 24.9169 15.8412 27.8009 -17.4909 24.7599 -22.537 5.3309 TIMING: 1481800 CPU: 4753.43, 0.00316/step Wall: 4753.43, 0.00316/step, 3.08819 hours remaining, 232.554688 MB of memory in use. ENERGY: 1481800 3946.4999 20375.6414 14438.3718 234.9398 -202933.5910 2333.0522 0.0000 0.0000 52154.7360 -109450.3500 299.7340 -161605.0859 -109091.0450 299.0908 -42.9683 -20.2990 760938.1600 10.3146 10.2841 PRESSURE: 1482000 -281.75 -283.173 -107.485 -283.172 -584.292 -238.312 -107.485 -238.312 -189.748 GPRESSURE: 1482000 -265.737 -237.449 -141.247 -223.265 -447.232 -279.476 -90.9904 -244.522 -237.478 PRESSAVG: 1482000 -10.2801 -16.5876 15.8645 -16.5876 34.4894 -5.13498 15.8644 -5.13489 -0.564155 GPRESSAVG: 1482000 -9.81125 -17.3612 15.4984 -16.5564 34.5139 -5.99098 15.0902 -5.82147 -0.952323 TIMING: 1482000 CPU: 4754.07, 0.00317424/step Wall: 4754.07, 0.00317424/step, 3.10194 hours remaining, 232.554688 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: 1482000 4070.5846 20446.8773 14451.3950 242.6589 -202415.8220 1915.4625 0.0000 0.0000 51783.8776 -109504.9661 297.6027 -161288.8437 -109149.5300 299.2841 -351.9296 -316.8159 762149.8538 7.8817 7.9168 PRESSURE: 1482200 381.302 -126.681 228.037 -126.681 267.643 -55.8727 228.037 -55.8735 364.649 GPRESSURE: 1482200 435.905 -79.1377 314.174 -111.319 242.622 -137.99 293.702 -69.1943 423.442 PRESSAVG: 1482200 -44.6297 6.93789 -15.1245 6.93791 -9.28597 -9.35794 -15.1245 -9.358 -4.72397 GPRESSAVG: 1482200 -44.486 6.95614 -15.0758 4.48747 -10.4963 -10.8638 -14.9686 -7.81033 -3.84001 TIMING: 1482200 CPU: 4754.7, 0.00317162/step Wall: 4754.7, 0.00317162/step, 3.09921 hours remaining, 232.554688 MB of memory in use. ENERGY: 1482200 3964.8466 20385.3486 14512.0278 253.6785 -203063.8714 2723.2354 0.0000 0.0000 52169.6152 -109055.1193 299.8195 -161224.7345 -108684.9250 299.3330 337.8646 367.3232 762245.3084 -19.5465 -19.6074 PRESSURE: 1482400 -4.24429 -150.935 -140.914 -150.935 -242.941 51.3353 -140.915 51.3352 389.838 GPRESSURE: 1482400 11.3709 -165.514 -100.651 -65.2772 -169.868 86.9995 -144.268 297.046 371.292 PRESSAVG: 1482400 -28.1248 -72.2163 -11.6044 -72.2163 71.8261 -13.2077 -11.6044 -13.2077 15.9821 GPRESSAVG: 1482400 -28.077 -71.6365 -10.5197 -69.859 72.2584 -11.3107 -12.0882 -13.1639 15.6928 TIMING: 1482400 CPU: 4755.34, 0.00317792/step Wall: 4755.34, 0.00317792/step, 3.10518 hours remaining, 232.554688 MB of memory in use. ENERGY: 1482400 3962.4015 20445.8388 14492.0657 255.5279 -203279.7899 2450.2479 0.0000 0.0000 52610.4022 -109063.3059 302.3527 -161673.7081 -108696.8604 300.3945 47.5508 70.9318 761511.5929 19.8944 19.9581 PRESSURE: 1482600 49.3013 242.321 -22.8452 242.32 71.8613 181.385 -22.8453 181.386 28.0506 GPRESSURE: 1482600 50.1423 256.072 -10.2961 135.536 59.574 145.667 -31.0945 93.5027 117.246 PRESSAVG: 1482600 15.563 -37.6574 -46.1157 -37.6574 -8.7293 -38.1114 -46.1157 -38.1115 -0.167141 GPRESSAVG: 1482600 14.5658 -38.7301 -46.3447 -37.5182 -6.97335 -37.4426 -47.1536 -39.5396 -0.815561 TIMING: 1482600 CPU: 4755.97, 0.00315667/step Wall: 4755.97, 0.00315667/step, 3.08424 hours remaining, 232.554688 MB of memory in use. ENERGY: 1482600 3986.7005 20303.9417 14503.4162 243.6884 -203143.0226 2626.6170 0.0000 0.0000 52241.3854 -109237.2733 300.2320 -161478.6587 -108879.9810 299.9352 49.7378 75.6540 762224.0778 2.2222 2.2590 PRESSURE: 1482800 45.0101 150.275 -46.5792 150.277 -9.32696 -186.399 -46.5791 -186.398 173.562 GPRESSURE: 1482800 98.5108 44.7473 19.4966 170.515 57.4147 -172.572 -10.0685 -212.002 130.998 PRESSAVG: 1482800 -14.9001 -30.8902 -43.3133 -30.8901 -35.6469 -33.7487 -43.3133 -33.7487 16.4296 GPRESSAVG: 1482800 -15.5138 -30.82 -41.7528 -33.3622 -36.3071 -35.029 -44.0291 -31.2623 17.2789 TIMING: 1482800 CPU: 4756.6, 0.00316289/step Wall: 4756.6, 0.00316289/step, 3.09014 hours remaining, 232.554688 MB of memory in use. ENERGY: 1482800 3962.3421 20287.2006 14433.8879 253.0631 -203170.7082 2787.1624 0.0000 0.0000 52185.5657 -109261.4864 299.9112 -161447.0521 -108899.3882 300.4437 69.7484 95.6412 763453.8912 -11.3724 -11.5140 PRESSURE: 1483000 -84.1152 -107.336 -214.85 -107.337 139.757 -143.832 -214.85 -143.832 -217.302 GPRESSURE: 1483000 2.63074 -129.976 -244.744 -138.708 63.9005 -170.114 -254.389 -137.147 -126.14 PRESSAVG: 1483000 17.4589 -14.4832 -22.4494 -14.4831 -26.4597 -11.9975 -22.4494 -11.9975 -5.74521 GPRESSAVG: 1483000 18.3312 -13.8994 -24.1798 -12.7085 -27.7624 -11.4999 -22.1691 -14.737 -5.4745 TIMING: 1483000 CPU: 4757.23, 0.00315441/step Wall: 4757.23, 0.00315441/step, 3.08168 hours remaining, 232.554688 MB of memory in use. ENERGY: 1483000 3976.0313 20380.4460 14479.1997 256.6416 -202682.1681 2152.3634 0.0000 0.0000 52110.2355 -109327.2507 299.4782 -161437.4862 -108960.5655 299.9216 -53.8867 -19.8695 761062.9176 -4.9153 -4.9686 PRESSURE: 1483200 35.133 24.9852 199.7 24.9849 366.909 -29.5446 199.7 -29.5448 -489.274 GPRESSURE: 1483200 98.2819 113.842 181.895 71.9212 356.885 -2.68091 82.053 -23.6479 -440.507 PRESSAVG: 1483200 30.1086 -5.29191 -7.48873 -5.29189 -60.1911 -15.0217 -7.48875 -15.0218 -3.25656 GPRESSAVG: 1483200 30.2208 -5.09179 -7.16931 -6.2714 -59.1407 -15.5779 -6.59692 -15.7576 -4.13248 TIMING: 1483200 CPU: 4757.87, 0.0031739/step Wall: 4757.87, 0.0031739/step, 3.10055 hours remaining, 232.554688 MB of memory in use. ENERGY: 1483200 3953.2145 20522.8781 14456.7255 244.9678 -203004.1811 2413.9511 0.0000 0.0000 52088.2574 -109324.1867 299.3519 -161412.4442 -108965.6407 299.6162 -29.0775 4.8865 761398.7685 -11.1130 -11.0174 PRESSURE: 1483400 32.3953 70.9716 313.463 70.9715 161.676 291.939 313.463 291.939 101.111 GPRESSURE: 1483400 78.4147 45.7794 233.609 150.351 145.026 421.28 243.691 239.223 137.127 PRESSAVG: 1483400 48.2961 -27.2749 70.8891 -27.2749 -30.7824 -6.22738 70.8892 -6.22743 -10.5488 GPRESSAVG: 1483400 47.6844 -28.041 70.3714 -25.2309 -30.0647 -6.44555 69.9788 -4.57422 -10.7383 TIMING: 1483400 CPU: 4758.5, 0.00316456/step Wall: 4758.5, 0.00316456/step, 3.09124 hours remaining, 232.554688 MB of memory in use. ENERGY: 1483400 3976.2482 20559.0681 14415.8649 259.8178 -203248.1233 2564.3228 0.0000 0.0000 52166.4982 -109306.3033 299.8016 -161472.8015 -108945.3403 299.9088 98.3941 120.1893 760382.8795 2.3216 2.2938 PRESSURE: 1483600 330.787 -41.286 -4.66723 -41.2857 245.77 -203.565 -4.66731 -203.565 -121.909 GPRESSURE: 1483600 386.652 -68.0544 19.4741 -60.5823 253.547 -156.644 -91.6403 -234.439 -73.2314 PRESSAVG: 1483600 61.4833 -1.32554 -2.82136 -1.32557 -54.924 10.3129 -2.82142 10.3129 -14.3617 GPRESSAVG: 1483600 60.25 0.113292 -2.36365 -3.03985 -55.3547 9.39875 -5.24803 9.61274 -12.4649 TIMING: 1483600 CPU: 4759.14, 0.00318602/step Wall: 4759.14, 0.00318602/step, 3.11203 hours remaining, 232.554688 MB of memory in use. ENERGY: 1483600 4027.9145 20261.2727 14391.8127 247.3260 -203392.2976 2711.2371 0.0000 0.0000 52426.2915 -109326.4431 301.2946 -161752.7346 -108959.9921 299.7140 151.5492 188.9891 759871.4773 -2.6008 -2.5232 PRESSURE: 1483800 -560.187 -7.74727 -27.3017 -7.74722 -240.989 -28.5143 -27.3019 -28.5145 -338.104 GPRESSURE: 1483800 -491.129 -120.54 -14.0475 -35.3433 -194.409 21.6718 -41.6224 -97.1958 -360.014 PRESSAVG: 1483800 29.1737 -47.0581 35.1037 -47.058 -19.3931 -8.24336 35.1038 -8.24337 24.7926 GPRESSAVG: 1483800 30.3619 -46.2725 34.6778 -47.0363 -19.9517 -8.18014 37.2806 -6.79656 23.6003 TIMING: 1483800 CPU: 4759.77, 0.00315304/step Wall: 4759.77, 0.00315304/step, 3.07965 hours remaining, 232.554688 MB of memory in use. ENERGY: 1483800 4031.1718 20405.4630 14426.7887 245.5635 -202915.8185 2235.1169 0.0000 0.0000 52364.4222 -109207.2923 300.9391 -161571.7145 -108842.4801 300.1378 -379.7603 -348.5175 762241.8753 11.5244 11.3368 PRESSURE: 1484000 88.0245 163.612 -99.6148 163.612 -183.666 -199.773 -99.6141 -199.773 -356.651 GPRESSURE: 1484000 131.464 204.528 -108.873 214.341 -67.3852 -183.093 30.1395 -56.6464 -409.97 PRESSAVG: 1484000 15.6086 -54.8 -24.0876 -54.8001 -9.30699 -9.40489 -24.0876 -9.40495 -3.74048 GPRESSAVG: 1484000 16.572 -53.8086 -23.3908 -53.4447 -9.21209 -8.84595 -22.6466 -10.1952 -4.98553 TIMING: 1484000 CPU: 4760.4, 0.00313154/step Wall: 4760.4, 0.00313154/step, 3.05847 hours remaining, 232.554688 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: 1484000 3954.2885 20396.1406 14401.4389 255.2277 -202953.5475 2384.7272 0.0000 0.0000 52267.6777 -109294.0469 300.3831 -161561.7246 -108925.9642 299.7313 -150.7643 -115.2971 762282.2623 0.8537 0.7915 PRESSURE: 1484200 -340.728 289.425 3.4191 289.426 -73.7732 -79.741 3.41865 -79.7406 118.925 GPRESSURE: 1484200 -227.991 197.746 34.7896 328.672 -106.461 -71.8641 81.5488 -169.276 144.48 PRESSAVG: 1484200 45.3019 20.0795 -16.4445 20.0795 -63.1688 -20.7007 -16.4445 -20.7006 -14.9581 GPRESSAVG: 1484200 42.9518 16.6138 -17.0376 20.3777 -62.294 -20.7779 -18.1665 -21.8226 -13.5823 TIMING: 1484200 CPU: 4761.03, 0.00315826/step Wall: 4761.03, 0.00315826/step, 3.0844 hours remaining, 232.554688 MB of memory in use. ENERGY: 1484200 3943.5543 20621.7140 14457.7555 255.3604 -203264.4600 2366.1986 0.0000 0.0000 52545.7677 -109074.1095 301.9812 -161619.8772 -108709.7066 300.1482 -98.5254 -63.3242 761140.3566 -10.9417 -10.9748 LDB: ============= START OF LOAD BALANCING ============== 4773.45 LDB: ============== END OF LOAD BALANCING =============== 4773.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4773.45 LDB: ============= START OF LOAD BALANCING ============== 4773.77 LDB: Largest compute 7074 load 0.038309 is 19.6% of average load 0.195384 LDB: Average compute 0.004404 is 2.3% of average load 0.195384 LDB: TIME 4773.78 LOAD: AVG 0.195384 MAX 0.212293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.773 MB LDB: TIME 4773.78 LOAD: AVG 0.195384 MAX 0.212293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: TIME 4773.78 LOAD: AVG 0.195384 MAX 0.212293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.773 MB LDB: ============== END OF LOAD BALANCING =============== 4773.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4773.78 PRESSURE: 1484400 -29.6286 -210.42 -55.776 -210.42 -641.339 -145.343 -55.7766 -145.343 -309.723 GPRESSURE: 1484400 -94.4826 -237.853 -101.549 -207.354 -544.412 -150.712 -109.923 -197.324 -251.423 PRESSAVG: 1484400 0.908161 -32.8776 -67.6214 -32.8776 2.55919 -20.2069 -67.6214 -20.207 -8.69299 GPRESSAVG: 1484400 2.37295 -31.2054 -66.5555 -33.8992 1.08001 -19.8612 -67.7717 -19.4895 -8.65982 TIMING: 1484400 CPU: 4761.68, 0.00324185/step Wall: 4761.68, 0.00324185/step, 3.16585 hours remaining, 230.800781 MB of memory in use. ENERGY: 1484400 4055.5385 20476.2024 14422.9753 249.5333 -203210.4476 2256.8841 0.0000 0.0000 52395.5866 -109353.7272 301.1182 -161749.3138 -108985.5870 300.2141 -326.8969 -296.7724 762712.4505 -1.7419 -1.7356 PRESSURE: 1484600 -235.219 30.4024 -43.4486 30.402 -75.9101 -248.523 -43.4489 -248.523 156.686 GPRESSURE: 1484600 -271.13 130.718 -29.968 -64.6272 25.5357 -157.616 -17.0994 -225.111 201.127 PRESSAVG: 1484600 36.1849 -142.217 18.9021 -142.217 -58.9781 -12.0852 18.9021 -12.0853 -14.9969 GPRESSAVG: 1484600 35.5485 -143.38 18.6686 -140.439 -58.107 -14.4705 19.2519 -10.6064 -14.9212 TIMING: 1484600 CPU: 4762.31, 0.00314744/step Wall: 4762.31, 0.00314744/step, 3.07348 hours remaining, 230.800781 MB of memory in use. ENERGY: 1484600 3918.8904 20664.4976 14472.4918 250.5749 -203398.7392 2520.3986 0.0000 0.0000 52095.7995 -109476.0864 299.3953 -161571.8859 -109109.3566 299.3566 -51.4808 -14.8224 759632.9055 -12.5967 -12.4932 PRESSURE: 1484800 -235.548 -94.3041 -101.818 -94.3035 111.342 14.8213 -101.819 14.8214 397.504 GPRESSURE: 1484800 -174.387 67.083 -100.333 -19.182 126.442 -31.837 -161.972 -40.192 418.477 PRESSAVG: 1484800 -26.8506 -84.9088 55.7598 -84.9088 78.6244 48.3295 55.7599 48.3296 32.8164 GPRESSAVG: 1484800 -26.482 -83.8921 56.4541 -86.4299 78.8084 49.4577 56.2595 48.3314 31.9867 TIMING: 1484800 CPU: 4762.94, 0.00315827/step Wall: 4762.94, 0.00315827/step, 3.08388 hours remaining, 230.800781 MB of memory in use. ENERGY: 1484800 3893.2568 20435.8654 14438.8103 239.2168 -203272.8817 2503.7625 0.0000 0.0000 52111.1047 -109650.8653 299.4832 -161761.9699 -109286.7157 299.3732 91.0993 123.5105 759834.1220 28.1967 28.1043 PRESSURE: 1485000 190.576 -251.57 35.5262 -251.57 108.789 -10.8862 35.5263 -10.8866 -94.0245 GPRESSURE: 1485000 195.578 -119.794 -20.7719 -356.482 159.52 109.715 48.6786 77.2545 -54.6055 PRESSAVG: 1485000 -27.8407 -13.2664 15.4481 -13.2664 22.2055 -68.1521 15.4482 -68.1521 -9.02699 GPRESSAVG: 1485000 -28.0117 -11.9681 14.1023 -12.0487 21.4245 -67.1876 16.6215 -72.1526 -7.8287 TIMING: 1485000 CPU: 4763.57, 0.00314032/step Wall: 4763.57, 0.00314032/step, 3.06617 hours remaining, 230.800781 MB of memory in use. ENERGY: 1485000 3886.2212 20424.6236 14450.0711 252.0873 -203258.4463 2356.8059 0.0000 0.0000 52102.4424 -109786.1950 299.4335 -161888.6373 -109426.0953 298.8187 68.4468 100.1640 759669.8235 -4.8874 -4.8053 PRESSURE: 1485200 21.9634 -66.5889 173.252 -66.5883 241.124 -80.4735 173.252 -80.4721 -238.096 GPRESSURE: 1485200 92.0242 -145.427 127.607 -13.8187 185.701 -131.999 139.158 -31.9597 -167.204 PRESSAVG: 1485200 17.5358 -14.5572 -55.9238 -14.5571 0.361279 24.5886 -55.9237 24.5885 8.61155 GPRESSAVG: 1485200 18.1698 -17.8364 -56.5253 -13.8816 0.462512 25.028 -57.4441 26.9922 8.01467 TIMING: 1485200 CPU: 4764.19, 0.00314502/step Wall: 4764.19, 0.00314502/step, 3.07059 hours remaining, 231.003906 MB of memory in use. ENERGY: 1485200 3988.9347 20628.5997 14416.2519 256.5429 -203533.3300 2594.2659 0.0000 0.0000 51931.0151 -109717.7197 298.4483 -161648.7348 -109359.9291 299.0541 8.3304 36.8406 760470.4008 8.8362 8.8823 PRESSURE: 1485400 109.302 -70.1748 62.4538 -70.1742 46.6869 25.6754 62.4529 25.6765 168.369 GPRESSURE: 1485400 187.922 -12.297 -8.55738 24.2995 38.0742 -84.6279 168.033 139.921 187.194 PRESSAVG: 1485400 28.4951 -34.0434 16.6916 -34.0434 -19.8409 -13.6414 16.6916 -13.6414 -10.3059 GPRESSAVG: 1485400 27.8718 -32.3968 18.9383 -38.023 -19.0911 -14.4901 16.4283 -13.9911 -10.3659 TIMING: 1485400 CPU: 4764.82, 0.00313532/step Wall: 4764.82, 0.00313532/step, 3.06095 hours remaining, 231.003906 MB of memory in use. ENERGY: 1485400 3965.8741 20546.3318 14397.5451 255.8726 -203535.5265 2458.2669 0.0000 0.0000 52118.7959 -109792.8400 299.5274 -161911.6359 -109432.2854 298.6718 108.1194 137.7302 758313.0205 -0.5506 -0.5284 PRESSURE: 1485600 -57.4271 -29.3798 -191.285 -29.3791 200.852 -115.172 -191.285 -115.173 -333.688 GPRESSURE: 1485600 -22.5522 -64.2637 -25.3699 -146.768 164.888 -79.4947 -72.1279 -74.5445 -235.815 PRESSAVG: 1485600 -6.41502 -26.5484 -0.0361565 -26.5484 62.6735 -11.9264 -0.0361611 -11.9264 39.3059 GPRESSAVG: 1485600 -5.82114 -25.3425 -0.520429 -24.798 62.473 -13.337 0.925122 -11.2332 39.1392 TIMING: 1485600 CPU: 4765.45, 0.00314889/step Wall: 4765.45, 0.00314889/step, 3.07401 hours remaining, 231.003906 MB of memory in use. ENERGY: 1485600 3959.5382 20487.2553 14465.7821 249.8162 -203488.4091 2411.0161 0.0000 0.0000 51934.2499 -109980.7514 298.4668 -161915.0012 -109621.1879 298.8909 -63.4212 -31.1597 759556.6843 31.8548 31.9304 PRESSURE: 1485800 -122.695 -95.0685 -76.9069 -95.0688 -17.8825 -84.7759 -76.907 -84.7755 -48.6027 GPRESSURE: 1485800 -79.4606 -38.5128 -130.065 -46.4199 71.9698 -224.08 -90.0014 -104.887 -82.8842 PRESSAVG: 1485800 29.2487 -21.4166 -6.26777 -21.4166 -33.7662 -17.5347 -6.26774 -17.5346 1.18567 GPRESSAVG: 1485800 28.7114 -24.407 -6.72048 -21.2776 -33.8877 -18.4449 -4.88149 -16.9578 1.43261 TIMING: 1485800 CPU: 4766.08, 0.00315221/step Wall: 4766.08, 0.00315221/step, 3.07708 hours remaining, 231.003906 MB of memory in use. ENERGY: 1485800 3975.3503 20289.2283 14432.9841 249.6237 -203977.0799 2761.3441 0.0000 0.0000 52119.8640 -110148.6853 299.5336 -162268.5494 -109789.9685 298.2652 -63.0600 -30.1250 759603.5586 -1.1106 -1.2479 PRESSURE: 1486000 8.12965 69.1258 245.994 69.1254 -132.202 -44.0996 245.994 -44.1004 -10.8824 GPRESSURE: 1486000 -12.8963 123.408 290.21 33.7124 -102.72 0.18533 102.248 -52.6438 46.6623 PRESSAVG: 1486000 31.2272 -35.956 5.73999 -35.956 -55.6251 -62.5554 5.74006 -62.5553 4.34036 GPRESSAVG: 1486000 31.1581 -34.6434 8.10287 -36.238 -54.6679 -60.2509 4.43135 -63.4508 3.25271 TIMING: 1486000 CPU: 4766.71, 0.00316367/step Wall: 4766.71, 0.00316367/step, 3.08809 hours remaining, 231.003906 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: 1486000 3971.9165 20437.2996 14436.4558 260.4729 -203622.0532 2425.5970 0.0000 0.0000 51852.3006 -110238.0109 297.9959 -162090.3115 -109881.4413 297.9496 -44.9849 -22.9846 759670.2316 -6.6859 -6.7524 PRESSURE: 1486200 261.913 160.386 31.1809 160.385 86.6687 142.991 31.1812 142.991 -182.349 GPRESSURE: 1486200 296.555 139.151 58.6224 44.5321 181.412 174.75 1.11163 114.539 -207.798 PRESSAVG: 1486200 22.3114 28.6431 9.19694 28.6431 -10.9947 38.6271 9.19693 38.6271 13.1248 GPRESSAVG: 1486200 21.8762 28.9466 9.46933 29.6847 -10.9778 37.2255 7.57409 37.4932 14.0342 TIMING: 1486200 CPU: 4767.35, 0.00317176/step Wall: 4767.35, 0.00317176/step, 3.09581 hours remaining, 231.003906 MB of memory in use. ENERGY: 1486200 3981.9212 20364.5278 14459.8683 250.8027 -204091.9609 2739.9866 0.0000 0.0000 52139.7829 -110155.0713 299.6480 -162294.8542 -109798.9123 298.1290 55.4111 90.0566 758282.8189 8.1471 8.3109 PRESSURE: 1486400 -266.433 -128.922 6.27595 -128.922 -369.181 281.663 6.27644 281.663 -479.813 GPRESSURE: 1486400 -229.557 -102.029 -13.6297 -166.857 -401.061 278.1 -54.9949 264.773 -393.723 PRESSAVG: 1486400 5.48977 -24.7306 3.7576 -24.7306 6.56275 43.4696 3.75764 43.4697 8.72329 GPRESSAVG: 1486400 6.11622 -25.3658 2.16478 -25.1663 5.94738 45.6987 4.7781 43.4429 9.07666 TIMING: 1486400 CPU: 4767.98, 0.00316853/step Wall: 4767.98, 0.00316853/step, 3.09249 hours remaining, 231.003906 MB of memory in use. ENERGY: 1486400 4036.3954 20556.7290 14526.3442 271.3207 -203933.2045 2608.5229 0.0000 0.0000 51938.3858 -109995.5066 298.4906 -161933.8924 -109625.6383 298.5805 -371.8090 -341.4470 760375.3161 6.9253 7.0468 PRESSURE: 1486600 64.5637 -162.153 -200.603 -162.154 -89.9467 -23.6602 -200.603 -23.6601 48.6812 GPRESSURE: 1486600 66.9972 11.2172 -226.575 -106.627 -37.862 -89.9766 -173.553 92.0545 99.0471 PRESSAVG: 1486600 12.6647 -63.5661 -19.1423 -63.5661 6.97964 36.3188 -19.1423 36.3188 3.41973 GPRESSAVG: 1486600 13.1997 -61.3039 -19.0394 -63.0593 7.10791 34.2317 -19.5857 36.7291 2.43245 TIMING: 1486600 CPU: 4768.62, 0.00317315/step Wall: 4768.62, 0.00317315/step, 3.09682 hours remaining, 231.003906 MB of memory in use. ENERGY: 1486600 3975.8266 20505.5745 14520.9081 234.3241 -203760.8149 2654.9623 0.0000 0.0000 52010.4321 -109858.7872 298.9047 -161869.2193 -109488.0568 298.9281 7.7661 42.7274 759343.6272 7.6880 7.5800 PRESSURE: 1486800 217.771 46.6508 -46.9324 46.6515 -169.719 163.267 -46.9334 163.268 -86.9278 GPRESSURE: 1486800 243.001 95.4207 -22.9237 -1.81717 -132.806 100.414 85.2554 140.368 -72.3364 PRESSAVG: 1486800 -28.3236 -63.6339 28.6745 -63.634 -13.5438 -40.8218 28.6745 -40.8218 -6.05411 GPRESSAVG: 1486800 -27.9942 -65.1432 29.4004 -63.8458 -15.1307 -38.4994 29.5121 -41.145 -5.79732 TIMING: 1486800 CPU: 4769.25, 0.00317277/step Wall: 4769.25, 0.00317277/step, 3.09627 hours remaining, 231.003906 MB of memory in use. ENERGY: 1486800 3935.7664 20586.2345 14460.8922 218.4561 -203623.8701 2505.4906 0.0000 0.0000 52104.2683 -109812.7619 299.4439 -161917.0302 -109453.3911 298.9153 -12.9584 12.6196 760112.2600 -15.9739 -16.3074 PRESSURE: 1487000 155.423 -307.604 103.356 -307.604 -72.2147 -126.414 103.355 -126.414 73.1898 GPRESSURE: 1487000 103.419 -393.081 120.768 -319.975 18.1217 -72.6987 152.959 -158.38 131.348 PRESSAVG: 1487000 13.7794 -32.9093 8.03563 -32.9094 8.23462 50.4027 8.03567 50.4027 5.19473 GPRESSAVG: 1487000 12.5246 -31.9534 6.49395 -33.194 9.98869 48.5352 8.58454 52.9472 4.599 TIMING: 1487000 CPU: 4769.89, 0.0031718/step Wall: 4769.89, 0.0031718/step, 3.09515 hours remaining, 231.003906 MB of memory in use. ENERGY: 1487000 3930.9265 20452.9204 14417.4264 241.2217 -203817.0867 2731.1757 0.0000 0.0000 52047.4738 -109995.9421 299.1175 -162043.4160 -109633.2812 298.9092 52.1325 84.2962 760280.8783 9.0696 9.0374 PRESSURE: 1487200 214.5 -320.231 -102.275 -320.232 87.6074 208.785 -102.274 208.784 -101.26 GPRESSURE: 1487200 226.538 -205.728 -64.2825 -252.099 164.445 267.754 -52.6645 233.847 -94.0542 PRESSAVG: 1487200 18.7899 -68.3622 26.9738 -68.3622 -32.2977 -8.16984 26.9737 -8.16991 -11.9846 GPRESSAVG: 1487200 19.3108 -67.7567 27.8898 -69.701 -33.0848 -8.6667 25.4515 -9.62018 -11.5343 TIMING: 1487200 CPU: 4770.52, 0.00314628/step Wall: 4770.52, 0.00314628/step, 3.07007 hours remaining, 231.003906 MB of memory in use. ENERGY: 1487200 4010.1396 20399.9935 14467.8493 230.6500 -203372.1196 2536.7267 0.0000 0.0000 51852.8608 -109873.8997 297.9991 -161726.7605 -109504.8713 298.7752 66.9491 98.9762 759777.6589 -8.4974 -8.4361 PRESSURE: 1487400 -333.543 -83.0528 -456.776 -83.0541 -82.6229 -385.377 -456.776 -385.376 7.17115 GPRESSURE: 1487400 -294.344 -113.097 -365.887 -23.6774 -33.19 -244.886 -271.953 -222.332 21.3016 PRESSAVG: 1487400 19.9837 -24.264 -1.49409 -24.2641 -38.3564 14.3912 -1.4941 14.3913 8.48023 GPRESSAVG: 1487400 20.0623 -25.1524 -1.06058 -24.4492 -38.8879 16.1627 1.16686 13.0131 8.68695 TIMING: 1487400 CPU: 4771.15, 0.00315907/step Wall: 4771.15, 0.00315907/step, 3.08237 hours remaining, 231.003906 MB of memory in use. ENERGY: 1487400 4003.2776 20546.7272 14483.4715 230.2851 -203148.9911 2077.8943 0.0000 0.0000 51933.4961 -109873.8394 298.4625 -161807.3354 -109499.5666 298.5371 -136.3315 -102.0774 759370.0720 -3.2975 -3.3796 PRESSURE: 1487600 -438.574 158.708 79.0721 158.707 290.443 120.858 79.0727 120.858 354.825 GPRESSURE: 1487600 -273.914 68.8118 76.8475 118.23 280.108 156.351 206.207 90.723 311.49 PRESSAVG: 1487600 -38.2426 -21.9478 1.44913 -21.9478 30.9687 -20.3987 1.44913 -20.3987 -13.2503 GPRESSAVG: 1487600 -39.5854 -22.9021 3.10111 -20.5122 32.031 -20.613 -0.504624 -20.5521 -13.3964 TIMING: 1487600 CPU: 4771.78, 0.00315641/step Wall: 4771.78, 0.00315641/step, 3.0796 hours remaining, 231.003906 MB of memory in use. ENERGY: 1487600 3927.0108 20444.4571 14483.4112 250.6744 -203572.7039 2536.9779 0.0000 0.0000 51928.2667 -110001.9058 298.4325 -161930.1724 -109642.9390 298.7646 68.8981 105.8947 759024.5655 -6.8414 -6.9836 PRESSURE: 1487800 -40.4012 -8.46476 120.008 -8.46543 -9.23823 -33.3526 120.009 -33.3524 -192.118 GPRESSURE: 1487800 -24.0768 -19.461 163.259 46.0135 31.3535 -4.50703 88.7537 1.46257 -143.072 PRESSAVG: 1487800 -43.3519 -39.3079 22.7018 -39.3079 67.4856 49.9337 22.7018 49.9336 -3.85654 GPRESSAVG: 1487800 -43.6443 -39.026 19.6504 -38.7097 67.9756 47.7327 23.622 51.9129 -3.52628 TIMING: 1487800 CPU: 4772.41, 0.00317689/step Wall: 4772.41, 0.00317689/step, 3.09941 hours remaining, 231.003906 MB of memory in use. ENERGY: 1487800 3982.2077 20396.1703 14535.2511 248.0077 -203766.3880 2631.7080 0.0000 0.0000 52132.8429 -109840.2003 299.6082 -161973.0433 -109477.8901 298.8801 -80.5857 -45.2649 760241.1773 6.7590 6.9350 PRESSURE: 1488000 -363.571 -106.581 366.228 -106.582 73.8285 65.3002 366.228 65.3002 -84.4399 GPRESSURE: 1488000 -179.202 -38.237 435.232 31.2411 7.51226 69.764 315.327 -76.0223 -108.422 PRESSAVG: 1488000 2.81886 -74.5407 19.6986 -74.5407 22.1951 15.7306 19.6986 15.7306 12.2618 GPRESSAVG: 1488000 4.13853 -73.3203 20.464 -76.0155 21.0473 17.9981 19.2233 13.4193 12.163 TIMING: 1488000 CPU: 4773.04, 0.00315176/step Wall: 4773.04, 0.00315176/step, 3.07472 hours remaining, 231.003906 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: 1488000 4020.9114 20589.4295 14438.1266 242.8553 -203319.8999 2240.0527 0.0000 0.0000 52053.0033 -109735.5210 299.1493 -161788.5243 -109368.9294 299.2181 -124.7273 -93.3707 758618.0110 12.4252 12.4496 PRESSURE: 1488200 356.611 -111.199 30.8495 -111.2 272.465 -25.1678 30.8502 -25.1687 -132.654 GPRESSURE: 1488200 281.771 -60.1168 -56.028 -33.6166 346.761 39.5496 43.6732 -15.0263 -58.3231 PRESSAVG: 1488200 7.30491 -19.1065 0.539973 -19.1065 5.17002 73.4234 0.539992 73.4234 -2.39654 GPRESSAVG: 1488200 7.43723 -20.3078 1.11366 -17.0524 3.97609 70.8058 -1.00886 76.1088 -1.93465 TIMING: 1488200 CPU: 4773.68, 0.00316283/step Wall: 4773.68, 0.00316283/step, 3.08535 hours remaining, 231.003906 MB of memory in use. ENERGY: 1488200 3964.6321 20410.1496 14502.1938 254.6376 -203787.0968 2699.0353 0.0000 0.0000 52022.6535 -109933.7949 298.9749 -161956.4483 -109573.8520 298.6474 165.4740 190.0697 758065.3487 3.3595 3.1596 LDB: ============= START OF LOAD BALANCING ============== 4786.1 LDB: ============== END OF LOAD BALANCING =============== 4786.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4786.11 LDB: ============= START OF LOAD BALANCING ============== 4786.43 LDB: Largest compute 7024 load 0.035896 is 18.4% of average load 0.195394 LDB: Average compute 0.004384 is 2.2% of average load 0.195394 LDB: TIME 4786.43 LOAD: AVG 0.195394 MAX 0.21004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 4786.43 LOAD: AVG 0.195394 MAX 0.21004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: TIME 4786.43 LOAD: AVG 0.195394 MAX 0.21004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: ============== END OF LOAD BALANCING =============== 4786.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4786.44 PRESSURE: 1488400 -106.46 -143.084 -2.27095 -143.084 234.33 123.91 -2.27108 123.911 82.7543 GPRESSURE: 1488400 -28.0955 -92.0669 0.217672 -135.71 207.08 109.631 40.6508 87.6685 119.348 PRESSAVG: 1488400 12.745 -9.6793 -0.142574 -9.67925 -70.8672 7.18407 -0.142522 7.18416 -13.1947 GPRESSAVG: 1488400 10.6733 -7.8379 -1.21879 -11.8501 -68.7463 7.82149 1.02422 6.58594 -12.4773 TIMING: 1488400 CPU: 4774.33, 0.00327508/step Wall: 4774.33, 0.00327508/step, 3.19465 hours remaining, 232.718750 MB of memory in use. ENERGY: 1488400 3983.2087 20524.3403 14535.8261 250.8304 -203474.2368 2269.3731 0.0000 0.0000 51935.2351 -109975.4230 298.4725 -161910.6581 -109617.8138 298.4070 70.2081 99.4440 759266.7868 -23.7723 -23.5167 PRESSURE: 1488600 185.221 49.2779 -65.0985 49.2779 62.6005 -94.3435 -65.0986 -94.344 45.628 GPRESSURE: 1488600 211.193 55.5434 -114.735 62.4484 75.4355 -77.4687 -26.3646 19.137 90.7887 PRESSAVG: 1488600 36.7714 -62.1466 0.015253 -62.1466 -24.1685 3.55963 0.015198 3.55962 9.55276 GPRESSAVG: 1488600 37.6018 -64.3987 1.40591 -61.1958 -24.3766 3.25672 -0.424617 4.13564 8.87357 TIMING: 1488600 CPU: 4774.97, 0.00318958/step Wall: 4774.97, 0.00318958/step, 3.11108 hours remaining, 232.789062 MB of memory in use. ENERGY: 1488600 3978.7239 20454.6270 14465.9432 209.3152 -203361.9095 2466.7620 0.0000 0.0000 51790.1534 -109996.3848 297.6387 -161786.5382 -109632.7934 298.3225 97.8165 125.8058 758006.9533 7.3852 7.3663 PRESSURE: 1488800 -145.036 -37.7659 -37.5872 -37.766 42.787 -287.636 -37.5878 -287.637 221.063 GPRESSURE: 1488800 -143.247 5.29995 -11.2851 -79.0994 206.825 -266.102 -19.1228 -195.093 148.228 PRESSAVG: 1488800 25.2593 -35.796 -34.5824 -35.796 8.32871 -0.590295 -34.5824 -0.590241 -21.0331 GPRESSAVG: 1488800 26.3191 -35.5259 -34.6239 -35.658 8.04185 -0.4455 -34.4721 -0.00320067 -21.914 TIMING: 1488800 CPU: 4775.6, 0.00316968/step Wall: 4775.6, 0.00316968/step, 3.0915 hours remaining, 232.789062 MB of memory in use. ENERGY: 1488800 4018.5357 20473.7769 14498.3128 239.8528 -203591.0186 2460.6169 0.0000 0.0000 51813.6444 -110086.2791 297.7737 -161899.9235 -109729.9423 297.9331 39.6047 70.6022 759155.3282 4.1850 4.1490 PRESSURE: 1489000 -183.688 68.2957 63.0451 68.2948 -162.854 153.251 63.0456 153.251 256.072 GPRESSURE: 1489000 -82.5618 -66.5934 13.2812 96.8133 -121.784 165.569 112.863 124.653 232.66 PRESSAVG: 1489000 -8.75984 -45.0063 -3.04123 -45.0062 -14.8532 -29.8969 -3.04117 -29.897 -16.1892 GPRESSAVG: 1489000 -8.02661 -44.3447 -4.00013 -46.3633 -15.9814 -30.4595 -3.23512 -30.0634 -16.2321 TIMING: 1489000 CPU: 4776.24, 0.00317482/step Wall: 4776.24, 0.00317482/step, 3.09634 hours remaining, 232.789062 MB of memory in use. ENERGY: 1489000 3919.6155 20572.2106 14421.1049 261.0888 -203289.1727 2359.0940 0.0000 0.0000 51890.3338 -109865.7251 298.2145 -161756.0589 -109507.9686 298.5364 -30.1566 9.4383 760162.7460 -13.2674 -13.4134 PRESSURE: 1489200 -403.646 -224.345 20.0287 -224.344 -367.779 252.558 20.0283 252.558 -240.701 GPRESSURE: 1489200 -436.582 -191.482 15.8695 -58.4835 -256.423 248.804 -43.7214 258.479 -231.181 PRESSAVG: 1489200 30.9969 -35.8299 -7.70224 -35.8298 -10.913 12.4136 -7.70218 12.4137 -34.7692 GPRESSAVG: 1489200 29.8428 -36.6218 -8.32155 -33.9917 -10.422 13.9407 -7.06372 10.8668 -33.9645 TIMING: 1489200 CPU: 4776.87, 0.00317711/step Wall: 4776.87, 0.00317711/step, 3.09839 hours remaining, 232.789062 MB of memory in use. ENERGY: 1489200 4019.0642 20394.8792 14435.7048 239.9001 -202876.0918 2047.7747 0.0000 0.0000 51760.1675 -109978.6014 297.4664 -161738.7689 -109620.6382 298.8299 -337.3753 -308.0621 759759.2251 -4.8951 -4.8479 PRESSURE: 1489400 270.374 -4.24341 -120.651 -4.24302 33.2135 -86.0975 -120.651 -86.0988 -208.266 GPRESSURE: 1489400 214.093 35.7572 -107.106 24.353 127.856 -158.034 -134.781 74.0129 -161.988 PRESSAVG: 1489400 16.7957 -16.0588 16.4434 -16.0589 -6.92594 2.15061 16.4434 2.15052 8.63026 GPRESSAVG: 1489400 17.1569 -13.8591 16.215 -17.6379 -7.11225 0.350267 15.831 4.86586 8.46099 TIMING: 1489400 CPU: 4777.5, 0.00314445/step Wall: 4777.5, 0.00314445/step, 3.06636 hours remaining, 232.789062 MB of memory in use. ENERGY: 1489400 3918.4139 20334.2231 14415.6631 251.1858 -203311.4348 2544.1600 0.0000 0.0000 52054.5014 -109793.2876 299.1579 -161847.7889 -109435.1887 298.6770 31.7740 59.9867 759576.9616 6.1667 6.1685 PRESSURE: 1489600 -53.9317 -12.2354 -92.8436 -12.2347 -50.6961 22.1444 -92.8435 22.1445 207.572 GPRESSURE: 1489600 98.1317 92.7823 -122.624 53.1422 -120.982 133.054 -249.662 -19.2983 199.666 PRESSAVG: 1489600 6.19562 -37.7274 -10.764 -37.7274 -16.7134 50.0259 -10.764 50.0259 31.8321 GPRESSAVG: 1489600 5.92519 -39.217 -8.77784 -36.4239 -16.1577 50.5871 -12.6672 47.655 31.5231 TIMING: 1489600 CPU: 4778.14, 0.00319626/step Wall: 4778.14, 0.00319626/step, 3.11671 hours remaining, 232.789062 MB of memory in use. ENERGY: 1489600 4022.1508 20435.0690 14432.5278 257.9831 -203242.9412 2570.3650 0.0000 0.0000 51825.0721 -109699.7734 297.8394 -161524.8455 -109333.2995 298.8630 34.3147 58.9388 760869.4589 7.1048 7.0969 PRESSURE: 1489800 -90.9194 120.302 -239.901 120.302 -56.2933 71.4498 -239.902 71.4502 -461.337 GPRESSURE: 1489800 -97.1836 160.178 -227.977 38.4724 -63.7916 33.6013 -153.749 7.11898 -366.36 PRESSAVG: 1489800 8.44505 -31.4261 -23.4279 -31.4261 -70.1459 42.0999 -23.4279 42.0999 11.7651 GPRESSAVG: 1489800 8.82951 -32.4584 -25.0589 -33.1238 -69.9645 42.0957 -21.5978 40.1035 11.3815 TIMING: 1489800 CPU: 4778.78, 0.00320021/step Wall: 4778.78, 0.00320021/step, 3.12038 hours remaining, 232.789062 MB of memory in use. ENERGY: 1489800 4047.6816 20369.4183 14391.8191 255.1562 -203244.6896 2486.0867 0.0000 0.0000 51867.0662 -109827.4616 298.0807 -161694.5278 -109474.7606 298.3841 -202.8498 -175.7783 759064.9509 -16.6453 -16.5845 PRESSURE: 1490000 -191.256 -216.031 -36.5328 -216.03 275.893 -116.661 -36.5326 -116.661 91.5745 GPRESSURE: 1490000 -38.8651 -191.952 9.00818 7.18358 147.869 -141.602 49.205 -74.7983 163.639 PRESSAVG: 1490000 -16.4984 -23.2789 1.23091 -23.2789 43.2844 3.61003 1.23078 3.61004 2.80211 GPRESSAVG: 1490000 -15.6312 -21.363 0.273673 -23.148 42.517 3.08239 1.56853 7.92604 3.03754 TIMING: 1490000 CPU: 4779.42, 0.00316811/step Wall: 4779.42, 0.00316811/step, 3.08891 hours remaining, 232.789062 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: 1490000 3947.6484 20683.5563 14493.0707 229.8161 -203706.7116 2537.6436 0.0000 0.0000 52023.7895 -109791.1871 298.9814 -161814.9765 -109433.0523 298.8817 58.7373 90.8811 759023.1174 9.8627 9.9745 PRESSURE: 1490200 -380.547 -174.2 -120.387 -174.2 -51.7923 -116.011 -120.388 -116.011 199.736 GPRESSURE: 1490200 -337.093 -88.4219 -96.5432 -256.697 -17.4858 -142.344 -210.611 70.7171 207.207 PRESSAVG: 1490200 12.7444 -46.77 31.9965 -46.77 20.476 66.1992 31.9966 66.1993 17.3168 GPRESSAVG: 1490200 10.5733 -50.0106 32.83 -44.3278 20.153 67.767 31.0186 64.8063 19.0339 TIMING: 1490200 CPU: 4780.05, 0.00319171/step Wall: 4780.05, 0.00319171/step, 3.11174 hours remaining, 232.789062 MB of memory in use. ENERGY: 1490200 3986.1294 20400.5752 14450.5034 237.1354 -203350.2582 2244.8186 0.0000 0.0000 52271.2670 -109759.8292 300.4037 -162031.0962 -109398.6889 298.8978 -77.5346 -49.1239 758537.1381 16.8458 16.5867 PRESSURE: 1490400 -292.344 50.9351 -143.424 50.9351 -106.615 16.629 -143.424 16.6303 118.091 GPRESSURE: 1490400 -169.762 71.9886 -101.288 29.627 -110.79 17.0533 -43.7472 84.138 96.61 PRESSAVG: 1490400 -97.2251 -36.6728 14.4997 -36.6729 61.1107 -8.49621 14.4997 -8.49623 14.3982 GPRESSAVG: 1490400 -96.0837 -34.0879 14.4681 -37.672 61.4784 -8.83718 15.5225 -8.55886 12.8464 TIMING: 1490400 CPU: 4780.69, 0.00318381/step Wall: 4780.69, 0.00318381/step, 3.10386 hours remaining, 232.789062 MB of memory in use. ENERGY: 1490400 3982.3136 20506.9738 14436.6968 249.7520 -203605.0385 2553.3831 0.0000 0.0000 52248.8487 -109627.0706 300.2749 -161875.9193 -109255.4974 299.2159 -93.6227 -61.3141 758830.9763 -7.2387 -7.2530 PRESSURE: 1490600 -222.759 -189.352 38.5031 -189.353 -69.4977 230.294 38.5024 230.294 -193.119 GPRESSURE: 1490600 -236.77 -168.079 -36.0717 -99.1559 32.9221 254.11 244.259 191.432 -171.412 PRESSAVG: 1490600 -58.662 65.7673 60.6831 65.7673 50.6836 7.0158 60.6831 7.01585 -7.62336 GPRESSAVG: 1490600 -60.3012 66.0086 62.9818 65.3193 52.4217 5.37259 61.2621 7.59809 -6.92315 TIMING: 1490600 CPU: 4781.33, 0.00318389/step Wall: 4781.33, 0.00318389/step, 3.10376 hours remaining, 232.789062 MB of memory in use. ENERGY: 1490600 4053.3606 20415.0862 14490.0687 252.9055 -203703.1118 2599.6513 0.0000 0.0000 51925.0406 -109966.9988 298.4139 -161892.0394 -109590.0075 298.9883 -161.7919 -125.0868 759397.6097 -5.2006 -4.9342 PRESSURE: 1490800 224.77 96.1444 35.7437 96.1452 137.826 30.4217 35.7429 30.4234 -364.528 GPRESSURE: 1490800 297.699 102.515 53.6365 108.264 178.963 49.2003 -42.5141 31.8665 -391.457 PRESSAVG: 1490800 23.1288 -65.614 -27.8716 -65.6139 15.4732 23.5302 -27.8717 23.5302 3.14248 GPRESSAVG: 1490800 23.587 -66.5287 -28.4793 -66.6734 14.3766 24.6526 -30.3909 22.2804 4.03873 TIMING: 1490800 CPU: 4781.96, 0.00317147/step Wall: 4781.96, 0.00317147/step, 3.09147 hours remaining, 232.789062 MB of memory in use. ENERGY: 1490800 3987.7542 20592.8380 14351.4126 276.2490 -203222.2868 2255.2375 0.0000 0.0000 51700.3475 -110058.4480 297.1226 -161758.7955 -109701.9852 298.4219 -0.6443 28.4017 759197.1769 13.9148 14.0008 PRESSURE: 1491000 323.038 10.6626 51.5467 10.6628 271.105 -85.9849 51.5465 -85.9848 616.307 GPRESSURE: 1491000 429.257 1.96208 62.1013 -44.8005 205.919 -72.2351 16.2721 -144.153 656.398 PRESSAVG: 1491000 -1.9916 -8.70147 33.3509 -8.70147 9.77751 10.2298 33.3509 10.2299 11.6003 GPRESSAVG: 1491000 -0.941526 -8.96878 32.8006 -8.58873 9.78842 10.2334 32.9197 10.397 10.7523 TIMING: 1491000 CPU: 4782.6, 0.0031721/step Wall: 4782.6, 0.0031721/step, 3.09192 hours remaining, 232.789062 MB of memory in use. ENERGY: 1491000 3944.3123 20599.3354 14399.0851 259.1675 -203802.4202 2552.7022 0.0000 0.0000 52143.1495 -109904.6683 299.6674 -162047.8178 -109540.1476 298.8616 403.4835 430.5245 758708.9121 6.4621 6.5331 PRESSURE: 1491200 -199.599 -142.749 -175.803 -142.749 -203.945 101.769 -175.804 101.768 298.615 GPRESSURE: 1491200 -207.677 76.3632 -147.478 -201.497 -124.666 32.8673 -127.489 24.3602 326.657 PRESSAVG: 1491200 -17.5213 -47.4492 31.0363 -47.4491 4.85544 0.250517 31.0363 0.250538 -2.56271 GPRESSAVG: 1491200 -19.0937 -46.329 29.5319 -43.6653 5.82841 0.514123 33.1942 -1.13594 -2.41684 TIMING: 1491200 CPU: 4783.24, 0.00320086/step Wall: 4783.24, 0.00320086/step, 3.11978 hours remaining, 232.789062 MB of memory in use. ENERGY: 1491200 3980.1945 20593.2827 14496.7419 248.9026 -203721.3325 2520.2458 0.0000 0.0000 52210.5699 -109671.3952 300.0549 -161881.9650 -109305.8267 299.1938 -34.9763 -1.8951 758779.8070 -5.0762 -5.2274 PRESSURE: 1491400 -65.5628 -34.2086 6.62994 -34.2075 -24.1185 -199.406 6.63012 -199.406 405.448 GPRESSURE: 1491400 65.1528 -151.542 70.0791 -78.0149 22.1246 -190.085 -87.0444 -125.211 338.948 PRESSAVG: 1491400 2.37072 -64.4501 27.7578 -64.4501 -21.75 41.5434 27.7578 41.5434 18.7587 GPRESSAVG: 1491400 3.22974 -62.1534 28.9613 -68.2493 -22.1185 40.1115 26.5914 43.2173 18.8799 TIMING: 1491400 CPU: 4783.87, 0.00316676/step Wall: 4783.87, 0.00316676/step, 3.08636 hours remaining, 232.789062 MB of memory in use. ENERGY: 1491400 3943.5702 20564.3104 14392.7218 265.2820 -203538.9916 2605.7580 0.0000 0.0000 51892.9033 -109874.4457 298.2292 -161767.3491 -109519.8564 299.2070 105.2556 142.0751 758745.3220 -0.2069 -0.0029 PRESSURE: 1491600 92.4576 -22.7354 -89.0869 -22.735 -173.231 -43.2065 -89.0866 -43.2057 98.0478 GPRESSURE: 1491600 58.4346 -18.2793 -73.7391 73.7315 -110.53 83.6255 -155.814 -64.1971 151.108 PRESSAVG: 1491600 -11.769 -64.0443 -2.51047 -64.0443 23.8442 66.5062 -2.5105 66.5063 -8.63132 GPRESSAVG: 1491600 -11.4249 -65.5841 -2.51231 -64.7853 24.2854 66.7864 -2.34457 67.6862 -9.27937 TIMING: 1491600 CPU: 4784.5, 0.00315919/step Wall: 4784.5, 0.00315919/step, 3.07881 hours remaining, 232.789062 MB of memory in use. ENERGY: 1491600 3954.1606 20540.3183 14419.6495 258.8060 -203478.1061 2333.3539 0.0000 0.0000 51953.0573 -110018.7606 298.5749 -161971.8179 -109647.0008 298.8651 5.7580 33.0042 759796.7715 1.1480 1.1937 PRESSURE: 1491800 -47.6387 -81.3013 -23.4655 -81.3009 -144.122 159.519 -23.465 159.519 -69.7688 GPRESSURE: 1491800 17.4619 33.547 36.9484 -13.156 -131.844 68.1007 -5.4382 113.638 -69.0212 PRESSAVG: 1491800 -46.054 -111.455 52.9063 -111.455 -29.2625 53.7805 52.9064 53.7804 -4.47188 GPRESSAVG: 1491800 -45.6264 -113.472 53.3568 -109.737 -28.3061 53.8616 54.0625 53.6957 -4.80641 TIMING: 1491800 CPU: 4785.14, 0.00317958/step Wall: 4785.14, 0.00317958/step, 3.0985 hours remaining, 232.789062 MB of memory in use. ENERGY: 1491800 4100.3201 20510.6845 14421.0766 262.7352 -203502.4690 2228.9548 0.0000 0.0000 51963.3596 -110015.3382 298.6341 -161978.6978 -109661.6359 298.2637 -87.1764 -61.1343 759742.0532 -26.5961 -26.2463 PRESSURE: 1492000 -126.709 -15.5082 -40.5519 -15.5089 75.5843 -17.6812 -40.5516 -17.6802 -310.166 GPRESSURE: 1492000 -56.9116 -114.684 -3.73066 69.3948 36.608 3.79489 -91.883 -93.6998 -263.29 PRESSAVG: 1492000 29.6888 -35.9175 8.99285 -35.9176 -14.5232 -10.4016 8.99286 -10.4016 1.12074 GPRESSAVG: 1492000 29.9113 -34.0487 9.44335 -35.4917 -15.7205 -10.5121 6.59614 -11.2977 1.86139 TIMING: 1492000 CPU: 4785.77, 0.00317526/step Wall: 4785.77, 0.00317526/step, 3.09412 hours remaining, 232.789062 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: 1492000 4018.9672 20697.9762 14427.5366 248.3056 -203288.7668 2158.9292 0.0000 0.0000 51978.4626 -109758.5894 298.7209 -161737.0520 -109398.5650 299.4072 -120.4302 -94.5310 760557.6323 5.4288 5.3507 PRESSURE: 1492200 239.796 -1.54164 -166.095 -1.54121 -306.085 71.9066 -166.095 71.906 177.853 GPRESSURE: 1492200 270.239 -102.642 -275.101 30.6376 -219.958 166.034 -83.304 26.2837 143.412 PRESSAVG: 1492200 14.8266 -39.0285 -2.90255 -39.0285 -10.5495 -12.9178 -2.90252 -12.9179 -6.42667 GPRESSAVG: 1492200 14.7875 -38.9136 -4.37051 -40.4839 -10.3228 -12.01 -1.34005 -13.8037 -6.16923 TIMING: 1492200 CPU: 4786.41, 0.00318262/step Wall: 4786.41, 0.00318262/step, 3.10111 hours remaining, 232.789062 MB of memory in use. ENERGY: 1492200 3966.2594 20549.2722 14398.4249 237.7400 -203343.0323 2427.6120 0.0000 0.0000 52063.3793 -109700.3446 299.2090 -161763.7238 -109346.9900 298.9682 37.1880 64.5642 759043.0441 -0.7165 -0.5682 LDB: ============= START OF LOAD BALANCING ============== 4798.83 LDB: ============== END OF LOAD BALANCING =============== 4798.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4798.83 LDB: ============= START OF LOAD BALANCING ============== 4799.15 LDB: Largest compute 7025 load 0.035323 is 18.1% of average load 0.195354 LDB: Average compute 0.004394 is 2.2% of average load 0.195354 LDB: TIME 4799.15 LOAD: AVG 0.195354 MAX 0.21281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.645 MB LDB: TIME 4799.15 LOAD: AVG 0.195354 MAX 0.21281 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: TIME 4799.15 LOAD: AVG 0.195354 MAX 0.21281 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.715 MB LDB: ============== END OF LOAD BALANCING =============== 4799.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4799.16 PRESSURE: 1492400 -402.895 -220.422 52.7386 -220.422 163.163 76.6514 52.7386 76.6524 -288.014 GPRESSURE: 1492400 -392.228 -210.723 197.807 -199.534 216.323 45.5458 -133.149 76.7686 -269.107 PRESSAVG: 1492400 1.95857 15.7742 -64.1692 15.7742 7.1478 15.5131 -64.1693 15.5132 17.8575 GPRESSAVG: 1492400 2.06486 12.5226 -62.7786 15.1875 7.90297 14.286 -63.7664 14.7834 17.2861 TIMING: 1492400 CPU: 4787.05, 0.00322706/step Wall: 4787.05, 0.00322706/step, 3.14423 hours remaining, 230.601562 MB of memory in use. ENERGY: 1492400 4057.3637 20534.7277 14440.1798 251.0629 -203390.5432 2372.5390 0.0000 0.0000 52332.4197 -109402.2503 300.7551 -161734.6700 -109021.3489 299.7965 -175.9153 -148.3376 758899.9839 8.9880 9.0846 PRESSURE: 1492600 322.457 38.2824 -42.5062 38.2823 -245.778 -98.1704 -42.5065 -98.1707 -216.711 GPRESSURE: 1492600 315.577 26.7359 13.3888 70.9231 -111.254 -166.103 31.4552 5.11741 -264.69 PRESSAVG: 1492600 1.46016 -42.5039 -28.9706 -42.504 69.1866 74.614 -28.9705 74.614 11.9778 GPRESSAVG: 1492600 0.443869 -41.0065 -30.6256 -39.744 69.4229 73.9521 -29.4974 77.4866 12.3466 TIMING: 1492600 CPU: 4787.69, 0.00317415/step Wall: 4787.69, 0.00317415/step, 3.0925 hours remaining, 230.804688 MB of memory in use. ENERGY: 1492600 4002.1125 20476.7136 14538.5602 265.5626 -203626.7876 2812.4159 0.0000 0.0000 52144.9976 -109386.4252 299.6780 -161531.4229 -109019.8568 299.8507 -46.6776 -20.1224 759113.4883 27.5415 27.4045 PRESSURE: 1492800 343.731 16.007 -88.9476 16.0068 -64.1683 164.728 -88.9462 164.728 -54.8641 GPRESSURE: 1492800 400.582 57.7907 -91.7199 -8.11519 -56.4302 124.123 -166.776 168.993 -32.8469 PRESSAVG: 1492800 27.5435 2.73773 30.1417 2.73772 -5.90691 -0.128291 30.1417 -0.128257 -18.7483 GPRESSAVG: 1492800 28.4752 3.05524 31.6511 0.47016 -6.71108 0.795269 28.6316 -1.92498 -18.6657 TIMING: 1492800 CPU: 4788.32, 0.00316896/step Wall: 4788.32, 0.00316896/step, 3.08727 hours remaining, 231.003906 MB of memory in use. ENERGY: 1492800 4047.8295 20296.2344 14465.6322 250.1152 -202953.5892 2430.9140 0.0000 0.0000 52072.8882 -109389.9757 299.2636 -161462.8639 -109037.2970 299.6189 74.8995 103.7684 759742.9928 0.9628 1.0328 PRESSURE: 1493000 -411.796 -10.8445 -50.3202 -10.8445 29.2451 -8.91347 -50.3205 -8.91306 -387.713 GPRESSURE: 1493000 -416.632 55.6928 -66.9376 -78.4952 50.2539 -74.9296 8.40359 -10.5416 -295.637 PRESSAVG: 1493000 -36.9925 -34.4846 -4.23325 -34.4846 -10.697 52.2647 -4.23325 52.2646 4.89753 GPRESSAVG: 1493000 -37.278 -34.8573 -5.01047 -34.0536 -10.6537 50.9975 -2.65194 51.9316 4.9452 TIMING: 1493000 CPU: 4788.96, 0.00317574/step Wall: 4788.96, 0.00317574/step, 3.0937 hours remaining, 231.003906 MB of memory in use. ENERGY: 1493000 3972.5985 20562.6188 14409.8012 248.1139 -202882.7710 2098.7948 0.0000 0.0000 52224.9286 -109365.9152 300.1374 -161590.8438 -109005.6115 299.5174 -256.7547 -220.6718 759599.4791 -14.2640 -14.3288 PRESSURE: 1493200 -0.224803 298.395 -19.4581 298.394 17.9093 107.093 -19.4583 107.092 160.306 GPRESSURE: 1493200 64.3688 233.44 2.01136 209.95 160.839 82.8691 -34.4987 91.8101 50.4094 PRESSAVG: 1493200 16.1393 -1.18097 -49.1243 -1.18099 -55.3604 19.5862 -49.1243 19.5862 -18.6954 GPRESSAVG: 1493200 15.2688 -1.87172 -48.4222 -0.469802 -54.3141 21.9207 -49.0551 19.4878 -19.4563 TIMING: 1493200 CPU: 4789.59, 0.00315943/step Wall: 4789.59, 0.00315943/step, 3.07764 hours remaining, 231.003906 MB of memory in use. ENERGY: 1493200 3999.8356 20561.7255 14435.3792 249.2562 -203100.1234 2140.0037 0.0000 0.0000 52136.9638 -109576.9594 299.6318 -161713.9232 -109211.0607 299.8431 59.3303 91.8724 759110.6424 -19.3055 -19.5005 PRESSURE: 1493400 -102.666 -239.661 33.173 -239.661 119.732 133.19 33.1724 133.189 -40.4657 GPRESSURE: 1493400 -106.348 -195.007 -6.86766 -216.989 153.439 35.3748 69.3597 287.57 -0.231866 PRESSAVG: 1493400 56.5678 -27.9244 29.6042 -27.9244 -33.5505 20.4878 29.6042 20.4877 9.21747 GPRESSAVG: 1493400 57.6795 -26.2689 31.1111 -29.1337 -35.4422 19.1123 27.831 22.2414 10.082 TIMING: 1493400 CPU: 4790.22, 0.00313991/step Wall: 4790.22, 0.00313991/step, 3.05845 hours remaining, 231.003906 MB of memory in use. ENERGY: 1493400 4009.3485 20513.7004 14441.1152 275.9092 -203571.9909 2552.3234 0.0000 0.0000 52231.2049 -109548.3893 300.1735 -161779.5942 -109171.4481 299.7073 -7.7998 15.6199 760405.6990 10.7449 10.7731 PRESSURE: 1493600 71.3045 29.2524 -184.627 29.2518 37.1563 -174.654 -184.626 -174.654 -50.1353 GPRESSURE: 1493600 114.913 27.5573 -160.014 32.4854 110.073 -203.75 -139.127 -285.643 -36.6961 PRESSAVG: 1493600 52.2317 -71.7681 22.3134 -71.7681 -31.1156 34.4085 22.3134 34.4085 7.58373 GPRESSAVG: 1493600 50.7627 -71.4828 21.7829 -71.1503 -29.9789 33.9984 22.6153 35.1665 7.83645 TIMING: 1493600 CPU: 4790.86, 0.0031958/step Wall: 4790.86, 0.0031958/step, 3.11271 hours remaining, 231.003906 MB of memory in use. ENERGY: 1493600 3997.4397 20355.9062 14487.8192 236.7945 -203267.1686 2664.7370 0.0000 0.0000 52008.7870 -109515.6851 298.8952 -161524.4721 -109143.4638 299.8984 19.4418 62.7632 760133.8018 9.5666 9.5401 PRESSURE: 1493800 295.709 44.934 169.661 44.9342 -270.301 -173.647 169.661 -173.647 -454.098 GPRESSURE: 1493800 310.942 -35.7987 182.933 18.6809 -176.33 -195.859 67.6135 -218.161 -472.255 PRESSAVG: 1493800 -2.18854 -11.952 23.2359 -11.952 12.4447 10.2128 23.236 10.2129 -1.10803 GPRESSAVG: 1493800 -1.59902 -12.8817 23.0435 -13.5703 11.8787 11.0365 23.1523 8.44287 -0.850775 TIMING: 1493800 CPU: 4791.5, 0.00319938/step Wall: 4791.5, 0.00319938/step, 3.11602 hours remaining, 231.003906 MB of memory in use. ENERGY: 1493800 4014.2800 20429.8765 14459.7385 219.7794 -202945.6307 2287.0469 0.0000 0.0000 52208.4559 -109326.4535 300.0427 -161534.9094 -108967.5885 299.7156 -142.8965 -112.5478 761900.4872 3.0494 3.1430 PRESSURE: 1494000 53.7735 -8.81143 267.865 -8.81136 -255.038 5.63867 267.866 5.63928 -294.315 GPRESSURE: 1494000 50.0213 -20.7542 176.211 -88.8023 -185.146 72.4713 119.909 -77.3965 -271.13 PRESSAVG: 1494000 45.8464 -29.7494 48.451 -29.7495 -36.4733 20.3281 48.4511 20.328 16.9047 GPRESSAVG: 1494000 45.7211 -29.6566 46.8227 -29.4587 -36.1563 20.7448 49.8714 19.9388 16.7577 TIMING: 1494000 CPU: 4792.13, 0.00316231/step Wall: 4792.13, 0.00316231/step, 3.07974 hours remaining, 231.003906 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: 1494000 3954.0618 20616.4401 14485.0864 251.7127 -202678.6500 2117.5108 0.0000 0.0000 51945.5452 -109308.2929 298.5318 -161253.8381 -108955.4761 299.9984 -165.1932 -135.4182 761629.8766 8.7592 8.7742 PRESSURE: 1494200 152.233 -68.2949 -7.09507 -68.2947 19.8901 -154.828 -7.09547 -154.827 -245.783 GPRESSURE: 1494200 158.908 -52.3844 3.07662 -69.7675 140.689 -173.074 98.8938 -101.965 -275.006 PRESSAVG: 1494200 69.4916 -55.4461 -30.7719 -55.4462 -38.6647 47.044 -30.7719 47.0439 8.92457 GPRESSAVG: 1494200 68.3434 -56.8125 -30.0079 -54.0896 -38.3885 47.6969 -31.0654 47.0059 9.25444 TIMING: 1494200 CPU: 4792.77, 0.0031858/step Wall: 4792.77, 0.0031858/step, 3.10243 hours remaining, 231.003906 MB of memory in use. ENERGY: 1494200 4030.7562 20457.5445 14503.3043 254.3018 -203259.8657 2410.7505 0.0000 0.0000 52122.2481 -109480.9603 299.5473 -161603.2084 -109122.7060 299.5703 -24.5533 8.1970 759527.1727 13.2505 13.0698 PRESSURE: 1494400 -316.886 20.1661 350.938 20.1664 -501.087 -233.262 350.938 -233.263 126.207 GPRESSURE: 1494400 -296.13 -121.266 328.466 59.8869 -426.994 -231.627 235.671 -231.777 118.625 PRESSAVG: 1494400 15.7986 -49.2949 15.7131 -49.295 -26.7366 11.0941 15.7132 11.0942 8.30647 GPRESSAVG: 1494400 17.3089 -51.5634 15.9908 -47.9029 -27.3231 9.4187 14.8273 12.9922 8.41875 TIMING: 1494400 CPU: 4793.4, 0.0031878/step Wall: 4793.4, 0.0031878/step, 3.10421 hours remaining, 231.003906 MB of memory in use. ENERGY: 1494400 4027.0983 20536.3095 14458.6208 242.7997 -203325.0563 2430.7892 0.0000 0.0000 51933.1969 -109696.2419 298.4608 -161629.4387 -109342.7532 299.4458 -230.5884 -201.4997 761371.2027 -0.8772 -0.5318 PRESSURE: 1494600 306.08 -47.6828 -74.4108 -47.6834 -33.6069 214.042 -74.4111 214.044 -20.1219 GPRESSURE: 1494600 328.551 -111.492 -152.626 32.9092 4.77996 188.81 -73.271 207.701 -6.74717 PRESSAVG: 1494600 -23.3636 -90.0023 81.9724 -90.0023 39.828 35.4691 81.9724 35.4691 -8.46128 GPRESSAVG: 1494600 -23.8943 -85.3792 81.1243 -92.7754 40.1332 36.3578 83.8173 33.2233 -8.16668 TIMING: 1494600 CPU: 4794.04, 0.00318753/step Wall: 4794.04, 0.00318753/step, 3.10377 hours remaining, 231.003906 MB of memory in use. ENERGY: 1494600 4065.3779 20569.3115 14468.6877 244.2124 -203364.8615 2398.0893 0.0000 0.0000 52096.6692 -109522.5134 299.4003 -161619.1827 -109169.4850 299.1806 84.1169 108.8612 760797.9073 2.6677 2.6907 PRESSURE: 1494800 -15.8774 -9.35638 83.2903 -9.35654 149.78 -210.382 83.2902 -210.381 -65.6618 GPRESSURE: 1494800 -4.70615 -138.529 106.029 26.4636 220.354 -13.6566 74.6272 -176.069 -45.3571 PRESSAVG: 1494800 -18.201 -16.9041 -5.73617 -16.9041 34.4532 8.87165 -5.73618 8.87166 23.919 GPRESSAVG: 1494800 -16.8721 -19.6547 -5.60806 -15.5219 34.2468 9.48657 -6.82683 10.4848 23.1032 TIMING: 1494800 CPU: 4794.68, 0.0031922/step Wall: 4794.68, 0.0031922/step, 3.10814 hours remaining, 231.003906 MB of memory in use. ENERGY: 1494800 4044.1105 20527.8929 14424.9912 243.5753 -203585.6150 2730.2069 0.0000 0.0000 52012.4664 -109602.3718 298.9164 -161614.8382 -109244.5853 299.7185 22.7468 56.7634 760947.2420 13.3904 13.4927 PRESSURE: 1495000 -73.9648 -12.4941 36.0242 -12.4938 -131.492 44.3339 36.0241 44.335 -216.878 GPRESSURE: 1495000 -71.6486 -23.9035 11.047 -115.188 -16.6265 46.8658 -88.8193 140.275 -232.075 PRESSAVG: 1495000 -40.9628 3.78802 5.11766 3.788 78.7018 7.56676 5.11775 7.56678 -17.9799 GPRESSAVG: 1495000 -41.2524 5.63018 5.39346 2.52507 79.2365 6.8004 5.84314 6.86973 -18.349 TIMING: 1495000 CPU: 4795.32, 0.00320735/step Wall: 4795.32, 0.00320735/step, 3.12271 hours remaining, 231.003906 MB of memory in use. ENERGY: 1495000 3975.4153 20408.0032 14467.1875 253.9502 -203076.1488 2312.1408 0.0000 0.0000 52259.9179 -109399.5338 300.3385 -161659.4517 -109026.8478 299.6030 -140.7783 -106.7833 760121.8788 6.5864 6.5450 PRESSURE: 1495200 67.6954 -117.271 13.2695 -117.271 126.107 223.993 13.2701 223.992 128.574 GPRESSURE: 1495200 61.1386 -164.218 88.6684 -111.747 119.644 239.104 116.615 171.838 242.586 PRESSAVG: 1495200 35.8553 -16.5967 27.7519 -16.5967 7.25518 5.28297 27.7519 5.28295 2.12014 GPRESSAVG: 1495200 36.4731 -15.8573 30.0364 -16.0649 6.97215 6.90021 24.819 4.2309 2.03757 TIMING: 1495200 CPU: 4795.96, 0.00318058/step Wall: 4795.96, 0.00318057/step, 3.09647 hours remaining, 231.003906 MB of memory in use. ENERGY: 1495200 4009.3763 20394.5718 14408.4442 255.0462 -203423.5251 2662.5649 0.0000 0.0000 52178.4388 -109515.0829 299.8702 -161693.5217 -109153.8162 300.1357 107.4585 141.1229 760425.3049 15.0769 15.1609 PRESSURE: 1495400 129.669 24.6652 -124.422 24.6653 -90.3127 168.284 -124.422 168.284 115.445 GPRESSURE: 1495400 212.884 109.744 -98.3757 68.6292 -110.388 117.403 -171.298 124.282 117.371 PRESSAVG: 1495400 -33.8331 -53.1907 -0.0683697 -53.1907 36.4839 29.3929 -0.0683998 29.3928 15.4336 GPRESSAVG: 1495400 -35.3012 -52.7295 -3.5093 -54.6651 36.761 27.5323 1.43307 29.4965 16.7964 TIMING: 1495400 CPU: 4796.6, 0.00320623/step Wall: 4796.6, 0.00320623/step, 3.12126 hours remaining, 231.003906 MB of memory in use. ENERGY: 1495400 4005.6869 20526.8488 14409.9705 276.2347 -203405.8382 2543.8697 0.0000 0.0000 51874.3930 -109768.8346 298.1228 -161643.2276 -109410.5247 299.2373 51.6006 73.2891 758656.6168 6.0281 6.0854 PRESSURE: 1495600 74.4793 -55.2486 -25.6328 -55.2492 -91.6168 10.969 -25.6321 10.9699 -89.3439 GPRESSURE: 1495600 137.533 -67.3081 39.2148 5.32829 -86.5748 -11.6313 -57.9241 -23.2254 -82.1345 PRESSAVG: 1495600 -35.6318 -39.7338 21.9271 -39.7338 44.1663 37.475 21.9271 37.475 -1.93903 GPRESSAVG: 1495600 -34.5942 -41.0443 23.6944 -38.8358 43.3785 37.5605 21.3135 37.8439 -2.25749 TIMING: 1495600 CPU: 4797.24, 0.00322368/step Wall: 4797.24, 0.00322368/step, 3.13808 hours remaining, 231.003906 MB of memory in use. ENERGY: 1495600 3992.0793 20437.7726 14492.8437 234.9268 -203173.4895 2377.0849 0.0000 0.0000 52001.1395 -109637.6429 298.8513 -161638.7824 -109277.0823 299.1595 -35.4938 -10.3920 760166.4893 2.1985 2.1756 PRESSURE: 1495800 234.148 -136.203 10.5731 -136.204 381.797 -88.1434 10.5731 -88.142 229.464 GPRESSURE: 1495800 190.449 -173.609 -115.494 -87.0622 444.456 -131.667 11.6892 -234.576 302.078 PRESSAVG: 1495800 -4.05614 -31.3792 68.6764 -31.3791 28.1962 36.5511 68.6764 36.5511 2.55098 GPRESSAVG: 1495800 -4.96634 -30.5996 67.6101 -32.3839 29.4989 37.5679 68.8593 34.4478 2.15391 TIMING: 1495800 CPU: 4797.89, 0.00322763/step Wall: 4797.89, 0.00322763/step, 3.14174 hours remaining, 231.003906 MB of memory in use. ENERGY: 1495800 4035.2037 20483.7229 14430.0839 286.6892 -203306.4201 2637.3315 0.0000 0.0000 51845.8437 -109587.5451 297.9588 -161433.3889 -109224.8490 299.1848 281.8032 312.3277 758179.7218 8.8970 8.8955 PRESSURE: 1496000 -277.673 -372.886 36.8903 -372.886 -33.1161 -96.5217 36.8901 -96.5213 317.185 GPRESSURE: 1496000 -169.326 -272.427 -10.4655 -290.559 -24.2732 -124.343 150.276 -38.0068 281.241 PRESSAVG: 1496000 -16.204 -63.9929 16.8643 -63.9929 40.8646 -18.7042 16.8643 -18.7042 12.4151 GPRESSAVG: 1496000 -15.5268 -63.7616 15.6948 -62.2589 40.0787 -19.9796 18.5381 -16.2629 12.1717 TIMING: 1496000 CPU: 4798.53, 0.0031783/step Wall: 4798.53, 0.0031783/step, 3.09354 hours remaining, 231.003906 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: 1496000 3961.2044 20555.0818 14492.2394 270.9110 -202955.1594 2212.7641 0.0000 0.0000 51958.2040 -109504.7547 298.6045 -161462.9587 -109137.6163 299.7023 2.1318 29.2140 759371.5340 12.3586 12.2412 PRESSURE: 1496200 75.2458 142.724 152.134 142.724 276.911 -38.5074 152.134 -38.508 57.935 GPRESSURE: 1496200 150.081 122.947 172.05 114.919 308.288 -34.1957 140.994 -8.92261 5.52637 PRESSAVG: 1496200 3.78163 -60.7654 -60.9318 -60.7654 3.62654 11.6346 -60.9318 11.6347 4.49729 GPRESSAVG: 1496200 3.02215 -61.0219 -61.9546 -60.1694 3.27689 11.9359 -62.7856 12.5229 5.12076 TIMING: 1496200 CPU: 4799.16, 0.00316776/step Wall: 4799.16, 0.00316776/step, 3.08311 hours remaining, 231.003906 MB of memory in use. ENERGY: 1496200 3911.7746 20466.0674 14430.6333 256.6937 -203286.3913 2444.0224 0.0000 0.0000 52120.7056 -109656.4943 299.5384 -161777.1999 -109295.2732 299.5919 136.6973 154.6318 760603.1556 3.9685 3.8066 LDB: ============= START OF LOAD BALANCING ============== 4811.58 LDB: ============== END OF LOAD BALANCING =============== 4811.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4811.58 LDB: ============= START OF LOAD BALANCING ============== 4811.9 LDB: Largest compute 7024 load 0.038027 is 19.5% of average load 0.195306 LDB: Average compute 0.004392 is 2.2% of average load 0.195306 LDB: TIME 4811.9 LOAD: AVG 0.195306 MAX 0.212633 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4811.9 LOAD: AVG 0.195306 MAX 0.212633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: TIME 4811.9 LOAD: AVG 0.195306 MAX 0.212633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: ============== END OF LOAD BALANCING =============== 4811.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4811.91 PRESSURE: 1496400 -131.562 145.491 -238.19 145.491 178.529 -140.811 -238.189 -140.812 -109.45 GPRESSURE: 1496400 -116.195 92.3921 -252.252 188.211 186.427 -184.782 -165.198 -197.407 -32.8128 PRESSAVG: 1496400 0.388917 -46.1503 -39.5742 -46.1504 -0.1599 -39.8157 -39.5742 -39.8157 8.67551 GPRESSAVG: 1496400 0.0851661 -46.5684 -37.7554 -46.3435 0.714031 -41.7228 -38.2974 -39.4652 8.88777 TIMING: 1496400 CPU: 4799.8, 0.0032257/step Wall: 4799.8, 0.0032257/step, 3.13932 hours remaining, 230.800781 MB of memory in use. ENERGY: 1496400 3981.4738 20339.3283 14429.9372 244.5677 -203819.7655 2973.6254 0.0000 0.0000 52265.3025 -109585.5306 300.3694 -161850.8330 -109222.5629 299.1753 -20.8275 12.4730 760609.1619 2.9682 3.2290 PRESSURE: 1496600 -262.217 204.512 80.8665 204.511 -83.0103 -12.57 80.8664 -12.5713 196.468 GPRESSURE: 1496600 -168.513 52.3563 35.4823 54.1062 -152.118 -11.3956 175.127 35.9561 268.983 PRESSAVG: 1496600 7.69215 37.4406 -71.9498 37.4406 14.5362 5.6454 -71.9498 5.64543 1.08429 GPRESSAVG: 1496600 7.7336 37.4802 -69.3809 37.0269 14.5947 6.49419 -73.5751 4.77671 1.07721 TIMING: 1496600 CPU: 4800.44, 0.00319564/step Wall: 4800.44, 0.00319564/step, 3.10989 hours remaining, 231.093750 MB of memory in use. ENERGY: 1496600 4072.5713 20414.4420 14449.7657 231.8586 -203249.1880 2396.8121 0.0000 0.0000 52048.8043 -109634.9341 299.1252 -161683.7384 -109279.3758 299.4860 -49.5863 -17.2160 759484.2117 7.7709 7.8018 PRESSURE: 1496800 427.833 137.084 -137.67 137.084 138.045 -229.611 -137.67 -229.609 393.171 GPRESSURE: 1496800 383.615 114.17 -80.6685 127.567 214.886 -215.675 -268.315 -61.0005 449.899 PRESSAVG: 1496800 -12.0787 -35.1034 -23.8648 -35.1034 27.4388 -10.7422 -23.8648 -10.7421 29.2131 GPRESSAVG: 1496800 -11.4823 -35.6731 -24.9843 -34.461 26.3145 -11.2962 -23.3832 -8.76402 29.4149 TIMING: 1496800 CPU: 4801.08, 0.00318444/step Wall: 4801.08, 0.00318444/step, 3.09882 hours remaining, 231.093750 MB of memory in use. ENERGY: 1496800 3970.1403 20502.6770 14417.9489 258.2637 -203592.2421 2687.2862 0.0000 0.0000 52253.6218 -109502.3043 300.3023 -161755.9261 -109148.8781 299.1441 319.6832 349.4666 760071.8905 14.8577 14.7490 PRESSURE: 1497000 -2.63664 -273.827 49.2934 -273.827 -45.2565 -66.2317 49.2936 -66.232 331.423 GPRESSURE: 1497000 67.8842 -103.651 62.3893 -317.017 -6.48266 26.0765 100.225 -96.2405 323.042 PRESSAVG: 1497000 -44.7764 -30.7525 -18.1517 -30.7525 -9.82867 11.844 -18.1516 11.844 -5.16042 GPRESSAVG: 1497000 -44.6513 -30.4781 -17.5508 -32.3714 -9.56263 13.8192 -19.519 12.4673 -5.43315 TIMING: 1497000 CPU: 4801.72, 0.00318843/step Wall: 4801.72, 0.00318842/step, 3.10251 hours remaining, 231.093750 MB of memory in use. ENERGY: 1497000 4006.7370 20390.0399 14470.7797 240.1584 -203407.4412 2721.7208 0.0000 0.0000 52120.0146 -109457.9908 299.5344 -161578.0054 -109097.2327 299.0432 94.5101 128.1478 760806.5783 -19.9218 -19.8824 PRESSURE: 1497200 -377.763 -197.758 161.844 -197.759 -301.423 289.231 161.844 289.232 -462.338 GPRESSURE: 1497200 -309.3 -189.344 68.8676 -146.987 -274.687 263.299 80.8027 97.9676 -482.958 PRESSAVG: 1497200 27.2455 -18.6496 1.28973 -18.6496 -5.86147 -6.30983 1.28974 -6.30982 -5.71894 GPRESSAVG: 1497200 27.8286 -18.1705 -0.625839 -17.8954 -6.1059 -6.16423 3.279 -9.407 -5.95524 TIMING: 1497200 CPU: 4802.35, 0.00316036/step Wall: 4802.35, 0.00316036/step, 3.07503 hours remaining, 231.093750 MB of memory in use. ENERGY: 1497200 4009.8396 20449.5652 14343.0162 241.8761 -203147.3272 2358.7268 0.0000 0.0000 52400.1173 -109344.1860 301.1442 -161744.3032 -108985.1148 299.8304 -380.5076 -355.6483 761045.7741 5.2217 5.2558 PRESSURE: 1497400 -263.29 -25.1018 25.9853 -25.1016 -103.153 -67.551 25.9849 -67.5522 20.88 GPRESSURE: 1497400 -229.817 -209.538 140.74 7.99833 -69.8958 -77.5663 53.5878 -149.261 17.9857 PRESSAVG: 1497400 -22.8795 -15.2963 -6.96113 -15.2963 22.9324 -42.8287 -6.96117 -42.8287 13.3354 GPRESSAVG: 1497400 -23.5457 -14.7948 -6.3567 -15.0578 23.1184 -42.4519 -6.48033 -44.3378 13.8843 TIMING: 1497400 CPU: 4802.99, 0.00317671/step Wall: 4802.99, 0.00317671/step, 3.09076 hours remaining, 231.093750 MB of memory in use. ENERGY: 1497400 3981.1926 20452.0260 14461.4438 264.6220 -202952.4584 2311.8455 0.0000 0.0000 52038.5011 -109442.8274 299.0660 -161481.3285 -109073.3688 299.8074 -115.1874 -93.9090 761647.1979 4.4628 4.4857 PRESSURE: 1497600 107.175 -94.5871 -109.948 -94.5865 -216.033 -78.641 -109.949 -78.6391 -99.4532 GPRESSURE: 1497600 57.3695 -142.352 -146.24 -50.3983 -96.647 -53.0092 31.0171 -113.677 -85.8345 PRESSAVG: 1497600 -15.9806 -28.2236 -28.0663 -28.2237 80.2576 -33.3716 -28.0663 -33.3715 -24.5913 GPRESSAVG: 1497600 -17.1625 -28.2222 -28.3472 -29.4339 81.7714 -33.9853 -29.271 -31.0287 -24.8208 TIMING: 1497600 CPU: 4803.62, 0.00318961/step Wall: 4803.62, 0.00318961/step, 3.10314 hours remaining, 231.164062 MB of memory in use. ENERGY: 1497600 3901.2676 20462.0583 14425.1770 236.6043 -203633.7346 2723.6286 0.0000 0.0000 52483.0525 -109401.9463 301.6208 -161884.9987 -109036.1147 299.7561 -69.4369 -41.7040 761441.6241 13.2285 13.2627 PRESSURE: 1497800 8.17484 -83.8754 112.282 -83.8758 -328.921 224.024 112.282 224.023 -286.994 GPRESSURE: 1497800 6.90445 -59.4846 23.6318 -109.146 -236.62 235.133 207.43 161.898 -271.556 PRESSAVG: 1497800 -24.705 3.15635 0.262648 3.15638 32.9445 -2.62339 0.262637 -2.62339 14.3289 GPRESSAVG: 1497800 -22.8296 2.04487 -0.0532026 2.95898 31.6168 -3.90818 -1.70016 -2.18751 13.5422 TIMING: 1497800 CPU: 4804.26, 0.00316456/step Wall: 4804.26, 0.00316456/step, 3.07859 hours remaining, 231.164062 MB of memory in use. ENERGY: 1497800 3873.8277 20356.8673 14430.1646 240.9364 -202964.6155 2291.0198 0.0000 0.0000 52204.6864 -109567.1133 300.0211 -161771.7997 -109190.5871 299.8562 -202.5799 -167.0904 760223.4942 7.5228 7.4431 PRESSURE: 1498000 -65.2023 -32.3022 -161.564 -32.3022 130.989 13.6026 -161.563 13.6022 -93.5291 GPRESSURE: 1498000 -42.6081 -54.8196 -223.991 -9.18947 162.757 114.525 -69.6551 101.626 -69.8901 PRESSAVG: 1498000 18.4832 -43.2095 -3.99745 -43.2095 49.5213 73.0993 -3.99744 73.0993 -7.46841 GPRESSAVG: 1498000 18.3058 -40.6711 -3.72197 -42.1332 49.4226 73.4957 -2.96669 72.015 -7.28233 TIMING: 1498000 CPU: 4804.89, 0.00317941/step Wall: 4804.89, 0.00317941/step, 3.09286 hours remaining, 231.164062 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: 1498000 3917.0163 20474.1412 14514.5934 261.6422 -203273.1955 2564.7658 0.0000 0.0000 51804.2089 -109736.8277 297.7195 -161541.0366 -109372.6831 298.8976 -9.2473 16.7529 759644.4018 20.1787 20.1487 PRESSURE: 1498200 -550.292 5.28328 -131.729 5.28361 -45.5635 18.7862 -131.729 18.7855 -83.3228 GPRESSURE: 1498200 -524.389 116.534 -162.327 -31.7491 17.4137 -117.963 -107.502 -23.0461 -102.338 PRESSAVG: 1498200 -6.06216 4.06546 20.0134 4.06551 26.1617 -70.6866 20.0135 -70.6866 -8.24059 GPRESSAVG: 1498200 -7.88907 4.61847 20.0264 2.54718 27.3007 -71.9672 19.8927 -68.1939 -7.62102 TIMING: 1498200 CPU: 4805.53, 0.00317161/step Wall: 4805.53, 0.00317161/step, 3.08509 hours remaining, 231.164062 MB of memory in use. ENERGY: 1498200 3955.0778 20513.4078 14467.2613 255.8125 -203204.6385 2506.2887 0.0000 0.0000 52081.1557 -109425.6347 299.3111 -161506.7904 -109072.2123 299.0708 -226.3927 -203.1043 760505.0256 3.9530 3.9302 PRESSURE: 1498400 -116.117 165.963 180.988 165.963 -130.386 11.1829 180.987 11.1816 -338.074 GPRESSURE: 1498400 22.696 117.618 215.654 138.45 -189.606 -69.8307 109.678 -29.3779 -334.532 PRESSAVG: 1498400 -79.3715 -7.19868 30.8556 -7.19858 16.3955 -1.42995 30.8557 -1.42991 -21.7157 GPRESSAVG: 1498400 -79.4905 -10.0068 31.1122 -6.20942 15.7799 -1.0677 31.2192 -3.06295 -21.1607 TIMING: 1498400 CPU: 4806.16, 0.00319001/step Wall: 4806.16, 0.00319001/step, 3.10281 hours remaining, 231.164062 MB of memory in use. ENERGY: 1498400 3972.9582 20484.4800 14498.9980 253.5047 -202767.5044 2163.7220 0.0000 0.0000 51873.8471 -109519.9943 298.1197 -161393.8415 -109157.8625 299.0406 -194.8591 -167.1473 760742.4740 -28.2306 -28.2904 PRESSURE: 1498600 318.555 -116.767 85.5302 -116.767 114.875 264.661 85.5296 264.66 -454.658 GPRESSURE: 1498600 291.229 -173.797 173.695 -143.227 203.999 204.212 23.8174 331.793 -419.616 PRESSAVG: 1498600 6.78456 -16.6847 47.5993 -16.6846 -24.1203 38.7401 47.5993 38.7402 10.0223 GPRESSAVG: 1498600 8.84021 -16.0752 46.4719 -16.8771 -25.4938 39.1379 47.5645 38.9336 10.1962 TIMING: 1498600 CPU: 4806.8, 0.00317132/step Wall: 4806.8, 0.00317132/step, 3.08446 hours remaining, 231.164062 MB of memory in use. ENERGY: 1498600 3999.2151 20385.6935 14461.8720 222.0305 -203308.3824 2518.5863 0.0000 0.0000 52234.2843 -109486.7006 300.1911 -161720.9849 -109130.7447 299.6127 -7.0760 25.2038 760655.3622 -2.4378 -2.1524 PRESSURE: 1498800 82.9737 -92.0551 257.709 -92.0559 69.6693 -199.249 257.708 -199.25 -153.847 GPRESSURE: 1498800 122.573 -90.8326 230.938 -93.3259 135.514 -234.287 182.712 -102.261 -143.389 PRESSAVG: 1498800 -30.7568 -32.6105 29.5636 -32.6105 -15.3585 25.7107 29.5637 25.7107 -21.5647 GPRESSAVG: 1498800 -30.3138 -34.2333 30.1559 -32.8794 -15.1859 24.9003 28.8082 26.0504 -22.0768 TIMING: 1498800 CPU: 4807.43, 0.0031676/step Wall: 4807.43, 0.0031676/step, 3.08067 hours remaining, 231.164062 MB of memory in use. ENERGY: 1498800 3857.5591 20568.2685 14491.0360 256.6634 -203002.9933 2207.0658 0.0000 0.0000 52126.5132 -109495.8873 299.5718 -161622.4005 -109131.0573 299.5528 -0.4015 38.2325 759748.1342 -22.5600 -22.5255 PRESSURE: 1499000 -13.4092 33.0107 -112.528 33.0102 -144.007 77.223 -112.528 77.2233 4.92006 GPRESSURE: 1499000 17.2333 16.4284 -251.885 -24.0573 -79.8888 10.4066 -69.4684 103.546 -5.54623 PRESSAVG: 1499000 37.7261 13.1905 88.3956 13.1904 39.8089 19.2028 88.3956 19.2027 0.202657 GPRESSAVG: 1499000 37.3984 13.0406 87.1475 12.2812 40.0429 19.2558 89.5719 18.9301 0.346386 TIMING: 1499000 CPU: 4808.06, 0.00314341/step Wall: 4808.06, 0.00314341/step, 3.05697 hours remaining, 231.164062 MB of memory in use. ENERGY: 1499000 3927.3668 20524.7778 14358.9753 245.7119 -202900.3778 2256.9673 0.0000 0.0000 52087.9040 -109498.6748 299.3499 -161586.5788 -109140.3370 300.2018 -50.8319 -22.7339 759231.5681 25.9125 25.9292 PRESSURE: 1499200 -287.25 73.2152 26.3147 73.215 -53.9298 -33.395 26.3149 -33.3941 -165.067 GPRESSURE: 1499200 -235.653 183.625 31.9618 64.5698 -42.6766 95.0631 44.6028 -46.1072 -157.023 PRESSAVG: 1499200 -0.804618 17.1599 31.5154 17.1599 18.1085 21.8964 31.5154 21.8964 23.5311 GPRESSAVG: 1499200 -1.2577 17.8862 31.3906 19.1986 19.7421 23.853 31.7756 21.1233 22.5851 TIMING: 1499200 CPU: 4808.69, 0.00315645/step Wall: 4808.69, 0.00315645/step, 3.06947 hours remaining, 231.164062 MB of memory in use. ENERGY: 1499200 3986.4176 20516.5090 14435.3537 230.3093 -203150.8446 2230.6492 0.0000 0.0000 52117.4150 -109634.1908 299.5195 -161751.6058 -109263.0143 299.7971 -168.7488 -145.1176 761176.2476 13.6117 13.6898 PRESSURE: 1499400 29.645 -16.8473 -49.5403 -16.8477 -5.20913 86.2196 -49.5397 86.2184 -42.9394 GPRESSURE: 1499400 -4.58275 -95.7868 -45.9893 -31.9992 36.9435 -73.461 -199.527 116.56 28.8587 PRESSAVG: 1499400 -1.2354 25.3719 -1.04039 25.3718 20.5604 -40.6568 -1.04038 -40.6569 8.44437 GPRESSAVG: 1499400 -0.926806 25.1918 -0.732669 24.735 21.2939 -41.1025 -0.215431 -41.6405 7.56235 TIMING: 1499400 CPU: 4809.32, 0.00314509/step Wall: 4809.32, 0.00314509/step, 3.05825 hours remaining, 231.164062 MB of memory in use. ENERGY: 1499400 3950.5488 20442.4606 14446.7473 241.5793 -203201.8374 2300.0143 0.0000 0.0000 52259.0261 -109561.4610 300.3333 -161820.4871 -109198.7700 299.3488 -6.1678 20.4065 760521.0240 9.2565 9.3098 PRESSURE: 1499600 379.635 4.02352 89.7723 4.02318 80.2095 -190.48 89.7731 -190.48 -42.9432 GPRESSURE: 1499600 404.795 61.4422 90.2016 -108.62 135.494 -218.027 -13.6806 -221.811 -34.4994 PRESSAVG: 1499600 -23.9211 -13.9336 14.2834 -13.9336 6.01988 -4.27191 14.2833 -4.27187 9.2369 GPRESSAVG: 1499600 -24.1021 -13.7459 15.5105 -13.7825 5.05583 -5.48591 12.589 -3.86363 10.3069 TIMING: 1499600 CPU: 4809.95, 0.00314174/step Wall: 4809.95, 0.00314174/step, 3.05481 hours remaining, 231.164062 MB of memory in use. ENERGY: 1499600 3975.4561 20432.2167 14510.2745 258.7041 -203281.5046 2481.7027 0.0000 0.0000 52271.2476 -109351.9029 300.4036 -161623.1505 -108987.6112 299.6936 138.9670 168.5965 761562.3808 -2.8881 -2.9131 PRESSURE: 1499800 87.7857 5.27943 -236.82 5.27989 137.131 98.8923 -236.82 98.8916 66.437 GPRESSURE: 1499800 87.9109 -5.66975 -171.653 -46.6529 229.84 42.3223 -283.631 137.421 47.2156 PRESSAVG: 1499800 -3.24924 -21.3973 -26.2886 -21.3973 20.9488 4.93814 -26.2886 4.93819 0.701777 GPRESSAVG: 1499800 -3.35048 -21.486 -26.4822 -24.7666 19.6933 7.41073 -25.0767 4.0075 2.07414 TIMING: 1499800 CPU: 4810.58, 0.00316126/step Wall: 4810.58, 0.00316126/step, 3.07362 hours remaining, 231.164062 MB of memory in use. ENERGY: 1499800 3987.7905 20431.3816 14488.6293 233.7899 -203197.2962 2634.9794 0.0000 0.0000 52276.6773 -109144.0483 300.4348 -161420.7256 -108787.6299 300.1476 97.1180 121.6556 760304.7743 6.1338 6.1390 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500000 -225.043 22.645 36.4622 22.6447 -198.428 0.59455 36.4612 0.594284 99.155 GPRESSURE: 1500000 -216.91 210.848 -22.2554 -3.25178 -137.778 -30.5559 81.32 -54.2249 109.908 PRESSAVG: 1500000 -10.5098 -28.75 -28.2556 -28.7501 10.6401 -32.1516 -28.2556 -32.1516 -9.197 GPRESSAVG: 1500000 -10.4483 -27.0722 -28.0953 -27.9695 11.7667 -34.2871 -29.4894 -30.4179 -10.3728 TIMING: 1500000 CPU: 4811.23, 0.00325467/step Wall: 4811.23, 0.00325467/step, 3.16426 hours remaining, 231.164062 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: 1500000 3955.8467 20394.5343 14449.8311 234.7098 -202669.9434 2286.3349 0.0000 0.0000 52227.1297 -109121.5569 300.1500 -161348.6867 -108760.6435 299.8501 -108.1053 -81.5934 761335.8418 -3.0222 -3.0182 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 PRESSURE: 1500200 -203.364 -254.42 278.758 -254.421 26.6594 205.147 278.758 205.148 -362.824 GPRESSURE: 1500200 -166.665 -277.297 260.391 -80.6167 49.0008 162.874 247.713 234.599 -325.428 PRESSAVG: 1500200 -33.2913 4.77624 -4.12439 4.77628 0.875484 -16.7047 -4.12432 -16.7047 -6.8788 GPRESSAVG: 1500200 -32.315 1.02459 -3.99784 8.76548 0.581284 -16.1013 -2.96128 -18.8507 -7.56386 TIMING: 1500200 CPU: 4811.87, 0.00317595/step Wall: 4811.87, 0.00317595/step, 3.08755 hours remaining, 231.164062 MB of memory in use. ENERGY: 1500200 3952.9235 20556.8764 14513.5795 259.3370 -202579.9679 2082.1883 0.0000 0.0000 52232.7206 -108982.3424 300.1822 -161215.0631 -108625.5091 300.1568 -179.8428 -147.6974 761626.9016 -13.0982 -13.0992 LDB: ============= START OF LOAD BALANCING ============== 4824.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4824.29 LDB: =============== DONE WITH MIGRATION ================ 4824.29 LDB: ============= START OF LOAD BALANCING ============== 4824.61 LDB: Largest compute 7073 load 0.033210 is 17.0% of average load 0.195343 LDB: Average compute 0.004397 is 2.3% of average load 0.195343 LDB: TIME 4824.61 LOAD: AVG 0.195343 MAX 0.210002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.801 MB LDB: TIME 4824.61 LOAD: AVG 0.195343 MAX 0.210002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: TIME 4824.61 LOAD: AVG 0.195343 MAX 0.210002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.879 MB LDB: ============== END OF LOAD BALANCING =============== 4824.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4824.62 PRESSURE: 1500400 -272.961 -37.3008 -34.0313 -37.3016 123.884 -179.778 -34.0316 -179.778 216.273 GPRESSURE: 1500400 -197.929 -165.432 -34.8944 -39.9219 120.84 -110.182 -81.3435 -172.719 242.93 PRESSAVG: 1500400 21.5983 -41.5515 19.2605 -41.5515 -27.0121 -0.923368 19.2605 -0.923407 7.41014 GPRESSAVG: 1500400 20.3289 -40.2925 19.7861 -42.9442 -27.3229 -0.112783 19.3602 0.436101 8.86903 TIMING: 1500400 CPU: 4812.51, 0.00322526/step Wall: 4812.51, 0.00322526/step, 3.13532 hours remaining, 232.851562 MB of memory in use. ENERGY: 1500400 3976.5639 20555.2309 14378.1880 227.4413 -202803.6160 2440.2110 0.0000 0.0000 52372.3306 -108853.6504 300.9845 -161225.9809 -108497.4358 300.6560 22.3988 55.2802 760128.8177 0.6654 0.6250 PRESSURE: 1500600 46.1679 -232.82 16.8725 -232.82 -6.69465 48.8938 16.8729 48.8947 20.7302 GPRESSURE: 1500600 33.8084 -155.89 23.389 -124.582 144.45 91.3862 53.9999 -50.8174 -27.1451 PRESSAVG: 1500600 9.50701 -77.9674 -21.1406 -77.9673 22.5898 -65.5897 -21.1406 -65.5897 2.26818 GPRESSAVG: 1500600 8.854 -75.9864 -21.8919 -78.5476 23.1833 -64.9252 -21.3889 -65.5808 2.24233 TIMING: 1500600 CPU: 4813.15, 0.00320169/step Wall: 4813.15, 0.00320169/step, 3.11222 hours remaining, 232.851562 MB of memory in use. ENERGY: 1500600 4031.5430 20446.8696 14414.1490 250.4207 -203081.4711 2556.3834 0.0000 0.0000 52357.0254 -109025.0800 300.8965 -161382.1054 -108647.6967 300.4412 20.0678 50.3712 760962.3821 11.4550 11.4265 PRESSURE: 1500800 70.0537 -206 -119.957 -206 167.178 -22.2831 -119.957 -22.2832 326.773 GPRESSURE: 1500800 90.6951 -60.1461 -134.25 -242.945 158.019 -94.9198 -74.2674 -14.362 402.975 PRESSAVG: 1500800 29.7419 -76.476 -56.3029 -76.4761 0.498349 -54.7427 -56.303 -54.7428 2.34769 GPRESSAVG: 1500800 29.9491 -77.4506 -54.2681 -77.4018 0.29696 -55.406 -57.2248 -54.9802 2.2871 TIMING: 1500800 CPU: 4813.8, 0.00321707/step Wall: 4813.8, 0.00321707/step, 3.127 hours remaining, 232.851562 MB of memory in use. ENERGY: 1500800 4007.7606 20458.5241 14444.5270 255.5621 -203133.1628 2430.6573 0.0000 0.0000 52298.5686 -109237.5630 300.5606 -161536.1316 -108872.7267 300.2301 188.0013 217.2296 759041.5083 10.8626 10.8444 PRESSURE: 1501000 41.1515 69.6555 -114.963 69.6546 80.1469 -160.024 -114.962 -160.024 -378.393 GPRESSURE: 1501000 125.534 68.0714 -103.307 13.8427 157.573 -125.195 -33.8763 -84.3031 -459.209 PRESSAVG: 1501000 20.3076 -0.782312 12.8566 -0.782299 -24.1204 -12.1669 12.8566 -12.1668 21.3692 GPRESSAVG: 1501000 22.3885 -2.33816 11.2932 0.839479 -25.6906 -12.8279 13.7299 -12.0524 20.7428 TIMING: 1501000 CPU: 4814.44, 0.00320263/step Wall: 4814.44, 0.00320263/step, 3.11277 hours remaining, 232.851562 MB of memory in use. ENERGY: 1501000 4085.0001 20410.2919 14389.6863 238.5014 -203200.7501 2544.0400 0.0000 0.0000 52436.2491 -109096.9813 301.3518 -161533.2304 -108727.3485 299.9640 -85.6983 -58.7006 759457.8029 5.8521 5.8136 PRESSURE: 1501200 36.0562 -47.509 109.196 -47.5092 -151.107 60.1915 109.197 60.1928 193.479 GPRESSURE: 1501200 42.0879 -29.5779 16.0215 -5.94336 -81.9068 57.8413 197.296 30.9292 206.911 PRESSAVG: 1501200 5.89486 -41.5807 28.9017 -41.5807 -2.47513 19.7927 28.9018 19.7927 8.11535 GPRESSAVG: 1501200 5.50155 -42.3829 27.839 -40.6824 -1.33505 21.7346 30.7945 16.6632 7.7463 TIMING: 1501200 CPU: 4815.07, 0.00317532/step Wall: 4815.07, 0.00317532/step, 3.08606 hours remaining, 232.851562 MB of memory in use. ENERGY: 1501200 4088.5616 20438.3174 14389.4406 245.7995 -203259.8938 2582.6366 0.0000 0.0000 52363.6870 -109151.4511 300.9348 -161515.1381 -108788.7448 300.3961 26.1429 55.6973 760408.5214 3.8450 3.9709 PRESSURE: 1501400 -206.396 19.3424 289.349 19.3419 -403.313 -206.734 289.35 -206.734 -169.417 GPRESSURE: 1501400 -180.295 31.5387 271.393 -49.3311 -348.188 -185.44 219.437 -0.882993 -154.449 PRESSAVG: 1501400 38.5488 -18.0663 -8.98846 -18.0664 -16.053 -9.2908 -8.98848 -9.2909 -17.8162 GPRESSAVG: 1501400 38.1059 -15.4315 -7.69676 -21.6518 -16.0403 -12.6285 -9.7615 -4.14807 -17.2406 TIMING: 1501400 CPU: 4815.7, 0.00316447/step Wall: 4815.7, 0.00316448/step, 3.07534 hours remaining, 232.851562 MB of memory in use. ENERGY: 1501400 4069.6039 20504.7567 14428.4943 242.8557 -203032.9027 2381.8664 0.0000 0.0000 52153.3509 -109251.9748 299.7260 -161405.3256 -108894.9267 300.2309 -259.7089 -227.6437 763095.9983 1.5599 1.6084 PRESSURE: 1501600 -248.827 -18.8199 -151.913 -18.8189 237.338 28.5512 -151.914 28.5511 147.836 GPRESSURE: 1501600 -182.229 -82.5937 -138.12 -9.21714 247.618 -15.3689 -111.558 -73.9307 164.679 PRESSAVG: 1501600 19.5995 -27.2669 18.9733 -27.2669 -50.87 11.6803 18.9733 11.6803 -44.1615 GPRESSAVG: 1501600 19.4717 -27.1874 19.0604 -26.125 -51.2148 13.3805 18.3087 8.90543 -43.937 TIMING: 1501600 CPU: 4816.34, 0.00316171/step Wall: 4816.34, 0.00316171/step, 3.07248 hours remaining, 232.851562 MB of memory in use. ENERGY: 1501600 4013.6504 20694.5247 14484.2349 242.6906 -203104.5423 2530.0584 0.0000 0.0000 51978.7460 -109160.6372 298.7226 -161139.3832 -108810.9234 300.0156 45.4491 76.6893 763913.1355 -25.1440 -25.2267 PRESSURE: 1501800 -79.8378 53.0494 77.3184 53.0491 -43.231 63.1893 77.3187 63.1898 -2.35267 GPRESSURE: 1501800 -2.99736 21.3802 17.038 73.9185 -48.995 201.086 258.789 21.8786 30.4633 PRESSAVG: 1501800 -40.2747 -68.4695 -17.2249 -68.4695 -47.0528 -5.63919 -17.2249 -5.63923 1.86179 GPRESSAVG: 1501800 -40.3934 -67.8364 -17.9981 -67.3671 -47.3154 -6.81673 -16.2487 -3.68731 1.48212 TIMING: 1501800 CPU: 4816.97, 0.00314101/step Wall: 4816.97, 0.00314101/step, 3.05219 hours remaining, 232.851562 MB of memory in use. ENERGY: 1501800 4020.9958 20581.0880 14428.0080 233.1489 -203069.4376 2512.8041 0.0000 0.0000 52005.8110 -109287.5817 298.8781 -161293.3927 -108929.7035 299.9357 -41.8072 -7.1763 761541.3811 -28.4886 -28.7423 PRESSURE: 1502000 -63.7725 -37.7422 60.7857 -37.7422 -44.0248 17.0744 60.7843 17.0731 -165.686 GPRESSURE: 1502000 -13.4496 -215.723 4.13171 -67.6174 -33.2721 -23.4155 135.796 152.942 -157.893 PRESSAVG: 1502000 29.4785 -47.4366 17.3905 -47.4365 -4.68054 -39.6148 17.3905 -39.6148 22.7011 GPRESSAVG: 1502000 29.7462 -50.6885 18.1622 -47.7227 -5.58377 -39.4462 17.0665 -40.8176 23.2815 TIMING: 1502000 CPU: 4817.6, 0.00316603/step Wall: 4817.6, 0.00316603/step, 3.07632 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1502000 3955.0264 20401.5225 14463.0334 251.1516 -203030.9941 2427.9519 0.0000 0.0000 52166.6880 -109365.6204 299.8027 -161532.3084 -108996.2311 299.9459 -91.1611 -68.2050 761782.5552 15.8330 15.8146 PRESSURE: 1502200 109.338 76.5954 67.7892 76.5951 -162.831 -240.873 67.7898 -240.872 238.939 GPRESSURE: 1502200 201.805 86.9109 17.5736 229.965 -155.162 -284.78 71.8362 -297.692 236.125 PRESSAVG: 1502200 44.5503 -87.9186 39.1508 -87.9186 -18.2633 -56.9587 39.1508 -56.9586 -7.57413 GPRESSAVG: 1502200 44.1923 -84.0398 38.2802 -89.6028 -16.7613 -57.0205 39.004 -59.5094 -7.48027 TIMING: 1502200 CPU: 4818.23, 0.00316807/step Wall: 4818.23, 0.00316807/step, 3.07813 hours remaining, 232.851562 MB of memory in use. ENERGY: 1502200 3976.3862 20596.4551 14523.6122 253.4594 -203340.7286 2344.4184 0.0000 0.0000 52051.3487 -109595.0486 299.1398 -161646.3973 -109226.5495 299.5240 61.8151 94.2562 760442.2348 6.2376 6.6503 PRESSURE: 1502400 -20.7493 165.821 -20.2967 165.821 -128.753 73.6842 -20.2959 73.6845 -273.651 GPRESSURE: 1502400 -71.1779 139.242 -91.8782 56.6618 -16.091 63.0184 155.836 63.9101 -275.25 PRESSAVG: 1502400 28.6087 -90.0229 34.7074 -90.0228 13.0488 -36.2767 34.7074 -36.2766 -8.68738 GPRESSAVG: 1502400 28.402 -92.6694 34.7537 -87.5246 13.7352 -37.9797 35.2509 -33.4353 -9.55924 TIMING: 1502400 CPU: 4818.86, 0.00315125/step Wall: 4818.86, 0.00315125/step, 3.06162 hours remaining, 232.851562 MB of memory in use. ENERGY: 1502400 3911.3566 20561.4337 14459.1800 241.8963 -203077.7764 2184.7528 0.0000 0.0000 52184.1074 -109535.0495 299.9028 -161719.1569 -109164.2422 299.6825 -141.0510 -120.8395 761829.8061 10.9900 10.8593 PRESSURE: 1502600 -273.326 -54.6837 -104.696 -54.6837 -216.529 82.4222 -104.695 82.4229 -122.27 GPRESSURE: 1502600 -157.037 -6.50192 -18.733 -51.2928 -168.176 77.4396 47.9442 50.2943 -197.377 PRESSAVG: 1502600 -45.6417 -21.4983 16.7443 -21.4983 29.7767 -16.5451 16.7443 -16.5451 -13.2807 GPRESSAVG: 1502600 -44.0715 -19.2823 16.9448 -23.8937 29.0439 -15.8277 16.3001 -17.4086 -13.9761 TIMING: 1502600 CPU: 4819.49, 0.00315684/step Wall: 4819.49, 0.00315684/step, 3.06687 hours remaining, 232.851562 MB of memory in use. ENERGY: 1502600 3964.7205 20363.8013 14510.1439 244.4150 -203686.8121 2774.0921 0.0000 0.0000 52341.1902 -109488.4492 300.8055 -161829.6395 -109133.7838 299.2861 -204.0415 -174.1966 760738.2854 -9.7152 -9.6679 PRESSURE: 1502800 12.8672 81.0964 68.5507 81.0966 -235.636 63.9531 68.5505 63.9513 620.361 GPRESSURE: 1502800 44.1344 68.7318 16.166 95.0028 -248.082 110.847 1.5791 -24.1016 688.112 PRESSAVG: 1502800 24.7029 -17.6495 10.5929 -17.6496 11.8438 52.7395 10.5929 52.7395 -22.5035 GPRESSAVG: 1502800 24.4765 -19.4879 11.2068 -14.0561 12.2497 54.531 9.67067 52.2293 -22.471 TIMING: 1502800 CPU: 4820.13, 0.00317477/step Wall: 4820.13, 0.00317477/step, 3.08412 hours remaining, 232.851562 MB of memory in use. ENERGY: 1502800 4059.8341 20544.9515 14492.2758 234.3594 -203212.4774 2435.7818 0.0000 0.0000 52223.6537 -109221.6212 300.1301 -161445.2749 -108855.2973 299.8737 132.5307 161.3881 762101.5859 4.6811 4.7517 PRESSURE: 1503000 197.273 113.798 32.4977 113.799 -298.401 -37.2518 32.4971 -37.2521 -215.349 GPRESSURE: 1503000 109.786 52.6401 56.8072 145.524 -176.297 72.9286 100.618 34.5115 -154.434 PRESSAVG: 1503000 -82.2128 -6.63244 42.1595 -6.6324 59.8837 21.481 42.1595 21.481 -1.66153 GPRESSAVG: 1503000 -82.682 -7.07547 41.1677 -10.0493 59.4573 21.8331 44.2531 19.5805 -1.17675 TIMING: 1503000 CPU: 4820.76, 0.00313969/step Wall: 4820.76, 0.00313969/step, 3.04986 hours remaining, 232.851562 MB of memory in use. ENERGY: 1503000 3978.5636 20678.4113 14468.2345 244.6125 -203323.5674 2526.7791 0.0000 0.0000 52215.8739 -109211.0926 300.0853 -161426.9665 -108844.7301 300.4948 -105.4923 -73.6482 760313.6391 -7.9969 -8.1338 PRESSURE: 1503200 -320.129 134.374 -146.384 134.375 -317.84 -0.901875 -146.383 -0.902747 17.3711 GPRESSURE: 1503200 -338.984 78.1406 -202.563 116.093 -206.435 58.1351 -248.579 -83.5383 17.4884 PRESSAVG: 1503200 0.598547 -34.3955 15.0903 -34.3955 18.0903 -12.9058 15.0903 -12.9059 11.9186 GPRESSAVG: 1503200 0.098135 -33.8237 16.5733 -32.9321 19.055 -14.627 14.569 -8.51183 11.0245 TIMING: 1503200 CPU: 4821.39, 0.00316969/step Wall: 4821.39, 0.00316969/step, 3.07882 hours remaining, 232.851562 MB of memory in use. ENERGY: 1503200 4022.4572 20725.3769 14433.4632 230.6582 -203169.2438 2242.5793 0.0000 0.0000 52115.6560 -109399.0529 299.5094 -161514.7089 -109035.8987 299.9518 -206.8658 -175.9769 761054.0700 10.2025 10.0592 PRESSURE: 1503400 -103.853 9.62752 261.455 9.6282 -131.992 42.2708 261.454 42.2709 -286.466 GPRESSURE: 1503400 -45.2923 54.4838 228.005 117.135 -110.658 83.8866 100.825 -23.7511 -267.144 PRESSAVG: 1503400 18.4042 -21.9518 -53.9993 -21.9517 -8.1083 60.8961 -53.9993 60.8961 16.4916 GPRESSAVG: 1503400 17.8224 -20.9459 -55.0207 -21.6353 -8.57699 61.6844 -54.7341 59.5904 17.892 TIMING: 1503400 CPU: 4822.02, 0.00317169/step Wall: 4822.02, 0.00317169/step, 3.08059 hours remaining, 232.851562 MB of memory in use. ENERGY: 1503400 4084.0545 20453.3996 14450.5845 256.3059 -202720.1931 2092.0437 0.0000 0.0000 51915.4323 -109468.3727 298.3587 -161383.8049 -109105.8536 299.5323 -174.1040 -141.0315 760370.7976 8.9292 9.0458 PRESSURE: 1503600 137.673 -41.0056 -249.491 -41.0055 185.346 -169.367 -249.49 -169.366 43.4576 GPRESSURE: 1503600 153.157 65.1719 -280.639 -76.0048 234.976 -180.777 -177.303 -287.285 47.5564 PRESSAVG: 1503600 0.525909 29.6403 -46.0381 29.6403 -14.3855 4.83048 -46.0381 4.83049 -0.702525 GPRESSAVG: 1503600 1.82473 28.1438 -45.7077 28.5552 -13.7874 3.67387 -44.7852 5.07562 -2.22855 TIMING: 1503600 CPU: 4822.67, 0.00321247/step Wall: 4822.67, 0.00321247/step, 3.12002 hours remaining, 232.851562 MB of memory in use. ENERGY: 1503600 4112.4131 20571.3581 14441.0791 231.7502 -203387.0376 2602.9007 0.0000 0.0000 52235.3957 -109192.1407 300.1975 -161427.5364 -108829.1790 299.5273 122.1587 145.2298 760698.7511 -4.8540 -4.7304 PRESSURE: 1503800 -214.571 -102.602 -76.1065 -102.602 62.5443 -131.377 -76.1077 -131.378 -441.787 GPRESSURE: 1503800 -180.542 -127.5 -29.5552 -211.543 69.768 -191.766 -214.369 -38.3019 -378.079 PRESSAVG: 1503800 27.559 -10.9918 22.3322 -10.9918 -17.8378 7.27379 22.3323 7.27376 -21.3139 GPRESSAVG: 1503800 26.7967 -11.0544 20.6628 -11.101 -19.3502 7.3702 21.0299 7.51287 -19.1389 TIMING: 1503800 CPU: 4823.3, 0.00317891/step Wall: 4823.3, 0.00317891/step, 3.08725 hours remaining, 232.851562 MB of memory in use. ENERGY: 1503800 3936.2904 20478.6564 14506.0112 224.7457 -202878.9071 2168.8718 0.0000 0.0000 52237.5910 -109326.7404 300.2102 -161564.3314 -108949.3533 299.9044 -197.9378 -162.9509 761193.9311 -3.8642 -3.8975 PRESSURE: 1504000 314.125 74.457 25.3787 74.4563 255.421 208.369 25.3783 208.37 -123.133 GPRESSURE: 1504000 314.836 142.806 55.8998 -31.3045 294.727 244.856 57.3538 196.899 -82.4218 PRESSAVG: 1504000 -33.2314 -72.3444 35.8672 -72.3444 6.52875 -21.3272 35.8673 -21.3271 -4.08848 GPRESSAVG: 1504000 -32.6375 -71.8455 38.0615 -74.7753 7.7454 -19.6665 33.6522 -21.7005 -5.84747 TIMING: 1504000 CPU: 4823.94, 0.00320044/step Wall: 4823.94, 0.00320044/step, 3.10799 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1504000 3983.3084 20530.8579 14475.0684 234.4120 -203567.5792 2760.9710 0.0000 0.0000 52088.6499 -109494.3117 299.3542 -161582.9616 -109141.2800 299.4465 148.8041 175.7139 759668.4382 -10.2637 -10.2465 PRESSURE: 1504200 -180.5 42.3786 38.4647 42.3788 -108.734 103.647 38.4646 103.647 -225.781 GPRESSURE: 1504200 -151.647 81.721 3.84562 3.54337 -47.9565 114.436 77.6087 -4.6783 -238.821 PRESSAVG: 1504200 -20.2938 -47.5484 26.1636 -47.5484 -1.52496 -4.07201 26.1635 -4.07194 -18.8414 GPRESSAVG: 1504200 -20.6676 -47.4589 26.3235 -45.6945 -2.31733 -6.02932 28.9334 -4.18006 -17.6064 TIMING: 1504200 CPU: 4824.58, 0.00318984/step Wall: 4824.58, 0.00318984/step, 3.09751 hours remaining, 232.851562 MB of memory in use. ENERGY: 1504200 4052.9081 20477.5122 14486.3439 245.8190 -202812.3760 2200.7222 0.0000 0.0000 51768.4896 -109580.5810 297.5142 -161349.0707 -109212.9450 298.7912 -171.6718 -146.1416 761734.1316 -13.5534 -13.5304 LDB: ============= START OF LOAD BALANCING ============== 4837.01 LDB: ============== END OF LOAD BALANCING =============== 4837.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4837.01 LDB: ============= START OF LOAD BALANCING ============== 4837.33 LDB: Largest compute 7024 load 0.034790 is 17.8% of average load 0.195359 LDB: Average compute 0.004405 is 2.3% of average load 0.195359 LDB: TIME 4837.33 LOAD: AVG 0.195359 MAX 0.211348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.676 MB LDB: TIME 4837.33 LOAD: AVG 0.195359 MAX 0.211348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.746 MB LDB: TIME 4837.33 LOAD: AVG 0.195359 MAX 0.211348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.746 MB LDB: ============== END OF LOAD BALANCING =============== 4837.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4837.34 PRESSURE: 1504400 -500.149 -109.715 194.291 -109.715 -320.147 -347.286 194.291 -347.286 418.237 GPRESSURE: 1504400 -531.387 7.19718 212.135 -10.607 -240.892 -337.829 159.818 -229.543 472.863 PRESSAVG: 1504400 -17.4539 -60.5862 10.9468 -60.5863 -19.4559 -44.4372 10.9467 -44.4372 3.98749 GPRESSAVG: 1504400 -17.86 -60.9837 11.0104 -57.972 -18.9961 -44.0807 9.74878 -43.9253 3.88591 TIMING: 1504400 CPU: 4825.23, 0.00326101/step Wall: 4825.23, 0.00326101/step, 3.16644 hours remaining, 230.656250 MB of memory in use. ENERGY: 1504400 3989.4072 20299.8536 14447.5752 254.2564 -203286.9918 2424.6584 0.0000 0.0000 52268.6043 -109602.6367 300.3884 -161871.2410 -109229.8562 299.3957 -134.0195 -99.8055 762132.3044 -10.9741 -10.9900 PRESSURE: 1504600 -23.4423 121.415 -24.0723 121.416 -53.7497 152.833 -24.0728 152.833 342.354 GPRESSURE: 1504600 66.4564 78.6117 -23.3852 54.5159 -45.3563 157.011 21.6121 136.918 333.788 PRESSAVG: 1504600 86.9654 -11.5394 20.7924 -11.5393 -38.0503 -52.0166 20.7924 -52.0166 -3.60961 GPRESSAVG: 1504600 87.6475 -10.8962 20.5019 -13.2995 -38.7875 -50.283 20.5253 -52.9012 -4.11268 TIMING: 1504600 CPU: 4825.87, 0.00318376/step Wall: 4825.87, 0.00318376/step, 3.09126 hours remaining, 230.851562 MB of memory in use. ENERGY: 1504600 3955.6206 20378.1262 14490.3297 246.1057 -203175.0261 2642.5165 0.0000 0.0000 52122.2865 -109340.0408 299.5475 -161462.3273 -108976.2854 298.9486 88.3875 118.2960 761101.2812 15.1018 14.9158 PRESSURE: 1504800 378.496 115.547 217.372 115.547 441.19 -174.945 217.371 -174.945 -12.8589 GPRESSURE: 1504800 388.269 3.16511 211.21 22.8139 501.697 -127.076 304.894 -185.563 -7.16829 PRESSAVG: 1504800 16.9224 -6.72874 -50.391 -6.72875 20.9789 -13.1217 -50.391 -13.1217 34.7616 GPRESSAVG: 1504800 15.0064 -8.16017 -50.7903 -9.31476 21.4826 -14.0805 -51.6434 -13.3357 35.4487 TIMING: 1504800 CPU: 4826.5, 0.00316396/step Wall: 4826.5, 0.00316396/step, 3.07185 hours remaining, 230.851562 MB of memory in use. ENERGY: 1504800 3999.3759 20327.3091 14500.0088 227.6667 -203066.1154 2497.3032 0.0000 0.0000 52219.2976 -109295.1541 300.1050 -161514.4517 -108931.8690 299.5080 268.9426 294.2659 759342.3026 24.2210 23.9793 PRESSURE: 1505000 160.249 -49.0615 -122.869 -49.0617 -178.15 -106.085 -122.869 -106.086 95.9869 GPRESSURE: 1505000 156.515 43.7065 -212.709 7.38363 -121.418 2.94898 -63.2376 -114.614 131.595 PRESSAVG: 1505000 1.49252 1.48834 -60.6083 1.48833 -43.5279 12.2327 -60.6083 12.2327 -27.1998 GPRESSAVG: 1505000 1.76889 1.07201 -59.8571 3.32581 -43.3943 10.9169 -58.4192 14.7587 -27.5173 TIMING: 1505000 CPU: 4827.13, 0.00315301/step Wall: 4827.13, 0.00315301/step, 3.06104 hours remaining, 230.851562 MB of memory in use. ENERGY: 1505000 3942.6385 20458.2949 14463.1265 240.9463 -202781.9070 2275.0888 0.0000 0.0000 52096.3324 -109305.4795 299.3983 -161401.8119 -108943.0537 299.2646 26.0286 55.5638 759979.3186 -23.0784 -23.0476 PRESSURE: 1505200 -159.635 -246.065 134.091 -246.064 -29.806 27.0485 134.091 27.0481 286.4 GPRESSURE: 1505200 -12.2406 -144.529 151.748 -336.439 -36.2905 -31.7954 186.634 -31.7264 253.96 PRESSAVG: 1505200 -14.955 -34.29 -17.6346 -34.29 9.41621 -49.2447 -17.6346 -49.2446 44.8183 GPRESSAVG: 1505200 -14.3471 -31.8719 -18.9552 -33.63 7.89103 -48.4625 -16.6879 -51.731 45.3019 TIMING: 1505200 CPU: 4827.76, 0.00314939/step Wall: 4827.76, 0.00314939/step, 3.05736 hours remaining, 230.851562 MB of memory in use. ENERGY: 1505200 3978.7135 20511.4359 14497.3988 238.5287 -203033.8705 2466.3125 0.0000 0.0000 51878.9723 -109462.5088 298.1492 -161341.4811 -109103.0097 299.7513 32.3195 68.4762 759709.4777 13.0932 12.9486 PRESSURE: 1505400 -279.694 -81.5829 31.9295 -81.5828 -326.23 220.04 31.93 220.04 40.3955 GPRESSURE: 1505400 -298.812 -73.448 -26.844 2.41582 -321.477 165.383 9.5123 185.387 133.887 PRESSAVG: 1505400 -24.4164 -80.7056 -19.5505 -80.7056 -14.406 -19.5579 -19.5504 -19.5579 16.9925 GPRESSAVG: 1505400 -24.2604 -81.0368 -18.6628 -80.9486 -13.7508 -18.8969 -21.8441 -18.3601 16.0707 TIMING: 1505400 CPU: 4828.4, 0.00316471/step Wall: 4828.4, 0.00316471/step, 3.07206 hours remaining, 230.851562 MB of memory in use. ENERGY: 1505400 3971.7304 20558.2433 14463.3647 238.3516 -203320.9307 2417.6622 0.0000 0.0000 51904.6842 -109766.8943 298.2969 -161671.5785 -109418.4311 299.3081 -188.5094 -162.1340 761069.1894 -7.2766 -7.3135 PRESSURE: 1505600 22.6611 59.2197 -23.5753 59.2203 -23.3689 -51.7959 -23.5764 -51.7968 -259.544 GPRESSURE: 1505600 -36.8541 -40.6365 15.4209 85.1204 7.83076 -73.3112 -104.115 16.9795 -158.797 PRESSAVG: 1505600 -22.9325 -18.9806 23.6416 -18.9806 5.80607 60.6043 23.6416 60.6042 10.7097 GPRESSAVG: 1505600 -25.0778 -20.7722 24.9289 -17.8708 6.87978 61.3536 22.3694 59.2158 11.6319 TIMING: 1505600 CPU: 4829.03, 0.00316851/step Wall: 4829.03, 0.00316851/step, 3.07557 hours remaining, 230.851562 MB of memory in use. ENERGY: 1505600 3911.8426 20333.3550 14460.0418 235.2753 -203100.4584 2261.8777 0.0000 0.0000 52152.9294 -109745.1366 299.7236 -161898.0659 -109385.6358 298.7479 -86.7505 -62.6068 761663.4166 -2.1389 -2.1887 PRESSURE: 1505800 -189.108 92.4108 -77.5688 92.4112 -133.721 -51.1337 -77.5686 -51.133 -78.5956 GPRESSURE: 1505800 -135.478 168.201 26.1455 54.9637 -107.627 -27.4103 -20.4961 -23.0473 -61.4 PRESSAVG: 1505800 3.4385 -55.3729 -29.9237 -55.3729 -45.1497 51.2204 -29.9236 51.2204 6.25212 GPRESSAVG: 1505800 5.06343 -55.1074 -31.2894 -56.8079 -45.9798 49.5022 -26.0433 52.5129 6.08089 TIMING: 1505800 CPU: 4829.67, 0.00318872/step Wall: 4829.67, 0.00318872/step, 3.09501 hours remaining, 230.851562 MB of memory in use. ENERGY: 1505800 3984.1480 20568.2911 14423.0054 251.3252 -203062.1120 2343.0190 0.0000 0.0000 51720.4075 -109771.9158 297.2379 -161492.3233 -109420.9965 298.8228 -133.8084 -101.5015 760679.3016 -11.8197 -11.6118 PRESSURE: 1506000 -107.351 -29.728 -152.08 -29.7285 30.5389 304.435 -152.08 304.434 98.861 GPRESSURE: 1506000 -126.835 21.1834 -113.576 -31.2897 136.913 235.777 -191.031 125.7 102.048 PRESSAVG: 1506000 81.3123 -24.7085 -50.2527 -24.7086 -62.6306 -59.4349 -50.2527 -59.4349 -0.325953 GPRESSAVG: 1506000 81.411 -22.2623 -51.2325 -26.4014 -62.4517 -59.6153 -52.7897 -59.5441 -0.527608 TIMING: 1506000 CPU: 4830.3, 0.00315802/step Wall: 4830.3, 0.00315802/step, 3.06504 hours remaining, 231.054688 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: 1506000 4002.9872 20558.3539 14411.0304 228.7557 -203202.3747 2280.0420 0.0000 0.0000 51954.4142 -109766.7912 298.5827 -161721.2054 -109408.7144 298.9718 7.3498 37.3751 758987.3742 6.1186 6.1439 PRESSURE: 1506200 -165.441 -105.139 -206.218 -105.138 40.5421 138.912 -206.219 138.913 -148.596 GPRESSURE: 1506200 -37.5516 -186.507 -230.384 -178.249 -47.2742 149.439 -243.484 194.891 -119.186 PRESSAVG: 1506200 10.9787 -27.2192 -55.0014 -27.2193 3.58072 22.5928 -55.0014 22.5928 2.15675 GPRESSAVG: 1506200 11.108 -30.3936 -54.4434 -23.7513 3.29886 23.9207 -53.0015 21.7553 2.65864 TIMING: 1506200 CPU: 4830.93, 0.00313484/step Wall: 4830.93, 0.00313484/step, 3.04237 hours remaining, 231.054688 MB of memory in use. ENERGY: 1506200 4037.2910 20508.6819 14438.8968 250.0393 -203028.3769 2275.7463 0.0000 0.0000 51800.4935 -109717.2280 297.6981 -161517.7215 -109364.8340 299.1024 -91.1650 -68.0040 760750.4913 5.5721 5.6885 PRESSURE: 1506400 -33.6733 -99.9661 -28.4328 -99.9654 136.957 -76.0245 -28.4326 -76.0235 -314.258 GPRESSURE: 1506400 33.5184 -189.574 -167.485 -74.8821 168.257 -122.591 -45.0512 78.0889 -322.325 PRESSAVG: 1506400 -5.20439 -36.8774 -47.4857 -36.8774 -35.687 15.5789 -47.4857 15.5789 -5.9905 GPRESSAVG: 1506400 -5.4279 -34.1809 -48.2523 -40.0644 -34.7085 15.4459 -47.8856 17.1954 -6.70136 TIMING: 1506400 CPU: 4831.56, 0.00316994/step Wall: 4831.56, 0.00316994/step, 3.07625 hours remaining, 231.054688 MB of memory in use. ENERGY: 1506400 3936.3781 20377.8509 14448.3869 239.1475 -203540.0184 2768.0163 0.0000 0.0000 51868.1576 -109902.0812 298.0870 -161770.2388 -109539.3334 298.0673 -70.3248 -40.1833 759940.9694 -15.6273 -15.6126 PRESSURE: 1506600 -289.859 -11.2561 65.0363 -11.2566 -237.035 -35.7503 65.0368 -35.7501 -45.4677 GPRESSURE: 1506600 -179.361 -25.2665 79.7376 -5.39977 -277.274 -131.284 68.3791 4.58916 -20.2231 PRESSAVG: 1506600 39.608 -21.6317 2.45254 -21.6317 4.67629 24.0951 2.4525 24.0952 -14.507 GPRESSAVG: 1506600 40.5184 -21.3871 3.6929 -20.5548 4.09296 23.0199 2.80114 23.8918 -15.0916 TIMING: 1506600 CPU: 4832.2, 0.00317989/step Wall: 4832.2, 0.00317989/step, 3.08573 hours remaining, 231.054688 MB of memory in use. ENERGY: 1506600 4043.0261 20487.1784 14435.8223 270.2944 -203109.9151 2348.6541 0.0000 0.0000 51720.6412 -109804.2987 297.2392 -161524.9399 -109450.3863 298.3693 -190.7872 -158.9528 763036.8810 9.9258 9.8399 PRESSURE: 1506800 -111.479 -0.916831 11.8635 -0.916576 107.061 -64.7464 11.8634 -64.7465 213.869 GPRESSURE: 1506800 -47.0377 0.6821 52.0836 97.3566 104.659 -100.617 27.4069 0.705454 226.444 PRESSAVG: 1506800 45.4115 -56.9921 -37.9564 -56.992 -36.8354 19.3462 -37.9565 19.3462 10.2548 GPRESSAVG: 1506800 44.5413 -57.262 -39.5247 -55.6916 -36.9035 19.862 -35.7681 19.5008 10.7307 TIMING: 1506800 CPU: 4832.83, 0.00314466/step Wall: 4832.83, 0.00314466/step, 3.05136 hours remaining, 231.054688 MB of memory in use. ENERGY: 1506800 4028.6477 20483.1945 14431.4498 252.2269 -203391.3810 2428.0584 0.0000 0.0000 52100.4052 -109667.3985 299.4217 -161767.8037 -109286.0110 298.6565 69.8171 94.6882 760334.3053 6.2770 6.1228 PRESSURE: 1507000 5.22522 17.631 -48.7862 17.6307 31.6566 55.1882 -48.7865 55.1878 152.893 GPRESSURE: 1507000 41.9244 41.2349 -116.979 -5.38103 85.6425 -6.33668 -33.0638 84.3606 163.112 PRESSAVG: 1507000 -1.13142 -18.2529 4.64309 -18.2528 -6.06909 55.8733 4.64312 55.8732 1.2762 GPRESSAVG: 1507000 -1.26186 -19.4678 7.07529 -17.9343 -6.02323 55.6584 1.36 56.0103 1.57473 TIMING: 1507000 CPU: 4833.46, 0.00316812/step Wall: 4833.46, 0.00316812/step, 3.07396 hours remaining, 231.054688 MB of memory in use. ENERGY: 1507000 3958.8829 20607.3530 14487.2272 280.0474 -203611.8711 2621.2130 0.0000 0.0000 52005.0403 -109652.1073 298.8737 -161657.1476 -109289.7424 299.4623 63.2582 96.8931 759900.4119 -1.9748 -1.9035 PRESSURE: 1507200 386.999 20.5588 59.6757 20.5603 -95.3401 -55.6622 59.6749 -55.6621 166.45 GPRESSURE: 1507200 353.433 97.7307 35.5506 13.7547 -24.0778 121.348 -110.482 -91.2349 229.956 PRESSAVG: 1507200 15.9114 -8.91689 16.2211 -8.91691 16.665 19.2313 16.2211 19.2313 -24.1061 GPRESSAVG: 1507200 15.8269 -6.80064 14.8067 -11.9501 16.7686 22.229 17.9956 16.1536 -23.2876 TIMING: 1507200 CPU: 4834.09, 0.00316162/step Wall: 4834.09, 0.00316162/step, 3.06747 hours remaining, 231.054688 MB of memory in use. ENERGY: 1507200 3963.2782 20609.5338 14473.1496 236.4910 -203181.5334 2271.3089 0.0000 0.0000 51965.4728 -109662.2992 298.6463 -161627.7720 -109300.5574 299.2596 152.7029 186.4370 759252.0814 2.8234 3.1026 PRESSURE: 1507400 464.237 -33.4446 -49.9778 -33.4444 127.23 -247.459 -49.9774 -247.46 263.48 GPRESSURE: 1507400 383.91 -139.253 2.48721 -119.69 216.908 -313.831 -39.5463 -226.578 343.61 PRESSAVG: 1507400 25.4109 -42.096 -1.607 -42.096 -51.7721 -32.3187 -1.60701 -32.3187 -9.5509 GPRESSAVG: 1507400 24.6225 -45.6178 0.31936 -39.9822 -50.3647 -33.5116 -1.24902 -30.8133 -9.60211 TIMING: 1507400 CPU: 4834.72, 0.00313931/step Wall: 4834.72, 0.00313931/step, 3.04565 hours remaining, 231.054688 MB of memory in use. ENERGY: 1507400 4019.4546 20510.7658 14498.9780 249.2886 -203622.2618 2848.1790 0.0000 0.0000 51914.1369 -109581.4590 298.3513 -161495.5958 -109221.7744 299.3010 284.9827 314.8097 759881.8494 -11.9707 -11.7814 PRESSURE: 1507600 -79.9252 10.0928 -242.123 10.0925 59.6422 -77.6941 -242.123 -77.6949 -125.854 GPRESSURE: 1507600 -7.70064 -28.2215 -169.034 85.0669 52.6108 -134.447 -243.399 -18.6133 -101.616 PRESSAVG: 1507600 1.02271 -19.2581 -61.6763 -19.2582 33.6745 -24.9829 -61.6764 -24.9829 -1.70669 GPRESSAVG: 1507600 3.37823 -17.545 -62.9893 -19.5429 32.0478 -26.551 -62.6234 -22.161 -2.32383 TIMING: 1507600 CPU: 4835.35, 0.00314894/step Wall: 4835.35, 0.00314894/step, 3.05482 hours remaining, 231.054688 MB of memory in use. ENERGY: 1507600 3977.2268 20561.6307 14505.9284 267.6071 -203091.5493 2161.4540 0.0000 0.0000 52255.1289 -109362.5734 300.3109 -161617.7023 -109002.1490 299.2045 -48.7122 -18.9019 760297.5823 10.9968 11.0341 PRESSURE: 1507800 129.009 -153.887 -313.15 -153.887 126.374 -71.6753 -313.15 -71.675 -346.669 GPRESSURE: 1507800 226.639 -97.5979 -291.3 -228.753 100.631 -10.1584 -259.501 -83.739 -350.631 PRESSAVG: 1507800 -4.39787 -41.9163 -42.7826 -41.9163 -11.212 22.5677 -42.7826 22.5677 -8.78687 GPRESSAVG: 1507800 -3.96836 -41.3624 -42.0856 -41.9172 -12.1293 24.4971 -42.6662 18.9776 -7.94414 TIMING: 1507800 CPU: 4835.98, 0.00315147/step Wall: 4835.98, 0.00315147/step, 3.05711 hours remaining, 231.054688 MB of memory in use. ENERGY: 1507800 3959.8228 20566.0163 14424.3805 237.1852 -203519.0875 2405.5993 0.0000 0.0000 52144.8704 -109781.2130 299.6773 -161926.0834 -109420.4404 299.9995 -30.4287 -7.7869 759803.3990 -8.1322 -8.0139 PRESSURE: 1508000 10.6447 -133.708 148.316 -133.708 -211.232 120.705 148.316 120.705 -36.7747 GPRESSURE: 1508000 100.427 3.55843 146.925 -260.311 -99.4273 75.1228 235.899 17.6933 -126.701 PRESSAVG: 1508000 68.1128 -41.6986 -5.46499 -41.6986 -0.141983 40.5762 -5.46505 40.5762 10.7129 GPRESSAVG: 1508000 67.0905 -42.1988 -5.46238 -43.0184 2.51445 38.6348 -5.61944 40.9553 9.68204 TIMING: 1508000 CPU: 4836.61, 0.00316154/step Wall: 4836.61, 0.00316154/step, 3.0667 hours remaining, 231.054688 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: 1508000 4107.9996 20508.2291 14471.2072 238.5323 -203440.7990 2474.6639 0.0000 0.0000 51995.0538 -109645.1131 298.8163 -161640.1669 -109300.9522 299.4621 -79.1205 -41.9003 760027.4876 26.2279 26.4290 PRESSURE: 1508200 -64.9274 44.7545 22.6274 44.754 -129.062 -80.8488 22.6282 -80.8486 79.3644 GPRESSURE: 1508200 -22.5469 100.986 -9.64453 29.1089 -148.507 -17.4648 -30.1425 -138.663 153.293 PRESSAVG: 1508200 5.17961 -9.85162 26.3772 -9.85158 21.2556 26.854 26.3772 26.854 5.67367 GPRESSAVG: 1508200 5.30717 -11.3772 25.6539 -7.63185 20.4543 27.4269 27.0561 25.504 6.55972 TIMING: 1508200 CPU: 4837.24, 0.00315419/step Wall: 4837.24, 0.00315419/step, 3.05939 hours remaining, 231.054688 MB of memory in use. ENERGY: 1508200 4009.0932 20471.9186 14452.8453 251.8921 -203005.4291 2182.7586 0.0000 0.0000 51873.4934 -109763.4279 298.1177 -161636.9213 -109403.8699 299.4833 -38.2083 -5.9201 759923.0248 10.7030 10.7737 LDB: ============= START OF LOAD BALANCING ============== 4849.66 LDB: ============== END OF LOAD BALANCING =============== 4849.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4849.67 LDB: ============= START OF LOAD BALANCING ============== 4849.98 LDB: Largest compute 7075 load 0.034787 is 17.8% of average load 0.195210 LDB: Average compute 0.004414 is 2.3% of average load 0.195210 LDB: TIME 4849.99 LOAD: AVG 0.19521 MAX 0.211958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.203 MB LDB: TIME 4849.99 LOAD: AVG 0.19521 MAX 0.211958 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.402 MB LDB: TIME 4849.99 LOAD: AVG 0.19521 MAX 0.211958 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.402 MB LDB: ============== END OF LOAD BALANCING =============== 4849.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4849.99 PRESSURE: 1508400 -165.963 152.339 29.3886 152.339 43.244 -80.4253 29.3885 -80.4249 -376.056 GPRESSURE: 1508400 -123.835 134.146 -6.34113 118.239 -13.3173 -32.6904 15.5288 50.299 -284.72 PRESSAVG: 1508400 -23.3551 -15.238 -14.9333 -15.2381 36.7529 -38.6745 -14.9333 -38.6745 -19.8362 GPRESSAVG: 1508400 -24.051 -14.9784 -15.1768 -17.1016 36.4015 -38.633 -15.6214 -36.7209 -18.7248 TIMING: 1508400 CPU: 4837.89, 0.0032246/step Wall: 4837.89, 0.0032246/step, 3.1275 hours remaining, 231.621094 MB of memory in use. ENERGY: 1508400 4050.3750 20370.1587 14408.7271 263.3599 -203362.8385 2468.0535 0.0000 0.0000 52048.1845 -109753.9799 299.1216 -161802.1643 -109386.9793 298.7707 -166.2581 -140.6239 762051.6119 -2.1461 -2.1248 PRESSURE: 1508600 146.687 -279.623 -223.577 -279.624 81.6798 -106.878 -223.577 -106.877 -41.3669 GPRESSURE: 1508600 183.396 -118.866 -300.845 -259.564 94.84 46.4701 -180.274 -89.9442 -4.26629 PRESSAVG: 1508600 -12.77 24.9813 -20.8962 24.9813 -22.3876 -45.6042 -20.8962 -45.6042 0.766987 GPRESSAVG: 1508600 -12.4213 25.2292 -20.4574 26.94 -21.5923 -43.761 -19.6158 -45.6526 -0.0737237 TIMING: 1508600 CPU: 4838.52, 0.00317833/step Wall: 4838.52, 0.00317833/step, 3.08245 hours remaining, 231.824219 MB of memory in use. ENERGY: 1508600 3968.4604 20489.5244 14473.7279 262.4036 -203716.5388 2769.0215 0.0000 0.0000 52017.6581 -109735.7430 298.9462 -161753.4011 -109371.3150 298.4784 62.3333 91.3233 762864.1044 -11.4635 -11.3624 PRESSURE: 1508800 -404.692 7.42334 275.73 7.42264 69.6387 -102.66 275.73 -102.66 -433.04 GPRESSURE: 1508800 -244.921 51.4391 311.943 -118.982 -34.413 -112.709 275.622 -57.3121 -403.086 PRESSAVG: 1508800 -18.1529 -3.89289 -34.3613 -3.89294 42.5609 -12.4668 -34.3613 -12.4668 -25.827 GPRESSAVG: 1508800 -17.4245 -3.45266 -33.412 -6.34034 41.2925 -13.6693 -38.4082 -11.0321 -25.3339 TIMING: 1508800 CPU: 4839.16, 0.0031923/step Wall: 4839.16, 0.0031923/step, 3.09582 hours remaining, 231.824219 MB of memory in use. ENERGY: 1508800 3979.7384 20427.0209 14493.8168 253.5206 -203116.5198 2372.1030 0.0000 0.0000 51926.9622 -109663.3579 298.4250 -161590.3201 -109297.6464 299.0273 -256.0310 -227.4735 762178.6051 -0.4730 -0.4886 PRESSURE: 1509000 -207.53 -43.3434 -157.306 -43.3443 -53.7329 -123.461 -157.306 -123.46 -105.531 GPRESSURE: 1509000 -157.403 -59.249 -89.4625 -48.8587 -9.34328 -141.216 -36.7881 -201.792 -109.455 PRESSAVG: 1509000 -48.6269 -56.807 -69.0277 -56.8071 31.2952 -44.8626 -69.0277 -44.8625 4.68511 GPRESSAVG: 1509000 -49.6919 -54.6702 -68.5449 -57.8541 32.3643 -46.4549 -65.0787 -46.1243 4.24689 TIMING: 1509000 CPU: 4839.8, 0.00318329/step Wall: 4839.8, 0.00318329/step, 3.08691 hours remaining, 231.824219 MB of memory in use. ENERGY: 1509000 4046.4001 20516.2027 14367.5533 235.8537 -203170.8282 2613.1505 0.0000 0.0000 51884.5199 -109507.1479 298.1810 -161391.6678 -109162.0474 299.1378 -122.2649 -92.0671 760141.1289 -4.2155 -4.3602 PRESSURE: 1509200 -266.779 -62.9994 79.9863 -63 25.0918 138.124 79.9854 138.124 -297.679 GPRESSURE: 1509200 -122.716 -90.869 68.4791 -78.6394 46.1721 129.695 -29.311 200.778 -387.644 PRESSAVG: 1509200 25.2719 -37.2367 -40.6973 -37.2368 -28.8989 -7.02189 -40.6973 -7.02185 -9.06698 GPRESSAVG: 1509200 25.1699 -39.6374 -40.6513 -35.549 -29.1725 -7.9554 -44.1342 -5.66268 -8.96316 TIMING: 1509200 CPU: 4840.43, 0.00316009/step Wall: 4840.43, 0.00316009/step, 3.06423 hours remaining, 231.824219 MB of memory in use. ENERGY: 1509200 3985.0046 20355.1293 14547.8599 239.2152 -203301.1791 2391.8810 0.0000 0.0000 52209.0538 -109573.0354 300.0461 -161782.0892 -109209.0849 299.2843 -179.7886 -154.7293 760650.1415 -4.2313 -4.3219 PRESSURE: 1509400 -85.8437 46.2557 -144.337 46.2553 -123.538 140.941 -144.337 140.941 95.0094 GPRESSURE: 1509400 -87.3764 118.704 -120.854 -21.4314 -6.62156 169.947 -43.0198 24.3097 70.9079 PRESSAVG: 1509400 -22.462 -59.984 -58.1267 -59.984 60.2467 30.5561 -58.1267 30.556 17.0927 GPRESSAVG: 1509400 -22.544 -60.9881 -59.3148 -60.8526 60.4267 33.3506 -56.1905 29.1896 16.8395 TIMING: 1509400 CPU: 4841.07, 0.00318499/step Wall: 4841.07, 0.00318499/step, 3.0882 hours remaining, 231.824219 MB of memory in use. ENERGY: 1509400 3942.1059 20483.8537 14496.4178 234.9389 -203398.2860 2258.7017 0.0000 0.0000 52207.8142 -109774.4537 300.0390 -161982.2679 -109412.0293 298.5165 -38.1240 -7.6967 759049.3044 18.2925 18.2407 PRESSURE: 1509600 70.3048 12.5099 -12.8975 12.5106 106.91 -143.778 -12.8983 -143.779 -199.997 GPRESSURE: 1509600 128.421 21.7551 -31.5769 -44.4426 144.169 -184.997 -113.587 -239.989 -207.753 PRESSAVG: 1509600 1.9232 -20.3353 2.82033 -20.3353 -3.70675 53.3407 2.82031 53.3408 -17.7573 GPRESSAVG: 1509600 2.48892 -17.993 3.3819 -21.2031 -3.8195 51.6798 2.1907 51.1759 -17.4801 TIMING: 1509600 CPU: 4841.7, 0.00317869/step Wall: 4841.7, 0.00317869/step, 3.08191 hours remaining, 231.824219 MB of memory in use. ENERGY: 1509600 4065.5469 20436.5230 14423.1147 251.6956 -203390.1627 2527.1238 0.0000 0.0000 52017.7094 -109668.4492 298.9465 -161686.1586 -109309.2057 298.6321 -7.5941 21.6122 759136.1130 -6.5136 -6.2702 PRESSURE: 1509800 23.0261 -204.025 212.822 -204.024 -7.02573 -295.889 212.822 -295.891 -3.47313 GPRESSURE: 1509800 78.5611 -183.005 292.573 -96.0956 34.4638 -267.665 238.661 -198.803 -0.90733 PRESSAVG: 1509800 4.64867 -73.4516 -7.39761 -73.4516 -20.9117 13.1977 -7.3976 13.1977 27.6018 GPRESSAVG: 1509800 5.2006 -75.0677 -7.84377 -71.2368 -22.1172 14.9576 -7.50155 12.8057 28.506 TIMING: 1509800 CPU: 4842.34, 0.00316425/step Wall: 4842.34, 0.00316425/step, 3.06774 hours remaining, 231.824219 MB of memory in use. ENERGY: 1509800 3993.5136 20413.7639 14471.9405 244.4167 -203356.6364 2471.8656 0.0000 0.0000 52146.1801 -109614.9560 299.6848 -161761.1362 -109241.1071 299.3457 4.1758 37.3725 760960.6565 3.7796 3.8632 PRESSURE: 1510000 289.72 39.0656 -105.119 39.0663 -58.985 -157.997 -105.119 -157.997 37.2352 GPRESSURE: 1510000 276.74 -9.463 -50.415 114.64 -19.8989 -96.6233 56.7053 -204.156 104.232 PRESSAVG: 1510000 -50.7802 -46.8568 16.9846 -46.8569 44.8845 -36.8516 16.9845 -36.8516 -8.23675 GPRESSAVG: 1510000 -51.5222 -46.5498 16.9111 -46.8015 46.3439 -37.9136 16.5047 -34.1792 -8.8487 TIMING: 1510000 CPU: 4842.97, 0.00318899/step Wall: 4842.97, 0.00318899/step, 3.09155 hours remaining, 231.824219 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: 1510000 4007.9698 20673.7695 14537.7984 250.4689 -203638.3377 2589.4173 0.0000 0.0000 51984.8342 -109594.0794 298.7576 -161578.9136 -109242.7243 299.2412 89.3234 120.3578 759010.3744 -4.7108 -4.6756 PRESSURE: 1510200 40.593 150.301 27.85 150.301 -64.8268 10.7433 27.8488 10.7436 -254.195 GPRESSURE: 1510200 100.057 -5.05417 27.2363 110.984 -13.1892 22.2064 -86.8675 15.9286 -267.015 PRESSAVG: 1510200 -55.8413 12.1519 20.5082 12.1519 87.883 32.2659 20.5082 32.2659 2.45767 GPRESSAVG: 1510200 -56.8876 11.1767 19.976 12.066 87.8456 32.8159 20.6917 30.2905 3.29908 TIMING: 1510200 CPU: 4843.61, 0.00316466/step Wall: 4843.61, 0.00316466/step, 3.06779 hours remaining, 231.824219 MB of memory in use. ENERGY: 1510200 4015.0948 20485.3492 14537.5088 255.2489 -203585.5603 2391.8350 0.0000 0.0000 52018.3458 -109882.1777 298.9501 -161900.5235 -109516.7907 299.3703 -92.8097 -60.0490 759916.0322 11.4998 11.4190 PRESSURE: 1510400 -97.7152 38.6604 -38.6151 38.6605 261.473 208.023 -38.6151 208.022 -96.2484 GPRESSURE: 1510400 -59.7859 -25.9012 -87.8933 -47.9893 257.821 215.925 -88.1904 112.48 -51.6616 PRESSAVG: 1510400 -28.4017 14.6208 -30.4612 14.6207 34.8902 -6.25379 -30.4612 -6.25384 -5.69352 GPRESSAVG: 1510400 -27.8926 15.4783 -29.4359 13.6244 35.3381 -6.97933 -30.3963 -7.66427 -6.58445 TIMING: 1510400 CPU: 4844.24, 0.0031552/step Wall: 4844.24, 0.0031552/step, 3.05844 hours remaining, 231.824219 MB of memory in use. ENERGY: 1510400 3965.2183 20428.0640 14535.6822 254.9895 -203726.0197 2832.7034 0.0000 0.0000 51800.2224 -109909.1400 297.6966 -161709.3624 -109546.3482 298.9347 22.5030 48.7910 759641.4890 0.2650 0.2870 PRESSURE: 1510600 29.318 64.4231 -62.2342 64.4231 197.152 -201.144 -62.2341 -201.144 173.903 GPRESSURE: 1510600 73.7827 74.2698 -65.7283 63.5762 273.254 -146.028 -31.2616 -239.667 138.012 PRESSAVG: 1510600 -7.13007 1.52639 -21.7956 1.52637 36.9836 9.95997 -21.7956 9.9599 24.5447 GPRESSAVG: 1510600 -6.99008 1.80361 -23.1552 2.6151 36.5675 10.7411 -21.324 12.22 24.7963 TIMING: 1510600 CPU: 4844.87, 0.00317105/step Wall: 4844.87, 0.00317105/step, 3.07363 hours remaining, 231.824219 MB of memory in use. ENERGY: 1510600 3881.8370 20421.4058 14485.7731 253.4782 -203426.1217 2420.8036 0.0000 0.0000 52130.8000 -109832.0240 299.5964 -161962.8240 -109466.8298 298.7280 133.4576 161.6828 759882.2255 18.1327 18.1246 PRESSURE: 1510800 -590.733 -99.1304 -66.1919 -99.1306 159.247 232.147 -66.1917 232.147 -122.835 GPRESSURE: 1510800 -578.14 -56.9903 -68.1803 -200.843 242.388 175.962 -204.562 169.441 -128.874 PRESSAVG: 1510800 -45.4194 14.4524 -46.2325 14.4524 25.4535 35.0088 -46.2325 35.0088 9.21497 GPRESSAVG: 1510800 -45.7633 14.9491 -45.0846 12.0246 25.9384 34.8196 -45.3493 35.7037 9.23144 TIMING: 1510800 CPU: 4845.5, 0.00316279/step Wall: 4845.5, 0.00316279/step, 3.06545 hours remaining, 231.824219 MB of memory in use. ENERGY: 1510800 4021.0410 20390.6696 14482.3453 227.8303 -203165.1474 2139.6134 0.0000 0.0000 52102.3553 -109801.2924 299.4330 -161903.6478 -109429.6292 298.6637 -184.7735 -154.8751 761502.4897 -3.5836 -3.5312 PRESSURE: 1511000 253.055 -8.86313 13.1379 -8.8636 -189.096 184.519 13.138 184.519 121.717 GPRESSURE: 1511000 242.708 -29.2057 64.4772 52.1418 -104.61 66.9071 -19.579 184.772 129.217 PRESSAVG: 1511000 8.82353 -75.9887 -31.6183 -75.9887 7.37684 26.5869 -31.6183 26.5869 0.233837 GPRESSAVG: 1511000 9.33922 -76.0297 -32.0283 -74.0923 7.07963 25.9685 -31.9717 26.1012 -0.37008 TIMING: 1511000 CPU: 4846.13, 0.00313752/step Wall: 4846.13, 0.00313752/step, 3.04078 hours remaining, 231.824219 MB of memory in use. ENERGY: 1511000 3986.6079 20553.5697 14467.4278 259.4804 -203439.0428 2585.7236 0.0000 0.0000 51792.3755 -109793.8579 297.6515 -161586.2334 -109430.2024 298.4171 61.8920 89.1050 759588.5570 5.4781 5.3496 PRESSURE: 1511200 -42.7515 -30.5996 -79.6198 -30.6 -279.231 115.858 -79.6201 115.86 163.54 GPRESSURE: 1511200 -10.9463 -94.3956 -123.901 -87.2524 -211.61 108.208 -75.8592 120.852 151.669 PRESSAVG: 1511200 16.6684 -51.2636 -28.5138 -51.2637 -6.70276 45.1114 -28.5137 45.1115 -1.85517 GPRESSAVG: 1511200 15.6325 -51.4139 -29.2943 -50.8724 -7.5551 43.6907 -29.1386 46.6859 -0.452779 TIMING: 1511200 CPU: 4846.76, 0.0031565/step Wall: 4846.76, 0.0031565/step, 3.059 hours remaining, 231.824219 MB of memory in use. ENERGY: 1511200 3969.0956 20485.5508 14451.3150 269.7217 -203007.6114 2076.7463 0.0000 0.0000 51980.6314 -109774.5506 298.7334 -161755.1820 -109410.2817 298.7569 -52.8144 -23.6290 760632.8851 2.7035 2.5415 PRESSURE: 1511400 -185.423 -204.427 -186.946 -204.427 9.07865 -25.7561 -186.946 -25.7571 -22.5769 GPRESSURE: 1511400 -148.273 -214.948 -143.756 -206.623 42.3315 -40.8282 -22.6838 43.5122 -35.624 PRESSAVG: 1511400 23.1246 14.648 -25.8959 14.6481 -1.04262 -11.3384 -25.8959 -11.3384 -3.74548 GPRESSAVG: 1511400 23.0276 14.5007 -24.2973 13.9951 -0.268966 -9.88061 -25.9449 -12.829 -4.83048 TIMING: 1511400 CPU: 4847.39, 0.00314574/step Wall: 4847.39, 0.00314574/step, 3.0484 hours remaining, 231.824219 MB of memory in use. ENERGY: 1511400 3972.7978 20497.6548 14476.0730 261.3315 -203457.0407 2401.3787 0.0000 0.0000 52132.2734 -109715.5315 299.6049 -161847.8049 -109344.5931 299.1798 -66.3072 -47.1884 760726.0112 6.1122 5.9760 PRESSURE: 1511600 56.1758 -186.656 61.3742 -186.656 -51.8932 -130.076 61.3736 -130.076 35.2688 GPRESSURE: 1511600 116.458 -208.79 15.5496 -173.966 34.7107 -137.524 67.3777 109.8 -0.26258 PRESSAVG: 1511600 10.9004 -64.2651 13.6062 -64.2651 4.11155 35.0296 13.6062 35.0297 -15.2322 GPRESSAVG: 1511600 12.1109 -63.1516 12.8242 -64.839 3.56427 34.5667 13.343 34.3888 -15.5657 TIMING: 1511600 CPU: 4848.02, 0.00315168/step Wall: 4848.02, 0.00315168/step, 3.05398 hours remaining, 231.824219 MB of memory in use. ENERGY: 1511600 3978.2625 20418.6828 14482.3666 256.6786 -203855.5463 2551.1095 0.0000 0.0000 52459.7193 -109708.7269 301.4867 -162168.4462 -109344.1255 299.2739 13.1838 50.3020 758908.8752 -0.0734 0.0365 PRESSURE: 1511800 118.344 91.496 -145.977 91.496 339.086 22.7328 -145.977 22.7337 -8.91522 GPRESSURE: 1511800 167.494 30.6192 -173.812 103.33 270.09 2.97049 -185.484 143.237 106.375 PRESSAVG: 1511800 -2.6998 -83.9235 -31.1772 -83.9235 52.0814 1.29502 -31.1773 1.29507 5.10555 GPRESSAVG: 1511800 -3.78938 -87.3162 -32.9143 -82.7111 53.17 0.899728 -28.6607 4.29077 5.05329 TIMING: 1511800 CPU: 4848.65, 0.00313596/step Wall: 4848.65, 0.00313596/step, 3.03857 hours remaining, 231.824219 MB of memory in use. ENERGY: 1511800 3993.7183 20527.6298 14397.4400 243.0237 -203444.3157 2495.3249 0.0000 0.0000 52073.3257 -109713.8534 299.2661 -161787.1792 -109354.1683 299.4994 149.5052 181.3197 759283.1299 18.1624 18.1446 PRESSURE: 1512000 -313.517 124.996 33.2009 124.996 -58.8437 289.689 33.2014 289.689 407.627 GPRESSURE: 1512000 -125.227 45.1379 -93.1414 23.6623 -37.6315 348.328 100.379 229.134 275.602 PRESSAVG: 1512000 -75.3718 -10.7645 -4.8267 -10.7645 27.8957 30.5435 -4.82668 30.5434 -9.58987 GPRESSAVG: 1512000 -73.8194 -8.93286 -3.65753 -11.0462 27.6757 30.783 -7.00494 27.5413 -11.3106 TIMING: 1512000 CPU: 4849.28, 0.00315134/step Wall: 4849.28, 0.00315134/step, 3.0533 hours remaining, 231.824219 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: 1512000 3961.8091 20493.1004 14501.6433 219.3686 -203000.6487 2305.3864 0.0000 0.0000 51999.0798 -109520.2612 298.8394 -161519.3410 -109161.8223 299.8321 11.7555 37.5812 758897.1569 -19.0220 -19.1514 PRESSURE: 1512200 -331.008 -212.659 -258.018 -212.659 47.0578 17.0758 -258.018 17.0756 -460.962 GPRESSURE: 1512200 -316.089 -311.034 -259.904 -163.857 66.592 -90.1146 -102.518 131.07 -393.889 PRESSAVG: 1512200 -49.8241 -75.5786 -16.737 -75.5785 17.3995 -2.72877 -16.7369 -2.7288 -4.00816 GPRESSAVG: 1512200 -50.8184 -75.2408 -17.2899 -73.5893 17.6287 -2.69475 -13.9858 -0.78421 -3.41473 TIMING: 1512200 CPU: 4849.91, 0.0031446/step Wall: 4849.91, 0.0031446/step, 3.0466 hours remaining, 231.824219 MB of memory in use. ENERGY: 1512200 3944.3950 20569.2209 14481.2077 255.1154 -203000.4402 2169.8140 0.0000 0.0000 52008.7511 -109571.9361 298.8950 -161580.6872 -109214.3220 299.4303 -248.3040 -214.4621 759962.2100 -12.1443 -12.2015 LDB: ============= START OF LOAD BALANCING ============== 4862.33 LDB: ============== END OF LOAD BALANCING =============== 4862.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4862.33 LDB: ============= START OF LOAD BALANCING ============== 4862.64 LDB: Largest compute 7066 load 0.034979 is 17.9% of average load 0.195380 LDB: Average compute 0.004408 is 2.3% of average load 0.195380 LDB: TIME 4862.65 LOAD: AVG 0.19538 MAX 0.211424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.484 MB LDB: TIME 4862.65 LOAD: AVG 0.19538 MAX 0.211424 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.484 MB LDB: TIME 4862.65 LOAD: AVG 0.19538 MAX 0.211424 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.484 MB LDB: ============== END OF LOAD BALANCING =============== 4862.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4862.66 PRESSURE: 1512400 -251.325 14.1876 266.313 14.188 -192.485 -48.2651 266.312 -48.2649 284.134 GPRESSURE: 1512400 -157.845 -24.3524 230.441 38.1519 -211.016 -144.546 235.005 -74.1771 279.696 PRESSAVG: 1512400 45.8521 -50.3641 -13.708 -50.3641 -39.4214 18.3898 -13.7081 18.3897 -4.72584 GPRESSAVG: 1512400 45.8155 -50.969 -12.195 -52.5743 -39.1073 17.7847 -16.3772 17.0404 -4.54597 TIMING: 1512400 CPU: 4850.55, 0.00320345/step Wall: 4850.55, 0.00320345/step, 3.10343 hours remaining, 230.289062 MB of memory in use. ENERGY: 1512400 3935.9555 20546.0073 14472.5631 246.9531 -203097.2048 2170.1461 0.0000 0.0000 52141.5925 -109583.9872 299.6584 -161725.5797 -109215.3657 299.8942 -53.2256 -29.7217 760927.2319 0.5683 0.7207 Info: useSync: 0 useProxySync: 0 PRESSURE: 1512600 310.412 -107.618 -135.402 -107.619 175.38 228.779 -135.402 228.781 219.537 GPRESSURE: 1512600 246.819 -203.781 -63.4419 -69.7783 253.852 279.087 -175.325 99.5092 305.354 PRESSAVG: 1512600 -1.94431 -63.8058 -0.213066 -63.8059 -33.8741 11.176 -0.213071 11.1759 -2.936 GPRESSAVG: 1512600 -1.90568 -62.9245 -1.41192 -62.0623 -33.4219 12.4814 1.23009 10.7364 -2.98118 TIMING: 1512600 CPU: 4851.18, 0.00314393/step Wall: 4851.18, 0.00314393/step, 3.04559 hours remaining, 230.289062 MB of memory in use. ENERGY: 1512600 4001.4272 20567.6910 14480.7263 271.9893 -203564.1594 2436.1008 0.0000 0.0000 52351.8445 -109454.3803 300.8668 -161806.2248 -109096.2667 299.6636 235.1095 268.6748 759759.0157 -12.9181 -12.7696 PRESSURE: 1512800 44.4413 29.2158 -58.5105 29.2158 -184.651 126.594 -58.5108 126.593 -284.534 GPRESSURE: 1512800 73.9493 48.9999 -95.8848 -106.041 -111.836 123.189 -66.5032 83.665 -279.098 PRESSAVG: 1512800 40.6298 -46.8595 -44.6389 -46.8594 -6.94253 -19.6111 -44.6388 -19.6111 4.27999 GPRESSAVG: 1512800 40.6507 -47.1597 -43.2783 -48.9026 -8.571 -20.4299 -45.2744 -21.3925 5.37292 TIMING: 1512800 CPU: 4851.81, 0.00315745/step Wall: 4851.81, 0.00315745/step, 3.05852 hours remaining, 230.289062 MB of memory in use. ENERGY: 1512800 4005.7488 20477.9029 14557.7676 242.7326 -203066.1987 2139.5738 0.0000 0.0000 52122.8345 -109519.6386 299.5506 -161642.4730 -109149.9256 299.9499 -141.5813 -105.6616 760068.0196 12.6558 12.4842 PRESSURE: 1513000 -123.001 35.7731 -22.4733 35.7733 -178.528 -109.005 -22.4749 -109.005 103.669 GPRESSURE: 1513000 -51.4426 118.05 58.7788 53.1265 -141.514 -103.231 37.7068 -12.8161 70.6636 PRESSAVG: 1513000 -9.09682 -35.221 -11.4915 -35.221 -1.54988 28.817 -11.4914 28.817 -17.6966 GPRESSAVG: 1513000 -9.49275 -34.94 -12.4727 -34.9935 0.213616 31.1841 -10.4395 29.6753 -19.3151 TIMING: 1513000 CPU: 4852.44, 0.00316763/step Wall: 4852.44, 0.00316763/step, 3.06821 hours remaining, 230.289062 MB of memory in use. ENERGY: 1513000 3939.1286 20614.6531 14515.6639 235.7238 -202770.0128 2068.8865 0.0000 0.0000 52059.0579 -109336.8990 299.1841 -161395.9569 -108974.5712 300.0031 -65.9534 -40.7642 761176.6784 -9.4478 -9.5314 PRESSURE: 1513200 302.073 -94.2305 -233.621 -94.2299 177.739 -88.6883 -233.621 -88.6887 -158.473 GPRESSURE: 1513200 193.81 -92.9416 -244.52 -78.721 275.091 -24.0981 -152.869 -147.277 -70.0342 PRESSAVG: 1513200 59.1021 -27.1099 -14.5051 -27.1099 -50.4196 -6.99569 -14.5051 -6.99565 0.971242 GPRESSAVG: 1513200 59.5915 -26.1931 -14.091 -28.3987 -51.5023 -9.00939 -17.025 -6.70173 1.65245 TIMING: 1513200 CPU: 4853.08, 0.00317654/step Wall: 4853.08, 0.00317654/step, 3.07666 hours remaining, 230.289062 MB of memory in use. ENERGY: 1513200 4000.4092 20514.1485 14515.0379 239.0521 -203214.0107 2423.2595 0.0000 0.0000 52076.0682 -109446.0353 299.2819 -161522.1035 -109088.5218 299.8447 107.1130 132.9556 760563.4968 3.2179 3.2472 PRESSURE: 1513400 -112.505 62.5878 -268.551 62.5871 15.9129 -71.16 -268.55 -71.1607 255.466 GPRESSURE: 1513400 -154.396 69.5762 -278.709 -49.3788 117.884 -41.4434 -97.3562 -146.962 298.27 PRESSAVG: 1513400 -29.1162 -26.5051 -1.64802 -26.5051 64.281 -60.4396 -1.64797 -60.4395 6.3269 GPRESSAVG: 1513400 -29.1544 -27.5843 -3.19919 -25.7757 65.305 -59.8871 2.3701 -60.493 5.44065 TIMING: 1513400 CPU: 4853.72, 0.0031872/step Wall: 4853.72, 0.0031872/step, 3.08681 hours remaining, 230.289062 MB of memory in use. ENERGY: 1513400 3997.3904 20453.0218 14500.3180 260.7876 -203146.2292 2413.4588 0.0000 0.0000 52083.3522 -109437.9004 299.3237 -161521.2526 -109075.8265 300.0217 52.9580 87.2526 760260.3248 13.8306 13.8638 PRESSURE: 1513600 -312.191 -62.4736 279.748 -62.4739 255.229 -16.3617 279.748 -16.3615 11.0522 GPRESSURE: 1513600 -198.128 -18.9851 357.297 -103.961 229.26 -71.8849 167.579 28.8041 2.09368 PRESSAVG: 1513600 -27.1885 32.8893 -1.87269 32.8893 40.285 -32.6102 -1.87266 -32.6102 15.8652 GPRESSAVG: 1513600 -26.858 32.5246 -0.824403 34.1222 39.865 -34.1067 -2.41147 -33.1905 16.1996 TIMING: 1513600 CPU: 4854.35, 0.00318526/step Wall: 4854.35, 0.00318526/step, 3.08474 hours remaining, 230.289062 MB of memory in use. ENERGY: 1513600 3993.6372 20466.2903 14469.3583 247.6777 -203510.7980 2572.3086 0.0000 0.0000 52271.8805 -109489.6456 300.4072 -161761.5260 -109118.4851 299.4721 -15.3030 11.0754 760905.3754 9.6539 9.7355 PRESSURE: 1513800 -167.961 26.3384 -192.984 26.3387 -503.622 133.213 -192.984 133.213 108.195 GPRESSURE: 1513800 -96.3496 114.879 -285.349 15.9501 -444.14 124.206 -235.491 84.2484 70.1538 PRESSAVG: 1513800 -33.9569 -43.2897 -6.19738 -43.2896 27.9613 56.2338 -6.19741 56.2338 -5.36283 GPRESSAVG: 1513800 -34.553 -42.9719 -7.47879 -43.8387 28.4433 56.9857 -5.52628 56.6705 -4.91797 TIMING: 1513800 CPU: 4854.99, 0.00316414/step Wall: 4854.99, 0.00316414/step, 3.06412 hours remaining, 230.289062 MB of memory in use. ENERGY: 1513800 4072.4664 20543.5751 14518.3706 252.1987 -202955.9296 2277.2062 0.0000 0.0000 51947.6034 -109344.5092 298.5436 -161292.1126 -108994.4189 299.9145 -187.7961 -156.7785 760920.4333 -3.7861 -3.6759 PRESSURE: 1514000 -64.1187 -1.52825 1.80704 -1.52866 -56.3624 -98.1084 1.80846 -98.1084 28.9939 GPRESSURE: 1514000 -80.2175 42.0603 16.0008 -92.0372 -19.3467 -104.245 35.3422 -119.174 97.35 PRESSAVG: 1514000 -41.1539 -37.4532 -31.1978 -37.4531 58.2562 3.29307 -31.1978 3.29309 14.1261 GPRESSAVG: 1514000 -40.0291 -38.6937 -29.7169 -38.0652 57.6306 3.50469 -33.0101 4.03724 13.6682 TIMING: 1514000 CPU: 4855.62, 0.00316883/step Wall: 4855.62, 0.00316883/step, 3.06849 hours remaining, 230.289062 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: 1514000 4112.5424 20494.0147 14493.1211 237.4195 -203182.1352 2511.5784 0.0000 0.0000 51952.0781 -109381.3811 298.5693 -161333.4592 -109024.1346 299.5526 -30.4957 -0.7381 760242.9640 10.4095 10.4233 PRESSURE: 1514200 111.152 -152.418 147.292 -152.418 -68.4343 -309.281 147.292 -309.281 -18.0221 GPRESSURE: 1514200 139.51 -117.068 192.795 -208.675 -5.63825 -203.87 66.6552 -462.816 -5.87718 PRESSAVG: 1514200 1.74895 -25.4111 -22.3071 -25.4111 30.8907 10.4921 -22.3071 10.492 1.14107 GPRESSAVG: 1514200 1.88186 -24.3844 -22.925 -26.1031 31.1496 10.5655 -22.1499 10.0868 0.583961 TIMING: 1514200 CPU: 4856.25, 0.0031549/step Wall: 4856.25, 0.0031549/step, 3.05482 hours remaining, 230.289062 MB of memory in use. ENERGY: 1514200 4020.3581 20564.8081 14462.3510 247.6290 -203404.0783 2809.5385 0.0000 0.0000 51780.4068 -109518.9868 297.5827 -161299.3936 -109157.8280 299.5000 8.2319 42.6650 761186.9872 11.2602 11.2051 PRESSURE: 1514400 -403.34 -115.626 -360.26 -115.625 -116.147 208.737 -360.26 208.736 -289.216 GPRESSURE: 1514400 -375.636 -154.93 -323.897 -16.666 -59.849 212.979 -335.768 246.724 -266.032 PRESSAVG: 1514400 -12.72 -14.4544 -57.4416 -14.4545 5.91216 -0.295436 -57.4417 -0.295575 4.18789 GPRESSAVG: 1514400 -12.8944 -14.8851 -57.6435 -12.6945 4.98087 -1.25626 -56.2593 1.60748 5.19191 TIMING: 1514400 CPU: 4856.88, 0.00316866/step Wall: 4856.88, 0.00316866/step, 3.06797 hours remaining, 230.289062 MB of memory in use. ENERGY: 1514400 3981.7205 20545.5130 14523.3913 254.3724 -203254.8809 2253.8454 0.0000 0.0000 52265.7375 -109430.3008 300.3719 -161696.0383 -109067.9701 299.4996 -269.5677 -233.8390 759918.9737 -0.8733 -0.9072 PRESSURE: 1514600 -3.35992 -128.947 162.857 -128.947 161.314 -92.1769 162.856 -92.1779 -192.608 GPRESSURE: 1514600 -38.7692 -35.3255 192.845 -3.42113 275.096 -66.5017 33.0744 -174.265 -194.375 PRESSAVG: 1514600 -36.8615 6.58146 -1.14173 6.58142 6.79658 -14.7477 -1.14173 -14.7477 -11.735 GPRESSAVG: 1514600 -38.7575 6.55955 0.624857 6.28413 7.36139 -14.0413 -1.75003 -17.5742 -10.3369 TIMING: 1514600 CPU: 4857.51, 0.00314433/step Wall: 4857.51, 0.00314433/step, 3.04424 hours remaining, 230.289062 MB of memory in use. ENERGY: 1514600 3971.9886 20350.9735 14475.3934 233.0926 -203141.3467 2221.8555 0.0000 0.0000 52193.5164 -109694.5268 299.9569 -161888.0431 -109325.8008 299.5016 -11.5510 13.9842 758535.2245 -13.9333 -13.9110 PRESSURE: 1514800 74.7752 59.8577 -78.1009 59.8581 17.7157 -229.742 -78.1011 -229.742 235.932 GPRESSURE: 1514800 97.8496 -87.842 -55.2709 110.341 133.588 -212.121 -89.7649 -276.248 205.689 PRESSAVG: 1514800 -56.2138 -45.4661 14.6674 -45.4661 93.2105 -30.5419 14.6674 -30.542 2.76259 GPRESSAVG: 1514800 -54.7821 -43.2861 12.6114 -45.6792 92.8946 -30.119 14.8225 -30.3803 1.50551 TIMING: 1514800 CPU: 4858.14, 0.00315148/step Wall: 4858.14, 0.00315148/step, 3.05098 hours remaining, 230.359375 MB of memory in use. ENERGY: 1514800 3975.2971 20638.2794 14441.4565 241.2722 -203675.9047 2800.6700 0.0000 0.0000 52151.5085 -109427.4209 299.7154 -161578.9295 -109058.8255 299.5228 109.4741 145.7089 757956.6443 13.2531 13.2060 PRESSURE: 1515000 -10.5776 43.3018 -11.3035 43.3015 -14.1838 81.2444 -11.304 81.2435 83.9626 GPRESSURE: 1515000 -21.33 50.7688 12.7367 20.7513 78.3985 23.7633 131.275 166.66 83.449 PRESSAVG: 1515000 -95.8437 4.09723 -8.3771 4.09725 38.7643 -66.3811 -8.37708 -66.381 -5.96636 GPRESSAVG: 1515000 -96.3436 0.837424 -8.93105 5.69587 39.942 -64.7915 -7.32126 -67.2309 -6.97177 TIMING: 1515000 CPU: 4858.78, 0.00316133/step Wall: 4858.78, 0.00316133/step, 3.06034 hours remaining, 230.359375 MB of memory in use. ENERGY: 1515000 4038.9691 20460.9852 14437.9706 233.4302 -203471.3814 2601.2510 0.0000 0.0000 52363.0325 -109335.7428 300.9311 -161698.7753 -108967.3434 300.0844 19.7337 46.8392 759391.8147 -21.0152 -21.1244 PRESSURE: 1515200 -163.908 -26.8125 80.8214 -26.8123 -113.641 -81.6384 80.8217 -81.6388 -176.52 GPRESSURE: 1515200 -105.337 -62.5612 84.0681 16.5824 -49.2235 -85.9899 10.1456 -51.907 -197.412 PRESSAVG: 1515200 -9.09224 -13.652 48.7035 -13.6521 13.2416 -14.0828 48.7035 -14.0829 5.6391 GPRESSAVG: 1515200 -8.88417 -12.522 48.4794 -13.0901 11.9838 -16.06 48.5222 -11.5278 6.28731 TIMING: 1515200 CPU: 4859.41, 0.00317777/step Wall: 4859.41, 0.00317777/step, 3.07608 hours remaining, 230.359375 MB of memory in use. ENERGY: 1515200 3928.5510 20601.1332 14487.1464 238.0775 -203298.2230 2462.4304 0.0000 0.0000 52311.4391 -109269.4455 300.6346 -161580.8846 -108905.1502 300.1146 -151.3562 -117.3242 759208.1554 3.2628 3.1290 PRESSURE: 1515400 169.326 43.3518 -2.71293 43.3519 -164.776 -201.459 -2.71259 -201.458 43.9116 GPRESSURE: 1515400 210.865 -4.66681 -0.598361 13.5164 -44.9888 -226.843 8.41737 -55.1031 -36.0906 PRESSAVG: 1515400 15.3406 -26.9851 36.4416 -26.9852 -63.3241 -12.9687 36.4416 -12.9687 -16.9167 GPRESSAVG: 1515400 14.6425 -26.2238 37.1752 -30.8708 -61.7641 -12.8972 33.2186 -15.4394 -18.2382 TIMING: 1515400 CPU: 4860.04, 0.00316489/step Wall: 4860.04, 0.00316489/step, 3.06343 hours remaining, 230.359375 MB of memory in use. ENERGY: 1515400 4041.1688 20695.2161 14515.4795 242.2958 -203575.8351 2620.5213 0.0000 0.0000 52030.5201 -109430.6335 299.0201 -161461.1536 -109076.8615 299.9726 16.1537 43.2618 759892.0323 -21.6334 -21.7866 PRESSURE: 1515600 77.5376 -119.372 36.3931 -119.371 11.4747 -40.2678 36.3941 -40.2674 109.307 GPRESSURE: 1515600 114.058 -118.021 133.197 -79.8884 5.57529 -122.728 -125.078 -64.5396 179.131 PRESSAVG: 1515600 59.9868 -77.9566 26.6819 -77.9567 -53.9865 -39.1524 26.6819 -39.1524 17.3126 GPRESSAVG: 1515600 60.4117 -77.1352 27.1584 -76.4362 -56.0984 -39.9499 26.244 -35.7537 18.8771 TIMING: 1515600 CPU: 4860.67, 0.00314292/step Wall: 4860.67, 0.00314292/step, 3.04199 hours remaining, 230.359375 MB of memory in use. ENERGY: 1515600 4003.2240 20348.7546 14396.7696 248.7806 -203342.8764 2468.2148 0.0000 0.0000 52321.2872 -109555.8457 300.6912 -161877.1329 -109187.3482 299.8402 66.1065 99.5883 758735.5143 7.7710 7.7301 PRESSURE: 1515800 -557.715 77.4319 -13.0906 77.4313 -111.462 131.158 -13.0901 131.158 289.245 GPRESSURE: 1515800 -440.426 58.9335 -6.00505 -94.6079 -72.9618 102.671 -184.585 163.807 206.308 PRESSAVG: 1515800 -46.6448 -24.0277 24.9176 -24.0277 74.4975 59.6025 24.9175 59.6025 19.0638 GPRESSAVG: 1515800 -46.3361 -25.8703 23.1026 -23.9112 76.3014 58.6681 25.3831 57.8184 16.3635 TIMING: 1515800 CPU: 4861.3, 0.00315714/step Wall: 4861.3, 0.00315714/step, 3.05559 hours remaining, 230.359375 MB of memory in use. ENERGY: 1515800 3965.3727 20562.0325 14420.2317 237.1356 -202810.2392 2079.1497 0.0000 0.0000 51993.2055 -109553.1115 298.8057 -161546.3170 -109190.8238 299.4676 -126.6437 -102.3599 759814.4553 15.6388 15.4429 PRESSURE: 1516000 -199.086 -223.534 -21.6299 -223.534 -420.302 -12.753 -21.6293 -12.7528 -284.268 GPRESSURE: 1516000 -196.745 -271.834 78.0502 -174.285 -337.113 20.7919 -38.8232 107.368 -279.913 PRESSAVG: 1516000 15.7111 -60.6281 21.158 -60.6281 -27.4095 -29.9156 21.158 -29.9157 2.43741 GPRESSAVG: 1516000 14.9803 -58.3987 23.4053 -59.0629 -29.2683 -28.6274 21.4433 -30.1164 4.44973 TIMING: 1516000 CPU: 4861.94, 0.00316093/step Wall: 4861.94, 0.00316093/step, 3.05907 hours remaining, 230.359375 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: 1516000 4028.8435 20626.1138 14411.9671 240.5230 -203258.7582 2331.8319 0.0000 0.0000 52250.8348 -109368.6441 300.2863 -161619.4789 -109011.7779 299.4232 -301.2186 -271.2571 760592.9560 -3.0870 -3.2794 PRESSURE: 1516200 91.8548 41.8885 140.135 41.888 -106.195 -17.995 140.135 -17.9956 -282.778 GPRESSURE: 1516200 67.4425 9.91398 181.582 23.4936 -15.1262 -2.2679 122.526 -36.1779 -254.335 PRESSAVG: 1516200 95.2386 -65.2456 25.7189 -65.2456 -18.0217 16.1437 25.7188 16.1437 5.34463 GPRESSAVG: 1516200 95.2673 -66.9533 24.6645 -63.7038 -17.2033 15.1429 27.3451 17.5667 5.27389 TIMING: 1516200 CPU: 4862.58, 0.00320254/step Wall: 4862.58, 0.00320254/step, 3.09917 hours remaining, 230.359375 MB of memory in use. ENERGY: 1516200 3943.6355 20516.4025 14431.9301 250.3074 -203301.2582 2605.1656 0.0000 0.0000 52021.4407 -109532.3764 298.9679 -161553.8171 -109168.4119 299.7572 -99.0392 -67.3396 761258.0831 27.5205 27.7793 LDB: ============= START OF LOAD BALANCING ============== 4875 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4875 LDB: =============== DONE WITH MIGRATION ================ 4875 LDB: ============= START OF LOAD BALANCING ============== 4875.32 LDB: Largest compute 7047 load 0.033807 is 17.3% of average load 0.195342 LDB: Average compute 0.004408 is 2.3% of average load 0.195342 LDB: TIME 4875.33 LOAD: AVG 0.195342 MAX 0.209541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 4875.33 LOAD: AVG 0.195342 MAX 0.209541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: TIME 4875.33 LOAD: AVG 0.195342 MAX 0.209541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: ============== END OF LOAD BALANCING =============== 4875.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4875.33 PRESSURE: 1516400 -145.929 -96.9696 -131.571 -96.9699 -400.426 -75.8379 -131.571 -75.8375 -474.613 GPRESSURE: 1516400 -19.5949 -134.924 -164.755 -176.675 -401.38 -74.5003 -160.792 -102.529 -496.374 PRESSAVG: 1516400 -13.7427 -46.7285 -50.284 -46.7285 -38.8417 36.6754 -50.284 36.6754 -21.6999 GPRESSAVG: 1516400 -13.7193 -45.5986 -49.573 -49.7393 -38.9842 37.5779 -51.3722 36.6916 -21.9477 TIMING: 1516400 CPU: 4863.23, 0.00325246/step Wall: 4863.23, 0.00325246/step, 3.1473 hours remaining, 230.800781 MB of memory in use. ENERGY: 1516400 3979.9530 20541.4864 14500.1354 235.9872 -202914.7470 2058.7043 0.0000 0.0000 52004.8115 -109593.6691 298.8724 -161598.4806 -109240.2522 299.3882 -340.3229 -305.7830 761457.7537 -24.7614 -24.8837 PRESSURE: 1516600 -266.67 -48.2082 139.462 -48.2084 -116.848 -104.267 139.462 -104.268 -247.513 GPRESSURE: 1516600 -217.695 -91.3053 138.825 45.8267 -81.2654 -21.6044 106.958 -93.0038 -238.473 PRESSAVG: 1516600 15.6996 -38.0969 -11.0621 -38.0969 1.26195 14.5794 -11.062 14.5793 -14.3808 GPRESSAVG: 1516600 15.3228 -39.8482 -12.7521 -36.1805 1.29981 15.0692 -8.30278 12.7546 -13.9943 TIMING: 1516600 CPU: 4863.86, 0.00317516/step Wall: 4863.86, 0.00317516/step, 3.07232 hours remaining, 231.003906 MB of memory in use. ENERGY: 1516600 4015.3059 20545.9750 14437.6804 242.8600 -203116.2931 2276.9240 0.0000 0.0000 52088.2538 -109509.2939 299.3519 -161597.5477 -109142.9422 299.3947 -210.3436 -179.1445 762350.2519 0.8602 0.8761 PRESSURE: 1516800 450.211 -139.182 142.613 -139.182 -175.329 62.8285 142.613 62.8293 327.639 GPRESSURE: 1516800 445.835 -28.7625 69.9806 -140.463 -80.5861 145.325 58.709 -0.428947 326.76 PRESSAVG: 1516800 24.9869 -27.9926 -6.92744 -27.9926 4.33769 7.58638 -6.92751 7.5863 20.3656 GPRESSAVG: 1516800 24.7743 -26.0299 -6.43112 -29.5363 4.34705 7.02033 -8.46457 9.22748 19.6744 TIMING: 1516800 CPU: 4864.5, 0.00317588/step Wall: 4864.5, 0.00317588/step, 3.07284 hours remaining, 231.074219 MB of memory in use. ENERGY: 1516800 4001.3715 20541.7642 14469.3491 246.2872 -203483.6296 2694.8230 0.0000 0.0000 52157.3564 -109372.6782 299.7490 -161530.0346 -109019.3772 299.6140 200.8401 230.6695 760588.5638 16.5634 16.2653 PRESSURE: 1517000 -59.183 32.7654 3.3731 32.7655 -69.0933 97.7186 3.37359 97.7186 43.7664 GPRESSURE: 1517000 50.7549 112.649 15.7834 43.5887 -54.8615 -29.3201 11.1704 147.286 40.6403 PRESSAVG: 1517000 9.21034 -64.6687 24.042 -64.6687 -6.80451 50.9226 24.042 50.9226 6.13184 GPRESSAVG: 1517000 9.90169 -65.5616 23.8751 -63.1746 -7.75816 50.2196 24.5402 49.0698 6.66957 TIMING: 1517000 CPU: 4865.13, 0.00316863/step Wall: 4865.13, 0.00316863/step, 3.06565 hours remaining, 231.277344 MB of memory in use. ENERGY: 1517000 4044.4169 20544.3459 14447.4104 250.2292 -203840.0449 2746.9894 0.0000 0.0000 52282.7576 -109523.8955 300.4697 -161806.6531 -109161.9556 300.0207 -28.1700 12.1779 760033.5469 2.8459 2.9377 PRESSURE: 1517200 -356.857 -56.3494 78.8462 -56.3497 -189.643 -84.6608 78.8469 -84.6621 192.511 GPRESSURE: 1517200 -314.536 -78.2913 20.7776 17.7479 -120.375 -44.6962 4.90847 -72.3926 166.045 PRESSAVG: 1517200 33.5714 -34.6838 -1.3903 -34.6839 -36.8872 18.4701 -1.3903 18.4701 2.5436 GPRESSAVG: 1517200 34.9373 -34.1688 -0.534173 -35.1436 -37.3712 19.4428 0.686066 18.9871 1.15904 TIMING: 1517200 CPU: 4865.77, 0.0032011/step Wall: 4865.77, 0.0032011/step, 3.09688 hours remaining, 231.277344 MB of memory in use. ENERGY: 1517200 3945.5381 20507.9269 14520.2435 265.7894 -203308.3952 2450.0071 0.0000 0.0000 52057.6035 -109561.2866 299.1758 -161618.8902 -109202.0397 299.1748 -117.9961 -89.6219 760361.4748 -0.2574 -0.4250 PRESSURE: 1517400 91.6072 -47.0767 -76.7366 -47.0777 -90.1938 39.5761 -76.736 39.5756 198.994 GPRESSURE: 1517400 101.787 -109.095 -143.257 -61.5403 -42.1649 11.3782 107.286 8.64689 254.429 PRESSAVG: 1517400 -6.0635 -12.0308 48.5828 -12.0308 -40.5596 19.9325 48.5828 19.9325 0.557848 GPRESSAVG: 1517400 -6.92497 -13.0188 47.9679 -12.5335 -38.2396 20.7623 45.9317 18.8149 -0.163258 TIMING: 1517400 CPU: 4866.41, 0.00319128/step Wall: 4866.41, 0.00319128/step, 3.08721 hours remaining, 231.277344 MB of memory in use. ENERGY: 1517400 3960.4692 20328.6442 14482.8552 246.5270 -203220.0671 2469.8730 0.0000 0.0000 52363.2237 -109368.4749 300.9322 -161731.6986 -109000.8887 299.4657 66.8026 104.6835 759784.6205 -15.3551 -15.1093 PRESSURE: 1517600 96.9556 -56.5756 60.3191 -56.5755 -103.581 127.789 60.3193 127.789 159.401 GPRESSURE: 1517600 109.53 -86.062 77.0024 -80.5667 -62.002 52.6208 -10.7472 164.524 217.205 PRESSAVG: 1517600 81.8307 -42.3921 -6.37074 -42.3921 -39.7963 20.5987 -6.37083 20.5987 -17.4482 GPRESSAVG: 1517600 82.8566 -39.4247 -8.0005 -42.898 -42.143 18.8874 -3.31325 23.1114 -16.2983 TIMING: 1517600 CPU: 4867.04, 0.00314915/step Wall: 4867.04, 0.00314915/step, 3.04628 hours remaining, 231.277344 MB of memory in use. ENERGY: 1517600 3938.2097 20550.3959 14500.9132 253.0329 -203256.8147 2427.1653 0.0000 0.0000 52215.8345 -109371.2631 300.0851 -161587.0976 -109006.7385 299.5158 50.9252 88.2445 760524.0574 8.1954 8.1384 PRESSURE: 1517800 -311.406 28.8967 166.495 28.8963 135.99 39.2725 166.494 39.2726 -372.708 GPRESSURE: 1517800 -229.502 12.9996 91.1357 -26.4673 87.9468 94.5824 164.196 -8.25182 -345.197 PRESSAVG: 1517800 23.4529 -18.9206 13.7768 -18.9207 -16.32 31.1401 13.7768 31.1401 -17.8468 GPRESSAVG: 1517800 22.6081 -19.9986 14.4742 -18.7573 -14.8065 30.1842 11.1877 31.2732 -18.5755 TIMING: 1517800 CPU: 4867.67, 0.00317506/step Wall: 4867.67, 0.00317506/step, 3.07117 hours remaining, 231.277344 MB of memory in use. ENERGY: 1517800 4035.7724 20474.7657 14453.8976 258.5951 -203132.7837 2285.5777 0.0000 0.0000 52268.1489 -109356.0263 300.3858 -161624.1752 -108998.1819 299.8303 -182.7083 -162.2506 759624.5924 -3.5713 -3.5913 PRESSURE: 1518000 -154.025 146.262 -50.2123 146.261 269.689 136.674 -50.2123 136.673 743.694 GPRESSURE: 1518000 -122.211 82.541 -46.9655 124.723 347.984 71.8854 -65.2682 76.7086 737.892 PRESSAVG: 1518000 48.2556 -10.9659 6.80072 -10.9659 -59.0032 33.6401 6.80074 33.6401 16.6412 GPRESSAVG: 1518000 49.9795 -11.6885 5.84068 -10.2215 -60.1987 34.3136 7.68005 31.6885 16.4181 TIMING: 1518000 CPU: 4868.31, 0.00316403/step Wall: 4868.31, 0.00316403/step, 3.06032 hours remaining, 231.277344 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: 1518000 3958.0937 20431.5728 14522.4631 247.2334 -203401.7043 2597.5550 0.0000 0.0000 52256.7075 -109388.0789 300.3200 -161644.7863 -109023.7496 299.7845 286.4525 321.2217 758110.2144 1.9645 2.0663 PRESSURE: 1518200 -233.145 -9.10109 85.2781 -9.1017 -288.892 88.8605 85.2776 88.8596 120.89 GPRESSURE: 1518200 -242.946 -44.9167 124.58 -167.116 -178.008 -34.1383 114.186 68.8048 112.952 PRESSAVG: 1518200 55.3385 30.1095 4.06546 30.1095 -50.6373 -8.12256 4.06532 -8.12253 0.829698 GPRESSAVG: 1518200 52.7986 30.4792 4.92049 28.7777 -50.6202 -8.32154 3.63173 -8.71506 3.09413 TIMING: 1518200 CPU: 4868.94, 0.00314955/step Wall: 4868.94, 0.00314955/step, 3.04614 hours remaining, 231.277344 MB of memory in use. ENERGY: 1518200 4024.3656 20702.0645 14466.4694 234.8489 -203034.6060 2172.6175 0.0000 0.0000 51815.6459 -109618.5943 297.7852 -161434.2402 -109263.9247 299.5124 -133.7158 -102.6675 759372.2487 1.8436 1.7575 PRESSURE: 1518400 140.243 153.107 -28.1328 153.107 -79.136 -29.7595 -28.1322 -29.7594 79.4689 GPRESSURE: 1518400 158.037 58.1437 -72.3698 177.202 -36.0557 -6.69355 63.892 -7.38119 109.39 PRESSAVG: 1518400 -33.6835 -24.0962 38.3472 -24.0961 26.8923 22.3761 38.3472 22.3761 -11.2288 GPRESSAVG: 1518400 -32.827 -23.3935 38.0838 -25.3866 27.7526 23.6126 38.8351 24.9146 -12.4816 TIMING: 1518400 CPU: 4869.57, 0.00316043/step Wall: 4869.57, 0.00316043/step, 3.05649 hours remaining, 231.277344 MB of memory in use. ENERGY: 1518400 4023.0696 20433.3427 14466.8447 234.4552 -203280.4340 2509.0509 0.0000 0.0000 52175.1946 -109438.4764 299.8516 -161613.6710 -109076.3317 299.7855 46.8587 77.1238 759039.2230 -6.0067 -5.8520 PRESSURE: 1518600 394.634 158.891 116.719 158.891 230.861 85.2751 116.718 85.2759 243.634 GPRESSURE: 1518600 408.366 73.0783 83.6357 110.883 286.082 47.8431 148.84 58.1131 255.177 PRESSAVG: 1518600 1.6274 -1.62664 -42.4154 -1.62668 12.2094 -17.0071 -42.4155 -17.0071 10.3544 GPRESSAVG: 1518600 1.11429 -3.85061 -41.4341 0.726967 11.3212 -17.4124 -43.1371 -16.1012 10.9371 TIMING: 1518600 CPU: 4870.2, 0.0031378/step Wall: 4870.2, 0.0031378/step, 3.03442 hours remaining, 231.277344 MB of memory in use. ENERGY: 1518600 3923.1701 20616.4343 14415.0046 244.1184 -203680.3557 2820.8114 0.0000 0.0000 51931.8194 -109728.9974 298.4529 -161660.8169 -109367.4565 299.6896 289.7096 316.5420 759153.7323 8.0637 7.7908 PRESSURE: 1518800 164.603 -8.30085 47.065 -8.30051 -208.574 137.208 47.0648 137.207 -253.455 GPRESSURE: 1518800 137.743 21.0319 79.3861 85.973 -131.901 158.179 -10.4648 19.3967 -219.433 PRESSAVG: 1518800 9.9868 -47.7421 -14.8957 -47.7421 17.7206 22.5652 -14.8957 22.5651 10.8017 GPRESSAVG: 1518800 9.78782 -49.0826 -15.0595 -48.6319 18.1938 22.3133 -14.8224 20.1815 10.1437 TIMING: 1518800 CPU: 4870.83, 0.00316162/step Wall: 4870.83, 0.00316162/step, 3.05729 hours remaining, 231.277344 MB of memory in use. ENERGY: 1518800 3962.4042 20462.9038 14409.1406 250.6451 -203293.1694 2421.0909 0.0000 0.0000 51978.6780 -109808.3067 298.7222 -161786.9847 -109447.5538 299.3081 -99.1420 -71.1972 761286.3227 12.8364 12.7085 PRESSURE: 1519000 142.017 -40.958 -50.6984 -40.9588 -35.4982 82.1808 -50.6985 82.1809 258.085 GPRESSURE: 1519000 110.728 25.588 -11.4823 19.0501 62.6233 -67.1859 -62.7666 115.041 273.795 PRESSAVG: 1519000 39.2893 -38.9392 46.2438 -38.9392 -43.0621 71.8167 46.2438 71.8167 -13.9925 GPRESSAVG: 1519000 38.5533 -37.4195 45.4871 -38.971 -43.3053 72.4388 48.7093 72.1095 -12.8421 TIMING: 1519000 CPU: 4871.46, 0.00315515/step Wall: 4871.46, 0.00315515/step, 3.05085 hours remaining, 231.277344 MB of memory in use. ENERGY: 1519000 4007.7903 20527.7726 14479.5206 240.9088 -203852.2896 2674.5126 0.0000 0.0000 52143.8395 -109777.9452 299.6714 -161921.7847 -109431.0190 299.3033 121.5348 149.0488 760206.6145 -5.9218 -5.8647 PRESSURE: 1519200 141.104 -210.641 -115.746 -210.642 -133.517 74.9428 -115.747 74.9427 -248.918 GPRESSURE: 1519200 154.508 -96.417 -109.409 -131.554 -136.911 159.791 -40.2106 129.937 -156.479 PRESSAVG: 1519200 -5.80713 -37.696 13.5047 -37.6961 -69.367 8.04144 13.5046 8.04147 17.17 GPRESSAVG: 1519200 -5.2007 -36.0942 11.8429 -35.6421 -69.0873 7.42028 10.315 9.17495 16.7314 TIMING: 1519200 CPU: 4872.09, 0.00314422/step Wall: 4872.09, 0.00314422/step, 3.04011 hours remaining, 231.277344 MB of memory in use. ENERGY: 1519200 4035.9688 20505.4965 14470.6091 226.5255 -203152.4652 2335.5097 0.0000 0.0000 51822.6429 -109755.7126 297.8254 -161578.3556 -109406.3051 298.9784 -80.4438 -46.2940 762175.9217 -19.3347 -19.1855 PRESSURE: 1519400 -11.2196 -63.0503 -257.036 -63.0497 -346.501 9.26998 -257.036 9.2694 97.8116 GPRESSURE: 1519400 -4.17661 -116.743 -405.825 -7.54119 -288.737 43.0098 -250.132 20.3913 122.258 PRESSAVG: 1519400 17.8171 -100.333 -55.0114 -100.333 -22.3677 27.8891 -55.0114 27.889 -2.86543 GPRESSAVG: 1519400 18.1244 -101.696 -54.8746 -100.529 -22.4902 28.6315 -54.5531 28.6566 -3.12976 TIMING: 1519400 CPU: 4872.72, 0.00314689/step Wall: 4872.72, 0.00314689/step, 3.04252 hours remaining, 231.277344 MB of memory in use. ENERGY: 1519400 4047.4417 20555.8954 14450.4967 259.9007 -203477.9300 2376.1956 0.0000 0.0000 52021.1335 -109766.8664 298.9662 -161787.9999 -109406.7080 298.6962 -86.6363 -56.8855 761371.4718 -2.4720 -2.4985 PRESSURE: 1519600 128.496 -45.2168 -181.935 -45.2173 328.884 -116.662 -181.935 -116.663 196.999 GPRESSURE: 1519600 125.42 8.9469 -165.841 -31.9293 379.876 24.3693 -156.426 -124.931 238.526 PRESSAVG: 1519600 48.7558 -0.286688 -2.18686 -0.28664 -8.3169 -48.3993 -2.18688 -48.3992 2.30123 GPRESSAVG: 1519600 48.1191 -0.234402 1.27995 -2.0025 -8.42336 -48.3688 -2.57718 -49.7408 2.50342 TIMING: 1519600 CPU: 4873.36, 0.00321176/step Wall: 4873.36, 0.00321176/step, 3.10506 hours remaining, 231.277344 MB of memory in use. ENERGY: 1519600 3987.4851 20412.1092 14469.0854 252.0666 -203582.8868 2640.5959 0.0000 0.0000 52002.6645 -109818.8801 298.8600 -161821.5446 -109458.3910 298.9681 218.1266 247.9406 760470.2448 14.2467 14.0664 PRESSURE: 1519800 143.335 81.3814 89.1662 81.3813 -146.11 199.89 89.1668 199.891 -195.819 GPRESSURE: 1519800 191.148 32.2585 155.913 142.394 -84.5106 148.404 4.05204 195.098 -228.451 PRESSAVG: 1519800 38.0022 -28.5002 8.26891 -28.5002 -20.8685 -21.4962 8.26893 -21.4963 6.40704 GPRESSAVG: 1519800 40.0545 -28.0066 6.13135 -26.4098 -21.3946 -21.3893 8.37801 -22.6658 5.42575 TIMING: 1519800 CPU: 4873.99, 0.00314095/step Wall: 4873.99, 0.00314095/step, 3.03642 hours remaining, 231.277344 MB of memory in use. ENERGY: 1519800 4009.5100 20564.3062 14498.2875 232.9671 -203243.6395 2333.3769 0.0000 0.0000 51866.1014 -109739.0903 298.0752 -161605.1917 -109383.2893 299.0688 -66.1980 -40.6046 759131.8895 7.8469 8.0285 PRESSURE: 1520000 -72.5315 23.8804 -3.91443 23.8801 -380.24 231.928 -3.91503 231.928 -421.76 GPRESSURE: 1520000 -63.0182 58.5756 109.626 -75.8808 -355.242 158.025 -145.398 108.894 -362.224 PRESSAVG: 1520000 -8.31624 -17.8147 28.9552 -17.8146 -15.7623 -27.3553 28.9551 -27.3554 -18.7202 GPRESSAVG: 1520000 -10.2191 -18.4027 28.0349 -20.9782 -14.8251 -25.8345 30.8268 -26.8189 -18.0286 TIMING: 1520000 CPU: 4874.62, 0.00314058/step Wall: 4874.62, 0.00314058/step, 3.0359 hours remaining, 231.277344 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: 1520000 4014.5480 20654.2762 14412.0138 245.5177 -203071.7140 2037.5836 0.0000 0.0000 52075.9264 -109631.8483 299.2811 -161707.7748 -109265.6946 299.3875 -291.5103 -260.1616 759583.9003 -14.2662 -14.3576 PRESSURE: 1520200 -365.482 -57.0345 198.528 -57.0341 398.271 -179.96 198.529 -179.959 169.386 GPRESSURE: 1520200 -235.991 12.7341 161.639 -146.35 328.631 -134.604 296.797 -150.743 209.858 PRESSAVG: 1520200 65.9858 -25.9537 -13.1865 -25.9537 16.7355 -29.4777 -13.1865 -29.4776 26.1332 GPRESSAVG: 1520200 67.151 -26.8231 -12.3215 -24.0051 16.2794 -30.5442 -17.3566 -27.301 24.896 TIMING: 1520200 CPU: 4875.25, 0.00313783/step Wall: 4875.25, 0.00313783/step, 3.03306 hours remaining, 231.277344 MB of memory in use. ENERGY: 1520200 3965.6159 20606.1211 14502.6474 225.2264 -203695.1397 2763.8169 0.0000 0.0000 52108.9848 -109522.7272 299.4711 -161631.7120 -109156.4795 299.9142 67.3916 100.8326 759070.4899 36.2849 36.1088 LDB: ============= START OF LOAD BALANCING ============== 4887.67 LDB: ============== END OF LOAD BALANCING =============== 4887.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4887.67 LDB: ============= START OF LOAD BALANCING ============== 4887.99 LDB: Largest compute 7047 load 0.035381 is 18.1% of average load 0.195298 LDB: Average compute 0.004405 is 2.3% of average load 0.195298 LDB: TIME 4887.99 LOAD: AVG 0.195298 MAX 0.211758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 4887.99 LOAD: AVG 0.195298 MAX 0.211758 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: TIME 4887.99 LOAD: AVG 0.195298 MAX 0.211758 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: ============== END OF LOAD BALANCING =============== 4888 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4888 PRESSURE: 1520400 -62.4527 -128.073 -57.4372 -128.072 359.958 105.556 -57.4364 105.556 29.8764 GPRESSURE: 1520400 14.2859 30.553 -122.882 -183.109 401.507 -83.2475 64.523 64.5363 10.2844 PRESSAVG: 1520400 -39.6329 -40.3597 -5.90152 -40.3597 19.0219 -28.4308 -5.90153 -28.4308 1.13118 GPRESSAVG: 1520400 -40.4674 -39.1006 -6.58289 -43.1411 19.3117 -28.1971 -3.19016 -28.8096 1.83904 TIMING: 1520400 CPU: 4875.9, 0.00325219/step Wall: 4875.9, 0.00325219/step, 3.14342 hours remaining, 231.832031 MB of memory in use. ENERGY: 1520400 3979.4760 20569.3129 14394.6417 253.0221 -203527.7950 2503.7778 0.0000 0.0000 52270.6556 -109556.9090 300.4002 -161827.5645 -109192.0891 299.6943 109.1272 142.0258 758956.2354 -6.4933 -6.4389 PRESSURE: 1520600 -59.9655 -114.09 55.6433 -114.091 218.965 -127.489 55.6442 -127.489 99.0271 GPRESSURE: 1520600 -66.1809 -134.834 -44.3304 -54.5779 264.892 -107.645 76.79 -162.005 154.126 PRESSAVG: 1520600 44.5678 -37.6312 -23.9879 -37.6311 -10.513 -9.03964 -23.9879 -9.03971 -5.45 GPRESSAVG: 1520600 43.5508 -38.3518 -22.5366 -35.5093 -9.62727 -10.8253 -22.9786 -8.00219 -4.46672 TIMING: 1520600 CPU: 4876.53, 0.00318504/step Wall: 4876.53, 0.00318504/step, 3.07835 hours remaining, 231.972656 MB of memory in use. ENERGY: 1520600 3909.7947 20617.2451 14461.0793 271.3811 -203763.3888 2650.9118 0.0000 0.0000 52329.7270 -109523.2499 300.7397 -161852.9769 -109158.7691 299.5920 86.0088 117.6124 759730.4207 9.5349 9.8189 PRESSURE: 1520800 -294.013 207.558 -4.47565 207.557 -256.332 162.374 -4.47502 162.374 -10.8203 GPRESSURE: 1520800 -250.844 215.58 -12.2853 162.048 -180.354 148.795 2.59533 238.955 -26.6667 PRESSAVG: 1520800 45.3832 -11.8774 -34.1262 -11.8773 -31.7769 40.6722 -34.1261 40.6722 -13.7661 GPRESSAVG: 1520800 46.1719 -8.29291 -36.0214 -13.4256 -32.5633 41.7791 -34.7315 39.3472 -13.974 TIMING: 1520800 CPU: 4877.17, 0.00318406/step Wall: 4877.17, 0.00318406/step, 3.07722 hours remaining, 231.972656 MB of memory in use. ENERGY: 1520800 3982.3705 20603.5318 14398.8983 261.1054 -202931.2209 2034.1505 0.0000 0.0000 52009.0911 -109642.0734 298.8970 -161651.1645 -109286.6687 299.6626 -187.0552 -152.6215 761442.6644 -0.0533 -0.1218 PRESSURE: 1521000 312.967 -75.0172 -255.679 -75.0163 16.2558 1.54568 -255.679 1.54559 112.394 GPRESSURE: 1521000 372.891 -32.2296 -291.534 15.8514 27.5366 32.0792 -299.321 -69.0381 117.387 PRESSAVG: 1521000 -18.5571 -68.9928 -25.2556 -68.9928 14.2817 -9.24921 -25.2556 -9.24921 -8.86176 GPRESSAVG: 1521000 -16.817 -70.9992 -23.6052 -69.3761 13.4179 -10.1893 -25.7637 -7.4956 -9.00891 TIMING: 1521000 CPU: 4877.8, 0.00313513/step Wall: 4877.8, 0.00313513/step, 3.02976 hours remaining, 231.972656 MB of memory in use. ENERGY: 1521000 4013.4455 20406.7776 14405.1473 234.7679 -203526.6245 2638.3514 0.0000 0.0000 52268.9926 -109559.1423 300.3906 -161828.1349 -109185.6115 299.1511 147.2055 172.6047 760941.8173 -4.3791 -4.1360 PRESSURE: 1521200 170.033 -128.141 -74.922 -128.141 -148.949 -22.7664 -74.9216 -22.7653 2.19778 GPRESSURE: 1521200 78.2226 -136.039 -10.6181 -50.7002 -103.053 95.2984 -57.0117 -144.491 131.574 PRESSAVG: 1521200 13.5909 -7.24842 -24.9812 -7.24843 -4.58409 23.3053 -24.9812 23.3053 -3.63303 GPRESSAVG: 1521200 12.2679 -6.7989 -25.8625 -5.96014 -4.61434 22.6388 -25.0964 24.0859 -2.35222 TIMING: 1521200 CPU: 4878.42, 0.003133/step Wall: 4878.42, 0.003133/step, 3.02752 hours remaining, 231.972656 MB of memory in use. ENERGY: 1521200 4000.5646 20606.7386 14501.2829 245.7135 -203564.2426 2443.3349 0.0000 0.0000 52121.8436 -109644.7645 299.5450 -161766.6081 -109285.1941 299.6980 7.7608 35.5810 760291.4323 1.7913 1.7671 PRESSURE: 1521400 -209.031 -47.408 263.382 -47.4084 191.312 5.43155 263.383 5.43077 -30.3713 GPRESSURE: 1521400 -119.325 -108.492 204.544 -58.295 184.902 -21.9454 278.079 -9.29691 -29.4885 PRESSAVG: 1521400 -26.0569 -5.22392 34.0399 -5.22397 18.2442 -8.01509 34.0399 -8.01507 -12.9788 GPRESSAVG: 1521400 -26.1961 -5.05836 34.6349 -4.7535 17.8656 -7.35235 35.4 -10.9189 -12.1745 TIMING: 1521400 CPU: 4879.05, 0.00314222/step Wall: 4879.05, 0.00314222/step, 3.03626 hours remaining, 232.042969 MB of memory in use. ENERGY: 1521400 3948.6627 20487.1063 14411.2922 245.5368 -203281.9178 2208.9612 0.0000 0.0000 52152.0436 -109828.3151 299.7185 -161980.3587 -109454.2888 299.3199 -16.0302 12.0296 761297.2156 -6.9305 -6.8350 PRESSURE: 1521600 -371.187 132.346 177.827 132.346 -206.784 -282.359 177.827 -282.359 -302.21 GPRESSURE: 1521600 -267.243 97.9539 131.757 73.1224 -176.388 -283.998 41.2428 -288.113 -357.815 PRESSAVG: 1521600 -38.4284 -29.7847 -40.6335 -29.7848 30.8889 -3.33206 -40.6335 -3.33213 -14.7131 GPRESSAVG: 1521600 -36.0616 -29.4389 -40.9027 -29.6257 30.4795 -2.45225 -40.6615 -3.64693 -16.1015 TIMING: 1521600 CPU: 4879.69, 0.00316835/step Wall: 4879.69, 0.00316835/step, 3.06133 hours remaining, 232.042969 MB of memory in use. ENERGY: 1521600 4064.2797 20513.2403 14407.9251 244.8249 -203362.6157 2327.3800 0.0000 0.0000 52082.7230 -109722.2428 299.3201 -161804.9658 -109357.3768 299.3557 -293.3935 -267.1487 762300.4686 -7.4176 -7.2278 PRESSURE: 1521800 -132.653 130.852 72.216 130.853 19.1684 -52.699 72.2165 -52.6986 -78.0165 GPRESSURE: 1521800 19.8663 129.225 17.5974 124.13 -57.862 -156.771 42.4417 53.2472 -80.8992 PRESSAVG: 1521800 -47.4946 -21.0544 21.7397 -21.0543 46.493 19.7794 21.7396 19.7794 -15.4135 GPRESSAVG: 1521800 -49.1501 -22.2161 20.3102 -21.4359 47.857 19.731 21.778 20.2129 -14.8477 TIMING: 1521800 CPU: 4880.32, 0.00317605/step Wall: 4880.32, 0.00317605/step, 3.06859 hours remaining, 232.042969 MB of memory in use. ENERGY: 1521800 3965.3174 20717.3669 14460.6929 266.2966 -203900.2949 2529.8833 0.0000 0.0000 51996.8213 -109963.9165 298.8264 -161960.7378 -109611.4181 298.8002 -63.8337 -39.6316 759802.1794 -5.4717 -5.3803 PRESSURE: 1522000 389.237 -286.898 154.392 -286.899 -126.41 140.226 154.392 140.225 -40.0902 GPRESSURE: 1522000 354.462 -214.914 144.63 -241.168 -48.817 182.81 136.149 113.065 4.74804 PRESSAVG: 1522000 7.83857 28.8049 14.3636 28.805 6.44843 14.323 14.3636 14.3231 7.2778 GPRESSAVG: 1522000 8.99431 31.5913 15.0405 28.0621 6.16677 14.8671 14.1111 15.905 6.20824 TIMING: 1522000 CPU: 4880.95, 0.00316016/step Wall: 4880.95, 0.00316016/step, 3.05306 hours remaining, 232.042969 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: 1522000 3953.7318 20543.2964 14385.0442 241.0993 -203602.3503 2439.9759 0.0000 0.0000 52381.3808 -109657.8217 301.0365 -162039.2025 -109291.2978 299.1947 74.2454 103.4644 759461.8956 7.1883 7.1231 PRESSURE: 1522200 -104.468 -153.845 -194.309 -153.845 -107.095 -63.9487 -194.309 -63.9487 218.348 GPRESSURE: 1522200 -35.0696 -36.0414 -231.898 -234.918 -39.207 -44.3138 -7.83599 -151.653 183.961 PRESSAVG: 1522200 -3.15607 -45.3278 -8.42187 -45.3278 -9.31939 28.4484 -8.42188 28.4484 0.773701 GPRESSAVG: 1522200 -3.11085 -45.7869 -8.64616 -44.8986 -8.67064 27.273 -8.569 28.102 0.156442 TIMING: 1522200 CPU: 4881.58, 0.00314364/step Wall: 4881.58, 0.00314364/step, 3.03693 hours remaining, 232.042969 MB of memory in use. ENERGY: 1522200 4068.7222 20883.7609 14428.3297 262.4522 -203756.4545 2617.5749 0.0000 0.0000 52060.2171 -109435.3976 299.1908 -161495.6147 -109083.9606 299.3863 2.2617 36.5614 760392.5112 -3.9006 -3.8750 PRESSURE: 1522400 155.977 -119.631 -33.9947 -119.631 -248.081 -30.7597 -33.9941 -30.759 -450.081 GPRESSURE: 1522400 119.72 -110.658 -9.13867 -120.55 -199.25 -30.2968 133.211 81.6252 -369.965 PRESSAVG: 1522400 61.4146 -10.5915 -12.8815 -10.5916 -16.357 -3.76891 -12.8815 -3.76892 0.765086 GPRESSAVG: 1522400 59.4147 -12.8234 -11.5512 -10.1966 -15.7449 -2.30944 -13.4146 -4.93883 2.48532 TIMING: 1522400 CPU: 4882.21, 0.0031456/step Wall: 4882.21, 0.0031456/step, 3.03865 hours remaining, 232.042969 MB of memory in use. ENERGY: 1522400 4005.8449 20528.5378 14439.9108 234.2298 -203414.4249 2480.2790 0.0000 0.0000 52062.2385 -109663.3839 299.2024 -161725.6224 -109298.1742 299.2765 -180.7283 -149.8317 759987.3168 15.2742 15.3850 PRESSURE: 1522600 96.214 103.374 -100.907 103.374 -151.748 272.616 -100.907 272.615 -51.9175 GPRESSURE: 1522600 114.914 118.766 -59.4897 159.176 -49.2537 218.247 -153.684 137.909 -74.144 PRESSAVG: 1522600 43.5767 -25.8915 -3.78979 -25.8916 -14.9522 13.6709 -3.78979 13.6709 -17.6198 GPRESSAVG: 1522600 44.9583 -23.8103 -3.58236 -26.6988 -16.8872 13.0477 -4.14363 13.6587 -17.7731 TIMING: 1522600 CPU: 4882.85, 0.00321209/step Wall: 4882.85, 0.00321209/step, 3.1027 hours remaining, 232.042969 MB of memory in use. ENERGY: 1522600 4002.1588 20516.5474 14494.6053 247.5602 -203501.1205 2542.9423 0.0000 0.0000 51859.0832 -109838.2233 298.0349 -161697.3065 -109476.8302 299.6436 -35.8173 -2.8277 760005.4847 3.6682 3.4327 PRESSURE: 1522800 225.854 -0.659341 -54.0576 -0.659171 -28.2175 -214.75 -54.057 -214.75 -291.028 GPRESSURE: 1522800 177.774 41.5194 -85.6205 -9.71418 66.7515 -175.884 45.0769 -128.07 -233.563 PRESSAVG: 1522800 66.8268 -29.6797 16.5701 -29.6797 -68.5421 70.7261 16.5701 70.726 -2.21718 GPRESSAVG: 1522800 67.0595 -28.9412 17.1478 -29.0432 -68.0977 71.2662 17.7801 71.9052 -2.29682 TIMING: 1522800 CPU: 4883.49, 0.00317269/step Wall: 4883.49, 0.00317269/step, 3.06446 hours remaining, 232.042969 MB of memory in use. ENERGY: 1522800 3900.7859 20645.5207 14424.2033 253.9836 -203215.7214 2275.4131 0.0000 0.0000 51900.7342 -109815.0804 298.2742 -161715.8146 -109451.9306 299.1810 -31.1305 3.6542 759702.2956 -1.3108 -1.1117 PRESSURE: 1523000 264.558 -345.077 -54.8637 -345.078 -67.2595 197.993 -54.8642 197.994 -258.234 GPRESSURE: 1523000 310.124 -244.386 -76.2628 -193.742 -17.5091 182.981 91.8731 148.436 -260.295 PRESSAVG: 1523000 29.8518 -50.3952 -67.6796 -50.3953 -37.7483 5.9518 -67.6796 5.95178 9.88077 GPRESSAVG: 1523000 28.9916 -51.6763 -69.481 -50.9932 -36.1873 5.10223 -65.8715 3.51363 9.25345 TIMING: 1523000 CPU: 4884.12, 0.00317527/step Wall: 4884.12, 0.00317527/step, 3.06678 hours remaining, 232.042969 MB of memory in use. ENERGY: 1523000 3984.4512 20448.0869 14429.6691 239.5831 -203166.2268 2230.9837 0.0000 0.0000 51946.3534 -109887.0994 298.5364 -161833.4529 -109522.3182 298.7509 -20.3117 10.7732 761051.5630 0.6614 0.6859 PRESSURE: 1523200 56.8091 3.79107 -6.02774 3.79085 -109.092 -138.93 -6.02733 -138.929 -65.0405 GPRESSURE: 1523200 171.938 29.6592 -111.866 -103.622 -29.5649 -200.487 -50.1215 78.666 -142.515 PRESSAVG: 1523200 80.3216 -45.2987 -5.15869 -45.2988 -57.2676 -25.0339 -5.15865 -25.0339 7.32212 GPRESSAVG: 1523200 81.0342 -46.6809 -5.17052 -44.5823 -57.8306 -24.3599 -6.00092 -23.3307 7.08841 TIMING: 1523200 CPU: 4884.75, 0.0031449/step Wall: 4884.75, 0.0031449/step, 3.03727 hours remaining, 232.042969 MB of memory in use. ENERGY: 1523200 3980.7164 20453.9918 14418.1796 248.6115 -203292.8684 2240.3140 0.0000 0.0000 51983.4828 -109967.5723 298.7498 -161951.0552 -109601.2344 298.7283 -39.1077 -0.0474 759401.0483 10.1254 10.0973 PRESSURE: 1523400 100.897 -16.37 -124.312 -16.3705 -11.9818 117.053 -124.312 117.052 -137.048 GPRESSURE: 1523400 180.373 -88.2555 -158.536 -1.54595 -2.27425 162.409 -16.7127 108.595 -119.235 PRESSAVG: 1523400 35.3781 -60.2685 26.2844 -60.2686 -32.8393 -31.3973 26.2844 -31.3973 -12.5522 GPRESSAVG: 1523400 36.1738 -59.6968 27.0618 -60.8079 -33.7442 -31.2727 25.9502 -30.8523 -12.7824 TIMING: 1523400 CPU: 4885.38, 0.0031528/step Wall: 4885.38, 0.0031528/step, 3.04473 hours remaining, 232.042969 MB of memory in use. ENERGY: 1523400 3934.9134 20444.2276 14360.7723 251.9401 -203188.2552 2365.8045 0.0000 0.0000 51741.9674 -110088.6300 297.3618 -161830.5973 -109726.7396 298.3881 -16.0444 19.6210 760611.3296 -3.3378 -3.4509 PRESSURE: 1523600 -401.53 178.157 172.916 178.157 192.007 -96.4568 172.916 -96.4555 68.3867 GPRESSURE: 1523600 -315.881 341.909 94.9736 47.8396 195.84 -70.9315 -68.8706 -17.6248 63.5577 PRESSAVG: 1523600 9.91222 -27.1759 -2.51592 -27.1759 18.6816 -15.4608 -2.51585 -15.4609 14.8784 GPRESSAVG: 1523600 8.73708 -25.9354 -4.7388 -27.4677 18.6125 -14.7661 -2.77898 -16.9223 15.7378 TIMING: 1523600 CPU: 4886.01, 0.00315702/step Wall: 4886.01, 0.00315702/step, 3.04863 hours remaining, 232.042969 MB of memory in use. ENERGY: 1523600 3959.6768 20580.8241 14443.3357 274.1717 -203520.5951 2312.5149 0.0000 0.0000 51918.3350 -110031.7370 298.3754 -161950.0720 -109664.8809 298.3487 -47.0455 -18.8277 761435.8371 14.4907 14.3624 PRESSURE: 1523800 -42.1881 82.5176 -38.0466 82.5178 262.362 -120.503 -38.047 -120.504 -361.492 GPRESSURE: 1523800 -46.5498 42.8572 -13.1471 46.6013 186.52 -69.8201 -70.1045 -219.04 -214.401 PRESSAVG: 1523800 3.33345 -49.8276 -5.95179 -49.8277 36.0955 12.6124 -5.95185 12.6124 -7.04741 GPRESSAVG: 1523800 2.88051 -50.1731 -4.48169 -50.3223 36.4625 12.1218 -6.25924 12.6477 -7.04664 TIMING: 1523800 CPU: 4886.64, 0.00314077/step Wall: 4886.64, 0.00314077/step, 3.03277 hours remaining, 232.042969 MB of memory in use. ENERGY: 1523800 3969.6026 20478.6604 14450.2369 243.7085 -204161.7734 2856.2123 0.0000 0.0000 52056.8951 -110106.4576 299.1717 -162163.3527 -109738.5646 298.4450 -47.1060 -24.8102 759243.9313 10.7938 10.7655 PRESSURE: 1524000 -108.425 -82.7413 19.7006 -82.7419 -7.85671 -110.69 19.7001 -110.69 314.224 GPRESSURE: 1524000 -55.7421 -97.9483 -31.2391 -69.3729 38.4447 -89.1023 1.01869 -135.186 325.151 PRESSAVG: 1524000 -6.93802 -8.2729 -39.4381 -8.27288 -9.23979 32.4767 -39.4381 32.4767 4.83864 GPRESSAVG: 1524000 -5.92097 -7.4563 -37.6963 -8.46889 -10.0834 32.0407 -40.9952 33.454 4.52241 TIMING: 1524000 CPU: 4887.28, 0.00316854/step Wall: 4887.28, 0.00316854/step, 3.0594 hours remaining, 232.042969 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: 1524000 3989.8846 20468.7990 14390.1690 248.2024 -203808.7609 2668.7414 0.0000 0.0000 52109.3517 -109933.6129 299.4732 -162042.9646 -109572.1221 298.8579 65.9806 102.6180 760918.3076 -3.7797 -3.8273 PRESSURE: 1524200 -160.38 -35.2969 210.42 -35.2966 67.4954 -91.5308 210.42 -91.5311 335.273 GPRESSURE: 1524200 -137.646 -94.8384 174.694 -79.6884 129.852 -88.8715 196.837 -16.8507 341.549 PRESSAVG: 1524200 31.0011 -59.0024 56.922 -59.0024 -29.6283 -28.7755 56.922 -28.7754 -18.5632 GPRESSAVG: 1524200 30.8583 -59.8735 56.2678 -59.5304 -28.8236 -28.1646 58.4072 -28.5395 -18.9849 TIMING: 1524200 CPU: 4887.9, 0.00314032/step Wall: 4887.9, 0.00314032/step, 3.03198 hours remaining, 232.042969 MB of memory in use. ENERGY: 1524200 3996.5692 20534.0203 14449.4324 258.4093 -203640.7938 2569.1497 0.0000 0.0000 51790.6838 -110042.5292 297.6418 -161833.2130 -109694.9979 298.9502 80.7963 111.2515 760694.2666 -5.7301 -5.6501 LDB: ============= START OF LOAD BALANCING ============== 4900.32 LDB: ============== END OF LOAD BALANCING =============== 4900.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4900.32 LDB: ============= START OF LOAD BALANCING ============== 4900.64 LDB: Largest compute 7047 load 0.033719 is 17.3% of average load 0.195399 LDB: Average compute 0.004402 is 2.3% of average load 0.195399 LDB: TIME 4900.64 LOAD: AVG 0.195399 MAX 0.211947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.574 MB LDB: TIME 4900.64 LOAD: AVG 0.195399 MAX 0.211947 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: TIME 4900.64 LOAD: AVG 0.195399 MAX 0.211947 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: ============== END OF LOAD BALANCING =============== 4900.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4900.65 PRESSURE: 1524400 -57.4827 53.266 130.724 53.2664 -103.336 -270.973 130.724 -270.972 -734.796 GPRESSURE: 1524400 -60.6286 143.88 63.8639 -34.0222 -18.151 -130.636 100.187 -259.148 -750.616 PRESSAVG: 1524400 18.2864 -29.4153 41.3585 -29.4152 -28.9947 -10.7951 41.3585 -10.7951 28.5508 GPRESSAVG: 1524400 17.5756 -29.1906 41.626 -29.6746 -29.3145 -10.9137 40.8635 -10.0779 29.3589 TIMING: 1524400 CPU: 4888.55, 0.00321136/step Wall: 4888.55, 0.00321136/step, 3.10039 hours remaining, 231.312500 MB of memory in use. ENERGY: 1524400 4093.7004 20446.9387 14369.3251 244.3668 -203867.6760 2650.3756 0.0000 0.0000 52017.0127 -110045.9567 298.9425 -162062.9695 -109686.5236 298.3127 -298.5382 -276.4651 759367.2444 5.9475 5.8733 PRESSURE: 1524600 -438.412 -172.202 -89.3995 -172.202 -217.458 171.986 -89.3988 171.985 231.779 GPRESSURE: 1524600 -414.803 -238.605 -83.1194 -196.45 -199.496 139.387 -78.4471 226.98 271.052 PRESSAVG: 1524600 6.21469 -85.0748 9.89067 -85.0748 -31.9034 -31.42 9.89071 -31.42 -10.4108 GPRESSAVG: 1524600 7.19 -85.8161 9.09216 -84.5856 -32.7928 -30.5132 9.95365 -33.944 -10.7592 TIMING: 1524600 CPU: 4889.17, 0.00312737/step Wall: 4889.17, 0.00312736/step, 3.01911 hours remaining, 231.515625 MB of memory in use. ENERGY: 1524600 3900.3862 20502.9929 14411.8004 244.4318 -203381.8685 2212.7626 0.0000 0.0000 52029.3671 -110080.1274 299.0135 -162109.4945 -109708.6394 298.5799 -141.3638 -114.4156 760329.0836 -12.0332 -12.1206 PRESSURE: 1524800 -78.9603 -157.462 -94.4851 -157.462 32.0204 128.094 -94.4854 128.094 -269.892 GPRESSURE: 1524800 -88.2724 -111.432 -76.4747 -150.757 28.7683 122.735 -72.8062 239.551 -183.19 PRESSAVG: 1524800 -3.74072 -35.1956 13.814 -35.1956 32.3365 71.25 13.814 71.2501 8.78991 GPRESSAVG: 1524800 -4.13234 -34.3128 14.5111 -34.916 32.6732 69.6946 14.7352 73.3913 9.11538 TIMING: 1524800 CPU: 4889.8, 0.00314854/step Wall: 4889.8, 0.00314856/step, 3.03941 hours remaining, 231.515625 MB of memory in use. ENERGY: 1524800 4014.8437 20530.1798 14475.2634 258.0220 -203682.5026 2583.8564 0.0000 0.0000 51781.9256 -110038.4118 297.5914 -161820.3374 -109687.3785 298.1394 -105.6105 -80.8980 761686.2992 12.4619 12.5521 PRESSURE: 1525000 -137.565 -161.908 136.551 -161.908 -151.237 -211.369 136.55 -211.37 -452.325 GPRESSURE: 1525000 -164.815 -230.659 165.394 -160.849 -183.874 -210.259 47.6784 -252.397 -290.208 PRESSAVG: 1525000 51.9474 -17.9485 36.1754 -17.9485 -45.9417 5.02779 36.1754 5.02775 -4.55997 GPRESSAVG: 1525000 51.6647 -19.2715 35.2671 -18.8451 -45.9811 5.29423 36.9945 3.08756 -4.08549 TIMING: 1525000 CPU: 4890.43, 0.00315209/step Wall: 4890.43, 0.00315209/step, 3.04264 hours remaining, 231.515625 MB of memory in use. ENERGY: 1525000 4045.3727 20552.7679 14529.5454 246.7825 -203524.7155 2242.3179 0.0000 0.0000 51861.9253 -110046.0037 298.0512 -161907.9291 -109674.6315 298.4369 -247.0426 -212.9657 761152.3533 0.4819 0.5327 PRESSURE: 1525200 -111.465 -136.442 -32.0791 -136.442 -11.2308 190.397 -32.0788 190.397 211.89 GPRESSURE: 1525200 -64.7524 -110.575 -17.9338 -30.0798 60.0607 79.509 -39.5148 254.993 175.786 PRESSAVG: 1525200 16.9411 -57.8627 73.6573 -57.8627 -3.27957 -18.3146 73.6573 -18.3147 22.9836 GPRESSAVG: 1525200 16.5914 -56.3521 73.3763 -57.5467 -2.16817 -18.2437 72.5748 -14.8807 21.5529 TIMING: 1525200 CPU: 4891.06, 0.00314562/step Wall: 4891.06, 0.00314562/step, 3.03622 hours remaining, 231.515625 MB of memory in use. ENERGY: 1525200 3917.3763 20542.9535 14422.2619 226.4932 -203552.2085 2471.1822 0.0000 0.0000 51957.0418 -110014.8996 298.5978 -161971.9415 -109653.4364 298.6614 29.7313 57.0316 760529.5225 12.2150 11.9920 PRESSURE: 1525400 44.2974 29.8224 33.428 29.8227 191.367 448.198 33.4281 448.198 101.995 GPRESSURE: 1525400 163.633 -26.656 10.959 34.1814 97.4076 375.611 -25.1649 265.283 177.737 PRESSAVG: 1525400 2.03499 -39.5239 1.81617 -39.524 11.4347 -21.5502 1.81617 -21.5502 12.9506 GPRESSAVG: 1525400 0.986265 -41.0605 0.228219 -39.1578 10.3254 -21.5493 6.27069 -22.3614 15.1122 TIMING: 1525400 CPU: 4891.69, 0.00314133/step Wall: 4891.69, 0.00314133/step, 3.03191 hours remaining, 231.515625 MB of memory in use. ENERGY: 1525400 4012.5034 20500.0881 14463.5618 236.7522 -203727.6158 2599.2471 0.0000 0.0000 51949.2809 -109966.1823 298.5532 -161915.4633 -109601.2609 298.7057 112.5532 146.2590 759641.8882 8.8068 8.8080 PRESSURE: 1525600 -88.5042 43.0387 312.095 43.039 92.7186 79.0636 312.094 79.0644 -56.6349 GPRESSURE: 1525600 -6.50938 -2.69514 244.038 19.8347 98.7223 171.353 103.863 -26.1718 -58.2835 PRESSAVG: 1525600 -64.1782 -51.1968 3.09524 -51.1968 29.1849 28.4073 3.09521 28.4073 -8.57257 GPRESSAVG: 1525600 -63.0021 -51.5663 4.31277 -52.4976 29.6556 28.8756 -0.795231 28.7533 -10.5811 TIMING: 1525600 CPU: 4892.32, 0.00316807/step Wall: 4892.32, 0.00316807/step, 3.05754 hours remaining, 231.515625 MB of memory in use. ENERGY: 1525600 3955.9339 20510.5423 14465.6722 247.7444 -204085.0684 2820.0752 0.0000 0.0000 52097.1430 -109987.9574 299.4030 -162085.1004 -109618.3540 298.2682 -17.4735 11.3098 761157.6396 -14.5219 -14.6425 PRESSURE: 1525800 -153.254 -46.6771 211.901 -46.6776 41.0014 -93.4155 211.901 -93.4142 -237.379 GPRESSURE: 1525800 -37.7878 -50.2515 213.383 56.3502 21.8047 -87.9466 20.1983 -9.9736 -255.018 PRESSAVG: 1525800 17.6833 -67.5375 30.1051 -67.5375 -1.57975 12.088 30.1051 12.0881 8.10418 GPRESSAVG: 1525800 16.9462 -65.3948 29.5262 -67.668 -2.55999 11.6694 28.8925 12.0606 9.74946 TIMING: 1525800 CPU: 4892.95, 0.00315705/step Wall: 4892.95, 0.00315705/step, 3.04673 hours remaining, 231.515625 MB of memory in use. ENERGY: 1525800 3905.1736 20564.0755 14459.1837 231.7741 -203722.5864 2610.9462 0.0000 0.0000 52008.9435 -109942.4898 298.8961 -161951.4333 -109572.6631 298.0301 -116.5439 -90.3338 762700.3612 8.0692 8.0452 PRESSURE: 1526000 683.499 -221.77 -32.0433 -221.769 120.788 -211.562 -32.0435 -211.562 83.8061 GPRESSURE: 1526000 699.637 -275.803 -50.7009 -212.194 189.24 -300.226 17.3336 -240.462 106.003 PRESSAVG: 1526000 75.881 -90.3095 22.8683 -90.3095 -54.3177 1.68467 22.8684 1.68465 -3.82091 GPRESSAVG: 1526000 76.0967 -92.3634 22.8937 -89.2729 -53.086 1.16395 25.2004 1.91275 -5.1573 TIMING: 1526000 CPU: 4893.58, 0.00315604/step Wall: 4893.58, 0.00315604/step, 3.04558 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1526000 3965.3658 20607.2178 14415.2187 240.3661 -203968.8221 3038.2244 0.0000 0.0000 51771.4415 -109930.9877 297.5312 -161702.4293 -109584.0366 298.7185 296.0314 331.6269 760878.2101 5.9141 5.9511 PRESSURE: 1526200 61.0165 -232.479 45.7465 -232.481 -164.326 37.686 45.7465 37.6857 69.4489 GPRESSURE: 1526200 177.661 -153.692 31.5633 -239.2 -128.36 39.2304 -99.2097 84.4493 19.5819 PRESSAVG: 1526200 -26.8445 -51.5675 36.2397 -51.5676 3.49775 1.05628 36.2397 1.05629 3.42306 GPRESSAVG: 1526200 -28.3404 -50.9892 37.7736 -52.7449 4.23458 0.783442 36.1025 2.30082 4.18901 TIMING: 1526200 CPU: 4894.22, 0.00315458/step Wall: 4894.22, 0.00315458/step, 3.04399 hours remaining, 231.515625 MB of memory in use. ENERGY: 1526200 3945.8114 20488.6328 14510.9749 259.3791 -203765.3338 2589.5365 0.0000 0.0000 51921.8559 -110049.1433 298.3956 -161970.9992 -109682.3468 298.6673 -11.2868 22.9609 759068.8115 -6.6412 -6.6390 PRESSURE: 1526400 37.7057 96.7439 178.99 96.7437 -231.121 -4.73886 178.99 -4.73793 -25.6846 GPRESSURE: 1526400 -4.98829 60.5814 187.84 169.223 -199.196 -39.684 90.1125 -50.91 69.3882 PRESSAVG: 1526400 48.4318 -21.7524 -25.356 -21.7524 -74.3408 20.6509 -25.3561 20.6508 7.13766 GPRESSAVG: 1526400 48.8071 -21.9699 -25.2931 -19.6672 -74.7687 21.9904 -27.502 20.2637 7.34365 TIMING: 1526400 CPU: 4894.86, 0.00320023/step Wall: 4894.86, 0.00320023/step, 3.08787 hours remaining, 231.515625 MB of memory in use. ENERGY: 1526400 3933.9368 20605.3077 14480.0014 245.2631 -203588.9542 2458.4261 0.0000 0.0000 51825.3190 -110040.7000 297.8408 -161866.0190 -109695.8073 298.0869 -73.0332 -44.9320 760064.5907 -6.2571 -6.2060 PRESSURE: 1526600 -355.171 124.794 339.803 124.795 -264.795 -52.378 339.803 -52.3775 -176.007 GPRESSURE: 1526600 -311.02 20.5611 324.012 53.7384 -191.632 45.605 153.324 -43.2749 -199.665 PRESSAVG: 1526600 56.2045 -70.9547 59.4846 -70.9547 -63.4561 44.5651 59.4846 44.5651 8.03948 GPRESSAVG: 1526600 57.4984 -69.4045 59.7543 -72.9669 -63.8434 43.3724 56.8941 44.1421 6.83363 TIMING: 1526600 CPU: 4895.49, 0.00316098/step Wall: 4895.49, 0.00316098/step, 3.04982 hours remaining, 231.515625 MB of memory in use. ENERGY: 1526600 3944.1054 20396.2250 14456.5678 247.8863 -203454.3392 2589.9181 0.0000 0.0000 51851.2035 -109968.4331 297.9896 -161819.6366 -109601.4017 298.1309 -265.3242 -234.1058 761681.5850 0.2626 0.1629 PRESSURE: 1526800 52.2159 -113.597 -76.2652 -113.597 25.1495 -9.16466 -76.265 -9.16496 130.441 GPRESSURE: 1526800 100.992 -55.1012 -148.278 -117.09 44.0763 18.8099 -65.111 -46.9816 153.225 PRESSAVG: 1526800 -6.78992 -39.2264 6.89133 -39.2264 22.5423 1.56235 6.89133 1.5623 -10.1364 GPRESSAVG: 1526800 -6.89097 -39.6775 5.54438 -37.4579 22.4262 1.48299 8.64859 0.998291 -9.8165 TIMING: 1526800 CPU: 4896.12, 0.00314558/step Wall: 4896.12, 0.00314558/step, 3.03479 hours remaining, 231.515625 MB of memory in use. ENERGY: 1526800 3967.4865 20365.3390 14460.2264 235.8486 -203627.7378 2715.1244 0.0000 0.0000 52040.7132 -109842.9998 299.0787 -161883.7130 -109470.4177 298.0489 69.2687 99.4313 761039.8990 1.8720 1.9063 PRESSURE: 1527000 191.835 55.5124 -260.126 55.5136 313.119 62.2035 -260.125 62.2035 285.454 GPRESSURE: 1527000 283.13 30.439 -243.574 51.4067 366.34 104.833 -213.056 32.9319 240.123 PRESSAVG: 1527000 -28.6829 -59.2289 17.7728 -59.229 38.2109 17.8772 17.7728 17.8771 -5.78182 GPRESSAVG: 1527000 -28.6458 -58.9971 18.1874 -60.3324 39.146 18.0716 20.5891 16.5457 -6.65265 TIMING: 1527000 CPU: 4896.75, 0.00314629/step Wall: 4896.75, 0.00314629/step, 3.03529 hours remaining, 231.515625 MB of memory in use. ENERGY: 1527000 3961.9188 20344.9079 14489.0243 241.5489 -203314.1415 2387.4279 0.0000 0.0000 51973.6387 -109915.6749 298.6932 -161889.3137 -109551.4897 298.5880 263.4691 296.5311 759863.2751 1.2487 1.2825 PRESSURE: 1527200 -147.047 -98.0763 28.3596 -98.0767 -0.707214 -46.9645 28.36 -46.9646 -124.868 GPRESSURE: 1527200 -200.099 -9.62128 -46.9641 -100.395 168.827 35.9541 26.4922 -74.4959 -136.599 PRESSAVG: 1527200 14.9812 -54.1168 4.59338 -54.1167 21.6694 -77.3446 4.59333 -77.3447 2.13336 GPRESSAVG: 1527200 14.7812 -54.6522 5.43625 -54.0715 19.5059 -76.0625 3.60865 -77.575 4.94365 TIMING: 1527200 CPU: 4897.38, 0.00314757/step Wall: 4897.38, 0.00314757/step, 3.03635 hours remaining, 231.515625 MB of memory in use. ENERGY: 1527200 3911.9890 20461.0418 14405.9299 232.9811 -203168.5188 2325.4696 0.0000 0.0000 52109.5869 -109721.5205 299.4745 -161831.1074 -109356.0398 298.1893 -90.8740 -55.9571 761449.5812 12.9280 13.0769 PRESSURE: 1527400 18.8908 -20.1161 165.444 -20.1164 -83.4944 49.5616 165.443 49.5612 -421.749 GPRESSURE: 1527400 -1.3922 -6.02593 58.9395 -8.41423 -26.7494 89.7259 177.795 80.6589 -367.277 PRESSAVG: 1527400 67.102 -61.9764 29.6462 -61.9765 -38.974 -15.6331 29.6462 -15.6332 29.5821 GPRESSAVG: 1527400 65.9157 -59.2699 30.0559 -61.8905 -37.6108 -18.0404 28.5282 -14.2944 29.5001 TIMING: 1527400 CPU: 4898.01, 0.00317371/step Wall: 4898.01, 0.00317371/step, 3.0614 hours remaining, 231.515625 MB of memory in use. ENERGY: 1527400 3988.9379 20502.5774 14468.1771 244.7781 -203150.4112 2181.1796 0.0000 0.0000 51939.0284 -109825.7328 298.4943 -161764.7612 -109462.2163 298.8887 -162.1175 -131.8063 759874.1106 19.2367 19.2684 PRESSURE: 1527600 -228.483 -297.438 77.9246 -297.439 -88.2678 -388.526 77.9244 -388.526 -1.64024 GPRESSURE: 1527600 -186.551 -250.596 28.1238 -161.456 26.1242 -436.685 123.684 -409.023 -77.3861 PRESSAVG: 1527600 8.49409 -62.9938 -20.0364 -62.9939 4.26379 -56.6524 -20.0364 -56.6523 -27.0765 GPRESSAVG: 1527600 9.58651 -66.7414 -21.7466 -61.3293 4.87324 -55.3922 -18.5853 -57.8309 -28.1814 TIMING: 1527600 CPU: 4898.64, 0.00316954/step Wall: 4898.64, 0.00316954/step, 3.0572 hours remaining, 231.515625 MB of memory in use. ENERGY: 1527600 4034.8722 20558.9146 14526.2357 238.5863 -203394.5028 2273.3655 0.0000 0.0000 51992.8644 -109769.6641 298.8037 -161762.5285 -109406.4036 298.8746 -106.1303 -79.2710 759022.8430 -4.7729 -4.5739 PRESSURE: 1527800 -516.982 156.279 -4.95057 156.28 -145.738 -100.666 -4.95073 -100.666 -24.7659 GPRESSURE: 1527800 -478.311 89.8642 -128.744 119.413 -148.707 -7.02853 57.9651 -37.1102 29.939 PRESSAVG: 1527800 -17.0323 -76.7607 21.7273 -76.7607 45.1839 -31.4229 21.7273 -31.423 7.94077 GPRESSAVG: 1527800 -16.3737 -75.7209 22.0142 -77.6561 43.9067 -33.1468 21.0977 -28.5092 8.49695 TIMING: 1527800 CPU: 4899.28, 0.00315604/step Wall: 4899.28, 0.00315604/step, 3.044 hours remaining, 231.515625 MB of memory in use. ENERGY: 1527800 4046.9636 20381.1014 14358.0469 227.1143 -203274.4248 2229.1638 0.0000 0.0000 52094.3464 -109937.6883 299.3869 -162032.0347 -109578.8744 299.2660 -229.1622 -199.0263 761921.6458 12.0308 12.0100 PRESSURE: 1528000 -244.07 -142.043 -50.5802 -142.042 9.37179 2.0433 -50.5794 2.04198 48.1874 GPRESSURE: 1528000 -150.473 -255.3 -92.6336 -126.057 55.9924 100.572 178.81 53.5715 -11.2626 PRESSAVG: 1528000 -20.2232 -75.2048 -24.1138 -75.2048 53.2514 24.2908 -24.1138 24.2908 1.97382 GPRESSAVG: 1528000 -20.7981 -75.3654 -24.666 -77.2481 54.9796 25.6144 -22.8006 22.8864 1.20959 TIMING: 1528000 CPU: 4899.91, 0.00315275/step Wall: 4899.91, 0.00315275/step, 3.04065 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1528000 3944.8366 20292.4527 14419.6970 237.7978 -203468.6712 2513.5584 0.0000 0.0000 52082.0415 -109978.2872 299.3162 -162060.3287 -109607.3835 298.7332 -62.1704 -35.2478 759876.3444 11.6673 11.7970 PRESSURE: 1528200 14.3683 15.2404 -123.004 15.2416 425.979 225.25 -123.004 225.251 51.0649 GPRESSURE: 1528200 93.0225 61.22 -83.96 44.7755 439.588 170.76 0.94937 295.515 40.413 PRESSAVG: 1528200 22.2135 -86.8981 25.0983 -86.8981 -66.3239 62.3883 25.0983 62.3882 7.05432 GPRESSAVG: 1528200 23.8071 -85.7464 25.3639 -86.5777 -67.7085 61.3117 24.9561 63.4391 6.11773 TIMING: 1528200 CPU: 4900.54, 0.00315168/step Wall: 4900.54, 0.00315168/step, 3.03945 hours remaining, 231.515625 MB of memory in use. ENERGY: 1528200 4017.4350 20211.5563 14378.9475 257.0816 -203651.9910 2747.4349 0.0000 0.0000 52078.3422 -109961.1934 299.2949 -162039.5356 -109592.4696 297.9296 163.8040 191.0078 760143.6992 -12.3520 -12.5946 LDB: ============= START OF LOAD BALANCING ============== 4912.96 LDB: ============== END OF LOAD BALANCING =============== 4912.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4912.96 LDB: ============= START OF LOAD BALANCING ============== 4913.28 LDB: Largest compute 7043 load 0.033422 is 17.1% of average load 0.195394 LDB: Average compute 0.004403 is 2.3% of average load 0.195394 LDB: TIME 4913.28 LOAD: AVG 0.195394 MAX 0.208937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.852 MB LDB: TIME 4913.28 LOAD: AVG 0.195394 MAX 0.208937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.852 MB LDB: TIME 4913.28 LOAD: AVG 0.195394 MAX 0.208937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.852 MB LDB: ============== END OF LOAD BALANCING =============== 4913.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4913.29 PRESSURE: 1528400 45.2964 -95.7445 143.093 -95.7439 -118.025 -114.723 143.094 -114.723 -57.4183 GPRESSURE: 1528400 3.23804 -116.095 106.853 -150.224 15.9711 -128.029 203.252 17.6213 -56.756 PRESSAVG: 1528400 -6.65028 -7.37869 6.45074 -7.37864 45.438 18.6512 6.45078 18.6511 5.82863 GPRESSAVG: 1528400 -7.39338 -8.44313 7.25084 -8.19912 46.3303 20.7337 6.30662 16.9338 5.98928 TIMING: 1528400 CPU: 4901.18, 0.00322862/step Wall: 4901.18, 0.00322862/step, 3.11346 hours remaining, 232.203125 MB of memory in use. ENERGY: 1528400 4017.9181 20447.8807 14463.1935 262.7765 -203309.4477 2298.1331 0.0000 0.0000 51814.0114 -110005.5343 297.7758 -161819.5458 -109645.5986 298.6142 -43.3823 -12.5156 762040.5295 14.8721 14.9754 PRESSURE: 1528600 72.3825 -111.463 189.275 -111.462 -30.1628 270.355 189.275 270.354 200.754 GPRESSURE: 1528600 84.333 -55.9349 185.164 -187.049 57.6529 284.326 116.881 106.335 185.971 PRESSAVG: 1528600 24.9656 -33.9239 -1.07262 -33.9238 -19.726 18.0493 -1.07272 18.0493 16.2182 GPRESSAVG: 1528600 24.2725 -34.1318 -1.40007 -33.0491 -19.955 18.6561 -0.64734 17.1465 17.5138 TIMING: 1528600 CPU: 4901.82, 0.0031659/step Wall: 4901.82, 0.0031659/step, 3.05281 hours remaining, 232.203125 MB of memory in use. ENERGY: 1528600 4023.3840 20357.3328 14475.1886 233.4798 -203410.6997 2513.7392 0.0000 0.0000 52053.9542 -109753.6212 299.1548 -161807.5754 -109394.2720 298.1620 80.9913 109.3190 759348.1853 7.1526 7.2771 PRESSURE: 1528800 -76.3369 -65.8839 37.7613 -65.8827 -74.4625 117.261 37.7612 117.26 239.748 GPRESSURE: 1528800 -31.7782 -6.36031 43.7959 -36.606 12.0296 182.09 -12.2376 243.153 205.716 PRESSAVG: 1528800 25.1203 -18.2235 8.50705 -18.2235 -0.763277 6.69215 8.50709 6.6921 43.7818 GPRESSAVG: 1528800 25.3589 -19.1248 8.63608 -17.6277 -1.66494 5.49583 6.55032 8.48183 43.7609 TIMING: 1528800 CPU: 4902.45, 0.00316069/step Wall: 4902.45, 0.00316069/step, 3.04761 hours remaining, 232.203125 MB of memory in use. ENERGY: 1528800 4070.9973 20491.7005 14433.2965 247.1648 -203337.4576 2455.8734 0.0000 0.0000 51862.5211 -109775.9040 298.0546 -161638.4251 -109415.5966 298.9638 29.6496 61.9891 759273.4819 22.7129 22.4850 PRESSURE: 1529000 -92.1342 70.6278 -147.957 70.6283 -33.3487 30.6192 -147.957 30.6191 88.3925 GPRESSURE: 1529000 -111.382 -21.8043 -220.325 0.563302 19.3995 -36.2707 -146.115 30.3759 134.528 PRESSAVG: 1529000 16.298 -30.4964 2.15146 -30.4964 13.7856 2.86835 2.1515 2.86831 -12.3926 GPRESSAVG: 1529000 15.9639 -29.2574 1.17938 -30.9975 13.0393 0.736185 5.54082 3.39313 -11.4418 TIMING: 1529000 CPU: 4903.08, 0.00316259/step Wall: 4903.08, 0.00316259/step, 3.04926 hours remaining, 232.203125 MB of memory in use. ENERGY: 1529000 3987.5117 20523.0123 14462.6348 223.2617 -203392.3506 2454.7722 0.0000 0.0000 52035.2509 -109705.9069 299.0473 -161741.1578 -109338.2588 299.2292 -12.3635 14.1818 760278.3023 5.8970 5.8538 PRESSURE: 1529200 -207.42 -118.024 -124.93 -118.024 -310.892 137.397 -124.93 137.397 182.218 GPRESSURE: 1529200 -212.54 -143.332 -101.753 -22.7049 -222.02 147.081 -100.054 93.3188 177.9 PRESSAVG: 1529200 43.5367 -5.89751 10.4497 -5.89749 -9.24695 -15.6431 10.4496 -15.643 -15.2714 GPRESSAVG: 1529200 44.1739 -5.24733 10.7749 -7.92937 -8.95125 -14.2702 8.5769 -16.6889 -16.154 TIMING: 1529200 CPU: 4903.72, 0.00318864/step Wall: 4903.72, 0.00318864/step, 3.0742 hours remaining, 232.203125 MB of memory in use. ENERGY: 1529200 4008.9344 20558.2281 14409.4992 221.0509 -202864.0584 2009.4844 0.0000 0.0000 52008.7068 -109648.1545 298.8948 -161656.8612 -109284.7252 299.1653 -112.0311 -85.5534 762011.3349 6.3395 6.3562 PRESSURE: 1529400 84.1052 -183.453 127.498 -183.453 -40.0252 47.289 127.499 47.2889 121.753 GPRESSURE: 1529400 153.163 -150.586 57.719 -134.005 -28.7381 70.1677 216.531 152.096 121.797 PRESSAVG: 1529400 -31.7575 0.474673 -15.1225 0.474664 -33.7127 0.903421 -15.1226 0.903347 -0.857485 GPRESSAVG: 1529400 -31.7435 -0.677803 -15.2034 1.84026 -32.612 1.79162 -16.25 0.403984 -1.55191 TIMING: 1529400 CPU: 4904.35, 0.00315957/step Wall: 4904.35, 0.00315957/step, 3.046 hours remaining, 232.203125 MB of memory in use. ENERGY: 1529400 3949.3489 20467.4261 14501.3986 245.3454 -203280.5457 2396.9865 0.0000 0.0000 52118.9307 -109601.1095 299.5282 -161720.0401 -109231.5993 299.0122 55.2778 82.0739 760437.1797 -22.1092 -21.9691 PRESSURE: 1529600 382.109 -42.2315 41.3828 -42.2312 -51.3721 -138.858 41.3835 -138.859 350.252 GPRESSURE: 1529600 336.211 -35.8225 17.1768 -18.4719 155.996 -185.357 155.249 -85.5428 275.458 PRESSAVG: 1529600 25.3266 -46.2938 -23.8457 -46.2938 -5.44059 -56.2256 -23.8458 -56.2257 -18.6568 GPRESSAVG: 1529600 26.18 -44.8585 -24.9775 -48.063 -6.67914 -56.5799 -22.6688 -54.2122 -18.4733 TIMING: 1529600 CPU: 4904.98, 0.0031692/step Wall: 4904.98, 0.0031692/step, 3.05511 hours remaining, 232.203125 MB of memory in use. ENERGY: 1529600 3972.8515 20443.7377 14450.8321 245.2794 -203196.7975 2342.7216 0.0000 0.0000 52212.9467 -109528.4285 300.0685 -161741.3752 -109168.3809 299.2081 226.9963 255.8881 760595.2934 0.4097 0.3425 PRESSURE: 1529800 -70.7528 -225.739 -162.822 -225.739 -90.9123 -199.165 -162.821 -199.164 -58.9264 GPRESSURE: 1529800 -51.5132 -156.361 -135.265 -36.6796 -77.6733 -233.797 -157.874 -114.673 -1.27062 PRESSAVG: 1529800 9.46783 -41.7519 -16.1027 -41.7518 -60.645 -59.5029 -16.1027 -59.5029 18.8909 GPRESSAVG: 1529800 8.94255 -43.5759 -14.7673 -40.0065 -60.2343 -60.0947 -17.9092 -60.9443 19.076 TIMING: 1529800 CPU: 4905.61, 0.00315521/step Wall: 4905.61, 0.00315521/step, 3.04144 hours remaining, 232.203125 MB of memory in use. ENERGY: 1529800 4009.9198 20466.0381 14418.8863 248.2911 -203057.4022 2185.3450 0.0000 0.0000 52224.7469 -109504.1749 300.1363 -161728.9218 -109149.3703 299.6265 -73.5305 -43.4857 761673.2242 -10.7621 -10.7386 PRESSURE: 1530000 -89.4151 -77.3174 -263.601 -77.3174 -153.546 71.0633 -263.601 71.063 -8.77874 GPRESSURE: 1530000 -68.66 -171.309 -211.336 -29.9961 -75.5536 46.9716 -213.17 207.086 -19.7806 PRESSAVG: 1530000 29.5063 -39.0694 -16.4787 -39.0695 -56.3811 -15.187 -16.4787 -15.187 10.9895 GPRESSAVG: 1530000 29.6352 -39.1635 -16.9382 -39.6914 -56.9728 -16.9182 -14.2729 -13.9174 11.5053 TIMING: 1530000 CPU: 4906.24, 0.00315253/step Wall: 4906.24, 0.00315253/step, 3.03869 hours remaining, 232.203125 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: 1530000 4066.8366 20564.9611 14390.6154 230.1748 -203205.7758 2417.9758 0.0000 0.0000 51861.5413 -109673.6708 298.0490 -161535.2121 -109309.6110 298.9150 -83.9134 -54.6647 760575.1581 -5.2951 -5.2774 PRESSURE: 1530200 -192.984 -190.955 -160.379 -190.955 -196.059 -91.6924 -160.379 -91.6929 120.291 GPRESSURE: 1530200 -117.765 -136.701 -108 -192.008 -149.177 -27.0959 -270.114 -181.956 90.174 PRESSAVG: 1530200 -12.1067 -84.8534 -17.4394 -84.8534 3.46904 8.13935 -17.4394 8.13937 42.9986 GPRESSAVG: 1530200 -12.2867 -84.5889 -15.7342 -83.4183 3.87715 10.3065 -18.0588 5.74487 42.3034 TIMING: 1530200 CPU: 4906.88, 0.00315809/step Wall: 4906.88, 0.00315809/step, 3.04387 hours remaining, 232.203125 MB of memory in use. ENERGY: 1530200 3987.2533 20531.4122 14459.4766 235.3513 -202843.5062 2233.8596 0.0000 0.0000 51723.2185 -109672.9346 297.2540 -161396.1532 -109310.5528 298.5921 -89.5838 -58.9228 761483.6588 11.4537 11.2980 PRESSURE: 1530400 263.993 37.9859 -151.884 37.9863 -60.8166 69.8322 -151.884 69.8316 -330.432 GPRESSURE: 1530400 364.405 -4.19256 -167.277 36.9045 -128.519 61.515 -100.259 -2.88604 -306.932 PRESSAVG: 1530400 -5.01254 -47.0388 35.7561 -47.0388 -33.6811 -35.7591 35.7561 -35.7592 15.9034 GPRESSAVG: 1530400 -4.71471 -46.859 35.6979 -46.1252 -33.962 -35.5042 36.0611 -32.8282 15.8087 TIMING: 1530400 CPU: 4907.5, 0.00313915/step Wall: 4907.5, 0.00313915/step, 3.02545 hours remaining, 232.203125 MB of memory in use. ENERGY: 1530400 4012.4071 20376.3393 14465.7915 231.8574 -203272.9831 2372.1206 0.0000 0.0000 51936.8310 -109877.6362 298.4817 -161814.4672 -109507.3332 298.0668 -42.4187 -23.6820 760185.9882 -7.5967 -7.6227 PRESSURE: 1530600 -277.071 172.181 -8.90433 172.181 249.823 -126.784 -8.90464 -126.785 -32.3449 GPRESSURE: 1530600 -308.647 164.758 27.861 189.53 307.31 -170.781 -7.71434 -84.4277 1.58808 PRESSAVG: 1530600 2.06399 -43.8311 38.7929 -43.8312 -1.70768 -46.2307 38.7929 -46.2307 2.87085 GPRESSAVG: 1530600 2.05669 -42.9544 37.5872 -48.4192 -1.16116 -45.9511 39.064 -47.3224 2.54717 TIMING: 1530600 CPU: 4908.13, 0.00313993/step Wall: 4908.13, 0.00313993/step, 3.02602 hours remaining, 232.203125 MB of memory in use. ENERGY: 1530600 3978.2267 20498.5018 14450.1099 256.9788 -203374.9657 2260.1974 0.0000 0.0000 52051.1623 -109879.7887 299.1387 -161930.9510 -109528.0243 298.7077 -19.8645 0.0839 759954.3900 1.0757 1.1476 PRESSURE: 1530800 78.6967 -60.117 91.7377 -60.1169 -252.77 -23.6698 91.737 -23.6697 -414.968 GPRESSURE: 1530800 157.447 -49.9196 91.8278 6.66889 -296.146 -84.7988 82.5155 82.5771 -366.689 PRESSAVG: 1530800 8.18074 -28.8077 -12.004 -28.8077 -1.64341 -19.2363 -12.004 -19.2364 3.28446 GPRESSAVG: 1530800 7.92369 -29.6644 -11.2715 -26.3936 -1.52189 -18.765 -13.8556 -20.2039 3.23324 TIMING: 1530800 CPU: 4908.76, 0.00315383/step Wall: 4908.76, 0.00315383/step, 3.03924 hours remaining, 232.203125 MB of memory in use. ENERGY: 1530800 4055.3636 20522.7785 14534.7522 258.6776 -203410.7550 2308.2331 0.0000 0.0000 51814.7833 -109916.1667 297.7803 -161730.9500 -109555.4339 298.5658 -196.3471 -168.4625 760010.0875 3.2739 3.2117 PRESSURE: 1531000 174.29 -188.244 4.98028 -188.244 186.057 6.68723 4.98082 6.68663 -429.211 GPRESSURE: 1531000 154.179 -182.661 12.0314 -257.04 339.969 -50.6178 -80.5021 100.787 -485.57 PRESSAVG: 1531000 65.6559 -37.9615 20.8067 -37.9615 -27.3152 3.66901 20.8067 3.66898 -4.83248 GPRESSAVG: 1531000 65.444 -37.6784 21.3262 -34.5042 -28.1072 0.476394 21.56 5.7047 -4.07017 TIMING: 1531000 CPU: 4909.39, 0.00315697/step Wall: 4909.39, 0.00315697/step, 3.04209 hours remaining, 232.203125 MB of memory in use. ENERGY: 1531000 4001.3331 20415.5563 14581.1112 244.2795 -203701.9286 2535.5178 0.0000 0.0000 52115.7379 -109808.3927 299.5099 -161924.1306 -109438.9730 298.9107 -22.9548 2.8591 759830.8809 11.1694 11.0889 PRESSURE: 1531200 -227.19 102.747 56.9268 102.746 -123.683 -20.0018 56.9249 -20.0026 42.8878 GPRESSURE: 1531200 -232.271 27.9021 77.8787 90.5284 -80.7073 75.831 120.427 -90.4818 116.577 PRESSAVG: 1531200 57.0241 -2.30924 7.1053 -2.30919 -61.2946 -14.6813 7.10535 -14.6812 -12.5045 GPRESSAVG: 1531200 57.3944 -3.38891 5.95199 -2.51918 -61.1055 -12.9737 8.80079 -14.4655 -12.9097 TIMING: 1531200 CPU: 4910.03, 0.00315635/step Wall: 4910.03, 0.00315635/step, 3.04132 hours remaining, 232.203125 MB of memory in use. ENERGY: 1531200 3955.8138 20414.4333 14476.9140 248.8687 -202985.1753 1952.2482 0.0000 0.0000 52118.3308 -109818.5665 299.5248 -161936.8973 -109441.5130 298.5874 -102.6618 -65.4673 760305.0013 -5.5917 -5.5403 PRESSURE: 1531400 -33.0937 -164.788 -30.1974 -164.789 -15.8901 60.9683 -30.1984 60.9695 345.517 GPRESSURE: 1531400 44.629 -120.813 -38.1187 -123.112 19.7602 43.3883 -12.4234 52.3281 340.83 PRESSAVG: 1531400 -3.28898 -26.3287 30.0577 -26.3287 -41.2286 25.9251 30.0578 25.9251 4.69423 GPRESSAVG: 1531400 -4.45019 -26.3208 30.0079 -25.1469 -39.7758 24.8866 28.7507 25.9117 4.03139 TIMING: 1531400 CPU: 4910.66, 0.00316076/step Wall: 4910.66, 0.00316076/step, 3.04539 hours remaining, 232.203125 MB of memory in use. ENERGY: 1531400 3963.4944 20434.3247 14525.2470 255.2283 -203265.0718 2315.6947 0.0000 0.0000 52024.4788 -109746.6039 298.9854 -161771.0827 -109379.5935 298.9500 98.8442 135.0731 760093.2620 -13.2745 -13.3982 PRESSURE: 1531600 181.212 -122.125 -55.8293 -122.125 408.44 252.481 -55.8294 252.482 -78.4673 GPRESSURE: 1531600 262.276 13.073 73.5687 -85.9907 378.63 239.2 -28.6641 241.437 -54.0448 PRESSAVG: 1531600 -71.6022 -14.7812 23.7507 -14.7812 60.7676 -8.42854 23.7507 -8.42858 4.55197 GPRESSAVG: 1531600 -72.0706 -13.7011 23.3681 -17.7896 59.4954 -6.39604 24.639 -10.5 6.06261 TIMING: 1531600 CPU: 4911.29, 0.00316308/step Wall: 4911.29, 0.00316308/step, 3.04745 hours remaining, 232.203125 MB of memory in use. ENERGY: 1531600 3916.4936 20483.2769 14501.1375 269.4524 -203705.4006 2363.9385 0.0000 0.0000 52166.9445 -110004.1573 299.8041 -162171.1018 -109640.3828 298.7257 170.3949 195.6206 759500.7029 -2.0942 -2.1709 PRESSURE: 1531800 88.985 -117.927 27.6259 -117.927 141.543 -81.3057 27.6255 -81.3055 -73.5914 GPRESSURE: 1531800 152.861 -134.025 163.037 -79.0756 170.638 -46.4437 -31.9577 33.7993 -56.6007 PRESSAVG: 1531800 5.90812 -53.9311 -11.956 -53.931 44.0584 -6.10839 -11.956 -6.10839 17.2208 GPRESSAVG: 1531800 7.86275 -56.771 -11.6134 -51.5157 43.9531 -4.98139 -12.9738 -2.86673 16.2634 TIMING: 1531800 CPU: 4911.92, 0.00315598/step Wall: 4911.92, 0.00315598/step, 3.04044 hours remaining, 232.203125 MB of memory in use. ENERGY: 1531800 3952.4844 20539.0501 14440.2355 259.6460 -203475.4352 2399.2741 0.0000 0.0000 51897.2389 -109987.5061 298.2541 -161884.7450 -109631.3677 298.4431 52.3121 88.9660 758901.3363 22.3957 22.6931 PRESSURE: 1532000 -55.2056 -8.35092 160.42 -8.3502 -125.155 -3.64316 160.42 -3.64362 -64.5621 GPRESSURE: 1532000 35.7297 92.9238 103.358 39.9133 -94.1675 69.4732 227.339 -110.817 -116.301 PRESSAVG: 1532000 -1.37369 -42.1537 63.2638 -42.1537 -2.91862 -20.3632 63.2638 -20.3632 2.66353 GPRESSAVG: 1532000 -1.97365 -38.2808 62.5609 -44.9901 -2.21176 -21.4832 65.7859 -23.1975 2.48368 TIMING: 1532000 CPU: 4912.55, 0.00315222/step Wall: 4912.55, 0.00315222/step, 3.03663 hours remaining, 232.203125 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: 1532000 3933.8449 20425.2727 14415.1862 241.7720 -203097.7318 2129.3991 0.0000 0.0000 52092.3138 -109859.9430 299.3752 -161952.2568 -109490.0982 298.0745 -81.6408 -58.2463 759834.0787 -0.5429 -0.5672 PRESSURE: 1532200 -350.908 134.252 248.61 134.252 -339.378 -6.60913 248.611 -6.60855 -405.755 GPRESSURE: 1532200 -319.481 118.165 225.961 101.438 -287.844 107.238 250.204 10.3237 -387.97 PRESSAVG: 1532200 11.3621 -53.4162 55.3326 -53.4161 32.6648 1.75211 55.3326 1.75218 -2.82138 GPRESSAVG: 1532200 11.5429 -53.7765 54.3359 -52.6233 31.5679 2.21359 54.5643 2.27453 -1.59576 TIMING: 1532200 CPU: 4913.18, 0.00315565/step Wall: 4913.18, 0.00315565/step, 3.03977 hours remaining, 232.203125 MB of memory in use. ENERGY: 1532200 3977.1226 20647.1542 14369.4860 253.1007 -203028.9121 2213.4424 0.0000 0.0000 51540.0601 -110028.5460 296.2014 -161568.6061 -109671.1118 298.5606 -365.3473 -331.7650 762292.8077 13.7352 13.8383 LDB: ============= START OF LOAD BALANCING ============== 4925.6 LDB: ============== END OF LOAD BALANCING =============== 4925.6 LDB: =============== DONE WITH MIGRATION ================ 4925.61 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 4925.92 LDB: Largest compute 7078 load 0.034903 is 17.9% of average load 0.195412 LDB: Average compute 0.004402 is 2.3% of average load 0.195412 LDB: TIME 4925.92 LOAD: AVG 0.195412 MAX 0.210933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.164 MB LDB: TIME 4925.92 LOAD: AVG 0.195412 MAX 0.210933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.363 MB LDB: TIME 4925.92 LOAD: AVG 0.195412 MAX 0.210933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.363 MB LDB: ============== END OF LOAD BALANCING =============== 4925.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4925.93 PRESSURE: 1532400 -78.8181 -3.05593 124.727 -3.05692 -119.66 -156.318 124.727 -156.317 -572.321 GPRESSURE: 1532400 -16.4352 -66.8574 115.238 -32.7183 -112.277 -129.152 223.333 -75.6772 -567.813 PRESSAVG: 1532400 36.2499 -34.64 -32.3589 -34.64 -30.4646 -41.08 -32.3589 -41.0799 -6.39751 GPRESSAVG: 1532400 36.0117 -35.8723 -30.2311 -34.6747 -28.1813 -43.4067 -33.9625 -38.281 -7.44235 TIMING: 1532400 CPU: 4913.83, 0.00321082/step Wall: 4913.83, 0.00321081/step, 3.09273 hours remaining, 231.566406 MB of memory in use. ENERGY: 1532400 4031.2185 20555.1080 14391.2296 239.9860 -203080.2990 2132.0596 0.0000 0.0000 51680.4749 -110050.2226 297.0084 -161730.6974 -109697.8649 298.2863 -256.9330 -232.1750 760454.5764 -0.2040 0.1294 PRESSURE: 1532600 -78.4241 -12.9128 18.2979 -12.913 -68.7638 -6.33393 18.2978 -6.33297 130.484 GPRESSURE: 1532600 16.7345 133.313 -104.101 -75.4168 -155.844 -25.9931 134.341 -51.977 240.654 PRESSAVG: 1532600 6.13913 -37.7916 -19.5339 -37.7916 -10.3886 -23.3773 -19.5339 -23.3773 21.389 GPRESSAVG: 1532600 6.39989 -37.0247 -18.9452 -39.2241 -10.4495 -21.5175 -20.4624 -27.5037 21.5647 TIMING: 1532600 CPU: 4914.45, 0.00314604/step Wall: 4914.45, 0.00314604/step, 3.03016 hours remaining, 231.566406 MB of memory in use. ENERGY: 1532600 3976.8790 20419.3232 14467.0724 245.3651 -203701.4035 2546.3509 0.0000 0.0000 52059.7815 -109986.6314 299.1883 -162046.4129 -109617.6785 298.4185 -5.5680 33.8481 759575.9969 5.7132 5.8383 PRESSURE: 1532800 -274.152 -0.680403 130.893 -0.680613 29.5938 25.1858 130.894 25.1856 267.353 GPRESSURE: 1532800 -262.298 -42.116 119.841 0.908339 54.8013 -47.6483 35.0084 170.303 341.29 PRESSAVG: 1532800 -63.814 -64.0227 0.559148 -64.0227 22.0899 -16.0301 0.559211 -16.0301 18.8479 GPRESSAVG: 1532800 -63.7531 -64.2979 0.626006 -63.6162 21.7887 -17.3233 0.725165 -12.7913 20.0175 TIMING: 1532800 CPU: 4915.08, 0.00313149/step Wall: 4915.08, 0.00313149/step, 3.01598 hours remaining, 231.566406 MB of memory in use. ENERGY: 1532800 3979.0635 20517.8554 14434.6009 238.3392 -203484.0924 2565.9244 0.0000 0.0000 51839.7417 -109908.5674 297.9237 -161748.3091 -109546.0096 298.5859 7.5981 44.5980 759402.9139 -7.6254 -7.3156 PRESSURE: 1533000 -104.655 66.6106 -211.469 66.6102 -89.2309 40.9724 -211.469 40.971 -378.363 GPRESSURE: 1533000 -41.2544 -24.4861 -223.745 72.0462 -135.19 68.9276 -170.906 133.161 -292.283 PRESSAVG: 1533000 33.2616 -26.5677 -4.41479 -26.5677 5.36677 -2.18582 -4.41475 -2.18582 -5.27638 GPRESSAVG: 1533000 33.7231 -28.0747 -4.37755 -26.6426 5.84615 -2.0266 -5.84014 -1.88045 -6.23423 TIMING: 1533000 CPU: 4915.71, 0.00312353/step Wall: 4915.71, 0.00312353/step, 3.00814 hours remaining, 231.566406 MB of memory in use. ENERGY: 1533000 3990.3012 20416.8808 14407.7790 242.9232 -203143.6627 2367.5552 0.0000 0.0000 52015.1493 -109703.0740 298.9318 -161718.2233 -109342.3690 298.9106 -190.7495 -156.2426 760524.0798 11.1173 11.1117 PRESSURE: 1533200 220.853 -198.649 215.104 -198.65 -117.323 57.0034 215.104 57.0042 263.101 GPRESSURE: 1533200 192.468 -177.981 252.629 -246.182 -108.096 25.0714 116.877 -16.6067 357.914 PRESSAVG: 1533200 -4.63225 -27.6076 63.5655 -27.6077 3.27953 14.9258 63.5656 14.9257 -11.7646 GPRESSAVG: 1533200 -4.26148 -25.6935 62.1936 -27.1125 3.10842 14.9158 65.7866 11.6368 -12.2072 TIMING: 1533200 CPU: 4916.33, 0.00311277/step Wall: 4916.33, 0.00311277/step, 2.9976 hours remaining, 231.566406 MB of memory in use. ENERGY: 1533200 3918.4971 20544.2174 14450.2715 255.1682 -203275.3835 2480.4847 0.0000 0.0000 52088.5794 -109538.1651 299.3538 -161626.7445 -109180.1293 299.0298 122.2102 147.4289 760079.3735 -4.3724 -4.4534 PRESSURE: 1533400 221.162 -77.6414 145.108 -77.6412 51.369 -146.796 145.107 -146.796 101.504 GPRESSURE: 1533400 161.164 -56.9074 155.07 31.2692 166.906 -94.1182 92.5697 -118.019 142.01 PRESSAVG: 1533400 -23.9057 -14.0981 -14.9172 -14.0981 54.0327 -4.97813 -14.9173 -4.97813 12.8507 GPRESSAVG: 1533400 -24.2457 -14.5612 -15.5274 -14.3975 54.4448 -3.79222 -13.8391 -3.97273 12.8903 TIMING: 1533400 CPU: 4916.95, 0.00312417/step Wall: 4916.95, 0.00312417/step, 3.0084 hours remaining, 231.566406 MB of memory in use. ENERGY: 1533400 3899.0259 20526.8279 14507.0221 262.6995 -203565.6590 2478.6990 0.0000 0.0000 52254.8184 -109636.5661 300.3092 -161891.3845 -109270.8966 299.2612 124.6786 156.6931 758658.4959 14.3259 14.3632 PRESSURE: 1533600 -54.8518 24.7723 -30.727 24.7726 95.8158 31.5141 -30.727 31.5135 77.2799 GPRESSURE: 1533600 70.5112 40.0884 -40.5667 37.3655 51.641 74.3892 -126.067 -25.1106 81.6249 PRESSAVG: 1533600 -49.4913 -19.5624 73.3614 -19.5624 50.9414 -24.0091 73.3614 -24.0092 11.3996 GPRESSAVG: 1533600 -48.8119 -21.7647 75.5988 -18.2165 49.8843 -24.2466 70.4989 -22.7433 12.3192 TIMING: 1533600 CPU: 4917.58, 0.00313365/step Wall: 4917.58, 0.00313365/step, 3.01735 hours remaining, 231.566406 MB of memory in use. ENERGY: 1533600 3984.8614 20452.8395 14423.4771 246.1705 -203345.5926 2432.9270 0.0000 0.0000 52043.2772 -109762.0400 299.0934 -161805.3171 -109406.1873 298.9687 39.4146 67.9257 760707.7656 4.2833 4.4639 PRESSURE: 1533800 -181.057 180.599 46.3473 180.598 -268.4 -107.871 46.3473 -107.872 71.3247 GPRESSURE: 1533800 -64.6549 146.421 47.5003 105.017 -352.583 -154.582 44.0014 -101.671 98.8949 PRESSAVG: 1533800 -11.7858 -24.3763 7.23579 -24.3763 62.7186 -18.9063 7.23578 -18.9064 -2.01372 GPRESSAVG: 1533800 -12.0597 -23.4355 6.47487 -24.5272 63.1304 -19.0235 7.97581 -18.839 -2.32801 TIMING: 1533800 CPU: 4918.21, 0.00313173/step Wall: 4918.21, 0.00313173/step, 3.01534 hours remaining, 231.566406 MB of memory in use. ENERGY: 1533800 3903.6043 20532.3371 14439.5815 235.9344 -203421.8378 2398.9678 0.0000 0.0000 51849.0181 -110062.3946 297.9770 -161911.4127 -109704.3014 298.3452 -126.0443 -106.1145 760395.9293 16.3063 16.2476 PRESSURE: 1534000 147.576 4.39507 137.128 4.39592 -11.7372 179.603 137.129 179.602 -255.569 GPRESSURE: 1534000 228.066 32.3431 179.651 150.698 42.6928 190.439 73.5829 236.729 -283.67 PRESSAVG: 1534000 -43.6179 2.69822 21.6623 2.69821 6.34102 -23.38 21.6623 -23.3801 16.6022 GPRESSAVG: 1534000 -42.5367 2.47776 21.4284 2.87276 5.34775 -22.6768 19.7963 -22.7972 16.436 TIMING: 1534000 CPU: 4918.84, 0.0031521/step Wall: 4918.84, 0.0031521/step, 3.03478 hours remaining, 231.566406 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: 1534000 3888.9730 20407.6458 14415.0044 261.0568 -203497.9151 2500.3917 0.0000 0.0000 51980.8376 -110044.0057 298.7346 -162024.8432 -109674.9124 298.5232 -39.9100 -4.3038 759908.5018 -6.8916 -6.9176 PRESSURE: 1534200 -246.287 -4.70829 -54.8839 -4.70832 -308.611 -138.617 -54.8838 -138.617 -92.863 GPRESSURE: 1534200 -260.341 -31.8874 -146.242 -64.1119 -202.67 -44.9272 33.677 -258.37 -75.5627 PRESSAVG: 1534200 28.3837 -18.485 15.0842 -18.4851 36.6904 -32.6351 15.0841 -32.6351 4.34392 GPRESSAVG: 1534200 26.8907 -17.3116 13.9948 -20.4231 37.63 -34.6455 18.1226 -34.023 4.90438 TIMING: 1534200 CPU: 4919.46, 0.00313851/step Wall: 4919.46, 0.00313851/step, 3.02152 hours remaining, 231.566406 MB of memory in use. ENERGY: 1534200 4087.2321 20260.6082 14453.2766 248.0191 -203615.0815 2379.8424 0.0000 0.0000 52201.0871 -109985.0160 300.0004 -162186.1031 -109627.1944 298.6448 -215.9204 -179.5247 760639.9468 23.1394 23.1417 PRESSURE: 1534400 -190.801 41.6822 -311.159 41.6817 341.01 94.5866 -311.159 94.586 260.626 GPRESSURE: 1534400 -66.2808 7.83435 -279.614 -34.3979 244.323 -10.6061 -266.768 87.3673 307.867 PRESSAVG: 1534400 -33.7585 -62.6124 -56.5888 -62.6123 15.8338 -20.0311 -56.5887 -20.0312 -7.92203 GPRESSAVG: 1534400 -32.5043 -63.5193 -55.7502 -62.687 16.0528 -19.4248 -57.6023 -21.3922 -8.64651 TIMING: 1534400 CPU: 4920.09, 0.00313226/step Wall: 4920.09, 0.00313226/step, 3.01533 hours remaining, 231.566406 MB of memory in use. ENERGY: 1534400 3985.9884 20363.1297 14479.0039 233.6043 -203216.5897 2176.6772 0.0000 0.0000 51945.7662 -110032.4199 298.5330 -161978.1861 -109666.4557 298.2395 136.9449 161.9695 758866.3363 -8.6156 -8.3660 PRESSURE: 1534600 9.11167 -63.2812 61.7548 -63.2814 -145.41 -226.77 61.7546 -226.771 -42.0521 GPRESSURE: 1534600 75.8035 -15.4039 -42.7884 -4.63299 -126.08 -307.132 126.411 -144.579 -58.1713 PRESSAVG: 1534600 33.2811 16.7725 3.15671 16.7725 -3.03453 55.412 3.15665 55.4121 1.48845 GPRESSAVG: 1534600 33.6561 17.0152 3.14062 18.7116 -3.72828 55.2024 2.506 57.9792 2.03311 TIMING: 1534600 CPU: 4920.72, 0.00313872/step Wall: 4920.72, 0.00313872/step, 3.02137 hours remaining, 231.566406 MB of memory in use. ENERGY: 1534600 4005.5567 20516.7189 14390.0462 236.4623 -203548.8447 2207.3622 0.0000 0.0000 52029.2463 -110163.4519 299.0128 -162192.6983 -109807.1858 297.9850 -59.4501 -36.1492 757958.9677 10.5783 10.6537 PRESSURE: 1534800 -121.47 24.9392 201.767 24.9388 -406.675 117.672 201.767 117.672 -51.6215 GPRESSURE: 1534800 -143.539 89.0946 267.992 18.618 -304.838 29.7213 281.972 25.7982 -38.7113 PRESSAVG: 1534800 -14.3677 -11.2457 45.1493 -11.2458 -22.4848 -18.2338 45.1493 -18.2337 4.12115 GPRESSAVG: 1534800 -16.6016 -9.33674 43.1761 -11.4264 -21.1797 -17.7613 45.7648 -16.9011 4.55009 TIMING: 1534800 CPU: 4921.35, 0.00315731/step Wall: 4921.35, 0.00315731/step, 3.03908 hours remaining, 231.566406 MB of memory in use. ENERGY: 1534800 3978.3032 20447.0367 14364.7493 252.1808 -203196.4885 2222.5640 0.0000 0.0000 52126.3660 -109805.2885 299.5709 -161931.6544 -109435.2355 298.7375 -193.2557 -162.3627 760837.8072 -10.9105 -11.0771 PRESSURE: 1535000 168.558 263.346 89.7795 263.345 42.205 105.761 89.7793 105.761 270.832 GPRESSURE: 1535000 196.734 213.887 48.683 249.324 56.7476 144.867 -78.1267 -42.5535 316.195 PRESSAVG: 1535000 42.7016 -24.4142 -17.7686 -24.4142 -31.5928 20.547 -17.7686 20.547 -15.1115 GPRESSAVG: 1535000 43.9722 -24.9984 -16.2531 -25.9461 -33.754 20.0913 -15.3616 17.8799 -14.3565 TIMING: 1535000 CPU: 4921.98, 0.00315029/step Wall: 4921.98, 0.00315029/step, 3.03215 hours remaining, 231.566406 MB of memory in use. ENERGY: 1535000 3925.4184 20514.6285 14370.5796 237.9125 -203365.8994 2336.3637 0.0000 0.0000 51996.2702 -109984.7265 298.8233 -161980.9967 -109614.7637 298.8247 160.5316 189.8923 759027.6091 -1.3342 -1.3794 PRESSURE: 1535200 48.18 -129.844 -14.7044 -129.845 11.2438 90.701 -14.7045 90.7006 -53.8711 GPRESSURE: 1535200 22.1994 -173.611 49.2581 -133.249 45.9768 169.284 -130.326 96.4864 26.969 PRESSAVG: 1535200 39.8951 28.6476 33.7839 28.6476 -2.38127 24.5619 33.7838 24.5618 16.639 GPRESSAVG: 1535200 39.3945 26.1683 32.3314 28.9202 -1.30094 24.3812 32.0407 24.5026 15.6997 TIMING: 1535200 CPU: 4922.61, 0.00312615/step Wall: 4922.61, 0.00312615/step, 3.00874 hours remaining, 231.566406 MB of memory in use. ENERGY: 1535200 3953.8389 20544.1205 14463.6796 254.1248 -203698.8334 2606.5379 0.0000 0.0000 52050.8621 -109825.6698 299.1370 -161876.5318 -109465.8977 298.8078 1.8509 31.7151 758401.1077 18.0510 17.9311 PRESSURE: 1535400 -155.351 -53.9687 94.5618 -53.968 -438.487 -82.7906 94.5619 -82.7903 79.5251 GPRESSURE: 1535400 -73.2231 -72.4571 11.9192 -102.287 -465.956 -149.841 196.42 -124.975 124.787 PRESSAVG: 1535400 4.24068 26.4378 45.5242 26.4378 -27.782 -28.4181 45.5242 -28.4181 -16.2289 GPRESSAVG: 1535400 3.04501 29.5622 44.4631 25.5965 -26.8218 -29.0893 46.9424 -28.3084 -15.8903 TIMING: 1535400 CPU: 4923.24, 0.00315571/step Wall: 4923.24, 0.00315571/step, 3.03702 hours remaining, 231.566406 MB of memory in use. ENERGY: 1535400 3978.5295 20548.3958 14472.3385 241.2460 -203876.9271 2517.4868 0.0000 0.0000 52284.4182 -109834.5122 300.4793 -162118.9305 -109478.1054 299.0598 -171.4377 -138.1306 759150.2825 -13.2567 -13.2224 PRESSURE: 1535600 152.622 56.762 55.7153 56.7624 151.938 -34.5323 55.7148 -34.5309 451.054 GPRESSURE: 1535600 307.231 -25.3198 52.4431 14.2486 111.439 -9.12712 37.4482 -43.4416 422.178 PRESSAVG: 1535600 3.36166 -1.58162 65.7307 -1.58166 -4.98204 -57.1195 65.7307 -57.1196 -2.96143 GPRESSAVG: 1535600 5.76516 -4.48077 68.0997 0.427669 -7.45343 -55.3301 62.4439 -56.3438 -2.62691 TIMING: 1535600 CPU: 4923.87, 0.00314309/step Wall: 4923.87, 0.00314309/step, 3.0247 hours remaining, 231.566406 MB of memory in use. ENERGY: 1535600 3979.3532 20590.8063 14392.6055 237.3560 -203741.4650 2596.4616 0.0000 0.0000 51954.6857 -109990.1968 298.5843 -161944.8824 -109630.9687 298.9489 251.8711 280.2828 758562.6246 -1.5273 -1.4384 PRESSURE: 1535800 -40.6966 166.804 44.6034 166.804 -438.745 -88.7701 44.603 -88.7701 183.526 GPRESSURE: 1535800 -48.6704 91.72 82.8538 217.235 -359.838 -125.349 -105.598 -99.5262 187.123 PRESSAVG: 1535800 18.7967 -70.1693 26.1736 -70.1694 -3.4841 -0.417776 26.1736 -0.417754 31.4933 GPRESSAVG: 1535800 17.5209 -70.6014 26.5669 -68.4656 -2.6582 0.00981213 25.6726 0.177931 31.6383 TIMING: 1535800 CPU: 4924.5, 0.00316062/step Wall: 4924.5, 0.00316062/step, 3.04139 hours remaining, 231.566406 MB of memory in use. ENERGY: 1535800 4034.1123 20462.7525 14513.1239 245.3036 -203440.5376 2488.2310 0.0000 0.0000 52035.3724 -109661.6418 299.0480 -161697.0142 -109299.8017 299.3032 -98.6387 -73.7951 760941.3876 15.6020 15.5003 PRESSURE: 1536000 57.8081 -62.7783 90.531 -62.7777 -98.4329 68.0901 90.5303 68.0896 -332.47 GPRESSURE: 1536000 30.1944 18.974 37.6889 -61.1587 -63.3701 9.12504 21.1693 62.2754 -251.455 PRESSAVG: 1536000 20.4283 -33.2331 17.9114 -33.2331 -18.8259 -22.3322 17.9115 -22.3321 4.44604 GPRESSAVG: 1536000 20.4191 -30.695 17.8275 -35.8427 -18.1807 -24.4177 19.8194 -22.4466 3.70472 TIMING: 1536000 CPU: 4925.13, 0.00315816/step Wall: 4925.13, 0.00315816/step, 3.03886 hours remaining, 231.566406 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: 1536000 3994.3878 20590.3293 14407.6531 252.6981 -203343.7037 2551.0271 0.0000 0.0000 51993.8126 -109553.7957 298.8092 -161547.6084 -109199.2445 299.3129 -124.3649 -94.8770 760567.8721 2.0162 1.9811 PRESSURE: 1536200 36.4536 342.174 -52.6848 342.174 -335.241 132.172 -52.6848 132.172 -179.082 GPRESSURE: 1536200 21.4848 311.6 -9.47812 244.175 -240.27 -46.0495 46.7225 199.296 -151.133 PRESSAVG: 1536200 10.0794 24.3921 31.103 24.3922 9.32969 3.86069 31.1031 3.86072 11.6591 GPRESSAVG: 1536200 11.4283 23.723 30.9352 24.5944 7.94697 5.47821 30.3261 2.7854 11.5435 TIMING: 1536200 CPU: 4925.76, 0.00315985/step Wall: 4925.76, 0.00315985/step, 3.0403 hours remaining, 231.566406 MB of memory in use. ENERGY: 1536200 4051.2078 20416.3058 14465.8043 243.4675 -203298.2112 2535.2560 0.0000 0.0000 52103.5693 -109482.6005 299.4399 -161586.1698 -109128.4076 299.1722 -159.2898 -123.3059 759436.6499 10.3561 10.3062 LDB: ============= START OF LOAD BALANCING ============== 4938.18 LDB: ============== END OF LOAD BALANCING =============== 4938.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4938.18 LDB: ============= START OF LOAD BALANCING ============== 4938.5 LDB: Largest compute 7044 load 0.033451 is 17.1% of average load 0.195342 LDB: Average compute 0.004399 is 2.3% of average load 0.195342 LDB: TIME 4938.5 LOAD: AVG 0.195342 MAX 0.211048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.73 MB LDB: TIME 4938.5 LOAD: AVG 0.195342 MAX 0.211048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: TIME 4938.5 LOAD: AVG 0.195342 MAX 0.211048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: ============== END OF LOAD BALANCING =============== 4938.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4938.51 PRESSURE: 1536400 77.681 -150.617 -55.9616 -150.616 3.97174 -25.304 -55.961 -25.3025 -54.001 GPRESSURE: 1536400 10.7513 -279.437 -22.187 -219.902 24.1963 45.3897 98.3153 4.76837 97.0473 PRESSAVG: 1536400 44.4123 -18.9066 35.8002 -18.9065 11.7471 4.4749 35.8002 4.47494 -26.1478 GPRESSAVG: 1536400 42.8617 -20.1706 35.7167 -16.332 12.2742 4.82711 36.2639 4.04486 -25.4602 TIMING: 1536400 CPU: 4926.41, 0.00322257/step Wall: 4926.41, 0.00322257/step, 3.10047 hours remaining, 231.753906 MB of memory in use. ENERGY: 1536400 3944.5668 20649.3703 14401.1064 263.0021 -203227.3173 2435.6448 0.0000 0.0000 52077.5453 -109456.0817 299.2904 -161533.6270 -109093.2202 299.3446 9.2173 43.9983 760572.6677 10.0039 9.8919 PRESSURE: 1536600 -152.541 -126.425 11.5774 -126.425 70.4503 116.681 11.5769 116.681 -159.665 GPRESSURE: 1536600 -58.0837 -59.7254 46.4835 -166.662 25.6232 109.051 -117.296 204.788 -103.038 PRESSAVG: 1536600 17.5483 0.229326 -43.1385 0.229311 8.7069 28.7287 -43.1385 28.7287 11.6438 GPRESSAVG: 1536600 16.8184 0.935133 -42.4419 -0.919257 9.53709 29.0149 -42.576 29.6412 11.2414 TIMING: 1536600 CPU: 4927.03, 0.00313793/step Wall: 4927.03, 0.00313793/step, 3.01887 hours remaining, 231.957031 MB of memory in use. ENERGY: 1536600 3998.4709 20579.2523 14451.1327 245.4097 -203281.5675 2549.0580 0.0000 0.0000 52241.8499 -109216.3940 300.2346 -161458.2439 -108855.5984 299.5660 -80.5855 -45.1661 760148.3082 12.6330 12.5323 PRESSURE: 1536800 -187.677 -58.4822 -223.223 -58.4827 -56.1848 -240.332 -223.224 -240.332 -236.43 GPRESSURE: 1536800 -59.3938 -68.6618 -208.789 -15.919 -49.422 -183.573 -265.245 -176.516 -297.812 PRESSAVG: 1536800 3.84744 -55.1995 22.363 -55.1995 7.31168 -67.0969 22.363 -67.0968 -7.88239 GPRESSAVG: 1536800 5.12047 -55.7795 22.7177 -55.5418 7.31764 -68.6455 21.9652 -66.4596 -8.94493 TIMING: 1536800 CPU: 4927.66, 0.0031392/step Wall: 4927.66, 0.0031392/step, 3.01991 hours remaining, 231.957031 MB of memory in use. ENERGY: 1536800 3949.1337 20657.0542 14479.4938 226.8375 -202882.2937 2189.8438 0.0000 0.0000 52122.5008 -109257.4298 299.5487 -161379.9307 -108902.3690 299.6507 -160.0971 -135.5426 761164.3559 1.0922 1.1644 PRESSURE: 1537000 -84.203 6.46013 163.675 6.45974 8.97266 47.601 163.675 47.6005 -9.26993 GPRESSURE: 1537000 -53.5678 108.483 113.647 -4.24629 22.0413 62.264 38.2325 34.1194 14.7445 PRESSAVG: 1537000 63.0763 -5.109 47.3464 -5.10902 -61.2346 -4.21153 47.3464 -4.21157 28.211 GPRESSAVG: 1537000 62.4375 -4.97908 46.5992 -5.46731 -62.1899 -3.51713 48.3905 -6.37998 30.0856 TIMING: 1537000 CPU: 4928.29, 0.00313004/step Wall: 4928.29, 0.00313004/step, 3.01092 hours remaining, 231.957031 MB of memory in use. ENERGY: 1537000 4075.4452 20595.2821 14433.7426 254.5368 -203387.5615 2519.4344 0.0000 0.0000 52136.1846 -109372.9356 299.6274 -161509.1202 -109004.4612 299.4958 -28.1667 -5.5940 760259.9709 10.0176 10.1111 PRESSURE: 1537200 280.851 -1.81616 -31.6784 -1.8164 -149.828 -184.326 -31.678 -184.325 95.7068 GPRESSURE: 1537200 349.671 92.0577 -28.7175 2.88414 -126.534 -192.346 -44.8791 -78.6174 68.6324 PRESSAVG: 1537200 31.2979 -67.0815 -12.8376 -67.0814 -68.6909 34.886 -12.8377 34.886 1.3756 GPRESSAVG: 1537200 32.1205 -66.7603 -12.3932 -65.5224 -68.0511 35.7776 -13.9667 34.3613 0.189229 TIMING: 1537200 CPU: 4928.91, 0.00312932/step Wall: 4928.91, 0.00312932/step, 3.01006 hours remaining, 231.957031 MB of memory in use. ENERGY: 1537200 3911.5873 20587.4947 14499.3700 237.9822 -203210.9361 2566.3356 0.0000 0.0000 52119.4511 -109288.7153 299.5312 -161408.1664 -108930.2757 299.0701 75.5765 97.2565 760944.4766 -12.0058 -11.9138 PRESSURE: 1537400 236.863 -66.1711 192.491 -66.1708 -82.7065 168.298 192.49 168.297 123.645 GPRESSURE: 1537400 224.354 4.42566 164.154 -107.268 -49.3941 169.868 106.294 164.932 183.925 PRESSAVG: 1537400 20.9579 -43.1092 4.47484 -43.1093 -30.5478 -61.3176 4.47484 -61.3175 -10.9577 GPRESSAVG: 1537400 19.4424 -42.4701 3.43647 -44.9623 -29.9099 -62.6118 3.87975 -58.4102 -9.78128 TIMING: 1537400 CPU: 4929.55, 0.00317715/step Wall: 4929.55, 0.00317715/step, 3.05589 hours remaining, 231.957031 MB of memory in use. ENERGY: 1537400 3948.5911 20724.7297 14371.0353 261.2344 -203222.5039 2439.3937 0.0000 0.0000 52242.7211 -109234.7986 300.2396 -161477.5197 -108871.9241 299.5980 92.6008 119.6285 761313.6519 -6.8492 -6.7496 PRESSURE: 1537600 271.512 87.2748 107.71 87.2754 335.396 120.909 107.71 120.909 254.089 GPRESSURE: 1537600 395.973 33.9122 124.062 26.4843 279.471 127.237 206.637 39.1022 268.766 PRESSAVG: 1537600 7.30492 28.9741 36.2724 28.9741 -31.8937 43.754 36.2724 43.7541 21.3475 GPRESSAVG: 1537600 8.94157 29.2347 38.7123 29.9522 -32.4748 43.7794 35.7797 42.9677 19.9941 TIMING: 1537600 CPU: 4930.18, 0.00314341/step Wall: 4930.18, 0.00314341/step, 3.02326 hours remaining, 231.957031 MB of memory in use. ENERGY: 1537600 3942.6085 20622.2270 14444.9106 230.8551 -203504.4203 2711.6948 0.0000 0.0000 52178.8409 -109373.2834 299.8725 -161552.1243 -109012.0323 299.1964 286.9988 314.7364 762617.6488 -1.0804 -1.1797 PRESSURE: 1537800 -176.709 -61.8817 -149.448 -61.8828 -19.012 -76.6802 -149.448 -76.6811 -122.304 GPRESSURE: 1537800 -126.233 -74.7566 -158.955 -53.8913 56.9581 -64.9523 -147.908 33.7528 -179.827 PRESSAVG: 1537800 38.9696 16.0254 29.7266 16.0254 -40.8392 53.8758 29.7266 53.8757 21.7306 GPRESSAVG: 1537800 38.3747 15.5355 27.4307 14.1974 -41.3379 53.4806 30.6589 55.0014 22.3476 TIMING: 1537800 CPU: 4930.8, 0.00313941/step Wall: 4930.8, 0.00313941/step, 3.01924 hours remaining, 231.957031 MB of memory in use. ENERGY: 1537800 3924.3117 20644.4777 14459.5840 232.1858 -203026.6700 2186.5020 0.0000 0.0000 52151.1842 -109428.4247 299.7136 -161579.6089 -109061.9187 299.2400 -106.0083 -83.0341 763144.6503 6.6203 6.4614 PRESSURE: 1538000 -306.907 92.5253 78.9772 92.525 153.48 403.599 78.9771 403.599 25.851 GPRESSURE: 1538000 -292.338 78.1315 124.333 113.759 240.24 349.754 0.611446 277.782 2.41347 PRESSAVG: 1538000 -31.4197 67.1426 11.67 67.1426 33.025 10.0003 11.6701 10.0003 -3.8539 GPRESSAVG: 1538000 -31.7815 66.9253 13.0678 68.3608 33.4501 10.8018 11.5767 7.06352 -3.77757 TIMING: 1538000 CPU: 4931.43, 0.00313325/step Wall: 4931.43, 0.00313325/step, 3.01314 hours remaining, 231.957031 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: 1538000 3966.6018 20726.3407 14409.9486 229.3943 -203038.2469 2230.8100 0.0000 0.0000 51817.6418 -109657.5098 297.7967 -161475.1516 -109304.2609 298.9334 -42.5253 -16.5617 760069.8115 -0.7496 -0.7030 PRESSURE: 1538200 -91.1625 -111.053 215.252 -111.053 -312.632 -91.3602 215.253 -91.3614 -121.828 GPRESSURE: 1538200 5.58856 -107.911 124.055 -37.2636 -389.511 -32.0245 171.741 -18.2089 -55.5822 PRESSAVG: 1538200 2.51852 10.968 21.5007 10.968 15.4838 -16.5198 21.5007 -16.5198 0.328025 GPRESSAVG: 1538200 1.46724 12.4249 21.9072 11.2274 15.9389 -15.8398 18.8124 -16.2294 1.36308 TIMING: 1538200 CPU: 4932.06, 0.00312624/step Wall: 4932.06, 0.00312624/step, 3.00622 hours remaining, 231.957031 MB of memory in use. ENERGY: 1538200 4059.6592 20577.6657 14404.7985 232.0851 -203328.0454 2359.3478 0.0000 0.0000 51917.9710 -109776.5181 298.3733 -161694.4891 -109413.5372 299.2936 -175.2075 -146.5014 760080.0454 6.1101 6.2564 PRESSURE: 1538400 109.34 24.5551 -184.455 24.5554 27.7637 -116.797 -184.454 -116.797 -120.246 GPRESSURE: 1538400 142.59 -7.83077 -110.692 -237.864 141.111 -198.794 -258.589 23.6151 -170.279 PRESSAVG: 1538400 17.3668 -31.3073 37.8484 -31.3073 -37.7488 -17.8411 37.8485 -17.8411 7.31713 GPRESSAVG: 1538400 19.2565 -33.4099 35.029 -33.2893 -38.1278 -18.8305 42.2406 -15.6194 5.4617 TIMING: 1538400 CPU: 4932.69, 0.00318599/step Wall: 4932.69, 0.00318599/step, 3.0635 hours remaining, 231.957031 MB of memory in use. ENERGY: 1538400 3995.0859 20580.4707 14367.2182 252.8746 -203737.2424 2542.0775 0.0000 0.0000 52134.4035 -109865.1119 299.6171 -161999.5154 -109512.9914 298.7787 5.6193 37.8071 758289.2370 -4.3550 -4.4699 PRESSURE: 1538600 103.872 35.5577 39.1575 35.5578 -269.707 47.1199 39.1581 47.1188 109.474 GPRESSURE: 1538600 175.415 -23.7321 -25.7153 159.789 -92.1727 66.0436 -46.7582 -107.774 -50.0006 PRESSAVG: 1538600 54.5989 -8.72607 -54.4668 -8.72604 -36.0626 -30.7775 -54.4667 -30.7775 32.1407 GPRESSAVG: 1538600 54.0559 -10.3984 -53.5315 -5.42282 -35.9054 -31.031 -56.1076 -32.8606 32.8768 TIMING: 1538600 CPU: 4933.33, 0.00315985/step Wall: 4933.33, 0.00315985/step, 3.0382 hours remaining, 231.957031 MB of memory in use. ENERGY: 1538600 3858.4078 20466.9303 14447.9651 255.4340 -203397.3120 2504.7650 0.0000 0.0000 51938.8407 -109924.9692 298.4932 -161863.8098 -109558.3839 298.0898 -18.7871 11.0807 758880.4247 16.8923 17.0091 PRESSURE: 1538800 207.378 -157.444 160.113 -157.443 -31.9003 -33.1348 160.113 -33.1342 159.719 GPRESSURE: 1538800 203.286 -128.164 146.29 -73.8053 15.0504 -41.5143 -9.29101 -58.95 219.986 PRESSAVG: 1538800 -31.8027 33.0565 -11.1211 33.0564 40.7477 -34.0876 -11.1212 -34.0877 7.62771 GPRESSAVG: 1538800 -32.4108 37.7473 -9.27731 32.723 40.9136 -34.4715 -10.5528 -33.5616 8.44328 TIMING: 1538800 CPU: 4933.95, 0.00314524/step Wall: 4933.95, 0.00314524/step, 3.02398 hours remaining, 231.957031 MB of memory in use. ENERGY: 1538800 4013.7108 20612.8203 14457.4587 246.8615 -203597.5125 2555.1907 0.0000 0.0000 51861.7864 -109849.6840 298.0504 -161711.4705 -109491.7637 298.1226 111.7322 146.1074 759493.5618 5.5242 5.6487 PRESSURE: 1539000 288.256 155.264 256.553 155.264 93.5885 141.801 256.553 141.8 507.314 GPRESSURE: 1539000 369.377 67.4917 289.34 182.153 149.591 58.8041 165.913 191.091 499.409 PRESSAVG: 1539000 -3.47408 11.9361 8.74346 11.9361 15.5588 -49.8082 8.74343 -49.8082 4.63011 GPRESSAVG: 1539000 -1.90793 11.4987 6.13242 12.717 15.3162 -49.1713 9.01199 -49.1453 3.44447 TIMING: 1539000 CPU: 4934.59, 0.00317216/step Wall: 4934.59, 0.00317216/step, 3.04968 hours remaining, 231.957031 MB of memory in use. ENERGY: 1539000 3948.6067 20473.8170 14456.6103 234.0049 -203870.4698 2781.0645 0.0000 0.0000 52047.4559 -109928.9104 299.1174 -161976.3663 -109553.5106 298.4124 296.3863 339.4591 759094.7030 5.5716 5.6176 PRESSURE: 1539200 289.909 -45.2484 -302.291 -45.2486 -162.787 -181.132 -302.291 -181.133 -440.066 GPRESSURE: 1539200 180.78 -125.336 -293.129 -40.555 -74.0114 -219.865 -180.826 -160.964 -342.068 PRESSAVG: 1539200 30.4929 3.17791 -2.48102 3.17789 -50.2943 -21.1265 -2.48099 -21.1266 -11.585 GPRESSAVG: 1539200 28.5798 0.59543 -1.24762 3.12119 -50.5497 -22.1335 -4.07197 -20.6139 -10.1737 TIMING: 1539200 CPU: 4935.22, 0.00316959/step Wall: 4935.22, 0.00316959/step, 3.04704 hours remaining, 231.957031 MB of memory in use. ENERGY: 1539200 3928.7687 20557.8644 14427.8169 248.5554 -203375.4739 2258.1511 0.0000 0.0000 51840.3602 -110113.9573 297.9273 -161954.3174 -109748.1156 298.3073 -104.3145 -78.4328 758247.9838 -10.4622 -10.7145 PRESSURE: 1539400 -183.963 389.019 75.7465 389.019 -92.1729 105.136 75.7466 105.136 -345.879 GPRESSURE: 1539400 -88.3136 335.991 -17.6608 452.532 -127.419 20.2639 -27.2201 218.671 -337.22 PRESSAVG: 1539400 17.422 20.121 -13.7609 20.121 -12.7352 27.6483 -13.7609 27.6483 -4.90359 GPRESSAVG: 1539400 16.7872 21.9479 -14.7374 17.426 -12.2933 29.2123 -12.5139 27.4748 -5.13439 TIMING: 1539400 CPU: 4935.86, 0.00319118/step Wall: 4935.86, 0.00319118/step, 3.06761 hours remaining, 231.957031 MB of memory in use. ENERGY: 1539400 3937.8724 20572.6577 14371.1194 245.8304 -203190.8103 2264.0600 0.0000 0.0000 51915.0490 -109884.2213 298.3565 -161799.2703 -109519.2867 298.6140 -207.3382 -184.3174 760487.9509 -0.0723 -0.2135 PRESSURE: 1539600 45.7651 -122.977 -88.4141 -122.977 -110.221 -25.0819 -88.4137 -25.0815 16.7721 GPRESSURE: 1539600 156.454 -8.79549 -0.15191 -120.586 -119.991 30.2445 -132.629 -27.8913 -9.50831 PRESSAVG: 1539600 -36.4872 32.2676 42.465 32.2675 2.53861 19.8776 42.4649 19.8775 13.6104 GPRESSAVG: 1539600 -35.6192 33.344 40.8588 34.2425 1.84978 17.5641 43.3594 20.1571 13.9613 TIMING: 1539600 CPU: 4936.49, 0.00313853/step Wall: 4936.49, 0.00313853/step, 3.01682 hours remaining, 231.957031 MB of memory in use. ENERGY: 1539600 4055.6509 20649.8070 14473.5234 256.9139 -203361.0216 2474.6332 0.0000 0.0000 51888.4206 -109562.0724 298.2035 -161450.4930 -109201.1706 298.9132 -15.8944 8.9851 760666.8173 -6.7794 -6.6027 PRESSURE: 1539800 -126.72 -106.751 -105.239 -106.751 18.5389 237.061 -105.239 237.061 -313.987 GPRESSURE: 1539800 -61.2084 -132.057 -130.963 -108.71 -20.996 158.186 -70.9593 188.999 -251.715 PRESSAVG: 1539800 -18.4278 -25.2479 23.9394 -25.2479 28.2197 -17.0655 23.9395 -17.0654 33.7266 GPRESSAVG: 1539800 -17.6389 -27.4748 26.7858 -26.1377 28.0316 -15.3771 20.6787 -17.2994 33.3393 TIMING: 1539800 CPU: 4937.12, 0.0031667/step Wall: 4937.12, 0.0031667/step, 3.04372 hours remaining, 231.957031 MB of memory in use. ENERGY: 1539800 3953.3985 20648.0517 14478.3192 272.0881 -203262.3017 2376.1738 0.0000 0.0000 52009.7325 -109524.5378 298.9006 -161534.2703 -109155.3256 299.1295 -140.7227 -111.3065 760402.4379 14.5062 14.5773 PRESSURE: 1540000 154.374 180.89 -82.6903 180.891 -353.877 45.6964 -82.6901 45.6966 -276.329 GPRESSURE: 1540000 117.112 132.473 -42.5437 158.311 -242.169 85.2734 -147.877 -64.3175 -254.929 PRESSAVG: 1540000 -1.42772 -19.1869 -5.75444 -19.1869 -13.5278 -47.5462 -5.75451 -47.5462 -23.9863 GPRESSAVG: 1540000 -2.69409 -17.2168 -7.62193 -17.7664 -12.4104 -46.6262 -3.28481 -49.6706 -24.2032 TIMING: 1540000 CPU: 4937.75, 0.00315447/step Wall: 4937.75, 0.00315447/step, 3.03179 hours remaining, 231.957031 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: 1540000 3973.2552 20524.7115 14446.5965 239.0066 -203149.2231 2268.8286 0.0000 0.0000 52049.4080 -109647.4167 299.1287 -161696.8247 -109281.4486 298.5732 -158.6107 -126.6623 760074.2834 -12.9806 -13.1026 PRESSURE: 1540200 229.56 -165.668 -300.561 -165.668 181.145 -9.59607 -300.561 -9.59473 -117.288 GPRESSURE: 1540200 335.731 -281.185 -194.755 24.8285 82.8131 52.7783 -138.755 82.0407 -16.6031 PRESSAVG: 1540200 -6.18339 -30.4864 -0.881699 -30.4864 9.86828 8.28031 -0.881669 8.28039 8.81649 GPRESSAVG: 1540200 -5.48322 -32.3018 -0.608842 -29.5172 9.69596 7.71368 -1.64793 8.22157 8.86804 TIMING: 1540200 CPU: 4938.38, 0.00315533/step Wall: 4938.38, 0.00315533/step, 3.03245 hours remaining, 231.957031 MB of memory in use. ENERGY: 1540200 3961.1756 20542.4448 14419.0218 252.7786 -203675.8378 2715.7456 0.0000 0.0000 52242.2534 -109542.4181 300.2369 -161784.6715 -109175.4150 298.7224 97.8059 133.9804 760043.3315 4.1671 4.3603 LDB: ============= START OF LOAD BALANCING ============== 4950.81 LDB: ============== END OF LOAD BALANCING =============== 4950.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4950.81 LDB: ============= START OF LOAD BALANCING ============== 4951.12 LDB: Largest compute 7078 load 0.033812 is 17.3% of average load 0.195356 LDB: Average compute 0.004404 is 2.3% of average load 0.195356 LDB: TIME 4951.13 LOAD: AVG 0.195356 MAX 0.212587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.688 MB LDB: TIME 4951.13 LOAD: AVG 0.195356 MAX 0.212587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.688 MB LDB: TIME 4951.13 LOAD: AVG 0.195356 MAX 0.212587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.688 MB LDB: ============== END OF LOAD BALANCING =============== 4951.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4951.14 PRESSURE: 1540400 -168.276 -3.98201 100.917 -3.98228 -295.249 89.5694 100.917 89.5708 -77.5556 GPRESSURE: 1540400 -229.984 -73.9738 101.557 -31.5179 -201.326 125.312 177.04 -3.54321 -9.73598 PRESSAVG: 1540400 -5.55156 7.33994 -55.516 7.34002 -36.2369 32.7274 -55.516 32.7275 9.1326 GPRESSAVG: 1540400 -5.84737 10.2753 -55.2863 4.82028 -35.249 32.871 -57.7981 31.5615 8.98177 TIMING: 1540400 CPU: 4939.03, 0.00322458/step Wall: 4939.03, 0.00322458/step, 3.09883 hours remaining, 231.500000 MB of memory in use. ENERGY: 1540400 4026.3216 20417.8110 14489.9687 251.3378 -203356.4550 2485.0508 0.0000 0.0000 52108.7281 -109577.2371 299.4696 -161685.9652 -109209.0750 299.0841 -180.3603 -147.0155 762642.4686 -10.8853 -10.7049 PRESSURE: 1540600 -299.661 117.211 -104.277 117.211 -231.405 -212.626 -104.276 -212.626 -112.593 GPRESSURE: 1540600 -202.413 100.113 -113.809 207.004 -235.497 -247.813 -83.189 -230.466 -124.949 PRESSAVG: 1540600 -47.1897 -7.77585 -67.1643 -7.7758 84.9694 -51.2041 -67.1644 -51.2041 -14.8507 GPRESSAVG: 1540600 -45.8947 -9.23753 -66.4016 -7.77528 83.991 -52.1159 -66.6961 -49.5477 -14.9241 TIMING: 1540600 CPU: 4939.66, 0.00313435/step Wall: 4939.66, 0.00313435/step, 3.01193 hours remaining, 231.500000 MB of memory in use. ENERGY: 1540600 3943.9530 20470.4099 14439.7256 236.8727 -202990.4014 2158.8459 0.0000 0.0000 52117.9985 -109622.5958 299.5229 -161740.5943 -109247.7099 298.8626 -214.5528 -187.6195 761690.3634 7.6430 7.7240 PRESSURE: 1540800 310.129 -170.144 67.4467 -170.143 120.825 105.665 67.4458 105.663 521.126 GPRESSURE: 1540800 361.45 -99.3131 59.5615 -200.419 202.071 74.5443 167.856 135.261 460.484 PRESSAVG: 1540800 -26.7564 -12.9611 -20.9615 -12.961 65.0359 -33.9536 -20.9615 -33.9537 -11.3631 GPRESSAVG: 1540800 -28.1199 -13.5888 -21.2475 -11.525 64.991 -33.4723 -18.5917 -34.7734 -9.87654 TIMING: 1540800 CPU: 4940.29, 0.00318168/step Wall: 4940.29, 0.00318168/step, 3.05724 hours remaining, 231.500000 MB of memory in use. ENERGY: 1540800 3971.8543 20639.2159 14409.3696 219.5634 -203025.3024 2435.0587 0.0000 0.0000 52031.4945 -109318.7461 299.0257 -161350.2406 -108956.9230 299.8227 317.3600 341.3347 761364.9165 8.9721 8.9982 PRESSURE: 1541000 181.427 101.358 -144.157 101.358 -340.928 141.101 -144.157 141.101 257.504 GPRESSURE: 1541000 229.298 153.359 -147.33 154.945 -312.368 164.039 -295.282 288.832 262.145 PRESSAVG: 1541000 -28.2013 16.2585 -28.4176 16.2585 7.36397 14.315 -28.4175 14.315 11.7872 GPRESSAVG: 1541000 -26.1535 17.0178 -26.8382 16.8987 7.04369 14.1333 -31.9344 15.0535 10.2663 TIMING: 1541000 CPU: 4940.92, 0.00313744/step Wall: 4940.92, 0.00313744/step, 3.01456 hours remaining, 231.500000 MB of memory in use. ENERGY: 1541000 3997.9954 20731.5296 14579.5394 227.8595 -203492.3830 2603.2400 0.0000 0.0000 52061.4784 -109290.7406 299.1980 -161352.2190 -108929.5745 299.5649 32.6678 59.6915 760017.9430 -3.0167 -2.9478 PRESSURE: 1541200 291.545 97.7655 -94.0436 97.7646 66.5921 151.044 -94.044 151.043 37.7546 GPRESSURE: 1541200 311.621 98.3135 -145.401 86.5719 51.0097 150.725 -34.9089 139.604 120.06 PRESSAVG: 1541200 21.3073 -1.5629 -12.2143 -1.56292 15.3183 -15.3023 -12.2143 -15.3023 11.2014 GPRESSAVG: 1541200 22.2027 -1.53333 -13.309 -2.7245 14.178 -15.1121 -10.1635 -15.5448 11.4694 TIMING: 1541200 CPU: 4941.55, 0.0031478/step Wall: 4941.55, 0.0031478/step, 3.02434 hours remaining, 231.500000 MB of memory in use. ENERGY: 1541200 3965.9386 20705.9201 14497.8326 274.8828 -203549.4677 2339.8213 0.0000 0.0000 52336.3823 -109428.6900 300.7779 -161765.0723 -109070.2451 299.5978 131.9638 160.8967 758062.8548 15.9423 15.9500 PRESSURE: 1541400 108.448 36.8407 76.2464 36.8411 164.622 5.59595 76.2453 5.59627 172.351 GPRESSURE: 1541400 118.092 3.32834 -93.1586 31.7612 198.386 55.3818 16.6239 0.077196 196.458 PRESSAVG: 1541400 -21.6236 -1.60182 34.8879 -1.60182 41.5629 7.47394 34.8878 7.4739 -5.17184 GPRESSAVG: 1541400 -23.6479 -2.63175 33.2275 -1.35437 42.879 7.8027 36.0698 7.89779 -5.23599 TIMING: 1541400 CPU: 4942.19, 0.00318002/step Wall: 4942.19, 0.00318002/step, 3.05512 hours remaining, 231.500000 MB of memory in use. ENERGY: 1541400 4058.6761 20556.7395 14458.6818 241.1431 -203543.4792 2596.6665 0.0000 0.0000 52093.9331 -109537.6390 299.3845 -161631.5722 -109181.1435 299.3340 148.4737 170.9785 759550.1464 4.9225 4.6650 PRESSURE: 1541600 97.2899 -109.475 -15.7272 -109.474 -91.9548 105.572 -15.727 105.571 196.41 GPRESSURE: 1541600 99.717 2.9487 0.437589 -102.822 2.9581 94.1039 150.812 151.49 180.554 PRESSAVG: 1541600 -37.7622 -28.0018 -41.3718 -28.0018 63.1066 15.6612 -41.3718 15.6611 -3.48712 GPRESSAVG: 1541600 -38.6189 -28.6398 -40.7777 -28.3314 62.306 15.0168 -41.5761 14.6832 -2.45914 TIMING: 1541600 CPU: 4942.82, 0.00315159/step Wall: 4942.82, 0.00315159/step, 3.02763 hours remaining, 231.500000 MB of memory in use. ENERGY: 1541600 3953.1822 20466.1486 14490.5350 263.0272 -203562.4454 2674.3714 0.0000 0.0000 52155.3116 -109559.8694 299.7373 -161715.1809 -109186.9349 299.3402 67.2482 94.4097 759519.6134 7.2858 7.0760 PRESSURE: 1541800 -361.993 -208.911 72.616 -208.91 20.295 -65.9315 72.6157 -65.9315 -471.586 GPRESSURE: 1541800 -359.947 -174.753 60.7371 -199.16 33.6939 -117.971 -68.5923 -93.4988 -398.512 PRESSAVG: 1541800 -16.1105 13.2915 17.8488 13.2915 35.8553 -24.7613 17.8488 -24.7614 -16.3594 GPRESSAVG: 1541800 -14.9676 15.7156 18.9767 12.2462 36.2701 -23.8488 15.4668 -22.7192 -17.8017 TIMING: 1541800 CPU: 4943.45, 0.00318748/step Wall: 4943.45, 0.00318748/step, 3.06193 hours remaining, 231.500000 MB of memory in use. ENERGY: 1541800 3973.3549 20612.5559 14471.2181 224.3875 -203311.5193 2507.8570 0.0000 0.0000 52152.7295 -109369.4164 299.7225 -161522.1459 -109005.6064 299.5453 -271.0944 -241.5886 760118.5413 1.1284 1.1670 PRESSURE: 1542000 34.8102 -135.311 -3.31478 -135.311 -42.8417 92.5282 -3.31563 92.5269 -21.031 GPRESSURE: 1542000 128.799 34.4957 69.5841 -36.8686 -66.0501 71.9833 -71.4091 73.4036 -15.4637 PRESSAVG: 1542000 10.7293 4.87756 -15.1425 4.8776 8.8104 -24.266 -15.1425 -24.2659 -26.2033 GPRESSAVG: 1542000 10.5753 5.36513 -14.8827 5.05043 8.6751 -24.4152 -14.5404 -25.1774 -26.3016 TIMING: 1542000 CPU: 4944.09, 0.0031761/step Wall: 4944.09, 0.0031761/step, 3.05082 hours remaining, 231.500000 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: 1542000 4058.2684 20514.9972 14461.3240 234.1772 -202943.1923 2295.6394 0.0000 0.0000 52276.9526 -109101.8335 300.4364 -161378.7862 -108737.1091 299.7320 -9.6875 15.7618 759226.6167 -2.2212 -2.3504 PRESSURE: 1542200 -170.075 99.1199 -127.009 99.1196 -60.1082 -122.42 -127.008 -122.42 220.288 GPRESSURE: 1542200 -21.8827 88.8175 -44.4515 46.4436 -43.0021 -114.83 -207.413 -122.936 160.049 PRESSAVG: 1542200 -33.1305 1.22933 -14.0814 1.22931 11.0934 -14.7413 -14.0814 -14.7414 -5.93463 GPRESSAVG: 1542200 -33.0655 -0.765398 -14.884 3.43663 11.2736 -15.5785 -14.9017 -15.4612 -5.93495 TIMING: 1542200 CPU: 4944.72, 0.00315855/step Wall: 4944.72, 0.00315856/step, 3.03379 hours remaining, 231.500000 MB of memory in use. ENERGY: 1542200 4054.7733 20497.6969 14418.7343 262.8158 -202991.4817 2387.5497 0.0000 0.0000 52072.0654 -109297.8463 299.2589 -161369.9117 -108929.0522 300.0494 -3.2981 31.7215 759984.3567 -9.3239 -9.2423 PRESSURE: 1542400 277.37 -218.293 189.195 -218.293 -442.1 -219.536 189.196 -219.536 -109.071 GPRESSURE: 1542400 335.834 -301.755 89.9327 -141.908 -372.984 -126.159 -14.7444 -219.725 -135.711 PRESSAVG: 1542400 1.07857 -65.8518 -6.5277 -65.8519 0.780498 -16.9631 -6.52769 -16.9631 3.13673 GPRESSAVG: 1542400 1.58975 -65.9645 -5.70631 -66.3175 1.67624 -15.6274 -5.36581 -16.1239 2.45787 TIMING: 1542400 CPU: 4945.35, 0.00316378/step Wall: 4945.35, 0.00316378/step, 3.03863 hours remaining, 231.500000 MB of memory in use. ENERGY: 1542400 3960.7922 20539.6620 14496.1681 241.9147 -202891.3142 2030.7756 0.0000 0.0000 52034.4421 -109587.5594 299.0427 -161622.0016 -109210.9051 299.4097 -91.2669 -57.6205 761012.2267 1.6653 1.9080 PRESSURE: 1542600 -15.6678 -91.6225 -13.6485 -91.6217 121.193 -188.511 -13.6492 -188.51 -151.848 GPRESSURE: 1542600 42.7534 -122.361 -25.2867 -204.289 195.942 -214.974 80.7648 -67.1135 -209.469 PRESSAVG: 1542600 18.8639 -34.76 -2.36498 -34.76 6.17929 48.788 -2.36502 48.788 -7.9989 GPRESSAVG: 1542600 19.0688 -33.9392 -2.78969 -35.7534 5.28709 47.7025 -2.73427 48.6481 -7.42177 TIMING: 1542600 CPU: 4945.99, 0.00316126/step Wall: 4945.99, 0.00316126/step, 3.03604 hours remaining, 231.500000 MB of memory in use. ENERGY: 1542600 3959.3072 20591.7298 14463.9662 251.8443 -203404.0723 2432.6967 0.0000 0.0000 52294.7574 -109409.7707 300.5387 -161704.5282 -109046.9306 298.9554 -15.4409 9.7423 762055.0888 5.6814 5.6447 PRESSURE: 1542800 259.32 -29.99 -124.959 -29.9894 -314.672 -100.785 -124.958 -100.785 117.835 GPRESSURE: 1542800 279.936 102.982 -43.5713 -72.6188 -257.727 -82.8649 -59.8849 -168.759 103.72 PRESSAVG: 1542800 -43.2424 -16.6697 -70.1367 -16.6697 48.4215 48.4192 -70.1367 48.4192 0.796519 GPRESSAVG: 1542800 -42.3694 -15.5869 -70.8327 -19.836 48.2086 48.3903 -68.2062 47.0617 -0.0482438 TIMING: 1542800 CPU: 4946.62, 0.00315518/step Wall: 4946.62, 0.00315518/step, 3.03002 hours remaining, 231.500000 MB of memory in use. ENERGY: 1542800 3962.2397 20674.2028 14504.2935 258.9724 -203780.6943 2591.2930 0.0000 0.0000 52283.4303 -109506.2626 300.4736 -161789.6929 -109144.5565 299.9647 20.8279 41.9762 760350.7581 1.9919 1.9303 PRESSURE: 1543000 199.756 7.5974 72.4714 7.59668 221.804 -109.447 72.4704 -109.448 74.3511 GPRESSURE: 1543000 214.942 -35.2497 35.4095 53.7724 243.697 -174.077 16.8025 -138.02 112.751 PRESSAVG: 1543000 -25.8662 -41.4178 -49.0982 -41.4178 66.1054 -8.27777 -49.0982 -8.27783 4.36953 GPRESSAVG: 1543000 -25.9527 -44.8431 -49.3465 -36.1176 66.1003 -8.39115 -51.6797 -8.12942 4.71144 TIMING: 1543000 CPU: 4947.25, 0.00318346/step Wall: 4947.25, 0.00318346/step, 3.05701 hours remaining, 231.500000 MB of memory in use. ENERGY: 1543000 3937.5539 20612.1402 14497.0342 249.1762 -203421.8581 2402.6152 0.0000 0.0000 52307.0527 -109416.2857 300.6094 -161723.3384 -109051.7922 299.4992 165.3038 190.4632 758355.3382 14.8696 14.9530 PRESSURE: 1543200 20.2643 12.615 36.7151 12.6155 -101.359 101.855 36.7156 101.856 43.4661 GPRESSURE: 1543200 72.7226 -2.28245 -39.4719 -13.3718 -95.1943 38.9743 165.327 156.866 73.6969 PRESSAVG: 1543200 -4.08271 -10.1501 -37.6535 -10.1501 4.73256 2.14393 -37.6535 2.14398 0.459754 GPRESSAVG: 1543200 -4.73327 -8.09986 -37.9662 -10.5338 6.47544 2.52533 -37.1132 1.85307 -0.184439 TIMING: 1543200 CPU: 4947.89, 0.0031822/step Wall: 4947.89, 0.0031822/step, 3.05562 hours remaining, 231.500000 MB of memory in use. ENERGY: 1543200 4009.4688 20568.7491 14422.7944 248.8570 -203162.1377 2300.1058 0.0000 0.0000 52175.8238 -109436.3389 299.8552 -161612.1627 -109066.5059 300.2727 -12.5428 17.0751 760166.1482 0.3699 0.5192 PRESSURE: 1543400 31.1847 98.4753 132.437 98.4753 -537.743 -65.7806 132.437 -65.7812 130.236 GPRESSURE: 1543400 14.8066 25.4186 126.468 62.7675 -438.874 -61.7055 -28.7753 -247.768 125.723 PRESSAVG: 1543400 37.2565 10.6595 1.85786 10.6595 -10.6761 -9.39955 1.85784 -9.39954 3.54539 GPRESSAVG: 1543400 37.8759 11.4324 0.778354 7.68905 -11.1269 -9.70037 2.60317 -7.91474 2.91913 TIMING: 1543400 CPU: 4948.52, 0.00315894/step Wall: 4948.52, 0.00315894/step, 3.03311 hours remaining, 231.500000 MB of memory in use. ENERGY: 1543400 4011.0828 20405.8858 14420.0713 240.2803 -203178.6518 2391.7184 0.0000 0.0000 52223.3544 -109486.2589 300.1283 -161709.6134 -109115.0510 299.5571 -125.4407 -99.4480 758962.3483 10.0420 9.8894 PRESSURE: 1543600 31.9732 -166.259 -191.117 -166.258 -128.502 60.4447 -191.117 60.4439 -74.4596 GPRESSURE: 1543600 -47.1992 -211.838 -173.424 -156.062 4.4127 33.3988 -208.442 88.148 -48.9254 PRESSAVG: 1543600 24.8484 12.561 -10.7114 12.561 -32.4235 -20.5843 -10.7114 -20.5843 -3.36719 GPRESSAVG: 1543600 23.8761 12.6351 -9.78672 11.3489 -31.8301 -19.7963 -8.54611 -21.8734 -2.95387 TIMING: 1543600 CPU: 4949.15, 0.00316832/step Wall: 4949.15, 0.00316832/step, 3.04194 hours remaining, 231.500000 MB of memory in use. ENERGY: 1543600 3941.9055 20513.8180 14485.9318 244.6759 -203297.1111 2247.2577 0.0000 0.0000 52196.2661 -109667.2561 299.9727 -161863.5222 -109304.0578 299.4949 -56.9961 -30.5706 760370.3530 -3.6474 -3.6360 PRESSURE: 1543800 -32.7363 204.172 -169.405 204.172 153.264 -41.4678 -169.404 -41.4679 -230.153 GPRESSURE: 1543800 44.8114 142.982 -139.044 76.9897 150.16 -115.755 -70.1268 -28.4138 -212.164 PRESSAVG: 1543800 35.865 -23.3428 -1.21798 -23.3428 -18.7897 -11.8699 -1.21797 -11.8699 0.455728 GPRESSAVG: 1543800 35.5558 -25.3246 -0.276324 -20.5882 -19.2388 -12.0062 -3.3425 -8.74023 1.27 TIMING: 1543800 CPU: 4949.78, 0.003136/step Wall: 4949.78, 0.003136/step, 3.01074 hours remaining, 231.500000 MB of memory in use. ENERGY: 1543800 4013.8252 20404.6495 14538.9354 271.1229 -203449.8184 2517.3299 0.0000 0.0000 52108.0787 -109595.8766 299.4658 -161703.9554 -109223.8191 299.0857 -36.5419 -5.7310 758679.7568 5.8437 5.8623 PRESSURE: 1544000 -0.370991 -72.6567 367.58 -72.6564 270.864 -152.751 367.58 -152.751 -24.083 GPRESSURE: 1544000 -47.365 -58.5166 445.956 -181.519 408.802 -144.552 310.164 -67.726 -15.5399 PRESSAVG: 1544000 2.86083 -29.3261 36.7978 -29.3261 -4.9419 -30.6063 36.7978 -30.6063 -4.84376 GPRESSAVG: 1544000 3.64717 -30.2171 35.2198 -30.5527 -5.00211 -30.2666 37.2444 -30.2476 -5.33477 TIMING: 1544000 CPU: 4950.41, 0.00315303/step Wall: 4950.41, 0.00315303/step, 3.02691 hours remaining, 231.500000 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: 1544000 4012.2455 20478.0254 14451.8134 257.8813 -203371.8208 2473.4455 0.0000 0.0000 52063.9576 -109634.4522 299.2123 -161698.4098 -109283.4793 299.1559 82.1368 115.2991 760228.9994 -2.3083 -2.2299 PRESSURE: 1544200 -66.7359 -272.612 265.916 -272.612 -13.1347 49.955 265.916 49.9557 -251.231 GPRESSURE: 1544200 36.3662 -267.45 255.952 -175.397 -55.2373 -38.779 228.245 66.7553 -230.95 PRESSAVG: 1544200 73.8621 -7.58239 40.3767 -7.58243 -90.657 -38.6228 40.3767 -38.6229 -25.8389 GPRESSAVG: 1544200 73.0664 -6.52158 39.7951 -8.51788 -90.4621 -37.4022 40.8035 -40.3114 -25.012 TIMING: 1544200 CPU: 4951.04, 0.00315675/step Wall: 4951.04, 0.00315675/step, 3.0303 hours remaining, 231.500000 MB of memory in use. ENERGY: 1544200 3980.5521 20311.3955 14480.9951 247.5369 -203243.1293 2432.7086 0.0000 0.0000 52017.3701 -109772.5709 298.9445 -161789.9410 -109406.7505 299.1499 -110.3672 -83.2737 759257.8419 -14.2112 -14.1359 LDB: ============= START OF LOAD BALANCING ============== 4963.47 LDB: ============== END OF LOAD BALANCING =============== 4963.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4963.47 LDB: ============= START OF LOAD BALANCING ============== 4963.79 LDB: Largest compute 7034 load 0.034851 is 17.8% of average load 0.195377 LDB: Average compute 0.004402 is 2.3% of average load 0.195377 LDB: TIME 4963.79 LOAD: AVG 0.195377 MAX 0.214156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.113 MB LDB: TIME 4963.79 LOAD: AVG 0.195377 MAX 0.214156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: TIME 4963.79 LOAD: AVG 0.195377 MAX 0.214156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: ============== END OF LOAD BALANCING =============== 4963.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4963.8 PRESSURE: 1544400 -95.7666 -102.216 347.802 -102.216 114.174 -125.957 347.802 -125.956 657.465 GPRESSURE: 1544400 -141.081 -153.145 346.329 -212.581 174.581 -185.714 335.986 -96.7237 727.11 PRESSAVG: 1544400 -3.05735 -29.9674 29.2959 -29.9674 36.9701 0.0610337 29.2959 0.0610421 6.1917 GPRESSAVG: 1544400 -2.4699 -31.4412 31.2662 -27.9465 36.1755 -2.61293 30.5055 -0.675273 5.71592 TIMING: 1544400 CPU: 4951.69, 0.00323056/step Wall: 4951.69, 0.00323056/step, 3.10098 hours remaining, 230.859375 MB of memory in use. ENERGY: 1544400 3970.9764 20596.1588 14415.9672 238.7740 -203269.6655 2363.9275 0.0000 0.0000 52089.2364 -109594.6252 299.3576 -161683.8616 -109230.1851 299.3885 225.2909 253.5364 758373.1707 13.3681 13.1405 PRESSURE: 1544600 -61.4154 -195.374 -86.1374 -195.374 206.148 -84.0311 -86.1383 -84.0312 169.411 GPRESSURE: 1544600 -29.5877 -222.202 -53.6623 -247.27 257.73 -122.572 -187.273 -105.162 178.241 PRESSAVG: 1544600 38.8165 -102.723 11.8078 -102.723 2.26309 -41.6384 11.8078 -41.6385 7.98785 GPRESSAVG: 1544600 40.0116 -100.74 12.2609 -106.255 1.44732 -41.0242 7.66714 -42.454 7.62001 TIMING: 1544600 CPU: 4952.32, 0.00317045/step Wall: 4952.32, 0.00317045/step, 3.04311 hours remaining, 230.929688 MB of memory in use. ENERGY: 1544600 3953.4765 20621.7104 14470.2440 237.6553 -203634.4550 2741.0331 0.0000 0.0000 52182.6356 -109427.7001 299.8943 -161610.3356 -109073.2099 300.0319 104.7146 135.4611 759111.8825 16.3558 16.3596 PRESSURE: 1544800 0.83162 -66.6062 -104.592 -66.6063 -82.1132 -94.5871 -104.592 -94.5875 111.082 GPRESSURE: 1544800 104.151 -84.7022 -95.32 -166.593 -99.6251 -84.4344 -74.2301 -108.363 119.084 PRESSAVG: 1544800 0.804473 -86.8905 13.2505 -86.8905 -9.25555 -9.70444 13.2505 -9.70451 -3.39383 GPRESSAVG: 1544800 1.42099 -85.9122 12.4168 -85.9619 -9.73609 -9.90865 14.6705 -8.23538 -2.97612 TIMING: 1544800 CPU: 4952.95, 0.00314936/step Wall: 4952.95, 0.00314936/step, 3.02269 hours remaining, 230.929688 MB of memory in use. ENERGY: 1544800 3986.4136 20672.7789 14463.4869 238.4433 -203411.4153 2415.3895 0.0000 0.0000 52055.5768 -109579.3263 299.1641 -161634.9031 -109209.3342 299.8948 9.9335 41.2034 760047.6626 -3.9483 -3.7637 PRESSURE: 1545000 -289.605 119.219 94.0145 119.22 36.9365 149.8 94.0151 149.8 -477.445 GPRESSURE: 1545000 -251.072 46.438 128.575 196.698 28.5122 105.881 19.4915 112.763 -393.438 PRESSAVG: 1545000 5.68021 -19.0545 10.8358 -19.0545 -13.0959 17.1879 10.8357 17.1879 5.92505 GPRESSAVG: 1545000 5.2855 -21.5986 10.6876 -20.0532 -12.3207 18.4554 10.2727 13.7617 4.9853 TIMING: 1545000 CPU: 4953.58, 0.00315004/step Wall: 4953.58, 0.00315004/step, 3.02316 hours remaining, 230.929688 MB of memory in use. ENERGY: 1545000 4053.0346 20595.9010 14442.6454 244.5817 -203257.7216 2451.2646 0.0000 0.0000 52016.5180 -109453.7764 298.9396 -161470.2943 -109092.0221 299.4447 -243.3711 -205.3326 760442.1854 -0.4969 -0.6833 PRESSURE: 1545200 58.5391 -289.323 -330.558 -289.324 162.479 23.5177 -330.559 23.5181 -1.14899 GPRESSURE: 1545200 83.2951 -273.914 -322.661 -159.943 172.174 14.6288 -345.357 -15.1198 47.2979 PRESSAVG: 1545200 9.95061 -9.19779 8.19347 -9.1978 -24.8372 -7.101 8.19348 -7.1011 -7.61352 GPRESSAVG: 1545200 8.45046 -7.04966 8.02597 -7.6234 -24.7658 -7.50611 10.2998 -6.1271 -6.71945 TIMING: 1545200 CPU: 4954.21, 0.00312273/step Wall: 4954.21, 0.00312273/step, 2.99678 hours remaining, 230.929688 MB of memory in use. ENERGY: 1545200 3972.4623 20836.5355 14516.1680 257.2957 -203445.9560 2469.9215 0.0000 0.0000 52126.3420 -109267.2310 299.5708 -161393.5730 -108908.5171 300.3222 73.2897 100.9223 758877.5047 -7.5000 -7.6783 PRESSURE: 1545400 406.149 -256.488 151.006 -256.488 173.819 -128.261 151.006 -128.263 38.0482 GPRESSURE: 1545400 396.559 -294.394 171.915 -266.819 180.089 -108.419 180.825 -229.325 123.469 PRESSAVG: 1545400 -78.4798 -49.6619 -24.4722 -49.6619 60.1679 -53.5251 -24.4722 -53.5252 8.89971 GPRESSAVG: 1545400 -77.8717 -50.0985 -21.8165 -48.4668 59.119 -54.6791 -26.6946 -52.3793 9.29441 TIMING: 1545400 CPU: 4954.84, 0.00315794/step Wall: 4954.84, 0.00315794/step, 3.03039 hours remaining, 230.929688 MB of memory in use. ENERGY: 1545400 3951.7243 20585.1725 14404.1918 264.6420 -203330.5176 2589.1607 0.0000 0.0000 52074.2870 -109461.3392 299.2716 -161535.6262 -109094.3477 299.9020 206.0055 233.3721 758745.4800 -3.1374 -3.1527 PRESSURE: 1545600 58.7133 149.201 -44.7973 149.201 10.0168 222.165 -44.7975 222.164 91.7065 GPRESSURE: 1545600 25.0669 214.036 -8.77739 187.894 62.4773 374.832 35.6698 32.8868 148.051 PRESSAVG: 1545600 1.30263 -20.6934 12.4916 -20.6935 -10.9735 21.3114 12.4917 21.3113 10.4367 GPRESSAVG: 1545600 1.71454 -20.3605 11.7339 -20.9147 -10.5872 22.5247 12.5814 20.3523 9.86501 TIMING: 1545600 CPU: 4955.47, 0.00312679/step Wall: 4955.47, 0.0031268/step, 3.00033 hours remaining, 230.929688 MB of memory in use. ENERGY: 1545600 4048.3353 20622.1661 14484.7744 224.4092 -203627.0419 2766.1306 0.0000 0.0000 52171.4313 -109309.7951 299.8299 -161481.2264 -108942.2522 299.6831 53.4789 78.5318 760460.9342 0.2553 0.3308 PRESSURE: 1545800 -69.6234 40.4229 43.357 40.4235 261.607 -364.861 43.3569 -364.861 160.256 GPRESSURE: 1545800 3.50061 -9.84917 97.406 3.13737 174.167 -297.256 -115.44 -209.158 241.165 PRESSAVG: 1545800 -1.99047 -60.9369 33.3524 -60.9369 -6.29739 -13.2439 33.3524 -13.2439 12.7782 GPRESSAVG: 1545800 -1.67652 -61.0532 32.661 -63.7532 -5.54532 -13.6863 35.2768 -12.9278 11.5051 TIMING: 1545800 CPU: 4956.09, 0.00313845/step Wall: 4956.09, 0.00313845/step, 3.01135 hours remaining, 230.929688 MB of memory in use. ENERGY: 1545800 3960.2802 20524.3831 14473.2304 252.8805 -203451.8427 2580.4989 0.0000 0.0000 52062.6621 -109597.9076 299.2048 -161660.5697 -109244.6949 299.5223 117.4132 139.6108 760682.0496 1.4968 1.4277 PRESSURE: 1546000 238.32 -178.751 96.7877 -178.751 103.164 -76.9759 96.7883 -76.9757 -131.33 GPRESSURE: 1546000 274.918 -109.41 74.4692 -183.842 153.034 29.3322 62.4109 -167.03 -141.214 PRESSAVG: 1546000 4.25591 -6.48237 9.27313 -6.4824 18.571 -49.1696 9.27311 -49.1695 -9.07408 GPRESSAVG: 1546000 4.03867 -5.92483 10.5487 -5.36888 18.0418 -49.1201 6.80983 -48.5297 -7.98757 TIMING: 1546000 CPU: 4956.72, 0.00313945/step Wall: 4956.72, 0.00313945/step, 3.01213 hours remaining, 230.929688 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: 1546000 3986.0588 20539.5278 14579.1274 234.8309 -203278.8042 2503.1893 0.0000 0.0000 51820.0989 -109615.9711 297.8108 -161436.0700 -109246.8786 299.2274 70.0513 95.5795 761582.2946 4.5843 4.6976 PRESSURE: 1546200 -199.534 2.12358 80.0103 2.12399 19.013 -220.104 80.0104 -220.104 -45.0732 GPRESSURE: 1546200 -97.3791 71.9009 75.4459 -55.0769 100.876 -282.511 40.7742 -182.143 -140.674 PRESSAVG: 1546200 55.716 -4.39856 20.3522 -4.39859 -59.2999 -4.9021 20.3521 -4.90211 1.49392 GPRESSAVG: 1546200 55.3802 -5.03845 18.9052 -2.58197 -58.2514 -5.13595 21.2153 -6.01348 0.652912 TIMING: 1546200 CPU: 4957.35, 0.00313206/step Wall: 4957.35, 0.00313206/step, 3.00486 hours remaining, 230.929688 MB of memory in use. ENERGY: 1546200 3964.3143 20558.8041 14498.4423 243.1890 -203289.9495 2579.7976 0.0000 0.0000 52036.4845 -109408.9176 299.0544 -161445.4021 -109047.0530 299.1208 -75.1982 -45.7258 760847.7418 -0.6967 -0.7394 PRESSURE: 1546400 20.3738 15.7601 202.644 15.7614 -171.159 309.55 202.644 309.549 174.119 GPRESSURE: 1546400 58.1471 -72.6093 119.323 -19.1301 -166.323 272.049 193.652 240.248 205.984 PRESSAVG: 1546400 87.1715 -39.6595 -1.92486 -39.6595 -53.8263 -22.514 -1.9248 -22.5141 7.1259 GPRESSAVG: 1546400 87.2129 -39.3248 -2.78499 -40.7921 -55.1351 -22.3077 -1.39507 -23.4677 8.38327 TIMING: 1546400 CPU: 4957.98, 0.00315981/step Wall: 4957.98, 0.00315981/step, 3.03132 hours remaining, 230.929688 MB of memory in use. ENERGY: 1546400 3939.1424 20617.3712 14462.9100 231.7352 -203935.5109 2709.5847 0.0000 0.0000 52365.0568 -109609.7106 300.9427 -161974.7674 -109231.6148 299.7617 7.7778 32.6028 759580.9644 13.4904 13.4870 PRESSURE: 1546600 5.00364 59.5905 21.1741 59.5899 192.262 -50.5562 21.1751 -50.556 -77.8891 GPRESSURE: 1546600 108.429 17.2351 110.406 66.5871 193.971 -77.3569 19.0506 60.9456 -105.524 PRESSAVG: 1546600 25.7932 2.30017 12.6217 2.3001 -28.6411 5.01125 12.6217 5.01124 12.4256 GPRESSAVG: 1546600 25.6823 1.92056 14.8809 1.82297 -27.9638 4.4391 12.4279 5.71747 11.647 TIMING: 1546600 CPU: 4958.61, 0.00316572/step Wall: 4958.61, 0.00316572/step, 3.0368 hours remaining, 230.929688 MB of memory in use. ENERGY: 1546600 3988.8376 20504.5389 14465.4549 259.4209 -203595.1241 2499.2162 0.0000 0.0000 52188.0424 -109689.6133 299.9254 -161877.6557 -109331.1418 299.8765 39.7921 65.6253 758958.6655 3.1926 3.1218 PRESSURE: 1546800 -22.2872 -116.164 -101.421 -116.164 -254.087 -9.49487 -101.422 -9.49481 -185.464 GPRESSURE: 1546800 49.4222 -120.412 -87.8008 -167.09 -187.756 2.73845 -5.27025 -15.138 -211.581 PRESSAVG: 1546800 20.5898 -52.3548 -19.4136 -52.3548 -15.262 -44.5375 -19.4136 -44.5374 -34.9404 GPRESSAVG: 1546800 20.262 -51.1671 -20.2756 -55.2616 -14.4536 -42.85 -18.7571 -45.928 -35.7776 TIMING: 1546800 CPU: 4959.25, 0.00317884/step Wall: 4959.25, 0.00317884/step, 3.04922 hours remaining, 230.929688 MB of memory in use. ENERGY: 1546800 4004.5346 20531.0610 14587.7891 241.8725 -203470.9944 2288.3223 0.0000 0.0000 52194.6420 -109622.7730 299.9633 -161817.4150 -109257.7218 299.4022 -153.9461 -116.6382 759837.7055 -9.8709 -9.9897 PRESSURE: 1547000 -27.7082 1.06135 45.452 1.06112 377.648 77.501 45.4527 77.5009 361.592 GPRESSURE: 1547000 103.058 59.4533 78.6751 -11.4112 366.754 82.2586 163.299 9.9884 348.849 PRESSAVG: 1547000 7.05026 -20.7956 -25.0079 -20.7956 0.915011 -23.698 -25.0079 -23.698 27.378 GPRESSAVG: 1547000 7.33137 -21.7285 -24.5329 -18.2399 -0.314934 -24.1604 -24.3761 -19.4239 27.7795 TIMING: 1547000 CPU: 4959.88, 0.00316546/step Wall: 4959.88, 0.00316546/step, 3.0362 hours remaining, 230.929688 MB of memory in use. ENERGY: 1547000 4063.4712 20525.6357 14491.9260 256.8854 -203339.6503 2551.9080 0.0000 0.0000 52068.8363 -109380.9876 299.2403 -161449.8239 -109018.9271 299.5186 237.1773 272.8872 758970.4792 11.7811 11.5986 PRESSURE: 1547200 -63.4954 -64.6108 -21.6363 -64.6111 -392.448 -105.929 -21.6363 -105.929 -184.739 GPRESSURE: 1547200 -15.4862 1.76154 -12.3673 -85.4435 -279.895 -118.467 -14.5434 -35.9695 -241.497 PRESSAVG: 1547200 -7.04206 -29.0724 49.4789 -29.0724 37.6876 3.96624 49.4789 3.96614 -17.7771 GPRESSAVG: 1547200 -7.24921 -29.1664 48.93 -26.9916 36.5702 3.96172 49.1952 0.768103 -16.7051 TIMING: 1547200 CPU: 4960.52, 0.00317365/step Wall: 4960.52, 0.00317365/step, 3.04389 hours remaining, 230.929688 MB of memory in use. ENERGY: 1547200 4014.8735 20487.8078 14548.2302 227.1200 -202909.8255 2071.7906 0.0000 0.0000 52155.4480 -109404.5554 299.7381 -161560.0034 -109033.8385 300.0965 -213.5606 -178.9591 760385.8042 4.2895 4.2053 PRESSURE: 1547400 -222.852 -13.1149 127.007 -13.1146 -196.572 91.4768 127.007 91.4768 -193.32 GPRESSURE: 1547400 -108.225 -55.5583 129.803 60.7873 -206.087 29.6396 109.174 39.7228 -214.061 PRESSAVG: 1547400 31.1606 18.1711 27.5911 18.1711 -58.0511 21.9846 27.5911 21.9845 18.5975 GPRESSAVG: 1547400 31.7532 19.0469 28.1616 14.8469 -56.9089 20.5112 28.1186 22.9696 17.2075 TIMING: 1547400 CPU: 4961.15, 0.00318229/step Wall: 4961.15, 0.00318229/step, 3.05199 hours remaining, 230.929688 MB of memory in use. ENERGY: 1547400 3962.7584 20589.9309 14502.5356 261.9951 -203531.1773 2460.3117 0.0000 0.0000 52412.2832 -109341.3625 301.2141 -161753.6457 -108972.1348 299.8341 -204.2482 -176.1246 760865.1383 -2.7643 -2.6494 PRESSURE: 1547600 -128.47 93.5609 102.938 93.5619 3.35759 -87.498 102.937 -87.4973 -48.3129 GPRESSURE: 1547600 -104.772 76.9639 33.0012 154.511 56.3072 -31.7591 108.863 -120.014 -20.5513 PRESSAVG: 1547600 33.6363 -28.8284 -24.7412 -28.8283 -13.8579 -3.22907 -24.7411 -3.22911 -11.4176 GPRESSAVG: 1547600 32.1553 -31.5613 -24.6305 -28.4306 -13.339 -2.81228 -23.2602 -3.25446 -10.5881 TIMING: 1547600 CPU: 4961.79, 0.00317658/step Wall: 4961.79, 0.00317658/step, 3.04634 hours remaining, 230.929688 MB of memory in use. ENERGY: 1547600 3943.4760 20602.1303 14538.8952 246.8055 -203465.8412 2670.0534 0.0000 0.0000 52062.3488 -109402.1319 299.2030 -161464.4807 -109043.4498 300.1186 -57.8083 -23.0053 759582.7696 2.7869 2.7427 PRESSURE: 1547800 -251.698 139.475 33.5408 139.474 151.462 -13.7296 33.5404 -13.7296 243.021 GPRESSURE: 1547800 -153.812 283.132 -37.463 99.971 191.578 -13.2602 -95.0154 124.27 194.412 PRESSAVG: 1547800 -31.6937 10.0912 32.1117 10.0912 42.138 -11.1323 32.1117 -11.1323 -7.31168 GPRESSAVG: 1547800 -31.17 11.6999 30.7752 11.396 42.0613 -9.8841 29.9812 -12.7436 -7.97728 TIMING: 1547800 CPU: 4962.42, 0.00313823/step Wall: 4962.42, 0.00313823/step, 3.00939 hours remaining, 230.929688 MB of memory in use. ENERGY: 1547800 3951.1304 20560.3250 14531.2499 269.1490 -203125.1584 2305.1829 0.0000 0.0000 52038.8907 -109469.2304 299.0682 -161508.1212 -109112.9200 299.6780 47.5953 77.3924 760812.0530 1.0442 0.9714 PRESSURE: 1548000 209.226 71.1201 155.5 71.12 84.9714 87.8584 155.5 87.8578 -308.363 GPRESSURE: 1548000 291.121 115.536 142.399 47.0272 101.635 97.2107 202.678 -3.61159 -311.434 PRESSAVG: 1548000 -9.92611 -21.0594 19.2357 -21.0594 3.2915 21.8065 19.2358 21.8065 20.483 GPRESSAVG: 1548000 -9.93368 -19.565 19.1324 -23.186 4.08062 21.3032 18.7893 24.048 19.8989 TIMING: 1548000 CPU: 4963.05, 0.00315247/step Wall: 4963.05, 0.00315247/step, 3.02287 hours remaining, 230.929688 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: 1548000 3982.8264 20434.4959 14536.0372 241.7205 -203414.9920 2507.2802 0.0000 0.0000 52474.9380 -109237.6938 301.5742 -161712.6319 -108858.8040 299.9232 -4.7220 27.1074 761520.3802 4.6161 4.6820 PRESSURE: 1548200 112.498 -8.1651 116.799 -8.16553 357.689 -12.4101 116.798 -12.4108 -207.337 GPRESSURE: 1548200 156.809 34.0049 146.585 -37.5271 378.665 -38.7053 65.7986 -26.0641 -191.323 PRESSAVG: 1548200 11.0492 -75.4158 17.0639 -75.4159 -0.784786 38.4305 17.0639 38.4305 -27.8067 GPRESSAVG: 1548200 11.9251 -76.1014 18.5777 -72.2722 -1.28944 37.1077 16.1462 35.9038 -27.9064 TIMING: 1548200 CPU: 4963.69, 0.00320477/step Wall: 4963.69, 0.00320477/step, 3.07284 hours remaining, 230.929688 MB of memory in use. ENERGY: 1548200 3929.8845 20541.6051 14579.0801 237.3632 -203293.9578 2647.9127 0.0000 0.0000 52140.2693 -109217.8429 299.6508 -161358.1122 -108854.5574 300.1606 87.6168 114.7172 759332.2061 -5.8474 -5.7569 LDB: ============= START OF LOAD BALANCING ============== 4976.11 LDB: ============== END OF LOAD BALANCING =============== 4976.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4976.11 LDB: ============= START OF LOAD BALANCING ============== 4976.42 LDB: Largest compute 7034 load 0.036893 is 18.9% of average load 0.195346 LDB: Average compute 0.004410 is 2.3% of average load 0.195346 LDB: TIME 4976.43 LOAD: AVG 0.195346 MAX 0.210147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.113 MB LDB: TIME 4976.43 LOAD: AVG 0.195346 MAX 0.210147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.316 MB LDB: TIME 4976.43 LOAD: AVG 0.195346 MAX 0.210147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.316 MB LDB: ============== END OF LOAD BALANCING =============== 4976.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4976.44 PRESSURE: 1548400 122.926 -6.64053 -141.654 -6.63956 -111.888 -212.931 -141.654 -212.932 -101.836 GPRESSURE: 1548400 51.7498 -57.3174 -157.615 52.0877 9.77022 -111.87 -114.868 -288.234 -74.729 PRESSAVG: 1548400 19.0278 12.6183 -25.2705 12.6183 56.3565 -8.90168 -25.2705 -8.90164 2.02345 GPRESSAVG: 1548400 18.3151 11.5936 -26.7293 11.5531 56.4988 -8.67774 -23.4211 -8.60239 2.56922 TIMING: 1548400 CPU: 4964.33, 0.00321895/step Wall: 4964.33, 0.00321895/step, 3.08626 hours remaining, 232.144531 MB of memory in use. ENERGY: 1548400 3962.9505 20605.1645 14519.9717 247.0300 -203171.8724 2331.1660 0.0000 0.0000 52313.3395 -109192.2501 300.6455 -161505.5896 -108823.2080 300.2686 -30.2657 -4.4030 760702.5895 25.8026 25.7944 PRESSURE: 1548600 -155.319 0.842981 -61.7213 0.842343 -278.011 204.98 -61.7204 204.98 -44.0801 GPRESSURE: 1548600 -133.342 85.2994 4.26971 -7.81744 -234.514 133.895 -110.601 129.846 -16.4647 PRESSAVG: 1548600 2.89257 -38.9501 45.8851 -38.9501 -22.4189 29.2801 45.8851 29.2802 7.21269 GPRESSAVG: 1548600 2.47583 -38.6728 47.86 -38.2869 -22.9561 29.5962 44.8317 29.8471 8.06316 TIMING: 1548600 CPU: 4964.96, 0.00312136/step Wall: 4964.96, 0.00312136/step, 2.99252 hours remaining, 232.144531 MB of memory in use. ENERGY: 1548600 3997.0641 20515.1479 14495.7708 224.8422 -203311.1236 2467.2960 0.0000 0.0000 52295.9294 -109315.0732 300.5454 -161611.0026 -108952.6127 299.6410 -159.1369 -128.1069 761787.4938 -4.1045 -4.1390 PRESSURE: 1548800 -122.281 -321.309 -92.8484 -321.308 116.957 -52.686 -92.8485 -52.6866 -249.098 GPRESSURE: 1548800 -137.451 -282.942 -117.415 -263.843 182.046 17.5111 -3.35944 -32.7397 -198.13 PRESSAVG: 1548800 -29.5365 17.229 52.1782 17.2289 61.4031 -7.08662 52.1781 -7.08664 1.30661 GPRESSAVG: 1548800 -29.2777 17.74 51.6942 16.3099 62.3441 -6.83102 52.7487 -5.31731 0.0148897 TIMING: 1548800 CPU: 4965.59, 0.00316516/step Wall: 4965.59, 0.00316516/step, 3.03433 hours remaining, 232.144531 MB of memory in use. ENERGY: 1548800 3981.5688 20474.0473 14502.2276 239.7535 -203091.3025 2445.6907 0.0000 0.0000 52227.9875 -109220.0271 300.1550 -161448.0147 -108857.2896 300.1311 -84.8073 -51.1784 760390.7100 11.0577 11.0271 PRESSURE: 1549000 -120.694 148.853 99.5399 148.853 181.528 -51.2592 99.5396 -51.2591 -248.772 GPRESSURE: 1549000 -93.2258 147.684 129.18 187.031 230.584 -148.876 114.082 -14.1901 -226.091 PRESSAVG: 1549000 21.3935 -2.48321 0.407308 -2.48316 -9.08104 -12.6844 0.407362 -12.6845 14.7875 GPRESSAVG: 1549000 19.7098 -1.3693 -1.02915 -4.65953 -8.97423 -12.0656 3.33778 -15.8136 15.931 TIMING: 1549000 CPU: 4966.22, 0.00315566/step Wall: 4966.22, 0.00315566/step, 3.02505 hours remaining, 232.144531 MB of memory in use. ENERGY: 1549000 3922.5343 20485.0376 14465.4075 255.7455 -202949.5279 2302.9352 0.0000 0.0000 52318.8387 -109199.0291 300.6771 -161517.8678 -108833.0471 299.9199 -62.6460 -29.5776 760011.6783 9.0333 8.8889 PRESSURE: 1549200 -72.049 -8.85026 -23.5571 -8.85001 43.1451 -30.8142 -23.5575 -30.8136 -200.161 GPRESSURE: 1549200 -33.1404 -21.901 -31.4169 -169.946 114.445 -79.4356 -42.3494 89.0386 -221.656 PRESSAVG: 1549200 -13.3184 -9.87983 -24.9903 -9.87987 -3.41305 11.1043 -24.9902 11.1043 -3.09617 GPRESSAVG: 1549200 -11.5014 -12.3742 -22.5913 -8.61839 -3.83015 9.45851 -28.5622 14.768 -4.28441 TIMING: 1549200 CPU: 4966.85, 0.00316868/step Wall: 4966.85, 0.00316868/step, 3.03736 hours remaining, 232.144531 MB of memory in use. ENERGY: 1549200 3947.4403 20549.4674 14563.9570 252.6818 -203245.8015 2524.7114 0.0000 0.0000 52319.6518 -109087.8918 300.6818 -161407.5436 -108727.8108 299.9179 -76.3549 -46.7838 760867.7951 -6.6092 -6.5387 PRESSURE: 1549400 -45.0187 24.0455 274.52 24.0463 59.5167 -82.8018 274.519 -82.8021 -99.9998 GPRESSURE: 1549400 28.5106 15.4598 169.872 65.7253 101.897 -13.2756 187.359 -52.8147 -116.415 PRESSAVG: 1549400 -23.256 0.224754 -7.11755 0.224721 33.3725 24.6092 -7.11751 24.6091 22.3753 GPRESSAVG: 1549400 -24.1328 2.39186 -9.10452 0.214548 33.296 25.226 -5.95103 20.8771 23.9018 TIMING: 1549400 CPU: 4967.49, 0.00316374/step Wall: 4967.49, 0.00316374/step, 3.03244 hours remaining, 232.144531 MB of memory in use. ENERGY: 1549400 3986.9826 20486.7718 14524.0747 245.1081 -203113.3349 2455.7450 0.0000 0.0000 52280.7923 -109133.8606 300.4584 -161414.6529 -108764.6412 300.5862 -28.5006 4.6642 760377.6259 10.8306 11.0217 PRESSURE: 1549600 148.397 -13.4882 -117.553 -13.4883 128.15 -245.65 -117.553 -245.65 -698.047 GPRESSURE: 1549600 121.315 -1.47044 -82.3142 -68.9057 203.409 -208.132 -115.5 -227.154 -667.712 PRESSAVG: 1549600 -36.973 -18.096 -40.9111 -18.096 -3.72628 8.64479 -40.9111 8.64476 13.1987 GPRESSAVG: 1549600 -36.3223 -18.1849 -39.6496 -17.4092 -4.26407 10.1436 -42.9184 8.43912 13.1946 TIMING: 1549600 CPU: 4968.11, 0.00313949/step Wall: 4968.11, 0.00313949/step, 3.00902 hours remaining, 232.144531 MB of memory in use. ENERGY: 1549600 4068.2101 20577.6952 14537.8525 234.6605 -203392.8108 2428.6833 0.0000 0.0000 52480.2115 -109065.4977 301.6045 -161545.7092 -108688.0510 300.0148 -140.4998 -114.3293 761316.0815 -9.1669 -9.1306 PRESSURE: 1549800 -182.607 -199.544 -9.60049 -199.544 299.001 -150.741 -9.60014 -150.741 -97.822 GPRESSURE: 1549800 -132.655 -115.504 89.6886 -147.105 276.323 -123.193 95.9046 -109.287 -36.4708 PRESSAVG: 1549800 -45.829 -36.7387 22.5013 -36.7387 4.72073 -33.9284 22.5013 -33.9284 -9.65274 GPRESSAVG: 1549800 -45.2317 -37.1291 23.4546 -36.6463 5.0859 -34.5465 25.5003 -32.2229 -10.4449 TIMING: 1549800 CPU: 4968.75, 0.00316186/step Wall: 4968.75, 0.00316186/step, 3.03029 hours remaining, 232.144531 MB of memory in use. ENERGY: 1549800 4064.3875 20614.2054 14517.1207 247.6948 -203473.5721 2492.7171 0.0000 0.0000 52335.5373 -109201.9094 300.7731 -161537.4467 -108828.3455 300.4607 6.1907 35.7325 760542.0772 -16.9203 -16.8636 PRESSURE: 1550000 37.5947 -280.109 107.115 -280.109 341.417 -64.1039 107.116 -64.1044 75.7665 GPRESSURE: 1550000 150.153 -282.058 98.3038 -199.432 361.712 -134.163 14.4875 9.94416 40.6399 PRESSAVG: 1550000 -21.6606 -0.262086 -11.3995 -0.261985 31.5281 29.3401 -11.3995 29.34 0.576974 GPRESSAVG: 1550000 -20.8469 -0.383298 -10.6608 -0.60541 30.0914 27.8831 -15.352 29.9133 1.33496 TIMING: 1550000 CPU: 4969.37, 0.0031365/step Wall: 4969.37, 0.0031365/step, 3.00581 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1550000 3958.9607 20528.2493 14475.7863 249.3967 -203514.2058 2668.6481 0.0000 0.0000 52255.9896 -109377.1751 300.3159 -161633.1647 -109015.6141 299.3608 151.5927 184.1682 758336.9553 3.4815 3.5265 PRESSURE: 1550200 38.3275 159.382 -15.7988 159.381 -494.22 -6.93014 -15.7999 -6.93034 -234.691 GPRESSURE: 1550200 59.0317 137.884 -5.49017 215.128 -511.659 -23.6507 -36.3298 -60.7943 -137.129 PRESSAVG: 1550200 17.3695 -25.2424 18.3944 -25.2424 15.249 -34.0636 18.3944 -34.0635 -19.4981 GPRESSAVG: 1550200 17.1146 -25.6085 17.1569 -25.7746 15.6431 -33.4566 22.3093 -34.5877 -19.6198 TIMING: 1550200 CPU: 4970, 0.00314228/step Wall: 4970, 0.00314228/step, 3.01118 hours remaining, 232.144531 MB of memory in use. ENERGY: 1550200 4051.3241 20691.2976 14538.1329 245.3230 -202744.6603 2023.9748 0.0000 0.0000 52219.0828 -108975.5251 300.1038 -161194.6079 -108618.7939 300.2916 -230.1943 -196.5853 760144.2337 4.3735 4.3793 PRESSURE: 1550400 -39.7766 -69.7845 -120.57 -69.7841 203.764 -45.3603 -120.571 -45.3603 -155.427 GPRESSURE: 1550400 45.156 21.8261 -204.329 -46.1858 161.647 -122.12 -53.6046 -21.2003 -120.505 PRESSAVG: 1550400 12.6587 22.5657 20.5391 22.5658 10.149 -31.8548 20.5391 -31.8548 1.0729 GPRESSAVG: 1550400 11.9014 21.4673 20.106 24.0763 11.0166 -32.143 20.4848 -32.4186 0.710276 TIMING: 1550400 CPU: 4970.63, 0.00316311/step Wall: 4970.63, 0.00316311/step, 3.03096 hours remaining, 232.144531 MB of memory in use. ENERGY: 1550400 4048.6812 20682.5668 14507.0857 236.1748 -203570.7458 2453.5220 0.0000 0.0000 52698.5164 -108944.1990 302.8591 -161642.7154 -108575.7182 301.2134 2.8534 28.7661 760025.8765 7.9602 7.8761 PRESSURE: 1550600 -363.576 78.1246 58.6236 78.1238 -98.3372 -75.5989 58.6235 -75.5984 -112.345 GPRESSURE: 1550600 -297.866 49.1616 53.1278 43.3777 -60.1886 -63.0869 -109.696 -69.5007 -131.133 PRESSAVG: 1550600 -17.4834 45.7196 16.7449 45.7196 -36.5785 45.44 16.7449 45.4399 0.993085 GPRESSAVG: 1550600 -18.1683 45.7173 16.0684 44.7444 -36.1494 46.4056 16.959 46.2674 1.68892 TIMING: 1550600 CPU: 4971.27, 0.0031622/step Wall: 4971.27, 0.0031622/step, 3.02992 hours remaining, 232.144531 MB of memory in use. ENERGY: 1550600 4053.4038 20604.9269 14449.5373 234.4097 -202633.5841 2152.0959 0.0000 0.0000 52092.7861 -109046.4245 299.3780 -161139.2105 -108688.6935 300.8998 -191.4191 -163.0628 759935.0895 -17.6896 -17.5429 PRESSURE: 1550800 174.875 -23.3115 76.8846 -23.3119 -135.094 131.689 76.8846 131.69 148.717 GPRESSURE: 1550800 206.003 46.1754 60.7624 81.1468 -105.414 188.382 22.0128 137.486 187.111 PRESSAVG: 1550800 43.2604 54.6253 58.4361 54.6252 -26.639 43.8808 58.4361 43.8808 10.7851 GPRESSAVG: 1550800 44.6652 54.524 57.3267 55.0995 -26.3861 46.9253 57.8706 41.5704 9.59216 TIMING: 1550800 CPU: 4971.89, 0.00313093/step Wall: 4971.89, 0.00313093/step, 2.99978 hours remaining, 232.144531 MB of memory in use. ENERGY: 1550800 3940.0685 20527.4427 14486.7037 232.9259 -203331.1731 2553.0642 0.0000 0.0000 52371.7845 -109219.1835 300.9814 -161590.9680 -108857.4030 300.5044 62.8326 95.9002 759455.0467 9.1355 9.2904 PRESSURE: 1551000 -115.035 15.254 205.532 15.255 179.56 93.6751 205.532 93.6742 -36.4982 GPRESSURE: 1551000 -138.79 24.5137 223.466 -58.2026 195.814 65.6493 83.5351 123.808 49.5208 PRESSAVG: 1551000 -17.6434 -41.2281 6.38497 -41.2281 -57.9975 -20.4679 6.38495 -20.4679 17.7128 GPRESSAVG: 1551000 -17.6625 -40.1921 6.92478 -40.5667 -58.3057 -23.1163 7.83109 -19.1417 18.1623 TIMING: 1551000 CPU: 4972.52, 0.00312788/step Wall: 4972.52, 0.00312788/step, 2.99668 hours remaining, 232.144531 MB of memory in use. ENERGY: 1551000 3964.1362 20398.7901 14462.0430 251.8538 -203245.4316 2403.5943 0.0000 0.0000 52355.1689 -109409.8453 300.8859 -161765.0142 -109044.6600 299.9806 9.3420 35.5149 760193.6238 -19.3094 -19.2686 PRESSURE: 1551200 200.102 110.056 98.8776 110.056 87.0946 -85.1029 98.8779 -85.1039 56.7975 GPRESSURE: 1551200 243.205 97.3059 6.44357 20.6485 137.032 16.5437 -99.4127 -75.145 77.6796 PRESSAVG: 1551200 -24.3568 28.6202 16.8943 28.6203 15.6155 16.4521 16.8943 16.4521 18.3387 GPRESSAVG: 1551200 -24.8734 28.6601 15.5252 27.7603 16.4342 15.9212 16.7816 17.035 18.0933 TIMING: 1551200 CPU: 4973.15, 0.00314431/step Wall: 4973.15, 0.00314431/step, 3.01225 hours remaining, 232.144531 MB of memory in use. ENERGY: 1551200 4022.8824 20492.9112 14523.8891 250.0554 -203367.9554 2533.3661 0.0000 0.0000 52006.0781 -109538.7730 298.8796 -161544.8511 -109183.0353 299.8067 114.6647 152.6387 759250.8605 3.1991 3.2180 PRESSURE: 1551400 -361.675 167.317 -34.1719 167.317 -532.183 207.439 -34.1709 207.439 161.039 GPRESSURE: 1551400 -211.209 144.928 -1.07792 156.142 -557.62 206.136 4.08204 138.526 133.164 PRESSAVG: 1551400 -40.5633 6.73436 12.9937 6.7343 41.9358 -8.76367 12.9938 -8.76361 4.72897 GPRESSAVG: 1551400 -39.6565 6.95923 13.684 7.75716 41.7506 -9.27214 12.8202 -8.54035 4.13304 TIMING: 1551400 CPU: 4973.77, 0.00311686/step Wall: 4973.77, 0.00311686/step, 2.98578 hours remaining, 232.144531 MB of memory in use. ENERGY: 1551400 4009.9975 20498.1631 14502.6352 243.1648 -203258.0238 2392.2173 0.0000 0.0000 52228.8729 -109382.9730 300.1601 -161611.8459 -109025.5979 299.6252 -244.2732 -211.8880 761990.0105 2.0338 2.0757 PRESSURE: 1551600 -78.7234 -95.6422 79.0268 -95.6431 118.398 138.76 79.0278 138.761 -62.5368 GPRESSURE: 1551600 47.9703 -36.1851 74.9642 40.4261 74.2772 274.627 183.956 -8.30139 -55.8356 PRESSAVG: 1551600 37.2744 13.3034 3.16285 13.3034 -34.8663 -10.4622 3.16286 -10.4621 13.1152 GPRESSAVG: 1551600 37.3443 16.3681 3.79419 13.7216 -34.9293 -9.13462 3.16802 -12.9762 13.3139 TIMING: 1551600 CPU: 4974.39, 0.0030992/step Wall: 4974.39, 0.0030992/step, 2.96869 hours remaining, 232.144531 MB of memory in use. ENERGY: 1551600 3997.0508 20514.8140 14424.8208 237.1435 -203450.1312 2545.9617 0.0000 0.0000 52205.6523 -109524.6882 300.0266 -161730.3405 -109165.8558 299.6922 -7.6209 22.1373 761626.1605 5.1744 5.2430 PRESSURE: 1551800 -163.814 250.375 65.732 250.375 -174.4 217.217 65.7322 217.216 -260.216 GPRESSURE: 1551800 -121.525 219.347 30.8937 66.0813 -184.21 160.483 148.746 142.534 -194.573 PRESSAVG: 1551800 4.31651 -22.9057 9.95279 -22.9057 11.0206 -47.4474 9.95269 -47.4473 -7.28505 GPRESSAVG: 1551800 4.08076 -26.0986 10.308 -25.215 11.9845 -48.1803 10.5797 -47.796 -8.03133 TIMING: 1551800 CPU: 4975.02, 0.00315887/step Wall: 4975.02, 0.00315887/step, 3.02567 hours remaining, 232.144531 MB of memory in use. ENERGY: 1551800 3942.3969 20491.5957 14470.5886 248.9498 -203304.7412 2278.8427 0.0000 0.0000 52100.4356 -109771.9321 299.4219 -161872.3676 -109403.1718 299.0423 -199.4765 -166.7693 761092.9916 2.6840 2.6780 PRESSURE: 1552000 -110.716 -108.848 51.5769 -108.849 -58.8435 5.88809 51.5756 5.88738 -340.957 GPRESSURE: 1552000 -22.8116 -101.076 -11.5727 3.12152 -45.6777 29.5305 92.5017 17.175 -354.253 PRESSAVG: 1552000 16.6334 -5.41084 -36.9392 -5.41084 -49.1452 -16.7132 -36.9392 -16.7132 18.3213 GPRESSAVG: 1552000 15.1464 -4.08979 -36.1717 -2.69976 -48.5011 -15.9674 -37.3082 -14.2158 19.3044 TIMING: 1552000 CPU: 4975.65, 0.00312882/step Wall: 4975.65, 0.00312882/step, 2.99672 hours remaining, 232.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1552000 4061.7733 20557.3799 14436.7615 251.9926 -203438.8500 2456.6140 0.0000 0.0000 51911.0009 -109763.3278 298.3332 -161674.3287 -109405.9613 298.9825 -170.1722 -140.9142 760365.2575 -4.7301 -4.6834 PRESSURE: 1552200 137.311 49.8949 455.737 49.895 194.998 -117.649 455.737 -117.65 181.851 GPRESSURE: 1552200 225.49 154.498 431.121 1.92097 190.024 -82.8884 338.88 -99.8053 190.031 PRESSAVG: 1552200 54.5377 46.851 10.3041 46.851 -8.93047 -66.3208 10.3041 -66.3208 -1.59955 GPRESSAVG: 1552200 54.804 45.7039 9.14193 44.5189 -10.069 -65.9434 9.548 -66.0429 -0.602251 TIMING: 1552200 CPU: 4976.28, 0.00314215/step Wall: 4976.28, 0.00314215/step, 3.00931 hours remaining, 232.144531 MB of memory in use. ENERGY: 1552200 3961.4677 20389.0232 14432.7526 256.0560 -203485.8234 2567.7393 0.0000 0.0000 51939.2970 -109939.4876 298.4959 -161878.7846 -109581.8975 298.7558 171.3867 201.8483 759625.2405 14.6692 14.7109 LDB: ============= START OF LOAD BALANCING ============== 4988.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4988.7 LDB: =============== DONE WITH MIGRATION ================ 4988.7 LDB: ============= START OF LOAD BALANCING ============== 4989.01 LDB: Largest compute 7078 load 0.033269 is 17.0% of average load 0.195374 LDB: Average compute 0.004399 is 2.3% of average load 0.195374 LDB: TIME 4989.02 LOAD: AVG 0.195374 MAX 0.210459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.758 MB LDB: TIME 4989.02 LOAD: AVG 0.195374 MAX 0.210459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.762 MB LDB: TIME 4989.02 LOAD: AVG 0.195374 MAX 0.210459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.762 MB LDB: ============== END OF LOAD BALANCING =============== 4989.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4989.03 PRESSURE: 1552400 193.968 42.9249 -35.08 42.925 -9.8089 -59.2138 -35.0806 -59.2133 549.692 GPRESSURE: 1552400 237.897 63.1534 -13.7393 57.6711 70.2739 -28.2076 47.7354 18.2032 515.621 PRESSAVG: 1552400 22.9787 50.2222 3.27319 50.2223 -26.1841 -66.5052 3.27312 -66.5051 -17.9165 GPRESSAVG: 1552400 23.2584 50.8621 3.36361 53.4171 -24.859 -67.6706 2.90968 -67.735 -19.076 TIMING: 1552400 CPU: 4976.92, 0.00321698/step Wall: 4976.92, 0.00321698/step, 3.08079 hours remaining, 233.226562 MB of memory in use. ENERGY: 1552400 3880.6015 20543.8575 14473.5674 230.5713 -203796.7634 2716.2577 0.0000 0.0000 52036.5209 -109915.3870 299.0546 -161951.9079 -109546.2440 298.5600 244.6170 274.5973 758520.3464 -7.0406 -6.8922 PRESSURE: 1552600 122.351 -115.705 319.616 -115.706 116.537 95.0844 319.616 95.0843 -0.366729 GPRESSURE: 1552600 179.435 -65.9873 208.347 -31.1561 102.139 45.5952 282.631 99.9245 46.1177 PRESSAVG: 1552600 19.2138 24.3046 59.3064 24.3046 3.2912 -19.6373 59.3064 -19.6373 -4.60675 GPRESSAVG: 1552600 18.6411 24.4298 60.1601 23.9126 2.43379 -21.5539 59.1705 -19.8466 -3.6305 TIMING: 1552600 CPU: 4977.55, 0.00314043/step Wall: 4977.55, 0.00314043/step, 3.00731 hours remaining, 233.429688 MB of memory in use. ENERGY: 1552600 3941.2114 20530.2179 14482.4418 252.9543 -203936.2065 2734.8030 0.0000 0.0000 52106.4109 -109888.1674 299.4563 -161994.5782 -109522.3793 298.7675 79.5069 109.2305 759251.5987 5.9661 5.8148 PRESSURE: 1552800 -134.703 -133.277 -31.1063 -133.276 -285.318 -145.512 -31.1058 -145.513 -177.378 GPRESSURE: 1552800 -114.057 -57.1863 39.7638 -112.925 -197.852 -246.062 128.098 -216.707 -205.259 PRESSAVG: 1552800 -11.0316 12.3903 65.3636 12.3902 -15.5941 -35.32 65.3636 -35.32 10.5107 GPRESSAVG: 1552800 -9.67115 13.3188 65.2581 9.92988 -16.0636 -34.3056 65.0989 -34.3943 9.3067 TIMING: 1552800 CPU: 4978.18, 0.00314411/step Wall: 4978.18, 0.00314411/step, 3.01066 hours remaining, 233.429688 MB of memory in use. ENERGY: 1552800 3963.0148 20504.1003 14476.5384 237.9626 -203442.9420 2544.9144 0.0000 0.0000 51869.2648 -109847.1468 298.0934 -161716.4116 -109480.4389 298.4747 -199.1330 -172.3891 762173.0432 -5.3717 -5.4760 PRESSURE: 1553000 74.1248 54.8414 17.3752 54.8415 27.8574 -189.778 17.3751 -189.778 -43.708 GPRESSURE: 1553000 96.4575 104.385 113.489 92.227 134.325 -134.851 -25.6215 -37.0171 -86.5496 PRESSAVG: 1553000 38.0416 -8.3552 -19.178 -8.35517 9.81664 -42.5806 -19.178 -42.5807 3.513 GPRESSAVG: 1553000 36.7647 -9.90217 -17.7074 -8.90555 10.0329 -42.3307 -18.0827 -42.104 4.25607 TIMING: 1553000 CPU: 4978.81, 0.00315216/step Wall: 4978.81, 0.00315216/step, 3.0182 hours remaining, 233.429688 MB of memory in use. ENERGY: 1553000 3959.3287 20288.2699 14521.1023 251.5999 -203399.2050 2414.0789 0.0000 0.0000 52135.9511 -109828.8742 299.6260 -161964.8253 -109467.3821 298.4216 19.4248 48.0777 762024.6316 17.1238 17.0179 PRESSURE: 1553200 -351.846 -195.534 -1.85849 -195.534 -566.739 21.1204 -1.85921 21.1204 -59.0133 GPRESSURE: 1553200 -435.152 -132.513 -55.3687 -197.484 -413.553 82.8141 -28.886 -49.1882 -25.9156 PRESSAVG: 1553200 24.3722 -12.1027 0.669484 -12.1028 6.1332 9.21273 0.669476 9.21278 -6.7042 GPRESSAVG: 1553200 24.2229 -12.4358 -0.993946 -10.3281 5.75473 9.44731 0.967291 9.18154 -6.02404 TIMING: 1553200 CPU: 4979.44, 0.00315041/step Wall: 4979.44, 0.00315041/step, 3.01634 hours remaining, 233.429688 MB of memory in use. ENERGY: 1553200 3890.0266 20387.8024 14505.0873 233.9646 -203365.3671 2335.7916 0.0000 0.0000 52245.0087 -109767.6859 300.2528 -162012.6946 -109382.2419 298.4599 -325.8660 -291.5402 762125.7594 7.9337 7.9845 PRESSURE: 1553400 201.749 204.548 77.3307 204.548 -156.913 138.279 77.3306 138.279 226.084 GPRESSURE: 1553400 194.323 172.648 41.801 307.303 -95.015 111.747 60.9924 96.6132 262.956 PRESSAVG: 1553400 21.9525 15.6056 -4.36648 15.6055 20.3214 49.3265 -4.36649 49.3265 12.6328 GPRESSAVG: 1553400 22.63 15.5999 -3.90908 14.1531 21.0831 48.8309 -2.36626 46.8881 10.8893 TIMING: 1553400 CPU: 4980.07, 0.00315374/step Wall: 4980.07, 0.00315374/step, 3.01935 hours remaining, 233.429688 MB of memory in use. ENERGY: 1553400 3929.0729 20451.3673 14520.7811 248.1997 -203690.7512 2482.5957 0.0000 0.0000 52144.8522 -109913.8822 299.6772 -162058.7344 -109547.3140 298.6653 90.3066 120.7548 758939.9268 18.3022 18.2008 PRESSURE: 1553600 -37.1421 18.8009 -10.3801 18.8011 -257.716 -88.4211 -10.3788 -88.4206 -175.305 GPRESSURE: 1553600 -18.2301 -45.6186 -50.6312 11.3145 -169.297 -86.0296 -166.717 -14.1367 -186.733 PRESSAVG: 1553600 24.6266 3.07355 -38.3682 3.07354 15.9268 -13.5419 -38.3682 -13.5419 -5.40638 GPRESSAVG: 1553600 24.6043 2.74392 -37.8257 4.3773 14.702 -11.8719 -40.8142 -11.0852 -4.65643 TIMING: 1553600 CPU: 4980.7, 0.0031434/step Wall: 4980.7, 0.0031434/step, 3.00928 hours remaining, 233.429688 MB of memory in use. ENERGY: 1553600 3945.5538 20329.2637 14502.0122 236.8533 -203652.8682 2632.3259 0.0000 0.0000 52154.6407 -109852.2187 299.7334 -162006.8593 -109481.3408 299.1803 -156.7212 -124.7533 760815.7432 11.7157 11.5500 PRESSURE: 1553800 71.4713 -39.0146 -160.331 -39.014 -437.058 -25.2917 -160.331 -25.2913 -179.507 GPRESSURE: 1553800 27.9974 5.52827 -126.329 -110.639 -362.74 52.639 -105.899 34.3194 -123.758 PRESSAVG: 1553800 -5.64414 -17.9959 4.62946 -17.996 -21.2304 -32.3303 4.62946 -32.3303 -4.02015 GPRESSAVG: 1553800 -6.41712 -17.6155 4.96931 -18.0561 -20.9605 -32.2444 3.36153 -32.7139 -3.29228 TIMING: 1553800 CPU: 4981.32, 0.00313281/step Wall: 4981.32, 0.00313281/step, 2.99897 hours remaining, 233.429688 MB of memory in use. ENERGY: 1553800 3990.3191 20490.8695 14529.9321 253.4301 -203156.3567 2170.4398 0.0000 0.0000 51896.6079 -109824.7583 298.2505 -161721.3661 -109456.7710 298.9216 -181.6980 -152.8334 760578.4594 -10.2982 -10.2233 PRESSURE: 1554000 575.19 53.2029 78.5708 53.2035 -3.56251 118.707 78.5705 118.707 -121.49 GPRESSURE: 1554000 529.155 -60.0951 73.3902 108.462 72.3758 21.6434 -72.0043 43.765 -51.4791 PRESSAVG: 1554000 68.9905 2.26964 59.5874 2.26963 -59.6871 1.58469 59.5874 1.58474 -10.1204 GPRESSAVG: 1554000 68.9375 2.91098 59.2096 2.41417 -58.6263 -0.060488 60.676 2.47568 -10.3308 TIMING: 1554000 CPU: 4981.95, 0.00313608/step Wall: 4981.95, 0.00313608/step, 3.00193 hours remaining, 233.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1554000 3965.9564 20489.0283 14451.2142 249.5945 -203749.1496 2665.4363 0.0000 0.0000 52032.4583 -109895.4616 299.0313 -161927.9199 -109531.0097 298.3736 150.0459 183.3505 757835.3445 -0.2723 -0.0066 PRESSURE: 1554200 83.5969 48.504 -2.0574 48.5048 -255.765 76.5471 -2.05739 76.5466 -487.824 GPRESSURE: 1554200 166.018 39.0922 28.8308 60.9574 -189.702 63.0283 -192.549 47.9022 -549.394 PRESSAVG: 1554200 92.4121 33.6089 13.3395 33.6089 -21.6343 -8.04292 13.3395 -8.04296 5.27461 GPRESSAVG: 1554200 92.9107 34.5553 11.0151 32.353 -22.5978 -8.22483 13.7767 -11.4543 5.12167 TIMING: 1554200 CPU: 4982.58, 0.00313902/step Wall: 4982.58, 0.00313902/step, 3.00457 hours remaining, 233.429688 MB of memory in use. ENERGY: 1554200 4057.5840 20698.3743 14445.7721 249.5671 -203101.0227 2195.3102 0.0000 0.0000 51769.6778 -109684.7372 297.5210 -161454.4150 -109329.3872 299.5585 -219.9974 -191.0258 759908.5682 25.3508 25.1449 PRESSURE: 1554400 -108.942 114.513 119.164 114.513 -89.9392 25.0486 119.164 25.0487 215.62 GPRESSURE: 1554400 -51.9216 62.5691 140.556 186.779 -19.8893 -46.6018 -46.5293 55.2297 201.359 PRESSAVG: 1554400 44.3629 17.9445 16.075 17.9445 -24.012 -31.8595 16.075 -31.8594 7.06206 GPRESSAVG: 1554400 43.9888 14.5595 18.1481 17.7753 -22.4472 -30.3067 14.8011 -30.8943 5.98505 TIMING: 1554400 CPU: 4983.2, 0.00312878/step Wall: 4983.2, 0.00312878/step, 2.99459 hours remaining, 233.429688 MB of memory in use. ENERGY: 1554400 4004.6718 20645.6695 14526.7374 245.5823 -203835.3519 2632.1879 0.0000 0.0000 52073.1472 -109707.3559 299.2651 -161780.5031 -109357.9123 299.4278 5.5797 43.1827 760694.3811 9.1376 9.1756 PRESSURE: 1554600 168.828 -167.408 55.9758 -167.408 18.6558 -226.603 55.9762 -226.603 523.959 GPRESSURE: 1554600 198.067 -223.208 104.423 -194.801 14.9641 -244.976 -13.6009 -237.929 577.494 PRESSAVG: 1554600 59.0741 -37.1322 26.2953 -37.1322 -39.0773 -32.3392 26.2953 -32.3392 12.3831 GPRESSAVG: 1554600 59.5466 -35.0904 26.3381 -35.5488 -40.2667 -34.7024 27.5986 -28.9218 12.7475 TIMING: 1554600 CPU: 4983.83, 0.00312834/step Wall: 4983.83, 0.00312834/step, 2.994 hours remaining, 233.429688 MB of memory in use. ENERGY: 1554600 4012.6779 20523.9654 14432.3607 246.9930 -203566.7921 2587.7274 0.0000 0.0000 52064.5371 -109698.5306 299.2156 -161763.0677 -109334.7626 299.3714 237.1474 263.5086 762321.9747 10.7933 10.6758 PRESSURE: 1554800 154.03 -230.047 -197.29 -230.047 280.299 83.1519 -197.291 83.1516 644.844 GPRESSURE: 1554800 298.815 -104.141 -185.434 -235.158 270.557 87.9771 -144.528 111.948 601.881 PRESSAVG: 1554800 56.9296 -56.239 -15.0117 -56.239 -53.5314 -26.8253 -15.0117 -26.8254 2.24681 GPRESSAVG: 1554800 56.6779 -57.4516 -15.9731 -57.3286 -53.7433 -25.3358 -14.0154 -27.9186 2.92153 TIMING: 1554800 CPU: 4984.46, 0.00313464/step Wall: 4984.46, 0.00313464/step, 2.99985 hours remaining, 233.429688 MB of memory in use. ENERGY: 1554800 3862.9699 20342.8636 14477.3677 250.7809 -203708.2219 2832.8186 0.0000 0.0000 52006.6868 -109934.7345 298.8831 -161941.4212 -109567.8685 299.1956 359.7241 390.4176 759556.2805 1.8817 1.9520 PRESSURE: 1555000 6.25932 184.441 10.0506 184.44 -28.2857 210.495 10.0508 210.495 10.0522 GPRESSURE: 1555000 -23.0645 143.872 -28.4819 164.062 16.7349 258.602 -36.9334 216.744 74.7136 PRESSAVG: 1555000 22.5614 -22.0366 14.5165 -22.0366 -44.3946 -68.3129 14.5165 -68.3129 5.01816 GPRESSAVG: 1555000 21.671 -19.347 15.8287 -23.0431 -43.9351 -67.866 11.9097 -70.2092 5.12497 TIMING: 1555000 CPU: 4985.08, 0.00312462/step Wall: 4985.08, 0.00312462/step, 2.99008 hours remaining, 233.429688 MB of memory in use. ENERGY: 1555000 4001.6654 20531.4608 14565.8370 251.9872 -203640.1721 2304.7595 0.0000 0.0000 52186.4423 -109798.0199 299.9162 -161984.4622 -109426.1090 298.4426 -3.9914 22.7947 760440.0338 -5.6050 -5.7130 PRESSURE: 1555200 -15.632 -47.509 -232.297 -47.5086 -35.2428 28.3632 -232.297 28.3627 73.9902 GPRESSURE: 1555200 -33.0097 -0.0675812 -149.303 -102.821 27.9307 -85.1522 -130.549 132.398 134.108 PRESSAVG: 1555200 14.3849 -20.4378 -19.4099 -20.4378 -2.55837 -19.5698 -19.41 -19.5698 -1.53213 GPRESSAVG: 1555200 15.2757 -22.494 -20.6658 -20.372 -4.08872 -21.5005 -18.8581 -18.4451 -0.841568 TIMING: 1555200 CPU: 4985.71, 0.00313261/step Wall: 4985.71, 0.00313261/step, 2.99756 hours remaining, 233.429688 MB of memory in use. ENERGY: 1555200 3974.0479 20496.0896 14424.0008 248.6041 -203351.2380 2371.6949 0.0000 0.0000 52059.0873 -109777.7134 299.1843 -161836.8007 -109416.0162 299.1352 7.7051 43.0097 758505.2861 3.4315 3.4485 PRESSURE: 1555400 -327.004 16.0599 91.2104 16.0601 -56.0594 226.958 91.2096 226.959 -49.3031 GPRESSURE: 1555400 -296.343 14.3292 74.4014 76.6938 -10.9433 238.58 88.9283 162.855 -51.4799 PRESSAVG: 1555400 -0.155866 -45.3985 -16.9087 -45.3985 -20.0165 0.719055 -16.9087 0.719063 -16.7077 GPRESSAVG: 1555400 -0.701741 -43.5227 -17.0372 -44.0584 -18.8029 0.648074 -14.8972 0.69437 -16.8665 TIMING: 1555400 CPU: 4986.33, 0.00312252/step Wall: 4986.33, 0.00312252/step, 2.98773 hours remaining, 233.429688 MB of memory in use. ENERGY: 1555400 4076.1625 20269.7577 14496.4857 255.6201 -203122.9733 2194.7113 0.0000 0.0000 52207.9353 -109622.3007 300.0397 -161830.2360 -109249.1764 299.3805 -144.1221 -119.5887 759190.8068 -12.2934 -12.1237 PRESSURE: 1555600 187.337 8.64648 -162.082 8.64651 46.4751 -18.8949 -162.081 -18.8954 -9.76698 GPRESSURE: 1555600 164.123 74.6242 -161.629 180.165 61.0819 -136.154 -271.682 37.6039 77.2132 PRESSAVG: 1555600 28.6229 16.4458 5.48521 16.4458 -31.1989 -6.80183 5.48513 -6.80189 -2.70555 GPRESSAVG: 1555600 28.3104 17.0128 6.45433 16.5583 -30.7187 -7.83199 1.43318 -8.07913 -2.55364 TIMING: 1555600 CPU: 4986.96, 0.00311622/step Wall: 4986.96, 0.00311622/step, 2.98153 hours remaining, 233.429688 MB of memory in use. ENERGY: 1555600 4041.3484 20632.1360 14485.1456 240.2282 -203643.4884 2414.0636 0.0000 0.0000 52112.3900 -109718.1764 299.4906 -161830.5665 -109356.4618 299.5079 74.6818 100.8061 758975.3249 -1.7605 -1.6540 PRESSURE: 1555800 -52.5108 -15.4126 121.224 -15.4133 -524.263 -198.21 121.224 -198.208 -313.654 GPRESSURE: 1555800 -88.9985 -32.9758 73.1575 -42.5516 -428.7 -198.169 94.8751 -153.696 -288.549 PRESSAVG: 1555800 50.0281 14.0822 11.7531 14.0823 -52.0134 -33.2961 11.753 -33.296 -6.83186 GPRESSAVG: 1555800 50.8161 13.5241 8.98465 13.4221 -52.0374 -31.2761 13.9829 -32.3719 -6.83215 TIMING: 1555800 CPU: 4987.58, 0.00313064/step Wall: 4987.58, 0.00313064/step, 2.99515 hours remaining, 233.429688 MB of memory in use. ENERGY: 1555800 4006.6458 20518.2928 14391.8890 244.1180 -203403.1515 2277.9984 0.0000 0.0000 52376.6919 -109587.5157 301.0096 -161964.2076 -109220.6138 299.7228 -296.8092 -268.7493 759234.7323 -2.9391 -2.6845 PRESSURE: 1556000 -72.1033 89.566 -5.52253 89.5665 9.15449 -135.293 -5.52257 -135.294 162.024 GPRESSURE: 1556000 -93.9587 31.878 -34.9896 16.5529 45.9301 -146.515 37.02 6.70887 216.659 PRESSAVG: 1556000 61.7869 25.001 4.8994 25.0009 -70.9043 -11.7682 4.89941 -11.7682 7.61609 GPRESSAVG: 1556000 61.9352 24.4054 6.10917 24.8151 -71.3838 -11.801 5.90787 -12.1279 7.77705 TIMING: 1556000 CPU: 4988.21, 0.00316249/step Wall: 4988.21, 0.00316249/step, 3.02545 hours remaining, 233.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1556000 3972.7072 20462.3851 14518.7960 261.9826 -203433.7256 2427.7970 0.0000 0.0000 52327.6148 -109462.4429 300.7275 -161790.0577 -109103.8797 299.9413 33.0249 56.2100 759984.6293 -0.5004 -0.5572 PRESSURE: 1556200 129.576 -230.534 -9.01045 -230.534 217.473 -275.623 -9.01085 -275.624 48.1597 GPRESSURE: 1556200 191.65 -84.3883 -75.742 -202.665 239.896 -276.459 173.905 -188.269 71.6698 PRESSAVG: 1556200 68.5631 0.481977 3.28007 0.482022 -32.0868 6.50431 3.28012 6.50435 2.96269 GPRESSAVG: 1556200 68.2988 1.72202 4.18758 1.09277 -32.3485 6.45831 2.07532 7.1744 3.65534 TIMING: 1556200 CPU: 4988.84, 0.00314654/step Wall: 4988.84, 0.00314654/step, 3.01002 hours remaining, 233.429688 MB of memory in use. ENERGY: 1556200 4021.9194 20616.6037 14420.8556 232.7688 -203044.0078 2360.9682 0.0000 0.0000 51969.1999 -109421.6923 298.6677 -161390.8922 -109070.1910 299.6528 131.7362 167.7386 760061.4755 13.1464 13.2019 LDB: ============= START OF LOAD BALANCING ============== 5001.26 LDB: ============== END OF LOAD BALANCING =============== 5001.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5001.27 LDB: ============= START OF LOAD BALANCING ============== 5001.58 LDB: Largest compute 7034 load 0.034245 is 17.5% of average load 0.195346 LDB: Average compute 0.004412 is 2.3% of average load 0.195346 LDB: TIME 5001.58 LOAD: AVG 0.195346 MAX 0.211775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.41 MB LDB: TIME 5001.58 LOAD: AVG 0.195346 MAX 0.211775 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: TIME 5001.58 LOAD: AVG 0.195346 MAX 0.211775 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: ============== END OF LOAD BALANCING =============== 5001.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5001.59 PRESSURE: 1556400 202.895 -102.861 268.947 -102.861 53.1713 130.505 268.948 130.504 35.1646 GPRESSURE: 1556400 188.804 -118.058 268.706 -23.2389 37.2377 196.952 227.029 46.2153 165.658 PRESSAVG: 1556400 3.88294 0.37151 52.4159 0.371526 35.7737 -15.2332 52.4159 -15.2332 28.7466 GPRESSAVG: 1556400 3.61013 0.609492 52.6123 -2.23515 36.3247 -14.7777 50.5059 -18.0519 28.3405 TIMING: 1556400 CPU: 4989.48, 0.0032031/step Wall: 4989.48, 0.0032031/step, 3.06394 hours remaining, 230.800781 MB of memory in use. ENERGY: 1556400 3979.7854 20548.4554 14489.2366 248.1832 -203315.8793 2534.1727 0.0000 0.0000 51918.0404 -109598.0055 298.3737 -161516.0460 -109234.8791 299.0771 97.0768 130.5667 760663.0470 22.8011 22.7584 PRESSURE: 1556600 -1.11306 -78.3198 5.80614 -78.3206 -158.198 -113.732 5.80695 -113.731 100.23 GPRESSURE: 1556600 -101.977 -87.6149 -29.7491 28.2179 -39.7503 -125.939 61.9311 -128.865 162.815 PRESSAVG: 1556600 47.5301 -46.0724 -0.570298 -46.0723 -25.0296 -42.5606 -0.570352 -42.5606 5.54624 GPRESSAVG: 1556600 47.1623 -45.6289 -1.54833 -43.9093 -24.8627 -43.5151 1.43304 -41.5522 5.80214 TIMING: 1556600 CPU: 4990.12, 0.00316475/step Wall: 4990.12, 0.00316475/step, 3.02709 hours remaining, 230.800781 MB of memory in use. ENERGY: 1556600 4013.0309 20684.1310 14409.6350 263.7318 -203407.8679 2366.7157 0.0000 0.0000 51814.8048 -109855.8186 297.7804 -161670.6234 -109503.0388 299.1647 -19.6938 7.0293 760216.8207 9.3489 9.3672 PRESSURE: 1556800 285.729 -42.4611 -14.5191 -42.4607 -234.471 33.8569 -14.5194 33.8567 -719.18 GPRESSURE: 1556800 249.569 -38.8025 -44.7213 -62.7751 -172.877 46.0768 -69.0189 35.4027 -637.89 PRESSAVG: 1556800 31.1975 -10.4817 -6.75487 -10.4817 28.8273 -41.7833 -6.75482 -41.7834 15.1144 GPRESSAVG: 1556800 31.7485 -10.9622 -5.13969 -12.1675 29.4787 -42.7503 -6.02034 -38.0719 14.2879 TIMING: 1556800 CPU: 4990.75, 0.00315164/step Wall: 4990.75, 0.00315164/step, 3.01436 hours remaining, 230.800781 MB of memory in use. ENERGY: 1556800 4034.8051 20496.9417 14490.4270 263.1206 -203334.4102 2268.0125 0.0000 0.0000 52012.5613 -109768.5420 298.9169 -161781.1033 -109412.6923 299.0295 -222.6407 -187.0660 760449.7628 25.0464 25.1717 PRESSURE: 1557000 523.127 14.8083 36.4657 14.8086 240.829 -150.742 36.4651 -150.743 145.297 GPRESSURE: 1557000 572.789 -12.8732 23.2762 70.642 199.718 -146.57 111.996 -112.719 222.865 PRESSAVG: 1557000 -2.1107 -29.9185 -25.8137 -29.9185 -41.454 -69.9203 -25.8137 -69.9202 -18.8485 GPRESSAVG: 1557000 -1.83192 -30.2371 -26.9499 -28.1478 -42.3033 -68.9295 -28.6606 -72.7435 -17.8259 TIMING: 1557000 CPU: 4991.37, 0.003125/step Wall: 4991.37, 0.003125/step, 2.98872 hours remaining, 230.800781 MB of memory in use. ENERGY: 1557000 3957.2275 20641.6974 14459.8742 236.2142 -203368.6220 2540.1690 0.0000 0.0000 52156.8534 -109376.5864 299.7462 -161533.4397 -109020.6299 299.5621 303.0846 331.7906 760932.8249 -20.8044 -20.6537 PRESSURE: 1557200 40.9237 -47.6193 38.8978 -47.6196 517.278 70.7756 38.8974 70.7745 -108.693 GPRESSURE: 1557200 113.726 -113.682 59.7638 2.5831 472.337 191.014 150.766 -78.7567 -62.8217 PRESSAVG: 1557200 -13.7832 -29.7169 -0.818838 -29.7169 31.7847 -3.20675 -0.818866 -3.20677 -11.3287 GPRESSAVG: 1557200 -12.7134 -29.4897 -0.459473 -30.8653 31.9792 -1.56354 1.61877 -2.75621 -13.32 TIMING: 1557200 CPU: 4992, 0.00314875/step Wall: 4992, 0.00314875/step, 3.01125 hours remaining, 230.800781 MB of memory in use. ENERGY: 1557200 3992.7497 20605.8558 14552.0742 254.1392 -203527.0838 2601.5947 0.0000 0.0000 52154.4491 -109366.2211 299.7323 -161520.6702 -109010.2336 300.1129 149.8362 174.4137 761503.2777 2.2243 1.9819 PRESSURE: 1557400 -85.7802 59.4999 -10.9669 59.4997 -207.367 52.0599 -10.9672 52.06 327.178 GPRESSURE: 1557400 -78.2106 -68.3848 -27.3785 -85.0958 -164.731 124.911 22.9023 -12.7052 380.288 PRESSAVG: 1557400 -2.84065 -37.0183 18.2499 -37.0183 -3.89041 -28.8597 18.2499 -28.8596 7.3283 GPRESSAVG: 1557400 -3.03565 -38.3597 19.5693 -37.3164 -4.33805 -29.2589 17.3712 -28.0542 7.93404 TIMING: 1557400 CPU: 4992.64, 0.00316383/step Wall: 4992.64, 0.00316383/step, 3.0255 hours remaining, 230.800781 MB of memory in use. ENERGY: 1557400 3994.3052 20445.9451 14517.8268 245.1375 -202874.5928 2175.7031 0.0000 0.0000 52095.7840 -109399.8911 299.3952 -161495.6751 -109029.7855 299.6199 11.3438 45.7822 762493.7114 0.1991 0.1868 PRESSURE: 1557600 -26.1546 -256.189 -37.2503 -256.189 -307.628 -230 -37.2503 -230.002 -6.33062 GPRESSURE: 1557600 24.1087 -264.449 36.4259 -153.222 -224.945 -173.701 -40.5681 -209.675 -21.7874 PRESSAVG: 1557600 31.8276 -70.1523 -9.91098 -70.1522 -8.47809 -28.1296 -9.91095 -28.1297 -6.03297 GPRESSAVG: 1557600 33.2542 -69.4744 -10.6252 -71.7248 -9.15357 -28.7984 -10.432 -29.2162 -5.96005 TIMING: 1557600 CPU: 4993.26, 0.00314085/step Wall: 4993.26, 0.00314085/step, 3.00335 hours remaining, 230.800781 MB of memory in use. ENERGY: 1557600 4010.2294 20595.4565 14492.1382 256.7454 -203235.6866 2301.9846 0.0000 0.0000 52134.5646 -109444.5680 299.6181 -161579.1326 -109095.7710 299.4117 -113.3711 -74.2079 761832.0205 5.7722 6.0469 PRESSURE: 1557800 -325.942 -149.766 66.1833 -149.766 -31.6677 -33.0274 66.1829 -33.0278 -259.953 GPRESSURE: 1557800 -306.102 -30.2835 3.7914 -58.993 -81.1225 -10.3799 -3.86442 -59.4562 -141.217 PRESSAVG: 1557800 15.0171 -18.5148 5.37835 -18.5148 -38.7665 -73.34 5.37833 -73.3399 -11.9378 GPRESSAVG: 1557800 13.8841 -18.0677 5.29039 -17.2499 -37.8234 -72.7734 5.29935 -73.4914 -12.3334 TIMING: 1557800 CPU: 4993.89, 0.003154/step Wall: 4993.89, 0.003154/step, 3.01575 hours remaining, 230.800781 MB of memory in use. ENERGY: 1557800 3980.4037 20483.3313 14511.9429 261.8810 -203287.7453 2336.4239 0.0000 0.0000 52322.3293 -109391.4332 300.6971 -161713.7624 -109027.6122 299.4065 -205.8543 -176.1474 761071.2901 -11.8957 -12.0909 PRESSURE: 1558000 285.297 -46.541 309.081 -46.5416 154.241 171.69 309.081 171.691 134.461 GPRESSURE: 1558000 285.293 -68.1217 309.681 -71.3042 219.1 293.668 201.419 106.012 149.926 PRESSAVG: 1558000 -53.1451 -6.73614 10.9209 -6.73612 0.57441 -26.9395 10.9209 -26.9395 5.18618 GPRESSAVG: 1558000 -53.1893 -6.50692 10.08 -6.77104 1.57967 -27.6184 10.6174 -26.0544 4.47987 TIMING: 1558000 CPU: 4994.53, 0.00318743/step Wall: 4994.53, 0.00318744/step, 3.04754 hours remaining, 230.800781 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: 1558000 4052.2324 20434.7330 14463.5166 261.1433 -203411.7716 2383.8751 0.0000 0.0000 52079.2049 -109737.0661 299.2999 -161816.2710 -109385.0906 299.6964 191.3330 218.1062 759225.5978 -15.7948 -15.7099 PRESSURE: 1558200 238.518 -29.3849 -29.9151 -29.3853 -62.5901 -76.2177 -29.916 -76.2181 -32.5577 GPRESSURE: 1558200 236.047 14.468 -70.5609 -4.80463 44.3976 -78.8038 -50.517 -65.9069 -45.681 PRESSAVG: 1558200 18.7266 -48.3487 -21.3257 -48.3487 -30.3617 1.52099 -21.3257 1.52104 -2.14019 GPRESSAVG: 1558200 18.2333 -46.589 -20.7295 -47.4904 -31.2386 1.40064 -22.7139 3.29874 -0.825627 TIMING: 1558200 CPU: 4995.17, 0.00318514/step Wall: 4995.17, 0.00318514/step, 3.04517 hours remaining, 230.800781 MB of memory in use. ENERGY: 1558200 4047.4071 20459.1515 14514.2028 233.6184 -203301.0774 2309.5775 0.0000 0.0000 51877.2720 -109859.8481 298.1394 -161737.1201 -109506.9155 298.9403 47.7899 78.2547 759191.6851 -4.5917 -4.6103 PRESSURE: 1558400 -331.576 -196.393 -58.0293 -196.394 -507.941 122.597 -58.0289 122.597 -201.67 GPRESSURE: 1558400 -271.044 -157.546 -68.9658 -188.482 -442.813 251.882 -75.9233 89.1696 -240.404 PRESSAVG: 1558400 -20.7055 -43.6853 -16.737 -43.6852 26.2232 -4.55382 -16.737 -4.55375 19.7296 GPRESSAVG: 1558400 -19.1576 -46.0647 -16.5423 -42.6931 25.3436 -2.35491 -15.0991 -6.52046 18.9406 TIMING: 1558400 CPU: 4995.8, 0.0031552/step Wall: 4995.8, 0.0031552/step, 3.01637 hours remaining, 230.800781 MB of memory in use. ENERGY: 1558400 4028.1406 20381.9268 14490.4358 249.6196 -203365.6416 2365.9113 0.0000 0.0000 51965.8985 -109883.7090 298.6487 -161849.6075 -109524.2517 298.7868 -347.0625 -318.0871 760178.6541 8.4158 8.3755 PRESSURE: 1558600 -355.055 -187.569 -273.433 -187.569 -180.395 -124.263 -273.433 -124.263 -357.534 GPRESSURE: 1558600 -319.51 -132.725 -245.612 -150.382 -173.079 -146.287 -235.566 -144.056 -310.038 PRESSAVG: 1558600 -52.1944 -70.9042 -43.2868 -70.9042 45.457 -24.0895 -43.2869 -24.0895 14.0482 GPRESSAVG: 1558600 -53.4214 -70.616 -42.5276 -72.0563 46.904 -25.6897 -43.1824 -25.4236 14.2477 TIMING: 1558600 CPU: 4996.43, 0.00315851/step Wall: 4996.43, 0.00315851/step, 3.01936 hours remaining, 230.800781 MB of memory in use. ENERGY: 1558600 4074.7614 20337.2676 14437.4182 229.9787 -203028.0569 2034.2457 0.0000 0.0000 51861.0995 -110053.2856 298.0465 -161914.3852 -109690.3128 298.3077 -297.6612 -267.5422 760823.1785 2.4369 2.5767 PRESSURE: 1558800 168.7 54.5699 -64.9444 54.5696 -86.0231 68.9404 -64.9446 68.94 -243.579 GPRESSURE: 1558800 226.537 31.7198 -83.3968 32.8949 -58.5778 88.1982 -158.721 71.1103 -229.472 PRESSAVG: 1558800 -11.5895 -18.054 -11.6482 -18.054 15.2062 11.6817 -11.6483 11.6817 1.72678 GPRESSAVG: 1558800 -10.684 -19.3199 -12.3736 -18.624 14.7902 11.5514 -12.6293 11.4661 1.46141 TIMING: 1558800 CPU: 4997.06, 0.0031456/step Wall: 4997.06, 0.0031456/step, 3.00684 hours remaining, 230.800781 MB of memory in use. ENERGY: 1558800 3928.1446 20425.5186 14469.4437 239.1860 -203540.2057 2572.6785 0.0000 0.0000 51851.7787 -110053.4556 297.9929 -161905.2343 -109698.1164 298.2819 -53.6341 -20.5039 759321.3099 1.7812 1.8559 PRESSURE: 1559000 238.509 -38.7156 221.232 -38.7159 59.0325 1.02552 221.232 1.02513 -102.947 GPRESSURE: 1559000 283.021 -79.5997 208.954 25.1121 92.3084 64.632 278.123 -91.8583 -98.6383 PRESSAVG: 1559000 1.64677 24.7072 11.6145 24.7072 -7.25297 11.4181 11.6145 11.4181 -19.479 GPRESSAVG: 1559000 -0.0623205 26.1547 10.5716 25.1792 -6.17552 13.0664 12.9429 11.5877 -18.4936 TIMING: 1559000 CPU: 4997.69, 0.00313818/step Wall: 4997.69, 0.00313818/step, 2.99958 hours remaining, 230.800781 MB of memory in use. ENERGY: 1559000 3892.6641 20268.9661 14478.7392 238.9502 -203125.1926 2483.5990 0.0000 0.0000 51552.5845 -110209.6895 296.2734 -161762.2740 -109848.0700 297.7619 64.8649 92.2303 761942.4622 -8.3617 -8.2438 PRESSURE: 1559200 313.534 -59.2806 -237.927 -59.2813 -313.168 -72.2638 -237.927 -72.264 265.41 GPRESSURE: 1559200 362.114 -22.5305 -206.362 -63.4284 -320.666 -60.162 -143.925 -89.1732 314.643 PRESSAVG: 1559200 73.4694 -3.84098 44.3596 -3.84094 -70.6731 -13.5537 44.3596 -13.5536 14.8864 GPRESSAVG: 1559200 75.5894 -4.18894 44.7658 -4.37337 -72.291 -15.838 45.5536 -12.4937 14.4681 TIMING: 1559200 CPU: 4998.32, 0.00317831/step Wall: 4998.32, 0.00317831/step, 3.03776 hours remaining, 230.800781 MB of memory in use. ENERGY: 1559200 3959.8508 20449.2975 14430.7428 258.5584 -202947.8629 2063.5606 0.0000 0.0000 51809.5058 -109976.3470 297.7499 -161785.8528 -109624.7325 297.5493 88.5922 118.6968 761228.1694 5.8942 5.9222 PRESSURE: 1559400 -263.345 118.216 -83.5402 118.216 -256.311 -22.6266 -83.5398 -22.6267 87.7659 GPRESSURE: 1559400 -331.096 -16.4477 -69.2609 57.3163 -112.53 13.0149 -69.5044 8.20465 114.554 PRESSAVG: 1559400 4.73445 -8.08051 41.7928 -8.08039 -33.8558 35.5969 41.7928 35.597 -17.9896 GPRESSAVG: 1559400 3.94828 -8.80698 42.6491 -7.80349 -32.6633 36.892 43.017 36.3784 -18.0965 TIMING: 1559400 CPU: 4998.96, 0.0031645/step Wall: 4998.96, 0.0031645/step, 3.02439 hours remaining, 230.800781 MB of memory in use. ENERGY: 1559400 4000.3985 20389.5054 14490.6273 248.6866 -203177.7551 2318.9552 0.0000 0.0000 52096.9501 -109632.6319 299.4019 -161729.5821 -109274.1749 298.7012 -143.9634 -109.6905 759992.4400 -15.7036 -15.6038 PRESSURE: 1559600 141.224 26.3143 48.6514 26.3141 60.9012 -123.645 48.6506 -123.644 215.732 GPRESSURE: 1559600 122.519 19.7282 42.3092 36.3536 132.587 -102.722 10.212 -106.171 253.802 PRESSAVG: 1559600 -1.42903 -25.5836 49.2846 -25.5837 13.3971 -76.6302 49.2846 -76.6302 -6.8823 GPRESSAVG: 1559600 -0.539713 -24.9819 49.8574 -26.3964 13.5403 -77.0188 46.5536 -78.9005 -7.66818 TIMING: 1559600 CPU: 4999.58, 0.00313177/step Wall: 4999.58, 0.00313177/step, 2.99293 hours remaining, 230.800781 MB of memory in use. ENERGY: 1559600 3995.1869 20352.2996 14459.3106 253.6984 -203574.9067 2524.0890 0.0000 0.0000 52173.1097 -109817.2126 299.8396 -161990.3223 -109452.7961 298.9485 139.2859 169.6363 760055.8290 1.6953 1.7775 PRESSURE: 1559800 307.486 128.74 43.9725 128.739 377.765 -150.08 43.972 -150.081 142.353 GPRESSURE: 1559800 372.726 24.8358 100.725 89.6822 404.357 -143.006 -21.013 -217.93 135.428 PRESSAVG: 1559800 10.4048 -21.6147 -1.82981 -21.6147 8.19773 7.88488 -1.82981 7.88481 -12.7036 GPRESSAVG: 1559800 10.1623 -22.4234 -3.94858 -20.4919 8.57171 8.55189 -0.958119 8.07 -12.9215 TIMING: 1559800 CPU: 5000.22, 0.00315932/step Wall: 5000.22, 0.00315932/step, 3.01908 hours remaining, 230.800781 MB of memory in use. ENERGY: 1559800 3962.8708 20451.0831 14494.8573 244.4841 -203514.8529 2579.3745 0.0000 0.0000 52074.7840 -109707.3992 299.2745 -161782.1832 -109342.0949 298.6934 275.8676 304.1706 758871.3734 1.9663 1.9375 PRESSURE: 1560000 10.8126 -37.7905 122.806 -37.7907 -141.29 -62.5929 122.806 -62.5932 -282.842 GPRESSURE: 1560000 109.638 35.3444 201.722 7.45398 -127.111 -71.2834 59.2022 -161.048 -305.732 PRESSAVG: 1560000 16.1012 -51.1717 -1.2868 -51.1717 5.72116 12.9594 -1.28682 12.9594 6.19404 GPRESSAVG: 1560000 16.9126 -48.7706 0.100063 -50.0928 5.28267 12.4332 -0.856502 12.4608 5.74759 TIMING: 1560000 CPU: 5000.85, 0.00316653/step Wall: 5000.85, 0.00316653/step, 3.02579 hours remaining, 230.800781 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: 1560000 4023.2182 20442.2770 14499.0178 248.8899 -203305.8338 2339.7110 0.0000 0.0000 52002.8482 -109749.8716 298.8611 -161752.7199 -109386.4281 298.7515 -137.7732 -107.7353 759791.4344 9.3388 9.3143 PRESSURE: 1560200 307.844 48.0312 -369.702 48.0303 60.8167 -159.306 -369.702 -159.306 488.604 GPRESSURE: 1560200 318.307 -34.4679 -366.719 54.868 153.03 -190.903 -315.234 -18.7796 479.074 PRESSAVG: 1560200 19.5678 -59.773 17.0875 -59.773 10.5082 1.91277 17.0874 1.91273 -4.41269 GPRESSAVG: 1560200 18.9433 -62.1064 16.5889 -61.7748 9.41971 1.79705 16.5121 3.89361 -2.75351 TIMING: 1560200 CPU: 5001.48, 0.00315457/step Wall: 5001.48, 0.00315457/step, 3.01419 hours remaining, 230.800781 MB of memory in use. ENERGY: 1560200 3997.4500 20307.3247 14451.0384 242.1858 -203533.9257 2617.7602 0.0000 0.0000 52078.1100 -109840.0566 299.2936 -161918.1665 -109475.7180 298.3130 285.7547 316.8038 761332.1179 8.5544 8.5365 LDB: ============= START OF LOAD BALANCING ============== 5013.9 LDB: ============== END OF LOAD BALANCING =============== 5013.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5013.9 LDB: ============= START OF LOAD BALANCING ============== 5014.22 LDB: Largest compute 7034 load 0.035249 is 18.0% of average load 0.195351 LDB: Average compute 0.004411 is 2.3% of average load 0.195351 LDB: TIME 5014.22 LOAD: AVG 0.195351 MAX 0.213671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 5014.22 LOAD: AVG 0.195351 MAX 0.213671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: TIME 5014.22 LOAD: AVG 0.195351 MAX 0.213671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: ============== END OF LOAD BALANCING =============== 5014.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5014.23 PRESSURE: 1560400 -123.767 27.7353 221.676 27.7359 -97.5629 108.313 221.675 108.313 264.143 GPRESSURE: 1560400 -47.6562 -39.927 219.962 160.242 -57.1186 168.954 275.243 -25.1316 266.185 PRESSAVG: 1560400 30.7023 3.9228 27.0698 3.92283 -65.281 6.7288 27.0697 6.72888 2.65574 GPRESSAVG: 1560400 30.5956 2.56212 25.9057 5.75317 -65.0938 6.36973 29.3562 6.65237 2.68375 TIMING: 1560400 CPU: 5002.12, 0.00322419/step Wall: 5002.12, 0.00322419/step, 3.08054 hours remaining, 231.128906 MB of memory in use. ENERGY: 1560400 3968.4189 20452.8108 14498.3812 237.2966 -203465.6555 2705.9207 0.0000 0.0000 51936.8087 -109666.0187 298.4816 -161602.8274 -109315.4452 298.6990 14.2710 53.8033 762426.4034 -10.6410 -10.6048 PRESSURE: 1560600 177.581 -134.577 21.2309 -134.577 -11.9039 185.601 21.2315 185.6 10.5079 GPRESSURE: 1560600 146.164 -141.605 -45.1267 -23.3641 136.803 159.064 -27.1778 75.352 -25.8726 PRESSAVG: 1560600 -18.0412 -24.5872 27.7255 -24.5872 0.501957 -14.5786 27.7254 -14.5786 -17.8737 GPRESSAVG: 1560600 -19.33 -21.3916 29.7758 -25.5645 0.909626 -16.163 26.2221 -14.6239 -17.6863 TIMING: 1560600 CPU: 5002.76, 0.00317787/step Wall: 5002.76, 0.00317787/step, 3.0361 hours remaining, 231.128906 MB of memory in use. ENERGY: 1560600 3961.6468 20403.0325 14516.1956 248.2230 -203336.2404 2488.8467 0.0000 0.0000 52227.1172 -109491.1785 300.1500 -161718.2957 -109130.9389 299.4782 58.7284 85.6980 760867.4753 -11.8043 -12.0356 PRESSURE: 1560800 94.5914 -57.8199 -18.2839 -57.8203 -271.64 -104.613 -18.2842 -104.613 -578.72 GPRESSURE: 1560800 165.106 6.41895 -61.2113 10.5133 -301.255 25.9503 -28.5815 -282.782 -555.904 PRESSAVG: 1560800 2.82001 -39.519 -16.1993 -39.519 -7.31046 -73.298 -16.1993 -73.2979 -3.5369 GPRESSAVG: 1560800 3.8373 -41.9055 -17.2842 -37.8457 -9.43401 -71.2 -16.0314 -73.2663 -3.08329 TIMING: 1560800 CPU: 5003.39, 0.00315136/step Wall: 5003.39, 0.00315136/step, 3.0106 hours remaining, 231.128906 MB of memory in use. ENERGY: 1560800 4038.8176 20546.7893 14538.6949 268.4939 -203123.5345 2454.2196 0.0000 0.0000 51865.6550 -109410.8642 298.0726 -161276.5192 -109045.7775 299.3315 -251.9226 -230.6843 760668.3039 -2.6758 -2.8933 PRESSURE: 1561000 42.7354 66.3921 -108.246 66.3919 -32.6206 5.01917 -108.246 5.01924 -173.776 GPRESSURE: 1561000 23.0974 92.3779 -102.153 64.5509 53.2546 -2.99574 -121.298 74.4007 -162.745 PRESSAVG: 1561000 -24.5953 5.11892 -13.0067 5.11892 7.29752 -60.5093 -13.0067 -60.5094 -1.45364 GPRESSAVG: 1561000 -25.7478 4.10437 -12.5188 3.86673 9.17852 -61.3043 -13.2228 -61.2196 -2.14916 TIMING: 1561000 CPU: 5004.02, 0.00315729/step Wall: 5004.02, 0.00315729/step, 3.01609 hours remaining, 231.128906 MB of memory in use. ENERGY: 1561000 4001.4173 20362.3358 14528.3617 249.5898 -203237.7940 2525.3360 0.0000 0.0000 52208.2339 -109362.5195 300.0414 -161570.7534 -108990.6690 299.4460 -54.5537 -28.7978 760504.1640 -6.2505 -6.2395 PRESSURE: 1561200 -20.1944 -57.1698 -109.124 -57.1699 -7.79618 24.6376 -109.124 24.637 -219.109 GPRESSURE: 1561200 -56.2641 -178.654 -129.459 -125.966 150.835 -28.5904 20.2515 -53.6927 -255.699 PRESSAVG: 1561200 -16.1652 -23.9301 -19.4906 -23.9301 20.5344 -56.2281 -19.4906 -56.2281 20.6496 GPRESSAVG: 1561200 -14.6975 -20.3064 -19.4862 -26.0179 21.0321 -54.8418 -21.0807 -56.9039 18.8782 TIMING: 1561200 CPU: 5004.65, 0.00315923/step Wall: 5004.65, 0.00315923/step, 3.01777 hours remaining, 231.128906 MB of memory in use. ENERGY: 1561200 3998.4560 20660.7197 14485.4163 229.7572 -203226.9697 2477.4838 0.0000 0.0000 51925.2541 -109449.8826 298.4151 -161375.1367 -109095.0328 299.5799 -82.3665 -53.7096 762225.8065 8.3396 8.4043 PRESSURE: 1561400 50.0882 41.3135 -78.3029 41.3135 386.38 -89.9291 -78.3033 -89.929 100.887 GPRESSURE: 1561400 134.22 121.344 -82.3861 22.3466 335.812 11.0236 33.0271 -31.9148 154.851 PRESSAVG: 1561400 -45.371 -24.7781 -21.0616 -24.7781 48.7334 -30.4632 -21.0616 -30.4632 -25.1234 GPRESSAVG: 1561400 -45.217 -23.7322 -20.5803 -23.5583 47.8851 -31.2328 -18.699 -28.6832 -24.2718 TIMING: 1561400 CPU: 5005.28, 0.00313174/step Wall: 5005.28, 0.00313174/step, 2.99133 hours remaining, 231.128906 MB of memory in use. ENERGY: 1561400 4041.8221 20488.0085 14572.4244 261.5321 -203248.1938 2435.8000 0.0000 0.0000 52183.3807 -109265.2260 299.8986 -161448.6067 -108900.4839 299.7323 179.1182 208.2941 762203.5442 -7.2536 -7.2012 PRESSURE: 1561600 11.0402 -112.097 156.072 -112.097 199.48 119.657 156.071 119.658 438.451 GPRESSURE: 1561600 4.19533 -75.284 210.44 -130.268 263.277 57.9104 33.8189 70.1504 484.38 PRESSAVG: 1561600 -69.6826 -19.871 -20.9254 -19.871 103.092 -33.4016 -20.9254 -33.4015 -3.93433 GPRESSAVG: 1561600 -69.6363 -19.3134 -21.8644 -19.8123 102.57 -33.7993 -22.7821 -34.5776 -3.3858 TIMING: 1561600 CPU: 5005.91, 0.00313755/step Wall: 5005.91, 0.00313755/step, 2.99671 hours remaining, 231.128906 MB of memory in use. ENERGY: 1561600 4004.9003 20401.3069 14573.7710 264.0003 -203316.9605 2579.1626 0.0000 0.0000 52266.2392 -109227.5801 300.3748 -161493.8194 -108862.9994 300.3712 216.3238 250.6173 759382.1202 9.8249 9.8492 PRESSURE: 1561800 109.868 -224.957 199.576 -224.957 -257.119 -227.929 199.577 -227.928 -355.171 GPRESSURE: 1561800 145.37 -115.806 194.123 -192.382 -185.159 -181.763 83.4661 -238.979 -366.492 PRESSAVG: 1561800 19.3276 12.4087 -11.1248 12.4087 -13.394 -57.5855 -11.1248 -57.5855 -1.16927 GPRESSAVG: 1561800 17.4857 11.6185 -9.47309 13.783 -12.4702 -56.5823 -10.5027 -59.2466 -0.405754 TIMING: 1561800 CPU: 5006.54, 0.00314577/step Wall: 5006.54, 0.00314577/step, 3.00438 hours remaining, 231.128906 MB of memory in use. ENERGY: 1561800 3970.2525 20419.5126 14517.9981 271.7082 -203268.9461 2540.0399 0.0000 0.0000 52405.7910 -109143.6438 301.1768 -161549.4348 -108780.4647 300.0112 -167.4741 -135.4269 761144.1783 1.5881 1.5366 PRESSURE: 1562000 191.113 -54.1042 27.1865 -54.1027 19.8968 -150.799 27.1866 -150.799 -189.748 GPRESSURE: 1562000 148.596 -186.026 0.701243 52.9129 36.9453 -89.2761 -7.9484 -92.5027 -90.4098 PRESSAVG: 1562000 -33.5345 -63.1015 5.644 -63.1015 38.2818 -67.2498 5.64397 -67.2498 -13.6311 GPRESSAVG: 1562000 -32.8883 -65.181 3.20568 -64.0551 37.6902 -67.8586 6.67759 -66.9649 -14.2469 TIMING: 1562000 CPU: 5007.17, 0.00317021/step Wall: 5007.17, 0.00317021/step, 3.02755 hours remaining, 231.128906 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: 1562000 4008.3496 20724.7719 14502.9798 225.1804 -203284.4962 2453.2025 0.0000 0.0000 52302.1648 -109067.8474 300.5813 -161370.0122 -108708.6132 300.3497 7.0871 31.7106 760396.2788 -2.9613 -3.1483 PRESSURE: 1562200 132.241 -114.454 -123.004 -114.454 264.4 -104.607 -123.005 -104.607 77.7423 GPRESSURE: 1562200 226.515 -179.216 -87.7119 -171.698 332.869 -8.40814 -131.311 -144.742 2.04186 PRESSAVG: 1562200 32.3628 -47.8619 26.1813 -47.862 -17.3124 -24.0052 26.1813 -24.0052 0.214599 GPRESSAVG: 1562200 32.2522 -45.9386 27.5117 -48.9951 -16.6911 -23.4652 24.4738 -23.2228 -0.0518347 TIMING: 1562200 CPU: 5007.8, 0.0031441/step Wall: 5007.8, 0.0031441/step, 3.00244 hours remaining, 231.128906 MB of memory in use. ENERGY: 1562200 4063.6513 20490.2547 14511.3431 241.3231 -203150.7565 2571.2137 0.0000 0.0000 52328.6444 -108944.3261 300.7334 -161272.9705 -108568.5480 300.6141 158.1280 187.1422 759862.9181 5.0883 5.1697 PRESSURE: 1562400 -95.38 -27.6403 -55.1531 -27.6401 -224.899 -191.834 -55.154 -191.834 393.927 GPRESSURE: 1562400 33.0489 -6.82078 -15.0048 157.046 -167.175 -254.161 -22.4042 -84.7286 298.94 PRESSAVG: 1562400 -14.2255 -38.2968 1.31514 -38.2968 -3.90608 -81.6788 1.3151 -81.6787 -5.7976 GPRESSAVG: 1562400 -13.6765 -39.7044 0.186859 -36.0744 -3.87367 -81.9879 1.1856 -81.4918 -5.86796 TIMING: 1562400 CPU: 5008.43, 0.00314226/step Wall: 5008.43, 0.00314226/step, 3.0005 hours remaining, 231.128906 MB of memory in use. ENERGY: 1562400 3972.2148 20561.6312 14580.7244 252.5079 -203158.6910 2401.5029 0.0000 0.0000 52390.7929 -108999.3169 301.0906 -161390.1098 -108639.4123 300.1176 24.5490 54.9380 761613.6598 -7.9764 -7.8061 PRESSURE: 1562600 -194.869 -10.9871 -191.11 -10.9873 -80.3347 128.707 -191.111 128.708 17.3668 GPRESSURE: 1562600 -96.428 -35.2922 -312.626 17.3116 -122.015 91.5288 -87.4166 67.2033 41.5146 PRESSAVG: 1562600 17.7509 -41.3918 15.027 -41.3918 -5.80426 -6.94451 15.027 -6.9446 -3.19518 GPRESSAVG: 1562600 18.0096 -40.4775 15.1421 -43.1185 -4.31881 -7.05305 17.4525 -7.65629 -4.06952 TIMING: 1562600 CPU: 5009.06, 0.00315083/step Wall: 5009.06, 0.00315083/step, 3.00851 hours remaining, 231.128906 MB of memory in use. ENERGY: 1562600 3986.0680 20512.5303 14593.0694 258.8493 -203002.8502 2362.9380 0.0000 0.0000 52280.3930 -109009.0023 300.4561 -161289.3953 -108651.8693 300.9054 -85.9458 -58.9760 761610.7817 2.9171 3.2071 PRESSURE: 1562800 123.442 -23.0335 -46.2522 -23.0334 252.152 -152.256 -46.2522 -152.256 321.433 GPRESSURE: 1562800 211.231 19.1077 -143.942 -9.88212 251.292 -25.7887 7.56086 -178.199 335.494 PRESSAVG: 1562800 41.0185 -57.8345 -17.2119 -57.8345 -27.3407 23.6382 -17.212 23.6381 19.2742 GPRESSAVG: 1562800 39.8219 -57.9875 -18.3737 -56.5954 -27.9942 24.0353 -17.3583 22.5572 21.6342 TIMING: 1562800 CPU: 5009.69, 0.0031367/step Wall: 5009.69, 0.0031367/step, 2.99485 hours remaining, 231.128906 MB of memory in use. ENERGY: 1562800 3964.8936 20357.1483 14560.6082 232.7591 -203214.6590 2657.7384 0.0000 0.0000 52180.8971 -109260.6142 299.8843 -161441.5113 -108883.9868 300.3508 232.3425 266.0059 761212.1032 10.9840 11.1539 PRESSURE: 1563000 105.214 -44.1134 187.334 -44.1133 -49.9839 -80.3127 187.333 -80.3127 162.815 GPRESSURE: 1563000 70.4902 -27.2793 97.3093 -18.6327 75.9804 -135.899 174.647 1.95609 173.805 PRESSAVG: 1563000 102.687 -4.94866 51.768 -4.94874 -93.6042 -13.8526 51.7679 -13.8526 22.0016 GPRESSAVG: 1563000 102.351 -5.11762 52.5295 -5.23583 -93.2295 -15.875 49.5806 -11.9449 21.3358 TIMING: 1563000 CPU: 5010.31, 0.00313577/step Wall: 5010.31, 0.00313577/step, 2.99379 hours remaining, 231.128906 MB of memory in use. ENERGY: 1563000 4060.1543 20524.0974 14509.6039 229.3422 -203599.3127 2508.2720 0.0000 0.0000 52483.7675 -109284.0755 301.6249 -161767.8430 -108918.7235 300.2337 72.6814 106.7584 760102.6787 10.3614 10.1524 PRESSURE: 1563200 239.092 -140.189 128.327 -140.19 -171.133 41.4764 128.326 41.4765 24.8486 GPRESSURE: 1563200 277.541 -42.0435 126.34 -126.484 -87.8332 68.8597 271.122 9.33149 -7.06565 PRESSAVG: 1563200 58.1699 33.324 17.1895 33.3241 -110.55 -26.9139 17.1895 -26.9139 -19.1077 GPRESSAVG: 1563200 59.1696 30.8334 16.8955 34.067 -110.604 -25.3181 19.9773 -29.0041 -20.0558 TIMING: 1563200 CPU: 5010.95, 0.00317264/step Wall: 5010.95, 0.00317264/step, 3.02881 hours remaining, 231.128906 MB of memory in use. ENERGY: 1563200 4000.1352 20561.5384 14541.1360 233.1324 -203255.5889 2660.3614 0.0000 0.0000 51748.2711 -109511.0144 297.3980 -161259.2855 -109150.5096 299.4374 30.9358 60.8808 760407.5137 -23.8293 -23.8302 PRESSURE: 1563400 -84.2086 29.5431 3.61455 29.5426 -345.381 51.1727 3.6152 51.1735 -418.534 GPRESSURE: 1563400 -95.8467 -61.6646 -57.9416 -119.51 -236.383 61.0774 54.8724 70.9848 -422.286 PRESSAVG: 1563400 67.1506 -11.9485 14.0854 -11.9485 -53.4362 -2.78365 14.0854 -2.78357 -0.708636 GPRESSAVG: 1563400 66.0468 -8.78365 15.0774 -13.1896 -53.5392 -3.36349 12.6783 -1.7935 0.257476 TIMING: 1563400 CPU: 5011.58, 0.00316257/step Wall: 5011.58, 0.00316257/step, 3.01903 hours remaining, 231.128906 MB of memory in use. ENERGY: 1563400 4029.5696 20645.6111 14484.8018 244.3059 -203073.7508 2192.6499 0.0000 0.0000 52056.5748 -109420.2378 299.1699 -161476.8126 -109056.2719 299.5421 -282.7079 -251.5054 760919.8003 4.3353 4.2550 PRESSURE: 1563600 147.622 -211.718 -13.5565 -211.717 -177.118 -90.0865 -13.5562 -90.0865 39.1134 GPRESSURE: 1563600 145.425 -134.448 22.463 -292.557 -86.749 -87.9583 57.8447 -149.5 31.2774 PRESSAVG: 1563600 24.9093 -25.561 20.6785 -25.561 -50.0562 -36.6929 20.6785 -36.693 6.64708 GPRESSAVG: 1563600 25.5652 -24.5098 20.8813 -26.8914 -50.0368 -36.3598 19.002 -37.653 6.56217 TIMING: 1563600 CPU: 5012.21, 0.00314305/step Wall: 5012.21, 0.00314305/step, 3.00022 hours remaining, 231.128906 MB of memory in use. ENERGY: 1563600 4052.2947 20451.5896 14437.4316 268.3586 -203243.0482 2437.2762 0.0000 0.0000 52137.9250 -109458.1726 299.6374 -161596.0976 -109093.4260 299.3456 3.2056 29.9844 760477.2408 -6.1666 -5.9698 PRESSURE: 1563800 -25.6289 -43.6649 13.8275 -43.6644 -151.843 -98.4637 13.8283 -98.4644 -311.974 GPRESSURE: 1563800 4.58 6.35112 18.6276 -16.8296 -162.755 -172.596 66.456 -159.282 -244.679 PRESSAVG: 1563800 31.5946 -5.94097 -37.8545 -5.94094 -40.9388 -21.5151 -37.8545 -21.5151 2.35709 GPRESSAVG: 1563800 32.5417 -8.66685 -38.4148 -4.50641 -41.4054 -23.5003 -34.8343 -18.8677 1.64912 TIMING: 1563800 CPU: 5012.84, 0.00314686/step Wall: 5012.84, 0.00314686/step, 3.00368 hours remaining, 231.128906 MB of memory in use. ENERGY: 1563800 4073.8176 20581.5430 14477.1800 264.5728 -203216.8892 2275.2569 0.0000 0.0000 51954.0485 -109590.4704 298.5806 -161544.5189 -109233.0860 299.0451 -163.1486 -134.2844 761538.7634 -2.3290 -2.4049 PRESSURE: 1564000 -363.351 24.949 -156.885 24.9493 -513.834 -240.225 -156.884 -240.227 -78.9503 GPRESSURE: 1564000 -248.809 -22.9491 -114.503 24.4189 -546.344 -213.915 -114.294 -212.221 -51.0832 PRESSAVG: 1564000 46.1637 -57.5558 1.40344 -57.5558 -42.5727 -67.1888 1.40345 -67.1887 6.41772 GPRESSAVG: 1564000 45.8654 -56.7532 1.76597 -57.5365 -43.4068 -66.7155 -1.21938 -69.4696 7.70212 TIMING: 1564000 CPU: 5013.47, 0.00316842/step Wall: 5013.47, 0.00316842/step, 3.02408 hours remaining, 231.128906 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: 1564000 4005.8178 20545.7215 14465.1251 258.7465 -203484.5592 2516.6713 0.0000 0.0000 52001.3426 -109691.1344 298.8524 -161692.4770 -109333.2396 298.7220 -318.7117 -282.0788 762260.9343 3.3363 3.3869 PRESSURE: 1564200 -204.323 115.594 28.1696 115.593 174.036 91.3744 28.1695 91.3738 -206.12 GPRESSURE: 1564200 -147.74 111.099 43.5369 75.8938 239.203 115.348 38.0934 117.689 -242.86 PRESSAVG: 1564200 30.2843 -65.051 -15.2879 -65.051 -18.6415 -53.6477 -15.2879 -53.6477 -10.779 GPRESSAVG: 1564200 30.4977 -63.0008 -13.7098 -64.6861 -17.2157 -53.5349 -15.5439 -52.7573 -12.802 TIMING: 1564200 CPU: 5014.1, 0.00313781/step Wall: 5014.1, 0.00313781/step, 2.99469 hours remaining, 231.128906 MB of memory in use. ENERGY: 1564200 3956.5373 20553.3771 14401.2350 246.4549 -203601.9209 2757.1998 0.0000 0.0000 51947.3487 -109739.7680 298.5421 -161687.1167 -109384.3372 299.2204 -78.8022 -50.4656 761388.4116 0.2879 0.1600 LDB: ============= START OF LOAD BALANCING ============== 5026.52 LDB: ============== END OF LOAD BALANCING =============== 5026.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5026.52 LDB: ============= START OF LOAD BALANCING ============== 5026.84 LDB: Largest compute 7047 load 0.034404 is 17.6% of average load 0.195390 LDB: Average compute 0.004407 is 2.3% of average load 0.195390 LDB: TIME 5026.84 LOAD: AVG 0.19539 MAX 0.210523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.754 MB LDB: TIME 5026.84 LOAD: AVG 0.19539 MAX 0.210523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: TIME 5026.84 LOAD: AVG 0.19539 MAX 0.210523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: ============== END OF LOAD BALANCING =============== 5026.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5026.85 PRESSURE: 1564400 75.2024 25.5955 -110.385 25.5966 -46.0575 -11.9378 -110.385 -11.9382 -444.067 GPRESSURE: 1564400 -28.0246 -8.53311 -113.487 -158.934 67.7356 -27.6141 -138.13 3.46749 -381.961 PRESSAVG: 1564400 -45.7521 -44.0943 -14.3469 -44.0943 29.5226 -23.3645 -14.347 -23.3644 2.37562 GPRESSAVG: 1564400 -47.1549 -45.5396 -15.0538 -45.9071 29.047 -23.7846 -15.4974 -23.7791 4.23771 TIMING: 1564400 CPU: 5014.74, 0.00321945/step Wall: 5014.74, 0.00321944/step, 3.07242 hours remaining, 231.242188 MB of memory in use. ENERGY: 1564400 4042.5658 20605.8932 14415.5400 251.7138 -203866.9684 2900.9379 0.0000 0.0000 51933.3540 -109716.9637 298.4617 -161650.3177 -109365.8874 298.6124 -138.3075 -114.0833 760789.7882 -4.6180 -4.6234 PRESSURE: 1564600 -402.646 -52.3414 -80.6747 -52.3422 -43.4786 61.5486 -80.6752 61.5486 -244.487 GPRESSURE: 1564600 -261.66 -66.7557 -86.3302 -110.043 -117.04 196.808 -13.1847 12.0277 -234.628 PRESSAVG: 1564600 -31.3612 -21.4847 1.00164 -21.4847 -27.8376 -20.3807 1.00167 -20.3807 -7.5956 GPRESSAVG: 1564600 -29.8774 -22.5651 1.81033 -18.6821 -29.8025 -18.6663 2.19243 -22.2687 -7.02921 TIMING: 1564600 CPU: 5015.37, 0.00313697/step Wall: 5015.37, 0.00313697/step, 2.99354 hours remaining, 231.242188 MB of memory in use. ENERGY: 1564600 3969.2485 20542.1043 14423.3365 252.2602 -203723.9103 2575.4542 0.0000 0.0000 52127.6393 -109833.8673 299.5783 -161961.5066 -109474.0149 298.6128 -230.2037 -204.4425 761621.5197 -22.2648 -22.2364 PRESSURE: 1564800 -69.5224 -97.5752 -0.79684 -97.5754 -112.216 -53.0716 -0.795789 -53.0715 -149.74 GPRESSURE: 1564800 -31.1774 -101.271 -24.6449 -23.017 -75.8958 -68.8681 132.609 -4.77822 -142.25 PRESSAVG: 1564800 0.0177582 -38.1787 -1.63673 -38.1787 -35.8965 3.59159 -1.63682 3.59159 5.4742 GPRESSAVG: 1564800 -1.82738 -38.9174 -4.05501 -39.7246 -33.9611 3.60901 -0.339549 3.59169 4.65898 TIMING: 1564800 CPU: 5016, 0.00314886/step Wall: 5016, 0.00314886/step, 3.00471 hours remaining, 231.242188 MB of memory in use. ENERGY: 1564800 3990.6878 20550.2654 14493.3766 238.0794 -203416.6267 2391.6963 0.0000 0.0000 52078.3848 -109674.1362 299.2952 -161752.5211 -109305.9580 299.2828 -110.4930 -83.1076 760874.7813 -10.1348 -10.3765 PRESSURE: 1565000 -238.342 129.721 119.105 129.722 -57.578 -96.6011 119.106 -96.6027 -173.959 GPRESSURE: 1565000 -179.244 142.406 139.965 114.71 -89.0558 -80.8789 157.188 42.5457 -131.074 PRESSAVG: 1565000 -18.6234 30.5105 1.31418 30.5105 -3.58963 -11.9051 1.31415 -11.9051 11.0099 GPRESSAVG: 1565000 -18.3183 33.3839 2.0671 30.6361 -4.20725 -12.6833 0.62144 -10.0925 11.0003 TIMING: 1565000 CPU: 5016.63, 0.00313102/step Wall: 5016.63, 0.00313102/step, 2.98752 hours remaining, 231.242188 MB of memory in use. ENERGY: 1565000 3972.5347 20678.4386 14523.3876 239.2229 -203754.1283 2429.4918 0.0000 0.0000 52046.1002 -109864.9524 299.1097 -161911.0526 -109508.2662 299.4210 -156.6264 -133.1244 761333.3588 -3.7344 -3.8418 PRESSURE: 1565200 48.4021 171.316 167.081 171.315 138.029 57.0695 167.081 57.0691 -58.9904 GPRESSURE: 1565200 139.49 148.641 242.267 214.252 182.767 -41.934 158.787 -91.8287 -97.0853 PRESSAVG: 1565200 -46.4474 3.31056 -18.8434 3.31057 38.7068 -29.2971 -18.8433 -29.2971 22.571 GPRESSAVG: 1565200 -45.38 2.64278 -19.083 3.56787 38.7387 -27.7566 -18.2118 -30.3014 21.7853 TIMING: 1565200 CPU: 5017.25, 0.00312611/step Wall: 5017.25, 0.00312611/step, 2.98265 hours remaining, 231.242188 MB of memory in use. ENERGY: 1565200 3947.4540 20393.1388 14435.7594 243.0680 -203563.9663 2651.2774 0.0000 0.0000 51959.3162 -109933.9524 298.6109 -161893.2685 -109570.7589 298.7103 42.4802 75.0572 760487.1096 4.9434 5.0480 PRESSURE: 1565400 -179.539 -21.0684 162.81 -21.0691 -309.373 -258.48 162.809 -258.48 327.028 GPRESSURE: 1565400 -99.9615 -114.615 104.243 -113.704 -250.034 -229.635 194.702 -217.515 259.949 PRESSAVG: 1565400 -34.6911 -45.2239 -34.745 -45.2239 9.5858 -22.921 -34.745 -22.9211 9.71256 GPRESSAVG: 1565400 -35.3601 -44.1961 -34.8573 -45.1883 8.71963 -24.4026 -34.0751 -23.8682 11.4857 TIMING: 1565400 CPU: 5017.88, 0.00312544/step Wall: 5017.88, 0.00312543/step, 2.98184 hours remaining, 231.242188 MB of memory in use. ENERGY: 1565400 3995.1877 20507.6794 14495.3543 247.7346 -203506.4186 2501.0958 0.0000 0.0000 51954.5569 -109804.8099 298.5836 -161759.3667 -109438.6012 298.2834 -53.9615 -30.0156 762547.2775 -5.1309 -5.0516 PRESSURE: 1565600 -166.4 25.2314 124.784 25.231 -265.676 75.8663 124.784 75.8659 -820.321 GPRESSURE: 1565600 -216.584 -21.5803 114.886 89.7816 -178.523 43.4112 48.9431 99.5822 -788.776 PRESSAVG: 1565600 -40.283 23.1836 17.7432 23.1835 -0.362943 -50.8452 17.7432 -50.8453 -3.78444 GPRESSAVG: 1565600 -40.5628 22.4322 17.2811 23.3531 0.737067 -51.7472 16.5654 -49.633 -5.06975 TIMING: 1565600 CPU: 5018.5, 0.00312558/step Wall: 5018.5, 0.00312558/step, 2.98181 hours remaining, 231.242188 MB of memory in use. ENERGY: 1565600 4006.8751 20534.8217 14459.1101 253.5694 -203418.1051 2290.6059 0.0000 0.0000 52036.4227 -109836.7002 299.0540 -161873.1229 -109473.4801 298.3980 -417.4657 -394.6277 762013.9652 -14.8101 -14.9651 PRESSURE: 1565800 -282.689 83.1451 -12.5039 83.1457 234.015 -59.8141 -12.5041 -59.8151 -442.546 GPRESSURE: 1565800 -148.956 4.92401 -38.5605 86.3026 117.981 -83.7882 -115.885 -83.0331 -367.389 PRESSAVG: 1565800 -6.26882 -50.2672 -11.9737 -50.2671 22.9014 41.1462 -11.9737 41.1461 3.32181 GPRESSAVG: 1565800 -4.99098 -50.8622 -12.4819 -50.7295 21.9835 40.6588 -10.024 41.1138 2.80532 TIMING: 1565800 CPU: 5019.13, 0.00311868/step Wall: 5019.13, 0.00311868/step, 2.97505 hours remaining, 231.242188 MB of memory in use. ENERGY: 1565800 3983.8959 20643.8387 14480.8577 246.2160 -203713.4007 2652.1827 0.0000 0.0000 51844.5615 -109861.8482 297.9514 -161706.4097 -109505.1410 298.4172 -163.7403 -132.7879 761466.6929 6.6515 6.5993 PRESSURE: 1566000 -127.458 16.4319 76.2865 16.4321 -264.768 29.8527 76.288 29.8537 -22.1834 GPRESSURE: 1566000 -72.8258 -114.311 168.187 31.2185 -180.038 28.9989 166.033 -11.5806 -35.6549 PRESSAVG: 1566000 19.0472 -54.1473 5.06522 -54.1473 28.3642 -24.3583 5.06518 -24.3582 1.34057 GPRESSAVG: 1566000 17.7264 -52.7068 7.94929 -52.1502 29.0389 -22.2914 4.72044 -25.5018 1.63407 TIMING: 1566000 CPU: 5019.75, 0.00313255/step Wall: 5019.75, 0.00313255/step, 2.9881 hours remaining, 231.242188 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: 1566000 4002.4524 20550.4077 14491.8269 227.4907 -203891.2530 2825.7370 0.0000 0.0000 52107.4494 -109685.8888 299.4622 -161793.3382 -109317.6345 299.2450 -138.1366 -96.1730 762523.6007 16.2507 16.1331 PRESSURE: 1566200 -166.81 242.628 -205.941 242.627 -73.5909 -49.4543 -205.94 -49.4536 -338.473 GPRESSURE: 1566200 -227.259 88.221 -251.026 180.966 -24.689 -53.5365 -229.847 -99.9389 -232.642 PRESSAVG: 1566200 18.3617 18.1134 39.2714 18.1134 2.07605 -56.1245 39.2714 -56.1244 -31.9937 GPRESSAVG: 1566200 17.0143 18.1428 38.5459 16.9902 3.28462 -58.2507 38.5891 -54.9663 -30.8936 TIMING: 1566200 CPU: 5020.38, 0.00312681/step Wall: 5020.38, 0.00312681/step, 2.98246 hours remaining, 231.242188 MB of memory in use. ENERGY: 1566200 3988.9960 20569.2579 14519.2833 248.1074 -203502.7661 2577.7434 0.0000 0.0000 52022.3583 -109577.0197 298.9732 -161599.3780 -109213.7415 298.9172 -192.9582 -161.5300 762337.6429 -3.8520 -3.5316 PRESSURE: 1566400 -312.242 -20.6298 -86.3447 -20.63 116.724 -124.272 -86.3451 -124.271 -250.009 GPRESSURE: 1566400 -262.997 87.2169 58.6226 -145.588 131.071 -144.049 -89.2395 -160.696 -232.893 PRESSAVG: 1566400 8.8347 -46.4841 12.1788 -46.484 -43.5599 -51.9014 12.1789 -51.9013 -24.1308 GPRESSAVG: 1566400 11.2678 -48.2772 11.8992 -46.6813 -44.74 -49.0781 13.8295 -51.1018 -25.4519 TIMING: 1566400 CPU: 5021, 0.00313582/step Wall: 5021, 0.00313582/step, 2.99088 hours remaining, 231.242188 MB of memory in use. ENERGY: 1566400 3914.7154 20423.0058 14452.3196 256.6510 -203300.7221 2335.1958 0.0000 0.0000 52148.0030 -109770.8314 299.6953 -161918.8345 -109401.9449 298.9211 -148.5089 -121.6064 763780.7339 -19.6187 -19.6414 PRESSURE: 1566600 426.91 -277.036 294.841 -277.037 41.3888 -53.8006 294.839 -53.801 -49.4258 GPRESSURE: 1566600 358.411 -278.476 262.487 -290.004 135.892 -30.3597 197.202 -173.312 12.7432 PRESSAVG: 1566600 -72.2646 -55.5209 -3.2267 -55.521 38.0194 -25.155 -3.22668 -25.155 -10.9391 GPRESSAVG: 1566600 -72.0116 -54.1284 -4.12598 -54.0184 37.7465 -25.9224 -4.75543 -25.1574 -11.07 TIMING: 1566600 CPU: 5021.63, 0.00312491/step Wall: 5021.63, 0.00312491/step, 2.9803 hours remaining, 231.242188 MB of memory in use. ENERGY: 1566600 3969.5214 20449.9223 14505.0594 248.3914 -203491.1871 2491.8955 0.0000 0.0000 52168.4901 -109657.9069 299.8130 -161826.3970 -109301.5979 298.8770 139.6242 169.0154 759935.7074 -15.0615 -15.1117 PRESSURE: 1566800 211.191 109.131 16.1724 109.13 295.241 146.762 16.172 146.761 -264.068 GPRESSURE: 1566800 279.566 51.2614 57.6323 17.3154 287.413 172.288 -30.4851 217.523 -223.43 PRESSAVG: 1566800 2.30826 -68.1082 -18.8089 -68.1083 53.74 29.7281 -18.8089 29.728 19.5829 GPRESSAVG: 1566800 0.979316 -69.7151 -19.2647 -69.7007 55.3931 29.5476 -17.6357 30.0825 19.3665 TIMING: 1566800 CPU: 5022.25, 0.0031195/step Wall: 5022.25, 0.0031195/step, 2.97496 hours remaining, 231.242188 MB of memory in use. ENERGY: 1566800 4085.1608 20505.2758 14565.6229 231.6246 -203338.6518 2539.3905 0.0000 0.0000 51910.0251 -109501.5520 298.3276 -161411.5772 -109139.1683 299.0099 80.7880 114.5163 762009.4495 25.2104 25.2463 PRESSURE: 1567000 51.4313 -29.6173 -131.956 -29.6159 168.794 -98.6733 -131.956 -98.6741 332.96 GPRESSURE: 1567000 41.6633 -75.6908 -92.6726 -80.7526 225.682 -99.3031 -208.803 -79.7108 370.542 PRESSAVG: 1567000 51.4137 -14.9541 53.0729 -14.9541 -18.9974 75.9413 53.0729 75.9414 -12.2165 GPRESSAVG: 1567000 52.1523 -13.7632 54.3816 -14.5006 -19.6502 75.398 51.5886 74.9172 -11.7639 TIMING: 1567000 CPU: 5022.88, 0.00312692/step Wall: 5022.88, 0.00312692/step, 2.98186 hours remaining, 231.242188 MB of memory in use. ENERGY: 1567000 3955.7057 20390.8310 14596.1378 224.4352 -203576.3496 2750.2273 0.0000 0.0000 52075.4435 -109583.5692 299.2783 -161659.0126 -109225.6707 299.3693 184.3951 212.6294 760698.0317 6.7333 6.9127 PRESSURE: 1567200 -139.162 20.5384 127.027 20.5384 -374.166 72.1046 127.027 72.1047 -510.935 GPRESSURE: 1567200 -170.399 29.5263 251.604 -14.5942 -226.668 -47.428 78.57 43.4042 -526.128 PRESSAVG: 1567200 -31.6282 -46.9132 54.6938 -46.9133 -28.3396 -48.1383 54.6937 -48.1383 17.4112 GPRESSAVG: 1567200 -31.9271 -46.9786 53.6898 -45.582 -28.1163 -48.6326 54.8563 -46.6854 17.2734 TIMING: 1567200 CPU: 5023.5, 0.00312396/step Wall: 5023.5, 0.00312396/step, 2.97887 hours remaining, 231.242188 MB of memory in use. ENERGY: 1567200 3977.7622 20457.3386 14535.4361 247.0926 -202994.6688 2164.0913 0.0000 0.0000 52021.5348 -109591.4132 298.9685 -161612.9480 -109219.8067 298.8938 -341.4209 -307.7316 760827.0535 -14.1855 -14.2567 PRESSURE: 1567400 106.305 44.6332 0.709567 44.6327 68.0606 -1.35313 0.709895 -1.35266 277.651 GPRESSURE: 1567400 149.718 96.3014 53.7526 86.1753 123.028 -21.0712 -72.2238 -248.527 263.77 PRESSAVG: 1567400 -23.0574 14.5446 34.0546 14.5446 46.7091 -1.16037 34.0547 -1.16039 2.18986 GPRESSAVG: 1567400 -22.2689 14.8641 33.6744 14.7585 48.0298 -2.6504 35.4842 -1.35383 0.3359 TIMING: 1567400 CPU: 5024.13, 0.00312157/step Wall: 5024.13, 0.00312157/step, 2.97641 hours remaining, 231.242188 MB of memory in use. ENERGY: 1567400 4038.1376 20652.0833 14576.2378 243.2680 -203565.2636 2532.1624 0.0000 0.0000 51980.7698 -109542.6047 298.7342 -161523.3745 -109187.2163 299.3907 150.6723 178.8387 760385.4661 8.6138 8.6989 PRESSURE: 1567600 95.9951 -96.558 59.7503 -96.5584 -106.012 -59.0755 59.7501 -59.0755 319.243 GPRESSURE: 1567600 90.5748 -36.2353 51.5685 -94.7399 -61.9228 -127.915 -31.7196 -18.5132 357.496 PRESSAVG: 1567600 -14.2529 -58.6437 -12.8153 -58.6438 62.5024 -29.0439 -12.8153 -29.0438 25.6188 GPRESSAVG: 1567600 -13.1798 -58.4298 -11.7836 -59.5042 60.3093 -27.5873 -14.1222 -29.4223 26.9048 TIMING: 1567600 CPU: 5024.76, 0.00317436/step Wall: 5024.76, 0.00317436/step, 3.02658 hours remaining, 231.242188 MB of memory in use. ENERGY: 1567600 4032.9733 20541.0243 14544.8239 238.1517 -203422.1608 2545.5315 0.0000 0.0000 52186.1502 -109333.5060 299.9145 -161519.6562 -108966.9373 300.0960 103.0755 128.7159 758790.2547 24.6228 24.6781 PRESSURE: 1567800 -18.1407 -148.599 86.7743 -148.598 81.3801 -11.947 86.7751 -11.9474 110.58 GPRESSURE: 1567800 131.608 -156.56 179.329 -81.8067 40.6514 -89.2534 65.076 5.71473 80.494 PRESSAVG: 1567800 -9.29568 -23.5473 8.02748 -23.5474 29.8604 -27.6707 8.02755 -27.6707 -9.62781 GPRESSAVG: 1567800 -10.2329 -24.4286 7.5072 -23.2558 31.0673 -27.3403 5.08651 -28.3462 -9.72312 TIMING: 1567800 CPU: 5025.39, 0.00315596/step Wall: 5025.39, 0.00315596/step, 3.00886 hours remaining, 231.242188 MB of memory in use. ENERGY: 1567800 3924.5387 20433.9369 14560.7289 239.1684 -203613.7674 2611.8222 0.0000 0.0000 52407.0520 -109436.5205 301.1840 -161843.5724 -109068.6120 300.2326 57.9397 84.2512 758714.5986 3.6456 3.7038 PRESSURE: 1568000 -475.43 -66.4891 -106.489 -66.4895 3.78995 -101.063 -106.49 -101.062 -402.056 GPRESSURE: 1568000 -447.168 -15.7929 -97.8316 -17.6262 41.3593 -108.976 7.22082 -218.185 -373.829 PRESSAVG: 1568000 -4.61082 -2.52204 -0.0137991 -2.522 -14.2851 -4.69369 -0.013784 -4.69365 2.8354 GPRESSAVG: 1568000 -4.49342 -2.3343 0.0906559 -3.61112 -14.7556 -4.20056 4.12635 -4.93049 3.05625 TIMING: 1568000 CPU: 5026.02, 0.00314213/step Wall: 5026.02, 0.00314213/step, 2.99549 hours remaining, 231.242188 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: 1568000 4100.6634 20516.2794 14530.5080 271.6269 -203376.1805 2495.5196 0.0000 0.0000 52080.4318 -109381.1514 299.3070 -161461.5832 -109019.3941 300.0877 -291.2321 -259.8792 760030.4572 -5.3535 -5.3976 PRESSURE: 1568200 34.2421 73.0038 -173.927 73.004 37.3555 -82.5104 -173.927 -82.5102 -214.069 GPRESSURE: 1568200 47.2513 150.436 -187.341 184.657 155.972 -46.2344 -85.4845 -163.453 -258.228 PRESSAVG: 1568200 1.65408 -42.182 71.8304 -42.182 -22.7474 -33.6742 71.8304 -33.6742 -0.883116 GPRESSAVG: 1568200 1.67424 -42.478 72.3602 -41.1446 -21.5572 -34.5412 71.5474 -33.684 -2.15048 TIMING: 1568200 CPU: 5026.65, 0.00313812/step Wall: 5026.65, 0.00313812/step, 2.9915 hours remaining, 231.242188 MB of memory in use. ENERGY: 1568200 4031.1399 20614.1784 14508.7335 246.3205 -203739.5876 2747.6087 0.0000 0.0000 52275.4737 -109316.1329 300.4279 -161591.6066 -108952.4590 300.0081 -47.4905 -18.3351 762223.6111 -7.3255 -7.3445 LDB: ============= START OF LOAD BALANCING ============== 5039.07 LDB: ============== END OF LOAD BALANCING =============== 5039.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5039.07 LDB: ============= START OF LOAD BALANCING ============== 5039.39 LDB: Largest compute 7047 load 0.035870 is 18.4% of average load 0.195381 LDB: Average compute 0.004388 is 2.2% of average load 0.195381 LDB: TIME 5039.39 LOAD: AVG 0.195381 MAX 0.211783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.27 MB LDB: TIME 5039.39 LOAD: AVG 0.195381 MAX 0.211783 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: TIME 5039.39 LOAD: AVG 0.195381 MAX 0.211783 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: ============== END OF LOAD BALANCING =============== 5039.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5039.4 PRESSURE: 1568400 -387.193 -48.6201 69.4213 -48.6204 58.4857 51.8854 69.4218 51.8865 -266.783 GPRESSURE: 1568400 -321.115 -54.5328 -1.2241 40.5951 37.8385 119.175 117.801 27.2641 -216.863 PRESSAVG: 1568400 -31.339 -24.8204 37.8485 -24.8204 37.8521 -44.7467 37.8485 -44.7467 36.6636 GPRESSAVG: 1568400 -30.5403 -24.1545 38.5917 -23.4486 36.2668 -43.9299 38.0257 -45.131 37.88 TIMING: 1568400 CPU: 5027.29, 0.00321489/step Wall: 5027.29, 0.00321488/step, 3.0645 hours remaining, 230.800781 MB of memory in use. ENERGY: 1568400 3981.8471 20564.6738 14417.5455 228.9667 -203358.2239 2421.0489 0.0000 0.0000 52377.8139 -109366.3280 301.0160 -161744.1419 -108999.5255 300.3601 -198.4967 -166.7131 761380.1865 14.3922 14.5355 PRESSURE: 1568600 179.474 82.223 216.819 82.2223 228.238 99.4005 216.819 99.3998 -89.6087 GPRESSURE: 1568600 232.427 98.6151 119.076 39.9604 304.715 78.6975 293.028 61.988 -158.596 PRESSAVG: 1568600 8.2062 -25.6522 41.9966 -25.6523 17.796 -7.943 41.9966 -7.94304 27.3802 GPRESSAVG: 1568600 5.84027 -26.2423 41.0795 -29.6301 19.9559 -8.90874 39.1814 -7.56798 27.1127 TIMING: 1568600 CPU: 5027.92, 0.00314663/step Wall: 5027.92, 0.00314663/step, 2.99926 hours remaining, 231.003906 MB of memory in use. ENERGY: 1568600 4084.0177 20592.4822 14500.2291 266.2858 -204020.2191 2868.9367 0.0000 0.0000 52148.5970 -109559.6706 299.6987 -161708.2676 -109197.9418 300.0336 106.0343 126.1820 760165.2138 17.7941 17.6363 PRESSURE: 1568800 376.431 30.8577 9.60545 30.8574 -28.4196 220.269 9.60458 220.27 164.378 GPRESSURE: 1568800 363.702 -53.0034 48.7857 62.4362 3.44247 290.587 -50.2388 41.7384 236.903 PRESSAVG: 1568800 72.1105 -5.65247 43.1271 -5.65247 -74.6056 39.7562 43.1272 39.7562 -17.3966 GPRESSAVG: 1568800 73.7964 -4.71074 42.8928 -3.80603 -76.0067 41.2617 45.0141 40.2 -18.0775 TIMING: 1568800 CPU: 5028.55, 0.0031334/step Wall: 5028.55, 0.0031334/step, 2.98647 hours remaining, 231.003906 MB of memory in use. ENERGY: 1568800 4085.3699 20554.1414 14469.6304 250.8808 -203658.0831 2682.7372 0.0000 0.0000 52072.6735 -109542.6499 299.2624 -161615.3234 -109187.9941 299.5225 170.7965 201.3491 760269.9036 -6.6306 -6.7626 PRESSURE: 1569000 170.736 -113.44 -14.9834 -113.44 -36.0791 -139.404 -14.9836 -139.404 -27.1365 GPRESSURE: 1569000 231.734 -62.0908 -34.6015 -21.3792 11.4081 -200.1 75.4722 -219.115 -41.9166 PRESSAVG: 1569000 11.5419 -13.1542 7.57532 -13.1542 -14.9667 33.9656 7.57532 33.9655 -3.55248 GPRESSAVG: 1569000 11.7903 -12.5767 7.37654 -13.1642 -15.2897 32.5624 6.06206 32.0026 -3.1241 TIMING: 1569000 CPU: 5029.18, 0.00314586/step Wall: 5029.18, 0.00314586/step, 2.99818 hours remaining, 231.003906 MB of memory in use. ENERGY: 1569000 4000.9263 20439.2846 14490.8783 248.1869 -203729.5039 2658.6931 0.0000 0.0000 52110.1348 -109781.3998 299.4777 -161891.5346 -109423.0258 299.2687 35.8401 67.0753 759943.0452 -2.3258 -2.2078 PRESSURE: 1569200 218.544 -178.152 396.019 -178.152 -104.617 -250.877 396.019 -250.877 -243.167 GPRESSURE: 1569200 169.486 -108.672 385.08 -207.392 27.3769 -213.158 206.098 -57.7042 -224.521 PRESSAVG: 1569200 54.774 21.8548 -7.32654 21.8549 -50.1718 -8.82996 -7.32653 -8.83 -1.05805 GPRESSAVG: 1569200 53.9409 19.0187 -7.92994 23.3818 -50.0025 -8.58043 -4.75994 -7.37239 -0.842844 TIMING: 1569200 CPU: 5029.8, 0.00313448/step Wall: 5029.8, 0.00313448/step, 2.98716 hours remaining, 231.003906 MB of memory in use. ENERGY: 1569200 3997.5676 20465.7129 14618.1020 237.2765 -203403.8432 2423.3087 0.0000 0.0000 51939.2850 -109722.5906 298.4958 -161661.8756 -109359.7494 299.3272 -43.0802 -9.2194 759986.5254 1.1814 1.0318 PRESSURE: 1569400 -166.311 -222.385 62.529 -222.385 -30.7232 32.977 62.5284 32.977 214.005 GPRESSURE: 1569400 -163.747 -294.554 8.31417 -216.987 99.8046 3.5069 62.3304 31.5182 176.602 PRESSAVG: 1569400 3.85397 -2.2509 -6.60737 -2.25086 4.37523 17.2753 -6.6073 17.2753 24.0389 GPRESSAVG: 1569400 4.6912 -1.37539 -7.06364 -2.81371 5.2184 16.119 -6.66228 18.7679 22.918 TIMING: 1569400 CPU: 5030.44, 0.00315854/step Wall: 5030.44, 0.00315854/step, 3.00991 hours remaining, 231.003906 MB of memory in use. ENERGY: 1569400 3955.0068 20547.9884 14524.9810 249.5216 -202987.3892 2261.0515 0.0000 0.0000 51999.3745 -109449.4654 298.8411 -161448.8399 -109088.9652 299.5242 5.6568 37.5533 760709.5171 10.7560 10.9425 PRESSURE: 1569600 -176.735 -27.0747 -2.96768 -27.0751 -269.156 254.98 -2.96848 254.981 160.482 GPRESSURE: 1569600 -145.681 -44.0436 4.71012 -89.1735 -221.337 265.066 81.5591 183.753 158.797 PRESSAVG: 1569600 24.0536 -34.13 -5.25848 -34.13 -8.53635 3.49294 -5.25846 3.49297 5.39502 GPRESSAVG: 1569600 24.738 -34.2797 -4.48606 -33.1953 -9.87279 4.29202 -4.65625 0.550951 5.47366 TIMING: 1569600 CPU: 5031.07, 0.00315439/step Wall: 5031.07, 0.00315439/step, 3.00578 hours remaining, 231.003906 MB of memory in use. ENERGY: 1569600 3923.9503 20525.1552 14477.7236 230.4221 -202685.1218 2054.5978 0.0000 0.0000 52038.7237 -109434.5490 299.0673 -161473.2727 -109073.3196 299.2517 -95.1362 -69.4069 763007.0741 6.9707 6.7796 PRESSURE: 1569800 269.272 -246.272 -27.9283 -246.272 75.8336 -247.12 -27.9286 -247.122 37.5975 GPRESSURE: 1569800 312.836 -174.454 -34.0668 -178.063 136.079 -312.06 23.7563 -208.055 31.4405 PRESSAVG: 1569800 9.04364 6.08884 23.1061 6.08884 3.67995 -47.4553 23.1061 -47.4553 19.5026 GPRESSAVG: 1569800 7.84088 6.64612 22.5993 4.27296 3.19215 -45.8114 21.913 -47.3766 21.0401 TIMING: 1569800 CPU: 5031.7, 0.00315156/step Wall: 5031.7, 0.00315156/step, 3.00291 hours remaining, 231.003906 MB of memory in use. ENERGY: 1569800 3935.2516 20473.3176 14444.2202 264.2855 -203271.1054 2798.1427 0.0000 0.0000 51984.0682 -109371.8196 298.7532 -161355.8878 -109008.3365 299.5537 127.5677 160.1183 760301.7584 10.7421 10.6910 PRESSURE: 1570000 -70.9097 -40.6693 170.33 -40.6689 -117.667 3.13326 170.33 3.1334 -475.484 GPRESSURE: 1570000 -29.2754 -92.7811 133.44 -51.3146 -79.3288 -8.08829 112.433 77.3056 -473.609 PRESSAVG: 1570000 63.8782 -48.2108 7.05301 -48.2108 -68.4563 0.11251 7.053 0.112551 -8.66559 GPRESSAVG: 1570000 64.1035 -48.4902 6.38403 -45.3142 -68.0567 -2.46154 7.50397 1.9841 -9.04868 TIMING: 1570000 CPU: 5032.33, 0.00316967/step Wall: 5032.33, 0.00316967/step, 3.01999 hours remaining, 231.003906 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: 1570000 4078.5880 20679.9910 14435.2199 228.9018 -202992.5608 2332.3831 0.0000 0.0000 52001.4087 -109236.0683 298.8528 -161237.4770 -108884.3079 299.8490 -221.3536 -194.0712 760586.0869 -4.4145 -4.3340 PRESSURE: 1570200 125.167 251.866 -43.3038 251.866 293.251 130.456 -43.3043 130.454 36.5487 GPRESSURE: 1570200 179.093 149.16 -10.4894 58.6596 318.27 108.318 26.4209 157.706 42.4968 PRESSAVG: 1570200 -15.6911 -16.6852 -2.15094 -16.6853 3.7176 -31.9574 -2.15089 -31.9574 28.909 GPRESSAVG: 1570200 -15.1752 -17.2404 -1.1124 -18.5945 5.05418 -31.4259 -2.54978 -33.0517 27.8437 TIMING: 1570200 CPU: 5032.96, 0.00315116/step Wall: 5032.96, 0.00315116/step, 3.00218 hours remaining, 231.003906 MB of memory in use. ENERGY: 1570200 4008.7641 20385.5305 14452.4812 251.7544 -203058.5525 2528.4551 0.0000 0.0000 51846.4990 -109585.0682 297.9625 -161431.5672 -109234.0285 298.8432 151.6557 179.9532 760042.3191 5.6452 5.9075 PRESSURE: 1570400 -22.6945 -261.509 -73.6434 -261.51 -333.147 -27.0241 -73.6429 -27.024 -273.385 GPRESSURE: 1570400 -15.4866 -200.37 -34.8675 -336.049 -229.106 -79.4718 8.17132 73.9998 -290.622 PRESSAVG: 1570400 20.4592 -53.8419 -1.87819 -53.8419 15.8675 -60.4699 -1.87814 -60.4698 1.82295 GPRESSAVG: 1570400 20.4003 -54.38 -3.41021 -54.229 15.1235 -60.9773 1.39746 -60.6029 2.4179 TIMING: 1570400 CPU: 5033.59, 0.00316268/step Wall: 5033.59, 0.00316268/step, 3.01298 hours remaining, 231.003906 MB of memory in use. ENERGY: 1570400 3889.9114 20498.8187 14581.2473 270.4360 -202957.2135 2156.2166 0.0000 0.0000 51705.1536 -109855.4299 297.1502 -161560.5835 -109498.0906 298.7272 -209.7420 -178.4048 760173.6292 12.7166 12.6473 PRESSURE: 1570600 -325.229 19.4954 318.08 19.4959 112.889 77.0443 318.08 77.0451 -24.8379 GPRESSURE: 1570600 -323.648 63.0401 288.153 118.65 82.6575 57.8725 308.268 19.9543 93.8911 PRESSAVG: 1570600 -40.7192 11.0259 55.8935 11.026 2.78044 -76.208 55.8935 -76.2079 13.9873 GPRESSAVG: 1570600 -39.7685 12.2011 56.477 10.7877 2.30749 -75.3581 53.3454 -76.7955 13.4953 TIMING: 1570600 CPU: 5034.22, 0.0031479/step Wall: 5034.22, 0.0031479/step, 2.99873 hours remaining, 231.003906 MB of memory in use. ENERGY: 1570600 4002.2369 20433.5686 14512.4174 255.5002 -203192.7985 2279.7783 0.0000 0.0000 51977.8881 -109731.4090 298.7176 -161709.2971 -109373.6868 299.2503 -79.0593 -49.0331 759426.2339 -7.9838 -7.9886 PRESSURE: 1570800 467.373 19.4136 -51.2694 19.4143 31.9705 -212.645 -51.2704 -212.645 391.763 GPRESSURE: 1570800 477.874 34.6397 -66.3539 8.66011 159.003 -198.36 11.4643 -218.221 327.136 PRESSAVG: 1570800 61.4142 -27.6401 30.4845 -27.64 -38.8376 -69.5569 30.4844 -69.5569 2.90325 GPRESSAVG: 1570800 60.5082 -26.8582 32.8671 -25.7878 -37.7145 -67.0485 30.1812 -70.7762 2.84155 TIMING: 1570800 CPU: 5034.86, 0.00316296/step Wall: 5034.86, 0.00316296/step, 3.0129 hours remaining, 231.003906 MB of memory in use. ENERGY: 1570800 3955.9481 20507.1419 14506.6159 262.9466 -203506.9463 2382.8412 0.0000 0.0000 51947.6573 -109943.7953 298.5439 -161891.4525 -109579.8083 298.8547 297.0356 321.3375 758379.8441 8.4933 8.5451 PRESSURE: 1571000 -65.6925 -63.6856 -332.27 -63.6845 -162.563 -133.629 -332.271 -133.63 -237.691 GPRESSURE: 1571000 -27.9344 49.8776 -395.542 -168.97 -129.786 -121.421 -315.398 -164.357 -239.387 PRESSAVG: 1571000 52.3347 3.93042 -18.653 3.93042 -58.3731 8.98355 -18.653 8.98348 8.36844 GPRESSAVG: 1571000 52.9967 3.63386 -21.6293 1.76033 -59.7557 7.41812 -19.3403 11.0906 9.52707 TIMING: 1571000 CPU: 5035.49, 0.0031636/step Wall: 5035.49, 0.0031636/step, 3.01332 hours remaining, 231.003906 MB of memory in use. ENERGY: 1571000 3975.1622 20507.0141 14477.5722 236.7949 -202927.9600 2160.6175 0.0000 0.0000 51855.2476 -109715.5516 298.0128 -161570.7992 -109360.3180 298.8227 -155.3154 -132.3689 759323.5187 0.7767 0.9227 PRESSURE: 1571200 -228.551 -42.8808 -17.8279 -42.8801 285.161 121.517 -17.827 121.517 394.66 GPRESSURE: 1571200 -121.63 -40.0231 -0.673138 67.508 204.49 83.5821 -21.5094 33.763 446.171 PRESSAVG: 1571200 6.27983 -11.9492 28.3023 -11.9492 -28.1649 6.13214 28.3023 6.13226 -12.1354 GPRESSAVG: 1571200 5.47334 -12.8163 29.4001 -10.3725 -26.948 5.76744 28.9836 6.88657 -11.9843 TIMING: 1571200 CPU: 5036.13, 0.00319683/step Wall: 5036.13, 0.00319683/step, 3.0448 hours remaining, 231.003906 MB of memory in use. ENERGY: 1571200 3927.2057 20335.1437 14440.2022 237.0459 -203063.5652 2463.1670 0.0000 0.0000 52099.5973 -109561.2034 299.4171 -161660.8007 -109182.6667 298.5164 150.4235 176.3436 761650.4662 -11.3401 -11.1530 PRESSURE: 1571400 5.72963 -209.953 -2.30309 -209.953 363.074 -208.432 -2.30398 -208.433 168.433 GPRESSURE: 1571400 22.5626 -127.942 -73.4901 -94.1439 453.596 -187.258 182.257 -191.699 156.752 PRESSAVG: 1571400 -36.3551 -52.9889 81.8428 -52.9889 57.8779 -0.821965 81.8428 -0.822034 5.39088 GPRESSAVG: 1571400 -35.5181 -51.9213 82.7383 -53.3892 57.4368 -2.15018 81.265 -2.02259 4.81396 TIMING: 1571400 CPU: 5036.76, 0.00314972/step Wall: 5036.76, 0.00314972/step, 2.99976 hours remaining, 231.003906 MB of memory in use. ENERGY: 1571400 4042.9795 20448.6420 14455.1272 241.2516 -202971.3318 2455.9803 0.0000 0.0000 51724.0285 -109603.3227 297.2587 -161327.3512 -109252.7211 298.6322 179.0787 210.9701 762457.5810 8.9712 8.9109 PRESSURE: 1571600 -264.212 125.251 130.189 125.251 -247.534 -236.38 130.189 -236.382 -69.375 GPRESSURE: 1571600 -237.738 22.606 239.498 -73.2652 -168.868 -251.941 13.8443 -104.873 -94.9517 PRESSAVG: 1571600 22.3558 -52.3721 36.7156 -52.3721 -32.7831 -56.9046 36.7156 -56.9045 14.936 GPRESSAVG: 1571600 22.3145 -54.6717 35.6309 -53.8697 -32.1022 -55.1636 37.8569 -57.4579 14.5434 TIMING: 1571600 CPU: 5037.39, 0.00314014/step Wall: 5037.39, 0.00314014/step, 2.99046 hours remaining, 231.003906 MB of memory in use. ENERGY: 1571600 4115.2104 20441.7872 14467.1818 240.8831 -203531.8670 2488.5166 0.0000 0.0000 52075.6739 -109702.6140 299.2796 -161778.2879 -109339.8231 299.1885 -193.7069 -167.1861 761126.8439 1.5029 1.5852 PRESSURE: 1571800 -145.17 -215.495 112.051 -215.494 -256.698 32.1864 112.051 32.1862 -125.531 GPRESSURE: 1571800 -177.16 -228.145 119.225 -279.697 -207.304 13.3036 202.71 48.2889 -70.3922 PRESSAVG: 1571800 -16.0763 -16.8267 27.9427 -16.8268 12.8571 -1.83679 27.9426 -1.83681 25.3823 GPRESSAVG: 1571800 -17.662 -16.3876 27.5716 -17.3179 13.4854 -1.20812 29.0376 -1.7639 26.2759 TIMING: 1571800 CPU: 5038.01, 0.0031359/step Wall: 5038.01, 0.0031359/step, 2.98625 hours remaining, 231.003906 MB of memory in use. ENERGY: 1571800 3924.3341 20497.6413 14426.6220 241.4934 -203696.2466 2616.8849 0.0000 0.0000 52013.4815 -109975.7894 298.9222 -161989.2709 -109610.0150 298.8095 -175.7996 -151.6186 761650.7791 7.3877 7.3664 PRESSURE: 1572000 315.221 148.774 -175.023 148.774 -158.361 -67.6677 -175.023 -67.668 -1.99686 GPRESSURE: 1572000 427.466 240.796 -219.933 120.587 -172.409 -110.928 -117.534 -70.7054 -7.58253 PRESSAVG: 1572000 -60.6484 -37.9095 61.4989 -37.9095 8.90056 -0.203506 61.4989 -0.203505 -0.588411 GPRESSAVG: 1572000 -57.9737 -38.9076 63.3166 -35.8783 6.77821 -0.969922 60.111 0.553843 -0.917299 TIMING: 1572000 CPU: 5038.64, 0.00312855/step Wall: 5038.64, 0.00312855/step, 2.97907 hours remaining, 231.003906 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: 1572000 4003.3330 20433.5996 14566.3584 232.2186 -204123.6827 2812.1995 0.0000 0.0000 52048.9668 -110027.0068 299.1261 -162075.9735 -109667.9828 298.5918 51.6211 82.4913 760083.6900 -17.4454 -17.3709 PRESSURE: 1572200 415.107 -190.465 -15.8348 -190.464 308.412 318.271 -15.8341 318.27 397.721 GPRESSURE: 1572200 448.635 -149.615 -29.1932 -118.559 367.557 160.923 90.5997 184.091 391.342 PRESSAVG: 1572200 84.1458 -77.3682 22.1445 -77.3682 -71.6949 -66.9118 22.1445 -66.9118 22.488 GPRESSAVG: 1572200 83.62 -78.0283 21.0098 -77.6658 -69.5327 -66.5984 22.6281 -68.1377 21.3146 TIMING: 1572200 CPU: 5039.27, 0.00315254/step Wall: 5039.27, 0.00315254/step, 3.00174 hours remaining, 231.003906 MB of memory in use. ENERGY: 1572200 3938.9956 20528.6736 14530.5122 249.9950 -204005.1039 2931.0398 0.0000 0.0000 51851.2448 -109974.6428 297.9898 -161825.8877 -109621.7749 298.6140 373.7467 402.5112 759893.4318 11.6463 11.8007 LDB: ============= START OF LOAD BALANCING ============== 5051.69 LDB: ============== END OF LOAD BALANCING =============== 5051.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5051.69 LDB: ============= START OF LOAD BALANCING ============== 5052.01 LDB: Largest compute 7047 load 0.033832 is 17.3% of average load 0.195437 LDB: Average compute 0.004394 is 2.2% of average load 0.195437 LDB: TIME 5052.01 LOAD: AVG 0.195437 MAX 0.211513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.594 MB LDB: TIME 5052.01 LOAD: AVG 0.195437 MAX 0.211513 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: TIME 5052.01 LOAD: AVG 0.195437 MAX 0.211513 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: ============== END OF LOAD BALANCING =============== 5052.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5052.02 PRESSURE: 1572400 -11.1841 239.576 335.445 239.577 -53.6174 -202.814 335.445 -202.812 308.259 GPRESSURE: 1572400 -1.10397 265.917 311.199 123.54 14.9684 -132.216 291.404 -126.79 318.377 PRESSAVG: 1572400 13.4498 -29.5597 93.239 -29.5597 10.6335 -24.6871 93.239 -24.687 6.91704 GPRESSAVG: 1572400 13.6478 -27.5635 92.1625 -30.028 10.7635 -25.2265 94.3276 -23.8048 7.22692 TIMING: 1572400 CPU: 5039.91, 0.00322507/step Wall: 5039.91, 0.00322507/step, 3.07062 hours remaining, 232.851562 MB of memory in use. ENERGY: 1572400 4012.0725 20376.3065 14514.7389 251.1354 -203779.9120 2621.5201 0.0000 0.0000 52152.9509 -109851.1877 299.7237 -162004.1386 -109500.6196 299.1152 81.1525 110.7473 761014.4243 10.3334 10.5461 PRESSURE: 1572600 -24.8502 -165.563 -47.6032 -165.564 -130.262 -94.1047 -47.6039 -94.1047 -333.882 GPRESSURE: 1572600 -11.9731 -141.721 -16.5795 -199.646 -104.776 -75.8347 -62.0217 -200.741 -253.683 PRESSAVG: 1572600 32.9791 -21.9725 28.7079 -21.9725 -54.0156 -15.0169 28.7078 -15.0169 -11.9345 GPRESSAVG: 1572600 33.4665 -22.4659 29.2391 -20.853 -54.199 -15.5277 28.4423 -14.0084 -12.2071 TIMING: 1572600 CPU: 5040.54, 0.00313402/step Wall: 5040.54, 0.00313402/step, 2.98376 hours remaining, 233.054688 MB of memory in use. ENERGY: 1572600 3915.4388 20255.0224 14449.7676 232.8235 -203425.3953 2427.8297 0.0000 0.0000 52114.2819 -110030.2314 299.5015 -162144.5134 -109666.5436 298.4768 -162.9980 -123.4775 760339.0291 -10.9903 -10.9799 PRESSURE: 1572800 182.75 -212.004 231.806 -212.004 328.902 -117.615 231.806 -117.614 146.082 GPRESSURE: 1572800 174.369 -155.231 214.989 -191.077 356.885 -31.4129 233.094 -125.597 198.573 PRESSAVG: 1572800 54.3161 -20.3952 40.6377 -20.3951 -57.4515 -20.7203 40.6376 -20.7203 13.6733 GPRESSAVG: 1572800 53.7701 -20.872 41.0964 -22.1749 -57.4387 -19.3329 40.3183 -22.0806 14.2939 TIMING: 1572800 CPU: 5041.17, 0.00314694/step Wall: 5041.17, 0.00314694/step, 2.99589 hours remaining, 233.054688 MB of memory in use. ENERGY: 1572800 3933.7828 20363.0659 14522.7350 242.9530 -204046.9746 2838.7322 0.0000 0.0000 52240.7381 -109904.9675 300.2282 -162145.7056 -109533.7662 298.3355 219.2447 243.2758 759460.0669 3.5126 3.5418 PRESSURE: 1573000 -227.986 37.7094 128.253 37.7096 -97.7025 86.014 128.252 86.0139 -16.038 GPRESSURE: 1573000 -117.665 -44.8654 145.073 23.394 -108.739 -15.0103 66.0128 120.029 -27.701 PRESSAVG: 1573000 19.8185 -12.7644 37.2237 -12.7643 -20.3871 -63.4504 37.2238 -63.4503 10.6579 GPRESSAVG: 1573000 19.5619 -13.0238 37.9934 -11.5688 -19.6166 -63.1252 36.0427 -61.8489 10.6806 TIMING: 1573000 CPU: 5041.8, 0.00312445/step Wall: 5041.8, 0.00312445/step, 2.9743 hours remaining, 233.054688 MB of memory in use. ENERGY: 1573000 3920.7461 20455.1869 14548.1558 254.0732 -203398.4179 2492.0308 0.0000 0.0000 51941.5279 -109786.6972 298.5087 -161728.2251 -109423.6698 299.1402 -113.9089 -84.7018 760335.9637 3.3631 3.5420 PRESSURE: 1573200 -70.4166 -17.2935 96.6215 -17.2931 -458.377 148.592 96.6222 148.591 -368.777 GPRESSURE: 1573200 -96.8223 74.735 27.8915 -95.4223 -355.006 116.644 224.844 155.46 -364.794 PRESSAVG: 1573200 6.73263 -59.7687 89.6359 -59.7686 9.045 2.70784 89.6359 2.70794 -0.487087 GPRESSAVG: 1573200 8.09341 -60.6645 87.8921 -59.9114 7.9889 2.55183 91.6963 0.0668639 -0.68283 TIMING: 1573200 CPU: 5042.42, 0.00312993/step Wall: 5042.42, 0.00312993/step, 2.97934 hours remaining, 233.054688 MB of memory in use. ENERGY: 1573200 3975.1710 20278.5966 14466.4781 252.9119 -202991.8738 2220.2070 0.0000 0.0000 51961.5457 -109836.9635 298.6237 -161798.5092 -109471.4452 299.1331 -299.1904 -272.2074 761394.6944 5.0968 5.1332 PRESSURE: 1573400 -27.0097 153.493 26.5356 153.492 117.005 -78.5899 26.5354 -78.5905 -160.538 GPRESSURE: 1573400 71.2904 100.687 35.1488 -19.5025 -5.77438 -61.4252 -60.5544 -34.7076 -30.4462 PRESSAVG: 1573400 -29.9179 -3.15765 -10.6065 -3.15763 29.9778 -17.9099 -10.6065 -17.9099 -22.1286 GPRESSAVG: 1573400 -31.8402 -2.28615 -11.4327 -4.19263 30.5665 -19.3442 -10.3696 -17.0498 -20.8847 TIMING: 1573400 CPU: 5043.05, 0.00316114/step Wall: 5043.05, 0.00316114/step, 3.00888 hours remaining, 233.054688 MB of memory in use. ENERGY: 1573400 3930.5798 20336.0223 14552.8991 258.6856 -203597.7141 2520.6728 0.0000 0.0000 52069.9963 -109928.8582 299.2470 -161998.8545 -109570.0136 298.8595 -23.5145 11.6899 759814.8269 -7.3562 -7.3861 PRESSURE: 1573600 -107.744 -60.5505 -131.511 -60.5508 -341.766 -87.9385 -131.511 -87.9392 -143.255 GPRESSURE: 1573600 -196.021 -28.0955 -114.485 6.65351 -202.014 -142.844 -169.999 -110.061 -90.6821 PRESSAVG: 1573600 21.3861 9.18909 -19.2855 9.1891 19.0714 -14.5701 -19.2855 -14.57 18.0028 GPRESSAVG: 1573600 22.294 9.58335 -16.8255 9.40498 18.52 -13.0618 -19.6211 -11.6111 17.4651 TIMING: 1573600 CPU: 5043.68, 0.00314922/step Wall: 5043.68, 0.00314922/step, 2.99736 hours remaining, 233.054688 MB of memory in use. ENERGY: 1573600 3995.1938 20656.3568 14429.6884 254.4431 -203544.4524 2360.3871 0.0000 0.0000 51947.6679 -109900.7153 298.5440 -161848.3832 -109550.3641 298.4056 -197.5885 -162.9058 760367.2530 19.4868 19.4264 PRESSURE: 1573800 -3.74217 65.7389 -577.51 65.738 205.988 -164.931 -577.51 -164.931 37.6203 GPRESSURE: 1573800 7.7654 28.4334 -512.235 3.73322 318.122 -121.751 -577.086 -94.8221 -16.4205 PRESSAVG: 1573800 38.7232 -18.8344 -22.8135 -18.8345 11.4752 -26.4158 -22.8135 -26.4159 9.7856 GPRESSAVG: 1573800 37.9113 -18.3395 -23.5808 -18.5931 12.3532 -26.1314 -23.4295 -28.5297 9.32237 TIMING: 1573800 CPU: 5044.31, 0.00314149/step Wall: 5044.31, 0.00314149/step, 2.98983 hours remaining, 233.054688 MB of memory in use. ENERGY: 1573800 4002.1902 20427.0866 14462.7866 254.7740 -203578.4653 2418.3060 0.0000 0.0000 52103.3074 -109910.0145 299.4384 -162013.3218 -109546.4366 299.1016 79.9553 103.1555 760419.9566 19.9947 19.8623 PRESSURE: 1574000 -104.698 -76.2395 50.5419 -76.2389 -200.284 106.774 50.5413 106.774 -22.1778 GPRESSURE: 1574000 -24.043 -38.0633 -5.8743 -33.8472 -191.19 133.638 -2.25208 221.898 -35.335 PRESSAVG: 1574000 16.9125 -63.0092 14.9205 -63.0092 20.9921 -33.0028 14.9205 -33.0028 2.53341 GPRESSAVG: 1574000 17.9674 -64.1286 13.2353 -63.8115 19.3718 -33.9571 15.6563 -32.1551 2.29415 TIMING: 1574000 CPU: 5044.95, 0.00316786/step Wall: 5044.95, 0.00316786/step, 3.01474 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1574000 3914.8650 20584.5898 14442.7064 237.9494 -203375.2251 2466.7925 0.0000 0.0000 52004.5067 -109723.8152 298.8706 -161728.3219 -109364.4623 298.7000 -109.0531 -83.5228 760981.5819 13.4793 13.2111 PRESSURE: 1574200 -256.671 -1.64672 -70.1208 -1.64661 -265.681 -208.249 -70.1211 -208.25 -360.901 GPRESSURE: 1574200 -190.361 -1.04936 -18.7903 -51.2004 -262.008 -235.953 -61.9233 -191.489 -337.136 PRESSAVG: 1574200 54.7577 -67.0524 -45.9931 -67.0524 -12.9281 15.2918 -45.993 15.2918 9.45458 GPRESSAVG: 1574200 53.5725 -67.0963 -45.3444 -65.4783 -11.9455 17.2675 -45.2334 13.7784 9.89311 TIMING: 1574200 CPU: 5045.57, 0.00313494/step Wall: 5045.57, 0.00313494/step, 2.98324 hours remaining, 233.054688 MB of memory in use. ENERGY: 1574200 3965.7775 20511.8611 14416.3357 267.1755 -203210.5502 2373.7237 0.0000 0.0000 51815.0426 -109860.6343 297.7818 -161675.6768 -109495.8443 298.9249 -294.4175 -263.1682 759717.4169 17.0947 17.1734 PRESSURE: 1574400 120.698 -205.642 -273.141 -205.642 39.2724 22.7171 -273.141 22.7171 148.784 GPRESSURE: 1574400 235.912 -227.99 -243.493 -242.769 -52.787 121.455 -158.804 18.9148 198.077 PRESSAVG: 1574400 44.5993 -70.9951 -8.43376 -70.995 -44.8017 -5.49529 -8.43373 -5.49522 -9.93321 GPRESSAVG: 1574400 46.1182 -69.7863 -6.17773 -73.3286 -44.3749 -5.72281 -11.3909 -7.07885 -11.0694 TIMING: 1574400 CPU: 5046.2, 0.0031452/step Wall: 5046.2, 0.0031452/step, 2.99283 hours remaining, 233.054688 MB of memory in use. ENERGY: 1574400 3987.5259 20437.6513 14484.4129 233.5841 -203337.2161 2644.8682 0.0000 0.0000 51775.6381 -109773.5357 297.5553 -161549.1738 -109409.6368 298.2473 102.9183 127.0675 761119.6280 -3.3785 -3.1087 PRESSURE: 1574600 -313.131 74.87 -99.8063 74.8701 -445.867 67.9401 -99.8061 67.9404 -734.256 GPRESSURE: 1574600 -281.39 109.147 -158.936 115.054 -446.812 187.034 41.302 -101.679 -681.77 PRESSAVG: 1574600 69.4689 -23.4483 11.2191 -23.4484 -90.4756 -45.8926 11.219 -45.8926 15.1291 GPRESSAVG: 1574600 68.5625 -22.8794 9.28827 -22.6363 -90.986 -46.7047 12.8934 -43.4958 16.3074 TIMING: 1574600 CPU: 5046.84, 0.00317637/step Wall: 5046.84, 0.00317637/step, 3.02232 hours remaining, 233.054688 MB of memory in use. ENERGY: 1574600 4076.0384 20647.6235 14404.5444 242.8292 -203090.0315 2290.4244 0.0000 0.0000 51607.4212 -109821.1503 296.5886 -161428.5716 -109471.1056 298.7014 -497.7514 -469.9909 763295.6089 -1.9592 -2.0387 PRESSURE: 1574800 -323.036 -225.681 16.2475 -225.681 -134.075 -277.982 16.2468 -277.982 131.107 GPRESSURE: 1574800 -202.551 -215.577 -18.9176 -52.9348 -125.001 -267.258 35.9343 -140.933 102.298 PRESSAVG: 1574800 45.4662 -10.7016 25.2 -10.7015 -5.06676 6.23224 25.2 6.23224 -6.98624 GPRESSAVG: 1574800 46.0226 -14.0313 25.6782 -9.32063 -5.51887 4.61815 25.385 7.03702 -7.45868 TIMING: 1574800 CPU: 5047.47, 0.00316702/step Wall: 5047.47, 0.00316702/step, 3.01324 hours remaining, 233.054688 MB of memory in use. ENERGY: 1574800 3958.1444 20453.4549 14410.3444 239.7507 -203387.3718 2494.0867 0.0000 0.0000 51947.3164 -109884.2743 298.5419 -161831.5907 -109508.9231 298.4942 -108.6679 -75.0848 761311.9849 11.1377 11.0150 PRESSURE: 1575000 -353.717 127.669 -106.334 127.668 7.10725 -2.92009 -106.334 -2.91944 -185.04 GPRESSURE: 1575000 -231.989 185.084 -146.491 21.0949 29.6117 27.7816 -137.874 33.5225 -253.15 PRESSAVG: 1575000 -4.53703 -32.9024 -59.8989 -32.9024 14.8878 -75.3516 -59.8989 -75.3516 26.6464 GPRESSAVG: 1575000 -4.69793 -29.8855 -60.6705 -33.619 14.719 -74.3498 -59.3629 -75.8937 26.798 TIMING: 1575000 CPU: 5048.1, 0.00316602/step Wall: 5048.1, 0.00316602/step, 3.01212 hours remaining, 233.054688 MB of memory in use. ENERGY: 1575000 4048.5057 20430.1879 14566.6493 251.5259 -203358.3348 2404.7591 0.0000 0.0000 51942.6636 -109714.0433 298.5152 -161656.7069 -109361.7791 298.5633 -177.2166 -151.8422 760929.8379 12.3324 12.2730 PRESSURE: 1575200 336.292 -54.0284 -35.57 -54.0285 63.5508 -100.075 -35.5697 -100.074 -10.51 GPRESSURE: 1575200 419.152 62.6348 22.5003 -128.141 25.914 -103.767 -203.245 -49.3042 26.3274 PRESSAVG: 1575200 -3.40465 -51.0591 -15.92 -51.059 -13.8093 -15.2903 -15.92 -15.2904 21.5645 GPRESSAVG: 1575200 -3.77221 -52.6488 -15.452 -49.8829 -13.3731 -14.9255 -17.0474 -16.375 21.4438 TIMING: 1575200 CPU: 5048.74, 0.00316792/step Wall: 5048.74, 0.00316792/step, 3.01374 hours remaining, 233.054688 MB of memory in use. ENERGY: 1575200 3931.5513 20668.6014 14495.0569 220.8445 -203394.6690 2397.8993 0.0000 0.0000 51813.8940 -109866.8217 297.7752 -161680.7156 -109513.7762 298.1854 129.7776 157.1313 758982.7135 1.4502 1.4328 PRESSURE: 1575400 -256.7 24.6116 -0.342116 24.612 -427.172 -283.353 -0.342001 -283.353 -708.117 GPRESSURE: 1575400 -268.423 -73.8279 20.7128 -84.039 -321.258 -261.742 -113.907 -320.414 -722.558 PRESSAVG: 1575400 43.4142 8.04692 -36.9074 8.04698 -15.2229 -28.4276 -36.9074 -28.4276 12.086 GPRESSAVG: 1575400 42.4721 8.96004 -37.1262 7.26595 -15.3864 -29.015 -36.1194 -26.6408 12.8539 TIMING: 1575400 CPU: 5049.37, 0.00315844/step Wall: 5049.37, 0.00315844/step, 3.00455 hours remaining, 233.054688 MB of memory in use. ENERGY: 1575400 4065.3759 20407.3258 14515.6539 260.6018 -203541.9753 2495.7695 0.0000 0.0000 51989.9993 -109807.2492 298.7872 -161797.2484 -109441.8018 298.5742 -463.9965 -437.4131 760798.2778 13.4258 13.3132 PRESSURE: 1575600 112.873 23.503 -5.27944 23.5027 10.9756 213.889 -5.27938 213.889 -266.034 GPRESSURE: 1575600 151.553 -17.4101 10.5138 61.5741 28.3446 243.736 -129.383 218.081 -251.815 PRESSAVG: 1575600 -11.0931 -2.2034 -18.2895 -2.20343 26.083 -19.4441 -18.2894 -19.4441 -18.2744 GPRESSAVG: 1575600 -10.9509 -3.48195 -17.8152 -2.69105 27.0312 -19.5765 -17.9594 -21.4787 -19.856 TIMING: 1575600 CPU: 5050, 0.00314253/step Wall: 5050, 0.00314253/step, 2.98924 hours remaining, 233.054688 MB of memory in use. ENERGY: 1575600 4004.4113 20486.3029 14552.5319 248.8860 -203834.1152 2637.5725 0.0000 0.0000 52048.8096 -109855.6011 299.1252 -161904.4107 -109487.1989 299.2796 -47.3951 -23.9723 760048.9216 -1.0949 -1.2585 PRESSURE: 1575800 -176.074 -15.258 -141.257 -15.2574 -349.993 160.538 -141.257 160.538 -376.327 GPRESSURE: 1575800 -148.157 -18.2465 -81.3669 -49.0361 -312.131 109.191 -209.556 108.58 -345.552 PRESSAVG: 1575800 39.4626 -20.7582 7.29183 -20.7582 31.3102 35.5245 7.29187 35.5245 9.48408 GPRESSAVG: 1575800 38.9101 -20.2697 5.84564 -20.2019 31.0027 36.0995 8.02989 37.6011 10.2298 TIMING: 1575800 CPU: 5050.64, 0.00320088/step Wall: 5050.64, 0.00320088/step, 3.04457 hours remaining, 233.054688 MB of memory in use. ENERGY: 1575800 4092.9377 20659.8328 14485.8840 240.1620 -203713.8322 2467.9053 0.0000 0.0000 52295.5241 -109471.5862 300.5431 -161767.1103 -109112.2803 299.6863 -300.7981 -268.6135 760176.4672 26.7523 26.7142 PRESSURE: 1576000 -355.879 327.519 111.882 327.52 -88.8975 -180.613 111.882 -180.613 79.3689 GPRESSURE: 1576000 -343.596 266.579 186.75 172.719 -2.59114 -224.867 0.107658 -213.05 86.4225 PRESSAVG: 1576000 -43.0301 35.1213 18.1066 35.1213 81.0466 -25.6822 18.1067 -25.6822 3.29678 GPRESSAVG: 1576000 -42.2081 34.6638 20.3704 35.5653 79.535 -24.349 15.8988 -28.7653 3.80421 TIMING: 1576000 CPU: 5051.27, 0.00318124/step Wall: 5051.27, 0.00318124/step, 3.02571 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1576000 4062.5401 20561.3807 14497.3699 240.7555 -203280.7172 2384.6541 0.0000 0.0000 52271.1107 -109262.9063 300.4028 -161534.0170 -108897.4879 299.8815 -121.8024 -86.5882 761396.1336 13.7711 13.7104 PRESSURE: 1576200 82.9724 -154.511 60.6944 -154.51 -263.496 -316.772 60.6936 -316.772 127.702 GPRESSURE: 1576200 68.784 -268.046 109.433 -101.748 -146.002 -362.212 -8.55714 -241.842 113.906 PRESSAVG: 1576200 -28.5228 15.1323 -34.3052 15.1323 -11.4081 -35.679 -34.3053 -35.6789 9.81632 GPRESSAVG: 1576200 -29.4764 16.0562 -35.2321 14.4503 -10.4852 -36.6326 -33.4423 -33.8232 10.013 TIMING: 1576200 CPU: 5051.91, 0.0031759/step Wall: 5051.91, 0.0031759/step, 3.02046 hours remaining, 233.054688 MB of memory in use. ENERGY: 1576200 3918.0726 20620.3260 14516.1185 267.1056 -203134.7995 2281.5322 0.0000 0.0000 52055.3275 -109476.3171 299.1627 -161531.6446 -109114.4883 299.4512 -17.6072 12.2294 761072.2100 -10.0382 -9.9829 LDB: ============= START OF LOAD BALANCING ============== 5064.33 LDB: ============== END OF LOAD BALANCING =============== 5064.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5064.33 LDB: ============= START OF LOAD BALANCING ============== 5064.65 LDB: Largest compute 7034 load 0.034526 is 17.7% of average load 0.195434 LDB: Average compute 0.004406 is 2.3% of average load 0.195434 LDB: TIME 5064.66 LOAD: AVG 0.195434 MAX 0.213624 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.91 MB LDB: TIME 5064.66 LOAD: AVG 0.195434 MAX 0.213624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: TIME 5064.66 LOAD: AVG 0.195434 MAX 0.213624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: ============== END OF LOAD BALANCING =============== 5064.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5064.67 PRESSURE: 1576400 -205.886 -161.077 -11.623 -161.077 -277.062 -143.536 -11.6233 -143.536 4.89754 GPRESSURE: 1576400 -141.38 -102.354 -12.4811 -153.466 -223.668 -86.5868 -35.0531 -36.4857 -24.7328 PRESSAVG: 1576400 4.67783 -3.83476 -34.8861 -3.83486 -32.0402 -37.0869 -34.8861 -37.0869 6.39057 GPRESSAVG: 1576400 4.46955 -2.74729 -35.4532 -2.63668 -31.663 -36.57 -34.0214 -37.4025 6.47766 TIMING: 1576400 CPU: 5052.56, 0.00325171/step Wall: 5052.56, 0.00325172/step, 3.09238 hours remaining, 231.312500 MB of memory in use. ENERGY: 1576400 4072.9962 20584.9036 14534.6726 234.8768 -203078.6091 2248.3761 0.0000 0.0000 51965.3394 -109437.4445 298.6455 -161402.7839 -109073.6850 299.4205 -159.3502 -129.9270 761780.1179 -6.9906 -6.9053 PRESSURE: 1576600 -324.723 -61.448 -32.5011 -61.4477 -228.882 93.912 -32.5011 93.912 -397.657 GPRESSURE: 1576600 -304.083 -83.1575 -56.3398 -29.8875 -203.364 129.946 23.4332 59.5834 -355.173 PRESSAVG: 1576600 -6.7783 -48.0023 -39.7242 -48.0023 -22.1896 40.2956 -39.7242 40.2956 -45.6077 GPRESSAVG: 1576600 -6.26929 -50.0022 -40.5955 -49.5667 -22.1627 39.1073 -39.8053 40.9585 -46.3862 TIMING: 1576600 CPU: 5053.19, 0.0031669/step Wall: 5053.19, 0.0031669/step, 3.01154 hours remaining, 231.312500 MB of memory in use. ENERGY: 1576600 3935.0707 20544.7290 14570.7599 240.2376 -203354.7555 2372.8986 0.0000 0.0000 52122.1818 -109568.8779 299.5469 -161691.0598 -109201.5956 299.3758 -317.0872 -287.5397 760436.6753 -24.8586 -24.9394 PRESSURE: 1576800 -33.4593 -17.6568 243.856 -17.6578 233.38 -68.7136 243.856 -68.7141 234.249 GPRESSURE: 1576800 71.9214 -61.2539 241.383 -1.50798 249.447 -93.8767 109.2 -0.0838382 200.207 PRESSAVG: 1576800 24.8056 -14.0998 -41.6138 -14.0998 -5.43909 -10.0629 -41.6138 -10.0629 -2.71805 GPRESSAVG: 1576800 24.8926 -12.3451 -38.4343 -14.1774 -5.71159 -9.25936 -41.9632 -8.10568 -2.41523 TIMING: 1576800 CPU: 5053.83, 0.00318238/step Wall: 5053.83, 0.00318238/step, 3.02609 hours remaining, 231.312500 MB of memory in use. ENERGY: 1576800 4006.3417 20470.5050 14440.7118 247.3094 -203217.8002 2361.3319 0.0000 0.0000 51891.6864 -109799.9141 298.2222 -161691.6005 -109425.6490 298.9093 144.7233 173.8585 762579.1387 5.5495 5.5886 PRESSURE: 1577000 364.128 -26.5701 -155.365 -26.57 -166.495 147.639 -155.365 147.639 -92.0766 GPRESSURE: 1577000 334.927 -50.8008 -141.466 -47.4366 -77.8119 168.387 -82.1968 18.365 -89.479 PRESSAVG: 1577000 52.8272 -38.7579 -59.5747 -38.7579 -33.8576 34.0059 -59.5747 34.0059 -5.73831 GPRESSAVG: 1577000 52.8248 -41.3327 -62.5617 -38.7383 -32.8562 33.4803 -58.6222 31.7174 -6.66325 TIMING: 1577000 CPU: 5054.47, 0.00318044/step Wall: 5054.47, 0.00318044/step, 3.02406 hours remaining, 231.312500 MB of memory in use. ENERGY: 1577000 3936.8754 20405.1058 14448.0219 235.9297 -203462.2401 2657.9384 0.0000 0.0000 51991.5230 -109786.8458 298.7960 -161778.3689 -109413.4837 298.6985 35.1855 55.8786 762063.1238 4.4104 4.4351 PRESSURE: 1577200 -73.0188 -49.0299 -211.1 -49.0296 -285.279 38.9472 -211.1 38.9474 9.11059 GPRESSURE: 1577200 5.32921 63.6919 -189.462 -94.6736 -313.706 43.9769 -214.36 144.521 45.3046 PRESSAVG: 1577200 18.4105 6.97333 5.5615 6.97334 9.56974 50.0569 5.56152 50.0569 -24.2743 GPRESSAVG: 1577200 17.451 10.2159 7.5884 5.53038 10.0851 50.6837 5.15519 49.4152 -23.7039 TIMING: 1577200 CPU: 5055.1, 0.00318157/step Wall: 5055.1, 0.00318157/step, 3.02496 hours remaining, 231.312500 MB of memory in use. ENERGY: 1577200 3964.8399 20643.8284 14478.6217 239.8938 -203075.7182 2065.8419 0.0000 0.0000 51530.8234 -110151.8691 296.1484 -161682.6925 -109794.2497 298.7372 -116.3958 -87.6906 761255.7979 1.2353 1.2774 PRESSURE: 1577400 -38.7148 -140.226 57.8993 -140.227 124.384 159.922 57.8984 159.92 127.024 GPRESSURE: 1577400 22.0027 -176.133 124.961 -185.02 141.347 212.689 -6.11015 97.8991 151.894 PRESSAVG: 1577400 20.1746 -1.66987 -23.8253 -1.66982 24.0789 -21.5089 -23.8253 -21.5089 2.18591 GPRESSAVG: 1577400 21.6642 -2.2369 -25.0405 -0.485279 22.1034 -22.3598 -23.8002 -20.109 2.45082 TIMING: 1577400 CPU: 5055.74, 0.00318434/step Wall: 5055.74, 0.00318434/step, 3.02742 hours remaining, 231.312500 MB of memory in use. ENERGY: 1577400 4016.8570 20627.2272 14471.5852 255.4919 -203698.3752 2627.7037 0.0000 0.0000 51818.3512 -109881.1591 297.8008 -161699.5102 -109536.3645 298.4410 70.8976 105.0811 760818.5736 15.4798 15.4061 PRESSURE: 1577600 -198.997 -202.461 -83.1636 -202.461 222.049 148.967 -83.1634 148.967 247.22 GPRESSURE: 1577600 -64.8824 -268.438 -87.7356 -101.829 132.74 151.452 -39.3277 186.489 294.832 PRESSAVG: 1577600 -32.2889 -0.298574 40.3858 -0.298648 41.5062 21.8034 40.3858 21.8034 -4.82676 GPRESSAVG: 1577600 -32.4692 -1.73428 42.5327 0.0851071 41.7213 20.9269 39.7615 20.9538 -4.84806 TIMING: 1577600 CPU: 5056.38, 0.0031905/step Wall: 5056.38, 0.0031905/step, 3.0331 hours remaining, 231.312500 MB of memory in use. ENERGY: 1577600 3980.9089 20609.6860 14493.1920 237.4859 -203395.3506 2423.2512 0.0000 0.0000 51864.6479 -109786.1786 298.0668 -161650.8265 -109427.4892 298.4418 90.0907 120.8966 761102.9785 1.4635 1.4680 PRESSURE: 1577800 276.537 -56.3779 -74.9408 -56.3779 -263.152 54.5383 -74.9415 54.5384 115.854 GPRESSURE: 1577800 284.63 -53.7033 -140.254 -49.318 -121.407 7.72095 -76.1532 160.284 66.5118 PRESSAVG: 1577800 -31.7262 29.3355 28.7897 29.3355 35.4318 36.6263 28.7898 36.6263 -26.6931 GPRESSAVG: 1577800 -31.6065 30.1892 26.7273 29.3986 36.4368 37.4378 29.1956 34.3803 -28.3371 TIMING: 1577800 CPU: 5057.01, 0.00315728/step Wall: 5057.01, 0.00315728/step, 3.00134 hours remaining, 231.312500 MB of memory in use. ENERGY: 1577800 3890.1859 20374.8179 14506.6343 231.0338 -203718.4203 2513.9530 0.0000 0.0000 52388.0534 -109813.7418 301.0749 -162201.7953 -109446.4338 299.0303 43.0795 76.5784 759742.5154 -7.6625 -7.8356 PRESSURE: 1578000 130.269 83.0887 101.742 83.0889 243.175 3.64704 101.742 3.64756 50.6153 GPRESSURE: 1578000 193.236 -41.299 89.2966 53.1613 230.417 24.2045 40.3813 -76.86 111.519 PRESSAVG: 1578000 -42.8485 2.33531 31.5034 2.33538 29.486 49.3337 31.5034 49.3338 -2.40529 GPRESSAVG: 1578000 -44.2657 2.18372 32.8439 3.34597 29.7601 48.5574 30.672 51.5283 -1.08167 TIMING: 1578000 CPU: 5057.64, 0.00314362/step Wall: 5057.64, 0.00314362/step, 2.98818 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1578000 3960.4831 20555.3691 14528.6395 237.0518 -203446.7463 2448.8089 0.0000 0.0000 52046.9674 -109669.4266 299.1146 -161716.3939 -109313.2086 299.6688 141.3530 178.3904 759988.6015 -5.2560 -5.1957 PRESSURE: 1578200 65.7711 -133.677 -70.5937 -133.677 235.986 125.863 -70.5924 125.863 30.6657 GPRESSURE: 1578200 165.797 8.89114 -67.5306 -182.688 131.668 161.136 -192.929 167.969 102.17 PRESSAVG: 1578200 -27.7608 -26.7122 -8.17851 -26.7122 23.9005 -2.39014 -8.17856 -2.39014 -8.03565 GPRESSAVG: 1578200 -25.7354 -25.5872 -9.71654 -27.3721 22.4379 -0.350709 -7.14966 -2.02778 -8.57511 TIMING: 1578200 CPU: 5058.27, 0.00315024/step Wall: 5058.27, 0.00315024/step, 2.9943 hours remaining, 231.312500 MB of memory in use. ENERGY: 1578200 3955.3297 20578.2831 14486.7330 255.0052 -203785.2628 2833.3076 0.0000 0.0000 51897.8016 -109778.8027 298.2574 -161676.6043 -109418.8260 299.1368 110.8076 133.2118 760012.1621 -3.9653 -3.9575 PRESSURE: 1578400 332.867 68.5231 268.077 68.5229 75.1717 -70.319 268.077 -70.3192 -345.841 GPRESSURE: 1578400 345.997 152.915 236.949 162.052 180.663 -165.03 165.581 -139.189 -373.384 PRESSAVG: 1578400 20.4185 -32.7089 43.4019 -32.7089 -22.2606 43.0565 43.402 43.0565 15.3584 GPRESSAVG: 1578400 18.3978 -32.7986 42.5714 -32.5708 -20.9282 41.9019 45.4476 42.9617 16.4493 TIMING: 1578400 CPU: 5058.9, 0.00315584/step Wall: 5058.9, 0.00315584/step, 2.99945 hours remaining, 231.312500 MB of memory in use. ENERGY: 1578400 4049.5341 20615.0871 14484.2127 252.5300 -204000.9796 2855.7594 0.0000 0.0000 52048.5055 -109695.3507 299.1235 -161743.8562 -109339.4646 299.2124 20.7326 51.0920 760732.7655 4.5055 4.6396 PRESSURE: 1578600 -332.375 26.9466 -189.185 26.9458 -21.6028 -165.888 -189.184 -165.888 -238.371 GPRESSURE: 1578600 -284.392 28.7244 -93.0855 -31.6272 72.191 -199.362 -112.99 -153.562 -275.564 PRESSAVG: 1578600 14.3288 -58.7898 28.0506 -58.7898 4.84847 13.1861 28.0506 13.1861 7.02529 GPRESSAVG: 1578600 15.469 -59.1468 29.1579 -59.6702 4.8473 13.2555 26.0033 13.2904 5.87459 TIMING: 1578600 CPU: 5059.53, 0.00314192/step Wall: 5059.53, 0.00314192/step, 2.98604 hours remaining, 231.312500 MB of memory in use. ENERGY: 1578600 4059.3551 20715.1346 14472.3682 226.1210 -203053.6562 2188.0884 0.0000 0.0000 52071.7828 -109320.8061 299.2573 -161392.5889 -108959.2445 299.5555 -197.4493 -162.5885 760891.6535 8.7342 8.7303 PRESSURE: 1578800 -118.439 -207.029 -93.5618 -207.028 -224.686 -158.956 -93.5632 -158.957 -156.495 GPRESSURE: 1578800 3.23507 -169.605 15.6682 -138.439 -254.214 -141.787 -166.321 -77.6411 -151.583 PRESSAVG: 1578800 -17.4895 -57.7261 19.6212 -57.726 -3.33199 -5.92142 19.6212 -5.92155 25.4632 GPRESSAVG: 1578800 -16.0607 -59.7856 18.8273 -57.9536 -4.58384 -5.31167 19.6673 -6.89594 25.8328 TIMING: 1578800 CPU: 5060.16, 0.00315105/step Wall: 5060.16, 0.00315105/step, 2.99455 hours remaining, 231.312500 MB of memory in use. ENERGY: 1578800 4043.0891 20688.8195 14492.7355 245.8304 -203365.3119 2413.2696 0.0000 0.0000 52028.7360 -109452.8317 299.0099 -161481.5678 -109091.2540 300.0638 -166.5399 -134.1875 761011.9713 1.5473 1.7294 PRESSURE: 1579000 249.713 -218.911 -166.106 -218.911 -83.3296 86.447 -166.105 86.4478 493.812 GPRESSURE: 1579000 230.188 -168.644 -213.085 -257.893 -3.9954 63.5277 -32.6099 106.445 512.556 PRESSAVG: 1579000 -24.1714 -70.5112 -36.0777 -70.5111 54.4646 -18.6267 -36.0776 -18.6267 -7.98332 GPRESSAVG: 1579000 -26.2301 -69.1825 -33.4584 -70.889 55.6362 -19.0408 -36.1674 -18.5051 -6.86701 TIMING: 1579000 CPU: 5060.79, 0.00314162/step Wall: 5060.79, 0.00314162/step, 2.98541 hours remaining, 231.312500 MB of memory in use. ENERGY: 1579000 3909.6313 20569.1752 14555.3589 252.5905 -203489.7253 2500.8511 0.0000 0.0000 52259.7376 -109442.3807 300.3374 -161702.1183 -109074.1097 300.1802 220.0650 246.2495 760279.0968 7.4366 7.5130 PRESSURE: 1579200 -196.827 -42.2609 268.002 -42.2613 4.22595 -25.5375 268.001 -25.5372 228.018 GPRESSURE: 1579200 -91.0516 -40.8503 212.07 -71.8284 15.5893 -50.4423 289.028 -140.063 198.668 PRESSAVG: 1579200 21.8075 -90.8038 11.3003 -90.8039 -22.0454 3.54088 11.3002 3.54094 20.4226 GPRESSAVG: 1579200 22.0827 -93.857 8.47202 -89.4492 -23.3987 2.17958 11.4732 4.29917 20.8752 TIMING: 1579200 CPU: 5061.41, 0.00313432/step Wall: 5061.41, 0.00313432/step, 2.9783 hours remaining, 231.312500 MB of memory in use. ENERGY: 1579200 3982.3688 20401.1934 14483.4439 248.3885 -203613.3248 2706.5641 0.0000 0.0000 52073.3290 -109718.0371 299.2661 -161791.3662 -109349.9222 299.3748 11.8059 41.0687 761111.6023 6.7282 6.5197 PRESSURE: 1579400 -261.155 96.0464 109.197 96.046 -11.471 -120.148 109.198 -120.15 677.625 GPRESSURE: 1579400 -101.367 92.1505 116.226 165.822 -1.26846 -80.4182 63.8578 -59.8657 607.602 PRESSAVG: 1579400 2.9686 -31.3421 26.2228 -31.3421 5.81047 -11.5864 26.2228 -11.5864 14.5071 GPRESSAVG: 1579400 3.45351 -28.993 26.8542 -30.2124 6.09084 -10.7926 25.1731 -11.3087 13.3282 TIMING: 1579400 CPU: 5062.04, 0.00314872/step Wall: 5062.04, 0.00314872/step, 2.99181 hours remaining, 231.312500 MB of memory in use. ENERGY: 1579400 3925.9830 20415.7835 14432.1974 264.5556 -203470.2574 2347.5918 0.0000 0.0000 52313.3771 -109770.7692 300.6457 -162084.1462 -109406.6386 299.1708 134.9994 168.3222 760593.2353 7.7620 7.6242 PRESSURE: 1579600 -34.0504 -136.708 67.8671 -136.707 -105.111 192.29 67.8673 192.291 -128.39 GPRESSURE: 1579600 -76.5174 -169.748 74.3934 -215.051 -22.7069 185.621 12.7279 233.803 -53.2541 PRESSAVG: 1579600 -33.9072 -40.4535 20.4488 -40.4535 18.3117 42.8569 20.4488 42.8569 -1.8451 GPRESSAVG: 1579600 -34.8303 -39.5399 21.3137 -40.6572 18.4083 42.5202 22.0284 44.0578 -1.39492 TIMING: 1579600 CPU: 5062.68, 0.0031832/step Wall: 5062.68, 0.0031832/step, 3.02439 hours remaining, 231.312500 MB of memory in use. ENERGY: 1579600 3934.9870 20444.1275 14434.3223 229.4721 -203057.6083 2210.8601 0.0000 0.0000 52063.4785 -109740.3608 299.2095 -161803.8393 -109378.4467 298.9431 -89.1837 -50.8262 761576.8722 -5.8135 -5.9390 PRESSURE: 1579800 -412.772 -119.211 -253.351 -119.211 165.585 109.056 -253.352 109.054 -108.83 GPRESSURE: 1579800 -291.117 -117.59 -311.318 -114.155 121.871 65.4239 -244.551 -31.3553 -98.0429 PRESSAVG: 1579800 -56.1407 -88.9061 5.36301 -88.9061 53.6244 8.5219 5.36302 8.52186 13.3284 GPRESSAVG: 1579800 -55.8013 -89.932 5.96329 -88.8236 53.2102 8.79357 5.67116 6.26982 13.4678 TIMING: 1579800 CPU: 5063.31, 0.00316443/step Wall: 5063.31, 0.00316443/step, 3.00639 hours remaining, 231.312500 MB of memory in use. ENERGY: 1579800 3973.3288 20507.0345 14517.4658 246.1029 -203356.9433 2343.1893 0.0000 0.0000 52038.1446 -109731.6773 299.0639 -161769.8220 -109362.6552 299.1051 -118.6722 -89.0966 760301.5591 3.6040 3.6256 PRESSURE: 1580000 -82.823 -143.356 54.577 -143.356 42.4029 24.2274 54.5772 24.2267 -280.021 GPRESSURE: 1580000 -10.1112 -189.307 -47.501 -158.875 36.9533 -31.1839 46.1871 -17.3172 -255.988 PRESSAVG: 1580000 34.3177 -53.645 2.92626 -53.645 -28.2812 18.5422 2.92624 18.5421 29.0498 GPRESSAVG: 1580000 34.0954 -53.1821 1.69591 -54.394 -28.531 18.9294 1.60748 16.6633 29.1171 TIMING: 1580000 CPU: 5063.94, 0.00316361/step Wall: 5063.94, 0.00316361/step, 3.00543 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1580000 4089.4942 20609.3039 14439.4951 242.2724 -204001.6399 2893.5489 0.0000 0.0000 52215.1921 -109512.3333 300.0814 -161727.5255 -109157.3044 299.6476 -106.8136 -76.3820 759945.7919 11.6954 11.5605 PRESSURE: 1580200 -42.1406 -133.384 230.745 -133.384 -76.6776 -161.492 230.744 -161.492 -258.856 GPRESSURE: 1580200 -83.8349 -69.3372 299.497 -46.9181 27.2174 -120.245 256.245 -94.9582 -227.231 PRESSAVG: 1580200 -28.9208 -66.6988 -35.7003 -66.6988 6.49752 -11.7116 -35.7003 -11.7117 -10.7372 GPRESSAVG: 1580200 -29.4496 -64.9843 -35.4949 -66.2541 7.69633 -12.7064 -35.6982 -8.37533 -11.024 TIMING: 1580200 CPU: 5064.58, 0.00315908/step Wall: 5064.58, 0.00315908/step, 3.00095 hours remaining, 231.312500 MB of memory in use. ENERGY: 1580200 4041.0500 20645.1660 14466.0887 258.9028 -203127.8543 2140.2485 0.0000 0.0000 52165.0201 -109411.3782 299.7931 -161576.3983 -109054.3997 300.0053 -125.8915 -94.6161 761150.2658 -11.0535 -10.9258 LDB: ============= START OF LOAD BALANCING ============== 5077 LDB: ============== END OF LOAD BALANCING =============== 5077 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5077 LDB: ============= START OF LOAD BALANCING ============== 5077.32 LDB: Largest compute 7066 load 0.033074 is 16.9% of average load 0.195413 LDB: Average compute 0.004399 is 2.3% of average load 0.195413 LDB: TIME 5077.32 LOAD: AVG 0.195413 MAX 0.211184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 5077.32 LOAD: AVG 0.195413 MAX 0.211184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: TIME 5077.32 LOAD: AVG 0.195413 MAX 0.211184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: ============== END OF LOAD BALANCING =============== 5077.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5077.33 PRESSURE: 1580400 41.8449 -2.67037 -173.278 -2.66977 -120.408 200.008 -173.279 200.008 -371.577 GPRESSURE: 1580400 157.744 -12.9878 -281.232 55.1932 -117.084 103.459 -220.174 170.231 -387.878 PRESSAVG: 1580400 28.5556 -57.8304 -18.1617 -57.8305 -46.2749 -15.2951 -18.1617 -15.2951 -8.63028 GPRESSAVG: 1580400 29.6416 -58.3181 -17.6795 -58.3213 -47.3256 -15.877 -18.2806 -16.7843 -9.08185 TIMING: 1580400 CPU: 5065.22, 0.00322557/step Wall: 5065.22, 0.00322557/step, 3.06393 hours remaining, 231.109375 MB of memory in use. ENERGY: 1580400 4043.0544 20775.8804 14532.0618 244.5483 -203519.1904 2266.5213 0.0000 0.0000 52234.9057 -109422.2185 300.1947 -161657.1242 -109054.9162 300.1046 -150.0467 -115.7394 760529.0750 -8.7832 -8.9220 PRESSURE: 1580600 -464.867 71.9804 32.5197 71.981 -141.165 -184.897 32.5196 -184.897 -241.347 GPRESSURE: 1580600 -416.625 -71.1597 83.2788 172.322 -136.394 -227.55 -119.274 -52.4582 -233.703 PRESSAVG: 1580600 0.370062 -18.6492 -48.7546 -18.6492 -1.79334 -43.7889 -48.7546 -43.789 -19.2664 GPRESSAVG: 1580600 0.399346 -20.0728 -49.1223 -18.981 -1.4782 -41.8357 -48.988 -41.8726 -19.3816 TIMING: 1580600 CPU: 5065.86, 0.00317259/step Wall: 5065.86, 0.00317259/step, 3.01344 hours remaining, 231.566406 MB of memory in use. ENERGY: 1580600 4038.4536 20546.9829 14469.5672 238.1558 -203120.8013 2142.8311 0.0000 0.0000 52373.2735 -109311.5374 300.9899 -161684.8109 -108955.9879 300.0045 -282.4595 -262.2404 760216.0467 -6.8965 -6.8202 PRESSURE: 1580800 -430.169 -13.7289 -106.791 -13.7284 37.912 -132.983 -106.79 -132.984 12.0978 GPRESSURE: 1580800 -358.1 -6.76682 -47.0967 48.3565 44.4139 -114.879 20.0707 -150.047 30.0345 PRESSAVG: 1580800 10.5105 -45.9483 0.921812 -45.9484 -5.32102 19.1795 0.92177 19.1796 13.3544 GPRESSAVG: 1580800 10.254 -42.2399 0.407903 -46.8968 -5.63938 17.9201 1.42818 19.2788 13.7438 TIMING: 1580800 CPU: 5066.48, 0.00314336/step Wall: 5066.48, 0.00314336/step, 2.98549 hours remaining, 231.566406 MB of memory in use. ENERGY: 1580800 4061.3446 20378.4965 14599.2768 241.4996 -203543.2689 2542.2208 0.0000 0.0000 52181.8244 -109538.6061 299.8897 -161720.4306 -109175.1915 299.7167 -126.7197 -94.5506 760088.5148 6.1813 6.1195 PRESSURE: 1581000 -265.89 60.4321 -85.3835 60.4322 -501.964 -21.7356 -85.3829 -21.7354 210.272 GPRESSURE: 1581000 -264.025 -36.96 -66.9817 53.1285 -400.948 -89.3477 24.5653 -84.128 188.669 PRESSAVG: 1581000 28.079 -48.4729 -49.0019 -48.4728 17.1551 -37.5038 -49.0019 -37.5038 -7.67277 GPRESSAVG: 1581000 27.9298 -50.7614 -47.3742 -47.4061 18.2496 -36.2268 -47.6507 -40.2507 -8.36643 TIMING: 1581000 CPU: 5067.12, 0.00316705/step Wall: 5067.12, 0.00316705/step, 3.00781 hours remaining, 231.566406 MB of memory in use. ENERGY: 1581000 4029.9538 20482.3177 14576.3373 251.2074 -203200.8751 2297.7679 0.0000 0.0000 51857.3518 -109705.9392 298.0249 -161563.2910 -109343.6487 299.2432 -185.8605 -158.7680 761248.4465 12.5204 12.6043 PRESSURE: 1581200 -108.244 -123.758 39.2183 -123.757 -266.945 120.202 39.2167 120.202 29.1936 GPRESSURE: 1581200 -170.614 -106.808 102.807 -159.083 -168.362 107.075 -27.4158 123.11 75.2205 PRESSAVG: 1581200 -83.6909 16.0505 16.1278 16.0505 9.40684 -3.52601 16.1278 -3.52595 -4.04481 GPRESSAVG: 1581200 -84.5624 16.9232 15.4597 14.8344 9.52427 -4.34891 15.4516 -2.76344 -3.16976 TIMING: 1581200 CPU: 5067.75, 0.00316323/step Wall: 5067.75, 0.00316323/step, 3.00401 hours remaining, 231.566406 MB of memory in use. ENERGY: 1581200 3965.2997 20513.7896 14461.5406 215.9611 -203062.2323 2225.7352 0.0000 0.0000 52029.9580 -109649.9480 299.0169 -161679.9060 -109285.1761 299.5853 -115.3318 -87.9186 760841.6014 -26.1096 -26.0693 PRESSURE: 1581400 164.429 229.201 -164.803 229.2 -25.3006 98.0735 -164.803 98.0738 230.459 GPRESSURE: 1581400 165.515 308.804 -99.2602 234.457 33.4754 151.783 -212.966 -114.044 267.748 PRESSAVG: 1581400 14.7878 1.36749 -29.533 1.36753 1.06871 -0.266261 -29.5331 -0.266198 -2.89787 GPRESSAVG: 1581400 14.8572 -0.770039 -29.1554 2.9784 1.15778 0.734588 -30.3436 0.0696289 -2.98103 TIMING: 1581400 CPU: 5068.38, 0.00317089/step Wall: 5068.38, 0.00317089/step, 3.01111 hours remaining, 231.566406 MB of memory in use. ENERGY: 1581400 3933.7933 20397.5827 14427.4794 238.8907 -202982.7954 2360.0860 0.0000 0.0000 52086.0348 -109538.9285 299.3392 -161624.9633 -109168.2006 299.2311 123.1958 155.5796 760787.1916 4.3195 4.3447 PRESSURE: 1581600 -128.035 71.5477 -87.721 71.5478 189.242 20.7574 -87.7215 20.7568 110.951 GPRESSURE: 1581600 -47.0936 60.6223 -162.945 84.0564 193.213 3.30828 -2.38314 1.81809 107.841 PRESSAVG: 1581600 -55.2077 13.3898 7.48865 13.3898 33.5751 -8.51478 7.48858 -8.51484 -18.6385 GPRESSAVG: 1581600 -55.2501 14.5368 7.57793 12.1626 33.9036 -7.14217 5.20464 -8.57403 -18.4005 TIMING: 1581600 CPU: 5069.01, 0.0031447/step Wall: 5069.01, 0.0031447/step, 2.98606 hours remaining, 231.566406 MB of memory in use. ENERGY: 1581600 4078.1446 20602.0770 14507.0998 233.6056 -203086.5049 2255.1288 0.0000 0.0000 52105.7843 -109304.6649 299.4527 -161410.4492 -108940.6709 299.6968 57.3861 84.6534 761069.3234 -13.4237 -13.2490 PRESSURE: 1581800 136.431 94.7 -152.368 94.7005 -38.096 43.1522 -152.367 43.1523 228.232 GPRESSURE: 1581800 185.035 170.56 -137.626 48.822 -10.491 106.996 -144.445 22.9227 231.715 PRESSAVG: 1581800 -19.9025 17.7301 -27.1111 17.7302 37.9654 37.4981 -27.1111 37.4982 23.2809 GPRESSAVG: 1581800 -18.4877 19.4656 -28.6729 17.9966 36.5883 36.4864 -25.6767 38.9482 23.3137 TIMING: 1581800 CPU: 5069.64, 0.00314884/step Wall: 5069.64, 0.00314884/step, 2.98983 hours remaining, 231.566406 MB of memory in use. ENERGY: 1581800 3998.5216 20482.4777 14418.2675 246.2628 -203506.3395 2608.6030 0.0000 0.0000 52299.6480 -109452.5589 300.5668 -161752.2069 -109086.6076 299.8642 108.8557 135.4195 758310.4351 13.7813 13.8048 PRESSURE: 1582000 128.254 -88.4677 -147.542 -88.4676 20.3648 78.6948 -147.542 78.6947 -113.734 GPRESSURE: 1582000 149.518 -165.32 -145.917 -30.7973 21.7484 31.7336 -79.0387 153.503 -69.3048 PRESSAVG: 1582000 -50.6279 -41.7428 -30.6217 -41.7428 49.5997 20.3091 -30.6217 20.3091 15.2897 GPRESSAVG: 1582000 -50.8625 -42.4287 -28.6503 -42.197 49.6454 19.9727 -32.0426 18.9986 14.7081 TIMING: 1582000 CPU: 5070.27, 0.00314963/step Wall: 5070.27, 0.00314963/step, 2.9904 hours remaining, 231.566406 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: 1582000 3994.5200 20410.3087 14449.4934 240.3983 -203478.6009 2528.7568 0.0000 0.0000 52346.6395 -109508.4842 300.8369 -161855.1237 -109139.4385 299.9291 11.6284 33.9873 760910.2555 4.7538 4.4970 PRESSURE: 1582200 70.9816 -90.5935 255.403 -90.5935 -197.581 -285.107 255.403 -285.107 -13.6222 GPRESSURE: 1582200 -15.7344 -17.613 218.488 -12.1107 -57.0375 -336.389 347.584 -110.432 31.2894 PRESSAVG: 1582200 -8.01313 -14.4017 11.8939 -14.4016 -3.65555 4.57869 11.894 4.57871 23.8085 GPRESSAVG: 1582200 -8.12691 -16.325 10.9446 -13.4022 -4.21529 4.23796 12.5378 4.98511 24.4439 TIMING: 1582200 CPU: 5070.9, 0.00313101/step Wall: 5070.9, 0.00313101/step, 2.97255 hours remaining, 231.566406 MB of memory in use. ENERGY: 1582200 4071.1743 20553.4937 14492.3374 256.6839 -203179.9601 2447.2771 0.0000 0.0000 52036.2953 -109322.6984 299.0533 -161358.9937 -108965.6306 299.9840 -46.7406 -13.8275 761614.9986 4.0466 4.0339 PRESSURE: 1582400 79.3813 218.8 -171.342 218.799 -170.284 240.635 -171.341 240.636 -233.295 GPRESSURE: 1582400 135.158 272.944 -183.851 195.94 -138.282 234.051 -258.185 97.0942 -224.796 PRESSAVG: 1582400 -4.2608 -57.8628 52.912 -57.8629 22.9219 -34.0413 52.912 -34.0413 19.1703 GPRESSAVG: 1582400 -3.26441 -56.7732 52.6072 -58.3479 23.8664 -32.8588 55.0904 -34.8747 17.9605 TIMING: 1582400 CPU: 5071.53, 0.00313139/step Wall: 5071.53, 0.00313138/step, 2.97273 hours remaining, 231.566406 MB of memory in use. ENERGY: 1582400 4056.5332 20393.3825 14439.8781 255.2588 -202846.9972 2192.4530 0.0000 0.0000 52283.4130 -109226.0787 300.4735 -161509.4917 -108864.0700 300.5215 -108.0659 -75.9731 761835.1659 12.6104 12.8542 PRESSURE: 1582600 -398.581 -198.192 177.144 -198.193 226.66 172.195 177.144 172.195 -77.2377 GPRESSURE: 1582600 -349.191 -177.073 259.59 -132.358 245.234 165.992 79.7232 137.187 -61.338 PRESSAVG: 1582600 -60.4505 -32.2256 -8.98059 -32.2256 38.6232 14.206 -8.98059 14.206 -10.312 GPRESSAVG: 1582600 -60.8684 -31.4801 -9.41518 -33.9497 38.086 11.8057 -13.3621 15.701 -9.53868 TIMING: 1582600 CPU: 5072.16, 0.00315103/step Wall: 5072.16, 0.00315103/step, 2.9912 hours remaining, 231.566406 MB of memory in use. ENERGY: 1582600 4032.8520 20667.3683 14460.7170 239.5122 -202652.6736 2126.7727 0.0000 0.0000 52113.6013 -109011.8502 299.4976 -161125.4515 -108659.5789 300.2452 -83.0527 -55.0983 760352.1906 -10.7131 -10.7737 PRESSURE: 1582800 -65.4035 108.132 -74.2984 108.132 -158.09 -70.77 -74.299 -70.7696 -675.923 GPRESSURE: 1582800 -78.0269 73.6529 -58.0094 59.8719 -48.7802 -114.257 -9.51041 -18.7207 -674.16 PRESSAVG: 1582800 -19.2928 -28.2168 45.5269 -28.2168 37.5845 10.5661 45.5269 10.5661 24.0144 GPRESSAVG: 1582800 -19.3325 -28.8311 45.9475 -28.313 37.689 11.5902 49.4548 9.51725 24.0994 TIMING: 1582800 CPU: 5072.79, 0.00315703/step Wall: 5072.79, 0.00315703/step, 2.99673 hours remaining, 231.566406 MB of memory in use. ENERGY: 1582800 4030.0007 20520.6279 14423.0586 253.5076 -202577.5388 2021.7228 0.0000 0.0000 52252.1067 -109076.5145 300.2936 -161328.6212 -108718.6695 300.3096 -299.8056 -266.9890 761927.5107 14.1020 14.1520 PRESSURE: 1583000 -23.1908 -53.6159 38.2519 -53.6153 -453.479 250.538 38.2511 250.538 -209.974 GPRESSURE: 1583000 39.3963 -50.3638 75.0208 -66.4357 -462.579 257.619 -39.9671 220.159 -162.94 PRESSAVG: 1583000 -22.1837 -17.59 35.4407 -17.5899 24.6456 21.486 35.4407 21.486 37.5928 GPRESSAVG: 1583000 -22.6855 -19.2859 35.642 -15.0541 24.0989 22.211 33.4636 21.8711 38.3253 TIMING: 1583000 CPU: 5073.42, 0.00317295/step Wall: 5073.42, 0.00317295/step, 3.01166 hours remaining, 231.566406 MB of memory in use. ENERGY: 1583000 4025.8210 20544.8426 14512.2116 255.9643 -202724.8085 2201.3778 0.0000 0.0000 52238.7841 -108945.8072 300.2170 -161184.5913 -108583.3062 300.3710 -228.8812 -195.3741 762284.9308 13.3515 13.2463 PRESSURE: 1583200 88.3717 -149.706 264.831 -149.706 -121.289 -149.796 264.831 -149.796 -3.63684 GPRESSURE: 1583200 69.7562 -207.651 251.678 -229.934 -41.241 -123.805 185.698 -188.635 47.0367 PRESSAVG: 1583200 -14.5952 -23.5114 26.5819 -23.5114 39.8733 -29.3722 26.5819 -29.3721 10.3648 GPRESSAVG: 1583200 -14.4939 -22.1819 26.3085 -23.7854 40.8667 -30.9321 27.162 -31.6496 9.59605 TIMING: 1583200 CPU: 5074.06, 0.00317122/step Wall: 5074.06, 0.00317122/step, 3.00984 hours remaining, 231.566406 MB of memory in use. ENERGY: 1583200 4014.3504 20641.7408 14479.0130 240.8335 -203048.9390 2552.4195 0.0000 0.0000 52367.9575 -108752.6242 300.9594 -161120.5817 -108381.7692 300.8209 -12.1848 25.1840 762321.2337 11.8810 11.9896 PRESSURE: 1583400 -382.014 147.713 17.8297 147.713 -144.329 -45.5712 17.8303 -45.5727 -356.022 GPRESSURE: 1583400 -327.542 173.437 -76.5439 84.4625 -185.539 -34.5232 95.091 62.826 -295.393 PRESSAVG: 1583400 3.40445 0.0683829 47.4835 0.0683665 -61.3119 -32.4696 47.4835 -32.4695 -17.14 GPRESSAVG: 1583400 3.78116 1.23809 46.1262 -1.22098 -61.4635 -32.0804 46.4876 -28.6515 -17.4522 TIMING: 1583400 CPU: 5074.69, 0.0031772/step Wall: 5074.69, 0.00317721/step, 3.01534 hours remaining, 231.566406 MB of memory in use. ENERGY: 1583400 4006.0372 20698.9645 14395.7118 257.9919 -202917.3250 2395.6480 0.0000 0.0000 52444.6136 -108718.3580 301.3999 -161162.9716 -108363.6292 300.7748 -294.1217 -269.4917 763888.4570 -25.0158 -25.0448 PRESSURE: 1583600 -64.9345 168.991 -97.6505 168.991 -250.429 27.3977 -97.6508 27.3974 460.532 GPRESSURE: 1583600 -25.7005 122.017 -53.598 185.257 -193.086 105.996 -20.9023 -127.579 463.661 PRESSAVG: 1583600 31.6086 21.5629 17.6692 21.563 -17.7218 -21.8331 17.6692 -21.833 28.6591 GPRESSAVG: 1583600 30.6899 21.1919 20.1991 21.9982 -16.5363 -20.0989 20.1072 -23.3034 28.2765 TIMING: 1583600 CPU: 5075.33, 0.00317293/step Wall: 5075.33, 0.00317293/step, 3.01111 hours remaining, 231.566406 MB of memory in use. ENERGY: 1583600 3969.9864 20518.2760 14454.0948 255.3328 -202386.2682 2206.5274 0.0000 0.0000 52322.6970 -108659.3537 300.6993 -160982.0507 -108301.4934 300.9761 48.3893 81.6247 761884.4985 14.1820 14.1433 PRESSURE: 1583800 248.121 -76.6124 121.468 -76.6125 363.506 -149.284 121.468 -149.285 92.616 GPRESSURE: 1583800 338.374 8.87872 137.307 -34.6247 334.981 -262.215 71.4052 -126.552 115.746 PRESSAVG: 1583800 28.1981 -82.2054 16.4945 -82.2054 -3.43288 16.0372 16.4946 16.0372 25.2134 GPRESSAVG: 1583800 28.9055 -82.5249 15.0034 -81.7838 -5.07622 15.2926 15.1523 16.6061 26.0704 TIMING: 1583800 CPU: 5075.96, 0.00317772/step Wall: 5075.96, 0.00317772/step, 3.01548 hours remaining, 231.566406 MB of memory in use. ENERGY: 1583800 3944.9095 20480.1539 14443.4376 253.3739 -203401.6302 2982.0936 0.0000 0.0000 52408.5939 -108889.0680 301.1929 -161297.6618 -108527.6445 300.8791 234.7479 263.0333 760885.3419 16.6596 16.6333 PRESSURE: 1584000 4.8244 -108.046 -5.18323 -108.046 62.0368 -163.503 -5.18279 -163.503 -89.5077 GPRESSURE: 1584000 11.3348 -77.5776 12.4939 -68.2969 101.207 -171.47 -94.991 -140.898 -66.0867 PRESSAVG: 1584000 -5.03945 -15.8547 -15.1447 -15.8547 -3.48269 -2.93047 -15.1446 -2.9305 24.356 GPRESSAVG: 1584000 -5.5168 -13.8282 -14.6859 -14.8694 -3.29944 -3.86727 -15.704 -4.61606 24.6211 TIMING: 1584000 CPU: 5076.6, 0.00317003/step Wall: 5076.6, 0.00317003/step, 3.00801 hours remaining, 231.566406 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: 1584000 4016.1283 20614.4210 14486.5327 235.6629 -203128.8421 2366.3339 0.0000 0.0000 52230.1431 -109179.6201 300.1674 -161409.7632 -108812.5449 300.6851 -7.5488 15.4849 761816.0340 5.2779 5.2683 PRESSURE: 1584200 177.846 -131.001 -119.468 -131.001 92.7762 221.128 -119.468 221.128 118.934 GPRESSURE: 1584200 218.821 -159.503 -61.3782 27.9252 152.292 177.582 -191.076 177.471 112.328 PRESSAVG: 1584200 -74.6372 -20.0501 5.03014 -20.0501 45.5324 0.854487 5.03012 0.854456 -0.362995 GPRESSAVG: 1584200 -74.8436 -22.2355 4.64971 -20.2434 46.8646 2.01367 5.37851 1.18896 -0.82994 TIMING: 1584200 CPU: 5077.23, 0.00317398/step Wall: 5077.23, 0.00317398/step, 3.01158 hours remaining, 231.566406 MB of memory in use. ENERGY: 1584200 3927.2051 20497.0884 14550.2600 245.5275 -203142.0656 2454.4036 0.0000 0.0000 52230.8873 -109236.6938 300.1716 -161467.5811 -108872.8936 299.8864 129.8521 161.1469 761838.7823 -9.8226 -9.6030 LDB: ============= START OF LOAD BALANCING ============== 5089.65 LDB: ============== END OF LOAD BALANCING =============== 5089.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5089.65 LDB: ============= START OF LOAD BALANCING ============== 5089.97 LDB: Largest compute 7066 load 0.034659 is 17.7% of average load 0.195319 LDB: Average compute 0.004390 is 2.2% of average load 0.195319 LDB: TIME 5089.97 LOAD: AVG 0.195319 MAX 0.214327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.621 MB LDB: TIME 5089.97 LOAD: AVG 0.195319 MAX 0.214327 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: TIME 5089.97 LOAD: AVG 0.195319 MAX 0.214327 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: ============== END OF LOAD BALANCING =============== 5089.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5089.98 PRESSURE: 1584400 -167.319 -23.7684 -156.913 -23.7692 -392.783 42.5414 -156.914 42.5404 -242.942 GPRESSURE: 1584400 -247.223 78.011 -123.222 15.5234 -204.277 43.7508 2.81741 35.9991 -268.153 PRESSAVG: 1584400 -20.6803 -32.5665 19.8489 -32.5664 8.71996 -10.1575 19.8489 -10.1574 11.6505 GPRESSAVG: 1584400 -20.1078 -33.7977 21.2755 -32.2334 8.33836 -12.1674 19.5508 -8.69394 11.5866 TIMING: 1584400 CPU: 5077.87, 0.00321521/step Wall: 5077.87, 0.00321522/step, 3.05052 hours remaining, 230.597656 MB of memory in use. ENERGY: 1584400 4069.0761 20519.9204 14486.7859 244.5568 -202582.5449 2115.1358 0.0000 0.0000 52038.3260 -109108.7439 299.0650 -161147.0699 -108739.2751 300.0453 -267.6811 -239.8842 762712.5429 -0.1033 -0.0610 PRESSURE: 1584600 -30.6099 -134.832 -157.281 -134.832 225.104 -172.113 -157.281 -172.112 38.3778 GPRESSURE: 1584600 -46.8934 -146.645 -113.103 -23.3082 230.659 -161.937 36.0989 -159.034 120.049 PRESSAVG: 1584600 -24.7366 13.6443 -24.2811 13.6443 54.0721 0.742201 -24.2811 0.742217 -16.8427 GPRESSAVG: 1584600 -25.7062 15.7441 -23.5761 11.7936 53.8516 2.61551 -22.4756 -0.372627 -15.9309 TIMING: 1584600 CPU: 5078.5, 0.00315501/step Wall: 5078.5, 0.00315501/step, 2.99323 hours remaining, 230.800781 MB of memory in use. ENERGY: 1584600 3967.4413 20416.9022 14506.0440 246.6081 -203242.7387 2679.8383 0.0000 0.0000 52277.7405 -109148.1642 300.4409 -161425.9047 -108783.0672 300.0444 77.6238 101.2715 761806.8118 4.1643 4.0715 PRESSURE: 1584800 -142.446 -33.5865 37.4731 -33.5866 -185.507 157.703 37.4738 157.703 -256.607 GPRESSURE: 1584800 -117.73 58.4188 -19.1809 -46.6497 -175.208 90.0332 84.9097 206.026 -208.581 PRESSAVG: 1584800 -14.3887 -23.0078 5.24051 -23.0077 6.33507 6.70586 5.24055 6.70581 2.91672 GPRESSAVG: 1584800 -13.5785 -22.5023 3.67803 -22.2526 6.03602 5.42493 4.73685 7.29172 2.62101 TIMING: 1584800 CPU: 5079.14, 0.00315479/step Wall: 5079.14, 0.00315479/step, 2.99285 hours remaining, 230.800781 MB of memory in use. ENERGY: 1584800 3912.6709 20588.4303 14394.3366 240.1756 -203174.4650 2361.3460 0.0000 0.0000 52391.3135 -109286.1922 301.0936 -161677.5057 -108924.5205 300.3026 -194.8535 -167.1733 763191.7061 -1.7123 -1.6405 PRESSURE: 1585000 39.1936 -85.0281 -162.903 -85.0281 -130.247 -25.2002 -162.903 -25.2005 -340.086 GPRESSURE: 1585000 -47.0764 -117.786 -190.95 -67.9332 -57.5053 -42.3347 -125.345 27.5458 -241.473 PRESSAVG: 1585000 1.63713 -5.56111 -34.3127 -5.56112 -5.76689 -12.5959 -34.3126 -12.5959 -30.7599 GPRESSAVG: 1585000 1.85094 -7.32673 -33.9548 -6.23282 -5.2811 -11.4005 -34.2839 -11.3121 -31.5231 TIMING: 1585000 CPU: 5079.76, 0.00313819/step Wall: 5079.76, 0.00313819/step, 2.97693 hours remaining, 230.800781 MB of memory in use. ENERGY: 1585000 3952.4680 20628.0943 14493.6546 253.4756 -203249.7422 2591.7591 0.0000 0.0000 51873.4061 -109456.8845 298.1172 -161330.2906 -109100.0918 299.7784 -143.7131 -115.3517 762729.8132 -11.6299 -11.6511 PRESSURE: 1585200 -162.756 -67.1373 -76.3308 -67.1369 58.288 -73.7728 -76.3311 -73.7722 -320.79 GPRESSURE: 1585200 -61.0466 4.51966 72.0799 -86.7562 -0.779436 -138.685 -53.3458 -189.315 -276.512 PRESSAVG: 1585200 -5.59717 -6.6742 -26.8055 -6.67419 21.574 1.27622 -26.8055 1.27615 17.2092 GPRESSAVG: 1585200 -5.50095 -3.55196 -26.8237 -7.60193 20.6472 -1.53882 -28.5887 0.710161 17.5814 TIMING: 1585200 CPU: 5080.39, 0.00314208/step Wall: 5080.39, 0.00314208/step, 2.98043 hours remaining, 230.800781 MB of memory in use. ENERGY: 1585200 3982.6243 20316.0623 14484.8944 242.9523 -202976.1185 2304.9901 0.0000 0.0000 52330.4809 -109314.1141 300.7440 -161644.5951 -108959.4211 299.4158 -141.7525 -112.7794 761698.6571 11.0620 10.9092 PRESSURE: 1585400 72.5583 -249.662 -23.8876 -249.662 -456.438 -198.386 -23.887 -198.384 -60.6453 GPRESSURE: 1585400 -23.0617 -220.462 -18.4505 -211.203 -209.223 -266.401 -132.084 -162.438 -130.223 PRESSAVG: 1585400 56.9837 2.9988 -41.1025 2.99883 -2.96916 -41.7436 -41.1025 -41.7435 10.8254 GPRESSAVG: 1585400 58.1589 4.33192 -43.9516 2.67421 -3.35232 -39.5714 -40.2682 -44.1819 10.3093 TIMING: 1585400 CPU: 5081.02, 0.00313195/step Wall: 5081.02, 0.00313195/step, 2.97066 hours remaining, 230.800781 MB of memory in use. ENERGY: 1585400 3955.3093 20278.3536 14491.4701 222.3863 -203151.9846 2258.2735 0.0000 0.0000 52475.6718 -109470.5200 301.5784 -161946.1918 -109100.5348 299.9092 -148.1749 -120.8358 761773.3944 21.6133 21.7053 PRESSURE: 1585600 -221.014 43.9069 -180.131 43.9064 146.177 108.683 -180.131 108.682 53.9609 GPRESSURE: 1585600 -145.778 90.3705 -121.759 27.0125 141.732 145.297 -144.038 147 76.797 PRESSAVG: 1585600 -21.0672 -3.96954 -16.6371 -3.96951 -26.8663 -41.0422 -16.6371 -41.0422 -15.3995 GPRESSAVG: 1585600 -21.9613 -8.2808 -14.2067 -2.92372 -27.1228 -40.4384 -17.0651 -38.9159 -14.7003 TIMING: 1585600 CPU: 5081.65, 0.00314897/step Wall: 5081.65, 0.00314897/step, 2.98662 hours remaining, 230.800781 MB of memory in use. ENERGY: 1585600 3975.6526 20300.2877 14497.1748 244.6128 -202991.5859 2463.5386 0.0000 0.0000 51983.9921 -109526.3273 298.7527 -161510.3194 -109169.4696 298.7848 -6.9586 24.2503 762630.9580 -21.1110 -21.2615 PRESSURE: 1585800 212.059 51.9971 83.4136 51.9975 -80.5474 -42.3401 83.4138 -42.3403 -83.7147 GPRESSURE: 1585800 249.603 3.67635 79.6589 77.6694 -147.483 -9.52269 65.9865 -82.6818 34.0353 PRESSAVG: 1585800 -17.2888 18.6139 -17.9175 18.6139 5.72404 7.05063 -17.9175 7.05062 10.6062 GPRESSAVG: 1585800 -17.7107 20.271 -17.8604 18.2123 5.96451 6.68416 -18.2105 4.40087 10.4723 TIMING: 1585800 CPU: 5082.28, 0.00315026/step Wall: 5082.28, 0.00315025/step, 2.98767 hours remaining, 230.800781 MB of memory in use. ENERGY: 1585800 3903.9996 20448.9642 14508.3189 250.5645 -203091.6214 2393.0864 0.0000 0.0000 52009.0086 -109577.6793 298.8965 -161586.6878 -109215.9608 299.0755 15.9322 45.3852 761541.1206 -0.3195 -0.4246 PRESSURE: 1586000 1.34018 133.401 122.597 133.401 -183.496 -116.178 122.596 -116.179 -54.3395 GPRESSURE: 1586000 59.556 34.743 158.452 107.306 -170.568 -171.611 125.879 -200.119 -41.9658 PRESSAVG: 1586000 29.0011 41.1542 -31.5317 41.1541 -6.57323 -6.98227 -31.5317 -6.9823 5.10803 GPRESSAVG: 1586000 28.8292 39.7395 -32.7467 41.1503 -6.38533 -7.13313 -30.5327 -6.09299 5.30631 TIMING: 1586000 CPU: 5082.91, 0.00315148/step Wall: 5082.91, 0.00315148/step, 2.98866 hours remaining, 230.800781 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: 1586000 3967.0177 20315.1664 14436.6825 245.7343 -203773.6649 2794.3067 0.0000 0.0000 52427.1826 -109587.5747 301.2997 -162014.7573 -109228.6059 299.6858 -78.8318 -50.9925 760099.5676 9.1786 9.2501 PRESSURE: 1586200 -181.772 184.741 -44.4932 184.741 49.275 -86.0134 -44.4932 -86.0137 -105.932 GPRESSURE: 1586200 -127.051 136.41 -116.934 250.06 22.4311 -115.729 -138.167 -101.043 -45.7327 PRESSAVG: 1586200 -19.6081 -0.342712 -13.6673 -0.342693 19.0052 -72.4194 -13.6674 -72.4194 -6.30348 GPRESSAVG: 1586200 -18.2876 0.870432 -12.7231 1.14628 18.7912 -72.2219 -14.7186 -70.1982 -6.63313 TIMING: 1586200 CPU: 5083.54, 0.00313763/step Wall: 5083.54, 0.00313763/step, 2.97535 hours remaining, 230.800781 MB of memory in use. ENERGY: 1586200 4009.9816 20404.1753 14452.1147 254.5694 -203246.2415 2499.2946 0.0000 0.0000 51948.3202 -109677.7856 298.5477 -161626.1059 -109314.7983 299.3033 -79.4762 -50.1176 760514.5457 -2.3021 -2.0432 PRESSURE: 1586400 0.866158 194.775 -177.283 194.775 87.6427 -213.905 -177.283 -213.905 -169.191 GPRESSURE: 1586400 74.1606 259.508 -78.3631 200.937 135.201 -113.678 -70.0881 -114.218 -188.769 PRESSAVG: 1586400 18.1686 8.02588 -37.1621 8.02586 -27.7166 -39.9241 -37.1621 -39.9241 -16.4616 GPRESSAVG: 1586400 18.4388 6.54138 -36.4911 7.98301 -28.0893 -40.8708 -37.5211 -41.5226 -16.1201 TIMING: 1586400 CPU: 5084.17, 0.00315006/step Wall: 5084.17, 0.00315006/step, 2.98695 hours remaining, 230.800781 MB of memory in use. ENERGY: 1586400 4067.0376 20500.8181 14369.2361 242.1283 -203319.5131 2477.7011 0.0000 0.0000 52358.7901 -109303.8017 300.9067 -161662.5918 -108939.3543 299.4495 -26.8942 6.8641 760195.7852 -8.6699 -8.5902 PRESSURE: 1586600 -123.307 -183.224 25.4184 -183.223 -191.926 100.367 25.4187 100.367 -100.884 GPRESSURE: 1586600 -90.5136 -193.889 83.5949 -273.103 -108.873 96.1457 79.6468 -38.6174 -144.718 PRESSAVG: 1586600 -26.4336 0.579081 70.0734 0.579051 -33.7386 -10.3129 70.0735 -10.3129 19.8324 GPRESSAVG: 1586600 -27.3584 0.169549 70.1999 0.163633 -32.2412 -11.1235 70.8499 -10.0396 19.4524 TIMING: 1586600 CPU: 5084.79, 0.00314624/step Wall: 5084.79, 0.00314624/step, 2.98316 hours remaining, 230.800781 MB of memory in use. ENERGY: 1586600 4023.1278 20543.7371 14444.6361 253.9831 -202977.9110 2410.4627 0.0000 0.0000 52076.0533 -109225.9109 299.2818 -161301.9643 -108862.5413 300.3424 -138.7058 -114.7015 762031.0343 -13.4466 -13.3824 PRESSURE: 1586800 181.91 25.922 176.331 25.9223 -264.211 -191.736 176.331 -191.736 -42.6696 GPRESSURE: 1586800 214.407 1.80416 219.505 164.188 -277.047 -149.533 140.086 -238.911 8.82989 PRESSAVG: 1586800 11.4441 -0.511057 44.2638 -0.511141 -20.1055 6.74213 44.2639 6.74203 10.0139 GPRESSAVG: 1586800 11.3813 -1.85348 44.6486 1.14569 -19.6914 7.4994 43.3864 5.87858 9.58138 TIMING: 1586800 CPU: 5085.43, 0.00315861/step Wall: 5085.43, 0.00315861/step, 2.99471 hours remaining, 230.800781 MB of memory in use. ENERGY: 1586800 3992.4034 20591.3064 14457.9655 242.0258 -203310.7017 2491.4186 0.0000 0.0000 52127.1790 -109408.4029 299.5756 -161535.5819 -109042.4191 299.8007 -41.6571 -17.9365 762142.8202 0.4508 0.4237 PRESSURE: 1587000 -13.7056 -14.5845 -78.4984 -14.5849 131.781 35.9257 -78.4982 35.9261 -152.876 GPRESSURE: 1587000 48.7204 -27.8128 -141.038 -118.159 162.831 3.01845 36.0826 -61.081 -169.132 PRESSAVG: 1587000 39.6798 -24.5844 11.3437 -24.5844 -47.8289 -48.0921 11.3437 -48.0921 -7.03632 GPRESSAVG: 1587000 40.4011 -21.6769 9.24285 -28.0988 -49.6261 -47.7112 14.9932 -47.8059 -6.25335 TIMING: 1587000 CPU: 5086.06, 0.00317324/step Wall: 5086.06, 0.00317324/step, 3.00841 hours remaining, 230.800781 MB of memory in use. ENERGY: 1587000 4044.8921 20667.1656 14505.7992 232.0956 -203118.7588 2331.4202 0.0000 0.0000 51916.9978 -109420.3882 298.3677 -161337.3861 -109068.1460 299.3499 -11.6002 14.1398 761318.3697 -5.0618 -5.1594 PRESSURE: 1587200 -60.0786 -12.5409 -141.338 -12.5404 130.069 30.4597 -141.337 30.4592 192.188 GPRESSURE: 1587200 16.1316 90.4372 -165.657 -24.2006 150.646 -19.3319 -132.386 29.143 175.537 PRESSAVG: 1587200 51.2794 -45.2647 10.1073 -45.2646 -2.75245 -44.4981 10.1074 -44.4982 0.959946 GPRESSAVG: 1587200 50.9412 -47.7093 11.6843 -41.3166 -1.63645 -44.2874 9.71599 -44.7707 0.269516 TIMING: 1587200 CPU: 5086.69, 0.00315338/step Wall: 5086.69, 0.00315338/step, 2.98941 hours remaining, 230.800781 MB of memory in use. ENERGY: 1587200 3980.9206 20517.1033 14531.2833 270.0108 -203518.3184 2609.4119 0.0000 0.0000 52035.6604 -109573.9282 299.0497 -161609.5886 -109217.5034 299.2002 87.3928 114.1051 760088.6511 16.4956 16.5247 PRESSURE: 1587400 -166.855 -144.713 276.411 -144.713 -209.142 -86.484 276.411 -86.4841 -67.7404 GPRESSURE: 1587400 -110.472 -193.807 229.456 -141.499 -71.7396 -82.833 202.438 24.5241 -172.789 PRESSAVG: 1587400 27.4031 -30.319 83.6727 -30.3189 -68.037 -10.7751 83.6728 -10.7751 12.8519 GPRESSAVG: 1587400 26.8403 -28.1261 83.0275 -31.9836 -67.4218 -11.24 80.5159 -9.8581 12.5495 TIMING: 1587400 CPU: 5087.33, 0.00317256/step Wall: 5087.33, 0.00317256/step, 3.00741 hours remaining, 230.800781 MB of memory in use. ENERGY: 1587400 3982.2146 20463.4439 14548.9332 255.2886 -203068.3764 2324.5978 0.0000 0.0000 52120.8088 -109373.0896 299.5390 -161493.8984 -109008.2652 299.5413 -147.9125 -118.3335 760524.8085 -9.2607 -9.3440 PRESSURE: 1587600 151.095 -59.2085 -1.57609 -59.208 -122.687 -218.538 -1.57598 -218.538 -153.481 GPRESSURE: 1587600 146.379 -47.6817 -116.857 21.7619 -149.328 -212.971 125.02 -126.112 -35.8604 PRESSAVG: 1587600 64.7255 -80.8492 42.0375 -80.8492 -47.1869 29.8941 42.0375 29.8941 -7.65101 GPRESSAVG: 1587600 65.0096 -83.3915 41.1165 -80.4083 -48.7506 28.5391 44.1866 31.7472 -6.19696 TIMING: 1587600 CPU: 5087.96, 0.00316381/step Wall: 5087.96, 0.00316381/step, 2.99894 hours remaining, 230.800781 MB of memory in use. ENERGY: 1587600 4068.1619 20582.4750 14450.1577 253.0355 -203401.2659 2466.6695 0.0000 0.0000 52177.4867 -109403.2795 299.8647 -161580.7662 -109055.4513 299.2902 -41.6912 -12.9364 760517.1578 3.2959 3.3540 PRESSURE: 1587800 226.254 74.0367 24.0485 74.0363 4.3951 -32.5064 24.0483 -32.5067 396.783 GPRESSURE: 1587800 264.397 103.797 12.7559 30.857 67.8413 34.7305 -16.8343 -46.7085 365.934 PRESSAVG: 1587800 0.615515 -43.7513 -21.9775 -43.7513 -39.5571 -24.7613 -21.9775 -24.7614 -5.99925 GPRESSAVG: 1587800 0.97928 -43.7821 -21.5436 -44.4096 -38.7022 -24.4438 -22.5207 -25.9052 -7.20205 TIMING: 1587800 CPU: 5088.59, 0.00316735/step Wall: 5088.59, 0.00316735/step, 3.00212 hours remaining, 230.800781 MB of memory in use. ENERGY: 1587800 3873.2370 20526.4181 14493.6446 244.8771 -203337.4202 2660.6801 0.0000 0.0000 52157.6295 -109380.9338 299.7506 -161538.5633 -109022.1613 299.6939 209.1441 232.7239 760956.6476 -14.9803 -14.9750 PRESSURE: 1588000 229.135 -124.939 -93.4211 -124.939 -218.084 -110.289 -93.421 -110.289 -91.4736 GPRESSURE: 1588000 305.456 -269.247 -83.0362 21.9762 -218.735 -118.236 47.9639 -94.209 -65.9085 PRESSAVG: 1588000 63.4266 -69.661 -39.1873 -69.6611 -82.6783 -32.1824 -39.1873 -32.1825 11.5734 GPRESSAVG: 1588000 62.7857 -69.3766 -39.1662 -69.6177 -83.4177 -30.136 -36.9111 -33.8256 12.8375 TIMING: 1588000 CPU: 5089.24, 0.00322017/step Wall: 5089.24, 0.00322017/step, 3.052 hours remaining, 230.800781 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: 1588000 3972.2802 20497.7469 14502.8274 236.9507 -203349.6241 2429.0553 0.0000 0.0000 52506.2134 -109204.5502 301.7539 -161710.7635 -108846.5983 299.8069 -26.8073 6.9376 759315.8249 -2.5594 -2.5982 PRESSURE: 1588200 -191.318 -391.263 101.615 -391.263 -214.062 106.895 101.615 106.895 -257.877 GPRESSURE: 1588200 -262.334 -350.129 26.1204 -384.691 -175.235 116.705 76.0795 24.3223 -126.142 PRESSAVG: 1588200 40.1942 -86.0213 -19.0524 -86.0212 3.04248 -50.4186 -19.0524 -50.4186 -23.6235 GPRESSAVG: 1588200 39.8793 -86.002 -19.458 -86.3827 4.12689 -50.6021 -20.4049 -51.8588 -24.212 TIMING: 1588200 CPU: 5089.87, 0.00317638/step Wall: 5089.87, 0.00317638/step, 3.01033 hours remaining, 230.800781 MB of memory in use. ENERGY: 1588200 3999.6113 20480.7069 14563.5489 252.8579 -203184.6049 2298.7975 0.0000 0.0000 52452.4251 -109136.6572 301.4448 -161589.0823 -108768.4430 300.2590 -221.0856 -187.9034 759738.7187 6.5377 6.5981 LDB: ============= START OF LOAD BALANCING ============== 5102.3 LDB: ============== END OF LOAD BALANCING =============== 5102.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5102.3 LDB: ============= START OF LOAD BALANCING ============== 5102.62 LDB: Largest compute 7066 load 0.033486 is 17.1% of average load 0.195426 LDB: Average compute 0.004374 is 2.2% of average load 0.195426 LDB: TIME 5102.62 LOAD: AVG 0.195426 MAX 0.212528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.367 MB LDB: TIME 5102.62 LOAD: AVG 0.195426 MAX 0.212528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: TIME 5102.62 LOAD: AVG 0.195426 MAX 0.212528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: ============== END OF LOAD BALANCING =============== 5102.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5102.63 PRESSURE: 1588400 31.3747 -143.106 188.232 -143.106 -109.629 55.325 188.232 55.3245 -129.217 GPRESSURE: 1588400 22.9074 -210.626 179.086 -87.597 10.3157 102.482 245.483 70.8041 -139.175 PRESSAVG: 1588400 -10.0443 -50.9596 15.1631 -50.9596 -26.4636 -9.38453 15.163 -9.3845 11.9924 GPRESSAVG: 1588400 -10.0215 -50.3653 15.4206 -49.1972 -27.7867 -9.32652 15.6529 -8.41548 12.7229 TIMING: 1588400 CPU: 5090.52, 0.00325386/step Wall: 5090.52, 0.00325386/step, 3.08358 hours remaining, 232.339844 MB of memory in use. ENERGY: 1588400 4005.2920 20391.6759 14395.3084 238.0507 -203107.0433 2467.2074 0.0000 0.0000 52309.3304 -109300.1784 300.6224 -161609.5088 -108947.5535 299.7280 -69.1569 -35.3171 761707.4518 -8.1718 -8.3618 PRESSURE: 1588600 155.913 47.1759 75.9349 47.176 -233.405 -92.958 75.9343 -92.9578 -52.6922 GPRESSURE: 1588600 182.721 53.9345 -87.9338 13.8196 -179.142 -114.388 153.124 30.5669 -36.5131 PRESSAVG: 1588600 10.0949 -64.7761 -18.1928 -64.7761 -34.009 -23.7678 -18.1928 -23.7678 29.4422 GPRESSAVG: 1588600 10.5956 -65.4096 -17.9394 -65.573 -33.3968 -24.5526 -18.6621 -21.4324 28.2973 TIMING: 1588600 CPU: 5091.16, 0.00316732/step Wall: 5091.16, 0.00316732/step, 3.00139 hours remaining, 232.410156 MB of memory in use. ENERGY: 1588600 4093.6384 20505.4682 14450.0429 247.9184 -203250.6805 2883.7116 0.0000 0.0000 51864.6155 -109205.2856 298.0667 -161069.9011 -108854.2949 299.8101 -43.3947 -10.9781 760779.6026 1.8427 1.8320 PRESSURE: 1588800 57.1699 -29.4343 40.3617 -29.4333 49.4031 -96.022 40.3616 -96.0231 153.21 GPRESSURE: 1588800 49.3518 3.73513 -2.59942 -75.3317 97.2079 -55.6728 28.4405 -219.662 215.347 PRESSAVG: 1588800 -64.5229 -29.752 21.3784 -29.7521 15.4904 -8.829 21.3785 -8.82891 13.8438 GPRESSAVG: 1588800 -64.7044 -29.7442 20.8246 -29.4432 15.258 -9.68243 21.817 -10.5429 14.2526 TIMING: 1588800 CPU: 5091.79, 0.00315239/step Wall: 5091.79, 0.00315239/step, 2.98707 hours remaining, 232.410156 MB of memory in use. ENERGY: 1588800 3949.7792 20471.3498 14429.7339 254.8252 -202920.0986 2383.9172 0.0000 0.0000 52216.1232 -109214.3700 300.0868 -161430.4932 -108840.8968 299.7777 86.5943 120.6355 761029.8089 -11.7296 -11.7313 PRESSURE: 1589000 -228.673 116.2 213.022 116.2 -3.81747 162.105 213.023 162.105 -79.053 GPRESSURE: 1589000 -242.771 107.356 238.233 -75.0107 84.0439 139.343 178.023 170.922 -67.5945 PRESSAVG: 1589000 3.02334 -40.1829 29.6211 -40.1829 51.1192 -27.917 29.621 -27.917 -1.87885 GPRESSAVG: 1589000 2.77334 -40.6991 30.8455 -41.6327 51.9316 -26.5327 29.5005 -28.1944 -2.69183 TIMING: 1589000 CPU: 5092.41, 0.00313925/step Wall: 5092.41, 0.00313925/step, 2.97444 hours remaining, 232.410156 MB of memory in use. ENERGY: 1589000 4022.6534 20486.4885 14506.8007 226.5109 -202870.2904 2479.2508 0.0000 0.0000 52132.9859 -109015.6004 299.6090 -161148.5862 -108653.5591 300.0824 -103.8478 -75.4405 760716.7134 17.4212 17.3377 PRESSURE: 1589200 178.745 -25.7377 64.4411 -25.7374 199.462 80.2427 64.4424 80.2425 135.226 GPRESSURE: 1589200 226.45 -20.2937 147.702 -29.0029 245.396 99.4006 41.09 10.0042 152.058 PRESSAVG: 1589200 -72.4294 19.5963 10.0782 19.5963 77.8933 -5.02482 10.0782 -5.02475 -0.811811 GPRESSAVG: 1589200 -73.3334 20.5402 8.61768 20.1778 77.9905 -3.91697 10.3388 -5.50909 -0.332502 TIMING: 1589200 CPU: 5093.05, 0.00319047/step Wall: 5093.05, 0.00319047/step, 3.02279 hours remaining, 232.410156 MB of memory in use. ENERGY: 1589200 3937.7405 20703.5803 14426.7247 246.2441 -202946.4587 2609.8482 0.0000 0.0000 51957.7921 -109064.5288 298.6021 -161022.3209 -108707.2974 300.3686 171.1443 207.9683 762810.9956 1.5507 1.4415 PRESSURE: 1589400 -7.11089 143.679 -8.76464 143.679 -28.8345 -85.8574 -8.76526 -85.8585 282.467 GPRESSURE: 1589400 8.92441 95.5028 -2.03648 -14.0479 -4.82597 -62.4601 71.4115 -40.4143 338.628 PRESSAVG: 1589400 45.1742 -28.2184 81.0002 -28.2184 13.8054 31.496 81.0002 31.496 3.48129 GPRESSAVG: 1589400 46.5743 -27.3796 83.0463 -29.7897 12.2827 29.8209 81.1947 33.202 3.99381 TIMING: 1589400 CPU: 5093.69, 0.00317769/step Wall: 5093.69, 0.00317769/step, 3.01051 hours remaining, 232.410156 MB of memory in use. ENERGY: 1589400 3908.9742 20450.7876 14531.2931 254.6741 -202731.7671 2314.5432 0.0000 0.0000 52229.8159 -109041.6791 300.1655 -161271.4949 -108675.5339 299.9260 82.1740 114.2423 762697.4458 20.8203 20.9502 PRESSURE: 1589600 -300.174 -22.0398 45.0099 -22.0392 -361.045 -175.599 45.0096 -175.6 -333.274 GPRESSURE: 1589600 -257.727 -8.88763 91.456 39.042 -341.634 -167.953 -68.0079 -86.222 -317.923 PRESSAVG: 1589600 36.2808 -47.386 -1.28315 -47.3859 -36.6089 -35.1311 -1.28315 -35.1311 -4.49603 GPRESSAVG: 1589600 36.1702 -49.7276 -2.49304 -45.867 -36.4303 -35.778 -1.37832 -35.9879 -4.99873 TIMING: 1589600 CPU: 5094.33, 0.00320191/step Wall: 5094.33, 0.00320191/step, 3.03328 hours remaining, 232.410156 MB of memory in use. ENERGY: 1589600 3995.9610 20602.6082 14543.4143 270.3359 -202815.4042 2326.2044 0.0000 0.0000 52026.9935 -109049.8868 298.9998 -161076.8804 -108687.8940 300.1900 -331.4978 -305.7611 763016.7074 -1.6080 -1.7529 PRESSURE: 1589800 251.182 109.912 156.832 109.911 -82.3895 -11.2141 156.833 -11.2133 75.9369 GPRESSURE: 1589800 274.896 -35.2239 148.624 62.1318 -59.646 -27.3147 24.0811 4.51643 114.744 PRESSAVG: 1589800 65.1999 10.5111 54.2652 10.5111 -47.406 9.90316 54.2652 9.90318 -6.32319 GPRESSAVG: 1589800 64.1591 14.2106 55.0302 9.97785 -47.2423 11.0297 52.894 11.3505 -5.83266 TIMING: 1589800 CPU: 5094.96, 0.00318015/step Wall: 5094.96, 0.00318015/step, 3.01248 hours remaining, 232.410156 MB of memory in use. ENERGY: 1589800 3947.2634 20475.2923 14521.3322 222.1878 -202928.5290 2416.8984 0.0000 0.0000 52300.7616 -109044.7934 300.5732 -161345.5550 -108676.7670 300.2817 81.5763 109.9981 760928.0972 3.8236 3.6947 PRESSURE: 1590000 -335.623 -156.799 -144.046 -156.799 -462.353 0.753177 -144.045 0.752923 14.5248 GPRESSURE: 1590000 -315.516 -222.737 -127.998 -116.716 -406.413 74.3297 49.8737 -84.3333 36.0255 PRESSAVG: 1590000 13.2944 -60.9757 46.0785 -60.9757 -2.36879 -71.8904 46.0785 -71.8905 -37.0983 GPRESSAVG: 1590000 12.2372 -62.9058 45.1568 -61.0524 -0.56104 -71.7947 47.471 -76.474 -37.2532 TIMING: 1590000 CPU: 5095.6, 0.0031725/step Wall: 5095.6, 0.00317251/step, 3.00507 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1590000 3944.3838 20567.0350 14487.0675 239.9394 -202822.4090 2291.1871 0.0000 0.0000 52256.4936 -109036.3025 300.3188 -161292.7961 -108679.0673 300.3404 -261.1507 -228.6345 761119.8780 -8.7242 -8.5257 PRESSURE: 1590200 281.922 -184.09 -74.6821 -184.09 -87.6389 -57.5187 -74.6821 -57.5182 136.492 GPRESSURE: 1590200 269.714 -139.32 -115.544 -121.855 -51.1068 -15.2836 69.855 4.41485 201.85 PRESSAVG: 1590200 -16.0046 -8.90872 41.519 -8.90869 -0.156632 14.5051 41.519 14.505 17.0068 GPRESSAVG: 1590200 -14.8658 -9.10149 42.4044 -8.52383 -1.09203 14.3103 39.7935 17.474 17.3766 TIMING: 1590200 CPU: 5096.24, 0.00318912/step Wall: 5096.24, 0.00318912/step, 3.02063 hours remaining, 232.410156 MB of memory in use. ENERGY: 1590200 4028.5317 20605.9701 14496.2745 241.3089 -203021.0237 2526.4800 0.0000 0.0000 52086.0847 -109036.3738 299.3394 -161122.4585 -108672.1450 300.4300 110.2581 140.1524 762420.1325 0.2819 0.4729 PRESSURE: 1590400 -109.803 107.806 -107.528 107.807 -5.79199 277.387 -107.529 277.388 -156.005 GPRESSURE: 1590400 8.72644 48.8738 -19.8623 117.028 -53.652 222.069 -7.13594 181.717 -130.178 PRESSAVG: 1590400 59.7916 36.6222 9.05832 36.6223 -50.9083 11.7501 9.05827 11.7502 -12.589 GPRESSAVG: 1590400 59.9011 37.7683 9.2411 37.5608 -52.0748 12.0352 10.8134 9.22903 -11.4484 TIMING: 1590400 CPU: 5096.88, 0.00320442/step Wall: 5096.88, 0.00320442/step, 3.03494 hours remaining, 232.410156 MB of memory in use. ENERGY: 1590400 4004.0261 20556.9763 14443.9159 247.6455 -202737.5012 2185.5725 0.0000 0.0000 52321.8445 -108977.5204 300.6944 -161299.3650 -108612.3652 300.4572 -90.5333 -58.3677 760109.1123 -1.2352 -1.2074 PRESSURE: 1590600 105.735 -21.6385 35.9181 -21.6383 -7.88762 89.9151 35.9183 89.9135 -37.2696 GPRESSURE: 1590600 168.615 33.6232 18.1062 84.4642 -54.8458 127.819 -7.44844 47.8631 20.7921 PRESSAVG: 1590600 67.456 -16.1083 12.6807 -16.1083 -55.5767 -42.2447 12.6807 -42.2447 4.52651 GPRESSAVG: 1590600 67.811 -15.9154 11.9229 -17.0548 -54.3923 -43.0381 13.7686 -40.4803 3.66105 TIMING: 1590600 CPU: 5097.51, 0.00318634/step Wall: 5097.51, 0.00318634/step, 3.01764 hours remaining, 232.410156 MB of memory in use. ENERGY: 1590600 3954.4032 20523.6619 14471.8418 253.1946 -202738.4292 2242.8981 0.0000 0.0000 52113.8946 -109178.5349 299.4993 -161292.4295 -108818.4321 300.0666 20.1925 44.8538 760316.1935 5.4686 5.6932 PRESSURE: 1590800 96.8068 173.501 118.438 173.501 -9.17369 -42.7391 118.438 -42.7388 244.44 GPRESSURE: 1590800 165.146 215.205 92.5702 80.1241 71.1951 -80.1028 179.854 -20.4016 192.638 PRESSAVG: 1590800 -4.12268 20.6751 12.933 20.6751 3.08379 -47.4025 12.933 -47.4025 -14.9148 GPRESSAVG: 1590800 -3.41182 19.2278 12.2372 20.5262 3.51984 -45.6845 11.9413 -47.5069 -16.1616 TIMING: 1590800 CPU: 5098.14, 0.00314649/step Wall: 5098.14, 0.00314649/step, 2.97972 hours remaining, 232.410156 MB of memory in use. ENERGY: 1590800 4032.5718 20289.6168 14499.7505 241.9649 -202931.4356 2231.5199 0.0000 0.0000 52104.3397 -109531.6720 299.4444 -161636.0116 -109159.6693 299.2837 110.6909 142.9930 760188.9905 -5.3179 -5.3512 PRESSURE: 1591000 -83.1344 121.359 -94.4671 121.359 -69.9845 62.8332 -94.4672 62.8331 26.0459 GPRESSURE: 1591000 7.21191 161.977 -159.893 17.6991 -45.4238 -1.46601 2.31004 5.1227 14.8513 PRESSAVG: 1591000 78.8196 5.97946 8.20136 5.97948 -78.1389 9.46967 8.20142 9.46972 -17.6169 GPRESSAVG: 1591000 76.8621 5.89369 6.75031 4.68493 -79.1879 6.72848 11.0045 8.26936 -14.8269 TIMING: 1591000 CPU: 5098.77, 0.00315271/step Wall: 5098.77, 0.00315271/step, 2.98544 hours remaining, 232.410156 MB of memory in use. ENERGY: 1591000 3890.3602 20527.2588 14466.8337 226.1890 -203433.4942 2390.0489 0.0000 0.0000 52322.6199 -109610.1839 300.6988 -161932.8038 -109239.7749 299.1457 -42.3576 -7.7869 761054.0114 -5.6454 -5.7176 PRESSURE: 1591200 -6.6598 146.892 -10.8715 146.892 66.1409 155.677 -10.8712 155.676 211.931 GPRESSURE: 1591200 127.832 92.3589 -14.7985 209.22 52.1557 108.193 -5.93253 63.9529 188.034 PRESSAVG: 1591200 49.555 -24.6698 17.6263 -24.6699 -26.0422 4.5335 17.6263 4.53346 1.5913 GPRESSAVG: 1591200 51.1246 -23.3827 20.9328 -23.2169 -25.9159 5.42297 14.1579 6.28392 0.0307576 TIMING: 1591200 CPU: 5099.41, 0.00316383/step Wall: 5099.41, 0.00316383/step, 2.9958 hours remaining, 232.410156 MB of memory in use. ENERGY: 1591200 4004.7991 20565.1570 14467.4338 246.1374 -203176.0254 2378.1835 0.0000 0.0000 52190.3865 -109323.9282 299.9389 -161514.3147 -108956.3575 299.3955 90.4708 122.6741 761233.0435 8.3680 8.4131 PRESSURE: 1591400 -5.0566 -87.9973 82.7878 -87.9976 -192.866 -101.164 82.7879 -101.163 -363.112 GPRESSURE: 1591400 -15.0726 -53.9306 63.6643 -165.932 -130.864 -48.4121 -50.7672 -19.6896 -335.776 PRESSAVG: 1591400 -21.7119 -85.0678 31.1881 -85.0678 27.9616 -23.873 31.1882 -23.873 19.7842 GPRESSAVG: 1591400 -21.0041 -84.6333 30.0569 -85.8952 28.5024 -23.8312 32.3598 -24.4915 19.0659 TIMING: 1591400 CPU: 5100.05, 0.00319941/step Wall: 5100.05, 0.00319941/step, 3.0293 hours remaining, 232.410156 MB of memory in use. ENERGY: 1591400 4032.4406 20703.8144 14511.3552 231.7374 -203236.5609 2289.4745 0.0000 0.0000 52070.0208 -109397.7179 299.2471 -161467.7387 -109038.9680 299.7735 -187.0117 -160.5710 762098.6794 8.6780 8.8547 PRESSURE: 1591600 386.012 -0.689936 11.4723 -0.689922 -241.448 -141.704 11.4721 -141.703 98.9551 GPRESSURE: 1591600 384.127 34.0977 -6.89012 -1.11646 -143.973 -33.7295 54.5499 -191.66 108.883 PRESSAVG: 1591600 27.2624 -17.5042 2.2875 -17.5042 -42.9683 -40.848 2.28753 -40.8479 -3.31067 GPRESSAVG: 1591600 27.1401 -18.454 3.02108 -16.7236 -43.0781 -40.3595 1.94985 -40.5696 -2.99344 TIMING: 1591600 CPU: 5100.68, 0.00316014/step Wall: 5100.68, 0.00316014/step, 2.99195 hours remaining, 232.410156 MB of memory in use. ENERGY: 1591600 4009.1494 20612.3140 14496.4244 241.9503 -203429.4688 2665.2163 0.0000 0.0000 51967.5746 -109436.8399 298.6584 -161404.4145 -109072.0720 299.5539 81.1729 116.3456 760524.3296 -6.3389 -6.3105 PRESSURE: 1591800 -321.755 -125.231 25.4035 -125.231 -110.498 111.915 25.4028 111.916 -253.041 GPRESSURE: 1591800 -300.245 -177.401 -37.7674 -122.608 -102.825 129.229 19.4692 -15.3094 -197.16 PRESSAVG: 1591800 48.2258 -14.8915 31.7522 -14.8915 -57.55 -33.6878 31.7522 -33.6878 -23.4035 GPRESSAVG: 1591800 48.7031 -15.0364 32.2595 -17.5732 -57.9135 -32.3523 31.0827 -33.9697 -23.2677 TIMING: 1591800 CPU: 5101.31, 0.00316396/step Wall: 5101.31, 0.00316396/step, 2.99539 hours remaining, 232.410156 MB of memory in use. ENERGY: 1591800 4063.7333 20500.8327 14487.2658 247.4314 -202979.3283 2002.4039 0.0000 0.0000 52190.7198 -109486.9414 299.9408 -161677.6613 -109125.3581 299.4069 -228.4312 -200.0769 758166.7833 -10.9092 -10.8260 PRESSURE: 1592000 -233.422 -38.7029 252.809 -38.7015 -8.69429 104.476 252.809 104.474 -216.556 GPRESSURE: 1592000 -202.052 15.3291 212.658 -22.4961 1.19555 64.0557 127.874 170.284 -147.938 PRESSAVG: 1592000 86.3593 -27.7362 -1.47053 -27.7362 -52.832 -31.8546 -1.47043 -31.8545 17.2273 GPRESSAVG: 1592000 85.5847 -28.5044 -1.42723 -24.1099 -51.7423 -34.8037 -2.43017 -32.0459 17.2863 TIMING: 1592000 CPU: 5101.94, 0.00316219/step Wall: 5101.94, 0.00316219/step, 2.99354 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1592000 3951.5205 20552.1088 14515.9839 235.3048 -203002.8743 2040.9622 0.0000 0.0000 51971.1721 -109735.8220 298.6790 -161706.9941 -109362.3648 299.1628 -152.8909 -116.2647 759074.4994 16.9182 17.0429 PRESSURE: 1592200 -25.0763 81.3622 -60.9018 81.3634 -550.809 66.8952 -60.9027 66.8941 137.767 GPRESSURE: 1592200 42.1538 19.8205 -35.3541 88.3137 -485.767 64.2457 -17.1046 -48.6369 122.769 PRESSAVG: 1592200 25.6089 4.35126 -53.1937 4.35119 -36.4591 -12.3315 -53.1937 -12.3315 28.2533 GPRESSAVG: 1592200 24.5943 5.30335 -55.8855 1.80492 -36.0118 -11.4065 -50.7668 -10.5278 29.1375 TIMING: 1592200 CPU: 5102.57, 0.00315055/step Wall: 5102.57, 0.00315055/step, 2.98234 hours remaining, 232.410156 MB of memory in use. ENERGY: 1592200 4063.4524 20605.1637 14478.3094 255.8584 -203376.2677 2423.6250 0.0000 0.0000 52022.4113 -109527.4475 298.9735 -161549.8589 -109165.2641 299.6924 -146.0396 -106.9480 760632.1698 5.8010 5.9067 LDB: ============= START OF LOAD BALANCING ============== 5115 LDB: ============== END OF LOAD BALANCING =============== 5115 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5115 LDB: ============= START OF LOAD BALANCING ============== 5115.32 LDB: Largest compute 7031 load 0.035675 is 18.3% of average load 0.195349 LDB: Average compute 0.004397 is 2.3% of average load 0.195349 LDB: TIME 5115.32 LOAD: AVG 0.195349 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.305 MB LDB: TIME 5115.32 LOAD: AVG 0.195349 MAX 0.213752 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.309 MB LDB: TIME 5115.32 LOAD: AVG 0.195349 MAX 0.213752 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.309 MB LDB: ============== END OF LOAD BALANCING =============== 5115.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5115.33 PRESSURE: 1592400 -93.1165 78.5978 -38.2898 78.5979 92.7042 113.772 -38.2892 113.772 49.1891 GPRESSURE: 1592400 -58.0844 14.0766 1.21989 19.8647 84.862 100.048 -39.9139 81.7485 134.218 PRESSAVG: 1592400 34.3282 6.3013 6.61837 6.30129 -19.63 -6.67476 6.61834 -6.67479 10.9024 GPRESSAVG: 1592400 35.4689 6.8807 7.96224 6.41296 -20.6843 -6.29945 6.58192 -8.37948 10.3089 TIMING: 1592400 CPU: 5103.22, 0.00323755/step Wall: 5103.22, 0.00323755/step, 3.06452 hours remaining, 231.042969 MB of memory in use. ENERGY: 1592400 4017.7480 20677.5378 14577.1422 245.6012 -203492.0547 2475.3180 0.0000 0.0000 52035.9925 -109462.7149 299.0516 -161498.7073 -109098.9506 299.3801 16.2589 53.6654 758858.3163 8.5335 8.3645 PRESSURE: 1592600 -5.75917 -158.41 -108.713 -158.411 -9.34476 34.7544 -108.712 34.7556 -261.082 GPRESSURE: 1592600 99.7693 -120.092 -67.9189 -201.576 -67.3542 97.5814 -151.495 -1.47389 -217.264 PRESSAVG: 1592600 17.5273 -27.2102 -23.2557 -27.2102 -40 -37.5247 -23.2557 -37.5248 -10.2714 GPRESSAVG: 1592600 18.0326 -27.6319 -23.123 -26.3198 -40.6173 -39.0252 -24.9812 -35.9651 -9.92165 TIMING: 1592600 CPU: 5103.85, 0.00313214/step Wall: 5103.85, 0.00313214/step, 2.96457 hours remaining, 231.042969 MB of memory in use. ENERGY: 1592600 3951.4567 20617.7840 14455.3315 264.4231 -203504.9849 2440.8131 0.0000 0.0000 52421.4936 -109353.6828 301.2670 -161775.1764 -108995.3478 299.5532 -92.0618 -61.6162 759083.9634 -10.9147 -10.8355 PRESSURE: 1592800 -135.426 -139.031 -5.71848 -139.031 189.747 -28.453 -5.71827 -28.4537 -40.4065 GPRESSURE: 1592800 -88.584 -211.566 -72.9296 -247.957 196.259 -14.1704 -52.8396 56.6212 1.1885 PRESSAVG: 1592800 16.9833 -36.5414 -9.29595 -36.5414 -11.7362 -3.04155 -9.29595 -3.04157 -15.9452 GPRESSAVG: 1592800 15.9523 -36.5256 -9.98435 -36.169 -9.95275 -1.83091 -7.73933 -2.92287 -16.5176 TIMING: 1592800 CPU: 5104.48, 0.00317304/step Wall: 5104.48, 0.00317304/step, 3.0031 hours remaining, 231.042969 MB of memory in use. ENERGY: 1592800 4057.2357 20640.6279 14405.3964 235.2214 -203389.6055 2406.9785 0.0000 0.0000 52080.3128 -109563.8327 299.3063 -161644.1455 -109198.6261 299.5934 4.6383 36.2877 760530.9938 -3.5660 -3.5060 PRESSURE: 1593000 138.917 -144.633 38.0842 -144.632 60.1575 42.5939 38.0844 42.5947 -47.2575 GPRESSURE: 1593000 148.431 -170.467 84.4954 -153.054 36.8423 -11.743 41.0789 141.911 40.5191 PRESSAVG: 1593000 -4.84177 -75.4182 11.6324 -75.4182 42.1755 -24.4676 11.6324 -24.4675 -10.4676 GPRESSAVG: 1593000 -4.54147 -75.0772 11.1876 -76.4784 42.4171 -23.6711 10.8322 -26.1651 -11.0476 TIMING: 1593000 CPU: 5105.12, 0.00316569/step Wall: 5105.12, 0.00316569/step, 2.99597 hours remaining, 231.042969 MB of memory in use. ENERGY: 1593000 4035.4401 20758.8286 14413.5422 234.7040 -203697.5959 2396.9521 0.0000 0.0000 52225.6827 -109632.4462 300.1417 -161858.1289 -109276.9180 299.3094 50.6058 75.2641 760040.7874 8.9554 8.9427 PRESSURE: 1593200 -327.487 -187.89 -16.2441 -187.889 -5.11914 -127.534 -16.2439 -127.532 227.556 GPRESSURE: 1593200 -170.582 -131.28 28.2383 -105.139 -73.0358 -133.454 7.93966 -20.237 226.968 PRESSAVG: 1593200 1.72258 -53.0705 58.7797 -53.0705 -24.4909 -17.3299 58.7796 -17.3299 13.7837 GPRESSAVG: 1593200 3.09696 -52.2818 60.1173 -52.4121 -26.3749 -15.5444 58.8351 -16.8694 14.0977 TIMING: 1593200 CPU: 5105.75, 0.0031616/step Wall: 5105.75, 0.0031616/step, 2.99192 hours remaining, 231.042969 MB of memory in use. ENERGY: 1593200 3902.6863 20696.3719 14485.1371 258.2893 -203517.9734 2387.9528 0.0000 0.0000 52027.2481 -109760.2879 299.0013 -161787.5360 -109394.6504 299.1511 -35.0168 -5.5499 760778.8596 -2.9949 -3.0601 PRESSURE: 1593400 20.8219 -153.626 -36.0721 -153.626 -78.989 73.5104 -36.0721 73.5099 -640.839 GPRESSURE: 1593400 7.62005 -135.268 -150.696 -214.269 -65.9557 139.32 -12.6189 44.7481 -556.782 PRESSAVG: 1593400 28.3944 -63.836 42.4051 -63.836 -5.6513 2.13379 42.4051 2.13374 10.175 GPRESSAVG: 1593400 28.1047 -65.2639 40.7635 -63.7943 -5.16509 0.510931 42.1699 1.49788 10.5483 TIMING: 1593400 CPU: 5106.38, 0.00317148/step Wall: 5106.38, 0.00317148/step, 3.0011 hours remaining, 231.042969 MB of memory in use. ENERGY: 1593400 3960.7132 20540.1009 14408.4051 236.8465 -203561.0369 2477.4196 0.0000 0.0000 52055.7744 -109881.7773 299.1653 -161937.5517 -109513.7181 298.7483 -233.0020 -205.0393 759778.8706 10.9727 11.1626 PRESSURE: 1593600 -11.2488 -186.045 136.276 -186.045 -5.0286 -66.3674 136.276 -66.3674 227.174 GPRESSURE: 1593600 10.9701 -166.302 140.149 -292.62 84.3247 40.929 133.973 -141.498 220.461 PRESSAVG: 1593600 -0.659793 -95.7607 53.3178 -95.7608 25.3844 15.3132 53.3177 15.3132 -6.54727 GPRESSAVG: 1593600 -0.934824 -93.9873 53.946 -98.1609 26.0568 15.3294 52.2132 14.8987 -6.94584 TIMING: 1593600 CPU: 5107.02, 0.00319607/step Wall: 5107.02, 0.00319607/step, 3.02419 hours remaining, 231.042969 MB of memory in use. ENERGY: 1593600 3975.5293 20702.1543 14379.5933 261.7781 -203361.0011 2396.4693 0.0000 0.0000 52006.9712 -109638.5056 298.8848 -161645.4768 -109274.8595 299.0824 70.2987 105.2521 759418.8031 6.0591 6.0587 PRESSURE: 1593800 -64.4217 28.2663 -2.29472 28.2665 588.881 214.473 -2.29572 214.474 334.717 GPRESSURE: 1593800 60.9236 92.5667 -44.1605 85.9549 612.471 111.36 -7.37399 166.638 279.188 PRESSAVG: 1593800 2.7968 3.17796 53.8524 3.17796 12.981 -18.3612 53.8524 -18.3613 -6.21347 GPRESSAVG: 1593800 2.1264 3.73201 53.4476 4.33032 12.8882 -17.0258 55.1921 -18.6846 -5.9562 TIMING: 1593800 CPU: 5107.65, 0.00315749/step Wall: 5107.65, 0.0031575/step, 2.98752 hours remaining, 231.042969 MB of memory in use. ENERGY: 1593800 3923.8920 20682.6045 14464.1399 245.0400 -203871.2376 2722.8332 0.0000 0.0000 51927.1934 -109905.5346 298.4263 -161832.7280 -109539.7774 299.0975 286.3921 317.5274 758884.5487 3.1881 3.0195 PRESSURE: 1594000 -18.0046 201.294 215.26 201.293 -122.893 18.2314 215.261 18.2318 -67.0789 GPRESSURE: 1594000 -49.5857 145.69 241.673 295.894 -50.5288 -87.05 129.918 75.4169 -8.05461 PRESSAVG: 1594000 2.38617 16.0139 47.3809 16.0139 0.856635 -15.7798 47.3809 -15.7799 -2.43542 GPRESSAVG: 1594000 2.55296 12.1541 48.5197 19.5785 0.449237 -18.1331 48.7752 -12.9455 -2.78641 TIMING: 1594000 CPU: 5108.29, 0.00316565/step Wall: 5108.29, 0.00316565/step, 2.99506 hours remaining, 231.042969 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: 1594000 4014.8170 20635.5675 14453.8932 244.2384 -203604.5266 2316.0289 0.0000 0.0000 51962.4724 -109977.5091 298.6290 -161939.9815 -109605.1322 299.0450 -69.3254 -36.0564 759664.5438 0.2691 0.0719 PRESSURE: 1594200 13.1342 83.7604 71.6045 83.7608 162.105 -165.071 71.6049 -165.072 -186.715 GPRESSURE: 1594200 9.75052 180.477 26.113 114.688 168.076 -87.6089 115.35 -119.603 -124.013 PRESSAVG: 1594200 -32.6661 -8.97713 57.7261 -8.97714 33.4761 21.0881 57.7261 21.0882 -8.4692 GPRESSAVG: 1594200 -32.1876 -8.68622 57.9771 -11.6236 33.6664 22.5624 56.8575 20.0491 -9.02495 TIMING: 1594200 CPU: 5108.91, 0.0031392/step Wall: 5108.91, 0.0031392/step, 2.96986 hours remaining, 231.042969 MB of memory in use. ENERGY: 1594200 3958.8636 20684.7146 14477.8699 238.8441 -203585.8786 2428.0384 0.0000 0.0000 51877.1862 -109920.3617 298.1389 -161797.5479 -109552.9614 298.6686 -3.8253 17.9381 758520.4782 -2.5531 -2.5154 PRESSURE: 1594400 -38.7498 -74.3302 -46.2126 -74.3304 142.126 -140.592 -46.2122 -140.59 298.706 GPRESSURE: 1594400 89.3047 -45.0049 -41.0554 -0.0732963 161.341 -192.081 69.6052 -122.402 238.073 PRESSAVG: 1594400 4.77096 -54.3184 81.2352 -54.3184 -0.239247 4.3827 81.2352 4.3826 4.5156 GPRESSAVG: 1594400 5.51147 -52.8749 80.8594 -54.2395 -0.370633 2.5661 79.1727 3.89979 4.18757 TIMING: 1594400 CPU: 5109.55, 0.00318573/step Wall: 5109.55, 0.00318573/step, 3.0137 hours remaining, 231.042969 MB of memory in use. ENERGY: 1594400 3960.5561 20717.9357 14420.4117 248.4822 -204017.3146 2860.4254 0.0000 0.0000 51666.3849 -110143.1186 296.9274 -161809.5035 -109786.7700 298.5116 134.0277 162.9064 759345.4412 3.0158 3.1095 PRESSURE: 1594600 -229.304 32.9703 -161.806 32.9704 271.465 -27.692 -161.806 -27.692 -51.2702 GPRESSURE: 1594600 -151.362 27.4132 -246.844 22.9552 260.043 68.7767 -38.0208 23.5129 -13.1455 PRESSAVG: 1594600 -74.7796 -22.7935 4.29222 -22.7935 61.8014 24.1427 4.29223 24.1427 -8.2093 GPRESSAVG: 1594600 -75.3476 -23.0182 4.98245 -21.9421 62.4745 24.176 5.05587 23.9624 -8.16819 TIMING: 1594600 CPU: 5110.2, 0.00322311/step Wall: 5110.2, 0.00322311/step, 3.04889 hours remaining, 231.042969 MB of memory in use. ENERGY: 1594600 4037.7160 20482.0083 14495.9586 246.8593 -204195.0682 2793.2903 0.0000 0.0000 51991.0289 -110148.2068 298.7932 -162139.2357 -109796.7510 298.1427 -3.0364 31.8449 758497.5400 -7.0625 -7.0138 PRESSURE: 1594800 -242.566 139.709 4.25034 139.71 -393.251 -520.218 4.2498 -520.217 121.59 GPRESSURE: 1594800 -195.916 85.7929 -25.6982 186.603 -317.187 -526.299 61.7342 -402.402 86.7503 PRESSAVG: 1594800 -45.9222 -49.2401 -23.0185 -49.2401 11.1952 12.5375 -23.0185 12.5375 14.6494 GPRESSAVG: 1594800 -44.9782 -49.6236 -22.7476 -49.0226 9.73271 14.232 -20.3415 12.2158 14.8615 TIMING: 1594800 CPU: 5110.84, 0.00321631/step Wall: 5110.84, 0.00321631/step, 3.04227 hours remaining, 231.042969 MB of memory in use. ENERGY: 1594800 3907.2077 20561.2181 14395.8086 251.1513 -203561.0115 2608.8332 0.0000 0.0000 51983.9965 -109852.7961 298.7527 -161836.7926 -109480.7436 298.3794 -171.4090 -142.1177 761435.8747 -6.6925 -6.7946 PRESSURE: 1595000 -96.3716 -154.798 -162.934 -154.798 50.5258 111.663 -162.935 111.664 -400.625 GPRESSURE: 1595000 -129.211 -120.672 -144.447 -227.885 115.531 147.84 -144.826 -43.3971 -364.781 PRESSAVG: 1595000 -19.9125 -18.5222 -30.2064 -18.5222 54.9258 10.574 -30.2064 10.574 8.34237 GPRESSAVG: 1595000 -21.5522 -17.7387 -31.3088 -19.4856 56.2789 9.87746 -30.7836 9.14889 8.33619 TIMING: 1595000 CPU: 5111.49, 0.00324335/step Wall: 5111.49, 0.00324335/step, 3.06767 hours remaining, 231.042969 MB of memory in use. ENERGY: 1595000 3875.8365 20590.5070 14434.0757 242.9289 -203638.9302 2574.7440 0.0000 0.0000 52129.0783 -109791.7598 299.5865 -161920.8381 -109426.0212 298.9153 -148.8237 -126.1535 760983.7596 14.4519 14.3543 PRESSURE: 1595200 199.781 181.08 102.147 181.081 109.097 32.2098 102.147 32.2094 332.44 GPRESSURE: 1595200 211.627 101.952 101.521 153.611 163.204 64.8518 138.194 20.0497 328.231 PRESSAVG: 1595200 24.0572 -28.668 -46.9345 -28.668 9.38423 25.9196 -46.9345 25.9196 13.3439 GPRESSAVG: 1595200 22.9889 -29.1128 -46.5293 -27.8502 9.12034 25.691 -46.9525 25.3878 14.6002 TIMING: 1595200 CPU: 5112.13, 0.00322293/step Wall: 5112.13, 0.00322293/step, 3.04818 hours remaining, 231.042969 MB of memory in use. ENERGY: 1595200 3972.1655 20524.8126 14502.1002 250.7352 -204082.8440 2773.6882 0.0000 0.0000 52019.6448 -110039.6974 298.9576 -162059.3422 -109669.4527 298.9881 213.7725 234.3540 758658.1874 15.5951 15.5698 PRESSURE: 1595400 -157.28 108.854 -18.6118 108.856 -213.722 -156.014 -18.6116 -156.015 -443.583 GPRESSURE: 1595400 -68.2935 72.3789 -19.0506 98.5298 -213.182 -81.052 53.5652 -116.964 -452.595 PRESSAVG: 1595400 5.69887 -30.4004 -26.2539 -30.4005 -30.6173 -4.78309 -26.2539 -4.78308 -9.30626 GPRESSAVG: 1595400 7.39558 -30.708 -26.7831 -28.4873 -31.3925 -4.41399 -25.7189 -3.52521 -9.97593 TIMING: 1595400 CPU: 5112.78, 0.00322022/step Wall: 5112.78, 0.00322022/step, 3.04543 hours remaining, 231.042969 MB of memory in use. ENERGY: 1595400 4031.7034 20458.9962 14484.1266 252.4906 -203613.6606 2404.6052 0.0000 0.0000 51966.6941 -110015.0445 298.6533 -161981.7385 -109648.2978 298.2141 -271.5282 -244.6903 761080.6124 -11.4082 -11.3243 PRESSURE: 1595600 -13.0475 77.4972 45.3975 77.4974 -200.251 208.162 45.3972 208.161 65.5931 GPRESSURE: 1595600 -73.1715 153.293 67.2872 25.0028 -113.928 161.26 -33.1951 45.6976 151.981 PRESSAVG: 1595600 12.9704 30.5255 60.182 30.5256 -10.8438 22.6683 60.182 22.6683 7.27052 GPRESSAVG: 1595600 12.5914 32.2412 62.3338 28.3284 -10.0394 24.0766 58.2247 22.3364 7.56588 TIMING: 1595600 CPU: 5113.41, 0.00317679/step Wall: 5113.41, 0.00317679/step, 3.00419 hours remaining, 231.042969 MB of memory in use. ENERGY: 1595600 3910.3602 20842.2818 14449.5200 239.6339 -203876.8933 2699.8371 0.0000 0.0000 51742.8528 -109992.4075 297.3669 -161735.2603 -109637.0237 298.8586 -49.2351 -11.7060 759328.4536 3.1324 3.3726 PRESSURE: 1595800 -194.863 103.165 -119.86 103.164 -101.918 251.656 -119.86 251.656 688.152 GPRESSURE: 1595800 -112.118 109.987 -103.387 -13.5833 -105.378 237.174 -212.691 185.239 698.563 PRESSAVG: 1595800 18.1728 -48.5991 12.7957 -48.5991 -21.7818 47.608 12.7957 47.6079 20.3882 GPRESSAVG: 1595800 18.4883 -49.6079 11.1253 -48.7038 -22.5926 45.259 14.1196 48.8882 20.8087 TIMING: 1595800 CPU: 5114.05, 0.00319508/step Wall: 5114.05, 0.00319508/step, 3.02131 hours remaining, 231.042969 MB of memory in use. ENERGY: 1595800 4015.7712 20484.3916 14484.4950 240.8993 -203490.2735 2284.8282 0.0000 0.0000 52148.2164 -109831.6720 299.6965 -161979.8883 -109460.2038 298.8423 130.4574 160.3556 761043.8223 5.5931 5.5682 PRESSURE: 1596000 108.976 127.165 165.365 127.167 35.0313 -66.0767 165.364 -66.0756 265.747 GPRESSURE: 1596000 130.55 72.024 144.257 66.8656 100.415 -74.9847 227.847 40.3988 266.366 PRESSAVG: 1596000 66.2268 -15.1967 6.10656 -15.1967 -57.408 21.3908 6.10658 21.3908 7.50026 GPRESSAVG: 1596000 65.536 -17.2964 4.87132 -15.3826 -56.5444 21.7136 7.05642 19.4241 7.59773 TIMING: 1596000 CPU: 5114.69, 0.00317158/step Wall: 5114.69, 0.00317158/step, 2.99891 hours remaining, 231.042969 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: 1596000 4017.6948 20646.5147 14497.5015 241.4008 -203675.1059 2754.2171 0.0000 0.0000 52047.5175 -109470.2595 299.1178 -161517.7770 -109109.2236 299.0645 136.5847 165.7770 759715.3185 5.4397 5.5298 PRESSURE: 1596200 12.1838 -17.5757 0.380229 -17.5755 31.4352 -18.0858 0.381222 -18.0854 -227.187 GPRESSURE: 1596200 -104.551 27.3004 111.815 46.004 176.405 -8.11883 -136.399 -172.891 -164.815 PRESSAVG: 1596200 33.9078 -41.0809 36.8594 -41.0809 2.20128 -11.0619 36.8595 -11.062 15.2041 GPRESSAVG: 1596200 34.7829 -38.3485 37.9997 -40.029 2.31601 -9.90979 35.8124 -10.2057 14.6745 TIMING: 1596200 CPU: 5115.32, 0.00317573/step Wall: 5115.32, 0.00317574/step, 3.00266 hours remaining, 231.042969 MB of memory in use. ENERGY: 1596200 4021.3737 20397.9219 14467.2793 240.5736 -203125.4570 2326.4563 0.0000 0.0000 51978.0874 -109693.7649 298.7188 -161671.8523 -109325.0288 299.2985 -61.1894 -30.9872 760973.0146 17.1044 17.2578 LDB: ============= START OF LOAD BALANCING ============== 5127.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5127.74 LDB: =============== DONE WITH MIGRATION ================ 5127.74 LDB: ============= START OF LOAD BALANCING ============== 5128.06 LDB: Largest compute 7034 load 0.033840 is 17.3% of average load 0.195382 LDB: Average compute 0.004406 is 2.3% of average load 0.195382 LDB: TIME 5128.07 LOAD: AVG 0.195382 MAX 0.211505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.301 MB LDB: TIME 5128.07 LOAD: AVG 0.195382 MAX 0.211505 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.508 MB LDB: TIME 5128.07 LOAD: AVG 0.195382 MAX 0.211505 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.508 MB LDB: ============== END OF LOAD BALANCING =============== 5128.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5128.07 PRESSURE: 1596400 55.0357 58.4437 -76.1684 58.4449 -110.911 138.156 -76.169 138.157 -104.835 GPRESSURE: 1596400 8.10181 -15.4888 -64.3078 18.0867 42.9013 120.814 -164.402 60.2762 -118.85 PRESSAVG: 1596400 48.6897 -8.74986 25.5755 -8.74982 -73.328 -1.07854 25.5755 -1.07852 -16.9569 GPRESSAVG: 1596400 47.3219 -7.93315 26.2606 -10.0242 -72.757 -1.51731 24.4964 -0.710768 -15.8746 TIMING: 1596400 CPU: 5115.97, 0.00324188/step Wall: 5115.97, 0.00324188/step, 3.06502 hours remaining, 231.175781 MB of memory in use. ENERGY: 1596400 4013.6278 20541.0419 14460.3440 258.7048 -203495.7304 2538.8492 0.0000 0.0000 51814.6666 -109868.4960 297.7796 -161683.1627 -109506.2940 298.7599 -53.5701 -22.6158 758651.6968 -13.8651 -13.7699 PRESSURE: 1596600 237.184 -60.6358 46.2943 -60.6362 -94.0929 401.704 46.2949 401.705 152.925 GPRESSURE: 1596600 276.399 -16.8729 68.7607 -64.9738 -22.7908 377.572 183.686 380.754 105.674 PRESSAVG: 1596600 0.669197 -0.73257 61.1292 -0.732552 13.8698 58.3276 61.1292 58.3276 9.65119 GPRESSAVG: 1596600 1.50697 -4.22859 62.378 1.4431 14.0561 57.5968 61.8759 58.9038 8.12032 TIMING: 1596600 CPU: 5116.6, 0.00316299/step Wall: 5116.6, 0.00316299/step, 2.99026 hours remaining, 231.378906 MB of memory in use. ENERGY: 1596600 3904.7324 20575.2440 14493.0885 248.2010 -203658.1593 2632.1094 0.0000 0.0000 51911.2801 -109893.5040 298.3348 -161804.7841 -109533.3847 298.7572 98.6719 119.7608 759706.1280 8.0634 7.8945 PRESSURE: 1596800 -197.774 -81.5994 10.9504 -81.5992 20.6487 -144.511 10.9503 -144.51 270.726 GPRESSURE: 1596800 -101.298 74.716 -11.16 -156.65 -35.5034 -91.9523 -55.8391 -155.756 315.587 PRESSAVG: 1596800 7.52888 27.38 -17.9152 27.3801 -57.7126 -16.5316 -17.9152 -16.5315 12.8062 GPRESSAVG: 1596800 7.63358 29.6705 -19.3753 24.5039 -58.9406 -17.4387 -16.3057 -17.4315 13.8232 TIMING: 1596800 CPU: 5117.23, 0.00315716/step Wall: 5117.23, 0.00315716/step, 2.98457 hours remaining, 231.378906 MB of memory in use. ENERGY: 1596800 3977.6396 20551.1179 14440.7925 250.2313 -203265.1406 2344.6766 0.0000 0.0000 51975.5160 -109725.1668 298.7040 -161700.6828 -109381.1160 298.7539 31.2002 59.5951 759231.0825 -12.4592 -12.4946 PRESSURE: 1597000 543.734 124.945 -378.859 124.946 47.8515 -187.637 -378.859 -187.637 31.4292 GPRESSURE: 1597000 466.773 130.36 -374.491 90.6712 165.984 -181.867 -349.677 -137.78 76.9763 PRESSAVG: 1597000 -32.4103 -61.8311 -23.4743 -61.831 24.3642 -42.5055 -23.4743 -42.5055 6.17368 GPRESSAVG: 1597000 -32.4413 -63.0001 -23.1197 -60.8464 24.6548 -41.7632 -24.4706 -41.7662 6.17207 TIMING: 1597000 CPU: 5117.87, 0.00317159/step Wall: 5117.87, 0.00317159/step, 2.99803 hours remaining, 231.378906 MB of memory in use. ENERGY: 1597000 4003.9480 20481.7454 14434.3071 231.0219 -203209.4654 2277.8897 0.0000 0.0000 51943.6393 -109836.9140 298.5208 -161780.5532 -109466.7244 298.4532 207.6714 236.5776 759206.2516 -0.6241 -0.5382 PRESSURE: 1597200 -177.202 -349.615 89.6854 -349.616 186.71 218.239 89.6853 218.24 -36.0923 GPRESSURE: 1597200 -114.723 -351.579 123.869 -324.069 158.426 187.088 54.1412 249.471 12.8589 PRESSAVG: 1597200 24.24 -33.239 -26.6016 -33.239 -6.11308 -54.9123 -26.6016 -54.9123 -11.83 GPRESSAVG: 1597200 23.849 -31.4423 -24.3018 -33.7849 -5.98545 -54.4816 -26.4652 -56.416 -12.0994 TIMING: 1597200 CPU: 5118.5, 0.00314949/step Wall: 5118.5, 0.00314949/step, 2.97697 hours remaining, 231.378906 MB of memory in use. ENERGY: 1597200 4030.3267 20417.5196 14502.4844 269.7937 -203201.0836 2332.0926 0.0000 0.0000 51851.3680 -109797.4987 297.9905 -161648.8666 -109429.2448 298.6976 -8.8612 18.8542 758650.8274 2.0990 1.9214 PRESSURE: 1597400 196.613 135.336 -76.8319 135.335 -101.499 -368.154 -76.8325 -368.153 248.031 GPRESSURE: 1597400 193.75 83.65 -21.1958 130.048 -25.8349 -370.87 -26.1097 -391.933 254.06 PRESSAVG: 1597400 -6.31566 -23.6028 -24.8482 -23.6028 -15.621 -31.9791 -24.8482 -31.9792 9.01515 GPRESSAVG: 1597400 -5.98371 -23.3856 -27.217 -22.2052 -16.2462 -31.9101 -22.9808 -31.4813 8.96455 TIMING: 1597400 CPU: 5119.13, 0.00315124/step Wall: 5119.13, 0.00315124/step, 2.97845 hours remaining, 231.378906 MB of memory in use. ENERGY: 1597400 4036.6371 20545.6962 14444.6998 233.4002 -203727.9539 2715.0197 0.0000 0.0000 51958.2954 -109794.2055 298.6050 -161752.5010 -109433.6167 298.2672 114.3815 140.6584 760917.7364 -4.3072 -4.4218 PRESSURE: 1597600 -14.3278 -115.803 221.252 -115.803 9.51736 -104.582 221.252 -104.582 -205.864 GPRESSURE: 1597600 -71.4096 -112.061 233.02 -2.39786 62.2577 -152.927 188.138 -45.6836 -103.954 PRESSAVG: 1597600 19.591 -16.36 -7.776 -16.36 18.632 3.11375 -7.77596 3.11383 -6.4031 GPRESSAVG: 1597600 20.6225 -16.2006 -9.03559 -17.1718 18.757 2.77125 -8.40285 2.56613 -7.0466 TIMING: 1597600 CPU: 5119.76, 0.00317507/step Wall: 5119.76, 0.00317507/step, 3.0008 hours remaining, 231.378906 MB of memory in use. ENERGY: 1597600 4006.6825 20593.9732 14422.9320 229.8869 -203589.6997 2436.8262 0.0000 0.0000 52259.8321 -109639.5667 300.3380 -161899.3989 -109278.7392 298.8448 -70.2247 -37.7020 759159.6825 10.6067 10.7776 PRESSURE: 1597800 -287.416 -75.7563 -47.515 -75.7562 -6.22522 -27.4122 -47.5141 -27.4121 109.321 GPRESSURE: 1597800 -204.005 -136.405 -85.5479 -35.9187 -15.1615 -46.6742 -189.748 67.0058 123.751 PRESSAVG: 1597800 -6.14481 -23.6563 -52.987 -23.6564 -34.6696 9.7711 -52.987 9.77117 -15.4141 GPRESSAVG: 1597800 -6.0561 -24.6681 -52.1974 -24.2847 -34.4581 10.7377 -52.0326 9.37758 -15.9318 TIMING: 1597800 CPU: 5120.39, 0.00314187/step Wall: 5120.39, 0.00314187/step, 2.96924 hours remaining, 231.378906 MB of memory in use. ENERGY: 1597800 3990.0131 20514.4822 14461.7760 230.1089 -203153.8387 2353.8980 0.0000 0.0000 51950.1877 -109653.3728 298.5584 -161603.5606 -109300.7743 298.9987 -61.4402 -31.8052 760762.8892 -18.7428 -18.8153 PRESSURE: 1598000 -31.7716 -181.304 -73.0111 -181.304 -541.864 -66.6344 -73.0114 -66.6337 -386.219 GPRESSURE: 1598000 -80.2094 -194.073 -16.5607 -197.084 -406.569 -179.168 -135.017 -13.6994 -392.036 PRESSAVG: 1598000 17.6441 -25.9098 -68.4804 -25.9098 -14.6738 4.59203 -68.4804 4.59205 -1.16961 GPRESSAVG: 1598000 16.0464 -25.9161 -68.4785 -26.3645 -14.4849 2.85942 -68.8413 5.91823 -0.182896 TIMING: 1598000 CPU: 5121.02, 0.00314882/step Wall: 5121.02, 0.00314882/step, 2.97564 hours remaining, 231.378906 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: 1598000 4007.1699 20405.5866 14490.7822 262.2033 -203258.1192 2279.5391 0.0000 0.0000 52112.8022 -109700.0359 299.4930 -161812.8381 -109335.0319 299.0498 -319.9515 -292.9381 761185.6991 0.6002 0.4595 PRESSURE: 1598200 213.116 90.1932 58.9981 90.1939 28.763 -25.9065 58.998 -25.9074 39.7646 GPRESSURE: 1598200 248.335 110.862 -21.075 180.5 17.3111 4.10391 -57.085 -18.5948 107.589 PRESSAVG: 1598200 -20.2382 -12.1733 -2.17413 -12.1733 -5.72613 40.3258 -2.17411 40.3258 -14.8738 GPRESSAVG: 1598200 -20.2232 -11.2726 -1.02908 -12.2727 -5.87025 40.4437 -3.70011 40.9194 -14.8523 TIMING: 1598200 CPU: 5121.65, 0.00316386/step Wall: 5121.65, 0.00316386/step, 2.98967 hours remaining, 231.378906 MB of memory in use. ENERGY: 1598200 3978.4934 20413.8924 14447.7377 243.6827 -203198.9908 2372.8969 0.0000 0.0000 51988.4251 -109753.8627 298.7782 -161742.2877 -109385.5150 299.2906 93.8811 124.4120 760729.5918 -13.6127 -13.6486 PRESSURE: 1598400 66.6767 110.506 -320.554 110.506 -263.114 6.77806 -320.555 6.77905 246.215 GPRESSURE: 1598400 168.736 125.635 -239.46 6.76643 -288.12 25.9722 -283.523 43.3115 244.256 PRESSAVG: 1598400 44.624 -3.96268 43.0002 -3.96266 9.86872 12.2065 43.0002 12.2066 -1.82731 GPRESSAVG: 1598400 45.3694 -1.01704 42.9173 -5.49532 10.2559 12.8719 43.4542 13.6696 -2.80358 TIMING: 1598400 CPU: 5122.28, 0.0031547/step Wall: 5122.28, 0.0031547/step, 2.98084 hours remaining, 231.378906 MB of memory in use. ENERGY: 1598400 3915.8323 20459.3836 14479.3633 230.3756 -203549.4799 2556.8950 0.0000 0.0000 52196.7663 -109710.8638 299.9755 -161907.6301 -109349.1080 299.2296 16.5925 41.6238 761271.3525 17.5552 17.6072 PRESSURE: 1598600 -182.843 102.374 -109.596 102.374 14.6966 -225.177 -109.595 -225.177 -71.4309 GPRESSURE: 1598600 -122.104 116.556 -27.1223 35.5042 42.7033 -310.583 -72.7806 -152.156 -74.8638 PRESSAVG: 1598600 -28.4581 -92.5877 11.0691 -92.5876 28.9196 -1.16033 11.0691 -1.16048 2.04197 GPRESSAVG: 1598600 -28.238 -95.8775 11.8728 -88.8515 28.1938 -0.356144 11.5505 -4.74178 2.67739 TIMING: 1598600 CPU: 5122.92, 0.00318573/step Wall: 5122.92, 0.00318573/step, 3.00998 hours remaining, 231.378906 MB of memory in use. ENERGY: 1598600 3964.3973 20474.9458 14480.1235 243.5181 -202991.0066 2215.1705 0.0000 0.0000 52131.6080 -109481.2434 299.6011 -161612.8513 -109113.1253 298.7869 -79.8590 -51.4215 761355.7142 0.8345 0.8777 PRESSURE: 1598800 -89.195 57.8121 22.6556 57.8113 -268.461 17.4985 22.6555 17.4998 -121.631 GPRESSURE: 1598800 -80.3149 60.8478 4.38588 -47.2332 -288.603 83.4679 0.172245 26.1887 -14.289 PRESSAVG: 1598800 -25.6423 4.5895 -26.2667 4.58949 5.99082 15.7768 -26.2667 15.7768 0.198424 GPRESSAVG: 1598800 -26.5143 5.04718 -28.2481 3.1003 6.65296 16.8074 -27.2707 17.9319 0.435237 TIMING: 1598800 CPU: 5123.55, 0.00315845/step Wall: 5123.55, 0.00315845/step, 2.98403 hours remaining, 231.378906 MB of memory in use. ENERGY: 1598800 3969.6249 20578.3934 14402.8294 253.7456 -203146.6176 2417.2769 0.0000 0.0000 52043.6843 -109481.0632 299.0958 -161524.7475 -109123.1126 299.2855 -159.7623 -127.7358 761012.6048 -6.4844 -6.4754 PRESSURE: 1599000 -466.401 25.4043 196.189 25.4048 -225.214 16.3461 196.189 16.3457 171.056 GPRESSURE: 1599000 -468.006 86.1742 175.197 -19.4345 -119.946 38.4104 83.2282 -165.859 168.234 PRESSAVG: 1599000 17.3427 2.00071 -6.87492 2.00076 -38.7801 27.3023 -6.87494 27.3023 9.11376 GPRESSAVG: 1599000 17.0351 1.82957 -6.11911 2.25816 -38.3049 25.6531 -6.39267 25.5264 9.00953 TIMING: 1599000 CPU: 5124.19, 0.00316242/step Wall: 5124.19, 0.00316242/step, 2.98761 hours remaining, 231.378906 MB of memory in use. ENERGY: 1599000 4017.2197 20523.0350 14553.8992 258.6094 -203304.7743 2492.3637 0.0000 0.0000 52142.2203 -109317.4269 299.6621 -161459.6472 -108964.7292 299.1772 -173.5197 -139.9060 760358.9571 -4.1079 -4.0867 PRESSURE: 1599200 -115.561 -96.3653 -15.6173 -96.3658 -193.024 104.494 -15.6179 104.494 -64.7187 GPRESSURE: 1599200 -117.111 -166.459 -114.009 -120.275 -68.3112 83.6085 80.7148 77.2151 -109.889 PRESSAVG: 1599200 30.8317 -40.9165 15.7006 -40.9165 -20.7418 -27.9729 15.7006 -27.9729 15.7111 GPRESSAVG: 1599200 30.368 -40.7133 15.7537 -42.4179 -18.5682 -27.7447 15.8008 -28.4219 14.3652 TIMING: 1599200 CPU: 5124.82, 0.00316799/step Wall: 5124.82, 0.00316799/step, 2.99269 hours remaining, 231.378906 MB of memory in use. ENERGY: 1599200 3966.7007 20444.6717 14461.0016 236.7861 -202801.4729 2320.9194 0.0000 0.0000 52022.4257 -109348.9677 298.9736 -161371.3934 -108984.0478 299.4512 -124.4346 -98.4368 760093.7636 8.6003 8.7217 PRESSURE: 1599400 -176.723 -139.827 -94.8871 -139.827 -120.185 85.8396 -94.888 85.8401 149.299 GPRESSURE: 1599400 -212.019 -140.397 -145.986 -107.626 -54.1857 35.8698 -183.569 106.761 198.943 PRESSAVG: 1599400 -3.69681 -5.63916 16.5306 -5.63918 0.229897 -34.8105 16.5306 -34.8104 6.60007 GPRESSAVG: 1599400 -2.95625 -6.47111 17.2842 -4.2745 -0.631059 -34.4613 17.0938 -34.381 7.00926 TIMING: 1599400 CPU: 5125.45, 0.0031698/step Wall: 5125.45, 0.0031698/step, 2.99423 hours remaining, 231.378906 MB of memory in use. ENERGY: 1599400 4011.6956 20459.3036 14434.2013 231.9598 -202975.6476 2396.9689 0.0000 0.0000 52216.6296 -109224.8888 300.0897 -161441.5184 -108853.2946 299.7184 -49.2031 -22.4208 762336.6816 1.0444 1.1406 PRESSURE: 1599600 237.859 -51.5019 -53.4655 -51.503 55.5355 88.5294 -53.4655 88.5285 320.898 GPRESSURE: 1599600 206.982 -72.7376 -70.4761 -90.8169 164.041 91.0757 32.3454 13.9856 336.129 PRESSAVG: 1599600 -12.5716 -32.1183 33.0808 -32.1184 1.64062 -15.2284 33.0808 -15.2284 21.7483 GPRESSAVG: 1599600 -11.6934 -32.9934 32.5151 -33.2999 0.254584 -15.8447 32.3875 -14.6548 22.4496 TIMING: 1599600 CPU: 5126.09, 0.00320102/step Wall: 5126.09, 0.00320102/step, 3.02354 hours remaining, 231.378906 MB of memory in use. ENERGY: 1599600 4007.6228 20529.8309 14518.7224 235.6644 -203470.4374 2695.6093 0.0000 0.0000 52156.4889 -109326.4987 299.7441 -161482.9876 -108957.5665 300.0171 204.7641 235.7177 761020.4640 3.6058 3.6703 PRESSURE: 1599800 585.164 2.42081 4.37033 2.4212 198.798 -204.963 4.3698 -204.963 -105.544 GPRESSURE: 1599800 509.169 -83.54 15.0884 -79.4923 274.517 -61.3224 -55.6878 -260.554 -30.1862 PRESSAVG: 1599800 26.5337 -61.7023 -21.0696 -61.7023 -37.4772 3.36905 -21.0696 3.36901 11.8704 GPRESSAVG: 1599800 25.4023 -61.2922 -19.2927 -59.9095 -37.4587 2.17822 -19.7835 3.6207 12.6589 TIMING: 1599800 CPU: 5126.74, 0.00321087/step Wall: 5126.74, 0.00321087/step, 3.03266 hours remaining, 231.378906 MB of memory in use. ENERGY: 1599800 4044.8276 20590.2698 14515.0673 243.0999 -203130.1500 2471.2344 0.0000 0.0000 51819.2290 -109446.4220 297.8058 -161265.6509 -109085.6862 299.7497 226.1393 251.1666 760170.1256 0.3089 0.2008 PRESSURE: 1600000 -89.1288 -51.0133 215.214 -51.0142 -52.5484 51.879 215.214 51.8791 30.9419 GPRESSURE: 1600000 -97.0017 23.2151 206.855 -38.1247 40.6436 38.6579 119.59 -53.2621 41.3117 PRESSAVG: 1600000 -12.3177 -32.473 -45.9192 -32.4729 -2.1326 12.6025 -45.9192 12.6025 6.87943 GPRESSAVG: 1600000 -12.216 -32.6577 -48.2858 -33.3424 -2.34553 13.4748 -46.1572 12.5098 7.86936 TIMING: 1600000 CPU: 5127.37, 0.00316857/step Wall: 5127.37, 0.00316857/step, 2.99254 hours remaining, 231.378906 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: 1600000 3998.8432 20407.9498 14494.6491 260.6175 -203131.9437 2436.2597 0.0000 0.0000 52186.1322 -109347.4922 299.9144 -161533.6244 -108991.4454 299.4222 -36.9118 -5.0155 762182.2941 -2.5236 -2.2307 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.4.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 75.3032 -73.795 168.646 -73.7954 7.78604 -188.899 168.646 -188.9 -290.554 GPRESSURE: 1600200 123.685 -96.4395 90.6057 -60.8125 79.1549 -207.202 215.392 -161.014 -306.502 PRESSAVG: 1600200 3.40736 -10.0628 4.57415 -10.0629 7.96872 21.5601 4.5741 21.5601 -6.93534 GPRESSAVG: 1600200 4.68649 -8.91703 5.46225 -11.0303 8.88416 23.414 4.83279 18.8468 -8.39781 TIMING: 1600200 CPU: 5128.02, 0.00327673/step Wall: 5128.02, 0.00327673/step, 3.09451 hours remaining, 231.378906 MB of memory in use. ENERGY: 1600200 4045.5123 20596.7464 14383.9611 255.8968 -203337.2001 2583.2314 0.0000 0.0000 52257.1656 -109214.6865 300.3226 -161471.8521 -108845.4236 299.6093 -69.1550 -34.5538 761456.1583 1.4802 1.7243 LDB: ============= START OF LOAD BALANCING ============== 5140.45 LDB: ============== END OF LOAD BALANCING =============== 5140.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5140.45 LDB: ============= START OF LOAD BALANCING ============== 5140.76 LDB: Largest compute 7078 load 0.034858 is 17.8% of average load 0.195302 LDB: Average compute 0.004413 is 2.3% of average load 0.195302 LDB: TIME 5140.77 LOAD: AVG 0.195302 MAX 0.213595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.926 MB LDB: TIME 5140.77 LOAD: AVG 0.195302 MAX 0.213595 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.133 MB LDB: TIME 5140.77 LOAD: AVG 0.195302 MAX 0.213595 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.133 MB LDB: ============== END OF LOAD BALANCING =============== 5140.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5140.78 PRESSURE: 1600400 -177.794 -266.16 -3.23098 -266.16 8.59968 179.679 -3.23156 179.678 -171.878 GPRESSURE: 1600400 -150.62 -253.691 -9.55667 -297.268 67.8828 161.757 -77.3445 184.267 -161.833 PRESSAVG: 1600400 16.4134 -41.0843 -7.10626 -41.0843 -24.927 14.801 -7.10629 14.801 3.89677 GPRESSAVG: 1600400 16.4044 -40.8036 -8.52511 -40.4504 -25.0175 12.333 -7.05472 19.1916 4.08708 TIMING: 1600400 CPU: 5128.67, 0.0032205/step Wall: 5128.67, 0.0032205/step, 3.04122 hours remaining, 233.039062 MB of memory in use. ENERGY: 1600400 4018.0890 20565.7612 14481.3541 256.0989 -202998.3247 2435.8061 0.0000 0.0000 52060.0734 -109181.1419 299.1900 -161241.2153 -108822.4373 299.9241 -113.6908 -81.5234 761213.8348 -1.5389 -1.5087 PRESSURE: 1600600 5.13764 134.593 37.7885 134.593 407.295 3.84926 37.7893 3.8487 504.256 GPRESSURE: 1600600 161.938 18.8585 2.04123 146.759 421.046 -5.65094 225.367 -9.75241 432.551 PRESSAVG: 1600600 6.40622 -38.3178 43.373 -38.3179 -17.9994 5.60684 43.3731 5.60687 -5.71449 GPRESSAVG: 1600600 6.15339 -40.9153 44.6521 -38.7954 -18.2198 5.62458 42.7459 4.18032 -5.32885 TIMING: 1600600 CPU: 5129.3, 0.00313852/step Wall: 5129.3, 0.00313852/step, 2.96363 hours remaining, 233.039062 MB of memory in use. ENERGY: 1600600 3982.3230 20486.2462 14432.0712 247.5897 -203374.7203 2593.4540 0.0000 0.0000 52639.4422 -108993.5939 302.5196 -161633.0361 -108622.1658 299.8403 305.5628 338.5120 759803.7345 -5.7692 -5.7984 PRESSURE: 1600800 47.4406 -131.34 -92.2855 -131.339 -143.594 50.6977 -92.2858 50.6996 -376.642 GPRESSURE: 1600800 89.5216 -70.9995 -74.0293 -214.103 -149.057 76.8342 35.4375 102.385 -322.127 PRESSAVG: 1600800 -9.23624 -106.811 64.4812 -106.811 16.4667 44.5079 64.4812 44.5079 11.7248 GPRESSAVG: 1600800 -9.29335 -104.114 66.1988 -107.864 17.3374 43.6647 63.7287 45.6603 11.1153 TIMING: 1600800 CPU: 5129.92, 0.00313932/step Wall: 5129.92, 0.00313932/step, 2.96421 hours remaining, 233.039062 MB of memory in use. ENERGY: 1600800 3929.2027 20573.1598 14473.2016 255.6275 -202517.4400 2395.8537 0.0000 0.0000 52125.9145 -108764.4802 299.5683 -160890.3947 -108393.6141 300.2943 -157.5986 -127.2208 762432.9808 6.3184 6.3864 PRESSURE: 1601000 -237.66 -25.8981 209.319 -25.898 63.8742 38.9727 209.32 38.9718 90.0139 GPRESSURE: 1601000 -145.679 54.1408 163.278 -29.4683 56.4825 68.8594 135.055 -40.8055 100.376 PRESSAVG: 1601000 11.3082 -62.4065 2.03936 -62.4065 36.0297 -1.20855 2.03935 -1.20856 37.0247 GPRESSAVG: 1601000 11.2625 -63.3094 0.968991 -59.3433 35.5095 -1.33978 2.32281 -4.2055 37.202 TIMING: 1601000 CPU: 5130.56, 0.00315388/step Wall: 5130.56, 0.00315388/step, 2.97779 hours remaining, 233.039062 MB of memory in use. ENERGY: 1601000 4114.4156 20413.7908 14494.3546 235.7695 -202708.2948 2345.8214 0.0000 0.0000 52223.7217 -108880.4211 300.1304 -161104.1428 -108511.4532 300.2252 -27.9239 3.7265 762152.1279 28.1209 27.9913 PRESSURE: 1601200 94.0105 -171.283 -8.6432 -171.285 -103.324 46.0506 -8.64315 46.0513 233.069 GPRESSURE: 1601200 137.547 -187.995 -46.7969 -68.3196 -15.2918 86.0965 141.609 66.0044 187.614 PRESSAVG: 1601200 4.83034 -70.9234 -28.5015 -70.9234 -25.4755 38.7878 -28.5014 38.7878 -18.938 GPRESSAVG: 1601200 5.72896 -71.498 -28.7578 -73.2286 -26.4924 40.4823 -29.1593 40.3449 -18.7646 TIMING: 1601200 CPU: 5131.18, 0.00314211/step Wall: 5131.18, 0.00314211/step, 2.9665 hours remaining, 233.039062 MB of memory in use. ENERGY: 1601200 3972.0700 20522.3831 14514.8248 247.9394 -203140.7053 2495.7676 0.0000 0.0000 52009.4476 -109378.2728 298.8990 -161387.7203 -109016.8291 299.8124 74.5853 103.2897 761060.3631 -13.1944 -13.1760 PRESSURE: 1601400 -198.745 69.7459 138.662 69.7455 -219.268 -281.546 138.662 -281.546 -2.03733 GPRESSURE: 1601400 -223.255 -63.3164 58.4102 119.844 -157.359 -261.694 133.121 -179.044 38.3864 PRESSAVG: 1601400 56.0591 -49.9463 -25.3911 -49.9464 -37.3113 -22.8323 -25.3911 -22.8323 0.787087 GPRESSAVG: 1601400 55.5107 -47.6037 -26.404 -50.305 -36.6903 -22.7891 -24.4997 -23.2893 0.712211 TIMING: 1601400 CPU: 5131.82, 0.0031606/step Wall: 5131.82, 0.0031606/step, 2.98378 hours remaining, 233.039062 MB of memory in use. ENERGY: 1601400 3974.9482 20416.3395 14484.3407 243.2842 -203042.1320 2380.7562 0.0000 0.0000 52187.1378 -109355.3254 299.9202 -161542.4632 -108972.9374 299.5864 -140.0168 -114.0758 761111.8515 6.5116 6.5108 PRESSURE: 1601600 87.7704 -155.914 18.0102 -155.913 101.171 72.3624 18.01 72.3634 -507.213 GPRESSURE: 1601600 131.192 -86.5496 68.9186 -74.7824 86.9408 33.1709 -65.3415 132.228 -453.151 PRESSAVG: 1601600 20.3907 23.0938 -21.3513 23.0939 -27.0139 -26.2034 -21.3512 -26.2033 -3.32224 GPRESSAVG: 1601600 19.7333 20.675 -20.0407 26.1101 -26.9057 -26.6013 -21.513 -24.9862 -2.87379 TIMING: 1601600 CPU: 5132.45, 0.00318397/step Wall: 5132.45, 0.00318397/step, 3.00567 hours remaining, 233.039062 MB of memory in use. ENERGY: 1601600 4013.6306 20386.5474 14537.6569 264.6202 -202951.3301 2259.1897 0.0000 0.0000 51966.8944 -109522.7908 298.6545 -161489.6852 -109159.5593 299.4639 -106.0904 -78.3393 761435.9163 -3.3151 -3.3487 PRESSURE: 1601800 229.116 42.0861 -67.5872 42.086 -92.162 -133.785 -67.5882 -133.785 -319.715 GPRESSURE: 1601800 304.359 -88.6441 -90.4644 -0.654384 -48.2606 -173.867 59.7063 -178.909 -340.834 PRESSAVG: 1601800 38.3925 -3.96363 52.1461 -3.96361 -33.019 -44.442 52.1461 -44.4421 -12.0243 GPRESSAVG: 1601800 39.2425 -3.0355 51.6898 -4.93192 -32.3682 -43.8607 50.836 -48.1691 -12.8583 TIMING: 1601800 CPU: 5133.09, 0.00317256/step Wall: 5133.09, 0.00317256/step, 2.99472 hours remaining, 233.039062 MB of memory in use. ENERGY: 1601800 3948.9644 20473.9015 14486.0653 242.7728 -203259.3120 2306.5594 0.0000 0.0000 52243.7168 -109557.3319 300.2454 -161801.0487 -109194.1764 299.0664 -60.9203 -28.2451 761384.5307 -2.2169 -1.9947 PRESSURE: 1602000 125.216 -103.267 -227.221 -103.268 -90.7563 12.298 -227.221 12.2972 -45.2979 GPRESSURE: 1602000 118.463 -5.16117 -279.123 -82.001 3.13531 -23.4201 -137.414 3.26708 -33.8986 PRESSAVG: 1602000 31.5594 -13.1965 18.903 -13.1965 -5.03303 -19.4353 18.9031 -19.4353 17.1108 GPRESSAVG: 1602000 31.2637 -13.1074 19.1496 -12.8201 -3.91397 -20.0783 22.1621 -15.7807 16.8014 TIMING: 1602000 CPU: 5133.71, 0.00312874/step Wall: 5133.71, 0.00312874/step, 2.95319 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 3982.5383 20411.7415 14480.7776 240.3283 -203333.0416 2553.3627 0.0000 0.0000 51613.0588 -110051.2344 296.6210 -161664.2932 -109686.5932 298.3816 -3.6128 29.2334 760347.1554 14.5457 14.7170 PRESSURE: 1602200 -102.613 -147.253 44.5411 -147.253 -93.5174 -18.3315 44.5415 -18.3309 234.097 GPRESSURE: 1602200 -78.6266 -16.2389 94.1423 -239.549 -0.393245 21.1607 -5.82342 -26.7546 216.743 PRESSAVG: 1602200 72.3248 -58.0887 -16.4978 -58.0888 -29.0663 -16.1737 -16.4979 -16.1737 8.8547 GPRESSAVG: 1602200 71.3379 -57.7154 -18.1584 -59.7563 -28.5519 -15.3558 -16.2481 -17.003 9.08341 TIMING: 1602200 CPU: 5134.34, 0.00314829/step Wall: 5134.34, 0.00314829/step, 2.97146 hours remaining, 233.039062 MB of memory in use. ENERGY: 1602200 3971.9987 20461.8576 14444.1098 234.3469 -203361.7576 2444.2045 0.0000 0.0000 51645.2503 -110159.9897 296.8060 -161805.2400 -109802.0246 297.7965 12.6556 45.9077 760189.1421 17.3711 17.2898 PRESSURE: 1602400 204.196 -51.802 64.1299 -51.8018 -263.734 -107.008 64.1293 -107.009 -179.013 GPRESSURE: 1602400 175.266 -59.5212 134.316 -141.41 -169.032 -276.443 94.8158 -11.1612 -141.863 PRESSAVG: 1602400 50.4918 -48.326 26.7876 -48.3259 -33.6758 35.926 26.7877 35.9261 6.81249 GPRESSAVG: 1602400 51.5242 -49.1115 27.8351 -48.4456 -34.3166 35.4244 25.0153 37.1659 6.58572 TIMING: 1602400 CPU: 5134.97, 0.00313105/step Wall: 5134.97, 0.00313105/step, 2.95501 hours remaining, 233.039062 MB of memory in use. ENERGY: 1602400 3960.3095 20554.5695 14379.5650 260.5143 -203802.3686 2613.6811 0.0000 0.0000 51839.4957 -110194.2335 297.9223 -162033.7292 -109830.8188 297.9118 -79.5171 -45.2098 760723.3996 7.8762 7.9311 PRESSURE: 1602600 -159.305 -35.1809 333.4 -35.1809 -551.619 30.752 333.4 30.7518 98.0696 GPRESSURE: 1602600 -27.4534 -7.70677 346.815 15.3958 -510.355 30.5919 197.46 -57.742 8.52415 PRESSAVG: 1602600 76.3828 -46.7173 -5.06627 -46.7173 -59.5243 21.6068 -5.06627 21.6069 -16.534 GPRESSAVG: 1602600 75.4178 -47.2921 -4.93023 -46.0705 -59.3432 20.2712 -6.21276 21.2095 -16.0829 TIMING: 1602600 CPU: 5135.6, 0.00313652/step Wall: 5135.6, 0.00313652/step, 2.96 hours remaining, 233.039062 MB of memory in use. ENERGY: 1602600 4025.8158 20497.1990 14480.8363 248.7046 -203296.3661 2563.4901 0.0000 0.0000 51797.4609 -109682.8595 297.6807 -161480.3204 -109322.8912 298.4968 -204.2846 -176.4281 761623.1665 0.1081 -0.0028 PRESSURE: 1602800 39.9262 139.38 111.558 139.38 -8.47265 108.966 111.558 108.966 -557.563 GPRESSURE: 1602800 108.563 132.766 92.52 223.791 -70.6849 119.729 75.0983 47.2595 -503.198 PRESSAVG: 1602800 8.17926 -41.9003 76.0769 -41.9003 1.80218 16.2724 76.0769 16.2724 21.8734 GPRESSAVG: 1602800 8.62033 -39.5531 76.7626 -43.5274 1.40482 16.7673 78.4365 14.3387 21.871 TIMING: 1602800 CPU: 5136.23, 0.0031462/step Wall: 5136.23, 0.0031462/step, 2.96897 hours remaining, 233.039062 MB of memory in use. ENERGY: 1602800 4028.3679 20591.4706 14523.3674 249.4369 -203629.7445 2630.7374 0.0000 0.0000 51956.2210 -109650.1433 298.5931 -161606.3643 -109291.3112 299.4057 -175.3699 -155.1065 760422.0364 10.6183 10.6320 PRESSURE: 1603000 -110.781 41.1639 68.157 41.1633 -112.816 227.258 68.1569 227.257 -8.56445 GPRESSURE: 1603000 -109.324 -41.6462 48.2908 25.0993 -0.333666 226.966 123.927 298.782 -33.6934 PRESSAVG: 1603000 12.4169 -1.12121 26.1452 -1.12116 -30.7749 16.3244 26.1453 16.3244 1.32665 GPRESSAVG: 1603000 11.5506 -2.24242 23.6823 1.45794 -31.7074 15.5044 25.8283 17.9 2.61385 TIMING: 1603000 CPU: 5136.86, 0.00315755/step Wall: 5136.86, 0.00315755/step, 2.9795 hours remaining, 233.039062 MB of memory in use. ENERGY: 1603000 4033.9244 20665.2233 14456.0654 232.7344 -203782.5883 2762.3739 0.0000 0.0000 52105.4349 -109526.8319 299.4507 -161632.2668 -109163.7034 299.0459 -77.3872 -47.7838 762634.6251 -5.6771 -5.8477 PRESSURE: 1603200 231.245 112.514 -26.8262 112.515 -344.467 19.1648 -26.8268 19.1643 0.0449895 GPRESSURE: 1603200 258.874 99.1422 9.57807 43.4745 -253.112 36.0592 -43.7173 60.8113 -48.0388 PRESSAVG: 1603200 29.4516 -16.6383 27.8254 -16.6384 -24.8778 -21.082 27.8254 -21.0821 -26.9777 GPRESSAVG: 1603200 31.538 -16.0056 29.855 -18.6309 -24.6867 -21.1139 28.8319 -20.7369 -29.37 TIMING: 1603200 CPU: 5137.49, 0.0031474/step Wall: 5137.49, 0.0031474/step, 2.96974 hours remaining, 233.039062 MB of memory in use. ENERGY: 1603200 3950.3829 20532.4626 14448.1580 242.8399 -203468.9779 2485.6953 0.0000 0.0000 52113.0527 -109696.3865 299.4944 -161809.4392 -109334.1485 299.1002 -37.7255 -14.0921 760673.2951 -7.4680 -7.5062 PRESSURE: 1603400 -385.97 152.731 -90.4969 152.731 -435.959 -24.3372 -90.4972 -24.338 -514.572 GPRESSURE: 1603400 -343.009 114.465 -11.9636 239.86 -363.801 -35.2071 -193.636 -36.5353 -535.784 PRESSAVG: 1603400 14.5255 -7.43951 9.02493 -7.43955 -34.4312 -78.436 9.02488 -78.4359 8.49253 GPRESSAVG: 1603400 12.6385 -7.65675 9.23228 -4.5492 -33.0731 -77.3262 6.52186 -78.1668 8.422 TIMING: 1603400 CPU: 5138.12, 0.0031667/step Wall: 5138.12, 0.0031667/step, 2.98778 hours remaining, 233.039062 MB of memory in use. ENERGY: 1603400 3945.1858 20571.5713 14374.2857 240.7310 -203495.6019 2348.3038 0.0000 0.0000 52276.4725 -109739.0518 300.4336 -162015.5243 -109372.4465 299.0501 -445.5002 -414.1980 762211.4510 -3.8044 -4.0042 PRESSURE: 1603600 -190.353 186.254 3.05516 186.253 189.314 80.1642 3.05462 80.1641 -46.0019 GPRESSURE: 1603600 -113.449 31.2322 34.9077 87.9725 221.511 44.3547 58.9999 -18.9859 -43.4348 PRESSAVG: 1603600 27.8847 52.9444 -16.9888 52.9445 -35.2767 -10.2669 -16.9888 -10.2669 -1.71867 GPRESSAVG: 1603600 27.6 52.4171 -15.7037 53.0133 -37.2618 -10.1276 -15.7684 -13.811 1.00395 TIMING: 1603600 CPU: 5138.75, 0.00315632/step Wall: 5138.75, 0.00315632/step, 2.97781 hours remaining, 233.039062 MB of memory in use. ENERGY: 1603600 3971.0992 20413.7859 14421.7973 244.6088 -203489.2557 2613.8686 0.0000 0.0000 52115.4034 -109708.6924 299.5079 -161824.0958 -109336.6924 298.4527 -15.6803 21.5425 761270.2628 -3.0369 -2.8860 PRESSURE: 1603800 -32.618 -112.389 50.1981 -112.389 -191.932 94.9544 50.1989 94.9549 670.406 GPRESSURE: 1603800 64.695 -82.2617 114.89 -170.774 -194.706 143.52 -61.6107 97.5595 689.024 PRESSAVG: 1603800 12.8972 16.7948 2.38192 16.7948 -11.4338 -23.2753 2.38191 -23.2752 16.6537 GPRESSAVG: 1603800 14.3228 17.3489 0.129236 15.5976 -12.123 -22.431 1.75831 -20.791 15.3075 TIMING: 1603800 CPU: 5139.38, 0.00313531/step Wall: 5139.38, 0.00313531/step, 2.95782 hours remaining, 233.039062 MB of memory in use. ENERGY: 1603800 3943.7825 20556.1456 14386.3226 249.5622 -202936.5448 2254.9308 0.0000 0.0000 52044.0021 -109501.7990 299.0976 -161545.8011 -109148.0208 298.8996 148.6187 186.3377 762137.4711 6.0391 5.8358 PRESSURE: 1604000 -58.7998 144.84 135.973 144.84 28.7051 -267.965 135.972 -267.966 3.55931 GPRESSURE: 1604000 -81.3404 149.629 28.2198 155.648 91.2217 -284.241 146.457 -181.2 43.0426 PRESSAVG: 1604000 82.6458 -12.9849 -42.3459 -12.9849 -32.0958 3.06375 -42.346 3.06371 -4.59736 GPRESSAVG: 1604000 81.5939 -14.3575 -40.328 -11.7646 -31.4184 2.55202 -42.7362 3.63636 -4.41116 TIMING: 1604000 CPU: 5140.01, 0.00314664/step Wall: 5140.01, 0.00314664/step, 2.96833 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 4003.6474 20566.1479 14492.0337 241.9238 -203225.9470 2411.8562 0.0000 0.0000 52026.0610 -109484.2770 298.9945 -161510.3380 -109115.8509 299.2158 -8.8451 17.6413 761077.5650 15.3176 15.2548 PRESSURE: 1604200 -150.946 114.133 123.067 114.133 -294.698 2.53651 123.068 2.53669 34.0699 GPRESSURE: 1604200 -128.077 91.2731 121.397 182.47 -262.753 64.2042 26.2437 87.6272 49.7254 PRESSAVG: 1604200 35.8595 20.4209 -7.02769 20.421 -0.614089 -32.7039 -7.02765 -32.7039 -0.233279 GPRESSAVG: 1604200 35.131 21.7315 -8.14696 20.4747 0.240444 -34.6283 -3.24338 -34.084 -0.121482 TIMING: 1604200 CPU: 5140.64, 0.00315228/step Wall: 5140.64, 0.00315228/step, 2.97347 hours remaining, 233.039062 MB of memory in use. ENERGY: 1604200 4043.8621 20631.1349 14525.4775 245.3518 -203366.9843 2539.9372 0.0000 0.0000 52112.9450 -109268.2757 299.4938 -161381.2207 -108901.9226 299.9507 -137.1914 -113.7015 761371.3234 11.6707 11.7500 LDB: ============= START OF LOAD BALANCING ============== 5153.06 LDB: ============== END OF LOAD BALANCING =============== 5153.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5153.06 LDB: ============= START OF LOAD BALANCING ============== 5153.38 LDB: Largest compute 7031 load 0.035642 is 18.3% of average load 0.195286 LDB: Average compute 0.004424 is 2.3% of average load 0.195286 LDB: TIME 5153.38 LOAD: AVG 0.195286 MAX 0.213102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.688 MB LDB: TIME 5153.38 LOAD: AVG 0.195286 MAX 0.213102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.688 MB LDB: TIME 5153.38 LOAD: AVG 0.195286 MAX 0.213102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.688 MB LDB: ============== END OF LOAD BALANCING =============== 5153.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5153.39 PRESSURE: 1604400 27.1619 112.459 -38.8942 112.458 -77.8672 -125.956 -38.8934 -125.956 68.3887 GPRESSURE: 1604400 75.8602 30.5955 -35.7515 158.197 15.0352 -138.5 -33.2354 -134.784 14.5536 PRESSAVG: 1604400 54.7675 -28.1905 3.76318 -28.1907 9.14008 -46.4159 3.7631 -46.416 -24.7262 GPRESSAVG: 1604400 55.4184 -27.382 3.53007 -29.6389 8.1065 -43.0353 1.19768 -46.4088 -24.3245 TIMING: 1604400 CPU: 5141.28, 0.00322312/step Wall: 5141.28, 0.00322312/step, 3.04012 hours remaining, 232.773438 MB of memory in use. ENERGY: 1604400 4028.9544 20540.7923 14515.5899 248.8369 -203624.8311 2787.7764 0.0000 0.0000 52076.4379 -109426.4434 299.2840 -161502.8813 -109061.4890 299.5440 5.8945 35.1497 762156.4310 13.0604 13.0668 PRESSURE: 1604600 79.4801 85.4447 83.5919 85.4448 -89.4677 -229.778 83.5926 -229.778 50.5405 GPRESSURE: 1604600 -51.794 -4.45265 5.65089 90.8367 85.7954 -32.2511 224.739 -159.521 93.7261 PRESSAVG: 1604600 0.892333 -39.0449 63.911 -39.0449 17.8328 5.65203 63.911 5.652 25.9032 GPRESSAVG: 1604600 0.717324 -39.6251 64.1748 -39.6425 19.3215 4.1146 65.3773 6.19515 24.6099 TIMING: 1604600 CPU: 5141.91, 0.00315795/step Wall: 5141.91, 0.00315795/step, 2.97847 hours remaining, 232.773438 MB of memory in use. ENERGY: 1604600 3992.0473 20396.7513 14541.8047 251.0728 -203388.3873 2600.8279 0.0000 0.0000 52212.3183 -109393.5649 300.0649 -161605.8832 -109026.7854 298.9953 13.5177 42.5758 761819.4356 14.8761 14.8829 PRESSURE: 1604800 -416.377 102.029 -61.9538 102.029 226.557 -156.822 -61.9534 -156.821 -383.202 GPRESSURE: 1604800 -357.456 -54.2439 -91.0343 144.531 275.162 -246.332 -165.865 -186.286 -392.972 PRESSAVG: 1604800 1.91292 -6.10562 40.9025 -6.10562 -7.93663 3.97808 40.9025 3.97816 0.550433 GPRESSAVG: 1604800 2.35464 -5.08692 39.193 -6.32088 -8.48342 4.88394 40.0935 3.89632 0.775414 TIMING: 1604800 CPU: 5142.55, 0.00315578/step Wall: 5142.55, 0.00315578/step, 2.97625 hours remaining, 232.773438 MB of memory in use. ENERGY: 1604800 4003.6804 20554.5789 14425.7855 246.3942 -203418.3827 2521.1222 0.0000 0.0000 52339.2476 -109327.5740 300.7944 -161666.8216 -108961.0984 299.4559 -191.0072 -158.4221 762073.8590 -1.8244 -1.7845 PRESSURE: 1605000 -178.479 -33.9844 87.2871 -33.9844 -205.681 161.591 87.2873 161.59 -51.2656 GPRESSURE: 1605000 -101.102 -33.4085 59.2612 26.8827 -202.161 76.1208 34.2901 164.157 -44.0933 PRESSAVG: 1605000 13.4784 -60.6306 -11.533 -60.6307 32.0111 22.5635 -11.533 22.5635 -3.40398 GPRESSAVG: 1605000 13.0881 -61.6652 -11.1925 -59.8565 31.383 20.6882 -11.3509 22.2115 -3.11492 TIMING: 1605000 CPU: 5143.17, 0.00314664/step Wall: 5143.17, 0.00314664/step, 2.96745 hours remaining, 232.773438 MB of memory in use. ENERGY: 1605000 4032.5375 20548.8563 14499.5500 236.1765 -202968.5687 2370.5673 0.0000 0.0000 52048.4872 -109232.3939 299.1234 -161280.8811 -108870.6257 299.7123 -145.1419 -115.7854 761645.6095 14.0285 13.7854 PRESSURE: 1605200 342.041 127.905 -100.073 127.906 270.889 -61.8794 -100.073 -61.8806 99.2435 GPRESSURE: 1605200 408.821 30.6914 -135.327 97.0714 269.813 -106.84 -49.4877 91.8839 117.41 PRESSAVG: 1605200 31.5743 -38.9957 -32.9172 -38.9957 22.2449 1.90665 -32.9172 1.90665 -3.48206 GPRESSAVG: 1605200 31.4138 -38.9645 -32.6324 -39.4168 22.2613 3.85011 -32.3901 1.1501 -3.12246 TIMING: 1605200 CPU: 5143.8, 0.00314893/step Wall: 5143.8, 0.00314893/step, 2.96944 hours remaining, 232.773438 MB of memory in use. ENERGY: 1605200 4006.3345 20607.8949 14430.9067 260.5254 -203597.0037 2856.3478 0.0000 0.0000 52281.0440 -109153.9505 300.4599 -161434.9945 -108789.7924 299.8932 237.3911 265.3480 759615.0426 16.7791 16.8509 PRESSURE: 1605400 -205.572 36.296 11.7206 36.2959 -114.114 59.6388 11.7205 59.6391 -387.04 GPRESSURE: 1605400 -106.314 48.5214 -6.74847 -37.9107 -118.876 73.0663 -65.0413 193.493 -383.475 PRESSAVG: 1605400 34.7698 -43.8473 -32.0737 -43.8473 -34.016 9.53756 -32.0737 9.53761 24.5336 GPRESSAVG: 1605400 33.3146 -43.8454 -30.959 -44.2463 -33.1123 8.0587 -32.985 13.1971 24.4194 TIMING: 1605400 CPU: 5144.44, 0.00315538/step Wall: 5144.44, 0.00315538/step, 2.97534 hours remaining, 232.773438 MB of memory in use. ENERGY: 1605400 3991.9109 20574.8696 14468.9540 241.9879 -202208.5551 2010.7790 0.0000 0.0000 51836.6645 -109083.3891 297.9060 -160920.0536 -108721.0353 299.5501 -235.5755 -202.8880 762164.7080 8.4291 8.2072 PRESSURE: 1605600 -204.28 68.1354 -16.8616 68.1349 -191.255 59.3858 -16.8607 59.3865 9.89828 GPRESSURE: 1605600 -171.14 -79.1633 -30.8221 183.652 -43.3163 57.8187 -107.754 48.3475 -58.1657 PRESSAVG: 1605600 38.9854 -76.3732 10.9772 -76.3733 -36.9125 4.26734 10.9772 4.26752 -6.52883 GPRESSAVG: 1605600 40.5991 -79.0403 10.2115 -75.1331 -38.5624 4.13684 10.6149 1.57684 -6.4962 TIMING: 1605600 CPU: 5145.07, 0.00315533/step Wall: 5145.07, 0.00315533/step, 2.97512 hours remaining, 232.773438 MB of memory in use. ENERGY: 1605600 3991.0438 20702.6522 14462.9044 242.7198 -203369.8993 2561.6429 0.0000 0.0000 52343.4116 -109065.5245 300.8183 -161408.9361 -108704.3808 299.8157 -128.5458 -90.8741 761492.0629 -1.4853 -1.4865 PRESSURE: 1605800 -309.971 -41.7534 108.259 -41.7531 55.247 19.0298 108.259 19.0299 173.745 GPRESSURE: 1605800 -242.385 91.8371 112.032 -127.171 52.8529 -60.9543 28.9506 78.871 191.577 PRESSAVG: 1605800 14.8645 -37.5727 5.96733 -37.5727 -13.8087 -29.9344 5.96738 -29.9345 -1.796 GPRESSAVG: 1605800 15.0005 -33.6467 5.96379 -40.4224 -14.0682 -29.3568 7.66142 -29.8032 -1.7498 TIMING: 1605800 CPU: 5145.69, 0.00314017/step Wall: 5145.69, 0.00314017/step, 2.96066 hours remaining, 232.773438 MB of memory in use. ENERGY: 1605800 3936.9397 20580.5729 14523.7649 243.6461 -203611.7276 2760.6298 0.0000 0.0000 52263.3183 -109302.8559 300.3580 -161566.1743 -108937.5159 299.9366 -26.9929 0.6816 762780.1787 -0.2467 -0.2725 PRESSURE: 1606000 -31.7255 105.497 -75.3488 105.497 -244.11 -86.4978 -75.3484 -86.4982 -399.482 GPRESSURE: 1606000 -40.0123 69.3723 -161.63 32.8338 -126.114 -5.63492 -92.7253 -18.304 -429.996 PRESSAVG: 1606000 33.2618 -29.8021 5.74742 -29.802 33.3098 7.93674 5.74747 7.93671 11.752 GPRESSAVG: 1606000 32.1029 -31.6931 6.02686 -26.7423 34.6576 9.20937 6.15017 8.74668 10.6625 TIMING: 1606000 CPU: 5146.32, 0.00314202/step Wall: 5146.32, 0.00314202/step, 2.96223 hours remaining, 232.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1606000 3986.0789 20559.6419 14449.6716 255.6786 -203190.7387 2374.2912 0.0000 0.0000 52264.4865 -109300.8900 300.3647 -161565.3765 -108929.4889 299.7237 -225.1061 -198.7077 761858.9139 26.1079 25.8077 PRESSURE: 1606200 -20.1386 98.4439 -42.3981 98.4438 -75.2206 -20.5396 -42.3979 -20.5388 409.689 GPRESSURE: 1606200 -60.8506 121.995 -80.1797 -3.57059 4.51009 -96.5468 -125.924 30.8981 484.996 PRESSAVG: 1606200 -55.0229 -52.3201 -21.2601 -52.3201 24.028 -6.63692 -21.2601 -6.63683 -12.3713 GPRESSAVG: 1606200 -55.0639 -52.2521 -22.6736 -54.1124 22.6793 -6.86968 -22.6088 -7.11064 -11.4965 TIMING: 1606200 CPU: 5146.95, 0.00315647/step Wall: 5146.95, 0.00315647/step, 2.97567 hours remaining, 232.773438 MB of memory in use. ENERGY: 1606200 3987.1306 20491.6306 14510.8438 254.1746 -202661.6510 2190.2132 0.0000 0.0000 51960.9186 -109266.7394 298.6201 -161227.6580 -108898.0268 299.7033 104.7766 142.8851 760526.5030 -14.4554 -14.6270 PRESSURE: 1606400 158.153 -67.032 -38.0373 -67.0319 54.8986 63.7063 -38.0367 63.7056 -62.7743 GPRESSURE: 1606400 197.216 28.6754 -13.8723 -39.639 41.7568 87.9782 -111.384 128.589 35.1165 PRESSAVG: 1606400 -43.6091 -5.14556 -12.7335 -5.14561 30.7204 -81.5976 -12.7334 -81.5976 -22.1644 GPRESSAVG: 1606400 -44.3734 -5.46425 -12.1324 -5.9172 31.2421 -83.9741 -12.6443 -80.9919 -22.2821 TIMING: 1606400 CPU: 5147.58, 0.0031514/step Wall: 5147.58, 0.0031514/step, 2.97072 hours remaining, 232.773438 MB of memory in use. ENERGY: 1606400 4015.7582 20590.5537 14475.4970 241.8375 -203298.6999 2502.0313 0.0000 0.0000 52223.9950 -109249.0272 300.1320 -161473.0222 -108886.2979 299.7581 50.0923 91.3632 759969.7128 -11.6843 -11.8045 PRESSURE: 1606600 220.825 -132.914 12.2976 -132.914 87.0413 -185.33 12.2976 -185.33 243.172 GPRESSURE: 1606600 189.681 -168.744 102.111 -160.765 161.257 -190.306 -29.329 -243.925 270.356 PRESSAVG: 1606600 21.848 -57.2222 -2.1231 -57.2223 31.6222 -53.3945 -2.12303 -53.3945 -6.98311 GPRESSAVG: 1606600 23.2854 -56.5749 -2.08631 -58.545 31.2243 -51.8014 -1.77351 -52.8812 -7.81171 TIMING: 1606600 CPU: 5148.22, 0.00316022/step Wall: 5148.22, 0.00316022/step, 2.97886 hours remaining, 232.773438 MB of memory in use. ENERGY: 1606600 3992.4256 20555.5452 14504.3155 239.4247 -203340.9036 2658.7916 0.0000 0.0000 52067.8908 -109322.5103 299.2349 -161390.4011 -108960.6930 299.9546 183.6793 207.0981 762155.3208 15.4957 15.5660 PRESSURE: 1606800 18.5905 62.5853 6.48016 62.5851 103.17 112.827 6.47953 112.827 105.674 GPRESSURE: 1606800 139.588 112.726 20.4241 20.0778 142.18 169.137 -27.2649 -7.32795 48.6942 PRESSAVG: 1606800 4.99594 -11.7502 33.2518 -11.7502 24.5509 -40.5792 33.2517 -40.5792 -18.0996 GPRESSAVG: 1606800 5.19743 -11.7269 33.5266 -9.92149 23.1668 -40.1273 32.9882 -43.5533 -17.0291 TIMING: 1606800 CPU: 5148.85, 0.00316672/step Wall: 5148.85, 0.00316672/step, 2.98481 hours remaining, 232.773438 MB of memory in use. ENERGY: 1606800 4014.8533 20380.2511 14535.0570 264.0346 -203122.9047 2652.1495 0.0000 0.0000 52182.1934 -109094.3657 299.8918 -161276.5591 -108734.7175 299.5994 75.8116 110.1541 762940.0565 3.8157 3.7784 PRESSURE: 1607000 -110.209 90.2571 43.9018 90.2578 -579.564 -25.0281 43.902 -25.0272 -189.298 GPRESSURE: 1607000 -155.543 80.0565 90.7373 42.5896 -472.61 -75.262 110.256 168.541 -146.726 PRESSAVG: 1607000 -16.9846 -3.69401 61.7713 -3.69403 11.8122 -11.5169 61.7714 -11.5169 18.2949 GPRESSAVG: 1607000 -17.7886 -3.08539 61.0131 -4.14476 13.679 -11.3101 61.3708 -7.66217 17.714 TIMING: 1607000 CPU: 5149.48, 0.00316431/step Wall: 5149.48, 0.00316431/step, 2.98236 hours remaining, 232.773438 MB of memory in use. ENERGY: 1607000 4023.2386 20522.1422 14537.4370 241.6000 -203025.0926 2506.4858 0.0000 0.0000 52197.3288 -108996.8603 299.9788 -161194.1891 -108638.9021 300.1840 -293.0238 -258.2931 761477.6701 4.3742 4.5348 PRESSURE: 1607200 236.388 14.3503 151.334 14.3506 182.315 1.42378 151.334 1.42275 254.953 GPRESSURE: 1607200 297.808 35.2764 138.507 -31.998 188.241 -11.0835 180.943 -73.6876 287.205 PRESSAVG: 1607200 37.7651 -18.7712 6.15616 -18.7712 -78.5791 -15.8133 6.15617 -15.8133 -11.8382 GPRESSAVG: 1607200 37.4994 -20.957 8.12935 -20.461 -78.8318 -16.4464 6.67336 -18.8866 -11.4818 TIMING: 1607200 CPU: 5150.11, 0.00314512/step Wall: 5150.11, 0.00314512/step, 2.9641 hours remaining, 232.773438 MB of memory in use. ENERGY: 1607200 4068.1452 20424.1203 14465.7789 250.3400 -203178.9828 2698.3625 0.0000 0.0000 52127.3902 -109144.8457 299.5768 -161272.2359 -108785.5200 299.9626 224.5522 257.7513 761921.7493 -17.5507 -17.6047 PRESSURE: 1607400 -146.247 -2.64913 -139.544 -2.64854 -193.782 228.573 -139.543 228.572 383.374 GPRESSURE: 1607400 -43.8641 -89.1462 -190.922 -65.2095 -125.287 231.793 -170.987 180.423 310.288 PRESSAVG: 1607400 46.1016 25.3526 32.2923 25.3526 -51.7606 -2.41117 32.2923 -2.41124 -1.59803 GPRESSAVG: 1607400 47.1548 25.5629 31.1213 25.9927 -52.5179 -1.27646 31.6018 -0.185914 -1.41882 TIMING: 1607400 CPU: 5150.74, 0.00313663/step Wall: 5150.74, 0.00313663/step, 2.95593 hours remaining, 232.773438 MB of memory in use. ENERGY: 1607400 4006.2089 20357.5854 14497.4347 259.1028 -203014.0119 2374.1583 0.0000 0.0000 52170.5896 -109348.9322 299.8251 -161519.5218 -108982.4997 299.4690 14.4484 47.0455 760505.2865 -2.4190 -2.2606 PRESSURE: 1607600 250.843 -359.469 -72.5951 -359.469 -175.028 82.9659 -72.595 82.9655 52.8084 GPRESSURE: 1607600 272.766 -303.745 -33.1178 -228.453 -143.956 101.732 -70.5339 20.3198 92.6509 PRESSAVG: 1607600 77.5064 -66.5444 32.0512 -66.5444 -48.3904 19.7395 32.0513 19.7395 5.59548 GPRESSAVG: 1607600 78.4261 -68.157 32.6526 -66.0032 -48.311 20.1578 33.0276 17.8849 5.26834 TIMING: 1607600 CPU: 5151.36, 0.0031209/step Wall: 5151.36, 0.0031209/step, 2.94092 hours remaining, 232.773438 MB of memory in use. ENERGY: 1607600 3985.8850 20532.0402 14449.0913 239.5845 -203486.0668 2762.7479 0.0000 0.0000 52008.4794 -109508.2386 298.8934 -161516.7179 -109154.7670 299.0203 42.8746 73.8201 762005.9968 11.5705 11.7945 PRESSURE: 1607800 -19.8068 -154.434 28.5811 -154.434 -150.847 -113.884 28.5809 -113.884 -204.072 GPRESSURE: 1607800 -3.27204 -105.547 2.0645 -66.7232 -169.428 -148.326 -55.0654 -163.196 -118.663 PRESSAVG: 1607800 22.4715 -80.1661 13.7486 -80.1661 -40.4108 3.60217 13.7487 3.60212 -14.0755 GPRESSAVG: 1607800 21.1647 -79.5128 13.0844 -79.0313 -39.2889 2.4148 12.4618 4.1675 -13.7513 TIMING: 1607800 CPU: 5151.99, 0.00312819/step Wall: 5151.99, 0.00312819/step, 2.94762 hours remaining, 232.773438 MB of memory in use. ENERGY: 1607800 4091.6324 20458.4963 14534.0312 243.5956 -203311.9663 2531.6583 0.0000 0.0000 52177.8704 -109274.6821 299.8669 -161452.5524 -108917.4224 299.5647 -124.9085 -97.1210 762645.8124 -10.6716 -10.6251 PRESSURE: 1608000 -0.598153 41.5442 191.846 41.5446 -269.307 23.4457 191.846 23.446 -311.694 GPRESSURE: 1608000 -35.4967 12.2274 276.481 -114.78 -220.348 -3.25599 128.63 56.1377 -235.649 PRESSAVG: 1608000 36.1524 -16.9758 31.1061 -16.9758 -74.3632 19.9106 31.1061 19.9107 0.880708 GPRESSAVG: 1608000 36.3406 -14.8076 30.4169 -19.4495 -73.7763 20.6042 31.8896 19.9179 0.288475 TIMING: 1608000 CPU: 5152.62, 0.0031434/step Wall: 5152.62, 0.0031434/step, 2.96178 hours remaining, 232.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1608000 4001.3813 20485.5356 14560.1481 236.5808 -203047.5261 2309.4557 0.0000 0.0000 52145.6571 -109308.7674 299.6818 -161454.4245 -108926.2733 299.3627 -193.8663 -163.8315 763878.0622 -12.4433 -12.3824 PRESSURE: 1608200 -43.5814 -221.979 195.207 -221.98 49.7198 89.1069 195.206 89.1069 -178.391 GPRESSURE: 1608200 -73.1976 -174.669 124.311 -121.252 76.7743 110.01 221.341 -21.1172 -64.1369 PRESSAVG: 1608200 46.9578 -44.8633 99.0742 -44.8632 -104.398 12.6088 99.0742 12.6087 4.39747 GPRESSAVG: 1608200 47.2167 -46.2758 100.81 -42.8912 -105.293 12.9189 99.2922 11.914 5.15533 TIMING: 1608200 CPU: 5153.24, 0.00313568/step Wall: 5153.24, 0.00313568/step, 2.95433 hours remaining, 232.773438 MB of memory in use. ENERGY: 1608200 3993.2946 20518.3662 14508.9192 243.6372 -203292.4628 2741.3948 0.0000 0.0000 51977.8883 -109308.9626 298.7176 -161286.8509 -108947.5751 299.1865 -57.4174 -20.1867 763934.9957 -17.6808 -17.6402 LDB: ============= START OF LOAD BALANCING ============== 5165.66 LDB: ============== END OF LOAD BALANCING =============== 5165.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5165.67 LDB: ============= START OF LOAD BALANCING ============== 5165.98 LDB: Largest compute 7078 load 0.035083 is 18.0% of average load 0.195358 LDB: Average compute 0.004401 is 2.3% of average load 0.195358 LDB: TIME 5165.98 LOAD: AVG 0.195358 MAX 0.213927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 5165.98 LOAD: AVG 0.195358 MAX 0.213927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.105 MB LDB: TIME 5165.98 LOAD: AVG 0.195358 MAX 0.213927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.105 MB LDB: ============== END OF LOAD BALANCING =============== 5165.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5165.99 PRESSURE: 1608400 39.2813 314.923 -49.7993 314.923 -424.411 24.3072 -49.7999 24.3064 -368.541 GPRESSURE: 1608400 91.4092 209.716 28.7158 273.6 -370.62 -78.6531 13.5265 92.9513 -373.261 PRESSAVG: 1608400 6.52713 -35.8712 7.56367 -35.8712 -33.5173 -5.15025 7.56367 -5.15021 12.4537 GPRESSAVG: 1608400 7.23709 -35.9807 8.2685 -36.7173 -33.5745 -7.04218 4.88555 -5.05917 11.8648 TIMING: 1608400 CPU: 5153.88, 0.00319798/step Wall: 5153.88, 0.00319798/step, 3.01285 hours remaining, 230.988281 MB of memory in use. ENERGY: 1608400 4046.2251 20605.8146 14473.8551 243.3040 -202998.3496 2438.6546 0.0000 0.0000 52048.8865 -109141.6097 299.1257 -161190.4961 -108779.3008 299.4308 -251.2233 -217.4904 762846.2312 -4.8455 -4.8242 PRESSURE: 1608600 196.871 -347.91 -99.4728 -347.911 157.084 -1.9521 -99.4727 -1.95206 -140.8 GPRESSURE: 1608600 239.628 -303.262 -137.89 -217.651 138.626 -55.4844 -35.0701 150.61 -92.3502 PRESSAVG: 1608600 -8.20216 -95.6866 24.7558 -95.6866 -36.6767 -48.4805 24.7559 -48.4806 -15.779 GPRESSAVG: 1608600 -8.4987 -97.4795 24.0568 -94.3668 -36.2765 -47.0122 26.4993 -48.0495 -16.1721 TIMING: 1608600 CPU: 5154.51, 0.00311986/step Wall: 5154.51, 0.00311986/step, 2.93909 hours remaining, 230.988281 MB of memory in use. ENERGY: 1608600 4020.7674 20747.9473 14550.3471 265.4844 -203623.1083 2753.5624 0.0000 0.0000 52137.7693 -109147.2305 299.6365 -161284.9998 -108784.6319 299.9838 71.0517 95.3014 760540.2573 -20.2193 -20.3158 PRESSURE: 1608800 -40.5045 -86.0653 -148.546 -86.0653 -116.144 302.568 -148.547 302.567 -264.6 GPRESSURE: 1608800 -16.545 28.9823 -198.101 -28.241 -152.465 251.202 -205.612 344.901 -152.316 PRESSAVG: 1608800 49.1867 -37.5276 9.62169 -37.5277 4.72319 -18.904 9.62175 -18.9039 -2.13251 GPRESSAVG: 1608800 49.7475 -34.7036 8.5321 -38.0216 4.03367 -21.7423 10.5342 -17.8778 -1.63093 TIMING: 1608800 CPU: 5155.14, 0.00313719/step Wall: 5155.14, 0.00313719/step, 2.95524 hours remaining, 230.988281 MB of memory in use. ENERGY: 1608800 4002.5724 20555.9032 14453.7351 276.9081 -203319.1031 2513.9086 0.0000 0.0000 52138.1603 -109377.9154 299.6387 -161516.0757 -109006.6302 299.8214 -140.4161 -107.1084 762265.3589 17.2591 17.3834 PRESSURE: 1609000 -252.042 -104.65 -216.004 -104.649 -166.112 -112.95 -216.004 -112.95 102.268 GPRESSURE: 1609000 -253.124 -24.0499 -158.527 -88.2804 -131.868 -231.105 -227.167 -74.4367 160.157 PRESSAVG: 1609000 15.5448 -63.9525 -0.507382 -63.9524 -14.9555 23.0318 -0.507468 23.0317 5.07645 GPRESSAVG: 1609000 16.5215 -62.6458 0.24829 -65.2272 -16.2196 25.8239 -3.30846 21.2118 4.98559 TIMING: 1609000 CPU: 5155.77, 0.00315138/step Wall: 5155.77, 0.00315138/step, 2.96842 hours remaining, 230.988281 MB of memory in use. ENERGY: 1609000 4072.5100 20596.8393 14456.3050 250.1907 -203404.6049 2748.4826 0.0000 0.0000 52016.5653 -109263.7119 298.9399 -161280.2772 -108905.5919 299.8935 -105.2952 -74.9450 762065.5921 1.8886 1.7625 PRESSURE: 1609200 331.098 -219.314 -11.7353 -219.314 -61.857 128.383 -11.7354 128.383 -57.3187 GPRESSURE: 1609200 253.729 -279.704 33.3562 -144.829 52.7329 61.0778 -142.48 263.204 -15.5191 PRESSAVG: 1609200 -6.34594 -49.8238 11.8114 -49.8238 4.51904 -3.26741 11.8114 -3.26745 -30.6481 GPRESSAVG: 1609200 -7.93988 -52.3415 12.6088 -47.4318 5.57434 -5.49207 14.0412 -0.450883 -30.1613 TIMING: 1609200 CPU: 5156.4, 0.00314603/step Wall: 5156.4, 0.00314603/step, 2.96321 hours remaining, 230.988281 MB of memory in use. ENERGY: 1609200 3908.9432 20565.4822 14452.5910 266.0620 -202891.7149 2393.5481 0.0000 0.0000 51978.0339 -109327.0544 298.7185 -161305.0883 -108956.7033 299.2378 70.6407 96.9809 762201.2026 -10.8250 -10.8423 PRESSURE: 1609400 -70.0672 -28.3295 -51.659 -28.3299 -141.959 -228.676 -51.6593 -228.677 129.519 GPRESSURE: 1609400 -35.7824 22.2649 -16.5453 18.3278 -104.884 -250.605 -121.95 -222.559 159.352 PRESSAVG: 1609400 6.10774 -25.9903 40.9856 -25.9904 12.768 -19.1251 40.9858 -19.1253 -12.3252 GPRESSAVG: 1609400 6.17771 -25.47 40.2109 -26.1491 13.0792 -18.1611 40.9736 -22.7763 -12.3703 TIMING: 1609400 CPU: 5157.02, 0.00312042/step Wall: 5157.02, 0.00312042/step, 2.93892 hours remaining, 230.988281 MB of memory in use. ENERGY: 1609400 3987.9996 20669.1829 14516.5406 242.0031 -203393.7351 2862.3199 0.0000 0.0000 51801.1556 -109314.5333 297.7020 -161115.6889 -108964.1558 299.2490 -27.5021 6.2285 762695.2824 2.1835 2.2955 PRESSURE: 1609600 202.113 39.7366 -384.214 39.7373 9.33305 -116.13 -384.213 -116.13 271.966 GPRESSURE: 1609600 245.048 54.6337 -287.737 -54.6858 72.4055 -68.3785 -308.245 -82.4464 251.399 PRESSAVG: 1609600 13.6868 -46.0189 8.61168 -46.0189 -24.3824 -22.0872 8.61156 -22.0871 -7.07763 GPRESSAVG: 1609600 15.5163 -46.6298 10.4498 -47.0056 -24.755 -21.0849 7.90294 -20.9871 -8.13448 TIMING: 1609600 CPU: 5157.65, 0.00314472/step Wall: 5157.65, 0.00314472/step, 2.96163 hours remaining, 230.988281 MB of memory in use. ENERGY: 1609600 4058.5389 20605.5198 14531.5311 239.5239 -203541.9514 2815.9508 0.0000 0.0000 51928.8345 -109362.0525 298.4357 -161290.8870 -109006.5297 299.6252 161.1374 189.6174 761768.0254 -5.9244 -5.7911 PRESSURE: 1609800 137.705 26.476 175.238 26.4765 -314.414 74.7887 175.239 74.7896 101.628 GPRESSURE: 1609800 92.0699 1.26322 171.077 99.5881 -229.32 112.548 167.401 51.695 139.629 PRESSAVG: 1609800 24.9287 -27.1209 67.2705 -27.1209 -49.1915 4.27279 67.2705 4.27285 3.76281 GPRESSAVG: 1609800 23.9786 -28.1725 65.9442 -24.6426 -49.3853 3.96925 66.9435 3.19169 4.85136 TIMING: 1609800 CPU: 5158.27, 0.00313402/step Wall: 5158.27, 0.00313402/step, 2.95138 hours remaining, 230.988281 MB of memory in use. ENERGY: 1609800 4038.7671 20574.7341 14427.9813 229.6162 -203304.9707 2369.8663 0.0000 0.0000 52028.9509 -109635.0548 299.0111 -161664.0057 -109284.1502 299.2576 -25.0271 0.7931 762103.1327 -6.8333 -6.8518 PRESSURE: 1610000 226.118 90.5535 299.681 90.5533 -231.476 -32.0276 299.681 -32.0278 165.268 GPRESSURE: 1610000 230.407 24.4094 313.187 14.083 -51.2451 -11.4642 396.566 99.4181 100.364 PRESSAVG: 1610000 95.3266 -59.1728 29.6431 -59.1727 -53.5634 21.6766 29.6431 21.6767 6.2177 GPRESSAVG: 1610000 93.9811 -60.1826 28.6022 -59.7306 -52.2 21.9791 29.6487 23.7039 6.10202 TIMING: 1610000 CPU: 5158.9, 0.00314889/step Wall: 5158.9, 0.00314889/step, 2.9652 hours remaining, 230.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1610000 4015.1600 20320.0979 14470.7892 238.5093 -203057.1907 2540.5651 0.0000 0.0000 51938.1495 -109533.9196 298.4893 -161472.0691 -109165.7597 298.7489 53.3033 93.1751 761677.7549 15.9937 15.9610 PRESSURE: 1610200 247.503 -44.9271 -193.046 -44.9274 84.7469 28.1931 -193.045 28.1937 33.1487 GPRESSURE: 1610200 258.934 -59.042 -129.48 -150.271 48.7106 2.42367 -163.984 -113.03 153.714 PRESSAVG: 1610200 19.5131 -24.7464 2.03854 -24.7463 1.75621 -2.52066 2.03854 -2.52071 -19.2072 GPRESSAVG: 1610200 20.8251 -22.288 3.4183 -29.0137 0.147809 -3.03375 3.07221 -2.89504 -19.5247 TIMING: 1610200 CPU: 5159.53, 0.00314225/step Wall: 5159.53, 0.00314225/step, 2.95878 hours remaining, 230.988281 MB of memory in use. ENERGY: 1610200 3913.2933 20554.4721 14439.3177 247.6506 -203209.5568 2497.9304 0.0000 0.0000 52097.8835 -109459.0091 299.4073 -161556.8926 -109105.0802 299.0683 121.7996 153.7861 760909.8649 0.6874 0.4827 PRESSURE: 1610400 -135.481 -39.2925 -6.31431 -39.2926 -0.543498 152.224 -6.31387 152.224 362.19 GPRESSURE: 1610400 -101.145 -85.6671 52.3359 -18.873 30.0295 178.048 -113.334 242.919 379.743 PRESSAVG: 1610400 64.927 -64.2317 39.9576 -64.2316 -61.4901 -61.4176 39.9576 -61.4177 29.1046 GPRESSAVG: 1610400 64.286 -65.4437 39.7866 -62.3819 -61.2933 -62.6396 37.5197 -60.0266 29.6566 TIMING: 1610400 CPU: 5160.16, 0.00312893/step Wall: 5160.16, 0.00312893/step, 2.94606 hours remaining, 230.988281 MB of memory in use. ENERGY: 1610400 3919.3868 20566.5481 14497.5966 249.5238 -203183.3207 2593.5108 0.0000 0.0000 51790.4517 -109566.3028 297.6404 -161356.7545 -109206.9746 298.4680 75.3882 102.8760 761726.0455 10.8472 10.8831 PRESSURE: 1610600 81.9811 55.6388 7.80733 55.6379 333.827 -29.2592 7.80758 -29.2578 169.737 GPRESSURE: 1610600 184.351 69.2811 21.8445 24.6716 331.115 22.8693 5.3271 20.1584 171.005 PRESSAVG: 1610600 -22.324 -58.2889 -26.8813 -58.2889 55.1572 -63.6078 -26.8813 -63.6077 1.67993 GPRESSAVG: 1610600 -22.3625 -56.0775 -26.7413 -58.662 55.5773 -61.9184 -26.1951 -66.0892 1.28008 TIMING: 1610600 CPU: 5160.79, 0.00313893/step Wall: 5160.79, 0.00313893/step, 2.9553 hours remaining, 230.988281 MB of memory in use. ENERGY: 1610600 3975.9998 20361.3490 14512.1696 245.4798 -203614.0413 2921.2175 0.0000 0.0000 51934.9987 -109662.8271 298.4712 -161597.8258 -109302.4715 299.0462 195.1817 228.8236 760443.7666 11.5044 11.4983 PRESSURE: 1610800 39.0984 -47.3504 71.9477 -47.3505 130.971 198.534 71.9488 198.534 434.513 GPRESSURE: 1610800 145.75 -57.8178 28.3084 -7.10016 162.043 187.562 76.9862 227.613 382.841 PRESSAVG: 1610800 37.1418 -70.0981 33.6028 -70.0981 -12.3289 -14.7512 33.6028 -14.7512 2.88446 GPRESSAVG: 1610800 36.6152 -73.5814 32.4636 -67.6998 -12.2098 -14.9849 35.7763 -13.1749 3.39764 TIMING: 1610800 CPU: 5161.41, 0.00313795/step Wall: 5161.41, 0.00313795/step, 2.95421 hours remaining, 230.988281 MB of memory in use. ENERGY: 1610800 4060.8528 20462.6445 14459.8439 257.2870 -203604.5585 2722.0605 0.0000 0.0000 52017.5299 -109624.3399 298.9455 -161641.8698 -109276.0699 298.4610 201.5275 230.2113 762794.4008 9.2324 9.2677 PRESSURE: 1611000 -127.338 122.766 187.21 122.766 -262.872 -304.359 187.211 -304.359 -244.011 GPRESSURE: 1611000 -119.833 -5.20665 168.012 116.567 -255.132 -234.383 98.1103 -302.482 -194.761 PRESSAVG: 1611000 -33.4125 -44.6352 66.7091 -44.6352 36.8908 -33.9059 66.7091 -33.9059 -3.60239 GPRESSAVG: 1611000 -32.236 -41.8919 66.4418 -46.6105 36.7014 -34.9078 64.0572 -36.2231 -4.04243 TIMING: 1611000 CPU: 5162.04, 0.00313896/step Wall: 5162.04, 0.00313896/step, 2.95498 hours remaining, 230.988281 MB of memory in use. ENERGY: 1611000 3969.2191 20535.9747 14460.8525 258.9637 -203145.0945 2417.8269 0.0000 0.0000 51874.1882 -109628.0695 298.1217 -161502.2576 -109267.4145 298.7555 -211.4070 -189.9087 763941.4694 -0.0414 0.1410 PRESSURE: 1611200 -228.237 -84.3795 -93.3051 -84.3799 -115.149 -225.348 -93.3036 -225.348 -212.54 GPRESSURE: 1611200 -151.156 -54.4279 -63.0424 -117.381 -109.599 -272.263 -69.706 -162.017 -200.092 PRESSAVG: 1611200 72.1034 -45.8291 -0.713733 -45.8291 -30.9463 -22.0713 -0.7137 -22.0712 -12.1409 GPRESSAVG: 1611200 71.2122 -46.4064 -1.35815 -45.9635 -29.5352 -21.7302 0.457672 -20.7546 -12.3894 TIMING: 1611200 CPU: 5162.67, 0.00312912/step Wall: 5162.67, 0.00312912/step, 2.94554 hours remaining, 230.988281 MB of memory in use. ENERGY: 1611200 3968.5817 20457.9956 14528.6794 250.0332 -203048.9573 2279.5570 0.0000 0.0000 51876.8958 -109687.2147 298.1372 -161564.1104 -109329.8684 298.6832 -185.3085 -153.6157 761535.6086 9.6720 9.7625 PRESSURE: 1611400 -216.864 0.59462 111.521 0.594475 -130.043 26.0047 111.522 26.006 18.0753 GPRESSURE: 1611400 -175.376 -123.133 73.873 86.0922 -95.9454 -29.859 34.5495 101.017 39.0302 PRESSAVG: 1611400 -1.89724 -78.8138 34.2835 -78.8138 5.62234 -4.87682 34.2835 -4.87676 2.76227 GPRESSAVG: 1611400 -2.2139 -80.8773 33.8887 -78.2666 4.62561 -5.20262 35.6421 -2.7179 3.91079 TIMING: 1611400 CPU: 5163.3, 0.00313818/step Wall: 5163.3, 0.00313818/step, 2.9539 hours remaining, 230.988281 MB of memory in use. ENERGY: 1611400 3979.5993 20355.4101 14495.4532 242.7036 -202897.8250 2134.0576 0.0000 0.0000 52158.8440 -109531.7571 299.7576 -161690.6012 -109162.4823 298.8339 -109.6108 -77.4303 762529.9828 2.1625 2.1075 PRESSURE: 1611600 -265.908 -115.285 196.857 -115.285 -213.164 -94.4875 196.857 -94.4869 131.14 GPRESSURE: 1611600 -204.748 -33.222 317.503 -135.04 -167.783 -115.094 34.4582 54.2393 120.442 PRESSAVG: 1611600 -19.1768 -82.7991 3.76826 -82.799 -13.1068 40.8461 3.76823 40.8461 -1.72167 GPRESSAVG: 1611600 -18.4985 -81.8693 6.35356 -80.5459 -13.2402 40.9275 2.11222 40.2133 -2.35863 TIMING: 1611600 CPU: 5163.93, 0.00315018/step Wall: 5163.93, 0.00315018/step, 2.96502 hours remaining, 230.988281 MB of memory in use. ENERGY: 1611600 3998.5698 20423.1063 14478.4353 249.0311 -203325.3298 2515.9670 0.0000 0.0000 52412.8336 -109247.3866 301.2173 -161660.2202 -108881.7666 299.7159 -115.9774 -84.0297 761381.4466 -11.3351 -11.3658 PRESSURE: 1611800 -65.5654 -171.428 -86.0209 -171.428 -96.8784 -40.5585 -86.0203 -40.559 -43.6585 GPRESSURE: 1611800 -19.412 -144.626 -146.113 -38.9402 -52.6242 -0.903842 -46.0021 -32.6681 -16.9124 PRESSAVG: 1611800 -32.5834 -52.2756 -13.2068 -52.2757 62.4938 -22.7475 -13.2067 -22.7475 -14.8007 GPRESSAVG: 1611800 -31.7903 -52.3154 -15.0756 -54.4617 62.1536 -21.8876 -12.603 -23.8416 -14.956 TIMING: 1611800 CPU: 5164.55, 0.00313863/step Wall: 5164.55, 0.00313863/step, 2.95397 hours remaining, 230.988281 MB of memory in use. ENERGY: 1611800 3999.4567 20385.2056 14442.5120 249.7822 -203154.1838 2704.0791 0.0000 0.0000 51989.0034 -109384.1448 298.7815 -161373.1482 -109027.8726 299.8910 -68.7008 -29.6495 761971.7469 5.0366 5.1358 PRESSURE: 1612000 -126.944 33.581 46.9471 33.5816 -168.982 278.523 46.947 278.523 -481.185 GPRESSURE: 1612000 -119.638 109.259 -80.5612 50.9864 -140.24 244.464 12.7634 262.136 -409.267 PRESSAVG: 1612000 4.72038 -4.97076 -16.2599 -4.97074 -3.6008 -14.2454 -16.2599 -14.2454 16.4033 GPRESSAVG: 1612000 5.30115 -5.53823 -16.6805 -3.44762 -3.47647 -13.7843 -14.5755 -16.3926 15.8224 TIMING: 1612000 CPU: 5165.18, 0.00313318/step Wall: 5165.18, 0.00313318/step, 2.94867 hours remaining, 230.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1612000 3997.4562 20435.7762 14526.1110 284.3732 -203110.8640 2575.7964 0.0000 0.0000 51929.3530 -109361.9979 298.4387 -161291.3510 -109017.1904 299.1489 -259.0367 -223.0482 763291.1489 5.8410 5.8823 PRESSURE: 1612200 -86.8199 22.739 -64.1286 22.7395 54.2809 -162.091 -64.1285 -162.09 -68.3917 GPRESSURE: 1612200 41.7302 49.6954 -128.655 -81.545 14.7469 -213.118 57.6324 -137.629 -73.3064 PRESSAVG: 1612200 6.76683 -18.6383 28.6736 -18.6382 1.52822 29.3566 28.6736 29.3566 7.57655 GPRESSAVG: 1612200 6.93104 -15.5426 29.7657 -23.1052 1.6 30.4143 27.4653 28.6278 7.42271 TIMING: 1612200 CPU: 5165.8, 0.00312491/step Wall: 5165.8, 0.00312491/step, 2.94071 hours remaining, 230.988281 MB of memory in use. ENERGY: 1612200 3954.5528 20469.0573 14345.2397 250.0510 -203067.4299 2547.7211 0.0000 0.0000 52070.5935 -109430.2145 299.2504 -161500.8079 -109068.1553 298.7772 -33.6436 -5.6098 762651.6179 5.2905 5.3179 LDB: ============= START OF LOAD BALANCING ============== 5178.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5178.23 LDB: =============== DONE WITH MIGRATION ================ 5178.23 LDB: ============= START OF LOAD BALANCING ============== 5178.54 LDB: Largest compute 7031 load 0.035021 is 17.9% of average load 0.195347 LDB: Average compute 0.004408 is 2.3% of average load 0.195347 LDB: TIME 5178.55 LOAD: AVG 0.195347 MAX 0.212448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.301 MB LDB: TIME 5178.55 LOAD: AVG 0.195347 MAX 0.212448 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: TIME 5178.55 LOAD: AVG 0.195347 MAX 0.212448 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.34 MB LDB: ============== END OF LOAD BALANCING =============== 5178.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5178.55 PRESSURE: 1612400 77.365 -187.895 -66.7492 -187.895 -20.735 -11.3643 -66.749 -11.3653 -102.493 GPRESSURE: 1612400 110.815 -124.266 -73.9537 -118.624 49.9715 -3.90403 -34.6588 50.8795 -119.51 PRESSAVG: 1612400 -2.61934 -64.8332 12.5588 -64.8333 9.31982 75.6474 12.5588 75.6474 17.4689 GPRESSAVG: 1612400 -3.35204 -68.1444 12.6286 -61.5338 10.5266 74.4957 11.4757 78.2767 16.7225 TIMING: 1612400 CPU: 5166.45, 0.00321255/step Wall: 5166.45, 0.00321255/step, 3.02301 hours remaining, 232.269531 MB of memory in use. ENERGY: 1612400 3992.2041 20357.9197 14467.7168 253.7107 -202826.9274 2289.0523 0.0000 0.0000 51959.3189 -109507.0049 298.6109 -161466.3238 -109145.0414 298.7084 -15.2875 13.7589 763415.7131 8.0565 7.9657 PRESSURE: 1612600 -114.255 -107.985 123.005 -107.985 -161.028 -96.8189 123.005 -96.8191 -223.523 GPRESSURE: 1612600 -185.335 -119.852 202.61 -123.256 -13.6382 20.5038 240.83 -142.696 -216.327 PRESSAVG: 1612600 27.6927 -75.3631 12.6797 -75.3632 0.696153 -49.5699 12.6797 -49.57 -0.0206442 GPRESSAVG: 1612600 26.9089 -73.7274 11.9297 -75.6557 0.528303 -49.3499 14.6917 -50.8072 0.629815 TIMING: 1612600 CPU: 5167.07, 0.00312165/step Wall: 5167.07, 0.00312165/step, 2.9373 hours remaining, 232.269531 MB of memory in use. ENERGY: 1612600 3930.8710 20590.8264 14457.3833 233.2123 -203318.8732 2465.4980 0.0000 0.0000 52163.4622 -109477.6200 299.7841 -161641.0823 -109109.5028 299.3418 -166.2688 -138.4331 762719.6834 9.4561 9.3557 PRESSURE: 1612800 -199.954 76.4593 184.943 76.4598 12.058 189.703 184.943 189.704 -78.6575 GPRESSURE: 1612800 -165.45 -19.9107 178.931 86.0014 44.6019 129.091 96.4095 267.512 -75.7369 PRESSAVG: 1612800 53.2221 -71.6072 51.1022 -71.6071 -64.5776 0.530559 51.1022 0.53055 -18.87 GPRESSAVG: 1612800 54.7892 -71.3974 50.5523 -72.5554 -66.3748 -1.45539 50.2654 2.5956 -18.3639 TIMING: 1612800 CPU: 5167.7, 0.00313287/step Wall: 5167.7, 0.00313287/step, 2.94768 hours remaining, 232.269531 MB of memory in use. ENERGY: 1612800 3962.3514 20617.3902 14481.2256 245.2477 -203394.6242 2527.4159 0.0000 0.0000 52021.4577 -109539.5357 298.9680 -161560.9934 -109184.5057 299.2016 -88.8511 -65.5283 762788.4592 -10.0752 -9.9832 PRESSURE: 1613000 -177.282 32.9475 138.281 32.9482 -23.9763 28.3466 138.282 28.3462 86.5661 GPRESSURE: 1613000 -107.488 -23.0835 36.3157 84.0122 -18.0514 56.4052 116.588 -13.9046 94.0391 PRESSAVG: 1613000 7.08632 -75.7133 15.4819 -75.7134 -7.79844 11.9002 15.4819 11.9003 13.8786 GPRESSAVG: 1613000 6.82712 -78.4872 14.8938 -73.5054 -6.45873 13.3125 15.1271 10.5704 12.1451 TIMING: 1613000 CPU: 5168.32, 0.00312851/step Wall: 5168.32, 0.00312851/step, 2.9434 hours remaining, 232.269531 MB of memory in use. ENERGY: 1613000 4021.8465 20357.1560 14452.5987 249.7086 -203418.7046 2492.7031 0.0000 0.0000 52172.6232 -109672.0685 299.8368 -161844.6917 -109297.3705 298.8409 -38.2307 -10.5000 762735.3792 4.3888 4.1712 PRESSURE: 1613200 32.4625 -188.539 -16.3393 -188.539 -24.5061 105.114 -16.3389 105.113 -181.937 GPRESSURE: 1613200 91.3823 0.749124 -101.032 -228.792 4.25246 74.6772 -43.4305 171.231 -182.67 PRESSAVG: 1613200 4.55859 -56.0348 13.0028 -56.0347 35.1907 8.81589 13.0028 8.81586 14.364 GPRESSAVG: 1613200 4.30493 -53.7145 15.199 -56.8188 34.8394 6.84879 13.0898 9.08392 14.9845 TIMING: 1613200 CPU: 5168.95, 0.00313157/step Wall: 5168.95, 0.00313157/step, 2.94611 hours remaining, 232.269531 MB of memory in use. ENERGY: 1613200 4035.5684 20411.1635 14528.1949 246.0703 -203462.0475 2587.6663 0.0000 0.0000 51940.0480 -109713.3361 298.5002 -161653.3841 -109365.3793 298.8235 -57.9936 -29.0116 762522.5746 18.0378 18.0429 PRESSURE: 1613400 77.7936 -89.5818 93.1656 -89.5816 63.5695 12.7507 93.1662 12.7505 284.163 GPRESSURE: 1613400 103.829 -43.7721 156.998 -97.451 188.572 69.5452 191.042 151.288 219.035 PRESSAVG: 1613400 61.5099 -30.0517 11.8206 -30.0517 -39.4437 -18.5481 11.8205 -18.5481 2.944 GPRESSAVG: 1613400 62.5404 -29.6935 12.1141 -30.1877 -41.5489 -15.412 12.3674 -18.3976 3.4498 TIMING: 1613400 CPU: 5169.57, 0.00311421/step Wall: 5169.57, 0.00311421/step, 2.92961 hours remaining, 232.269531 MB of memory in use. ENERGY: 1613400 4012.2396 20268.2540 14497.1405 223.1820 -203329.7573 2678.9834 0.0000 0.0000 51994.4358 -109655.5219 298.8127 -161649.9577 -109279.9355 298.5600 141.8419 170.4784 762750.7613 8.3367 8.1471 PRESSURE: 1613600 -10.5673 -95.583 148.699 -95.5824 -359.274 148.54 148.699 148.54 1.54492 GPRESSURE: 1613600 2.70669 -108.252 71.9007 -141.178 -237.919 85.8936 150.539 21.309 -14.3676 PRESSAVG: 1613600 13.6943 47.3057 15.9362 47.3057 17.4179 29.5721 15.9361 29.5721 19.7029 GPRESSAVG: 1613600 13.3157 45.57 16.9823 47.3725 18.6638 27.3301 17.1248 29.5575 19.093 TIMING: 1613600 CPU: 5170.2, 0.00314583/step Wall: 5170.2, 0.00314583/step, 2.95918 hours remaining, 232.269531 MB of memory in use. ENERGY: 1613600 3997.0615 20377.0689 14530.8466 262.4855 -203471.0578 2535.8324 0.0000 0.0000 52219.4814 -109548.2815 300.1061 -161767.7629 -109184.9277 299.0882 -122.7653 -83.1933 760085.4972 16.9384 17.0241 PRESSURE: 1613800 249.046 -5.64584 -34.0878 -5.6472 -328.954 -90.9027 -34.0885 -90.9031 -68.6418 GPRESSURE: 1613800 225.803 -23.9716 -4.26708 74.9469 -311.717 -133.857 -83.5026 -121.57 5.15228 PRESSAVG: 1613800 8.15051 -30.6313 23.8139 -30.6313 26.8239 7.82284 23.8139 7.82298 35.8256 GPRESSAVG: 1613800 7.4232 -31.1928 23.4895 -30.1201 26.8118 8.5176 22.0955 9.32858 36.3466 TIMING: 1613800 CPU: 5170.83, 0.00316075/step Wall: 5170.83, 0.00316075/step, 2.97304 hours remaining, 232.269531 MB of memory in use. ENERGY: 1613800 3968.6549 20616.1850 14497.8009 260.2282 -203360.0711 2593.9422 0.0000 0.0000 51925.0252 -109498.2347 298.4138 -161423.2600 -109136.5773 299.3067 -49.5166 -26.9206 762263.0650 23.6000 23.5272 PRESSURE: 1614000 -118.233 -72.5107 95.9281 -72.5112 -222.346 -43.7815 95.9277 -43.7826 339.232 GPRESSURE: 1614000 -132.239 64.8765 83.8424 -77.6547 -148.254 -28.8744 29.2215 -36.0518 357.447 PRESSAVG: 1614000 21.1912 -24.5473 20.6597 -24.5473 -21.2804 -57.6981 20.6598 -57.6981 -15.9309 GPRESSAVG: 1614000 21.3311 -22.3418 19.8817 -25.7522 -21.1831 -59.139 20.5981 -58.1233 -16.0532 TIMING: 1614000 CPU: 5171.46, 0.00314265/step Wall: 5171.46, 0.00314265/step, 2.95584 hours remaining, 232.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1614000 4055.4594 20525.9223 14513.3946 263.4049 -203502.8395 2607.3095 0.0000 0.0000 52040.5480 -109496.8008 299.0777 -161537.3488 -109139.4370 298.6987 -0.4488 25.6512 761250.9019 -5.3400 -5.3018 PRESSURE: 1614200 -295.679 96.8786 -43.197 96.8776 -532.041 -73.5741 -43.1974 -73.5745 -300.127 GPRESSURE: 1614200 -193.083 84.6739 -79.5851 -27.3751 -523.151 -47.0956 -21.4409 10.6539 -301.792 PRESSAVG: 1614200 35.6266 -73.8637 74.9527 -73.8637 0.32803 -36.4926 74.9528 -36.4927 -4.73584 GPRESSAVG: 1614200 35.6757 -75.1786 72.8001 -72.6031 0.177423 -34.0975 74.3272 -36.7255 -4.40641 TIMING: 1614200 CPU: 5172.09, 0.00314304/step Wall: 5172.09, 0.00314304/step, 2.95603 hours remaining, 232.269531 MB of memory in use. ENERGY: 1614200 3995.3874 20357.7766 14532.0885 249.3439 -203039.2394 2191.2755 0.0000 0.0000 52071.4487 -109641.9189 299.2553 -161713.3676 -109278.0356 298.6700 -375.9492 -339.3422 763292.8270 10.4063 10.4822 PRESSURE: 1614400 -1.43875 -72.4753 -19.892 -72.4747 -65.6178 301.409 -19.8915 301.408 -69.3083 GPRESSURE: 1614400 -37.3266 -95.8929 -4.72337 -104.768 -20.2822 211.1 -185.519 162.638 9.50033 PRESSAVG: 1614400 -13.7451 -62.7481 -28.2771 -62.7481 -2.71468 -24.7691 -28.2771 -24.7692 22.721 GPRESSAVG: 1614400 -13.94 -63.2297 -24.9586 -63.9786 -2.4921 -26.6461 -28.5821 -23.3368 23.2122 TIMING: 1614400 CPU: 5172.72, 0.00315811/step Wall: 5172.72, 0.00315811/step, 2.97003 hours remaining, 232.269531 MB of memory in use. ENERGY: 1614400 3947.4597 20512.5592 14491.4635 248.3067 -203165.3175 2221.3429 0.0000 0.0000 52165.4996 -109578.6860 299.7958 -161744.1855 -109220.6761 298.7918 -45.4549 -16.0362 762274.2011 2.0871 2.2601 PRESSURE: 1614600 60.9602 -27.1316 -82.0629 -27.132 40.7519 -100.884 -82.0619 -100.885 314.807 GPRESSURE: 1614600 130.215 43.3245 -78.6091 55.1573 155.536 -78.7146 53.8551 -96.7961 213.467 PRESSAVG: 1614600 14.341 -20.1659 -7.45395 -20.1658 -3.67982 23.9571 -7.45386 23.957 6.3589 GPRESSAVG: 1614600 14.9364 -18.4653 -9.59225 -19.1421 -4.44686 24.0062 -6.5017 22.2827 6.18786 TIMING: 1614600 CPU: 5173.35, 0.00314995/step Wall: 5173.35, 0.00314995/step, 2.96218 hours remaining, 232.269531 MB of memory in use. ENERGY: 1614600 3973.2674 20477.1622 14547.9635 232.3408 -203123.5394 2399.5067 0.0000 0.0000 51869.2822 -109624.0164 298.0935 -161493.2986 -109266.1829 298.6261 138.8396 166.4058 762003.0889 5.6734 5.5591 PRESSURE: 1614800 -283.272 167.146 -3.09719 167.146 343.795 -16.0712 -3.0978 -16.0715 -4.02553 GPRESSURE: 1614800 -261.899 -107.814 19.7718 30.2336 392.017 -48.3188 -114.898 -17.8696 34.4828 PRESSAVG: 1614800 -23.3402 -52.4374 50.5164 -52.4374 -14.7818 37.4815 50.5163 37.4816 2.6695 GPRESSAVG: 1614800 -24.3004 -52.5592 51.5073 -53.6704 -13.6905 40.2092 49.9089 34.3659 3.2713 TIMING: 1614800 CPU: 5173.98, 0.00312444/step Wall: 5173.98, 0.00312444/step, 2.93801 hours remaining, 232.269531 MB of memory in use. ENERGY: 1614800 3968.6668 20538.4372 14433.6311 256.5127 -203728.4625 2723.1889 0.0000 0.0000 52048.4694 -109759.5564 299.1233 -161808.0258 -109394.5474 298.4575 18.8324 54.8670 760935.1696 -11.8175 -11.5732 PRESSURE: 1615000 291.865 139.532 -29.0287 139.532 29.6425 -43.6628 -29.028 -43.6639 87.4066 GPRESSURE: 1615000 235.972 180.908 32.8535 137.915 130.805 -46.8855 -157.831 -115.769 124.099 PRESSAVG: 1615000 11.4798 -21.5114 17.1109 -21.5114 -30.1595 9.24979 17.1109 9.24982 -5.9099 GPRESSAVG: 1615000 11.5153 -22.9185 17.3192 -20.0161 -30.7067 6.05023 14.6174 14.6282 -5.53968 TIMING: 1615000 CPU: 5174.6, 0.00312969/step Wall: 5174.6, 0.0031297/step, 2.94278 hours remaining, 232.269531 MB of memory in use. ENERGY: 1615000 3886.6891 20291.8916 14521.7963 248.9216 -203754.3458 2832.0707 0.0000 0.0000 51892.1923 -110080.7843 298.2251 -161972.9766 -109711.1498 297.7638 136.3046 163.6253 761024.8931 -8.1965 -8.2437 PRESSURE: 1615200 -40.7865 50.4024 158.204 50.4021 -95.0342 -15.2435 158.204 -15.2446 -7.01493 GPRESSURE: 1615200 -92.9888 93.2582 166.828 49.5651 -17.6916 51.9134 129.663 -57.7288 54.9408 PRESSAVG: 1615200 8.929 -35.5241 33.1342 -35.5241 14.3169 28.0139 33.1342 28.0139 -21.5118 GPRESSAVG: 1615200 10.0005 -34.4486 33.3827 -36.1768 13.3992 29.8197 35.7573 25.5953 -22.3951 TIMING: 1615200 CPU: 5175.23, 0.00312324/step Wall: 5175.23, 0.00312323/step, 2.93653 hours remaining, 232.269531 MB of memory in use. ENERGY: 1615200 4026.0575 20456.0698 14470.7764 265.0534 -203430.3098 2447.7996 0.0000 0.0000 51775.8727 -109988.6804 297.5567 -161764.5531 -109630.8889 298.4355 -47.6119 -18.5799 760455.7802 0.5780 0.3349 PRESSURE: 1615400 -360.619 -141.587 58.2006 -141.587 140.045 -73.2408 58.2004 -73.2399 -11.1007 GPRESSURE: 1615400 -300.782 -16.9065 -64.1522 -145.869 165.627 -67.958 93.8663 -136.634 13.9524 PRESSAVG: 1615400 -0.5647 -51.729 -3.88332 -51.7289 -26.3593 -14.3112 -3.88328 -14.3112 -1.13882 GPRESSAVG: 1615400 -0.238544 -52.2064 -3.6916 -52.1193 -26.3479 -16.0305 -4.71254 -13.3017 -1.21035 TIMING: 1615400 CPU: 5175.86, 0.00314769/step Wall: 5175.86, 0.00314769/step, 2.95936 hours remaining, 232.269531 MB of memory in use. ENERGY: 1615400 3931.3772 20389.5949 14460.9200 251.9951 -203290.1641 2408.2223 0.0000 0.0000 52000.7309 -109847.3238 298.8489 -161848.0546 -109482.3304 298.2438 -77.2249 -40.4008 760571.4940 -9.3543 -9.2656 PRESSURE: 1615600 -218.902 33.9814 -195.607 33.981 -355.417 -183.584 -195.607 -183.584 -291.307 GPRESSURE: 1615600 -267.352 45.1055 -230.466 28.6732 -273.469 -106.411 -182.479 -178.351 -246.954 PRESSAVG: 1615600 21.3419 -72.3099 -32.2964 -72.3099 45.0772 -17.9816 -32.2964 -17.9816 22.6923 GPRESSAVG: 1615600 21.0356 -72.6616 -33.3116 -70.5862 46.0805 -16.2794 -31.2803 -18.7652 21.7153 TIMING: 1615600 CPU: 5176.49, 0.00315375/step Wall: 5176.49, 0.00315375/step, 2.96487 hours remaining, 232.269531 MB of memory in use. ENERGY: 1615600 3988.2664 20503.3763 14513.5219 255.5131 -203299.8454 2120.3046 0.0000 0.0000 51972.3287 -109946.5344 298.6857 -161918.8631 -109582.4552 298.0084 -288.5422 -262.5915 761157.1261 29.7038 29.6105 PRESSURE: 1615800 64.038 2.01162 127.975 2.01249 98.3106 -120.177 127.975 -120.178 113.209 GPRESSURE: 1615800 177.218 35.072 11.5205 -31.856 172.157 -32.1999 0.145633 -33.356 24.5185 PRESSAVG: 1615800 15.928 -24.9638 36.1099 -24.9638 -77.291 11.6925 36.1099 11.6925 26.0787 GPRESSAVG: 1615800 14.7787 -24.4339 35.3914 -26.0979 -76.5568 12.2842 37.2028 12.2721 26.5919 TIMING: 1615800 CPU: 5177.12, 0.00315659/step Wall: 5177.12, 0.00315659/step, 2.96737 hours remaining, 232.269531 MB of memory in use. ENERGY: 1615800 3943.1443 20427.5589 14479.2297 254.6859 -203951.8604 2929.7994 0.0000 0.0000 51915.6274 -110001.8147 298.3598 -161917.4420 -109631.2779 297.9428 91.8524 124.6312 759712.3478 -11.7614 -11.7287 PRESSURE: 1616000 91.752 86.2597 206.184 86.2607 286.067 200.058 206.185 200.057 63.3763 GPRESSURE: 1616000 134.338 145.198 166.055 116.343 260.256 151.689 148.775 140.399 144.673 PRESSAVG: 1616000 -12.4288 -41.794 11.0718 -41.7939 -1.77923 52.2589 11.0718 52.2589 -7.60218 GPRESSAVG: 1616000 -10.5234 -40.5619 12.389 -43.0503 -3.50167 51.9471 9.99963 50.5906 -7.13617 TIMING: 1616000 CPU: 5177.74, 0.00312197/step Wall: 5177.74, 0.00312197/step, 2.93465 hours remaining, 232.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1616000 3994.4905 20392.5504 14475.4711 234.9729 -203591.4161 2657.9283 0.0000 0.0000 51939.1751 -109896.8278 298.4952 -161836.0029 -109532.9775 298.0174 147.0649 179.7556 760109.3246 -7.2701 -7.0538 PRESSURE: 1616200 139.017 97.539 -76.804 97.5391 26.4342 -122.791 -76.8045 -122.791 65.989 GPRESSURE: 1616200 136.469 116.777 -32.64 167.314 75.9604 -79.8655 -118.483 -191.928 95.73 PRESSAVG: 1616200 9.41163 1.24201 18.2374 1.24203 22.7117 36.262 18.2374 36.262 14.435 GPRESSAVG: 1616200 9.45185 -0.146328 19.7467 2.33212 23.5063 34.8256 17.166 36.731 13.2067 TIMING: 1616200 CPU: 5178.37, 0.00312129/step Wall: 5178.37, 0.00312129/step, 2.93384 hours remaining, 232.269531 MB of memory in use. ENERGY: 1616200 3995.9478 20440.1809 14477.5438 251.7992 -203238.6975 2282.2294 0.0000 0.0000 52194.9442 -109596.0522 299.9651 -161790.9964 -109235.0809 298.6576 77.1468 102.7197 763033.3939 15.5194 15.3883 LDB: ============= START OF LOAD BALANCING ============== 5190.79 LDB: ============== END OF LOAD BALANCING =============== 5190.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5190.79 LDB: ============= START OF LOAD BALANCING ============== 5191.1 LDB: Largest compute 7068 load 0.035530 is 18.2% of average load 0.195234 LDB: Average compute 0.004407 is 2.3% of average load 0.195234 LDB: TIME 5191.1 LOAD: AVG 0.195234 MAX 0.213941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 5191.1 LOAD: AVG 0.195234 MAX 0.213941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 5191.1 LOAD: AVG 0.195234 MAX 0.213941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 5191.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5191.11 PRESSURE: 1616400 -551.807 -103.284 192.191 -103.284 -120.935 137.645 192.192 137.644 36.0488 GPRESSURE: 1616400 -537.493 -52.9605 225.237 -74.638 -92.2165 123.549 347.887 20.6248 90.9975 PRESSAVG: 1616400 28.0716 -36.53 -7.32401 -36.5301 -18.6493 29.8714 -7.32407 29.8714 0.956959 GPRESSAVG: 1616400 27.1237 -36.0338 -9.64263 -36.0225 -18.1299 29.4787 -6.3528 30.6057 1.36112 TIMING: 1616400 CPU: 5179.01, 0.00318015/step Wall: 5179.01, 0.00318015/step, 2.98898 hours remaining, 231.570312 MB of memory in use. ENERGY: 1616400 4022.1623 20427.0323 14513.5098 254.3992 -203470.5265 2532.3528 0.0000 0.0000 51916.7498 -109804.3203 298.3663 -161721.0701 -109442.1637 298.5707 -212.2310 -179.5707 761464.6723 3.4598 3.4516 PRESSURE: 1616600 257.207 34.5041 59.1332 34.5045 213.175 103.571 59.1324 103.571 0.329556 GPRESSURE: 1616600 271.289 -17.7666 100.494 42.0877 262.491 52.508 66.815 193.899 30.6889 PRESSAVG: 1616600 26.2578 -39.1859 61.6201 -39.1859 -37.1351 33.8597 61.6201 33.8598 -0.178127 GPRESSAVG: 1616600 26.5392 -37.7643 61.5916 -40.4565 -37.7896 35.3403 63.5322 34.2302 0.0945955 TIMING: 1616600 CPU: 5179.63, 0.00311785/step Wall: 5179.63, 0.00311785/step, 2.93026 hours remaining, 231.570312 MB of memory in use. ENERGY: 1616600 3935.6490 20546.9562 14459.9251 246.4248 -203926.3021 2930.6322 0.0000 0.0000 52271.0714 -109535.6435 300.4026 -161806.7149 -109178.4485 298.6160 156.9039 188.1561 761249.9760 -3.6851 -3.7186 PRESSURE: 1616800 -190.8 -112.741 -107.937 -112.74 -59.2549 221.902 -107.938 221.902 -84.8007 GPRESSURE: 1616800 -79.275 -103.214 -134.25 -85.3027 -66.9314 160.639 -200.288 143.534 -88.5946 PRESSAVG: 1616800 25.394 -44.2476 -5.63231 -44.2476 -80.1934 22.7712 -5.63226 22.7711 1.31221 GPRESSAVG: 1616800 26.774 -44.1736 -4.64827 -44.0153 -80.6803 21.746 -8.24865 22.2215 0.271742 TIMING: 1616800 CPU: 5180.25, 0.00312934/step Wall: 5180.25, 0.00312934/step, 2.94088 hours remaining, 231.570312 MB of memory in use. ENERGY: 1616800 4044.2662 20445.9769 14479.7119 231.1106 -203539.0735 2747.2466 0.0000 0.0000 52041.8282 -109548.9331 299.0851 -161590.7613 -109186.0740 299.5833 -111.6186 -78.2670 761573.9257 -17.8291 -17.8782 PRESSURE: 1617000 -216.859 14.0015 16.3125 14.0015 158.065 -140.503 16.3115 -140.502 -477.437 GPRESSURE: 1617000 -222.135 -103.994 -0.460182 3.36909 208.975 -5.42488 145.422 -162.56 -422.982 PRESSAVG: 1617000 -4.7794 -45.1219 24.3751 -45.1219 2.00333 21.1154 24.3751 21.1153 30.2401 GPRESSAVG: 1617000 -5.17371 -47.1302 23.3152 -43.6285 1.35745 21.1862 26.5558 20.6583 31.7786 TIMING: 1617000 CPU: 5180.88, 0.00313425/step Wall: 5180.88, 0.00313425/step, 2.94533 hours remaining, 231.894531 MB of memory in use. ENERGY: 1617000 3968.1993 20483.4525 14451.3141 242.3573 -203152.2741 2501.4708 0.0000 0.0000 52019.3904 -109486.0896 298.9562 -161505.4801 -109122.8357 298.8672 -178.7434 -145.3807 763231.8552 9.1547 9.3208 PRESSURE: 1617200 -38.8563 -151.078 76.4619 -151.078 8.85174 201.786 76.4611 201.786 332.35 GPRESSURE: 1617200 -20.2483 -134.215 124.788 -100.447 80.3369 185.773 26.8502 163.198 330.226 PRESSAVG: 1617200 -40.3296 -8.50078 4.20231 -8.50081 43.5864 19.8463 4.20227 19.8463 17.5406 GPRESSAVG: 1617200 -41.0989 -8.20404 5.75622 -10.5699 44.7093 21.2813 2.08956 19.4614 17.5355 TIMING: 1617200 CPU: 5181.51, 0.00313816/step Wall: 5181.51, 0.00313816/step, 2.94882 hours remaining, 231.894531 MB of memory in use. ENERGY: 1617200 3993.5138 20516.6870 14504.0128 233.2805 -203278.1198 2504.2882 0.0000 0.0000 52111.7444 -109414.5931 299.4869 -161526.3375 -109052.1124 299.0435 100.7817 130.1050 762008.7507 6.9325 7.0486 PRESSURE: 1617400 -266.109 -202.92 -30.1103 -202.919 -45.4212 -177.701 -30.1114 -177.701 -284.269 GPRESSURE: 1617400 -168.091 -32.9341 -4.07721 -130.428 -118.253 -267.851 -195.793 -87.7795 -216.655 PRESSAVG: 1617400 -15.0641 -17.0466 -18.4667 -17.0464 -8.14757 4.18588 -18.4668 4.18579 -34.4839 GPRESSAVG: 1617400 -14.0989 -16.6254 -21.4255 -15.1678 -8.82558 3.21636 -17.7178 4.51687 -34.6696 TIMING: 1617400 CPU: 5182.14, 0.00313751/step Wall: 5182.14, 0.00313751/step, 2.94804 hours remaining, 231.894531 MB of memory in use. ENERGY: 1617400 3937.9254 20551.2656 14486.6527 239.7240 -203113.4253 2319.9782 0.0000 0.0000 52243.6697 -109334.2096 300.2451 -161577.8793 -108972.3798 299.7098 -198.5997 -167.6663 761489.0452 -19.2318 -19.1980 PRESSURE: 1617600 -133.995 55.6741 -58.8537 55.6734 165.471 49.191 -58.8535 49.1912 -83.1324 GPRESSURE: 1617600 -91.2241 111.922 -40.8655 108.846 191.104 38.3693 -210.322 104.994 -67.4018 PRESSAVG: 1617600 0.0904447 -36.7578 -31.4802 -36.7578 10.9704 -59.511 -31.4802 -59.5111 -11.3751 GPRESSAVG: 1617600 -1.38254 -35.0987 -28.5185 -39.5454 12.3028 -59.2446 -34.2875 -59.7248 -11.5425 TIMING: 1617600 CPU: 5182.76, 0.00313282/step Wall: 5182.76, 0.00313282/step, 2.94346 hours remaining, 231.894531 MB of memory in use. ENERGY: 1617600 4009.1480 20577.4413 14497.8334 261.6370 -203145.8363 2369.5772 0.0000 0.0000 51841.3441 -109588.8553 297.9329 -161430.1994 -109223.7159 299.2432 -17.2190 10.8260 762615.0547 -0.1047 -0.2074 PRESSURE: 1617800 217.941 -43.637 -96.7895 -43.6381 -61.1278 -109.709 -96.7894 -109.709 -189.532 GPRESSURE: 1617800 176.144 -148.038 -76.2227 61.499 -2.44448 -124.26 -95.9413 -207.149 -117.212 PRESSAVG: 1617800 37.6354 -46.4125 25.8452 -46.4125 -51.2881 -42.4526 25.8452 -42.4526 4.27254 GPRESSAVG: 1617800 37.5776 -48.9203 26.1315 -42.4794 -50.922 -42.6685 28.0141 -42.683 3.60858 TIMING: 1617800 CPU: 5183.39, 0.00313723/step Wall: 5183.39, 0.00313723/step, 2.94743 hours remaining, 231.894531 MB of memory in use. ENERGY: 1617800 4010.3816 20445.5500 14537.5901 252.4684 -203137.8944 2567.7259 0.0000 0.0000 51816.1220 -109508.0565 297.7880 -161324.1785 -109147.1593 299.3574 -10.9063 18.8291 761695.6942 -3.1267 -3.2453 PRESSURE: 1618000 -292.731 -28.8695 148.715 -28.8698 -503.669 132.046 148.714 132.046 100.395 GPRESSURE: 1618000 -322.137 40.3957 193.243 -37.1799 -351.806 66.6801 148.005 108.925 50.4811 PRESSAVG: 1618000 5.43501 -53.6995 19.18 -53.6994 -27.8789 0.349502 19.18 0.349504 -14.301 GPRESSAVG: 1618000 5.35742 -53.4371 18.5246 -55.1035 -28.4035 0.764882 19.3597 -0.297377 -13.8839 TIMING: 1618000 CPU: 5184.02, 0.00315483/step Wall: 5184.02, 0.00315483/step, 2.96379 hours remaining, 231.894531 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: 1618000 3948.1647 20401.9136 14526.1733 237.7030 -202970.1677 2155.2167 0.0000 0.0000 52045.1463 -109655.8502 299.1042 -161700.9965 -109286.5447 299.1534 -232.0016 -207.8208 762138.6134 -12.2483 -12.3100 PRESSURE: 1618200 -84.5672 -94.9635 41.7036 -94.9624 94.4189 43.6961 41.7036 43.6964 -10.4608 GPRESSURE: 1618200 -101.846 -49.9879 22.8176 -43.6411 -19.4125 34.5192 2.37238 48.3167 197.039 PRESSAVG: 1618200 27.8577 -1.66708 -5.90555 -1.66704 -61.641 3.63443 -5.90558 3.63453 -17.4429 GPRESSAVG: 1618200 29.5514 0.540244 -6.74781 -1.85114 -62.8802 5.43822 -5.40171 5.47252 -17.5451 TIMING: 1618200 CPU: 5184.65, 0.00314757/step Wall: 5184.65, 0.00314757/step, 2.9568 hours remaining, 231.894531 MB of memory in use. ENERGY: 1618200 3975.2041 20528.6710 14513.4697 239.3972 -203152.0840 2279.9865 0.0000 0.0000 52023.5266 -109591.8288 298.9799 -161615.3555 -109245.4652 298.7361 -0.2030 25.2602 760729.2773 -17.0754 -16.9580 PRESSURE: 1618400 -191.773 -114.939 172.988 -114.938 -52.74 169.25 172.988 169.251 221.031 GPRESSURE: 1618400 -181.979 -80.2319 172.25 -121.082 48.0983 152.351 209.705 80.1387 187.358 PRESSAVG: 1618400 35.9684 -58.2217 35.5546 -58.2217 -62.4636 25.5529 35.5545 25.5528 7.74794 GPRESSAVG: 1618400 34.0449 -60.1383 36.1874 -58.0809 -60.5181 25.154 33.7254 21.6183 8.10115 TIMING: 1618400 CPU: 5185.28, 0.00314217/step Wall: 5185.28, 0.00314217/step, 2.95154 hours remaining, 231.894531 MB of memory in use. ENERGY: 1618400 3996.9034 20297.1465 14485.5807 236.9233 -203134.6844 2411.0794 0.0000 0.0000 52116.4784 -109590.5728 299.5141 -161707.0512 -109225.0375 299.0973 -7.8275 17.8258 762207.8427 -6.2491 -6.1240 PRESSURE: 1618600 118.627 52.9531 -35.6862 52.9527 50.8409 -34.8901 -35.6868 -34.8898 525.877 GPRESSURE: 1618600 132.007 72.3752 -50.8913 59.6283 151.459 -46.0121 -70.0099 -29.5549 484.278 PRESSAVG: 1618600 -15.9128 -70.1234 54.7508 -70.1235 3.94177 33.2652 54.7508 33.2653 9.27564 GPRESSAVG: 1618600 -14.7155 -69.7938 54.7673 -71.2341 2.46784 32.8271 55.129 36.5952 8.66985 TIMING: 1618600 CPU: 5185.91, 0.00315797/step Wall: 5185.91, 0.00315797/step, 2.96622 hours remaining, 231.894531 MB of memory in use. ENERGY: 1618600 4033.4269 20408.0776 14490.1657 228.9651 -203416.7439 2610.4536 0.0000 0.0000 51955.3830 -109690.2720 298.5883 -161645.6549 -109330.9078 298.6192 231.7814 255.9147 759195.1860 -0.8985 -1.1926 PRESSURE: 1618800 -191.918 -73.2426 7.3127 -73.242 139.082 -23.3763 7.31264 -23.3759 -182.882 GPRESSURE: 1618800 -89.6983 -18.1599 -62.306 43.1676 91.7299 -51.6647 205.57 -95.542 -140.712 PRESSAVG: 1618800 3.43376 -48.2681 24.4662 -48.268 -4.91659 60.5592 24.4662 60.5593 -5.95672 GPRESSAVG: 1618800 4.00808 -50.4476 25.0597 -47.2486 -5.33784 60.5943 28.5016 61.215 -5.90379 TIMING: 1618800 CPU: 5186.53, 0.00312007/step Wall: 5186.53, 0.00312007/step, 2.93044 hours remaining, 231.894531 MB of memory in use. ENERGY: 1618800 3919.1340 20313.3515 14530.9606 252.1678 -203092.7026 2399.8409 0.0000 0.0000 52059.5007 -109617.7472 299.1867 -161677.2479 -109243.7902 298.3424 -78.5723 -46.2268 760884.8940 -2.4798 -2.4112 PRESSURE: 1619000 261.566 -3.56326 -174.63 -3.5629 232.518 -53.5019 -174.63 -53.5022 -193.734 GPRESSURE: 1619000 288.604 92.4253 -166.661 7.31666 240.253 -123.967 -257.568 35.6225 -129.855 PRESSAVG: 1619000 11.9266 -39.8319 -23.0933 -39.8318 -34.0408 40.4479 -23.0933 40.4478 5.07119 GPRESSAVG: 1619000 10.5439 -38.321 -22.6665 -39.6227 -32.7109 39.727 -26.8795 38.2408 5.97698 TIMING: 1619000 CPU: 5187.16, 0.00311521/step Wall: 5187.16, 0.00311521/step, 2.9257 hours remaining, 231.894531 MB of memory in use. ENERGY: 1619000 3921.6187 20338.9320 14489.0467 244.5095 -203795.4446 3022.6449 0.0000 0.0000 51967.9871 -109810.7057 298.6607 -161778.6927 -109448.6322 298.8243 100.1166 133.0005 760445.0487 -5.6810 -5.3967 PRESSURE: 1619200 466.323 214.712 74.2414 214.713 -156.61 -145.187 74.2409 -145.188 409.549 GPRESSURE: 1619200 381.454 158.653 37.8167 197.05 32.2315 -69.5259 165.241 -166.507 403.342 PRESSAVG: 1619200 32.7219 28.2744 35.7722 28.2745 29.3286 -8.38561 35.7722 -8.38568 -20.7737 GPRESSAVG: 1619200 32.6956 27.3469 35.4789 28.8778 28.3346 -8.55673 36.5541 -7.81463 -19.8606 TIMING: 1619200 CPU: 5187.78, 0.00312599/step Wall: 5187.78, 0.00312599/step, 2.93566 hours remaining, 231.894531 MB of memory in use. ENERGY: 1619200 3908.2687 20411.4429 14499.1421 258.3021 -203525.6802 2777.3260 0.0000 0.0000 51961.8681 -109709.3304 298.6256 -161671.1984 -109341.4139 298.4554 239.7539 272.3424 759456.0927 13.7589 13.7232 PRESSURE: 1619400 -29.1999 -2.94853 306.061 -2.94887 -113.384 80.7011 306.061 80.7021 97.1105 GPRESSURE: 1619400 -11.1863 58.8093 377.932 -27.0307 -20.2468 25.0874 112.126 25.5169 65.0819 PRESSAVG: 1619400 -27.0132 -24.8745 62.1681 -24.8745 20.0866 28.0519 62.168 28.0519 19.5794 GPRESSAVG: 1619400 -27.3638 -23.9537 60.7797 -25.7658 22.0604 28.5873 62.4843 27.8832 17.4148 TIMING: 1619400 CPU: 5188.41, 0.00312745/step Wall: 5188.41, 0.00312745/step, 2.93685 hours remaining, 231.894531 MB of memory in use. ENERGY: 1619400 3930.0269 20401.0561 14532.8891 260.0655 -203024.5632 2205.4029 0.0000 0.0000 52052.4462 -109642.6765 299.1461 -161695.1228 -109278.6339 298.6140 -15.1578 11.2163 761319.6469 4.2176 4.0371 PRESSURE: 1619600 375.567 -16.4937 80.1777 -16.4934 -157.301 61.2318 80.1776 61.2319 31.3363 GPRESSURE: 1619600 317.471 -34.5313 94.4036 -14.4977 35.519 76.3811 50.3972 51.1604 -7.8611 PRESSAVG: 1619600 39.5802 -24.8388 36.3372 -24.8389 -33.6164 67.6554 36.3371 67.6554 16.2313 GPRESSAVG: 1619600 39.8874 -25.9661 37.1164 -24.7066 -34.8761 67.0522 36.9818 67.9611 17.3959 TIMING: 1619600 CPU: 5189.04, 0.00313781/step Wall: 5189.04, 0.00313781/step, 2.9464 hours remaining, 231.894531 MB of memory in use. ENERGY: 1619600 3962.1536 20477.4106 14578.9527 262.9830 -203473.0772 2505.4363 0.0000 0.0000 51990.6747 -109695.4663 298.7911 -161686.1410 -109344.5935 299.0420 83.2008 115.0428 759868.2938 7.3984 7.4691 PRESSURE: 1619800 -95.2772 -87.489 -74.6442 -87.4882 428.726 -160.181 -74.6448 -160.182 513.424 GPRESSURE: 1619800 37.3998 -163.17 -8.17094 -101.81 401.359 -180.244 25.5139 -34.5923 493.681 PRESSAVG: 1619800 -11.3909 -2.82382 14.4512 -2.82382 -27.7347 -46.0163 14.4512 -46.0163 8.83698 GPRESSAVG: 1619800 -9.59115 -3.31189 14.3327 -3.50517 -29.0637 -45.5615 14.3455 -45.8045 8.37412 TIMING: 1619800 CPU: 5189.66, 0.00312348/step Wall: 5189.66, 0.00312348/step, 2.93277 hours remaining, 231.894531 MB of memory in use. ENERGY: 1619800 3897.4147 20424.0206 14516.7045 241.1406 -203308.0880 2452.1335 0.0000 0.0000 52151.8085 -109624.8657 299.7172 -161776.6742 -109264.5387 298.6522 282.2908 310.8132 760092.6995 -10.0962 -10.0936 PRESSURE: 1620000 -48.9065 -83.7558 90.4334 -83.7554 135.645 127.761 90.4331 127.76 -292.555 GPRESSURE: 1620000 -1.55083 -102.775 110.177 -25.9934 183.056 191.862 134.429 148.435 -286.238 PRESSAVG: 1620000 50.8919 -7.35455 65.3902 -7.35454 -29.0526 14.9729 65.3901 14.9729 -15.3368 GPRESSAVG: 1620000 50.5711 -7.75057 65.6009 -5.6075 -28.9544 14.4928 65.1914 15.0549 -14.4682 TIMING: 1620000 CPU: 5190.29, 0.00312747/step Wall: 5190.29, 0.00312747/step, 2.93635 hours remaining, 231.894531 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: 1620000 4055.7922 20401.0142 14448.0314 252.1579 -203746.8660 2694.7799 0.0000 0.0000 52061.3222 -109833.7681 299.1971 -161895.0903 -109464.4056 298.9369 -68.6057 -34.9110 760218.5557 2.1675 2.3828 PRESSURE: 1620200 37.0112 -205.122 10.0413 -205.122 220.772 -120.047 10.0405 -120.045 324.711 GPRESSURE: 1620200 59.0086 -91.4095 8.46311 -180.768 234.858 -94.3387 49.6554 -48.3109 380.229 PRESSAVG: 1620200 32.0175 8.96955 67.0318 8.96954 -0.867496 13.7876 67.0318 13.7875 -13.3838 GPRESSAVG: 1620200 30.4532 8.89718 65.0255 8.66881 -0.568717 13.9534 67.3989 12.663 -12.6579 TIMING: 1620200 CPU: 5190.91, 0.00313687/step Wall: 5190.91, 0.00313687/step, 2.94499 hours remaining, 231.894531 MB of memory in use. ENERGY: 1620200 3996.1805 20301.9552 14536.9793 222.9715 -203701.5916 2582.1955 0.0000 0.0000 51866.8595 -110194.4501 298.0796 -162061.3096 -109832.1869 298.3208 194.1648 224.6986 760849.6056 5.9221 5.7422 LDB: ============= START OF LOAD BALANCING ============== 5203.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5203.33 LDB: =============== DONE WITH MIGRATION ================ 5203.34 LDB: ============= START OF LOAD BALANCING ============== 5203.65 LDB: Largest compute 7068 load 0.034190 is 17.5% of average load 0.195379 LDB: Average compute 0.004410 is 2.3% of average load 0.195379 LDB: TIME 5203.65 LOAD: AVG 0.195379 MAX 0.215954 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.148 MB LDB: TIME 5203.65 LOAD: AVG 0.195379 MAX 0.215954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 5203.65 LOAD: AVG 0.195379 MAX 0.215954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 5203.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5203.66 PRESSURE: 1620400 -187.11 254.676 -150.919 254.675 -104.383 -110.106 -150.918 -110.105 388.801 GPRESSURE: 1620400 -76.6285 264.879 -62.9921 127.802 -135.959 -96.291 -167.86 -99.5377 401.09 PRESSAVG: 1620400 24.7682 21.1361 6.16199 21.136 10.509 -8.65102 6.16202 -8.65106 26.4871 GPRESSAVG: 1620400 26.8186 22.217 9.41888 21.8026 10.3323 -8.52991 5.35313 -8.88245 24.1883 TIMING: 1620400 CPU: 5191.56, 0.00320923/step Wall: 5191.56, 0.00320923/step, 3.01275 hours remaining, 231.640625 MB of memory in use. ENERGY: 1620400 4022.4562 20473.3471 14483.1192 241.4196 -203810.9013 2650.5354 0.0000 0.0000 51748.5628 -110191.4609 297.3997 -161940.0237 -109834.8644 297.9233 32.4360 62.8342 761368.7611 20.5881 20.4464 PRESSURE: 1620600 -94.9148 -12.3008 151.744 -12.3006 142.02 43.506 151.745 43.5069 -30.5111 GPRESSURE: 1620600 -34.6542 -7.64081 151.91 29.0815 116.026 25.5398 46.8365 -39.2757 11.7178 PRESSAVG: 1620600 69.0132 0.974184 56.6585 0.974216 -42.5985 -8.13951 56.6585 -8.13963 -7.62583 GPRESSAVG: 1620600 68.0472 1.15859 54.1718 -0.602109 -42.5114 -7.84682 57.9675 -7.72802 -6.72972 TIMING: 1620600 CPU: 5192.18, 0.00312915/step Wall: 5192.18, 0.00312915/step, 2.93741 hours remaining, 231.968750 MB of memory in use. ENERGY: 1620600 3990.1619 20593.3513 14480.7922 260.5027 -204056.2592 2828.9046 0.0000 0.0000 51766.5462 -110136.0003 297.5031 -161902.5465 -109783.0832 297.7019 5.5313 31.0298 761081.1493 6.2630 6.2687 PRESSURE: 1620800 -434.039 91.726 -38.5357 91.7266 -44.353 218.255 -38.5348 218.255 -46.9184 GPRESSURE: 1620800 -375.601 39.4426 -22.0896 33.8322 -38.3126 205.615 67.1337 167.894 -1.86677 PRESSAVG: 1620800 -32.4796 -1.55077 69.9424 -1.55078 -14.637 -16.8457 69.9424 -16.8457 -5.39209 GPRESSAVG: 1620800 -33.1528 -3.24058 71.7976 -0.721854 -13.8235 -17.2965 68.6596 -17.7056 -5.53986 TIMING: 1620800 CPU: 5192.81, 0.00313546/step Wall: 5192.81, 0.00313546/step, 2.94315 hours remaining, 231.968750 MB of memory in use. ENERGY: 1620800 4048.3689 20494.8464 14485.2750 251.0078 -203964.4776 2804.4910 0.0000 0.0000 51944.3709 -109936.1176 298.5250 -161880.4885 -109579.5405 298.5251 -175.1034 -138.5933 762769.6158 -17.5029 -17.5054 PRESSURE: 1621000 -45.8119 -87.5115 -41.5406 -87.5118 -55.6118 -17.0545 -41.5401 -17.0541 -76.5894 GPRESSURE: 1621000 -56.2503 -191.668 13.4673 -101.583 54.4165 28.5199 -34.6173 64.4363 -83.7944 PRESSAVG: 1621000 13.911 -36.5261 3.73403 -36.5261 -36.9903 -0.604779 3.73409 -0.604787 -0.0281324 GPRESSAVG: 1621000 15.5567 -36.7961 3.69362 -34.9698 -38.3641 -2.04099 4.92244 0.489636 -0.652217 TIMING: 1621000 CPU: 5193.44, 0.00313913/step Wall: 5193.44, 0.00313913/step, 2.94642 hours remaining, 231.968750 MB of memory in use. ENERGY: 1621000 3989.2907 20507.1584 14498.7255 250.6618 -203874.5870 2746.0538 0.0000 0.0000 51824.4795 -110058.2174 297.8360 -161882.6969 -109696.9279 297.5576 -59.3377 -28.5427 760706.7707 -7.7025 -7.8199 PRESSURE: 1621200 26.6732 75.8511 73.5512 75.8522 -275.894 -286.31 73.5526 -286.31 -146.059 GPRESSURE: 1621200 10.4966 69.1515 18.8104 18.8301 -187.809 -263.246 45.2939 -319.731 -112.294 PRESSAVG: 1621200 66.6506 -44.4153 -16.4568 -44.4153 -66.5677 13.5848 -16.4567 13.5849 9.74746 GPRESSAVG: 1621200 65.4648 -43.3412 -17.1919 -44.6329 -65.3031 14.8909 -15.6166 14.5736 10.0714 TIMING: 1621200 CPU: 5194.06, 0.00312984/step Wall: 5194.06, 0.00312984/step, 2.93753 hours remaining, 231.968750 MB of memory in use. ENERGY: 1621200 3919.4553 20498.6707 14496.0490 240.0183 -203050.7222 2167.5775 0.0000 0.0000 51753.4914 -109975.4600 297.4280 -161728.9514 -109621.0797 297.7883 -131.7599 -96.5353 761783.0562 3.2768 3.4110 PRESSURE: 1621400 -398.001 364.296 -45.6956 364.296 -145.529 174.855 -45.696 174.855 398.659 GPRESSURE: 1621400 -382.217 299.828 -146.735 240.057 -47.3807 152.283 26.85 150.848 375.85 PRESSAVG: 1621400 59.3393 -60.5176 40.7742 -60.5176 -18.9476 19.1976 40.7741 19.1976 4.27587 GPRESSAVG: 1621400 59.4845 -61.5609 42.4464 -61.0326 -19.1307 18.8152 38.2358 18.3021 4.53141 TIMING: 1621400 CPU: 5194.69, 0.00311853/step Wall: 5194.69, 0.00311853/step, 2.92674 hours remaining, 231.968750 MB of memory in use. ENERGY: 1621400 3940.8104 20559.7086 14462.6131 251.7845 -203528.4851 2589.7185 0.0000 0.0000 51995.6980 -109728.1520 298.8200 -161723.8500 -109373.9894 298.4208 -48.2904 -17.9160 761278.8500 14.8892 14.9617 PRESSURE: 1621600 -310.196 29.696 -3.85879 29.6956 34.3118 32.174 -3.85955 32.1743 59.2413 GPRESSURE: 1621600 -292.219 73.0219 -72.9566 32.0509 27.3669 106.469 71.716 27.4118 116.311 PRESSAVG: 1621600 -9.80266 -28.9105 30.783 -28.9105 21.7419 20.9562 30.783 20.9561 21.6632 GPRESSAVG: 1621600 -9.55829 -26.6726 29.1031 -31.2232 21.826 22.194 30.492 21.6249 21.4519 TIMING: 1621600 CPU: 5195.31, 0.00313112/step Wall: 5195.31, 0.00313112/step, 2.93838 hours remaining, 232.171875 MB of memory in use. ENERGY: 1621600 3902.6663 20417.3252 14552.6874 225.8887 -203123.7398 2424.5083 0.0000 0.0000 51880.0061 -109720.6578 298.1551 -161600.6639 -109359.6398 298.6860 -72.2143 -49.5135 761820.7430 11.2008 11.2398 PRESSURE: 1621800 136.797 -7.23548 -81.1693 -7.23429 -273.721 -168.759 -81.1693 -168.759 161.191 GPRESSURE: 1621800 220.595 -125.537 -149.486 -84.5817 -285.092 -278.199 -123.014 -132.995 170.261 PRESSAVG: 1621800 34.4289 -37.7234 25.6181 -37.7235 -6.52032 -41.7425 25.6181 -41.7425 -1.07086 GPRESSAVG: 1621800 34.1902 -40.285 24.9315 -35.3804 -7.07983 -43.3129 26.8436 -43.0285 -0.409281 TIMING: 1621800 CPU: 5195.94, 0.00312127/step Wall: 5195.94, 0.00312127/step, 2.92897 hours remaining, 232.171875 MB of memory in use. ENERGY: 1621800 3974.6537 20520.9713 14529.5503 255.0860 -203688.0763 2802.5083 0.0000 0.0000 51782.1024 -109823.2043 297.5925 -161605.3067 -109464.2087 298.8124 8.0892 35.2546 760093.4068 8.9459 8.9004 PRESSURE: 1622000 62.9812 15.2227 -182.997 15.223 169.8 -133.947 -182.998 -133.947 -28.1837 GPRESSURE: 1622000 95.2024 67.1589 -212.419 54.5837 113.799 -99.4851 -66.1673 -277.214 65.0559 PRESSAVG: 1622000 59.145 -47.1129 -24.9977 -47.1128 -66.743 -7.60389 -24.9977 -7.60393 -1.41151 GPRESSAVG: 1622000 60.331 -47.2662 -24.3628 -45.5961 -66.9733 -6.47385 -23.6253 -7.79785 -2.29184 TIMING: 1622000 CPU: 5196.57, 0.00314439/step Wall: 5196.57, 0.00314439/step, 2.95048 hours remaining, 232.171875 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: 1622000 3970.5785 20364.1740 14527.7103 242.7345 -203805.2041 2788.8696 0.0000 0.0000 52026.1939 -109884.9433 298.9953 -161911.1372 -109532.9904 298.2947 68.1991 91.3524 760517.3681 -3.0031 -2.9781 PRESSURE: 1622200 219.899 -41.7601 265.826 -41.7596 287.896 -232.464 265.826 -232.463 -25.2931 GPRESSURE: 1622200 187.973 -23.0901 277.48 10.3344 423.358 -314.33 248.229 -88.4024 -24.229 PRESSAVG: 1622200 51.1236 -1.1218 54.8829 -1.12174 -4.90114 -58.7283 54.8829 -58.7283 -17.6032 GPRESSAVG: 1622200 50.7296 0.268018 54.264 -1.49485 -4.29904 -59.4494 53.8258 -58.0299 -17.5692 TIMING: 1622200 CPU: 5197.19, 0.00313991/step Wall: 5197.19, 0.00313991/step, 2.94611 hours remaining, 232.171875 MB of memory in use. ENERGY: 1622200 3958.5647 20471.1982 14515.9347 236.0537 -203750.1805 2816.0731 0.0000 0.0000 51882.0800 -109870.2762 298.1670 -161752.3562 -109510.5679 298.5856 160.8339 195.7009 760423.7809 9.5398 9.6204 PRESSURE: 1622400 32.0622 -18.6563 57.2552 -18.6573 -128.346 138.264 57.2545 138.265 58.7468 GPRESSURE: 1622400 29.0293 -91.4785 1.63897 -25.8231 -32.4207 139.293 49.25 129.052 53.5774 PRESSAVG: 1622400 43.6644 -34.6989 -16.3503 -34.6988 -22.2041 -22.3224 -16.3503 -22.3225 22.2162 GPRESSAVG: 1622400 42.2658 -34.0022 -17.0221 -35.9331 -22.1427 -21.9909 -17.1228 -22.1267 23.4783 TIMING: 1622400 CPU: 5197.82, 0.00314411/step Wall: 5197.82, 0.00314411/step, 2.94988 hours remaining, 232.171875 MB of memory in use. ENERGY: 1622400 3942.1383 20396.9551 14478.7859 261.3270 -203404.9152 2471.0353 0.0000 0.0000 51996.4755 -109858.1981 298.8245 -161854.6736 -109497.7696 298.8376 -12.5125 16.7287 760767.9557 14.5588 14.5338 PRESSURE: 1622600 268.889 2.62613 37.8442 2.62695 182.458 -79.8831 37.8452 -79.8836 -49.4667 GPRESSURE: 1622600 286.189 -75.6745 -7.39818 -33.0088 211.24 -21.3437 -95.0775 -43.5084 -12.5521 PRESSAVG: 1622600 46.1831 -43.1046 34.126 -43.1046 -57.3098 -16.9031 34.126 -16.9031 1.90984 GPRESSAVG: 1622600 46.8071 -43.9296 34.3857 -41.8499 -57.1717 -16.7346 35.947 -18.3269 1.51017 TIMING: 1622600 CPU: 5198.45, 0.00315347/step Wall: 5198.45, 0.00315347/step, 2.95848 hours remaining, 232.171875 MB of memory in use. ENERGY: 1622600 3890.1956 20570.2354 14504.6795 236.1348 -203539.8156 2778.3434 0.0000 0.0000 51622.0980 -109938.1290 296.6729 -161560.2271 -109571.8050 298.0685 133.9601 161.6256 762240.8747 -3.0723 -2.9515 PRESSURE: 1622800 89.9092 2.86703 -31.3846 2.86714 -46.5857 27.0011 -31.3844 26.999 287.765 GPRESSURE: 1622800 101.453 -41.7136 126.75 117.719 64.2999 -60.1056 -73.8117 75.3032 281.205 PRESSAVG: 1622800 72.1338 -13.7384 45.8708 -13.7384 -34.5987 15.3969 45.8708 15.397 1.64852 GPRESSAVG: 1622800 72.2828 -13.3801 45.8351 -12.4339 -33.2099 14.0852 44.4745 18.2677 -0.442602 TIMING: 1622800 CPU: 5199.08, 0.00313478/step Wall: 5199.08, 0.00313478/step, 2.94078 hours remaining, 232.171875 MB of memory in use. ENERGY: 1622800 3939.1256 20446.3240 14495.1305 253.7684 -203994.2611 3009.4949 0.0000 0.0000 51928.7853 -109921.6325 298.4354 -161850.4178 -109568.6532 298.5110 110.3630 148.9860 759615.3426 13.0612 12.8768 PRESSURE: 1623000 -412.106 -91.278 -263.025 -91.2784 -273.005 -47.341 -263.025 -47.3411 -40.2509 GPRESSURE: 1623000 -382.637 68.6522 -251.812 -64.8312 -195.634 -65.7677 -211.981 -137.59 -81.7075 PRESSAVG: 1623000 -0.864405 -13.3874 -36.6348 -13.3874 -12.5721 -11.5353 -36.6348 -11.5353 15.3466 GPRESSAVG: 1623000 -2.80511 -11.8527 -36.5274 -15.7016 -12.8219 -10.9667 -36.0019 -13.3753 17.4973 TIMING: 1623000 CPU: 5199.7, 0.00312476/step Wall: 5199.7, 0.00312476/step, 2.9312 hours remaining, 232.171875 MB of memory in use. ENERGY: 1623000 3987.5327 20518.4200 14453.2422 239.7381 -203438.7338 2527.5233 0.0000 0.0000 51697.1331 -110015.1446 297.1041 -161712.2777 -109655.7416 298.1479 -241.7873 -219.9928 761401.7693 0.6367 0.6234 PRESSURE: 1623200 -229.496 132.825 -180.733 132.825 277.105 51.9212 -180.732 51.9216 119.208 GPRESSURE: 1623200 -157.618 44.4454 -223.712 165.111 227.524 39.1848 -114.286 -15.7417 173.69 PRESSAVG: 1623200 27.425 -23.3281 6.2125 -23.3282 -3.56956 -72.6136 6.21245 -72.6135 -0.0985155 GPRESSAVG: 1623200 29.5788 -24.5858 5.68967 -21.6494 -5.57831 -71.4861 6.31762 -74.0702 -0.662462 TIMING: 1623200 CPU: 5200.33, 0.00314685/step Wall: 5200.33, 0.00314685/step, 2.95174 hours remaining, 232.171875 MB of memory in use. ENERGY: 1623200 4088.6631 20406.6452 14421.7771 239.1420 -203588.2871 2627.3224 0.0000 0.0000 51705.2873 -110099.4501 297.1510 -161804.7373 -109743.1979 298.2687 55.6055 81.1989 759951.3574 7.9190 7.7793 PRESSURE: 1623400 -254.755 -43.7087 303.803 -43.7089 -25.2946 254.409 303.803 254.407 -134.442 GPRESSURE: 1623400 -213.684 -76.4874 386.859 67.2301 39.6578 147.716 299.664 243.545 -166.226 PRESSAVG: 1623400 62.3137 10.1514 8.55331 10.1514 -66.9847 33.9975 8.55335 33.9976 5.87514 GPRESSAVG: 1623400 61.278 8.37517 10.3742 9.99974 -67.1001 33.0058 8.27762 35.6619 6.6603 TIMING: 1623400 CPU: 5200.96, 0.00315365/step Wall: 5200.96, 0.00315366/step, 2.95795 hours remaining, 232.171875 MB of memory in use. ENERGY: 1623400 3988.9938 20495.6775 14418.8524 230.7599 -203605.9561 2669.3758 0.0000 0.0000 51744.6679 -110057.6288 297.3773 -161802.2967 -109700.7585 297.4567 -138.1640 -113.4174 760746.9631 0.4014 0.2794 PRESSURE: 1623600 -188.514 -26.0634 59.0062 -26.064 53.9186 110.842 59.007 110.843 113.282 GPRESSURE: 1623600 -130.398 -12.718 -62.7769 -26.7263 115.5 93.8779 66.4171 121.419 78.35 PRESSAVG: 1623600 -28.6175 5.65263 4.32106 5.65259 24.6051 -10.2446 4.32101 -10.2446 19.4338 GPRESSAVG: 1623600 -27.2737 7.40535 2.79832 4.00917 24.3212 -10.0303 3.69223 -9.64156 17.9171 TIMING: 1623600 CPU: 5201.59, 0.0031305/step Wall: 5201.59, 0.0031305/step, 2.93606 hours remaining, 232.171875 MB of memory in use. ENERGY: 1623600 4000.4518 20339.2720 14440.2383 234.1207 -203430.1090 2520.2019 0.0000 0.0000 51860.9912 -110034.8329 298.0458 -161895.8241 -109676.6908 297.1415 -7.1043 21.1506 760517.1383 5.1405 4.9882 PRESSURE: 1623800 -146.851 -155.509 -147.045 -155.51 -163.576 -96.2978 -147.045 -96.2992 69.2072 GPRESSURE: 1623800 -125.376 -161.203 -250.153 -112.122 -66.8784 -137.618 -152.253 -142.895 36.7012 PRESSAVG: 1623800 -18.3803 19.6238 46.0862 19.6238 18.2438 2.52283 46.0862 2.52285 12.5993 GPRESSAVG: 1623800 -19.3316 20.3513 45.744 21.6218 19.4504 2.46205 46.2188 1.14882 13.0816 TIMING: 1623800 CPU: 5202.22, 0.00313605/step Wall: 5202.22, 0.00313605/step, 2.94109 hours remaining, 232.171875 MB of memory in use. ENERGY: 1623800 3964.0010 20397.6464 14493.2129 230.5849 -203240.6988 2362.8394 0.0000 0.0000 51806.3486 -109986.0655 297.7318 -161792.4142 -109627.3090 297.9578 -80.4064 -51.8510 760341.9362 4.1543 4.4001 PRESSURE: 1624000 -135.394 141.625 -158.833 141.625 -425.441 130.321 -158.832 130.321 -928.626 GPRESSURE: 1624000 -170.138 96.0978 -52.2586 114.891 -431.251 157.695 -63.9022 3.82938 -798.494 PRESSAVG: 1624000 51.9862 11.5277 15.6336 11.5278 -42.3253 -24.6871 15.6336 -24.6871 -17.1531 GPRESSAVG: 1624000 51.6264 8.24905 15.3448 10.585 -40.9202 -25.5875 14.7863 -23.6519 -17.715 TIMING: 1624000 CPU: 5202.85, 0.0031573/step Wall: 5202.85, 0.0031573/step, 2.96084 hours remaining, 232.171875 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: 1624000 3999.7003 20336.4606 14515.5406 227.7977 -202933.5684 2115.4695 0.0000 0.0000 51980.6854 -109757.9144 298.7337 -161738.5998 -109393.2339 298.1153 -496.4870 -466.6278 761021.9295 -2.4974 -2.3363 PRESSURE: 1624200 -185.492 -194.892 158.11 -194.891 44.2787 -91.0793 158.109 -91.0795 -239.502 GPRESSURE: 1624200 -145.782 -217.141 116.54 -82.9787 85.5651 -120.744 233.948 -53.2682 -226.627 PRESSAVG: 1624200 7.3914 -43.068 43.4973 -43.0679 -16.0314 -29.0621 43.4973 -29.062 -3.54767 GPRESSAVG: 1624200 7.67898 -41.2824 43.571 -43.7769 -17.5386 -25.8503 43.9951 -30.667 -3.25999 TIMING: 1624200 CPU: 5203.48, 0.00316497/step Wall: 5203.48, 0.00316497/step, 2.96786 hours remaining, 232.171875 MB of memory in use. ENERGY: 1624200 4068.0372 20313.8472 14452.0905 239.9371 -203435.3800 2475.6118 0.0000 0.0000 51969.4417 -109916.4143 298.6691 -161885.8561 -109560.2072 298.3993 -126.9051 -95.6148 759215.4533 -4.0625 -4.3732 LDB: ============= START OF LOAD BALANCING ============== 5215.91 LDB: ============== END OF LOAD BALANCING =============== 5215.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5215.91 LDB: ============= START OF LOAD BALANCING ============== 5216.22 LDB: Largest compute 7068 load 0.035329 is 18.1% of average load 0.195423 LDB: Average compute 0.004409 is 2.3% of average load 0.195423 LDB: TIME 5216.23 LOAD: AVG 0.195423 MAX 0.214256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.566 MB LDB: TIME 5216.23 LOAD: AVG 0.195423 MAX 0.214256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 5216.23 LOAD: AVG 0.195423 MAX 0.214256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 5216.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5216.24 PRESSURE: 1624400 -154.176 71.3582 -177.054 71.3582 -139.743 -209.726 -177.054 -209.725 -52.4 GPRESSURE: 1624400 -41.5203 -2.42291 -105.6 42.1978 -148.071 -96.3872 -176.897 -222.936 -68.08 PRESSAVG: 1624400 40.1848 4.66327 65.4662 4.66327 -18.1858 -92.1833 65.4662 -92.1833 0.776105 GPRESSAVG: 1624400 40.1718 4.86187 65.3878 6.37543 -17.9391 -93.451 66.7913 -89.6982 0.584403 TIMING: 1624400 CPU: 5204.13, 0.00323473/step Wall: 5204.13, 0.00323473/step, 3.03309 hours remaining, 231.113281 MB of memory in use. ENERGY: 1624400 4012.7213 20363.8179 14455.7366 254.3759 -203294.7399 2304.3001 0.0000 0.0000 51906.1326 -109997.6555 298.3053 -161903.7880 -109643.1074 297.8890 -115.4395 -85.8903 759787.4799 7.5917 7.6057 PRESSURE: 1624600 226.006 -228.968 66.7636 -228.969 45.7397 -79.8164 66.7638 -79.8168 276.22 GPRESSURE: 1624600 241.615 -342.433 81.7683 -223.563 82.8094 -15.4447 33.1044 -155.731 304.689 PRESSAVG: 1624600 43.6765 -31.0459 2.84484 -31.0459 -36.7101 22.5778 2.84479 22.5778 12.8343 GPRESSAVG: 1624600 44.542 -32.503 2.60039 -33.0991 -36.8633 24.4788 2.38746 20.5706 12.0987 TIMING: 1624600 CPU: 5204.77, 0.00318221/step Wall: 5204.77, 0.00318221/step, 2.98368 hours remaining, 231.113281 MB of memory in use. ENERGY: 1624600 3957.1396 20384.1189 14482.8823 249.9254 -203878.8781 2762.8009 0.0000 0.0000 52038.2986 -110003.7124 299.0648 -162042.0110 -109635.5992 298.0997 182.6554 209.7045 757663.9072 6.6002 6.5925 PRESSURE: 1624800 -170.197 78.5689 13.9375 78.5689 -273.902 148.414 13.9371 148.415 -249.934 GPRESSURE: 1624800 -134.488 28.1176 -73.8908 56.4192 -250.812 174.569 6.70854 119.437 -209.528 PRESSAVG: 1624800 4.52906 -30.5799 -4.29743 -30.5799 5.81317 -32.336 -4.29749 -32.3361 6.04216 GPRESSAVG: 1624800 2.44729 -30.5251 -3.10091 -28.8353 7.72576 -35.739 -3.71485 -33.346 6.45574 TIMING: 1624800 CPU: 5205.39, 0.00313215/step Wall: 5205.39, 0.00313215/step, 2.93656 hours remaining, 231.113281 MB of memory in use. ENERGY: 1624800 3977.7065 20445.8388 14526.7298 233.9941 -203319.6895 2549.3595 0.0000 0.0000 51795.5783 -109790.4825 297.6699 -161586.0608 -109439.9101 298.4702 -231.3441 -198.2761 759886.7185 5.4615 5.5429 PRESSURE: 1625000 -31.7072 39.4558 31.665 39.4557 188.686 185.817 31.6653 185.818 -53.3278 GPRESSURE: 1625000 98.6234 -0.969675 77.8049 -70.0725 199.435 123.993 -38.3406 194.234 -81.9245 PRESSAVG: 1625000 -10.8245 2.88599 8.78842 2.88599 -7.69756 -13.0395 8.78837 -13.0396 -37.4434 GPRESSAVG: 1625000 -10.3904 2.07641 10.6298 3.71407 -8.09652 -12.2516 8.67521 -12.2176 -37.5328 TIMING: 1625000 CPU: 5206.02, 0.0031469/step Wall: 5206.02, 0.0031469/step, 2.95022 hours remaining, 231.113281 MB of memory in use. ENERGY: 1625000 4004.4463 20488.3583 14419.5595 232.0235 -203516.7490 2676.4945 0.0000 0.0000 51944.5087 -109751.3583 298.5258 -161695.8669 -109397.9324 298.5384 34.5503 72.0447 759794.1421 -18.6551 -18.6733 PRESSURE: 1625200 215.46 -35.6724 165.357 -35.6731 -0.857115 -72.3652 165.358 -72.3648 -228.788 GPRESSURE: 1625200 245.061 -185.707 166.984 -89.8981 54.8732 17.4957 114 -88.7095 -227.426 PRESSAVG: 1625200 18.4301 -92.0158 -6.0225 -92.0158 -19.6997 44.0023 -6.02247 44.0025 -7.40204 GPRESSAVG: 1625200 19.3218 -91.6719 -7.22213 -93.6464 -20.298 44.0321 -6.44663 45.0684 -7.92477 TIMING: 1625200 CPU: 5206.65, 0.00314654/step Wall: 5206.65, 0.00314654/step, 2.94971 hours remaining, 231.113281 MB of memory in use. ENERGY: 1625200 3989.9915 20390.2952 14451.7208 242.9773 -203627.5228 2646.1719 0.0000 0.0000 51929.6207 -109976.7456 298.4402 -161906.3662 -109614.7658 299.0636 -4.7284 24.1693 759518.7159 -2.8905 -2.9670 PRESSURE: 1625400 104.291 -270.712 78.9628 -270.712 104.025 91.3081 78.9638 91.3082 53.8801 GPRESSURE: 1625400 127.493 -107.406 111.725 -300.031 108.256 197.561 57.197 -94.1419 118.338 PRESSAVG: 1625400 6.08374 -55.8133 -32.494 -55.8133 -30.9193 -20.8114 -32.494 -20.8113 10.4098 GPRESSAVG: 1625400 5.64842 -55.3929 -34.0425 -55.6817 -30.5122 -19.9943 -31.3415 -22.7986 10.7556 TIMING: 1625400 CPU: 5207.28, 0.00314486/step Wall: 5207.28, 0.00314486/step, 2.94796 hours remaining, 231.113281 MB of memory in use. ENERGY: 1625400 3909.7484 20491.7576 14549.0742 259.2480 -203587.3805 2736.1705 0.0000 0.0000 51802.5438 -109838.8381 297.7099 -161641.3819 -109470.1948 298.7430 87.3989 118.0290 758398.7707 -4.8086 -4.7027 PRESSURE: 1625600 -302.015 -338.28 -105.625 -338.279 -11.0486 214.916 -105.625 214.916 -354.557 GPRESSURE: 1625600 -288.696 -337.875 -62.212 -244.341 78.3504 162.028 -169.215 245.352 -360.874 PRESSAVG: 1625600 8.94787 -53.1088 14.911 -53.1088 -2.4383 63.0136 14.911 63.0136 5.66329 GPRESSAVG: 1625600 8.83395 -51.5834 15.5681 -55.6496 -2.5597 61.9968 14.6945 64.0956 5.27886 TIMING: 1625600 CPU: 5207.91, 0.00313737/step Wall: 5207.91, 0.00313737/step, 2.94076 hours remaining, 231.113281 MB of memory in use. ENERGY: 1625600 4009.9129 20488.3972 14517.6329 232.9689 -203358.0613 2374.8412 0.0000 0.0000 51970.9108 -109763.3974 298.6775 -161734.3082 -109408.0013 299.0627 -222.5401 -190.4065 760149.9949 4.0576 3.8510 PRESSURE: 1625800 165.571 -19.0734 44.9202 -19.0728 239.624 -24.9264 44.921 -24.926 165.95 GPRESSURE: 1625800 260.357 57.9861 -4.96961 -37.1174 202.768 -70.961 61.9833 -0.00736211 186.821 PRESSAVG: 1625800 -35.7464 -51.3958 -1.55966 -51.3958 64.6397 69.0688 -1.5596 69.0688 2.9164 GPRESSAVG: 1625800 -35.8965 -51.236 -0.918243 -50.744 64.8519 68.0402 -2.44183 70.5517 2.93615 TIMING: 1625800 CPU: 5208.54, 0.00315204/step Wall: 5208.54, 0.00315204/step, 2.95434 hours remaining, 231.113281 MB of memory in use. ENERGY: 1625800 3975.4260 20622.2123 14491.9671 265.4389 -202915.1608 2289.7533 0.0000 0.0000 51953.7025 -109316.6605 298.5786 -161270.3631 -108965.4094 298.9035 190.3816 216.6486 759507.5635 10.6032 10.6305 PRESSURE: 1626000 119.04 -146.51 -196.734 -146.51 258.269 -145.808 -196.735 -145.808 54.792 GPRESSURE: 1626000 187.282 -43.0065 -211.852 -92.3638 199.446 -98.9705 -83.0983 -137.832 131.028 PRESSAVG: 1626000 61.9769 -90.2348 18.2345 -90.2348 -43.1826 25.115 18.2344 25.1151 -16.5565 GPRESSAVG: 1626000 62.8007 -90.6578 18.5977 -89.1834 -44.0129 26.1629 17.6477 23.1357 -16.0528 TIMING: 1626000 CPU: 5209.17, 0.0031575/step Wall: 5209.17, 0.0031575/step, 2.95928 hours remaining, 231.113281 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: 1626000 3976.7913 20466.6413 14416.4786 248.2445 -203086.2105 2591.0364 0.0000 0.0000 52254.7421 -109132.2763 300.3087 -161387.0183 -108771.2262 299.6526 144.0337 172.5853 761016.6203 0.7459 0.9117 PRESSURE: 1626200 -67.0333 -152.605 -283.44 -152.606 -265.637 80.024 -283.441 80.0261 -197.254 GPRESSURE: 1626200 40.1114 -181.739 -307.674 -149.851 -228.347 107.945 -213.835 -31.807 -245.9 PRESSAVG: 1626200 95.3473 -153.18 -1.6261 -153.179 -46.1672 21.2197 -1.6261 21.2198 21.5072 GPRESSAVG: 1626200 94.8951 -152.512 -1.88676 -152.414 -46.4185 21.7977 0.279035 20.9162 21.8437 TIMING: 1626200 CPU: 5209.8, 0.00316639/step Wall: 5209.8, 0.00316639/step, 2.96743 hours remaining, 231.113281 MB of memory in use. ENERGY: 1626200 3988.3775 20492.7167 14438.2706 275.6172 -203158.0588 2441.5193 0.0000 0.0000 52304.3304 -109217.2272 300.5937 -161521.5576 -108854.1829 299.9479 -176.6416 -144.7118 761986.6301 23.5624 23.4401 PRESSURE: 1626400 -192.39 -52.5296 92.2501 -52.5296 210.912 193.075 92.2506 193.075 -146.861 GPRESSURE: 1626400 -132.591 63.3534 89.3977 -20.1708 330.112 249.971 63.2643 184.968 -227.547 PRESSAVG: 1626400 13.2838 -79.8794 -12.8412 -79.8794 -41.4217 3.53273 -12.8412 3.53267 14.6912 GPRESSAVG: 1626400 13.1285 -81.3893 -12.5448 -80.6483 -40.5752 3.7037 -15.0383 4.07261 14.1499 TIMING: 1626400 CPU: 5210.44, 0.0031701/step Wall: 5210.44, 0.0031701/step, 2.97074 hours remaining, 231.113281 MB of memory in use. ENERGY: 1626400 3997.8176 20560.0837 14455.7995 224.3731 -202944.2407 2483.1597 0.0000 0.0000 51970.5066 -109252.5004 298.6752 -161223.0070 -108897.2965 299.3979 -42.7796 -10.0088 762877.4603 -4.4823 -4.4323 PRESSURE: 1626600 -33.5396 -35.8491 -20.6108 -35.8486 -151.254 149.317 -20.6104 149.316 187.348 GPRESSURE: 1626600 -38.2125 -126.146 51.97 -54.9097 -86.2266 93.8798 -68.7485 56.8432 215.756 PRESSAVG: 1626600 41.271 -62.8867 8.54176 -62.8867 -34.4166 33.073 8.54182 33.0729 3.45362 GPRESSAVG: 1626600 40.5765 -61.7709 7.30617 -65.063 -34.0422 32.4001 10.346 32.9435 3.39351 TIMING: 1626600 CPU: 5211.07, 0.00315662/step Wall: 5211.07, 0.00315662/step, 2.95792 hours remaining, 231.113281 MB of memory in use. ENERGY: 1626600 3988.7465 20402.1498 14490.9457 284.9504 -203252.4112 2505.0194 0.0000 0.0000 51999.4134 -109581.1861 298.8413 -161580.5995 -109213.8806 299.1159 0.8517 30.4391 761400.4550 3.4360 3.3093 PRESSURE: 1626800 91.8802 119.835 -241.158 119.836 25.919 5.04662 -241.158 5.04513 -74.7579 GPRESSURE: 1626800 104.333 31.941 -157.155 178.985 63.4833 20.0381 -332.653 23.0676 -43.4203 PRESSAVG: 1626800 -10.078 -73.6368 25.7986 -73.6368 18.2057 1.10611 25.7986 1.10615 22.8544 GPRESSAVG: 1626800 -9.6577 -73.5727 25.5085 -72.41 16.6979 0.490408 25.36 2.71793 23.5035 TIMING: 1626800 CPU: 5211.7, 0.00315013/step Wall: 5211.7, 0.00315013/step, 2.95167 hours remaining, 231.113281 MB of memory in use. ENERGY: 1626800 4001.5634 20384.4814 14389.4373 263.3237 -203329.3210 2456.6155 0.0000 0.0000 52329.6221 -109504.2776 300.7391 -161833.8997 -109138.8675 299.2556 14.3471 41.4653 760276.9614 10.3274 10.1812 PRESSURE: 1627000 -336.871 -175.335 142.117 -175.335 -96.7068 180.333 142.118 180.334 -150.602 GPRESSURE: 1627000 -313.385 -183.095 85.2872 -149.315 -41.1096 183.202 197.534 105.005 -119.305 PRESSAVG: 1627000 30.6034 -31.4879 -0.576704 -31.488 -11.801 24.1611 -0.576682 24.1612 -4.33638 GPRESSAVG: 1627000 30.7827 -31.5231 -0.260605 -30.086 -10.9251 25.6096 0.461264 22.1698 -4.52537 TIMING: 1627000 CPU: 5212.34, 0.00319344/step Wall: 5212.34, 0.00319344/step, 2.99208 hours remaining, 231.113281 MB of memory in use. ENERGY: 1627000 4001.9035 20484.0439 14410.0454 255.3496 -203005.4691 2237.3228 0.0000 0.0000 52139.6030 -109477.2007 299.6470 -161616.8037 -109125.3431 299.2471 -194.7263 -157.9332 759496.0789 4.8220 5.1108 PRESSURE: 1627200 -54.5091 48.7119 -50.1021 48.7122 269.355 263.027 -50.1016 263.026 364.235 GPRESSURE: 1627200 134.938 -5.64314 -49.876 -64.1263 218.125 142.318 2.8467 142.128 309.593 PRESSAVG: 1627200 -55.1398 -46.8902 9.36912 -46.8902 13.7164 51.8163 9.36903 51.8163 -15.7563 GPRESSAVG: 1627200 -54.4695 -47.8181 9.96741 -47.886 13.139 50.3603 6.36504 52.16 -15.9774 TIMING: 1627200 CPU: 5212.97, 0.00316137/step Wall: 5212.97, 0.00316137/step, 2.96186 hours remaining, 231.113281 MB of memory in use. ENERGY: 1627200 3933.1392 20503.1340 14498.5034 236.4563 -203206.9057 2400.7991 0.0000 0.0000 52182.7634 -109452.1103 299.8951 -161634.8737 -109084.2837 298.9823 193.0270 220.8852 759593.2168 -19.0599 -19.1026 PRESSURE: 1627400 -239.914 62.6686 233.814 62.6679 -7.02869 83.0376 233.813 83.0389 -300.301 GPRESSURE: 1627400 -194.777 16.4859 251.758 60.1426 39.425 77.3569 128.599 22.2063 -301.716 PRESSAVG: 1627400 -38.2215 -39.2148 30.9277 -39.2148 66.3707 60.5077 30.9278 60.5078 11.3312 GPRESSAVG: 1627400 -37.94 -38.6512 31.4981 -39.0635 66.7203 60.2892 32.0969 61.7698 10.8948 TIMING: 1627400 CPU: 5213.6, 0.00314643/step Wall: 5213.6, 0.00314643/step, 2.94768 hours remaining, 231.113281 MB of memory in use. ENERGY: 1627400 4003.8623 20502.5051 14479.0360 226.8589 -203593.1785 2530.1697 0.0000 0.0000 52187.3530 -109663.3934 299.9214 -161850.7464 -109299.1804 299.9506 -182.4145 -152.3561 760010.6957 13.1601 13.2250 PRESSURE: 1627600 148.524 -212.931 48.0311 -212.93 165.747 -87.1824 48.0311 -87.1823 601.777 GPRESSURE: 1627600 184.127 -72.8321 68.0049 -214.446 242.465 -94.1607 -93.6733 -112.912 557.397 PRESSAVG: 1627600 13.3649 -58.8948 29.346 -58.8948 1.65055 -22.3359 29.346 -22.336 -5.1894 GPRESSAVG: 1627600 12.851 -58.3711 28.6899 -58.0805 1.66936 -23.2143 30.6969 -21.553 -4.37073 TIMING: 1627600 CPU: 5214.23, 0.00314633/step Wall: 5214.23, 0.00314633/step, 2.94742 hours remaining, 231.113281 MB of memory in use. ENERGY: 1627600 3989.3282 20469.1772 14304.1925 253.9568 -204028.7106 3150.9981 0.0000 0.0000 52173.4302 -109687.6275 299.8414 -161861.0577 -109325.2064 299.3089 305.3492 327.9964 761258.9761 3.2753 3.3832 PRESSURE: 1627800 -85.2077 -124.715 -180.851 -124.716 -139.003 75.514 -180.853 75.515 266.363 GPRESSURE: 1627800 0.399116 -188.36 -184.086 -30.2967 -46.7484 75.1315 -86.6918 135.533 177.851 PRESSAVG: 1627800 -17.6156 -18.6529 -1.7521 -18.6529 36.4725 36.7831 -1.75212 36.7831 -20.2657 GPRESSAVG: 1627800 -17.6379 -17.5087 -2.34996 -19.9403 36.6474 37.5517 -4.5497 35.9665 -20.7405 TIMING: 1627800 CPU: 5214.86, 0.00314594/step Wall: 5214.86, 0.00314594/step, 2.94687 hours remaining, 231.113281 MB of memory in use. ENERGY: 1627800 4068.6589 20397.3638 14521.5501 243.7404 -203337.7814 2545.5774 0.0000 0.0000 52101.0231 -109459.8677 299.4253 -161560.8908 -109102.9904 299.3011 14.0507 43.8338 759982.2203 -0.4696 -0.5770 PRESSURE: 1628000 -277.829 22.9323 -423.763 22.9326 -363.9 46.8142 -423.763 46.8147 -261.759 GPRESSURE: 1628000 -283.908 15.0807 -433.828 -123.835 -245.158 93.8594 -343.67 152.269 -272.789 PRESSAVG: 1628000 -7.2098 -2.4508 -37.1446 -2.45076 -17.6932 37.9918 -37.1446 37.9917 9.28635 GPRESSAVG: 1628000 -6.66744 -5.14872 -34.2406 -2.20075 -18.0775 39.7612 -35.1558 37.7304 9.07436 TIMING: 1628000 CPU: 5215.49, 0.00314878/step Wall: 5215.49, 0.00314878/step, 2.94936 hours remaining, 231.113281 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: 1628000 4008.4012 20433.7214 14502.9332 239.1565 -202891.3744 2107.6178 0.0000 0.0000 51931.1094 -109668.4348 298.4488 -161599.5443 -109303.4295 298.9336 -301.1628 -267.2848 761078.2335 -5.2056 -5.2235 PRESSURE: 1628200 103.443 69.4495 123.941 69.4496 55.095 -168.719 123.941 -168.72 -169.724 GPRESSURE: 1628200 117.233 -92.8782 34.9966 19.6836 108.127 -160.704 121.98 -219.569 -161.039 PRESSAVG: 1628200 14.9648 -48.2695 5.28727 -48.2696 -6.16683 -61.1291 5.28732 -61.1291 11.0136 GPRESSAVG: 1628200 14.9949 -48.7928 3.11359 -47.0352 -5.86926 -62.2698 2.2079 -62.1632 10.7222 TIMING: 1628200 CPU: 5216.12, 0.00315799/step Wall: 5216.12, 0.00315799/step, 2.95781 hours remaining, 231.113281 MB of memory in use. ENERGY: 1628200 3984.4242 20603.6812 14449.9944 249.0438 -203122.1375 2379.6213 0.0000 0.0000 51886.9988 -109568.3739 298.1953 -161455.3727 -109205.8004 298.3869 -3.7287 21.4402 761013.2249 6.6039 6.6160 LDB: ============= START OF LOAD BALANCING ============== 5228.54 LDB: ============== END OF LOAD BALANCING =============== 5228.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5228.54 LDB: ============= START OF LOAD BALANCING ============== 5228.86 LDB: Largest compute 7033 load 0.036004 is 18.4% of average load 0.195458 LDB: Average compute 0.004408 is 2.3% of average load 0.195458 LDB: TIME 5228.86 LOAD: AVG 0.195458 MAX 0.213228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.82 MB LDB: TIME 5228.86 LOAD: AVG 0.195458 MAX 0.213228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: TIME 5228.86 LOAD: AVG 0.195458 MAX 0.213228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: ============== END OF LOAD BALANCING =============== 5228.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5228.87 PRESSURE: 1628400 380.143 -141.133 -139.091 -141.132 -33.3649 9.75334 -139.091 9.75317 226.023 GPRESSURE: 1628400 428.978 -86.559 -143.9 10.9898 14.4653 -92.9088 -28.8051 5.78738 200.442 PRESSAVG: 1628400 0.532756 -20.7285 -15.3532 -20.7285 40.6445 14.2034 -15.3532 14.2034 2.69692 GPRESSAVG: 1628400 0.518259 -19.6176 -14.6617 -23.1679 40.2391 14.9836 -12.2159 15.1626 3.2445 TIMING: 1628400 CPU: 5216.76, 0.0032184/step Wall: 5216.76, 0.0032184/step, 3.01421 hours remaining, 231.359375 MB of memory in use. ENERGY: 1628400 3940.1098 20611.2511 14444.6727 258.9810 -203749.2192 2841.6857 0.0000 0.0000 51924.3639 -109728.1549 298.4100 -161652.5188 -109363.7630 299.1038 190.9337 214.6284 760877.9084 14.6247 14.6673 PRESSURE: 1628600 -352.002 -33.6987 84.6728 -33.6994 14.7074 109.675 84.6733 109.675 -486.303 GPRESSURE: 1628600 -273.251 11.9672 114.177 0.544327 68.4011 63.6816 13.9457 117.153 -521.969 PRESSAVG: 1628600 5.30242 16.2213 58.1276 16.2212 -30.3883 -21.4973 58.1276 -21.4972 33.2982 GPRESSAVG: 1628600 6.20907 17.5637 57.1855 15.6309 -31.3312 -24.1359 58.793 -20.5938 34.0437 TIMING: 1628600 CPU: 5217.39, 0.00315276/step Wall: 5217.39, 0.00315276/step, 2.95256 hours remaining, 231.558594 MB of memory in use. ENERGY: 1628600 4064.5913 20402.6235 14467.1169 248.5708 -203570.3269 2569.1298 0.0000 0.0000 51951.8949 -109866.3996 298.5683 -161818.2945 -109499.8901 298.4153 -274.5324 -242.2727 760970.7059 2.7374 2.9739 PRESSURE: 1628800 3.15506 -82.707 51.4322 -82.7077 -52.2959 331.411 51.4323 331.412 -20.8188 GPRESSURE: 1628800 -24.7686 12.6691 -40.2401 -46.91 81.244 272.259 82.9337 407.933 -46.6816 PRESSAVG: 1628800 13.8674 -99.3659 28.3794 -99.3659 18.1948 27.8567 28.3794 27.8567 3.35163 GPRESSAVG: 1628800 14.0261 -101.038 27.6603 -96.9716 18.4045 29.4235 29.5316 26.669 2.66747 TIMING: 1628800 CPU: 5218.03, 0.00317494/step Wall: 5218.03, 0.00317494/step, 2.97315 hours remaining, 231.558594 MB of memory in use. ENERGY: 1628800 3987.4886 20571.8698 14454.7900 243.9783 -203266.3285 2288.1658 0.0000 0.0000 51915.3269 -109804.7093 298.3581 -161720.0362 -109445.6176 298.4597 -23.3199 3.2646 759927.9820 11.8046 11.6993 PRESSURE: 1629000 117.475 -70.1449 -254.067 -70.1452 127.188 -209.453 -254.067 -209.453 -313.97 GPRESSURE: 1629000 122.354 15.5321 -175.207 -111.978 97.21 -190.067 -248.207 -283.427 -190.965 PRESSAVG: 1629000 31.9223 -25.876 9.53571 -25.876 -52.3892 -9.3417 9.53579 -9.34176 -1.81837 GPRESSAVG: 1629000 31.2138 -23.2891 10.7781 -27.1531 -53.6872 -8.93074 7.39426 -10.1698 -0.107878 TIMING: 1629000 CPU: 5218.66, 0.00316625/step Wall: 5218.66, 0.00316625/step, 2.96484 hours remaining, 231.558594 MB of memory in use. ENERGY: 1629000 4049.4991 20395.8342 14370.5815 241.0057 -203766.2600 2710.1407 0.0000 0.0000 52215.0160 -109784.1829 300.0804 -161999.1988 -109420.5626 298.6476 -23.1023 9.5331 761866.7540 -7.4284 -7.5271 PRESSURE: 1629200 -119.597 -76.7268 -11.2167 -76.7255 60.2844 -47.2054 -11.217 -47.2055 -1.15826 GPRESSURE: 1629200 -47.8646 -168.622 -48.7353 75.861 78.9832 -77.3895 -11.4204 -72.1774 -0.0549668 PRESSAVG: 1629200 70.1186 -72.4615 8.41393 -72.4614 -79.578 -16.3245 8.41392 -16.3246 3.25051 GPRESSAVG: 1629200 69.698 -74.1913 8.63531 -71.3745 -77.8894 -16.9781 6.38147 -15.8842 2.07104 TIMING: 1629200 CPU: 5219.29, 0.00313682/step Wall: 5219.29, 0.00313682/step, 2.93711 hours remaining, 231.558594 MB of memory in use. ENERGY: 1629200 4014.7530 20493.3981 14413.9753 251.4123 -203540.6632 2411.6276 0.0000 0.0000 52190.3341 -109765.1629 299.9386 -161955.4970 -109415.0855 298.8962 -20.1570 10.3546 759181.4261 -2.0696 -2.0401 PRESSURE: 1629400 -97.5161 -136.467 80.2596 -136.466 -55.0941 -73.1863 80.2598 -73.1873 -55.9689 GPRESSURE: 1629400 -109.879 -153.403 107.386 -222.352 48.4834 -36.8966 176.159 -60.6058 -61.4118 PRESSAVG: 1629400 14.7747 -83.3176 6.12132 -83.3176 -13.1087 -34.5513 6.12127 -34.5512 10.3601 GPRESSAVG: 1629400 13.4187 -81.1517 5.15271 -86.3663 -12.8379 -33.0575 8.74994 -34.4078 11.0451 TIMING: 1629400 CPU: 5219.92, 0.00313767/step Wall: 5219.92, 0.00313767/step, 2.93773 hours remaining, 231.558594 MB of memory in use. ENERGY: 1629400 3952.0496 20422.3594 14399.5346 248.3741 -203032.2632 2264.8782 0.0000 0.0000 51917.1094 -109827.9580 298.3683 -161745.0674 -109454.7294 298.2470 -69.5264 -40.9358 759416.9565 4.0087 3.8753 PRESSURE: 1629600 -142.107 102.53 -72.9668 102.53 -71.9578 0.193896 -72.966 0.193464 -335.658 GPRESSURE: 1629600 -96.1464 178.085 -66.277 105.521 -94.8612 -0.405504 -143.458 -53.4152 -263.706 PRESSAVG: 1629600 -10.0189 -15.3132 47.1503 -15.3132 -2.95416 -28.7057 47.1503 -28.7057 -15.4254 GPRESSAVG: 1629600 -7.98357 -14.7528 47.3952 -14.6836 -3.15503 -29.2037 45.3125 -27.5503 -17.3462 TIMING: 1629600 CPU: 5220.54, 0.00314398/step Wall: 5220.54, 0.00314398/step, 2.94346 hours remaining, 231.558594 MB of memory in use. ENERGY: 1629600 4057.6415 20538.1518 14506.9406 235.1697 -203495.8993 2501.3027 0.0000 0.0000 51847.7526 -109808.9404 297.9697 -161656.6930 -109450.5491 298.5868 -183.2407 -151.5711 758440.3274 -9.4661 -9.4949 PRESSURE: 1629800 -235.918 -34.7988 -60.7468 -34.7982 -160.295 13.4693 -60.7463 13.4694 296.045 GPRESSURE: 1629800 -105.656 -14.6713 -41.4166 -36.0597 -231.813 90.0762 38.654 -138.343 311.517 PRESSAVG: 1629800 -33.8306 4.2376 44.9683 4.23768 16.8918 -1.2762 44.9683 -1.27632 1.98839 GPRESSAVG: 1629800 -34.6256 0.458414 46.176 5.8615 15.8944 0.817542 45.8541 -3.02823 3.15978 TIMING: 1629800 CPU: 5221.17, 0.00313878/step Wall: 5221.17, 0.00313878/step, 2.93842 hours remaining, 231.558594 MB of memory in use. ENERGY: 1629800 4008.0156 20345.5369 14494.8628 232.7336 -202925.9780 2080.9920 0.0000 0.0000 52001.2955 -109762.5417 298.8522 -161763.8373 -109399.3611 298.4594 -33.3893 -8.6506 760551.8181 -4.9835 -5.1905 PRESSURE: 1630000 -96.745 2.76582 163 2.76539 268.45 -111.519 163 -111.52 399.264 GPRESSURE: 1630000 -32.9166 -39.0549 166.954 -8.51718 239.47 -49.9754 225.368 -37.926 450.563 PRESSAVG: 1630000 45.0576 10.5522 30.246 10.5522 -14.3001 11.751 30.246 11.751 3.24797 GPRESSAVG: 1630000 44.7855 12.9977 28.1645 7.56909 -14.6481 11.2303 31.0107 13.2159 3.26649 TIMING: 1630000 CPU: 5221.8, 0.00314162/step Wall: 5221.8, 0.00314162/step, 2.9409 hours remaining, 231.558594 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: 1630000 3965.6990 20399.3055 14392.8579 235.4951 -203339.9358 2476.5680 0.0000 0.0000 52137.2944 -109732.7160 299.6337 -161870.0103 -109366.4505 298.8034 190.3230 219.0386 758582.2197 11.3352 11.1346 PRESSURE: 1630200 -54.3578 255.399 27.9043 255.4 182.213 264.812 27.9049 264.812 -116.985 GPRESSURE: 1630200 100.854 219.097 -11.7532 294.107 118.06 296.954 -91.1975 218.079 -113.694 PRESSAVG: 1630200 -9.85388 4.31594 29.3585 4.31603 -15.0555 -8.28009 29.3585 -8.28007 7.18736 GPRESSAVG: 1630200 -8.86136 2.8999 29.8587 6.62274 -16.2288 -9.9247 29.2052 -7.70223 7.47925 TIMING: 1630200 CPU: 5222.43, 0.00316197/step Wall: 5222.43, 0.00316197/step, 2.95978 hours remaining, 231.558594 MB of memory in use. ENERGY: 1630200 3925.7450 20381.1260 14453.3248 238.9785 -203328.9429 2443.0852 0.0000 0.0000 52320.0698 -109566.6136 300.6842 -161886.6834 -109197.8383 298.6400 3.6233 35.0732 758181.1302 -5.9073 -5.8703 PRESSURE: 1630400 119.703 -62.3523 -41.5534 -62.3522 251.534 283.263 -41.5537 283.263 -261.426 GPRESSURE: 1630400 92.077 -180.242 -172.226 -63.9525 260.53 321.881 -62.9007 203.573 -179.123 PRESSAVG: 1630400 12.2543 74.1696 25.2307 74.1695 15.6868 15.1842 25.2307 15.1842 -29.139 GPRESSAVG: 1630400 11.4696 72.9641 25.6587 73.5837 17.3448 16.0243 23.4493 13.9995 -29.9767 TIMING: 1630400 CPU: 5223.06, 0.00314608/step Wall: 5223.06, 0.00314608/step, 2.94473 hours remaining, 231.558594 MB of memory in use. ENERGY: 1630400 4027.3879 20440.4258 14486.4933 250.7658 -203303.4610 2430.1373 0.0000 0.0000 52002.6470 -109665.6038 298.8599 -161668.2508 -109297.6852 299.2857 36.6036 57.8280 759086.8780 -0.3993 -0.3874 PRESSURE: 1630600 160.506 -40.9236 -376.188 -40.9238 -58.9546 -58.8331 -376.188 -58.8331 175.196 GPRESSURE: 1630600 230.977 -21.8109 -273.567 -40.0345 -14.01 -66.1123 -241.148 52.5674 121.634 PRESSAVG: 1630600 -15.6295 34.4302 -9.80523 34.4302 44.5128 51.0855 -9.80524 51.0855 -27.7328 GPRESSAVG: 1630600 -16.1216 36.919 -8.48386 34.8089 44.3875 51.8596 -8.98369 51.1197 -26.6657 TIMING: 1630600 CPU: 5223.69, 0.00315818/step Wall: 5223.69, 0.00315818/step, 2.95588 hours remaining, 231.558594 MB of memory in use. ENERGY: 1630600 3960.1386 20590.4716 14493.5885 251.0690 -203540.7073 2600.3742 0.0000 0.0000 52033.7571 -109611.3082 299.0387 -161645.0653 -109259.7351 299.2662 92.2492 112.8670 760991.8924 0.3835 0.5334 PRESSURE: 1630800 79.9901 123.107 71.0562 123.107 365.366 207.383 71.056 207.384 231.975 GPRESSURE: 1630800 101.59 147.524 52.4868 52.7773 352.272 134.907 -59.5476 271.409 307.54 PRESSAVG: 1630800 23.857 49.6051 -16.7792 49.6052 -49.9161 88.7716 -16.7792 88.7716 46.3382 GPRESSAVG: 1630800 23.5326 49.4909 -18.3894 50.0316 -49.1046 88.1401 -17.4443 87.6273 45.9313 TIMING: 1630800 CPU: 5224.33, 0.00318308/step Wall: 5224.33, 0.00318308/step, 2.97901 hours remaining, 231.558594 MB of memory in use. ENERGY: 1630800 3931.1064 20597.2048 14456.8619 238.6465 -203223.1857 2520.5666 0.0000 0.0000 52006.1138 -109472.6856 298.8799 -161478.7994 -109112.1196 298.9792 225.7770 253.8005 761405.1375 6.7597 6.7864 PRESSURE: 1631000 -145.264 69.0713 208.738 69.0709 -52.2225 -68.5495 208.739 -68.5502 -140.343 GPRESSURE: 1631000 -67.603 26.3216 140.174 2.45413 -11.9201 -22.2215 171.986 -67.4084 -176.299 PRESSAVG: 1631000 -37.2991 12.6681 -4.95977 12.6681 -2.13048 30.6165 -4.95968 30.6166 -7.97843 GPRESSAVG: 1631000 -36.4385 12.8248 -3.45673 11.1799 -1.60871 30.8126 -5.19523 30.914 -8.34707 TIMING: 1631000 CPU: 5224.96, 0.00316312/step Wall: 5224.96, 0.00316312/step, 2.96015 hours remaining, 231.558594 MB of memory in use. ENERGY: 1631000 3982.8341 20548.1422 14494.5968 250.4825 -203357.9616 2404.9453 0.0000 0.0000 51971.8398 -109705.1209 298.6829 -161676.9607 -109336.1250 299.0790 -112.6097 -85.2740 761264.2945 -15.8027 -15.4647 PRESSURE: 1631200 -131.552 -127.992 47.8669 -127.993 -295.457 104.039 47.8675 104.039 -69.5619 GPRESSURE: 1631200 -111.051 -96.3203 9.50662 -62.4065 -252.252 95.647 196.702 93.2264 -43.3056 PRESSAVG: 1631200 9.53084 17.1368 -27.8506 17.1367 -11.611 11.464 -27.8505 11.464 6.19902 GPRESSAVG: 1631200 9.92879 15.7064 -27.0371 18.778 -11.7728 12.3672 -27.7169 11.4559 6.13614 TIMING: 1631200 CPU: 5225.59, 0.00315093/step Wall: 5225.59, 0.00315093/step, 2.94857 hours remaining, 231.558594 MB of memory in use. ENERGY: 1631200 4013.7390 20521.2767 14475.1184 252.8657 -203574.9472 2577.7974 0.0000 0.0000 52023.7101 -109710.4399 298.9810 -161734.1500 -109342.2092 299.2104 -165.5237 -135.5363 762787.0355 1.3730 1.4307 PRESSURE: 1631400 21.5431 162.854 -304.529 162.854 -307.736 10.4546 -304.529 10.4545 -23.4381 GPRESSURE: 1631400 49.9869 86.8928 -293.532 101.288 -263.017 65.3096 -252.113 -53.8855 -20.3697 PRESSAVG: 1631400 -29.6779 34.4231 -23.7463 34.4232 30.4132 -30.677 -23.7463 -30.6769 10.5707 GPRESSAVG: 1631400 -29.9618 34.8716 -23.8198 34.2949 30.0753 -30.3391 -24.5535 -30.6939 11.2955 TIMING: 1631400 CPU: 5226.23, 0.00316061/step Wall: 5226.23, 0.00316061/step, 2.95745 hours remaining, 231.558594 MB of memory in use. ENERGY: 1631400 4033.1028 20470.7073 14624.0193 243.7210 -203447.4263 2578.6744 0.0000 0.0000 51850.2791 -109646.9223 297.9843 -161497.2015 -109298.5244 298.9528 -103.2104 -77.7998 760866.9828 3.7687 3.8030 PRESSURE: 1631600 49.3861 81.5394 -17.3315 81.5382 -164.02 -106.965 -17.3313 -106.965 -62.4563 GPRESSURE: 1631600 64.491 40.4327 -45.4123 70.3385 -105.13 -108.914 111.452 -208.048 -61.0554 PRESSAVG: 1631600 -43.8801 21.7003 -35.146 21.7003 7.68253 -12.3318 -35.146 -12.3318 2.67386 GPRESSAVG: 1631600 -43.1404 20.6325 -35.4616 18.7991 7.53307 -13.438 -35.1157 -11.6277 1.84508 TIMING: 1631600 CPU: 5226.86, 0.00317278/step Wall: 5226.86, 0.00317278/step, 2.96867 hours remaining, 231.558594 MB of memory in use. ENERGY: 1631600 3946.0368 20564.9599 14558.4007 247.7779 -203351.1103 2500.0881 0.0000 0.0000 52237.3155 -109296.5313 300.2086 -161533.8468 -108933.4832 299.7392 -59.0301 -33.8980 760461.0666 -11.1746 -11.2541 PRESSURE: 1631800 424.977 -12.6964 -105.749 -12.6966 152.553 66.1355 -105.75 66.1361 393.997 GPRESSURE: 1631800 462.467 74.587 -67.9853 106.295 200.181 60.7059 -136.951 23.9905 395.372 PRESSAVG: 1631800 -1.199 76.8504 -2.19803 76.8503 -10.9023 51.2155 -2.19797 51.2155 13.5131 GPRESSAVG: 1631800 -1.62585 78.9726 -2.0299 79.5763 -11.4606 51.8717 -1.99885 49.1883 14.2857 TIMING: 1631800 CPU: 5227.49, 0.0031514/step Wall: 5227.49, 0.0031514/step, 2.94848 hours remaining, 231.558594 MB of memory in use. ENERGY: 1631800 3882.6789 20489.7313 14492.9913 220.7985 -203819.1555 3137.3781 0.0000 0.0000 52106.8294 -109488.7480 299.4587 -161595.5774 -109128.3542 299.9786 323.8419 352.6738 761264.4660 0.4706 0.3997 PRESSURE: 1632000 154.992 63.1025 -4.66137 63.1029 -103.34 -82.0436 -4.6608 -82.0435 107.324 GPRESSURE: 1632000 117.433 6.19727 -32.7049 128.079 -45.9327 -19.7098 -96.6229 -176.079 170.01 PRESSAVG: 1632000 25.0963 -6.66222 17.9449 -6.66217 -9.91449 -32.4237 17.945 -32.4237 1.46831 GPRESSAVG: 1632000 24.5333 -9.53101 16.5201 -6.74438 -8.69732 -33.6106 17.4656 -29.6415 1.10535 TIMING: 1632000 CPU: 5228.12, 0.00315176/step Wall: 5228.12, 0.00315176/step, 2.94865 hours remaining, 231.558594 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: 1632000 3946.1380 20352.9817 14515.1635 242.2342 -203448.2518 2741.0809 0.0000 0.0000 51909.7425 -109740.9109 298.3260 -161650.6533 -109372.7944 298.5680 52.9919 80.5035 763706.7645 5.5501 5.6471 PRESSURE: 1632200 -205.376 -131.454 111.059 -131.454 -103.653 233.626 111.059 233.627 115.949 GPRESSURE: 1632200 -206.592 -42.4026 189.737 -158.586 -43.6336 348.477 155.016 266.422 140.78 PRESSAVG: 1632200 -30.4164 -2.09458 20.5301 -2.09454 -9.72264 -42.469 20.53 -42.469 16.7462 GPRESSAVG: 1632200 -29.8336 -1.09056 20.1946 -1.18511 -9.55088 -41.9844 21.2387 -42.7737 16.4701 TIMING: 1632200 CPU: 5228.75, 0.00315697/step Wall: 5228.75, 0.00315697/step, 2.95334 hours remaining, 231.558594 MB of memory in use. ENERGY: 1632200 4015.5768 20448.0790 14549.2152 256.1595 -203495.8590 2418.8881 0.0000 0.0000 52063.5403 -109744.4001 299.2099 -161807.9404 -109385.4794 298.8591 -64.3600 -36.4819 761968.5325 -7.7976 -7.6381 LDB: ============= START OF LOAD BALANCING ============== 5241.17 LDB: ============== END OF LOAD BALANCING =============== 5241.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5241.18 LDB: ============= START OF LOAD BALANCING ============== 5241.49 LDB: Largest compute 7068 load 0.035736 is 18.3% of average load 0.195399 LDB: Average compute 0.004397 is 2.3% of average load 0.195399 LDB: TIME 5241.49 LOAD: AVG 0.195399 MAX 0.214242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.34 MB LDB: TIME 5241.5 LOAD: AVG 0.195399 MAX 0.214242 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.418 MB LDB: TIME 5241.5 LOAD: AVG 0.195399 MAX 0.214242 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.418 MB LDB: ============== END OF LOAD BALANCING =============== 5241.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5241.5 PRESSURE: 1632400 -201.935 -114.884 -32.543 -114.884 75.9912 -155.484 -32.5441 -155.485 254.525 GPRESSURE: 1632400 -172.702 -49.6481 64.3808 -118.523 33.3613 -177.923 75.6829 -207.59 342.129 PRESSAVG: 1632400 -0.747997 12.9498 10.6319 12.9499 40.5891 2.98396 10.6319 2.98391 -5.20303 GPRESSAVG: 1632400 -0.385149 13.0055 11.1279 12.6052 39.7148 2.50238 10.8151 2.90409 -4.52413 TIMING: 1632400 CPU: 5229.4, 0.00322/step Wall: 5229.4, 0.00322/step, 3.01213 hours remaining, 231.167969 MB of memory in use. ENERGY: 1632400 3939.7402 20566.3292 14540.8112 232.5481 -203793.1509 2852.9337 0.0000 0.0000 51852.6024 -109808.1861 297.9976 -161660.7886 -109437.9533 298.6379 42.8605 67.5962 761043.4849 11.5460 11.6019 PRESSURE: 1632600 357.783 -134.468 -103.42 -134.469 447.025 -101.794 -103.42 -101.794 74.8637 GPRESSURE: 1632600 444.97 5.38183 -3.93738 -123.173 343.058 -178.924 -240.789 36.1515 184.689 PRESSAVG: 1632600 -25.0678 -58.8057 32.0545 -58.8057 49.6167 4.18149 32.0544 4.18145 9.49256 GPRESSAVG: 1632600 -25.5322 -55.5735 32.8541 -60.7969 49.7417 4.03139 32.6301 3.88043 10.0624 TIMING: 1632600 CPU: 5230.02, 0.00314397/step Wall: 5230.02, 0.00314397/step, 2.94084 hours remaining, 231.371094 MB of memory in use. ENERGY: 1632600 3993.8127 20516.4504 14556.3172 256.9311 -203758.9348 2855.0039 0.0000 0.0000 52084.2289 -109496.1905 299.3288 -161580.4194 -109138.1497 298.5630 293.2241 324.2391 759446.5042 11.3471 11.4240 PRESSURE: 1632800 -148.62 -67.9523 -15.9585 -67.952 79.6387 -46.6258 -15.9581 -46.6268 42.6393 GPRESSURE: 1632800 -119.011 -30.1083 -15.708 50.825 29.177 -81.0654 -10.073 -73.357 153.592 PRESSAVG: 1632800 -9.51917 -35.0966 15.1206 -35.0965 11.2221 16.062 15.1206 16.062 13.8632 GPRESSAVG: 1632800 -8.22564 -36.6302 14.5137 -33.6315 10.2037 15.4666 15.5558 14.8575 13.7668 TIMING: 1632800 CPU: 5230.65, 0.00315109/step Wall: 5230.65, 0.00315109/step, 2.94732 hours remaining, 231.371094 MB of memory in use. ENERGY: 1632800 4024.3699 20473.3795 14555.0902 236.5645 -203458.0231 2659.3046 0.0000 0.0000 51925.1590 -109584.1553 298.4146 -161509.3144 -109231.7976 299.0807 -8.7807 21.2526 762098.2038 5.1887 5.2483 PRESSURE: 1633000 36.5163 -144.084 -0.603312 -144.084 33.4523 -16.2944 -0.602967 -16.2932 229.39 GPRESSURE: 1633000 76.3452 -152.801 -50.9191 -135.586 60.3176 89.3255 -56.2918 -75.1534 261.231 PRESSAVG: 1633000 39.3877 -67.3098 -44.8261 -67.3098 -2.55968 10.1858 -44.8261 10.1858 7.19553 GPRESSAVG: 1633000 38.984 -68.768 -45.6526 -65.9987 -2.56656 11.8513 -45.9387 11.2734 7.36817 TIMING: 1633000 CPU: 5231.29, 0.0031634/step Wall: 5231.29, 0.0031634/step, 2.95866 hours remaining, 231.371094 MB of memory in use. ENERGY: 1633000 4061.1672 20687.3989 14461.0731 237.7202 -203441.0099 2492.3053 0.0000 0.0000 51756.8473 -109744.4979 297.4473 -161501.3453 -109392.6608 298.5732 99.7863 132.6312 758594.0065 14.6745 14.5952 PRESSURE: 1633200 -209.47 169.923 -43.4025 169.922 -43.2416 -107.148 -43.4018 -107.149 1.64438 GPRESSURE: 1633200 -100.54 162.902 -54.9411 116.245 -142.014 5.54858 -77.9729 -162.328 73.501 PRESSAVG: 1633200 -24.4508 2.41765 15.8906 2.41777 23.9239 -50.6322 15.8906 -50.6323 -6.74901 GPRESSAVG: 1633200 -23.3399 4.27846 16.4381 0.598224 23.6965 -50.5452 16.2386 -49.0815 -7.6282 TIMING: 1633200 CPU: 5231.92, 0.0031402/step Wall: 5231.92, 0.0031402/step, 2.93678 hours remaining, 231.371094 MB of memory in use. ENERGY: 1633200 4006.4983 20527.8314 14551.4785 236.2574 -203600.3116 2666.7727 0.0000 0.0000 51951.7325 -109659.7408 298.5673 -161611.4733 -109304.0113 298.7567 -83.6892 -56.3510 758837.9840 -2.4253 -2.4239 PRESSURE: 1633400 -109.266 -100.288 -97.6378 -100.288 -232.6 49.1166 -97.6362 49.1172 371.212 GPRESSURE: 1633400 -114.604 2.63591 -115.397 -87.7159 -86.2287 48.5828 -47.8132 33.1426 298.917 PRESSAVG: 1633400 -7.08955 -38.4965 28.6834 -38.4965 15.2474 -11.897 28.6833 -11.897 32.0973 GPRESSAVG: 1633400 -8.56546 -39.4866 30.5928 -36.3078 16.4169 -13.1141 27.4703 -13.0676 31.2474 TIMING: 1633400 CPU: 5232.55, 0.00314779/step Wall: 5232.55, 0.00314779/step, 2.94371 hours remaining, 231.371094 MB of memory in use. ENERGY: 1633400 4027.0557 20443.2459 14500.6755 222.9577 -203561.7095 2676.5737 0.0000 0.0000 51873.0426 -109818.1584 298.1151 -161691.2010 -109454.5619 298.7519 9.7818 32.6947 761119.8436 13.4184 13.0329 PRESSURE: 1633600 253.464 -21.7889 290.331 -21.7884 207.554 -157.368 290.332 -157.369 53.4486 GPRESSURE: 1633600 335.273 51.5165 262.09 -62.2082 246.02 -99.9285 227.369 -113.465 23.5926 PRESSAVG: 1633600 57.7608 -3.66872 3.05573 -3.66873 -38.9104 -19.7563 3.05574 -19.7563 18.0236 GPRESSAVG: 1633600 56.9785 -3.09352 1.75793 -6.82951 -38.1602 -18.3189 4.26093 -19.4765 18.0538 TIMING: 1633600 CPU: 5233.18, 0.00315445/step Wall: 5233.18, 0.00315445/step, 2.94976 hours remaining, 231.371094 MB of memory in use. ENERGY: 1633600 4099.8383 20543.2958 14524.6448 239.7169 -203928.7699 3004.6488 0.0000 0.0000 51911.1832 -109605.4421 298.3343 -161516.6253 -109251.6667 298.4015 171.4889 201.6286 760319.2748 12.2913 12.2907 PRESSURE: 1633800 14.7009 -132.076 -85.1817 -132.076 -314.244 57.9768 -85.182 57.9765 -50.0527 GPRESSURE: 1633800 87.0165 -92.3374 13.6006 -88.5368 -322.991 120.125 -52.1046 -22.096 -26.1414 PRESSAVG: 1633800 41.1362 -83.1733 13.5437 -83.1733 -54.6027 5.53769 13.5436 5.53771 -9.91397 GPRESSAVG: 1633800 41.2454 -82.2137 13.2848 -82.658 -55.3155 4.11862 13.7212 4.89569 -8.99801 TIMING: 1633800 CPU: 5233.81, 0.003161/step Wall: 5233.81, 0.003161/step, 2.95571 hours remaining, 231.371094 MB of memory in use. ENERGY: 1633800 3957.9656 20496.2830 14509.0263 242.0561 -203810.9027 2792.3734 0.0000 0.0000 52062.1590 -109751.0392 299.2019 -161813.1982 -109399.3076 298.5960 -116.5321 -87.3720 761276.7687 -7.7935 -7.6894 PRESSURE: 1634000 9.54029 -27.2353 105.279 -27.2348 129.36 87.6933 105.279 87.6942 361.025 GPRESSURE: 1634000 98.8997 117.005 38.9315 -32.2268 66.8785 64.1778 7.85188 75.3527 420.108 PRESSAVG: 1634000 22.0617 -34.0895 38.8327 -34.0895 -16.3074 20.1054 38.8327 20.1054 -9.70919 GPRESSAVG: 1634000 22.5148 -35.8563 38.9725 -32.7954 -17.1989 21.4141 38.9821 18.416 -9.60846 TIMING: 1634000 CPU: 5234.44, 0.00316711/step Wall: 5234.44, 0.00316711/step, 2.96125 hours remaining, 231.371094 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: 1634000 3937.5902 20618.2375 14565.1397 248.8157 -203587.3112 2719.7418 0.0000 0.0000 51868.8777 -109628.9087 298.0912 -161497.7864 -109262.8373 298.6675 166.6415 195.2954 759971.2548 -1.3183 -1.4309 PRESSURE: 1634200 87.3202 -49.0132 -104.267 -49.013 40.1119 24.9191 -104.267 24.9187 231.884 GPRESSURE: 1634200 87.9277 -63.2327 -128.164 -92.7744 103.988 58.8832 -29.9547 38.3463 245.443 PRESSAVG: 1634200 27.2306 -62.8825 6.50356 -62.8825 -11.5046 14.462 6.50344 14.462 6.61269 GPRESSAVG: 1634200 28.7277 -62.0283 6.8359 -65.2749 -12.2218 13.4901 5.20712 15.3061 6.08588 TIMING: 1634200 CPU: 5235.07, 0.00315005/step Wall: 5235.07, 0.00315005/step, 2.94512 hours remaining, 231.371094 MB of memory in use. ENERGY: 1634200 3963.4217 20644.9822 14574.2382 231.0491 -203834.1871 2660.2699 0.0000 0.0000 52114.6038 -109645.6223 299.5033 -161760.2261 -109288.3544 299.2348 119.7722 145.7863 760088.3579 7.4462 7.5306 PRESSURE: 1634400 -66.3978 -27.3159 -287.767 -27.3155 -146.749 14.9116 -287.767 14.9113 -107.947 GPRESSURE: 1634400 -66.2119 36.2595 -255.306 -10.2133 -145.071 -20.9223 -201.263 6.74209 -24.8431 PRESSAVG: 1634400 58.9956 -53.3442 -9.87375 -53.3443 -14.1064 3.89075 -9.87373 3.89065 14.6223 GPRESSAVG: 1634400 58.1056 -55.0273 -9.08892 -51.192 -12.4948 4.43602 -7.07138 4.98972 14.0101 TIMING: 1634400 CPU: 5235.7, 0.00316159/step Wall: 5235.7, 0.00316159/step, 2.95573 hours remaining, 231.371094 MB of memory in use. ENERGY: 1634400 3952.9424 20587.8112 14562.8132 222.5228 -203735.5432 2514.2853 0.0000 0.0000 52181.6180 -109713.5504 299.8885 -161895.1684 -109343.6888 299.2010 -107.0311 -78.7087 762061.3499 19.8371 19.8736 PRESSURE: 1634600 -172.527 52.2912 18.5742 52.2905 -13.2753 93.6771 18.5746 93.6776 95.183 GPRESSURE: 1634600 -169.149 85.2139 -9.97765 66.9019 54.7209 69.1899 -8.11854 118.871 126.94 PRESSAVG: 1634600 -7.60434 1.45055 18.501 1.45053 1.39755 -5.55169 18.5011 -5.55172 21.0978 GPRESSAVG: 1634600 -7.256 4.29558 18.1585 1.19823 0.960917 -5.00355 14.6379 -6.65285 21.437 TIMING: 1634600 CPU: 5236.33, 0.00315265/step Wall: 5236.33, 0.00315265/step, 2.9472 hours remaining, 231.371094 MB of memory in use. ENERGY: 1634600 3895.4947 20625.6133 14528.4047 263.6095 -203435.7353 2492.3533 0.0000 0.0000 51999.1962 -109631.0636 298.8401 -161630.2597 -109273.0720 298.8511 -30.2065 4.1706 760907.1303 4.9637 5.0473 PRESSURE: 1634800 199.459 182.836 -48.8652 182.836 -170.246 -135.909 -48.8658 -135.909 66.7657 GPRESSURE: 1634800 221.729 253.199 -17.9787 146.544 -120.387 -183.165 -19.5907 -26.4702 84.3655 PRESSAVG: 1634800 42.0871 21.3577 -45.7989 21.3577 -46.0963 -17.0774 -45.7989 -17.0773 -8.97981 GPRESSAVG: 1634800 41.8158 19.2522 -46.4261 21.0362 -45.82 -19.3746 -46.0465 -16.411 -8.85125 TIMING: 1634800 CPU: 5236.97, 0.00317469/step Wall: 5236.97, 0.00317469/step, 2.96763 hours remaining, 231.371094 MB of memory in use. ENERGY: 1634800 4006.3745 20529.1228 14512.6553 244.3475 -203492.5478 2577.2390 0.0000 0.0000 52147.4231 -109475.3855 299.6920 -161622.8086 -109109.3083 299.1605 31.9928 61.9025 761724.9224 -4.3297 -4.2851 PRESSURE: 1635000 14.1062 120.998 -179.787 120.998 67.6542 194.44 -179.787 194.44 221.438 GPRESSURE: 1635000 78.0346 7.20674 -184.877 14.2219 59.1855 169.309 39.7607 142.577 260.998 PRESSAVG: 1635000 26.6475 0.189491 -25.9284 0.189532 -0.767362 -51.0645 -25.9283 -51.0644 8.42685 GPRESSAVG: 1635000 27.7479 -2.26457 -24.3215 -0.00944336 -1.52105 -50.4702 -23.9438 -50.4172 9.00839 TIMING: 1635000 CPU: 5237.6, 0.00314776/step Wall: 5237.6, 0.00314776/step, 2.94228 hours remaining, 231.371094 MB of memory in use. ENERGY: 1635000 3981.7773 20606.6501 14492.0515 233.4665 -203616.8022 2614.8969 0.0000 0.0000 52400.5558 -109287.4041 301.1467 -161687.9599 -108918.7013 299.7795 101.0663 132.7395 760870.6172 11.4357 11.7451 PRESSURE: 1635200 226.543 -138.156 -24.0848 -138.156 -177.126 -98.9468 -24.0855 -98.9471 -347.12 GPRESSURE: 1635200 232.529 -39.9945 -0.0567314 -63.4872 -154.768 -136.802 -51.9939 -95.423 -297.621 PRESSAVG: 1635200 46.6011 -61.5086 -33.95 -61.5086 -24.0846 -25.2742 -33.95 -25.2741 0.546336 GPRESSAVG: 1635200 46.39 -58.5398 -34.4205 -60.8274 -23.1906 -25.0931 -35.0145 -25.7857 -0.199159 TIMING: 1635200 CPU: 5238.23, 0.00314185/step Wall: 5238.23, 0.00314185/step, 2.93659 hours remaining, 231.371094 MB of memory in use. ENERGY: 1635200 3870.8374 20641.1012 14515.7651 235.5416 -203184.3455 2390.6661 0.0000 0.0000 52157.4136 -109373.0204 299.7494 -161530.4341 -109003.0557 299.8003 -99.2343 -73.2867 760853.2842 7.6876 7.6668 PRESSURE: 1635400 144.337 -31.8652 217.148 -31.866 -311.146 -14.7318 217.148 -14.732 -227.605 GPRESSURE: 1635400 140.758 -147.968 41.1797 -33.5078 -248.821 -8.98224 111.275 22.9529 -218.537 PRESSAVG: 1635400 60.4847 -58.3995 -18.5166 -58.3996 -41.3394 -33.3736 -18.5166 -33.3736 -8.8805 GPRESSAVG: 1635400 60.5337 -58.34 -19.1463 -58.4623 -42.0044 -32.6605 -19.2227 -34.7746 -8.40092 TIMING: 1635400 CPU: 5238.85, 0.00313293/step Wall: 5238.85, 0.00313293/step, 2.92807 hours remaining, 231.371094 MB of memory in use. ENERGY: 1635400 3988.5080 20683.9538 14526.7084 254.6956 -203334.4392 2354.0786 0.0000 0.0000 52132.9648 -109393.5299 299.6089 -161526.4947 -109043.5353 299.8766 -131.4713 -108.8666 760345.9994 3.4216 3.3761 PRESSURE: 1635600 228.129 37.3043 -301.23 37.304 60.7154 132.155 -301.231 132.155 316.72 GPRESSURE: 1635600 344.115 6.64563 -246.541 -56.967 120.504 183.297 -179.555 47.1498 213.488 PRESSAVG: 1635600 16.2869 -110.032 -22.05 -110.032 2.25342 -43.7441 -22.05 -43.7442 5.16339 GPRESSAVG: 1635600 16.4547 -111.972 -21.4363 -112.826 2.64253 -42.7305 -20.5708 -44.1256 4.09554 TIMING: 1635600 CPU: 5239.48, 0.00314294/step Wall: 5239.48, 0.00314294/step, 2.93725 hours remaining, 231.371094 MB of memory in use. ENERGY: 1635600 3911.5470 20388.2529 14480.2979 250.7037 -203076.3828 2413.6418 0.0000 0.0000 52046.4749 -109585.4646 299.1118 -161631.9396 -109219.8318 299.0857 201.8545 226.0358 760525.5577 7.9012 7.7309 PRESSURE: 1635800 -408.817 -119.398 -56.5199 -119.398 -336.527 147.257 -56.5202 147.256 -20.9123 GPRESSURE: 1635800 -310.021 -86.9878 38.1802 -66.6642 -356.46 111.699 -87.1251 52.19 -6.01627 PRESSAVG: 1635800 -32.928 -51.9858 -49.6541 -51.9858 33.3397 -52.7403 -49.6541 -52.7403 -20.7006 GPRESSAVG: 1635800 -32.8679 -53.201 -49.6733 -49.1622 33.292 -54.0527 -51.026 -51.089 -20.6715 TIMING: 1635800 CPU: 5240.11, 0.00314564/step Wall: 5240.11, 0.00314564/step, 2.9396 hours remaining, 231.371094 MB of memory in use. ENERGY: 1635800 3908.8239 20496.6259 14498.1423 258.6375 -203001.7590 2361.8620 0.0000 0.0000 51948.1107 -109529.5568 298.5465 -161477.6674 -109181.2327 298.7272 -255.4189 -224.1658 761775.3352 -6.7629 -6.7491 PRESSURE: 1636000 17.5593 -3.75496 53.0153 -3.75522 356.672 70.9277 53.0155 70.9282 -45.9428 GPRESSURE: 1636000 66.7976 -67.161 103.238 90.1427 327.27 85.4128 18.0605 137.933 14.7519 PRESSAVG: 1636000 1.26448 -18.2044 -57.763 -18.2045 7.52226 -3.46774 -57.763 -3.46768 -19.6944 GPRESSAVG: 1636000 1.44755 -15.8678 -57.94 -17.856 6.87057 -4.21155 -56.5024 -3.6652 -18.7614 TIMING: 1636000 CPU: 5240.74, 0.00314084/step Wall: 5240.74, 0.00314084/step, 2.93494 hours remaining, 231.371094 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: 1636000 3975.7394 20533.7455 14440.6872 232.1754 -203197.0554 2396.4386 0.0000 0.0000 52058.6928 -109559.5765 299.1820 -161618.2692 -109210.9491 299.3268 109.4294 136.2732 760138.9372 -3.6359 -3.4811 PRESSURE: 1636200 -248.398 -236.696 20.5975 -236.696 107.577 -214.006 20.5971 -214.007 -129.084 GPRESSURE: 1636200 -229.084 -242.085 -53.8037 -244.678 27.1064 -188.278 -130.765 -148.798 25.1381 PRESSAVG: 1636200 -21.5229 37.0255 -31.2411 37.0255 37.5129 -29.7426 -31.2411 -29.7427 26.8721 GPRESSAVG: 1636200 -22.3111 37.9516 -31.3046 34.8093 36.9918 -29.8768 -31.3835 -28.5743 27.9419 TIMING: 1636200 CPU: 5241.37, 0.00313091/step Wall: 5241.37, 0.00313091/step, 2.92548 hours remaining, 231.371094 MB of memory in use. ENERGY: 1636200 3942.4992 20618.4039 14508.2016 263.2338 -203351.9289 2354.8494 0.0000 0.0000 52087.2882 -109577.4528 299.3464 -161664.7409 -109212.4536 299.0832 -89.9684 -58.9465 759988.2468 14.2873 14.2075 LDB: ============= START OF LOAD BALANCING ============== 5253.78 LDB: ============== END OF LOAD BALANCING =============== 5253.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5253.79 LDB: ============= START OF LOAD BALANCING ============== 5254.1 LDB: Largest compute 7068 load 0.036655 is 18.8% of average load 0.195314 LDB: Average compute 0.004407 is 2.3% of average load 0.195314 LDB: TIME 5254.1 LOAD: AVG 0.195314 MAX 0.211012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.168 MB LDB: TIME 5254.1 LOAD: AVG 0.195314 MAX 0.211012 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.168 MB LDB: TIME 5254.1 LOAD: AVG 0.195314 MAX 0.211012 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.168 MB LDB: ============== END OF LOAD BALANCING =============== 5254.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5254.11 PRESSURE: 1636400 237.048 -39.6924 61.514 -39.693 -320.772 34.7048 61.5139 34.705 -309.438 GPRESSURE: 1636400 236.246 -87.9509 116.758 17.3861 -300.987 17.5274 33.1183 -32.0563 -220.925 PRESSAVG: 1636400 12.664 -34.7464 -34.8596 -34.7464 -4.87081 -45.1651 -34.8596 -45.1651 0.0354941 GPRESSAVG: 1636400 14.336 -36.3297 -34.6623 -31.166 -4.77931 -44.4563 -35.2464 -47.8348 -1.63889 TIMING: 1636400 CPU: 5242, 0.00318927/step Wall: 5242, 0.00318927/step, 2.97984 hours remaining, 231.429688 MB of memory in use. ENERGY: 1636400 4006.9500 20417.8318 14495.8383 243.1479 -203174.1177 2378.4866 0.0000 0.0000 52089.6832 -109542.1799 299.3601 -161631.8630 -109171.1989 299.6451 -131.0542 -95.2220 759849.4631 2.6096 2.6393 PRESSURE: 1636600 -191 -21.8807 45.9955 -21.8803 -533.432 69.2084 45.9962 69.2082 -203.473 GPRESSURE: 1636600 -231.962 -96.9152 -42.884 62.3572 -368.198 68.4543 105.043 43.0179 -236.835 PRESSAVG: 1636600 10.333 -16.7851 -7.61924 -16.7851 15.5378 -22.5637 -7.61918 -22.5638 -16.6699 GPRESSAVG: 1636600 8.27662 -16.9505 -7.78782 -17.3212 16.2794 -24.1857 -6.58176 -21.1218 -15.8526 TIMING: 1636600 CPU: 5242.63, 0.00315031/step Wall: 5242.63, 0.00315031/step, 2.94327 hours remaining, 231.429688 MB of memory in use. ENERGY: 1636600 3973.2644 20542.5193 14548.9792 248.3979 -202905.1231 2014.9350 0.0000 0.0000 51939.2015 -109637.8258 298.4953 -161577.0273 -109267.6978 298.9720 -309.3017 -278.9983 760257.3476 3.0670 2.9012 PRESSURE: 1636800 83.8484 -2.36512 66.404 -2.36466 -187.234 31.0012 66.404 31.0013 -7.75111 GPRESSURE: 1636800 144.856 -17.2459 74.9551 28.3204 -170.55 4.82962 92.6826 68.2778 4.33899 PRESSAVG: 1636800 11.2562 -16.3343 13.3544 -16.3343 -51.2233 -13.2058 13.3544 -13.2058 -9.10808 GPRESSAVG: 1636800 12.5548 -17.2662 13.1593 -17.4674 -50.7431 -13.2159 13.4015 -13.9476 -11.0397 TIMING: 1636800 CPU: 5243.26, 0.00313595/step Wall: 5243.26, 0.00313595/step, 2.92968 hours remaining, 231.429688 MB of memory in use. ENERGY: 1636800 4008.9451 20607.5436 14454.9178 258.2564 -203730.3770 2530.3019 0.0000 0.0000 52004.8616 -109865.5506 298.8727 -161870.4122 -109503.9065 298.5136 -37.0456 -7.1183 758087.4930 -16.3584 -16.4093 PRESSURE: 1637000 232.161 -39.3756 -248.019 -39.3763 -205.421 -221.803 -248.02 -221.803 111.271 GPRESSURE: 1637000 249.746 8.69899 -271.856 -96.5201 -143.152 -272.743 -77.7072 -128.294 125.086 PRESSAVG: 1637000 -5.9455 -44.8566 17.0509 -44.8566 -19.6054 -25.6228 17.0509 -25.6228 -8.01677 GPRESSAVG: 1637000 -6.06725 -45.8248 17.0768 -46.5007 -19.4462 -23.5639 17.3921 -23.6661 -7.88565 TIMING: 1637000 CPU: 5243.89, 0.00312249/step Wall: 5243.89, 0.00312249/step, 2.91693 hours remaining, 231.429688 MB of memory in use. ENERGY: 1637000 3963.3865 20474.8390 14494.2940 253.1381 -203560.5255 2608.3512 0.0000 0.0000 51842.3973 -109924.1193 297.9390 -161766.5166 -109555.6454 298.6456 46.0038 77.2267 760200.8968 -11.1892 -11.1330 PRESSURE: 1637200 -89.7776 -10.0631 1.41032 -10.0642 14.4869 -33.4033 1.41049 -33.4027 121.398 GPRESSURE: 1637200 -90.0693 167.533 82.9253 7.3457 54.8168 -18.104 -23.8973 -55.6863 162.815 PRESSAVG: 1637200 -30.7098 -31.6205 -43.2147 -31.6205 -7.32102 -29.1538 -43.2146 -29.1539 1.43756 GPRESSAVG: 1637200 -31.3504 -29.0543 -43.5803 -31.1919 -7.38139 -29.3308 -42.0387 -30.8855 2.40911 TIMING: 1637200 CPU: 5244.51, 0.00314531/step Wall: 5244.51, 0.00314531/step, 2.93807 hours remaining, 231.429688 MB of memory in use. ENERGY: 1637200 3925.3238 20606.7249 14457.5120 259.8681 -203514.1365 2390.1514 0.0000 0.0000 52093.0178 -109781.5386 299.3793 -161874.5564 -109407.1201 298.4930 15.3692 42.5210 759986.9097 -12.1978 -12.1075 PRESSURE: 1637400 199.772 2.18752 2.08479 2.1881 -85.4148 -29.0944 2.08554 -29.093 -241.662 GPRESSURE: 1637400 310.655 -58.0577 34.7428 1.58574 -98.5716 -73.0223 -51.5689 -18.2997 -251.072 PRESSAVG: 1637400 10.0694 -28.1373 36.4725 -28.1373 -45.7638 -8.50793 36.4725 -8.50779 -3.2181 GPRESSAVG: 1637400 10.3454 -27.5794 37.2657 -28.1958 -46.6829 -8.32024 34.9651 -9.61651 -3.22431 TIMING: 1637400 CPU: 5245.14, 0.00314844/step Wall: 5245.14, 0.00314844/step, 2.94082 hours remaining, 231.429688 MB of memory in use. ENERGY: 1637400 3936.2758 20764.0486 14483.2004 241.4703 -203714.8384 2649.4305 0.0000 0.0000 52031.2999 -109609.1130 299.0246 -161640.4128 -109249.0618 298.9842 -42.4350 -12.9961 761277.3468 -12.9708 -13.1873 PRESSURE: 1637600 -30.0609 -171.366 -41.6278 -171.366 -384.314 -10.5946 -41.6265 -10.5941 3.95635 GPRESSURE: 1637600 27.6583 -119.209 -91.4917 -38.2192 -313.107 13.1598 -40.5237 26.6246 -46.6982 PRESSAVG: 1637600 37.8565 -3.63708 44.7795 -3.6371 -5.06043 -40.0773 44.7795 -40.0773 4.39226 GPRESSAVG: 1637600 38.6103 -4.60179 45.4619 -3.11989 -4.45687 -40.4154 45.138 -39.9613 3.50454 TIMING: 1637600 CPU: 5245.77, 0.00315029/step Wall: 5245.77, 0.00315029/step, 2.94237 hours remaining, 231.429688 MB of memory in use. ENERGY: 1637600 3984.9739 20675.3010 14558.3387 235.1012 -203574.2892 2432.7796 0.0000 0.0000 51991.1724 -109696.6224 298.7940 -161687.7947 -109338.9733 299.4845 -136.8061 -110.7157 759370.8842 12.3961 12.5527 PRESSURE: 1637800 170.691 280.63 315.859 280.631 -172.827 -38.4114 315.858 -38.4114 11.5182 GPRESSURE: 1637800 145.675 272.873 312.658 94.114 -146.439 -139.232 308.259 -9.85328 94.6854 PRESSAVG: 1637800 -10.5411 -4.08251 64.5376 -4.0825 -20.9505 2.46757 64.5377 2.46752 13.6492 GPRESSAVG: 1637800 -11.7359 -2.28907 64.3908 -4.43524 -20.9401 3.24002 62.4255 1.87414 14.8907 TIMING: 1637800 CPU: 5246.4, 0.00314733/step Wall: 5246.4, 0.00314733/step, 2.93943 hours remaining, 231.429688 MB of memory in use. ENERGY: 1637800 4037.4949 20443.5786 14546.7950 244.4294 -203758.1427 2465.4779 0.0000 0.0000 52231.0026 -109789.3643 300.1723 -162020.3669 -109421.4540 299.1613 3.1273 31.3069 759480.1820 -5.9475 -5.9284 PRESSURE: 1638000 141.613 -26.2168 70.3054 -26.2175 40.3215 -91.6882 70.3055 -91.6879 -11.7736 GPRESSURE: 1638000 213.626 -107.092 27.696 36.2792 15.221 -83.3306 82.2075 41.0253 27.8776 PRESSAVG: 1638000 -13.8402 -5.04973 10.1653 -5.0498 -9.92832 53.0282 10.1653 53.0281 -4.83384 GPRESSAVG: 1638000 -12.2108 -5.50566 10.4831 -3.96427 -10.2037 51.813 14.0025 54.3784 -6.48263 TIMING: 1638000 CPU: 5247.03, 0.00315046/step Wall: 5247.03, 0.00315046/step, 2.94218 hours remaining, 231.429688 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: 1638000 3973.7346 20531.9419 14493.7947 253.9361 -203342.4231 2346.0333 0.0000 0.0000 52091.3252 -109651.6573 299.3696 -161742.9824 -109277.2744 299.6886 56.7203 85.5748 759277.2664 -9.5341 -9.6324 PRESSURE: 1638200 64.0355 154.952 -119.913 154.952 206.508 127.066 -119.913 127.067 129.022 GPRESSURE: 1638200 139.451 189.558 -110.783 93.9672 213.283 111.66 -218.442 124.217 139.041 PRESSAVG: 1638200 38.9205 -24.0299 41.2011 -24.0298 7.35855 -9.32311 41.2012 -9.3231 -7.36373 GPRESSAVG: 1638200 38.6613 -23.6356 40.1923 -25.4801 7.34607 -8.12319 40.0354 -9.40073 -7.12969 TIMING: 1638200 CPU: 5247.66, 0.00315076/step Wall: 5247.66, 0.00315076/step, 2.94229 hours remaining, 231.429688 MB of memory in use. ENERGY: 1638200 3953.7364 20508.9673 14505.9281 253.1624 -203746.0724 2671.0762 0.0000 0.0000 52156.9461 -109696.2560 299.7467 -161853.2021 -109322.0399 299.1767 133.1886 163.9249 758194.6042 12.9718 12.9592 PRESSURE: 1638400 -15.1916 130.224 -74.5548 130.224 39.9724 -94.4531 -74.5547 -94.4536 146.06 GPRESSURE: 1638400 155.605 96.8597 -40.1294 144.186 -19.7597 -11.7978 -150.398 36.5883 143.803 PRESSAVG: 1638400 61.2179 -18.3899 -2.90282 -18.3899 -60.5364 -29.0938 -2.90283 -29.0939 4.77054 GPRESSAVG: 1638400 61.7342 -19.8751 -3.20388 -15.9033 -61.6995 -28.1684 -2.27313 -29.8196 5.35528 TIMING: 1638400 CPU: 5248.29, 0.00315146/step Wall: 5248.29, 0.00315146/step, 2.94276 hours remaining, 231.429688 MB of memory in use. ENERGY: 1638400 3947.3431 20576.6579 14481.2448 231.1259 -203384.6159 2431.5098 0.0000 0.0000 52101.2756 -109615.4587 299.4267 -161716.7344 -109251.7165 299.2794 56.9469 93.2160 760830.0645 1.8174 1.7967 PRESSURE: 1638600 239.72 9.46821 69.2676 9.46853 -18.7129 -56.959 69.268 -56.9596 159.522 GPRESSURE: 1638600 221.545 -56.2763 -5.04936 139.934 49.0365 -114.5 14.0852 -68.2668 203.687 PRESSAVG: 1638600 -0.788324 -33.991 -23.9614 -33.991 -41.1047 25.0369 -23.9614 25.0369 -3.29982 GPRESSAVG: 1638600 -2.42615 -33.0453 -24.2709 -35.9232 -39.6918 24.4012 -25.0876 23.9247 -3.00841 TIMING: 1638600 CPU: 5248.93, 0.0031525/step Wall: 5248.93, 0.0031525/step, 2.94356 hours remaining, 231.429688 MB of memory in use. ENERGY: 1638600 4038.4797 20471.5004 14518.3076 251.7818 -203405.8747 2572.6554 0.0000 0.0000 52074.1482 -109479.0017 299.2708 -161553.1498 -109112.4765 299.4192 126.8432 158.0896 759894.5006 -15.0643 -15.0421 PRESSURE: 1638800 -164.153 -20.9783 38.5123 -20.9793 -113.241 13.9049 38.5126 13.9059 -331.536 GPRESSURE: 1638800 -255.528 -51.0483 6.50943 33.3466 -30.4821 -67.3442 73.9541 6.68429 -255.063 PRESSAVG: 1638800 49.2636 -63.0288 12.2357 -63.0288 -26.648 -25.7821 12.2356 -25.7822 4.47842 GPRESSAVG: 1638800 48.9901 -62.6744 14.0874 -64.6983 -26.2861 -27.2293 11.3642 -24.3786 4.30057 TIMING: 1638800 CPU: 5249.55, 0.00312969/step Wall: 5249.55, 0.00312969/step, 2.92208 hours remaining, 231.429688 MB of memory in use. ENERGY: 1638800 3980.4397 20531.6784 14486.6564 269.0030 -203574.5994 2527.4886 0.0000 0.0000 52394.8264 -109384.5071 301.1138 -161779.3335 -109020.1709 300.1497 -202.9766 -180.3577 760368.6547 9.0313 9.0015 PRESSURE: 1639000 13.399 174.819 -193.949 174.819 -114.945 -17.0187 -193.95 -17.0191 -128.108 GPRESSURE: 1639000 41.0857 224.079 -237.808 160.873 -127.283 -41.3583 -147.102 -57.0756 -65.764 PRESSAVG: 1639000 22.1055 19.9224 -1.39972 19.9224 3.16265 -61.4378 -1.39972 -61.4377 -4.14691 GPRESSAVG: 1639000 23.5108 22.3037 -3.16012 22.8715 2.7169 -60.0952 0.502612 -60.7035 -4.82004 TIMING: 1639000 CPU: 5250.18, 0.00315246/step Wall: 5250.18, 0.00315246/step, 2.94317 hours remaining, 231.429688 MB of memory in use. ENERGY: 1639000 4021.6065 20673.4528 14436.5478 258.2837 -203538.6785 2736.4171 0.0000 0.0000 51879.8490 -109532.5216 298.1542 -161412.3705 -109176.0907 299.6589 -76.5514 -50.6539 760100.0582 7.0404 7.1359 PRESSURE: 1639200 -11.5134 194.054 109.248 194.054 249.794 -211.178 109.247 -211.177 -28.9193 GPRESSURE: 1639200 25.3296 145.917 85.0632 122.868 272.056 -304.441 -55.8202 -159.77 -3.34411 PRESSAVG: 1639200 -4.1651 -15.1102 -3.51199 -15.1103 2.86748 -68.9236 -3.51194 -68.9237 38.1087 GPRESSAVG: 1639200 -4.37475 -19.1637 -1.75403 -15.7296 2.18747 -68.2125 -6.59221 -68.7812 39.0682 TIMING: 1639200 CPU: 5250.81, 0.00316421/step Wall: 5250.81, 0.00316421/step, 2.95396 hours remaining, 231.429688 MB of memory in use. ENERGY: 1639200 3945.1423 20495.2808 14441.0850 249.2177 -203028.9837 2336.6955 0.0000 0.0000 51996.5519 -109565.0107 298.8249 -161561.5626 -109196.9587 299.2246 69.7871 98.0139 759708.7049 12.2703 12.2936 PRESSURE: 1639400 -32.9324 36.2348 54.3742 36.2349 -290.04 -4.752 54.3748 -4.75267 20.3649 GPRESSURE: 1639400 8.16921 15.179 94.2524 -13.4377 -256.798 83.6681 17.0602 -51.5649 50.3608 PRESSAVG: 1639400 77.9987 -14.3161 8.82282 -14.3161 -49.9889 -56.4505 8.82288 -56.4505 -12.3705 GPRESSAVG: 1639400 77.8799 -13.7512 7.50561 -17.1514 -50.649 -56.8356 10.2097 -58.4585 -11.5148 TIMING: 1639400 CPU: 5251.45, 0.00315594/step Wall: 5251.45, 0.00315594/step, 2.94607 hours remaining, 231.429688 MB of memory in use. ENERGY: 1639400 3997.4720 20524.9717 14412.3599 238.6763 -203368.9980 2600.2509 0.0000 0.0000 52205.0929 -109390.1743 300.0234 -161595.2672 -109028.6048 299.2715 -100.8692 -66.0895 762003.0078 5.2131 5.2387 PRESSURE: 1639600 -153.677 66.2122 286.506 66.2125 -345.251 -1.84275 286.505 -1.84285 -132.414 GPRESSURE: 1639600 -80.4401 91.5845 197.328 141.224 -330.834 -7.45558 269.922 -7.28629 -115.654 PRESSAVG: 1639600 -44.7868 -14.2295 -10.5264 -14.2296 -8.80477 -41.2389 -10.5264 -41.2388 2.37311 GPRESSAVG: 1639600 -45.7984 -14.539 -9.24151 -11.4994 -6.6693 -41.1029 -9.77786 -40.2432 1.02058 TIMING: 1639600 CPU: 5252.08, 0.00316395/step Wall: 5252.08, 0.00316395/step, 2.95337 hours remaining, 231.429688 MB of memory in use. ENERGY: 1639600 3955.1466 20468.1824 14498.5954 222.4012 -203366.8712 2409.7234 0.0000 0.0000 52219.7346 -109593.0876 300.1075 -161812.8222 -109218.3665 298.9856 -210.4472 -175.6427 760529.8443 -17.0728 -17.1490 PRESSURE: 1639800 -186.718 31.4263 -145.842 31.4266 55.4281 -82.3524 -145.842 -82.353 54.2499 GPRESSURE: 1639800 -151.876 -18.7977 -164.79 -59.9421 56.9143 -100.619 -243.274 -55.6654 86.8462 PRESSAVG: 1639800 -14.4198 -50.0703 6.60356 -50.0703 41.365 -16.7436 6.60362 -16.7435 11.4001 GPRESSAVG: 1639800 -13.7402 -49.372 3.84534 -51.2063 40.9525 -16.8043 5.21082 -15.9008 11.7128 TIMING: 1639800 CPU: 5252.71, 0.00316312/step Wall: 5252.71, 0.00316312/step, 2.95242 hours remaining, 231.429688 MB of memory in use. ENERGY: 1639800 3936.7544 20546.4655 14444.9531 267.3025 -203327.8726 2392.3259 0.0000 0.0000 52035.4884 -109704.5827 299.0487 -161740.0711 -109339.0462 299.5241 -25.6799 -2.7051 760086.6852 12.7818 12.9750 PRESSURE: 1640000 177.259 31.368 54.6714 31.3671 -188.081 20.2885 54.6719 20.2893 -344.287 GPRESSURE: 1640000 135.714 126.834 12.4229 137.759 -143.445 60.4302 91.1284 -20.372 -249.695 PRESSAVG: 1640000 -19.2037 -46.6246 -61.2587 -46.6246 24.0714 -18.4992 -61.2587 -18.4992 -2.91539 GPRESSAVG: 1640000 -18.5722 -46.3319 -61.6693 -46.8608 23.3877 -19.1934 -59.9955 -19.6613 -2.49214 TIMING: 1640000 CPU: 5253.34, 0.00315282/step Wall: 5253.34, 0.00315282/step, 2.94263 hours remaining, 231.429688 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: 1640000 4070.2006 20661.8827 14512.6643 260.0406 -203472.8216 2592.4857 0.0000 0.0000 51883.7369 -109491.8108 298.1765 -161375.5477 -109140.7546 299.4541 -118.3696 -85.8087 759488.8502 0.6508 0.7745 PRESSURE: 1640200 -378.347 180.844 -259.116 180.844 -216.401 63.9317 -259.116 63.9322 -100.811 GPRESSURE: 1640200 -291.479 119.5 -170.203 89.9512 -210.842 -74.4556 -324.871 -63.9107 -115.497 PRESSAVG: 1640200 7.95606 -16.8796 -25.578 -16.8795 -22.8816 -3.11594 -25.5779 -3.11589 -6.22899 GPRESSAVG: 1640200 8.10399 -18.5269 -23.763 -17.135 -22.5318 -2.34154 -26.1158 -2.18691 -6.96365 TIMING: 1640200 CPU: 5253.97, 0.00314869/step Wall: 5253.97, 0.00314869/step, 2.9386 hours remaining, 231.429688 MB of memory in use. ENERGY: 1640200 4006.0329 20516.1486 14527.6056 242.3615 -203210.1297 2233.8389 0.0000 0.0000 52244.6601 -109439.4821 300.2508 -161684.1422 -109075.3949 299.5596 -231.8530 -205.9392 760256.9923 -7.0515 -7.1305 LDB: ============= START OF LOAD BALANCING ============== 5266.39 LDB: ============== END OF LOAD BALANCING =============== 5266.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5266.4 LDB: ============= START OF LOAD BALANCING ============== 5266.71 LDB: Largest compute 7033 load 0.033741 is 17.3% of average load 0.195447 LDB: Average compute 0.004391 is 2.2% of average load 0.195447 LDB: TIME 5266.72 LOAD: AVG 0.195447 MAX 0.210737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 5266.72 LOAD: AVG 0.195447 MAX 0.210737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: TIME 5266.72 LOAD: AVG 0.195447 MAX 0.210737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: ============== END OF LOAD BALANCING =============== 5266.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5266.73 PRESSURE: 1640400 59.2521 -15.7967 -44.7092 -15.7967 -477.451 -172.919 -44.7091 -172.919 -103.912 GPRESSURE: 1640400 74.5471 9.63702 -53.3436 35.363 -427.993 -150.251 -144.8 -136.247 -93.6267 PRESSAVG: 1640400 5.15591 9.0466 -18.7661 9.04661 -24.1319 -54.0179 -18.7661 -54.0179 -25.8797 GPRESSAVG: 1640400 4.448 8.98231 -19.8079 9.40157 -23.6928 -54.8636 -19.0212 -52.3508 -25.4899 TIMING: 1640400 CPU: 5254.62, 0.00324041/step Wall: 5254.62, 0.00324041/step, 3.02402 hours remaining, 231.679688 MB of memory in use. ENERGY: 1640400 3993.1814 20461.3422 14453.9525 261.0187 -202989.5404 2085.7118 0.0000 0.0000 52164.1174 -109570.2166 299.7879 -161734.3340 -109208.2252 299.7054 -174.0367 -149.0243 760200.7150 -14.9519 -14.9116 PRESSURE: 1640600 -185.687 74.291 -1.13559 74.2912 79.9161 -118.249 -1.13607 -118.25 -56.9908 GPRESSURE: 1640600 -136.811 -50.8597 33.2537 140.968 173.153 -93.7216 12.8952 -114.366 -106.792 PRESSAVG: 1640600 41.6922 25.329 16.5042 25.329 -36.6021 -20.4616 16.5042 -20.4616 8.54404 GPRESSAVG: 1640600 42.2072 29.1329 17.8729 24.6164 -37.6461 -20.1577 16.3341 -23.9128 8.66853 TIMING: 1640600 CPU: 5255.25, 0.00316773/step Wall: 5255.25, 0.00316773/step, 2.95602 hours remaining, 231.882812 MB of memory in use. ENERGY: 1640600 3949.6034 20443.1234 14480.8327 255.1389 -203132.5996 2216.5767 0.0000 0.0000 52138.8774 -109648.4472 299.6428 -161787.3246 -109282.3555 298.8530 -54.2540 -23.4832 759311.3203 4.5447 4.4099 PRESSURE: 1640800 106.738 -115.549 -136.275 -115.548 -178.551 -127.499 -136.276 -127.499 -67.9676 GPRESSURE: 1640800 93.742 -78.9368 -131.517 -74.8353 -128.129 -147.108 -171.109 -105.85 -26.4399 PRESSAVG: 1640800 46.1756 -13.3642 1.41374 -13.3642 -24.1231 -95.7659 1.41371 -95.7659 -13.7392 GPRESSAVG: 1640800 48.886 -14.5954 1.0292 -11.6779 -25.1816 -96.2464 1.17086 -94.9196 -15.3372 TIMING: 1640800 CPU: 5255.88, 0.00314624/step Wall: 5255.88, 0.00314624/step, 2.93579 hours remaining, 231.882812 MB of memory in use. ENERGY: 1640800 3949.2575 20562.9718 14450.6008 253.6219 -203449.7365 2385.6199 0.0000 0.0000 52232.5571 -109615.1075 300.1812 -161847.6646 -109236.4140 299.1772 -46.5936 -20.2757 760318.1507 2.7711 2.7891 PRESSURE: 1641000 -181.925 209.993 -87.4857 209.993 -63.8736 144.744 -87.485 144.744 286.817 GPRESSURE: 1641000 -79.5291 212.084 -128.668 272.842 -95.1629 151.215 -105.704 142.299 295.478 PRESSAVG: 1641000 -8.38525 -50.1598 -26.2206 -50.1598 23.8333 -12.7626 -26.2206 -12.7625 1.5416 GPRESSAVG: 1641000 -10.7337 -51.5288 -26.9809 -49.9134 24.5907 -13.6337 -24.2853 -11.4104 3.79261 TIMING: 1641000 CPU: 5256.52, 0.00317332/step Wall: 5256.52, 0.00317332/step, 2.96089 hours remaining, 231.882812 MB of memory in use. ENERGY: 1641000 3993.9083 20519.7115 14440.7831 240.6167 -203389.1805 2464.7691 0.0000 0.0000 51905.2422 -109824.1496 298.3001 -161729.3918 -109472.7068 298.6557 13.6728 40.2619 759076.4584 5.6632 5.8832 PRESSURE: 1641200 53.9721 80.3851 138.898 80.3852 -193.356 245.964 138.898 245.965 -199.971 GPRESSURE: 1641200 72.5898 34.832 73.8936 2.08747 -124.189 244.383 182.718 118.498 -202.914 PRESSAVG: 1641200 5.16949 -36.4041 7.84744 -36.4042 1.53777 -37.0311 7.84748 -37.0311 2.61793 GPRESSAVG: 1641200 6.70933 -36.8913 7.10738 -37.0231 1.87788 -36.2303 7.16658 -38.1957 0.777646 TIMING: 1641200 CPU: 5257.15, 0.00315109/step Wall: 5257.15, 0.00315109/step, 2.93996 hours remaining, 231.882812 MB of memory in use. ENERGY: 1641200 4051.0641 20581.1097 14450.6060 229.3677 -203317.7494 2296.6000 0.0000 0.0000 51905.7925 -109803.2094 298.3033 -161709.0019 -109441.6752 298.6242 -113.1183 -84.8380 760882.6863 3.1084 3.1216 PRESSURE: 1641400 -428.496 -24.2762 -180.061 -24.2762 -142.498 -0.742045 -180.061 -0.742138 65.0458 GPRESSURE: 1641400 -469.762 -43.712 -145.673 -87.2538 -53.0087 32.6087 -156.76 120.638 94.6423 PRESSAVG: 1641400 20.063 -12.2627 -38.782 -12.2627 -48.2182 -9.1218 -38.782 -9.12177 -18.8103 GPRESSAVG: 1641400 19.0137 -12.4604 -38.5326 -12.7033 -47.2839 -9.36593 -37.4103 -10.1847 -18.9066 TIMING: 1641400 CPU: 5257.78, 0.00314879/step Wall: 5257.78, 0.00314879/step, 2.93765 hours remaining, 231.882812 MB of memory in use. ENERGY: 1641400 3968.7295 20524.4292 14508.8746 233.3543 -203445.4893 2388.0632 0.0000 0.0000 52022.5806 -109799.4579 298.9745 -161822.0385 -109434.5745 299.0674 -168.6495 -142.7095 758184.6775 -15.6552 -15.7256 PRESSURE: 1641600 45.6054 51.8896 -34.7112 51.8894 -2.41387 132.003 -34.7127 132.002 -255.69 GPRESSURE: 1641600 166.619 23.3776 -102.351 -14.6941 -38.1853 186.276 -20.2347 199.125 -271.711 PRESSAVG: 1641600 -52.4031 -17.3211 6.61737 -17.3212 -5.71001 -1.2322 6.6174 -1.23224 1.61994 GPRESSAVG: 1641600 -51.9672 -15.6209 11.5388 -18.2677 -6.48478 -1.52398 3.54404 -0.295463 1.59545 TIMING: 1641600 CPU: 5258.4, 0.00313723/step Wall: 5258.4, 0.00313723/step, 2.92668 hours remaining, 231.882812 MB of memory in use. ENERGY: 1641600 3979.2316 20481.2127 14446.4069 241.2034 -203402.0772 2392.7346 0.0000 0.0000 52180.2409 -109681.0471 299.8806 -161861.2880 -109317.6778 298.6605 -70.8329 -47.7589 760977.4893 -18.8311 -18.9522 PRESSURE: 1641800 -203.756 52.4018 7.30563 52.402 -229.732 42.7589 7.30557 42.7581 -233.292 GPRESSURE: 1641800 -156.291 -37.8338 35.8948 -26.2907 -226.912 162.646 28.8002 86.5369 -181.559 PRESSAVG: 1641800 -46.8635 -29.0318 -20.4147 -29.0319 38.7194 11.2159 -20.4147 11.2159 -2.72319 GPRESSAVG: 1641800 -47.6906 -31.0852 -21.6217 -29.6615 38.6942 11.2709 -19.3377 9.69541 -2.51118 TIMING: 1641800 CPU: 5259.03, 0.0031447/step Wall: 5259.03, 0.0031447/step, 2.93348 hours remaining, 231.882812 MB of memory in use. ENERGY: 1641800 4000.3112 20552.6448 14434.8982 231.5637 -202940.1619 2189.1834 0.0000 0.0000 52125.5615 -109405.9992 299.5663 -161531.5607 -109050.2652 299.6774 -222.2600 -188.2541 760525.5476 -3.6224 -3.8359 PRESSURE: 1642000 -27.6947 8.33342 -48.1854 8.33322 56.6717 116.813 -48.1853 116.813 -172.567 GPRESSURE: 1642000 -10.1282 -9.7515 -126.47 93.0248 77.0021 50.8659 112.686 38.1624 -108.842 PRESSAVG: 1642000 -19.4013 10.2353 1.14508 10.2353 3.70873 20.1615 1.14512 20.1614 -7.1457 GPRESSAVG: 1642000 -20.113 11.0878 -0.589815 12.4476 4.78353 21.0657 2.70421 22.3813 -7.23271 TIMING: 1642000 CPU: 5259.66, 0.00315769/step Wall: 5259.66, 0.00315769/step, 2.94542 hours remaining, 231.882812 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: 1642000 3984.9453 20414.7323 14522.9158 264.4347 -203221.8407 2377.4241 0.0000 0.0000 52130.3707 -109527.0179 299.5940 -161657.3886 -109156.2870 299.6293 -47.8634 -13.9893 761532.9613 -7.6127 -7.5207 PRESSURE: 1642200 -211.228 -64.1342 116.146 -64.1348 -287.273 -125.049 116.145 -125.05 178.526 GPRESSURE: 1642200 -167.433 -83.9211 101.714 49.6929 -229.562 -67.4661 164.551 -249.742 163.113 PRESSAVG: 1642200 -26.8128 3.80199 13.1698 3.80207 62.172 -20.5442 13.1699 -20.5442 -4.65937 GPRESSAVG: 1642200 -26.4932 3.35331 15.1087 2.73114 60.8695 -21.3148 9.54465 -20.0911 -4.62582 TIMING: 1642200 CPU: 5260.29, 0.00313726/step Wall: 5260.29, 0.00313726/step, 2.92619 hours remaining, 231.882812 MB of memory in use. ENERGY: 1642200 3971.1394 20464.8451 14632.5570 265.6912 -203377.8993 2317.8647 0.0000 0.0000 52223.4430 -109502.3590 300.1288 -161725.8020 -109134.5419 299.4152 -106.6583 -77.9609 760931.0443 10.2333 9.9168 PRESSURE: 1642400 -144.473 -150.252 -145.658 -150.252 36.5231 -197.149 -145.658 -197.149 -233.307 GPRESSURE: 1642400 -145.219 -87.2054 -110.412 -128.967 56.1974 -108.974 -57.4582 -127.816 -150.177 PRESSAVG: 1642400 -16.3841 -27.9458 3.87754 -27.9459 0.904413 -25.6237 3.87752 -25.6236 0.897956 GPRESSAVG: 1642400 -16.7331 -27.53 3.22468 -28.4757 1.29334 -27.0351 6.08398 -23.5246 1.27654 TIMING: 1642400 CPU: 5260.92, 0.00314011/step Wall: 5260.92, 0.00314011/step, 2.92868 hours remaining, 231.882812 MB of memory in use. ENERGY: 1642400 4080.4564 20444.5550 14533.6470 227.4808 -203362.5488 2598.5846 0.0000 0.0000 51908.5278 -109569.2972 298.3190 -161477.8250 -109196.3325 299.0293 -113.7523 -79.7328 759680.0633 -4.8606 -4.7211 PRESSURE: 1642600 -381.859 -78.7518 179.128 -78.7524 -235.846 235.06 179.129 235.06 146.689 GPRESSURE: 1642600 -202.147 -114.243 80.9766 -189.246 -292.252 216.311 176.084 178.473 124.639 PRESSAVG: 1642600 24.6226 -38.2907 11.9753 -38.2908 -51.1974 -23.2694 11.9753 -23.2694 0.289078 GPRESSAVG: 1642600 23.8692 -37.6233 10.1412 -36.804 -50.3245 -21.7884 11.9657 -25.169 0.568528 TIMING: 1642600 CPU: 5261.55, 0.0031471/step Wall: 5261.55, 0.0031471/step, 2.93502 hours remaining, 231.882812 MB of memory in use. ENERGY: 1642600 3956.4069 20413.6522 14527.6872 240.8415 -203208.8390 2256.9434 0.0000 0.0000 52044.8245 -109768.4833 299.1023 -161813.3078 -109399.6237 299.2368 -157.0052 -123.2534 759960.9515 -8.7619 -8.6289 PRESSURE: 1642800 169.886 -10.242 166.683 -10.2416 264.205 -22.2543 166.683 -22.2544 194.006 GPRESSURE: 1642800 218.95 -146.568 205.579 -57.7545 314.813 7.53329 258.649 -157.788 180.464 PRESSAVG: 1642800 13.1337 -40.1609 -30.9995 -40.1609 -44.8017 -10.6957 -30.9995 -10.6957 26.5498 GPRESSAVG: 1642800 15.0643 -42.0824 -29.4987 -40.6859 -46.0909 -9.27903 -32.9001 -11.4175 26.1929 TIMING: 1642800 CPU: 5262.18, 0.00314059/step Wall: 5262.18, 0.00314059/step, 2.92877 hours remaining, 231.882812 MB of memory in use. ENERGY: 1642800 4010.0539 20476.6912 14489.7755 251.1930 -204090.5969 2827.4880 0.0000 0.0000 52004.6081 -110030.7873 298.8712 -162035.3954 -109674.8679 298.9528 209.3656 238.0755 757938.1817 -1.7061 -1.6113 PRESSURE: 1643000 187.321 -79.1907 139.798 -79.1907 -495.017 -46.869 139.799 -46.8694 -356.679 GPRESSURE: 1643000 116.8 -53.7302 218.832 -84.3355 -345.696 -87.2505 32.6701 -58.1619 -342.653 PRESSAVG: 1643000 92.7885 -32.8794 6.78172 -32.8794 -64.2167 -25.9412 6.78168 -25.9413 18.0661 GPRESSAVG: 1643000 91.1208 -33.1439 7.68163 -31.899 -63.6551 -27.261 8.89432 -25.4596 18.5868 TIMING: 1643000 CPU: 5262.81, 0.00315236/step Wall: 5262.81, 0.00315236/step, 2.93958 hours remaining, 231.882812 MB of memory in use. ENERGY: 1643000 4081.4177 20442.8113 14447.5327 251.1095 -203880.5176 2467.8921 0.0000 0.0000 52095.8883 -110093.8661 299.3958 -162189.7543 -109724.7483 298.2267 -221.4582 -190.5164 760070.0896 15.5459 15.3508 PRESSURE: 1643200 83.1509 -82.1957 -2.73167 -82.195 179.056 -8.74071 -2.73115 -8.74042 -20.2428 GPRESSURE: 1643200 109.764 1.91539 -3.8125 -88.5622 164.637 47.2345 25.1477 15.0194 58.6229 PRESSAVG: 1643200 49.0724 21.3578 -31.3951 21.3578 -31.8517 7.0587 -31.395 7.05871 -1.9872 GPRESSAVG: 1643200 49.8241 21.7492 -33.1994 21.0718 -31.6892 6.77542 -31.8018 6.8255 -2.4936 TIMING: 1643200 CPU: 5263.43, 0.00312919/step Wall: 5263.43, 0.00312919/step, 2.91779 hours remaining, 231.882812 MB of memory in use. ENERGY: 1643200 3928.2024 20643.5035 14439.9490 243.0263 -204007.7392 2567.7709 0.0000 0.0000 52249.0221 -109936.2649 300.2758 -162185.2871 -109576.1725 298.4230 80.6548 111.0078 759229.8939 5.0778 5.2138 PRESSURE: 1643400 -21.0683 -57.3477 10.8916 -57.3485 27.3208 30.7895 10.8923 30.7901 -464.845 GPRESSURE: 1643400 67.2437 -72.2174 -31.4391 11.622 -28.3269 -49.0171 -21.1681 108.534 -397.117 PRESSAVG: 1643400 -14.801 30.2082 -22.4203 30.2081 -49.6205 8.28215 -22.4203 8.28217 35.2087 GPRESSAVG: 1643400 -12.646 31.3785 -20.633 29.1523 -50.8117 8.35944 -21.3663 8.82387 34.5252 TIMING: 1643400 CPU: 5264.06, 0.003142/step Wall: 5264.06, 0.003142/step, 2.92957 hours remaining, 231.882812 MB of memory in use. ENERGY: 1643400 3978.6261 20644.8232 14556.7869 221.5297 -203755.7176 2604.0551 0.0000 0.0000 51973.3181 -109776.5784 298.6914 -161749.8965 -109413.2888 299.3860 -152.8640 -119.4000 759546.7855 -9.7376 -9.6441 PRESSURE: 1643600 36.2551 154.161 100.529 154.161 15.2305 -30.1146 100.529 -30.1142 -66.9927 GPRESSURE: 1643600 29.0892 177.886 47.3443 67.3382 143.387 -53.0857 151.906 26.1763 -88.1297 PRESSAVG: 1643600 -35.737 33.9686 -19.3846 33.9686 1.95701 -18.6148 -19.3846 -18.6148 0.899612 GPRESSAVG: 1643600 -36.1289 33.4446 -19.1507 35.3466 2.07849 -18.3566 -20.3145 -18.5188 1.04073 TIMING: 1643600 CPU: 5264.69, 0.00314401/step Wall: 5264.69, 0.00314401/step, 2.93127 hours remaining, 231.882812 MB of memory in use. ENERGY: 1643600 3980.7541 20505.2575 14499.5115 259.4173 -203617.9289 2610.2238 0.0000 0.0000 52128.5604 -109634.2043 299.5836 -161762.7647 -109272.4201 299.4967 -5.1690 28.1155 760564.9829 -10.9601 -11.0032 PRESSURE: 1643800 -312.212 -58.7894 -172.706 -58.7906 -201.805 -170.36 -172.706 -170.361 -142.398 GPRESSURE: 1643800 -332.021 -121.178 -103.524 -55.712 -106.781 -144.308 -201.106 -6.34044 -125.582 PRESSAVG: 1643800 -0.579298 26.0205 -55.8376 26.0206 -2.33508 5.52455 -55.8376 5.52454 -8.63527 GPRESSAVG: 1643800 -3.03381 24.8463 -56.0787 23.4302 -1.04129 4.29015 -57.9164 6.20303 -7.0142 TIMING: 1643800 CPU: 5265.32, 0.00315466/step Wall: 5265.32, 0.00315466/step, 2.94102 hours remaining, 231.882812 MB of memory in use. ENERGY: 1643800 4001.1662 20748.1737 14484.2471 236.2554 -203666.9178 2395.6591 0.0000 0.0000 51901.4646 -109899.9518 298.2784 -161801.4164 -109542.6269 298.7505 -218.8051 -188.1280 761099.2094 -3.8499 -3.6964 PRESSURE: 1644000 184.457 -48.6726 79.452 -48.6728 -271.916 18.3563 79.4514 18.3573 -500.993 GPRESSURE: 1644000 212.433 -95.461 9.67198 -42.5073 -250.125 16.8349 42.6869 106.243 -459.414 PRESSAVG: 1644000 33.6066 4.51243 -83.1169 4.51244 -32.7566 -21.5037 -83.1169 -21.5037 -7.21757 GPRESSAVG: 1644000 35.6811 5.63369 -85.3305 6.05447 -33.0764 -21.2173 -80.6822 -20.4655 -9.01812 TIMING: 1644000 CPU: 5265.96, 0.0031852/step Wall: 5265.96, 0.00318521/step, 2.96932 hours remaining, 231.882812 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: 1644000 3973.9704 20599.5162 14437.3494 250.9541 -203779.1566 2585.0693 0.0000 0.0000 52030.3962 -109901.9010 299.0194 -161932.2972 -109539.2099 298.8004 -196.1507 -165.7019 761506.9711 -2.1225 -2.1378 PRESSURE: 1644200 -158.104 -286.041 -198.669 -286.041 -55.7984 -2.84157 -198.668 -2.8413 -83.8724 GPRESSURE: 1644200 -158.958 -314.265 -180.018 -192.072 -35.1501 -36.0321 -173.23 -57.3306 -7.13196 PRESSAVG: 1644200 19.1362 -19.5771 -16.1217 -19.5771 -39.3709 -23.0774 -16.1216 -23.0773 -3.09295 GPRESSAVG: 1644200 18.81 -18.5491 -13.1621 -18.541 -38.56 -20.8671 -16.4402 -27.2508 -3.35107 TIMING: 1644200 CPU: 5266.6, 0.00319527/step Wall: 5266.6, 0.00319527/step, 2.97853 hours remaining, 231.882812 MB of memory in use. ENERGY: 1644200 3970.7054 20610.2846 14525.0422 241.0058 -203900.1729 2487.3616 0.0000 0.0000 51900.7972 -110164.9761 298.2746 -162065.7733 -109801.1645 298.1775 -99.2583 -67.0801 761802.4869 -7.7759 -7.7003 LDB: ============= START OF LOAD BALANCING ============== 5279.02 LDB: ============== END OF LOAD BALANCING =============== 5279.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5279.02 LDB: ============= START OF LOAD BALANCING ============== 5279.34 LDB: Largest compute 7068 load 0.034694 is 17.8% of average load 0.195352 LDB: Average compute 0.004393 is 2.2% of average load 0.195352 LDB: TIME 5279.34 LOAD: AVG 0.195352 MAX 0.211319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.129 MB LDB: TIME 5279.34 LOAD: AVG 0.195352 MAX 0.211319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.203 MB LDB: TIME 5279.34 LOAD: AVG 0.195352 MAX 0.211319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.203 MB LDB: ============== END OF LOAD BALANCING =============== 5279.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5279.35 PRESSURE: 1644400 173.429 -34.6646 -124.19 -34.6651 -222.078 -54.3664 -124.189 -54.3668 19.0056 GPRESSURE: 1644400 194.125 -113.828 -111.724 -69.7343 -229.741 -31.0937 -36.7639 -96.5165 81.7771 PRESSAVG: 1644400 32.7698 -33.4144 20.4651 -33.4144 -57.7434 -43.8018 20.465 -43.8018 15.145 GPRESSAVG: 1644400 32.5299 -35.0432 18.3111 -34.5861 -58.3908 -45.0502 20.0839 -41.3063 16.2201 TIMING: 1644400 CPU: 5267.24, 0.00321995/step Wall: 5267.24, 0.00321994/step, 3.00135 hours remaining, 230.789062 MB of memory in use. ENERGY: 1644400 3917.3678 20480.0980 14548.5122 234.3628 -204047.8477 2575.7930 0.0000 0.0000 52145.8385 -110145.8754 299.6829 -162291.7139 -109785.0041 298.2332 -9.8811 15.3869 759431.7585 -3.2762 -3.2136 PRESSURE: 1644600 84.4968 162.142 -76.6032 162.142 94.2616 -106.78 -76.6017 -106.78 479.595 GPRESSURE: 1644600 54.1092 76.3018 -119.901 54.0158 198.428 -115.723 -141.463 -83.4001 490.054 PRESSAVG: 1644600 34.2952 -48.5395 -46.8586 -48.5394 -16.8091 -73.8583 -46.8585 -73.8584 -5.88083 GPRESSAVG: 1644600 34.3976 -47.4916 -47.1578 -49.6978 -17.0792 -73.4384 -47.3899 -74.2409 -5.659 TIMING: 1644600 CPU: 5267.87, 0.00314163/step Wall: 5267.87, 0.00314163/step, 2.92817 hours remaining, 230.789062 MB of memory in use. ENERGY: 1644600 3968.8757 20506.8575 14533.1392 257.0638 -203715.8574 2622.8465 0.0000 0.0000 51734.1037 -110092.9711 297.3166 -161827.0748 -109727.5193 298.2021 219.4510 247.5304 760732.0582 3.8684 3.8865 PRESSURE: 1644800 156.393 111.002 -10.3519 111.002 -19.9163 -94.7876 -10.3512 -94.7877 249.131 GPRESSURE: 1644800 119.989 84.4993 -48.4255 -9.9805 74.147 -85.7997 54.8441 29.3615 279.093 PRESSAVG: 1644800 9.35847 -7.8704 -29.5271 -7.87039 -44.4247 -62.0289 -29.5271 -62.029 -0.684153 GPRESSAVG: 1644800 9.60269 -10.0827 -30.5358 -5.85511 -43.4026 -60.9218 -28.3473 -64.3108 -1.97249 TIMING: 1644800 CPU: 5268.5, 0.00316137/step Wall: 5268.5, 0.00316137/step, 2.9464 hours remaining, 230.789062 MB of memory in use. ENERGY: 1644800 3895.0357 20646.8950 14519.8795 236.0537 -203665.1286 2466.1447 0.0000 0.0000 51727.7622 -110173.3577 297.2802 -161901.1200 -109816.9240 297.4695 128.5358 157.7429 760865.1112 -11.9168 -11.9241 PRESSURE: 1645000 122.119 -75.5985 -68.0326 -75.5972 -35.8298 134.989 -68.0317 134.988 -208.399 GPRESSURE: 1645000 127.996 46.5443 -27.7232 -41.2659 -9.44876 225.202 -9.04605 156.731 -147.372 PRESSAVG: 1645000 47.9406 -65.8041 18.1287 -65.8041 -29.3271 7.4017 18.1288 7.40168 -21.7189 GPRESSAVG: 1645000 48.9737 -63.1681 19.3655 -67.9278 -31.4 5.64823 17.6078 8.14797 -20.7147 TIMING: 1645000 CPU: 5269.13, 0.00314547/step Wall: 5269.13, 0.00314547/step, 2.9314 hours remaining, 230.789062 MB of memory in use. ENERGY: 1645000 3967.3381 20374.2029 14575.4599 232.9159 -204081.4145 2990.1751 0.0000 0.0000 51911.7181 -110029.6045 298.3374 -161941.3226 -109662.9455 297.9482 -40.7035 -9.6081 761600.8405 -1.0351 -1.0470 PRESSURE: 1645200 26.1196 -50.9074 63.3007 -50.9072 284.451 140.731 63.3004 140.729 87.7449 GPRESSURE: 1645200 152.47 -6.06048 -5.56802 -82.8738 233.429 110.563 -29.311 112.266 111.016 PRESSAVG: 1645200 8.20455 -9.68562 17.0382 -9.68562 12.7275 -3.13341 17.0382 -3.13346 22.9305 GPRESSAVG: 1645200 7.88559 -8.78346 17.6674 -9.16444 14.0439 -3.76513 16.9985 -3.52172 21.6532 TIMING: 1645200 CPU: 5269.76, 0.00315126/step Wall: 5269.76, 0.00315126/step, 2.93662 hours remaining, 230.789062 MB of memory in use. ENERGY: 1645200 3952.8101 20498.1850 14503.6724 250.0046 -203936.5090 2865.2746 0.0000 0.0000 51980.3571 -109886.2052 298.7318 -161866.5623 -109527.2850 298.1590 132.7717 165.6384 761402.0653 14.6209 14.5276 PRESSURE: 1645400 -172.936 -224.13 -104.505 -224.131 -22.564 -41.531 -104.505 -41.5306 66.5211 GPRESSURE: 1645400 -133.435 -223.575 -121.907 -173.845 -33.386 -39.048 -103.322 36.4526 112.577 PRESSAVG: 1645400 -62.8361 -25.8897 -16.9129 -25.8897 26.2396 -17.7314 -16.9129 -17.7314 8.11132 GPRESSAVG: 1645400 -63.1236 -26.8783 -17.462 -24.7415 25.4015 -17.6334 -17.3362 -14.8398 8.98922 TIMING: 1645400 CPU: 5270.39, 0.00314717/step Wall: 5270.39, 0.00314717/step, 2.93264 hours remaining, 230.789062 MB of memory in use. ENERGY: 1645400 3986.7754 20479.8417 14566.6661 231.5599 -203774.2062 2872.2113 0.0000 0.0000 51955.4762 -109681.6755 298.5888 -161637.1517 -109318.4183 298.3463 -42.9928 -18.0811 762674.6547 -9.4951 -9.5776 PRESSURE: 1645600 62.9578 210.953 108.178 210.952 37.2281 98.1536 108.177 98.155 15.2776 GPRESSURE: 1645600 115.398 264.094 154.146 236.8 11.9421 82.0209 140.677 30.2804 82.9331 PRESSAVG: 1645600 31.3685 -23.3205 25.826 -23.3205 -7.17137 -14.5701 25.826 -14.5702 4.42821 GPRESSAVG: 1645600 30.8117 -25.3037 25.0815 -22.1852 -6.22763 -13.0417 25.926 -15.8488 4.96882 TIMING: 1645600 CPU: 5271.02, 0.00314278/step Wall: 5271.02, 0.00314278/step, 2.92837 hours remaining, 230.789062 MB of memory in use. ENERGY: 1645600 4029.6930 20578.2081 14476.6748 244.4442 -203993.9114 2871.6043 0.0000 0.0000 52019.0970 -109774.1900 298.9545 -161793.2870 -109423.9238 298.7470 38.4878 70.0910 760709.5034 9.5418 9.8510 PRESSURE: 1645800 -173.214 -111.862 -77.8862 -111.863 -352.047 31.4374 -77.8862 31.4379 358.94 GPRESSURE: 1645800 -155.271 10.5407 -127.26 -52.9103 -266.909 47.0199 19.3342 44.3762 330.369 PRESSAVG: 1645800 41.9512 -13.7206 -21.8384 -13.7206 -46.0127 -35.4334 -21.8384 -35.4335 -7.42587 GPRESSAVG: 1645800 41.5984 -10.9766 -19.8985 -13.7884 -46.0074 -36.6645 -21.8637 -34.6646 -7.27875 TIMING: 1645800 CPU: 5271.65, 0.00314413/step Wall: 5271.65, 0.00314413/step, 2.92946 hours remaining, 230.789062 MB of memory in use. ENERGY: 1645800 3938.8211 20498.0771 14552.9732 242.2347 -203788.4028 2736.3090 0.0000 0.0000 52029.9590 -109790.0288 299.0169 -161819.9878 -109431.3666 298.6478 -55.4404 -30.6038 761830.8823 -3.8292 -3.8959 PRESSURE: 1646000 134.541 156.373 -211.387 156.373 -352.343 190.667 -211.387 190.669 -63.4002 GPRESSURE: 1646000 125.952 138.65 -174.625 -3.44945 -188.83 222.417 -200.757 252.442 -140.601 PRESSAVG: 1646000 39.6412 17.5139 -1.9683 17.5139 -13.5171 -8.00278 -1.96832 -8.00272 -15.9586 GPRESSAVG: 1646000 39.5685 16.6024 -2.61958 15.8982 -12.5569 -6.98817 -0.476432 -10.0727 -16.7576 TIMING: 1646000 CPU: 5272.28, 0.00313638/step Wall: 5272.28, 0.00313638/step, 2.92206 hours remaining, 230.789062 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: 1646000 3968.5121 20417.9380 14519.9601 254.0360 -203611.5077 2622.2583 0.0000 0.0000 52247.8718 -109580.9314 300.2692 -161828.8032 -109212.2324 298.7067 -93.7342 -67.8260 761804.7987 3.3885 3.4180 PRESSURE: 1646200 -184.452 -200.82 -129.018 -200.82 -23.1864 -58.0423 -129.018 -58.0425 -3.26981 GPRESSURE: 1646200 -90.9619 -44.4429 -157.669 17.4137 -34.3401 -125.724 -164.327 -25.0572 2.45373 PRESSAVG: 1646200 31.7006 -48.4534 -43.0785 -48.4535 -53.316 34.3742 -43.0786 34.3741 17.1777 GPRESSAVG: 1646200 31.7133 -49.7617 -44.1023 -49.2255 -54.1878 33.1542 -43.5351 34.5924 17.8859 TIMING: 1646200 CPU: 5272.91, 0.00314806/step Wall: 5272.91, 0.00314806/step, 2.93277 hours remaining, 230.789062 MB of memory in use. ENERGY: 1646200 3984.7837 20430.7312 14419.7887 247.5040 -203490.4912 2638.9902 0.0000 0.0000 52059.5643 -109709.1290 299.1870 -161768.6933 -109336.0369 298.8603 -70.3027 -40.9494 762197.8000 -1.4792 -1.5295 PRESSURE: 1646400 99.0609 186.355 52.2665 186.356 -36.385 -237.125 52.2667 -237.124 -169.873 GPRESSURE: 1646400 193.517 118.37 38.2963 158.065 21.7389 -154.115 80.0909 -207.99 -225.452 PRESSAVG: 1646400 127.192 -47.3526 3.36102 -47.3526 -122.867 20.5231 3.36103 20.5231 -3.34218 GPRESSAVG: 1646400 127.976 -48.6445 4.27619 -45.1346 -123.085 21.1416 3.46051 20.3641 -4.12744 TIMING: 1646400 CPU: 5273.54, 0.00315236/step Wall: 5273.54, 0.00315236/step, 2.9366 hours remaining, 230.789062 MB of memory in use. ENERGY: 1646400 4027.3077 20434.2521 14470.1140 238.8555 -203390.0513 2587.8373 0.0000 0.0000 52084.6473 -109547.0374 299.3312 -161631.6847 -109187.8743 299.0260 -35.7325 -3.3988 761666.5790 0.3277 0.2546 PRESSURE: 1646600 -258.568 -39.758 -10.779 -39.7581 -24.3689 31.4651 -10.7782 31.4652 -328.156 GPRESSURE: 1646600 -151.491 -69.7802 -18.9593 -49.2558 -43.6666 48.8274 -23.7059 127.145 -330.127 PRESSAVG: 1646600 41.2959 -27.5884 -25.2273 -27.5884 -21.0959 25.2644 -25.2273 25.2643 16.5586 GPRESSAVG: 1646600 40.1757 -27.9659 -26.275 -26.577 -21.082 27.2679 -24.9496 25.6662 17.8246 TIMING: 1646600 CPU: 5274.17, 0.00315847/step Wall: 5274.17, 0.00315847/step, 2.94211 hours remaining, 230.789062 MB of memory in use. ENERGY: 1646600 4034.3472 20528.5889 14450.3157 246.9931 -203095.3580 2341.0141 0.0000 0.0000 52143.3969 -109350.7020 299.6688 -161494.0989 -108990.4442 299.1398 -203.6974 -175.0948 763229.5821 12.2529 12.3061 PRESSURE: 1646800 32.4925 -126.149 -158.969 -126.149 -76.3823 -50.522 -158.969 -50.5226 86.4507 GPRESSURE: 1646800 49.0686 -69.0696 -256.78 -33.5397 -30.798 -152.346 -190.883 -34.3079 113.438 PRESSAVG: 1646800 53.8965 -19.0724 5.88396 -19.0724 -92.913 -70.2684 5.88402 -70.2683 -24.5579 GPRESSAVG: 1646800 54.614 -16.6103 5.95412 -21.3526 -93.1567 -72.7863 4.95363 -70.0505 -25.0172 TIMING: 1646800 CPU: 5274.8, 0.00315189/step Wall: 5274.8, 0.00315189/step, 2.93581 hours remaining, 230.789062 MB of memory in use. ENERGY: 1646800 3948.8561 20535.0854 14392.1348 250.8258 -203371.7038 2546.6874 0.0000 0.0000 52355.8406 -109342.2737 300.8897 -161698.1143 -108979.3197 299.6951 14.1870 43.9028 760652.5343 -21.1915 -21.1866 PRESSURE: 1647000 -441.474 3.03252 -160.963 3.03351 -177.345 -82.0733 -160.962 -82.0742 229.438 GPRESSURE: 1647000 -365.643 108.187 -121.992 -2.17631 -143.477 -90.5821 -72.8969 -69.8013 239.17 PRESSAVG: 1647000 33.6311 -15.0957 -57.2153 -15.0956 -62.8067 -17.3796 -57.2153 -17.3796 5.18599 GPRESSAVG: 1647000 33.8818 -16.0843 -56.2438 -14.5343 -63.005 -17.6738 -56.9059 -17.1959 4.74278 TIMING: 1647000 CPU: 5275.43, 0.00315311/step Wall: 5275.43, 0.00315311/step, 2.93677 hours remaining, 230.789062 MB of memory in use. ENERGY: 1647000 4051.0270 20390.2747 14499.0644 257.6793 -203637.4598 2707.3678 0.0000 0.0000 52225.7720 -109506.2747 300.1422 -161732.0467 -109132.4801 299.3030 -129.7934 -89.9831 760357.5245 -7.9965 -8.1268 PRESSURE: 1647200 56.8671 -180.634 -110.23 -180.635 -72.096 117.79 -110.229 117.79 -16.9572 GPRESSURE: 1647200 125.791 -245.842 -80.7879 -173.305 -37.6048 198.47 86.5773 173.725 -37.1668 PRESSAVG: 1647200 34.3738 -1.9207 -39.8731 -1.9207 -34.3549 15.2332 -39.8732 15.2333 -11.6784 GPRESSAVG: 1647200 33.9612 -1.31165 -37.947 -1.37954 -33.7274 15.6503 -38.9276 16.0437 -11.8944 TIMING: 1647200 CPU: 5276.06, 0.00315059/step Wall: 5276.06, 0.00315059/step, 2.93425 hours remaining, 230.789062 MB of memory in use. ENERGY: 1647200 4025.7044 20637.0302 14584.7189 236.3509 -203646.0415 2540.8018 0.0000 0.0000 52033.2258 -109588.2096 299.0357 -161621.4354 -109220.4761 299.5191 -10.7287 17.0065 759374.1452 -3.8865 -3.8869 PRESSURE: 1647400 -253.894 76.5639 61.362 76.5639 -182.46 -42.5725 61.363 -42.5714 -249.807 GPRESSURE: 1647400 -188.708 -43.6307 17.503 30.8932 -132.863 -51.6504 -9.45728 17.1721 -273.061 PRESSAVG: 1647400 11.0778 -12.797 -27.8905 -12.797 -37.932 -70.6809 -27.8905 -70.6808 -0.147457 GPRESSAVG: 1647400 10.3196 -13.6554 -31.2506 -13.4932 -36.7316 -71.3222 -27.7144 -70.7671 -0.54402 TIMING: 1647400 CPU: 5276.69, 0.00314089/step Wall: 5276.69, 0.00314089/step, 2.92504 hours remaining, 230.789062 MB of memory in use. ENERGY: 1647400 3960.3860 20649.3194 14504.3111 254.6351 -203396.2712 2458.6590 0.0000 0.0000 51890.3928 -109678.5679 298.2148 -161568.9607 -109314.7962 299.4378 -228.7204 -198.2109 760954.4974 -9.0005 -8.9853 PRESSURE: 1647600 -361.86 53.9111 109.233 53.9119 -291.406 -75.5674 109.234 -75.5662 177.319 GPRESSURE: 1647600 -235.567 -4.08247 17.8929 41.7943 -323.833 -5.88407 47.9408 -71.6461 162.654 PRESSAVG: 1647600 67.0322 -54.3253 42.4798 -54.3253 -20.2401 -25.1732 42.4797 -25.1731 4.01096 GPRESSAVG: 1647600 68.267 -55.0228 42.8699 -53.886 -22.2828 -23.1805 42.6203 -25.128 4.2433 TIMING: 1647600 CPU: 5277.32, 0.00314876/step Wall: 5277.32, 0.00314876/step, 2.9322 hours remaining, 230.789062 MB of memory in use. ENERGY: 1647600 4039.6136 20412.3195 14534.7001 252.1792 -203257.7987 2233.5209 0.0000 0.0000 52153.6507 -109631.8148 299.7277 -161785.4654 -109269.5459 299.3362 -158.6490 -132.2486 761447.2530 16.9344 16.7425 PRESSURE: 1647800 33.9324 -91.8378 -0.205817 -91.8386 31.1365 -84.5211 -0.205369 -84.5217 477.751 GPRESSURE: 1647800 193.748 -190.384 -79.8655 63.534 0.747896 -87.2147 114.278 -18.8293 434.665 PRESSAVG: 1647800 33.2089 0.359195 8.79572 0.359122 -7.2567 -24.3306 8.79566 -24.3305 -5.89187 GPRESSAVG: 1647800 32.5462 2.84842 8.94637 -2.58581 -7.21401 -25.3301 7.17611 -23.5401 -5.18328 TIMING: 1647800 CPU: 5277.95, 0.00315536/step Wall: 5277.95, 0.00315536/step, 2.93817 hours remaining, 230.789062 MB of memory in use. ENERGY: 1647800 3988.9096 20696.2007 14525.1896 233.2987 -203657.0914 2719.3219 0.0000 0.0000 52165.4377 -109328.7333 299.7955 -161494.1710 -108974.1579 299.3539 180.9401 209.7204 760152.9409 6.6868 6.7163 PRESSURE: 1648000 -70.1318 246.588 43.4815 246.588 112.897 -49.1671 43.4823 -49.1661 185.821 GPRESSURE: 1648000 -132.264 216.928 123.462 246.296 215.081 -57.1837 151.071 -157.85 242.038 PRESSAVG: 1648000 19.4702 -60.5492 -41.1599 -60.5492 -6.53344 32.9857 -41.1599 32.9856 24.5656 GPRESSAVG: 1648000 19.3389 -61.4412 -39.3043 -55.8836 -6.34763 32.3978 -40.6242 31.6275 24.6011 TIMING: 1648000 CPU: 5278.58, 0.00316208/step Wall: 5278.58, 0.00316208/step, 2.94424 hours remaining, 230.789062 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: 1648000 4099.6782 20688.5449 14515.2705 248.3596 -203571.7415 2650.5028 0.0000 0.0000 52001.0737 -109368.3117 298.8509 -161369.3855 -109015.7307 300.3971 76.1954 108.2850 760333.9762 12.5008 12.5308 PRESSURE: 1648200 -115.734 73.6395 -79.0177 73.6404 -343.775 81.5535 -79.0173 81.5553 -36.0647 GPRESSURE: 1648200 -125.022 59.786 -60.8133 42.0473 -262.922 65.5916 -89.3898 33.4827 -11.9308 PRESSAVG: 1648200 -12.6739 53.0932 -8.97166 53.0933 -41.4492 -14.2543 -8.97165 -14.2542 7.44802 GPRESSAVG: 1648200 -12.5827 52.4705 -9.67702 50.1376 -40.9019 -13.0844 -7.56465 -15.8888 7.12574 TIMING: 1648200 CPU: 5279.21, 0.00315717/step Wall: 5279.21, 0.00315717/step, 2.93951 hours remaining, 230.789062 MB of memory in use. ENERGY: 1648200 4014.1834 20506.8658 14610.8780 246.4480 -203149.2690 2422.0423 0.0000 0.0000 51981.0658 -109367.7857 298.7359 -161348.8515 -109010.9012 299.8199 -165.1914 -133.2915 761829.6498 -15.5583 -15.4530 LDB: ============= START OF LOAD BALANCING ============== 5291.63 LDB: ============== END OF LOAD BALANCING =============== 5291.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5291.64 LDB: ============= START OF LOAD BALANCING ============== 5291.95 LDB: Largest compute 7033 load 0.034535 is 17.7% of average load 0.195418 LDB: Average compute 0.004394 is 2.2% of average load 0.195418 LDB: TIME 5291.96 LOAD: AVG 0.195418 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.355 MB LDB: TIME 5291.96 LOAD: AVG 0.195418 MAX 0.213384 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: TIME 5291.96 LOAD: AVG 0.195418 MAX 0.213384 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: ============== END OF LOAD BALANCING =============== 5291.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5291.96 PRESSURE: 1648400 9.39893 16.4099 13.693 16.41 209.042 274.569 13.6938 274.569 242.395 GPRESSURE: 1648400 92.0353 -0.262775 -77.4417 -37.056 219.34 179.135 55.5044 227.818 238.647 PRESSAVG: 1648400 36.9351 -39.4158 0.258341 -39.4159 4.16391 -13.7443 0.258362 -13.7442 4.44944 GPRESSAVG: 1648400 35.6517 -37.7923 -1.63959 -40.6184 4.23913 -14.1618 -0.054484 -13.6355 5.38468 TIMING: 1648400 CPU: 5279.86, 0.00322957/step Wall: 5279.86, 0.00322957/step, 3.00673 hours remaining, 232.523438 MB of memory in use. ENERGY: 1648400 4045.1568 20571.2622 14540.5083 246.4487 -203745.5974 2887.5079 0.0000 0.0000 52083.0908 -109371.6227 299.3222 -161454.7135 -109015.9420 299.7763 153.6120 183.3407 762013.5312 15.1828 15.0919 PRESSURE: 1648600 -380.131 -147.697 327.184 -147.696 -137.069 -70.5963 327.184 -70.5973 -56.1758 GPRESSURE: 1648600 -342.264 -171.788 292.044 -166.798 -93.0154 -84.6803 317.7 53.5303 -54.0309 PRESSAVG: 1648600 37.9162 -43.6735 -39.7235 -43.6735 -58.7529 0.19098 -39.7235 0.190983 9.7043 GPRESSAVG: 1648600 38.9467 -46.9223 -39.5838 -43.0382 -59.7041 0.970342 -39.6264 0.422549 9.52154 TIMING: 1648600 CPU: 5280.49, 0.00316148/step Wall: 5280.49, 0.00316148/step, 2.94316 hours remaining, 232.593750 MB of memory in use. ENERGY: 1648600 4028.3554 20641.6705 14528.0674 241.8245 -203351.2974 2479.9225 0.0000 0.0000 52054.0656 -109377.3914 299.1554 -161431.4570 -109014.8742 299.3240 -191.1254 -163.1036 762526.6011 -3.7108 -3.7453 PRESSURE: 1648800 -153.462 -205.275 43.3814 -205.275 -161.718 -284.615 43.3819 -284.615 330.614 GPRESSURE: 1648800 -67.5208 -230.081 17.6652 -29.9946 -156.851 -330.802 -28.2776 -339.02 321.085 PRESSAVG: 1648800 54.8964 -93.1656 -0.462763 -93.1656 -45.9846 -58.2152 -0.462821 -58.2152 -10.9707 GPRESSAVG: 1648800 55.1815 -91.5242 0.30195 -90.9355 -46.4309 -60.571 -0.71404 -55.6932 -11.0182 TIMING: 1648800 CPU: 5281.12, 0.00316615/step Wall: 5281.12, 0.00316615/step, 2.94733 hours remaining, 232.593750 MB of memory in use. ENERGY: 1648800 4069.7432 20506.8980 14522.4700 239.3138 -203413.6760 2425.6591 0.0000 0.0000 52151.5817 -109498.0102 299.7159 -161649.5919 -109138.4137 299.6644 5.1450 32.2378 761958.7589 -0.6863 -0.7559 PRESSURE: 1649000 245.112 -140.955 74.0372 -140.955 226.234 91.9086 74.037 91.9083 122.273 GPRESSURE: 1649000 283.634 -66.0205 -7.26588 -43.9399 261.713 68.2297 57.2541 -39.6772 138.13 PRESSAVG: 1649000 20.4631 -28.4554 10.3662 -28.4553 -11.4118 23.9862 10.3661 23.9862 14.4497 GPRESSAVG: 1649000 20.4516 -28.6115 11.0464 -30.1417 -9.96591 24.4524 9.87841 23.0013 12.8044 TIMING: 1649000 CPU: 5281.76, 0.00316798/step Wall: 5281.76, 0.00316798/step, 2.94886 hours remaining, 232.789062 MB of memory in use. ENERGY: 1649000 4088.6019 20643.7899 14554.8112 247.2048 -203799.3309 2874.6384 0.0000 0.0000 52055.0774 -109335.2073 299.1612 -161390.2848 -108982.8623 299.6882 197.8732 227.8253 760818.6663 7.8337 7.7633 PRESSURE: 1649200 40.0757 -53.2095 -29.5749 -53.2097 -193.083 36.9842 -29.5755 36.9836 -246.644 GPRESSURE: 1649200 26.6186 -83.0988 -17.9223 -33.2202 -146.878 131.755 -41.2875 -7.24751 -190.049 PRESSAVG: 1649200 -14.6738 13.9768 5.10877 13.9768 -14.2299 -24.8247 5.1088 -24.8247 10.6697 GPRESSAVG: 1649200 -16.1594 14.7028 5.62853 12.5367 -14.3478 -23.1104 4.36157 -26.8137 12.3528 TIMING: 1649200 CPU: 5282.39, 0.00317409/step Wall: 5282.39, 0.00317409/step, 2.95437 hours remaining, 232.789062 MB of memory in use. ENERGY: 1649200 4000.8198 20511.1175 14548.6666 260.4082 -203499.4915 2751.1304 0.0000 0.0000 52266.9891 -109160.3599 300.3791 -161427.3490 -108793.9252 299.8327 -133.2170 -103.4359 761517.2802 -6.0780 -6.0514 PRESSURE: 1649400 173.424 -30.4307 -77.3763 -30.4305 -264.33 -1.87339 -77.3769 -1.87252 -409.398 GPRESSURE: 1649400 178.872 138.938 -31.2245 -25.0262 -207.307 14.2496 -198.655 115.737 -389.214 PRESSAVG: 1649400 13.163 1.36658 -8.22107 1.36655 -39.9855 20.3282 -8.22108 20.3282 12.2732 GPRESSAVG: 1649400 13.9922 -0.399114 -10.3539 4.81655 -40.2537 18.5677 -7.18233 21.001 11.6487 TIMING: 1649400 CPU: 5283.02, 0.0031646/step Wall: 5283.02, 0.0031646/step, 2.94536 hours remaining, 232.789062 MB of memory in use. ENERGY: 1649400 4113.5817 20638.3640 14552.6253 265.8058 -203740.9051 2554.1455 0.0000 0.0000 52017.7793 -109598.6035 298.9469 -161616.3828 -109242.1233 299.9141 -166.7678 -139.2163 760377.8988 -4.8498 -4.8709 PRESSURE: 1649600 -440.266 147.161 261.88 147.161 -238.198 -189.229 261.88 -189.229 -218.84 GPRESSURE: 1649600 -446.585 83.3471 349.398 157.385 -255.863 -188.478 131.577 -106.847 -104.647 PRESSAVG: 1649600 50.487 -12.9577 -14.3001 -12.9577 -28.9327 -15.3646 -14.3 -15.3647 7.67012 GPRESSAVG: 1649600 51.127 -13.693 -12.8292 -12.34 -29.9694 -14.3617 -14.7033 -15.4977 7.89582 TIMING: 1649600 CPU: 5283.66, 0.00315982/step Wall: 5283.66, 0.00315982/step, 2.94074 hours remaining, 232.789062 MB of memory in use. ENERGY: 1649600 3981.5673 20564.0901 14543.5631 240.8853 -203351.6787 2279.3822 0.0000 0.0000 52081.8877 -109660.3030 299.3153 -161742.1907 -109294.3167 299.1371 -299.1014 -269.0314 760366.0158 9.7415 9.6845 PRESSURE: 1649800 111.156 -4.62532 -106.602 -4.62526 42.112 -161.39 -106.603 -161.388 -287.362 GPRESSURE: 1649800 153.436 -107.577 -89.1945 65.6468 38.698 -167.915 -99.0365 -125.558 -243.588 PRESSAVG: 1649800 59.8948 1.11017 -20.0137 1.1102 -7.30788 -28.1503 -20.0137 -28.1503 1.72352 GPRESSAVG: 1649800 60.0648 3.60661 -19.4156 -2.00052 -8.05147 -26.9334 -21.1105 -27.1655 1.76156 TIMING: 1649800 CPU: 5284.29, 0.00316395/step Wall: 5284.29, 0.00316395/step, 2.94441 hours remaining, 232.789062 MB of memory in use. ENERGY: 1649800 3987.1667 20706.4251 14543.3824 248.0978 -203881.8287 2786.9944 0.0000 0.0000 51837.2322 -109772.5301 297.9093 -161609.7623 -109428.6872 298.8054 -44.6979 -17.1513 760358.7188 18.1035 17.9250 PRESSURE: 1650000 -336.725 43.8652 -23.6534 43.8657 -435.295 233.023 -23.6534 233.023 82.1109 GPRESSURE: 1650000 -276.105 141.569 82.4924 159.893 -380.817 216.358 -104.877 135.454 41.9631 PRESSAVG: 1650000 102.173 -18.5345 -14.2494 -18.5345 -98.904 -19.6718 -14.2494 -19.6718 -3.71911 GPRESSAVG: 1650000 100.449 -19.2901 -15.1578 -16.6724 -96.6445 -21.3322 -11.5548 -20.5913 -4.68232 TIMING: 1650000 CPU: 5284.92, 0.00316157/step Wall: 5284.92, 0.00316157/step, 2.94202 hours remaining, 232.789062 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: 1650000 3995.0219 20652.6027 14558.9501 243.4424 -203291.6067 2239.8510 0.0000 0.0000 51903.9587 -109697.7799 298.2928 -161601.7386 -109347.7991 298.4899 -229.9696 -204.9864 762454.6566 -0.1499 -0.2928 PRESSURE: 1650200 73.1819 -88.4588 195.134 -88.4573 22.3203 5.52905 195.134 5.52879 327.497 GPRESSURE: 1650200 227.822 -45.5071 228.51 -52.0993 -40.8158 73.1318 124.837 44.7215 328.81 PRESSAVG: 1650200 25.8922 -4.04863 9.80044 -4.04864 -7.60036 82.519 9.80045 82.5191 -20.2208 GPRESSAVG: 1650200 26.8731 -3.16277 8.68281 -5.12635 -8.73316 82.1568 7.70319 83.9998 -19.5307 TIMING: 1650200 CPU: 5285.55, 0.00316496/step Wall: 5285.55, 0.00316496/step, 2.94499 hours remaining, 232.789062 MB of memory in use. ENERGY: 1650200 3995.6403 20546.2679 14538.1562 249.8244 -203647.0519 2806.2994 0.0000 0.0000 52027.8015 -109483.0623 299.0045 -161510.8638 -109116.8910 299.0067 140.9997 171.9387 761543.1135 -0.6430 -0.4636 PRESSURE: 1650400 83.3 5.29572 -8.96156 5.29602 -188.812 -79.279 -8.96181 -79.2791 23.9891 GPRESSURE: 1650400 20.0758 61.4666 -4.74795 -27.2459 -102.523 -103.632 -27.8718 67.6624 67.8838 PRESSAVG: 1650400 26.6392 42.4232 26.2852 42.4232 -55.7613 -2.10302 26.2851 -2.10299 -16.8338 GPRESSAVG: 1650400 26.2839 41.5559 27.6485 40.3503 -56.539 -1.56763 27.3023 -1.9676 -16.0924 TIMING: 1650400 CPU: 5286.19, 0.00316754/step Wall: 5286.19, 0.00316754/step, 2.94722 hours remaining, 232.789062 MB of memory in use. ENERGY: 1650400 3963.7212 20602.1300 14573.5922 261.2864 -203221.2464 2341.8771 0.0000 0.0000 52000.7534 -109477.8862 298.8490 -161478.6396 -109119.2912 299.4383 -27.1743 -4.8545 759579.7891 -15.3186 -15.4492 PRESSURE: 1650600 33.1318 -56.0681 89.0304 -56.068 -165.237 -33.7473 89.0294 -33.7461 99.6147 GPRESSURE: 1650600 -19.1314 -28.0352 94.2252 -4.12738 -87.8172 -69.2312 221.646 -4.04668 150.834 PRESSAVG: 1650600 56.4459 11.6648 1.74046 11.6649 -69.4339 12.2735 1.74053 12.2735 25.1063 GPRESSAVG: 1650600 57.8239 12.0982 0.653312 13.1086 -70.1799 12.7099 3.3699 10.3789 23.7076 TIMING: 1650600 CPU: 5286.82, 0.00317118/step Wall: 5286.82, 0.00317118/step, 2.95043 hours remaining, 232.789062 MB of memory in use. ENERGY: 1650600 3942.8596 20647.5706 14496.7303 246.2204 -203268.2858 2300.3944 0.0000 0.0000 52242.3207 -109392.1898 300.2373 -161634.5105 -109029.8245 299.9352 -10.8301 14.6286 760501.8585 4.0394 3.7839 PRESSURE: 1650800 -219.286 144.446 -121.486 144.447 -141.179 175.818 -121.485 175.819 -215.835 GPRESSURE: 1650800 -78.2038 49.212 -75.9627 191.983 -216.519 103.805 -71.5391 49.9332 -176.559 PRESSAVG: 1650800 53.1461 5.56344 25.4289 5.56346 -29.8455 -18.3606 25.429 -18.3606 0.707816 GPRESSAVG: 1650800 53.2366 3.71369 25.233 6.73154 -28.8881 -17.6383 23.0247 -18.8184 -0.334825 TIMING: 1650800 CPU: 5287.46, 0.00319064/step Wall: 5287.46, 0.00319064/step, 2.96836 hours remaining, 232.789062 MB of memory in use. ENERGY: 1650800 4026.2490 20748.6480 14567.7537 240.9133 -203680.5716 2458.4972 0.0000 0.0000 52152.2435 -109486.2669 299.7197 -161638.5104 -109140.4839 299.5174 -192.1000 -157.0939 760096.1716 8.0028 8.0046 PRESSURE: 1651000 64.7193 -57.5096 3.44629 -57.5092 -312.679 -90.987 3.44627 -90.9867 68.5528 GPRESSURE: 1651000 69.6922 -0.952804 -73.2652 36.022 -179.001 -55.2994 -33.1592 -31.9091 23.2026 PRESSAVG: 1651000 39.9192 19.3118 -0.548526 19.3117 -92.7188 -45.1017 -0.548519 -45.1017 16.3816 GPRESSAVG: 1651000 38.7188 19.0173 0.388943 17.1822 -91.2522 -45.1617 -1.74027 -45.6276 17.0732 TIMING: 1651000 CPU: 5288.09, 0.0031634/step Wall: 5288.09, 0.0031634/step, 2.94284 hours remaining, 232.789062 MB of memory in use. ENERGY: 1651000 3934.5328 20690.2361 14470.5711 233.1123 -202908.8578 2292.1736 0.0000 0.0000 51985.9670 -109302.2648 298.7641 -161288.2319 -108941.6175 299.4693 -59.8024 -28.7021 762872.6528 -12.1393 -11.8200 PRESSURE: 1651200 -53.1383 41.9778 -63.2553 41.9778 -382.425 90.8898 -63.2553 90.8904 -172.95 GPRESSURE: 1651200 -3.49968 -25.7586 -69.4606 19.0969 -287.645 124.736 8.68 105.776 -216.131 PRESSAVG: 1651200 93.9955 42.4029 -46.1349 42.4029 -78.624 -31.5511 -46.1349 -31.5512 -33.6541 GPRESSAVG: 1651200 93.7608 41.9288 -44.9207 41.9609 -78.9419 -32.2821 -45.5059 -31.3664 -32.7883 TIMING: 1651200 CPU: 5288.72, 0.00315516/step Wall: 5288.72, 0.00315516/step, 2.935 hours remaining, 232.789062 MB of memory in use. ENERGY: 1651200 4017.7896 20532.4517 14519.1793 262.7613 -203188.7033 2484.5951 0.0000 0.0000 52064.9246 -109307.0018 299.2178 -161371.9264 -108953.3549 299.6128 -202.8378 -169.0918 761875.2493 -6.0942 -5.9898 PRESSURE: 1651400 125.551 70.0773 71.5173 70.0772 89.7631 -114.096 71.5171 -114.097 421.235 GPRESSURE: 1651400 150.357 21.1518 41.3366 -39.4514 129.776 -147.952 112.892 -207.147 446.256 PRESSAVG: 1651400 27.9136 19.1494 15.0925 19.1494 -39.8155 -17.8744 15.0925 -17.8745 1.83576 GPRESSAVG: 1651400 29.1218 18.3299 13.633 21.555 -41.229 -16.763 14.9442 -18.6352 2.41294 TIMING: 1651400 CPU: 5289.36, 0.00317727/step Wall: 5289.36, 0.00317727/step, 2.95539 hours remaining, 232.789062 MB of memory in use. ENERGY: 1651400 3894.4007 20566.5299 14573.3121 246.2963 -202960.2914 2477.1672 0.0000 0.0000 51765.2123 -109437.3729 297.4954 -161202.5853 -109080.7992 299.0757 212.1832 242.1297 761366.3452 -3.3554 -3.2314 PRESSURE: 1651600 121.043 -51.5774 -0.646818 -51.5783 -140.363 -51.7669 -0.646885 -51.7672 16.6552 GPRESSURE: 1651600 185.323 -58.7877 -4.09936 -69.3297 -133.76 -46.9678 -11.7311 -7.60526 47.4549 PRESSAVG: 1651600 75.3611 -8.76072 7.19367 -8.7607 -103.478 -25.2784 7.19369 -25.2784 2.28502 GPRESSAVG: 1651600 75.2671 -6.41988 6.93358 -12.4816 -103.021 -26.4852 6.87926 -23.0618 2.2296 TIMING: 1651600 CPU: 5289.99, 0.00317093/step Wall: 5289.99, 0.00317093/step, 2.94932 hours remaining, 232.789062 MB of memory in use. ENERGY: 1651600 3938.8034 20316.7703 14556.2007 253.7880 -203268.2203 2483.9760 0.0000 0.0000 52357.0916 -109361.5903 300.8969 -161718.6818 -108983.8435 298.9075 -0.8882 33.0061 761537.1875 -8.6106 -8.5081 PRESSURE: 1651800 -66.7328 -31.529 -114.487 -31.5291 -116.088 -27.8447 -114.487 -27.8446 -135.898 GPRESSURE: 1651800 -86.8937 -30.3469 -45.328 -87.9097 -140.186 14.4589 -94.86 -50.4493 2.87583 PRESSAVG: 1651800 45.1378 -32.7598 -24.2527 -32.7598 -51.5336 -17.9145 -24.2527 -17.9145 3.26743 GPRESSAVG: 1651800 45.337 -33.3735 -23.3855 -31.4097 -52.307 -18.2347 -24.6557 -19.5435 3.0112 TIMING: 1651800 CPU: 5290.63, 0.00317903/step Wall: 5290.63, 0.00317903/step, 2.95668 hours remaining, 232.789062 MB of memory in use. ENERGY: 1651800 4061.0597 20482.6671 14513.6068 241.1199 -203642.2057 2676.5043 0.0000 0.0000 52120.6283 -109546.6196 299.5380 -161667.2478 -109190.2691 299.0497 -106.2395 -74.7347 760789.2257 -1.0428 -1.3196 PRESSURE: 1652000 152.848 -99.7518 197.812 -99.7516 86.3634 177.282 197.812 177.282 -58.5104 GPRESSURE: 1652000 227.947 8.53542 204.011 -41.3462 107.545 125.244 70.9796 109.299 -54.4121 PRESSAVG: 1652000 7.33365 21.3572 -8.03993 21.3572 -7.12768 -3.37917 -8.03994 -3.37923 -4.20663 GPRESSAVG: 1652000 6.8956 24.0022 -8.31705 21.9552 -7.17752 -4.6098 -7.20447 -1.83761 -4.23291 TIMING: 1652000 CPU: 5291.26, 0.00316654/step Wall: 5291.26, 0.00316654/step, 2.94489 hours remaining, 232.789062 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: 1652000 3996.8376 20575.7683 14536.6686 244.7745 -203014.0651 2329.5878 0.0000 0.0000 51796.6692 -109533.7590 297.6762 -161330.4283 -109175.6133 299.3974 60.2336 93.6931 760406.0730 -1.3336 -1.5049 PRESSURE: 1652200 -348.074 10.7694 92.1775 10.7697 -272.184 34.358 92.1777 34.3567 -212.135 GPRESSURE: 1652200 -258.957 5.56727 194.029 -54.2939 -305.768 43.1772 -26.8017 9.10422 -181.971 PRESSAVG: 1652200 0.270866 12.1195 -36.488 12.1195 24.0435 28.0019 -36.488 28.002 -29.511 GPRESSAVG: 1652200 -0.723697 11.6788 -35.9345 12.1471 23.6735 27.2171 -36.063 28.2035 -28.5385 TIMING: 1652200 CPU: 5291.9, 0.00316906/step Wall: 5291.9, 0.00316906/step, 2.94705 hours remaining, 232.789062 MB of memory in use. ENERGY: 1652200 4010.5776 20585.8409 14538.9305 251.6540 -203246.4868 2380.3597 0.0000 0.0000 51930.2083 -109548.9159 298.4436 -161479.1242 -109202.5996 299.4680 -277.4641 -248.8984 761810.6052 -1.7322 -1.8629 LDB: ============= START OF LOAD BALANCING ============== 5304.32 LDB: ============== END OF LOAD BALANCING =============== 5304.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5304.32 LDB: ============= START OF LOAD BALANCING ============== 5304.64 LDB: Largest compute 7033 load 0.037253 is 19.1% of average load 0.195415 LDB: Average compute 0.004398 is 2.3% of average load 0.195415 LDB: TIME 5304.65 LOAD: AVG 0.195415 MAX 0.215566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.395 MB LDB: TIME 5304.65 LOAD: AVG 0.195415 MAX 0.215566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.434 MB LDB: TIME 5304.65 LOAD: AVG 0.195415 MAX 0.215566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.434 MB LDB: ============== END OF LOAD BALANCING =============== 5304.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5304.65 PRESSURE: 1652400 -528.76 47.8248 -166.102 47.8254 -582.597 12.1334 -166.102 12.1335 129.404 GPRESSURE: 1652400 -422.392 99.0199 -214.914 -6.16805 -442.784 -66.8633 -93.5233 37.2922 -16.561 PRESSAVG: 1652400 -41.5988 14.1075 -51.1274 14.1076 -19.9967 -24.9597 -51.1275 -24.9597 19.4744 GPRESSAVG: 1652400 -40.517 12.1621 -51.9004 15.5232 -19.2048 -23.7361 -49.8832 -25.1416 18.4196 TIMING: 1652400 CPU: 5292.55, 0.0032494/step Wall: 5292.55, 0.0032494/step, 3.02158 hours remaining, 232.082031 MB of memory in use. ENERGY: 1652400 3979.7365 20491.1743 14562.6845 235.3238 -203324.4726 2299.9470 0.0000 0.0000 52177.9808 -109577.6257 299.8676 -161755.6065 -109209.8694 299.3361 -327.3177 -293.9122 761708.7627 -14.0404 -13.7674 PRESSURE: 1652600 -63.9195 87.0587 125.756 87.0582 171.194 -14.4671 125.757 -14.4683 79.4289 GPRESSURE: 1652600 0.755741 51.7479 134.977 60.8185 237.603 -57.8788 86.2062 88.1214 44.5507 PRESSAVG: 1652600 33.4162 -15.1699 -3.79894 -15.1698 -66.1288 15.6986 -3.79903 15.6985 -2.16795 GPRESSAVG: 1652600 33.2416 -14.4694 -4.24799 -16.8366 -66.2767 15.8619 -3.24977 16.9104 -1.64714 TIMING: 1652600 CPU: 5293.18, 0.00317452/step Wall: 5293.18, 0.00317452/step, 2.95178 hours remaining, 232.281250 MB of memory in use. ENERGY: 1652600 3970.4479 20343.2024 14434.1985 269.0629 -203516.0090 2681.2749 0.0000 0.0000 51960.0009 -109857.8216 298.6148 -161817.8224 -109488.8361 298.7345 62.2344 94.3031 760907.7926 -11.6269 -11.5607 PRESSURE: 1652800 241.226 23.1595 -119.237 23.1605 105.655 -105.491 -119.237 -105.492 164.64 GPRESSURE: 1652800 183.308 43.3529 -96.9143 64.3973 229.441 -126.747 -212.618 -34.7583 188.679 PRESSAVG: 1652800 4.18442 14.9002 -17.0972 14.9002 -42.8862 30.3642 -17.0972 30.3643 -9.02737 GPRESSAVG: 1652800 3.7386 14.3212 -17.7523 16.974 -42.9737 30.5211 -18.3138 28.7389 -8.25764 TIMING: 1652800 CPU: 5293.82, 0.00318093/step Wall: 5293.82, 0.00318093/step, 2.95756 hours remaining, 232.281250 MB of memory in use. ENERGY: 1652800 3994.5236 20512.3177 14508.2693 264.7594 -203334.8217 2598.4342 0.0000 0.0000 51705.7845 -109750.7331 297.1539 -161456.5176 -109389.9465 298.2981 170.5069 200.4760 760533.4138 -15.9097 -15.8309 PRESSURE: 1653000 -354.788 59.3878 -267.599 59.3882 -259.7 170.752 -267.598 170.751 -226.406 GPRESSURE: 1653000 -227.144 7.11434 -209.803 44.1381 -322.952 189.405 -212.446 54.503 -225.66 PRESSAVG: 1653000 15.6553 -24.3202 -42.9758 -24.3202 -12.1256 -25.2957 -42.9757 -25.2957 -13.4395 GPRESSAVG: 1653000 16.5174 -24.0984 -42.8501 -24.7972 -12.0422 -23.9926 -43.5777 -24.3819 -14.1799 TIMING: 1653000 CPU: 5294.45, 0.00317783/step Wall: 5294.45, 0.00317783/step, 2.9545 hours remaining, 232.281250 MB of memory in use. ENERGY: 1653000 3932.9786 20546.7487 14431.9383 225.5144 -203447.2673 2398.0793 0.0000 0.0000 52129.0147 -109782.9933 299.5862 -161912.0080 -109425.0499 298.8214 -280.2980 -258.5853 760102.1334 -3.3033 -3.2349 PRESSURE: 1653200 86.0351 -21.7003 74.3242 -21.7 411.742 307.442 74.324 307.442 -267.847 GPRESSURE: 1653200 81.4134 -12.9319 86.6129 23.6053 430.004 323.712 27.8108 240.535 -195.843 PRESSAVG: 1653200 69.5016 -15.3768 -45.0835 -15.3768 -52.2306 6.60444 -45.0835 6.6044 -14.8078 GPRESSAVG: 1653200 68.9138 -16.1369 -44.1019 -14.9154 -52.4883 4.1897 -43.7121 3.82093 -13.0964 TIMING: 1653200 CPU: 5295.09, 0.00317977/step Wall: 5295.09, 0.00317977/step, 2.95612 hours remaining, 232.281250 MB of memory in use. ENERGY: 1653200 3988.3977 20552.6259 14441.5410 256.0078 -203626.8154 2706.0525 0.0000 0.0000 51919.7281 -109762.4625 298.3834 -161682.1905 -109396.4451 298.4013 76.6434 105.1913 758774.1153 0.8211 1.1097 PRESSURE: 1653400 -87.5299 161.559 -207.775 161.559 202.863 -44.832 -207.774 -44.832 157.308 GPRESSURE: 1653400 -83.5857 209.302 -184.133 115.704 246.068 -35.1685 -210.986 72.2494 192.64 PRESSAVG: 1653400 -19.5284 23.1428 50.5052 23.1428 14.2294 41.782 50.5053 41.782 5.88889 GPRESSAVG: 1653400 -19.6776 24.499 49.641 22.461 15.2449 41.4183 48.9204 44.5581 4.8724 TIMING: 1653400 CPU: 5295.73, 0.00318669/step Wall: 5295.73, 0.00318669/step, 2.96238 hours remaining, 232.281250 MB of memory in use. ENERGY: 1653400 3988.3673 20435.8088 14442.7703 233.7853 -203580.2523 2640.4177 0.0000 0.0000 52216.6878 -109622.4151 300.0900 -161839.1029 -109251.7875 298.9153 90.8802 118.3740 758840.0918 0.1966 0.1466 PRESSURE: 1653600 -133.754 -63.3385 -168.564 -63.3383 24.8215 78.9692 -168.564 78.9695 -310.824 GPRESSURE: 1653600 -103.616 -84.1441 -166.928 -11.2809 20.5754 6.40416 -193.938 143.129 -259.338 PRESSAVG: 1653600 -17.3967 -69.6742 -19.871 -69.6742 29.015 55.209 -19.8711 55.209 2.61069 GPRESSAVG: 1653600 -17.8488 -71.1602 -20.1379 -67.4928 28.612 54.1346 -20.9653 57.1681 3.85216 TIMING: 1653600 CPU: 5296.36, 0.00318358/step Wall: 5296.36, 0.00318358/step, 2.95931 hours remaining, 232.281250 MB of memory in use. ENERGY: 1653600 3918.6675 20556.1589 14500.5671 244.5176 -203444.5497 2326.6228 0.0000 0.0000 52229.6866 -109668.3293 300.1647 -161898.0159 -109303.1479 298.9771 -139.9189 -114.1262 760369.4014 4.7430 4.8718 PRESSURE: 1653800 60.6364 -20.057 -67.8684 -20.057 22.2009 214.18 -67.8688 214.18 -268.56 GPRESSURE: 1653800 107.941 -57.2084 -18.7143 -74.0981 48.4166 183.698 -90.5104 140.978 -267.143 PRESSAVG: 1653800 12.3333 -69.9003 -10.3658 -69.9004 -16.1973 12.4922 -10.3657 12.4922 4.6713 GPRESSAVG: 1653800 13.1771 -69.4624 -9.70015 -70.2879 -17.119 15.8863 -8.54203 9.37281 4.4945 TIMING: 1653800 CPU: 5297, 0.00318237/step Wall: 5297, 0.00318237/step, 2.95801 hours remaining, 232.281250 MB of memory in use. ENERGY: 1653800 3920.2029 20528.7256 14482.8850 249.1375 -203139.5462 2247.5970 0.0000 0.0000 52078.5216 -109632.4765 299.2960 -161710.9982 -109258.5409 299.1836 -61.9077 -36.9287 760536.2262 0.2691 0.1842 PRESSURE: 1654000 296.108 -69.1167 -76.1236 -69.1178 210.97 -11.3396 -76.1244 -11.3389 509.519 GPRESSURE: 1654000 354.295 -97.8183 -82.7552 -53.9354 238.147 -27.8293 45.2458 -10.1283 507.823 PRESSAVG: 1654000 9.62571 -14.34 0.0819908 -14.34 2.53992 8.68524 0.0820461 8.68528 -0.168353 GPRESSAVG: 1654000 10.5167 -13.7336 0.959238 -17.02 3.06505 7.50377 0.0252529 8.70945 -1.44881 TIMING: 1654000 CPU: 5297.63, 0.00314269/step Wall: 5297.63, 0.00314269/step, 2.92095 hours remaining, 232.281250 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: 1654000 4007.5267 20736.6717 14462.7403 240.9318 -203660.4428 2586.2922 0.0000 0.0000 52119.4940 -109506.7862 299.5314 -161626.2802 -109140.6724 299.4692 338.8655 366.7551 759171.6346 3.9991 4.0443 PRESSURE: 1654200 -100.926 112.585 -145.755 112.585 -659.322 57.0397 -145.755 57.0395 -62.2822 GPRESSURE: 1654200 -62.4041 85.7355 -152.452 49.884 -618.978 108.647 21.6955 65.2351 -75.7008 PRESSAVG: 1654200 31.5726 -39.5056 21.9724 -39.5057 -11.8989 -3.41816 21.9724 -3.41815 -0.823839 GPRESSAVG: 1654200 32.0192 -39.5229 21.4478 -38.0031 -11.7341 -3.90717 23.0163 -2.24896 -1.10604 TIMING: 1654200 CPU: 5298.26, 0.00315725/step Wall: 5298.26, 0.00315725/step, 2.93431 hours remaining, 232.281250 MB of memory in use. ENERGY: 1654200 3950.6299 20589.4223 14535.6110 243.5345 -203303.1280 2353.8066 0.0000 0.0000 52008.8952 -109621.2285 298.8958 -161630.1236 -109253.0097 299.5273 -274.1765 -252.3611 762593.3025 6.2833 6.3930 PRESSURE: 1654400 188.2 -176.03 -169.549 -176.03 110.229 -309.27 -169.549 -309.271 -360.297 GPRESSURE: 1654400 235.016 -4.64586 -132.25 -127.22 54.4247 -249.953 -116.866 -140.516 -270.432 PRESSAVG: 1654400 -1.88307 -52.8306 -3.62371 -52.8306 12.2712 -16.9897 -3.62364 -16.9897 3.93324 GPRESSAVG: 1654400 -1.4719 -52.3162 -4.41698 -54.046 12.1241 -17.8531 -4.6179 -17.1935 3.95109 TIMING: 1654400 CPU: 5298.89, 0.00314002/step Wall: 5298.89, 0.00314002/step, 2.91812 hours remaining, 232.281250 MB of memory in use. ENERGY: 1654400 4024.3716 20764.6548 14605.5586 263.9343 -203786.5370 2840.8675 0.0000 0.0000 52059.7998 -109227.3503 299.1884 -161287.1501 -108873.4581 299.6372 -20.6227 6.3362 760377.7905 4.7738 4.8677 PRESSURE: 1654600 -333.598 -29.8547 17.5701 -29.8543 9.37997 -110.54 17.5701 -110.541 -303.96 GPRESSURE: 1654600 -266.571 -4.34492 -53.9173 25.6264 2.7188 -154.762 116.325 -79.0223 -274.161 PRESSAVG: 1654600 41.9306 -24.6723 -69.6996 -24.6723 -32.3053 -55.5042 -69.6996 -55.5042 3.18466 GPRESSAVG: 1654600 41.9094 -23.9206 -71.1957 -25.1255 -32.9061 -54.5004 -69.3941 -55.7282 3.70211 TIMING: 1654600 CPU: 5299.52, 0.00316475/step Wall: 5299.52, 0.00316475/step, 2.94093 hours remaining, 232.281250 MB of memory in use. ENERGY: 1654600 4002.8111 20608.3404 14595.1336 245.5042 -203247.9789 2446.9566 0.0000 0.0000 52057.3445 -109291.8885 299.1743 -161349.2330 -108928.0993 299.7671 -209.3924 -179.3379 760753.4204 4.2700 4.2351 PRESSURE: 1654800 226.662 -120.391 -97.341 -120.39 170.598 -80.8445 -97.3409 -80.8444 324.501 GPRESSURE: 1654800 254.352 -144.725 -65.7938 -197.53 197.754 -73.0196 -159.044 -191.738 361.481 PRESSAVG: 1654800 -33.7879 -66.5812 -16.3543 -66.5812 14.3824 36.334 -16.3543 36.3341 8.03994 GPRESSAVG: 1654800 -35.7882 -67.5207 -13.6249 -67.5274 13.9634 36.7245 -17.2297 34.1381 9.99931 TIMING: 1654800 CPU: 5300.15, 0.00315205/step Wall: 5300.15, 0.00315205/step, 2.92895 hours remaining, 232.281250 MB of memory in use. ENERGY: 1654800 3996.8255 20474.1916 14512.9810 261.7388 -203330.9815 2817.9847 0.0000 0.0000 52068.6209 -109198.6391 299.2391 -161267.2600 -108833.6344 299.7363 240.5867 271.1957 762244.3955 -3.7885 -3.9418 PRESSURE: 1655000 138.952 -55.8742 157.824 -55.8748 -7.71306 56.594 157.823 56.594 151.482 GPRESSURE: 1655000 125.951 -142.697 166.962 15.0915 37.634 45.3006 74.8406 80.8286 206.955 PRESSAVG: 1655000 3.11998 -47.543 40.1195 -47.543 -2.74606 10.7202 40.1195 10.7202 16.4815 GPRESSAVG: 1655000 4.572 -48.7928 39.3616 -46.1719 -3.58818 10.5968 39.4242 12.6511 15.0242 TIMING: 1655000 CPU: 5300.78, 0.00315174/step Wall: 5300.78, 0.00315174/step, 2.92849 hours remaining, 232.281250 MB of memory in use. ENERGY: 1655000 4017.9881 20585.5454 14501.7830 249.4926 -203426.0295 2647.2646 0.0000 0.0000 51977.5053 -109446.4505 298.7154 -161423.9558 -109087.8221 299.1261 94.2402 123.5134 762292.0872 5.6185 5.3360 PRESSURE: 1655200 -135.331 -83.687 23.745 -83.6864 -131.794 165.571 23.7451 165.571 -7.30282 GPRESSURE: 1655200 -127.624 -79.0501 13.937 -37.4335 -39.5561 256.12 16.8633 162.991 -31.1625 PRESSAVG: 1655200 -14.1365 0.974414 31.2852 0.974453 -11.6609 10.6007 31.2851 10.6006 -5.99265 GPRESSAVG: 1655200 -14.9977 1.43742 29.2008 2.12115 -10.4714 12.4371 31.1954 9.02192 -6.07783 TIMING: 1655200 CPU: 5301.41, 0.00315441/step Wall: 5301.41, 0.00315441/step, 2.93079 hours remaining, 232.281250 MB of memory in use. ENERGY: 1655200 3987.6918 20388.9222 14558.1504 245.6448 -203225.7244 2592.9164 0.0000 0.0000 52034.0313 -109418.3676 299.0403 -161452.3989 -109051.9809 298.9388 -91.4757 -66.1141 763099.8802 -10.5967 -10.5157 PRESSURE: 1655400 -47.711 -32.8482 -68.6284 -32.8478 -116.428 17.263 -68.6287 17.2624 50.8991 GPRESSURE: 1655400 -23.122 -35.5266 -1.25654 24.0002 -33.7009 -45.3894 -22.7526 -47.1895 33.5877 PRESSAVG: 1655400 19.2939 -16.5257 17.6489 -16.5257 -5.62263 -7.74276 17.6488 -7.7428 32.8026 GPRESSAVG: 1655400 20.8308 -15.265 18.8166 -17.9079 -6.85504 -11.4328 19.5691 -6.33655 32.4113 TIMING: 1655400 CPU: 5302.04, 0.00314526/step Wall: 5302.04, 0.00314526/step, 2.92212 hours remaining, 232.281250 MB of memory in use. ENERGY: 1655400 3953.0741 20515.3028 14509.2758 238.1007 -203395.1027 2667.2782 0.0000 0.0000 52024.6365 -109487.4345 298.9863 -161512.0710 -109130.8326 298.8931 -37.7468 -7.7451 761644.0122 15.4913 15.4624 PRESSURE: 1655600 257.768 -30.2647 -212.829 -30.2645 -51.2875 26.9251 -212.828 26.9261 -500.927 GPRESSURE: 1655600 352.431 -105.945 -232.875 -95.4263 57.8292 62.8168 -55.9758 -51.8585 -594.032 PRESSAVG: 1655600 -5.16796 -1.23261 24.3766 -1.23266 24.4335 -34.6312 24.3766 -34.6313 -26.7777 GPRESSAVG: 1655600 -4.7412 -2.42879 24.5897 -2.5697 24.7702 -32.4679 24.2484 -34.4818 -26.8803 TIMING: 1655600 CPU: 5302.67, 0.00316011/step Wall: 5302.67, 0.00316011/step, 2.93575 hours remaining, 232.281250 MB of memory in use. ENERGY: 1655600 4029.2841 20452.5973 14482.0690 246.2643 -203312.7231 2479.1936 0.0000 0.0000 52070.7381 -109552.5768 299.2512 -161623.3149 -109191.6255 299.2579 -98.1490 -61.2573 761348.8715 -2.5041 -2.2838 PRESSURE: 1655800 -81.3617 20.3028 1.4632 20.302 -260.572 -66.4918 1.46267 -66.4913 -85.5949 GPRESSURE: 1655800 -85.469 -17.3073 36.634 21.4283 -204.384 -42.296 -53.6957 83.7559 -49.0254 PRESSAVG: 1655800 10.8848 -10.6511 -23.9323 -10.6511 -55.7441 4.50821 -23.9322 4.50828 5.21379 GPRESSAVG: 1655800 9.63785 -10.5217 -24.0693 -8.62017 -55.0082 5.03093 -24.7085 4.64601 6.0436 TIMING: 1655800 CPU: 5303.31, 0.00316406/step Wall: 5303.31, 0.00316406/step, 2.93923 hours remaining, 232.281250 MB of memory in use. ENERGY: 1655800 3983.8848 20344.4797 14492.2101 258.0991 -202905.0952 2098.7935 0.0000 0.0000 52147.9736 -109579.6543 299.6951 -161727.6279 -109210.4004 299.1925 -142.5094 -112.9596 760762.7963 -13.2152 -13.1089 PRESSURE: 1656000 219.419 11.0484 166.298 11.0486 100.524 128.51 166.298 128.509 -7.93411 GPRESSURE: 1656000 242.283 30.7074 238.57 166.389 99.858 141.233 227.797 156.599 33.0773 PRESSAVG: 1656000 -44.9176 13.8695 65.736 13.8695 16.4481 10.7905 65.736 10.7906 0.258279 GPRESSAVG: 1656000 -45.2403 15.134 66.7453 14.3303 16.4117 11.8536 66.8471 9.83649 0.716502 TIMING: 1656000 CPU: 5303.94, 0.0031834/step Wall: 5303.94, 0.0031834/step, 2.95703 hours remaining, 232.281250 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: 1656000 3904.9683 20471.9850 14495.0592 245.2867 -203154.3620 2423.9203 0.0000 0.0000 51953.7917 -109659.3509 298.5792 -161613.1426 -109304.1359 298.8394 104.0032 125.0727 760051.7621 -9.4037 -9.3707 PRESSURE: 1656200 -239.729 -35.3849 53.1255 -35.3848 -205.112 210.128 53.1257 210.129 -23.0334 GPRESSURE: 1656200 -179.793 104.573 56.2033 4.87069 -145.721 248.585 -89.5598 87.0197 -46.0653 PRESSAVG: 1656200 -16.5684 -3.18639 64.7126 -3.18636 -1.218 28.2309 64.7126 28.2308 -8.19123 GPRESSAVG: 1656200 -16.605 -5.0441 65.2381 -5.07831 -1.75772 25.4318 62.2154 29.9608 -7.77893 TIMING: 1656200 CPU: 5304.58, 0.0031728/step Wall: 5304.58, 0.0031728/step, 2.947 hours remaining, 232.281250 MB of memory in use. ENERGY: 1656200 3957.7552 20326.4412 14461.4332 253.1973 -202884.1640 2040.3622 0.0000 0.0000 52365.8951 -109479.0798 300.9475 -161844.9749 -109109.8592 299.1407 -155.9582 -123.8596 760736.2188 -8.6592 -8.7139 LDB: ============= START OF LOAD BALANCING ============== 5317 LDB: ============== END OF LOAD BALANCING =============== 5317 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5317 LDB: ============= START OF LOAD BALANCING ============== 5317.32 LDB: Largest compute 7069 load 0.033277 is 17.0% of average load 0.195376 LDB: Average compute 0.004402 is 2.3% of average load 0.195376 LDB: TIME 5317.32 LOAD: AVG 0.195376 MAX 0.210566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.5 MB LDB: TIME 5317.32 LOAD: AVG 0.195376 MAX 0.210566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: TIME 5317.32 LOAD: AVG 0.195376 MAX 0.210566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: ============== END OF LOAD BALANCING =============== 5317.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5317.33 PRESSURE: 1656400 -128.771 96.8247 -119.077 96.8248 11.0271 -65.6091 -119.077 -65.6098 -114.344 GPRESSURE: 1656400 -67.7038 34.2194 -75.0625 42.5611 -46.9406 -33.472 -121.71 12.4095 -9.83094 PRESSAVG: 1656400 25.8398 -50.896 22.7444 -50.896 -22.6183 5.53565 22.7445 5.53561 0.215689 GPRESSAVG: 1656400 26.4881 -49.0645 21.5653 -50.8421 -22.7779 6.08645 24.6996 3.86578 0.0892798 TIMING: 1656400 CPU: 5305.22, 0.00322706/step Wall: 5305.22, 0.00322706/step, 2.99722 hours remaining, 231.812500 MB of memory in use. ENERGY: 1656400 3911.7351 20579.3056 14504.3780 264.8732 -202711.1919 2069.1204 0.0000 0.0000 52099.1007 -109282.6789 299.4142 -161381.7796 -108918.2644 299.3136 -77.3627 -41.4918 760154.5742 1.1457 1.2665 PRESSURE: 1656600 206.802 -100.46 -230.716 -100.461 -53.4353 -98.5736 -230.716 -98.5731 240.849 GPRESSURE: 1656600 267.395 -87.7283 -170.138 -183.705 15.6295 -61.7202 -231.214 -64.1195 213.735 PRESSAVG: 1656600 59.4599 -17.6828 36.979 -17.6828 -58.9879 -4.3605 36.979 -4.36048 -19.1731 GPRESSAVG: 1656600 59.9597 -18.5832 35.8776 -17.0504 -57.6 -4.04627 38.1585 -2.29561 -20.891 TIMING: 1656600 CPU: 5305.86, 0.00317234/step Wall: 5305.86, 0.00317234/step, 2.94622 hours remaining, 232.011719 MB of memory in use. ENERGY: 1656600 3931.1099 20559.4998 14499.1286 242.3362 -203119.8782 2576.2218 0.0000 0.0000 51915.1532 -109396.4287 298.3571 -161311.5819 -109032.4513 299.5595 131.4054 165.5866 761032.5351 -6.2337 -6.1771 PRESSURE: 1656800 -51.4083 -71.3557 -262.897 -71.3562 -55.7017 -125.034 -262.897 -125.034 -48.6039 GPRESSURE: 1656800 -97.9553 -44.6783 -246.905 -71.1987 -9.95605 -115.473 -266.96 -127.41 34.9495 PRESSAVG: 1656800 40.3588 -20.7837 -12.9603 -20.7837 -44.4785 -28.5206 -12.9603 -28.5206 11.1434 GPRESSAVG: 1656800 40.125 -22.0186 -10.5315 -20.1371 -45.983 -28.7372 -16.1965 -31.2126 12.9068 TIMING: 1656800 CPU: 5306.49, 0.00316881/step Wall: 5306.49, 0.00316881/step, 2.94277 hours remaining, 232.011719 MB of memory in use. ENERGY: 1656800 3997.9555 20505.1519 14484.3401 220.4698 -203250.4982 2405.4703 0.0000 0.0000 52113.5789 -109523.5316 299.4975 -161637.1105 -109161.3240 298.9829 -51.9046 -24.3206 761841.3500 2.3412 2.3496 PRESSURE: 1657000 8.24878 139.225 138.523 139.225 -52.1813 190.57 138.522 190.569 144.12 GPRESSURE: 1657000 -10.3346 99.3519 224.818 63.1523 52.5493 275.562 161.83 139.114 126.099 PRESSAVG: 1657000 -18.83 21.0233 24.7714 21.0233 -6.4778 12.1048 24.7713 12.1048 13.8181 GPRESSAVG: 1657000 -20.1149 20.1191 24.7847 21.8247 -4.42899 14.3306 25.9735 12.2554 12.756 TIMING: 1657000 CPU: 5307.12, 0.00316339/step Wall: 5307.12, 0.00316339/step, 2.93756 hours remaining, 232.011719 MB of memory in use. ENERGY: 1657000 3995.4434 20696.7555 14450.3557 236.0397 -203169.1089 2333.5354 0.0000 0.0000 51976.7012 -109480.2780 298.7108 -161456.9792 -109127.0159 299.3751 33.3957 56.1046 760419.8092 -3.8299 -3.9293 PRESSURE: 1657200 364.927 15.8226 66.5501 15.8225 -117.948 290.379 66.5503 290.38 404.875 GPRESSURE: 1657200 356.981 -69.8327 79.7947 56.8508 -68.7269 287.813 41.2346 242.026 424.55 PRESSAVG: 1657200 21.0209 -50.1886 14.4612 -50.1886 -30.648 14.3763 14.4613 14.3763 0.709905 GPRESSAVG: 1657200 21.3752 -49.2462 14.4733 -50.956 -30.8593 10.8578 14.4261 16.505 0.955462 TIMING: 1657200 CPU: 5307.76, 0.00316593/step Wall: 5307.76, 0.00316593/step, 2.93974 hours remaining, 232.011719 MB of memory in use. ENERGY: 1657200 4010.4562 20571.8496 14500.9881 253.5639 -203927.1674 2960.7276 0.0000 0.0000 52104.6697 -109524.9122 299.4463 -161629.5820 -109160.7991 299.4272 217.2845 237.6014 761629.3600 -2.9724 -2.8429 PRESSURE: 1657400 -282.716 -180.464 -241.526 -180.463 -288.01 22.5311 -241.527 22.532 89.3597 GPRESSURE: 1657400 -341.061 -253.361 -202.54 -109.754 -130.08 39.492 -249.1 6.71927 75.5167 PRESSAVG: 1657400 14.5163 18.8822 -8.37623 18.8822 -16.796 -8.67369 -8.37624 -8.67367 -2.52701 GPRESSAVG: 1657400 16.1705 18.1004 -9.28071 18.3387 -18.6987 -5.59728 -5.65432 -9.44243 -2.13934 TIMING: 1657400 CPU: 5308.39, 0.00314258/step Wall: 5308.39, 0.00314258/step, 2.91788 hours remaining, 232.011719 MB of memory in use. ENERGY: 1657400 3992.9824 20515.1144 14541.6332 249.0585 -203431.5148 2601.9463 0.0000 0.0000 52177.4285 -109353.3515 299.8644 -161530.7800 -108982.4988 299.6202 -160.4556 -131.8746 761766.2814 -1.6022 -1.5559 PRESSURE: 1657600 138.749 114.807 87.046 114.807 114.599 45.4736 87.0455 45.4736 12.7744 GPRESSURE: 1657600 216.435 16.6685 164.173 100.396 83.6038 66.6681 90.247 -0.41578 57.269 PRESSAVG: 1657600 106.382 12.9391 66.063 12.9391 -55.8886 45.6775 66.063 45.6775 -12.1397 GPRESSAVG: 1657600 106.07 13.659 65.8752 14.6224 -55.3524 44.6343 63.5718 46.8273 -11.8715 TIMING: 1657600 CPU: 5309.02, 0.00317678/step Wall: 5309.02, 0.00317678/step, 2.94946 hours remaining, 232.011719 MB of memory in use. ENERGY: 1657600 4009.8308 20649.3076 14570.7492 240.8681 -203706.7174 2833.8929 0.0000 0.0000 52055.7904 -109346.2784 299.1653 -161402.0688 -108985.5049 300.0822 88.7074 119.1025 762116.8551 12.7846 12.9486 PRESSURE: 1657800 58.5686 -8.14318 184.451 -8.14275 123.318 -219.378 184.451 -219.377 -217.473 GPRESSURE: 1657800 46.505 -80.2637 141.596 86.6087 170.324 -116.353 183.559 -314.677 -164.144 PRESSAVG: 1657800 16.8753 0.878843 -32.9282 0.878845 13.5634 -20.1594 -32.9282 -20.1594 5.61411 GPRESSAVG: 1657800 16.5771 1.8029 -33.2529 -0.206183 14.696 -20.0344 -32.4971 -21.2718 4.91375 TIMING: 1657800 CPU: 5309.65, 0.00315551/step Wall: 5309.65, 0.00315551/step, 2.92954 hours remaining, 232.011719 MB of memory in use. ENERGY: 1657800 3930.8223 20549.9843 14568.1306 263.2903 -203535.7751 2688.4755 0.0000 0.0000 51956.7082 -109578.3640 298.5959 -161535.0722 -109218.0576 299.7458 -11.8620 17.5618 760488.2527 12.0176 12.0623 PRESSURE: 1658000 1.01014 -0.203964 -35.0846 -0.20424 -30.6828 -91.2746 -35.0847 -91.2748 304.292 GPRESSURE: 1658000 -1.86634 -14.8898 -13.7799 8.46778 14.2113 -106.439 -87.7213 -99.8652 329.486 PRESSAVG: 1658000 80.1048 20.3252 3.82172 20.3252 -36.1837 -40.2203 3.8216 -40.2203 -11.4343 GPRESSAVG: 1658000 79.5246 20.0835 3.9811 20.9503 -35.6904 -40.5411 3.55776 -39.4994 -11.5082 TIMING: 1658000 CPU: 5310.28, 0.00314573/step Wall: 5310.28, 0.00314573/step, 2.92029 hours remaining, 232.011719 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: 1658000 4028.2319 20526.0498 14538.8547 247.3752 -203437.5907 2530.8387 0.0000 0.0000 51998.8388 -109567.4016 298.8380 -161566.2404 -109201.2120 299.3105 91.5398 113.9438 761812.4162 10.8289 10.7753 PRESSURE: 1658200 142.661 -253.317 -183.866 -253.318 -363.04 318.406 -183.865 318.407 -21.1628 GPRESSURE: 1658200 71.8063 -334.618 -98.2092 -291.836 -235.206 333.318 -95.9145 304.068 13.351 PRESSAVG: 1658200 41.7951 -17.6429 32.9974 -17.6429 -47.9758 50.6102 32.9974 50.6103 -11.3795 GPRESSAVG: 1658200 41.5586 -16.868 33.9448 -20.9795 -48.1909 51.4666 34.2782 50.0518 -10.534 TIMING: 1658200 CPU: 5310.91, 0.00313341/step Wall: 5310.91, 0.00313341/step, 2.90868 hours remaining, 232.011719 MB of memory in use. ENERGY: 1658200 4016.3382 20605.3346 14456.9800 244.6770 -203447.2059 2677.7733 0.0000 0.0000 51966.5452 -109479.5576 298.6524 -161446.1028 -109121.1507 299.2627 -80.5139 -50.0161 761978.4943 -5.8534 -5.7221 PRESSURE: 1658400 -144.325 119.137 132.826 119.137 8.37665 70.3124 132.826 70.3104 -360.991 GPRESSURE: 1658400 -104.179 172.165 6.13704 56.3416 -0.107539 35.0169 168.948 92.5495 -305.765 PRESSAVG: 1658400 1.83574 20.9721 0.643768 20.9722 14.362 56.2792 0.64376 56.2792 2.94298 GPRESSAVG: 1658400 1.94522 19.2552 -0.449733 23.655 14.771 54.4362 0.913613 56.4076 2.57838 TIMING: 1658400 CPU: 5311.54, 0.00316877/step Wall: 5311.54, 0.00316877/step, 2.94132 hours remaining, 232.011719 MB of memory in use. ENERGY: 1658400 4089.8301 20524.4263 14580.1311 237.9022 -203057.2523 2315.8602 0.0000 0.0000 52047.9773 -109261.1250 299.1204 -161309.1023 -108893.1582 299.7676 -165.6463 -136.6836 762475.6915 6.3802 6.4315 PRESSURE: 1658600 234.064 -188.539 -277.071 -188.539 -78.2995 53.4951 -277.071 53.494 138.352 GPRESSURE: 1658600 324.798 -144.704 -315.207 -53.2113 -69.1309 74.9194 -153.477 70.1211 121.861 PRESSAVG: 1658600 28.3705 -58.747 -5.67322 -58.747 -32.8887 11.0242 -5.67321 11.0242 -4.35729 GPRESSAVG: 1658600 28.1776 -58.4189 -3.79076 -59.7842 -33.5498 12.8554 -4.07218 9.29783 -4.13423 TIMING: 1658600 CPU: 5312.18, 0.00320308/step Wall: 5312.18, 0.00320308/step, 2.97299 hours remaining, 232.011719 MB of memory in use. ENERGY: 1658600 3918.6707 20388.4306 14512.5119 223.2817 -203048.3335 2489.2251 0.0000 0.0000 52200.0676 -109316.1458 299.9945 -161516.2134 -108946.3750 299.5690 98.0386 125.8428 762712.0069 -2.9585 -3.1688 PRESSURE: 1658800 -275.112 -77.2444 240.348 -77.2449 -89.8247 -57.5517 240.349 -57.5522 -281.395 GPRESSURE: 1658800 -245.215 -18.9565 255.832 -89.773 37.0094 -20.5142 156.354 88.4039 -353.739 PRESSAVG: 1658800 47.3572 5.11708 53.4499 5.11703 -30.437 15.5691 53.4498 15.5692 -3.41146 GPRESSAVG: 1658800 48.1918 5.35041 53.1717 4.70351 -30.4333 15.2024 51.0903 17.579 -4.14955 TIMING: 1658800 CPU: 5312.83, 0.00321386/step Wall: 5312.83, 0.00321386/step, 2.98282 hours remaining, 232.011719 MB of memory in use. ENERGY: 1658800 3982.0981 20532.6837 14512.4207 250.3590 -203084.8296 2300.4845 0.0000 0.0000 52305.2278 -109201.5557 300.5989 -161506.7835 -108849.0378 299.5704 -215.4440 -187.3149 762157.3406 4.5029 4.5363 PRESSURE: 1659000 -77.0919 3.84432 -103.908 3.84447 -226.62 39.2697 -103.907 39.2699 132.741 GPRESSURE: 1659000 -66.0986 7.11525 -198.598 -45.816 -179.319 99.6461 -39.9287 39.6667 142.605 PRESSAVG: 1659000 13.0053 -26.111 16.0963 -26.111 8.06485 -42.4091 16.0963 -42.4091 -10.5284 GPRESSAVG: 1659000 11.6848 -25.2189 13.28 -25.3652 8.79973 -41.8023 15.6506 -43.7595 -10.191 TIMING: 1659000 CPU: 5313.46, 0.00319269/step Wall: 5313.46, 0.00319269/step, 2.963 hours remaining, 232.011719 MB of memory in use. ENERGY: 1659000 3978.3779 20606.4711 14578.4113 266.9501 -203170.6302 2572.0912 0.0000 0.0000 51911.0211 -109257.3074 298.3334 -161168.3286 -108897.7991 299.4746 -56.9903 -34.2707 762831.8506 3.5139 3.4312 PRESSURE: 1659200 17.2611 10.3292 -16.8176 10.3299 -167.945 -141.979 -16.8177 -141.978 152.462 GPRESSURE: 1659200 100.901 10.5326 61.2946 110.152 -125.166 -131.402 193.596 -163.019 121.347 PRESSAVG: 1659200 60.4015 38.6873 27.7434 38.6872 -66.9619 -54.7152 27.7434 -54.7151 -9.44675 GPRESSAVG: 1659200 60.2593 35.5143 27.7794 39.2221 -66.8401 -53.293 29.241 -53.1376 -9.33646 TIMING: 1659200 CPU: 5314.1, 0.00317528/step Wall: 5314.1, 0.00317528/step, 2.94666 hours remaining, 232.011719 MB of memory in use. ENERGY: 1659200 4008.6360 20434.5942 14585.6253 268.4492 -203244.2333 2516.0975 0.0000 0.0000 51913.8494 -109516.9818 298.3496 -161430.8312 -109153.5175 299.2453 0.5926 32.3609 762328.0919 -5.3357 -5.3058 PRESSURE: 1659400 -82.4812 38.3025 -159.296 38.3026 -383.312 0.716651 -159.295 0.715989 -151.415 GPRESSURE: 1659400 -92.2942 93.6943 -128.613 2.4258 -403.659 -59.9038 -160.278 -9.33914 -47.8813 PRESSAVG: 1659400 11.2751 -26.3252 16.1328 -26.3252 1.80224 -44.146 16.1328 -44.1459 26.1199 GPRESSAVG: 1659400 11.9437 -25.6892 18.5382 -27.6325 2.2434 -46.9375 14.8837 -45.4674 25.5226 TIMING: 1659400 CPU: 5314.73, 0.00316171/step Wall: 5314.73, 0.00316171/step, 2.93389 hours remaining, 232.011719 MB of memory in use. ENERGY: 1659400 4001.2143 20667.1072 14545.6931 259.1970 -203232.4805 2450.9533 0.0000 0.0000 51811.0350 -109497.2807 297.7587 -161308.3157 -109141.0420 298.9097 -205.7360 -181.2782 762760.9809 13.0657 13.2366 PRESSURE: 1659600 -204.448 -117.116 102.943 -117.116 -129.924 52.2017 102.942 52.2007 -222.698 GPRESSURE: 1659600 -137.087 -138.225 87.9656 -137.368 -54.7304 -61.7121 94.2347 136.641 -282.09 PRESSAVG: 1659600 -6.29919 -37.4508 5.50665 -37.4509 -18.3961 -19.7856 5.50663 -19.7856 8.72906 GPRESSAVG: 1659600 -6.19542 -35.4913 3.6269 -36.8483 -19.5118 -19.3303 6.16481 -19.8408 9.37603 TIMING: 1659600 CPU: 5315.36, 0.00316251/step Wall: 5315.36, 0.00316251/step, 2.93446 hours remaining, 232.011719 MB of memory in use. ENERGY: 1659600 4072.6121 20587.5603 14568.0842 234.5889 -203248.7619 2291.1233 0.0000 0.0000 52142.1051 -109352.6880 299.6614 -161494.7931 -108994.2343 299.4167 -185.6902 -157.9693 762825.8493 -5.3221 -5.4437 PRESSURE: 1659800 -304.3 -262.207 6.15752 -262.208 279.319 88.3983 6.15837 88.3983 43.2517 GPRESSURE: 1659800 -298.739 -187.437 -21.0401 -282.061 363.514 148.617 58.7876 116.123 45.4616 PRESSAVG: 1659800 -1.05702 -68.137 27.2737 -68.137 -37.2056 -17.1116 27.2736 -17.1117 -13.0071 GPRESSAVG: 1659800 -1.92344 -70.8754 29.6824 -67.6763 -35.3093 -14.6209 26.6316 -16.3807 -13.455 TIMING: 1659800 CPU: 5315.99, 0.00314497/step Wall: 5315.99, 0.00314497/step, 2.918 hours remaining, 232.011719 MB of memory in use. ENERGY: 1659800 3990.9545 20385.7198 14482.3651 252.6751 -203707.2842 2817.1968 0.0000 0.0000 52344.7628 -109433.6102 300.8261 -161778.3730 -109060.8820 299.3872 6.0904 36.7455 761707.6506 -17.0899 -16.8959 PRESSURE: 1660000 334.801 178.241 139.379 178.241 230.236 -130.418 139.379 -130.419 -31.9236 GPRESSURE: 1660000 382.88 145.681 98.216 142.847 247.508 -81.6061 73.9707 2.05758 -17.6512 PRESSAVG: 1660000 -5.68159 -28.7998 24.3963 -28.7997 25.3028 -13.1644 24.3963 -13.1645 15.1145 GPRESSAVG: 1660000 -4.51158 -27.7081 22.1888 -27.3432 23.8986 -16.1703 23.1727 -12.8561 16.1166 TIMING: 1660000 CPU: 5316.62, 0.00316131/step Wall: 5316.62, 0.00316131/step, 2.93299 hours remaining, 232.011719 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: 1660000 3980.5379 20563.9617 14555.6181 246.3528 -203674.4998 2625.7416 0.0000 0.0000 52156.6696 -109545.6181 299.7451 -161702.2877 -109182.8412 299.3091 177.7045 204.2459 761393.5745 11.5786 11.8345 PRESSURE: 1660200 -85.2327 207.095 57.8854 207.095 18.8874 -79.2732 57.8843 -79.2731 59.3251 GPRESSURE: 1660200 -10.6026 53.1708 60.8849 198.776 28.2342 -125.537 46.613 11.4955 35.927 PRESSAVG: 1660200 28.1081 -43.9215 33.056 -43.9214 -23.4078 -4.3833 33.0559 -4.38332 -3.69572 GPRESSAVG: 1660200 28.9813 -43.5213 33.3383 -45.7234 -23.1271 -2.70108 33.2142 -3.98392 -4.81825 TIMING: 1660200 CPU: 5317.26, 0.00315847/step Wall: 5317.26, 0.00315847/step, 2.93018 hours remaining, 232.011719 MB of memory in use. ENERGY: 1660200 4120.9457 20526.0370 14525.3772 250.6692 -203623.6100 2656.9084 0.0000 0.0000 52038.1943 -109505.4781 299.0642 -161543.6724 -109146.1577 299.2325 -2.3401 17.8529 760194.5994 0.3349 0.3453 LDB: ============= START OF LOAD BALANCING ============== 5329.68 LDB: ============== END OF LOAD BALANCING =============== 5329.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5329.68 LDB: ============= START OF LOAD BALANCING ============== 5330 LDB: Largest compute 7033 load 0.035886 is 18.4% of average load 0.195389 LDB: Average compute 0.004394 is 2.2% of average load 0.195389 LDB: TIME 5330 LOAD: AVG 0.195389 MAX 0.215444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.758 MB LDB: TIME 5330 LOAD: AVG 0.195389 MAX 0.215444 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.961 MB LDB: TIME 5330 LOAD: AVG 0.195389 MAX 0.215444 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.961 MB LDB: ============== END OF LOAD BALANCING =============== 5330 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5330.01 PRESSURE: 1660400 254.556 71.378 -101.398 71.3783 212.563 -4.16376 -101.397 -4.16355 400.09 GPRESSURE: 1660400 222.437 68.373 -108.173 50.4699 325.578 -16.6417 -53.9285 15.4767 391.424 PRESSAVG: 1660400 -1.33999 60.7611 12.8863 60.7611 39.5452 -52.3256 12.8864 -52.3256 15.1869 GPRESSAVG: 1660400 -2.92826 60.7851 13.7981 61.9109 40.9225 -53.923 13.6285 -53.8094 15.7237 TIMING: 1660400 CPU: 5317.9, 0.00322559/step Wall: 5317.9, 0.00322559/step, 2.99227 hours remaining, 231.570312 MB of memory in use. ENERGY: 1660400 4005.5464 20431.1576 14506.4923 252.3680 -203653.7430 2824.1340 0.0000 0.0000 52291.0640 -109342.9809 300.5175 -161634.0449 -108979.7324 299.6449 289.0696 313.1462 761019.3581 17.7974 17.9060 PRESSURE: 1660600 -12.0727 -24.0045 192.925 -24.0052 -181.94 109.269 192.925 109.268 119.478 GPRESSURE: 1660600 76.1207 8.45582 204.609 -55.5998 -86.0056 131.93 37.4856 159.464 27.3163 PRESSAVG: 1660600 15.6819 5.82678 -30.2425 5.82679 39.7304 -25.1629 -30.2425 -25.1629 13.3169 GPRESSAVG: 1660600 16.7583 6.04535 -30.8911 4.72262 38.3333 -25.3398 -29.9054 -23.9861 13.6318 TIMING: 1660600 CPU: 5318.54, 0.00318474/step Wall: 5318.54, 0.00318474/step, 2.9542 hours remaining, 231.570312 MB of memory in use. ENERGY: 1660600 4010.4853 20546.1354 14555.9103 238.4298 -203677.5531 2727.2089 0.0000 0.0000 52357.2168 -109242.1666 300.8976 -161599.3834 -108881.2625 300.2326 -24.8448 5.8105 762558.6425 22.9097 22.9078 PRESSURE: 1660800 -218.184 -111.194 158.247 -111.194 -113.692 32.5392 158.248 32.5389 -324.945 GPRESSURE: 1660800 -223.167 -129.382 139.088 -204.827 -29.4719 -25.6641 51.1068 -89.3135 -325.629 PRESSAVG: 1660800 -14.7693 -30.3142 -28.5242 -30.3142 24.3621 22.4849 -28.5241 22.4848 1.87655 GPRESSAVG: 1660800 -14.9906 -30.5417 -29.4962 -32.1469 25.1069 22.5083 -31.33 21.7516 1.07125 TIMING: 1660800 CPU: 5319.18, 0.00318259/step Wall: 5319.18, 0.00318259/step, 2.95203 hours remaining, 231.570312 MB of memory in use. ENERGY: 1660800 3973.7354 20382.8493 14499.7076 233.5634 -202791.2817 2193.4829 0.0000 0.0000 52121.9936 -109385.9495 299.5458 -161507.9431 -109014.3974 300.2406 -218.9403 -192.7559 762392.9379 3.8231 3.7292 PRESSURE: 1661000 8.20359 179.195 -118.975 179.196 -253.683 187.338 -118.975 187.337 66.1924 GPRESSURE: 1661000 -88.1822 47.5151 -115.811 157.343 -164.9 207.307 55.3316 214.708 141.741 PRESSAVG: 1661000 1.79234 -57.7775 -14.6696 -57.7776 36.2877 26.5588 -14.6696 26.5588 -8.62994 GPRESSAVG: 1661000 0.569171 -57.6296 -13.6633 -55.6655 37.3543 26.8471 -11.9476 26.5617 -8.82723 TIMING: 1661000 CPU: 5319.81, 0.00318411/step Wall: 5319.81, 0.00318411/step, 2.95326 hours remaining, 231.570312 MB of memory in use. ENERGY: 1661000 4033.8996 20660.2433 14495.3714 246.9516 -203250.9202 2443.2631 0.0000 0.0000 52284.3261 -109086.8652 300.4787 -161371.1913 -108736.2287 300.2037 -59.7625 -37.1136 759917.6377 9.8167 9.6987 PRESSURE: 1661200 69.4341 -3.39197 117.158 -3.39224 -293.346 37.3764 117.158 37.3761 -61.8188 GPRESSURE: 1661200 113.422 -18.6767 109.935 1.95462 -240.137 23.8655 199.04 24.6949 -81.4203 PRESSAVG: 1661200 -38.7674 -18.0447 28.3762 -18.0447 -12.2248 -34.7524 28.3762 -34.7524 14.9063 GPRESSAVG: 1661200 -38.0306 -16.8289 28.3632 -19 -13.2851 -35.049 28.6005 -33.7609 14.8913 TIMING: 1661200 CPU: 5320.45, 0.00317818/step Wall: 5320.45, 0.00317818/step, 2.94759 hours remaining, 231.570312 MB of memory in use. ENERGY: 1661200 4029.4245 20699.9015 14512.4973 250.0309 -203185.5675 2277.1822 0.0000 0.0000 52341.1196 -109075.4114 300.8051 -161416.5310 -108708.0245 300.7766 -95.2435 -69.3785 759732.7154 -12.0286 -12.1415 PRESSURE: 1661400 -102.034 148.338 11.418 148.339 -300.896 -67.7164 11.4177 -67.7162 -202.813 GPRESSURE: 1661400 -97.1094 131.307 -46.8763 153.251 -228.237 -16.0312 110.26 -62.1424 -196.556 PRESSAVG: 1661400 3.73841 -33.4014 12.7536 -33.4014 7.69538 29.8933 12.7536 29.8933 14.7342 GPRESSAVG: 1661400 3.06522 -34.1843 12.3453 -32.0973 8.33656 30.5679 13.6669 28.6208 14.7018 TIMING: 1661400 CPU: 5321.08, 0.00317625/step Wall: 5321.08, 0.00317625/step, 2.94562 hours remaining, 231.570312 MB of memory in use. ENERGY: 1661400 4014.0658 20663.3635 14482.1709 268.8712 -203408.1729 2386.0058 0.0000 0.0000 52361.4970 -109232.1988 300.9222 -161593.6958 -108865.7081 300.6315 -201.9146 -173.9673 759223.9404 8.7227 8.7012 PRESSURE: 1661600 216.797 -160.647 115.44 -160.646 -486.632 -50.1543 115.44 -50.1549 -78.4811 GPRESSURE: 1661600 236.145 -209.393 86.9716 -122.96 -448.878 -41.9477 180.814 -68.3837 -44.677 PRESSAVG: 1661600 5.11335 -57.3867 42.3209 -57.3867 -5.52746 -53.3431 42.3208 -53.3431 7.49928 GPRESSAVG: 1661600 4.58019 -57.194 43.6166 -57.36 -6.01236 -52.5943 40.4776 -54.0901 8.3547 TIMING: 1661600 CPU: 5321.72, 0.00316504/step Wall: 5321.72, 0.00316504/step, 2.93505 hours remaining, 231.570312 MB of memory in use. ENERGY: 1661600 4071.2433 20624.4346 14444.7405 255.0845 -203181.3144 2434.1288 0.0000 0.0000 52393.6926 -108957.9901 301.1073 -161351.6827 -108591.4067 300.5083 -116.1054 -85.8034 760256.2036 2.3617 2.3075 PRESSURE: 1661800 -191.996 -211.516 111.852 -211.515 -403.218 183.568 111.852 183.569 -107.772 GPRESSURE: 1661800 -195.524 -202.401 112.534 -307.642 -248.061 155.053 147.105 167.949 -166 PRESSAVG: 1661800 -4.02837 -49.6748 58.6372 -49.6748 60.2511 -47.0864 58.6372 -47.0864 9.16232 GPRESSAVG: 1661800 -3.74567 -48.8085 57.3571 -49.5236 59.7546 -48.1088 59.6976 -45.9655 9.31776 TIMING: 1661800 CPU: 5322.35, 0.00318837/step Wall: 5322.35, 0.00318837/step, 2.9565 hours remaining, 231.570312 MB of memory in use. ENERGY: 1661800 3951.6894 20677.1053 14495.7827 251.6580 -203021.3056 2329.8016 0.0000 0.0000 52062.2484 -109253.0203 299.2025 -161315.2687 -108889.0765 299.7043 -234.3288 -203.1950 761597.5887 21.7950 21.7756 PRESSURE: 1662000 -212.772 -0.95883 -109.059 -0.958467 24.5885 269.2 -109.059 269.2 -263.299 GPRESSURE: 1662000 -299.784 0.0233865 -136.333 33.1297 117.595 294.77 92.3162 217.054 -171.764 PRESSAVG: 1662000 48.0466 -31.0061 46.658 -31.0061 -15.9606 -3.60783 46.658 -3.60778 27.4526 GPRESSAVG: 1662000 48.0141 -29.3595 46.3176 -33.2665 -15.7724 -5.35471 44.6299 -3.17208 27.4151 TIMING: 1662000 CPU: 5322.99, 0.00316937/step Wall: 5322.99, 0.00316937/step, 2.93871 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1662000 4001.1094 20561.0596 14472.0425 249.9490 -202860.8658 2138.1786 0.0000 0.0000 52248.4501 -109190.0766 300.2726 -161438.5267 -108816.3675 299.8834 -150.4939 -117.9846 761425.4059 19.8462 19.8856 PRESSURE: 1662200 111.805 70.9803 -70.2984 70.9806 71.7313 171.935 -70.2989 171.936 143.572 GPRESSURE: 1662200 56.8958 88.8417 -67.6332 85.7365 146.115 134.365 -23.1541 238.224 195.559 PRESSAVG: 1662200 19.1967 -57.1895 -0.476275 -57.1896 8.4306 19.7047 -0.476374 19.7047 0.636759 GPRESSAVG: 1662200 19.4568 -59.9461 -0.326041 -54.7187 8.37348 19.8793 1.77383 19.1721 0.31723 TIMING: 1662200 CPU: 5323.62, 0.00318681/step Wall: 5323.62, 0.00318681/step, 2.9547 hours remaining, 231.570312 MB of memory in use. ENERGY: 1662200 3984.2700 20562.3481 14465.1367 258.8311 -203386.9338 2618.1277 0.0000 0.0000 52444.5494 -109053.6708 301.3995 -161498.2202 -108686.1726 300.1252 109.0361 132.8567 759773.0898 9.4214 9.3825 PRESSURE: 1662400 -133.195 56.7046 152.01 56.7044 8.97828 101.23 152.01 101.23 -327.676 GPRESSURE: 1662400 -33.8348 14.5474 196.604 -47.56 -41.5441 77.9878 165.945 233.049 -288.539 PRESSAVG: 1662400 23.8192 -12.7199 12.3464 -12.7199 -8.14619 6.68394 12.3464 6.68396 -13.34 GPRESSAVG: 1662400 23.8017 -10.8726 12.9522 -15.2887 -8.29403 7.21643 8.68963 7.60829 -13.1912 TIMING: 1662400 CPU: 5324.27, 0.00320845/step Wall: 5324.27, 0.00320845/step, 2.97459 hours remaining, 231.570312 MB of memory in use. ENERGY: 1662400 4011.1630 20558.3025 14459.2379 245.0400 -202898.7907 2245.7778 0.0000 0.0000 52231.9470 -109147.3225 300.1777 -161379.2695 -108785.0813 300.2014 -150.6311 -121.3061 761488.1886 0.7777 0.7721 PRESSURE: 1662600 -43.9178 -203.697 359.85 -203.697 -191.01 -6.23571 359.849 -6.23558 37.7961 GPRESSURE: 1662600 25.3025 -271.332 277.483 -140.059 -214.493 -25.7325 313.197 -64.1704 71.2992 PRESSAVG: 1662600 -11.0402 -93.0295 26.5581 -93.0296 -6.04583 1.32672 26.558 1.32662 -4.40721 GPRESSAVG: 1662600 -11.539 -93.3925 26.7884 -90.9757 -5.75724 2.65349 29.3121 0.380112 -4.05227 TIMING: 1662600 CPU: 5324.91, 0.00320761/step Wall: 5324.91, 0.00320761/step, 2.97363 hours remaining, 231.570312 MB of memory in use. ENERGY: 1662600 3973.8816 20639.1739 14530.5922 250.5718 -203008.5180 2155.1915 0.0000 0.0000 52195.0791 -109264.0278 299.9658 -161459.1070 -108904.6550 299.8476 -65.7105 -39.2970 760411.7893 -7.1644 -7.1162 PRESSURE: 1662800 118.892 -26.3063 63.98 -26.3062 -387.753 249.271 63.981 249.271 -0.155846 GPRESSURE: 1662800 5.3083 -9.57323 67.923 26.0952 -193.689 162.486 47.5281 139.419 31.5631 PRESSAVG: 1662800 60.0882 -33.0467 6.94292 -33.0467 3.7396 -6.86884 6.94294 -6.86886 8.62373 GPRESSAVG: 1662800 60.2692 -33.3627 6.68744 -34.2506 3.98397 -7.27546 6.86285 -6.45757 8.66557 TIMING: 1662800 CPU: 5325.54, 0.00316062/step Wall: 5325.54, 0.00316062/step, 2.92989 hours remaining, 231.570312 MB of memory in use. ENERGY: 1662800 4045.4426 20443.9880 14527.8151 245.0013 -202943.0259 2372.2012 0.0000 0.0000 52082.7040 -109225.8737 299.3200 -161308.5776 -108854.2116 299.5464 -89.6723 -52.2725 761871.5969 24.1505 24.3062 PRESSURE: 1663000 375.707 -192.316 -46.9965 -192.316 -72.9354 -14.1473 -46.9967 -14.1481 -274.977 GPRESSURE: 1663000 415.403 -162.034 -125.643 -31.514 -43.4121 -22.2459 -48.5385 50.2719 -241.872 PRESSAVG: 1663000 5.95833 -18.9932 19.4791 -18.9931 25.1867 45.1105 19.4791 45.1105 7.92078 GPRESSAVG: 1663000 4.56125 -18.3448 19.8636 -17.9565 25.5592 45.0045 19.767 43.8612 8.43063 TIMING: 1663000 CPU: 5326.17, 0.00314846/step Wall: 5326.17, 0.00314846/step, 2.91845 hours remaining, 231.570312 MB of memory in use. ENERGY: 1663000 3942.9071 20455.6749 14517.8921 263.0071 -203249.3442 2233.2404 0.0000 0.0000 52200.8023 -109635.8203 299.9987 -161836.6226 -109271.3322 299.3651 9.2646 43.3730 762112.3654 13.0219 12.8504 PRESSURE: 1663200 -2.70094 48.1591 224.798 48.1598 -276.942 44.32 224.798 44.3195 -33.2675 GPRESSURE: 1663200 -82.5739 15.5583 266.448 107.714 -108.056 -27.0486 229.842 34.1949 -11.8156 PRESSAVG: 1663200 10.0455 -27.1858 13.0834 -27.1858 -51.1212 40.3977 13.0833 40.3977 -20.7922 GPRESSAVG: 1663200 10.2427 -27.5267 12.5653 -27.9898 -51.6739 39.9691 12.778 43.2532 -20.1284 TIMING: 1663200 CPU: 5326.8, 0.00314729/step Wall: 5326.8, 0.00314729/step, 2.91719 hours remaining, 231.570312 MB of memory in use. ENERGY: 1663200 3968.6031 20428.0948 14499.5542 252.3138 -203325.6008 2557.4210 0.0000 0.0000 52132.9042 -109486.7097 299.6085 -161619.6139 -109120.8717 299.0908 -104.3034 -67.4818 761771.3664 -20.6226 -20.5199 PRESSURE: 1663400 -398.528 164.627 4.85322 164.626 -168.516 30.583 4.85367 30.5829 161.285 GPRESSURE: 1663400 -269.956 117.525 39.1103 88.2458 -171.811 8.71006 76.2656 -55.7325 129.958 PRESSAVG: 1663400 35.3759 12.2788 12.4186 12.2788 19.5289 1.5365 12.4186 1.53654 8.38652 GPRESSAVG: 1663400 37.9826 12.0476 14.0197 10.7704 17.9544 1.04957 10.9238 -0.261337 7.35656 TIMING: 1663400 CPU: 5327.43, 0.00315035/step Wall: 5327.43, 0.00315035/step, 2.91985 hours remaining, 231.570312 MB of memory in use. ENERGY: 1663400 3928.1065 20450.7419 14503.8150 256.0282 -203065.4111 2422.2449 0.0000 0.0000 52294.9962 -109209.4783 300.5401 -161504.4745 -108836.1611 299.8765 -135.2530 -103.9364 763362.0998 21.0971 21.0979 PRESSURE: 1663600 -115.183 -192.916 66.4674 -192.915 31.6728 -87.5959 66.4668 -87.5959 120.435 GPRESSURE: 1663600 -176.685 -240.733 22.7111 -178.2 123.277 -119.367 113.577 -27.2073 177.881 PRESSAVG: 1663600 -8.79198 -43.8832 3.32935 -43.8832 6.12898 20.8663 3.32927 20.8663 -3.99545 GPRESSAVG: 1663600 -10.7682 -43.6301 1.09933 -40.0743 7.56561 21.6603 6.43659 19.609 -3.51663 TIMING: 1663600 CPU: 5328.06, 0.00315049/step Wall: 5328.06, 0.00315049/step, 2.9198 hours remaining, 231.570312 MB of memory in use. ENERGY: 1663600 4052.7017 20590.4459 14544.4431 272.2359 -203276.2300 2778.7213 0.0000 0.0000 52027.8940 -109009.7880 299.0050 -161037.6820 -108653.6183 299.6564 12.3081 41.4911 764032.3649 -2.2195 -2.2397 PRESSURE: 1663800 60.4338 -120.371 -1.21584 -120.371 194.709 139.592 -1.21574 139.592 42.6861 GPRESSURE: 1663800 125.022 -87.8431 -40.852 -157.776 170.483 164.786 21.278 35.0488 89.8373 PRESSAVG: 1663800 -60.9789 -76.4739 10.6194 -76.4739 10.9418 24.1251 10.6193 24.1251 -14.3116 GPRESSAVG: 1663800 -58.1591 -75.5226 10.776 -78.185 10.0323 23.2979 9.14009 23.0171 -15.419 TIMING: 1663800 CPU: 5328.69, 0.00313457/step Wall: 5328.69, 0.00313457/step, 2.90488 hours remaining, 231.570312 MB of memory in use. ENERGY: 1663800 3916.4287 20494.1041 14616.5186 236.7555 -203136.4903 2464.7947 0.0000 0.0000 52197.4138 -109210.4748 299.9793 -161407.8887 -108850.6185 299.7096 99.2763 128.4476 762403.5321 -21.4496 -21.1819 PRESSURE: 1664000 96.7888 9.24424 -87.5537 9.24422 -167.952 -66.8793 -87.5541 -66.8793 91.7281 GPRESSURE: 1664000 157.942 26.7161 -138.233 -52.0824 -99.3303 -55.0026 -58.6532 13.7956 68.1837 PRESSAVG: 1664000 -42.2501 -63.7791 31.815 -63.7791 8.9467 40.651 31.8151 40.651 -4.27359 GPRESSAVG: 1664000 -43.9291 -63.5882 33.1965 -64.2229 9.42669 41.923 30.775 42.9534 -3.01234 TIMING: 1664000 CPU: 5329.32, 0.00317478/step Wall: 5329.32, 0.00317478/step, 2.94196 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1664000 4016.2315 20540.0133 14466.6328 241.1673 -203211.0195 2699.8882 0.0000 0.0000 51979.8357 -109267.2507 298.7288 -161247.0864 -108909.3227 299.6590 6.8549 42.2651 761084.4926 -12.5257 -12.5049 PRESSURE: 1664200 -484.516 43.2365 6.2957 43.2355 -91.7231 -57.2802 6.29518 -57.2791 -215.289 GPRESSURE: 1664200 -441.554 40.456 -30.57 21.2793 -42.2783 52.6373 26.194 -68.9908 -230.396 PRESSAVG: 1664200 -52.9268 -60.9012 -26.4424 -60.9012 -3.99195 -33.8305 -26.4424 -33.8306 8.57351 GPRESSAVG: 1664200 -53.5578 -60.7492 -27.4645 -62.184 -3.55988 -32.7539 -26.6985 -34.2425 8.85239 TIMING: 1664200 CPU: 5329.96, 0.00318891/step Wall: 5329.96, 0.00318891/step, 2.95488 hours remaining, 231.570312 MB of memory in use. ENERGY: 1664200 3998.2482 20496.1807 14612.5865 243.6989 -203062.4059 2245.0539 0.0000 0.0000 52147.4718 -109319.1659 299.6922 -161466.6377 -108951.6475 299.1790 -263.8426 -238.0762 762694.0448 -16.1151 -16.0884 LDB: ============= START OF LOAD BALANCING ============== 5342.38 LDB: ============== END OF LOAD BALANCING =============== 5342.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5342.39 LDB: ============= START OF LOAD BALANCING ============== 5342.7 LDB: Largest compute 7048 load 0.033616 is 17.2% of average load 0.195506 LDB: Average compute 0.004399 is 2.3% of average load 0.195506 LDB: TIME 5342.71 LOAD: AVG 0.195506 MAX 0.212308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.109 MB LDB: TIME 5342.71 LOAD: AVG 0.195506 MAX 0.212308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: TIME 5342.71 LOAD: AVG 0.195506 MAX 0.212308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: ============== END OF LOAD BALANCING =============== 5342.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5342.72 PRESSURE: 1664400 -78.3019 13.4324 265.772 13.4321 -143.701 -37.9786 265.773 -37.9781 -159.235 GPRESSURE: 1664400 -81.8171 -78.7164 277.427 -41.6458 -115.841 -5.71059 261.312 -14.0622 -113.194 PRESSAVG: 1664400 3.96624 -56.8124 -16.6628 -56.8125 32.5718 -34.7055 -16.6627 -34.7056 -19.922 GPRESSAVG: 1664400 4.33874 -59.8573 -15.2824 -54.1968 32.9693 -36.0272 -16.5302 -33.7429 -20.4079 TIMING: 1664400 CPU: 5330.61, 0.00325089/step Wall: 5330.61, 0.00325089/step, 3.01213 hours remaining, 230.656250 MB of memory in use. ENERGY: 1664400 4051.2307 20532.1738 14505.8089 217.5105 -202955.5975 2380.7191 0.0000 0.0000 52003.3352 -109264.8194 298.8639 -161268.1546 -108916.6906 299.3428 -127.0794 -103.6171 761014.4520 5.5387 5.6334 PRESSURE: 1664600 -299.887 256.926 -86.7443 256.926 65.3935 -145.835 -86.7453 -145.834 37.959 GPRESSURE: 1664600 -187.003 266.604 -133.368 208.227 40.6411 -120.972 13.51 -175.183 18.955 PRESSAVG: 1664600 22.2151 22.7996 -6.72988 22.7997 -38.3595 -17.4298 -6.72987 -17.4298 17.9712 GPRESSAVG: 1664600 23.0499 24.0192 -7.5259 20.787 -38.5945 -18.2114 -7.15666 -18.7615 16.7399 TIMING: 1664600 CPU: 5331.24, 0.00315311/step Wall: 5331.24, 0.00315311/step, 2.92135 hours remaining, 230.914062 MB of memory in use. ENERGY: 1664600 3909.4363 20403.7586 14522.8304 255.4170 -203205.3392 2445.4055 0.0000 0.0000 52298.5399 -109369.9516 300.5604 -161668.4914 -109003.8231 299.3658 -65.5115 -42.4690 761803.4671 0.6089 0.3984 PRESSURE: 1664800 87.7949 -334.97 -52.0386 -334.97 -286.526 -55.716 -52.0379 -55.717 91.6675 GPRESSURE: 1664800 66.7601 -100.32 -64.1689 -273.677 -194.3 -79.2516 -13.2768 -6.17284 102.86 PRESSAVG: 1664800 22.462 -26.0156 -5.63289 -26.0156 -56.3045 -32.7452 -5.63296 -32.7453 10.5936 GPRESSAVG: 1664800 21.8329 -25.7538 -5.44725 -24.9543 -56.8896 -32.7338 -4.1684 -30.4803 12.6885 TIMING: 1664800 CPU: 5331.87, 0.00315265/step Wall: 5331.87, 0.00315265/step, 2.92075 hours remaining, 230.914062 MB of memory in use. ENERGY: 1664800 4002.1947 20540.8828 14566.1346 243.7396 -203310.8038 2623.8852 0.0000 0.0000 52104.1138 -109229.8532 299.4431 -161333.9670 -108875.4482 299.4927 -35.6879 -8.2265 761439.4720 -7.7496 -7.4561 PRESSURE: 1665000 107.404 21.0625 8.40953 21.0617 179.872 52.8829 8.40969 52.8824 327.848 GPRESSURE: 1665000 137.782 1.91604 15.5656 40.1774 229.639 -34.6558 -18.5102 66.1529 326.794 PRESSAVG: 1665000 34.8962 -68.357 24.2931 -68.3571 -31.8938 -27.6357 24.2931 -27.6357 -10.1066 GPRESSAVG: 1665000 34.9937 -70.187 23.1668 -68.6355 -32.1896 -29.0576 23.8956 -30.0526 -10.2737 TIMING: 1665000 CPU: 5332.5, 0.00316644/step Wall: 5332.5, 0.00316644/step, 2.93335 hours remaining, 230.914062 MB of memory in use. ENERGY: 1665000 3929.3268 20537.4476 14553.5106 250.9738 -203548.2372 2879.8532 0.0000 0.0000 52191.4977 -109205.6274 299.9453 -161397.1251 -108843.5297 299.0790 205.0411 231.4049 761886.3651 -2.3681 -2.4899 PRESSURE: 1665200 -53.9514 -183.056 6.71197 -183.056 47.8902 5.30286 6.71267 5.30371 -290.966 GPRESSURE: 1665200 40.2195 -135.754 -44.2854 -132.413 86.5275 -24.514 -65.0685 158.245 -328.102 PRESSAVG: 1665200 40.375 -19.0846 17.5261 -19.0846 -83.4067 -48.1828 17.5261 -48.1827 -10.4543 GPRESSAVG: 1665200 40.7658 -18.1045 17.2899 -19.1848 -82.896 -45.6993 16.6732 -49.8999 -11.4874 TIMING: 1665200 CPU: 5333.14, 0.00316729/step Wall: 5333.14, 0.00316729/step, 2.93397 hours remaining, 230.914062 MB of memory in use. ENERGY: 1665200 3960.6302 20439.1521 14506.8263 238.3816 -203162.9139 2560.1889 0.0000 0.0000 52206.8786 -109250.8561 300.0336 -161457.7347 -108886.5578 299.8744 -99.0090 -67.1184 762983.5503 -17.8287 -17.8725 PRESSURE: 1665400 33.0356 61.7865 31.932 61.7874 -187.626 295.674 31.9318 295.673 -390.415 GPRESSURE: 1665400 62.5459 98.7431 24.3951 29.6469 -143.029 325.234 97.3984 121.497 -376.307 PRESSAVG: 1665400 31.9593 4.86991 13.7006 4.86994 -83.6863 -37.1045 13.7005 -37.1045 17.5855 GPRESSAVG: 1665400 32.2044 4.24642 12.7714 4.3061 -84.1598 -37.8324 14.2598 -37.2518 17.92 TIMING: 1665400 CPU: 5333.77, 0.00314147/step Wall: 5333.77, 0.00314147/step, 2.90988 hours remaining, 230.914062 MB of memory in use. ENERGY: 1665400 4000.3802 20543.9332 14558.0840 228.9833 -202670.8016 2317.0403 0.0000 0.0000 51996.1859 -109026.1948 298.8228 -161022.3807 -108666.3191 299.8352 -181.6684 -152.2632 761826.8458 -11.3805 -11.3451 PRESSURE: 1665600 76.6987 89.2486 -93.7671 89.2483 -39.1579 -168.761 -93.7663 -168.762 -151.265 GPRESSURE: 1665600 208.771 73.2073 -91.7488 -24.0831 -41.1997 -180.895 -109.748 13.2365 -180.94 PRESSAVG: 1665600 66.8353 -8.46023 -10.3103 -8.46016 -54.0121 50.6492 -10.3102 50.6491 -15.3803 GPRESSAVG: 1665600 66.8392 -6.48897 -9.50827 -9.17164 -53.5759 50.3814 -10.0071 51.4055 -14.9518 TIMING: 1665600 CPU: 5334.4, 0.0031509/step Wall: 5334.4, 0.0031509/step, 2.91843 hours remaining, 230.914062 MB of memory in use. ENERGY: 1665600 3904.0216 20531.8068 14591.8300 243.5587 -203080.8374 2521.4895 0.0000 0.0000 52315.3359 -108972.7950 300.6570 -161288.1309 -108624.7084 299.8016 -37.9081 -4.4564 761622.4372 -0.8523 -0.5628 PRESSURE: 1665800 146.807 64.3401 -182.838 64.3406 -85.3939 -133.337 -182.838 -133.337 -131.139 GPRESSURE: 1665800 61.4026 40.4299 -159.659 80.2727 79.3211 -157.348 -192.73 -103.661 -114.465 PRESSAVG: 1665800 40.1868 17.0258 0.418804 17.0258 -34.0044 -44.6602 0.418841 -44.6602 -14.8459 GPRESSAVG: 1665800 40.2014 18.1605 0.865024 16.8211 -33.636 -43.1276 1.55339 -43.1082 -15.8419 TIMING: 1665800 CPU: 5335.03, 0.00317981/step Wall: 5335.03, 0.00317981/step, 2.94503 hours remaining, 230.914062 MB of memory in use. ENERGY: 1665800 4001.8039 20545.5825 14580.0548 236.5004 -203582.2818 2668.5876 0.0000 0.0000 52416.9725 -109132.7800 301.2411 -161549.7525 -108774.9627 300.0802 -23.2421 8.7530 760249.8794 -2.8878 -3.0922 PRESSURE: 1666000 -228.567 -115.991 110.321 -115.99 -33.5741 181.13 110.321 181.13 -334.877 GPRESSURE: 1666000 -151.393 -128.234 46.6684 -48.0489 -148.764 221.878 172.308 27.7781 -223.595 PRESSAVG: 1666000 3.04249 -14.9554 -11.0572 -14.9555 16.5437 14.6028 -11.0572 14.6028 6.64463 GPRESSAVG: 1666000 3.08619 -17.4779 -10.3068 -13.9263 15.3016 14.4459 -13.4657 16.5213 8.01314 TIMING: 1666000 CPU: 5335.66, 0.00314535/step Wall: 5335.66, 0.00314535/step, 2.91294 hours remaining, 230.914062 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: 1666000 3964.4674 20402.5092 14592.3683 255.7008 -202807.6894 2216.0152 0.0000 0.0000 52246.7779 -109129.8507 300.2630 -161376.6286 -108767.0373 299.9135 -199.0059 -174.5841 763242.5340 8.7436 8.8003 PRESSURE: 1666200 162.472 65.6461 190.757 65.6471 7.01386 52.2739 190.757 52.2755 -14.147 GPRESSURE: 1666200 215.944 47.1288 127.822 -12.4849 13.9779 128.887 302.109 115.829 2.74148 PRESSAVG: 1666200 20.7634 -40.1062 21.4216 -40.1063 -13.0272 -30.0088 21.4215 -30.0088 26.9677 GPRESSAVG: 1666200 19.6318 -41.2001 21.0022 -41.318 -12.0033 -31.0728 23.2562 -33.1147 27.3971 TIMING: 1666200 CPU: 5336.3, 0.00317668/step Wall: 5336.3, 0.00317668/step, 2.94178 hours remaining, 230.914062 MB of memory in use. ENERGY: 1666200 3994.8751 20495.5916 14506.8353 242.6387 -203215.8495 2650.5337 0.0000 0.0000 52051.7980 -109273.5770 299.1424 -161325.3750 -108921.9413 299.7593 51.7797 77.5546 760454.1818 11.5680 11.6752 PRESSURE: 1666400 -276.551 -301.792 284.66 -301.792 -115.307 47.2996 284.66 47.2997 -173.357 GPRESSURE: 1666400 -307.147 -243.24 313.92 -328.384 -57.8182 53.7825 163.715 134.289 -120.031 PRESSAVG: 1666400 74.9297 -20.6919 17.2236 -20.6918 -33.0278 -33.2857 17.2235 -33.2857 9.48655 GPRESSAVG: 1666400 74.7462 -17.4795 18.1016 -20.4987 -33.0641 -32.2784 16.2953 -32.3589 10.1116 TIMING: 1666400 CPU: 5336.93, 0.00316389/step Wall: 5336.93, 0.00316389/step, 2.92976 hours remaining, 230.914062 MB of memory in use. ENERGY: 1666400 3974.6133 20604.0123 14539.3174 240.5220 -203089.2473 2544.0978 0.0000 0.0000 51968.7525 -109217.9321 298.6651 -161186.6846 -108859.4520 299.2390 -188.4049 -161.6651 761319.0391 17.1295 17.2646 PRESSURE: 1666600 -42.1379 -58.9058 -77.0935 -58.9051 -338.586 -310.399 -77.0935 -310.398 1.73315 GPRESSURE: 1666600 10.5041 -115.39 -144.754 63.5771 -320.245 -308.34 -17.3878 -131.572 4.88724 PRESSAVG: 1666600 57.4232 32.4162 30.6152 32.4162 -48.7782 -20.2375 30.6152 -20.2374 6.57522 GPRESSAVG: 1666600 57.4964 32.0521 29.1577 33.1093 -48.7042 -18.5484 30.6875 -20.0572 5.49314 TIMING: 1666600 CPU: 5337.56, 0.00313941/step Wall: 5337.56, 0.00313941/step, 2.90692 hours remaining, 230.914062 MB of memory in use. ENERGY: 1666600 4051.7029 20520.8633 14470.7349 248.9552 -202949.2844 2320.4753 0.0000 0.0000 52168.8312 -109167.7217 299.8150 -161336.5528 -108798.7128 299.8901 -126.3302 -101.6177 761430.4845 5.0734 4.7618 PRESSURE: 1666800 -204.278 -208.047 216.901 -208.048 -51.0022 -16.761 216.901 -16.7613 106.649 GPRESSURE: 1666800 -187.425 -231.117 224.377 -115.505 19.1461 -15.1551 285.268 -101.161 102.449 PRESSAVG: 1666800 25.1193 -60.7323 -10.9147 -60.7323 -47.9412 -13.6036 -10.9146 -13.6036 -3.27404 GPRESSAVG: 1666800 24.9513 -61.6014 -10.4944 -58.961 -47.1368 -15.6951 -12.523 -12.0829 -3.70104 TIMING: 1666800 CPU: 5338.19, 0.00314433/step Wall: 5338.19, 0.00314433/step, 2.9113 hours remaining, 230.914062 MB of memory in use. ENERGY: 1666800 4006.9891 20475.1330 14498.1303 235.7851 -202983.0725 2340.2073 0.0000 0.0000 52298.7735 -109128.0543 300.5618 -161426.8277 -108763.5998 300.1144 -49.5438 -21.9435 761096.6877 -8.6987 -8.6288 PRESSURE: 1667000 51.0722 -26.1613 246.611 -26.1613 107.603 -80.2052 246.611 -80.2049 -155.897 GPRESSURE: 1667000 85.3282 5.60283 224.902 -87.4697 99.1196 -61.4233 314.31 -13.8 -118.745 PRESSAVG: 1667000 4.15613 -79.5781 -3.19466 -79.5781 46.5598 -23.4569 -3.19469 -23.4569 -0.641452 GPRESSAVG: 1667000 5.11318 -79.0985 -4.37179 -82.2721 44.613 -24.2226 -0.456384 -25.0439 0.374747 TIMING: 1667000 CPU: 5338.81, 0.00314404/step Wall: 5338.81, 0.00314404/step, 2.91086 hours remaining, 230.914062 MB of memory in use. ENERGY: 1667000 3932.9420 20663.8793 14583.4080 248.2246 -203536.5691 2779.1814 0.0000 0.0000 52144.0456 -109184.8882 299.6725 -161328.9338 -108818.6198 299.8054 0.9260 21.9009 759911.7191 16.6915 16.7003 PRESSURE: 1667200 6.59205 83.728 -98.1033 83.7269 159.574 -88.1075 -98.1038 -88.1083 207.52 GPRESSURE: 1667200 90.8839 42.7692 -114.428 104.537 139.759 -91.9282 36.6722 -125.652 221.642 PRESSAVG: 1667200 -29.7335 -3.51235 17.1016 -3.51239 30.9243 -32.1138 17.1016 -32.1138 2.22031 GPRESSAVG: 1667200 -31.4355 -2.99776 17.1146 -3.86432 31.5914 -32.5287 15.4205 -30.9498 3.09377 TIMING: 1667200 CPU: 5339.45, 0.00315385/step Wall: 5339.45, 0.00315385/step, 2.91976 hours remaining, 230.914062 MB of memory in use. ENERGY: 1667200 3963.1045 20441.5483 14525.6489 228.9895 -202929.9814 2512.0246 0.0000 0.0000 51918.2608 -109340.4049 298.3750 -161258.6657 -108985.1840 299.6207 124.5618 150.7617 764017.3896 1.1370 1.0832 PRESSURE: 1667400 -7.33996 -279.246 96.2307 -279.245 -99.6403 28.357 96.2305 28.3573 -478.378 GPRESSURE: 1667400 2.08787 -245.927 66.7443 -236.259 -99.8174 2.12379 -37.9076 60.442 -411.45 PRESSAVG: 1667400 -22.4738 -47.5434 -35.6748 -47.5434 -3.39576 -44.3956 -35.6747 -44.3956 -15.3544 GPRESSAVG: 1667400 -21.0105 -48.3937 -34.7196 -47.3086 -3.672 -44.3775 -34.9804 -45.499 -15.9587 TIMING: 1667400 CPU: 5340.07, 0.00314835/step Wall: 5340.07, 0.00314835/step, 2.9145 hours remaining, 230.968750 MB of memory in use. ENERGY: 1667400 4047.7716 20420.5163 14513.1210 246.6158 -203148.6658 2331.3386 0.0000 0.0000 52077.4969 -109511.8057 299.2901 -161589.3026 -109146.0805 298.9580 -195.1194 -169.7266 762155.6729 -13.7413 -13.5471 PRESSURE: 1667600 33.2962 146.265 272.248 146.265 134.954 -132.666 272.248 -132.665 34.9967 GPRESSURE: 1667600 43.8308 201.637 285.312 -4.22063 147.108 -80.9568 358.382 -271.611 77.1387 PRESSAVG: 1667600 24.7106 -40.5332 29.4233 -40.5332 -27.9143 -1.60314 29.4233 -1.60306 2.3466 GPRESSAVG: 1667600 23.6275 -38.9703 31.127 -40.0164 -27.6537 0.934136 27.1984 -1.04914 3.11415 TIMING: 1667600 CPU: 5340.71, 0.00315551/step Wall: 5340.71, 0.00315551/step, 2.92095 hours remaining, 230.968750 MB of memory in use. ENERGY: 1667600 4104.5365 20520.4886 14640.8784 230.2466 -203756.5266 2800.3363 0.0000 0.0000 52111.8902 -109348.1499 299.4877 -161460.0401 -108980.1534 299.3978 67.7491 89.3593 760299.7320 -0.2857 -0.3040 PRESSURE: 1667800 249.562 -163.19 -40.284 -163.191 324.967 189.833 -40.2847 189.833 33.9503 GPRESSURE: 1667800 296.045 -117.459 -46.1721 -100.129 286.976 154.705 -58.9709 129.927 101.6 PRESSAVG: 1667800 88.3663 -44.0385 22.3582 -44.0385 -72.5107 -64.9494 22.3582 -64.9494 -29.3714 GPRESSAVG: 1667800 88.6089 -43.8061 21.2577 -44.3073 -71.7328 -67.53 22.5601 -64.3612 -30.5117 TIMING: 1667800 CPU: 5341.34, 0.0031536/step Wall: 5341.34, 0.0031536/step, 2.91901 hours remaining, 230.968750 MB of memory in use. ENERGY: 1667800 3970.2658 20582.7339 14485.2561 255.2406 -203543.8129 2712.6932 0.0000 0.0000 52057.5321 -109480.0911 299.1754 -161537.6232 -109124.6458 299.4286 202.8264 228.2068 761004.0139 -4.5053 -4.5452 PRESSURE: 1668000 2.12035 -60.4252 -68.5401 -60.4253 115.294 -146.597 -68.5407 -146.597 811.152 GPRESSURE: 1668000 1.2651 -99.0954 -142.372 17.6 154.002 -79.151 58.832 -55.3021 865.406 PRESSAVG: 1668000 30.6393 -96.7128 4.07223 -96.7128 -41.0058 -23.6357 4.07223 -23.6358 10.8853 GPRESSAVG: 1668000 31.6584 -98.0788 3.57359 -95.4211 -41.7786 -23.9671 5.92321 -21.2281 10.9691 TIMING: 1668000 CPU: 5341.97, 0.00314556/step Wall: 5341.97, 0.00314556/step, 2.91139 hours remaining, 230.968750 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: 1668000 3973.8380 20433.9792 14559.5408 242.6857 -203705.7431 2746.6744 0.0000 0.0000 52323.8967 -109425.1283 300.7062 -161749.0250 -109053.9178 299.8326 309.5222 340.2245 759776.6768 0.1729 0.2830 PRESSURE: 1668200 -67.9573 51.1904 11.9727 51.1919 -263.017 -337.665 11.973 -337.665 -5.53282 GPRESSURE: 1668200 -52.9107 7.46932 -15.401 -4.18415 -186.929 -266.845 22.5187 -348.461 -13.3004 PRESSAVG: 1668200 -6.25121 -56.9455 -18.4346 -56.9455 -24.6154 -29.2167 -18.4346 -29.2167 -13.4792 GPRESSAVG: 1668200 -6.86658 -57.0812 -19.1439 -58.1506 -24.8959 -29.0198 -20.7642 -32.5905 -13.095 TIMING: 1668200 CPU: 5342.6, 0.00315123/step Wall: 5342.6, 0.00315123/step, 2.91647 hours remaining, 230.968750 MB of memory in use. ENERGY: 1668200 3933.2949 20463.4805 14640.1736 258.4791 -203518.4957 2478.2733 0.0000 0.0000 52230.8610 -109513.9332 300.1715 -161744.7943 -109139.8005 299.5343 -112.1692 -84.3802 758080.1817 -14.7819 -14.9525 LDB: ============= START OF LOAD BALANCING ============== 5355.02 LDB: ============== END OF LOAD BALANCING =============== 5355.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5355.02 LDB: ============= START OF LOAD BALANCING ============== 5355.34 LDB: Largest compute 7033 load 0.035123 is 17.7% of average load 0.198030 LDB: Average compute 0.004450 is 2.2% of average load 0.198030 LDB: TIME 5355.34 LOAD: AVG 0.19803 MAX 0.221266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.613 MB LDB: TIME 5355.34 LOAD: AVG 0.19803 MAX 0.221266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: TIME 5355.34 LOAD: AVG 0.19803 MAX 0.220099 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.613 MB LDB: ============== END OF LOAD BALANCING =============== 5355.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5355.35 PRESSURE: 1668400 170.884 22.1815 212.168 22.1812 14.6202 -18.6492 212.169 -18.6497 420.669 GPRESSURE: 1668400 155.8 -54.0132 256.645 -112.899 158.146 -75.6351 165.974 -9.99584 360.004 PRESSAVG: 1668400 0.621297 -77.4772 -13.0196 -77.4771 -9.69802 -36.6034 -13.0196 -36.6034 3.03488 GPRESSAVG: 1668400 0.143613 -78.3774 -10.9295 -76.6208 -10.5883 -37.2305 -11.2743 -37.0833 3.76375 TIMING: 1668400 CPU: 5343.25, 0.00324689/step Wall: 5343.25, 0.00324689/step, 3.00482 hours remaining, 231.683594 MB of memory in use. ENERGY: 1668400 3881.2450 20617.2027 14602.7579 260.8476 -203629.6638 2886.6577 0.0000 0.0000 51986.6449 -109394.3079 298.7680 -161380.9528 -109024.4880 299.5842 202.0576 224.6500 759607.1383 -2.0139 -2.2270 PRESSURE: 1668600 -168.96 -173.826 -111.028 -173.827 2.41068 -0.0929888 -111.028 -0.091868 265.399 GPRESSURE: 1668600 -100.483 -133.725 -166.172 -92.2996 75.2304 40.6974 -13.6487 -26.1309 186.833 PRESSAVG: 1668600 40.7218 -97.8788 -35.5139 -97.8787 -14.2323 10.2135 -35.5139 10.2135 3.29004 GPRESSAVG: 1668600 41.5719 -95.3791 -39.1975 -99.1621 -13.2017 11.2637 -32.5897 12.6483 1.22488 TIMING: 1668600 CPU: 5343.89, 0.00323007/step Wall: 5343.89, 0.00323007/step, 2.98907 hours remaining, 231.683594 MB of memory in use. ENERGY: 1668600 4036.6795 20571.7475 14609.7315 242.2846 -203637.5885 2504.6061 0.0000 0.0000 52182.2896 -109490.2496 299.8923 -161672.5392 -109117.0748 299.8122 32.9499 53.8603 759379.7029 9.9265 9.8650 PRESSURE: 1668800 213.205 -124.202 -164.941 -124.202 -104.683 -142.999 -164.941 -142.998 -34.8898 GPRESSURE: 1668800 220.682 73.8122 -54.6763 51.0982 -64.1065 -175.269 -235.279 -79.6264 -19.9712 PRESSAVG: 1668800 -25.2117 -93.6604 -66.6837 -93.6604 11.9429 -47.5248 -66.6837 -47.5248 -1.74649 GPRESSAVG: 1668800 -24.6882 -96.2875 -63.83 -90.909 10.9283 -49.2786 -70.2351 -47.372 -1.41824 TIMING: 1668800 CPU: 5344.54, 0.00322792/step Wall: 5344.54, 0.00322792/step, 2.9869 hours remaining, 231.683594 MB of memory in use. ENERGY: 1668800 4027.1419 20591.7794 14619.3530 270.0654 -203531.9862 2434.3483 0.0000 0.0000 51914.8690 -109674.4292 298.3555 -161589.2982 -109305.8961 299.2501 24.5440 45.5347 760950.2073 -5.0051 -5.0594 PRESSURE: 1669000 -66.8411 42.8085 95.6782 42.8082 -131.463 5.86948 95.678 5.86971 276.238 GPRESSURE: 1669000 -87.2644 4.41911 51.5314 81.2822 -108.915 11.6533 -45.9353 45.4248 355.31 PRESSAVG: 1669000 -62.2826 -27.2875 -25.5317 -27.2875 6.00969 -24.8825 -25.5317 -24.8824 -15.9009 GPRESSAVG: 1669000 -63.6706 -27.4389 -26.8034 -29.321 6.13607 -23.1466 -24.9313 -26.4473 -15.1558 TIMING: 1669000 CPU: 5345.19, 0.00325439/step Wall: 5345.19, 0.00325439/step, 3.01121 hours remaining, 231.683594 MB of memory in use. ENERGY: 1669000 4041.4528 20592.3270 14581.2783 260.0333 -204094.7616 2644.0227 0.0000 0.0000 52078.9461 -109896.7014 299.2984 -161975.6474 -109528.2614 299.2013 25.9783 53.0435 759021.3092 -24.0579 -24.2301 PRESSURE: 1669200 246.083 35.3146 113.338 35.3138 -67.9481 -18.778 113.338 -18.7779 -58.7014 GPRESSURE: 1669200 279.843 2.52059 111.752 38.0272 -58.3454 -103.263 26.6699 10.3257 -19.8748 PRESSAVG: 1669200 21.7724 -49.7575 48.5331 -49.7575 -14.3527 8.99185 48.533 8.9917 5.2762 GPRESSAVG: 1669200 23.4308 -46.5908 50.5389 -50.0789 -15.6292 8.68895 46.8123 9.34714 5.20257 TIMING: 1669200 CPU: 5345.84, 0.00325918/step Wall: 5345.84, 0.00325918/step, 3.01546 hours remaining, 231.683594 MB of memory in use. ENERGY: 1669200 3982.4366 20561.2776 14570.7492 240.4538 -203863.7263 2714.0505 0.0000 0.0000 51831.6062 -109963.1524 297.8770 -161794.7586 -109601.5857 298.6171 39.8112 67.2074 759498.0427 4.2320 4.3347 PRESSURE: 1669400 -196.941 -172.811 -3.22076 -172.811 -0.478437 -184.105 -3.22119 -184.105 11.4506 GPRESSURE: 1669400 -88.2827 -7.91118 -49.9844 -143.2 -5.91833 -133.66 115.444 -174.61 0.774226 PRESSAVG: 1669400 46.8028 -12.6717 -17.8787 -12.6716 -43.7326 -63.6922 -17.8787 -63.6922 20.4615 GPRESSAVG: 1669400 46.521 -14.4315 -18.1797 -14.2892 -43.3496 -63.9582 -15.2657 -65.6638 20.7081 TIMING: 1669400 CPU: 5346.48, 0.00321568/step Wall: 5346.48, 0.00321568/step, 2.97504 hours remaining, 231.683594 MB of memory in use. ENERGY: 1669400 4022.2529 20465.3406 14455.8719 246.1375 -203507.7606 2263.6265 0.0000 0.0000 52023.6199 -110030.9113 298.9805 -162054.5312 -109664.5122 298.4631 -61.9896 -31.1423 758787.4695 7.8439 7.9598 PRESSURE: 1669600 120.025 -259.439 81.3362 -259.439 52.8207 -19.3882 81.3364 -19.3889 73.9756 GPRESSURE: 1669600 149.718 -283.404 94.6945 -190.888 124.623 19.3153 -23.9684 -87.5421 59.7399 PRESSAVG: 1669600 32.8399 -43.4708 12.1832 -43.4707 -30.7699 -65.8311 12.1833 -65.8312 -4.7635 GPRESSAVG: 1669600 32.2099 -41.739 12.613 -42.2579 -30.0565 -65.9136 10.6335 -64.5775 -4.55845 TIMING: 1669600 CPU: 5347.11, 0.00313532/step Wall: 5347.11, 0.00313532/step, 2.90052 hours remaining, 231.683594 MB of memory in use. ENERGY: 1669600 3901.1467 20539.1716 14505.5353 237.1519 -203653.7206 2771.9893 0.0000 0.0000 51625.0854 -110073.6404 296.6901 -161698.7258 -109710.0890 298.2334 82.2740 111.3604 759141.0543 -0.8978 -0.8017 PRESSURE: 1669800 230.022 -21.602 -32.7409 -21.6008 -102.973 75.3104 -32.7411 75.3111 -136.475 GPRESSURE: 1669800 188.183 -50.7513 -96.964 67.3373 26.2388 107.54 17.2133 -6.81284 -146.827 PRESSAVG: 1669800 -16.9994 -19.2492 -5.26086 -19.2493 -37.8556 -70.097 -5.26082 -70.097 11.5446 GPRESSAVG: 1669800 -16.2033 -21.1038 -5.60745 -20.7351 -37.9614 -69.3325 -4.55684 -68.5234 10.6535 TIMING: 1669800 CPU: 5347.74, 0.00316154/step Wall: 5347.74, 0.00316154/step, 2.9246 hours remaining, 231.683594 MB of memory in use. ENERGY: 1669800 3981.5878 20559.2770 14479.9581 246.7431 -203597.7882 2502.2652 0.0000 0.0000 51864.0381 -109963.9188 298.0633 -161827.9569 -109610.1757 298.3464 -3.1421 22.5313 759673.8752 -14.4368 -14.5037 PRESSURE: 1670000 -338.63 -18.0422 25.4518 -18.0432 41.2906 -73.5382 25.4522 -73.5367 -174.056 GPRESSURE: 1670000 -235.965 67.0075 -2.73336 -9.80265 50.3844 -134.896 41.7037 -177.855 -213.144 PRESSAVG: 1670000 -8.17029 -12.8622 7.60457 -12.8622 4.49517 17.7508 7.60456 17.7508 28.7894 GPRESSAVG: 1670000 -9.35719 -11.4016 6.24975 -11.1919 5.02825 16.7028 6.08192 16.4877 29.3746 TIMING: 1670000 CPU: 5348.37, 0.00316041/step Wall: 5348.37, 0.00316041/step, 2.92338 hours remaining, 231.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1670000 4038.8954 20364.7539 14482.7561 261.3572 -203419.1872 2240.0265 0.0000 0.0000 52011.3842 -110020.0140 298.9101 -162031.3982 -109651.5107 297.7505 -157.1316 -132.9081 760569.1404 8.3714 8.3486 PRESSURE: 1670200 11.8234 22.9944 -64.523 22.9948 75.7074 -147.278 -64.5233 -147.277 -30.5946 GPRESSURE: 1670200 2.21581 129.483 22.5207 88.4927 118.927 -141.999 -58.0802 -17.6709 41.2 PRESSAVG: 1670200 -53.4642 9.94162 -6.844 9.94164 4.7093 25.0727 -6.84396 25.0727 -6.69889 GPRESSAVG: 1670200 -53.6302 8.42492 -4.63945 11.3344 4.22448 24.033 -7.04116 26.3355 -5.77462 TIMING: 1670200 CPU: 5349.01, 0.00317565/step Wall: 5349.01, 0.00317565/step, 2.9373 hours remaining, 231.683594 MB of memory in use. ENERGY: 1670200 3861.5631 20390.1541 14538.8276 241.4320 -203660.6638 2705.4476 0.0000 0.0000 51749.2115 -110174.0279 297.4034 -161923.2394 -109811.5258 298.4983 18.9787 54.1143 760244.1022 -18.4846 -18.3935 PRESSURE: 1670400 -150.707 36.3952 -196.439 36.395 -185.854 42.6053 -196.439 42.6037 -187.994 GPRESSURE: 1670400 -195.762 -67.9392 -155.154 -60.8665 -83.3737 74.1094 -194.1 -27.1124 -149.673 PRESSAVG: 1670400 -9.40712 -18.3608 -5.0197 -18.3607 49.6986 6.97426 -5.01969 6.97422 -16.0494 GPRESSAVG: 1670400 -9.62324 -18.2892 -6.18183 -19.6783 51.2622 7.83006 -4.12333 5.58635 -16.6066 TIMING: 1670400 CPU: 5349.64, 0.00315775/step Wall: 5349.64, 0.00315775/step, 2.92057 hours remaining, 231.683594 MB of memory in use. ENERGY: 1670400 3998.5376 20337.7657 14427.7230 235.3719 -203932.0060 2623.9502 0.0000 0.0000 52183.3700 -110125.2876 299.8985 -162308.6575 -109762.0230 298.2777 -174.8518 -142.9362 759322.1969 8.0807 8.3441 PRESSURE: 1670600 18.1483 103.436 -113.544 103.437 171.469 22.9797 -113.543 22.9793 -77.7826 GPRESSURE: 1670600 -10.0056 84.1742 -12.1661 107.646 274.424 34.6512 -281.133 133.769 -60.187 PRESSAVG: 1670600 44.7868 -41.6989 -33.564 -41.6989 -24.6615 -23.0489 -33.564 -23.0489 6.93915 GPRESSAVG: 1670600 44.6602 -41.0826 -34.5395 -41.3848 -24.9905 -22.9354 -32.5746 -21.6061 7.34218 TIMING: 1670600 CPU: 5350.27, 0.00316772/step Wall: 5350.27, 0.00316772/step, 2.92961 hours remaining, 231.683594 MB of memory in use. ENERGY: 1670600 3978.7626 20400.6054 14568.2269 242.5201 -203917.1553 2759.8004 0.0000 0.0000 51845.5315 -110121.7085 297.9570 -161967.2399 -109768.4136 298.4979 37.2783 68.0772 759249.1577 9.0215 9.0040 PRESSURE: 1670800 -477.015 -5.67428 20.1111 -5.67476 -446.655 -11.3901 20.1107 -11.391 -203.917 GPRESSURE: 1670800 -423.971 -94.0301 -41.5569 -42.961 -446.98 2.76848 92.5067 13.4587 -153.631 PRESSAVG: 1670800 59.4456 -57.6529 10.6419 -57.6528 -67.3975 45.903 10.6418 45.903 -10.3351 GPRESSAVG: 1670800 60.6637 -57.6089 11.2072 -57.5746 -68.0293 47.561 10.0537 44.6892 -10.4843 TIMING: 1670800 CPU: 5350.91, 0.0031539/step Wall: 5350.91, 0.0031539/step, 2.91666 hours remaining, 231.683594 MB of memory in use. ENERGY: 1670800 4041.0229 20517.0182 14619.0162 240.9876 -203154.2083 2037.3625 0.0000 0.0000 51762.7532 -109936.0478 297.4813 -161698.8009 -109584.0589 298.4413 -375.8625 -341.5271 759780.7460 -6.0957 -5.9500 PRESSURE: 1671000 41.7002 -60.8829 289.939 -60.8826 -52.4423 -225.669 289.939 -225.67 -198.876 GPRESSURE: 1671000 86.6673 -45.2253 283.11 -60.3467 -48.9372 -93.3865 218.402 -107.573 -174.881 PRESSAVG: 1671000 34.1587 1.08091 48.4868 1.08089 -26.9647 14.2659 48.4868 14.2659 -10.0431 GPRESSAVG: 1671000 34.3806 2.57346 49.8203 -0.630104 -26.6701 13.3945 47.5444 15.4737 -10.9162 TIMING: 1671000 CPU: 5351.54, 0.00315811/step Wall: 5351.54, 0.00315811/step, 2.92038 hours remaining, 231.683594 MB of memory in use. ENERGY: 1671000 4013.5928 20544.9216 14580.9011 232.5610 -203432.7368 2239.7295 0.0000 0.0000 51967.8512 -109853.1796 298.6600 -161821.0308 -109490.1959 298.9555 -69.8728 -45.7169 759404.3888 -0.9497 -1.0686 PRESSURE: 1671200 248.308 23.7622 -56.4186 23.7614 81.9198 33.0013 -56.4181 33.0011 108.902 GPRESSURE: 1671200 249.824 9.64692 -102.693 -81.9266 189.766 99.7473 -104.171 83.537 64.2372 PRESSAVG: 1671200 -8.53779 -5.51748 -12.3175 -5.51748 -28.6026 -67.8736 -12.3175 -67.8735 -10.674 GPRESSAVG: 1671200 -8.63278 -6.60341 -12.3253 -3.77612 -29.7818 -67.2143 -13.4811 -68.234 -9.22432 TIMING: 1671200 CPU: 5352.16, 0.00313763/step Wall: 5352.16, 0.00313763/step, 2.90126 hours remaining, 231.683594 MB of memory in use. ENERGY: 1671200 3916.4314 20378.6334 14589.2442 238.3405 -204090.2207 2716.6555 0.0000 0.0000 52268.7592 -109982.1565 300.3893 -162250.9157 -109605.2157 298.9444 146.3768 167.9426 758675.7242 -15.9381 -15.8796 PRESSURE: 1671400 133.337 137.556 -210.493 137.556 92.1116 -194.588 -210.492 -194.587 -144.755 GPRESSURE: 1671400 205.623 88.9596 -245.946 169.55 156.411 -172.235 -227.689 -293.242 -190.113 PRESSAVG: 1671400 55.2133 -1.89622 3.20728 -1.89622 -42.4315 -61.486 3.20723 -61.486 5.55833 GPRESSAVG: 1671400 54.5795 -3.86739 1.85117 0.00968792 -41.6192 -60.5873 4.09387 -63.297 4.9942 TIMING: 1671400 CPU: 5352.79, 0.00315117/step Wall: 5352.79, 0.00315117/step, 2.91361 hours remaining, 231.683594 MB of memory in use. ENERGY: 1671400 3947.7463 20369.7675 14538.3136 269.2268 -203869.8533 2584.6162 0.0000 0.0000 51837.6963 -110322.4867 297.9120 -162160.1830 -109962.8962 298.4880 26.8978 57.3071 758533.0106 6.1134 5.9848 PRESSURE: 1671600 -75.3851 -245.943 182.956 -245.944 -8.85022 27.5072 182.957 27.508 -235.813 GPRESSURE: 1671600 -13.4983 -200.774 203.844 -234.145 -34.3523 13.6237 190.437 4.89175 -180.712 PRESSAVG: 1671600 36.3647 19.1776 22.806 19.1777 -38.959 -33.932 22.806 -33.932 0.809996 GPRESSAVG: 1671600 38.3793 20.9267 22.076 19.0286 -40.0362 -37.7543 24.5029 -31.2043 0.387333 TIMING: 1671600 CPU: 5353.43, 0.00317322/step Wall: 5353.43, 0.00317322/step, 2.93382 hours remaining, 231.683594 MB of memory in use. ENERGY: 1671600 4085.2531 20389.2026 14543.4326 260.2341 -203627.1698 2320.3505 0.0000 0.0000 51787.1667 -110241.5303 297.6216 -162028.6970 -109873.2613 297.8718 -106.6827 -76.1875 758836.6944 -0.5948 -0.4232 PRESSURE: 1671800 -35.6498 -98.0492 -185.312 -98.049 -21.4769 -85.4951 -185.311 -85.4956 224.829 GPRESSURE: 1671800 -35.1208 -88.79 -123.714 -83.5033 34.6233 -82.1731 -201.034 -89.0626 249.612 PRESSAVG: 1671800 -41.4338 -13.5247 -4.89621 -13.5247 25.0524 25.9963 -4.89625 25.9964 -14.866 GPRESSAVG: 1671800 -42.1706 -13.4117 -3.70119 -15.279 25.4793 28.3645 -5.13796 23.9345 -15.1363 TIMING: 1671800 CPU: 5354.06, 0.00313641/step Wall: 5354.06, 0.00313641/step, 2.89961 hours remaining, 231.683594 MB of memory in use. ENERGY: 1671800 3944.4210 20488.2552 14566.6539 233.8046 -203487.7827 2279.8157 0.0000 0.0000 51884.2814 -110090.5509 298.1797 -161974.8323 -109730.4499 297.8657 55.9006 83.0381 758697.3497 -10.4158 -10.6092 PRESSURE: 1672000 64.841 75.3562 213.581 75.3574 -139.034 95.4655 213.581 95.4651 101.746 GPRESSURE: 1672000 57.7054 37.6807 47.8565 -26.8217 -69.6497 93.9617 173.335 112.351 109.236 PRESSAVG: 1672000 47.454 -17.0412 15.9471 -17.0412 -55.8074 -14.8508 15.9471 -14.8508 -3.32247 GPRESSAVG: 1672000 46.4907 -19.1802 13.1944 -15.6785 -55.5722 -14.9335 16.8918 -15.8005 -2.5989 TIMING: 1672000 CPU: 5354.69, 0.00318018/step Wall: 5354.69, 0.00318018/step, 2.9399 hours remaining, 231.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1672000 3996.1934 20629.7044 14569.8704 254.8885 -203846.4899 2556.6450 0.0000 0.0000 51871.6347 -109967.5537 298.1070 -161839.1883 -109618.7694 297.9315 9.1840 32.4306 759672.4628 -3.8920 -3.8935 PRESSURE: 1672200 -243.79 -298.646 15.3229 -298.646 355.141 150.469 15.3239 150.469 306.385 GPRESSURE: 1672200 -179.87 -288.223 -35.3461 -206.776 418.451 89.0694 -39.5114 93.8799 280.626 PRESSAVG: 1672200 11.2658 -52.7069 2.56318 -52.7069 2.17395 30.3155 2.56314 30.3155 -30.727 GPRESSAVG: 1672200 12.5061 -51.2525 4.08773 -53.8359 0.862624 31.0782 1.99803 31.6393 -30.5418 TIMING: 1672200 CPU: 5355.33, 0.00320813/step Wall: 5355.33, 0.00320813/step, 2.96556 hours remaining, 231.683594 MB of memory in use. ENERGY: 1672200 3938.5279 20480.8658 14566.0263 239.0492 -204026.4400 2861.8307 0.0000 0.0000 51954.1677 -109985.9724 298.5813 -161940.1401 -109625.8841 298.6112 139.2452 173.0686 759628.5593 -5.7624 -5.7244 LDB: ============= START OF LOAD BALANCING ============== 5367.76 LDB: ============== END OF LOAD BALANCING =============== 5367.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5367.76 LDB: ============= START OF LOAD BALANCING ============== 5368.08 LDB: Largest compute 7069 load 0.035261 is 18.0% of average load 0.195469 LDB: Average compute 0.004405 is 2.3% of average load 0.195469 LDB: TIME 5368.08 LOAD: AVG 0.195469 MAX 0.21366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.66 MB LDB: TIME 5368.08 LOAD: AVG 0.195469 MAX 0.21366 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.867 MB LDB: TIME 5368.08 LOAD: AVG 0.195469 MAX 0.21366 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.867 MB LDB: ============== END OF LOAD BALANCING =============== 5368.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5368.09 PRESSURE: 1672400 188.598 64.4917 186.513 64.4916 116.56 -29.6563 186.513 -29.6559 236.109 GPRESSURE: 1672400 247.207 -62.2204 173.797 42.3507 109.623 -13.4155 -85.1759 -179.338 272.161 PRESSAVG: 1672400 -58.5144 -51.783 -41.1986 -51.783 29.0459 -34.567 -41.1987 -34.567 24.5204 GPRESSAVG: 1672400 -59.404 -51.6661 -39.6418 -50.2946 30.1432 -33.0851 -41.9804 -37.6868 23.6111 TIMING: 1672400 CPU: 5355.98, 0.00325185/step Wall: 5355.98, 0.00325185/step, 3.00579 hours remaining, 232.203125 MB of memory in use. ENERGY: 1672400 4017.9315 20632.4963 14496.8468 232.7992 -203737.9427 2585.2022 0.0000 0.0000 51728.1224 -110044.5443 297.2822 -161772.6667 -109681.8705 298.6155 180.4221 209.6637 759389.9591 -1.6494 -1.8833 PRESSURE: 1672600 143.203 -74.1532 86.9052 -74.1531 31.2858 -39.5091 86.9054 -39.5092 220.312 GPRESSURE: 1672600 121.546 -103.987 45.2521 -24.3421 99.1389 47.2177 166.007 -59.013 282.608 PRESSAVG: 1672600 -40.2858 -59.5691 -7.16396 -59.5691 -11.1166 -40.6455 -7.16398 -40.6456 6.75466 GPRESSAVG: 1672600 -40.5319 -58.9176 -8.77686 -60.3358 -11.3234 -40.7729 -7.67596 -39.1081 7.32814 TIMING: 1672600 CPU: 5356.62, 0.00316635/step Wall: 5356.62, 0.00316635/step, 2.92659 hours remaining, 232.203125 MB of memory in use. ENERGY: 1672600 4004.4908 20554.5604 14532.3526 242.2350 -203267.6740 2340.5192 0.0000 0.0000 51847.5665 -109745.9494 297.9687 -161593.5160 -109381.4546 298.2350 131.6004 167.7641 759830.8076 -14.8826 -14.8424 PRESSURE: 1672800 4.43914 -246.203 -4.24699 -246.204 -208.822 -180.562 -4.24727 -180.563 -214.126 GPRESSURE: 1672800 40.9651 -309.235 -40.2477 -195.047 -235.013 -193.851 -6.43715 -229.616 -159.015 PRESSAVG: 1672800 -53.6082 -24.9839 14.1945 -24.9838 23.3461 -62.483 14.1945 -62.483 3.80489 GPRESSAVG: 1672800 -53.8082 -26.599 13.8489 -24.9136 24.2707 -64.2059 17.2503 -61.1179 3.36091 TIMING: 1672800 CPU: 5357.25, 0.00318082/step Wall: 5357.25, 0.00318082/step, 2.93978 hours remaining, 232.203125 MB of memory in use. ENERGY: 1672800 3954.7434 20603.9883 14498.8829 242.2190 -203430.4156 2443.1934 0.0000 0.0000 51992.6297 -109694.7589 298.8024 -161687.3886 -109331.8200 299.0631 -139.5032 -117.6874 759713.6465 -8.8191 -8.7256 PRESSURE: 1673000 -19.8997 19.5687 137.172 19.5681 327.821 -103.454 137.173 -103.455 58.2903 GPRESSURE: 1673000 -66.0258 100.297 163.321 174.385 373.425 -70.0495 244.625 -4.35413 117.106 PRESSAVG: 1673000 -1.09707 -37.7081 -8.42086 -37.7081 42.1386 -2.17164 -8.42084 -2.17164 -3.00545 GPRESSAVG: 1673000 -0.0771508 -34.2444 -6.84868 -38.4842 41.3387 -2.57257 -9.67488 -0.851674 -3.26228 TIMING: 1673000 CPU: 5357.88, 0.00314899/step Wall: 5357.88, 0.00314899/step, 2.91019 hours remaining, 232.203125 MB of memory in use. ENERGY: 1673000 3925.0517 20533.6751 14625.4905 259.8718 -203294.6358 2426.0666 0.0000 0.0000 52020.7207 -109503.7593 298.9638 -161524.4800 -109143.0947 299.0756 122.0707 141.5015 758975.0671 12.6787 12.6664 PRESSURE: 1673200 -152.486 126.761 -157.535 126.762 -110.035 -23.817 -157.536 -23.8163 227.314 GPRESSURE: 1673200 -45.2554 132.937 -151.525 182.453 -139.053 26.8442 -254.779 -46.0367 247.696 PRESSAVG: 1673200 14.869 -6.23619 12.1293 -6.23619 0.598922 2.22385 12.1293 2.22384 19.6066 GPRESSAVG: 1673200 15.5178 -8.01809 11.8026 -6.2793 -0.592949 1.66173 10.5922 1.9535 20.1572 TIMING: 1673200 CPU: 5358.52, 0.00316098/step Wall: 5358.52, 0.00316098/step, 2.9211 hours remaining, 232.203125 MB of memory in use. ENERGY: 1673200 4027.3719 20524.8072 14581.4696 222.3756 -203615.5753 2677.3760 0.0000 0.0000 52289.5066 -109292.6685 300.5085 -161582.1751 -108923.4151 299.5458 -11.7358 21.1291 759278.5170 11.6915 11.6940 PRESSURE: 1673400 28.0368 -49.3754 -77.3565 -49.3752 275.015 -144.327 -77.3573 -144.329 -140.062 GPRESSURE: 1673400 81.6681 -46.045 -118.694 -117.045 295.626 -128.427 3.17158 -207.378 -128.408 PRESSAVG: 1673400 -35.3748 34.9799 -26.9063 34.9799 -59.9439 -18.3496 -26.9062 -18.3497 -1.54465 GPRESSAVG: 1673400 -35.5793 36.082 -27.6741 34.3155 -59.6337 -17.6625 -25.1856 -20.0948 -2.42828 TIMING: 1673400 CPU: 5359.15, 0.0031644/step Wall: 5359.15, 0.0031644/step, 2.92408 hours remaining, 232.203125 MB of memory in use. ENERGY: 1673400 3980.7205 20539.1508 14534.0154 228.9383 -202901.3525 2361.7597 0.0000 0.0000 51918.9492 -109337.8185 298.3789 -161256.7677 -108966.7253 300.0264 54.3299 82.9618 760672.7724 -32.2878 -32.5471 PRESSURE: 1673600 -211.886 -84.6632 88.6737 -84.6631 -266.491 -153.367 88.6735 -153.367 -514.602 GPRESSURE: 1673600 -185.821 -18.4171 53.8163 -49.7551 -260.875 -179.397 184.053 -240.223 -460.583 PRESSAVG: 1673600 22.6324 -9.69178 20.8989 -9.6918 18.7352 -46.5913 20.899 -46.5913 17.3507 GPRESSAVG: 1673600 22.1464 -11.7456 20.6496 -7.93659 19.2901 -46.6438 20.8135 -45.9991 17.0367 TIMING: 1673600 CPU: 5359.78, 0.00315512/step Wall: 5359.78, 0.00315512/step, 2.91533 hours remaining, 232.203125 MB of memory in use. ENERGY: 1673600 4035.9860 20656.6062 14585.9636 236.9122 -203353.5198 2396.1711 0.0000 0.0000 52139.5473 -109302.3333 299.6467 -161441.8806 -108944.0940 299.5333 -330.9927 -302.4260 761268.6958 19.5728 19.4911 PRESSURE: 1673800 -267.621 -93.5104 275.519 -93.5105 -40.799 143.396 275.52 143.396 -368.879 GPRESSURE: 1673800 -250.75 -182.815 228.064 -117.447 -7.00545 226.96 230.026 146.832 -334.866 PRESSAVG: 1673800 36.6744 -43.2877 16.3743 -43.2877 -55.5225 -56.6332 16.3743 -56.6332 -7.62413 GPRESSAVG: 1673800 37.1163 -42.7322 16.225 -43.0974 -56.1925 -54.4641 16.6566 -58.208 -7.51769 TIMING: 1673800 CPU: 5360.41, 0.00313508/step Wall: 5360.41, 0.00313508/step, 2.89664 hours remaining, 232.203125 MB of memory in use. ENERGY: 1673800 4026.7449 20720.9827 14554.3014 233.6676 -203355.3556 2452.8305 0.0000 0.0000 51925.5386 -109441.2899 298.4168 -161366.8285 -109074.9348 299.7883 -225.7666 -197.5407 763128.7509 -8.8241 -8.8646 PRESSURE: 1674000 -127.88 -177.773 -72.8219 -177.772 -269.146 -6.93305 -72.8217 -6.93416 -160.269 GPRESSURE: 1674000 -73.9712 -127.451 -46.706 -153.432 -259.912 67.3228 -121.247 31.227 -154.123 PRESSAVG: 1674000 18.1234 -49.7976 -53.4293 -49.7975 -8.76919 -1.27614 -53.4292 -1.27612 1.80219 GPRESSAVG: 1674000 17.236 -50.5888 -50.5595 -51.5524 -8.92956 -2.8396 -56.3157 1.92029 3.16601 TIMING: 1674000 CPU: 5361.04, 0.00314244/step Wall: 5361.04, 0.00314244/step, 2.90326 hours remaining, 232.203125 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: 1674000 4057.4129 20478.6862 14659.9297 258.4882 -203477.7266 2511.2400 0.0000 0.0000 52137.7325 -109374.2371 299.6363 -161511.9696 -109007.2632 299.8568 -185.7652 -162.6686 759807.9995 3.7188 3.8241 PRESSURE: 1674200 -426.6 173.495 115.837 173.495 154.033 -68.6361 115.837 -68.6373 -111.393 GPRESSURE: 1674200 -443.956 51.4628 104.723 125.687 218.603 -92.6007 104.459 2.58011 -75.7776 PRESSAVG: 1674200 -18.9625 -36.3576 42.3034 -36.3576 15.8324 4.2781 42.3034 4.27816 3.06464 GPRESSAVG: 1674200 -19.1574 -37.4804 38.7527 -34.4641 16.3956 2.52398 46.1754 6.39166 2.48511 TIMING: 1674200 CPU: 5361.67, 0.0031524/step Wall: 5361.67, 0.0031524/step, 2.91229 hours remaining, 232.203125 MB of memory in use. ENERGY: 1674200 4011.6611 20473.0894 14609.8635 258.2736 -203023.0601 2313.0374 0.0000 0.0000 52080.4782 -109276.6569 299.3072 -161357.1351 -108902.4780 299.9084 -127.9867 -100.3769 760310.9819 -0.0218 -0.0922 PRESSURE: 1674400 -390.069 18.1941 226.273 18.1945 -543.367 68.9832 226.273 68.9838 -165.525 GPRESSURE: 1674400 -354.716 -22.7274 280.91 -57.161 -437.712 -7.21344 110.943 146.932 -211.251 PRESSAVG: 1674400 15.7384 -27.115 10.3478 -27.115 -12.7612 -21.5279 10.3478 -21.5278 20.6353 GPRESSAVG: 1674400 14.8228 -25.2779 12.2514 -30.3261 -12.3349 -20.9289 8.24893 -23.4773 21.4553 TIMING: 1674400 CPU: 5362.3, 0.00318057/step Wall: 5362.3, 0.00318057/step, 2.93814 hours remaining, 232.203125 MB of memory in use. ENERGY: 1674400 4043.5236 20392.3642 14609.9876 259.5165 -203227.2731 2219.1346 0.0000 0.0000 52189.4481 -109513.2985 299.9335 -161702.7466 -109144.5664 299.9875 -366.3203 -334.5596 760958.1905 7.8708 7.9811 PRESSURE: 1674600 -60.9128 61.8614 57.8636 61.8618 -369.972 -112.119 57.8648 -112.118 -218.143 GPRESSURE: 1674600 17.6584 185.241 -41.9508 45.5788 -407.292 -82.009 22.3286 -128.87 -164.125 PRESSAVG: 1674600 23.1939 -10.2523 18.3649 -10.2523 -15.3423 -26.1714 18.3649 -26.1714 -18.9926 GPRESSAVG: 1674600 23.6991 -10.6525 17.5439 -8.11792 -17.2789 -25.1637 19.4319 -29.2372 -17.7663 TIMING: 1674600 CPU: 5362.93, 0.00315577/step Wall: 5362.93, 0.00315577/step, 2.91505 hours remaining, 232.203125 MB of memory in use. ENERGY: 1674600 3897.9718 20446.4483 14498.1520 243.6572 -203415.0096 2535.2483 0.0000 0.0000 52279.7009 -109513.8311 300.4522 -161793.5320 -109139.4216 299.1191 -216.3425 -184.5863 760022.3591 -3.7137 -3.7820 PRESSURE: 1674800 99.2926 125.268 -71.488 125.268 161.988 110.213 -71.4883 110.213 42.5858 GPRESSURE: 1674800 104.84 166.433 -64.8912 55.3253 233.468 170.561 -83.2065 -11.1619 53.3459 PRESSAVG: 1674800 56.0776 -15.4774 -32.9743 -15.4774 -76.418 0.885246 -32.9743 0.885234 12.3275 GPRESSAVG: 1674800 56.6151 -15.828 -32.9696 -17.0979 -75.1976 0.122406 -33.7489 3.13354 10.7469 TIMING: 1674800 CPU: 5363.56, 0.00314358/step Wall: 5363.56, 0.00314358/step, 2.90362 hours remaining, 232.203125 MB of memory in use. ENERGY: 1674800 3994.5937 20575.2375 14511.4876 233.2188 -203594.8963 2624.3240 0.0000 0.0000 52077.6412 -109578.3936 299.2909 -161656.0347 -109223.8683 299.8589 101.2887 130.5513 759724.3982 -2.6710 -2.6118 PRESSURE: 1675000 -15.2239 -60.2559 -254.615 -60.2559 168.516 95.2682 -254.615 95.2681 118.539 GPRESSURE: 1675000 139.536 -94.7408 -293.2 -7.04244 104.076 85.7548 -161.839 158.11 113.932 PRESSAVG: 1675000 21.8656 46.3353 13.4402 46.3353 -46.7269 17.6013 13.4402 17.6014 23.7609 GPRESSAVG: 1675000 21.2017 46.1561 13.3758 48.4015 -46.3241 17.2553 12.5461 18.2521 23.1374 TIMING: 1675000 CPU: 5364.19, 0.00314662/step Wall: 5364.19, 0.00314662/step, 2.90625 hours remaining, 232.203125 MB of memory in use. ENERGY: 1675000 3935.6394 20488.4816 14550.1500 236.5575 -203382.1090 2531.3636 0.0000 0.0000 51825.8598 -109814.0570 297.8439 -161639.9168 -109454.4673 298.9167 90.6104 119.1811 760598.4463 -0.3668 -0.6617 PRESSURE: 1675200 214.261 34.9429 -77.3597 34.9433 -131.113 -11.289 -77.3587 -11.2889 -408.94 GPRESSURE: 1675200 227.136 -36.0205 -127.797 52.2485 -97.0042 -28.0297 -56.1503 -132.895 -350.755 PRESSAVG: 1675200 53.8317 -38.0231 40.4617 -38.023 -41.3341 -26.9803 40.4617 -26.9803 7.0066 GPRESSAVG: 1675200 53.0981 -35.214 39.6723 -41.0113 -41.0415 -26.9308 39.9241 -26.9856 7.29151 TIMING: 1675200 CPU: 5364.82, 0.00314698/step Wall: 5364.82, 0.00314698/step, 2.90641 hours remaining, 232.203125 MB of memory in use. ENERGY: 1675200 3994.0902 20478.6350 14575.1704 259.4138 -203488.9799 2543.8264 0.0000 0.0000 51944.1923 -109693.6518 298.5240 -161637.8441 -109334.2895 298.4547 -108.5972 -73.5409 760321.3143 6.5014 6.4494 PRESSURE: 1675400 -74.5098 -119.815 -24.7609 -119.816 -143.595 115.885 -24.7598 115.885 -332.07 GPRESSURE: 1675400 -70.6161 -155.777 37.016 -59.2389 -52.7556 123.452 45.0227 114.333 -320.251 PRESSAVG: 1675400 77.6192 34.4835 -0.818981 34.4836 -49.2826 12.4665 -0.818961 12.4665 -2.97369 GPRESSAVG: 1675400 78.0431 32.1258 1.3306 37.1627 -50.3368 12.3195 1.90255 11.7391 -2.40231 TIMING: 1675400 CPU: 5365.45, 0.00316013/step Wall: 5365.45, 0.00316013/step, 2.91838 hours remaining, 232.203125 MB of memory in use. ENERGY: 1675400 4029.6742 20455.3836 14463.6491 248.5360 -203762.3437 2779.0772 0.0000 0.0000 52191.3429 -109594.6806 299.9444 -161786.0235 -109233.0228 299.1409 -183.3918 -147.8742 760680.1618 8.4543 8.4347 PRESSURE: 1675600 102.649 -190.096 -94.8313 -190.096 114.203 110.938 -94.8321 110.937 427.824 GPRESSURE: 1675600 192.492 -218.462 -178.288 -128.218 91.2544 35.3793 -45.0908 113.383 450.065 PRESSAVG: 1675600 78.6977 -31.5125 59.583 -31.5125 -53.0313 8.39554 59.583 8.39552 -3.7782 GPRESSAVG: 1675600 78.2006 -32.3439 56.9549 -30.7101 -52.179 8.29317 59.0541 9.66073 -4.73595 TIMING: 1675600 CPU: 5366.08, 0.00314793/step Wall: 5366.08, 0.00314793/step, 2.90693 hours remaining, 232.203125 MB of memory in use. ENERGY: 1675600 3974.8198 20471.5463 14525.7610 259.1539 -203219.4695 2489.2406 0.0000 0.0000 51744.6970 -109754.2508 297.3775 -161498.9478 -109389.4794 298.4825 214.8918 244.6037 760724.5476 7.2960 7.0952 PRESSURE: 1675800 -63.9119 -209.987 -18.329 -209.987 -66.4484 -268.219 -18.3293 -268.217 128.464 GPRESSURE: 1675800 125.916 -111.63 -29.0963 -226.272 -110.683 -267.459 28.8548 -374.113 84.8188 PRESSAVG: 1675800 79.25 -39.1783 20.6203 -39.1783 -67.4645 -20.3696 20.6202 -20.3697 3.99052 GPRESSAVG: 1675800 79.5855 -38.088 20.4573 -39.6458 -68.1617 -18.6622 19.5873 -22.1294 4.91854 TIMING: 1675800 CPU: 5366.71, 0.00316224/step Wall: 5366.71, 0.00316223/step, 2.91997 hours remaining, 232.203125 MB of memory in use. ENERGY: 1675800 3840.8616 20435.1674 14476.6479 265.2997 -203381.2034 2326.4168 0.0000 0.0000 52141.1087 -109895.7012 299.6557 -162036.8099 -109529.0335 298.1959 -0.6321 33.3506 760500.2202 5.2587 5.4475 PRESSURE: 1676000 18.9247 132.371 157.996 132.372 -128.845 -236.362 157.997 -236.361 -35.9203 GPRESSURE: 1676000 7.1866 63.8555 110.824 115.404 -36.8597 -212.469 280.408 -133.176 -12.6396 PRESSAVG: 1676000 78.0934 -18.6676 37.3668 -18.6676 -127.287 -12.2617 37.3668 -12.2617 1.44279 GPRESSAVG: 1676000 77.4044 -20.8277 37.7902 -18.4524 -125.529 -13.3554 36.7538 -12.3929 -0.506069 TIMING: 1676000 CPU: 5367.34, 0.00313401/step Wall: 5367.34, 0.00313401/step, 2.89374 hours remaining, 232.203125 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: 1676000 4013.3453 20499.9938 14565.9139 239.4534 -203397.6233 2469.1285 0.0000 0.0000 51880.6009 -109729.1874 298.1585 -161609.7883 -109369.1979 299.1512 -48.6137 -14.1042 759912.1395 -15.9170 -16.2103 PRESSURE: 1676200 75.7821 223.04 47.5854 223.04 4.07552 -53.5654 47.5847 -53.5648 -668.955 GPRESSURE: 1676200 89.6951 132.124 151.796 182.766 24.0075 -43.5233 -26.866 -47.5537 -627.457 PRESSAVG: 1676200 42.0691 -38.1516 27.55 -38.1515 -72.043 -21.1851 27.5499 -21.1851 24.6302 GPRESSAVG: 1676200 42.7812 -37.7137 27.5776 -39.4495 -73.5207 -21.3312 28.595 -18.5546 25.7078 TIMING: 1676200 CPU: 5367.97, 0.00313367/step Wall: 5367.97, 0.00313367/step, 2.89325 hours remaining, 232.203125 MB of memory in use. ENERGY: 1676200 4038.1926 20415.7656 14561.9068 224.9060 -203811.8518 2690.7035 0.0000 0.0000 52083.9530 -109796.4243 299.3272 -161880.3773 -109446.1239 298.2077 -196.3657 -171.2513 761610.5592 -1.7813 -1.6772 LDB: ============= START OF LOAD BALANCING ============== 5380.39 LDB: ============== END OF LOAD BALANCING =============== 5380.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5380.4 LDB: ============= START OF LOAD BALANCING ============== 5380.72 LDB: Largest compute 7033 load 0.035579 is 18.2% of average load 0.195411 LDB: Average compute 0.004414 is 2.3% of average load 0.195411 LDB: TIME 5380.72 LOAD: AVG 0.195411 MAX 0.212959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.039 MB LDB: TIME 5380.72 LOAD: AVG 0.195411 MAX 0.212959 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.207 MB LDB: TIME 5380.72 LOAD: AVG 0.195411 MAX 0.212959 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.207 MB LDB: ============== END OF LOAD BALANCING =============== 5380.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5380.73 PRESSURE: 1676400 134.399 55.7713 158.982 55.771 -41.9837 -53.3764 158.983 -53.3772 -104.597 GPRESSURE: 1676400 160.096 112.701 263.513 32.0329 -80.7956 -49.7187 166.088 71.0072 -19.3145 PRESSAVG: 1676400 11.672 -47.3764 -8.81294 -47.3763 -34.7731 -23.4672 -8.81289 -23.4672 -17.8339 GPRESSAVG: 1676400 12.781 -47.8731 -7.56312 -46.2531 -36.1176 -23.0446 -9.37852 -24.3983 -17.7598 TIMING: 1676400 CPU: 5368.62, 0.00326661/step Wall: 5368.62, 0.0032666/step, 3.0158 hours remaining, 231.882812 MB of memory in use. ENERGY: 1676400 4013.5167 20515.4873 14519.9076 254.8772 -203487.6038 2415.5093 0.0000 0.0000 52136.1396 -109632.1660 299.6271 -161768.3056 -109278.2966 299.1185 -4.0603 19.9952 760022.6811 -13.6450 -13.6988 PRESSURE: 1676600 -140.22 -91.7314 -63.7808 -91.7321 -135.031 311.541 -63.7811 311.541 96.0916 GPRESSURE: 1676600 -125.117 4.62709 5.45497 -36.2058 -19.295 233.087 -50.6701 228.984 42.179 PRESSAVG: 1676600 17.3249 -8.43992 -3.24893 -8.43986 12.0158 59.6499 -3.24886 59.6498 3.19054 GPRESSAVG: 1676600 17.1613 -5.32727 -4.77015 -9.53851 12.577 58.9416 -3.41138 58.0016 2.54696 TIMING: 1676600 CPU: 5369.26, 0.00318868/step Wall: 5369.26, 0.00318868/step, 2.94368 hours remaining, 232.414062 MB of memory in use. ENERGY: 1676600 4008.9466 20402.5833 14608.6175 238.7617 -203516.4734 2682.3884 0.0000 0.0000 51919.0705 -109656.1054 298.3796 -161575.1759 -109282.3294 298.8641 -59.7197 -34.0777 761725.1529 10.8437 10.7617 PRESSURE: 1676800 -246.936 130.936 10.0256 130.936 -101.455 -116.605 10.0261 -116.606 -298.044 GPRESSURE: 1676800 -152.255 100.054 -94.7496 35.0642 -90.3984 -112.571 57.7823 -189.833 -314.869 PRESSAVG: 1676800 -17.0024 -9.03035 46.696 -9.03033 35.6741 38.2391 46.696 38.239 10.4135 GPRESSAVG: 1676800 -16.8677 -11.0791 47.981 -9.99139 34.5008 38.2659 46.1247 38.4274 11.1372 TIMING: 1676800 CPU: 5369.89, 0.00317583/step Wall: 5369.89, 0.00317583/step, 2.93165 hours remaining, 232.414062 MB of memory in use. ENERGY: 1676800 3940.4701 20465.9837 14523.1405 226.5437 -203300.2228 2427.2428 0.0000 0.0000 52037.7089 -109679.1330 299.0614 -161716.8420 -109317.3015 299.1090 -215.4783 -185.8409 760451.1068 9.6951 9.5901 PRESSURE: 1677000 326.689 -347.106 69.1982 -347.106 165.382 10.1178 69.1972 10.1165 496.197 GPRESSURE: 1677000 361.854 -189.909 77.9379 -355.895 284.704 73.0749 172.18 -23.189 419.463 PRESSAVG: 1677000 -3.46522 -35.6608 13.4549 -35.6608 4.19392 -38.485 13.455 -38.485 5.32471 GPRESSAVG: 1677000 -3.75755 -36.8451 13.0587 -36.1405 4.73805 -38.3951 13.133 -36.981 4.58678 TIMING: 1677000 CPU: 5370.53, 0.00317141/step Wall: 5370.53, 0.00317141/step, 2.92739 hours remaining, 232.613281 MB of memory in use. ENERGY: 1677000 3861.2901 20443.3580 14539.5661 268.7929 -203630.2504 2699.4209 0.0000 0.0000 52052.9506 -109764.8718 299.1490 -161817.8224 -109401.7013 298.6182 329.4223 355.3405 759307.3121 2.0178 1.8558 PRESSURE: 1677200 -354.945 -15.1898 -241.522 -15.1905 -77.5274 -107.166 -241.522 -107.165 -291.551 GPRESSURE: 1677200 -370.623 35.7574 -192.262 -25.0558 35.9574 -62.9164 -136.832 -25.5589 -296.672 PRESSAVG: 1677200 -4.52844 -36.5809 -14.9208 -36.5808 1.60041 11.6553 -14.9208 11.6553 5.03326 GPRESSAVG: 1677200 -4.68257 -36.8736 -16.0157 -33.8465 1.22259 13.0037 -14.3775 9.89872 6.20482 TIMING: 1677200 CPU: 5371.16, 0.0031704/step Wall: 5371.16, 0.0031704/step, 2.92628 hours remaining, 232.613281 MB of memory in use. ENERGY: 1677200 4023.3739 20594.3371 14557.4527 229.7385 -203166.0214 2210.9080 0.0000 0.0000 51998.3653 -109551.8459 298.8353 -161550.2112 -109189.8052 299.1197 -241.3409 -210.4460 761217.9202 0.7017 0.9149 PRESSURE: 1677400 9.46056 154.49 -126.45 154.49 -442.357 -55.4671 -126.451 -55.467 -66.1513 GPRESSURE: 1677400 -17.3654 76.8471 -125.954 127.033 -284.037 -31.4325 -39.8982 -93.7292 -97.968 PRESSAVG: 1677400 -31.2657 3.68176 36.8988 3.6817 -14.659 12.0744 36.8988 12.0744 -7.20943 GPRESSAVG: 1677400 -32.0984 6.0644 36.7403 0.968602 -14.4217 10.7629 38.8283 12.8612 -6.83665 TIMING: 1677400 CPU: 5371.79, 0.00314878/step Wall: 5371.79, 0.00314878/step, 2.90615 hours remaining, 232.613281 MB of memory in use. ENERGY: 1677400 3998.9618 20491.4406 14535.3276 239.8495 -203271.4688 2458.3171 0.0000 0.0000 52036.1147 -109511.4574 299.0523 -161547.5721 -109155.3314 298.9398 -166.3492 -133.1235 761776.3089 -17.7113 -17.7856 PRESSURE: 1677600 144.852 -7.15332 -274.744 -7.15369 -15.2215 28.1788 -274.744 28.1785 -64.0344 GPRESSURE: 1677600 102.032 -71.2926 -263.339 142.117 -12.5212 30.907 -124.381 5.47029 49.9413 PRESSAVG: 1677600 -39.8594 2.5753 -10.4322 2.57532 11.2256 -37.6071 -10.4323 -37.607 2.03242 GPRESSAVG: 1677600 -40.4653 1.59386 -7.78417 4.75211 11.2895 -34.9847 -12.8872 -39.0624 2.73656 TIMING: 1677600 CPU: 5372.43, 0.00316775/step Wall: 5372.43, 0.00316775/step, 2.92348 hours remaining, 232.613281 MB of memory in use. ENERGY: 1677600 3964.4178 20501.1531 14537.1479 239.6324 -203672.8994 2609.2111 0.0000 0.0000 52264.2116 -109557.1256 300.3631 -161821.3372 -109199.7474 299.1191 21.8654 46.4840 761010.7659 -8.8671 -8.8131 PRESSURE: 1677800 -205.608 -17.3079 42.2668 -17.307 -6.38518 -343.331 42.2667 -343.331 190.519 GPRESSURE: 1677800 -153.136 8.43661 92.5374 60.4186 9.81753 -339.516 18.3204 -350.002 185.789 PRESSAVG: 1677800 -74.0748 25.2855 56.7679 25.2855 49.9673 21.335 56.7679 21.335 -5.96118 GPRESSAVG: 1677800 -73.0834 24.9851 54.8328 24.3988 48.6908 21.0982 55.9088 21.1656 -6.33223 TIMING: 1677800 CPU: 5373.05, 0.00312284/step Wall: 5373.05, 0.00312284/step, 2.88186 hours remaining, 232.613281 MB of memory in use. ENERGY: 1677800 3977.8295 20615.2255 14637.5879 249.8202 -203086.4380 2364.0380 0.0000 0.0000 51959.8543 -109282.0826 298.6140 -161241.9370 -108927.2548 299.7214 -7.1580 14.1570 761944.0974 -10.0229 -10.2416 PRESSURE: 1678000 -261.834 24.7119 -119.572 24.711 -503.576 -158.712 -119.572 -158.713 -85.7097 GPRESSURE: 1678000 -214.559 -57.5313 -202.152 58.1918 -462.098 -112.21 24.3718 -125.343 -109.304 PRESSAVG: 1678000 -11.9738 20.329 6.805 20.329 17.7282 20.5303 6.805 20.5302 11.3179 GPRESSAVG: 1678000 -12.6978 20.0656 5.60785 21.2747 18.4808 18.2993 8.05964 21.6105 11.3217 TIMING: 1678000 CPU: 5373.67, 0.00312138/step Wall: 5373.67, 0.00312138/step, 2.88034 hours remaining, 232.613281 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: 1678000 3963.5379 20580.6324 14581.9310 264.9622 -203048.8387 2433.2343 0.0000 0.0000 51915.7383 -109308.8027 298.3605 -161224.5409 -108951.8191 299.4523 -283.7066 -261.9871 763057.2635 5.6908 5.7015 PRESSURE: 1678200 54.3747 131.198 -243.147 131.198 23.5834 -114.278 -243.147 -114.277 -188.599 GPRESSURE: 1678200 137.434 82.8596 -309.837 180.344 41.9598 -221.916 -142.25 24.2197 -207.684 PRESSAVG: 1678200 -11.0205 -8.93472 -7.44305 -8.93475 -15.751 -28.7425 -7.44304 -28.7425 34.9636 GPRESSAVG: 1678200 -11.5104 -10.8351 -6.69198 -9.71458 -15.3346 -28.1819 -9.08006 -29.2655 35.5094 TIMING: 1678200 CPU: 5374.3, 0.0031453/step Wall: 5374.3, 0.0031453/step, 2.90224 hours remaining, 232.613281 MB of memory in use. ENERGY: 1678200 3939.2015 20576.3138 14546.0379 244.7343 -203070.6829 2572.5220 0.0000 0.0000 51967.9192 -109223.9544 298.6603 -161191.8736 -108862.1806 299.2027 -36.8804 -9.4303 762608.2539 2.7307 2.8882 PRESSURE: 1678400 31.8422 -7.20908 277.563 -7.20913 22.5203 -139.487 277.563 -139.489 -49.7618 GPRESSURE: 1678400 45.7352 -18.7661 359 -33.317 -0.816034 -152.222 253.953 -110.14 29.4401 PRESSAVG: 1678400 8.95498 61.4281 7.69286 61.4282 3.07566 1.28754 7.69289 1.28748 -11.4082 GPRESSAVG: 1678400 10.4655 62.4618 8.24126 60.5576 2.35772 1.73892 10.4666 2.76907 -12.0661 TIMING: 1678400 CPU: 5374.93, 0.0031486/step Wall: 5374.93, 0.0031486/step, 2.90511 hours remaining, 232.613281 MB of memory in use. ENERGY: 1678400 3975.0378 20513.8174 14572.7818 260.4765 -203125.5610 2488.2755 0.0000 0.0000 52092.7880 -109222.3840 299.3780 -161315.1720 -108851.7520 299.5949 1.5336 24.7864 761374.2340 0.2075 0.2524 PRESSURE: 1678600 19.9475 13.2935 53.1224 13.2946 -85.705 -152.046 53.1226 -152.048 161.472 GPRESSURE: 1678600 91.1707 -40.3274 -31.103 145.32 -100.93 -78.6995 162.167 -218.157 189.649 PRESSAVG: 1678600 -8.93214 7.71317 58.8283 7.71316 22.4576 58.2338 58.8284 58.2337 -24.9248 GPRESSAVG: 1678600 -9.56947 7.96691 59.0583 9.82261 24.0508 56.7928 58.3986 59.5108 -26.5592 TIMING: 1678600 CPU: 5375.57, 0.00317224/step Wall: 5375.57, 0.00317224/step, 2.92675 hours remaining, 232.613281 MB of memory in use. ENERGY: 1678600 3914.1206 20571.1078 14535.8471 283.0591 -203034.9196 2528.3535 0.0000 0.0000 52176.6403 -109025.7912 299.8599 -161202.4315 -108673.0642 300.0948 31.9050 59.9633 762260.9719 -3.7998 -4.0259 PRESSURE: 1678800 350.019 77.0143 28.3803 77.0145 163.987 55.8351 28.3809 55.8361 -161.68 GPRESSURE: 1678800 405.416 31.2051 104.472 140.444 163.496 128.192 68.5087 2.48142 -125.727 PRESSAVG: 1678800 10.0644 14.9417 -44.557 14.9417 28.4444 -19.165 -44.557 -19.1649 -0.0630147 GPRESSAVG: 1678800 10.5524 14.1393 -45.1056 11.471 27.4178 -18.6951 -44.884 -22.1146 0.345833 TIMING: 1678800 CPU: 5376.2, 0.00315828/step Wall: 5376.2, 0.00315828/step, 2.91369 hours remaining, 232.613281 MB of memory in use. ENERGY: 1678800 4039.1490 20426.7702 14557.8264 243.3529 -203248.9366 2735.0814 0.0000 0.0000 52263.2905 -108983.4663 300.3578 -161246.7568 -108621.3909 300.1127 117.4418 147.7284 762582.7584 12.8152 12.7720 PRESSURE: 1679000 56.0854 40.6951 14.476 40.6949 -145.336 -7.89796 14.477 -7.89871 25.0175 GPRESSURE: 1679000 115.295 35.7904 -63.208 12.7587 -100.058 -66.7541 158.868 25.1856 11.1455 PRESSAVG: 1679000 21.3582 19.3944 -21.852 19.3943 -49.4541 -37.2298 -21.8521 -37.2298 15.4365 GPRESSAVG: 1679000 19.9224 21.2276 -22.6759 21.9492 -48.7058 -37.5514 -20.8793 -34.9564 15.9717 TIMING: 1679000 CPU: 5376.83, 0.00315193/step Wall: 5376.83, 0.00315193/step, 2.90766 hours remaining, 232.613281 MB of memory in use. ENERGY: 1679000 4004.6228 20456.5545 14483.9533 276.8714 -202772.9787 2367.0055 0.0000 0.0000 52391.8297 -108792.1415 301.0966 -161183.9712 -108434.2230 300.2439 -21.4110 8.7942 761892.0020 -4.2198 -4.2705 PRESSURE: 1679200 -199.189 -198.033 209.686 -198.032 -0.474713 28.9979 209.686 28.9978 77.4374 GPRESSURE: 1679200 -175.501 -108.734 168.215 -304.48 -6.9149 0.579181 151.911 144.836 135.757 PRESSAVG: 1679200 5.32094 -28.4686 69.6695 -28.4685 -21.5887 -40.2573 69.6695 -40.2573 -23.5982 GPRESSAVG: 1679200 4.80208 -29.0331 68.53 -30.8065 -22.8206 -40.4694 69.0448 -39.6654 -22.2218 TIMING: 1679200 CPU: 5377.46, 0.00312889/step Wall: 5377.46, 0.00312889/step, 2.88623 hours remaining, 232.613281 MB of memory in use. ENERGY: 1679200 3924.6523 20599.5541 14526.3805 232.3612 -202931.2657 2426.4895 0.0000 0.0000 52412.5725 -108809.2556 301.2158 -161221.8281 -108437.4383 300.4562 -40.7419 -15.5529 761569.0227 -13.2886 -13.4134 PRESSURE: 1679400 116.225 175.062 -177.109 175.062 -63.2568 72.05 -177.109 72.0494 -293.599 GPRESSURE: 1679400 55.5917 125.999 -163.617 80.5018 31.5596 46.2958 -117.309 175.173 -234.379 PRESSAVG: 1679400 -3.99259 -5.32174 34.5851 -5.32172 0.984847 -35.1369 34.5851 -35.1369 -16.986 GPRESSAVG: 1679400 -3.50992 -6.60379 36.5912 -4.30243 1.60468 -37.145 33.4298 -35.8235 -17.8958 TIMING: 1679400 CPU: 5378.08, 0.00314129/step Wall: 5378.08, 0.00314129/step, 2.89749 hours remaining, 232.613281 MB of memory in use. ENERGY: 1679400 4064.2778 20442.0734 14515.4376 240.6002 -202870.9682 2533.5388 0.0000 0.0000 52165.8705 -108909.1698 299.7980 -161075.0403 -108549.5648 300.3928 -80.2103 -49.0758 760925.0920 -6.6646 -6.6003 PRESSURE: 1679600 183.614 101.691 352.274 101.69 44.3897 -77.9518 352.273 -77.9519 -47.2715 GPRESSURE: 1679600 178.666 23.6734 282.46 166.112 104.212 -56.1505 284.954 -112.354 -20.4862 PRESSAVG: 1679600 10.0667 -58.2997 35.297 -58.2997 6.63584 -10.8782 35.2971 -10.8782 4.64813 GPRESSAVG: 1679600 11.05 -57.9955 34.987 -57.6728 5.49881 -8.15904 36.3906 -11.5861 4.96745 TIMING: 1679600 CPU: 5378.71, 0.00314772/step Wall: 5378.71, 0.00314772/step, 2.90324 hours remaining, 232.613281 MB of memory in use. ENERGY: 1679600 3973.1698 20619.6050 14559.2588 254.6380 -202953.1244 2573.7502 0.0000 0.0000 51879.0352 -109093.6674 298.1495 -160972.7026 -108725.3100 300.5738 60.2441 87.4638 759958.6500 7.1169 7.1721 PRESSURE: 1679800 1.8486 -191.183 62.1306 -191.183 383.609 -8.4384 62.1296 -8.43754 56.0513 GPRESSURE: 1679800 109.14 -33.8326 34.9006 -211.025 407.196 -93.6294 61.3985 16.1628 -9.36662 PRESSAVG: 1679800 52.583 16.6501 99.8924 16.65 -12.3595 0.259137 99.8924 0.259096 20.3189 GPRESSAVG: 1679800 52.3523 16.8421 100.122 16.7726 -11.9799 -1.14055 99.1911 1.9008 19.7626 TIMING: 1679800 CPU: 5379.35, 0.00316723/step Wall: 5379.35, 0.00316723/step, 2.92107 hours remaining, 232.613281 MB of memory in use. ENERGY: 1679800 3890.2990 20724.6755 14572.5098 230.1272 -203125.2609 2496.2088 0.0000 0.0000 52046.4502 -109164.9905 299.1117 -161211.4407 -108801.7647 299.8910 147.1695 168.9898 759648.5494 20.1808 20.0450 PRESSURE: 1680000 -200.15 -200.49 -19.9458 -200.49 59.8678 -44.1614 -19.9461 -44.1618 -23.9568 GPRESSURE: 1680000 -65.1671 -139.343 26.6293 -104.02 -17.7201 48.2198 -34.0792 28.431 3.37734 PRESSAVG: 1680000 -6.37969 -4.03796 86.5082 -4.03792 1.08143 -27.5757 86.5083 -27.5757 8.06262 GPRESSAVG: 1680000 -5.59501 -5.07086 87.3905 -3.80642 1.43439 -27.4354 87.9421 -26.8577 7.37064 TIMING: 1680000 CPU: 5379.98, 0.00317101/step Wall: 5379.98, 0.00317101/step, 2.92437 hours remaining, 232.613281 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: 1680000 4017.1505 20581.1239 14544.9147 240.5954 -203229.3826 2442.2058 0.0000 0.0000 52115.2545 -109288.1378 299.5071 -161403.3923 -108923.7281 299.4089 -54.7464 -26.5033 761888.5520 0.9215 1.0700 PRESSURE: 1680200 -197.295 4.5954 238.16 4.59551 -162.46 66.4412 238.159 66.441 -63.3141 GPRESSURE: 1680200 -152.38 80.7738 252.184 23.1024 -115.571 91.3242 243.946 153.426 -74.6214 PRESSAVG: 1680200 21.8956 -1.33975 55.1428 -1.33975 -1.84028 -1.23953 55.1428 -1.23944 32.01 GPRESSAVG: 1680200 20.9966 1.37541 55.663 -3.13708 -2.20806 -1.63811 52.4226 -3.07507 33.2895 TIMING: 1680200 CPU: 5380.62, 0.00316999/step Wall: 5380.62, 0.00316999/step, 2.92326 hours remaining, 232.613281 MB of memory in use. ENERGY: 1680200 4024.5256 20549.9675 14556.0857 242.2064 -203130.9046 2455.3761 0.0000 0.0000 52086.7488 -109215.9946 299.3433 -161302.7434 -108851.6200 299.5797 -141.0232 -114.1906 762935.9402 17.3551 17.3593 LDB: ============= START OF LOAD BALANCING ============== 5393.04 LDB: ============== END OF LOAD BALANCING =============== 5393.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5393.04 LDB: ============= START OF LOAD BALANCING ============== 5393.36 LDB: Largest compute 7031 load 0.034138 is 17.5% of average load 0.195392 LDB: Average compute 0.004414 is 2.3% of average load 0.195392 LDB: TIME 5393.37 LOAD: AVG 0.195392 MAX 0.213767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.695 MB LDB: TIME 5393.37 LOAD: AVG 0.195392 MAX 0.213767 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.699 MB LDB: TIME 5393.37 LOAD: AVG 0.195392 MAX 0.213767 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.699 MB LDB: ============== END OF LOAD BALANCING =============== 5393.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5393.37 PRESSURE: 1680400 301.31 -97.442 22.8404 -97.4416 95.3064 135.297 22.8394 135.296 -123.693 GPRESSURE: 1680400 308.013 -42.2292 22.4959 -88.5239 193.908 212.522 -74.4024 112.128 -166.253 PRESSAVG: 1680400 -2.52249 6.03238 19.9661 6.03235 -60.7706 8.58915 19.9661 8.58915 -9.09756 GPRESSAVG: 1680400 -1.31662 4.66275 18.2934 8.49597 -61.2958 10.8673 19.7937 7.27794 -9.61793 TIMING: 1680400 CPU: 5381.27, 0.00325981/step Wall: 5381.27, 0.00325981/step, 3.0059 hours remaining, 230.597656 MB of memory in use. ENERGY: 1680400 3975.5357 20513.8430 14575.8702 246.1444 -203624.3548 2703.0868 0.0000 0.0000 52292.3163 -109317.5585 300.5247 -161609.8748 -108960.7031 299.3678 90.9745 111.8894 763005.2214 -24.1302 -24.0768 PRESSURE: 1680600 45.3669 -71.2579 2.42778 -71.2582 143.461 -125.652 2.42767 -125.652 172.619 GPRESSURE: 1680600 63.4022 79.3463 2.6465 -92.745 203.861 -175.534 18.3446 -233.012 170.306 PRESSAVG: 1680600 -2.07706 -69.6122 58.6389 -69.6122 37.1457 38.6992 58.639 38.6992 -10.0572 GPRESSAVG: 1680600 -2.12795 -69.2965 59.1047 -71.132 37.6273 37.334 59.708 40.0524 -10.5705 TIMING: 1680600 CPU: 5381.9, 0.00316366/step Wall: 5381.9, 0.00316366/step, 2.91707 hours remaining, 230.597656 MB of memory in use. ENERGY: 1680600 3964.2112 20359.4991 14541.0355 240.5290 -203219.0594 2594.8968 0.0000 0.0000 52316.7065 -109202.1815 300.6648 -161518.8879 -108835.0481 299.5890 120.4822 145.8562 761465.8450 8.3371 8.3096 PRESSURE: 1680800 -127.797 86.0507 -56.9914 86.0499 -74.7699 -5.12806 -56.9907 -5.1279 -250.492 GPRESSURE: 1680800 -90.652 -19.7486 -100.471 36.5619 -12.1494 15.2421 20.9071 -169.34 -248.138 PRESSAVG: 1680800 19.6825 -15.6338 -13.1456 -15.6337 -45.7157 7.87467 -13.1456 7.87465 -4.12156 GPRESSAVG: 1680800 17.5472 -15.383 -12.1849 -14.728 -43.1774 9.50206 -13.5508 8.24908 -4.20212 TIMING: 1680800 CPU: 5382.53, 0.00315709/step Wall: 5382.53, 0.00315709/step, 2.91083 hours remaining, 230.597656 MB of memory in use. ENERGY: 1680800 3983.7049 20577.5685 14590.7469 232.5095 -202906.3461 2190.6714 0.0000 0.0000 52158.2247 -109172.9202 299.7540 -161331.1449 -108799.5657 299.6681 -151.0199 -116.9799 761070.8645 -10.0516 -9.9441 PRESSURE: 1681000 553.211 175.184 133.424 175.185 -487.521 -35.1167 133.424 -35.1168 188.192 GPRESSURE: 1681000 482.484 167.398 57.1502 151.503 -343.863 -95.6989 20.0828 -27.9827 199.987 PRESSAVG: 1681000 16.3279 -39.436 2.14784 -39.436 -38.1964 -7.87051 2.14785 -7.87048 7.48773 GPRESSAVG: 1681000 17.698 -40.8784 1.12953 -40.1365 -38.7973 -7.66558 0.275603 -8.59661 6.97363 TIMING: 1681000 CPU: 5383.16, 0.00315781/step Wall: 5383.16, 0.00315781/step, 2.91132 hours remaining, 230.597656 MB of memory in use. ENERGY: 1681000 3978.7208 20466.6867 14555.6410 242.4978 -203222.8884 2627.3243 0.0000 0.0000 52102.1605 -109249.8573 299.4318 -161352.0178 -108880.1611 299.4480 84.6274 112.8693 760662.2735 -4.7936 -4.7086 PRESSURE: 1681200 -429.067 90.1885 129.379 90.1894 -163.792 38.9433 129.379 38.9442 65.8738 GPRESSURE: 1681200 -436.614 3.65919 190.496 115.396 -91.6912 80.3424 165.479 38.4702 76.9767 PRESSAVG: 1681200 -0.258135 15.6986 2.24353 15.6986 25.4906 -14.2176 2.24353 -14.2175 30.8405 GPRESSAVG: 1681200 -0.377076 15.5173 2.83061 16.6431 24.2354 -13.53 4.45451 -15.5114 32.2212 TIMING: 1681200 CPU: 5383.79, 0.00315241/step Wall: 5383.79, 0.00315241/step, 2.90618 hours remaining, 230.597656 MB of memory in use. ENERGY: 1681200 4021.8499 20555.7099 14515.0640 239.8094 -203044.5495 2308.4306 0.0000 0.0000 52166.8362 -109236.8495 299.8035 -161403.6856 -108875.0327 299.2191 -175.6616 -150.4427 762999.6596 18.6910 18.6932 PRESSURE: 1681400 230.637 -112.528 -41.106 -112.528 174.715 -60.1448 -41.1067 -60.1449 -78.9874 GPRESSURE: 1681400 221.9 -83.3307 -100.07 -184.176 226.716 -56.0867 -37.1564 -55.2427 -18.5279 PRESSAVG: 1681400 48.1992 45.1365 12.5287 45.1365 -31.5612 -11.1912 12.5287 -11.1912 -0.295139 GPRESSAVG: 1681400 47.8881 45.8255 10.7014 43.616 -30.4209 -12.0064 10.2462 -7.91377 -1.28644 TIMING: 1681400 CPU: 5384.42, 0.00314615/step Wall: 5384.42, 0.00314615/step, 2.90022 hours remaining, 230.597656 MB of memory in use. ENERGY: 1681400 3927.6361 20441.4391 14549.2833 260.7603 -203290.0751 2823.1781 0.0000 0.0000 51844.8423 -109442.9360 297.9530 -161287.7783 -109071.8287 299.0466 108.7879 143.3627 761541.1557 5.4476 5.3936 PRESSURE: 1681600 92.5972 10.6195 -94.4526 10.6202 -244.998 146.634 -94.4525 146.634 149.251 GPRESSURE: 1681600 94.7016 9.35415 -116.121 15.7238 -222.788 94.6351 40.7063 -37.6987 211.78 PRESSAVG: 1681600 21.0448 -3.77105 10.0826 -3.771 -13.9627 24.8883 10.0826 24.8884 -9.12237 GPRESSAVG: 1681600 20.6338 -3.19166 11.1516 -3.87091 -14.4641 24.5706 12.1271 21.8593 -8.34236 TIMING: 1681600 CPU: 5385.05, 0.00315413/step Wall: 5385.05, 0.00315413/step, 2.9074 hours remaining, 230.597656 MB of memory in use. ENERGY: 1681600 3924.5604 20659.7759 14567.9482 245.0803 -202896.0175 2249.0655 0.0000 0.0000 51754.5446 -109495.0425 297.4341 -161249.5872 -109133.2566 298.7761 -1.0499 27.8980 762600.1176 -0.6801 -0.7242 PRESSURE: 1681800 -231.328 -104.773 156.266 -104.774 -34.9042 181.044 156.267 181.044 227.759 GPRESSURE: 1681800 -55.7302 -18.0358 121.01 -113.767 -92.3072 204.116 220.825 111.299 196.779 PRESSAVG: 1681800 -20.6518 1.34085 16.1836 1.34089 31.3646 44.1486 16.1836 44.1486 -22.3044 GPRESSAVG: 1681800 -19.7169 0.953505 16.5445 3.51982 31.3761 44.677 15.0273 44.2373 -22.5615 TIMING: 1681800 CPU: 5385.69, 0.00318991/step Wall: 5385.69, 0.00318991/step, 2.94021 hours remaining, 230.597656 MB of memory in use. ENERGY: 1681800 4022.8583 20502.6590 14512.3216 258.0456 -203250.3823 2530.5605 0.0000 0.0000 52153.1771 -109270.7602 299.7250 -161423.9373 -108917.3956 298.9819 -12.8243 16.2473 760415.2230 -3.8639 -3.6341 PRESSURE: 1682000 -109.519 158.942 247.748 158.942 -23.6251 -73.9538 247.748 -73.9554 66.681 GPRESSURE: 1682000 2.28751 87.605 102.185 163.354 -69.9136 -4.76003 192.473 -128.726 94.7963 PRESSAVG: 1682000 -20.7114 -47.397 80.454 -47.3971 16.6865 36.9135 80.4541 36.9135 9.70873 GPRESSAVG: 1682000 -20.3818 -50.0926 81.4027 -45.9883 15.7609 37.2651 80.6264 40.1941 10.2101 TIMING: 1682000 CPU: 5386.33, 0.0032006/step Wall: 5386.33, 0.0032006/step, 2.94989 hours remaining, 230.597656 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: 1682000 3962.1755 20425.3638 14488.1428 245.4158 -203092.8476 2567.8714 0.0000 0.0000 52027.7701 -109376.1082 299.0043 -161403.8783 -109005.0382 299.3135 -22.1542 9.0567 762493.3198 1.8946 1.8631 PRESSURE: 1682200 341.974 -263.299 106.762 -263.298 -53.805 59.8313 106.761 59.8314 66.5273 GPRESSURE: 1682200 331.969 -290.248 131.521 -220.541 93.9765 22.3344 176.169 44.3781 20.9963 PRESSAVG: 1682200 66.3968 -6.76455 -4.29386 -6.76457 -54.8209 -10.5763 -4.29385 -10.5762 -8.83904 GPRESSAVG: 1682200 66.5688 -3.1791 -6.20963 -9.90527 -52.9596 -10.8024 -2.40124 -11.5071 -10.582 TIMING: 1682200 CPU: 5386.97, 0.00316844/step Wall: 5386.97, 0.00316844/step, 2.92007 hours remaining, 230.597656 MB of memory in use. ENERGY: 1682200 4004.9312 20612.0464 14455.0279 247.5494 -203632.6200 2722.7110 0.0000 0.0000 52341.1254 -109249.2288 300.8052 -161590.3542 -108878.6246 299.6302 118.2322 148.9806 761699.7481 0.9123 1.0091 PRESSURE: 1682400 -235.468 -21.26 -50.1892 -21.2597 -34.2624 -156.378 -50.1895 -156.377 -3.18584 GPRESSURE: 1682400 -88.6146 0.991587 8.25401 -90.584 -27.4689 -78.9785 115.208 -150.591 -59.4078 PRESSAVG: 1682400 -36.5925 13.6742 32.6317 13.6742 9.78554 -29.4822 32.6317 -29.4822 -7.9888 GPRESSAVG: 1682400 -37.1142 11.5035 33.0202 16.7099 9.908 -29.9864 33.5931 -29.1953 -7.81735 TIMING: 1682400 CPU: 5387.59, 0.00314683/step Wall: 5387.59, 0.00314683/step, 2.89997 hours remaining, 230.597656 MB of memory in use. ENERGY: 1682400 3989.4971 20482.8207 14554.9091 273.0328 -203380.7492 2496.1366 0.0000 0.0000 52186.6874 -109397.6656 299.9176 -161584.3530 -109031.6745 299.7122 -90.9721 -58.4971 762478.1250 -11.5986 -11.6745 PRESSURE: 1682600 -197.761 -108.44 193.952 -108.44 -20.3441 -121.137 193.953 -121.137 404.727 GPRESSURE: 1682600 -7.71238 -52.3073 151.072 -139.422 -95.7478 -46.6733 -3.082 -30.6683 381.901 PRESSAVG: 1682600 14.9031 14.1758 35.9558 14.1758 -36.3075 15.1765 35.9558 15.1766 30.6714 GPRESSAVG: 1682600 15.0311 15.4688 35.6874 12.803 -37.8875 16.4626 33.4736 15.7358 32.7197 TIMING: 1682600 CPU: 5388.23, 0.00315872/step Wall: 5388.23, 0.00315872/step, 2.91076 hours remaining, 230.597656 MB of memory in use. ENERGY: 1682600 3999.9083 20586.1905 14497.9530 225.3061 -203673.0413 2779.8268 0.0000 0.0000 52079.7383 -109504.1182 299.3030 -161583.8565 -109144.9221 299.1744 62.2075 92.8135 762068.6616 3.0890 3.2877 PRESSURE: 1682800 -65.9753 -124.148 35.5514 -124.148 -55.6246 39.1731 35.5512 39.1734 -108.346 GPRESSURE: 1682800 -119.038 -9.60154 73.1416 -151.243 -6.58643 -3.47678 78.1532 7.33222 -24.2603 PRESSAVG: 1682800 20.2597 -26.7672 17.7953 -26.7672 -51.0643 -17.1179 17.7953 -17.118 22.1795 GPRESSAVG: 1682800 22.9655 -27.1921 18.2236 -28.8442 -51.8695 -18.097 18.2044 -17.7333 21.1887 TIMING: 1682800 CPU: 5388.86, 0.00315862/step Wall: 5388.86, 0.00315862/step, 2.91049 hours remaining, 230.597656 MB of memory in use. ENERGY: 1682800 3910.3753 20377.3962 14501.9535 272.5318 -202918.1360 2475.1462 0.0000 0.0000 51723.3668 -109657.3662 297.2549 -161380.7330 -109289.3773 298.6219 -76.6486 -49.9617 761251.9935 -2.8750 -2.5718 PRESSURE: 1683000 -220.735 -107.93 146.691 -107.929 -532.004 -21.1896 146.691 -21.1906 -172.807 GPRESSURE: 1683000 -136.515 -47.5321 102.742 -30.581 -549.031 -8.17934 122.492 38.2081 -151.505 PRESSAVG: 1683000 -9.0697 -40.6295 -41.7195 -40.6294 4.67785 28.5834 -41.7196 28.5833 -3.95102 GPRESSAVG: 1683000 -10.3751 -40.4041 -42.6382 -36.3619 5.86372 27.6966 -40.916 29.1198 -4.46452 TIMING: 1683000 CPU: 5389.5, 0.00323398/step Wall: 5389.5, 0.00323398/step, 2.97975 hours remaining, 230.597656 MB of memory in use. ENERGY: 1683000 3956.8971 20422.9039 14607.2711 232.2672 -202901.7663 2375.3747 0.0000 0.0000 51635.7649 -109671.2875 296.7515 -161307.0524 -109309.4203 298.4821 -308.5151 -279.0171 762178.4636 -2.7810 -2.9920 PRESSURE: 1683200 140.817 -209.96 -134.726 -209.959 -52.3511 230.731 -134.727 230.73 110.565 GPRESSURE: 1683200 169.067 -111.147 -120.165 -126.738 25.0662 214.721 -246.548 125.778 84.517 PRESSAVG: 1683200 6.59021 -41.4429 -18.0134 -41.443 -63.9296 -0.414669 -18.0135 -0.414695 -4.83748 GPRESSAVG: 1683200 6.05424 -41.739 -18.6983 -43.0196 -63.7009 0.420425 -17.1859 -3.42281 -4.44653 TIMING: 1683200 CPU: 5390.14, 0.00318548/step Wall: 5390.14, 0.00318548/step, 2.93489 hours remaining, 230.597656 MB of memory in use. ENERGY: 1683200 4048.0750 20300.3912 14462.2972 250.7875 -203171.3053 2466.7077 0.0000 0.0000 51891.1543 -109751.8925 298.2192 -161643.0468 -109386.2147 298.2609 66.3436 92.8835 759673.2546 -20.7256 -20.6977 PRESSURE: 1683400 -135.879 -255.407 28.8551 -255.407 -357.024 189.671 28.8547 189.672 57.6929 GPRESSURE: 1683400 33.0696 -116.853 93.6681 -302.477 -337.102 214.877 69.7945 142.862 -33.0052 PRESSAVG: 1683400 3.53541 -82.7277 -50.5078 -82.7277 2.04644 72.8048 -50.5077 72.8047 -5.13471 GPRESSAVG: 1683400 3.42952 -81.727 -47.3156 -81.9459 2.23415 73.0457 -53.824 74.4353 -4.77496 TIMING: 1683400 CPU: 5390.78, 0.00317066/step Wall: 5390.78, 0.00317066/step, 2.92106 hours remaining, 230.597656 MB of memory in use. ENERGY: 1683400 4044.1928 20498.2863 14534.1077 256.5572 -203694.0455 2853.0781 0.0000 0.0000 51913.9501 -109593.8734 298.3502 -161507.8235 -109238.4378 298.5894 -145.0703 -112.3459 760985.7826 0.1490 0.2962 PRESSURE: 1683600 -127.916 -46.347 157.154 -46.3465 -172.007 74.0027 157.155 74.0022 -196.609 GPRESSURE: 1683600 -132.271 -21.0037 140.844 -29.7183 -92.9575 17.457 74.6009 115.032 -171.947 PRESSAVG: 1683600 2.50317 -7.21097 37.3258 -7.21096 -69.532 55.9179 37.3258 55.9178 -0.941957 GPRESSAVG: 1683600 1.42071 -6.70011 36.9009 -10.3871 -68.4636 55.8475 37.3124 58.358 -0.748435 TIMING: 1683600 CPU: 5391.41, 0.00316951/step Wall: 5391.41, 0.00316951/step, 2.91982 hours remaining, 230.597656 MB of memory in use. ENERGY: 1683600 3997.2763 20693.5285 14454.0483 234.9452 -203447.3282 2506.5152 0.0000 0.0000 52085.6889 -109475.3257 299.3372 -161561.0146 -109119.2954 298.7483 -165.5107 -132.3917 761364.1576 -22.6569 -22.5971 PRESSURE: 1683800 -222.282 -80.0701 -61.7303 -80.0695 -8.71029 62.8818 -61.7297 62.8825 -329.449 GPRESSURE: 1683800 -160.918 102.848 -33.2344 -138.474 -23.1043 91.244 -85.5486 21.3453 -288.878 PRESSAVG: 1683800 1.87097 -30.789 32.0275 -30.7889 5.64279 26.9531 32.0275 26.953 -23.5994 GPRESSAVG: 1683800 3.03156 -32.1849 30.9892 -28.2253 5.99254 26.594 32.8915 22.911 -25.2176 TIMING: 1683800 CPU: 5392.05, 0.00318347/step Wall: 5392.05, 0.00318347/step, 2.93251 hours remaining, 230.597656 MB of memory in use. ENERGY: 1683800 4079.6834 20582.8617 14518.9569 229.9947 -202995.9653 2441.9914 0.0000 0.0000 51839.8927 -109302.5845 297.9246 -161142.4772 -108940.7388 299.3264 -186.8140 -157.6334 762153.0420 -5.3619 -5.3978 PRESSURE: 1684000 -229.005 -195.651 456.401 -195.651 138.265 -76.8132 456.4 -76.8123 -155.942 GPRESSURE: 1684000 -217.838 -243.302 367.377 -88.617 185.046 -100.885 454.623 -98.6768 -132.921 PRESSAVG: 1684000 74.3105 -57.9851 7.85499 -57.985 -19.6871 24.2445 7.85503 24.2444 8.73132 GPRESSAVG: 1684000 73.0745 -57.2744 8.76855 -58.4761 -20.2481 25.0049 8.08854 26.9594 10.2003 TIMING: 1684000 CPU: 5392.68, 0.00316362/step Wall: 5392.68, 0.00316362/step, 2.91405 hours remaining, 230.597656 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: 1684000 3943.7482 20460.4667 14493.7669 242.4232 -203191.4659 2533.8871 0.0000 0.0000 52192.2780 -109324.8959 299.9497 -161517.1739 -108953.8492 299.0252 -82.2272 -55.2377 760406.1878 21.1182 21.0089 PRESSURE: 1684200 -46.7342 -181.324 84.1164 -181.323 94.5057 -167.187 84.1161 -167.188 113.703 GPRESSURE: 1684200 -92.8716 -213.172 78.7104 -88.2627 148.505 -168.803 19.8423 -139.423 185.333 PRESSAVG: 1684200 41.2889 21.3588 -5.6312 21.3589 -1.49425 -43.1998 -5.63124 -43.1997 -2.37294 GPRESSAVG: 1684200 41.5799 22.0974 -6.09759 19.8859 -1.95982 -45.2524 -5.95124 -42.3026 -2.24144 TIMING: 1684200 CPU: 5393.31, 0.00316592/step Wall: 5393.31, 0.00316592/step, 2.91599 hours remaining, 230.597656 MB of memory in use. ENERGY: 1684200 4098.9470 20735.1839 14469.6909 230.4395 -203455.8237 2565.7585 0.0000 0.0000 52014.0903 -109341.7137 298.9257 -161355.8039 -108984.9865 299.4413 53.8248 80.3223 760520.3738 12.4739 12.4595 LDB: ============= START OF LOAD BALANCING ============== 5405.74 LDB: ============== END OF LOAD BALANCING =============== 5405.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5405.74 LDB: ============= START OF LOAD BALANCING ============== 5406.05 LDB: Largest compute 7047 load 0.032923 is 16.8% of average load 0.195415 LDB: Average compute 0.004408 is 2.3% of average load 0.195415 LDB: TIME 5406.06 LOAD: AVG 0.195415 MAX 0.214787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.367 MB LDB: TIME 5406.06 LOAD: AVG 0.195415 MAX 0.214787 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: TIME 5406.06 LOAD: AVG 0.195415 MAX 0.214787 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.566 MB LDB: ============== END OF LOAD BALANCING =============== 5406.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5406.06 PRESSURE: 1684400 -170.717 73.0364 -141.657 73.0361 -46.5663 45.2466 -141.657 45.2468 231.267 GPRESSURE: 1684400 -128.309 98.0373 -145.908 136.06 26.4543 42.7734 -155.095 106.649 194.073 PRESSAVG: 1684400 36.7885 -12.8069 -21.1073 -12.8069 -18.9888 13.1446 -21.1072 13.1445 0.112257 GPRESSAVG: 1684400 36.5174 -12.7433 -22.2939 -10.2159 -18.6389 14.3627 -20.5143 11.2184 -0.505356 TIMING: 1684400 CPU: 5393.96, 0.00322756/step Wall: 5393.96, 0.00322756/step, 2.97258 hours remaining, 232.773438 MB of memory in use. ENERGY: 1684400 4005.9124 20690.3250 14512.9011 248.2355 -203097.3918 2268.8290 0.0000 0.0000 52244.0704 -109127.1185 300.2474 -161371.1889 -108766.3236 299.9407 4.6610 30.7393 761463.9090 5.9707 5.7911 PRESSURE: 1684600 367.657 61.0445 -5.32414 61.0449 -123.276 42.0743 -5.32389 42.0732 365.266 GPRESSURE: 1684600 291.777 -60.4324 56.9893 105.38 -75.2035 96.6572 25.4289 54.5142 453.134 PRESSAVG: 1684600 27.3005 -1.63113 -10.5585 -1.63113 13.1785 31.2732 -10.5585 31.2731 11.9742 GPRESSAVG: 1684600 26.5859 -0.624823 -9.32701 -5.98663 14.1532 30.8174 -11.301 31.6087 11.8228 TIMING: 1684600 CPU: 5394.59, 0.0031583/step Wall: 5394.59, 0.0031583/step, 2.90862 hours remaining, 232.773438 MB of memory in use. ENERGY: 1684600 3986.2234 20687.7501 14529.1509 238.0382 -203111.9613 2451.4740 0.0000 0.0000 52137.9164 -109081.4082 299.6373 -161219.3247 -108723.4356 300.1767 203.2156 223.2358 760684.6833 17.4844 17.5206 PRESSURE: 1684800 -243.247 -80.7467 51.9587 -80.7471 -233.341 23.2627 51.9586 23.2634 -415.817 GPRESSURE: 1684800 -205.319 -24.9901 24.7139 -140.958 -204.032 -39.3857 -15.6321 -6.7987 -402.254 PRESSAVG: 1684800 27.4342 -9.53634 -29.1829 -9.5364 -38.4526 32.5039 -29.1829 32.5039 4.68353 GPRESSAVG: 1684800 28.0021 -12.7256 -28.5448 -6.85946 -39.723 31.9199 -28.5564 32.6539 4.77105 TIMING: 1684800 CPU: 5395.22, 0.00316937/step Wall: 5395.22, 0.00316937/step, 2.91864 hours remaining, 232.773438 MB of memory in use. ENERGY: 1684800 4051.0388 20492.8867 14516.5700 242.8010 -202830.2822 2211.7830 0.0000 0.0000 52097.0667 -109218.1361 299.4026 -161315.2028 -108849.7255 300.1581 -297.4683 -270.5350 760827.3781 -2.1116 -2.3166 PRESSURE: 1685000 280.019 -35.0503 131.817 -35.0507 48.9735 25.6472 131.817 25.6474 181.349 GPRESSURE: 1685000 340.253 28.9228 19.3146 61.9898 42.8155 41.9527 180.082 127.52 211.496 PRESSAVG: 1685000 87.3968 -0.557305 5.01905 -0.557279 -85.5308 78.4389 5.01914 78.4388 10.8156 GPRESSAVG: 1685000 88.0453 1.90622 3.70657 0.552537 -86.1232 80.619 4.98507 76.4528 11.1098 TIMING: 1685000 CPU: 5395.86, 0.00318003/step Wall: 5395.86, 0.00318003/step, 2.92828 hours remaining, 232.773438 MB of memory in use. ENERGY: 1685000 3997.3717 20591.3305 14619.0679 256.5821 -203178.9824 2440.8876 0.0000 0.0000 52298.7455 -108974.9971 300.5616 -161273.7427 -108613.1897 300.3167 170.1139 198.1880 760391.6856 4.2272 4.3439 PRESSURE: 1685200 404.441 137.025 149.371 137.025 256.658 106.967 149.371 106.967 209.548 GPRESSURE: 1685200 391.071 104.435 113.726 -63.5285 299.174 104.16 248.981 14.1481 258.741 PRESSAVG: 1685200 45.3769 -5.34852 13.5399 -5.34854 -20.5881 72.4504 13.5399 72.4505 -11.7162 GPRESSAVG: 1685200 45.8765 -8.16758 13.7472 -6.1935 -20.9514 71.9914 14.5412 74.1778 -11.9012 TIMING: 1685200 CPU: 5396.49, 0.00315428/step Wall: 5396.49, 0.00315428/step, 2.90439 hours remaining, 232.773438 MB of memory in use. ENERGY: 1685200 4001.2633 20645.8010 14581.1283 258.0381 -203361.2622 2610.6906 0.0000 0.0000 52368.7449 -108895.5959 300.9639 -161264.3408 -108537.8466 300.3476 290.2155 316.3287 759312.6444 4.3575 4.3413 PRESSURE: 1685400 473.06 202.108 50.361 202.109 23.0917 25.5198 50.3618 25.5199 244.715 GPRESSURE: 1685400 485.666 90.8046 -18.0574 136.67 36.6914 26.7375 147.305 -21.9514 292.407 PRESSAVG: 1685400 39.7979 -44.4347 21.7139 -44.4348 -13.589 27.3896 21.7138 27.3896 6.4842 GPRESSAVG: 1685400 38.621 -43.9791 22.571 -46.8934 -13.0072 26.8617 21.2339 26.3377 7.12458 TIMING: 1685400 CPU: 5397.12, 0.00314472/step Wall: 5397.12, 0.00314472/step, 2.89541 hours remaining, 232.773438 MB of memory in use. ENERGY: 1685400 3902.5858 20682.3151 14497.9216 237.1471 -202870.6447 2375.0500 0.0000 0.0000 52097.9202 -109077.7049 299.4075 -161175.6251 -108712.0784 300.3731 246.9557 271.5881 761768.7204 10.8977 10.9128 PRESSURE: 1685600 -154.322 52.7144 -20.5535 52.7152 -212.744 141.327 -20.5531 141.327 197.961 GPRESSURE: 1685600 -103.789 37.2798 -66.5093 39.2913 -184.19 118.095 40.9072 39.6334 205.901 PRESSAVG: 1685600 63.8478 30.2047 58.5104 30.2048 -64.5664 47.7539 58.5105 47.7538 4.24397 GPRESSAVG: 1685600 64.223 29.0069 58.0747 31.6267 -63.665 48.0032 59.307 47.6774 3.52728 TIMING: 1685600 CPU: 5397.75, 0.00316446/step Wall: 5397.75, 0.00316446/step, 2.91341 hours remaining, 232.773438 MB of memory in use. ENERGY: 1685600 4040.8296 20525.3084 14609.8030 234.4916 -202969.5369 2289.8159 0.0000 0.0000 52280.3691 -108988.9193 300.4560 -161269.2884 -108630.1705 299.7651 -56.3687 -27.3596 761787.7689 1.1751 1.3618 PRESSURE: 1685800 -312.61 -51.2807 164.886 -51.2815 -164.164 68.3159 164.886 68.316 -126.877 GPRESSURE: 1685800 -287.992 53.098 187.493 -159.844 -86.4323 77.5984 140.194 84.8181 -134.685 PRESSAVG: 1685800 28.9223 -55.4727 23.913 -55.4727 8.87133 56.7705 23.913 56.7705 -20.39 GPRESSAVG: 1685800 29.1509 -51.7839 25.1529 -55.4637 9.32342 55.1647 24.6959 60.1738 -21.5486 TIMING: 1685800 CPU: 5398.38, 0.00316141/step Wall: 5398.38, 0.00316141/step, 2.91043 hours remaining, 232.773438 MB of memory in use. ENERGY: 1685800 4007.6199 20634.7063 14564.9392 257.7347 -202658.7428 2154.6304 0.0000 0.0000 52250.7576 -108788.3548 300.2858 -161039.1123 -108428.2008 300.5671 -201.2168 -169.7033 763031.5357 5.8012 5.6419 PRESSURE: 1686000 -358.521 -83.0372 -91.0738 -83.0363 53.5521 -31.5392 -91.0739 -31.5402 503.765 GPRESSURE: 1686000 -261.041 -33.4787 -54.1827 -41.6921 19.0659 -10.2058 -83.2221 -19.1305 533.457 PRESSAVG: 1686000 13.7573 -55.4742 38.1093 -55.4742 -42.7017 77.9018 38.1093 77.9018 22.8262 GPRESSAVG: 1686000 13.8301 -56.9825 36.0438 -56.2935 -44.3226 77.9264 39.1567 77.5075 23.9657 TIMING: 1686000 CPU: 5399.02, 0.0031611/step Wall: 5399.02, 0.0031611/step, 2.90997 hours remaining, 232.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1686000 4057.1967 20544.4564 14588.1542 244.9777 -203488.1543 2600.5096 0.0000 0.0000 52477.5458 -108975.3139 301.5892 -161452.8597 -108602.8822 300.8937 66.2653 97.1605 760902.9365 -2.0394 -2.1756 PRESSURE: 1686200 350.506 -95.2857 -72.57 -95.2856 219.248 -55.5057 -72.57 -55.5059 326.933 GPRESSURE: 1686200 448.229 -90.8799 -124.709 -143.863 204.848 -82.0445 -103.919 -60.014 329.731 PRESSAVG: 1686200 59.0454 -37.1925 -49.3426 -37.1925 -101.147 7.93034 -49.3425 7.93033 2.4351 GPRESSAVG: 1686200 59.7258 -37.2725 -49.6904 -37.8811 -99.6518 9.32662 -50.1222 6.06023 0.370975 TIMING: 1686200 CPU: 5399.65, 0.00314075/step Wall: 5399.65, 0.00314075/step, 2.89106 hours remaining, 232.773438 MB of memory in use. ENERGY: 1686200 3937.0861 20734.7422 14550.3495 247.9952 -203305.4532 2677.2312 0.0000 0.0000 52149.8346 -109008.2145 299.7058 -161158.0490 -108641.4795 300.2844 298.8956 327.6029 759713.5019 -13.2221 -13.1850 PRESSURE: 1686400 -117.504 263.475 5.27965 263.475 -18.1584 -108.583 5.27872 -108.584 68.5256 GPRESSURE: 1686400 -139.993 267.976 -30.9832 72.1043 25.2854 -9.87576 -23.7696 55.356 116.291 PRESSAVG: 1686400 48.2711 -16.0882 21.661 -16.0881 -31.7609 30.3052 21.661 30.3051 -2.85879 GPRESSAVG: 1686400 47.2174 -17.0538 23.0137 -14.5189 -33.1969 28.4265 21.144 32.1932 -0.391893 TIMING: 1686400 CPU: 5400.28, 0.00317477/step Wall: 5400.28, 0.00317477/step, 2.9222 hours remaining, 232.773438 MB of memory in use. ENERGY: 1686400 4028.6537 20714.0353 14640.8019 245.3913 -203557.0084 2577.0574 0.0000 0.0000 52302.1111 -109048.9578 300.5810 -161351.0689 -108684.6018 300.4157 -22.3790 0.5279 760696.3435 4.5505 4.5429 PRESSURE: 1686600 -82.9244 -23.0693 -24.4357 -23.0697 22.9786 -347.45 -24.4361 -347.45 -354.215 GPRESSURE: 1686600 -38.4788 45.1508 -3.89362 -119.843 33.0417 -337.924 -2.36967 -323.235 -315.71 PRESSAVG: 1686600 48.8245 -54.3301 -37.9402 -54.33 -26.1115 76.0266 -37.9402 76.0267 23.5674 GPRESSAVG: 1686600 49.1274 -52.7959 -37.6297 -54.3447 -24.9785 78.2057 -39.2288 73.9344 22.4686 TIMING: 1686600 CPU: 5400.91, 0.0031676/step Wall: 5400.91, 0.0031676/step, 2.91542 hours remaining, 232.773438 MB of memory in use. ENERGY: 1686600 4004.5648 20848.4686 14591.5694 230.4238 -203074.5987 2337.1989 0.0000 0.0000 51912.8790 -109149.4943 298.3440 -161062.3733 -108797.8436 300.1342 -138.0535 -107.0489 760256.0180 15.4268 15.5392 PRESSURE: 1686800 -18.1011 14.8466 107.584 14.8474 -342.857 100.326 107.585 100.325 186.221 GPRESSURE: 1686800 64.7607 -89.1109 35.3858 -34.3749 -407.912 123.956 -39.0801 6.61696 251.159 PRESSAVG: 1686800 34.6917 15.6616 -49.2065 15.6616 -7.20782 22.3898 -49.2066 22.3898 -14.9026 GPRESSAVG: 1686800 34.4554 14.1138 -51.7369 15.8257 -7.19094 21.0771 -47.5327 24.0164 -14.2261 TIMING: 1686800 CPU: 5401.55, 0.00318111/step Wall: 5401.55, 0.00318111/step, 2.92768 hours remaining, 232.773438 MB of memory in use. ENERGY: 1686800 3953.4315 20665.9153 14600.9175 247.0585 -203406.0979 2437.7490 0.0000 0.0000 52052.6016 -109448.4245 299.1470 -161501.0261 -109073.1473 300.0597 -58.2456 -30.6643 761031.1757 4.1937 4.3461 PRESSURE: 1687000 347.8 -150.088 37.8135 -150.087 187.045 231.327 37.8135 231.327 196.51 GPRESSURE: 1687000 327.648 -115.062 -9.14911 -167.787 262.851 158.719 74.2615 104.592 226.579 PRESSAVG: 1687000 27.3015 17.8287 -14.583 17.8287 -3.48228 -39.1497 -14.583 -39.1497 -10.4573 GPRESSAVG: 1687000 27.6989 18.8785 -14.0153 17.3238 -2.8972 -37.4821 -14.9963 -39.6518 -11.0152 TIMING: 1687000 CPU: 5402.19, 0.00319867/step Wall: 5402.19, 0.00319867/step, 2.94366 hours remaining, 232.773438 MB of memory in use. ENERGY: 1687000 4037.1346 20603.4545 14572.6497 232.6096 -203670.2671 2946.4105 0.0000 0.0000 51917.3867 -109360.6216 298.3699 -161278.0082 -108994.4499 299.3056 243.7850 272.3594 760139.6630 4.4540 4.5955 PRESSURE: 1687200 169.868 44.7319 34.6868 44.7324 -203.289 -42.5981 34.6858 -42.5988 223.245 GPRESSURE: 1687200 205.83 75.1637 34.964 -18.1471 -218.289 -84.4785 -9.96678 21.8902 293.709 PRESSAVG: 1687200 39.1679 -1.17389 37.2382 -1.17391 -62.0205 -5.96085 37.2382 -5.96081 7.12864 GPRESSAVG: 1687200 39.1613 -1.19723 38.0652 -2.75587 -62.6801 -6.62635 36.3653 -7.96934 7.6549 TIMING: 1687200 CPU: 5402.83, 0.00319055/step Wall: 5402.83, 0.00319055/step, 2.93602 hours remaining, 232.773438 MB of memory in use. ENERGY: 1687200 3932.3359 20673.1668 14594.1221 241.4235 -203658.7040 2740.2285 0.0000 0.0000 52166.1546 -109311.2727 299.7996 -161477.4273 -108936.8188 299.4242 63.2748 93.7497 760119.8589 -5.2413 -5.2880 PRESSURE: 1687400 -103.868 -6.4198 -112.11 -6.42009 -151.416 54.7807 -112.109 54.781 -490.777 GPRESSURE: 1687400 -114.339 4.13066 -103.985 -42.2267 -68.4898 101.724 -96.9997 -74.3926 -491.896 PRESSAVG: 1687400 33.2536 -47.6949 18.936 -47.695 -31.8806 14.8615 18.9359 14.8615 22.717 GPRESSAVG: 1687400 32.1151 -49.4916 19.3438 -45.2755 -30.9059 14.5011 17.8792 13.548 22.299 TIMING: 1687400 CPU: 5403.46, 0.00317802/step Wall: 5403.46, 0.00317801/step, 2.9243 hours remaining, 232.773438 MB of memory in use. ENERGY: 1687400 3978.7452 20405.1003 14586.6052 265.8472 -203620.6430 2589.5417 0.0000 0.0000 52194.6102 -109600.1933 299.9631 -161794.8035 -109226.9517 298.5689 -248.6871 -224.9084 761175.7589 8.0300 7.8361 PRESSURE: 1687600 55.8014 -21.3099 142.254 -21.3098 22.8053 90.9736 142.254 90.9733 27.8829 GPRESSURE: 1687600 131.366 61.5457 108.717 -118.684 -5.74011 50.4268 106.123 166.475 79.5671 PRESSAVG: 1687600 26.9492 -58.2942 45.7147 -58.2942 -20.4378 46.1459 45.7147 46.146 -10.4388 GPRESSAVG: 1687600 27.7803 -57.9357 46.2159 -57.6501 -22.7476 46.5838 48.1682 47.5972 -9.69742 TIMING: 1687600 CPU: 5404.1, 0.0031889/step Wall: 5404.1, 0.0031889/step, 2.93414 hours remaining, 232.773438 MB of memory in use. ENERGY: 1687600 4068.3385 20613.1574 14543.1965 226.8098 -203595.5953 2542.5101 0.0000 0.0000 51925.3844 -109676.1986 298.4159 -161601.5830 -109306.2092 298.8437 35.4965 68.3978 761628.6098 -1.3091 -1.5549 PRESSURE: 1687800 -177.644 -87.5603 49.4232 -87.5605 -260.689 255.639 49.4234 255.639 115.087 GPRESSURE: 1687800 -63.1704 -40.3865 120.516 -131.997 -242.386 173.592 128.3 299.1 74.4278 PRESSAVG: 1687800 73.042 -36.9764 -1.44782 -36.9764 -55.0933 11.3897 -1.44779 11.3897 6.31189 GPRESSAVG: 1687800 72.2868 -35.0568 -2.18941 -39.2701 -54.5037 11.3537 -1.96672 13.3285 5.86293 TIMING: 1687800 CPU: 5404.74, 0.00320922/step Wall: 5404.74, 0.00320922/step, 2.95266 hours remaining, 232.773438 MB of memory in use. ENERGY: 1687800 4022.9400 20394.4944 14528.7820 237.5315 -203457.7803 2798.0945 0.0000 0.0000 51867.3021 -109608.6358 298.0821 -161475.9379 -109245.0160 298.8322 -107.7486 -77.0427 762253.4931 8.0869 7.8820 PRESSURE: 1688000 48.2012 154.147 -30.3251 154.147 -7.68005 169.879 -30.3248 169.879 -117.362 GPRESSURE: 1688000 171.607 33.8897 0.269213 117.499 -39.9713 68.3841 -93.1563 227.453 -114.32 PRESSAVG: 1688000 9.44647 0.836557 -28.2669 0.836612 -32.6586 29.6443 -28.2669 29.6442 16.4341 GPRESSAVG: 1688000 9.7502 -0.853833 -28.7525 3.69225 -32.7787 26.6505 -28.8302 29.5838 16.2662 TIMING: 1688000 CPU: 5405.38, 0.00318659/step Wall: 5405.38, 0.00318659/step, 2.93166 hours remaining, 232.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1688000 4003.5705 20497.3770 14569.0588 233.0061 -203588.3404 2970.1122 0.0000 0.0000 52061.6581 -109253.5577 299.1991 -161315.2158 -108893.0150 298.8136 -25.6136 5.7717 761713.3775 -2.2593 -2.2541 PRESSURE: 1688200 191.46 216.601 -62.9382 216.601 88.2932 -32.9307 -62.9382 -32.9307 55.152 GPRESSURE: 1688200 274.511 127.616 -32.6969 179.232 146.617 -171.446 -34.9594 80.8673 4.41032 PRESSAVG: 1688200 4.39494 14.454 21.5845 14.454 -11.7196 9.84592 21.5846 9.84587 -6.40606 GPRESSAVG: 1688200 5.2498 14.1988 22.7485 14.3434 -11.2178 10.3505 21.4394 10.7171 -7.35166 TIMING: 1688200 CPU: 5406.01, 0.00317296/step Wall: 5406.01, 0.00317296/step, 2.91895 hours remaining, 232.773438 MB of memory in use. ENERGY: 1688200 3993.5599 20570.0428 14475.7273 239.6510 -203355.5865 2718.0690 0.0000 0.0000 51984.3405 -109374.1959 298.7547 -161358.5364 -109011.6800 299.2829 111.6350 141.8460 760857.8302 -4.5769 -4.4399 LDB: ============= START OF LOAD BALANCING ============== 5418.44 LDB: ============== END OF LOAD BALANCING =============== 5418.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5418.44 LDB: ============= START OF LOAD BALANCING ============== 5418.76 LDB: Largest compute 7034 load 0.033964 is 17.4% of average load 0.195449 LDB: Average compute 0.004394 is 2.2% of average load 0.195449 LDB: TIME 5418.77 LOAD: AVG 0.195449 MAX 0.212918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.223 MB LDB: TIME 5418.77 LOAD: AVG 0.195449 MAX 0.212918 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: TIME 5418.77 LOAD: AVG 0.195449 MAX 0.212918 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: ============== END OF LOAD BALANCING =============== 5418.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5418.77 PRESSURE: 1688400 409.035 34.7301 -43.6936 34.7295 173.897 -18.8301 -43.6944 -18.8297 504.325 GPRESSURE: 1688400 415.335 72.4364 96.9506 58.596 240.243 -59.6686 -147.643 -5.0603 496.281 PRESSAVG: 1688400 -12.1827 -35.5469 57.7564 -35.5469 -1.50453 -0.180879 57.7563 -0.180924 -3.95782 GPRESSAVG: 1688400 -13.0291 -33.3954 56.6997 -37.3635 -1.49471 0.48586 57.9911 -0.0465172 -3.34673 TIMING: 1688400 CPU: 5406.67, 0.00326501/step Wall: 5406.67, 0.00326501/step, 3.00344 hours remaining, 230.656250 MB of memory in use. ENERGY: 1688400 3917.4623 20680.0237 14648.8431 246.4933 -203277.6854 2546.0902 0.0000 0.0000 51842.1762 -109396.5966 297.9377 -161238.7728 -109030.0542 298.9690 362.4190 383.9533 760754.2503 -5.8817 -5.9568 PRESSURE: 1688600 149.135 -5.71761 -48.032 -5.71712 -9.3626 188.954 -48.0317 188.955 -14.9613 GPRESSURE: 1688600 192.892 -23.3973 -33.4792 42.7569 34.6006 206.45 10.4782 193.823 -32.4312 PRESSAVG: 1688600 44.384 -25.9915 20.5544 -25.9915 -28.8399 1.37366 20.5544 1.3737 3.40398 GPRESSAVG: 1688600 44.3358 -28.021 20.9086 -26.561 -28.3592 2.10428 22.0564 -1.16259 3.16661 TIMING: 1688600 CPU: 5407.31, 0.00319696/step Wall: 5407.31, 0.00319696/step, 2.94067 hours remaining, 230.859375 MB of memory in use. ENERGY: 1688600 4001.0194 20540.8562 14650.6213 246.6916 -203207.6858 2546.6902 0.0000 0.0000 51878.6852 -109343.1219 298.1475 -161221.8071 -108983.1746 299.4979 41.6038 65.0203 762749.8532 6.3160 6.3811 PRESSURE: 1688800 45.6057 -43.8676 -38.4175 -43.8685 207.226 -6.63625 -38.4175 -6.63602 184.947 GPRESSURE: 1688800 140.561 -100.697 78.2212 -70.5468 234.964 69.9934 -119.431 -64.6769 156.636 PRESSAVG: 1688800 -23.7379 10.3716 16.7125 10.3716 9.95537 76.6508 16.7125 76.6508 -17.9133 GPRESSAVG: 1688800 -23.004 12.2714 17.9229 11.0081 8.97451 76.5475 15.2127 76.4028 -17.5681 TIMING: 1688800 CPU: 5407.94, 0.00316088/step Wall: 5407.94, 0.00316088/step, 2.9073 hours remaining, 230.859375 MB of memory in use. ENERGY: 1688800 4099.0028 20584.2202 14606.1878 236.8594 -203079.4616 2448.9895 0.0000 0.0000 51802.7022 -109301.4997 297.7108 -161104.2020 -108950.7939 298.9702 145.9263 177.3870 760061.7922 -10.5653 -10.5325 PRESSURE: 1689000 -293.901 205.748 137.012 205.748 -4.75717 95.4851 137.012 95.4853 -274.865 GPRESSURE: 1689000 -194.068 226.831 43.9534 187.473 -28.1806 53.9314 125.871 30.13 -268.185 PRESSAVG: 1689000 -0.079299 1.32638 38.7847 1.32636 -14.811 5.33209 38.7847 5.3321 15.4331 GPRESSAVG: 1689000 0.0253879 -0.122038 36.5114 2.65976 -14.8077 5.61039 37.8772 5.81279 15.2212 TIMING: 1689000 CPU: 5408.58, 0.00317983/step Wall: 5408.58, 0.00317983/step, 2.92456 hours remaining, 230.859375 MB of memory in use. ENERGY: 1689000 4014.5305 20452.3276 14529.5971 251.0758 -203113.7339 2276.1100 0.0000 0.0000 52238.3354 -109351.7574 300.2144 -161590.0929 -108978.0481 299.4589 -191.1742 -163.4778 761105.2994 0.1809 0.1463 PRESSURE: 1689200 -360.356 72.4998 47.017 72.4994 -256.566 -19.7454 47.0166 -19.7447 -3.15115 GPRESSURE: 1689200 -269.509 43.3046 33.7549 13.5604 -204.999 -142.225 36.3023 68.578 -27.8803 PRESSAVG: 1689200 20.5478 -47.2617 34.6275 -47.2617 -20.8676 -4.06827 34.6275 -4.06834 -6.15403 GPRESSAVG: 1689200 21.03 -46.4298 34.5689 -48.2345 -20.3548 -5.82595 34.585 -1.29589 -6.8751 TIMING: 1689200 CPU: 5409.21, 0.00317255/step Wall: 5409.21, 0.00317255/step, 2.91768 hours remaining, 230.859375 MB of memory in use. ENERGY: 1689200 3982.6424 20433.1755 14502.3852 237.3913 -202955.7116 2531.0168 0.0000 0.0000 51905.6698 -109363.4307 298.3026 -161269.1005 -109007.0946 299.1141 -206.6912 -167.4628 762928.1448 -2.1579 -2.0666 PRESSURE: 1689400 73.5962 -6.09484 -113.468 -6.0951 108.838 98.3172 -113.468 98.3169 -468.273 GPRESSURE: 1689400 21.4182 -146.455 -38.125 95.1226 186.696 111.952 13.7642 39.3124 -394.916 PRESSAVG: 1689400 -26.5233 44.4257 20.9951 44.4256 24.0418 -15.7939 20.9951 -15.794 -4.89976 GPRESSAVG: 1689400 -28.4202 42.9517 24.1486 44.5337 23.7906 -14.0594 17.7145 -18.3843 -2.78978 TIMING: 1689400 CPU: 5409.84, 0.00314732/step Wall: 5409.84, 0.00314732/step, 2.89431 hours remaining, 230.859375 MB of memory in use. ENERGY: 1689400 4035.6176 20373.1761 14486.5672 257.8076 -203249.8216 2654.4153 0.0000 0.0000 52066.0069 -109376.2310 299.2241 -161442.2378 -109017.8757 299.2094 -95.2796 -62.2674 760560.1081 -2.4604 -2.4731 PRESSURE: 1689600 98.3718 120.903 -105.176 120.903 -168.244 -11.1354 -105.177 -11.1363 -367.44 GPRESSURE: 1689600 115.815 67.5957 -86.5789 112.712 -82.0618 -21.8846 -81.3388 -105.082 -397.75 PRESSAVG: 1689600 20.3116 31.8186 31.9174 31.8186 9.17367 17.5262 31.9173 17.5262 -6.06281 GPRESSAVG: 1689600 21.0436 31.0722 31.4019 33.8612 9.07833 18.5045 35.4834 17.559 -6.38523 TIMING: 1689600 CPU: 5410.47, 0.00316589/step Wall: 5410.47, 0.00316589/step, 2.91121 hours remaining, 230.859375 MB of memory in use. ENERGY: 1689600 4088.0539 20423.6419 14600.7749 244.2740 -203771.4494 2720.7487 0.0000 0.0000 52260.6215 -109433.3344 300.3425 -161693.9559 -109068.9869 299.4414 -145.7710 -121.3321 761713.3185 7.8075 7.9122 PRESSURE: 1689800 -73.1777 -43.1943 15.7094 -43.1943 3.13242 -53.8839 15.7096 -53.8825 254.521 GPRESSURE: 1689800 -43.804 -15.3241 51.4119 -167.852 22.1705 4.52204 9.38589 8.72658 259.257 PRESSAVG: 1689800 -20.6589 -50.8616 -16.6829 -50.8615 60.5875 -9.11416 -16.6829 -9.11413 9.79786 GPRESSAVG: 1689800 -20.7056 -49.0635 -16.5132 -52.8361 60.1129 -9.15364 -14.3646 -7.28461 9.73152 TIMING: 1689800 CPU: 5411.1, 0.00316088/step Wall: 5411.1, 0.00316088/step, 2.90643 hours remaining, 230.859375 MB of memory in use. ENERGY: 1689800 4041.1136 20511.3799 14612.2428 233.6110 -203431.5946 2448.9261 0.0000 0.0000 52232.2287 -109352.0923 300.1793 -161584.3211 -108996.9052 299.9997 61.4921 79.2077 760200.6424 16.5755 16.3796 PRESSURE: 1690000 253.595 -152.958 172.287 -152.958 -147.053 -162.163 172.287 -162.163 -35.5776 GPRESSURE: 1690000 153.196 -119.544 136.349 -67.9171 -46.4551 -158.786 74.0333 -310.201 38.8388 PRESSAVG: 1690000 5.98062 -6.82677 21.624 -6.82676 19.8712 -23.3609 21.624 -23.3609 9.42393 GPRESSAVG: 1690000 4.55584 -7.18521 18.6558 -7.20275 21.2015 -24.2336 22.2798 -23.9732 9.45703 TIMING: 1690000 CPU: 5411.74, 0.0031719/step Wall: 5411.74, 0.0031719/step, 2.91638 hours remaining, 230.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1690000 3927.8650 20559.8022 14533.0099 251.7704 -202926.8325 2359.3127 0.0000 0.0000 52093.1017 -109201.9705 299.3798 -161295.0722 -108846.4077 299.2991 23.6548 48.5266 760119.5857 11.7586 11.7381 PRESSURE: 1690200 -176.07 108.038 28.8199 108.038 -248.577 36.8095 28.8191 36.8088 -248.571 GPRESSURE: 1690200 -91.7428 95.427 60.1072 192.155 -168.647 24.9051 -63.2839 10.2796 -321.643 PRESSAVG: 1690200 0.853644 -20.5815 7.75451 -20.5815 35.5736 -13.6002 7.75452 -13.6003 5.22664 GPRESSAVG: 1690200 1.58599 -20.0122 9.44008 -20.5151 34.6424 -11.2364 4.4638 -14.1931 5.29546 TIMING: 1690200 CPU: 5412.38, 0.00318583/step Wall: 5412.38, 0.00318583/step, 2.92902 hours remaining, 230.859375 MB of memory in use. ENERGY: 1690200 3994.8284 20350.7356 14605.3336 242.6169 -202943.5554 2237.0213 0.0000 0.0000 52266.5817 -109246.4379 300.3768 -161513.0196 -108881.3930 299.8247 -224.4059 -194.0109 760119.6293 13.8846 13.8413 PRESSURE: 1690400 225.513 4.50461 -329.55 4.505 16.0922 203.058 -329.548 203.057 608.136 GPRESSURE: 1690400 150.824 86.33 -349.599 -12.6843 170.829 191.094 -335.393 50.662 607.507 PRESSAVG: 1690400 -15.4241 29.3148 20.9624 29.3148 15.3121 -37.8219 20.9624 -37.8219 20.434 GPRESSAVG: 1690400 -16.8144 28.547 21.8354 31.5116 17.1835 -39.1486 22.2203 -38.3446 19.3327 TIMING: 1690400 CPU: 5413.01, 0.0031608/step Wall: 5413.01, 0.0031608/step, 2.90583 hours remaining, 230.859375 MB of memory in use. ENERGY: 1690400 3978.7859 20343.4165 14613.3189 255.7396 -203150.2035 2668.4077 0.0000 0.0000 51945.9958 -109344.5390 298.5344 -161290.5349 -108989.6937 299.2256 283.2471 309.7201 761325.7556 6.7740 6.5672 PRESSURE: 1690600 2.99367 -180.763 93.1342 -180.764 334.937 7.15202 93.1337 7.15227 -294 GPRESSURE: 1690600 9.36735 -207.771 37.0562 -315.482 363.291 -32.6584 150.848 90.1705 -228.501 PRESSAVG: 1690600 -23.9961 -10.0932 47.703 -10.0932 42.1905 7.81668 47.7031 7.81668 12.1189 GPRESSAVG: 1690600 -24.6177 -9.63424 47.118 -12.1097 41.8722 7.77148 48.1377 9.08481 13.4275 TIMING: 1690600 CPU: 5413.64, 0.00316304/step Wall: 5413.64, 0.00316304/step, 2.90772 hours remaining, 230.859375 MB of memory in use. ENERGY: 1690600 3992.8813 20403.6603 14575.7611 250.1202 -203380.6580 2758.4492 0.0000 0.0000 52149.4330 -109250.3529 299.7035 -161399.7859 -108879.2804 299.7117 14.6435 48.0522 761851.5514 10.1044 10.2273 PRESSURE: 1690800 -46.0683 74.2369 18.6618 74.2368 -67.1561 -154.475 18.6625 -154.474 -217.172 GPRESSURE: 1690800 -31.5514 95.4215 11.0499 136.517 79.5811 -105.902 101.737 -258.76 -266.365 PRESSAVG: 1690800 7.81324 -23.0418 22.6715 -23.0419 24.3466 37.2169 22.6715 37.2168 9.16786 GPRESSAVG: 1690800 8.43753 -22.867 23.9234 -19.9682 23.7585 37.3512 23.6795 36.9189 8.99708 TIMING: 1690800 CPU: 5414.27, 0.00315326/step Wall: 5414.27, 0.00315326/step, 2.89855 hours remaining, 230.859375 MB of memory in use. ENERGY: 1690800 4078.3595 20410.0402 14555.2880 241.1744 -203192.8985 2567.8183 0.0000 0.0000 52085.1746 -109255.0435 299.3342 -161340.2181 -108892.9761 299.4978 -110.1320 -72.7784 763268.9407 13.7759 13.7310 PRESSURE: 1691000 497.088 -221.692 -210.66 -221.693 -67.8537 -125.06 -210.659 -125.06 133.222 GPRESSURE: 1691000 511.664 -342.928 -140.383 -275.565 47.4134 -135.542 -103.142 -116.979 85.1977 PRESSAVG: 1691000 13.5662 20.4457 55.5809 20.4457 -19.2146 -10.5732 55.5809 -10.5732 -16.0893 GPRESSAVG: 1691000 13.7462 20.5224 54.3385 18.2769 -18.2602 -11.4848 56.1834 -9.87762 -17.3694 TIMING: 1691000 CPU: 5414.91, 0.00318168/step Wall: 5414.91, 0.00318168/step, 2.92449 hours remaining, 230.859375 MB of memory in use. ENERGY: 1691000 3989.4129 20659.5159 14510.5077 228.1737 -203142.1323 2591.9662 0.0000 0.0000 51899.4252 -109263.1307 298.2667 -161162.5559 -108905.4547 299.3072 187.4853 214.7583 763264.7328 -7.2459 -7.2945 PRESSURE: 1691200 -242.189 162.275 43.3442 162.274 174.164 -73.2254 43.3435 -73.2254 350.318 GPRESSURE: 1691200 -152.584 131.87 30.8524 141.32 211.072 -147.306 17.758 -11.5014 299.545 PRESSAVG: 1691200 21.642 -6.22429 -5.45207 -6.22429 -25.1035 11.3483 -5.45203 11.3484 7.52984 GPRESSAVG: 1691200 22.4366 -6.68833 -6.17532 -4.96076 -27.2733 12.2617 -7.15137 10.379 8.6594 TIMING: 1691200 CPU: 5415.54, 0.00315218/step Wall: 5415.54, 0.00315217/step, 2.8972 hours remaining, 230.859375 MB of memory in use. ENERGY: 1691200 3958.2296 20439.1892 14554.0041 234.4461 -203447.5790 2838.3203 0.0000 0.0000 52146.8092 -109276.5806 299.6884 -161423.3898 -108916.2576 299.3763 94.0979 119.3441 761793.3237 1.3561 1.2742 PRESSURE: 1691400 -136.069 38.0026 90.1688 38.0029 -85.6655 -113.702 90.1675 -113.702 79.0964 GPRESSURE: 1691400 -156.988 46.262 100.808 -83.3 -3.16751 -103.776 -66.089 -95.2106 116.117 PRESSAVG: 1691400 -15.4213 -14.8902 32.696 -14.8902 6.13387 5.2593 32.696 5.25936 5.73735 GPRESSAVG: 1691400 -14.7979 -15.4195 32.708 -14.7947 6.41085 5.50153 33.2388 4.11667 4.49548 TIMING: 1691400 CPU: 5416.17, 0.00317605/step Wall: 5416.17, 0.00317605/step, 2.91897 hours remaining, 230.859375 MB of memory in use. ENERGY: 1691400 4035.4270 20315.5564 14605.7098 249.3271 -203220.8097 2461.9545 0.0000 0.0000 52283.9423 -109268.8924 300.4765 -161552.8348 -108909.1642 299.8888 -47.5460 -14.6796 762487.1954 -1.1834 -1.2972 PRESSURE: 1691600 473.728 7.33263 -118.458 7.33341 87.3809 -136.868 -118.457 -136.868 79.0094 GPRESSURE: 1691600 530.339 38.6149 -100.291 12.3362 75.9124 -121.574 -142.57 -268.515 110.986 PRESSAVG: 1691600 15.382 -21.9221 41.6347 -21.9221 19.2231 43.4445 41.6348 43.4444 8.98388 GPRESSAVG: 1691600 14.8114 -20.177 42.2398 -21.6582 20.087 43.2013 43.4944 44.2864 8.73629 TIMING: 1691600 CPU: 5416.81, 0.00316924/step Wall: 5416.81, 0.00316924/step, 2.91253 hours remaining, 230.859375 MB of memory in use. ENERGY: 1691600 4062.3805 20688.9376 14576.8409 237.5827 -203732.6284 2778.0664 0.0000 0.0000 52246.9193 -109141.9010 300.2638 -161388.8203 -108789.0346 299.5804 213.3728 239.0792 761458.1553 14.5297 14.5449 PRESSURE: 1691800 -156.242 -113.361 -186.2 -113.361 -260.114 92.1548 -186.2 92.1547 -181.963 GPRESSURE: 1691800 -167.421 -44.5605 -172.311 -211.097 -210.819 83.7443 -174.691 143.201 -138.25 PRESSAVG: 1691800 -8.88473 -9.95438 40.0439 -9.95447 -13.183 -53.2351 40.0439 -53.235 -3.42318 GPRESSAVG: 1691800 -8.62852 -9.33937 39.7766 -11.4817 -14.3785 -55.7906 39.1108 -53.0903 -2.00495 TIMING: 1691800 CPU: 5417.45, 0.00320449/step Wall: 5417.45, 0.00320449/step, 2.94474 hours remaining, 230.859375 MB of memory in use. ENERGY: 1691800 3990.0625 20625.9693 14562.2231 243.6633 -203264.4491 2534.3254 0.0000 0.0000 51924.7430 -109383.4625 298.4122 -161308.2055 -109014.6738 299.1612 -199.4397 -172.1634 762745.5903 -8.4970 -8.3373 PRESSURE: 1692000 -38.963 -199.458 -73.9352 -199.458 -178.799 52.56 -73.9354 52.5591 -547.597 GPRESSURE: 1692000 -15.7385 -158.448 -73.6855 -192.258 -130.537 85.4298 -88.0615 171.404 -534.953 PRESSAVG: 1692000 -23.425 26.4725 -19.6204 26.4725 16.0539 -17.9749 -19.6204 -17.9749 -5.67859 GPRESSAVG: 1692000 -23.5948 23.9311 -19.2458 25.4413 15.3921 -16.8419 -17.92 -18.5062 -5.26835 TIMING: 1692000 CPU: 5418.09, 0.0031901/step Wall: 5418.09, 0.0031901/step, 2.93135 hours remaining, 230.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1692000 4019.7020 20430.3278 14566.8111 241.2790 -203521.3164 2407.4257 0.0000 0.0000 51969.0293 -109886.7414 298.6667 -161855.7707 -109523.1476 298.4286 -255.1196 -227.0761 760906.0171 -4.3499 -4.4903 PRESSURE: 1692200 -246.456 5.72933 131.26 5.72952 -73.7397 43.4521 131.26 43.4526 99.1513 GPRESSURE: 1692200 -231.487 -74.875 122.293 133.712 -50.4025 56.461 117.351 122.363 151.311 PRESSAVG: 1692200 -45.9012 13.4894 16.411 13.4894 27.1151 -3.74555 16.4109 -3.74563 0.0473276 GPRESSAVG: 1692200 -46.5918 16.6414 16.7911 14.9672 28.8361 -3.57068 15.0034 -2.67637 -0.788629 TIMING: 1692200 CPU: 5418.72, 0.00316957/step Wall: 5418.72, 0.00316957/step, 2.9123 hours remaining, 230.859375 MB of memory in use. ENERGY: 1692200 3954.5157 20319.2234 14562.8192 227.6591 -203840.8660 2808.4558 0.0000 0.0000 51920.0277 -110048.1651 298.3851 -161968.1928 -109684.8867 298.0656 -73.6815 -43.5264 761173.2239 -6.2463 -6.1815 LDB: ============= START OF LOAD BALANCING ============== 5431.14 LDB: ============== END OF LOAD BALANCING =============== 5431.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5431.14 LDB: ============= START OF LOAD BALANCING ============== 5431.46 LDB: Largest compute 7046 load 0.033588 is 17.2% of average load 0.195449 LDB: Average compute 0.004407 is 2.3% of average load 0.195449 LDB: TIME 5431.47 LOAD: AVG 0.195449 MAX 0.212426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.621 MB LDB: TIME 5431.47 LOAD: AVG 0.195449 MAX 0.212426 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: TIME 5431.47 LOAD: AVG 0.195449 MAX 0.212426 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: ============== END OF LOAD BALANCING =============== 5431.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5431.48 PRESSURE: 1692400 141.2 191.236 69.6136 191.236 201.752 123.747 69.6129 123.749 -102.726 GPRESSURE: 1692400 250.516 139.536 120.245 62.6056 208.503 23.2416 63.6066 57.0144 -131.356 PRESSAVG: 1692400 2.03208 25.1025 5.9997 25.1025 26.5842 -55.0511 5.99974 -55.0511 -13.9782 GPRESSAVG: 1692400 4.08048 21.1278 6.23056 24.6727 24.6008 -54.905 6.08321 -56.1512 -13.7965 TIMING: 1692400 CPU: 5419.37, 0.00324532/step Wall: 5419.37, 0.00324532/step, 2.98173 hours remaining, 231.878906 MB of memory in use. ENERGY: 1692400 4031.9674 20403.6853 14530.8458 251.0941 -203284.5927 2540.1558 0.0000 0.0000 51875.8748 -109650.9694 298.1314 -161526.8443 -109293.8631 298.3902 80.0752 109.2214 761645.4417 4.8794 4.9616 PRESSURE: 1692600 -264.545 -46.5947 -155.516 -46.595 -181.485 52.1255 -155.516 52.1253 -230.275 GPRESSURE: 1692600 -114.757 -47.0293 -189.126 39.3487 -258.063 90.5041 -19.8253 24.5211 -199.13 PRESSAVG: 1692600 -15.2173 -3.46874 -15.0801 -3.46877 56.582 23.8082 -15.0801 23.8083 10.3278 GPRESSAVG: 1692600 -14.8828 -1.95328 -16.1352 -1.12751 56.7266 24.2427 -13.0868 25.7221 9.56986 TIMING: 1692600 CPU: 5420.01, 0.00319247/step Wall: 5420.01, 0.00319247/step, 2.93299 hours remaining, 232.082031 MB of memory in use. ENERGY: 1692600 4046.9023 20469.5250 14585.1675 249.3584 -203205.0675 2409.5319 0.0000 0.0000 51854.7390 -109589.8434 298.0099 -161444.5824 -109233.0186 298.4600 -225.4353 -190.6501 761374.1224 17.2309 17.1379 PRESSURE: 1692800 -9.32727 -103.853 -66.6843 -103.853 -400.348 -14.9588 -66.6831 -14.9594 -24.4673 GPRESSURE: 1692800 -17.6365 -153.883 -69.5033 -180.479 -363.316 -56.1707 -28.8265 -3.12199 14.0539 PRESSAVG: 1692800 -28.4232 -60.096 -5.1102 -60.096 -17.9359 50.7549 -5.11019 50.755 -1.60635 GPRESSAVG: 1692800 -29.9741 -61.3879 -4.94653 -61.5398 -17.7473 49.041 -6.26753 49.0652 -0.491627 TIMING: 1692800 CPU: 5420.64, 0.0031743/step Wall: 5420.64, 0.0031743/step, 2.91612 hours remaining, 232.082031 MB of memory in use. ENERGY: 1692800 3918.1330 20584.2979 14599.4001 248.3781 -203389.4191 2473.0595 0.0000 0.0000 52053.9952 -109512.1554 299.1550 -161566.1505 -109147.1226 299.0134 -144.7143 -122.2996 761619.6377 -15.9885 -16.0710 PRESSURE: 1693000 -123.547 -80.8349 323.361 -80.834 -208.678 -77.5191 323.361 -77.5199 -570.529 GPRESSURE: 1693000 -38.0991 -63.5511 250.838 24.8724 -239.349 -58.8826 285.641 -165.048 -543.804 PRESSAVG: 1693000 62.9269 -35.054 -19.8301 -35.054 -54.735 28.3503 -19.8301 28.3503 -14.4911 GPRESSAVG: 1693000 62.8066 -32.0101 -20.7495 -36.3407 -54.3487 29.5762 -18.6459 28.6627 -14.3053 TIMING: 1693000 CPU: 5421.28, 0.00316648/step Wall: 5421.28, 0.00316648/step, 2.90876 hours remaining, 232.082031 MB of memory in use. ENERGY: 1693000 3992.6246 20353.5555 14549.7269 245.3639 -202891.7252 1923.4281 0.0000 0.0000 52117.3097 -109709.7164 299.5189 -161827.0261 -109350.2739 299.2368 -300.9180 -273.7506 761683.6338 -2.0997 -1.9491 PRESSURE: 1693200 -717.266 28.7954 38.1896 28.7967 -353.659 309.652 38.1886 309.653 -302.105 GPRESSURE: 1693200 -622.582 78.7127 114.032 -10.3324 -295.42 298.69 16.0325 220.574 -386.868 PRESSAVG: 1693200 65.4946 -27.8971 64.262 -27.8971 -2.81716 10.4774 64.262 10.4774 24.9408 GPRESSAVG: 1693200 66.5296 -28.8032 64.9345 -29.3572 -2.91447 11.3769 61.8722 8.1036 24.1287 TIMING: 1693200 CPU: 5421.91, 0.00317304/step Wall: 5421.91, 0.00317304/step, 2.91461 hours remaining, 232.082031 MB of memory in use. ENERGY: 1693200 4031.3128 20641.4039 14519.1358 249.5855 -203147.9357 2151.1205 0.0000 0.0000 51739.8334 -109815.5437 297.3495 -161555.3771 -109450.9033 299.5517 -457.6766 -434.9566 760708.2562 29.2061 29.2479 PRESSURE: 1693400 -195.46 -86.9177 -20.6609 -86.9169 -75.5959 -98.6943 -20.6613 -98.6943 -318.392 GPRESSURE: 1693400 -116.535 -66.7821 35.064 -61.6297 -105.259 -54.5112 -71.0594 -26.9619 -276.645 PRESSAVG: 1693400 -20.5131 -41.5654 11.7832 -41.5655 18.5994 35.0474 11.7832 35.0473 -5.73392 GPRESSAVG: 1693400 -21.6373 -41.2421 11.3998 -39.1119 18.9994 35.4603 14.1306 37.5953 -5.58602 TIMING: 1693400 CPU: 5422.54, 0.0031586/step Wall: 5422.54, 0.0031586/step, 2.90118 hours remaining, 232.082031 MB of memory in use. ENERGY: 1693400 4021.8389 20524.6208 14527.6606 230.9403 -203248.3931 2162.1721 0.0000 0.0000 51757.9941 -110023.1664 297.4539 -161781.1605 -109669.4205 298.2298 -196.4829 -166.1462 758398.5427 -2.5492 -2.7413 PRESSURE: 1693600 -96.4675 -49.1332 -58.9571 -49.1337 67.4357 -54.7215 -58.9577 -54.7207 -90.9295 GPRESSURE: 1693600 -60.2532 16.1035 -116.956 -10.4967 116.916 -51.9307 -17.1667 -213.603 -89.204 PRESSAVG: 1693600 -5.68473 11.6479 5.66941 11.6479 26.7389 9.89384 5.66943 9.89387 -12.0272 GPRESSAVG: 1693600 -6.08414 11.174 6.60231 11.3197 27.1738 9.54982 2.94721 8.78864 -11.6834 TIMING: 1693600 CPU: 5423.18, 0.00316552/step Wall: 5423.18, 0.00316552/step, 2.90735 hours remaining, 232.082031 MB of memory in use. ENERGY: 1693600 3993.4743 20469.2544 14543.0878 252.7803 -203716.8869 2557.9500 0.0000 0.0000 51945.1627 -109955.1773 298.5296 -161900.3400 -109587.4121 298.2455 -39.9871 -10.8471 757701.9820 3.0090 3.1354 PRESSURE: 1693800 -391.403 -47.4055 9.11548 -47.4066 -313.836 243.244 9.11569 243.246 -161.955 GPRESSURE: 1693800 -364.78 -49.1812 -5.57443 -50.5416 -248.582 249.23 -72.0907 152.732 -182.04 PRESSAVG: 1693800 22.1911 -8.76591 8.24919 -8.76596 -23.777 21.978 8.24921 21.9779 14.775 GPRESSAVG: 1693800 21.9083 -9.90808 7.60914 -8.54698 -24.0079 20.3615 10.382 21.2839 15.0682 TIMING: 1693800 CPU: 5423.81, 0.0031639/step Wall: 5423.81, 0.0031639/step, 2.90569 hours remaining, 232.082031 MB of memory in use. ENERGY: 1693800 4040.9883 20517.0388 14563.0505 258.4505 -203552.6389 2502.4540 0.0000 0.0000 51662.1566 -110008.5001 296.9031 -161670.6567 -109655.1550 297.9358 -289.0646 -265.1340 761791.7811 4.3964 4.3229 PRESSURE: 1694000 -333.26 19.3397 113.823 19.3396 166.695 40.0149 113.823 40.0146 97.4409 GPRESSURE: 1694000 -179.656 16.4508 97.7126 -55.2076 84.8582 -4.1703 86.4952 127.42 117.826 PRESSAVG: 1694000 37.0881 7.49764 30.9021 7.49762 -15.824 8.72883 30.9021 8.72891 3.02127 GPRESSAVG: 1694000 39.2857 7.57741 30.9298 8.60849 -16.0578 9.41135 31.4364 8.21112 0.878078 TIMING: 1694000 CPU: 5424.44, 0.00314114/step Wall: 5424.44, 0.00314114/step, 2.88461 hours remaining, 232.082031 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: 1694000 3975.1357 20582.9801 14543.5258 236.4389 -203571.9150 2578.1220 0.0000 0.0000 51710.6076 -109945.1048 297.1816 -161655.7124 -109592.7470 297.9341 -23.0413 7.6761 760522.8517 8.0951 8.0353 PRESSURE: 1694200 -29.8017 55.8998 -184.568 55.8998 23.4727 -40.1478 -184.568 -40.1476 381.79 GPRESSURE: 1694200 -2.02395 14.5007 -131.716 182.92 131.884 -57.1595 -140.546 -55.5894 314.764 PRESSAVG: 1694200 -19.1153 -38.9291 29.3169 -38.9291 36.5925 13.172 29.3169 13.1719 25.8566 GPRESSAVG: 1694200 -20.3611 -38.9757 29.8941 -39.7514 37.1182 13.6762 28.2828 15.404 26.7842 TIMING: 1694200 CPU: 5425.06, 0.00313964/step Wall: 5425.06, 0.00313964/step, 2.88306 hours remaining, 232.082031 MB of memory in use. ENERGY: 1694200 3956.3212 20523.6825 14510.3824 254.5565 -203167.9915 2287.2306 0.0000 0.0000 51966.2704 -109669.5479 298.6509 -161635.8183 -109310.0216 299.2371 125.1535 148.2083 761067.4085 14.4446 14.5138 PRESSURE: 1694400 191.157 126.494 169.144 126.494 -242.144 260.898 169.145 260.899 -153.044 GPRESSURE: 1694400 180.167 42.6624 180.929 178.273 -166.291 306.334 153.38 103.062 -100.333 PRESSAVG: 1694400 28.6475 -15.8804 42.6474 -15.8803 -37.1656 41.702 42.6474 41.702 2.58027 GPRESSAVG: 1694400 28.7508 -15.7686 42.9472 -15.2061 -36.8296 40.1427 42.1104 39.8934 2.36923 TIMING: 1694400 CPU: 5425.7, 0.00318997/step Wall: 5425.7, 0.00318997/step, 2.9291 hours remaining, 232.082031 MB of memory in use. ENERGY: 1694400 4024.2762 20412.9928 14516.0535 245.6481 -203527.9584 2681.8828 0.0000 0.0000 51870.4021 -109776.7030 298.0999 -161647.1052 -109417.3416 298.7592 -68.0102 -28.8193 759990.8196 -1.9793 -1.9032 PRESSURE: 1694600 -47.4375 90.5924 33.1972 90.5922 -145.116 -40.2983 33.1974 -40.2983 -302.121 GPRESSURE: 1694600 -23.477 245.506 -7.50305 21.296 -136.471 -101.662 6.38712 -41.4962 -230.009 PRESSAVG: 1694600 19.3968 -78.9627 -37.216 -78.9627 16.7679 -10.3567 -37.2161 -10.3567 2.17094 GPRESSAVG: 1694600 19.0394 -80.1146 -38.6674 -78.7473 17.1768 -8.81738 -37.707 -7.21286 2.89634 TIMING: 1694600 CPU: 5426.33, 0.00315903/step Wall: 5426.33, 0.00315903/step, 2.90051 hours remaining, 232.082031 MB of memory in use. ENERGY: 1694600 3995.9141 20508.4506 14506.8770 223.0647 -203349.9568 2438.4753 0.0000 0.0000 52084.0491 -109593.1260 299.3277 -161677.1750 -109226.2620 298.6642 -164.8913 -129.9858 762287.4106 12.7785 13.0375 PRESSURE: 1694800 -37.9576 -119.646 38.77 -119.646 -355.299 -112.527 38.7701 -112.527 -18.6588 GPRESSURE: 1694800 -4.29534 -170.361 -11.2846 -82.5689 -294.776 -82.2478 -61.3119 -118.024 -10.9195 PRESSAVG: 1694800 41.4647 -17.871 23.3123 -17.8711 -87.8519 -37.7316 23.3122 -37.7315 4.74688 GPRESSAVG: 1694800 41.2008 -17.6487 23.5632 -17.0325 -87.4328 -37.6055 22.7033 -40.8508 4.64255 TIMING: 1694800 CPU: 5426.96, 0.00314916/step Wall: 5426.96, 0.00314916/step, 2.89128 hours remaining, 232.082031 MB of memory in use. ENERGY: 1694800 3969.4582 20363.4716 14551.4647 246.7551 -203235.6376 2499.9787 0.0000 0.0000 52074.4481 -109530.0613 299.2726 -161604.5094 -109154.0348 298.7951 -137.3050 -103.3303 760689.4411 -13.8801 -13.8631 PRESSURE: 1695000 -157.275 197.518 -0.893423 197.518 -7.99625 -7.08589 -0.893793 -7.08629 -278.108 GPRESSURE: 1695000 -92.2246 216.227 -65.2889 103.966 -5.63693 -12.1529 75.8786 114.952 -252.966 PRESSAVG: 1695000 25.257 -31.9404 -22.7477 -31.9404 21.0228 -41.7964 -22.7477 -41.7963 -15.4949 GPRESSAVG: 1695000 26.1505 -30.9298 -23.6729 -32.1885 20.8806 -42.6367 -21.7418 -39.6007 -16.118 TIMING: 1695000 CPU: 5427.59, 0.00315033/step Wall: 5427.59, 0.00315033/step, 2.89218 hours remaining, 232.082031 MB of memory in use. ENERGY: 1695000 4044.0526 20415.3314 14476.4989 238.9878 -203349.6180 2745.7296 0.0000 0.0000 52112.3882 -109316.6294 299.4906 -161429.0177 -108964.5674 299.0691 -147.7933 -116.9426 761955.7923 10.2617 10.3044 PRESSURE: 1695200 32.9431 -146.91 -59.1701 -146.909 -119.249 -183.563 -59.1703 -183.563 -252.164 GPRESSURE: 1695200 88.41 -60.0836 -146.951 -170.716 -128.197 -191.058 -48.761 -175.07 -204.298 PRESSAVG: 1695200 8.23923 -37.0661 -5.16167 -37.0662 -6.25191 -15.5021 -5.16171 -15.5021 24.1562 GPRESSAVG: 1695200 8.01975 -36.59 -3.94273 -38.3574 -7.53629 -13.7148 -6.35961 -16.7799 26.1889 TIMING: 1695200 CPU: 5428.22, 0.00313358/step Wall: 5428.22, 0.00313358/step, 2.87663 hours remaining, 232.082031 MB of memory in use. ENERGY: 1695200 4056.3241 20497.3162 14539.6175 244.9246 -203123.6411 2472.0942 0.0000 0.0000 52116.0733 -109197.2911 299.5118 -161313.3644 -108827.5843 299.0947 -112.8233 -81.3618 763099.1838 8.7145 8.8908 PRESSURE: 1695400 15.1273 -53.411 -16.759 -53.4118 356.88 51.0984 -16.7589 51.0973 242.066 GPRESSURE: 1695400 130.386 -146.584 -11.3426 34.4966 353.572 -54.4891 -69.6247 0.395296 226.736 PRESSAVG: 1695400 39.6377 -0.638385 4.22791 -0.638355 -47.4646 -42.7596 4.22788 -42.7596 13.4645 GPRESSAVG: 1695400 40.0125 -2.68119 4.15471 1.4894 -46.4309 -44.8014 4.64661 -42.4447 12.4888 TIMING: 1695400 CPU: 5428.86, 0.0031712/step Wall: 5428.86, 0.0031712/step, 2.91098 hours remaining, 232.082031 MB of memory in use. ENERGY: 1695400 3881.0851 20542.2544 14524.7950 222.6928 -203865.9892 3001.3477 0.0000 0.0000 52406.9060 -109286.9083 301.1832 -161693.8143 -108920.1248 299.8574 204.6910 236.8980 761763.5777 1.8792 2.0235 PRESSURE: 1695600 -87.6705 -87.9033 245.966 -87.9037 -20.6949 -137.886 245.966 -137.886 271.736 GPRESSURE: 1695600 -97.5817 -71.894 242.046 -103.849 44.561 -175.433 400.137 -88.8147 294.246 PRESSAVG: 1695600 68.354 -31.5127 14.691 -31.5127 -73.2463 -24.7755 14.691 -24.7754 3.80757 GPRESSAVG: 1695600 67.8683 -29.7321 14.469 -33.1235 -72.2178 -23.664 15.0371 -23.3376 3.50141 TIMING: 1695600 CPU: 5429.48, 0.00314057/step Wall: 5429.48, 0.00314057/step, 2.8827 hours remaining, 232.082031 MB of memory in use. ENERGY: 1695600 3966.9390 20492.7538 14574.8821 236.4126 -203306.0962 2549.5556 0.0000 0.0000 52002.5266 -109483.0265 298.8592 -161485.5531 -109117.8215 299.6797 54.4567 80.4084 761992.6169 -0.3616 -0.2827 PRESSURE: 1695800 -155.662 -115.799 66.5671 -115.799 -252.082 180.778 66.5686 180.779 -189.234 GPRESSURE: 1695800 -86.9223 -62.582 92.2908 -197.065 -202.226 198.29 100.381 153.706 -234.209 PRESSAVG: 1695800 29.7826 -1.15058 -18.4494 -1.15062 -24.8052 -30.8265 -18.4494 -30.8264 -15.8836 GPRESSAVG: 1695800 29.2652 0.607618 -19.6459 -3.2618 -25.2073 -30.8066 -17.2029 -31.3308 -15.717 TIMING: 1695800 CPU: 5430.11, 0.00313088/step Wall: 5430.11, 0.00313088/step, 2.87363 hours remaining, 232.082031 MB of memory in use. ENERGY: 1695800 3976.1171 20383.0436 14479.0420 252.3945 -203288.6065 2395.6641 0.0000 0.0000 52069.4533 -109732.8918 299.2439 -161802.3452 -109365.4804 298.8723 -198.9927 -174.4525 761422.5442 -3.6354 -3.8864 PRESSURE: 1696000 83.1671 76.1848 -142.13 76.1842 211.504 141.625 -142.13 141.625 -122.35 GPRESSURE: 1696000 201.75 117.702 -78.5582 45.7082 147.639 120.689 -236.666 104.081 -87.7436 PRESSAVG: 1696000 64.918 25.3487 -16.6965 25.3487 -37.0903 -33.1571 -16.6965 -33.1571 34.6278 GPRESSAVG: 1696000 66.0607 23.0271 -15.741 26.4411 -36.8691 -33.0379 -17.2249 -34.385 33.7518 TIMING: 1696000 CPU: 5430.74, 0.00315789/step Wall: 5430.74, 0.00315789/step, 2.89824 hours remaining, 232.082031 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: 1696000 4024.5967 20450.6368 14563.9850 244.0099 -203566.9231 2516.3418 0.0000 0.0000 52084.8373 -109682.5156 299.3323 -161767.3529 -109323.2232 298.4960 57.4403 87.2153 759762.0943 20.8185 20.9811 PRESSURE: 1696200 -232.788 -35.7906 -8.41537 -35.7893 -366.432 75.7075 -8.41546 75.7069 -239.533 GPRESSURE: 1696200 -198.491 -26.3949 -37.0866 -25.8825 -353.437 58.0926 48.3446 -17.3792 -222.269 PRESSAVG: 1696200 18.6566 -44.9515 16.5121 -44.9515 -5.62016 -30.6612 16.5121 -30.6612 -35.2856 GPRESSAVG: 1696200 18.4362 -45.0691 16.2988 -42.5698 -6.28046 -32.0068 16.0873 -30.05 -34.7753 TIMING: 1696200 CPU: 5431.38, 0.00318227/step Wall: 5431.38, 0.00318227/step, 2.92044 hours remaining, 232.082031 MB of memory in use. ENERGY: 1696200 3999.2860 20605.0889 14561.1743 274.9226 -203078.7162 2280.5235 0.0000 0.0000 51745.4896 -109612.2312 297.3820 -161357.7208 -109254.3862 298.8198 -279.5843 -258.0660 761846.3306 -7.4164 -7.5399 LDB: ============= START OF LOAD BALANCING ============== 5443.8 LDB: ============== END OF LOAD BALANCING =============== 5443.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5443.8 LDB: ============= START OF LOAD BALANCING ============== 5444.12 LDB: Largest compute 7069 load 0.033250 is 17.0% of average load 0.195379 LDB: Average compute 0.004413 is 2.3% of average load 0.195379 LDB: TIME 5444.12 LOAD: AVG 0.195379 MAX 0.215578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.945 MB LDB: TIME 5444.12 LOAD: AVG 0.195379 MAX 0.215578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.949 MB LDB: TIME 5444.12 LOAD: AVG 0.195379 MAX 0.215578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.949 MB LDB: ============== END OF LOAD BALANCING =============== 5444.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5444.13 PRESSURE: 1696400 -83.5181 231.647 -5.62685 231.647 127.351 -347.902 -5.62679 -347.902 -140.515 GPRESSURE: 1696400 4.26202 168.483 21.2768 199.439 136.629 -242.908 -43.8506 -400.323 -150.302 PRESSAVG: 1696400 21.4321 -30.0893 7.5945 -30.0892 -25.2165 -50.1222 7.59456 -50.1221 23.5692 GPRESSAVG: 1696400 21.3738 -29.056 7.85665 -32.6702 -25.0589 -50.4319 7.25007 -49.1557 23.026 TIMING: 1696400 CPU: 5432.02, 0.00322726/step Wall: 5432.02, 0.00322726/step, 2.96155 hours remaining, 232.339844 MB of memory in use. ENERGY: 1696400 4002.1417 20533.1221 14565.3320 238.9608 -202855.6843 2279.1237 0.0000 0.0000 51797.2354 -109439.7686 297.6794 -161237.0040 -109078.8446 298.9558 -32.2274 -3.1373 760462.4980 6.5950 6.4470 PRESSURE: 1696600 -352.449 -150.636 12.2755 -150.635 -518.315 -182.206 12.2754 -182.207 172.258 GPRESSURE: 1696600 -328.553 -156.915 -94.3825 -167.764 -461.472 -121.102 154.002 -91.8685 189.687 PRESSAVG: 1696600 15.1373 -67.8623 59.3631 -67.8624 -12.7216 -5.83272 59.363 -5.83275 -7.74609 GPRESSAVG: 1696600 13.1647 -68.7508 59.0397 -69.3247 -12.0023 -3.32088 59.1609 -6.92294 -6.21444 TIMING: 1696600 CPU: 5432.66, 0.00317251/step Wall: 5432.66, 0.00317251/step, 2.91113 hours remaining, 232.339844 MB of memory in use. ENERGY: 1696600 3988.0844 20596.9631 14540.4239 264.9239 -203279.1231 2327.3670 0.0000 0.0000 52002.2835 -109559.0773 298.8578 -161561.3607 -109201.0250 298.9343 -232.8353 -200.1126 761580.9269 -1.7768 -1.6840 PRESSURE: 1696800 -188.264 123.34 33.8052 123.34 15.5976 -275.944 33.8046 -275.944 -172.184 GPRESSURE: 1696800 -198.145 113.057 -38.8517 45.1476 88.5253 -296.675 -122.119 -104.769 -141.649 PRESSAVG: 1696800 -46.8035 -11.0155 72.8192 -11.0155 39.7251 -27.8529 72.8192 -27.8528 26.4538 GPRESSAVG: 1696800 -45.2779 -11.2699 72.444 -9.01052 40.1047 -29.6331 73.863 -26.6655 24.4594 TIMING: 1696800 CPU: 5433.29, 0.00316628/step Wall: 5433.29, 0.00316628/step, 2.90523 hours remaining, 232.339844 MB of memory in use. ENERGY: 1696800 4009.4054 20623.9891 14499.3367 253.9632 -203276.9230 2446.0971 0.0000 0.0000 52038.5680 -109405.5635 299.0664 -161444.1315 -109046.9710 298.9097 -114.9500 -83.7564 759169.0669 6.4585 6.4287 PRESSURE: 1697000 127.508 63.6186 -44.5826 63.6181 -93.8421 77.2744 -44.583 77.2746 -211.453 GPRESSURE: 1697000 89.6558 181.322 -9.36528 89.1645 -97.5802 76.4048 -131.577 43.5023 -95.3132 PRESSAVG: 1697000 10.3071 52.2097 -18.2706 52.2096 35.5762 32.3576 -18.2707 32.3575 13.6464 GPRESSAVG: 1697000 9.09294 52.9609 -16.3168 51.8876 35.2787 32.7708 -20.3496 31.6622 14.557 TIMING: 1697000 CPU: 5433.92, 0.00315793/step Wall: 5433.92, 0.00315793/step, 2.8974 hours remaining, 232.339844 MB of memory in use. ENERGY: 1697000 3944.3198 20466.3616 14566.6679 264.9651 -202881.0360 2199.8701 0.0000 0.0000 51984.6408 -109454.2107 298.7564 -161438.8515 -109091.8157 299.3807 -59.2624 -34.4125 758542.8248 19.8432 19.6429 PRESSURE: 1697200 -73.0716 138.934 -53.9334 138.934 -141.669 -107.667 -53.934 -107.667 -190.17 GPRESSURE: 1697200 -27.5768 109.209 7.34937 215.225 -103.734 -90.3229 -66.8718 -26.1892 -182.557 PRESSAVG: 1697200 -62.2889 66.6038 34.2485 66.6038 35.301 -15.5492 34.2485 -15.5492 5.78719 GPRESSAVG: 1697200 -61.4981 66.1947 30.6812 67.5715 33.9633 -16.0469 35.4769 -16.02 6.43958 TIMING: 1697200 CPU: 5434.56, 0.00316521/step Wall: 5434.56, 0.00316521/step, 2.90391 hours remaining, 232.339844 MB of memory in use. ENERGY: 1697200 4020.7449 20448.7788 14513.5684 244.8228 -203689.3252 2607.0487 0.0000 0.0000 52240.2671 -109614.0945 300.2255 -161854.3616 -109253.2223 298.8231 -134.9702 -104.6226 759511.8691 -7.0669 -7.0317 PRESSURE: 1697400 104.84 -175.738 -306.865 -175.737 270.195 156.849 -306.864 156.849 -7.84748 GPRESSURE: 1697400 147.156 -178.612 -337.405 -54.4271 297.113 53.2192 -273.211 176.758 -14.5516 PRESSAVG: 1697400 60.2857 -15.5432 -2.61268 -15.5433 -47.0108 -21.8414 -2.61272 -21.8414 6.96129 GPRESSAVG: 1697400 60.4428 -13.2187 -1.32815 -17.6559 -45.5785 -21.0477 -4.12573 -23.0836 5.68159 TIMING: 1697400 CPU: 5435.19, 0.00316138/step Wall: 5435.19, 0.00316138/step, 2.90022 hours remaining, 232.339844 MB of memory in use. ENERGY: 1697400 4029.1161 20584.7803 14484.3019 241.0901 -203668.6667 2601.6539 0.0000 0.0000 52086.9030 -109640.8214 299.3441 -161727.7245 -109276.8178 299.2249 122.3960 143.2390 759868.2064 6.7454 6.8486 PRESSURE: 1697600 -24.6823 24.7293 65.7299 24.7287 -54.3747 -111.063 65.7297 -111.062 -266.847 GPRESSURE: 1697600 -2.24572 28.0765 2.59323 -20.715 -38.4397 -78.6556 136.387 -99.4242 -234.846 PRESSAVG: 1697600 -3.80793 23.1606 -18.1128 23.1605 14.3216 -18.1833 -18.1129 -18.1832 -8.88485 GPRESSAVG: 1697600 -4.91025 23.38 -18.4479 22.9921 13.4696 -18.1628 -17.8905 -18.1416 -7.73175 TIMING: 1697600 CPU: 5435.82, 0.00316714/step Wall: 5435.82, 0.00316714/step, 2.90532 hours remaining, 232.339844 MB of memory in use. ENERGY: 1697600 3929.5255 20482.0479 14533.4186 238.1716 -203152.1919 2324.9006 0.0000 0.0000 52057.0867 -109587.0409 299.1728 -161644.1276 -109231.1996 298.7342 -115.3014 -91.8438 760642.3867 0.5429 0.2759 PRESSURE: 1697800 352.449 -7.88062 253.3 -7.88058 533.249 119.793 253.302 119.794 173.317 GPRESSURE: 1697800 378.67 60.0833 186.652 74.6928 581.45 81.8435 272.084 144.248 178.853 PRESSAVG: 1697800 13.3386 -15.3531 -2.19729 -15.3531 1.49258 -22.4903 -2.19733 -22.4903 23.6009 GPRESSAVG: 1697800 13.793 -17.2897 -1.75557 -14.1197 1.3372 -22.8347 -1.40697 -23.3788 23.1556 TIMING: 1697800 CPU: 5436.46, 0.00317322/step Wall: 5436.46, 0.00317322/step, 2.91073 hours remaining, 232.339844 MB of memory in use. ENERGY: 1697800 3962.6811 20530.4835 14531.1357 241.1787 -203424.0106 2741.0165 0.0000 0.0000 51943.7369 -109473.7782 298.5214 -161417.5151 -109110.2993 298.9013 353.0050 379.6577 759392.5897 12.8107 12.7619 PRESSURE: 1698000 -248.984 -188.902 45.4734 -188.902 87.9943 16.8944 45.4739 16.894 -94.587 GPRESSURE: 1698000 -189.684 -182.61 79.4967 -54.435 93.8194 1.67301 -30.6993 -42.8709 -85.1954 PRESSAVG: 1698000 -45.4508 30.7653 5.93323 30.7653 51.6461 -5.029 5.93331 -5.02897 14.6798 GPRESSAVG: 1698000 -45.1568 31.0517 5.73017 31.3855 50.3363 -5.63106 7.2326 -2.92139 15.2013 TIMING: 1698000 CPU: 5437.09, 0.00317105/step Wall: 5437.09, 0.00317105/step, 2.90856 hours remaining, 232.339844 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: 1698000 3936.1036 20546.2818 14569.5103 273.3318 -202831.1429 2009.9476 0.0000 0.0000 52032.9948 -109462.9730 299.0343 -161495.9678 -109097.4697 299.1422 -85.1921 -60.3534 761968.6973 6.9584 6.7936 PRESSURE: 1698200 -75.3724 68.8279 -8.23712 68.8272 -244.338 -133.018 -8.23868 -133.017 -165.148 GPRESSURE: 1698200 14.9367 22.4771 44.438 110.818 -199.119 -224.425 50.988 38.9202 -226.351 PRESSAVG: 1698200 -14.4404 -1.90432 13.0158 -1.90432 14.6437 -27.9759 13.0158 -27.9759 -6.46337 GPRESSAVG: 1698200 -13.9264 -1.92716 14.5182 -3.13599 14.9493 -28.6769 9.38985 -27.2082 -7.84576 TIMING: 1698200 CPU: 5437.72, 0.00314806/step Wall: 5437.72, 0.00314806/step, 2.88729 hours remaining, 232.339844 MB of memory in use. ENERGY: 1698200 3918.5872 20593.1929 14544.0482 266.6271 -203103.9928 2377.6334 0.0000 0.0000 52127.7303 -109276.1738 299.5788 -161403.9041 -108904.2289 299.3105 -161.6196 -136.8443 760758.3408 -2.0867 -2.2743 PRESSURE: 1698400 -197.603 -57.8111 -66.1603 -57.8118 -4.22384 65.6254 -66.1612 65.6259 -104.973 GPRESSURE: 1698400 -212.262 -109.172 -27.9716 -58.47 41.0516 50.7815 -141.262 33.6515 -26.6359 PRESSAVG: 1698400 38.2055 -4.13134 -13.1795 -4.13139 -59.0124 69.2082 -13.1795 69.2082 27.437 GPRESSAVG: 1698400 37.4169 -4.62453 -12.3051 -4.42348 -58.6007 70.14 -14.0925 67.6715 27.8719 TIMING: 1698400 CPU: 5438.35, 0.00316622/step Wall: 5438.35, 0.00316622/step, 2.90378 hours remaining, 232.339844 MB of memory in use. ENERGY: 1698400 3890.4038 20503.9045 14497.8946 246.3405 -203272.6483 2657.0120 0.0000 0.0000 52038.1009 -109438.9919 299.0637 -161477.0928 -109077.2027 299.5381 -102.2665 -65.9486 763246.8981 2.2100 2.2294 PRESSURE: 1698600 271.663 176.522 -73.6424 176.522 -199.566 144.409 -73.6423 144.41 94.891 GPRESSURE: 1698600 342.744 178.782 -68.6301 51.2979 -257.12 148.573 -76.7374 137.075 166.361 PRESSAVG: 1698600 61.172 -31.4703 -12.3846 -31.4703 11.2803 43.3833 -12.3845 43.3833 -40.1822 GPRESSAVG: 1698600 61.8618 -30.8088 -14.196 -31.5569 11.12 41.7665 -10.0212 45.2929 -40.751 TIMING: 1698600 CPU: 5438.99, 0.00316211/step Wall: 5438.99, 0.00316211/step, 2.89983 hours remaining, 232.339844 MB of memory in use. ENERGY: 1698600 3967.9688 20342.1482 14609.3889 231.0787 -203452.1228 2721.4477 0.0000 0.0000 52270.6676 -109309.4230 300.4002 -161580.0905 -108936.7984 299.4263 55.6625 83.9947 762430.5750 10.7567 10.7436 PRESSURE: 1698800 -10.0259 -274.523 168.524 -274.522 -282.181 -108.246 168.524 -108.246 117.995 GPRESSURE: 1698800 -0.953049 -181.949 104.554 -281.253 -191.348 -48.3166 192.018 -27.3679 123.776 PRESSAVG: 1698800 -2.46214 6.00693 -48.2667 6.00696 -34.074 26.7352 -48.2668 26.7352 6.94501 GPRESSAVG: 1698800 -3.34005 7.43962 -46.7157 5.14677 -33.7814 29.3378 -48.4537 24.3197 7.36736 TIMING: 1698800 CPU: 5439.62, 0.00317636/step Wall: 5439.62, 0.00317636/step, 2.91272 hours remaining, 232.339844 MB of memory in use. ENERGY: 1698800 4045.5751 20469.4738 14546.2630 227.3543 -203490.0482 2524.9405 0.0000 0.0000 52264.1807 -109412.2609 300.3630 -161676.4415 -109040.2126 299.4643 -58.0707 -22.8418 761760.5841 -9.8637 -9.9180 PRESSURE: 1699000 -228.972 -278.241 -142.251 -278.241 -550.183 96.5965 -142.251 96.5963 -113.75 GPRESSURE: 1699000 -145.948 -117.317 -61.0361 -230.099 -508.638 61.9713 -84.1173 112.088 -144.381 PRESSAVG: 1699000 -21.8843 -42.3702 -31.4572 -42.3703 15.2535 -26.7606 -31.4571 -26.7606 3.0005 GPRESSAVG: 1699000 -21.2378 -42.8155 -32.9494 -40.7953 14.4255 -28.1133 -30.199 -27.0698 3.26662 TIMING: 1699000 CPU: 5440.25, 0.0031672/step Wall: 5440.25, 0.0031672/step, 2.90415 hours remaining, 232.339844 MB of memory in use. ENERGY: 1699000 4020.3761 20454.9141 14504.8288 240.8194 -202754.1231 2100.1425 0.0000 0.0000 52209.9435 -109223.0986 300.0513 -161433.0421 -108854.0421 299.0953 -297.6351 -266.3225 763470.4778 -1.2101 -1.1819 PRESSURE: 1699200 -15.6055 32.794 -248.428 32.7932 -184.554 66.8742 -248.427 66.874 29.0572 GPRESSURE: 1699200 -97.9279 -7.60032 -216.234 10.2305 -117.743 26.4176 -88.0381 41.8495 137.954 PRESSAVG: 1699200 56.0634 -53.6267 26.504 -53.6267 -18.1801 3.22848 26.504 3.22843 -8.26797 GPRESSAVG: 1699200 56.6361 -53.2853 26.3845 -54.5177 -18.0667 5.07719 26.5784 4.39953 -8.58242 TIMING: 1699200 CPU: 5440.89, 0.0031675/step Wall: 5440.89, 0.0031675/step, 2.90425 hours remaining, 232.339844 MB of memory in use. ENERGY: 1699200 4023.5368 20426.6845 14521.2493 245.0007 -202970.9926 2523.9823 0.0000 0.0000 51990.2583 -109240.2806 298.7887 -161230.5390 -108874.7023 299.7449 -57.0342 -25.9058 763023.9711 9.8718 9.9957 PRESSURE: 1699400 -64.0999 -117.532 -190.61 -117.531 -245 100.207 -190.61 100.207 -136.138 GPRESSURE: 1699400 -38.1588 -85.0404 -200.776 -3.88551 -181.199 61.374 -108.551 71.0108 -149.888 PRESSAVG: 1699400 5.07164 -24.9006 -26.2185 -24.9005 37.6636 -8.37428 -26.2185 -8.37428 -5.80756 GPRESSAVG: 1699400 3.71902 -26.1281 -25.94 -23.9641 38.1326 -8.94267 -26.0736 -11.055 -5.54735 TIMING: 1699400 CPU: 5441.52, 0.00316765/step Wall: 5441.52, 0.00316765/step, 2.90421 hours remaining, 232.339844 MB of memory in use. ENERGY: 1699400 4024.7843 20597.7551 14608.9209 250.7945 -203129.2641 2514.2637 0.0000 0.0000 51802.6005 -109330.1452 297.7103 -161132.7457 -108967.3839 299.1312 -148.4129 -123.0819 762485.0972 12.3092 12.1014 PRESSURE: 1699600 -91.0157 -218.668 56.1486 -218.668 -186.511 267.901 56.1486 267.901 -695.672 GPRESSURE: 1699600 -44.7012 -200.899 93.2534 -157.801 -154.036 291.695 52.2055 118.656 -687.152 PRESSAVG: 1699600 -31.1483 -74.0219 -10.0923 -74.0219 62.8835 -41.0209 -10.0923 -41.0209 5.77735 GPRESSAVG: 1699600 -30.3273 -74.6859 -9.7464 -74.6108 62.6326 -41.3673 -11.5552 -38.0136 5.72069 TIMING: 1699600 CPU: 5442.15, 0.00316965/step Wall: 5442.15, 0.00316965/step, 2.90587 hours remaining, 232.339844 MB of memory in use. ENERGY: 1699600 3951.5461 20582.0724 14601.2436 250.8239 -203229.5662 2496.5052 0.0000 0.0000 52117.5579 -109229.8172 299.5203 -161347.3751 -108864.0079 299.1626 -324.3994 -295.2964 762730.1357 12.5042 12.6753 PRESSURE: 1699800 -188.993 70.5729 -57.7371 70.5729 -152.45 -82.456 -57.7379 -82.4552 -148.995 GPRESSURE: 1699800 -98.1222 -11.7831 -90.5171 105.715 -197.439 -54.7025 -77.645 -126.568 -104.714 PRESSAVG: 1699800 -8.15904 12.7877 12.3851 12.7878 -4.63065 -7.14464 12.3851 -7.14473 26.7979 GPRESSAVG: 1699800 -8.9217 13.119 12.2956 13.8584 -4.07314 -6.15869 12.3995 -7.11502 26.6089 TIMING: 1699800 CPU: 5442.79, 0.00318275/step Wall: 5442.79, 0.00318275/step, 2.9177 hours remaining, 232.339844 MB of memory in use. ENERGY: 1699800 4009.3355 20633.5794 14558.8745 236.6900 -203536.0553 2700.0513 0.0000 0.0000 52166.7305 -109230.7941 299.8029 -161397.5246 -108868.3341 299.3679 -163.4793 -133.4250 760509.6597 4.6694 4.5380 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700000 -113.351 -219.844 -110.625 -219.844 -42.1121 121.817 -110.625 121.818 -163.501 GPRESSURE: 1700000 -32.537 -184.582 -157.644 -140.337 -68.0249 98.3942 -95.7728 122.36 -120.769 PRESSAVG: 1700000 -38.9349 9.7678 18.1206 9.76781 21.5891 -5.21428 18.1206 -5.21424 6.88523 GPRESSAVG: 1700000 -37.9425 9.08496 18.2366 8.66493 19.9282 -5.96273 18.8279 -7.32996 8.16362 TIMING: 1700000 CPU: 5443.45, 0.00327118/step Wall: 5443.45, 0.00327118/step, 2.99858 hours remaining, 232.339844 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: 1700000 3952.4724 20628.9710 14560.3197 241.8108 -203572.1092 2597.6858 0.0000 0.0000 52160.6714 -109430.1782 299.7681 -161590.8496 -109068.8093 299.3384 -106.3214 -73.7769 762067.2049 -3.4869 -3.2835 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 PRESSURE: 1700200 161.586 -205.998 160.317 -205.997 109.461 26.8039 160.318 26.8055 -328.409 GPRESSURE: 1700200 184.48 -94.3969 226.571 -185.572 95.8853 73.5982 197.062 -42.8168 -276.582 PRESSAVG: 1700200 3.03428 -37.6739 -30.5486 -37.6739 -9.64333 -62.0876 -30.5485 -62.0877 5.82929 GPRESSAVG: 1700200 2.71526 -36.7588 -29.8019 -39.2042 -9.1264 -63.7957 -30.6148 -63.1848 5.49295 TIMING: 1700200 CPU: 5444.09, 0.0032066/step Wall: 5444.09, 0.0032066/step, 2.93921 hours remaining, 232.339844 MB of memory in use. ENERGY: 1700200 4010.4923 20572.2546 14505.9753 259.3810 -203463.3449 2521.3929 0.0000 0.0000 51985.9224 -109607.9264 298.7638 -161593.8488 -109250.3453 299.2797 -19.1207 1.2609 761363.2987 -0.2599 -0.3061 LDB: ============= START OF LOAD BALANCING ============== 5456.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5456.51 LDB: =============== DONE WITH MIGRATION ================ 5456.51 LDB: ============= START OF LOAD BALANCING ============== 5456.83 LDB: Largest compute 7047 load 0.033517 is 17.2% of average load 0.195371 LDB: Average compute 0.004417 is 2.3% of average load 0.195371 LDB: TIME 5456.83 LOAD: AVG 0.195371 MAX 0.214141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.91 MB LDB: TIME 5456.83 LOAD: AVG 0.195371 MAX 0.214141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: TIME 5456.83 LOAD: AVG 0.195371 MAX 0.214141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: ============== END OF LOAD BALANCING =============== 5456.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5456.84 PRESSURE: 1700400 -234.173 -93.1307 197.116 -93.1307 103.79 -92.0148 197.117 -92.0154 -47.1742 GPRESSURE: 1700400 -285.906 -58.021 254.673 -169.378 205.824 -60.3374 187.809 -70.7935 -26.844 PRESSAVG: 1700400 16.683 -25.3251 16.8046 -25.3251 23.5811 15.1643 16.8047 15.1642 6.53595 GPRESSAVG: 1700400 16.2308 -24.9257 17.6525 -24.2333 24.1437 17.002 15.9166 16.0989 6.31743 TIMING: 1700400 CPU: 5444.73, 0.00322435/step Wall: 5444.73, 0.00322435/step, 2.9553 hours remaining, 230.597656 MB of memory in use. ENERGY: 1700400 3940.5041 20759.2969 14632.4041 242.4010 -203128.5772 2281.8039 0.0000 0.0000 51656.5445 -109615.6226 296.8709 -161272.1671 -109253.9813 298.8161 -59.1857 -35.6420 759916.4396 15.6000 15.5640 PRESSURE: 1700600 1.66509 204.622 -143.144 204.622 -213.892 -96.4501 -143.145 -96.4501 -19.4763 GPRESSURE: 1700600 107.256 174.278 -151.497 210.24 -206.497 -59.1568 -60.2111 -167.239 -41.0463 PRESSAVG: 1700600 7.98413 4.16542 -6.33147 4.16545 -40.6015 27.1438 -6.33151 27.1438 20.4227 GPRESSAVG: 1700600 7.97148 2.37005 -7.91164 7.00541 -39.4204 27.3794 -5.02273 26.3061 19.7911 TIMING: 1700600 CPU: 5445.37, 0.00320448/step Wall: 5445.37, 0.00320448/step, 2.93691 hours remaining, 230.597656 MB of memory in use. ENERGY: 1700600 4064.7062 20507.3607 14590.4929 245.5443 -203329.2258 2322.2175 0.0000 0.0000 52035.0036 -109563.9007 299.0459 -161598.9043 -109209.9349 298.8825 -77.2346 -46.7624 758872.1254 -4.0649 -3.8859 PRESSURE: 1700800 432.073 -70.6564 -154.119 -70.6566 213.611 240.453 -154.118 240.453 43.5697 GPRESSURE: 1700800 509.948 -99.9506 -140.369 -17.9511 195.417 256.859 -269.39 188.417 58.4031 PRESSAVG: 1700800 -10.9494 -19.2797 -10.8084 -19.2797 18.2258 35.4246 -10.8084 35.4246 -22.2463 GPRESSAVG: 1700800 -10.6115 -19.1507 -11.2521 -21.2186 16.9537 34.6452 -11.9169 37.9835 -21.0959 TIMING: 1700800 CPU: 5446.01, 0.00318118/step Wall: 5446.01, 0.00318118/step, 2.91537 hours remaining, 230.597656 MB of memory in use. ENERGY: 1700800 4069.9931 20562.7293 14553.5057 257.0277 -203785.4362 2892.4396 0.0000 0.0000 52131.9948 -109317.7460 299.6033 -161449.7408 -108952.0796 299.0797 229.7510 254.5896 760190.6596 -4.9900 -4.9179 PRESSURE: 1701000 93.18 5.54369 -151.876 5.54427 -14.9494 236.81 -151.877 236.811 -2.0133 GPRESSURE: 1701000 52.6576 110.749 -187.622 -21.4754 85.4105 322.736 -6.30049 168.298 15.0408 PRESSAVG: 1701000 16.567 -18.8685 -49.4325 -18.8685 11.3591 17.5242 -49.4326 17.5242 -14.0834 GPRESSAVG: 1701000 15.8069 -16.3545 -48.669 -19.5357 12.8908 17.1311 -48.4335 16.417 -14.3973 TIMING: 1701000 CPU: 5446.64, 0.00315675/step Wall: 5446.64, 0.00315675/step, 2.89281 hours remaining, 230.597656 MB of memory in use. ENERGY: 1701000 3970.3352 20762.7112 14557.4162 232.8068 -203244.6189 2327.2630 0.0000 0.0000 52085.2549 -109308.8315 299.3347 -161394.0864 -108949.9121 299.5922 25.4057 51.0363 759738.2106 4.6142 4.7668 PRESSURE: 1701200 -50.7456 186.78 76.2984 186.78 -175.516 -41.3756 76.2987 -41.3751 617.215 GPRESSURE: 1701200 48.7985 194.128 117.347 151.108 -148.702 24.8045 -21.8506 -111.781 567.113 PRESSAVG: 1701200 -22.6106 -42.4138 7.06226 -42.4138 -13.9479 -8.22471 7.06232 -8.22474 6.51491 GPRESSAVG: 1701200 -21.3276 -43.2474 6.8784 -41.3417 -15.0627 -7.85984 6.46877 -7.79751 6.45127 TIMING: 1701200 CPU: 5447.28, 0.0031809/step Wall: 5447.28, 0.0031809/step, 2.91476 hours remaining, 230.597656 MB of memory in use. ENERGY: 1701200 4049.5802 20300.8196 14608.2878 254.6993 -203240.4311 2453.3246 0.0000 0.0000 52191.3453 -109382.3744 299.9444 -161573.7197 -109010.9488 298.9492 130.3180 155.7366 760638.1097 -10.0145 -9.9797 PRESSURE: 1701400 355.371 -148.402 -90.1593 -148.403 274.405 102.239 -90.1594 102.239 288.303 GPRESSURE: 1701400 364.267 -197.111 -54.9891 -267.733 309.539 143.614 -48.473 33.8655 331.556 PRESSAVG: 1701400 -7.50847 -59.8683 -2.35911 -59.8683 35.0893 -16.9867 -2.35918 -16.9867 4.05179 GPRESSAVG: 1701400 -8.89262 -60.2323 -1.4347 -60.0323 36.9457 -17.2106 -1.62235 -17.9738 3.51071 TIMING: 1701400 CPU: 5447.91, 0.00319001/step Wall: 5447.91, 0.00319001/step, 2.92293 hours remaining, 230.597656 MB of memory in use. ENERGY: 1701400 3929.9447 20770.1584 14418.1530 249.3945 -203707.6328 2870.9946 0.0000 0.0000 52060.8161 -109408.1715 299.1942 -161468.9876 -109059.2751 299.6494 306.0264 335.1205 759580.7537 10.5442 10.5213 PRESSURE: 1701600 -75.2483 -31.3115 20.0643 -31.3119 235.995 24.0019 20.0639 24.0021 449.224 GPRESSURE: 1701600 32.3207 -56.6347 -50.9898 -111.571 186.509 34.4638 -30.9622 125.314 486.057 PRESSAVG: 1701600 -36.393 -38.6554 18.9478 -38.6554 -13.1879 4.23812 18.9478 4.23813 17.9751 GPRESSAVG: 1701600 -35.5901 -39.0008 18.0439 -39.9506 -14.8178 3.26821 19.3887 3.8891 18.918 TIMING: 1701600 CPU: 5448.56, 0.00320744/step Wall: 5448.56, 0.00320744/step, 2.93873 hours remaining, 230.597656 MB of memory in use. ENERGY: 1701600 3896.1466 20500.1688 14564.8645 251.3090 -203659.3386 2817.2367 0.0000 0.0000 52217.0507 -109412.5623 300.0921 -161629.6130 -109044.9727 298.7400 203.3237 234.9623 760510.2861 -10.5353 -10.4966 PRESSURE: 1701800 51.5268 63.4514 100.577 63.4518 -258.168 -233.532 100.576 -233.533 24.1703 GPRESSURE: 1701800 158.723 -41.799 95.1805 45.1594 -238.357 -210.541 192.988 -254.56 -29.5457 PRESSAVG: 1701800 12.5583 22.4311 -21.6731 22.4312 -34.0925 23.6567 -21.673 23.6566 -0.905193 GPRESSAVG: 1701800 12.8214 22.5562 -21.9081 23.9981 -34.09 22.2506 -22.3961 25.709 -1.25265 TIMING: 1701800 CPU: 5449.2, 0.0031971/step Wall: 5449.2, 0.0031971/step, 2.92908 hours remaining, 230.597656 MB of memory in use. ENERGY: 1701800 3974.7340 20491.0961 14536.4226 257.5888 -203244.2939 2420.4453 0.0000 0.0000 52088.1570 -109475.8501 299.3514 -161564.0071 -109098.2814 299.0820 -60.8237 -36.3931 761240.9715 -7.4798 -7.5071 PRESSURE: 1702000 34.7246 -226.159 59.0276 -226.159 -80.1067 162.629 59.0272 162.628 88.1544 GPRESSURE: 1702000 56.2544 -138.015 11.1577 -69.5553 -97.424 197.867 18.7154 120.022 155.486 PRESSAVG: 1702000 4.33284 12.0055 9.91693 12.0055 -29.948 -32.0192 9.91693 -32.0192 19.9093 GPRESSAVG: 1702000 5.00195 12.8301 12.0831 11.1358 -30.5698 -30.0015 10.743 -32.9231 20.0518 TIMING: 1702000 CPU: 5449.84, 0.00319911/step Wall: 5449.84, 0.00319911/step, 2.93074 hours remaining, 230.597656 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: 1702000 3938.9847 20632.1130 14492.6968 249.1809 -202966.6254 2273.9004 0.0000 0.0000 51950.8849 -109428.8648 298.5624 -161379.7497 -109070.9320 298.6429 14.2574 38.1055 762795.8874 -1.9020 -1.8387 PRESSURE: 1702200 -19.5882 -12.4896 -234.804 -12.4896 -164.905 68.9286 -234.803 68.9292 -406.051 GPRESSURE: 1702200 18.2574 24.1351 -189.388 -51.8511 -214.371 86.2679 -196.149 -10.6888 -324.012 PRESSAVG: 1702200 -26.3608 11.3112 10.8873 11.3112 45.6694 8.15663 10.8873 8.15664 7.8193 GPRESSAVG: 1702200 -27.2354 11.2531 11.2285 11.5911 46.2829 7.20766 8.74565 8.21013 8.26487 TIMING: 1702200 CPU: 5450.48, 0.00320233/step Wall: 5450.48, 0.00320233/step, 2.93351 hours remaining, 230.597656 MB of memory in use. ENERGY: 1702200 3953.0481 20480.9018 14591.7444 241.8569 -203580.2094 2691.2104 0.0000 0.0000 51953.3212 -109668.1267 298.5765 -161621.4478 -109309.1530 298.5426 -196.8480 -173.3752 760992.2889 9.0426 9.1041 PRESSURE: 1702400 -71.2918 -154.045 -20.6594 -154.044 -83.8779 65.1637 -20.6594 65.1628 -159.013 GPRESSURE: 1702400 -45.3377 -133.799 13.1185 -66.1438 -107.271 194.89 63.0467 167.127 -72.7356 PRESSAVG: 1702400 21.7201 2.56043 12.9044 2.56035 -65.6661 42.1378 12.9043 42.1378 22.4296 GPRESSAVG: 1702400 22.3737 3.10217 10.5975 3.93127 -66.5134 43.6932 13.9591 42.3649 22.7537 TIMING: 1702400 CPU: 5451.11, 0.0031496/step Wall: 5451.11, 0.0031496/step, 2.88503 hours remaining, 230.597656 MB of memory in use. ENERGY: 1702400 3959.9347 20411.8445 14601.0125 227.5204 -203494.2309 2506.4096 0.0000 0.0000 52061.7508 -109725.7584 299.1996 -161787.5092 -109356.7513 298.5764 -104.7276 -75.1148 761441.5773 -7.1721 -7.1287 PRESSURE: 1702600 -190.33 181.605 -172.055 181.605 -237.902 -31.6615 -172.056 -31.662 -462.895 GPRESSURE: 1702600 -182.828 41.1162 -110.209 136.798 -192.939 -57.7248 -94.8309 -111.973 -433.086 PRESSAVG: 1702600 -7.48105 6.00627 -3.53471 6.00624 9.27313 16.1778 -3.53472 16.1779 -8.94794 GPRESSAVG: 1702600 -8.17781 4.49958 -2.82823 6.12432 10.7162 17.0565 -2.83303 15.1068 -9.92224 TIMING: 1702600 CPU: 5451.74, 0.00317894/step Wall: 5451.74, 0.00317894/step, 2.91173 hours remaining, 230.597656 MB of memory in use. ENERGY: 1702600 3995.8341 20545.8794 14470.0170 248.8879 -203130.0132 2390.2658 0.0000 0.0000 51869.5828 -109609.5461 298.0952 -161479.1289 -109248.0252 298.9547 -297.0425 -269.6175 762176.8407 -2.3853 -2.4613 PRESSURE: 1702800 -79.6674 -60.4359 66.8375 -60.4365 7.40429 305.696 66.8372 305.697 41.0366 GPRESSURE: 1702800 -63.0193 -24.1842 -65.2104 -215.181 84.0771 274.697 88.8702 334.875 9.87063 PRESSAVG: 1702800 18.9082 -5.80434 -22.8797 -5.80435 -32.9797 0.879838 -22.8798 0.87988 6.75394 GPRESSAVG: 1702800 18.6392 -5.15765 -24.2236 -6.38907 -33.5135 -1.72284 -24.0752 2.29234 7.47092 TIMING: 1702800 CPU: 5452.37, 0.0031577/step Wall: 5452.37, 0.0031577/step, 2.8921 hours remaining, 230.597656 MB of memory in use. ENERGY: 1702800 3916.3531 20569.0050 14622.9565 238.6662 -203524.9125 2536.0359 0.0000 0.0000 51950.9701 -109690.9258 298.5629 -161641.8958 -109336.2806 298.6817 -10.4088 10.3095 760085.6656 -2.4392 -2.4678 PRESSURE: 1703000 -306.654 -221.6 -185.863 -221.6 -212.657 -152.324 -185.863 -152.324 -155.222 GPRESSURE: 1703000 -330.144 -275.477 -52.2658 -156.847 -123.534 -189.062 -139.807 -158.712 -133.075 PRESSAVG: 1703000 43.9046 33.2602 -26.5106 33.2602 -43.7906 29.1442 -26.5107 29.1443 -27.5351 GPRESSAVG: 1703000 43.5096 32.0909 -25.2463 33.3689 -43.3562 31.0456 -26.6635 26.9243 -27.1823 TIMING: 1703000 CPU: 5453.01, 0.00319675/step Wall: 5453.01, 0.00319675/step, 2.92769 hours remaining, 230.597656 MB of memory in use. ENERGY: 1703000 3989.7171 20563.7375 14466.4551 244.9782 -203420.1561 2620.1066 0.0000 0.0000 51899.0695 -109636.0921 298.2647 -161535.1616 -109280.9034 298.7058 -224.8444 -195.5843 761514.9132 -9.1404 -9.0096 PRESSURE: 1703200 -214.665 275.248 5.05788 275.247 -364.774 -224.772 5.05717 -224.772 185.571 GPRESSURE: 1703200 -281.364 202.47 -29.5987 301.168 -266.359 -180.577 24.5298 -33.9194 240.144 PRESSAVG: 1703200 -23.1649 9.58247 -8.67577 9.58248 47.093 -8.12898 -8.67574 -8.12899 9.88416 GPRESSAVG: 1703200 -22.9957 8.93461 -8.33642 8.95726 46.9267 -8.12021 -8.63888 -7.32988 10.2484 TIMING: 1703200 CPU: 5453.65, 0.00318455/step Wall: 5453.65, 0.00318455/step, 2.91634 hours remaining, 230.597656 MB of memory in use. ENERGY: 1703200 4052.1465 20392.8510 14580.3700 244.7400 -203397.1870 2490.1636 0.0000 0.0000 52017.4103 -109619.5055 298.9448 -161636.9158 -109258.6255 298.3313 -131.2892 -102.5265 759841.4916 11.2708 11.3932 PRESSURE: 1703400 -38.175 -180.137 -111.862 -180.137 -248.963 111.257 -111.863 111.257 91.3447 GPRESSURE: 1703400 62.2214 -145.5 -14.2452 -156.428 -218.655 82.1223 -86.5429 154.218 30.7209 PRESSAVG: 1703400 -32.838 29.696 19.8814 29.696 -18.7669 -16.9597 19.8814 -16.9597 6.64406 GPRESSAVG: 1703400 -32.0322 30.8818 20.2594 27.7974 -17.9963 -18.2245 20.2792 -15.8942 5.57359 TIMING: 1703400 CPU: 5454.28, 0.00317187/step Wall: 5454.28, 0.00317187/step, 2.90455 hours remaining, 230.597656 MB of memory in use. ENERGY: 1703400 3991.2406 20517.7477 14565.2548 226.4843 -203612.3494 2678.1104 0.0000 0.0000 52080.7165 -109552.7951 299.3086 -161633.5115 -109179.2367 299.3247 -65.2644 -41.9044 761192.8156 -14.9869 -14.8183 PRESSURE: 1703600 -290.308 154.458 -39.7295 154.458 -9.60029 21.7564 -39.7293 21.7555 -181.199 GPRESSURE: 1703600 -302.351 194.597 16.7002 58.8132 85.897 9.24142 5.06199 -10.2002 -179.884 PRESSAVG: 1703600 -59.5806 -13.5138 -21.622 -13.5138 57.4041 -15.1223 -21.622 -15.1223 -5.93922 GPRESSAVG: 1703600 -61.0097 -14.2193 -23.5162 -12.9436 57.7752 -15.2364 -20.9115 -13.7696 -4.96678 TIMING: 1703600 CPU: 5454.92, 0.00316946/step Wall: 5454.92, 0.00316946/step, 2.90217 hours remaining, 230.597656 MB of memory in use. ENERGY: 1703600 4015.9632 20424.8061 14556.5435 255.1229 -203654.5381 2717.3444 0.0000 0.0000 52163.5618 -109521.1962 299.7847 -161684.7580 -109158.2048 299.2236 -160.3691 -132.1127 761468.7929 -2.7052 -2.7338 PRESSURE: 1703800 155.603 -31.3998 -21.6469 -31.3997 60.2722 84.1301 -21.6466 84.1315 231.893 GPRESSURE: 1703800 167.236 2.35436 56.6794 30.1098 106.985 26.9257 15.4706 144.467 253.229 PRESSAVG: 1703800 -20.6982 -16.2478 -41.7274 -16.2478 13.9386 -1.35908 -41.7274 -1.35894 -4.51822 GPRESSAVG: 1703800 -20.4712 -17.578 -40.4236 -13.6373 13.9774 -0.0736528 -42.6892 -4.56487 -4.64371 TIMING: 1703800 CPU: 5455.55, 0.0031688/step Wall: 5455.55, 0.0031688/step, 2.90139 hours remaining, 230.597656 MB of memory in use. ENERGY: 1703800 3998.5997 20408.5264 14556.5223 260.3822 -203357.9212 2440.8548 0.0000 0.0000 52327.0604 -109365.9755 300.7243 -161693.0359 -109000.9026 299.3260 149.2563 175.8167 760841.8001 -3.7592 -3.7125 PRESSURE: 1704000 -126.674 -129.364 100.938 -129.363 44.4972 -2.08299 100.938 -2.08385 -105.431 GPRESSURE: 1704000 -14.0144 -102.663 107.368 -153.003 -20.349 -41.1111 143.864 -87.1307 -72.2349 PRESSAVG: 1704000 -0.698767 -7.16749 -8.32651 -7.16752 32.2498 20.9951 -8.32646 20.9951 1.0777 GPRESSAVG: 1704000 -0.788719 -6.7548 -8.50935 -7.59442 32.1032 20.4277 -8.55333 22.6313 1.50187 TIMING: 1704000 CPU: 5456.18, 0.00315843/step Wall: 5456.18, 0.00315843/step, 2.89172 hours remaining, 230.597656 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: 1704000 4105.5901 20587.8128 14594.7744 239.8567 -203931.6953 2863.7304 0.0000 0.0000 52166.3283 -109373.6027 299.8006 -161539.9310 -109013.9204 299.6588 -62.5359 -35.5328 759137.2938 10.8763 10.9388 PRESSURE: 1704200 -156.539 -82.5642 -78.0617 -82.5644 126.635 83.9029 -78.0621 83.9039 70.5338 GPRESSURE: 1704200 -5.71691 -47.3708 -73.69 -55.4192 142.611 168.731 -39.331 83.4863 -5.72296 PRESSAVG: 1704200 13.413 39.2485 15.7565 39.2485 -5.59834 -0.0963726 15.7565 -0.0963661 12.5257 GPRESSAVG: 1704200 13.6046 38.8472 14.6203 37.4015 -4.36679 -0.311972 16.422 -0.440171 11.1488 TIMING: 1704200 CPU: 5456.81, 0.00316034/step Wall: 5456.81, 0.00316034/step, 2.89329 hours remaining, 230.597656 MB of memory in use. ENERGY: 1704200 4058.6990 20380.8665 14554.2639 254.2420 -203814.2091 2791.2794 0.0000 0.0000 52456.8807 -109317.9775 301.4704 -161774.8582 -108957.0107 299.8048 13.5434 43.7236 760056.8918 6.7801 6.7956 LDB: ============= START OF LOAD BALANCING ============== 5469.24 LDB: ============== END OF LOAD BALANCING =============== 5469.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5469.24 LDB: ============= START OF LOAD BALANCING ============== 5469.56 LDB: Largest compute 7033 load 0.034700 is 17.8% of average load 0.195369 LDB: Average compute 0.004415 is 2.3% of average load 0.195369 LDB: TIME 5469.56 LOAD: AVG 0.195369 MAX 0.216537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.621 MB LDB: TIME 5469.56 LOAD: AVG 0.195369 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.719 MB LDB: TIME 5469.56 LOAD: AVG 0.195369 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.719 MB LDB: ============== END OF LOAD BALANCING =============== 5469.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5469.57 PRESSURE: 1704400 92.7295 -21.4525 -46.452 -21.4516 -173.739 94.8028 -46.4517 94.8028 -83.5871 GPRESSURE: 1704400 73.3373 -59.5977 -68.6066 -4.01742 -129.262 116.087 17.8341 195.696 -11.0218 PRESSAVG: 1704400 -0.830281 15.6984 -20.349 15.6984 -3.4837 -6.75677 -20.349 -6.75671 -25.9952 GPRESSAVG: 1704400 -1.83018 16.5988 -19.7646 16.5557 -3.9053 -5.88318 -20.3901 -4.4505 -24.3884 TIMING: 1704400 CPU: 5457.47, 0.00325273/step Wall: 5457.47, 0.00325273/step, 2.97769 hours remaining, 231.109375 MB of memory in use. ENERGY: 1704400 4125.6591 20535.7454 14605.9171 233.0786 -203554.7310 2630.0675 0.0000 0.0000 52066.6111 -109357.6522 299.2275 -161424.2633 -109002.4673 299.8607 -54.8655 -22.3154 760553.0035 -10.1031 -10.0413 PRESSURE: 1704600 177.916 62.1194 86.3009 62.1194 231.261 71.5199 86.3013 71.5208 -164.899 GPRESSURE: 1704600 236.026 88.3349 45.8922 -22.3494 274.581 110.944 35.2995 79.6068 -161.895 PRESSAVG: 1704600 30.5474 24.8954 12.7152 24.8953 -32.7135 8.42943 12.7152 8.42943 2.89688 GPRESSAVG: 1704600 30.9778 24.9782 13.3924 24.8475 -31.7932 9.04495 13.0511 7.67271 1.20788 TIMING: 1704600 CPU: 5458.11, 0.00319928/step Wall: 5458.11, 0.00319928/step, 2.92859 hours remaining, 231.109375 MB of memory in use. ENERGY: 1704600 4022.2730 20468.8159 14545.7664 250.2240 -203279.5319 2610.9456 0.0000 0.0000 52146.0165 -109235.4905 299.6839 -161381.5070 -108870.7870 299.7664 81.4257 116.2374 762156.3322 0.2436 0.1308 PRESSURE: 1704800 -141.742 -77.2127 68.4644 -77.2122 -144.309 256.445 68.4638 256.445 -86.3695 GPRESSURE: 1704800 -83.9811 30.3767 2.17584 -37.0344 -68.5979 210.131 -77.8555 402.133 -128.423 PRESSAVG: 1704800 -31.7614 45.5923 11.3457 45.5924 11.3353 -7.89148 11.3458 -7.89145 -28.1034 GPRESSAVG: 1704800 -31.0933 46.3756 10.1679 44.6915 10.9727 -8.55968 11.3192 -9.27849 -28.0316 TIMING: 1704800 CPU: 5458.75, 0.00320568/step Wall: 5458.75, 0.00320568/step, 2.93426 hours remaining, 231.109375 MB of memory in use. ENERGY: 1704800 3959.3114 20489.1257 14558.5968 259.5515 -203405.5128 2563.4965 0.0000 0.0000 52342.0494 -109233.3814 300.8105 -161575.4309 -108866.4248 299.6728 -124.1403 -93.6673 762303.6247 -16.1765 -16.0507 PRESSURE: 1705000 -203.889 -80.2043 -18.2546 -80.2046 -143.894 35.9827 -18.2547 35.9836 -84.7999 GPRESSURE: 1705000 -133.757 -117.289 -21.1321 -82.8955 -140.576 37.8684 -110.873 6.50146 -79.4066 PRESSAVG: 1705000 -38.3174 25.5303 -24.7524 25.5303 23.6232 -8.75188 -24.7524 -8.75189 14.1917 GPRESSAVG: 1705000 -37.6354 24.9511 -24.1357 27.0843 21.6593 -8.68775 -28.7972 -8.08518 15.1864 TIMING: 1705000 CPU: 5459.38, 0.0031818/step Wall: 5459.38, 0.0031818/step, 2.91223 hours remaining, 231.109375 MB of memory in use. ENERGY: 1705000 4014.3526 20493.5003 14512.7637 258.0370 -203190.0345 2562.7701 0.0000 0.0000 52030.9836 -109317.6270 299.0228 -161348.6106 -108970.0955 299.6430 -144.1945 -117.9132 760737.3932 -0.1675 -0.2632 PRESSURE: 1705200 -326.712 254.618 1.76534 254.618 15.8665 -81.311 1.76559 -81.312 -448.473 GPRESSURE: 1705200 -278.23 133.502 1.58639 202.175 -56.0791 -131.158 -98.339 -61.7667 -346.24 PRESSAVG: 1705200 -30.1097 7.73756 -5.49887 7.73756 -7.65888 6.32822 -5.49883 6.32819 0.430555 GPRESSAVG: 1705200 -30.2035 6.55795 -5.32336 7.08362 -7.07573 5.74506 -4.53605 8.39323 -0.136461 TIMING: 1705200 CPU: 5460.02, 0.00318304/step Wall: 5460.02, 0.00318304/step, 2.91319 hours remaining, 231.109375 MB of memory in use. ENERGY: 1705200 4047.6838 20647.8383 14512.7720 239.1347 -203036.8586 2486.8286 0.0000 0.0000 51907.6589 -109194.9423 298.3140 -161102.6012 -108842.5998 299.1312 -253.1060 -226.8496 764385.1889 -12.4460 -12.4719 PRESSURE: 1705400 -27.2515 115.948 -10.0724 115.948 -283.686 -1.84458 -10.0729 -1.84451 216.613 GPRESSURE: 1705400 -57.8165 155.979 17.4685 95.9703 -214.12 71.2861 57.1164 -131.38 258.159 PRESSAVG: 1705400 -49.6919 -33.0006 -39.3805 -33.0006 40.2536 -8.94421 -39.3804 -8.94416 14.9481 GPRESSAVG: 1705400 -49.5454 -32.4814 -37.489 -33.3895 39.7765 -8.30234 -37.0755 -11.2163 14.9171 TIMING: 1705400 CPU: 5460.65, 0.0031616/step Wall: 5460.65, 0.0031616/step, 2.89339 hours remaining, 231.109375 MB of memory in use. ENERGY: 1705400 4003.3785 20624.7187 14592.0440 253.7726 -203241.0974 2565.7850 0.0000 0.0000 52005.6682 -109195.7304 298.8773 -161201.3986 -108837.6447 298.9431 -31.4414 -4.5926 762051.6414 1.8366 1.7161 PRESSURE: 1705600 92.2512 42.2354 116.754 42.2351 -124.215 114.86 116.753 114.861 -235.89 GPRESSURE: 1705600 130.656 90.0253 75.2169 97.1469 -89.6712 35.7027 116.496 169.749 -229.365 PRESSAVG: 1705600 10.579 -25.4036 10.5846 -25.4036 -0.825302 8.25619 10.5847 8.25624 2.371 GPRESSAVG: 1705600 10.7685 -25.7798 8.62999 -23.4983 -0.892676 7.53668 10.8055 9.27995 2.23175 TIMING: 1705600 CPU: 5461.28, 0.00315833/step Wall: 5461.28, 0.00315833/step, 2.89022 hours remaining, 231.109375 MB of memory in use. ENERGY: 1705600 4049.5464 20473.8228 14621.6976 269.4235 -203676.6031 2839.2210 0.0000 0.0000 52073.4760 -109349.4157 299.2670 -161422.8916 -108979.9461 299.6460 -89.2846 -62.7934 761671.7333 4.0416 4.0359 PRESSURE: 1705800 -165.285 -35.3544 -33.4689 -35.3553 -274.059 -113.846 -33.4678 -113.846 1.24248 GPRESSURE: 1705800 -36.5503 -165.575 -32.5947 -66.3289 -327.525 -209.617 90.8086 -152.997 16.3623 PRESSAVG: 1705800 -1.93797 5.26611 -19.6274 5.26607 26.4395 -8.92882 -19.6274 -8.92882 10.0711 GPRESSAVG: 1705800 -3.22071 4.66587 -20.2269 4.01237 27.2616 -8.27515 -18.7513 -9.78133 11.1387 TIMING: 1705800 CPU: 5461.91, 0.00313509/step Wall: 5461.91, 0.00313509/step, 2.86878 hours remaining, 231.109375 MB of memory in use. ENERGY: 1705800 3990.0340 20555.2888 14566.2482 238.9663 -203651.2113 2710.4592 0.0000 0.0000 52165.0726 -109425.1422 299.7934 -161590.2148 -109063.1398 299.4615 -146.0337 -115.9044 761269.1464 11.5242 11.7265 PRESSURE: 1706000 -162.229 -80.5078 98.399 -80.507 1.27837 65.6712 98.3993 65.6714 57.9198 GPRESSURE: 1706000 -68.5592 1.30278 154.487 34.5587 -33.9542 96.6465 130.853 126.932 71.0206 PRESSAVG: 1706000 36.8849 -15.7018 42.5066 -15.7018 -48.664 4.57578 42.5066 4.57581 24.3883 GPRESSAVG: 1706000 35.7056 -12.9292 43.9985 -17.4659 -47.2935 4.94221 38.7884 2.22125 24.0727 TIMING: 1706000 CPU: 5462.54, 0.00316625/step Wall: 5462.54, 0.00316625/step, 2.89712 hours remaining, 231.109375 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: 1706000 4019.0245 20487.2441 14578.0749 251.3157 -203678.5574 2537.9761 0.0000 0.0000 52244.3917 -109560.5303 300.2492 -161804.9220 -109193.7459 299.3505 -34.3435 -10.4976 761521.4832 4.2031 4.1616 PRESSURE: 1706200 -155.333 19.9 -23.6315 19.9 17.5479 333.139 -23.632 333.139 -237.582 GPRESSURE: 1706200 -130.232 45.6762 -69.1443 -30.2546 53.5106 263.11 -10.288 297.151 -208.988 PRESSAVG: 1706200 -23.1909 -40.3148 16.0911 -40.3149 29.0889 18.8221 16.091 18.8221 -15.3808 GPRESSAVG: 1706200 -21.4059 -40.3266 15.8644 -39.7851 27.0166 19.513 19.2709 20.1457 -14.5638 TIMING: 1706200 CPU: 5463.18, 0.00316079/step Wall: 5463.18, 0.00316079/step, 2.89195 hours remaining, 231.109375 MB of memory in use. ENERGY: 1706200 3999.5271 20650.8507 14511.1169 235.7514 -204063.4637 2931.0529 0.0000 0.0000 52153.1208 -109582.0438 299.7247 -161735.1646 -109214.5313 299.0497 -125.1225 -95.2367 760523.0824 -3.1609 -2.9844 PRESSURE: 1706400 42.7209 38.89 -71.44 38.89 -35.8841 -107.011 -71.4386 -107.009 20.6419 GPRESSURE: 1706400 60.5399 -21.2465 -75.6669 -92.0968 -48.0686 -100.995 -126.447 23.4422 110.163 PRESSAVG: 1706400 -3.92022 -20.0572 26.0511 -20.0572 -9.95928 -11.6644 26.0511 -11.6644 -13.902 GPRESSAVG: 1706400 -3.68566 -21.539 24.0109 -19.8387 -8.20253 -12.0043 25.4006 -10.1247 -15.9872 TIMING: 1706400 CPU: 5463.81, 0.00316457/step Wall: 5463.81, 0.00316457/step, 2.89523 hours remaining, 231.109375 MB of memory in use. ENERGY: 1706400 3981.6098 20673.4228 14559.0531 264.2512 -203686.1824 2815.0140 0.0000 0.0000 51947.5153 -109445.3162 298.5431 -161392.8315 -109080.6458 299.5179 9.1596 40.8781 761145.1554 -9.2605 -9.2918 PRESSURE: 1706600 96.3057 -146.764 -3.04876 -146.764 -89.7765 40.3843 -3.04879 40.3832 -361.118 GPRESSURE: 1706600 81.5763 -91.6175 7.12462 -116.731 -62.2122 121.292 11.1773 -12.1753 -279.873 PRESSAVG: 1706600 29.1231 -19.195 62.3847 -19.195 11.3622 8.58812 62.3847 8.58818 8.50008 GPRESSAVG: 1706600 26.3734 -19.9799 62.7795 -18.5122 12.0845 7.64273 62.407 9.10535 10.5545 TIMING: 1706600 CPU: 5464.44, 0.00315466/step Wall: 5464.44, 0.00315466/step, 2.88599 hours remaining, 231.109375 MB of memory in use. ENERGY: 1706600 4015.0757 20647.1992 14476.1157 246.1669 -203507.1930 2601.3043 0.0000 0.0000 51915.0307 -109606.3004 298.3564 -161521.3311 -109239.3515 299.2010 -118.1964 -86.8362 760478.6657 16.3285 16.3375 PRESSURE: 1706800 -153.445 -133.206 88.2211 -133.207 -348.683 108.677 88.2218 108.676 -66.863 GPRESSURE: 1706800 -170.263 -99.7435 39.2089 -82.6657 -326.543 177.17 26.1882 136.308 13.9709 PRESSAVG: 1706800 -59.3634 -19.6858 34.9452 -19.6858 14.133 -6.45133 34.9451 -6.45126 -12.3909 GPRESSAVG: 1706800 -56.7432 -16.7874 36.181 -20.078 12.7741 -4.69191 33.303 -6.75524 -12.8705 TIMING: 1706800 CPU: 5465.07, 0.00315143/step Wall: 5465.07, 0.00315143/step, 2.88286 hours remaining, 231.109375 MB of memory in use. ENERGY: 1706800 4026.4883 20614.3541 14559.3104 240.5910 -203531.4235 2593.6842 0.0000 0.0000 52099.2560 -109397.7395 299.4151 -161496.9956 -109039.5205 298.9593 -189.6635 -160.9448 762018.5022 -19.2071 -18.9465 PRESSURE: 1707000 81.818 -75.1273 -99.4905 -75.1266 -84.8113 -345.371 -99.4906 -345.371 57.9303 GPRESSURE: 1707000 28.4566 -84.6954 57.4672 -99.4083 94.8062 -346.576 -110.473 -197.118 7.52647 PRESSAVG: 1707000 2.07218 -10.0199 21.3065 -10.0199 -2.27055 55.7806 21.3065 55.7805 -3.30035 GPRESSAVG: 1707000 2.00637 -10.4469 22.3352 -11.1133 -2.55158 55.052 20.9087 56.3427 -3.03208 TIMING: 1707000 CPU: 5465.7, 0.00316161/step Wall: 5465.7, 0.00316161/step, 2.892 hours remaining, 231.109375 MB of memory in use. ENERGY: 1707000 3986.5955 20539.4430 14610.2499 257.0906 -203530.1941 2622.2330 0.0000 0.0000 51955.1595 -109559.4225 298.5870 -161514.5820 -109200.1942 299.2088 18.3123 43.5964 759345.1000 -1.1662 -1.1924 PRESSURE: 1707200 -178.397 74.6555 114.81 74.6556 -22.8687 -21.0775 114.809 -21.0766 400.377 GPRESSURE: 1707200 -114.797 135.541 89.3193 -2.2438 -28.2611 -63.6169 116.307 -99.2026 422.268 PRESSAVG: 1707200 -13.7946 -24.4266 40.5387 -24.4265 13.8609 -50.5803 40.5387 -50.5803 4.68999 GPRESSAVG: 1707200 -13.7977 -25.6926 39.3731 -22.8352 13.9248 -50.6857 41.189 -51.4151 4.22325 TIMING: 1707200 CPU: 5466.34, 0.00318485/step Wall: 5466.34, 0.00318485/step, 2.91308 hours remaining, 231.109375 MB of memory in use. ENERGY: 1707200 3927.6419 20483.6879 14517.8007 251.2195 -203308.1700 2682.4431 0.0000 0.0000 51968.6405 -109476.7365 298.6645 -161445.3770 -109108.5512 299.2857 66.3705 93.0700 761416.5818 1.5854 1.4501 PRESSURE: 1707400 77.9778 -120.335 170.475 -120.336 133.125 -155.247 170.475 -155.247 -29.6652 GPRESSURE: 1707400 108.471 -165.781 188.894 -74.917 121.829 -142.26 73.3962 -137.774 38.6176 PRESSAVG: 1707400 40.1495 -40.2945 65.0437 -40.2945 6.62405 -12.7638 65.0437 -12.7638 1.58316 GPRESSAVG: 1707400 39.7495 -40.1997 66.4974 -40.1174 6.56332 -13.5029 63.1714 -12.8301 2.0867 TIMING: 1707400 CPU: 5466.97, 0.0031522/step Wall: 5466.97, 0.0031522/step, 2.88303 hours remaining, 231.109375 MB of memory in use. ENERGY: 1707400 3930.7003 20493.8754 14508.9089 240.7524 -203834.8481 2683.9274 0.0000 0.0000 52265.2901 -109711.3934 300.3693 -161976.6836 -109351.4564 299.2427 60.4793 89.6392 758860.9744 16.1189 16.1332 PRESSURE: 1707600 81.3716 -120.101 50.8379 -120.1 -55.2726 58.8472 50.8382 58.8464 73.7179 GPRESSURE: 1707600 73.8306 -220.183 101.927 -83.6877 37.5288 95.9502 45.1791 -64.8736 59.7726 PRESSAVG: 1707600 50.5109 22.9262 15.9144 22.9261 -31.5197 -21.1426 15.9144 -21.1427 -21.4883 GPRESSAVG: 1707600 49.488 23.1615 13.7472 24.2769 -30.3142 -21.4517 16.06 -22.2672 -21.773 TIMING: 1707600 CPU: 5467.6, 0.00315412/step Wall: 5467.6, 0.00315412/step, 2.88462 hours remaining, 231.109375 MB of memory in use. ENERGY: 1707600 4013.4663 20637.0874 14530.2194 236.0195 -203273.1072 2397.2004 0.0000 0.0000 51976.7777 -109482.3365 298.7113 -161459.1142 -109127.7991 298.8871 33.2723 57.0440 760235.2374 -0.8324 -0.8664 PRESSURE: 1707800 129.297 -48.3806 -141.392 -48.3812 277.255 -295.48 -141.392 -295.479 -9.7377 GPRESSURE: 1707800 255.759 -109.252 -92.8754 -3.94685 289.639 -300.974 -132.717 -194.325 -66.1699 PRESSAVG: 1707800 -5.6329 13.0489 2.79214 13.049 -12.4712 -2.62958 2.79217 -2.62945 -14.5243 GPRESSAVG: 1707800 -4.46599 13.3143 2.94368 11.9814 -13.4325 0.0562026 4.84275 -2.76131 -14.9252 TIMING: 1707800 CPU: 5468.23, 0.00315711/step Wall: 5468.23, 0.00315711/step, 2.88718 hours remaining, 231.109375 MB of memory in use. ENERGY: 1707800 3983.0620 20436.6170 14570.3902 243.0067 -203521.2329 2658.3139 0.0000 0.0000 52042.8162 -109587.0269 299.0908 -161629.8431 -109229.6146 299.3350 132.2711 159.7426 760862.0946 -10.8761 -10.9412 PRESSURE: 1708000 175.634 -65.7178 98.6963 -65.7171 165.405 -63.9185 98.6959 -63.9174 648.482 GPRESSURE: 1708000 212.098 -9.47782 -10.7021 -46.863 233.795 -163.13 132.448 114.71 638.074 PRESSAVG: 1708000 -4.45409 -62.7135 11.3186 -62.7135 30.7294 -45.1856 11.3186 -45.1855 1.57304 GPRESSAVG: 1708000 -4.81312 -62.2529 12.1966 -63.8745 30.187 -48.0521 10.5391 -43.663 2.11265 TIMING: 1708000 CPU: 5468.87, 0.00317659/step Wall: 5468.87, 0.00317659/step, 2.90482 hours remaining, 231.109375 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: 1708000 3948.5550 20438.3484 14587.8476 241.3675 -203810.2219 2956.4859 0.0000 0.0000 51936.8294 -109700.7881 298.4817 -161637.6175 -109341.4958 298.2212 329.8401 361.3220 760468.7650 9.2828 9.1622 PRESSURE: 1708200 -239.325 -96.4037 -110.064 -96.4037 183.181 -0.518019 -110.064 -0.517229 -112.253 GPRESSURE: 1708200 -146.201 -151.141 -144.733 -35.0946 139.379 -9.60686 -101.928 3.53339 -77.7131 PRESSAVG: 1708200 4.55399 -3.25102 -23.4331 -3.25105 12.7465 25.1451 -23.4331 25.1451 -7.83168 GPRESSAVG: 1708200 2.75575 -3.42371 -22.8879 -1.2071 13.94 26.623 -23.8024 24.634 -7.59587 TIMING: 1708200 CPU: 5469.5, 0.00315871/step Wall: 5469.5, 0.00315871/step, 2.88829 hours remaining, 231.109375 MB of memory in use. ENERGY: 1708200 3938.0021 20451.4177 14488.7845 260.4600 -203225.3557 2427.7115 0.0000 0.0000 52032.0741 -109626.9059 299.0290 -161658.9800 -109274.7394 298.3100 -56.1323 -28.1784 760048.6472 3.1563 3.0333 LDB: ============= START OF LOAD BALANCING ============== 5481.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5481.92 LDB: =============== DONE WITH MIGRATION ================ 5481.92 LDB: ============= START OF LOAD BALANCING ============== 5482.24 LDB: Largest compute 7031 load 0.033269 is 17.0% of average load 0.195455 LDB: Average compute 0.004410 is 2.3% of average load 0.195455 LDB: TIME 5482.24 LOAD: AVG 0.195455 MAX 0.216871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.391 MB LDB: TIME 5482.24 LOAD: AVG 0.195455 MAX 0.216871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: TIME 5482.24 LOAD: AVG 0.195455 MAX 0.216871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: ============== END OF LOAD BALANCING =============== 5482.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5482.25 PRESSURE: 1708400 90.3658 -61.1273 30.6355 -61.1268 -130.371 -49 30.6366 -49.0012 121.242 GPRESSURE: 1708400 62.6882 -168.873 32.5842 55.5284 -42.4512 -91.8963 75.6296 24.762 141.524 PRESSAVG: 1708400 -9.11647 -24.8161 22.077 -24.8161 -3.08873 9.12232 22.077 9.12235 13.22 GPRESSAVG: 1708400 -8.58387 -26.4553 19.9256 -24.8217 -3.46947 8.0806 22.5253 9.27388 12.7147 TIMING: 1708400 CPU: 5470.14, 0.00320659/step Wall: 5470.14, 0.00320659/step, 2.93189 hours remaining, 232.453125 MB of memory in use. ENERGY: 1708400 4007.0160 20381.4946 14544.2335 231.5380 -203459.4015 2761.5455 0.0000 0.0000 51784.4968 -109749.0772 297.6062 -161533.5739 -109403.1579 298.2464 27.0788 53.9204 761999.5600 0.3383 0.2204 PRESSURE: 1708600 54.09 153.689 64.2065 153.69 14.3919 -1.09174 64.2063 -1.09284 297.951 GPRESSURE: 1708600 93.4247 185.878 97.0881 138.645 48.3244 -114.501 -10.3705 34.9699 321.05 PRESSAVG: 1708600 -29.1968 -17.9381 -7.20144 -17.9381 26.7977 37.5163 -7.20145 37.5163 -3.16131 GPRESSAVG: 1708600 -29.2832 -18.7875 -7.06628 -17.3462 26.4687 36.4452 -7.08926 38.2986 -3.17851 TIMING: 1708600 CPU: 5470.77, 0.00315947/step Wall: 5470.77, 0.00315947/step, 2.88863 hours remaining, 232.523438 MB of memory in use. ENERGY: 1708600 3958.4285 20412.8267 14500.2445 240.2634 -203522.0020 2795.2711 0.0000 0.0000 51944.8382 -109670.1296 298.5277 -161614.9678 -109305.5225 298.6167 122.1443 154.2662 760616.8231 -1.8535 -1.9977 PRESSURE: 1708800 -11.371 166.92 -21.7636 166.92 183.939 -188.863 -21.7638 -188.863 -158.325 GPRESSURE: 1708800 24.8667 100.464 -30.8753 157.683 235.762 -154.502 -12.9274 -182.705 -158.146 PRESSAVG: 1708800 -28.8817 56.533 29.8445 56.533 50.9113 -18.5786 29.8444 -18.5786 15.7592 GPRESSAVG: 1708800 -27.4816 57.0472 29.8891 56.9286 49.3465 -17.8107 30.9876 -19.4975 16.1799 TIMING: 1708800 CPU: 5471.4, 0.00316236/step Wall: 5471.4, 0.00316236/step, 2.8911 hours remaining, 232.523438 MB of memory in use. ENERGY: 1708800 4011.9290 20548.4642 14546.8752 247.4736 -203401.7931 2693.7066 0.0000 0.0000 51914.3576 -109438.9869 298.3525 -161353.3445 -109075.8084 298.6270 4.7477 34.1609 761159.3506 12.5963 12.6816 PRESSURE: 1709000 684.049 211.553 -33.2887 211.553 107.342 119.085 -33.2884 119.085 313.504 GPRESSURE: 1709000 589.612 222.874 -11.8498 77.3525 239.143 19.2379 -31.638 35.5265 364.907 PRESSAVG: 1709000 -42.3634 -29.6355 32.7048 -29.6356 27.8653 -25.5778 32.7048 -25.5778 4.26037 GPRESSAVG: 1709000 -43.9247 -29.1549 32.3957 -31.8714 29.1095 -25.2775 30.9014 -25.4054 4.64487 TIMING: 1709000 CPU: 5472.04, 0.00318338/step Wall: 5472.04, 0.00318338/step, 2.91014 hours remaining, 232.523438 MB of memory in use. ENERGY: 1709000 3958.2439 20246.5006 14529.0333 259.6852 -203397.0257 2816.3207 0.0000 0.0000 52124.3770 -109462.8650 299.5595 -161587.2420 -109098.9321 298.6656 368.2981 397.8873 761945.0193 -3.4126 -3.3901 PRESSURE: 1709200 -362.174 104.931 -58.3149 104.931 -31.7844 -9.91634 -58.3148 -9.91655 59.5307 GPRESSURE: 1709200 -200.775 143.053 -32.6237 212.505 -28.7155 -20.5676 -5.72015 58.1396 -7.84299 PRESSAVG: 1709200 -49.0731 -20.0845 37.118 -20.0844 59.9532 18.6721 37.118 18.672 -1.27245 GPRESSAVG: 1709200 -47.3634 -17.5911 36.9109 -21.9568 59.7843 18.4974 39.6596 20.606 -3.00554 TIMING: 1709200 CPU: 5472.68, 0.00319378/step Wall: 5472.68, 0.00319378/step, 2.91947 hours remaining, 232.523438 MB of memory in use. ENERGY: 1709200 3932.2975 20625.1357 14571.2676 268.8510 -203720.6674 2829.2978 0.0000 0.0000 51919.0986 -109574.7192 298.3798 -161493.8178 -109216.4247 298.9482 -111.4761 -79.1113 762461.2902 3.2025 3.1385 PRESSURE: 1709400 -73.5735 62.736 -132.987 62.7366 139.851 94.1139 -132.988 94.1142 43.1516 GPRESSURE: 1709400 -34.6684 66.4214 -145.061 103.065 191.342 56.3173 -94.0499 117.385 46.0982 PRESSAVG: 1709400 -4.35158 -9.19278 -7.85488 -9.19275 20.54 3.27304 -7.85494 3.27298 0.239779 GPRESSAVG: 1709400 -5.34484 -10.9419 -7.04533 -5.3358 19.7326 2.58306 -9.06964 2.70341 2.58345 TIMING: 1709400 CPU: 5473.32, 0.00317531/step Wall: 5473.32, 0.00317531/step, 2.90241 hours remaining, 232.523438 MB of memory in use. ENERGY: 1709400 3977.8874 20392.7409 14516.4746 241.4005 -203099.7767 2641.1708 0.0000 0.0000 51829.1894 -109500.9129 297.8631 -161330.1023 -109144.3955 298.3936 36.4763 67.5906 762992.3341 5.4761 5.6571 PRESSURE: 1709600 -444.729 67.3962 55.0261 67.3964 -410.313 -72.9487 55.0276 -72.9485 -42.2813 GPRESSURE: 1709600 -403.345 60.7054 -23.995 55.979 -282.7 7.59224 0.439905 1.15233 -121.717 PRESSAVG: 1709600 3.79998 9.02646 47.0346 9.02652 13.3938 55.4697 47.0345 55.4697 4.92879 GPRESSAVG: 1709600 3.40341 8.88283 47.4408 7.33333 15.6949 56.6741 47.5651 54.374 2.61857 TIMING: 1709600 CPU: 5473.95, 0.00316646/step Wall: 5473.95, 0.00316646/step, 2.89414 hours remaining, 232.523438 MB of memory in use. ENERGY: 1709600 4032.0183 20330.6028 14499.1354 259.9502 -202892.0191 2262.2359 0.0000 0.0000 52047.0388 -109461.0377 299.1150 -161508.0765 -109098.0601 298.3550 -299.1078 -269.2537 762249.2358 7.3742 7.2390 PRESSURE: 1709800 -78.6692 -111.521 289.197 -111.521 -350.921 -94.0829 289.197 -94.0838 -491.727 GPRESSURE: 1709800 -116.942 -197.099 209.459 -37.9255 -287.225 -79.587 301.208 -47.7388 -442.645 PRESSAVG: 1709800 -77.4615 12.3834 22.5092 12.3834 83.3683 25.0061 22.5093 25.0061 -9.15234 GPRESSAVG: 1709800 -77.6715 10.8721 22.2823 12.3544 81.5507 24.7982 20.4991 25.97 -7.32921 TIMING: 1709800 CPU: 5474.59, 0.00320225/step Wall: 5474.59, 0.00320225/step, 2.92668 hours remaining, 232.523438 MB of memory in use. ENERGY: 1709800 3934.1718 20564.9734 14459.0544 229.5095 -203078.7365 2332.4248 0.0000 0.0000 52098.0509 -109460.5517 299.4082 -161558.6026 -109096.4975 298.3202 -307.1059 -282.2703 761993.8759 -1.0818 -1.1500 PRESSURE: 1710000 190.801 -117.687 -547.165 -117.687 -380.874 -53.2066 -547.165 -53.2066 66.2638 GPRESSURE: 1710000 284.469 -59.4751 -555.374 -101.308 -271.191 -92.4187 -370.22 -125.243 -52.6258 PRESSAVG: 1710000 -21.8626 -24.2282 -5.64379 -24.2282 -13.7167 12.7008 -5.64371 12.7008 19.458 GPRESSAVG: 1710000 -20.8448 -21.5202 -5.73356 -23.6463 -12.7426 13.2664 -5.19635 11.4507 18.0094 TIMING: 1710000 CPU: 5475.22, 0.00317105/step Wall: 5475.22, 0.00317105/step, 2.89799 hours remaining, 232.523438 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: 1710000 3965.2802 20372.8146 14629.2597 236.0772 -203360.3560 2832.3092 0.0000 0.0000 51918.1848 -109406.4303 298.3745 -161324.6151 -109039.5201 298.4979 -41.2696 -13.1158 760485.5401 -5.3738 -5.1927 PRESSURE: 1710200 -68.3505 -111.295 -132.761 -111.294 -174.201 -27.8143 -132.761 -27.8142 -198.569 GPRESSURE: 1710200 13.1819 -85.2932 -42.2047 -135.307 -197.685 32.4344 -41.5482 40.7971 -182.399 PRESSAVG: 1710200 29.6324 -19.6463 -62.3198 -19.6462 -4.92937 -1.32486 -62.3197 -1.32487 8.95311 GPRESSAVG: 1710200 29.1284 -20.0514 -63.2527 -19.7253 -6.17595 -1.07493 -60.0219 0.703052 10.1599 TIMING: 1710200 CPU: 5475.86, 0.00317194/step Wall: 5475.86, 0.00317194/step, 2.89863 hours remaining, 232.523438 MB of memory in use. ENERGY: 1710200 3995.4980 20352.3715 14655.9366 247.0791 -203029.4532 2417.6981 0.0000 0.0000 52053.4349 -109307.4350 299.1518 -161360.8700 -108942.0234 298.5532 -147.0400 -122.3006 761302.0102 11.2187 11.0374 PRESSURE: 1710400 127.499 -313.609 14.7952 -313.609 -292.776 64.2068 14.795 64.2076 96.4456 GPRESSURE: 1710400 107.627 -308.826 -38.4331 -250.868 -147.619 85.5922 2.62389 -162.404 66.4358 PRESSAVG: 1710400 25.8839 -39.8961 0.00910795 -39.8961 -32.4357 19.2541 0.00916751 19.2542 0.782211 GPRESSAVG: 1710400 25.1566 -40.0787 0.881222 -40.7803 -31.1588 19.0097 -1.26961 17.0966 0.698497 TIMING: 1710400 CPU: 5476.5, 0.00319801/step Wall: 5476.5, 0.00319801/step, 2.92227 hours remaining, 232.523438 MB of memory in use. ENERGY: 1710400 3878.2266 20460.6328 14565.3625 247.5646 -203053.0451 2467.2417 0.0000 0.0000 51920.7010 -109513.3159 298.3890 -161434.0169 -109149.8881 299.1256 -22.9438 8.8146 762523.3121 -1.9232 -1.7679 PRESSURE: 1710600 -129.267 -80.8117 -18.1571 -80.8106 -357.01 83.7416 -18.157 83.7418 -356.54 GPRESSURE: 1710600 -97.1606 -89.3614 66.1689 -109.524 -387.265 50.4417 -162.944 62.751 -266.705 PRESSAVG: 1710600 26.5355 -89.7765 -22.8707 -89.7764 7.43737 -58.4543 -22.8707 -58.4543 10.8865 GPRESSAVG: 1710600 27.1225 -89.8247 -23.3227 -88.4014 6.40709 -59.3788 -23.5149 -56.906 11.1152 TIMING: 1710600 CPU: 5477.13, 0.00316709/step Wall: 5477.13, 0.00316709/step, 2.89384 hours remaining, 232.523438 MB of memory in use. ENERGY: 1710600 3966.1216 20517.2737 14569.1293 238.9283 -202970.0227 2372.8607 0.0000 0.0000 51885.7643 -109419.9448 298.1882 -161305.7091 -109062.1927 298.6015 -280.9390 -250.3771 761699.7512 14.9531 14.8816 PRESSURE: 1710800 79.2209 -31.3734 -9.25923 -31.3725 68.4097 164.131 -9.25974 164.13 315.533 GPRESSURE: 1710800 163.351 36.1666 -48.1686 -95.0765 91.0903 147.398 87.664 125.887 282.036 PRESSAVG: 1710800 10.5641 -12.8963 -0.00434158 -12.8963 -45.7205 16.2986 -0.00428004 16.2986 -2.3279 GPRESSAVG: 1710800 9.81241 -11.7662 -0.229141 -13.0006 -44.4817 17.0969 1.51509 16.6424 -2.74638 TIMING: 1710800 CPU: 5477.76, 0.00315887/step Wall: 5477.76, 0.00315887/step, 2.88616 hours remaining, 232.523438 MB of memory in use. ENERGY: 1710800 3938.6445 20395.6016 14508.4528 238.8632 -203117.6232 2505.7876 0.0000 0.0000 51832.7170 -109697.5566 297.8833 -161530.2735 -109344.7953 298.8080 154.3880 178.8255 761391.3701 -12.4948 -12.4719 PRESSURE: 1711000 277.086 -140.608 -203.322 -140.608 -11.9292 -12.1377 -203.322 -12.1378 78.0668 GPRESSURE: 1711000 360.207 -104.587 -145.914 -109.526 38.3605 -32.5122 -217.942 63.4869 53.5065 PRESSAVG: 1711000 93.9857 12.0426 -46.4515 12.0427 -77.9245 -34.2281 -46.4516 -34.2281 -6.01843 GPRESSAVG: 1711000 94.1991 10.7825 -46.5886 11.754 -78.2329 -31.8333 -47.8039 -36.1926 -6.36474 TIMING: 1711000 CPU: 5478.39, 0.00314246/step Wall: 5478.39, 0.00314246/step, 2.87098 hours remaining, 232.523438 MB of memory in use. ENERGY: 1711000 3977.2225 20440.1323 14557.4263 237.1725 -203428.8795 2529.1377 0.0000 0.0000 51956.9720 -109730.8162 298.5974 -161687.7883 -109374.5789 298.5357 114.4079 150.6914 759998.2801 3.3476 3.2005 PRESSURE: 1711200 -99.0004 151.878 -44.4933 151.878 74.8525 -24.3928 -44.4934 -24.3927 -433.605 GPRESSURE: 1711200 0.115047 106.092 -60.5127 37.4175 11.7835 -55.1166 67.3447 -123.413 -390.85 PRESSAVG: 1711200 49.7455 -4.49961 -41.7942 -4.49963 -25.6824 12.8691 -41.7942 12.8691 6.59251 GPRESSAVG: 1711200 49.9754 -3.08106 -41.2535 -4.03968 -26.8644 10.4347 -40.5314 15.7992 7.31435 TIMING: 1711200 CPU: 5479.03, 0.00318976/step Wall: 5479.03, 0.00318976/step, 2.91402 hours remaining, 232.523438 MB of memory in use. ENERGY: 1711200 3964.4890 20415.3119 14560.2586 232.2829 -203458.8321 2599.0728 0.0000 0.0000 51843.1926 -109844.2244 297.9435 -161687.4170 -109484.6208 298.1519 -152.5842 -126.3171 759591.4263 10.2185 10.1418 PRESSURE: 1711400 106.313 -20.5527 -198.955 -20.5526 -41.0072 -69.4559 -198.955 -69.4543 82.098 GPRESSURE: 1711400 184.621 33.9844 -147.508 86.2293 14.8836 -90.7182 -156.474 81.7451 24.9612 PRESSAVG: 1711400 48.5416 37.1941 -30.3417 37.1941 -64.6204 6.46169 -30.3418 6.46166 1.19084 GPRESSAVG: 1711400 50.0111 36.7833 -30.4222 37.5078 -65.3437 7.33062 -32.0317 2.05636 0.904081 TIMING: 1711400 CPU: 5479.67, 0.00318972/step Wall: 5479.67, 0.00318972/step, 2.91381 hours remaining, 232.523438 MB of memory in use. ENERGY: 1711400 3974.3283 20329.6473 14548.5909 243.2168 -203211.8185 2595.9782 0.0000 0.0000 51971.8059 -109548.2511 298.6827 -161520.0570 -109188.7519 298.5137 49.1347 74.8221 761258.9107 -4.9626 -4.8095 PRESSURE: 1711600 70.056 87.2407 -64.3782 87.2413 -113.128 94.1169 -64.3785 94.1176 -289.789 GPRESSURE: 1711600 18.2122 -15.9467 -9.12897 54.1744 -114.56 45.7116 -134.032 121.396 -175.963 PRESSAVG: 1711600 70.142 39.9128 -79.4102 39.9128 -50.6814 -33.762 -79.4102 -33.7621 13.5569 GPRESSAVG: 1711600 70.0312 40.0179 -79.2166 38.8134 -51.6125 -34.8651 -77.0541 -30.2616 14.1184 TIMING: 1711600 CPU: 5480.31, 0.00319634/step Wall: 5480.31, 0.00319634/step, 2.91968 hours remaining, 232.523438 MB of memory in use. ENERGY: 1711600 3986.6444 20522.6751 14547.5348 277.5539 -203039.4642 2423.1449 0.0000 0.0000 51580.4539 -109701.4572 296.4336 -161281.9111 -109344.8448 298.7672 -110.9534 -90.7702 760407.9768 11.0058 10.8457 PRESSURE: 1711800 341.716 -40.2089 149.863 -40.2093 179.361 3.43131 149.863 3.43187 -419.587 GPRESSURE: 1711800 299.617 -86.9491 103.735 23.2815 247.028 141.859 141.552 -64.6542 -351.137 PRESSAVG: 1711800 51.247 -3.90269 15.6542 -3.90272 -83.8294 24.0547 15.6542 24.0548 -19.7276 GPRESSAVG: 1711800 50.6425 -6.60446 14.7315 -1.66126 -81.0517 26.6401 16.0482 22.6754 -21.7668 TIMING: 1711800 CPU: 5480.94, 0.00318599/step Wall: 5480.94, 0.00318599/step, 2.91005 hours remaining, 232.523438 MB of memory in use. ENERGY: 1711800 4020.0830 20473.9889 14565.2670 261.8236 -203931.1353 2913.3508 0.0000 0.0000 51962.3096 -109734.3124 298.6281 -161696.6220 -109363.6346 298.5125 33.8299 65.1694 758966.0358 -17.4367 -17.3920 PRESSURE: 1712000 27.5195 66.696 -22.4886 66.6959 -190.538 -67.9866 -22.4878 -67.9856 289.723 GPRESSURE: 1712000 -1.76578 98.7746 -73.0325 -19.3384 -49.6753 -129.625 70.891 -175.948 259.911 PRESSAVG: 1712000 69.4383 23.6992 -31.366 23.6992 -29.4895 4.50915 -31.366 4.50916 8.63352 GPRESSAVG: 1712000 68.9406 24.5006 -31.2333 21.0414 -30.9069 1.668 -32.6387 4.7125 10.7824 TIMING: 1712000 CPU: 5481.58, 0.0031661/step Wall: 5481.58, 0.0031661/step, 2.8917 hours remaining, 232.523438 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: 1712000 4032.5514 20461.5519 14494.6080 244.0864 -203682.9467 2762.0799 0.0000 0.0000 52201.2974 -109486.7716 300.0016 -161688.0691 -109117.5284 298.9181 42.2349 69.4901 759102.0838 16.1941 16.2720 PRESSURE: 1712200 -48.0037 248.876 -16.5571 248.876 -463.044 -86.2283 -16.5574 -86.2279 -108.633 GPRESSURE: 1712200 -24.5968 185.11 36.0477 312.544 -396.859 -11.4645 -33.607 -90.441 -116.892 PRESSAVG: 1712200 60.75 30.7883 4.09617 30.7883 -9.28589 -2.10948 4.09612 -2.10956 -4.05447 GPRESSAVG: 1712200 61.03 30.8267 4.14244 32.5188 -8.5189 -0.943115 3.47662 -0.82406 -5.31035 TIMING: 1712200 CPU: 5482.21, 0.0031682/step Wall: 5482.21, 0.0031682/step, 2.89345 hours remaining, 232.523438 MB of memory in use. ENERGY: 1712200 4059.7764 20440.3434 14504.4702 254.7077 -203142.7431 2167.3626 0.0000 0.0000 52076.2586 -109639.8241 299.2830 -161716.0827 -109271.1910 298.9306 -206.5602 -179.4495 760066.6387 15.8032 15.7336 LDB: ============= START OF LOAD BALANCING ============== 5494.63 LDB: ============== END OF LOAD BALANCING =============== 5494.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5494.64 LDB: ============= START OF LOAD BALANCING ============== 5494.96 LDB: Largest compute 7033 load 0.037449 is 19.2% of average load 0.195360 LDB: Average compute 0.004412 is 2.3% of average load 0.195360 LDB: TIME 5494.96 LOAD: AVG 0.19536 MAX 0.213838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.742 MB LDB: TIME 5494.96 LOAD: AVG 0.19536 MAX 0.213838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.742 MB LDB: TIME 5494.96 LOAD: AVG 0.19536 MAX 0.213838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.742 MB LDB: ============== END OF LOAD BALANCING =============== 5494.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5494.97 PRESSURE: 1712400 -189.603 -140.389 18.0749 -140.389 -76.3151 195.289 18.074 195.29 -58.0775 GPRESSURE: 1712400 -215.813 -76.6518 -96.1844 -153.99 52.501 164.442 34.259 84.9838 -66.3734 PRESSAVG: 1712400 -4.96695 15.0177 -7.30312 15.0177 21.5777 16.9176 -7.30312 16.9176 18.4859 GPRESSAVG: 1712400 -4.46282 15.4832 -8.63821 16.3418 20.3816 15.5423 -7.88732 16.6542 19.0983 TIMING: 1712400 CPU: 5482.86, 0.00324925/step Wall: 5482.86, 0.00324925/step, 2.96729 hours remaining, 230.089844 MB of memory in use. ENERGY: 1712400 3987.9519 20493.7866 14468.2237 262.3085 -203489.3365 2589.0036 0.0000 0.0000 52151.9924 -109536.0698 299.7182 -161688.0622 -109172.6057 299.0442 -107.9986 -76.5619 759922.9014 11.6989 11.6724 PRESSURE: 1712600 253.396 -112.066 118.746 -112.064 -1.18936 -50.8057 118.746 -50.8064 -211.01 GPRESSURE: 1712600 183.561 -99.3967 46.9369 -5.14328 89.9861 -111.438 154.775 -102.422 -137.406 PRESSAVG: 1712600 37.225 -9.71733 -40.9598 -9.71737 4.09976 -10.6861 -40.9598 -10.6861 4.70266 GPRESSAVG: 1712600 35.1103 -11.0341 -38.5844 -11.3545 5.04327 -9.9867 -39.7149 -11.6475 5.26782 TIMING: 1712600 CPU: 5483.5, 0.00317985/step Wall: 5483.5, 0.00317985/step, 2.90373 hours remaining, 230.089844 MB of memory in use. ENERGY: 1712600 3975.6393 20610.0149 14521.4082 255.2515 -203511.7792 2584.7928 0.0000 0.0000 51984.9206 -109579.7519 298.7581 -161564.6726 -109224.0753 299.1447 13.7325 45.3803 759283.9383 15.3425 15.1405 PRESSURE: 1712800 -77.0373 87.4046 -117.841 87.404 79.6113 196.354 -117.842 196.353 -118.453 GPRESSURE: 1712800 -7.06247 202.446 -6.82152 53.6207 116.066 165.97 -258.165 230.515 -137.714 PRESSAVG: 1712800 61.11 27.5996 -16.9872 27.5996 -42.9831 -11.0479 -16.9872 -11.0479 -4.21213 GPRESSAVG: 1712800 62.7577 29.5188 -16.4362 27.1448 -43.6194 -10.9738 -15.6677 -9.61025 -4.94785 TIMING: 1712800 CPU: 5484.14, 0.00320188/step Wall: 5484.14, 0.00320188/step, 2.92368 hours remaining, 230.089844 MB of memory in use. ENERGY: 1712800 3965.8168 20246.0554 14527.3663 256.9297 -203038.7806 2164.0114 0.0000 0.0000 51808.6727 -110069.9284 297.7452 -161878.6010 -109688.8057 298.6743 -38.6265 -9.5702 761374.8674 4.6383 4.7301 PRESSURE: 1713000 -59.6363 -28.7003 18.876 -28.7 -120.823 -52.1649 18.8759 -52.1653 -8.54057 GPRESSURE: 1713000 57.7867 -178.733 6.66345 -4.30669 -126.565 -42.1369 27.4584 -53.1124 -47.1603 PRESSAVG: 1713000 29.6886 18.796 34.3942 18.796 -56.5544 32.9257 34.3943 32.9257 -14.2181 GPRESSAVG: 1713000 30.1002 18.7036 33.0224 18.3539 -57.0737 33.004 30.4163 30.7276 -14.4734 TIMING: 1713000 CPU: 5484.78, 0.00319916/step Wall: 5484.78, 0.00319916/step, 2.92101 hours remaining, 230.089844 MB of memory in use. ENERGY: 1713000 3972.4100 20466.1349 14586.3386 268.7721 -203751.0231 2716.6641 0.0000 0.0000 51953.3383 -109787.3653 298.5765 -161740.7036 -109425.7511 297.8072 -62.9999 -38.6462 760127.7382 -13.6946 -13.8156 PRESSURE: 1713200 104.744 -73.8213 43.5294 -73.8202 -179.777 -275.653 43.5295 -275.655 -300.882 GPRESSURE: 1713200 45.6558 26.2012 -2.23328 -98.5839 -101.325 -349.269 208.159 -106.236 -243.788 PRESSAVG: 1713200 67.1191 17.6137 70.3721 17.6136 -41.4541 -56.0749 70.3721 -56.075 0.837251 GPRESSAVG: 1713200 66.61 16.3726 71.4542 17.0142 -40.1669 -58.3341 71.0542 -53.1322 -0.0409702 TIMING: 1713200 CPU: 5485.41, 0.00316876/step Wall: 5485.41, 0.00316876/step, 2.89308 hours remaining, 230.089844 MB of memory in use. ENERGY: 1713200 3989.2208 20329.3697 14489.1852 239.2717 -203588.8218 2652.4490 0.0000 0.0000 52112.5316 -109776.7937 299.4914 -161889.3253 -109416.1011 298.2038 -125.3051 -99.8190 761804.2927 8.8341 8.8007 PRESSURE: 1713400 -370.728 -50.2435 70.3157 -50.2441 -193.91 110.064 70.3161 110.064 -268.326 GPRESSURE: 1713400 -292.741 91.8392 117.131 -32.9053 -236.781 111.813 -24.0257 50.018 -236.164 PRESSAVG: 1713400 50.4045 21.143 -18.7158 21.143 -11.0569 -47.0246 -18.7158 -47.0247 -5.0766 GPRESSAVG: 1713400 51.0164 22.1607 -19.5104 22.0896 -12.3282 -45.5475 -17.4945 -48.1685 -4.36591 TIMING: 1713400 CPU: 5486.05, 0.00317863/step Wall: 5486.05, 0.00317863/step, 2.90192 hours remaining, 230.089844 MB of memory in use. ENERGY: 1713400 4010.3824 20473.8355 14572.9651 234.2100 -203306.1315 2353.5474 0.0000 0.0000 51965.8923 -109695.2988 298.6487 -161661.1911 -109334.1554 298.1681 -277.6544 -255.2284 761576.8395 11.4237 11.4408 PRESSURE: 1713600 174.311 -128.306 89.4927 -128.306 193.297 42.7659 89.4922 42.7659 136.995 GPRESSURE: 1713600 236.592 -123.837 97.8325 -149.006 162.986 45.4911 79.3992 48.0362 208.557 PRESSAVG: 1713600 51.4245 28.662 -30.3904 28.662 -51.9552 25.6006 -30.3904 25.6005 -0.96091 GPRESSAVG: 1713600 52.2603 29.31 -29.8472 29.2252 -52.2009 26.594 -30.9191 25.0711 -1.55662 TIMING: 1713600 CPU: 5486.68, 0.00318971/step Wall: 5486.68, 0.0031897/step, 2.91185 hours remaining, 230.089844 MB of memory in use. ENERGY: 1713600 3972.2008 20451.0420 14574.5508 238.0445 -203564.4738 2773.0369 0.0000 0.0000 51911.7506 -109643.8483 298.3375 -161555.5989 -109265.8243 298.3015 168.2008 202.7119 760632.4101 -0.4972 -0.4991 PRESSURE: 1713800 58.7083 62.9247 -65.5574 62.9245 259.602 -84.5735 -65.5575 -84.5733 6.42691 GPRESSURE: 1713800 20.7966 -90.0651 -111.473 -87.6966 345.897 -110.405 -104.329 -105.19 46.7037 PRESSAVG: 1713800 -19.7808 32.6932 -27.5171 32.6932 81.3946 -50.0016 -27.5171 -50.0015 5.00417 GPRESSAVG: 1713800 -20.5271 29.2622 -28.7312 32.1363 81.8052 -50.6617 -28.2737 -49.1819 5.34789 TIMING: 1713800 CPU: 5487.33, 0.00323363/step Wall: 5487.33, 0.00323363/step, 2.95176 hours remaining, 230.089844 MB of memory in use. ENERGY: 1713800 3885.2036 20361.0341 14586.3584 231.8880 -203777.8656 2847.6756 0.0000 0.0000 51803.0709 -110062.6351 297.7130 -161865.7060 -109686.7803 297.8304 108.2457 137.7992 760346.7180 22.2060 22.2087 PRESSURE: 1714000 352.767 -179.836 187.795 -179.836 -80.5406 134.346 187.795 134.345 144.357 GPRESSURE: 1714000 396.684 -97.5872 251.434 -146.775 -145.991 160.501 156.714 43.1421 244.873 PRESSAVG: 1714000 53.4138 -21.9963 23.1339 -21.9964 -54.8144 3.38723 23.1339 3.38724 -13.8903 GPRESSAVG: 1714000 51.7367 -20.2912 23.1666 -20.957 -54.4674 3.40194 24.1881 2.92726 -13.1151 TIMING: 1714000 CPU: 5487.97, 0.00320583/step Wall: 5487.97, 0.00320583/step, 2.92621 hours remaining, 230.089844 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: 1714000 3964.2563 20480.1977 14570.9622 231.3875 -203757.5449 2753.0292 0.0000 0.0000 51700.3301 -110057.3819 297.1225 -161757.7120 -109694.3480 297.0614 138.8609 165.1886 761544.1170 -5.0970 -5.2820 PRESSURE: 1714200 -311.504 111.846 75.4585 111.847 171.791 16.2212 75.4579 16.2205 126.244 GPRESSURE: 1714200 -87.3944 94.2392 69.3467 101.667 144.383 49.9718 184.444 36.7042 15.6603 PRESSAVG: 1714200 -20.0147 -18.2701 69.5652 -18.2701 36.5417 -72.189 69.5652 -72.1889 -14.6971 GPRESSAVG: 1714200 -19.2106 -18.8266 70.6034 -18.5856 36.1654 -72.9687 69.1469 -69.5114 -15.7812 TIMING: 1714200 CPU: 5488.61, 0.0031902/step Wall: 5488.61, 0.0031902/step, 2.91177 hours remaining, 230.089844 MB of memory in use. ENERGY: 1714200 4001.8643 20398.7711 14609.5219 272.6933 -203643.5079 2720.1733 0.0000 0.0000 51750.8965 -109889.5874 297.4131 -161640.4839 -109528.4632 297.8949 -4.4899 24.2163 761608.7360 0.6100 0.3912 PRESSURE: 1714400 16.5107 -112.14 -19.2619 -112.139 221.2 39.3621 -19.2617 39.3624 330.677 GPRESSURE: 1714400 169.52 16.038 46.2316 -159.496 203.632 84.5099 11.4108 -35.1308 255.187 PRESSAVG: 1714400 82.0213 -28.6831 -26.6123 -28.6832 -87.4498 25.2037 -26.6124 25.2038 1.94633 GPRESSAVG: 1714400 81.9929 -26.5635 -27.1297 -29.8973 -89.0822 25.664 -28.3167 22.5909 3.02446 TIMING: 1714400 CPU: 5489.25, 0.0032086/step Wall: 5489.25, 0.00320859/step, 2.92838 hours remaining, 230.089844 MB of memory in use. ENERGY: 1714400 3911.1560 20401.8495 14624.0818 246.9365 -203284.2404 2453.4520 0.0000 0.0000 52082.8596 -109563.9049 299.3209 -161646.7645 -109187.4772 298.1796 189.4626 209.4464 761982.1972 -1.1607 -1.3549 PRESSURE: 1714600 -329.935 -181.531 163.218 -181.531 -52.2398 18.9137 163.219 18.9125 -361.991 GPRESSURE: 1714600 -228.518 -131.792 245.37 -270.792 -126.686 -32.0674 212.712 -44.6053 -293.104 PRESSAVG: 1714600 29.5408 31.7838 37.8844 31.7838 -49.0231 -14.5651 37.8845 -14.5651 -17.5937 GPRESSAVG: 1714600 29.7838 30.7168 37.1467 30.1309 -49.263 -14.3666 38.5037 -15.3407 -16.6694 TIMING: 1714600 CPU: 5489.89, 0.00321449/step Wall: 5489.89, 0.00321449/step, 2.93358 hours remaining, 230.089844 MB of memory in use. ENERGY: 1714600 4000.7263 20590.7414 14558.4200 244.7420 -203054.7440 2286.5157 0.0000 0.0000 51974.9161 -109398.6826 298.7006 -161373.5986 -109046.5272 298.6352 -248.0554 -216.1028 763161.5497 -12.3587 -12.0495 PRESSURE: 1714800 154.224 204.411 -212.154 204.412 -434.175 -11.7196 -212.154 -11.72 224.869 GPRESSURE: 1714800 86.1172 292.448 -139.127 63.757 -278.182 -44.8235 -203.461 193.619 218.882 PRESSAVG: 1714800 -21.1847 20.0281 8.61283 20.0281 -23.9213 -1.37377 8.61283 -1.3738 32.7513 GPRESSAVG: 1714800 -22.0093 20.451 9.67051 22.8071 -22.4189 -0.588997 9.44194 -2.09712 31.9096 TIMING: 1714800 CPU: 5490.54, 0.00321033/step Wall: 5490.54, 0.00321033/step, 2.92961 hours remaining, 230.089844 MB of memory in use. ENERGY: 1714800 4005.6275 20476.5383 14555.5745 236.7086 -202783.7042 2116.8856 0.0000 0.0000 52166.5734 -109225.7963 299.8020 -161392.3697 -108859.9055 299.0203 -18.3609 8.9390 762970.2059 -4.1182 -4.1729 PRESSURE: 1715000 40.6991 -68.2595 -32.5752 -68.2595 -81.3139 115.926 -32.576 115.925 141.661 GPRESSURE: 1715000 119.32 -53.4032 -85.7179 -67.9417 -14.0304 66.155 -37.0566 235.96 62.5166 PRESSAVG: 1715000 35.8297 29.893 3.40779 29.8929 -24.2604 -49.9124 3.40778 -49.9124 -14.3264 GPRESSAVG: 1715000 35.5499 28.5189 5.05379 28.9483 -23.7028 -50.5311 1.88303 -47.0694 -15.2017 TIMING: 1715000 CPU: 5491.17, 0.00318423/step Wall: 5491.17, 0.00318423/step, 2.90561 hours remaining, 230.089844 MB of memory in use. ENERGY: 1715000 3981.8302 20511.3002 14563.6830 253.0042 -202957.0363 2359.0331 0.0000 0.0000 51992.8734 -109295.3123 298.8038 -161288.1856 -108930.2054 299.1975 33.6821 55.9355 762623.7766 -0.9190 -1.1182 PRESSURE: 1715200 85.033 -42.1546 292.395 -42.1534 300.039 -49.4705 292.395 -49.4696 -2.86026 GPRESSURE: 1715200 72.4598 8.1628 170.168 -139.236 323.689 -99.8242 106.997 -53.2856 80.5656 PRESSAVG: 1715200 -29.0975 63.2485 -23.7524 63.2486 15.9136 -58.6693 -23.7524 -58.6693 10.9068 GPRESSAVG: 1715200 -28.2667 63.4656 -25.5879 62.8098 14.7338 -58 -21.5951 -59.6424 11.5474 TIMING: 1715200 CPU: 5491.81, 0.00316684/step Wall: 5491.81, 0.00316684/step, 2.88956 hours remaining, 230.089844 MB of memory in use. ENERGY: 1715200 4011.1201 20456.9055 14584.8907 241.6526 -203618.7554 2929.0946 0.0000 0.0000 51988.0595 -109407.0324 298.7761 -161395.0919 -109047.7892 299.5009 127.4039 158.9047 761910.8668 -0.7590 -0.6618 PRESSURE: 1715400 -175.578 238.504 298.504 238.503 -268.637 -107.37 298.504 -107.369 -296.088 GPRESSURE: 1715400 -71.8526 335.972 340.744 204.089 -294.52 -114.292 394.67 -227.414 -280.296 PRESSAVG: 1715400 -4.10193 47.8931 44.1525 47.8931 5.55826 -31.1244 44.1525 -31.1243 4.00755 GPRESSAVG: 1715400 -3.83024 49.0178 44.3318 48.4704 5.86204 -33.0609 42.991 -30.3492 3.36544 TIMING: 1715400 CPU: 5492.44, 0.00318938/step Wall: 5492.44, 0.00318938/step, 2.90996 hours remaining, 230.089844 MB of memory in use. ENERGY: 1715400 3989.9281 20599.9886 14565.5021 238.9053 -203529.5133 2746.8453 0.0000 0.0000 51982.6420 -109405.7019 298.7450 -161388.3440 -109038.6628 299.2976 -246.7675 -215.5562 761080.8284 1.8213 1.7991 PRESSURE: 1715600 50.7087 -374.763 -89.5626 -374.763 -219.074 -251.885 -89.5619 -251.884 295.957 GPRESSURE: 1715600 61.5192 -394.721 -89.1751 -301.936 -133.718 -225.377 -36.0806 -196.911 299.904 PRESSAVG: 1715600 45.1197 -12.5565 -15.4385 -12.5565 -18.6079 -23.6454 -15.4385 -23.6455 32.9133 GPRESSAVG: 1715600 44.6745 -12.8823 -14.6525 -13.0633 -18.7476 -22.5658 -14.8611 -25.8624 33.6017 TIMING: 1715600 CPU: 5493.08, 0.00319637/step Wall: 5493.08, 0.00319637/step, 2.91616 hours remaining, 230.089844 MB of memory in use. ENERGY: 1715600 3964.4032 20325.4140 14649.4872 253.4635 -203337.1279 2715.7366 0.0000 0.0000 51869.1577 -109559.4658 298.0928 -161428.6236 -109202.9170 299.3522 42.5307 75.9017 760801.9480 19.8084 19.8429 PRESSURE: 1715800 -416.243 92.0616 -124.092 92.0615 -408.612 184.162 -124.092 184.162 52.1048 GPRESSURE: 1715800 -341.672 102.593 -198.941 144.823 -361.217 121.297 12.4667 179.18 20.0845 PRESSAVG: 1715800 14.1859 9.40526 -55.0218 9.40532 -50.9096 3.48789 -55.0218 3.4879 3.79647 GPRESSAVG: 1715800 15.4337 9.42689 -56.5285 12.1248 -51.4665 3.35107 -52.6678 4.39149 3.30386 TIMING: 1715800 CPU: 5493.73, 0.00322652/step Wall: 5493.73, 0.00322652/step, 2.94348 hours remaining, 230.089844 MB of memory in use. ENERGY: 1715800 4080.7312 20391.3260 14569.2070 225.9351 -202904.7996 2147.3934 0.0000 0.0000 51905.7347 -109584.4722 298.3030 -161490.2069 -109218.5670 298.4755 -257.5834 -227.6015 761861.8694 -10.9758 -10.9097 PRESSURE: 1716000 166.387 270.535 -84.0036 270.535 87.6367 -109.756 -84.0048 -109.757 624.411 GPRESSURE: 1716000 199.208 196.351 -175.578 195.38 149.759 -25.8325 -53.5945 -152.796 592.274 PRESSAVG: 1716000 15.3189 32.0153 -32.231 32.0153 -5.5608 -26.2774 -32.231 -26.2774 -8.10874 GPRESSAVG: 1716000 14.2747 32.0558 -31.1992 31.6495 -4.89207 -25.322 -32.3488 -26.6055 -7.83072 TIMING: 1716000 CPU: 5494.37, 0.00319919/step Wall: 5494.37, 0.00319919/step, 2.91837 hours remaining, 230.089844 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: 1716000 3838.1920 20540.8593 14577.6815 230.0331 -203684.9494 2788.2175 0.0000 0.0000 52073.3847 -109636.5813 299.2665 -161709.9660 -109290.8610 298.2611 292.8115 313.7469 760426.8744 0.5498 0.5173 PRESSURE: 1716200 -28.7594 11.3415 -135.45 11.3415 14.251 67.6309 -135.449 67.6312 -124.337 GPRESSURE: 1716200 107.844 99.3064 -115.512 57.2782 57.333 76.5374 -232.299 44.2083 -212.472 PRESSAVG: 1716200 11.9819 24.2808 -15.872 24.2808 -2.76202 12.2955 -15.8719 12.2954 -17.5278 GPRESSAVG: 1716200 12.0451 24.2514 -16.0322 22.7741 -2.75708 11.3079 -18.4146 13.0659 -17.5196 TIMING: 1716200 CPU: 5495.01, 0.00319699/step Wall: 5495.01, 0.00319699/step, 2.91619 hours remaining, 230.089844 MB of memory in use. ENERGY: 1716200 3957.0545 20385.5583 14624.3533 259.5311 -203178.7968 2416.5798 0.0000 0.0000 52063.1816 -109472.5383 299.2078 -161535.7199 -109099.4386 298.8659 -46.2818 -15.7649 759920.8185 -2.7693 -2.7439 LDB: ============= START OF LOAD BALANCING ============== 5507.43 LDB: ============== END OF LOAD BALANCING =============== 5507.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5507.43 LDB: ============= START OF LOAD BALANCING ============== 5507.75 LDB: Largest compute 7033 load 0.034932 is 17.9% of average load 0.195440 LDB: Average compute 0.004419 is 2.3% of average load 0.195440 LDB: TIME 5507.76 LOAD: AVG 0.19544 MAX 0.218474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.395 MB LDB: TIME 5507.76 LOAD: AVG 0.19544 MAX 0.218474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.598 MB LDB: TIME 5507.76 LOAD: AVG 0.19544 MAX 0.217933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.598 MB LDB: ============== END OF LOAD BALANCING =============== 5507.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5507.76 PRESSURE: 1716400 -0.710194 -57.6939 -175.205 -57.6939 128.418 -114.804 -175.206 -114.804 -23.6112 GPRESSURE: 1716400 4.89095 -61.4148 -48.3494 -45.4867 252.599 -136.897 -116.686 -184.08 -64.1542 PRESSAVG: 1716400 38.7807 -8.11978 -1.09133 -8.11982 -18.8246 -19.1659 -1.09136 -19.1659 3.64993 GPRESSAVG: 1716400 40.2941 -8.41712 -2.37649 -6.73374 -19.8584 -18.506 -1.26544 -18.1936 3.00165 TIMING: 1716400 CPU: 5495.66, 0.00324344/step Wall: 5495.66, 0.00324344/step, 2.95838 hours remaining, 231.683594 MB of memory in use. ENERGY: 1716400 3870.7954 20454.1585 14572.5647 251.1921 -202975.3858 2419.4326 0.0000 0.0000 51859.8233 -109547.4192 298.0391 -161407.2425 -109178.4409 298.6828 34.6989 64.4451 761285.2601 7.8687 7.8125 PRESSURE: 1716600 -108.142 -105.09 -55.6346 -105.09 3.32275 -33.9062 -55.6342 -33.9062 171.59 GPRESSURE: 1716600 -7.3646 -3.93985 -45.7436 -123.773 15.1457 6.56486 -99.1607 -139.294 171.63 PRESSAVG: 1716600 41.6937 -6.74117 -27.7326 -6.74123 -32.1547 -17.2359 -27.7327 -17.2359 0.420921 GPRESSAVG: 1716600 39.0381 -4.20008 -27.6058 -10.2911 -30.4589 -18.7361 -28.5844 -18.7507 1.18805 TIMING: 1716600 CPU: 5496.3, 0.00321505/step Wall: 5496.3, 0.00321505/step, 2.9323 hours remaining, 231.683594 MB of memory in use. ENERGY: 1716600 3947.1875 20372.6835 14631.4153 250.3845 -203104.7212 2240.8284 0.0000 0.0000 52095.4604 -109566.7617 299.3933 -161662.2221 -109198.3953 298.4875 22.2569 59.8036 760710.6903 3.3200 3.2558 PRESSURE: 1716800 -18.209 -220.118 391.057 -220.118 -40.9581 -9.49255 391.056 -9.49207 -282.964 GPRESSURE: 1716800 -62.8187 -204.83 363.849 -240.625 34.5162 -52.323 376.793 119.751 -226.196 PRESSAVG: 1716800 66.6009 -39.1908 25.5394 -39.1908 -47.626 0.365232 25.5395 0.36519 -11.6547 GPRESSAVG: 1716800 68.1385 -41.9453 26.7772 -34.3299 -49.4829 -0.278045 26.858 2.75374 -11.7893 TIMING: 1716800 CPU: 5496.94, 0.00318468/step Wall: 5496.94, 0.00318468/step, 2.90443 hours remaining, 231.683594 MB of memory in use. ENERGY: 1716800 3988.3961 20400.2658 14551.8410 214.0532 -203276.1211 2552.1646 0.0000 0.0000 51876.8170 -109692.5834 298.1368 -161569.4004 -109326.0018 298.5141 -114.0436 -84.8327 761926.7922 2.4401 2.2888 PRESSURE: 1717000 327.966 78.2317 -251.765 78.2308 68.9288 58.7237 -251.765 58.723 82.066 GPRESSURE: 1717000 404.795 -8.4004 -168.577 -7.86491 100.887 94.5463 -313.36 55.0696 48.9389 PRESSAVG: 1717000 30.3323 26.1291 5.40753 26.129 -44.2042 -0.323959 5.40748 -0.323979 -1.9677 GPRESSAVG: 1717000 30.7599 26.0575 7.12155 25.2403 -43.7963 1.01734 5.21847 -3.64699 -2.90749 TIMING: 1717000 CPU: 5497.57, 0.00318537/step Wall: 5497.57, 0.00318537/step, 2.90488 hours remaining, 231.683594 MB of memory in use. ENERGY: 1717000 3928.2502 20469.1060 14507.9953 246.6475 -202633.6155 1970.5251 0.0000 0.0000 51999.7247 -109511.3667 298.8431 -161511.0914 -109140.2810 298.4915 159.6537 184.8737 761559.8535 -5.2799 -5.3146 PRESSURE: 1717200 116.849 11.5092 -119.792 11.5089 -293.691 77.9362 -119.793 77.9361 265.244 GPRESSURE: 1717200 62.2956 42.1102 -127.73 77.3645 -230.023 67.2536 -109.598 25.282 320.304 PRESSAVG: 1717200 51.0078 -23.6156 -62.0236 -23.6157 -43.685 23.6315 -62.0236 23.6314 -13.9861 GPRESSAVG: 1717200 49.413 -22.1572 -64.8721 -25.6662 -42.5574 22.7414 -61.59 26.8212 -13.3308 TIMING: 1717200 CPU: 5498.21, 0.00319491/step Wall: 5498.21, 0.00319491/step, 2.9134 hours remaining, 231.683594 MB of memory in use. ENERGY: 1717200 3976.0622 20555.6231 14536.9851 252.3006 -203396.4018 2587.7402 0.0000 0.0000 51786.5828 -109701.1078 297.6182 -161487.6906 -109346.8283 298.9529 29.4674 50.8590 760124.2020 -2.2211 -2.1584 PRESSURE: 1717400 99.9318 -2.73617 293.09 -2.73542 -72.3991 -119.688 293.089 -119.687 -169.203 GPRESSURE: 1717400 81.8117 83.7294 155.685 -5.20431 -16.0803 -152.076 166.342 -137.774 -146.453 PRESSAVG: 1717400 -35.048 -30.6658 45.8542 -30.6658 -5.51645 -27.2727 45.8542 -27.2726 -3.46235 GPRESSAVG: 1717400 -34.4244 -31.9091 46.1644 -31.3614 -6.53422 -27.6319 44.0815 -27.9922 -2.81039 TIMING: 1717400 CPU: 5498.86, 0.00321649/step Wall: 5498.86, 0.00321648/step, 2.9329 hours remaining, 231.683594 MB of memory in use. ENERGY: 1717400 3962.9690 20466.9689 14522.4092 243.1699 -203849.9102 2905.2417 0.0000 0.0000 51847.4941 -109901.6574 297.9683 -161749.1514 -109543.6103 298.0510 -47.2233 -26.9073 761631.1846 -14.6756 -14.5897 PRESSURE: 1717600 258.623 98.9178 -64.2704 98.918 232.628 -78.0757 -64.2697 -78.0756 -227.885 GPRESSURE: 1717600 216.515 90.6925 -89.2505 83.9471 376.854 -35.2705 7.99806 -61.7968 -257.701 PRESSAVG: 1717600 79.5566 -22.2854 -27.3079 -22.2854 -42.1334 -42.3466 -27.3079 -42.3466 3.12065 GPRESSAVG: 1717600 79.8119 -21.4818 -27.5416 -19.4831 -41.5096 -41.316 -24.2675 -42.6526 2.12048 TIMING: 1717600 CPU: 5499.49, 0.00319099/step Wall: 5499.49, 0.00319099/step, 2.90947 hours remaining, 231.683594 MB of memory in use. ENERGY: 1717600 3973.0081 20387.3748 14504.2630 247.1208 -204360.9952 3277.3457 0.0000 0.0000 51984.6894 -109987.1935 298.7567 -161971.8829 -109620.8959 297.4200 87.7885 111.8895 760548.7139 13.5146 13.4743 PRESSURE: 1717800 242.15 -8.52488 -121.064 -8.52556 143.089 -55.2357 -121.065 -55.236 322.513 GPRESSURE: 1717800 208.481 24.3294 -73.6003 -18.8585 187.12 -53.1391 -125.14 -234.742 402.968 PRESSAVG: 1717800 45.151 -30.9793 -18.8202 -30.9792 -9.78887 39.4748 -18.8202 39.4748 -10.8952 GPRESSAVG: 1717800 44.0648 -31.9178 -19.661 -31.543 -10.0249 38.961 -18.3152 41.006 -9.05614 TIMING: 1717800 CPU: 5500.13, 0.00319909/step Wall: 5500.13, 0.00319909/step, 2.91668 hours remaining, 231.683594 MB of memory in use. ENERGY: 1717800 3876.1268 20348.9970 14616.5736 237.5624 -203731.6179 2706.8254 0.0000 0.0000 51984.9920 -109960.5408 298.7585 -161945.5328 -109594.5705 297.5509 235.9174 266.1898 760434.7726 8.1557 8.3280 PRESSURE: 1718000 -90.6058 -291.101 2.78518 -291.1 -141.868 -128.229 2.78436 -128.229 -261.182 GPRESSURE: 1718000 -89.5978 -180.178 1.64181 -204.762 -128.119 -120.177 116.114 -161.053 -185.478 PRESSAVG: 1718000 80.3268 -16.3888 -18.1154 -16.3887 -44.1664 -16.838 -18.1154 -16.838 7.32234 GPRESSAVG: 1718000 82.1033 -15.0355 -15.7562 -16.653 -44.3262 -16.6952 -18.5707 -18.5952 5.75557 TIMING: 1718000 CPU: 5500.78, 0.00322672/step Wall: 5500.78, 0.00322672/step, 2.94169 hours remaining, 231.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1718000 3983.5894 20383.9668 14520.6935 238.8080 -202863.0409 2268.5215 0.0000 0.0000 51745.7501 -109721.7117 297.3835 -161467.4617 -109370.1695 297.2116 -164.5521 -134.3982 761929.2990 14.4942 14.5109 PRESSURE: 1718200 147.418 155.61 -48.0889 155.611 307.352 -50.6825 -48.0894 -50.6827 333.427 GPRESSURE: 1718200 172.921 147.869 11.6532 147.783 371.835 -160.567 -155.16 -55.1511 348.184 PRESSAVG: 1718200 50.2454 -11.9572 35.5949 -11.9572 -77.0431 0.42819 35.5949 0.428233 -13.0027 GPRESSAVG: 1718200 49.369 -10.8395 35.7677 -14.4169 -75.9738 -1.49938 35.1836 2.79431 -13.2798 TIMING: 1718200 CPU: 5501.42, 0.00321602/step Wall: 5501.42, 0.00321602/step, 2.93176 hours remaining, 231.683594 MB of memory in use. ENERGY: 1718200 3902.2059 20342.5645 14507.1902 238.6616 -203679.3682 2860.5771 0.0000 0.0000 51934.1664 -109894.0026 298.4664 -161828.1690 -109526.6634 297.9879 262.7322 297.6467 760206.6041 -13.2668 -13.2949 PRESSURE: 1718400 214.87 32.5765 -60.4162 32.576 22.712 -166.809 -60.4164 -166.809 298.975 GPRESSURE: 1718400 224.255 67.2074 -103.385 -29.0716 77.237 -100.501 43.0337 -141.227 307.957 PRESSAVG: 1718400 22.1558 -11.5078 -6.11553 -11.5078 1.04401 18.7206 -6.11551 18.7206 -2.44421 GPRESSAVG: 1718400 21.7038 -13.0375 -7.75774 -10.2555 0.311065 20.6526 -7.22741 15.6167 -2.20808 TIMING: 1718400 CPU: 5502.05, 0.00315471/step Wall: 5502.05, 0.00315471/step, 2.87569 hours remaining, 231.683594 MB of memory in use. ENERGY: 1718400 3916.5898 20299.8514 14511.3045 276.9256 -203627.7973 2753.9400 0.0000 0.0000 51786.8919 -110082.2940 297.6200 -161869.1859 -109716.9839 297.2742 178.8522 203.1495 759738.9991 6.9185 6.6023 PRESSURE: 1718600 -141.543 -69.8794 -168.708 -69.8796 -315.367 50.8721 -168.708 50.8722 5.53084 GPRESSURE: 1718600 -70.641 18.6526 -52.1934 37.0921 -277.171 78.3338 -203.954 50.219 -20.2188 PRESSAVG: 1718600 -27.3954 -63.0562 -20.1356 -63.0562 -47.0227 -3.75128 -20.1356 -3.75133 24.5969 GPRESSAVG: 1718600 -27.3013 -62.7605 -19.4515 -61.7112 -46.225 -3.32651 -17.7356 -1.58605 23.7758 TIMING: 1718600 CPU: 5502.69, 0.00316969/step Wall: 5502.69, 0.00316969/step, 2.88917 hours remaining, 231.683594 MB of memory in use. ENERGY: 1718600 4030.3497 20445.1533 14582.3220 240.3459 -203332.4119 2545.7949 0.0000 0.0000 51595.7703 -109892.6756 296.5216 -161488.4460 -109538.9236 297.5921 -150.4598 -122.6769 761580.3512 -16.6071 -16.5835 PRESSURE: 1718800 -50.4676 170.672 -111.64 170.672 -183.151 -125.474 -111.64 -125.474 -189.872 GPRESSURE: 1718800 -70.3599 90.6208 -49.9471 235.242 -104.385 -126.205 -129.18 -8.46193 -166.931 PRESSAVG: 1718800 49.2841 26.4266 10.4454 26.4266 -34.4767 -28.7873 10.4453 -28.7874 -5.61896 GPRESSAVG: 1718800 49.188 25.2849 10.0287 26.4779 -35.0449 -28.0885 7.25713 -31.2214 -4.68507 TIMING: 1718800 CPU: 5503.33, 0.00319772/step Wall: 5503.33, 0.00319772/step, 2.91454 hours remaining, 231.683594 MB of memory in use. ENERGY: 1718800 3996.7620 20438.5593 14668.5806 249.4352 -203696.7455 2643.2985 0.0000 0.0000 51930.4366 -109769.6733 298.4449 -161700.1099 -109404.9676 297.6573 -141.1635 -113.8918 760205.2839 3.0628 3.1527 PRESSURE: 1719000 -142.753 76.1113 -384.132 76.1109 -109.248 -129.725 -384.132 -129.725 -341.457 GPRESSURE: 1719000 -34.5408 240.574 -315.147 -23.0929 -136.565 -179.529 -264.487 -137.421 -330.689 PRESSAVG: 1719000 25.6081 14.4738 8.17674 14.4738 -16.2554 -48.976 8.17675 -48.976 2.79946 GPRESSAVG: 1719000 25.3548 15.2912 8.61966 12.0919 -16.6235 -48.7442 9.40438 -48.0203 3.56658 TIMING: 1719000 CPU: 5503.96, 0.00316922/step Wall: 5503.96, 0.00316922/step, 2.88839 hours remaining, 231.683594 MB of memory in use. ENERGY: 1719000 4017.8756 20355.6909 14484.2892 244.6970 -203630.4298 2734.2970 0.0000 0.0000 51992.1823 -109801.3979 298.7998 -161793.5802 -109437.8220 297.5070 -197.8191 -167.2647 761612.9782 4.0507 4.0993 PRESSURE: 1719200 -232.742 -49.2058 124.316 -49.2069 -296.621 295.116 124.316 295.116 -108.261 GPRESSURE: 1719200 -229.318 4.46074 190.903 -109.212 -263.876 281.662 60.7914 223.576 -60.1559 PRESSAVG: 1719200 31.4183 20.9543 -3.65512 20.9543 -40.9309 6.82198 -3.65514 6.82202 -16.9288 GPRESSAVG: 1719200 32.5956 21.018 -2.94666 20.3667 -40.7535 6.68586 -5.23207 8.32113 -19.0512 TIMING: 1719200 CPU: 5504.6, 0.0031991/step Wall: 5504.6, 0.0031991/step, 2.91545 hours remaining, 231.683594 MB of memory in use. ENERGY: 1719200 4070.3505 20465.3257 14553.2922 237.7633 -203461.5726 2584.9058 0.0000 0.0000 51947.8036 -109602.1316 298.5447 -161549.9352 -109243.9655 298.3943 -212.5413 -184.4502 761866.5654 -8.8138 -9.0697 PRESSURE: 1719400 -8.91071 -7.49704 272.707 -7.49698 -404.682 131.733 272.707 131.733 -299.63 GPRESSURE: 1719400 -49.274 9.09248 333.925 108.361 -268.439 75.4515 226.017 172.833 -310.43 PRESSAVG: 1719400 17.8491 -51.6219 9.81383 -51.622 -10.6634 -10.3029 9.81378 -10.3028 -0.589823 GPRESSAVG: 1719400 15.6872 -49.2245 9.3908 -51.4495 -9.30151 -11.8223 11.3151 -10.9316 0.225162 TIMING: 1719400 CPU: 5505.24, 0.00319871/step Wall: 5505.24, 0.00319871/step, 2.91491 hours remaining, 231.683594 MB of memory in use. ENERGY: 1719400 3938.1383 20576.8822 14561.4655 256.9147 -203598.1397 2633.1828 0.0000 0.0000 52021.1828 -109610.3733 298.9665 -161631.5561 -109249.9909 299.0793 -237.7410 -209.3809 761783.1088 2.1986 2.2036 PRESSURE: 1719600 436.864 -275.704 111.482 -275.704 249.097 143.854 111.481 143.853 -11.8138 GPRESSURE: 1719600 389.135 -180.025 71.6074 -315.191 367.164 151.908 195.49 34.9168 0.447901 PRESSAVG: 1719600 29.12 32.8575 9.57436 32.8575 -29.0117 19.4549 9.57428 19.4549 13.8067 GPRESSAVG: 1719600 29.6837 32.8291 9.48698 32.2127 -30.0628 20.4311 9.85987 18.8204 14.2149 TIMING: 1719600 CPU: 5505.88, 0.00318236/step Wall: 5505.88, 0.00318236/step, 2.89983 hours remaining, 231.683594 MB of memory in use. ENERGY: 1719600 3965.8795 20443.5001 14556.3708 238.6926 -203522.9429 2694.7248 0.0000 0.0000 52082.4888 -109541.2863 299.3188 -161623.7751 -109169.6341 298.5420 224.7157 252.2492 762141.0310 4.6383 4.6120 PRESSURE: 1719800 -80.8064 239.353 179.233 239.351 300.743 -2.65924 179.233 -2.65959 -11.3153 GPRESSURE: 1719800 -34.2476 123.671 220.337 220.525 309.52 -22.1157 115.547 4.80893 -7.77513 PRESSAVG: 1719800 -1.52018 8.89026 41.2872 8.89026 -11.682 -38.066 41.2872 -38.066 35.9607 GPRESSAVG: 1719800 -2.06086 4.37933 40.0986 9.1931 -11.208 -36.1949 42.7269 -40.3633 35.5515 TIMING: 1719800 CPU: 5506.51, 0.00316632/step Wall: 5506.51, 0.00316632/step, 2.88505 hours remaining, 231.683594 MB of memory in use. ENERGY: 1719800 3948.7179 20637.3428 14582.3211 255.5689 -203723.6249 2637.3721 0.0000 0.0000 52082.9576 -109579.3445 299.3215 -161662.3021 -109222.0286 298.9211 69.5403 89.1658 761670.7407 7.5862 7.4275 PRESSURE: 1720000 162.95 13.3887 266.305 13.3879 -93.136 -12.8405 266.304 -12.841 -433.433 GPRESSURE: 1720000 147.95 83.0864 277.098 1.82799 -150.932 -2.8709 180.045 62.3818 -277.43 PRESSAVG: 1720000 41.5811 41.837 29.4216 41.8371 9.30941 -1.43113 29.4216 -1.43104 10.4617 GPRESSAVG: 1720000 41.1371 44.8724 30.5435 41.9975 9.10761 -3.5794 27.4012 2.43736 11.6863 TIMING: 1720000 CPU: 5507.14, 0.00316744/step Wall: 5507.14, 0.00316744/step, 2.88589 hours remaining, 231.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1720000 3998.7731 20356.6195 14548.1018 252.9026 -203480.2277 2548.3492 0.0000 0.0000 52393.9406 -109381.5408 301.1087 -161775.4815 -109006.7511 299.3514 -121.2062 -93.4708 760061.0772 20.4507 20.6437 PRESSURE: 1720200 -109.89 -102.232 -158.933 -102.231 -8.66172 119.945 -158.932 119.946 242.63 GPRESSURE: 1720200 -26.4871 45.8634 -158.662 -119.577 -14.9496 70.5829 29.3684 251.599 247.002 PRESSAVG: 1720200 40.1934 61.9594 4.03086 61.9594 -87.5579 27.7354 4.03084 27.7354 -21.7171 GPRESSAVG: 1720200 41.206 62.9366 4.19673 62.2961 -87.9743 27.3378 6.18498 27.6132 -22.119 TIMING: 1720200 CPU: 5507.78, 0.00317467/step Wall: 5507.78, 0.00317467/step, 2.8923 hours remaining, 231.683594 MB of memory in use. ENERGY: 1720200 3956.7256 20582.1202 14523.1518 254.3096 -203388.8215 2631.6716 0.0000 0.0000 52119.3936 -109321.4492 299.5309 -161440.8427 -108959.6782 299.0357 41.3597 68.5219 760795.8943 -23.0272 -22.9625 LDB: ============= START OF LOAD BALANCING ============== 5520.2 LDB: ============== END OF LOAD BALANCING =============== 5520.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5520.2 LDB: ============= START OF LOAD BALANCING ============== 5520.52 LDB: Largest compute 7066 load 0.032309 is 16.5% of average load 0.195417 LDB: Average compute 0.004413 is 2.3% of average load 0.195417 LDB: TIME 5520.53 LOAD: AVG 0.195417 MAX 0.214386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.883 MB LDB: TIME 5520.53 LOAD: AVG 0.195417 MAX 0.214386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: TIME 5520.53 LOAD: AVG 0.195417 MAX 0.214386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.887 MB LDB: ============== END OF LOAD BALANCING =============== 5520.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5520.53 PRESSURE: 1720400 1.10438 -221.808 115.819 -221.806 -35.5108 64.3719 115.82 64.3721 -222.259 GPRESSURE: 1720400 -25.6331 -171.247 77.2124 -154.99 24.3754 -48.0405 -60.5105 199.277 -181.492 PRESSAVG: 1720400 69.3884 -2.41489 4.62611 -2.41488 -5.37188 -17.2934 4.62612 -17.2934 -12.7385 GPRESSAVG: 1720400 69.8282 -3.12271 5.04684 -6.25844 -4.56511 -17.8057 2.18597 -19.4007 -13.9828 TIMING: 1720400 CPU: 5508.43, 0.00323906/step Wall: 5508.43, 0.00323906/step, 2.95079 hours remaining, 230.863281 MB of memory in use. ENERGY: 1720400 3977.7017 20614.7630 14572.1186 257.0676 -203360.2781 2483.5664 0.0000 0.0000 52051.8639 -109403.1970 299.1428 -161455.0609 -109044.7295 299.1814 -85.5552 -60.9165 761124.3007 17.0927 17.0935 PRESSURE: 1720600 -305.027 -229.265 -27.7181 -229.266 -124.889 -43.288 -27.7191 -43.288 11.1231 GPRESSURE: 1720600 -318.701 -248.459 -61.0664 -197.474 -55.2261 16.888 38.4042 -1.2767 66.1386 PRESSAVG: 1720600 27.1556 -10.7036 22.3754 -10.7036 -14.0756 16.732 22.3754 16.732 10.9564 GPRESSAVG: 1720600 24.7358 -11.8232 22.7759 -6.6591 -13.151 17.7475 23.1502 17.1329 11.9916 TIMING: 1720600 CPU: 5509.07, 0.00322624/step Wall: 5509.07, 0.00322624/step, 2.93892 hours remaining, 230.863281 MB of memory in use. ENERGY: 1720600 4056.1014 20442.8267 14722.7845 238.4013 -203251.8825 2403.2644 0.0000 0.0000 51987.7161 -109400.7882 298.7741 -161388.5042 -109019.7969 298.9792 -139.5978 -102.5961 760302.1079 8.0122 7.8588 PRESSURE: 1720800 11.1424 33.9262 300.281 33.9271 95.0941 -87.8037 300.281 -87.8037 -231.204 GPRESSURE: 1720800 99.1723 -35.105 269.849 33.9952 78.4774 -157.194 269.157 38.7514 -223.99 PRESSAVG: 1720800 64.5061 -24.3465 28.9981 -24.3465 -48.1344 22.5284 28.9981 22.5284 12.1922 GPRESSAVG: 1720800 67.2304 -24.2173 26.9879 -24.5411 -49.8933 22.1343 29.5653 23.9913 11.6377 TIMING: 1720800 CPU: 5509.71, 0.00320335/step Wall: 5509.71, 0.00320335/step, 2.91789 hours remaining, 230.863281 MB of memory in use. ENERGY: 1720800 4007.1734 20561.6267 14649.6899 248.3590 -203613.5008 2588.8578 0.0000 0.0000 52064.9620 -109492.8320 299.2181 -161557.7940 -109129.7303 298.8086 -41.6559 -15.4468 759478.2133 9.5213 9.6583 PRESSURE: 1721000 128.998 17.8978 204.595 17.8974 -224.636 -37.0459 204.596 -37.0457 64.1196 GPRESSURE: 1721000 104.491 -59.2257 266.089 244.86 -123.022 -19.953 177.184 -29.4808 44.6859 PRESSAVG: 1721000 44.0644 -3.56123 -14.0087 -3.56122 -59.6754 -22.1367 -14.0086 -22.1366 -18.4796 GPRESSAVG: 1721000 43.6175 -2.87479 -12.4613 -5.25634 -58.1763 -23.0545 -14.6265 -22.3572 -19.5899 TIMING: 1721000 CPU: 5510.36, 0.00323404/step Wall: 5510.36, 0.00323404/step, 2.94567 hours remaining, 230.863281 MB of memory in use. ENERGY: 1721000 3972.0419 20661.2596 14618.1844 237.0099 -203355.2917 2323.3716 0.0000 0.0000 52098.6177 -109444.8066 299.4115 -161543.4243 -109076.0434 298.7352 -10.5062 8.7180 758171.0860 -11.3635 -11.3829 PRESSURE: 1721200 -408.383 -12.8876 149.182 -12.8876 -231.64 94.9115 149.181 94.9119 -389.619 GPRESSURE: 1721200 -306.128 105.458 101.485 146.129 -277.164 -23.2182 157.688 -76.4646 -359.887 PRESSAVG: 1721200 75.0551 56.9455 5.88865 56.9455 -5.18725 -27.5772 5.88861 -27.5773 -10.6342 GPRESSAVG: 1721200 75.5453 56.9534 6.33394 58.5296 -5.43741 -27.0418 4.95123 -29.3922 -10.8803 TIMING: 1721200 CPU: 5511, 0.00319357/step Wall: 5511, 0.00319357/step, 2.90864 hours remaining, 230.863281 MB of memory in use. ENERGY: 1721200 4008.9033 20451.9758 14665.0518 260.3800 -203217.9115 2355.2400 0.0000 0.0000 51840.8333 -109635.5272 297.9300 -161476.3605 -109266.8704 298.7722 -343.2140 -314.3929 761783.6301 19.7446 19.7425 PRESSURE: 1721400 -105.319 -222.991 236.163 -222.991 20.3313 226.181 236.163 226.181 196.646 GPRESSURE: 1721400 -42.7966 -191.82 151.332 -178.825 83.3754 184.393 141.818 270.354 168.281 PRESSAVG: 1721400 34.2939 39.5169 -15.9508 39.5169 -25.8895 59.1917 -15.9508 59.1916 18.396 GPRESSAVG: 1721400 34.8288 38.6808 -16.5946 40.7061 -25.8879 59.8294 -15.5259 60.3074 18.6525 TIMING: 1721400 CPU: 5511.63, 0.00316638/step Wall: 5511.63, 0.00316638/step, 2.88369 hours remaining, 230.863281 MB of memory in use. ENERGY: 1721400 4036.3978 20541.0424 14632.9115 241.3218 -203455.0297 2476.3750 0.0000 0.0000 51900.3237 -109626.6574 298.2719 -161526.9812 -109270.8597 298.6652 37.2195 69.6200 760010.4146 8.9335 9.1978 PRESSURE: 1721600 28.2715 120.668 -121.893 120.667 -105.037 -189.408 -121.893 -189.407 159.385 GPRESSURE: 1721600 41.5916 132.075 -183.918 112.674 -82.6865 -112.699 -62.37 -152.152 193.98 PRESSAVG: 1721600 -15.2437 -26.2936 -4.84252 -26.2936 31.9784 -1.33045 -4.84248 -1.33051 5.96584 GPRESSAVG: 1721600 -16.5143 -26.3411 -4.93474 -27.623 32.0596 -1.82165 -4.11205 -2.44975 7.59907 TIMING: 1721600 CPU: 5512.27, 0.00318033/step Wall: 5512.27, 0.00318033/step, 2.89622 hours remaining, 230.863281 MB of memory in use. ENERGY: 1721600 3997.0025 20558.3758 14594.4539 243.5024 -203660.2157 2524.0680 0.0000 0.0000 51975.1699 -109767.6432 298.7020 -161742.8131 -109400.0231 298.5292 27.5396 50.9617 761225.0946 7.5668 7.7148 PRESSURE: 1721800 287.336 144.932 148.572 144.933 81.7382 -219.843 148.572 -219.843 -201.888 GPRESSURE: 1721800 384.154 125.363 173.712 87.5017 214.231 -281.374 159.386 -143.693 -337.519 PRESSAVG: 1721800 -43.289 -36.7397 -38.0488 -36.7398 -16.2008 -50.9524 -38.0487 -50.9524 3.76819 GPRESSAVG: 1721800 -42.0744 -36.5072 -37.8735 -37.0777 -16.699 -49.392 -38.2066 -51.5324 3.11023 TIMING: 1721800 CPU: 5512.91, 0.0032036/step Wall: 5512.91, 0.0032036/step, 2.91723 hours remaining, 230.863281 MB of memory in use. ENERGY: 1721800 3968.2640 20416.7756 14638.3943 242.0265 -203485.8828 2594.0743 0.0000 0.0000 51784.5701 -109841.7780 297.6066 -161626.3481 -109491.9770 297.5471 55.7290 86.9553 760520.6011 -18.5739 -18.5544 PRESSURE: 1722000 -33.7271 317.814 -108.22 317.814 169.885 79.0513 -108.219 79.0509 -13.8856 GPRESSURE: 1722000 8.42195 356.132 -19.2607 258.652 175.564 68.3411 16.6853 134.242 49.8678 PRESSAVG: 1722000 47.6998 14.5023 13.0237 14.5023 -5.93964 -30.1225 13.0237 -30.1225 16.2203 GPRESSAVG: 1722000 47.1362 14.968 13.0245 15.5882 -5.69667 -32.2006 12.5837 -28.8337 16.182 TIMING: 1722000 CPU: 5513.55, 0.00320123/step Wall: 5513.55, 0.00320123/step, 2.9149 hours remaining, 230.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1722000 3995.4437 20462.8303 14607.0544 259.0236 -203486.2371 2388.3426 0.0000 0.0000 51823.0782 -109950.4643 297.8279 -161773.5425 -109590.1121 297.7529 40.7574 77.9514 759480.5905 19.3268 19.2072 PRESSURE: 1722200 163.535 -252.89 52.6051 -252.889 197.972 -8.1786 52.6056 -8.17875 119.836 GPRESSURE: 1722200 176.591 -148.489 10.1393 -305.891 243.007 37.5282 -13.447 25.3294 173.164 PRESSAVG: 1722200 14.9934 9.64296 56.23 9.6429 -23.0805 -5.83465 56.23 -5.83462 -11.9755 GPRESSAVG: 1722200 15.3018 9.67553 54.4709 8.88632 -23.9347 -5.46358 60.1042 -5.77475 -11.7801 TIMING: 1722200 CPU: 5514.19, 0.00318924/step Wall: 5514.19, 0.00318924/step, 2.9038 hours remaining, 230.863281 MB of memory in use. ENERGY: 1722200 4022.6961 20493.0745 14538.1749 232.4378 -203911.5814 2836.1026 0.0000 0.0000 51944.6822 -109844.4133 298.5268 -161789.0955 -109484.3488 298.0850 160.4477 197.5871 759542.1548 -6.6875 -6.8043 PRESSURE: 1722400 160.055 -174.773 252.288 -174.774 -131.634 -145.308 252.287 -145.307 26.6953 GPRESSURE: 1722400 236.211 -202.161 295.603 -117.399 -136.155 -77.7415 239.866 -171.371 31.6467 PRESSAVG: 1722400 29.2894 -14.4052 35.2106 -14.4051 -16.9143 32.8165 35.2106 32.8165 -2.22987 GPRESSAVG: 1722400 29.6643 -14.1 33.8002 -15.1748 -17.8344 33.206 32.2708 31.4791 -1.68836 TIMING: 1722400 CPU: 5514.82, 0.00317828/step Wall: 5514.82, 0.00317828/step, 2.89365 hours remaining, 230.863281 MB of memory in use. ENERGY: 1722400 4000.2864 20504.3071 14658.7911 254.8772 -203449.9249 2504.0091 0.0000 0.0000 51820.1671 -109707.4868 297.8112 -161527.6539 -109348.0529 297.9504 18.3723 43.9008 761191.5252 3.3818 3.3805 PRESSURE: 1722600 -13.9532 0.740356 -313 0.740532 -16.2225 104.911 -313.001 104.911 -48.0105 GPRESSURE: 1722600 19.2886 71.8212 -292.457 -65.4762 -16.5159 45.2176 -295.72 56.7452 7.88768 PRESSAVG: 1722600 12.1292 12.5851 -20.4752 12.585 0.115103 -32.0835 -20.4752 -32.0836 6.90163 GPRESSAVG: 1722600 12.5029 13.2823 -17.6555 11.7868 0.198361 -31.7354 -21.0679 -31.2743 6.79638 TIMING: 1722600 CPU: 5515.45, 0.00315805/step Wall: 5515.45, 0.00315805/step, 2.87505 hours remaining, 230.863281 MB of memory in use. ENERGY: 1722600 4013.3735 20338.7736 14564.6734 247.5520 -203631.8604 2701.8115 0.0000 0.0000 52149.1113 -109616.5651 299.7017 -161765.6765 -109245.0074 298.4953 -26.0621 3.5534 761914.6937 6.3820 6.4992 PRESSURE: 1722800 78.6018 -98.7307 108.133 -98.7305 333.037 260.748 108.132 260.748 -161.237 GPRESSURE: 1722800 158.465 -66.017 134.687 -112.781 364.958 181.726 28.0002 292.833 -193.244 PRESSAVG: 1722800 33.2728 6.9796 42.7611 6.97959 -64.737 11.4968 42.7611 11.4968 -2.08562 GPRESSAVG: 1722800 31.9294 5.52168 42.9048 6.26601 -63.438 10.4024 42.5779 10.2942 -1.59742 TIMING: 1722800 CPU: 5516.08, 0.00315802/step Wall: 5516.08, 0.00315802/step, 2.87485 hours remaining, 230.863281 MB of memory in use. ENERGY: 1722800 3992.3892 20494.8772 14535.2981 215.1487 -203743.4805 2761.7329 0.0000 0.0000 51952.5493 -109791.4851 298.5720 -161744.0344 -109437.6363 298.3517 83.4673 110.0597 760893.8486 -11.1833 -11.0353 PRESSURE: 1723000 130.675 -66.4097 -91.2045 -66.4097 41.948 -90.3662 -91.2043 -90.3658 91.1841 GPRESSURE: 1723000 142.012 -49.1787 29.6285 -125.517 127.696 -98.3607 -166.298 -162.943 59.7261 PRESSAVG: 1723000 -14.9228 5.11308 -11.3509 5.11306 6.00845 48.3406 -11.3508 48.3406 9.1181 GPRESSAVG: 1723000 -14.153 4.45189 -12.0318 6.25211 5.62258 47.8045 -9.62502 49.4104 8.2553 TIMING: 1723000 CPU: 5516.72, 0.00316666/step Wall: 5516.72, 0.00316666/step, 2.88254 hours remaining, 230.863281 MB of memory in use. ENERGY: 1723000 3977.0468 20545.9021 14615.9514 241.3709 -203443.6288 2320.6706 0.0000 0.0000 51821.2736 -109921.4135 297.8176 -161742.6871 -109552.2964 298.0632 87.9358 109.8114 761044.1531 0.0679 -0.0917 PRESSURE: 1723200 307.393 -178.312 114.098 -178.311 193.522 20.8695 114.098 20.8695 149.27 GPRESSURE: 1723200 319.038 -114.394 65.4907 -134.268 250.416 -24.959 119.623 -41.3623 158.504 PRESSAVG: 1723200 6.43718 -21.1121 -41.6302 -21.1121 9.90788 25.2238 -41.6302 25.2238 6.29672 GPRESSAVG: 1723200 5.55684 -21.387 -39.9431 -21.1118 10.7322 24.7294 -45.4026 26.2299 6.60277 TIMING: 1723200 CPU: 5517.36, 0.00318485/step Wall: 5517.36, 0.00318485/step, 2.89892 hours remaining, 230.863281 MB of memory in use. ENERGY: 1723200 3947.0214 20749.1962 14547.6645 249.3185 -203673.1537 2807.9865 0.0000 0.0000 51717.0960 -109654.8705 297.2189 -161371.9665 -109295.7291 298.5721 216.7285 242.6524 761359.4763 7.5473 7.6306 PRESSURE: 1723400 471.282 0.280947 -73.6486 0.280496 -41.3984 -246.769 -73.6484 -246.768 83.935 GPRESSURE: 1723400 547.524 55.0976 -130.906 -28.6744 -54.7959 -289.007 -82.8345 -82.427 90.5358 PRESSAVG: 1723400 -9.87218 -6.62338 -4.272 -6.62334 36.6114 29.5579 -4.27201 29.558 -13.7169 GPRESSAVG: 1723400 -10.135 -6.67279 -6.47777 -6.82412 36.1846 30.7113 -1.07091 27.7329 -12.8855 TIMING: 1723400 CPU: 5517.99, 0.00318041/step Wall: 5517.99, 0.00318041/step, 2.8947 hours remaining, 230.863281 MB of memory in use. ENERGY: 1723400 4005.8390 20573.0659 14633.0851 239.0583 -203706.8537 2585.8950 0.0000 0.0000 51992.7615 -109677.1489 298.8031 -161669.9104 -109326.0644 298.5471 171.2729 194.4212 760235.5501 4.3407 4.3880 PRESSURE: 1723600 -2.90653 -102.435 220.225 -102.435 158.897 7.51509 220.225 7.51559 96.0691 GPRESSURE: 1723600 65.2274 -18.9471 195.59 -157.606 196.511 -14.1723 347.91 -1.27097 65.2645 PRESSAVG: 1723600 1.88438 22.4616 4.47051 22.4616 19.2874 29.5241 4.47051 29.524 11.1112 GPRESSAVG: 1723600 3.56417 21.9066 6.54327 25.6854 18.1739 27.5764 1.30375 31.0132 10.2961 TIMING: 1723600 CPU: 5518.63, 0.00318102/step Wall: 5518.63, 0.00318102/step, 2.89508 hours remaining, 230.863281 MB of memory in use. ENERGY: 1723600 4005.5465 20392.6217 14552.1976 227.5333 -203661.1204 2669.9335 0.0000 0.0000 52069.8025 -109743.4853 299.2459 -161813.2878 -109378.0629 298.9831 84.0200 109.0009 762305.1417 10.7610 10.6781 PRESSURE: 1723800 -110.913 71.0392 -109.215 71.0393 -335.383 207.545 -109.216 207.545 -144.625 GPRESSURE: 1723800 -52.6938 31.7596 -106.92 104.564 -312.66 181.943 -40.6734 159.5 -129.688 PRESSAVG: 1723800 -2.00573 0.98062 -58.2665 0.980611 4.29465 0.324216 -58.2665 0.324246 -32.3826 GPRESSAVG: 1723800 -3.13274 2.96654 -60.1799 -1.20868 5.78712 1.49632 -56.0476 -1.65678 -32.0094 TIMING: 1723800 CPU: 5519.26, 0.00318338/step Wall: 5519.26, 0.00318338/step, 2.89705 hours remaining, 230.863281 MB of memory in use. ENERGY: 1723800 3956.8696 20489.4699 14599.8098 252.4576 -202977.6600 2259.9280 0.0000 0.0000 51817.5888 -109601.5363 297.7964 -161419.1251 -109233.1934 298.5556 -196.9735 -165.0140 762126.3958 -10.0312 -9.7850 PRESSURE: 1724000 -296.11 63.4578 -3.25536 63.4569 25.2378 162.016 -3.2555 162.014 36.2919 GPRESSURE: 1724000 -319.919 183.105 100.954 55.8626 150.612 189.063 -149.523 173.143 26.9427 PRESSAVG: 1724000 44.7725 12.7077 41.2816 12.7076 -41.9907 -19.7551 41.2816 -19.7551 12.7378 GPRESSAVG: 1724000 46.1095 11.5898 42.2632 13.1394 -41.8339 -17.6717 40.0444 -18.9453 11.8012 TIMING: 1724000 CPU: 5519.9, 0.0031855/step Wall: 5519.9, 0.0031855/step, 2.89881 hours remaining, 230.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1724000 3947.1183 20391.7915 14563.2719 244.2409 -203440.3258 2382.9667 0.0000 0.0000 52209.8207 -109701.1159 300.0506 -161910.9366 -109333.3751 298.7160 -78.1935 -47.4547 760193.1103 5.1732 5.3589 PRESSURE: 1724200 -162.682 -123.565 85.806 -123.565 -66.7274 -0.422106 85.8044 -0.422066 -6.61518 GPRESSURE: 1724200 -133.179 -179.528 17.0161 -86.2674 51.9172 47.858 64.621 18.7286 -52.1627 PRESSAVG: 1724200 -34.7439 19.7035 -7.85782 19.7035 75.8644 -12.0894 -7.85772 -12.0894 22.0544 GPRESSAVG: 1724200 -35.0635 19.1527 -8.70591 19.7544 76.0014 -13.0764 -7.39363 -10.8065 21.6512 TIMING: 1724200 CPU: 5520.54, 0.00318894/step Wall: 5520.54, 0.00318894/step, 2.90176 hours remaining, 230.863281 MB of memory in use. ENERGY: 1724200 4040.4997 20441.9889 14557.4135 263.6818 -203578.6988 2556.2913 0.0000 0.0000 52209.8755 -109508.9481 300.0509 -161718.8237 -109148.7073 298.8338 -78.6747 -44.4749 760855.3979 21.0583 20.8630 LDB: ============= START OF LOAD BALANCING ============== 5532.96 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5532.96 LDB: =============== DONE WITH MIGRATION ================ 5532.97 LDB: ============= START OF LOAD BALANCING ============== 5533.28 LDB: Largest compute 7033 load 0.033970 is 17.4% of average load 0.195342 LDB: Average compute 0.004406 is 2.3% of average load 0.195342 LDB: TIME 5533.29 LOAD: AVG 0.195342 MAX 0.21529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.176 MB LDB: TIME 5533.29 LOAD: AVG 0.195342 MAX 0.21529 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: TIME 5533.29 LOAD: AVG 0.195342 MAX 0.21529 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: ============== END OF LOAD BALANCING =============== 5533.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5533.3 PRESSURE: 1724400 15.7992 206.664 238.086 206.665 -172.275 -109.739 238.086 -109.739 438.363 GPRESSURE: 1724400 73.3429 271.856 270.786 171.437 -136.28 -142.329 186.703 -126.108 438.994 PRESSAVG: 1724400 14.2772 34.2222 6.13161 34.2222 33.8046 -14.1262 6.13163 -14.1261 14.7617 GPRESSAVG: 1724400 15.349 35.3673 5.60134 33.0773 31.8341 -14.6353 8.37647 -14.1883 15.9709 TIMING: 1724400 CPU: 5521.19, 0.00325314/step Wall: 5521.19, 0.00325314/step, 2.96 hours remaining, 231.570312 MB of memory in use. ENERGY: 1724400 4022.7004 20478.9201 14621.4113 273.8559 -203689.1613 2756.5724 0.0000 0.0000 52047.2544 -109488.4468 299.1163 -161535.7012 -109116.8343 299.1029 93.9624 125.3523 761188.0392 20.9478 21.0513 PRESSURE: 1724600 -345.527 86.4755 131.48 86.475 -225.684 -5.37251 131.479 -5.37258 108.93 GPRESSURE: 1724600 -263.304 26.8695 173.762 66.9724 -139.754 -28.9684 137.702 35.3005 18.2557 PRESSAVG: 1724600 24.1836 49.623 9.96704 49.6231 -3.31634 -36.4601 9.96709 -36.4602 -9.5435 GPRESSAVG: 1724600 22.6842 49.8148 11.1227 49.9583 -2.18673 -37.6681 7.19474 -34.3647 -8.80839 TIMING: 1724600 CPU: 5521.83, 0.00317904/step Wall: 5521.83, 0.00317904/step, 2.89239 hours remaining, 231.640625 MB of memory in use. ENERGY: 1724600 3949.9700 20595.7855 14539.3735 254.2787 -203119.1605 2496.1976 0.0000 0.0000 51973.8468 -109309.7085 298.6944 -161283.5553 -108940.7084 299.1180 -154.0937 -128.2674 763044.6558 3.7746 3.8963 PRESSURE: 1724800 -351.485 -5.20728 171.67 -5.20671 -156.939 -120.87 171.67 -120.872 -172.81 GPRESSURE: 1724800 -251.098 13.7965 232.128 -127.983 -126.857 -42.0313 126.166 -112.061 -187.559 PRESSAVG: 1724800 -53.1738 12.3438 18.2896 12.3438 -0.835029 -1.53669 18.2896 -1.5367 5.69419 GPRESSAVG: 1724800 -51.8276 8.8483 17.8689 13.7744 -0.189554 -0.253234 18.3493 -3.53052 4.22281 TIMING: 1724800 CPU: 5522.46, 0.00318717/step Wall: 5522.46, 0.00318717/step, 2.89961 hours remaining, 231.640625 MB of memory in use. ENERGY: 1724800 3999.9242 20375.0730 14580.5377 239.8213 -202943.3325 2399.2324 0.0000 0.0000 51960.0274 -109388.7164 298.6150 -161348.7437 -109028.3759 299.1204 -227.0779 -188.5047 763331.1201 -16.1049 -15.9314 PRESSURE: 1725000 -81.5831 40.1499 4.38604 40.1493 155.92 70.3057 4.38711 70.3053 134.896 GPRESSURE: 1725000 18.4012 76.2387 10.0169 64.4347 157.709 106.302 -2.63588 -88.7147 124.306 PRESSAVG: 1725000 53.5351 31.8806 -0.133687 31.8806 -9.35474 -14.8886 -0.133679 -14.8886 11.5389 GPRESSAVG: 1725000 52.999 34.2959 -0.125301 32.5579 -9.27953 -12.9699 -0.684848 -17.0058 12.2296 TIMING: 1725000 CPU: 5523.1, 0.0031834/step Wall: 5523.1, 0.0031834/step, 2.89601 hours remaining, 231.640625 MB of memory in use. ENERGY: 1725000 4028.8857 20461.8837 14588.1543 245.9363 -204048.4148 2977.1141 0.0000 0.0000 52425.9185 -109320.5221 301.2925 -161746.4406 -108951.8853 299.1368 69.7441 100.1387 761288.1953 18.5731 18.6497 PRESSURE: 1725200 137.836 -5.27936 49.9812 -5.28066 110.023 104.825 49.9814 104.825 573.875 GPRESSURE: 1725200 154.337 -34.5567 34.4311 120.579 244.784 130.946 82.5444 110.654 495.095 PRESSAVG: 1725200 0.0607249 42.5338 31.0032 42.5338 9.53758 -43.9272 31.0032 -43.9272 -13.2311 GPRESSAVG: 1725200 0.254198 42.9022 30.2968 41.2379 10.2121 -43.7675 32.1561 -43.2545 -13.4019 TIMING: 1725200 CPU: 5523.74, 0.00319313/step Wall: 5523.74, 0.00319313/step, 2.90468 hours remaining, 231.640625 MB of memory in use. ENERGY: 1725200 4021.2078 20496.5656 14618.4335 236.6895 -203429.1745 2798.6035 0.0000 0.0000 52074.4523 -109183.2221 299.2726 -161257.6745 -108821.6558 299.4531 273.9114 298.0718 761512.5929 -1.2109 -0.9785 PRESSURE: 1725400 18.7883 70.1031 121.633 70.1033 -41.316 -292.65 121.631 -292.652 4.44103 GPRESSURE: 1725400 37.4087 152.28 40.0331 -33.1475 -9.01073 -321.917 32.1887 -245.337 36.2995 PRESSAVG: 1725400 18.0086 31.334 8.30139 31.334 25.4857 12.5681 8.30137 12.5681 0.668076 GPRESSAVG: 1725400 17.9616 30.3126 7.44193 29.6521 25.9315 10.4105 8.32691 14.7059 1.40258 TIMING: 1725400 CPU: 5524.38, 0.00320395/step Wall: 5524.38, 0.00320395/step, 2.91435 hours remaining, 231.640625 MB of memory in use. ENERGY: 1725400 3998.0823 20573.1085 14554.1855 225.7859 -203574.8129 2821.8098 0.0000 0.0000 51982.2579 -109419.5830 298.7428 -161401.8409 -109060.4438 299.3210 -6.0289 21.5658 763048.9871 14.7208 15.0986 PRESSURE: 1725600 -129.088 138.421 -250.377 138.42 89.5406 -170.568 -250.378 -170.568 -136.062 GPRESSURE: 1725600 -145.061 9.88911 -268.894 37.2259 56.2006 -186.092 -200.165 -211.834 -1.34648 PRESSAVG: 1725600 -12.0342 -7.17242 28.3959 -7.17239 23.8841 4.58791 28.3959 4.5878 -6.16486 GPRESSAVG: 1725600 -12.5174 -7.19102 28.1321 -6.63119 22.42 4.40703 30.7736 4.81624 -4.57054 TIMING: 1725600 CPU: 5525.02, 0.00321061/step Wall: 5525.02, 0.00321061/step, 2.92023 hours remaining, 231.640625 MB of memory in use. ENERGY: 1725600 4002.4312 20344.0912 14570.9959 253.5948 -203597.6269 2769.8419 0.0000 0.0000 52113.4691 -109543.2027 299.4968 -161656.6718 -109182.9491 299.1482 -58.5364 -30.0689 760183.7128 1.8950 1.7774 PRESSURE: 1725800 -127.54 -15.8424 -108.891 -15.8421 44.3903 280.543 -108.891 280.543 127.479 GPRESSURE: 1725800 -25.2934 148.27 -111.307 -7.53027 64.6687 296.073 -117.967 217.147 69.0034 PRESSAVG: 1725800 44.3464 -7.6946 -43.762 -7.69462 -21.4261 -23.4585 -43.7619 -23.4585 -28.1317 GPRESSAVG: 1725800 44.0925 -6.88498 -43.1312 -7.8551 -20.8757 -22.2053 -45.0639 -24.8114 -28.4673 TIMING: 1725800 CPU: 5525.66, 0.00320395/step Wall: 5525.66, 0.00320395/step, 2.91399 hours remaining, 231.640625 MB of memory in use. ENERGY: 1725800 3965.1589 20379.3375 14548.9063 243.7029 -203669.3627 2695.9597 0.0000 0.0000 52191.0460 -109645.2513 299.9427 -161836.2974 -109283.9914 298.4630 14.7765 36.1262 759546.5015 -1.7371 -1.7502 PRESSURE: 1726000 55.105 -75.8862 143.615 -75.8868 191.581 -244.606 143.615 -244.606 -248.252 GPRESSURE: 1726000 94.4581 -97.4364 186.929 -70.6551 274.213 -247.607 196.61 -118.409 -267.21 PRESSAVG: 1726000 24.5089 24.0665 -35.3285 24.0665 -41.3073 -16.9317 -35.3285 -16.9317 5.06149 GPRESSAVG: 1726000 25.4748 23.3913 -35.0514 26.1533 -41.6082 -16.7763 -34.7314 -16.4481 4.33755 TIMING: 1726000 CPU: 5526.3, 0.00319877/step Wall: 5526.3, 0.00319877/step, 2.9091 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 3977.9876 20379.7808 14603.4223 257.4838 -203337.1566 2734.5705 0.0000 0.0000 51789.0154 -109594.8962 297.6322 -161383.9116 -109237.3638 297.9915 -0.5220 33.8204 760816.6414 -3.9123 -3.9319 PRESSURE: 1726200 -267.822 -50.2615 35.7393 -50.2611 -183.605 -153.919 35.7393 -153.92 -50.7739 GPRESSURE: 1726200 -177.502 -21.5595 146.575 -77.1697 -132.477 -104.277 -31.0814 -126.099 -99.8207 PRESSAVG: 1726200 18.9236 -5.96513 -27.7022 -5.9652 14.8609 -61.0492 -27.7023 -61.0492 0.182595 GPRESSAVG: 1726200 18.914 -6.25981 -26.622 -6.27908 15.9061 -61.2432 -27.8461 -60.9179 -1.03123 TIMING: 1726200 CPU: 5526.94, 0.00317419/step Wall: 5526.94, 0.00317419/step, 2.88657 hours remaining, 231.640625 MB of memory in use. ENERGY: 1726200 4039.2642 20296.9975 14600.9747 252.8387 -203137.9422 2340.9680 0.0000 0.0000 51933.4113 -109673.4879 298.4620 -161606.8992 -109302.8516 298.5238 -167.4002 -136.5996 759738.6472 11.3224 11.2630 PRESSURE: 1726400 -21.2333 -116.066 122.356 -116.066 -149.303 -106.434 122.355 -106.434 74.4415 GPRESSURE: 1726400 11.2595 4.14967 145.113 -139.584 -108.858 -225.374 74.9494 -5.1404 84.2213 PRESSAVG: 1726400 25.8172 -55.8394 17.6515 -55.8395 -13.9503 -22.1466 17.6515 -22.1467 27.6122 GPRESSAVG: 1726400 26.2758 -54.4387 17.5615 -56.4112 -15.5228 -22.1334 17.09 -21.5936 28.6174 TIMING: 1726400 CPU: 5527.57, 0.003183/step Wall: 5527.57, 0.003183/step, 2.89441 hours remaining, 231.640625 MB of memory in use. ENERGY: 1726400 3968.2003 20530.3130 14561.9050 255.3739 -203130.3488 2506.0640 0.0000 0.0000 51777.4842 -109531.0084 297.5659 -161308.4926 -109185.6263 298.4932 -32.0317 -4.4591 761094.0551 13.1597 13.1235 PRESSURE: 1726600 192.29 204.728 0.0825873 204.728 263.779 99.5657 0.0823944 99.5647 -77.6572 GPRESSURE: 1726600 240.174 176.288 -110.15 117.294 306.554 66.8841 -76.9554 19.582 -77.8487 PRESSAVG: 1726600 40.8001 -2.37131 6.39693 -2.37126 -46.2306 8.56149 6.39691 8.56151 -14.5444 GPRESSAVG: 1726600 39.4978 -3.97604 7.71322 -3.14603 -46.1512 10.2227 5.19346 7.06799 -12.6514 TIMING: 1726600 CPU: 5528.21, 0.00318485/step Wall: 5528.21, 0.00318485/step, 2.89591 hours remaining, 231.640625 MB of memory in use. ENERGY: 1726600 3949.9176 20467.0195 14513.7936 244.0503 -203655.2659 2903.1185 0.0000 0.0000 51911.9225 -109665.4439 298.3385 -161577.3665 -109294.1818 298.8649 126.1371 156.2928 760100.9037 -6.6583 -6.4350 PRESSURE: 1726800 66.1406 -192.237 17.1729 -192.237 -45.3887 49.5231 17.1728 49.5237 -457.23 GPRESSURE: 1726800 88.9622 -189.92 -0.328229 -162.12 22.2306 82.6374 69.7253 119.76 -469.245 PRESSAVG: 1726800 -56.0114 2.82179 -30.25 2.82177 8.81604 15.5208 -30.25 15.5208 -23.6397 GPRESSAVG: 1726800 -55.6387 3.94302 -33.1264 3.43695 10.1587 14.2236 -29.1489 16.278 -26.0177 TIMING: 1726800 CPU: 5528.85, 0.00319601/step Wall: 5528.85, 0.00319601/step, 2.90588 hours remaining, 231.640625 MB of memory in use. ENERGY: 1726800 4050.5406 20538.8225 14548.0493 248.5821 -203466.6685 2507.5703 0.0000 0.0000 51765.6889 -109807.4147 297.4981 -161573.1036 -109445.5252 298.6246 -145.4926 -119.3509 761813.7650 -23.6117 -23.8326 PRESSURE: 1727000 -120.499 149.044 -161.891 149.043 -5.26726 -26.8132 -161.891 -26.8138 -179.356 GPRESSURE: 1727000 -84.5892 140.02 -109.064 -17.0661 52.3507 -69.3218 -119.908 4.98304 -215.134 PRESSAVG: 1727000 -90.8803 -3.90676 -3.54206 -3.90676 67.274 -22.1937 -3.54208 -22.1937 -3.51794 GPRESSAVG: 1727000 -91.1389 -2.68 -2.44862 -3.55568 65.9075 -23.1381 -1.16653 -21.0447 -1.95586 TIMING: 1727000 CPU: 5529.48, 0.00315112/step Wall: 5529.48, 0.00315112/step, 2.86489 hours remaining, 231.640625 MB of memory in use. ENERGY: 1727000 3919.0492 20473.7317 14610.6778 256.7068 -203632.5876 2733.8043 0.0000 0.0000 51875.5657 -109763.0520 298.1296 -161638.6177 -109407.1203 298.0540 -101.7075 -82.4575 762234.8202 -9.0414 -9.0624 PRESSURE: 1727200 -328.529 105.436 240.189 105.435 -498.361 -22.7052 240.189 -22.7048 -198.785 GPRESSURE: 1727200 -435.351 155.968 180.013 97.6218 -373.3 -100.246 305.906 -75.9868 -128.394 PRESSAVG: 1727200 17.0817 77.603 27.0025 77.603 25.9516 -6.66768 27.0025 -6.66761 25.4497 GPRESSAVG: 1727200 16.865 76.2918 27.6733 78.8944 26.2657 -6.34946 26.5182 -7.60313 25.4466 TIMING: 1727200 CPU: 5530.11, 0.00317468/step Wall: 5530.11, 0.00317468/step, 2.88613 hours remaining, 231.640625 MB of memory in use. ENERGY: 1727200 3982.3198 20493.1028 14539.5094 252.1641 -203062.4175 2146.9270 0.0000 0.0000 51843.0736 -109805.3207 297.9429 -161648.3944 -109447.4703 298.3966 -341.8917 -312.3483 760765.9564 22.8277 22.8591 PRESSURE: 1727400 -296.149 120.387 24.387 120.387 74.306 -76.1928 24.3877 -76.1922 -1.17807 GPRESSURE: 1727400 -348.367 127.252 35.5367 168.231 170.682 -3.90157 161.602 -81.4045 46.6465 PRESSAVG: 1727400 19.9435 10.0446 31.0826 10.0445 -23.8086 -12.6688 31.0826 -12.6688 -15.3168 GPRESSAVG: 1727400 19.9078 7.03179 30.9777 10.2193 -22.2667 -12.2738 29.4678 -11.3225 -16.1142 TIMING: 1727400 CPU: 5530.75, 0.0031907/step Wall: 5530.75, 0.0031907/step, 2.90052 hours remaining, 231.640625 MB of memory in use. ENERGY: 1727400 3916.0750 20548.9176 14551.1512 248.4883 -203443.7599 2610.8530 0.0000 0.0000 51768.0213 -109800.2534 297.5115 -161568.2746 -109438.1997 298.3691 -74.3404 -43.6794 760733.5871 -6.3940 -6.1577 PRESSURE: 1727600 -189.515 -135.618 -118.641 -135.619 -35.6781 -152.415 -118.641 -152.415 -136.73 GPRESSURE: 1727600 -82.4348 -128.652 -61.3224 -23.052 -8.4627 -148.819 -141.928 -107.169 -187.11 PRESSAVG: 1727600 -6.39538 -0.573308 30.2159 -0.57335 -8.39882 12.9508 30.2159 12.9507 3.64599 GPRESSAVG: 1727600 -4.77412 0.601233 30.039 -1.71868 -9.4666 14.2277 31.8506 9.47755 3.50984 TIMING: 1727600 CPU: 5531.39, 0.00318105/step Wall: 5531.39, 0.00318105/step, 2.89158 hours remaining, 231.640625 MB of memory in use. ENERGY: 1727600 3937.2706 20460.7462 14616.9742 251.8363 -203460.1569 2609.6801 0.0000 0.0000 51988.7996 -109594.8499 298.7803 -161583.6495 -109219.6024 298.5432 -120.6412 -92.6691 759804.5386 -3.7161 -3.5770 PRESSURE: 1727800 -116.735 357.459 -57.6689 357.459 73.441 168.128 -57.6687 168.128 -24.3956 GPRESSURE: 1727800 -111.136 251.914 -80.342 231.028 91.7284 11.8368 14.8703 215.987 46.5977 PRESSAVG: 1727800 -1.56926 3.18061 -4.51639 3.18065 -32.6854 15.4377 -4.51635 15.4377 -4.4328 GPRESSAVG: 1727800 -0.978064 4.78727 -3.48467 1.96608 -33.3998 15.4132 -6.06807 16.7329 -4.36982 TIMING: 1727800 CPU: 5532.02, 0.00317212/step Wall: 5532.02, 0.00317212/step, 2.88328 hours remaining, 231.640625 MB of memory in use. ENERGY: 1727800 4007.1943 20475.1143 14534.9782 261.4814 -203370.7516 2577.9868 0.0000 0.0000 52086.0953 -109427.9013 299.3395 -161513.9966 -109079.0934 299.0568 -22.5633 9.0632 762605.6939 -12.8958 -12.9159 PRESSURE: 1728000 -262.602 22.2725 55.1315 22.2729 -120.333 218.401 55.1312 218.401 -305.48 GPRESSURE: 1728000 -225.369 134.188 166.054 -23.8106 -105.965 196.493 15.1286 218.877 -262.346 PRESSAVG: 1728000 11.5987 -16.0291 5.62389 -16.0291 -10.3118 31.4757 5.62388 31.4758 10.7988 GPRESSAVG: 1728000 10.7309 -16.9059 6.68539 -14.3762 -10.0391 30.0488 7.13923 32.4832 11.1357 TIMING: 1728000 CPU: 5532.66, 0.00317717/step Wall: 5532.66, 0.00317717/step, 2.88769 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 3969.7417 20483.0835 14537.0437 259.7170 -203327.0868 2480.2983 0.0000 0.0000 51966.8269 -109630.3756 298.6541 -161597.2026 -109276.5161 298.6803 -229.4716 -197.8937 761389.6093 4.0286 3.9425 PRESSURE: 1728200 78.725 -1.48994 29.9612 -1.48981 -280.584 -170.965 29.9618 -170.965 22.002 GPRESSURE: 1728200 47.486 36.0245 -5.70521 7.87783 -169.141 -214.005 27.4478 -55.8658 27.6597 PRESSAVG: 1728200 -35.9419 3.94615 -0.191049 3.9462 31.1653 -8.84218 -0.191049 -8.84214 -16.854 GPRESSAVG: 1728200 -36.0168 3.90105 -0.751206 2.77386 30.4979 -7.69486 -0.553738 -8.42409 -16.6407 TIMING: 1728200 CPU: 5533.29, 0.00317014/step Wall: 5533.29, 0.00317014/step, 2.88113 hours remaining, 231.640625 MB of memory in use. ENERGY: 1728200 3985.2526 20498.5194 14540.8454 253.5154 -203275.1405 2540.0242 0.0000 0.0000 51914.8595 -109542.1240 298.3554 -161456.9835 -109186.4766 298.7634 -59.9522 -31.3318 759099.3895 -7.2102 -7.3865 LDB: ============= START OF LOAD BALANCING ============== 5545.72 LDB: ============== END OF LOAD BALANCING =============== 5545.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5545.72 LDB: ============= START OF LOAD BALANCING ============== 5546.04 LDB: Largest compute 7033 load 0.032552 is 16.7% of average load 0.195335 LDB: Average compute 0.004410 is 2.3% of average load 0.195335 LDB: TIME 5546.04 LOAD: AVG 0.195335 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.852 MB LDB: TIME 5546.04 LOAD: AVG 0.195335 MAX 0.216164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.016 MB LDB: TIME 5546.04 LOAD: AVG 0.195335 MAX 0.216164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.016 MB LDB: ============== END OF LOAD BALANCING =============== 5546.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5546.05 PRESSURE: 1728400 131.62 10.5809 -30.2748 10.5805 189.393 -37.0859 -30.2748 -37.0858 22.0606 GPRESSURE: 1728400 202.2 6.90334 -58.3704 -3.36914 233.632 -29.0313 -16.5164 34.9553 -13.8862 PRESSAVG: 1728400 -44.0741 11.5385 42.687 11.5385 36.4453 9.31709 42.687 9.31707 21.219 GPRESSAVG: 1728400 -44.0217 13.546 43.7775 10.5769 36.2691 7.29595 41.0597 9.04741 21.1679 TIMING: 1728400 CPU: 5533.94, 0.00324413/step Wall: 5533.94, 0.00324413/step, 2.94819 hours remaining, 232.785156 MB of memory in use. ENERGY: 1728400 3984.6724 20538.2894 14525.1842 232.5378 -203373.9924 2426.0473 0.0000 0.0000 52233.8608 -109433.4005 300.1887 -161667.2613 -109072.4356 299.1248 114.3578 140.6486 760080.7688 4.5300 4.4718 PRESSURE: 1728600 114.047 -117.786 184.686 -117.787 -53.6315 11.4243 184.687 11.4251 130.39 GPRESSURE: 1728600 202.64 -48.552 194.047 -79.8544 -66.2867 -42.681 131.399 17.9659 146.611 PRESSAVG: 1728600 58.3357 -4.13091 47.375 -4.13095 -67.0861 30.7725 47.3749 30.7725 11.671 GPRESSAVG: 1728600 58.2404 -3.97113 45.808 -2.7105 -66.9238 30.5897 47.4496 29.8631 11.6877 TIMING: 1728600 CPU: 5534.57, 0.0031682/step Wall: 5534.57, 0.0031682/step, 2.87901 hours remaining, 232.984375 MB of memory in use. ENERGY: 1728600 4013.3939 20642.8702 14553.1326 258.6187 -203746.7055 2854.8291 0.0000 0.0000 51816.7189 -109607.1420 297.7914 -161423.8609 -109249.4568 298.5535 63.6019 94.3213 760248.1652 0.9735 1.0015 PRESSURE: 1728800 525.983 -105.694 38.8863 -105.693 51.8268 -1.93765 38.8866 -1.93713 213.026 GPRESSURE: 1728800 531.217 -8.40405 113.734 -9.59084 40.1134 -23.2475 9.21685 50.3398 268.689 PRESSAVG: 1728800 61.4511 55.3656 69.8619 55.3655 -41.6701 -0.634397 69.8619 -0.634344 -18.8121 GPRESSAVG: 1728800 61.3883 53.3551 70.4719 54.6034 -40.961 0.179954 71.1119 0.540353 -18.9394 TIMING: 1728800 CPU: 5535.21, 0.00318887/step Wall: 5535.21, 0.00318887/step, 2.89762 hours remaining, 232.984375 MB of memory in use. ENERGY: 1728800 3943.0928 20551.0447 14624.1131 260.9451 -204056.8214 2882.8799 0.0000 0.0000 52155.6188 -109639.1272 299.7391 -161794.7460 -109277.9554 299.3384 263.6120 280.0066 762181.0633 0.3229 0.4959 PRESSURE: 1729000 94.9225 -47.5693 -89.3892 -47.5686 -284.673 390.831 -89.3888 390.831 -130.088 GPRESSURE: 1729000 107.94 31.7856 10.4998 -54.3152 -212.281 399.163 -112.743 231.052 -113.979 PRESSAVG: 1729000 65.5097 1.47544 40.4171 1.47544 -58.9777 29.8263 40.4171 29.8262 -12.1647 GPRESSAVG: 1729000 65.6913 1.0264 41.4617 1.1683 -58.7066 29.885 39.4821 29.7074 -12.7464 TIMING: 1729000 CPU: 5535.85, 0.00316801/step Wall: 5535.85, 0.00316801/step, 2.87849 hours remaining, 232.984375 MB of memory in use. ENERGY: 1729000 3890.1557 20473.9513 14548.7816 259.1953 -203865.8990 2843.0123 0.0000 0.0000 52149.2802 -109701.5227 299.7026 -161850.8029 -109330.9362 298.9743 -106.6129 -72.7732 761477.2221 -1.8776 -1.9206 PRESSURE: 1729200 121.226 54.0369 159.077 54.0374 238.063 -55.2947 159.076 -55.295 141.59 GPRESSURE: 1729200 211.348 125.072 145.886 77.8884 249.712 -85.2119 64.8886 -27.7465 135.22 PRESSAVG: 1729200 51.65 -4.47415 -7.7822 -4.47414 -34.5467 22.7323 -7.78225 22.7324 6.10946 GPRESSAVG: 1729200 52.3726 -2.08235 -8.98755 -4.74816 -35.1706 22.6943 -9.96921 23.9536 6.12016 TIMING: 1729200 CPU: 5536.48, 0.00316012/step Wall: 5536.48, 0.00316012/step, 2.87114 hours remaining, 232.984375 MB of memory in use. ENERGY: 1729200 3947.6583 20539.6259 14474.6793 247.2458 -204023.7791 2992.5692 0.0000 0.0000 52163.6333 -109658.3672 299.7851 -161822.0005 -109298.9013 298.6827 166.9598 198.7600 759483.0151 7.7376 7.7740 PRESSURE: 1729400 -203.698 -214.638 -112.476 -214.639 -27.3691 86.3055 -112.476 86.3063 256.498 GPRESSURE: 1729400 -108.437 -207.74 -155.505 -284.815 0.998593 66.8465 105.874 -57.9929 227.09 PRESSAVG: 1729400 47.3599 -16.7404 47.9124 -16.7404 -38.2514 36.1701 47.9124 36.1701 -2.70168 GPRESSAVG: 1729400 47.3612 -17.4825 46.6867 -16.5485 -38.7633 37.8303 52.4353 32.4038 -2.61253 TIMING: 1729400 CPU: 5537.11, 0.00316131/step Wall: 5537.11, 0.00316131/step, 2.87205 hours remaining, 233.242188 MB of memory in use. ENERGY: 1729400 3980.0676 20511.0706 14634.9995 214.7112 -203872.9441 2722.9941 0.0000 0.0000 52005.8536 -109803.2476 298.8784 -161809.1011 -109438.5154 298.8311 8.4769 39.8838 760000.7315 2.1356 1.9951 PRESSURE: 1729600 -25.6331 -224.223 -140.973 -224.224 -232.637 54.5636 -140.973 54.5636 -49.1636 GPRESSURE: 1729600 -58.2416 -142.454 -157.866 -241.823 -117.078 -12.1939 -109.012 278.997 -36.7658 PRESSAVG: 1729600 11.1906 -24.4984 57.8413 -24.4984 -3.20853 14.8368 57.8413 14.8367 8.24219 GPRESSAVG: 1729600 9.87413 -22.9526 60.7584 -25.0897 -1.29547 13.3928 54.8376 17.3326 8.0325 TIMING: 1729600 CPU: 5537.74, 0.00316046/step Wall: 5537.74, 0.00316046/step, 2.87111 hours remaining, 233.242188 MB of memory in use. ENERGY: 1729600 4010.6703 20599.1749 14602.2113 245.3509 -203938.4462 2838.9010 0.0000 0.0000 51764.4260 -109877.7118 297.4909 -161642.1377 -109518.7001 298.5739 -102.4779 -70.6951 760411.9340 5.4081 5.5371 PRESSURE: 1729800 57.8331 -196.488 -27.8851 -196.488 148.768 -63.5504 -27.8846 -63.55 -250.798 GPRESSURE: 1729800 -7.26313 -131.502 74.541 -227.403 198.384 -32.4394 -92.7779 -45.9203 -145.641 PRESSAVG: 1729800 -11.4172 -36.255 7.83659 -36.2551 -21.6032 -33.4865 7.83651 -33.4865 -14.513 GPRESSAVG: 1729800 -11.546 -35.9115 5.87442 -37.4296 -22.8542 -34.2001 7.01015 -33.7806 -13.4239 TIMING: 1729800 CPU: 5538.37, 0.00314644/step Wall: 5538.37, 0.00314644/step, 2.85819 hours remaining, 233.242188 MB of memory in use. ENERGY: 1729800 4047.5311 20475.8999 14569.3578 238.1915 -204050.3086 2948.2656 0.0000 0.0000 51781.8132 -109989.2495 297.5908 -161771.0628 -109624.0626 298.2137 -14.7320 15.1598 760462.4238 -15.8444 -15.9414 PRESSURE: 1730000 102.81 161.364 -180.095 161.364 -117.906 99.4328 -180.095 99.4321 14.0199 GPRESSURE: 1730000 123.833 88.8658 -167.905 80.5827 -26.9317 151.813 -172.604 99.776 -6.41972 PRESSAVG: 1730000 -42.3018 -3.60282 6.93851 -3.60279 40.595 11.572 6.93848 11.5721 -23.7423 GPRESSAVG: 1730000 -41.6149 -3.98083 7.5669 -3.83962 40.7125 12.2632 7.16325 11.9819 -25.0932 TIMING: 1730000 CPU: 5539, 0.00315672/step Wall: 5539, 0.00315672/step, 2.86736 hours remaining, 233.242188 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: 1730000 4012.3011 20670.2410 14511.3456 244.2350 -203767.4166 2404.8187 0.0000 0.0000 52121.5790 -109802.8961 299.5434 -161924.4751 -109445.3567 298.3862 -0.3587 30.1606 759147.9747 -8.4831 -8.6652 PRESSURE: 1730200 -14.2081 -114.237 154.54 -114.237 -349.4 364.519 154.54 364.519 69.3479 GPRESSURE: 1730200 170.794 -66.4804 124.359 -190.134 -414.907 436.901 250.959 218.327 25.5897 PRESSAVG: 1730200 63.8554 -3.58101 8.20774 -3.58104 -50.4574 10.0246 8.20773 10.0247 14.2712 GPRESSAVG: 1730200 64.2833 -3.8828 6.60782 -0.593741 -51.2148 9.3781 11.1162 9.60785 14.7913 TIMING: 1730200 CPU: 5539.64, 0.00319771/step Wall: 5539.64, 0.00319771/step, 2.90441 hours remaining, 233.242188 MB of memory in use. ENERGY: 1730200 4111.1450 20685.3514 14510.1801 259.6802 -203745.5784 2390.2517 0.0000 0.0000 52053.7643 -109735.2058 299.1537 -161788.9700 -109371.5334 298.6397 -98.0868 -72.8411 759984.5007 9.2231 9.2866 PRESSURE: 1730400 9.03203 115.945 102.019 115.945 33.9899 -14.7813 102.019 -14.7818 -101.555 GPRESSURE: 1730400 -3.26845 84.6809 105.674 164.475 49.8593 47.4101 142.203 -49.135 -7.05685 PRESSAVG: 1730400 20.8582 -31.4477 58.2605 -31.4476 -71.2296 10.0744 58.2605 10.0743 5.50734 GPRESSAVG: 1730400 20.4752 -30.6834 59.8067 -30.3324 -71.2852 11.1618 55.7564 9.89078 5.84045 TIMING: 1730400 CPU: 5540.28, 0.00317738/step Wall: 5540.28, 0.00317738/step, 2.88577 hours remaining, 233.242188 MB of memory in use. ENERGY: 1730400 4072.6266 20555.7684 14520.8333 236.9463 -203923.5728 2672.4490 0.0000 0.0000 51930.1545 -109934.7948 298.4433 -161864.9493 -109565.4048 298.2463 -19.5111 13.1780 759604.9303 -14.9547 -14.9898 PRESSURE: 1730600 199.394 98.3072 185.525 98.3072 -286.852 -91.7098 185.525 -91.7091 205.281 GPRESSURE: 1730600 112.448 37.086 166.077 109.564 -48.611 -120.184 135.723 -170.811 128.207 PRESSAVG: 1730600 31.6694 41.7561 61.9674 41.7561 -53.4931 -18.5345 61.9674 -18.5344 4.99396 GPRESSAVG: 1730600 30.7913 42.7242 60.6591 38.6033 -53.7409 -19.183 61.2346 -19.7995 5.34002 TIMING: 1730600 CPU: 5540.91, 0.00314981/step Wall: 5540.91, 0.00314981/step, 2.86055 hours remaining, 233.242188 MB of memory in use. ENERGY: 1730600 3887.7320 20687.1368 14563.3680 250.1323 -203781.2344 2610.9138 0.0000 0.0000 51804.5960 -109977.3556 297.7217 -161781.9516 -109615.2385 298.7029 39.2747 64.0145 762424.0240 -5.6099 -5.8699 PRESSURE: 1730800 333.133 -84.9118 167.185 -84.9109 190.546 -13.9948 167.185 -13.9947 205.818 GPRESSURE: 1730800 486.24 4.00036 133.169 -177.319 228.058 85.8821 128.549 -81.8788 102.227 PRESSAVG: 1730800 8.67181 -15.6862 64.5569 -15.6862 -24.2598 -9.96698 64.5568 -9.967 -14.061 GPRESSAVG: 1730800 8.81675 -19.1243 63.8412 -13.5253 -23.7948 -8.21214 64.7117 -10.6825 -14.5155 TIMING: 1730800 CPU: 5541.55, 0.00318392/step Wall: 5541.55, 0.00318393/step, 2.89136 hours remaining, 233.242188 MB of memory in use. ENERGY: 1730800 3936.7944 20502.4285 14516.6075 254.1226 -204088.1193 2806.1021 0.0000 0.0000 52077.5183 -109994.5458 299.2902 -162072.0641 -109625.0366 297.9820 243.1654 272.1750 760248.2615 -9.8830 -9.8312 PRESSURE: 1731000 145.613 115.994 300.72 115.994 -6.30623 20.2737 300.721 20.2731 -86.7827 GPRESSURE: 1731000 234.493 120.601 165.128 62.1608 -27.771 -63.745 288.591 83.4794 -62.7747 PRESSAVG: 1731000 -9.17188 20.5241 23.3211 20.5241 12.9585 -25.7087 23.3212 -25.7087 4.01129 GPRESSAVG: 1731000 -7.92717 22.3904 25.3401 19.8872 11.6825 -26.4458 21.9623 -22.8771 3.93593 TIMING: 1731000 CPU: 5542.18, 0.00317984/step Wall: 5542.18, 0.00317984/step, 2.88747 hours remaining, 233.242188 MB of memory in use. ENERGY: 1731000 3973.0704 20426.8814 14462.5354 244.8051 -203639.2830 2632.1106 0.0000 0.0000 51802.3082 -110097.5719 297.7086 -161899.8801 -109742.3855 297.5429 17.5081 47.9823 760909.1169 2.5993 2.5638 PRESSURE: 1731200 -334.813 -226.121 -119.082 -226.12 51.8443 -93.5661 -119.082 -93.5665 -153.568 GPRESSURE: 1731200 -280.252 -186.745 -96.6226 -117.789 65.167 -185.099 -56.6239 -44.3264 -128.527 PRESSAVG: 1731200 -16.6831 -73.7332 13.8999 -73.7332 -19.1228 -10.2417 13.9 -10.2417 -6.98729 GPRESSAVG: 1731200 -17.9687 -73.1084 13.5268 -70.6341 -17.539 -11.5832 15.4946 -11.6288 -7.03736 TIMING: 1731200 CPU: 5542.82, 0.00317269/step Wall: 5542.82, 0.0031727/step, 2.88081 hours remaining, 233.242188 MB of memory in use. ENERGY: 1731200 4002.0515 20504.7782 14493.2319 248.1815 -203514.5526 2435.4936 0.0000 0.0000 51858.9605 -109971.8553 298.0342 -161830.8159 -109610.4686 297.8949 -145.5122 -114.5375 760374.5416 -14.2644 -14.1817 PRESSURE: 1731400 163.012 -50.9239 -16.3501 -50.9241 -30.6679 -73.5041 -16.3493 -73.5034 633.069 GPRESSURE: 1731400 188.846 -46.0462 -68.422 63.3125 5.68639 -17.4105 -165.99 -66.5296 659.02 PRESSAVG: 1731400 49.5581 55.8779 -1.25834 55.878 -18.3516 20.1287 -1.25837 20.1288 -8.6075 GPRESSAVG: 1731400 49.3659 55.8918 -2.34774 54.2079 -18.2662 21.9255 -1.05312 20.3915 -8.80221 TIMING: 1731400 CPU: 5543.45, 0.00316787/step Wall: 5543.45, 0.00316786/step, 2.87624 hours remaining, 233.242188 MB of memory in use. ENERGY: 1731400 4012.6138 20528.0867 14556.5377 238.2471 -203369.8223 2508.2359 0.0000 0.0000 51749.9070 -109776.1940 297.4074 -161526.1010 -109409.2250 297.8338 255.1376 284.5174 760493.2457 7.5330 7.4325 PRESSURE: 1731600 340.846 -68.514 14.4853 -68.5146 242.947 -61.8335 14.4859 -61.8334 186.417 GPRESSURE: 1731600 400.651 1.62262 63.2015 -118.424 269.89 -106.335 74.1554 -112.831 193.85 PRESSAVG: 1731600 30.4178 -18.8001 36.6914 -18.8001 -23.2775 17.4259 36.6914 17.426 17.578 GPRESSAVG: 1731600 31.1799 -21.0969 37.3368 -19.5647 -24.6348 17.3922 37.3854 15.6108 17.9778 TIMING: 1731600 CPU: 5544.09, 0.00318593/step Wall: 5544.09, 0.00318593/step, 2.89247 hours remaining, 233.242188 MB of memory in use. ENERGY: 1731600 4047.8880 20542.1401 14531.2241 236.5551 -204141.0109 2895.5697 0.0000 0.0000 52134.4777 -109753.1563 299.6176 -161887.6340 -109393.6287 298.5421 256.7370 288.1300 759475.8918 8.2394 8.1743 PRESSURE: 1731800 -65.6287 -85.3103 121.573 -85.3103 -124.523 -222.152 121.573 -222.151 -316.74 GPRESSURE: 1731800 10.6598 -78.6654 140.565 -61.8941 -204.593 -154.427 130.586 -244.276 -234.993 PRESSAVG: 1731800 8.93148 -6.0959 13.8502 -6.09599 -48.2921 -64.2594 13.8502 -64.2594 -4.14281 GPRESSAVG: 1731800 8.23239 -5.49234 13.4251 -6.55252 -48.3225 -65.3641 11.443 -62.6678 -3.58714 TIMING: 1731800 CPU: 5544.72, 0.00317694/step Wall: 5544.72, 0.00317693/step, 2.88413 hours remaining, 233.242188 MB of memory in use. ENERGY: 1731800 3928.9119 20475.9270 14478.9881 233.6226 -203679.1641 2620.5128 0.0000 0.0000 51949.8252 -109991.3764 298.5564 -161941.2016 -109623.2343 297.9220 -168.9640 -142.9756 762992.4143 -14.5011 -14.5591 PRESSURE: 1732000 -340.627 119.442 -130.427 119.442 -198.886 7.8968 -130.426 7.8972 188.337 GPRESSURE: 1732000 -288.235 255.561 -173.876 171.27 -124.223 71.3338 -169.777 105.655 148.824 PRESSAVG: 1732000 -24.1549 8.31595 33.3648 8.31598 -30.8634 -80.8714 33.3648 -80.8713 -46.9099 GPRESSAVG: 1732000 -23.0636 8.70526 33.1182 9.66413 -30.6905 -80.8299 34.2166 -78.4417 -48.4071 TIMING: 1732000 CPU: 5545.36, 0.00318947/step Wall: 5545.36, 0.00318948/step, 2.89534 hours remaining, 233.242188 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: 1732000 4034.2593 20331.7629 14472.4320 235.5556 -203843.4620 2659.8650 0.0000 0.0000 52242.8181 -109866.7691 300.2402 -162109.5871 -109508.5751 298.2282 -117.0589 -87.8778 760726.3278 -33.9761 -34.0537 PRESSURE: 1732200 -128.258 -151.527 85.3741 -151.526 16.9886 -30.7726 85.3742 -30.7733 83.4222 GPRESSURE: 1732200 -5.35823 -102.056 25.5636 -102.897 -3.43749 -4.69196 230.201 0.0522339 76.2456 PRESSAVG: 1732200 61.1117 -2.41742 45.0602 -2.41744 -65.1111 -58.7515 45.0602 -58.7515 -0.747935 GPRESSAVG: 1732200 60.0056 -2.47057 45.3371 -2.28208 -65.2166 -57.4848 46.0112 -59.6483 0.169866 TIMING: 1732200 CPU: 5545.99, 0.00317393/step Wall: 5545.99, 0.00317393/step, 2.88105 hours remaining, 233.242188 MB of memory in use. ENERGY: 1732200 3962.6574 20463.9741 14519.3919 241.3669 -203272.9432 2140.8969 0.0000 0.0000 51998.9762 -109945.6799 298.8388 -161944.6561 -109576.7574 298.0938 -9.2822 22.4833 759675.2747 -1.5824 -1.6804 LDB: ============= START OF LOAD BALANCING ============== 5558.42 LDB: ============== END OF LOAD BALANCING =============== 5558.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5558.42 LDB: ============= START OF LOAD BALANCING ============== 5558.74 LDB: Largest compute 7033 load 0.033499 is 17.1% of average load 0.195362 LDB: Average compute 0.004412 is 2.3% of average load 0.195362 LDB: TIME 5558.74 LOAD: AVG 0.195362 MAX 0.215442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.117 MB LDB: TIME 5558.74 LOAD: AVG 0.195362 MAX 0.215442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.188 MB LDB: TIME 5558.74 LOAD: AVG 0.195362 MAX 0.215442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.188 MB LDB: ============== END OF LOAD BALANCING =============== 5558.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5558.75 PRESSURE: 1732400 9.83863 -52.4281 72.6864 -52.4269 -184.593 9.11644 72.6867 9.11567 -72.3796 GPRESSURE: 1732400 -49.6633 -52.7832 88.593 -11.9001 -92.2011 -13.5578 20.7215 -98.0155 -45.0284 PRESSAVG: 1732400 19.1791 8.92181 37.9564 8.92189 8.09968 -51.1476 37.9563 -51.1477 14.2906 GPRESSAVG: 1732400 18.9931 10.0558 37.0436 8.77356 8.73572 -51.8319 36.8705 -52.3047 13.3294 TIMING: 1732400 CPU: 5546.64, 0.00323035/step Wall: 5546.64, 0.00323035/step, 2.93208 hours remaining, 232.593750 MB of memory in use. ENERGY: 1732400 4058.7427 20585.0644 14560.3330 250.1964 -203885.3823 2636.9018 0.0000 0.0000 51999.3230 -109794.8211 298.8408 -161794.1441 -109437.6809 298.8751 -82.3778 -62.2976 759753.8898 13.8565 13.6861 PRESSURE: 1732600 -47.6819 198.13 -116.809 198.131 -126.234 -137.908 -116.809 -137.907 295.353 GPRESSURE: 1732600 41.4318 33.8967 -66.263 189.569 -144.848 -119.248 -6.51466 -48.5623 328.14 PRESSAVG: 1732600 30.7441 64.942 81.7432 64.942 -66.3117 -30.3012 81.7433 -30.3011 28.104 GPRESSAVG: 1732600 30.2983 64.5395 83.0284 65.0885 -65.917 -29.6119 82.2719 -29.0642 28.2982 TIMING: 1732600 CPU: 5547.28, 0.00318762/step Wall: 5547.28, 0.00318762/step, 2.89312 hours remaining, 232.593750 MB of memory in use. ENERGY: 1732600 4005.2774 20540.9568 14475.8914 241.6438 -203280.5461 2491.9724 0.0000 0.0000 51858.3071 -109666.4974 298.0304 -161524.8045 -109311.6804 298.3458 40.4790 74.9079 759529.1232 -2.4879 -2.4402 PRESSURE: 1732800 -159.747 -18.2381 1.46668 -18.2375 -277.569 -24.2495 1.46739 -24.2497 -69.0524 GPRESSURE: 1732800 -137.471 30.8838 -23.8737 -61.3947 -274.966 -103.734 94.3738 32.4379 -14.5865 PRESSAVG: 1732800 -23.79 16.4439 42.2126 16.4439 7.41136 13.8365 42.2126 13.8363 10.2232 GPRESSAVG: 1732800 -22.8433 14.0328 40.7997 15.3119 6.98021 12.4729 44.8685 15.8159 10.2685 TIMING: 1732800 CPU: 5547.91, 0.00318476/step Wall: 5547.91, 0.00318476/step, 2.89035 hours remaining, 232.593750 MB of memory in use. ENERGY: 1732800 4050.1187 20587.5124 14478.2684 242.8096 -203352.4865 2475.7784 0.0000 0.0000 51985.1681 -109532.8309 298.7595 -161517.9990 -109167.8063 298.8227 -168.7895 -142.3412 760703.4493 -2.0518 -1.8649 PRESSURE: 1733000 158.944 56.9959 -193.565 56.9963 -438.858 340.772 -193.565 340.773 -227.793 GPRESSURE: 1733000 134.145 4.59253 -165.396 123.526 -329.768 340.044 -20.2885 320.385 -237.784 PRESSAVG: 1733000 77.0659 50.2758 -0.11939 50.2758 -6.60598 41.8737 -0.119349 41.8738 7.09602 GPRESSAVG: 1733000 77.5212 52.3072 0.741747 50.7439 -7.17652 43.1158 -2.19632 38.4909 7.61535 TIMING: 1733000 CPU: 5548.55, 0.00316322/step Wall: 5548.55, 0.00316322/step, 2.87062 hours remaining, 232.593750 MB of memory in use. ENERGY: 1733000 4083.9189 20422.8054 14553.0673 235.8169 -203224.7964 2498.2349 0.0000 0.0000 51809.4886 -109621.4644 297.7498 -161430.9530 -109257.4594 298.9812 -169.2356 -144.4690 761439.5600 25.8520 25.9867 PRESSURE: 1733200 541.688 84.0348 -132.797 84.0345 333.413 54.0468 -132.796 54.0464 126.39 GPRESSURE: 1733200 470.931 143.526 -133.618 102.27 430.944 -56.8167 -158.208 31.3759 195.337 PRESSAVG: 1733200 28.9318 -18.8638 15.9278 -18.8638 -25.1056 50.1051 15.9279 50.1051 -4.61366 GPRESSAVG: 1733200 28.5612 -18.5119 16.8265 -18.5334 -23.9849 48.9606 16.3085 49.8914 -5.67563 TIMING: 1733200 CPU: 5549.19, 0.00319984/step Wall: 5549.19, 0.00319984/step, 2.90368 hours remaining, 232.593750 MB of memory in use. ENERGY: 1733200 3954.6191 20566.0405 14571.6254 252.6022 -203506.5275 2697.3236 0.0000 0.0000 51752.8995 -109711.4171 297.4246 -161464.3167 -109359.8560 298.0625 333.8305 365.7372 762250.4014 -0.2625 -0.3664 PRESSURE: 1733400 45.6276 160.295 92.218 160.295 -195.842 -137.62 92.2173 -137.62 -12.4396 GPRESSURE: 1733400 33.7732 176.978 56.5138 90.0844 -76.3637 -105.678 60.2721 -93.1666 -25.0726 PRESSAVG: 1733400 62.6785 19.1247 5.93715 19.1247 -40.3567 -29.9991 5.93715 -29.9991 31.806 GPRESSAVG: 1733400 61.5028 20.5282 5.07053 19.1739 -39.8804 -29.3486 4.38186 -30.3421 32.9148 TIMING: 1733400 CPU: 5549.82, 0.00317173/step Wall: 5549.82, 0.00317173/step, 2.87799 hours remaining, 232.593750 MB of memory in use. ENERGY: 1733400 4051.2673 20426.2707 14566.5970 241.0386 -203220.5124 2488.5443 0.0000 0.0000 51833.7587 -109613.0359 297.8893 -161446.7946 -109250.0512 298.6395 -54.2182 -22.5544 760787.2965 18.0426 18.1791 PRESSURE: 1733600 223.855 -110.123 -75.9067 -110.123 -10.0789 409.172 -75.9074 409.171 22.2222 GPRESSURE: 1733600 197.887 -53.655 -46.5145 10.1677 3.28963 405.568 -19.1333 307.539 120.142 PRESSAVG: 1733600 -1.57254 -12.6671 11.5466 -12.6671 -40.2333 32.6815 11.5466 32.6814 -14.5028 GPRESSAVG: 1733600 -0.0963926 -15.3751 13.1274 -12.7918 -42.6911 32.7972 13.3708 32.0811 -14.5046 TIMING: 1733600 CPU: 5550.46, 0.00317058/step Wall: 5550.46, 0.00317058/step, 2.87677 hours remaining, 232.593750 MB of memory in use. ENERGY: 1733600 4034.1853 20485.6434 14602.7177 248.1617 -203844.8046 2929.2887 0.0000 0.0000 51841.1820 -109703.6257 297.9320 -161544.8078 -109356.9026 298.3121 78.6660 107.1063 760292.1022 -18.7695 -19.0974 PRESSURE: 1733800 -48.237 115.36 28.7729 115.36 -39.4286 -295.118 28.7733 -295.116 -124.296 GPRESSURE: 1733800 53.7316 94.8553 -4.26346 26.8896 -50.1988 -353.575 -97.8791 -253.658 -114.106 PRESSAVG: 1733800 80.4259 14.7978 -22.8883 14.7979 -56.513 18.023 -22.8884 18.023 8.93529 GPRESSAVG: 1733800 80.0301 17.3837 -23.4322 14.5476 -54.6496 18.9579 -23.6031 18.1817 7.90894 TIMING: 1733800 CPU: 5551.09, 0.00317376/step Wall: 5551.09, 0.00317376/step, 2.87948 hours remaining, 232.593750 MB of memory in use. ENERGY: 1733800 3941.7556 20407.5802 14546.4167 262.9781 -203450.1094 2662.4338 0.0000 0.0000 51700.7852 -109928.1597 297.1251 -161628.9449 -109562.7430 298.3242 -70.6538 -36.8579 762423.8926 10.9494 11.0965 PRESSURE: 1734000 -50.4214 14.7758 18.7387 14.7757 -28.6759 101.482 18.7387 101.481 174.687 GPRESSURE: 1734000 -38.1659 -46.9884 47.0436 -7.33806 27.2862 25.0385 -16.122 -26.6629 193.842 PRESSAVG: 1734000 1.80056 22.4106 7.65848 22.4106 -46.6864 2.02847 7.65849 2.02851 -14.1223 GPRESSAVG: 1734000 1.39067 19.5737 7.97493 22.3813 -47.0013 0.918228 7.81387 3.29518 -13.4008 TIMING: 1734000 CPU: 5551.73, 0.00318774/step Wall: 5551.73, 0.00318774/step, 2.89199 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1734000 3934.6868 20361.4326 14585.1243 268.2638 -203813.6295 2902.3619 0.0000 0.0000 51952.2101 -109809.5500 298.5701 -161761.7601 -109446.8139 297.9669 31.8632 60.9876 762076.5900 -19.6694 -19.6705 PRESSURE: 1734200 -198.873 129.732 119.577 129.732 -288.617 155.147 119.577 155.147 -36.7007 GPRESSURE: 1734200 -217.636 118.118 0.977201 21.603 -197.162 174.05 179.773 36.9168 -18.2198 PRESSAVG: 1734200 15.468 -35.2485 29.564 -35.2484 -26.7583 9.22743 29.564 9.22731 23.6837 GPRESSAVG: 1734200 15.5089 -34.9316 30.5756 -34.6547 -26.0562 8.12116 28.41 9.43442 23.4436 TIMING: 1734200 CPU: 5552.36, 0.00316159/step Wall: 5552.36, 0.00316159/step, 2.86809 hours remaining, 232.593750 MB of memory in use. ENERGY: 1734200 4002.6569 20320.6801 14573.4622 244.4894 -203928.0994 3035.9364 0.0000 0.0000 51720.2545 -110030.6199 297.2370 -161750.8744 -109671.7032 298.2217 -174.7302 -144.3392 761563.0521 4.1312 4.2988 PRESSURE: 1734400 -171.619 -93.0503 -4.50922 -93.0496 -18.4134 -86.841 -4.50947 -86.8407 -33.8008 GPRESSURE: 1734400 -72.5381 -36.485 -43.9985 -69.2808 -53.3143 -42.1268 16.253 -98.8911 -13.8973 PRESSAVG: 1734400 -23.1224 20.9613 -16.2251 20.9613 13.1207 1.35142 -16.2251 1.35147 13.6236 GPRESSAVG: 1734400 -22.8565 20.4482 -17.1686 20.2161 11.8612 3.09234 -12.7581 1.17492 14.5036 TIMING: 1734400 CPU: 5553, 0.00317579/step Wall: 5553, 0.00317579/step, 2.8808 hours remaining, 232.593750 MB of memory in use. ENERGY: 1734400 4005.5035 20447.4639 14600.7984 234.1825 -203917.1897 2867.1204 0.0000 0.0000 51785.4557 -109976.6653 297.6117 -161762.1210 -109615.5749 298.2933 -74.6112 -46.5832 759151.4157 1.2073 1.1694 PRESSURE: 1734600 -153.857 -70.8054 49.889 -70.8048 -273.709 200.303 49.889 200.304 -421.827 GPRESSURE: 1734600 -74.3036 -59.0066 172.644 -24.2766 -287.622 200.492 80.5825 168.915 -389.708 PRESSAVG: 1734600 30.2 -4.43867 -73.7386 -4.43865 -22.9311 53.9744 -73.7387 53.9744 33.2387 GPRESSAVG: 1734600 30.6445 -2.63452 -73.4347 -4.3172 -22.6442 52.5924 -73.1307 53.3617 33.2558 TIMING: 1734600 CPU: 5553.63, 0.00314742/step Wall: 5553.63, 0.00314742/step, 2.85489 hours remaining, 232.593750 MB of memory in use. ENERGY: 1734600 3955.8607 20481.3919 14533.4057 237.3148 -203481.5681 2545.6396 0.0000 0.0000 51532.2215 -110195.7339 296.1564 -161727.9554 -109836.3037 297.9438 -283.1311 -250.5447 759207.8443 13.5025 13.7520 PRESSURE: 1734800 151.784 294.615 198.19 294.615 30.378 65.6405 198.19 65.6411 -378.538 GPRESSURE: 1734800 223.946 302.746 178.01 241.342 -8.36593 39.4462 174.644 59.1514 -332.665 PRESSAVG: 1734800 -6.49831 21.1814 -12.586 21.1814 -15.8762 -13.7491 -12.5859 -13.749 9.14805 GPRESSAVG: 1734800 -7.70641 21.7561 -11.0381 21.6293 -14.8752 -12.1348 -16.4013 -16.3377 9.58588 TIMING: 1734800 CPU: 5554.26, 0.00319581/step Wall: 5554.26, 0.00319581/step, 2.8986 hours remaining, 232.593750 MB of memory in use. ENERGY: 1734800 4074.1608 20225.2367 14492.5639 234.1650 -203450.6211 2613.8248 0.0000 0.0000 51651.6114 -110159.0584 296.8425 -161810.6698 -109795.0837 297.1820 -65.4587 -39.0284 760001.3850 -4.4088 -4.3319 PRESSURE: 1735000 -184.318 -64.765 6.06728 -64.7648 76.8546 -18.2737 6.06762 -18.2742 92.4592 GPRESSURE: 1735000 -96.8671 -41.2504 -12.0758 -34.259 145.678 -36.2944 32.9358 -76.8409 42.6027 PRESSAVG: 1735000 14.8529 5.72842 -15.2659 5.7284 34.8654 -11.395 -15.2659 -11.395 19.7899 GPRESSAVG: 1735000 16.0931 4.29482 -16.6091 5.06544 34.1515 -11.7508 -12.9048 -10.8486 19.0437 TIMING: 1735000 CPU: 5554.9, 0.0031871/step Wall: 5554.9, 0.0031871/step, 2.89052 hours remaining, 232.593750 MB of memory in use. ENERGY: 1735000 4012.0891 20519.8168 14589.2367 247.5400 -203970.4466 2873.1969 0.0000 0.0000 51580.0244 -110148.5427 296.4311 -161728.5671 -109783.6914 297.5674 -5.0015 30.4713 761324.7934 23.1694 23.0961 PRESSURE: 1735200 -237.682 -33.1824 -137.736 -33.1832 -541.375 -138.882 -137.736 -138.882 -266.507 GPRESSURE: 1735200 -189.717 -24.3612 -52.7507 53.4334 -543.698 -111.315 -84.1213 -144.123 -238.773 PRESSAVG: 1735200 21.0319 -46.3301 -18.4181 -46.3302 -30.5087 -12.2581 -18.4181 -12.2581 -0.595716 GPRESSAVG: 1735200 20.5058 -46.7192 -19.2881 -43.8708 -29.3576 -11.209 -19.5731 -11.0912 -1.24885 TIMING: 1735200 CPU: 5555.54, 0.00317252/step Wall: 5555.54, 0.00317252/step, 2.87713 hours remaining, 232.593750 MB of memory in use. ENERGY: 1735200 4003.1518 20404.8869 14532.6231 236.4099 -203116.2017 1999.7328 0.0000 0.0000 51829.8809 -110109.5164 297.8670 -161939.3973 -109751.8253 297.7997 -348.5215 -324.0629 761266.0818 -3.3575 -3.3669 PRESSURE: 1735400 246.835 104.703 -19.9493 104.703 298.702 159.458 -19.9488 159.458 -81.2395 GPRESSURE: 1735400 197.219 83.2095 -70.0491 59.6181 345.126 124.176 -5.64572 65.7927 5.22534 PRESSAVG: 1735400 81.8271 -38.876 -0.553329 -38.876 -33.1683 -19.4024 -0.553363 -19.4024 -13.634 GPRESSAVG: 1735400 82.233 -36.4534 -0.346839 -41.0909 -34.1611 -20.1767 1.22796 -20.8491 -12.1008 TIMING: 1735400 CPU: 5556.17, 0.00315516/step Wall: 5556.17, 0.00315516/step, 2.86121 hours remaining, 232.593750 MB of memory in use. ENERGY: 1735400 3948.7111 20569.5593 14511.3070 238.8293 -203508.3705 2496.6097 0.0000 0.0000 51769.5126 -109973.8416 297.5201 -161743.3542 -109613.3174 298.0809 154.7657 182.5234 762150.9388 11.6749 11.9904 PRESSURE: 1735600 -534.473 -12.8178 -133.969 -12.8182 -247.004 248.386 -133.968 248.386 -517.289 GPRESSURE: 1735600 -547.21 50.4509 -148.798 -21.347 -166.347 196.447 -84.8584 211.078 -490.912 PRESSAVG: 1735600 12.3112 -26.6903 -42.4613 -26.6902 4.49944 -25.0094 -42.4613 -25.0093 -0.325633 GPRESSAVG: 1735600 11.829 -25.522 -41.9797 -27.4837 5.38189 -27.1045 -43.6832 -23.7322 -0.772196 TIMING: 1735600 CPU: 5556.81, 0.00319403/step Wall: 5556.81, 0.00319403/step, 2.89628 hours remaining, 232.593750 MB of memory in use. ENERGY: 1735600 3945.1033 20312.1825 14607.8335 236.8810 -203456.2876 2248.6266 0.0000 0.0000 52049.1412 -110056.5194 299.1271 -162105.6606 -109695.5921 298.0622 -432.9218 -401.4896 760896.2313 5.4950 5.4796 PRESSURE: 1735800 -86.9816 126.859 30.88 126.859 51.0244 -80.1593 30.8814 -80.1585 11.0594 GPRESSURE: 1735800 -40.1994 99.087 -5.58 160.599 83.1963 21.7845 17.0365 -284.553 26.3929 PRESSAVG: 1735800 -54.3039 -57.8618 -37.8444 -57.8619 43.8119 -58.6061 -37.8445 -58.606 2.15689 GPRESSAVG: 1735800 -55.436 -60.7321 -38.7725 -56.3665 44.8055 -57.1092 -38.3975 -59.1486 2.28269 TIMING: 1735800 CPU: 5557.44, 0.00318968/step Wall: 5557.44, 0.00318968/step, 2.89215 hours remaining, 232.593750 MB of memory in use. ENERGY: 1735800 3938.7097 20341.1519 14575.3730 242.4586 -203438.3361 2391.6786 0.0000 0.0000 51899.9971 -110048.9673 298.2700 -161948.9644 -109681.3516 298.0110 -8.2993 23.1300 760820.4437 -2.7784 -2.7826 PRESSURE: 1736000 -372.602 124.604 3.00375 124.604 -170.845 -67.3822 3.00334 -67.3814 -52.202 GPRESSURE: 1736000 -399.652 15.9652 -31.0251 75.0668 -76.2333 -46.4235 42.6614 75.286 -34.2698 PRESSAVG: 1736000 -43.9424 52.0937 -3.1127 52.0938 9.08155 -1.56589 -3.11265 -1.56588 15.0002 GPRESSAVG: 1736000 -42.712 51.5614 -2.79568 50.2269 8.25699 -2.60893 -1.92328 -0.601473 15.5466 TIMING: 1736000 CPU: 5558.09, 0.00322247/step Wall: 5558.09, 0.00322247/step, 2.92171 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1736000 3962.4630 20528.4964 14502.1225 244.1901 -203759.2494 2521.1644 0.0000 0.0000 51912.3994 -110088.4135 298.3413 -162000.8129 -109719.1222 297.7327 -198.5496 -170.0517 760940.0859 -6.6202 -6.3028 PRESSURE: 1736200 -276.36 113.373 -50.0174 113.374 14.0138 -15.076 -50.0174 -15.0762 299.421 GPRESSURE: 1736200 -153.48 5.19219 -1.48317 100.572 -16.9621 -81.3048 -163.018 -80.7057 288.74 PRESSAVG: 1736200 14.3916 55.9639 -47.5815 55.964 30.5049 -51.6126 -47.5815 -51.6127 -4.5865 GPRESSAVG: 1736200 14.202 57.0633 -47.1761 57.2801 30.684 -49.2163 -46.5035 -51.3465 -4.38365 TIMING: 1736200 CPU: 5558.72, 0.00317371/step Wall: 5558.72, 0.00317371/step, 2.87732 hours remaining, 232.593750 MB of memory in use. ENERGY: 1736200 3978.3896 20434.1826 14469.3505 247.5758 -203854.5797 2589.7259 0.0000 0.0000 51967.1258 -110168.2294 298.6558 -162135.3551 -109795.8604 297.7620 12.3583 39.4327 760296.9629 13.4367 13.5008 LDB: ============= START OF LOAD BALANCING ============== 5571.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5571.15 LDB: =============== DONE WITH MIGRATION ================ 5571.15 LDB: ============= START OF LOAD BALANCING ============== 5571.47 LDB: Largest compute 7033 load 0.033632 is 17.2% of average load 0.195396 LDB: Average compute 0.004422 is 2.3% of average load 0.195396 LDB: TIME 5571.47 LOAD: AVG 0.195396 MAX 0.217546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.59 MB LDB: TIME 5571.47 LOAD: AVG 0.195396 MAX 0.217546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 5571.47 LOAD: AVG 0.195396 MAX 0.217546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 5571.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5571.48 PRESSURE: 1736400 -171.965 -42.6449 -126.529 -42.6455 121.495 154.951 -126.528 154.952 166.097 GPRESSURE: 1736400 -149.424 20.0998 -125.278 -35.0016 161.883 129.108 -76.2653 76.6161 182.565 PRESSAVG: 1736400 3.40977 10.6633 23.0829 10.6633 38.6706 -5.32247 23.0829 -5.32246 9.68401 GPRESSAVG: 1736400 4.37607 12.3853 22.3667 10.9335 39.1255 -6.73352 23.7044 -7.41329 8.60189 TIMING: 1736400 CPU: 5559.37, 0.00323199/step Wall: 5559.37, 0.00323199/step, 2.92998 hours remaining, 232.914062 MB of memory in use. ENERGY: 1736400 3942.9202 20689.4761 14534.1610 262.4601 -203686.2859 2482.1263 0.0000 0.0000 51726.5711 -110048.5709 297.2733 -161775.1421 -109695.9693 298.0363 38.5426 65.0079 758579.3669 17.2548 17.3678 PRESSURE: 1736600 -65.8947 185.398 -263.872 185.397 -153.498 -104.192 -263.872 -104.191 304.539 GPRESSURE: 1736600 4.24592 188.183 -282.178 144.679 -72.5407 -29.5365 -253.656 -190.27 252.564 PRESSAVG: 1736600 1.49996 31.4159 -4.07803 31.4159 -13.6683 53.3772 -4.07803 53.3773 -7.98595 GPRESSAVG: 1736600 0.939196 31.3693 -3.47062 29.9664 -13.345 54.9266 -5.74813 53.5775 -7.81224 TIMING: 1736600 CPU: 5560, 0.00315865/step Wall: 5560, 0.00315865/step, 2.86332 hours remaining, 233.171875 MB of memory in use. ENERGY: 1736600 3955.3305 20545.9475 14504.0065 247.7233 -203476.8285 2549.7340 0.0000 0.0000 51736.5880 -109937.4987 297.3309 -161674.0867 -109572.8737 298.3960 28.3821 61.4231 759738.7839 -6.7181 -6.7393 PRESSURE: 1736800 201.212 -57.7604 434.305 -57.7598 -264.949 -265.432 434.306 -265.432 -12.7139 GPRESSURE: 1736800 182.158 -34.557 391.381 -50.5516 -204.111 -298.211 409.889 -237.827 45.1313 PRESSAVG: 1736800 3.93004 -16.2119 -26.9709 -16.2119 -15.942 -12.0853 -26.9708 -12.0853 -4.10095 GPRESSAVG: 1736800 4.10026 -18.1545 -25.1972 -14.7278 -17.1488 -12.4887 -26.9321 -12.6715 -3.00039 TIMING: 1736800 CPU: 5560.64, 0.00317962/step Wall: 5560.64, 0.00317962/step, 2.88215 hours remaining, 233.171875 MB of memory in use. ENERGY: 1736800 4000.7418 20540.1691 14521.5221 261.6852 -203357.0533 2269.6247 0.0000 0.0000 51981.6401 -109781.6703 298.7392 -161763.3104 -109413.5693 298.3420 -25.4838 7.7261 760833.1496 -5.3710 -5.3496 PRESSURE: 1737000 271.696 50.1843 142.351 50.1855 163.651 57.8151 142.351 57.8144 287.12 GPRESSURE: 1737000 266.079 -54.5208 66.9218 -3.76623 251.932 82.9018 50.9881 33.8263 282.282 PRESSAVG: 1737000 19.9836 -41.6186 17.4495 -41.6185 -40.5592 6.79064 17.4496 6.79065 3.79334 GPRESSAVG: 1737000 19.8195 -40.1982 15.4407 -41.5991 -39.7711 5.95823 16.7198 9.4654 3.26867 TIMING: 1737000 CPU: 5561.27, 0.0031599/step Wall: 5561.27, 0.0031599/step, 2.8641 hours remaining, 233.171875 MB of memory in use. ENERGY: 1737000 4015.0429 20443.9690 14636.4426 241.3446 -203882.4045 2838.3632 0.0000 0.0000 52026.1612 -109681.0810 298.9951 -161707.2423 -109309.6514 298.7799 240.8223 266.7642 761599.0196 -5.5941 -5.5610 PRESSURE: 1737200 173.304 -73.2724 37.9375 -73.2722 -213.573 -33.326 37.9376 -33.3259 59.4833 GPRESSURE: 1737200 173.689 -72.3994 10.2421 99.2431 -214.021 0.352231 46.3144 -83.8598 147.691 PRESSAVG: 1737200 43.1578 -9.71657 11.2967 -9.71655 -19.1668 7.58012 11.2967 7.58019 2.30132 GPRESSAVG: 1737200 43.7724 -12.1719 12.229 -8.93028 -19.1714 6.62034 10.9597 7.54555 1.43464 TIMING: 1737200 CPU: 5561.91, 0.00319084/step Wall: 5561.91, 0.00319084/step, 2.89197 hours remaining, 233.171875 MB of memory in use. ENERGY: 1737200 3986.9014 20659.0235 14557.6771 259.0966 -203511.7133 2517.8471 0.0000 0.0000 51999.2164 -109531.9512 298.8402 -161531.1676 -109174.5099 299.2031 6.4049 35.7865 760896.3077 8.7641 8.6785 PRESSURE: 1737400 -3.94412 -29.9487 -201.567 -29.949 -112.321 73.6122 -201.566 73.6123 159.585 GPRESSURE: 1737400 53.8501 -87.5223 -161.907 -68.9057 -99.1583 45.6307 -0.408557 11.889 175.005 PRESSAVG: 1737400 43.1074 1.73293 37.1252 1.73288 -56.9652 -7.54936 37.1252 -7.5493 0.480432 GPRESSAVG: 1737400 43.1296 3.40038 38.4887 0.17347 -57.7313 -5.98347 38.2215 -8.6548 1.46294 TIMING: 1737400 CPU: 5562.55, 0.00322036/step Wall: 5562.55, 0.00322036/step, 2.91854 hours remaining, 233.171875 MB of memory in use. ENERGY: 1737400 4031.3452 20552.4060 14544.0684 249.8194 -203718.9475 2594.0806 0.0000 0.0000 52086.1580 -109661.0699 299.3399 -161747.2279 -109293.9284 299.2919 14.4402 43.2324 762027.4498 -4.4591 -4.3796 PRESSURE: 1737600 18.1986 9.46133 -94.0604 9.46195 -182.188 -116.8 -94.0598 -116.8 240.542 GPRESSURE: 1737600 68.9293 -78.4347 -85.8325 35.5217 -110.16 -139.802 -22.5664 -130.698 192.107 PRESSAVG: 1737600 28.8211 11.6748 21.6854 11.6747 5.19379 -23.5306 21.6854 -23.5307 4.86188 GPRESSAVG: 1737600 28.1311 10.9377 20.8592 13.5296 6.82852 -23.4221 24.186 -22.6961 4.0524 TIMING: 1737600 CPU: 5563.2, 0.00321861/step Wall: 5563.2, 0.00321861/step, 2.91678 hours remaining, 233.171875 MB of memory in use. ENERGY: 1737600 4078.5964 20669.6477 14561.4346 243.2365 -203853.0555 2780.1540 0.0000 0.0000 52121.5206 -109398.4656 299.5431 -161519.9861 -109044.2092 299.3194 25.5175 50.2920 762492.6093 12.9589 13.0040 PRESSURE: 1737800 -193.754 127.292 87.2391 127.293 -59.9773 -151.278 87.2399 -151.278 -242.496 GPRESSURE: 1737800 -154.648 45.8067 155.226 116.333 -25.9877 -162.138 120.078 -77.6057 -223.294 PRESSAVG: 1737800 7.2684 27.7564 -20.1787 27.7565 -17.2748 -16.0812 -20.1787 -16.0813 -3.42989 GPRESSAVG: 1737800 6.26187 26.6437 -20.3167 27.1619 -17.8784 -17.3067 -22.3042 -16.9419 -1.77896 TIMING: 1737800 CPU: 5563.84, 0.00320711/step Wall: 5563.84, 0.00320711/step, 2.90618 hours remaining, 233.171875 MB of memory in use. ENERGY: 1737800 4052.2791 20616.4179 14596.7506 249.9724 -203699.5248 2649.2100 0.0000 0.0000 52338.0045 -109196.8902 300.7872 -161534.8948 -108837.0860 299.8153 -165.4088 -134.6434 762655.7532 -4.4788 -4.4652 PRESSURE: 1738000 -198.872 -90.2817 -19.382 -90.2817 -178.438 -284.418 -19.3832 -284.419 -42.3504 GPRESSURE: 1738000 -162.357 -185.065 -94.0756 -80.7915 -203.209 -208.017 -37.2051 -293.147 32.4765 PRESSAVG: 1738000 61.2024 -79.9252 30.2305 -79.9253 -69.2349 -9.43916 30.2305 -9.43917 -8.27052 GPRESSAVG: 1738000 61.4757 -78.2124 28.6964 -79.3642 -68.222 -7.36449 30.666 -9.40908 -9.36677 TIMING: 1738000 CPU: 5564.48, 0.00322744/step Wall: 5564.48, 0.00322744/step, 2.92442 hours remaining, 233.171875 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: 1738000 4067.7422 20644.1457 14581.1451 244.8208 -203687.1862 2749.2168 0.0000 0.0000 51849.8538 -109550.2618 297.9818 -161400.1156 -109193.8335 299.6868 -139.8868 -111.0299 761872.1613 -5.4343 -5.3710 PRESSURE: 1738200 31.1729 -82.6153 134.749 -82.615 -168.225 129.252 134.749 129.251 -50.6587 GPRESSURE: 1738200 88.7985 -13.8362 142.236 -85.8335 -170.316 102.582 126.717 107.641 -6.01633 PRESSAVG: 1738200 -12.3634 5.46232 -11.1855 5.4622 7.68727 -3.16315 -11.1856 -3.16308 1.08393 GPRESSAVG: 1738200 -11.4311 4.29098 -10.4469 4.93369 5.5845 -4.28559 -9.45816 -2.364 2.01451 TIMING: 1738200 CPU: 5565.12, 0.00318207/step Wall: 5565.12, 0.00318207/step, 2.88313 hours remaining, 233.171875 MB of memory in use. ENERGY: 1738200 3980.1519 20503.2039 14561.8143 240.2682 -203733.0391 2795.5376 0.0000 0.0000 51855.2518 -109796.8113 298.0128 -161652.0632 -109428.0339 299.3280 -62.5703 -29.1780 762316.1033 -1.1974 -1.2774 PRESSURE: 1738400 -167.067 -87.8906 4.94713 -87.8908 150.457 -122.872 4.94772 -122.871 -52.9014 GPRESSURE: 1738400 -182.104 -106.919 -12.2636 -86.1306 159.019 -134.698 86.5206 -45.8315 39.3899 PRESSAVG: 1738400 19.0435 -19.2693 -17.6213 -19.2693 -13.209 -21.6124 -17.6213 -21.6123 2.94885 GPRESSAVG: 1738400 19.4341 -16.6896 -16.4255 -18.9277 -12.2041 -22.0337 -18.4244 -21.4553 1.71511 TIMING: 1738400 CPU: 5565.75, 0.00315686/step Wall: 5565.75, 0.00315686/step, 2.86012 hours remaining, 233.183594 MB of memory in use. ENERGY: 1738400 4043.4619 20604.2148 14538.6167 235.1724 -203744.4409 2685.0039 0.0000 0.0000 51703.8991 -109934.0723 297.1430 -161637.9713 -109575.7914 298.0586 -23.1706 5.4351 762626.7278 2.9278 2.9817 PRESSURE: 1738600 42.2841 161.071 -117.703 161.072 47.1201 -101.162 -117.704 -101.162 43.9038 GPRESSURE: 1738600 59.0913 181.703 -202.577 59.6313 82.4992 -89.4334 49.7779 -193.972 98.5856 PRESSAVG: 1738600 1.80964 -32.9635 -48.2941 -32.9636 -13.0523 -70.8726 -48.2941 -70.8726 2.22667 GPRESSAVG: 1738600 0.647545 -33.9016 -49.631 -33.712 -12.5488 -73.2708 -48.7097 -71.3085 2.94033 TIMING: 1738600 CPU: 5566.39, 0.003191/step Wall: 5566.39, 0.003191/step, 2.89087 hours remaining, 233.183594 MB of memory in use. ENERGY: 1738600 3964.7550 20396.0173 14528.2470 234.0148 -203208.9528 2516.2154 0.0000 0.0000 51718.3954 -109851.3079 297.2263 -161569.7032 -109491.8786 298.3388 44.4360 80.0587 760527.3476 -3.0053 -2.9870 PRESSURE: 1738800 240.715 -61.704 160.658 -61.7043 85.8906 249.725 160.658 249.724 144.082 GPRESSURE: 1738800 362.028 -84.6883 68.8961 40.1784 55.2038 239.334 283.928 241.453 145.902 PRESSAVG: 1738800 -35.6921 -11.312 60.4905 -11.312 -5.24937 -14.7358 60.4906 -14.7358 23.0814 GPRESSAVG: 1738800 -34.6785 -11.3534 61.2599 -12.2498 -5.20105 -12.8041 59.2558 -16.3734 22.4377 TIMING: 1738800 CPU: 5567.02, 0.00317702/step Wall: 5567.02, 0.00317702/step, 2.87803 hours remaining, 233.183594 MB of memory in use. ENERGY: 1738800 3911.6671 20502.9937 14596.8811 271.1137 -204105.8014 3183.2671 0.0000 0.0000 51768.4776 -109871.4011 297.5142 -161639.8786 -109513.5615 298.1764 156.8960 187.7113 760860.8377 -5.9534 -5.8139 PRESSURE: 1739000 -252.791 40.3567 5.60462 40.3562 43.9498 -144.113 5.60494 -144.113 242.628 GPRESSURE: 1739000 -154.224 -102.683 75.3978 -59.5631 65.8913 -129.586 -31.6378 -142.568 211.768 PRESSAVG: 1739000 -36.7403 27.5931 15.9607 27.5931 59.3117 -19.2707 15.9608 -19.2706 -14.3545 GPRESSAVG: 1739000 -35.5388 24.9097 16.3636 29.2119 57.9388 -18.5862 13.6637 -18.0097 -14.245 TIMING: 1739000 CPU: 5567.66, 0.00317179/step Wall: 5567.66, 0.00317179/step, 2.87311 hours remaining, 233.183594 MB of memory in use. ENERGY: 1739000 3948.2992 20489.9794 14556.2638 258.8478 -203514.2108 2525.1594 0.0000 0.0000 51834.8414 -109900.8199 297.8955 -161735.6612 -109551.7362 298.2022 11.2620 41.1450 763296.3879 2.7390 2.7183 PRESSURE: 1739200 -142.314 -47.0502 40.679 -47.0505 -124.111 -27.8759 40.6806 -27.876 -383.552 GPRESSURE: 1739200 -182.835 -72.9876 79.0464 28.6239 16.6784 28.5734 4.56143 -23.7571 -387.19 PRESSAVG: 1739200 -0.630589 17.6144 -63.3049 17.6143 13.843 20.5936 -63.3049 20.5936 -26.5279 GPRESSAVG: 1739200 -3.24698 17.8238 -62.5159 18.2192 16.0622 18.8324 -60.0855 20.7109 -26.2574 TIMING: 1739200 CPU: 5568.29, 0.00317153/step Wall: 5568.29, 0.00317153/step, 2.8727 hours remaining, 233.183594 MB of memory in use. ENERGY: 1739200 3857.4853 20323.4315 14598.3867 241.7120 -203424.8216 2883.0259 0.0000 0.0000 51925.8441 -109594.9360 298.4185 -161520.7802 -109235.9333 297.9036 -216.6589 -184.4489 762991.8714 -4.4385 -4.4807 PRESSURE: 1739400 -71.8364 -14.3829 84.7008 -14.3833 122.502 63.5202 84.7017 63.5192 74.3796 GPRESSURE: 1739400 86.1569 8.72531 80.6372 -62.378 8.31802 127.236 -96.8503 -101.325 120.665 PRESSAVG: 1739400 -31.5991 -55.5982 -21.0597 -55.5983 -1.23633 26.7131 -21.0597 26.7131 7.73769 GPRESSAVG: 1739400 -30.1801 -53.6006 -22.3649 -56.2012 -2.65579 28.2265 -23.5276 29.5299 7.32696 TIMING: 1739400 CPU: 5568.93, 0.00317649/step Wall: 5568.93, 0.00317649/step, 2.87702 hours remaining, 233.183594 MB of memory in use. ENERGY: 1739400 3975.1933 20340.8581 14511.6215 243.8084 -203348.7366 2842.7341 0.0000 0.0000 51689.0224 -109745.4987 297.0575 -161434.5211 -109390.6309 297.8297 41.6819 71.7132 763631.8852 -8.3659 -8.5030 PRESSURE: 1739600 -81.6678 -27.9487 11.9389 -27.949 -297.756 -14.1991 11.9394 -14.1988 -362.459 GPRESSURE: 1739600 -125.427 89.0143 -13.4173 -14.5254 -207.563 -57.3569 -92.1901 -69.7172 -323.988 PRESSAVG: 1739600 -2.1747 -27.6909 14.1442 -27.6908 -26.9989 23.7184 14.1442 23.7184 2.99787 GPRESSAVG: 1739600 -2.89372 -27.6076 12.8764 -27.7975 -26.6345 25.0112 16.5179 20.1468 3.2046 TIMING: 1739600 CPU: 5569.56, 0.0031666/step Wall: 5569.56, 0.0031666/step, 2.86788 hours remaining, 233.183594 MB of memory in use. ENERGY: 1739600 3975.1222 20516.0889 14516.0033 257.2634 -203161.9322 2574.3701 0.0000 0.0000 51655.7395 -109667.3448 296.8662 -161323.0843 -109322.8414 297.9497 -247.2943 -218.9924 763356.2343 -8.7252 -8.7746 PRESSURE: 1739800 -316.373 -144.248 -142.439 -144.249 -346.937 -1.69448 -142.439 -1.69514 9.99665 GPRESSURE: 1739800 -235.33 -108.104 -129.864 -122.134 -326.779 28.628 -205.64 51.3192 7.37126 PRESSAVG: 1739800 -14.6032 -28.2148 -18.3827 -28.2147 59.0304 -45.6193 -18.3827 -45.6193 -11.9252 GPRESSAVG: 1739800 -14.2026 -26.4649 -17.09 -29.2077 58.9433 -46.5074 -20.4146 -43.8348 -11.5421 TIMING: 1739800 CPU: 5570.19, 0.00316828/step Wall: 5570.19, 0.00316828/step, 2.86923 hours remaining, 233.183594 MB of memory in use. ENERGY: 1739800 4011.2733 20400.2077 14517.0796 248.5584 -203439.0978 2584.6244 0.0000 0.0000 51886.1216 -109791.2327 298.1903 -161677.3543 -109440.0611 298.3296 -217.7709 -184.9126 762008.4408 10.8340 11.0662 PRESSURE: 1740000 -151.95 205.802 -37.4367 205.802 -212.282 1.02787 -37.4361 1.02781 104.015 GPRESSURE: 1740000 36.6916 169.543 -51.2422 241.963 -165.8 -18.8603 41.2532 44.5788 -24.9311 PRESSAVG: 1740000 4.01365 8.24167 -33.7256 8.2417 1.36597 2.16486 -33.7257 2.1648 32.5445 GPRESSAVG: 1740000 5.49688 6.61234 -36.1218 9.06458 1.24017 2.82546 -30.7863 0.82404 31.1588 TIMING: 1740000 CPU: 5570.83, 0.00317445/step Wall: 5570.83, 0.00317445/step, 2.87464 hours remaining, 233.183594 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: 1740000 3951.9489 20377.6923 14481.3865 234.3060 -202927.3452 2270.8821 0.0000 0.0000 51743.6072 -109867.5222 297.3712 -161611.1294 -109503.2236 297.9150 -86.7391 -51.3465 762213.1568 12.6414 12.6320 PRESSURE: 1740200 144.766 178.586 -101.766 178.587 -600.319 -160.377 -101.767 -160.377 -227.435 GPRESSURE: 1740200 143.622 151.406 -44.9098 195.304 -484.31 -137.764 -107.047 -101.227 -250.977 PRESSAVG: 1740200 23.961 -8.4565 -37.2106 -8.45647 -53.12 10.4447 -37.2107 10.4448 -15.3738 GPRESSAVG: 1740200 21.8815 -7.36149 -35.7423 -10.9895 -52.7852 9.39814 -38.9638 11.7857 -13.8713 TIMING: 1740200 CPU: 5571.46, 0.00316/step Wall: 5571.46, 0.00315999/step, 2.86138 hours remaining, 233.183594 MB of memory in use. ENERGY: 1740200 3892.9272 20477.2314 14502.0177 239.0803 -203215.6363 2494.4905 0.0000 0.0000 51682.7101 -109927.1790 297.0212 -161609.8892 -109567.0104 297.9480 -227.6627 -197.2218 761256.6927 -14.8443 -14.9250 LDB: ============= START OF LOAD BALANCING ============== 5583.88 LDB: ============== END OF LOAD BALANCING =============== 5583.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5583.89 LDB: ============= START OF LOAD BALANCING ============== 5584.2 LDB: Largest compute 7065 load 0.034628 is 17.7% of average load 0.195359 LDB: Average compute 0.004421 is 2.3% of average load 0.195359 LDB: TIME 5584.21 LOAD: AVG 0.195359 MAX 0.21672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.5 MB LDB: TIME 5584.21 LOAD: AVG 0.195359 MAX 0.21672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: TIME 5584.21 LOAD: AVG 0.195359 MAX 0.21672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.5 MB LDB: ============== END OF LOAD BALANCING =============== 5584.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5584.21 PRESSURE: 1740400 89.2725 131.259 84.8556 131.258 -368.794 59.9791 84.8556 59.9783 -458.077 GPRESSURE: 1740400 23.1798 92.9158 33.8948 62.0851 -248.71 22.9711 -14.8986 93.0356 -387.943 PRESSAVG: 1740400 20.116 28.3258 -30.2761 28.3258 -12.276 -8.74921 -30.276 -8.74921 -1.03527 GPRESSAVG: 1740400 21.5645 26.2249 -28.7823 30.6004 -13.3355 -8.75675 -30.445 -9.51738 -1.26971 TIMING: 1740400 CPU: 5572.11, 0.0032312/step Wall: 5572.11, 0.0032312/step, 2.92567 hours remaining, 232.464844 MB of memory in use. ENERGY: 1740400 3930.6062 20391.5519 14545.8713 234.5341 -203336.6589 2479.7608 0.0000 0.0000 51959.3754 -109794.9590 298.6112 -161754.3344 -109435.4516 298.1252 -245.8662 -204.4911 761587.4026 2.2682 2.3198 PRESSURE: 1740600 144.01 -81.4557 206.124 -81.4564 260.075 -177.195 206.125 -177.195 506.229 GPRESSURE: 1740600 138.12 1.03299 250.752 -111.156 266.323 -96.7989 222.579 -119.482 587.055 PRESSAVG: 1740600 -29.8906 -18.4613 20.0345 -18.4613 -1.90636 -0.21695 20.0344 -0.216897 10.7793 GPRESSAVG: 1740600 -31.6197 -17.3751 17.8004 -20.0609 -0.0933398 -0.354313 18.5183 -1.43134 10.6305 TIMING: 1740600 CPU: 5572.74, 0.00315823/step Wall: 5572.74, 0.00315823/step, 2.85942 hours remaining, 232.593750 MB of memory in use. ENERGY: 1740600 3946.6154 20648.1287 14548.3468 270.2114 -204002.9587 2997.7431 0.0000 0.0000 51944.5055 -109647.4077 298.5258 -161591.9133 -109292.1448 298.3576 303.4382 330.4995 761158.0313 -7.0059 -7.0275 PRESSURE: 1740800 -236.306 -15.1093 -8.87495 -15.1095 362.227 96.3011 -8.87532 96.3009 226.322 GPRESSURE: 1740800 -223.351 -73.348 103.031 55.3528 395.921 137.929 -18.4427 39.8595 241.791 PRESSAVG: 1740800 -47.2901 -4.75847 15.4782 -4.7584 107.932 -30.4883 15.4782 -30.4883 2.9213 GPRESSAVG: 1740800 -46.7111 -4.91286 16.3115 -1.55535 106.471 -30.1506 16.9368 -29.3309 3.37195 TIMING: 1740800 CPU: 5573.37, 0.00317541/step Wall: 5573.37, 0.00317541/step, 2.87481 hours remaining, 232.593750 MB of memory in use. ENERGY: 1740800 4034.6911 20365.8077 14549.6853 245.2351 -203780.4707 2685.2914 0.0000 0.0000 52241.1073 -109658.6527 300.2304 -161899.7600 -109298.2842 298.6423 117.4142 138.1202 761036.7430 21.1877 21.0440 PRESSURE: 1741000 -380.65 -77.269 92.6934 -77.2687 -99.6007 -42.7092 92.6945 -42.709 41.7246 GPRESSURE: 1741000 -359.187 -134.625 -2.53622 -76.3595 -64.9706 -15.0269 -35.0438 -102.562 79.7365 PRESSAVG: 1741000 -1.58264 1.73844 -7.75017 1.73843 39.0789 31.0885 -7.75019 31.0884 -10.2098 GPRESSAVG: 1741000 -1.71279 3.34613 -6.59102 -0.168064 38.3276 30.8942 -8.31755 28.523 -9.14321 TIMING: 1741000 CPU: 5574.01, 0.00317253/step Wall: 5574.01, 0.00317253/step, 2.87202 hours remaining, 232.664062 MB of memory in use. ENERGY: 1741000 3999.0345 20502.6926 14546.4913 240.5929 -203648.9827 2797.5594 0.0000 0.0000 51964.7795 -109597.8325 298.6423 -161562.6120 -109235.6602 298.6239 -146.1755 -114.8069 761432.8984 9.0955 9.1572 PRESSURE: 1741200 56.7004 147.193 123.254 147.193 75.7502 272.606 123.253 272.606 0.994271 GPRESSURE: 1741200 25.6489 158.838 187.349 102.685 173.923 241.862 84.5235 111.466 13.6334 PRESSAVG: 1741200 1.26809 30.9285 18.7357 30.9285 -2.94317 5.15862 18.7356 5.15871 21.9276 GPRESSAVG: 1741200 1.50143 31.6176 18.6751 29.0571 -0.884409 4.8445 16.9373 7.07784 19.761 TIMING: 1741200 CPU: 5574.64, 0.00314051/step Wall: 5574.64, 0.00314051/step, 2.84286 hours remaining, 232.675781 MB of memory in use. ENERGY: 1741200 3964.2329 20557.5523 14557.2067 262.2912 -203893.9398 2919.0054 0.0000 0.0000 52039.4092 -109594.2422 299.0712 -161633.6513 -109232.3462 298.4310 44.4816 71.0683 760632.9795 6.7508 6.7927 PRESSURE: 1741400 -66.468 105.833 -106.887 105.833 -181.76 49.8265 -106.887 49.8268 110.562 GPRESSURE: 1741400 38.4787 44.7419 -119.55 39.9175 -213.597 39.3603 -63.7396 49.874 114.644 PRESSAVG: 1741400 31.74 -28.3953 -3.65934 -28.3952 -2.08953 18.1168 -3.65933 18.1168 6.13412 GPRESSAVG: 1741400 30.8094 -30.1817 -4.50893 -26.9588 -2.23753 19.3813 -2.02257 18.9243 7.50816 TIMING: 1741400 CPU: 5575.27, 0.00316062/step Wall: 5575.27, 0.00316062/step, 2.86089 hours remaining, 232.675781 MB of memory in use. ENERGY: 1741400 3964.2331 20609.2640 14635.3112 250.1802 -203399.9862 2561.3815 0.0000 0.0000 51713.3762 -109666.2399 297.1975 -161379.6162 -109304.3509 298.8732 -45.8888 -20.1580 762859.3059 11.9282 12.0267 PRESSURE: 1741600 -68.9797 43.085 75.193 43.0856 24.9679 273.702 75.1924 273.703 -214.668 GPRESSURE: 1741600 30.2004 30.9192 54.2631 82.706 68.5831 267.011 58.2757 296.031 -260.498 PRESSAVG: 1741600 -35.0692 23.0744 9.00056 23.0744 -6.58422 -27.3445 9.00055 -27.3444 17.8621 GPRESSAVG: 1741600 -32.7883 24.5777 8.54964 22.6183 -7.85788 -27.5906 8.60684 -27.5289 17.1062 TIMING: 1741600 CPU: 5575.9, 0.00317589/step Wall: 5575.9, 0.00317589/step, 2.87453 hours remaining, 232.675781 MB of memory in use. ENERGY: 1741600 4027.0328 20435.5130 14550.5137 264.7117 -203515.4659 2723.0962 0.0000 0.0000 51936.5722 -109578.0262 298.4802 -161514.5985 -109224.1742 298.6905 -86.2268 -53.9050 763424.3081 -7.9304 -7.8466 PRESSURE: 1741800 -174.198 38.2542 93.8797 38.2544 -181.13 -50.0481 93.8809 -50.0479 389.608 GPRESSURE: 1741800 -187.109 -61.9451 152.652 34.1328 -71.1325 -75.9365 301.588 -81.0647 405.329 PRESSAVG: 1741800 -66.3167 0.875728 16.8542 0.875713 41.7743 30.4113 16.8542 30.4113 -6.86743 GPRESSAVG: 1741800 -67.4953 0.388254 17.8269 2.88488 42.9778 29.5031 16.5925 30.3767 -6.55132 TIMING: 1741800 CPU: 5576.54, 0.00315899/step Wall: 5576.54, 0.00315899/step, 2.85906 hours remaining, 232.675781 MB of memory in use. ENERGY: 1741800 3979.7364 20511.1448 14547.9564 244.9369 -203858.3013 2887.6957 0.0000 0.0000 52010.9637 -109675.8675 298.9077 -161686.8311 -109310.4459 299.0149 11.4265 49.0289 761634.0404 -10.4700 -10.3563 PRESSURE: 1742000 -119.926 49.484 -231.531 49.4838 -49.6119 -169.348 -231.531 -169.348 -23.557 GPRESSURE: 1742000 -72.063 7.56813 -143.921 147.058 -31.7835 -195.262 -181.874 -121.523 -2.74946 PRESSAVG: 1742000 -53.3382 0.366192 20.1357 0.366195 27.7619 39.8115 20.1357 39.8115 8.138 GPRESSAVG: 1742000 -53.2962 -1.47106 18.677 -1.15267 26.9991 40.8192 23.0331 39.7031 8.64162 TIMING: 1742000 CPU: 5577.17, 0.00317115/step Wall: 5577.17, 0.00317115/step, 2.86989 hours remaining, 232.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1742000 4040.4660 20603.6449 14465.8341 252.2540 -203672.6449 2759.3432 0.0000 0.0000 51880.7880 -109670.3147 298.1596 -161551.1027 -109314.2305 299.0204 -64.3649 -35.5320 761485.1850 -5.8128 -5.8852 PRESSURE: 1742200 -50.5224 200.14 134.779 200.139 -124.366 -66.3107 134.779 -66.3104 -115.814 GPRESSURE: 1742200 27.6065 186.943 121.763 213.754 -112.593 49.9838 7.48412 -215.484 -123.373 PRESSAVG: 1742200 -5.47974 11.7572 -21.2858 11.7571 17.1317 6.7501 -21.2858 6.75004 16.6959 GPRESSAVG: 1742200 -5.84605 12.0017 -20.8316 11.7955 17.8074 6.15966 -22.9956 7.63336 16.3914 TIMING: 1742200 CPU: 5577.8, 0.00314908/step Wall: 5577.8, 0.00314908/step, 2.84974 hours remaining, 232.675781 MB of memory in use. ENERGY: 1742200 4086.1674 20562.5223 14466.5908 254.6143 -203680.1043 2735.4361 0.0000 0.0000 51878.7504 -109696.0231 298.1479 -161574.7735 -109331.9119 299.2067 -96.9006 -69.4532 760166.8951 9.4493 9.4509 PRESSURE: 1742400 -383.841 11.3105 45.8598 11.3108 -250.567 109.099 45.8605 109.099 -252.86 GPRESSURE: 1742400 -349.768 -41.6719 74.3181 45.1758 -329.351 172.924 178.741 74.2883 -143.256 PRESSAVG: 1742400 12.3476 -30.5257 -2.31202 -30.5257 -13.5402 6.58169 -2.31203 6.58164 33.0253 GPRESSAVG: 1742400 13.2897 -28.7743 -0.206877 -31.2698 -14.2514 6.54389 -4.23727 5.13158 32.9043 TIMING: 1742400 CPU: 5578.44, 0.00318198/step Wall: 5578.44, 0.00318198/step, 2.87934 hours remaining, 232.675781 MB of memory in use. ENERGY: 1742400 4049.4263 20611.5250 14571.9192 246.5560 -203494.4153 2547.6397 0.0000 0.0000 51786.6494 -109680.6997 297.6186 -161467.3491 -109318.8265 298.5540 -295.7559 -274.1254 761731.8795 10.6109 10.6475 PRESSURE: 1742600 16.7774 30.0921 66.6948 30.092 -98.2771 -152.85 66.695 -152.851 480.032 GPRESSURE: 1742600 181.802 -110.048 -45.6551 62.8029 -159.908 -185.345 163.357 -50.4916 452.568 PRESSAVG: 1742600 -68.3561 20.6798 -13.2441 20.6798 28.6654 -30.1044 -13.244 -30.1044 10.4498 GPRESSAVG: 1742600 -68.0587 20.1455 -12.6026 22.1311 28.4943 -29.8664 -9.82921 -27.1474 10.33 TIMING: 1742600 CPU: 5579.07, 0.00315443/step Wall: 5579.07, 0.00315443/step, 2.85423 hours remaining, 232.675781 MB of memory in use. ENERGY: 1742600 3976.2927 20546.4745 14592.1719 244.0324 -203635.5815 2682.0247 0.0000 0.0000 51874.8035 -109719.7818 298.1252 -161594.5853 -109361.0542 299.2247 132.8440 158.1539 760494.4734 -9.7469 -9.7448 PRESSURE: 1742800 -148.975 -161.702 179.61 -161.702 -17.8771 59.5061 179.61 59.5065 73.3494 GPRESSURE: 1742800 -61.8341 -85.8737 207.982 -76.3256 -29.0137 14.7851 124.813 121.326 77.1838 PRESSAVG: 1742800 10.3782 -15.8336 -33.4031 -15.8335 12.9014 8.23404 -33.4031 8.23407 1.87904 GPRESSAVG: 1742800 9.28247 -15.2934 -36.1102 -17.4303 13.4315 7.82515 -37.6673 6.73054 2.53638 TIMING: 1742800 CPU: 5579.7, 0.00317078/step Wall: 5579.7, 0.00317078/step, 2.86885 hours remaining, 232.675781 MB of memory in use. ENERGY: 1742800 4058.0609 20419.0273 14562.9515 255.0674 -203525.7552 2556.0520 0.0000 0.0000 52154.9359 -109519.6602 299.7351 -161674.5961 -109167.9058 299.2914 -31.1675 -4.5546 761117.2383 8.3862 8.4168 PRESSURE: 1743000 -38.8608 40.07 -198.107 40.0693 39.8541 -162.807 -198.107 -162.806 124.149 GPRESSURE: 1743000 2.35685 -90.5083 -213.578 56.6838 92.0737 -175.392 -188.196 -115.246 106.762 PRESSAVG: 1743000 23.6643 -47.5845 -43.7342 -47.5845 16.8228 48.8701 -43.7342 48.8701 9.29905 GPRESSAVG: 1743000 23.7719 -48.9678 -43.5268 -46.1378 17.4544 49.2441 -42.9692 49.8524 8.63343 TIMING: 1743000 CPU: 5580.34, 0.00317495/step Wall: 5580.34, 0.00317495/step, 2.87244 hours remaining, 232.675781 MB of memory in use. ENERGY: 1743000 3998.5696 20606.6479 14524.4799 227.6526 -203688.4564 2683.5052 0.0000 0.0000 51944.8354 -109702.7659 298.5277 -161647.6013 -109348.7171 299.2950 41.7140 67.0640 759615.7528 16.5954 16.6199 PRESSURE: 1743200 -107.84 -45.0495 -158.85 -45.05 -439.775 85.2921 -158.849 85.2921 160.745 GPRESSURE: 1743200 -135.344 -118.622 -163.31 -80.009 -350.932 138.621 -141.065 20.5673 173.736 PRESSAVG: 1743200 12.5199 10.0996 5.97478 10.0996 -24.1287 11.6141 5.97479 11.6141 -27.3513 GPRESSAVG: 1743200 11.7685 10.1625 5.62874 9.93706 -24.5242 11.0177 8.61018 10.4294 -26.361 TIMING: 1743200 CPU: 5580.97, 0.00317421/step Wall: 5580.97, 0.00317421/step, 2.8716 hours remaining, 232.675781 MB of memory in use. ENERGY: 1743200 4107.2043 20600.3951 14468.5843 261.6177 -203717.1013 2747.5368 0.0000 0.0000 51752.5652 -109779.1978 297.4227 -161531.7630 -109418.5882 299.2792 -128.9568 -104.1798 761596.4739 -12.9867 -13.0389 PRESSURE: 1743400 0.132172 -18.0464 157.704 -18.046 130.106 -138.719 157.704 -138.719 230.093 GPRESSURE: 1743400 18.8469 53.2806 244.62 -46.5278 103.151 -118.031 -3.76703 -169.525 310.316 PRESSAVG: 1743400 40.8495 4.2158 -2.3887 4.21578 -43.8718 -38.8323 -2.38868 -38.8324 6.13578 GPRESSAVG: 1743400 41.5433 4.18049 -1.74327 4.47481 -43.9666 -36.3769 -1.26738 -37.4822 4.78078 TIMING: 1743400 CPU: 5581.6, 0.00316163/step Wall: 5581.6, 0.00316163/step, 2.86005 hours remaining, 232.675781 MB of memory in use. ENERGY: 1743400 3957.5103 20634.9211 14580.5114 255.3398 -203742.9925 2872.9149 0.0000 0.0000 51783.6532 -109658.1419 297.6014 -161441.7951 -109300.4513 298.4482 120.1105 144.1048 761641.0928 1.0379 0.7858 PRESSURE: 1743600 -216.961 -140.421 -29.8874 -140.422 -151.824 104.976 -29.8879 104.976 -88.8334 GPRESSURE: 1743600 -148.8 -165.727 -13.4017 -88.9307 -163.761 -49.3218 -79.0775 -96.366 -49.6512 PRESSAVG: 1743600 -19.3439 -36.7927 7.64054 -36.7927 31.1882 8.51067 7.64057 8.51057 3.50778 GPRESSAVG: 1743600 -18.8761 -36.0183 7.92939 -36.5845 29.2911 5.57796 5.8448 8.62853 5.14967 TIMING: 1743600 CPU: 5582.24, 0.00317738/step Wall: 5582.24, 0.00317738/step, 2.87412 hours remaining, 232.675781 MB of memory in use. ENERGY: 1743600 3944.3040 20470.1560 14532.8481 256.8964 -203114.2865 2405.9643 0.0000 0.0000 51920.0439 -109584.0739 298.3852 -161504.1178 -109225.1885 298.6286 -152.5395 -120.7375 762205.0984 5.1174 5.1882 PRESSURE: 1743800 -61.9631 60.8211 95.7189 60.8211 -135.966 -57.0308 95.718 -57.0317 -144.167 GPRESSURE: 1743800 -91.901 -44.2339 20.4298 -60.3819 -59.7594 -101.457 59.9593 -121.044 -114.116 PRESSAVG: 1743800 18.6989 -50.5313 -17.3966 -50.5313 -18.1984 14.7282 -17.3965 14.7282 4.34582 GPRESSAVG: 1743800 17.8843 -50.6361 -16.7771 -51.1891 -17.0367 14.2491 -19.4964 14.3916 3.53059 TIMING: 1743800 CPU: 5582.87, 0.00317403/step Wall: 5582.87, 0.00317403/step, 2.87091 hours remaining, 232.675781 MB of memory in use. ENERGY: 1743800 4057.9216 20420.5623 14537.7367 245.8795 -203057.7362 2520.2424 0.0000 0.0000 51967.8713 -109307.5223 298.6601 -161275.3936 -108948.3427 298.8140 -114.0318 -88.5921 764104.6289 1.6154 1.4594 PRESSURE: 1744000 184.127 98.4403 -263.84 98.4399 -95.7066 -141.48 -263.84 -141.481 -76.4951 GPRESSURE: 1744000 292.343 120.297 -323.072 106.509 -91.5998 -112.482 -205.979 -24.0645 -94.157 PRESSAVG: 1744000 13.9002 -24.0633 55.2674 -24.0633 -16.4466 -21.5904 55.2674 -21.5904 6.0627 GPRESSAVG: 1744000 14.1725 -25.0576 55.2123 -22.992 -16.9813 -19.5059 56.2448 -23.3413 5.90196 TIMING: 1744000 CPU: 5583.51, 0.00317202/step Wall: 5583.51, 0.00317202/step, 2.86892 hours remaining, 232.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1744000 3974.6578 20590.2311 14543.1435 243.2576 -202818.5704 2258.1105 0.0000 0.0000 51774.7864 -109434.3835 297.5504 -161209.1699 -109067.8725 298.6420 3.9752 35.5286 762593.5457 1.1721 1.0311 PRESSURE: 1744200 18.4684 -136.173 41.8339 -136.173 -43.3351 -264.699 41.8349 -264.7 57.038 GPRESSURE: 1744200 2.65778 -81.0796 -5.53228 -18.1265 38.7591 -230.384 4.23675 -122.249 81.1267 PRESSAVG: 1744200 -42.749 -1.06746 23.4874 -1.06744 70.8705 -20.0806 23.4874 -20.0807 27.7164 GPRESSAVG: 1744200 -43.3916 -0.388121 22.5379 -2.46202 70.1116 -19.8494 24.8544 -19.5008 29.1412 TIMING: 1744200 CPU: 5584.15, 0.00318792/step Wall: 5584.15, 0.00318792/step, 2.88312 hours remaining, 232.675781 MB of memory in use. ENERGY: 1744200 3941.2595 20381.3191 14528.9427 252.2635 -203703.6557 2756.9887 0.0000 0.0000 51950.3924 -109892.4897 298.5596 -161842.8821 -109540.3736 298.3563 10.7238 40.8478 761203.9560 18.6126 18.6204 LDB: ============= START OF LOAD BALANCING ============== 5596.57 LDB: ============== END OF LOAD BALANCING =============== 5596.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5596.57 LDB: ============= START OF LOAD BALANCING ============== 5596.89 LDB: Largest compute 7033 load 0.034747 is 17.8% of average load 0.195466 LDB: Average compute 0.004409 is 2.3% of average load 0.195466 LDB: TIME 5596.9 LOAD: AVG 0.195466 MAX 0.212408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.148 MB LDB: TIME 5596.9 LOAD: AVG 0.195466 MAX 0.212408 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.227 MB LDB: TIME 5596.9 LOAD: AVG 0.195466 MAX 0.212408 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.227 MB LDB: ============== END OF LOAD BALANCING =============== 5596.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5596.9 PRESSURE: 1744400 -137.597 -6.028 -74.8557 -6.02713 74.4469 157.096 -74.8552 157.096 -102.349 GPRESSURE: 1744400 -70.2894 -28.1752 -104.855 -50.0322 78.7798 96.4596 7.01442 -7.97361 -95.0907 PRESSAVG: 1744400 -4.74306 -17.5575 11.3983 -17.5576 18.8214 -16.9413 11.3983 -16.9413 22.9307 GPRESSAVG: 1744400 -4.579 -19.1894 13.508 -17.7395 19.5203 -17.2338 9.63776 -17.0222 22.2904 TIMING: 1744400 CPU: 5584.8, 0.0032567/step Wall: 5584.8, 0.0032567/step, 2.94514 hours remaining, 231.570312 MB of memory in use. ENERGY: 1744400 3915.2184 20468.1042 14549.5991 236.1596 -203714.5257 2653.0258 0.0000 0.0000 52164.7774 -109727.6413 299.7917 -161892.4187 -109366.1972 297.9288 -55.1662 -28.8667 761698.8868 12.3364 12.4106 PRESSURE: 1744600 144.162 -173.341 38.0399 -173.342 -225.764 341.419 38.0407 341.417 91.9269 GPRESSURE: 1744600 129.34 -132.554 23.4789 -229.027 -224.504 286.141 118.626 326.802 185.883 PRESSAVG: 1744600 12.3889 -2.39511 64.7401 -2.39518 37.2992 24.0088 64.7401 24.0088 -14.9789 GPRESSAVG: 1744600 11.8803 -0.206014 62.3169 -0.808862 37.0914 23.5053 66.1589 23.9049 -14.6542 TIMING: 1744600 CPU: 5585.43, 0.00317626/step Wall: 5585.43, 0.00317626/step, 2.87222 hours remaining, 231.640625 MB of memory in use. ENERGY: 1744600 3980.0506 20490.6828 14568.5613 238.7509 -203392.5921 2496.3227 0.0000 0.0000 51841.3861 -109776.8376 297.9332 -161618.2238 -109421.5494 298.3150 3.4417 30.2397 760906.8536 11.5697 11.4391 PRESSURE: 1744800 -149.667 59.0565 -22.4781 59.0567 -106.526 -13.516 -22.4793 -13.5167 -296.094 GPRESSURE: 1744800 -129.693 161.597 -38.4463 -40.8663 -43.8274 -37.3701 -104.09 141.852 -278.418 PRESSAVG: 1744800 -19.1686 -8.47929 -16.0544 -8.47925 -28.8887 -4.34082 -16.0545 -4.34087 7.8595 GPRESSAVG: 1744800 -18.2565 -9.69682 -14.9799 -10.3146 -29.0276 -4.47467 -17.1079 -2.65617 7.15208 TIMING: 1744800 CPU: 5586.06, 0.00315677/step Wall: 5586.06, 0.00315677/step, 2.85442 hours remaining, 231.640625 MB of memory in use. ENERGY: 1744800 4015.8805 20491.3287 14531.2749 251.4101 -203301.7062 2579.8997 0.0000 0.0000 51773.3553 -109658.5570 297.5422 -161431.9123 -109316.6044 298.2110 -184.0958 -150.6459 762351.0783 -13.3993 -13.3773 PRESSURE: 1745000 -287.671 -208.562 -139.496 -208.562 -154.737 -16.2993 -139.496 -16.3008 -405.789 GPRESSURE: 1745000 -218.933 -21.0944 -100.319 -156.839 -106.317 -23.5718 -53.1372 19.4215 -436.47 PRESSAVG: 1745000 29.3862 38.6865 -5.29008 38.6864 -8.83141 10.2036 -5.29006 10.2037 14.749 GPRESSAVG: 1745000 28.2238 41.8358 -5.77868 37.8436 -8.39511 12.917 -3.57611 9.53954 14.9491 TIMING: 1745000 CPU: 5586.7, 0.00316142/step Wall: 5586.7, 0.00316142/step, 2.85845 hours remaining, 231.640625 MB of memory in use. ENERGY: 1745000 3965.5850 20575.0147 14491.7259 233.2093 -203341.8451 2473.9359 0.0000 0.0000 52025.0509 -109577.3235 298.9887 -161602.3744 -109212.3138 298.1546 -282.7325 -253.9069 763241.8114 11.7679 11.5926 PRESSURE: 1745200 126.323 181.996 178.344 181.995 -22.2168 149.651 178.344 149.652 0.823228 GPRESSURE: 1745200 117.096 107.374 195.858 114.923 -17.5459 206.168 71.9491 190.632 100.267 PRESSAVG: 1745200 -47.6056 -19.4503 -15.9594 -19.4503 45.6584 -16.4467 -15.9594 -16.4467 1.58229 GPRESSAVG: 1745200 -47.4042 -21.9398 -14.9285 -17.8513 44.9185 -19.1409 -18.3643 -15.771 1.71622 TIMING: 1745200 CPU: 5587.33, 0.00316772/step Wall: 5587.33, 0.00316772/step, 2.86397 hours remaining, 231.640625 MB of memory in use. ENERGY: 1745200 4030.6264 20435.8021 14584.2190 263.4128 -203519.3551 2587.9222 0.0000 0.0000 51900.8419 -109716.5307 298.2749 -161617.3726 -109356.4818 298.1574 34.9766 66.6058 762282.9182 -0.1217 -0.2565 PRESSURE: 1745400 86.4946 -119.458 -34.9685 -119.459 -189.487 -80.8832 -34.9682 -80.8822 8.10218 GPRESSURE: 1745400 114.362 -51.8033 19.1343 -186.534 -192.646 -103.469 11.9509 9.91745 79.3907 PRESSAVG: 1745400 11.7612 39.7371 -39.7241 39.7371 -19.974 -28.0169 -39.7241 -28.017 2.76739 GPRESSAVG: 1745400 11.9015 38.6043 -38.772 37.9352 -19.9802 -27.7547 -38.5021 -30.4179 3.18896 TIMING: 1745400 CPU: 5587.97, 0.00320324/step Wall: 5587.97, 0.00320324/step, 2.8959 hours remaining, 231.640625 MB of memory in use. ENERGY: 1745400 3942.0374 20515.8068 14512.7711 235.3280 -203524.8701 2707.8757 0.0000 0.0000 52038.7335 -109572.3176 299.0673 -161611.0511 -109207.1336 298.5258 -31.6302 0.3688 763151.2032 -1.8151 -1.6299 PRESSURE: 1745600 -224.483 22.5779 -118.978 22.5775 156.629 22.9997 -118.978 22.9995 -185.283 GPRESSURE: 1745600 -141.549 -103.457 -98.3957 54.6475 117.664 28.5546 7.6811 184.034 -174.757 PRESSAVG: 1745600 -34.617 -36.4805 3.69119 -36.4805 36.731 -29.5555 3.69121 -29.5555 6.35362 GPRESSAVG: 1745600 -35.7972 -34.2134 2.45674 -36.6065 37.4949 -29.5062 3.9196 -29.8113 6.59999 TIMING: 1745600 CPU: 5588.6, 0.00317033/step Wall: 5588.6, 0.00317033/step, 2.86598 hours remaining, 231.640625 MB of memory in use. ENERGY: 1745600 4015.5851 20604.6792 14516.3062 239.2142 -203417.4411 2646.3407 0.0000 0.0000 51933.5001 -109461.8156 298.4625 -161395.3156 -109089.2955 298.9413 -84.3788 -66.2142 763143.6239 2.8225 2.7659 PRESSURE: 1745800 -5.7684 123.521 43.2126 123.521 154.354 -54.2036 43.2129 -54.2039 -161.354 GPRESSURE: 1745800 60.7343 161.349 1.77435 63.234 88.3238 16.729 -16.978 -73.7028 -100.848 PRESSAVG: 1745800 -23.6085 -54.9436 -18.1566 -54.9435 10.8586 -31.065 -18.1566 -31.065 -7.74217 GPRESSAVG: 1745800 -22.7036 -55.3392 -18.8295 -53.0112 10.6269 -31.3384 -19.2297 -29.7098 -7.88575 TIMING: 1745800 CPU: 5589.24, 0.00316696/step Wall: 5589.24, 0.00316696/step, 2.86276 hours remaining, 231.640625 MB of memory in use. ENERGY: 1745800 3999.0357 20530.1082 14554.9506 253.5829 -203747.9991 2924.2802 0.0000 0.0000 51913.5459 -109572.4957 298.3479 -161486.0416 -109207.7127 298.8473 -4.2562 16.0701 761441.0604 -6.8307 -6.6541 PRESSURE: 1746000 108.854 -71.0877 -168.739 -71.0878 -226.699 -62.9842 -168.738 -62.9843 -41.2217 GPRESSURE: 1746000 71.7579 -115.282 -160.909 -7.16004 -92.3364 -32.1363 -34.2971 -89.8347 -52.5783 PRESSAVG: 1746000 -36.6495 7.80933 -20.3713 7.80932 27.6014 -33.3765 -20.3714 -33.3765 -16.9834 GPRESSAVG: 1746000 -35.5349 9.37414 -20.5224 6.32473 27.5888 -33.8894 -19.5736 -32.971 -18.0421 TIMING: 1746000 CPU: 5589.87, 0.00317554/step Wall: 5589.87, 0.00317554/step, 2.87033 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1746000 3983.0734 20360.9133 14506.7281 240.2290 -203462.0762 2659.3692 0.0000 0.0000 52050.0222 -109661.7410 299.1322 -161711.7632 -109301.7737 298.9125 -53.0221 -24.3856 762284.3192 -8.6772 -8.6627 PRESSURE: 1746200 270.271 6.67843 53.7728 6.67832 -86.9694 218.436 53.7728 218.437 -188.425 GPRESSURE: 1746200 166.447 -16.0397 30.4643 18.4414 -3.69047 131.475 32.4468 267.196 -70.7263 PRESSAVG: 1746200 36.9006 -2.58247 -10.4997 -2.58244 -25.9054 -10.9396 -10.4998 -10.9396 12.7158 GPRESSAVG: 1746200 35.2768 -4.11195 -9.14323 -1.85808 -24.5492 -11.9056 -9.60804 -12.139 13.288 TIMING: 1746200 CPU: 5590.51, 0.00317923/step Wall: 5590.51, 0.00317923/step, 2.87349 hours remaining, 231.640625 MB of memory in use. ENERGY: 1746200 3879.9044 20511.8198 14488.9039 263.4527 -203531.0614 2849.9280 0.0000 0.0000 51953.7103 -109583.3423 298.5787 -161537.0526 -109212.8481 298.6737 -1.7079 30.6769 763193.3010 7.9037 8.0052 PRESSURE: 1746400 -284.599 -81.8355 -124.626 -81.836 255.47 -119.091 -124.626 -119.091 280.291 GPRESSURE: 1746400 -109.913 -46.0261 -117.434 -14.0848 135.716 -134.41 -198.616 -155.392 276.571 PRESSAVG: 1746400 32.4333 -37.8532 6.18517 -37.8532 -25.284 -39.1361 6.18517 -39.1361 -13.7791 GPRESSAVG: 1746400 33.6649 -37.7511 4.88894 -37.5277 -26.9497 -38.1654 5.83349 -37.7973 -13.8449 TIMING: 1746400 CPU: 5591.14, 0.0031761/step Wall: 5591.14, 0.0031761/step, 2.87049 hours remaining, 231.640625 MB of memory in use. ENERGY: 1746400 3920.6613 20472.4873 14417.6117 241.1013 -203268.4004 2639.9442 0.0000 0.0000 51705.3650 -109871.2297 297.1514 -161576.5947 -109513.4450 298.5822 83.7211 100.7915 761773.8621 -2.2099 -2.3766 PRESSURE: 1746600 3.54373 26.3693 -13.1873 26.3699 -16.4317 144.161 -13.1868 144.162 354.156 GPRESSURE: 1746600 108.671 67.8759 -3.15875 7.29247 9.59564 161.064 -36.8372 -5.6702 313.534 PRESSAVG: 1746600 21.4716 -50.6277 -19.2234 -50.6277 -67.1022 -33.0769 -19.2233 -33.0768 1.38377 GPRESSAVG: 1746600 21.6632 -52.4496 -19.4855 -50.6994 -67.6521 -32.1649 -20.7682 -34.3155 2.06003 TIMING: 1746600 CPU: 5591.78, 0.00316024/step Wall: 5591.78, 0.00316024/step, 2.85598 hours remaining, 231.640625 MB of memory in use. ENERGY: 1746600 3890.4466 20449.2198 14510.8363 249.1873 -203556.0453 2564.8262 0.0000 0.0000 52047.9136 -109843.6156 299.1201 -161891.5292 -109481.6852 298.0488 113.7558 143.9335 760552.1974 -14.7489 -14.6430 PRESSURE: 1746800 22.9862 8.29109 57.1238 8.29239 41.0037 -195.432 57.1236 -195.432 -211.122 GPRESSURE: 1746800 14.1811 6.48716 98.6191 103.877 112.092 -108.47 -11.7925 -210.047 -176.446 PRESSAVG: 1746800 29.5972 -40.2891 45.7486 -40.289 -38.9846 -49.3383 45.7486 -49.3383 -8.00011 GPRESSAVG: 1746800 29.7412 -39.628 45.6611 -39.5653 -37.0627 -50.6351 43.8427 -48.6053 -9.6325 TIMING: 1746800 CPU: 5592.41, 0.00315529/step Wall: 5592.41, 0.00315529/step, 2.85133 hours remaining, 231.640625 MB of memory in use. ENERGY: 1746800 4026.1079 20510.1254 14440.6566 255.0694 -203419.6917 2459.8774 0.0000 0.0000 51946.6221 -109781.2330 298.5380 -161727.8551 -109421.5736 298.2985 -49.0440 -16.7242 761436.6602 -5.7958 -5.6513 PRESSURE: 1747000 89.1498 -52.225 -180.006 -52.2253 152.98 358.112 -180.006 358.113 -242.914 GPRESSURE: 1747000 148.484 7.7869 -215.102 47.5172 143.49 293.771 -164.986 362.525 -203.543 PRESSAVG: 1747000 -14.8881 31.6501 -18.359 31.6502 -3.89613 -44.2251 -18.359 -44.2253 -9.91974 GPRESSAVG: 1747000 -14.6448 32.9839 -18.2128 33.0583 -5.00702 -43.1684 -16.5246 -43.8893 -8.60777 TIMING: 1747000 CPU: 5593.05, 0.0031947/step Wall: 5593.05, 0.0031947/step, 2.88676 hours remaining, 231.640625 MB of memory in use. ENERGY: 1747000 3937.5457 20450.9595 14513.2106 234.6781 -203637.9852 2626.7175 0.0000 0.0000 52078.8924 -109795.9813 299.2981 -161874.8737 -109432.9116 298.8516 -0.2612 29.4772 760657.2906 -9.5680 -9.4199 PRESSURE: 1747200 272.128 -150.847 15.6217 -150.847 -216.794 24.3126 15.6211 24.3132 519.27 GPRESSURE: 1747200 335.589 24.294 59.4593 -155.448 -188.893 118.573 -104.656 -136.488 535.894 PRESSAVG: 1747200 71.914 -3.90557 24.5042 -3.90562 -82.2478 17.6114 24.5042 17.6114 -8.97232 GPRESSAVG: 1747200 72.2622 -6.03056 25.4148 -5.1801 -82.7244 17.661 22.2259 15.7136 -8.92314 TIMING: 1747200 CPU: 5593.68, 0.00317321/step Wall: 5593.68, 0.00317321/step, 2.86717 hours remaining, 231.640625 MB of memory in use. ENERGY: 1747200 3958.6781 20487.5525 14396.5414 244.7431 -203528.6295 2505.9546 0.0000 0.0000 52139.7839 -109795.3760 299.6481 -161935.1599 -109419.7480 299.3944 191.5346 227.5302 760558.7158 -6.4354 -6.4618 PRESSURE: 1747400 42.976 -154.31 50.9326 -154.311 -123.571 -106.847 50.9329 -106.846 -215.216 GPRESSURE: 1747400 103.127 -164.834 112.715 -68.4178 -18.0819 -29.1206 109.363 -83 -274.633 PRESSAVG: 1747400 -20.5631 -28.9364 -71.8672 -28.9364 23.2734 -30.4901 -71.8672 -30.49 4.90806 GPRESSAVG: 1747400 -21.2126 -27.1194 -73.338 -29.327 24.7077 -30.0807 -68.9637 -29.957 3.99223 TIMING: 1747400 CPU: 5594.31, 0.0031577/step Wall: 5594.31, 0.0031577/step, 2.85298 hours remaining, 231.640625 MB of memory in use. ENERGY: 1747400 4014.9244 20464.2784 14515.6579 241.3275 -203463.5767 2446.6131 0.0000 0.0000 51963.9527 -109816.8226 298.6376 -161780.7753 -109448.0679 298.0687 -98.6037 -63.1959 761021.8824 2.5395 2.4958 PRESSURE: 1747600 358.355 95.7377 -166.309 95.7382 219.754 -26.9915 -166.309 -26.9914 -151.204 GPRESSURE: 1747600 366.548 122.524 -114.319 151.281 207.151 -43.1514 -171.073 -117.561 -54.5719 PRESSAVG: 1747600 11.469 0.410663 -22.4591 0.410614 -0.249525 -7.63952 -22.4591 -7.63952 -7.67462 GPRESSAVG: 1747600 11.3257 1.13914 -21.0124 0.994312 -1.65147 -7.51414 -23.0656 -7.95962 -6.68178 TIMING: 1747600 CPU: 5594.95, 0.00318539/step Wall: 5594.95, 0.00318539/step, 2.87783 hours remaining, 231.640625 MB of memory in use. ENERGY: 1747600 3928.3861 20574.0983 14498.8596 261.9153 -203133.7769 2411.8312 0.0000 0.0000 52046.6338 -109412.0525 299.1127 -161458.6863 -109058.8287 298.8288 142.3018 173.0424 760376.2664 1.1816 0.9975 PRESSURE: 1747800 19.7803 -226.208 -13.9982 -226.209 -61.4713 -399.396 -13.9973 -399.397 -53.2876 GPRESSURE: 1747800 54.2875 -112.334 4.88699 -361.934 -27.7191 -446.522 34.6502 -279.536 -31.3608 PRESSAVG: 1747800 21.1084 -13.5419 -26.2312 -13.5419 9.14839 26.0993 -26.2312 26.0992 5.49553 GPRESSAVG: 1747800 21.7752 -14.9578 -27.0548 -15.0587 8.75155 27.5206 -26.7356 24.6894 5.79572 TIMING: 1747800 CPU: 5595.59, 0.0031858/step Wall: 5595.59, 0.0031858/step, 2.87802 hours remaining, 231.640625 MB of memory in use. ENERGY: 1747800 3951.1796 20466.1709 14545.3734 253.7190 -203433.9566 2700.9997 0.0000 0.0000 52201.7157 -109314.7983 300.0040 -161516.5140 -108941.4793 299.1625 -31.6595 -1.5975 761706.2417 11.9174 12.1075 PRESSURE: 1748000 -100.144 194.971 82.866 194.971 -117.626 -181.536 82.866 -181.535 355.087 GPRESSURE: 1748000 -102.056 199.854 142.372 211.725 -34.988 -192.933 24.386 -54.8726 342.688 PRESSAVG: 1748000 46.4958 -31.272 -1.41723 -31.2719 -32.2022 -13.7238 -1.41725 -13.7238 4.8999 GPRESSAVG: 1748000 44.7227 -30.6343 -1.14725 -29.0681 -30.8948 -14.8368 -0.000433166 -13.3132 5.53 TIMING: 1748000 CPU: 5596.22, 0.003171/step Wall: 5596.22, 0.003171/step, 2.86447 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1748000 3911.4281 20701.5165 14459.2695 238.3323 -203131.0566 2436.6367 0.0000 0.0000 52125.8468 -109258.0267 299.5680 -161383.8735 -108885.0868 299.4326 45.7723 68.5481 761282.4457 6.3978 6.4526 PRESSURE: 1748200 395.643 42.4408 116.909 42.4406 45.1277 -27.6392 116.91 -27.6393 -48.826 GPRESSURE: 1748200 471.177 45.462 22.4035 27.4593 85.3762 -28.9071 66.9205 0.334873 -71.9808 PRESSAVG: 1748200 11.5647 -12.8221 -26.583 -12.822 -41.8303 15.8529 -26.583 15.8529 20.3491 GPRESSAVG: 1748200 11.948 -15.0714 -27.5657 -14.3825 -40.6383 14.2911 -26.3661 19.0038 18.3648 TIMING: 1748200 CPU: 5596.85, 0.00316609/step Wall: 5596.85, 0.00316609/step, 2.85986 hours remaining, 231.640625 MB of memory in use. ENERGY: 1748200 3949.0923 20652.3640 14549.7662 249.3108 -202993.5300 2220.8241 0.0000 0.0000 51988.0539 -109384.1187 298.7761 -161372.1726 -109038.2042 299.5159 130.6483 161.5242 760127.3545 -3.3055 -3.4418 LDB: ============= START OF LOAD BALANCING ============== 5609.28 LDB: ============== END OF LOAD BALANCING =============== 5609.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5609.28 LDB: ============= START OF LOAD BALANCING ============== 5609.59 LDB: Largest compute 7066 load 0.035387 is 18.1% of average load 0.195293 LDB: Average compute 0.004431 is 2.3% of average load 0.195293 LDB: TIME 5609.6 LOAD: AVG 0.195293 MAX 0.214974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.301 MB LDB: TIME 5609.6 LOAD: AVG 0.195293 MAX 0.214974 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.395 MB LDB: TIME 5609.6 LOAD: AVG 0.195293 MAX 0.214974 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.395 MB LDB: ============== END OF LOAD BALANCING =============== 5609.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5609.6 PRESSURE: 1748400 -332.678 -314.994 -235.42 -314.993 -90.6718 -274.436 -235.42 -274.436 -229.93 GPRESSURE: 1748400 -219.394 -330.489 -184.921 -370.163 -137.486 -412.287 -236.044 -156.676 -191.262 PRESSAVG: 1748400 19.5745 19.424 -22.3715 19.424 -24.8085 4.26679 -22.3715 4.26682 7.65296 GPRESSAVG: 1748400 21.0877 20.5156 -21.18 20.9242 -26.5099 5.40266 -22.8889 2.93847 8.3668 TIMING: 1748400 CPU: 5597.5, 0.00322155/step Wall: 5597.5, 0.00322155/step, 2.90978 hours remaining, 234.191406 MB of memory in use. ENERGY: 1748400 4082.7038 20649.8678 14557.1961 243.3836 -203240.2458 2463.4238 0.0000 0.0000 51891.0507 -109352.6199 298.2186 -161243.6707 -109002.7364 299.9926 -217.7597 -182.7143 761190.0416 0.8063 0.9815 PRESSURE: 1748600 25.676 -123.172 -235.856 -123.173 -101.653 145.299 -235.857 145.299 40.1881 GPRESSURE: 1748600 135.15 -55.1789 -235.574 -232.147 -84.3256 111.062 -179.067 67.1961 -2.97476 PRESSAVG: 1748600 36.9959 -38.2515 -9.77705 -38.2515 -40.2503 -15.4937 -9.77701 -15.4937 0.672725 GPRESSAVG: 1748600 36.457 -36.317 -8.3111 -38.0054 -39.3051 -17.1662 -11.4476 -15.9082 -0.145838 TIMING: 1748600 CPU: 5598.13, 0.00317098/step Wall: 5598.13, 0.00317098/step, 2.86392 hours remaining, 234.339844 MB of memory in use. ENERGY: 1748600 3990.0397 20250.3640 14522.8004 234.8055 -203450.1099 2579.5264 0.0000 0.0000 52345.4072 -109527.1665 300.8298 -161872.5738 -109165.8447 299.6214 -11.9295 15.9500 759761.7100 -0.8606 -0.9980 PRESSURE: 1748800 -302.417 46.6907 339.172 46.6919 -731.534 64.8617 339.171 64.8619 -138.102 GPRESSURE: 1748800 -402.155 -80.1368 335.789 -41.3924 -566.649 91.5436 315.237 29.7193 -123.653 PRESSAVG: 1748800 -4.96502 -25.1045 -1.794 -25.1045 32.833 -10.1679 -1.79402 -10.168 17.219 GPRESSAVG: 1748800 -4.80229 -28.3808 -3.19833 -26.1995 32.0498 -8.88171 0.832131 -7.24082 17.5321 TIMING: 1748800 CPU: 5598.77, 0.00317297/step Wall: 5598.77, 0.00317297/step, 2.86555 hours remaining, 234.339844 MB of memory in use. ENERGY: 1748800 4051.1178 20366.8440 14544.8737 231.7411 -202820.1119 2179.1371 0.0000 0.0000 52101.0206 -109345.3775 299.4253 -161446.3981 -108985.0008 299.5776 -390.6845 -364.1523 761081.4118 15.0290 14.9265 PRESSURE: 1749000 -109.701 98.1364 -233.934 98.1356 -103.555 128.071 -233.935 128.072 268.385 GPRESSURE: 1749000 -118.025 77.3169 -264.897 -45.967 -29.7202 129.285 -153.997 -26.6246 292.574 PRESSAVG: 1749000 -43.2007 6.31666 11.7628 6.31665 8.80759 -43.4636 11.7629 -43.4635 -7.39995 GPRESSAVG: 1749000 -43.8107 7.88329 11.4524 5.82251 9.20307 -44.7483 10.6907 -45.5096 -7.81574 TIMING: 1749000 CPU: 5599.4, 0.00316165/step Wall: 5599.4, 0.00316165/step, 2.85515 hours remaining, 234.339844 MB of memory in use. ENERGY: 1749000 4037.6929 20625.1044 14551.5882 248.6532 -202992.4426 2328.6882 0.0000 0.0000 52046.3881 -109154.3278 299.1113 -161200.7158 -108788.3960 299.4851 18.3763 48.2763 761296.0315 -13.9310 -14.1411 PRESSURE: 1749200 192.391 223.398 -67.6237 223.397 -198.802 275.551 -67.6237 275.551 -57.6583 GPRESSURE: 1749200 291.695 156.374 -121.382 224.594 -157.163 295.827 28.8112 165.191 -110.846 PRESSAVG: 1749200 -18.5935 3.22922 21.2243 3.22921 -0.204523 6.66543 21.2243 6.66535 45.0857 GPRESSAVG: 1749200 -18.0892 2.3922 22.8469 3.89929 -0.612123 8.74251 21.4766 6.06996 44.7311 TIMING: 1749200 CPU: 5600.04, 0.00320325/step Wall: 5600.04, 0.00320325/step, 2.89254 hours remaining, 234.339844 MB of memory in use. ENERGY: 1749200 3926.7103 20528.7955 14509.9897 245.4895 -203173.9434 2551.8404 0.0000 0.0000 52332.4323 -109078.6858 300.7552 -161411.1180 -108713.4778 300.0819 -21.3564 7.8951 760840.8234 8.7626 8.6766 PRESSURE: 1749400 19.0147 54.2557 -175.279 54.2564 -218.134 112.42 -175.278 112.421 27.7143 GPRESSURE: 1749400 27.8541 5.86422 -107.559 33.0332 -203.106 168.721 -163.857 85.6225 87.5704 PRESSAVG: 1749400 -15.9048 -15.3313 28.0388 -15.3312 6.22365 41.7425 28.0388 41.7426 -0.0494693 GPRESSAVG: 1749400 -15.2312 -14.3622 27.6301 -17.0577 6.06848 41.5896 29.9626 42.5135 -0.45928 TIMING: 1749400 CPU: 5600.67, 0.00316904/step Wall: 5600.67, 0.00316904/step, 2.86147 hours remaining, 234.339844 MB of memory in use. ENERGY: 1749400 3947.8799 20494.1019 14561.7495 254.7435 -202881.7824 2111.5526 0.0000 0.0000 52247.3706 -109264.3845 300.2664 -161511.7551 -108893.4705 299.6155 -57.1351 -29.2271 760347.6115 -3.2435 -3.2073 PRESSURE: 1749600 -28.5768 -51.6062 42.5622 -51.6074 118.405 387.559 42.5616 387.559 -19.6883 GPRESSURE: 1749600 1.82016 -45.5859 79.609 4.34747 130.814 273.134 34.3028 315.483 33.3286 PRESSAVG: 1749600 -6.21396 -39.9707 0.380064 -39.9707 8.76107 32.1986 0.380078 32.1985 -19.0777 GPRESSAVG: 1749600 -6.94381 -40.8879 0.801829 -37.6047 8.13842 30.6209 -1.34305 32.3426 -18.0952 TIMING: 1749600 CPU: 5601.31, 0.00318692/step Wall: 5601.31, 0.00318692/step, 2.87744 hours remaining, 234.339844 MB of memory in use. ENERGY: 1749600 3953.3506 20504.6455 14570.2016 252.5303 -203506.6765 2633.1322 0.0000 0.0000 52191.1723 -109401.6440 299.9434 -161592.8162 -109037.2641 299.7256 23.3799 55.3209 761120.3236 -5.5102 -5.6335 PRESSURE: 1749800 -256.126 97.0886 -190.266 97.0882 18.2391 93.1929 -190.265 93.1924 -510.039 GPRESSURE: 1749800 -125.336 100.761 -148.058 -49.991 15.0489 129.08 -128.108 126.899 -544.521 PRESSAVG: 1749800 -51.8871 -29.5598 -48.0075 -29.5599 9.55459 21.9767 -48.0075 21.9767 24.7672 GPRESSAVG: 1749800 -51.6476 -29.6327 -49.1381 -32.2958 9.34557 23.6153 -48.5637 22.1051 24.5935 TIMING: 1749800 CPU: 5601.95, 0.00319902/step Wall: 5601.95, 0.00319902/step, 2.88818 hours remaining, 234.351562 MB of memory in use. ENERGY: 1749800 4023.5957 20497.8431 14497.9786 262.9262 -203331.8123 2513.9659 0.0000 0.0000 52072.6089 -109462.8940 299.2620 -161535.5029 -109099.7826 299.4046 -249.3086 -218.2693 762887.8341 -5.8551 -5.9028 PRESSURE: 1750000 -203.79 -177.016 51.4758 -177.015 -253.309 -124.551 51.4754 -124.551 131.071 GPRESSURE: 1750000 -197.904 -37.637 89.1947 -199.993 -168.514 -183.165 56.1763 -155.97 120.246 PRESSAVG: 1750000 5.2489 12.3775 -9.61279 12.3775 -18.7738 -5.63314 -9.61272 -5.63313 -17.0793 GPRESSAVG: 1750000 4.45963 12.9529 -7.83212 13.4284 -18.8393 -5.76808 -10.9402 -6.69345 -16.3776 TIMING: 1750000 CPU: 5602.59, 0.00317866/step Wall: 5602.59, 0.00317866/step, 2.86962 hours remaining, 234.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1750000 3978.5791 20577.8328 14451.6281 233.7142 -203078.4669 2285.0973 0.0000 0.0000 52165.0196 -109386.5959 299.7931 -161551.6155 -109014.3972 299.2252 -108.6761 -82.0574 762562.9276 -10.2014 -10.2524 PRESSURE: 1750200 -282.348 -42.6952 -155.55 -42.6958 141.405 12.4758 -155.551 12.4752 -64.5526 GPRESSURE: 1750200 -287.61 12.6523 -99.8488 -43.9961 170.456 21.7631 -180.428 67.3871 -8.28525 PRESSAVG: 1750200 -7.93344 -50.8065 -9.17164 -50.8065 3.08398 -3.88345 -9.17163 -3.88346 5.49098 GPRESSAVG: 1750200 -7.6368 -51.0992 -8.75845 -49.7474 3.45161 -5.04448 -7.88301 -3.88316 4.766 TIMING: 1750200 CPU: 5603.22, 0.00316777/step Wall: 5603.22, 0.00316777/step, 2.85962 hours remaining, 234.351562 MB of memory in use. ENERGY: 1750200 4106.5745 20512.8471 14547.3107 249.4675 -203838.3188 2901.0131 0.0000 0.0000 52017.8983 -109503.2075 298.9476 -161521.1058 -109142.5129 299.5341 -68.4987 -41.8132 761920.6652 0.2138 0.1936 PRESSURE: 1750400 -66.8842 -89.8187 47.1322 -89.8191 -172.351 -104.45 47.1311 -104.45 -117.191 GPRESSURE: 1750400 -127.545 -21.6386 97.7011 -230.844 -134.812 -138.898 -87.4316 12.168 -18.6776 PRESSAVG: 1750400 -24.7453 -6.27909 -57.0427 -6.27914 12.1508 -4.91537 -57.0426 -4.91537 -6.01331 GPRESSAVG: 1750400 -24.3193 -6.57114 -58.8158 -7.25734 11.1302 -4.27612 -56.7236 -3.68519 -5.50845 TIMING: 1750400 CPU: 5603.85, 0.00317061/step Wall: 5603.85, 0.00317061/step, 2.862 hours remaining, 234.351562 MB of memory in use. ENERGY: 1750400 3914.8765 20564.9993 14501.3810 252.5624 -203465.5514 2569.3687 0.0000 0.0000 52081.4880 -109580.8755 299.3130 -161662.3635 -109214.5995 299.1278 -118.8088 -93.6781 762595.1166 -6.2026 -6.2325 PRESSURE: 1750600 69.8375 33.4581 61.3443 33.4586 67.1075 -209.618 61.3442 -209.618 78.5181 GPRESSURE: 1750600 2.68223 -44.5317 67.5124 -18.9111 87.9171 -164.696 -47.0868 -189.91 204.782 PRESSAVG: 1750600 32.2552 33.3226 0.915183 33.3226 -47.5039 41.2375 0.915215 41.2375 23.748 GPRESSAVG: 1750600 33.1282 31.9826 2.86445 36.2127 -46.1878 41.6206 -0.140127 40.7791 22.416 TIMING: 1750600 CPU: 5604.49, 0.00319415/step Wall: 5604.49, 0.00319415/step, 2.88307 hours remaining, 234.351562 MB of memory in use. ENERGY: 1750600 3935.7060 20502.6269 14555.3683 253.0220 -203975.1258 2859.9347 0.0000 0.0000 51966.6572 -109901.8108 298.6531 -161868.4680 -109531.2653 298.5476 71.8210 98.4604 761178.2558 2.8331 3.1188 PRESSURE: 1750800 318.475 -46.3693 49.7953 -46.369 461.392 127.9 49.7951 127.9 182.455 GPRESSURE: 1750800 342.089 -11.4593 4.4095 -72.9275 495.218 185.115 24.4084 98.6015 217.909 PRESSAVG: 1750800 15.7324 1.93558 20.766 1.93561 10.5622 -18.8378 20.766 -18.8379 -4.5307 GPRESSAVG: 1750800 15.3947 3.6485 19.7963 0.813855 9.07629 -18.5237 22.0226 -19.412 -2.97364 TIMING: 1750800 CPU: 5605.13, 0.00319798/step Wall: 5605.13, 0.00319798/step, 2.88636 hours remaining, 234.351562 MB of memory in use. ENERGY: 1750800 4032.8895 20593.0373 14524.9444 245.1670 -204294.7948 3112.7736 0.0000 0.0000 51771.1551 -110014.8278 297.5295 -161785.9829 -109664.8964 298.5492 320.7738 351.7389 758968.9667 7.2547 7.1658 PRESSURE: 1751000 -115.176 123.977 -4.65638 123.977 17.1114 276.617 -4.65576 276.618 369.815 GPRESSURE: 1751000 -154.678 228.162 92.3373 234.683 117.377 206.543 -104.762 349.392 384.047 PRESSAVG: 1751000 46.1143 22.4055 -34.5433 22.4055 14.3341 54.2626 -34.5433 54.2625 18.6623 GPRESSAVG: 1751000 45.8293 22.0626 -35.2985 20.5362 14.8925 53.0168 -35.0276 54.9978 18.3472 TIMING: 1751000 CPU: 5605.76, 0.00315293/step Wall: 5605.76, 0.00315293/step, 2.84552 hours remaining, 234.351562 MB of memory in use. ENERGY: 1751000 4004.1049 20654.2251 14522.2561 241.4164 -203975.8484 2649.6621 0.0000 0.0000 51585.2165 -110318.9673 296.4609 -161904.1838 -109969.0353 297.7642 90.5836 115.5819 759083.7157 26.3702 26.3563 PRESSURE: 1751200 226.333 -153.817 -64.525 -153.816 209.921 -154.278 -64.5255 -154.277 61.7263 GPRESSURE: 1751200 275.323 -216.839 0.81474 -103.07 191.136 -149.818 21.5089 -159.453 118.927 PRESSAVG: 1751200 21.2783 -2.2379 -27.1465 -2.23791 10.1057 38.3708 -27.1466 38.3708 10.3197 GPRESSAVG: 1751200 20.3792 -3.08062 -26.4179 -2.12217 9.90731 39.4045 -25.7705 36.7159 11.2986 TIMING: 1751200 CPU: 5606.39, 0.00315121/step Wall: 5606.39, 0.00315121/step, 2.84379 hours remaining, 234.351562 MB of memory in use. ENERGY: 1751200 3944.4324 20436.4997 14467.8654 227.4646 -203878.4828 2686.8711 0.0000 0.0000 51703.3440 -110412.0056 297.1398 -162115.3496 -110045.1196 297.3800 165.9936 195.1286 759891.7506 13.9012 13.8617 PRESSURE: 1751400 5.47268 -79.6815 69.7277 -79.6809 -256.184 -53.4472 69.7275 -53.4465 81.4127 GPRESSURE: 1751400 154.033 -94.1176 24.5827 -151.241 -311.06 -26.9658 63.8646 -31.599 60.993 PRESSAVG: 1751400 0.395515 -53.1148 27.115 -53.1148 -18.1367 60.0326 27.115 60.0327 0.630961 GPRESSAVG: 1751400 1.23681 -52.4042 26.7435 -55.5932 -18.037 58.7662 25.8695 60.6882 -0.815915 TIMING: 1751400 CPU: 5607.02, 0.00314326/step Wall: 5607.02, 0.00314326/step, 2.83644 hours remaining, 234.351562 MB of memory in use. ENERGY: 1751400 3885.2880 20365.3849 14516.3486 224.2713 -203942.6287 2778.7792 0.0000 0.0000 51741.1373 -110431.4194 297.3570 -162172.5567 -110075.5339 297.3890 -56.4328 -32.0114 759859.5908 -5.7034 -5.8720 PRESSURE: 1751600 -26.5978 5.06335 34.5842 5.06418 -162.372 193.734 34.5845 193.733 -312.953 GPRESSURE: 1751600 -7.27814 69.0762 108.403 16.1698 -137.763 149.609 -55.4444 141.831 -265.586 PRESSAVG: 1751600 36.5874 -13.1778 -33.1671 -13.1778 -43.2121 -44.4257 -33.1672 -44.4257 10.7675 GPRESSAVG: 1751600 35.5543 -11.2593 -31.8239 -11.599 -43.7485 -43.5924 -32.8406 -43.6476 11.3948 TIMING: 1751600 CPU: 5607.66, 0.0031718/step Wall: 5607.66, 0.0031718/step, 2.86202 hours remaining, 234.351562 MB of memory in use. ENERGY: 1751600 3907.5152 20405.4802 14435.5962 265.1432 -203659.8130 2529.7593 0.0000 0.0000 51851.6510 -110264.6677 297.9922 -162116.3188 -109903.5691 297.5957 -167.3074 -136.8756 760114.9260 1.3809 1.0669 PRESSURE: 1751800 102.712 -94.4651 49.4272 -94.4653 186.841 215.029 49.4273 215.028 -191.2 GPRESSURE: 1751800 213.622 20.2908 22.059 -19.1118 208.475 333.579 -8.71819 188.709 -230.317 PRESSAVG: 1751800 -29.5562 -30.3216 -8.89198 -30.3216 11.6647 -14.227 -8.89199 -14.2271 9.59984 GPRESSAVG: 1751800 -28.9183 -31.1281 -11.1266 -30.1428 11.2874 -15.0331 -9.25335 -11.4719 9.19578 TIMING: 1751800 CPU: 5608.29, 0.00315104/step Wall: 5608.29, 0.00315104/step, 2.84311 hours remaining, 234.351562 MB of memory in use. ENERGY: 1751800 3946.5103 20471.7333 14462.7044 268.4113 -203698.0621 2579.6568 0.0000 0.0000 51875.9579 -110093.0881 298.1318 -161969.0461 -109733.9571 298.5230 32.7844 63.9267 759927.7273 -2.7639 -2.8117 PRESSURE: 1752000 -248.412 121.044 -141.908 121.045 -410.576 -318.13 -141.908 -318.129 -197.758 GPRESSURE: 1752000 -246.413 60.3007 -188.717 63.4897 -386.89 -356.231 -99.2707 -231.731 -138.579 PRESSAVG: 1752000 1.47074 -23.9463 10.7151 -23.9463 -21.9786 -33.8134 10.7152 -33.8133 2.6402 GPRESSAVG: 1752000 1.36189 -24.1157 10.7349 -23.6326 -21.5479 -32.4448 9.66291 -35.9851 2.1376 TIMING: 1752000 CPU: 5608.92, 0.00315272/step Wall: 5608.92, 0.00315272/step, 2.84445 hours remaining, 234.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1752000 4024.2320 20645.5038 14443.9624 239.2609 -203412.7872 2321.1231 0.0000 0.0000 51900.0559 -109838.6492 298.2703 -161738.7051 -109484.9034 298.9721 -285.5821 -257.2939 760758.7966 -5.9559 -6.0161 PRESSURE: 1752200 -4.6105 -72.0401 -44.3188 -72.0399 110.848 58.9569 -44.3189 58.9563 215.798 GPRESSURE: 1752200 50.3478 -40.8112 35.6953 -146.047 185.473 39.9418 65.287 41.9368 180.629 PRESSAVG: 1752200 -29.6567 -23.4505 -1.0688 -23.4504 14.5824 -36.9994 -1.06878 -36.9994 -33.4406 GPRESSAVG: 1752200 -29.9504 -24.0897 0.278382 -24.6845 14.9846 -37.8858 1.21148 -37.0482 -33.6377 TIMING: 1752200 CPU: 5609.56, 0.00318768/step Wall: 5609.56, 0.00318768/step, 2.87582 hours remaining, 234.351562 MB of memory in use. ENERGY: 1752200 3935.7464 20539.9985 14457.4783 228.0994 -203899.7973 2798.4024 0.0000 0.0000 52061.6697 -109878.4026 299.1991 -161940.0723 -109524.1976 298.6756 107.3451 138.8168 760073.8973 -16.1716 -16.2012 LDB: ============= START OF LOAD BALANCING ============== 5621.99 LDB: ============== END OF LOAD BALANCING =============== 5621.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5621.99 LDB: ============= START OF LOAD BALANCING ============== 5622.31 LDB: Largest compute 7033 load 0.036017 is 18.4% of average load 0.195355 LDB: Average compute 0.004412 is 2.3% of average load 0.195355 LDB: TIME 5622.31 LOAD: AVG 0.195355 MAX 0.211463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.66 MB LDB: TIME 5622.31 LOAD: AVG 0.195355 MAX 0.211463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.754 MB LDB: TIME 5622.31 LOAD: AVG 0.195355 MAX 0.211463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.754 MB LDB: ============== END OF LOAD BALANCING =============== 5622.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5622.32 PRESSURE: 1752400 63.5931 65.9211 118.32 65.9206 282.109 -29.7659 118.321 -29.7658 -96.8428 GPRESSURE: 1752400 80.236 176.469 28.4448 127.673 301.225 -27.0676 203.101 -39.4714 -55.87 PRESSAVG: 1752400 15.7581 8.24491 -25.1227 8.24499 35.9087 -7.99958 -25.1228 -7.99962 5.77254 GPRESSAVG: 1752400 15.4518 7.67893 -26.8863 9.92326 34.8922 -8.27211 -25.865 -7.71261 7.06946 TIMING: 1752400 CPU: 5610.21, 0.00328905/step Wall: 5610.21, 0.00328905/step, 2.96708 hours remaining, 231.230469 MB of memory in use. ENERGY: 1752400 3955.4232 20725.4996 14434.7406 239.2862 -203685.8439 2626.7102 0.0000 0.0000 51970.9594 -109733.2247 298.6778 -161704.1842 -109374.0272 299.2772 82.9533 108.5304 758983.0302 19.1464 19.1378 PRESSURE: 1752600 -115.429 62.9129 38.1886 62.9126 -54.0154 90.1482 38.1884 90.1478 -327.677 GPRESSURE: 1752600 -99.3438 75.5367 -73.4429 8.80283 29.3504 63.2738 -73.3776 109.335 -337.021 PRESSAVG: 1752600 10.9706 38.0674 64.0381 38.0675 -17.4305 -12.8598 64.0381 -12.8598 -5.68698 GPRESSAVG: 1752600 11.7014 39.4412 65.1067 39.68 -16.0383 -12.698 62.5211 -12.1282 -7.93746 TIMING: 1752600 CPU: 5610.86, 0.003211/step Wall: 5610.86, 0.003211/step, 2.8965 hours remaining, 231.371094 MB of memory in use. ENERGY: 1752600 4021.5290 20449.3717 14531.2255 244.6261 -203921.6356 2788.8345 0.0000 0.0000 51907.8525 -109978.1963 298.3151 -161886.0488 -109617.9638 298.6788 -165.7072 -135.6716 760132.2123 -4.0490 -4.0915 PRESSURE: 1752800 234.737 39.7155 -44.2786 39.7149 -130.801 133.054 -44.2786 133.054 -36.8345 GPRESSURE: 1752800 270.842 8.24257 -83.8424 42.4618 -105.358 154.205 -17.1293 53.888 0.173135 PRESSAVG: 1752800 51.8447 -8.85928 23.2155 -8.85927 16.5611 15.6188 23.2155 15.6188 -15.7685 GPRESSAVG: 1752800 50.928 -9.40229 22.3343 -12.3993 16.5543 16.2983 23.6577 15.1832 -14.8408 TIMING: 1752800 CPU: 5611.49, 0.00318559/step Wall: 5611.49, 0.00318559/step, 2.8734 hours remaining, 231.371094 MB of memory in use. ENERGY: 1752800 4045.1606 20497.4463 14508.1819 244.2393 -203874.5902 2780.2905 0.0000 0.0000 52100.4657 -109698.8059 299.4221 -161799.2716 -109335.0288 298.8972 22.3672 55.2190 759389.7724 17.5458 17.5471 PRESSURE: 1753000 -135.428 -70.8736 -42.4109 -70.8734 -433.003 -12.7169 -42.4112 -12.7173 105.536 GPRESSURE: 1753000 -73.2756 13.0909 -73.6579 -98.075 -367.68 15.5187 -42.8937 21.0991 74.3311 PRESSAVG: 1753000 -30.8577 -0.0844827 25.6459 -0.0844816 -5.85501 39.4262 25.6459 39.4261 -16.6445 GPRESSAVG: 1753000 -31.0009 -2.24811 25.9604 0.745275 -6.09787 38.5107 27.0559 38.8545 -16.1036 TIMING: 1753000 CPU: 5612.13, 0.00317145/step Wall: 5612.13, 0.00317145/step, 2.86047 hours remaining, 231.371094 MB of memory in use. ENERGY: 1753000 3925.5849 20466.9176 14480.2954 243.1639 -203235.3484 2295.2453 0.0000 0.0000 52071.3543 -109752.7869 299.2548 -161824.1412 -109387.8613 298.4731 -154.2983 -122.2081 760681.9846 -17.7858 -17.7341 PRESSURE: 1753200 7.45869 -16.593 -278.507 -16.5924 -25.5705 -329.259 -278.507 -329.26 284.494 GPRESSURE: 1753200 -19.7764 4.21271 -303.618 -48.2908 103.993 -240.252 -155.625 -231.657 283.707 PRESSAVG: 1753200 -13.5124 -18.3973 -22.7621 -18.3974 -12.0555 25.1587 -22.7622 25.1587 17.1508 GPRESSAVG: 1753200 -13.6292 -13.3477 -21.8048 -18.3075 -11.3163 24.6961 -22.7956 25.9975 16.934 TIMING: 1753200 CPU: 5612.76, 0.00315332/step Wall: 5612.76, 0.00315332/step, 2.84394 hours remaining, 231.371094 MB of memory in use. ENERGY: 1753200 3921.1647 20434.6096 14492.2825 245.2545 -203505.5925 2701.9368 0.0000 0.0000 51974.5487 -109735.7957 298.6984 -161710.3444 -109376.1744 298.6222 88.7941 122.6411 761762.1769 -2.8057 -2.6705 PRESSURE: 1753400 -143.087 -75.3596 40.5461 -75.3591 110.103 -271.195 40.5457 -271.196 -197.594 GPRESSURE: 1753400 -13.7672 -53.3255 122.892 -65.0446 19.1945 -331.957 -114.318 -232.449 -143.229 PRESSAVG: 1753400 -0.264229 -36.8959 34.6892 -36.8959 -5.45397 -44.4301 34.6891 -44.4301 -6.40374 GPRESSAVG: 1753400 -0.334668 -40.1035 32.6821 -36.4981 -5.3525 -43.7218 33.9579 -44.7243 -6.3103 TIMING: 1753400 CPU: 5613.39, 0.00316245/step Wall: 5613.39, 0.00316245/step, 2.85201 hours remaining, 231.371094 MB of memory in use. ENERGY: 1753400 3936.7972 20605.6898 14506.7354 216.8246 -203726.8837 2516.5482 0.0000 0.0000 52091.2929 -109852.9956 299.3694 -161944.2885 -109491.4674 298.7459 -76.8594 -45.9339 759844.6761 -4.0406 -3.9992 PRESSURE: 1753600 -219.307 176.391 -141.827 176.391 61.2319 -53.3028 -141.827 -53.3021 132.169 GPRESSURE: 1753600 -233.218 206.036 -91.1289 8.59187 58.4657 -19.5613 -67.3961 -38.5551 224.77 PRESSAVG: 1753600 22.9918 -5.50114 -10.3756 -5.50115 0.748217 -12.7538 -10.3755 -12.7538 0.213816 GPRESSAVG: 1753600 22.6766 -5.06641 -9.06219 -6.14452 -0.100272 -12.8029 -11.4896 -10.9151 1.25534 TIMING: 1753600 CPU: 5614.03, 0.00319137/step Wall: 5614.03, 0.00319137/step, 2.87791 hours remaining, 231.371094 MB of memory in use. ENERGY: 1753600 4034.6890 20427.9226 14506.9961 262.9564 -203571.3254 2489.4966 0.0000 0.0000 52047.7620 -109801.5026 299.1192 -161849.2646 -109430.5653 299.1121 -8.6353 16.6723 759876.7369 7.9846 7.9439 PRESSURE: 1753800 419.762 -10.9625 -82.7507 -10.963 -142.255 -65.84 -82.751 -65.8392 142.104 GPRESSURE: 1753800 425.75 -113.933 -186.173 23.6525 -79.046 -86.1514 -10.4296 -40.2931 177.46 PRESSAVG: 1753800 4.52022 -2.25442 -0.124887 -2.25445 28.0214 -9.14085 -0.124918 -9.14075 2.16492 GPRESSAVG: 1753800 5.67047 -1.16128 -0.978665 -2.6397 27.9474 -10.1112 1.30328 -9.61477 0.949397 TIMING: 1753800 CPU: 5614.66, 0.00316623/step Wall: 5614.66, 0.00316623/step, 2.85506 hours remaining, 231.371094 MB of memory in use. ENERGY: 1753800 4003.5286 20462.8708 14457.8365 246.2409 -203758.2052 2812.1861 0.0000 0.0000 51912.3569 -109863.1854 298.3410 -161775.5423 -109501.7083 298.7914 139.8702 174.7215 761150.3685 11.5689 11.5224 PRESSURE: 1754000 -3.98304 73.0148 159.962 73.017 491.893 132.742 159.962 132.743 -189.996 GPRESSURE: 1754000 12.2225 -36.0315 175.135 58.7075 364.067 120.057 73.1608 62.2302 -11.285 PRESSAVG: 1754000 -1.98895 0.803463 17.9934 0.803461 39.4486 -37.5904 17.9934 -37.5904 -0.252317 GPRESSAVG: 1754000 -2.44685 -1.3681 16.5426 1.9887 38.5219 -35.7765 16.3806 -38.4372 0.312847 TIMING: 1754000 CPU: 5615.29, 0.0031533/step Wall: 5615.29, 0.0031533/step, 2.84323 hours remaining, 231.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1754000 3963.8333 20574.3116 14445.4440 250.5116 -203648.2979 2605.5778 0.0000 0.0000 51959.1261 -109849.4934 298.6098 -161808.6195 -109495.2511 298.6639 99.3048 121.6683 760786.6722 12.4024 12.1293 PRESSURE: 1754200 -382.071 -194.373 -249.532 -194.373 -144.405 -45.9411 -249.532 -45.9406 -216.125 GPRESSURE: 1754200 -323.406 -90.8913 -245.524 -171.997 -97.6592 -71.8388 -288.525 -28.2573 -232.794 PRESSAVG: 1754200 -16.0835 14.2637 41.4823 14.2637 10.1529 -31.2236 41.4823 -31.2236 15.1857 GPRESSAVG: 1754200 -16.8947 15.1342 44.1417 14.011 10.9042 -30.3928 41.0416 -31.1605 15.1696 TIMING: 1754200 CPU: 5615.93, 0.00318213/step Wall: 5615.93, 0.00318213/step, 2.86904 hours remaining, 231.371094 MB of memory in use. ENERGY: 1754200 4021.2700 20375.5244 14437.0810 258.7210 -203196.8220 2437.6838 0.0000 0.0000 51752.1074 -109914.4344 297.4201 -161666.5418 -109557.0741 298.3978 -247.5336 -217.9530 761367.9273 3.0850 3.0597 PRESSURE: 1754400 -192.17 84.5632 4.67444 84.5635 -404.881 1.88564 4.67514 1.88647 -312.457 GPRESSURE: 1754400 -149.448 25.5386 13.4615 45.4701 -337.851 -27.6166 -112.355 15.2551 -319.713 PRESSAVG: 1754400 46.1954 -23.7093 48.6682 -23.7093 -47.3522 -1.14386 48.6682 -1.1438 -5.99322 GPRESSAVG: 1754400 45.8808 -24.2253 48.5103 -24.1383 -46.7981 -2.12762 50.5795 -0.292363 -6.29194 TIMING: 1754400 CPU: 5616.57, 0.00319048/step Wall: 5616.57, 0.00319048/step, 2.8764 hours remaining, 231.371094 MB of memory in use. ENERGY: 1754400 3946.0561 20528.3708 14428.3423 226.4204 -203223.1718 2349.6857 0.0000 0.0000 51978.0846 -109766.2119 298.7188 -161744.2966 -109406.4501 298.4977 -303.1693 -269.0038 761309.7445 -2.3834 -2.4031 PRESSURE: 1754600 349.063 157.445 190.315 157.445 61.0865 65.3378 190.315 65.3375 79.3636 GPRESSURE: 1754600 320.214 1.91219 146.4 197.047 150.805 45.3054 78.6482 221.899 111.085 PRESSAVG: 1754600 42.1316 -54.0767 76.3391 -54.0766 -15.7876 40.3412 76.339 40.3412 2.26445 GPRESSAVG: 1754600 42.1812 -54.2237 76.5318 -53.8011 -15.5436 39.7772 72.7808 41.0003 1.90295 TIMING: 1754600 CPU: 5617.2, 0.00314712/step Wall: 5617.2, 0.00314712/step, 2.83713 hours remaining, 231.371094 MB of memory in use. ENERGY: 1754600 3915.4973 20458.1919 14485.8081 236.5368 -203407.5600 2650.8246 0.0000 0.0000 51994.8499 -109665.8514 298.8151 -161660.7013 -109310.7191 298.7982 163.1711 194.0346 761282.2619 9.5362 9.5135 PRESSURE: 1754800 326.692 59.1127 14.4741 59.1139 -22.8442 0.330488 14.4736 0.331252 -150.305 GPRESSURE: 1754800 270.921 13.4176 -7.42216 157.134 127.517 -56.0525 17.3308 -16.6749 -173.492 PRESSAVG: 1754800 23.0397 -6.83064 31.2596 -6.83066 3.11803 8.50623 31.2595 8.50623 8.51712 GPRESSAVG: 1754800 22.438 -7.17222 31.1333 -6.36259 4.08956 8.09411 34.0035 7.75685 8.23085 TIMING: 1754800 CPU: 5617.83, 0.00317587/step Wall: 5617.83, 0.00317587/step, 2.86287 hours remaining, 231.371094 MB of memory in use. ENERGY: 1754800 3966.7783 20515.8828 14488.5235 252.2252 -203630.3037 2640.7604 0.0000 0.0000 51960.3186 -109805.8150 298.6167 -161766.1336 -109446.5522 298.7773 51.1811 74.9819 758987.1776 11.5583 11.5861 PRESSURE: 1755000 -2.5931 -106.854 84.8318 -106.853 -10.1237 -155.625 84.8321 -155.625 -38.0167 GPRESSURE: 1755000 36.3839 -2.42487 99.3641 52.0396 30.5716 -148.36 143.911 48.686 -42.8718 PRESSAVG: 1755000 40.5125 -32.0263 4.72387 -32.0263 -53.4407 6.90953 4.72388 6.90959 21.2558 GPRESSAVG: 1755000 41.7116 -29.4576 3.68573 -33.21 -55.5367 8.01841 4.93686 6.39864 22.2159 TIMING: 1755000 CPU: 5618.47, 0.00319395/step Wall: 5618.47, 0.00319395/step, 2.87899 hours remaining, 231.371094 MB of memory in use. ENERGY: 1755000 3984.4714 20488.2696 14503.6050 252.0050 -203784.9638 2738.5767 0.0000 0.0000 52117.0014 -109701.0347 299.5171 -161818.0361 -109338.5041 298.5611 -16.9112 8.0279 759450.2758 2.7759 2.7970 PRESSURE: 1755200 -105.162 74.2187 -69.4342 74.2187 257.742 129.036 -69.4338 129.036 282.362 GPRESSURE: 1755200 -65.2124 71.5359 -44.5138 117.716 351.789 136.903 -46.0523 151.086 237.752 PRESSAVG: 1755200 7.18366 6.07669 7.25447 6.0767 -35.817 -10.4789 7.25438 -10.4789 -22.4786 GPRESSAVG: 1755200 7.70838 5.38577 9.00512 6.90513 -36.0223 -12.3752 5.66196 -8.16459 -22.9484 TIMING: 1755200 CPU: 5619.1, 0.00317136/step Wall: 5619.1, 0.00317136/step, 2.85845 hours remaining, 231.371094 MB of memory in use. ENERGY: 1755200 3906.7558 20646.1689 14490.1110 244.1758 -203768.4370 3033.4170 0.0000 0.0000 52050.7476 -109397.0609 299.1364 -161447.8085 -109041.3066 299.3089 144.9808 174.7761 760712.5115 -17.0373 -17.0875 PRESSURE: 1755400 -23.625 -137.003 -80.5562 -137.004 83.53 -122.255 -80.556 -122.256 -11.0926 GPRESSURE: 1755400 -11.4065 -85.7791 -75.1317 -105.702 185.425 -60.4446 -64.7207 -194.906 -40.5039 PRESSAVG: 1755400 13.97 27.4849 -33.8716 27.4849 6.6412 47.6642 -33.8716 47.6642 -1.38189 GPRESSAVG: 1755400 13.9887 25.4959 -34.3123 27.9434 6.6797 47.5816 -31.4315 45.356 -1.30633 TIMING: 1755400 CPU: 5619.74, 0.00318092/step Wall: 5619.74, 0.00318092/step, 2.86689 hours remaining, 231.371094 MB of memory in use. ENERGY: 1755400 4012.4125 20497.8107 14515.7929 251.9185 -203399.1932 2679.6223 0.0000 0.0000 51744.0975 -109697.5387 297.3740 -161441.6362 -109336.5034 299.4361 16.2708 44.5050 760821.0104 6.4098 6.4540 PRESSURE: 1755600 -119.591 -148.1 -114.547 -148.1 122.208 117.537 -114.547 117.536 10.941 GPRESSURE: 1755600 -104.377 -148.795 -49.8327 -118.992 199.1 117.733 -111.192 -7.73445 -13.6346 PRESSAVG: 1755600 -36.9761 34.5153 -33.4558 34.5153 1.79678 39.5586 -33.4559 39.5587 19.2716 GPRESSAVG: 1755600 -37.0278 34.3724 -35.2628 34.6409 2.29368 40.7017 -36.8562 38.3765 18.2216 TIMING: 1755600 CPU: 5620.38, 0.00318152/step Wall: 5620.38, 0.00318152/step, 2.86725 hours remaining, 231.371094 MB of memory in use. ENERGY: 1755600 3989.1356 20705.3743 14405.5459 226.7418 -203106.8672 2247.2243 0.0000 0.0000 51956.0638 -109576.7815 298.5922 -161532.8453 -109238.4693 299.0875 4.5193 27.0294 758707.2854 -5.3026 -5.5042 PRESSURE: 1755800 -146.909 136.577 199.754 136.577 -104.466 -116.507 199.754 -116.509 -130.651 GPRESSURE: 1755800 -91.7927 44.7508 187.158 -2.76428 -54.379 -102.119 68.723 -3.49619 -141.34 PRESSAVG: 1755800 -4.92782 -22.8603 9.81023 -22.8603 34.0551 -13.7456 9.81024 -13.7456 6.16758 GPRESSAVG: 1755800 -6.44362 -21.2534 10.2282 -23.9298 34.8045 -14.8454 10.7811 -12.0602 6.98572 TIMING: 1755800 CPU: 5621.02, 0.00319512/step Wall: 5621.02, 0.00319512/step, 2.87934 hours remaining, 231.371094 MB of memory in use. ENERGY: 1755800 3923.4621 20607.9980 14558.0354 218.7461 -203211.5500 2407.0199 0.0000 0.0000 52084.3463 -109411.9422 299.3295 -161496.2885 -109040.9419 299.5815 -127.3418 -95.8371 761928.0573 11.7650 11.7822 PRESSURE: 1756000 16.4346 59.716 97.485 59.7174 209.478 -235.322 97.4853 -235.323 -173.863 GPRESSURE: 1756000 17.414 150.05 38.7979 -30.3912 295.13 -194.341 -3.71134 -226.551 -186.995 PRESSAVG: 1756000 -6.51418 -25.3199 21.7182 -25.3199 28.8906 -6.68972 21.7181 -6.68968 -24.7736 GPRESSAVG: 1756000 -5.43679 -26.3146 22.491 -26.3045 27.88 -6.10589 20.8932 -5.1135 -25.2718 TIMING: 1756000 CPU: 5621.65, 0.00319197/step Wall: 5621.65, 0.00319197/step, 2.87632 hours remaining, 231.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1756000 3978.8788 20408.3316 14509.9409 249.1338 -203436.0014 2685.3326 0.0000 0.0000 52391.2942 -109213.0894 301.0935 -161604.3836 -108838.4551 300.0976 17.3496 41.8500 760904.6369 -0.7991 -0.9428 PRESSURE: 1756200 7.23451 -212.51 -187.649 -212.511 -77.6894 -207.552 -187.65 -207.554 -324.887 GPRESSURE: 1756200 -9.71366 -206.754 -196.135 -166.783 14.5723 -108.625 -218.843 -139.861 -318.079 PRESSAVG: 1756200 -34.0918 -71.8961 -65.0623 -71.8962 -34.9066 -11.7699 -65.0623 -11.7699 -5.6934 GPRESSAVG: 1756200 -35.3602 -72.0873 -65.8637 -69.7078 -35.0068 -11.9934 -63.1722 -13.0386 -4.239 TIMING: 1756200 CPU: 5622.29, 0.00317686/step Wall: 5622.29, 0.00317686/step, 2.86253 hours remaining, 231.371094 MB of memory in use. ENERGY: 1756200 4015.1325 20443.2402 14515.8612 224.9956 -203333.2920 2412.2450 0.0000 0.0000 52428.7614 -109293.0561 301.3088 -161721.8175 -108916.4665 300.0287 -131.7808 -104.4067 760212.9555 -24.8973 -24.8686 LDB: ============= START OF LOAD BALANCING ============== 5634.71 LDB: ============== END OF LOAD BALANCING =============== 5634.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5634.71 LDB: ============= START OF LOAD BALANCING ============== 5635.04 LDB: Largest compute 7047 load 0.034446 is 17.6% of average load 0.195306 LDB: Average compute 0.004408 is 2.3% of average load 0.195306 LDB: TIME 5635.04 LOAD: AVG 0.195306 MAX 0.213147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.359 MB LDB: TIME 5635.04 LOAD: AVG 0.195306 MAX 0.213147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: TIME 5635.04 LOAD: AVG 0.195306 MAX 0.213147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.457 MB LDB: ============== END OF LOAD BALANCING =============== 5635.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5635.05 PRESSURE: 1756400 -81.8176 -79.6901 67.7656 -79.6906 263.61 10.9541 67.7653 10.9535 -55.7712 GPRESSURE: 1756400 -86.2254 26.2989 59.9349 27.0816 294.871 -0.771848 28.7583 -101.19 12.2213 PRESSAVG: 1756400 -16.0867 13.6089 15.357 13.609 40.0282 -25.701 15.3569 -25.7009 19.9433 GPRESSAVG: 1756400 -14.6161 14.0054 15.0426 13.1631 39.1414 -25.8678 14.7961 -28.963 19.2652 TIMING: 1756400 CPU: 5622.94, 0.00326294/step Wall: 5622.94, 0.00326294/step, 2.93991 hours remaining, 232.839844 MB of memory in use. ENERGY: 1756400 4011.8737 20453.3672 14454.9225 236.1415 -203201.6046 2425.0722 0.0000 0.0000 52355.0656 -109265.1620 300.8853 -161620.2276 -108901.0492 300.3111 42.0070 73.6222 760872.5510 14.6283 14.5969 PRESSURE: 1756600 -110.406 -55.1984 -136.574 -55.1978 -260.306 -26.44 -136.573 -26.4397 -211.411 GPRESSURE: 1756600 -174.222 -31.1267 -118.024 -158.388 -179.939 20.3327 -169.143 249.95 -147.75 PRESSAVG: 1756600 -61.4809 11.3902 -27.6268 11.3902 -40.5114 24.6493 -27.6268 24.6494 -0.74041 GPRESSAVG: 1756600 -61.5181 10.4439 -26.3317 10.99 -39.6021 24.8913 -26.2331 27.6807 -1.36005 TIMING: 1756600 CPU: 5623.58, 0.00318585/step Wall: 5623.58, 0.00318585/step, 2.87027 hours remaining, 233.039062 MB of memory in use. ENERGY: 1756600 4044.7488 20585.0856 14595.5419 239.8663 -203356.8934 2625.3011 0.0000 0.0000 51993.6361 -109272.7135 298.8081 -161266.3496 -108915.7667 299.6580 -194.0409 -167.3034 762312.0447 -34.2443 -34.1601 PRESSURE: 1756800 -272.639 -124.062 110.276 -124.062 -60.3328 -101.122 110.276 -101.122 -360.881 GPRESSURE: 1756800 -202.994 -77.3688 135.381 -111.866 -29.059 -115.758 63.6664 9.33557 -368.146 PRESSAVG: 1756800 75.1925 -22.865 61.0394 -22.865 -70.6342 44.0822 61.0394 44.0821 9.8812 GPRESSAVG: 1756800 74.4413 -22.3354 60.4152 -23.8782 -70.1365 42.5712 59.3486 44.7974 9.76844 TIMING: 1756800 CPU: 5624.21, 0.00317178/step Wall: 5624.21, 0.00317178/step, 2.85742 hours remaining, 233.039062 MB of memory in use. ENERGY: 1756800 4014.5336 20674.3232 14452.0647 250.2808 -203229.3907 2360.0246 0.0000 0.0000 52112.2437 -109365.9201 299.4898 -161478.1638 -108993.7078 299.5226 -231.2839 -200.0664 762513.2739 4.8132 4.6911 PRESSURE: 1757000 -175.425 99.7219 -69.1 99.7219 33.1791 63.1476 -69.0981 63.1479 -278.508 GPRESSURE: 1757000 -146.012 62.75 -71.5058 -1.24048 47.3862 99.1584 -48.6394 -133.518 -246.681 PRESSAVG: 1757000 82.2234 -52.7723 77.5973 -52.7724 -110.523 23.6154 77.5973 23.6153 -6.64674 GPRESSAVG: 1757000 83.2447 -53.7099 77.2939 -53.0792 -111.852 25.475 76.5077 23.9999 -6.87931 TIMING: 1757000 CPU: 5624.85, 0.00318636/step Wall: 5624.85, 0.00318636/step, 2.87038 hours remaining, 233.039062 MB of memory in use. ENERGY: 1757000 3999.6997 20511.3744 14466.4364 225.4040 -203563.9599 2734.6509 0.0000 0.0000 52276.7799 -109349.6146 300.4354 -161626.3945 -108981.4189 300.0535 -140.2511 -115.1023 760681.7320 -11.6489 -11.8288 PRESSURE: 1757200 -486.961 -45.7927 189.481 -45.7925 -299.322 130.409 189.481 130.409 -355.926 GPRESSURE: 1757200 -412.678 -74.0191 170.422 24.6467 -348 175.446 125.067 0.277668 -312.197 PRESSAVG: 1757200 65.9731 -32.4105 1.55398 -32.4105 -58.6946 34.3065 1.55397 34.3066 -25.3765 GPRESSAVG: 1757200 64.7673 -30.5572 1.06646 -32.3897 -58.2952 33.0216 1.93498 33.4312 -24.6958 TIMING: 1757200 CPU: 5625.49, 0.00318606/step Wall: 5625.49, 0.00318606/step, 2.86994 hours remaining, 233.039062 MB of memory in use. ENERGY: 1757200 3984.2728 20633.2480 14538.6947 255.8789 -203639.8790 2659.9473 0.0000 0.0000 52175.9185 -109391.9189 299.8557 -161567.8373 -109027.5869 300.1171 -380.7366 -357.6248 761695.5112 -6.0327 -6.0746 PRESSURE: 1757400 230.876 213.119 11.0988 213.119 159.146 76.6165 11.0992 76.6161 404.958 GPRESSURE: 1757400 245.163 237.656 -6.06357 88.7272 200.669 14.7737 13.6301 146.905 440.916 PRESSAVG: 1757400 29.5464 12.498 -11.5107 12.498 -43.6405 91.3057 -11.5107 91.3057 31.2991 GPRESSAVG: 1757400 30.6211 11.5423 -12.0773 13.2519 -44.4703 90.7444 -10.1791 90.6163 31.2688 TIMING: 1757400 CPU: 5626.12, 0.00317166/step Wall: 5626.12, 0.00317166/step, 2.85678 hours remaining, 233.039062 MB of memory in use. ENERGY: 1757400 3945.1557 20425.5573 14494.1327 242.2395 -203892.1295 2804.5734 0.0000 0.0000 52607.6392 -109372.8318 302.3368 -161980.4710 -108999.1326 299.9658 264.9932 295.5823 759234.4933 5.7350 5.8065 PRESSURE: 1757600 35.6039 49.3049 7.04558 49.3055 -406.653 -68.5967 7.04684 -68.5972 385.079 GPRESSURE: 1757600 -52.6658 54.3813 104.923 -94.7324 -251.73 -47.8091 -33.9191 -96.2913 419.931 PRESSAVG: 1757600 50.4233 -19.4919 22.1736 -19.4918 -2.68679 53.9032 22.1736 53.9032 -12.986 GPRESSAVG: 1757600 47.8802 -18.592 22.6949 -22.1297 -0.716189 56.4933 23.6428 54.0268 -11.8415 TIMING: 1757600 CPU: 5626.76, 0.00316496/step Wall: 5626.76, 0.00316496/step, 2.85057 hours remaining, 233.039062 MB of memory in use. ENERGY: 1757600 3880.6929 20524.1589 14490.6070 256.2859 -203316.0047 2486.7207 0.0000 0.0000 52157.4404 -109520.0990 299.7495 -161677.5394 -109156.6571 300.0678 4.6769 38.5118 761187.5932 11.5835 11.7742 PRESSURE: 1757800 -291.25 -175.112 -92.6165 -175.112 -173.636 -37.926 -92.6168 -37.9276 -106.468 GPRESSURE: 1757800 -271.374 -158.343 -33.4848 -154.675 -112.457 -42.2974 -94.4778 12.5549 -87.4346 PRESSAVG: 1757800 13.0529 -42.0871 39.5446 -42.0871 0.145256 -2.02193 39.5446 -2.02207 14.6078 GPRESSAVG: 1757800 15.0372 -42.7793 41.3034 -38.9323 -1.39535 -3.57108 36.523 -0.701233 14.4713 TIMING: 1757800 CPU: 5627.39, 0.0031526/step Wall: 5627.39, 0.0031526/step, 2.83927 hours remaining, 233.039062 MB of memory in use. ENERGY: 1757800 3960.4844 20666.9942 14526.9885 251.7349 -203322.1021 2303.2887 0.0000 0.0000 52253.5846 -109359.0268 300.3021 -161612.6114 -108990.6395 299.5717 -190.4512 -157.0885 761317.5873 9.2687 9.3711 PRESSURE: 1758000 210.933 115.384 141.196 115.383 248.054 187.317 141.196 187.316 -175.542 GPRESSURE: 1758000 180.209 -72.6686 55.9625 49.5399 237.727 206.051 88.5555 152.347 -52.5673 PRESSAVG: 1758000 38.6188 -7.48131 40.1697 -7.48132 -29.4199 -3.76187 40.1696 -3.76186 21.6187 GPRESSAVG: 1758000 38.5204 -9.58483 40.2908 -9.48057 -29.4794 -2.56466 38.9268 -3.54995 21.7008 TIMING: 1758000 CPU: 5628.02, 0.0031765/step Wall: 5628.02, 0.0031765/step, 2.86061 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1758000 3984.3973 20589.0868 14454.9139 236.8903 -203414.3153 2586.3636 0.0000 0.0000 52306.9845 -109255.6787 300.6090 -161562.6632 -108891.3107 299.8626 94.4818 121.7895 758442.4522 10.2725 10.2473 PRESSURE: 1758200 -321.257 144.019 28.4089 144.019 -517.449 106.374 28.4099 106.375 -339.744 GPRESSURE: 1758200 -292.55 68.664 -42.0318 206.158 -472.631 124.745 39.0727 163.196 -341.775 PRESSAVG: 1758200 43.2873 -27.3883 0.291114 -27.3883 -20.4153 8.8183 0.291124 8.81831 24.0112 GPRESSAVG: 1758200 42.9873 -26.1993 -1.0122 -26.223 -19.59 8.82238 0.711338 6.46076 23.1974 TIMING: 1758200 CPU: 5628.65, 0.00315072/step Wall: 5628.65, 0.00315072/step, 2.83722 hours remaining, 233.039062 MB of memory in use. ENERGY: 1758200 4025.9621 20567.0414 14553.1105 260.3291 -203220.7134 2259.5880 0.0000 0.0000 52308.8746 -109245.8077 300.6198 -161554.6823 -108882.3828 300.0956 -392.8165 -368.9852 761013.5878 15.6278 15.5316 PRESSURE: 1758400 -122.943 -68.2031 -11.4007 -68.2028 -22.209 -24.8331 -11.4003 -24.8347 369.696 GPRESSURE: 1758400 -30.1509 -88.0556 67.6874 -68.0073 33.1303 -102.107 -175.492 53.0299 328.01 PRESSAVG: 1758400 20.2395 38.0412 29.6164 38.0412 -9.25415 8.53935 29.6165 8.53934 -24.325 GPRESSAVG: 1758400 19.8411 37.5965 29.4813 36.9456 -10.5506 7.9881 31.0734 9.27452 -22.7092 TIMING: 1758400 CPU: 5629.28, 0.00313668/step Wall: 5629.28, 0.00313667/step, 2.8244 hours remaining, 233.039062 MB of memory in use. ENERGY: 1758400 4045.0887 20609.2304 14596.5418 233.9491 -203650.0291 2652.4279 0.0000 0.0000 52342.6595 -109170.1316 300.8140 -161512.7911 -108805.8935 299.8814 74.8482 110.3297 759464.2795 -4.4465 -4.4729 PRESSURE: 1758600 -214.151 36.9998 5.87201 36.9997 88.7832 181.994 5.87244 181.994 -305.011 GPRESSURE: 1758600 -132.78 -2.05369 -22.4122 -32.2134 63.2838 185.331 24.4963 201.607 -280.618 PRESSAVG: 1758600 -15.0281 27.4542 -13.4454 27.4542 20.2803 23.6989 -13.4454 23.699 -5.9668 GPRESSAVG: 1758600 -13.3145 29.4634 -12.3242 26.7061 19.849 24.5721 -13.3728 24.2149 -7.35139 TIMING: 1758600 CPU: 5629.91, 0.00313987/step Wall: 5629.91, 0.00313988/step, 2.82711 hours remaining, 233.039062 MB of memory in use. ENERGY: 1758600 4049.5122 20630.3892 14574.1701 247.8308 -203123.2918 2362.2876 0.0000 0.0000 52005.8553 -109253.2465 298.8784 -161259.1018 -108894.2603 300.0209 -143.4596 -116.7045 760844.7286 -0.2382 -0.2723 PRESSURE: 1758800 193.438 -153.627 109.491 -153.626 -99.7779 -119.808 109.491 -119.81 444.682 GPRESSURE: 1758800 221.563 -45.8122 21.6956 -178.39 -129.401 -60.7047 18.7841 -151.649 540.513 PRESSAVG: 1758800 14.5687 -16.0691 -30.6638 -16.0691 -5.02418 0.694175 -30.6638 0.694148 10.7606 GPRESSAVG: 1758800 12.804 -17.4157 -32.0072 -12.185 -3.71773 1.43477 -30.4512 1.84588 11.0129 TIMING: 1758800 CPU: 5630.54, 0.00316005/step Wall: 5630.54, 0.00316005/step, 2.8451 hours remaining, 233.039062 MB of memory in use. ENERGY: 1758800 4028.0149 20675.9116 14573.3307 242.7750 -203546.3039 2712.8366 0.0000 0.0000 52001.3562 -109312.0789 298.8525 -161313.4351 -108947.8691 299.5250 179.4473 210.8918 760791.4944 6.7684 6.6997 PRESSURE: 1759000 144.82 90.1571 -80.4928 90.1573 44.0026 355.608 -80.4924 355.607 151.613 GPRESSURE: 1759000 232.542 97.0368 -86.0595 120.533 61.2266 301.596 -37.032 291.668 138.006 PRESSAVG: 1759000 41.3918 0.206403 13.6385 0.206392 -77.1999 16.4649 13.6385 16.4649 8.60624 GPRESSAVG: 1759000 43.2857 0.881331 13.5004 -3.22716 -78.2999 15.2483 13.7814 14.9177 7.92058 TIMING: 1759000 CPU: 5631.17, 0.00314538/step Wall: 5631.17, 0.00314538/step, 2.83172 hours remaining, 233.039062 MB of memory in use. ENERGY: 1759000 4031.4390 20612.5456 14550.5132 262.4446 -203728.4812 2738.6190 0.0000 0.0000 52011.7406 -109521.1792 298.9122 -161532.9198 -109163.5779 299.2397 113.4786 143.9248 760475.2912 -9.0673 -9.0312 PRESSURE: 1759200 -283.623 -96.0507 222.978 -96.0505 -415.014 -42.2546 222.978 -42.2555 -446.16 GPRESSURE: 1759200 -336.315 -59.6058 114.007 -55.5436 -335.586 -81.8765 176.369 36.0661 -396.714 PRESSAVG: 1759200 43.4243 -2.52648 19.7429 -2.52651 12.7397 -23.2222 19.7429 -23.2222 13.986 GPRESSAVG: 1759200 41.0952 -2.59166 20.852 -0.780834 14.2842 -23.2128 19.0881 -23.8499 14.604 TIMING: 1759200 CPU: 5631.8, 0.00315318/step Wall: 5631.8, 0.00315318/step, 2.83857 hours remaining, 233.039062 MB of memory in use. ENERGY: 1759200 3978.1386 20576.5990 14523.0279 262.6230 -203346.1733 2276.0012 0.0000 0.0000 52116.5342 -109613.2492 299.5144 -161729.7835 -109253.9449 299.5403 -381.5988 -356.2052 761898.8512 23.3833 23.3278 PRESSURE: 1759400 -301.031 11.3105 -151.667 11.3094 -56.5511 63.8299 -151.668 63.8302 503.556 GPRESSURE: 1759400 -214.479 32.7299 -82.0059 15.2681 -30.9057 59.5131 -11.5659 95.627 464.893 PRESSAVG: 1759400 -9.94781 21.9218 -28.7391 21.9218 25.2489 -33.5255 -28.7392 -33.5256 12.5398 GPRESSAVG: 1759400 -8.21745 21.4532 -30.201 20.9973 25.1583 -32.0389 -28.5852 -33.1896 11.1216 TIMING: 1759400 CPU: 5632.44, 0.00319023/step Wall: 5632.44, 0.00319023/step, 2.87174 hours remaining, 233.039062 MB of memory in use. ENERGY: 1759400 3984.3206 20536.8406 14508.0268 267.3071 -203487.0297 2692.8038 0.0000 0.0000 51889.5352 -109608.1955 298.2099 -161497.7307 -109257.5645 299.0926 48.6582 73.1695 761719.1507 9.2803 9.3542 PRESSURE: 1759600 -82.2962 6.07209 -228.623 6.0722 -134.342 25.7904 -228.622 25.7904 -295.919 GPRESSURE: 1759600 -62.0147 81.567 -173.402 -51.5862 -151.839 -46.2075 -352.622 78.4754 -215.561 PRESSAVG: 1759600 9.8689 3.87381 -68.0709 3.87387 -9.83999 -62.9229 -68.0709 -62.9229 -12.3731 GPRESSAVG: 1759600 9.34376 4.32267 -68.0614 3.3644 -10.9334 -63.855 -66.7192 -66.081 -10.6665 TIMING: 1759600 CPU: 5633.08, 0.00319805/step Wall: 5633.08, 0.00319805/step, 2.8786 hours remaining, 233.039062 MB of memory in use. ENERGY: 1759600 4028.5170 20448.0032 14616.7146 251.4653 -203322.6708 2280.2732 0.0000 0.0000 51996.8755 -109700.8221 298.8268 -161697.6975 -109336.6954 298.7752 -170.8524 -143.1384 761154.1635 -4.1147 -4.0854 PRESSURE: 1759800 73.0045 74.7585 157.463 74.7575 74.5061 84.4471 157.463 84.4473 343.614 GPRESSURE: 1759800 140.379 154.854 77.3972 8.45169 127.92 111.32 40.228 98.9563 287.315 PRESSAVG: 1759800 86.593 -38.7733 -52.0411 -38.7733 -55.3746 -34.8369 -52.0411 -34.8368 13.3625 GPRESSAVG: 1759800 86.8752 -38.1339 -50.7527 -39.5492 -55.6982 -35.8013 -55.0919 -31.2132 13.0395 TIMING: 1759800 CPU: 5633.72, 0.00320406/step Wall: 5633.72, 0.00320406/step, 2.88383 hours remaining, 233.039062 MB of memory in use. ENERGY: 1759800 3956.1002 20623.6334 14531.5971 223.7021 -203840.1604 2708.3667 0.0000 0.0000 52072.2419 -109724.5190 299.2599 -161796.7609 -109360.0110 299.2209 163.7081 185.2047 759267.1607 14.8603 14.7388 PRESSURE: 1760000 36.954 -278.799 -2.06338 -278.8 137.892 31.7719 -2.06415 31.7716 -41.3131 GPRESSURE: 1760000 62.0702 -357.789 27.1072 -219.41 160.997 67.809 38.5359 14.9836 -3.1792 PRESSAVG: 1760000 30.6019 -25.7044 -29.9852 -25.7044 -10.5549 -43.0734 -29.9852 -43.0734 -3.50195 GPRESSAVG: 1760000 28.9199 -26.8714 -30.5103 -21.9582 -10.6744 -42.8044 -28.2953 -44.4065 -2.19677 TIMING: 1760000 CPU: 5634.36, 0.00319171/step Wall: 5634.36, 0.00319171/step, 2.87254 hours remaining, 233.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1760000 3906.0976 20598.5747 14534.8247 253.0362 -203879.2357 2970.4408 0.0000 0.0000 52026.9471 -109589.3147 298.9996 -161616.2618 -109229.5907 299.1234 44.5108 73.2960 759368.0194 5.5150 5.3496 PRESSURE: 1760200 148.549 30.5702 208.779 30.5701 1.36988 -157.047 208.779 -157.047 28.1129 GPRESSURE: 1760200 179.722 -63.1048 204.93 -7.28265 39.2008 -118.618 135.147 -182.404 46.1882 PRESSAVG: 1760200 -17.7615 -113.12 1.93778 -113.12 37.1406 -16.2177 1.93782 -16.2178 -1.50797 GPRESSAVG: 1760200 -16.31 -111.326 2.08852 -114.028 37.8346 -15.4801 0.666917 -16.7848 -3.68082 TIMING: 1760200 CPU: 5634.99, 0.00318256/step Wall: 5634.99, 0.00318256/step, 2.86413 hours remaining, 233.039062 MB of memory in use. ENERGY: 1760200 3940.0626 20515.8972 14547.8081 247.4336 -203602.7753 2594.4742 0.0000 0.0000 52243.8695 -109513.2299 300.2462 -161757.0994 -109145.7271 299.0667 59.3441 88.3702 759747.7107 5.9570 5.9479 LDB: ============= START OF LOAD BALANCING ============== 5647.41 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5647.41 LDB: =============== DONE WITH MIGRATION ================ 5647.41 LDB: ============= START OF LOAD BALANCING ============== 5647.73 LDB: Largest compute 7074 load 0.034039 is 17.4% of average load 0.195407 LDB: Average compute 0.004408 is 2.3% of average load 0.195407 LDB: TIME 5647.73 LOAD: AVG 0.195407 MAX 0.21275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.289 MB LDB: TIME 5647.73 LOAD: AVG 0.195407 MAX 0.21275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.289 MB LDB: TIME 5647.73 LOAD: AVG 0.195407 MAX 0.21275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.289 MB LDB: ============== END OF LOAD BALANCING =============== 5647.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5647.74 PRESSURE: 1760400 312.107 17.9834 -106.16 17.9834 35.135 -121.706 -106.16 -121.705 -148.83 GPRESSURE: 1760400 330.675 9.99513 -136.299 10.3077 38.8687 -92.6806 -204.707 -179.081 -89.627 PRESSAVG: 1760400 -16.8087 -70.8498 -14.2257 -70.8498 38.9005 -33.0711 -14.2257 -33.0711 2.72929 GPRESSAVG: 1760400 -19.1562 -70.5482 -13.821 -72.7926 39.7955 -33.2937 -12.6151 -30.8539 3.90818 TIMING: 1760400 CPU: 5635.63, 0.00321278/step Wall: 5635.63, 0.00321278/step, 2.89115 hours remaining, 231.414062 MB of memory in use. ENERGY: 1760400 3944.0612 20546.0557 14527.7647 259.5276 -203555.0076 2661.4326 0.0000 0.0000 51968.4922 -109647.6735 298.6636 -161616.1657 -109287.2842 299.4123 66.1371 93.3056 760881.2634 8.2737 8.1825 PRESSURE: 1760600 2.8536 -65.7238 265.783 -65.7241 80.8633 115.471 265.783 115.471 339.313 GPRESSURE: 1760600 -18.3424 -167.571 365.689 -77.1024 158.386 140.628 214.204 149.275 380.344 PRESSAVG: 1760600 -4.58736 -45.9578 16.7767 -45.9578 -27.2089 -7.32771 16.7767 -7.32773 0.307984 GPRESSAVG: 1760600 -3.5157 -47.1502 17.346 -44.4856 -27.3954 -7.15304 15.3152 -8.47323 -0.753327 TIMING: 1760600 CPU: 5636.27, 0.0031666/step Wall: 5636.27, 0.0031666/step, 2.84941 hours remaining, 231.414062 MB of memory in use. ENERGY: 1760600 4007.8861 20501.2436 14522.6531 273.6039 -203494.2215 2656.2815 0.0000 0.0000 51810.7306 -109721.8227 297.7570 -161532.5533 -109360.2748 298.9353 141.0100 173.4627 761291.4515 -10.4961 -10.5548 PRESSURE: 1760800 66.9808 -203.623 -95.9175 -203.624 215.051 -177.754 -95.9182 -177.754 -126.336 GPRESSURE: 1760800 90.9076 -304.602 -186.941 -161.625 281.444 -247.6 -13.2039 -92.0096 -123.031 PRESSAVG: 1760800 -6.52007 -61.3739 16.5994 -61.3739 48.5723 -4.19279 16.5994 -4.19278 -12.9646 GPRESSAVG: 1760800 -5.72099 -59.1585 15.2066 -63.7809 48.2911 -4.6652 16.3055 -5.09826 -13.0459 TIMING: 1760800 CPU: 5636.9, 0.00315086/step Wall: 5636.9, 0.00315086/step, 2.83507 hours remaining, 231.414062 MB of memory in use. ENERGY: 1760800 4006.5749 20384.2111 14556.6309 276.3163 -203738.5170 2693.5095 0.0000 0.0000 52083.3914 -109737.8829 299.3240 -161821.2743 -109365.7677 298.5016 51.8985 83.1069 760354.5298 9.6959 9.8414 PRESSURE: 1761000 -226.067 131.299 245.746 131.299 -411.914 52.4688 245.745 52.4691 -422.452 GPRESSURE: 1761000 -246.129 26.2332 322.499 156.851 -384.345 67.1039 236.053 74.5305 -350.016 PRESSAVG: 1761000 34.9633 -38.3461 23.646 -38.346 -32.3134 -32.9788 23.6461 -32.9788 23.2468 GPRESSAVG: 1761000 35.3403 -39.9748 24.6047 -36.2286 -32.4745 -32.0621 24.2335 -31.2319 22.8373 TIMING: 1761000 CPU: 5637.53, 0.00316142/step Wall: 5637.53, 0.00316142/step, 2.8444 hours remaining, 231.414062 MB of memory in use. ENERGY: 1761000 4056.3989 20541.5291 14555.0813 243.9527 -203535.1136 2584.7638 0.0000 0.0000 51979.1865 -109574.2013 298.7251 -161553.3878 -109212.4195 298.9556 -353.4775 -326.8302 762041.0394 8.6323 8.5677 PRESSURE: 1761200 66.6013 -199.209 -135.467 -199.209 -175.325 340.99 -135.466 340.99 -93.3071 GPRESSURE: 1761200 33.0458 -137.812 -273.067 -184.856 -122.854 327.077 -114.351 180.623 -34.1822 PRESSAVG: 1761200 47.025 -2.26756 43.8262 -2.26751 -69.708 -12.0328 43.8262 -12.0329 12.0749 GPRESSAVG: 1761200 45.3018 -3.65647 43.4373 -0.915949 -68.1589 -11.8734 45.9934 -14.8863 12.0847 TIMING: 1761200 CPU: 5638.16, 0.00315562/step Wall: 5638.16, 0.00315562/step, 2.83901 hours remaining, 231.414062 MB of memory in use. ENERGY: 1761200 3997.6129 20527.4571 14460.5583 239.0256 -203594.2013 2628.5932 0.0000 0.0000 52054.1090 -109686.8453 299.1557 -161740.9543 -109316.3411 298.8995 -67.3435 -41.3300 761290.3892 -3.5360 -3.5908 PRESSURE: 1761400 -298.829 -160.831 -39.8425 -160.831 -160.156 -12.1907 -39.8414 -12.1897 291.569 GPRESSURE: 1761400 -191.765 -191.35 -24.0824 -231.738 -215.899 26.1459 -90.2912 104.771 328.221 PRESSAVG: 1761400 57.8927 0.528703 -22.0785 0.528719 -35.0878 40.3814 -22.0786 40.3814 -0.796823 GPRESSAVG: 1761400 59.7952 0.347166 -23.7999 -0.931402 -38.1922 39.8144 -23.9833 43.1025 0.151851 TIMING: 1761400 CPU: 5638.79, 0.00314268/step Wall: 5638.79, 0.00314268/step, 2.82719 hours remaining, 231.414062 MB of memory in use. ENERGY: 1761400 4080.3312 20501.4753 14574.6989 250.4126 -203524.1852 2604.6276 0.0000 0.0000 51914.4478 -109598.1918 298.3530 -161512.6397 -109239.8483 299.0875 -55.8050 -26.4811 761282.7291 7.3361 7.2516 PRESSURE: 1761600 -56.0307 108.229 94.4238 108.228 -284.004 -185.271 94.4227 -185.27 -124.06 GPRESSURE: 1761600 -133 165.131 41.1538 50.6365 -115.888 -45.8479 3.66123 -224.723 -112.613 PRESSAVG: 1761600 70.8454 -30.4588 0.370869 -30.4588 -29.2778 23.1244 0.370866 23.1244 20.5151 GPRESSAVG: 1761600 70.3252 -29.5396 2.37815 -29.6834 -29.6665 23.6748 2.13269 22.7797 21.0599 TIMING: 1761600 CPU: 5639.42, 0.00317545/step Wall: 5639.42, 0.00317545/step, 2.85649 hours remaining, 231.414062 MB of memory in use. ENERGY: 1761600 3977.7123 20442.4570 14418.8903 245.3746 -203231.5261 2494.1931 0.0000 0.0000 52037.7355 -109615.1633 299.0616 -161652.8988 -109249.7003 299.0147 -154.6982 -120.5005 762982.4727 20.6942 20.5729 PRESSURE: 1761800 -335.417 -182.229 -54.6791 -182.229 -278.728 195.052 -54.6786 195.053 -44.9955 GPRESSURE: 1761800 -211.412 -213.974 -50.8137 -106.686 -262.896 156.828 -23.1071 54.2227 -102.097 PRESSAVG: 1761800 15.1244 13.0791 4.5617 13.079 46.9545 14.4494 4.56171 14.4493 2.84356 GPRESSAVG: 1761800 15.616 10.7517 4.38644 12.8768 48.1679 12.5779 4.76971 13.7723 1.25899 TIMING: 1761800 CPU: 5640.06, 0.00316323/step Wall: 5640.06, 0.00316323/step, 2.84532 hours remaining, 231.414062 MB of memory in use. ENERGY: 1761800 3961.4103 20533.1595 14523.0301 227.5020 -202772.3486 2104.2404 0.0000 0.0000 52067.7793 -109355.2270 299.2342 -161423.0062 -108978.0729 298.9203 -219.7133 -192.1350 760556.4773 21.6408 21.6810 PRESSURE: 1762000 -139.903 132.384 -134.614 132.384 -3.37792 127.925 -134.614 127.926 -237.428 GPRESSURE: 1762000 -112.268 95.6233 -165.968 162.747 -66.5352 40.1199 -12.3477 203.468 -117.016 PRESSAVG: 1762000 7.20279 -22.0082 5.38651 -22.0082 -35.8113 13.6599 5.38653 13.6599 15.7021 GPRESSAVG: 1762000 7.18913 -19.0717 6.71782 -23.7693 -35.7554 15.8302 4.51884 13.8462 15.7901 TIMING: 1762000 CPU: 5640.69, 0.00316049/step Wall: 5640.69, 0.00316049/step, 2.84268 hours remaining, 231.414062 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: 1762000 3975.4979 20537.7112 14500.6022 255.4034 -202595.9990 2040.9453 0.0000 0.0000 52005.1132 -109280.7257 298.8741 -161285.8389 -108906.7892 299.5699 -126.9031 -98.6067 760869.8792 -4.3021 -4.2587 PRESSURE: 1762200 -159.584 -104.66 19.0071 -104.66 -223.851 -27.2288 19.0069 -27.228 249.189 GPRESSURE: 1762200 -154.868 -5.57982 -51.9528 -142.46 -105.82 -12.5092 -21.7102 -134.085 218.174 PRESSAVG: 1762200 42.4411 -5.25475 27.913 -5.25478 -57.8078 -20.7664 27.913 -20.7664 -21.3236 GPRESSAVG: 1762200 42.0702 -5.92816 26.587 -3.52241 -58.7472 -22.7311 26.799 -19.293 -20.6845 TIMING: 1762200 CPU: 5641.32, 0.00316492/step Wall: 5641.32, 0.00316492/step, 2.84649 hours remaining, 231.414062 MB of memory in use. ENERGY: 1762200 3941.1487 20555.8619 14609.4358 246.4602 -202947.6289 2186.8226 0.0000 0.0000 52129.3223 -109278.5774 299.5879 -161407.8996 -108922.8571 299.7098 -44.7486 -14.1716 761007.6241 -12.2301 -12.4538 PRESSURE: 1762400 -458.895 240.983 -56.1406 240.982 124.93 12.795 -56.1405 12.7962 164.456 GPRESSURE: 1762400 -398.848 239.77 -50.0628 93.5119 164.058 -18.659 -128.082 -108.831 154.483 PRESSAVG: 1762400 -17.7134 -9.49883 -24.7965 -9.4988 38.1183 1.52916 -24.7965 1.52919 -1.25903 GPRESSAVG: 1762400 -17.7384 -10.078 -25.511 -11.8664 39.4646 2.9116 -26.0983 0.712502 -2.01494 TIMING: 1762400 CPU: 5641.96, 0.00318432/step Wall: 5641.96, 0.00318432/step, 2.86377 hours remaining, 231.414062 MB of memory in use. ENERGY: 1762400 3984.2755 20510.7140 14457.5453 243.2097 -203208.4974 2422.4377 0.0000 0.0000 52137.5757 -109452.7395 299.6354 -161590.3151 -109098.3714 299.7850 -56.5032 -26.7691 759600.6708 6.3820 6.5704 PRESSURE: 1762600 -194.398 -119.58 74.3808 -119.58 297.679 44.4559 74.3819 44.4555 -6.93352 GPRESSURE: 1762600 -36.9416 -77.1841 183.969 -73.2869 230.424 123.321 37.6423 -89.8771 2.42704 PRESSAVG: 1762600 10.1499 -26.0413 -34.4801 -26.0413 -19.8171 2.6692 -34.4801 2.66921 -6.38807 GPRESSAVG: 1762600 10.3394 -26.6022 -36.1957 -24.2534 -20.4954 2.47635 -33.1896 2.50179 -5.44944 TIMING: 1762600 CPU: 5642.6, 0.00319213/step Wall: 5642.6, 0.00319213/step, 2.87061 hours remaining, 231.414062 MB of memory in use. ENERGY: 1762600 3980.6955 20369.8600 14587.7501 233.6071 -203067.5054 2398.4904 0.0000 0.0000 52147.3015 -109349.8008 299.6913 -161497.1023 -108988.0857 299.5687 32.1157 65.3030 760191.2414 -5.3517 -5.2018 PRESSURE: 1762800 117.461 184.102 -346.33 184.101 -207.312 16.5838 -346.33 16.5841 -37.1528 GPRESSURE: 1762800 140.686 94.5733 -330.976 218.172 -122.561 -3.88871 -257.839 73.5073 -65.0587 PRESSAVG: 1762800 -49.6969 -13.1008 -13.2675 -13.1009 60.4193 6.92433 -13.2675 6.92437 -22.0737 GPRESSAVG: 1762800 -49.1351 -13.49 -10.405 -12.9051 61.2167 6.16198 -13.9869 7.75789 -23.5777 TIMING: 1762800 CPU: 5643.23, 0.00317431/step Wall: 5643.23, 0.00317431/step, 2.85441 hours remaining, 231.414062 MB of memory in use. ENERGY: 1762800 3974.5070 20701.1973 14556.9167 266.7768 -203446.4210 2639.5394 0.0000 0.0000 51785.8693 -109521.6146 297.6141 -161307.4839 -109157.7321 299.4976 -42.3345 -15.6444 760628.6135 -3.7838 -3.8320 PRESSURE: 1763000 -51.9972 -270.914 138.312 -270.914 -103.023 102.432 138.312 102.433 59.2999 GPRESSURE: 1763000 -130.462 -10.8825 130.54 -175.981 52.0643 154.952 106.254 44.8979 71.3408 PRESSAVG: 1763000 40.1116 12.8468 1.01265 12.8468 -39.1377 55.0502 1.01264 55.0503 11.6208 GPRESSAVG: 1763000 39.4841 16.2586 0.726529 10.7083 -38.9674 53.6423 1.05828 55.6143 12.5169 TIMING: 1763000 CPU: 5643.86, 0.00315913/step Wall: 5643.86, 0.00315913/step, 2.84058 hours remaining, 231.414062 MB of memory in use. ENERGY: 1763000 4029.8332 20596.7724 14565.2614 260.5715 -203236.9456 2409.5873 0.0000 0.0000 52129.8303 -109245.0895 299.5909 -161374.9198 -108876.9379 299.6791 -31.9067 -2.3523 761946.5504 4.1982 4.3445 PRESSURE: 1763200 40.5313 -155.044 73.3245 -155.044 -160.222 -242.403 73.3246 -242.403 -323.653 GPRESSURE: 1763200 83.5977 -173.634 -14.8779 -137.562 -223.708 -234.164 112.411 -335.797 -198.99 PRESSAVG: 1763200 -19.7499 -0.85012 13.6765 -0.850109 41.3545 -17.7554 13.6765 -17.7553 15.3729 GPRESSAVG: 1763200 -21.226 -4.27176 13.1039 -1.21493 40.6227 -17.3569 13.904 -19.3367 17.3914 TIMING: 1763200 CPU: 5644.5, 0.00317938/step Wall: 5644.5, 0.00317938/step, 2.85862 hours remaining, 231.414062 MB of memory in use. ENERGY: 1763200 3994.3893 20592.9839 14590.1880 249.8907 -202963.8918 2255.2462 0.0000 0.0000 52017.7450 -109263.4489 298.9467 -161281.1939 -108911.7720 299.6216 -147.7811 -113.0334 760618.0668 12.3258 12.2627 PRESSURE: 1763400 -140.837 55.2312 220.488 55.2306 -264.841 -91.4548 220.487 -91.4547 -148.137 GPRESSURE: 1763400 -128.272 80.938 263.908 153.416 -146.342 -77.7601 257.515 -15.1481 -190.911 PRESSAVG: 1763400 13.0325 19.6531 95.2742 19.6531 -13.2183 24.9336 95.2741 24.9336 -4.54887 GPRESSAVG: 1763400 15.1446 19.8144 94.075 20.8892 -12.8687 24.7513 96.4543 26.4858 -6.53521 TIMING: 1763400 CPU: 5645.14, 0.00318721/step Wall: 5645.14, 0.00318721/step, 2.86548 hours remaining, 231.414062 MB of memory in use. ENERGY: 1763400 3986.2660 20545.3089 14632.0733 244.9060 -203051.8529 2204.4558 0.0000 0.0000 52219.2514 -109219.5915 300.1048 -161438.8429 -108843.7017 300.1281 -184.6049 -155.1751 759654.6395 -1.5782 -1.4198 PRESSURE: 1763600 143.906 -79.2699 -69.6135 -79.2706 131.124 20.4796 -69.6138 20.4809 417.485 GPRESSURE: 1763600 166.482 9.98838 -12.8353 22.9627 128.575 120.006 -76.0575 33.2635 485.653 PRESSAVG: 1763600 23.8535 -14.3518 27.4615 -14.3519 -22.1937 39.3511 27.4615 39.3512 -7.44031 GPRESSAVG: 1763600 22.0124 -13.3689 29.201 -13.7871 -21.6403 39.8507 25.2586 37.642 -6.58878 TIMING: 1763600 CPU: 5645.77, 0.00318612/step Wall: 5645.77, 0.00318612/step, 2.86433 hours remaining, 231.414062 MB of memory in use. ENERGY: 1763600 4018.0566 20478.4941 14540.3476 234.0742 -202960.7555 2423.3311 0.0000 0.0000 52011.6899 -109254.7620 298.9119 -161266.4519 -108904.5040 299.6972 230.8385 260.2368 760108.7353 -1.9268 -2.0723 PRESSURE: 1763800 12.4069 -157.214 57.4596 -157.214 80.1425 36.11 57.4592 36.1113 -88.3952 GPRESSURE: 1763800 147.707 -189.052 60.7329 -187.372 26.1114 23.3663 -26.0888 52.7967 -62.6149 PRESSAVG: 1763800 0.190121 -54.4505 -36.8306 -54.4505 40.7255 8.23465 -36.8305 8.23471 -8.09466 GPRESSAVG: 1763800 0.801812 -55.5361 -36.6472 -53.8591 41.0658 9.68223 -35.2438 9.44995 -8.61546 TIMING: 1763800 CPU: 5646.41, 0.00317304/step Wall: 5646.41, 0.00317304/step, 2.85238 hours remaining, 231.414062 MB of memory in use. ENERGY: 1763800 4050.2454 20389.9314 14506.0892 233.7933 -202923.0617 2398.3427 0.0000 0.0000 52021.6005 -109323.0591 298.9689 -161344.6596 -108967.0488 299.5799 1.3847 37.0678 761237.4605 10.9403 11.0840 PRESSURE: 1764000 -186.452 -10.8453 -192.578 -10.8448 -407.509 -171.298 -192.578 -171.298 -196.549 GPRESSURE: 1764000 -75.728 -57.5629 -112.098 51.2731 -431.237 -173.863 -153.64 -257.191 -186.103 PRESSAVG: 1764000 15.9598 -21.6444 0.655463 -21.6443 -40.1998 -18.7776 0.65543 -18.7777 25.3006 GPRESSAVG: 1764000 16.2068 -20.2683 0.862182 -23.208 -40.019 -19.6114 0.766482 -19.6174 25.1481 TIMING: 1764000 CPU: 5647.05, 0.00321924/step Wall: 5647.05, 0.00321924/step, 2.89374 hours remaining, 231.414062 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: 1764000 4003.0667 20556.9201 14551.1145 252.9843 -202894.0898 2228.7810 0.0000 0.0000 52247.1616 -109054.0616 300.2652 -161301.2232 -108691.2696 299.5041 -263.5033 -231.0227 762525.3837 0.3535 0.4453 PRESSURE: 1764200 -63.5724 99.5739 183.664 99.5736 -250.128 74.9769 183.665 74.9778 184.271 GPRESSURE: 1764200 -89.6961 89.9797 194.05 4.25962 -144.234 21.2291 12.0894 81.3826 183.731 PRESSAVG: 1764200 -11.8817 20.7721 -12.3939 20.7722 -2.9592 5.8885 -12.3939 5.88848 -1.00868 GPRESSAVG: 1764200 -13.3753 19.6275 -13.5419 20.4223 -2.42246 6.0441 -13.929 6.67413 -0.207822 TIMING: 1764200 CPU: 5647.7, 0.00322075/step Wall: 5647.7, 0.00322075/step, 2.89492 hours remaining, 231.414062 MB of memory in use. ENERGY: 1764200 4087.5319 20415.5332 14597.9434 252.6089 -203092.8422 2505.6361 0.0000 0.0000 52116.6247 -109116.9640 299.5150 -161233.5887 -108744.2010 299.8903 -43.1432 -16.7330 759855.4915 -5.2832 -5.3352 LDB: ============= START OF LOAD BALANCING ============== 5660.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5660.12 LDB: =============== DONE WITH MIGRATION ================ 5660.13 LDB: ============= START OF LOAD BALANCING ============== 5660.44 LDB: Largest compute 7074 load 0.035041 is 17.9% of average load 0.195505 LDB: Average compute 0.004406 is 2.3% of average load 0.195505 LDB: TIME 5660.45 LOAD: AVG 0.195505 MAX 0.211739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.809 MB LDB: TIME 5660.45 LOAD: AVG 0.195505 MAX 0.211739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: TIME 5660.45 LOAD: AVG 0.195505 MAX 0.211739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.844 MB LDB: ============== END OF LOAD BALANCING =============== 5660.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5660.45 PRESSURE: 1764400 394.249 123.178 61.8991 123.178 58.6505 57.9483 61.8989 57.948 253.284 GPRESSURE: 1764400 528.492 81.871 11.4684 146.442 -25.729 80.2341 73.5739 52.692 265.388 PRESSAVG: 1764400 76.2147 -3.40838 -18.3839 -3.40832 -45.6888 -29.3546 -18.3839 -29.3547 3.30542 GPRESSAVG: 1764400 78.5821 -2.46634 -17.9996 -2.31716 -47.1909 -30.1371 -16.373 -30.3645 2.6657 TIMING: 1764400 CPU: 5648.35, 0.00325254/step Wall: 5648.35, 0.00325254/step, 2.92331 hours remaining, 231.550781 MB of memory in use. ENERGY: 1764400 3912.3613 20601.2913 14505.0199 241.8469 -202832.3695 2262.5427 0.0000 0.0000 51840.0849 -109469.2225 297.9257 -161309.3074 -109115.1289 299.4304 235.3947 256.0503 759658.0754 11.2771 11.3523 PRESSURE: 1764600 -170.387 -198.528 -186.378 -198.528 -0.740111 -345.9 -186.378 -345.901 158.988 GPRESSURE: 1764600 -49.3209 -224.166 -210.776 -253.601 -40.2372 -293.357 -209.667 -323.336 174.576 PRESSAVG: 1764600 32.4376 -72.2306 27.6794 -72.2306 -26.3654 6.89443 27.6795 6.89434 10.5424 GPRESSAVG: 1764600 30.3629 -73.4537 27.3929 -73.388 -24.9899 7.87782 26.6806 8.14671 11.2026 TIMING: 1764600 CPU: 5648.98, 0.00317186/step Wall: 5648.98, 0.00317186/step, 2.85062 hours remaining, 231.550781 MB of memory in use. ENERGY: 1764600 3950.9391 20430.3666 14583.6442 258.8571 -203662.3525 2587.7765 0.0000 0.0000 52175.2617 -109675.5072 299.8519 -161850.7689 -109314.6758 298.6132 -4.0463 28.3392 759925.9751 5.5382 5.5252 PRESSURE: 1764800 41.7839 125.67 140.816 125.67 -287.045 -104.034 140.817 -104.034 82.9162 GPRESSURE: 1764800 88.1648 155.348 113.679 109.666 -254.656 -178.365 22.5443 -81.1799 96.4189 PRESSAVG: 1764800 31.5759 -16.585 69.0911 -16.585 5.083 -75.7364 69.0911 -75.7365 -8.37784 GPRESSAVG: 1764800 32.8855 -15.0115 69.0156 -15.1971 3.59494 -75.6264 68.7174 -76.5997 -8.22945 TIMING: 1764800 CPU: 5649.62, 0.00318244/step Wall: 5649.62, 0.00318244/step, 2.85996 hours remaining, 231.550781 MB of memory in use. ENERGY: 1764800 3941.2420 20403.2340 14625.6617 265.8399 -203853.0079 2658.1607 0.0000 0.0000 52019.9081 -109938.9616 298.9591 -161958.8697 -109579.4662 298.9070 -54.1149 -23.3574 759462.9886 9.4270 9.4170 PRESSURE: 1765000 232.048 -1.70222 5.12853 -1.70192 30.3947 30.6653 5.12854 30.6636 -206.926 GPRESSURE: 1765000 299.895 44.433 -34.2855 42.6911 -62.4513 -30.5857 11.6282 -19.2043 -110.9 PRESSAVG: 1765000 13.4016 19.8859 -29.7884 19.8859 14.2108 15.679 -29.7884 15.6792 7.95959 GPRESSAVG: 1765000 13.7142 19.4155 -27.2801 20.262 14.0967 16.4143 -29.3068 14.6679 7.82921 TIMING: 1765000 CPU: 5650.26, 0.00319391/step Wall: 5650.26, 0.00319391/step, 2.87008 hours remaining, 231.550781 MB of memory in use. ENERGY: 1765000 3998.6744 20662.7974 14571.0201 251.0934 -203496.2917 2250.7939 0.0000 0.0000 51796.7074 -109965.2051 297.6764 -161761.9125 -109614.1967 298.6382 18.5057 42.1814 759808.8614 11.8573 11.8800 PRESSURE: 1765200 -109.681 113.641 73.0759 113.641 -233.481 -248.592 73.0764 -248.591 256.249 GPRESSURE: 1765200 -45.87 137.691 12.6729 162.861 -198.05 -190.632 140.9 -262.421 234.428 PRESSAVG: 1765200 -34.8181 -0.392214 15.3997 -0.392186 9.32889 18.0574 15.3997 18.0574 -4.47249 GPRESSAVG: 1765200 -35.9156 -0.0089852 13.9988 -1.60456 9.5532 16.9212 12.4531 19.9845 -3.87662 TIMING: 1765200 CPU: 5650.89, 0.00316672/step Wall: 5650.89, 0.00316672/step, 2.84547 hours remaining, 231.550781 MB of memory in use. ENERGY: 1765200 3993.0400 20537.5149 14591.9504 248.2465 -203669.8197 2406.2202 0.0000 0.0000 52138.6048 -109754.2429 299.6413 -161892.8478 -109392.6773 298.6273 -28.9709 -3.1639 759765.1421 -9.9872 -10.0797 PRESSURE: 1765400 129.45 11.8323 32.8594 11.8329 20.1592 42.3509 32.8591 42.3505 -273.396 GPRESSURE: 1765400 161.102 78.1553 21.6838 -82.2883 56.8845 55.8262 -37.6431 13.124 -254.916 PRESSAVG: 1765400 45.0091 -1.13679 57.2575 -1.13677 -19.4252 -1.56552 57.2575 -1.56552 -6.49407 GPRESSAVG: 1765400 45.7137 -1.10253 56.7495 -1.64387 -19.6018 -1.11408 58.6967 -2.75078 -6.95425 TIMING: 1765400 CPU: 5651.53, 0.00321327/step Wall: 5651.53, 0.00321327/step, 2.88713 hours remaining, 231.550781 MB of memory in use. ENERGY: 1765400 3978.0453 20498.6027 14573.7314 252.3533 -203311.4884 2428.4966 0.0000 0.0000 51916.0773 -109664.1817 298.3624 -161580.2591 -109301.2815 298.9718 -41.2625 -12.3098 760927.8430 6.3633 6.3859 PRESSURE: 1765600 162.27 33.4651 -181.482 33.4659 14.0381 -11.9746 -181.482 -11.9757 283.977 GPRESSURE: 1765600 169.701 -45.9885 -54.4984 81.545 50.4262 -45.8676 -142.383 20.8018 341.827 PRESSAVG: 1765600 -26.1508 -4.77595 3.45743 -4.77594 23.1675 22.4435 3.45737 22.4435 3.2248 GPRESSAVG: 1765600 -26.3265 -4.60112 5.59321 -4.04102 24.005 19.941 5.11478 23.1344 3.2685 TIMING: 1765600 CPU: 5652.18, 0.0032462/step Wall: 5652.18, 0.0032462/step, 2.91653 hours remaining, 231.550781 MB of memory in use. ENERGY: 1765600 3984.8750 20455.3070 14566.6819 260.9034 -203968.2320 2722.6183 0.0000 0.0000 52146.6182 -109831.2282 299.6873 -161977.8464 -109466.5642 299.0634 153.4286 187.3180 759836.7664 0.0805 0.3157 PRESSURE: 1765800 -269.011 203.972 -207.469 203.972 -267.434 84.9952 -207.47 84.9964 91.5961 GPRESSURE: 1765800 -217.053 226.413 -115.384 168.514 -233.656 97.8735 -271.92 131.27 99.1131 PRESSAVG: 1765800 -0.316767 -14.5977 2.3396 -14.5977 10.1381 -24.435 2.33961 -24.4349 4.66212 GPRESSAVG: 1765800 -1.29892 -17.986 0.0368553 -13.0875 10.2377 -22.9267 2.09848 -25.5138 5.1319 TIMING: 1765800 CPU: 5652.82, 0.00319194/step Wall: 5652.82, 0.00319194/step, 2.86761 hours remaining, 231.550781 MB of memory in use. ENERGY: 1765800 4046.7327 20526.2920 14574.3949 257.5190 -203636.1545 2541.2458 0.0000 0.0000 51908.4577 -109781.5123 298.3186 -161689.9701 -109420.1394 298.6275 -148.2829 -117.1987 760860.1326 4.8278 4.6902 PRESSURE: 1766000 -84.7835 -32.0035 72.0752 -32.0039 -1.61003 3.06432 72.0751 3.06448 -221.734 GPRESSURE: 1766000 -39.6998 -12.6189 74.8636 36.9306 15.7809 -10.6597 59.4463 -9.45922 -175.988 PRESSAVG: 1766000 -5.67784 -85.6842 64.2067 -85.6841 7.15976 0.116089 64.2067 0.1161 3.34115 GPRESSAVG: 1766000 -4.68674 -83.9211 65.238 -86.8083 6.08145 -1.58909 61.2192 -1.09876 3.70599 TIMING: 1766000 CPU: 5653.46, 0.00317817/step Wall: 5653.46, 0.00317817/step, 2.85505 hours remaining, 231.550781 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: 1766000 4014.2573 20436.0699 14546.9930 250.6014 -203686.1932 2500.6905 0.0000 0.0000 51938.9724 -109998.6087 298.4940 -161937.5811 -109631.9917 298.3466 -102.7091 -66.6357 760282.1614 1.6077 1.7002 PRESSURE: 1766200 -422.493 -182.924 -159.086 -182.925 -93.6166 61.2409 -159.086 61.2411 -340.331 GPRESSURE: 1766200 -405.027 -176.895 -99.0097 -241.991 -67.1673 91.8877 -142.218 210.805 -295.644 PRESSAVG: 1766200 -29.8654 -42.1885 -14.9374 -42.1885 9.9373 8.88426 -14.9374 8.88433 14.7481 GPRESSAVG: 1766200 -30.9489 -41.7427 -13.8171 -41.7025 12.2193 10.9941 -14.3073 11.5188 13.7847 TIMING: 1766200 CPU: 5654.1, 0.00320522/step Wall: 5654.1, 0.00320522/step, 2.87918 hours remaining, 231.550781 MB of memory in use. ENERGY: 1766200 4004.7457 20385.4428 14518.9325 225.0815 -203196.5506 2447.1763 0.0000 0.0000 51645.8409 -109969.3309 296.8094 -161615.1718 -109613.2445 297.6845 -285.4803 -255.9462 760999.5979 -1.7267 -1.6483 PRESSURE: 1766400 -136.508 119.108 18.2228 119.109 22.3064 -151.134 18.2229 -151.134 -42.653 GPRESSURE: 1766400 -165.036 101.761 26.9241 241 2.70414 -90.0013 54.2808 -77.2183 67.671 PRESSAVG: 1766400 20.9321 55.6206 -5.74927 55.6206 -29.9385 -38.5412 -5.74924 -38.5413 19.5293 GPRESSAVG: 1766400 21.4132 54.6803 -8.06861 54.9269 -31.4025 -38.4436 -3.25711 -38.7208 20.2087 TIMING: 1766400 CPU: 5654.74, 0.00318847/step Wall: 5654.74, 0.00318847/step, 2.86396 hours remaining, 231.550781 MB of memory in use. ENERGY: 1766400 3928.9931 20598.4831 14511.4296 248.7314 -203794.6610 2639.5507 0.0000 0.0000 51992.7141 -109874.7590 298.8028 -161867.4731 -109511.5240 297.7602 -52.2849 -31.5538 759678.2230 3.5076 3.4065 PRESSURE: 1766600 -155.226 7.78621 158.442 7.78557 -757.925 193.953 158.441 193.951 -191.888 GPRESSURE: 1766600 -64.8814 1.06733 181.362 -45.7247 -705.45 194.035 176.925 66.9895 -252.747 PRESSAVG: 1766600 42.4407 1.86698 -24.2241 1.86699 -64.4216 -7.84781 -24.224 -7.84771 -6.05099 GPRESSAVG: 1766600 42.5708 2.73004 -24.296 2.2949 -63.7368 -7.14344 -25.6709 -12.3363 -6.55524 TIMING: 1766600 CPU: 5655.37, 0.0031911/step Wall: 5655.37, 0.0031911/step, 2.86614 hours remaining, 231.550781 MB of memory in use. ENERGY: 1766600 3996.2897 20688.0952 14495.1229 234.4347 -203248.2372 2137.1058 0.0000 0.0000 51901.9232 -109795.2657 298.2811 -161697.1889 -109440.7295 298.7275 -368.3461 -341.0261 759123.3405 -9.3439 -9.2404 PRESSURE: 1766800 10.7049 -54.0346 -59.3343 -54.0352 53.7103 -57.7948 -59.3351 -57.7951 -274.209 GPRESSURE: 1766800 -29.0413 -168.964 41.7901 33.4422 239.179 -0.563242 -60.5846 -148.37 -332.56 PRESSAVG: 1766800 -37.1531 -11.5972 9.36565 -11.5972 28.0345 -14.2114 9.36566 -14.2113 -3.7 GPRESSAVG: 1766800 -36.0279 -12.3499 8.86551 -12.213 27.4035 -15.2465 10.9265 -9.51383 -3.42657 TIMING: 1766800 CPU: 5656.01, 0.00319102/step Wall: 5656.01, 0.00319102/step, 2.86589 hours remaining, 231.550781 MB of memory in use. ENERGY: 1766800 4061.5604 20443.1906 14503.9156 230.9841 -203703.4022 2538.2243 0.0000 0.0000 51966.6379 -109958.8894 298.6530 -161925.5272 -109600.4055 298.6278 -69.9312 -40.8076 758867.1888 -4.2728 -4.0170 PRESSURE: 1767000 -32.0917 -13.4978 14.5146 -13.4973 200.261 -126.616 14.5142 -126.616 -249.545 GPRESSURE: 1767000 58.7561 46.3104 -103.324 -135.568 141.351 -84.1072 -56.9056 -45.4488 -198.203 PRESSAVG: 1767000 -10.7871 -50.191 -7.73724 -50.191 -37.1954 -2.90703 -7.73719 -2.90708 0.427968 GPRESSAVG: 1767000 -11.8838 -49.6185 -7.44771 -48.3724 -35.7129 -2.32718 -8.81772 -4.37757 0.814176 TIMING: 1767000 CPU: 5656.65, 0.00319916/step Wall: 5656.65, 0.00319916/step, 2.87302 hours remaining, 231.550781 MB of memory in use. ENERGY: 1767000 4012.7439 20607.6715 14523.6192 241.3378 -203485.1059 2418.2023 0.0000 0.0000 51811.6715 -109869.8597 297.7624 -161681.5311 -109522.0826 298.6541 -27.1251 0.6348 759786.7959 -15.8515 -15.5942 PRESSURE: 1767200 -242.57 -96.8277 -232.372 -96.8272 -142.43 183.406 -232.372 183.406 -264.922 GPRESSURE: 1767200 -183.414 -114.261 -260.853 12.3887 -189.79 182.215 -194.035 97.0514 -198.716 PRESSAVG: 1767200 -0.930327 33.6363 -2.00059 33.6363 -2.55791 -9.02307 -2.00051 -9.02311 -18.3259 GPRESSAVG: 1767200 0.462609 35.8202 -2.21488 32.2623 -2.35165 -8.19015 -0.584366 -10.0873 -19.8106 TIMING: 1767200 CPU: 5657.29, 0.00319884/step Wall: 5657.29, 0.00319884/step, 2.87256 hours remaining, 231.550781 MB of memory in use. ENERGY: 1767200 3885.2749 20582.3171 14505.0961 250.2818 -203472.5213 2628.5479 0.0000 0.0000 51878.3154 -109742.6881 298.1454 -161621.0034 -109395.4269 298.3201 -216.6406 -190.6400 760206.3524 -7.2714 -7.2332 PRESSURE: 1767400 -24.5154 -244.551 84.5356 -244.552 116.206 -165.425 84.5357 -165.423 -116.049 GPRESSURE: 1767400 44.0188 -163.253 45.169 -310.793 116.755 -119.772 73.3244 -75.5532 -100.925 PRESSAVG: 1767400 32.2192 -9.85265 -30.4179 -9.85265 -2.46443 -24.8521 -30.418 -24.8521 -15.9971 GPRESSAVG: 1767400 32.177 -11.9103 -30.2166 -10.8277 -4.26532 -27.6889 -33.9586 -23.2631 -13.7951 TIMING: 1767400 CPU: 5657.92, 0.00316341/step Wall: 5657.92, 0.00316341/step, 2.84056 hours remaining, 231.550781 MB of memory in use. ENERGY: 1767400 3930.0235 20563.4257 14518.5264 241.1888 -203539.0639 2516.0375 0.0000 0.0000 51772.5802 -109997.2819 297.5377 -161769.8621 -109635.1460 298.3819 -8.1194 19.9495 759848.0770 4.5859 4.7055 PRESSURE: 1767600 185.941 73.631 30.0352 73.6314 99.9482 67.6165 30.0353 67.6159 314.178 GPRESSURE: 1767600 181.792 52.152 25.8237 125.267 179.485 36.8151 -52.524 -13.3713 335.301 PRESSAVG: 1767600 -21.5381 2.71216 46.0665 2.71214 47.3855 5.9064 46.0665 5.90638 5.8184 GPRESSAVG: 1767600 -20.635 2.14208 46.7926 3.35729 47.8819 7.96377 48.5584 6.58386 4.79331 TIMING: 1767600 CPU: 5658.56, 0.00318688/step Wall: 5658.56, 0.00318688/step, 2.86146 hours remaining, 231.550781 MB of memory in use. ENERGY: 1767600 3894.8952 20415.9382 14477.5849 224.9995 -203812.4133 2671.5392 0.0000 0.0000 52019.2728 -110108.1835 298.9555 -162127.4563 -109741.4416 298.1699 200.0222 232.1924 759106.0161 10.5553 10.6801 PRESSURE: 1767800 -89.0059 85.5095 80.1106 85.5083 -58.4135 43.0919 80.1104 43.0918 89.9801 GPRESSURE: 1767800 -52.5922 -45.5104 141.73 184.39 32.1329 75.2076 219.763 62.5815 57.4646 PRESSAVG: 1767800 40.0171 47.5437 18.4633 47.5437 -29.0039 -27.928 18.4633 -27.9281 12.7872 GPRESSAVG: 1767800 38.7227 46.7908 18.6875 49.2208 -28.7797 -28.6131 17.4611 -28.1857 13.9341 TIMING: 1767800 CPU: 5659.2, 0.00318305/step Wall: 5659.2, 0.00318305/step, 2.85785 hours remaining, 231.550781 MB of memory in use. ENERGY: 1767800 3875.9430 20397.5743 14578.4040 266.7938 -203777.3893 2548.9837 0.0000 0.0000 52094.6005 -110015.0900 299.3884 -162109.6905 -109646.4984 297.9856 -19.1464 12.3351 758029.2523 7.9335 7.9590 PRESSURE: 1768000 -67.8428 5.45782 -134.449 5.45717 215.208 -108.115 -134.45 -108.113 122.479 GPRESSURE: 1768000 -66.5131 1.72128 -214.617 -24.75 275.048 21.2841 -146.99 -59.4415 124.911 PRESSAVG: 1768000 -45.4675 45.1477 -23.3938 45.1477 38.8471 44.1467 -23.3938 44.1468 -18.3608 GPRESSAVG: 1768000 -45.0251 45.5043 -23.1536 44.351 38.2027 44.2827 -23.0363 42.651 -18.2334 TIMING: 1768000 CPU: 5659.83, 0.00317245/step Wall: 5659.83, 0.00317245/step, 2.84816 hours remaining, 231.550781 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: 1768000 3953.0939 20528.1427 14551.7212 240.9200 -203554.4213 2523.8053 0.0000 0.0000 51787.6644 -109969.0740 297.6244 -161756.7384 -109605.8540 298.2787 89.9481 111.1486 760051.1682 -8.3271 -8.3520 PRESSURE: 1768200 -648.583 46.8347 -82.4955 46.8349 -547.617 -163.111 -82.4962 -163.112 -381.748 GPRESSURE: 1768200 -565.356 117.682 -87.1448 -29.0087 -517.458 -224.695 -242.92 -221.386 -410.629 PRESSAVG: 1768200 -46.2838 17.765 -52.797 17.7651 16.2943 -5.7601 -52.7969 -5.76011 -8.37467 GPRESSAVG: 1768200 -46.9241 19.0858 -54.2256 18.7198 17.7987 -5.59618 -53.5554 -6.13602 -9.81939 TIMING: 1768200 CPU: 5660.47, 0.00317623/step Wall: 5660.47, 0.00317623/step, 2.85137 hours remaining, 231.550781 MB of memory in use. ENERGY: 1768200 4057.4862 20440.8059 14540.7296 256.6580 -202866.2718 2089.5017 0.0000 0.0000 51724.9003 -109756.1901 297.2637 -161481.0904 -109389.6175 298.3882 -525.9826 -497.8145 761376.1145 -12.7881 -12.9816 LDB: ============= START OF LOAD BALANCING ============== 5672.9 LDB: ============== END OF LOAD BALANCING =============== 5672.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5672.9 LDB: ============= START OF LOAD BALANCING ============== 5673.22 LDB: Largest compute 7034 load 0.035611 is 18.2% of average load 0.195419 LDB: Average compute 0.004396 is 2.2% of average load 0.195419 LDB: TIME 5673.23 LOAD: AVG 0.195419 MAX 0.215943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.062 MB LDB: TIME 5673.23 LOAD: AVG 0.195419 MAX 0.215943 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.266 MB LDB: TIME 5673.23 LOAD: AVG 0.195419 MAX 0.215943 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.266 MB LDB: ============== END OF LOAD BALANCING =============== 5673.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5673.23 PRESSURE: 1768400 154.013 -139.654 3.49884 -139.654 85.1187 -411.448 3.49908 -411.45 -111.956 GPRESSURE: 1768400 140.42 -121.434 48.3051 -144.159 187.057 -435.371 -50.0197 -363.968 -106.841 PRESSAVG: 1768400 -23.1254 0.345717 -30.1546 0.345727 -3.52391 -2.78301 -30.1546 -2.78298 -0.853212 GPRESSAVG: 1768400 -20.553 -0.957462 -30.1489 -1.66777 -3.97728 -2.2048 -29 -1.23756 -2.31746 TIMING: 1768400 CPU: 5661.13, 0.00329472/step Wall: 5661.13, 0.00329472/step, 2.95756 hours remaining, 232.320312 MB of memory in use. ENERGY: 1768400 4018.9159 20646.1927 14519.1507 236.6623 -203510.0081 2599.3006 0.0000 0.0000 51723.5012 -109766.2848 297.2557 -161489.7860 -109420.2651 298.4794 42.3917 73.5452 759233.1367 -9.1675 -8.9493 PRESSURE: 1768600 342.819 -8.86159 82.9179 -8.86251 -175.477 323.868 82.9173 323.869 -63.9803 GPRESSURE: 1768600 266.831 -107.757 56.0196 10.6784 -79.816 328.696 -89.5532 274.545 -4.16363 PRESSAVG: 1768600 21.7849 -16.1374 -10.8951 -16.1374 0.630445 -14.7158 -10.8951 -14.7159 -5.01583 GPRESSAVG: 1768600 20.4173 -15.2001 -8.07114 -16.7473 1.02676 -14.4027 -12.1268 -15.1986 -4.39972 TIMING: 1768600 CPU: 5661.76, 0.00317052/step Wall: 5661.76, 0.00317052/step, 2.8459 hours remaining, 232.519531 MB of memory in use. ENERGY: 1768600 3921.9114 20451.4065 14532.1648 217.8536 -203598.4946 2596.4624 0.0000 0.0000 52148.5770 -109730.1190 299.6986 -161878.6960 -109361.2137 298.4739 34.4542 60.9505 760904.8270 5.7998 5.6814 PRESSURE: 1768800 -395.044 282.282 207.521 282.281 -129.709 -109.212 207.522 -109.211 250.564 GPRESSURE: 1768800 -319.434 157.137 106.6 306.137 -68.1432 -128.104 279.347 -136.375 201.641 PRESSAVG: 1768800 -1.05797 16.0748 22.4882 16.0748 18.2607 -7.64207 22.4883 -7.64206 -0.76295 GPRESSAVG: 1768800 -1.3139 17.5998 20.7403 16.1304 18.1094 -7.4663 24.7161 -8.42364 -0.474849 TIMING: 1768800 CPU: 5662.4, 0.00317479/step Wall: 5662.4, 0.00317479/step, 2.84955 hours remaining, 232.519531 MB of memory in use. ENERGY: 1768800 3905.9879 20321.3183 14521.0978 254.1672 -203145.3131 2403.5430 0.0000 0.0000 51857.4675 -109881.7314 298.0256 -161739.1989 -109516.1383 298.0424 -91.3963 -61.9788 760101.1577 5.4799 5.4402 PRESSURE: 1769000 -128.16 88.2098 167.004 88.2098 -300.234 -168 167.004 -168 -240.661 GPRESSURE: 1769000 -92.9428 97.0346 220.507 -46.3254 -288.297 -149.637 163.377 -146.668 -212.055 PRESSAVG: 1769000 28.9073 76.5514 35.9794 76.5514 0.380878 -31.3564 35.9794 -31.3564 0.842358 GPRESSAVG: 1769000 29.1377 73.5481 35.4414 77.9386 0.923273 -31.1373 36.1342 -31.3212 0.506344 TIMING: 1769000 CPU: 5663.03, 0.00315609/step Wall: 5663.03, 0.00315609/step, 2.83259 hours remaining, 232.519531 MB of memory in use. ENERGY: 1769000 3993.9079 20456.5368 14538.7285 244.4874 -203209.1612 2322.8055 0.0000 0.0000 51895.4242 -109757.2710 298.2437 -161652.6952 -109388.8177 298.6806 -223.0185 -197.7647 760863.4216 10.0435 10.1891 PRESSURE: 1769200 -237.694 -164.838 -320.013 -164.838 126.003 -195.468 -320.012 -195.467 218.196 GPRESSURE: 1769200 -176.855 -288.601 -276.224 -54.704 161.134 -107.247 -336.927 -309.639 201.803 PRESSAVG: 1769200 8.91851 5.14432 12.6295 5.1443 -46.9762 -35.7445 12.6296 -35.7446 -2.30762 GPRESSAVG: 1769200 8.93985 6.84006 11.1616 4.57298 -47.8989 -36.804 12.9659 -34.9395 -1.42326 TIMING: 1769200 CPU: 5663.66, 0.00313982/step Wall: 5663.66, 0.00313982/step, 2.81781 hours remaining, 232.519531 MB of memory in use. ENERGY: 1769200 4001.8689 20473.1667 14448.5918 248.3164 -203495.4854 2669.1313 0.0000 0.0000 51834.7283 -109819.6819 297.8949 -161654.4102 -109451.0871 298.1354 35.5014 62.0272 760774.1016 -13.4551 -13.4608 PRESSURE: 1769400 -273.806 -57.4767 146.48 -57.4769 -184.382 196.218 146.48 196.218 358.338 GPRESSURE: 1769400 -204.028 -2.09326 121.955 -44.2733 -206.964 221.201 71.152 263.365 406.981 PRESSAVG: 1769400 -29.1697 60.246 16.9348 60.2461 42.7433 14.4997 16.9348 14.4998 -5.73617 GPRESSAVG: 1769400 -28.6107 61.8425 18.4001 60.618 43.0233 14.3254 15.7866 12.9672 -6.26404 TIMING: 1769400 CPU: 5664.29, 0.00316447/step Wall: 5664.29, 0.00316447/step, 2.83976 hours remaining, 232.519531 MB of memory in use. ENERGY: 1769400 4038.0038 20425.6967 14497.2230 244.5683 -203507.7612 2469.7369 0.0000 0.0000 52012.3985 -109820.1340 298.9160 -161832.5325 -109469.0646 299.0525 -33.2835 -1.3369 759496.6856 2.6125 2.7162 PRESSURE: 1769600 -310.901 34.5429 -56.4497 34.5431 -169.357 61.5111 -56.4492 61.5117 -19.6453 GPRESSURE: 1769600 -242.217 25.7029 -24.6905 17.1273 -159.268 -35.663 -86.3575 -67.4537 -7.90596 PRESSAVG: 1769600 1.3093 -26.4924 -10.9323 -26.4924 21.6745 8.44966 -10.9323 8.44963 16.952 GPRESSAVG: 1769600 1.7488 -25.4892 -10.3862 -28.1511 19.8655 7.19784 -13.7491 9.53262 17.8333 TIMING: 1769600 CPU: 5664.92, 0.00316615/step Wall: 5664.92, 0.00316615/step, 2.84109 hours remaining, 232.519531 MB of memory in use. ENERGY: 1769600 4004.0424 20201.1130 14455.2799 267.3395 -203767.9853 2708.1950 0.0000 0.0000 52146.2042 -109985.8115 299.6850 -162132.0156 -109613.8109 298.3099 -166.6344 -136.4638 759842.8701 13.3119 13.1492 PRESSURE: 1769800 95.5606 176.443 98.0648 176.443 257.204 231.932 98.0643 231.932 -139.257 GPRESSURE: 1769800 144.123 178.648 77.6102 117.778 244.782 268.471 141.366 110.582 -89.2639 PRESSAVG: 1769800 -9.82341 -61.1179 -7.34113 -61.118 20.5122 -8.43055 -7.34114 -8.43047 -28.2925 GPRESSAVG: 1769800 -10.3947 -63.5735 -6.81217 -60.1112 22.2201 -7.35147 -7.81826 -9.26103 -29.8417 TIMING: 1769800 CPU: 5665.55, 0.0031633/step Wall: 5665.55, 0.0031633/step, 2.83836 hours remaining, 232.519531 MB of memory in use. ENERGY: 1769800 3956.6607 20407.0992 14493.4077 222.2874 -203776.7492 2580.5390 0.0000 0.0000 51790.6400 -110326.1153 297.6415 -162116.7553 -109975.2221 297.7818 71.1694 99.8803 759450.2447 -5.8679 -6.0055 PRESSURE: 1770000 -139.693 -269.754 -139.261 -269.755 112.585 13.576 -139.261 13.5756 -178.693 GPRESSURE: 1770000 -24.5745 -300.968 -121.476 -235.356 48.044 -83.0382 -65.4061 124.156 -131.011 PRESSAVG: 1770000 67.4538 -36.4115 -43.2929 -36.4115 -33.0205 -26.3154 -43.2928 -26.3153 -19.7995 GPRESSAVG: 1770000 66.9084 -34.8461 -43.1775 -37.7588 -33.0799 -28.182 -40.6528 -24.5855 -19.4568 TIMING: 1770000 CPU: 5666.19, 0.00318505/step Wall: 5666.19, 0.00318505/step, 2.8577 hours remaining, 232.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1770000 4031.5991 20307.9367 14491.5862 246.6017 -203689.4884 2467.3168 0.0000 0.0000 51716.8309 -110427.6171 297.2173 -162144.4480 -110066.1134 297.2637 -68.6004 -35.8471 759789.7054 4.8779 4.7906 PRESSURE: 1770200 -34.4798 -49.883 41.8332 -49.8835 308.325 -207.124 41.8346 -207.124 253.77 GPRESSURE: 1770200 -11.7359 -49.5512 40.8247 85.0713 372.494 -194.568 -45.5094 -180.622 242.269 PRESSAVG: 1770200 8.9857 -47.3988 -45.1455 -47.3988 -7.28596 2.14674 -45.1454 2.14674 -7.99027 GPRESSAVG: 1770200 8.95356 -50.1668 -47.3489 -44.4046 -8.00757 3.97751 -44.6605 2.41838 -7.68499 TIMING: 1770200 CPU: 5666.82, 0.00316648/step Wall: 5666.82, 0.00316648/step, 2.84086 hours remaining, 232.519531 MB of memory in use. ENERGY: 1770200 3962.9238 20405.8308 14505.2668 239.7069 -204085.8088 2883.6351 0.0000 0.0000 51642.3549 -110446.0904 296.7893 -162088.4453 -110085.8376 297.3667 175.8718 201.0091 759874.8243 -2.0968 -2.2463 PRESSURE: 1770400 -388.302 6.86988 158.775 6.86975 -253.763 -131.48 158.775 -131.479 232.001 GPRESSURE: 1770400 -265.129 4.22574 219.124 8.30194 -320.263 -194.457 170.755 -156.506 260.7 PRESSAVG: 1770400 42.9374 -6.27221 -21.9534 -6.27219 -5.40497 26.5773 -21.9535 26.5773 -8.24125 GPRESSAVG: 1770400 43.3736 -4.44614 -22.6213 -7.89377 -4.78331 27.7107 -21.8796 24.8958 -9.37608 TIMING: 1770400 CPU: 5667.45, 0.00315067/step Wall: 5667.45, 0.00315067/step, 2.8265 hours remaining, 232.519531 MB of memory in use. ENERGY: 1770400 4038.5815 20337.7652 14519.3979 255.2962 -203627.6395 2413.9773 0.0000 0.0000 51420.8168 -110641.8046 295.5161 -162062.6214 -110281.1493 297.2535 -136.6879 -108.2308 758440.0615 9.7637 9.7381 PRESSURE: 1770600 59.2426 164.353 16.0386 164.353 25.376 -78.7225 16.0376 -78.7235 -8.88701 GPRESSURE: 1770600 75.02 205.16 46.4006 153.927 66.9305 -17.3263 42.1892 -137.237 36.0412 PRESSAVG: 1770600 38.5739 31.133 -29.1991 31.1331 -42.7826 -23.8896 -29.1991 -23.8895 16.3416 GPRESSAVG: 1770600 37.7544 31.7751 -27.0911 29.5685 -43.4485 -25.55 -28.6344 -22.8197 18.0764 TIMING: 1770600 CPU: 5668.09, 0.00318724/step Wall: 5668.09, 0.00318724/step, 2.85913 hours remaining, 232.519531 MB of memory in use. ENERGY: 1770600 3945.6272 20424.8582 14414.9198 226.4095 -203960.8753 2552.9956 0.0000 0.0000 51860.9572 -110535.1078 298.0456 -162396.0651 -110177.4008 296.9413 25.2438 59.3306 759634.3969 4.0443 4.1274 PRESSURE: 1770800 -119.537 -48.1108 -183.077 -48.1099 130.135 85.3424 -183.077 85.3437 158.304 GPRESSURE: 1770800 -3.7815 -64.0243 -83.9382 -96.157 169.286 108.221 -197.793 73.366 92.1007 PRESSAVG: 1770800 -27.2739 -45.3946 -3.37922 -45.3946 35.2724 11.2066 -3.37922 11.2066 -18.1715 GPRESSAVG: 1770800 -27.7584 -45.8077 -4.12368 -45.5363 36.4629 12.0583 -3.73214 9.74272 -18.6229 TIMING: 1770800 CPU: 5668.72, 0.00315541/step Wall: 5668.72, 0.00315541/step, 2.8304 hours remaining, 232.519531 MB of memory in use. ENERGY: 1770800 3938.1173 20294.0761 14508.6243 241.8803 -203707.2031 2544.6870 0.0000 0.0000 51878.2506 -110301.5675 298.1450 -162179.8180 -109933.1391 297.7391 56.3009 85.8684 759073.8308 -3.3910 -3.3061 PRESSURE: 1771000 -40.3546 181.264 19.6163 181.264 -181.395 -79.7448 19.6166 -79.7451 34.3846 GPRESSURE: 1771000 26.5587 218.246 -39.4525 279.307 -151.977 -48.88 93.2687 -56.7616 17.4096 PRESSAVG: 1771000 -9.36479 45.2147 -63.3283 45.2146 32.2782 11.5129 -63.3283 11.5129 -3.18289 GPRESSAVG: 1771000 -8.44509 43.8531 -63.2754 47.9767 30.8315 11.388 -62.8983 11.6776 -3.1214 TIMING: 1771000 CPU: 5669.36, 0.0031942/step Wall: 5669.36, 0.0031942/step, 2.86502 hours remaining, 232.519531 MB of memory in use. ENERGY: 1771000 3961.9411 20432.5519 14436.5261 236.3251 -202933.2390 2058.2034 0.0000 0.0000 51662.0222 -110145.6692 296.9024 -161807.6913 -109781.4698 297.8636 -62.4550 -36.0029 760685.8822 6.5769 6.4217 PRESSURE: 1771200 23.5867 103.512 194.816 103.511 129.028 46.0353 194.817 46.0348 -82.4484 GPRESSURE: 1771200 80.7255 137.557 227.22 -13.9824 195.459 -16.0677 57.8109 -35.4178 -89.9241 PRESSAVG: 1771200 -34.3902 -17.2946 -37.5457 -17.2946 10.7755 -36.4895 -37.5457 -36.4895 -6.0072 GPRESSAVG: 1771200 -33.3978 -16.5863 -39.2175 -20.1609 11.5349 -35.3708 -38.0879 -37.6428 -7.04618 TIMING: 1771200 CPU: 5670, 0.00319323/step Wall: 5670, 0.00319323/step, 2.86398 hours remaining, 232.519531 MB of memory in use. ENERGY: 1771200 3934.7095 20399.6474 14507.6790 242.3176 -203259.8710 2294.1828 0.0000 0.0000 51822.9945 -110058.3402 297.8275 -161881.3347 -109700.8101 297.6630 23.3889 62.0869 760404.9289 -9.8740 -9.6364 PRESSURE: 1771400 -204.401 14.8581 -183.126 14.8578 -94.6181 169.692 -183.126 169.693 -130.943 GPRESSURE: 1771400 -91.6229 93.9324 -137.224 159.08 -79.0815 158.158 -86.7929 79.4398 -171.51 PRESSAVG: 1771400 -52.37 40.2672 -74.0561 40.2672 76.2942 7.831 -74.0561 7.831 -8.48511 GPRESSAVG: 1771400 -53.8279 38.8544 -73.0039 42.4452 75.8167 7.57238 -75.2271 7.53031 -7.06623 TIMING: 1771400 CPU: 5670.64, 0.00319601/step Wall: 5670.64, 0.00319601/step, 2.86629 hours remaining, 232.519531 MB of memory in use. ENERGY: 1771400 3990.4895 20411.8514 14470.6928 247.3770 -203291.0006 2228.8770 0.0000 0.0000 51781.1019 -110160.6109 297.5867 -161941.7128 -109805.2011 297.5667 -143.3207 -114.0716 759487.3710 5.1463 4.9742 PRESSURE: 1771600 -140.042 -3.34192 -131.447 -3.3426 -40.7493 -305.298 -131.447 -305.298 138.438 GPRESSURE: 1771600 -61.8314 121.3 -243.17 160.075 -88.5012 -235.277 -11.5092 -350.492 228.159 PRESSAVG: 1771600 -27.3568 13.2705 -58.6252 13.2706 -7.35962 -0.269144 -58.6252 -0.2691 -7.33631 GPRESSAVG: 1771600 -26.8392 16.3478 -56.3773 11.0174 -7.96875 -1.12311 -57.8845 -0.273926 -7.1551 TIMING: 1771600 CPU: 5671.28, 0.00320276/step Wall: 5671.28, 0.00320276/step, 2.87217 hours remaining, 232.519531 MB of memory in use. ENERGY: 1771600 4014.7812 20248.6728 14548.1799 248.2825 -203747.1852 2699.2078 0.0000 0.0000 52169.6707 -109818.3903 299.8198 -161988.0610 -109460.6120 297.9058 -14.1178 25.9422 760702.5833 -14.0176 -13.9877 PRESSURE: 1771800 2.89277 -142.208 -223.787 -142.208 -31.0951 -17.9519 -223.787 -17.9528 -273.595 GPRESSURE: 1771800 49.3508 -146.745 -162.773 84.2985 -27.0812 -36.9424 -244.865 -38.5037 -259.397 PRESSAVG: 1771800 -53.951 -34.8488 -69.9184 -34.8488 39.3227 -12.1441 -69.9185 -12.144 20.0794 GPRESSAVG: 1771800 -53.897 -36.6426 -71.7 -32.498 38.5649 -11.3067 -70.8496 -12.192 20.1825 TIMING: 1771800 CPU: 5671.91, 0.00315867/step Wall: 5671.91, 0.00315867/step, 2.83245 hours remaining, 232.519531 MB of memory in use. ENERGY: 1771800 3943.2862 20513.4794 14575.8653 266.0150 -203515.0512 2571.8663 0.0000 0.0000 52042.2279 -109602.3111 299.0874 -161644.5390 -109243.4173 299.5083 -100.5993 -79.0425 761558.6573 1.8171 1.6168 PRESSURE: 1772000 -202.311 141.322 202.651 141.323 128.954 170.679 202.651 170.679 -265.99 GPRESSURE: 1772000 -62.2239 46.5304 268.261 118.01 88.9198 88.7656 197.489 72.137 -287.412 PRESSAVG: 1772000 -26.484 -17.5004 -51.329 -17.5004 52.0296 -34.9495 -51.3289 -34.9495 18.1486 GPRESSAVG: 1772000 -25.1822 -15.7271 -50.529 -19.2143 51.9539 -36.7811 -51.7728 -33.646 16.5454 TIMING: 1772000 CPU: 5672.55, 0.0031882/step Wall: 5672.55, 0.0031882/step, 2.85875 hours remaining, 232.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1772000 3964.2390 20315.9558 14603.2803 244.6894 -203499.6523 2577.3163 0.0000 0.0000 52000.5742 -109793.5974 298.8480 -161794.1716 -109425.6472 298.9237 -113.1161 -86.9054 761094.4411 14.5648 14.4390 PRESSURE: 1772200 380.123 130.377 140.363 130.377 -298.548 -190.793 140.363 -190.791 243.365 GPRESSURE: 1772200 347.106 106.783 101.38 136.625 -213.898 -213.956 94.843 -230.994 284.143 PRESSAVG: 1772200 5.56038 42.7545 0.185901 42.7545 -37.4158 -22.8886 0.185827 -22.8885 5.72158 GPRESSAVG: 1772200 4.28929 38.3665 -1.2748 42.2921 -36.9002 -22.6279 1.61022 -25.5703 6.48612 TIMING: 1772200 CPU: 5673.2, 0.00322733/step Wall: 5673.2, 0.00322733/step, 2.89366 hours remaining, 232.519531 MB of memory in use. ENERGY: 1772200 3991.7338 20436.1593 14566.8794 251.4545 -203546.5461 2621.5111 0.0000 0.0000 51965.3895 -109713.4185 298.6458 -161678.8080 -109348.6910 298.3968 108.3132 139.1172 761806.8700 -8.7113 -8.7083 LDB: ============= START OF LOAD BALANCING ============== 5685.62 LDB: ============== END OF LOAD BALANCING =============== 5685.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5685.62 LDB: ============= START OF LOAD BALANCING ============== 5685.94 LDB: Largest compute 7047 load 0.034878 is 17.9% of average load 0.195370 LDB: Average compute 0.004428 is 2.3% of average load 0.195370 LDB: TIME 5685.95 LOAD: AVG 0.19537 MAX 0.213138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.094 MB LDB: TIME 5685.95 LOAD: AVG 0.19537 MAX 0.213138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.094 MB LDB: TIME 5685.95 LOAD: AVG 0.19537 MAX 0.213138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.094 MB LDB: ============== END OF LOAD BALANCING =============== 5685.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5685.95 PRESSURE: 1772400 -218.706 2.24412 -74.4674 2.24554 -297.799 182.789 -74.4676 182.791 -168.268 GPRESSURE: 1772400 -165.157 151.212 -11.1757 113.978 -269.372 143.085 -124.377 190.664 -156.124 PRESSAVG: 1772400 2.6424 11.571 50.1177 11.571 1.98968 -39.4903 50.1177 -39.4902 3.81027 GPRESSAVG: 1772400 1.65233 12.9618 51.6712 11.7756 2.14862 -38.5951 46.935 -39.9636 4.83142 TIMING: 1772400 CPU: 5673.85, 0.00326489/step Wall: 5673.85, 0.00326489/step, 2.92716 hours remaining, 231.863281 MB of memory in use. ENERGY: 1772400 4063.9461 20416.1963 14596.2075 235.8749 -202812.2175 2107.0890 0.0000 0.0000 51760.8074 -109632.0962 297.4701 -161392.9036 -109277.8770 298.6779 -228.2577 -196.8841 761795.7615 2.8141 2.8775 PRESSURE: 1772600 -135.644 -96.1334 -201.17 -96.1342 -56.1729 27.9812 -201.171 27.9803 -67.7917 GPRESSURE: 1772600 -116.434 -49.9344 -170.564 -102.944 53.615 -10.8155 -113.036 -29.4756 -102.996 PRESSAVG: 1772600 -27.345 -8.63756 59.0056 -8.63756 -14.1907 -12.8987 59.0056 -12.8987 6.32875 GPRESSAVG: 1772600 -25.9365 -7.9009 58.9475 -7.04788 -13.5019 -12.7023 60.1073 -12.9717 4.21085 TIMING: 1772600 CPU: 5674.49, 0.00319831/step Wall: 5674.49, 0.00319831/step, 2.86728 hours remaining, 232.062500 MB of memory in use. ENERGY: 1772600 4090.7366 20522.7000 14510.6078 230.6896 -203571.9031 2592.6671 0.0000 0.0000 52218.6267 -109405.8754 300.1012 -161624.5021 -109044.1577 299.1540 -86.5361 -55.2717 761907.9132 -11.7356 -11.7425 PRESSURE: 1772800 -31.952 -100.447 -168.827 -100.448 -206.273 -148.37 -168.827 -148.368 244.256 GPRESSURE: 1772800 3.1395 -159.302 -253.527 -79.1645 -189.001 -175.829 -16.4988 -156.564 280.348 PRESSAVG: 1772800 32.8216 -30.0248 22.8848 -30.0249 -28.152 -58.1946 22.8847 -58.1946 20.7052 GPRESSAVG: 1772800 32.7386 -29.621 22.6538 -31.5622 -30.0427 -58.3964 25.0201 -56.5392 22.5806 TIMING: 1772800 CPU: 5675.12, 0.00316812/step Wall: 5675.12, 0.00316812/step, 2.84004 hours remaining, 232.062500 MB of memory in use. ENERGY: 1772800 3957.3227 20566.1114 14542.4985 228.4103 -203281.9635 2448.1848 0.0000 0.0000 51910.7841 -109628.6517 298.3320 -161539.4358 -109271.8607 298.7424 2.0105 31.4953 761970.6862 8.4583 8.4255 PRESSURE: 1773000 -113.854 -61.163 306.95 -61.1621 -95.2144 -148.547 306.949 -148.546 91.9432 GPRESSURE: 1773000 -142.555 -68.5853 229.872 -57.6587 -8.19388 -140.21 325.6 -62.3348 132.394 PRESSAVG: 1773000 -28.6099 -63.1275 31.6777 -63.1274 16.3385 -37.7291 31.6777 -37.729 9.0689 GPRESSAVG: 1773000 -28.5071 -64.9752 30.9108 -63.1838 17.6973 -39.2755 28.8717 -38.3096 8.21302 TIMING: 1773000 CPU: 5675.75, 0.00316267/step Wall: 5675.75, 0.00316267/step, 2.83498 hours remaining, 232.351562 MB of memory in use. ENERGY: 1773000 3966.6003 20513.6559 14510.1478 243.9973 -203839.3496 2832.6759 0.0000 0.0000 52137.2317 -109635.0407 299.6334 -161772.2724 -109280.1208 298.9742 -39.0416 -6.1185 760572.1084 -1.0675 -0.8656 PRESSURE: 1773200 68.0838 68.4046 -182.458 68.4049 -78.4589 191.721 -182.458 191.722 -23.5337 GPRESSURE: 1773200 152.381 -12.6093 -151.616 52.8403 -79.7879 136.807 -264.273 181.428 -26.6886 PRESSAVG: 1773200 29.7621 -20.8034 -21.496 -20.8034 11.6064 -10.5527 -21.496 -10.5528 -5.12827 GPRESSAVG: 1773200 30.1728 -19.7773 -21.8793 -21.8911 10.6997 -8.70756 -19.6745 -10.4477 -4.15889 TIMING: 1773200 CPU: 5676.39, 0.00317249/step Wall: 5676.39, 0.00317249/step, 2.84361 hours remaining, 232.554688 MB of memory in use. ENERGY: 1773200 3948.7252 20406.6902 14578.5479 248.1296 -203895.4634 2911.5381 0.0000 0.0000 52252.3721 -109549.4603 300.2951 -161801.8324 -109193.4747 298.9056 -11.3029 15.3016 760594.4026 12.0801 12.2379 PRESSURE: 1773400 -42.3864 -27.962 -144.745 -27.9616 -2.5943 -216.789 -144.744 -216.79 -347.215 GPRESSURE: 1773400 -46.9366 -58.1835 -13.498 -5.8817 -1.56585 -209.892 -165.032 -142.501 -259.284 PRESSAVG: 1773400 13.8461 20.9055 -7.65232 20.9054 -22.8752 -49.9365 -7.65233 -49.9366 5.75964 GPRESSAVG: 1773400 14.1072 21.4326 -7.19966 21.7748 -21.7422 -49.8945 -6.59583 -48.887 4.64596 TIMING: 1773400 CPU: 5677.02, 0.00315321/step Wall: 5677.02, 0.00315321/step, 2.82615 hours remaining, 232.554688 MB of memory in use. ENERGY: 1773400 4095.0687 20494.6073 14462.4871 230.0552 -203367.7746 2664.7332 0.0000 0.0000 51932.5149 -109488.3083 298.4569 -161420.8232 -109132.9265 298.6596 -130.7318 -102.5955 760721.2507 -1.0898 -0.9963 PRESSURE: 1773600 -256.36 7.11488 -162.273 7.11504 -125.568 -17.6381 -162.274 -17.6373 -5.01201 GPRESSURE: 1773600 -166.196 -99.359 -133.387 108.444 -93.5782 -47.2988 -7.83895 67.0477 -34.7434 PRESSAVG: 1773600 44.8455 6.66004 49.1604 6.66007 -55.6898 -27.5369 49.1604 -27.5369 5.49877 GPRESSAVG: 1773600 44.302 6.90299 49.5709 6.07705 -56.6637 -27.7891 47.988 -29.8445 6.89838 TIMING: 1773600 CPU: 5677.65, 0.00317577/step Wall: 5677.65, 0.00317577/step, 2.8462 hours remaining, 232.554688 MB of memory in use. ENERGY: 1773600 3996.1219 20606.1935 14586.5995 256.7896 -203236.0079 2464.8710 0.0000 0.0000 51714.7383 -109610.6941 297.2053 -161325.4324 -109257.2251 299.4773 -128.9800 -98.1726 761905.1324 -1.7819 -1.8211 PRESSURE: 1773800 78.2248 -109.31 20.3936 -109.31 -176.642 63.5137 20.3928 63.5152 -153.836 GPRESSURE: 1773800 170.132 -78.6081 2.41682 -165.917 -149.98 -11.9453 152.831 -86.9184 -191.445 PRESSAVG: 1773800 -5.74998 -14.3192 65.3479 -14.3192 21.6203 -18.7716 65.3479 -18.7716 -12.6134 GPRESSAVG: 1773800 -5.5011 -14.0412 64.1781 -13.3565 21.3067 -20.2394 65.2664 -16.853 -12.2417 TIMING: 1773800 CPU: 5678.29, 0.00318282/step Wall: 5678.29, 0.00318282/step, 2.85233 hours remaining, 232.554688 MB of memory in use. ENERGY: 1773800 4007.3748 20491.6037 14507.8552 236.2657 -203645.2365 2560.8132 0.0000 0.0000 52158.7377 -109682.5861 299.7570 -161841.3238 -109316.6880 299.2428 -84.0844 -57.0977 760867.8478 1.0856 1.1880 PRESSURE: 1774000 -316.659 89.8221 117.496 89.8224 207.629 -127.3 117.497 -127.3 -94.983 GPRESSURE: 1774000 -238.956 129.931 79.6312 84.3437 207.434 -165.721 151.373 -131.744 -79.599 PRESSAVG: 1774000 43.9085 -15.6569 33.6491 -15.6569 -16.5792 29.5209 33.6491 29.5209 0.66499 GPRESSAVG: 1774000 44.0645 -15.2476 32.2394 -17.0088 -14.991 30.3214 35.6515 27.1577 -1.76679 TIMING: 1774000 CPU: 5678.93, 0.00318556/step Wall: 5678.93, 0.00318556/step, 2.85461 hours remaining, 232.554688 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: 1774000 3955.3706 20522.6516 14523.6382 240.0073 -203482.3850 2573.1286 0.0000 0.0000 51870.3499 -109797.2388 298.0996 -161667.5887 -109427.9257 298.8709 -68.0043 -37.0404 761394.0028 9.3314 9.1022 PRESSURE: 1774200 62.7737 -145.447 82.8283 -145.447 -109.909 265.257 82.828 265.255 367.123 GPRESSURE: 1774200 132.199 -235.759 165.83 -53.134 -66.0996 244.849 82.8871 265.131 351.066 PRESSAVG: 1774200 -31.7541 -3.10772 31.2469 -3.10769 18.0516 -66.4749 31.2469 -66.4749 -1.13995 GPRESSAVG: 1774200 -31.0894 -5.45305 33.3279 -1.77139 16.4092 -65.4888 29.3264 -64.1331 0.0589809 TIMING: 1774200 CPU: 5679.57, 0.00319343/step Wall: 5679.57, 0.00319343/step, 2.86149 hours remaining, 232.554688 MB of memory in use. ENERGY: 1774200 3898.3046 20425.2315 14535.3475 250.5012 -202974.6705 2352.2243 0.0000 0.0000 51923.7326 -109589.3286 298.4064 -161513.0613 -109226.6858 298.3802 106.6624 139.0549 761160.5242 -4.9475 -4.8737 PRESSURE: 1774400 177.172 -33.9861 36.9216 -33.9858 110.487 4.21701 36.9213 4.21768 274.953 GPRESSURE: 1774400 207.589 109.345 122.62 46.2102 153.709 -13.7388 116.605 -34.4137 286.645 PRESSAVG: 1774400 38.7405 -38.8788 18.9465 -38.8788 -21.4369 -2.78044 18.9465 -2.78037 5.53522 GPRESSAVG: 1774400 37.5971 -36.1962 19.2455 -37.4224 -20.1245 -1.95241 19.0474 -2.74464 5.34196 TIMING: 1774400 CPU: 5680.2, 0.00318734/step Wall: 5680.2, 0.00318734/step, 2.85585 hours remaining, 232.554688 MB of memory in use. ENERGY: 1774400 3956.5327 20429.7999 14519.3772 236.6839 -203104.5401 2467.0871 0.0000 0.0000 51993.2001 -109501.8592 298.8056 -161495.0593 -109131.1550 299.4618 187.5375 215.9811 760735.4009 7.6130 7.6049 PRESSURE: 1774600 -122.438 -39.8541 -84.6806 -39.8551 -185.243 130.587 -84.6809 130.588 126.792 GPRESSURE: 1774600 -79.3135 -48.5943 -111.826 55.4079 -174.146 143.429 -112.422 -43.3056 167.648 PRESSAVG: 1774600 17.8568 -9.53021 4.7566 -9.53028 -67.9925 -37.3371 4.75666 -37.337 -26.5964 GPRESSAVG: 1774600 17.881 -10.9566 4.27114 -9.33728 -68.0583 -36.7973 4.93206 -39.8936 -26.1586 TIMING: 1774600 CPU: 5680.83, 0.00315327/step Wall: 5680.83, 0.00315327/step, 2.82515 hours remaining, 232.554688 MB of memory in use. ENERGY: 1774600 3975.4571 20382.5572 14504.1464 254.7189 -202953.7058 2267.0643 0.0000 0.0000 51954.1671 -109615.5949 298.5813 -161569.7620 -109245.8324 298.7546 -60.2961 -28.6038 760598.3099 -25.5774 -25.4453 PRESSURE: 1774800 146.364 21.2459 -5.70586 21.2459 106.676 -67.2797 -5.70616 -67.2804 409.556 GPRESSURE: 1774800 171.418 -93.1923 -49.4062 -59.982 164.729 -8.02683 39.1532 -38.8449 418.714 PRESSAVG: 1774800 67.1986 -35.2381 -15.496 -35.2381 -40.9724 14.7108 -15.4959 14.7108 4.39402 GPRESSAVG: 1774800 68.2408 -34.6141 -15.7071 -37.3519 -41.6556 12.7031 -14.7197 18.5401 3.76293 TIMING: 1774800 CPU: 5681.47, 0.00315655/step Wall: 5681.47, 0.00315655/step, 2.82792 hours remaining, 232.554688 MB of memory in use. ENERGY: 1774800 3898.6517 20672.6723 14494.2278 229.2367 -203675.0028 2769.4393 0.0000 0.0000 52011.0881 -109599.6868 298.9084 -161610.7749 -109241.1469 298.7788 220.8655 251.6201 760337.5061 10.2068 10.1160 PRESSURE: 1775000 -516.732 -128.599 -90.9001 -128.599 -198.991 304.712 -90.9003 304.712 -149.559 GPRESSURE: 1775000 -474.235 -99.5124 -22.14 -209.569 -176.936 286.542 -158.262 351.31 -119.259 PRESSAVG: 1775000 -10.836 -6.74469 4.03826 -6.74468 15.399 75.6443 4.0382 75.6443 7.72152 GPRESSAVG: 1775000 -10.9973 -6.46964 4.60039 -8.23634 15.4019 76.5848 3.02667 75.0441 7.78383 TIMING: 1775000 CPU: 5682.1, 0.0031804/step Wall: 5682.1, 0.0031804/step, 2.84911 hours remaining, 232.757812 MB of memory in use. ENERGY: 1775000 3991.7602 20448.4536 14570.2418 236.5616 -203003.9406 2230.8236 0.0000 0.0000 51868.8285 -109657.2713 298.0909 -161526.0998 -109283.3392 299.1351 -288.4276 -256.8099 762965.5012 4.0949 4.0628 PRESSURE: 1775200 -187.925 -7.79077 352.762 -7.79052 14.7854 -24.5877 352.761 -24.5862 264.302 GPRESSURE: 1775200 -97.981 29.923 422.998 22.0502 3.60884 -104.643 270.837 -5.40786 281.25 PRESSAVG: 1775200 -86.3632 1.42411 71.1003 1.42415 13.5541 63.6845 71.1003 63.6845 -10.7435 GPRESSAVG: 1775200 -85.766 1.89383 71.4919 2.50427 13.2437 64.6166 69.8133 61.3241 -10.5871 TIMING: 1775200 CPU: 5682.74, 0.00318325/step Wall: 5682.74, 0.00318325/step, 2.85149 hours remaining, 232.757812 MB of memory in use. ENERGY: 1775200 4016.7558 20531.6905 14501.2105 232.8798 -203098.5041 2346.9508 0.0000 0.0000 52067.8367 -109401.1800 299.2346 -161469.0167 -109032.9156 299.0682 30.3873 62.2927 760480.7543 -27.8509 -27.7031 PRESSURE: 1775400 -290.12 -218.776 -56.632 -218.776 -270.873 81.9275 -56.6316 81.9281 -434.469 GPRESSURE: 1775400 -207.651 -308.103 -60.4336 -174.823 -296.575 58.3474 2.32005 -32.075 -409.135 PRESSAVG: 1775400 -53.0279 -29.8499 -13.6203 -29.8499 14.6863 -12.2014 -13.6203 -12.2013 -8.10778 GPRESSAVG: 1775400 -53.0478 -31.204 -13.0112 -30.0365 14.4639 -13.4033 -10.0374 -11.5957 -7.55917 TIMING: 1775400 CPU: 5683.37, 0.00318007/step Wall: 5683.37, 0.00318007/step, 2.84846 hours remaining, 232.757812 MB of memory in use. ENERGY: 1775400 4057.6099 20713.2682 14441.4482 257.3163 -202893.0506 2094.5892 0.0000 0.0000 52125.7291 -109203.0898 299.5673 -161328.8189 -108843.0920 299.8507 -331.8211 -304.4536 761099.9009 -15.4831 -15.3811 PRESSURE: 1775600 -166.851 -35.5352 -67.8356 -35.5357 187.936 -131.763 -67.8364 -131.763 -287.518 GPRESSURE: 1775600 -92.2295 -50.644 -71.1232 -46.4983 179.927 -75.8155 -90.9479 -148.198 -287.416 PRESSAVG: 1775600 -19.7171 -21.9118 13.8819 -21.9119 47.0234 -7.32168 13.8818 -7.32173 -17.4331 GPRESSAVG: 1775600 -19.8275 -20.7059 13.655 -21.265 47.5736 -5.59694 11.826 -8.52695 -17.9558 TIMING: 1775600 CPU: 5684.01, 0.00317098/step Wall: 5684.01, 0.00317098/step, 2.84014 hours remaining, 232.757812 MB of memory in use. ENERGY: 1775600 3987.1114 20708.7850 14523.9522 231.8713 -203273.3336 2593.4684 0.0000 0.0000 51982.8143 -109245.3309 298.7459 -161228.1452 -108882.3977 300.0464 -88.8111 -66.5730 760294.7155 3.2911 3.2634 PRESSURE: 1775800 -157.286 -35.4289 108.875 -35.429 30.7491 -298.585 108.875 -298.585 3.82258 GPRESSURE: 1775800 -112.697 -47.3235 92.684 73.5463 44.3575 -376.825 52.2389 -246.25 13.6259 PRESSAVG: 1775800 3.65286 -3.71708 0.670747 -3.7171 16.9771 -17.0121 0.670767 -17.0121 0.456384 GPRESSAVG: 1775800 5.40678 -2.95537 0.275984 -3.31036 15.8003 -18.7019 1.48551 -14.7159 0.214356 TIMING: 1775800 CPU: 5684.65, 0.00320185/step Wall: 5684.65, 0.00320185/step, 2.86761 hours remaining, 232.757812 MB of memory in use. ENERGY: 1775800 3909.8650 20436.0259 14455.3870 244.6715 -203062.5146 2413.1968 0.0000 0.0000 52071.5458 -109531.8227 299.2559 -161603.3685 -109149.7563 299.3127 -40.9048 -18.2377 762576.2456 7.0288 7.1405 PRESSURE: 1776000 -128.369 49.7633 -178.041 49.7641 -155.186 -87.3829 -178.042 -87.3825 169.332 GPRESSURE: 1776000 -83.7603 -68.5163 -146.599 38.0277 -128.677 28.3038 -171.348 -140.89 179.109 PRESSAVG: 1776000 11.8474 35.4282 28.8672 35.4282 -46.2014 49.4098 28.8672 49.4099 26.3965 GPRESSAVG: 1776000 10.2246 31.5509 29.5233 34.695 -44.6926 52.2412 27.4757 46.6297 26.1458 TIMING: 1776000 CPU: 5685.29, 0.003192/step Wall: 5685.29, 0.003192/step, 2.85861 hours remaining, 232.757812 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: 1776000 3950.8764 20477.0357 14479.4990 228.3490 -203098.4377 2391.4894 0.0000 0.0000 52190.5794 -109380.6088 299.9400 -161571.1882 -109018.5980 299.4072 -38.0747 -11.1095 760576.2094 -2.6525 -2.7740 PRESSURE: 1776200 -74.0126 -2.9138 88.8227 -2.91342 6.0733 43.0607 88.8229 43.0612 -78.6045 GPRESSURE: 1776200 -61.4341 63.6986 13.7502 22.9836 103.115 7.81403 230.518 50.9604 -93.8122 PRESSAVG: 1776200 -8.26444 27.7289 -5.90432 27.7288 16.7173 12.4302 -5.90436 12.4301 4.63264 GPRESSAVG: 1776200 -8.94707 31.0074 -6.81867 28.4316 16.274 9.41778 -5.24676 13.6454 6.16266 TIMING: 1776200 CPU: 5685.92, 0.00316824/step Wall: 5685.92, 0.00316824/step, 2.83716 hours remaining, 232.757812 MB of memory in use. ENERGY: 1776200 3968.4267 20532.5708 14588.6796 231.9505 -202922.2604 2177.5260 0.0000 0.0000 51951.2439 -109471.8630 298.5645 -161423.1069 -109108.1259 300.0675 -48.8479 -17.3772 760036.3314 4.3618 4.4965 LDB: ============= START OF LOAD BALANCING ============== 5698.34 LDB: ============== END OF LOAD BALANCING =============== 5698.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5698.35 LDB: ============= START OF LOAD BALANCING ============== 5698.66 LDB: Largest compute 7074 load 0.035062 is 17.9% of average load 0.195410 LDB: Average compute 0.004416 is 2.3% of average load 0.195410 LDB: TIME 5698.67 LOAD: AVG 0.19541 MAX 0.21394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.07 MB LDB: TIME 5698.67 LOAD: AVG 0.19541 MAX 0.21394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: TIME 5698.67 LOAD: AVG 0.19541 MAX 0.21394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: ============== END OF LOAD BALANCING =============== 5698.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5698.67 PRESSURE: 1776400 87.2656 8.06764 269.493 8.06658 -97.5718 250.881 269.494 250.881 -151.177 GPRESSURE: 1776400 28.2246 -27.0937 350.701 24.2376 7.15806 258.615 287.957 115.019 -101.477 PRESSAVG: 1776400 -29.1508 0.827876 46.7794 0.82785 39.8594 34.6011 46.7793 34.6011 3.21462 GPRESSAVG: 1776400 -29.166 -0.20566 49.2925 0.179727 40.5145 34.175 46.8763 36.4837 1.60408 TIMING: 1776400 CPU: 5686.57, 0.00323136/step Wall: 5686.57, 0.00323136/step, 2.8935 hours remaining, 231.312500 MB of memory in use. ENERGY: 1776400 3868.4422 20537.0902 14513.4495 253.6063 -202668.6739 2143.8850 0.0000 0.0000 52101.4890 -109250.7118 299.4280 -161352.2008 -108897.3776 299.2469 -53.8277 -22.0314 762457.1705 4.6411 4.3175 PRESSURE: 1776600 -162.696 -71.7463 -140.429 -71.7456 -12.8546 148.141 -140.429 148.144 -209.996 GPRESSURE: 1776600 -22.9337 -41.1044 -178.686 -150.447 -75.7504 170.902 -100.982 144.117 -199.483 PRESSAVG: 1776600 -11.7299 29.8141 15.5854 29.8142 16.9761 -2.30306 15.5854 -2.30303 16.0656 GPRESSAVG: 1776600 -10.8939 30.2366 14.6064 28.0271 16.5261 -0.617588 14.8196 -3.80228 16.3082 TIMING: 1776600 CPU: 5687.21, 0.00319341/step Wall: 5687.21, 0.00319341/step, 2.85934 hours remaining, 231.312500 MB of memory in use. ENERGY: 1776600 4022.2837 20550.2674 14457.5135 252.0875 -203349.2102 2315.0432 0.0000 0.0000 52429.6489 -109322.3661 301.3139 -161752.0150 -108958.0288 299.5431 -128.5154 -99.3889 762410.2819 7.1039 7.3135 PRESSURE: 1776800 -155.8 167.269 183.687 167.268 -24.3667 64.4461 183.688 64.4465 85.6073 GPRESSURE: 1776800 12.394 163.424 219.632 158.414 -71.4911 100.874 157.922 143.057 62.1012 PRESSAVG: 1776800 6.29608 16.2549 0.562706 16.2548 36.3007 2.14071 0.562676 2.14071 -17.0362 GPRESSAVG: 1776800 5.9076 15.3255 -0.623187 19.6723 35.9689 3.11414 1.79646 1.29139 -16.6468 TIMING: 1776800 CPU: 5687.84, 0.00319291/step Wall: 5687.84, 0.00319291/step, 2.85872 hours remaining, 231.312500 MB of memory in use. ENERGY: 1776800 3979.2216 20467.4472 14487.7212 259.1532 -203226.9258 2464.6206 0.0000 0.0000 52163.2989 -109405.4631 299.7832 -161568.7619 -109038.9210 299.6267 -31.5198 1.0014 761289.4237 8.5202 8.4099 PRESSURE: 1777000 -51.6565 60.5803 132.724 60.5814 -109.984 45.6859 132.723 45.6855 -189.195 GPRESSURE: 1777000 -11.8167 169.524 234.005 7.02173 -52.2439 -56.8842 60.8648 136.969 -194.766 PRESSAVG: 1777000 -23.9786 23.9556 5.09406 23.9556 -2.64248 67.1114 5.09407 67.1114 27.1543 GPRESSAVG: 1777000 -23.8174 25.266 6.55067 23.2807 -2.68564 65.2208 3.46166 69.5423 27.5207 TIMING: 1777000 CPU: 5688.48, 0.00318035/step Wall: 5688.48, 0.00318035/step, 2.8473 hours remaining, 231.312500 MB of memory in use. ENERGY: 1777000 3941.4618 20470.5128 14505.8098 254.6297 -203216.8270 2322.7141 0.0000 0.0000 52334.3983 -109387.3005 300.7665 -161721.6988 -109031.8348 299.3784 -116.9449 -86.2755 762110.0773 0.1777 0.3392 PRESSURE: 1777200 -3.27223 106.289 69.6436 106.29 -311.033 48.6551 69.6431 48.6563 -242.437 GPRESSURE: 1777200 4.09814 59.4031 -25.1443 -85.8536 -259.011 67.5486 111.931 -41.2252 -200.515 PRESSAVG: 1777200 26.003 -1.65512 -8.35736 -1.65508 0.39603 -24.3039 -8.35732 -24.3039 2.9849 GPRESSAVG: 1777200 25.3521 -3.87052 -8.66531 -1.05995 0.178513 -22.124 -8.30087 -25.9105 4.18864 TIMING: 1777200 CPU: 5689.11, 0.00315809/step Wall: 5689.11, 0.00315809/step, 2.82719 hours remaining, 231.312500 MB of memory in use. ENERGY: 1777200 4057.7320 20742.1943 14446.7965 265.9555 -203499.3312 2441.1353 0.0000 0.0000 52015.0844 -109530.4332 298.9314 -161545.5175 -109169.4964 299.5429 -185.5806 -151.8092 759779.3344 9.7946 9.9064 PRESSURE: 1777400 -423.023 257.259 -38.9431 257.258 -9.15803 167.171 -38.9434 167.171 -78.2796 GPRESSURE: 1777400 -363.655 336.653 5.12776 205.5 24.7526 260.492 -11.3735 61.4464 -70.6518 PRESSAVG: 1777400 5.96233 39.4886 38.6218 39.4886 -15.3863 31.7309 38.6218 31.7309 -7.59724 GPRESSAVG: 1777400 7.38068 41.5261 38.9089 37.5556 -15.9698 30.3172 39.3939 32.1576 -8.35133 TIMING: 1777400 CPU: 5689.75, 0.00319261/step Wall: 5689.75, 0.00319261/step, 2.85792 hours remaining, 231.312500 MB of memory in use. ENERGY: 1777400 4032.4311 20573.7024 14564.6382 237.0498 -203566.9379 2558.2744 0.0000 0.0000 52135.8465 -109464.9956 299.6254 -161600.8420 -109103.8390 299.4863 -170.1534 -136.5181 759035.6791 -5.6737 -5.6468 PRESSURE: 1777600 409 -5.07483 -95.262 -5.07621 86.3482 -85.6132 -95.2613 -85.6122 -50.8406 GPRESSURE: 1777600 422.45 27.2874 49.3318 53.4873 80.2403 -90.5422 55.8137 -30.3996 24.2101 PRESSAVG: 1777600 23.9677 17.5719 -24.5084 17.5719 32.4419 8.40253 -24.5083 8.40253 -9.15928 GPRESSAVG: 1777600 22.8692 14.962 -24.1131 19.2844 33.2194 7.4259 -25.3537 9.71457 -8.60385 TIMING: 1777600 CPU: 5690.38, 0.00316689/step Wall: 5690.38, 0.00316689/step, 2.83472 hours remaining, 231.312500 MB of memory in use. ENERGY: 1777600 3994.5069 20546.5897 14496.5744 240.7322 -203771.4938 2948.2762 0.0000 0.0000 52032.4960 -109512.3183 299.0315 -161544.8143 -109135.6501 299.5551 148.1694 175.6334 760566.6760 15.7501 15.8283 PRESSURE: 1777800 -209.987 -52.5006 102.991 -52.5005 -29.1565 67.6344 102.99 67.634 -330.346 GPRESSURE: 1777800 -214.587 3.28613 12.088 -120.152 54.7904 25.9884 142.536 -9.49516 -317.579 PRESSAVG: 1777800 8.7294 -18.4465 27.7766 -18.4465 13.4284 -1.49815 27.7767 -1.49819 -11.3813 GPRESSAVG: 1777800 8.77489 -15.2244 26.6995 -19.6677 13.0596 -0.682216 28.5375 -3.4277 -11.3033 TIMING: 1777800 CPU: 5691.02, 0.00319395/step Wall: 5691.02, 0.00319395/step, 2.85876 hours remaining, 231.312500 MB of memory in use. ENERGY: 1777800 4012.3996 20693.1516 14454.5844 223.1527 -203543.4680 2463.2803 0.0000 0.0000 52050.5110 -109646.3885 299.1350 -161696.8995 -109287.1098 299.1505 -189.8297 -159.1250 762967.6831 3.5922 3.5104 PRESSURE: 1778000 -78.2214 -63.7683 171.25 -63.7687 -125.999 -96.082 171.251 -96.0823 -98.2452 GPRESSURE: 1778000 -113.432 -40.2292 86.9887 -16.9136 -41.4955 -160.576 52.1033 -115.517 -27.4018 PRESSAVG: 1778000 -6.5631 -19.1776 74.7439 -19.1776 17.8057 6.36864 74.7438 6.36874 -5.03327 GPRESSAVG: 1778000 -7.05918 -19.7569 73.909 -18.5402 19.2739 5.1233 75.1398 8.18541 -5.98223 TIMING: 1778000 CPU: 5691.66, 0.00317838/step Wall: 5691.66, 0.00317838/step, 2.84465 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1778000 3962.3837 20532.1232 14498.4111 244.2650 -203228.0780 2353.0759 0.0000 0.0000 51932.8595 -109704.9595 298.4589 -161637.8190 -109345.7889 298.5458 -100.8218 -60.7764 763585.9664 2.0698 2.0775 PRESSURE: 1778200 -298.613 31.1097 61.1759 31.1094 -123.406 -97.0122 61.1756 -97.0119 -299.03 GPRESSURE: 1778200 -216.758 -37.7557 -24.9281 -87.7436 -131.485 -61.736 26.627 60.2057 -287.446 PRESSAVG: 1778200 -12.0982 -11.4483 -28.6137 -11.4483 10.2304 -29.3992 -28.6137 -29.3992 -1.30663 GPRESSAVG: 1778200 -11.8316 -11.7681 -26.7817 -12.532 9.08637 -29.0964 -31.7794 -29.7128 -0.83689 TIMING: 1778200 CPU: 5692.29, 0.0031748/step Wall: 5692.29, 0.0031748/step, 2.84127 hours remaining, 231.312500 MB of memory in use. ENERGY: 1778200 3952.7689 20458.6464 14546.1492 224.2963 -203287.3961 2340.6275 0.0000 0.0000 52029.4781 -109735.4296 299.0141 -161764.9077 -109374.2567 298.5982 -240.3498 -211.8962 761084.1964 -1.0581 -1.1940 PRESSURE: 1778400 245.972 -217.492 58.8567 -217.493 495.134 -376.97 58.8563 -376.97 258.791 GPRESSURE: 1778400 395.474 -174.072 -18.8668 -234.887 417.028 -312.757 144.207 -276.753 283.737 PRESSAVG: 1778400 52.6526 -28.7453 21.7761 -28.7453 -55.6387 -7.77665 21.7761 -7.7766 2.7138 GPRESSAVG: 1778400 53.9662 -28.0269 21.4129 -27.8618 -56.8899 -7.65003 23.2298 -7.61154 2.27392 TIMING: 1778400 CPU: 5692.93, 0.00317144/step Wall: 5692.93, 0.00317144/step, 2.83809 hours remaining, 231.312500 MB of memory in use. ENERGY: 1778400 3944.8849 20623.9058 14553.6867 238.8789 -204068.7491 2905.9994 0.0000 0.0000 52176.2938 -109625.0994 299.8579 -161801.3932 -109263.4115 298.7100 333.2990 365.4126 760534.6129 -0.0908 -0.2166 PRESSURE: 1778600 -150.268 -138.734 -5.86872 -138.734 -272.606 -81.2725 -5.86801 -81.2725 -44.3407 GPRESSURE: 1778600 -129.67 -102.958 -5.34029 -88.3017 -288.688 -111.239 -32.8378 -109.222 54.951 PRESSAVG: 1778600 82.2347 -18.1996 -33.8789 -18.1996 5.36955 -39.667 -33.8788 -39.667 -8.88183 GPRESSAVG: 1778600 81.8292 -18.1249 -34.8058 -18.5364 6.04705 -38.8787 -33.0398 -40.3423 -9.28561 TIMING: 1778600 CPU: 5693.56, 0.00317815/step Wall: 5693.56, 0.00317815/step, 2.84391 hours remaining, 231.312500 MB of memory in use. ENERGY: 1778600 3941.9177 20662.9448 14488.0254 256.4962 -203212.1664 2273.7568 0.0000 0.0000 52084.8861 -109504.1395 299.3326 -161589.0255 -109137.5796 299.6123 -155.7382 -121.1358 758772.9646 26.2408 26.1969 PRESSURE: 1778800 81.5029 246.85 125.547 246.849 -293.186 323.911 125.547 323.911 -631.664 GPRESSURE: 1778800 151.836 88.8057 125.648 340.523 -275.529 302.794 -39.6718 261.175 -625.615 PRESSAVG: 1778800 6.31438 33.6286 -14.1354 33.6286 13.5918 -20.8566 -14.1354 -20.8567 -11.9718 GPRESSAVG: 1778800 4.91218 33.2355 -14.7124 32.9487 14.1742 -19.8167 -13.605 -21.544 -10.9301 TIMING: 1778800 CPU: 5694.2, 0.00320219/step Wall: 5694.2, 0.00320219/step, 2.86524 hours remaining, 231.312500 MB of memory in use. ENERGY: 1778800 3954.1541 20623.2991 14558.9684 247.4180 -203176.1737 2003.4970 0.0000 0.0000 52255.4438 -109533.3933 300.3128 -161788.8371 -109167.8033 299.5266 -281.1158 -249.7693 759960.3704 2.6448 2.7188 PRESSURE: 1779000 -264.645 70.7157 -85.7017 70.7161 -271.195 -34.4514 -85.7023 -34.4513 -310.345 GPRESSURE: 1779000 -232.06 107.481 -88.096 50.4098 -225.306 -133.54 -24.1054 -32.1447 -299.674 PRESSAVG: 1779000 -43.9962 7.15922 45.5557 7.15931 68.5047 5.87101 45.5557 5.87105 2.84979 GPRESSAVG: 1779000 -42.7624 6.66051 47.0983 8.53271 67.7721 5.66616 44.1073 7.27357 1.82543 TIMING: 1779000 CPU: 5694.84, 0.00318026/step Wall: 5694.84, 0.00318026/step, 2.84545 hours remaining, 231.312500 MB of memory in use. ENERGY: 1779000 3979.3233 20456.3882 14505.5764 257.4888 -202999.7479 2076.7678 0.0000 0.0000 52144.9964 -109579.2070 299.6780 -161724.2033 -109214.0116 299.6778 -282.0618 -252.3467 761906.6705 9.1194 8.9450 PRESSURE: 1779200 -142.52 -48.499 -73.0206 -48.4989 -510.503 -106.051 -73.0208 -106.052 -267.712 GPRESSURE: 1779200 -59.0092 -25.0704 -9.61214 -147.657 -436.715 -2.41496 -114.308 -16.2954 -344.077 PRESSAVG: 1779200 -14.5603 -38.8931 5.6942 -38.8931 -13.1884 -4.56149 5.69418 -4.56147 10.1535 GPRESSAVG: 1779200 -14.3643 -38.1281 5.51663 -38.0676 -13.5331 -4.19692 5.28172 -6.1385 9.94892 TIMING: 1779200 CPU: 5695.47, 0.00316251/step Wall: 5695.47, 0.00316251/step, 2.82939 hours remaining, 231.312500 MB of memory in use. ENERGY: 1779200 3979.4720 20420.3475 14499.2728 230.0787 -203230.9693 2113.4929 0.0000 0.0000 52186.7039 -109801.6016 299.9177 -161988.3054 -109442.8458 298.9964 -306.9115 -279.9337 760048.0163 -5.8651 -5.9828 PRESSURE: 1779400 -125.645 52.0629 99.6744 52.0622 -75.0283 -8.84374 99.6741 -8.84393 -273.216 GPRESSURE: 1779400 -65.7475 110.004 140.643 -10.496 -41.2977 -29.8472 213.596 51.2961 -289.749 PRESSAVG: 1779400 -0.210417 -31.9597 17.6743 -31.9598 -8.26344 -14.9511 17.6743 -14.9512 1.36014 GPRESSAVG: 1779400 -0.0149679 -32.6938 15.7549 -32.8338 -8.10769 -17.0327 19.0934 -13.7383 1.51152 TIMING: 1779400 CPU: 5696.11, 0.00317127/step Wall: 5696.11, 0.00317127/step, 2.83705 hours remaining, 231.312500 MB of memory in use. ENERGY: 1779400 3999.4373 20567.8698 14482.1828 253.6247 -203302.4882 2265.5238 0.0000 0.0000 51704.6959 -110029.1539 297.1476 -161733.8498 -109667.2376 298.2947 -157.9629 -132.2647 760765.6811 -2.3712 -2.2037 PRESSURE: 1779600 -236.136 34.9712 -89.2836 34.9722 -80.2198 46.9082 -89.2833 46.908 120.467 GPRESSURE: 1779600 -178.938 -84.16 -132.777 26.5472 -136.265 23.73 -13.2337 -8.73202 193.328 PRESSAVG: 1779600 -11.5407 7.76287 32.9004 7.76278 -31.052 14.4681 32.9004 14.4681 -2.54742 GPRESSAVG: 1779600 -12.0982 7.80169 32.0372 8.38295 -30.2954 15.5535 34.9847 14.1169 -1.96326 TIMING: 1779600 CPU: 5696.74, 0.00317432/step Wall: 5696.74, 0.00317432/step, 2.8396 hours remaining, 231.312500 MB of memory in use. ENERGY: 1779600 3954.7884 20496.1300 14513.4103 256.9731 -203656.4947 2502.9597 0.0000 0.0000 52219.1251 -109713.1082 300.1040 -161932.2333 -109348.2649 298.9271 -65.2963 -40.6252 758967.5146 -15.0467 -14.7856 PRESSURE: 1779800 39.8432 -80.509 -121.196 -80.5088 -330.642 -45.8502 -121.196 -45.8503 -193.085 GPRESSURE: 1779800 12.8041 -114.765 -68.0675 -13.7748 -187.387 -69.2977 -96.5677 -39.8194 -222.469 PRESSAVG: 1779800 4.63651 -5.48997 16.4578 -5.48988 -8.9558 -12.9063 16.4578 -12.9064 -12.1734 GPRESSAVG: 1779800 3.92856 -5.85275 16.651 -6.09397 -8.32353 -13.2997 14.5127 -10.3569 -12.0507 TIMING: 1779800 CPU: 5697.38, 0.00318181/step Wall: 5697.38, 0.00318181/step, 2.84613 hours remaining, 231.312500 MB of memory in use. ENERGY: 1779800 4094.5026 20583.2414 14538.7822 249.2331 -203628.2779 2572.3821 0.0000 0.0000 52126.7146 -109463.4218 299.5729 -161590.1364 -109110.1660 299.1943 -161.2945 -132.3505 760587.1270 -5.4976 -5.4819 PRESSURE: 1780000 94.9391 147.195 130.184 147.194 339.283 135.202 130.184 135.202 157.046 GPRESSURE: 1780000 94.8506 139.969 117.252 104.476 333.852 126.632 92.4831 24.0364 243.858 PRESSAVG: 1780000 17.2939 -12.0931 -27.6361 -12.0931 7.93177 -51.6946 -27.6361 -51.6945 4.25164 GPRESSAVG: 1780000 18.1294 -11.9644 -27.1837 -10.6398 6.65819 -51.4957 -27.3885 -53.1709 5.11666 TIMING: 1780000 CPU: 5698.01, 0.00315677/step Wall: 5698.01, 0.00315677/step, 2.82356 hours remaining, 231.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1780000 4069.1716 20646.5829 14388.1802 264.8380 -203632.6398 2604.5514 0.0000 0.0000 52008.9077 -109650.4081 298.8959 -161659.3159 -109283.8885 299.6217 197.0892 224.1867 760853.9781 9.8258 9.9681 PRESSURE: 1780200 -464.36 46.5624 293.42 46.5619 -111.533 176.139 293.42 176.139 -296.494 GPRESSURE: 1780200 -364.87 5.55141 300.603 55.0369 -166.248 95.1207 176.366 90.3033 -238.711 PRESSAVG: 1780200 -51.0309 23.4879 28.5878 23.4879 61.8581 29.0562 28.5878 29.0563 31.5142 GPRESSAVG: 1780200 -51.664 22.7923 29.1473 22.5036 62.1081 30.1225 28.8025 30.5235 31.7027 TIMING: 1780200 CPU: 5698.65, 0.00318041/step Wall: 5698.65, 0.00318041/step, 2.84453 hours remaining, 231.312500 MB of memory in use. ENERGY: 1780200 4043.3994 20470.6031 14518.6541 250.0443 -203359.7899 2367.9428 0.0000 0.0000 51803.3492 -109905.7969 297.7146 -161709.1461 -109540.7935 298.7969 -290.7960 -256.6096 760475.0450 14.1138 14.0489 LDB: ============= START OF LOAD BALANCING ============== 5711.07 LDB: ============== END OF LOAD BALANCING =============== 5711.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5711.07 LDB: ============= START OF LOAD BALANCING ============== 5711.39 LDB: Largest compute 7033 load 0.038540 is 19.7% of average load 0.195366 LDB: Average compute 0.004424 is 2.3% of average load 0.195366 LDB: TIME 5711.4 LOAD: AVG 0.195366 MAX 0.217404 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.344 MB LDB: TIME 5711.4 LOAD: AVG 0.195366 MAX 0.217404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.414 MB LDB: TIME 5711.4 LOAD: AVG 0.195366 MAX 0.217404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.414 MB LDB: ============== END OF LOAD BALANCING =============== 5711.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5711.41 PRESSURE: 1780400 -212.588 -60.4349 212.13 -60.4347 104.162 31.8874 212.13 31.887 -404.695 GPRESSURE: 1780400 -125.837 -158.169 224.975 -78.6451 143.448 82.8807 234.467 -12.2219 -433.769 PRESSAVG: 1780400 -49.2771 -21.5102 18.7761 -21.5101 46.4439 -18.6831 18.7761 -18.6831 10.1332 GPRESSAVG: 1780400 -47.7069 -22.4713 19.7744 -20.5329 47.4043 -18.0742 17.8984 -21.2485 8.05775 TIMING: 1780400 CPU: 5699.3, 0.00326954/step Wall: 5699.3, 0.00326954/step, 2.92406 hours remaining, 230.085938 MB of memory in use. ENERGY: 1780400 3995.2145 20528.0701 14518.8952 258.6993 -203168.1755 2231.1327 0.0000 0.0000 51755.0743 -109881.0894 297.4371 -161636.1637 -109526.7563 298.5426 -171.0403 -138.7191 759683.8920 2.4334 2.5850 PRESSURE: 1780600 -172.196 -236.152 29.1056 -236.152 -225.408 -205.094 29.1057 -205.094 -112.916 GPRESSURE: 1780600 -153.213 -222.462 -16.2195 -231.003 -187.369 -146.817 -41.1338 -277.011 -47.8266 PRESSAVG: 1780600 -17.0305 -14.854 -7.61995 -14.854 24.5057 28.5687 -7.61996 28.5688 7.39036 GPRESSAVG: 1780600 -19.5707 -12.7107 -8.80147 -15.7105 24.7 28.169 -6.90803 28.9617 9.13913 TIMING: 1780600 CPU: 5699.94, 0.00318553/step Wall: 5699.94, 0.00318553/step, 2.84875 hours remaining, 230.085938 MB of memory in use. ENERGY: 1780600 3979.5834 20494.8546 14582.6348 242.0262 -203331.4298 2433.0677 0.0000 0.0000 51896.5458 -109702.7173 298.2502 -161599.2631 -109345.6248 299.3439 -170.1736 -129.4694 760309.3747 4.9552 4.7562 PRESSURE: 1780800 -27.124 112.802 -32.5832 112.803 -433.716 -84.9795 -32.5832 -84.978 239.525 GPRESSURE: 1780800 46.8112 125.723 -81.6364 35.7309 -352.628 -121.392 -50.0599 -154.401 164.168 PRESSAVG: 1780800 -23.0344 -48.177 9.47247 -48.177 8.26077 12.6043 9.47249 12.6043 -16.5779 GPRESSAVG: 1780800 -21.5694 -50.9485 8.78138 -46.9136 8.53318 10.449 10.8352 12.6259 -18.4046 TIMING: 1780800 CPU: 5700.57, 0.00316939/step Wall: 5700.57, 0.00316939/step, 2.83414 hours remaining, 230.085938 MB of memory in use. ENERGY: 1780800 3957.7443 20475.3995 14571.0064 254.3937 -203404.4904 2389.3312 0.0000 0.0000 51845.9266 -109910.6888 297.9593 -161756.6154 -109539.2301 299.0898 -73.7717 -47.2164 760876.9583 -10.4505 -10.4803 PRESSURE: 1781000 -185.522 -150.332 -111.312 -150.332 -372.177 295.209 -111.312 295.211 -657.948 GPRESSURE: 1781000 -159.213 -92.9031 -125.052 -108.778 -329.522 270.474 -147.21 218.164 -644.408 PRESSAVG: 1781000 10.6746 -74.312 30.8532 -74.312 -5.80615 20.9978 30.853 20.9978 5.75251 GPRESSAVG: 1781000 9.9654 -73.4794 30.8769 -77.1531 -6.63433 21.3194 28.4193 23.3756 7.11799 TIMING: 1781000 CPU: 5701.21, 0.00317421/step Wall: 5701.21, 0.00317421/step, 2.83827 hours remaining, 230.085938 MB of memory in use. ENERGY: 1781000 4018.6724 20685.0741 14453.9212 244.6387 -203504.5960 2335.8821 0.0000 0.0000 51767.5701 -109998.8373 297.5089 -161766.4074 -109637.7618 298.6422 -405.2158 -377.7143 759873.7558 3.5403 3.4830 PRESSURE: 1781200 100.004 141.416 194.887 141.416 -48.9893 -131.835 194.886 -131.835 103.802 GPRESSURE: 1781200 122.63 222.763 160.723 121.515 16.9949 -82.996 195.656 -59.0417 109.467 PRESSAVG: 1781200 -33.0909 11.9462 11.4137 11.9462 28.2823 -7.17606 11.4137 -7.17611 8.51752 GPRESSAVG: 1781200 -33.7849 13.4512 13.7761 12.213 28.5551 -7.09647 11.7058 -6.55515 9.40691 TIMING: 1781200 CPU: 5701.84, 0.00316332/step Wall: 5701.84, 0.00316331/step, 2.82835 hours remaining, 230.085938 MB of memory in use. ENERGY: 1781200 3978.2527 20341.6466 14529.7949 239.6508 -203693.3175 2595.7976 0.0000 0.0000 52110.4855 -109897.6894 299.4797 -162008.1749 -109528.6340 298.3849 51.6056 83.0308 760788.3681 1.2363 1.3924 PRESSURE: 1781400 174.209 -94.6143 -93.3614 -94.6147 -203.53 10.4944 -93.3614 10.4947 103.334 GPRESSURE: 1781400 235.46 -196.835 -119.117 -35.0131 -151.562 5.21967 -9.23715 78.268 84.9174 PRESSAVG: 1781400 29.4716 -11.3515 48.9364 -11.3515 -31.7073 49.74 48.9364 49.74 7.96944 GPRESSAVG: 1781400 29.2386 -12.2426 45.9909 -9.24294 -31.1137 51.5303 49.6327 49.0419 7.3697 TIMING: 1781400 CPU: 5702.47, 0.00317249/step Wall: 5702.47, 0.00317249/step, 2.83638 hours remaining, 230.085938 MB of memory in use. ENERGY: 1781400 4015.3130 20416.4930 14551.0037 245.9226 -203644.8462 2599.2463 0.0000 0.0000 51878.4944 -109938.3731 298.1464 -161816.8676 -109577.4516 298.6063 24.6710 56.2718 760064.8490 1.9113 1.8315 PRESSURE: 1781600 -33.2563 -120.563 70.6319 -120.563 19.1059 139.018 70.6326 139.019 -97.6874 GPRESSURE: 1781600 28.2798 -179.787 82.5042 -27.0756 -6.37612 7.32629 -19.9731 73.4367 -65.1236 PRESSAVG: 1781600 -15.0627 -41.517 -11.461 -41.5171 11.3773 0.414809 -11.461 0.414702 -8.1768 GPRESSAVG: 1781600 -14.8675 -42.7759 -10.5049 -41.7207 9.90605 0.284768 -10.5319 -0.998222 -7.85173 TIMING: 1781600 CPU: 5703.11, 0.0031889/step Wall: 5703.11, 0.0031889/step, 2.85088 hours remaining, 230.085938 MB of memory in use. ENERGY: 1781600 3986.8669 20490.1695 14505.3113 246.8895 -203529.8135 2496.6131 0.0000 0.0000 51967.2195 -109836.7437 298.6563 -161803.9632 -109476.5845 298.4428 -37.2793 -14.4067 761132.3201 -3.9541 -4.2711 PRESSURE: 1781800 -421.504 108.387 -59.4797 108.387 -67.8873 91.6336 -59.4794 91.6342 -293.175 GPRESSURE: 1781800 -378.394 164.521 -72.0582 113.601 -102.748 83.4222 -146.943 92.0613 -210.286 PRESSAVG: 1781800 -3.67442 -78.5989 0.532287 -78.5989 20.3221 -8.24738 0.532322 -8.24737 21.4889 GPRESSAVG: 1781800 -3.91614 -78.2647 0.467588 -78.3078 20.5571 -7.41321 -0.765907 -10.3351 21.2215 TIMING: 1781800 CPU: 5703.75, 0.0031841/step Wall: 5703.75, 0.0031841/step, 2.84641 hours remaining, 230.085938 MB of memory in use. ENERGY: 1781800 3973.1511 20380.5491 14499.3877 249.2316 -202817.4833 2185.5454 0.0000 0.0000 51952.8912 -109576.7273 298.5740 -161529.6184 -109202.3669 299.2945 -260.8555 -230.4759 761840.3320 12.7122 12.6208 PRESSURE: 1782000 174.476 -101.909 -75.4171 -101.908 244.827 240.819 -75.4164 240.82 288.568 GPRESSURE: 1782000 160.224 -169.231 -57.1568 -79.6495 297.928 267.584 -139.439 241.287 338.636 PRESSAVG: 1782000 34.0119 -48.686 17.3952 -48.686 -4.54176 -2.22941 17.3953 -2.22946 -3.14946 GPRESSAVG: 1782000 34.2035 -46.4226 17.4446 -49.6401 -4.03235 -3.1302 17.9328 1.01427 -3.41583 TIMING: 1782000 CPU: 5704.38, 0.00317388/step Wall: 5704.38, 0.00317388/step, 2.83709 hours remaining, 230.085938 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: 1782000 3970.6599 20530.7104 14477.4043 242.1018 -203021.9824 2286.1731 0.0000 0.0000 51969.3022 -109545.6305 298.6683 -161514.9327 -109183.6480 299.1902 235.9572 265.5961 758975.6942 8.7735 8.9184 PRESSURE: 1782200 194.945 193.899 189.259 193.899 -119.694 -150.109 189.258 -150.109 95.4178 GPRESSURE: 1782200 260.328 166.533 241.505 91.909 -101.986 -116.389 1.63256 -121.436 106.645 PRESSAVG: 1782200 -2.60303 -24.4304 50.0485 -24.4304 9.88629 -6.74292 50.0485 -6.74286 -19.1108 GPRESSAVG: 1782200 -1.68753 -25.1865 49.9876 -24.0038 8.8366 -5.69802 48.9219 -8.8134 -18.7534 TIMING: 1782200 CPU: 5705.02, 0.00317635/step Wall: 5705.02, 0.00317635/step, 2.83913 hours remaining, 230.085938 MB of memory in use. ENERGY: 1782200 3917.4324 20484.1715 14505.2101 231.2369 -203259.8307 2474.7048 0.0000 0.0000 52092.1229 -109554.9521 299.3741 -161647.0750 -109192.0447 299.6652 56.8897 88.3294 759177.6229 -3.9425 -3.8681 PRESSURE: 1782400 -23.4008 -39.9061 85.1713 -39.9059 -310.671 184.009 85.1717 184.008 -577.746 GPRESSURE: 1782400 22.7692 -73.7712 130.327 -31.5054 -301.284 260.544 190.919 51.3129 -554.442 PRESSAVG: 1782400 -5.91112 4.53636 37.2118 4.53643 28.4861 10.3874 37.2118 10.3874 -4.8959 GPRESSAVG: 1782400 -7.60364 3.47296 37.6936 4.3081 30.3259 9.75614 35.6562 10.9641 -5.05318 TIMING: 1782400 CPU: 5705.66, 0.00319078/step Wall: 5705.66, 0.00319078/step, 2.85184 hours remaining, 230.085938 MB of memory in use. ENERGY: 1782400 3987.5562 20578.1185 14502.0034 240.1491 -203020.2165 2152.8934 0.0000 0.0000 52138.4109 -109421.0849 299.6402 -161559.4958 -109062.9177 299.6056 -303.9390 -277.6521 761296.9245 5.8930 5.8897 PRESSURE: 1782600 38.4742 -75.8705 100.973 -75.8707 -97.7067 -231.236 100.972 -231.236 32.051 GPRESSURE: 1782600 39.3491 -173.495 70.6836 -108.239 -69.0565 -270.7 138.254 -173.114 119.374 PRESSAVG: 1782600 -15.3262 12.8173 38.8598 12.8173 6.20865 -5.37866 38.8598 -5.37867 -5.464 GPRESSAVG: 1782600 -15.4552 14.5809 37.6524 12.2922 5.48151 -5.28052 40.534 -5.31909 -4.58841 TIMING: 1782600 CPU: 5706.29, 0.00318435/step Wall: 5706.29, 0.00318435/step, 2.84592 hours remaining, 230.085938 MB of memory in use. ENERGY: 1782600 3984.6510 20481.1515 14467.9614 270.6552 -203156.8738 2351.6251 0.0000 0.0000 52104.7188 -109496.1109 299.4465 -161600.8297 -109131.3131 299.5632 -9.0605 29.8888 760314.7227 -4.8605 -4.8540 PRESSURE: 1782800 -31.3268 33.2638 -60.7593 33.2633 154.086 148.803 -60.7592 148.804 151.36 GPRESSURE: 1782800 -21.3093 45.9645 59.742 -16.5272 265.602 125.35 -51.844 131.757 130.046 PRESSAVG: 1782800 -82.5554 5.0168 2.59797 5.01687 64.8525 -7.43869 2.59802 -7.43862 -12.8395 GPRESSAVG: 1782800 -82.4081 0.756426 3.53363 6.28371 65.2642 -7.83025 2.24757 -6.71381 -13.4673 TIMING: 1782800 CPU: 5706.93, 0.00320815/step Wall: 5706.93, 0.00320815/step, 2.86701 hours remaining, 230.085938 MB of memory in use. ENERGY: 1782800 3961.4799 20653.4689 14502.4449 262.9734 -203457.1377 2574.7260 0.0000 0.0000 51998.9688 -109503.0758 298.8388 -161502.0445 -109154.3553 299.7145 91.3729 124.7796 760747.6994 -10.1808 -10.2037 PRESSURE: 1783000 -219.931 216.993 69.607 216.994 238.104 36.7145 69.6062 36.7156 155.787 GPRESSURE: 1783000 -191.046 174.351 85.0882 136.523 282.583 64.815 10.9579 106.595 170.898 PRESSAVG: 1783000 -68.0116 -21.2654 -26.5452 -21.2655 60.018 -50.0479 -26.5452 -50.0478 13.3758 GPRESSAVG: 1783000 -67.8812 -18.601 -26.9708 -21.9909 59.596 -51.1374 -26.4165 -50.6711 13.2853 TIMING: 1783000 CPU: 5707.57, 0.0031866/step Wall: 5707.57, 0.0031866/step, 2.84758 hours remaining, 230.085938 MB of memory in use. ENERGY: 1783000 3939.0462 20583.8587 14465.1395 240.3186 -203565.3719 2702.2223 0.0000 0.0000 52232.3454 -109402.4412 300.1800 -161634.7867 -109044.5770 299.4483 57.9865 87.4781 760495.0909 1.7941 1.6667 PRESSURE: 1783200 81.7615 -4.78644 0.491948 -4.7851 -101.631 -15.0696 0.491428 -15.0689 24.622 GPRESSURE: 1783200 110.077 -83.1298 -109.707 -139.203 -89.0715 -47.8252 25.3883 -31.6425 65.6635 PRESSAVG: 1783200 -30.0818 -41.4701 -14.063 -41.4701 35.0648 -2.94941 -14.0631 -2.94934 21.8602 GPRESSAVG: 1783200 -29.975 -41.3661 -14.506 -42.7143 34.0534 -2.37176 -15.5286 -4.73456 22.5864 TIMING: 1783200 CPU: 5708.21, 0.00317621/step Wall: 5708.21, 0.00317621/step, 2.83812 hours remaining, 230.085938 MB of memory in use. ENERGY: 1783200 3980.4490 20616.3350 14487.4589 257.9510 -203511.8240 2620.1582 0.0000 0.0000 52256.6243 -109292.8476 300.3195 -161549.4719 -108926.8419 300.0422 1.5840 28.8898 760284.1256 8.9477 8.8883 PRESSURE: 1783400 93.7556 59.069 89.373 59.069 -38.0937 -165.742 89.3731 -165.742 382.934 GPRESSURE: 1783400 159.992 60.7814 53.0126 60.3625 -33.7219 -223.453 137.128 -33.7941 390.101 PRESSAVG: 1783400 49.8529 6.95398 -15.5554 6.95395 -28.9554 -17.7379 -15.5554 -17.738 7.07046 GPRESSAVG: 1783400 50.2346 7.67619 -15.0229 8.32813 -28.8604 -19.5467 -14.5883 -16.3017 6.4431 TIMING: 1783400 CPU: 5708.85, 0.00322161/step Wall: 5708.85, 0.00322161/step, 2.87851 hours remaining, 230.085938 MB of memory in use. ENERGY: 1783400 4011.3996 20473.4640 14471.4406 259.2561 -203188.9299 2627.9272 0.0000 0.0000 51968.0729 -109377.3694 298.6612 -161345.4423 -109015.3802 299.9010 146.1986 172.1235 760065.5107 9.3227 9.2724 PRESSURE: 1783600 -118.792 -35.5167 -60.6066 -35.5167 50.914 -148.035 -60.6064 -148.035 -268.63 GPRESSURE: 1783600 -203.052 -11.9043 -48.3468 -75.115 102.701 -184.681 -121.104 -73.3474 -140.021 PRESSAVG: 1783600 17.6062 -56.3784 13.1857 -56.3785 -43.9707 -55.7784 13.1856 -55.7784 -7.3913 GPRESSAVG: 1783600 18.3419 -54.5338 14.7418 -57.197 -43.4834 -52.7913 13.0241 -55.4625 -7.93437 TIMING: 1783600 CPU: 5709.49, 0.00318456/step Wall: 5709.49, 0.00318456/step, 2.84523 hours remaining, 230.085938 MB of memory in use. ENERGY: 1783600 4036.4694 20481.3270 14478.3977 236.0007 -203287.0296 2374.2126 0.0000 0.0000 52381.8096 -109298.8125 301.0390 -161680.6221 -108919.0759 299.9785 -112.1695 -80.1241 759609.0098 -11.2519 -11.0253 PRESSURE: 1783800 31.3591 -85.7981 -52.0074 -85.798 173.813 12.8889 -52.0074 12.8872 -300.382 GPRESSURE: 1783800 16.4658 -25.3777 -66.4695 -9.86316 209.429 -24.9203 -66.4396 -143.207 -230.81 PRESSAVG: 1783800 -12.5301 -73.1275 -19.3582 -73.1275 32.2904 -9.15106 -19.3582 -9.15102 34.778 GPRESSAVG: 1783800 -13.2217 -76.7119 -22.5829 -72.7171 32.0391 -10.664 -18.406 -11.0724 35.3605 TIMING: 1783800 CPU: 5710.13, 0.00322688/step Wall: 5710.13, 0.00322688/step, 2.88286 hours remaining, 230.085938 MB of memory in use. ENERGY: 1783800 4029.3600 20462.8331 14515.2486 249.5680 -202966.9564 2270.1876 0.0000 0.0000 51986.5593 -109453.1998 298.7675 -161439.7591 -109086.2626 300.2188 -31.7367 -1.6383 758862.5875 18.1794 18.0593 PRESSURE: 1784000 20.8264 -191.37 -2.23865 -191.37 -264.255 8.16178 -2.23929 8.16117 -410.804 GPRESSURE: 1784000 21.6205 -152.937 -21.1487 -241.533 -204.713 25.1238 50.8353 92.9749 -389.517 PRESSAVG: 1784000 9.12973 -57.0588 44.0468 -57.0589 -4.62313 -41.5325 44.0468 -41.5324 -24.7656 GPRESSAVG: 1784000 9.33321 -56.8036 44.8163 -56.5266 -3.93926 -41.2883 42.9292 -40.4043 -25.4993 TIMING: 1784000 CPU: 5710.78, 0.00321518/step Wall: 5710.78, 0.00321518/step, 2.87223 hours remaining, 230.085938 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: 1784000 4061.0124 20488.8548 14499.8739 260.7660 -203242.4381 2334.6114 0.0000 0.0000 51854.3527 -109742.9668 298.0077 -161597.3196 -109375.7692 299.4776 -218.0775 -190.8697 758599.2015 -6.7530 -6.7018 PRESSURE: 1784200 22.1469 -90.0457 -137.106 -90.0461 -38.3799 13.9754 -137.105 13.9763 -315.14 GPRESSURE: 1784200 115.78 -118.974 -126.561 -197.861 -89.7211 -3.89286 -210.484 90.5555 -276.778 PRESSAVG: 1784200 15.8799 -38.5097 -19.5763 -38.5097 -9.08778 -1.98567 -19.5763 -1.98564 -7.16184 GPRESSAVG: 1784200 16.1399 -36.6073 -18.7006 -39.7612 -9.6237 -0.296211 -19.2027 -1.22995 -6.90125 TIMING: 1784200 CPU: 5711.42, 0.00320281/step Wall: 5711.42, 0.00320281/step, 2.861 hours remaining, 230.085938 MB of memory in use. ENERGY: 1784200 4019.0091 20604.7157 14447.1593 247.3055 -203316.3866 2328.9067 0.0000 0.0000 51914.8455 -109754.4447 298.3553 -161669.2903 -109393.0828 299.0029 -110.4576 -83.5730 760059.6633 -0.1232 -0.1283 LDB: ============= START OF LOAD BALANCING ============== 5723.85 LDB: ============== END OF LOAD BALANCING =============== 5723.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5723.85 LDB: ============= START OF LOAD BALANCING ============== 5724.17 LDB: Largest compute 7033 load 0.036712 is 18.8% of average load 0.195412 LDB: Average compute 0.004399 is 2.3% of average load 0.195412 LDB: TIME 5724.17 LOAD: AVG 0.195412 MAX 0.214911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.367 MB LDB: TIME 5724.17 LOAD: AVG 0.195412 MAX 0.214911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: TIME 5724.17 LOAD: AVG 0.195412 MAX 0.214911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: ============== END OF LOAD BALANCING =============== 5724.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5724.18 PRESSURE: 1784400 260.165 48.7977 209.462 48.7977 2.74813 -233.158 209.463 -233.157 2.87708 GPRESSURE: 1784400 284.971 93.3917 163.805 -52.7628 51.8776 -221.547 178.957 -254.361 37.3145 PRESSAVG: 1784400 6.1244 -75.4093 -33.0625 -75.4093 -15.5305 -20.3333 -33.0625 -20.3333 15.1956 GPRESSAVG: 1784400 4.53435 -75.5186 -32.8714 -77.5801 -15.5648 -22.2117 -32.3199 -19.6463 16.8377 TIMING: 1784400 CPU: 5712.08, 0.00329533/step Wall: 5712.08, 0.00329533/step, 2.94346 hours remaining, 231.628906 MB of memory in use. ENERGY: 1784400 3979.1149 20490.3489 14480.9046 244.0237 -203294.7594 2244.6240 0.0000 0.0000 52340.1620 -109515.5814 300.7996 -161855.7434 -109143.5732 299.1570 88.5966 124.7211 756961.6270 1.9298 1.9358 PRESSURE: 1784600 -19.5552 55.7073 31.9343 55.7071 -117.777 -23.7618 31.9346 -23.7623 196.569 GPRESSURE: 1784600 42.8358 9.83227 112.148 -12.6003 -119.444 55.8362 -18.9482 219.363 228.901 PRESSAVG: 1784600 38.1406 -46.2734 -21.5713 -46.2733 -13.8013 9.58834 -21.5714 9.5884 17.2978 GPRESSAVG: 1784600 39.7018 -49.5686 -22.6236 -41.728 -15.1132 10.0802 -22.1799 10.3719 17.1015 TIMING: 1784600 CPU: 5712.72, 0.00322021/step Wall: 5712.72, 0.00322021/step, 2.87618 hours remaining, 231.628906 MB of memory in use. ENERGY: 1784600 3986.4391 20400.1489 14552.8190 242.7208 -203136.8626 2030.7593 0.0000 0.0000 52362.2215 -109561.7539 300.9264 -161923.9755 -109183.5690 299.7542 19.7457 50.7644 757545.5881 13.8790 13.8967 PRESSURE: 1784800 -212.175 -37.4996 163.722 -37.4999 74.6455 360.378 163.722 360.378 580.151 GPRESSURE: 1784800 -187.332 -46.6439 22.8052 -2.20327 126.359 462.757 203.89 337.048 591.22 PRESSAVG: 1784800 23.2359 -28.8739 46.5356 -28.8739 -43.5396 43.0072 46.5356 43.0071 12.0548 GPRESSAVG: 1784800 22.8106 -26.9222 46.3492 -30.2277 -42.5174 43.9323 47.569 42.7697 10.8193 TIMING: 1784800 CPU: 5713.37, 0.00323947/step Wall: 5713.37, 0.00323947/step, 2.89321 hours remaining, 231.628906 MB of memory in use. ENERGY: 1784800 3968.7047 20402.6296 14513.6809 244.7990 -203009.2843 2374.4593 0.0000 0.0000 52041.9317 -109463.0791 299.0857 -161505.0108 -109098.0816 299.6462 147.5404 176.7490 760812.5227 -2.7496 -2.9625 PRESSURE: 1785000 447.859 16.4787 -93.275 16.4782 124.056 226.972 -93.2744 226.972 669.345 GPRESSURE: 1785000 420.826 37.2751 -185.094 -0.396158 191.821 242.818 -48.9678 102.425 715.209 PRESSAVG: 1785000 42.9771 -57.4677 25.2492 -57.4678 -60.1535 44.5913 25.2492 44.5912 -15.1224 GPRESSAVG: 1785000 43.5396 -58.0501 24.7325 -56.581 -60.7123 44.3033 24.7732 40.4981 -15.5366 TIMING: 1785000 CPU: 5714.01, 0.00320028/step Wall: 5714.01, 0.00320028/step, 2.85802 hours remaining, 231.628906 MB of memory in use. ENERGY: 1785000 4070.9256 20572.3826 14531.4332 259.8316 -203585.4108 2760.9327 0.0000 0.0000 51826.7760 -109563.1290 297.8492 -161389.9050 -109200.3347 299.4636 413.7534 442.6189 759016.1069 -10.7663 -10.9031 PRESSURE: 1785200 194.346 -158.968 209.25 -158.969 168.177 -246.128 209.251 -246.129 67.7933 GPRESSURE: 1785200 129.049 -0.138491 222.926 -113.917 263.742 -317.965 172.731 -161.725 131.695 PRESSAVG: 1785200 13.3699 -77.001 6.08155 -77.0009 18.9496 25.317 6.08149 25.317 15.7936 GPRESSAVG: 1785200 12.9469 -77.7316 6.27473 -78.0577 18.6022 25.383 5.31757 25.968 17.0252 TIMING: 1785200 CPU: 5714.64, 0.00317935/step Wall: 5714.64, 0.00317935/step, 2.83916 hours remaining, 231.628906 MB of memory in use. ENERGY: 1785200 4000.8754 20682.4202 14544.0069 255.0690 -203371.1693 2490.8945 0.0000 0.0000 52013.1898 -109384.7135 298.9205 -161397.9033 -109017.7720 299.2913 143.4388 174.8287 759565.8336 16.0377 16.1914 PRESSURE: 1785400 89.4496 -2.01734 81.7794 -2.01771 18.3324 -179.85 81.7801 -179.85 -299.478 GPRESSURE: 1785400 24.2446 83.3105 45.5177 -29.5842 100.06 -148.463 247.112 -99.7749 -223.329 PRESSAVG: 1785400 35.842 20.4325 -37.2432 20.4325 -42.4714 -32.3086 -37.2431 -32.3086 -1.28527 GPRESSAVG: 1785400 34.3304 20.1253 -36.2905 22.9968 -41.6388 -33.2857 -36.9235 -30.1127 -0.872729 TIMING: 1785400 CPU: 5715.28, 0.00319473/step Wall: 5715.28, 0.00319473/step, 2.85272 hours remaining, 231.628906 MB of memory in use. ENERGY: 1785400 3972.3473 20580.8144 14569.8308 251.0300 -202874.8451 2136.4302 0.0000 0.0000 52081.1135 -109283.2790 299.3109 -161364.3924 -108910.8809 299.4777 -63.8986 -33.0079 760751.6430 -2.6382 -2.7270 PRESSURE: 1785600 206.177 -107.456 96.0999 -107.457 61.2482 57.4113 96.1 57.4109 233.469 GPRESSURE: 1785600 297.909 -174.772 116.409 -59.2001 87.0652 -34.2257 -64.35 52.112 210.993 PRESSAVG: 1785600 51.4286 -43.2924 4.68413 -43.2924 -17.9801 18.3959 4.68414 18.3959 14.0535 GPRESSAVG: 1785600 53.7771 -43.3088 3.03213 -44.8936 -20.0097 18.5768 4.93426 18.0148 13.6156 TIMING: 1785600 CPU: 5715.92, 0.00318554/step Wall: 5715.92, 0.00318554/step, 2.84433 hours remaining, 231.628906 MB of memory in use. ENERGY: 1785600 3992.2374 20676.9303 14436.7610 247.1041 -203434.1928 2773.1096 0.0000 0.0000 52263.8148 -109044.2356 300.3609 -161308.0504 -108674.3342 299.9822 166.9648 198.6557 760306.0023 15.8340 15.7943 PRESSURE: 1785800 -279.29 -20.4255 -206.682 -20.425 41.1367 -31.9496 -206.682 -31.9499 -192.002 GPRESSURE: 1785800 -245.701 3.52063 -164.855 4.32806 65.8727 -10.8295 -346.157 -187.402 -164.2 PRESSAVG: 1785800 24.8644 -13.5699 32.6056 -13.5699 8.79217 9.11069 32.6056 9.11074 3.79468 GPRESSAVG: 1785800 25.2156 -12.3428 33.0292 -15.6824 10.4092 8.64772 33.8396 8.29099 2.22816 TIMING: 1785800 CPU: 5716.55, 0.00316991/step Wall: 5716.55, 0.00316991/step, 2.8302 hours remaining, 231.628906 MB of memory in use. ENERGY: 1785800 4072.4099 20606.8506 14606.3494 250.7052 -203316.3716 2402.6542 0.0000 0.0000 52008.0426 -109369.3597 298.8909 -161377.4023 -109012.5353 300.2669 -143.3852 -114.6762 760067.1930 12.4838 12.6177 PRESSURE: 1786000 -195.292 30.2158 300.058 30.2159 35.9846 31.9647 300.059 31.9638 -152.124 GPRESSURE: 1786000 -231.359 45.7863 286.419 -61.9504 28.6492 -50.517 171.474 -8.81544 -25.6336 PRESSAVG: 1786000 -36.9261 7.81131 31.8869 7.81138 29.4061 -9.18514 31.8868 -9.18513 -2.09796 GPRESSAVG: 1786000 -38.0197 8.71525 31.4304 9.43313 27.9038 -7.50076 29.359 -12.5388 -0.406173 TIMING: 1786000 CPU: 5717.19, 0.00318012/step Wall: 5717.19, 0.00318012/step, 2.83914 hours remaining, 231.628906 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: 1786000 3993.1602 20588.3703 14490.0861 255.6722 -203412.6566 2478.1956 0.0000 0.0000 52079.0796 -109528.0925 299.2992 -161607.1721 -109174.7506 300.1222 -103.8106 -76.1144 760782.6497 -3.2060 -3.5074 PRESSURE: 1786200 -57.3109 -97.082 -57.2155 -97.0813 -43.0333 -8.8848 -57.2156 -8.88521 45.621 GPRESSURE: 1786200 -81.0418 -162.617 -0.7986 -55.7758 38.8144 0.853831 -63.9893 5.03978 72.6287 PRESSAVG: 1786200 -50.3081 7.66624 26.1006 7.66617 26.3766 -30.2657 26.1006 -30.2657 32.4876 GPRESSAVG: 1786200 -51.0768 5.56156 27.9898 9.12782 27.8914 -31.5177 27.4634 -26.6607 31.6077 TIMING: 1786200 CPU: 5717.83, 0.00318506/step Wall: 5717.83, 0.00318506/step, 2.84337 hours remaining, 231.628906 MB of memory in use. ENERGY: 1786200 4056.1755 20474.5081 14613.1328 235.5659 -203631.7782 2422.7993 0.0000 0.0000 52093.4369 -109736.1598 299.3817 -161829.5966 -109371.5986 299.5695 -18.2411 10.1338 760072.0427 2.8520 2.8074 PRESSURE: 1786400 -55.5744 120.89 -92.1723 120.89 -18.1572 61.9762 -92.1729 61.9761 -383.872 GPRESSURE: 1786400 -23.0762 163.086 -30.1219 106.244 34.0376 119.062 -160.122 29.6301 -377.807 PRESSAVG: 1786400 -33.5641 -4.22003 34.3554 -4.22004 60.4505 22.3079 34.3554 22.3079 15.3594 GPRESSAVG: 1786400 -32.9458 -4.02431 34.355 -5.01008 59.7469 20.2411 34.5187 21.0195 14.9719 TIMING: 1786400 CPU: 5718.46, 0.00318328/step Wall: 5718.46, 0.00318328/step, 2.84161 hours remaining, 231.628906 MB of memory in use. ENERGY: 1786400 3981.2900 20418.3718 14530.7693 263.3959 -203456.2279 2416.2779 0.0000 0.0000 52071.6295 -109774.4935 299.2564 -161846.1230 -109406.4045 298.9023 -152.5345 -122.2820 760219.0064 14.0819 13.9243 PRESSURE: 1786600 244.908 -130.303 -436.621 -130.303 470.573 237.321 -436.621 237.321 272.498 GPRESSURE: 1786600 295.37 -63.8386 -386.66 -85.737 419.802 213.144 -414.342 162.289 333.42 PRESSAVG: 1786600 -20.8102 20.6415 1.61792 20.6416 25.3296 4.39953 1.61793 4.39958 -8.2469 GPRESSAVG: 1786600 -21.6433 21.8313 0.67987 20.0472 23.9506 7.60478 1.65379 5.62458 -6.70241 TIMING: 1786600 CPU: 5719.1, 0.00318224/step Wall: 5719.1, 0.00318224/step, 2.8405 hours remaining, 231.628906 MB of memory in use. ENERGY: 1786600 3932.2411 20546.1691 14542.9781 262.3267 -203490.5132 2478.0928 0.0000 0.0000 52106.3928 -109622.3126 299.4562 -161728.7054 -109257.1750 299.0532 329.3266 349.5307 759216.9832 -1.2425 -1.4651 PRESSURE: 1786800 -48.1211 96.7861 -2.88313 96.7861 -154.042 -3.21624 -2.88256 -3.21554 91.4986 GPRESSURE: 1786800 25.9316 107.187 21.7393 83.1889 -125.281 77.9159 -127.601 -8.08114 75.559 PRESSAVG: 1786800 -6.1002 -21.5778 -1.16122 -21.5777 -36.9404 -19.7719 -1.16118 -19.7719 13.1349 GPRESSAVG: 1786800 -5.20566 -24.0738 -0.817005 -23.6837 -36.2244 -20.1666 -1.44417 -19.2594 11.3736 TIMING: 1786800 CPU: 5719.74, 0.00321012/step Wall: 5719.74, 0.00321012/step, 2.86521 hours remaining, 231.628906 MB of memory in use. ENERGY: 1786800 3925.2417 20522.3342 14509.2361 244.4663 -203748.7965 2735.5490 0.0000 0.0000 52134.2548 -109677.7144 299.6163 -161811.9692 -109310.0407 299.4557 -36.8883 -7.9301 759949.4100 -9.9686 -10.0188 PRESSURE: 1787000 69.0319 185.256 149.198 185.257 -109.708 68.3127 149.197 68.312 -244.426 GPRESSURE: 1787000 160.614 110.879 229.113 76.7444 -135.274 55.339 158.337 48.957 -214.644 PRESSAVG: 1787000 11.9067 -27.4727 26.1845 -27.4728 -25.5157 32.9646 26.1845 32.9646 -13.2965 GPRESSAVG: 1787000 11.547 -26.0699 26.5353 -26.9718 -25.4396 33.6763 27.3941 28.8462 -12.9148 TIMING: 1787000 CPU: 5720.38, 0.00320972/step Wall: 5720.38, 0.00320972/step, 2.86468 hours remaining, 231.628906 MB of memory in use. ENERGY: 1787000 4041.2832 20537.0847 14521.6648 245.9699 -202913.4956 2200.9185 0.0000 0.0000 51873.7690 -109492.8056 298.1193 -161366.5746 -109130.6751 299.2460 -95.0341 -63.1014 760934.8088 -8.9685 -8.9358 PRESSURE: 1787200 105.248 3.72259 -110.044 3.72272 542.016 -370.695 -110.044 -370.694 -63.6108 GPRESSURE: 1787200 220.417 81.2325 -35.4675 -9.18696 498.842 -400.132 -247.509 -110.617 -53.7271 PRESSAVG: 1787200 23.1924 -16.0859 -24.3438 -16.0859 20.9148 -7.78433 -24.3439 -7.78434 15.2324 GPRESSAVG: 1787200 24.7995 -16.5525 -24.8487 -13.3545 19.7188 -8.75038 -26.5336 -5.82412 15.0317 TIMING: 1787200 CPU: 5721.02, 0.0031939/step Wall: 5721.02, 0.00319391/step, 2.85038 hours remaining, 231.628906 MB of memory in use. ENERGY: 1787200 3950.3556 20585.5353 14592.2819 254.6505 -203124.0007 2491.7309 0.0000 0.0000 51931.2133 -109318.2331 298.4494 -161249.4464 -108957.5880 300.1223 194.5510 221.8438 759390.7248 19.7799 19.8500 PRESSURE: 1787400 261.533 221.049 88.6333 221.049 66.1039 -260.431 88.6329 -260.431 17.9056 GPRESSURE: 1787400 212.753 274.934 75.2892 166.711 211.674 -233.142 -65.5477 -36.1337 21.2136 PRESSAVG: 1787400 -5.88807 4.61026 -35.9414 4.61024 31.2202 -18.7287 -35.9415 -18.7287 -6.94463 GPRESSAVG: 1787400 -7.72788 4.6113 -36.9468 3.97979 33.0148 -18.493 -33.5101 -16.3468 -6.19563 TIMING: 1787400 CPU: 5721.66, 0.00316615/step Wall: 5721.66, 0.00316615/step, 2.82543 hours remaining, 231.628906 MB of memory in use. ENERGY: 1787400 3982.2037 20671.6926 14470.3718 247.4669 -203909.9501 2795.4162 0.0000 0.0000 52341.0777 -109401.7212 300.8049 -161742.7989 -109053.6048 300.0284 115.1807 148.5468 759378.8234 6.1292 6.3638 PRESSURE: 1787600 31.4172 -169.718 -44.265 -169.717 -397.715 308.836 -44.265 308.836 -458.709 GPRESSURE: 1787600 81.9109 -148.777 -33.5769 -137.371 -390.781 367.421 24.6054 150.405 -441.961 PRESSAVG: 1787600 49.2404 -6.80942 -23.4899 -6.80947 -42.1401 16.1498 -23.4899 16.1499 -0.166292 GPRESSAVG: 1787600 49.5531 -7.67602 -21.7297 -7.54095 -40.995 16.2903 -24.5458 16.6541 -1.36535 TIMING: 1787600 CPU: 5722.29, 0.00318843/step Wall: 5722.29, 0.00318843/step, 2.84514 hours remaining, 231.628906 MB of memory in use. ENERGY: 1787600 4083.7425 20411.1895 14506.9245 238.4674 -203234.0768 2359.4616 0.0000 0.0000 52177.6015 -109456.6898 299.8654 -161634.2913 -109086.3014 299.7614 -275.0023 -250.2772 761657.4556 2.3113 2.3976 PRESSURE: 1787800 9.6857 -65.7181 -130.697 -65.717 112.197 190.64 -130.697 190.64 77.7766 GPRESSURE: 1787800 36.101 4.85226 -183.325 -175.921 130.485 167.02 -120.514 105.903 115.143 PRESSAVG: 1787800 57.8836 -46.4404 -18.9115 -46.4404 -56.4075 -23.8715 -18.9115 -23.8716 10.2895 GPRESSAVG: 1787800 57.424 -44.9295 -19.001 -47.0553 -57.2884 -25.4054 -19.2609 -26.3238 10.7092 TIMING: 1787800 CPU: 5722.93, 0.00319081/step Wall: 5722.93, 0.00319081/step, 2.84709 hours remaining, 231.628906 MB of memory in use. ENERGY: 1787800 4024.6125 20492.0246 14537.5082 260.3648 -203461.5909 2537.9458 0.0000 0.0000 51968.1551 -109640.9799 298.6617 -161609.1350 -109289.6800 299.1404 66.5531 93.9098 759908.7185 3.9219 3.6149 PRESSURE: 1788000 12.2891 -216.606 -29.1147 -216.605 -8.29967 -215.856 -29.1147 -215.856 25.5687 GPRESSURE: 1788000 80.3439 -134.74 45.0819 -336.877 21.3804 -265.712 -22.9887 -79.4747 27.2914 PRESSAVG: 1788000 71.535 -17.1795 -18.6921 -17.1795 -13.533 -43.603 -18.6921 -43.603 -15.0429 GPRESSAVG: 1788000 72.497 -16.9913 -20.1801 -16.9502 -14.758 -43.5764 -17.3659 -43.1724 -14.4311 TIMING: 1788000 CPU: 5723.57, 0.00319028/step Wall: 5723.57, 0.00319028/step, 2.84644 hours remaining, 231.628906 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: 1788000 3888.7974 20490.2746 14488.4201 244.9730 -203820.9521 2676.1428 0.0000 0.0000 52360.0442 -109672.3000 300.9139 -162032.3442 -109298.5712 298.9501 9.8527 43.0052 759490.5593 14.3197 14.4360 PRESSURE: 1788200 200.213 10.8826 -66.6448 10.8826 126.986 -57.472 -66.6447 -57.4729 -112.42 GPRESSURE: 1788200 238.26 -5.89051 -116.208 -18.244 174.816 -95.1787 -104.87 -12.1041 -115.247 PRESSAVG: 1788200 18.8234 -9.54126 38.9403 -9.54132 -23.1767 9.26349 38.9402 9.26348 11.9062 GPRESSAVG: 1788200 17.552 -9.89318 38.3528 -9.26291 -22.4981 10.9217 39.655 8.52585 12.4525 TIMING: 1788200 CPU: 5724.21, 0.00321558/step Wall: 5724.21, 0.00321558/step, 2.86883 hours remaining, 231.628906 MB of memory in use. ENERGY: 1788200 4000.7150 20628.0374 14516.9688 251.7116 -203635.8350 2540.4710 0.0000 0.0000 52211.2637 -109486.6675 300.0589 -161697.9312 -109129.7447 299.4776 71.5929 99.2760 760132.3666 2.5176 2.5022 LDB: ============= START OF LOAD BALANCING ============== 5736.64 LDB: ============== END OF LOAD BALANCING =============== 5736.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5736.64 LDB: ============= START OF LOAD BALANCING ============== 5736.96 LDB: Largest compute 7033 load 0.037272 is 19.1% of average load 0.195421 LDB: Average compute 0.004418 is 2.3% of average load 0.195421 LDB: TIME 5736.97 LOAD: AVG 0.195421 MAX 0.213536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.984 MB LDB: TIME 5736.97 LOAD: AVG 0.195421 MAX 0.213536 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.184 MB LDB: TIME 5736.97 LOAD: AVG 0.195421 MAX 0.213536 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.184 MB LDB: ============== END OF LOAD BALANCING =============== 5736.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5736.97 PRESSURE: 1788400 147.363 16.5956 2.44911 16.5958 429.104 49.22 2.44806 49.2193 211.829 GPRESSURE: 1788400 270.219 48.0933 -60.9422 7.16755 462.387 99.8291 -64.0138 240.339 171.651 PRESSAVG: 1788400 4.51385 -19.9504 29.5189 -19.9505 39.6285 -12.433 29.519 -12.433 -8.61968 GPRESSAVG: 1788400 5.91689 -21.2504 30.5358 -19.8638 39.0331 -13.1948 29.2675 -9.21383 -9.12137 TIMING: 1788400 CPU: 5724.87, 0.00327212/step Wall: 5724.87, 0.00327212/step, 2.9191 hours remaining, 233.679688 MB of memory in use. ENERGY: 1788400 3951.0903 20396.5039 14460.0413 249.6893 -203508.0258 2557.3169 0.0000 0.0000 52206.9729 -109686.4112 300.0342 -161893.3841 -109320.7403 299.1754 262.7654 301.4188 760124.3864 11.8409 11.9429 PRESSURE: 1788600 434.127 21.472 21.5917 21.4724 238.563 180.107 21.5924 180.107 -185.685 GPRESSURE: 1788600 432.04 -124.936 11.8512 51.7151 311.778 202.382 28.3358 80.2981 -170.579 PRESSAVG: 1788600 54.473 -16.8597 18.3904 -16.8597 -50.289 -4.90661 18.3903 -4.90659 -18.5477 GPRESSAVG: 1788600 52.2152 -16.7596 20.4067 -18.0691 -49.4358 -4.36363 17.5087 -5.58508 -18.1495 TIMING: 1788600 CPU: 5725.52, 0.00324117/step Wall: 5725.52, 0.00324117/step, 2.8913 hours remaining, 233.824219 MB of memory in use. ENERGY: 1788600 4014.7967 20465.5228 14488.4716 260.0411 -203606.2801 2764.7811 0.0000 0.0000 52117.7143 -109494.9524 299.5212 -161612.6667 -109137.1410 299.3655 162.3350 191.0796 759047.4383 -4.7879 -5.1234 PRESSURE: 1788800 -204.285 76.3299 215.145 76.3298 -265.683 -249.073 215.145 -249.073 -400.394 GPRESSURE: 1788800 -188.931 160.158 127.591 118.221 -204.756 -213.396 289.121 -251.002 -381.749 PRESSAVG: 1788800 32.5244 -33.6253 -60.1062 -33.6253 21.2765 4.26022 -60.1063 4.2602 14.9689 GPRESSAVG: 1788800 34.4856 -33.2975 -61.5471 -32.9157 20.5395 4.57396 -59.3417 1.88468 13.8624 TIMING: 1788800 CPU: 5726.15, 0.00319681/step Wall: 5726.15, 0.00319681/step, 2.85156 hours remaining, 233.824219 MB of memory in use. ENERGY: 1788800 3991.1375 20459.0005 14557.0219 230.0439 -203552.5980 2460.3107 0.0000 0.0000 52420.1558 -109434.9277 301.2594 -161855.0835 -109063.1765 299.7573 -290.1206 -258.4788 760500.5618 22.9232 22.9625 PRESSURE: 1789000 193.173 -23.7781 -135.6 -23.7781 -82.4037 229.193 -135.6 229.192 67.1865 GPRESSURE: 1789000 243.059 19.6104 -78.1401 -185.883 28.3567 150.393 -113.28 311.6 19.0045 PRESSAVG: 1789000 46.5228 10.2124 -22.4749 10.2124 -41.2794 10.0264 -22.4749 10.0264 0.180827 GPRESSAVG: 1789000 48.2412 9.63145 -22.7589 8.7964 -41.8206 10.2874 -20.2329 11.6089 -0.840287 TIMING: 1789000 CPU: 5726.8, 0.0032332/step Wall: 5726.8, 0.0032332/step, 2.88383 hours remaining, 233.824219 MB of memory in use. ENERGY: 1789000 3893.1937 20611.9225 14532.5998 232.9920 -202783.3759 2171.8536 0.0000 0.0000 52005.4307 -109335.3836 298.8759 -161340.8142 -108978.0145 299.3953 59.3186 96.8068 760860.4467 1.8081 1.8601 PRESSURE: 1789200 -238.703 -58.8927 154.825 -58.8926 -244.977 0.0903383 154.825 0.0900531 323.695 GPRESSURE: 1789200 -270.062 -55.9829 125.053 -0.816926 -166.85 59.7065 118.659 -16.4071 363.646 PRESSAVG: 1789200 87.5131 4.46251 -61.7139 4.46246 -85.244 -11.8384 -61.7139 -11.8385 -6.09918 GPRESSAVG: 1789200 85.5496 2.35969 -60.3286 6.19718 -84.359 -12.4578 -63.0727 -11.8336 -5.0444 TIMING: 1789200 CPU: 5727.45, 0.00322199/step Wall: 5727.45, 0.00322199/step, 2.87366 hours remaining, 233.824219 MB of memory in use. ENERGY: 1789200 3974.4783 20686.5212 14553.0434 276.6429 -203277.7974 2474.1125 0.0000 0.0000 52122.5825 -109190.4165 299.5492 -161312.9991 -108827.4669 299.6747 -53.3283 -24.4220 761033.5707 -1.2767 -1.2846 PRESSURE: 1789400 73.8753 -49.8429 -90.252 -49.8427 -207.581 -217.967 -90.2526 -217.967 136.631 GPRESSURE: 1789400 142.512 35.0776 -139.832 5.0108 -220.615 -266.404 -180.776 -28.4755 153.236 PRESSAVG: 1789400 81.7793 -31.5039 -43.4253 -31.504 -86.6592 2.73684 -43.4253 2.73683 1.21504 GPRESSAVG: 1789400 82.5765 -29.5438 -45.8582 -33.1341 -85.2402 3.79506 -43.4614 3.08622 -0.56394 TIMING: 1789400 CPU: 5728.09, 0.00323714/step Wall: 5728.09, 0.00323714/step, 2.88699 hours remaining, 233.824219 MB of memory in use. ENERGY: 1789400 3934.9833 20644.0194 14556.6326 243.5103 -203591.0158 2742.1161 0.0000 0.0000 52304.0890 -109165.6652 300.5923 -161469.7542 -108797.7876 300.1960 0.9752 25.0443 761181.0840 -1.2216 -1.0759 PRESSURE: 1789600 42.6656 -84.7937 -24.1308 -84.7933 -289.982 -247.282 -24.1306 -247.281 66.3176 GPRESSURE: 1789600 62.241 -22.9536 31.0535 -29.1149 -278.211 -151.088 -60.366 -156.516 108.254 PRESSAVG: 1789600 86.8906 -8.18924 -33.4264 -8.18927 -105.446 8.61593 -33.4264 8.616 27.0682 GPRESSAVG: 1789600 87.5336 -7.01676 -32.3477 -7.55263 -106.293 8.78833 -34.8606 7.12714 27.3724 TIMING: 1789600 CPU: 5728.74, 0.00322658/step Wall: 5728.74, 0.00322658/step, 2.8774 hours remaining, 233.824219 MB of memory in use. ENERGY: 1789600 4016.9528 20702.6955 14576.6479 259.1089 -203623.6290 2559.1133 0.0000 0.0000 52320.5241 -109188.5865 300.6868 -161509.1106 -108826.5808 299.9281 -60.3328 -35.9053 761654.0025 2.8374 2.8709 PRESSURE: 1789800 206.016 -82.215 108.908 -82.2153 -480.752 61.7073 108.908 61.7073 254.438 GPRESSURE: 1789800 176.766 -92.3326 90.4838 -78.4638 -356.732 5.2167 183.153 -52.5819 247.046 PRESSAVG: 1789800 131.962 -4.37882 -38.3532 -4.37883 -156.039 17.5495 -38.3532 17.5495 1.67959 GPRESSAVG: 1789800 129.128 -5.54325 -38.3429 -2.39643 -155.524 16.9285 -38.9243 17.9616 3.50104 TIMING: 1789800 CPU: 5729.39, 0.00323458/step Wall: 5729.39, 0.00323458/step, 2.88435 hours remaining, 233.824219 MB of memory in use. ENERGY: 1789800 4077.2067 20687.0753 14506.0777 255.4505 -202921.6125 2184.3579 0.0000 0.0000 51964.6267 -109246.8177 298.6414 -161211.4444 -108882.2694 299.7207 -6.7659 22.3599 761638.8068 -7.4660 -7.6318 PRESSURE: 1790000 -28.0982 152.649 -256.829 152.649 -28.2432 238.857 -256.83 238.857 -7.14163 GPRESSURE: 1790000 24.7886 72.0087 -297.836 120.759 -49.2204 234.882 -192.49 166.699 50.0473 PRESSAVG: 1790000 73.5261 -2.93231 -22.096 -2.93225 -82.1072 7.19236 -22.0959 7.19234 5.16911 GPRESSAVG: 1790000 74.9919 -3.18785 -20.4429 -4.68358 -82.7937 8.569 -20.0358 5.5131 4.12571 TIMING: 1790000 CPU: 5730.03, 0.00322032/step Wall: 5730.03, 0.00322032/step, 2.87145 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1790000 4097.5556 20647.1670 14553.4322 249.9552 -203397.3921 2716.6536 0.0000 0.0000 52050.6519 -109081.9767 299.1358 -161132.6286 -108733.2731 299.7682 -21.1610 8.5385 760551.9632 -1.1373 -1.2254 PRESSURE: 1790200 -73.6442 -132.047 -9.36032 -132.047 63.2747 -126.436 -9.36057 -126.436 -37.3284 GPRESSURE: 1790200 -120.136 -88.229 -26.3164 -285.058 67.7822 -59.6672 -10.755 -203.029 96.6527 PRESSAVG: 1790200 83.0717 28.1001 -5.43113 28.1002 -60.2232 -24.1298 -5.43116 -24.1297 14.4499 GPRESSAVG: 1790200 82.3339 28.7245 -7.24301 28.8427 -60.0731 -24.6509 -3.4494 -24.0871 15.1592 TIMING: 1790200 CPU: 5730.67, 0.00320902/step Wall: 5730.67, 0.00320902/step, 2.8612 hours remaining, 233.824219 MB of memory in use. ENERGY: 1790200 4026.9118 20572.8834 14521.9056 251.0521 -203160.0264 2611.5293 0.0000 0.0000 52086.1114 -109089.6328 299.3396 -161175.7442 -108722.8623 299.9794 -15.8993 14.7663 761853.9951 12.4328 12.4733 PRESSURE: 1790400 -151.143 77.1291 26.1921 77.1286 38.6334 32.8449 26.1919 32.8458 125.301 GPRESSURE: 1790400 -127.332 137.803 49.5386 104.997 159.574 74.0257 46.6873 79.7014 47.4117 PRESSAVG: 1790400 6.87255 1.0136 -20.5975 1.01359 -14.3591 51.6015 -20.5975 51.6015 10.9396 GPRESSAVG: 1790400 8.5265 -0.182922 -20.6555 2.62487 -16.3861 50.8581 -22.8844 51.1784 11.2747 TIMING: 1790400 CPU: 5731.31, 0.0032021/step Wall: 5731.31, 0.0032021/step, 2.85485 hours remaining, 233.824219 MB of memory in use. ENERGY: 1790400 3995.8034 20608.4205 14514.6708 237.7782 -203258.5420 2564.2076 0.0000 0.0000 52099.6477 -109238.0138 299.4174 -161337.6615 -108867.1348 299.5572 4.2638 26.5515 760469.2197 1.1510 1.1384 PRESSURE: 1790600 -142.302 -77.4006 73.1296 -77.4011 -192.341 119.688 73.1296 119.687 -188.186 GPRESSURE: 1790600 -147.918 -76.2076 -15.477 58.8165 -71.0672 113.01 35.0975 162.198 -213.385 PRESSAVG: 1790600 -8.19169 19.0242 47.103 19.0241 -39.6471 7.11872 47.103 7.11874 -5.2458 GPRESSAVG: 1790600 -9.6043 19.4983 46.408 17.6768 -38.1977 5.81081 47.8315 8.11329 -5.15853 TIMING: 1790600 CPU: 5731.96, 0.00322358/step Wall: 5731.96, 0.00322358/step, 2.87382 hours remaining, 233.824219 MB of memory in use. ENERGY: 1790600 4017.9551 20608.9434 14493.3111 237.1378 -203484.7427 2649.9481 0.0000 0.0000 52358.8169 -109118.6302 300.9068 -161477.4471 -108756.9911 299.9247 -174.2760 -144.1234 759655.8564 -17.6949 -17.6535 PRESSURE: 1790800 -37.9532 221.98 -160.644 221.98 44.1166 -190.528 -160.643 -190.529 -96.4014 GPRESSURE: 1790800 -20.58 207.003 -145.181 77.0191 92.3927 -239.16 -132.452 -61.6778 -81.9774 PRESSAVG: 1790800 25.4188 -60.8857 -8.91722 -60.8857 -35.7778 18.6601 -8.91722 18.6601 14.0876 GPRESSAVG: 1790800 25.4281 -59.3918 -8.40023 -61.5495 -35.8472 19.2893 -8.19954 21.7341 13.9626 TIMING: 1790800 CPU: 5732.6, 0.00319828/step Wall: 5732.6, 0.00319828/step, 2.85109 hours remaining, 233.824219 MB of memory in use. ENERGY: 1790800 3911.0145 20510.6864 14531.9277 242.0855 -203423.2961 2754.8151 0.0000 0.0000 52167.5788 -109305.1880 299.8078 -161472.7669 -108939.9579 299.9486 -30.0793 -3.3882 761637.6711 1.2429 1.1812 PRESSURE: 1791000 -40.9864 30.0211 -62.9588 30.0207 -60.2062 -0.158774 -62.9593 -0.159026 -145.078 GPRESSURE: 1791000 -39.8776 4.93897 -71.1145 43.9042 -9.55284 26.952 -32.5487 -117.622 -121.222 PRESSAVG: 1791000 21.809 -19.4665 12.9413 -19.4665 -18.212 22.0305 12.9413 22.0304 7.79024 GPRESSAVG: 1791000 22.7753 -18.7392 11.9032 -18.9707 -18.5832 23.4194 11.5974 18.2942 6.86723 TIMING: 1791000 CPU: 5733.24, 0.00319653/step Wall: 5733.24, 0.00319653/step, 2.84935 hours remaining, 233.824219 MB of memory in use. ENERGY: 1791000 3925.6384 20448.7140 14604.3212 251.8853 -203059.8262 2249.9326 0.0000 0.0000 52301.2700 -109278.0648 300.5761 -161579.3347 -108909.0883 299.6983 -82.0902 -56.8843 761545.7845 3.7958 3.6864 PRESSURE: 1791200 -122.812 -202.727 -6.13599 -202.727 -179.175 -165.989 -6.13678 -165.989 169.96 GPRESSURE: 1791200 -155.253 -160.949 -16.4158 -105.366 -34.3865 -125.3 -10.1565 -181.224 142.656 PRESSAVG: 1791200 -14.6241 -16.6915 -15.7449 -16.6915 -11.4839 -16.2557 -15.7449 -16.2556 1.06687 GPRESSAVG: 1791200 -16.0004 -18.1757 -13.7739 -15.1305 -10.4337 -18.3183 -16.0323 -15.2791 1.20745 TIMING: 1791200 CPU: 5733.88, 0.00322497/step Wall: 5733.88, 0.00322497/step, 2.87452 hours remaining, 233.824219 MB of memory in use. ENERGY: 1791200 3949.1323 20427.2474 14490.1552 245.1410 -202948.4926 2189.4399 0.0000 0.0000 52208.7830 -109438.5938 300.0446 -161647.3769 -109071.2867 299.6815 -44.0090 -15.6612 759014.3006 -8.3470 -8.4089 PRESSURE: 1791400 -233.638 -144.479 36.679 -144.478 -306.535 -6.58275 36.6796 -6.58271 -457.191 GPRESSURE: 1791400 -162.169 -19.8397 74.1968 -57.6961 -279.245 42.1685 -42.1531 9.48226 -474.924 PRESSAVG: 1791400 20.8049 -78.9829 -12.5816 -78.9829 2.84091 23.5624 -12.5816 23.5625 7.12541 GPRESSAVG: 1791400 21.3363 -77.8911 -12.326 -79.6822 2.35394 22.7605 -11.2144 24.0727 7.25407 TIMING: 1791400 CPU: 5734.52, 0.0031895/step Wall: 5734.52, 0.0031895/step, 2.84273 hours remaining, 233.824219 MB of memory in use. ENERGY: 1791400 4050.4597 20548.0858 14561.4407 247.7331 -203105.5936 2399.3644 0.0000 0.0000 52050.8017 -109247.7082 299.1367 -161298.5098 -108887.6205 299.2780 -332.4544 -305.4459 761335.9045 10.2571 10.3148 PRESSURE: 1791600 -469.521 -234.878 -78.4644 -234.877 -142.919 132.925 -78.4642 132.927 85.0243 GPRESSURE: 1791600 -363.414 -252.647 -102.429 -215.538 -154.685 55.2479 -37.792 50.5045 64.2322 PRESSAVG: 1791600 46.0518 -72.0993 -45.7267 -72.0992 -24.3572 26.0193 -45.7267 26.0193 10.4437 GPRESSAVG: 1791600 46.3929 -73.6876 -47.4196 -72.6079 -25.2535 28.7237 -43.8488 24.5425 10.9486 TIMING: 1791600 CPU: 5735.16, 0.00323105/step Wall: 5735.16, 0.00323105/step, 2.87958 hours remaining, 233.824219 MB of memory in use. ENERGY: 1791600 3978.1158 20583.8807 14502.9984 249.9682 -203077.3715 2309.2883 0.0000 0.0000 52067.5614 -109385.5587 299.2330 -161453.1201 -109027.2082 299.7804 -175.8055 -151.2889 762178.4477 10.7128 10.6960 PRESSURE: 1791800 286.82 27.5152 229.432 27.5164 60.7854 34.0865 229.432 34.0855 -99.9374 GPRESSURE: 1791800 239.585 127.825 170.051 13.2315 104.247 -5.03169 117.383 31.6768 3.91509 PRESSAVG: 1791800 19.8397 -13.542 -12.6763 -13.542 -24.45 4.88649 -12.6763 4.88651 15.8255 GPRESSAVG: 1791800 20.2772 -13.1448 -11.5948 -13.9489 -24.6338 3.01361 -15.7216 5.87233 15.7432 TIMING: 1791800 CPU: 5735.8, 0.00319673/step Wall: 5735.8, 0.00319673/step, 2.84882 hours remaining, 233.824219 MB of memory in use. ENERGY: 1791800 3979.9506 20473.9410 14513.5106 237.4786 -203332.5246 2562.2614 0.0000 0.0000 51970.4099 -109594.9724 298.6747 -161565.3823 -109238.9160 299.1261 82.5560 115.9158 761550.1265 3.7384 3.7955 PRESSURE: 1792000 -102.881 125.503 156.223 125.502 -333.113 30.4425 156.223 30.4422 169.997 GPRESSURE: 1792000 -135.843 159.543 83.1902 79.6132 -201.606 -63.1247 194.848 -56.3241 153.022 PRESSAVG: 1792000 50.8858 -19.6506 22.196 -19.6506 -22.0515 24.9099 22.196 24.91 1.43689 GPRESSAVG: 1792000 49.7299 -17.8864 22.7391 -17.7726 -20.637 25.2362 22.2159 25.9627 1.05497 TIMING: 1792000 CPU: 5736.45, 0.00322056/step Wall: 5736.45, 0.00322056/step, 2.86987 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1792000 4048.5343 20417.3353 14556.3020 249.9847 -203093.6343 2287.3463 0.0000 0.0000 51990.1644 -109543.9673 298.7882 -161534.1317 -109184.4345 299.2595 -88.6659 -61.4757 761454.3382 10.0904 10.0493 PRESSURE: 1792200 -210.449 -42.6243 -149.752 -42.6251 -262.511 -57.6413 -149.752 -57.6423 -98.613 GPRESSURE: 1792200 -174.364 -193.813 -96.8301 95.5227 -205.854 -56.2312 -62.4164 58.5433 -83.8211 PRESSAVG: 1792200 8.35766 17.6796 -25.0872 17.6796 -19.3673 68.5936 -25.0872 68.5936 -1.82721 GPRESSAVG: 1792200 7.14799 14.7723 -24.1261 17.9096 -18.1054 69.9378 -26.0531 68.4072 -2.27616 TIMING: 1792200 CPU: 5737.09, 0.0032131/step Wall: 5737.09, 0.0032131/step, 2.86305 hours remaining, 233.824219 MB of memory in use. ENERGY: 1792200 4028.4317 20351.0942 14523.7555 239.2280 -203301.4975 2488.2436 0.0000 0.0000 52217.8508 -109452.8937 300.0967 -161670.7445 -109087.5872 299.7999 -190.5244 -154.6798 760234.1103 -4.2790 -4.4112 LDB: ============= START OF LOAD BALANCING ============== 5749.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5749.52 LDB: =============== DONE WITH MIGRATION ================ 5749.52 LDB: ============= START OF LOAD BALANCING ============== 5749.84 LDB: Largest compute 7033 load 0.036983 is 18.9% of average load 0.195415 LDB: Average compute 0.004429 is 2.3% of average load 0.195415 LDB: TIME 5749.85 LOAD: AVG 0.195415 MAX 0.211081 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.172 MB LDB: TIME 5749.85 LOAD: AVG 0.195415 MAX 0.211081 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.371 MB LDB: TIME 5749.85 LOAD: AVG 0.195415 MAX 0.211081 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.371 MB LDB: ============== END OF LOAD BALANCING =============== 5749.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5749.85 PRESSURE: 1792400 -334.489 41.5618 -42.5061 41.5622 -340.418 57.7071 -42.5059 57.7078 -164.879 GPRESSURE: 1792400 -181.959 172.127 -57.8988 30.9488 -374.677 -33.4061 -26.3206 -17.3056 -186.925 PRESSAVG: 1792400 39.7983 -3.97949 -30.4767 -3.9795 -64.7128 -8.59904 -30.4767 -8.59899 7.20314 GPRESSAVG: 1792400 41.2461 -2.92269 -30.899 -2.77978 -66.3189 -7.58078 -28.0548 -10.9543 7.75654 TIMING: 1792400 CPU: 5737.75, 0.00328655/step Wall: 5737.75, 0.00328655/step, 2.92832 hours remaining, 230.218750 MB of memory in use. ENERGY: 1792400 4013.4441 20562.7306 14525.4253 249.3485 -202876.5630 2246.0837 0.0000 0.0000 52049.5719 -109229.9588 299.1296 -161279.5307 -108870.0817 299.1814 -279.9287 -247.8537 762534.5375 -5.9038 -5.7721 PRESSURE: 1792600 123.982 138.986 -169.057 138.986 42.5105 88.363 -169.059 88.3625 263.673 GPRESSURE: 1792600 181.107 145.966 -169.252 133.682 51.0215 13.3301 -31.2369 158.56 273.906 PRESSAVG: 1792600 -14.5653 -13.0987 -41.0727 -13.0987 4.38161 9.04309 -41.0727 9.0431 -19.0332 GPRESSAVG: 1792600 -13.8775 -12.6594 -40.851 -14.3081 3.51201 8.06141 -40.7106 10.9672 -19.0848 TIMING: 1792600 CPU: 5738.4, 0.00323633/step Wall: 5738.4, 0.00323633/step, 2.88339 hours remaining, 230.417969 MB of memory in use. ENERGY: 1792600 3953.1978 20573.5483 14587.7658 258.6670 -203052.8666 2457.0032 0.0000 0.0000 52042.2652 -109180.4193 299.0876 -161222.6845 -108823.2827 300.0488 143.3885 168.6782 760117.2736 -9.7390 -9.8168 PRESSURE: 1792800 12.834 122.373 -89.6159 122.373 145.139 156.878 -89.6156 156.879 1.69388 GPRESSURE: 1792800 25.1467 24.8665 -85.2398 57.5046 128.315 119.574 -87.3196 157.446 74.0754 PRESSAVG: 1792800 -0.897757 -4.87065 -8.83919 -4.87067 2.79682 5.13238 -8.83927 5.13242 12.5546 GPRESSAVG: 1792800 -1.80336 -6.00206 -8.56744 -5.21731 3.38272 3.47824 -11.2054 5.64257 12.7366 TIMING: 1792800 CPU: 5739.04, 0.00324674/step Wall: 5739.04, 0.00324674/step, 2.89249 hours remaining, 230.417969 MB of memory in use. ENERGY: 1792800 3934.4957 20365.3174 14505.0253 262.7971 -203059.8430 2543.4521 0.0000 0.0000 52280.8517 -109167.9038 300.4588 -161448.7555 -108801.4118 299.7749 53.2223 75.8457 761576.6974 4.8179 4.7720 PRESSURE: 1793000 -244.314 -123.744 -137.46 -123.744 -98.7874 79.879 -137.46 79.8796 -200.199 GPRESSURE: 1793000 -124.739 14.9335 -176.553 -63.0707 -137.53 100.902 -57.4263 71.6867 -185.879 PRESSAVG: 1793000 -12.4987 -6.06445 -14.5731 -6.06442 10.0826 -35.2103 -14.573 -35.2104 7.46545 GPRESSAVG: 1793000 -12.4145 -7.90669 -17.1356 -3.1267 10.64 -34.1825 -13.0373 -36.5624 6.62636 TIMING: 1793000 CPU: 5739.68, 0.00319315/step Wall: 5739.68, 0.00319315/step, 2.84456 hours remaining, 230.417969 MB of memory in use. ENERGY: 1793000 4007.2530 20586.5163 14487.4560 232.7897 -202814.1779 2300.1893 0.0000 0.0000 52167.7313 -109032.2423 299.8087 -161199.9735 -108665.9490 299.9076 -181.1003 -149.3824 761243.1734 1.6831 1.6173 PRESSURE: 1793200 -160.457 -15.2422 46.5664 -15.243 -9.90752 62.4321 46.5662 62.433 -25.4959 GPRESSURE: 1793200 -92.2045 -14.0994 53.2219 -112.352 11.2673 118.549 0.792602 35.2407 -17.434 PRESSAVG: 1793200 0.293901 -46.0246 0.742518 -46.0246 -22.4289 5.76058 0.74264 5.7606 14.2429 GPRESSAVG: 1793200 0.533514 -43.5953 2.88681 -49.9511 -22.8709 5.13597 -0.119211 5.97453 14.9353 TIMING: 1793200 CPU: 5740.32, 0.00319231/step Wall: 5740.32, 0.00319231/step, 2.84364 hours remaining, 230.417969 MB of memory in use. ENERGY: 1793200 3968.6848 20324.6171 14559.6372 269.1283 -202983.0654 2591.4547 0.0000 0.0000 52024.4526 -109245.0907 298.9852 -161269.5433 -108881.8967 299.7333 -65.2868 -32.7904 761510.7362 -2.6307 -2.4674 PRESSURE: 1793400 -434.972 72.6062 108.278 72.6064 -350.305 110.167 108.279 110.168 47.0755 GPRESSURE: 1793400 -394.805 14.2858 65.0666 52.1071 -245.308 129.465 64.5282 65.7706 -19.0077 PRESSAVG: 1793400 -65.0419 -14.6319 -2.65661 -14.6319 25.5067 1.96196 -2.65651 1.96196 -19.0036 GPRESSAVG: 1793400 -64.7136 -14.226 -1.8044 -12.8206 24.8628 2.42291 -1.49012 2.06601 -18.9772 TIMING: 1793400 CPU: 5740.96, 0.00318549/step Wall: 5740.96, 0.00318549/step, 2.83739 hours remaining, 230.417969 MB of memory in use. ENERGY: 1793400 3897.6713 20602.9998 14536.4493 222.7974 -203379.4171 2621.3186 0.0000 0.0000 52206.5755 -109291.6052 300.0319 -161498.1807 -108936.9531 299.7872 -246.0672 -219.7068 763470.3707 -19.5129 -19.6093 PRESSURE: 1793600 -190.795 211.628 28.1822 211.628 -169.01 -107.416 28.1835 -107.417 -376.677 GPRESSURE: 1793600 -103.937 158.115 -25.8116 256.386 -205.758 -159.021 54.9972 -21.1536 -324.329 PRESSAVG: 1793600 51.2237 -38.2003 51.2419 -38.2003 -43.5443 68.3379 51.2419 68.3379 0.753647 GPRESSAVG: 1793600 50.6184 -37.6312 50.8058 -37.7804 -43.559 68.6761 50.8936 66.305 1.53044 TIMING: 1793600 CPU: 5741.6, 0.00321204/step Wall: 5741.6, 0.00321204/step, 2.86085 hours remaining, 230.417969 MB of memory in use. ENERGY: 1793600 3942.1279 20568.8750 14440.4052 276.7512 -202884.6956 2420.7568 0.0000 0.0000 52051.8728 -109183.9067 299.1428 -161235.7796 -108813.7789 299.6146 -245.4939 -211.3416 763557.0748 2.8110 2.8633 PRESSURE: 1793800 328.75 -27.9207 11.35 -27.92 36.67 -308.135 11.3488 -308.135 362.91 GPRESSURE: 1793800 338.991 85.7054 22.0688 10.4697 61.6371 -284.571 -10.3832 -152.131 389.006 PRESSAVG: 1793800 71.6989 -54.224 15.7134 -54.224 22.497 24.9518 15.7133 24.9517 9.24512 GPRESSAVG: 1793800 71.4409 -50.1942 15.8992 -57.4425 22.7588 24.2052 17.7833 28.0951 9.28578 TIMING: 1793800 CPU: 5742.25, 0.0032211/step Wall: 5742.25, 0.0032211/step, 2.86875 hours remaining, 230.417969 MB of memory in use. ENERGY: 1793800 3964.6236 20661.2714 14510.2353 266.4676 -203654.0144 2858.8150 0.0000 0.0000 52447.9530 -108944.6485 301.4191 -161392.6015 -108576.0812 300.0451 242.7767 263.2116 760227.8144 34.4803 34.4952 PRESSURE: 1794000 129.761 12.5392 127.639 12.5388 -31.695 -38.886 127.639 -38.8849 -653.942 GPRESSURE: 1794000 156.45 -3.82426 66.9945 -42.9645 48.0079 -21.9793 95.3761 29.415 -663.682 PRESSAVG: 1794000 14.521 -29.7139 -18.9111 -29.7139 -14.8616 3.85194 -18.9112 3.85183 7.74899 GPRESSAVG: 1794000 15.2512 -32.6352 -19.7893 -26.8859 -15.2489 3.3435 -22.8915 2.36226 7.6035 TIMING: 1794000 CPU: 5742.89, 0.00322527/step Wall: 5742.89, 0.00322527/step, 2.87229 hours remaining, 230.417969 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: 1794000 4058.7352 20649.3019 14450.2571 266.7250 -203321.7073 2647.7112 0.0000 0.0000 52418.0726 -108830.9043 301.2474 -161248.9769 -108476.0082 300.6472 -185.2919 -153.0749 761571.0173 2.4695 2.5353 PRESSURE: 1794200 -135.824 149.392 164.999 149.392 -127.099 89.297 164.999 89.2964 -315.195 GPRESSURE: 1794200 26.7976 149.536 247.144 148.674 -166.764 59.5285 242.554 -12.9318 -354.661 PRESSAVG: 1794200 50.3624 -26.8974 -11.4515 -26.8974 -48.947 -33.5989 -11.4515 -33.5989 -5.24439 GPRESSAVG: 1794200 51.4588 -27.8661 -10.838 -27.4952 -47.7683 -35.0982 -9.80496 -34.3346 -6.88032 TIMING: 1794200 CPU: 5743.53, 0.00320823/step Wall: 5743.53, 0.00320823/step, 2.85693 hours remaining, 230.417969 MB of memory in use. ENERGY: 1794200 3981.2038 20626.1568 14501.0847 223.8029 -203159.5203 2626.2017 0.0000 0.0000 52373.1381 -108827.9323 300.9891 -161201.0704 -108453.8102 301.2324 -192.7061 -164.8759 762332.8203 -1.2763 -1.0633 PRESSURE: 1794400 1.85376 -154.393 95.0773 -154.395 -315.737 161.964 95.0773 161.964 -146.117 GPRESSURE: 1794400 -15.6834 -250.166 55.8028 -32.4616 -235.079 161.297 6.71146 280.321 -125.713 PRESSAVG: 1794400 44.6831 -34.4346 -9.89229 -34.4346 -59.5385 -33.0918 -9.89232 -33.0918 4.99389 GPRESSAVG: 1794400 45.3221 -35.1206 -10.5406 -32.1207 -60.4019 -30.0457 -8.08918 -32.5618 5.16931 TIMING: 1794400 CPU: 5744.18, 0.00321598/step Wall: 5744.18, 0.00321598/step, 2.86365 hours remaining, 230.417969 MB of memory in use. ENERGY: 1794400 4031.2609 20559.2122 14435.8825 265.1486 -203062.1874 2574.1445 0.0000 0.0000 52409.0951 -108787.4437 301.1958 -161196.5388 -108420.3128 300.8100 -153.3335 -125.4921 763306.0141 -3.2872 -3.3035 PRESSURE: 1794600 -716.387 366.393 -119.336 366.391 -139.445 89.1549 -119.335 89.1547 -363.906 GPRESSURE: 1794600 -596.352 269.552 -129.73 184.659 -215.824 24.5008 -152.295 134.495 -314.389 PRESSAVG: 1794600 2.19172 -12.3283 2.63928 -12.3283 27.4745 -27.4912 2.63926 -27.4912 -19.367 GPRESSAVG: 1794600 2.07887 -12.788 3.42101 -13.6181 26.3145 -29.0699 1.41094 -24.6145 -18.4894 TIMING: 1794600 CPU: 5744.82, 0.00321716/step Wall: 5744.82, 0.00321716/step, 2.86453 hours remaining, 230.417969 MB of memory in use. ENERGY: 1794600 4021.0554 20543.4585 14492.2622 269.5633 -202887.5306 2200.0833 0.0000 0.0000 52445.8244 -108915.2835 301.4069 -161361.1078 -108544.9064 301.0773 -406.5794 -375.5216 762165.8153 3.4331 3.3013 PRESSURE: 1794800 139.075 -57.2207 -32.9467 -57.2214 -524.228 169.147 -32.9465 169.146 -128.426 GPRESSURE: 1794800 169.875 -186.149 29.0883 -93.099 -490.362 96.4503 -109.056 50.4324 -108.157 PRESSAVG: 1794800 -23.4054 -43.0663 11.0469 -43.0663 9.4765 12.1753 11.047 12.1753 -20.068 GPRESSAVG: 1794800 -22.7916 -39.9236 11.7916 -46.9659 8.70536 13.588 11.4486 10.3828 -19.9847 TIMING: 1794800 CPU: 5745.46, 0.00321049/step Wall: 5745.46, 0.00321049/step, 2.85841 hours remaining, 230.417969 MB of memory in use. ENERGY: 1794800 3968.5457 20494.8105 14533.1305 267.2045 -203068.4066 2359.1470 0.0000 0.0000 52303.4781 -109142.0902 300.5888 -161445.5683 -108785.8238 299.9592 -171.1929 -142.8812 761696.5241 -11.3323 -11.3570 PRESSURE: 1795000 -368.524 -98.6215 18.9117 -98.6216 22.9654 -42.4354 18.911 -42.4355 76.1782 GPRESSURE: 1795000 -289.909 -119.801 16.0691 12.7122 51.1752 -108.915 -44.6844 -21.9853 67.7321 PRESSAVG: 1795000 31.835 11.4937 7.22242 11.4937 17.1775 -28.9064 7.22239 -28.9065 2.19948 GPRESSAVG: 1795000 31.5696 10.798 4.81307 13.5538 17.5948 -28.5087 6.82284 -31.3514 1.80197 TIMING: 1795000 CPU: 5746.12, 0.00328813/step Wall: 5746.12, 0.00328813/step, 2.92735 hours remaining, 230.417969 MB of memory in use. ENERGY: 1795000 4036.1025 20359.1560 14545.2957 260.1994 -202985.5490 2731.1021 0.0000 0.0000 51873.7234 -109179.9700 298.1190 -161053.6934 -108811.4788 299.6414 -89.7934 -57.0006 762002.2045 17.0707 16.9888 PRESSURE: 1795200 257.924 -105.46 -128.189 -105.46 -384.383 -124.173 -128.189 -124.173 -2.89618 GPRESSURE: 1795200 233.899 -72.14 -240.09 -121.41 -312.149 -113.413 -46.0146 -52.7511 28.7381 PRESSAVG: 1795200 29.6194 -17.1956 27.6795 -17.1956 -31.6311 18.3246 27.6795 18.3247 -18.8224 GPRESSAVG: 1795200 28.2349 -17.9687 29.7097 -18.1872 -31.0778 17.7145 28.742 21.1395 -18.0673 TIMING: 1795200 CPU: 5746.77, 0.00324178/step Wall: 5746.77, 0.00324178/step, 2.88591 hours remaining, 230.417969 MB of memory in use. ENERGY: 1795200 3978.0421 20582.4768 14452.1301 247.9589 -202687.8368 2180.2106 0.0000 0.0000 52216.4910 -109030.5272 300.0889 -161247.0182 -108682.1104 300.3608 -43.1183 -16.5038 761525.0616 -6.9447 -6.9701 PRESSURE: 1795400 179.106 7.8685 94.172 7.8696 81.1398 -153.25 94.1712 -153.251 -283.423 GPRESSURE: 1795400 216.139 25.6649 21.051 -118.198 62.2387 -177.418 165.374 -142.688 -220.917 PRESSAVG: 1795400 -17.1755 40.0062 33.3407 40.0062 -0.564833 -10.0063 33.3406 -10.0063 27.4615 GPRESSAVG: 1795400 -17.2316 40.8031 34.3873 41.8902 -1.2181 -9.76742 32.5511 -10.7217 27.727 TIMING: 1795400 CPU: 5747.41, 0.00322209/step Wall: 5747.41, 0.00322209/step, 2.86819 hours remaining, 230.417969 MB of memory in use. ENERGY: 1795400 3981.2722 20389.9118 14549.1602 255.4997 -203079.3417 2414.0271 0.0000 0.0000 52335.0600 -109154.4107 300.7703 -161489.4706 -108792.8444 300.3536 -7.7256 19.1534 761508.2916 3.2404 3.0924 PRESSURE: 1795600 -28.4639 141.164 2.88132 141.165 258.646 212.026 2.88071 212.026 324.223 GPRESSURE: 1795600 40.2067 44.1846 75.1587 89.3046 272.035 183.649 -20.4555 333.953 346.796 PRESSAVG: 1795600 76.9109 7.18137 49.4359 7.18135 -95.2108 -55.504 49.436 -55.5041 5.91917 GPRESSAVG: 1795600 77.1923 4.84908 47.9378 7.37513 -95.3159 -55.0779 49.7418 -55.2539 5.88558 TIMING: 1795600 CPU: 5748.05, 0.0031989/step Wall: 5748.05, 0.0031989/step, 2.84738 hours remaining, 230.417969 MB of memory in use. ENERGY: 1795600 3941.2469 20320.3801 14522.8751 233.9439 -202997.5810 2667.0833 0.0000 0.0000 52138.8511 -109173.2006 299.6427 -161312.0516 -108799.0056 299.4132 184.8016 219.6792 761989.8845 -4.1269 -4.0793 PRESSURE: 1795800 -109.941 -193.492 -120.108 -193.491 254.335 -186.459 -120.108 -186.459 593.975 GPRESSURE: 1795800 17.139 13.8142 -124.672 -164.442 182.643 -174.963 -36.0015 -240.947 610.783 PRESSAVG: 1795800 14.5158 -3.83587 17.5029 -3.83578 8.47803 -54.1612 17.503 -54.1612 7.75338 GPRESSAVG: 1795800 15.7641 -1.79147 19.0031 -4.24847 7.48039 -53.8301 16.5172 -54.4974 6.87786 TIMING: 1795800 CPU: 5748.7, 0.00322641/step Wall: 5748.7, 0.00322641/step, 2.87168 hours remaining, 230.417969 MB of memory in use. ENERGY: 1795800 3958.5599 20543.0586 14545.0378 231.1058 -203252.1120 2588.2027 0.0000 0.0000 51899.3807 -109486.7665 298.2665 -161386.1471 -109132.0299 299.2024 246.1230 270.1881 760048.1854 10.2491 10.0408 PRESSURE: 1796000 230.794 151.391 -74.1456 151.39 62.4022 -45.6227 -74.1451 -45.6224 -361.734 GPRESSURE: 1796000 191.016 137.98 -71.4316 181.798 67.9617 -79.2979 3.90218 12.2845 -235.052 PRESSAVG: 1796000 16.921 31.4747 1.62724 31.4747 -22.2007 -33.3577 1.62723 -33.3578 18.4638 GPRESSAVG: 1796000 15.4902 30.2887 0.540927 32.6453 -21.0212 -34.4982 4.39898 -32.7066 19.1883 TIMING: 1796000 CPU: 5749.35, 0.00325876/step Wall: 5749.35, 0.00325876/step, 2.9003 hours remaining, 230.417969 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: 1796000 4002.9698 20396.9723 14558.6024 258.8827 -203157.6083 2388.2248 0.0000 0.0000 51928.6846 -109623.2716 298.4349 -161551.9562 -109267.1219 298.3156 -22.8458 7.9753 762854.3838 4.3947 4.5524 PRESSURE: 1796200 187.099 125.403 -190.349 125.403 94.3803 52.8705 -190.349 52.8708 284.34 GPRESSURE: 1796200 210.124 138.604 -160.735 43.8414 76.1666 -51.5095 -181.698 109.531 362.803 PRESSAVG: 1796200 -5.62364 19.5136 17.4876 19.5136 -19.1303 -20.8306 17.4876 -20.8307 -7.86581 GPRESSAVG: 1796200 -6.26227 18.9129 17.8718 17.4378 -18.1333 -22.0653 15.7741 -21.9155 -7.66967 TIMING: 1796200 CPU: 5750, 0.00323752/step Wall: 5750, 0.00323752/step, 2.88121 hours remaining, 230.417969 MB of memory in use. ENERGY: 1796200 3944.6069 20567.1564 14551.3808 247.7531 -203369.4144 2615.0815 0.0000 0.0000 51842.0436 -109601.3921 297.9369 -161443.4358 -109239.1331 298.9200 188.6065 216.3646 760674.8407 -10.8733 -10.6884 LDB: ============= START OF LOAD BALANCING ============== 5762.42 LDB: ============== END OF LOAD BALANCING =============== 5762.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5762.43 LDB: ============= START OF LOAD BALANCING ============== 5762.75 LDB: Largest compute 7069 load 0.036504 is 18.7% of average load 0.195368 LDB: Average compute 0.004413 is 2.3% of average load 0.195368 LDB: TIME 5762.75 LOAD: AVG 0.195368 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.242 MB LDB: TIME 5762.75 LOAD: AVG 0.195368 MAX 0.211995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.246 MB LDB: TIME 5762.75 LOAD: AVG 0.195368 MAX 0.211995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.246 MB LDB: ============== END OF LOAD BALANCING =============== 5762.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5762.76 PRESSURE: 1796400 -72.6362 -29.5514 -164.074 -29.5515 -0.751818 -54.5507 -164.073 -54.5495 178.162 GPRESSURE: 1796400 -0.335891 -49.5519 -125.151 -33.7839 27.4808 -122.096 -178.05 -49.6426 186.907 PRESSAVG: 1796400 -22.8056 10.7142 4.78901 10.7142 25.8314 52.8258 4.78904 52.8258 -12.8805 GPRESSAVG: 1796400 -22.9471 11.7 2.41119 13.0711 26.6752 53.4034 5.23412 55.6287 -13.6926 TIMING: 1796400 CPU: 5750.65, 0.00329203/step Wall: 5750.65, 0.00329203/step, 2.92954 hours remaining, 231.761719 MB of memory in use. ENERGY: 1796400 3993.7100 20483.2806 14510.0838 256.6707 -203470.8354 2559.4968 0.0000 0.0000 52042.7645 -109624.8291 299.0905 -161667.5936 -109262.9959 298.9680 34.9248 71.3506 761784.3505 -3.2849 -3.3215 PRESSURE: 1796600 -1.63527 59.5094 234.976 59.5101 -82.3542 55.9679 234.976 55.9673 34.6643 GPRESSURE: 1796600 63.606 179.728 198.134 193.328 -58.813 92.2797 225.75 21.9889 42.2604 PRESSAVG: 1796600 5.2774 9.52196 22.2571 9.52193 -53.1002 1.34173 22.2571 1.34178 13.1427 GPRESSAVG: 1796600 6.62999 8.5063 24.0794 8.56048 -55.0252 -0.028235 21.3021 1.27564 13.6315 TIMING: 1796600 CPU: 5751.3, 0.00322742/step Wall: 5751.3, 0.00322742/step, 2.87187 hours remaining, 231.761719 MB of memory in use. ENERGY: 1796600 3972.0200 20507.0205 14462.9699 257.7708 -203584.2598 2762.6849 0.0000 0.0000 52100.4884 -109521.3054 299.4222 -161621.7937 -109167.0717 298.8485 -16.4417 15.6845 761686.8668 -11.5600 -11.5879 PRESSURE: 1796800 -33.3202 160.778 193.719 160.779 174.926 -91.5112 193.719 -91.5123 3.6415 GPRESSURE: 1796800 -39.6463 234.756 154.268 80.64 252.876 -71.7954 101.047 -241.584 28.4832 PRESSAVG: 1796800 9.64132 49.8794 46.9505 49.8795 3.58753 -9.81887 46.9505 -9.81891 -27.2442 GPRESSAVG: 1796800 9.10627 51.9646 47.8269 48.9585 3.33228 -7.59558 46.9247 -11.0329 -27.1659 TIMING: 1796800 CPU: 5751.94, 0.00322476/step Wall: 5751.94, 0.00322476/step, 2.86932 hours remaining, 231.761719 MB of memory in use. ENERGY: 1796800 4011.9411 20498.9545 14521.0844 247.8116 -203604.7138 2675.7844 0.0000 0.0000 52125.2199 -109523.9179 299.5644 -161649.1378 -109165.3691 299.1474 48.4159 80.5710 760388.8727 -4.6718 -4.9091 PRESSURE: 1797000 -41.3193 61.5128 -268.883 61.5127 -127.358 56.9305 -268.883 56.9302 227.826 GPRESSURE: 1797000 -93.8056 -7.39732 -280.125 90.3759 13.6527 141.081 -151.292 -26.3393 223.242 PRESSAVG: 1797000 -10.5451 25.8839 12.3315 25.8839 -2.61522 -9.56681 12.3315 -9.56679 -2.00148 GPRESSAVG: 1797000 -9.97489 25.5212 12.5369 25.913 -3.238 -7.68627 13.6232 -10.0708 -2.12236 TIMING: 1797000 CPU: 5752.59, 0.00321924/step Wall: 5752.59, 0.00321924/step, 2.86423 hours remaining, 231.761719 MB of memory in use. ENERGY: 1797000 3954.9202 20588.5771 14489.9293 251.2053 -203419.2477 2348.8458 0.0000 0.0000 52099.0059 -109686.7640 299.4137 -161785.7699 -109326.9974 299.0830 19.7162 47.6963 760212.6560 -5.0539 -5.1118 PRESSURE: 1797200 163.015 116.118 -43.9594 116.118 117.12 258.118 -43.9595 258.119 509.501 GPRESSURE: 1797200 286.466 107.305 -98.7021 -10.4353 92.9802 185.646 -65.8521 243.632 487.351 PRESSAVG: 1797200 6.04896 27.5906 -21.1402 27.5907 -42.3187 -9.24296 -21.1402 -9.24304 -5.95253 GPRESSAVG: 1797200 6.35872 27.9342 -20.1362 27.2961 -41.4019 -9.41692 -22.7428 -9.14306 -7.00542 TIMING: 1797200 CPU: 5753.23, 0.00322601/step Wall: 5753.23, 0.00322601/step, 2.87008 hours remaining, 231.761719 MB of memory in use. ENERGY: 1797200 3991.1558 20579.4373 14556.3865 253.6368 -203629.6610 2765.3759 0.0000 0.0000 51762.6767 -109720.9920 297.4808 -161483.6687 -109357.9088 298.7886 263.2119 288.9324 760046.4642 -14.0741 -14.0162 PRESSURE: 1797400 125.495 -165.205 38.8829 -165.206 174.399 -81.9944 38.883 -81.9944 -15.7294 GPRESSURE: 1797400 142.806 -200.258 -4.12777 -168.954 224.535 -176.213 201.452 -67.999 9.90665 PRESSAVG: 1797400 44.8154 31.1064 17.5497 31.1064 -30.7186 23.6662 17.5497 23.6662 3.85544 GPRESSAVG: 1797400 42.4904 31.4202 16.525 31.851 -30.1218 21.872 17.7311 22.3079 5.58337 TIMING: 1797400 CPU: 5753.87, 0.00319466/step Wall: 5753.87, 0.00319466/step, 2.84201 hours remaining, 231.761719 MB of memory in use. ENERGY: 1797400 3953.5341 20525.4754 14512.1969 240.3733 -203597.2159 2618.1624 0.0000 0.0000 52005.5769 -109741.8968 298.8768 -161747.4737 -109383.0792 298.4651 94.7215 125.7492 759165.8075 5.9841 5.9840 PRESSURE: 1797600 -171.101 -101.101 -115.782 -101.101 -145.291 -320.213 -115.783 -320.213 -227.789 GPRESSURE: 1797600 -134.996 -175.321 -152.042 -82.4777 -162.896 -273.095 -138.143 -270.06 -137.83 PRESSAVG: 1797600 -0.786702 20.8483 -17.1233 20.8484 14.9111 -29.3657 -17.1233 -29.3656 -5.52236 GPRESSAVG: 1797600 1.27492 18.2236 -17.6456 22.2358 14.3649 -29.4385 -18.0346 -28.3529 -6.93889 TIMING: 1797600 CPU: 5754.51, 0.00320947/step Wall: 5754.51, 0.00320947/step, 2.85501 hours remaining, 231.761719 MB of memory in use. ENERGY: 1797600 4023.1297 20496.7576 14490.7130 250.4741 -203373.3571 2613.5511 0.0000 0.0000 52089.7981 -109408.9336 299.3608 -161498.7317 -109059.1651 299.2284 -181.3938 -145.2408 760502.0957 2.8673 2.9003 PRESSURE: 1797800 -263.583 -31.2571 107.971 -31.2581 -23.4861 42.7215 107.971 42.7212 136.525 GPRESSURE: 1797800 -222.874 -82.1392 117.389 -125.95 -24.0499 54.3475 91.0187 -20.0597 190.982 PRESSAVG: 1797800 56.5045 32.4058 11.4479 32.4058 -52.1883 1.5313 11.4479 1.53118 -5.24027 GPRESSAVG: 1797800 56.6375 33.2031 10.2712 30.6016 -52.1605 1.87829 11.1764 -0.832865 -5.22374 TIMING: 1797800 CPU: 5755.16, 0.00320742/step Wall: 5755.16, 0.00320742/step, 2.853 hours remaining, 231.761719 MB of memory in use. ENERGY: 1797800 3987.1081 20547.5176 14543.0360 256.4951 -202960.9405 2179.8530 0.0000 0.0000 52143.4550 -109303.4758 299.6692 -161446.9308 -108957.0389 300.0561 -50.1816 -18.6472 760351.5526 -0.3080 -0.2489 PRESSURE: 1798000 236.035 -192.462 9.77234 -192.463 179.068 -158.647 9.77297 -158.647 234.098 GPRESSURE: 1798000 386.59 -140.381 86.0461 -92.4218 175.218 -254.411 64.2534 -64.0493 169.042 PRESSAVG: 1798000 25.0454 10.7035 -11.042 10.7035 -47.3896 1.37097 -11.042 1.37097 -21.7998 GPRESSAVG: 1798000 24.5136 13.1982 -10.5819 13.2167 -46.4049 1.19203 -9.75492 1.51544 -21.8591 TIMING: 1798000 CPU: 5755.8, 0.00324413/step Wall: 5755.8, 0.00324413/step, 2.88547 hours remaining, 231.761719 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: 1798000 4051.0025 20491.6847 14487.5413 245.6747 -203511.7552 2711.0369 0.0000 0.0000 52055.0975 -109469.7175 299.1614 -161524.8151 -109108.9710 299.5849 216.4002 243.6167 760794.2024 -14.7147 -14.5834 PRESSURE: 1798200 -243.614 127.707 279.113 127.708 -167.534 112.1 279.114 112.1 151.228 GPRESSURE: 1798200 -56.6574 208.111 166.872 103.793 -199.061 117.623 337.92 107.998 77.336 PRESSAVG: 1798200 44.1902 10.1769 19.0641 10.1769 -30.7908 -2.71143 19.0641 -2.71141 -13.3109 GPRESSAVG: 1798200 45.2836 11.6796 18.1462 8.66679 -31.9481 -2.53166 19.2156 -0.874665 -13.2973 TIMING: 1798200 CPU: 5756.45, 0.00322035/step Wall: 5756.45, 0.00322035/step, 2.86415 hours remaining, 231.761719 MB of memory in use. ENERGY: 1798200 3994.5092 20518.7007 14593.3061 244.4685 -203576.0189 2851.4240 0.0000 0.0000 51993.6016 -109380.0088 298.8079 -161373.6104 -109016.0090 299.2702 -86.6397 -59.4608 762783.3329 0.0295 0.0127 PRESSURE: 1798400 0.504141 118.983 188.652 118.984 -274.104 -46.5043 188.651 -46.5035 -188.666 GPRESSURE: 1798400 13.8951 16.6031 167.323 153.551 -223.254 36.8772 107.557 -59.1537 -163.758 PRESSAVG: 1798400 11.2912 -19.2445 0.760811 -19.2445 -57.3558 -15.575 0.760809 -15.575 14.0469 GPRESSAVG: 1798400 10.4725 -23.0642 2.92563 -20.2557 -56.8899 -16.6118 0.103901 -17.1935 14.421 TIMING: 1798400 CPU: 5757.09, 0.00322001/step Wall: 5757.09, 0.00322001/step, 2.86366 hours remaining, 231.761719 MB of memory in use. ENERGY: 1798400 3976.3606 20407.0403 14636.6326 246.9537 -202779.1413 2363.5781 0.0000 0.0000 51847.0735 -109301.5025 297.9658 -161148.5761 -108942.7882 299.3476 -154.0888 -124.3725 762235.1892 -10.6726 -10.6655 PRESSURE: 1798600 -14.2938 56.6594 172.753 56.6597 -176.894 -206.651 172.752 -206.652 -403.749 GPRESSURE: 1798600 39.4865 122.828 175.467 109.752 -210.299 -270.657 135.241 -149.151 -327.709 PRESSAVG: 1798600 41.7824 28.8493 12.2636 28.8493 -14.8475 -62.2143 12.2636 -62.2143 -17.3468 GPRESSAVG: 1798600 42.3734 32.277 10.2601 28.5357 -14.9751 -61.3572 11.7578 -60.1343 -17.9049 TIMING: 1798600 CPU: 5757.73, 0.00319429/step Wall: 5757.73, 0.00319429/step, 2.84061 hours remaining, 231.761719 MB of memory in use. ENERGY: 1798600 4016.7036 20409.6919 14545.9068 244.9645 -203085.1117 2317.6435 0.0000 0.0000 52171.6294 -109378.5719 299.8311 -161550.2013 -109021.0583 299.4605 -198.3123 -166.1740 760482.9540 3.1960 3.1645 PRESSURE: 1798800 -307.244 60.3466 10.3224 60.3472 169.989 259.35 10.3233 259.35 61.0695 GPRESSURE: 1798800 -255.623 107.097 -93.014 23.3802 210.847 180.747 -31.4868 103.438 66.8817 PRESSAVG: 1798800 35.1101 4.28406 79.1478 4.28412 -15.5776 -20.9271 79.1478 -20.927 -1.90793 GPRESSAVG: 1798800 35.1107 3.27378 80.5595 4.25527 -16.478 -20.6323 77.7793 -24.2799 -1.37998 TIMING: 1798800 CPU: 5758.37, 0.00319042/step Wall: 5758.37, 0.00319042/step, 2.83699 hours remaining, 231.761719 MB of memory in use. ENERGY: 1798800 4095.0668 20547.9536 14512.3575 249.5013 -203811.8648 2819.8730 0.0000 0.0000 52110.7972 -109476.3153 299.4815 -161587.1125 -109115.2081 299.4978 -25.3954 7.3686 760707.3297 5.8749 5.7509 PRESSURE: 1799000 -435.87 -192.634 127.62 -192.634 -191.075 -70.0622 127.62 -70.0617 -499.212 GPRESSURE: 1799000 -359.918 -31.5149 146.07 -190.878 -198.083 -9.7524 171.891 -221.78 -502.668 PRESSAVG: 1799000 0.856962 38.3614 64.8685 38.3614 -11.0468 1.77855 64.8684 1.77845 3.55195 GPRESSAVG: 1799000 0.739255 37.6434 64.3694 39.156 -11.2686 1.78871 66.2562 5.05006 3.64696 TIMING: 1799000 CPU: 5759.01, 0.00319485/step Wall: 5759.01, 0.00319485/step, 2.84075 hours remaining, 231.761719 MB of memory in use. ENERGY: 1799000 3979.3135 20686.2295 14486.4337 260.9967 -203299.4242 2330.5125 0.0000 0.0000 51823.7000 -109732.2384 297.8315 -161555.9384 -109377.6048 298.9341 -375.3855 -353.5566 762132.1439 -2.2126 -2.2941 PRESSURE: 1799200 -223.04 75.5356 68.3181 75.5366 -203.523 -123.891 68.3179 -123.891 -125.067 GPRESSURE: 1799200 -183.825 100.137 101.347 162.167 -190 -128.37 17.5815 -128.195 -95.162 PRESSAVG: 1799200 -26.1653 11.2407 70.8798 11.2407 -0.311917 12.528 70.8798 12.5279 -5.58158 GPRESSAVG: 1799200 -26.5469 11.3747 72.3844 11.8501 1.03083 11.951 71.5824 10.3853 -6.80771 TIMING: 1799200 CPU: 5759.64, 0.00316845/step Wall: 5759.64, 0.00316845/step, 2.81711 hours remaining, 231.761719 MB of memory in use. ENERGY: 1799200 3988.6966 20565.1276 14468.0019 241.4160 -203640.0566 2496.6847 0.0000 0.0000 52128.9110 -109751.2188 299.5856 -161880.1298 -109393.5335 298.7302 -183.8768 -156.3291 762155.1557 -10.6863 -10.7746 PRESSURE: 1799400 -6.90557 -44.883 122.177 -44.8834 -304.271 -15.3436 122.176 -15.3438 -418.176 GPRESSURE: 1799400 2.87775 -69.7366 118.521 -44.0082 -226.334 58.1401 298.455 139.07 -405.03 PRESSAVG: 1799400 58.0292 71.1927 27.7996 71.1928 -39.3076 -29.6624 27.7996 -29.6624 -2.45573 GPRESSAVG: 1799400 58.0426 71.9276 26.9683 69.0967 -40.3432 -29.3094 27.1066 -27.8644 -1.4619 TIMING: 1799400 CPU: 5760.28, 0.00318682/step Wall: 5760.28, 0.00318681/step, 2.83326 hours remaining, 231.761719 MB of memory in use. ENERGY: 1799400 4021.3645 20422.1279 14445.2568 247.7045 -203537.8027 2542.0916 0.0000 0.0000 52117.0570 -109742.2006 299.5174 -161859.2575 -109375.2156 298.4187 -243.1176 -209.4953 760855.8455 5.4220 5.4125 PRESSURE: 1799600 -77.5324 -38.61 -170.607 -38.6092 -111.763 0.863976 -170.607 0.864047 -119.075 GPRESSURE: 1799600 -22.4581 -31.8554 -123.193 -69.6732 -101.38 -47.8129 -264.401 47.5331 -89.8931 PRESSAVG: 1799600 -1.2168 36.8446 32.7265 36.8447 38.5333 60.576 32.7265 60.5759 -8.68803 GPRESSAVG: 1799600 -1.33324 36.9274 32.281 39.1557 38.6636 59.7247 34.7056 60.677 -8.83082 TIMING: 1799600 CPU: 5760.92, 0.00320659/step Wall: 5760.92, 0.00320659/step, 2.85066 hours remaining, 231.761719 MB of memory in use. ENERGY: 1799600 3981.2319 20495.6798 14483.1767 243.5297 -203428.6646 2597.9931 0.0000 0.0000 51859.5153 -109767.5381 298.0373 -161627.0534 -109419.3684 298.6185 -102.7902 -71.2437 761392.3470 9.5428 9.4998 PRESSURE: 1799800 -484.299 -212.311 201.996 -212.31 -94.8688 -58.0253 201.996 -58.0256 -396.511 GPRESSURE: 1799800 -424.449 -76.586 187.715 -192.231 -58.5793 32.1386 -8.89586 123.046 -425.216 PRESSAVG: 1799800 -7.862 -2.73955 14.3819 -2.73962 13.0419 0.0729635 14.3819 0.0729819 10.2493 GPRESSAVG: 1799800 -8.13791 -3.74509 14.5525 -4.4297 12.9448 -0.214562 13.5023 -0.923759 10.5112 TIMING: 1799800 CPU: 5761.56, 0.00320392/step Wall: 5761.56, 0.00320392/step, 2.8481 hours remaining, 231.761719 MB of memory in use. ENERGY: 1799800 4006.1259 20635.0816 14532.6251 242.8539 -203357.1329 2357.4292 0.0000 0.0000 51968.0555 -109614.9618 298.6611 -161583.0172 -109265.1476 298.8184 -325.2261 -302.7483 759961.3377 5.1431 5.1060 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800000 -16.6021 -67.5018 140.167 -67.502 322.447 57.9772 140.168 57.9769 180.951 GPRESSURE: 1800000 70.3602 -47.9045 142.036 47.103 360.407 47.6008 188.849 -25.7347 140.144 PRESSAVG: 1800000 29.2875 47.0722 -35.3887 47.0721 -55.7146 -9.25764 -35.3887 -9.25766 24.5062 GPRESSAVG: 1800000 31.0679 48.2499 -36.7855 45.3677 -55.7128 -11.3372 -35.4091 -7.29597 22.5923 TIMING: 1800000 CPU: 5762.22, 0.00331549/step Wall: 5762.22, 0.00331549/step, 2.9471 hours remaining, 231.761719 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: 1800000 3945.3117 20445.8597 14478.0495 267.7173 -203457.5557 2539.3998 0.0000 0.0000 52189.2171 -109592.0007 299.9321 -161781.2178 -109231.2066 298.5403 162.2655 190.3037 760570.0333 -0.6403 -0.6842 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 PRESSURE: 1800200 -19.3053 80.998 -83.7594 80.998 199.421 -33.2508 -83.7593 -33.25 -103.967 GPRESSURE: 1800200 -3.36542 97.3402 -67.903 35.8158 187.024 -117.441 4.75764 25.6662 -14.6785 PRESSAVG: 1800200 19.0891 16.0915 25.8022 16.0916 -7.99677 -14.1296 25.8021 -14.1296 -12.1002 GPRESSAVG: 1800200 18.0605 15.2079 27.6655 17.8654 -8.62812 -11.4034 24.1995 -15.338 -10.5919 TIMING: 1800200 CPU: 5762.87, 0.0032176/step Wall: 5762.87, 0.0032176/step, 2.85991 hours remaining, 231.761719 MB of memory in use. ENERGY: 1800200 4026.1532 20441.3150 14549.1713 245.5372 -203709.5794 2750.6069 0.0000 0.0000 52066.2843 -109630.5116 299.2257 -161696.7958 -109276.9144 299.1285 25.3829 56.3268 761400.3008 -0.3359 -0.3865 LDB: ============= START OF LOAD BALANCING ============== 5775.29 LDB: ============== END OF LOAD BALANCING =============== 5775.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5775.3 LDB: ============= START OF LOAD BALANCING ============== 5775.62 LDB: Largest compute 7033 load 0.036969 is 18.9% of average load 0.195442 LDB: Average compute 0.004412 is 2.3% of average load 0.195442 LDB: TIME 5775.62 LOAD: AVG 0.195442 MAX 0.215285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.812 MB LDB: TIME 5775.62 LOAD: AVG 0.195442 MAX 0.215285 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: TIME 5775.62 LOAD: AVG 0.195442 MAX 0.215285 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: ============== END OF LOAD BALANCING =============== 5775.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5775.63 PRESSURE: 1800400 -67.6321 -58.0727 -86.302 -58.0737 396.327 -282.346 -86.3024 -282.344 192.929 GPRESSURE: 1800400 -63.6136 -67.8044 -41.429 -21.7408 465.649 -253.096 9.77291 -348.463 206.713 PRESSAVG: 1800400 14.0673 16.0383 -9.20155 16.0382 23.2316 25.8143 -9.20148 25.8143 19.2343 GPRESSAVG: 1800400 14.0267 18.1737 -11.17 14.9341 23.0912 24.192 -7.70885 25.995 19.3083 TIMING: 1800400 CPU: 5763.52, 0.00326351/step Wall: 5763.52, 0.00326351/step, 2.90053 hours remaining, 230.519531 MB of memory in use. ENERGY: 1800400 3935.8024 20593.3638 14507.8202 248.1833 -203466.2733 2594.0801 0.0000 0.0000 51851.3580 -109735.6656 297.9905 -161587.0235 -109381.0782 299.1554 173.8745 202.9161 760626.4825 18.8444 18.8087 PRESSURE: 1800600 -14.5404 102.61 -63.8857 102.609 73.291 112.91 -63.885 112.909 -28.2671 GPRESSURE: 1800600 86.2146 31.3381 -40.1412 26.3463 27.1515 104.209 144.241 87.6946 6.64145 PRESSAVG: 1800600 -3.78657 42.0346 18.6191 42.0346 18.8304 -8.87645 18.619 -8.87643 -6.21707 GPRESSAVG: 1800600 -3.25316 40.9478 19.3004 43.4837 19.2092 -7.64379 20.2822 -7.77085 -7.21015 TIMING: 1800600 CPU: 5764.16, 0.00319693/step Wall: 5764.16, 0.00319693/step, 2.84118 hours remaining, 230.718750 MB of memory in use. ENERGY: 1800600 3988.8339 20620.5139 14473.0675 261.3558 -203537.2927 2568.7160 0.0000 0.0000 51855.7624 -109769.0432 298.0158 -161624.8056 -109406.3293 298.3161 10.1612 40.0025 759284.2778 2.9423 2.9153 PRESSURE: 1800800 -148.36 64.2163 62.301 64.2169 72.8681 56.7202 62.3013 56.7201 193.033 GPRESSURE: 1800800 -103.397 -38.1331 8.51914 -91.4126 205.455 -32.5158 79.6731 -28.3761 117.806 PRESSAVG: 1800800 48.0284 41.4229 26.297 41.4229 -0.0132825 50.8769 26.2969 50.8768 -13.7668 GPRESSAVG: 1800800 48.5374 42.9061 26.3541 39.0469 -1.01229 50.8594 26.1077 48.9587 -12.8375 TIMING: 1800800 CPU: 5764.8, 0.00317573/step Wall: 5764.8, 0.00317573/step, 2.82217 hours remaining, 230.718750 MB of memory in use. ENERGY: 1800800 4000.8013 20360.7374 14470.4514 270.4710 -203204.4628 2301.8129 0.0000 0.0000 52041.6962 -109758.4927 299.0843 -161800.1888 -109399.8252 298.3357 39.1803 73.2879 758025.8192 11.4161 11.5625 PRESSURE: 1801000 135.486 -112.09 82.016 -112.089 -129.377 -178.3 82.0158 -178.301 -76.154 GPRESSURE: 1801000 97.4317 -200.72 -3.54562 -42.1328 -157.749 -208.455 79.0033 -112.69 74.7025 PRESSAVG: 1801000 -10.55 10.7633 48.7354 10.7633 -47.1121 -23.5231 48.7353 -23.5231 -10.7278 GPRESSAVG: 1801000 -10.1074 8.778 48.951 12.4511 -47.9358 -22.7193 47.8401 -23.1892 -10.0694 TIMING: 1801000 CPU: 5765.43, 0.00317803/step Wall: 5765.43, 0.00317803/step, 2.82403 hours remaining, 230.718750 MB of memory in use. ENERGY: 1801000 3984.5127 20490.8716 14496.8072 252.0864 -203282.7511 2318.6543 0.0000 0.0000 51942.4895 -109797.3295 298.5142 -161739.8190 -109434.0951 298.8573 -23.3483 4.7952 760767.8126 -22.7966 -22.7042 PRESSURE: 1801200 88.3909 -21.6396 -256.469 -21.6395 14.0972 262.046 -256.47 262.047 78.7915 GPRESSURE: 1801200 90.9858 9.47419 -191.607 43.209 96.1126 192.894 -238.609 283.478 98.1612 PRESSAVG: 1801200 49.9614 16.0034 -6.39609 16.0035 -17.8287 45.4382 -6.39616 45.4382 -0.397018 GPRESSAVG: 1801200 48.0396 15.9126 -6.81817 16.6074 -16.0073 44.3266 -5.81772 47.0061 -0.426789 TIMING: 1801200 CPU: 5766.07, 0.00320033/step Wall: 5766.07, 0.00320033/step, 2.84367 hours remaining, 230.718750 MB of memory in use. ENERGY: 1801200 3969.7575 20310.1981 14503.7233 236.0256 -203927.8958 2829.3261 0.0000 0.0000 52128.9288 -109949.9364 299.5857 -162078.8652 -109584.4086 298.5565 60.4265 95.0865 758833.8313 10.5786 10.5352 PRESSURE: 1801400 -200.151 40.4379 -137.349 40.4379 -296.189 19.5679 -137.35 19.5661 -233.711 GPRESSURE: 1801400 -132.98 87.2828 -155.732 89.3998 -339.943 61.5763 -124.863 -86.5749 -176.473 PRESSAVG: 1801400 35.5131 40.1965 38.6809 40.1965 -39.0677 38.1851 38.6809 38.1851 -11.5644 GPRESSAVG: 1801400 36.5084 39.6782 39.2484 42.2371 -39.807 37.3094 38.4419 35.4078 -11.6768 TIMING: 1801400 CPU: 5766.7, 0.00315852/step Wall: 5766.7, 0.00315852/step, 2.80635 hours remaining, 230.718750 MB of memory in use. ENERGY: 1801400 3994.9271 20511.4684 14529.5169 245.7734 -203285.2676 2173.6631 0.0000 0.0000 52033.8045 -109796.1140 299.0390 -161829.9185 -109438.9396 298.8615 -243.3505 -216.4653 760333.3712 -5.0397 -4.9918 PRESSURE: 1801600 -117.657 -260.112 62.9641 -260.112 -83.2158 25.6553 62.9636 25.6568 282.3 GPRESSURE: 1801600 -13.118 -171.725 165.676 -87.5989 -97.6934 -34.574 -46.653 -13.1552 283.3 PRESSAVG: 1801600 41.2385 21.9455 49.5062 21.9455 -52.8931 -6.05442 49.5062 -6.05444 21.0185 GPRESSAVG: 1801600 42.7208 23.42 49.3535 19.8766 -53.9875 -5.54635 49.4092 -2.61836 20.8921 TIMING: 1801600 CPU: 5767.34, 0.00318976/step Wall: 5767.34, 0.00318976/step, 2.83393 hours remaining, 230.718750 MB of memory in use. ENERGY: 1801600 3963.4998 20229.1310 14449.5398 228.7259 -203336.0713 2650.6148 0.0000 0.0000 52070.7049 -109743.8551 299.2511 -161814.5600 -109373.8450 298.8111 27.1425 57.4963 759361.1666 3.1213 3.2085 PRESSURE: 1801800 -192.714 -14.3797 114.962 -14.3793 -135.684 -190.308 114.961 -190.306 -115.946 GPRESSURE: 1801800 -133.018 25.2416 237.408 -22.3918 -94.702 -150.691 125.045 -92.7738 -120.985 PRESSAVG: 1801800 44.3252 23.7545 61.5096 23.7546 -4.29925 24.5598 61.5096 24.5598 10.0809 GPRESSAVG: 1801800 43.1624 22.999 63.0597 23.6764 -2.23818 25.9024 61.9268 20.664 8.88745 TIMING: 1801800 CPU: 5767.98, 0.00317722/step Wall: 5767.98, 0.00317722/step, 2.82261 hours remaining, 230.718750 MB of memory in use. ENERGY: 1801800 3998.4057 20401.6860 14441.9313 252.0654 -203399.3255 2639.0477 0.0000 0.0000 51999.8961 -109666.2933 298.8441 -161666.1894 -109306.5814 299.1382 -148.1149 -116.2350 760025.9176 16.7023 16.6039 PRESSURE: 1802000 -274.514 -67.4324 46.7852 -67.4322 -455.285 -100.301 46.784 -100.301 -545.551 GPRESSURE: 1802000 -262.739 -29.8439 18.3312 -46.4199 -380.495 -88.6368 101.074 -58.1267 -549.186 PRESSAVG: 1802000 37.0512 25.0568 6.66015 25.0568 16.0491 3.51676 6.66021 3.51678 -5.56429 GPRESSAVG: 1802000 36.5321 26.9109 6.42857 25.9217 16.9904 4.40065 5.31237 5.78932 -5.7109 TIMING: 1802000 CPU: 5768.61, 0.0031899/step Wall: 5768.61, 0.0031899/step, 2.83369 hours remaining, 230.718750 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: 1802000 4077.1994 20534.2549 14404.7484 235.2469 -203472.3423 2439.6048 0.0000 0.0000 52031.1298 -109750.1581 299.0236 -161781.2879 -109385.4682 299.2044 -425.1164 -397.4734 760132.2454 15.8453 15.9372 PRESSURE: 1802200 -108.733 84.2442 -334.429 84.2451 -103.072 228.751 -334.429 228.751 -79.7578 GPRESSURE: 1802200 -105.873 16.7767 -382.088 55.7158 15.8372 229.776 -230.621 257.266 -114.863 PRESSAVG: 1802200 -2.57666 -8.67766 -5.63543 -8.6776 -44.3337 26.2625 -5.63539 26.2626 -1.34562 GPRESSAVG: 1802200 -1.18845 -11.3403 -6.11954 -10.2182 -46.2652 26.1597 -4.14912 25.5423 -0.226881 TIMING: 1802200 CPU: 5769.25, 0.00319435/step Wall: 5769.25, 0.00319435/step, 2.83747 hours remaining, 230.718750 MB of memory in use. ENERGY: 1802200 4055.7706 20311.8204 14439.7007 241.4655 -203592.3481 2515.0092 0.0000 0.0000 52199.7213 -109828.8604 299.9925 -162028.5817 -109460.4938 298.8756 -97.1876 -68.2995 760206.7835 -16.0853 -15.8935 PRESSURE: 1802400 -205.532 -208.579 -94.8571 -208.578 -73.7421 -107.667 -94.8579 -107.667 66.4348 GPRESSURE: 1802400 -132.749 -198.231 -46.4778 -176.955 -112.245 -89.9861 12.2812 -80.5684 110.291 PRESSAVG: 1802400 -40.3766 -21.7279 -40.8916 -21.728 14.5973 46.0777 -40.8916 46.0777 12.4562 GPRESSAVG: 1802400 -40.9381 -22.1632 -40.9568 -21.5243 15.558 45.9842 -41.3692 48.7126 12.0257 TIMING: 1802400 CPU: 5769.9, 0.00321395/step Wall: 5769.9, 0.00321395/step, 2.8547 hours remaining, 230.718750 MB of memory in use. ENERGY: 1802400 3994.0029 20463.0839 14478.4032 255.3413 -203225.1546 2195.0643 0.0000 0.0000 51800.4699 -110038.7890 297.6980 -161839.2589 -109672.6616 298.5484 -70.9465 -44.9011 759868.8954 -4.4411 -4.4515 PRESSURE: 1802600 -565.749 8.23963 123.116 8.23902 -130.51 226.932 123.117 226.932 -434.983 GPRESSURE: 1802600 -452.99 -7.04417 49.8864 -76.3698 -168.762 304.871 19.9977 123.09 -433.179 PRESSAVG: 1802600 -3.03902 -73.6827 -15.7279 -73.6827 52.2707 79.4376 -15.7279 79.4376 -24.7866 GPRESSAVG: 1802600 -2.69039 -73.2241 -16.5307 -71.5619 51.3097 79.2278 -14.5241 77.5398 -24.1201 TIMING: 1802600 CPU: 5770.54, 0.00322059/step Wall: 5770.54, 0.00322059/step, 2.86042 hours remaining, 230.718750 MB of memory in use. ENERGY: 1802600 3938.4248 20436.9009 14440.4082 247.1864 -202979.8563 2016.5538 0.0000 0.0000 51759.1154 -110141.2669 297.4603 -161900.3822 -109775.6916 297.8861 -377.0805 -351.6439 760530.0662 8.1484 8.1664 PRESSURE: 1802800 45.5242 -101.025 -70.5761 -101.025 -12.1598 -4.22511 -70.5756 -4.22488 5.38012 GPRESSURE: 1802800 95.029 -170.632 -58.5742 -89.6273 25.7847 44.2384 -27.1072 -7.83065 2.67867 PRESSAVG: 1802800 1.84263 -79.5865 47.4866 -79.5864 4.28813 44.1862 47.4866 44.1863 5.10025 GPRESSAVG: 1802800 2.72126 -79.4918 48.1009 -79.568 4.31146 44.037 46.7073 43.2908 4.77971 TIMING: 1802800 CPU: 5771.18, 0.00321175/step Wall: 5771.18, 0.00321175/step, 2.85239 hours remaining, 230.718750 MB of memory in use. ENERGY: 1802800 4010.0578 20260.8126 14475.1145 277.4353 -203476.8214 2486.5226 0.0000 0.0000 51792.4741 -110174.4044 297.6521 -161966.8785 -109815.3017 297.5407 12.9148 41.1641 760936.8573 3.7437 3.9375 PRESSURE: 1803000 -277.624 -176.917 77.6998 -176.917 -205.509 -57.0814 77.7 -57.0815 -684.464 GPRESSURE: 1803000 -191.665 -31.5364 89.2444 -78.886 -297.817 -54.1459 70.1597 -35.0026 -583.113 PRESSAVG: 1803000 62.5065 71.3379 -19.465 71.338 -50.9696 46.0484 -19.465 46.0485 21.4677 GPRESSAVG: 1803000 60.7113 73.3389 -19.5201 69.508 -50.5014 46.1604 -21.1234 47.3452 22.8989 TIMING: 1803000 CPU: 5771.82, 0.00319126/step Wall: 5771.82, 0.00319126/step, 2.83402 hours remaining, 230.718750 MB of memory in use. ENERGY: 1803000 3928.3063 20251.2988 14449.5052 242.2661 -203232.8864 2554.1985 0.0000 0.0000 51728.2053 -110079.1062 297.2827 -161807.3115 -109716.6356 297.2909 -389.1990 -357.5319 761811.7939 11.0016 11.0362 PRESSURE: 1803200 142.544 4.94275 -52.9907 4.94277 264.735 11.0499 -52.99 11.0491 -164.177 GPRESSURE: 1803200 257.876 -39.7591 -5.49345 29.0046 208.923 77.7927 -59.6304 37.3215 -121.921 PRESSAVG: 1803200 -43.881 71.619 -19.905 71.619 44.1675 -0.69866 -19.905 -0.698705 -9.12846 GPRESSAVG: 1803200 -42.2765 67.9364 -18.6696 71.1664 43.94 -1.00304 -18.1876 -0.4203 -10.7688 TIMING: 1803200 CPU: 5772.46, 0.00318782/step Wall: 5772.46, 0.00318782/step, 2.83078 hours remaining, 230.718750 MB of memory in use. ENERGY: 1803200 3955.9049 20179.5250 14487.0193 254.3581 -203237.5844 2535.1731 0.0000 0.0000 51786.2663 -110039.3377 297.6164 -161825.6040 -109674.0607 297.6714 81.0341 114.9596 761223.9665 -2.9473 -3.0351 PRESSURE: 1803400 198.522 -94.6093 107.286 -94.6101 -40.2805 89.8733 107.286 89.8721 -38.4652 GPRESSURE: 1803400 230.691 -73.5696 146.094 -111.331 -37.1802 155.814 150.073 97.4276 21.5849 PRESSAVG: 1803400 23.5174 75.8849 57.7249 75.8849 -27.7681 8.45614 57.7249 8.45606 -9.33875 GPRESSAVG: 1803400 22.4936 77.1382 56.2114 76.4514 -28.2429 10.8099 57.118 7.41145 -8.10418 TIMING: 1803400 CPU: 5773.1, 0.00321862/step Wall: 5773.1, 0.00321862/step, 2.85796 hours remaining, 230.718750 MB of memory in use. ENERGY: 1803400 3948.3885 20343.0490 14484.9523 240.0834 -203219.0610 2398.5411 0.0000 0.0000 51936.5238 -109867.5229 298.4799 -161804.0468 -109508.6862 297.9353 39.9255 71.6988 760954.2494 -4.5298 -4.6178 PRESSURE: 1803600 95.4717 -225.709 -259.233 -225.708 -138.862 -115.046 -259.233 -115.046 -217.813 GPRESSURE: 1803600 101.435 -197.046 -340.578 -174.563 -81.501 -90.6593 -233.259 0.0769852 -203.7 PRESSAVG: 1803600 62.0633 13.5031 34.4792 13.5031 -25.7663 -1.1987 34.4792 -1.19873 18.675 GPRESSAVG: 1803600 63.5413 13.6024 35.0813 12.8195 -26.2054 -3.5091 33.2434 0.43829 18.0116 TIMING: 1803600 CPU: 5773.74, 0.00321146/step Wall: 5773.74, 0.00321146/step, 2.85142 hours remaining, 230.718750 MB of memory in use. ENERGY: 1803600 3980.9763 20343.3842 14560.9951 259.0956 -203177.4493 2254.8033 0.0000 0.0000 52001.5322 -109776.6625 298.8535 -161778.1948 -109418.7905 298.9925 -87.0678 -61.2554 759975.9700 18.3240 18.4492 PRESSURE: 1803800 -86.2658 103.773 157.728 103.773 -551.098 -143.491 157.728 -143.492 -590.848 GPRESSURE: 1803800 -97.3319 44.2736 207.976 159.824 -438.472 -198.073 134.813 -290.98 -593.211 PRESSAVG: 1803800 80.4834 22.0581 10.7731 22.0582 -33.2332 -52.0575 10.7731 -52.0575 1.30801 GPRESSAVG: 1803800 80.1443 22.9406 9.28865 21.8487 -32.5642 -51.7713 11.4249 -55.9513 2.04451 TIMING: 1803800 CPU: 5774.38, 0.00319366/step Wall: 5774.38, 0.00319366/step, 2.83544 hours remaining, 230.718750 MB of memory in use. ENERGY: 1803800 4000.8742 20312.0308 14504.7760 250.6356 -203016.3584 2030.4045 0.0000 0.0000 52107.8825 -109809.7547 299.4647 -161917.6373 -109452.7827 298.6787 -409.4039 -376.3385 760712.5696 16.1861 16.5415 PRESSURE: 1804000 363.47 -96.5202 -138.848 -96.5206 364.445 -118.28 -138.849 -118.279 -234.962 GPRESSURE: 1804000 375.678 -94.3472 -118.212 -107.545 399.059 -127.2 -144.583 -86.8652 -181.509 PRESSAVG: 1804000 -3.66216 17.5069 17.1022 17.507 16.8438 -51.266 17.1022 -51.2659 17.2792 GPRESSAVG: 1804000 -4.00813 16.926 18.8059 17.856 16.5385 -52.4187 17.3706 -47.6913 18.3287 TIMING: 1804000 CPU: 5775.03, 0.00322964/step Wall: 5775.03, 0.00322964/step, 2.8672 hours remaining, 230.718750 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: 1804000 3997.1951 20447.4936 14582.5166 223.4453 -203296.8180 2680.1233 0.0000 0.0000 51598.3959 -109767.6483 296.5367 -161366.0442 -109412.1559 298.4213 164.3176 197.7428 760271.2186 10.1536 10.2863 PRESSURE: 1804200 -195.064 268.787 207.896 268.787 191.153 137.246 207.895 137.246 -32.2889 GPRESSURE: 1804200 -99.1164 134.326 241.515 212.823 212.432 162.501 260.649 136.977 -53.7132 PRESSAVG: 1804200 7.09125 -21.6773 22.7356 -21.6772 21.0401 -21.7597 22.7357 -21.7597 18.2967 GPRESSAVG: 1804200 6.62742 -20.3255 22.3929 -20.1806 22.3225 -20.5087 23.1047 -22.4475 17.414 TIMING: 1804200 CPU: 5775.67, 0.00321528/step Wall: 5775.67, 0.00321528/step, 2.85428 hours remaining, 230.718750 MB of memory in use. ENERGY: 1804200 4065.1116 20371.5589 14471.7944 257.5351 -203407.5505 2626.0933 0.0000 0.0000 51893.0287 -109722.4285 298.2299 -161615.4572 -109369.0462 298.2479 -12.0668 19.8676 761439.3075 15.4760 15.4546 LDB: ============= START OF LOAD BALANCING ============== 5788.1 LDB: ============== END OF LOAD BALANCING =============== 5788.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5788.1 LDB: ============= START OF LOAD BALANCING ============== 5788.42 LDB: Largest compute 7033 load 0.038398 is 19.7% of average load 0.195266 LDB: Average compute 0.004426 is 2.3% of average load 0.195266 LDB: TIME 5788.42 LOAD: AVG 0.195266 MAX 0.213404 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.07 MB LDB: TIME 5788.42 LOAD: AVG 0.195266 MAX 0.213404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: TIME 5788.42 LOAD: AVG 0.195266 MAX 0.213404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.27 MB LDB: ============== END OF LOAD BALANCING =============== 5788.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5788.43 PRESSURE: 1804400 -332.654 -188.123 59.7982 -188.123 -153.837 -59.0239 59.7984 -59.0237 -105.434 GPRESSURE: 1804400 -348.481 -178.242 140.545 -198.138 -114.269 -122.676 -4.25448 -135.272 -59.2274 PRESSAVG: 1804400 -22.1923 -52.8253 10.8572 -52.8252 -38.7394 -46.4054 10.8572 -46.4054 -0.747847 GPRESSAVG: 1804400 -20.5976 -52.0264 12.6578 -55.7673 -38.6651 -45.5533 9.27159 -46.2666 -1.98155 TIMING: 1804400 CPU: 5776.33, 0.00326575/step Wall: 5776.33, 0.00326575/step, 2.89889 hours remaining, 232.914062 MB of memory in use. ENERGY: 1804400 3976.6680 20513.3647 14488.3659 251.1563 -203297.8572 2572.3298 0.0000 0.0000 51853.0261 -109642.9464 298.0001 -161495.9725 -109286.3885 298.4945 -197.3084 -173.9925 763676.2943 -20.5599 -20.4147 PRESSURE: 1804600 34.5109 15.3876 18.3518 15.3884 -51.4201 9.20477 18.3518 9.20414 151.595 GPRESSURE: 1804600 44.4322 34.6835 -1.72693 81.1382 -60.4451 67.3179 -82.3972 -144.012 248.437 PRESSAVG: 1804600 50.7614 76.1089 -32.1623 76.1089 -39.401 52.312 -32.1623 52.3121 -22.2061 GPRESSAVG: 1804600 50.786 75.7921 -33.7174 77.4653 -40.259 52.3529 -32.8525 48.3644 -21.0574 TIMING: 1804600 CPU: 5776.97, 0.00321692/step Wall: 5776.97, 0.00321692/step, 2.85538 hours remaining, 233.054688 MB of memory in use. ENERGY: 1804600 3989.8184 20563.8330 14513.7300 258.3683 -203057.9790 2351.8779 0.0000 0.0000 51717.2620 -109663.0895 297.2198 -161380.3515 -109304.1409 298.5134 44.8952 77.4747 761817.1654 -3.6153 -3.5101 PRESSURE: 1804800 -52.3831 -18.9035 -290.014 -18.9039 214.656 -35.6244 -290.015 -35.6248 89.9588 GPRESSURE: 1804800 78.1333 -5.46824 -320.313 -14.0216 282.101 -44.1165 -284.774 -108.275 -5.18005 PRESSAVG: 1804800 -24.8296 24.0499 -25.08 24.0498 24.8583 2.51954 -25.08 2.51948 -5.3528 GPRESSAVG: 1804800 -23.8669 22.5757 -24.7087 24.8702 24.3676 0.960416 -24.3101 6.40716 -5.97415 TIMING: 1804800 CPU: 5777.61, 0.00321612/step Wall: 5777.61, 0.00321612/step, 2.85449 hours remaining, 233.054688 MB of memory in use. ENERGY: 1804800 3927.7550 20523.5753 14511.6949 254.8386 -203521.1192 2775.1627 0.0000 0.0000 51965.9338 -109562.1589 298.6489 -161528.0927 -109204.6323 298.9058 84.0774 118.3515 762538.4918 -1.7747 -1.8245 PRESSURE: 1805000 35.0651 7.42404 65.8209 7.42459 -121.042 -215.128 65.8212 -215.129 -52.352 GPRESSURE: 1805000 3.68959 -50.1758 22.87 85.7229 -23.5763 -164.074 151.086 -217.342 -23.4523 PRESSAVG: 1805000 -10.4882 -18.1479 -43.4448 -18.1479 -16.894 -43.6403 -43.4447 -43.6403 20.4551 GPRESSAVG: 1805000 -11.9397 -19.036 -43.4045 -17.5533 -16.188 -43.3348 -43.7572 -43.8129 21.4122 TIMING: 1805000 CPU: 5778.26, 0.00323562/step Wall: 5778.26, 0.00323562/step, 2.87161 hours remaining, 233.054688 MB of memory in use. ENERGY: 1805000 3895.1602 20634.3883 14538.4208 263.3837 -203391.6693 2521.2586 0.0000 0.0000 51964.5419 -109574.5157 298.6409 -161539.0577 -109216.0883 298.9468 -46.1095 -14.4463 762796.8960 -2.3091 -2.2385 PRESSURE: 1805200 -253.451 119.243 236.365 119.244 -252.895 38.9685 236.365 38.9681 -197.385 GPRESSURE: 1805200 -196.132 71.5534 181.895 99.0662 -264.892 33.0236 134.434 75.6995 -147.059 PRESSAVG: 1805200 25.0621 -18.0091 40.5782 -18.0092 -30.3077 -31.1939 40.5782 -31.1939 13.2434 GPRESSAVG: 1805200 26.6936 -16.9907 40.3254 -18.1143 -30.6007 -31.1664 41.9333 -30.7146 11.9471 TIMING: 1805200 CPU: 5778.9, 0.00319809/step Wall: 5778.9, 0.00319809/step, 2.83813 hours remaining, 233.054688 MB of memory in use. ENERGY: 1805200 3990.9538 20508.7830 14556.2968 241.3054 -203517.7120 2587.5796 0.0000 0.0000 51970.4417 -109662.3517 298.6748 -161632.7934 -109316.4900 299.2037 -234.5772 -202.6944 762665.7579 2.6659 2.6800 PRESSURE: 1805400 140.612 132.893 -250.587 132.893 -439.098 157.357 -250.586 157.357 442.549 GPRESSURE: 1805400 33.5068 233.585 -259.613 19.1342 -281.261 219.288 -27.111 39.2571 480.644 PRESSAVG: 1805400 16.9243 14.7059 34.4772 14.7059 -2.50036 -33.9808 34.4772 -33.9808 -5.3695 GPRESSAVG: 1805400 15.1148 14.7545 34.3677 12.5412 -0.734454 -33.1237 33.7126 -33.7059 -5.61676 TIMING: 1805400 CPU: 5779.54, 0.00320017/step Wall: 5779.54, 0.00320017/step, 2.83979 hours remaining, 233.054688 MB of memory in use. ENERGY: 1805400 4026.9917 20260.8811 14613.9022 246.1406 -203247.9055 2379.4908 0.0000 0.0000 51993.1363 -109727.3627 298.8053 -161720.4990 -109367.2165 298.7520 48.0208 77.6300 762347.3846 3.0182 2.9212 PRESSURE: 1805600 -25.06 29.1353 55.0521 29.1359 265.967 11.2875 55.0526 11.2882 250.238 GPRESSURE: 1805600 63.3444 2.54557 -7.69391 101.251 240.796 68.966 -97.368 10.8267 251.973 PRESSAVG: 1805600 -25.7588 31.0626 -5.72387 31.0626 -30.5485 -11.9569 -5.7239 -11.9569 7.8695 GPRESSAVG: 1805600 -24.3558 30.6489 -6.03919 32.4723 -32.0153 -12.2119 -2.80449 -13.4898 8.10193 TIMING: 1805600 CPU: 5780.18, 0.00319745/step Wall: 5780.18, 0.00319745/step, 2.8372 hours remaining, 233.308594 MB of memory in use. ENERGY: 1805600 3990.0036 20339.1971 14529.7913 235.4172 -203479.9773 2776.4222 0.0000 0.0000 51976.1483 -109632.9976 298.7076 -161609.1459 -109262.1949 298.9297 163.7151 185.3710 760973.5558 -16.1459 -16.0897 PRESSURE: 1805800 -471.594 33.2919 174.539 33.2911 -464.478 20.7658 174.54 20.766 -554.525 GPRESSURE: 1805800 -380.985 183.511 157.565 101.471 -459.01 60.322 114.751 91.0942 -586.507 PRESSAVG: 1805800 68.2462 -17.8661 -19.6819 -17.8661 -80.5099 -26.7738 -19.6819 -26.7737 3.86329 GPRESSAVG: 1805800 68.6272 -18.2686 -19.2471 -17.5777 -81.0497 -27.9002 -23.1391 -27.014 4.07424 TIMING: 1805800 CPU: 5780.82, 0.00319058/step Wall: 5780.82, 0.00319058/step, 2.83093 hours remaining, 233.308594 MB of memory in use. ENERGY: 1805800 4116.7725 20486.9220 14575.8333 256.2338 -203387.5060 2393.6096 0.0000 0.0000 52067.8026 -109490.3323 299.2344 -161558.1349 -109125.8400 299.5092 -496.8657 -475.5006 761781.1888 -2.8002 -2.7827 PRESSURE: 1806000 24.6319 -57.6424 75.2269 -57.6422 108.147 -50.7474 75.2279 -50.7481 -183.472 GPRESSURE: 1806000 -16.9613 -120.315 53.3063 -40.2959 172.382 6.13476 -1.29462 18.9199 -138.434 PRESSAVG: 1806000 24.7403 36.6544 20.9796 36.6544 -5.69719 -21.1726 20.9795 -21.1726 13.5328 GPRESSAVG: 1806000 22.8887 39.295 21.933 35.23 -3.619 -19.6267 20.5965 -19.7229 13.5573 TIMING: 1806000 CPU: 5781.45, 0.00318025/step Wall: 5781.45, 0.00318025/step, 2.82159 hours remaining, 233.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1806000 4036.5031 20514.6795 14446.1815 243.7147 -203038.6337 2408.3353 0.0000 0.0000 51975.0563 -109414.1633 298.7014 -161389.2196 -109044.1575 299.2023 -16.8976 5.6620 760751.0431 10.8586 10.9423 PRESSURE: 1806200 -9.05281 -95.8206 67.557 -95.8198 -111.22 137.755 67.5577 137.755 168.681 GPRESSURE: 1806200 -62.5254 -142.786 21.4878 -143.487 59.6147 27.9849 104.577 135.128 134.414 PRESSAVG: 1806200 19.8085 8.66931 30.4973 8.66926 2.42088 7.59871 30.4972 7.59864 9.80725 GPRESSAVG: 1806200 19.2656 7.59575 29.74 8.75104 2.90794 7.09834 33.0496 6.32434 9.31854 TIMING: 1806200 CPU: 5782.09, 0.00318958/step Wall: 5782.09, 0.00318958/step, 2.82969 hours remaining, 233.308594 MB of memory in use. ENERGY: 1806200 3993.3458 20596.0956 14518.9307 237.7971 -203504.5802 2458.6777 0.0000 0.0000 52145.8338 -109553.8995 299.6828 -161699.7333 -109197.2948 298.9925 16.1358 43.8344 761906.0158 10.6789 10.4974 PRESSURE: 1806400 -0.727547 -38.0235 -305.283 -38.0229 122.538 -57.3517 -305.282 -57.3522 197.127 GPRESSURE: 1806400 -57.3916 9.8958 -304.424 -92.1513 192.133 -67.6185 -179.964 -27.1543 274.651 PRESSAVG: 1806400 12.0282 -9.53697 15.0831 -9.53696 39.8384 32.9714 15.0831 32.9714 -18.8352 GPRESSAVG: 1806400 12.645 -9.05415 13.6625 -12.7779 38.8872 32.6223 15.777 32.2172 -18.4692 TIMING: 1806400 CPU: 5782.73, 0.00318546/step Wall: 5782.73, 0.00318546/step, 2.82586 hours remaining, 233.308594 MB of memory in use. ENERGY: 1806400 4010.2987 20505.0848 14579.5252 250.8695 -203505.2028 2742.7329 0.0000 0.0000 51730.9672 -109685.7246 297.2986 -161416.6918 -109338.4079 298.9701 106.3123 136.4642 761235.4150 11.0105 11.0210 PRESSURE: 1806600 217.454 -109.229 -25.8492 -109.228 -51.1288 -112.302 -25.849 -112.301 -285.327 GPRESSURE: 1806600 261.514 -47.6652 -20.2141 -79.3127 -44.211 76.1004 -100.442 -61.1686 -257.414 PRESSAVG: 1806600 15.6052 -15.284 15.5153 -15.284 -5.06828 -22.2524 15.5153 -22.2524 -1.14509 GPRESSAVG: 1806600 14.6657 -15.2535 16.6629 -11.0749 -4.78725 -21.4541 14.3772 -21.3077 -0.738414 TIMING: 1806600 CPU: 5783.37, 0.00320927/step Wall: 5783.37, 0.00320927/step, 2.8468 hours remaining, 233.308594 MB of memory in use. ENERGY: 1806600 3987.8089 20503.8489 14524.1228 251.7173 -203325.2890 2278.6218 0.0000 0.0000 51933.1990 -109845.9703 298.4608 -161779.1693 -109495.4930 297.9668 -39.6672 -13.3706 759815.1660 3.1306 3.0467 PRESSURE: 1806800 -214.027 50.1185 212.586 50.1179 -281.281 -49.9947 212.586 -49.9934 -120.355 GPRESSURE: 1806800 -166.331 -68.1591 107.004 86.7449 -253.659 -93.7049 192.551 -74.7862 -106.055 PRESSAVG: 1806800 25.48 -21.3049 10.8818 -21.3049 -46.0299 31.3116 10.8819 31.3116 -32.5863 GPRESSAVG: 1806800 26.2 -23.8079 9.4123 -19.9363 -46.7198 29.9247 10.554 30.9564 -32.6357 TIMING: 1806800 CPU: 5784.01, 0.00322149/step Wall: 5784.01, 0.00322149/step, 2.85746 hours remaining, 233.308594 MB of memory in use. ENERGY: 1806800 4012.1140 20438.5357 14508.8369 235.6928 -203344.7070 2603.7294 0.0000 0.0000 51722.5782 -109823.2200 297.2504 -161545.7982 -109474.6672 297.8794 -205.2209 -175.3484 760624.8514 -17.7121 -17.7185 PRESSURE: 1807000 298.119 83.0525 122.314 83.0526 -100.176 -26.45 122.314 -26.4485 -254.943 GPRESSURE: 1807000 311.011 74.3269 195.617 -2.25364 -48.7396 20.7132 100.965 -96.8142 -221.47 PRESSAVG: 1807000 3.11709 -93.5521 33.1855 -93.552 -10.0358 -5.1138 33.1854 -5.1139 0.540617 GPRESSAVG: 1807000 2.65443 -93.1622 34.0882 -94.2546 -10.0441 -5.3235 34.1154 -5.40278 0.590732 TIMING: 1807000 CPU: 5784.66, 0.00321066/step Wall: 5784.66, 0.00321066/step, 2.84768 hours remaining, 233.308594 MB of memory in use. ENERGY: 1807000 4049.9886 20374.2743 14488.7193 228.5630 -203368.1827 2590.5771 0.0000 0.0000 51882.8524 -109753.2081 298.1715 -161636.0605 -109396.7971 298.4463 -19.0000 13.6005 761584.3725 -2.1260 -2.2663 PRESSURE: 1807200 -352.029 54.0254 -116.827 54.0255 -78.8334 82.6414 -116.828 82.6422 -81.0172 GPRESSURE: 1807200 -316.592 105.278 -220.01 -17.6333 -10.0635 139.021 -74.5109 47.5055 -103.849 PRESSAVG: 1807200 -26.933 -4.79077 -8.07538 -4.79078 33.1526 -13.2489 -8.07531 -13.2489 -7.99745 GPRESSAVG: 1807200 -26.2758 -1.73529 -6.20238 -5.47289 32.9925 -11.9123 -8.97607 -13.0096 -8.7783 TIMING: 1807200 CPU: 5785.29, 0.00317855/step Wall: 5785.29, 0.00317855/step, 2.81902 hours remaining, 233.308594 MB of memory in use. ENERGY: 1807200 3982.5734 20492.7116 14524.0771 254.2260 -203357.0074 2454.2446 0.0000 0.0000 51834.6146 -109814.5600 297.8942 -161649.1746 -109453.9953 298.5109 -170.6264 -143.5017 762010.9740 -0.5926 -0.6872 PRESSURE: 1807400 -158.831 66.7885 -115.18 66.788 18.0989 55.2021 -115.18 55.2024 271.724 GPRESSURE: 1807400 -157.977 44.7941 -180.226 69.409 43.9791 52.0994 -21.0461 56.7053 350.908 PRESSAVG: 1807400 -52.0621 -4.06507 1.141 -4.065 38.2953 -10.5148 1.14101 -10.5148 -10.5725 GPRESSAVG: 1807400 -51.2816 -5.07808 -1.30672 -3.20493 37.6446 -10.796 2.30348 -12.8214 -10.4851 TIMING: 1807400 CPU: 5785.93, 0.00320784/step Wall: 5785.93, 0.00320784/step, 2.84482 hours remaining, 233.308594 MB of memory in use. ENERGY: 1807400 3963.3864 20483.9124 14524.5426 248.2325 -203560.0663 2768.5224 0.0000 0.0000 51972.6563 -109598.8137 298.6876 -161571.4701 -109238.3678 299.0999 43.6640 78.9698 760603.0028 -8.1131 -8.0407 PRESSURE: 1807600 63.8299 230.043 -77.5987 230.042 -75.9583 -36.9477 -77.5995 -36.9486 -230.126 GPRESSURE: 1807600 67.7509 144.633 -46.5158 246.898 4.70111 32.5787 -44.0829 -108.77 -230.497 PRESSAVG: 1807600 40.0285 3.8028 2.60079 3.80281 -36.6102 29.8681 2.6008 29.8681 8.58426 GPRESSAVG: 1807600 39.9511 3.25159 2.90916 2.62874 -36.7965 30.4723 2.77504 31.1906 9.01939 TIMING: 1807600 CPU: 5786.58, 0.00322934/step Wall: 5786.58, 0.00322934/step, 2.8637 hours remaining, 233.308594 MB of memory in use. ENERGY: 1807600 3973.9389 20491.5016 14531.8226 250.8807 -203256.8804 2664.8812 0.0000 0.0000 51899.0238 -109444.8316 298.2644 -161343.8554 -109078.5341 299.2702 -80.7514 -52.6816 761570.6814 4.0009 4.0580 PRESSURE: 1807800 283.654 -124.563 112.705 -124.563 9.70473 -78.6531 112.705 -78.6536 449.808 GPRESSURE: 1807800 291.293 -132.498 136.05 -180.585 129.147 -20.2191 216.239 -142.344 406.759 PRESSAVG: 1807800 37.7104 -63.0569 23.3263 -63.0569 -80.8749 18.5253 23.3263 18.5253 8.77706 GPRESSAVG: 1807800 37.3684 -63.9686 23.018 -61.4849 -81.027 18.0269 24.1199 19.873 9.63194 TIMING: 1807800 CPU: 5787.21, 0.00317316/step Wall: 5787.21, 0.00317317/step, 2.81372 hours remaining, 233.308594 MB of memory in use. ENERGY: 1807800 3994.6817 20486.3991 14623.8401 254.5422 -203637.0046 2791.8762 0.0000 0.0000 51769.5486 -109716.1167 297.5203 -161485.6653 -109371.2118 298.8401 247.7222 275.7332 762608.9710 -11.4625 -11.3422 PRESSURE: 1808000 143.346 -152.87 -98.7635 -152.87 39.0803 155.213 -98.7637 155.214 31.0766 GPRESSURE: 1808000 78.0628 -157.008 -118.783 -128.198 86.9105 112.379 -33.2693 161.579 87.0781 PRESSAVG: 1808000 57.1896 33.9587 12.2779 33.9587 -19.9808 13.6592 12.2779 13.6593 12.3345 GPRESSAVG: 1808000 58.0841 35.9931 13.5004 31.8085 -19.3291 13.8694 12.2844 13.1864 11.2156 TIMING: 1808000 CPU: 5787.85, 0.00317264/step Wall: 5787.85, 0.00317264/step, 2.81308 hours remaining, 233.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1808000 3949.4904 20342.1597 14553.7227 264.1726 -203672.8939 2466.7050 0.0000 0.0000 52182.6082 -109914.0352 299.8942 -162096.6434 -109551.0177 298.6547 71.1677 84.0171 760722.1715 16.5144 16.6569 PRESSURE: 1808200 -213.979 -14.702 -41.7449 -14.7019 -607.997 45.5871 -41.7447 45.5863 -259.147 GPRESSURE: 1808200 -217.4 -83.3807 9.42686 -127.632 -537.441 131.039 -53.9728 0.599912 -253.135 PRESSAVG: 1808200 47.8277 33.5853 -29.9209 33.5854 -41.6431 23.6475 -29.9208 23.6475 31.7989 GPRESSAVG: 1808200 47.8314 30.5127 -28.481 36.0279 -41.108 23.3634 -32.2565 24.696 31.5832 TIMING: 1808200 CPU: 5788.48, 0.00318172/step Wall: 5788.48, 0.00318172/step, 2.82095 hours remaining, 233.308594 MB of memory in use. ENERGY: 1808200 3962.8346 20412.1501 14573.5733 223.3134 -203053.2182 2143.1365 0.0000 0.0000 51912.7782 -109825.4320 298.3434 -161738.2102 -109463.8874 298.6036 -360.3745 -335.9920 762618.4385 12.6612 12.7688 LDB: ============= START OF LOAD BALANCING ============== 5800.91 LDB: ============== END OF LOAD BALANCING =============== 5800.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5800.92 LDB: ============= START OF LOAD BALANCING ============== 5801.24 LDB: Largest compute 7033 load 0.034750 is 17.8% of average load 0.195481 LDB: Average compute 0.004379 is 2.2% of average load 0.195481 LDB: TIME 5801.24 LOAD: AVG 0.195481 MAX 0.21129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.152 MB LDB: TIME 5801.24 LOAD: AVG 0.195481 MAX 0.21129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: TIME 5801.24 LOAD: AVG 0.195481 MAX 0.21129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: ============== END OF LOAD BALANCING =============== 5801.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5801.25 PRESSURE: 1808400 49.8551 108.478 322.589 108.478 -191.795 29.2987 322.59 29.299 147.264 GPRESSURE: 1808400 102.947 141.166 382.493 45.4979 -181.173 124.255 339.335 19.1626 163.565 PRESSAVG: 1808400 41.9732 21.266 42.677 21.266 -20.3021 29.0309 42.6769 29.0309 -4.88291 GPRESSAVG: 1808400 41.1573 22.3387 39.5121 20.0083 -21.3013 28.7189 44.4833 27.1687 -3.83723 TIMING: 1808400 CPU: 5789.14, 0.00328745/step Wall: 5789.14, 0.00328745/step, 2.91451 hours remaining, 231.625000 MB of memory in use. ENERGY: 1808400 3995.6240 20287.4600 14581.3935 244.8715 -203738.4592 2692.1111 0.0000 0.0000 51997.2438 -109939.7553 298.8289 -161936.9991 -109571.6160 298.2593 1.7747 28.4465 760609.7617 5.5960 5.3396 PRESSURE: 1808600 -135.655 151.842 -162.132 151.842 -361.942 -64.9958 -162.131 -64.9953 -177.413 GPRESSURE: 1808600 -145.387 92.0702 -5.78868 92.616 -295.102 -92.7414 -173.033 18.0015 -129.927 PRESSAVG: 1808600 12.8822 39.5264 18.4554 39.5265 14.9317 65.5735 18.4553 65.5736 0.0391617 GPRESSAVG: 1808600 12.7955 39.1549 20.3346 38.5116 14.37 65.0775 16.9874 67.9041 0.81011 TIMING: 1808600 CPU: 5789.78, 0.00320456/step Wall: 5789.78, 0.00320456/step, 2.84084 hours remaining, 231.953125 MB of memory in use. ENERGY: 1808600 3906.5982 20333.0855 14541.1962 244.7508 -203376.3918 2648.6974 0.0000 0.0000 51754.8653 -109947.1985 297.4359 -161702.0637 -109572.3584 298.2912 -225.0035 -190.1386 760783.0596 9.2844 9.3252 PRESSURE: 1808800 -54.1955 46.7609 -75.757 46.7613 -232.356 -18.4297 -75.757 -18.4303 -46.5266 GPRESSURE: 1808800 -117.53 72.1411 -90.9819 134.871 -175.811 38.6621 -31.4687 -106.984 45.6678 PRESSAVG: 1808800 77.3163 9.47097 -40.1026 9.47098 -55.8879 15.7025 -40.1026 15.7024 -7.09913 GPRESSAVG: 1808800 77.7661 10.9881 -40.4508 11.7016 -55.9187 15.5887 -39.1866 16.0197 -8.02717 TIMING: 1808800 CPU: 5790.42, 0.0032007/step Wall: 5790.42, 0.0032007/step, 2.83725 hours remaining, 232.156250 MB of memory in use. ENERGY: 1808800 3994.6631 20578.9021 14510.8521 232.8436 -203087.4237 2073.9344 0.0000 0.0000 51896.2650 -109799.9635 298.2485 -161696.2285 -109452.1728 298.4843 -111.0262 -82.5577 759403.5928 4.7764 4.6067 PRESSURE: 1809000 -206.849 -37.4281 138.646 -37.4279 -65.9904 365.155 138.646 365.156 -106.366 GPRESSURE: 1809000 -190.904 22.4951 90.6344 8.56177 -23.3172 344.133 25.1226 307.37 -95.9816 PRESSAVG: 1809000 -65.7813 1.17959 0.869895 1.1796 66.2864 24.2114 0.869908 24.2113 -18.1761 GPRESSAVG: 1809000 -67.9905 0.536256 0.317988 -0.403223 67.7733 24.633 -0.754393 23.5383 -17.8525 TIMING: 1809000 CPU: 5791.06, 0.00319384/step Wall: 5791.06, 0.00319384/step, 2.83098 hours remaining, 232.156250 MB of memory in use. ENERGY: 1809000 3922.3150 20323.3923 14588.6133 252.3850 -203365.3602 2620.0996 0.0000 0.0000 51856.4203 -109802.1347 298.0196 -161658.5551 -109440.0304 298.4076 -126.4020 -103.4010 761877.0880 -5.8903 -6.0232 PRESSURE: 1809200 -127.414 -141.967 102.622 -141.968 136.945 205.077 102.622 205.078 -253.679 GPRESSURE: 1809200 -148.121 -181.413 72.9528 -182.679 275.982 219.538 171.673 159.063 -293.228 PRESSAVG: 1809200 19.3911 45.9005 -70.7719 45.9005 23.9984 14.0584 -70.7719 14.0584 -7.87359 GPRESSAVG: 1809200 21.232 45.4231 -70.5493 45.4368 22.5901 15.3967 -68.8643 12.1335 -8.29986 TIMING: 1809200 CPU: 5791.7, 0.00320761/step Wall: 5791.7, 0.00320761/step, 2.84301 hours remaining, 232.156250 MB of memory in use. ENERGY: 1809200 3935.3816 20276.3723 14492.0624 238.4852 -203572.5595 2599.1228 0.0000 0.0000 52172.3028 -109858.8323 299.8349 -162031.1352 -109476.7355 298.6805 -81.3825 -55.1222 761106.6845 11.8386 11.8408 PRESSURE: 1809400 62.2033 -64.4092 82.4697 -64.4089 17.9852 -1.25934 82.4698 -1.25882 -217.177 GPRESSURE: 1809400 77.181 5.311 119.759 86.0278 44.6272 58.3938 -37.9598 -151.236 -148.462 PRESSAVG: 1809400 22.3956 -25.5863 -31.014 -25.5864 -37.9451 16.7579 -31.0139 16.758 -1.39066 GPRESSAVG: 1809400 24.005 -26.5 -29.284 -22.4205 -37.0924 15.5296 -34.8161 16.5923 -2.971 TIMING: 1809400 CPU: 5792.35, 0.00321623/step Wall: 5792.35, 0.00321623/step, 2.85048 hours remaining, 232.156250 MB of memory in use. ENERGY: 1809400 3940.0118 20342.9710 14529.3767 237.2010 -203499.5181 2652.6347 0.0000 0.0000 52103.6312 -109693.6916 299.4403 -161797.3228 -109327.9985 298.2756 -45.6629 -8.8847 761575.8351 -5.6467 -5.3528 PRESSURE: 1809600 5.36267 12.8316 -32.9641 12.8329 -14.4358 -53.8742 -32.9646 -53.8741 -30.8256 GPRESSURE: 1809600 65.7526 47.2979 -28.7399 33.1089 -0.0138348 -43.035 68.8837 -98.8916 -11.2533 PRESSAVG: 1809600 50.8966 7.95238 -3.84938 7.95233 -54.3531 24.9541 -3.84936 24.9542 -12.9236 GPRESSAVG: 1809600 51.7119 9.4819 -6.62583 6.01209 -55.398 25.1102 0.223829 27.0211 -12.2359 TIMING: 1809600 CPU: 5792.99, 0.00322917/step Wall: 5792.99, 0.00322917/step, 2.86176 hours remaining, 232.156250 MB of memory in use. ENERGY: 1809600 3992.3071 20312.3955 14539.9889 265.6667 -203183.4249 2344.4467 0.0000 0.0000 51839.2123 -109889.4077 297.9207 -161728.6200 -109530.5952 298.5194 -13.2996 18.1618 761555.2060 -5.4600 -5.3073 PRESSURE: 1809800 189.164 238.9 -5.61925 238.901 -359.897 -25.5285 -5.61827 -25.5285 -75.9882 GPRESSURE: 1809800 176.811 172.376 -3.51339 369.083 -192.935 -124.931 14.7873 -41.531 -134.476 PRESSAVG: 1809800 128.93 -16.0914 7.04179 -16.0915 -82.7721 16.4968 7.04178 16.4968 16.2989 GPRESSAVG: 1809800 127.285 -16.1976 5.79754 -15.4571 -80.678 15.7817 6.26903 15.8304 16.2789 TIMING: 1809800 CPU: 5793.63, 0.00319663/step Wall: 5793.63, 0.00319663/step, 2.83275 hours remaining, 232.156250 MB of memory in use. ENERGY: 1809800 3973.3964 20501.0491 14560.1663 243.0196 -203647.8485 2752.1182 0.0000 0.0000 51870.1765 -109747.9224 298.0986 -161618.0989 -109384.2566 298.3295 -82.2405 -50.2003 760461.8941 20.8188 20.9619 PRESSURE: 1810000 148.015 59.0803 -227.66 59.0798 140.816 113.337 -227.66 113.336 525.648 GPRESSURE: 1810000 201.806 -22.784 -196.659 19.2391 243.879 68.385 -299.045 72.0961 457.324 PRESSAVG: 1810000 89.5934 14.5449 6.66129 14.5449 -63.8448 37.2308 6.6613 37.2308 -7.13323 GPRESSAVG: 1810000 90.4702 13.9369 9.03668 13.3909 -63.8319 37.1213 5.03615 35.3236 -8.06975 TIMING: 1810000 CPU: 5794.27, 0.00318069/step Wall: 5794.27, 0.00318069/step, 2.81844 hours remaining, 232.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1810000 3945.5771 20506.5537 14537.8098 239.1952 -203633.1648 2719.6595 0.0000 0.0000 51927.7944 -109756.5751 298.4297 -161684.3695 -109387.5287 298.4895 271.4926 301.0028 759482.2208 6.2051 6.1895 PRESSURE: 1810200 -304.685 -106.722 97.4117 -106.722 -76.9291 -46.4783 97.4115 -46.4783 196.416 GPRESSURE: 1810200 -256.502 -99.9345 50.5811 -103.419 -76.8084 -88.0475 113.411 10.4422 222.633 PRESSAVG: 1810200 50.5967 11.2712 11.0571 11.2713 4.74369 25.1953 11.0572 25.1953 23.1799 GPRESSAVG: 1810200 50.167 9.45768 10.2969 11.8429 4.74561 25.3115 11.4729 27.6335 23.7773 TIMING: 1810200 CPU: 5794.91, 0.00319836/step Wall: 5794.91, 0.00319836/step, 2.83393 hours remaining, 232.156250 MB of memory in use. ENERGY: 1810200 3992.4262 20424.3963 14502.0545 252.5923 -203361.3873 2321.1307 0.0000 0.0000 52033.9066 -109834.8807 299.0396 -161868.7874 -109467.9062 298.0607 -61.7329 -36.8926 759441.6039 26.1734 26.2300 PRESSURE: 1810400 -25.449 23.1661 -251.915 23.166 -269.81 269.679 -251.915 269.678 -220.077 GPRESSURE: 1810400 104.431 134.88 -160.688 54.4514 -313.516 286.043 -297.39 172.227 -206.096 PRESSAVG: 1810400 82.1609 28.5899 -45.2463 28.5899 -49.1388 -34.0506 -45.2464 -34.0505 -2.52704 GPRESSAVG: 1810400 82.8305 31.3948 -45.29 28.3945 -49.8788 -33.8589 -46.1143 -32.9577 -2.23331 TIMING: 1810400 CPU: 5795.55, 0.00321887/step Wall: 5795.55, 0.00321887/step, 2.85192 hours remaining, 232.156250 MB of memory in use. ENERGY: 1810400 4040.5291 20510.8796 14451.7182 248.0855 -203079.2076 2381.1553 0.0000 0.0000 51691.9793 -109754.8606 297.0745 -161446.8399 -109400.9459 298.6533 -171.7786 -138.3936 761191.6950 10.1650 10.2395 PRESSURE: 1810600 50.3758 96.2912 129.011 96.2904 -118.442 -31.9547 129.01 -31.9546 138.834 GPRESSURE: 1810600 66.2542 134.888 120.96 105.027 -51.158 48.5707 235.618 48.9102 153.073 PRESSAVG: 1810600 -22.8242 57.361 -9.14075 57.361 -7.60238 49.6837 -9.14073 49.6838 8.44148 GPRESSAVG: 1810600 -23.9562 58.9173 -8.01121 56.6717 -7.4785 51.1356 -7.72646 47.7729 9.90796 TIMING: 1810600 CPU: 5796.19, 0.00321801/step Wall: 5796.19, 0.00321801/step, 2.85097 hours remaining, 232.156250 MB of memory in use. ENERGY: 1810600 4008.8034 20333.2830 14538.6286 235.4608 -203646.9995 2680.1214 0.0000 0.0000 52038.9387 -109811.7636 299.0685 -161850.7023 -109445.2004 297.8529 23.5893 56.0565 759584.9389 -7.3284 -7.1756 PRESSURE: 1810800 443.153 292.678 104.153 292.677 8.83343 -38.0219 104.153 -38.0217 180.86 GPRESSURE: 1810800 430.894 233.054 83.3948 280.337 157.924 17.0095 55.1211 -105.099 138.28 PRESSAVG: 1810800 94.6344 13.3708 -4.72425 13.3709 -69.7142 4.72803 -4.72432 4.72804 -1.22934 GPRESSAVG: 1810800 95.1435 12.3993 -5.98719 12.8215 -68.2451 3.61844 -4.19516 4.90397 -2.73987 TIMING: 1810800 CPU: 5796.84, 0.00320885/step Wall: 5796.84, 0.00320885/step, 2.84268 hours remaining, 232.156250 MB of memory in use. ENERGY: 1810800 4003.5732 20354.0519 14493.2967 234.5869 -203711.2364 2779.6050 0.0000 0.0000 52271.1817 -109574.9412 300.4032 -161846.1229 -109209.1299 298.4558 210.9489 242.3661 759603.5136 7.8969 8.0528 PRESSURE: 1811000 -47.8082 -162.162 28.6578 -162.162 -152.725 -101.088 28.6576 -101.088 291.578 GPRESSURE: 1811000 44.7911 -103.924 -9.45225 -164.691 -170.133 -87.6022 -23.8798 13.3279 293.848 PRESSAVG: 1811000 74.3028 5.39969 -40.5775 5.39965 -21.6438 14.548 -40.5775 14.548 6.08976 GPRESSAVG: 1811000 74.228 4.70512 -40.6331 4.8875 -22.7583 15.9846 -40.2934 15.111 7.6891 TIMING: 1811000 CPU: 5797.48, 0.00320618/step Wall: 5797.48, 0.00320618/step, 2.84014 hours remaining, 232.156250 MB of memory in use. ENERGY: 1811000 4050.2178 20354.5806 14521.5803 255.0398 -203680.2288 2783.7602 0.0000 0.0000 52028.3776 -109686.6724 299.0078 -161715.0499 -109324.4859 299.0388 30.3485 56.1686 761527.3782 19.5829 19.7196 PRESSURE: 1811200 -150.214 -54.5944 80.0514 -54.5941 -169.976 233.971 80.0512 233.97 93.0372 GPRESSURE: 1811200 -97.7551 -85.4965 27.0032 -56.9631 -161.394 183.73 148.075 280.657 109.67 PRESSAVG: 1811200 56.6443 11.126 -0.361205 11.126 -51.7163 17.0973 -0.361226 17.0972 -23.6518 GPRESSAVG: 1811200 57.0669 10.4024 0.455403 12.3529 -53.2304 16.0445 -1.82088 15.7295 -22.6676 TIMING: 1811200 CPU: 5798.11, 0.00318153/step Wall: 5798.11, 0.00318153/step, 2.81813 hours remaining, 232.156250 MB of memory in use. ENERGY: 1811200 4082.1601 20569.0672 14406.5697 248.6459 -203546.3382 2552.0472 0.0000 0.0000 52074.0344 -109613.8136 299.2702 -161687.8480 -109244.8462 298.5434 -75.7176 -49.8265 760812.7543 -6.2413 -6.2770 PRESSURE: 1811400 100.528 -139.688 -133.287 -139.688 -90.2445 80.3657 -133.287 80.3657 -174.862 GPRESSURE: 1811400 148.812 -119.606 -176.736 -106.259 -95.768 171.704 -186.087 121.46 -101.972 PRESSAVG: 1811400 81.2479 9.19319 15.9818 9.19323 -41.4615 36.7478 15.9819 36.7478 32.4445 GPRESSAVG: 1811400 81.6548 8.69517 17.2227 9.02492 -40.1727 36.2977 17.0321 36.9685 30.3362 TIMING: 1811400 CPU: 5798.75, 0.00318425/step Wall: 5798.75, 0.00318425/step, 2.82036 hours remaining, 232.156250 MB of memory in use. ENERGY: 1811400 3980.7812 20475.8915 14418.1191 249.5422 -203252.4560 2356.2053 0.0000 0.0000 52151.8502 -109620.0666 299.7174 -161771.9168 -109250.7820 299.0409 -54.8596 -16.3095 760792.7327 24.0770 23.9394 PRESSURE: 1811600 118.414 -172.329 -129.573 -172.329 -117.469 72.7263 -129.573 72.7266 -161.401 GPRESSURE: 1811600 172.486 -181.294 -118.955 -132.55 -140.278 20.114 -112.067 194.368 -113.973 PRESSAVG: 1811600 57.3237 17.0635 -8.66304 17.0635 -40.9754 33.726 -8.66302 33.7259 7.84505 GPRESSAVG: 1811600 57.9945 17.7883 -8.16319 17.9756 -40.9105 33.9493 -10.037 34.7314 7.26994 TIMING: 1811600 CPU: 5799.39, 0.00321457/step Wall: 5799.39, 0.00321457/step, 2.84704 hours remaining, 232.156250 MB of memory in use. ENERGY: 1811600 3977.1897 20549.4213 14454.7809 228.1630 -203121.5096 2319.2176 0.0000 0.0000 52017.2554 -109575.4816 298.9439 -161592.7371 -109223.2219 299.2179 -53.4851 -27.2552 760796.3590 8.0645 8.1180 PRESSURE: 1811800 27.7855 347.54 91.0502 347.539 -185.156 -42.6194 91.0507 -42.6193 -42.9112 GPRESSURE: 1811800 -65.2738 391.728 89.6598 289.959 -108.998 -56.824 24.5216 8.91033 54.907 PRESSAVG: 1811800 52.1249 -11.4967 -11.3058 -11.4967 -11.1878 56.0583 -11.3058 56.0583 -6.71754 GPRESSAVG: 1811800 49.1078 -11.2114 -11.4254 -11.8783 -10.2108 55.0937 -10.9723 56.2449 -4.88408 TIMING: 1811800 CPU: 5800.04, 0.00324833/step Wall: 5800.04, 0.00324833/step, 2.87675 hours remaining, 232.156250 MB of memory in use. ENERGY: 1811800 3876.2083 20380.9435 14510.6468 241.9151 -203125.8878 2440.9224 0.0000 0.0000 51891.5339 -109783.7177 298.2214 -161675.2517 -109419.0182 298.6852 -66.7606 -39.7882 760890.9206 11.4065 11.3376 PRESSURE: 1812000 157.666 -258.967 -50.4466 -258.967 -280.458 5.69402 -50.4466 5.69321 -192.801 GPRESSURE: 1812000 204.423 -333.729 -118.096 -242.612 -131.383 74.759 -102.967 -157.556 -276.914 PRESSAVG: 1812000 22.2612 18.6694 7.14758 18.6693 -35.7009 39.4411 7.14756 39.441 -8.5049 GPRESSAVG: 1812000 23.9492 17.1446 4.10466 18.1191 -36.4021 39.6049 9.05853 37.7921 -9.22993 TIMING: 1812000 CPU: 5800.68, 0.00320511/step Wall: 5800.68, 0.00320511/step, 2.8383 hours remaining, 232.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1812000 4036.0543 20438.4646 14484.2261 227.0258 -203696.2519 2583.3255 0.0000 0.0000 52141.9049 -109785.2505 299.6602 -161927.1553 -109435.1029 298.9333 -105.1975 -67.9580 758920.4638 -7.3149 -7.2276 PRESSURE: 1812200 267.352 -53.2663 84.1525 -53.2665 13.4106 -122.21 84.1521 -122.21 -183.674 GPRESSURE: 1812200 198.357 -130.275 193.137 91.438 96.1473 -61.2359 -58.2945 -88.4163 -142.194 PRESSAVG: 1812200 40.6348 -32.5404 29.9063 -32.5404 -53.8077 57.6979 29.9063 57.698 -19.2494 GPRESSAVG: 1812200 41.233 -29.6655 31.3796 -33.2139 -53.2333 57.6411 28.3555 57.3483 -20.2433 TIMING: 1812200 CPU: 5801.32, 0.00317182/step Wall: 5801.32, 0.00317182/step, 2.80865 hours remaining, 232.156250 MB of memory in use. ENERGY: 1812200 3988.7449 20340.6176 14478.7975 283.5729 -203301.0133 2242.4968 0.0000 0.0000 51887.8653 -110078.9183 298.2003 -161966.7836 -109716.3079 298.7350 32.3627 50.7699 758382.2111 -10.8074 -10.7479 LDB: ============= START OF LOAD BALANCING ============== 5813.74 LDB: ============== END OF LOAD BALANCING =============== 5813.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5813.75 LDB: ============= START OF LOAD BALANCING ============== 5814.07 LDB: Largest compute 7033 load 0.037312 is 19.1% of average load 0.195453 LDB: Average compute 0.004398 is 2.3% of average load 0.195453 LDB: TIME 5814.07 LOAD: AVG 0.195453 MAX 0.215677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.883 MB LDB: TIME 5814.07 LOAD: AVG 0.195453 MAX 0.215677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: TIME 5814.07 LOAD: AVG 0.195453 MAX 0.215677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.957 MB LDB: ============== END OF LOAD BALANCING =============== 5814.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5814.08 PRESSURE: 1812400 30.2538 -28.3665 -83.9681 -28.3658 304.317 15.3187 -83.9675 15.3184 217.585 GPRESSURE: 1812400 51.4793 96.6682 -100.377 -60.1085 346.686 -31.1543 -88.2999 10.0595 226.092 PRESSAVG: 1812400 43.5828 -5.01025 -12.964 -5.01025 26.6235 -34.5936 -12.964 -34.5937 -2.11153 GPRESSAVG: 1812400 43.5553 -4.50115 -12.7746 -7.47677 26.6281 -35.0116 -12.1791 -33.5893 -1.73723 TIMING: 1812400 CPU: 5801.97, 0.00326972/step Wall: 5801.97, 0.00326972/step, 2.89516 hours remaining, 230.601562 MB of memory in use. ENERGY: 1812400 3879.4554 20351.4222 14515.2374 251.8333 -203542.8478 2473.6483 0.0000 0.0000 51819.4215 -110251.8296 297.8069 -162071.2511 -109887.2524 297.9238 184.0520 208.0856 758786.6774 22.6983 22.8154 PRESSURE: 1812600 -196.428 -82.7742 10.8203 -82.7757 227.349 -49.1925 10.8194 -49.1916 107.338 GPRESSURE: 1812600 -96.8352 -170.243 74.1424 -41.0558 197.166 -128.422 28.0603 3.01575 111.561 PRESSAVG: 1812600 -6.97123 45.107 8.09754 45.107 30.002 -1.34787 8.09751 -1.34791 -8.94976 GPRESSAVG: 1812600 -7.86714 44.2716 10.4274 48.2023 30.6695 -2.22091 6.33655 -0.731627 -9.1645 TIMING: 1812600 CPU: 5802.61, 0.00318221/step Wall: 5802.61, 0.00318221/step, 2.81749 hours remaining, 230.601562 MB of memory in use. ENERGY: 1812600 3945.5797 20320.7398 14390.5073 262.7074 -203555.2732 2507.5929 0.0000 0.0000 51968.6493 -110159.4969 298.6645 -162128.1462 -109801.0697 297.4943 46.0865 70.6307 760418.8794 4.6937 4.5460 PRESSURE: 1812800 102.384 -64.0621 -43.5163 -64.063 106.82 -222.604 -43.5167 -222.605 -302.14 GPRESSURE: 1812800 176.731 -46.6492 -54.4778 -214.652 81.5395 -248.607 -47.5864 -133.587 -298.611 PRESSAVG: 1812800 34.4705 -9.52229 21.214 -9.52232 25.8826 -5.76094 21.214 -5.76105 1.88498 GPRESSAVG: 1812800 34.9824 -11.0933 20.8284 -8.61003 25.2423 -5.82649 20.858 -5.13313 2.40386 TIMING: 1812800 CPU: 5803.25, 0.00318568/step Wall: 5803.25, 0.00318568/step, 2.82039 hours remaining, 230.601562 MB of memory in use. ENERGY: 1812800 3877.3525 20399.6192 14545.0651 240.8239 -203218.0246 2268.8188 0.0000 0.0000 51954.8894 -109931.4556 298.5855 -161886.3450 -109565.2598 297.9328 -30.9786 -13.4470 759785.6323 20.7460 20.8762 PRESSURE: 1813000 145.048 -17.8375 -14.0199 -17.8382 187.151 51.2629 -14.0195 51.2629 87.5393 GPRESSURE: 1813000 194.737 84.0063 -39.1667 -98.5044 167.414 57.5267 -20.573 4.40897 149.167 PRESSAVG: 1813000 39.5421 3.37605 24.5897 3.37611 -12.1375 69.084 24.5897 69.084 -8.8794 GPRESSAVG: 1813000 40.7715 4.26694 23.8328 1.26729 -12.9404 70.9276 24.3989 67.8695 -9.78535 TIMING: 1813000 CPU: 5803.89, 0.00320279/step Wall: 5803.89, 0.00320279/step, 2.83536 hours remaining, 230.601562 MB of memory in use. ENERGY: 1813000 3938.5299 20572.4128 14507.5069 260.4442 -203113.2862 2301.9169 0.0000 0.0000 51638.5485 -109893.9270 296.7674 -161532.4755 -109540.2748 298.2794 139.9127 170.4390 760828.4028 6.1751 6.0153 PRESSURE: 1813200 235.596 184.229 -119.749 184.228 10.7576 35.6498 -119.75 35.65 280.761 GPRESSURE: 1813200 214.942 34.1373 -68.688 154.478 152.832 24.1014 -77.5563 141.493 244.103 PRESSAVG: 1813200 18.2003 48.2942 37.5964 48.2943 -27.5157 22.8106 37.5964 22.8107 -8.66268 GPRESSAVG: 1813200 17.2297 48.4194 37.013 47.953 -27.0904 23.5176 39.2049 23.3439 -7.94308 TIMING: 1813200 CPU: 5804.53, 0.00321894/step Wall: 5804.53, 0.00321894/step, 2.84948 hours remaining, 230.601562 MB of memory in use. ENERGY: 1813200 3963.7750 20401.9869 14442.5728 241.7043 -203686.3845 2875.0043 0.0000 0.0000 51817.4529 -109943.8883 297.7956 -161761.3412 -109583.7177 298.3788 175.7049 203.9589 759917.8632 -5.9927 -5.9346 PRESSURE: 1813400 128.868 -5.49464 -317.707 -5.49463 -340.485 314.538 -317.708 314.538 342.46 GPRESSURE: 1813400 197.375 -109.371 -232.71 -26.4813 -309.008 314.036 -243.084 190.918 312.315 PRESSAVG: 1813400 -19.6856 29.8135 8.84824 29.8136 -27.9684 25.8383 8.84826 25.8383 -6.09878 GPRESSAVG: 1813400 -19.1662 30.7052 8.89019 31.1245 -28.5306 25.5573 10.591 24.5043 -6.14757 TIMING: 1813400 CPU: 5805.18, 0.00326055/step Wall: 5805.18, 0.00326055/step, 2.88613 hours remaining, 230.601562 MB of memory in use. ENERGY: 1813400 3921.4418 20463.1720 14512.8452 246.8754 -203056.0600 2195.2479 0.0000 0.0000 51865.3295 -109851.1482 298.0708 -161716.4776 -109492.8236 297.9812 43.6141 66.8938 759923.6429 -17.9176 -17.9481 PRESSURE: 1813600 80.0859 -12.3999 138.776 -12.4012 -176.286 -29.9738 138.777 -29.9733 -437.216 GPRESSURE: 1813600 26.2693 31.1553 168.863 21.0372 -142.006 -10.4048 118.587 85.0029 -326.761 PRESSAVG: 1813600 21.7765 25.3163 16.4858 25.3163 -29.6324 -57.8655 16.4859 -57.8655 -6.42989 GPRESSAVG: 1813600 21.8251 23.379 16.9436 25.6499 -30.9325 -57.2902 15.4471 -58.5516 -5.18792 TIMING: 1813600 CPU: 5805.84, 0.00328457/step Wall: 5805.84, 0.00328457/step, 2.90721 hours remaining, 230.601562 MB of memory in use. ENERGY: 1813600 3884.6858 20395.8206 14517.2466 255.8040 -202987.9681 2220.6078 0.0000 0.0000 51855.5859 -109858.2174 298.0148 -161713.8033 -109498.0036 298.5342 -177.8052 -147.4992 761211.1852 -4.7619 -4.7651 PRESSURE: 1813800 69.0883 144.706 -36.8464 144.707 -92.1737 108.561 -36.8468 108.561 415.706 GPRESSURE: 1813800 128.739 145.409 -79.0305 198.197 16.6904 119.444 6.69542 94.9071 336.544 PRESSAVG: 1813800 7.88064 29.4866 70.7502 29.4866 -29.3029 44.1852 70.7503 44.1853 -3.23574 GPRESSAVG: 1813800 8.84873 28.4928 70.3202 30.2239 -28.8756 44.7042 69.3003 44.6413 -4.72964 TIMING: 1813800 CPU: 5806.49, 0.00323539/step Wall: 5806.49, 0.00323539/step, 2.8635 hours remaining, 230.601562 MB of memory in use. ENERGY: 1813800 3963.6145 20348.4876 14571.4273 259.1213 -203518.7854 2668.4300 0.0000 0.0000 51863.3273 -109844.3775 298.0593 -161707.7048 -109478.1532 298.9528 130.8734 160.6579 760396.4778 -8.2193 -8.2522 PRESSURE: 1814000 -193.742 136.066 146.491 136.067 94.0058 -350.378 146.49 -350.38 -339.87 GPRESSURE: 1814000 -133.321 83.9536 137.659 72.9607 153.338 -338.173 191.989 -201.83 -394.458 PRESSAVG: 1814000 -28.4685 15.1705 47.3684 15.1706 9.94026 -19.1841 47.3684 -19.1841 7.35898 GPRESSAVG: 1814000 -28.434 16.876 46.0594 14.5948 9.41734 -22.0949 49.7844 -18.2344 7.77699 TIMING: 1814000 CPU: 5807.13, 0.00321537/step Wall: 5807.13, 0.00321537/step, 2.8456 hours remaining, 230.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1814000 3929.7298 20390.5773 14561.9250 242.6060 -203610.0274 2392.4614 0.0000 0.0000 52144.9047 -109947.8233 299.6775 -162092.7280 -109585.2945 298.0082 -146.5356 -124.8137 760490.1413 -3.7231 -3.7466 PRESSURE: 1814200 108.613 -151.71 88.9635 -151.71 241.911 -113.067 88.9648 -113.067 328.121 GPRESSURE: 1814200 166.394 -19.8236 94.7134 -80.8901 268.361 -212.474 -7.13618 -104.965 333.495 PRESSAVG: 1814200 15.1716 -9.23556 28.6436 -9.23557 -19.556 -59.9034 28.6436 -59.9033 -8.7741 GPRESSAVG: 1814200 15.5747 -10.2969 27.9246 -7.55775 -18.6209 -57.9207 27.3702 -59.4446 -9.16705 TIMING: 1814200 CPU: 5807.79, 0.00327658/step Wall: 5807.79, 0.00327658/step, 2.89959 hours remaining, 230.601562 MB of memory in use. ENERGY: 1814200 3927.2982 20544.4849 14585.4830 251.8565 -203471.4735 2627.0163 0.0000 0.0000 51678.1741 -109857.1605 296.9952 -161535.3346 -109497.1530 298.5885 226.2152 256.0834 762228.5553 -4.3862 -4.0711 PRESSURE: 1814400 432.134 179.6 -24.6935 179.6 162.106 19.2197 -24.6944 19.2203 249.233 GPRESSURE: 1814400 463.144 -10.4456 -39.148 144.17 216.14 -60.2206 -63.3946 37.2534 254.49 PRESSAVG: 1814400 52.4756 -52.0555 -1.06092 -52.0555 -48.0763 9.68303 -1.06089 9.68293 12.3695 GPRESSAVG: 1814400 52.5685 -53.61 -0.679403 -54.8339 -48.1408 9.16361 1.12556 7.28106 12.4809 TIMING: 1814400 CPU: 5808.44, 0.00325466/step Wall: 5808.44, 0.00325466/step, 2.88001 hours remaining, 230.601562 MB of memory in use. ENERGY: 1814400 3968.3528 20325.6384 14585.2327 234.1846 -203792.4214 2891.5175 0.0000 0.0000 52043.9908 -109743.5045 299.0975 -161787.4954 -109384.7524 298.6096 281.1576 311.2579 761158.8570 5.5896 5.6362 PRESSURE: 1814600 112.361 46.1232 -18.2405 46.1232 -187.575 -53.74 -18.2411 -53.7393 243.317 GPRESSURE: 1814600 88.9799 129.893 -53.6722 11.699 -102.956 -71.9311 76.9199 -6.62772 264.71 PRESSAVG: 1814600 53.6623 -32.5533 23.6941 -32.5533 -13.6922 0.918802 23.6941 0.918782 -0.447535 GPRESSAVG: 1814600 53.4123 -30.6943 24.3617 -31.4281 -13.6195 1.51945 22.433 0.58499 0.208654 TIMING: 1814600 CPU: 5809.09, 0.00325559/step Wall: 5809.09, 0.00325559/step, 2.88066 hours remaining, 230.601562 MB of memory in use. ENERGY: 1814600 3989.9416 20488.5165 14486.8314 257.8031 -203703.3487 2795.7293 0.0000 0.0000 52039.2879 -109645.2390 299.0705 -161684.5269 -109282.3149 298.7591 56.0345 83.5779 760355.0397 13.1742 13.3338 PRESSURE: 1814800 -125.497 -80.2966 2.44151 -80.2966 -201.264 -90.6885 2.44167 -90.6882 316.447 GPRESSURE: 1814800 -103.119 -157.574 34.8513 -55.3863 -127.604 -116.794 4.13087 -136.963 313.029 PRESSAVG: 1814800 -20.0145 -15.3489 10.6122 -15.3489 -1.06503 -56.9867 10.6122 -56.9866 0.843644 GPRESSAVG: 1814800 -20.6707 -13.8104 10.3568 -15.2492 0.323505 -58.0151 8.80793 -54.7401 0.282601 TIMING: 1814800 CPU: 5809.74, 0.00327129/step Wall: 5809.74, 0.00327129/step, 2.89437 hours remaining, 230.601562 MB of memory in use. ENERGY: 1814800 3924.6683 20650.5763 14483.5382 246.5594 -203377.9377 2518.4411 0.0000 0.0000 52006.6972 -109547.4571 298.8832 -161554.1543 -109190.8085 299.8049 -3.4379 27.4354 761159.8462 -6.7453 -6.6882 PRESSURE: 1815000 95.7488 -274.668 -27.9745 -274.668 240.782 209.816 -27.9746 209.816 -145.144 GPRESSURE: 1815000 201.203 -257.412 31.8215 -153.185 304.008 135.387 13.0724 164.336 -225.222 PRESSAVG: 1815000 20.955 -47.9846 36.2981 -47.9846 -13.8822 21.5411 36.2981 21.5411 -16.5276 GPRESSAVG: 1815000 20.1852 -48.7473 37.1963 -48.0157 -13.4438 22.1629 38.1636 20.67 -16.3385 TIMING: 1815000 CPU: 5810.39, 0.00325977/step Wall: 5810.39, 0.00325977/step, 2.88399 hours remaining, 230.601562 MB of memory in use. ENERGY: 1815000 3961.2880 20403.6225 14509.2148 222.4170 -203337.2837 2692.0793 0.0000 0.0000 52137.6003 -109411.0618 299.6355 -161548.6622 -109045.2721 299.1164 63.7958 93.3299 760837.7203 -3.1516 -3.1990 PRESSURE: 1815200 -49.9339 -48.8757 -31.3114 -48.876 153.889 -10.7959 -31.311 -10.7955 -200.611 GPRESSURE: 1815200 -70.0749 31.4367 -46.5038 -31.6495 212.468 -38.0867 -80.7557 -0.196296 -161.327 PRESSAVG: 1815200 -48.434 -27.4776 13.9834 -27.4777 31.4524 11.0365 13.9834 11.0364 0.548487 GPRESSAVG: 1815200 -48.6557 -28.271 12.7977 -29.7658 31.1579 10.708 13.5195 9.75368 0.936117 TIMING: 1815200 CPU: 5811.04, 0.00321263/step Wall: 5811.04, 0.00321263/step, 2.8421 hours remaining, 230.601562 MB of memory in use. ENERGY: 1815200 4000.2505 20526.0041 14489.0285 261.4115 -203096.5273 2258.4883 0.0000 0.0000 52266.6618 -109294.6827 300.3772 -161561.3445 -108934.3732 299.6409 -32.2188 -6.3115 760013.3089 -5.4777 -5.5206 PRESSURE: 1815400 132.989 -152.515 117.885 -152.516 103.072 -106.289 117.886 -106.288 142.044 GPRESSURE: 1815400 160.363 -122.436 149.497 -50.4463 133.557 -141.655 26.1185 -213.688 179.091 PRESSAVG: 1815400 -20.0737 -20.8953 32.4583 -20.8953 37.4279 -4.86693 32.4584 -4.86694 21.6342 GPRESSAVG: 1815400 -18.6464 -22.1237 33.4227 -16.7816 36.7715 -3.20356 32.4449 -5.90173 21.2436 TIMING: 1815400 CPU: 5811.69, 0.00328523/step Wall: 5811.69, 0.00328523/step, 2.90615 hours remaining, 230.601562 MB of memory in use. ENERGY: 1815400 3947.1013 20593.7434 14548.3474 255.5309 -203408.6517 2620.5291 0.0000 0.0000 52021.7887 -109421.6109 298.9699 -161443.3997 -109069.7233 299.9641 126.0346 157.6706 761030.8094 12.9961 13.1229 PRESSURE: 1815600 206.473 89.6744 -42.4605 89.6753 115.358 -217.153 -42.4604 -217.152 417.688 GPRESSURE: 1815600 89.7514 106.781 -82.9003 21.0691 241.677 -206.616 32.39 -137.359 467.576 PRESSAVG: 1815600 11.1819 -6.86753 35.8632 -6.86756 -26.7155 -24.634 35.8632 -24.634 -10.3258 GPRESSAVG: 1815600 10.379 -4.66889 35.5187 -10.1156 -26.338 -24.799 36.8533 -23.1898 -10.0693 TIMING: 1815600 CPU: 5812.34, 0.00324701/step Wall: 5812.34, 0.00324701/step, 2.87216 hours remaining, 230.601562 MB of memory in use. ENERGY: 1815600 3897.7698 20647.1705 14535.7810 249.1264 -203668.5750 2723.6358 0.0000 0.0000 52003.9411 -109611.1504 298.8674 -161615.0914 -109251.0138 299.1669 246.5064 266.3351 759819.0814 -8.6198 -8.6761 PRESSURE: 1815800 50.5419 42.7573 -2.95558 42.757 -136.376 209.576 -2.95615 209.576 -21.8784 GPRESSURE: 1815800 69.5973 -44.1302 10.4727 -15.8181 -74.7389 186.801 -73.7128 169.9 -22.1412 PRESSAVG: 1815800 22.1162 -42.5746 -9.81783 -42.5746 -62.1737 -32.8986 -9.81784 -32.8987 11.2893 GPRESSAVG: 1815800 22.1866 -41.7201 -9.355 -42.9932 -61.4029 -34.3887 -8.73934 -34.3175 10.6956 TIMING: 1815800 CPU: 5812.99, 0.00323768/step Wall: 5812.99, 0.00323768/step, 2.86373 hours remaining, 230.601562 MB of memory in use. ENERGY: 1815800 3937.5124 20663.5914 14544.3334 243.0452 -203346.6584 2390.6269 0.0000 0.0000 52003.6011 -109563.9479 298.8654 -161567.5491 -109208.4763 298.5803 -35.9041 -9.0943 761084.7204 -9.5894 -9.5069 PRESSURE: 1816000 223.541 -153.801 -57.5985 -153.802 101.527 -173.98 -57.5986 -173.979 -328.315 GPRESSURE: 1816000 228.432 -99.7756 -120.063 -148.926 225.304 -159.584 -59.4263 -193.474 -374.437 PRESSAVG: 1816000 -28.8251 1.63604 -2.24562 1.63598 35.0933 -4.16852 -2.2456 -4.16852 17.9008 GPRESSAVG: 1816000 -28.4241 0.439189 -2.97345 2.33569 34.3704 -3.7092 -3.78904 -2.43308 18.014 TIMING: 1816000 CPU: 5813.64, 0.00326439/step Wall: 5813.64, 0.00326439/step, 2.88717 hours remaining, 230.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1816000 4014.9683 20515.6573 14560.9009 237.0403 -203401.3383 2378.5361 0.0000 0.0000 52255.0786 -109439.1569 300.3107 -161694.2355 -109081.8988 299.4362 -1.0824 26.4331 759535.6659 8.0563 7.9868 PRESSURE: 1816200 100.781 25.3012 184.234 25.3013 -126.748 -165.97 184.234 -165.972 108.52 GPRESSURE: 1816200 82.2414 16.4297 108.609 116.957 -74.9338 -199.955 318.245 -138.98 180.635 PRESSAVG: 1816200 7.11304 24.1958 30.5904 24.1959 -0.555773 -10.1145 30.5904 -10.1145 -5.09813 GPRESSAVG: 1816200 6.35646 23.5386 31.2457 24.2175 -0.690981 -10.6969 29.8359 -8.40934 -4.51803 TIMING: 1816200 CPU: 5814.29, 0.00321821/step Wall: 5814.29, 0.00321821/step, 2.84615 hours remaining, 230.601562 MB of memory in use. ENERGY: 1816200 3861.9523 20606.8672 14547.5962 244.1310 -203202.5878 2446.9206 0.0000 0.0000 51782.3563 -109712.7642 297.5939 -161495.1205 -109360.8683 298.7971 27.5176 62.6474 760103.1856 0.4864 0.3825 LDB: ============= START OF LOAD BALANCING ============== 5826.72 LDB: ============== END OF LOAD BALANCING =============== 5826.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5826.72 LDB: ============= START OF LOAD BALANCING ============== 5827.04 LDB: Largest compute 7033 load 0.038614 is 19.8% of average load 0.195500 LDB: Average compute 0.004389 is 2.2% of average load 0.195500 LDB: TIME 5827.05 LOAD: AVG 0.1955 MAX 0.210564 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.457 MB LDB: TIME 5827.05 LOAD: AVG 0.1955 MAX 0.210564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: TIME 5827.05 LOAD: AVG 0.1955 MAX 0.210564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: ============== END OF LOAD BALANCING =============== 5827.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5827.06 PRESSURE: 1816400 9.34443 -30.0901 -301.955 -30.0906 -54.9832 38.8791 -301.955 38.8787 -112.488 GPRESSURE: 1816400 38.586 -103.022 -247.141 -122.927 -7.91699 107.182 -220.853 -35.8842 -98.8856 PRESSAVG: 1816400 8.83998 -48.5638 4.2372 -48.5638 -27.7335 12.6242 4.23726 12.6242 -31.2258 GPRESSAVG: 1816400 9.29165 -47.3505 4.12157 -49.5071 -28.2355 13.4226 4.04003 12.6316 -30.6732 TIMING: 1816400 CPU: 5814.95, 0.00331522/step Wall: 5814.95, 0.00331522/step, 2.93176 hours remaining, 233.679688 MB of memory in use. ENERGY: 1816400 3980.0148 20542.9009 14504.6496 239.3135 -203366.2333 2532.3739 0.0000 0.0000 51999.5785 -109567.4021 298.8423 -161566.9806 -109212.1868 299.0205 -52.7091 -22.7389 760353.9629 -16.7065 -16.5390 PRESSURE: 1816600 179.404 125.122 -1.26374 125.122 -258.995 180.231 -1.2631 180.23 -19.9805 GPRESSURE: 1816600 177.342 134.456 74.4108 96.8675 -187.08 47.4462 81.3607 172.323 -15.1095 PRESSAVG: 1816600 -31.6514 -25.511 15.7219 -25.5109 0.689099 21.0245 15.7218 21.0245 45.0929 GPRESSAVG: 1816600 -30.9649 -25.8014 14.6175 -25.3528 0.541996 22.0819 19.8649 19.3454 45.0632 TIMING: 1816600 CPU: 5815.6, 0.00324146/step Wall: 5815.6, 0.00324146/step, 2.86635 hours remaining, 233.750000 MB of memory in use. ENERGY: 1816600 4029.4906 20542.4435 14565.3941 230.2824 -203587.6330 2804.2063 0.0000 0.0000 51987.5590 -109428.2570 298.7732 -161415.8160 -109074.0786 299.4012 -33.1905 -8.2825 762169.4439 4.7102 4.8801 PRESSURE: 1816800 -202.477 -133.15 198.786 -133.15 -188.412 121.138 198.786 121.138 304.806 GPRESSURE: 1816800 -177.489 -119.306 175.504 -45.8036 -176.777 187.86 169.223 207.015 339.099 PRESSAVG: 1816800 -18.6751 7.33466 5.09247 7.33466 17.0785 -3.65813 5.09249 -3.65811 -15.4802 GPRESSAVG: 1816800 -17.7637 4.36794 4.27066 10.1385 17.141 -4.8419 0.579637 -1.43157 -16.4499 TIMING: 1816800 CPU: 5816.24, 0.0032029/step Wall: 5816.24, 0.0032029/step, 2.83207 hours remaining, 233.750000 MB of memory in use. ENERGY: 1816800 3994.7955 20628.9203 14532.7794 243.7746 -203339.5285 2412.7089 0.0000 0.0000 52001.1228 -109525.4270 298.8512 -161526.5498 -109174.8835 299.4470 -28.6945 -5.0558 760024.1925 -5.6922 -5.6908 PRESSURE: 1817000 -50.0455 114.734 45.6113 114.734 152.303 -118.173 45.6115 -118.174 -304.897 GPRESSURE: 1817000 -49.9864 115.258 -40.0512 69.6471 254.31 -123.012 85.2862 -42.3166 -304.075 PRESSAVG: 1817000 -10.5223 -5.37865 12.8447 -5.37866 24.858 -9.4398 12.8446 -9.43976 5.92418 GPRESSAVG: 1817000 -11.1677 -3.81261 14.033 -7.19034 24.5868 -8.04837 13.5379 -11.1498 7.28509 TIMING: 1817000 CPU: 5816.88, 0.00320788/step Wall: 5816.88, 0.00320788/step, 2.8363 hours remaining, 233.750000 MB of memory in use. ENERGY: 1817000 3929.6822 20379.5441 14487.6576 241.9781 -203552.6299 2667.8590 0.0000 0.0000 52191.5091 -109654.3998 299.9453 -161845.9089 -109282.3676 298.6396 -67.5465 -33.2503 760253.0956 6.7533 6.9014 PRESSURE: 1817200 -360.01 95.0868 120.808 95.0866 -462.927 236.761 120.808 236.761 -77.4957 GPRESSURE: 1817200 -286.684 130.658 130.93 139.699 -304.8 287.947 158.393 97.8207 -198.597 PRESSAVG: 1817200 7.41694 11.8342 51.848 11.8342 -33.1884 40.2926 51.848 40.2926 12.655 GPRESSAVG: 1817200 7.53203 11.6814 52.4944 13.1924 -31.7107 38.9295 51.5303 40.8976 11.2412 TIMING: 1817200 CPU: 5817.52, 0.0032116/step Wall: 5817.52, 0.0032116/step, 2.83941 hours remaining, 233.750000 MB of memory in use. ENERGY: 1817200 4057.1430 20534.1074 14616.6132 223.5186 -203456.1620 2540.8644 0.0000 0.0000 51957.6084 -109526.3071 298.6011 -161483.9154 -109155.9211 299.6147 -300.1442 -263.3601 760405.7470 -4.3721 -4.3125 PRESSURE: 1817400 -52.4107 -157.221 -152.688 -157.222 -80.1473 95.1034 -152.689 95.1033 133.858 GPRESSURE: 1817400 -50.9353 11.8907 -121.111 -184.679 -4.90022 77.6204 -85.0739 30.4222 150.361 PRESSAVG: 1817400 23.7798 -7.80448 -17.6196 -7.80449 -73.963 4.51349 -17.6196 4.5135 5.80411 GPRESSAVG: 1817400 24.0224 -5.88218 -17.8493 -8.23291 -75.6073 3.86943 -15.318 4.32265 7.42954 TIMING: 1817400 CPU: 5818.17, 0.00324739/step Wall: 5818.17, 0.00324739/step, 2.87087 hours remaining, 233.750000 MB of memory in use. ENERGY: 1817400 4006.2805 20443.6290 14576.2174 254.3804 -203528.2347 2624.3064 0.0000 0.0000 51844.2205 -109779.2004 297.9494 -161623.4210 -109429.2822 298.7738 0.4333 31.5083 760586.6068 -14.7930 -14.7185 PRESSURE: 1817600 -146.532 -16.2237 -18.1333 -16.2232 -284.329 -87.1499 -18.134 -87.1503 -50.2904 GPRESSURE: 1817600 -139.057 10.3764 -5.1256 -135.755 -224.83 -155.331 -143.896 -6.59677 -20.2755 PRESSAVG: 1817600 41.5732 -44.6165 -31.2225 -44.6165 -9.4151 -2.88365 -31.2225 -2.8836 -33.282 GPRESSAVG: 1817600 41.3002 -45.1868 -31.2549 -46.2925 -8.19219 -2.7599 -33.3127 -3.97226 -33.9798 TIMING: 1817600 CPU: 5818.82, 0.00324333/step Wall: 5818.82, 0.00324333/step, 2.8671 hours remaining, 233.750000 MB of memory in use. ENERGY: 1817600 4034.3800 20565.8664 14504.5594 246.1640 -203235.5600 2421.8961 0.0000 0.0000 51820.8098 -109641.8843 297.8149 -161462.6941 -109283.0935 298.6801 -160.3839 -128.0540 761306.1852 -0.3746 -0.2906 PRESSURE: 1817800 92.5459 21.003 29.504 21.0032 -33.0655 -101.28 29.5046 -101.279 -132.395 GPRESSURE: 1817800 173.639 -42.7817 101.544 -36.2157 -10.9444 -51.8825 -16.9621 -140.426 -137.822 PRESSAVG: 1817800 46.3315 49.124 58.6829 49.124 -76.8235 -48.6009 58.6828 -48.6009 7.50542 GPRESSAVG: 1817800 46.7194 48.7969 57.9303 48.7196 -76.6822 -47.9177 57.0658 -48.4326 7.92865 TIMING: 1817800 CPU: 5819.46, 0.0031929/step Wall: 5819.46, 0.0031929/step, 2.82234 hours remaining, 233.750000 MB of memory in use. ENERGY: 1817800 3971.5852 20434.9200 14499.3381 254.6590 -203202.0868 2417.3936 0.0000 0.0000 51924.9143 -109699.2766 298.4132 -161624.1908 -109340.0956 298.8028 -24.3048 8.2907 760830.9656 -7.6622 -7.3447 PRESSURE: 1818000 -26.6258 30.4885 -235.885 30.4885 144.012 163.305 -235.885 163.304 101.104 GPRESSURE: 1818000 98.852 -59.3417 -219.33 85.696 161.914 100.459 -31.7519 18.4447 51.996 PRESSAVG: 1818000 33.3616 73.1267 -12.4328 73.1267 -28.9379 -44.7778 -12.4328 -44.7778 4.04649 GPRESSAVG: 1818000 33.4825 72.6414 -12.4064 74.9261 -30.1542 -45.3247 -10.1977 -46.2237 4.69902 TIMING: 1818000 CPU: 5820.1, 0.00322031/step Wall: 5820.1, 0.00322031/step, 2.84639 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1818000 4017.1786 20593.2241 14581.9496 253.8193 -203392.7390 2668.0152 0.0000 0.0000 51696.4820 -109582.0701 297.1004 -161278.5521 -109229.3334 298.9275 72.8300 104.2541 761881.7955 2.8234 2.6758 PRESSURE: 1818200 -158.66 64.5449 4.48586 64.5454 -30.7498 85.5853 4.48497 85.5864 383.827 GPRESSURE: 1818200 -75.8727 -53.5792 -48.3008 206.782 21.7752 99.6548 57.2927 -3.61912 348.682 PRESSAVG: 1818200 -3.07659 4.12757 -37.693 4.12756 -7.02089 -15.6271 -37.693 -15.627 0.95486 GPRESSAVG: 1818200 -3.22081 6.16806 -38.8062 4.53208 -5.33035 -15.0768 -38.1574 -14.1355 -0.6045 TIMING: 1818200 CPU: 5820.75, 0.00323544/step Wall: 5820.75, 0.00323544/step, 2.85959 hours remaining, 233.750000 MB of memory in use. ENERGY: 1818200 3920.4492 20539.2082 14528.9238 239.1252 -203558.5769 2842.1754 0.0000 0.0000 52079.9663 -109408.7289 299.3043 -161488.6951 -109050.4350 298.9217 64.8059 98.1949 763011.5928 -3.0475 -3.0519 PRESSURE: 1818400 -111.221 4.60531 176.928 4.60522 -129.191 17.4904 176.928 17.4906 -328.346 GPRESSURE: 1818400 -93.5149 84.4626 235.468 51.7084 -164.31 13.2232 154.054 -19.2689 -238.464 PRESSAVG: 1818400 24.7053 16.3884 36.8329 16.3884 26.6865 -17.0892 36.833 -17.0892 -1.06133 GPRESSAVG: 1818400 25.7799 16.5307 38.5668 14.5577 25.3937 -18.615 37.7522 -15.2604 -0.71856 TIMING: 1818400 CPU: 5821.4, 0.00322752/step Wall: 5821.4, 0.00322752/step, 2.85241 hours remaining, 233.750000 MB of memory in use. ENERGY: 1818400 3972.1552 20637.1812 14522.4835 238.9828 -203228.3382 2494.6814 0.0000 0.0000 51994.0753 -109368.7787 298.8107 -161362.8541 -109005.8963 299.3056 -189.5863 -165.4295 764556.6169 16.7769 16.8184 PRESSURE: 1818600 201.082 77.096 -58.5455 77.0959 118.515 -153.946 -58.5453 -153.945 -311.794 GPRESSURE: 1818600 291.465 141.506 2.45744 62.1954 105.365 -48.0877 129.713 -167.315 -314.631 PRESSAVG: 1818600 49.1118 36.3528 3.96562 36.3528 -33.5452 -52.8525 3.96561 -52.8525 -1.15508 GPRESSAVG: 1818600 49.4187 34.6706 4.40291 38.6911 -34.1582 -52.8717 2.43432 -54.7266 -0.938775 TIMING: 1818600 CPU: 5822.04, 0.003206/step Wall: 5822.04, 0.003206/step, 2.83321 hours remaining, 233.750000 MB of memory in use. ENERGY: 1818600 4024.8891 20370.7453 14609.4614 240.9532 -203267.4218 2710.6540 0.0000 0.0000 51954.5090 -109356.2098 298.5833 -161310.7188 -108990.7626 299.0444 2.6010 27.3996 763377.0837 4.8038 4.7739 PRESSURE: 1818800 -227.534 221.645 128.975 221.645 0.435211 -61.9064 128.976 -61.9076 -290.965 GPRESSURE: 1818800 -205.812 120.363 206.489 149.08 10.7732 -119.362 110.548 -143.955 -235.904 PRESSAVG: 1818800 53.6908 25.3783 -14.1754 25.3783 -40.4147 30.3352 -14.1754 30.3352 -16.1425 GPRESSAVG: 1818800 52.6353 24.0681 -15.7927 24.5969 -40.106 30.2839 -12.0973 31.9567 -15.2805 TIMING: 1818800 CPU: 5822.68, 0.00321822/step Wall: 5822.68, 0.00321822/step, 2.84383 hours remaining, 233.750000 MB of memory in use. ENERGY: 1818800 4051.0545 20507.3102 14554.1771 263.2023 -203257.0150 2444.0988 0.0000 0.0000 52076.9052 -109360.2669 299.2867 -161437.1721 -108999.9729 299.1286 -172.6878 -143.6479 763663.1554 -0.9555 -0.9171 PRESSURE: 1819000 13.426 146.343 -41.5832 146.343 -121.249 184.402 -41.5843 184.402 78.9213 GPRESSURE: 1819000 58.4749 37.5042 -16.3034 153.658 -121.349 220.92 -44.821 -20.6466 96.0251 PRESSAVG: 1819000 1.84726 -3.73727 -30.7042 -3.7373 -48.4625 -15.0007 -30.7043 -15.0008 -10.6079 GPRESSAVG: 1819000 1.61208 -2.73076 -31.0102 -4.52598 -47.6996 -12.3155 -31.5283 -17.1363 -11.595 TIMING: 1819000 CPU: 5823.33, 0.00323729/step Wall: 5823.33, 0.00323729/step, 2.8605 hours remaining, 233.750000 MB of memory in use. ENERGY: 1819000 3967.1679 20769.6406 14483.1691 241.0475 -202967.5354 2281.5929 0.0000 0.0000 51974.2358 -109250.6816 298.6966 -161224.9174 -108892.4359 299.3622 -9.6339 11.0504 763543.1229 -19.0744 -19.2275 PRESSURE: 1819200 199.052 -156.338 174.841 -156.339 -166.706 138.707 174.841 138.707 -208.551 GPRESSURE: 1819200 259.546 -125.136 192.245 -153.614 -172.294 48.8796 145.65 176.283 -174.843 PRESSAVG: 1819200 53.0695 11.4556 -7.65649 11.4556 -95.1517 -1.04421 -7.65651 -1.04417 1.34729 GPRESSAVG: 1819200 55.1667 12.2873 -6.80047 10.7253 -97.6914 -1.61754 -8.57759 -0.0547461 2.30937 TIMING: 1819200 CPU: 5823.97, 0.00320674/step Wall: 5823.97, 0.00320674/step, 2.83334 hours remaining, 233.750000 MB of memory in use. ENERGY: 1819200 3954.9802 20606.2624 14550.9569 244.2922 -203124.2734 2493.2628 0.0000 0.0000 51870.3920 -109404.1269 298.0999 -161274.5189 -109044.1796 299.3786 -58.7350 -29.1967 763159.7863 -13.5783 -13.4051 PRESSURE: 1819400 107.166 54.6386 -146.357 54.638 -56.9808 10.3086 -146.358 10.3088 -96.5781 GPRESSURE: 1819400 109.849 67.5631 -195.204 63.1355 -18.1295 26.1922 -49.1519 -119.667 -38.5769 PRESSAVG: 1819400 113.651 27.9807 29.1431 27.9808 -95.9541 -63.562 29.1431 -63.562 -0.365502 GPRESSAVG: 1819400 111.889 27.9497 27.086 28.1295 -93.843 -63.9156 28.4531 -63.4851 -0.473489 TIMING: 1819400 CPU: 5824.61, 0.00320665/step Wall: 5824.61, 0.00320665/step, 2.83307 hours remaining, 233.750000 MB of memory in use. ENERGY: 1819400 3995.0499 20638.5444 14624.3127 253.4285 -203563.1086 2604.5512 0.0000 0.0000 52032.6514 -109414.5705 299.0324 -161447.2219 -109064.0366 299.0322 -15.4642 17.7142 762049.3565 5.7770 5.8576 PRESSURE: 1819600 -88.8254 24.1709 -478.558 24.1707 -338.24 95.8767 -478.558 95.8767 -149.481 GPRESSURE: 1819600 -128.89 58.7544 -370.803 17.616 -254.823 80.4782 -491.403 154.048 -108.054 PRESSAVG: 1819600 17.0155 33.3574 -44.005 33.3573 -6.25743 -33.122 -44.005 -33.122 -8.92319 GPRESSAVG: 1819600 17.09 32.7108 -41.0193 33.2834 -6.66313 -32.8444 -43.6576 -33.7443 -8.90941 TIMING: 1819600 CPU: 5825.25, 0.00321669/step Wall: 5825.25, 0.00321669/step, 2.84177 hours remaining, 233.750000 MB of memory in use. ENERGY: 1819600 4007.5779 20424.5370 14587.9002 244.2645 -202761.6188 2134.6443 0.0000 0.0000 51995.9826 -109366.7124 298.8216 -161362.6950 -109006.3318 299.7906 -192.1819 -163.9222 761547.2973 0.6116 0.5058 PRESSURE: 1819800 -137.626 -55.0384 -235.998 -55.0381 93.4471 183.446 -235.997 183.446 -468.688 GPRESSURE: 1819800 -81.6461 -148.403 -259.875 -83.7281 100.545 287.788 -43.4715 125.637 -461.994 PRESSAVG: 1819800 29.1665 -14.3851 -34.8861 -14.3851 -40.3827 79.6801 -34.886 79.68 13.5851 GPRESSAVG: 1819800 28.8106 -15.4182 -36.2961 -13.6729 -40.5683 79.543 -32.6369 79.9482 13.7377 TIMING: 1819800 CPU: 5825.9, 0.00321136/step Wall: 5825.9, 0.00321136/step, 2.83688 hours remaining, 233.750000 MB of memory in use. ENERGY: 1819800 4026.4319 20393.2185 14594.1813 267.0796 -203235.1021 2464.5787 0.0000 0.0000 52153.2272 -109336.3848 299.7253 -161489.6120 -108968.9354 299.3228 -170.9559 -147.6985 762411.8966 0.7896 0.6600 PRESSURE: 1820000 -48.7526 -53.3573 -45.4261 -53.3568 -393.987 50.4157 -45.4271 50.416 84.2619 GPRESSURE: 1820000 -113.714 -49.1006 -76.1018 30.4207 -284.486 80.5504 50.5568 15.1577 142.12 PRESSAVG: 1820000 79.7561 4.0946 27.6178 4.09456 -87.9153 18.0154 27.6178 18.0154 6.32241 GPRESSAVG: 1820000 78.4311 6.32819 27.4982 3.74939 -87.882 17.7433 25.0524 17.4915 7.34815 TIMING: 1820000 CPU: 5826.54, 0.00321909/step Wall: 5826.54, 0.00321909/step, 2.84353 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1820000 4003.2231 20399.4377 14522.7732 259.4618 -202830.5790 2293.5886 0.0000 0.0000 52144.5754 -109207.5193 299.6756 -161352.0947 -108840.2163 299.9023 -119.4925 -85.3604 762324.2357 -0.6122 -0.7009 PRESSURE: 1820200 186.757 -121.995 227.424 -121.994 -64.8708 -121.618 227.423 -121.618 -119.825 GPRESSURE: 1820200 142.257 -118.245 217.974 -199.193 14.9166 -205.731 83.1751 -40.0037 -66.5104 PRESSAVG: 1820200 120.184 1.76829 51.503 1.76821 -108.967 -5.08838 51.503 -5.08838 16.2152 GPRESSAVG: 1820200 120.992 3.00218 51.947 2.5648 -109.026 -5.28242 48.1862 -2.11959 15.1144 TIMING: 1820200 CPU: 5827.18, 0.00320479/step Wall: 5827.18, 0.00320479/step, 2.83072 hours remaining, 233.750000 MB of memory in use. ENERGY: 1820200 3987.9967 20530.1628 14543.4999 244.5518 -203170.5369 2514.4693 0.0000 0.0000 52087.2613 -109262.5951 299.3462 -161349.8564 -108907.7827 299.1972 0.6870 30.2211 760260.7468 9.1442 9.0268 LDB: ============= START OF LOAD BALANCING ============== 5839.61 LDB: ============== END OF LOAD BALANCING =============== 5839.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5839.61 LDB: ============= START OF LOAD BALANCING ============== 5839.93 LDB: Largest compute 7033 load 0.040071 is 20.5% of average load 0.195292 LDB: Average compute 0.004395 is 2.3% of average load 0.195292 LDB: TIME 5839.93 LOAD: AVG 0.195292 MAX 0.214293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.691 MB LDB: TIME 5839.93 LOAD: AVG 0.195292 MAX 0.214293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: TIME 5839.93 LOAD: AVG 0.195292 MAX 0.214293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: ============== END OF LOAD BALANCING =============== 5839.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5839.94 PRESSURE: 1820400 -61.6905 -6.44978 -79.1348 -6.44948 -23.8562 38.9219 -79.1341 38.9217 -63.6894 GPRESSURE: 1820400 21.5304 -69.1968 -137.083 -56.8458 -88.1798 -7.4081 95.1014 114.734 -19.3654 PRESSAVG: 1820400 44.9466 2.45233 -2.72108 2.45233 -55.986 12.2372 -2.72113 12.2371 -29.112 GPRESSAVG: 1820400 45.4467 1.14116 -3.10286 2.1957 -56.6813 12.5035 2.90315 11.3071 -28.7868 TIMING: 1820400 CPU: 5827.84, 0.00327286/step Wall: 5827.84, 0.00327286/step, 2.89066 hours remaining, 231.875000 MB of memory in use. ENERGY: 1820400 3981.9545 20505.6370 14526.4663 238.0119 -203148.3279 2406.5291 0.0000 0.0000 51952.9827 -109536.7464 298.5745 -161489.7291 -109172.5751 298.8813 -49.7454 -28.6716 759806.6253 -13.3838 -13.3405 PRESSURE: 1820600 -41.9686 118.989 -73.3384 118.989 -147.092 -43.4328 -73.3386 -43.4327 -20.4526 GPRESSURE: 1820600 -76.8928 172.919 -99.8587 96.2501 -53.1248 -29.8331 -2.73669 -62.1554 3.53316 PRESSAVG: 1820600 66.8774 3.92381 27.6031 3.92381 -30.9193 -14.5471 27.603 -14.5471 -12.8831 GPRESSAVG: 1820600 67.7441 3.01257 27.5969 4.22472 -32.2755 -15.4747 24.962 -14.4292 -12.4687 TIMING: 1820600 CPU: 5828.48, 0.00322577/step Wall: 5828.48, 0.00322577/step, 2.84889 hours remaining, 231.945312 MB of memory in use. ENERGY: 1820600 3973.6309 20460.7636 14567.3677 244.8169 -202968.9023 2295.3777 0.0000 0.0000 51988.4925 -109438.4531 298.7786 -161426.9456 -109068.2981 298.9580 -69.8377 -42.1615 759899.0468 7.6917 7.6666 PRESSURE: 1820800 50.3778 -193.599 -246.11 -193.6 -474.062 4.07761 -246.109 4.0766 -108.642 GPRESSURE: 1820800 72.744 -89.131 -199.684 -233.897 -403.136 -47.2912 -174.988 48.3516 -97.4231 PRESSAVG: 1820800 32.5296 -19.9353 -11.3888 -19.9353 -73.0471 11.432 -11.3888 11.432 13.0827 GPRESSAVG: 1820800 31.3248 -19.6883 -10.6338 -19.9515 -71.1815 10.6096 -10.4084 12.1003 12.596 TIMING: 1820800 CPU: 5829.12, 0.00319242/step Wall: 5829.12, 0.00319242/step, 2.81926 hours remaining, 231.945312 MB of memory in use. ENERGY: 1820800 3933.5516 20330.5643 14626.0207 244.3752 -203263.6721 2541.5855 0.0000 0.0000 52262.0701 -109325.5048 300.3508 -161587.5749 -108961.2131 299.1217 -177.4422 -142.6050 762270.8807 -9.1449 -9.0869 PRESSURE: 1821000 -221.339 139.857 -91.8222 139.857 34.365 -45.2008 -91.8215 -45.2014 -169.264 GPRESSURE: 1821000 -170.83 -7.42386 -63.0365 176.971 76.0754 60.9801 -164.404 -41.3912 -180.742 PRESSAVG: 1821000 70.1069 -13.315 -3.90814 -13.315 -44.5211 -29.9162 -3.90818 -29.9163 15.0076 GPRESSAVG: 1821000 69.8768 -12.3647 -4.50768 -14.6589 -45.8163 -28.0997 -4.99685 -31.2943 15.4751 TIMING: 1821000 CPU: 5829.76, 0.00320986/step Wall: 5829.76, 0.00320986/step, 2.83449 hours remaining, 231.945312 MB of memory in use. ENERGY: 1821000 3943.3055 20451.0848 14554.2929 248.6069 -203184.6280 2513.5055 0.0000 0.0000 52078.8482 -109394.9842 299.2979 -161473.8324 -109041.6777 299.2555 -118.7460 -91.8322 762333.9168 13.5312 13.1785 PRESSURE: 1821200 156.777 222.449 35.5888 222.448 -44.3202 105.388 35.5891 105.388 24.1289 GPRESSURE: 1821200 161.952 237.968 22.4856 157.381 -20.4219 87.3355 144.485 175.493 92.8817 PRESSAVG: 1821200 -7.1378 15.7568 -20.8366 15.7568 -22.6117 -71.9006 -20.8367 -71.9006 -34.8643 GPRESSAVG: 1821200 -8.09397 14.0019 -20.344 17.1488 -21.4542 -72.8725 -20.4276 -70.4993 -35.0005 TIMING: 1821200 CPU: 5830.41, 0.00323814/step Wall: 5830.41, 0.00323814/step, 2.85928 hours remaining, 231.945312 MB of memory in use. ENERGY: 1821200 3880.2290 20453.7681 14516.5305 240.8080 -203000.3570 2593.9939 0.0000 0.0000 52042.6190 -109272.4084 299.0896 -161315.0275 -108910.8108 298.7971 45.5285 78.1374 763382.0686 -21.5379 -21.5162 PRESSURE: 1821400 -301.215 -147.43 34.4271 -147.43 -588.686 138.646 34.4268 138.646 -335.398 GPRESSURE: 1821400 -365.588 -152.18 -34.2972 -76.3089 -523.199 39.0167 33.5369 173.506 -254.17 PRESSAVG: 1821400 22.7503 8.42782 -6.56577 8.42788 -21.3184 -14.3602 -6.56586 -14.3603 0.760629 GPRESSAVG: 1821400 24.6531 9.84683 -6.09905 6.94836 -21.7888 -14.8338 -7.88738 -15.6215 -0.679839 TIMING: 1821400 CPU: 5831.06, 0.0032574/step Wall: 5831.06, 0.0032574/step, 2.87611 hours remaining, 231.945312 MB of memory in use. ENERGY: 1821400 3960.3147 20505.3592 14472.8268 239.6677 -202445.7198 2076.0303 0.0000 0.0000 51958.1891 -109233.3320 298.6044 -161191.5211 -108860.9598 299.4240 -408.4330 -380.9859 764902.2438 0.7309 0.7281 PRESSURE: 1821600 -269.581 3.21647 -182.933 3.21603 -62.3951 -169.763 -182.935 -169.764 -57.9433 GPRESSURE: 1821600 -157.963 -36.5627 -126.887 39.2268 16.4689 -241.431 -162.122 -95.1367 -169.037 PRESSAVG: 1821600 31.3161 53.8628 -46.3935 53.8627 -55.9886 51.0268 -46.3935 51.027 -19.9395 GPRESSAVG: 1821600 31.4921 53.0508 -47.5577 55.6569 -55.6477 51.8001 -44.3667 51.1621 -20.101 TIMING: 1821600 CPU: 5831.71, 0.00325028/step Wall: 5831.71, 0.00325028/step, 2.86963 hours remaining, 231.945312 MB of memory in use. ENERGY: 1821600 3984.9850 20674.4015 14491.5084 234.8531 -202855.7237 2376.3264 0.0000 0.0000 51848.8947 -109244.7546 297.9763 -161093.6493 -108886.5875 299.6110 -129.9732 -103.5101 761446.4904 -14.8706 -14.7522 PRESSURE: 1821800 147.751 -138.681 -79.6931 -138.682 24.1131 98.9977 -79.6923 98.9975 51.0382 GPRESSURE: 1821800 256.46 -172.739 3.42994 -145.71 -59.2288 98.321 -18.6831 53.2567 98.431 PRESSAVG: 1821800 100.334 -46.2708 -10.722 -46.2707 -77.0278 -27.3319 -10.722 -27.3319 0.30958 GPRESSAVG: 1821800 99.2087 -45.5403 -9.58897 -48.2209 -77.6757 -28.2391 -11.0314 -25.8597 1.90308 TIMING: 1821800 CPU: 5832.36, 0.00323094/step Wall: 5832.36, 0.00323094/step, 2.85238 hours remaining, 231.945312 MB of memory in use. ENERGY: 1821800 4007.4139 20578.8455 14545.5088 237.9519 -203677.1802 2760.5737 0.0000 0.0000 52048.0100 -109498.8763 299.1206 -161546.8863 -109138.0471 299.0964 74.3008 98.5539 760153.9696 7.8720 7.8120 PRESSURE: 1822000 -13.0648 331.686 115.091 331.686 -103.638 134.503 115.09 134.503 258.887 GPRESSURE: 1822000 92.4003 169.755 177.276 245.67 -29.3893 166.166 21.5889 184.863 168.346 PRESSAVG: 1822000 69.8496 59.5244 -6.31421 59.5244 -35.0907 52.8752 -6.31416 52.8753 -13.2763 GPRESSAVG: 1822000 70.1098 58.5283 -7.99493 59.3838 -34.0331 53.4441 -6.36061 51.6629 -14.2994 TIMING: 1822000 CPU: 5833, 0.00320713/step Wall: 5833, 0.00320713/step, 2.83118 hours remaining, 231.945312 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: 1822000 3908.6071 20374.8728 14441.8070 243.4650 -203248.3840 2638.0008 0.0000 0.0000 52289.9992 -109351.6321 300.5113 -161641.6313 -108986.8282 299.8374 47.3946 77.1191 761426.5310 7.1609 7.2591 PRESSURE: 1822200 -55.3674 95.0813 -119.714 95.0809 -116.548 -102.971 -119.715 -102.971 -441.925 GPRESSURE: 1822200 7.01065 91.8692 -84.1683 62.8604 -84.6762 -136.403 -99.252 28.5105 -433.327 PRESSAVG: 1822200 52.4158 -45.7246 44.2312 -45.7246 -33.9572 59.1273 44.2313 59.1272 -8.88942 GPRESSAVG: 1822200 53.4443 -44.8231 45.2045 -46.1033 -35.4938 58.7566 43.2428 59.3424 -8.54157 TIMING: 1822200 CPU: 5833.64, 0.00320387/step Wall: 5833.64, 0.00320387/step, 2.82812 hours remaining, 231.945312 MB of memory in use. ENERGY: 1822200 3993.1194 20485.4081 14420.6025 231.3737 -202875.7305 2241.7895 0.0000 0.0000 52040.9937 -109462.4437 299.0803 -161503.4373 -109109.5584 299.4649 -204.6132 -170.3309 761559.0033 3.1897 3.1363 PRESSURE: 1822400 -140.997 -311.176 81.2818 -311.175 -124.246 141.945 81.2814 141.946 -65.2253 GPRESSURE: 1822400 -117.866 -151.56 33.808 -217.772 -1.76642 45.1152 149.05 112.575 -108.27 PRESSAVG: 1822400 90.5855 -22.8844 -16.4103 -22.8844 -111.302 -5.17259 -16.4103 -5.17248 -7.81849 GPRESSAVG: 1822400 89.8668 -23.0883 -14.6545 -21.8314 -110.283 -4.33105 -15.146 -5.3046 -8.34001 TIMING: 1822400 CPU: 5834.28, 0.00320821/step Wall: 5834.28, 0.00320821/step, 2.83178 hours remaining, 231.945312 MB of memory in use. ENERGY: 1822400 4023.7405 20541.8924 14534.9335 255.4147 -203023.1240 2512.2806 0.0000 0.0000 51984.8237 -109170.0387 298.7575 -161154.8624 -108807.2663 299.7997 -110.1560 -75.9673 762873.0458 -9.5115 -9.5853 PRESSURE: 1822600 124.881 54.7294 -34.0909 54.7303 -236.799 -158.883 -34.0908 -158.884 55.5961 GPRESSURE: 1822600 145.153 118.707 43.734 128.596 -222.112 -172.459 -41.6701 -81.3277 114.031 PRESSAVG: 1822600 99.2273 6.69459 30.4631 6.69455 -72.6892 -25.2404 30.4631 -25.2405 2.04234 GPRESSAVG: 1822600 98.2517 8.44213 30.2609 6.69276 -73.031 -25.4111 27.8309 -25.4394 3.28203 TIMING: 1822600 CPU: 5834.93, 0.00323733/step Wall: 5834.93, 0.00323733/step, 2.8573 hours remaining, 231.945312 MB of memory in use. ENERGY: 1822600 3918.5955 20435.0256 14534.1907 260.1980 -203098.0386 2337.7151 0.0000 0.0000 52227.2277 -109385.0859 300.1506 -161612.3136 -109020.0079 299.4661 -18.7740 12.3574 761319.1870 9.5268 9.5009 PRESSURE: 1822800 389.883 189.732 9.30612 189.732 -114.783 240.673 9.30696 240.672 -72.3373 GPRESSURE: 1822800 420.422 184.01 29.6207 116.35 -53.7342 277.925 44.7992 265.572 -52.5044 PRESSAVG: 1822800 82.7496 21.6486 8.96656 21.6486 -55.829 7.89923 8.96655 7.89923 1.49088 GPRESSAVG: 1822800 84.0025 20.1151 7.23745 20.6161 -55.6933 9.18082 10.4471 7.57479 0.426021 TIMING: 1822800 CPU: 5835.57, 0.00319459/step Wall: 5835.57, 0.00319459/step, 2.81941 hours remaining, 231.945312 MB of memory in use. ENERGY: 1822800 3955.8881 20381.8456 14499.8761 264.4797 -203455.7096 2660.5160 0.0000 0.0000 52283.0392 -109410.0649 300.4713 -161693.1041 -109046.2474 298.7347 67.5876 104.7279 760649.0497 9.4705 9.5784 PRESSURE: 1823000 -44.6781 6.06493 104.277 6.06489 -33.6135 -100.656 104.278 -100.655 -82.2053 GPRESSURE: 1823000 49.5219 59.9011 125.929 43.1122 12.3813 -105.867 209.233 -28.5424 -120.594 PRESSAVG: 1823000 -28.6272 -15.9864 -3.47536 -15.9865 -10.2235 56.2115 -3.47538 56.2116 -11.1716 GPRESSAVG: 1823000 -29.9489 -17.9083 -2.76313 -15.5895 -9.07444 55.6593 -2.16029 56.1714 -10.842 TIMING: 1823000 CPU: 5836.21, 0.00320598/step Wall: 5836.21, 0.00320598/step, 2.82927 hours remaining, 231.945312 MB of memory in use. ENERGY: 1823000 3970.7753 20385.2163 14626.1772 259.5789 -203056.5181 2473.1526 0.0000 0.0000 52006.2494 -109335.3684 298.8806 -161341.6179 -108977.2576 299.0368 -53.4989 -19.5636 762509.9070 -16.6741 -16.6218 PRESSURE: 1823200 -164.546 -185.646 80.1294 -185.646 -225.938 191.743 80.1287 191.744 255.732 GPRESSURE: 1823200 -46.2123 -198.449 39.0815 -268.067 -172.06 113.61 84.6028 119.76 188.618 PRESSAVG: 1823200 47.5662 -9.42036 57.6219 -9.42029 -48.0144 15.8384 57.622 15.8384 15.4311 GPRESSAVG: 1823200 47.9885 -9.37673 56.7988 -8.86069 -49.1429 14.5806 56.3536 15.5757 15.6838 TIMING: 1823200 CPU: 5836.84, 0.00317272/step Wall: 5836.84, 0.00317272/step, 2.79975 hours remaining, 231.945312 MB of memory in use. ENERGY: 1823200 3936.9010 20583.2005 14554.4178 250.3917 -203287.2105 2454.7459 0.0000 0.0000 52171.2360 -109336.3177 299.8288 -161507.5537 -108973.1164 299.5715 -44.9173 -9.8845 762773.3542 4.9943 4.8431 PRESSURE: 1823400 -502.488 137.392 72.428 137.392 -212.901 45.0182 72.428 45.018 -64.6636 GPRESSURE: 1823400 -452.785 199.689 65.4028 205.98 -243.266 41.0923 -83.0328 -17.0035 -6.57517 PRESSAVG: 1823400 15.1333 -2.67262 25.7933 -2.67258 -23.7478 21.1955 25.7933 21.1955 -14.1036 GPRESSAVG: 1823400 15.3664 -0.839838 26.3981 -2.45818 -23.9403 21.2881 26.6984 21.0826 -14.3932 TIMING: 1823400 CPU: 5837.48, 0.0031907/step Wall: 5837.48, 0.0031907/step, 2.81544 hours remaining, 231.945312 MB of memory in use. ENERGY: 1823400 3943.7179 20426.4870 14524.6447 233.5061 -203258.4592 2333.2976 0.0000 0.0000 52425.0119 -109371.7939 301.2873 -161796.8058 -109003.8620 299.3226 -260.0174 -234.2088 762039.4922 -7.5727 -7.6557 PRESSURE: 1823600 -325.435 125.424 187.83 125.424 -201.972 -75.9406 187.83 -75.9418 -128.241 GPRESSURE: 1823600 -211.083 3.0716 227.231 173.419 -233.968 -174.697 197.234 -63.4558 -122.274 PRESSAVG: 1823600 78.9635 2.41185 2.28691 2.41184 -46.2233 45.2294 2.28688 45.2294 0.984171 GPRESSAVG: 1823600 77.9248 2.91351 4.57457 -0.743247 -46.419 44.7856 1.09562 48.0826 2.05365 TIMING: 1823600 CPU: 5838.12, 0.00318341/step Wall: 5838.12, 0.00318341/step, 2.80883 hours remaining, 231.945312 MB of memory in use. ENERGY: 1823600 3998.6843 20404.2677 14565.6935 256.1778 -203333.9547 2529.4628 0.0000 0.0000 52135.5779 -109444.0907 299.6239 -161579.6686 -109079.3426 299.1481 -218.5494 -189.1084 761654.0468 11.2415 11.1865 PRESSURE: 1823800 -88.9035 -156.028 -15.7785 -156.028 160.471 135.557 -15.7792 135.557 -372.232 GPRESSURE: 1823800 -112.753 -97.9035 40.4196 -129.937 148.363 116.674 -7.10041 -13.232 -265.72 PRESSAVG: 1823800 46.9976 2.02286 32.0927 2.02291 -53.1803 23.3183 32.0928 23.3183 10.359 GPRESSAVG: 1823800 48.1511 1.45385 31.5495 5.05298 -53.6145 22.6976 31.7742 20.9583 9.6224 TIMING: 1823800 CPU: 5838.76, 0.00320419/step Wall: 5838.76, 0.00320419/step, 2.82698 hours remaining, 231.945312 MB of memory in use. ENERGY: 1823800 4018.4859 20558.2639 14564.8234 237.6568 -203087.7916 2550.0263 0.0000 0.0000 51923.6724 -109234.8629 298.4061 -161158.5352 -108883.6527 299.5290 -100.2216 -76.7032 763564.4056 1.3921 1.3863 PRESSURE: 1824000 213.98 -34.3803 40.3646 -34.3813 252.531 -23.1753 40.3654 -23.1748 -83.4721 GPRESSURE: 1824000 229.371 -8.98373 33.655 -1.16593 313.862 -8.33108 45.8051 70.1658 -54.3537 PRESSAVG: 1824000 59.4807 46.2468 15.967 46.2467 -15.2796 51.0701 15.967 51.0701 -12.5229 GPRESSAVG: 1824000 58.8419 46.1024 15.2151 46.0171 -13.3894 51.0585 16.597 52.9237 -13.6719 TIMING: 1824000 CPU: 5839.4, 0.00322386/step Wall: 5839.4, 0.00322386/step, 2.84416 hours remaining, 231.945312 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: 1824000 3957.4385 20418.3373 14591.2526 252.5660 -203126.7638 2572.3625 0.0000 0.0000 51978.0766 -109356.7302 298.7187 -161334.8068 -108988.4231 299.0000 127.6796 162.9596 761147.7604 10.5594 10.5936 PRESSURE: 1824200 -332.57 51.0079 87.1364 51.0075 -256.525 246.763 87.1349 246.763 96.632 GPRESSURE: 1824200 -262.802 87.243 77.5969 40.0998 -233.194 287.58 210.134 287.564 78.946 PRESSAVG: 1824200 41.8572 20.4641 -21.3832 20.4641 -63.3398 8.11486 -21.3832 8.11485 7.05248 GPRESSAVG: 1824200 42.0414 20.8723 -21.858 20.3772 -64.3221 8.15682 -20.6848 7.65934 7.76086 TIMING: 1824200 CPU: 5840.04, 0.00319876/step Wall: 5840.04, 0.00319876/step, 2.82184 hours remaining, 231.945312 MB of memory in use. ENERGY: 1824200 4092.6991 20351.2933 14529.8700 241.8073 -203270.0629 2459.5581 0.0000 0.0000 52148.9602 -109445.8749 299.7008 -161594.8351 -109090.6333 299.2283 -164.1545 -139.0167 763501.8066 -4.8100 -4.8399 LDB: ============= START OF LOAD BALANCING ============== 5852.47 LDB: ============== END OF LOAD BALANCING =============== 5852.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5852.47 LDB: ============= START OF LOAD BALANCING ============== 5852.79 LDB: Largest compute 7033 load 0.037914 is 19.4% of average load 0.195333 LDB: Average compute 0.004403 is 2.3% of average load 0.195333 LDB: TIME 5852.79 LOAD: AVG 0.195333 MAX 0.21162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.105 MB LDB: TIME 5852.79 LOAD: AVG 0.195333 MAX 0.21162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.254 MB LDB: TIME 5852.79 LOAD: AVG 0.195333 MAX 0.21162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.254 MB LDB: ============== END OF LOAD BALANCING =============== 5852.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5852.8 PRESSURE: 1824400 -192.107 -248.663 -147.908 -248.663 102.972 35.2388 -147.908 35.2381 -241.858 GPRESSURE: 1824400 -146.897 -115.945 -209.353 -124.436 173.83 56.0608 -111.477 59.3888 -279.997 PRESSAVG: 1824400 -7.02371 7.87428 -16.3506 7.87427 -50.6334 10.8957 -16.3505 10.8957 -10.3649 GPRESSAVG: 1824400 -7.86584 7.9068 -16.4404 8.99218 -51.0028 11.6824 -16.1773 10.4499 -9.60399 TIMING: 1824400 CPU: 5840.7, 0.00326276/step Wall: 5840.7, 0.00326276/step, 2.87811 hours remaining, 231.628906 MB of memory in use. ENERGY: 1824400 4040.7728 20502.9877 14509.8143 266.1049 -203321.3075 2468.5726 0.0000 0.0000 52020.1166 -109512.9387 298.9603 -161533.0552 -109153.4413 298.9381 -110.3310 -84.3549 764216.8016 -22.6740 -22.8242 PRESSURE: 1824600 29.702 38.3968 107.833 38.3974 80.8394 -150.748 107.833 -150.748 -393.139 GPRESSURE: 1824600 77.8877 89.01 76.6503 -30.8312 158.339 -209.592 228.482 -167.822 -424.988 PRESSAVG: 1824600 -30.7937 11.1352 13.1626 11.1352 48.3686 32.1388 13.1625 32.1388 -8.89342 GPRESSAVG: 1824600 -30.7434 9.15605 13.2035 10.6092 48.9817 30.6392 13.6268 31.1312 -9.74541 TIMING: 1824600 CPU: 5841.33, 0.0031984/step Wall: 5841.33, 0.0031984/step, 2.82116 hours remaining, 231.832031 MB of memory in use. ENERGY: 1824600 4072.3351 20407.1763 14472.5521 241.4816 -203432.5356 2767.6264 0.0000 0.0000 52159.3716 -109311.9925 299.7606 -161471.3641 -108940.7502 299.3658 -94.1992 -62.9205 764740.4302 2.8938 2.8310 PRESSURE: 1824800 79.027 70.5379 76.6486 70.538 -87.805 37.5059 76.6492 37.5061 384.934 GPRESSURE: 1824800 210.061 -23.4127 115.622 -49.229 -97.4586 104.536 40.9203 -40.908 347.338 PRESSAVG: 1824800 -6.69816 -47.1793 18.0113 -47.1793 7.86454 11.7631 18.0113 11.7631 -17.7265 GPRESSAVG: 1824800 -5.72552 -47.0651 16.455 -47.7744 7.63043 12.8211 17.2854 11.8284 -18.4187 TIMING: 1824800 CPU: 5841.98, 0.00320521/step Wall: 5841.98, 0.00320521/step, 2.827 hours remaining, 231.832031 MB of memory in use. ENERGY: 1824800 3998.8315 20642.1516 14468.6764 248.2800 -203594.3811 2648.4137 0.0000 0.0000 52423.5440 -109164.4840 301.2788 -161588.0279 -108806.5859 299.6385 125.3852 153.3136 761839.4884 -5.5200 -5.5046 PRESSURE: 1825000 59.8312 -27.1277 14.4595 -27.1273 -175.246 74.933 14.4606 74.9337 -169.671 GPRESSURE: 1825000 122.742 22.6961 99.7822 97.4253 -180.971 38.6341 24.5131 7.99224 -139.104 PRESSAVG: 1825000 -7.00918 -33.8861 22.9181 -33.8861 25.2734 -44.6082 22.918 -44.6082 -20.5147 GPRESSAVG: 1825000 -8.19618 -34.6498 25.8482 -30.9727 25.1535 -44.0287 21.8023 -46.3706 -18.9311 TIMING: 1825000 CPU: 5842.63, 0.0032819/step Wall: 5842.63, 0.0032819/step, 2.89445 hours remaining, 231.832031 MB of memory in use. ENERGY: 1825000 4033.7731 20547.4400 14537.1344 249.0524 -203097.9472 2374.5720 0.0000 0.0000 52301.8947 -109054.0805 300.5797 -161355.9752 -108690.6299 299.9329 -95.0288 -65.7776 762083.9776 -0.7501 -0.6579 PRESSURE: 1825200 390.208 95.2162 195.813 95.2167 68.2381 -130.888 195.812 -130.888 12.2474 GPRESSURE: 1825200 403.686 119.235 165.711 66.0502 96.6846 -118.167 352.521 -124.953 68.941 PRESSAVG: 1825200 38.0754 14.181 36.5879 14.181 -12.3894 -25.9211 36.5879 -25.9211 33.1728 GPRESSAVG: 1825200 38.2211 15.7303 36.8552 12.8218 -12.3245 -26.6926 35.582 -23.6113 33.1694 TIMING: 1825200 CPU: 5843.29, 0.00330036/step Wall: 5843.29, 0.00330036/step, 2.91055 hours remaining, 231.832031 MB of memory in use. ENERGY: 1825200 4008.4221 20521.8231 14460.3602 240.4096 -203884.9977 2914.1199 0.0000 0.0000 52452.5440 -109287.3189 301.4455 -161739.8629 -108923.3579 299.7982 156.8979 189.7707 759443.7144 19.6196 19.6887 PRESSURE: 1825400 -58.3045 -19.647 83.0997 -19.646 91.2156 -187.925 83.0996 -187.925 171.559 GPRESSURE: 1825400 2.99846 -90.0565 92.9059 -16.9029 84.7055 -233.029 179.439 -16.2071 226.942 PRESSAVG: 1825400 52.7363 -21.2117 -16.9292 -21.2117 -44.7916 -62.19 -16.9292 -62.19 -9.97386 GPRESSAVG: 1825400 53.5612 -20.0586 -18.5171 -22.3653 -44.3635 -62.1867 -15.5099 -61.7776 -10.9133 TIMING: 1825400 CPU: 5843.94, 0.00324978/step Wall: 5843.94, 0.00324978/step, 2.86576 hours remaining, 231.832031 MB of memory in use. ENERGY: 1825400 4010.5550 20558.9686 14562.4817 244.9252 -203553.3895 2905.0451 0.0000 0.0000 52036.7551 -109234.6587 299.0559 -161271.4138 -108874.6921 299.8725 68.1568 104.8819 761580.4137 -0.6764 -0.5719 PRESSURE: 1825600 -242.004 -16.1634 110.893 -16.1629 -9.03224 -72.9417 110.893 -72.9407 -52.2349 GPRESSURE: 1825600 -167.444 -37.8453 114.39 -102.395 23.656 -4.24108 48.3591 -123.395 -88.0125 PRESSAVG: 1825600 19.8506 -30.0842 13.1536 -30.0841 -20.1485 -20.508 13.1536 -20.508 -14.347 GPRESSAVG: 1825600 19.6175 -31.9442 13.8577 -28.7658 -19.9552 -20.7497 12.6913 -22.6295 -14.3472 TIMING: 1825600 CPU: 5844.58, 0.00319986/step Wall: 5844.58, 0.00319986/step, 2.82157 hours remaining, 231.832031 MB of memory in use. ENERGY: 1825600 3978.7634 20654.9683 14486.5653 233.0116 -202959.4139 2201.1680 0.0000 0.0000 52373.7264 -109031.2110 300.9925 -161404.9374 -108663.5014 299.7987 -101.0903 -77.2667 761722.2094 -4.8816 -4.8950 PRESSURE: 1825800 17.6191 -0.549041 -106.875 -0.549594 -86.0093 26.9215 -106.876 26.9232 44.6334 GPRESSURE: 1825800 92.7318 56.6096 -201.359 26.7856 -76.1144 57.3107 17.7794 -17.8472 53.6661 PRESSAVG: 1825800 -18.9096 -59.4881 81.1486 -59.4881 22.4693 -21.1106 81.1486 -21.1105 -11.0106 GPRESSAVG: 1825800 -17.3239 -57.8895 79.3188 -59.5158 20.9821 -21.2098 82.3763 -20.0532 -11.3317 TIMING: 1825800 CPU: 5845.22, 0.00319579/step Wall: 5845.22, 0.00319579/step, 2.81779 hours remaining, 231.832031 MB of memory in use. ENERGY: 1825800 3929.7590 20573.8525 14505.9728 253.2473 -203317.2514 2499.5046 0.0000 0.0000 52398.1260 -109156.7893 301.1328 -161554.9154 -108782.8728 300.1016 -7.9189 23.4278 761795.3462 -2.4836 -2.5578 PRESSURE: 1826000 -52.2304 -235.501 47.3808 -235.501 -98.5558 220.549 47.3808 220.549 -73.5709 GPRESSURE: 1826000 -4.04354 -334.338 121.063 -210.094 -100.436 -51.0907 -115.601 365.76 -29.338 PRESSAVG: 1826000 1.30034 -49.175 5.98305 -49.175 -21.6204 -20.226 5.98306 -20.2259 -3.89856 GPRESSAVG: 1826000 -0.518618 -50.2509 9.89877 -47.7828 -20.0462 -19.8911 2.67654 -19.614 -4.45979 TIMING: 1826000 CPU: 5845.86, 0.00320521/step Wall: 5845.86, 0.00320521/step, 2.82593 hours remaining, 231.832031 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: 1826000 4073.1215 20456.9120 14482.7481 246.8857 -202849.4593 2401.3580 0.0000 0.0000 52123.1692 -109065.2648 299.5526 -161188.4340 -108700.0725 299.7736 -74.7857 -44.6057 762021.7805 -8.0729 -8.3415 PRESSURE: 1826200 172.726 31.6209 240.753 31.6213 -153.983 -45.9056 240.753 -45.9058 -242.109 GPRESSURE: 1826200 242.505 67.6098 211.938 50.4342 -161.763 -40.0989 109.523 -87.6601 -204.098 PRESSAVG: 1826200 45.6527 -30.3175 2.93185 -30.3175 -33.8755 43.7195 2.93183 43.7196 11.248 GPRESSAVG: 1826200 45.261 -30.3949 -1.0416 -31.1902 -34.4335 44.8403 4.90818 41.839 11.9897 TIMING: 1826200 CPU: 5846.5, 0.00319118/step Wall: 5846.5, 0.00319118/step, 2.81338 hours remaining, 231.832031 MB of memory in use. ENERGY: 1826200 3979.6835 20374.9412 14534.5591 239.5080 -202939.0328 2549.8876 0.0000 0.0000 52345.1371 -108915.3163 300.8282 -161260.4535 -108542.9938 300.4738 -74.4553 -41.1184 762757.2945 7.6751 7.6057 PRESSURE: 1826400 177.149 -28.0482 -152.807 -28.0484 136.294 119.337 -152.808 119.336 213.654 GPRESSURE: 1826400 251.301 -122.222 -107.222 -62.6827 69.3466 30.8843 -292.127 123.555 297.375 PRESSAVG: 1826400 52.3302 -46.6703 -43.4381 -46.6702 -3.77414 -17.0964 -43.4381 -17.0965 -13.1908 GPRESSAVG: 1826400 53.1858 -46.9232 -42.0048 -46.1126 -4.72512 -19.5672 -42.2844 -15.8745 -12.7276 TIMING: 1826400 CPU: 5847.14, 0.00318117/step Wall: 5847.14, 0.00318117/step, 2.80438 hours remaining, 231.832031 MB of memory in use. ENERGY: 1826400 3931.9656 20536.5072 14497.0187 246.2800 -202994.0979 2435.6080 0.0000 0.0000 52291.3744 -109055.3440 300.5192 -161346.7184 -108694.9464 300.2476 175.6992 206.0074 760920.0040 11.7884 11.9110 PRESSURE: 1826600 151.876 -177.906 20.4912 -177.906 82.1155 16.4177 20.4909 16.4184 -197.59 GPRESSURE: 1826600 233.694 -237.671 65.9352 -144.08 103.552 28.8186 50.1794 -24.5887 -213.608 PRESSAVG: 1826600 79.3666 -35.8223 -13.0809 -35.8223 -53.2046 -45.4828 -13.0809 -45.4828 -13.0375 GPRESSAVG: 1826600 79.3951 -36.4398 -13.4079 -36.2132 -52.9556 -44.8387 -14.846 -44.8682 -12.8114 TIMING: 1826600 CPU: 5847.77, 0.00315219/step Wall: 5847.77, 0.00315219/step, 2.77866 hours remaining, 231.832031 MB of memory in use. ENERGY: 1826600 4118.2881 20455.8512 14571.5320 229.9508 -203419.9397 2719.4057 0.0000 0.0000 52349.0504 -108975.8615 300.8507 -161324.9120 -108615.0634 300.4518 12.1339 41.2130 763036.5389 4.3749 4.5427 PRESSURE: 1826800 -238.881 -92.8996 -58.7275 -92.8991 205.225 106.596 -58.7276 106.597 142.915 GPRESSURE: 1826800 -182.974 -58.1167 -74.7735 -125.526 282.965 21.594 176.657 -16.5619 110.257 PRESSAVG: 1826800 -21.7908 -0.089639 29.4019 -0.0897146 26.0769 45.0442 29.402 45.0443 -17.5779 GPRESSAVG: 1826800 -22.7065 0.130668 30.1565 0.275656 27.2277 45.5411 31.9227 44.9309 -17.9798 TIMING: 1826800 CPU: 5848.4, 0.00318089/step Wall: 5848.4, 0.00318089/step, 2.80378 hours remaining, 231.832031 MB of memory in use. ENERGY: 1826800 4024.0939 20448.3785 14614.4595 223.5162 -203192.8392 2613.1750 0.0000 0.0000 52311.7441 -108957.4720 300.6363 -161269.2161 -108596.5939 300.5175 36.4196 70.0827 761937.6232 -4.4306 -4.4862 PRESSURE: 1827000 -335.422 -160.261 -152.726 -160.26 -469.389 21.2468 -152.726 21.2469 -324.529 GPRESSURE: 1827000 -279.304 -79.2204 -125.428 -5.79591 -390.049 -108.637 -86.1949 59.5229 -365.223 PRESSAVG: 1827000 9.67758 -6.51639 -15.5866 -6.51637 18.3295 -14.3439 -15.5867 -14.344 -7.31031 GPRESSAVG: 1827000 8.86673 -5.68887 -14.9747 -8.0473 18.5218 -13.9533 -16.4579 -14.8924 -7.03253 TIMING: 1827000 CPU: 5849.04, 0.00318122/step Wall: 5849.04, 0.00318122/step, 2.8039 hours remaining, 231.832031 MB of memory in use. ENERGY: 1827000 4048.1863 20438.3326 14482.8143 238.3181 -202761.8636 2249.0327 0.0000 0.0000 52315.8585 -108989.3212 300.6600 -161305.1797 -108631.2893 299.9589 -376.4466 -344.8587 761831.2284 6.8989 6.7853 PRESSURE: 1827200 -506.752 -252.076 239.903 -252.076 -75.0781 -71.1348 239.902 -71.1354 174.935 GPRESSURE: 1827200 -466.481 -285.256 213.492 -173.017 -72.6007 -92.3518 142.409 -78.9239 223.173 PRESSAVG: 1827200 15.7729 0.466486 -5.52881 0.466501 -18.8937 -40.7135 -5.52879 -40.7135 -13.0266 GPRESSAVG: 1827200 17.4842 -0.687859 -5.11375 0.700529 -20.9012 -42.0261 -5.26277 -39.8098 -12.6284 TIMING: 1827200 CPU: 5849.68, 0.00320984/step Wall: 5849.68, 0.00320984/step, 2.82894 hours remaining, 231.832031 MB of memory in use. ENERGY: 1827200 4024.6503 20535.5150 14467.8584 223.0505 -202644.3603 2446.9367 0.0000 0.0000 52041.1594 -108905.1901 299.0813 -160946.3495 -108550.3022 300.3909 -135.6318 -105.3028 763420.2139 -5.3825 -5.3485 PRESSURE: 1827400 308.72 -14.3959 -271.662 -14.396 136.067 189.219 -271.662 189.219 241.231 GPRESSURE: 1827400 471.613 53.0519 -233.967 -37.9258 54.7248 292.752 -346.991 238.396 260.11 PRESSAVG: 1827400 -1.72061 -2.64133 -20.8399 -2.64136 -5.39345 -38.2504 -20.8399 -38.2504 20.3596 GPRESSAVG: 1827400 -1.73408 -0.621427 -22.3555 0.521538 -5.38962 -38.4204 -20.6953 -37.0754 20.4697 TIMING: 1827400 CPU: 5850.32, 0.00321228/step Wall: 5850.32, 0.00321228/step, 2.83091 hours remaining, 231.832031 MB of memory in use. ENERGY: 1827400 3871.5182 20559.4879 14506.0745 258.7856 -203083.6169 2564.9115 0.0000 0.0000 52493.3000 -108829.5392 301.6797 -161322.8393 -108460.8326 300.5017 228.6726 262.1490 763592.4331 4.4152 4.4487 PRESSURE: 1827600 -16.0276 200.542 -25.5813 200.543 72.3428 125.564 -25.5809 125.564 154.952 GPRESSURE: 1827600 27.9646 213.16 -19.7522 88.0612 169.463 54.7395 19.0221 80.4092 94.0862 PRESSAVG: 1827600 26.7263 0.422709 -23.2137 0.422591 37.6581 33.863 -23.2138 33.8629 -3.38794 GPRESSAVG: 1827600 25.7827 -1.30093 -23.0145 -1.24511 39.4534 34.027 -24.8631 33.3985 -4.68531 TIMING: 1827600 CPU: 5850.96, 0.00320256/step Wall: 5850.96, 0.00320256/step, 2.82217 hours remaining, 231.832031 MB of memory in use. ENERGY: 1827600 3946.4887 20590.0965 14539.8769 227.5484 -203340.4268 2668.0364 0.0000 0.0000 52390.5205 -108977.8593 301.0890 -161368.3798 -108612.9730 300.5893 70.4224 97.1712 759959.8572 20.3322 20.1836 PRESSURE: 1827800 -392.064 -101.987 151.768 -101.988 -56.1785 -97.4064 151.769 -97.4063 151.1 GPRESSURE: 1827800 -293.096 -87.4962 207.382 -21.8704 -40.3764 -58.7725 181.02 -120.518 121.653 PRESSAVG: 1827800 -11.733 -53.057 -31.4896 -53.0569 -1.59612 16.9185 -31.4896 16.9185 6.76586 GPRESSAVG: 1827800 -11.1619 -51.4737 -30.7805 -52.8213 -1.83081 17.6181 -29.2332 15.1582 6.84789 TIMING: 1827800 CPU: 5851.6, 0.0031764/step Wall: 5851.6, 0.0031764/step, 2.79894 hours remaining, 231.832031 MB of memory in use. ENERGY: 1827800 4054.7167 20623.1113 14519.1308 257.7382 -202644.5920 2170.2988 0.0000 0.0000 52125.3221 -108894.2742 299.5649 -161019.5963 -108537.9644 299.8791 -99.0476 -70.6062 760037.9669 -2.1878 -2.0483 PRESSURE: 1828000 -156.815 252.773 129.378 252.772 135.353 -112.865 129.379 -112.864 567.034 GPRESSURE: 1828000 -89.9943 222.014 133.543 193.345 126.623 -123.823 101.412 -52.798 572.725 PRESSAVG: 1828000 -78.4238 -49.8654 42.9929 -49.8655 33.3619 -31.8692 42.9929 -31.8692 -15.3485 GPRESSAVG: 1828000 -78.029 -49.9991 42.2811 -51.4865 32.0528 -29.878 42.564 -30.3445 -15.0275 TIMING: 1828000 CPU: 5852.23, 0.00317274/step Wall: 5852.23, 0.00317274/step, 2.79553 hours remaining, 231.832031 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: 1828000 4007.5832 20580.6239 14500.1213 263.2365 -203340.2881 2486.9772 0.0000 0.0000 52211.7157 -109290.0303 300.0614 -161501.7460 -108920.2988 299.8968 181.8574 203.1177 759723.2255 -20.1368 -20.3346 PRESSURE: 1828200 -308.46 147.433 -267.774 147.432 -47.7828 104.621 -267.774 104.622 -290.654 GPRESSURE: 1828200 -291.293 165.803 -307.83 33.8533 35.7857 44.4247 -111.59 175.035 -311.364 PRESSAVG: 1828200 14.7053 -32.5644 -5.84393 -32.5644 -8.12122 35.0995 -5.84386 35.0996 4.18212 GPRESSAVG: 1828200 13.1081 -32.9739 -6.29285 -30.2833 -6.61847 33.3936 -7.82283 34.6855 4.86156 TIMING: 1828200 CPU: 5852.87, 0.00318382/step Wall: 5852.87, 0.00318382/step, 2.80513 hours remaining, 231.832031 MB of memory in use. ENERGY: 1828200 4074.6695 20539.1390 14589.3622 244.4632 -203537.3988 2715.4938 0.0000 0.0000 52262.0596 -109112.2114 300.3508 -161374.2710 -108755.6230 300.0059 -215.6320 -188.9569 761385.1581 3.5887 3.7837 LDB: ============= START OF LOAD BALANCING ============== 5865.3 LDB: ============== END OF LOAD BALANCING =============== 5865.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5865.3 LDB: ============= START OF LOAD BALANCING ============== 5865.62 LDB: Largest compute 7033 load 0.036373 is 18.6% of average load 0.195376 LDB: Average compute 0.004415 is 2.3% of average load 0.195376 LDB: TIME 5865.62 LOAD: AVG 0.195376 MAX 0.214178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 5865.62 LOAD: AVG 0.195376 MAX 0.214178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: TIME 5865.62 LOAD: AVG 0.195376 MAX 0.214178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: ============== END OF LOAD BALANCING =============== 5865.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5865.63 PRESSURE: 1828400 -140.014 -137.319 -29.6958 -137.319 -314.889 147.211 -29.6962 147.211 23.0881 GPRESSURE: 1828400 -136.697 -158.61 -37.5659 -59.4925 -242.086 133.898 -43.3161 140.404 34.1816 PRESSAVG: 1828400 -19.032 -18.591 -34.8011 -18.591 7.91652 7.7897 -34.8011 7.78968 -2.77109 GPRESSAVG: 1828400 -19.0531 -16.3878 -35.525 -20.9775 7.4626 7.75914 -31.7078 8.33789 -2.28654 TIMING: 1828400 CPU: 5853.52, 0.00326006/step Wall: 5853.52, 0.00326006/step, 2.87211 hours remaining, 231.625000 MB of memory in use. ENERGY: 1828400 4075.5878 20559.1232 14561.3215 248.9635 -203384.6708 2460.9719 0.0000 0.0000 52204.7659 -109273.9370 300.0215 -161478.7030 -108916.2055 299.9185 -143.9382 -114.8671 761366.9872 -4.6289 -4.6257 PRESSURE: 1828600 -191.875 -158.179 -87.1499 -158.179 11.4345 38.1755 -87.1495 38.1761 -15.2803 GPRESSURE: 1828600 -133.448 -20.4521 -133.171 -188.163 77.1159 6.44699 -172.244 -28.1865 -45.8591 PRESSAVG: 1828600 -21.4721 11.9049 -58.2694 11.9049 32.7504 1.9299 -58.2694 1.92982 32.6061 GPRESSAVG: 1828600 -21.2638 10.8871 -55.2164 14.013 34.1894 3.23843 -61.1281 1.54352 31.1268 TIMING: 1828600 CPU: 5854.16, 0.00316242/step Wall: 5854.16, 0.00316242/step, 2.78592 hours remaining, 231.625000 MB of memory in use. ENERGY: 1828600 3906.6911 20575.7305 14530.3688 239.0889 -203424.7872 2636.4806 0.0000 0.0000 52393.2315 -109143.1958 301.1046 -161536.4272 -108783.4599 299.9543 -65.2404 -34.0637 760918.7051 14.6281 14.6841 PRESSURE: 1828800 334.015 -218.569 12.0223 -218.569 170.59 105.277 12.0226 105.277 38.3337 GPRESSURE: 1828800 436.948 -199.108 5.2378 -188.919 121.691 144.93 -18.904 71.4972 77.7448 PRESSAVG: 1828800 15.0404 -41.4368 -72.1072 -41.4367 9.37564 -2.98003 -72.1072 -2.97998 -16.2389 GPRESSAVG: 1828800 16.5751 -41.1307 -75.3271 -41.2792 6.39928 -4.51064 -70.6161 -3.24426 -14.7714 TIMING: 1828800 CPU: 5854.79, 0.00319404/step Wall: 5854.79, 0.00319404/step, 2.8136 hours remaining, 231.625000 MB of memory in use. ENERGY: 1828800 3907.6563 20657.7206 14571.2916 268.4667 -203687.0774 2768.7114 0.0000 0.0000 52181.7620 -109331.4689 299.8893 -161513.2309 -108973.1294 299.9806 180.9796 212.1282 760233.4853 2.7257 2.7343 PRESSURE: 1829000 -22.9093 136.39 -92.1986 136.39 24.2209 -134.081 -92.1979 -134.081 -113.921 GPRESSURE: 1829000 84.1515 126.012 -112.208 -16.0896 29.2651 -206.25 -69.5997 -209.74 -131.405 PRESSAVG: 1829000 35.3922 -19.8917 -1.47533 -19.8916 -18.2449 -30.7844 -1.47531 -30.7844 5.27945 GPRESSAVG: 1829000 35.5953 -22.1102 1.26256 -20.4607 -18.2097 -30.3879 -1.86978 -31.5052 5.3868 TIMING: 1829000 CPU: 5855.43, 0.00317678/step Wall: 5855.43, 0.00317678/step, 2.79821 hours remaining, 231.765625 MB of memory in use. ENERGY: 1829000 4036.2310 20442.1288 14639.2980 223.3538 -202942.9437 2330.1669 0.0000 0.0000 52110.9159 -109160.8492 299.4822 -161271.7651 -108803.2221 299.6575 -37.5364 -5.9960 761310.1563 7.4756 7.5908 PRESSURE: 1829200 13.5353 -64.205 -248.322 -64.205 -246.086 64.7484 -248.322 64.7481 60.5017 GPRESSURE: 1829200 20.4073 -163.413 -360.812 12.7556 -186.58 10.1232 -66.8384 8.4579 83.4422 PRESSAVG: 1829200 8.67523 -28.1443 -20.306 -28.1444 22.5969 -36.6304 -20.306 -36.6303 -7.76238 GPRESSAVG: 1829200 7.04232 -27.83 -22.3784 -29.1385 24.0752 -36.5244 -21.5961 -35.5149 -7.46069 TIMING: 1829200 CPU: 5856.06, 0.0031515/step Wall: 5856.06, 0.0031515/step, 2.77577 hours remaining, 231.765625 MB of memory in use. ENERGY: 1829200 3970.0315 20485.2121 14538.7520 241.0281 -203225.4918 2520.8964 0.0000 0.0000 52259.2500 -109210.3216 300.3346 -161469.5716 -108847.6239 299.8906 -57.3497 -27.5770 760593.9348 7.8366 7.8856 PRESSURE: 1829400 241.68 -50.5334 -313.228 -50.5324 17.4854 58.0547 -313.228 58.0543 203.442 GPRESSURE: 1829400 257.46 -19.936 -348.557 -87.9722 59.9531 67.3681 -322.091 150.93 225.083 PRESSAVG: 1829400 -41.782 -58.2462 -43.4419 -58.2462 -20.3184 -26.1659 -43.4419 -26.1659 14.4496 GPRESSAVG: 1829400 -42.2774 -57.9599 -42.6475 -55.9678 -19.4857 -27.1214 -44.2178 -23.6795 13.614 TIMING: 1829400 CPU: 5856.69, 0.00316106/step Wall: 5856.69, 0.00316106/step, 2.78402 hours remaining, 231.765625 MB of memory in use. ENERGY: 1829400 3943.8693 20490.4361 14569.4587 236.4885 -203128.7937 2625.3516 0.0000 0.0000 52384.2654 -108878.9239 301.0531 -161263.1893 -108512.2245 300.2910 154.2025 180.8322 761529.7985 -15.8836 -16.0497 PRESSURE: 1829600 -67.2702 -104.752 113.367 -104.752 156.029 -104.641 113.368 -104.642 -30.2213 GPRESSURE: 1829600 16.7756 -106.094 183.518 -264.873 150.853 -89.5215 144.826 -136.261 -14.337 PRESSAVG: 1829600 14.3013 -97.9104 68.6266 -97.9105 -53.8029 -26.7223 68.6267 -26.7224 -21.7814 GPRESSAVG: 1829600 14.1067 -96.5691 69.8652 -100.555 -54.2619 -26.9145 68.194 -26.9448 -21.4591 TIMING: 1829600 CPU: 5857.32, 0.00314529/step Wall: 5857.32, 0.00314529/step, 2.76995 hours remaining, 231.765625 MB of memory in use. ENERGY: 1829600 3942.2785 20577.9955 14513.7820 255.4806 -203204.5183 2602.9390 0.0000 0.0000 52211.8100 -109100.2328 300.0620 -161312.0428 -108728.6191 300.1830 19.5126 51.0971 761862.6524 -20.4277 -20.5381 PRESSURE: 1829800 512.94 -18.1724 161.959 -18.1717 -80.7723 120.438 161.96 120.437 114.498 GPRESSURE: 1829800 428.336 74.8732 170.731 -80.5915 17.5945 208.346 27.7026 33.0215 194.781 PRESSAVG: 1829800 -61.5339 -10.1551 24.4702 -10.1551 6.12626 -21.5023 24.4701 -21.5022 15.2218 GPRESSAVG: 1829800 -61.1475 -10.0432 23.595 -9.92412 5.50369 -19.5845 26.0298 -23.8307 14.9254 TIMING: 1829800 CPU: 5857.95, 0.00314829/step Wall: 5857.95, 0.00314829/step, 2.77242 hours remaining, 231.765625 MB of memory in use. ENERGY: 1829800 3981.9329 20416.8995 14595.0815 233.3601 -203707.7939 2959.2778 0.0000 0.0000 52137.1545 -109384.0877 299.6329 -161521.2423 -109019.0816 299.4295 182.2222 213.5704 762329.4698 -13.3953 -13.5728 PRESSURE: 1830000 -105.971 35.2069 -24.7777 35.2072 4.66855 -179.143 -24.7776 -179.145 8.77717 GPRESSURE: 1830000 -96.017 -15.6301 -41.3615 104.809 -18.1159 -161.374 24.8522 -23.634 121.425 PRESSAVG: 1830000 26.8634 -46.3685 42.5658 -46.3685 -27.7554 -21.9933 42.5658 -21.9933 13.7247 GPRESSAVG: 1830000 25.9938 -45.7537 42.3717 -47.0418 -26.9615 -24.1027 41.7808 -20.8169 13.6726 TIMING: 1830000 CPU: 5858.58, 0.00316643/step Wall: 5858.58, 0.00316643/step, 2.78822 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1830000 3993.3014 20451.4853 14599.5825 246.7557 -203791.2282 2857.4971 0.0000 0.0000 52220.0214 -109422.5847 300.1092 -161642.6062 -109057.4766 299.3803 -30.8416 2.4308 761867.1795 4.2776 4.2350 PRESSURE: 1830200 -50.5977 56.0073 96.989 56.0072 -203.414 -71.6306 96.9883 -71.6309 -102.895 GPRESSURE: 1830200 24.8159 -20.2975 76.1514 104.481 -247.551 -79.2149 104.948 -114.928 -54.3221 PRESSAVG: 1830200 64.7373 64.3963 43.3442 64.3964 -45.0958 31.4017 43.3442 31.4017 4.77302 GPRESSAVG: 1830200 66.1976 61.966 42.0947 66.3271 -46.1336 32.6028 47.94 31.8462 3.85819 TIMING: 1830200 CPU: 5859.22, 0.00315888/step Wall: 5859.22, 0.00315888/step, 2.7814 hours remaining, 231.765625 MB of memory in use. ENERGY: 1830200 4026.4602 20404.2859 14598.3874 241.6214 -203250.7677 2429.4395 0.0000 0.0000 52144.9966 -109405.5768 299.6780 -161550.5734 -109046.9364 299.3998 -118.9688 -92.3526 762270.8820 8.1382 7.9741 PRESSURE: 1830400 89.7403 -209.112 -85.7593 -209.112 -93.8001 -110.577 -85.7589 -110.576 -561.01 GPRESSURE: 1830400 2.31074 -144.329 -96.6022 -202.215 -11.4071 -111.225 11.6833 -164.92 -477.816 PRESSAVG: 1830400 8.21307 14.3361 30.7293 14.3361 25.8223 -6.40444 30.7293 -6.40436 -0.6828 GPRESSAVG: 1830400 8.17882 14.0373 31.3413 14.5789 24.3655 -6.7777 26.2754 -6.71113 0.831169 TIMING: 1830400 CPU: 5859.85, 0.0031575/step Wall: 5859.85, 0.0031575/step, 2.78001 hours remaining, 231.765625 MB of memory in use. ENERGY: 1830400 3933.4184 20359.6034 14503.5110 251.4477 -203060.6407 2251.4998 0.0000 0.0000 52257.6858 -109503.4745 300.3256 -161761.1604 -109149.5116 299.8736 -188.3567 -162.3041 760950.4685 11.1175 11.1252 PRESSURE: 1830600 141.826 53.7291 130.466 53.7299 273.337 133.221 130.465 133.222 271.631 GPRESSURE: 1830600 171.387 13.2232 146.5 108.861 266.143 179.423 100.242 48.9451 319.66 PRESSAVG: 1830600 67.814 -28.4467 -9.57807 -28.4467 -8.28206 -1.61123 -9.57813 -1.61118 -4.95202 GPRESSAVG: 1830600 67.6791 -28.0383 -9.86726 -28.6138 -8.13993 -0.622252 -7.88513 -1.24524 -5.58681 TIMING: 1830600 CPU: 5860.48, 0.00315239/step Wall: 5860.48, 0.00315239/step, 2.77533 hours remaining, 231.765625 MB of memory in use. ENERGY: 1830600 3965.3051 20327.8374 14545.4130 232.1982 -203801.7514 2929.8877 0.0000 0.0000 52020.8000 -109780.3100 298.9643 -161801.1100 -109422.3160 299.2156 228.9309 252.3967 761148.4760 18.1933 17.9841 PRESSURE: 1830800 1.62759 -141.887 89.9516 -141.888 23.9493 111.73 89.9518 111.729 -197.188 GPRESSURE: 1830800 31.8368 -80.5531 151.819 -189.093 103.184 167.873 103.242 130.191 -226.043 PRESSAVG: 1830800 12.4686 -10.773 18.6535 -10.773 -10.9307 -3.73688 18.6535 -3.73697 1.74477 GPRESSAVG: 1830800 12.5173 -10.6962 18.8024 -9.73856 -10.7182 -3.16696 17.9807 -5.2336 1.198 TIMING: 1830800 CPU: 5861.11, 0.00315516/step Wall: 5861.11, 0.00315516/step, 2.77759 hours remaining, 231.765625 MB of memory in use. ENERGY: 1830800 3951.5322 20282.3134 14475.7673 244.5055 -203003.9001 2191.8707 0.0000 0.0000 52180.5545 -109677.3563 299.8824 -161857.9108 -109308.9145 298.7079 -57.2037 -30.3406 761911.3539 1.0942 0.9990 PRESSURE: 1831000 326.907 -143.736 17.0739 -143.735 181.995 -170.328 17.074 -170.328 82.2393 GPRESSURE: 1831000 399.5 -97.3502 -52.171 -181.941 100.175 -94.6113 3.09244 -6.64522 158.048 PRESSAVG: 1831000 39.4151 -45.4979 45.9052 -45.4979 -47.0606 40.7334 45.9052 40.7334 -19.0928 GPRESSAVG: 1831000 39.7458 -44.5214 46.4657 -47.2427 -47.4411 39.882 45.8338 42.1873 -18.8268 TIMING: 1831000 CPU: 5861.74, 0.00315564/step Wall: 5861.74, 0.00315564/step, 2.77784 hours remaining, 231.765625 MB of memory in use. ENERGY: 1831000 4026.9340 20439.0083 14465.8370 251.7116 -203445.1740 2530.7049 0.0000 0.0000 52025.8153 -109705.1630 298.9931 -161730.9783 -109347.9520 298.8415 197.0471 219.2411 758525.2012 -8.9127 -8.8407 PRESSURE: 1831200 189.348 21.8855 -32.3885 21.8858 206.512 -13.2771 -32.3889 -13.2768 77.737 GPRESSURE: 1831200 275.618 22.1883 -42.5684 53.9406 191.676 -12.1337 140.225 -53.6085 80.881 PRESSAVG: 1831200 48.6691 -23.7078 -42.8312 -23.7078 -4.61553 -24.3675 -42.8312 -24.3676 17.5873 GPRESSAVG: 1831200 47.8535 -26.8073 -43.4726 -23.6176 -3.05302 -23.8638 -40.4149 -27.1776 17.0073 TIMING: 1831200 CPU: 5862.37, 0.00316269/step Wall: 5862.37, 0.00316269/step, 2.78387 hours remaining, 231.765625 MB of memory in use. ENERGY: 1831200 3973.0442 20469.2114 14541.8685 232.9888 -203783.4133 2605.8015 0.0000 0.0000 52282.9228 -109677.5762 300.4707 -161960.4990 -109320.7222 299.2078 157.8658 182.7252 757986.4644 20.5470 20.6026 PRESSURE: 1831400 -96.1118 41.4974 45.9569 41.4979 -223.154 140.312 45.9566 140.312 -26.3876 GPRESSURE: 1831400 -67.3966 -45.2748 40.1457 85.0484 -220.137 140.86 142.759 130.708 17.4652 PRESSAVG: 1831400 84.2565 14.4951 4.64763 14.4951 -47.1928 13.1324 4.64757 13.1324 -6.0421 GPRESSAVG: 1831400 83.9309 16.2793 4.39668 13.3787 -48.6071 12.765 2.7004 14.0332 -4.48818 TIMING: 1831400 CPU: 5863.01, 0.00316212/step Wall: 5863.01, 0.00316212/step, 2.78319 hours remaining, 231.765625 MB of memory in use. ENERGY: 1831400 4045.5207 20334.0639 14427.4113 253.2749 -203353.5996 2652.7834 0.0000 0.0000 52073.3428 -109567.2027 299.2662 -161640.5455 -109194.5286 299.3737 -115.2178 -90.0227 762762.1003 10.3405 10.2785 PRESSURE: 1831600 298.099 0.225588 -23.0128 0.226109 -404.872 56.6244 -23.013 56.6255 43.3158 GPRESSURE: 1831600 314.252 -30.8535 -98.157 -82.0097 -359.048 56.9736 77.6212 96.559 77.8166 PRESSAVG: 1831600 -21.6626 20.4098 -17.6344 20.4099 -53.9797 60.5265 -17.6344 60.5265 -0.730871 GPRESSAVG: 1831600 -22.2511 21.9416 -16.1537 21.7516 -52.1576 60.2625 -19.4764 61.428 -1.63755 TIMING: 1831600 CPU: 5863.63, 0.0031301/step Wall: 5863.63, 0.0031301/step, 2.75483 hours remaining, 231.765625 MB of memory in use. ENERGY: 1831600 3960.9443 20425.4904 14549.6645 225.4452 -203568.7194 2818.2157 0.0000 0.0000 52074.7967 -109514.1626 299.2746 -161588.9593 -109145.5931 298.9986 -21.1524 11.0067 761298.8505 -25.4577 -25.3488 PRESSURE: 1831800 -74.7815 -39.7926 235.735 -39.7928 322.781 250.404 235.735 250.404 -205.024 GPRESSURE: 1831800 -86.2897 -124.806 241.03 -82.4621 288.604 301.01 280.192 312.25 -90.0318 PRESSAVG: 1831800 3.71285 -56.4054 -12.369 -56.4053 -18.6455 -19.796 -12.369 -19.796 -15.6789 GPRESSAVG: 1831800 4.18038 -58.1224 -13.3157 -56.3293 -19.4656 -19.0629 -9.67513 -19.0751 -15.1745 TIMING: 1831800 CPU: 5864.26, 0.00313635/step Wall: 5864.26, 0.00313635/step, 2.76016 hours remaining, 231.765625 MB of memory in use. ENERGY: 1831800 3970.4559 20507.5207 14513.6928 239.7201 -203406.9100 2578.2305 0.0000 0.0000 51973.1767 -109624.1133 298.6906 -161597.2900 -109280.2981 298.8116 14.3249 37.4276 760240.4397 -10.2039 -10.1532 PRESSURE: 1832000 -277.437 -274.301 28.794 -274.301 290.314 -325.828 28.7936 -325.827 41.7912 GPRESSURE: 1832000 -169.178 -224.226 -74.0775 -153.349 281.14 -267.755 84.5472 -305.382 49.2519 PRESSAVG: 1832000 -2.96509 -58.7652 1.19662 -58.7653 -4.24037 23.066 1.19657 23.0659 -10.7622 GPRESSAVG: 1832000 -1.85141 -57.6916 0.519448 -58.1287 -4.26161 21.2172 1.90977 22.3387 -11.9239 TIMING: 1832000 CPU: 5864.88, 0.00312805/step Wall: 5864.88, 0.00312805/step, 2.75269 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1832000 4029.9243 20348.2742 14578.2964 258.3297 -203651.1032 2773.4361 0.0000 0.0000 51957.3029 -109705.5396 298.5993 -161662.8425 -109341.4573 298.8128 18.2228 53.7380 761041.4609 -5.9892 -6.0123 PRESSURE: 1832200 -98.3013 -154.336 133.894 -154.335 6.08165 96.9044 133.895 96.9046 39.7185 GPRESSURE: 1832200 -186.725 -238.852 212.549 -131.704 135.895 76.9524 198.29 120.384 88.4949 PRESSAVG: 1832200 43.9233 -25.7042 4.60955 -25.7042 -46.933 0.884562 4.6096 0.884579 9.72172 GPRESSAVG: 1832200 43.5265 -26.9306 6.1403 -24.5509 -47.2784 0.582702 5.42131 3.41093 11.0593 TIMING: 1832200 CPU: 5865.51, 0.00313512/step Wall: 5865.51, 0.00313512/step, 2.75873 hours remaining, 231.765625 MB of memory in use. ENERGY: 1832200 4022.8068 20459.2393 14467.3215 239.8929 -203535.3826 2672.0510 0.0000 0.0000 51980.5103 -109693.5608 298.7327 -161674.0711 -109335.4476 298.5315 -17.5004 12.5551 760160.9081 2.2373 2.4358 LDB: ============= START OF LOAD BALANCING ============== 5877.93 LDB: ============== END OF LOAD BALANCING =============== 5877.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5877.93 LDB: ============= START OF LOAD BALANCING ============== 5878.25 LDB: Largest compute 7033 load 0.033641 is 17.2% of average load 0.195391 LDB: Average compute 0.004399 is 2.3% of average load 0.195391 LDB: TIME 5878.25 LOAD: AVG 0.195391 MAX 0.213255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.434 MB LDB: TIME 5878.25 LOAD: AVG 0.195391 MAX 0.213255 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.438 MB LDB: TIME 5878.25 LOAD: AVG 0.195391 MAX 0.213255 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.438 MB LDB: ============== END OF LOAD BALANCING =============== 5878.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5878.26 PRESSURE: 1832400 -0.773306 -69.476 186.187 -69.4752 -151.238 56.1841 186.187 56.1831 229.059 GPRESSURE: 1832400 153.445 -72.3445 197.398 -16.695 -130.457 112.238 34.2939 17.6975 141.96 PRESSAVG: 1832400 8.58929 -38.6723 0.431928 -38.6723 -34.2807 -3.61165 0.431911 -3.6116 12.0323 GPRESSAVG: 1832400 9.82707 -37.7402 -0.638091 -40.7612 -33.8641 -3.02294 -1.28082 -7.26042 10.6927 TIMING: 1832400 CPU: 5866.16, 0.00322072/step Wall: 5866.16, 0.00322072/step, 2.83387 hours remaining, 232.910156 MB of memory in use. ENERGY: 1832400 3900.7723 20380.6664 14534.9569 243.1043 -203719.2377 2782.8451 0.0000 0.0000 52382.0113 -109494.8814 301.0401 -161876.8927 -109134.8105 298.8838 25.6828 54.9827 759541.2141 -4.5530 -4.4481 PRESSURE: 1832600 -283.694 64.9506 -76.1955 64.9509 -256.165 6.59998 -76.1952 6.60009 -230.748 GPRESSURE: 1832600 -175.694 118.952 -38.7342 48.7047 -261.91 38.556 -27.8362 13.7463 -250.017 PRESSAVG: 1832600 -15.3217 13.9454 -11.6251 13.9454 7.93114 -8.54314 -11.6251 -8.54313 12.1343 GPRESSAVG: 1832600 -16.165 13.8581 -11.7646 14.8609 7.8387 -8.7964 -11.7371 -7.11871 13.1655 TIMING: 1832600 CPU: 5866.79, 0.00316319/step Wall: 5866.79, 0.00316319/step, 2.78308 hours remaining, 233.113281 MB of memory in use. ENERGY: 1832600 3966.8785 20545.9537 14512.6578 240.1844 -202958.5557 2304.9686 0.0000 0.0000 52149.6962 -109238.2167 299.7050 -161387.9128 -108886.0166 299.5348 -256.8687 -229.2070 762120.3188 1.5812 1.6131 PRESSURE: 1832800 303.995 -64.9538 -260.993 -64.9539 -102.123 233.657 -260.993 233.657 -255.397 GPRESSURE: 1832800 268.214 -6.42422 -202.042 -46.6264 -52.0849 173.84 -221.801 234.036 -165.062 PRESSAVG: 1832800 39.1866 -14.802 0.642635 -14.8019 -58.9269 -12.9546 0.642583 -12.9544 2.71495 GPRESSAVG: 1832800 39.5274 -15.0919 0.917601 -15.9595 -59.0112 -13.6575 0.444774 -10.9838 2.90692 TIMING: 1832800 CPU: 5867.42, 0.00316736/step Wall: 5867.42, 0.00316736/step, 2.78658 hours remaining, 233.113281 MB of memory in use. ENERGY: 1832800 4003.3786 20564.6464 14517.0401 237.6873 -203304.8381 2691.4816 0.0000 0.0000 52054.6054 -109235.9988 299.1585 -161290.6042 -108877.1336 299.3886 -17.8418 17.0224 762014.3146 -5.6751 -5.5256 PRESSURE: 1833000 -204.839 -64.0111 0.327708 -64.0099 -325.675 -197.833 0.328108 -197.832 -201.532 GPRESSURE: 1833000 -113.754 -55.1292 18.5435 -97.5678 -273.671 -96.7653 -127.35 -97.5133 -258.161 PRESSAVG: 1833000 14.0952 -28.4336 -10.8144 -28.4336 -11.2754 36.3121 -10.8144 36.312 -15.7292 GPRESSAVG: 1833000 13.9247 -27.8401 -10.5454 -26.5572 -11.6672 39.034 -9.00012 34.2349 -16.0739 TIMING: 1833000 CPU: 5868.05, 0.00315071/step Wall: 5868.05, 0.00315071/step, 2.77175 hours remaining, 233.113281 MB of memory in use. ENERGY: 1833000 3949.7578 20493.9553 14613.7264 239.4974 -202893.6690 2306.0046 0.0000 0.0000 51921.0325 -109369.6950 298.3909 -161290.7275 -109006.2338 299.3604 -244.0154 -215.1952 761876.8915 -4.3031 -4.6055 PRESSURE: 1833200 396.959 -73.7768 -175.486 -73.7763 -242.815 145.875 -175.487 145.876 77.1343 GPRESSURE: 1833200 379.207 18.2377 -180.03 -2.75384 -185.471 50.4393 -212.176 176.336 141.925 PRESSAVG: 1833200 18.5987 -67.7756 37.0935 -67.7756 -1.40366 22.2722 37.0935 22.2721 15.8395 GPRESSAVG: 1833200 18.711 -67.1029 37.6943 -69.0821 -0.327567 21.1264 35.478 21.3529 14.9727 TIMING: 1833200 CPU: 5868.68, 0.00316293/step Wall: 5868.68, 0.00316293/step, 2.78233 hours remaining, 233.113281 MB of memory in use. ENERGY: 1833200 4005.8435 20445.9258 14578.4620 227.0867 -203112.4992 2631.6626 0.0000 0.0000 51935.9208 -109287.5978 298.4765 -161223.5186 -108929.0235 299.4578 77.0928 111.8870 760213.2178 11.0115 11.1187 PRESSURE: 1833400 -158.414 -227.489 -38.125 -227.49 -202.24 90.461 -38.125 90.4617 325.785 GPRESSURE: 1833400 -120.982 -274.955 -8.14349 -221.178 -80.4737 86.7664 -164.267 96.7315 263.306 PRESSAVG: 1833400 10.5667 -25.5005 10.4231 -25.5006 -22.3582 -34.7072 10.4231 -34.7072 -11.0341 GPRESSAVG: 1833400 11.0908 -27.7372 11.0829 -24.7329 -24.3062 -34.6645 10.3937 -35.1698 -9.79596 TIMING: 1833400 CPU: 5869.32, 0.00315592/step Wall: 5869.32, 0.00315592/step, 2.77599 hours remaining, 233.113281 MB of memory in use. ENERGY: 1833400 3949.0365 20473.6371 14505.0326 230.3400 -202875.4164 2287.6079 0.0000 0.0000 52180.0404 -109249.7220 299.8794 -161429.7623 -108885.1433 299.4604 -11.6231 20.6167 760231.4017 -7.6085 -7.6705 PRESSURE: 1833600 -32.1389 176.445 -80.6687 176.444 -175.137 196.791 -80.6683 196.792 107.347 GPRESSURE: 1833600 1.08674 165.068 4.92245 170.676 -139.117 211.726 -54.9771 158.999 117.118 PRESSAVG: 1833600 11.0037 -27.4304 47.322 -27.4304 -30.905 -18.1474 47.322 -18.1474 -14.4231 GPRESSAVG: 1833600 10.3538 -24.6674 46.4874 -29.2609 -29.4353 -18.2182 47.9755 -17.5339 -15.1055 TIMING: 1833600 CPU: 5869.95, 0.00316063/step Wall: 5869.95, 0.00316063/step, 2.77995 hours remaining, 233.113281 MB of memory in use. ENERGY: 1833600 3996.5155 20454.8666 14525.0430 252.4431 -203019.2362 2453.2396 0.0000 0.0000 52077.8927 -109259.2358 299.2924 -161337.1285 -108888.0703 299.1763 -33.3098 -6.9710 761138.5259 -11.4414 -11.3957 PRESSURE: 1833800 122.911 -133.367 0.210696 -133.368 -223.194 71.5749 0.210797 71.5749 -274.482 GPRESSURE: 1833800 221.152 -118.395 36.7297 -65.9469 -142.935 97.6674 -86.3211 99.0399 -343.309 PRESSAVG: 1833800 56.8669 -1.06784 8.52227 -1.06778 -28.9801 -20.5676 8.52231 -20.5675 -0.802208 GPRESSAVG: 1833800 57.2269 -3.18567 8.09385 0.88135 -29.1585 -21.7755 9.79414 -21.6512 -0.689063 TIMING: 1833800 CPU: 5870.58, 0.0031454/step Wall: 5870.58, 0.0031454/step, 2.76638 hours remaining, 233.113281 MB of memory in use. ENERGY: 1833800 4018.0024 20629.1741 14530.1616 241.0596 -203324.3505 2651.0356 0.0000 0.0000 52003.0386 -109251.8786 298.8622 -161254.9172 -108897.9914 299.3864 -124.9213 -88.3639 762548.8955 9.0282 9.1265 PRESSURE: 1834000 -4.16791 126.14 -98.6054 126.14 -132.524 192.806 -98.6051 192.805 -275.295 GPRESSURE: 1834000 78.9118 93.5171 -111.114 166.324 -90.8254 109.999 -130.626 144.733 -322.155 PRESSAVG: 1834000 2.7212 7.14108 17.8093 7.14106 14.7339 -20.5499 17.8094 -20.55 -1.1185 GPRESSAVG: 1834000 1.59893 8.67523 18.6065 4.84718 15.0291 -19.8031 15.973 -16.6226 -0.534347 TIMING: 1834000 CPU: 5871.21, 0.00315238/step Wall: 5871.21, 0.00315238/step, 2.77234 hours remaining, 233.113281 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: 1834000 3990.9952 20543.5081 14598.3099 241.0358 -203205.3925 2524.6981 0.0000 0.0000 52182.2775 -109124.5679 299.8923 -161306.8454 -108758.1513 299.6225 -137.3288 -111.3561 761362.8585 5.4455 5.3646 PRESSURE: 1834200 243.518 282.425 63.6788 282.424 -186.042 46.5081 63.6786 46.5089 224.134 GPRESSURE: 1834200 173.541 177.535 -78.0649 173.825 -22.8815 99.6407 145.551 -10.2675 212.932 PRESSAVG: 1834200 50.2721 35.8834 15.2831 35.8835 -16.5537 -18.6917 15.2832 -18.6917 12.2414 GPRESSAVG: 1834200 50.4036 35.3644 12.3704 37.6223 -16.3582 -18.2396 17.4309 -21.7848 11.8508 TIMING: 1834200 CPU: 5871.84, 0.00314272/step Wall: 5871.84, 0.00314272/step, 2.76368 hours remaining, 233.113281 MB of memory in use. ENERGY: 1834200 4057.0716 20294.2883 14573.4873 259.8172 -203301.0839 2611.6539 0.0000 0.0000 52425.9502 -109078.8153 301.2927 -161504.7655 -108708.1482 300.2608 93.8698 121.1973 761030.5540 15.3199 15.2987 PRESSURE: 1834400 -22.2667 46.3293 130.093 46.3291 -159.091 -143.6 130.093 -143.599 71.8112 GPRESSURE: 1834400 115.153 47.3098 106.661 16.656 -108.63 -101.567 97.1256 -108.619 -4.98497 PRESSAVG: 1834400 14.4198 7.4626 0.209018 7.46259 12.3655 -21.1823 0.209032 -21.1824 0.164075 GPRESSAVG: 1834400 13.9691 8.03084 2.91334 5.78976 12.9291 -21.2568 -1.22848 -20.7556 -0.541748 TIMING: 1834400 CPU: 5872.47, 0.00315286/step Wall: 5872.47, 0.00315286/step, 2.77241 hours remaining, 233.113281 MB of memory in use. ENERGY: 1834400 4004.4194 20423.0574 14587.9215 251.5440 -203000.1925 2556.8771 0.0000 0.0000 52070.9162 -109105.4569 299.2523 -161176.3731 -108745.0539 300.0640 -36.5156 0.5128 761956.2946 8.9831 8.7855 PRESSURE: 1834600 24.4005 4.23258 66.2423 4.2328 211.65 39.0348 66.2429 39.0357 9.86832 GPRESSURE: 1834600 33.767 4.52908 72.5862 58.4559 255.441 29.9186 28.1067 -36.4434 42.8137 PRESSAVG: 1834600 13.6064 -8.07475 -1.98587 -8.07473 -32.2904 12.7091 -1.98577 12.7091 4.03118 GPRESSAVG: 1834600 13.4282 -8.33178 -1.75233 -8.26001 -32.4576 13.4647 -2.3241 13.449 4.52 TIMING: 1834600 CPU: 5873.1, 0.00315459/step Wall: 5873.1, 0.00315459/step, 2.77376 hours remaining, 233.113281 MB of memory in use. ENERGY: 1834600 3989.9632 20495.0190 14539.6039 232.4676 -203084.0816 2531.2848 0.0000 0.0000 52019.4001 -109276.3430 298.9562 -161295.7431 -108918.4306 300.0281 81.9730 110.6739 761373.9796 -4.8843 -4.8365 PRESSURE: 1834800 340.948 -24.6452 -41.6634 -24.6442 369.948 136.307 -41.664 136.307 261.524 GPRESSURE: 1834800 327.371 83.5745 -128.235 -95.7112 468.188 152.557 -78.9967 263.33 256.387 PRESSAVG: 1834800 -9.52045 -23.7996 -8.39589 -23.7996 12.4021 22.1981 -8.3959 22.1982 4.11631 GPRESSAVG: 1834800 -10.0131 -24.2029 -10.1095 -22.5636 12.1762 21.4742 -9.09513 22.7951 4.39355 TIMING: 1834800 CPU: 5873.73, 0.00314325/step Wall: 5873.73, 0.00314325/step, 2.76362 hours remaining, 233.113281 MB of memory in use. ENERGY: 1834800 3985.8449 20486.2129 14562.3235 250.4077 -203586.2133 3076.5011 0.0000 0.0000 51948.9016 -109276.0216 298.5511 -161224.9232 -108919.6239 299.9925 324.1399 350.6486 760717.1160 2.3326 2.1856 PRESSURE: 1835000 51.7591 -74.0947 75.063 -74.0953 -304.899 -218.464 75.0629 -218.464 -19.5799 GPRESSURE: 1835000 84.5565 -206.436 -36.7346 -141.444 -289.871 -281.843 33.8058 -240.299 28.7481 PRESSAVG: 1835000 35.2264 -23.5267 -2.06832 -23.5267 -41.6162 43.4234 -2.06824 43.4234 2.26547 GPRESSAVG: 1835000 34.5985 -22.6771 -0.618689 -25.4631 -41.1219 42.8505 -3.20986 44.6763 2.60715 TIMING: 1835000 CPU: 5874.35, 0.00313835/step Wall: 5874.35, 0.00313835/step, 2.75913 hours remaining, 233.113281 MB of memory in use. ENERGY: 1835000 4015.1348 20524.5784 14455.4960 231.1009 -202988.7585 2620.4521 0.0000 0.0000 52079.0196 -109062.9768 299.2988 -161141.9964 -108700.9310 299.4821 -90.9064 -58.8553 763226.0547 -1.3748 -1.3054 PRESSURE: 1835200 -261.314 143.219 81.0187 143.219 45.0434 -99.2288 81.0195 -99.2277 -459.031 GPRESSURE: 1835200 -195.981 241.639 88.9559 142.487 54.2122 -112.875 6.63986 -164.739 -436.758 PRESSAVG: 1835200 43.2399 22.9242 -30.7819 22.9243 -38.5344 33.3305 -30.7818 33.3305 -10.7199 GPRESSAVG: 1835200 44.4044 22.2269 -30.9334 24.2167 -38.9167 34.1545 -29.114 31.4447 -11.5409 TIMING: 1835200 CPU: 5874.98, 0.0031542/step Wall: 5874.98, 0.0031542/step, 2.7729 hours remaining, 233.113281 MB of memory in use. ENERGY: 1835200 3928.0649 20335.8353 14594.4266 244.6922 -202861.6160 2492.2133 0.0000 0.0000 51934.8491 -109331.5348 298.4703 -161266.3839 -108971.6413 299.5163 -225.1004 -192.8423 761909.0905 -2.0048 -2.0178 PRESSURE: 1835400 -163.205 -16.9521 18.4425 -16.9522 90.045 74.7118 18.4428 74.7113 -364.454 GPRESSURE: 1835400 -96.4792 -45.6687 -15.6951 55.3963 64.2959 41.3607 89.4494 59.5341 -316.007 PRESSAVG: 1835400 -17.6069 13.0729 41.1215 13.0729 69.2868 8.05634 41.1215 8.0564 -16.4123 GPRESSAVG: 1835400 -16.8984 11.7097 40.7048 14.5821 67.4474 7.96754 39.7142 9.69688 -15.1678 TIMING: 1835400 CPU: 5875.61, 0.00314641/step Wall: 5875.61, 0.00314641/step, 2.76587 hours remaining, 233.113281 MB of memory in use. ENERGY: 1835400 3974.4683 20358.4405 14565.4338 240.4392 -203018.9555 2397.5818 0.0000 0.0000 52279.4966 -109203.0953 300.4510 -161482.5919 -108841.0946 299.8247 -145.8713 -116.0634 760060.2407 11.7559 11.7937 PRESSURE: 1835600 348.824 -35.4465 -62.0222 -35.4475 -177.093 61.348 -62.0232 61.3479 -74.1133 GPRESSURE: 1835600 381.562 81.2918 -96.8304 -154.895 -85.5141 0.120449 -31.4982 107.507 -116.25 PRESSAVG: 1835600 8.96172 -14.105 -4.76982 -14.105 -51.4825 42.0015 -4.76979 42.0014 -5.16347 GPRESSAVG: 1835600 7.5312 -12.9173 -3.7415 -15.9204 -49.7757 41.9054 -2.11758 41.9709 -5.86557 TIMING: 1835600 CPU: 5876.25, 0.00317232/step Wall: 5876.25, 0.00317232/step, 2.78847 hours remaining, 233.113281 MB of memory in use. ENERGY: 1835600 4066.1601 20457.9847 14570.7445 268.0341 -203525.8986 2759.8146 0.0000 0.0000 52135.2834 -109267.8772 299.6222 -161403.1606 -108908.1395 300.1940 32.5392 59.9326 760119.0889 -15.8947 -16.0367 PRESSURE: 1835800 -111.072 19.8728 131.036 19.8724 -319.267 -5.89338 131.036 -5.89379 -132.616 GPRESSURE: 1835800 -124.256 81.4939 89.2147 108.831 -177.962 9.45792 -8.43917 46.9926 -181.067 PRESSAVG: 1835800 -3.8956 -7.97985 -12.3902 -7.97989 11.1432 -4.30599 -12.3902 -4.30589 3.95155 GPRESSAVG: 1835800 -4.69768 -8.50246 -13.6906 -5.90946 12.135 -4.98761 -12.3623 -4.77423 3.5365 TIMING: 1835800 CPU: 5876.88, 0.00317883/step Wall: 5876.88, 0.00317883/step, 2.79401 hours remaining, 233.113281 MB of memory in use. ENERGY: 1835800 4038.1070 20540.1066 14586.8116 232.9885 -203256.5183 2498.6681 0.0000 0.0000 52248.5243 -109111.3120 300.2730 -161359.8363 -108748.8618 299.6205 -187.6515 -161.0950 762748.7430 3.7331 3.6579 PRESSURE: 1836000 128.563 112.466 -22.888 112.466 -318.788 -71.2568 -22.8879 -71.2565 -150.318 GPRESSURE: 1836000 145.915 53.5939 -93.4542 156.983 -171.003 -61.2083 -57.1767 -77.5101 -211.392 PRESSAVG: 1836000 49.9695 -20.364 15.8651 -20.3641 -35.2991 -8.24439 15.8651 -8.24435 -9.17576 GPRESSAVG: 1836000 51.9631 -18.8135 19.2109 -23.013 -36.779 -6.84901 14.3965 -9.63096 -9.57058 TIMING: 1836000 CPU: 5877.51, 0.00314796/step Wall: 5877.51, 0.00314796/step, 2.76671 hours remaining, 233.113281 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: 1836000 3938.0905 20532.5735 14653.2543 231.0423 -202950.6675 2361.7711 0.0000 0.0000 52049.2303 -109184.7055 299.1276 -161233.9358 -108817.6900 299.6427 -113.5141 -78.8265 762347.4061 1.8315 1.8712 PRESSURE: 1836200 211.584 -61.28 200.041 -61.2803 -248.791 -40.2696 200.04 -40.269 -153.605 GPRESSURE: 1836200 225.301 -29.8783 219.815 -92.3529 -188.827 -31.6069 79.9809 -7.31958 -128.065 PRESSAVG: 1836200 19.917 -40.0003 49.2781 -40.0002 27.521 -4.44022 49.2781 -4.44015 49.5765 GPRESSAVG: 1836200 19.7785 -41.3365 47.5838 -40.7001 27.527 -5.83407 49.6371 -2.99584 49.7441 TIMING: 1836200 CPU: 5878.14, 0.00314372/step Wall: 5878.14, 0.00314372/step, 2.76281 hours remaining, 233.113281 MB of memory in use. ENERGY: 1836200 3915.9307 20416.3928 14614.5167 255.5822 -202998.7319 2501.2754 0.0000 0.0000 52185.7951 -109109.2388 299.9125 -161295.0340 -108749.3942 300.0423 -63.6039 -30.5303 762249.9118 32.3382 32.3499 LDB: ============= START OF LOAD BALANCING ============== 5890.56 LDB: ============== END OF LOAD BALANCING =============== 5890.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5890.56 LDB: ============= START OF LOAD BALANCING ============== 5890.88 LDB: Largest compute 7033 load 0.033983 is 17.4% of average load 0.195274 LDB: Average compute 0.004425 is 2.3% of average load 0.195274 LDB: TIME 5890.88 LOAD: AVG 0.195274 MAX 0.216592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.051 MB LDB: TIME 5890.88 LOAD: AVG 0.195274 MAX 0.216592 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.145 MB LDB: TIME 5890.88 LOAD: AVG 0.195274 MAX 0.216592 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.145 MB LDB: ============== END OF LOAD BALANCING =============== 5890.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5890.89 PRESSURE: 1836400 -243.004 -178.418 131.408 -178.418 215.342 96.0786 131.408 96.0787 -183.771 GPRESSURE: 1836400 -183.391 -208.031 121.757 -119.828 266.386 152.336 32.8296 67.5565 -187.495 PRESSAVG: 1836400 -27.7697 -43.3315 -0.943113 -43.3315 4.46051 -9.98794 -0.943198 -9.98785 -6.48965 GPRESSAVG: 1836400 -27.8034 -43.1475 -0.269308 -41.8476 5.23005 -8.72628 -2.34922 -9.82718 -6.63793 TIMING: 1836400 CPU: 5878.78, 0.00320661/step Wall: 5878.78, 0.00320661/step, 2.8179 hours remaining, 232.332031 MB of memory in use. ENERGY: 1836400 4007.5148 20491.2877 14564.9726 248.8311 -203498.5937 2806.6202 0.0000 0.0000 52178.4305 -109200.9369 299.8702 -161379.3673 -108833.1274 299.9453 -70.4778 -34.8334 762273.3182 -9.9330 -9.7371 PRESSURE: 1836600 9.03738 38.7417 112.378 38.7418 132.721 72.2019 112.379 72.2018 -289.6 GPRESSURE: 1836600 97.1921 101.049 112.341 42.9324 146.737 -0.848963 80.0375 90.8742 -300.672 PRESSAVG: 1836600 18.3793 -3.3479 -56.3197 -3.34784 -2.48138 -33.9589 -56.3197 -33.959 22.7809 GPRESSAVG: 1836600 18.8814 -3.803 -56.7684 -0.896214 -3.54761 -35.6092 -56.0245 -36.7663 23.5064 TIMING: 1836600 CPU: 5879.41, 0.00313434/step Wall: 5879.41, 0.00313434/step, 2.75421 hours remaining, 232.531250 MB of memory in use. ENERGY: 1836600 3951.4728 20712.2419 14526.3579 241.1879 -203336.6266 2602.7092 0.0000 0.0000 52261.0011 -109041.6557 300.3447 -161302.6569 -108671.8695 299.8977 -49.2807 -18.9143 762383.9909 12.8929 12.9467 PRESSURE: 1836800 -169.289 -46.5777 225.844 -46.578 29.7547 145.59 225.843 145.59 356.292 GPRESSURE: 1836800 -123.891 -23.7347 244.565 -138.965 13.3451 216.612 255.356 210.627 401.349 PRESSAVG: 1836800 20.1531 28.8564 -23.6375 28.8564 0.629933 6.42795 -23.6376 6.4279 4.99274 GPRESSAVG: 1836800 19.4775 29.9111 -24.4004 25.9159 0.896451 7.3233 -20.5883 8.50415 5.96575 TIMING: 1836800 CPU: 5880.04, 0.00315722/step Wall: 5880.04, 0.00315722/step, 2.77414 hours remaining, 232.531250 MB of memory in use. ENERGY: 1836800 3971.1175 20479.2832 14594.9937 256.4442 -203324.8850 2669.6964 0.0000 0.0000 52337.2125 -109016.1374 300.7827 -161353.3499 -108654.0698 300.1462 72.2527 96.9344 763244.1549 8.5919 8.7799 PRESSURE: 1837000 -38.9697 -1.22351 210.44 -1.22269 63.0653 12.8915 210.44 12.8914 74.6506 GPRESSURE: 1837000 -50.1542 -57.8404 49.6627 -49.8325 82.2794 -3.37566 196.044 -92.1277 142.376 PRESSAVG: 1837000 20.4647 -27.3495 -37.3596 -27.3496 -40.7758 -33.9007 -37.3595 -33.9008 -15.413 GPRESSAVG: 1837000 21.1422 -29.0072 -38.0988 -25.4245 -41.4472 -34.814 -39.1789 -35.1016 -15.8088 TIMING: 1837000 CPU: 5880.67, 0.00316573/step Wall: 5880.67, 0.00316573/step, 2.78145 hours remaining, 232.531250 MB of memory in use. ENERGY: 1837000 3969.5420 20510.6007 14566.7192 250.7140 -203427.7433 2645.7612 0.0000 0.0000 52331.4411 -109152.9650 300.7495 -161484.4062 -108780.1703 299.9991 32.9154 58.1672 761896.4220 -11.9080 -12.0379 PRESSURE: 1837200 -494.325 119.807 5.55428 119.807 -240.883 -43.5328 5.55395 -43.5314 50.092 GPRESSURE: 1837200 -479.662 130.699 90.384 74.5217 -161.84 -11.6552 -41.6025 -182.014 70.0973 PRESSAVG: 1837200 19.4295 36.0194 -22.1851 36.0194 -2.58432 -40.8714 -22.1851 -40.8715 0.793437 GPRESSAVG: 1837200 18.9447 36.0745 -22.1176 35.6337 0.132071 -40.4306 -23.9684 -39.8013 -0.800615 TIMING: 1837200 CPU: 5881.31, 0.0031694/step Wall: 5881.31, 0.0031694/step, 2.78449 hours remaining, 232.531250 MB of memory in use. ENERGY: 1837200 4021.0148 20533.0433 14525.8865 246.0560 -202823.8739 2235.3326 0.0000 0.0000 51977.1239 -109285.4168 298.7132 -161262.5407 -108917.1919 300.0849 -228.3720 -190.4682 761286.3050 5.8795 6.0921 PRESSURE: 1837400 -293.122 -13.4154 40.6417 -13.4142 259.54 211.153 40.6414 211.154 -207.787 GPRESSURE: 1837400 -262.899 -5.02597 48.1299 -62.4248 220.715 120.451 92.7211 67.5169 -115.996 PRESSAVG: 1837400 -18.2014 12.091 -34.5468 12.091 -0.278511 18.0191 -34.5467 18.0191 1.92055 GPRESSAVG: 1837400 -17.9958 12.3487 -34.472 11.7143 -1.63611 18.9023 -33.1782 17.2656 3.23729 TIMING: 1837400 CPU: 5881.94, 0.00316009/step Wall: 5881.94, 0.00316009/step, 2.77614 hours remaining, 232.531250 MB of memory in use. ENERGY: 1837400 4065.5667 20439.9284 14474.4134 254.8623 -203473.8805 2516.6830 0.0000 0.0000 52338.4898 -109383.9369 300.7900 -161722.4267 -109018.6879 299.6086 -80.4562 -52.7264 760483.6685 -5.5198 -5.4649 PRESSURE: 1837600 -319.62 40.3786 -252.559 40.3788 106.961 -143.33 -252.558 -143.331 91.1332 GPRESSURE: 1837600 -197.442 -2.64665 -202.484 99.9143 158.875 -204.261 -276.785 -39.7448 -3.62424 PRESSAVG: 1837600 1.37622 -56.2009 -36.2188 -56.2009 17.271 -8.0195 -36.2188 -8.01941 -8.52254 GPRESSAVG: 1837600 0.998831 -55.6815 -35.9408 -55.3148 18.935 -7.2241 -36.48 -6.25011 -9.77078 TIMING: 1837600 CPU: 5882.57, 0.00315556/step Wall: 5882.57, 0.00315556/step, 2.77198 hours remaining, 232.531250 MB of memory in use. ENERGY: 1837600 4027.0273 20275.9948 14514.8239 251.0703 -203145.2284 2519.4846 0.0000 0.0000 52055.1832 -109501.6443 299.1619 -161556.8275 -109131.4132 299.4947 -40.5083 -14.0638 762320.1158 3.3749 3.3877 PRESSURE: 1837800 -19.1766 -97.0243 -162.801 -97.0246 -274.105 60.7359 -162.801 60.7354 66.2694 GPRESSURE: 1837800 -19.0793 -42.3019 -194.95 -66.9918 -193.26 53.7593 -159.555 68.7833 74.9292 PRESSAVG: 1837800 33.334 -54.9334 -39.7238 -54.9334 -4.23203 -5.90726 -39.7237 -5.90729 7.21773 GPRESSAVG: 1837800 33.678 -54.7771 -39.2105 -56.0087 -6.01034 -6.09593 -39.5566 -6.29929 8.34204 TIMING: 1837800 CPU: 5883.21, 0.00316541/step Wall: 5883.21, 0.00316541/step, 2.78046 hours remaining, 232.531250 MB of memory in use. ENERGY: 1837800 3839.7520 20614.8485 14538.2281 244.8263 -203047.8399 2368.0065 0.0000 0.0000 51953.5018 -109488.6767 298.5775 -161442.1785 -109127.8719 299.1051 -75.6706 -45.8033 762385.6462 12.1066 12.0032 PRESSURE: 1838000 -28.3084 71.67 -91.0467 71.6701 106.352 134.221 -91.0454 134.221 -84.1285 GPRESSURE: 1838000 -60.3815 72.6217 -5.70652 -33.3891 180.057 114.768 -48.064 61.6486 -27.9722 PRESSAVG: 1838000 15.5932 6.25723 -27.2363 6.25719 -19.0973 17.9702 -27.2363 17.9702 21.9195 GPRESSAVG: 1838000 15.1977 5.58482 -27.1035 6.68767 -18.4647 16.7461 -27.9868 18.1952 21.8533 TIMING: 1838000 CPU: 5883.84, 0.00316159/step Wall: 5883.84, 0.00316159/step, 2.77693 hours remaining, 232.531250 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: 1838000 3990.9637 20577.4697 14547.8705 217.4285 -203457.7426 2636.4714 0.0000 0.0000 52136.6560 -109350.8828 299.6301 -161487.5388 -108987.3832 299.4861 -2.0283 30.5678 760873.2656 6.1385 6.1954 PRESSURE: 1838200 -106.423 -274.429 257.929 -274.429 -81.4813 111.381 257.929 111.381 -46.2507 GPRESSURE: 1838200 -105.901 -289.514 301.974 -234.641 -78.8173 221.148 109.997 274.795 38.9198 PRESSAVG: 1838200 42.361 -36.6349 -15.1339 -36.6349 9.38112 11.7243 -15.1339 11.7243 -11.3803 GPRESSAVG: 1838200 42.1052 -38.5527 -14.201 -35.9999 8.01541 13.5191 -15.9393 12.0572 -9.67806 TIMING: 1838200 CPU: 5884.47, 0.00314734/step Wall: 5884.47, 0.00314734/step, 2.76424 hours remaining, 232.531250 MB of memory in use. ENERGY: 1838200 3998.7707 20533.2152 14573.2955 232.5426 -203475.6600 2648.1311 0.0000 0.0000 51961.4357 -109528.2691 298.6231 -161489.7048 -109173.6465 298.9071 -78.0517 -48.5996 760543.2862 13.4539 13.4808 PRESSURE: 1838400 95.0966 20.5197 113.26 20.5201 -135.872 114.185 113.26 114.186 152.556 GPRESSURE: 1838400 86.0453 -55.0901 104.373 60.2232 -76.8135 38.3019 166.381 55.0918 210.907 PRESSAVG: 1838400 31.9942 -5.28121 -49.4576 -5.28115 -44.1864 59.772 -49.4576 59.772 5.97154 GPRESSAVG: 1838400 33.3951 -3.65091 -50.6024 -5.27188 -44.5187 57.1817 -47.2274 60.4619 4.59183 TIMING: 1838400 CPU: 5885.09, 0.00312922/step Wall: 5885.09, 0.00312922/step, 2.74815 hours remaining, 232.531250 MB of memory in use. ENERGY: 1838400 3986.8309 20415.0030 14587.5054 257.2360 -203053.1404 2360.3992 0.0000 0.0000 52050.7421 -109395.4239 299.1363 -161446.1660 -109036.9936 298.7585 37.2601 73.3795 761526.7810 -2.0736 -2.1773 PRESSURE: 1838600 -251.493 -369.973 -74.0546 -369.973 253.664 -178.372 -74.0548 -178.373 153.49 GPRESSURE: 1838600 -281.488 -337.285 -71.426 -339.97 335.516 -203.273 2.97215 -124.507 183.748 PRESSAVG: 1838600 3.39794 -15.6269 -19.7239 -15.6269 -20.3812 1.70772 -19.724 1.70763 3.82083 GPRESSAVG: 1838600 1.77692 -14.4966 -20.1168 -16.1753 -18.229 1.60331 -19.1988 0.803744 3.35515 TIMING: 1838600 CPU: 5885.72, 0.0031362/step Wall: 5885.72, 0.0031362/step, 2.7541 hours remaining, 232.531250 MB of memory in use. ENERGY: 1838600 3930.0239 20527.8253 14634.3345 264.5951 -202837.9950 2237.3208 0.0000 0.0000 51974.0955 -109269.7998 298.6958 -161243.8953 -108909.4908 299.1447 51.8870 79.2586 761111.5934 -4.3875 -4.3656 PRESSURE: 1838800 -77.7457 -72.9994 223.608 -72.9993 71.3111 -4.69989 223.607 -4.69994 177.838 GPRESSURE: 1838800 -118.336 -204.102 272.041 -104.647 120.589 29.9993 317.827 -15.7122 235.788 PRESSAVG: 1838800 16.8768 -38.0048 14.673 -38.0048 18.1697 6.04121 14.673 6.04117 27.6334 GPRESSAVG: 1838800 16.7119 -37.8589 14.9254 -38.4538 17.3917 6.48928 13.5768 7.9755 27.7763 TIMING: 1838800 CPU: 5886.34, 0.00312541/step Wall: 5886.34, 0.00312541/step, 2.74446 hours remaining, 232.531250 MB of memory in use. ENERGY: 1838800 4096.5916 20469.4933 14496.9995 229.5045 -203149.7549 2616.4766 0.0000 0.0000 51670.0132 -109570.6762 296.9483 -161240.6894 -109215.4108 299.0994 57.1344 79.3470 760607.2951 20.8933 20.6266 PRESSURE: 1839000 -259.861 -139.603 76.6286 -139.603 -230.113 -98.9059 76.6288 -98.9055 -211.079 GPRESSURE: 1839000 -237.639 -124.854 104.759 -193.78 -159.789 -88.2278 88.2838 -120.381 -198.346 PRESSAVG: 1839000 -15.6237 -55.2379 -1.78838 -55.2379 6.09089 2.60297 -1.78841 2.60294 7.35868 GPRESSAVG: 1839000 -15.9625 -56.3077 -2.19988 -55 6.50279 2.66142 -2.26713 2.90898 7.30388 TIMING: 1839000 CPU: 5886.97, 0.00313716/step Wall: 5886.97, 0.00313716/step, 2.7546 hours remaining, 232.531250 MB of memory in use. ENERGY: 1839000 3999.9323 20322.5771 14535.5986 241.7564 -202775.6432 2076.7418 0.0000 0.0000 51986.7607 -109612.2762 298.7686 -161599.0369 -109245.4710 298.4443 -233.6843 -198.5911 762398.4292 -0.7247 -0.7186 PRESSURE: 1839200 -100.046 -187.238 21.8021 -187.238 -42.2966 160.511 21.8021 160.512 155.258 GPRESSURE: 1839200 -96.1116 -109.612 95.5959 -114.503 -11.277 198.215 98.1783 95.1425 204.655 PRESSAVG: 1839200 -11.0599 -46.1812 -36.2215 -46.1813 -20.591 -8.26949 -36.2215 -8.26951 -5.96385 GPRESSAVG: 1839200 -10.0301 -44.8972 -35.2058 -46.4566 -21.4027 -7.64 -34.733 -11.0747 -5.69489 TIMING: 1839200 CPU: 5887.6, 0.0031254/step Wall: 5887.6, 0.0031254/step, 2.7441 hours remaining, 232.531250 MB of memory in use. ENERGY: 1839200 4011.2804 20504.2810 14499.9051 235.2151 -203277.6076 2435.9805 0.0000 0.0000 51833.7896 -109757.1559 297.8895 -161590.9455 -109405.2283 298.4465 4.3054 32.4223 761449.2917 -12.5383 -12.3759 PRESSURE: 1839400 157.337 59.6111 41.5026 59.6105 134.224 -284.594 41.5038 -284.593 -147.261 GPRESSURE: 1839400 186.723 76.9755 8.68799 -21.0738 156.468 -284.517 -0.567005 -279.854 -126.445 PRESSAVG: 1839400 23.0657 -22.0379 12.1853 -22.038 -33.0852 34.9955 12.1854 34.9955 -1.81088 GPRESSAVG: 1839400 22.909 -24.2137 11.7229 -21.6275 -32.9984 35.1945 11.2911 36.1834 -1.49334 TIMING: 1839400 CPU: 5888.23, 0.00314849/step Wall: 5888.23, 0.00314849/step, 2.7642 hours remaining, 232.531250 MB of memory in use. ENERGY: 1839400 4049.3420 20545.4503 14553.3586 252.9850 -203648.1732 2851.3867 0.0000 0.0000 51889.1216 -109506.5290 298.2075 -161395.6506 -109155.9504 299.0008 48.1000 72.2484 762854.5184 -3.9435 -3.8609 PRESSURE: 1839600 298.27 108.468 227.833 108.469 202.028 -205.734 227.832 -205.734 -295.507 GPRESSURE: 1839600 322.706 57.8553 234.469 96.3587 203.884 -113.11 163.788 -178.27 -251.938 PRESSAVG: 1839600 -38.5256 29.0836 28.6636 29.0837 -2.94461 -12.3496 28.6637 -12.3497 13.0685 GPRESSAVG: 1839600 -38.6404 29.3236 28.3675 29.6356 -2.45673 -12.179 26.2938 -15.4644 12.9668 TIMING: 1839600 CPU: 5888.86, 0.00314676/step Wall: 5888.86, 0.00314676/step, 2.76251 hours remaining, 232.531250 MB of memory in use. ENERGY: 1839600 4012.1718 20419.9190 14546.6626 238.7186 -203375.5863 2521.9387 0.0000 0.0000 51850.1450 -109786.0305 297.9835 -161636.1755 -109418.3979 298.4819 68.2636 91.5507 761086.7585 -9.4672 -9.3768 PRESSURE: 1839800 89.2667 -20.3648 -57.4656 -20.365 177.726 279.452 -57.4661 279.452 56.8649 GPRESSURE: 1839800 207.548 -71.7871 -71.0545 -150.836 163.654 277.765 -40.7004 165.16 65.0405 PRESSAVG: 1839800 45.8055 -25.5764 24.0676 -25.5764 1.31928 11.4951 24.0675 11.4951 -4.83784 GPRESSAVG: 1839800 46.3843 -24.9248 25.3017 -26.6212 1.331 11.977 25.2932 14.7336 -5.40229 TIMING: 1839800 CPU: 5889.48, 0.00313749/step Wall: 5889.48, 0.00313749/step, 2.75419 hours remaining, 232.531250 MB of memory in use. ENERGY: 1839800 3948.0965 20359.2635 14495.6781 219.2780 -203499.4402 2819.0024 0.0000 0.0000 51880.1204 -109778.0014 298.1558 -161658.1218 -109425.8166 298.4100 107.9524 145.4141 761827.2458 14.0956 14.1043 PRESSURE: 1840000 376.449 52.692 -252.884 52.6923 225.359 -39.9694 -252.882 -39.9685 -115.982 GPRESSURE: 1840000 473.708 5.75975 -259.451 35.0717 226.335 -40.0745 -234.387 -54.8531 -109.478 PRESSAVG: 1840000 47.7271 -23.2537 -62.525 -23.2538 -44.178 43.7794 -62.525 43.7793 1.83239 GPRESSAVG: 1840000 47.4997 -22.4349 -64.2256 -23.8839 -45.5829 43.1385 -60.0869 43.5844 3.4254 TIMING: 1840000 CPU: 5890.12, 0.0031581/step Wall: 5890.12, 0.0031581/step, 2.77211 hours remaining, 232.531250 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: 1840000 4025.6817 20333.1609 14525.7703 246.4939 -203789.0182 3042.7594 0.0000 0.0000 52008.0483 -109607.1037 298.8910 -161615.1520 -109246.5095 298.3434 161.9422 196.8550 761347.0398 1.7938 1.7807 PRESSURE: 1840200 -192.701 -414.914 -136.141 -414.914 252.159 206.872 -136.14 206.871 146.479 GPRESSURE: 1840200 -114.15 -264.632 -120.282 -523.537 243.468 247.612 -123.782 219.048 179.698 PRESSAVG: 1840200 29.9993 -44.8437 -48.7793 -44.8437 -89.9123 -12.3751 -48.7793 -12.3751 7.31145 GPRESSAVG: 1840200 30.5723 -44.2478 -47.6551 -45.938 -89.1629 -11.6888 -50.8686 -14.5913 6.06203 TIMING: 1840200 CPU: 5890.75, 0.00316309/step Wall: 5890.75, 0.00316309/step, 2.77631 hours remaining, 232.531250 MB of memory in use. ENERGY: 1840200 3960.6237 20441.0887 14550.2499 240.2260 -203406.3952 2730.1194 0.0000 0.0000 51874.4802 -109609.6073 298.1234 -161484.0875 -109252.6842 298.5124 68.6455 103.0052 760795.8586 -17.5338 -17.5095 LDB: ============= START OF LOAD BALANCING ============== 5903.17 LDB: ============== END OF LOAD BALANCING =============== 5903.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5903.17 LDB: ============= START OF LOAD BALANCING ============== 5903.49 LDB: Largest compute 7033 load 0.035585 is 18.2% of average load 0.195325 LDB: Average compute 0.004416 is 2.3% of average load 0.195325 LDB: TIME 5903.49 LOAD: AVG 0.195325 MAX 0.211901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.762 MB LDB: TIME 5903.49 LOAD: AVG 0.195325 MAX 0.211901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.766 MB LDB: TIME 5903.49 LOAD: AVG 0.195325 MAX 0.211901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.766 MB LDB: ============== END OF LOAD BALANCING =============== 5903.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5903.5 PRESSURE: 1840400 29.173 151.322 -44.4376 151.323 -22.0274 -166.785 -44.4371 -166.783 15.0952 GPRESSURE: 1840400 -18.2022 175.515 -38.4536 204.928 39.1477 -125.968 -6.95752 -160.09 89.7203 PRESSAVG: 1840400 42.2197 -17.9237 -3.46574 -17.9237 -27.1252 -32.1375 -3.46579 -32.1375 -15.8229 GPRESSAVG: 1840400 40.8596 -19.3651 -3.52092 -16.6777 -26.5975 -33.6247 -4.59425 -29.606 -15.0125 TIMING: 1840400 CPU: 5891.4, 0.00323391/step Wall: 5891.4, 0.00323391/step, 2.8383 hours remaining, 231.570312 MB of memory in use. ENERGY: 1840400 4062.4862 20653.0673 14431.3800 240.6034 -203377.7046 2588.5397 0.0000 0.0000 51949.5135 -109452.1146 298.5546 -161401.6281 -109093.5085 298.7583 7.4136 36.8886 760682.5327 -0.2428 -0.2501 PRESSURE: 1840600 -477.615 -60.0506 -155.182 -60.0506 -12.7494 170.666 -155.182 170.667 155.425 GPRESSURE: 1840600 -459.185 -79.3426 -106.247 -124.622 87.0315 233.937 -112.507 243.679 117.112 PRESSAVG: 1840600 24.9763 -49.1994 42.5744 -49.1994 -36.1945 51.821 42.5744 51.821 -3.6601 GPRESSAVG: 1840600 25.9683 -49.2647 42.9536 -48.3256 -36.4253 53.6571 42.6038 51.448 -4.86087 TIMING: 1840600 CPU: 5892.03, 0.00315105/step Wall: 5892.03, 0.00315105/step, 2.7654 hours remaining, 231.570312 MB of memory in use. ENERGY: 1840600 3839.6752 20421.7915 14472.0156 238.9687 -202782.0189 1978.8038 0.0000 0.0000 52350.9046 -109479.8594 300.8614 -161830.7641 -109100.0398 299.1234 -111.6466 -85.0137 761516.7706 -4.9595 -5.1060 PRESSURE: 1840800 -20.7913 -172.69 18.7596 -172.69 -23.5904 -38.9301 18.7592 -38.9303 -81.3792 GPRESSURE: 1840800 112.403 -63.221 -34.9874 -142.252 -116.234 -107.204 21.0049 10.0872 -21.7137 PRESSAVG: 1840800 40.439 7.94227 -2.47378 7.94231 -17.6743 5.32906 -2.47379 5.32899 23.1538 GPRESSAVG: 1840800 41.1636 9.24248 -3.48639 8.35507 -19.518 3.23404 -1.07796 6.43075 24.206 TIMING: 1840800 CPU: 5892.65, 0.00314567/step Wall: 5892.65, 0.00314567/step, 2.7605 hours remaining, 231.570312 MB of memory in use. ENERGY: 1840800 4000.8164 20415.2537 14525.1247 259.9854 -203336.6513 2605.0270 0.0000 0.0000 52020.1144 -109510.3297 298.9603 -161530.4441 -109164.6636 298.8210 -41.9203 -8.5147 761130.3535 15.3062 15.2839 PRESSURE: 1841000 -52.9585 -60.6317 -16.1794 -60.6304 -54.5165 107.866 -16.1794 107.866 -116.28 GPRESSURE: 1841000 -79.9681 -84.6118 -12.9455 -111.741 -20.2635 156.118 29.8759 13.7757 -30.3675 PRESSAVG: 1841000 27.1263 -14.741 24.2096 -14.741 -33.067 13.2151 24.2096 13.2152 8.43742 GPRESSAVG: 1841000 25.3622 -15.6199 23.9989 -16.2212 -31.391 13.5489 23.4446 9.92453 8.15774 TIMING: 1841000 CPU: 5893.28, 0.00313408/step Wall: 5893.28, 0.00313408/step, 2.75016 hours remaining, 231.570312 MB of memory in use. ENERGY: 1841000 4047.2007 20428.2232 14548.9166 243.0628 -203304.6447 2579.3728 0.0000 0.0000 51977.2850 -109480.5836 298.7142 -161457.8686 -109127.8225 298.4973 -74.5849 -43.5330 761187.9759 0.8322 0.7097 PRESSURE: 1841200 -29.1532 -237.468 35.0233 -237.467 75.3157 -14.659 35.0232 -14.6596 343.34 GPRESSURE: 1841200 105.015 -172.902 26.2851 -188.146 51.8775 63.7497 41.436 103.089 347.418 PRESSAVG: 1841200 33.4588 -41.5109 9.48 -41.5108 -25.1172 34.0372 9.48006 34.0372 3.85632 GPRESSAVG: 1841200 33.8078 -41.3116 10.892 -41.609 -25.2273 34.3429 9.62127 36.091 3.81228 TIMING: 1841200 CPU: 5893.91, 0.00314734/step Wall: 5893.91, 0.00314734/step, 2.76162 hours remaining, 231.570312 MB of memory in use. ENERGY: 1841200 3958.3941 20425.5109 14515.7045 242.7349 -203361.9224 2585.0822 0.0000 0.0000 52085.7006 -109548.7952 299.3372 -161634.4958 -109188.4455 298.7057 129.8342 168.1035 759824.4396 4.0660 4.1309 PRESSURE: 1841400 214.31 -121.691 -25.9969 -121.691 127.002 17.5617 -25.9967 17.562 -352.321 GPRESSURE: 1841400 298.28 -154.069 45.1838 -60.3152 99.7352 -10.8193 -64.0724 67.5103 -337.289 PRESSAVG: 1841400 35.0942 -36.1236 -37.6819 -36.1236 -12.2974 -6.23778 -37.6818 -6.23777 -6.79248 GPRESSAVG: 1841400 36.2677 -36.9148 -37.2848 -36.3506 -13.0912 -4.18305 -36.6412 -7.24889 -7.09002 TIMING: 1841400 CPU: 5894.54, 0.00314511/step Wall: 5894.54, 0.00314511/step, 2.75948 hours remaining, 231.570312 MB of memory in use. ENERGY: 1841400 3972.3157 20357.6450 14586.7686 238.6582 -203380.9257 2590.6089 0.0000 0.0000 52263.0948 -109371.8345 300.3567 -161634.9293 -109006.9636 298.8035 -3.6699 20.2421 758007.2777 5.3348 5.3622 PRESSURE: 1841600 -395.498 242.303 -52.2975 242.302 -344.618 -85.957 -52.2978 -85.9561 -598.105 GPRESSURE: 1841600 -425.557 250.101 -72.5968 241.045 -228.624 -90.8883 143.427 -16.5478 -603.912 PRESSAVG: 1841600 -34.5389 -2.44404 6.06508 -2.44399 17.7617 -40.813 6.06506 -40.813 16.5196 GPRESSAVG: 1841600 -34.8596 -2.08575 5.312 -1.83787 18.1848 -41.7745 5.0545 -39.8535 16.8809 TIMING: 1841600 CPU: 5895.16, 0.00312489/step Wall: 5895.16, 0.00312489/step, 2.74157 hours remaining, 231.570312 MB of memory in use. ENERGY: 1841600 3965.1383 20456.0969 14577.6452 248.7712 -202850.5081 2168.2580 0.0000 0.0000 52084.5543 -109350.0443 299.3306 -161434.5986 -108977.4809 298.9945 -446.0737 -419.3644 760562.3926 -0.0859 0.0687 PRESSURE: 1841800 -64.1302 -281.213 -94.9755 -281.213 311.902 -54.9737 -94.9773 -54.9741 -12.0924 GPRESSURE: 1841800 -112.273 -308.535 -60.1593 -254.555 350.196 -70.2133 -21.4797 -160.449 95.0703 PRESSAVG: 1841800 4.77436 -8.73816 43.7672 -8.73811 -37.6708 33.0726 43.7672 33.0726 -31.0731 GPRESSAVG: 1841800 3.63387 -8.75101 43.7136 -10.549 -37.5716 31.1615 47.5558 33.6106 -29.9636 TIMING: 1841800 CPU: 5895.79, 0.0031272/step Wall: 5895.79, 0.0031272/step, 2.74342 hours remaining, 231.570312 MB of memory in use. ENERGY: 1841800 4004.6339 20653.7500 14565.9435 242.6617 -203482.9218 2582.8593 0.0000 0.0000 52151.9860 -109281.0873 299.7182 -161433.0734 -108924.1751 299.3987 78.5599 110.9978 760728.9739 -21.3232 -21.3005 PRESSURE: 1842000 113.173 -226.684 172.521 -226.684 -314.975 -8.94587 172.521 -8.94629 98.4943 GPRESSURE: 1842000 177.083 -137.09 163.828 -183.621 -277.383 -77.9994 70.0666 17.3678 95.2908 PRESSAVG: 1842000 76.7347 -28.6894 -34.5402 -28.6894 -27.2559 14.1338 -34.5402 14.1338 15.6785 GPRESSAVG: 1842000 77.6634 -27.8811 -35.0596 -26.3908 -26.0853 14.1309 -38.674 14.5365 14.1138 TIMING: 1842000 CPU: 5896.42, 0.00314483/step Wall: 5896.42, 0.00314483/step, 2.75871 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1842000 3938.2832 20653.5698 14620.7512 268.4125 -203102.6159 2391.2255 0.0000 0.0000 51869.8235 -109360.5502 298.0966 -161230.3737 -109004.0474 299.8752 -34.4359 -1.6699 759084.0909 21.7191 21.8973 PRESSURE: 1842200 -360.723 -78.3357 -72.2833 -78.3357 32.8294 -269.641 -72.2838 -269.641 21.7982 GPRESSURE: 1842200 -369.506 -1.41642 -53.3172 -159.992 40.0512 -334.337 -5.66327 -249.005 97.983 PRESSAVG: 1842200 31.9396 -65.8356 -24.7864 -65.8356 -58.3717 6.86916 -24.7864 6.86913 9.81759 GPRESSAVG: 1842200 31.5565 -64.1117 -25.292 -68.8965 -58.3837 7.80256 -22.4099 6.95366 9.83739 TIMING: 1842200 CPU: 5897.05, 0.00314198/step Wall: 5897.05, 0.00314198/step, 2.75604 hours remaining, 231.570312 MB of memory in use. ENERGY: 1842200 3953.0012 20489.2351 14592.2393 240.2447 -203328.2034 2485.5341 0.0000 0.0000 52150.1178 -109417.8312 299.7074 -161567.9490 -109054.9204 299.1614 -102.0317 -77.1571 759506.8506 -5.5381 -5.6633 PRESSURE: 1842400 25.533 169.946 -89.1418 169.946 -37.123 137.564 -89.1421 137.564 45.9028 GPRESSURE: 1842400 44.7201 145.016 -63.8864 101.422 14.5288 76.3823 -12.4428 21.3663 61.5374 PRESSAVG: 1842400 66.5384 -3.99034 -59.8607 -3.99037 -33.1661 -64.4496 -59.8608 -64.4496 -5.15809 GPRESSAVG: 1842400 66.3705 -6.05212 -59.1432 -3.17305 -33.0515 -64.8947 -59.9435 -64.9773 -5.67148 TIMING: 1842400 CPU: 5897.67, 0.00312971/step Wall: 5897.67, 0.00312971/step, 2.74511 hours remaining, 231.570312 MB of memory in use. ENERGY: 1842400 3971.6444 20417.8032 14590.5189 263.0293 -202770.1713 2189.7471 0.0000 0.0000 51863.1102 -109474.3182 298.0580 -161337.4284 -109108.6781 299.1490 11.4376 40.2621 759591.6512 9.4048 9.2158 PRESSURE: 1842600 -233.042 -3.07945 114.157 -3.07826 -147.206 -74.2422 114.156 -74.2426 -156.758 GPRESSURE: 1842600 -119.475 28.1272 175.041 21.5574 -124.571 -181.579 61.0394 44.8051 -204.531 PRESSAVG: 1842600 40.8775 -18.9349 3.75012 -18.9349 -48.1389 -36.6468 3.75015 -36.6468 4.67815 GPRESSAVG: 1842600 41.0711 -20.0867 5.73484 -18.4829 -47.4713 -35.9295 0.951007 -37.0181 4.17701 TIMING: 1842600 CPU: 5898.3, 0.00314751/step Wall: 5898.3, 0.00314751/step, 2.76054 hours remaining, 231.570312 MB of memory in use. ENERGY: 1842600 4020.4397 20533.3806 14575.4534 247.3520 -203482.9957 2332.4835 0.0000 0.0000 52234.1019 -109539.7844 300.1901 -161773.8864 -109172.8965 298.9655 -179.0023 -149.5256 759724.1860 -0.8611 -0.7411 PRESSURE: 1842800 -311.384 175.9 -68.0319 175.9 179.379 18.2238 -68.0314 18.222 -185.294 GPRESSURE: 1842800 -257.173 49.4424 -60.4945 72.0324 123.737 52.1148 -189.249 33.5357 -96.5426 PRESSAVG: 1842800 81.3831 27.0447 -21.3218 27.0446 -37.0141 5.41456 -21.3218 5.41455 12.1834 GPRESSAVG: 1842800 81.2807 26.8745 -22.4106 25.9257 -38.969 6.40848 -21.6648 4.63028 13.9132 TIMING: 1842800 CPU: 5898.93, 0.00313984/step Wall: 5898.93, 0.00313984/step, 2.75364 hours remaining, 231.570312 MB of memory in use. ENERGY: 1842800 3953.9893 20356.7061 14545.7593 237.5317 -203397.7661 2484.8975 0.0000 0.0000 52149.9931 -109668.8890 299.7067 -161818.8821 -109312.7463 299.1813 -105.7661 -76.6597 759483.4856 18.8508 18.7417 PRESSURE: 1843000 96.7663 23.6886 -39.2865 23.6882 23.5316 -74.1966 -39.2869 -74.1962 141.775 GPRESSURE: 1843000 75.0046 23.7807 26.8229 8.97375 153.1 -27.7113 -6.5935 -46.3459 132.703 PRESSAVG: 1843000 -24.5586 -26.55 18.7796 -26.55 -17.4729 -9.32661 18.7796 -9.32669 6.29834 GPRESSAVG: 1843000 -26.0082 -25.7785 18.4135 -26.0612 -15.9847 -8.79187 20.9628 -9.91503 6.78738 TIMING: 1843000 CPU: 5899.56, 0.00316597/step Wall: 5899.56, 0.00316597/step, 2.77638 hours remaining, 231.570312 MB of memory in use. ENERGY: 1843000 3927.9180 20497.8528 14511.7236 231.3229 -203434.5754 2525.6255 0.0000 0.0000 51943.8323 -109796.3003 298.5219 -161740.1326 -109444.1435 298.8056 87.3577 120.2692 759305.8810 -11.9111 -11.7352 PRESSURE: 1843200 17.3449 -113.373 80.1303 -113.373 -21.0946 -95.64 80.1304 -95.6409 371.771 GPRESSURE: 1843200 -31.2035 -13.1658 -2.70499 -154.657 75.8663 -72.2736 58.6279 -206.224 396.732 PRESSAVG: 1843200 24.2371 -51.3183 5.94232 -51.3184 6.58008 -6.85763 5.94229 -6.85774 3.17357 GPRESSAVG: 1843200 23.6775 -50.4762 6.2485 -49.5898 7.22901 -7.21616 3.57943 -5.79268 3.48357 TIMING: 1843200 CPU: 5900.19, 0.003142/step Wall: 5900.19, 0.003142/step, 2.75518 hours remaining, 231.570312 MB of memory in use. ENERGY: 1843200 4058.7352 20541.9389 14571.7369 243.6802 -203681.7558 2679.2634 0.0000 0.0000 51852.9014 -109733.4998 297.9993 -161586.4013 -109375.9809 298.8007 122.6738 147.1317 758588.0567 11.3303 11.4633 PRESSURE: 1843400 158.041 199.605 -4.00806 199.605 102.67 -278.84 -4.00762 -278.841 -157.272 GPRESSURE: 1843400 138.227 248.628 55.7726 167.839 146.959 -174.496 -20.245 -208.545 -77.3144 PRESSAVG: 1843400 29.4556 -15.6378 -47.3556 -15.6378 4.56102 -16.5667 -47.3556 -16.5666 11.4954 GPRESSAVG: 1843400 29.0307 -16.2702 -48.8831 -15.3896 5.42733 -15.6104 -46.333 -17.7333 10.9682 TIMING: 1843400 CPU: 5900.83, 0.00317209/step Wall: 5900.83, 0.00317209/step, 2.78139 hours remaining, 231.570312 MB of memory in use. ENERGY: 1843400 3997.0176 20490.2534 14596.5794 244.8827 -203667.4593 2515.7203 0.0000 0.0000 52149.2619 -109673.7440 299.7025 -161823.0059 -109309.3795 298.9423 34.4797 69.2907 757956.0610 15.1707 15.1421 PRESSURE: 1843600 214.367 -36.862 12.1591 -36.8626 -337.195 229.906 12.1586 229.906 270.273 GPRESSURE: 1843600 174.201 -31.1039 -56.1078 9.71863 -233.773 250.726 127.808 290.847 316.571 PRESSAVG: 1843600 15.7021 -3.79575 -41.7834 -3.79581 -9.92287 -36.8923 -41.7834 -36.8923 -37.5055 GPRESSAVG: 1843600 16.4638 -3.50601 -39.8662 -7.07399 -11.0307 -38.9714 -40.3166 -35.5302 -36.8944 TIMING: 1843600 CPU: 5901.46, 0.0031673/step Wall: 5901.46, 0.0031673/step, 2.77702 hours remaining, 231.570312 MB of memory in use. ENERGY: 1843600 4007.2164 20720.4847 14589.8555 256.3202 -203602.5997 2518.5183 0.0000 0.0000 51758.9572 -109751.2475 297.4594 -161510.2047 -109406.1890 298.9335 49.1480 85.6666 758743.4080 -10.5754 -10.4871 PRESSURE: 1843800 -180.343 -90.3469 -55.6002 -90.3469 -249.344 -30.3531 -55.5999 -30.3538 -280.69 GPRESSURE: 1843800 -104.542 18.1147 60.3343 -57.6918 -194.363 -7.77023 -122.465 -98.5272 -320.505 PRESSAVG: 1843800 2.89944 9.93157 16.2646 9.93152 16.9209 -7.27149 16.2646 -7.27148 12.2502 GPRESSAVG: 1843800 4.02896 9.88088 16.9235 12.0823 17.2853 -6.4663 14.3973 -8.41801 11.1578 TIMING: 1843800 CPU: 5902.09, 0.00314836/step Wall: 5902.09, 0.00314836/step, 2.76024 hours remaining, 231.570312 MB of memory in use. ENERGY: 1843800 4044.5440 20470.5660 14612.0075 223.2671 -203708.6236 2551.9587 0.0000 0.0000 52154.2066 -109652.0737 299.7309 -161806.2803 -109285.5827 299.0493 -236.7924 -206.4699 759275.2049 10.6902 10.8240 PRESSURE: 1844000 33.9262 -68.9775 -129.715 -68.977 114.524 -96.2042 -129.715 -96.2044 60.5685 GPRESSURE: 1844000 46.2671 -122.463 -98.3577 -105.842 230.287 -168.822 -52.2182 -86.6199 6.28972 PRESSAVG: 1844000 20.7131 19.5768 -64.3413 19.5769 -18.1558 30.5665 -64.3414 30.5665 20.7059 GPRESSAVG: 1844000 20.9911 19.9274 -65.2004 17.5813 -19.3917 28.3613 -63.3982 31.5874 20.8373 TIMING: 1844000 CPU: 5902.72, 0.00317424/step Wall: 5902.72, 0.00317424/step, 2.78275 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1844000 4068.4577 20613.7416 14561.9109 246.5314 -203290.0344 2393.9500 0.0000 0.0000 52005.9356 -109399.5072 298.8788 -161405.4428 -109035.1529 299.2232 69.6728 94.2812 758192.8906 7.7544 7.4789 PRESSURE: 1844200 45.0867 89.0093 41.3291 89.0089 18.8727 53.1934 41.3294 53.1934 369.495 GPRESSURE: 1844200 100.335 71.6629 17.425 43.8738 43.4122 58.2967 -52.1813 41.4267 395.667 PRESSAVG: 1844200 31.0168 -20.3516 -56.3549 -20.3516 37.7014 -19.8879 -56.355 -19.8879 1.29682 GPRESSAVG: 1844200 29.4612 -19.6483 -56.1198 -20.3474 37.5777 -17.6126 -58.6266 -19.9078 2.99703 TIMING: 1844200 CPU: 5903.36, 0.00316248/step Wall: 5903.36, 0.00316248/step, 2.77226 hours remaining, 231.570312 MB of memory in use. ENERGY: 1844200 4070.8624 20587.4827 14470.6009 238.9984 -203462.3398 2615.6877 0.0000 0.0000 51996.6508 -109482.0569 298.8255 -161478.7077 -109130.1966 299.2949 144.4848 179.8047 761072.1705 23.3383 23.3453 LDB: ============= START OF LOAD BALANCING ============== 5915.78 LDB: ============== END OF LOAD BALANCING =============== 5915.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5915.78 LDB: ============= START OF LOAD BALANCING ============== 5916.1 LDB: Largest compute 7033 load 0.038318 is 19.6% of average load 0.195412 LDB: Average compute 0.004403 is 2.3% of average load 0.195412 LDB: TIME 5916.1 LOAD: AVG 0.195412 MAX 0.21164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.105 MB LDB: TIME 5916.1 LOAD: AVG 0.195412 MAX 0.21164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 5916.1 LOAD: AVG 0.195412 MAX 0.21164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 5916.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5916.11 PRESSURE: 1844400 81.1883 21.8612 -303.166 21.8606 -256.529 -14.8128 -303.166 -14.8128 -312.402 GPRESSURE: 1844400 57.812 -13.9016 -261.959 -20.5691 -122.114 14.5701 -97.7546 -124.016 -305.26 PRESSAVG: 1844400 27.7867 -13.5207 -12.5922 -13.5206 -13.1822 14.8035 -12.5922 14.8035 -6.14742 GPRESSAVG: 1844400 27.9119 -13.6737 -12.4766 -12.8121 -11.8612 14.0856 -10.2325 13.3003 -7.75895 TIMING: 1844400 CPU: 5904.01, 0.0032406/step Wall: 5904.01, 0.0032406/step, 2.84056 hours remaining, 231.425781 MB of memory in use. ENERGY: 1844400 3979.9068 20464.5027 14593.8919 246.0645 -203390.3444 2410.3144 0.0000 0.0000 52306.2724 -109389.3917 300.6049 -161695.6641 -109034.4108 298.7675 -162.5807 -123.1872 760223.7241 2.8190 2.7639 PRESSURE: 1844600 -134.631 -120.748 -21.2142 -120.748 439.771 145.659 -21.2149 145.659 111.314 GPRESSURE: 1844600 -44.4311 -129.252 -44.0857 -149.477 388.783 93.4372 -66.2104 3.71113 158.766 PRESSAVG: 1844600 -40.0082 -6.44268 -3.94945 -6.44264 -8.74514 64.7932 -3.94937 64.7931 -11.3382 GPRESSAVG: 1844600 -40.4969 -8.5957 -6.01978 -7.58884 -9.344 65.2394 -4.24337 65.1849 -10.8585 TIMING: 1844600 CPU: 5904.65, 0.00320731/step Wall: 5904.65, 0.00320731/step, 2.81121 hours remaining, 231.628906 MB of memory in use. ENERGY: 1844600 4025.2845 20531.9373 14573.7895 229.7482 -203409.7861 2612.5157 0.0000 0.0000 52029.8940 -109406.6168 299.0165 -161436.5109 -109041.7733 299.3151 138.8178 167.7058 760711.3647 -20.0305 -20.2331 PRESSURE: 1844800 -10.6233 163.731 77.4238 163.73 -124.49 -383.125 77.4239 -383.125 114.298 GPRESSURE: 1844800 -21.0071 26.4081 60.6368 193.546 -15.4876 -387.112 35.9649 -242.349 101.561 PRESSAVG: 1844800 -29.0904 -15.0658 32.4457 -15.0658 63.5925 41.6838 32.4457 41.6838 -1.01719 GPRESSAVG: 1844800 -27.7029 -13.363 35.1475 -13.5389 63.0205 40.8597 31.6781 42.468 -2.29975 TIMING: 1844800 CPU: 5905.29, 0.00320827/step Wall: 5905.29, 0.00320827/step, 2.81187 hours remaining, 231.628906 MB of memory in use. ENERGY: 1844800 3960.2256 20584.2952 14585.3158 223.3857 -203466.1622 2545.3835 0.0000 0.0000 52065.6514 -109501.9050 299.2220 -161567.5564 -109141.4748 299.6219 -6.9385 21.6888 760207.2368 11.1616 11.0060 PRESSURE: 1845000 -426.682 198.459 -127.731 198.46 -87.8659 86.1264 -127.731 86.128 -299.267 GPRESSURE: 1845000 -317.109 199.804 -135.694 259.907 -146.433 64.4414 -214.613 106.786 -263.821 PRESSAVG: 1845000 3.35895 2.47035 -1.60846 2.47031 22.507 43.3639 -1.60838 43.364 18.6144 GPRESSAVG: 1845000 3.65734 2.42396 -2.76976 2.72703 22.6388 43.9636 -0.894978 43.4273 17.8984 TIMING: 1845000 CPU: 5905.92, 0.00317638/step Wall: 5905.92, 0.00317638/step, 2.78374 hours remaining, 231.628906 MB of memory in use. ENERGY: 1845000 3972.3815 20506.5152 14507.4245 256.3265 -203512.6496 2423.6976 0.0000 0.0000 51900.0305 -109946.2738 298.2702 -161846.3043 -109580.7816 298.8013 -271.2717 -242.4546 760087.8287 14.8268 14.7315 PRESSURE: 1845200 -46.5377 -102.937 -19.185 -102.937 106.442 140.086 -19.1837 140.086 -217.903 GPRESSURE: 1845200 -41.0657 -179.551 -52.5086 -133.154 188.536 138.496 -39.4968 175.402 -230.213 PRESSAVG: 1845200 9.71393 -49.5027 54.7874 -49.5027 -29.7655 -31.9398 54.7874 -31.9398 16.4386 GPRESSAVG: 1845200 9.55935 -50.803 54.6688 -47.4623 -30.7795 -33.3185 53.2407 -33.2139 17.98 TIMING: 1845200 CPU: 5906.56, 0.0031737/step Wall: 5906.56, 0.0031737/step, 2.78122 hours remaining, 231.628906 MB of memory in use. ENERGY: 1845200 3959.3133 20488.2075 14433.9689 240.3455 -203421.5653 2353.2118 0.0000 0.0000 51817.1328 -110129.3855 297.7938 -161946.5184 -109756.8683 298.4350 -52.6662 -27.5810 757408.4965 -1.2043 -1.0801 PRESSURE: 1845400 21.0376 98.2188 30.1086 98.2188 -142.423 171.802 30.1092 171.803 -16.3694 GPRESSURE: 1845400 90.2741 -69.5282 54.2646 265.251 -120.172 103.751 16.3621 282.442 -19.3325 PRESSAVG: 1845400 23.2194 -10.2069 15.6754 -10.2069 -65.6836 20.6924 15.6755 20.6924 -14.7413 GPRESSAVG: 1845400 21.0625 -12.6763 17.4175 -11.8859 -64.4157 21.3859 15.2741 21.7065 -13.7624 TIMING: 1845400 CPU: 5907.19, 0.00317874/step Wall: 5907.19, 0.00317874/step, 2.78546 hours remaining, 231.628906 MB of memory in use. ENERGY: 1845400 3949.7536 20548.9577 14461.7467 235.4849 -203457.1402 2213.1341 0.0000 0.0000 52039.3074 -110008.7557 299.0706 -162048.0631 -109650.3241 298.2397 -45.9183 -16.4101 760165.0416 -19.0685 -19.0385 PRESSURE: 1845600 88.9786 -277.55 201.294 -277.55 -93.4319 101.456 201.295 101.456 -10.7976 GPRESSURE: 1845600 100.047 -166.05 213.236 -223.193 -16.5578 35.7796 171.434 64.3624 -1.66428 PRESSAVG: 1845600 24.2614 -35.8567 0.883581 -35.8567 -48.4678 -42.7622 0.883642 -42.7622 10.458 GPRESSAVG: 1845600 25.7713 -33.6214 -1.75751 -34.9177 -48.4961 -41.5516 2.17225 -42.2815 8.91394 TIMING: 1845600 CPU: 5907.83, 0.00320039/step Wall: 5907.83, 0.00320039/step, 2.80426 hours remaining, 231.628906 MB of memory in use. ENERGY: 1845600 3994.9190 20406.8270 14556.5299 238.8395 -203933.6641 2768.9133 0.0000 0.0000 52210.8830 -109756.7524 300.0567 -161967.6354 -109385.1782 298.8224 -5.0837 27.2749 759422.3054 -4.5828 -4.6036 PRESSURE: 1845800 -419.179 -30.9995 39.7698 -30.9993 -197.299 -237.23 39.7696 -237.23 -688.452 GPRESSURE: 1845800 -292.095 -51.4976 -15.8156 -39.9879 -215.053 -277.86 -6.90997 -152.464 -727.439 PRESSAVG: 1845800 -0.510657 -7.12131 9.75248 -7.12133 -19.7368 -14.2163 9.75252 -14.2163 -3.01532 GPRESSAVG: 1845800 0.535633 -8.08982 8.8821 -8.04723 -21.0391 -14.7639 10.5026 -15.6235 -3.59214 TIMING: 1845800 CPU: 5908.47, 0.00320262/step Wall: 5908.47, 0.00320262/step, 2.80603 hours remaining, 231.628906 MB of memory in use. ENERGY: 1845800 3997.2109 20599.5358 14500.1675 234.1224 -203553.8800 2376.9400 0.0000 0.0000 52054.9670 -109790.9364 299.1606 -161845.9034 -109432.4225 299.1890 -434.9767 -411.5291 760919.8933 -7.7543 -8.0319 PRESSURE: 1846000 -338.979 -197.332 26.7513 -197.33 -280.811 -50.1453 26.752 -50.1455 1.56917 GPRESSURE: 1846000 -221.457 -146.917 -14.5148 -181.002 -224.767 -57.6821 56.1833 -115.521 -72.9015 PRESSAVG: 1846000 -0.989942 -6.30489 -4.34361 -6.30487 -14.3341 -35.5584 -4.34361 -35.5584 -12.9939 GPRESSAVG: 1846000 -1.89634 -5.31007 -2.72521 -6.3576 -14.1938 -37.1023 -5.0948 -35.0715 -12.0461 TIMING: 1846000 CPU: 5909.11, 0.00318895/step Wall: 5909.11, 0.00318895/step, 2.79387 hours remaining, 231.628906 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: 1846000 3975.4133 20554.9053 14454.6807 245.3327 -203877.8626 2625.6823 0.0000 0.0000 52156.9477 -109864.9007 299.7467 -162021.8483 -109504.9405 299.0444 -206.0736 -173.0416 760614.0191 -9.4393 -9.3788 PRESSURE: 1846200 -231.131 -207.025 -179.504 -207.025 -475.635 -84.887 -179.504 -84.8868 584.33 GPRESSURE: 1846200 -146.758 -216.702 -110.469 -191.418 -453.222 -16.4479 -134.992 -3.00242 565.137 PRESSAVG: 1846200 -1.99737 -43.2921 -8.38814 -43.2921 -6.61998 -58.0866 -8.38821 -58.0867 46.6381 GPRESSAVG: 1846200 -2.19434 -43.3499 -7.61411 -44.3098 -6.10784 -57.6909 -8.8161 -57.4396 46.2613 TIMING: 1846200 CPU: 5909.75, 0.00318337/step Wall: 5909.75, 0.00318337/step, 2.78881 hours remaining, 231.628906 MB of memory in use. ENERGY: 1846200 3971.4652 20501.4660 14526.0323 237.5288 -203439.1773 2479.7591 0.0000 0.0000 52063.7949 -109659.1310 299.2113 -161722.9259 -109303.8096 298.9713 -40.8121 -11.6145 760457.7035 12.6736 12.6530 PRESSURE: 1846400 249.619 -118.511 12.6844 -118.511 -264.583 150.849 12.6835 150.85 -197.527 GPRESSURE: 1846400 164.397 55.9666 -4.47744 -164.351 -132.886 97.4259 16.3071 188.899 -166.338 PRESSAVG: 1846400 44.1662 -54.3805 -23.9672 -54.3805 -33.8152 33.5895 -23.9672 33.5894 -14.035 GPRESSAVG: 1846400 43.9876 -52.9625 -24.5099 -53.555 -33.2721 35.3847 -21.3918 31.1065 -14.0522 TIMING: 1846400 CPU: 5910.39, 0.00321177/step Wall: 5910.39, 0.00321177/step, 2.81351 hours remaining, 231.628906 MB of memory in use. ENERGY: 1846400 3974.8926 20490.7449 14515.2934 241.9693 -203649.3211 2625.3523 0.0000 0.0000 52011.5662 -109789.5024 298.9112 -161801.0686 -109425.6746 298.9423 -70.8303 -44.9422 759668.9052 -1.2280 -1.1122 PRESSURE: 1846600 -90.8183 -93.5479 -61.388 -93.5484 -318.317 -175.982 -61.3879 -175.981 -194.055 GPRESSURE: 1846600 -13.8293 -101.085 -42.4667 -41.2774 -347.632 -187.69 -29.5277 -49.0658 -160.355 PRESSAVG: 1846600 41.9402 -51.1495 -12.4631 -51.1494 -28.5629 0.571969 -12.4631 0.571921 -16.2544 GPRESSAVG: 1846600 42.671 -52.7751 -12.9508 -48.734 -29.4919 1.20232 -17.4305 1.5779 -15.6358 TIMING: 1846600 CPU: 5911.03, 0.0031725/step Wall: 5911.03, 0.0031725/step, 2.77893 hours remaining, 231.628906 MB of memory in use. ENERGY: 1846600 4015.2935 20432.3269 14483.3241 257.0317 -203457.6928 2706.9351 0.0000 0.0000 51840.8570 -109721.9245 297.9301 -161562.7815 -109361.9385 298.9919 -201.0636 -173.9387 762464.6582 -0.9590 -0.8189 PRESSURE: 1846800 -138.664 250.598 -34.6353 250.599 29.4222 -41.9699 -34.635 -41.9703 -81.918 GPRESSURE: 1846800 -14.2623 109.905 -95.3174 76.8577 -7.90189 -71.4533 30.1894 85.8814 -69.304 PRESSAVG: 1846800 59.3078 -33.5705 8.10911 -33.5705 -65.2024 -13.9138 8.10908 -13.9138 17.9778 GPRESSAVG: 1846800 58.0839 -33.3679 8.20628 -34.2942 -64.2203 -14.8834 9.78815 -14.4894 18.3726 TIMING: 1846800 CPU: 5911.66, 0.00316119/step Wall: 5911.66, 0.00316119/step, 2.76885 hours remaining, 231.628906 MB of memory in use. ENERGY: 1846800 3960.0540 20423.2068 14599.3646 245.5865 -203286.5371 2458.5767 0.0000 0.0000 51860.8583 -109738.8902 298.0451 -161599.7485 -109378.0131 298.8235 -63.7201 -30.4894 760302.8688 4.0277 4.0788 PRESSURE: 1847000 55.0707 -83.0395 60.9684 -83.0394 112.978 13.2376 60.9688 13.2375 357.182 GPRESSURE: 1847000 53.6381 -178.164 147.864 -86.6992 210.626 -12.0526 -16.579 34.5528 357.085 PRESSAVG: 1847000 17.6557 -17.1448 22.3258 -17.1448 20.6458 27.8927 22.3258 27.8926 15.811 GPRESSAVG: 1847000 18.7934 -16.8736 22.0261 -20.3854 20.5247 27.7837 23.1418 29.2858 14.4405 TIMING: 1847000 CPU: 5912.29, 0.00317775/step Wall: 5912.29, 0.00317776/step, 2.78318 hours remaining, 231.628906 MB of memory in use. ENERGY: 1847000 3955.2020 20435.6332 14551.8243 236.4944 -203156.2713 2436.4728 0.0000 0.0000 51966.7968 -109573.8477 298.6539 -161540.6446 -109213.6782 298.7476 175.0769 207.1162 759717.2875 18.0375 17.9195 PRESSURE: 1847200 -23.9414 120.669 -103.664 120.668 -37.4241 67.3352 -103.664 67.3351 10.2832 GPRESSURE: 1847200 23.5687 69.7713 -162.059 39.6731 2.51083 52.6372 -56.0124 4.07186 16.4144 PRESSAVG: 1847200 -3.64503 -16.5318 -23.2285 -16.5317 -10.7813 39.8001 -23.2284 39.8 0.822982 GPRESSAVG: 1847200 -4.47365 -15.1159 -22.5404 -16.5533 -10.156 40.4531 -24.3385 38.4081 1.15208 TIMING: 1847200 CPU: 5912.93, 0.00317585/step Wall: 5912.93, 0.00317585/step, 2.78134 hours remaining, 231.628906 MB of memory in use. ENERGY: 1847200 3975.7077 20495.3160 14493.3519 237.2850 -203341.7979 2528.8993 0.0000 0.0000 52092.6501 -109518.5879 299.3772 -161611.2380 -109153.6336 299.1153 -17.0275 14.1647 761113.3820 -4.5345 -4.4925 PRESSURE: 1847400 -23.099 55.9227 72.8648 55.9224 -103.879 -71.4476 72.8645 -71.4473 184.033 GPRESSURE: 1847400 133.408 65.3214 42.1194 7.60845 -131.588 -22.2446 62.9784 -20.7862 144.877 PRESSAVG: 1847400 35.0608 13.1244 -22.5472 13.1244 -50.8718 55.1759 -22.5473 55.1759 -30.4986 GPRESSAVG: 1847400 35.1664 12.0792 -22.0357 15.0696 -50.9698 53.4803 -21.8523 57.5025 -30.1805 TIMING: 1847400 CPU: 5913.56, 0.00317339/step Wall: 5913.56, 0.00317339/step, 2.77901 hours remaining, 231.628906 MB of memory in use. ENERGY: 1847400 3962.1779 20471.7556 14561.8672 245.7208 -203138.3769 2501.8298 0.0000 0.0000 52082.0970 -109312.9286 299.3165 -161395.0255 -108952.2968 299.5969 19.0185 48.8990 759678.7534 -15.4365 -15.3280 PRESSURE: 1847600 47.5716 134.571 84.9728 134.572 -81.0412 -109.351 84.972 -109.35 -55.1591 GPRESSURE: 1847600 94.1342 113.239 114.426 -13.036 -101.404 -112.817 39.1185 -23.3031 26.2209 PRESSAVG: 1847600 -36.216 -7.46519 48.3434 -7.46521 -22.5779 -38.3173 48.3434 -38.3173 21.2145 GPRESSAVG: 1847600 -35.3479 -7.72603 47.1151 -6.64684 -24.5842 -36.3721 48.3048 -39.7776 21.9748 TIMING: 1847600 CPU: 5914.2, 0.00319257/step Wall: 5914.2, 0.00319257/step, 2.79563 hours remaining, 231.628906 MB of memory in use. ENERGY: 1847600 3992.0605 20609.1958 14534.5906 239.4083 -203297.6106 2396.1184 0.0000 0.0000 51987.5268 -109538.7103 298.7730 -161526.2370 -109190.0471 299.1146 -29.5429 6.3171 761099.2902 -12.5265 -12.6525 PRESSURE: 1847800 189.178 125.913 257.159 125.913 -205.575 -188.439 257.159 -188.439 -231.573 GPRESSURE: 1847800 162.255 148.933 289.614 10.4639 -117.505 -180.141 270.817 -83.8024 -204.341 PRESSAVG: 1847800 68.7636 31.2838 -2.53424 31.2839 -77.5815 55.7432 -2.53422 55.7433 7.69451 GPRESSAVG: 1847800 68.532 33.1407 -3.76138 29.2293 -77.1817 54.5807 -2.62058 55.394 6.57096 TIMING: 1847800 CPU: 5914.84, 0.00317422/step Wall: 5914.84, 0.00317422/step, 2.77938 hours remaining, 231.628906 MB of memory in use. ENERGY: 1847800 3989.6288 20491.4964 14519.1131 247.1258 -203082.5299 2406.1338 0.0000 0.0000 51883.0830 -109545.9490 298.1728 -161429.0320 -109180.9654 299.1405 -82.6564 -53.1971 759869.5466 -0.3745 -0.6929 PRESSURE: 1848000 -0.630081 -33.3724 239.673 -33.3727 108.505 36.7104 239.673 36.7114 -55.6798 GPRESSURE: 1848000 83.2718 -30.4648 250.831 -6.85127 123.897 -51.6552 332.753 41.2993 -60.0296 PRESSAVG: 1848000 47.9565 -4.42645 26.4412 -4.42641 -40.1718 16.9828 26.4411 16.9828 -1.25398 GPRESSAVG: 1848000 46.1496 -4.98087 28.9564 -3.0399 -39.6696 18.3462 27.0408 16.5297 -0.201078 TIMING: 1848000 CPU: 5915.47, 0.00317624/step Wall: 5915.47, 0.00317624/step, 2.78098 hours remaining, 231.628906 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: 1848000 4042.1175 20387.7603 14507.6879 255.5659 -203306.0483 2578.2498 0.0000 0.0000 51929.0278 -109605.6392 298.4368 -161534.6670 -109249.1669 298.6443 17.3984 49.0465 759647.3086 2.1769 2.0930 PRESSURE: 1848200 85.0194 150.457 138.904 150.457 -6.12611 -178.805 138.905 -178.805 -312.652 GPRESSURE: 1848200 112.139 59.112 46.5041 37.3691 84.9507 -186.433 93.5416 -125.135 -319.401 PRESSAVG: 1848200 16.6084 -34.0979 67.7334 -34.098 15.4319 17.5155 67.7334 17.5155 15.8724 GPRESSAVG: 1848200 17.9957 -33.4706 67.3061 -35.3195 14.6353 16.2506 66.7352 18.5189 15.1026 TIMING: 1848200 CPU: 5916.1, 0.00316212/step Wall: 5916.1, 0.00316212/step, 2.76844 hours remaining, 231.628906 MB of memory in use. ENERGY: 1848200 4057.9519 20377.1101 14524.9269 261.9914 -203011.7357 2358.6424 0.0000 0.0000 51815.9216 -109615.1913 297.7868 -161431.1129 -109244.8177 298.4655 -77.9196 -40.7706 762246.6871 15.9709 15.9112 LDB: ============= START OF LOAD BALANCING ============== 5928.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5928.53 LDB: =============== DONE WITH MIGRATION ================ 5928.53 LDB: ============= START OF LOAD BALANCING ============== 5928.85 LDB: Largest compute 7033 load 0.036555 is 18.7% of average load 0.195485 LDB: Average compute 0.004408 is 2.3% of average load 0.195485 LDB: TIME 5928.85 LOAD: AVG 0.195485 MAX 0.213567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.43 MB LDB: TIME 5928.85 LOAD: AVG 0.195485 MAX 0.213567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.633 MB LDB: TIME 5928.85 LOAD: AVG 0.195485 MAX 0.213567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.633 MB LDB: ============== END OF LOAD BALANCING =============== 5928.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5928.86 PRESSURE: 1848400 -64.1352 129.366 -5.21977 129.367 -489.514 63.0136 -5.21959 63.0139 254.555 GPRESSURE: 1848400 -51.3909 106.845 -56.6656 9.96541 -438.684 187.351 101.068 82.7735 294.123 PRESSAVG: 1848400 1.51287 -44.6964 45.5111 -44.6964 -14.418 1.28714 45.5112 1.28714 1.47344 GPRESSAVG: 1848400 0.740224 -45.0898 45.2878 -45.9247 -14.2851 2.93007 46.2137 1.34338 2.4469 TIMING: 1848400 CPU: 5916.75, 0.00323333/step Wall: 5916.75, 0.00323333/step, 2.8306 hours remaining, 233.875000 MB of memory in use. ENERGY: 1848400 4048.8934 20411.1070 14519.2611 230.5426 -202947.5955 2405.0576 0.0000 0.0000 51708.1731 -109624.5607 297.1676 -161332.7339 -109272.8236 298.1813 -99.6979 -65.3174 761436.3944 -3.8106 -3.6993 PRESSURE: 1848600 -150.474 -151.606 42.3479 -151.605 324.024 -71.9813 42.3477 -71.9808 55.7056 GPRESSURE: 1848600 -128.417 -178.88 -0.543726 -120.149 333.068 -57.0495 61.4791 -156.757 91.7289 PRESSAVG: 1848600 3.2176 -75.9845 88.0551 -75.9845 -35.4183 21.8448 88.0551 21.8448 14.3556 GPRESSAVG: 1848600 3.33131 -76.7557 87.7605 -75.8559 -34.6317 22.3061 89.1846 23.7437 13.6765 TIMING: 1848600 CPU: 5917.38, 0.003159/step Wall: 5917.38, 0.003159/step, 2.76536 hours remaining, 234.019531 MB of memory in use. ENERGY: 1848600 3918.2386 20487.9783 14503.0274 245.3960 -203337.3966 2311.1502 0.0000 0.0000 52271.6957 -109599.9103 300.4062 -161871.6060 -109243.6692 298.4043 76.4184 98.7933 760236.0725 -5.9484 -5.8747 PRESSURE: 1848800 174.637 163.966 106.462 163.966 -186.485 21.9069 106.461 21.9075 -187.367 GPRESSURE: 1848800 101.029 149.615 78.2165 139.611 -64.8268 39.5133 70.2521 -44.8099 -135.518 PRESSAVG: 1848800 18.0856 -5.38979 32.3805 -5.38981 18.3084 -16.2925 32.3805 -16.2926 -14.8861 GPRESSAVG: 1848800 17.3869 -5.82258 32.4198 -2.49891 18.2552 -18.3189 32.6615 -18.3933 -13.9756 TIMING: 1848800 CPU: 5918.01, 0.00314364/step Wall: 5918.01, 0.00314364/step, 2.75174 hours remaining, 234.019531 MB of memory in use. ENERGY: 1848800 3985.6469 20510.1338 14556.2371 254.5161 -203988.2377 2980.3952 0.0000 0.0000 52144.5541 -109556.7545 299.6755 -161701.3085 -109202.4371 298.7267 -66.4050 -33.1053 760604.9723 7.1693 7.2222 PRESSURE: 1849000 -61.3537 -81.7888 231.099 -81.7881 163.613 -60.1822 231.098 -60.1825 -409.47 GPRESSURE: 1849000 -14.22 -152.7 301.286 -53.8023 204.587 -43.3527 284.078 -2.8858 -399.265 PRESSAVG: 1849000 -13.7029 -36.9242 -26.7952 -36.9242 50.6356 -41.9579 -26.7952 -41.9578 15.8611 GPRESSAVG: 1849000 -12.3426 -37.1242 -25.6733 -38.8189 50.3867 -40.3952 -26.9662 -41.7326 14.7507 TIMING: 1849000 CPU: 5918.64, 0.00315438/step Wall: 5918.64, 0.00315438/step, 2.76095 hours remaining, 234.019531 MB of memory in use. ENERGY: 1849000 3973.7493 20626.6770 14546.5872 252.5892 -203715.0429 2918.7049 0.0000 0.0000 52022.3080 -109374.4273 298.9729 -161396.7353 -109016.4540 299.4151 -102.4036 -69.6326 760701.1417 17.5979 17.5983 PRESSURE: 1849200 -5.17134 44.6287 -83.8145 44.629 351.358 -77.1236 -83.815 -77.1238 77.8881 GPRESSURE: 1849200 120.454 81.9439 -46.0398 63.7387 313.514 -60.3231 7.83519 -130.365 92.0633 PRESSAVG: 1849200 -23.4591 -38.5005 -27.1842 -38.5005 37.632 -2.92507 -27.1843 -2.92511 2.46971 GPRESSAVG: 1849200 -23.0847 -38.1992 -28.6317 -37.1726 37.4806 -3.62705 -28.1564 -2.20318 2.66682 TIMING: 1849200 CPU: 5919.28, 0.00316229/step Wall: 5919.28, 0.00316229/step, 2.76771 hours remaining, 234.019531 MB of memory in use. ENERGY: 1849200 3991.1427 20491.1188 14536.0030 244.8627 -203658.9465 2873.9506 0.0000 0.0000 51923.9972 -109597.8715 298.4079 -161521.8687 -109251.9724 299.2228 141.3581 175.3436 760272.5297 5.5475 5.6876 PRESSURE: 1849400 33.8788 226.261 -11.6238 226.26 -171.262 80.4133 -11.6232 80.4129 -90.5601 GPRESSURE: 1849400 69.4414 189.094 -29.4744 174.517 -65.694 90.8739 63.1223 12.5976 -137.432 PRESSAVG: 1849400 15.3518 -59.1649 7.10298 -59.165 -18.0302 11.0162 7.10288 11.0162 -8.26203 GPRESSAVG: 1849400 14.2456 -58.585 6.93367 -60.1335 -17.1591 11.9429 6.4508 10.5023 -8.07337 TIMING: 1849400 CPU: 5919.91, 0.00315648/step Wall: 5919.91, 0.00315648/step, 2.76245 hours remaining, 234.019531 MB of memory in use. ENERGY: 1849400 3981.0999 20532.4715 14452.1990 245.6912 -203200.3363 2506.4498 0.0000 0.0000 51984.3817 -109498.0433 298.7550 -161482.4250 -109137.0569 299.3893 -75.9812 -44.5615 762321.8574 -3.6468 -3.6623 PRESSURE: 1849600 236.759 98.2826 -111.823 98.2827 -52.3617 -38.8792 -111.823 -38.8804 462.096 GPRESSURE: 1849600 233.715 89.2403 -121.187 65.6824 0.133752 34.1257 -167.812 -73.0055 513.98 PRESSAVG: 1849600 22.4654 -84.1009 20.1201 -84.1008 -48.5615 -11.6477 20.1202 -11.6476 1.76917 GPRESSAVG: 1849600 22.3688 -84.6882 19.658 -84.2593 -49.1704 -10.8028 21.1289 -12.6305 2.56181 TIMING: 1849600 CPU: 5920.54, 0.00318696/step Wall: 5920.54, 0.00318696/step, 2.78894 hours remaining, 234.019531 MB of memory in use. ENERGY: 1849600 4044.2978 20467.9096 14495.0026 261.3063 -203711.9497 2788.8747 0.0000 0.0000 52249.8158 -109404.7430 300.2804 -161654.5588 -109039.5845 299.6887 215.4978 249.2763 760586.3201 -8.1090 -8.0799 PRESSURE: 1849800 216.242 -95.5608 17.7204 -95.56 -328.334 -63.7287 17.7216 -63.728 -17.7864 GPRESSURE: 1849800 168.812 -83.8383 -42.5846 -110.377 -204.793 -33.6613 59.4747 -170.258 1.62381 PRESSAVG: 1849800 11.0221 -45.2461 -7.21181 -45.2461 -26.2256 36.7942 -7.21171 36.7943 17.8693 GPRESSAVG: 1849800 11.5473 -45.9533 -8.28058 -45.0321 -26.6143 33.8625 -8.37446 38.217 17.3071 TIMING: 1849800 CPU: 5921.18, 0.00317149/step Wall: 5921.18, 0.00317149/step, 2.77523 hours remaining, 234.019531 MB of memory in use. ENERGY: 1849800 4032.8331 20461.8107 14539.1725 271.3775 -203404.9466 2546.1590 0.0000 0.0000 52072.9067 -109480.6872 299.2637 -161553.5939 -109118.3926 298.9629 -43.2926 -11.4526 760960.3407 0.8886 0.7467 PRESSURE: 1850000 -6.06509 -221.221 -11.9405 -221.221 -22.9808 -2.40466 -11.9401 -2.40426 215.31 GPRESSURE: 1850000 -19.8513 -244.773 -17.446 -306.033 4.63781 -46.5548 -92.2537 -159.287 263.812 PRESSAVG: 1850000 45.5204 -40.4931 5.88862 -40.4931 -28.6353 15.0492 5.88859 15.0492 -40.0825 GPRESSAVG: 1850000 44.872 -41.6686 8.2686 -37.5224 -27.6436 16.3941 5.14761 15.2817 -40.3792 TIMING: 1850000 CPU: 5921.82, 0.00318413/step Wall: 5921.82, 0.00318413/step, 2.78611 hours remaining, 234.019531 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: 1850000 3971.3376 20454.4001 14530.2836 239.8008 -203195.1032 2312.2814 0.0000 0.0000 52190.8417 -109496.1580 299.9415 -161686.9997 -109133.9941 298.7283 62.0881 82.8660 761245.0018 -7.7325 -7.7169 PRESSURE: 1850200 355.028 -4.3722 -9.98987 -4.37196 -227.11 -109.558 -9.98935 -109.558 -273.497 GPRESSURE: 1850200 353.334 -7.92342 -43.2878 59.934 -211.669 -156.479 0.609875 -52.696 -206.328 PRESSAVG: 1850200 42.902 -54.2515 -9.32232 -54.2515 -46.2133 11.8246 -9.3223 11.8246 -0.640322 GPRESSAVG: 1850200 43.1082 -52.8615 -10.8582 -55.5659 -47.2705 12.2116 -8.85822 11.8627 0.574634 TIMING: 1850200 CPU: 5922.45, 0.00318817/step Wall: 5922.45, 0.00318817/step, 2.78947 hours remaining, 234.019531 MB of memory in use. ENERGY: 1850200 4049.9405 20322.5163 14438.2284 246.8935 -203472.5916 2682.4889 0.0000 0.0000 51994.9018 -109737.6221 298.8154 -161732.5239 -109380.6982 299.0237 -48.5262 -21.5545 762313.4848 -1.3172 -1.1959 PRESSURE: 1850400 -292.054 -126.109 -41.2019 -126.109 -112.695 15.0087 -41.2019 15.0075 -39.4648 GPRESSURE: 1850400 -186.719 -72.1709 -13.0614 -173.512 -134.864 -93.4586 41.7909 -47.6289 -25.3773 PRESSAVG: 1850400 -23.2018 -37.661 37.2849 -37.661 -8.96414 18.514 37.2849 18.514 9.14598 GPRESSAVG: 1850400 -23.4381 -36.4638 38.9926 -36.7455 -7.82174 17.5047 35.6028 20.1966 8.60302 TIMING: 1850400 CPU: 5923.09, 0.00316598/step Wall: 5923.09, 0.00316598/step, 2.76988 hours remaining, 234.019531 MB of memory in use. ENERGY: 1850400 3973.9024 20341.2351 14440.3701 236.9458 -203486.5661 2606.2730 0.0000 0.0000 52436.5045 -109451.3353 301.3533 -161887.8398 -109077.4217 298.9858 -148.0713 -115.6534 762185.9656 -7.6733 -7.5523 PRESSURE: 1850600 -147.808 23.1293 -26.5751 23.1295 316.705 -294.042 -26.5751 -294.042 194.267 GPRESSURE: 1850600 -103.266 -18.1512 -82.0784 34.1006 434.369 -342.989 -110.615 -182.6 127.268 PRESSAVG: 1850600 -36.5758 -33.3178 21.0421 -33.3178 50.0991 24.8153 21.042 24.8153 -18.2144 GPRESSAVG: 1850600 -36.5019 -35.2145 21.0246 -34.3725 49.6568 26.1395 21.1626 22.2837 -17.4385 TIMING: 1850600 CPU: 5923.72, 0.00316597/step Wall: 5923.72, 0.00316597/step, 2.7697 hours remaining, 234.019531 MB of memory in use. ENERGY: 1850600 3999.7188 20476.8175 14478.2169 260.8091 -203494.5398 2841.2230 0.0000 0.0000 52013.4745 -109424.2800 298.9222 -161437.7545 -109065.4756 299.3985 121.0548 152.7903 762100.0341 -1.5637 -1.4279 PRESSURE: 1850800 -130.36 176.34 -144.067 176.34 -161.777 -223.774 -144.066 -223.774 -171.174 GPRESSURE: 1850800 -46.8773 70.1688 -124.587 179.129 -162.222 -146.532 -116.735 -121.028 -176.863 PRESSAVG: 1850800 -14.5199 -21.1708 -33.2857 -21.1708 -22.1491 23.0238 -33.2856 23.0237 -5.06804 GPRESSAVG: 1850800 -14.1413 -20.1998 -35.0262 -21.6003 -21.8733 22.485 -30.2626 22.8944 -5.67878 TIMING: 1850800 CPU: 5924.36, 0.0031814/step Wall: 5924.36, 0.0031814/step, 2.78301 hours remaining, 234.019531 MB of memory in use. ENERGY: 1850800 3979.0278 20474.4674 14487.2455 227.3300 -203573.2485 2955.5168 0.0000 0.0000 51949.5413 -109500.1197 298.5547 -161449.6610 -109130.6683 299.1423 -154.4370 -128.6542 761774.6023 -13.9124 -13.8978 PRESSURE: 1851000 251.611 60.8611 -35.6565 60.8608 338.876 -193.641 -35.657 -193.641 324.179 GPRESSURE: 1851000 268.377 33.7668 -98.0388 49.2208 343.874 -162.055 -30.578 -219.766 397.636 PRESSAVG: 1851000 -24.1752 -26.9691 5.86453 -26.969 23.4474 -14.7009 5.86452 -14.7008 11.7912 GPRESSAVG: 1851000 -23.5974 -27.0525 6.85191 -26.9451 23.1777 -13.419 4.52204 -13.7681 11.5856 TIMING: 1851000 CPU: 5924.99, 0.0031798/step Wall: 5924.99, 0.0031798/step, 2.78144 hours remaining, 234.019531 MB of memory in use. ENERGY: 1851000 3999.6764 20312.2898 14518.0658 247.7880 -203277.6763 2659.4095 0.0000 0.0000 51960.8721 -109579.5745 298.6198 -161540.4467 -109215.7237 298.8888 304.8888 336.6290 759867.8929 3.6878 3.7220 PRESSURE: 1851200 -451.145 3.01977 -36.6796 3.01917 -141.513 65.622 -36.6812 65.6218 43.1555 GPRESSURE: 1851200 -387.945 41.8071 -90.6087 -8.60783 -166.58 21.0936 -10.6603 57.4791 91.2867 PRESSAVG: 1851200 27.7751 -9.03576 -13.7938 -9.03581 -20.2666 -21.5867 -13.7937 -21.5867 -7.9757 GPRESSAVG: 1851200 26.4359 -8.01127 -13.4299 -8.56991 -19.6577 -22.2072 -13.6393 -23.5341 -7.3183 TIMING: 1851200 CPU: 5925.63, 0.0031678/step Wall: 5925.63, 0.0031678/step, 2.77077 hours remaining, 234.019531 MB of memory in use. ENERGY: 1851200 3993.1102 20419.8515 14482.0301 234.8103 -202861.9635 2137.0995 0.0000 0.0000 52037.7294 -109557.3325 299.0615 -161595.0618 -109202.7878 298.8198 -183.1677 -154.4128 761624.8815 -0.1557 -0.1800 PRESSURE: 1851400 -223.855 76.0965 -75.9563 76.0964 51.179 -84.4166 -75.9564 -84.4165 -35.473 GPRESSURE: 1851400 -125.789 81.06 -5.72177 21.3209 93.8535 -81.945 8.28326 73.8056 -74.4455 PRESSAVG: 1851400 32.2282 -26.7261 -11.7922 -26.7262 2.35271 -15.1881 -11.7923 -15.1881 -10.0069 GPRESSAVG: 1851400 33.8566 -25.4057 -12.0677 -26.6562 2.07766 -14.6854 -9.80109 -14.8854 -11.1893 TIMING: 1851400 CPU: 5926.26, 0.00319469/step Wall: 5926.26, 0.00319469/step, 2.79411 hours remaining, 234.019531 MB of memory in use. ENERGY: 1851400 4001.3706 20347.0796 14441.8053 243.1346 -203121.7991 2478.8339 0.0000 0.0000 51931.7953 -109677.7799 298.4527 -161609.5752 -109310.5271 298.8411 -69.3829 -35.4604 761997.8448 8.1913 8.2483 PRESSURE: 1851600 -344.348 -118.268 250.729 -118.267 135.234 -14.3446 250.728 -14.3441 36.2084 GPRESSURE: 1851600 -278.431 -68.5197 200.504 -107.848 139.417 1.85446 220.325 73.0621 48.4021 PRESSAVG: 1851600 -33.9967 -2.48453 12.7456 -2.48453 17.7853 3.08992 12.7456 3.08993 -4.36474 GPRESSAVG: 1851600 -34.606 -3.12024 13.3289 -2.21657 18.0377 1.05996 10.712 3.37282 -3.83603 TIMING: 1851600 CPU: 5926.9, 0.00318986/step Wall: 5926.9, 0.00318986/step, 2.78971 hours remaining, 234.019531 MB of memory in use. ENERGY: 1851600 3937.6888 20398.0586 14491.7498 246.6647 -202853.7114 2339.4168 0.0000 0.0000 51702.1067 -109738.0259 297.1327 -161440.1327 -109385.1387 297.9093 -57.6352 -30.2041 761582.0484 -6.8587 -6.8014 PRESSURE: 1851800 -126.435 107.488 113.625 107.488 -87.603 -70.3769 113.625 -70.3775 -257.531 GPRESSURE: 1851800 -90.7175 147.957 123.953 86.9353 -4.9703 -113.893 97.1522 -154.393 -290.155 PRESSAVG: 1851800 32.1478 2.56429 38.2623 2.56424 -13.706 11.7846 38.2623 11.7845 1.79565 GPRESSAVG: 1851800 31.9017 0.872725 38.7502 2.38124 -14.3253 13.0314 36.578 11.4394 2.55327 TIMING: 1851800 CPU: 5927.53, 0.00315942/step Wall: 5927.53, 0.00315942/step, 2.76291 hours remaining, 234.019531 MB of memory in use. ENERGY: 1851800 3920.0405 20343.3384 14452.0273 258.3789 -203097.8463 2423.3710 0.0000 0.0000 51891.5681 -109809.1220 298.2216 -161700.6901 -109446.8203 298.0163 -157.1897 -128.6143 760260.1181 6.7458 6.7099 PRESSURE: 1852000 -84.9231 168.339 -222.025 168.34 -79.7943 -121.024 -222.024 -121.024 -7.57163 GPRESSURE: 1852000 -70.9526 193.048 -187.687 298.804 -39.9795 -97.2009 -290.718 -98.4518 18.0689 PRESSAVG: 1852000 18.6899 -30.3633 0.184702 -30.3633 3.71819 -56.8438 0.184756 -56.8439 11.5591 GPRESSAVG: 1852000 20.1509 -28.8734 0.395213 -29.8511 4.01332 -57.9274 2.86484 -55.9703 10.1049 TIMING: 1852000 CPU: 5928.16, 0.00314906/step Wall: 5928.16, 0.00314906/step, 2.75368 hours remaining, 234.019531 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: 1852000 3897.0439 20384.5179 14521.7398 253.2753 -203479.5318 2603.2975 0.0000 0.0000 52109.9645 -109709.6929 299.4767 -161819.6575 -109340.6534 298.0835 -57.4297 -30.9544 760807.9198 11.3224 11.4231 PRESSURE: 1852200 51.2073 162.189 -81.404 162.189 511.152 14.2452 -81.4042 14.2449 242.346 GPRESSURE: 1852200 146.177 97.2769 -31.1051 164.121 472.27 -29.1415 -80.5391 65.5357 255.725 PRESSAVG: 1852200 4.90657 -44.1843 -27.0068 -44.1843 0.0887267 -85.509 -27.0068 -85.509 -14.2132 GPRESSAVG: 1852200 4.15572 -43.1995 -27.5909 -44.2589 -0.0732662 -83.5828 -27.7944 -85.9496 -13.8836 TIMING: 1852200 CPU: 5928.8, 0.00318495/step Wall: 5928.8, 0.00318495/step, 2.78489 hours remaining, 234.019531 MB of memory in use. ENERGY: 1852200 3938.8933 20458.3773 14528.5228 244.3796 -203730.6874 2923.6263 0.0000 0.0000 52149.8154 -109487.0728 299.7057 -161636.8883 -109127.4767 298.9164 268.2353 291.3907 760948.7370 -3.0726 -3.2670 LDB: ============= START OF LOAD BALANCING ============== 5941.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5941.22 LDB: =============== DONE WITH MIGRATION ================ 5941.23 LDB: ============= START OF LOAD BALANCING ============== 5941.54 LDB: Largest compute 7033 load 0.039111 is 20.0% of average load 0.195355 LDB: Average compute 0.004441 is 2.3% of average load 0.195355 LDB: TIME 5941.55 LOAD: AVG 0.195355 MAX 0.213506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.043 MB LDB: TIME 5941.55 LOAD: AVG 0.195355 MAX 0.213506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: TIME 5941.55 LOAD: AVG 0.195355 MAX 0.213506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: ============== END OF LOAD BALANCING =============== 5941.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5941.55 PRESSURE: 1852400 248.059 45.9833 114.223 45.9821 111.731 4.13551 114.223 4.13477 345.141 GPRESSURE: 1852400 277.63 6.75184 148.664 98.1425 139.131 23.2799 48.7075 91.2874 381.209 PRESSAVG: 1852400 -14.7124 -15.3011 2.83562 -15.3012 20.7722 -53.7432 2.83562 -53.7431 -6.84187 GPRESSAVG: 1852400 -16.2887 -16.659 2.12456 -15.1457 21.0623 -55.7032 4.70898 -52.2391 -5.41532 TIMING: 1852400 CPU: 5929.45, 0.00324009/step Wall: 5929.45, 0.00324009/step, 2.83292 hours remaining, 232.074219 MB of memory in use. ENERGY: 1852400 3977.5758 20442.5581 14512.8572 228.5871 -204053.1604 3154.0612 0.0000 0.0000 52351.1079 -109386.4131 300.8625 -161737.5209 -109021.1870 299.3934 234.9769 265.9902 760827.7262 -0.2607 -0.2139 PRESSURE: 1852600 31.2388 47.5884 3.68005 47.5883 -155.08 358.793 3.68031 358.794 298.9 GPRESSURE: 1852600 16.3927 104.411 -69.4553 62.6829 -87.3005 369.533 73.9 249.41 329.015 PRESSAVG: 1852600 -26.6461 -26.4163 29.7024 -26.4162 7.20483 42.1014 29.7025 42.1014 6.78541 GPRESSAVG: 1852600 -26.1004 -25.9745 30.34 -26.2932 7.12834 43.0882 29.4331 40.296 6.61021 TIMING: 1852600 CPU: 5930.08, 0.00316332/step Wall: 5930.08, 0.00316332/step, 2.76562 hours remaining, 232.074219 MB of memory in use. ENERGY: 1852600 3968.5084 20384.8210 14565.9259 240.0049 -203218.2622 2590.1863 0.0000 0.0000 51910.1190 -109558.6967 298.3282 -161468.8157 -109198.0154 299.0150 58.3531 86.0359 760805.0396 -4.2186 -4.1206 PRESSURE: 1852800 361.865 -32.1527 273.193 -32.1519 203.063 284.215 273.193 284.215 141.384 GPRESSURE: 1852800 406.722 22.1006 183.738 -93.3911 261.126 273.889 225.475 170.18 116.001 PRESSAVG: 1852800 -43.9156 18.2647 32.8084 18.2646 53.3362 7.1709 32.8084 7.17082 6.96214 GPRESSAVG: 1852800 -44.3028 17.8586 32.9154 18.3657 53.7823 6.64488 32.8374 6.46846 6.77524 TIMING: 1852800 CPU: 5930.72, 0.00318669/step Wall: 5930.72, 0.00318669/step, 2.78588 hours remaining, 232.074219 MB of memory in use. ENERGY: 1852800 4015.1709 20482.9294 14496.9276 258.6426 -203533.3534 2803.7762 0.0000 0.0000 51943.0113 -109532.8953 298.5172 -161475.9066 -109167.7651 299.1083 235.4374 261.2829 761489.0834 5.4609 5.4183 PRESSURE: 1853000 -40.2297 197.083 40.3006 197.083 121.489 142.011 40.3005 142.011 -90.4101 GPRESSURE: 1853000 4.07507 130.091 -73.9642 206.64 185.989 120.658 57.4273 134.917 -103.64 PRESSAVG: 1853000 9.93534 -23.768 22.9188 -23.7679 22.1718 -22.0626 22.9188 -22.0626 5.70804 GPRESSAVG: 1853000 11.3111 -24.6085 22.2159 -24.9143 20.5933 -22.2765 21.2665 -19.4312 5.92901 TIMING: 1853000 CPU: 5931.35, 0.00316301/step Wall: 5931.35, 0.00316301/step, 2.765 hours remaining, 232.074219 MB of memory in use. ENERGY: 1853000 4046.5516 20404.2557 14476.5840 235.3365 -203116.0624 2385.9941 0.0000 0.0000 51966.7218 -109600.6187 298.6535 -161567.3405 -109240.9284 298.8542 -3.0503 28.8079 759292.4626 12.6051 12.6112 PRESSURE: 1853200 -147.258 23.598 -216.321 23.5992 8.89253 76.9242 -216.321 76.9244 -180.329 GPRESSURE: 1853200 -126.241 -3.28148 -136.49 -49.9748 46.7159 -44.3773 -248.316 145.628 -145.009 PRESSAVG: 1853200 -35.5179 -2.60085 60.6571 -2.60084 40.5173 -14.6507 60.6572 -14.6507 -2.0418 GPRESSAVG: 1853200 -36.1148 -1.73492 61.5983 -3.13199 41.4741 -15.8693 62.4472 -14.5391 -2.25976 TIMING: 1853200 CPU: 5931.98, 0.00316767/step Wall: 5931.98, 0.00316767/step, 2.76889 hours remaining, 232.074219 MB of memory in use. ENERGY: 1853200 3897.7985 20563.8873 14561.0333 249.9390 -203095.1598 2388.5909 0.0000 0.0000 51883.0267 -109550.8841 298.1725 -161433.9108 -109193.7591 298.6127 -106.2313 -74.8447 761602.1553 0.9859 1.0332 PRESSURE: 1853400 -290.224 -52.4413 -165.074 -52.4415 56.6925 40.6408 -165.075 40.6405 -87.2329 GPRESSURE: 1853400 -180.413 -7.94441 -183.579 -89.1433 87.0895 -55.1004 -121.047 51.4311 -121.198 PRESSAVG: 1853400 9.48129 30.8139 4.33011 30.8139 -51.9487 -15.969 4.33012 -15.9691 23.2874 GPRESSAVG: 1853400 10.6947 32.312 4.58778 29.9909 -52.7918 -15.2469 2.59616 -16.2108 23.1379 TIMING: 1853400 CPU: 5932.62, 0.00316527/step Wall: 5932.62, 0.00316527/step, 2.76662 hours remaining, 232.074219 MB of memory in use. ENERGY: 1853400 3951.3113 20691.0918 14505.2537 264.5225 -203338.6100 2626.6599 0.0000 0.0000 51894.2201 -109405.5508 298.2368 -161299.7709 -109046.8633 298.5771 -106.9215 -71.5073 761736.3586 -6.3933 -6.3197 PRESSURE: 1853600 397.993 -190.804 265.53 -190.804 -233.392 380.915 265.53 380.915 113.961 GPRESSURE: 1853600 377.327 -191.87 297.237 -192.72 -174.777 310.327 314.112 344.113 165.486 PRESSAVG: 1853600 2.55923 36.5131 29.33 36.5131 -6.19178 -9.1855 29.33 -9.18551 22.7844 GPRESSAVG: 1853600 1.27042 36.2689 29.2798 36.3711 -4.24741 -10.0836 30.6761 -9.25634 21.8957 TIMING: 1853600 CPU: 5933.25, 0.0031721/step Wall: 5933.25, 0.0031721/step, 2.77242 hours remaining, 232.074219 MB of memory in use. ENERGY: 1853600 4003.4177 20533.7611 14544.0792 224.4322 -203329.2955 2380.0225 0.0000 0.0000 52102.9431 -109540.6395 299.4363 -161643.5826 -109174.8761 299.0106 92.8543 122.6787 762027.3980 6.3840 6.3062 PRESSURE: 1853800 -135.575 -82.8975 -48.3907 -82.898 355.422 -93.5252 -48.3915 -93.5259 -197.747 GPRESSURE: 1853800 -99.9179 -62.4915 6.51669 -93.8497 384.588 -70.4583 -82.7889 -167.73 -174.932 PRESSAVG: 1853800 -27.6847 20.6558 -21.1864 20.6558 25.9431 57.3344 -21.1865 57.3344 -5.8945 GPRESSAVG: 1853800 -27.7886 19.4295 -22.2999 22.5461 24.5829 57.5532 -21.1627 56.8405 -4.27936 TIMING: 1853800 CPU: 5933.88, 0.00315488/step Wall: 5933.88, 0.00315488/step, 2.75719 hours remaining, 232.074219 MB of memory in use. ENERGY: 1853800 3979.9146 20300.4575 14554.9095 251.3876 -203746.4383 2979.9772 0.0000 0.0000 52026.1346 -109653.6573 298.9949 -161679.7918 -109292.3499 298.4399 7.3666 36.5794 760887.2888 -2.5454 -2.4950 PRESSURE: 1854000 72.2643 24.1667 153.791 24.167 -248.651 86.9527 153.792 86.952 129.981 GPRESSURE: 1854000 121.176 124.67 105.911 26.4101 -195.793 170.692 138.769 64.967 128.83 PRESSAVG: 1854000 -26.7652 -20.8995 22.8815 -20.8995 -7.42629 58.692 22.8816 58.6921 -22.3672 GPRESSAVG: 1854000 -26.577 -20.0483 24.5478 -22.3777 -7.84525 59.0866 21.252 58.637 -22.3438 TIMING: 1854000 CPU: 5934.51, 0.0031518/step Wall: 5934.51, 0.0031518/step, 2.75432 hours remaining, 232.074219 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: 1854000 4023.2057 20456.0898 14550.5685 254.8174 -203498.7594 2516.3140 0.0000 0.0000 52032.3268 -109665.4371 299.0305 -161697.7639 -109299.4008 298.6137 -15.4686 18.0711 761248.7396 -18.8529 -18.9220 PRESSURE: 1854200 -19.3679 1.79529 -127.102 1.7954 -155.383 321.898 -127.102 321.898 54.3793 GPRESSURE: 1854200 84.5619 -17.0172 -144.862 173.412 -112.224 326.392 -148.386 303.969 4.96416 PRESSAVG: 1854200 53.2447 25.9336 38.7694 25.9336 -22.3447 14.6379 38.7693 14.6379 -0.898996 GPRESSAVG: 1854200 53.4525 24.6972 39.5454 26.9811 -21.7181 14.1997 39.7357 14.9073 -1.50804 TIMING: 1854200 CPU: 5935.15, 0.00315873/step Wall: 5935.15, 0.00315873/step, 2.7602 hours remaining, 232.074219 MB of memory in use. ENERGY: 1854200 3916.5224 20607.4628 14551.1553 246.7827 -203431.8395 2588.5239 0.0000 0.0000 51847.0802 -109674.3121 297.9659 -161521.3924 -109317.9373 298.9483 -40.1237 -7.5659 761646.4330 10.0003 10.0755 PRESSURE: 1854400 393.652 -18.1173 189.339 -18.1172 -79.4181 -169.183 189.34 -169.182 215.254 GPRESSURE: 1854400 458.805 -109.734 151.991 -109.665 -5.58128 -219.598 69.0866 -115.569 157.545 PRESSAVG: 1854400 -3.59611 -2.05626 23.2255 -2.05626 28.3309 23.717 23.2255 23.717 29.2477 GPRESSAVG: 1854400 -4.24248 -0.605868 20.8546 -2.35195 29.0606 23.3913 23.4177 23.1236 29.4045 TIMING: 1854400 CPU: 5935.78, 0.00316141/step Wall: 5935.78, 0.00316141/step, 2.76237 hours remaining, 232.074219 MB of memory in use. ENERGY: 1854400 3930.1293 20531.0647 14512.3908 242.6481 -203181.2713 2589.5998 0.0000 0.0000 51880.3334 -109495.1053 298.1570 -161375.4387 -109129.2570 298.8450 176.4958 203.5897 761289.2788 17.9942 18.0742 PRESSURE: 1854600 116.549 25.3042 48.6379 25.3038 46.8556 115.915 48.6377 115.914 485.362 GPRESSURE: 1854600 176.134 9.96508 89.4254 88.5139 103.847 157.389 -43.1047 74.09 475.384 PRESSAVG: 1854600 51.1425 -22.8063 -30.5783 -22.8063 -2.65279 -38.1901 -30.5783 -38.1901 -1.60367 GPRESSAVG: 1854600 51.712 -23.0752 -29.3191 -22.4127 -2.18248 -38.697 -30.9448 -38.9524 -2.60135 TIMING: 1854600 CPU: 5936.41, 0.00315312/step Wall: 5936.41, 0.00315312/step, 2.75495 hours remaining, 232.074219 MB of memory in use. ENERGY: 1854600 3880.4443 20528.0635 14475.5568 242.0605 -203647.2191 2929.0832 0.0000 0.0000 52230.7279 -109361.2829 300.1707 -161592.0108 -108994.9387 299.2683 216.2557 251.7885 761198.2957 15.6287 15.6427 PRESSURE: 1854800 -245.261 200.217 91.0669 200.218 -137.887 -53.7523 91.0674 -53.7523 -47.4623 GPRESSURE: 1854800 -156.554 296.632 66.7206 200.702 -109.475 -20.2521 76.3078 23.922 -78.8752 PRESSAVG: 1854800 41.0147 -27.1307 74.1936 -27.1306 -42.9915 -66.8412 74.1937 -66.8412 -5.17167 GPRESSAVG: 1854800 41.1006 -26.9643 73.4417 -27.3361 -43.534 -67.2208 74.2101 -66.2002 -4.63879 TIMING: 1854800 CPU: 5937.04, 0.00317142/step Wall: 5937.04, 0.00317142/step, 2.77076 hours remaining, 232.074219 MB of memory in use. ENERGY: 1854800 3976.9549 20646.9984 14599.6819 252.2395 -202941.1692 2450.7710 0.0000 0.0000 51853.0534 -109161.4702 298.0002 -161014.5236 -108801.0596 299.4564 -143.5365 -114.9682 761238.5054 -2.3829 -2.3574 PRESSURE: 1855000 300.09 -105.851 -118.936 -105.851 -142.603 -65.3804 -118.936 -65.3806 -90.7072 GPRESSURE: 1855000 253.219 -16.9359 -74.6653 -113.884 -42.7949 -75.4431 -76.6367 -183.256 -53.7515 PRESSAVG: 1855000 11.9681 17.0046 -11.2819 17.0046 -30.1091 12.1482 -11.2819 12.1482 -0.160376 GPRESSAVG: 1855000 12.7448 17.5519 -9.35782 17.0943 -30.4279 12.182 -11.8752 11.9592 -0.0650924 TIMING: 1855000 CPU: 5937.68, 0.00316308/step Wall: 5937.68, 0.00316308/step, 2.7633 hours remaining, 232.074219 MB of memory in use. ENERGY: 1855000 3909.3512 20657.9216 14563.8779 262.5120 -202986.5360 2407.5016 0.0000 0.0000 52141.5012 -109043.8706 299.6579 -161185.3718 -108685.0847 299.9277 22.2599 52.2242 761879.9078 -6.1005 -5.9161 PRESSURE: 1855200 -233.072 148.266 -208.144 148.266 122.978 -122.162 -208.143 -122.163 -69.9935 GPRESSURE: 1855200 -143.281 70.0978 -204.657 145.127 220.642 -156.458 -183.552 -3.76068 -165.747 PRESSAVG: 1855200 47.6563 3.59337 -61.9679 3.59334 -15.9686 32.8897 -61.9679 32.8897 24.1621 GPRESSAVG: 1855200 47.4365 2.73796 -64.2321 3.80627 -16.5576 35.2374 -59.8515 33.388 24.5712 TIMING: 1855200 CPU: 5938.31, 0.003171/step Wall: 5938.31, 0.003171/step, 2.77005 hours remaining, 232.074219 MB of memory in use. ENERGY: 1855200 4043.0221 20645.6678 14529.8286 245.9962 -203807.2104 2953.5680 0.0000 0.0000 52564.1278 -108824.9998 302.0868 -161389.1277 -108453.9050 300.4779 -60.0291 -29.4620 762156.2494 18.6166 18.4833 PRESSURE: 1855400 -203.784 -134.077 58.6286 -134.076 73.2988 199.304 58.6289 199.303 -651.834 GPRESSURE: 1855400 -159.492 -119.783 32.7 -226.198 102.181 213.252 31.1059 -13.8354 -645.358 PRESSAVG: 1855400 -6.53617 22.6586 -53.802 22.6586 24.6222 -4.22916 -53.802 -4.2291 -2.42691 GPRESSAVG: 1855400 -7.45858 23.1533 -55.3791 22.3905 25.8348 -5.38742 -55.5965 -6.24662 -2.23865 TIMING: 1855400 CPU: 5938.94, 0.00316339/step Wall: 5938.94, 0.00316339/step, 2.76322 hours remaining, 232.074219 MB of memory in use. ENERGY: 1855400 4023.2994 20700.2441 14514.3808 253.8797 -203133.8394 2495.6564 0.0000 0.0000 52398.4442 -108747.9348 301.1346 -161146.3790 -108378.8896 300.6849 -260.7733 -234.2232 763588.2999 5.2197 5.3792 PRESSURE: 1855600 -348.173 -306.338 -165.237 -306.338 -321.405 -39.701 -165.236 -39.7009 -585.373 GPRESSURE: 1855600 -353.253 -98.4909 -140.24 -286.423 -254.117 -36.8287 -76.3232 -68.0507 -557.061 PRESSAVG: 1855600 -63.8034 32.69 -16.2588 32.69 15.9506 7.75016 -16.2587 7.75019 -8.54815 GPRESSAVG: 1855600 -62.7966 33.1129 -14.7994 33.8699 14.2958 7.80514 -13.4732 10.4125 -8.35003 TIMING: 1855600 CPU: 5939.58, 0.00317626/step Wall: 5939.58, 0.00317626/step, 2.77428 hours remaining, 232.074219 MB of memory in use. ENERGY: 1855600 4027.4004 20566.9705 14529.6158 257.7205 -203150.3413 2352.3323 0.0000 0.0000 52453.1182 -108963.1836 301.4488 -161416.3018 -108589.8552 301.0347 -418.3171 -388.1436 763470.8295 -18.8003 -18.9503 PRESSURE: 1855800 -161.735 -57.3587 180.992 -57.3579 -389.1 166.59 180.992 166.59 -272.836 GPRESSURE: 1855800 -121.11 -78.6894 155.062 -76.3812 -357.323 144.431 91.2207 120.292 -239.632 PRESSAVG: 1855800 -12.8866 -7.32389 33.2051 -7.32385 -8.35117 1.18433 33.2051 1.18437 -10.4095 GPRESSAVG: 1855800 -13.2599 -6.90894 33.3377 -9.34258 -7.01992 -0.209282 30.6309 2.34646 -11.1565 TIMING: 1855800 CPU: 5940.22, 0.00319536/step Wall: 5940.22, 0.00319536/step, 2.79079 hours remaining, 232.074219 MB of memory in use. ENERGY: 1855800 3973.1347 20604.3675 14561.3292 240.6343 -203147.0721 2462.6601 0.0000 0.0000 52465.3280 -108839.6184 301.5190 -161304.9464 -108476.5063 300.4631 -274.5569 -239.3551 762185.7593 -10.5491 -10.4788 PRESSURE: 1856000 -438.627 -154.371 -20.3959 -154.37 -116.908 -152.432 -20.3957 -152.432 -34.8554 GPRESSURE: 1856000 -301.678 -160.299 31.5803 -138.424 -92.8773 -141.179 9.20097 -192.174 -103.886 PRESSAVG: 1856000 -29.8156 -19.7118 2.60662 -19.7118 8.08789 -13.6484 2.60667 -13.6484 -4.44882 GPRESSAVG: 1856000 -29.7357 -20.7327 3.73538 -18.992 8.55802 -11.8521 2.53298 -14.9862 -5.25617 TIMING: 1856000 CPU: 5940.86, 0.00321003/step Wall: 5940.86, 0.00321003/step, 2.80342 hours remaining, 232.074219 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: 1856000 4065.8789 20622.3143 14521.2692 236.5315 -202983.1664 2406.7546 0.0000 0.0000 52254.0783 -108876.3396 300.3049 -161130.4179 -108521.2739 300.5562 -196.7971 -166.1471 763734.7482 -8.7255 -8.8113 PRESSURE: 1856200 77.043 -112.697 -88.1068 -112.698 -130.875 -184.692 -88.1076 -184.691 -124.685 GPRESSURE: 1856200 131.763 -82.285 -82.0112 -11.6859 -70.594 -136.388 46.1579 -190.258 -155.617 PRESSAVG: 1856200 22.088 -36.7529 -3.2699 -36.753 0.169889 -3.85619 -3.26989 -3.85609 -12.6153 GPRESSAVG: 1856200 21.7558 -36.6843 -4.38586 -37.0892 -0.967984 -3.73055 -3.6551 -3.08082 -11.3969 TIMING: 1856200 CPU: 5941.5, 0.00319584/step Wall: 5941.5, 0.00319584/step, 2.79085 hours remaining, 232.074219 MB of memory in use. ENERGY: 1856200 3983.2035 20783.8668 14550.1023 235.7861 -203013.6021 2336.0720 0.0000 0.0000 52320.4365 -108804.1348 300.6863 -161124.5713 -108437.6579 300.3458 -59.5059 -31.4829 759922.0153 3.2142 3.1303 LDB: ============= START OF LOAD BALANCING ============== 5953.92 LDB: ============== END OF LOAD BALANCING =============== 5953.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5953.92 LDB: ============= START OF LOAD BALANCING ============== 5954.24 LDB: Largest compute 7033 load 0.035819 is 18.3% of average load 0.195480 LDB: Average compute 0.004410 is 2.3% of average load 0.195480 LDB: TIME 5954.25 LOAD: AVG 0.19548 MAX 0.212051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 5954.25 LOAD: AVG 0.19548 MAX 0.212051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: TIME 5954.25 LOAD: AVG 0.19548 MAX 0.212051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: ============== END OF LOAD BALANCING =============== 5954.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5954.25 PRESSURE: 1856400 -235.056 -105.802 86.248 -105.802 135.216 213.071 86.2473 213.071 -132.405 GPRESSURE: 1856400 -188.044 -23.5211 8.08482 -232.712 149.415 203.723 132.117 260.191 -121.274 PRESSAVG: 1856400 57.5509 -30.1515 -2.99973 -30.1515 -55.4838 28.3774 -2.9997 28.3774 6.92465 GPRESSAVG: 1856400 58.4137 -30.0762 -2.68214 -30.037 -54.9594 29.422 -0.903867 25.5678 5.59916 TIMING: 1856400 CPU: 5942.15, 0.00325547/step Wall: 5942.15, 0.00325547/step, 2.84275 hours remaining, 231.312500 MB of memory in use. ENERGY: 1856400 3981.3267 20677.9988 14570.5451 274.9939 -203005.8939 2342.5566 0.0000 0.0000 52169.6593 -108988.8136 299.8197 -161158.4729 -108608.2745 300.4726 -77.4148 -53.3012 761431.7307 2.9972 3.0178 PRESSURE: 1856600 -427.197 -82.1179 141.091 -82.1174 153.051 128.945 141.092 128.946 -329.474 GPRESSURE: 1856600 -404.989 -76.6279 99.1373 -37.9764 178.725 158.751 140.409 71.4109 -282.759 PRESSAVG: 1856600 -23.6565 19.3417 20.8704 19.3418 45.9321 21.6154 20.8704 21.6154 -9.90996 GPRESSAVG: 1856600 -25.1732 19.0448 20.727 18.1827 46.9643 20.3049 17.5099 23.1674 -9.21443 TIMING: 1856600 CPU: 5942.79, 0.00319439/step Wall: 5942.79, 0.00319439/step, 2.78923 hours remaining, 231.515625 MB of memory in use. ENERGY: 1856600 4094.0955 20608.0607 14471.8901 249.5831 -202977.3714 2430.6744 0.0000 0.0000 51979.7764 -109143.2913 298.7285 -161123.0677 -108779.0968 300.3444 -201.2068 -169.6745 762018.4435 4.1219 4.1922 PRESSURE: 1856800 22.4116 227.065 81.6452 227.065 -526.241 -278.011 81.6443 -278.01 242.748 GPRESSURE: 1856800 120.095 238.098 25.0253 208.312 -494.645 -328.142 113.838 -152.969 186.271 PRESSAVG: 1856800 12.8797 3.64304 -9.47104 3.64305 -21.8788 -9.78647 -9.47111 -9.78644 15.3198 GPRESSAVG: 1856800 14.6265 4.0669 -7.60313 3.93215 -23.0557 -10.8593 -8.26783 -10.8319 15.0923 TIMING: 1856800 CPU: 5943.43, 0.00319303/step Wall: 5943.43, 0.00319303/step, 2.78787 hours remaining, 231.515625 MB of memory in use. ENERGY: 1856800 3958.3811 20672.9166 14511.9225 259.5501 -203161.7225 2616.2989 0.0000 0.0000 52009.9309 -109132.7224 298.9018 -161142.6533 -108774.0277 299.8717 -87.0274 -62.7595 763228.8090 2.1069 2.2211 PRESSURE: 1857000 -241.101 145.995 263.08 145.995 124.405 157.87 263.08 157.87 -286.712 GPRESSURE: 1857000 -161.447 201.45 290.922 115.121 143.78 221.846 135.753 69.4684 -297.976 PRESSAVG: 1857000 26.3197 1.56519 -25.0184 1.56522 -35.3735 42.1828 -25.0184 42.1827 6.8921 GPRESSAVG: 1857000 25.3068 2.90072 -26.0666 1.72541 -36.0355 42.964 -26.2428 42.669 7.88022 TIMING: 1857000 CPU: 5944.07, 0.00319945/step Wall: 5944.07, 0.00319945/step, 2.7933 hours remaining, 231.515625 MB of memory in use. ENERGY: 1857000 4076.2876 20506.1511 14562.4102 244.0452 -202985.5476 2502.3788 0.0000 0.0000 52034.4472 -109059.8275 299.0427 -161094.2746 -108691.4343 299.3592 -134.4695 -105.2144 762927.7203 -0.7206 -0.9495 PRESSURE: 1857200 -16.3133 -108.763 101.717 -108.763 -234.825 -28.8749 101.718 -28.8758 471.025 GPRESSURE: 1857200 -126.75 -174.163 54.4782 -47.9973 -49.0301 28.5328 98.4329 -149.83 486.374 PRESSAVG: 1857200 44.2483 42.5501 13.5229 42.5501 9.0472 -2.11453 13.5228 -2.11459 -13.963 GPRESSAVG: 1857200 44.6448 41.0558 13.767 43.3877 10.6792 -1.40973 11.5035 -2.51133 -15.1483 TIMING: 1857200 CPU: 5944.7, 0.00317897/step Wall: 5944.7, 0.00317897/step, 2.77524 hours remaining, 231.515625 MB of memory in use. ENERGY: 1857200 4000.6629 20714.7124 14551.4742 244.6137 -203296.3769 2666.2958 0.0000 0.0000 52060.8606 -109057.7573 299.1945 -161118.6180 -108697.4371 299.8815 73.2956 103.5313 762722.7422 13.1108 13.3919 PRESSURE: 1857400 120.716 -58.6444 -75.0593 -58.6443 -348.058 54.3075 -75.0596 54.3074 165.821 GPRESSURE: 1857400 108.252 -54.205 -215.047 -68.4586 -284.049 108.044 -46.5647 -180.282 200.384 PRESSAVG: 1857400 8.88792 19.6927 -4.5324 19.6928 -42.541 31.1223 -4.53242 31.1223 -25.6794 GPRESSAVG: 1857400 8.94001 19.5301 -4.15911 20.2782 -43.4033 29.9918 -0.511104 30.2643 -25.687 TIMING: 1857400 CPU: 5945.34, 0.00318682/step Wall: 5945.34, 0.00318682/step, 2.78192 hours remaining, 231.515625 MB of memory in use. ENERGY: 1857400 4018.6061 20647.0841 14517.5302 277.7031 -203417.1300 2667.0640 0.0000 0.0000 52177.3233 -109111.8192 299.8638 -161289.1425 -108752.7128 299.8169 -20.5071 8.1957 761590.1098 -19.7775 -20.0501 PRESSURE: 1857600 133.637 -79.5408 -10.5985 -79.5409 173.907 -19.869 -10.5985 -19.8696 -111.425 GPRESSURE: 1857600 147.447 -159.525 -4.13369 -28.8341 166.484 -52.3571 -108.323 -20.6837 -49.0365 PRESSAVG: 1857600 -17.9849 -25.0774 -2.55086 -25.0774 3.42539 13.3981 -2.55089 13.3981 -24.2438 GPRESSAVG: 1857600 -16.4863 -26.0377 -2.44451 -23.7732 2.53634 14.8739 -4.17153 13.6032 -24.9356 TIMING: 1857600 CPU: 5945.97, 0.00317694/step Wall: 5945.97, 0.00317694/step, 2.77311 hours remaining, 231.515625 MB of memory in use. ENERGY: 1857600 4034.9855 20609.9996 14601.4944 249.3039 -203551.6129 2541.3303 0.0000 0.0000 52229.4370 -109285.0623 300.1633 -161514.4993 -108925.7337 299.7621 65.3730 88.2981 761439.3588 -12.9344 -12.9619 PRESSURE: 1857800 190.867 -33.3849 -58.7358 -33.3851 160.129 -74.6646 -58.7357 -74.6652 -85.0352 GPRESSURE: 1857800 243.466 -46.0038 -95.4409 -55.967 117.332 23.6761 59.0003 -36.134 0.527607 PRESSAVG: 1857800 -4.21874 -32.43 -15.1803 -32.43 -13.6011 -14.0591 -15.1804 -14.0592 5.41089 GPRESSAVG: 1857800 -5.59985 -33.0818 -15.6957 -32.6565 -13.3996 -15.0041 -14.1538 -10.2226 6.17059 TIMING: 1857800 CPU: 5946.61, 0.00316198/step Wall: 5946.61, 0.00316198/step, 2.75988 hours remaining, 231.515625 MB of memory in use. ENERGY: 1857800 3994.7696 20579.8858 14558.3539 256.2907 -203532.7112 2664.2637 0.0000 0.0000 51881.3740 -109597.7735 298.1630 -161479.1475 -109231.2287 299.1303 88.6536 120.4420 761412.7497 -4.1363 -4.2763 PRESSURE: 1858000 204.925 51.4719 3.90568 51.4721 -67.4588 19.5633 3.90575 19.5639 396.35 GPRESSURE: 1858000 272.474 46.8491 -67.7122 114.788 0.619846 -24.0356 -114.778 62.9155 332.903 PRESSAVG: 1858000 10.5992 -10.7385 -25.4973 -10.7384 7.09055 26.5209 -25.4972 26.5209 -4.39585 GPRESSAVG: 1858000 11.1023 -8.60694 -25.9207 -11.3667 6.10385 26.949 -26.3862 23.277 -4.47617 TIMING: 1858000 CPU: 5947.24, 0.00316941/step Wall: 5947.24, 0.00316941/step, 2.76619 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1858000 3992.9266 20371.7832 14587.1511 249.7978 -203167.1936 2587.8849 0.0000 0.0000 51948.3903 -109429.2597 298.5481 -161377.6500 -109068.4006 298.3511 177.9388 201.9990 761632.7902 4.4313 4.2433 PRESSURE: 1858200 -304.057 -316.83 39.6303 -316.829 -277.751 -2.12236 39.6308 -2.12174 -301.02 GPRESSURE: 1858200 -300.892 -138.552 56.6678 -144.356 -186.638 -24.5053 86.6675 74.6703 -294.479 PRESSAVG: 1858200 25.8781 -13.0956 38.0782 -13.0956 -3.85337 38.0883 38.0782 38.0883 -15.4785 GPRESSAVG: 1858200 24.4826 -12.8263 39.0849 -11.9849 -2.23367 39.0026 38.4263 37.8988 -15.8164 TIMING: 1858200 CPU: 5947.87, 0.00315291/step Wall: 5947.87, 0.00315291/step, 2.75162 hours remaining, 231.515625 MB of memory in use. ENERGY: 1858200 3997.3127 20488.0095 14500.5620 230.6883 -202992.6440 2241.7890 0.0000 0.0000 52171.2870 -109362.9954 299.8291 -161534.2824 -108997.6288 299.1659 -294.2763 -260.6696 762181.2172 2.1821 2.1442 PRESSURE: 1858400 -185.412 -94.9964 -23.2579 -94.9963 -307.099 43.8245 -23.2583 43.824 -225.141 GPRESSURE: 1858400 -180.038 -63.1335 17.1175 31.8102 -246.456 0.865424 -74.2024 65.947 -189.714 PRESSAVG: 1858400 -10.275 6.22945 -27.4944 6.22941 -1.90422 -3.93356 -27.4944 -3.93354 4.81343 GPRESSAVG: 1858400 -9.13526 4.09249 -29.9553 7.00112 -3.5224 -5.45868 -26.1551 -2.7449 4.98953 TIMING: 1858400 CPU: 5948.51, 0.0031692/step Wall: 5948.51, 0.0031692/step, 2.76565 hours remaining, 231.515625 MB of memory in use. ENERGY: 1858400 4067.9510 20421.1139 14472.5197 272.3934 -203268.6428 2391.1578 0.0000 0.0000 52466.5819 -109176.9251 301.5262 -161643.5070 -108816.8206 299.9519 -239.2175 -205.4028 762667.6066 -2.4553 -2.5560 PRESSURE: 1858600 362.641 0.0376584 58.6264 0.037694 95.0036 -10.3646 58.626 -10.3639 457.201 GPRESSURE: 1858600 392.92 51.5056 69.0065 -122.109 181.373 -76.9876 -6.76404 47.1452 426.1 PRESSAVG: 1858600 48.7174 -31.3261 48.7934 -31.3261 -10.7004 24.7056 48.7933 24.7057 -11.352 GPRESSAVG: 1858600 48.9974 -30.1005 52.0747 -34.0247 -11.1283 25.6843 47.2243 23.8954 -11.0252 TIMING: 1858600 CPU: 5949.14, 0.00315072/step Wall: 5949.14, 0.00315072/step, 2.74935 hours remaining, 231.515625 MB of memory in use. ENERGY: 1858600 3863.4243 20511.7231 14586.7981 262.5727 -203363.3561 2544.6309 0.0000 0.0000 52360.6111 -109233.5959 300.9172 -161594.2070 -108862.1387 299.7903 304.9484 333.4642 758344.0562 8.8883 8.9480 PRESSURE: 1858800 -225.84 108.182 -42.9893 108.181 -181.863 227.636 -42.9897 227.637 -97.5812 GPRESSURE: 1858800 -197.37 183.294 -47.8922 116.714 -87.3574 165.108 -81.8612 93.8058 -136.572 PRESSAVG: 1858800 18.329 19.6962 4.7589 19.6963 -28.8037 8.69125 4.75894 8.69124 0.320655 GPRESSAVG: 1858800 16.5178 18.8324 2.07051 21.2453 -26.9941 9.59222 5.66672 7.62115 0.221783 TIMING: 1858800 CPU: 5949.77, 0.00316483/step Wall: 5949.77, 0.00316483/step, 2.76149 hours remaining, 231.515625 MB of memory in use. ENERGY: 1858800 4022.5332 20499.7473 14505.9211 259.7495 -203000.5925 2130.8603 0.0000 0.0000 52199.2492 -109382.5319 299.9898 -161581.7810 -109030.9109 299.0676 -168.4282 -140.4331 760005.7656 -3.3847 -3.4182 PRESSURE: 1859000 91.2362 80.444 -123.502 80.4444 556.782 -7.50489 -123.502 -7.50506 145.017 GPRESSURE: 1859000 168.798 65.8871 -77.3353 24.3748 628.977 43.9766 -186.433 -194.339 76.4041 PRESSAVG: 1859000 -31.7587 -2.48222 16.9801 -2.48221 14.572 -9.95653 16.98 -9.9565 11.2822 GPRESSAVG: 1859000 -31.3404 -3.96204 17.3183 -0.778205 13.6293 -11.3044 18.4233 -10.2053 11.586 TIMING: 1859000 CPU: 5950.4, 0.00314724/step Wall: 5950.4, 0.00314724/step, 2.74596 hours remaining, 231.515625 MB of memory in use. ENERGY: 1859000 3969.5975 20417.3025 14514.0304 260.6213 -203468.1360 2757.9463 0.0000 0.0000 52084.3373 -109464.3007 299.3294 -161548.6380 -109098.9233 298.7923 264.3453 291.3930 759832.3710 -1.9682 -2.0417 PRESSURE: 1859200 -203.769 201.79 -103.217 201.789 -301.531 67.0803 -103.218 67.0808 -83.7328 GPRESSURE: 1859200 -162.388 141.889 9.89668 262.784 -235.06 119.462 -38.9421 100.15 -104.501 PRESSAVG: 1859200 55.8415 -64.5274 25.3064 -64.5273 -23.1093 5.98956 25.3064 5.98951 -9.20616 GPRESSAVG: 1859200 56.7858 -62.9909 26.3445 -64.3834 -22.8604 5.57759 24.968 7.37007 -10.1429 TIMING: 1859200 CPU: 5951.03, 0.00313898/step Wall: 5951.03, 0.00313898/step, 2.73858 hours remaining, 231.515625 MB of memory in use. ENERGY: 1859200 3939.8332 20407.3372 14481.2336 254.4593 -203251.1216 2629.0021 0.0000 0.0000 51838.5622 -109700.6940 297.9169 -161539.2561 -109330.2773 298.7940 -196.3443 -167.3164 762561.5656 7.8420 7.9275 PRESSURE: 1859400 17.9927 -40.3845 -150.992 -40.3849 -71.0948 -85.9991 -150.991 -85.998 -97.1422 GPRESSURE: 1859400 133.583 47.4285 -139.78 32.624 -159.719 -114.563 -124.03 -290.14 -27.1724 PRESSAVG: 1859400 1.42387 12.3026 -23.3091 12.3026 4.97885 31.5996 -23.3091 31.5997 25.0426 GPRESSAVG: 1859400 1.21081 14.9573 -23.0882 9.36928 4.70544 31.7067 -23.2853 30.7879 25.1255 TIMING: 1859400 CPU: 5951.66, 0.00315591/step Wall: 5951.66, 0.00315591/step, 2.75318 hours remaining, 231.515625 MB of memory in use. ENERGY: 1859400 3924.0876 20530.4487 14468.9023 242.1307 -202972.2398 2416.6098 0.0000 0.0000 51717.8386 -109672.2222 297.2231 -161390.0607 -109319.0009 298.2477 -50.0815 -17.7695 762517.2098 10.4818 10.3472 PRESSURE: 1859600 -212.27 25.0118 86.5237 25.0111 -529.185 -84.4083 86.5233 -84.4075 211.533 GPRESSURE: 1859600 -212.084 51.0026 43.9921 129.159 -345.805 -29.7175 94.189 -112.127 126.551 PRESSAVG: 1859600 -29.6165 42.0666 -29.2921 42.0665 58.4487 -3.76934 -29.2921 -3.76936 -28.7128 GPRESSAVG: 1859600 -29.7902 39.3333 -29.3226 44.3098 58.6582 -3.15123 -29.8871 -4.73518 -29.4501 TIMING: 1859600 CPU: 5952.29, 0.0031776/step Wall: 5952.29, 0.0031776/step, 2.77192 hours remaining, 231.515625 MB of memory in use. ENERGY: 1859600 3911.1487 20368.2170 14495.0614 250.8376 -203223.5742 2247.2574 0.0000 0.0000 52096.4252 -109854.6269 299.3989 -161951.0521 -109495.7240 298.9739 -176.6407 -143.7794 761302.9673 0.0398 -0.1940 PRESSURE: 1859800 -7.70162 -4.52291 190.914 -4.52356 -463.854 -16.2247 190.914 -16.2236 -9.0495 GPRESSURE: 1859800 -47.1164 40.1488 276.509 27.1709 -327.701 -48.3526 -32.2262 102.942 -21.7674 PRESSAVG: 1859800 9.04699 -22.0581 20.5613 -22.0581 -15.8641 -6.75451 20.5613 -6.75446 1.62768 GPRESSAVG: 1859800 8.88884 -22.4459 20.7492 -21.7172 -16.511 -7.03746 19.4117 -3.47933 1.78515 TIMING: 1859800 CPU: 5952.93, 0.00318334/step Wall: 5952.93, 0.00318334/step, 2.77675 hours remaining, 231.515625 MB of memory in use. ENERGY: 1859800 3993.0696 20436.8305 14504.1214 262.7907 -203151.6714 2426.6236 0.0000 0.0000 51837.8724 -109690.3632 297.9130 -161528.2356 -109334.4096 298.3773 -160.2017 -132.1950 761811.2876 -1.7298 -1.9457 PRESSURE: 1860000 -302.894 -185.099 55.1849 -185.099 -164.569 -21.1873 55.1852 -21.1869 -9.93935 GPRESSURE: 1860000 -299.491 -177.336 33.6463 -124.096 -124.382 -32.7547 3.68972 126.205 37.4249 PRESSAVG: 1860000 14.063 -22.1417 30.6215 -22.1417 18.209 76.9239 30.6215 76.9239 -1.91039 GPRESSAVG: 1860000 14.7696 -21.3345 29.7573 -23.186 17.7498 77.0876 32.0708 75.3521 -1.99274 TIMING: 1860000 CPU: 5953.57, 0.00320765/step Wall: 5953.57, 0.00320765/step, 2.79779 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1860000 3948.7980 20576.6761 14509.7436 257.4395 -203211.6869 2415.6337 0.0000 0.0000 51870.9511 -109632.4448 298.1031 -161503.3959 -109281.0469 298.2464 -159.1340 -128.8159 761094.2668 10.1205 10.1755 PRESSURE: 1860200 144.751 107.791 -270.293 107.792 411.875 -27.3979 -270.293 -27.3967 134.72 GPRESSURE: 1860200 206.949 149.583 -197.938 156.157 381.229 -126.268 -220.399 -143.082 176.614 PRESSAVG: 1860200 56.4738 -18.0814 -31.8871 -18.0814 -41.2671 2.76766 -31.8871 2.76774 14.7142 GPRESSAVG: 1860200 56.4889 -18.4025 -29.5862 -18.9202 -42.8906 1.39638 -31.1419 2.00159 15.5305 TIMING: 1860200 CPU: 5954.21, 0.00319632/step Wall: 5954.21, 0.00319632/step, 2.78772 hours remaining, 231.515625 MB of memory in use. ENERGY: 1860200 3990.7856 20603.9056 14574.5736 249.7183 -203592.2213 2775.9884 0.0000 0.0000 51813.5793 -109583.6705 297.7734 -161397.2499 -109217.5427 298.7279 230.4486 254.9309 759674.5578 9.9736 9.7096 LDB: ============= START OF LOAD BALANCING ============== 5966.63 LDB: ============== END OF LOAD BALANCING =============== 5966.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5966.63 LDB: ============= START OF LOAD BALANCING ============== 5966.95 LDB: Largest compute 7033 load 0.039239 is 20.1% of average load 0.195370 LDB: Average compute 0.004416 is 2.3% of average load 0.195370 LDB: TIME 5966.96 LOAD: AVG 0.19537 MAX 0.214185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.594 MB LDB: TIME 5966.96 LOAD: AVG 0.19537 MAX 0.214185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 5966.96 LOAD: AVG 0.19537 MAX 0.214185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 5966.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5966.97 PRESSURE: 1860400 -241.767 162.279 113.34 162.278 121.05 -73.666 113.34 -73.6652 -278.989 GPRESSURE: 1860400 -189.227 142.526 -0.947127 148.187 93.8306 -9.36509 65.9653 -30.089 -231.144 PRESSAVG: 1860400 -42.8369 -2.80107 -20.2714 -2.80109 65.0276 -0.660349 -20.2715 -0.660357 10.2924 GPRESSAVG: 1860400 -42.8764 -1.8349 -21.7167 -1.79757 65.9252 1.83491 -22.2087 -1.75481 9.55323 TIMING: 1860400 CPU: 5954.86, 0.0032491/step Wall: 5954.86, 0.0032491/step, 2.83358 hours remaining, 230.910156 MB of memory in use. ENERGY: 1860400 3993.1423 20551.7660 14574.5600 238.7355 -203377.8356 2510.0129 0.0000 0.0000 52008.0244 -109501.5946 298.8908 -161509.6190 -109153.0727 299.5326 -133.2353 -108.8470 761235.8019 10.8277 10.8674 PRESSURE: 1860600 -125.631 -186.021 -35.5323 -186.02 209.38 -122.782 -35.5323 -122.781 63.7234 GPRESSURE: 1860600 -66.2848 -195.323 -64.5816 -219.528 304.698 -147.765 -89.2563 -179.352 15.6286 PRESSAVG: 1860600 -41.7205 30.1106 9.30268 30.1106 48.3816 20.3945 9.30269 20.3945 5.85398 GPRESSAVG: 1860600 -42.7746 29.7684 10.4392 29.2369 49.254 20.2737 9.49245 21.7062 5.48976 TIMING: 1860600 CPU: 5955.49, 0.00316677/step Wall: 5955.49, 0.00316677/step, 2.7616 hours remaining, 231.113281 MB of memory in use. ENERGY: 1860600 3959.3486 20354.1091 14514.0262 264.9710 -203373.3044 2497.9012 0.0000 0.0000 52340.2355 -109442.7128 300.8001 -161782.9483 -109072.5648 299.2514 49.1574 84.6805 759195.8337 4.1717 3.9897 PRESSURE: 1860800 -352.991 -10.2517 171.825 -10.2518 -47.5514 150.77 171.825 150.771 -139.325 GPRESSURE: 1860800 -224.613 -9.94473 152.844 97.3305 -86.166 151.178 157.502 88.3686 -146.616 PRESSAVG: 1860800 18.8832 -57.7955 11.7035 -57.7955 -27.4336 -34.7042 11.7035 -34.7042 -17.4987 GPRESSAVG: 1860800 18.7808 -57.8486 9.77975 -57.6462 -27.5247 -35.5019 14.1962 -35.352 -17.1027 TIMING: 1860800 CPU: 5956.13, 0.00316106/step Wall: 5956.13, 0.00316106/step, 2.75645 hours remaining, 231.113281 MB of memory in use. ENERGY: 1860800 4002.9330 20386.3111 14507.1341 271.3620 -202904.4810 2400.0291 0.0000 0.0000 51869.8245 -109466.8873 298.0966 -161336.7118 -109106.5174 299.1614 -179.9558 -152.4650 761211.6860 -8.6830 -8.6155 PRESSURE: 1861000 337.011 -1.64159 -93.3008 -1.64163 -120.588 94.7026 -93.3002 94.702 -220.801 GPRESSURE: 1861000 345.306 -12.406 -112.382 52.4733 -11.8063 85.9274 -94.0214 118.405 -237.765 PRESSAVG: 1861000 53.1885 -16.1767 56.2402 -16.1767 -20.4974 29.8523 56.2402 29.8523 12.5161 GPRESSAVG: 1861000 53.4913 -17.8987 55.7374 -17.2411 -20.6053 30.5605 54.8949 31.2818 12.7796 TIMING: 1861000 CPU: 5956.76, 0.00317554/step Wall: 5956.76, 0.00317554/step, 2.7689 hours remaining, 231.113281 MB of memory in use. ENERGY: 1861000 3978.2408 20528.5274 14522.0001 240.6308 -203622.5554 2647.3151 0.0000 0.0000 52243.1287 -109462.7125 300.2420 -161705.8412 -109096.3875 299.0622 -1.4595 31.9116 759523.4415 15.0690 15.2219 PRESSURE: 1861200 -167.855 -228.76 -22.1054 -228.761 12.1338 131.146 -22.1056 131.146 49.2112 GPRESSURE: 1861200 -137.313 -107.479 70.9852 -201.143 38.661 183.435 -57.5265 83.1126 90.4837 PRESSAVG: 1861200 8.26253 -44.6847 37.3036 -44.6847 -11.3675 -4.05449 37.3035 -4.05447 20.6111 GPRESSAVG: 1861200 8.84943 -44.5777 39.4086 -45.6697 -11.6795 -4.14257 35.0946 -5.204 20.3698 TIMING: 1861200 CPU: 5957.39, 0.00316673/step Wall: 5957.39, 0.00316673/step, 2.76103 hours remaining, 231.113281 MB of memory in use. ENERGY: 1861200 3976.2566 20647.6322 14515.9265 234.3181 -203329.9529 2614.4479 0.0000 0.0000 51819.1391 -109522.2325 297.8053 -161341.3715 -109163.7930 299.3473 -35.5033 -2.7228 761858.4931 5.8354 5.8466 PRESSURE: 1861400 99.1268 179.062 -23.5033 179.061 -165.574 -31.1408 -23.503 -31.1406 296.544 GPRESSURE: 1861400 146.275 162.863 -2.84896 118.09 -92.3116 15.5062 -92.2197 -51.4928 252.158 PRESSAVG: 1861400 13.0725 -15.4991 -17.172 -15.4991 -27.9416 -8.06818 -17.172 -8.06819 -4.79339 GPRESSAVG: 1861400 14.0525 -15.7062 -18.683 -13.9489 -27.4359 -7.19641 -14.7016 -8.66498 -6.6636 TIMING: 1861400 CPU: 5958.03, 0.00320206/step Wall: 5958.03, 0.00320206/step, 2.79167 hours remaining, 231.113281 MB of memory in use. ENERGY: 1861400 3971.7419 20633.3828 14469.8995 253.2202 -203610.4526 2608.4094 0.0000 0.0000 52157.7177 -109516.0811 299.7511 -161673.7988 -109162.4578 299.1356 76.6990 102.0405 762297.3283 -6.5541 -6.6823 PRESSURE: 1861600 188.343 12.0322 12.0193 12.0324 4.52657 -156.23 12.0195 -156.23 -73.8192 GPRESSURE: 1861600 115.564 52.5526 -3.04852 1.65846 86.8112 -6.73556 27.1865 -100.242 1.11088 PRESSAVG: 1861600 0.832749 48.2963 -12.7839 48.2963 -28.1573 -2.23465 -12.7839 -2.23466 19.3062 GPRESSAVG: 1861600 -1.63524 48.7802 -12.8721 47.5001 -26.4359 -2.10743 -14.9355 -1.95056 20.1458 TIMING: 1861600 CPU: 5958.67, 0.00319065/step Wall: 5958.67, 0.00319065/step, 2.78154 hours remaining, 231.113281 MB of memory in use. ENERGY: 1861600 4058.4422 20601.2851 14491.7396 234.0801 -203739.7468 2951.3317 0.0000 0.0000 51731.3731 -109671.4951 297.3009 -161402.8681 -109314.9002 299.1610 39.6833 67.8289 760396.3784 -2.6728 -2.6418 PRESSURE: 1861800 -351.302 78.8036 -27.7589 78.8033 -187.291 -65.9877 -27.7584 -65.9873 -358.404 GPRESSURE: 1861800 -336.599 12.2979 -15.6504 94.4331 -204.145 -152.67 37.3302 -19.1415 -281.8 PRESSAVG: 1861800 -14.6825 -33.0671 -2.20253 -33.067 -40.5819 -19.1322 -2.2025 -19.1322 -6.73698 GPRESSAVG: 1861800 -14.545 -32.749 -2.23871 -33.5741 -41.5805 -20.1108 -1.44449 -18.1007 -6.19275 TIMING: 1861800 CPU: 5959.31, 0.00316657/step Wall: 5959.31, 0.00316657/step, 2.76037 hours remaining, 231.113281 MB of memory in use. ENERGY: 1861800 3995.2098 20649.4385 14490.6581 243.3756 -203859.5299 2726.9886 0.0000 0.0000 51997.1918 -109756.6673 298.8286 -161753.8591 -109415.4822 298.0449 -298.9991 -274.1813 763191.3873 -20.6671 -20.7727 PRESSURE: 1862000 -9.35274 120.077 62.4069 120.077 -71.8815 153.734 62.4064 153.733 -309.477 GPRESSURE: 1862000 -7.37882 25.0149 -19.6878 87.7126 -30.6549 173.398 -15.4477 21.186 -252.808 PRESSAVG: 1862000 5.5346 -36.6449 6.57863 -36.6449 9.4417 -11.832 6.57864 -11.832 18.4337 GPRESSAVG: 1862000 5.46604 -37.5843 7.10994 -35.6276 9.29234 -12.1086 6.56474 -12.6223 18.9669 TIMING: 1862000 CPU: 5959.94, 0.0031878/step Wall: 5959.94, 0.0031878/step, 2.7787 hours remaining, 231.113281 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: 1862000 3997.9752 20803.2598 14545.6967 245.1729 -203447.9468 2528.2511 0.0000 0.0000 51873.8394 -109453.7518 298.1197 -161327.5912 -109084.5683 298.8374 -130.2370 -96.9472 762052.0088 11.1367 11.2418 PRESSURE: 1862200 207.089 -36.3883 335.781 -36.3873 198.927 -169.441 335.781 -169.442 22.1557 GPRESSURE: 1862200 311.844 95.1205 276.907 -53.1757 205.576 -183.039 211.793 -43.6767 6.06023 PRESSAVG: 1862200 19.7807 -5.70667 -0.42479 -5.70663 -3.70813 15.1752 -0.424822 15.1751 6.84625 GPRESSAVG: 1862200 21.4684 -5.22227 -2.05158 -5.60621 -4.64635 15.5176 -0.107886 16.2735 6.49421 TIMING: 1862200 CPU: 5960.58, 0.00317268/step Wall: 5960.58, 0.00317268/step, 2.76534 hours remaining, 231.113281 MB of memory in use. ENERGY: 1862200 3941.2618 20627.7456 14447.1825 250.0971 -203246.1812 2391.8514 0.0000 0.0000 52209.1007 -109378.9421 300.0464 -161588.0428 -109021.7977 299.5191 142.7239 174.4937 760427.4032 7.6396 7.7721 PRESSURE: 1862400 -353.484 -64.446 -95.6681 -64.4458 -170.264 225.379 -95.6673 225.379 20.3917 GPRESSURE: 1862400 -294.118 2.52479 -147.394 -121.862 -107.695 258.902 -46.2047 -59.5256 -14.3499 PRESSAVG: 1862400 27.8685 -35.9314 -8.2049 -35.9314 -28.4395 -13.8221 -8.20487 -13.8221 -3.77356 GPRESSAVG: 1862400 28.6853 -35.2854 -9.20089 -36.9992 -28.7213 -13.3979 -7.80926 -14.7477 -3.76021 TIMING: 1862400 CPU: 5961.21, 0.00316466/step Wall: 5961.21, 0.00316466/step, 2.75818 hours remaining, 231.113281 MB of memory in use. ENERGY: 1862400 4001.8097 20584.6986 14430.7416 269.3062 -203319.4394 2415.0256 0.0000 0.0000 52164.3699 -109453.4878 299.7894 -161617.8577 -109074.3961 299.1736 -167.7854 -138.7210 761784.5885 -1.4482 -1.2654 PRESSURE: 1862600 72.397 -37.8577 104.013 -37.8572 -7.40259 62.3581 104.013 62.3569 -198.719 GPRESSURE: 1862600 87.457 -169.057 153.589 -100.337 25.3372 47.3745 39.9325 49.4321 -155.95 PRESSAVG: 1862600 -6.0437 -6.16262 -18.1143 -6.16265 41.866 -9.6858 -18.1143 -9.68591 27.3675 GPRESSAVG: 1862600 -6.17828 -7.97793 -16.1722 -3.51078 42.5769 -10.245 -17.7514 -9.70693 26.5731 TIMING: 1862600 CPU: 5961.84, 0.00314931/step Wall: 5961.84, 0.00314931/step, 2.74462 hours remaining, 231.113281 MB of memory in use. ENERGY: 1862600 4041.8832 20663.5644 14482.1347 266.3733 -203775.4799 2886.1048 0.0000 0.0000 52118.7615 -109316.6580 299.5272 -161435.4195 -108949.7243 299.6820 -44.5750 -14.3851 761257.4902 21.0632 20.9906 PRESSURE: 1862800 -199.463 78.7097 -0.906769 78.7102 266.713 -236.818 -0.906871 -236.819 -188.414 GPRESSURE: 1862800 -175.951 1.15483 -82.7645 62.8914 296.386 -180.401 31.5029 -140.773 -131.519 PRESSAVG: 1862800 -46.4002 41.4809 6.32816 41.481 43.9279 24.0191 6.32812 24.0191 -3.81898 GPRESSAVG: 1862800 -45.8843 40.5883 6.18101 39.8099 42.509 24.1379 7.18599 22.7529 -2.68793 TIMING: 1862800 CPU: 5962.48, 0.00318203/step Wall: 5962.48, 0.00318203/step, 2.77296 hours remaining, 231.113281 MB of memory in use. ENERGY: 1862800 4046.8640 20714.6644 14503.4110 230.8807 -203513.3252 2612.2066 0.0000 0.0000 52138.6097 -109266.6889 299.6413 -161405.2986 -108915.3454 299.2973 -40.3880 -3.6948 762364.0536 -2.0971 -2.0211 PRESSURE: 1863000 -16.3265 -90.1076 7.56528 -90.1077 -36.1603 -49.7096 7.56473 -49.7097 -233.334 GPRESSURE: 1863000 -26.2071 -10.6452 -49.0675 -18.2465 -7.32313 -104.296 21.5177 -20.1131 -171.498 PRESSAVG: 1863000 -32.2148 32.7712 46.1683 32.7711 43.6959 28.1804 46.1683 28.1804 -14.8671 GPRESSAVG: 1863000 -32.7533 33.1957 46.3329 33.5644 45.944 28.0447 44.9628 28.3569 -16.0182 TIMING: 1863000 CPU: 5963.11, 0.00318325/step Wall: 5963.11, 0.00318325/step, 2.77385 hours remaining, 231.113281 MB of memory in use. ENERGY: 1863000 3986.8386 20585.6972 14590.2650 257.9094 -203177.3244 2397.8057 0.0000 0.0000 52048.3225 -109310.4860 299.1224 -161358.8085 -108950.1297 299.4100 -95.2736 -68.3427 761445.3265 -1.1286 -0.9425 PRESSURE: 1863200 -441.481 38.1283 -23.4681 38.1289 -70.7102 241.597 -23.468 241.597 -225.44 GPRESSURE: 1863200 -292.71 19.2651 25.4202 -19.4321 -176.158 306.391 99.4358 107.928 -176.521 PRESSAVG: 1863200 -35.449 -54.0434 6.72403 -54.0435 58.097 33.2508 6.724 33.2508 -8.95124 GPRESSAVG: 1863200 -34.1121 -54.8032 6.96923 -54.4145 57.7651 33.8515 6.77706 34.1825 -9.88466 TIMING: 1863200 CPU: 5963.75, 0.00318246/step Wall: 5963.75, 0.00318246/step, 2.77298 hours remaining, 231.113281 MB of memory in use. ENERGY: 1863200 3960.5058 20614.9589 14514.1493 248.7879 -203475.4392 2654.2328 0.0000 0.0000 51829.1912 -109653.6134 297.8631 -161482.8046 -109303.2404 298.8225 -245.8769 -215.1295 760878.2298 4.5656 4.5894 PRESSURE: 1863400 12.7102 263.413 -9.00961 263.413 96.632 -210.643 -9.00926 -210.644 48.7341 GPRESSURE: 1863400 85.4261 242.749 -55.7434 226.312 112.526 -243.562 -3.1739 -162.026 32.3254 PRESSAVG: 1863400 0.693057 17.6939 17.9064 17.6938 -20.0351 5.97522 17.9064 5.97532 -3.51271 GPRESSAVG: 1863400 -0.593391 20.5587 16.6373 15.5809 -20.9161 5.30419 18.3715 4.95918 -1.9245 TIMING: 1863400 CPU: 5964.39, 0.00318382/step Wall: 5964.39, 0.00318382/step, 2.77399 hours remaining, 231.113281 MB of memory in use. ENERGY: 1863400 4018.8041 20459.6632 14479.4632 244.9728 -203367.9505 2454.2667 0.0000 0.0000 51829.5923 -109881.1882 297.8654 -161710.7806 -109528.7675 297.9347 52.6921 76.7593 760263.4826 -7.6183 -7.8113 PRESSURE: 1863600 -55.5137 -94.102 -248.693 -94.1025 -97.9152 41.2663 -248.693 41.2661 -185.978 GPRESSURE: 1863600 -58.8485 -250.108 -203.369 -12.1698 21.9357 146.571 -187.617 61.3961 -212.722 PRESSAVG: 1863600 18.1895 -14.8412 67.8621 -14.8412 27.1245 -20.0239 67.862 -20.0238 33.7755 GPRESSAVG: 1863600 18.2393 -16.4615 68.0391 -12.2128 27.4681 -19.6412 66.0361 -18.9568 33.5895 TIMING: 1863600 CPU: 5965.02, 0.00318678/step Wall: 5965.02, 0.00318678/step, 2.77639 hours remaining, 231.113281 MB of memory in use. ENERGY: 1863600 3966.6382 20562.3873 14414.3563 238.3154 -203271.2256 2335.6946 0.0000 0.0000 51814.3817 -109939.4521 297.7780 -161753.8338 -109594.2811 297.8522 -113.1355 -83.2117 760608.6586 26.3632 26.4323 PRESSURE: 1863800 22.0431 116.799 -130.241 116.799 7.83005 -28.313 -130.241 -28.3133 -6.72044 GPRESSURE: 1863800 43.5656 16.2541 -146.616 100.229 55.5851 15.358 -69.0359 -254.356 -7.23854 PRESSAVG: 1863800 15.1305 19.5564 2.22791 19.5564 -7.68173 5.52462 2.22793 5.52463 19.5564 GPRESSAVG: 1863800 14.2567 19.624 3.43583 16.7924 -7.8291 4.21058 2.51817 4.77253 20.7746 TIMING: 1863800 CPU: 5965.66, 0.00318512/step Wall: 5965.66, 0.00318512/step, 2.77477 hours remaining, 231.113281 MB of memory in use. ENERGY: 1863800 3968.3141 20351.4773 14482.1410 235.3535 -203378.0395 2316.5682 0.0000 0.0000 52098.7536 -109925.4317 299.4123 -162024.1853 -109565.2840 298.3308 7.7176 30.6374 761868.1731 9.0017 9.0674 PRESSURE: 1864000 187.646 52.0705 -60.2107 52.0709 437.316 144.24 -60.2104 144.241 -111.363 GPRESSURE: 1864000 203.865 34.9243 -113.235 212.516 483.501 231.857 -79.9034 -21.3821 -126.868 PRESSAVG: 1864000 -13.3452 4.20715 -15.1742 4.20717 14.9652 -16.4812 -15.1743 -16.4812 -5.94217 GPRESSAVG: 1864000 -12.4786 5.06189 -13.9501 5.79776 16.1789 -16.3119 -16.3838 -17.2437 -7.95077 TIMING: 1864000 CPU: 5966.3, 0.00318468/step Wall: 5966.3, 0.00318468/step, 2.77421 hours remaining, 231.113281 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: 1864000 3928.6215 20398.8483 14549.0966 234.9450 -203516.7702 2723.0237 0.0000 0.0000 51842.5040 -109839.7311 297.9396 -161682.2350 -109486.6400 298.1825 171.1996 186.8326 761180.2786 -1.4407 -1.4168 PRESSURE: 1864200 64.4764 -29.1873 -23.1764 -29.1872 -186.047 276.144 -23.1773 276.144 -513.955 GPRESSURE: 1864200 119.187 -28.2531 61.7961 -110.578 -150.653 192.251 -10.8182 94.6468 -509.773 PRESSAVG: 1864200 -4.6471 -3.75625 -35.546 -3.75617 24.8444 -3.88053 -35.546 -3.88048 -8.02493 GPRESSAVG: 1864200 -4.33151 -2.79847 -36.7924 -3.57124 23.9865 -6.30406 -34.5468 -0.837672 -8.04633 TIMING: 1864200 CPU: 5966.94, 0.0031885/step Wall: 5966.94, 0.0031885/step, 2.77736 hours remaining, 231.113281 MB of memory in use. ENERGY: 1864200 3987.0260 20411.7877 14476.8700 246.7947 -203367.7726 2694.3281 0.0000 0.0000 51811.8808 -109739.0854 297.7636 -161550.9662 -109381.5610 297.9059 -211.8421 -180.4129 761826.0847 4.0575 3.8696 LDB: ============= START OF LOAD BALANCING ============== 5979.36 LDB: ============== END OF LOAD BALANCING =============== 5979.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5979.36 LDB: ============= START OF LOAD BALANCING ============== 5979.68 LDB: Largest compute 7033 load 0.038286 is 19.6% of average load 0.195460 LDB: Average compute 0.004415 is 2.3% of average load 0.195460 LDB: TIME 5979.68 LOAD: AVG 0.19546 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.859 MB LDB: TIME 5979.68 LOAD: AVG 0.19546 MAX 0.215075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.883 MB LDB: TIME 5979.68 LOAD: AVG 0.19546 MAX 0.215075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.883 MB LDB: ============== END OF LOAD BALANCING =============== 5979.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5979.69 PRESSURE: 1864400 -343.122 38.053 -64.1146 38.0532 -145.161 -53.7886 -64.1139 -53.7886 -94.8712 GPRESSURE: 1864400 -320.063 -29.7984 -42.5314 -171.589 -77.8126 21.1725 -165.876 46.6672 -85.9866 PRESSAVG: 1864400 -0.178686 11.4968 -13.0606 11.4968 -9.55266 3.8366 -13.0605 3.83659 17.8108 GPRESSAVG: 1864400 0.156323 10.6435 -12.3346 11.7226 -10.3107 8.29012 -12.6822 1.62786 18.6193 TIMING: 1864400 CPU: 5967.58, 0.00323579/step Wall: 5967.58, 0.00323579/step, 2.81838 hours remaining, 232.144531 MB of memory in use. ENERGY: 1864400 4018.3550 20454.6581 14420.8896 263.4267 -202532.7665 2160.9774 0.0000 0.0000 51599.7925 -109614.6670 296.5447 -161214.4596 -109253.3208 298.7943 -194.3848 -161.2874 762570.5124 2.6931 2.8216 PRESSURE: 1864600 -51.4532 183.34 -57.3778 183.341 -403.563 100.677 -57.3785 100.677 -67.2272 GPRESSURE: 1864600 -82.625 184.215 -35.8617 176.155 -270.665 65.3813 75.1323 97.1135 -88.9899 PRESSAVG: 1864600 23.6834 0.549831 13.9044 0.549814 3.73259 37.3085 13.9045 37.3085 -2.82072 GPRESSAVG: 1864600 23.4613 -1.53046 11.088 2.97474 3.55643 37.7274 14.8651 36.8702 -2.48245 TIMING: 1864600 CPU: 5968.21, 0.00315066/step Wall: 5968.21, 0.00315066/step, 2.74405 hours remaining, 232.214844 MB of memory in use. ENERGY: 1864600 3957.5911 20300.2710 14459.5718 264.7030 -202800.1595 2136.3956 0.0000 0.0000 52140.1568 -109541.4701 299.6502 -161681.6269 -109183.5612 298.2911 -174.0810 -147.4266 762141.1351 8.1984 8.1784 PRESSURE: 1864800 148.227 -126.87 -151.544 -126.87 -3.87994 -69.4954 -151.544 -69.4965 213.622 GPRESSURE: 1864800 71.4354 -16.0391 -96.3866 -97.9548 169.846 -138.307 -131.245 6.83141 192.348 PRESSAVG: 1864800 4.94509 11.1009 -34.6579 11.1008 4.59596 37.0202 -34.6579 37.0201 9.63835 GPRESSAVG: 1864800 4.30374 12.0754 -32.8101 9.60283 4.60672 34.6848 -35.3542 37.2809 10.4197 TIMING: 1864800 CPU: 5968.84, 0.00314796/step Wall: 5968.84, 0.00314796/step, 2.74153 hours remaining, 232.214844 MB of memory in use. ENERGY: 1864800 3897.8306 20439.8144 14527.9472 238.0390 -203102.5867 2506.7680 0.0000 0.0000 51731.7658 -109760.4218 297.3032 -161492.1876 -109409.6770 298.0658 119.3230 144.5431 760485.9351 6.3931 6.4434 PRESSURE: 1865000 7.9459 -151.038 -150.682 -151.038 3.62796 -38.4347 -150.682 -38.4351 -140.853 GPRESSURE: 1865000 40.0854 -101.031 -138.656 -118.456 13.0404 -119.084 -190.174 -135.621 -82.4811 PRESSAVG: 1865000 26.8693 -36.0411 12.8633 -36.041 -54.1885 -41.3528 12.8632 -41.3528 8.39143 GPRESSAVG: 1865000 27.436 -36.9609 13.8378 -35.0849 -53.9122 -40.2373 12.227 -40.5657 7.12818 TIMING: 1865000 CPU: 5969.48, 0.00318537/step Wall: 5969.48, 0.00318537/step, 2.77393 hours remaining, 232.214844 MB of memory in use. ENERGY: 1865000 3938.6421 20471.7158 14468.5162 235.7746 -203412.4382 2695.8717 0.0000 0.0000 51859.7702 -109742.1477 298.0388 -161601.9179 -109392.1170 298.1268 -43.0932 -9.7851 761001.7350 -6.3092 -6.4493 PRESSURE: 1865200 -166.512 -138.715 113.378 -138.714 -265.181 21.4239 113.378 21.4237 -30.554 GPRESSURE: 1865200 -159.212 -232.785 53.5231 -75.5129 -228.282 7.79938 288.744 -62.278 -10.513 PRESSAVG: 1865200 13.1112 -42.1413 3.90226 -42.1413 1.97138 10.3362 3.90221 10.3362 3.34692 GPRESSAVG: 1865200 13.8654 -41.6233 2.52262 -43.302 0.399157 11.7546 5.90034 7.47124 4.19748 TIMING: 1865200 CPU: 5970.12, 0.00319179/step Wall: 5970.12, 0.00319179/step, 2.77934 hours remaining, 232.214844 MB of memory in use. ENERGY: 1865200 3964.3294 20351.8790 14473.1424 258.5337 -203102.6208 2385.2854 0.0000 0.0000 51871.0847 -109798.3661 298.1038 -161669.4508 -109436.8805 298.4558 -154.0822 -132.6690 762336.5322 6.1432 6.1540 PRESSURE: 1865400 -17.5595 -183.075 -97.3054 -183.076 -304.313 -8.831 -97.3058 -8.83101 -49.0011 GPRESSURE: 1865400 41.8608 -180.327 -41.8762 -134.894 -319.258 59.2264 -146.318 225.905 -19.3224 PRESSAVG: 1865400 6.28394 -42.3346 -70.563 -42.3346 -5.89591 6.74278 -70.563 6.74272 -5.25889 GPRESSAVG: 1865400 4.55272 -40.7377 -71.7755 -43.7029 -3.88274 5.7992 -71.0637 7.66935 -5.66549 TIMING: 1865400 CPU: 5970.75, 0.00318354/step Wall: 5970.75, 0.00318354/step, 2.77198 hours remaining, 232.214844 MB of memory in use. ENERGY: 1865400 3891.4306 20393.2479 14509.4816 255.1070 -202781.0725 2210.7770 0.0000 0.0000 51872.8762 -109648.1523 298.1141 -161521.0285 -109294.0848 297.8547 -123.6245 -98.9065 762211.5070 -1.6236 -1.6652 PRESSURE: 1865600 -241.634 72.1668 -82.2586 72.1676 128.691 128.317 -82.2584 128.317 489.039 GPRESSURE: 1865600 -197.163 57.4029 -80.9501 69.9508 173.409 21.8702 -122.413 183.65 461.527 PRESSAVG: 1865600 32.0318 -3.21304 -7.95033 -3.21306 -20.262 3.44815 -7.95039 3.44808 0.67304 GPRESSAVG: 1865600 33.8403 -3.48492 -6.78378 -2.34505 -21.0146 0.698617 -8.6917 5.64999 0.325801 TIMING: 1865600 CPU: 5971.39, 0.0031656/step Wall: 5971.39, 0.0031656/step, 2.75618 hours remaining, 232.214844 MB of memory in use. ENERGY: 1865600 3995.1076 20346.8649 14381.8692 246.4319 -202898.2274 2165.9377 0.0000 0.0000 52147.1975 -109614.8186 299.6907 -161762.0161 -109252.4261 299.0628 125.3653 145.9242 761271.9705 4.1476 4.3839 PRESSURE: 1865800 344.351 151.587 -2.08762 151.586 -189.458 -260.72 -2.08747 -260.718 101.997 GPRESSURE: 1865800 307.552 2.36988 -9.69114 117.889 -28.3709 -274.711 7.46863 -207.805 69.4379 PRESSAVG: 1865800 -16.3525 -20.8282 -0.962365 -20.8282 0.0210683 -40.2654 -0.962367 -40.2654 -28.6123 GPRESSAVG: 1865800 -17.1687 -22.7698 -0.664227 -21.5885 0.336565 -40.2814 -0.735028 -40.4149 -28.4284 TIMING: 1865800 CPU: 5972.02, 0.00317629/step Wall: 5972.02, 0.00317629/step, 2.76532 hours remaining, 232.214844 MB of memory in use. ENERGY: 1865800 4009.5359 20366.6033 14489.2700 250.4661 -203298.0834 2534.1336 0.0000 0.0000 52072.8586 -109575.2159 299.2634 -161648.0744 -109223.8226 298.8457 85.6303 116.2062 761047.6787 -14.9813 -15.0868 PRESSURE: 1866000 -93.0371 16.2375 129.153 16.2378 174.767 -177.842 129.153 -177.842 -213.689 GPRESSURE: 1866000 12.0727 28.7119 101.921 -82.4652 119.818 -237.853 -59.9648 -126.318 -180.35 PRESSAVG: 1866000 -21.2526 -67.2061 -8.96613 -67.2061 9.47234 -34.1636 -8.96612 -34.1636 -2.84858 GPRESSAVG: 1866000 -20.9832 -67.0179 -8.21008 -66.3815 9.6078 -34.1113 -11.8333 -34.146 -2.36915 TIMING: 1866000 CPU: 5972.66, 0.003181/step Wall: 5972.66, 0.003181/step, 2.76924 hours remaining, 232.214844 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: 1866000 3954.5342 20580.4422 14457.0731 233.8482 -202849.3220 2193.0323 0.0000 0.0000 51846.0784 -109584.3136 297.9601 -161430.3920 -109212.8168 299.1275 -43.9863 -16.1533 761771.9894 -4.8763 -4.5815 PRESSURE: 1866200 64.9692 -3.37591 -64.6434 -3.37506 35.3416 49.703 -64.6434 49.7024 405.219 GPRESSURE: 1866200 157.572 51.7516 -95.4107 26.693 29.5415 80.5083 -4.22266 -25.7215 409.789 PRESSAVG: 1866200 -36.8851 -36.0396 -15.652 -36.0396 -11.0414 66.8936 -15.652 66.8936 10.2334 GPRESSAVG: 1866200 -36.0389 -35.7884 -15.4095 -34.0728 -11.8445 69.3032 -14.0563 63.9181 10.457 TIMING: 1866200 CPU: 5973.3, 0.00318028/step Wall: 5973.3, 0.00318028/step, 2.76843 hours remaining, 232.214844 MB of memory in use. ENERGY: 1866200 3894.0783 20499.4265 14480.5933 231.1990 -203276.4997 2564.7783 0.0000 0.0000 52133.9546 -109472.4696 299.6146 -161606.4242 -109103.7612 299.0259 168.5099 198.9673 760917.1068 -12.5644 -12.4755 PRESSURE: 1866400 93.7055 28.7171 153.891 28.7176 -498.488 -82.0191 153.892 -82.0184 -165.719 GPRESSURE: 1866400 110.45 -36.4912 151.246 -11.9943 -444.789 -164.714 114.987 14.8528 -126.359 PRESSAVG: 1866400 11.7815 -36.433 46.2601 -36.4331 -24.8015 -0.392762 46.26 -0.392749 2.10482 GPRESSAVG: 1866400 12.2272 -36.6107 46.027 -35.9718 -25.4418 -2.41292 45.1836 2.56872 2.35908 TIMING: 1866400 CPU: 5973.93, 0.00318609/step Wall: 5973.93, 0.00318609/step, 2.77332 hours remaining, 232.214844 MB of memory in use. ENERGY: 1866400 3941.6586 20536.0155 14470.0333 242.2812 -202793.3153 2075.9221 0.0000 0.0000 52069.1155 -109458.2890 299.2419 -161527.4046 -109090.0560 299.2730 -190.1670 -153.5658 762860.4862 -3.6384 -3.6185 PRESSURE: 1866600 -47.4192 107.257 -160.532 107.258 151.137 77.4588 -160.533 77.4589 156.542 GPRESSURE: 1866600 53.0817 78.1532 -138.311 86.4771 87.4925 110.117 -77.1786 148.808 189.732 PRESSAVG: 1866600 0.204581 14.0825 41.9595 14.0825 21.9848 7.00584 41.9595 7.00592 -2.12387 GPRESSAVG: 1866600 -0.044073 13.5889 41.6702 13.8383 22.1876 7.66418 44.9562 6.64775 -2.51706 TIMING: 1866600 CPU: 5974.57, 0.00318953/step Wall: 5974.57, 0.00318953/step, 2.77613 hours remaining, 232.214844 MB of memory in use. ENERGY: 1866600 3967.2895 20600.9936 14443.5106 236.1901 -203348.5109 2524.0258 0.0000 0.0000 52028.0131 -109548.4882 299.0057 -161576.5013 -109196.4782 299.1954 86.7534 110.1021 761410.3807 6.6885 6.5422 PRESSURE: 1866800 225.446 13.1693 27.8658 13.1689 -355.95 -117.506 27.8655 -117.506 -451.841 GPRESSURE: 1866800 199.962 -157.159 -10.5832 66.9739 -320.329 -168.966 -47.2467 -44.4018 -379.27 PRESSAVG: 1866800 48.6919 24.4114 30.5708 24.4113 -25.8988 -5.01267 30.5707 -5.01273 18.2921 GPRESSAVG: 1866800 47.8674 26.4223 30.7905 23.2069 -24.6031 -5.17364 28.9384 -5.60268 18.6443 TIMING: 1866800 CPU: 5975.21, 0.00319496/step Wall: 5975.21, 0.00319496/step, 2.78068 hours remaining, 232.214844 MB of memory in use. ENERGY: 1866800 4011.9932 20512.6632 14462.2486 253.6225 -203374.3199 2432.8066 0.0000 0.0000 52147.2001 -109553.7858 299.6907 -161700.9859 -109194.4100 299.0317 -194.1151 -166.5455 762218.1241 13.6951 13.9695 PRESSURE: 1867000 -537.412 197.085 24.2221 197.084 -452.182 7.7877 24.2211 7.78752 -397.431 GPRESSURE: 1867000 -543.758 177.267 13.9134 146.231 -446.91 -70.5501 15.8786 72.181 -301.221 PRESSAVG: 1867000 -16.9531 10.3116 8.52065 10.3116 11.6927 27.1843 8.52059 27.1843 2.4899 GPRESSAVG: 1867000 -16.3415 10.0368 7.75747 9.1456 10.8417 27.3342 9.74853 28.3083 2.80545 TIMING: 1867000 CPU: 5975.85, 0.00321178/step Wall: 5975.85, 0.00321178/step, 2.79514 hours remaining, 232.214844 MB of memory in use. ENERGY: 1867000 4061.6872 20450.4522 14525.7248 246.1773 -202717.5847 2003.1267 0.0000 0.0000 51752.3597 -109678.0567 297.4215 -161430.4165 -109324.4932 298.7453 -462.3416 -430.6298 762525.4291 -0.9235 -0.8981 PRESSURE: 1867200 -379.193 -23.1009 -180.113 -23.101 -355.338 38.1935 -180.113 38.1923 -135.407 GPRESSURE: 1867200 -296.48 -10.333 -150.115 -80.0235 -335.414 114.399 -187.439 62.094 -157.644 PRESSAVG: 1867200 -36.7378 -22.2449 71.1697 -22.2448 92.1364 8.64652 71.1696 8.64659 -7.10609 GPRESSAVG: 1867200 -36.4894 -22.9333 71.1293 -21.8731 91.7206 9.29508 71.2536 6.41089 -7.12455 TIMING: 1867200 CPU: 5976.49, 0.00321368/step Wall: 5976.49, 0.00321368/step, 2.79662 hours remaining, 232.214844 MB of memory in use. ENERGY: 1867200 4032.0816 20454.4093 14475.3639 245.1244 -203382.5489 2286.3226 0.0000 0.0000 52145.2724 -109743.9747 299.6796 -161889.2471 -109382.1775 298.2613 -289.9790 -263.1790 760773.1912 16.0975 16.0356 PRESSURE: 1867400 153.664 23.9007 124.44 23.9005 -330.497 97.7672 124.441 97.7677 -209.563 GPRESSURE: 1867400 135.73 87.0933 17.7748 86.0934 -298.221 69.6136 181.65 96.8803 -122.531 PRESSAVG: 1867400 10.4516 -54.3689 -12.9475 -54.369 4.78151 -41.9894 -12.9475 -41.9894 30.7748 GPRESSAVG: 1867400 10.9067 -52.9609 -12.3544 -53.835 5.27597 -41.1396 -13.6865 -41.5444 29.9794 TIMING: 1867400 CPU: 5977.14, 0.00321763/step Wall: 5977.14, 0.00321763/step, 2.79988 hours remaining, 232.214844 MB of memory in use. ENERGY: 1867400 4006.5919 20481.5896 14499.2162 247.9246 -203351.0306 2367.8153 0.0000 0.0000 51867.3544 -109880.5385 298.0824 -161747.8930 -109531.3864 298.5823 -128.7986 -95.0077 759849.3451 15.3360 15.3873 PRESSURE: 1867600 -407.528 -114.251 -87.7725 -114.251 -32.3111 -79.0356 -87.7718 -79.0365 76.343 GPRESSURE: 1867600 -398.321 -132.162 -62.257 -63.5264 -21.184 -81.7566 -69.4671 -1.67885 140.57 PRESSAVG: 1867600 -19.0605 -13.2131 19.4823 -13.2131 -15.5061 -25.1785 19.4823 -25.1785 4.57525 GPRESSAVG: 1867600 -19.7464 -14.1556 19.3501 -13.3045 -14.8842 -26.589 19.6017 -25.0035 4.89597 TIMING: 1867600 CPU: 5977.78, 0.00320337/step Wall: 5977.78, 0.00320337/step, 2.78729 hours remaining, 232.214844 MB of memory in use. ENERGY: 1867600 3991.0521 20642.5696 14524.4163 243.0772 -203493.5079 2587.1041 0.0000 0.0000 51989.0672 -109516.2213 298.7819 -161505.2886 -109163.1240 299.1137 -121.1652 -92.9784 761711.1174 -9.9971 -9.9115 PRESSURE: 1867800 28.5808 -17.4929 -101.16 -17.4924 -153.219 100.247 -101.159 100.247 191.072 GPRESSURE: 1867800 -7.81257 -80.0196 -56.3418 -35.8733 -102.02 50.476 -100.042 210.357 258.015 PRESSAVG: 1867800 6.39846 -19.9027 5.93287 -19.9027 76.3807 47.8822 5.93286 47.8822 12.4503 GPRESSAVG: 1867800 7.47155 -20.6017 6.31168 -20.4321 74.8141 48.6572 5.89519 47.8159 13.0143 TIMING: 1867800 CPU: 5978.41, 0.00317962/step Wall: 5978.41, 0.00317962/step, 2.76644 hours remaining, 232.214844 MB of memory in use. ENERGY: 1867800 3970.8597 20407.0720 14429.8684 242.7683 -203652.6369 2705.2606 0.0000 0.0000 52077.0818 -109819.7260 299.2877 -161896.8078 -109461.1719 299.0855 22.1446 49.3942 761659.2988 31.7432 31.7666 PRESSURE: 1868000 -298.714 45.3193 -118.414 45.3201 -8.40102 88.2014 -118.414 88.2018 -88.3136 GPRESSURE: 1868000 -202.831 22.9792 -90.4678 -0.681402 -74.2247 135.917 -120.402 110.545 -54.6035 PRESSAVG: 1868000 -8.01247 14.5766 -5.38958 14.5767 -11.2234 20.3543 -5.38958 20.3543 -31.6631 GPRESSAVG: 1868000 -9.16371 15.9584 -4.99324 13.7953 -9.47943 20.0769 -4.99246 19.1809 -31.4943 TIMING: 1868000 CPU: 5979.05, 0.00318716/step Wall: 5979.05, 0.00318716/step, 2.77283 hours remaining, 232.214844 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: 1868000 4000.4048 20625.5498 14561.0955 252.0217 -203874.1413 2817.3343 0.0000 0.0000 51841.2521 -109776.4830 297.9324 -161617.7352 -109409.1074 298.5313 -131.8097 -110.5531 760855.2243 -16.9663 -16.7125 PRESSURE: 1868200 -288.633 43.246 -65.9759 43.2456 -7.72325 -190.528 -65.9758 -190.527 -108.772 GPRESSURE: 1868200 -279.211 118.066 -61.91 22.0782 18.4129 -137.309 -17.2083 -81.1397 -73.3925 PRESSAVG: 1868200 -0.964937 -24.5037 55.5224 -24.5037 -28.1224 24.8414 55.5224 24.8414 -25.4311 GPRESSAVG: 1868200 -0.0921927 -26.3346 55.5139 -24.9035 -29.3159 23.1218 56.6317 28.7634 -24.9225 TIMING: 1868200 CPU: 5979.69, 0.00317801/step Wall: 5979.69, 0.00317801/step, 2.76469 hours remaining, 232.214844 MB of memory in use. ENERGY: 1868200 3964.3849 20283.1513 14514.2501 254.7098 -203414.5020 2615.7967 0.0000 0.0000 52014.2306 -109767.9786 298.9265 -161782.2092 -109414.7184 298.9190 -135.0427 -111.3968 761108.4501 -18.1728 -18.1102 LDB: ============= START OF LOAD BALANCING ============== 5992.11 LDB: ============== END OF LOAD BALANCING =============== 5992.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5992.12 LDB: ============= START OF LOAD BALANCING ============== 5992.43 LDB: Largest compute 7033 load 0.035542 is 18.2% of average load 0.195391 LDB: Average compute 0.004374 is 2.2% of average load 0.195391 LDB: TIME 5992.44 LOAD: AVG 0.195391 MAX 0.211464 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.969 MB LDB: TIME 5992.44 LOAD: AVG 0.195391 MAX 0.211464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.043 MB LDB: TIME 5992.44 LOAD: AVG 0.195391 MAX 0.211464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.043 MB LDB: ============== END OF LOAD BALANCING =============== 5992.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5992.44 PRESSURE: 1868400 411.961 60.3206 29.3405 60.3212 -397.066 -8.16462 29.3409 -8.16448 71.0025 GPRESSURE: 1868400 331.752 122.793 -15.5304 72.4949 -225.179 -120.489 -42.9734 15.015 52.6354 PRESSAVG: 1868400 -2.0667 -50.6632 -44.1862 -50.6632 13.0673 0.714565 -44.1862 0.714625 -0.133166 GPRESSAVG: 1868400 -2.05447 -49.8358 -44.3831 -49.0258 14.0586 2.51731 -46.5673 -1.25498 -0.979108 TIMING: 1868400 CPU: 5980.34, 0.00325669/step Wall: 5980.34, 0.00325669/step, 2.83296 hours remaining, 232.585938 MB of memory in use. ENERGY: 1868400 4025.1988 20474.2882 14495.7393 228.2358 -203412.9730 2463.9823 0.0000 0.0000 52052.4560 -109673.0726 299.1462 -161725.5286 -109311.8817 298.9343 28.6326 53.0694 759623.0846 3.6225 3.6750 PRESSURE: 1868600 -419.085 -222.157 -97.4008 -222.158 348.451 -183.089 -97.401 -183.091 -134.608 GPRESSURE: 1868600 -356.347 -38.2334 -39.3515 -276.068 299.038 -185.831 -5.91023 -250.884 -34.2657 PRESSAVG: 1868600 31.0753 -27.1919 -47.0735 -27.1919 -7.46293 -40.3884 -47.0735 -40.3884 -2.74432 GPRESSAVG: 1868600 32.1919 -25.7105 -48.8959 -27.6337 -8.38145 -41.5193 -44.9769 -40.3858 -2.738 TIMING: 1868600 CPU: 5980.97, 0.00315443/step Wall: 5980.97, 0.00315444/step, 2.74383 hours remaining, 232.585938 MB of memory in use. ENERGY: 1868600 4012.6114 20476.4088 14451.0877 256.2589 -203131.2663 2368.3291 0.0000 0.0000 52188.8725 -109377.6979 299.9302 -161566.5703 -109018.3754 299.0121 -68.4140 -30.5248 760972.8262 6.9560 7.0242 PRESSURE: 1868800 -59.5317 -91.9879 178.439 -91.9885 55.0541 75.9941 178.439 75.9941 -146.331 GPRESSURE: 1868800 65.2242 -34.2754 197.522 -52.0069 59.803 112.13 -22.1296 102.825 -178.945 PRESSAVG: 1868800 36.5362 -59.3244 7.9026 -59.3245 -1.12213 9.29778 7.90252 9.29778 -24.3366 GPRESSAVG: 1868800 35.0988 -58.6838 7.8831 -57.8003 -0.034626 8.9297 7.89247 11.708 -24.071 TIMING: 1868800 CPU: 5981.61, 0.00317842/step Wall: 5981.61, 0.00317842/step, 2.76452 hours remaining, 232.585938 MB of memory in use. ENERGY: 1868800 3980.1660 20486.0308 14520.2897 250.9650 -203539.8812 2795.5838 0.0000 0.0000 52166.1172 -109340.7287 299.7994 -161506.8459 -108980.7949 299.6792 -50.2694 -17.9726 760626.7978 3.6925 3.6644 PRESSURE: 1869000 -75.1508 -146.383 122.449 -146.383 -132.263 54.6193 122.449 54.6186 21.8937 GPRESSURE: 1869000 -71.6884 -208.855 186.041 -199.049 -120.879 148.412 81.66 -32.893 89.0115 PRESSAVG: 1869000 32.6324 -44.2277 38.2302 -44.2277 -8.41295 13.815 38.2303 13.815 1.88137 GPRESSAVG: 1869000 31.9716 -46.0556 38.9295 -47.2902 -8.33019 15.1155 36.3407 10.8319 3.04162 TIMING: 1869000 CPU: 5982.24, 0.00318273/step Wall: 5982.24, 0.00318273/step, 2.76809 hours remaining, 232.585938 MB of memory in use. ENERGY: 1869000 3973.7880 20579.7837 14532.9797 270.1681 -203481.8158 2542.8668 0.0000 0.0000 51994.8442 -109587.3851 298.8151 -161582.2294 -109219.7159 299.0058 -61.8400 -34.5186 761642.6606 8.7003 8.8943 PRESSURE: 1869200 -195.529 120.228 -32.4432 120.228 48.6107 -49.1301 -32.4432 -49.1302 74.4311 GPRESSURE: 1869200 -128.327 40.6411 -56.0008 83.6943 99.1463 -25.4866 78.8638 7.91001 42.7973 PRESSAVG: 1869200 15.9417 -14.5264 38.7845 -14.5265 -24.1542 -25.8327 38.7844 -25.8328 13.8662 GPRESSAVG: 1869200 18.1514 -14.4956 39.8928 -11.0052 -25.4737 -26.669 40.1778 -22.8413 13.0171 TIMING: 1869200 CPU: 5982.88, 0.00316535/step Wall: 5982.88, 0.00316535/step, 2.7528 hours remaining, 232.585938 MB of memory in use. ENERGY: 1869200 4003.8948 20512.1508 14504.7402 231.4251 -203905.9310 3063.6157 0.0000 0.0000 52189.8407 -109400.2635 299.9357 -161590.1043 -109038.0909 299.4787 -24.1625 4.5388 762208.2725 1.8846 1.8983 PRESSURE: 1869400 -164.924 117.303 39.8143 117.303 -52.3319 36.8932 39.8133 36.8943 46.986 GPRESSURE: 1869400 -64.5436 17.8479 96.6079 190.649 -15.0324 21.2775 3.19772 -31.113 7.10912 PRESSAVG: 1869400 1.72244 4.51826 -73.8194 4.51829 -6.81935 -20.7514 -73.8194 -20.7514 -25.7087 GPRESSAVG: 1869400 0.751294 4.45689 -72.5824 2.7435 -5.77181 -20.4625 -73.9806 -23.875 -25.4142 TIMING: 1869400 CPU: 5983.51, 0.00315577/step Wall: 5983.51, 0.00315577/step, 2.7443 hours remaining, 232.585938 MB of memory in use. ENERGY: 1869400 3920.2591 20384.4907 14513.5302 233.0231 -203446.7409 2681.7091 0.0000 0.0000 52315.9339 -109397.7948 300.6604 -161713.7286 -109028.3369 299.3180 -56.7567 -24.1556 761245.5641 -10.2685 -10.1449 PRESSURE: 1869600 -200.075 222.569 -0.402888 222.569 -137.748 53.6189 -0.402509 53.6195 -194.841 GPRESSURE: 1869600 -174.211 310.122 -56.7823 227.212 -92.2682 51.4962 51.0145 126.372 -176.342 PRESSAVG: 1869600 -39.2157 35.0007 -10.4035 35.0007 4.09742 -64.1006 -10.4035 -64.1006 -11.8582 GPRESSAVG: 1869600 -38.825 33.543 -12.6079 33.6314 5.04025 -66.0575 -9.14848 -61.7401 -12.3638 TIMING: 1869600 CPU: 5984.14, 0.00315732/step Wall: 5984.14, 0.00315732/step, 2.74546 hours remaining, 232.585938 MB of memory in use. ENERGY: 1869600 3996.3679 20532.1145 14461.2581 252.9030 -203030.5164 2469.2212 0.0000 0.0000 51918.5440 -109400.1077 298.3766 -161318.6517 -109057.2978 298.8527 -177.5547 -147.6071 762976.3114 -15.6588 -15.3828 PRESSURE: 1869800 247.076 -66.135 82.5831 -66.1358 -55.951 121.057 82.5831 121.058 -153.89 GPRESSURE: 1869800 175.184 28.246 20.5615 2.97781 63.1106 98.4261 104.056 215.889 -108.806 PRESSAVG: 1869800 11.0221 21.7821 -14.1435 21.7821 3.38876 41.0067 -14.1434 41.0067 10.9972 GPRESSAVG: 1869800 9.56351 23.8082 -14.5996 22.3114 3.61394 42.2393 -14.6342 41.0654 12.3837 TIMING: 1869800 CPU: 5984.77, 0.00316982/step Wall: 5984.77, 0.00316982/step, 2.75616 hours remaining, 232.585938 MB of memory in use. ENERGY: 1869800 3926.0088 20599.7749 14506.5372 266.6270 -203704.6139 2909.0020 0.0000 0.0000 51970.0762 -109526.5879 298.6727 -161496.6641 -109175.3655 298.9244 12.4117 43.1628 761074.8294 8.4693 8.5204 PRESSURE: 1870000 -146.771 113.85 -31.9722 113.849 -119.529 36.8117 -31.9725 36.8124 -32.1828 GPRESSURE: 1870000 -74.9348 -69.782 37.3368 121.215 -142.184 -26.92 -50.2042 -70.7186 -12.2922 PRESSAVG: 1870000 35.6521 -0.789875 7.2617 -0.789946 6.54403 26.6071 7.26167 26.6071 12.3315 GPRESSAVG: 1870000 38.4419 -2.32692 8.73169 -0.170107 4.43197 26.3514 6.10725 25.9881 11.5867 TIMING: 1870000 CPU: 5985.4, 0.00316469/step Wall: 5985.4, 0.00316469/step, 2.75152 hours remaining, 232.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 4006.9080 20393.7404 14528.1412 257.3118 -203093.6640 2579.1583 0.0000 0.0000 52103.9226 -109224.4816 299.4420 -161328.4043 -108852.2066 299.0047 -99.4943 -76.4703 762329.4384 18.1759 18.1535 PRESSURE: 1870200 155.004 -21.1524 -5.94905 -21.152 -150.542 -254.259 -5.94879 -254.259 94.3506 GPRESSURE: 1870200 107.851 -28.3958 88.4454 5.65643 -142.473 -173.408 -109.547 -288.989 235.519 PRESSAVG: 1870200 6.91047 72.0935 -3.60111 72.0935 -13.96 -0.149445 -3.60112 -0.149476 7.51226 GPRESSAVG: 1870200 5.70869 71.0256 -3.38259 73.6622 -12.9161 0.778743 -3.46564 -3.21457 8.12997 TIMING: 1870200 CPU: 5986.04, 0.0031534/step Wall: 5986.04, 0.0031534/step, 2.74153 hours remaining, 232.585938 MB of memory in use. ENERGY: 1870200 3998.4308 20456.7472 14467.3589 255.3875 -203218.0522 2813.0491 0.0000 0.0000 51906.3450 -109320.7336 298.3065 -161227.0786 -108969.3112 298.8269 32.9375 66.9660 762312.3646 0.1543 0.3075 PRESSURE: 1870400 108.078 15.7076 58.8241 15.7068 14.2829 126.045 58.8242 126.045 -571.54 GPRESSURE: 1870400 157.771 -47.8912 42.046 13.79 10.8225 17.7489 -92.6635 181.73 -522.447 PRESSAVG: 1870400 5.90268 -21.3305 29.8282 -21.3305 -21.334 -1.13642 29.8282 -1.13642 13.7108 GPRESSAVG: 1870400 5.21372 -21.3732 29.3818 -22.9057 -21.9632 -1.89835 28.9853 1.49908 14.6676 TIMING: 1870400 CPU: 5986.67, 0.00315175/step Wall: 5986.67, 0.00315176/step, 2.73993 hours remaining, 232.585938 MB of memory in use. ENERGY: 1870400 3958.3403 20359.7447 14524.1059 250.2886 -203185.8324 2587.8604 0.0000 0.0000 52242.6156 -109262.8769 300.2390 -161505.4925 -108890.3764 299.2804 -149.7262 -117.9513 762091.7060 -0.5735 -0.6940 PRESSURE: 1870600 -244.053 120.145 114.059 120.145 -321.412 -294.477 114.057 -294.477 -124.119 GPRESSURE: 1870600 -180.78 204.335 148.034 124.943 -295.184 -305.611 196.423 -147.011 -123.606 PRESSAVG: 1870600 -5.52657 -25.9515 -11.8183 -25.9515 -7.30604 -28.6097 -11.8184 -28.6096 -0.456141 GPRESSAVG: 1870600 -3.94729 -25.5729 -11.9774 -24.5842 -6.07773 -27.6045 -11.4757 -29.1495 -2.78488 TIMING: 1870600 CPU: 5987.3, 0.0031659/step Wall: 5987.3, 0.0031659/step, 2.75205 hours remaining, 232.585938 MB of memory in use. ENERGY: 1870600 4037.2223 20509.6407 14474.8638 247.8427 -203196.0000 2414.4506 0.0000 0.0000 52168.0948 -109343.8851 299.8108 -161511.9799 -108977.7998 299.4170 -229.8615 -199.8565 760604.3310 -4.4296 -4.2700 PRESSURE: 1870800 136.407 -177.876 -220.632 -177.877 275.951 -8.12557 -220.631 -8.12419 433.094 GPRESSURE: 1870800 113.833 -44.3324 -132.234 -150.531 371.352 29.641 -77.3467 35.4087 460.98 PRESSAVG: 1870800 -17.4038 25.0686 -2.43715 25.0687 39.0179 14.9985 -2.43714 14.9986 8.40689 GPRESSAVG: 1870800 -17.762 28.0683 -3.08387 23.0833 38.5338 13.9919 0.610321 16.0517 8.99069 TIMING: 1870800 CPU: 5987.93, 0.00315489/step Wall: 5987.93, 0.00315489/step, 2.7423 hours remaining, 232.585938 MB of memory in use. ENERGY: 1870800 4058.3754 20422.8691 14462.7245 251.0790 -203093.3768 2608.4708 0.0000 0.0000 52005.0552 -109284.8029 298.8738 -161289.8580 -108924.5438 299.3389 281.8175 315.3884 762127.5191 10.0070 9.9208 PRESSURE: 1871000 -213.254 -4.37766 -15.7864 -4.37771 88.1833 274.729 -15.7868 274.729 -437.238 GPRESSURE: 1871000 -230.259 21.4014 -10.9883 45.6665 140.462 273.194 -40.8451 200.762 -358.225 PRESSAVG: 1871000 -16.6849 7.82666 7.42854 7.82669 21.8247 29.0676 7.42852 29.0676 14.537 GPRESSAVG: 1871000 -17.7011 4.78622 8.99815 9.11181 21.7873 29.4585 4.26029 29.9872 15.4907 TIMING: 1871000 CPU: 5988.56, 0.0031493/step Wall: 5988.56, 0.0031493/step, 2.73727 hours remaining, 232.585938 MB of memory in use. ENERGY: 1871000 4030.3806 20395.0032 14414.4289 236.0433 -202670.5079 2165.2482 0.0000 0.0000 52176.4135 -109252.9902 299.8586 -161429.4037 -108885.9196 299.6425 -187.4362 -149.3404 761821.8719 6.5590 6.5257 PRESSURE: 1871200 209.092 61.257 -8.20015 61.2567 73.129 -67.519 -8.19989 -67.5193 -203.283 GPRESSURE: 1871200 228.315 107.564 -69.2156 103.45 116.728 -45.531 -31.8098 -109.312 -185.244 PRESSAVG: 1871200 70.8876 31.0364 -27.5909 31.0365 -27.2744 41.6231 -27.591 41.6231 23.6036 GPRESSAVG: 1871200 70.5739 33.1769 -29.206 30.53 -27.3336 40.4699 -26.0046 39.6471 23.9658 TIMING: 1871200 CPU: 5989.19, 0.00315103/step Wall: 5989.19, 0.00315103/step, 2.73859 hours remaining, 232.585938 MB of memory in use. ENERGY: 1871200 4086.0768 20576.9717 14480.6777 249.6672 -203536.4217 2907.2687 0.0000 0.0000 51876.5745 -109359.1852 298.1354 -161235.7597 -109005.9423 299.9030 26.3125 53.2662 761262.0322 22.4056 22.4020 PRESSURE: 1871400 366.743 52.7627 129.686 52.7621 27.5643 -95.4633 129.686 -95.4632 -281.035 GPRESSURE: 1871400 418.901 46.4092 128.082 -19.3804 23.1036 -10.8965 92.0824 -102.962 -250.288 PRESSAVG: 1871400 3.53771 -16.2621 7.04445 -16.262 -3.70117 -33.7148 7.0445 -33.7147 -8.04107 GPRESSAVG: 1871400 4.79473 -16.1551 6.94422 -16.1857 -4.82738 -31.9425 7.15641 -35.5654 -8.51575 TIMING: 1871400 CPU: 5989.82, 0.00314618/step Wall: 5989.82, 0.00314618/step, 2.73421 hours remaining, 232.585938 MB of memory in use. ENERGY: 1871400 4041.0651 20365.0879 14478.7140 239.7755 -203155.3152 2587.3411 0.0000 0.0000 52169.2688 -109274.0628 299.8175 -161443.3315 -108907.7302 298.9955 37.7576 63.9056 760805.9614 -2.7348 -2.8495 PRESSURE: 1871600 -184.954 52.4875 -190.361 52.4869 93.3438 -46.1396 -190.36 -46.14 147.18 GPRESSURE: 1871600 -185.455 79.1647 -172.827 5.69244 194.856 -27.2755 -123.45 5.5066 116.791 PRESSAVG: 1871600 48.6621 -0.393691 -3.31927 -0.393695 -47.5526 74.392 -3.31929 74.3921 -6.37198 GPRESSAVG: 1871600 50.3982 0.514704 -1.87192 -1.01265 -48.5812 73.1165 -4.26917 77.179 -7.29337 TIMING: 1871600 CPU: 5990.45, 0.00317084/step Wall: 5990.45, 0.00317084/step, 2.75546 hours remaining, 232.585938 MB of memory in use. ENERGY: 1871600 3981.9756 20528.4192 14515.5700 279.7894 -202963.2950 2498.9558 0.0000 0.0000 52118.1194 -109040.4656 299.5235 -161158.5850 -108681.4636 299.5494 18.5233 42.0640 762978.7627 -1.7542 -1.8254 PRESSURE: 1871800 -225.177 148.673 -72.2797 148.674 -152.219 130.456 -72.2801 130.456 94.7014 GPRESSURE: 1871800 -180.619 139.319 -62.8337 137.025 -69.7661 123.632 3.2423 34.2695 56.8656 PRESSAVG: 1871800 46.5123 47.3962 -27.781 47.3962 -13.9227 45.8682 -27.7811 45.8682 2.74081 GPRESSAVG: 1871800 45.1236 45.2314 -29.1201 46.1522 -12.8803 46.0333 -26.8789 45.3269 3.24841 TIMING: 1871800 CPU: 5991.09, 0.00317896/step Wall: 5991.09, 0.00317896/step, 2.76234 hours remaining, 232.585938 MB of memory in use. ENERGY: 1871800 3924.9105 20667.1940 14522.2350 243.7702 -203101.4508 2393.6547 0.0000 0.0000 52055.2185 -109294.4678 299.1621 -161349.6863 -108932.8035 300.0018 -94.2315 -64.5066 762337.0077 11.7768 11.8306 PRESSURE: 1872000 -5.46258 54.9422 -167.793 54.9425 -117.463 44.1753 -167.793 44.1741 -180.66 GPRESSURE: 1872000 43.3123 15.0254 -128.585 188.536 -93.0297 87.4254 -176.784 106.059 -181.918 PRESSAVG: 1872000 17.0127 -24.3606 -46.9891 -24.3607 -44.7632 14.7559 -46.9891 14.7559 15.2727 GPRESSAVG: 1872000 16.1054 -23.05 -45.6991 -22.4996 -42.3564 15.7918 -48.4799 12.6421 13.8156 TIMING: 1872000 CPU: 5991.73, 0.00317926/step Wall: 5991.73, 0.00317926/step, 2.76243 hours remaining, 232.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 4066.9963 20476.6455 14579.6679 255.2249 -203388.5727 2606.8642 0.0000 0.0000 52065.5497 -109337.6241 299.2214 -161403.1738 -108972.7327 299.5339 -101.1950 -77.2120 761439.3670 -4.1593 -4.1451 PRESSURE: 1872200 -85.8923 27.0915 -48.3042 27.0905 183.376 125.076 -48.3047 125.076 246.912 GPRESSURE: 1872200 -27.4051 -59.1723 -14.0952 58.9891 192.223 167.663 -78.9708 39.9307 267.664 PRESSAVG: 1872200 19.7886 -22.7706 -19.1508 -22.7706 -44.7929 -0.121484 -19.1508 -0.12154 8.31881 GPRESSAVG: 1872200 20.1571 -23.7782 -17.9684 -23.6733 -45.639 0.2029 -17.841 1.81019 9.11449 TIMING: 1872200 CPU: 5992.36, 0.00318253/step Wall: 5992.36, 0.00318253/step, 2.76509 hours remaining, 232.585938 MB of memory in use. ENERGY: 1872200 3987.6795 20331.6560 14569.8880 248.1330 -203345.2241 2682.4580 0.0000 0.0000 52208.4817 -109316.9278 300.0429 -161525.4095 -108955.6509 299.8604 114.7987 144.1605 759641.6921 -5.5618 -5.4558 LDB: ============= START OF LOAD BALANCING ============== 6004.79 LDB: ============== END OF LOAD BALANCING =============== 6004.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6004.79 LDB: ============= START OF LOAD BALANCING ============== 6005.11 LDB: Largest compute 7033 load 0.034857 is 17.8% of average load 0.195515 LDB: Average compute 0.004395 is 2.2% of average load 0.195515 LDB: TIME 6005.11 LOAD: AVG 0.195515 MAX 0.213537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.371 MB LDB: TIME 6005.11 LOAD: AVG 0.195515 MAX 0.213537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.441 MB LDB: TIME 6005.11 LOAD: AVG 0.195515 MAX 0.213537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.441 MB LDB: ============== END OF LOAD BALANCING =============== 6005.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6005.12 PRESSURE: 1872400 -35.9709 -111.482 -26.4277 -111.482 -113.636 177.712 -26.4269 177.713 -104.446 GPRESSURE: 1872400 25.664 -105.482 -26.7008 -100.285 -126.285 88.871 -44.6867 -3.45106 -45.5657 PRESSAVG: 1872400 6.36505 -1.16914 10.0286 -1.16919 -49.7656 20.2211 10.0286 20.2211 9.60523 GPRESSAVG: 1872400 6.82926 -2.27894 9.6845 2.3847 -50.1023 18.5894 9.84218 21.2331 9.29482 TIMING: 1872400 CPU: 5993.01, 0.00325521/step Wall: 5993.01, 0.00325521/step, 2.82806 hours remaining, 231.765625 MB of memory in use. ENERGY: 1872400 3945.8517 20435.8368 14574.1364 254.8433 -203052.8897 2356.0571 0.0000 0.0000 52218.4519 -109267.7125 300.1002 -161486.1644 -108909.0121 299.5846 -84.6841 -48.7289 760828.0166 -11.2651 -11.3261 PRESSURE: 1872600 31.2803 45.6426 111.956 45.6432 -641.883 119.274 111.955 119.275 -171.56 GPRESSURE: 1872600 95.3145 212.09 173.899 30.1426 -621.962 139.028 207.001 41.0906 -158.661 PRESSAVG: 1872600 39.6807 51.8874 63.9897 51.8874 -16.9004 33.163 63.9897 33.163 -0.0503414 GPRESSAVG: 1872600 39.4534 53.1644 63.2564 51.0072 -16.5943 34.5322 63.2318 30.0292 0.519203 TIMING: 1872600 CPU: 5993.65, 0.0031872/step Wall: 5993.65, 0.0031872/step, 2.76879 hours remaining, 231.765625 MB of memory in use. ENERGY: 1872600 3952.6346 20696.2838 14545.0265 265.9250 -202854.8172 2190.3115 0.0000 0.0000 51987.0995 -109217.5363 298.7706 -161204.6358 -108854.9269 299.3300 -260.7208 -228.4359 761017.3991 7.5767 7.7928 PRESSURE: 1872800 -199.645 -144.645 33.4975 -144.645 26.8237 25.666 33.4972 25.6658 83.6738 GPRESSURE: 1872800 -188.153 -200.1 12.8711 -227.47 123.778 107.23 73.4047 29.6017 72.8266 PRESSAVG: 1872800 -49.2059 -6.16366 3.1856 -6.16364 12.2159 33.2761 3.18558 33.2761 5.25674 GPRESSAVG: 1872800 -48.6076 -6.28076 3.87848 -8.74089 11.4802 33.5093 4.28928 33.8063 5.19197 TIMING: 1872800 CPU: 5994.29, 0.00317691/step Wall: 5994.29, 0.00317691/step, 2.75968 hours remaining, 231.765625 MB of memory in use. ENERGY: 1872800 3941.0923 20624.1651 14542.0461 259.4570 -203144.3070 2374.8452 0.0000 0.0000 52302.7688 -109099.9325 300.5847 -161402.7013 -108723.9401 299.6757 -29.7159 2.8174 761852.5652 -10.5778 -10.6451 PRESSURE: 1873000 235.727 -37.7023 -191.163 -37.7032 -134.702 -63.7289 -191.163 -63.7287 453.86 GPRESSURE: 1873000 300.471 -18.8696 -184.818 -148.183 -68.2631 -43.4188 -171.058 -10.8537 429.326 PRESSAVG: 1873000 -33.6571 -33.2248 17.1097 -33.2248 39.774 19.0319 17.1097 19.0319 -10.436 GPRESSAVG: 1873000 -33.2674 -32.7192 15.0164 -31.018 40.7256 17.1342 19.7597 21.8857 -11.6573 TIMING: 1873000 CPU: 5994.92, 0.00318197/step Wall: 5994.92, 0.00318197/step, 2.76389 hours remaining, 231.765625 MB of memory in use. ENERGY: 1873000 3995.4322 20417.0930 14526.9299 253.5073 -203280.3835 2694.8954 0.0000 0.0000 52339.2435 -109053.2821 300.7944 -161392.5255 -108675.3832 300.0586 184.9615 220.5113 760127.7420 -1.4397 -1.3997 PRESSURE: 1873200 -349.955 48.0271 64.1555 48.027 -432.473 -183.481 64.1546 -183.481 215.027 GPRESSURE: 1873200 -247.46 21.9289 80.7009 -9.52065 -388.604 -223.02 40.5017 -247.514 156.719 PRESSAVG: 1873200 42.761 -12.4296 1.8912 -12.4295 -11.5076 11.5911 1.89124 11.5911 -9.40315 GPRESSAVG: 1873200 40.4112 -13.5313 2.71992 -12.992 -11.2455 13.6597 -0.177656 9.21734 -7.74786 TIMING: 1873200 CPU: 5995.56, 0.00316966/step Wall: 5995.56, 0.00316966/step, 2.75303 hours remaining, 231.765625 MB of memory in use. ENERGY: 1873200 3988.6077 20565.0622 14561.5445 230.6886 -202958.4739 2246.5515 0.0000 0.0000 52085.9381 -109280.0815 299.3386 -161366.0195 -108910.4145 300.1322 -189.1335 -159.7819 761540.9578 7.2834 7.1393 PRESSURE: 1873400 -70.0795 170.583 102.508 170.583 13.4062 314.836 102.508 314.836 -204.741 GPRESSURE: 1873400 -58.8087 189.494 141.611 26.999 -3.50795 339.072 8.87659 262.721 -123.111 PRESSAVG: 1873400 9.78282 3.79222 -15.1633 3.79226 -43.6037 58.661 -15.1633 58.661 -3.39061 GPRESSAVG: 1873400 11.1417 4.32326 -14.9757 0.791367 -44.3002 59.6533 -16.542 58.8989 -3.75069 TIMING: 1873400 CPU: 5996.19, 0.00315747/step Wall: 5996.19, 0.00315747/step, 2.74226 hours remaining, 231.765625 MB of memory in use. ENERGY: 1873400 3956.6847 20625.9055 14539.6023 255.4372 -202832.7137 2408.4392 0.0000 0.0000 51619.6207 -109427.0240 296.6587 -161046.6447 -109066.3194 299.2208 -87.1382 -61.8093 761782.3073 -12.4038 -12.3031 PRESSURE: 1873600 3.86356 0.55165 -183.804 0.551534 146.26 -128.391 -183.805 -128.391 -317.115 GPRESSURE: 1873600 -22.3755 -88.7003 -98.693 47.604 253.738 -48.8509 -160.487 -164.419 -298.921 PRESSAVG: 1873600 33.419 8.22191 2.56595 8.22183 -21.7353 -36.4202 2.56596 -36.4202 -10.8272 GPRESSAVG: 1873600 31.6312 9.77125 3.18768 11.5245 -20.6084 -38.0811 3.95804 -36.8315 -10.6606 TIMING: 1873600 CPU: 5996.82, 0.0031729/step Wall: 5996.82, 0.0031729/step, 2.75549 hours remaining, 231.765625 MB of memory in use. ENERGY: 1873600 3921.1898 20558.4988 14529.4675 241.4992 -203173.3182 2428.5248 0.0000 0.0000 52205.1623 -109288.9759 300.0238 -161494.1381 -108921.1061 299.7988 -55.6641 -22.5194 759398.7988 0.2855 0.1207 PRESSURE: 1873800 166.12 -194.461 -12.9072 -194.461 272.193 32.2406 -12.9065 32.2401 254.673 GPRESSURE: 1873800 227.407 -134.983 -73.2438 -70.0316 205.904 3.68171 30.2511 23.7256 348.794 PRESSAVG: 1873800 -6.35095 -13.8797 -19.9189 -13.8796 0.635404 -22.4185 -19.9189 -22.4186 -12.8416 GPRESSAVG: 1873800 -5.50128 -14.2648 -20.4813 -15.1507 -0.576946 -21.8621 -19.7536 -22.9692 -12.0307 TIMING: 1873800 CPU: 5997.46, 0.00317209/step Wall: 5997.46, 0.00317209/step, 2.75461 hours remaining, 231.765625 MB of memory in use. ENERGY: 1873800 3923.4737 20519.8841 14450.1290 261.3789 -203000.7662 2647.3176 0.0000 0.0000 52098.3559 -109100.2270 299.4100 -161198.5829 -108740.7588 299.4300 230.9951 260.7018 761489.8717 -6.1857 -6.0363 PRESSURE: 1874000 -383.316 -78.7156 -102.973 -78.7159 -122.545 169.527 -102.973 169.528 -17.8468 GPRESSURE: 1874000 -381.416 32.1634 -145.652 -30.7864 7.00767 170.584 -9.33468 306.474 -40.4662 PRESSAVG: 1874000 -8.18827 -8.17437 34.6788 -8.17439 20.6063 36.8402 34.6788 36.8402 -8.50335 GPRESSAVG: 1874000 -7.63018 -9.52304 35.0553 -6.91756 21.604 37.4674 32.3996 39.7285 -10.1467 TIMING: 1874000 CPU: 5998.09, 0.00316747/step Wall: 5998.09, 0.00316747/step, 2.75042 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1874000 3990.1881 20650.4360 14447.6455 239.2903 -202997.1310 2320.6340 0.0000 0.0000 52285.3053 -109063.6319 300.4844 -161348.9371 -108703.3798 300.0183 -174.5690 -138.2915 763459.9606 1.3049 1.2757 PRESSURE: 1874200 -62.882 129.374 -90.1438 129.374 48.7069 13.2471 -90.143 13.2465 138.93 GPRESSURE: 1874200 -59.9452 143.19 -84.178 151.804 6.10296 -89.4123 -224.124 107.857 257.165 PRESSAVG: 1874200 35.9961 -43.1418 -18.7358 -43.1418 -27.4249 46.9421 -18.7357 46.9421 -14.4535 GPRESSAVG: 1874200 36.0208 -41.651 -19.5879 -44.1474 -28.1891 44.6715 -16.113 45.3737 -14.3664 TIMING: 1874200 CPU: 5998.72, 0.00315555/step Wall: 5998.72, 0.00315555/step, 2.7399 hours remaining, 231.765625 MB of memory in use. ENERGY: 1874200 4014.1977 20704.9424 14467.2510 231.0874 -203346.7483 2529.8902 0.0000 0.0000 52493.8723 -108905.5073 301.6830 -161399.3796 -108539.1823 300.7076 41.5849 67.7742 762782.2951 -1.9608 -2.1782 PRESSURE: 1874400 35.3705 -103.196 193.603 -103.195 263.168 49.1379 193.603 49.1382 272.974 GPRESSURE: 1874400 34.0977 -91.6755 147.301 13.4241 308.223 -2.49326 202.184 99.9893 325.197 PRESSAVG: 1874400 23.4366 -50.9662 59.2688 -50.9662 -49.3967 20.5479 59.2688 20.5478 5.87114 GPRESSAVG: 1874400 23.522 -50.7099 60.2323 -50.7367 -50.2743 21.8578 59.5814 20.6964 6.55702 TIMING: 1874400 CPU: 5999.35, 0.00316595/step Wall: 5999.35, 0.00316595/step, 2.74875 hours remaining, 231.765625 MB of memory in use. ENERGY: 1874400 3882.8085 20612.5606 14472.5716 259.3808 -203960.1340 3182.0093 0.0000 0.0000 52527.0464 -109023.7568 301.8737 -161550.8032 -108670.2745 300.2431 190.5041 222.5059 762249.9294 -6.6963 -6.7318 PRESSURE: 1874600 30.9449 13.0763 -34.4774 13.0759 2.53733 -133.344 -34.4777 -133.344 289.9 GPRESSURE: 1874600 43.833 -46.8868 47.8872 23.1692 16.5177 -232.245 7.57757 -108.489 359.13 PRESSAVG: 1874600 13.297 -71.5222 4.08255 -71.5223 17.2431 -43.295 4.08254 -43.295 22.0694 GPRESSAVG: 1874600 14.7698 -73.9103 3.39028 -72.9217 16.2076 -43.8778 3.46156 -44.3263 21.5367 TIMING: 1874600 CPU: 5999.99, 0.00318578/step Wall: 5999.99, 0.00318578/step, 2.76579 hours remaining, 231.765625 MB of memory in use. ENERGY: 1874600 3939.8396 20604.9898 14507.1783 244.9547 -203001.0808 2371.3124 0.0000 0.0000 52195.9601 -109136.8459 299.9709 -161332.8059 -108777.8778 300.3016 107.7941 139.8269 761934.6858 17.5365 17.5047 PRESSURE: 1874800 -114.827 64.2412 -75.5207 64.2417 366.514 45.1342 -75.5206 45.1334 0.999119 GPRESSURE: 1874800 -55.9208 13.4517 -121.833 98.4557 295.06 45.8338 -138.47 114.251 79.9933 PRESSAVG: 1874800 29.7554 -61.8038 2.2671 -61.8038 -37.6579 29.788 2.26708 29.788 -8.8746 GPRESSAVG: 1874800 28.4213 -59.9937 1.22342 -59.8165 -35.8991 28.8611 1.71464 29.9233 -9.36912 TIMING: 1874800 CPU: 6000.63, 0.0031778/step Wall: 6000.63, 0.0031778/step, 2.75868 hours remaining, 231.765625 MB of memory in use. ENERGY: 1874800 3958.8514 20605.8577 14508.9421 265.2039 -203290.5647 2504.6825 0.0000 0.0000 52207.2555 -109239.7716 300.0358 -161447.0271 -108880.4143 299.2926 84.2288 106.3775 762873.0809 -5.5924 -5.6157 PRESSURE: 1875000 109.655 -82.2831 -31.3639 -82.2832 238.775 -196.276 -31.3645 -196.276 -31.8969 GPRESSURE: 1875000 131.25 -53.2503 -94.8784 -164.821 264.215 -148.523 95.5654 -30.6924 20.8709 PRESSAVG: 1875000 44.8314 -57.3203 18.5329 -57.3202 3.44975 30.0398 18.5329 30.0398 10.4659 GPRESSAVG: 1875000 44.8424 -58.0937 19.2013 -59.4737 3.47094 31.8451 21.1825 31.1698 10.6547 TIMING: 1875000 CPU: 6001.27, 0.00319906/step Wall: 6001.27, 0.00319906/step, 2.77697 hours remaining, 231.765625 MB of memory in use. ENERGY: 1875000 3930.2363 20699.4022 14488.2454 240.3428 -203425.8770 2671.3379 0.0000 0.0000 51920.2665 -109476.0459 298.3865 -161396.3125 -109125.6484 299.6933 105.5108 138.7788 760455.5030 19.5823 19.6560 PRESSURE: 1875200 56.9247 -254.684 177.836 -254.684 316.008 -55.2189 177.836 -55.2191 32.9409 GPRESSURE: 1875200 72.7296 -229.594 118.681 -268.542 388.952 43.2614 132.419 30.9204 26.616 PRESSAVG: 1875200 -19.6662 -8.10774 -16.8683 -8.10774 28.1871 10.731 -16.8684 10.731 -10.4757 GPRESSAVG: 1875200 -19.8585 -6.72506 -16.2269 -6.61314 27.2325 9.91171 -18.528 11.3185 -10.2327 TIMING: 1875200 CPU: 6001.9, 0.00319174/step Wall: 6001.9, 0.00319174/step, 2.77043 hours remaining, 231.765625 MB of memory in use. ENERGY: 1875200 3954.3938 20412.4848 14493.5861 244.6506 -203298.5233 2505.8162 0.0000 0.0000 52217.4003 -109470.1917 300.0941 -161687.5920 -109103.0206 299.6084 135.2913 162.7660 759517.1196 -0.6516 -0.9529 PRESSURE: 1875400 57.78 4.0224 126.185 4.02216 347.27 295.433 126.185 295.433 15.3685 GPRESSURE: 1875400 169.688 -161.17 192.516 -189.104 256.744 216.028 215.043 249.48 89.4583 PRESSAVG: 1875400 20.8117 -56.5327 38.1454 -56.5327 -24.3665 8.19398 38.1454 8.19395 -32.5908 GPRESSAVG: 1875400 20.3169 -57.1556 37.1804 -59.0656 -23.5942 8.61842 38.0221 5.08204 -32.6166 TIMING: 1875400 CPU: 6002.54, 0.00316487/step Wall: 6002.54, 0.00316487/step, 2.74693 hours remaining, 231.765625 MB of memory in use. ENERGY: 1875400 3979.2371 20441.3527 14545.3602 241.2317 -203380.8751 2448.7881 0.0000 0.0000 52082.5313 -109642.3739 299.3190 -161724.9052 -109277.9457 299.4715 140.1396 171.9634 759691.7371 -12.0485 -11.9646 PRESSURE: 1875600 -236.35 -21.5554 160.322 -21.5551 197.999 35.2709 160.323 35.2697 -34.4135 GPRESSURE: 1875600 -160.27 -60.9162 133.698 26.6607 159.068 42.1366 148.435 -91.8831 24.5698 PRESSAVG: 1875600 -2.24175 -35.022 5.19897 -35.0219 -7.07226 1.38496 5.1989 1.38497 -18.309 GPRESSAVG: 1875600 -1.56736 -35.5636 6.30173 -32.8194 -6.76974 -0.466605 4.30987 2.76036 -19.1818 TIMING: 1875600 CPU: 6003.17, 0.00316372/step Wall: 6003.17, 0.00316372/step, 2.74576 hours remaining, 231.765625 MB of memory in use. ENERGY: 1875600 3912.8044 20472.6995 14466.9468 247.1677 -203456.3681 2499.4969 0.0000 0.0000 52015.6414 -109841.6114 298.9346 -161857.2528 -109481.4205 298.0991 -24.2548 7.7894 761165.9090 -9.2077 -9.1730 PRESSURE: 1875800 -23.9952 152.332 -174.224 152.332 19.3785 85.3997 -174.224 85.3992 202.182 GPRESSURE: 1875800 96.2946 168.666 -122.268 99.0912 6.6612 42.3397 -92.8479 5.52104 186.49 PRESSAVG: 1875800 55.9509 -21.617 3.9437 -21.617 -49.1457 -12.3015 3.94365 -12.3015 26.2578 GPRESSAVG: 1875800 55.628 -23.4742 3.57078 -21.1416 -49.1562 -11.4338 4.65153 -11.6213 26.1687 TIMING: 1875800 CPU: 6003.81, 0.00319428/step Wall: 6003.81, 0.00319428/step, 2.7721 hours remaining, 231.765625 MB of memory in use. ENERGY: 1875800 3926.0873 20479.1170 14418.8998 240.3938 -203645.1077 2601.9918 0.0000 0.0000 51883.1536 -110095.4644 298.1732 -161978.6179 -109743.3932 298.4099 65.8551 96.4821 761375.4831 11.0210 10.8802 PRESSURE: 1876000 201.086 235.381 39.7579 235.381 -11.1055 172.954 39.7576 172.953 -193.194 GPRESSURE: 1876000 291.664 184.869 9.5834 262.131 -43.5147 106.67 -93.6601 202.492 -167.069 PRESSAVG: 1876000 -36.8843 -8.66551 -9.64309 -8.66548 39.2343 24.5044 -9.64303 24.5044 -6.07175 GPRESSAVG: 1876000 -36.0899 -5.96658 -8.37372 -9.37064 38.5367 23.8397 -10.6803 22.8218 -5.77747 TIMING: 1876000 CPU: 6004.45, 0.0031809/step Wall: 6004.45, 0.0031809/step, 2.76031 hours remaining, 231.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1876000 3978.8885 20516.9711 14332.1742 265.3917 -203503.5407 2582.0106 0.0000 0.0000 51752.1022 -110076.0025 297.4200 -161828.1047 -109711.8855 297.8163 -1.0710 27.0267 759256.0326 -1.2406 -1.1102 PRESSURE: 1876200 -43.9137 -40.9898 72.1862 -40.989 27.0018 -127.906 72.1868 -127.907 -29.0249 GPRESSURE: 1876200 -46.578 60.6169 -39.4763 -136.548 46.4795 -118.341 137.356 -93.4844 22.5739 PRESSAVG: 1876200 59.0513 -22.2341 -2.97786 -22.2341 -50.8465 -4.95636 -2.97787 -4.95629 4.21663 GPRESSAVG: 1876200 57.958 -21.6804 -5.18212 -22.867 -50.5153 -5.056 -0.505578 -3.10641 4.94342 TIMING: 1876200 CPU: 6005.08, 0.00317229/step Wall: 6005.08, 0.00317229/step, 2.75267 hours remaining, 231.765625 MB of memory in use. ENERGY: 1876200 3945.3742 20606.0424 14331.6544 252.9966 -203711.2041 2796.3331 0.0000 0.0000 51883.7128 -109895.0905 298.1764 -161778.8033 -109545.7520 298.5189 -15.3123 7.4918 760562.1369 4.1405 4.1287 LDB: ============= START OF LOAD BALANCING ============== 6017.5 LDB: ============== END OF LOAD BALANCING =============== 6017.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6017.51 LDB: ============= START OF LOAD BALANCING ============== 6017.82 LDB: Largest compute 7033 load 0.035400 is 18.1% of average load 0.195487 LDB: Average compute 0.004388 is 2.2% of average load 0.195487 LDB: TIME 6017.83 LOAD: AVG 0.195487 MAX 0.213111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 6017.83 LOAD: AVG 0.195487 MAX 0.213111 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.785 MB LDB: TIME 6017.83 LOAD: AVG 0.195487 MAX 0.213111 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.785 MB LDB: ============== END OF LOAD BALANCING =============== 6017.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6017.84 PRESSURE: 1876400 -71.6012 -211.002 -2.21182 -211.002 -252.042 198.243 -2.21147 198.243 -308.312 GPRESSURE: 1876400 -69.1161 -167.831 54.5515 -145.016 -186.075 227.009 -79.4423 163.524 -275.634 PRESSAVG: 1876400 65.5264 -62.0171 21.5158 -62.017 -32.9748 4.87098 21.5158 4.87092 -9.635 GPRESSAVG: 1876400 65.4172 -61.9213 24.8241 -61.5397 -32.6523 4.52871 19.2823 6.07921 -10.0734 TIMING: 1876400 CPU: 6005.73, 0.00324468/step Wall: 6005.73, 0.00324468/step, 2.8153 hours remaining, 231.113281 MB of memory in use. ENERGY: 1876400 4056.6786 20492.1717 14450.0823 224.5803 -203344.6327 2590.5628 0.0000 0.0000 51740.7999 -109789.7571 297.3551 -161530.5570 -109430.8028 298.1313 -210.6516 -176.9418 762715.0912 7.6389 7.5638 PRESSURE: 1876600 -50.998 -92.563 14.9933 -92.564 -632.195 -319.575 14.9939 -319.574 -587.072 GPRESSURE: 1876600 -13.9105 -9.94037 -43.1278 -82.9977 -555.942 -308.975 -0.926115 -314.392 -597.849 PRESSAVG: 1876600 49.1892 -51.764 47.6229 -51.7641 -48.1956 -33.7105 47.6229 -33.7106 4.88225 GPRESSAVG: 1876600 49.8856 -53.2921 47.2447 -50.5631 -48.8133 -33.7056 46.8681 -34.9008 5.03864 TIMING: 1876600 CPU: 6006.37, 0.00318232/step Wall: 6006.37, 0.00318232/step, 2.76102 hours remaining, 231.316406 MB of memory in use. ENERGY: 1876600 3999.5114 20449.7759 14530.8459 247.6119 -203053.8210 2268.0543 0.0000 0.0000 51611.4074 -109946.6143 296.6115 -161558.0216 -109586.1656 298.2735 -423.4219 -389.2335 762969.7175 1.9586 2.0370 PRESSURE: 1876800 -92.3772 20.4107 -78.7349 20.4106 -172.879 -202.606 -78.7345 -202.606 238.75 GPRESSURE: 1876800 -135.784 34.8897 41.2159 -101.676 -91.3083 -163.077 -180.485 -195.567 279.337 PRESSAVG: 1876800 45.0114 -3.70109 -28.058 -3.7011 -22.7106 8.51042 -28.058 8.51039 27.1489 GPRESSAVG: 1876800 44.7004 -4.5634 -28.4961 -4.8107 -21.514 8.3086 -27.0327 9.27245 26.234 TIMING: 1876800 CPU: 6007.01, 0.00320672/step Wall: 6007.01, 0.00320672/step, 2.78201 hours remaining, 231.316406 MB of memory in use. ENERGY: 1876800 3916.3867 20446.3858 14407.2331 249.1537 -203190.3428 2369.9002 0.0000 0.0000 51955.8310 -109845.4523 298.5909 -161801.2833 -109482.3695 298.0649 -8.8354 17.4147 762416.9327 16.4832 16.4735 PRESSURE: 1877000 -6.22799 118.992 47.323 118.992 162.08 -36.7559 47.3216 -36.7557 -1.25101 GPRESSURE: 1877000 -13.3926 -87.388 -9.73599 131.785 199.97 -79.6761 128.971 -70.8822 54.5108 PRESSAVG: 1877000 35.9929 -49.6641 18.2736 -49.664 0.991964 -22.9328 18.2736 -22.9328 6.16574 GPRESSAVG: 1877000 36.4099 -47.8994 18.2742 -51.266 0.121571 -22.6249 18.6359 -25.1755 6.62356 TIMING: 1877000 CPU: 6007.64, 0.00317358/step Wall: 6007.64, 0.00317358/step, 2.75308 hours remaining, 231.316406 MB of memory in use. ENERGY: 1877000 3957.8725 20563.2161 14526.3342 239.7593 -203289.4232 2435.4066 0.0000 0.0000 51991.6368 -109575.1978 298.7967 -161566.8346 -109221.2642 298.3884 51.5338 80.3627 761063.0673 14.3835 14.3850 PRESSURE: 1877200 -267.76 194.17 38.6459 194.169 -564.791 84.6138 38.6457 84.6141 -512.641 GPRESSURE: 1877200 -213.769 130.031 -50.2552 39.0139 -500.962 77.4759 71.9262 153.574 -546.723 PRESSAVG: 1877200 -35.6871 -72.3132 55.1868 -72.3131 -7.43814 2.57566 55.1868 2.57577 -1.72717 GPRESSAVG: 1877200 -36.7973 -75.1952 54.9587 -69.0689 -6.71875 3.02108 55.644 3.62553 -0.938557 TIMING: 1877200 CPU: 6008.28, 0.00319417/step Wall: 6008.28, 0.00319417/step, 2.77077 hours remaining, 231.316406 MB of memory in use. ENERGY: 1877200 4068.8469 20498.9845 14502.1582 254.1669 -202785.3669 2092.6410 0.0000 0.0000 52007.9858 -109360.5837 298.8906 -161368.5695 -108997.9331 299.4241 -448.3974 -420.4849 761699.7737 -14.9508 -14.8182 PRESSURE: 1877400 -80.9084 -188.95 -66.3935 -188.949 -274.734 -36.8478 -66.394 -36.8473 -259.32 GPRESSURE: 1877400 -9.94587 -158.85 -158.279 -110.961 -294.764 13.1484 -104.138 -61.8012 -225.378 PRESSAVG: 1877400 -2.60597 -31.6269 21.7626 -31.6269 -28.3374 3.03855 21.7626 3.03858 1.54316 GPRESSAVG: 1877400 -2.31556 -30.0653 20.155 -32.9884 -28.2007 4.28134 22.7358 4.31309 0.516315 TIMING: 1877400 CPU: 6008.91, 0.00316212/step Wall: 6008.91, 0.00316212/step, 2.74279 hours remaining, 231.316406 MB of memory in use. ENERGY: 1877400 4005.0404 20532.7143 14413.6437 246.1401 -202815.7125 2311.1359 0.0000 0.0000 51999.4471 -109307.5910 298.8415 -161307.0381 -108948.5960 299.1677 -204.9873 -176.6961 760908.7741 -9.8001 -10.0000 PRESSURE: 1877600 -422.751 -5.07714 84.7062 -5.07746 -293.837 161.635 84.7066 161.634 63.9834 GPRESSURE: 1877600 -298.969 -2.06355 76.924 18.7978 -272.004 165.481 24.1443 186.774 12.8722 PRESSAVG: 1877600 33.0187 -48.157 53.1893 -48.157 -70.2643 -79.515 53.1894 -79.5151 -11.6869 GPRESSAVG: 1877600 33.0015 -48.2932 55.1654 -47.9767 -71.0922 -80.9022 50.4174 -81.0182 -10.9877 TIMING: 1877600 CPU: 6009.55, 0.00317469/step Wall: 6009.55, 0.00317469/step, 2.75351 hours remaining, 231.316406 MB of memory in use. ENERGY: 1877600 4033.3925 20550.8367 14524.4688 244.2332 -202811.5169 2341.6404 0.0000 0.0000 52019.9154 -109097.0299 298.9592 -161116.9452 -108737.7560 299.6271 -217.5350 -186.0337 762472.5093 -16.3108 -16.3595 PRESSURE: 1877800 -47.2282 -104.553 -43.2898 -104.552 49.2223 104.791 -43.2899 104.791 -21.9486 GPRESSURE: 1877800 -61.2209 -105.938 3.81907 -7.45575 71.4437 13.1531 -123.049 101.328 62.5025 PRESSAVG: 1877800 7.5418 -28.5868 -12.1373 -28.5867 3.38431 50.3487 -12.1373 50.3486 -1.82929 GPRESSAVG: 1877800 6.94809 -27.7399 -13.0386 -29.4746 4.8729 50.258 -11.6303 49.3821 -2.38997 TIMING: 1877800 CPU: 6010.18, 0.00317088/step Wall: 6010.18, 0.00317088/step, 2.75003 hours remaining, 231.316406 MB of memory in use. ENERGY: 1877800 3967.3478 20475.0937 14468.7261 253.6541 -202740.0048 2429.8467 0.0000 0.0000 52162.7791 -108982.5573 299.7802 -161145.3364 -108622.9111 299.6940 -6.6515 24.2418 760980.1248 3.0323 3.1437 PRESSURE: 1878000 -149.926 -103.718 -119.911 -103.717 -355.016 -47.1779 -119.911 -47.1775 -488.965 GPRESSURE: 1878000 -81.0232 -48.6538 -122.249 -94.1614 -351.691 16.3641 -66.6209 -23.8624 -465.424 PRESSAVG: 1878000 51.5891 -18.2123 -29.6833 -18.2123 -36.7498 -6.38313 -29.6833 -6.38312 5.60901 GPRESSAVG: 1878000 53.1821 -19.012 -29.4388 -17.2209 -38.3554 -6.59755 -30.8356 -3.55034 5.56151 TIMING: 1878000 CPU: 6010.81, 0.00315312/step Wall: 6010.81, 0.00315312/step, 2.73445 hours remaining, 231.316406 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: 1878000 3985.0700 20350.6898 14426.1915 240.2569 -202983.2126 2368.4897 0.0000 0.0000 52405.5537 -109206.9611 301.1754 -161612.5148 -108839.7687 300.0819 -331.3022 -299.3794 764821.0199 6.8161 6.7961 PRESSURE: 1878200 327.703 47.9523 138.09 47.9525 -79.046 -234.933 138.089 -234.932 -181.292 GPRESSURE: 1878200 251.001 -19.1383 154.387 -120.16 11.0803 -219.061 119.296 -114.223 -95.2355 PRESSAVG: 1878200 3.57718 -25.5387 37.7083 -25.5387 2.31364 -12.8577 37.7082 -12.8577 14.3192 GPRESSAVG: 1878200 2.44612 -26.9708 38.349 -27.3183 2.1651 -11.6591 40.2425 -13.6719 15.4374 TIMING: 1878200 CPU: 6011.45, 0.00316584/step Wall: 6011.45, 0.00316584/step, 2.74531 hours remaining, 231.316406 MB of memory in use. ENERGY: 1878200 4057.6169 20512.6388 14446.4262 256.2369 -203097.6602 2524.0508 0.0000 0.0000 52181.0874 -109119.6032 299.8854 -161300.6906 -108760.3134 299.6872 22.4552 55.6152 761081.9456 6.7367 6.6829 PRESSURE: 1878400 227.987 72.2758 102.509 72.2754 26.8552 22.9349 102.51 22.935 202.844 GPRESSURE: 1878400 363.318 67.7894 89.3507 108.986 35.7905 51.5924 97.3391 37.6252 160.467 PRESSAVG: 1878400 19.2876 -44.8466 -35.8518 -44.8465 -72.4187 16.011 -35.8518 16.011 -14.0985 GPRESSAVG: 1878400 19.4967 -43.3914 -36.2378 -43.6322 -71.1126 15.4423 -37.1378 16.0317 -15.6509 TIMING: 1878400 CPU: 6012.08, 0.00315976/step Wall: 6012.08, 0.00315976/step, 2.73986 hours remaining, 231.316406 MB of memory in use. ENERGY: 1878400 3980.1625 20339.5069 14473.3131 230.7807 -202808.9705 2465.3623 0.0000 0.0000 52182.3763 -109137.4688 299.8928 -161319.8451 -108777.9209 300.0986 152.5621 186.5250 762865.3311 -22.4099 -22.4223 PRESSURE: 1878600 -116.769 -104.631 -157.349 -104.63 -258.72 -93.3243 -157.349 -93.324 -379.548 GPRESSURE: 1878600 -91.4888 -125.868 -85.8307 -104.934 -203.241 -119.744 -149.537 -59.0834 -373.222 PRESSAVG: 1878600 37.0573 -17.3711 -0.68282 -17.3711 -35.9224 -52.4464 -0.682864 -52.4464 2.17806 GPRESSAVG: 1878600 37.8147 -19.6353 -1.18851 -18.7419 -36.8742 -52.8947 0.052357 -52.4476 1.97571 TIMING: 1878600 CPU: 6012.71, 0.00317394/step Wall: 6012.71, 0.00317394/step, 2.75198 hours remaining, 231.316406 MB of memory in use. ENERGY: 1878600 3993.8136 20407.4270 14522.7493 240.5290 -203487.0788 2639.9689 0.0000 0.0000 52389.9283 -109292.6628 301.0856 -161682.5910 -108930.9338 299.5382 -251.6788 -222.6504 762434.1538 1.1043 0.9720 PRESSURE: 1878800 75.4136 -76.7377 -240.696 -76.7375 83.4406 50.4427 -240.697 50.4426 101.769 GPRESSURE: 1878800 73.0557 22.2826 -255.978 -55.4257 152.355 -11.6574 -196.286 -14.1437 134.62 PRESSAVG: 1878800 22.3387 -34.9921 12.2745 -34.9921 15.8663 -30.4427 12.2744 -30.4427 -13.3248 GPRESSAVG: 1878800 20.5946 -33.7994 13.1499 -32.5682 16.2416 -30.398 12.5247 -31.3286 -11.881 TIMING: 1878800 CPU: 6013.35, 0.0031745/step Wall: 6013.35, 0.0031745/step, 2.75229 hours remaining, 231.316406 MB of memory in use. ENERGY: 1878800 3971.3754 20655.9086 14464.6264 250.2713 -203700.3389 3014.7188 0.0000 0.0000 52186.4105 -109157.0280 299.9160 -161343.4384 -108801.1754 299.7030 86.8743 120.0101 762395.3937 8.2934 8.3184 PRESSURE: 1879000 375.717 -77.0911 8.16278 -77.0923 -205.11 -138.874 8.16216 -138.872 17.1722 GPRESSURE: 1879000 393.31 -101.375 28.5071 -137.227 -214.752 -166.273 -41.0609 -84.3006 76.8586 PRESSAVG: 1879000 82.8842 -59.4046 -5.05274 -59.4046 -66.4101 -11.0583 -5.0527 -11.0582 -2.03039 GPRESSAVG: 1879000 83.4669 -58.4582 -4.63478 -61.6133 -67.2231 -11.9182 -5.3589 -10.0731 -2.20161 TIMING: 1879000 CPU: 6013.98, 0.00315759/step Wall: 6013.98, 0.00315759/step, 2.73745 hours remaining, 231.316406 MB of memory in use. ENERGY: 1879000 3977.5239 20470.8914 14427.6537 234.5041 -202815.1969 2526.3084 0.0000 0.0000 52002.0247 -109176.2908 298.8564 -161178.3155 -108807.2343 299.6946 62.5931 85.1388 760990.6603 4.8146 4.6807 PRESSURE: 1879200 -69.5887 -88.9866 112.397 -88.9879 37.3182 290.895 112.395 290.896 -135.366 GPRESSURE: 1879200 -69.4594 -120.63 103.584 -84.1355 92.9397 238.782 54.2329 220.451 -112.423 PRESSAVG: 1879200 59.5801 -45.9384 33.9435 -45.9385 4.84706 -15.6396 33.9435 -15.6395 -3.9222 GPRESSAVG: 1879200 58.1671 -47.688 32.4349 -43.3613 5.64932 -13.8316 34.1304 -15.3962 -3.36626 TIMING: 1879200 CPU: 6014.62, 0.00318687/step Wall: 6014.62, 0.00318687/step, 2.76266 hours remaining, 231.316406 MB of memory in use. ENERGY: 1879200 3986.8206 20552.8428 14405.5009 247.6444 -203362.4544 2525.7224 0.0000 0.0000 52314.6602 -109329.2630 300.6531 -161643.9232 -108967.1731 299.4427 -55.8787 -29.6476 759012.4998 20.1683 20.1500 PRESSURE: 1879400 -52.8698 126.117 -10.9789 126.117 -167.935 -143.471 -10.979 -143.471 -27.9441 GPRESSURE: 1879400 -25.5148 229.397 30.4462 67.3443 -151.23 -207.661 -87.2535 -3.70919 13.6604 PRESSAVG: 1879400 16.6089 -3.44649 5.26449 -3.44657 -14.1638 3.23388 5.26441 3.2338 -52.1924 GPRESSAVG: 1879400 16.3328 -1.62596 6.96014 -5.20445 -14.2023 1.82649 4.87971 3.36113 -51.9965 TIMING: 1879400 CPU: 6015.25, 0.00316488/step Wall: 6015.25, 0.00316488/step, 2.74342 hours remaining, 231.316406 MB of memory in use. ENERGY: 1879400 4019.8388 20488.3998 14528.9836 240.2186 -202919.7884 2189.1241 0.0000 0.0000 52026.3337 -109426.8897 298.9961 -161453.2234 -109062.3032 299.2816 -82.9161 -54.3614 760337.2859 -16.5824 -16.6220 PRESSURE: 1879600 50.2738 61.7846 -81.7654 61.7848 -271.452 215.68 -81.7649 215.679 353.108 GPRESSURE: 1879600 2.00285 49.9802 3.28861 192.154 -82.9423 87.105 -105.645 172.244 308.489 PRESSAVG: 1879600 26.5383 -46.6781 -16.8075 -46.6781 2.0663 6.1567 -16.8075 6.15671 -10.6584 GPRESSAVG: 1879600 28.1081 -47.9888 -17.7871 -44.9489 3.39884 5.58383 -16.4392 5.8345 -12.4071 TIMING: 1879600 CPU: 6015.89, 0.00318051/step Wall: 6015.89, 0.00318051/step, 2.75679 hours remaining, 231.316406 MB of memory in use. ENERGY: 1879600 4060.0644 20271.7197 14578.2495 267.7858 -203399.8315 2634.5438 0.0000 0.0000 52152.9944 -109434.4738 299.7240 -161587.4681 -109080.8990 299.3093 43.9769 75.8500 761540.4968 5.9821 6.3666 PRESSURE: 1879800 26.6993 167.69 -193.656 167.691 103.574 8.25478 -193.655 8.25515 -280.609 GPRESSURE: 1879800 35.1697 157.414 -245.763 98.4417 122.974 124.967 -197.764 -4.8137 -219.166 PRESSAVG: 1879800 -12.27 16.5803 -3.39598 16.5803 -2.82475 -38.745 -3.39595 -38.7451 -26.0382 GPRESSAVG: 1879800 -11.1154 17.9925 -4.18301 12.4631 -4.54194 -38.0159 -4.24878 -39.4052 -25.5391 TIMING: 1879800 CPU: 6016.52, 0.00318453/step Wall: 6016.52, 0.00318453/step, 2.7601 hours remaining, 231.316406 MB of memory in use. ENERGY: 1879800 4003.8531 20360.1489 14472.6925 248.4022 -203359.9059 2734.8366 0.0000 0.0000 52065.8360 -109474.1367 299.2231 -161539.9727 -109115.5281 299.5188 -50.1118 -20.3408 761423.8419 -13.7110 -13.7322 PRESSURE: 1880000 266.364 -117.643 48.8666 -117.644 -193.813 -197.017 48.8667 -197.018 -278.992 GPRESSURE: 1880000 257.804 -71.258 77.8125 -137.757 -113.251 -253.094 93.7055 -260.222 -268.581 PRESSAVG: 1880000 27.2659 -29.99 -12.4775 -29.99 -31.2503 6.98036 -12.4776 6.9805 1.99259 GPRESSAVG: 1880000 27.6086 -29.2667 -10.7451 -28.4244 -30.326 7.31583 -12.2961 5.68164 1.8065 TIMING: 1880000 CPU: 6017.16, 0.00318159/step Wall: 6017.16, 0.00318159/step, 2.75738 hours remaining, 231.316406 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: 1880000 4022.9940 20334.9806 14482.7313 236.0970 -203023.5334 2381.9779 0.0000 0.0000 52198.1034 -109366.6491 299.9832 -161564.7525 -108995.6166 299.0624 -68.8139 -41.3429 760900.2398 -0.6639 -0.3037 PRESSURE: 1880200 140.023 -77.999 -126.509 -77.9991 274.182 -59.065 -126.509 -59.0653 380.954 GPRESSURE: 1880200 197.747 -75.5896 -169.437 -25.4107 279.579 -45.504 -236.446 -47.6641 395.787 PRESSAVG: 1880200 14.2519 -28.2187 11.6795 -28.2187 -11.9152 -47.2627 11.6794 -47.2626 8.74504 GPRESSAVG: 1880200 14.3496 -28.6738 11.4157 -27.2956 -12.9625 -47.1257 10.8871 -45.2825 9.09724 TIMING: 1880200 CPU: 6017.79, 0.00316066/step Wall: 6017.79, 0.00316066/step, 2.73907 hours remaining, 231.316406 MB of memory in use. ENERGY: 1880200 3928.9919 20546.9485 14512.0793 242.7345 -203357.8455 2509.5023 0.0000 0.0000 52217.1722 -109400.4168 300.0928 -161617.5890 -109030.0801 299.5834 265.0529 291.0373 759013.0566 3.6939 3.4948 LDB: ============= START OF LOAD BALANCING ============== 6030.21 LDB: ============== END OF LOAD BALANCING =============== 6030.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6030.22 LDB: ============= START OF LOAD BALANCING ============== 6030.53 LDB: Largest compute 7033 load 0.037722 is 19.3% of average load 0.195380 LDB: Average compute 0.004412 is 2.3% of average load 0.195380 LDB: TIME 6030.54 LOAD: AVG 0.19538 MAX 0.215511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.09 MB LDB: TIME 6030.54 LOAD: AVG 0.19538 MAX 0.215511 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.094 MB LDB: TIME 6030.54 LOAD: AVG 0.19538 MAX 0.215511 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.094 MB LDB: ============== END OF LOAD BALANCING =============== 6030.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6030.54 PRESSURE: 1880400 -23.3376 7.09324 98.0573 7.09281 64.8625 18.304 98.0574 18.3037 721.276 GPRESSURE: 1880400 54.5023 44.7597 122.161 11.0679 91.108 -8.68388 51.8981 -38.6263 700.573 PRESSAVG: 1880400 37.3098 -23.6049 22.3673 -23.605 3.53089 -25.7185 22.3673 -25.7185 -15.692 GPRESSAVG: 1880400 35.7561 -24.1898 21.288 -23.6878 4.95728 -26.2284 23.7166 -25.1933 -15.5741 TIMING: 1880400 CPU: 6018.44, 0.00323506/step Wall: 6018.44, 0.00323506/step, 2.80336 hours remaining, 232.082031 MB of memory in use. ENERGY: 1880400 3939.7346 20721.8927 14479.0880 253.2266 -203465.9045 2397.8476 0.0000 0.0000 52251.7326 -109422.3823 300.2914 -161674.1150 -109056.9121 300.2645 254.2670 282.0611 759264.9584 8.3829 8.3797 PRESSURE: 1880600 308.529 72.4793 -98.5186 72.4792 161.583 97.3342 -98.518 97.3335 134.907 GPRESSURE: 1880600 370.439 106.822 -146.591 156.94 205.654 101.802 -58.7458 179.447 130.811 PRESSAVG: 1880600 27.2332 5.36992 -1.58221 5.36992 -28.7998 48.247 -1.58217 48.247 6.11367 GPRESSAVG: 1880600 28.4629 6.49451 0.225709 4.86839 -28.6341 47.4736 -2.61621 47.822 5.68935 TIMING: 1880600 CPU: 6019.07, 0.00317247/step Wall: 6019.07, 0.00317247/step, 2.74895 hours remaining, 232.285156 MB of memory in use. ENERGY: 1880600 3955.8928 20569.8640 14498.8859 234.9587 -203895.3499 2660.5028 0.0000 0.0000 52406.7259 -109568.5197 301.1822 -161975.2456 -109211.7967 299.6614 201.6730 235.6345 759729.5523 1.5157 1.8394 PRESSURE: 1880800 52.9608 2.28042 -167.122 2.28037 -17.9162 -28.2852 -167.122 -28.2859 219.812 GPRESSURE: 1880800 189.477 -11.5981 -38.8801 45.7587 -65.2916 74.5456 -179.616 -51.9586 197.333 PRESSAVG: 1880800 24.2242 -55.75 21.7752 -55.75 -56.5584 34.9442 21.7753 34.9442 15.0669 GPRESSAVG: 1880800 24.3726 -56.1483 20.7893 -57.2282 -57.0357 35.4895 22.1361 33.4677 15.274 TIMING: 1880800 CPU: 6019.71, 0.00317588/step Wall: 6019.71, 0.00317588/step, 2.75172 hours remaining, 232.285156 MB of memory in use. ENERGY: 1880800 4060.9266 20466.6499 14493.2048 259.9500 -203378.3970 2534.9741 0.0000 0.0000 52163.6054 -109399.0863 299.7850 -161562.6917 -109034.9549 299.1898 84.9522 107.1727 761242.4791 -5.7558 -5.7964 PRESSURE: 1881000 -216.491 163.791 -98.787 163.791 -178.217 249.868 -98.7876 249.868 -443.84 GPRESSURE: 1881000 -241.601 214.145 -100.931 153.038 -129 260.978 -117.153 279.625 -372.773 PRESSAVG: 1881000 54.4686 1.7069 23.6977 1.70694 -57.6484 36.6425 23.6977 36.6426 0.271319 GPRESSAVG: 1881000 55.1702 0.507043 22.1396 4.8218 -57.6673 37.7289 23.9644 36.4939 -0.308188 TIMING: 1881000 CPU: 6020.35, 0.00319202/step Wall: 6020.35, 0.00319202/step, 2.76553 hours remaining, 232.285156 MB of memory in use. ENERGY: 1881000 4018.7713 20453.1076 14491.1314 235.0455 -203038.8351 2217.8294 0.0000 0.0000 52053.4656 -109569.4843 299.1520 -161622.9499 -109197.2967 299.2128 -279.5162 -247.7915 761931.1340 -0.9695 -0.9351 PRESSURE: 1881200 22.3696 124.832 282.679 124.831 -198.573 14.1024 282.678 14.1029 -358.292 GPRESSURE: 1881200 47.7899 216.246 201.39 -20.0872 -121.273 56.3565 275.035 -13.8559 -350.727 PRESSAVG: 1881200 55.194 8.89226 9.18707 8.8922 -67.255 -5.26929 9.18704 -5.26917 -21.9717 GPRESSAVG: 1881200 53.4625 11.6159 9.40957 6.89132 -66.904 -6.3302 7.71556 -6.22697 -20.4081 TIMING: 1881200 CPU: 6020.98, 0.0031713/step Wall: 6020.98, 0.0031713/step, 2.7474 hours remaining, 232.285156 MB of memory in use. ENERGY: 1881200 3985.8541 20631.3597 14525.4925 250.5135 -203279.2280 2340.9261 0.0000 0.0000 51994.9916 -109550.0905 298.8159 -161545.0821 -109189.9157 299.0828 -178.1651 -141.4034 764030.6717 -11.3442 -11.2832 PRESSURE: 1881400 66.4711 -10.1945 85.7057 -10.1948 -273.341 -133.327 85.7056 -133.328 107.613 GPRESSURE: 1881400 63.775 -57.1329 175.218 -8.53454 -267.331 -196.568 -70.4578 -26.0614 176.359 PRESSAVG: 1881400 81.9133 -34.7466 0.252778 -34.7466 -63.0495 67.4746 0.252767 67.4746 -6.62944 GPRESSAVG: 1881400 82.624 -36.6415 2.48547 -34.5425 -63.6687 67.581 -1.68602 67.5404 -7.19666 TIMING: 1881400 CPU: 6021.61, 0.00316991/step Wall: 6021.61, 0.00316991/step, 2.74602 hours remaining, 232.285156 MB of memory in use. ENERGY: 1881400 4014.2947 20484.6571 14520.5716 259.0316 -203459.5331 2724.2255 0.0000 0.0000 51935.9102 -109520.8425 298.4764 -161456.7526 -109153.4098 299.6603 -33.0857 -9.0657 761293.1414 4.0781 3.9195 PRESSURE: 1881600 -37.5237 -126.879 -152.083 -126.879 -386.187 -5.7931 -152.083 -5.79336 -4.14857 GPRESSURE: 1881600 -80.6984 -171.737 -142.512 -115.831 -205.173 2.51338 19.2828 -33.2987 -45.1167 PRESSAVG: 1881600 11.2918 -1.36678 -53.1949 -1.36683 -10.9299 45.6372 -53.1949 45.6372 -28.7539 GPRESSAVG: 1881600 9.14607 -0.0294583 -53.1324 -0.198476 -9.66932 46.5178 -51.0082 47.5891 -27.7146 TIMING: 1881600 CPU: 6022.24, 0.00314547/step Wall: 6022.24, 0.00314547/step, 2.72467 hours remaining, 232.285156 MB of memory in use. ENERGY: 1881600 4005.1825 20386.5393 14493.7677 242.6669 -203350.9169 2516.3203 0.0000 0.0000 52068.2760 -109638.1642 299.2371 -161706.4402 -109261.2984 298.7380 -142.6199 -110.3293 761003.4373 -9.4640 -9.4126 PRESSURE: 1881800 341.785 -294.912 13.2044 -294.912 -16.0012 -130.964 13.2044 -130.964 272.219 GPRESSURE: 1881800 304.058 -275.62 -30.1708 -148.284 126.422 -154.704 111.259 -37.2472 268.524 PRESSAVG: 1881800 44.8666 9.67796 -34.3383 9.67803 6.67374 41.5999 -34.3382 41.5999 1.36935 GPRESSAVG: 1881800 46.1417 8.46458 -34.8573 10.5051 6.64827 40.2061 -33.2447 41.1142 0.287066 TIMING: 1881800 CPU: 6022.87, 0.00315896/step Wall: 6022.87, 0.00315896/step, 2.73619 hours remaining, 232.285156 MB of memory in use. ENERGY: 1881800 3949.4170 20481.0388 14494.4659 262.4585 -203356.9802 2464.1502 0.0000 0.0000 52032.7998 -109672.6500 299.0332 -161705.4497 -109303.4679 299.0143 199.3341 233.0014 759866.2037 17.6366 17.6923 PRESSURE: 1882000 -238.02 -167.077 199.175 -167.076 -197.862 -68.1336 199.175 -68.1331 -461.371 GPRESSURE: 1882000 -229.137 -158.69 80.0244 -177.092 -119.181 -5.44875 83.0435 20.7935 -480.828 PRESSAVG: 1882000 72.8891 -61.2789 67.1807 -61.2789 -70.2444 29.3808 67.1807 29.3808 -1.72278 GPRESSAVG: 1882000 72.8809 -60.4884 67.6755 -61.3641 -70.5124 29.0612 68.0252 29.0604 -1.54201 TIMING: 1882000 CPU: 6023.51, 0.00317627/step Wall: 6023.51, 0.00317627/step, 2.751 hours remaining, 232.285156 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: 1882000 3955.0813 20660.8407 14428.1486 252.3367 -203099.1951 2252.0497 0.0000 0.0000 52153.9106 -109396.8274 299.7292 -161550.7380 -109036.6302 299.5518 -299.0845 -276.3820 762811.6966 0.3073 0.2755 PRESSURE: 1882200 -74.7284 -46.2075 114.83 -46.2085 -263.162 264.845 114.83 264.845 209.826 GPRESSURE: 1882200 4.87166 -68.7675 148.039 -124.737 -148.827 196.759 100.879 194.062 113.067 PRESSAVG: 1882200 57.8051 22.8665 13.951 22.8665 -71.8551 -6.23193 13.9509 -6.23192 3.06117 GPRESSAVG: 1882200 59.0846 21.7671 12.8849 21.9628 -72.8123 -4.06272 12.8784 -7.78207 2.45109 TIMING: 1882200 CPU: 6024.14, 0.00317117/step Wall: 6024.14, 0.00317117/step, 2.74641 hours remaining, 232.285156 MB of memory in use. ENERGY: 1882200 3933.0657 20643.1501 14475.2669 242.2455 -203188.1861 2382.0896 0.0000 0.0000 52185.1018 -109327.2664 299.9085 -161512.3682 -108972.2325 299.8998 -42.6881 -10.2964 761045.7564 -3.6629 -3.7589 PRESSURE: 1882400 -214.442 -233.186 -55.5713 -233.186 -197.587 -128.907 -55.5713 -128.907 -220.513 GPRESSURE: 1882400 -177.365 -191.264 -6.21672 -268.658 -127.96 -147.969 -66.8949 -70.6861 -219.718 PRESSAVG: 1882400 -29.8751 38.4167 40.2654 38.4167 -3.60154 0.584766 40.2654 0.584756 -1.71997 GPRESSAVG: 1882400 -30.4274 40.4766 42.4257 36.2072 -2.74486 0.538805 36.2029 0.367593 -1.47238 TIMING: 1882400 CPU: 6024.77, 0.00315244/step Wall: 6024.77, 0.00315244/step, 2.73002 hours remaining, 232.285156 MB of memory in use. ENERGY: 1882400 3981.7976 20575.3158 14531.3460 267.2501 -202976.3601 2320.4069 0.0000 0.0000 51994.7621 -109305.4817 298.8146 -161300.2438 -108934.6167 299.5368 -210.8474 -175.0143 760696.9206 -11.7322 -11.5482 PRESSURE: 1882600 144.6 68.3175 -262.186 68.3176 121.807 -133.992 -262.187 -133.993 -27.4403 GPRESSURE: 1882600 169.732 119.988 -304.612 150.362 148.396 -54.8983 -142.565 -107.223 21.4998 PRESSAVG: 1882600 35.949 -15.6451 13.1103 -15.6451 12.0643 40.1849 13.1103 40.1847 13.5397 GPRESSAVG: 1882600 35.6073 -16.3764 10.1748 -13.1336 12.3093 41.3856 15.9581 40.3426 13.0839 TIMING: 1882600 CPU: 6025.41, 0.00317047/step Wall: 6025.41, 0.00317047/step, 2.74545 hours remaining, 232.285156 MB of memory in use. ENERGY: 1882600 3952.4735 20568.6045 14495.6236 266.7352 -203478.6984 2614.7447 0.0000 0.0000 52312.5845 -109267.9323 300.6411 -161580.5168 -108909.8892 300.0939 79.6553 113.2091 759566.0476 20.5177 20.3335 PRESSURE: 1882800 -124.038 -23.0386 80.2907 -23.0394 -63.7981 172.025 80.2897 172.025 172.182 GPRESSURE: 1882800 -31.3448 -40.9488 77.2942 84.9498 -49.6951 150.125 138.714 208.272 165.479 PRESSAVG: 1882800 -23.4713 56.8967 9.57119 56.8967 -2.7493 -27.8802 9.57109 -27.8801 -39.917 GPRESSAVG: 1882800 -24.1746 56.1493 10.5933 57.976 -2.7974 -29.4828 11.4789 -28.3491 -39.3869 TIMING: 1882800 CPU: 6026.04, 0.00316776/step Wall: 6026.04, 0.00316776/step, 2.74293 hours remaining, 232.285156 MB of memory in use. ENERGY: 1882800 3985.9589 20577.6970 14493.4937 265.6552 -203156.1120 2471.8532 0.0000 0.0000 52072.7734 -109288.6804 299.2629 -161361.4538 -108931.0242 299.8566 -5.2179 28.1462 760139.8511 -22.0459 -22.1196 PRESSURE: 1883000 -92.9347 -245.097 -53.1343 -245.097 1.2083 -50.4127 -53.1347 -50.4116 134.673 GPRESSURE: 1883000 -98.6377 -248.177 -95.6595 -239.643 27.1956 18.0373 -5.00442 -56.7172 181.87 PRESSAVG: 1883000 51.6156 -64.0341 -19.0114 -64.0341 -61.0633 -36.0358 -19.0113 -36.0358 29.333 GPRESSAVG: 1883000 52.2484 -65.0018 -18.8067 -64.4165 -60.6008 -36.2458 -20.8601 -35.734 27.9735 TIMING: 1883000 CPU: 6026.68, 0.00318682/step Wall: 6026.68, 0.00318682/step, 2.75925 hours remaining, 232.285156 MB of memory in use. ENERGY: 1883000 3869.7697 20630.8205 14483.6193 238.0348 -203176.9579 2410.9433 0.0000 0.0000 52416.5981 -109127.1720 301.2389 -161543.7701 -108763.0785 299.6099 14.3154 36.8094 760639.9013 6.6285 6.5404 PRESSURE: 1883200 81.9303 122.736 123.584 122.736 -355.793 28.3016 123.585 28.3015 -35.3772 GPRESSURE: 1883200 18.5534 16.2427 147.786 205.92 -226.574 63.8328 4.80568 57.9958 -22.8011 PRESSAVG: 1883200 -22.792 -17.2781 -18.8911 -17.2782 -16.7258 15.6025 -18.8911 15.6026 2.70959 GPRESSAVG: 1883200 -22.8891 -17.5928 -20.0268 -18.5143 -18.0059 16.0706 -19.8977 17.1881 3.80944 TIMING: 1883200 CPU: 6027.32, 0.00317821/step Wall: 6027.32, 0.00317821/step, 2.75163 hours remaining, 232.285156 MB of memory in use. ENERGY: 1883200 3951.2052 20560.9417 14509.7367 250.2194 -203141.2820 2428.3920 0.0000 0.0000 52245.4047 -109195.3823 300.2551 -161440.7870 -108818.7708 300.2827 -103.0799 -76.9407 762604.8869 -12.2694 -12.3619 PRESSURE: 1883400 203.388 -39.7362 20.6232 -39.7365 118.357 117.598 20.6231 117.598 -151.19 GPRESSURE: 1883400 285.957 -52.9442 107.764 -31.757 43.1557 4.67308 16.0956 -63.4617 -88.574 PRESSAVG: 1883400 1.77222 -27.1311 1.47504 -27.131 9.51073 32.1847 1.47507 32.1846 -7.26253 GPRESSAVG: 1883400 1.15115 -24.1651 3.60948 -27.4864 10.238 32.1499 2.45207 29.5053 -6.79055 TIMING: 1883400 CPU: 6027.95, 0.00318014/step Wall: 6027.95, 0.00318014/step, 2.75312 hours remaining, 232.285156 MB of memory in use. ENERGY: 1883400 3967.9422 20647.0424 14560.1987 277.0955 -202993.3507 2385.5702 0.0000 0.0000 52203.5995 -108951.9022 300.0148 -161155.5017 -108595.5893 300.0979 56.8516 80.1796 760805.1772 1.3401 1.5329 PRESSURE: 1883600 14.8454 -173.891 232.599 -173.89 212.71 -82.8364 232.599 -82.8355 -5.28876 GPRESSURE: 1883600 30.7577 -73.315 188.512 -96.2925 236.21 -128.159 301.663 14.6565 42.0387 PRESSAVG: 1883600 -33.6077 -46.2811 16.639 -46.2811 13.5655 10.4087 16.639 10.4087 7.36813 GPRESSAVG: 1883600 -33.0459 -46.1864 14.9952 -47.0016 12.3191 8.40884 18.676 10.6749 7.68537 TIMING: 1883600 CPU: 6028.59, 0.00317766/step Wall: 6028.59, 0.00317766/step, 2.7508 hours remaining, 232.285156 MB of memory in use. ENERGY: 1883600 4101.1635 20717.3760 14548.4680 241.8784 -202890.4983 2379.1481 0.0000 0.0000 51877.8207 -109024.6436 298.1425 -160902.4643 -108664.3448 300.2950 74.0888 103.0023 759871.8512 -4.2247 -4.3471 PRESSURE: 1883800 -42.6285 75.1086 14.3083 75.1075 -96.15 48.911 14.307 48.9112 -272.223 GPRESSURE: 1883800 -41.116 110.835 -66.6085 119.315 -66.0187 122.848 46.8425 0.681489 -235.229 PRESSAVG: 1883800 52.5597 -37.628 13.057 -37.6279 -62.5835 6.87814 13.0569 6.8782 -9.27321 GPRESSAVG: 1883800 53.6203 -39.5121 12.4518 -36.2954 -62.4282 7.4603 11.2869 8.75436 -10.5112 TIMING: 1883800 CPU: 6029.22, 0.00314746/step Wall: 6029.22, 0.00314746/step, 2.72448 hours remaining, 232.285156 MB of memory in use. ENERGY: 1883800 4040.3566 20534.3195 14463.0250 253.6553 -203015.2480 2287.0383 0.0000 0.0000 52465.1948 -108971.6583 301.5182 -161436.8532 -108605.2579 300.5810 -137.0004 -114.1214 760861.8297 -6.4324 -6.4397 PRESSURE: 1884000 -272.694 -199.311 -256.111 -199.311 -29.8547 -61.0989 -256.111 -61.098 -54.1443 GPRESSURE: 1884000 -291.314 -176.252 -349.411 -298.856 68.3271 -28.4198 -165.814 -39.0008 -31.6354 PRESSAVG: 1884000 27.499 -47.2259 -19.8759 -47.226 -40.3506 -1.06128 -19.8759 -1.0613 18.8359 GPRESSAVG: 1884000 26.3281 -46.2117 -19.5361 -49.0223 -39.9252 -1.72787 -19.6167 -1.59672 19.4782 TIMING: 1884000 CPU: 6029.85, 0.00314265/step Wall: 6029.85, 0.00314265/step, 2.72014 hours remaining, 232.285156 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: 1884000 3940.6442 20563.0647 14512.0998 244.1952 -203039.0721 2325.4991 0.0000 0.0000 52448.1928 -109005.3763 301.4205 -161453.5691 -108633.0756 301.0141 -118.8977 -84.8742 760636.5717 1.9948 1.9604 PRESSURE: 1884200 278.35 220.127 90.7119 220.128 150.002 -5.22713 90.7114 -5.22776 229.064 GPRESSURE: 1884200 315.897 199.144 92.4691 208.04 205.071 -31.5006 93.6072 -103.748 257.692 PRESSAVG: 1884200 62.7839 -65.4466 1.65855 -65.4466 -109.638 37.3834 1.65852 37.3834 25.458 GPRESSAVG: 1884200 63.6174 -65.3692 1.29481 -62.9731 -110.977 37.9427 1.22104 38.8264 26.0244 TIMING: 1884200 CPU: 6030.48, 0.00315671/step Wall: 6030.48, 0.00315671/step, 2.73214 hours remaining, 232.285156 MB of memory in use. ENERGY: 1884200 3993.4555 20542.5382 14446.5393 238.3313 -203050.4725 2580.5709 0.0000 0.0000 52192.7368 -109056.3005 299.9524 -161249.0373 -108692.2794 300.2776 219.1388 259.5534 760811.1850 -7.1319 -7.1117 LDB: ============= START OF LOAD BALANCING ============== 6042.9 LDB: ============== END OF LOAD BALANCING =============== 6042.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6042.9 LDB: ============= START OF LOAD BALANCING ============== 6043.22 LDB: Largest compute 7033 load 0.035175 is 18.0% of average load 0.195451 LDB: Average compute 0.004407 is 2.3% of average load 0.195451 LDB: TIME 6043.22 LOAD: AVG 0.195451 MAX 0.216071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.125 MB LDB: TIME 6043.22 LOAD: AVG 0.195451 MAX 0.216071 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: TIME 6043.22 LOAD: AVG 0.195451 MAX 0.216071 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.125 MB LDB: ============== END OF LOAD BALANCING =============== 6043.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6043.23 PRESSURE: 1884400 97.4045 -33.3984 -6.30789 -33.3987 0.154765 -116.185 -6.30725 -116.185 47.1732 GPRESSURE: 1884400 86.5247 49.8849 16.6887 -82.1145 92.5266 -125.881 -55.3899 -133.558 38.6863 PRESSAVG: 1884400 31.4747 -22.3291 6.41428 -22.329 -47.749 -4.49143 6.41421 -4.4915 4.85751 GPRESSAVG: 1884400 30.3512 -22.3792 8.99422 -23.8498 -46.8227 -5.31825 4.74118 -4.75825 4.29529 TIMING: 1884400 CPU: 6031.12, 0.00322632/step Wall: 6031.12, 0.00322632/step, 2.7922 hours remaining, 231.312500 MB of memory in use. ENERGY: 1884400 3947.0577 20710.3906 14500.2847 272.1685 -202998.7853 2539.7109 0.0000 0.0000 51923.2337 -109105.9392 298.4035 -161029.1729 -108735.0180 300.6909 48.2442 72.5792 760675.2526 -3.8056 -4.0587 PRESSURE: 1884600 22.0977 -25.778 -37.1791 -25.7781 170.048 231.758 -37.1795 231.757 45.6907 GPRESSURE: 1884600 82.6741 -33.8637 -76.4065 15.3027 166.973 217.288 13.4751 264.158 69.5495 PRESSAVG: 1884600 52.2213 -9.33204 -34.0737 -9.33202 -23.5971 50.9035 -34.0738 50.9033 4.45194 GPRESSAVG: 1884600 51.9557 -11.1669 -36.179 -8.50881 -24.1909 53.4432 -31.7076 48.1195 4.53458 TIMING: 1884600 CPU: 6031.76, 0.0031695/step Wall: 6031.76, 0.0031695/step, 2.74285 hours remaining, 231.566406 MB of memory in use. ENERGY: 1884600 3940.5613 20662.4114 14464.5606 257.3091 -202725.8603 2304.5856 0.0000 0.0000 52110.3975 -108986.0348 299.4792 -161096.4323 -108607.2360 300.4973 79.2787 106.3987 762154.4587 11.0254 10.7665 PRESSURE: 1884800 47.117 -74.3059 -65.3976 -74.3064 -149.993 -96.9593 -65.3975 -96.9599 112.455 GPRESSURE: 1884800 -63.4408 -79.4834 -44.3347 -90.6286 55.9904 -94.2347 -84.5118 -154.882 106.653 PRESSAVG: 1884800 -5.10484 -26.43 -7.52213 -26.43 -7.63915 28.1166 -7.52217 28.1167 -3.37398 GPRESSAVG: 1884800 -5.45747 -24.0772 -7.34623 -27.7307 -6.79379 27.0607 -7.35703 29.4132 -2.71699 TIMING: 1884800 CPU: 6032.39, 0.003179/step Wall: 6032.39, 0.003179/step, 2.7509 hours remaining, 231.566406 MB of memory in use. ENERGY: 1884800 4062.6486 20456.1438 14524.6750 255.2078 -203233.7495 2693.6295 0.0000 0.0000 52427.7820 -108813.6628 301.3032 -161241.4448 -108448.5196 300.0127 3.1930 33.0676 761352.3170 -5.3727 -4.9894 PRESSURE: 1885000 168.187 -123.205 -39.2393 -123.205 20.2289 -70.0113 -39.2401 -70.0107 67.4312 GPRESSURE: 1885000 201.598 -71.968 47.7216 -136.667 74.1346 -87.9227 21.9876 -22.8748 89.6599 PRESSAVG: 1885000 18.9376 32.6779 16.4448 32.6779 23.834 33.8424 16.4448 33.8423 15.2822 GPRESSAVG: 1885000 21.6401 31.024 17.4957 34.1558 23.0316 34.1741 14.6164 32.3627 13.7458 TIMING: 1885000 CPU: 6033.03, 0.00318987/step Wall: 6033.03, 0.00318987/step, 2.76013 hours remaining, 231.636719 MB of memory in use. ENERGY: 1885000 4028.8149 20515.9330 14432.1318 253.0395 -202961.6816 2322.8726 0.0000 0.0000 52252.6258 -109156.2640 300.2966 -161408.8898 -108786.3080 300.1479 85.2825 121.7975 761930.2062 19.3513 19.4725 PRESSURE: 1885200 -120.96 150.701 -97.7047 150.701 187.878 13.4592 -97.7051 13.4595 326.986 GPRESSURE: 1885200 -87.9476 205.691 -200.956 132.041 211.897 66.8237 -7.98961 -109.333 358.195 PRESSAVG: 1885200 16.8936 1.1618 39.7793 1.16183 -78.2133 15.1195 39.7793 15.1195 -2.87534 GPRESSAVG: 1885200 13.7563 2.11758 38.0079 0.43337 -76.552 13.987 41.9675 15.8149 -1.23133 TIMING: 1885200 CPU: 6033.67, 0.0031779/step Wall: 6033.67, 0.0031779/step, 2.74959 hours remaining, 231.636719 MB of memory in use. ENERGY: 1885200 3995.3246 20548.7621 14470.2566 232.3257 -203246.0362 2632.0088 0.0000 0.0000 52334.1328 -109033.2254 300.7650 -161367.3582 -108672.5169 299.9263 131.3009 160.7145 759796.0680 -21.3984 -21.3423 PRESSURE: 1885400 473.311 -173.355 -216.778 -173.355 242.773 119.121 -216.778 119.12 315.087 GPRESSURE: 1885400 532.696 -173.154 -244.441 -135.641 337.753 184.613 -213.938 70.3209 252.845 PRESSAVG: 1885400 27.3425 -16.6159 -14.4871 -16.6159 41.7376 -10.6758 -14.4871 -10.6758 5.55367 GPRESSAVG: 1885400 30.2168 -18.1416 -12.7881 -15.4444 40.0236 -9.43771 -16.1367 -10.7793 4.71492 TIMING: 1885400 CPU: 6034.3, 0.00317127/step Wall: 6034.3, 0.00317127/step, 2.74368 hours remaining, 231.636719 MB of memory in use. ENERGY: 1885400 3984.9740 20572.4274 14497.1697 235.3842 -203693.0108 2749.8752 0.0000 0.0000 52460.4053 -109192.7751 301.4907 -161653.1804 -108829.0784 300.6940 343.7239 374.4314 758340.5058 24.8779 24.9851 PRESSURE: 1885600 90.3938 295.92 202.593 295.92 146.247 -188.045 202.592 -188.045 186.215 GPRESSURE: 1885600 30.7994 187.252 208.607 268.881 240.24 -230.161 146.419 -176.602 240.972 PRESSAVG: 1885600 6.40119 34.9109 -22.8796 34.9109 -6.08454 21.3635 -22.8795 21.3635 15.2438 GPRESSAVG: 1885600 5.48678 34.9965 -22.2965 34.5555 -5.4478 19.0495 -22.1742 23.1371 15.7594 TIMING: 1885600 CPU: 6034.94, 0.00319234/step Wall: 6034.94, 0.00319234/step, 2.76173 hours remaining, 231.636719 MB of memory in use. ENERGY: 1885600 3949.5240 20730.5511 14351.1631 261.1090 -203025.6825 2328.7929 0.0000 0.0000 52195.9734 -109208.5689 299.9710 -161404.5423 -108843.9827 300.3914 140.9520 170.6704 759551.3829 5.1868 5.2661 PRESSURE: 1885800 -209.045 -199.756 -79.2095 -199.758 -265.498 -279.85 -79.2101 -279.85 134.738 GPRESSURE: 1885800 -189.642 -199.808 -62.3377 -81.6611 -143.707 -246.096 -140.506 -224.131 76.7917 PRESSAVG: 1885800 -5.76155 -42.2814 -3.54236 -42.2815 17.4939 10.4491 -3.54232 10.4491 10.5688 GPRESSAVG: 1885800 -5.17636 -42.2237 -5.60087 -42.8583 16.661 13.1895 -4.06428 9.09127 10.194 TIMING: 1885800 CPU: 6035.58, 0.00320516/step Wall: 6035.58, 0.00320516/step, 2.77264 hours remaining, 231.636719 MB of memory in use. ENERGY: 1885800 3985.4779 20584.6201 14429.8993 241.7312 -202846.9342 2188.5654 0.0000 0.0000 52312.0496 -109104.5907 300.6381 -161416.6403 -108738.0232 300.2249 -113.2681 -85.5188 761272.0833 7.4337 7.2262 PRESSURE: 1886000 -181.99 178.768 70.3012 178.768 563.676 160.806 70.3013 160.806 225.264 GPRESSURE: 1886000 -69.9111 122.18 54.9191 130.826 474.175 217.919 -0.352523 204.712 278.96 PRESSAVG: 1886000 6.27061 15.0804 37.0285 15.0804 24.4534 31.8288 37.0286 31.8287 5.75195 GPRESSAVG: 1886000 6.38123 14.1224 36.4177 13.2953 23.6955 30.6714 38.8965 30.7692 6.59586 TIMING: 1886000 CPU: 6036.22, 0.00319571/step Wall: 6036.22, 0.00319571/step, 2.76429 hours remaining, 231.636719 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: 1886000 3931.3100 20695.3983 14515.0000 251.4578 -202763.0923 2222.0362 0.0000 0.0000 52232.7303 -108915.1597 300.1822 -161147.8900 -108564.7118 300.0096 202.3169 227.7413 761210.2819 12.1587 12.2242 PRESSURE: 1886200 256.28 204.742 7.7899 204.742 31.8642 -202.832 7.78916 -202.833 113.346 GPRESSURE: 1886200 187.982 147.064 -86.1995 235.252 182.062 -261.843 48.68 -274.898 133.875 PRESSAVG: 1886200 -43.9721 39.8539 66.5472 39.8538 26.8911 -0.8694 66.5472 -0.869396 -10.9603 GPRESSAVG: 1886200 -43.9253 39.6434 65.8402 40.1062 27.5322 -0.46898 65.891 -0.197627 -11.7444 TIMING: 1886200 CPU: 6036.86, 0.00321351/step Wall: 6036.86, 0.00321351/step, 2.77951 hours remaining, 231.636719 MB of memory in use. ENERGY: 1886200 3936.7616 20520.9939 14531.3434 234.9126 -203000.1499 2451.6498 0.0000 0.0000 52209.2408 -109115.2478 300.0472 -161324.4886 -108738.1387 300.4325 133.8301 167.9733 761042.0072 -9.3471 -9.3792 PRESSURE: 1886400 180.086 60.5042 193.353 60.5044 78.0824 -244.819 193.352 -244.821 -40.8575 GPRESSURE: 1886400 130.325 94.0741 99.9797 68.5364 154.636 -221.147 243.511 -186.588 42.5538 PRESSAVG: 1886400 60.2711 -10.5287 -28.2405 -10.5286 -65.4615 -19.0326 -28.2404 -19.0327 2.02024 GPRESSAVG: 1886400 59.3183 -9.86788 -27.1307 -8.93108 -64.9666 -19.3817 -27.8285 -20.782 2.49789 TIMING: 1886400 CPU: 6037.5, 0.00320447/step Wall: 6037.5, 0.00320447/step, 2.77151 hours remaining, 231.636719 MB of memory in use. ENERGY: 1886400 4009.3001 20533.1379 14530.0947 237.8789 -202959.5889 2266.5289 0.0000 0.0000 52020.9617 -109361.6867 298.9652 -161382.6484 -108996.4520 300.0878 72.4370 109.1714 758823.4058 -1.0567 -1.0501 PRESSURE: 1886600 92.7838 101.593 -190.814 101.593 350.131 -77.8147 -190.814 -77.8148 39.068 GPRESSURE: 1886600 144.518 24.2503 -146.42 130.019 345.185 -134.353 -223.277 -137.798 56.7039 PRESSAVG: 1886600 43.6448 19.4904 8.97699 19.4904 6.82214 -34.7211 8.97705 -34.7212 9.63113 GPRESSAVG: 1886600 43.098 20.5056 9.78536 19.3011 6.40758 -34.31 6.47142 -33.3294 10.3452 TIMING: 1886600 CPU: 6038.14, 0.00320142/step Wall: 6038.14, 0.00320142/step, 2.76869 hours remaining, 231.636719 MB of memory in use. ENERGY: 1886600 4032.4205 20418.7880 14552.2868 252.7379 -203198.1889 2574.1672 0.0000 0.0000 52282.6813 -109085.1072 300.4693 -161367.7884 -108722.2745 300.0226 160.6608 182.1355 758954.5980 20.0327 19.9502 PRESSURE: 1886800 -197.794 -128.465 74.6178 -128.466 -472.306 -48.2315 74.6171 -48.2315 -83.0831 GPRESSURE: 1886800 -101.814 -101.78 89.7221 -29.2628 -394.539 -87.9199 167.652 -8.13554 -152.54 PRESSAVG: 1886800 16.4965 -6.37531 -49.1761 -6.37526 -43.8832 -23.8931 -49.176 -23.8931 -19.6098 GPRESSAVG: 1886800 17.5151 -7.35447 -49.4955 -6.39707 -42.8986 -25.3718 -46.2785 -22.703 -21.3249 TIMING: 1886800 CPU: 6038.78, 0.00317624/step Wall: 6038.78, 0.00317624/step, 2.74674 hours remaining, 231.636719 MB of memory in use. ENERGY: 1886800 3953.4208 20485.9738 14525.2325 267.2598 -202908.6537 2309.6212 0.0000 0.0000 52228.1099 -109139.0357 300.1557 -161367.1456 -108771.4742 299.7129 -251.0609 -216.2975 760750.9831 -15.6655 -15.5695 PRESSURE: 1887000 297.013 -116.583 -268.73 -116.582 -64.5879 -69.3843 -268.73 -69.3833 200.014 GPRESSURE: 1887000 377.511 -67.8485 -378.039 -46.297 -55.8682 -105.176 -167.567 -82.2547 199.09 PRESSAVG: 1887000 17.7028 -36.464 6.47181 -36.464 -60.633 -10.716 6.47189 -10.7159 -4.26599 GPRESSAVG: 1887000 18.9421 -36.8543 5.28074 -35.3312 -62.2401 -9.70473 5.83944 -12.2869 -4.22835 TIMING: 1887000 CPU: 6039.41, 0.0031678/step Wall: 6039.41, 0.0031678/step, 2.73927 hours remaining, 231.636719 MB of memory in use. ENERGY: 1887000 4074.3396 20417.8669 14438.6267 245.0054 -203286.0895 2491.4955 0.0000 0.0000 52432.9514 -109185.8040 301.3329 -161618.7554 -108835.0045 300.0272 144.1463 173.5777 760061.5833 -15.7321 -15.8421 PRESSURE: 1887200 -182.492 27.7135 -54.1936 27.7142 -330.621 271.195 -54.1935 271.195 -351.801 GPRESSURE: 1887200 -38.0065 64.8605 -61.045 151.297 -396.671 339.254 30.5393 231.491 -353.378 PRESSAVG: 1887200 60.2772 -20.865 8.5278 -20.865 -91.9194 3.65711 8.52772 3.65704 17.1075 GPRESSAVG: 1887200 58.4665 -19.1933 9.09617 -23.5949 -90.9688 3.75319 7.55939 4.74601 17.719 TIMING: 1887200 CPU: 6040.05, 0.00317475/step Wall: 6040.05, 0.00317475/step, 2.7451 hours remaining, 231.636719 MB of memory in use. ENERGY: 1887200 3993.2976 20374.1125 14529.0167 241.1002 -202933.3065 2369.5781 0.0000 0.0000 52245.6284 -109180.5730 300.2563 -161426.2013 -108812.9638 299.9522 -288.3048 -262.6854 761835.2793 -4.8449 -4.9278 PRESSURE: 1887400 -14.8716 190.516 180.015 190.515 -18.6523 -188.552 180.015 -188.552 539.483 GPRESSURE: 1887400 82.3734 185.264 14.2147 215.867 32.9201 -154.603 218.359 -282.709 490.994 PRESSAVG: 1887400 31.5487 33.7294 -8.96361 33.7293 1.44721 -4.50508 -8.9636 -4.505 -7.89358 GPRESSAVG: 1887400 32.1381 32.8209 -9.62567 34.5356 1.03827 -3.93812 -8.76984 -6.35012 -7.9535 TIMING: 1887400 CPU: 6040.68, 0.00319146/step Wall: 6040.68, 0.00319146/step, 2.75937 hours remaining, 231.636719 MB of memory in use. ENERGY: 1887400 3957.2519 20355.3361 14532.0879 270.8167 -203327.8806 2759.8694 0.0000 0.0000 52193.9351 -109258.5835 299.9593 -161452.5186 -108898.6404 299.4096 168.6531 202.0959 760797.6002 8.3674 8.4076 PRESSURE: 1887600 -393.645 -10.2961 -112.826 -10.2967 283.257 -293.892 -112.825 -293.893 -53.2325 GPRESSURE: 1887600 -262.248 -45.1584 -159.216 32.8282 269.444 -201.55 -126.357 -254.941 -86.97 PRESSAVG: 1887600 2.58696 -50.1385 -28.458 -50.1385 6.46098 -24.0125 -28.458 -24.0125 7.25162 GPRESSAVG: 1887600 2.10438 -51.0356 -27.3435 -48.2191 6.93006 -23.5382 -28.1675 -26.3084 6.77051 TIMING: 1887600 CPU: 6041.32, 0.00317772/step Wall: 6041.32, 0.00317772/step, 2.74731 hours remaining, 231.636719 MB of memory in use. ENERGY: 1887600 3958.3121 20507.5285 14432.0807 263.9093 -203070.9205 2405.4495 0.0000 0.0000 52261.8932 -109241.7471 300.3498 -161503.6403 -108882.1336 299.9144 -54.5403 -26.5913 760563.8411 5.4332 5.2683 PRESSURE: 1887800 -10.4199 158.946 97.005 158.945 -287.752 -125.596 97.0049 -125.595 48.7912 GPRESSURE: 1887800 -77.9159 131.257 93.607 60.9586 -150.834 -145.012 17.4996 -16.7347 68.7944 PRESSAVG: 1887800 -11.2385 -4.52482 24.8038 -4.52488 30.5541 28.7811 24.8039 28.7811 11.6206 GPRESSAVG: 1887800 -10.2773 -3.23181 24.2154 -8.90666 28.9974 29.6649 24.3086 30.2245 12.3991 TIMING: 1887800 CPU: 6041.96, 0.00321399/step Wall: 6041.96, 0.00321399/step, 2.77849 hours remaining, 231.636719 MB of memory in use. ENERGY: 1887800 3985.2253 20651.7840 14483.7390 280.5785 -203520.0314 2374.0966 0.0000 0.0000 52328.4192 -109416.1887 300.7321 -161744.6079 -109066.7441 299.5667 -83.1268 -53.3184 761018.6721 10.3121 10.3731 PRESSURE: 1888000 -18.2877 -91.1579 0.743676 -91.1572 -8.89954 -187.708 0.743993 -187.707 -75.9188 GPRESSURE: 1888000 -16.7531 -66.6435 0.269614 -40.1558 58.8097 -200.714 -35.6587 -209.265 -62.6946 PRESSAVG: 1888000 15.3688 -7.32124 -5.22097 -7.32119 -9.20533 -11.4068 -5.22096 -11.4067 23.6215 GPRESSAVG: 1888000 14.3401 -7.77322 -6.04958 -4.87044 -8.98187 -13.3173 -2.7705 -12.3166 24.1598 TIMING: 1888000 CPU: 6042.6, 0.00318027/step Wall: 6042.6, 0.00318027/step, 2.74916 hours remaining, 231.636719 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: 1888000 3939.8586 20522.7305 14379.5603 232.2428 -203104.3013 2348.3881 0.0000 0.0000 52195.9590 -109485.5619 299.9709 -161681.5209 -109123.8640 299.5122 -34.3687 -6.8793 760467.2821 9.9283 9.8393 PRESSURE: 1888200 54.8591 -212.562 163.491 -212.562 52.5398 5.38418 163.491 5.38423 538.909 GPRESSURE: 1888200 230.723 -124.338 239.308 -179.581 -57.4673 17.4659 54.3354 -10.4066 545.237 PRESSAVG: 1888200 50.4459 8.17974 27.6179 8.17963 -20.4785 -63.8293 27.6179 -63.8293 -9.45293 GPRESSAVG: 1888200 51.0247 9.01892 29.9869 7.44805 -20.1697 -62.6375 23.8314 -61.5075 -9.52207 TIMING: 1888200 CPU: 6043.23, 0.00316489/step Wall: 6043.23, 0.0031649/step, 2.7357 hours remaining, 231.636719 MB of memory in use. ENERGY: 1888200 3936.6917 20569.9577 14465.0658 260.2149 -203306.1482 2697.8836 0.0000 0.0000 52020.3354 -109355.9990 298.9616 -161376.3345 -108991.7109 299.2750 215.4358 239.4975 760008.0878 6.8382 7.1110 LDB: ============= START OF LOAD BALANCING ============== 6055.66 LDB: ============== END OF LOAD BALANCING =============== 6055.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6055.66 LDB: ============= START OF LOAD BALANCING ============== 6055.98 LDB: Largest compute 7033 load 0.034248 is 17.5% of average load 0.195460 LDB: Average compute 0.004397 is 2.2% of average load 0.195460 LDB: TIME 6055.98 LOAD: AVG 0.19546 MAX 0.216213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.801 MB LDB: TIME 6055.98 LOAD: AVG 0.19546 MAX 0.216213 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: TIME 6055.98 LOAD: AVG 0.19546 MAX 0.216213 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.895 MB LDB: ============== END OF LOAD BALANCING =============== 6055.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6055.99 PRESSURE: 1888400 117.967 90.3884 -186.232 90.3892 28.7964 218.47 -186.232 218.471 -216.779 GPRESSURE: 1888400 152.451 74.3736 -155.878 37.7562 37.1968 240.924 -173.856 103.97 -153.988 PRESSAVG: 1888400 14.3084 -14.172 22.7849 -14.172 -59.5919 -25.3647 22.7849 -25.3647 -24.8444 GPRESSAVG: 1888400 14.4923 -14.3629 23.3057 -12.8448 -59.1381 -26.5619 22.5261 -26.7334 -25.0836 TIMING: 1888400 CPU: 6043.88, 0.00325714/step Wall: 6043.88, 0.00325713/step, 2.81525 hours remaining, 233.113281 MB of memory in use. ENERGY: 1888400 4039.8650 20460.8786 14437.1124 257.1296 -203006.0047 2406.6832 0.0000 0.0000 52222.3929 -109181.9430 300.1228 -161404.3359 -108818.9376 299.6014 -23.3385 11.8865 761268.7243 -23.3760 -23.2432 PRESSURE: 1888600 -0.008126 27.3389 43.0377 27.3396 -42.8076 24.5584 43.0368 24.5572 -433.31 GPRESSURE: 1888600 -8.65195 -23.8533 130.835 84.9246 -18.7659 -14.6386 66.7242 -40.9314 -354.975 PRESSAVG: 1888600 66.6543 -30.46 0.772366 -30.46 -27.1606 -49.2082 0.77241 -49.2082 0.121386 GPRESSAVG: 1888600 67.0277 -29.7749 0.699023 -32.24 -27.0941 -50.0169 3.05375 -47.5927 -0.46852 TIMING: 1888600 CPU: 6044.53, 0.00322094/step Wall: 6044.53, 0.00322094/step, 2.78379 hours remaining, 233.257812 MB of memory in use. ENERGY: 1888600 3994.8163 20499.4090 14541.7868 241.1869 -203071.2903 2499.7560 0.0000 0.0000 52149.7477 -109144.5876 299.7053 -161294.3353 -108786.3603 299.4157 -158.7085 -127.4643 762729.7000 13.2050 13.1550 PRESSURE: 1888800 -16.1685 -127.003 342.567 -127.002 -205.051 -20.7286 342.567 -20.7285 71.657 GPRESSURE: 1888800 43.4154 -77.7226 333.174 -61.8454 -187.45 -27.0085 411.348 -51.8852 83.9825 PRESSAVG: 1888800 37.8583 6.15429 32.5989 6.15425 -100.761 9.59172 32.5988 9.59174 -2.04581 GPRESSAVG: 1888800 37.4315 4.75501 31.57 7.81171 -102.019 11.6106 33.5722 7.68374 -0.975428 TIMING: 1888800 CPU: 6045.16, 0.00317052/step Wall: 6045.16, 0.00317052/step, 2.74003 hours remaining, 233.257812 MB of memory in use. ENERGY: 1888800 3909.4072 20701.5630 14550.4847 236.6333 -203002.0096 2295.3655 0.0000 0.0000 52114.0758 -109194.4801 299.5003 -161308.5559 -108836.5338 299.8141 -49.8541 -20.0174 763699.8337 -21.6495 -21.8544 PRESSURE: 1889000 41.5292 91.0154 30.9233 91.0145 259.454 -75.1405 30.9237 -75.1415 226.878 GPRESSURE: 1889000 97.1878 63.5312 -29.3135 170.516 261.622 23.7459 93.3445 -169.966 246.78 PRESSAVG: 1889000 66.1658 -28.687 3.07787 -28.687 -73.8106 15.5429 3.07786 15.5429 -16.6408 GPRESSAVG: 1889000 64.4227 -27.5683 1.44324 -30.0863 -72.5039 15.8039 3.84298 15.888 -16.3233 TIMING: 1889000 CPU: 6045.8, 0.00318201/step Wall: 6045.8, 0.00318201/step, 2.74978 hours remaining, 233.257812 MB of memory in use. ENERGY: 1889000 3968.6461 20619.7308 14524.0554 247.8777 -203264.5763 2381.5594 0.0000 0.0000 52292.9872 -109229.7196 300.5285 -161522.7068 -108867.0006 299.5679 175.9539 201.8634 759766.3289 -8.0952 -8.1348 PRESSURE: 1889200 6.18031 -41.1998 8.03102 -41.1988 -529.328 -37.109 8.03031 -37.1092 -240.25 GPRESSURE: 1889200 4.61925 -42.7173 66.6107 66.4116 -421.519 -61.4812 -46.2404 -2.47706 -240.63 PRESSAVG: 1889200 46.8411 -53.4632 -1.87402 -53.4632 -45.7677 -32.7095 -1.874 -32.7095 -16.413 GPRESSAVG: 1889200 48.115 -54.8882 -2.03053 -51.1311 -46.3215 -33.0021 -4.69003 -33.2365 -17.0379 TIMING: 1889200 CPU: 6046.44, 0.00318983/step Wall: 6046.44, 0.00318983/step, 2.75637 hours remaining, 233.257812 MB of memory in use. ENERGY: 1889200 3905.4551 20454.7865 14506.2024 262.7283 -202827.4614 2405.2077 0.0000 0.0000 51979.1710 -109313.9106 298.7250 -161293.0815 -108953.2692 299.2149 -254.4661 -219.1765 761426.1389 -5.1132 -5.0815 PRESSURE: 1889400 -276.332 153.455 115.47 153.456 -10.8715 -6.6874 115.469 -6.68721 36.4608 GPRESSURE: 1889400 -209.109 41.3157 122.423 70.4015 -14.6871 31.6352 211.597 -48.6639 54.7799 PRESSAVG: 1889400 44.8478 -43.3036 -7.35584 -43.3036 -9.3329 -34.8159 -7.35579 -34.8159 22.0802 GPRESSAVG: 1889400 44.9215 -42.8535 -6.13974 -44.1365 -9.00772 -35.7706 -3.30299 -33.3178 21.4488 TIMING: 1889400 CPU: 6047.07, 0.00319211/step Wall: 6047.07, 0.00319211/step, 2.75816 hours remaining, 233.257812 MB of memory in use. ENERGY: 1889400 3923.0319 20404.9079 14586.6334 255.5956 -203030.0581 2275.2915 0.0000 0.0000 52342.4392 -109242.1584 300.8127 -161584.5976 -108875.3126 299.6179 -83.5811 -56.3387 759962.7182 19.1984 19.1209 PRESSURE: 1889600 436.727 20.9079 -65.5254 20.9074 6.54094 -38.2884 -65.5249 -38.2889 -50.235 GPRESSURE: 1889600 403.538 77.1368 -2.60389 -4.70215 115.294 82.5269 -130.55 -107.238 -39.9407 PRESSAVG: 1889600 64.6226 -47.0103 43.782 -47.0104 -22.8464 13.2664 43.782 13.2664 -12.4777 GPRESSAVG: 1889600 65.3972 -46.2206 44.4218 -47.6326 -23.4342 15.6559 40.4402 10.1092 -12.5821 TIMING: 1889600 CPU: 6047.72, 0.00322794/step Wall: 6047.72, 0.00322794/step, 2.78894 hours remaining, 233.257812 MB of memory in use. ENERGY: 1889600 3997.4593 20452.4429 14529.5443 260.9675 -202671.7745 2166.8503 0.0000 0.0000 51975.6910 -109288.8193 298.7050 -161264.5103 -108933.6242 299.7789 131.0108 159.6304 762298.3083 9.7662 9.7936 PRESSURE: 1889800 -368.045 51.3403 227.339 51.3401 -152.174 -85.0782 227.337 -85.078 13.9758 GPRESSURE: 1889800 -406.357 -11.196 192.495 37.3854 -9.64776 -63.7293 289.774 -126.669 -15.8525 PRESSAVG: 1889800 -2.08391 37.6611 -32.1357 37.6611 5.93958 -7.96622 -32.1357 -7.96623 0.0905141 GPRESSAVG: 1889800 -4.28936 37.5597 -34.2141 38.6258 6.31143 -8.84943 -32.3687 -7.64943 0.763217 TIMING: 1889800 CPU: 6048.35, 0.00317428/step Wall: 6048.35, 0.00317428/step, 2.7424 hours remaining, 233.257812 MB of memory in use. ENERGY: 1889800 4074.4008 20388.1958 14615.2543 238.3684 -202920.6453 2375.2523 0.0000 0.0000 52037.8194 -109191.3543 299.0621 -161229.1737 -108846.7516 299.0956 -168.7480 -143.9525 762016.8626 1.3154 0.9284 PRESSURE: 1890000 137.897 27.2189 125.462 27.2181 136.325 64.8117 125.462 64.8125 270.849 GPRESSURE: 1890000 218.265 55.8372 108.724 43.6974 103.638 -1.84413 93.908 57.9708 298.966 PRESSAVG: 1890000 -8.01652 17.9451 -8.85947 17.9451 33.7759 -23.8351 -8.85943 -23.8351 -6.41899 GPRESSAVG: 1890000 -8.23743 19.2184 -8.53727 16.4182 33.7636 -24.7629 -8.49816 -21.9073 -6.25284 TIMING: 1890000 CPU: 6048.99, 0.00316259/step Wall: 6048.99, 0.00316259/step, 2.73213 hours remaining, 233.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 3947.7296 20451.2609 14545.8804 235.0203 -203004.0523 2421.8756 0.0000 0.0000 52263.7947 -109138.4909 300.3607 -161402.2855 -108777.2575 299.5530 181.6901 206.9564 760297.9323 6.4468 6.4245 PRESSURE: 1890200 201.726 79.8664 -295.715 79.8668 -24.0063 55.1109 -295.715 55.1111 -86.6115 GPRESSURE: 1890200 272.811 155.087 -342.173 88.8831 -18.8024 40.3004 -138 34.4105 -58.5037 PRESSAVG: 1890200 -34.7691 22.5574 -9.59545 22.5574 11.7121 -33.5334 -9.59553 -33.5334 16.3536 GPRESSAVG: 1890200 -33.067 20.3845 -8.48868 24.7827 10.7034 -33.6356 -8.93255 -32.5465 15.5114 TIMING: 1890200 CPU: 6049.62, 0.00316444/step Wall: 6049.62, 0.00316444/step, 2.73355 hours remaining, 233.257812 MB of memory in use. ENERGY: 1890200 3987.7611 20605.2449 14539.9212 243.6585 -202870.1827 2501.4451 0.0000 0.0000 51984.5455 -109007.6065 298.7559 -160992.1520 -108655.5361 300.1896 30.3694 65.1684 761729.5179 -2.2345 -2.2840 PRESSURE: 1890400 256.624 63.7252 157.179 63.7246 57.0598 172.932 157.179 172.931 159.839 GPRESSURE: 1890400 312.329 81.4263 94.2736 134.013 108.82 151.111 77.8144 25.9392 124.907 PRESSAVG: 1890400 -27.0826 40.4802 0.27103 40.4801 -11.3826 -14.2101 0.271049 -14.2101 -14.5069 GPRESSAVG: 1890400 -28.2311 42.7483 -0.592842 39.245 -10.0062 -14.3458 -0.923862 -15.2838 -15.3866 TIMING: 1890400 CPU: 6050.25, 0.00315065/step Wall: 6050.25, 0.00315065/step, 2.72146 hours remaining, 233.257812 MB of memory in use. ENERGY: 1890400 3968.0456 20572.3481 14522.8554 242.9846 -203321.5312 2603.6928 0.0000 0.0000 52415.1009 -108996.5039 301.2303 -161411.6048 -108632.6820 300.6953 157.8410 182.0187 760171.7063 -17.6574 -17.8746 PRESSURE: 1890600 47.4923 76.5185 -94.9368 76.5191 -208.053 -191.164 -94.9375 -191.165 99.7877 GPRESSURE: 1890600 124.107 9.70504 -205.643 -17.4594 -114.237 -170.235 38.845 -189.886 14.3376 PRESSAVG: 1890600 17.5269 46.049 -30.4811 46.049 -30.7638 21.557 -30.4811 21.557 24.4987 GPRESSAVG: 1890600 18.2634 44.474 -30.3672 46.1129 -32.0547 23.0119 -30.5619 22.6962 25.7572 TIMING: 1890600 CPU: 6050.88, 0.00317094/step Wall: 6050.88, 0.00317094/step, 2.73881 hours remaining, 233.257812 MB of memory in use. ENERGY: 1890600 3975.6334 20631.7859 14522.3030 249.6955 -202739.0479 2261.0204 0.0000 0.0000 52033.8677 -109064.7419 299.0394 -161098.6097 -108703.6734 300.7593 -20.2578 8.0692 762054.1916 3.7539 3.9886 PRESSURE: 1890800 -21.2369 -137.545 -259.705 -137.546 -22.5257 103.771 -259.705 103.77 225.268 GPRESSURE: 1890800 -23.2076 -116.615 -262.727 -13.3101 84.2436 167.687 -191.361 31.1308 210.367 PRESSAVG: 1890800 45.8583 28.2184 0.610208 28.2184 0.762458 28.251 0.610295 28.2511 -17.4073 GPRESSAVG: 1890800 45.7464 30.0269 0.348465 28.4079 1.07638 27.5793 1.73461 28.4235 -17.4454 TIMING: 1890800 CPU: 6051.52, 0.00315696/step Wall: 6051.52, 0.00315696/step, 2.72656 hours remaining, 233.257812 MB of memory in use. ENERGY: 1890800 4002.4946 20445.6732 14523.0732 267.3470 -202895.5997 2297.3034 0.0000 0.0000 52128.4248 -109231.2834 299.5828 -161359.7082 -108860.5224 300.2584 60.5018 90.4678 761206.7913 9.7378 9.7924 PRESSURE: 1891000 -319.066 30.7208 -35.9549 30.7208 -233.35 6.33285 -35.9554 6.33392 124.37 GPRESSURE: 1891000 -257.587 -77.665 25.475 -0.111317 -180.786 64.6437 -63.5335 -21.3154 109.375 PRESSAVG: 1891000 83.115 1.09319 -47.1868 1.09319 -65.3268 34.9478 -47.1868 34.9477 1.81443 GPRESSAVG: 1891000 82.4248 -0.460505 -47.965 1.36541 -65.5509 34.5967 -47.5285 32.6224 2.37002 TIMING: 1891000 CPU: 6052.15, 0.00318452/step Wall: 6052.15, 0.00318452/step, 2.75019 hours remaining, 233.257812 MB of memory in use. ENERGY: 1891000 4022.6852 20370.0252 14477.5039 262.3976 -202932.2841 2367.6584 0.0000 0.0000 52351.1754 -109080.8384 300.8629 -161432.0138 -108715.2049 300.2219 -142.6820 -109.6658 760232.3718 6.5342 6.4146 PRESSURE: 1891200 99.7047 6.93138 130.805 6.93156 105.386 -205.054 130.806 -205.054 -32.8292 GPRESSURE: 1891200 180.58 60.6927 1.70457 22.7337 99.7792 -271.09 183.041 -81.4482 -34.4649 PRESSAVG: 1891200 20.7306 16.2459 -10.5384 16.2459 -35.5521 2.78619 -10.5384 2.78616 17.4896 GPRESSAVG: 1891200 20.9932 14.9802 -10.5312 17.2479 -34.8694 2.96734 -10.2277 3.96785 16.1217 TIMING: 1891200 CPU: 6052.79, 0.00319561/step Wall: 6052.79, 0.00319561/step, 2.75958 hours remaining, 233.257812 MB of memory in use. ENERGY: 1891200 3967.5825 20527.7974 14551.7062 278.1957 -202853.6285 2185.8266 0.0000 0.0000 52056.9694 -109285.5506 299.1721 -161342.5201 -108923.8331 300.1996 57.4207 81.9648 761414.7142 0.8894 0.7485 PRESSURE: 1891400 206.116 34.7364 -9.92829 34.7361 71.0201 94.2638 -9.92784 94.2639 -124.149 GPRESSURE: 1891400 201.073 118.826 69.492 37.9053 143.621 36.2849 29.5578 111.849 -104.355 PRESSAVG: 1891400 25.1495 23.6452 16.2235 23.6452 -21.7981 56.8662 16.2235 56.8663 12.1219 GPRESSAVG: 1891400 23.7027 24.4812 15.6965 21.9561 -20.6242 58.144 18.5672 54.5362 12.0088 TIMING: 1891400 CPU: 6053.43, 0.003198/step Wall: 6053.43, 0.003198/step, 2.76147 hours remaining, 233.257812 MB of memory in use. ENERGY: 1891400 3902.9694 20540.8186 14433.1842 232.8582 -203067.0481 2450.7858 0.0000 0.0000 52208.6816 -109297.7502 300.0440 -161506.4318 -108928.5219 299.5949 50.9959 80.1130 759992.4610 5.1577 5.0291 PRESSURE: 1891600 -123.857 -71.178 137.92 -71.1767 79.4414 -75.2504 137.92 -75.2504 424.667 GPRESSURE: 1891600 -65.0973 -90.9024 149.677 -123.491 177.629 -145.328 232.082 30.4572 371.162 PRESSAVG: 1891600 14.9639 -16.7875 -22.8242 -16.7874 -22.0584 28.1694 -22.8242 28.1694 -21.4462 GPRESSAVG: 1891600 16.5398 -15.396 -20.7609 -16.9055 -24.4391 26.0137 -25.6827 32.2347 -20.861 TIMING: 1891600 CPU: 6054.07, 0.00320166/step Wall: 6054.07, 0.00320166/step, 2.76446 hours remaining, 233.257812 MB of memory in use. ENERGY: 1891600 3969.9191 20514.1924 14479.1959 215.7693 -202775.4814 2356.0345 0.0000 0.0000 51957.3073 -109283.0629 298.5994 -161240.3702 -108913.3463 299.4532 126.7503 161.2314 761667.8172 -9.5136 -9.5868 PRESSURE: 1891800 122.611 131.179 142.093 131.178 -98.1234 -153.098 142.094 -153.098 389.46 GPRESSURE: 1891800 177.939 63.8173 76.4743 50.1383 6.88718 -36.4634 114.06 -102.686 329.432 PRESSAVG: 1891800 86.1054 54.7684 17.5652 54.7683 -43.4824 38.0976 17.5652 38.0976 8.92168 GPRESSAVG: 1891800 86.365 53.3596 16.7008 55.5146 -42.9953 39.7515 18.8328 35.3836 8.77717 TIMING: 1891800 CPU: 6054.7, 0.00316054/step Wall: 6054.7, 0.00316054/step, 2.72877 hours remaining, 233.257812 MB of memory in use. ENERGY: 1891800 3924.0994 20505.9586 14510.1571 248.9714 -203344.7560 2638.8024 0.0000 0.0000 52340.1426 -109176.6245 300.7995 -161516.7670 -108808.5524 299.9172 137.9825 171.4194 760677.4345 17.1816 17.3823 PRESSURE: 1892000 128.06 -88.4784 51.9683 -88.4776 173.099 84.8709 51.9678 84.8705 -152.597 GPRESSURE: 1892000 206.98 -150.45 -18.8217 -10.6612 217.021 57.8609 32.1817 125.819 -186.784 PRESSAVG: 1892000 -46.2524 7.73822 80.4606 7.73827 -12.2095 45.243 80.4606 45.2431 -11.5701 GPRESSAVG: 1892000 -46.8636 9.38676 80.6244 7.60863 -11.6849 44.2183 79.9813 46.6058 -11.9266 TIMING: 1892000 CPU: 6055.34, 0.00316909/step Wall: 6055.34, 0.00316909/step, 2.73598 hours remaining, 233.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 4031.9742 20531.8825 14559.4861 227.7028 -203426.1153 2649.3252 0.0000 0.0000 52246.8426 -109178.9018 300.2633 -161425.7444 -108815.2551 299.3452 49.5204 79.0723 761936.5101 -23.3440 -23.4917 PRESSURE: 1892200 177.744 -42.4379 47.4986 -42.4376 -302.651 220.907 47.4978 220.907 311.925 GPRESSURE: 1892200 125.975 100.047 90.2206 193.255 -160.498 257.613 -12.1892 243.605 313.104 PRESSAVG: 1892200 -14.1572 40.4603 -8.14215 40.4603 2.53768 31.6162 -8.14213 31.6162 17.5908 GPRESSAVG: 1892200 -14.0834 40.4683 -6.71848 41.9081 1.8082 31.75 -9.6118 30.5099 18.2018 TIMING: 1892200 CPU: 6055.98, 0.00319085/step Wall: 6055.98, 0.00319085/step, 2.75459 hours remaining, 233.257812 MB of memory in use. ENERGY: 1892200 4070.9757 20518.6327 14528.0470 241.0917 -203288.0409 2620.0277 0.0000 0.0000 52033.6056 -109275.6606 299.0378 -161309.2662 -108909.6584 300.2050 62.3396 92.8604 760689.7752 1.9904 1.9755 LDB: ============= START OF LOAD BALANCING ============== 6068.4 LDB: ============== END OF LOAD BALANCING =============== 6068.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6068.4 LDB: ============= START OF LOAD BALANCING ============== 6068.72 LDB: Largest compute 7033 load 0.037759 is 19.3% of average load 0.195502 LDB: Average compute 0.004397 is 2.2% of average load 0.195502 LDB: TIME 6068.72 LOAD: AVG 0.195502 MAX 0.216186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.98 MB LDB: TIME 6068.72 LOAD: AVG 0.195502 MAX 0.216186 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.184 MB LDB: TIME 6068.72 LOAD: AVG 0.195502 MAX 0.216186 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.184 MB LDB: ============== END OF LOAD BALANCING =============== 6068.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6068.73 PRESSURE: 1892400 -203.483 -141.278 -306.034 -141.278 -17.9506 -14.1938 -306.034 -14.1938 -146.635 GPRESSURE: 1892400 -211.808 -77.176 -259.455 -265.337 50.6296 115.592 -240.392 -48.4056 -129.43 PRESSAVG: 1892400 -2.51691 -45.2769 -49.7049 -45.2769 -6.06371 -2.92404 -49.7048 -2.92411 -3.80118 GPRESSAVG: 1892400 -2.21558 -45.9127 -50.5439 -47.4356 -6.81716 -2.83726 -47.7088 -2.68711 -3.74692 TIMING: 1892400 CPU: 6056.62, 0.00324278/step Wall: 6056.62, 0.00324278/step, 2.79924 hours remaining, 232.910156 MB of memory in use. ENERGY: 1892400 4024.4375 20403.0235 14523.7379 235.1839 -203037.6832 2297.4019 0.0000 0.0000 52396.9143 -109156.9844 301.1258 -161553.8986 -108792.5008 300.3330 -122.6897 -96.8695 762166.0511 -4.1273 -4.2599 PRESSURE: 1892600 320.484 1.29475 171.426 1.29515 -115.204 64.4381 171.426 64.4375 115.758 GPRESSURE: 1892600 398.906 -123.935 203.466 21.8178 -86.6047 52.7061 33.9756 -103.624 106.05 PRESSAVG: 1892600 57.3104 -18.5525 -8.29893 -18.5525 -28.3332 27.9949 -8.2989 27.9949 4.57807 GPRESSAVG: 1892600 56.2108 -21.3166 -9.83762 -17.1614 -27.4458 29.3024 -7.29986 26.7887 4.43712 TIMING: 1892600 CPU: 6057.26, 0.00318105/step Wall: 6057.26, 0.00318105/step, 2.74577 hours remaining, 233.113281 MB of memory in use. ENERGY: 1892600 4089.0743 20573.3416 14524.5804 265.1095 -203100.6612 2389.7261 0.0000 0.0000 51949.8504 -109308.9789 298.5565 -161258.8293 -108957.9935 300.0111 107.0127 139.4503 760445.6362 11.1851 11.0674 PRESSURE: 1892800 134.877 -47.3788 48.0418 -47.378 89.5319 105.176 48.0424 105.174 -125.792 GPRESSURE: 1892800 181.307 -13.1294 99.9591 -83.4956 81.7726 106.842 -26.2682 -23.0738 -70.6639 PRESSAVG: 1892800 23.2616 -12.8279 10.441 -12.8278 -16.2453 -2.61674 10.441 -2.61674 -19.0187 GPRESSAVG: 1892800 23.252 -9.94753 10.6775 -14.7047 -17.3279 -3.42942 7.36922 -2.8467 -18.1006 TIMING: 1892800 CPU: 6057.89, 0.0031628/step Wall: 6057.89, 0.0031628/step, 2.72985 hours remaining, 233.113281 MB of memory in use. ENERGY: 1892800 3961.9023 20404.7134 14467.9774 239.9594 -203225.1158 2451.3538 0.0000 0.0000 52282.7250 -109416.4844 300.4695 -161699.2095 -109038.5571 299.3622 32.8724 64.1385 759150.4868 -4.0008 -4.0588 PRESSURE: 1893000 -101.901 47.6008 -23.7825 47.6005 -272.125 -180.111 -23.7817 -180.111 218.417 GPRESSURE: 1893000 -76.6488 4.19027 36.8659 39.6861 -192.908 -38.9826 -98.1144 -247.305 221.634 PRESSAVG: 1893000 21.2098 -43.1249 -9.013 -43.1248 -9.78453 11.9572 -9.01302 11.9571 6.3756 GPRESSAVG: 1893000 22.2449 -45.7979 -6.7715 -41.0752 -9.5517 11.1958 -6.28672 14.1415 4.95103 TIMING: 1893000 CPU: 6058.53, 0.0031894/step Wall: 6058.53, 0.0031894/step, 2.75263 hours remaining, 233.113281 MB of memory in use. ENERGY: 1893000 3957.3571 20544.7979 14479.8114 245.8307 -203271.6473 2560.2871 0.0000 0.0000 51880.5870 -109602.9760 298.1584 -161483.5630 -109243.6517 299.0614 -51.8696 -15.9742 760226.0345 5.9336 5.8814 PRESSURE: 1893200 -265.4 -37.7274 -165.526 -37.7289 -149.867 251.993 -165.526 251.992 -63.2083 GPRESSURE: 1893200 -310.473 -58.0409 -120.393 -33.1408 -50.9044 269.213 -129.822 260.053 -40.7691 PRESSAVG: 1893200 -39.6593 -45.5525 -38.9743 -45.5525 40.0526 46.6001 -38.9742 46.6002 13.691 GPRESSAVG: 1893200 -41.1526 -44.0984 -40.0866 -47.52 41.5578 45.9788 -42.3733 47.1798 14.0141 TIMING: 1893200 CPU: 6059.17, 0.00317831/step Wall: 6059.17, 0.00317831/step, 2.74288 hours remaining, 233.113281 MB of memory in use. ENERGY: 1893200 4021.6580 20548.8452 14454.3152 243.5128 -203225.2461 2371.2439 0.0000 0.0000 51745.0084 -109840.6626 297.3793 -161585.6711 -109484.7494 298.7012 -159.4917 -134.0488 760451.4092 4.6948 4.8064 PRESSURE: 1893400 183.841 -27.452 -60.2557 -27.4527 -155.653 177.85 -60.2552 177.851 -30.6322 GPRESSURE: 1893400 245.6 -58.5491 -99.2067 -54.9221 -92.7365 191.578 93.6564 88.7533 -61.9642 PRESSAVG: 1893400 -11.6386 -33.4651 4.12157 -33.4652 15.9168 -3.3431 4.12153 -3.34307 17.0723 GPRESSAVG: 1893400 -10.4661 -33.5424 3.72613 -33.2349 14.7238 -4.32808 8.34228 -4.59791 16.8605 TIMING: 1893400 CPU: 6059.8, 0.0031554/step Wall: 6059.8, 0.0031554/step, 2.72294 hours remaining, 233.113281 MB of memory in use. ENERGY: 1893400 3993.5466 20480.4579 14494.9489 228.8968 -203471.1907 2594.4860 0.0000 0.0000 52035.0607 -109643.7938 299.0462 -161678.8545 -109285.9999 298.6902 -0.8149 30.2997 759782.9201 7.1168 7.0394 PRESSURE: 1893600 -216.122 29.9182 -36.3216 29.9191 -74.8596 -197.688 -36.3206 -197.687 248.285 GPRESSURE: 1893600 -222.009 92.2489 -40.17 57.0052 -4.47771 -177.655 -144.216 -65.8976 268.273 PRESSAVG: 1893600 4.11685 -94.0373 11.6032 -94.0373 9.09972 -43.2478 11.6032 -43.2478 20.7095 GPRESSAVG: 1893600 2.38578 -92.4052 11.6569 -95.0131 10.5448 -41.0586 10.1671 -41.7318 20.9989 TIMING: 1893600 CPU: 6060.43, 0.00318713/step Wall: 6060.43, 0.00318713/step, 2.75014 hours remaining, 233.113281 MB of memory in use. ENERGY: 1893600 4034.8545 20477.6234 14450.7255 235.7708 -203409.7851 2482.5702 0.0000 0.0000 51994.0885 -109734.1523 298.8107 -161728.2408 -109371.1569 298.8511 -14.2319 13.9288 761578.4217 11.3087 11.3098 PRESSURE: 1893800 172.071 -186.094 113.792 -186.094 -19.0383 110.948 113.792 110.948 90.0969 GPRESSURE: 1893800 239.694 -266.46 145.862 -191.078 -30.6003 14.3655 34.1464 32.5007 132.749 PRESSAVG: 1893800 4.55535 -79.4952 1.0307 -79.4952 -16.9096 -4.4715 1.0307 -4.4715 -16.3239 GPRESSAVG: 1893800 6.59361 -80.5003 1.11063 -77.4086 -18.2217 -5.75375 -1.52309 -7.33237 -17.4018 TIMING: 1893800 CPU: 6061.07, 0.0031942/step Wall: 6061.07, 0.0031942/step, 2.75606 hours remaining, 233.113281 MB of memory in use. ENERGY: 1893800 3967.5867 20451.3631 14462.7177 253.2875 -202995.6437 2180.6568 0.0000 0.0000 51918.6852 -109761.3467 298.3774 -161680.0319 -109387.5691 299.0066 81.0433 113.9476 760348.9536 -9.5594 -9.6766 PRESSURE: 1894000 -515.157 -22.2208 -33.1664 -22.2226 -97.128 25.4425 -33.166 25.4428 -511.982 GPRESSURE: 1894000 -467.095 2.79428 57.1974 31.1209 -155.137 37.5372 -167.995 139.769 -392.135 PRESSAVG: 1894000 -53.4663 -42.577 -27.8322 -42.577 52.1048 83.3676 -27.8322 83.3677 28.374 GPRESSAVG: 1894000 -54.1392 -44.3003 -28.2446 -43.3612 52.3948 84.3648 -27.2268 84.7823 29.2985 TIMING: 1894000 CPU: 6061.71, 0.00316722/step Wall: 6061.71, 0.00316722/step, 2.73261 hours remaining, 233.113281 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: 1894000 4038.3629 20515.8246 14493.1963 249.9788 -203152.2752 2126.6065 0.0000 0.0000 52147.6931 -109580.6131 299.6935 -161728.3062 -109215.4959 299.0266 -374.7556 -338.1226 759306.5537 9.0042 9.1847 PRESSURE: 1894200 -176.65 -172.357 27.8101 -172.357 -172.33 -33.8026 27.811 -33.8029 248.038 GPRESSURE: 1894200 -151.848 -119.751 144.128 -68.5063 -104.312 -30.7971 36.3998 -162.046 241.957 PRESSAVG: 1894200 -4.60358 -51.554 21.8241 -51.554 -36.1026 -0.251031 21.8241 -0.251063 -19.1924 GPRESSAVG: 1894200 -4.9811 -50.7093 21.8411 -52.4882 -35.9584 0.86253 22.6372 -1.03255 -18.8207 TIMING: 1894200 CPU: 6062.34, 0.00318966/step Wall: 6062.34, 0.00318966/step, 2.75179 hours remaining, 233.113281 MB of memory in use. ENERGY: 1894200 3963.1920 20548.5763 14442.3884 214.5347 -203262.8540 2448.5031 0.0000 0.0000 52145.9839 -109499.6756 299.6837 -161645.6595 -109133.4985 299.2013 -33.6472 -4.7344 760463.2806 -19.9662 -19.9201 PRESSURE: 1894400 -278.782 212.386 -19.6695 212.385 -133.734 31.3503 -19.6702 31.3509 -283.518 GPRESSURE: 1894400 -138.802 199.126 -28.6423 133.23 -209.417 47.6839 -63.6042 -29.2872 -253.904 PRESSAVG: 1894400 -31.3954 -35.9169 -10.7926 -35.9169 44.2076 26.2994 -10.7926 26.2994 5.53667 GPRESSAVG: 1894400 -30.9469 -36.1743 -9.83221 -35.158 44.9364 26.0675 -10.801 27.604 4.57041 TIMING: 1894400 CPU: 6062.98, 0.00318325/step Wall: 6062.98, 0.00318325/step, 2.74609 hours remaining, 233.113281 MB of memory in use. ENERGY: 1894400 4114.5899 20668.9313 14486.0006 247.4898 -203413.8019 2523.9404 0.0000 0.0000 52041.4989 -109331.3510 299.0832 -161372.8499 -108982.2876 299.5191 -232.0113 -200.7078 761079.6844 6.1163 6.1867 PRESSURE: 1894600 -184.948 -116.825 -163.687 -116.824 5.94242 57.1108 -163.687 57.1097 -269.62 GPRESSURE: 1894600 -97.6909 -89.9188 -188.95 40.7682 -89.4242 143.246 -178.582 84.1071 -186.468 PRESSAVG: 1894600 40.8649 -63.4563 17.907 -63.4562 -30.2148 41.9581 17.907 41.9582 2.78614 GPRESSAVG: 1894600 40.9402 -62.143 16.8352 -64.7964 -31.6044 41.3675 19.3897 43.1133 3.90356 TIMING: 1894600 CPU: 6063.62, 0.00321041/step Wall: 6063.62, 0.00321041/step, 2.76934 hours remaining, 233.113281 MB of memory in use. ENERGY: 1894600 4011.0107 20500.0020 14487.6363 258.5521 -203275.7005 2314.6005 0.0000 0.0000 52236.1774 -109467.7215 300.2020 -161703.8989 -109096.9811 299.4024 -149.5419 -124.5276 760396.7034 4.4788 4.4131 PRESSURE: 1894800 -16.8278 -83.0977 -167.998 -83.0976 -57.8072 244.455 -167.999 244.455 119.139 GPRESSURE: 1894800 83.137 -5.44369 -133.407 -181.276 0.906105 208.041 -29.2705 118.148 34.6141 PRESSAVG: 1894800 0.478989 -81.0418 -14.3394 -81.0418 -34.9165 30.6413 -14.3394 30.6412 8.97688 GPRESSAVG: 1894800 -0.16792 -79.9564 -12.573 -79.025 -33.8328 29.6962 -14.9947 28.8424 8.52565 TIMING: 1894800 CPU: 6064.26, 0.00318058/step Wall: 6064.26, 0.00318058/step, 2.74343 hours remaining, 233.113281 MB of memory in use. ENERGY: 1894800 3978.6851 20494.8054 14501.2182 271.7117 -202874.0873 2207.5122 0.0000 0.0000 52085.9736 -109334.1812 299.3388 -161420.1547 -108970.4294 299.1171 14.8348 39.5524 762269.1464 -8.4869 -8.4917 PRESSURE: 1895000 -391.888 -152.576 7.16014 -152.576 -172.378 -163.464 7.16066 -163.465 -100.58 GPRESSURE: 1895000 -356.771 -135.551 42.7714 -163.636 -147.634 -18.8489 131.371 -170.339 -37.9536 PRESSAVG: 1895000 -25.0761 -21.3555 -21.9557 -21.3555 13.9118 26.1096 -21.9558 26.1095 21.2808 GPRESSAVG: 1895000 -25.0098 -23.0897 -22.7199 -22.3696 13.8086 27.3571 -22.145 26.1678 21.6922 TIMING: 1895000 CPU: 6064.9, 0.00320271/step Wall: 6064.9, 0.00320271/step, 2.76234 hours remaining, 233.113281 MB of memory in use. ENERGY: 1895000 4040.7075 20433.9561 14460.2743 256.5494 -203098.8519 2366.1765 0.0000 0.0000 52341.4551 -109199.7329 300.8071 -161541.1880 -108836.4027 299.6862 -221.6150 -180.7860 761417.8260 3.3722 3.4970 PRESSURE: 1895200 -139.183 125.004 237.308 125.005 111.627 -6.39009 237.308 -6.38898 40.0042 GPRESSURE: 1895200 -114.415 86.9498 333.429 104.055 156.778 55.5666 131.56 23.954 42.0651 PRESSAVG: 1895200 6.18748 -11.8785 -17.5267 -11.8784 63.7605 -10.6283 -17.5267 -10.6284 12.4349 GPRESSAVG: 1895200 6.65216 -13.3938 -17.5654 -11.6853 64.4501 -11.6437 -15.5287 -9.9941 11.4218 TIMING: 1895200 CPU: 6065.54, 0.00321788/step Wall: 6065.54, 0.00321788/step, 2.77524 hours remaining, 233.113281 MB of memory in use. ENERGY: 1895200 4041.5559 20639.3409 14464.1399 258.7189 -203730.6705 2891.0560 0.0000 0.0000 52222.6986 -109213.1603 300.1246 -161435.8589 -108845.5896 300.0638 4.1496 28.1429 759925.5522 27.4610 27.5080 PRESSURE: 1895400 52.9013 -156.219 50.9938 -156.219 98.2755 97.1576 50.9937 97.1577 213.892 GPRESSURE: 1895400 160.311 -54.8409 53.9525 -108.576 117.315 100.854 -52.8749 122.852 184.054 PRESSAVG: 1895400 8.57375 -8.73519 -9.78611 -8.73516 -23.3163 -6.34827 -9.78616 -6.34816 -12.6855 GPRESSAVG: 1895400 8.9641 -7.47003 -10.2842 -6.53393 -24.9171 -6.66914 -11.2179 -6.47661 -11.9603 TIMING: 1895400 CPU: 6066.19, 0.0032318/step Wall: 6066.19, 0.0032318/step, 2.78707 hours remaining, 233.113281 MB of memory in use. ENERGY: 1895400 4004.1663 20578.1631 14475.4263 260.4045 -203373.2468 2436.7463 0.0000 0.0000 52278.4660 -109339.8742 300.4451 -161618.3403 -108967.3083 299.3555 121.6897 153.8936 758105.2668 -9.1427 -9.3044 PRESSURE: 1895600 21.4382 -156.85 -1.38908 -156.85 -85.4322 237.362 -1.3887 237.361 -788.336 GPRESSURE: 1895600 79.5733 -69.84 -46.2385 -247.905 30.067 175.632 -0.816564 216.484 -856.904 PRESSAVG: 1895600 28.0191 15.5546 -19.1478 15.5547 -29.1413 -26.133 -19.1477 -26.133 -18.2556 GPRESSAVG: 1895600 26.9464 15.9283 -19.0384 13.0921 -27.7916 -24.4399 -17.9274 -27.2838 -18.8813 TIMING: 1895600 CPU: 6066.83, 0.00322328/step Wall: 6066.83, 0.00322328/step, 2.77954 hours remaining, 233.113281 MB of memory in use. ENERGY: 1895600 4071.3198 20707.6441 14532.3388 241.8967 -203208.5971 2307.6484 0.0000 0.0000 52264.6658 -109083.0834 300.3658 -161347.7493 -108718.3970 299.9068 -284.1099 -249.0878 759567.3010 -6.4593 -6.5755 PRESSURE: 1895800 -17.1267 -50.2721 -95.7846 -50.2719 282.454 31.6007 -95.785 31.6006 -55.4882 GPRESSURE: 1895800 27.5429 -161.408 -91.163 31.5409 304.876 79.8426 -101.445 -14.2939 -17.3326 PRESSAVG: 1895800 -12.0539 2.71325 -21.4901 2.71319 51.3177 -1.34888 -21.4901 -1.34893 -15.4535 GPRESSAVG: 1895800 -12.0658 3.70419 -21.7803 3.04402 50.7735 -1.72485 -21.9719 -2.10377 -14.9565 TIMING: 1895800 CPU: 6067.47, 0.00316444/step Wall: 6067.47, 0.00316444/step, 2.72862 hours remaining, 233.113281 MB of memory in use. ENERGY: 1895800 3958.7760 20593.5652 14496.5774 241.4132 -203341.6459 2653.9495 0.0000 0.0000 52172.1424 -109225.2221 299.8340 -161397.3645 -108853.0290 300.4979 69.9464 105.0287 760036.0005 7.9368 7.9171 PRESSURE: 1896000 -23.5121 -78.5648 -13.2157 -78.5646 -150.553 329.924 -13.2155 329.924 20.4111 GPRESSURE: 1896000 60.5679 -116.599 58.2659 -94.6586 -151.842 299.547 3.44637 248.184 30.6457 PRESSAVG: 1896000 23.0587 -48.2416 -7.23898 -48.2416 -27.0806 2.22831 -7.23894 2.22836 6.75257 GPRESSAVG: 1896000 23.4271 -50.5467 -6.83145 -47.6697 -28.3743 1.56529 -6.67874 3.90131 7.02212 TIMING: 1896000 CPU: 6068.1, 0.00314271/step Wall: 6068.1, 0.00314271/step, 2.70971 hours remaining, 233.113281 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: 1896000 3992.7742 20651.3874 14493.0360 249.3880 -203355.6198 2414.0516 0.0000 0.0000 52320.1079 -109234.8747 300.6844 -161554.9827 -108865.3691 300.2009 -51.2181 -20.2094 759942.4048 0.9102 0.6916 PRESSURE: 1896200 -231.585 -245.101 -189.166 -245.101 -78.3003 -214.354 -189.168 -214.353 -44.6769 GPRESSURE: 1896200 -133.455 -36.6312 -196.365 -190.858 -77.3469 -318.159 -25.6086 -187.437 -51.232 PRESSAVG: 1896200 31.8187 -60.108 8.81585 -60.108 -45.8865 -7.90709 8.8159 -7.90709 14.9372 GPRESSAVG: 1896200 32.0005 -58.1414 8.00567 -59.7688 -44.2906 -7.20733 8.30269 -8.16258 13.0304 TIMING: 1896200 CPU: 6068.73, 0.00315823/step Wall: 6068.73, 0.00315823/step, 2.72292 hours remaining, 233.113281 MB of memory in use. ENERGY: 1896200 3946.6283 20520.8627 14542.2616 238.1738 -203361.0634 2605.6754 0.0000 0.0000 52258.9391 -109248.5225 300.3328 -161507.4616 -108892.3544 300.2791 -118.1875 -87.3447 760610.5981 0.2898 0.2468 LDB: ============= START OF LOAD BALANCING ============== 6081.15 LDB: ============== END OF LOAD BALANCING =============== 6081.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6081.15 LDB: ============= START OF LOAD BALANCING ============== 6081.47 LDB: Largest compute 7033 load 0.034068 is 17.4% of average load 0.195444 LDB: Average compute 0.004415 is 2.3% of average load 0.195444 LDB: TIME 6081.47 LOAD: AVG 0.195444 MAX 0.210735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.441 MB LDB: TIME 6081.47 LOAD: AVG 0.195444 MAX 0.210735 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.52 MB LDB: TIME 6081.47 LOAD: AVG 0.195444 MAX 0.210735 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.52 MB LDB: ============== END OF LOAD BALANCING =============== 6081.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6081.48 PRESSURE: 1896400 -17.8947 175.632 151.994 175.632 285.655 -67.928 151.993 -67.9291 263.473 GPRESSURE: 1896400 18.8086 23.6142 191.95 180.643 366.005 -122.261 186.668 -12.3489 234.923 PRESSAVG: 1896400 8.58616 1.36112 5.16289 1.36104 -43.3262 -3.80074 5.16292 -3.80076 29.7105 GPRESSAVG: 1896400 8.31009 1.26905 5.95429 0.0363625 -44.7716 -3.33209 4.37237 -3.66926 31.1032 TIMING: 1896400 CPU: 6069.37, 0.00322125/step Wall: 6069.37, 0.00322125/step, 2.77708 hours remaining, 232.140625 MB of memory in use. ENERGY: 1896400 3932.0327 20419.8504 14556.0048 262.0594 -203167.6306 2301.5714 0.0000 0.0000 52330.4069 -109365.7050 300.7436 -161696.1119 -108996.1047 299.3829 177.0778 206.5790 760245.2959 -1.6765 -1.7861 PRESSURE: 1896600 196.293 10.2853 66.9476 10.2852 -271.259 -39.1231 66.9483 -39.1236 -21.2146 GPRESSURE: 1896600 151.35 -40.8783 105.154 -37.7735 -144.935 -30.0807 138.272 82.0515 -0.250211 PRESSAVG: 1896600 24.5877 -8.13606 50.4434 -8.13611 -0.0372657 37.1512 50.4435 37.1513 -3.93404 GPRESSAVG: 1896600 23.897 -6.99266 50.3263 -8.49704 0.514425 38.5827 50.1424 37.5569 -4.19202 TIMING: 1896600 CPU: 6070, 0.00315587/step Wall: 6070, 0.00315587/step, 2.72053 hours remaining, 232.414062 MB of memory in use. ENERGY: 1896600 4053.2287 20576.1219 14460.3727 235.8352 -203162.4598 2508.2114 0.0000 0.0000 52173.1484 -109155.5415 299.8398 -161328.6899 -108790.4767 300.2321 -32.0600 2.0548 759760.7562 6.8721 6.7398 PRESSURE: 1896800 -308.46 96.4842 176.639 96.4847 -319.685 -89.4951 176.639 -89.4951 303.889 GPRESSURE: 1896800 -214.252 98.8779 126.214 76.1932 -359.21 -74.5836 122.981 12.0953 335.278 PRESSAVG: 1896800 -20.8016 -11.1805 57.1514 -11.1805 22.4658 12.7369 57.1514 12.737 5.18467 GPRESSAVG: 1896800 -19.8435 -13.4212 59.0564 -10.7695 21.678 9.30849 55.6771 11.9483 5.80333 TIMING: 1896800 CPU: 6070.63, 0.00314148/step Wall: 6070.63, 0.00314148/step, 2.70795 hours remaining, 232.414062 MB of memory in use. ENERGY: 1896800 4033.0145 20618.8789 14497.8198 264.0525 -203009.3351 2241.8639 0.0000 0.0000 52178.6183 -109175.0872 299.8712 -161353.7055 -108818.0882 299.9393 -108.0856 -79.3946 760314.3268 2.2830 2.5459 PRESSURE: 1897000 -15.2135 84.8499 53.8855 84.8497 -67.1027 -113.631 53.8862 -113.629 -147.427 GPRESSURE: 1897000 22.7109 74.3746 110.556 22.9527 38.749 74.0603 -71.8586 -111.95 -220.374 PRESSAVG: 1897000 51.2165 -29.4642 59.8494 -29.4642 -14.4085 49.8771 59.8494 49.8772 14.3688 GPRESSAVG: 1897000 51.3391 -29.8591 58.539 -29.2185 -13.7911 52.7794 60.9189 48.824 13.5299 TIMING: 1897000 CPU: 6071.26, 0.00313535/step Wall: 6071.26, 0.00313535/step, 2.7025 hours remaining, 232.414062 MB of memory in use. ENERGY: 1897000 4018.3163 20594.6755 14526.6056 238.2572 -202801.7010 2196.0284 0.0000 0.0000 52114.2686 -109113.5494 299.5014 -161227.8180 -108748.0157 300.3970 -76.5810 -52.9715 760842.5414 17.0590 17.0260 PRESSURE: 1897200 -346.637 20.3744 -105.956 20.3743 -50.2755 -290.795 -105.956 -290.796 -403.264 GPRESSURE: 1897200 -204.629 -110.209 -57.0108 -0.297488 -126.359 -228.803 -85.2651 -141.357 -377.193 PRESSAVG: 1897200 -18.7118 -34.4016 60.4638 -34.4016 19.0703 19.2563 60.4637 19.2563 -3.61501 GPRESSAVG: 1897200 -18.9646 -33.661 61.0104 -33.1082 19.6892 19.1227 60.925 20.7459 -3.48937 TIMING: 1897200 CPU: 6071.89, 0.00314545/step Wall: 6071.89, 0.00314545/step, 2.71103 hours remaining, 232.414062 MB of memory in use. ENERGY: 1897200 4001.4542 20560.9243 14420.5193 274.5269 -202950.9470 2249.4655 0.0000 0.0000 52137.3703 -109306.6866 299.6342 -161444.0569 -108938.9630 300.2823 -266.7255 -236.0602 760826.8209 -1.0855 -0.9216 PRESSURE: 1897400 397.468 81.0685 -8.07454 81.0682 -3.13822 -34.3421 -8.07366 -34.3413 210.132 GPRESSURE: 1897400 466.757 179.035 -7.07623 10.0461 44.0317 28.8569 -38.9283 -46.5833 185.945 PRESSAVG: 1897400 70.8895 -25.0743 -39.3066 -25.0743 -63.2031 -11.7158 -39.3066 -11.7159 -21.4647 GPRESSAVG: 1897400 70.1845 -22.8641 -41.6751 -25.9449 -63.4988 -12.9891 -38.2464 -13.7537 -20.1738 TIMING: 1897400 CPU: 6072.52, 0.00315814/step Wall: 6072.52, 0.00315814/step, 2.72179 hours remaining, 232.414062 MB of memory in use. ENERGY: 1897400 3992.0029 20538.9557 14506.0280 241.3935 -203551.2926 2775.9303 0.0000 0.0000 52306.8517 -109190.1305 300.6082 -161496.9822 -108826.4027 299.9145 201.4874 232.2445 759275.1254 -4.5927 -4.4960 PRESSURE: 1897600 155.31 28.6437 -140.493 28.6439 -382.66 167.294 -140.492 167.295 -200.234 GPRESSURE: 1897600 184.591 -70.0967 -116.793 5.96044 -349.239 234.727 -104.416 67.2096 -170.026 PRESSAVG: 1897600 84.7258 -50.3981 -8.8164 -50.3982 -94.812 2.73219 -8.8164 2.73216 -5.92316 GPRESSAVG: 1897600 84.1532 -51.8498 -6.65111 -49.761 -93.5224 2.70293 -8.63542 4.73474 -6.89009 TIMING: 1897600 CPU: 6073.15, 0.0031663/step Wall: 6073.15, 0.0031663/step, 2.72865 hours remaining, 232.484375 MB of memory in use. ENERGY: 1897600 3994.7316 20700.9398 14444.4340 254.1746 -202970.3525 2178.0135 0.0000 0.0000 52093.5541 -109304.5048 299.3824 -161398.0588 -108951.0605 299.9394 -142.5283 -111.5577 761368.2849 -5.3365 -5.4198 PRESSURE: 1897800 89.5823 -12.412 133.401 -12.4124 47.4497 -78.6424 133.401 -78.642 46.8205 GPRESSURE: 1897800 112.792 -108.008 113.126 -63.2305 127.701 -138.877 80.0825 -72.6828 19.5146 PRESSAVG: 1897800 32.5167 -42.4579 3.3317 -42.4578 -25.4447 -24.4344 3.33169 -24.4344 16.6446 GPRESSAVG: 1897800 32.9029 -41.9302 2.15783 -43.423 -25.5295 -25.6633 2.82462 -25.7845 16.6539 TIMING: 1897800 CPU: 6073.79, 0.00317396/step Wall: 6073.79, 0.00317396/step, 2.73507 hours remaining, 232.484375 MB of memory in use. ENERGY: 1897800 3939.6472 20664.7605 14478.2777 248.5564 -203376.5144 2360.1430 0.0000 0.0000 52333.9351 -109351.1944 300.7638 -161685.1294 -108988.6059 300.2020 61.2842 86.6692 760564.3694 7.9055 8.0091 PRESSURE: 1898000 301.44 -92.8876 102.329 -92.8872 -234.366 -237.748 102.328 -237.749 628.154 GPRESSURE: 1898000 314.522 37.4026 134.994 72.9289 -178.254 -165.389 98.0184 -147.045 615.639 PRESSAVG: 1898000 55.2436 -40.0764 82.2887 -40.0764 -22.1582 -29.6152 82.2887 -29.6153 29.5817 GPRESSAVG: 1898000 54.6322 -40.9611 83.2852 -39.7209 -21.8141 -28.0895 81.852 -29.8663 29.5412 TIMING: 1898000 CPU: 6074.42, 0.00316438/step Wall: 6074.42, 0.00316438/step, 2.72664 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 3915.9029 20679.5441 14431.9794 234.5043 -203074.0957 2428.0786 0.0000 0.0000 52455.8259 -108928.2606 301.4644 -161384.0864 -108564.3375 300.8392 231.7425 250.6360 761554.8829 20.8890 20.7864 PRESSURE: 1898200 95.7213 -177.225 182.604 -177.226 95.9299 166.414 182.603 166.414 59.5485 GPRESSURE: 1898200 80.9259 -202.6 165.657 -91.8521 173.317 168.942 107.812 151.729 96.8464 PRESSAVG: 1898200 3.56251 -17.9171 19.1742 -17.9171 -20.1125 12.8118 19.1743 12.8118 -11.645 GPRESSAVG: 1898200 3.29618 -14.9815 17.7144 -18.2806 -19.8363 12.8696 20.5079 13.262 -11.4731 TIMING: 1898200 CPU: 6075.05, 0.00314369/step Wall: 6075.05, 0.00314369/step, 2.70864 hours remaining, 232.484375 MB of memory in use. ENERGY: 1898200 4039.7174 20736.8445 14472.0505 226.8539 -203458.2941 2661.5432 0.0000 0.0000 52139.0404 -109182.2443 299.6438 -161321.2846 -108829.9377 300.5592 83.7332 117.0296 760264.0242 -9.3983 -9.3378 PRESSURE: 1898400 -316.414 -26.0342 -3.23962 -26.0343 -168.036 -33.0044 -3.23912 -33.0057 -78.9434 GPRESSURE: 1898400 -264.27 -18.8392 -57.1503 -122.265 -158.113 -125.23 124.212 -46.8279 -40.7624 PRESSAVG: 1898400 -43.2674 6.56753 40.6738 6.56761 45.0424 31.7727 40.6737 31.7728 6.03182 GPRESSAVG: 1898400 -42.4603 3.29577 41.3598 6.13896 45.2749 31.4411 39.5112 31.6425 6.01463 TIMING: 1898400 CPU: 6075.68, 0.00314222/step Wall: 6075.68, 0.00314222/step, 2.7072 hours remaining, 232.484375 MB of memory in use. ENERGY: 1898400 4045.7142 20643.8344 14497.8317 262.1190 -202776.2444 2240.6191 0.0000 0.0000 52071.7348 -109014.3911 299.2570 -161086.1259 -108653.9630 300.1918 -187.7980 -154.3815 762464.4264 2.6023 2.9431 PRESSURE: 1898600 -132.177 -183.15 136.785 -183.15 -273.213 46.8791 136.786 46.8791 -73.0835 GPRESSURE: 1898600 -90.2338 -221.024 95.6583 -172.503 -217.211 32.5413 181.014 20.7871 -88.417 PRESSAVG: 1898600 -50.2957 4.11688 27.3708 4.11685 80.5132 -49.4982 27.3708 -49.4982 -3.86677 GPRESSAVG: 1898600 -49.1866 6.64744 28.4798 6.51038 79.8253 -49.6403 25.8824 -49.5906 -3.98056 TIMING: 1898600 CPU: 6076.31, 0.00314037/step Wall: 6076.31, 0.00314037/step, 2.70542 hours remaining, 232.484375 MB of memory in use. ENERGY: 1898600 3968.6381 20671.8261 14479.2376 265.3606 -203298.5543 2466.4912 0.0000 0.0000 52231.2283 -109215.7724 300.1736 -161447.0007 -108858.4636 300.7913 -159.4913 -131.9540 762270.6986 8.7836 8.8860 PRESSURE: 1898800 223.385 39.3196 264.101 39.3196 -157.085 105.869 264.101 105.869 228.036 GPRESSURE: 1898800 233.483 -29.2747 243.823 -4.53747 -152.878 192.705 248.587 189.483 286.833 PRESSAVG: 1898800 -30.3476 30.3233 47.9942 30.3234 13.9176 -52.5031 47.9942 -52.5031 -7.58766 GPRESSAVG: 1898800 -30.3352 28.9851 46.8364 30.1186 14.7354 -53.5682 50.3518 -51.8681 -7.80582 TIMING: 1898800 CPU: 6076.94, 0.00315876/step Wall: 6076.94, 0.00315876/step, 2.7211 hours remaining, 232.484375 MB of memory in use. ENERGY: 1898800 3983.9260 20588.1006 14500.1016 256.1761 -203636.1441 2805.3802 0.0000 0.0000 52309.1559 -109193.3037 300.6214 -161502.4596 -108821.0486 300.2677 98.1121 122.4790 761006.9544 -8.0059 -7.8019 PRESSURE: 1899000 22.4643 -74.3774 26.5654 -74.3765 252.813 -89.5921 26.5646 -89.5913 -77.0803 GPRESSURE: 1899000 93.3418 -43.815 87.9558 -52.2937 185.103 -63.4517 -11.7996 -63.0526 -13.979 PRESSAVG: 1899000 -23.6886 30.0514 13.4084 30.0514 -7.26127 -14.1775 13.4083 -14.1775 26.8529 GPRESSAVG: 1899000 -23.4122 29.5643 13.4569 28.3022 -8.52953 -14.6504 11.9775 -13.7894 27.4311 TIMING: 1899000 CPU: 6077.57, 0.00314686/step Wall: 6077.57, 0.00314686/step, 2.71067 hours remaining, 232.484375 MB of memory in use. ENERGY: 1899000 4024.6755 20550.2537 14449.5370 241.6586 -203462.2321 2710.5319 0.0000 0.0000 52217.1447 -109268.4307 300.0926 -161485.5754 -108900.5563 300.2406 66.0655 88.1551 763227.6162 -1.3656 -1.5035 PRESSURE: 1899200 -265.482 159.281 -313.313 159.281 -84.6662 -303.475 -313.311 -303.475 265.588 GPRESSURE: 1899200 -206.894 113.977 -285.184 84.3894 -7.74579 -262.208 -210.883 -354.803 229.066 PRESSAVG: 1899200 -39.4313 10.8263 34.1745 10.8263 33.0392 -57.0205 34.1745 -57.0204 13.2388 GPRESSAVG: 1899200 -39.8542 11.8027 35.3994 13.2693 32.8728 -55.4993 36.1153 -56.7198 13.9971 TIMING: 1899200 CPU: 6078.2, 0.00316421/step Wall: 6078.2, 0.00316421/step, 2.72544 hours remaining, 232.484375 MB of memory in use. ENERGY: 1899200 4011.7659 20641.0596 14475.7608 239.0411 -203338.9472 2530.6578 0.0000 0.0000 52385.1062 -109055.5559 301.0579 -161440.6621 -108692.4842 300.4299 -28.1865 4.8089 760610.7521 2.2822 2.3386 PRESSURE: 1899400 -128.322 153.207 -99.6065 153.207 -120.214 -332.943 -99.6068 -332.942 -4.29967 GPRESSURE: 1899400 -19.1586 217.63 -176.642 181.988 -103.661 -325.67 -186.472 -217.847 -42.7647 PRESSAVG: 1899400 1.96313 -19.3742 19.1729 -19.3742 12.6412 -38.4166 19.1729 -38.4166 12.8075 GPRESSAVG: 1899400 2.00496 -19.687 17.8583 -21.6915 13.4666 -38.8753 17.8714 -38.6714 12.2911 TIMING: 1899400 CPU: 6078.83, 0.00315975/step Wall: 6078.83, 0.00315975/step, 2.72143 hours remaining, 232.484375 MB of memory in use. ENERGY: 1899400 3984.5834 20589.8064 14438.6854 256.4484 -203056.2533 2347.1927 0.0000 0.0000 52165.9459 -109273.5910 299.7984 -161439.5370 -108913.0137 299.8064 -84.2784 -55.1949 761918.1341 9.1373 9.2542 PRESSURE: 1899600 -134.412 -74.7074 -35.1496 -74.708 -153.031 -74.0484 -35.1497 -74.0478 -216.366 GPRESSURE: 1899600 -84.07 -0.2216 -40.387 33.5033 -162.843 -87.3136 83.452 -266.748 -168.695 PRESSAVG: 1899600 26.3543 -1.83419 12.3185 -1.83423 -31.279 -69.7039 12.3185 -69.7038 -7.9506 GPRESSAVG: 1899600 26.5286 -1.61283 13.0217 -0.882919 -31.6171 -70.6355 12.8187 -71.9552 -7.53708 TIMING: 1899600 CPU: 6079.46, 0.00315163/step Wall: 6079.46, 0.00315163/step, 2.71425 hours remaining, 232.484375 MB of memory in use. ENERGY: 1899600 3915.6516 20430.5651 14472.3987 238.3954 -203415.0780 2848.4962 0.0000 0.0000 51989.8337 -109519.7374 298.7863 -161509.5710 -109153.1088 299.4569 -167.9360 -138.5362 764123.2829 -4.2918 -4.2085 PRESSURE: 1899800 -137.212 -114.219 -51.8601 -114.219 -78.0686 -113.482 -51.8602 -113.482 165.267 GPRESSURE: 1899800 -177.097 -190.619 -18.0085 -83.7529 3.5078 -131.241 -6.38659 -113.717 203.863 PRESSAVG: 1899800 63.6376 -87.4325 4.20853 -87.4325 -54.1744 -70.5348 4.20853 -70.5347 -6.81406 GPRESSAVG: 1899800 64.1381 -88.474 3.23326 -90.2034 -53.5252 -69.7407 5.24813 -69.9295 -7.75224 TIMING: 1899800 CPU: 6080.09, 0.00316079/step Wall: 6080.09, 0.0031608/step, 2.72197 hours remaining, 232.484375 MB of memory in use. ENERGY: 1899800 4015.0402 20444.6522 14466.8957 254.7252 -203566.5081 2930.5549 0.0000 0.0000 51837.6295 -109617.0106 297.9116 -161454.6400 -109262.4079 299.2285 -16.6712 10.0913 762540.1903 0.8830 0.9536 PRESSURE: 1900000 325.362 -62.3544 -227.119 -62.3539 -234.009 -208.713 -227.121 -208.713 -431.812 GPRESSURE: 1900000 248.457 -81.0753 -216.096 7.01807 -54.9886 -168.123 -318.545 -136.258 -427.479 PRESSAVG: 1900000 2.81082 -33.577 25.5553 -33.577 -20.4473 -30.4622 25.5553 -30.4622 12.0274 GPRESSAVG: 1900000 1.28978 -32.0241 25.3081 -30.5334 -18.7738 -28.6297 25.736 -29.2635 11.9544 TIMING: 1900000 CPU: 6080.74, 0.0032106/step Wall: 6080.74, 0.0032106/step, 2.76468 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1900000 3999.3933 20321.0747 14534.6534 231.5150 -203731.6225 2657.3904 0.0000 0.0000 52183.9696 -109803.6263 299.9020 -161987.5958 -109432.5588 298.6235 -113.4863 -78.0037 761518.1954 -1.8697 -1.8432 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.4.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 19.5197 112.984 108.62 112.984 -43.9806 -148.711 108.62 -148.71 -96.9442 GPRESSURE: 1900200 24.0032 112.747 98.9501 49.3015 60.2243 -113.379 165.85 -204.833 -128.736 PRESSAVG: 1900200 -38.0136 -2.72651 19.0996 -2.72648 16.5706 -22.9711 19.0996 -22.9712 -20.366 GPRESSAVG: 1900200 -36.9995 -4.14681 20.146 -2.9747 14.3113 -24.3108 17.8186 -20.4857 -19.741 TIMING: 1900200 CPU: 6081.39, 0.00328424/step Wall: 6081.39, 0.00328424/step, 2.82792 hours remaining, 232.484375 MB of memory in use. ENERGY: 1900200 3939.0816 20468.4901 14510.2112 244.5174 -203608.8232 2705.8048 0.0000 0.0000 52212.6018 -109528.1164 300.0665 -161740.7181 -109170.8329 298.8539 -40.4684 -14.8361 762220.0314 -13.9363 -14.1431 LDB: ============= START OF LOAD BALANCING ============== 6093.82 LDB: ============== END OF LOAD BALANCING =============== 6093.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6093.82 LDB: ============= START OF LOAD BALANCING ============== 6094.14 LDB: Largest compute 7033 load 0.035034 is 17.9% of average load 0.195453 LDB: Average compute 0.004408 is 2.3% of average load 0.195453 LDB: TIME 6094.14 LOAD: AVG 0.195453 MAX 0.213674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.176 MB LDB: TIME 6094.14 LOAD: AVG 0.195453 MAX 0.213674 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.176 MB LDB: TIME 6094.14 LOAD: AVG 0.195453 MAX 0.213674 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.176 MB LDB: ============== END OF LOAD BALANCING =============== 6094.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6094.15 PRESSURE: 1900400 134.479 65.8901 272.78 65.8898 25.607 240.639 272.779 240.638 -576.148 GPRESSURE: 1900400 90.7427 14.6273 211.184 136.854 77.3173 289.5 225.056 -6.08262 -500.087 PRESSAVG: 1900400 18.7315 2.73394 55.9412 2.73398 -34.2699 17.2721 55.9411 17.2721 -9.15372 GPRESSAVG: 1900400 18.1603 2.53092 55.1445 4.18153 -33.8633 19.1127 56.199 12.9805 -8.89743 TIMING: 1900400 CPU: 6082.04, 0.00324487/step Wall: 6082.04, 0.00324487/step, 2.79383 hours remaining, 232.082031 MB of memory in use. ENERGY: 1900400 4049.8520 20397.6631 14531.3802 243.1974 -203232.3854 2766.1923 0.0000 0.0000 51791.0055 -109453.0949 297.6436 -161244.1004 -109098.1083 299.2402 -138.6873 -110.6758 763326.8269 -8.2307 -8.2001 PRESSURE: 1900600 -38.5128 -69.6083 199.25 -69.6082 -189.515 -90.9297 199.251 -90.9293 -7.31543 GPRESSURE: 1900600 43.0456 -4.01871 215.061 -196.152 -232.472 -193.337 308.28 -99.1816 37.1879 PRESSAVG: 1900600 -6.91585 -13.1699 55.4035 -13.1699 -31.8691 2.14369 55.4035 2.14375 -26.073 GPRESSAVG: 1900600 -8.31864 -10.5937 56.9114 -16.3546 -31.0107 0.988123 56.133 4.19717 -25.6093 TIMING: 1900600 CPU: 6082.68, 0.00319815/step Wall: 6082.68, 0.00319815/step, 2.75343 hours remaining, 232.152344 MB of memory in use. ENERGY: 1900600 3980.7719 20426.2631 14565.2708 253.8016 -203513.8631 2769.5834 0.0000 0.0000 52099.2047 -109418.9676 299.4148 -161518.1723 -109052.5477 298.6854 -78.4478 -50.7460 764779.7225 -21.6193 -21.6462 PRESSURE: 1900800 -221.602 31.0737 40.5408 31.0745 -418.71 -163.079 40.5396 -163.078 -19.5319 GPRESSURE: 1900800 -195.483 -77.8045 144.427 155.698 -325.865 -217.943 4.82853 -112.559 -41.3187 PRESSAVG: 1900800 50.8109 -7.73062 15.8677 -7.73063 -33.2422 -42.4609 15.8676 -42.4609 -24.6916 GPRESSAVG: 1900800 51.7304 -8.90429 15.3443 -8.57784 -33.066 -42.7662 15.624 -41.1555 -25.5372 TIMING: 1900800 CPU: 6083.32, 0.00317716/step Wall: 6083.32, 0.00317716/step, 2.73518 hours remaining, 232.152344 MB of memory in use. ENERGY: 1900800 3984.5554 20519.3293 14523.3965 258.9560 -203163.6462 2455.2807 0.0000 0.0000 52088.1071 -109334.0212 299.3511 -161422.1283 -108980.8007 298.9461 -219.9479 -187.5553 762869.1504 -2.3743 -2.2909 PRESSURE: 1901000 196.205 39.8445 -78.6902 39.8456 -153.13 -24.6593 -78.6898 -24.6596 -61.1549 GPRESSURE: 1901000 211.719 96.7801 -58.541 53.2093 -76.4851 -95.8946 -64.8998 46.7573 -70.7972 PRESSAVG: 1901000 39.6583 19.8324 -29.6846 19.8324 -55.6747 -20.6736 -29.6847 -20.6735 -7.17619 GPRESSAVG: 1901000 38.8097 21.4056 -28.3752 19.0892 -56.3459 -20.2203 -31.9631 -21.1574 -6.1544 TIMING: 1901000 CPU: 6083.95, 0.00315475/step Wall: 6083.95, 0.00315475/step, 2.71571 hours remaining, 232.152344 MB of memory in use. ENERGY: 1901000 3980.2919 20488.2915 14479.4303 239.7858 -203044.0949 2515.5093 0.0000 0.0000 51866.1607 -109474.6253 298.0755 -161340.7860 -109114.3283 299.3977 -6.0267 21.4790 762604.3196 -7.7309 -7.8969 PRESSURE: 1901200 234.328 95.2768 -42.363 95.2768 -25.1721 -43.0684 -42.3628 -43.0688 483.542 GPRESSURE: 1901200 332.649 27.7038 -55.2835 59.9835 -50.2024 16.2982 47.8847 -48.4335 483.072 PRESSAVG: 1901200 93.1873 10.7305 22.4755 10.7305 -48.4162 5.36108 22.4755 5.36107 33.9982 GPRESSAVG: 1901200 94.395 8.48348 20.2101 13.7306 -49.7806 5.83318 25.4096 4.9472 34.2739 TIMING: 1901200 CPU: 6084.58, 0.00316694/step Wall: 6084.58, 0.00316694/step, 2.72603 hours remaining, 232.152344 MB of memory in use. ENERGY: 1901200 4032.5870 20539.2953 14555.3584 257.9081 -203473.6031 2667.0613 0.0000 0.0000 51984.7653 -109436.6277 298.7572 -161421.3931 -109077.2179 299.2897 230.8993 255.1730 761549.8916 26.2564 26.2961 PRESSURE: 1901400 3.20075 89.7265 -47.0408 89.7271 -378.979 7.66511 -47.0408 7.66388 -111.939 GPRESSURE: 1901400 92.3897 -38.6355 -85.0636 143.529 -391.691 -87.592 -56.3791 86.5872 -99.7214 PRESSAVG: 1901400 22.1024 36.2652 8.03687 36.2651 1.97426 -24.5394 8.03687 -24.5393 -8.80004 GPRESSAVG: 1901400 21.6738 36.1913 8.07071 36.6974 2.39033 -24.8419 8.33017 -26.8002 -8.86776 TIMING: 1901400 CPU: 6085.21, 0.00316025/step Wall: 6085.21, 0.00316025/step, 2.7201 hours remaining, 232.152344 MB of memory in use. ENERGY: 1901400 4020.5867 20612.6641 14503.3529 227.6021 -203373.8374 2491.4733 0.0000 0.0000 52290.4842 -109227.6740 300.5141 -161518.1582 -108865.1569 300.1362 -162.5725 -133.0076 761840.0982 5.0922 5.0655 PRESSURE: 1901600 93.0773 -88.4963 97.3944 -88.4961 -165.085 -191.768 97.394 -191.768 -67.7645 GPRESSURE: 1901600 50.8795 25.3738 63.9171 -118.368 -12.8477 -133.328 62.1655 -83.0609 -104.003 PRESSAVG: 1901600 25.478 -50.3578 -0.748785 -50.3578 -38.9607 -24.4806 -0.748814 -24.4806 12.4974 GPRESSAVG: 1901600 25.1884 -48.7237 1.18087 -50.6349 -38.3722 -24.5207 -2.91676 -21.7952 11.984 TIMING: 1901600 CPU: 6085.85, 0.00317083/step Wall: 6085.85, 0.00317083/step, 2.72903 hours remaining, 232.152344 MB of memory in use. ENERGY: 1901600 3977.1897 20495.8587 14596.3939 263.1006 -203056.5119 2258.9792 0.0000 0.0000 52324.9660 -109140.0238 300.7123 -161464.9898 -108777.8042 300.0461 -46.5908 -21.9903 761510.6926 -0.3285 -0.4000 PRESSURE: 1901800 320.026 -139.653 -18.1199 -139.653 23.4809 -114.298 -18.1196 -114.298 43.0214 GPRESSURE: 1901800 361.683 -3.09284 -46.4003 -76.7305 46.5675 -174.219 -104.538 -153.228 65.2165 PRESSAVG: 1901800 31.4496 -18.2109 35.3508 -18.2109 -20.0189 -40.5922 35.3508 -40.5921 13.0865 GPRESSAVG: 1901800 30.1264 -18.9345 32.6242 -18.7987 -18.6492 -40.0025 37.4236 -40.1015 13.306 TIMING: 1901800 CPU: 6086.48, 0.00317192/step Wall: 6086.48, 0.00317192/step, 2.72979 hours remaining, 232.152344 MB of memory in use. ENERGY: 1901800 3966.7717 20409.3401 14495.6571 222.6998 -203572.3123 2805.5994 0.0000 0.0000 52348.4301 -109323.8140 300.8471 -161672.2442 -108960.2111 300.3211 128.8428 157.8224 761106.6806 8.1724 8.2610 PRESSURE: 1902000 138.624 -332.135 -103.964 -332.134 141.754 29.4441 -103.964 29.4445 -521.26 GPRESSURE: 1902000 213.668 -387.383 -61.3559 -336.016 83.6947 116.326 -140.097 95.2753 -478.583 PRESSAVG: 1902000 85.3027 -60.7539 -48.9046 -60.7539 -44.9477 -34.1302 -48.9045 -34.1301 -2.84735 GPRESSAVG: 1902000 86.0972 -60.5885 -47.9324 -60.8345 -45.8143 -35.9789 -51.1335 -34.7004 -2.8147 TIMING: 1902000 CPU: 6087.11, 0.00313571/step Wall: 6087.11, 0.00313571/step, 2.69845 hours remaining, 232.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1902000 3995.4250 20545.4188 14513.7753 259.2868 -203119.9381 2454.5482 0.0000 0.0000 52141.6947 -109209.7894 299.6590 -161351.4841 -108843.9681 299.8612 -80.2942 -60.4069 761453.2824 12.5026 12.4894 PRESSURE: 1902200 -55.1767 -79.4533 273.799 -79.4529 270.999 -16.8413 273.799 -16.8416 -261.426 GPRESSURE: 1902200 -9.13768 -78.5194 296.96 -14.8799 219.56 48.2888 331.633 -7.03727 -181.955 PRESSAVG: 1902200 46.4052 -38.8939 14.6741 -38.894 -41.5123 3.95678 14.6742 3.9568 -3.3206 GPRESSAVG: 1902200 47.4655 -37.049 16.4469 -38.2462 -42.1138 6.3453 16.7636 3.7251 -3.49757 TIMING: 1902200 CPU: 6087.74, 0.00313516/step Wall: 6087.74, 0.00313516/step, 2.6978 hours remaining, 232.152344 MB of memory in use. ENERGY: 1902200 4006.7603 20353.6486 14551.7990 227.3849 -203012.3520 2594.0077 0.0000 0.0000 52171.2761 -109107.4754 299.8290 -161278.7515 -108742.9908 300.0067 -15.2014 9.4893 762205.7567 0.5241 0.6180 PRESSURE: 1902400 -242.31 153.57 -59.7101 153.57 -6.14014 89.2148 -59.71 89.2159 -223.034 GPRESSURE: 1902400 -138.414 57.7935 -90.3205 62.8855 45.5697 61.4738 -25.3754 -58.7391 -301.434 PRESSAVG: 1902400 83.6282 -22.1566 28.2542 -22.1566 -53.6567 -1.21265 28.2541 -1.21266 15.2663 GPRESSAVG: 1902400 82.6301 -23.9183 28.4725 -23.1656 -54.4191 -2.50314 26.7352 -1.70614 16.636 TIMING: 1902400 CPU: 6088.36, 0.00313089/step Wall: 6088.36, 0.00313089/step, 2.69396 hours remaining, 232.152344 MB of memory in use. ENERGY: 1902400 4013.8244 20405.6660 14542.3756 248.6799 -203435.8363 2662.6801 0.0000 0.0000 52332.2516 -109230.3587 300.7542 -161562.6103 -108870.5793 300.4032 -157.1612 -131.4261 762504.7288 15.0793 14.9490 PRESSURE: 1902600 15.3236 -50.0977 12.1137 -50.0974 1.55908 -91.125 12.1132 -91.126 -264.555 GPRESSURE: 1902600 10.4112 -44.5426 -59.3731 -163.026 49.7488 -39.629 94.0301 13.5451 -219.617 PRESSAVG: 1902600 42.6788 -21.1361 9.01572 -21.1361 -13.0627 104.237 9.01575 104.237 -2.57767 GPRESSAVG: 1902600 42.7729 -22.1814 7.82132 -20.0668 -12.7619 104.778 8.34028 105.271 -3.05341 TIMING: 1902600 CPU: 6088.99, 0.0031407/step Wall: 6088.99, 0.0031407/step, 2.70222 hours remaining, 232.152344 MB of memory in use. ENERGY: 1902600 3959.9171 20542.5508 14570.7107 241.2623 -203162.7974 2363.1291 0.0000 0.0000 52209.2989 -109275.9286 300.0476 -161485.2275 -108912.2027 299.8549 -82.5576 -53.1525 760961.3661 9.0128 8.9858 PRESSURE: 1902800 262.058 103.518 -169.755 103.518 -470.934 33.9185 -169.756 33.9177 -160.575 GPRESSURE: 1902800 304.198 112.497 -116.474 85.0218 -432.496 48.6789 -113.968 -35.669 -161.902 PRESSAVG: 1902800 48.7133 23.2068 9.63537 23.2068 -70.9068 77.039 9.63538 77.039 20.8366 GPRESSAVG: 1902800 48.2608 25.3489 10.94 22.0379 -69.9299 76.5752 9.69084 76.7876 20.6477 TIMING: 1902800 CPU: 6089.62, 0.00313458/step Wall: 6089.62, 0.00313458/step, 2.69679 hours remaining, 232.152344 MB of memory in use. ENERGY: 1902800 4066.7127 20599.8221 14506.7685 237.7869 -203296.7179 2492.6633 0.0000 0.0000 52081.6780 -109311.2864 299.3141 -161392.9644 -108949.3581 299.6874 -123.1505 -96.7330 762805.3906 -0.4523 -0.3405 PRESSURE: 1903000 9.13834 77.2284 41.545 77.2283 72.4336 -66.8737 41.5451 -66.8748 -134.644 GPRESSURE: 1903000 10.9868 35.4781 63.3457 67.33 118.008 -59.5357 -92.7352 -33.7989 -104.432 PRESSAVG: 1903000 35.8886 -22.142 -35.2953 -22.142 -25.5367 63.5918 -35.2953 63.5918 8.11915 GPRESSAVG: 1903000 37.5389 -23.6298 -35.7328 -20.8841 -27.3283 63.3207 -34.9047 63.2792 8.26596 TIMING: 1903000 CPU: 6090.24, 0.00313457/step Wall: 6090.24, 0.00313457/step, 2.6966 hours remaining, 232.152344 MB of memory in use. ENERGY: 1903000 4000.7933 20536.4668 14488.1074 241.4786 -203662.9332 2778.8156 0.0000 0.0000 52221.6161 -109395.6554 300.1183 -161617.2715 -109034.6248 299.6608 -17.6907 8.1875 760923.7450 6.1570 6.1589 PRESSURE: 1903200 -56.0467 129.061 -137.528 129.061 -345.436 116.388 -137.527 116.388 -413.134 GPRESSURE: 1903200 -6.64106 54.0974 -96.4307 105.937 -332.916 46.132 -92.924 158.609 -395.319 PRESSAVG: 1903200 11.474 -23.5577 -11.1565 -23.5576 -25.654 -29.7682 -11.1565 -29.7682 -3.94002 GPRESSAVG: 1903200 10.3096 -23.8015 -12.6145 -24.1353 -24.365 -29.7518 -9.72151 -31.7491 -4.15928 TIMING: 1903200 CPU: 6090.87, 0.00313536/step Wall: 6090.87, 0.00313536/step, 2.6971 hours remaining, 232.152344 MB of memory in use. ENERGY: 1903200 3923.4529 20482.2534 14460.9887 244.3394 -203158.7208 2487.0350 0.0000 0.0000 52289.7091 -109270.9424 300.5097 -161560.6515 -108890.4540 299.4743 -271.5389 -244.9588 764751.3125 -6.0400 -6.0716 PRESSURE: 1903400 -109.347 -84.5793 91.1027 -84.5803 -208.453 -92.9694 91.1023 -92.9701 471.742 GPRESSURE: 1903400 -144.816 -125.309 67.7622 -7.70244 -48.6233 -172.049 173.643 0.296924 449.34 PRESSAVG: 1903400 29.9589 -3.23543 40.3521 -3.23548 -60.0106 -30.8754 40.3522 -30.8753 -5.08586 GPRESSAVG: 1903400 29.9781 -1.08369 40.3154 -4.68033 -59.2753 -29.5071 41.706 -30.0265 -5.50955 TIMING: 1903400 CPU: 6091.5, 0.0031326/step Wall: 6091.5, 0.0031326/step, 2.69455 hours remaining, 232.152344 MB of memory in use. ENERGY: 1903400 3968.0958 20587.0627 14402.7672 245.5308 -203197.5502 2695.6979 0.0000 0.0000 52083.1980 -109215.1979 299.3229 -161298.3959 -108859.6569 299.6601 51.3138 85.3003 761851.4902 -11.7125 -11.6022 PRESSURE: 1903600 109.171 -116.68 202.018 -116.679 -240.467 88.5081 202.017 88.5078 -87.6997 GPRESSURE: 1903600 172.472 -87.721 270.393 -56.9542 -135.281 66.0993 119.354 -20.8807 -155.921 PRESSAVG: 1903600 47.9284 -38.3219 -29.8448 -38.3219 -63.5018 34.8741 -29.8449 34.8741 -4.27756 GPRESSAVG: 1903600 48.5365 -39.6912 -30.2567 -36.391 -63.7414 35.8502 -32.3169 34.5522 -4.85688 TIMING: 1903600 CPU: 6092.13, 0.00314689/step Wall: 6092.13, 0.00314689/step, 2.70667 hours remaining, 232.152344 MB of memory in use. ENERGY: 1903600 3954.5703 20465.8054 14532.4751 253.6122 -203333.6597 2805.8589 0.0000 0.0000 52159.8627 -109161.4752 299.7634 -161321.3379 -108801.5144 299.6600 -72.9987 -39.5766 763017.3464 -6.6170 -6.6873 PRESSURE: 1903800 390.668 -130.915 -297.75 -130.915 200.954 -204.896 -297.749 -204.896 587.164 GPRESSURE: 1903800 339.264 -6.31381 -287.063 -261.19 331.184 -199.982 -195.265 -99.0696 585.187 PRESSAVG: 1903800 106.294 -55.2475 -39.8248 -55.2476 -90.5364 20.9181 -39.8248 20.9181 22.1022 GPRESSAVG: 1903800 105.395 -55.7606 -39.0727 -56.6438 -90.8064 19.9479 -38.5519 21.1141 23.3519 TIMING: 1903800 CPU: 6092.76, 0.00314659/step Wall: 6092.76, 0.00314659/step, 2.70624 hours remaining, 232.152344 MB of memory in use. ENERGY: 1903800 4036.0016 20450.8140 14518.8810 248.3724 -204013.4691 3039.4340 0.0000 0.0000 52449.6045 -109270.3618 301.4286 -161719.9663 -108904.1220 300.1044 392.9288 418.5448 760587.2621 12.6199 12.6469 PRESSURE: 1904000 -4.95419 10.6264 -59.2827 10.6262 -279.278 213.867 -59.2826 213.867 -9.57902 GPRESSURE: 1904000 -50.7824 -29.5737 -164.398 -40.3519 -164.582 282.526 -40.9366 211.281 2.62547 PRESSAVG: 1904000 8.0118 25.0752 25.8276 25.0752 -38.8906 -17.4831 25.8276 -17.4831 23.8062 GPRESSAVG: 1904000 8.97267 24.7665 26.0789 26.0706 -37.9299 -18.4511 24.4766 -13.4171 22.1911 TIMING: 1904000 CPU: 6093.38, 0.00313551/step Wall: 6093.38, 0.00313551/step, 2.69654 hours remaining, 232.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 4024.4165 20536.8237 14516.3117 227.6849 -203567.5553 2559.6179 0.0000 0.0000 52339.3853 -109363.3154 300.7952 -161702.7007 -108998.2502 299.1596 -97.9369 -70.9131 761952.5366 -2.3575 -2.2554 PRESSURE: 1904200 144.813 -245.224 -249.038 -245.224 -134.458 -5.1372 -249.037 -5.13645 33.9838 GPRESSURE: 1904200 166.989 -178.789 -223.272 -220.379 -74.934 -20.4648 -275.957 -134.198 38.827 PRESSAVG: 1904200 34.2037 -40.3123 2.0735 -40.3122 -6.88772 -34.7659 2.07351 -34.7659 -0.754695 GPRESSAVG: 1904200 33.2675 -37.5621 1.60938 -42.4755 -8.0259 -35.5816 2.93704 -38.3239 1.03706 TIMING: 1904200 CPU: 6094.01, 0.00314294/step Wall: 6094.01, 0.00314294/step, 2.70275 hours remaining, 232.152344 MB of memory in use. ENERGY: 1904200 3982.1364 20415.7666 14487.6806 241.6563 -203268.5233 2596.1754 0.0000 0.0000 52241.0931 -109304.0149 300.2303 -161545.1080 -108937.0101 299.8507 14.7797 43.6272 761352.6530 8.8538 8.7596 LDB: ============= START OF LOAD BALANCING ============== 6106.43 LDB: ============== END OF LOAD BALANCING =============== 6106.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.43 LDB: ============= START OF LOAD BALANCING ============== 6106.75 LDB: Largest compute 7033 load 0.033080 is 16.9% of average load 0.195428 LDB: Average compute 0.004411 is 2.3% of average load 0.195428 LDB: TIME 6106.75 LOAD: AVG 0.195428 MAX 0.218669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.402 MB LDB: TIME 6106.75 LOAD: AVG 0.195428 MAX 0.218669 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.402 MB LDB: TIME 6106.75 LOAD: AVG 0.195428 MAX 0.218044 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.402 MB LDB: ============== END OF LOAD BALANCING =============== 6106.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.76 PRESSURE: 1904400 -302.925 -126.273 -105.862 -126.273 -381.31 48.2328 -105.862 48.2322 -147.664 GPRESSURE: 1904400 -205.898 -5.84613 -64.3282 -124.615 -400.692 -54.4892 73.3049 18.8905 -122.077 PRESSAVG: 1904400 63.6769 -21.7359 18.1921 -21.7359 -86.9334 -54.4967 18.1921 -54.4968 14.1633 GPRESSAVG: 1904400 64.126 -24.227 19.1366 -17.1461 -86.6265 -53.6965 18.4879 -55.906 13.775 TIMING: 1904400 CPU: 6094.65, 0.0032076/step Wall: 6094.65, 0.0032076/step, 2.75818 hours remaining, 232.972656 MB of memory in use. ENERGY: 1904400 4034.1821 20458.5652 14471.4639 244.1810 -203132.9583 2200.7737 0.0000 0.0000 52445.3078 -109278.4845 301.4039 -161723.7924 -108904.1062 299.5624 -277.2996 -242.8892 761806.4694 -3.0311 -2.9085 PRESSURE: 1904600 -412.653 130.438 37.7093 130.437 -190.384 -172.155 37.7097 -172.157 104.991 GPRESSURE: 1904600 -356.136 19.0141 108.714 -4.49799 -157.371 -258.941 -41.117 -58.3487 84.7042 PRESSAVG: 1904600 22.3402 30.5431 -19.0037 30.543 -56.9801 -2.45599 -19.0038 -2.45591 -10.4816 GPRESSAVG: 1904600 21.7968 31.0483 -19.675 27.8429 -57.5059 -0.988248 -20.1138 -3.03321 -10.1413 TIMING: 1904600 CPU: 6095.29, 0.00317976/step Wall: 6095.29, 0.00317976/step, 2.73406 hours remaining, 233.171875 MB of memory in use. ENERGY: 1904600 4005.5662 20463.2862 14461.3368 243.9160 -202873.7309 2263.1715 0.0000 0.0000 52048.7384 -109387.7160 299.1248 -161436.4543 -109031.3159 299.5105 -166.0151 -142.9343 762344.0120 -15.0405 -15.2835 PRESSURE: 1904800 50.2776 278.157 2.66256 278.158 33.3466 8.2324 2.66261 8.23239 -306.776 GPRESSURE: 1904800 9.57017 318.581 -21.5439 213.329 69.7864 -4.54546 64.8098 -16.9352 -207.601 PRESSAVG: 1904800 68.9965 7.51294 -12.3717 7.51289 -59.1101 9.83759 -12.3717 9.83763 9.54706 GPRESSAVG: 1904800 68.9242 7.21969 -13.264 6.45633 -59.1469 9.14344 -10.2401 11.977 9.52228 TIMING: 1904800 CPU: 6095.92, 0.00315797/step Wall: 6095.92, 0.00315797/step, 2.71515 hours remaining, 233.171875 MB of memory in use. ENERGY: 1904800 4030.3963 20420.6149 14577.9146 252.2020 -203227.1352 2374.8014 0.0000 0.0000 52072.3136 -109498.8924 299.2603 -161571.2059 -109139.2246 299.1255 -74.3840 -42.7483 761086.5847 6.4778 6.4332 PRESSURE: 1905000 -1.40543 37.8826 18.1361 37.8826 -64.0439 -40.4557 18.1351 -40.4555 270.184 GPRESSURE: 1905000 9.52628 4.65732 68.2536 10.0322 -28.0007 -100.595 -9.62336 4.49904 300.689 PRESSAVG: 1905000 -17.4929 41.5727 -1.30108 41.5727 18.6775 -46.2001 -1.30115 -46.2001 -18.7668 GPRESSAVG: 1905000 -16.7067 39.7359 -1.86137 41.5767 19.246 -46.9095 -2.99379 -47.6643 -19.6922 TIMING: 1905000 CPU: 6096.56, 0.00317152/step Wall: 6096.56, 0.00317152/step, 2.72662 hours remaining, 233.171875 MB of memory in use. ENERGY: 1905000 4012.0882 20352.6728 14488.1532 238.3613 -202933.7928 2275.1016 0.0000 0.0000 52076.6197 -109490.7960 299.2850 -161567.4157 -109132.4234 299.0324 68.2448 94.0715 759887.3560 -5.8607 -5.7177 PRESSURE: 1905200 -218.452 1.48859 15.24 1.48884 -346.429 -247.602 15.2397 -247.602 286.902 GPRESSURE: 1905200 -161.685 -12.9374 91.6776 43.9161 -329.054 -268.381 -127.68 -164.567 300.302 PRESSAVG: 1905200 4.63301 -38.7699 -26.965 -38.7699 -32.5268 -14.2054 -26.965 -14.2054 14.6058 GPRESSAVG: 1905200 4.5876 -37.3835 -25.0607 -37.3393 -33.9492 -12.5436 -26.9454 -12.4348 15.5292 TIMING: 1905200 CPU: 6097.19, 0.00315725/step Wall: 6097.19, 0.00315725/step, 2.71418 hours remaining, 233.171875 MB of memory in use. ENERGY: 1905200 3959.8870 20505.8552 14521.3396 241.1476 -203351.8761 2626.3655 0.0000 0.0000 52114.5218 -109382.7594 299.5029 -161497.2812 -109022.6649 299.6198 -92.6596 -63.4790 761137.4491 -4.4293 -4.6108 PRESSURE: 1905400 -236.955 -46.5591 127.404 -46.5598 154.259 109.749 127.404 109.749 -124.955 GPRESSURE: 1905400 -182.788 -154.212 113.085 44.3945 100.186 57.817 249.373 203.661 -52.4415 PRESSAVG: 1905400 34.7316 -17.7489 -14.118 -17.7488 -39.4521 -17.4142 -14.118 -17.4144 -7.06279 GPRESSAVG: 1905400 35.1999 -15.7473 -15.0086 -19.2543 -38.1744 -18.9392 -12.7679 -18.6402 -8.79051 TIMING: 1905400 CPU: 6097.82, 0.00317621/step Wall: 6097.82, 0.00317621/step, 2.7303 hours remaining, 233.171875 MB of memory in use. ENERGY: 1905400 3977.7889 20478.4132 14437.6042 245.5216 -203538.2102 2800.0224 0.0000 0.0000 52114.8582 -109484.0017 299.5048 -161598.8599 -109110.8057 299.5889 -69.2170 -45.0144 760986.9194 -3.9277 -3.9216 PRESSURE: 1905600 -192.091 182.25 -222.567 182.251 -135.258 -246.379 -222.567 -246.379 -423.155 GPRESSURE: 1905600 -198.124 149.234 -360.145 0.953978 -43.04 -302.943 -77.5768 -177.275 -426.649 PRESSAVG: 1905600 -2.80714 12.3479 1.68698 12.3479 -18.1509 -8.39357 1.68698 -8.39353 -24.089 GPRESSAVG: 1905600 -2.54498 9.12989 1.40413 12.041 -18.8274 -8.07536 0.159506 -8.16152 -23.4161 TIMING: 1905600 CPU: 6098.46, 0.00318459/step Wall: 6098.46, 0.00318459/step, 2.73733 hours remaining, 233.171875 MB of memory in use. ENERGY: 1905600 4003.5021 20591.8513 14526.2720 242.3961 -203136.4835 2496.6375 0.0000 0.0000 51934.9837 -109340.8409 298.4711 -161275.8246 -108980.0139 299.5436 -250.1675 -222.6045 762158.4787 -15.0157 -14.9295 PRESSURE: 1905800 13.636 35.8743 -108.49 35.8744 -321.954 206.256 -108.49 206.256 280.03 GPRESSURE: 1905800 2.88021 61.2406 -118.982 -0.307519 -219.838 99.3362 -67.0229 219.382 271.654 PRESSAVG: 1905800 48.9672 -35.3909 -10.0041 -35.3909 -20.5053 -29.7212 -10.0041 -29.7212 8.62927 GPRESSAVG: 1905800 48.8199 -32.3486 -10.0119 -35.6398 -20.1249 -29.6856 -9.03414 -29.4557 8.58947 TIMING: 1905800 CPU: 6099.09, 0.00316575/step Wall: 6099.09, 0.00316575/step, 2.72096 hours remaining, 233.171875 MB of memory in use. ENERGY: 1905800 4012.6207 20443.3771 14504.8807 253.8523 -202968.4037 2467.7019 0.0000 0.0000 51989.3155 -109296.6554 298.7833 -161285.9709 -108936.9648 299.5861 -9.4295 18.2322 761059.0942 12.3637 12.4282 PRESSURE: 1906000 48.9344 100.516 98.992 100.516 -513.132 -139.173 98.9919 -139.172 395.094 GPRESSURE: 1906000 65.7548 137.327 126.568 35.1461 -488.751 -105.106 163.108 -17.1149 426.59 PRESSAVG: 1906000 53.1861 43.5134 22.6501 43.5133 -76.2334 -27.5789 22.6501 -27.5791 0.39878 GPRESSAVG: 1906000 52.4024 42.1914 23.1152 46.3295 -75.7702 -28.0261 22.1259 -28.0817 0.251125 TIMING: 1906000 CPU: 6099.73, 0.00319006/step Wall: 6099.73, 0.00319006/step, 2.74168 hours remaining, 233.171875 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: 1906000 3979.3313 20356.1018 14605.8228 260.7480 -202949.7567 2519.0454 0.0000 0.0000 51939.7116 -109288.9957 298.4982 -161228.7073 -108919.6955 299.5942 -23.0343 1.1979 762672.5498 -7.5495 -7.7056 PRESSURE: 1906200 202.32 -94.29 -166.385 -94.2903 282.625 75.6586 -166.384 75.6587 137.694 GPRESSURE: 1906200 315.945 -29.1965 -263.321 -47.8879 248.162 100.65 -219.659 -75.1277 138.101 PRESSAVG: 1906200 43.354 30.3948 19.7429 30.3948 18.4693 -23.26 19.7429 -23.2601 -11.2919 GPRESSAVG: 1906200 44.1605 29.9738 19.3234 30.0593 17.2207 -22.9143 20.3803 -25.6474 -10.8824 TIMING: 1906200 CPU: 6100.36, 0.00314449/step Wall: 6100.36, 0.0031445/step, 2.70234 hours remaining, 233.171875 MB of memory in use. ENERGY: 1906200 3935.3798 20588.0180 14554.6122 254.5132 -203167.0888 2579.4604 0.0000 0.0000 52064.6598 -109190.4454 299.2163 -161255.1052 -108837.3531 299.9238 207.5462 234.0693 761382.5139 16.8438 16.8329 PRESSURE: 1906400 31.6181 49.0371 -71.5129 49.0362 -243.295 245.549 -71.5133 245.549 -304.941 GPRESSURE: 1906400 14.3233 -76.2633 -117.591 -0.752097 -123.199 230.491 19.7964 226.383 -309.497 PRESSAVG: 1906400 40.5032 20.4289 -7.81486 20.429 -30.7715 18.2842 -7.81484 18.2841 -16.6964 GPRESSAVG: 1906400 40.2017 19.712 -7.84115 20.2423 -30.293 17.5084 -6.6293 20.6897 -16.5753 TIMING: 1906400 CPU: 6100.99, 0.00316665/step Wall: 6100.99, 0.00316665/step, 2.72121 hours remaining, 233.171875 MB of memory in use. ENERGY: 1906400 4057.3031 20531.0052 14481.8969 221.9420 -203132.4968 2485.7612 0.0000 0.0000 52271.8220 -109082.7663 300.4069 -161354.5884 -108717.6342 299.8825 -172.2057 -139.4576 763030.0056 -2.3215 -2.2222 PRESSURE: 1906600 117.908 -22.4961 -238.989 -22.4961 215.26 -87.7459 -238.989 -87.7456 300.063 GPRESSURE: 1906600 136.745 26.4788 -208.219 83.9536 213.762 -86.8416 -147.669 -108.455 377.086 PRESSAVG: 1906600 47.099 26.6701 -1.70661 26.6702 -25.9317 24.7787 -1.70661 24.7786 19.3512 GPRESSAVG: 1906600 45.9146 28.2251 -0.746752 25.2211 -25.166 26.3025 -0.402137 25.0711 19.5847 TIMING: 1906600 CPU: 6101.63, 0.00316613/step Wall: 6101.63, 0.00316613/step, 2.72058 hours remaining, 233.171875 MB of memory in use. ENERGY: 1906600 3986.7129 20617.5605 14530.2725 241.1175 -203409.6015 2640.9153 0.0000 0.0000 52104.5420 -109288.4808 299.4455 -161393.0229 -108933.4650 300.0432 211.0770 242.5311 761607.8060 13.5062 13.4444 PRESSURE: 1906800 -76.0506 -15.1267 -133.573 -15.1265 49.6641 -222.036 -133.573 -222.036 206.371 GPRESSURE: 1906800 -103.006 11.8104 -194.077 5.496 87.7516 -191.398 -106.79 -169.079 282.093 PRESSAVG: 1906800 -3.61026 10.9507 39.6675 10.9508 -12.0886 -32.0396 39.6675 -32.0397 11.694 GPRESSAVG: 1906800 -2.69755 9.61881 38.5883 11.8071 -13.753 -32.058 38.0809 -34.4797 12.6924 TIMING: 1906800 CPU: 6102.25, 0.00313935/step Wall: 6102.25, 0.00313935/step, 2.6974 hours remaining, 233.171875 MB of memory in use. ENERGY: 1906800 3938.6432 20545.3053 14520.2304 255.2732 -203485.9177 2728.5421 0.0000 0.0000 52018.4609 -109479.4625 298.9508 -161497.9235 -109118.0817 299.2403 59.9950 88.9461 760193.8512 -1.3349 -1.2527 PRESSURE: 1907000 116.242 -162.313 327.352 -162.313 -196.178 222.564 327.353 222.564 -201.895 GPRESSURE: 1907000 172.888 -11.8606 334.878 -75.9851 -134.589 171.094 292.336 243.286 -220.624 PRESSAVG: 1907000 77.6698 -28.6916 24.9867 -28.6916 -43.7722 29.8681 24.9868 29.8681 23.867 GPRESSAVG: 1907000 79.0481 -29.7304 24.1935 -30.9368 -43.5539 29.1943 26.7942 31.8597 22.7729 TIMING: 1907000 CPU: 6102.89, 0.00315759/step Wall: 6102.89, 0.00315759/step, 2.7129 hours remaining, 233.171875 MB of memory in use. ENERGY: 1907000 4109.5505 20351.8316 14499.4115 253.1402 -203293.5705 2660.8747 0.0000 0.0000 52104.0247 -109314.7373 299.4425 -161418.7620 -108951.5956 299.2892 -93.9438 -60.7749 761418.1358 19.2548 19.4224 PRESSURE: 1907200 -50.6149 -96.5795 199.168 -96.5787 144.327 -8.47112 199.168 -8.47253 7.73508 GPRESSURE: 1907200 11.357 -75.83 210.396 -107.783 89.3675 84.5008 122.056 155.374 73.3855 PRESSAVG: 1907200 0.254269 -8.46813 -9.46229 -8.46819 1.46248 24.7986 -9.4623 24.7985 -4.85105 GPRESSAVG: 1907200 -0.205836 -6.06348 -7.86064 -7.81703 0.855502 25.4374 -11.1799 23.949 -3.08655 TIMING: 1907200 CPU: 6103.51, 0.00314444/step Wall: 6103.51, 0.00314444/step, 2.70142 hours remaining, 233.171875 MB of memory in use. ENERGY: 1907200 3989.9306 20508.1616 14525.3019 228.5228 -203457.3915 2710.3996 0.0000 0.0000 52124.6028 -109370.4722 299.5608 -161495.0750 -109007.8150 298.9865 33.8157 58.0367 761938.7536 -1.0448 -0.8123 PRESSURE: 1907400 89.0887 -95.3235 120.895 -95.3236 -88.8362 -1.86692 120.895 -1.86698 72.6361 GPRESSURE: 1907400 87.6574 -153.354 80.5378 -35.2784 -8.54169 -92.1241 113.236 62.5407 67.9811 PRESSAVG: 1907400 7.83266 5.48668 -4.61848 5.4867 9.94605 31.186 -4.61844 31.186 -3.66153 GPRESSAVG: 1907400 7.70973 3.90992 -5.7989 6.65601 10.4397 31.861 -3.81224 32.5352 -3.78263 TIMING: 1907400 CPU: 6104.14, 0.00314028/step Wall: 6104.14, 0.00314028/step, 2.69767 hours remaining, 233.171875 MB of memory in use. ENERGY: 1907400 3958.8377 20454.3734 14532.0933 244.4103 -203706.0407 2664.5841 0.0000 0.0000 52304.3159 -109547.4259 300.5936 -161851.7418 -109180.3070 299.7539 24.2962 49.0323 761974.9551 4.7057 4.7889 PRESSURE: 1907600 360.209 -131.867 95.953 -131.867 265.016 101.109 95.9535 101.11 363.898 GPRESSURE: 1907600 354.594 -163.518 111.438 -88.9128 367.568 126.771 87.0471 103.598 376.431 PRESSAVG: 1907600 20.437 10.6954 40.0439 10.6954 -44.2709 4.16713 40.0439 4.16709 -28.123 GPRESSAVG: 1907600 20.6517 8.33004 41.6172 10.4426 -43.3306 3.90191 38.1821 3.67765 -28.8497 TIMING: 1907600 CPU: 6104.77, 0.00313973/step Wall: 6104.77, 0.00313973/step, 2.69703 hours remaining, 233.171875 MB of memory in use. ENERGY: 1907600 4008.0094 20487.7105 14530.5079 225.3253 -203254.5862 2552.6766 0.0000 0.0000 51867.8927 -109582.4639 298.0855 -161450.3567 -109228.6578 299.5480 329.7076 366.1977 761119.0051 -17.3190 -17.1762 PRESSURE: 1907800 34.296 -25.7123 189.227 -25.7133 1.14858 220.406 189.227 220.406 72.7477 GPRESSURE: 1907800 21.2191 83.0502 257.534 0.0241316 72.9 133.146 193.766 290.839 102.328 PRESSAVG: 1907800 -21.2889 -62.5146 58.3578 -62.5147 19.5707 -20.2602 58.3578 -20.2602 13.5912 GPRESSAVG: 1907800 -23.0806 -60.9042 57.6507 -63.3848 19.6081 -21.9907 59.663 -19.4763 15.024 TIMING: 1907800 CPU: 6105.4, 0.00314835/step Wall: 6105.4, 0.00314835/step, 2.70426 hours remaining, 233.171875 MB of memory in use. ENERGY: 1907800 3841.9103 20585.5729 14488.4601 269.5938 -203561.4106 2508.3949 0.0000 0.0000 52063.3791 -109804.0995 299.2090 -161867.4787 -109438.8847 298.9726 36.0641 65.4823 760848.4976 3.9576 3.8505 PRESSURE: 1908000 109.517 43.0245 -52.5246 43.0245 233.373 57.1679 -52.5245 57.1673 92.8742 GPRESSURE: 1908000 93.9088 -41.0286 -25.4678 93.5692 296.41 43.6819 -39.9608 -92.0778 138.617 PRESSAVG: 1908000 18.7872 18.282 21.4579 18.282 11.453 26.9196 21.4579 26.9197 -16.3364 GPRESSAVG: 1908000 19.2128 19.3961 20.9963 18.3347 12.8383 27.8141 21.089 25.468 -18.6218 TIMING: 1908000 CPU: 6106.03, 0.00314663/step Wall: 6106.03, 0.00314663/step, 2.7026 hours remaining, 233.171875 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: 1908000 3906.5744 20597.1930 14427.8645 233.0395 -203575.6348 2668.5993 0.0000 0.0000 51832.8428 -109909.5214 297.8841 -161742.3642 -109565.7425 298.6766 145.2545 176.3118 760879.2048 4.6346 4.4764 PRESSURE: 1908200 -244.191 64.107 185.84 64.1068 -191.227 7.96914 185.84 7.96826 125.939 GPRESSURE: 1908200 -244.571 42.4934 231.166 117.539 -163.488 31.2322 155.666 75.7787 177.519 PRESSAVG: 1908200 38.1826 8.18612 41.8376 8.18614 -32.3688 46.4327 41.8376 46.4326 -13.7427 GPRESSAVG: 1908200 39.2308 6.94096 42.2074 8.54386 -33.997 47.142 40.3453 47.685 -13.6159 TIMING: 1908200 CPU: 6106.66, 0.00316939/step Wall: 6106.66, 0.00316939/step, 2.72198 hours remaining, 233.171875 MB of memory in use. ENERGY: 1908200 3991.9317 20391.8016 14487.8645 237.9183 -203194.9682 2399.9189 0.0000 0.0000 52003.0560 -109682.4771 298.8623 -161685.5332 -109321.0552 298.5433 -103.1595 -76.8468 761383.8488 -2.6430 -2.7941 LDB: ============= START OF LOAD BALANCING ============== 6119.08 LDB: ============== END OF LOAD BALANCING =============== 6119.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6119.09 LDB: ============= START OF LOAD BALANCING ============== 6119.4 LDB: Largest compute 7038 load 0.033112 is 17.0% of average load 0.195339 LDB: Average compute 0.004396 is 2.3% of average load 0.195339 LDB: TIME 6119.4 LOAD: AVG 0.195339 MAX 0.221152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.203 MB LDB: TIME 6119.4 LOAD: AVG 0.195339 MAX 0.221152 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: TIME 6119.4 LOAD: AVG 0.195339 MAX 0.21482 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: ============== END OF LOAD BALANCING =============== 6119.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6119.41 PRESSURE: 1908400 45.8312 -226.255 100.409 -226.256 106.986 -10.045 100.41 -10.0457 -361.965 GPRESSURE: 1908400 132.349 -125.075 123.751 -227.316 151.288 -23.5755 -44.4888 -50.0843 -373.797 PRESSAVG: 1908400 2.44074 -23.1767 -11.8247 -23.1767 -21.2773 37.3275 -11.8246 37.3275 16.5056 GPRESSAVG: 1908400 1.5478 -23.5975 -11.5531 -22.7381 -21.3374 36.1926 -11.3972 36.0162 17.0063 TIMING: 1908400 CPU: 6107.3, 0.00320702/step Wall: 6107.3, 0.00320702/step, 2.75412 hours remaining, 232.328125 MB of memory in use. ENERGY: 1908400 3976.0646 20229.8760 14536.0356 219.9870 -203248.9118 2401.0587 0.0000 0.0000 52126.2955 -109759.5943 299.5705 -161885.8898 -109395.1747 298.7565 -69.7158 -30.0531 759619.5268 -0.7770 -0.9278 PRESSURE: 1908600 38.6826 40.7627 -94.1854 40.7636 -55.7539 -197.246 -94.1862 -197.247 31.6211 GPRESSURE: 1908600 141.392 41.038 -15.657 -2.85273 -35.579 -247.297 -105.959 -137.752 -16.0394 PRESSAVG: 1908600 49.8339 -24.2747 -14.8652 -24.2748 -23.7022 -12.5214 -14.8652 -12.5215 8.20228 GPRESSAVG: 1908600 49.2385 -25.0844 -15.149 -23.4011 -23.1025 -13.1376 -15.1238 -10.5757 7.79873 TIMING: 1908600 CPU: 6107.94, 0.00316765/step Wall: 6107.94, 0.00316765/step, 2.72013 hours remaining, 232.328125 MB of memory in use. ENERGY: 1908600 3938.7325 20432.7467 14456.7081 251.2082 -203774.1525 2615.8723 0.0000 0.0000 52403.0515 -109675.8332 301.1611 -162078.8847 -109316.3530 299.0956 4.8499 29.9247 759915.2390 11.4447 11.3116 PRESSURE: 1908800 126.821 78.3037 -47.3601 78.3039 -41.8276 115.662 -47.3602 115.661 103.695 GPRESSURE: 1908800 172.062 78.0157 -10.6697 53.7017 -11.3706 61.7488 11.0477 -32.9614 114.57 PRESSAVG: 1908800 44.7302 18.673 9.84659 18.673 -45.8236 -4.00232 9.84662 -4.00235 -28.0781 GPRESSAVG: 1908800 45.3948 18.195 10.0469 17.8273 -46.6669 -3.68325 10.2137 -4.3714 -27.878 TIMING: 1908800 CPU: 6108.57, 0.00317316/step Wall: 6108.57, 0.00317316/step, 2.72469 hours remaining, 232.328125 MB of memory in use. ENERGY: 1908800 4057.7502 20390.7439 14558.6772 253.4038 -203502.3772 2608.4632 0.0000 0.0000 52191.1733 -109442.1655 299.9434 -161633.3388 -109079.0423 299.6135 62.8960 91.7538 761493.0683 -9.7238 -9.7167 PRESSURE: 1909000 235.683 85.4819 -117.577 85.4819 15.9867 -27.2823 -117.577 -27.2836 -175.824 GPRESSURE: 1909000 226.927 114.387 -87.6386 82.6678 37.5676 33.6303 -220.753 59.6498 -70.1537 PRESSAVG: 1909000 -16.1309 3.94177 94.0153 3.94176 -22.716 34.1796 94.0153 34.1796 -2.0011 GPRESSAVG: 1909000 -15.148 5.07969 93.7365 3.09221 -23.4347 34.9126 94.5577 35.2323 -2.46789 TIMING: 1909000 CPU: 6109.2, 0.00315226/step Wall: 6109.2, 0.00315226/step, 2.70656 hours remaining, 232.328125 MB of memory in use. ENERGY: 1909000 3978.7179 20464.3346 14457.2529 222.8821 -203721.9092 2772.5013 0.0000 0.0000 52511.7943 -109314.4260 301.7860 -161826.2203 -108952.2282 299.6069 25.2818 64.7803 761565.1147 -13.6160 -13.6835 PRESSURE: 1909200 -266.432 313.926 -125.731 313.925 -489.808 -46.3204 -125.731 -46.3216 38.9775 GPRESSURE: 1909200 -127.457 284.303 -94.0852 234.159 -429.891 -46.4779 -107.38 -26.1272 -73.0344 PRESSAVG: 1909200 15.0624 12.1505 15.3873 12.1504 -58.249 -4.17895 15.3872 -4.17896 -9.17595 GPRESSAVG: 1909200 14.3273 13.0348 14.5606 11.5385 -57.7551 -3.88737 15.4502 -7.1857 -8.47817 TIMING: 1909200 CPU: 6109.83, 0.00315116/step Wall: 6109.83, 0.00315116/step, 2.70545 hours remaining, 232.328125 MB of memory in use. ENERGY: 1909200 3997.7356 20655.7861 14470.8369 246.3592 -202942.8906 2249.2744 0.0000 0.0000 52042.3095 -109280.5888 299.0879 -161322.8983 -108925.6551 300.0379 -239.0876 -210.1274 762315.3312 -17.4542 -17.3020 PRESSURE: 1909400 -17.676 -238.245 40.5166 -238.244 -402.92 25.9448 40.5179 25.9447 -59.7308 GPRESSURE: 1909400 31.9441 -140.61 64.9883 -154.068 -476.902 20.6033 5.64662 12.8631 40.2735 PRESSAVG: 1909400 4.46584 -9.94733 25.4077 -9.94729 -53.0737 -40.2329 25.4077 -40.2329 -16.4437 GPRESSAVG: 1909400 4.39122 -11.296 27.2389 -8.71453 -53.2018 -40.3246 23.9259 -41.0008 -16.3238 TIMING: 1909400 CPU: 6110.47, 0.00316844/step Wall: 6110.47, 0.00316844/step, 2.7201 hours remaining, 232.328125 MB of memory in use. ENERGY: 1909400 3979.0623 20469.5893 14408.9677 242.6894 -203171.9991 2458.1251 0.0000 0.0000 52160.2702 -109453.2951 299.7658 -161613.5653 -109084.7011 299.9342 -160.1089 -134.8949 761425.7922 -21.6838 -21.7115 PRESSURE: 1909600 390.68 75.103 190.515 75.1027 336.414 86.2618 190.516 86.2621 44.0815 GPRESSURE: 1909600 462.394 147.024 156.087 17.2637 350.401 70.5664 50.3756 121.672 34.7646 PRESSAVG: 1909600 36.4831 -64.9017 16.1272 -64.9017 -55.4102 -8.251 16.1272 -8.25101 22.7496 GPRESSAVG: 1909600 37.3787 -65.3303 16.393 -66.8056 -55.8248 -8.9993 16.4197 -5.99593 22.0787 TIMING: 1909600 CPU: 6111.09, 0.0031283/step Wall: 6111.09, 0.0031283/step, 2.68547 hours remaining, 232.328125 MB of memory in use. ENERGY: 1909600 4058.5653 20446.7027 14475.9320 253.8667 -203506.5275 2832.9738 0.0000 0.0000 51873.9030 -109564.5841 298.1200 -161438.4871 -109215.0685 298.8792 257.0587 282.5198 761190.6936 1.2742 1.2109 PRESSURE: 1909800 44.2088 -25.5858 -52.4959 -25.5864 -152.018 266.68 -52.4954 266.679 -417.131 GPRESSURE: 1909800 9.50978 -3.2057 -78.3301 -56.3416 -117.207 239.653 -49.2672 38.1993 -337.045 PRESSAVG: 1909800 47.2015 28.4974 6.7555 28.4975 -10.411 18.8317 6.75558 18.8317 -7.29165 GPRESSAVG: 1909800 46.073 28.7496 6.54726 29.9787 -9.60173 18.8848 6.15962 17.9515 -6.70151 TIMING: 1909800 CPU: 6111.72, 0.00314934/step Wall: 6111.72, 0.00314934/step, 2.70336 hours remaining, 232.328125 MB of memory in use. ENERGY: 1909800 4050.8928 20619.5870 14514.8230 233.7502 -203458.3807 2547.9581 0.0000 0.0000 52099.3454 -109392.0241 299.4157 -161491.3696 -109041.5628 299.3524 -174.9803 -148.2474 761015.1447 9.8329 9.9233 PRESSURE: 1910000 -114.716 -67.0247 67.6527 -67.0238 -312.535 103.919 67.6533 103.919 -167.382 GPRESSURE: 1910000 -27.3849 -87.2835 27.6956 -121.548 -316.535 28.0992 101.553 112.097 -153.039 PRESSAVG: 1910000 0.922407 -62.0254 21.0465 -62.0253 -53.0679 62.4894 21.0464 62.4895 -3.02296 GPRESSAVG: 1910000 1.56613 -60.952 19.2306 -62.5051 -53.1414 61.2093 23.4034 64.7738 -3.27112 TIMING: 1910000 CPU: 6112.35, 0.00315996/step Wall: 6112.35, 0.00315996/step, 2.7123 hours remaining, 232.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1910000 4010.4441 20435.4853 14541.8649 235.0936 -203144.6875 2623.1749 0.0000 0.0000 52006.5233 -109292.1013 298.8822 -161298.6246 -108926.4817 299.1617 -198.2114 -165.6531 763002.7765 -18.3895 -18.2821 PRESSURE: 1910200 263.694 172.134 155.606 172.133 -83.1582 4.41224 155.607 4.41267 21.184 GPRESSURE: 1910200 319.146 98.4141 49.7334 110.398 -55.5088 -2.10443 207.492 -7.6849 27.5462 PRESSAVG: 1910200 54.6291 -82.2943 47.1385 -82.2943 -13.2652 -13.7962 47.1385 -13.7961 31.5771 GPRESSAVG: 1910200 55.2277 -81.7112 47.5152 -83.4 -12.7084 -12.3045 44.8283 -16.2701 30.4393 TIMING: 1910200 CPU: 6112.99, 0.00315884/step Wall: 6112.99, 0.00315884/step, 2.71116 hours remaining, 232.328125 MB of memory in use. ENERGY: 1910200 3928.9339 20395.4287 14492.2361 236.1437 -203285.8485 2625.6150 0.0000 0.0000 52027.1830 -109580.3081 299.0009 -161607.4911 -109226.2586 299.2107 67.2399 97.0610 760876.9205 24.3137 24.3196 PRESSURE: 1910400 62.5834 -153.986 -100.956 -153.986 218.899 71.8294 -100.956 71.8295 124.215 GPRESSURE: 1910400 183.817 -134.861 14.6552 -58.075 153.597 58.5643 -150.965 139.136 142.106 PRESSAVG: 1910400 59.4391 -60.7347 30.6236 -60.7347 -13.0346 10.6126 30.6236 10.6126 26.232 GPRESSAVG: 1910400 59.7404 -60.7838 30.0658 -58.6433 -13.38 11.503 34.5365 9.29398 26.363 TIMING: 1910400 CPU: 6113.61, 0.0031366/step Wall: 6113.61, 0.0031366/step, 2.6919 hours remaining, 232.328125 MB of memory in use. ENERGY: 1910400 3934.0176 20545.5633 14498.8021 244.4735 -202662.8346 2319.0309 0.0000 0.0000 51816.5593 -109304.3877 297.7905 -161120.9471 -108934.8109 299.1130 135.2324 159.8398 761401.0520 24.2122 24.2411 PRESSURE: 1910600 -87.2226 3.32962 198.123 3.32936 137.269 -114.304 198.123 -114.305 -26.9909 GPRESSURE: 1910600 14.388 -104.186 144.115 -117.417 93.0983 -60.7429 187.946 -153.285 4.52926 PRESSAVG: 1910600 -14.8939 -78.0123 34.9502 -78.0123 -18.6509 37.0277 34.9502 37.0278 -7.86551 GPRESSAVG: 1910600 -16.0046 -79.3301 34.8887 -78.4554 -19.4834 37.6838 32.4784 39.7909 -5.64394 TIMING: 1910600 CPU: 6114.25, 0.00316158/step Wall: 6114.25, 0.00316158/step, 2.71317 hours remaining, 232.328125 MB of memory in use. ENERGY: 1910600 4004.4922 20525.6910 14539.7913 251.5892 -203332.6517 2631.1224 0.0000 0.0000 51959.4001 -109420.5654 298.6114 -161379.9655 -109054.3491 299.2138 7.6852 37.3385 760900.5098 -13.8035 -13.7107 PRESSURE: 1910800 42.9963 25.7052 140.16 25.705 -265.072 69.4786 140.159 69.4782 273.355 GPRESSURE: 1910800 54.3829 67.6518 66.9138 -100.012 -147.994 31.258 77.8635 92.6037 225.669 PRESSAVG: 1910800 -20.9428 -8.93668 20.9881 -8.93675 -10.3463 26.926 20.988 26.9261 2.23736 GPRESSAVG: 1910800 -19.6822 -7.67233 22.0563 -9.64965 -9.44315 25.6062 20.543 26.0766 0.43522 TIMING: 1910800 CPU: 6114.87, 0.00312876/step Wall: 6114.87, 0.00312876/step, 2.68482 hours remaining, 232.328125 MB of memory in use. ENERGY: 1910800 4039.2880 20474.2531 14471.3283 243.7028 -203212.3009 2487.9411 0.0000 0.0000 52068.2343 -109427.5533 299.2369 -161495.7876 -109069.6448 299.5076 17.0933 44.0195 761478.3103 -9.6839 -9.5634 PRESSURE: 1911000 265.123 -120.48 74.2003 -120.48 -1.08101 136.331 74.2003 136.331 -275.581 GPRESSURE: 1911000 275.758 -179.827 94.6014 -96.0227 -50.8863 170.619 113.672 197.022 -146.037 PRESSAVG: 1911000 59.5256 -15.4164 8.71323 -15.4164 -61.6556 68.777 8.7132 68.777 -17.3099 GPRESSAVG: 1911000 58.6401 -17.2991 6.97543 -14.7982 -60.7747 67.4709 9.17205 70.7968 -16.8999 TIMING: 1911000 CPU: 6115.5, 0.00315235/step Wall: 6115.5, 0.00315235/step, 2.70489 hours remaining, 232.328125 MB of memory in use. ENERGY: 1911000 4127.6513 20435.1412 14471.5566 218.1679 -203181.2391 2390.7403 0.0000 0.0000 52347.9972 -109189.9847 300.8447 -161537.9819 -108833.3112 300.0188 -3.8465 26.2785 759511.4085 -6.4800 -6.3448 PRESSURE: 1911200 21.0817 101.446 96.6371 101.445 -203.513 -93.5235 96.6369 -93.5236 -564.137 GPRESSURE: 1911200 -1.79874 25.2645 98.7957 54.836 -80.1653 -82.6739 107.843 -121.898 -574.761 PRESSAVG: 1911200 27.706 -20.5347 84.8937 -20.5347 -6.54127 67.2979 84.8937 67.2979 -24.6043 GPRESSAVG: 1911200 28.4012 -21.9419 87.6887 -19.5598 -6.45361 67.8998 85.4313 64.3108 -25.1275 TIMING: 1911200 CPU: 6116.13, 0.00315904/step Wall: 6116.13, 0.00315904/step, 2.71046 hours remaining, 232.328125 MB of memory in use. ENERGY: 1911200 3996.2169 20543.9488 14465.8564 242.2577 -202887.7494 2376.7274 0.0000 0.0000 52020.9423 -109241.7998 298.9651 -161262.7422 -108881.8695 299.7578 -248.8563 -218.9084 760102.9283 -1.1465 -1.0600 PRESSURE: 1911400 369.876 43.9235 185.995 43.9235 207.689 90.3839 185.995 90.384 -77.4814 GPRESSURE: 1911400 369.278 -0.0276238 119.459 14.997 244.958 73.7959 206.102 56.5866 -20.6606 PRESSAVG: 1911400 34.8263 -30.9853 53.6003 -30.9853 -10.415 -46.4451 53.6003 -46.4451 -5.43839 GPRESSAVG: 1911400 33.5478 -28.4684 53.0057 -31.8848 -9.99251 -45.014 50.0039 -46.4419 -4.54983 TIMING: 1911400 CPU: 6116.77, 0.00315715/step Wall: 6116.77, 0.00315715/step, 2.70866 hours remaining, 232.328125 MB of memory in use. ENERGY: 1911400 4003.0352 20412.3416 14493.7381 222.2001 -202924.5195 2444.6771 0.0000 0.0000 52029.8146 -109318.7128 299.0161 -161348.5274 -108957.6125 299.5084 166.6947 197.8584 760013.6792 6.3243 6.3352 PRESSURE: 1911600 60.3677 86.3585 -106.83 86.359 5.31924 -92.8513 -106.83 -92.8517 442.976 GPRESSURE: 1911600 143.938 112.356 -139.016 145.243 58.0102 -122.091 56.7249 -77.1256 414.896 PRESSAVG: 1911600 46.6872 -0.0934626 -28.8514 -0.0935139 -39.1304 59.593 -28.8514 59.593 2.44273 GPRESSAVG: 1911600 47.7568 -2.06282 -29.36 -0.604471 -39.8526 57.9489 -24.3271 60.8095 2.20134 TIMING: 1911600 CPU: 6117.4, 0.00316791/step Wall: 6117.4, 0.00316791/step, 2.71771 hours remaining, 232.328125 MB of memory in use. ENERGY: 1911600 3897.5464 20371.1789 14522.8581 263.9257 -203047.0370 2325.6578 0.0000 0.0000 52232.4371 -109433.4330 300.1805 -161665.8701 -109071.2688 299.5400 169.5542 205.6145 760572.1715 3.3332 3.3685 PRESSURE: 1911800 -160.402 -14.5693 -29.4372 -14.568 -48.7967 109.828 -29.4371 109.829 -153.259 GPRESSURE: 1911800 -133.903 45.0453 13.6785 -128.853 3.77708 96.952 -0.43804 -13.0461 -169.131 PRESSAVG: 1911800 78.6628 -19.175 8.11134 -19.1749 -54.6246 79.9924 8.11133 79.9923 14.3238 GPRESSAVG: 1911800 77.8908 -19.3807 9.59505 -18.2361 -53.6957 82.4494 5.40099 77.2657 14.0089 TIMING: 1911800 CPU: 6118.03, 0.00317368/step Wall: 6118.03, 0.00317368/step, 2.72249 hours remaining, 232.328125 MB of memory in use. ENERGY: 1911800 3985.8025 20521.2585 14560.0889 245.9688 -203387.5041 2476.8594 0.0000 0.0000 52083.0721 -109514.4538 299.3221 -161597.5260 -109159.5266 299.3934 -120.8192 -99.7525 759171.6190 12.7873 12.7347 PRESSURE: 1912000 114.464 22.381 94.9681 22.3811 281.171 24.6207 94.9669 24.6214 270.517 GPRESSURE: 1912000 309.498 21.7764 20.8186 38.3637 185.529 7.73758 119.687 98.425 268.128 PRESSAVG: 1912000 41.5894 11.1247 59.6593 11.1247 -39.9128 36.3215 59.6594 36.3215 -27.3368 GPRESSAVG: 1912000 43.4505 12.9814 58.7265 9.69678 -41.8738 35.2161 59.7085 38.7341 -27.0536 TIMING: 1912000 CPU: 6118.67, 0.00317/step Wall: 6118.67, 0.00317/step, 2.71915 hours remaining, 232.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1912000 3878.2455 20482.8419 14497.0009 228.0080 -203484.8927 2748.3205 0.0000 0.0000 51944.3173 -109706.1586 298.5247 -161650.4759 -109347.6851 298.9301 222.0502 254.3851 758409.7530 -8.5534 -8.4923 PRESSURE: 1912200 98.7822 48.0905 -90.6735 48.0906 418.194 -137.577 -90.6735 -137.576 111.931 GPRESSURE: 1912200 117.748 37.5176 -37.109 29.4398 484.63 -142.63 -107.949 -41.0293 122.891 PRESSAVG: 1912200 31.1098 -18.7955 12.2029 -18.7955 -44.0922 71.2813 12.203 71.2813 17.0514 GPRESSAVG: 1912200 31.3218 -18.8035 13.773 -17.567 -44.7195 71.7277 14.1114 71.7339 17.4724 TIMING: 1912200 CPU: 6119.3, 0.00315607/step Wall: 6119.3, 0.00315607/step, 2.70703 hours remaining, 232.328125 MB of memory in use. ENERGY: 1912200 3910.9632 20362.7854 14499.1645 243.8478 -203333.5328 2655.8522 0.0000 0.0000 52138.8407 -109522.0789 299.6426 -161660.9197 -109160.6014 299.1019 209.6356 241.7565 759645.8560 1.3563 1.3582 LDB: ============= START OF LOAD BALANCING ============== 6131.72 LDB: ============== END OF LOAD BALANCING =============== 6131.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6131.72 LDB: ============= START OF LOAD BALANCING ============== 6132.04 LDB: Largest compute 7069 load 0.034744 is 17.8% of average load 0.195544 LDB: Average compute 0.004388 is 2.2% of average load 0.195544 LDB: TIME 6132.04 LOAD: AVG 0.195544 MAX 0.2155 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.996 MB LDB: TIME 6132.04 LOAD: AVG 0.195544 MAX 0.2155 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.195 MB LDB: TIME 6132.04 LOAD: AVG 0.195544 MAX 0.2155 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.195 MB LDB: ============== END OF LOAD BALANCING =============== 6132.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6132.05 PRESSURE: 1912400 93.0022 -26.1762 -174.205 -26.1759 256.637 260.615 -174.205 260.615 9.54025 GPRESSURE: 1912400 111.552 -68.4694 -123.364 -144.597 203.607 321.927 -250.914 183.438 113.641 PRESSAVG: 1912400 3.91975 -7.79874 4.6551 -7.79872 -3.78281 2.64614 4.65508 2.64611 24.4836 GPRESSAVG: 1912400 3.19328 -5.26402 3.76262 -8.64134 -2.91871 2.71615 3.16023 1.4198 24.3215 TIMING: 1912400 CPU: 6119.94, 0.00322372/step Wall: 6119.94, 0.00322372/step, 2.76488 hours remaining, 232.140625 MB of memory in use. ENERGY: 1912400 3933.5181 20405.5630 14489.4056 229.7198 -203560.4380 2778.5851 0.0000 0.0000 51942.6271 -109781.0193 298.5150 -161723.6464 -109428.8831 298.8168 119.7266 142.9333 759316.0696 8.2068 8.1987 PRESSURE: 1912600 -135.568 -112.764 52.7411 -112.763 26.2391 334.222 52.7407 334.221 -115.029 GPRESSURE: 1912600 -39.7322 -30.7492 74.406 -67.0042 43.9801 292.585 153.871 349.88 -158.854 PRESSAVG: 1912600 12.5745 -9.67355 41.979 -9.6736 -33.503 17.3626 41.979 17.3626 20.4424 GPRESSAVG: 1912600 13.6631 -12.9294 40.4782 -9.32848 -32.8654 17.7869 44.2849 18.8861 19.1154 TIMING: 1912600 CPU: 6120.58, 0.00316627/step Wall: 6120.58, 0.00316627/step, 2.71543 hours remaining, 232.210938 MB of memory in use. ENERGY: 1912600 3977.0700 20548.7509 14547.7644 242.5214 -203566.8104 2599.5725 0.0000 0.0000 51809.2062 -109841.9250 297.7482 -161651.1312 -109482.9548 298.4175 -74.7860 -51.5353 761625.1830 -0.1620 -0.0290 PRESSURE: 1912800 394.731 55.2358 -81.4194 55.2352 191.001 -112.29 -81.419 -112.29 53.0705 GPRESSURE: 1912800 457.466 163.525 -106.86 41.4592 198.783 -55.0454 -14.1564 -51.665 70.4802 PRESSAVG: 1912800 48.9459 15.1733 -5.70499 15.1734 -61.8977 -13.5589 -5.70506 -13.5589 11.3868 GPRESSAVG: 1912800 49.2931 15.4371 -4.30645 15.3664 -62.2158 -13.409 -6.89815 -13.8898 11.782 TIMING: 1912800 CPU: 6121.21, 0.00316663/step Wall: 6121.21, 0.00316663/step, 2.71556 hours remaining, 232.210938 MB of memory in use. ENERGY: 1912800 3997.6234 20492.3160 14439.0946 254.2584 -203948.1044 2893.8550 0.0000 0.0000 52156.0693 -109714.8877 299.7416 -161870.9570 -109361.2277 298.6244 212.9343 242.2430 761143.0064 -0.5217 -0.3802 PRESSURE: 1913000 -328.213 -197.596 -99.384 -197.595 -38.7774 52.5202 -99.3838 52.5206 -371.307 GPRESSURE: 1913000 -247.195 -191.034 -24.4477 -150.015 -55.6702 115.166 -36.563 63.661 -349.436 PRESSAVG: 1913000 73.0672 -14.9014 22.5954 -14.9014 -79.6937 -9.99873 22.5954 -9.99878 6.5346 GPRESSAVG: 1913000 72.0081 -15.2909 23.0447 -13.3125 -80.2678 -10.4697 24.0509 -11.0589 8.07452 TIMING: 1913000 CPU: 6121.84, 0.00316597/step Wall: 6121.84, 0.00316597/step, 2.71482 hours remaining, 232.210938 MB of memory in use. ENERGY: 1913000 4074.1717 20402.3912 14472.2498 241.2694 -203111.9099 2452.4448 0.0000 0.0000 51734.0094 -109735.3734 297.3161 -161469.3828 -109386.5606 298.6561 -246.0993 -217.4336 761578.3634 -0.0306 -0.0617 PRESSURE: 1913200 33.4475 -64.6092 -158.96 -64.6099 19.4921 -43.9318 -158.96 -43.9322 -30.4169 GPRESSURE: 1913200 -43.9759 -73.7951 -146.544 -0.0941851 92.676 -8.8336 -125.786 4.0512 44.446 PRESSAVG: 1913200 52.1403 -67.1635 20.0456 -67.1635 -43.551 -6.9723 20.0455 -6.97234 24.9422 GPRESSAVG: 1913200 52.4756 -66.5329 20.5958 -68.4138 -43.2662 -7.27247 17.8891 -5.85091 24.2674 TIMING: 1913200 CPU: 6122.48, 0.00317242/step Wall: 6122.48, 0.00317242/step, 2.72017 hours remaining, 232.210938 MB of memory in use. ENERGY: 1913200 3994.7308 20372.5646 14502.3158 254.7042 -203090.8565 2417.3320 0.0000 0.0000 51927.5078 -109621.7013 298.4281 -161549.2091 -109257.7010 298.1420 7.5076 31.0487 761496.4761 11.1771 11.1589 PRESSURE: 1913400 -151.787 131.306 73.5599 131.307 -129.918 -167.561 73.5608 -167.563 -113.847 GPRESSURE: 1913400 -105.558 120.437 141.896 217.551 -118.815 -249.911 119.248 -75.9607 -63.8229 PRESSAVG: 1913400 48.4332 -25.0279 -2.57119 -25.028 -35.8057 39.2877 -2.57123 39.2877 11.7805 GPRESSAVG: 1913400 47.7963 -27.0194 -2.85037 -24.9406 -34.3647 40.6123 -1.00489 39.6158 10.6753 TIMING: 1913400 CPU: 6123.11, 0.0031586/step Wall: 6123.11, 0.0031586/step, 2.70815 hours remaining, 232.210938 MB of memory in use. ENERGY: 1913400 3989.1693 20509.9595 14461.2049 249.5532 -203403.7299 2517.5092 0.0000 0.0000 52217.6620 -109458.6718 300.0956 -161676.3338 -109091.9997 298.5999 -131.8509 -96.0653 759279.8571 8.1360 8.0356 PRESSURE: 1913600 -267.572 -204.722 -252.382 -204.722 -212.435 -44.544 -252.382 -44.5437 186.445 GPRESSURE: 1913600 -177.646 -169.714 -159.637 -159.384 -234.353 -41.4821 -205.494 140.168 206.54 PRESSAVG: 1913600 71.6981 -23.3472 -20.5444 -23.3472 -71.6101 42.5509 -20.5444 42.5509 -3.74093 GPRESSAVG: 1913600 72.3364 -21.0766 -21.647 -23.3543 -73.1728 41.6253 -21.2455 44.2519 -3.28568 TIMING: 1913600 CPU: 6123.74, 0.00317041/step Wall: 6123.74, 0.00317041/step, 2.71809 hours remaining, 232.210938 MB of memory in use. ENERGY: 1913600 4045.4347 20550.4981 14489.0369 241.3869 -202630.9346 2020.8336 0.0000 0.0000 51945.4690 -109338.2754 298.5313 -161283.7444 -108970.5377 299.4450 -97.8543 -68.4864 759659.2212 -1.2177 -1.3741 PRESSURE: 1913800 -68.7931 -94.0291 234.271 -94.0295 -288.74 -196.662 234.272 -196.663 -33.9951 GPRESSURE: 1913800 -17.4568 -43.5796 186.361 -122.722 -251.449 -245.549 156.925 -82.337 -34.979 PRESSAVG: 1913800 24.4284 -102.715 -34.788 -102.715 -45.8036 -18.7571 -34.7879 -18.7572 -11.2792 GPRESSAVG: 1913800 25.2337 -103.269 -34.4482 -101.937 -47.431 -19.0988 -34.3988 -21.0373 -10.6087 TIMING: 1913800 CPU: 6124.37, 0.00315195/step Wall: 6124.37, 0.00315195/step, 2.7021 hours remaining, 232.210938 MB of memory in use. ENERGY: 1913800 3986.7779 20468.8251 14464.3796 227.5617 -203158.1684 2286.8921 0.0000 0.0000 52150.4413 -109573.2907 299.7093 -161723.7320 -109203.2369 299.5305 -130.5093 -101.2951 761463.2184 -10.8848 -10.9353 PRESSURE: 1914000 -278.656 92.9631 225.776 92.9631 -380.63 -13.8326 225.775 -13.832 -27.8237 GPRESSURE: 1914000 -205.59 128.195 114.308 65.8847 -388.855 111.115 214.998 -27.4317 7.81753 PRESSAVG: 1914000 80.6057 -22.0543 17.3051 -22.0543 -78.314 -14.8606 17.3051 -14.8605 -16.5641 GPRESSAVG: 1914000 80.3929 -24.5866 18.0018 -22.0604 -77.1943 -14.0871 15.0748 -13.9484 -17.7887 TIMING: 1914000 CPU: 6125.01, 0.00316969/step Wall: 6125.01, 0.00316969/step, 2.71712 hours remaining, 232.210938 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: 1914000 4041.3590 20405.7505 14503.2443 264.2835 -202971.2599 2027.1394 0.0000 0.0000 51978.2382 -109751.2450 298.7196 -161729.4832 -109393.3567 298.7765 -229.0368 -195.5423 759517.3491 -4.7575 -4.8634 PRESSURE: 1914200 -127.592 -77.4728 -87.587 -77.4722 88.0563 10.0268 -87.5875 10.0267 -227.812 GPRESSURE: 1914200 -15.2453 -113.914 -74.567 -18.1021 109.358 -28.7559 -169.621 -81.0138 -257.104 PRESSAVG: 1914200 26.9727 -0.0190807 74.6007 -0.0191417 -39.4492 14.1583 74.6007 14.1583 2.21939 GPRESSAVG: 1914200 26.1567 2.64328 74.4382 -0.743786 -39.4978 12.2882 76.7596 13.3178 3.48127 TIMING: 1914200 CPU: 6125.64, 0.00317282/step Wall: 6125.64, 0.00317282/step, 2.71963 hours remaining, 232.210938 MB of memory in use. ENERGY: 1914200 3976.8123 20556.3623 14485.3084 230.4642 -203059.9830 2456.6123 0.0000 0.0000 51649.2365 -109705.1871 296.8289 -161354.4236 -109358.4372 298.1868 -89.1161 -54.3304 761338.0051 -3.4190 -3.2866 PRESSURE: 1914400 -345.017 -113.107 -17.7395 -113.106 -110.846 -7.62044 -17.7405 -7.62035 -85.222 GPRESSURE: 1914400 -253.738 -109.613 -31.8487 -72.2533 -105.189 -47.8478 53.1237 81.434 -86.9299 PRESSAVG: 1914400 -0.729195 34.1744 35.5308 34.1744 38.2697 -48.6621 35.5308 -48.6621 -9.24032 GPRESSAVG: 1914400 -0.489633 31.6174 34.4266 34.7963 38.9027 -47.3411 35.0391 -48.33 -9.87854 TIMING: 1914400 CPU: 6126.28, 0.00316846/step Wall: 6126.28, 0.00316846/step, 2.71572 hours remaining, 232.210938 MB of memory in use. ENERGY: 1914400 4000.4837 20455.9780 14515.3600 242.7056 -203161.6581 2423.1998 0.0000 0.0000 51980.6476 -109543.2834 298.7335 -161523.9310 -109186.1482 298.8183 -180.3618 -148.6191 760904.3411 9.4334 9.5115 PRESSURE: 1914600 362.339 115.58 79.5094 115.581 -272.207 -112.632 79.5087 -112.633 17.2488 GPRESSURE: 1914600 284.688 225.625 184.996 1.96869 -199.165 -179.861 18.4787 -69.0731 101.477 PRESSAVG: 1914600 22.2905 -10.5398 41.8348 -10.5398 -19.3388 -0.352888 41.8348 -0.35284 19.5347 GPRESSAVG: 1914600 20.9971 -10.0643 43.3389 -11.3872 -20.1657 -0.601885 42.5795 -0.219551 21.2112 TIMING: 1914600 CPU: 6126.91, 0.00314765/step Wall: 6126.91, 0.00314765/step, 2.69771 hours remaining, 232.210938 MB of memory in use. ENERGY: 1914600 4015.4529 20467.8210 14458.5621 245.5541 -203372.8885 2523.1513 0.0000 0.0000 52083.8216 -109578.5254 299.3264 -161662.3470 -109227.1997 298.9144 35.7939 62.3332 760638.7309 7.4955 7.3475 PRESSURE: 1914800 42.639 -288.335 209.731 -288.336 -73.9211 -211.695 209.731 -211.696 243.117 GPRESSURE: 1914800 129.462 -281.864 149.979 -299.053 -48.0724 -111.204 27.0027 -282.2 216.674 PRESSAVG: 1914800 64.4557 -52.0813 7.88731 -52.0813 -61.9302 20.6263 7.88728 20.6263 -3.45978 GPRESSAVG: 1914800 66.0763 -49.1763 7.37802 -52.9545 -62.3186 19.6038 5.13098 20.8676 -4.49694 TIMING: 1914800 CPU: 6127.54, 0.00315281/step Wall: 6127.54, 0.00315281/step, 2.70195 hours remaining, 232.539062 MB of memory in use. ENERGY: 1914800 3961.0699 20409.4424 14511.9771 228.7734 -203242.7588 2623.2560 0.0000 0.0000 51846.8878 -109661.3523 297.9648 -161508.2401 -109308.3670 299.1279 70.6117 99.3546 761024.3878 -0.3114 -0.2464 PRESSURE: 1915000 105.891 30.0249 -154.16 30.0256 -274.678 -156.082 -154.161 -156.083 353.456 GPRESSURE: 1915000 64.2303 -35.3503 -184.137 50.1077 -166.959 -93.346 -105.341 -165.726 385.76 PRESSAVG: 1915000 51.0682 -40.0219 -16.261 -40.0218 -24.0965 -45.0207 -16.261 -45.0208 14.8027 GPRESSAVG: 1915000 50.9902 -42.4974 -17.2699 -36.6075 -23.893 -45.072 -14.479 -45.5433 14.9238 TIMING: 1915000 CPU: 6128.16, 0.0031381/step Wall: 6128.16, 0.0031381/step, 2.68918 hours remaining, 232.539062 MB of memory in use. ENERGY: 1915000 3925.4622 20410.1562 14437.9696 241.8955 -203346.1250 2491.1787 0.0000 0.0000 51965.3726 -109874.0903 298.6457 -161839.4629 -109512.9658 298.8967 61.5565 94.3437 760969.4054 13.9248 14.0070 PRESSURE: 1915200 -109.137 -160.355 79.2863 -160.354 -184.979 -168.323 79.2865 -168.322 10.7845 GPRESSURE: 1915200 -118.358 -251.051 59.0417 -124.597 -76.2353 -204.267 118.542 -48.9737 -6.56933 PRESSAVG: 1915200 47.4138 -38.7733 25.6388 -38.7732 -30.532 -34.9114 25.6388 -34.9114 -0.685345 GPRESSAVG: 1915200 46.9561 -35.9808 24.6245 -41.8254 -30.722 -35.1873 24.6962 -34.6014 -0.470097 TIMING: 1915200 CPU: 6128.79, 0.00314319/step Wall: 6128.79, 0.00314319/step, 2.69336 hours remaining, 232.539062 MB of memory in use. ENERGY: 1915200 4070.5500 20312.8067 14470.9725 237.7007 -203272.8732 2588.1713 0.0000 0.0000 51870.2363 -109722.4357 298.0990 -161592.6720 -109353.1406 298.9505 -94.4440 -67.0541 759512.7237 5.3988 5.2546 PRESSURE: 1915400 -365.274 12.8746 134.533 12.8745 -145.911 -94.9594 134.533 -94.9591 243.495 GPRESSURE: 1915400 -184.084 -16.3256 126.686 12.8111 -189.162 -122.213 197.199 3.60544 192.285 PRESSAVG: 1915400 19.0258 -1.56039 29.2195 -1.56037 39.6202 -40.8706 29.2195 -40.8706 -1.54315 GPRESSAVG: 1915400 20.0276 -4.26827 29.5863 1.81459 40.3693 -39.6877 31.9707 -41.8922 -3.48205 TIMING: 1915400 CPU: 6129.42, 0.00314597/step Wall: 6129.42, 0.00314597/step, 2.69557 hours remaining, 232.539062 MB of memory in use. ENERGY: 1915400 3976.9059 20516.2944 14498.9946 266.3914 -203326.5875 2593.8565 0.0000 0.0000 51733.8669 -109740.2778 297.3152 -161474.1447 -109379.9115 298.5941 -89.2299 -60.3205 759411.9919 19.0343 18.9716 PRESSURE: 1915600 -185.185 -191.464 -210.177 -191.464 -19.4972 48.6551 -210.178 48.6554 -250.263 GPRESSURE: 1915600 -186.885 -189.788 -104.49 -165.77 50.9631 43.9176 -167.55 84.4782 -215.442 PRESSAVG: 1915600 60.1148 -8.4453 48.9656 -8.44529 -46.25 -42.4001 48.9656 -42.4001 -10.8075 GPRESSAVG: 1915600 59.5347 -8.57012 50.9467 -8.865 -46.5184 -42.5012 45.9084 -40.2865 -9.88171 TIMING: 1915600 CPU: 6130.05, 0.00315093/step Wall: 6130.05, 0.00315093/step, 2.69964 hours remaining, 232.539062 MB of memory in use. ENERGY: 1915600 3949.3612 20468.2584 14501.7060 240.2946 -203398.1095 2466.3386 0.0000 0.0000 52001.8481 -109770.3026 298.8553 -161772.1507 -109415.5575 298.4463 -151.6483 -117.1213 759373.7400 1.0191 1.0449 PRESSURE: 1915800 -285.521 34.8986 -144.054 34.8993 -6.69184 -10.6709 -144.054 -10.6708 433.777 GPRESSURE: 1915800 -227.249 50.503 -180.742 31.3385 -30.4164 -9.70737 -223.343 0.0430717 481.508 PRESSAVG: 1915800 68.5204 -50.7864 -1.19225 -50.7864 -19.2019 24.8295 -1.19231 24.8295 2.64186 GPRESSAVG: 1915800 69.6051 -50.058 -3.79749 -54.3267 -20.5369 24.6527 0.203711 22.9608 2.98515 TIMING: 1915800 CPU: 6130.68, 0.00316353/step Wall: 6130.68, 0.00316353/step, 2.71027 hours remaining, 232.539062 MB of memory in use. ENERGY: 1915800 3885.6656 20515.2897 14521.4103 250.3570 -203241.8089 2597.6721 0.0000 0.0000 51862.7374 -109608.6768 298.0559 -161471.4142 -109239.6787 298.6326 47.1882 74.6144 761550.1924 17.3201 17.3511 PRESSURE: 1916000 -246.945 54.9242 72.5345 54.9239 -43.0866 142.274 72.535 142.275 145.426 GPRESSURE: 1916000 -235.431 48.8584 154.584 98.4747 26.4183 180.91 -2.00841 86.3249 150.884 PRESSAVG: 1916000 -28.3869 -46.661 -27.4069 -46.661 2.84108 -40.9071 -27.4069 -40.9071 24.7932 GPRESSAVG: 1916000 -29.1537 -46.2691 -26.1473 -45.9572 4.64975 -41.9155 -28.6848 -40.6311 24.0128 TIMING: 1916000 CPU: 6131.31, 0.0031358/step Wall: 6131.31, 0.0031358/step, 2.68634 hours remaining, 232.539062 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: 1916000 3953.0007 20479.6842 14391.3573 263.5761 -203054.1515 2217.7644 0.0000 0.0000 52167.2678 -109581.5010 299.8060 -161748.7688 -109219.4054 299.0439 -48.2017 -19.3764 761334.0659 -0.2509 -0.1637 PRESSURE: 1916200 -184.757 80.3379 -122.253 80.337 116.79 39.647 -122.253 39.6473 -19.6372 GPRESSURE: 1916200 -123.231 60.3326 -221.657 67.6656 59.2993 48.0835 -131.308 121.323 51.0006 PRESSAVG: 1916200 -1.54171 -20.7385 39.303 -20.7386 6.96347 -23.8017 39.303 -23.8017 19.5629 GPRESSAVG: 1916200 -2.1318 -21.3354 41.1265 -19.9094 6.92446 -23.7662 39.5972 -23.202 20.4968 TIMING: 1916200 CPU: 6131.94, 0.00315184/step Wall: 6131.94, 0.00315183/step, 2.6999 hours remaining, 232.539062 MB of memory in use. ENERGY: 1916200 3968.1294 20468.5434 14403.0798 246.3322 -203200.5678 2558.3355 0.0000 0.0000 51926.6511 -109629.4964 298.4232 -161556.1475 -109273.2061 298.6854 -29.2013 -4.3104 761928.3238 8.3282 8.4298 LDB: ============= START OF LOAD BALANCING ============== 6144.36 LDB: ============== END OF LOAD BALANCING =============== 6144.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6144.37 LDB: ============= START OF LOAD BALANCING ============== 6144.68 LDB: Largest compute 7069 load 0.032433 is 16.6% of average load 0.195525 LDB: Average compute 0.004391 is 2.2% of average load 0.195525 LDB: TIME 6144.69 LOAD: AVG 0.195525 MAX 0.21675 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 6144.69 LOAD: AVG 0.195525 MAX 0.21675 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: TIME 6144.69 LOAD: AVG 0.195525 MAX 0.21675 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: ============== END OF LOAD BALANCING =============== 6144.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6144.69 PRESSURE: 1916400 138.608 -258.797 -93.4091 -258.797 -58.5783 -44.3299 -93.4093 -44.3294 367.736 GPRESSURE: 1916400 154.461 -216.584 -101.158 -355.568 -20.5781 -29.6981 -68.1113 -110.737 402.111 PRESSAVG: 1916400 34.4733 -26.1322 13.3908 -26.1321 -24.9228 -10.8759 13.3908 -10.8759 -26.2129 GPRESSAVG: 1916400 36.0181 -27.4569 11.3458 -26.2478 -25.8859 -11.6039 13.2186 -9.29466 -26.3618 TIMING: 1916400 CPU: 6132.59, 0.00323071/step Wall: 6132.59, 0.00323071/step, 2.76728 hours remaining, 231.367188 MB of memory in use. ENERGY: 1916400 3954.3678 20416.0614 14430.0257 273.6594 -203111.8504 2603.3439 0.0000 0.0000 51831.3231 -109603.0691 297.8753 -161434.3923 -109242.4623 299.0997 149.2552 178.6645 762181.9758 -5.5541 -5.4099 PRESSURE: 1916600 110.071 -86.3002 64.286 -86.3013 -83.4706 104.185 64.2859 104.185 -249.222 GPRESSURE: 1916600 225.903 -217.973 21.5832 92.5006 -120.641 173.184 136.768 55.517 -254.506 PRESSAVG: 1916600 11.2067 -9.00071 10.0815 -9.00071 -2.91646 29.6908 10.0815 29.6908 15.3237 GPRESSAVG: 1916600 11.1237 -7.22484 12.888 -9.42363 -2.25534 31.0899 7.53849 27.2755 14.6543 TIMING: 1916600 CPU: 6133.22, 0.00317607/step Wall: 6133.22, 0.00317607/step, 2.7203 hours remaining, 231.566406 MB of memory in use. ENERGY: 1916600 4011.3922 20389.1069 14501.6508 253.0942 -203370.7203 2642.1422 0.0000 0.0000 52042.0530 -109531.2810 299.0864 -161573.3340 -109166.4115 298.8587 -74.2070 -49.7480 762369.0835 7.8713 7.8409 PRESSURE: 1916800 259.099 37.4418 60.6191 37.443 -127.464 -28.7115 60.6187 -28.7114 162.093 GPRESSURE: 1916800 264.727 8.27738 84.4315 110.867 -71.3729 -80.3747 -54.9963 13.2922 204.09 PRESSAVG: 1916800 5.3598 -43.4932 1.22505 -43.4931 -28.9962 -31.0697 1.22514 -31.0697 -3.20453 GPRESSAVG: 1916800 5.16945 -44.1817 0.227913 -43.6803 -30.2046 -30.4473 2.82357 -29.3659 -1.74222 TIMING: 1916800 CPU: 6133.86, 0.00316336/step Wall: 6133.86, 0.00316336/step, 2.70924 hours remaining, 231.566406 MB of memory in use. ENERGY: 1916800 3939.4047 20525.0115 14468.6783 241.2143 -203274.1063 2545.6746 0.0000 0.0000 52018.6670 -109535.4560 298.9520 -161554.1229 -109181.0334 298.6420 97.9091 132.4816 762223.6398 -8.9470 -8.9258 PRESSURE: 1917000 -628.38 172.729 -0.61087 172.728 -117.323 -8.33947 -0.61109 -8.33909 -152.971 GPRESSURE: 1917000 -549.256 80.4625 7.50861 271.18 -63.9514 17.5118 5.1239 -48.2004 -197.561 PRESSAVG: 1917000 63.8826 -49.2662 36.0909 -49.2661 -25.7974 -25.2154 36.0909 -25.2154 25.2442 GPRESSAVG: 1917000 64.5582 -49.8179 35.5049 -47.9793 -24.8798 -25.3144 36.8356 -27.0905 23.5603 TIMING: 1917000 CPU: 6134.48, 0.00313487/step Wall: 6134.48, 0.00313487/step, 2.68467 hours remaining, 231.566406 MB of memory in use. ENERGY: 1917000 4035.2328 20528.3471 14567.0526 235.6304 -203298.7373 2461.3558 0.0000 0.0000 52047.4220 -109423.6966 299.1172 -161471.1186 -109054.8763 299.8372 -299.5584 -270.2560 761486.1773 21.1098 21.0795 PRESSURE: 1917200 254.881 -17.0341 32.8579 -17.0345 -231.059 -45.2794 32.8575 -45.2791 504.085 GPRESSURE: 1917200 183.603 -42.0977 -25.9864 -3.36431 -137.613 7.18452 131.617 -14.277 550.016 PRESSAVG: 1917200 38.6018 -24.0101 29.0646 -24.0101 -47.3687 -9.76059 29.0646 -9.76064 -18.6813 GPRESSAVG: 1917200 37.9968 -22.1498 27.9053 -25.3422 -47.6255 -10.0303 29.3517 -9.35543 -18.0811 TIMING: 1917200 CPU: 6135.11, 0.00314452/step Wall: 6135.11, 0.00314452/step, 2.69275 hours remaining, 231.566406 MB of memory in use. ENERGY: 1917200 3980.3027 20368.0745 14535.7000 229.5074 -203303.9213 2654.4373 0.0000 0.0000 52020.7015 -109515.1979 298.9637 -161535.8994 -109158.8348 299.2637 175.9686 198.6686 761182.1529 -9.1494 -9.2366 PRESSURE: 1917400 10.6275 387.314 -84.3527 387.315 -28.1071 -89.6908 -84.352 -89.6907 -282.912 GPRESSURE: 1917400 111.236 206.233 -94.8105 237.32 -42.2074 -69.8166 -158.806 -53.7099 -292.566 PRESSAVG: 1917400 54.0648 -16.682 -31.8268 -16.682 -60.4724 -10.0914 -31.8268 -10.0913 -6.70633 GPRESSAVG: 1917400 52.7906 -16.5124 -32.4331 -16.6203 -59.2436 -9.46576 -32.5517 -9.96241 -7.04707 TIMING: 1917400 CPU: 6135.74, 0.00312484/step Wall: 6135.74, 0.00312484/step, 2.67573 hours remaining, 231.566406 MB of memory in use. ENERGY: 1917400 4049.1816 20404.5203 14490.4586 242.7658 -203233.8891 2523.4777 0.0000 0.0000 52108.4099 -109415.0753 299.4677 -161523.4852 -109053.6438 299.5100 -100.1304 -74.5125 761149.6949 -4.3713 -4.5000 PRESSURE: 1917600 260.458 318.12 -189.929 318.12 -14.3681 -10.6611 -189.929 -10.6606 -158.725 GPRESSURE: 1917600 327.78 271.325 -174.835 210.371 0.143278 29.8082 -172.354 80.7368 -148.413 PRESSAVG: 1917600 21.7067 38.1818 20.3921 38.1818 -45.9701 -36.3843 20.3921 -36.3844 -1.14207 GPRESSAVG: 1917600 22.9757 34.5455 21.832 37.5699 -47.0308 -35.338 21.8648 -36.4864 -0.891168 TIMING: 1917600 CPU: 6136.37, 0.00313963/step Wall: 6136.37, 0.00313963/step, 2.68822 hours remaining, 231.566406 MB of memory in use. ENERGY: 1917600 4018.1684 20170.1841 14441.6822 258.6989 -203499.1573 2772.6644 0.0000 0.0000 52207.1245 -109630.6347 300.0351 -161837.7592 -109261.2915 299.5166 29.1214 59.8367 758629.6683 -8.4685 -8.3154 PRESSURE: 1917800 -274.697 -54.3415 -64.2892 -54.3419 -253.651 -70.1702 -64.2897 -70.1708 -135.248 GPRESSURE: 1917800 -205.962 -148.996 -98.7088 -71.1549 -226.067 -102.365 -91.109 -40.9558 -153.781 PRESSAVG: 1917800 63.8073 -38.5096 -0.60896 -38.5096 -40.1028 -22.4141 -0.608902 -22.4141 4.13017 GPRESSAVG: 1917800 63.9755 -37.6144 -0.858463 -37.1112 -38.8551 -22.701 -1.00181 -22.4104 2.96827 TIMING: 1917800 CPU: 6136.99, 0.00312856/step Wall: 6136.99, 0.00312856/step, 2.67856 hours remaining, 231.566406 MB of memory in use. ENERGY: 1917800 4020.0171 20417.7979 14545.0349 254.1372 -203065.4902 2094.9848 0.0000 0.0000 51978.3542 -109755.1641 298.7203 -161733.5183 -109391.0868 298.4651 -221.1987 -195.2699 761656.5094 9.2782 9.3629 PRESSURE: 1918000 330.688 24.3212 155.322 24.3204 -76.8854 227.672 155.322 227.671 333.734 GPRESSURE: 1918000 333.609 -57.2629 198.244 -17.3625 33.5208 175.949 143.091 284.999 300.654 PRESSAVG: 1918000 13.9385 -11.1776 -31.189 -11.1776 -14.6518 53.6581 -31.189 53.6581 5.72592 GPRESSAVG: 1918000 13.6316 -9.59715 -31.432 -15.217 -14.6779 52.9158 -31.7178 52.7617 5.6567 TIMING: 1918000 CPU: 6137.62, 0.00313022/step Wall: 6137.62, 0.00313022/step, 2.67982 hours remaining, 231.566406 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: 1918000 4047.4681 20429.7619 14479.4255 254.4271 -203224.0912 2439.4301 0.0000 0.0000 51956.7125 -109616.8660 298.5959 -161573.5785 -109270.1910 298.9665 195.8455 222.5945 760269.3639 1.6709 1.5368 PRESSURE: 1918200 -260.729 128.27 -141.761 128.269 -93.421 19.766 -141.76 19.765 -184.055 GPRESSURE: 1918200 -248.493 55.1213 -78.466 97.904 -86.9083 33.9445 -65.6387 61.2446 -117.865 PRESSAVG: 1918200 39.4691 -6.19945 -52.9013 -6.19941 -9.49771 13.9095 -52.9014 13.9095 -2.78569 GPRESSAVG: 1918200 40.1772 -5.7356 -51.8952 -4.30433 -11.0148 12.3156 -51.5972 17.1117 -1.93775 TIMING: 1918200 CPU: 6138.24, 0.00312179/step Wall: 6138.24, 0.00312179/step, 2.67242 hours remaining, 231.566406 MB of memory in use. ENERGY: 1918200 3980.9649 20400.7861 14529.7545 244.1968 -203335.3100 2587.8325 0.0000 0.0000 51842.6171 -109749.1581 297.9402 -161591.7751 -109378.6092 298.6745 -179.4018 -151.0889 759990.4114 9.0619 9.0749 PRESSURE: 1918400 131.681 90.0095 51.6896 90.0094 48.9171 -333.661 51.6902 -333.662 322.506 GPRESSURE: 1918400 145.965 49.8907 -65.1722 24.4281 144.576 -334.539 -15.7322 -214.336 308.683 PRESSAVG: 1918400 6.30392 -9.23157 50.0055 -9.23158 2.97648 36.9871 50.0054 36.9871 -3.41806 GPRESSAVG: 1918400 4.60937 -9.06976 49.4727 -7.4102 4.82671 40.1395 47.1089 34.2281 -3.52853 TIMING: 1918400 CPU: 6138.86, 0.00311024/step Wall: 6138.86, 0.00311024/step, 2.66236 hours remaining, 231.566406 MB of memory in use. ENERGY: 1918400 3947.3591 20556.3207 14397.6635 242.3550 -203795.8003 2623.1232 0.0000 0.0000 52279.2814 -109749.6975 300.4497 -162028.9788 -109379.8249 298.9394 167.7012 199.7416 759643.1548 1.9541 1.9692 PRESSURE: 1918600 -85.4132 -9.55864 157.134 -9.55806 116.202 -117.163 157.134 -117.164 -40.8054 GPRESSURE: 1918600 -15.2717 -0.0305486 87.0629 107.11 128.298 -109.053 296.126 -8.86589 -24.4696 PRESSAVG: 1918600 74.1944 2.9864 -21.0791 2.98637 -27.8857 46.8567 -21.0791 46.8567 19.431 GPRESSAVG: 1918600 75.0658 -0.156255 -22.482 2.72131 -28.8253 45.3588 -17.3119 48.0466 19.3183 TIMING: 1918600 CPU: 6139.49, 0.00312334/step Wall: 6139.49, 0.00312334/step, 2.67341 hours remaining, 231.566406 MB of memory in use. ENERGY: 1918600 4050.2828 20534.0152 14488.6711 241.0062 -203512.8865 2587.5290 0.0000 0.0000 51947.5817 -109663.8005 298.5435 -161611.3822 -109309.9765 299.1090 -3.3390 29.5190 758007.1278 21.9132 21.8529 PRESSURE: 1918800 -140.494 -145.645 59.1051 -145.646 -161.67 -159.835 59.1059 -159.835 -218.646 GPRESSURE: 1918800 -137.257 -166.378 72.7736 -145.554 -124.423 -115.2 -30.7401 -166.487 -180.931 PRESSAVG: 1918800 31.5696 8.19795 19.2301 8.19808 15.0817 8.51208 19.2301 8.51207 -0.514621 GPRESSAVG: 1918800 31.6288 10.6584 19.6203 5.51286 14.8926 7.57689 18.4517 8.22283 0.221654 TIMING: 1918800 CPU: 6140.11, 0.00313474/step Wall: 6140.11, 0.00313474/step, 2.68299 hours remaining, 231.566406 MB of memory in use. ENERGY: 1918800 4015.2901 20480.7776 14504.3696 262.0788 -203239.9343 2373.5250 0.0000 0.0000 52161.7121 -109442.1811 299.7741 -161603.8932 -109074.3222 299.7346 -173.6033 -147.5366 760573.5742 15.3789 15.5810 PRESSURE: 1919000 311.472 174.559 16.2991 174.559 356.437 298.516 16.2993 298.516 56.1659 GPRESSURE: 1919000 377.055 165.276 -29.2023 34.7174 320.885 307.438 -62.8457 365.616 109.827 PRESSAVG: 1919000 66.446 -30.4099 -8.69808 -30.4098 -36.476 27.8948 -8.69811 27.8949 3.429 GPRESSAVG: 1919000 67.831 -30.5012 -8.12002 -29.2291 -37.4149 28.7801 -8.40592 27.929 3.36562 TIMING: 1919000 CPU: 6140.74, 0.00313217/step Wall: 6140.74, 0.00313217/step, 2.68062 hours remaining, 231.566406 MB of memory in use. ENERGY: 1919000 4021.7110 20483.1281 14528.2576 238.6916 -203785.6760 2777.8353 0.0000 0.0000 52114.8435 -109621.2088 299.5047 -161736.0523 -109250.4949 299.7055 241.3584 269.2555 758022.1069 11.1330 11.2606 PRESSURE: 1919200 109.517 -143.848 101.248 -143.847 -54.021 -128.987 101.247 -128.987 -271.832 GPRESSURE: 1919200 214.743 -144.123 114.297 -134.014 -37.4136 -103.215 116.318 -111.543 -290.004 PRESSAVG: 1919200 87.1818 25.5954 -22.2725 25.5954 -50.1524 70.483 -22.2725 70.483 15.7581 GPRESSAVG: 1919200 85.9175 25.2569 -22.8205 25.8234 -48.3914 69.4872 -23.0879 70.3844 15.3 TIMING: 1919200 CPU: 6141.37, 0.0031343/step Wall: 6141.37, 0.0031343/step, 2.68227 hours remaining, 231.566406 MB of memory in use. ENERGY: 1919200 4008.5203 20557.6685 14489.1744 244.5870 -203638.6734 2594.3876 0.0000 0.0000 52026.9170 -109717.4186 298.9994 -161744.3356 -109366.2631 299.1689 -72.1120 -37.5583 759312.3151 17.5958 17.6087 PRESSURE: 1919400 413.818 47.8199 40.4716 47.8197 332.939 336.192 40.471 336.191 37.4803 GPRESSURE: 1919400 434.736 63.8483 -60.665 83.6684 317.947 263.744 -19.9809 303.961 133.182 PRESSAVG: 1919400 -6.1154 -10.7153 -36.7524 -10.7153 -0.700405 19.476 -36.7524 19.4759 7.26228 GPRESSAVG: 1919400 -6.38011 -10.1739 -36.5188 -9.91523 -0.626955 20.0312 -34.5808 20.7493 7.47261 TIMING: 1919400 CPU: 6141.99, 0.00310545/step Wall: 6141.99, 0.00310545/step, 2.6574 hours remaining, 231.566406 MB of memory in use. ENERGY: 1919400 4010.6797 20352.4451 14501.6962 247.1941 -203697.5067 2737.9388 0.0000 0.0000 51922.9500 -109924.6028 298.4019 -161847.5528 -109553.8682 297.9799 261.4126 295.2884 760414.4560 0.1488 0.1552 PRESSURE: 1919600 14.9956 -159.295 -16.2914 -159.295 -170.182 -18.0503 -16.292 -18.051 -272.848 GPRESSURE: 1919600 138.255 -36.7768 8.89667 -151.696 -255.18 -21.5617 -88.3899 110.922 -220.399 PRESSAVG: 1919600 104.498 -10.4243 19.3286 -10.4242 -83.8049 6.12808 19.3285 6.12817 5.57467 GPRESSAVG: 1919600 105.499 -9.91061 19.4069 -9.1976 -85.8748 5.50129 17.172 5.23336 6.38096 TIMING: 1919600 CPU: 6142.62, 0.00313388/step Wall: 6142.62, 0.00313388/step, 2.68156 hours remaining, 231.566406 MB of memory in use. ENERGY: 1919600 4008.4414 20463.0693 14441.2970 246.6534 -203318.3224 2220.6172 0.0000 0.0000 51957.7310 -109980.5130 298.6018 -161938.2441 -109619.5762 298.6388 -142.6781 -112.4412 760702.5100 8.7560 8.6684 PRESSURE: 1919800 286.265 98.5042 65.4279 98.5046 127.608 -196.657 65.4295 -196.655 443.511 GPRESSURE: 1919800 340.443 97.4218 20.3716 -7.18885 207.193 -183.853 -65.8153 -132.603 396.91 PRESSAVG: 1919800 30.426 22.1336 -21.1749 22.1337 -25.6699 -20.2252 -21.1749 -20.2252 6.02545 GPRESSAVG: 1919800 30.9489 19.5865 -20.0331 20.2758 -25.4131 -17.4119 -21.4803 -19.5153 5.20599 TIMING: 1919800 CPU: 6143.24, 0.00313463/step Wall: 6143.24, 0.00313463/step, 2.68202 hours remaining, 231.566406 MB of memory in use. ENERGY: 1919800 4008.6398 20691.0430 14549.9406 247.1025 -203615.2209 2645.5805 0.0000 0.0000 51667.6059 -109805.3085 296.9344 -161472.9144 -109457.1826 298.8441 285.7946 314.8490 759777.3670 3.5939 3.5806 PRESSURE: 1920000 -366.214 -69.3429 88.9132 -69.3439 155.668 29.939 88.913 29.9393 -220.941 GPRESSURE: 1920000 -204.085 -35.1874 104.994 -114.05 82.4097 17.2051 87.0788 3.72537 -221.677 PRESSAVG: 1920000 76.1019 -25.9507 18.8146 -25.9507 -89.9274 29.4515 18.8146 29.4515 -17.8896 GPRESSAVG: 1920000 75.4784 -28.094 16.1667 -24.1042 -88.2922 25.92 18.7302 28.9492 -19.4354 TIMING: 1920000 CPU: 6143.87, 0.00313508/step Wall: 6143.87, 0.00313508/step, 2.68223 hours remaining, 231.566406 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: 1920000 3965.7019 20580.1722 14465.1178 253.0483 -203220.6997 2259.4697 0.0000 0.0000 52024.3949 -109672.7949 298.9849 -161697.1898 -109312.8780 298.6640 -143.8289 -114.4506 761054.0349 -10.5717 -10.7497 PRESSURE: 1920200 -383.511 14.303 42.9687 14.3029 -160.36 20.3139 42.9685 20.3138 98.1484 GPRESSURE: 1920200 -289.599 -45.8074 22.295 27.7772 -67.9237 -120.6 -11.7926 86.3994 17.4044 PRESSAVG: 1920200 2.46719 -68.0116 25.0102 -68.0116 -15.5223 -13.67 25.0101 -13.6699 28.0749 GPRESSAVG: 1920200 1.88753 -65.3536 26.439 -69.8099 -16.045 -14.0608 26.2768 -13.9728 29.1044 TIMING: 1920200 CPU: 6144.5, 0.00314228/step Wall: 6144.5, 0.00314228/step, 2.68822 hours remaining, 231.566406 MB of memory in use. ENERGY: 1920200 4001.7698 20586.5794 14431.4270 266.7101 -203537.5855 2525.6517 0.0000 0.0000 52121.7262 -109603.7213 299.5443 -161725.4475 -109239.4610 299.0980 -148.5744 -113.3727 762891.6472 5.0066 4.9823 LDB: ============= START OF LOAD BALANCING ============== 6156.92 LDB: ============== END OF LOAD BALANCING =============== 6156.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6156.92 LDB: ============= START OF LOAD BALANCING ============== 6157.23 LDB: Largest compute 7072 load 0.033411 is 17.1% of average load 0.195434 LDB: Average compute 0.004379 is 2.2% of average load 0.195434 LDB: TIME 6157.24 LOAD: AVG 0.195434 MAX 0.217394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.27 MB LDB: TIME 6157.24 LOAD: AVG 0.195434 MAX 0.217394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.473 MB LDB: TIME 6157.24 LOAD: AVG 0.195434 MAX 0.217394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.473 MB LDB: ============== END OF LOAD BALANCING =============== 6157.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6157.25 PRESSURE: 1920400 168.677 -77.4529 233.602 -77.4531 -25.5365 -14.1784 233.602 -14.1779 -441.854 GPRESSURE: 1920400 199.803 -107.756 101.02 109.097 8.59959 37.3234 258.572 -7.47026 -406.694 PRESSAVG: 1920400 -10.9616 -73.6365 -4.07414 -73.6364 -15.936 -6.3036 -4.07413 -6.30365 -15.3686 GPRESSAVG: 1920400 -10.7657 -72.9007 -4.1564 -73.4859 -16.5933 -5.03202 -6.17729 -5.11442 -15.6593 TIMING: 1920400 CPU: 6145.14, 0.00320656/step Wall: 6145.14, 0.00320656/step, 2.74303 hours remaining, 231.570312 MB of memory in use. ENERGY: 1920400 4002.9958 20556.9612 14539.4477 245.8645 -203305.0768 2576.6929 0.0000 0.0000 51962.8253 -109420.2893 298.6311 -161383.1146 -109060.1394 299.1004 -99.5711 -66.0972 762977.5726 -14.0887 -14.3394 PRESSURE: 1920600 282.944 -2.933 159.289 -2.93296 109.316 -105.039 159.29 -105.038 14.5536 GPRESSURE: 1920600 235.047 -11.4338 167.877 -1.02614 166.487 -3.9524 73.2925 -165.297 84.519 PRESSAVG: 1920600 10.9364 -2.18282 41.3617 -2.18275 -33.3746 -14.6329 41.3617 -14.6329 -15.0209 GPRESSAVG: 1920600 11.7163 -1.53453 42.1881 -2.24359 -34.0108 -12.9298 40.8671 -16.6212 -15.0332 TIMING: 1920600 CPU: 6145.77, 0.00315272/step Wall: 6145.77, 0.00315272/step, 2.6968 hours remaining, 231.769531 MB of memory in use. ENERGY: 1920600 3924.9163 20522.0048 14518.6834 267.3996 -203233.1363 2564.4630 0.0000 0.0000 52065.3269 -109370.3423 299.2201 -161435.6692 -109000.7216 299.4497 135.6047 162.0179 760918.5397 -12.4864 -12.4425 PRESSURE: 1920800 101.743 -21.8004 51.4345 -21.8006 13.2924 -41.8127 51.4356 -41.8136 134.551 GPRESSURE: 1920800 56.3059 -71.4384 126.087 76.89 126.773 44.0744 114.751 -116.323 157.115 PRESSAVG: 1920800 40.9169 9.75693 36.537 9.75684 -66.6864 4.75678 36.537 4.75671 22.6542 GPRESSAVG: 1920800 38.6488 8.79823 36.7657 10.3126 -65.6967 3.92764 38.8777 5.08771 24.3311 TIMING: 1920800 CPU: 6146.4, 0.00314079/step Wall: 6146.4, 0.00314079/step, 2.68642 hours remaining, 231.769531 MB of memory in use. ENERGY: 1920800 4013.5520 20555.9614 14541.2195 246.4832 -202885.5684 2341.3839 0.0000 0.0000 51929.0902 -109257.8782 298.4372 -161186.9684 -108904.4692 299.0437 83.1956 113.3981 760428.8751 -1.0384 -0.9056 PRESSURE: 1921000 45.6585 241.253 -49.7693 241.252 -239.75 218.506 -49.7688 218.506 -174.108 GPRESSURE: 1921000 44.1147 219.958 -91.2469 281.899 -187.323 263.877 -103.702 218.759 -167.821 PRESSAVG: 1921000 74.9565 31.4314 52.7482 31.4314 -21.2961 16.4891 52.7482 16.4892 -2.99424 GPRESSAVG: 1921000 75.1872 31.4604 53.1378 30.0185 -20.1736 15.8811 51.4861 16.8264 -3.91944 TIMING: 1921000 CPU: 6147.03, 0.00316021/step Wall: 6147.03, 0.00316021/step, 2.70285 hours remaining, 231.769531 MB of memory in use. ENERGY: 1921000 3966.8953 20634.2118 14501.1933 237.7772 -203118.8169 2282.8165 0.0000 0.0000 52147.7650 -109348.1579 299.6939 -161495.9229 -108987.7272 299.5463 -122.7331 -103.6764 761616.7712 16.8887 17.0314 PRESSURE: 1921200 -50.7199 -51.5268 216.992 -51.5268 -349.181 -22.9075 216.993 -22.9075 -206.266 GPRESSURE: 1921200 27.236 -47.8623 162.356 -27.9556 -281.708 -57.2678 337.526 -45.6101 -262.144 PRESSAVG: 1921200 13.9762 25.5295 42.9406 25.5295 -13.0779 -11.2544 42.9407 -11.2544 -6.22254 GPRESSAVG: 1921200 15.4122 26.0443 42.0738 24.7948 -13.0637 -13.2928 44.3872 -10.1626 -6.52408 TIMING: 1921200 CPU: 6147.66, 0.00314345/step Wall: 6147.66, 0.00314345/step, 2.68835 hours remaining, 231.769531 MB of memory in use. ENERGY: 1921200 3949.0445 20506.7086 14549.3203 249.4382 -202997.4802 2150.5347 0.0000 0.0000 52329.4959 -109262.9380 300.7383 -161592.4339 -108898.4461 300.0394 -202.0559 -172.2053 762424.7885 -1.7748 -1.3918 PRESSURE: 1921400 38.1743 -17.4301 48.8831 -17.4295 -238.989 -79.5006 48.8836 -79.4996 67.7814 GPRESSURE: 1921400 87.8544 -92.5936 0.967732 -47.0999 -210.207 -170.149 22.8363 10.0552 88.6647 PRESSAVG: 1921400 28.4094 -67.8944 5.5894 -67.8944 -13.7873 -7.53335 5.58941 -7.53341 19.9413 GPRESSAVG: 1921400 28.8126 -68.1665 5.24813 -67.7771 -14.3766 -4.47675 5.55148 -8.81286 20.3429 TIMING: 1921400 CPU: 6148.29, 0.00315469/step Wall: 6148.29, 0.00315469/step, 2.69778 hours remaining, 231.769531 MB of memory in use. ENERGY: 1921400 3979.7365 20404.5455 14436.5877 244.6240 -203361.7958 2654.7581 0.0000 0.0000 52283.7921 -109357.7518 300.4757 -161641.5439 -108983.7571 299.9810 -44.3446 -11.2294 763039.3313 11.5211 11.5930 PRESSURE: 1921600 341.507 -115.079 333.303 -115.079 122.072 181.523 333.302 181.524 341.894 GPRESSURE: 1921600 381.677 -233.08 216.423 -168.818 141.969 186.433 322.16 194.411 369.237 PRESSAVG: 1921600 45.9532 -20.1015 16.5546 -20.1015 -68.569 20.429 16.5547 20.429 -17.6906 GPRESSAVG: 1921600 46.0103 -20.3267 14.2826 -18.9333 -68.0665 19.7552 15.4596 20.3703 -17.8478 TIMING: 1921600 CPU: 6148.92, 0.0031455/step Wall: 6148.92, 0.0031455/step, 2.68975 hours remaining, 231.769531 MB of memory in use. ENERGY: 1921600 3947.8033 20495.4366 14483.1732 239.3894 -203343.4636 2814.4505 0.0000 0.0000 52134.6939 -109228.5167 299.6188 -161363.2105 -108866.8047 299.3972 268.4911 297.6275 762945.1536 -13.4355 -13.3014 PRESSURE: 1921800 -124.689 51.2583 -40.921 51.2588 -29.291 187.582 -40.9209 187.581 -215.419 GPRESSURE: 1921800 -78.5595 117.978 -31.9421 -113.246 -16.6447 215.965 -16.1475 68.9754 -197.821 PRESSAVG: 1921800 -27.0899 -11.4178 -26.6727 -11.4178 -17.6716 31.5058 -26.6727 31.5058 1.44238 GPRESSAVG: 1921800 -26.8176 -12.1505 -23.9016 -11.8076 -19.1907 30.4933 -26.8524 32.9527 2.87465 TIMING: 1921800 CPU: 6149.55, 0.00314404/step Wall: 6149.55, 0.00314404/step, 2.68833 hours remaining, 231.769531 MB of memory in use. ENERGY: 1921800 3987.1345 20560.5742 14477.9193 241.4932 -202864.1164 2203.8663 0.0000 0.0000 52245.3102 -109147.8187 300.2545 -161393.1289 -108786.9062 300.0242 -123.1329 -97.6752 762034.4685 -14.4397 -14.3779 PRESSURE: 1922000 207.988 29.4507 0.549595 29.4514 -36.8858 181.325 0.549266 181.326 -567.43 GPRESSURE: 1922000 302.661 -47.4681 -6.48925 -8.18167 -59.3973 216.221 -80.4328 72.6848 -556.223 PRESSAVG: 1922000 71.5432 -44.8236 28.8047 -44.8236 -37.4717 -1.77818 28.8047 -1.77807 21.8118 GPRESSAVG: 1922000 69.9055 -43.7059 25.0342 -44.7127 -35.3089 -0.43137 29.3237 -4.7563 21.386 TIMING: 1922000 CPU: 6150.18, 0.00315668/step Wall: 6150.18, 0.00315668/step, 2.69896 hours remaining, 231.769531 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: 1922000 3952.1772 20523.8132 14498.1463 242.4848 -203061.9714 2317.8949 0.0000 0.0000 52249.2168 -109278.2382 300.2770 -161527.4550 -108912.0528 300.1416 -132.1095 -104.3196 760570.0089 18.6278 18.6609 PRESSURE: 1922200 13.0059 -141.79 7.25492 -141.79 -121.478 -63.4688 7.25442 -63.4685 -324.635 GPRESSURE: 1922200 108.703 -276.117 52.1434 -223.702 -209.825 -37.9824 103.899 -17.5727 -248.729 PRESSAVG: 1922200 58.1282 -37.6073 6.35142 -37.6074 -23.677 -36.9765 6.35141 -36.9766 -3.86529 GPRESSAVG: 1922200 59.2232 -39.3733 8.14747 -37.1838 -24.9556 -37.1018 7.42216 -36.1601 -3.83173 TIMING: 1922200 CPU: 6150.81, 0.0031428/step Wall: 6150.81, 0.0031428/step, 2.68692 hours remaining, 231.769531 MB of memory in use. ENERGY: 1922200 3977.4112 20679.5900 14504.0176 249.0581 -203231.1350 2412.6427 0.0000 0.0000 51954.4238 -109453.9915 298.5828 -161408.4153 -109097.6558 299.7270 -144.3691 -116.6172 759576.8833 10.1953 10.1453 PRESSURE: 1922400 147.544 -154.47 106.534 -154.47 -454.731 -57.8685 106.534 -57.8692 -414.275 GPRESSURE: 1922400 111.578 -123.877 54.3125 -247.005 -420.659 -37.0173 161.436 -180.496 -344.475 PRESSAVG: 1922400 68.0921 -71.5209 37.1304 -71.5209 -43.2784 5.8577 37.1305 5.85771 1.68139 GPRESSAVG: 1922400 68.3079 -69.4917 37.675 -74.2451 -44.664 4.93221 38.0643 6.19666 2.94551 TIMING: 1922400 CPU: 6151.44, 0.00314905/step Wall: 6151.44, 0.00314905/step, 2.69209 hours remaining, 231.769531 MB of memory in use. ENERGY: 1922400 4128.7590 20469.3098 14451.7216 240.3928 -203855.0340 2913.7188 0.0000 0.0000 52253.2301 -109397.9019 300.3000 -161651.1320 -109045.9195 299.6402 -240.4872 -217.8518 762697.2337 8.8317 8.8631 PRESSURE: 1922600 -62.0639 -213.644 -16.3044 -213.645 -39.3005 -89.0728 -16.3043 -89.0733 -57.7186 GPRESSURE: 1922600 -34.6474 -160.087 -6.07592 -118.398 -39.3861 -66.6788 42.8048 -178.299 -4.8526 PRESSAVG: 1922600 23.2506 -22.1555 -4.70009 -22.1555 -30.1297 -69.8681 -4.70012 -69.868 -14.2342 GPRESSAVG: 1922600 22.5917 -22.6076 -4.44848 -18.7047 -28.4837 -70.8289 -8.46453 -68.7579 -15.4829 TIMING: 1922600 CPU: 6152.06, 0.00313326/step Wall: 6152.06, 0.00313326/step, 2.67842 hours remaining, 231.769531 MB of memory in use. ENERGY: 1922600 4029.1742 20525.4819 14504.3239 253.5500 -203319.9239 2540.6589 0.0000 0.0000 52153.4505 -109313.2844 299.7266 -161466.7349 -108957.5725 299.5448 -53.0277 -26.2953 759302.1850 -7.0377 -7.1250 PRESSURE: 1922800 -58.5209 -75.2576 46.9722 -75.2576 -361.456 -5.66833 46.9716 -5.66903 98.8736 GPRESSURE: 1922800 -59.0893 -51.9791 -18.0007 -104.327 -375.292 39.6625 230.265 126.539 183.284 PRESSAVG: 1922800 40.3822 -20.2055 6.86892 -20.2054 -15.1799 7.95338 6.86894 7.95339 5.6953 GPRESSAVG: 1922800 40.4864 -20.5795 7.65526 -21.4337 -14.8747 9.06303 7.78103 9.01593 5.49794 TIMING: 1922800 CPU: 6152.69, 0.00314008/step Wall: 6152.69, 0.00314008/step, 2.68407 hours remaining, 231.769531 MB of memory in use. ENERGY: 1922800 3942.7374 20579.9798 14511.5121 248.3978 -202869.8363 2233.2747 0.0000 0.0000 51903.5301 -109450.4044 298.2903 -161353.9345 -109095.1554 299.6228 -107.0346 -83.6993 761231.9006 10.2992 10.3699 PRESSURE: 1923000 -391.454 91.2833 124.714 91.2826 -139.077 87.1929 124.715 87.1943 -228.17 GPRESSURE: 1923000 -305.126 108.962 182.426 144.989 -257.666 102.02 28.2101 160.285 -123.004 PRESSAVG: 1923000 88.928 -4.48105 16.0047 -4.48108 -49.6338 50.0892 16.0047 50.0892 -16.6929 GPRESSAVG: 1923000 88.3164 -3.57708 17.3213 -4.40594 -50.0861 50.1236 14.2974 49.5887 -16.0088 TIMING: 1923000 CPU: 6153.32, 0.00315028/step Wall: 6153.32, 0.00315028/step, 2.69261 hours remaining, 231.769531 MB of memory in use. ENERGY: 1923000 3985.2028 20441.6244 14502.1962 248.2863 -202596.1129 1958.8348 0.0000 0.0000 52181.2900 -109278.6784 299.8866 -161459.9684 -108917.3654 299.6091 -252.9005 -228.5989 761358.4529 7.5337 7.4072 PRESSURE: 1923200 -239.837 244.403 175.695 244.403 -111.895 16.8134 175.693 16.8132 -68.4935 GPRESSURE: 1923200 -98.2226 174.663 95.331 189.565 -133.558 26.9719 134.02 -89.756 -105.104 PRESSAVG: 1923200 53.4651 37.3459 38.5012 37.3459 -11.2037 20.5384 38.5011 20.5384 -5.70402 GPRESSAVG: 1923200 52.9057 36.5332 38.7792 37.1648 -10.4042 19.8333 38.0052 20.4438 -6.17266 TIMING: 1923200 CPU: 6153.95, 0.00314944/step Wall: 6153.95, 0.00314944/step, 2.69172 hours remaining, 231.769531 MB of memory in use. ENERGY: 1923200 4030.3449 20612.8269 14478.2030 251.3683 -203134.4236 2378.5124 0.0000 0.0000 52018.9450 -109364.2232 298.9536 -161383.1681 -109001.4089 299.8704 -140.0751 -112.2951 761211.0660 12.1858 12.1096 PRESSURE: 1923400 -167.628 64.9251 25.3205 64.9245 -72.535 118.859 25.3202 118.859 266.267 GPRESSURE: 1923400 -172.738 -21.6233 48.0376 105.582 11.3314 147.3 -18.9104 45.4985 278.785 PRESSAVG: 1923400 -15.1862 17.8954 25.5811 17.8954 7.26023 8.57977 25.5811 8.57975 12.949 GPRESSAVG: 1923400 -13.2323 15.2911 25.303 19.0012 6.67988 9.65079 27.9093 7.30955 11.9882 TIMING: 1923400 CPU: 6154.58, 0.00314738/step Wall: 6154.58, 0.00314738/step, 2.68978 hours remaining, 231.769531 MB of memory in use. ENERGY: 1923400 3941.1822 20624.2542 14506.2749 277.6395 -203190.2675 2576.6836 0.0000 0.0000 52077.0279 -109187.2052 299.2874 -161264.2331 -108827.3401 299.4155 8.7012 39.1260 762539.5479 1.6743 1.8119 PRESSURE: 1923600 35.2124 -73.5372 133.291 -73.5371 -162.432 133.461 133.291 133.461 176.025 GPRESSURE: 1923600 -26.0626 -9.04374 205.993 -87.3921 -42.6438 161.612 75.1442 79.9813 193.912 PRESSAVG: 1923600 22.143 19.0818 45.1749 19.0818 -27.9951 -24.2142 45.1749 -24.2142 -11.2026 GPRESSAVG: 1923600 20.756 23.8426 44.6616 18.0543 -27.08 -23.7185 42.2619 -23.2006 -10.7924 TIMING: 1923600 CPU: 6155.21, 0.00314666/step Wall: 6155.21, 0.00314666/step, 2.68899 hours remaining, 231.769531 MB of memory in use. ENERGY: 1923600 3983.8496 20724.7435 14486.9873 251.6339 -202971.5903 2374.2916 0.0000 0.0000 52005.7646 -109144.3198 298.8778 -161150.0845 -108792.0248 300.3839 16.2685 41.7353 762488.5332 -5.6849 -5.7055 PRESSURE: 1923800 -144.935 -6.80306 -65.0838 -6.80303 -80.6117 47.3953 -65.0831 47.3957 86.821 GPRESSURE: 1923800 -5.13101 -15.7228 -29.8001 -128.646 -116.074 -38.6469 -85.4028 22.6459 89.7437 PRESSAVG: 1923800 -4.92823 36.1895 9.28952 36.1895 -9.70674 -44.3412 9.28945 -44.3412 6.26598 GPRESSAVG: 1923800 -5.23195 34.2731 9.84004 35.037 -8.69567 -44.9611 8.9859 -46.3999 5.39141 TIMING: 1923800 CPU: 6155.85, 0.00317947/step Wall: 6155.85, 0.00317947/step, 2.71685 hours remaining, 231.769531 MB of memory in use. ENERGY: 1923800 3938.8248 20524.3038 14487.0565 249.2813 -202829.0364 2047.6089 0.0000 0.0000 52120.2612 -109461.6999 299.5359 -161581.9611 -109094.0839 299.5927 -46.2419 -10.4871 760446.2315 -2.7897 -2.8454 PRESSURE: 1924000 155.603 50.8921 42.0664 50.893 -63.012 -53.2619 42.0662 -53.2629 163.564 GPRESSURE: 1924000 142.923 91.6023 1.29861 88.538 18.9814 49.6542 33.0168 95.2671 177.83 PRESSAVG: 1924000 -24.4289 -1.15943 13.265 -1.15943 11.6821 -29.2492 13.265 -29.2492 -8.76641 GPRESSAVG: 1924000 -23.481 -1.38534 10.9439 0.731968 10.0497 -27.8612 15.9116 -29.0841 -8.03591 TIMING: 1924000 CPU: 6156.48, 0.00315521/step Wall: 6156.48, 0.00315521/step, 2.69595 hours remaining, 231.769531 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: 1924000 3973.8429 20742.4591 14520.6083 223.8682 -203658.2940 2758.9747 0.0000 0.0000 52110.8931 -109327.6478 299.4820 -161438.5409 -108977.3384 299.6724 85.3850 113.2447 759864.6080 -7.1711 -7.1557 PRESSURE: 1924200 -98.5529 0.456998 -19.6319 0.457582 232.531 -11.9399 -19.6324 -11.9391 55.0024 GPRESSURE: 1924200 -52.8766 35.9408 -20.0197 -69.8461 223.203 -35.9371 -41.0863 -39.3715 112.373 PRESSAVG: 1924200 -45.4537 24.5135 30.1075 24.5135 24.0018 32.3293 30.1075 32.3293 7.15102 GPRESSAVG: 1924200 -45.4435 25.7002 32.488 23.659 24.1737 31.2762 27.4547 32.9782 6.81208 TIMING: 1924200 CPU: 6157.11, 0.00314242/step Wall: 6157.11, 0.00314242/step, 2.68485 hours remaining, 231.769531 MB of memory in use. ENERGY: 1924200 4022.2444 20460.2949 14556.3898 258.5243 -203127.5109 2294.5438 0.0000 0.0000 52285.3954 -109250.1184 300.4849 -161535.5137 -108886.9484 300.0330 62.9936 94.2331 760163.2100 -4.7670 -4.8192 LDB: ============= START OF LOAD BALANCING ============== 6169.53 LDB: ============== END OF LOAD BALANCING =============== 6169.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6169.53 LDB: ============= START OF LOAD BALANCING ============== 6169.84 LDB: Largest compute 7069 load 0.034305 is 17.5% of average load 0.195552 LDB: Average compute 0.004394 is 2.2% of average load 0.195552 LDB: TIME 6169.85 LOAD: AVG 0.195552 MAX 0.216952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.406 MB LDB: TIME 6169.85 LOAD: AVG 0.195552 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: TIME 6169.85 LOAD: AVG 0.195552 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.406 MB LDB: ============== END OF LOAD BALANCING =============== 6169.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6169.85 PRESSURE: 1924400 -179.346 66.1421 242.99 66.1418 79.4607 -123.291 242.99 -123.293 -121.381 GPRESSURE: 1924400 5.75972 -25.9556 230.907 19.654 74.9191 -127.65 264.83 -298.845 -201.913 PRESSAVG: 1924400 -45.3067 -19.6836 -29.8529 -19.6836 48.2227 -76.5677 -29.8529 -76.5677 1.63449 GPRESSAVG: 1924400 -44.6226 -20.9631 -31.0609 -19.1553 47.0232 -76.2774 -27.0999 -77.049 1.70244 TIMING: 1924400 CPU: 6157.75, 0.00321132/step Wall: 6157.75, 0.00321132/step, 2.74354 hours remaining, 232.207031 MB of memory in use. ENERGY: 1924400 3939.2534 20527.9564 14508.1660 262.1031 -203052.3302 2290.5689 0.0000 0.0000 52068.4750 -109455.8074 299.2382 -161524.2824 -109088.7731 300.4221 -73.7556 -40.4115 761309.1579 1.5168 1.3677 PRESSURE: 1924600 -149.917 57.402 -27.3364 57.4024 171.582 -22.4248 -27.3368 -22.4254 166.928 GPRESSURE: 1924600 -127.59 11.4228 -74.5143 3.74662 243.617 -63.4989 76.6027 22.1865 172.895 PRESSAVG: 1924600 21.1884 8.63645 -2.13226 8.63645 -32.5905 76.0205 -2.13228 76.0204 -5.82808 GPRESSAVG: 1924600 20.0319 10.5547 -1.38112 9.36211 -31.6711 75.293 -3.75282 76.0164 -5.2865 TIMING: 1924600 CPU: 6158.38, 0.00313935/step Wall: 6158.38, 0.00313935/step, 2.68188 hours remaining, 232.410156 MB of memory in use. ENERGY: 1924600 3961.0076 20536.4851 14576.2410 241.9778 -203571.8172 2562.5936 0.0000 0.0000 51945.6658 -109747.8462 298.5325 -161693.5120 -109387.1580 299.0434 62.8642 96.3072 759244.9965 -5.7434 -5.6419 PRESSURE: 1924800 371.505 281.321 -18.5177 281.322 99.102 109.253 -18.5181 109.253 -67.1508 GPRESSURE: 1924800 361.91 248.049 -97.4407 257.545 169.643 117.659 -83.7474 188.475 -22.7255 PRESSAVG: 1924800 -0.687766 -20.1335 -72.4268 -20.1335 -36.0157 45.3211 -72.4268 45.3211 19.3041 GPRESSAVG: 1924800 -0.418168 -20.6969 -73.6191 -21.68 -36.0505 45.9811 -70.6204 47.3962 18.839 TIMING: 1924800 CPU: 6159.01, 0.00314791/step Wall: 6159.01, 0.00314791/step, 2.68901 hours remaining, 232.410156 MB of memory in use. ENERGY: 1924800 3930.5979 20366.8915 14515.2968 229.5730 -203218.9130 2445.5310 0.0000 0.0000 51648.9160 -110082.1068 296.8270 -161731.0228 -109722.1764 298.6256 134.4856 169.6091 760216.0478 -5.7998 -5.8765 PRESSURE: 1925000 20.7119 -35.2448 -33.4386 -35.2445 -346.251 -326.789 -33.4383 -326.789 -500.74 GPRESSURE: 1925000 -18.4929 -29.6642 100.749 -25.9912 -284.63 -315.162 -45.1453 -211.888 -448.666 PRESSAVG: 1925000 32.5029 -16.3083 -15.9656 -16.3083 -36.2768 -22.5542 -15.9656 -22.5543 13.8363 GPRESSAVG: 1925000 33.1715 -18.6305 -14.3386 -14.5171 -37.4439 -22.5392 -16.9382 -25.1879 14.1719 TIMING: 1925000 CPU: 6159.64, 0.00314654/step Wall: 6159.64, 0.00314654/step, 2.68767 hours remaining, 232.410156 MB of memory in use. ENERGY: 1925000 3952.3053 20472.5576 14466.3273 249.9338 -203190.5343 2188.1565 0.0000 0.0000 51880.3363 -109980.9174 298.1570 -161861.2537 -109624.7771 298.1299 -275.4264 -250.5965 760042.4072 3.3541 3.2998 PRESSURE: 1925200 95.3808 -140.147 -20.2754 -140.147 -143.542 46.4519 -20.2763 46.4527 273.359 GPRESSURE: 1925200 177.717 -152.519 -107.155 -198.622 -86.1061 67.7298 132.536 137.906 220.306 PRESSAVG: 1925200 30.0124 -40.2582 -47.4218 -40.2582 13.6789 2.79676 -47.4218 2.79678 -2.45617 GPRESSAVG: 1925200 30.1109 -40.8471 -48.0407 -40.5946 14.7808 3.38654 -47.9575 4.47757 -2.84234 TIMING: 1925200 CPU: 6160.27, 0.00316395/step Wall: 6160.27, 0.00316395/step, 2.70236 hours remaining, 232.410156 MB of memory in use. ENERGY: 1925200 3994.9029 20410.6521 14507.3006 238.0065 -203291.0228 2509.8018 0.0000 0.0000 51561.1384 -110069.2206 296.3226 -161630.3591 -109709.4407 298.2150 75.0659 103.9722 759709.9987 13.7451 14.0164 PRESSURE: 1925400 423.544 -14.4295 -20.9289 -14.4287 463.947 176.003 -20.9287 176.003 181.282 GPRESSURE: 1925400 488.722 102.505 43.2687 -18.8813 441.337 127.849 -33.4581 175.082 225.149 PRESSAVG: 1925400 0.603707 -96.4665 -30.1258 -96.4665 -12.016 -0.167869 -30.1259 -0.167952 5.92596 GPRESSAVG: 1925400 1.27102 -95.0029 -30.6468 -98.0705 -12.7263 0.75166 -31.0875 -0.412902 5.6296 TIMING: 1925400 CPU: 6160.9, 0.003175/step Wall: 6160.9, 0.003175/step, 2.71163 hours remaining, 232.410156 MB of memory in use. ENERGY: 1925400 3925.7257 20455.3685 14424.7289 262.1895 -204055.3713 2879.7152 0.0000 0.0000 52006.2271 -110101.4165 298.8805 -162107.6436 -109747.1242 298.5093 356.2577 385.0693 759806.9830 -1.8288 -1.9419 PRESSURE: 1925600 31.3237 79.5858 -45.0117 79.5856 63.8913 83.8402 -45.0114 83.84 -39.6503 GPRESSURE: 1925600 -1.90891 36.2304 -110.051 184.49 95.5694 96.5741 -68.0332 150.654 38.1777 PRESSAVG: 1925600 -1.6398 -1.03774 -7.28385 -1.03775 15.062 27.9252 -7.28386 27.9252 37.4609 GPRESSAVG: 1925600 -1.53959 -1.51153 -6.96122 -0.85085 14.1965 26.7716 -7.61198 27.3772 38.1425 TIMING: 1925600 CPU: 6161.53, 0.0031563/step Wall: 6161.53, 0.0031563/step, 2.69548 hours remaining, 232.410156 MB of memory in use. ENERGY: 1925600 4001.7750 20423.9250 14482.9527 271.1779 -203398.5190 2405.2664 0.0000 0.0000 51800.8283 -110012.5937 297.7001 -161813.4221 -109647.7578 298.3572 18.5215 43.9460 760117.2897 16.9610 16.9331 PRESSURE: 1925800 -208.139 98.2288 56.9414 98.2297 523.656 196.298 56.94 196.298 15.6199 GPRESSURE: 1925800 -46.2479 68.2515 16.1779 105.822 408.919 230.196 1.27502 187.529 44.8699 PRESSAVG: 1925800 -3.82105 -24.4385 -77.6948 -24.4385 29.6316 5.32372 -77.6948 5.32376 -24.7162 GPRESSAVG: 1925800 -4.8921 -24.502 -76.9189 -23.2854 30.6755 4.46368 -75.0817 3.26882 -24.7939 TIMING: 1925800 CPU: 6162.16, 0.00314817/step Wall: 6162.16, 0.00314817/step, 2.68837 hours remaining, 232.410156 MB of memory in use. ENERGY: 1925800 3949.6920 20586.6763 14492.6361 258.0633 -204105.0251 2783.3180 0.0000 0.0000 51921.9222 -110112.7172 298.3960 -162034.6394 -109749.0732 298.5050 110.3790 135.8469 758534.1661 0.3648 0.3298 PRESSURE: 1926000 -90.9871 -38.3855 -198.497 -38.3863 5.83585 -135.401 -198.497 -135.399 171.744 GPRESSURE: 1926000 -5.48628 -8.32653 -211.583 -42.4137 58.4929 -94.9613 -222.077 -225.486 106.251 PRESSAVG: 1926000 -29.2234 -35.4097 -3.77788 -35.4097 47.5391 1.05942 -3.7779 1.05944 8.99341 GPRESSAVG: 1926000 -29.1894 -35.0925 -5.38937 -35.1586 46.8453 0.656443 -3.92252 1.72932 10.1803 TIMING: 1926000 CPU: 6162.79, 0.0031317/step Wall: 6162.79, 0.0031317/step, 2.67413 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1926000 3971.4805 20505.0147 14509.4046 259.9153 -203358.0194 2364.5282 0.0000 0.0000 51760.0589 -109987.6173 297.4658 -161747.6762 -109625.5439 298.7361 28.8641 53.0857 757882.2971 9.1030 9.2787 PRESSURE: 1926200 -62.3989 154.944 157.817 154.944 -204.683 -2.18045 157.817 -2.1798 -49.6956 GPRESSURE: 1926200 -45.2699 278.266 182.84 157.389 -154.075 -9.28233 79.008 53.9316 -30.5884 PRESSAVG: 1926200 -11.7784 3.37102 -61.329 3.37107 32.6757 42.215 -61.329 42.2149 12.4055 GPRESSAVG: 1926200 -11.221 3.98897 -60.6786 1.649 33.9933 42.1628 -62.9514 44.1448 11.1507 TIMING: 1926200 CPU: 6163.42, 0.00314131/step Wall: 6163.42, 0.00314131/step, 2.68216 hours remaining, 232.410156 MB of memory in use. ENERGY: 1926200 4083.5638 20405.8049 14553.0734 232.8204 -203292.0455 2276.9526 0.0000 0.0000 51900.7132 -109839.1172 298.2741 -161739.8304 -109479.9975 298.9164 -105.5925 -76.6445 760280.1660 11.1009 11.3077 PRESSURE: 1926400 -412.344 15.4393 -14.84 15.4394 -7.24745 144.565 -14.84 144.565 -68.2296 GPRESSURE: 1926400 -352.529 -19.1875 -11.6452 -36.1945 20.5162 60.8493 -94.3611 120.092 -76.5356 PRESSAVG: 1926400 -71.1785 -12.9883 -44.0062 -12.9883 67.6431 33.0687 -44.0063 33.0687 7.09653 GPRESSAVG: 1926400 -70.7203 -13.443 -42.7833 -11.8687 68.0891 32.9676 -45.1034 33.7003 6.0765 TIMING: 1926400 CPU: 6164.05, 0.00316819/step Wall: 6164.05, 0.00316819/step, 2.70493 hours remaining, 232.410156 MB of memory in use. ENERGY: 1926400 3966.9890 20462.5578 14497.2690 245.5319 -202996.8439 2187.0180 0.0000 0.0000 51725.2161 -109912.2621 297.2655 -161637.4782 -109553.9880 298.9504 -162.6072 -136.1828 760615.8102 1.1870 1.1485 PRESSURE: 1926600 202.872 55.4272 -255.425 55.4273 18.9209 82.6308 -255.425 82.6304 294.266 GPRESSURE: 1926600 239.951 55.6736 -191.414 -14.8027 133.842 7.38369 -199.425 184.187 242.314 PRESSAVG: 1926600 17.0172 -36.81 -0.243118 -36.8101 -15.6288 15.0948 -0.243087 15.0948 -3.35105 GPRESSAVG: 1926600 16.3385 -39.3299 1.03346 -35.0833 -16.0325 17.6645 -0.112802 14.0742 -2.13759 TIMING: 1926600 CPU: 6164.68, 0.00315991/step Wall: 6164.68, 0.00315991/step, 2.69769 hours remaining, 232.410156 MB of memory in use. ENERGY: 1926600 3926.6483 20373.7864 14574.9783 240.5231 -203663.7993 2859.5747 0.0000 0.0000 51895.6454 -109792.6431 298.2450 -161688.2885 -109429.1339 298.5371 172.0195 205.3688 759946.4945 -0.6542 -0.6105 PRESSURE: 1926800 -211.655 135.54 97.551 135.54 -374.9 21.1497 97.5512 21.1514 -100.28 GPRESSURE: 1926800 -220.357 7.42568 175.757 126.852 -285.344 12.3084 1.16063 -26.3863 -80.8674 PRESSAVG: 1926800 -24.4881 39.0618 -2.67613 39.0617 42.7084 42.3077 -2.67614 42.3077 -7.17436 GPRESSAVG: 1926800 -23.061 39.9491 -5.51119 38.7186 41.6773 40.4394 -1.70334 44.0357 -6.81755 TIMING: 1926800 CPU: 6165.31, 0.00314214/step Wall: 6165.31, 0.00314214/step, 2.68234 hours remaining, 232.410156 MB of memory in use. ENERGY: 1926800 4125.2529 20363.8955 14534.1257 236.2648 -203067.9380 2244.7764 0.0000 0.0000 52104.8640 -109458.7587 299.4474 -161563.6227 -109105.1682 299.4436 -228.9451 -195.5226 761238.2436 3.6820 3.9329 PRESSURE: 1927000 7.32952 -31.3012 256.663 -31.3007 -168.742 17.8933 256.663 17.8931 270.62 GPRESSURE: 1927000 63.3775 -83.4545 279.44 -144.137 -79.5298 39.1694 216.202 -21.6242 207.457 PRESSAVG: 1927000 4.82994 -13.5701 25.8866 -13.5701 64.6701 23.2777 25.8866 23.2776 -13.103 GPRESSAVG: 1927000 3.62384 -12.404 27.935 -14.9992 64.5588 23.8437 25.0755 20.3432 -11.7665 TIMING: 1927000 CPU: 6165.94, 0.00312542/step Wall: 6165.94, 0.00312542/step, 2.6679 hours remaining, 232.410156 MB of memory in use. ENERGY: 1927000 3956.9316 20594.1895 14453.8648 262.5945 -203683.1654 2941.5408 0.0000 0.0000 52078.6598 -109395.3844 299.2968 -161474.0442 -109045.6321 299.8588 36.4024 63.7683 760335.4971 18.7990 18.8054 PRESSURE: 1927200 114.55 7.62576 -224.916 7.62447 -240.28 129.727 -224.916 129.726 -4.0634 GPRESSURE: 1927200 135.514 -50.8819 -324.907 50.7542 -175.115 128.956 -132.265 158.235 -5.8405 PRESSAVG: 1927200 -27.2313 -19.2116 -6.43761 -19.2116 -8.33737 -34.0378 -6.43754 -34.0377 38.3884 GPRESSAVG: 1927200 -25.9601 -20.264 -7.49684 -19.7244 -8.11089 -35.0921 -4.48328 -32.4532 36.4769 TIMING: 1927200 CPU: 6166.57, 0.00313961/step Wall: 6166.57, 0.00313961/step, 2.67983 hours remaining, 232.410156 MB of memory in use. ENERGY: 1927200 4008.9747 20440.2594 14514.1477 244.6731 -203300.5370 2572.6864 0.0000 0.0000 52090.6074 -109429.1883 299.3654 -161519.7958 -109059.3709 299.4917 -43.2643 -15.1472 762138.5117 0.9399 0.8020 PRESSURE: 1927400 -349.106 -41.0054 -83.6308 -41.006 -255.323 257.189 -83.63 257.189 -546.533 GPRESSURE: 1927400 -298.644 40.6231 -168.991 -52.05 -240.818 269.728 -14.8649 210.87 -518.262 PRESSAVG: 1927400 38.1374 -32.6888 -10.9111 -32.6887 -49.7328 -0.788771 -10.9111 -0.788731 3.55972 GPRESSAVG: 1927400 37.6303 -30.4294 -11.1711 -32.7866 -48.8739 -0.409674 -8.65793 -0.968247 3.78205 TIMING: 1927400 CPU: 6167.19, 0.00313635/step Wall: 6167.19, 0.00313635/step, 2.67688 hours remaining, 232.410156 MB of memory in use. ENERGY: 1927400 4052.5811 20580.6929 14527.1486 246.5345 -202714.5438 2094.0832 0.0000 0.0000 51900.0254 -109313.4781 298.2702 -161213.5035 -108954.3933 299.1940 -383.6540 -352.5745 761744.2609 -2.6786 -2.4872 PRESSURE: 1927600 177.681 -66.9266 -115.771 -66.9256 244.899 -2.89075 -115.771 -2.89031 -90.1618 GPRESSURE: 1927600 194.912 -17.5304 -86.9811 10.904 244.729 33.8478 -221.592 -30.6298 -11.1538 PRESSAVG: 1927600 5.78839 -13.9691 -9.52221 -13.969 17.115 -35.4662 -9.5222 -35.4663 -5.97084 GPRESSAVG: 1927600 5.80341 -15.3618 -7.56677 -11.8723 17.0779 -35.9976 -14.5058 -35.9895 -5.96868 TIMING: 1927600 CPU: 6167.82, 0.00313725/step Wall: 6167.82, 0.00313725/step, 2.67747 hours remaining, 232.410156 MB of memory in use. ENERGY: 1927600 3946.2348 20365.4438 14477.1237 247.8576 -203081.6037 2450.1443 0.0000 0.0000 52259.4427 -109335.3569 300.3357 -161594.7995 -108954.8018 299.3909 110.8058 142.8290 760740.7597 5.6442 5.6375 PRESSURE: 1927800 -255.819 -66.169 33.2112 -66.1684 35.6188 -13.6048 33.2111 -13.6055 95.8793 GPRESSURE: 1927800 -111.494 -121.632 45.7657 -122.573 24.3888 6.79671 108.666 -37.2158 58.8794 PRESSAVG: 1927800 4.52118 -14.5548 -19.4539 -14.5548 22.5252 15.0828 -19.4538 15.0828 10.3169 GPRESSAVG: 1927800 4.63946 -15.2456 -19.6138 -15.8293 21.5512 17.1311 -17.2729 16.1689 11.2896 TIMING: 1927800 CPU: 6168.45, 0.00314341/step Wall: 6168.45, 0.00314341/step, 2.68255 hours remaining, 232.410156 MB of memory in use. ENERGY: 1927800 4015.0523 20485.8663 14489.4469 256.7492 -203156.3141 2313.3632 0.0000 0.0000 52113.9113 -109481.9249 299.4994 -161595.8362 -109125.9095 299.3873 -41.4402 -9.4086 761908.0188 12.4544 12.4934 PRESSURE: 1928000 -114.771 113.693 -11.7809 113.693 -354.279 -188.818 -11.7819 -188.817 -3.4993 GPRESSURE: 1928000 -78.5964 125.497 8.78497 34.6797 -218.683 -155.331 28.4031 -271.086 -95.3096 PRESSAVG: 1928000 6.26838 -31.8483 4.35305 -31.8484 -37.8964 -0.603326 4.35307 -0.603347 4.41007 GPRESSAVG: 1928000 6.7424 -30.558 4.69262 -31.0647 -36.8621 -1.96699 3.99164 -2.04927 2.68662 TIMING: 1928000 CPU: 6169.08, 0.0031451/step Wall: 6169.08, 0.0031451/step, 2.68382 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1928000 3958.0719 20635.1912 14582.9499 244.1420 -203246.7704 2411.0065 0.0000 0.0000 51828.2695 -109587.1394 297.8578 -161415.4090 -109222.8519 299.5124 -157.5164 -130.8629 762754.9236 -9.0727 -9.1443 PRESSURE: 1928200 113.324 -248.409 -107.211 -248.41 357.081 -23.1278 -107.211 -23.1277 -141.873 GPRESSURE: 1928200 48.8164 -240.924 -180.965 -171.439 462.546 -20.766 -3.29185 -74.8541 -91.2384 PRESSAVG: 1928200 22.7634 -35.9943 20.6384 -35.9943 -0.828212 -31.6045 20.6384 -31.6046 24.0969 GPRESSAVG: 1928200 22.4966 -36.5806 18.3516 -37.5817 -0.685502 -32.2073 20.6055 -29.5661 24.7879 TIMING: 1928200 CPU: 6169.71, 0.00313488/step Wall: 6169.71, 0.00313488/step, 2.67492 hours remaining, 232.410156 MB of memory in use. ENERGY: 1928200 3990.5897 20544.9718 14485.1566 233.5007 -203880.2719 2724.7569 0.0000 0.0000 52232.9497 -109668.3465 300.1835 -161901.2962 -109307.6132 298.8821 109.5107 140.0413 761713.9886 15.3440 15.5330 LDB: ============= START OF LOAD BALANCING ============== 6182.13 LDB: ============== END OF LOAD BALANCING =============== 6182.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6182.13 LDB: ============= START OF LOAD BALANCING ============== 6182.44 LDB: Largest compute 7072 load 0.035360 is 18.1% of average load 0.195452 LDB: Average compute 0.004371 is 2.2% of average load 0.195452 LDB: TIME 6182.44 LOAD: AVG 0.195452 MAX 0.213933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.57 MB LDB: TIME 6182.45 LOAD: AVG 0.195452 MAX 0.213933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: TIME 6182.45 LOAD: AVG 0.195452 MAX 0.213933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.57 MB LDB: ============== END OF LOAD BALANCING =============== 6182.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6182.45 PRESSURE: 1928400 -296.022 -104.134 -72.594 -104.135 -232.727 -141.194 -72.5933 -141.194 -592.52 GPRESSURE: 1928400 -356.499 -31.8125 -149.594 -57.6346 -115.801 -231.785 121.149 -83.3213 -560.103 PRESSAVG: 1928400 32.4813 -33.5523 24.5989 -33.5523 -35.5051 -10.3185 24.599 -10.3184 -5.67838 GPRESSAVG: 1928400 31.7793 -34.1448 26.9347 -33.3259 -35.6006 -9.83603 24.796 -11.7839 -5.56444 TIMING: 1928400 CPU: 6170.35, 0.00320447/step Wall: 6170.35, 0.00320447/step, 2.73412 hours remaining, 232.515625 MB of memory in use. ENERGY: 1928400 4083.8373 20679.1368 14554.3686 244.1199 -203202.1476 2171.2266 0.0000 0.0000 51832.9881 -109636.4703 297.8849 -161469.4584 -109281.8151 299.0387 -373.7563 -344.1345 761921.6377 -2.9007 -3.1286 PRESSURE: 1928600 -277.248 60.0805 -69.4946 60.0803 59.2767 309.885 -69.4942 309.884 66.1622 GPRESSURE: 1928600 -232.234 61.5665 -122.953 141.257 100.082 311.915 -75.0638 252.163 65.5087 PRESSAVG: 1928600 10.3487 -30.0808 -14.7803 -30.0807 -33.6927 -2.35601 -14.7802 -2.35604 7.78531 GPRESSAVG: 1928600 13.0998 -26.9265 -14.7433 -30.6313 -34.6364 -3.56493 -15.3875 -2.13972 6.40562 TIMING: 1928600 CPU: 6170.97, 0.00312881/step Wall: 6170.97, 0.00312881/step, 2.6694 hours remaining, 232.515625 MB of memory in use. ENERGY: 1928600 3919.6547 20669.6686 14497.0366 237.8941 -203142.4097 2177.3548 0.0000 0.0000 52007.4923 -109633.3085 298.8878 -161640.8007 -109265.0417 298.9664 -50.6029 -22.2147 760622.1309 -5.1862 -5.0436 PRESSURE: 1928800 -301.741 221.43 -184.673 221.431 5.14198 46.0358 -184.673 46.0368 0.81558 GPRESSURE: 1928800 -174.012 177.208 -189.384 221.918 -11.0807 90.5069 -100.061 139.092 -29.8639 PRESSAVG: 1928800 25.8252 -27.8699 8.30363 -27.8698 -34.1313 -15.6347 8.30365 -15.6347 -24.6898 GPRESSAVG: 1928800 24.7164 -29.0939 8.47174 -27.7202 -33.5112 -14.0926 9.21834 -13.2559 -23.4497 TIMING: 1928800 CPU: 6171.6, 0.00313291/step Wall: 6171.6, 0.00313291/step, 2.67272 hours remaining, 232.515625 MB of memory in use. ENERGY: 1928800 4030.1625 20600.6137 14506.7176 265.5321 -203766.0559 2668.0223 0.0000 0.0000 52035.4417 -109659.5660 299.0484 -161695.0077 -109301.1096 298.5737 -98.5943 -71.6523 759352.6603 -10.9987 -10.7482 PRESSURE: 1929000 91.4388 -81.8889 64.0193 -81.8887 -47.4803 -228.763 64.0196 -228.763 53.1766 GPRESSURE: 1929000 123.391 13.4956 136.121 -104.789 9.86461 -185.242 -4.38218 -188.59 33.1916 PRESSAVG: 1929000 5.21489 -8.27656 19.1315 -8.27654 -8.20914 -59.3632 19.1316 -59.3632 -11.079 GPRESSAVG: 1929000 4.78597 -8.96949 18.3544 -6.80152 -7.67134 -59.6386 17.898 -58.9436 -10.9108 TIMING: 1929000 CPU: 6172.23, 0.00314262/step Wall: 6172.23, 0.00314262/step, 2.68083 hours remaining, 232.515625 MB of memory in use. ENERGY: 1929000 3975.0239 20423.3561 14536.3219 247.9370 -203350.5780 2330.5675 0.0000 0.0000 52072.4441 -109764.9274 299.2611 -161837.3715 -109399.7544 298.9722 32.3784 55.4826 760425.2653 -4.6911 -4.5987 PRESSURE: 1929200 -57.8622 97.1832 -37.9163 97.1836 148.091 332.584 -37.9165 332.584 372.324 GPRESSURE: 1929200 -0.915963 30.059 -19.0294 92.3793 164.641 270.969 12.8728 246.749 398.108 PRESSAVG: 1929200 14.414 -6.24063 -3.58569 -6.24066 -40.0028 -52.9608 -3.58574 -52.9608 10.7923 GPRESSAVG: 1929200 14.9047 -7.68901 -4.66838 -8.01357 -40.2424 -54.1058 -2.17474 -52.8614 10.5992 TIMING: 1929200 CPU: 6172.85, 0.00312424/step Wall: 6172.85, 0.00312424/step, 2.66498 hours remaining, 232.515625 MB of memory in use. ENERGY: 1929200 4027.3263 20472.3803 14477.5378 234.1240 -203308.6244 2483.0795 0.0000 0.0000 51687.7597 -109926.4168 297.0503 -161614.1765 -109561.0994 298.4885 154.1844 187.2778 761331.1942 -4.9322 -4.9128 PRESSURE: 1929400 -118.763 -74.7282 121.27 -74.7276 -195.273 13.5893 121.27 13.5893 214.149 GPRESSURE: 1929400 -61.3439 -57.4867 82.3655 -29.959 -120.479 48.7818 126.054 4.58536 180.528 PRESSAVG: 1929400 53.7013 -5.98759 -4.68648 -5.98756 -45.2504 33.6663 -4.6865 33.6663 6.00902 GPRESSAVG: 1929400 54.1582 -5.02787 -1.73576 -4.58357 -46.2731 35.2759 -4.66377 31.6057 6.50867 TIMING: 1929400 CPU: 6173.48, 0.00313267/step Wall: 6173.48, 0.00313267/step, 2.67199 hours remaining, 232.515625 MB of memory in use. ENERGY: 1929400 3946.7504 20304.2025 14413.0723 237.1984 -203402.1840 2647.7783 0.0000 0.0000 52056.4737 -109796.7085 299.1693 -161853.1822 -109432.5293 298.1612 -33.2957 -0.4319 761538.4919 4.8200 4.7979 PRESSURE: 1929600 -10.949 -79.5112 -18.6266 -79.5114 77.7269 118.447 -18.6262 118.447 107.537 GPRESSURE: 1929600 35.0461 -72.4515 11.6907 -146.611 169.024 44.6087 -62.6582 90.4393 71.3518 PRESSAVG: 1929600 60.0031 -15.9389 6.86156 -15.9389 -15.7366 11.915 6.8616 11.9151 17.8659 GPRESSAVG: 1929600 59.4899 -16.9545 4.0354 -17.1802 -13.3464 11.695 6.75576 13.0007 15.8306 TIMING: 1929600 CPU: 6174.1, 0.0031317/step Wall: 6174.1, 0.0031317/step, 2.67099 hours remaining, 232.515625 MB of memory in use. ENERGY: 1929600 3984.4765 20438.7145 14461.8842 230.1155 -203460.3386 2648.6320 0.0000 0.0000 51981.9276 -109714.5884 298.7409 -161696.5160 -109358.5353 298.8004 58.1051 91.8072 761733.6853 20.7108 20.6580 PRESSURE: 1929800 170.09 -95.2879 -53.0683 -95.2888 41.726 112.521 -53.068 112.52 -337.911 GPRESSURE: 1929800 247.721 -159.758 -71.751 -180.302 18.93 111.505 47.7081 146.247 -301.201 PRESSAVG: 1929800 47.8531 6.40656 21.1406 6.40654 -51.9578 38.605 21.1406 38.605 3.17254 GPRESSAVG: 1929800 47.8075 5.96302 20.1749 8.40879 -53.5688 40.0341 21.981 39.9877 4.751 TIMING: 1929800 CPU: 6174.73, 0.00312222/step Wall: 6174.73, 0.00312222/step, 2.66273 hours remaining, 232.515625 MB of memory in use. ENERGY: 1929800 3901.3934 20536.9968 14421.6768 233.0236 -203046.2636 2283.9006 0.0000 0.0000 52011.3319 -109657.9404 298.9098 -161669.2723 -109298.7629 298.9307 -42.0318 -11.5166 761545.3593 -0.3107 -0.3368 PRESSURE: 1930000 -380.553 109.838 -31.5066 109.84 -328.711 0.719483 -31.5066 0.719255 -300.994 GPRESSURE: 1930000 -335.337 157.243 -42.3366 49.4325 -323.707 -51.8036 36.6497 7.73332 -264.867 PRESSAVG: 1930000 17.5433 7.49157 49.0224 7.4916 -22.8022 24.5286 49.0225 24.5286 37.5461 GPRESSAVG: 1930000 17.2933 8.74267 51.6474 7.21265 -24.0625 23.4789 47.7866 21.598 38.0306 TIMING: 1930000 CPU: 6175.36, 0.00313576/step Wall: 6175.36, 0.00313576/step, 2.67411 hours remaining, 232.515625 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: 1930000 4016.7054 20603.4128 14456.6879 254.5199 -203293.1858 2411.4557 0.0000 0.0000 52008.2834 -109542.1207 298.8923 -161550.4041 -109176.1419 299.1260 -336.7528 -307.9702 762058.8320 10.7624 10.4205 PRESSURE: 1930200 151.571 -84.8455 26.7339 -84.8466 197.856 49.6977 26.7344 49.6981 468.866 GPRESSURE: 1930200 192.904 -85.8663 28.3803 -119.265 240.426 -20.3794 34.2605 141.778 469.333 PRESSAVG: 1930200 41.2443 20.5706 63.3398 20.5706 -24.8329 -21.1591 63.3397 -21.159 -4.31974 GPRESSAVG: 1930200 40.7265 19.1898 63.2962 21.6313 -22.6867 -22.3207 62.8075 -19.513 -5.34114 TIMING: 1930200 CPU: 6175.98, 0.00312832/step Wall: 6175.98, 0.00312832/step, 2.66759 hours remaining, 232.515625 MB of memory in use. ENERGY: 1930200 3927.6059 20398.8894 14447.4033 233.0917 -203459.7554 2663.5465 0.0000 0.0000 52029.8100 -109759.4084 299.0160 -161789.2185 -109385.3084 299.0321 272.7645 300.8874 761243.2541 4.0306 4.2329 PRESSURE: 1930400 85.1129 27.1453 8.61143 27.1451 -18.3977 -54.1462 8.61158 -54.1453 637.512 GPRESSURE: 1930400 142.779 132.319 -91.2134 -102.602 75.086 -21.1089 -53.0807 -107.716 561.139 PRESSAVG: 1930400 -5.37735 -30.9477 6.53655 -30.9478 -2.85454 -6.67324 6.5366 -6.67318 3.3418 GPRESSAVG: 1930400 -5.31406 -29.6486 5.01588 -33.651 -2.9485 -4.33187 7.22037 -6.99157 3.15388 TIMING: 1930400 CPU: 6176.61, 0.00313657/step Wall: 6176.61, 0.00313657/step, 2.67444 hours remaining, 232.515625 MB of memory in use. ENERGY: 1930400 3939.0133 20479.6062 14486.2556 243.2777 -203466.4085 2596.9555 0.0000 0.0000 51927.0031 -109794.2971 298.4252 -161721.3002 -109445.5740 299.0766 234.7423 259.6679 761024.2560 -1.6300 -1.7029 PRESSURE: 1930600 354.396 11.6549 20.4316 11.655 2.98446 33.8841 20.4313 33.8839 99.4582 GPRESSURE: 1930600 312.202 -4.8465 -25.4448 -114.402 84.7291 29.5545 2.16255 -53.7549 112.744 PRESSAVG: 1930600 73.527 -65.9684 93.3296 -65.9683 -28.8553 -5.4745 93.3295 -5.47445 -18.6905 GPRESSAVG: 1930600 72.8068 -65.1723 93.5533 -65.2987 -29.6503 -7.94991 91.8823 -7.8105 -17.4913 TIMING: 1930600 CPU: 6177.23, 0.00311434/step Wall: 6177.23, 0.00311434/step, 2.65532 hours remaining, 232.515625 MB of memory in use. ENERGY: 1930600 3955.1729 20435.9902 14472.0355 247.7639 -203836.1409 2790.8782 0.0000 0.0000 52228.4157 -109705.8844 300.1574 -161934.3001 -109340.1951 299.0724 152.2797 169.8918 760441.7454 8.6604 8.5551 PRESSURE: 1930800 328.886 8.28909 -35.0115 8.28971 -189.804 77.8199 -35.0115 77.821 58.4236 GPRESSURE: 1930800 405.698 -29.372 21.9923 -6.02856 -143.12 173.421 101.871 136.637 18.2536 PRESSAVG: 1930800 -27.041 -34.9855 -9.75298 -34.9855 -4.22614 -6.52894 -9.75302 -6.52898 -9.7521 GPRESSAVG: 1930800 -25.7542 -35.716 -9.46308 -33.8523 -4.18741 -5.31681 -8.02061 -3.61421 -11.0367 TIMING: 1930800 CPU: 6177.86, 0.00311712/step Wall: 6177.86, 0.00311712/step, 2.65752 hours remaining, 232.515625 MB of memory in use. ENERGY: 1930800 4005.6538 20362.7204 14528.5550 241.8865 -203150.4837 2389.3805 0.0000 0.0000 51835.8618 -109786.4258 297.9014 -161622.2876 -109425.4877 298.4578 65.8351 93.6105 759549.6120 -13.6731 -13.6595 PRESSURE: 1931000 -378.032 55.84 46.6081 55.8399 -183.572 -42.5996 46.6087 -42.6008 -381.205 GPRESSURE: 1931000 -385.176 165.546 129.352 -27.5515 -218.25 -117.696 49.7606 -32.1035 -243.97 PRESSAVG: 1931000 -10.7144 -8.74912 30.6267 -8.74912 -79.8492 14.0924 30.6267 14.0923 7.80387 GPRESSAVG: 1931000 -11.2083 -6.84295 30.6367 -9.24419 -80.8169 12.0454 32.2274 13.3905 9.01178 TIMING: 1931000 CPU: 6178.48, 0.00312051/step Wall: 6178.48, 0.00312051/step, 2.66023 hours remaining, 232.515625 MB of memory in use. ENERGY: 1931000 4045.4661 20425.3831 14462.4975 254.3808 -202611.2037 1922.9944 0.0000 0.0000 52125.2394 -109375.2425 299.5645 -161500.4819 -109006.6221 299.1634 -314.2695 -282.4649 761886.5509 -27.5866 -27.6712 PRESSURE: 1931200 -357.702 -67.1696 -194.199 -67.1696 -187.987 36.2336 -194.2 36.2335 -129.64 GPRESSURE: 1931200 -221.673 -109.341 -254.862 7.60389 -212.809 102.189 -124.562 -28.8405 -171.248 PRESSAVG: 1931200 7.91367 -13.166 -17.8858 -13.166 -49.5134 5.46573 -17.8858 5.46578 2.46098 GPRESSAVG: 1931200 7.28066 -15.0603 -17.3711 -11.5375 -49.2754 7.8757 -21.3653 4.75016 2.1641 TIMING: 1931200 CPU: 6179.11, 0.00313175/step Wall: 6179.11, 0.00313175/step, 2.66965 hours remaining, 232.515625 MB of memory in use. ENERGY: 1931200 4003.4119 20513.7485 14475.4568 239.2718 -202915.0671 2196.1075 0.0000 0.0000 51949.8219 -109537.2487 298.5563 -161487.0707 -109179.0889 299.4034 -225.1096 -201.9102 760701.4069 -13.0462 -13.2769 PRESSURE: 1931400 -102.269 37.2149 48.9975 37.2153 -206.135 -6.3126 48.9974 -6.31178 -457.422 GPRESSURE: 1931400 -73.6879 94.0636 -1.03145 65.5193 -198.008 1.21044 55.8431 -43.8968 -416.508 PRESSAVG: 1931400 17.6654 47.1614 -45.7183 47.1614 -70.5822 -1.99094 -45.7184 -1.99092 1.23568 GPRESSAVG: 1931400 17.6894 46.5548 -44.6666 46.362 -71.1869 -3.43715 -43.6302 -1.52328 1.71213 TIMING: 1931400 CPU: 6179.74, 0.00314726/step Wall: 6179.74, 0.00314726/step, 2.68269 hours remaining, 232.515625 MB of memory in use. ENERGY: 1931400 3939.9548 20421.8177 14481.3281 232.5434 -202821.9658 2096.5577 0.0000 0.0000 52080.6480 -109569.1160 299.3082 -161649.7640 -109204.6896 298.7402 -255.2750 -229.4015 761965.8804 -17.2270 -17.2618 PRESSURE: 1931600 -285.858 -85.8692 -121.843 -85.8694 -38.2279 -150.123 -121.844 -150.123 294.591 GPRESSURE: 1931600 -274.848 -139.491 -122.896 -84.0576 75.0767 -197.224 -27.1584 -154.612 259.576 PRESSAVG: 1931600 64.4401 -45.1298 -77.6627 -45.1298 -50.1602 23.0505 -77.6627 23.0504 6.16124 GPRESSAVG: 1931600 65.4149 -45.8228 -78.0103 -44.8978 -49.0621 22.6709 -78.5337 23.059 4.61587 TIMING: 1931600 CPU: 6180.36, 0.00314306/step Wall: 6180.36, 0.00314306/step, 2.67893 hours remaining, 232.515625 MB of memory in use. ENERGY: 1931600 4035.8663 20240.6006 14432.0751 255.2261 -203318.7329 2573.7289 0.0000 0.0000 51997.3761 -109783.8598 298.8296 -161781.2359 -109416.5659 299.1493 -9.8317 19.9349 761992.8173 6.8137 6.9895 PRESSURE: 1931800 -25.8642 -47.0065 -45.1304 -47.0069 162.098 222.697 -45.1299 222.698 109.615 GPRESSURE: 1931800 33.9837 -41.1893 -15.4004 24.8702 253.001 217.602 -66.0919 231.388 60.2403 PRESSAVG: 1931800 60.6032 13.951 -51.8616 13.9511 -12.1146 -8.81005 -51.8615 -8.80995 15.3551 GPRESSAVG: 1931800 61.2756 13.925 -51.6036 14.0427 -13.4903 -7.79236 -51.3457 -9.06616 15.9635 TIMING: 1931800 CPU: 6180.99, 0.00314015/step Wall: 6180.99, 0.00314015/step, 2.67628 hours remaining, 232.515625 MB of memory in use. ENERGY: 1931800 3954.1321 20427.1273 14439.1926 228.2325 -203645.0085 2767.1771 0.0000 0.0000 52069.8510 -109759.2960 299.2461 -161829.1470 -109395.4247 298.5581 81.9495 115.7416 763213.1868 21.2812 21.2496 PRESSURE: 1932000 341.258 -69.969 -9.4747 -69.9688 485.661 86.5324 -9.47463 86.534 298.392 GPRESSURE: 1932000 403.729 -63.5463 -19.1294 -16.2094 521.375 54.0589 -44.5318 102.171 278.024 PRESSAVG: 1932000 38.7377 4.13769 41.7046 4.13765 -24.9992 -14.4501 41.7046 -14.4501 9.31602 GPRESSAVG: 1932000 37.152 5.80282 41.1652 3.5268 -24.6003 -15.3499 41.2476 -14.695 9.78422 TIMING: 1932000 CPU: 6181.62, 0.00313087/step Wall: 6181.62, 0.00313087/step, 2.66819 hours remaining, 232.515625 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: 1932000 3974.0760 20504.1011 14459.1851 244.1091 -203745.5564 2788.1408 0.0000 0.0000 52013.2780 -109762.6662 298.9210 -161775.9443 -109402.3932 299.1216 375.1037 401.0425 759847.0265 7.6849 7.4453 PRESSURE: 1932200 -87.2733 -95.0055 66.0944 -95.0048 171.607 -43.4594 66.0949 -43.4602 219.945 GPRESSURE: 1932200 -42.0318 -113.47 127.491 -80.7515 181.85 -64.4693 71.1162 11.3838 233.262 PRESSAVG: 1932200 56.6044 -27.4345 47.7742 -27.4345 -66.8458 -11.9117 47.7742 -11.9117 -2.41024 GPRESSAVG: 1932200 58.8016 -27.0619 46.3433 -28.1046 -68.0178 -11.1112 49.1468 -11.2719 -3.14318 TIMING: 1932200 CPU: 6182.24, 0.00312298/step Wall: 6182.24, 0.00312298/step, 2.6613 hours remaining, 232.515625 MB of memory in use. ENERGY: 1932200 4008.5107 20535.0957 14401.2697 242.8096 -204077.1153 2891.5930 0.0000 0.0000 52188.8358 -109809.0008 299.9300 -161997.8365 -109445.8837 298.9932 101.4260 124.3602 760648.6222 -4.2172 -4.1198 LDB: ============= START OF LOAD BALANCING ============== 6194.66 LDB: ============== END OF LOAD BALANCING =============== 6194.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6194.67 LDB: ============= START OF LOAD BALANCING ============== 6194.98 LDB: Largest compute 7069 load 0.035749 is 18.3% of average load 0.195495 LDB: Average compute 0.004382 is 2.2% of average load 0.195495 LDB: TIME 6194.98 LOAD: AVG 0.195495 MAX 0.213303 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.227 MB LDB: TIME 6194.98 LOAD: AVG 0.195495 MAX 0.213303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.23 MB LDB: TIME 6194.98 LOAD: AVG 0.195495 MAX 0.213303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.23 MB LDB: ============== END OF LOAD BALANCING =============== 6194.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6194.99 PRESSURE: 1932400 183.447 -92.5951 -125.487 -92.5953 12.155 134.273 -125.488 134.273 156.358 GPRESSURE: 1932400 192.285 -121.418 -131.77 -5.0287 78.455 82.1451 -166.772 258.69 158.107 PRESSAVG: 1932400 32.4346 -64.187 -21.4568 -64.187 -55.6935 -27.727 -21.4568 -27.727 -11.0005 GPRESSAVG: 1932400 31.8272 -66.297 -19.1608 -63.8818 -54.4914 -28.2728 -22.7966 -28.9197 -10.9579 TIMING: 1932400 CPU: 6182.88, 0.0032013/step Wall: 6182.88, 0.0032013/step, 2.72786 hours remaining, 231.425781 MB of memory in use. ENERGY: 1932400 3900.9113 20379.1106 14454.1369 257.7857 -203437.1559 2587.0195 0.0000 0.0000 52025.8989 -109832.2930 298.9936 -161858.1918 -109465.4524 298.4980 117.3201 142.9488 759554.6141 -11.4198 -11.2074 PRESSURE: 1932600 -74.7123 -57.4578 215.983 -57.457 448.275 84.1998 215.983 84.2001 -5.40123 GPRESSURE: 1932600 -50.5443 -45.9629 245.458 -27.3957 486.727 59.9308 140.621 132.289 19.8944 PRESSAVG: 1932600 29.8819 -19.4698 -0.418063 -19.4698 -39.2351 -17.2016 -0.418048 -17.2017 1.79401 GPRESSAVG: 1932600 30.821 -18.0047 0.0648587 -17.5346 -40.3325 -17.2048 -3.52455 -15.9854 1.96831 TIMING: 1932600 CPU: 6183.51, 0.00312525/step Wall: 6183.51, 0.00312525/step, 2.66289 hours remaining, 231.425781 MB of memory in use. ENERGY: 1932600 3934.5207 20505.9477 14472.7259 224.5343 -203306.3035 2359.5553 0.0000 0.0000 52061.3387 -109747.6808 299.1972 -161809.0195 -109380.2684 298.7902 122.7204 152.0258 758312.0780 -2.5197 -2.5144 PRESSURE: 1932800 -299.124 -121.487 134.384 -121.486 -65.1357 66.7831 134.384 66.7833 237.092 GPRESSURE: 1932800 -321.791 -74.9676 174.882 -6.07833 -88.0339 -6.1743 81.252 54.3712 390.935 PRESSAVG: 1932800 -22.2694 -15.6633 54.0036 -15.6634 7.27308 -50.9397 54.0036 -50.9397 -2.86245 GPRESSAVG: 1932800 -23.8457 -16.2163 53.2288 -17.3516 8.48734 -51.5843 55.0973 -50.6435 -2.36809 TIMING: 1932800 CPU: 6184.13, 0.00311691/step Wall: 6184.13, 0.00311691/step, 2.65561 hours remaining, 231.425781 MB of memory in use. ENERGY: 1932800 3963.7119 20438.8366 14444.0964 247.6261 -203430.2315 2478.4015 0.0000 0.0000 51936.9508 -109920.6082 298.4824 -161857.5590 -109557.2529 298.8201 -42.3894 -6.2967 761068.5739 -5.9529 -5.9088 PRESSURE: 1933000 -145.957 -4.58287 17.4183 -4.58327 176.682 -124.487 17.4179 -124.487 66.1768 GPRESSURE: 1933000 -89.1785 111.571 -5.62235 32.0894 245.525 -52.229 126.848 -90.4849 11.0775 PRESSAVG: 1933000 20.9596 -36.8274 16.2797 -36.8274 -20.4828 40.9429 16.2797 40.943 10.1464 GPRESSAVG: 1933000 21.7992 -35.743 14.7235 -36.7503 -21.4117 41.1793 21.0287 41.1217 10.1439 TIMING: 1933000 CPU: 6184.75, 0.00311514/step Wall: 6184.75, 0.00311514/step, 2.65393 hours remaining, 231.425781 MB of memory in use. ENERGY: 1933000 4014.3630 20273.0009 14453.4404 237.7715 -203816.2518 2817.4091 0.0000 0.0000 51987.6202 -110032.6468 298.7736 -162020.2670 -109681.5862 298.7115 32.3008 55.8080 761372.3523 3.5411 3.5104 PRESSURE: 1933200 116.321 -143.996 124.275 -143.995 397.841 85.2468 124.275 85.2462 -3.26664 GPRESSURE: 1933200 114.327 -27.7102 58.046 -92.3664 495.479 97.9027 186.347 117.723 -22.3399 PRESSAVG: 1933200 22.3744 -10.9846 13.2088 -10.9846 -46.2175 22.9803 13.2088 22.9803 21.2052 GPRESSAVG: 1933200 22.0061 -11.5499 14.3552 -11.5211 -45.2766 23.162 10.0001 22.4954 20.395 TIMING: 1933200 CPU: 6185.38, 0.00314438/step Wall: 6185.38, 0.00314438/step, 2.67866 hours remaining, 231.425781 MB of memory in use. ENERGY: 1933200 3915.7481 20440.4340 14474.0551 237.5580 -204158.0573 2934.6967 0.0000 0.0000 52016.4262 -110139.1392 298.9391 -162155.5654 -109772.4995 297.8323 170.2982 195.8217 760248.2430 -0.8793 -0.9585 PRESSURE: 1933400 123.188 156.979 -23.8862 156.979 72.6119 -226.023 -23.8872 -226.023 -272.033 GPRESSURE: 1933400 157.831 149.087 -113.343 142.863 108.31 -196.488 25.2597 -192.102 -243.073 PRESSAVG: 1933400 7.46785 -27.4004 -10.2097 -27.4005 -19.1123 35.8959 -10.2097 35.8959 8.90614 GPRESSAVG: 1933400 7.49661 -26.9043 -12.9908 -26.2064 -20.0323 35.0518 -9.05781 36.115 10.1832 TIMING: 1933400 CPU: 6186.01, 0.00314001/step Wall: 6186.01, 0.00314001/step, 2.67476 hours remaining, 231.425781 MB of memory in use. ENERGY: 1933400 3949.1476 20486.5511 14504.5785 258.8364 -203453.9103 2572.3831 0.0000 0.0000 51784.2829 -109898.1306 297.6050 -161682.4135 -109537.3743 298.5196 -25.4109 7.6892 759075.5591 -0.9128 -0.7842 PRESSURE: 1933600 -57.3096 -209.406 9.05367 -209.404 218.102 30.3863 9.05418 30.3857 -113.98 GPRESSURE: 1933600 -34.7651 -125.889 26.4778 -155.232 171.257 15.7837 -13.9461 -74.1152 10.2649 PRESSAVG: 1933600 0.234323 3.91977 25.5894 3.91982 14.4464 -24.4159 25.5893 -24.416 23.849 GPRESSAVG: 1933600 0.889514 5.33684 28.1235 1.83593 14.4943 -24.252 23.6467 -25.824 23.4611 TIMING: 1933600 CPU: 6186.64, 0.00315614/step Wall: 6186.64, 0.00315614/step, 2.68833 hours remaining, 231.425781 MB of memory in use. ENERGY: 1933600 3885.9324 20487.0422 14481.5612 242.4029 -203064.4195 2357.6014 0.0000 0.0000 51710.5281 -109899.3512 297.1811 -161609.8793 -109544.9167 298.5310 15.6042 48.9190 760241.9675 12.8432 12.9483 PRESSURE: 1933800 -89.4798 170.078 -111.264 170.077 -50.0875 40.8788 -111.264 40.8797 -285.038 GPRESSURE: 1933800 -61.1856 41.8091 -8.59594 134.119 -29.6685 97.2315 -50.9566 155.51 -257.805 PRESSAVG: 1933800 37.1866 5.27177 -33.7263 5.27175 -23.6975 1.33251 -33.7263 1.33238 26.8413 GPRESSAVG: 1933800 36.3821 4.07045 -34.7966 6.25555 -24.026 3.2818 -32.7391 1.31228 27.679 TIMING: 1933800 CPU: 6187.27, 0.00312008/step Wall: 6187.27, 0.00312009/step, 2.65745 hours remaining, 231.425781 MB of memory in use. ENERGY: 1933800 4014.2333 20369.3189 14409.3348 225.1611 -203388.6219 2495.0764 0.0000 0.0000 52083.2869 -109792.2106 299.3234 -161875.4974 -109439.4685 299.1535 -141.5353 -116.2198 760986.4247 13.4435 13.3450 PRESSURE: 1934000 220.28 -137.59 -109.025 -137.589 384.962 -64.4743 -109.024 -64.4747 428.897 GPRESSURE: 1934000 308.172 -216.615 -112.088 -55.8701 357.937 -103.263 -78.7737 -65.0889 450.841 PRESSAVG: 1934000 -18.7268 -9.60751 6.9768 -9.6074 -11.9886 14.4158 6.97682 14.4158 12.0167 GPRESSAVG: 1934000 -18.4225 -11.038 5.347 -8.80551 -11.6727 13.4672 7.73112 15.7033 10.912 TIMING: 1934000 CPU: 6187.89, 0.00311409/step Wall: 6187.89, 0.00311409/step, 2.65217 hours remaining, 231.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1934000 3919.7756 20378.0495 14453.5339 257.9947 -203490.4357 2695.8657 0.0000 0.0000 52143.9489 -109641.2674 299.6720 -161785.2163 -109267.3389 299.0251 344.7130 372.3169 760066.7265 -6.2329 -6.3944 PRESSURE: 1934200 83.2115 -198.165 -113.734 -198.165 -255.537 267.015 -113.733 267.016 168.841 GPRESSURE: 1934200 157.069 -218.349 -123.228 -134.09 -274.625 173.512 -38.4308 197.713 189.449 PRESSAVG: 1934200 10.0282 -48.5803 41.4998 -48.5803 -11.6206 -24.5024 41.4999 -24.5024 25.5548 GPRESSAVG: 1934200 10.8558 -47.9298 42.4371 -49.7136 -13.4966 -23.2687 41.2476 -26.5919 26.4072 TIMING: 1934200 CPU: 6188.52, 0.00316398/step Wall: 6188.52, 0.00316398/step, 2.69448 hours remaining, 231.425781 MB of memory in use. ENERGY: 1934200 3963.8471 20407.9648 14383.4374 241.3867 -203330.2141 2567.2216 0.0000 0.0000 52060.7519 -109705.6047 299.1939 -161766.3566 -109346.5548 299.0107 -1.1614 23.9644 759588.6411 7.9875 7.9221 PRESSURE: 1934400 -174.034 41.1769 4.4773 41.1767 187.852 27.611 4.47725 27.6104 21.1954 GPRESSURE: 1934400 -113.001 110.573 -78.7114 88.7425 195.378 -25.2892 57.3022 68.2153 45.6436 PRESSAVG: 1934400 16.3786 -37.8515 -43.5854 -37.8515 33.4965 25.4257 -43.5855 25.4255 4.04261 GPRESSAVG: 1934400 17.2008 -38.3162 -42.4886 -35.6275 33.1138 25.0819 -43.1983 24.833 3.64718 TIMING: 1934400 CPU: 6189.15, 0.00314571/step Wall: 6189.15, 0.00314571/step, 2.67875 hours remaining, 231.425781 MB of memory in use. ENERGY: 1934400 3966.6935 20512.1699 14474.3623 245.6980 -203092.8337 2403.4479 0.0000 0.0000 51874.8118 -109615.6502 298.1253 -161490.4620 -109258.9017 299.3127 11.6711 42.6735 760877.5512 17.9726 17.9873 PRESSURE: 1934600 218.5 163.261 60.3333 163.261 187.076 -67.7179 60.3337 -67.7192 -61.706 GPRESSURE: 1934600 310.22 187.11 45.7069 171.698 134.306 -19.3077 15.8715 -124.865 -0.614954 PRESSAVG: 1934600 7.40478 -14.4542 -8.33048 -14.4542 -17.2285 -8.37 -8.33043 -8.36999 -9.18924 GPRESSAVG: 1934600 5.5334 -14.0153 -9.9562 -16.8099 -15.1586 -6.6203 -9.55875 -7.39249 -9.13954 TIMING: 1934600 CPU: 6189.78, 0.00313821/step Wall: 6189.78, 0.00313821/step, 2.67219 hours remaining, 231.425781 MB of memory in use. ENERGY: 1934600 3926.1832 20316.0887 14446.6105 242.5950 -203459.2153 2872.2280 0.0000 0.0000 52363.2051 -109292.3048 300.9321 -161655.5099 -108922.7685 299.8015 114.6234 147.9702 761602.3129 -6.3376 -6.2549 PRESSURE: 1934800 -41.0878 -63.7971 -42.0917 -63.7964 44.3907 -60.4919 -42.0908 -60.4916 376.682 GPRESSURE: 1934800 72.4534 -128.671 -75.1205 -91.8973 27.3078 -68.1008 51.6324 -22.7088 363.456 PRESSAVG: 1934800 25.3448 16.1723 -32.7848 16.1723 -63.5016 -13.5846 -32.7847 -13.5846 -8.02077 GPRESSAVG: 1934800 26.2166 16.4589 -30.7154 14.7963 -64.29 -16.4575 -33.311 -13.3615 -7.72183 TIMING: 1934800 CPU: 6190.4, 0.00312428/step Wall: 6190.4, 0.00312428/step, 2.66015 hours remaining, 231.425781 MB of memory in use. ENERGY: 1934800 3862.2260 20605.0701 14401.0053 215.0830 -203495.9889 2802.9169 0.0000 0.0000 52218.9594 -109390.7283 300.1031 -161609.6877 -109022.4123 299.7925 126.6616 154.4059 762228.0359 -15.3925 -15.2651 PRESSURE: 1935000 206.541 -16.3771 54.9491 -16.3774 178.363 51.5501 54.9496 51.5492 -66.8031 GPRESSURE: 1935000 206.368 -20.3907 34.3141 -17.3687 176.635 14.4419 2.65929 61.8076 10.4497 PRESSAVG: 1935000 33.7189 3.9935 22.2632 3.9935 22.376 -24.6026 22.2632 -24.6027 34.8727 GPRESSAVG: 1935000 34.2802 2.30248 19.5011 7.44709 22.2198 -24.3566 22.7477 -24.2995 34.1262 TIMING: 1935000 CPU: 6191.03, 0.00311052/step Wall: 6191.03, 0.00311052/step, 2.64826 hours remaining, 231.425781 MB of memory in use. ENERGY: 1935000 3932.0841 20604.1403 14501.1730 255.1925 -203409.3901 2717.4223 0.0000 0.0000 52241.5130 -109157.8649 300.2327 -161399.3779 -108790.1632 300.2635 106.0335 131.1509 760522.0233 30.3225 30.2087 PRESSURE: 1935200 -26.1992 63.0318 -83.2964 63.0322 144.55 74.8628 -83.2965 74.8621 -120.172 GPRESSURE: 1935200 8.81838 39.9126 -179.901 105.655 186.366 31.2871 26.3147 110.756 -103.628 PRESSAVG: 1935200 -70.7161 -39.5313 -53.9252 -39.5314 36.0494 28.3083 -53.9252 28.3083 7.53705 GPRESSAVG: 1935200 -70.9363 -36.3777 -51.044 -39.4064 35.8121 28.1301 -54.75 26.1928 8.05218 TIMING: 1935200 CPU: 6191.65, 0.00309503/step Wall: 6191.65, 0.00309503/step, 2.6349 hours remaining, 231.425781 MB of memory in use. ENERGY: 1935200 3925.1878 20473.4616 14467.7816 288.8911 -203167.3517 2603.5223 0.0000 0.0000 52168.2440 -109240.2633 299.8116 -161408.5073 -108883.0814 300.2354 -0.6071 30.5190 762178.4142 -9.0432 -9.0240 PRESSURE: 1935400 242.696 -25.6637 -56.7171 -25.663 -176.85 -242.341 -56.7174 -242.341 501.451 GPRESSURE: 1935400 183.766 -24.5608 -54.2024 -129.548 -58.3197 -265.585 52.3616 -27.0845 515.083 PRESSAVG: 1935400 -5.04861 -26.2614 -40.3251 -26.2614 4.5073 -65.7314 -40.3251 -65.7314 -26.8597 GPRESSAVG: 1935400 -5.61234 -27.0809 -41.5035 -29.3069 5.79151 -63.5591 -38.6573 -61.7611 -27.0575 TIMING: 1935400 CPU: 6192.27, 0.00314349/step Wall: 6192.27, 0.00314349/step, 2.67598 hours remaining, 231.425781 MB of memory in use. ENERGY: 1935400 3908.1446 20585.3655 14479.1298 259.6943 -203507.2523 2748.1765 0.0000 0.0000 52158.0269 -109368.7148 299.7529 -161526.7417 -109013.7863 300.0626 189.0990 213.5099 761235.4240 -9.1337 -8.9594 PRESSURE: 1935600 -3.45121 -158.249 -37.0092 -158.249 325.561 -115.039 -37.0084 -115.039 127.533 GPRESSURE: 1935600 103.43 -157.325 -39.4517 -175.563 231.665 -116.534 -8.10898 -149.056 198.915 PRESSAVG: 1935600 -5.92318 -16.028 -7.68771 -16.0281 25.9593 -1.15703 -7.68767 -1.15702 17.974 GPRESSAVG: 1935600 -5.10069 -19.5101 -6.80328 -14.9872 24.5478 -3.42716 -10.6234 -1.57005 17.7644 TIMING: 1935600 CPU: 6192.9, 0.00314224/step Wall: 6192.9, 0.00314224/step, 2.67474 hours remaining, 231.425781 MB of memory in use. ENERGY: 1935600 3994.6299 20388.8398 14454.7607 242.4951 -203555.0151 2590.5430 0.0000 0.0000 52367.6033 -109516.1433 300.9573 -161883.7466 -109144.2187 299.6736 149.8808 178.0035 759287.1351 12.6700 12.4038 PRESSURE: 1935800 91.0478 59.0894 -29.1304 59.089 -127.539 -203.169 -29.1296 -203.171 -9.24327 GPRESSURE: 1935800 109.192 34.3726 29.6244 118.439 -57.3129 -131.459 -52.1716 -178.299 1.55251 PRESSAVG: 1935800 27.1559 -56.6857 -24.2658 -56.6857 -9.95681 63.1336 -24.2658 63.1336 21.3503 GPRESSAVG: 1935800 26.0928 -53.6307 -23.611 -57.4339 -10.432 62.232 -23.0967 60.7491 22.689 TIMING: 1935800 CPU: 6193.53, 0.00314143/step Wall: 6193.53, 0.00314143/step, 2.67388 hours remaining, 231.425781 MB of memory in use. ENERGY: 1935800 3974.3376 20514.9261 14424.7934 234.5203 -203435.2414 2504.6532 0.0000 0.0000 52219.9267 -109562.0842 300.1086 -161782.0108 -109210.6482 299.3780 -15.2449 17.8105 758471.4189 12.8498 12.7833 PRESSURE: 1936000 56.7894 -10.3378 -130.117 -10.3381 87.1798 170.439 -130.118 170.439 -176.953 GPRESSURE: 1936000 51.8345 -60.8925 -235.999 61.7631 172.456 169.397 -54.5277 178.998 -157.722 PRESSAVG: 1936000 2.83535 -64.4955 -26.3231 -64.4955 17.0214 49.6141 -26.3232 49.6141 -17.8162 GPRESSAVG: 1936000 1.74951 -65.0666 -25.4663 -64.3495 18.7845 51.1711 -25.2266 49.8647 -18.3325 TIMING: 1936000 CPU: 6194.16, 0.00314466/step Wall: 6194.16, 0.00314466/step, 2.67646 hours remaining, 231.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1936000 3967.2869 20369.6243 14468.9268 244.2044 -203328.6051 2413.0109 0.0000 0.0000 52154.8102 -109710.7416 299.7344 -161865.5518 -109335.8583 299.1454 -10.9945 22.1898 761270.6898 0.6802 0.7338 PRESSURE: 1936200 -319.927 -21.1649 -167.033 -21.1647 -12.9388 -188.405 -167.033 -188.405 -444.695 GPRESSURE: 1936200 -231.729 -13.8814 -122.085 9.67305 -37.8501 -282.576 -284.151 -233.022 -411.084 PRESSAVG: 1936200 -28.038 -73.0658 20.4428 -73.0658 6.18507 53.5571 20.4429 53.5571 17.1723 GPRESSAVG: 1936200 -26.138 -73.9983 18.5516 -73.2862 5.40913 52.8668 19.9241 52.9338 16.2811 TIMING: 1936200 CPU: 6194.79, 0.00314666/step Wall: 6194.79, 0.00314666/step, 2.67799 hours remaining, 231.425781 MB of memory in use. ENERGY: 1936200 3986.8671 20525.0230 14470.5260 238.3220 -203737.9515 2672.7634 0.0000 0.0000 52152.3635 -109692.0865 299.7203 -161844.4500 -109328.5523 299.5071 -259.1872 -226.8878 761997.6575 -1.5602 -1.4826 LDB: ============= START OF LOAD BALANCING ============== 6207.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6207.21 LDB: =============== DONE WITH MIGRATION ================ 6207.21 LDB: ============= START OF LOAD BALANCING ============== 6207.53 LDB: Largest compute 7032 load 0.032432 is 16.6% of average load 0.195466 LDB: Average compute 0.004381 is 2.2% of average load 0.195466 LDB: TIME 6207.53 LOAD: AVG 0.195466 MAX 0.212378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.457 MB LDB: TIME 6207.53 LOAD: AVG 0.195466 MAX 0.212378 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.457 MB LDB: TIME 6207.53 LOAD: AVG 0.195466 MAX 0.212378 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.457 MB LDB: ============== END OF LOAD BALANCING =============== 6207.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6207.54 PRESSURE: 1936400 -371.906 -243.08 55.6596 -243.08 -398.974 147.269 55.6599 147.269 73.7909 GPRESSURE: 1936400 -298.569 -240.705 13.0757 -157.08 -387.109 134.885 143.403 172.394 63.5012 PRESSAVG: 1936400 -51.7849 -1.478 40.1557 -1.47801 17.2217 24.6669 40.1557 24.6668 25.034 GPRESSAVG: 1936400 -51.486 -2.7502 40.1096 0.67913 16.1397 25.0966 40.8078 24.8008 25.7544 TIMING: 1936400 CPU: 6195.43, 0.00320679/step Wall: 6195.43, 0.00320679/step, 2.72898 hours remaining, 233.613281 MB of memory in use. ENERGY: 1936400 4018.2813 20554.4534 14341.0478 234.8015 -203485.2218 2397.7115 0.0000 0.0000 52226.2557 -109712.6707 300.1450 -161938.9264 -109352.6009 299.1757 -232.3630 -207.3921 761100.9493 -3.1764 -3.1973 PRESSURE: 1936600 -129.063 -171.429 29.7028 -171.429 -79.8303 -52.8786 29.7031 -52.8789 200.621 GPRESSURE: 1936600 -135.227 -182.267 40.0353 -122.645 -63.0402 -115.543 75.1178 -30.7587 257.454 PRESSAVG: 1936600 -49.5481 -33.4561 78.9717 -33.4562 33.43 -17.3976 78.9717 -17.3975 15.6777 GPRESSAVG: 1936600 -50.5835 -32.8235 79.8842 -34.2573 34.3529 -16.5973 79.3603 -17.0294 15.2848 TIMING: 1936600 CPU: 6196.06, 0.00312529/step Wall: 6196.06, 0.00312529/step, 2.65945 hours remaining, 233.812500 MB of memory in use. ENERGY: 1936600 4038.4005 20502.2275 14392.0983 245.3172 -203667.0574 2764.8254 0.0000 0.0000 52053.9038 -109670.2847 299.1545 -161724.1885 -109315.0474 299.2056 -2.7573 19.7290 760794.9652 -0.1468 -0.3153 PRESSURE: 1936800 -8.59364 -76.694 -135.426 -76.6937 -424.142 -37.2997 -135.426 -37.2992 -194.024 GPRESSURE: 1936800 -48.6177 47.9134 -118.598 -87.4371 -186.101 -16.0795 -192.673 33.1932 -303.416 PRESSAVG: 1936800 28.2031 -7.89812 -5.2133 -7.89809 -23.5357 24.1822 -5.21327 24.1822 -13.5738 GPRESSAVG: 1936800 27.6065 -4.83838 -5.82348 -6.05022 -22.4847 23.3968 -6.34058 24.5951 -13.9643 TIMING: 1936800 CPU: 6196.69, 0.00316861/step Wall: 6196.69, 0.00316861/step, 2.69614 hours remaining, 233.812500 MB of memory in use. ENERGY: 1936800 3964.8989 20433.9540 14479.7142 245.1533 -203291.5567 2347.7533 0.0000 0.0000 52149.3957 -109670.6873 299.7033 -161820.0830 -109307.3724 299.4297 -208.9200 -179.3782 758139.6097 -2.9688 -2.9475 PRESSURE: 1937000 -77.0406 42.8716 -67.0176 42.8727 -60.64 -47.8247 -67.0181 -47.8246 313.74 GPRESSURE: 1937000 -2.17636 33.7822 -4.59913 -13.7119 -18.7058 51.4898 -58.5028 -77.2091 273.006 PRESSAVG: 1937000 16.1856 -4.60847 13.0536 -4.60839 -10.5869 24.3529 13.0536 24.3529 22.087 GPRESSAVG: 1937000 17.7241 -7.27078 13.7655 -6.51375 -12.215 23.9303 11.8048 23.947 22.1978 TIMING: 1937000 CPU: 6197.32, 0.00314229/step Wall: 6197.32, 0.00314229/step, 2.67357 hours remaining, 233.812500 MB of memory in use. ENERGY: 1937000 3968.0426 20435.6525 14486.1313 232.1624 -203189.5908 2464.2671 0.0000 0.0000 51986.8495 -109616.4855 298.7691 -161603.3350 -109248.4656 299.1182 58.6866 84.0413 760943.3448 9.2286 9.2356 PRESSURE: 1937200 -112.327 10.4818 -24.5843 10.482 -188.434 -184.195 -24.5836 -184.195 122.581 GPRESSURE: 1937200 78.888 -10.4702 -55.8627 -58.9925 -251.36 -232.391 53.7663 -48.967 90.4703 PRESSAVG: 1937200 17.7093 10.4278 11.1152 10.4277 11.8186 21.1181 11.1151 21.1181 -3.67104 GPRESSAVG: 1937200 17.3766 11.6041 11.1852 9.52956 11.7147 20.609 11.8307 20.7661 -3.3605 TIMING: 1937200 CPU: 6197.94, 0.00313502/step Wall: 6197.94, 0.00313502/step, 2.66721 hours remaining, 233.812500 MB of memory in use. ENERGY: 1937200 4048.6016 20468.4901 14453.0291 248.6352 -203438.4792 2392.1553 0.0000 0.0000 52112.4214 -109715.1466 299.4908 -161827.5680 -109340.8137 298.9461 -59.3933 -27.3338 760807.8379 8.6189 8.5769 PRESSURE: 1937400 -208.067 -107.67 71.719 -107.67 -87.9702 98.769 71.7189 98.7696 -168.246 GPRESSURE: 1937400 -66.4229 -40.5239 36.7462 -78.2205 -90.5229 136.373 96.9704 49.7048 -212.269 PRESSAVG: 1937400 27.6955 -19.7483 -0.128519 -19.7483 -21.7213 24.4626 -0.128578 24.4626 1.30774 GPRESSAVG: 1937400 29.5892 -20.6841 -3.03071 -17.6949 -21.4682 23.3631 2.23466 23.6167 -0.719511 TIMING: 1937400 CPU: 6198.57, 0.00312875/step Wall: 6198.57, 0.00312875/step, 2.6617 hours remaining, 233.812500 MB of memory in use. ENERGY: 1937400 3993.1052 20518.5737 14427.9767 258.0627 -203810.5061 2643.7877 0.0000 0.0000 52158.3301 -109810.6699 299.7546 -161969.0000 -109446.3625 298.8883 -154.7613 -123.0715 759482.8991 2.4273 2.4672 PRESSURE: 1937600 12.3045 214.191 -83.2012 214.191 -75.8038 -151.717 -83.2009 -151.717 113.175 GPRESSURE: 1937600 9.38439 161.182 -60.5776 131.626 -83.9976 -108.468 -152.791 -132.336 173.707 PRESSAVG: 1937600 -5.14505 39.2679 32.3495 39.2679 12.7489 -40.8701 32.3494 -40.87 -12.358 GPRESSAVG: 1937600 -7.63322 39.2028 33.8608 40.5843 13.9935 -40.3105 30.3677 -39.6281 -11.1635 TIMING: 1937600 CPU: 6199.2, 0.00312929/step Wall: 6199.2, 0.00312929/step, 2.66198 hours remaining, 233.812500 MB of memory in use. ENERGY: 1937600 4069.7570 20490.9163 14430.9721 233.2153 -203552.1582 2639.9014 0.0000 0.0000 52047.0346 -109640.3615 299.1150 -161687.3961 -109283.6785 299.1500 16.5587 33.0312 761924.7908 -1.5847 -1.6011 PRESSURE: 1937800 -15.4901 -24.2364 -179.221 -24.236 -113.183 122.771 -179.221 122.769 -162.825 GPRESSURE: 1937800 29.9427 30.6366 -131.327 62.1321 -13.1422 166.805 5.24404 42.6966 -214.184 PRESSAVG: 1937800 41.2339 28.0583 35.127 28.0583 5.95678 7.75739 35.127 7.75734 1.71508 GPRESSAVG: 1937800 40.9824 27.7582 35.4434 28.0346 5.73475 7.72969 36.632 7.37865 2.26467 TIMING: 1937800 CPU: 6199.82, 0.0031143/step Wall: 6199.82, 0.0031143/step, 2.64906 hours remaining, 233.812500 MB of memory in use. ENERGY: 1937800 4007.7315 20421.8057 14415.1386 246.8396 -203187.1255 2338.0035 0.0000 0.0000 52109.6756 -109647.9310 299.4750 -161757.6066 -109287.2880 299.1839 -97.1659 -65.7946 761662.5237 16.3019 16.3273 PRESSURE: 1938000 -48.9484 -18.9146 55.2041 -18.9142 -39.5425 114.837 55.203 114.835 246.255 GPRESSURE: 1938000 -66.2131 -42.6723 119.675 5.19396 15.5978 46.2595 -158.818 51.461 292.071 PRESSAVG: 1938000 3.07122 -53.5039 13.4344 -53.5039 20.9573 33.8589 13.4343 33.859 1.87942 GPRESSAVG: 1938000 4.13668 -52.8785 13.0158 -54.9538 20.4658 34.273 11.0771 31.9644 1.42731 TIMING: 1938000 CPU: 6200.44, 0.00312006/step Wall: 6200.44, 0.00312006/step, 2.65378 hours remaining, 233.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1938000 4016.7204 20364.0568 14445.5207 258.8456 -203140.0113 2433.5876 0.0000 0.0000 51899.2148 -109722.0657 298.2655 -161621.2804 -109351.0744 298.9167 52.5879 80.4851 760536.2695 8.6360 8.6766 PRESSURE: 1938200 47.055 -32.2767 214.586 -32.2769 217.928 156.137 214.585 156.136 -6.26463 GPRESSURE: 1938200 148.854 -86.7679 142.633 15.0372 234.105 182.793 253.372 203.588 -18.858 PRESSAVG: 1938200 41.3103 -17.2173 38.6284 -17.2173 -14.2957 55.5016 38.6285 55.5017 5.1086 GPRESSAVG: 1938200 41.2344 -16.7881 39.7529 -16.8556 -13.5374 55.2546 38.1642 57.9796 4.71886 TIMING: 1938200 CPU: 6201.07, 0.00312093/step Wall: 6201.07, 0.00312093/step, 2.65435 hours remaining, 233.812500 MB of memory in use. ENERGY: 1938200 4000.8424 20497.6214 14454.9323 247.5747 -203564.9452 2561.8138 0.0000 0.0000 52235.8681 -109566.2927 300.2003 -161802.1608 -109189.7201 299.1905 86.2395 121.3669 760755.0573 10.7078 10.8053 PRESSURE: 1938400 122.994 -172.012 -262.194 -172.012 -12.7888 -82.3571 -262.194 -82.3558 96.6896 GPRESSURE: 1938400 252.439 -167.883 -280.847 -115.852 -65.304 -192.064 -181.469 -27.8059 108.352 PRESSAVG: 1938400 25.4581 26.0238 -14.8783 26.0238 -36.4892 37.4271 -14.8784 37.4271 17.8065 GPRESSAVG: 1938400 26.723 23.9601 -15.9828 26.9802 -37.771 36.0191 -12.5043 40.125 18.3937 TIMING: 1938400 CPU: 6201.69, 0.00312515/step Wall: 6201.69, 0.00312515/step, 2.65777 hours remaining, 233.812500 MB of memory in use. ENERGY: 1938400 3988.5857 20483.7452 14516.5079 250.7516 -203327.4644 2436.3198 0.0000 0.0000 51974.2638 -109677.2904 298.6968 -161651.5542 -109313.2200 299.4215 68.9650 98.4957 759059.4438 2.2584 2.4486 PRESSURE: 1938600 -77.5549 -243.106 149.195 -243.106 -151.491 127.01 149.195 127.01 515.395 GPRESSURE: 1938600 41.5303 -55.7569 209.467 -151.633 -154.887 131.743 80.201 61.2859 467.662 PRESSAVG: 1938600 12.084 -9.75233 -14.1417 -9.75238 -20.1133 -39.9571 -14.1417 -39.9572 -13.4179 GPRESSAVG: 1938600 10.8945 -6.90355 -13.4563 -10.493 -18.8367 -37.1749 -14.8883 -42.7033 -14.1974 TIMING: 1938600 CPU: 6202.32, 0.00312987/step Wall: 6202.32, 0.00312987/step, 2.66161 hours remaining, 233.812500 MB of memory in use. ENERGY: 1938600 4016.1837 20695.5827 14403.2782 239.7885 -204044.2508 2848.8903 0.0000 0.0000 52236.2742 -109604.2532 300.2026 -161840.5274 -109256.4886 299.4634 95.4499 118.1016 759716.9971 -7.1491 -7.3799 PRESSURE: 1938800 -148.132 37.1008 -95.4856 37.1021 294.505 -83.2893 -95.4859 -83.289 -320.037 GPRESSURE: 1938800 -113.942 9.45762 -175.687 -31.6971 316.684 -290.975 -49.4973 66.6883 -281.254 PRESSAVG: 1938800 16.5827 25.9555 -50.0254 25.9554 -67.4409 -25.2899 -50.0254 -25.2898 6.69679 GPRESSAVG: 1938800 16.7078 25.4823 -49.4604 24.7381 -67.9894 -26.9177 -51.2792 -24.7527 6.76423 TIMING: 1938800 CPU: 6202.94, 0.00312242/step Wall: 6202.94, 0.00312242/step, 2.6551 hours remaining, 233.812500 MB of memory in use. ENERGY: 1938800 3995.1304 20355.1119 14460.6046 241.6432 -203201.9545 2445.4894 0.0000 0.0000 52378.7292 -109325.2458 301.0213 -161703.9750 -108955.6914 299.6119 -57.8880 -26.1706 762327.4801 -14.7205 -14.8391 PRESSURE: 1939000 -29.555 26.9188 212.235 26.9183 134.294 73.054 212.235 73.0539 -390.942 GPRESSURE: 1939000 22.7337 7.17352 233.77 130.719 100.516 32.0394 135 121.483 -331.547 PRESSAVG: 1939000 47.5588 6.15158 -21.8036 6.15159 -51.2934 -27.8441 -21.8036 -27.844 -17.426 GPRESSAVG: 1939000 47.9067 5.54229 -22.4689 5.62874 -51.2116 -28.7353 -20.5705 -27.8381 -18.4463 TIMING: 1939000 CPU: 6203.57, 0.00313719/step Wall: 6203.57, 0.00313719/step, 2.66748 hours remaining, 233.812500 MB of memory in use. ENERGY: 1939000 3964.9858 20644.5179 14439.3928 254.2697 -202613.4521 2034.6992 0.0000 0.0000 51987.2361 -109288.3506 298.7714 -161275.5868 -108938.3639 299.6266 -95.4011 -69.4324 760996.6467 -7.0535 -7.2504 PRESSURE: 1939200 80.3392 -45.182 20.1575 -45.1825 -60.5125 174.419 20.1578 174.419 212.304 GPRESSURE: 1939200 56.9163 144.877 -86.3933 -120.777 92.5276 165.045 71.5262 102.708 153.501 PRESSAVG: 1939200 5.80204 -28.4447 12.8432 -28.4446 -20.454 -36.9123 12.8433 -36.9123 -3.07348 GPRESSAVG: 1939200 5.60244 -27.2218 11.2527 -29.5451 -20.1748 -36.7484 13.9447 -37.6348 -2.48461 TIMING: 1939200 CPU: 6204.2, 0.00312896/step Wall: 6204.2, 0.00312896/step, 2.66031 hours remaining, 233.812500 MB of memory in use. ENERGY: 1939200 3957.0189 20348.7645 14421.9509 238.9540 -202767.6409 2326.0677 0.0000 0.0000 52041.9367 -109432.9483 299.0857 -161474.8850 -109063.7437 299.7061 77.3770 100.9817 761293.9719 -5.9085 -5.6857 PRESSURE: 1939400 -366.728 190.161 139.065 190.161 226.902 153.634 139.064 153.634 -85.8888 GPRESSURE: 1939400 -196.135 107.618 141.627 269.769 147.935 45.8631 110.632 166.721 -117.064 PRESSAVG: 1939400 -20.3033 -22.5768 0.964494 -22.5768 36.637 48.9164 0.964533 48.9164 -8.51757 GPRESSAVG: 1939400 -20.2344 -24.0801 2.82553 -21.6752 36.3306 50.362 -0.703364 47.1313 -8.52282 TIMING: 1939400 CPU: 6204.82, 0.00312942/step Wall: 6204.82, 0.00312942/step, 2.66053 hours remaining, 233.812500 MB of memory in use. ENERGY: 1939400 3965.8840 20465.4431 14463.2488 236.2106 -202783.8304 2254.9064 0.0000 0.0000 51801.1152 -109597.0224 297.7017 -161398.1376 -109237.4648 299.1891 -75.2383 -55.0879 761242.4739 2.6054 2.5244 PRESSURE: 1939600 -113.771 -53.4547 88.4163 -53.4556 -236.602 8.9422 88.4164 8.94211 -40.0295 GPRESSURE: 1939600 -110.099 -56.5543 82.1295 -96.6742 -182.239 63.074 103.389 -177.295 -23.3087 PRESSAVG: 1939600 5.70917 -30.1623 -60.3023 -30.1623 5.10394 71.2158 -60.3023 71.2158 35.6895 GPRESSAVG: 1939600 5.53759 -31.2781 -60.3842 -29.0096 6.48016 71.2585 -60.2683 71.2718 34.8728 TIMING: 1939600 CPU: 6205.45, 0.00311873/step Wall: 6205.45, 0.00311873/step, 2.65126 hours remaining, 233.812500 MB of memory in use. ENERGY: 1939600 3954.0351 20562.2466 14506.6969 250.4500 -202703.0610 2136.1721 0.0000 0.0000 52016.6435 -109276.8168 298.9404 -161293.4604 -108906.1762 299.0497 -130.1343 -105.2155 761774.5854 15.5009 15.6302 PRESSURE: 1939800 -165.827 -131.67 154.338 -131.67 -186.188 187.541 154.339 187.54 -168.714 GPRESSURE: 1939800 -94.1573 -115.965 208.306 -127.231 -174.827 254.653 147.496 221.458 -164.551 PRESSAVG: 1939800 -44.209 -102.319 4.09927 -102.319 58.3215 29.9548 4.09934 29.9548 -17.4909 GPRESSAVG: 1939800 -45.1024 -100.808 2.98342 -103.744 57.7387 28.7962 2.96767 33.4284 -16.4891 TIMING: 1939800 CPU: 6206.07, 0.00312462/step Wall: 6206.07, 0.00312463/step, 2.6561 hours remaining, 233.812500 MB of memory in use. ENERGY: 1939800 3933.9070 20559.5592 14458.5576 277.0621 -202739.9081 2009.8155 0.0000 0.0000 52338.3337 -109162.6729 300.7891 -161501.0066 -108807.1215 300.1838 -173.5762 -144.5118 761434.9701 -1.1262 -1.2842 PRESSURE: 1940000 -228.471 -163.82 -142.789 -163.821 -62.6322 76.8646 -142.788 76.8653 137.031 GPRESSURE: 1940000 -199.6 -131.875 -131.578 -46.5214 -40.8457 40.5873 -121.717 -60.9065 159.153 PRESSAVG: 1940000 -64.5243 -42.6064 -12.0184 -42.6064 33.7456 47.592 -12.0185 47.5919 -17.9355 GPRESSAVG: 1940000 -62.4772 -42.6599 -12.0323 -40.9847 32.6654 48.6054 -9.73599 44.8225 -19.5884 TIMING: 1940000 CPU: 6206.7, 0.00313831/step Wall: 6206.7, 0.00313831/step, 2.66756 hours remaining, 233.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1940000 4034.5688 20501.9444 14448.4085 262.5455 -203422.0629 2566.9439 0.0000 0.0000 52387.2702 -109220.3816 301.0704 -161607.6518 -108860.7070 300.2574 -51.3572 -27.0977 760911.6219 -16.2380 -16.4667 PRESSURE: 1940200 -180.097 -94.1691 185.209 -94.1685 108.46 132.544 185.209 132.544 -355.438 GPRESSURE: 1940200 -152.998 -66.6873 216.162 -191.013 127.834 89.7237 176.366 69.9155 -307.444 PRESSAVG: 1940200 -9.08462 -32.517 -34.0959 -32.517 27.5521 52.1834 -34.0959 52.1834 -0.177629 GPRESSAVG: 1940200 -9.6765 -33.7411 -34.2096 -35.0483 27.6594 52.5744 -36.494 53.8648 0.0463448 TIMING: 1940200 CPU: 6207.33, 0.00313516/step Wall: 6207.33, 0.00313516/step, 2.66471 hours remaining, 233.812500 MB of memory in use. ENERGY: 1940200 3992.9889 20577.6512 14422.9537 265.5537 -203383.7328 2514.1444 0.0000 0.0000 52214.5106 -109395.9303 300.0775 -161610.4408 -109029.8530 299.8393 -142.3585 -110.8692 760772.3569 6.0966 6.0097 LDB: ============= START OF LOAD BALANCING ============== 6219.75 LDB: ============== END OF LOAD BALANCING =============== 6219.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6219.75 LDB: ============= START OF LOAD BALANCING ============== 6220.06 LDB: Largest compute 7032 load 0.032141 is 16.4% of average load 0.195439 LDB: Average compute 0.004392 is 2.2% of average load 0.195439 LDB: TIME 6220.06 LOAD: AVG 0.195439 MAX 0.214234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.113 MB LDB: TIME 6220.07 LOAD: AVG 0.195439 MAX 0.214234 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.113 MB LDB: TIME 6220.07 LOAD: AVG 0.195439 MAX 0.214234 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.113 MB LDB: ============== END OF LOAD BALANCING =============== 6220.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6220.07 PRESSURE: 1940400 -111.807 57.1575 -27.2692 57.157 20.822 64.499 -27.2696 64.499 20.6163 GPRESSURE: 1940400 -36.8615 -38.0096 -54.4589 191.17 34.8962 -11.5253 -34.7716 55.7707 6.56878 PRESSAVG: 1940400 4.15213 23.888 18.6108 23.888 0.103377 14.9588 18.6107 14.9589 -13.3485 GPRESSAVG: 1940400 3.66754 24.6438 17.6674 23.7869 0.686357 15.5009 21.8893 14.0198 -13.3623 TIMING: 1940400 CPU: 6207.97, 0.00320444/step Wall: 6207.97, 0.00320444/step, 2.72342 hours remaining, 231.570312 MB of memory in use. ENERGY: 1940400 4045.2861 20453.4002 14439.5343 241.9165 -203652.1086 2681.7583 0.0000 0.0000 52262.9761 -109527.2371 300.3560 -161790.2131 -109164.5457 299.4694 -23.4561 1.5345 761367.0798 -3.0310 -3.0028 PRESSURE: 1940600 -203.964 -269.82 -144.957 -269.82 195.3 -147.664 -144.957 -147.664 -77.7064 GPRESSURE: 1940600 -105.052 -166.818 -176.882 -190.57 182.079 -71.9133 -151.414 -73.2782 -87.8596 PRESSAVG: 1940600 6.20856 -50.5032 -21.0472 -50.5033 2.73498 18.8807 -21.0472 18.8806 -1.00722 GPRESSAVG: 1940600 6.58669 -50.1159 -19.2347 -48.745 1.24256 18.1238 -23.816 19.1121 0.0646832 TIMING: 1940600 CPU: 6208.59, 0.00314469/step Wall: 6208.59, 0.00314469/step, 2.67246 hours remaining, 231.570312 MB of memory in use. ENERGY: 1940600 3979.4488 20714.7664 14445.5539 252.0950 -203484.0058 2581.4935 0.0000 0.0000 52045.7910 -109464.8572 299.1079 -161510.6482 -109102.7252 299.5093 -28.7901 -3.6109 759595.2416 2.6454 2.6313 PRESSURE: 1940800 356.005 -13.5154 -33.0991 -13.5164 68.5273 159.987 -33.0993 159.988 44.0955 GPRESSURE: 1940800 330.998 -124.499 -69.6581 59.3804 130.832 123.015 -5.57893 145.695 90.4854 PRESSAVG: 1940800 11.1512 -39.6848 20.8803 -39.6849 -24.0302 19.5149 20.8803 19.5148 8.6666 GPRESSAVG: 1940800 9.26155 -41.3969 20.5919 -39.158 -22.4844 19.2515 20.5956 18.5918 8.98028 TIMING: 1940800 CPU: 6209.22, 0.0031473/step Wall: 6209.22, 0.0031473/step, 2.67451 hours remaining, 231.570312 MB of memory in use. ENERGY: 1940800 4054.4923 20576.0062 14457.5563 240.9007 -203923.6360 2761.7884 0.0000 0.0000 52319.7501 -109513.1420 300.6823 -161832.8921 -109146.5364 300.0345 156.2092 184.1054 759054.0356 -1.4041 -1.4142 PRESSURE: 1941000 -93.2679 -95.0808 -226.314 -95.0825 -99.9474 -243.746 -226.314 -243.746 -227.222 GPRESSURE: 1941000 -27.6461 -56.3158 -215.361 -209.849 -46.1142 -149.038 -232.881 -296.705 -242.475 PRESSAVG: 1941000 -10.0682 -33.7665 -19.1628 -33.7665 -19.8322 -37.5775 -19.1628 -37.5774 6.32072 GPRESSAVG: 1941000 -8.27718 -31.9971 -19.7114 -34.566 -21.2166 -37.2635 -17.5686 -37.5403 6.31436 TIMING: 1941000 CPU: 6209.85, 0.00313652/step Wall: 6209.85, 0.00313652/step, 2.66517 hours remaining, 231.570312 MB of memory in use. ENERGY: 1941000 3974.9050 20393.2265 14411.6915 242.7231 -203799.0270 2493.8050 0.0000 0.0000 52219.9757 -110062.7002 300.1089 -162282.6759 -109690.4802 299.1629 -140.1458 -105.4119 759024.9102 -7.8599 -7.7265 PRESSURE: 1941200 -7.05471 -128.344 146.983 -128.344 -43.8037 -119.59 146.982 -119.589 -310.195 GPRESSURE: 1941200 16.1397 -189.234 78.6841 -149.088 -19.1192 -127.515 66.6553 -147.631 -267.064 PRESSAVG: 1941200 39.4463 -29.5468 19.4558 -29.5468 16.294 -25.8917 19.4559 -25.8917 -14.8601 GPRESSAVG: 1941200 37.7797 -30.2546 21.4552 -29.8971 17.6351 -26.1619 17.9279 -25.6565 -14.5417 TIMING: 1941200 CPU: 6210.48, 0.00312571/step Wall: 6210.48, 0.00312571/step, 2.65581 hours remaining, 231.570312 MB of memory in use. ENERGY: 1941200 3952.5562 20550.0204 14445.9137 255.3681 -203723.0738 2442.5906 0.0000 0.0000 51998.4294 -110078.1954 298.8357 -162076.6248 -109731.5893 298.5542 -120.3512 -90.0146 759623.3213 13.6267 13.6244 PRESSURE: 1941400 -172.743 -205.854 129.343 -205.854 -136.494 -11.5266 129.342 -11.527 -207.303 GPRESSURE: 1941400 -204.909 -164.787 102.741 -234.888 -115.056 -92.5446 153.772 63.5336 -104.63 PRESSAVG: 1941400 4.09241 -42.9079 -8.42238 -42.9079 4.0143 1.83148 -8.42234 1.83154 17.4429 GPRESSAVG: 1941400 4.66109 -41.5672 -9.56788 -43.3571 2.80349 1.84339 -8.02468 1.80274 18.474 TIMING: 1941400 CPU: 6211.1, 0.00312836/step Wall: 6211.1, 0.00312836/step, 2.65789 hours remaining, 231.570312 MB of memory in use. ENERGY: 1941400 4011.3485 20366.0099 14374.5950 243.2913 -203367.0135 2413.5190 0.0000 0.0000 51701.4368 -110256.8130 297.1289 -161958.2498 -109900.1572 298.0177 -172.1801 -141.5314 760163.2944 8.5165 8.6462 PRESSURE: 1941600 -181.416 -217.01 24.1461 -217.01 -347.594 -121.692 24.1458 -121.691 -45.1208 GPRESSURE: 1941600 -282.247 -86.2181 33.4245 -146.154 -174.474 -107.55 6.91447 -4.99333 -47.7506 PRESSAVG: 1941600 -13.0893 -40.3977 17.1471 -40.3977 13.2774 -57.2441 17.1471 -57.2441 2.47633 GPRESSAVG: 1941600 -13.3357 -42.0631 18.8597 -40.5496 13.3922 -59.0466 17.1701 -56.0245 2.64417 TIMING: 1941600 CPU: 6211.73, 0.00314331/step Wall: 6211.73, 0.00314332/step, 2.67042 hours remaining, 231.570312 MB of memory in use. ENERGY: 1941600 3965.1925 20576.9120 14387.1487 241.7743 -203450.9146 2265.6211 0.0000 0.0000 51755.5076 -110258.7585 297.4396 -162014.2661 -109896.6556 297.8921 -191.3770 -168.1571 758918.6306 0.8881 0.9002 PRESSURE: 1941800 -69.7808 135.382 47.4899 135.384 66.5626 -61.2879 47.4896 -61.2883 7.84357 GPRESSURE: 1941800 -87.2363 86.0287 53.2488 107.8 102.843 -50.4889 -15.5448 -182.135 68.9454 PRESSAVG: 1941800 60.1177 17.2447 61.8358 17.2448 -39.8792 -28.2674 61.8358 -28.2674 24.1816 GPRESSAVG: 1941800 60.261 18.2536 60.8372 17.7319 -39.2876 -27.3938 62.3899 -27.9203 23.1099 TIMING: 1941800 CPU: 6212.36, 0.00312484/step Wall: 6212.36, 0.00312484/step, 2.65455 hours remaining, 231.570312 MB of memory in use. ENERGY: 1941800 4058.7145 20385.9664 14369.3848 244.6571 -203833.8785 2577.7431 0.0000 0.0000 52024.1717 -110173.2408 298.9836 -162197.4125 -109812.6486 298.4027 1.5418 28.1841 760330.6526 14.8067 14.6945 PRESSURE: 1942000 107.062 74.2014 101.305 74.2014 -36.5061 50.1593 101.305 50.1587 -122.312 GPRESSURE: 1942000 159.47 63.2244 96.8106 149.2 21.742 27.3111 9.38678 -64.1716 -142.242 PRESSAVG: 1942000 8.99786 4.49288 -10.0237 4.49279 -16.7683 -5.26171 -10.0237 -5.26184 13.2689 GPRESSAVG: 1942000 9.01422 3.58171 -9.93333 6.04053 -16.5437 -3.34286 -12.5059 -8.16717 13.1178 TIMING: 1942000 CPU: 6212.98, 0.00312366/step Wall: 6212.98, 0.00312366/step, 2.65337 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1942000 3923.4253 20686.9036 14433.2091 244.5540 -204202.1863 2935.5777 0.0000 0.0000 51797.5603 -110180.9561 297.6813 -161978.5164 -109832.5052 298.5833 -17.2518 12.9899 760245.2885 1.8328 1.8628 PRESSURE: 1942200 -38.295 -101.232 13.1471 -101.231 -100.003 75.368 13.1475 75.3665 -371.573 GPRESSURE: 1942200 16.7399 -138.309 -37.8627 -126.387 -115.31 55.9927 14.5278 109.71 -337.263 PRESSAVG: 1942200 67.4009 -59.9959 13.783 -59.9958 -17.0902 -55.8149 13.783 -55.815 -40.455 GPRESSAVG: 1942200 67.4459 -60.07 14.2621 -61.4079 -17.1975 -57.419 15.0515 -53.3199 -40.6484 TIMING: 1942200 CPU: 6213.61, 0.00314567/step Wall: 6213.61, 0.00314567/step, 2.6719 hours remaining, 231.570312 MB of memory in use. ENERGY: 1942200 3985.0280 20428.4573 14418.5297 231.7292 -203463.1922 2353.8660 0.0000 0.0000 51896.4692 -110149.1127 298.2497 -162045.5819 -109779.7664 298.5522 -169.9569 -145.2777 761172.6558 3.2852 3.2000 PRESSURE: 1942400 -305.611 173.803 150.801 173.803 1.35601 283.23 150.802 283.229 -112.304 GPRESSURE: 1942400 -246.415 123.48 174.153 143.783 19.6717 181.794 241.4 418.949 -93.78 PRESSAVG: 1942400 -16.399 -42.0664 -1.53479 -42.0664 -3.26339 26.7087 -1.5348 26.7086 -3.90407 GPRESSAVG: 1942400 -15.7509 -42.0295 -0.920605 -45.0345 -4.22429 25.7779 0.327645 26.2532 -3.47546 TIMING: 1942400 CPU: 6214.24, 0.00312555/step Wall: 6214.24, 0.00312555/step, 2.65463 hours remaining, 231.570312 MB of memory in use. ENERGY: 1942400 3943.9617 20378.2377 14541.2044 264.0328 -203645.1247 2457.5513 0.0000 0.0000 51715.6434 -110344.4933 297.2105 -162060.1367 -109988.8894 297.8551 -138.8530 -106.8412 760585.9944 -7.8555 -7.8169 PRESSURE: 1942600 101.407 -6.22007 -271.664 -6.21989 -121.971 124.478 -271.663 124.478 -268.946 GPRESSURE: 1942600 167.455 41.4722 -152.054 79.3746 -119.697 33.2931 -211.042 109.504 -255.569 PRESSAVG: 1942600 -24.3178 -12.5069 -34.3627 -12.5068 -16.5079 -24.8224 -34.3628 -24.8223 17.2187 GPRESSAVG: 1942600 -24.7132 -11.5111 -35.3938 -10.7818 -16.1237 -24.242 -36.2822 -25.5631 16.6979 TIMING: 1942600 CPU: 6214.86, 0.00313902/step Wall: 6214.86, 0.00313902/step, 2.6659 hours remaining, 231.570312 MB of memory in use. ENERGY: 1942600 3970.9424 20522.1665 14425.3350 241.5164 -203371.2676 2259.5454 0.0000 0.0000 51675.3225 -110276.4394 296.9788 -161951.7618 -109919.6537 297.7352 -96.5032 -69.2704 760872.4476 -7.8690 -8.0463 PRESSURE: 1942800 -153.509 -3.39079 -133.389 -3.38912 84.1066 -206.145 -133.39 -206.145 227.732 GPRESSURE: 1942800 -185.587 29.2387 -190.693 51.2246 177.604 -143.125 -213.203 -99.359 217.035 PRESSAVG: 1942800 -24.661 49.0634 -37.2222 49.0634 -3.95002 -29.9404 -37.2221 -29.9404 13.7466 GPRESSAVG: 1942800 -26.5345 46.8744 -40.3999 51.1907 -2.92735 -30.5334 -35.0924 -27.1674 14.3873 TIMING: 1942800 CPU: 6215.49, 0.00314135/step Wall: 6215.49, 0.00314135/step, 2.6677 hours remaining, 231.570312 MB of memory in use. ENERGY: 1942800 3899.5204 20627.7884 14427.5269 239.5998 -203387.0757 2407.8281 0.0000 0.0000 51853.1460 -109931.6661 298.0007 -161784.8121 -109563.8709 298.0894 52.7765 69.6838 760317.9575 -4.9548 -5.0248 PRESSURE: 1943000 -93.6022 110.945 -75.7655 110.946 -132.949 18.2044 -75.7656 18.2051 -67.173 GPRESSURE: 1943000 117.75 58.3118 -108.392 52.6927 -169.434 77.665 14.934 -24.3812 -155.13 PRESSAVG: 1943000 -17.6701 -57.5572 -29.8351 -57.5573 24.7603 -32.799 -29.8351 -32.799 -21.7056 GPRESSAVG: 1943000 -16.4113 -54.901 -28.2373 -59.3162 23.9935 -32.681 -29.3807 -33.8884 -21.6398 TIMING: 1943000 CPU: 6216.12, 0.00316155/step Wall: 6216.12, 0.00316155/step, 2.68469 hours remaining, 231.570312 MB of memory in use. ENERGY: 1943000 3983.6871 20462.4723 14405.3988 235.1936 -203540.4158 2372.3846 0.0000 0.0000 52165.5306 -109915.7488 299.7960 -162081.2794 -109540.2947 298.8252 -97.9079 -68.9378 759097.6687 -4.8718 -4.6859 PRESSURE: 1943200 -181.607 -14.4819 80.7465 -14.4821 -131.903 12.0259 80.7468 12.0246 -113.195 GPRESSURE: 1943200 -119.692 25.2528 64.1146 -61.3402 -138.078 13.3347 -141.69 -44.6366 -74.4168 PRESSAVG: 1943200 30.1541 0.451888 16.0332 0.451974 -14.4185 6.68274 16.0332 6.68267 -2.56936 GPRESSAVG: 1943200 30.9441 -0.664586 15.0088 0.275574 -14.9581 5.60352 14.2921 6.14099 -2.92989 TIMING: 1943200 CPU: 6216.75, 0.00313746/step Wall: 6216.75, 0.00313746/step, 2.66405 hours remaining, 231.570312 MB of memory in use. ENERGY: 1943200 3973.5101 20459.9563 14413.3649 255.4437 -203646.5558 2579.2992 0.0000 0.0000 51983.8712 -109981.1103 298.7520 -161964.9816 -109618.7387 298.7629 -142.2351 -110.7290 759270.6980 4.3888 4.3520 PRESSURE: 1943400 -13.1893 -66.6774 -109.979 -66.6786 -52.4419 -355.726 -109.979 -355.726 -128.31 GPRESSURE: 1943400 2.21009 -58.0313 -63.1255 -60.4366 -71.0267 -388.781 9.88134 -93.2353 -41.5667 PRESSAVG: 1943400 44.326 20.2578 36.8629 20.2578 -23.3134 -24.0631 36.8629 -24.0631 0.586302 GPRESSAVG: 1943400 43.9603 20.9736 37.5789 21.0026 -24.0501 -20.7604 37.6593 -23.4641 1.14106 TIMING: 1943400 CPU: 6217.38, 0.00314555/step Wall: 6217.38, 0.00314555/step, 2.67075 hours remaining, 231.570312 MB of memory in use. ENERGY: 1943400 3950.9484 20662.3141 14488.7935 248.5831 -203610.2689 2573.3293 0.0000 0.0000 51744.3036 -109941.9967 297.3752 -161686.3004 -109585.5885 298.6674 -64.6470 -36.7945 761566.2788 7.1996 7.0171 PRESSURE: 1943600 -99.1475 23.3162 -250.753 23.3171 -110.741 159.848 -250.754 159.848 -171.999 GPRESSURE: 1943600 -19.7914 26.4007 -316.757 16.0499 -93.3267 173.892 -190.298 126.911 -185.88 PRESSAVG: 1943600 -29.9168 -22.7091 3.34216 -22.7091 34.4402 16.3978 3.34216 16.3978 -23.0087 GPRESSAVG: 1943600 -30.083 -23.5713 4.25803 -22.4076 34.8686 14.6368 3.07004 16.3039 -23.4723 TIMING: 1943600 CPU: 6218.01, 0.00313238/step Wall: 6218.01, 0.00313238/step, 2.65939 hours remaining, 231.570312 MB of memory in use. ENERGY: 1943600 3990.3432 20338.8155 14489.3703 250.8387 -203373.3778 2513.0378 0.0000 0.0000 51778.0634 -110012.9088 297.5692 -161790.9722 -109652.3495 298.5614 -127.2959 -99.6659 760955.9277 -6.1618 -6.2289 PRESSURE: 1943800 -439.409 -184.47 1.41034 -184.47 -230.181 46.9538 1.40924 46.9541 -229.329 GPRESSURE: 1943800 -387.617 -176.489 6.16979 -162.087 -174.672 -46.9393 73.1677 12.66 -245.706 PRESSAVG: 1943800 -6.53535 -39.2157 -45.7463 -39.2157 23.3604 -6.05231 -45.7462 -6.05236 21.3848 GPRESSAVG: 1943800 -7.86819 -36.9984 -46.3393 -41.8131 24.1303 -6.74111 -43.9836 -6.80471 22.417 TIMING: 1943800 CPU: 6218.64, 0.00315095/step Wall: 6218.64, 0.00315095/step, 2.67498 hours remaining, 231.570312 MB of memory in use. ENERGY: 1943800 3935.8061 20508.6089 14427.6511 265.4052 -203539.3662 2339.0010 0.0000 0.0000 52053.6361 -110009.2578 299.1530 -162062.8939 -109653.4898 298.3793 -299.6395 -269.3316 760639.9718 12.7366 12.8930 PRESSURE: 1944000 254.052 94.6643 -286.544 94.6644 -327.753 -369.317 -286.545 -369.317 75.8225 GPRESSURE: 1944000 187.359 236.655 -291.368 95.0994 -210.485 -275.328 -232.568 -415.157 124.778 PRESSAVG: 1944000 -12.1422 -34.9099 11.062 -34.9099 49.2977 22.0948 11.062 22.0948 -30.1466 GPRESSAVG: 1944000 -11.359 -36.0623 13.3254 -31.4432 49.4288 22.8836 8.01939 21.9049 -30.651 TIMING: 1944000 CPU: 6219.26, 0.00313973/step Wall: 6219.26, 0.00313973/step, 2.66528 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1944000 3876.0376 20400.6026 14411.3713 240.1199 -203300.6880 2452.5993 0.0000 0.0000 52071.0781 -109848.8793 299.2532 -161919.9574 -109486.3456 298.3794 0.7071 33.8842 760670.6724 2.3363 2.4729 PRESSURE: 1944200 -75.0655 -47.4358 26.8767 -47.436 -316.347 174.961 26.8764 174.961 47.5712 GPRESSURE: 1944200 -17.6454 -91.5372 -13.5006 30.5979 -207.595 215.587 2.03062 174.267 -23.5543 PRESSAVG: 1944200 2.27109 -29.4258 -6.20417 -29.4257 15.8535 -37.8278 -6.20422 -37.8279 25.6503 GPRESSAVG: 1944200 2.06436 -30.6146 -8.78736 -29.4154 17.8078 -38.4007 -6.25413 -38.0093 24.5501 TIMING: 1944200 CPU: 6219.89, 0.00315003/step Wall: 6219.89, 0.00315003/step, 2.67385 hours remaining, 231.570312 MB of memory in use. ENERGY: 1944200 3952.2504 20568.9843 14433.8532 241.0253 -202974.6435 2197.0695 0.0000 0.0000 51857.8435 -109723.6173 298.0277 -161581.4608 -109359.2737 299.0400 -114.6138 -82.9317 761288.2788 14.5916 14.8074 LDB: ============= START OF LOAD BALANCING ============== 6232.31 LDB: ============== END OF LOAD BALANCING =============== 6232.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6232.32 LDB: ============= START OF LOAD BALANCING ============== 6232.63 LDB: Largest compute 7033 load 0.034053 is 17.4% of average load 0.195488 LDB: Average compute 0.004378 is 2.2% of average load 0.195488 LDB: TIME 6232.63 LOAD: AVG 0.195488 MAX 0.219901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.406 MB LDB: TIME 6232.63 LOAD: AVG 0.195488 MAX 0.219901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.406 MB LDB: TIME 6232.63 LOAD: AVG 0.195488 MAX 0.21781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.406 MB LDB: ============== END OF LOAD BALANCING =============== 6232.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6232.64 PRESSURE: 1944400 -98.7254 -175.852 -10.3316 -175.851 -224.789 162.744 -10.3311 162.743 -132.781 GPRESSURE: 1944400 -95.3399 -153.972 -77.993 -210.865 -179.538 138.529 -84.0482 111.802 -88.5824 PRESSAVG: 1944400 9.94518 10.4313 -32.589 10.4313 -26.2595 -4.83184 -32.5889 -4.83183 -6.26869 GPRESSAVG: 1944400 10.8406 9.9007 -32.0472 10.9114 -29.336 -5.14869 -31.8629 -4.49236 -4.45504 TIMING: 1944400 CPU: 6220.53, 0.00319649/step Wall: 6220.53, 0.00319649/step, 2.71311 hours remaining, 232.851562 MB of memory in use. ENERGY: 1944400 3998.8060 20584.6061 14429.9134 247.0388 -203318.5787 2452.7708 0.0000 0.0000 51910.7226 -109694.7210 298.3316 -161605.4436 -109329.1326 298.7789 -152.0985 -121.1533 761707.1210 -7.5277 -7.6501 PRESSURE: 1944600 -380.319 -134.729 -15.5549 -134.729 -319.147 -260.254 -15.5555 -260.254 3.14871 GPRESSURE: 1944600 -253.437 -67.5369 -42.7572 -118.263 -391.631 -328.642 112.861 -57.6116 42.8108 PRESSAVG: 1944600 59.1114 -29.7573 3.99054 -29.7572 -37.9858 20.3942 3.99053 20.3941 23.6015 GPRESSAVG: 1944600 59.3635 -29.3431 3.08376 -30.4223 -36.42 20.816 7.309 20.3891 21.8347 TIMING: 1944600 CPU: 6221.16, 0.00313829/step Wall: 6221.16, 0.00313829/step, 2.66353 hours remaining, 232.851562 MB of memory in use. ENERGY: 1944600 3938.5269 20496.5118 14454.3640 243.5107 -203788.8414 2710.5862 0.0000 0.0000 52255.2832 -109690.0585 300.3118 -161945.3418 -109333.6509 299.1389 -232.1059 -200.7526 761421.6246 14.9090 14.9261 PRESSURE: 1944800 188.98 247.769 23.0496 247.769 172.089 36.7664 23.0491 36.7665 252.54 GPRESSURE: 1944800 132.098 152.413 13.9861 152.807 262.147 -21.7339 -17.5407 -86.9182 290.747 PRESSAVG: 1944800 30.6232 9.2191 -4.92152 9.21914 -58.1716 -26.4159 -4.92146 -26.4158 16.9899 GPRESSAVG: 1944800 30.5347 10.0122 -3.82437 9.7204 -58.8184 -26.5281 -9.16325 -24.5494 18.1962 TIMING: 1944800 CPU: 6221.79, 0.00313354/step Wall: 6221.79, 0.00313354/step, 2.65933 hours remaining, 232.851562 MB of memory in use. ENERGY: 1944800 3992.4036 20401.5358 14501.2031 259.8884 -203668.2771 2881.6479 0.0000 0.0000 51889.5219 -109742.0764 298.2098 -161631.5984 -109376.4518 299.2040 204.5366 228.3307 760940.4557 -3.5195 -3.3625 PRESSURE: 1945000 218.259 -93.0876 -211.972 -93.0881 -223.783 90.4652 -211.973 90.4664 -286.513 GPRESSURE: 1945000 176.047 -111.096 -159.106 -44.7194 -117.721 2.36433 -88.4188 170.564 -281.538 PRESSAVG: 1945000 35.7962 -29.1474 12.0899 -29.1475 -1.80952 -38.5333 12.0899 -38.5332 -15.9193 GPRESSAVG: 1945000 35.387 -29.9127 10.1533 -30.9294 -2.16674 -38.9015 12.3413 -40.8603 -15.9329 TIMING: 1945000 CPU: 6222.42, 0.00314374/step Wall: 6222.42, 0.00314374/step, 2.66781 hours remaining, 232.851562 MB of memory in use. ENERGY: 1945000 4018.2179 20520.1547 14486.6889 262.0051 -203561.2712 2505.4774 0.0000 0.0000 51878.4743 -109890.2530 298.1463 -161768.7273 -109539.1984 298.5981 -97.3456 -74.4038 761910.1099 6.0224 5.7625 PRESSURE: 1945200 -45.7789 -27.886 109.073 -27.8866 -76.7806 -200.693 109.074 -200.694 169.111 GPRESSURE: 1945200 18.8848 23.0689 58.0652 46.7878 -85.1341 -127.147 143.278 -164.045 209.457 PRESSAVG: 1945200 6.55381 -27.163 -19.5125 -27.163 -41.6122 -18.3766 -19.5125 -18.3765 -8.79933 GPRESSAVG: 1945200 6.33366 -26.7598 -17.8045 -24.7882 -42.1513 -17.7857 -19.4617 -16.6519 -8.24002 TIMING: 1945200 CPU: 6223.05, 0.00314377/step Wall: 6223.05, 0.00314377/step, 2.66766 hours remaining, 232.851562 MB of memory in use. ENERGY: 1945200 3978.0139 20546.8355 14409.8219 261.7811 -203786.1479 2830.3042 0.0000 0.0000 51745.3226 -110014.0687 297.3811 -161759.3913 -109657.6439 298.3192 15.5172 47.7359 760976.2438 -14.6192 -14.6859 PRESSURE: 1945400 54.1221 -97.5697 -110.812 -97.5687 -295.517 19.7752 -110.812 19.775 -130.117 GPRESSURE: 1945400 126.697 -74.7475 -135.322 -152.648 -241.909 40.134 -165.572 47.7908 -181.073 PRESSAVG: 1945400 -9.11513 -57.623 4.86076 -57.6231 -39.296 26.028 4.86078 26.0281 3.80648 GPRESSAVG: 1945400 -9.27763 -55.6998 4.64246 -60.4403 -38.7087 26.5 5.05048 27.9233 2.94035 TIMING: 1945400 CPU: 6223.67, 0.00313965/step Wall: 6223.67, 0.00313965/step, 2.66399 hours remaining, 232.851562 MB of memory in use. ENERGY: 1945400 3941.7923 20396.8556 14433.2845 239.9669 -203236.4068 2189.4702 0.0000 0.0000 52072.6016 -109962.4356 299.2620 -162035.0373 -109596.9554 298.1318 -123.8373 -98.7617 760470.5242 -14.8682 -15.0153 PRESSURE: 1945600 -173.294 177.998 145.741 177.999 -74.6134 3.76387 145.742 3.76417 326.964 GPRESSURE: 1945600 -213.239 226.335 176.662 60.5749 -10.6667 29.8995 77.55 -47.2299 363.127 PRESSAVG: 1945600 -22.5089 -30.0588 34.5608 -30.0588 33.9497 -22.2075 34.5608 -22.2075 -15.8125 GPRESSAVG: 1945600 -21.1042 -33.0024 35.3216 -27.7596 32.5003 -21.2941 35.4664 -24.7637 -15.9138 TIMING: 1945600 CPU: 6224.3, 0.00314024/step Wall: 6224.3, 0.00314024/step, 2.66432 hours remaining, 232.851562 MB of memory in use. ENERGY: 1945600 3973.9092 20370.8643 14480.0661 272.6706 -203794.0216 2677.3145 0.0000 0.0000 51895.7265 -110123.4705 298.2455 -162019.1970 -109760.6434 298.2984 26.3522 46.4070 761945.0216 -1.4572 -1.5059 PRESSURE: 1945800 43.836 -251.431 129.395 -251.431 -15.0929 123.433 129.395 123.433 104.987 GPRESSURE: 1945800 -30.8353 -136.534 60.3577 -155.799 82.3444 74.6497 103.568 13.6587 171.717 PRESSAVG: 1945800 28.4138 23.9891 45.8476 23.9891 -50.3195 -12.7343 45.8475 -12.7344 8.30684 GPRESSAVG: 1945800 27.0799 28.272 44.7541 23.0274 -49.1913 -13.7799 46.1703 -12.9485 9.13086 TIMING: 1945800 CPU: 6224.93, 0.00313734/step Wall: 6224.93, 0.00313734/step, 2.66169 hours remaining, 232.851562 MB of memory in use. ENERGY: 1945800 3947.4128 20503.5283 14459.3323 245.3365 -203584.6579 2560.7815 0.0000 0.0000 51661.1936 -110207.0728 296.8976 -161868.2665 -109854.7092 297.6951 44.5768 74.4086 761087.0124 -4.5330 -4.3268 PRESSURE: 1946000 617.151 112.949 160.526 112.95 281.638 26.5894 160.526 26.589 -31.4527 GPRESSURE: 1946000 619.375 29.2514 172.402 51.4599 213.835 154.496 64.5008 6.20345 109.891 PRESSAVG: 1946000 10.9486 -14.5229 46.5244 -14.5229 8.83616 -60.0607 46.5244 -60.0607 -6.38328 GPRESSAVG: 1946000 11.0485 -16.3715 47.5518 -15.0433 9.19055 -59.882 45.7852 -59.4832 -6.56165 TIMING: 1946000 CPU: 6225.56, 0.00313222/step Wall: 6225.56, 0.00313222/step, 2.65717 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1946000 3916.4289 20282.6105 14447.8523 242.1407 -203853.0760 2714.8891 0.0000 0.0000 51945.3956 -110303.7589 298.5309 -162249.1545 -109937.7347 297.7196 289.1122 314.3670 759854.8097 4.4672 4.5591 PRESSURE: 1946200 112.203 -89.0645 90.2467 -89.0655 354.656 -80.487 90.2452 -80.4868 23.8861 GPRESSURE: 1946200 260.719 -33.1988 -75.7487 -21.1769 302.32 -55.4993 98.2369 71.4974 -1.19843 PRESSAVG: 1946200 21.7059 -21.2834 51.7712 -21.2833 5.09978 -7.09364 51.7712 -7.09363 7.59175 GPRESSAVG: 1946200 22.387 -23.4781 50.9515 -19.8359 4.26376 -7.80876 51.1644 -6.30939 7.64254 TIMING: 1946200 CPU: 6226.18, 0.00313048/step Wall: 6226.18, 0.00313048/step, 2.65552 hours remaining, 232.851562 MB of memory in use. ENERGY: 1946200 3951.6110 20463.9430 14462.8517 245.5561 -203840.3689 2757.9534 0.0000 0.0000 51722.7766 -110235.6771 297.2515 -161958.4537 -109879.2230 297.6641 163.5818 187.2802 761588.3459 11.4658 11.4311 PRESSURE: 1946400 -132.196 -9.53059 -93.3675 -9.53079 132.184 -127.992 -93.366 -127.993 138.266 GPRESSURE: 1946400 -109.756 -18.3808 -107.456 -37.0018 112.71 -112.967 -79.6441 -79.4257 221.941 PRESSAVG: 1946400 -23.3747 -15.5774 -66.6466 -15.5775 32.7908 21.6728 -66.6466 21.6727 5.10102 GPRESSAVG: 1946400 -22.3836 -16.0356 -67.6934 -13.1465 33.0987 21.7167 -66.208 19.5302 4.42188 TIMING: 1946400 CPU: 6226.81, 0.00315458/step Wall: 6226.81, 0.00315458/step, 2.67578 hours remaining, 232.851562 MB of memory in use. ENERGY: 1946400 3835.6711 20459.8117 14494.5592 244.6479 -203438.4150 2427.3880 0.0000 0.0000 51676.3838 -110299.9533 296.9849 -161976.3371 -109952.7311 297.8824 46.0846 74.9649 760628.2332 4.8390 5.0456 PRESSURE: 1946600 -176.941 -23.2681 109.3 -23.269 -91.2455 -36.4393 109.3 -36.4384 95.888 GPRESSURE: 1946600 -138.697 -32.9272 139.956 56.6096 -14.9644 -16.7212 59.7387 95.0462 96.2711 PRESSAVG: 1946600 -68.5709 -26.2943 -12.5615 -26.2943 19.0042 24.4795 -12.5615 24.4794 15.8347 GPRESSAVG: 1946600 -70.0695 -23.0559 -10.7954 -29.9731 19.1597 24.7067 -12.1645 26.1041 16.4963 TIMING: 1946600 CPU: 6227.44, 0.003141/step Wall: 6227.44, 0.003141/step, 2.66409 hours remaining, 232.851562 MB of memory in use. ENERGY: 1946600 3942.1924 20437.5237 14496.0707 228.7417 -203220.7018 2391.2291 0.0000 0.0000 51605.4425 -110119.5016 296.5772 -161724.9441 -109772.0175 297.2476 -57.4330 -19.1301 760514.6732 -11.2440 -11.4712 PRESSURE: 1946800 368.954 -178.414 252.52 -178.412 -38.9553 304.66 252.52 304.661 -227.538 GPRESSURE: 1946800 320.73 -118.357 173.94 -83.4496 54.6373 333.935 233.651 201.849 -191.573 PRESSAVG: 1946800 63.9149 -21.4671 -41.3413 -21.4672 -29.4604 77.3171 -41.3413 77.317 -12.0767 GPRESSAVG: 1946800 63.7055 -23.9963 -41.2904 -19.2458 -28.6216 77.7656 -41.0256 77.684 -12.4548 TIMING: 1946800 CPU: 6228.07, 0.00312382/step Wall: 6228.07, 0.00312382/step, 2.64935 hours remaining, 232.851562 MB of memory in use. ENERGY: 1946800 4009.8020 20434.2322 14402.6188 236.7984 -203424.4827 2297.1274 0.0000 0.0000 52069.3788 -109974.5251 299.2434 -162043.9039 -109612.6465 298.1427 34.1537 61.2647 760413.4784 7.4593 7.5431 PRESSURE: 1947000 -485.137 68.5354 184.756 68.535 448.488 -121.869 184.755 -121.867 317.816 GPRESSURE: 1947000 -308.804 96.7805 76.8993 72.3614 327.891 -66.4359 290.294 -133.203 340.555 PRESSAVG: 1947000 42.7219 -38.8383 27.4483 -38.8384 15.6969 38.3699 27.4483 38.37 30.2663 GPRESSAVG: 1947000 41.9055 -38.7481 27.0665 -39.8649 15.0038 38.5918 25.894 38.1458 31.9241 TIMING: 1947000 CPU: 6228.7, 0.00314745/step Wall: 6228.7, 0.00314745/step, 2.66921 hours remaining, 232.851562 MB of memory in use. ENERGY: 1947000 3912.2668 20353.3551 14371.9662 242.1985 -203232.0352 2253.0127 0.0000 0.0000 51927.7264 -110171.5095 298.4294 -162099.2358 -109808.7836 298.2641 93.7227 119.8807 760393.5938 29.5617 29.6112 PRESSURE: 1947200 -190.29 -44.7951 62.4969 -44.795 -226.651 -150.824 62.4969 -150.825 98.0628 GPRESSURE: 1947200 -136.779 -61.1191 -9.51789 36.3609 -136.974 -126.817 62.5158 -179.779 46.1929 PRESSAVG: 1947200 -18.8119 -90.2183 26.3227 -90.2183 -11.9426 -55.8098 26.3227 -55.8098 -23.9934 GPRESSAVG: 1947200 -17.4986 -89.7978 25.4949 -89.6285 -10.9083 -55.2018 28.0057 -56.8975 -26.0129 TIMING: 1947200 CPU: 6229.32, 0.0031412/step Wall: 6229.32, 0.0031412/step, 2.66373 hours remaining, 232.851562 MB of memory in use. ENERGY: 1947200 3961.6067 20448.0869 14459.9900 258.7311 -203152.8326 2147.0959 0.0000 0.0000 51947.7096 -109929.6124 298.5442 -161877.3220 -109574.8905 297.8668 -106.2927 -75.8533 759166.6611 -18.2493 -18.1399 PRESSURE: 1947400 -109.433 -38.7564 -36.3725 -38.7566 -51.8389 36.2307 -36.3716 36.2303 -251.842 GPRESSURE: 1947400 -56.2195 70.8416 -39.3216 -57.7359 -5.22036 10.1148 83.0075 -4.91973 -257.448 PRESSAVG: 1947400 47.9111 -46.4298 -17.7131 -46.4298 -4.23112 0.492788 -17.713 0.49281 7.40879 GPRESSAVG: 1947400 47.8291 -43.2025 -17.6356 -47.8206 -5.05751 -1.03764 -16.9856 0.949585 9.01081 TIMING: 1947400 CPU: 6229.95, 0.00313389/step Wall: 6229.95, 0.00313389/step, 2.65737 hours remaining, 232.851562 MB of memory in use. ENERGY: 1947400 3947.3353 20513.4455 14495.2377 247.4100 -203256.1553 2342.0989 0.0000 0.0000 52076.8141 -109633.8139 299.2862 -161710.6280 -109264.2850 299.2031 -137.7046 -106.2959 760261.9494 17.0296 17.2608 PRESSURE: 1947600 23.881 108.482 -179.225 108.482 -21.2165 -95.693 -179.225 -95.6927 -123.114 GPRESSURE: 1947600 -3.83146 190.7 -264.315 213.708 33.9512 -81.4621 -183.922 -113.146 -69.2597 PRESSAVG: 1947600 -8.69541 -55.1137 -11.0769 -55.1137 14.7185 35.0754 -11.0769 35.0754 -11.1053 GPRESSAVG: 1947600 -8.91973 -59.2024 -10.8304 -53.6214 14.9247 35.8843 -14.7389 33.2839 -11.2174 TIMING: 1947600 CPU: 6230.57, 0.00312076/step Wall: 6230.57, 0.00312076/step, 2.64606 hours remaining, 232.851562 MB of memory in use. ENERGY: 1947600 4044.8219 20546.6896 14380.6872 244.5351 -203560.8355 2398.2609 0.0000 0.0000 52103.2870 -109842.5540 299.4383 -161945.8410 -109479.4002 298.8119 -40.1498 -13.0467 759415.8215 -1.6941 -1.7375 PRESSURE: 1947800 -339.266 -215.07 -60.8059 -215.07 -54.9398 157.519 -60.8056 157.519 -527.6 GPRESSURE: 1947800 -208.808 -163.623 -92.1462 -163.769 -138.148 109.677 -111.739 291.56 -485.13 PRESSAVG: 1947800 13.0741 -24.8682 -8.504 -24.8681 -3.35805 9.11177 -8.50399 9.11169 -28.5303 GPRESSAVG: 1947800 14.681 -22.5513 -8.63264 -24.8756 -4.54195 9.03062 -5.75135 9.86657 -28.3754 TIMING: 1947800 CPU: 6231.2, 0.00312323/step Wall: 6231.2, 0.00312323/step, 2.64798 hours remaining, 232.851562 MB of memory in use. ENERGY: 1947800 4118.8310 20551.0246 14375.2347 243.7925 -203341.8907 2274.0113 0.0000 0.0000 52076.9965 -109702.0001 299.2872 -161778.9965 -109338.8849 298.2807 -307.2686 -277.3620 760094.3242 -6.2714 -6.0788 PRESSURE: 1948000 187.414 -143.472 -195.629 -143.472 -27.4301 -77.4999 -195.629 -77.5006 130.466 GPRESSURE: 1948000 163.638 -90.947 -189.029 -107.941 106.364 -99.8067 -118.018 -39.4955 108.991 PRESSAVG: 1948000 -31.3264 -76.1423 38.538 -76.1423 7.0924 19.6479 38.5381 19.6479 -4.95599 GPRESSAVG: 1948000 -32.0974 -75.7206 39.3191 -76.9129 9.16834 18.6341 38.1034 18.1472 -6.41075 TIMING: 1948000 CPU: 6231.82, 0.00311712/step Wall: 6231.82, 0.00311712/step, 2.64263 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 4043.5881 20373.5169 14423.4049 237.2141 -203353.5339 2416.9307 0.0000 0.0000 52053.9165 -109804.9627 299.1546 -161858.8792 -109445.6588 298.9968 96.8168 126.3310 757691.1434 -9.7300 -9.7799 PRESSURE: 1948200 14.9465 -8.51216 -38.7106 -8.51164 159.255 -101.436 -38.7103 -101.434 -174.024 GPRESSURE: 1948200 116.395 -75.4738 72.9248 -87.8212 163.938 -84.0479 -53.3633 -194.19 -188.69 PRESSAVG: 1948200 25.9414 -46.7216 41.7609 -46.7216 -25.3556 44.9544 41.7609 44.9544 -35.0159 GPRESSAVG: 1948200 26.3288 -48.5988 39.8666 -45.9952 -27.1002 45.2121 41.9466 44.9188 -32.9978 TIMING: 1948200 CPU: 6232.45, 0.00314255/step Wall: 6232.45, 0.00314255/step, 2.66401 hours remaining, 232.851562 MB of memory in use. ENERGY: 1948200 4011.9410 20355.9343 14378.5058 254.4723 -203135.1765 2481.4216 0.0000 0.0000 52011.4692 -109641.4323 298.9106 -161652.9015 -109276.1571 298.9168 0.0591 30.5475 760893.2242 -11.4767 -11.2564 LDB: ============= START OF LOAD BALANCING ============== 6244.87 LDB: ============== END OF LOAD BALANCING =============== 6244.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6244.87 LDB: ============= START OF LOAD BALANCING ============== 6245.19 LDB: Largest compute 7036 load 0.033528 is 17.2% of average load 0.195441 LDB: Average compute 0.004395 is 2.2% of average load 0.195441 LDB: TIME 6245.19 LOAD: AVG 0.195441 MAX 0.218353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.848 MB LDB: TIME 6245.19 LOAD: AVG 0.195441 MAX 0.218353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: TIME 6245.19 LOAD: AVG 0.195441 MAX 0.218012 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: ============== END OF LOAD BALANCING =============== 6245.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6245.2 PRESSURE: 1948400 35.9217 58.8088 -245.794 58.8085 140.258 30.0039 -245.794 30.0047 -262.189 GPRESSURE: 1948400 126.102 87.7658 -127.246 232.053 165.368 -22.6681 -89.2441 119.954 -296.747 PRESSAVG: 1948400 28.5492 3.46011 -1.60368 3.4601 -15.8266 21.8204 -1.60358 21.8203 -6.65047 GPRESSAVG: 1948400 29.058 6.41864 -0.630717 2.36455 -14.5482 21.1244 -0.230934 25.2609 -8.47034 TIMING: 1948400 CPU: 6233.09, 0.00320212/step Wall: 6233.09, 0.00320212/step, 2.71433 hours remaining, 231.808594 MB of memory in use. ENERGY: 1948400 3830.5646 20448.3755 14505.7343 259.7007 -203259.0115 2560.0965 0.0000 0.0000 51920.5729 -109733.9670 298.3882 -161654.5399 -109379.5989 298.7887 -28.6700 -1.7590 762205.7361 2.0240 2.0131 PRESSURE: 1948600 188.323 75.9605 17.7771 75.9604 -174.647 -207.037 17.7763 -207.037 467.077 GPRESSURE: 1948600 237.119 78.5992 2.67893 100.041 -168.367 -122.945 72.364 -135.284 495.426 PRESSAVG: 1948600 31.802 -24.4929 4.61469 -24.4929 -29.822 70.4138 4.6147 70.4138 6.1647 GPRESSAVG: 1948600 31.9675 -27.2093 4.65341 -24.9608 -29.972 72.7491 2.45507 68.8099 7.00236 TIMING: 1948600 CPU: 6233.72, 0.00314003/step Wall: 6233.72, 0.00314003/step, 2.66153 hours remaining, 231.808594 MB of memory in use. ENERGY: 1948600 3883.6141 20599.8493 14432.1701 229.0455 -203429.5319 2644.4904 0.0000 0.0000 52213.8369 -109426.5256 300.0736 -161640.3625 -109073.2638 299.2564 160.2510 188.0595 761492.0295 2.7149 2.9993 PRESSURE: 1948800 -245.829 -48.6189 180.229 -48.619 50.7507 367.384 180.23 367.385 -152.525 GPRESSURE: 1948800 -109.26 -86.3566 245.493 4.87402 56.594 390.981 92.5803 299.037 -204.616 PRESSAVG: 1948800 6.38215 -35.3907 1.44061 -35.3907 -29.8941 -33.8978 1.44066 -33.8978 6.80307 GPRESSAVG: 1948800 5.81126 -32.9911 1.38949 -35.3378 -30.2754 -35.3362 2.97238 -34.1113 7.07227 TIMING: 1948800 CPU: 6234.35, 0.00313687/step Wall: 6234.35, 0.00313687/step, 2.65867 hours remaining, 231.808594 MB of memory in use. ENERGY: 1948800 3937.6592 20411.4859 14475.6530 240.7374 -203254.9334 2183.1090 0.0000 0.0000 52254.8764 -109751.4125 300.3095 -162006.2889 -109390.7884 299.4830 -115.8677 -85.7608 760744.2184 -5.5696 -5.7973 PRESSURE: 1949000 -65.3721 -53.1336 -76.1561 -53.1334 -118.223 -205.778 -76.1563 -205.777 -291.531 GPRESSURE: 1949000 -58.9574 -66.5427 -113.588 -85.4956 -107.522 -218.081 -47.7551 -121.82 -237.524 PRESSAVG: 1949000 34.028 -47.2122 -56.2447 -47.2122 -46.5273 6.74636 -56.2448 6.74644 -5.12431 GPRESSAVG: 1949000 34.0319 -47.9901 -57.1121 -47.2091 -47.3572 5.56378 -58.244 7.9122 -4.88245 TIMING: 1949000 CPU: 6234.97, 0.00312645/step Wall: 6234.97, 0.00312645/step, 2.64967 hours remaining, 231.808594 MB of memory in use. ENERGY: 1949000 3918.2905 20433.6706 14469.4225 264.8213 -202919.8135 1930.9895 0.0000 0.0000 52114.6812 -109787.9380 299.5038 -161902.6192 -109425.5387 298.8317 -158.3754 -134.6679 762260.4692 -5.8745 -6.0692 PRESSURE: 1949200 224.13 -155.525 -271.081 -155.526 -392.398 37.5804 -271.082 37.5794 245.063 GPRESSURE: 1949200 189.293 -200.383 -257.286 -57.402 -296.561 16.5121 -161.395 -1.74334 259.075 PRESSAVG: 1949200 29.4749 -65.691 -5.48488 -65.691 -54.4498 11.4138 -5.48488 11.4138 -21.601 GPRESSAVG: 1949200 29.5728 -67.767 -4.65105 -65.4291 -54.9485 12.9375 -5.05082 8.5167 -21.4331 TIMING: 1949200 CPU: 6235.6, 0.00313249/step Wall: 6235.6, 0.00313249/step, 2.65461 hours remaining, 231.808594 MB of memory in use. ENERGY: 1949200 4046.9739 20516.8307 14462.3432 254.6995 -203711.3599 2623.3275 0.0000 0.0000 51910.0590 -109897.1262 298.3278 -161807.1851 -109537.9722 298.6956 25.5983 50.6024 760876.7814 -15.5253 -15.6029 PRESSURE: 1949400 -21.4949 17.0303 175.312 17.0307 -249.88 -280.164 175.311 -280.163 -241.147 GPRESSURE: 1949400 19.5677 4.84884 146.423 72.5463 -200.159 -321.233 137.228 -360.086 -243.616 PRESSAVG: 1949400 44.8285 -53.6371 -15.6191 -53.6371 -25.3869 -5.96085 -15.6191 -5.96084 2.64484 GPRESSAVG: 1949400 45.3118 -50.735 -14.6973 -54.595 -25.2533 -6.9022 -15.2317 -3.52515 3.03088 TIMING: 1949400 CPU: 6236.23, 0.00314148/step Wall: 6236.23, 0.00314148/step, 2.66206 hours remaining, 231.808594 MB of memory in use. ENERGY: 1949400 3952.6562 20434.1690 14450.2262 246.5615 -203570.4461 2589.9982 0.0000 0.0000 52057.3531 -109839.4817 299.1743 -161896.8348 -109469.3127 299.5726 -170.8406 -141.4024 760824.1317 7.3622 7.6965 PRESSURE: 1949600 -90.8196 105.521 166.361 105.522 216.71 167.126 166.361 167.125 -26.7927 GPRESSURE: 1949600 -24.1638 143.779 282.369 16.9439 240.366 159.653 138.178 55.2497 -21.1766 PRESSAVG: 1949600 31.3965 -30.234 -5.83189 -30.2339 29.7978 -17.2623 -5.83188 -17.2625 12.146 GPRESSAVG: 1949600 30.9636 -33.5108 -6.53645 -29.7855 29.3754 -16.8736 -6.04989 -19.3528 12.7596 TIMING: 1949600 CPU: 6236.85, 0.00312927/step Wall: 6236.85, 0.00312927/step, 2.65153 hours remaining, 231.808594 MB of memory in use. ENERGY: 1949600 3976.4802 20478.4427 14458.0174 245.8920 -203624.7099 2534.4019 0.0000 0.0000 52103.5286 -109827.9471 299.4397 -161931.4757 -109468.5064 298.7223 33.0327 65.0085 760992.9515 24.4468 24.3662 PRESSURE: 1949800 -183.906 63.9787 -213.233 63.9787 -199.411 -9.28871 -213.234 -9.28897 -219.97 GPRESSURE: 1949800 -174.829 120.419 -325.857 -21.5279 -171.284 64.2008 -90.9636 123.279 -162.496 PRESSAVG: 1949800 -3.03918 -44.9341 -10.4502 -44.9341 2.06399 -24.6117 -10.4502 -24.6117 5.84998 GPRESSAVG: 1949800 -4.15786 -43.2577 -11.2926 -44.3783 4.24356 -24.7432 -7.97994 -22.841 4.83398 TIMING: 1949800 CPU: 6237.48, 0.00313313/step Wall: 6237.48, 0.00313313/step, 2.65463 hours remaining, 231.808594 MB of memory in use. ENERGY: 1949800 3968.4437 20505.8103 14476.5188 254.4230 -203204.3567 2357.2805 0.0000 0.0000 52079.0166 -109562.8638 299.2988 -161641.8804 -109200.4542 299.0444 -201.0955 -169.5363 761923.8413 1.6249 1.6399 PRESSURE: 1950000 -261.823 50.6512 -23.213 50.6514 18.1707 76.3737 -23.2136 76.3735 -447.473 GPRESSURE: 1950000 -225.54 7.47222 106.807 3.18533 48.4322 115.886 -75.5659 2.22508 -421.016 PRESSAVG: 1950000 -11.9331 -21.1949 -2.2257 -21.1949 11.203 -30.8204 -2.22566 -30.8203 -11.1093 GPRESSAVG: 1950000 -10.8438 -20.4216 -2.27661 -22.9853 9.60524 -30.5102 -3.56682 -30.5373 -10.2355 TIMING: 1950000 CPU: 6238.11, 0.0031566/step Wall: 6238.11, 0.0031566/step, 2.67434 hours remaining, 231.808594 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: 1950000 4056.0979 20621.5517 14501.5280 237.9486 -203503.4567 2459.8819 0.0000 0.0000 52092.4862 -109533.9623 299.3762 -161626.4485 -109169.9532 299.7975 -230.3751 -199.3746 759836.5807 -3.9465 -3.8247 PRESSURE: 1950200 208.17 11.2649 77.9484 11.2653 -49.8029 -103.508 77.9493 -103.508 -53.1974 GPRESSURE: 1950200 314.727 87.8832 68.8045 -59.171 -51.9566 -142.664 83.7368 -43.3466 -68.6235 PRESSAVG: 1950200 -15.7781 -23.033 -46.0242 -23.0331 11.0645 -3.90237 -46.0243 -3.90238 -14.9888 GPRESSAVG: 1950200 -16.2683 -24.2521 -46.5627 -20.8993 10.5954 -2.67937 -47.3977 -4.92586 -13.9441 TIMING: 1950200 CPU: 6238.74, 0.00314141/step Wall: 6238.74, 0.00314141/step, 2.66129 hours remaining, 231.808594 MB of memory in use. ENERGY: 1950200 4019.7591 20708.5049 14511.9783 242.6012 -203444.1807 2317.0906 0.0000 0.0000 52033.8343 -109610.4121 299.0392 -161644.2464 -109254.3438 299.1066 35.0566 64.7157 759340.2751 -6.5675 -6.5390 PRESSURE: 1950400 -116.653 121.987 -122.965 121.987 -415.081 -54.6547 -122.965 -54.6549 -213.258 GPRESSURE: 1950400 -111.807 64.1399 -237.988 109.809 -360.099 -133.906 -134.991 31.3525 -205.672 PRESSAVG: 1950400 22.0296 -23.0592 -32.2914 -23.0592 -34.9285 -41.2906 -32.2913 -41.2906 -12.2955 GPRESSAVG: 1950400 21.4153 -24.1311 -31.3993 -24.1845 -32.2338 -43.6161 -32.5874 -40.7651 -14.8605 TIMING: 1950400 CPU: 6239.37, 0.00314913/step Wall: 6239.37, 0.00314913/step, 2.66767 hours remaining, 231.808594 MB of memory in use. ENERGY: 1950400 3961.4497 20653.8182 14447.8980 260.3840 -203088.2786 2347.5202 0.0000 0.0000 52129.2792 -109287.9292 299.5877 -161417.2084 -108924.6521 299.5183 -248.3307 -225.8596 761461.5408 -8.3981 -8.5597 PRESSURE: 1950600 73.7968 23.2016 99.6736 23.2007 -252.599 25.8843 99.6734 25.8836 84.8597 GPRESSURE: 1950600 91.5358 122.811 26.9307 61.3283 -153.526 -34.3992 222.436 156.896 38.3929 PRESSAVG: 1950600 46.8174 20.6362 32.1254 20.6362 -59.7197 -65.726 32.1253 -65.7261 2.60704 GPRESSAVG: 1950600 47.9577 24.5248 31.9885 21.4039 -61.2293 -63.1592 31.6964 -67.6803 3.21123 TIMING: 1950600 CPU: 6240, 0.00314506/step Wall: 6240, 0.00314506/step, 2.66404 hours remaining, 231.808594 MB of memory in use. ENERGY: 1950600 3989.0463 20542.5375 14401.1694 220.9146 -203484.7995 2510.6371 0.0000 0.0000 52289.4742 -109531.0205 300.5083 -161820.4947 -109174.1009 299.9404 -31.3141 -7.8657 761507.1720 -3.4318 -3.3535 PRESSURE: 1950800 58.2731 68.8874 46.6364 68.8882 188.326 -211.537 46.6364 -211.535 52.7131 GPRESSURE: 1950800 130.305 15.9664 115.613 63.7396 163.148 -174.154 112.406 -176.867 72.5956 PRESSAVG: 1950800 19.9487 -27.3013 22.0566 -27.3014 -16.0762 -8.75729 22.0566 -8.75727 -7.08424 GPRESSAVG: 1950800 20.066 -28.8381 21.6881 -27.9725 -16.182 -10.5072 22.7474 -7.16067 -6.63856 TIMING: 1950800 CPU: 6240.63, 0.00314072/step Wall: 6240.63, 0.00314072/step, 2.66019 hours remaining, 231.808594 MB of memory in use. ENERGY: 1950800 4043.4854 20559.6334 14519.9436 244.7899 -203541.3367 2610.4822 0.0000 0.0000 52188.7159 -109374.2864 299.9293 -161563.0022 -108997.1124 300.0119 99.7706 122.0159 759935.9680 -1.0706 -0.9182 PRESSURE: 1951000 -29.2902 312.968 226.516 312.968 175.888 128.647 226.516 128.647 10.7471 GPRESSURE: 1951000 -5.03625 223.362 216.907 283.345 223.282 220.541 88.8268 128.117 19.3579 PRESSAVG: 1951000 65.3446 33.6814 24.3616 33.6814 -63.9039 20.0878 24.3617 20.0878 -11.7343 GPRESSAVG: 1951000 63.6391 30.5774 24.6123 34.0312 -62.5404 21.4699 22.8287 20.5212 -11.2869 TIMING: 1951000 CPU: 6241.25, 0.00313169/step Wall: 6241.25, 0.00313169/step, 2.65237 hours remaining, 231.808594 MB of memory in use. ENERGY: 1951000 3993.0069 20757.8009 14437.3526 250.7073 -203721.8721 2781.6473 0.0000 0.0000 51904.6388 -109596.7184 298.2967 -161501.3572 -109234.0352 299.7389 52.4481 79.2013 760768.5878 -3.4312 -3.3961 PRESSURE: 1951200 -107.032 115.099 46.1221 115.101 -115.882 -55.49 46.1222 -55.4903 14.4279 GPRESSURE: 1951200 -97.3844 55.9195 74.6476 68.0446 -3.99091 -80.1637 181.167 -110.99 -13.046 PRESSAVG: 1951200 -9.59768 -9.3073 33.528 -9.30729 -7.99794 36.6498 33.5281 36.6498 7.94036 GPRESSAVG: 1951200 -7.38732 -7.51689 33.6657 -8.64534 -9.3498 35.2803 33.5412 36.2678 7.21416 TIMING: 1951200 CPU: 6241.88, 0.00314923/step Wall: 6241.88, 0.00314923/step, 2.66705 hours remaining, 231.808594 MB of memory in use. ENERGY: 1951200 4012.7971 20609.5242 14429.9714 243.3399 -203364.9130 2370.9706 0.0000 0.0000 52324.1166 -109374.1933 300.7074 -161698.3099 -109008.9561 299.9843 -69.4956 -38.1404 760730.9152 -3.2184 -3.1743 PRESSURE: 1951400 317.001 5.56791 97.0824 5.56815 -194.86 168.233 97.0822 168.233 36.4043 GPRESSURE: 1951400 310.298 80.4102 78.3098 -69.972 -187.092 211.905 98.4479 109.506 127.156 PRESSAVG: 1951400 22.1065 -14.3236 27.5539 -14.3236 -45.2613 58.4512 27.5539 58.4512 22.7681 GPRESSAVG: 1951400 20.9959 -14.1301 28.1797 -14.4561 -45.5849 58.6455 27.7772 58.5102 23.9089 TIMING: 1951400 CPU: 6242.51, 0.00316408/step Wall: 6242.51, 0.00316408/step, 2.67945 hours remaining, 231.808594 MB of memory in use. ENERGY: 1951400 3993.6733 20655.1524 14413.2903 244.6726 -203977.4094 2771.1332 0.0000 0.0000 52295.8224 -109603.6653 300.5448 -161899.4877 -109234.0195 299.7333 52.8482 83.4540 759980.9398 -0.1289 -0.2267 PRESSURE: 1951600 52.0093 277.33 117.128 277.33 75.3378 -82.029 117.128 -82.0298 -153.133 GPRESSURE: 1951600 69.1881 262.011 205.659 398.915 156.67 -167.486 77.2892 -38.5685 -162.309 PRESSAVG: 1951600 8.15384 -55.3901 37.475 -55.3901 -7.91482 63.8518 37.475 63.8518 17.0824 GPRESSAVG: 1951600 8.85443 -54.35 35.332 -56.7156 -8.12534 64.2107 40.1747 64.1405 16.2721 TIMING: 1951600 CPU: 6243.14, 0.00313608/step Wall: 6243.14, 0.00313608/step, 2.65557 hours remaining, 231.808594 MB of memory in use. ENERGY: 1951600 4000.5954 20567.8917 14457.5359 241.4943 -203520.3416 2474.0881 0.0000 0.0000 52014.7900 -109763.9461 298.9297 -161778.7361 -109399.3523 299.3738 -8.5954 21.1830 760094.5571 5.7738 5.6671 PRESSURE: 1951800 84.7221 51.6929 159.6 51.6925 166.586 197.146 159.601 197.146 223.995 GPRESSURE: 1951800 166.527 9.06333 183.186 118.714 138.735 192.314 108.975 61.1148 256.785 PRESSAVG: 1951800 -19.6463 -37.011 68.71 -37.011 24.4586 -20.6109 68.7101 -20.6109 12.5537 GPRESSAVG: 1951800 -20.7093 -38.2357 70.8275 -37.394 24.3614 -21.249 66.4092 -20.7642 13.5996 TIMING: 1951800 CPU: 6243.77, 0.00315568/step Wall: 6243.77, 0.00315568/step, 2.67198 hours remaining, 231.808594 MB of memory in use. ENERGY: 1951800 3982.9975 20618.5397 14366.9559 235.6804 -203698.2457 2576.3565 0.0000 0.0000 51976.0940 -109941.6217 298.7073 -161917.7156 -109577.4427 298.8494 158.4342 187.3492 761180.2997 5.7887 5.7505 PRESSURE: 1952000 -110.019 -217.256 -235.075 -217.256 -49.2356 -285.224 -235.076 -285.223 -128.656 GPRESSURE: 1952000 -101.936 -210.166 -204.627 -47.9094 -48.5949 -273.499 -110.836 -289.879 -44.9761 PRESSAVG: 1952000 32.5477 -24.5321 -5.5758 -24.5321 -32.9194 -20.7651 -5.57574 -20.7651 -22.3176 GPRESSAVG: 1952000 31.3932 -23.3495 -5.00693 -23.7462 -31.4662 -20.0602 -5.55254 -19.3543 -22.8188 TIMING: 1952000 CPU: 6244.4, 0.00314047/step Wall: 6244.4, 0.00314047/step, 2.65893 hours remaining, 231.808594 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: 1952000 4046.7784 20584.9705 14402.4208 249.9923 -203748.4875 2857.9645 0.0000 0.0000 51839.7552 -109766.6058 297.9238 -161606.3610 -109406.0585 298.8191 -95.9703 -65.1691 762212.8480 -7.5631 -7.6306 PRESSURE: 1952200 33.6627 -37.7512 148.84 -37.7519 -68.3287 3.79645 148.841 3.7966 -406.744 GPRESSURE: 1952200 81.7353 -113.221 110.1 -67.8758 -29.6813 -131.234 99.9119 4.76481 -410.747 PRESSAVG: 1952200 -44.122 -18.9567 9.36269 -18.9566 30.5206 -11.9206 9.36268 -11.9205 -1.95734 GPRESSAVG: 1952200 -43.5714 -19.2731 7.84937 -19.0838 30.5747 -12.8995 10.3732 -12.8564 -2.2174 TIMING: 1952200 CPU: 6245.03, 0.00312455/step Wall: 6245.03, 0.00312455/step, 2.64528 hours remaining, 231.808594 MB of memory in use. ENERGY: 1952200 3971.7820 20469.8019 14474.9521 265.2019 -203459.0627 2572.4543 0.0000 0.0000 52025.3764 -109679.4941 298.9906 -161704.8705 -109311.5912 299.2847 -147.1368 -119.5644 762462.5256 -5.1863 -5.0714 LDB: ============= START OF LOAD BALANCING ============== 6257.45 LDB: ============== END OF LOAD BALANCING =============== 6257.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6257.45 LDB: ============= START OF LOAD BALANCING ============== 6257.76 LDB: Largest compute 7069 load 0.032738 is 16.7% of average load 0.195521 LDB: Average compute 0.004392 is 2.2% of average load 0.195521 LDB: TIME 6257.77 LOAD: AVG 0.195521 MAX 0.214624 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.625 MB LDB: TIME 6257.77 LOAD: AVG 0.195521 MAX 0.214624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: TIME 6257.77 LOAD: AVG 0.195521 MAX 0.214624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: ============== END OF LOAD BALANCING =============== 6257.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6257.77 PRESSURE: 1952400 -156.988 49.2444 -157.887 49.2447 -91.8433 -79.2285 -157.887 -79.2284 -40.962 GPRESSURE: 1952400 -105.774 85.8572 -103.451 -21.6002 -108.49 -99.1767 -83.9079 -41.9091 14.5468 PRESSAVG: 1952400 2.04336 -17.5491 -22.8583 -17.5491 14.329 -3.67735 -22.8583 -3.67739 -5.11985 GPRESSAVG: 1952400 2.4426 -16.5395 -21.5085 -20.0361 14.0212 -3.09066 -23.5872 -4.12694 -4.57416 TIMING: 1952400 CPU: 6245.67, 0.00321167/step Wall: 6245.67, 0.00321167/step, 2.71886 hours remaining, 232.203125 MB of memory in use. ENERGY: 1952400 3957.3423 20535.0544 14448.6158 241.6999 -203355.8243 2383.1342 0.0000 0.0000 52111.1356 -109678.8421 299.4834 -161789.9777 -109322.6930 299.2802 -96.5978 -66.5723 762576.1657 3.7508 3.9632 PRESSURE: 1952600 10.9931 -195.365 18.7981 -195.364 132.325 219.122 18.7989 219.122 131.595 GPRESSURE: 1952600 38.88 -161.338 40.2303 -239.391 151.295 291.475 90.0573 192.396 151.315 PRESSAVG: 1952600 -15.7501 -36.3501 3.41663 -36.35 -6.74781 -5.20446 3.41661 -5.20447 -28.4773 GPRESSAVG: 1952600 -15.738 -37.6649 3.09867 -35.2105 -6.90029 -4.89651 5.69354 -4.87843 -28.2966 TIMING: 1952600 CPU: 6246.3, 0.00315748/step Wall: 6246.3, 0.00315748/step, 2.67281 hours remaining, 232.406250 MB of memory in use. ENERGY: 1952600 3936.2220 20701.5018 14451.7477 261.2834 -203345.5310 2529.5257 0.0000 0.0000 51687.5832 -109777.6671 297.0493 -161465.2504 -109421.9413 298.7739 91.6377 113.8299 763009.2397 -16.9917 -16.9783 PRESSURE: 1952800 64.0621 102.165 -25.1757 102.165 -14.9742 -157.438 -25.1752 -157.438 -83.3162 GPRESSURE: 1952800 120.127 -57.3107 22.3953 137.31 -14.9556 -131.943 -44.6959 -269.235 -40.179 PRESSAVG: 1952800 -22.0195 -70.7478 -6.08142 -70.7478 11.6881 39.5611 -6.08143 39.5612 -5.51968 GPRESSAVG: 1952800 -21.5507 -70.4184 -6.01031 -68.0524 11.0132 38.9926 -9.32691 40.6943 -5.30518 TIMING: 1952800 CPU: 6246.93, 0.00314526/step Wall: 6246.93, 0.00314526/step, 2.66229 hours remaining, 232.406250 MB of memory in use. ENERGY: 1952800 4055.8553 20489.3092 14450.2412 238.3564 -203618.3191 2536.7976 0.0000 0.0000 52154.8971 -109692.8623 299.7349 -161847.7593 -109331.8605 299.3482 -11.4094 21.6641 762236.9724 -5.2837 -5.2809 PRESSURE: 1953000 -135.405 101.299 109.997 101.299 -38.5079 -21.92 109.997 -21.9198 -390.342 GPRESSURE: 1953000 -113.658 77.5677 84.525 148.746 -20.6344 -9.14558 25.2098 68.1476 -328.03 PRESSAVG: 1953000 3.43575 -12.8179 -6.0318 -12.8179 1.14396 10.0044 -6.03182 10.0043 8.32224 GPRESSAVG: 1953000 3.39094 -11.5593 -6.91399 -13.4845 1.23972 9.93923 -5.02121 9.19415 7.83207 TIMING: 1953000 CPU: 6247.56, 0.00315045/step Wall: 6247.56, 0.00315045/step, 2.66651 hours remaining, 232.406250 MB of memory in use. ENERGY: 1953000 4011.4497 20472.1945 14414.3297 250.6737 -203611.9471 2619.0653 0.0000 0.0000 52070.4715 -109773.7627 299.2497 -161844.2342 -109409.8837 299.0330 -188.0851 -154.1073 761409.5659 4.3006 4.1542 PRESSURE: 1953200 -239.904 -154.885 60.4489 -154.884 -274.059 108.063 60.4497 108.064 -281.847 GPRESSURE: 1953200 -240.498 -118.954 128.224 -171.253 -244.157 72.6478 19.0787 57.2744 -218.744 PRESSAVG: 1953200 67.5778 -23.6042 21.0548 -23.6041 -44.0475 13.9972 21.0547 13.9971 -7.34982 GPRESSAVG: 1953200 66.1975 -22.8878 21.3431 -25.1276 -42.0354 12.3807 18.5796 12.2909 -7.64617 TIMING: 1953200 CPU: 6248.19, 0.00314073/step Wall: 6248.19, 0.00314073/step, 2.6581 hours remaining, 232.406250 MB of memory in use. ENERGY: 1953200 3974.5160 20561.6809 14393.1390 234.7967 -203550.6542 2460.7311 0.0000 0.0000 52194.9971 -109730.7934 299.9654 -161925.7906 -109361.5518 299.1286 -265.2699 -234.4663 761576.4455 5.3935 5.5053 PRESSURE: 1953400 160.095 -31.6025 -208.054 -31.603 -153.704 -91.7516 -208.054 -91.7521 106.293 GPRESSURE: 1953400 187.01 32.9004 -210.094 9.49827 -88.7529 -155.383 -266.533 -16.3643 99.9134 PRESSAVG: 1953400 -45.9243 -19.1476 -6.42467 -19.1475 35.7003 -15.078 -6.42467 -15.078 -5.35492 GPRESSAVG: 1953400 -44.5177 -20.7194 -5.89695 -16.547 33.7007 -13.4099 -4.0229 -13.6672 -4.46871 TIMING: 1953400 CPU: 6248.82, 0.00315837/step Wall: 6248.82, 0.00315837/step, 2.67286 hours remaining, 232.406250 MB of memory in use. ENERGY: 1953400 3931.1975 20711.9911 14421.0350 239.8614 -203637.1136 2489.9419 0.0000 0.0000 52087.4535 -109755.6333 299.3473 -161843.0868 -109393.2121 298.7806 37.5612 66.0568 761628.4781 -5.1930 -5.0952 PRESSURE: 1953600 75.218 -190.393 67.0084 -190.393 59.7989 -21.924 67.0087 -21.924 41.9467 GPRESSURE: 1953600 124.856 -205.333 134.005 -157.065 133.782 -1.64521 -8.35229 43.24 7.0028 PRESSAVG: 1953600 31.0675 -26.6888 -5.77978 -26.6887 7.17109 12.5021 -5.77985 12.5021 13.7034 GPRESSAVG: 1953600 29.4336 -25.7628 -5.44624 -29.7015 8.67211 11.5492 -6.04872 14.8285 13.8348 TIMING: 1953600 CPU: 6249.45, 0.00316079/step Wall: 6249.45, 0.00316079/step, 2.67473 hours remaining, 232.406250 MB of memory in use. ENERGY: 1953600 3988.4567 20575.9636 14471.2792 249.8143 -203920.1631 2771.4288 0.0000 0.0000 52005.7729 -109857.4476 298.8779 -161863.2205 -109498.3466 299.3236 58.9879 88.5469 759263.3472 17.3140 17.3135 PRESSURE: 1953800 -439.833 -23.6987 160.711 -23.6979 -306.922 -74.4703 160.712 -74.4706 -93.4562 GPRESSURE: 1953800 -278.767 -94.4466 251.561 -29.3425 -342.124 -73.6841 93.8688 -18.683 -116.071 PRESSAVG: 1953800 -56.5533 -67.933 -6.04969 -67.933 52.0182 -38.9656 -6.04969 -38.9656 5.73319 GPRESSAVG: 1953800 -55.8302 -67.9547 -5.02624 -67.2624 52.1161 -38.9755 -4.14443 -41.6392 4.53663 TIMING: 1953800 CPU: 6250.08, 0.00314388/step Wall: 6250.08, 0.00314388/step, 2.66024 hours remaining, 232.406250 MB of memory in use. ENERGY: 1953800 4024.3425 20562.3889 14325.6055 248.5232 -203342.0214 2240.8848 0.0000 0.0000 52040.6457 -109899.6308 299.0783 -161940.2765 -109539.1876 299.0793 -280.0703 -245.6539 761795.4414 0.3994 0.2742 PRESSURE: 1954000 -282.485 14.1909 94.7674 14.1906 -299.243 90.9523 94.7671 90.9538 -92.3531 GPRESSURE: 1954000 -125.37 -18.8321 102.595 -2.29883 -322.213 55.1338 88.3761 128.175 -134.505 PRESSAVG: 1954000 4.35047 -16.4804 23.9378 -16.4804 -28.0933 28.6435 23.9378 28.6434 -5.44779 GPRESSAVG: 1954000 4.91665 -16.9861 20.4402 -16.6594 -27.9587 29.3188 24.8437 28.0474 -6.07167 TIMING: 1954000 CPU: 6250.71, 0.00314439/step Wall: 6250.71, 0.00314439/step, 2.66051 hours remaining, 232.406250 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: 1954000 3999.5142 20508.9518 14368.0206 236.2231 -203598.6536 2667.0512 0.0000 0.0000 51930.3439 -109888.5489 298.4444 -161818.8928 -109524.0333 299.0461 -224.6937 -194.0294 762021.3089 -9.7302 -9.7046 PRESSURE: 1954200 -233.002 -119.385 -242.155 -119.384 36.3315 -351.304 -242.154 -351.303 -89.4916 GPRESSURE: 1954200 -120.107 -160.801 -268.245 -121.218 104.769 -266.491 -152.855 -243.088 -170.255 PRESSAVG: 1954200 -96.7561 -70.6426 -2.53287 -70.6427 48.7273 -14.7319 -2.53284 -14.7318 -14.7085 GPRESSAVG: 1954200 -95.8548 -71.8095 -1.27578 -70.8292 47.1757 -13.6205 -4.05718 -12.9711 -14.385 TIMING: 1954200 CPU: 6251.34, 0.00314598/step Wall: 6251.34, 0.00314598/step, 2.66167 hours remaining, 232.406250 MB of memory in use. ENERGY: 1954200 4005.0713 20508.1093 14459.2859 253.0640 -203477.3662 2686.5298 0.0000 0.0000 52075.9678 -109489.3382 299.2813 -161565.3059 -109117.3775 299.7653 -95.3875 -61.8642 761172.1535 -20.9124 -21.0214 PRESSURE: 1954400 139.314 97.9172 55.7687 97.9164 -116.504 -165.942 55.7693 -165.942 -182.607 GPRESSURE: 1954400 171.77 148.976 11.4312 42.0828 -88.0032 -93.2199 -38.3225 -172.746 -153.295 PRESSAVG: 1954400 34.8324 18.165 45.2992 18.1649 19.18 -27.4415 45.2991 -27.4415 5.94654 GPRESSAVG: 1954400 33.5067 20.21 44.5039 19.7384 19.9243 -28.7191 45.2402 -26.1952 6.70203 TIMING: 1954400 CPU: 6251.97, 0.00315728/step Wall: 6251.97, 0.00315728/step, 2.67106 hours remaining, 232.406250 MB of memory in use. ENERGY: 1954400 3942.8733 20558.8612 14467.4699 255.8587 -203450.6457 2394.2409 0.0000 0.0000 52192.2968 -109639.0450 299.9498 -161831.3418 -109268.7995 299.8877 -53.2658 -23.1762 760520.8569 19.9863 20.0443 PRESSURE: 1954600 -165.807 -54.8638 -22.9047 -54.8637 -108.281 73.963 -22.905 73.963 14.3001 GPRESSURE: 1954600 -119.986 -82.1426 3.81825 -122.111 -109.716 141.136 -64.1069 33.5238 61.2497 PRESSAVG: 1954600 24.0762 -66.6084 2.07508 -66.6084 -33.6379 -27.1657 2.07501 -27.1657 -6.2075 GPRESSAVG: 1954600 23.6885 -68.9361 3.16596 -66.6462 -33.0032 -26.4344 1.34978 -29.0963 -6.43178 TIMING: 1954600 CPU: 6252.6, 0.00314193/step Wall: 6252.6, 0.00314193/step, 2.65789 hours remaining, 232.406250 MB of memory in use. ENERGY: 1954600 3974.3523 20340.9607 14528.1121 244.4524 -203300.0034 2394.3893 0.0000 0.0000 52071.4024 -109746.3341 299.2551 -161817.7366 -109377.4108 299.7103 -86.5960 -56.1507 760438.2754 -5.2564 -5.2488 PRESSURE: 1954800 50.8213 -232.432 2.19086 -232.432 86.8095 -119.677 2.19015 -119.676 123.855 GPRESSURE: 1954800 77.7311 -79.1747 46.5079 -217.076 153.001 -129.001 -4.28459 -193.48 114.576 PRESSAVG: 1954800 55.704 -78.893 41.4263 -78.893 -63.7277 10.4461 41.4263 10.4462 -9.42184 GPRESSAVG: 1954800 54.8638 -76.4779 41.1834 -79.0892 -63.0793 10.9537 43.4169 9.12682 -9.33534 TIMING: 1954800 CPU: 6253.23, 0.00315096/step Wall: 6253.23, 0.00315096/step, 2.66536 hours remaining, 232.406250 MB of memory in use. ENERGY: 1954800 4060.8262 20521.5634 14522.7758 250.9093 -203491.1638 2506.2644 0.0000 0.0000 51971.6388 -109657.1859 298.6817 -161628.8247 -109288.3400 298.9779 87.1618 115.1026 758649.4817 -5.8152 -5.8503 PRESSURE: 1955000 220.899 -15.6702 45.8192 -15.6703 -340.748 -128.54 45.8196 -128.54 216.425 GPRESSURE: 1955000 265.377 -4.73186 37.7928 -48.7596 -197.397 -36.7201 143.787 -166.998 112.917 PRESSAVG: 1955000 5.63792 -43.7936 -2.93938 -43.7936 1.5358 13.7914 -2.93936 13.7914 15.7151 GPRESSAVG: 1955000 8.24921 -46.5987 -3.10757 -43.1286 0.411464 13.2757 -4.48078 13.4861 14.9452 TIMING: 1955000 CPU: 6253.86, 0.00313778/step Wall: 6253.86, 0.00313778/step, 2.65404 hours remaining, 232.406250 MB of memory in use. ENERGY: 1955000 3884.1351 20455.4999 14409.5424 239.3597 -203566.2651 2496.7629 0.0000 0.0000 52138.9939 -109941.9712 299.6435 -162080.9650 -109572.7558 298.9055 32.1920 60.2991 761105.9315 7.6296 7.8686 PRESSURE: 1955200 -207.348 -58.6657 241.309 -58.6653 258.581 154.856 241.31 154.856 -360.068 GPRESSURE: 1955200 -146.247 -63.4746 214.548 -96.086 251.544 162.66 222.309 129.883 -342.045 PRESSAVG: 1955200 -41.2124 -32.7066 -7.42366 -32.7067 17.2079 -24.5269 -7.42364 -24.5268 13.8944 GPRESSAVG: 1955200 -43.8897 -32.7337 -6.8848 -32.5429 18.5109 -25.0431 -6.45389 -22.2241 15.4536 TIMING: 1955200 CPU: 6254.49, 0.00314865/step Wall: 6254.49, 0.00314865/step, 2.66306 hours remaining, 232.406250 MB of memory in use. ENERGY: 1955200 3965.0414 20485.0050 14480.0461 256.7393 -203552.2738 2435.6489 0.0000 0.0000 51982.9435 -109946.8496 298.7467 -161929.7931 -109579.4474 298.5288 -102.9451 -78.9158 759973.4633 -3.3700 -3.3084 PRESSURE: 1955400 -151.798 -180.885 141.479 -180.885 -202.129 10.5952 141.479 10.5952 -52.5108 GPRESSURE: 1955400 -229.869 -236.848 234.374 -179.781 -127.13 35.7387 116.379 -114.096 41.0693 PRESSAVG: 1955400 -36.3147 1.65422 47.7538 1.65423 64.1716 1.05632 47.7538 1.05632 -17.2897 GPRESSAVG: 1955400 -35.1764 0.714247 48.3349 1.98477 63.4188 1.41539 45.0772 0.273753 -17.9149 TIMING: 1955400 CPU: 6255.11, 0.00314705/step Wall: 6255.11, 0.00314705/step, 2.66153 hours remaining, 232.406250 MB of memory in use. ENERGY: 1955400 3940.7001 20407.6474 14476.2136 238.3056 -203286.4907 2320.6362 0.0000 0.0000 52145.0874 -109757.9004 299.6785 -161902.9878 -109386.3559 297.8228 -135.4791 -105.3096 759430.7787 3.5224 3.4425 PRESSURE: 1955600 182.039 168.57 -184.61 168.57 377.692 -155.764 -184.609 -155.764 -136.78 GPRESSURE: 1955600 153.986 54.7266 -207.643 157.323 541.606 -85.7431 -158.757 -141.669 -193.441 PRESSAVG: 1955600 23.8238 10.6812 19.1492 10.6812 33.5914 20.0913 19.1493 20.0914 22.2214 GPRESSAVG: 1955600 24.2526 13.8875 18.9622 8.31536 34.1036 20.6625 19.4417 19.588 21.3786 TIMING: 1955600 CPU: 6255.74, 0.00314616/step Wall: 6255.74, 0.00314616/step, 2.6606 hours remaining, 232.406250 MB of memory in use. ENERGY: 1955600 3933.2868 20577.9995 14469.1006 235.2696 -203710.5259 2585.8192 0.0000 0.0000 52062.6207 -109846.4295 299.2046 -161909.0502 -109478.8721 298.7956 140.9836 167.3837 759563.9374 26.5455 26.5783 PRESSURE: 1955800 -176.452 228.891 72.68 228.891 169.439 23.9589 72.68 23.9596 -9.94885 GPRESSURE: 1955800 -39.6102 152.18 110.451 135.561 145.098 35.3901 106.691 -143.211 -17.9646 PRESSAVG: 1955800 -28.27 -69.5391 -15.7787 -69.539 18.932 14.7147 -15.7788 14.7147 -3.15752 GPRESSAVG: 1955800 -28.6596 -69.8458 -17.2038 -67.8207 18.6813 14.0686 -14.2836 12.8141 -2.46053 TIMING: 1955800 CPU: 6256.37, 0.0031492/step Wall: 6256.37, 0.0031492/step, 2.663 hours remaining, 232.406250 MB of memory in use. ENERGY: 1955800 3989.4452 20421.9861 14452.4969 262.6550 -203770.1304 2863.6428 0.0000 0.0000 51703.6050 -110076.2994 297.1413 -161779.9045 -109714.6487 298.5616 -5.6539 29.1743 761078.1404 -4.1652 -4.1463 PRESSURE: 1956000 54.4461 -20.1175 -5.58133 -20.1172 -33.0943 135.187 -5.58083 135.186 351.416 GPRESSURE: 1956000 131.764 -3.1256 -87.6988 -13.3431 9.7354 246.212 -12.2876 17.5745 322.896 PRESSAVG: 1956000 0.873072 -46.6972 -32.8617 -46.6972 44.752 -22.1769 -32.8617 -22.1768 -10.4091 GPRESSAVG: 1956000 1.93058 -46.6717 -31.5455 -47.5371 44.1766 -20.7501 -32.6163 -20.0141 -11.263 TIMING: 1956000 CPU: 6257, 0.00314348/step Wall: 6257, 0.00314348/step, 2.65799 hours remaining, 232.406250 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: 1956000 3956.4201 20411.2574 14538.6471 256.3368 -203574.9200 2571.5968 0.0000 0.0000 52136.9353 -109703.7265 299.6317 -161840.6618 -109347.5711 298.7703 124.2560 154.7983 759797.7342 11.7387 11.6147 PRESSURE: 1956200 -188.17 -250.234 4.16348 -250.233 -113.823 -82.8521 4.16458 -82.8531 -123.761 GPRESSURE: 1956200 -227.013 -148.496 64.3175 -308.979 -59.4434 -68.4082 53.3206 -130.069 -55.8082 PRESSAVG: 1956200 -9.32741 -41.311 -91.9515 -41.311 -55.7721 23.9199 -91.9514 23.92 -24.4237 GPRESSAVG: 1956200 -9.84343 -41.9345 -92.2849 -40.3326 -55.8504 22.8942 -91.9803 21.3319 -23.5311 TIMING: 1956200 CPU: 6257.63, 0.00315115/step Wall: 6257.63, 0.00315115/step, 2.6643 hours remaining, 232.406250 MB of memory in use. ENERGY: 1956200 4106.9302 20429.9904 14453.6757 241.5219 -203509.4959 2642.7686 0.0000 0.0000 52159.5191 -109475.0899 299.7615 -161634.6090 -109121.4360 299.8372 -141.9179 -114.0882 760586.6918 -29.8411 -29.7416 LDB: ============= START OF LOAD BALANCING ============== 6270.05 LDB: ============== END OF LOAD BALANCING =============== 6270.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6270.06 LDB: ============= START OF LOAD BALANCING ============== 6270.37 LDB: Largest compute 7033 load 0.034793 is 17.8% of average load 0.195465 LDB: Average compute 0.004383 is 2.2% of average load 0.195465 LDB: TIME 6270.37 LOAD: AVG 0.195465 MAX 0.214307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 6270.37 LOAD: AVG 0.195465 MAX 0.214307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: TIME 6270.37 LOAD: AVG 0.195465 MAX 0.214307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: ============== END OF LOAD BALANCING =============== 6270.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6270.38 PRESSURE: 1956400 273.128 -123.035 171.054 -123.035 103.447 -123.924 171.054 -123.923 17.3408 GPRESSURE: 1956400 234.281 -142.88 243.852 -61.4132 197.518 -135.077 146.954 -77.174 40.6314 PRESSAVG: 1956400 63.5608 -66.6584 16.8219 -66.6583 -77.5905 0.83119 16.8218 0.831173 -2.37436 GPRESSAVG: 1956400 62.201 -65.1475 16.4962 -66.4641 -77.0881 -0.0471265 15.4563 2.39305 -1.8041 TIMING: 1956400 CPU: 6258.28, 0.00321336/step Wall: 6258.28, 0.00321336/step, 2.71672 hours remaining, 233.617188 MB of memory in use. ENERGY: 1956400 4071.5735 20553.0040 14426.9776 248.3226 -203173.5715 2406.5718 0.0000 0.0000 52140.8463 -109326.2757 299.6542 -161467.1220 -108956.5795 299.8726 131.3055 157.4769 760051.2258 -5.4680 -5.5637 PRESSURE: 1956600 -182.983 96.9635 138.895 96.9636 -90.6431 -56.5011 138.895 -56.5013 364.167 GPRESSURE: 1956600 -43.0085 19.4138 67.8592 88.8705 -13.8857 -38.1326 -24.2559 -190.995 240.327 PRESSAVG: 1956600 66.2931 -8.07748 15.2361 -8.07748 -51.7738 27.5972 15.2361 27.5972 9.77635 GPRESSAVG: 1956600 67.2842 -10.0562 15.8509 -8.26926 -52.0068 28.9759 14.467 28.8575 9.36792 TIMING: 1956600 CPU: 6258.91, 0.00314839/step Wall: 6258.91, 0.00314839/step, 2.66162 hours remaining, 233.617188 MB of memory in use. ENERGY: 1956600 4038.2960 20465.1154 14433.5492 256.1584 -203460.2069 2777.8850 0.0000 0.0000 52058.5690 -109430.6339 299.1813 -161489.2029 -109074.5422 300.0912 30.1802 61.1441 760215.3967 8.0986 8.2151 PRESSURE: 1956800 -387.787 -216.758 32.7498 -216.757 -210.858 428.583 32.7507 428.585 -173.669 GPRESSURE: 1956800 -301.063 -136.972 19.7591 -237.223 -113.142 440.71 67.2597 388.911 -268.368 PRESSAVG: 1956800 18.8904 -68.1604 67.0789 -68.1604 -8.98276 51.2294 67.079 51.2295 -16.4398 GPRESSAVG: 1956800 18.8247 -68.3577 66.8114 -67.9649 -9.40944 51.6893 68.8779 50.1512 -15.6513 TIMING: 1956800 CPU: 6259.53, 0.00314657/step Wall: 6259.53, 0.00314657/step, 2.6599 hours remaining, 233.875000 MB of memory in use. ENERGY: 1956800 3988.4953 20502.2676 14512.5774 263.9567 -203254.3944 2415.3135 0.0000 0.0000 52072.0686 -109499.7152 299.2589 -161571.7838 -109146.9248 300.0128 -257.4378 -227.5240 760652.5484 -2.1774 -2.0787 PRESSURE: 1957000 82.0272 -143.176 -56.1632 -143.176 -229.973 -209.61 -56.1631 -209.611 231.103 GPRESSURE: 1957000 137.612 -128.534 14.2955 -101.254 -174.587 -151.312 -0.155857 -150.837 196.306 PRESSAVG: 1957000 0.475979 -15.7931 49.8187 -15.7931 26.6482 96.2514 49.8188 96.2514 10.9468 GPRESSAVG: 1957000 -0.384043 -15.4081 48.6443 -16.6373 27.9146 95.0676 50.0977 96.2798 10.6286 TIMING: 1957000 CPU: 6260.16, 0.00314335/step Wall: 6260.16, 0.00314335/step, 2.657 hours remaining, 233.875000 MB of memory in use. ENERGY: 1957000 4006.9111 20328.1269 14451.4819 256.3025 -203358.8465 2565.9559 0.0000 0.0000 52133.7794 -109616.2888 299.6135 -161750.0682 -109253.6076 299.5594 27.7191 53.1104 761149.5794 12.6903 12.7197 PRESSURE: 1957200 -135.116 -68.2268 47.4872 -68.2259 -525.697 173.851 47.4871 173.85 -381.865 GPRESSURE: 1957200 -122.485 -30.4616 28.5583 -40.4944 -527.346 157.208 58.0699 206.929 -294.831 PRESSAVG: 1957200 -25.629 -3.07239 -45.7376 -3.07241 41.2755 38.9926 -45.7375 38.9924 -7.42764 GPRESSAVG: 1957200 -24.3125 -4.44497 -44.6102 -1.46586 39.6651 38.2802 -45.84 39.8078 -7.69409 TIMING: 1957200 CPU: 6260.79, 0.00314968/step Wall: 6260.79, 0.00314968/step, 2.66218 hours remaining, 233.875000 MB of memory in use. ENERGY: 1957200 3990.9837 20359.2613 14496.6643 235.3257 -203335.8103 2442.6756 0.0000 0.0000 52104.8946 -109706.0050 299.4475 -161810.8996 -109339.5982 299.1944 -347.5594 -314.8875 761368.4255 2.7396 2.5528 PRESSURE: 1957400 101.054 -272.757 -43.0544 -272.758 197.955 186.124 -43.0539 186.125 225.601 GPRESSURE: 1957400 91.6316 -210.533 -105.801 -235.715 298.312 103.504 -101.372 191.507 221.076 PRESSAVG: 1957400 -12.659 -11.2474 -41.7837 -11.2475 14.0367 50.3582 -41.7837 50.3581 -7.04604 GPRESSAVG: 1957400 -12.7397 -11.3955 -42.338 -11.2213 13.0026 49.7835 -42.5058 50.5827 -6.50338 TIMING: 1957400 CPU: 6261.42, 0.00314331/step Wall: 6261.42, 0.00314331/step, 2.65662 hours remaining, 233.875000 MB of memory in use. ENERGY: 1957400 3997.6450 20402.8439 14519.3540 245.2333 -203425.3885 2474.5108 0.0000 0.0000 51955.7553 -109830.0461 298.5904 -161785.8014 -109469.2971 298.4942 174.8702 203.6731 759676.5474 -1.8894 -2.0801 PRESSURE: 1957600 -216.236 -293.36 76.0765 -293.36 -192.552 7.98114 76.0761 7.98247 -248.732 GPRESSURE: 1957600 -175.475 -211.433 112.948 -246.075 -224.661 52.7437 116.528 50.8117 -175.381 PRESSAVG: 1957600 81.4493 12.3928 0.145788 12.3928 -54.5349 34.9143 0.145862 34.9142 29.5161 GPRESSAVG: 1957600 81.0583 13.6185 2.258 10.8944 -53.8431 35.1054 1.35993 34.1992 28.929 TIMING: 1957600 CPU: 6262.05, 0.00312518/step Wall: 6262.05, 0.00312518/step, 2.64112 hours remaining, 233.875000 MB of memory in use. ENERGY: 1957600 3907.7728 20578.2577 14415.5372 244.4781 -203147.8764 2107.4294 0.0000 0.0000 52071.5202 -109822.8809 299.2557 -161894.4011 -109455.4040 298.5998 -219.1731 -191.8390 759765.6763 18.8102 18.7148 PRESSURE: 1957800 -98.5975 -57.1597 -22.7201 -57.1603 297.774 -281.067 -22.7196 -281.066 253.347 GPRESSURE: 1957800 -4.13098 -13.2816 -38.8174 59.5654 258.367 -257.896 69.9917 -123.918 294.737 PRESSAVG: 1957800 60.6848 19.4873 27.497 19.4873 -5.11378 -45.4221 27.497 -45.4221 -20.8742 GPRESSAVG: 1957800 59.6487 18.6938 25.9138 20.3998 -4.38756 -44.8884 28.8788 -43.684 -20.74 TIMING: 1957800 CPU: 6262.68, 0.00314264/step Wall: 6262.68, 0.00314264/step, 2.65571 hours remaining, 233.875000 MB of memory in use. ENERGY: 1957800 3954.0886 20461.1039 14525.8995 254.1009 -203951.9079 2677.5042 0.0000 0.0000 52372.1798 -109707.0309 300.9836 -162079.2107 -109342.9839 299.1245 150.8412 182.9910 759030.7852 11.5656 11.5071 PRESSURE: 1958000 -303.082 -109.417 -151.157 -109.417 -262.138 143.934 -151.157 143.934 -439.177 GPRESSURE: 1958000 -190.037 -132.904 -206.143 12.5056 -283.063 139.779 -98.6126 66.6505 -443.846 PRESSAVG: 1958000 42.153 -31.7301 -6.04346 -31.7301 -33.1094 20.4866 -6.04343 20.4865 12.9213 GPRESSAVG: 1958000 43.3518 -31.517 -5.0913 -31.7336 -33.7725 21.741 -7.77241 18.1262 12.3344 TIMING: 1958000 CPU: 6263.3, 0.00314614/step Wall: 6263.3, 0.00314614/step, 2.65849 hours remaining, 233.875000 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: 1958000 3993.0127 20560.0572 14554.6495 262.1076 -203169.9901 2121.3000 0.0000 0.0000 51992.2351 -109686.6280 298.8001 -161678.8631 -109317.5115 299.6785 -334.7986 -305.6486 759848.5621 7.3216 7.3046 PRESSURE: 1958200 -190.883 141.183 -104.403 141.183 -264.263 -64.4723 -104.404 -64.4711 -405.052 GPRESSURE: 1958200 -205.958 36.8609 -154.595 174.227 -146.054 -22.5655 -165.439 -40.9334 -423.814 PRESSAVG: 1958200 31.9199 -41.0488 -1.47175 -41.0487 -40.1157 21.6147 -1.47173 21.6148 2.74701 GPRESSAVG: 1958200 32.1456 -39.1894 -1.20739 -43.6256 -40.9528 19.6109 -2.73998 21.8076 3.57308 TIMING: 1958200 CPU: 6263.94, 0.00316069/step Wall: 6263.94, 0.00316069/step, 2.67061 hours remaining, 233.945312 MB of memory in use. ENERGY: 1958200 4026.0493 20487.7553 14450.1589 237.5084 -202873.8001 2124.0606 0.0000 0.0000 51898.4337 -109649.8338 298.2610 -161548.2675 -109282.0431 299.5125 -286.7326 -258.6084 760334.0306 -1.8163 -1.7447 PRESSURE: 1958400 -279.554 -148.207 -66.1814 -148.207 -405.025 114.327 -66.1817 114.327 241.861 GPRESSURE: 1958400 -254.579 -143.608 -30.8169 -129.822 -288.318 112.029 -22.0801 65.1126 159.226 PRESSAVG: 1958400 -32.891 -5.61003 -38.5661 -5.61 1.84367 1.75595 -38.5661 1.7559 -13.5457 GPRESSAVG: 1958400 -33.5725 -5.57751 -40.1019 -5.85574 2.71234 2.93943 -37.179 0.317225 -13.7747 TIMING: 1958400 CPU: 6264.57, 0.00316237/step Wall: 6264.57, 0.00316237/step, 2.67185 hours remaining, 233.945312 MB of memory in use. ENERGY: 1958400 3964.3024 20556.4750 14506.3995 238.7904 -203093.5538 2188.7894 0.0000 0.0000 51951.6252 -109687.1718 298.5667 -161638.7970 -109330.3905 299.0689 -147.5726 -127.8906 760296.5227 -14.8644 -14.8783 PRESSURE: 1958600 -185.8 120.558 213.826 120.556 -110.212 252.822 213.827 252.823 -67.0842 GPRESSURE: 1958600 -220.701 6.01979 265.48 155.172 -101.345 188.665 132.562 247.589 42.5598 PRESSAVG: 1958600 52.0154 -49.6125 -57.9886 -49.6125 -33.6418 23.2571 -57.9886 23.2572 -20.3512 GPRESSAVG: 1958600 51.4013 -52.0064 -57.8878 -48.8955 -33.8518 23.6227 -57.6186 23.7879 -19.162 TIMING: 1958600 CPU: 6265.2, 0.00315599/step Wall: 6265.2, 0.00315599/step, 2.66628 hours remaining, 233.945312 MB of memory in use. ENERGY: 1958600 3933.9678 20539.7914 14465.1108 252.3452 -203644.8226 2621.1663 0.0000 0.0000 52048.4739 -109783.9672 299.1233 -161832.4411 -109427.3678 299.6102 -121.0320 -93.1621 759604.0241 -0.6592 -0.5375 PRESSURE: 1958800 43.6374 -157.876 110.678 -157.876 -42.38 86.812 110.678 86.8117 -59.2016 GPRESSURE: 1958800 103.513 -126.283 35.4505 -202.837 5.56233 88.4897 -14.7889 117.767 -59.8234 PRESSAVG: 1958800 47.4377 -23.423 17.4476 -23.423 -14.1267 47.2808 17.4476 47.2807 20.6318 GPRESSAVG: 1958800 48.0328 -23.4232 17.0782 -22.8928 -13.9277 46.5499 16.902 49.0461 19.796 TIMING: 1958800 CPU: 6265.83, 0.00314181/step Wall: 6265.83, 0.00314181/step, 2.65413 hours remaining, 233.945312 MB of memory in use. ENERGY: 1958800 3999.5632 20628.3500 14484.3329 231.6163 -203596.2425 2413.7012 0.0000 0.0000 51964.1608 -109874.5181 298.6387 -161838.6789 -109522.2552 299.5096 -19.3147 16.4175 759506.9625 17.9809 17.9670 PRESSURE: 1959000 -47.6067 -87.7081 151.38 -87.7079 -164.322 86.9522 151.38 86.952 226.656 GPRESSURE: 1959000 -24.6436 -65.9334 119.259 -124.767 -52.8298 52.1083 146.355 211.746 189.89 PRESSAVG: 1959000 65.4492 -20.1228 -19.2532 -20.1228 -87.9872 -4.08323 -19.2532 -4.08323 -1.18474 GPRESSAVG: 1959000 66.0414 -17.2883 -17.8462 -20.265 -88.3218 -3.69147 -20.2182 -4.91838 -1.45133 TIMING: 1959000 CPU: 6266.46, 0.00314107/step Wall: 6266.46, 0.00314107/step, 2.65333 hours remaining, 233.945312 MB of memory in use. ENERGY: 1959000 4028.6389 20559.4238 14438.9367 223.9806 -203640.6219 2316.9668 0.0000 0.0000 52153.2897 -109919.3854 299.7257 -162072.6751 -109568.5432 299.6042 4.9091 37.4723 759371.3504 -7.9076 -7.9106 PRESSURE: 1959200 17.6335 87.9858 32.6865 87.9853 -13.9486 -113.4 32.6869 -113.399 120.223 GPRESSURE: 1959200 129.033 103.906 -16.0207 22.0118 -87.941 -135.941 28.5311 -143.578 160.623 PRESSAVG: 1959200 52.7719 26.7642 -8.82932 26.7642 -55.3891 25.5379 -8.82937 25.5379 25.8883 GPRESSAVG: 1959200 52.6774 24.1758 -8.51567 27.0326 -55.6053 24.0347 -8.18001 27.0827 26.0652 TIMING: 1959200 CPU: 6267.09, 0.00314593/step Wall: 6267.09, 0.00314593/step, 2.65726 hours remaining, 233.945312 MB of memory in use. ENERGY: 1959200 3961.6772 20602.2625 14432.9964 246.1012 -203778.7349 2600.9130 0.0000 0.0000 51967.3908 -109967.3937 298.6573 -161934.7845 -109602.7449 299.4069 41.3026 67.2382 759059.8467 7.7571 7.7124 PRESSURE: 1959400 -117.941 -93.6064 -5.15916 -93.6052 -257.856 14.3709 -5.1595 14.3701 -409.011 GPRESSURE: 1959400 -159.726 -75.0431 68.3571 -54.1618 -161.543 -52.816 51.216 72.1822 -370.493 PRESSAVG: 1959400 -2.10443 36.3663 -51.2709 36.3663 -15.8983 -9.07885 -51.271 -9.07895 -22.8005 GPRESSAVG: 1959400 -2.34062 36.8599 -50.3152 36.8927 -15.2292 -7.80052 -50.299 -10.5292 -22.7855 TIMING: 1959400 CPU: 6267.71, 0.00313644/step Wall: 6267.71, 0.00313643/step, 2.64907 hours remaining, 234.085938 MB of memory in use. ENERGY: 1959400 4021.7925 20484.3295 14426.6501 232.2613 -203733.2584 2668.6729 0.0000 0.0000 51976.5334 -109923.0187 298.7099 -161899.5520 -109566.3575 298.9636 -261.6024 -230.5873 759313.3984 -13.6011 -13.4518 PRESSURE: 1959600 -25.3905 -27.8559 144.221 -27.8567 -60.2936 -38.956 144.222 -38.9557 -212.93 GPRESSURE: 1959600 20.8586 -102.466 39.0026 -89.2785 -23.1646 -11.8284 85.7411 -8.03497 -225.906 PRESSAVG: 1959600 3.43571 16.4904 31.5599 16.4904 45.9409 -17.5159 31.5599 -17.5159 17.6875 GPRESSAVG: 1959600 2.95312 14.8626 30.5673 15.9877 46.1081 -18.067 31.5051 -15.2126 18.0684 TIMING: 1959600 CPU: 6268.34, 0.00314515/step Wall: 6268.34, 0.00314515/step, 2.65625 hours remaining, 234.085938 MB of memory in use. ENERGY: 1959600 3988.1285 20467.9580 14413.0586 231.3980 -203411.0043 2522.2052 0.0000 0.0000 52013.2141 -109775.0419 298.9207 -161788.2561 -109413.8902 299.4842 -99.5380 -76.0707 760432.9081 22.3547 22.3765 PRESSURE: 1959800 -53.9914 -310.146 -73.9373 -310.147 65.5032 -135.172 -73.9364 -135.172 -618.488 GPRESSURE: 1959800 52.0558 -220.778 -148.38 -302.603 31.5417 -119.007 -156.714 -111.84 -600.955 PRESSAVG: 1959800 2.05001 -21.9577 -10.0732 -21.9577 -24.9039 6.14046 -10.0733 6.14047 14.7853 GPRESSAVG: 1959800 2.774 -20.0288 -10.3563 -22.2142 -25.3149 5.64674 -11.2964 5.5246 14.5121 TIMING: 1959800 CPU: 6268.97, 0.00312139/step Wall: 6268.97, 0.00312139/step, 2.63601 hours remaining, 234.085938 MB of memory in use. ENERGY: 1959800 3939.1933 20575.7550 14485.5597 242.7181 -203367.3383 2493.4339 0.0000 0.0000 52035.6459 -109595.0324 299.0496 -161630.6783 -109228.4044 299.3929 -202.3255 -172.4526 761027.2186 -2.6895 -2.6762 PRESSURE: 1960000 75.5352 43.7955 -87.2204 43.7954 -98.8554 101.19 -87.2197 101.191 488.004 GPRESSURE: 1960000 108.891 -46.2874 -40.5357 79.2334 -34.8177 5.57706 -49.9148 121.752 466.934 PRESSAVG: 1960000 44.4069 0.655416 25.736 0.655368 -48.6144 16.7979 25.7359 16.7979 -4.52219 GPRESSAVG: 1960000 44.1959 -0.283106 26.6353 0.38706 -48.7403 16.4197 24.1918 16.2978 -3.9865 TIMING: 1960000 CPU: 6269.6, 0.00314513/step Wall: 6269.6, 0.00314513/step, 2.65589 hours remaining, 234.085938 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: 1960000 3938.9735 20595.2782 14461.2013 251.0871 -203397.5443 2515.0729 0.0000 0.0000 52126.4334 -109509.4978 299.5713 -161635.9312 -109137.4577 299.3499 154.8946 180.3356 760221.4771 -2.9099 -2.8436 PRESSURE: 1960200 -52.9554 -95.1948 -52.5724 -95.195 -124.042 -44.003 -52.5723 -44.0027 142.324 GPRESSURE: 1960200 40.4981 -52.08 -44.3407 -83.0478 -99.413 -62.8653 -218.378 35.9065 111.692 PRESSAVG: 1960200 39.7119 -59.8466 43.141 -59.8466 -1.31474 -27.4651 43.1409 -27.465 16.3097 GPRESSAVG: 1960200 40.9937 -57.7974 42.011 -58.8631 -1.02486 -25.7148 45.658 -27.8317 15.1652 TIMING: 1960200 CPU: 6270.22, 0.00313924/step Wall: 6270.22, 0.00313924/step, 2.65074 hours remaining, 234.085938 MB of memory in use. ENERGY: 1960200 3963.3420 20606.2391 14487.5671 263.5625 -203661.4581 2633.8093 0.0000 0.0000 52129.8847 -109577.0534 299.5912 -161706.9381 -109220.4318 299.6678 -11.5579 17.5923 759331.8280 18.2356 18.3780 LDB: ============= START OF LOAD BALANCING ============== 6282.64 LDB: ============== END OF LOAD BALANCING =============== 6282.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6282.65 LDB: ============= START OF LOAD BALANCING ============== 6282.96 LDB: Largest compute 7069 load 0.032478 is 16.6% of average load 0.195469 LDB: Average compute 0.004388 is 2.2% of average load 0.195469 LDB: TIME 6282.96 LOAD: AVG 0.195469 MAX 0.213991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.691 MB LDB: TIME 6282.96 LOAD: AVG 0.195469 MAX 0.213991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.695 MB LDB: TIME 6282.96 LOAD: AVG 0.195469 MAX 0.213991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.695 MB LDB: ============== END OF LOAD BALANCING =============== 6282.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6282.97 PRESSURE: 1960400 -382.623 233.389 -34.1613 233.39 -530.256 -38.5729 -34.1611 -38.5714 -313.691 GPRESSURE: 1960400 -436.312 151.325 -81.0116 199.263 -369.846 -64.5882 -59.5912 -65.4193 -327.353 PRESSAVG: 1960400 44.4762 -76.5738 1.85841 -76.5738 -70.8585 -14.9043 1.8584 -14.9042 -3.5288 GPRESSAVG: 1960400 43.1976 -78.8365 1.59941 -78.8593 -71.2599 -17.8518 -0.0432328 -12.7321 -2.20381 TIMING: 1960400 CPU: 6270.86, 0.00320117/step Wall: 6270.86, 0.00320117/step, 2.70285 hours remaining, 232.003906 MB of memory in use. ENERGY: 1960400 4062.6305 20542.4661 14458.3200 255.3556 -202950.3887 2080.5314 0.0000 0.0000 51862.4289 -109688.6562 298.0541 -161551.0851 -109327.2769 299.2333 -408.8566 -377.8373 760902.9216 -9.9704 -10.0887 PRESSURE: 1960600 57.6761 16.8596 172.052 16.8595 -68.6103 31.4725 172.052 31.4738 -593.336 GPRESSURE: 1960600 67.5999 11.1158 183.116 87.3375 -59.4333 74.8921 251.508 -69.4116 -542.65 PRESSAVG: 1960600 -26.4104 -46.6773 31.796 -46.6774 -8.7592 4.46839 31.796 4.4684 10.0625 GPRESSAVG: 1960600 -25.9913 -46.507 32.6996 -44.8173 -9.14608 6.01505 31.6492 1.37686 9.89178 TIMING: 1960600 CPU: 6271.49, 0.00313157/step Wall: 6271.49, 0.00313157/step, 2.64392 hours remaining, 232.074219 MB of memory in use. ENERGY: 1960600 3999.3874 20394.8476 14444.1425 254.8950 -202839.0640 1942.3965 0.0000 0.0000 52098.5400 -109704.8549 299.4110 -161803.3949 -109346.6494 299.3586 -201.4233 -178.1612 759951.1696 -8.3691 -8.4152 PRESSURE: 1960800 118.86 64.8816 58.088 64.8817 -284.247 -20.9754 58.087 -20.9761 97.1577 GPRESSURE: 1960800 159.61 -6.42452 50.9443 215.964 -223.407 -56.0433 -98.8471 -24.3675 74.6374 PRESSAVG: 1960800 62.1414 12.6594 16.1349 12.6594 -42.0341 10.494 16.1349 10.494 14.4454 GPRESSAVG: 1960800 61.6233 10.4475 15.8023 12.6746 -41.0584 11.3999 15.1233 11.6254 13.5107 TIMING: 1960800 CPU: 6272.12, 0.0031294/step Wall: 6272.12, 0.0031294/step, 2.64191 hours remaining, 232.074219 MB of memory in use. ENERGY: 1960800 4029.2508 20465.1098 14518.7241 244.3952 -203793.1806 2761.7635 0.0000 0.0000 52165.4468 -109608.4904 299.7955 -161773.9371 -109245.3966 299.4198 -22.7431 3.6132 760076.7822 11.5176 11.3586 PRESSURE: 1961000 11.7421 229.631 90.5384 229.632 -138.363 93.6443 90.5379 93.6442 22.3394 GPRESSURE: 1961000 -36.3717 193.014 41.8455 105.153 -71.2177 99.9307 134.814 -12.909 82.2619 PRESSAVG: 1961000 58.2447 -25.5675 81.9078 -25.5675 -52.7499 -10.5208 81.9078 -10.5208 -1.45392 GPRESSAVG: 1961000 58.1948 -23.6675 80.6612 -24.19 -53.6872 -10.4416 82.3201 -12.3835 -0.0890991 TIMING: 1961000 CPU: 6272.74, 0.00313126/step Wall: 6272.74, 0.00313126/step, 2.6433 hours remaining, 232.074219 MB of memory in use. ENERGY: 1961000 3968.3417 20642.6338 14520.2807 256.8158 -203480.6967 2515.4903 0.0000 0.0000 52160.8714 -109416.2629 299.7692 -161577.1344 -109058.3469 299.8365 -34.7604 -8.4425 762284.9550 1.3470 1.4728 PRESSURE: 1961200 -42.6739 -99.0956 308.94 -99.0972 -133.218 -233.646 308.939 -233.645 -182.864 GPRESSURE: 1961200 -50.5197 -174.017 237.617 -63.0269 -32.3709 -214.498 298.868 -171.462 -195.663 PRESSAVG: 1961200 60.6844 -1.83879 50.311 -1.83883 -23.6591 26.2071 50.311 26.2072 -15.4156 GPRESSAVG: 1961200 62.0588 -1.93213 50.3645 -5.31258 -24.2763 22.8569 52.6763 28.7914 -16.2648 TIMING: 1961200 CPU: 6273.37, 0.00312682/step Wall: 6273.37, 0.00312682/step, 2.63939 hours remaining, 232.074219 MB of memory in use. ENERGY: 1961200 4026.0804 20510.6141 14496.1189 251.2955 -202898.5565 2409.3715 0.0000 0.0000 51879.8782 -109325.1978 298.1544 -161205.0760 -108971.2304 299.7829 -119.5853 -92.8512 761528.6246 7.2032 7.1726 PRESSURE: 1961400 -131.477 -18.2922 -125.846 -18.293 21.0215 -170.8 -125.848 -170.799 165.914 GPRESSURE: 1961400 -122.015 -44.0675 -141.778 34.0267 78.2246 -137.205 -131.288 -259.723 188.791 PRESSAVG: 1961400 25.245 -64.5807 -36.0887 -64.5807 -28.2736 33.2567 -36.0887 33.2567 21.8354 GPRESSAVG: 1961400 24.7041 -64.1675 -35.7905 -61.2745 -26.5085 36.2575 -40.2415 31.3506 21.1344 TIMING: 1961400 CPU: 6273.99, 0.00312601/step Wall: 6273.99, 0.00312602/step, 2.63853 hours remaining, 232.074219 MB of memory in use. ENERGY: 1961400 3917.3596 20536.8401 14454.9009 230.3551 -203207.3140 2606.2829 0.0000 0.0000 52416.5397 -109045.0357 301.2386 -161461.5754 -108685.5148 299.9322 18.4863 48.3336 762219.8675 6.2689 6.4433 PRESSURE: 1961600 -386.814 -114.389 19.9033 -114.389 -90.6227 -42.6295 19.9039 -42.6292 99.6528 GPRESSURE: 1961600 -335.117 -145.349 34.471 -38.2355 -93.9158 -60.4936 -30.5702 -28.1918 159.165 PRESSAVG: 1961600 -50.34 -24.6487 -4.23809 -24.6487 11.262 -45.1351 -4.238 -45.1352 5.98485 GPRESSAVG: 1961600 -50.0805 -25.5776 -4.49986 -25.1959 8.93799 -44.3403 -2.53598 -44.6549 7.30161 TIMING: 1961600 CPU: 6274.62, 0.00312899/step Wall: 6274.62, 0.00312899/step, 2.64087 hours remaining, 232.074219 MB of memory in use. ENERGY: 1961600 3904.6838 20426.5985 14499.9536 242.8797 -202831.6682 2424.2386 0.0000 0.0000 52206.5222 -109126.7917 300.0316 -161333.3139 -108768.6880 300.1439 -125.9278 -89.9557 761101.5086 -11.0310 -11.2803 PRESSURE: 1961800 43.6572 -117.378 -0.0464445 -117.379 30.9089 47.245 -0.0464839 47.2448 251.666 GPRESSURE: 1961800 119.21 -213.769 69.3889 -56.5387 107.824 75.9578 65.5248 80.4599 219.367 PRESSAVG: 1961800 -2.7732 -11.75 -4.85663 -11.7501 -13.9059 -32.5988 -4.85659 -32.5988 30.4967 GPRESSAVG: 1961800 -3.48187 -11.4017 -6.03936 -11.0432 -12.8646 -33.0516 -1.67239 -32.848 30.3787 TIMING: 1961800 CPU: 6275.25, 0.00313748/step Wall: 6275.25, 0.00313748/step, 2.64786 hours remaining, 232.074219 MB of memory in use. ENERGY: 1961800 3996.1859 20464.2775 14484.4266 246.0795 -203140.0257 2594.7442 0.0000 0.0000 52330.2514 -109024.0606 300.7427 -161354.3120 -108673.2760 300.7617 108.7440 148.8005 760791.4150 4.6059 4.6774 PRESSURE: 1962000 -401.063 -13.9002 28.8684 -13.9001 -225.963 -30.7411 28.8684 -30.7426 -239.276 GPRESSURE: 1962000 -318.876 79.7321 83.3888 -25.0811 -239.219 -91.2082 -15.0672 -129.285 -246.364 PRESSAVG: 1962000 -63.5889 6.62072 1.54915 6.62075 1.16273 8.72285 1.54902 8.72287 -9.96734 GPRESSAVG: 1962000 -62.2015 8.08281 2.34393 5.59303 0.403333 6.88045 -0.0598774 9.51598 -10.7857 TIMING: 1962000 CPU: 6275.88, 0.00314556/step Wall: 6275.88, 0.00314556/step, 2.65451 hours remaining, 232.074219 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: 1962000 3901.4354 20385.8994 14468.6099 252.5284 -202866.1014 2235.8905 0.0000 0.0000 52295.4817 -109326.2559 300.5429 -161621.7377 -108964.8258 300.3183 -288.7672 -268.1529 764304.2607 -24.1312 -24.1946 PRESSURE: 1962200 -203.882 -217.313 -119.638 -217.314 -36.1732 92.1086 -119.637 92.1092 66.0515 GPRESSURE: 1962200 -153.262 -209.969 -95.465 -180.277 38.7375 63.8232 -222.439 100.341 30.6851 PRESSAVG: 1962200 -3.47356 -10.2093 5.50464 -10.2094 -42.0618 -19.7429 5.50462 -19.7429 2.42518 GPRESSAVG: 1962200 -4.71827 -12.9339 5.23077 -9.61433 -41.0213 -19.6755 5.17225 -20.5993 3.0429 TIMING: 1962200 CPU: 6276.5, 0.00312646/step Wall: 6276.5, 0.00312646/step, 2.63821 hours remaining, 232.074219 MB of memory in use. ENERGY: 1962200 3992.4869 20340.3053 14454.2132 257.7295 -202888.4125 2325.5168 0.0000 0.0000 52150.9299 -109367.2309 299.7121 -161518.1608 -109013.6477 299.8949 -58.0012 -27.9464 760114.0270 -14.3701 -14.2322 PRESSURE: 1962400 -91.0754 78.5997 -192.084 78.6002 55.7262 71.8719 -192.084 71.8714 -520.622 GPRESSURE: 1962400 -139.109 113.481 -47.9474 26.789 163.96 106.208 -216.23 -109.586 -491.024 PRESSAVG: 1962400 32.4974 -32.1702 45.5756 -32.1702 -2.28883 18.984 45.5757 18.9839 -19.9049 GPRESSAVG: 1962400 33.1424 -30.7176 46.5835 -32.5178 -1.6357 18.7564 43.5986 18.8181 -21.2533 TIMING: 1962400 CPU: 6277.13, 0.00313668/step Wall: 6277.13, 0.00313668/step, 2.64666 hours remaining, 232.074219 MB of memory in use. ENERGY: 1962400 3974.6899 20460.5247 14377.0039 246.3849 -202718.9069 2067.0556 0.0000 0.0000 52046.5196 -109546.7283 299.1121 -161593.2479 -109181.1872 299.7523 -185.3236 -155.3913 760759.5817 3.4345 3.4178 PRESSURE: 1962600 52.1526 116.976 -59.5579 116.975 32.422 -142.728 -59.5572 -142.728 -344.474 GPRESSURE: 1962600 112.927 74.0696 -40.9325 5.21322 -13.512 -122.973 -35.6229 -156.041 -281.165 PRESSAVG: 1962600 50.5066 -37.2756 30.502 -37.2756 -69.7794 32.8308 30.5019 32.8307 -23.2252 GPRESSAVG: 1962600 51.4826 -35.8719 30.6262 -37.3678 -71.7581 34.742 30.9199 32.3003 -22.447 TIMING: 1962600 CPU: 6277.76, 0.0031389/step Wall: 6277.76, 0.0031389/step, 2.64836 hours remaining, 232.074219 MB of memory in use. ENERGY: 1962600 3995.8964 20376.8044 14449.8259 235.8357 -203047.5981 2497.6903 0.0000 0.0000 52052.4008 -109439.1446 299.1459 -161491.5454 -109079.0708 299.5575 -86.6330 -60.5836 761332.2682 -14.1660 -14.2408 PRESSURE: 1962800 128.668 -157.361 25.8845 -157.361 138.548 99.7666 25.8844 99.767 659.642 GPRESSURE: 1962800 239.765 -74.6871 -46.9033 -70.4401 165.378 69.9885 -44.2969 198.958 611.335 PRESSAVG: 1962800 4.32458 -23.2293 39.5664 -23.2293 -30.2781 29.9768 39.5664 29.9769 0.0348345 GPRESSAVG: 1962800 3.17674 -23.8414 39.9099 -21.3643 -28.5763 29.3369 39.601 29.5294 0.0291323 TIMING: 1962800 CPU: 6278.38, 0.00314005/step Wall: 6278.38, 0.00314005/step, 2.64916 hours remaining, 232.074219 MB of memory in use. ENERGY: 1962800 3969.6463 20325.9238 14413.1050 262.1459 -203720.1127 2705.0729 0.0000 0.0000 52394.5240 -109649.6946 301.1120 -162044.2186 -109279.8425 298.9818 308.9530 338.8259 759798.0751 -8.6396 -8.4568 PRESSURE: 1963000 400.284 -0.607281 284.629 -0.606831 75.5263 161.269 284.63 161.269 -26.7108 GPRESSURE: 1963000 380.804 38.559 122.083 79.0392 122.619 122.434 317.369 112.456 36.4904 PRESSAVG: 1963000 60.1818 -53.6898 25.5233 -53.6899 -33.2252 25.0982 25.5232 25.0982 -2.53508 GPRESSAVG: 1963000 59.598 -54.6779 24.5185 -52.631 -32.0051 23.8508 27.9198 25.1172 -3.16855 TIMING: 1963000 CPU: 6279.01, 0.00314869/step Wall: 6279.01, 0.00314869/step, 2.65627 hours remaining, 232.074219 MB of memory in use. ENERGY: 1963000 4039.3034 20205.7172 14384.2181 242.2378 -203792.9764 2781.7233 0.0000 0.0000 52292.1767 -109847.5998 300.5239 -162139.7765 -109472.0121 299.3413 149.6999 179.9711 759459.0331 8.1405 8.1414 PRESSURE: 1963200 332.337 -118.883 165.736 -118.884 417.586 -5.29829 165.736 -5.29854 -144.269 GPRESSURE: 1963200 401.889 -60.3331 135.752 -83.3291 421.237 -25.1096 148.467 4.45814 -120.601 PRESSAVG: 1963200 35.0241 10.491 40.6622 10.491 -42.6444 32.5263 40.6622 32.5263 -9.09088 GPRESSAVG: 1963200 36.8925 11.9843 40.6883 8.72452 -44.7162 34.4396 37.5449 31.152 -8.89409 TIMING: 1963200 CPU: 6279.64, 0.00313368/step Wall: 6279.64, 0.00313368/step, 2.64343 hours remaining, 232.074219 MB of memory in use. ENERGY: 1963200 4027.0557 20568.9417 14472.3605 244.2666 -204106.2514 2858.3432 0.0000 0.0000 52135.8762 -109799.4075 299.6256 -161935.2837 -109442.3803 298.9154 201.8847 234.1752 759417.1521 -5.5704 -5.5726 PRESSURE: 1963400 -1.80738 83.6621 239.023 83.6624 1.86206 -150.647 239.023 -150.647 5.73243 GPRESSURE: 1963400 -10.9246 87.1042 261.51 21.7642 9.88771 -60.4266 103.293 -213.326 90.4302 PRESSAVG: 1963400 -27.4143 -5.25702 68.5066 -5.25707 29.7456 12.8848 68.5066 12.8848 20.3834 GPRESSAVG: 1963400 -28.2605 -4.11238 68.6666 -6.32237 32.131 12.8769 69.5474 14.6018 18.6452 TIMING: 1963400 CPU: 6280.27, 0.00313956/step Wall: 6280.27, 0.00313956/step, 2.64822 hours remaining, 232.074219 MB of memory in use. ENERGY: 1963400 4016.0814 20501.1437 14411.3177 259.0817 -203299.6866 2220.0520 0.0000 0.0000 52215.9449 -109676.0653 300.0858 -161892.0102 -109312.6361 299.2714 1.9290 29.7978 759301.2118 7.5715 7.5052 PRESSURE: 1963600 -79.9483 -35.2052 -15.8987 -35.2051 -18.5298 -235.492 -15.8979 -235.492 -90.8929 GPRESSURE: 1963600 -61.5773 -179.606 -32.5357 21.0125 51.9006 -209.176 49.0146 -190.295 -96.1732 PRESSAVG: 1963600 -18.4658 3.94591 76.9906 3.94587 33.0299 -51.9845 76.9906 -51.9845 -16.9602 GPRESSAVG: 1963600 -19.6866 -0.0413824 75.6316 5.91844 31.6571 -53.4618 78.2029 -51.5222 -14.5252 TIMING: 1963600 CPU: 6280.9, 0.00314703/step Wall: 6280.9, 0.00314703/step, 2.65434 hours remaining, 232.074219 MB of memory in use. ENERGY: 1963600 4060.6264 20433.9326 14526.3231 246.0678 -203484.6016 2682.4187 0.0000 0.0000 51954.0341 -109581.1987 298.5805 -161535.2328 -109214.7060 300.0181 -63.1237 -35.2833 758999.8917 -0.7987 -0.8515 PRESSURE: 1963800 -320.037 46.0809 10.3042 46.0815 -154.708 -111.864 10.3048 -111.864 -493.126 GPRESSURE: 1963800 -235.51 68.8009 15.1293 101.937 -145.938 -88.1445 -18.3702 -27.2456 -503.765 PRESSAVG: 1963800 5.11157 -28.6777 14.1261 -28.6777 -6.72223 4.41063 14.1261 4.4107 -12.2912 GPRESSAVG: 1963800 6.26278 -27.0126 16.062 -27.8651 -6.35247 4.0767 13.9159 4.96042 -13.4536 TIMING: 1963800 CPU: 6281.53, 0.00315211/step Wall: 6281.53, 0.00315211/step, 2.65845 hours remaining, 232.074219 MB of memory in use. ENERGY: 1963800 4041.2190 20681.4081 14429.1983 249.0624 -203365.3936 2394.9524 0.0000 0.0000 52099.7431 -109469.8105 299.4179 -161569.5536 -109116.2130 299.5662 -322.6235 -295.0709 759579.9458 -4.6340 -4.5144 PRESSURE: 1964000 293.206 -59.8565 56.6992 -59.8567 36.7649 -37.6735 56.7001 -37.6738 267.346 GPRESSURE: 1964000 233.976 -32.4861 15.2948 -169.526 20.641 20.1184 132.773 -104.774 420.917 PRESSAVG: 1964000 14.8844 -29.7949 -5.71869 -29.795 -9.36292 -13.8563 -5.71877 -13.8564 18.9388 GPRESSAVG: 1964000 13.6967 -28.4295 -6.40574 -30.5608 -10.0888 -12.2085 -5.68484 -15.4024 20.2451 TIMING: 1964000 CPU: 6282.16, 0.0031416/step Wall: 6282.16, 0.0031416/step, 2.64942 hours remaining, 232.074219 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: 1964000 4010.6701 20491.1104 14476.4822 266.0532 -203279.8309 2365.3076 0.0000 0.0000 52126.3810 -109543.8265 299.5710 -161670.2075 -109179.8954 299.9687 199.1059 225.1780 759401.8918 8.1534 7.9510 PRESSURE: 1964200 -222.341 -17.0817 -188.454 -17.0813 12.2398 -206.124 -188.453 -206.124 113.823 GPRESSURE: 1964200 -106.729 10.5609 -216.105 -61.8104 -36.9445 -222.221 -161.406 -197.899 125.347 PRESSAVG: 1964200 115.68 -8.67396 -27.873 -8.67388 -112.932 -8.56834 -27.8729 -8.56837 -9.43375 GPRESSAVG: 1964200 115.841 -7.30889 -28.5286 -10.1467 -112.517 -9.34261 -25.4856 -7.94262 -9.99025 TIMING: 1964200 CPU: 6282.79, 0.00314542/step Wall: 6282.79, 0.00314542/step, 2.65246 hours remaining, 232.074219 MB of memory in use. ENERGY: 1964200 4035.7600 20687.4500 14541.1981 245.9898 -203413.0750 2421.7217 0.0000 0.0000 51879.2220 -109601.7334 298.1506 -161480.9554 -109252.1140 299.8787 -32.0927 -6.1089 758897.6070 -2.2285 -2.2221 LDB: ============= START OF LOAD BALANCING ============== 6295.21 LDB: ============== END OF LOAD BALANCING =============== 6295.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6295.21 LDB: ============= START OF LOAD BALANCING ============== 6295.52 LDB: Largest compute 7033 load 0.034181 is 17.5% of average load 0.195488 LDB: Average compute 0.004393 is 2.2% of average load 0.195488 LDB: TIME 6295.53 LOAD: AVG 0.195488 MAX 0.21668 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.234 MB LDB: TIME 6295.53 LOAD: AVG 0.195488 MAX 0.21668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: TIME 6295.53 LOAD: AVG 0.195488 MAX 0.21668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: ============== END OF LOAD BALANCING =============== 6295.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6295.53 PRESSURE: 1964400 31.8911 141.087 164.207 141.087 -203.513 -115.104 164.208 -115.103 10.2437 GPRESSURE: 1964400 21.9114 65.862 173.02 94.4644 -78.1285 -47.0719 114.869 -158.564 -33.8394 PRESSAVG: 1964400 11.2205 -22.1622 -32.765 -22.1622 7.56034 39.5673 -32.7649 39.5674 27.842 GPRESSAVG: 1964400 12.8974 -24.1699 -32.8108 -21.7845 6.99559 38.3115 -33.8735 39.7388 27.1466 TIMING: 1964400 CPU: 6283.43, 0.00321432/step Wall: 6283.43, 0.00321432/step, 2.71038 hours remaining, 231.570312 MB of memory in use. ENERGY: 1964400 4024.8233 20639.3696 14551.5657 237.7883 -203647.9261 2502.1170 0.0000 0.0000 52243.8665 -109448.3957 300.2462 -161692.2622 -109085.2179 300.1866 -53.7926 -30.0188 760777.2125 15.5409 15.6799 PRESSURE: 1964600 -181.259 -36.3122 198.247 -36.3117 169.552 182.217 198.246 182.218 224.903 GPRESSURE: 1964600 -110.072 -95.2308 155.244 -178.916 200.989 112.408 271.405 202.174 189.16 PRESSAVG: 1964600 32.8773 -50.4191 57.5698 -50.4191 19.7474 26.0125 57.5698 26.0126 -2.0316 GPRESSAVG: 1964600 32.8349 -50.5978 57.9919 -51.1979 19.3704 26.7058 57.6286 24.4673 -1.30597 TIMING: 1964600 CPU: 6284.06, 0.00314602/step Wall: 6284.06, 0.00314602/step, 2.65262 hours remaining, 231.570312 MB of memory in use. ENERGY: 1964600 3994.1269 20576.1813 14496.6828 255.8922 -203306.3339 2384.9157 0.0000 0.0000 52067.6875 -109530.8474 299.2337 -161598.5349 -109167.0216 299.8423 71.0653 93.3590 761531.3105 16.8644 16.9664 PRESSURE: 1964800 126.111 -66.8667 112.955 -66.8665 -50.9897 -179.491 112.955 -179.492 -47.8828 GPRESSURE: 1964800 210.98 -64.7774 193.188 63.9087 9.48267 -135.896 14.6013 -259.729 -86.37 PRESSAVG: 1964800 16.4557 -67.2948 30.8326 -67.2947 -31.8453 9.50997 30.8325 9.51005 -0.500607 GPRESSAVG: 1964800 15.4806 -67.521 30.9528 -67.5237 -30.4559 10.1084 31.5622 12.2884 -0.221471 TIMING: 1964800 CPU: 6284.68, 0.00313037/step Wall: 6284.68, 0.00313037/step, 2.63925 hours remaining, 231.570312 MB of memory in use. ENERGY: 1964800 3974.2755 20556.0971 14402.3987 241.0764 -203436.9632 2571.6994 0.0000 0.0000 52164.6707 -109526.7455 299.7911 -161691.4162 -109158.8646 299.3926 9.0796 44.6975 761448.2295 -5.2967 -5.0656 PRESSURE: 1965000 -182.14 -81.7699 41.3925 -81.769 -149.908 296.79 41.3931 296.789 341.221 GPRESSURE: 1965000 -113.235 6.60224 137.264 -138.608 -152.062 263.558 -80.396 137.819 357.661 PRESSAVG: 1965000 19.0241 -9.89516 -1.50603 -9.89511 7.48199 35.122 -1.50601 35.122 -15.944 GPRESSAVG: 1965000 19.3567 -10.0575 -1.80991 -9.17201 6.91888 34.2652 -4.21137 31.9082 -14.9659 TIMING: 1965000 CPU: 6285.31, 0.0031308/step Wall: 6285.31, 0.0031308/step, 2.63944 hours remaining, 231.570312 MB of memory in use. ENERGY: 1965000 4016.4137 20615.2610 14514.5326 262.3022 -203360.7371 2346.3383 0.0000 0.0000 52218.6707 -109387.2187 300.1014 -161605.8894 -109028.0332 299.5252 3.0578 30.7881 759134.8685 3.5207 3.7699 PRESSURE: 1965200 -20.5695 -96.6864 384.406 -96.6871 25.675 -177.867 384.404 -177.869 108.897 GPRESSURE: 1965200 82.6878 -83.3177 382.642 -163.836 12.6891 -198.929 355.037 -158.884 110.531 PRESSAVG: 1965200 39.2056 -28.9827 6.14046 -28.9827 -37.2324 -16.5444 6.14035 -16.5445 4.67927 GPRESSAVG: 1965200 41.4004 -29.3742 5.46598 -29.6271 -37.7371 -17.9253 9.66296 -13.1267 2.76794 TIMING: 1965200 CPU: 6285.94, 0.00313294/step Wall: 6285.94, 0.00313294/step, 2.64107 hours remaining, 231.570312 MB of memory in use. ENERGY: 1965200 3965.4041 20547.9775 14480.2481 246.1487 -203253.9885 2488.5870 0.0000 0.0000 52165.5106 -109360.1124 299.7959 -161525.6230 -108994.3106 299.8504 38.0008 68.6358 760807.7117 2.2175 2.1438 PRESSURE: 1965400 46.9066 -76.8221 -383.415 -76.823 -124.113 -52.1073 -383.415 -52.1069 -225.351 GPRESSURE: 1965400 57.5966 25.1611 -348.015 -46.0402 -127.899 -8.80822 -392.301 -136.394 -147.09 PRESSAVG: 1965400 -49.6589 -58.0679 -17.0704 -58.068 -23.7245 19.9146 -17.0704 19.9146 12.6755 GPRESSAVG: 1965400 -51.3651 -57.1126 -16.9845 -56.4609 -22.9553 22.1355 -21.3586 15.4011 13.4908 TIMING: 1965400 CPU: 6286.56, 0.00313046/step Wall: 6286.56, 0.00313046/step, 2.6388 hours remaining, 231.570312 MB of memory in use. ENERGY: 1965400 3967.6437 20490.8476 14402.8135 243.9988 -203471.0648 2593.3719 0.0000 0.0000 52318.3979 -109453.9914 300.6746 -161772.3893 -109094.4483 300.0732 -100.8524 -72.4641 760452.9891 -20.2359 -20.2765 PRESSURE: 1965600 369.105 10.0582 94.1361 10.0571 -452.015 95.0657 94.1358 95.0664 -368.343 GPRESSURE: 1965600 316.26 -197.9 126.793 77.2411 -356.919 99.1599 20.4157 137.826 -321.806 PRESSAVG: 1965600 108.263 -48.2477 -47.3944 -48.2478 -88.0881 -33.1774 -47.3944 -33.1774 6.75085 GPRESSAVG: 1965600 107.283 -50.4881 -46.6744 -49.3838 -87.867 -32.9028 -44.1015 -32.1077 6.96453 TIMING: 1965600 CPU: 6287.19, 0.00313347/step Wall: 6287.19, 0.00313347/step, 2.64117 hours remaining, 231.570312 MB of memory in use. ENERGY: 1965600 4160.1351 20620.7382 14435.9104 257.8794 -203578.2706 2559.6358 0.0000 0.0000 51964.2083 -109579.7633 298.6390 -161543.9716 -109223.7171 299.6894 -150.4175 -120.8216 759569.2059 8.9752 8.7936 PRESSURE: 1965800 106.183 -90.6945 36.0454 -90.6948 184.569 25.8227 36.045 25.8221 123.705 GPRESSURE: 1965800 162.541 -29.3312 -39.9077 -168.832 196.561 11.885 10.1127 -90.1142 124.409 PRESSAVG: 1965800 27.5565 -26.6067 -17.9089 -26.6067 9.86025 -40.7144 -17.9089 -40.7145 -5.7644 GPRESSAVG: 1965800 28.4583 -25.5234 -17.8438 -25.4924 9.35521 -41.4427 -19.0663 -40.2241 -6.24055 TIMING: 1965800 CPU: 6287.82, 0.00316384/step Wall: 6287.82, 0.00316384/step, 2.66659 hours remaining, 231.570312 MB of memory in use. ENERGY: 1965800 4029.4077 20672.5549 14499.9329 236.8194 -203346.2387 2349.8864 0.0000 0.0000 51996.1554 -109561.4820 298.8226 -161557.6374 -109202.9932 299.7843 138.1524 161.1704 758264.4236 10.5508 10.5243 PRESSURE: 1966000 -258.104 -13.3282 86.5853 -13.3284 297.295 -20.6564 86.5852 -20.6585 -31.6009 GPRESSURE: 1966000 -144.657 -103.979 119.473 27.0421 278.772 -129.253 -61.118 50.1025 -39.5802 PRESSAVG: 1966000 55.8991 -24.9838 -35.7635 -24.9838 -6.13971 -50.2104 -35.7635 -50.2104 38.6662 GPRESSAVG: 1966000 54.9354 -24.6481 -35.006 -23.5204 -5.97243 -51.6385 -36.0118 -48.7974 39.5237 TIMING: 1966000 CPU: 6288.45, 0.00314818/step Wall: 6288.45, 0.00314818/step, 2.65321 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1966000 3999.3337 20551.3195 14458.2535 235.2229 -202953.7662 2160.0900 0.0000 0.0000 52313.3325 -109236.2141 300.6454 -161549.5466 -108859.0111 300.0574 2.5300 31.5116 759828.6621 29.4752 29.4955 PRESSURE: 1966200 187.872 -22.9975 -95.9993 -22.997 152.846 -152.389 -95.999 -152.388 -97.7626 GPRESSURE: 1966200 247.908 42.1883 -34.6621 -51.958 193.289 -161.822 -89.6172 -237.354 -127.459 PRESSAVG: 1966200 65.0507 -21.7741 -24.2772 -21.7742 -16.8882 -22.8105 -24.2772 -22.8104 16.2364 GPRESSAVG: 1966200 65.5105 -19.189 -26.9963 -24.0661 -17.0002 -22.643 -23.2834 -22.57 15.3491 TIMING: 1966200 CPU: 6289.08, 0.00315581/step Wall: 6289.08, 0.00315582/step, 2.65948 hours remaining, 231.570312 MB of memory in use. ENERGY: 1966200 4059.0966 20651.7070 14482.7320 249.6216 -203565.6646 2743.0723 0.0000 0.0000 52187.9044 -109191.5307 299.9246 -161379.4351 -108830.3115 300.1155 80.9852 104.5796 760830.4253 21.4663 21.2865 PRESSURE: 1966400 -154.053 44.1412 46.0096 44.1408 -175.475 -76.9637 46.009 -76.9637 -422.807 GPRESSURE: 1966400 -119.072 95.6114 -26.3257 16.8979 -179.568 -123.115 61.9511 28.3322 -358.122 PRESSAVG: 1966400 22.4597 -8.88992 18.2408 -8.89001 -9.47146 -36.7987 18.2408 -36.7987 -9.45935 GPRESSAVG: 1966400 22.5733 -9.15652 19.9861 -10.8481 -10.5042 -37.989 15.6716 -37.7527 -8.67376 TIMING: 1966400 CPU: 6289.71, 0.00314823/step Wall: 6289.71, 0.00314823/step, 2.65291 hours remaining, 231.570312 MB of memory in use. ENERGY: 1966400 3969.8337 20642.9361 14561.4796 242.1706 -203190.8119 2293.6008 0.0000 0.0000 52083.4776 -109397.3135 299.3245 -161480.7911 -109034.0137 299.8322 -250.7782 -218.9209 761971.5423 1.1763 1.1318 PRESSURE: 1966600 -31.3566 -242.586 -125.51 -242.585 -268.581 -146.964 -125.509 -146.965 -24.4773 GPRESSURE: 1966600 24.7797 -151.575 -97.1056 -107.988 -324.238 -111.336 79.6495 -172.762 65.6527 PRESSAVG: 1966600 26.6789 -16.6493 60.324 -16.6493 -21.5763 -69.6476 60.324 -69.6476 6.37309 GPRESSAVG: 1966600 27.4182 -16.8348 60.7778 -16.7413 -21.9149 -66.8146 61.5217 -70.4563 6.3089 TIMING: 1966600 CPU: 6290.34, 0.00314513/step Wall: 6290.34, 0.00314513/step, 2.65012 hours remaining, 231.570312 MB of memory in use. ENERGY: 1966600 3983.4483 20606.8215 14439.3109 235.1757 -203573.7366 2444.5373 0.0000 0.0000 52354.3641 -109510.0789 300.8813 -161864.4430 -109135.3007 299.7162 -108.1383 -77.9353 760197.0411 3.8252 3.9374 PRESSURE: 1966800 295.358 119.557 160.778 119.557 104.84 216.19 160.777 216.189 150.374 GPRESSURE: 1966800 270.397 114.827 130.857 31.4358 207.379 132.771 153.776 345.034 140.952 PRESSAVG: 1966800 60.203 -23.9199 66.2345 -23.9199 -36.0929 35.9036 66.2344 35.9035 11.3495 GPRESSAVG: 1966800 60.3867 -24.1445 64.151 -22.6157 -35.5639 36.6215 68.244 35.2776 10.5201 TIMING: 1966800 CPU: 6290.97, 0.00312589/step Wall: 6290.97, 0.00312589/step, 2.63374 hours remaining, 231.570312 MB of memory in use. ENERGY: 1966800 3945.6794 20541.2602 14484.9484 226.7985 -203623.5042 2457.6159 0.0000 0.0000 52187.0820 -109780.1196 299.9199 -161967.2017 -109427.8989 299.2320 183.5241 206.2428 759919.0730 11.8199 11.7809 PRESSURE: 1967000 -241.766 -7.4628 -224.383 -7.46336 -70.9326 -102.365 -224.384 -102.365 422.431 GPRESSURE: 1967000 -212.16 -138.002 -223.677 -0.23161 -35.7773 -113.856 -145.578 -59.3167 452.285 PRESSAVG: 1967000 29.9358 1.14819 -5.93414 1.14821 3.09899 27.5346 -5.93413 27.5347 -28.6574 GPRESSAVG: 1967000 29.2868 -1.20508 -2.83531 0.727731 2.91614 24.1479 -6.32789 28.6566 -28.1176 TIMING: 1967000 CPU: 6291.6, 0.00315316/step Wall: 6291.6, 0.00315316/step, 2.65654 hours remaining, 231.570312 MB of memory in use. ENERGY: 1967000 3987.3312 20501.9321 14498.6148 239.5010 -203862.8849 2700.9069 0.0000 0.0000 51973.8546 -109960.7443 298.6945 -161934.5989 -109596.3809 298.7413 36.5776 68.1160 760070.9864 1.4591 1.3618 PRESSURE: 1967200 382.463 -255.989 -40.1781 -255.989 -277.035 -15.9951 -40.1782 -15.9947 -150.32 GPRESSURE: 1967200 434.089 -224.725 -42.7034 -227.707 -311.088 -10.9697 17.1489 -16.7094 -83.187 PRESSAVG: 1967200 21.5772 -45.8771 -55.0587 -45.8771 -6.02873 10.7269 -55.0587 10.7268 16.6523 GPRESSAVG: 1967200 21.4985 -43.0693 -56.4838 -46.5956 -6.21348 12.9985 -55.2428 11.4116 16.9161 TIMING: 1967200 CPU: 6292.23, 0.00315263/step Wall: 6292.23, 0.00315263/step, 2.65592 hours remaining, 231.570312 MB of memory in use. ENERGY: 1967200 3942.0371 20592.9998 14456.5929 224.1036 -204187.5573 2762.9728 0.0000 0.0000 52158.9872 -110049.8639 299.7584 -162208.8511 -109684.0266 298.5776 -14.9641 13.2712 761033.6207 10.7336 10.7337 PRESSURE: 1967400 95.4804 -43.165 89.9059 -43.1657 -213.93 -23.7024 89.906 -23.7023 -49.0819 GPRESSURE: 1967400 81.3069 23.0088 188.087 -91.907 -192.947 20.7959 161.686 -42.7698 19.4402 PRESSAVG: 1967400 66.2112 -35.2065 -19.3875 -35.2065 -13.6156 -25.9326 -19.3875 -25.9326 -10.3659 GPRESSAVG: 1967400 67.0316 -38.9609 -18.3929 -33.3609 -13.8679 -26.5296 -18.5138 -26.9297 -10.6406 TIMING: 1967400 CPU: 6292.86, 0.00315157/step Wall: 6292.86, 0.00315157/step, 2.65485 hours remaining, 231.570312 MB of memory in use. ENERGY: 1967400 4052.8468 20698.6608 14439.1879 267.9729 -204018.2486 2883.2612 0.0000 0.0000 51736.9291 -109939.3899 297.3328 -161676.3190 -109585.4676 298.2581 -55.8437 -30.7331 760604.2770 14.0766 14.1744 PRESSURE: 1967600 -192.452 -96.4101 145.38 -96.41 -78.488 235.408 145.378 235.41 -189.934 GPRESSURE: 1967600 -220.562 -76.1208 32.7907 -67.8919 -14.3523 260.015 146.951 303.645 -145.473 PRESSAVG: 1967600 3.76913 38.9717 21.0384 38.9717 -24.4472 53.8129 21.0384 53.8129 12.9028 GPRESSAVG: 1967600 3.23421 41.3067 20.7027 37.4127 -23.3513 55.1389 18.2584 53.2857 12.5587 TIMING: 1967600 CPU: 6293.49, 0.00314227/step Wall: 6293.49, 0.00314227/step, 2.64684 hours remaining, 231.570312 MB of memory in use. ENERGY: 1967600 3978.3752 20558.1664 14436.3208 259.6771 -203349.9612 2446.0026 0.0000 0.0000 51744.5303 -109926.8888 297.3765 -161671.4190 -109568.4470 298.0037 -153.6245 -126.7958 762659.8862 -2.5918 -2.5195 PRESSURE: 1967800 322.744 132.455 220.688 132.455 102.684 -148.724 220.689 -148.724 371.128 GPRESSURE: 1967800 304.074 103.697 197.376 130.804 193.606 -159.937 44.5696 -124.593 381.566 PRESSAVG: 1967800 48.156 13.4588 7.32549 13.4588 -15.3295 48.5367 7.32547 48.5367 1.83883 GPRESSAVG: 1967800 48.4444 12.1239 6.34182 15.6497 -15.2902 47.8286 8.9245 48.4194 1.5191 TIMING: 1967800 CPU: 6294.12, 0.00315316/step Wall: 6294.12, 0.00315316/step, 2.65584 hours remaining, 231.570312 MB of memory in use. ENERGY: 1967800 3960.1241 20551.0829 14498.2398 230.5941 -204045.2361 2924.3181 0.0000 0.0000 51932.8429 -109948.0342 298.4588 -161880.8771 -109583.2273 298.3790 265.5185 293.0823 761330.2047 11.5551 11.5577 PRESSURE: 1968000 -205.304 -5.22522 -69.0839 -5.22646 86.9161 168.411 -69.0841 168.41 660.966 GPRESSURE: 1968000 -132.41 -63.1914 -196.327 62.2984 176.623 123.439 -140.397 150.254 587.185 PRESSAVG: 1968000 -52.7678 -3.77081 -37.7086 -3.77083 32.1902 18.6117 -37.7086 18.6117 25.0635 GPRESSAVG: 1968000 -53.0142 -3.35103 -38.5416 -4.67436 32.9124 20.5372 -35.9432 18.4054 23.9977 TIMING: 1968000 CPU: 6294.75, 0.00314071/step Wall: 6294.75, 0.00314071/step, 2.64517 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1968000 3997.1609 20549.0142 14418.2041 242.3949 -204239.2122 3026.7355 0.0000 0.0000 51968.9785 -110036.7240 298.6664 -162005.7025 -109673.5430 298.7483 180.8591 210.4663 760778.5563 1.4953 1.2986 PRESSURE: 1968200 -98.7196 -8.54406 -72.1034 -8.54371 216.006 127.506 -72.1034 127.506 60.3295 GPRESSURE: 1968200 -165.6 16.7169 -111.081 -0.683332 270.607 266.718 -62.0783 22.8643 155.681 PRESSAVG: 1968200 -29.4966 -42.747 -14.9558 -42.7471 -10.0505 -7.32794 -14.9559 -7.3279 -35.9333 GPRESSAVG: 1968200 -29.9843 -42.6546 -12.4762 -43.3806 -10.5659 -8.32344 -17.1089 -7.18129 -34.912 TIMING: 1968200 CPU: 6295.37, 0.00314722/step Wall: 6295.37, 0.00314722/step, 2.65048 hours remaining, 231.570312 MB of memory in use. ENERGY: 1968200 3979.0568 20570.3969 14472.0368 242.3307 -203812.0620 2608.0216 0.0000 0.0000 51978.2992 -109961.9200 298.7200 -161940.2192 -109598.4123 298.5033 59.2053 86.8962 760460.1770 -25.1601 -25.1540 LDB: ============= START OF LOAD BALANCING ============== 6307.8 LDB: ============== END OF LOAD BALANCING =============== 6307.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6307.8 LDB: ============= START OF LOAD BALANCING ============== 6308.11 LDB: Largest compute 7031 load 0.034267 is 17.5% of average load 0.195506 LDB: Average compute 0.004397 is 2.2% of average load 0.195506 LDB: TIME 6308.12 LOAD: AVG 0.195506 MAX 0.218631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 6308.12 LOAD: AVG 0.195506 MAX 0.218631 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.34 MB LDB: TIME 6308.12 LOAD: AVG 0.195506 MAX 0.217842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.34 MB LDB: ============== END OF LOAD BALANCING =============== 6308.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6308.12 PRESSURE: 1968400 -270 124.508 98.4996 124.507 -273.171 22.0865 98.499 22.0852 -540.414 GPRESSURE: 1968400 -159.994 123.343 1.05373 191.365 -305.874 11.1489 119.996 -43.6238 -549.126 PRESSAVG: 1968400 0.677168 35.3675 -18.1486 35.3675 13.6674 -21.6798 -18.1487 -21.6799 -11.9148 GPRESSAVG: 1968400 1.23168 35.7979 -18.5964 36.1761 13.711 -23.5376 -16.8847 -21.0789 -11.9702 TIMING: 1968400 CPU: 6296.02, 0.00321011/step Wall: 6296.02, 0.00321011/step, 2.70327 hours remaining, 232.777344 MB of memory in use. ENERGY: 1968400 4059.6336 20635.9544 14439.7691 255.3605 -203502.6685 2293.3461 0.0000 0.0000 51988.2558 -109830.3490 298.7772 -161818.6048 -109466.8582 298.8112 -361.1953 -338.3313 760712.0531 0.8099 0.9908 PRESSURE: 1968600 -60.8587 126.435 -87.9899 126.436 -191.531 -103.522 -87.9895 -103.522 20.5639 GPRESSURE: 1968600 -4.17269 -6.25882 -72.9452 157.446 -141.964 -96.7086 -98.9193 -97.4893 0.554814 PRESSAVG: 1968600 -12.5906 -14.5201 -23.449 -14.5201 10.7419 -1.12792 -23.449 -1.12794 -4.33057 GPRESSAVG: 1968600 -12.2643 -12.1192 -24.0913 -16.5321 11.1711 -0.763297 -26.1417 -0.00743112 -4.6228 TIMING: 1968600 CPU: 6296.65, 0.00314617/step Wall: 6296.65, 0.00314617/step, 2.64925 hours remaining, 232.980469 MB of memory in use. ENERGY: 1968600 3953.0145 20593.7658 14505.9045 228.9246 -203266.3497 2318.1123 0.0000 0.0000 51943.8511 -109722.7769 298.5220 -161666.6280 -109373.4286 299.2855 -77.2754 -48.5274 761889.3204 -2.0598 -1.9053 PRESSURE: 1968800 2.08042 79.5553 -201.718 79.5545 -136.157 57.5776 -201.718 57.5785 -4.6322 GPRESSURE: 1968800 33.9011 80.6702 -152.355 31.6194 -85.7643 85.4386 -75.7505 -14.0761 -10.5871 PRESSAVG: 1968800 13.9569 -53.9689 -42.0659 -53.9688 -3.3258 -30.9645 -42.066 -30.9646 -13.5408 GPRESSAVG: 1968800 15.4855 -56.6537 -41.1126 -53.8004 -4.98092 -28.6896 -38.9062 -33.5921 -12.9309 TIMING: 1968800 CPU: 6297.27, 0.00313462/step Wall: 6297.27, 0.00313462/step, 2.63935 hours remaining, 232.980469 MB of memory in use. ENERGY: 1968800 3986.0955 20574.3530 14533.3112 253.6385 -203337.1006 2292.2590 0.0000 0.0000 51973.5469 -109723.8966 298.6927 -161697.4434 -109362.2280 298.8158 -46.2362 -20.8168 761974.4299 -0.9699 -0.8088 PRESSURE: 1969000 -535.43 118.842 116.609 118.841 -525.402 14.7158 116.609 14.7159 -172.305 GPRESSURE: 1969000 -429.693 135.651 89.4602 88.5213 -530.911 -25.5733 160.416 105.945 -212.249 PRESSAVG: 1969000 4.01108 -25.1836 -18.9814 -25.1836 -15.0409 -3.39329 -18.9814 -3.39315 -1.38538 GPRESSAVG: 1969000 3.91183 -24.735 -19.9426 -24.1812 -13.8911 -5.05316 -19.9612 -0.475706 -2.52655 TIMING: 1969000 CPU: 6297.9, 0.00313009/step Wall: 6297.9, 0.00313009/step, 2.63536 hours remaining, 232.980469 MB of memory in use. ENERGY: 1969000 3997.2568 20710.8635 14424.1970 248.4977 -202711.2066 2116.4966 0.0000 0.0000 51507.5103 -109706.3847 296.0144 -161213.8950 -109355.0831 298.7710 -411.0458 -390.9511 762074.4552 -4.1384 -4.1686 PRESSURE: 1969200 -26.1785 -78.0727 249.996 -78.073 -7.35152 -197.434 249.997 -197.434 291.762 GPRESSURE: 1969200 61.0161 -130.719 222.958 63.1377 -49.0484 -247.874 176.877 -169.664 341.596 PRESSAVG: 1969200 49.5038 -67.9361 57.7488 -67.936 -89.332 8.01421 57.7488 8.01417 1.87903 GPRESSAVG: 1969200 48.1579 -69.5204 57.5489 -67.9371 -89.9778 9.5536 58.5776 5.97255 3.48474 TIMING: 1969200 CPU: 6298.53, 0.0031327/step Wall: 6298.53, 0.0031327/step, 2.63739 hours remaining, 232.980469 MB of memory in use. ENERGY: 1969200 3972.4875 20630.6203 14442.8136 254.2602 -203302.0747 2534.8689 0.0000 0.0000 51681.9775 -109785.0468 297.0170 -161467.0243 -109437.8216 298.1113 86.0772 117.8546 761292.9576 -12.6497 -12.7784 PRESSURE: 1969400 274.262 241.653 76.4087 241.652 -229.199 135.972 76.4095 135.971 346.168 GPRESSURE: 1969400 410.63 131.26 83.0084 229.308 -199.456 83.4194 98.3494 99.4466 257.109 PRESSAVG: 1969400 15.5904 -44.8594 32.9091 -44.8594 -33.7884 5.39898 32.9091 5.39898 -16.7175 GPRESSAVG: 1969400 17.2353 -43.0259 32.3537 -45.1118 -34.4731 3.50604 31.1027 8.80782 -17.5874 TIMING: 1969400 CPU: 6299.15, 0.00313767/step Wall: 6299.15, 0.00313767/step, 2.6414 hours remaining, 232.980469 MB of memory in use. ENERGY: 1969400 3959.2402 20564.4175 14481.8679 260.2771 -203424.5507 2583.5470 0.0000 0.0000 52007.4455 -109567.7556 298.8875 -161575.2011 -109203.3250 298.8064 130.4104 156.0946 762906.0697 -11.6385 -11.6084 PRESSURE: 1969600 -82.622 -144.878 39.4664 -144.878 -107.793 227.38 39.4664 227.382 -143.394 GPRESSURE: 1969600 -135.468 -88.5904 60.3327 -140.014 -123.705 238.563 33.6745 147.639 -14.1603 PRESSAVG: 1969600 -45.8731 -38.3907 -27.745 -38.3907 26.0717 -16.0962 -27.745 -16.0962 -3.22907 GPRESSAVG: 1969600 -47.872 -39.6905 -27.1596 -37.2625 26.2979 -16.1046 -26.4589 -16.4796 -1.13424 TIMING: 1969600 CPU: 6299.78, 0.00314875/step Wall: 6299.78, 0.00314875/step, 2.65055 hours remaining, 232.980469 MB of memory in use. ENERGY: 1969600 3989.3086 20638.9600 14426.7117 248.4398 -203011.0523 2399.9118 0.0000 0.0000 51756.6759 -109551.0444 297.4463 -161307.7203 -109210.9237 298.1177 -111.2699 -91.1110 762038.4780 -7.6768 -7.5694 PRESSURE: 1969800 -148.301 -208.641 -97.078 -208.641 157.566 63.1213 -97.0776 63.1217 -171.732 GPRESSURE: 1969800 -78.6249 -201.946 -129.306 -238.703 165.811 60.6461 -106.506 -52.4276 -143.892 PRESSAVG: 1969800 29.5633 -57.9348 38.7901 -57.9349 -6.00167 10.0169 38.79 10.0169 -2.85338 GPRESSAVG: 1969800 30.4077 -54.7157 38.3567 -59.6255 -5.59195 10.4344 39.0175 8.14214 -3.66294 TIMING: 1969800 CPU: 6300.41, 0.00314456/step Wall: 6300.41, 0.00314456/step, 2.64685 hours remaining, 232.980469 MB of memory in use. ENERGY: 1969800 3893.6370 20481.6169 14449.5501 243.1317 -203356.9442 2683.9115 0.0000 0.0000 52294.6728 -109310.4241 300.5382 -161605.0969 -108946.1840 298.9547 -54.1557 -18.9018 761776.3130 6.9027 7.0509 PRESSURE: 1970000 82.5968 -119 -340.694 -119.002 -1.28734 -299.011 -340.694 -299.011 -130.885 GPRESSURE: 1970000 78.9723 -36.692 -286.879 -61.3657 34.7712 -391.462 -291.823 -172.722 -88.0983 PRESSAVG: 1970000 -3.33182 -19.5026 -41.6617 -19.5026 0.798692 -44.384 -41.6617 -44.3839 27.1786 GPRESSAVG: 1970000 -4.31121 -20.7416 -40.4776 -18.5329 2.07493 -43.3679 -42.7756 -44.2049 26.7652 TIMING: 1970000 CPU: 6301.04, 0.00314246/step Wall: 6301.04, 0.00314247/step, 2.64491 hours remaining, 232.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1970000 3983.7538 20443.0892 14414.4254 240.9742 -203118.5059 2500.7721 0.0000 0.0000 52039.8299 -109495.6613 299.0736 -161535.4912 -109139.6261 299.2223 -16.5252 8.5484 763345.7376 8.2152 8.1763 PRESSURE: 1970200 62.7224 61.977 -96.1267 61.9771 -27.7683 -130.13 -96.1274 -130.13 143.322 GPRESSURE: 1970200 84.9119 153.63 -88.1069 179.705 31.0539 -231.319 -53.7952 -96.6744 141.179 PRESSAVG: 1970200 -31.3231 -16.1194 -44.3466 -16.1194 -21.3339 -65.6679 -44.3466 -65.6679 9.98516 GPRESSAVG: 1970200 -29.4665 -18.5053 -44.7369 -14.0826 -23.4829 -65.9307 -43.7155 -66.7295 10.2748 TIMING: 1970200 CPU: 6301.67, 0.00313366/step Wall: 6301.67, 0.00313366/step, 2.63732 hours remaining, 232.980469 MB of memory in use. ENERGY: 1970200 3982.8504 20326.1376 14446.8105 252.0162 -203467.2661 2676.3392 0.0000 0.0000 52187.9549 -109595.1571 299.9249 -161783.1120 -109231.9657 299.0722 59.4255 85.7149 763092.5993 -14.2240 -14.2249 PRESSURE: 1970400 387.881 31.2844 51.4733 31.2834 101.346 295.768 51.4741 295.768 100.366 GPRESSURE: 1970400 456.444 -40.6956 -42.8042 -3.85535 153.561 291.437 126.988 324.099 82.3618 PRESSAVG: 1970400 30.2087 -65.7345 22.7741 -65.7345 7.9655 -61.51 22.7741 -61.51 -2.4042 GPRESSAVG: 1970400 29.0955 -63.1279 22.7921 -67.9706 8.85486 -62.1863 22.6557 -59.2154 -1.7037 TIMING: 1970400 CPU: 6302.3, 0.00315282/step Wall: 6302.3, 0.00315282/step, 2.65327 hours remaining, 232.980469 MB of memory in use. ENERGY: 1970400 3864.7153 20444.4212 14426.2160 231.7396 -203345.5750 2811.1428 0.0000 0.0000 51912.4490 -109654.8911 298.3416 -161567.3401 -109296.6966 298.9018 196.5310 230.7891 761390.6364 11.9233 12.0822 PRESSURE: 1970600 52.8191 -222.548 158.864 -222.548 -42.1142 6.43835 158.865 6.43924 173.705 GPRESSURE: 1970600 -3.24467 -228.716 85.2428 -78.1597 84.2732 172.56 139.553 21.7453 171.704 PRESSAVG: 1970600 1.21668 -29.0898 29.8236 -29.0898 -11.4779 38.0366 29.8235 38.0367 23.523 GPRESSAVG: 1970600 1.74863 -29.2392 29.0647 -29.9633 -10.3071 38.1281 31.049 37.3538 21.8208 TIMING: 1970600 CPU: 6302.93, 0.00314257/step Wall: 6302.93, 0.00314257/step, 2.64447 hours remaining, 232.980469 MB of memory in use. ENERGY: 1970600 3945.6476 20404.9439 14455.3227 250.9694 -202884.2306 2366.1053 0.0000 0.0000 51891.3292 -109569.9125 298.2202 -161461.2417 -109204.8873 298.7429 61.4698 84.2441 761408.9642 4.4206 4.4208 PRESSURE: 1970800 191.329 177.984 -40.6737 177.985 -99.1188 96.7242 -40.6729 96.7239 -157.335 GPRESSURE: 1970800 235.029 179.857 -77.6399 116.645 -79.561 74.0086 -106.867 176.702 -142.147 PRESSAVG: 1970800 10.1306 2.34384 -4.14032 2.34381 14.1936 -41.9381 -4.14031 -41.938 2.3304 GPRESSAVG: 1970800 9.79327 0.92723 -4.31228 1.6683 14.2275 -42.3288 -5.74512 -42.8539 2.7054 TIMING: 1970800 CPU: 6303.56, 0.0031502/step Wall: 6303.56, 0.0031502/step, 2.65072 hours remaining, 232.980469 MB of memory in use. ENERGY: 1970800 3888.6362 20349.0040 14491.4525 237.1308 -202944.8717 2254.1567 0.0000 0.0000 51965.1523 -109759.3393 298.6444 -161724.4916 -109393.5920 298.7578 -21.7082 4.4401 761394.2971 8.8849 8.9087 PRESSURE: 1971000 175.363 -332.741 94.1825 -332.743 100.005 52.2721 94.1837 52.2732 70.0786 GPRESSURE: 1971000 269.75 -354.6 93.059 -291.078 96.6915 42.6383 118.056 -13.0433 68.9201 PRESSAVG: 1971000 9.16169 -70.6902 15.5967 -70.6902 -26.3161 -57.3876 15.5966 -57.3876 -26.3902 GPRESSAVG: 1971000 10.6056 -70.8251 15.9736 -67.1088 -26.9591 -58.3851 15.314 -57.7779 -27.397 TIMING: 1971000 CPU: 6304.19, 0.00315493/step Wall: 6304.19, 0.00315493/step, 2.65452 hours remaining, 232.980469 MB of memory in use. ENERGY: 1971000 3962.6778 20469.4390 14443.8646 228.9020 -203474.7688 2582.2083 0.0000 0.0000 52186.5554 -109601.1216 299.9169 -161787.6770 -109249.8163 298.5362 115.1490 145.1205 762313.9320 -14.5149 -14.5835 PRESSURE: 1971200 -161.582 23.5923 365.42 23.5927 27.5219 164.828 365.419 164.828 104.75 GPRESSURE: 1971200 -162.779 -54.1412 332.497 -32.3678 69.1289 178.301 224.997 13.6062 124.837 PRESSAVG: 1971200 -27.9319 -47.4186 32.5993 -47.4186 14.249 -2.44183 32.5993 -2.4418 6.09301 GPRESSAVG: 1971200 -28.5511 -47.0588 32.8753 -50.3312 14.3538 -0.212465 31.8258 -2.05222 6.95748 TIMING: 1971200 CPU: 6304.82, 0.00314803/step Wall: 6304.82, 0.00314803/step, 2.64854 hours remaining, 232.980469 MB of memory in use. ENERGY: 1971200 3842.6201 20467.8801 14450.6589 249.4638 -203668.5641 2632.1289 0.0000 0.0000 52296.3005 -109729.5117 300.5476 -162025.8122 -109365.0093 298.7493 -9.7702 10.3954 761092.7068 -2.5300 -2.4133 PRESSURE: 1971400 188.185 164.554 -87.08 164.554 93.4404 0.216352 -87.0797 0.216881 102.365 GPRESSURE: 1971400 136.084 53.3322 -167.36 -23.2839 240.909 -66.5393 46.967 72.3465 88.4611 PRESSAVG: 1971400 -15.9304 -23.2575 34.1636 -23.2576 36.3324 1.4093 34.1636 1.40922 27.8817 GPRESSAVG: 1971400 -16.196 -23.4135 35.4952 -22.7482 36.8579 0.598425 37.5078 3.52393 27.7458 TIMING: 1971400 CPU: 6305.44, 0.00312761/step Wall: 6305.44, 0.00312761/step, 2.63118 hours remaining, 232.980469 MB of memory in use. ENERGY: 1971400 3986.2734 20380.3085 14434.4430 231.2122 -203268.8558 2727.1339 0.0000 0.0000 52157.2701 -109352.2148 299.7485 -161509.4848 -109002.3434 299.4225 127.9968 155.1514 759467.8556 16.0946 16.1359 PRESSURE: 1971600 339.852 -103.906 -69.378 -103.906 -51.1244 -59.0147 -69.3777 -59.0146 77.0328 GPRESSURE: 1971600 262.318 -108.221 3.34846 -59.6539 96.8656 -60.1447 -179.714 51.0589 78.7368 PRESSAVG: 1971600 20.7468 -36.7352 23.4472 -36.7353 11.622 19.9997 23.4472 19.9998 3.32144 GPRESSAVG: 1971600 21.479 -38.2619 21.9672 -35.6308 10.7608 19.1838 21.8448 17.6744 3.63583 TIMING: 1971600 CPU: 6306.07, 0.00315734/step Wall: 6306.07, 0.00315734/step, 2.65603 hours remaining, 232.980469 MB of memory in use. ENERGY: 1971600 4006.2852 20491.9530 14415.3454 262.7997 -203131.2976 2555.0654 0.0000 0.0000 52130.3696 -109269.4793 299.5940 -161399.8489 -108915.9153 300.0967 121.9201 145.9734 760332.7571 11.8967 11.9585 PRESSURE: 1971800 -215.277 -86.9022 -95.0485 -86.9014 -186.95 -129.737 -95.0492 -129.736 160.211 GPRESSURE: 1971800 17.0378 2.08498 -23.2285 -29.6729 -301.596 -75.2741 70.7334 -105.286 130.32 PRESSAVG: 1971800 13.9588 -77.484 -27.3603 -77.4841 -75.5855 49.294 -27.3603 49.2939 -5.65144 GPRESSAVG: 1971800 13.1131 -75.6928 -26.5215 -78.9258 -75.4863 50.8821 -28.1675 49.2495 -5.02381 TIMING: 1971800 CPU: 6306.71, 0.00315828/step Wall: 6306.71, 0.00315828/step, 2.65664 hours remaining, 232.980469 MB of memory in use. ENERGY: 1971800 4009.8527 20452.1559 14462.0444 264.2203 -202934.8984 2174.4671 0.0000 0.0000 52072.7398 -109499.4182 299.2628 -161572.1580 -109142.9296 299.1026 -80.6718 -51.4125 760521.6253 -22.4261 -22.4656 PRESSURE: 1972000 -15.7442 -75.8154 -108.246 -75.8163 -163.04 312.323 -108.246 312.322 103.274 GPRESSURE: 1972000 128.984 -125.872 -143.124 -121.708 -210.726 295.671 -78.6642 254.319 114.838 PRESSAVG: 1972000 34.4608 -52.0763 -7.84619 -52.0763 -58.06 -0.666663 -7.84622 -0.666686 2.28391 GPRESSAVG: 1972000 36.0618 -52.1998 -9.55582 -52.6467 -58.9283 -0.666649 -5.66142 -0.330182 1.6984 TIMING: 1972000 CPU: 6307.34, 0.00316286/step Wall: 6307.34, 0.00316286/step, 2.66032 hours remaining, 232.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1972000 3980.4864 20324.0759 14476.2658 251.1216 -203012.3887 2563.2436 0.0000 0.0000 52030.3499 -109386.8454 299.0191 -161417.1953 -109022.6782 298.9469 -25.1699 11.0320 763065.8887 -7.1051 -7.0560 PRESSURE: 1972200 -144.14 -50.9384 142.173 -50.9386 -4.52882 135.752 142.173 135.751 -170.802 GPRESSURE: 1972200 -155.282 69.0687 94.3159 1.56617 58.8878 150.849 130.199 80.1715 -162.137 PRESSAVG: 1972200 25.05 -56.4185 -23.2876 -56.4186 -62.6729 7.94826 -23.2875 7.94826 2.0237 GPRESSAVG: 1972200 23.4855 -56.0515 -22.634 -57.2955 -62.4842 8.69359 -25.9664 4.158 3.36101 TIMING: 1972200 CPU: 6307.97, 0.00314565/step Wall: 6307.97, 0.00314565/step, 2.64567 hours remaining, 232.980469 MB of memory in use. ENERGY: 1972200 3976.6851 20340.4110 14481.5939 241.4712 -203121.3296 2336.6954 0.0000 0.0000 52143.3430 -109601.1300 299.6685 -161744.4730 -109233.1317 298.8183 -106.4903 -86.1771 763119.4998 -11.8664 -11.8792 LDB: ============= START OF LOAD BALANCING ============== 6320.39 LDB: ============== END OF LOAD BALANCING =============== 6320.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6320.39 LDB: ============= START OF LOAD BALANCING ============== 6320.71 LDB: Largest compute 7031 load 0.032782 is 16.8% of average load 0.195425 LDB: Average compute 0.004397 is 2.3% of average load 0.195425 LDB: TIME 6320.71 LOAD: AVG 0.195425 MAX 0.216597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.293 MB LDB: TIME 6320.71 LOAD: AVG 0.195425 MAX 0.216597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.293 MB LDB: TIME 6320.71 LOAD: AVG 0.195425 MAX 0.216597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.293 MB LDB: ============== END OF LOAD BALANCING =============== 6320.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6320.72 PRESSURE: 1972400 -273.443 101.798 147.917 101.798 -106.194 -209.111 147.917 -209.11 264.943 GPRESSURE: 1972400 -168.464 76.758 255.607 169.349 -128.981 -155.843 -0.0390595 -180.862 248.037 PRESSAVG: 1972400 9.00938 -42.3545 18.2053 -42.3545 -5.71001 -39.8292 18.2053 -39.8292 0.0430438 GPRESSAVG: 1972400 8.57063 -44.7479 19.6278 -40.5392 -4.59264 -42.5948 18.5648 -37.9303 -1.00831 TIMING: 1972400 CPU: 6308.61, 0.00322106/step Wall: 6308.61, 0.00322106/step, 2.70891 hours remaining, 231.570312 MB of memory in use. ENERGY: 1972400 3955.7090 20447.4493 14509.1361 251.1113 -203591.2303 2700.9708 0.0000 0.0000 51868.5057 -109858.3481 298.0890 -161726.8538 -109496.2347 298.3538 -38.2314 -16.4694 761844.2504 1.1141 0.9899 PRESSURE: 1972600 -248.101 47.3865 -248.823 47.3863 80.2618 -171.342 -248.823 -171.34 -515.452 GPRESSURE: 1972600 -148.618 87.1097 -240.701 -39.7929 32.8087 -164.832 -126.336 -76.8772 -486.299 PRESSAVG: 1972600 42.7906 -31.5879 32.1831 -31.588 -27.9787 -30.3252 32.1831 -30.3252 38.0422 GPRESSAVG: 1972600 42.2042 -29.9358 29.3092 -32.0175 -27.3729 -26.7199 33.129 -29.5437 37.9566 TIMING: 1972600 CPU: 6309.24, 0.00315015/step Wall: 6309.24, 0.00315015/step, 2.6491 hours remaining, 231.769531 MB of memory in use. ENERGY: 1972600 4070.8794 20486.3409 14493.0789 235.1280 -203158.8001 2338.9806 0.0000 0.0000 51923.3158 -109611.0767 298.4040 -161534.3925 -109247.6250 298.8268 -227.7638 -200.7029 762296.8542 17.6180 17.5959 PRESSURE: 1972800 253.639 -57.9248 -86.3834 -57.9254 -15.7484 -118.553 -86.383 -118.554 434.435 GPRESSURE: 1972800 367.031 -115.415 -94.9694 -125.199 -14.6671 -81.6536 -107.71 -96.8347 412.932 PRESSAVG: 1972800 46.8549 -65.3857 -6.40621 -65.3857 -9.44378 11.1592 -6.40614 11.1592 -0.591263 GPRESSAVG: 1972800 48.9252 -64.3359 -4.61851 -65.6872 -11.7369 10.1776 -5.60248 12.6223 -0.16432 TIMING: 1972800 CPU: 6309.87, 0.00315253/step Wall: 6309.87, 0.00315253/step, 2.65093 hours remaining, 231.769531 MB of memory in use. ENERGY: 1972800 3943.1479 20428.9705 14503.5409 260.8702 -203370.9737 2672.7232 0.0000 0.0000 51987.5541 -109574.1669 298.7732 -161561.7211 -109212.1524 298.6694 224.1083 255.0985 761205.4417 12.2733 12.3413 PRESSURE: 1973000 213.228 -14.7328 -136.051 -14.7327 -291.845 54.4348 -136.052 54.4345 -120.572 GPRESSURE: 1973000 246.525 -134.724 -128.856 113.044 -278.241 31.2206 -173.281 -64.9651 -79.7327 PRESSAVG: 1973000 76.1069 10.7833 -14.2429 10.7833 -68.5502 -18.5732 -14.2429 -18.5733 -9.03127 GPRESSAVG: 1973000 74.4784 10.4265 -16.1415 10.3518 -68.8135 -20.3625 -12.8955 -18.81 -7.20006 TIMING: 1973000 CPU: 6310.5, 0.00312465/step Wall: 6310.5, 0.00312465/step, 2.62731 hours remaining, 231.769531 MB of memory in use. ENERGY: 1973000 3957.7149 20387.3214 14432.2659 241.5099 -202751.6498 2189.4833 0.0000 0.0000 52182.7343 -109360.6202 299.8949 -161543.3545 -108989.7758 299.0058 -66.3963 -37.1495 761155.6405 -0.4915 -0.5117 PRESSURE: 1973200 -282.194 -181.13 203.17 -181.13 279.851 332.211 203.168 332.211 -149.361 GPRESSURE: 1973200 -179.732 -148.601 174.745 -59.2563 221.408 193.023 77.4888 212.941 -141.028 PRESSAVG: 1973200 64.9384 -8.43346 -27.1502 -8.43348 -41.2914 53.6875 -27.1502 53.6875 18.7141 GPRESSAVG: 1973200 66.7154 -8.64414 -25.8046 -8.87616 -40.8283 53.2103 -29.3314 52.5619 16.2798 TIMING: 1973200 CPU: 6311.13, 0.00314808/step Wall: 6311.13, 0.00314808/step, 2.64684 hours remaining, 231.769531 MB of memory in use. ENERGY: 1973200 3987.3156 20632.1472 14471.6324 253.2621 -203116.1225 2537.1477 0.0000 0.0000 52001.2334 -109233.3842 298.8518 -161234.6176 -108858.9276 299.4236 -50.5678 -33.1172 761575.9079 14.1204 14.0556 PRESSURE: 1973400 24.1641 -43.381 49.8944 -43.3809 -172.046 -163.354 49.8938 -163.354 -516.744 GPRESSURE: 1973400 -44.1983 -37.8216 0.164881 -30.9287 -37.1687 -80.3872 81.7261 -126.161 -497.925 PRESSAVG: 1973400 28.2773 15.6855 27.5842 15.6855 -36.5763 23.6717 27.5842 23.6717 -2.18099 GPRESSAVG: 1973400 27.8821 14.944 26.9998 15.8415 -35.8018 25.1111 28.9752 22.8919 -2.59338 TIMING: 1973400 CPU: 6311.75, 0.00313857/step Wall: 6311.75, 0.00313857/step, 2.63867 hours remaining, 231.769531 MB of memory in use. ENERGY: 1973400 4001.9545 20555.1525 14439.9284 249.6400 -202848.8285 2336.0784 0.0000 0.0000 52000.1669 -109265.9078 298.8457 -161266.0747 -108899.4690 299.5166 -221.5420 -193.0973 763499.5367 -3.4933 -3.5044 PRESSURE: 1973600 230.079 -49.5508 106.235 -49.5497 329.161 18.8024 106.234 18.8026 191.781 GPRESSURE: 1973600 267.083 -45.0982 141.041 74.4578 323.033 -20.7489 175.985 -91.0127 237.33 PRESSAVG: 1973600 -3.96351 0.0601742 24.7456 0.0601931 -3.16869 -24.6854 24.7456 -24.6854 -33.5272 GPRESSAVG: 1973600 -4.41294 -0.248825 25.2276 1.94181 -3.56833 -26.0459 24.4957 -24.5036 -32.6205 TIMING: 1973600 CPU: 6312.38, 0.00313094/step Wall: 6312.38, 0.00313094/step, 2.63208 hours remaining, 231.769531 MB of memory in use. ENERGY: 1973600 3984.4990 20476.8518 14454.6589 244.5934 -203974.7129 2882.1656 0.0000 0.0000 52407.6824 -109524.2618 301.1877 -161931.9442 -109159.8503 299.6251 250.3404 275.8154 760453.2874 -13.5531 -13.5339 PRESSURE: 1973800 478.985 -46.0968 184.402 -46.0969 152.709 104.159 184.401 104.158 484.615 GPRESSURE: 1973800 612.712 154.478 177.474 -125.82 93.9869 175.003 135.155 -1.10172 492.216 PRESSAVG: 1973800 51.2593 35.0294 -18.408 35.0295 -71.9204 -9.35912 -18.408 -9.35915 -1.33067 GPRESSAVG: 1973800 52.8286 37.6691 -19.2771 33.3389 -72.799 -8.65634 -17.9788 -9.5412 -1.91806 TIMING: 1973800 CPU: 6313.01, 0.00315224/step Wall: 6313.01, 0.00315224/step, 2.64981 hours remaining, 231.769531 MB of memory in use. ENERGY: 1973800 3957.1813 20527.5035 14530.8043 250.2125 -203969.2460 2915.0360 0.0000 0.0000 52237.2768 -109551.2315 300.2083 -161788.5083 -109187.1374 299.6595 372.1031 399.6384 759732.3909 -7.3306 -7.2961 PRESSURE: 1974000 447.204 -93.6052 -97.1894 -93.6047 136.962 14.3781 -97.1898 14.3788 -216.786 GPRESSURE: 1974000 417.837 10.5255 -112.284 -142.055 200.903 8.15529 -59.6743 -6.8181 -158.934 PRESSAVG: 1974000 55.0984 -7.85473 -29.472 -7.85466 -79.0616 -14.4626 -29.4721 -14.4626 -24.7336 GPRESSAVG: 1974000 53.8497 -8.69106 -29.006 -6.13884 -77.8439 -14.6259 -30.6895 -15.2025 -24.3891 TIMING: 1974000 CPU: 6313.64, 0.00314754/step Wall: 6313.64, 0.00314754/step, 2.64568 hours remaining, 231.769531 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: 1974000 4056.6166 20530.8502 14521.4014 241.8829 -203703.6605 2803.9483 0.0000 0.0000 52008.0258 -109540.9353 298.8908 -161548.9611 -109175.8131 299.4544 122.4598 153.2687 759248.1937 -16.2323 -16.1278 PRESSURE: 1974200 278.778 72.7011 22.0696 72.7016 295.466 27.6144 22.0692 27.6148 -58.6098 GPRESSURE: 1974200 285.827 -68.5124 -22.5511 106.686 370.628 16.728 156.913 -15.8419 -52.5471 PRESSAVG: 1974200 23.8649 -10.1313 39.4335 -10.1313 -27.001 -10.7979 39.4335 -10.7979 -2.54066 GPRESSAVG: 1974200 23.6774 -10.9045 39.4315 -9.51991 -26.2497 -10.9546 40.5107 -10.856 -3.38697 TIMING: 1974200 CPU: 6314.27, 0.00315782/step Wall: 6314.27, 0.00315782/step, 2.65415 hours remaining, 231.769531 MB of memory in use. ENERGY: 1974200 3984.1904 20403.2509 14431.2286 248.4386 -203714.6204 2896.0345 0.0000 0.0000 52157.7760 -109593.7013 299.7515 -161751.4774 -109220.6048 299.6818 171.8781 201.3027 760041.8103 -1.8923 -1.9864 PRESSURE: 1974400 -137.786 224.088 -375.054 224.087 -346.276 117.623 -375.053 117.625 215.993 GPRESSURE: 1974400 27.5159 244.675 -352.833 218.52 -420.927 138.771 -359.474 28.3051 194.048 PRESSAVG: 1974400 28.4708 -37.8649 -19.2854 -37.8649 -11.6616 42.9508 -19.2854 42.9508 -5.26544 GPRESSAVG: 1974400 28.7288 -38.5301 -17.7343 -39.7334 -12.3516 43.8703 -21.19 43.4361 -5.46669 TIMING: 1974400 CPU: 6314.9, 0.00314549/step Wall: 6314.9, 0.00314549/step, 2.64361 hours remaining, 231.769531 MB of memory in use. ENERGY: 1974400 3961.1956 20509.7840 14495.0584 254.9334 -203331.5731 2444.5567 0.0000 0.0000 51998.8267 -109667.2184 298.8380 -161666.0450 -109305.2801 298.9267 -89.3564 -66.4543 761252.0697 3.8479 3.6368 PRESSURE: 1974600 -18.8915 25.7002 -139.786 25.6999 162.081 189.927 -139.786 189.927 -14.0207 GPRESSURE: 1974600 60.5305 -52.0999 -137.061 -56.2375 243.739 182.03 -140.106 56.154 -103.568 PRESSAVG: 1974600 47.434 52.6378 -1.83108 52.6378 -81.3578 -42.3908 -1.83107 -42.3909 0.0713583 GPRESSAVG: 1974600 47.8736 53.906 -4.01016 52.9852 -82.3568 -43.1931 -1.8561 -41.9457 0.610079 TIMING: 1974600 CPU: 6315.53, 0.00314788/step Wall: 6315.53, 0.00314788/step, 2.64544 hours remaining, 231.769531 MB of memory in use. ENERGY: 1974600 3938.8577 20344.3604 14480.8903 239.6666 -203151.4831 2471.1040 0.0000 0.0000 51963.9965 -109712.6075 298.6378 -161676.6040 -109346.9157 298.7623 43.0564 66.9006 761858.0541 -11.2842 -11.2910 PRESSURE: 1974800 77.7158 69.7266 129.268 69.7269 -104.489 -139.425 129.267 -139.425 -429.289 GPRESSURE: 1974800 109.735 147.38 131.193 -156.852 -62.2149 -252.305 57.7414 -122.956 -427.915 PRESSAVG: 1974800 43.7295 -39.8908 -13.1864 -39.8908 -39.2234 -38.3994 -13.1864 -38.3993 -6.89816 GPRESSAVG: 1974800 43.6046 -40.0623 -12.5666 -40.9211 -39.4004 -37.2778 -11.8715 -37.9042 -6.62597 TIMING: 1974800 CPU: 6316.16, 0.00316043/step Wall: 6316.16, 0.00316043/step, 2.65581 hours remaining, 231.769531 MB of memory in use. ENERGY: 1974800 4019.5908 20458.9097 14449.7619 258.5166 -203408.8148 2546.1377 0.0000 0.0000 51874.1594 -109801.7386 298.1215 -161675.8980 -109441.2243 298.4677 -152.0208 -126.7984 763279.6822 -0.7974 -0.8073 PRESSURE: 1975000 -113.333 -254.997 -88.2643 -254.998 -53.7287 -53.5467 -88.2658 -53.5465 -381.979 GPRESSURE: 1975000 -0.517323 -244.238 -46.9921 -64.7598 -153.003 20.0612 -101.128 -61.9491 -301.081 PRESSAVG: 1975000 57.9309 -45.461 -36.79 -45.461 -25.6976 -12.9917 -36.79 -12.9918 -13.9463 GPRESSAVG: 1975000 57.2353 -46.6796 -36.3207 -43.0669 -26.052 -12.839 -37.064 -12.5699 -13.6415 TIMING: 1975000 CPU: 6316.79, 0.00314305/step Wall: 6316.79, 0.00314305/step, 2.64103 hours remaining, 231.769531 MB of memory in use. ENERGY: 1975000 4015.4222 20488.9021 14555.2844 232.9797 -203813.9981 2689.8292 0.0000 0.0000 51865.5924 -109965.9880 298.0723 -161831.5805 -109606.2373 298.8368 -183.0137 -151.5339 761787.9637 6.0957 5.8473 PRESSURE: 1975200 -76.2185 204.485 181.267 204.484 39.9355 198.291 181.267 198.291 -87.5605 GPRESSURE: 1975200 -82.6872 169.321 168.945 120.118 29.1238 174.166 138.556 119.69 -3.34598 PRESSAVG: 1975200 29.2707 -16.0713 39.1591 -16.0713 -14.1401 7.96735 39.159 7.96748 6.21504 GPRESSAVG: 1975200 29.5751 -14.1261 40.9165 -18.2836 -13.1559 7.33926 38.2148 8.46759 5.30919 TIMING: 1975200 CPU: 6317.42, 0.00314669/step Wall: 6317.42, 0.00314669/step, 2.64392 hours remaining, 231.769531 MB of memory in use. ENERGY: 1975200 3961.5438 20479.3299 14538.2476 257.8437 -203638.7700 2502.2578 0.0000 0.0000 51972.7502 -109926.7971 298.6881 -161899.5473 -109564.5054 298.5927 -41.2812 -18.9698 760426.0019 7.1152 7.2428 PRESSURE: 1975400 -118.561 -59.6478 -19.2813 -59.6479 229.642 -285.37 -19.2815 -285.372 -131.107 GPRESSURE: 1975400 -4.40341 -122.751 -80.753 -79.0482 151.73 -261.566 -72.5459 -290.603 -78.6809 PRESSAVG: 1975400 87.8828 31.2716 -0.424636 31.2717 -65.682 -18.6813 -0.42459 -18.6813 -7.03778 GPRESSAVG: 1975400 89.0208 30.0717 -0.914234 31.3371 -66.2789 -17.6098 -0.395605 -21.1006 -7.09458 TIMING: 1975400 CPU: 6318.05, 0.00313877/step Wall: 6318.05, 0.00313877/step, 2.63709 hours remaining, 231.769531 MB of memory in use. ENERGY: 1975400 4040.6403 20340.1587 14488.2373 239.4213 -203538.9812 2655.7308 0.0000 0.0000 51933.8076 -109840.9852 298.4643 -161774.7928 -109480.1088 298.2249 -6.6754 22.8819 760648.0322 5.0544 5.2158 PRESSURE: 1975600 428.668 9.54029 -161.056 9.54024 -116.92 22.922 -161.056 22.922 199.195 GPRESSURE: 1975600 408.962 -0.588314 -178.062 -44.0003 -68.2944 67.4844 58.7437 -30.1319 247.352 PRESSAVG: 1975600 89.7095 -10.4308 22.4664 -10.4309 -82.2395 40.4323 22.4663 40.4323 2.00431 GPRESSAVG: 1975600 89.2915 -7.62783 22.3973 -11.4917 -82.3101 38.4972 23.8819 42.8505 2.08103 TIMING: 1975600 CPU: 6318.68, 0.00315605/step Wall: 6318.68, 0.00315605/step, 2.65143 hours remaining, 231.769531 MB of memory in use. ENERGY: 1975600 3915.7022 20363.6200 14534.8603 248.4424 -203583.7387 2507.8695 0.0000 0.0000 52151.6443 -109861.6000 299.7162 -162013.2443 -109496.4318 298.3686 170.3144 196.0066 760881.8116 3.1581 3.0208 PRESSURE: 1975800 293.612 -111.512 -178.764 -111.512 -205.839 -150.882 -178.764 -150.882 212.414 GPRESSURE: 1975800 310.057 -96.8657 -113.486 22.7999 -80.5344 -182.659 -226.329 -113.3 163.397 PRESSAVG: 1975800 3.23111 -14.0269 -52.2723 -14.0268 -36.3019 10.1085 -52.2723 10.1084 2.06187 GPRESSAVG: 1975800 2.84061 -16.2336 -54.0978 -12.6218 -35.0527 9.96876 -52.7291 8.42916 0.727551 TIMING: 1975800 CPU: 6319.31, 0.00313384/step Wall: 6319.31, 0.00313384/step, 2.6326 hours remaining, 231.769531 MB of memory in use. ENERGY: 1975800 3968.3732 20457.6725 14491.0857 247.7092 -203663.9266 2723.3099 0.0000 0.0000 51965.6516 -109810.1245 298.6473 -161775.7761 -109448.6792 299.2614 100.0623 130.9731 760623.8196 -10.3363 -10.4948 PRESSURE: 1976000 249.17 174.903 -89.0142 174.903 54.1377 78.6822 -89.0149 78.682 288.072 GPRESSURE: 1976000 224.116 26.504 0.774336 203.28 170.531 126.91 -104.569 -52.4257 271.758 PRESSAVG: 1976000 9.39379 12.5425 -75.7802 12.5424 -13.3174 -36.106 -75.7802 -36.106 -34.8466 GPRESSAVG: 1976000 8.21628 14.5876 -74.5113 12.9761 -12.977 -33.9447 -75.7004 -34.4482 -33.9091 TIMING: 1976000 CPU: 6319.94, 0.00315089/step Wall: 6319.94, 0.00315089/step, 2.64674 hours remaining, 231.769531 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: 1976000 3922.9930 20636.8187 14494.2546 236.6655 -203771.4782 2574.0709 0.0000 0.0000 51991.7275 -109914.9479 298.7972 -161906.6754 -109557.5857 298.6268 197.1263 222.1349 759116.0607 -12.9234 -12.8899 PRESSURE: 1976200 -68.9791 -11.8753 33.0733 -11.8755 29.6115 27.0707 33.0733 27.0702 -71.5415 GPRESSURE: 1976200 -93.8229 -14.984 22.8741 -102.197 98.9694 56.9758 59.4916 -34.3918 -49.0832 PRESSAVG: 1976200 68.7594 -32.8837 21.1794 -32.8837 -41.8572 -108.179 21.1794 -108.179 20.6995 GPRESSAVG: 1976200 68.2686 -35.5439 20.8807 -33.047 -41.339 -109.752 22.032 -110.652 20.3784 TIMING: 1976200 CPU: 6320.57, 0.00316848/step Wall: 6320.57, 0.00316848/step, 2.66134 hours remaining, 231.769531 MB of memory in use. ENERGY: 1976200 4017.4878 20469.3724 14453.5631 239.2943 -203700.3369 2678.9741 0.0000 0.0000 52105.7810 -109735.8643 299.4526 -161841.6453 -109371.1493 298.7119 -36.9697 -14.6456 760806.1685 15.8672 15.7693 LDB: ============= START OF LOAD BALANCING ============== 6332.99 LDB: ============== END OF LOAD BALANCING =============== 6332.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6333 LDB: ============= START OF LOAD BALANCING ============== 6333.31 LDB: Largest compute 7030 load 0.031947 is 16.3% of average load 0.195470 LDB: Average compute 0.004399 is 2.3% of average load 0.195470 LDB: TIME 6333.31 LOAD: AVG 0.19547 MAX 0.216701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 6333.32 LOAD: AVG 0.19547 MAX 0.216701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: TIME 6333.32 LOAD: AVG 0.19547 MAX 0.216701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: ============== END OF LOAD BALANCING =============== 6333.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6333.32 PRESSURE: 1976400 -36.8214 201.35 -158.577 201.35 221.105 40.2554 -158.577 40.2543 -348.871 GPRESSURE: 1976400 88.3738 260.326 -108.408 242.985 141.47 -1.05685 -159.543 71.5574 -295.09 PRESSAVG: 1976400 44.1541 23.3441 -24.5624 23.344 -65.1214 -57.0781 -24.5624 -57.0781 -9.03298 GPRESSAVG: 1976400 44.5579 24.8195 -25.6285 21.5288 -66.2688 -55.7361 -24.6472 -55.5815 -7.92167 TIMING: 1976400 CPU: 6321.22, 0.0032312/step Wall: 6321.22, 0.0032312/step, 2.71385 hours remaining, 231.570312 MB of memory in use. ENERGY: 1976400 3985.0215 20605.3872 14440.1745 259.0634 -203142.9592 2367.6058 0.0000 0.0000 51938.2441 -109547.4627 298.4898 -161485.7068 -109182.7941 299.1471 -54.8627 -21.7490 760759.7341 -10.0001 -9.8775 PRESSURE: 1976600 268.716 29.8549 -207.425 29.8543 -14.4959 -19.3713 -207.426 -19.3728 425.857 GPRESSURE: 1976600 279.668 55.8461 -223.291 88.6673 61.2205 16.381 8.22347 -29.1575 410.953 PRESSAVG: 1976600 36.9186 -7.63988 12.7294 -7.63987 -36.6926 6.54167 12.7294 6.54163 5.60447 GPRESSAVG: 1976600 38.1127 -9.27498 14.5444 -4.84111 -36.2839 7.19366 12.1456 6.99226 4.10227 TIMING: 1976600 CPU: 6321.85, 0.00316708/step Wall: 6321.85, 0.00316708/step, 2.65982 hours remaining, 231.570312 MB of memory in use. ENERGY: 1976600 3890.7661 20436.2106 14543.9854 229.9643 -203551.2734 2704.3737 0.0000 0.0000 52039.4564 -109706.5169 299.0715 -161745.9733 -109350.4838 299.4112 226.6923 250.6138 759003.8728 1.9435 1.9770 PRESSURE: 1976800 293.151 -76.7124 -211.618 -76.7129 -125.361 -164.969 -211.618 -164.968 395.698 GPRESSURE: 1976800 286.104 -62.1442 -198.913 -16.0086 -98.3167 -55.3533 -127.87 -172.169 445.388 PRESSAVG: 1976800 7.31924 -46.027 -35.9805 -46.027 10.239 -57.4894 -35.9805 -57.4894 5.8818 GPRESSAVG: 1976800 5.65855 -45.2601 -36.5146 -46.7444 10.3914 -58.0735 -34.9315 -57.2048 7.34391 TIMING: 1976800 CPU: 6322.48, 0.00317655/step Wall: 6322.48, 0.00317655/step, 2.6676 hours remaining, 231.570312 MB of memory in use. ENERGY: 1976800 3920.3310 20476.6324 14520.7577 240.8317 -203976.6059 3078.4904 0.0000 0.0000 52257.5123 -109482.0503 300.3246 -161739.5626 -109121.2332 299.3668 187.8293 211.0585 760246.2558 7.8133 7.7980 PRESSURE: 1977000 -208.341 -64.4864 145.576 -64.4852 -193.825 -20.6501 145.576 -20.6498 -163.984 GPRESSURE: 1977000 -211.774 -68.8225 117.084 -51.6986 -169.987 -152.926 87.744 -64.1623 -89.3959 PRESSAVG: 1977000 -22.4334 -37.7171 0.369536 -37.7172 -32.4819 -3.8804 0.369583 -3.88032 22.2595 GPRESSAVG: 1977000 -20.922 -37.3299 0.690673 -38.09 -33.0669 -5.67107 -2.55854 -4.45397 21.2461 TIMING: 1977000 CPU: 6323.12, 0.00318851/step Wall: 6323.12, 0.00318851/step, 2.67746 hours remaining, 231.570312 MB of memory in use. ENERGY: 1977000 3943.0429 20446.0340 14516.2965 237.0968 -203263.9775 2479.7258 0.0000 0.0000 51806.0859 -109835.6956 297.7303 -161641.7815 -109481.3494 298.7193 -188.7166 -157.0524 760318.3186 -10.8853 -10.9142 PRESSURE: 1977200 -236.083 178.742 -0.801091 178.742 338.067 27.158 -0.801495 27.1589 194.823 GPRESSURE: 1977200 -115.883 159.37 11.3636 138.8 334.711 119.72 -60.5899 -42.8564 173.001 PRESSAVG: 1977200 7.96318 -2.67735 39.2412 -2.67731 -8.05484 -19.9797 39.2412 -19.9796 -1.06164 GPRESSAVG: 1977200 8.22757 -3.98074 37.7036 -1.31211 -9.34353 -18.7884 39.3654 -20.5412 -0.39688 TIMING: 1977200 CPU: 6323.76, 0.00318665/step Wall: 6323.76, 0.00318665/step, 2.67573 hours remaining, 231.570312 MB of memory in use. ENERGY: 1977200 4015.4695 20429.1920 14476.5690 232.2201 -203413.4848 2551.6759 0.0000 0.0000 51998.5669 -109709.7913 298.8365 -161708.3583 -109352.9793 298.8985 98.9355 130.6096 760603.4547 -0.3844 -0.5043 PRESSURE: 1977400 128.684 -80.6354 142.847 -80.6353 -150.01 -29.2701 142.846 -29.2699 284.302 GPRESSURE: 1977400 223.829 -209.861 6.59682 -123.676 -136.285 -83.6818 201.548 85.8772 277.359 PRESSAVG: 1977400 17.7537 1.46722 43.619 1.46731 -3.73173 -22.3356 43.619 -22.3357 -4.69047 GPRESSAVG: 1977400 16.4422 3.46434 43.9683 -0.276756 -2.12936 -21.5814 45.1202 -21.4461 -4.33833 TIMING: 1977400 CPU: 6324.39, 0.00317527/step Wall: 6324.39, 0.00317527/step, 2.66599 hours remaining, 231.570312 MB of memory in use. ENERGY: 1977400 3950.0600 20483.9745 14477.5652 231.6871 -203547.1870 2631.8520 0.0000 0.0000 52062.8708 -109709.1775 299.2060 -161772.0483 -109342.4839 299.0042 87.6584 121.6340 759989.4481 3.1105 3.3248 PRESSURE: 1977600 30.7379 62.7178 -56.358 62.719 217.408 -16.8634 -56.3577 -16.8638 306.295 GPRESSURE: 1977600 45.3636 111.068 -44.3008 201.938 270.829 -110.959 -84.7653 -62.1381 326.922 PRESSAVG: 1977600 10.5214 -8.54418 -6.17949 -8.54421 -50.2924 -11.7648 -6.17955 -11.7649 -11.9355 GPRESSAVG: 1977600 10.4271 -10.6641 -6.35879 -7.52156 -49.9574 -13.0611 -8.06432 -11.0565 -12.86 TIMING: 1977600 CPU: 6325.03, 0.00319414/step Wall: 6325.03, 0.00319414/step, 2.68166 hours remaining, 231.570312 MB of memory in use. ENERGY: 1977600 3941.4394 20531.2492 14507.6250 249.8951 -203188.8323 2479.3387 0.0000 0.0000 51947.9059 -109531.3788 298.5453 -161479.2848 -109166.4508 299.2375 184.8138 214.3713 759738.6820 -17.2355 -17.4634 PRESSURE: 1977800 477.71 -131.938 -68.3068 -131.938 170.617 39.8799 -68.3071 39.8812 -48.4679 GPRESSURE: 1977800 448.143 -16.7557 -71.7452 -148.814 328.893 34.4824 75.0779 128.562 -76.5829 PRESSAVG: 1977800 19.3995 -46.4969 -10.4461 -46.497 -6.81663 18.3291 -10.4461 18.3291 -3.11983 GPRESSAVG: 1977800 18.4459 -44.1993 -11.1674 -46.8735 -5.67203 18.2347 -6.04574 15.7501 -3.16856 TIMING: 1977800 CPU: 6325.67, 0.00316761/step Wall: 6325.67, 0.00316761/step, 2.65921 hours remaining, 231.570312 MB of memory in use. ENERGY: 1977800 3981.0837 20430.1005 14481.5471 238.8672 -203388.0930 2573.2097 0.0000 0.0000 51986.9550 -109696.3299 298.7697 -161683.2849 -109329.7372 298.8840 199.9532 233.4843 758806.3318 3.1544 3.2018 PRESSURE: 1978000 232.96 132.373 -129.277 132.373 56.0615 185.039 -129.277 185.039 170.083 GPRESSURE: 1978000 180.704 75.7906 -121.109 40.461 112.971 184.107 -56.5633 108.245 235.432 PRESSAVG: 1978000 34.0703 28.7721 30.9308 28.7721 -39.3826 39.6262 30.9309 39.6262 -12.6206 GPRESSAVG: 1978000 34.7566 25.4239 30.8101 29.5526 -41.5729 39.4479 27.8447 40.8611 -11.6812 TIMING: 1978000 CPU: 6326.3, 0.00315563/step Wall: 6326.3, 0.00315563/step, 2.64898 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1978000 3945.0587 20524.8841 14407.2922 264.6088 -203360.1840 2399.7275 0.0000 0.0000 52122.3773 -109696.2356 299.5480 -161818.6128 -109332.0714 298.7172 153.0348 176.3691 759474.3213 -5.9776 -6.1658 PRESSURE: 1978200 194.494 68.5 -6.87375 68.5001 -29.9437 26.3491 -6.87286 26.3487 94.6695 GPRESSURE: 1978200 181.827 21.33 16.8995 62.6102 144.334 -45.0545 -158.322 61.4217 25.9241 PRESSAVG: 1978200 76.2725 -14.752 -65.2006 -14.7521 -20.7624 23.9283 -65.2005 23.9282 13.0849 GPRESSAVG: 1978200 75.0847 -13.9789 -64.0205 -15.7504 -19.4513 22.8158 -65.8421 24.9287 12.8147 TIMING: 1978200 CPU: 6326.93, 0.00315643/step Wall: 6326.93, 0.00315643/step, 2.64947 hours remaining, 231.570312 MB of memory in use. ENERGY: 1978200 4017.7132 20430.4948 14486.3108 241.9763 -203257.9906 2335.0540 0.0000 0.0000 52148.7373 -109597.7042 299.6995 -161746.4415 -109217.7009 298.4471 86.4067 117.3618 760497.8996 22.8650 22.8160 PRESSURE: 1978400 -253.484 130.429 -206.632 130.429 -171.317 53.1095 -206.632 53.108 -91.6663 GPRESSURE: 1978400 -284.972 133.295 -118.696 2.3431 -145.105 67.4373 -142.219 -55.4493 -14.2158 PRESSAVG: 1978400 6.97322 3.05627 -68.1682 3.05633 -14.0071 10.1555 -68.1682 10.1555 2.04766 GPRESSAVG: 1978400 8.0076 4.81358 -65.8501 1.20643 -14.7109 11.9797 -68.1799 9.69983 2.09618 TIMING: 1978400 CPU: 6327.56, 0.0031625/step Wall: 6327.56, 0.0031625/step, 2.65439 hours remaining, 231.570312 MB of memory in use. ENERGY: 1978400 4042.4834 20757.5167 14476.9462 224.8683 -203450.2049 2396.5252 0.0000 0.0000 51976.7155 -109575.1496 298.7109 -161551.8651 -109218.9520 298.8238 -172.1557 -148.0976 760304.4189 -1.6621 -1.5357 PRESSURE: 1978600 -156.989 174.392 132.697 174.393 -188.85 -88.9018 132.697 -88.9022 392.543 GPRESSURE: 1978600 -65.8946 252.254 159.82 146.487 -99.6939 -139.373 203.511 -49.7194 285.854 PRESSAVG: 1978600 71.3476 16.0245 9.15449 16.0244 -1.97578 27.0243 9.15452 27.0243 1.13982 GPRESSAVG: 1978600 72.0696 14.9649 6.95491 16.9702 -2.0106 26.3763 10.7898 27.3272 0.397894 TIMING: 1978600 CPU: 6328.19, 0.00314035/step Wall: 6328.19, 0.00314035/step, 2.63563 hours remaining, 231.570312 MB of memory in use. ENERGY: 1978600 3986.9095 20463.9015 14401.4547 232.5095 -203534.2549 2619.4355 0.0000 0.0000 52237.8068 -109592.2373 300.2114 -161830.0441 -109219.0662 299.4953 15.5678 40.0886 761979.7233 23.5039 23.4856 PRESSURE: 1978800 -131.453 -214.277 -41.447 -214.277 -109.967 -30.1128 -41.4466 -30.1122 92.4759 GPRESSURE: 1978800 -77.6035 -137.031 11.4926 -76.6927 -53.7357 25.5276 4.64246 -128.726 65.2894 PRESSAVG: 1978800 24.7155 48.3879 2.92739 48.388 -42.9214 14.7039 2.9274 14.7039 -11.8176 GPRESSAVG: 1978800 23.5983 47.4379 3.13295 48.8506 -41.7451 16.3884 1.6626 11.8996 -11.7153 TIMING: 1978800 CPU: 6328.82, 0.00313545/step Wall: 6328.82, 0.00313545/step, 2.63134 hours remaining, 231.570312 MB of memory in use. ENERGY: 1978800 3979.1436 20339.7851 14491.8165 236.1652 -203536.3802 2794.7007 0.0000 0.0000 52177.5195 -109517.2497 299.8649 -161694.7691 -109146.0172 299.3385 -49.6481 -22.0166 762390.1383 -10.0078 -9.9540 PRESSURE: 1979000 211.373 53.7918 22.9728 53.792 210.687 -290.351 22.9738 -290.352 -285.551 GPRESSURE: 1979000 189.881 153.141 47.3051 80.7065 242.452 -273.694 -69.6727 -317.666 -204.671 PRESSAVG: 1979000 -12.7495 -17.1184 -6.88727 -17.1183 -22.509 15.5081 -6.88721 15.5082 14.167 GPRESSAVG: 1979000 -11.9765 -16.7771 -6.4197 -18.5048 -24.9282 14.2449 -6.36232 18.0141 15.8922 TIMING: 1979000 CPU: 6329.45, 0.00314992/step Wall: 6329.45, 0.00314992/step, 2.64331 hours remaining, 231.570312 MB of memory in use. ENERGY: 1979000 4036.6716 20575.9661 14499.3366 252.3660 -203647.8172 2765.9855 0.0000 0.0000 51877.0430 -109640.4483 298.1381 -161517.4913 -109276.0453 299.1101 45.5031 75.8870 760754.4769 -7.0305 -7.0042 PRESSURE: 1979200 -373.82 102.532 57.1007 102.531 -110.002 -148.537 57.1009 -148.537 -92.1278 GPRESSURE: 1979200 -295.256 140.841 87.0414 44.9881 -117.957 -171.436 55.6087 -118.82 -82.0614 PRESSAVG: 1979200 -5.71344 -29.6461 15.0102 -29.6462 -18.3901 -14.3108 15.0102 -14.3107 14.4751 GPRESSAVG: 1979200 -5.26107 -27.0033 15.7185 -30.1393 -16.77 -14.2274 13.1006 -16.6038 13.0446 TIMING: 1979200 CPU: 6330.08, 0.00314424/step Wall: 6330.08, 0.00314424/step, 2.63837 hours remaining, 231.570312 MB of memory in use. ENERGY: 1979200 4095.4718 20617.8634 14449.9479 238.6058 -203418.3882 2356.2557 0.0000 0.0000 52003.2256 -109657.0182 298.8633 -161660.2437 -109296.1099 299.0321 -191.9833 -165.0914 761359.4535 -3.2095 -2.9955 PRESSURE: 1979400 -58.1036 -63.1788 33.9772 -63.1788 157.483 98.3786 33.9772 98.3781 15.8754 GPRESSURE: 1979400 -41.6575 -123.071 -41.9224 -48.2957 233.563 100.213 142.72 71.7742 21.7316 PRESSAVG: 1979400 -52.3225 -87.2318 8.09723 -87.2318 41.7225 11.3676 8.09715 11.3676 -14.7116 GPRESSAVG: 1979400 -53.2104 -89.6091 7.74847 -85.4262 42.3059 10.5487 10.8843 13.8391 -14.9604 TIMING: 1979400 CPU: 6330.71, 0.00315348/step Wall: 6330.71, 0.00315348/step, 2.64594 hours remaining, 231.570312 MB of memory in use. ENERGY: 1979400 3969.5608 20630.2005 14506.4529 252.3920 -203684.5814 2592.5999 0.0000 0.0000 52039.6524 -109693.7228 299.0726 -161733.3752 -109339.1837 299.3644 38.4181 71.2125 761991.4483 -8.4372 -8.6216 PRESSURE: 1979600 -79.1636 51.596 104.397 51.5953 -481.632 -72.3177 104.397 -72.317 -417.908 GPRESSURE: 1979600 -68.5926 -49.3761 81.2605 147.846 -392.354 1.79028 223.215 -260.709 -444.904 PRESSAVG: 1979600 -28.7303 -25.7299 32.6143 -25.7299 5.66403 -2.18625 32.6143 -2.18628 -14.4035 GPRESSAVG: 1979600 -28.1283 -26.9845 32.586 -25.8254 5.41497 -0.746272 30.7679 -3.4341 -13.8144 TIMING: 1979600 CPU: 6331.34, 0.00317088/step Wall: 6331.34, 0.00317088/step, 2.66037 hours remaining, 231.570312 MB of memory in use. ENERGY: 1979600 4053.2184 20454.6154 14444.0211 230.9796 -203661.6478 2578.3461 0.0000 0.0000 52184.9075 -109715.5597 299.9074 -161900.4672 -109363.3265 299.1594 -326.2345 -301.9501 762562.6966 -12.4899 -12.1759 PRESSURE: 1979800 115.254 79.2378 46.6911 79.2387 73.9416 -77.0185 46.6905 -77.0177 277.469 GPRESSURE: 1979800 87.2009 -1.34148 134.29 147.754 171.629 -92.3952 41.3012 -41.2048 301.683 PRESSAVG: 1979800 43.0339 -46.1274 66.9684 -46.1274 -52.7419 -16.8681 66.9684 -16.8681 1.3414 GPRESSAVG: 1979800 42.2279 -44.1331 66.5057 -45.8298 -52.4044 -16.1945 64.3673 -16.7137 1.4906 TIMING: 1979800 CPU: 6331.97, 0.003133/step Wall: 6331.97, 0.003133/step, 2.62842 hours remaining, 231.570312 MB of memory in use. ENERGY: 1979800 4040.1089 20599.1313 14477.4015 240.7152 -203678.3957 2664.3001 0.0000 0.0000 52090.8144 -109565.9243 299.3666 -161656.7387 -109210.5715 298.9973 155.5548 186.8377 759713.4521 -2.7889 -2.8953 PRESSURE: 1980000 222.624 -1.65758 62.047 -1.65806 193.671 -67.247 62.0458 -67.2474 69.5836 GPRESSURE: 1980000 271.704 -115.901 89.5448 57.7051 202.234 -96.3514 30.2477 -134.998 81.5558 PRESSAVG: 1980000 30.8881 -25.457 -3.63412 -25.457 -61.9038 4.26087 -3.63411 4.26077 6.8291 GPRESSAVG: 1980000 31.2155 -27.5672 -3.328 -24.9396 -62.9323 2.95729 -0.899873 4.75072 7.81453 TIMING: 1980000 CPU: 6332.6, 0.00314379/step Wall: 6332.6, 0.00314379/step, 2.63729 hours remaining, 231.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1980000 4075.2706 20594.1428 14503.3481 257.1477 -203516.7083 2638.5943 0.0000 0.0000 51994.6683 -109453.5366 298.8141 -161448.2049 -109102.1698 299.1426 161.9595 185.1646 759357.2211 -8.0622 -7.9674 PRESSURE: 1980200 -31.3225 13.9262 135.089 13.927 -283.745 -81.7275 135.089 -81.7274 -79.5115 GPRESSURE: 1980200 -69.0137 11.874 141.719 -66.914 -124.251 -31.016 116.143 -186.606 -113.827 PRESSAVG: 1980200 21.7458 -59.8098 -10.2139 -59.8098 -54.2105 -49.251 -10.2138 -49.251 -12.8362 GPRESSAVG: 1980200 22.7703 -58.7499 -8.4443 -59.3005 -54.9314 -48.3729 -10.7168 -50.0096 -13.8223 TIMING: 1980200 CPU: 6333.23, 0.00315277/step Wall: 6333.23, 0.00315277/step, 2.64465 hours remaining, 231.570312 MB of memory in use. ENERGY: 1980200 4047.6617 20537.9554 14458.2146 250.5253 -203116.6669 2272.3453 0.0000 0.0000 51996.3577 -109553.6071 298.8238 -161549.9648 -109176.7865 299.1900 -131.5263 -102.3640 760078.1680 -15.1003 -15.3278 LDB: ============= START OF LOAD BALANCING ============== 6345.65 LDB: ============== END OF LOAD BALANCING =============== 6345.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6345.65 LDB: ============= START OF LOAD BALANCING ============== 6345.97 LDB: Largest compute 7078 load 0.032907 is 16.8% of average load 0.195505 LDB: Average compute 0.004400 is 2.3% of average load 0.195505 LDB: TIME 6345.97 LOAD: AVG 0.195505 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.602 MB LDB: TIME 6345.97 LOAD: AVG 0.195505 MAX 0.214345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.695 MB LDB: TIME 6345.97 LOAD: AVG 0.195505 MAX 0.214345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.695 MB LDB: ============== END OF LOAD BALANCING =============== 6345.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6345.98 PRESSURE: 1980400 222.534 -132.286 -106.228 -132.286 203.03 -116.9 -106.228 -116.899 -228.786 GPRESSURE: 1980400 157.281 -139.312 -80.5969 -148.538 305.266 -40.6067 -46.297 -147.872 -177.837 PRESSAVG: 1980400 40.5965 -24.3725 32.7469 -24.3726 13.1828 5.38817 32.7469 5.38817 23.6638 GPRESSAVG: 1980400 39.0271 -24.6369 31.7517 -26.0444 13.2344 4.16455 33.1866 6.59766 24.8398 TIMING: 1980400 CPU: 6333.87, 0.00323396/step Wall: 6333.87, 0.00323396/step, 2.71257 hours remaining, 232.140625 MB of memory in use. ENERGY: 1980400 4021.1970 20654.9851 14398.8005 239.7827 -203536.4333 2444.4831 0.0000 0.0000 52343.1196 -109434.0653 300.8166 -161777.1850 -109068.3438 299.2437 65.5928 94.9035 758818.6187 25.8144 25.7004 PRESSURE: 1980600 -0.151109 174.518 -356.416 174.518 -13.7698 -126.751 -356.417 -126.751 -371.074 GPRESSURE: 1980600 80.9441 293.984 -356.825 100.781 -43.4354 -199.436 -338.302 -71.2488 -332.699 PRESSAVG: 1980600 -22.0836 -96.6312 -17.8421 -96.6312 29.4995 0.44568 -17.8421 0.44562 5.10517 GPRESSAVG: 1980600 -21.544 -95.7385 -18.6431 -95.5798 29.9803 2.95101 -18.2713 -1.17972 4.45388 TIMING: 1980600 CPU: 6334.51, 0.00316639/step Wall: 6334.51, 0.00316639/step, 2.65572 hours remaining, 232.406250 MB of memory in use. ENERGY: 1980600 4075.0642 20526.1459 14439.5753 266.0661 -203163.4338 2418.8683 0.0000 0.0000 52105.5020 -109332.2120 299.4510 -161437.7140 -108966.5004 300.4227 -128.3316 -98.3967 759876.5863 4.1737 4.2967 PRESSURE: 1980800 -92.1436 -74.0373 36.4553 -74.0374 173.059 -34.7961 36.4546 -34.7958 158.173 GPRESSURE: 1980800 -51.3101 -60.1923 64.3593 -50.5986 162.995 -159.28 127.907 -59.9779 243.848 PRESSAVG: 1980800 44.0131 -25.1881 -30.5729 -25.1881 -15.2558 17.2866 -30.5729 17.2866 -15.1499 GPRESSAVG: 1980800 44.2032 -23.6214 -30.9792 -27.5427 -15.0492 16.977 -30.4707 19.6177 -15.4681 TIMING: 1980800 CPU: 6335.14, 0.00315024/step Wall: 6335.14, 0.00315024/step, 2.642 hours remaining, 232.406250 MB of memory in use. ENERGY: 1980800 4023.9376 20625.5411 14510.4000 228.3209 -203021.9113 2372.8023 0.0000 0.0000 51955.0068 -109305.9027 298.5861 -161260.9095 -108948.7878 299.9662 79.6963 118.5110 759620.6926 4.5358 4.5620 PRESSURE: 1981000 -176.063 15.5279 -11.3486 15.5286 -271.085 -24.0703 -11.3488 -24.0695 -2.8643 GPRESSURE: 1981000 -166.88 -53.9407 -7.48321 81.6847 -221.053 -24.4993 -93.6239 -107.043 11.2179 PRESSAVG: 1981000 33.596 -33.4962 4.88414 -33.4962 -26.096 -4.0131 4.88412 -4.01309 16.1632 GPRESSAVG: 1981000 33.1268 -35.3304 5.47361 -32.7776 -27.534 -6.63542 5.36137 -5.79812 17.8017 TIMING: 1981000 CPU: 6335.77, 0.00315247/step Wall: 6335.77, 0.00315247/step, 2.6437 hours remaining, 232.406250 MB of memory in use. ENERGY: 1981000 3981.3063 20663.2304 14564.8905 218.0883 -203206.5852 2328.2345 0.0000 0.0000 52179.4594 -109271.3758 299.8761 -161450.8352 -108912.7129 300.1176 -150.0043 -125.5715 758832.5743 7.8877 7.7982 PRESSURE: 1981200 -48.2826 -69.2168 94.4462 -69.2169 530.348 49.5242 94.4469 49.5239 -448.535 GPRESSURE: 1981200 7.84719 -50.8017 140.491 -145.046 506.658 -13.9329 42.6755 1.17392 -381.185 PRESSAVG: 1981200 -18.9941 -79.4682 -3.21512 -79.4682 -6.15334 -71.0224 -3.21514 -71.0223 1.79531 GPRESSAVG: 1981200 -16.3824 -78.0612 -2.57989 -79.6392 -6.20154 -70.228 -4.76279 -70.2068 -1.39537 TIMING: 1981200 CPU: 6336.4, 0.0031658/step Wall: 6336.4, 0.0031658/step, 2.6547 hours remaining, 232.406250 MB of memory in use. ENERGY: 1981200 3995.1108 20582.1779 14478.3772 249.3164 -203134.0716 2594.1877 0.0000 0.0000 52049.2672 -109185.6344 299.1279 -161234.9016 -108819.4387 299.9761 11.1766 44.4398 759960.7368 -7.7840 -7.9931 PRESSURE: 1981400 -240.867 -22.6792 -125.293 -22.6793 -325.699 228.48 -125.293 228.48 143.058 GPRESSURE: 1981400 -148.507 45.5201 -57.1155 -40.2662 -265.563 169.547 52.4881 143.928 88.9143 PRESSAVG: 1981400 32.1498 9.27311 -20.8493 9.2731 1.09776 -8.80519 -20.8493 -8.80523 -15.6546 GPRESSAVG: 1981400 30.9112 8.58272 -22.4681 10.8822 2.48061 -10.1943 -17.9048 -7.72391 -15.3808 TIMING: 1981400 CPU: 6337.03, 0.0031521/step Wall: 6337.03, 0.0031521/step, 2.64303 hours remaining, 232.605469 MB of memory in use. ENERGY: 1981400 4024.7850 20534.5441 14487.0226 244.7620 -203145.7678 2371.9199 0.0000 0.0000 52111.1107 -109371.6234 299.4833 -161482.7342 -108999.6432 299.3913 -141.1693 -108.3854 760967.9305 5.8643 6.0037 PRESSURE: 1981600 201.552 12.1409 -48.7975 12.1415 319.754 101.283 -48.7967 101.283 248.221 GPRESSURE: 1981600 266.989 -120.608 -69.5943 -20.2122 313.949 132.379 -132.485 33.0324 275.509 PRESSAVG: 1981600 22.0842 -14.2199 11.5077 -14.2199 -44.4214 -48.0082 11.5078 -48.0083 12.573 GPRESSAVG: 1981600 20.3629 -13.5077 12.417 -14.6594 -44.2946 -46.4805 9.06457 -51.4153 14.3098 TIMING: 1981600 CPU: 6337.66, 0.00315396/step Wall: 6337.66, 0.00315396/step, 2.64442 hours remaining, 232.605469 MB of memory in use. ENERGY: 1981600 3934.1617 20593.9331 14503.4608 240.3891 -203443.5087 2751.5806 0.0000 0.0000 51920.5256 -109499.4578 298.3880 -161419.9834 -109128.6708 299.4968 256.5089 285.4823 759871.6863 -3.2547 -3.2073 PRESSURE: 1981800 97.993 19.077 23.5271 19.0776 109.355 126.316 23.527 126.315 25.3275 GPRESSURE: 1981800 114.994 58.6627 32.5479 76.7859 119.93 120.447 105.638 67.047 76.9821 PRESSAVG: 1981800 32.4568 1.90179 8.60669 1.90178 -23.3568 -44.1072 8.60671 -44.1073 -5.95007 GPRESSAVG: 1981800 32.7686 1.20385 9.65637 2.57086 -23.7176 -42.9116 7.72079 -43.8975 -6.00775 TIMING: 1981800 CPU: 6338.29, 0.00313906/step Wall: 6338.29, 0.00313906/step, 2.63175 hours remaining, 232.605469 MB of memory in use. ENERGY: 1981800 4029.7553 20657.5200 14501.4374 254.1694 -203359.4040 2466.8544 0.0000 0.0000 52006.2850 -109443.3824 298.8808 -161449.6674 -109091.6023 299.4366 77.5584 103.9688 759707.2113 1.0500 1.0144 PRESSURE: 1982000 -46.0562 94.604 -95.2957 94.6035 -206.136 -210.942 -95.2961 -210.943 -462.809 GPRESSURE: 1982000 -38.7499 179.619 70.3421 -65.0226 -176.198 -201.082 -177.551 -141.205 -403.744 PRESSAVG: 1982000 24.5654 38.4077 -26.5152 38.4076 -15.9048 -32.3875 -26.5152 -32.3875 -3.28045 GPRESSAVG: 1982000 23.5658 39.315 -27.6328 39.3375 -15.4822 -33.2518 -24.7482 -31.309 -3.44113 TIMING: 1982000 CPU: 6338.92, 0.00314012/step Wall: 6338.92, 0.00314012/step, 2.63247 hours remaining, 232.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1982000 4070.9413 20481.9376 14493.8355 259.8419 -203371.2740 2628.1473 0.0000 0.0000 52077.6861 -109358.8843 299.2912 -161436.5704 -108996.7012 299.1316 -238.3336 -206.2305 762437.4013 1.7934 1.5475 PRESSURE: 1982200 -63.7576 153.32 -184.96 153.32 93.4598 154.864 -184.96 154.865 -103.29 GPRESSURE: 1982200 -29.5366 101.568 -174.113 167.248 105.319 129.421 -183.357 152.802 -61.3991 PRESSAVG: 1982200 9.14203 -46.3306 -31.123 -46.3306 -33.5196 -37.2343 -31.123 -37.2344 3.34396 GPRESSAVG: 1982200 8.9914 -48.277 -31.2351 -46.9164 -33.5044 -37.7301 -30.7257 -36.2719 3.27391 TIMING: 1982200 CPU: 6339.54, 0.00312628/step Wall: 6339.54, 0.00312628/step, 2.62069 hours remaining, 232.605469 MB of memory in use. ENERGY: 1982200 4038.7081 20472.5004 14528.1123 228.1687 -203196.1624 2670.6741 0.0000 0.0000 52082.5308 -109175.4679 299.3190 -161257.9987 -108816.9052 299.3271 -24.5292 4.7943 762241.0915 -7.0112 -7.0797 PRESSURE: 1982400 -311.894 3.19328 -74.5265 3.19384 -193.445 -66.5052 -74.5267 -66.5062 215.066 GPRESSURE: 1982400 -261.689 -89.4066 -35.0317 -50.3612 -135.569 -105.131 -58.183 -117.084 189.953 PRESSAVG: 1982400 2.1456 -30.2395 -2.65685 -30.2395 -1.00198 0.779975 -2.65686 0.779886 -14.4419 GPRESSAVG: 1982400 3.66725 -28.995 -1.7101 -30.3507 -2.78605 -0.125531 -2.51285 1.38985 -13.7803 TIMING: 1982400 CPU: 6340.17, 0.00312818/step Wall: 6340.17, 0.00312818/step, 2.62211 hours remaining, 232.605469 MB of memory in use. ENERGY: 1982400 4035.8481 20590.4779 14523.5192 238.2524 -202638.5776 2124.4499 0.0000 0.0000 51771.6157 -109354.4144 297.5322 -161126.0301 -108998.9658 299.4792 -96.7577 -69.1018 761874.4804 -4.4327 -4.2997 PRESSURE: 1982600 77.1529 -63.0146 25.3878 -63.0155 -107.836 -54.4246 25.3868 -54.4244 338.576 GPRESSURE: 1982600 63.4465 -33.6324 29.0082 -142.309 -13.8823 58.691 28.5538 -60.4121 344.181 PRESSAVG: 1982600 11.7673 -38.1044 -48.7734 -38.1044 1.07577 -16.5524 -48.7735 -16.5524 -12.2233 GPRESSAVG: 1982600 11.7528 -35.8549 -49.5827 -39.5076 2.70625 -15.0232 -50.5987 -16.5594 -13.5866 TIMING: 1982600 CPU: 6340.8, 0.00315263/step Wall: 6340.8, 0.00315263/step, 2.64243 hours remaining, 232.605469 MB of memory in use. ENERGY: 1982600 4028.6360 20562.5189 14541.5024 240.4784 -203555.3480 2847.1109 0.0000 0.0000 52228.5169 -109106.5847 300.1580 -161335.1016 -108742.4714 299.3794 102.6309 131.2483 761325.9728 0.2066 0.2908 PRESSURE: 1982800 348.46 -153.233 -199.73 -153.234 -28.3026 67.8463 -199.73 67.8469 -52.1788 GPRESSURE: 1982800 254.297 -141.926 -241.987 40.6437 54.3296 10.1132 -170.377 138.215 54.872 PRESSAVG: 1982800 28.8094 -44.4065 -31.0138 -44.4065 34.9065 -19.3768 -31.0137 -19.3769 -11.2243 GPRESSAVG: 1982800 28.2176 -44.1706 -31.532 -42.7512 34.2563 -20.8942 -28.8201 -19.2636 -9.76638 TIMING: 1982800 CPU: 6341.43, 0.00314994/step Wall: 6341.43, 0.00314994/step, 2.64 hours remaining, 232.605469 MB of memory in use. ENERGY: 1982800 3995.6641 20679.9367 14486.9028 237.0711 -202921.3262 2388.2110 0.0000 0.0000 52100.3736 -109033.1669 299.4216 -161133.5406 -108671.8168 300.2858 89.3261 121.1661 761980.7243 17.4972 17.5692 PRESSURE: 1983000 -138.963 39.7557 11.6221 39.7554 259.775 -34.1656 11.6211 -34.1653 -131.049 GPRESSURE: 1983000 -39.1185 -74.1656 -4.09215 -41.3897 239.647 -57.4913 -38.1094 -26.3412 -115.497 PRESSAVG: 1983000 -17.787 -46.7755 0.366322 -46.7755 56.4226 19.8224 0.366259 19.8225 8.70415 GPRESSAVG: 1983000 -16.2272 -49.494 0.752952 -47.1673 55.9352 21.7234 -0.469257 18.6379 7.45071 TIMING: 1983000 CPU: 6342.06, 0.00313957/step Wall: 6342.06, 0.00313957/step, 2.63113 hours remaining, 232.605469 MB of memory in use. ENERGY: 1983000 3966.2195 20447.8965 14474.7725 244.6000 -203405.2027 2601.8323 0.0000 0.0000 52326.1586 -109343.7233 300.7192 -161669.8818 -108974.6303 299.8420 -3.4122 28.3437 760944.8385 15.7799 15.7196 PRESSURE: 1983200 -464.802 163.663 78.7388 163.663 -245.168 117.607 78.7391 117.607 -162.983 GPRESSURE: 1983200 -408.016 117.11 88.4853 103.02 -127.295 125.753 -1.38566 206.859 -226.294 PRESSAVG: 1983200 -10.6931 -33.6308 20.3014 -33.6308 50.0073 -23.8866 20.3014 -23.8867 -27.4152 GPRESSAVG: 1983200 -11.1045 -34.337 21.4931 -33.8955 50.4822 -25.0107 18.976 -22.3982 -27.0074 TIMING: 1983200 CPU: 6342.69, 0.00314903/step Wall: 6342.69, 0.00314903/step, 2.63889 hours remaining, 232.605469 MB of memory in use. ENERGY: 1983200 4026.1911 20482.3360 14507.0933 236.8953 -202861.4306 1999.6635 0.0000 0.0000 52188.4494 -109420.8021 299.9277 -161609.2515 -109060.9004 299.4450 -290.9845 -253.8682 762110.7863 3.9663 4.1234 PRESSURE: 1983400 -45.6236 84.5295 45.85 84.5294 -71.0794 -231.754 45.8497 -231.754 -107.925 GPRESSURE: 1983400 -3.70705 62.4225 93.4629 118.126 -68.3695 -285.705 -52.0574 -100.435 -69.5386 PRESSAVG: 1983400 -19.1433 -15.931 -0.80787 -15.931 -6.58292 -7.13207 -0.807941 -7.13209 -1.06442 GPRESSAVG: 1983400 -19.4886 -13.6454 -1.73709 -15.6753 -6.74518 -9.09851 0.610093 -6.19795 -1.00172 TIMING: 1983400 CPU: 6343.31, 0.00313294/step Wall: 6343.31, 0.00313294/step, 2.62523 hours remaining, 232.605469 MB of memory in use. ENERGY: 1983400 3993.3123 20504.1037 14428.0050 266.1274 -203188.1854 2402.2292 0.0000 0.0000 52138.1197 -109456.2880 299.6385 -161594.4078 -109089.6767 299.4873 -74.8759 -47.2051 760934.8919 -8.9302 -9.0785 PRESSURE: 1983600 -75.0363 -36.6019 211.324 -36.6026 53.3161 -166.786 211.325 -166.786 -192.1 GPRESSURE: 1983600 9.33439 52.0006 245.355 33.5416 50.7027 -104.568 77.5434 -329.589 -200.688 PRESSAVG: 1983600 -49.4464 -59.7999 4.37721 -59.7999 47.6303 -19.5377 4.37729 -19.5377 16.6697 GPRESSAVG: 1983600 -48.63 -61.2843 4.0857 -60.4424 47.8206 -19.4204 3.70468 -21.4875 15.6789 TIMING: 1983600 CPU: 6343.94, 0.00314711/step Wall: 6343.94, 0.00314711/step, 2.63693 hours remaining, 232.605469 MB of memory in use. ENERGY: 1983600 3984.3334 20583.9567 14493.5487 254.5611 -203128.3627 2235.9040 0.0000 0.0000 52240.3311 -109335.7276 300.2259 -161576.0587 -108963.0875 299.3444 -71.2735 -46.8836 760611.1426 4.9512 4.9565 PRESSURE: 1983800 107.63 52.0015 -86.1083 52.0011 67.1436 106.231 -86.1084 106.231 -358.637 GPRESSURE: 1983800 106.333 50.0266 -126.28 -0.32802 60.6006 91.6637 -119.636 -20.2308 -273.608 PRESSAVG: 1983800 18.3326 -16.2951 -20.1803 -16.2951 -12.9071 7.622 -20.1802 7.62204 31.3805 GPRESSAVG: 1983800 17.7254 -15.1037 -19.6018 -15.533 -11.9024 7.65975 -18.1311 8.57993 31.0798 TIMING: 1983800 CPU: 6344.57, 0.00313634/step Wall: 6344.57, 0.00313634/step, 2.62773 hours remaining, 232.605469 MB of memory in use. ENERGY: 1983800 3954.2533 20494.5188 14491.1339 260.6328 -203319.4777 2431.6849 0.0000 0.0000 52047.7713 -109639.4827 299.1193 -161687.2540 -109277.4889 299.3712 -61.2877 -35.5580 759462.9683 12.2686 12.3010 PRESSURE: 1984000 -346.914 -0.400556 392.879 -0.399924 34.3147 -206.895 392.878 -206.894 100.307 GPRESSURE: 1984000 -336.172 -4.14436 396.336 -57.2489 25.1102 -193.782 424.427 -247.136 179.357 PRESSAVG: 1984000 14.5051 -43.5154 71.8797 -43.5154 -20.0757 -49.7187 71.8797 -49.7186 -2.22786 GPRESSAVG: 1984000 12.7742 -43.1062 72.8706 -44.015 -20.8704 -48.2153 71.9215 -51.0818 -0.525856 TIMING: 1984000 CPU: 6345.2, 0.00315414/step Wall: 6345.2, 0.00315414/step, 2.64247 hours remaining, 232.605469 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: 1984000 3958.2874 20375.5287 14455.9281 249.1388 -202715.3885 2187.3355 0.0000 0.0000 51726.7461 -109762.4240 297.2743 -161489.1701 -109401.6135 298.2841 -70.7639 -43.9019 762645.9725 -2.5995 -2.8740 PRESSURE: 1984200 181.536 -104.327 84.6196 -104.326 16.6797 -44.4231 84.6195 -44.4232 -47.2869 GPRESSURE: 1984200 191.078 -57.9768 88.1396 -63.4951 59.6988 -5.04697 51.1085 -80.5483 14.1834 PRESSAVG: 1984200 17.4127 -55.8885 10.8391 -55.8885 -69.0222 30.5498 10.8391 30.5498 1.90204 GPRESSAVG: 1984200 17.9184 -57.1162 10.5512 -54.3219 -69.0809 30.3992 10.9675 30.4922 1.57705 TIMING: 1984200 CPU: 6345.83, 0.00314174/step Wall: 6345.83, 0.00314174/step, 2.6319 hours remaining, 232.605469 MB of memory in use. ENERGY: 1984200 3959.6223 20416.0909 14502.7127 233.7590 -203227.1505 2504.8957 0.0000 0.0000 51900.6462 -109709.4238 298.2737 -161610.0700 -109352.6226 298.8941 50.3095 88.3200 760301.7513 -16.5691 -16.5285 LDB: ============= START OF LOAD BALANCING ============== 6358.25 LDB: ============== END OF LOAD BALANCING =============== 6358.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.25 LDB: ============= START OF LOAD BALANCING ============== 6358.57 LDB: Largest compute 7033 load 0.035576 is 18.2% of average load 0.195412 LDB: Average compute 0.004419 is 2.3% of average load 0.195412 LDB: TIME 6358.57 LOAD: AVG 0.195412 MAX 0.212402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.289 MB LDB: TIME 6358.57 LOAD: AVG 0.195412 MAX 0.212402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.492 MB LDB: TIME 6358.57 LOAD: AVG 0.195412 MAX 0.212402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.492 MB LDB: ============== END OF LOAD BALANCING =============== 6358.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.58 PRESSURE: 1984400 189.223 3.60436 -78.8102 3.60468 -21.4986 -154.132 -78.8102 -154.132 -288.007 GPRESSURE: 1984400 153.288 136.599 -169.262 17.4794 86.5906 -124.144 55.3286 -61.6812 -267.531 PRESSAVG: 1984400 55.6875 -40.2401 48.3734 -40.24 -87.1871 20.5288 48.3735 20.5289 -20.7919 GPRESSAVG: 1984400 55.7683 -38.1782 48.1603 -42.0347 -86.3826 20.3108 45.7927 19.3834 -21.4861 TIMING: 1984400 CPU: 6346.47, 0.00322224/step Wall: 6346.47, 0.00322224/step, 2.69916 hours remaining, 232.082031 MB of memory in use. ENERGY: 1984400 4052.8690 20408.6314 14468.1283 255.8921 -203488.2092 2595.5799 0.0000 0.0000 51945.8582 -109761.2504 298.5336 -161707.1086 -109406.6912 298.8438 -40.0944 -9.2177 759041.1586 -17.4305 -17.3668 PRESSURE: 1984600 -295.99 10.5553 26.4611 10.5545 308.028 -95.2083 26.461 -95.2082 90.4329 GPRESSURE: 1984600 -227.852 -9.63834 5.51312 32.0738 332.968 -59.0823 -62.0599 -168.179 87.2741 PRESSAVG: 1984600 5.67784 -38.6839 52.7669 -38.6838 25.097 -25.3316 52.7669 -25.3316 -16.3863 GPRESSAVG: 1984600 5.4946 -41.0003 50.9595 -36.9293 24.5056 -25.6031 55.3878 -23.6223 -15.9337 TIMING: 1984600 CPU: 6347.1, 0.00315125/step Wall: 6347.1, 0.00315125/step, 2.63952 hours remaining, 232.082031 MB of memory in use. ENERGY: 1984600 3984.2724 20386.0962 14412.5036 250.5948 -203370.1838 2509.3929 0.0000 0.0000 52100.7175 -109726.6063 299.4235 -161827.3239 -109357.5229 298.9943 34.1572 64.1299 761167.2673 4.7962 4.6888 PRESSURE: 1984800 121.421 -62.1944 -156.372 -62.1947 74.9485 96.5828 -156.372 96.5819 -71.1086 GPRESSURE: 1984800 101.766 -29.3842 -211.656 20.9744 111.507 192.828 -44.4475 47.1069 -7.49236 PRESSAVG: 1984800 -38.5283 -34.9952 -16.6106 -34.9953 1.21863 61.4243 -16.6106 61.4243 5.12845 GPRESSAVG: 1984800 -37.7065 -34.3043 -14.4952 -36.048 1.21322 60.6424 -17.4533 60.437 4.3028 TIMING: 1984800 CPU: 6347.74, 0.0031553/step Wall: 6347.74, 0.0031553/step, 2.64274 hours remaining, 232.082031 MB of memory in use. ENERGY: 1984800 3985.9223 20359.9945 14459.4148 269.0520 -203357.7745 2402.9401 0.0000 0.0000 52134.0538 -109746.3970 299.6151 -161880.4508 -109381.3682 298.9270 41.7537 68.5936 760405.1968 -10.7271 -10.7302 PRESSURE: 1985000 15.5745 -110.781 176.238 -110.781 -425.266 -124.306 176.238 -124.305 148.771 GPRESSURE: 1985000 83.1213 -58.5863 212.057 -168.856 -304.297 -168.691 190.659 -190.827 61.6142 PRESSAVG: 1985000 37.2866 -54.3273 -21.0937 -54.3273 -6.94702 19.3142 -21.0937 19.3141 0.193001 GPRESSAVG: 1985000 36.242 -54.7254 -21.9802 -52.4776 -5.58535 19.5187 -21.3967 20.6996 -0.167422 TIMING: 1985000 CPU: 6348.37, 0.00315291/step Wall: 6348.37, 0.00315291/step, 2.64056 hours remaining, 232.136719 MB of memory in use. ENERGY: 1985000 3985.6724 20562.1915 14445.0936 231.8184 -202769.3947 2159.4686 0.0000 0.0000 51845.3833 -109539.7670 297.9561 -161385.1503 -109177.2790 299.5436 -86.9735 -53.1870 758727.5718 10.1775 10.1631 PRESSURE: 1985200 375.483 -56.9045 62.1754 -56.9034 11.7193 -42.4833 62.1749 -42.482 295.548 GPRESSURE: 1985200 446.543 -74.844 126.062 -60.4721 14.2567 -56.566 -71.7164 64.85 319.526 PRESSAVG: 1985200 73.2972 2.6339 63.1788 2.63391 -26.2396 -38.7871 63.1788 -38.787 -19.9927 GPRESSAVG: 1985200 73.8306 1.66356 63.5704 1.4525 -26.9737 -38.8989 63.1335 -38.5214 -20.0486 TIMING: 1985200 CPU: 6349, 0.00315898/step Wall: 6349, 0.00315898/step, 2.64547 hours remaining, 232.339844 MB of memory in use. ENERGY: 1985200 3946.4491 20459.7234 14408.4917 231.6016 -202969.6693 2443.2417 0.0000 0.0000 51665.1521 -109815.0096 296.9203 -161480.1617 -109458.1016 298.7769 227.5836 260.1084 758753.3595 9.0216 8.9361 PRESSURE: 1985400 -129.421 38.2716 164.565 38.2712 -14.0578 85.6748 164.566 85.675 -330.307 GPRESSURE: 1985400 -67.6246 86.4135 117.403 -36.8398 -45.2424 53.5702 139.95 73.181 -270.382 PRESSAVG: 1985400 -5.09727 -34.6628 81.9866 -34.6628 -8.81717 -14.6946 81.9866 -14.6945 -6.69514 GPRESSAVG: 1985400 -4.67206 -32.8806 81.947 -35.3746 -9.5974 -14.5857 81.3708 -15.8326 -6.2823 TIMING: 1985400 CPU: 6349.63, 0.00316571/step Wall: 6349.63, 0.00316571/step, 2.65093 hours remaining, 232.339844 MB of memory in use. ENERGY: 1985400 4050.8235 20524.9579 14467.9920 236.3304 -203639.9461 2835.2388 0.0000 0.0000 51979.6612 -109544.9423 298.7278 -161524.6035 -109196.6907 299.0808 -157.9286 -127.7496 760458.5810 -6.8699 -6.8506 PRESSURE: 1985600 -216.117 -68.0211 122.977 -68.0222 -12.9201 113.301 122.976 113.301 -495.822 GPRESSURE: 1985600 -161.69 -77.7587 113.214 -108.003 -31.5651 52.7371 67.0013 118.196 -441.715 PRESSAVG: 1985600 -16.1852 12.9796 11.1566 12.9796 15.5867 24.2359 11.1566 24.2359 -3.13957 GPRESSAVG: 1985600 -17.0238 11.1893 11.3444 12.5382 15.508 25.0709 11.0849 23.3926 -2.47655 TIMING: 1985600 CPU: 6350.26, 0.00314561/step Wall: 6350.26, 0.00314561/step, 2.63393 hours remaining, 232.480469 MB of memory in use. ENERGY: 1985600 3925.7842 20534.0942 14434.0480 246.5193 -203285.1412 2464.8133 0.0000 0.0000 52083.4060 -109596.4762 299.3241 -161679.8822 -109239.1141 299.5068 -241.6197 -211.6567 761178.7142 -1.2460 -1.3308 PRESSURE: 1985800 -55.2293 -79.4492 190.357 -79.4486 -206.009 44.6302 190.356 44.6295 91.4743 GPRESSURE: 1985800 -56.9471 27.446 231.186 -46.0234 -74.6664 -19.9489 249.3 115.08 52.2811 PRESSAVG: 1985800 -10.8318 18.8364 27.9566 18.8365 -46.4852 -2.17156 27.9566 -2.17157 12.8506 GPRESSAVG: 1985800 -8.43463 19.8146 28.098 19.3809 -46.3828 -3.56892 27.4188 -1.6907 10.6668 TIMING: 1985800 CPU: 6350.89, 0.00314739/step Wall: 6350.89, 0.00314739/step, 2.63524 hours remaining, 232.480469 MB of memory in use. ENERGY: 1985800 3888.9512 20453.0343 14471.0782 258.3390 -203525.0078 2641.8324 0.0000 0.0000 52195.4532 -109616.3196 299.9680 -161811.7728 -109260.3616 299.2025 -56.5880 -26.4441 761437.8537 -14.8221 -14.7169 PRESSURE: 1986000 325.401 22.6714 -67.9356 22.6715 142.43 -81.11 -67.9357 -81.111 528.552 GPRESSURE: 1986000 284.282 2.69574 -100.894 63.03 244.57 -105.595 -86.9878 5.8347 552.834 PRESSAVG: 1986000 45.7517 13.6547 34.4985 13.6547 -17.8246 -38.1141 34.4986 -38.1141 46.5515 GPRESSAVG: 1986000 45.2365 12.562 34.6082 17.0488 -18.4226 -37.0714 35.4177 -38.1352 48.2176 TIMING: 1986000 CPU: 6351.52, 0.00313083/step Wall: 6351.52, 0.00313083/step, 2.6212 hours remaining, 232.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1986000 3998.5818 20560.8036 14452.2113 244.4799 -203461.1463 2576.3625 0.0000 0.0000 52133.5582 -109495.1490 299.6123 -161628.7072 -109135.4636 299.2701 332.1275 360.5621 759801.6409 24.8262 25.0105 PRESSURE: 1986200 106.127 84.3887 -227.449 84.3894 94.0863 -124.876 -227.451 -124.875 366.636 GPRESSURE: 1986200 142.086 109.589 -256.912 35.1476 136.208 -176.23 -274.264 -24.2447 375.354 PRESSAVG: 1986200 51.7921 -61.4421 10.2918 -61.4422 -33.4865 -27.7709 10.2918 -27.7709 2.74203 GPRESSAVG: 1986200 51.583 -61.2884 9.67589 -65.6462 -33.7184 -29.0082 9.49244 -26.9968 3.35845 TIMING: 1986200 CPU: 6352.15, 0.00314898/step Wall: 6352.15, 0.00314898/step, 2.63622 hours remaining, 232.480469 MB of memory in use. ENERGY: 1986200 3962.3106 20529.7858 14505.3039 236.7118 -203463.4277 2668.4097 0.0000 0.0000 51983.9997 -109576.9062 298.7528 -161560.9059 -109217.6834 299.1127 188.9496 217.8826 761933.7730 7.0159 7.0744 PRESSURE: 1986400 129.77 -188.881 54.8757 -188.881 128.932 -73.6513 54.8752 -73.6514 -93.3685 GPRESSURE: 1986400 145.955 -149.95 89.5446 -39.8319 120.618 -102.889 3.53134 -111.156 -13.0832 PRESSAVG: 1986400 7.53846 -18.6573 -13.1926 -18.6572 -34.4048 8.16163 -13.1926 8.16162 15.183 GPRESSAVG: 1986400 8.23718 -17.5182 -12.8571 -16.6539 -34.9561 8.6675 -12.291 9.98438 15.2526 TIMING: 1986400 CPU: 6352.78, 0.00315898/step Wall: 6352.78, 0.00315898/step, 2.64442 hours remaining, 232.480469 MB of memory in use. ENERGY: 1986400 4032.9538 20572.7970 14509.2303 237.6939 -203382.8840 2634.1351 0.0000 0.0000 51804.1308 -109591.9431 297.7191 -161396.0739 -109238.1818 298.6319 55.1110 84.4965 760452.5836 -3.8945 -3.8221 PRESSURE: 1986600 -117.272 -119.768 83.9627 -119.769 -20.3232 -335.922 83.963 -335.923 -260.048 GPRESSURE: 1986600 -39.4835 -135.29 64.7677 -119.395 37.9382 -267.084 166.426 -302.045 -323.886 PRESSAVG: 1986600 15.1872 -28.8277 13.2921 -28.8277 6.75749 -22.0144 13.2921 -22.0143 3.49389 GPRESSAVG: 1986600 15.1812 -29.0187 12.1885 -29.1521 8.22324 -20.9373 12.5402 -23.7199 2.86373 TIMING: 1986600 CPU: 6353.41, 0.00315535/step Wall: 6353.41, 0.00315535/step, 2.6412 hours remaining, 232.480469 MB of memory in use. ENERGY: 1986600 4004.3048 20468.5082 14399.4157 244.0474 -203302.5448 2606.1738 0.0000 0.0000 51827.6915 -109752.4034 297.8545 -161580.0949 -109395.7994 298.7404 -132.5476 -108.4770 761529.7418 8.4795 8.7561 PRESSURE: 1986800 190.937 -108.833 -132.509 -108.834 269.027 41.3416 -132.51 41.3424 -118.098 GPRESSURE: 1986800 189.511 -90.1826 -88.6508 -118.453 258.958 39.509 -91.3264 -30.8817 -29.8969 PRESSAVG: 1986800 65.3661 -37.2183 -33.9711 -37.2183 -61.9408 13.5738 -33.971 13.5738 -9.55135 GPRESSAVG: 1986800 63.7208 -37.3947 -31.4367 -36.6474 -60.8481 15.1516 -32.6912 13.5811 -8.99297 TIMING: 1986800 CPU: 6354.03, 0.00312987/step Wall: 6354.03, 0.00312987/step, 2.6197 hours remaining, 232.480469 MB of memory in use. ENERGY: 1986800 3983.8404 20526.7019 14421.7016 247.1384 -203751.8160 2668.8856 0.0000 0.0000 52328.2945 -109575.2536 300.7314 -161903.5481 -109204.3675 298.5456 113.9552 139.5242 760937.7067 -2.0420 -2.0401 PRESSURE: 1987000 -168.944 275.008 230.853 275.009 216.433 -305.719 230.853 -305.717 -166.065 GPRESSURE: 1987000 -90.6611 302.167 336.358 240.999 225.083 -216.234 41.981 -216.051 -172.959 PRESSAVG: 1987000 5.56028 9.44083 55.2423 9.44083 -4.39556 -13.0868 55.2423 -13.0868 -18.1912 GPRESSAVG: 1987000 8.43687 8.22577 54.0134 8.20059 -6.05633 -13.8048 54.0699 -14.4712 -19.5054 TIMING: 1987000 CPU: 6354.66, 0.00315495/step Wall: 6354.66, 0.00315495/step, 2.64052 hours remaining, 232.480469 MB of memory in use. ENERGY: 1987000 4008.7711 20644.3915 14439.9635 249.9733 -203517.1169 2313.9874 0.0000 0.0000 52361.4438 -109498.5862 300.9219 -161860.0300 -109141.4723 299.9000 -39.5255 -12.8457 759935.4423 -5.6755 -5.7083 PRESSURE: 1987200 -56.3502 -112.473 50.5667 -112.472 -201.303 -12.5457 50.5667 -12.5445 108.841 GPRESSURE: 1987200 -55.4916 -65.3221 -15.0911 -114.193 -189.605 -43.5288 46.4018 -41.2596 191.667 PRESSAVG: 1987200 15.9654 12.7334 20.171 12.7334 -4.42534 -56.8555 20.171 -56.8555 17.4495 GPRESSAVG: 1987200 13.4932 14.149 19.9143 12.4421 -2.82702 -58.1661 21.3715 -55.1472 18.8343 TIMING: 1987200 CPU: 6355.3, 0.00315896/step Wall: 6355.3, 0.00315896/step, 2.6437 hours remaining, 232.480469 MB of memory in use. ENERGY: 1987200 3983.8265 20501.9627 14434.8343 230.3805 -203451.4721 2628.4691 0.0000 0.0000 52102.0803 -109569.9188 299.4314 -161671.9991 -109199.1742 299.0267 -49.6041 -17.8101 760631.5184 9.6632 9.8335 PRESSURE: 1987400 103.678 -42.3802 -63.5398 -42.3807 105.551 149.271 -63.5387 149.27 254.006 GPRESSURE: 1987400 155.988 -45.904 0.728789 44.6726 127.252 83.9547 -127.906 95.2408 267.886 PRESSAVG: 1987400 16.9884 -49.5891 7.19807 -49.5891 -15.0309 6.85825 7.19807 6.85819 -18.445 GPRESSAVG: 1987400 18.5392 -50.4676 6.19672 -49.0538 -16.7901 7.55786 7.06257 5.57759 -18.5368 TIMING: 1987400 CPU: 6355.93, 0.00315086/step Wall: 6355.93, 0.00315086/step, 2.63675 hours remaining, 232.480469 MB of memory in use. ENERGY: 1987400 4019.4855 20681.6152 14434.5371 234.2260 -203738.3054 2795.1333 0.0000 0.0000 51996.0288 -109577.2795 298.8219 -161573.3083 -109222.8279 299.3049 154.4117 183.7089 761677.7325 -5.4958 -5.5959 PRESSURE: 1987600 285.616 -96.8883 -190.763 -96.8892 109.377 24.3908 -190.762 24.3902 -213.312 GPRESSURE: 1987600 218.847 -68.0568 -194.047 -33.885 185.437 -63.798 -203.36 58.4619 -156.882 PRESSAVG: 1987600 -43.655 2.57738 25.3075 2.57733 49.2623 -22.5524 25.3075 -22.5525 5.81434 GPRESSAVG: 1987600 -44.9095 0.863892 26.9136 3.77977 51.1937 -23.3091 22.4217 -21.7688 4.81801 TIMING: 1987600 CPU: 6356.56, 0.00317118/step Wall: 6356.56, 0.00317118/step, 2.65357 hours remaining, 232.480469 MB of memory in use. ENERGY: 1987600 3979.7947 20501.8824 14477.8112 251.6246 -203825.3992 2919.1565 0.0000 0.0000 52037.4538 -109657.6759 299.0600 -161695.1297 -109302.3126 299.3444 60.5601 82.4673 760915.2171 3.8072 3.7007 PRESSURE: 1987800 118.756 -52.1582 -220.179 -52.1581 205.882 -102.053 -220.179 -102.054 144.007 GPRESSURE: 1987800 158.566 -58.7155 -245.647 22.156 202.231 -76.0562 -174.233 -93.0285 193.169 PRESSAVG: 1987800 -12.3093 15.1782 -32.5613 15.1782 20.538 -30.7581 -32.5613 -30.7582 -11.1219 GPRESSAVG: 1987800 -12.6542 18.2853 -34.4815 12.8329 20.186 -30.0885 -29.0819 -30.136 -10.4523 TIMING: 1987800 CPU: 6357.19, 0.00315927/step Wall: 6357.19, 0.00315927/step, 2.64343 hours remaining, 232.480469 MB of memory in use. ENERGY: 1987800 3959.9042 20600.1003 14461.2410 256.3284 -203362.7721 2617.6869 0.0000 0.0000 52068.6181 -109398.8932 299.2391 -161467.5113 -109042.0834 299.5156 156.2148 184.6555 760831.0186 -0.9644 -0.9735 PRESSURE: 1988000 -126.103 -78.739 -221.246 -78.7391 153.416 165.941 -221.246 165.941 -349.455 GPRESSURE: 1988000 -94.4747 23.5571 -235.273 -147.852 162.197 50.3265 -272.354 79.206 -296.434 PRESSAVG: 1988000 15.3782 -3.77041 -7.6601 -3.77042 -12.5396 -13.9827 -7.66013 -13.9827 -8.56671 GPRESSAVG: 1988000 15.5399 -4.24163 -6.79244 -2.14575 -12.6714 -13.9457 -11.3413 -13.2745 -8.46977 TIMING: 1988000 CPU: 6357.83, 0.00317677/step Wall: 6357.83, 0.00317677/step, 2.6579 hours remaining, 232.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1988000 4034.2912 20799.8383 14456.8087 268.1688 -203545.5670 2391.8139 0.0000 0.0000 51901.5464 -109693.0997 298.2789 -161594.6461 -109327.7934 299.5848 -107.3807 -76.2373 760595.4498 -1.9094 -1.8671 PRESSURE: 1988200 12.6434 6.42843 -90.7696 6.42868 -102.663 120.387 -90.7701 120.386 -195.675 GPRESSURE: 1988200 60.1698 -68.2384 -67.8584 41.7717 -6.53709 124.986 -133.75 18.2883 -269.299 PRESSAVG: 1988200 27.0893 43.2195 -46.9281 43.2195 -5.18952 -26.5093 -46.9282 -26.5093 -9.58156 GPRESSAVG: 1988200 26.4999 42.0385 -47.2408 45.7104 -4.13497 -26.0359 -43.7811 -27.8843 -9.99102 TIMING: 1988200 CPU: 6358.46, 0.00316369/step Wall: 6358.46, 0.00316369/step, 2.64678 hours remaining, 232.480469 MB of memory in use. ENERGY: 1988200 4011.8485 20572.2422 14381.0667 251.0208 -203406.3420 2193.4065 0.0000 0.0000 52169.0062 -109827.7512 299.8160 -161996.7573 -109459.4520 299.1661 -95.2316 -71.8889 759825.9397 4.1061 4.1246 LDB: ============= START OF LOAD BALANCING ============== 6370.88 LDB: ============== END OF LOAD BALANCING =============== 6370.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6370.89 LDB: ============= START OF LOAD BALANCING ============== 6371.2 LDB: Largest compute 7031 load 0.032968 is 16.9% of average load 0.195387 LDB: Average compute 0.004414 is 2.3% of average load 0.195387 LDB: TIME 6371.2 LOAD: AVG 0.195387 MAX 0.216222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.469 MB LDB: TIME 6371.2 LOAD: AVG 0.195387 MAX 0.216222 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.469 MB LDB: TIME 6371.2 LOAD: AVG 0.195387 MAX 0.216222 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.469 MB LDB: ============== END OF LOAD BALANCING =============== 6371.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6371.21 PRESSURE: 1988400 14.8281 249.901 223.416 249.901 230.679 308.29 223.415 308.29 -41.3298 GPRESSURE: 1988400 72.4947 155.137 95.9276 280.021 254.422 375.926 255.333 277.543 -47.5629 PRESSAVG: 1988400 15.0469 18.2133 -6.15276 18.2133 3.02101 0.661947 -6.15275 0.662018 5.81401 GPRESSAVG: 1988400 14.9199 16.9272 -5.39998 15.6383 2.55605 0.384067 -7.59826 1.09674 5.59067 TIMING: 1988400 CPU: 6359.1, 0.0032154/step Wall: 6359.1, 0.0032154/step, 2.68986 hours remaining, 232.453125 MB of memory in use. ENERGY: 1988400 3895.0706 20451.5557 14486.8410 234.3485 -203852.9878 2752.5838 0.0000 0.0000 52298.4083 -109734.1799 300.5597 -162032.5882 -109361.8522 299.5738 68.0590 93.1180 759134.4454 7.9606 7.6889 PRESSURE: 1988600 -298.602 -261.626 -43.123 -261.625 -358.301 -263.913 -43.1233 -263.913 73.9758 GPRESSURE: 1988600 -233.07 -255.822 -19.8316 -256.054 -322.906 -188.508 27.0806 -288.678 51.313 PRESSAVG: 1988600 9.35222 36.5664 -8.91727 36.5665 -17.0677 -30.7308 -8.91725 -30.7308 -9.97537 GPRESSAVG: 1988600 10.9259 37.454 -8.37399 34.6743 -18.8147 -30.2705 -9.65532 -32.3247 -9.2245 TIMING: 1988600 CPU: 6359.73, 0.00315343/step Wall: 6359.73, 0.00315343/step, 2.63784 hours remaining, 232.777344 MB of memory in use. ENERGY: 1988600 3946.2153 20589.8363 14437.1768 248.6394 -203370.8930 2479.9709 0.0000 0.0000 51940.1316 -109728.9225 298.5007 -161669.0541 -109372.3465 299.2426 -194.3090 -168.2211 759459.1176 -5.8970 -5.7044 PRESSURE: 1988800 441.168 121.007 -59.9235 121.008 -83.7236 -40.3372 -59.9231 -40.3377 103.111 GPRESSURE: 1988800 327.739 225.377 -58.7828 64.8294 95.1675 -93.9478 -3.91975 -87.3549 111.957 PRESSAVG: 1988800 9.00791 -8.61635 -10.4885 -8.6164 -7.03559 -1.11301 -10.4885 -1.11296 11.1128 GPRESSAVG: 1988800 7.64353 -8.12565 -10.241 -6.16134 -4.91473 -1.30921 -9.45639 -1.3749 10.5444 TIMING: 1988800 CPU: 6360.36, 0.00312717/step Wall: 6360.36, 0.00312717/step, 2.6157 hours remaining, 232.847656 MB of memory in use. ENERGY: 1988800 3929.6161 20640.2299 14460.3969 238.5719 -203635.2943 2524.1308 0.0000 0.0000 52127.1772 -109715.1716 299.5756 -161842.3487 -109346.7261 298.8610 153.5183 178.2878 759534.7994 4.3617 4.4244 PRESSURE: 1989000 -146.453 -75.4153 179.731 -75.4152 -284.252 258.643 179.73 258.642 5.5671 GPRESSURE: 1989000 -94.5655 -117.131 94.8843 -46.2026 -311.21 304.002 117.709 134.867 82.8296 PRESSAVG: 1989000 17.0891 -43.9039 -17.9142 -43.9038 -38.4973 35.2884 -17.9142 35.2883 10.6916 GPRESSAVG: 1989000 17.6585 -45.1253 -19.3763 -43.4861 -39.5408 34.3174 -16.9119 35.7085 10.8317 TIMING: 1989000 CPU: 6360.99, 0.00316957/step Wall: 6360.99, 0.00316957/step, 2.65099 hours remaining, 232.847656 MB of memory in use. ENERGY: 1989000 4006.1364 20584.1940 14424.4848 253.1409 -203158.4941 2440.7144 0.0000 0.0000 51988.4330 -109461.3905 298.7782 -161449.8235 -109100.6626 299.3268 -141.7125 -107.6487 760439.9225 -3.5722 -3.6835 PRESSURE: 1989200 108.441 -322.847 -102.934 -322.848 229.478 190.153 -102.935 190.152 -22.3956 GPRESSURE: 1989200 139.493 -340.013 -176.291 -205.748 284.612 194.567 -79.9466 236.861 -29.7289 PRESSAVG: 1989200 58.9882 -16.4007 21.4123 -16.4007 -18.5674 6.18392 21.4123 6.18395 11.235 GPRESSAVG: 1989200 58.627 -13.4467 21.6315 -17.9578 -18.0125 5.48913 18.4278 7.39836 11.0898 TIMING: 1989200 CPU: 6361.63, 0.00317174/step Wall: 6361.63, 0.00317174/step, 2.65263 hours remaining, 233.050781 MB of memory in use. ENERGY: 1989200 4008.8442 20637.7236 14363.0935 248.8647 -203651.0478 2699.7667 0.0000 0.0000 52341.2086 -109351.5466 300.8056 -161692.7552 -108989.8681 299.7229 105.1742 131.4586 760249.6140 17.2186 17.2348 PRESSURE: 1989400 -481.405 135.986 50.6336 135.986 19.347 -95.6627 50.6335 -95.6635 -250.173 GPRESSURE: 1989400 -360.477 83.3907 104.518 80.2971 40.349 -82.3305 117.953 -128.89 -300.997 PRESSAVG: 1989400 -22.5009 11.7976 11.5341 11.7975 40.0998 44.721 11.5341 44.7211 -27.5817 GPRESSAVG: 1989400 -21.5562 11.3476 10.9804 11.377 39.9475 43.684 12.6969 46.8302 -28.0945 TIMING: 1989400 CPU: 6362.26, 0.00315248/step Wall: 6362.26, 0.00315248/step, 2.63635 hours remaining, 233.050781 MB of memory in use. ENERGY: 1989400 4126.8753 20671.7578 14471.4404 241.0992 -203159.9336 2093.0355 0.0000 0.0000 52026.2160 -109529.5094 298.9954 -161555.7254 -109177.6269 299.9751 -237.4103 -207.0417 760765.8553 -3.3276 -3.2344 PRESSURE: 1989600 -264.233 174.384 -32.9264 174.385 -294.967 -36.2687 -32.9262 -36.2698 -81.9539 GPRESSURE: 1989600 -230.97 117.309 17.1956 103.526 -275.016 52.1796 -87.7473 56.1194 -67.0551 PRESSAVG: 1989600 -18.9791 6.34879 9.67342 6.34879 7.2849 12.2782 9.67342 12.2781 11.8854 GPRESSAVG: 1989600 -19.899 5.58597 10.1777 7.52765 7.42684 15.6735 10.6629 10.4989 12.7232 TIMING: 1989600 CPU: 6362.89, 0.00315747/step Wall: 6362.89, 0.00315747/step, 2.64035 hours remaining, 233.050781 MB of memory in use. ENERGY: 1989600 4079.0943 20683.9862 14496.2106 257.3249 -203652.9476 2424.5857 0.0000 0.0000 52375.5497 -109336.1961 301.0030 -161711.7458 -108972.3602 299.8066 -213.7178 -191.0136 759717.9562 0.0637 0.0837 PRESSURE: 1989800 -332.727 -84.2748 -32.0647 -84.274 269.861 172.076 -32.0649 172.076 101.284 GPRESSURE: 1989800 -241.51 28.9547 12.3045 -115.779 261.317 118.061 -59.5304 167.602 104.113 PRESSAVG: 1989800 40.2054 28.4008 -61.4791 28.4007 -26.9824 -10.8124 -61.4792 -10.8124 13.9969 GPRESSAVG: 1989800 40.33 28.3731 -61.0471 28.094 -28.1181 -13.7532 -63.5035 -10.3668 14.3617 TIMING: 1989800 CPU: 6363.52, 0.00316172/step Wall: 6363.52, 0.00316171/step, 2.64372 hours remaining, 233.050781 MB of memory in use. ENERGY: 1989800 4047.2616 20697.3116 14459.5323 253.9156 -203260.0179 2314.9135 0.0000 0.0000 52002.0169 -109485.0664 298.8563 -161487.0833 -109117.1775 299.8211 12.8060 41.3066 762302.9656 9.0733 8.8579 PRESSURE: 1990000 -96.4724 120.064 -112.978 120.065 -286.384 -37.9241 -112.978 -37.9247 -251.569 GPRESSURE: 1990000 -57.0743 22.5283 -171.268 114.374 -248.224 -45.8066 32.5416 -22.6248 -223.128 PRESSAVG: 1990000 -23.6686 33.7702 -22.4065 33.7702 -19.8506 8.88056 -22.4065 8.88058 -1.61294 GPRESSAVG: 1990000 -22.4321 34.1506 -23.5725 33.2183 -18.8519 9.9609 -19.118 5.1829 -3.10474 TIMING: 1990000 CPU: 6364.15, 0.00315779/step Wall: 6364.15, 0.0031578/step, 2.64027 hours remaining, 233.050781 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: 1990000 3977.9822 20463.4467 14451.0288 250.6658 -203204.4708 2468.9673 0.0000 0.0000 51973.1245 -109619.2556 298.6903 -161592.3801 -109245.5675 299.1197 -211.4752 -176.1421 762325.2820 -15.0441 -14.7963 PRESSURE: 1990200 -107.337 -208.233 -153.13 -208.233 -131.558 82.8595 -153.129 82.8595 -106.139 GPRESSURE: 1990200 -54.205 -169.24 -207.122 -196.362 -152.798 78.6048 -234.927 76.4915 -57.3736 PRESSAVG: 1990200 3.06268 -24.1085 -5.64358 -24.1085 -5.16714 34.2143 -5.64354 34.2144 -2.54061 GPRESSAVG: 1990200 2.94846 -23.9041 -3.65915 -23.3462 -5.2738 34.3955 -8.81337 38.4846 -2.53594 TIMING: 1990200 CPU: 6364.79, 0.00317285/step Wall: 6364.79, 0.00317285/step, 2.65268 hours remaining, 233.050781 MB of memory in use. ENERGY: 1990200 3901.0452 20644.3437 14467.4911 237.5255 -203486.9234 2691.3799 0.0000 0.0000 51807.9913 -109737.1468 297.7412 -161545.1381 -109377.4831 298.5741 -115.0112 -88.1254 760192.6528 -1.5484 -1.6204 PRESSURE: 1990400 112.558 -73.6216 -40.4535 -73.6227 123.995 -29.0261 -40.4532 -29.0243 -313.251 GPRESSURE: 1990400 110.533 -167.445 -26.9957 -50.9256 80.9766 33.1587 -60.7354 -34.1091 -186.014 PRESSAVG: 1990400 18.735 -12.812 -5.72506 -12.812 51.0466 44.6884 -5.72509 44.6884 14.8684 GPRESSAVG: 1990400 17.4594 -13.4233 -8.85385 -12.656 50.3888 43.6146 -4.98965 43.8877 15.8547 TIMING: 1990400 CPU: 6365.42, 0.00316244/step Wall: 6365.42, 0.00316244/step, 2.6438 hours remaining, 233.050781 MB of memory in use. ENERGY: 1990400 3961.2857 20521.8787 14458.7056 244.5802 -203557.2662 2515.4482 0.0000 0.0000 52142.1351 -109713.2327 299.6616 -161855.3677 -109345.7749 298.8318 -25.5662 1.8319 760196.5847 28.2166 27.9010 PRESSURE: 1990600 160.015 -73.6803 -84.4376 -73.6803 152.209 4.64074 -84.4372 4.6413 244.06 GPRESSURE: 1990600 175.476 -31.7982 -89.87 -104.071 169.774 -20.7252 -19.4593 -140.327 281.869 PRESSAVG: 1990600 -43.6727 4.76184 -9.11454 4.76179 9.88368 2.17302 -9.11462 2.17315 -2.60077 GPRESSAVG: 1990600 -42.5402 3.97601 -9.44497 5.39422 9.58755 2.859 -8.03318 0.281072 -3.59007 TIMING: 1990600 CPU: 6366.06, 0.00317303/step Wall: 6366.06, 0.00317303/step, 2.65248 hours remaining, 233.050781 MB of memory in use. ENERGY: 1990600 3941.2861 20479.2894 14498.3252 262.4861 -203623.8365 2701.1142 0.0000 0.0000 51778.9962 -109962.3393 297.5746 -161741.3355 -109596.4357 298.8495 185.4280 209.0398 760401.4987 -12.1299 -12.1809 PRESSURE: 1990800 161.129 -0.235761 -102.386 -0.236452 -166.171 -171.687 -102.386 -171.687 446.055 GPRESSURE: 1990800 161.772 -66.4486 -93.4087 145.691 -103.489 -171.161 -111.781 46.4801 475.09 PRESSAVG: 1990800 -30.0664 1.73232 6.9955 1.73235 68.7447 -29.078 6.99549 -29.078 -0.12517 GPRESSAVG: 1990800 -31.1444 1.49969 9.28652 0.939498 68.5566 -27.8993 7.48642 -26.7458 1.25214 TIMING: 1990800 CPU: 6366.69, 0.00314576/step Wall: 6366.69, 0.00314576/step, 2.62951 hours remaining, 233.050781 MB of memory in use. ENERGY: 1990800 4073.1779 20440.3701 14444.7389 244.8829 -203669.5101 2733.7065 0.0000 0.0000 51937.7967 -109794.8370 298.4872 -161732.6337 -109440.5660 298.9955 147.0043 177.7908 758223.9259 12.8511 12.8881 PRESSURE: 1991000 200.223 150.074 109.454 150.074 53.478 38.6448 109.454 38.6443 -36.7208 GPRESSURE: 1991000 307.302 124.63 181.402 119.614 -17.2084 93.4097 70.2005 0.481898 -6.07977 PRESSAVG: 1991000 -2.81045 -37.1054 27.1069 -37.1053 50.6788 -23.3707 27.1069 -23.3708 -39.6172 GPRESSAVG: 1991000 -1.33863 -35.9542 26.9229 -36.4705 49.9655 -23.8935 25.6377 -24.0097 -40.3837 TIMING: 1991000 CPU: 6367.31, 0.00314295/step Wall: 6367.31, 0.00314295/step, 2.62698 hours remaining, 233.050781 MB of memory in use. ENERGY: 1991000 3959.3264 20515.5025 14450.8745 240.8869 -203328.1607 2286.6578 0.0000 0.0000 52042.9386 -109831.9739 299.0915 -161874.9125 -109459.2838 299.1203 72.3269 94.6714 760844.6568 2.7504 2.7477 PRESSURE: 1991200 59.4219 54.9967 243.674 54.9971 -172.268 19.5157 243.673 19.5171 425.331 GPRESSURE: 1991200 52.9244 87.1699 318.015 -45.3391 -39.4549 -21.7387 169.841 -87.4752 394.615 PRESSAVG: 1991200 -11.4678 -34.5733 35.4402 -34.5733 -57.8251 -60.3615 35.4402 -60.3615 14.0323 GPRESSAVG: 1991200 -13.2387 -33.4951 35.3234 -35.6428 -56.0022 -60.9692 37.0104 -61.3517 14.2008 TIMING: 1991200 CPU: 6367.94, 0.00315479/step Wall: 6367.94, 0.00315479/step, 2.63671 hours remaining, 233.050781 MB of memory in use. ENERGY: 1991200 3988.0656 20428.9253 14464.5272 250.8656 -203359.7056 2388.4168 0.0000 0.0000 51947.1742 -109891.7310 298.5411 -161838.9052 -109531.7054 298.4352 104.1617 136.0280 758442.1492 -18.4202 -18.3467 PRESSURE: 1991400 8.24609 79.9568 -100.456 79.9568 242.712 37.9929 -100.457 37.9928 308.904 GPRESSURE: 1991400 -23.0374 45.9105 -88.451 24.1317 264.27 -22.1338 -80.4179 -14.5248 410.771 PRESSAVG: 1991400 7.38142 -27.7579 13.929 -27.7579 24.9862 27.6444 13.9291 27.6444 6.86493 GPRESSAVG: 1991400 7.092 -29.6345 13.6671 -27.8093 24.376 26.8263 12.5931 28.0423 7.47594 TIMING: 1991400 CPU: 6368.58, 0.00315603/step Wall: 6368.58, 0.00315602/step, 2.63756 hours remaining, 233.050781 MB of memory in use. ENERGY: 1991400 3903.4350 20549.9558 14449.0991 261.4780 -203348.8621 2455.3902 0.0000 0.0000 51796.8606 -109932.6432 297.6773 -161729.5038 -109566.7072 298.6054 186.6208 217.3347 758495.5004 13.0775 12.9813 PRESSURE: 1991600 -210.677 -98.8264 86.3073 -98.8267 196.517 152.526 86.3066 152.526 -467.779 GPRESSURE: 1991600 -111.064 -113.824 101.968 -30.1563 138.529 150.577 95.9959 172.046 -431.364 PRESSAVG: 1991600 -3.85902 -60.5583 16.1301 -60.5583 -19.6223 37.2901 16.1301 37.2901 -15.0966 GPRESSAVG: 1991600 -1.6807 -57.4469 16.5955 -61.4446 -20.8852 37.9785 16.1455 37.2196 -16.3967 TIMING: 1991600 CPU: 6369.21, 0.00315423/step Wall: 6369.21, 0.00315423/step, 2.63589 hours remaining, 233.050781 MB of memory in use. ENERGY: 1991600 4050.2836 20581.5128 14470.3412 230.7295 -203598.1485 2454.3507 0.0000 0.0000 51941.2454 -109869.6852 298.5071 -161810.9306 -109513.5228 297.9261 -160.6465 -134.6332 759058.2324 -12.8593 -12.9875 PRESSURE: 1991800 156.957 -36.9035 -47.5346 -36.9028 -299.235 -73.5642 -47.5346 -73.564 229.716 GPRESSURE: 1991800 135.8 -48.6305 -26.3924 -102.601 -144.2 -124.724 -96.7704 -78.9765 186.362 PRESSAVG: 1991800 -9.2797 -68.9477 16.9379 -68.9477 16.192 -52.8054 16.9379 -52.8055 13.5164 GPRESSAVG: 1991800 -10.4966 -71.5005 17.2099 -68.3463 18.2728 -52.754 18.1517 -51.3883 13.0575 TIMING: 1991800 CPU: 6369.83, 0.00312646/step Wall: 6369.83, 0.00312646/step, 2.6125 hours remaining, 233.050781 MB of memory in use. ENERGY: 1991800 3952.9676 20502.5928 14470.5136 241.8039 -203679.1881 2661.2470 0.0000 0.0000 51930.7730 -109919.2903 298.4469 -161850.0633 -109558.6820 298.6307 29.1460 59.3206 759377.7931 6.8096 6.9446 PRESSURE: 1992000 113.782 -80.6246 -108.634 -80.6249 -240.127 123.218 -108.635 123.217 13.564 GPRESSURE: 1992000 70.8265 -51.7539 -140.531 -206.134 -123.153 91.6594 -113.306 151.048 35.3912 PRESSAVG: 1992000 -20.4649 -37.1368 -53.8808 -37.1368 66.694 22.6064 -53.8807 22.6064 -13.7591 GPRESSAVG: 1992000 -20.4139 -35.0056 -53.9154 -38.0413 67.2335 21.5465 -56.1877 20.9652 -14.2122 TIMING: 1992000 CPU: 6370.46, 0.00313277/step Wall: 6370.46, 0.00313277/step, 2.6176 hours remaining, 233.050781 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: 1992000 3955.9440 20342.7990 14451.4718 238.0299 -203519.1100 2523.3173 0.0000 0.0000 52270.4798 -109737.0681 300.3992 -162007.5480 -109368.9997 298.8104 -37.5938 -5.6452 760582.5303 10.8233 10.8691 PRESSURE: 1992200 242.734 124.787 -62.1773 124.787 190.996 310.653 -62.1767 310.653 -139.109 GPRESSURE: 1992200 306.991 154.986 38.12 162.165 151.513 301.91 -9.78084 145.647 -63.941 PRESSAVG: 1992200 -37.2355 -16.5614 26.1222 -16.5613 -10.5926 17.4553 26.1222 17.4553 -15.0505 GPRESSAVG: 1992200 -38.3652 -19.1774 25.7284 -13.9829 -11.2623 18.4249 28.642 18.1154 -12.9744 TIMING: 1992200 CPU: 6371.09, 0.00314191/step Wall: 6371.09, 0.00314191/step, 2.62506 hours remaining, 233.050781 MB of memory in use. ENERGY: 1992200 3988.6838 20382.9840 14442.9095 255.4194 -203796.6731 2676.6099 0.0000 0.0000 52129.1249 -109920.9416 299.5868 -162050.0665 -109559.1905 298.7654 98.2072 131.5211 759302.3174 -20.9595 -20.8673 LDB: ============= START OF LOAD BALANCING ============== 6383.51 LDB: ============== END OF LOAD BALANCING =============== 6383.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.51 LDB: ============= START OF LOAD BALANCING ============== 6383.82 LDB: Largest compute 7078 load 0.034105 is 17.4% of average load 0.195459 LDB: Average compute 0.004423 is 2.3% of average load 0.195459 LDB: TIME 6383.83 LOAD: AVG 0.195459 MAX 0.217863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.457 MB LDB: TIME 6383.83 LOAD: AVG 0.195459 MAX 0.217863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.496 MB LDB: TIME 6383.83 LOAD: AVG 0.195459 MAX 0.217863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.496 MB LDB: ============== END OF LOAD BALANCING =============== 6383.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.84 PRESSURE: 1992400 -446.542 412.166 -48.0888 412.164 -205.269 135.172 -48.0893 135.171 -223.474 GPRESSURE: 1992400 -366.694 422.713 32.8282 353.902 -161.183 132.711 -30.4745 106.581 -258.164 PRESSAVG: 1992400 -6.73927 22.6799 -20.8445 22.6799 -8.16841 20.8919 -20.8445 20.8919 14.8993 GPRESSAVG: 1992400 -5.28874 24.7699 -21.2959 20.6956 -7.84261 22.2997 -22.6566 20.1138 14.2067 TIMING: 1992400 CPU: 6371.73, 0.00321533/step Wall: 6371.73, 0.00321533/step, 2.68623 hours remaining, 233.675781 MB of memory in use. ENERGY: 1992400 4011.5797 20576.4660 14457.8147 243.9073 -203336.9309 2204.3824 0.0000 0.0000 51740.3015 -110102.4794 297.3522 -161842.7809 -109745.3609 297.7947 -291.7616 -262.0136 758237.2502 -0.0028 0.3585 PRESSURE: 1992600 -127.074 37.8986 -8.58757 37.8986 -34.8336 -55.983 -8.58822 -55.9826 287.382 GPRESSURE: 1992600 -109.03 -14.1603 -128.733 82.9159 -16.6448 42.4199 41.647 -132.838 324.519 PRESSAVG: 1992600 -61.0905 13.8788 -7.58997 13.8789 34.3296 -0.470711 -7.59002 -0.470543 4.78632 GPRESSAVG: 1992600 -60.4232 12.8081 -6.85446 14.4146 34.1807 -1.29023 -6.24378 0.965806 4.47296 TIMING: 1992600 CPU: 6372.36, 0.00314091/step Wall: 6372.36, 0.00314091/step, 2.62389 hours remaining, 233.746094 MB of memory in use. ENERGY: 1992600 4003.2145 20478.1218 14475.3796 243.1261 -203534.9111 2595.2156 0.0000 0.0000 51837.6604 -109902.1932 297.9117 -161739.8536 -109541.2415 298.0819 41.8249 66.2814 758685.9493 -7.3249 -7.2565 PRESSURE: 1992800 35.3244 -17.8633 44.5348 -17.8636 -118.506 150.793 44.5349 150.795 146.308 GPRESSURE: 1992800 34.5776 -94.4226 44.2638 95.1177 -32.8075 144.372 1.46277 42.9794 147.49 PRESSAVG: 1992800 25.3311 -1.28523 -4.74007 -1.28521 -0.93488 -14.7712 -4.7401 -14.7712 -10.0009 GPRESSAVG: 1992800 24.9227 -2.98687 -5.70193 -0.829712 -0.315589 -15.0054 -4.72982 -15.5548 -10.1973 TIMING: 1992800 CPU: 6372.99, 0.0031763/step Wall: 6372.99, 0.0031763/step, 2.65327 hours remaining, 233.746094 MB of memory in use. ENERGY: 1992800 3931.1249 20422.0436 14514.1900 251.2235 -203268.5249 2500.5451 0.0000 0.0000 51709.8696 -109939.5281 297.1773 -161649.3977 -109586.1780 298.1112 21.0420 49.7532 759178.5550 4.7984 4.8033 PRESSURE: 1993000 -42.7631 -223.907 95.4526 -223.908 20.2284 -108.583 95.4515 -108.583 391.113 GPRESSURE: 1993000 -45.7501 -126.909 60.5569 -108.133 76.6694 -180.451 52.9992 -83.0112 418.69 PRESSAVG: 1993000 -71.1927 -38.8563 1.08602 -38.8563 57.0917 -40.3447 1.08604 -40.3447 -6.04995 GPRESSAVG: 1993000 -70.9588 -36.3206 -1.01506 -40.8726 56.169 -39.9189 2.33991 -40.5704 -4.78871 TIMING: 1993000 CPU: 6373.63, 0.00317303/step Wall: 6373.63, 0.00317303/step, 2.65036 hours remaining, 233.746094 MB of memory in use. ENERGY: 1993000 4079.6153 20545.3612 14494.2034 251.3479 -203638.3597 2508.4506 0.0000 0.0000 51954.2185 -109805.1628 298.5816 -161759.3813 -109446.2931 298.1035 122.8595 149.8699 759868.6322 -6.7170 -6.5262 PRESSURE: 1993200 305.716 -242.549 -71.2161 -242.548 155.309 -195.057 -71.2161 -195.056 359.695 GPRESSURE: 1993200 283.302 -153.695 -92.0276 -296.86 260.634 -166.687 -120.261 -185.455 330.168 PRESSAVG: 1993200 9.80232 -28.8627 13.8087 -28.8627 15.5188 -23.545 13.8088 -23.545 9.42675 GPRESSAVG: 1993200 9.68509 -29.0648 16.408 -27.7411 17.1216 -23.2722 13.4259 -23.3785 7.80113 TIMING: 1993200 CPU: 6374.26, 0.00315089/step Wall: 6374.26, 0.00315089/step, 2.63169 hours remaining, 233.746094 MB of memory in use. ENERGY: 1993200 4024.0585 20499.8505 14530.2217 240.6858 -203697.5106 2575.5152 0.0000 0.0000 52245.9584 -109581.2204 300.2582 -161827.1788 -109208.5609 298.9325 273.5731 291.3676 761007.3936 11.5826 11.5359 PRESSURE: 1993400 -95.7947 -73.544 -75.0026 -73.5433 -52.7821 -136.028 -75.0025 -136.028 107.46 GPRESSURE: 1993400 2.55184 -42.48 -55.3164 -25.2423 -30.1876 -244.97 35.4385 -113.942 82.2122 PRESSAVG: 1993400 31.3013 -54.5756 -18.0089 -54.5756 -75.1898 -34.0656 -18.0089 -34.0657 1.23917 GPRESSAVG: 1993400 31.3136 -55.5123 -19.0587 -54.8906 -75.5599 -35.9959 -18.0636 -32.924 1.54574 TIMING: 1993400 CPU: 6374.88, 0.00313107/step Wall: 6374.88, 0.00313107/step, 2.61496 hours remaining, 233.746094 MB of memory in use. ENERGY: 1993400 3959.9274 20534.7977 14485.4170 258.5147 -203603.3345 2672.2361 0.0000 0.0000 51993.7076 -109698.7339 298.8086 -161692.4415 -109335.6265 299.2047 -13.7057 18.1922 760435.2644 -14.2164 -14.2335 PRESSURE: 1993600 184.443 -50.9488 -44.6589 -50.9495 8.36089 -85.1564 -44.6594 -85.1558 -220.322 GPRESSURE: 1993600 197.164 44.9473 32.7495 -126.613 54.7232 -22.1641 -57.4557 -101.805 -183.454 PRESSAVG: 1993600 42.6466 -32.9728 25.0251 -32.9727 -57.3837 -74.1021 25.0251 -74.1021 -5.03515 GPRESSAVG: 1993600 42.5094 -33.0471 25.2708 -33.458 -57.2219 -72.1394 24.0973 -74.2337 -4.51539 TIMING: 1993600 CPU: 6375.51, 0.0031465/step Wall: 6375.51, 0.0031465/step, 2.62768 hours remaining, 233.746094 MB of memory in use. ENERGY: 1993600 4064.6742 20258.7375 14411.8095 252.0123 -202911.2909 2313.7621 0.0000 0.0000 51774.4482 -109835.8471 297.5485 -161610.2952 -109477.0206 298.5119 -9.1728 22.8112 761127.1721 -6.5908 -6.4093 PRESSURE: 1993800 245.879 28.5612 -14.1122 28.5602 126.382 -138.754 -14.1126 -138.754 415.635 GPRESSURE: 1993800 250.859 50.4539 15.7884 -27.4438 170.276 -122.977 -6.72282 -58.1348 440.735 PRESSAVG: 1993800 16.8868 -7.58253 16.2346 -7.58256 -23.9984 -8.14433 16.2346 -8.14435 -3.51499 GPRESSAVG: 1993800 16.3929 -8.75185 17.9672 -7.60983 -24.1473 -8.4813 14.4476 -9.22372 -2.95709 TIMING: 1993800 CPU: 6376.14, 0.00314757/step Wall: 6376.14, 0.00314757/step, 2.6284 hours remaining, 233.746094 MB of memory in use. ENERGY: 1993800 3971.3676 20469.7128 14484.6209 235.6516 -203537.9332 2791.2367 0.0000 0.0000 52023.9786 -109561.3651 298.9825 -161585.3437 -109214.5124 298.6344 262.6321 287.2900 760917.3079 -3.5422 -3.5705 PRESSURE: 1994000 -340.923 18.8021 243.273 18.8019 60.9626 -215.496 243.273 -215.496 119.763 GPRESSURE: 1994000 -267.553 16.7188 216.112 62.0578 11.8884 -221.626 114.848 -122.848 190.532 PRESSAVG: 1994000 -38.5438 -40.2949 2.55918 -40.2949 5.45414 -26.5 2.55918 -26.4999 -5.39121 GPRESSAVG: 1994000 -38.2969 -39.4588 1.56588 -36.2032 5.44937 -25.7917 3.59021 -26.5349 -6.05974 TIMING: 1994000 CPU: 6376.78, 0.00317997/step Wall: 6376.78, 0.00317997/step, 2.65527 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1994000 3991.0698 20335.2392 14555.4634 261.7304 -203148.5679 2643.4912 0.0000 0.0000 51955.3536 -109406.2204 298.5881 -161361.5740 -109047.2972 299.0584 -53.3992 -21.7110 762243.0965 -12.8270 -12.9691 PRESSURE: 1994200 214.176 139.422 24.9244 139.421 -35.3999 -86.1453 24.9251 -86.1455 -233.784 GPRESSURE: 1994200 250.417 64.5715 52.2205 120.551 -17.2248 -189.326 114.887 -84.5133 -216.702 PRESSAVG: 1994200 -9.64851 -16.9631 23.645 -16.9631 9.35692 -0.494832 23.645 -0.494906 2.28167 GPRESSAVG: 1994200 -9.30794 -16.8052 23.9728 -21.189 8.85228 -2.51613 21.5987 0.697614 2.74803 TIMING: 1994200 CPU: 6377.41, 0.00316406/step Wall: 6377.41, 0.00316406/step, 2.64181 hours remaining, 233.746094 MB of memory in use. ENERGY: 1994200 3991.1937 20444.0869 14444.1312 239.5531 -203239.1347 2514.3469 0.0000 0.0000 52211.3054 -109394.5176 300.0591 -161605.8230 -109022.5911 298.9876 -18.3357 5.4967 761429.1903 0.6634 0.7641 PRESSURE: 1994400 89.4407 109.939 1.40039 109.939 41.3789 311.449 1.40038 311.448 -203.451 GPRESSURE: 1994400 95.7379 13.4466 -20.1565 32.2911 139.244 295.67 60.1137 220.07 -236.216 PRESSAVG: 1994400 -42.2187 -18.6874 61.3845 -18.6875 59.4519 -14.9525 61.3845 -14.9524 -14.1692 GPRESSAVG: 1994400 -42.5622 -17.7011 59.541 -19.5688 59.0703 -12.6238 63.1847 -17.9256 -13.5111 TIMING: 1994400 CPU: 6378.04, 0.00316091/step Wall: 6378.04, 0.00316091/step, 2.63901 hours remaining, 233.746094 MB of memory in use. ENERGY: 1994400 3994.0426 20493.9869 14488.8191 246.0917 -203729.6423 2654.0702 0.0000 0.0000 52268.7488 -109583.8829 300.3892 -161852.6317 -109218.3617 299.6614 -24.2106 -0.4113 760746.9889 1.0214 0.9990 PRESSURE: 1994600 -19.271 -204.103 102.332 -204.103 -43.714 -97.7841 102.332 -97.7838 -278.442 GPRESSURE: 1994600 -60.4652 -190.758 90.7032 -296.317 82.1994 -56.5837 140.035 -145.498 -294.77 PRESSAVG: 1994600 16.7072 -46.5758 -4.70253 -46.5758 -39.1746 3.80525 -4.70259 3.8052 -2.01868 GPRESSAVG: 1994600 17.9232 -48.0964 -2.89844 -45.4252 -37.7124 3.21226 -3.47736 4.52901 -4.32649 TIMING: 1994600 CPU: 6378.67, 0.00315241/step Wall: 6378.67, 0.00315241/step, 2.63173 hours remaining, 233.746094 MB of memory in use. ENERGY: 1994600 3951.0435 20362.7420 14509.6560 258.7210 -203288.7009 2456.8344 0.0000 0.0000 51971.5521 -109778.1518 298.6812 -161749.7039 -109417.2700 299.0337 -113.8089 -91.0119 760545.1448 -8.1620 -8.0386 PRESSURE: 1994800 -9.8734 -147.88 -71.4136 -147.88 -285.599 -5.05964 -71.4137 -5.05881 -91.7631 GPRESSURE: 1994800 -38.9667 -160.903 -143.669 -181.133 -192.046 -34.9469 -11.3284 91.7642 -66.311 PRESSAVG: 1994800 -1.32263 -38.0565 25.3 -38.0565 -10.237 -55.0479 25.3 -55.048 -10.6619 GPRESSAVG: 1994800 -3.47363 -38.4158 25.1249 -38.0836 -10.3264 -56.5295 24.0274 -55.3038 -8.08905 TIMING: 1994800 CPU: 6379.3, 0.00313335/step Wall: 6379.3, 0.00313335/step, 2.61565 hours remaining, 233.746094 MB of memory in use. ENERGY: 1994800 3966.8072 20503.5158 14437.4161 234.7017 -203320.3591 2232.9850 0.0000 0.0000 51966.8599 -109978.0734 298.6543 -161944.9333 -109614.6331 298.5100 -129.0785 -99.1078 760555.6324 -7.4072 -7.2964 PRESSURE: 1995000 -284.562 -92.7386 6.6075 -92.7382 -430.865 -171.023 6.60808 -171.023 -549.523 GPRESSURE: 1995000 -193.725 -11.0365 2.19923 -15.0265 -485.498 -234.457 66.2651 -148.327 -514.587 PRESSAVG: 1995000 -23.9481 -11.3386 17.1853 -11.3386 25.0227 9.29356 17.1853 9.29353 23.6808 GPRESSAVG: 1995000 -21.7159 -10.673 17.1608 -10.8145 24.7778 8.70829 17.9794 9.65995 21.6264 TIMING: 1995000 CPU: 6379.94, 0.00317904/step Wall: 6379.94, 0.00317904/step, 2.65362 hours remaining, 233.746094 MB of memory in use. ENERGY: 1995000 3945.5622 20576.8135 14444.5570 228.9403 -202915.2312 1985.1035 0.0000 0.0000 51855.7606 -109878.4941 298.0158 -161734.2547 -109520.5252 298.4834 -421.6502 -397.9368 759166.5164 8.2518 8.2294 PRESSURE: 1995200 -175.609 110.712 -83.398 110.711 160.506 22.515 -83.398 22.5161 -99.8048 GPRESSURE: 1995200 -66.0932 21.8951 -71.4014 15.0657 133.572 -3.08708 15.5791 72.381 -80.3534 PRESSAVG: 1995200 -17.1831 48.0156 -4.96932 48.0156 -17.6907 -14.3975 -4.96932 -14.3976 -3.64781 GPRESSAVG: 1995200 -17.1112 45.8817 -6.17502 48.0715 -19.5188 -15.5355 -3.1004 -12.5008 -2.30974 TIMING: 1995200 CPU: 6380.57, 0.00316969/step Wall: 6380.57, 0.00316969/step, 2.64563 hours remaining, 233.746094 MB of memory in use. ENERGY: 1995200 4022.0728 20394.9539 14451.8703 228.1040 -203569.1338 2557.0536 0.0000 0.0000 52209.6495 -109705.4296 300.0496 -161915.0791 -109344.2588 298.1671 -38.3024 -4.2915 758817.0788 -12.8405 -12.9799 PRESSURE: 1995400 119.334 215.786 -318.474 215.786 -289.875 64.1321 -318.475 64.1329 -61.6175 GPRESSURE: 1995400 34.2277 166.36 -309.496 252.533 -226.46 -55.1119 -291.972 43.6798 38.8776 PRESSAVG: 1995400 8.42939 16.6548 3.01197 16.6548 35.0302 7.46296 3.01194 7.46287 15.2979 GPRESSAVG: 1995400 7.59384 16.4602 2.89328 17.5997 36.9167 9.22567 2.01375 7.28056 14.3149 TIMING: 1995400 CPU: 6381.21, 0.00318458/step Wall: 6381.21, 0.00318458/step, 2.65789 hours remaining, 233.746094 MB of memory in use. ENERGY: 1995400 4015.6328 20506.9866 14496.4924 258.6130 -203506.9850 2473.4116 0.0000 0.0000 51930.3537 -109825.4949 298.4445 -161755.8485 -109467.5552 298.2997 -77.3864 -51.1182 758784.5378 19.5858 19.6085 PRESSURE: 1995600 1.01591 -146.379 -143.935 -146.379 -20.0179 6.35527 -143.935 6.35591 447.56 GPRESSURE: 1995600 11.156 -150.673 -83.7077 -45.2449 54.7901 56.9225 -101.709 57.6985 455.991 PRESSAVG: 1995600 28.4469 -22.3045 -40.4697 -22.3044 -18.498 -32.4121 -40.4698 -32.4121 -7.34911 GPRESSAVG: 1995600 28.8984 -20.2175 -40.313 -24.6884 -18.5548 -31.8341 -41.3441 -31.9365 -7.81131 TIMING: 1995600 CPU: 6381.84, 0.00316391/step Wall: 6381.84, 0.00316391/step, 2.64045 hours remaining, 233.746094 MB of memory in use. ENERGY: 1995600 3968.3337 20472.7119 14486.3738 249.0570 -203485.1226 2812.3836 0.0000 0.0000 51674.7983 -109821.4642 296.9758 -161496.2626 -109462.3539 298.5693 142.8527 173.9789 759630.5965 0.8666 0.8441 PRESSURE: 1995800 -239.067 -92.5186 191.859 -92.5196 -276.831 -84.6885 191.859 -84.6885 128.452 GPRESSURE: 1995800 -141.549 -15.9064 169.224 -5.396 -328.714 -21.5109 168.439 -157.226 153.671 PRESSAVG: 1995800 39.7776 31.491 -38.605 31.4911 -21.1394 -43.3729 -38.605 -43.3729 -6.83103 GPRESSAVG: 1995800 40.3379 30.4933 -39.0026 33.3293 -22.2947 -43.7438 -38.5497 -47.5121 -6.24101 TIMING: 1995800 CPU: 6382.47, 0.00315288/step Wall: 6382.47, 0.00315288/step, 2.63108 hours remaining, 233.746094 MB of memory in use. ENERGY: 1995800 3904.5470 20497.0794 14533.3016 254.5700 -203608.5535 2606.7557 0.0000 0.0000 51881.8420 -109930.4579 298.1657 -161812.2999 -109582.6317 298.3577 -129.1487 -105.5306 760539.3201 3.9357 3.9341 PRESSURE: 1996000 -223.43 -79.8093 -47.0837 -79.8086 -398.544 45.7074 -47.0829 45.7071 -7.55273 GPRESSURE: 1996000 -186.767 -203.186 49.3587 -86.9367 -265.184 40.3835 -179.762 30.4866 -98.1822 PRESSAVG: 1996000 7.16921 5.47779 -4.26696 5.47778 -14.2408 7.78632 -4.26696 7.78629 5.95584 GPRESSAVG: 1996000 6.8639 4.06146 -2.71101 5.35691 -13.9029 7.24969 -5.19726 8.444 5.8795 TIMING: 1996000 CPU: 6383.1, 0.0031321/step Wall: 6383.1, 0.0031321/step, 2.61357 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1996000 3939.3992 20422.4296 14485.1413 246.9110 -203215.2353 2296.3209 0.0000 0.0000 51882.3637 -109942.6696 298.1687 -161825.0334 -109579.0108 297.9371 -209.8422 -183.3778 761398.0759 -0.3719 -0.3865 PRESSURE: 1996200 308.415 -12.8754 165.351 -12.8753 -9.92374 -23.2671 165.351 -23.2655 -7.56869 GPRESSURE: 1996200 304.594 -68.5738 158.451 -67.2541 40.5142 -35.3842 160.229 -148.599 27.551 PRESSAVG: 1996200 17.0014 7.61618 7.19109 7.61621 -18.325 28.9928 7.19117 28.9928 -9.01568 GPRESSAVG: 1996200 16.617 7.86108 7.9446 6.27448 -17.9401 29.4371 6.10782 28.4924 -8.86238 TIMING: 1996200 CPU: 6383.73, 0.00313807/step Wall: 6383.73, 0.00313807/step, 2.61837 hours remaining, 233.746094 MB of memory in use. ENERGY: 1996200 4000.4622 20337.7799 14485.5482 234.6761 -203562.2764 2510.3666 0.0000 0.0000 51944.1075 -110049.3358 298.5235 -161993.4433 -109680.8376 298.6148 96.9742 124.2198 759789.0207 -3.4464 -3.3951 LDB: ============= START OF LOAD BALANCING ============== 6396.15 LDB: ============== END OF LOAD BALANCING =============== 6396.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6396.15 LDB: ============= START OF LOAD BALANCING ============== 6396.46 LDB: Largest compute 7031 load 0.032805 is 16.8% of average load 0.195423 LDB: Average compute 0.004389 is 2.2% of average load 0.195423 LDB: TIME 6396.47 LOAD: AVG 0.195423 MAX 0.215945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.652 MB LDB: TIME 6396.47 LOAD: AVG 0.195423 MAX 0.215945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 6396.47 LOAD: AVG 0.195423 MAX 0.215945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 6396.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6396.48 PRESSURE: 1996400 46.8375 -154.085 -102.056 -154.085 -37.4384 102.141 -102.056 102.141 -359.208 GPRESSURE: 1996400 134.844 -160.545 -58.962 -103.282 -49.9319 182.992 -28.2355 27.7619 -335.73 PRESSAVG: 1996400 19.568 -15.9421 -8.18539 -15.9421 -21.5042 11.9109 -8.18548 11.911 2.38472 GPRESSAVG: 1996400 19.6372 -15.7186 -9.17816 -15.8262 -21.1291 12.1949 -5.82152 13.2906 2.06527 TIMING: 1996400 CPU: 6384.37, 0.00321914/step Wall: 6384.37, 0.00321914/step, 2.68584 hours remaining, 233.421875 MB of memory in use. ENERGY: 1996400 3908.4448 20469.1093 14493.2604 236.1067 -203333.1429 2478.3042 0.0000 0.0000 51673.2159 -110074.7016 296.9667 -161747.9175 -109711.3579 298.0259 -116.6031 -83.6060 761537.4536 0.1495 0.1911 PRESSURE: 1996600 -34.8312 -238.583 -116.05 -238.583 -342.746 5.32803 -116.049 5.32879 134.322 GPRESSURE: 1996600 -4.63372 -142.637 -51.372 -115.878 -284.982 -41.1572 -251.826 51.1301 121.215 PRESSAVG: 1996600 -34.2961 5.64078 6.68588 5.64082 -4.72596 -25.5082 6.68594 -25.5083 15.1168 GPRESSAVG: 1996600 -33.5135 5.49859 6.9124 5.64981 -6.41987 -26.967 3.44921 -24.5257 15.6682 TIMING: 1996600 CPU: 6385, 0.00315405/step Wall: 6385, 0.00315405/step, 2.63136 hours remaining, 233.625000 MB of memory in use. ENERGY: 1996600 3942.5948 20355.3229 14531.9749 243.8694 -203760.9005 2825.7340 0.0000 0.0000 51798.6864 -110062.7181 297.6878 -161861.4045 -109717.0583 297.9072 -81.0850 -56.1337 761053.6963 -7.9684 -8.0884 PRESSURE: 1996800 57.7587 -158.762 48.9383 -158.762 -136.095 45.9765 48.939 45.9763 85.6185 GPRESSURE: 1996800 123.388 -45.4512 59.9541 -162.474 -196.923 14.601 87.7037 32.6547 175.795 PRESSAVG: 1996800 68.8464 -13.8343 -20.0533 -13.8342 -13.2846 -7.37531 -20.0533 -7.3753 18.8082 GPRESSAVG: 1996800 69.8657 -14.5673 -20.9428 -14.1955 -14.6679 -4.51585 -17.8769 -7.19965 19.3657 TIMING: 1996800 CPU: 6385.63, 0.00312659/step Wall: 6385.63, 0.00312659/step, 2.60827 hours remaining, 233.625000 MB of memory in use. ENERGY: 1996800 3960.0503 20491.6086 14519.8593 240.7533 -203578.7307 2512.6348 0.0000 0.0000 51882.9513 -109970.8730 298.1720 -161853.8243 -109608.4709 297.9977 2.4273 34.0867 761707.4510 24.7900 24.8545 PRESSURE: 1997000 -55.8039 -80.3323 85.9318 -80.3325 48.5794 236.98 85.9328 236.979 52.6638 GPRESSURE: 1997000 -102.219 -74.0626 103.558 -43.2045 211.437 99.5916 87.4441 180.025 5.27657 PRESSAVG: 1997000 6.28956 -27.7346 -26.5253 -27.7347 -39.2632 3.70241 -26.5253 3.70238 7.34788 GPRESSAVG: 1997000 4.55733 -26.2573 -25.6215 -26.978 -37.7713 1.34479 -25.8676 4.80346 7.41721 TIMING: 1997000 CPU: 6386.26, 0.00316056/step Wall: 6386.26, 0.00316056/step, 2.63644 hours remaining, 233.625000 MB of memory in use. ENERGY: 1997000 3989.1733 20481.4738 14509.4687 233.3311 -203810.8653 2887.8766 0.0000 0.0000 51879.5158 -109830.0261 298.1523 -161709.5419 -109471.1822 298.4961 15.1464 38.1649 760596.0233 -8.5419 -8.5989 PRESSURE: 1997200 307.738 -66.5539 -4.75666 -66.5537 -156.25 9.69612 -4.75731 9.69581 -269.366 GPRESSURE: 1997200 246.751 -46.6195 -18.842 -49.836 -84.4406 57.5475 2.88948 110.091 -207.333 PRESSAVG: 1997200 -32.0747 19.7915 -16.2353 19.7915 9.63622 -21.6349 -16.2354 -21.6348 -5.26424 GPRESSAVG: 1997200 -30.796 19.649 -20.1492 18.0709 9.98332 -19.5113 -16.3948 -23.8919 -6.4961 TIMING: 1997200 CPU: 6386.89, 0.00313766/step Wall: 6386.89, 0.00313766/step, 2.61716 hours remaining, 233.625000 MB of memory in use. ENERGY: 1997200 3934.4207 20529.5911 14489.1900 244.8688 -203564.8727 2840.8298 0.0000 0.0000 51925.5010 -109600.4712 298.4166 -161525.9722 -109250.7428 298.3487 -39.2927 -15.0077 761146.0111 -9.2343 -9.1029 PRESSURE: 1997400 -166.065 0.491389 -34.52 0.49222 -50.0241 -107.999 -34.5198 -107.999 -457.886 GPRESSURE: 1997400 -153.031 -129.173 -52.1679 72.2754 -51.7626 -63.9134 -24.069 -121.079 -378.473 PRESSAVG: 1997400 -58.0835 -21.2611 59.8065 -21.2611 31.9553 28.1137 59.8065 28.1137 1.08072 GPRESSAVG: 1997400 -58.909 -21.5671 62.6524 -17.995 31.796 28.7566 58.2729 27.2918 1.97903 TIMING: 1997400 CPU: 6387.52, 0.00315689/step Wall: 6387.52, 0.00315689/step, 2.63302 hours remaining, 233.625000 MB of memory in use. ENERGY: 1997400 3932.8743 20394.4859 14491.9926 251.1096 -203405.4373 2475.8909 0.0000 0.0000 52154.9905 -109704.0935 299.7354 -161859.0840 -109342.2312 298.6969 -224.6583 -194.4221 761093.8031 -8.3492 -8.3780 PRESSURE: 1997600 -111.235 14.9093 54.2486 14.9098 -211.969 -161.31 54.249 -161.311 -275.574 GPRESSURE: 1997600 -147.988 -11.907 104.009 29.4177 -70.7902 -80.6056 -11.8832 -191.55 -293.753 PRESSAVG: 1997600 -32.7027 -40.4772 -20.1232 -40.4771 23.9361 7.23902 -20.1232 7.23896 14.043 GPRESSAVG: 1997600 -33.2268 -39.9536 -20.5806 -43.5412 25.2907 4.66792 -18.3453 10.246 13.5189 TIMING: 1997600 CPU: 6388.14, 0.00312615/step Wall: 6388.14, 0.00312615/step, 2.60721 hours remaining, 233.625000 MB of memory in use. ENERGY: 1997600 4022.4930 20525.9434 14449.0615 238.2991 -203650.5911 2746.5587 0.0000 0.0000 52041.8057 -109626.4297 299.0850 -161668.2354 -109264.3306 298.9265 -199.5924 -170.8438 760481.8735 1.7588 1.8609 PRESSURE: 1997800 -172.647 -144.471 -39.6006 -144.472 -4.35285 -64.109 -39.6011 -64.1092 -63.5262 GPRESSURE: 1997800 -16.8881 -254.098 26.8929 -107.397 -75.3406 -75.9361 7.40037 -36.8918 -53.5821 PRESSAVG: 1997800 -61.5885 -9.21647 -20.9052 -9.21652 28.3397 -27.0036 -20.9052 -27.0036 23.6478 GPRESSAVG: 1997800 -60.6391 -11.0579 -19.6227 -5.87476 27.7152 -25.3779 -19.5896 -26.2965 23.8463 TIMING: 1997800 CPU: 6388.77, 0.00312801/step Wall: 6388.77, 0.00312801/step, 2.60859 hours remaining, 233.625000 MB of memory in use. ENERGY: 1997800 4038.6493 20384.9164 14463.3361 268.2641 -203487.4039 2675.0752 0.0000 0.0000 52059.2797 -109597.8830 299.1854 -161657.1627 -109237.6381 298.7130 -80.1753 -48.6036 761347.0680 -3.2003 -3.0259 PRESSURE: 1998000 -246.074 107.148 -80.6213 107.148 169.17 323.133 -80.6212 323.134 -225.297 GPRESSURE: 1998000 -141.779 262.698 -113.34 68.1363 176.489 271.878 -126.599 376.334 -254.679 PRESSAVG: 1998000 -41.0442 -0.683979 -38.0378 -0.684007 73.2346 45.9587 -38.0378 45.9588 8.02056 GPRESSAVG: 1998000 -40.2016 -0.465395 -38.7245 -2.89992 73.327 46.4607 -40.9658 41.7227 6.46637 TIMING: 1998000 CPU: 6389.4, 0.00314332/step Wall: 6389.4, 0.00314332/step, 2.62118 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1998000 4017.2462 20603.6381 14494.6352 253.0199 -203426.4365 2599.5534 0.0000 0.0000 51967.6107 -109490.7329 298.6586 -161458.3437 -109131.0152 299.2621 -100.7333 -73.3229 760531.9543 13.4036 13.1972 PRESSURE: 1998200 -135.714 -52.404 77.7195 -52.4049 -129.167 -108.205 77.7194 -108.204 44.8896 GPRESSURE: 1998200 -122.61 -9.55679 168.178 -89.1745 -101.888 -206.488 143.666 -168.656 81.0975 PRESSAVG: 1998200 -15.3256 -31.4168 -41.8397 -31.4168 -17.2673 42.6357 -41.8396 42.6359 -17.2042 GPRESSAVG: 1998200 -14.9185 -30.9654 -41.9162 -29.5652 -18.6843 40.6216 -40.473 46.5916 -15.9566 TIMING: 1998200 CPU: 6390.03, 0.0031483/step Wall: 6390.03, 0.0031483/step, 2.62516 hours remaining, 233.625000 MB of memory in use. ENERGY: 1998200 3995.8357 20532.6262 14560.0946 262.5637 -203218.7590 2329.5716 0.0000 0.0000 52175.3231 -109362.7442 299.8523 -161538.0672 -108996.6004 299.5122 -73.3304 -47.8002 759706.0755 -16.5990 -16.5198 PRESSURE: 1998400 -162.119 -5.63578 232.909 -5.63486 -189.51 -122.878 232.908 -122.878 -359.284 GPRESSURE: 1998400 -47.4697 -34.3514 145.28 -50.6249 -237.445 -48.7448 320.276 -44.1647 -314.199 PRESSAVG: 1998400 -45.3138 31.6311 -7.5382 31.631 3.72625 -24.5841 -7.5382 -24.5841 28.5818 GPRESSAVG: 1998400 -45.6848 32.4921 -8.45476 30.6815 4.16095 -22.1344 -7.1728 -27.4559 28.3812 TIMING: 1998400 CPU: 6390.65, 0.0031386/step Wall: 6390.65, 0.0031386/step, 2.61689 hours remaining, 233.625000 MB of memory in use. ENERGY: 1998400 4043.6229 20542.3176 14430.5073 241.0662 -203488.4818 2677.5907 0.0000 0.0000 52137.2531 -109416.1240 299.6335 -161553.3771 -109049.1865 299.6715 -236.9707 -199.7046 760012.4875 -4.3352 -4.3809 PRESSURE: 1998600 -201.709 29.0196 -245.383 29.0197 -92.9714 117.469 -245.383 117.469 71.5277 GPRESSURE: 1998600 -120.825 168.783 -311.595 -11.1326 -106.589 134.514 -114.768 182.522 95.0747 PRESSAVG: 1998600 16.4919 -8.21237 29.5576 -8.21239 -21.4196 -33.6752 29.5576 -33.6752 8.15489 GPRESSAVG: 1998600 15.4616 -7.51781 30.4608 -8.57292 -21.0744 -34.8115 29.1845 -34.4167 8.89734 TIMING: 1998600 CPU: 6391.28, 0.00314858/step Wall: 6391.28, 0.00314858/step, 2.62504 hours remaining, 233.625000 MB of memory in use. ENERGY: 1998600 3943.1763 20558.5666 14518.1330 258.7313 -203309.1866 2355.7975 0.0000 0.0000 52290.1886 -109384.5933 300.5124 -161674.7819 -109024.0140 299.5448 -74.3842 -44.1132 760585.1160 1.0757 1.0948 PRESSURE: 1998800 -172.556 -22.0404 257.87 -22.0403 29.3748 155.313 257.871 155.314 -570.03 GPRESSURE: 1998800 -193.678 -62.8161 256.293 -21.9521 111.134 75.1083 217.419 62.6838 -525.952 PRESSAVG: 1998800 -29.7665 -67.8034 -52.5667 -67.8034 24.0871 47.5947 -52.5667 47.5947 -29.0333 GPRESSAVG: 1998800 -30.0813 -71.2195 -51.1239 -65.5436 24.6373 47.5799 -52.817 49.4333 -29.408 TIMING: 1998800 CPU: 6391.91, 0.00315853/step Wall: 6391.91, 0.00315853/step, 2.63317 hours remaining, 233.625000 MB of memory in use. ENERGY: 1998800 4037.4036 20378.0819 14480.0793 260.9062 -203107.2910 2429.1093 0.0000 0.0000 52144.4930 -109377.2177 299.6751 -161521.7107 -109014.9193 299.5611 -237.7371 -202.8324 761531.4033 -11.5709 -11.6174 PRESSURE: 1999000 -282.627 21.5502 90.1168 21.5503 -182.962 -244.97 90.1169 -244.97 -227.659 GPRESSURE: 1999000 -277.301 -14.2183 19.5621 24.6894 -104.553 -313.25 101.307 -237.765 -226.246 PRESSAVG: 1999000 -31.1627 -11.5032 -4.51344 -11.5032 17.3465 -20.7962 -4.51345 -20.7962 19.0543 GPRESSAVG: 1999000 -31.1456 -7.80615 -6.02686 -13.8584 16.6946 -20.6667 -4.47267 -21.8428 19.1279 TIMING: 1999000 CPU: 6392.55, 0.00315048/step Wall: 6392.55, 0.00315048/step, 2.62627 hours remaining, 233.625000 MB of memory in use. ENERGY: 1999000 4000.9503 20448.1695 14425.4526 238.4477 -202792.5760 2197.4557 0.0000 0.0000 51829.8850 -109652.2153 297.8671 -161482.1003 -109286.5226 299.2134 -231.0826 -202.6999 761582.1226 1.7461 1.5590 PRESSURE: 1999200 -60.032 68.2806 -184.972 68.2805 -74.4434 -42.7496 -184.972 -42.751 14.6285 GPRESSURE: 1999200 -15.9602 -66.6013 -192.101 3.23152 -19.5616 0.849824 -74.8333 -7.95463 8.51967 PRESSAVG: 1999200 32.8544 -0.585094 20.5782 -0.585014 -60.6699 -47.4369 20.5782 -47.4369 21.2597 GPRESSAVG: 1999200 34.311 -0.691793 19.0631 -1.93198 -62.0077 -46.975 21.3182 -47.089 20.6642 TIMING: 1999200 CPU: 6393.17, 0.00314424/step Wall: 6393.17, 0.00314424/step, 2.6209 hours remaining, 233.625000 MB of memory in use. ENERGY: 1999200 3952.9284 20342.0385 14501.5576 237.6326 -203479.7125 2470.0072 0.0000 0.0000 52036.0640 -109939.4841 299.0520 -161975.5481 -109580.9869 298.7529 -39.9490 -9.0007 760070.0723 -2.1853 -2.3442 PRESSURE: 1999400 -250.841 47.8044 34.6914 47.8037 -92.6291 42.481 34.6912 42.4818 156.29 GPRESSURE: 1999400 -255.066 93.8497 22.8412 -48.7961 -32.6183 18.7647 55.9378 63.4765 191.209 PRESSAVG: 1999400 -10.4585 3.9685 5.28925 3.96848 -30.26 -25.637 5.28922 -25.637 -0.350748 GPRESSAVG: 1999400 -11.6264 1.44293 7.5051 6.29871 -28.4608 -26.1204 4.07601 -25.9161 -0.423492 TIMING: 1999400 CPU: 6393.81, 0.00316309/step Wall: 6393.81, 0.00316309/step, 2.63644 hours remaining, 233.625000 MB of memory in use. ENERGY: 1999400 3952.3933 20511.2864 14525.9736 238.5132 -203650.8640 2562.1866 0.0000 0.0000 52050.9871 -109809.5238 299.1377 -161860.5109 -109445.8770 299.0343 -62.3932 -32.1583 759831.5250 -13.6897 -13.5036 PRESSURE: 1999600 144.934 -42.8232 102.127 -42.8238 401.857 82.8917 102.126 82.8922 -106.479 GPRESSURE: 1999600 114.107 -37.4177 -3.16222 115.81 461.438 85.3967 83.3196 124.805 -69.9311 PRESSAVG: 1999600 10.3986 48.8351 4.32076 48.8351 -32.9279 32.5159 4.32075 32.5159 2.10494 GPRESSAVG: 1999600 10.0356 50.2487 4.40383 49.5282 -34.6008 30.6948 4.32614 32.4236 3.57679 TIMING: 1999600 CPU: 6394.44, 0.00315974/step Wall: 6394.44, 0.00315974/step, 2.63347 hours remaining, 233.625000 MB of memory in use. ENERGY: 1999600 3978.4186 20332.5618 14478.7369 235.5979 -204229.2644 2887.9117 0.0000 0.0000 52601.9299 -109714.1076 302.3040 -162316.0375 -109357.9046 299.3127 146.7706 168.5380 758722.3237 -6.8081 -6.9961 PRESSURE: 1999800 -104.172 56.2971 -40.6487 56.2972 490.538 -45.9487 -40.6496 -45.9492 195.338 GPRESSURE: 1999800 5.61995 12.9875 -52.5878 23.5741 436.441 -85.0356 25.1008 -47.0799 210.057 PRESSAVG: 1999800 22.7459 29.2605 34.1327 29.2604 -4.88275 -26.9342 34.1327 -26.9342 10.8645 GPRESSAVG: 1999800 23.1002 27.9422 31.8249 27.2539 -4.5875 -25.4956 35.0453 -25.4178 10.0224 TIMING: 1999800 CPU: 6395.07, 0.00314318/step Wall: 6395.07, 0.00314318/step, 2.61949 hours remaining, 233.625000 MB of memory in use. ENERGY: 1999800 3995.8651 20394.0823 14567.2276 242.1983 -203585.9798 2563.8831 0.0000 0.0000 51821.9506 -110000.7729 297.8215 -161822.7235 -109635.1003 298.7507 193.9013 217.3726 759245.1761 9.5759 9.5117 WRITING COORDINATES TO DCD FILE MD.4.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: 2000000 -34.185 -37.903 -56.4553 -37.903 -1.65937 73.5277 -56.4544 73.5282 -35.5591 GPRESSURE: 2000000 -9.09206 -11.8411 39.3293 6.60367 6.95515 40.2749 -58.6911 9.80973 24.1256 PRESSAVG: 2000000 8.25491 -0.0478324 35.8402 -0.0478742 -10.672 29.9027 35.8402 29.9028 -13.4576 GPRESSAVG: 2000000 8.08485 2.13153 38.2219 1.34594 -10.393 29.8035 33.2017 27.1247 -13.3511 TIMING: 2000000 CPU: 6395.72, 0.00323978/step Wall: 6395.72, 0.00323978/step, 2.69982 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000000 3992.4933 20375.3419 14503.8019 223.4252 -203577.0160 2575.8828 0.0000 0.0000 51887.8744 -110018.1965 298.2003 -161906.0709 -109661.9071 298.2025 -23.8011 7.3296 758289.1247 -5.2915 -5.2197 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 PRESSURE: 2000200 -204.935 102.244 63.1229 102.244 -127.009 -157.263 63.1224 -157.265 -23.0331 GPRESSURE: 2000200 -163.145 23.3355 163.738 112.094 11.8463 -109.754 27.2813 -112.136 -127.001 PRESSAVG: 2000200 7.95924 18.2838 -12.8199 18.2837 -6.79378 33.283 -12.8199 33.283 4.3706 GPRESSAVG: 2000200 7.86899 17.1779 -12.8365 17.7393 -6.17113 32.8634 -10.2485 34.4909 4.30914 TIMING: 2000200 CPU: 6396.35, 0.00315647/step Wall: 6396.35, 0.00315647/step, 2.63022 hours remaining, 233.750000 MB of memory in use. ENERGY: 2000200 3967.4554 20392.3520 14348.9938 236.4142 -203505.5138 2601.0217 0.0000 0.0000 51986.2447 -109973.0320 298.7657 -161959.2767 -109611.9337 298.8932 -118.3258 -92.7666 759744.5053 1.8454 2.0023 LDB: ============= START OF LOAD BALANCING ============== 6408.77 LDB: ============== END OF LOAD BALANCING =============== 6408.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6408.77 LDB: ============= START OF LOAD BALANCING ============== 6409.08 LDB: Largest compute 7078 load 0.032658 is 16.7% of average load 0.195610 LDB: Average compute 0.004398 is 2.2% of average load 0.195610 LDB: TIME 6409.08 LOAD: AVG 0.19561 MAX 0.215308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.289 MB LDB: TIME 6409.09 LOAD: AVG 0.19561 MAX 0.215308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.293 MB LDB: TIME 6409.09 LOAD: AVG 0.19561 MAX 0.215308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.293 MB LDB: ============== END OF LOAD BALANCING =============== 6409.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6409.09 PRESSURE: 2000400 -4.13849 -305.102 82.3057 -305.102 -52.7285 166.037 82.3059 166.036 410.652 GPRESSURE: 2000400 31.5361 -318.731 156.765 -200.271 36.4751 130.755 -107.45 106.748 377.99 PRESSAVG: 2000400 -24.2598 -49.5599 33.1845 -49.5598 -5.89327 41.0802 33.1845 41.0802 -3.10548 GPRESSAVG: 2000400 -23.9759 -48.4356 32.6597 -47.3566 -6.48788 41.3237 31.4568 40.894 -2.63132 TIMING: 2000400 CPU: 6396.99, 0.00319877/step Wall: 6396.99, 0.00319877/step, 2.66529 hours remaining, 231.312500 MB of memory in use. ENERGY: 2000400 4032.0175 20397.4010 14533.2922 238.3575 -203633.4109 2732.3125 0.0000 0.0000 51764.0958 -109935.9344 297.4890 -161700.0302 -109566.0643 298.4100 117.9284 148.6671 760172.3180 -11.0862 -11.0317 PRESSURE: 2000600 183.937 127.358 -75.1635 127.358 136.428 369.178 -75.1632 369.178 557.729 GPRESSURE: 2000600 306.06 66.1492 -107.101 219.107 104.408 292.674 -167.804 311.002 548.747 PRESSAVG: 2000600 -19.9498 15.5852 23.6877 15.5852 37.3578 55.8235 23.6877 55.8235 24.4833 GPRESSAVG: 2000600 -19.1285 16.2718 24.0644 12.7501 37.1464 53.9584 23.4023 55.6998 24.035 TIMING: 2000600 CPU: 6397.61, 0.00313415/step Wall: 6397.61, 0.00313415/step, 2.61127 hours remaining, 231.515625 MB of memory in use. ENERGY: 2000600 3871.7673 20484.3029 14394.5583 239.9792 -203767.1137 2712.2747 0.0000 0.0000 52120.7221 -109943.5092 299.5385 -162064.2313 -109578.4031 298.5364 292.6980 319.7381 759636.4797 13.9638 14.0176 PRESSURE: 2000800 387.911 43.9438 -78.1533 43.9445 83.4239 63.0621 -78.1536 63.062 60.4015 GPRESSURE: 2000800 371.295 -89.728 30.3769 35.2831 104.929 -9.02921 34.8958 80.2337 138.041 PRESSAVG: 2000800 -28.5189 -33.7089 -0.695794 -33.7089 14.0954 -4.8016 -0.695764 -4.80158 0.501753 GPRESSAVG: 2000800 -28.8413 -35.8559 -2.30454 -32.346 13.8257 -2.79539 0.339722 -3.53834 1.67592 TIMING: 2000800 CPU: 6398.24, 0.00312386/step Wall: 6398.24, 0.00312386/step, 2.60252 hours remaining, 231.515625 MB of memory in use. ENERGY: 2000800 3957.9257 20449.4445 14543.5836 252.9322 -203546.9623 2617.8224 0.0000 0.0000 51840.9849 -109884.2691 297.9309 -161725.2540 -109526.2087 298.9201 177.2453 204.7551 762071.5056 -4.6406 -4.4465 PRESSURE: 2001000 -350.641 -47.7114 -14.6955 -47.7118 -271.624 20.7473 -14.6947 20.7477 126.408 GPRESSURE: 2001000 -278.466 -58.9606 3.4649 -72.2027 -189.271 57.9601 42.1301 -72.0343 48.2857 PRESSAVG: 2001000 -14.4696 -64.4886 25.061 -64.4886 12.8971 24.1117 25.0611 24.1117 -3.9427 GPRESSAVG: 2001000 -13.691 -64.0231 25.9463 -64.4681 13.4474 24.3985 24.9394 22.4361 -5.47756 TIMING: 2001000 CPU: 6398.87, 0.00314122/step Wall: 6398.87, 0.00314123/step, 2.61682 hours remaining, 231.515625 MB of memory in use. ENERGY: 2001000 3931.4976 20285.9139 14530.7197 241.9239 -203821.4761 2656.6326 0.0000 0.0000 52210.7073 -109964.0811 300.0557 -162174.7884 -109587.4584 298.0178 -165.2857 -139.8172 762001.7494 -1.8384 -1.9071 PRESSURE: 2001200 238.489 12.4046 -120.386 12.4049 15.3514 38.1339 -120.386 38.1336 142.697 GPRESSURE: 2001200 273.177 -11.3756 -118.135 134.029 106.091 -50.2234 -55.0678 26.6066 117.23 PRESSAVG: 2001200 5.73264 5.27782 33.2783 5.27777 11.1621 13.0576 33.2782 13.0576 11.5061 GPRESSAVG: 2001200 5.65179 6.78049 31.2352 3.73615 11.7613 12.0048 33.9747 15.7196 10.8318 TIMING: 2001200 CPU: 6399.49, 0.00314453/step Wall: 6399.49, 0.00314453/step, 2.61939 hours remaining, 231.515625 MB of memory in use. ENERGY: 2001200 4060.8528 20347.6821 14525.8925 268.7144 -203468.7608 2586.6271 0.0000 0.0000 51683.8754 -109995.1166 297.0279 -161678.9920 -109636.8196 298.2049 132.1789 165.4991 759567.5164 9.4669 9.4150 PRESSURE: 2001400 -97.8018 -164.465 -167.333 -164.464 -39.9766 83.2046 -167.334 83.2052 -42.127 GPRESSURE: 2001400 -28.2017 -26.9252 -132.399 27.1564 -27.679 89.8467 -163.289 75.0907 -27.1343 PRESSAVG: 2001400 6.98016 -6.82429 7.49663 -6.82427 -16.1364 -18.0471 7.49668 -18.0472 2.5666 GPRESSAVG: 2001400 6.2045 -6.32959 9.91229 -4.28841 -16.1221 -16.3434 5.76301 -20.8129 3.56373 TIMING: 2001400 CPU: 6400.12, 0.0031351/step Wall: 6400.12, 0.0031351/step, 2.61136 hours remaining, 231.515625 MB of memory in use. ENERGY: 2001400 3943.0120 20515.5024 14489.0445 265.8079 -204004.1350 2804.5582 0.0000 0.0000 52052.3863 -109933.8238 299.1458 -161986.2101 -109577.7703 298.1431 -59.9685 -27.6716 759812.8890 -2.1965 -2.1180 PRESSURE: 2001600 -205.549 393.078 -155.23 393.077 112.309 265.583 -155.23 265.583 94.4224 GPRESSURE: 2001600 -179.311 360.156 -167.503 210.973 183.591 264.823 -22.6731 310.341 92.9095 PRESSAVG: 2001600 -10.2229 1.07265 -1.80178 1.07271 11.7025 -23.9467 -1.80174 -23.9467 9.10831 GPRESSAVG: 2001600 -9.68613 0.540555 -2.88784 0.422387 10.7529 -24.9322 0.419082 -22.6258 9.22774 TIMING: 2001600 CPU: 6400.75, 0.00315475/step Wall: 6400.75, 0.00315475/step, 2.62756 hours remaining, 231.515625 MB of memory in use. ENERGY: 2001600 3987.4344 20438.3953 14542.1421 271.2312 -203959.0603 2877.7092 0.0000 0.0000 51933.0623 -109909.0858 298.4600 -161842.1481 -109548.3482 298.7790 0.3942 32.3967 760328.1867 3.5293 3.4315 PRESSURE: 2001800 128.672 43.918 121.251 43.9181 -299.226 105.672 121.251 105.671 -67.3877 GPRESSURE: 2001800 105.672 10.6877 74.0392 -41.9962 -206.789 175.295 73.5922 -76.2307 -55.3097 PRESSAVG: 2001800 43.7208 -30.762 -48.9968 -30.762 -66.7702 24.2843 -48.9968 24.2843 -3.62982 GPRESSAVG: 2001800 42.8602 -32.186 -49.1363 -31.6974 -65.7631 25.9338 -48.7255 21.6369 -3.15995 TIMING: 2001800 CPU: 6401.39, 0.00317371/step Wall: 6401.39, 0.00317371/step, 2.64317 hours remaining, 231.515625 MB of memory in use. ENERGY: 2001800 3934.6782 20572.6494 14513.2102 251.2882 -203261.3282 2421.9680 0.0000 0.0000 51918.4777 -109649.0564 298.3762 -161567.5341 -109285.7896 298.8652 -79.3138 -52.1423 762050.5076 -8.8931 -8.6876 PRESSURE: 2002000 181.196 -60.4411 -80.1846 -60.4416 63.6009 -35.3071 -80.1847 -35.3077 254.68 GPRESSURE: 2002000 82.0658 -76.6988 -73.6989 -31.1662 201.154 -3.24325 -66.5629 73.8955 281.989 PRESSAVG: 2002000 -1.34684 -17.0541 8.65409 -17.0542 -27.3197 -15.5114 8.65409 -15.5113 -5.37176 GPRESSAVG: 2002000 -1.62421 -16.4796 8.70161 -18.4266 -28.0151 -17.8534 6.54831 -13.6745 -4.45317 TIMING: 2002000 CPU: 6402.02, 0.00316334/step Wall: 6402.02, 0.00316334/step, 2.63436 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2002000 3917.6545 20667.9234 14520.8369 236.0283 -203599.8047 2556.6508 0.0000 0.0000 51836.3474 -109864.3634 297.9042 -161700.7108 -109516.2836 298.4388 166.4922 188.4029 760180.8557 -11.3461 -11.3641 PRESSURE: 2002200 37.169 -177.931 -42.6213 -177.932 9.18968 158.091 -42.6203 158.09 191.054 GPRESSURE: 2002200 96.5251 -175.727 -21.6711 -47.1551 -6.86531 173.572 31.2016 158.716 214.196 PRESSAVG: 2002200 -42.8468 -25.2359 -13.3432 -25.236 43.0782 19.5485 -13.3433 19.5485 13.4003 GPRESSAVG: 2002200 -41.3686 -23.8637 -13.688 -21.8577 42.5282 21.3029 -12.5413 18.8462 12.5912 TIMING: 2002200 CPU: 6402.65, 0.0031378/step Wall: 6402.65, 0.0031378/step, 2.61292 hours remaining, 231.515625 MB of memory in use. ENERGY: 2002200 3959.2638 20533.1333 14498.9468 245.1685 -203534.9413 2431.0489 0.0000 0.0000 52153.0630 -109714.3169 299.7244 -161867.3799 -109351.0460 298.7570 79.1376 101.2854 760728.4268 4.5439 4.5836 PRESSURE: 2002400 -303.199 20.7521 -20.8976 20.7527 -66.7069 26.4827 -20.8971 26.4827 283.031 GPRESSURE: 2002400 -216.496 24.1644 -43.8555 -70.2948 43.0322 98.085 -41.94 -59.1301 160.141 PRESSAVG: 2002400 -9.63266 14.2845 20.7679 14.2845 11.3297 -4.07897 20.7679 -4.07904 8.72939 GPRESSAVG: 2002400 -10.4731 12.232 20.8818 14.154 12.786 -4.42194 22.8068 -4.19537 8.17233 TIMING: 2002400 CPU: 6403.27, 0.00312166/step Wall: 6403.27, 0.00312166/step, 2.5993 hours remaining, 231.515625 MB of memory in use. ENERGY: 2002400 3946.4552 20506.1878 14546.6514 238.9737 -203436.9033 2347.8878 0.0000 0.0000 52453.0551 -109397.6923 301.4484 -161850.7474 -109029.4913 299.3643 -28.9582 -4.4410 760320.2829 3.4755 3.4951 PRESSURE: 2002600 42.757 -126.536 5.04148 -126.536 163.152 -291.392 5.04135 -291.391 42.6814 GPRESSURE: 2002600 137.967 -217.301 -60.1114 -13.5849 140.416 -296.996 105.835 -219.354 43.1802 PRESSAVG: 2002600 45.9355 -10.1549 35.1744 -10.1549 -32.3376 11.6787 35.1744 11.6787 2.88987 GPRESSAVG: 2002600 46.898 -9.29057 35.5016 -12.4726 -34.7279 10.154 33.6911 13.4058 4.78261 TIMING: 2002600 CPU: 6403.9, 0.00311692/step Wall: 6403.9, 0.00311692/step, 2.59518 hours remaining, 231.515625 MB of memory in use. ENERGY: 2002600 3929.4686 20552.9993 14433.7050 262.5224 -203096.2090 2253.9354 0.0000 0.0000 52145.6101 -109517.9681 299.6815 -161663.5783 -109156.3014 299.9898 82.8635 107.1877 760556.3784 5.4959 5.6509 PRESSURE: 2002800 -163.943 -209.546 -29.8729 -209.546 200.576 -63.8029 -29.8724 -63.802 88.0514 GPRESSURE: 2002800 -89.0639 -73.8119 -83.5427 -214.512 194.08 -176.241 44.0971 -127.162 119.248 PRESSAVG: 2002800 5.08093 27.8972 -29.723 27.8972 -31.5013 -59.7199 -29.7229 -59.7199 -0.629414 GPRESSAVG: 2002800 4.81845 28.0717 -29.1296 29.7722 -30.47 -57.378 -29.1834 -60.6521 -1.26062 TIMING: 2002800 CPU: 6404.52, 0.00312458/step Wall: 6404.52, 0.00312458/step, 2.60139 hours remaining, 231.515625 MB of memory in use. ENERGY: 2002800 3984.9248 20578.9946 14427.1969 266.9354 -203486.1121 2541.1113 0.0000 0.0000 52142.8030 -109544.1460 299.6654 -161686.9490 -109186.5540 299.3566 41.5618 74.7548 759642.2299 -9.0166 -8.9707 PRESSURE: 2003000 129.271 -189.471 -63.2335 -189.47 126.064 -10.5935 -63.2343 -10.5927 7.5452 GPRESSURE: 2003000 95.8393 -209.822 -97.9312 -247.335 219.409 -9.24592 -35.7266 -12.1216 18.4879 PRESSAVG: 2003000 4.60609 -53.7975 14.5598 -53.7974 -52.1037 -35.9766 14.5597 -35.9767 -6.20738 GPRESSAVG: 2003000 4.12297 -54.0237 14.118 -52.0791 -52.0693 -37.6487 12.309 -37.1906 -5.9365 TIMING: 2003000 CPU: 6405.14, 0.00312262/step Wall: 6405.14, 0.00312262/step, 2.59958 hours remaining, 231.515625 MB of memory in use. ENERGY: 2003000 3955.3533 20602.1658 14512.4179 272.3549 -203464.9151 2725.3363 0.0000 0.0000 51660.7251 -109736.5618 296.8949 -161397.2868 -109378.7511 298.7443 87.6269 111.2453 761499.2855 -17.9017 -17.9610 PRESSURE: 2003200 -75.1682 97.9484 78.1261 97.9473 122.804 64.234 78.1254 64.2339 -395.362 GPRESSURE: 2003200 -173.444 73.7204 17.0062 100.33 241.908 44.7969 129.84 -45.2392 -322.759 PRESSAVG: 2003200 -4.65519 -7.74788 5.54356 -7.74787 21.66 -51.1729 5.54358 -51.1729 -20.5902 GPRESSAVG: 2003200 -4.60759 -6.66251 6.7998 -11.2617 20.5735 -51.5211 7.60113 -48.491 -19.4592 TIMING: 2003200 CPU: 6405.78, 0.0031547/step Wall: 6405.78, 0.0031547/step, 2.62611 hours remaining, 231.515625 MB of memory in use. ENERGY: 2003200 3988.3562 20587.1576 14535.9899 270.0203 -203447.0504 2577.5008 0.0000 0.0000 51768.9689 -109719.0567 297.5170 -161488.0256 -109357.8636 298.6439 -115.9085 -84.7649 761922.5287 -1.1952 -1.1644 PRESSURE: 2003400 -118.202 147.164 197.445 147.163 60.9519 190.795 197.446 190.795 92.7422 GPRESSURE: 2003400 -15.396 78.952 206.845 34.1813 46.8494 171.246 276.317 50.5087 88.8639 PRESSAVG: 2003400 -62.4165 -5.55168 62.4951 -5.55175 22.5213 -24.6639 62.495 -24.6639 -10.6478 GPRESSAVG: 2003400 -61.8648 -6.07073 62.0953 -4.66631 23.5315 -22.8294 60.8156 -29.1126 -11.79 TIMING: 2003400 CPU: 6406.4, 0.00313623/step Wall: 6406.4, 0.00313623/step, 2.61057 hours remaining, 231.515625 MB of memory in use. ENERGY: 2003400 3988.7517 20567.1589 14516.8406 237.5804 -203824.7552 2552.6646 0.0000 0.0000 52066.2800 -109895.4790 299.2256 -161961.7590 -109533.7292 298.6274 11.8306 40.1057 759924.1855 -16.8476 -16.7078 PRESSURE: 2003600 172.925 -140.653 -5.06255 -140.654 154.184 49.5458 -5.06355 49.545 342.056 GPRESSURE: 2003600 193.175 7.31218 -47.2793 -73.427 279.226 94.9856 17.591 -37.8293 273.067 PRESSAVG: 2003600 8.27082 2.43755 20.058 2.43748 2.59718 39.6274 20.0581 39.6274 8.76241 GPRESSAVG: 2003600 8.59586 1.3176 18.7521 1.78191 2.7695 38.397 20.5814 43.3052 8.17371 TIMING: 2003600 CPU: 6407.03, 0.00313135/step Wall: 6407.03, 0.00313135/step, 2.60633 hours remaining, 231.515625 MB of memory in use. ENERGY: 2003600 3967.1839 20321.1467 14506.4170 226.3464 -203974.5971 2769.2972 0.0000 0.0000 52142.0521 -110042.1537 299.6611 -162184.2058 -109670.6045 298.3961 223.0549 248.4897 757857.0190 6.5435 6.5130 PRESSURE: 2003800 -157.358 -128.13 98.7227 -128.131 -171.263 -70.4649 98.7226 -70.4657 -217.546 GPRESSURE: 2003800 -216.812 -164.505 151.283 -11.5968 -7.16427 -35.2921 -0.7944 -64.4251 -235.162 PRESSAVG: 2003800 22.5298 -79.1216 -50.6783 -79.1216 -35.5702 6.51344 -50.6783 6.51339 20.2758 GPRESSAVG: 2003800 23.3112 -78.0341 -49.7216 -78.1743 -34.8731 7.38295 -50.7067 4.99971 19.1766 TIMING: 2003800 CPU: 6407.66, 0.00313972/step Wall: 6407.66, 0.00313972/step, 2.61312 hours remaining, 231.515625 MB of memory in use. ENERGY: 2003800 3951.5841 20553.5852 14534.9014 244.9100 -203146.1152 2070.6947 0.0000 0.0000 51857.4988 -109932.9410 298.0258 -161790.4398 -109583.3436 297.9599 -182.0555 -153.0458 759671.9509 2.4118 2.5382 PRESSURE: 2004000 -332.964 260.596 -54.704 260.596 -279.675 43.9523 -54.704 43.9526 -330.767 GPRESSURE: 2004000 -335.662 325.887 -59.3539 223.114 -166.821 36.3128 -70.8365 -11.1046 -356.812 PRESSAVG: 2004000 3.84334 4.2064 -4.53019 4.20636 28.2361 33.2631 -4.53024 33.263 8.68493 GPRESSAVG: 2004000 2.25151 2.14343 -5.02901 5.00883 29.0579 33.4709 -3.52904 33.8865 9.59914 TIMING: 2004000 CPU: 6408.29, 0.00315082/step Wall: 6408.29, 0.00315082/step, 2.62218 hours remaining, 231.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2004000 4066.0466 20304.7992 14447.8046 256.1645 -203757.5393 2425.6863 0.0000 0.0000 52228.1369 -110028.9012 300.1558 -162257.0381 -109672.8193 297.8647 -314.4685 -286.4317 760635.1901 13.5881 13.6362 PRESSURE: 2004200 34.2421 179.187 -57.5049 179.187 -149.745 182.097 -57.5055 182.097 109.387 GPRESSURE: 2004200 31.7895 98.1845 -14.2795 223.178 -148.523 214.035 -82.5238 -9.17798 176.976 PRESSAVG: 2004200 21.6052 5.75136 2.40298 5.75138 -41.5702 -6.67762 2.40297 -6.6777 14.7503 GPRESSAVG: 2004200 24.0945 7.70526 2.56932 4.30162 -43.1928 -7.38271 1.49739 -7.28553 13.7149 TIMING: 2004200 CPU: 6408.92, 0.0031382/step Wall: 6408.92, 0.0031382/step, 2.61151 hours remaining, 231.515625 MB of memory in use. ENERGY: 2004200 3917.6379 20593.9808 14459.1288 245.5330 -203712.5669 2564.1364 0.0000 0.0000 52144.1903 -109787.9597 299.6734 -161932.1500 -109430.5062 298.4300 -2.0385 20.0810 761326.4361 -1.7382 -1.7945 LDB: ============= START OF LOAD BALANCING ============== 6421.34 LDB: ============== END OF LOAD BALANCING =============== 6421.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6421.34 LDB: ============= START OF LOAD BALANCING ============== 6421.65 LDB: Largest compute 7031 load 0.034896 is 17.9% of average load 0.195446 LDB: Average compute 0.004418 is 2.3% of average load 0.195446 LDB: TIME 6421.66 LOAD: AVG 0.195446 MAX 0.217462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 6421.66 LOAD: AVG 0.195446 MAX 0.217462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.379 MB LDB: TIME 6421.66 LOAD: AVG 0.195446 MAX 0.217462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.379 MB LDB: ============== END OF LOAD BALANCING =============== 6421.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6421.66 PRESSURE: 2004400 -173.521 148.062 22.2569 148.062 -155.304 -56.2151 22.2565 -56.2143 343.262 GPRESSURE: 2004400 -131.312 90.4229 20.0481 42.0771 -125.379 -145.033 52.3111 -54.1922 337.526 PRESSAVG: 2004400 29.3188 -16.7689 -8.86251 -16.7689 -20.9323 16.2837 -8.8625 16.2837 18.56 GPRESSAVG: 2004400 27.5144 -17.8063 -7.49728 -16.1574 -19.9503 16.9058 -8.88512 17.379 19.6455 TIMING: 2004400 CPU: 6409.56, 0.00321343/step Wall: 6409.56, 0.00321343/step, 2.67393 hours remaining, 232.593750 MB of memory in use. ENERGY: 2004400 4010.6665 20541.8347 14458.5511 239.6001 -203473.7247 2470.6643 0.0000 0.0000 52092.4704 -109659.9375 299.3761 -161752.4080 -109290.0353 299.2201 4.8126 26.9454 760236.3924 8.9822 9.0698 PRESSURE: 2004600 35.0994 -134.957 -147.762 -134.956 250.81 330.467 -147.763 330.467 424.147 GPRESSURE: 2004600 134.828 -158.792 -197.5 -243.384 285.893 349.281 -5.48933 309.867 365.098 PRESSAVG: 2004600 22.4949 -52.1827 3.55701 -52.1827 -11.9955 12.2954 3.557 12.2955 0.734554 GPRESSAVG: 2004600 22.647 -52.1254 3.22206 -53.8361 -12.4169 11.7521 3.68704 12.919 0.830643 TIMING: 2004600 CPU: 6410.19, 0.00314639/step Wall: 6410.19, 0.00314639/step, 2.61797 hours remaining, 233.195312 MB of memory in use. ENERGY: 2004600 3929.9547 20692.5338 14434.9899 225.8180 -203533.3141 2729.7408 0.0000 0.0000 51861.5941 -109658.6828 298.0493 -161520.2768 -109306.9199 299.8021 236.6854 261.9397 760854.4600 3.7446 3.6869 PRESSURE: 2004800 -80.1204 -265.945 -236.207 -265.945 599.256 -139.746 -236.206 -139.746 172.202 GPRESSURE: 2004800 33.7122 -191.291 -252.483 -222.445 511.766 -140.537 -356.746 -194.552 226.857 PRESSAVG: 2004800 -12.8007 -54.8952 -22.5758 -54.8952 -11.5976 31.7992 -22.5757 31.7991 -14.6666 GPRESSAVG: 2004800 -12.4379 -54.065 -24.5362 -52.8139 -10.9161 33.0972 -19.5276 29.2914 -15.4919 TIMING: 2004800 CPU: 6410.82, 0.00314897/step Wall: 6410.82, 0.00314897/step, 2.61994 hours remaining, 233.195312 MB of memory in use. ENERGY: 2004800 3941.2957 20591.9944 14476.4786 249.6454 -203708.8356 2844.1519 0.0000 0.0000 52163.4878 -109441.7817 299.7843 -161605.2695 -109089.7530 299.4834 230.4458 257.4451 761159.0247 -13.0216 -12.9486 PRESSURE: 2005000 -82.6566 -76.3374 -127.752 -76.3378 -27.078 89.6989 -127.751 89.6989 173.262 GPRESSURE: 2005000 -127.075 -48.5856 -87.0186 -64.781 88.4118 2.45272 -58.9279 33.1827 208.176 PRESSAVG: 2005000 48.1441 -35.8918 -27.1506 -35.8917 12.5558 22.104 -27.1506 22.104 -15.5154 GPRESSAVG: 2005000 47.7809 -36.9446 -27.0914 -36.6979 12.1906 20.1762 -28.7469 21.9038 -14.9879 TIMING: 2005000 CPU: 6411.45, 0.00315935/step Wall: 6411.45, 0.00315935/step, 2.62841 hours remaining, 233.195312 MB of memory in use. ENERGY: 2005000 3979.5414 20613.6767 14461.9752 266.3611 -203454.7541 2679.4600 0.0000 0.0000 52107.8840 -109345.8556 299.4647 -161453.7396 -108982.2884 299.6679 21.1758 56.5043 763042.2221 15.0615 14.9946 PRESSURE: 2005200 -584.503 95.2634 -115.686 95.2634 39.8552 92.0347 -115.686 92.0346 177.519 GPRESSURE: 2005200 -463.65 15.9408 -123.373 -12.738 18.6543 113.557 -115.552 64.5525 162.791 PRESSAVG: 2005200 -70.7088 -10.8959 53.1009 -10.8958 -0.186051 -23.7626 53.1008 -23.7626 -30.3453 GPRESSAVG: 2005200 -70.2623 -9.14539 53.3325 -10.3629 -0.87341 -22.2839 52.6661 -23.8908 -30.2653 TIMING: 2005200 CPU: 6412.08, 0.00315054/step Wall: 6412.08, 0.00315054/step, 2.6209 hours remaining, 233.195312 MB of memory in use. ENERGY: 2005200 3998.7316 20523.2170 14457.2342 267.8337 -203076.4847 2421.7324 0.0000 0.0000 52078.8523 -109328.8835 299.2979 -161407.7358 -108967.3334 299.9070 -122.3762 -94.0683 763636.4814 -33.7467 -33.8003 PRESSURE: 2005400 -29.1443 82.9534 75.6991 82.9538 144.205 223.97 75.6998 223.97 69.5094 GPRESSURE: 2005400 13.6926 58.0176 119.185 124.758 179.19 202.332 39.4029 178.555 100.32 PRESSAVG: 2005400 -50.2792 36.7032 -11.4687 36.7031 32.2141 1.26428 -11.4687 1.26431 13.8736 GPRESSAVG: 2005400 -50.348 36.2747 -10.4884 36.2616 32.0559 1.6388 -11.9918 1.03896 14.1125 TIMING: 2005400 CPU: 6412.71, 0.0031585/step Wall: 6412.71, 0.0031585/step, 2.62735 hours remaining, 233.195312 MB of memory in use. ENERGY: 2005400 4047.6238 20457.3062 14456.9765 257.1127 -203309.8883 2716.1651 0.0000 0.0000 52044.3494 -109330.3547 299.0996 -161374.7041 -108974.4081 299.4998 61.5233 97.7342 763250.2232 -1.3971 -1.3932 PRESSURE: 2005600 39.1536 -63.0521 -272.661 -63.0512 178.367 238.935 -272.661 238.935 326.459 GPRESSURE: 2005600 178.235 -10.7175 -273.094 -42.6778 170.323 199.783 -125.23 260.945 278.624 PRESSAVG: 2005600 42.3568 2.20893 -21.1426 2.20892 -29.5363 35.7614 -21.1426 35.7614 8.32189 GPRESSAVG: 2005600 43.0241 1.6298 -20.7353 3.1415 -29.0695 35.0448 -20.7835 36.0552 7.65037 TIMING: 2005600 CPU: 6413.34, 0.00316437/step Wall: 6413.34, 0.00316437/step, 2.63205 hours remaining, 233.195312 MB of memory in use. ENERGY: 2005600 3923.5953 20454.3381 14517.8188 241.1583 -203780.5552 2816.5061 0.0000 0.0000 52335.8594 -109491.2792 300.7749 -161827.1386 -109112.0137 299.4978 181.3265 209.0605 762751.7784 7.0475 7.2017 PRESSURE: 2005800 -76.9553 134.963 83.3481 134.964 -226.915 -104.231 83.3479 -104.232 -189.626 GPRESSURE: 2005800 -44.1675 86.2734 29.7941 148.983 -214.614 -58.5279 103.247 -65.4423 -144.295 PRESSAVG: 2005800 50.6821 16.143 -10.3302 16.1429 -57.8432 0.280195 -10.3302 0.280241 17.7818 GPRESSAVG: 2005800 49.3867 17.4656 -13.3713 14.3718 -57.1784 0.343594 -10.3796 1.09261 18.2611 TIMING: 2005800 CPU: 6413.97, 0.00315466/step Wall: 6413.97, 0.00315466/step, 2.6238 hours remaining, 233.195312 MB of memory in use. ENERGY: 2005800 4027.7401 20594.7978 14493.4900 237.7890 -203555.3166 2670.2828 0.0000 0.0000 52161.4182 -109369.7987 299.7724 -161531.2169 -109005.2857 299.5976 -164.4988 -134.3587 762837.3946 3.5402 3.4898 PRESSURE: 2006000 -22.9878 -115.646 -27.7558 -115.647 -338.214 132.808 -27.756 132.81 -152.457 GPRESSURE: 2006000 18.8248 -70.4467 4.86697 19.6088 -249.431 82.3576 30.5366 88.3844 -199.636 PRESSAVG: 2006000 43.1849 23.6999 -28.1709 23.6999 -37.3502 9.09175 -28.1709 9.09176 -11.3837 GPRESSAVG: 2006000 44.7381 23.7013 -26.2933 26.1558 -38.3878 8.8167 -27.2268 9.1881 -11.4289 TIMING: 2006000 CPU: 6414.61, 0.00317658/step Wall: 6414.61, 0.00317658/step, 2.64185 hours remaining, 233.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2006000 3958.8157 20546.3671 14444.9484 263.6719 -203905.3569 3074.7809 0.0000 0.0000 52185.5557 -109431.2172 299.9111 -161616.7729 -109077.7209 299.4677 -171.2196 -143.4142 762753.2560 -1.8496 -1.6929 PRESSURE: 2006200 -75.4877 -47.2507 -21.201 -47.2503 -241.393 39.1481 -21.2005 39.1479 -221.038 GPRESSURE: 2006200 -3.19573 15.9113 -2.57198 -129.7 -216.215 128.117 -4.11341 -1.27837 -245.832 PRESSAVG: 2006200 -26.1983 -40.3988 3.1565 -40.3989 17.3767 -34.734 3.15648 -34.7341 6.94075 GPRESSAVG: 2006200 -26.8645 -39.9236 3.86654 -42.9875 17.489 -34.0731 2.51778 -37.6471 7.45832 TIMING: 2006200 CPU: 6415.24, 0.00316674/step Wall: 6415.24, 0.00316674/step, 2.63349 hours remaining, 233.195312 MB of memory in use. ENERGY: 2006200 4061.3583 20414.0448 14556.1592 236.5959 -203467.5892 2600.8879 0.0000 0.0000 52079.3091 -109519.2339 299.3005 -161598.5431 -109155.2020 299.3155 -179.3064 -155.0806 762518.2958 -0.6269 -0.6391 PRESSURE: 2006400 30.0512 179.656 -33.036 179.655 -315.484 -229.107 -33.0358 -229.106 134.869 GPRESSURE: 2006400 11.4531 160.737 -50.2514 71.0298 -211.018 -177.708 -55.5568 -18.1551 149.988 PRESSAVG: 2006400 3.74896 -32.2074 -12.7983 -32.2074 -25.7864 -26.1773 -12.7982 -26.1774 2.7714 GPRESSAVG: 2006400 3.96306 -33.2117 -14.418 -31.1065 -24.2429 -26.9456 -11.1847 -22.2787 1.1999 TIMING: 2006400 CPU: 6415.88, 0.00316997/step Wall: 6415.88, 0.00316997/step, 2.636 hours remaining, 233.195312 MB of memory in use. ENERGY: 2006400 3972.1442 20466.4747 14573.9458 253.1613 -203122.6970 2258.7340 0.0000 0.0000 52112.2908 -109485.9462 299.4901 -161598.2369 -109122.4170 298.9163 -50.1881 -16.5258 761461.2870 -6.4220 -6.3600 PRESSURE: 2006600 -266.609 -60.8862 -22.6738 -60.8871 -247.187 -122.338 -22.6744 -122.337 -215.098 GPRESSURE: 2006600 -199.937 47.1265 -63.58 -133.68 -178.569 -103.164 -66.6905 -203.346 -258.009 PRESSAVG: 2006600 36.38 -37.6901 -11.3058 -37.6901 -48.6401 -3.7085 -11.3058 -3.7085 1.02851 GPRESSAVG: 2006600 35.9514 -38.9506 -8.62779 -38.0992 -49.2396 -2.5081 -12.4931 -3.49595 1.52536 TIMING: 2006600 CPU: 6416.5, 0.00313758/step Wall: 6416.5, 0.00313758/step, 2.6089 hours remaining, 233.195312 MB of memory in use. ENERGY: 2006600 4053.7159 20600.8202 14437.1889 236.9220 -203487.1135 2547.1381 0.0000 0.0000 51945.0024 -109666.3259 298.5286 -161611.3284 -109319.6621 299.1008 -242.9643 -212.1718 762106.7166 -3.7439 -3.9209 PRESSURE: 2006800 81.8086 56.4527 91.9714 56.4525 -185.149 33.3979 91.971 33.3982 6.24423 GPRESSURE: 2006800 100.65 16.8699 138.353 52.8965 -145.283 59.4579 79.1486 56.4985 23.6038 PRESSAVG: 2006800 41.3856 -40.4739 -28.5125 -40.4739 -39.8351 24.1534 -28.5125 24.1534 6.50396 GPRESSAVG: 2006800 42.3497 -38.7016 -29.9669 -38.9853 -40.1297 21.8751 -27.2729 22.2327 5.92175 TIMING: 2006800 CPU: 6417.14, 0.00315969/step Wall: 6417.14, 0.00315969/step, 2.6271 hours remaining, 233.195312 MB of memory in use. ENERGY: 2006800 4042.0208 20512.2366 14514.8097 229.2171 -203622.4570 2776.1988 0.0000 0.0000 51892.6893 -109655.2847 298.2280 -161547.9740 -109302.8694 298.7050 -32.3654 -7.0096 761575.4936 2.6848 2.7139 PRESSURE: 2007000 -1.99948 -156.689 -53.7354 -156.689 -422.061 -69.6289 -53.735 -69.63 -420.044 GPRESSURE: 2007000 -50.8956 -128.097 -46.0088 -158.523 -381.116 -67.2999 -36.1694 -78.49 -363.115 PRESSAVG: 2007000 21.445 -38.5319 -38.5513 -38.5319 -19.0445 -10.181 -38.5512 -10.181 -21.9076 GPRESSAVG: 2007000 20.1449 -39.2589 -38.188 -39.6619 -18.51 -7.42339 -38.0338 -11.019 -21.0428 TIMING: 2007000 CPU: 6417.77, 0.00316794/step Wall: 6417.77, 0.00316794/step, 2.63379 hours remaining, 233.195312 MB of memory in use. ENERGY: 2007000 4031.4647 20537.8308 14481.6992 242.5276 -203126.9342 2250.7170 0.0000 0.0000 51983.0395 -109599.6555 298.7472 -161582.6949 -109235.4386 298.9299 -281.3682 -265.0422 762322.0589 -6.5024 -6.4693 PRESSURE: 2007200 -73.5856 159.658 -160.712 159.659 -41.9859 63.641 -160.712 63.6397 -228.733 GPRESSURE: 2007200 -123.355 136.983 -43.3073 31.2027 43.845 134.31 -243.633 -83.5179 -177.776 PRESSAVG: 2007200 5.66014 -29.0618 -44.0881 -29.0619 43.5077 -31.566 -44.0881 -31.566 -11.2906 GPRESSAVG: 2007200 6.55471 -28.3662 -43.2828 -27.842 42.6781 -32.518 -44.8144 -31.7984 -11.5301 TIMING: 2007200 CPU: 6418.4, 0.00314183/step Wall: 6418.4, 0.00314183/step, 2.61191 hours remaining, 233.195312 MB of memory in use. ENERGY: 2007200 4002.7842 20528.1254 14526.2616 235.6601 -203441.3707 2797.7832 0.0000 0.0000 51885.3423 -109465.4139 298.1858 -161350.7562 -109113.0346 298.8531 -114.7681 -85.7621 763060.9446 12.6257 12.5676 PRESSURE: 2007400 -246.114 -25.6087 -231.121 -25.6091 -426.345 -227.255 -231.122 -227.254 209.561 GPRESSURE: 2007400 -183.337 -15.9842 -303.282 -99.5215 -410.85 -228.787 -179.026 -72.0173 225.809 PRESSAVG: 2007400 -70.4161 -64.1078 22.7474 -64.1077 57.7538 -12.8972 22.7473 -12.8972 15.7461 GPRESSAVG: 2007400 -70.5614 -66.9308 21.3618 -63.8672 58.784 -11.8513 23.6246 -11.0946 15.0613 TIMING: 2007400 CPU: 6419.03, 0.0031733/step Wall: 6419.03, 0.0031733/step, 2.63789 hours remaining, 233.195312 MB of memory in use. ENERGY: 2007400 4003.2849 20625.6347 14520.3181 247.5198 -203481.1641 2486.2272 0.0000 0.0000 51907.8617 -109690.3176 298.3152 -161598.1793 -109338.4105 298.8765 -154.2995 -122.7925 761664.5539 1.0280 1.0946 PRESSURE: 2007600 -20.1636 -245.655 76.326 -245.655 268.767 63.7334 76.326 63.7339 46.2374 GPRESSURE: 2007600 85.8678 -184.427 98.2255 -182.309 168.745 -17.0807 99.1237 -46.5738 114.816 PRESSAVG: 2007600 26.658 -11.4716 -40.774 -11.4716 -24.8929 -9.7473 -40.7739 -9.74728 1.7471 GPRESSAVG: 2007600 25.7998 -10.3747 -41.3911 -11.9051 -25.9676 -9.11491 -41.2708 -11.7559 3.14914 TIMING: 2007600 CPU: 6419.67, 0.00316997/step Wall: 6419.67, 0.00316997/step, 2.63495 hours remaining, 233.195312 MB of memory in use. ENERGY: 2007600 3911.0823 20402.7158 14486.5087 249.7112 -203324.1475 2713.7956 0.0000 0.0000 51882.6892 -109677.6448 298.1705 -161560.3340 -109317.4511 298.9632 98.2801 123.1430 761711.1106 1.1708 0.9938 PRESSURE: 2007800 -60.312 75.8648 -33.7687 75.865 156.123 103.002 -33.7683 103.001 -301.768 GPRESSURE: 2007800 31.5171 24.595 -41.0799 84.4269 248.99 157.487 -72.0448 102.487 -399.388 PRESSAVG: 2007800 -46.9432 -61.3618 -57.0019 -61.3618 32.3963 -22.1036 -57.002 -22.1036 15.3512 GPRESSAVG: 2007800 -46.4761 -59.9298 -57.9276 -61.6309 33.5245 -23.2395 -57.5364 -18.6374 14.0881 TIMING: 2007800 CPU: 6420.3, 0.0031685/step Wall: 6420.3, 0.0031685/step, 2.63355 hours remaining, 233.195312 MB of memory in use. ENERGY: 2007800 4054.5170 20621.3656 14486.3337 231.4385 -203715.9095 2675.2091 0.0000 0.0000 52098.7235 -109548.3221 299.4121 -161647.0456 -109187.8733 299.1091 -68.6524 -39.6270 760637.0288 0.2681 0.3788 PRESSURE: 2008000 -254.049 -91.9004 93.0109 -91.9003 -461.012 155.861 93.0112 155.86 -264.365 GPRESSURE: 2008000 -197.061 -2.12916 62.6075 -181.098 -407.316 75.8308 169.926 118.744 -296.418 PRESSAVG: 2008000 9.12703 -70.9896 -29.9415 -70.9896 -12.0564 -39.7331 -29.9415 -39.733 18.5948 GPRESSAVG: 2008000 9.442 -71.2587 -27.4017 -69.645 -12.8549 -38.9937 -31.9319 -41.6555 18.4784 TIMING: 2008000 CPU: 6420.93, 0.00314784/step Wall: 6420.93, 0.00314784/step, 2.6162 hours remaining, 233.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2008000 3977.2590 20572.5654 14526.3890 246.5393 -203660.1303 2528.8250 0.0000 0.0000 52357.1220 -109451.4306 300.8971 -161808.5527 -109081.9685 299.5493 -326.4754 -300.2649 762279.7380 5.2218 5.0218 PRESSURE: 2008200 -310.952 -46.1997 -40.1828 -46.1992 22.64 -322.619 -40.1831 -322.619 -231.173 GPRESSURE: 2008200 -248.888 -48.9447 -90.423 55.8393 16.6216 -323.102 -25.9406 -237.865 -195.704 PRESSAVG: 2008200 -18.2468 -48.3449 -31.7023 -48.3448 32.1385 -8.47579 -31.7023 -8.47589 -10.3157 GPRESSAVG: 2008200 -19.1507 -49.8927 -32.8737 -47.9939 32.476 -9.70938 -28.7739 -7.94648 -9.37308 TIMING: 2008200 CPU: 6421.56, 0.00314648/step Wall: 6421.56, 0.00314648/step, 2.6149 hours remaining, 233.195312 MB of memory in use. ENERGY: 2008200 3993.2795 20757.7666 14520.8974 233.1938 -203238.3398 2199.0958 0.0000 0.0000 51917.8072 -109616.2995 298.3724 -161534.1067 -109267.0187 299.2504 -173.1617 -142.6568 760722.9511 1.1920 1.3174 LDB: ============= START OF LOAD BALANCING ============== 6433.98 LDB: ============== END OF LOAD BALANCING =============== 6433.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6433.98 LDB: ============= START OF LOAD BALANCING ============== 6434.3 LDB: Largest compute 7059 load 0.034017 is 17.4% of average load 0.195399 LDB: Average compute 0.004422 is 2.3% of average load 0.195399 LDB: TIME 6434.3 LOAD: AVG 0.195399 MAX 0.216074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 6434.3 LOAD: AVG 0.195399 MAX 0.216074 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: TIME 6434.3 LOAD: AVG 0.195399 MAX 0.216074 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.383 MB LDB: ============== END OF LOAD BALANCING =============== 6434.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6434.31 PRESSURE: 2008400 136.862 -54.1139 31.3207 -54.114 132.373 -114.009 31.3204 -114.009 -43.5183 GPRESSURE: 2008400 221.943 -118.281 80.5338 -104.629 127.35 -145.898 -69.7147 -129.486 -20.7086 PRESSAVG: 2008400 -8.86058 4.80758 -68.3367 4.80751 -0.137409 -15.8101 -68.3367 -15.81 -13.267 GPRESSAVG: 2008400 -7.77639 3.41645 -65.9297 3.07645 -0.227203 -15.2744 -68.6117 -16.8133 -14.2244 TIMING: 2008400 CPU: 6422.21, 0.00322876/step Wall: 6422.21, 0.00322876/step, 2.6831 hours remaining, 231.375000 MB of memory in use. ENERGY: 2008400 4040.0334 20559.8322 14559.9230 267.3932 -203807.6877 2630.7941 0.0000 0.0000 52033.4747 -109716.2370 299.0371 -161749.7117 -109353.0898 298.9567 75.2387 109.5280 759191.0391 -7.4217 -7.4093 PRESSURE: 2008600 -163.964 -104.768 120.781 -104.768 203.686 119.713 120.781 119.714 -372.213 GPRESSURE: 2008600 -168.236 -57.4635 59.5916 -127.135 207.771 88.558 146.172 33.9078 -288.41 PRESSAVG: 2008600 -29.8585 -16.6431 -3.90721 -16.6431 51.1929 -32.6156 -3.90729 -32.6156 22.1961 GPRESSAVG: 2008600 -30.1546 -14.8883 -5.30127 -15.9733 51.2309 -32.113 -5.67434 -32.1442 22.3813 TIMING: 2008600 CPU: 6422.84, 0.00318204/step Wall: 6422.84, 0.00318204/step, 2.6441 hours remaining, 231.375000 MB of memory in use. ENERGY: 2008600 3935.9752 20426.1968 14524.9245 248.8138 -203597.7143 2631.4425 0.0000 0.0000 52122.7502 -109707.6115 299.5502 -161830.3616 -109339.7290 299.7164 -110.8306 -82.9580 760643.0564 14.5102 14.4858 PRESSURE: 2008800 18.6546 16.4006 152.258 16.4008 -80.1317 -291.747 152.258 -291.747 227.567 GPRESSURE: 2008800 -44.3618 102.927 186.52 -38.776 71.4026 -306.432 150.428 -107.158 226.887 PRESSAVG: 2008800 -65.771 -29.8431 16.4888 -29.8429 -24.7687 -9.54182 16.4888 -9.54184 -2.70892 GPRESSAVG: 2008800 -66.1532 -31.0916 15.0877 -28.4289 -25.5219 -10.4696 18.9062 -8.73526 -1.56942 TIMING: 2008800 CPU: 6423.47, 0.00315296/step Wall: 6423.47, 0.00315296/step, 2.61976 hours remaining, 231.375000 MB of memory in use. ENERGY: 2008800 4039.9473 20494.0100 14488.0767 240.8107 -203774.9517 2679.9976 0.0000 0.0000 52194.2962 -109637.8133 299.9613 -161832.1095 -109287.5369 299.2984 55.3635 84.6427 760611.8347 -31.0829 -31.0815 PRESSURE: 2009000 25.7598 46.3581 -25.8368 46.3585 101.92 -36.6493 -25.8375 -36.6498 -97.265 GPRESSURE: 2009000 105.277 122.767 -27.2321 1.70673 104.016 54.795 1.92062 -18.4565 -88.7752 PRESSAVG: 2009000 -31.6441 -38.2325 3.55489 -38.2325 41.83 5.90495 3.55484 5.90491 13.101 GPRESSAVG: 2009000 -30.8172 -35.3296 5.70813 -39.2554 41.4524 7.10077 2.42751 6.69769 12.853 TIMING: 2009000 CPU: 6424.1, 0.00314418/step Wall: 6424.1, 0.00314419/step, 2.61229 hours remaining, 231.375000 MB of memory in use. ENERGY: 2009000 3969.4271 20496.7495 14443.1118 240.1210 -203706.4258 2695.6337 0.0000 0.0000 52228.1480 -109633.2347 300.1559 -161861.3827 -109263.4194 299.0776 10.1383 40.1725 761266.9297 7.7623 7.8294 PRESSURE: 2009200 167.246 -70.9918 112.433 -70.9925 201.268 294.586 112.432 294.585 289.626 GPRESSURE: 2009200 134.267 -126.395 44.4832 -28.6888 332.149 308.461 93.6472 260.198 277.454 PRESSAVG: 2009200 24.079 -37.8854 7.21015 -37.8855 -53.1748 -34.225 7.21018 -34.225 27.4545 GPRESSAVG: 2009200 23.5278 -38.3996 5.78006 -37.7091 -52.2134 -33.4182 5.87113 -36.3888 27.1734 TIMING: 2009200 CPU: 6424.73, 0.00314301/step Wall: 6424.73, 0.00314301/step, 2.61114 hours remaining, 231.375000 MB of memory in use. ENERGY: 2009200 3906.1083 20544.1658 14497.3610 243.2870 -203445.8459 2465.9521 0.0000 0.0000 51972.7506 -109816.2212 298.6881 -161788.9718 -109450.0299 298.9939 219.3800 247.9565 760301.1035 -0.5471 -0.5041 PRESSURE: 2009400 -33.0418 -158.303 -134.264 -158.302 124.964 56.0419 -134.263 56.0417 179.101 GPRESSURE: 2009400 36.5994 -144.066 -102.894 -229.474 107.665 -12.6279 -143.067 -52.9279 197.893 PRESSAVG: 2009400 -7.99931 -44.8933 -6.29028 -44.8934 48.3001 0.91731 -6.2902 0.917302 4.94873 GPRESSAVG: 2009400 -9.15834 -45.5919 -5.10293 -45.3324 48.7411 -1.18838 -4.93548 0.823757 5.15092 TIMING: 2009400 CPU: 6425.36, 0.0031468/step Wall: 6425.36, 0.0031468/step, 2.61412 hours remaining, 231.375000 MB of memory in use. ENERGY: 2009400 3965.6212 20546.1709 14507.4405 271.5189 -203651.4417 2540.2120 0.0000 0.0000 52187.3877 -109633.0905 299.9216 -161820.4782 -109264.5033 299.3311 90.3412 114.0522 760404.1123 15.0832 14.9112 PRESSURE: 2009600 -110.658 39.1293 166.108 39.1297 279.264 7.11107 166.107 7.11083 -118.599 GPRESSURE: 2009600 -158.767 86.0602 25.0691 -50.381 294.197 -67.6436 168.788 165.394 -1.89683 PRESSAVG: 2009600 24.6958 -27.8246 7.96955 -27.8247 -20.8206 5.03581 7.96952 5.03573 7.58865 GPRESSAVG: 2009600 26.1914 -26.407 6.27778 -28.5306 -21.0151 5.81675 7.13693 5.18006 6.63119 TIMING: 2009600 CPU: 6425.99, 0.00316656/step Wall: 6425.99, 0.00316656/step, 2.63036 hours remaining, 231.375000 MB of memory in use. ENERGY: 2009600 3979.9289 20535.2890 14509.4015 239.8108 -203626.2233 2631.2893 0.0000 0.0000 51942.1929 -109788.3108 298.5125 -161730.5037 -109433.8491 299.1416 16.6691 44.5111 761513.8038 3.8213 3.9358 PRESSURE: 2009800 -339.246 -29.0111 -124.761 -29.0111 23.2306 -112.798 -124.76 -112.8 -234.628 GPRESSURE: 2009800 -297.152 3.08807 -71.7284 58.0787 31.9701 -133.215 -209.317 -36.3419 -209.191 PRESSAVG: 2009800 -30.4672 -32.2815 17.0874 -32.2815 14.1202 5.28072 17.0873 5.28077 -2.86836 GPRESSAVG: 2009800 -31.2444 -33.9229 18.3738 -31.7625 13.8664 5.60082 16.1508 6.26887 -1.95921 TIMING: 2009800 CPU: 6426.62, 0.00314669/step Wall: 6426.62, 0.00314669/step, 2.61367 hours remaining, 231.375000 MB of memory in use. ENERGY: 2009800 3973.8955 20532.0162 14487.0651 238.4671 -203472.3304 2373.4442 0.0000 0.0000 51871.7872 -109995.6551 298.1079 -161867.4423 -109628.7552 298.2141 -183.5478 -158.1245 759646.6735 -6.4051 -6.4457 PRESSURE: 2010000 26.0879 102.38 262.523 102.381 164.707 -113.993 262.523 -113.993 19.2903 GPRESSURE: 2010000 82.2432 77.4434 257.55 100.236 123.155 -128.045 343.281 -155.489 85.2753 PRESSAVG: 2010000 20.2974 -16.1774 -47.6875 -16.1774 -20.2131 -28.2647 -47.6875 -28.2647 -1.50156 GPRESSAVG: 2010000 20.1911 -15.8386 -48.0136 -17.472 -21.0021 -27.4573 -45.8523 -30.0548 -0.767778 TIMING: 2010000 CPU: 6427.25, 0.00315186/step Wall: 6427.25, 0.00315186/step, 2.6178 hours remaining, 231.375000 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: 2010000 3855.6551 20315.2513 14558.6316 254.2119 -203327.5972 2578.4971 0.0000 0.0000 52107.1651 -109658.1850 299.4606 -161765.3501 -109283.9097 298.5028 70.0283 96.8910 759903.2550 -0.4724 -0.5262 PRESSURE: 2010200 48.241 -134.302 99.4358 -134.303 -89.7097 -89.3271 99.4355 -89.3268 -76.0838 GPRESSURE: 2010200 121.584 -282.125 88.7662 -203.169 -61.7544 38.8044 69.232 55.5087 -85.6721 PRESSAVG: 2010200 -27.1556 -8.49336 49.4768 -8.49331 33.684 -24.0679 49.4768 -24.0679 9.66545 GPRESSAVG: 2010200 -26.3586 -8.09884 48.3724 -7.35478 33.5963 -24.977 50.4735 -23.4267 8.56783 TIMING: 2010200 CPU: 6427.88, 0.00315716/step Wall: 6427.88, 0.00315716/step, 2.62202 hours remaining, 231.375000 MB of memory in use. ENERGY: 2010200 3915.2577 20518.7884 14635.5049 235.9762 -203281.4456 2497.3999 0.0000 0.0000 51959.0011 -109519.5174 298.6091 -161478.5185 -109158.4027 298.9679 -39.1842 -8.6141 762833.9215 5.3980 5.2685 PRESSURE: 2010400 44.6528 15.5124 96.2335 15.5132 -80.8915 -189.086 96.2335 -189.086 -253.707 GPRESSURE: 2010400 106.481 -35.6782 88.6778 -1.83809 -166.146 -113.578 28.795 -167.781 -155.615 PRESSAVG: 2010400 66.3452 -26.4792 -23.0704 -26.4793 -74.2356 -34.4722 -23.0704 -34.4721 -18.8029 GPRESSAVG: 2010400 66.4098 -26.337 -21.7015 -26.0596 -74.5604 -35.5597 -26.3326 -33.1099 -18.3937 TIMING: 2010400 CPU: 6428.52, 0.00318178/step Wall: 6428.52, 0.00318178/step, 2.64229 hours remaining, 231.375000 MB of memory in use. ENERGY: 2010400 3953.0566 20358.2179 14550.5025 237.8832 -203570.2392 2719.9235 0.0000 0.0000 52036.7596 -109713.8960 299.0560 -161750.6556 -109349.1762 299.0867 -96.6487 -71.7604 762083.8997 -8.8978 -8.8481 PRESSURE: 2010600 68.3116 -17.1207 83.1286 -17.1205 -211.679 -73.7439 83.1281 -73.7437 -168.688 GPRESSURE: 2010600 32.2038 -46.9722 101.616 8.32399 -145.842 -144.695 -60.2236 -47.5619 -131.315 PRESSAVG: 2010600 44.9092 -19.8414 -10.6056 -19.8415 -14.2011 -29.2053 -10.6056 -29.2052 25.8285 GPRESSAVG: 2010600 42.6167 -21.4901 -12.1549 -21.2803 -12.1782 -28.8231 -11.2846 -31.4766 26.1041 TIMING: 2010600 CPU: 6429.15, 0.00315066/step Wall: 6429.15, 0.00315066/step, 2.61627 hours remaining, 231.375000 MB of memory in use. ENERGY: 2010600 4012.7096 20474.7247 14637.7042 251.1022 -204165.8633 2882.4464 0.0000 0.0000 51935.1068 -109972.0693 298.4718 -161907.1762 -109614.9389 298.5951 -104.0186 -81.6512 763414.7149 18.8455 18.8475 PRESSURE: 2010800 -132.562 276.567 -29.8174 276.566 112.183 119.897 -29.8172 119.898 -185.229 GPRESSURE: 2010800 -52.7649 248.784 -29.3436 171.819 31.9129 32.5076 6.42854 203.153 -89.6973 PRESSAVG: 2010800 4.45689 12.9427 -24.1575 12.9426 16.1459 22.7921 -24.1575 22.7921 34.093 GPRESSAVG: 2010800 7.38701 14.9125 -24.1246 14.2984 14.2503 22.3758 -22.8391 25.4577 33.3081 TIMING: 2010800 CPU: 6429.78, 0.00315432/step Wall: 6429.78, 0.00315432/step, 2.61913 hours remaining, 231.375000 MB of memory in use. ENERGY: 2010800 3925.6991 20412.9130 14554.9326 251.5208 -203471.1093 2499.4045 0.0000 0.0000 51865.9834 -109960.6559 298.0745 -161826.6393 -109593.3808 297.6737 -68.5356 -36.8498 762657.1159 18.2319 18.3151 PRESSURE: 2011000 -22.7613 -108.433 -53.0264 -108.433 -143.38 75.1293 -53.0264 75.1292 98.3153 GPRESSURE: 2011000 80.3231 -60.5783 -54.8121 -23.0435 -191.383 26.8135 -146.47 -98.7542 126.899 PRESSAVG: 2011000 11.5505 27.0364 15.3389 27.0364 -45.2869 10.9278 15.3389 10.9278 2.83828 GPRESSAVG: 2011000 9.51837 25.0806 15.9536 28.4664 -43.7653 12.9976 15.8069 8.42261 2.90008 TIMING: 2011000 CPU: 6430.41, 0.00313937/step Wall: 6430.41, 0.00313937/step, 2.60655 hours remaining, 231.375000 MB of memory in use. ENERGY: 2011000 3957.8548 20421.9739 14559.5385 246.7338 -204328.6239 3120.9197 0.0000 0.0000 52158.1520 -109863.4513 299.7536 -162021.6033 -109503.8180 297.8487 -22.6088 5.2798 761156.9151 -10.2994 -10.4490 PRESSURE: 2011200 41.2245 67.6374 -78.9262 67.6381 -137.892 -236.143 -78.926 -236.143 313.293 GPRESSURE: 2011200 93.2065 29.7822 -26.128 15.972 -58.0326 -153.352 -252.462 -224.231 265.085 PRESSAVG: 2011200 8.91663 -19.9472 -16.5632 -19.9473 -17.0441 -25.0451 -16.5631 -25.0451 14.0404 GPRESSAVG: 2011200 9.20763 -18.9974 -16.4097 -22.7827 -17.3051 -25.0722 -18.5583 -24.3585 14.2855 TIMING: 2011200 CPU: 6431.04, 0.00315777/step Wall: 6431.04, 0.00315777/step, 2.62165 hours remaining, 231.375000 MB of memory in use. ENERGY: 2011200 4070.1601 20460.0062 14578.4379 224.1514 -203561.0786 2612.7434 0.0000 0.0000 51806.4256 -109809.1540 297.7322 -161615.5796 -109451.7466 297.8791 72.2085 100.0862 761706.2386 1.9710 2.0627 PRESSURE: 2011400 -72.1718 -101.297 -311.15 -101.296 -2.28893 242.268 -311.15 242.268 -29.3945 GPRESSURE: 2011400 10.0136 -26.899 -331.34 -142.086 -20.2945 344.09 -227.054 140.076 -6.34952 PRESSAVG: 2011400 32.7381 10.5376 -41.9238 10.5376 -26.3565 -43.5336 -41.9239 -43.5337 29.8418 GPRESSAVG: 2011400 32.3835 10.8239 -42.4233 10.5107 -25.5888 -44.6213 -40.6965 -42.8013 29.4582 TIMING: 2011400 CPU: 6431.67, 0.0031725/step Wall: 6431.67, 0.0031725/step, 2.6337 hours remaining, 231.375000 MB of memory in use. ENERGY: 2011400 3967.7098 20430.2202 14521.1166 219.6738 -203605.0960 2651.6164 0.0000 0.0000 52003.2775 -109811.4817 298.8636 -161814.7592 -109453.9624 297.9823 -34.6184 -5.5434 761285.5095 12.0745 12.0843 PRESSURE: 2011600 19.6496 44.6421 -81.1214 44.6425 -159.893 137.536 -81.1217 137.536 -125.432 GPRESSURE: 2011600 59.7754 -80.7722 8.3922 130.164 -97.6818 114.626 -125.789 63.7766 -153.231 PRESSAVG: 2011600 19.8661 -36.569 -9.33015 -36.5691 -9.41259 -46.0736 -9.3302 -46.0736 -11.3912 GPRESSAVG: 2011600 21.553 -36.1975 -8.10705 -36.108 -11.008 -46.5943 -9.75454 -46.2834 -11.1937 TIMING: 2011600 CPU: 6432.3, 0.00314898/step Wall: 6432.3, 0.00314898/step, 2.61401 hours remaining, 231.375000 MB of memory in use. ENERGY: 2011600 3976.1728 20549.4980 14522.5241 220.7395 -203855.4057 2686.1905 0.0000 0.0000 51928.3098 -109971.9710 298.4327 -161900.2809 -109605.7297 298.1669 -88.5584 -63.7125 760088.6644 -0.3126 -0.2162 PRESSURE: 2011800 -47.8563 3.28618 144.27 3.28607 173.017 -100.467 144.27 -100.466 -127.947 GPRESSURE: 2011800 47.1337 -84.2027 122.139 22.9671 50.7965 -46.0202 -44.7377 -16.6196 -27.5746 PRESSAVG: 2011800 43.9911 2.28412 -44.593 2.28413 -3.14519 -25.7022 -44.5929 -25.7022 14.1011 GPRESSAVG: 2011800 43.7358 -0.38476 -44.7884 3.96453 -2.13128 -24.9747 -46.6873 -25.5304 13.3371 TIMING: 2011800 CPU: 6432.93, 0.0031389/step Wall: 6432.93, 0.0031389/step, 2.60546 hours remaining, 231.375000 MB of memory in use. ENERGY: 2011800 3954.9822 20307.0583 14397.0673 246.8040 -203531.1593 2619.1219 0.0000 0.0000 51864.2132 -110141.9124 298.0643 -162006.1257 -109780.9497 298.2949 -0.9288 23.4519 760520.7320 18.3157 18.3139 PRESSURE: 2012000 365.358 -177.346 -36.9746 -177.346 -287.322 122.317 -36.9745 122.317 111.121 GPRESSURE: 2012000 405.356 -191.284 53.807 -243.489 -169.091 69.5774 -60.5687 213.568 46.4186 PRESSAVG: 2012000 51.0286 -43.5912 -42.2163 -43.5912 -49.5385 43.848 -42.2163 43.848 -15.5306 GPRESSAVG: 2012000 49.9749 -41.4766 -43.2583 -45.0893 -50.4721 44.7558 -38.2893 44.556 -14.0941 TIMING: 2012000 CPU: 6433.56, 0.00314866/step Wall: 6433.56, 0.00314866/step, 2.61339 hours remaining, 231.375000 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: 2012000 3973.5266 20449.1620 14413.7510 236.7340 -204031.9027 2950.7584 0.0000 0.0000 51871.0188 -110136.9518 298.1035 -162007.9707 -109780.4533 297.8656 63.0522 94.2279 759609.3682 -4.6801 -4.8638 PRESSURE: 2012200 -63.7315 -164.585 27.2263 -164.585 -167.991 38.812 27.2245 38.8126 -219.692 GPRESSURE: 2012200 -47.671 -138.911 18.7233 -184.032 -139.421 53.1026 50.5687 -0.267538 -191.207 PRESSAVG: 2012200 33.8867 -66.9432 -18.8314 -66.9432 -46.2145 -5.22896 -18.8314 -5.22899 5.37075 GPRESSAVG: 2012200 34.3719 -64.7933 -18.2185 -67.8806 -45.6883 -8.16744 -21.5178 -3.35442 4.37487 TIMING: 2012200 CPU: 6434.19, 0.00313252/step Wall: 6434.19, 0.00313252/step, 2.59982 hours remaining, 231.375000 MB of memory in use. ENERGY: 2012200 3940.0388 20489.3815 14522.3917 245.0162 -203419.8651 2443.2340 0.0000 0.0000 51790.9553 -109988.8476 297.6433 -161779.8030 -109630.9595 297.8768 -150.4716 -126.0999 761070.6023 -2.3190 -2.3139 LDB: ============= START OF LOAD BALANCING ============== 6446.61 LDB: ============== END OF LOAD BALANCING =============== 6446.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6446.61 LDB: ============= START OF LOAD BALANCING ============== 6446.93 LDB: Largest compute 7078 load 0.035177 is 18.0% of average load 0.195465 LDB: Average compute 0.004417 is 2.3% of average load 0.195465 LDB: TIME 6446.93 LOAD: AVG 0.195465 MAX 0.218421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.367 MB LDB: TIME 6446.93 LOAD: AVG 0.195465 MAX 0.218421 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.367 MB LDB: TIME 6446.93 LOAD: AVG 0.195465 MAX 0.216597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.367 MB LDB: ============== END OF LOAD BALANCING =============== 6446.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6446.94 PRESSURE: 2012400 -149.122 70.3068 64.645 70.3065 -224.906 -116.103 64.6457 -116.104 -100.434 GPRESSURE: 2012400 -169.827 173.026 -2.49697 205.148 -178.065 86.1036 40.2189 -199.959 -50.957 PRESSAVG: 2012400 23.1885 -5.81144 29.5575 -5.81142 -15.3858 -23.8594 29.5575 -23.8593 -11.1456 GPRESSAVG: 2012400 22.4442 -6.99856 30.0996 -3.76656 -15.415 -21.2554 30.4978 -25.2268 -10.561 TIMING: 2012400 CPU: 6434.83, 0.00320986/step Wall: 6434.83, 0.00320986/step, 2.66382 hours remaining, 232.402344 MB of memory in use. ENERGY: 2012400 4058.1562 20498.7619 14502.0643 245.4564 -203591.3579 2403.7616 0.0000 0.0000 52004.8935 -109878.2641 298.8728 -161883.1576 -109504.4530 298.2986 -158.1539 -132.9498 759743.2562 -1.1143 -1.1772 PRESSURE: 2012600 -338.292 49.0385 25.1761 49.0378 -95.2264 80.7951 25.1776 80.795 -93.1053 GPRESSURE: 2012600 -238.616 -20.0867 46.7784 -60.2582 -121.938 24.6933 35.6759 35.5288 -93.4847 PRESSAVG: 2012600 13.6892 -32.6919 -4.15125 -32.692 -31.5251 -26.1846 -4.15122 -26.1848 -17.6815 GPRESSAVG: 2012600 15.0219 -34.8728 -4.00259 -32.9365 -32.9366 -28.0128 -3.80878 -24.9899 -17.7625 TIMING: 2012600 CPU: 6435.46, 0.00315934/step Wall: 6435.46, 0.00315934/step, 2.62173 hours remaining, 232.605469 MB of memory in use. ENERGY: 2012600 4060.3443 20580.0805 14514.6218 230.0325 -203328.7043 2325.7829 0.0000 0.0000 51952.1774 -109665.6649 298.5699 -161617.8423 -109310.7760 298.4234 -175.5411 -151.3463 761647.9779 -11.8391 -11.8924 PRESSURE: 2012800 86.8029 -100.86 -6.61609 -100.86 237.728 186.707 -6.61678 186.708 42.2051 GPRESSURE: 2012800 98.6721 -145.841 6.07177 -164.301 260.553 210.646 102.101 209.464 88.9105 PRESSAVG: 2012800 12.8665 -32.3122 18.2149 -32.3122 -14.1155 -12.2591 18.215 -12.259 -1.42904 GPRESSAVG: 2012800 12.9564 -31.2274 16.4272 -32.5827 -13.9751 -11.0908 19.1989 -12.2463 -2.35733 TIMING: 2012800 CPU: 6436.09, 0.00315938/step Wall: 6436.09, 0.00315938/step, 2.62159 hours remaining, 232.605469 MB of memory in use. ENERGY: 2012800 3995.9238 20350.2041 14494.1002 231.4092 -203891.8070 2776.2387 0.0000 0.0000 52142.0311 -109901.8999 299.6610 -162043.9310 -109541.7598 298.2374 122.2454 149.3784 760445.9908 -0.8927 -1.1253 PRESSURE: 2013000 -224.02 232.695 -13.2333 232.695 -555.792 -85.6699 -13.2334 -85.6691 -483.982 GPRESSURE: 2013000 -252.227 321.832 8.44768 197.207 -441.907 -55.2191 51.5055 -171.116 -467.844 PRESSAVG: 2013000 44.8975 -20.2836 -14.1514 -20.2836 0.167872 -10.4402 -14.1514 -10.4401 23.1589 GPRESSAVG: 2013000 43.6837 -20.455 -13.0721 -19.7319 0.525196 -11.0887 -13.4559 -12.5205 23.8133 TIMING: 2013000 CPU: 6436.72, 0.00314175/step Wall: 6436.72, 0.00314175/step, 2.60678 hours remaining, 232.605469 MB of memory in use. ENERGY: 2013000 4081.4461 20448.4932 14592.1607 240.3141 -203285.8864 2144.4285 0.0000 0.0000 51750.9529 -110028.0908 297.4134 -161779.0437 -109668.4382 298.9952 -421.2645 -387.3261 759507.0892 22.7414 22.6741 PRESSURE: 2013200 169.249 -50.968 1.48487 -50.9684 48.6898 -193.255 1.4843 -193.256 -23.1969 GPRESSURE: 2013200 127.281 -151.885 43.3891 32.0972 106.528 -185.006 -48.5487 -216.174 48.0833 PRESSAVG: 2013200 -2.06353 9.59785 39.4281 9.59783 -24.1022 -37.7887 39.4282 -37.7886 13.1466 GPRESSAVG: 2013200 -2.25336 8.77188 39.1768 9.24936 -23.0125 -38.5248 38.5229 -36.94 12.2002 TIMING: 2013200 CPU: 6437.35, 0.00314186/step Wall: 6437.35, 0.00314186/step, 2.6067 hours remaining, 232.605469 MB of memory in use. ENERGY: 2013200 3945.7202 20503.3732 14552.0320 240.4130 -203576.9441 2469.9243 0.0000 0.0000 51755.7624 -110109.7191 297.4411 -161865.4815 -109750.1198 298.0477 64.9138 93.9641 759093.1488 -4.3397 -4.3552 PRESSURE: 2013400 103.447 -19.7977 -100.254 -19.7978 385.451 -46.3385 -100.255 -46.3381 -22.6048 GPRESSURE: 2013400 198.838 61.8482 -161.354 -57.8762 352.272 -37.7223 40.7665 -46.3767 -11.4434 PRESSAVG: 2013400 -17.0163 3.65211 27.6133 3.65207 46.7682 -8.57047 27.6133 -8.57042 -11.6671 GPRESSAVG: 2013400 -17.4942 3.98485 28.2042 4.96084 46.7266 -6.63715 25.8403 -11.6283 -10.7795 TIMING: 2013400 CPU: 6437.98, 0.00313843/step Wall: 6437.98, 0.00313843/step, 2.60367 hours remaining, 232.605469 MB of memory in use. ENERGY: 2013400 3986.2926 20369.2785 14485.5447 231.8447 -203606.3166 2728.6786 0.0000 0.0000 51730.1133 -110074.5642 297.2937 -161804.6775 -109710.3921 298.2336 155.4313 179.8889 758425.7285 6.0283 6.1510 PRESSURE: 2013600 -124.492 106.892 -34.3015 106.892 -127.121 273.172 -34.3011 273.171 -5.35519 GPRESSURE: 2013600 -122.022 43.1252 -55.9219 15.2535 -47.2606 257.676 -87.9532 392.62 -25.2053 PRESSAVG: 2013600 -4.62037 28.3375 -17.6428 28.3375 0.928254 10.4509 -17.6428 10.4509 -2.98129 GPRESSAVG: 2013600 -3.92734 27.946 -17.1718 26.0147 -1.16735 10.195 -15.7781 13.6456 -2.20056 TIMING: 2013600 CPU: 6438.61, 0.0031537/step Wall: 6438.61, 0.0031537/step, 2.61617 hours remaining, 232.605469 MB of memory in use. ENERGY: 2013600 3956.7822 20412.9826 14490.5725 245.7263 -203553.5672 2510.5065 0.0000 0.0000 51770.3517 -110166.6455 297.5249 -161936.9972 -109813.2074 298.1309 -85.6561 -64.8292 759466.6024 -2.2245 -2.4318 PRESSURE: 2013800 289.22 177.356 -163.965 177.355 -83.5196 -210.508 -163.965 -210.508 211.742 GPRESSURE: 2013800 270.473 274.514 -101.335 64.4251 -19.9808 -141.616 -194.321 -205.013 241.653 PRESSAVG: 2013800 17.125 -19.7432 -46.4006 -19.7432 -25.426 57.2731 -46.4007 57.2731 -12.529 GPRESSAVG: 2013800 17.1011 -19.7103 -47.6873 -19.9416 -25.1699 56.5545 -47.1842 58.4172 -13.1147 TIMING: 2013800 CPU: 6439.24, 0.00315557/step Wall: 6439.24, 0.00315557/step, 2.61755 hours remaining, 232.605469 MB of memory in use. ENERGY: 2013800 3892.7399 20451.7653 14549.3113 246.3967 -203902.8813 2796.8075 0.0000 0.0000 51865.3927 -110100.4679 298.0711 -161965.8607 -109733.8147 298.0469 139.1473 164.0484 761334.7346 -6.9433 -7.0612 PRESSURE: 2014000 46.8251 76.3413 -10.6296 76.3409 454.838 -99.7867 -10.6298 -99.7868 -104.294 GPRESSURE: 2014000 139.387 140.864 0.664152 21.8514 363.3 -38.1191 -106.446 -164.832 -33.0882 PRESSAVG: 2014000 19.4857 -20.8268 0.770689 -20.8268 -22.8248 6.896 0.770662 6.89596 10.3047 GPRESSAVG: 2014000 20.4127 -19.9223 2.38509 -20.8923 -23.7177 7.86543 0.321056 4.31661 10.1337 TIMING: 2014000 CPU: 6439.87, 0.00314726/step Wall: 6439.87, 0.00314726/step, 2.61048 hours remaining, 232.605469 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: 2014000 3942.2317 20423.1500 14498.6090 248.9788 -203778.3426 2631.2941 0.0000 0.0000 51903.3831 -110130.6958 298.2895 -162034.0789 -109775.4634 297.8282 132.4564 156.5330 760894.7276 2.3219 2.2762 PRESSURE: 2014200 -278.387 -134.518 103.041 -134.518 115.883 -37.259 103.041 -37.2594 283.52 GPRESSURE: 2014200 -202.301 -178.93 188.565 -230.477 152.943 -2.33326 30.9261 -17.5519 252.343 PRESSAVG: 2014200 -34.2688 -29.2195 -18.6363 -29.2195 40.7992 -27.4514 -18.6363 -27.4515 -7.51201 GPRESSAVG: 2014200 -36.0193 -29.7826 -21.2206 -27.6365 42.1041 -28.5237 -17.6318 -25.2495 -7.1717 TIMING: 2014200 CPU: 6440.5, 0.00313829/step Wall: 6440.5, 0.00313829/step, 2.60286 hours remaining, 232.605469 MB of memory in use. ENERGY: 2014200 3980.1306 20370.8814 14441.4633 255.9992 -203670.0387 2580.1933 0.0000 0.0000 51863.0813 -110178.2896 298.0578 -162041.3708 -109813.3764 298.2732 40.3386 67.6619 760592.5618 -0.3272 -0.3623 PRESSURE: 2014400 288.206 49.1678 -329.568 49.1669 164.412 -104.479 -329.567 -104.48 -414.586 GPRESSURE: 2014400 288.219 92.6174 -323.784 48.1382 189.353 -46.847 -304.524 -190.065 -338.972 PRESSAVG: 2014400 31.6756 -49.1924 -8.93518 -49.1924 -61.4105 -0.420437 -8.93525 -0.420426 -3.56077 GPRESSAVG: 2014400 32.9246 -50.108 -7.37546 -51.2028 -61.2531 -0.267177 -7.18983 0.0734668 -4.42968 TIMING: 2014400 CPU: 6441.13, 0.0031415/step Wall: 6441.13, 0.0031415/step, 2.60535 hours remaining, 232.605469 MB of memory in use. ENERGY: 2014400 3926.3502 20373.5873 14542.9028 258.0052 -203732.3653 2798.0942 0.0000 0.0000 51797.0933 -110036.3323 297.6786 -161833.4256 -109678.2367 298.0894 12.6774 46.2001 759480.3226 -11.0986 -10.9194 PRESSURE: 2014600 312.386 -5.93015 200.909 -5.93046 -140.05 163.22 200.908 163.219 -101.061 GPRESSURE: 2014600 241.569 -104.046 206.236 28.4248 10.8781 123.672 264.453 68.5304 -112.503 PRESSAVG: 2014600 37.1637 15.5128 26.337 15.5128 3.24565 -27.8513 26.337 -27.8512 11.3782 GPRESSAVG: 2014600 36.5735 17.2187 24.6587 14.5634 2.75884 -28.0344 27.3131 -30.0085 12.1814 TIMING: 2014600 CPU: 6441.76, 0.00316534/step Wall: 6441.76, 0.00316534/step, 2.62495 hours remaining, 232.605469 MB of memory in use. ENERGY: 2014600 4016.6363 20423.5899 14471.7452 239.0821 -203682.8237 2573.9792 0.0000 0.0000 52086.0903 -109871.7007 299.3395 -161957.7910 -109513.5907 298.3919 23.7581 46.6483 760339.0505 17.2625 17.1712 PRESSURE: 2014800 -89.6352 -46.0998 -20.5564 -46.1005 157.366 -11.4422 -20.5575 -11.4423 -153.448 GPRESSURE: 2014800 60.1732 42.134 -33.0878 -158.171 36.8175 78.1178 -44.3365 -114.647 -105.718 PRESSAVG: 2014800 -20.9326 -15.1715 60.687 -15.1715 41.8829 -26.6549 60.687 -26.6549 -0.613478 GPRESSAVG: 2014800 -21.0759 -13.8709 62.108 -15.2209 41.7123 -26.0224 59.4195 -24.3668 -0.357701 TIMING: 2014800 CPU: 6442.39, 0.00313147/step Wall: 6442.39, 0.00313147/step, 2.59669 hours remaining, 232.605469 MB of memory in use. ENERGY: 2014800 3993.8515 20300.9248 14471.7284 251.9879 -203232.7870 2387.6209 0.0000 0.0000 52139.1009 -109687.5727 299.6441 -161826.6735 -109323.4815 298.5116 -28.5724 -2.9091 761016.3788 6.7789 6.7596 PRESSURE: 2015000 -125.258 -12.7955 96.5456 -12.7954 -365.885 2.46291 96.5457 2.46345 46.452 GPRESSURE: 2015000 -101.446 165.271 121.294 26.5911 -257.785 -73.1621 -56.9151 -37.2215 -1.72435 PRESSAVG: 2015000 24.5069 -32.6701 28.4023 -32.67 -10.025 -29.7159 28.4023 -29.7159 -15.1606 GPRESSAVG: 2015000 24.287 -34.6503 27.5122 -30.2931 -8.33287 -31.4601 27.1085 -30.4678 -16.171 TIMING: 2015000 CPU: 6443.01, 0.00313209/step Wall: 6443.01, 0.00313209/step, 2.59703 hours remaining, 232.605469 MB of memory in use. ENERGY: 2015000 3988.2428 20351.6462 14495.9325 225.8487 -202949.6851 2090.9815 0.0000 0.0000 52186.3077 -109610.7257 299.9154 -161797.0334 -109250.0232 299.0902 -148.2304 -120.3182 760364.7427 -0.2262 -0.0723 PRESSURE: 2015200 254.519 -405.495 -46.8688 -405.494 -172.385 11.7447 -46.8685 11.7438 215.798 GPRESSURE: 2015200 269.292 -371.811 -2.52601 -328.424 -97.7473 -8.50076 -143.001 6.86638 207.619 PRESSAVG: 2015200 60.8827 -10.3894 8.51032 -10.3894 -42.6065 13.7019 8.51029 13.702 -6.88603 GPRESSAVG: 2015200 60.7721 -8.92111 10.5933 -10.9803 -42.7893 15.7346 6.59855 11.5203 -5.83659 TIMING: 2015200 CPU: 6443.64, 0.00313225/step Wall: 6443.64, 0.00313225/step, 2.59698 hours remaining, 232.605469 MB of memory in use. ENERGY: 2015200 3960.5014 20562.8072 14398.9208 257.1521 -203348.0202 2507.1997 0.0000 0.0000 51982.4298 -109679.0092 298.7437 -161661.4390 -109326.3663 298.9442 99.3105 126.3878 761705.5628 3.7967 4.0487 PRESSURE: 2015400 149.152 94.3181 -64.4599 94.3177 -69.2826 284.145 -64.4586 284.145 -665.269 GPRESSURE: 2015400 72.9186 102.377 -106.109 30.4678 82.9021 358.25 -11.5573 197.898 -674.643 PRESSAVG: 2015400 43.2871 -15.374 -64.2857 -15.374 1.81318 -21.1627 -64.2857 -21.1627 8.97315 GPRESSAVG: 2015400 42.5544 -17.4954 -63.8013 -14.6524 2.52854 -21.853 -62.2341 -17.7531 8.6122 TIMING: 2015400 CPU: 6444.27, 0.00313827/step Wall: 6444.27, 0.00313827/step, 2.6018 hours remaining, 232.605469 MB of memory in use. ENERGY: 2015400 3988.5281 20469.1193 14466.5012 255.9278 -203614.0276 2603.7900 0.0000 0.0000 51900.5917 -109929.5696 298.2734 -161830.1613 -109565.0841 298.4889 -195.1334 -172.9407 761596.1847 18.0245 17.8984 PRESSURE: 2015600 -39.9633 22.0577 -185.371 22.0576 -248.078 3.75772 -185.371 3.75879 -34.3672 GPRESSURE: 2015600 -55.3688 150.581 -182.989 30.5985 -252.9 13.567 -122.417 60.2043 76.9448 PRESSAVG: 2015600 -4.99388 -6.4249 -16.3383 -6.4248 -9.95501 12.0898 -16.3383 12.0898 -10.8298 GPRESSAVG: 2015600 -4.94397 -4.94455 -16.6767 -8.67197 -9.61646 12.9935 -17.5317 9.75539 -11.2173 TIMING: 2015600 CPU: 6444.9, 0.00315214/step Wall: 6444.9, 0.00315214/step, 2.61313 hours remaining, 232.605469 MB of memory in use. ENERGY: 2015600 3945.7888 20391.6557 14512.1137 249.0749 -203262.4337 2359.0830 0.0000 0.0000 51829.7497 -109974.9680 297.8663 -161804.7177 -109622.7991 298.2406 -107.4696 -77.1081 761332.0718 -8.5929 -8.5926 PRESSURE: 2015800 226.345 -144.274 165.436 -144.272 223.85 -288.628 165.437 -288.627 -16.8668 GPRESSURE: 2015800 294.166 -144.1 184.659 -93.108 281.316 -296.305 65.0114 -127.192 -42.8425 PRESSAVG: 2015800 25.4251 -6.18651 -29.1014 -6.1865 -32.7779 -2.75761 -29.1015 -2.75766 -1.01657 GPRESSAVG: 2015800 27.0365 -7.14002 -29.9103 -5.10385 -35.0193 -3.8574 -27.6133 -2.78127 -0.326577 TIMING: 2015800 CPU: 6445.52, 0.00313086/step Wall: 6445.52, 0.00313086/step, 2.59531 hours remaining, 232.605469 MB of memory in use. ENERGY: 2015800 3964.2564 20323.6851 14471.4450 262.0700 -203091.6201 2380.7844 0.0000 0.0000 51990.7699 -109698.6094 298.7917 -161689.3794 -109317.0348 298.4758 144.4427 177.5466 760863.8243 -2.7898 -2.7698 PRESSURE: 2016000 158.185 -73.5711 -91.9111 -73.5717 269.491 -122.825 -91.9106 -122.824 -164.695 GPRESSURE: 2016000 186.514 -71.0868 -156.373 -110.671 258.909 -172.567 -86.7979 -177.177 -116.603 PRESSAVG: 2016000 -3.20882 -22.3294 -19.7819 -22.3294 -15.2219 11.7582 -19.7819 11.7582 -5.24296 GPRESSAVG: 2016000 -2.84483 -22.1916 -21.3373 -21.1739 -14.4128 12.5219 -19.8564 13.5933 -5.78996 TIMING: 2016000 CPU: 6446.15, 0.00315659/step Wall: 6446.15, 0.00315659/step, 2.61646 hours remaining, 232.605469 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: 2016000 4011.1265 20420.2786 14448.2573 245.9319 -203491.7576 2599.0045 0.0000 0.0000 51929.1842 -109837.9745 298.4377 -161767.1587 -109470.8411 298.8008 87.6605 109.6066 762966.4776 -7.8912 -7.6825 PRESSURE: 2016200 -365.979 64.909 -140.603 64.9095 -410.273 -19.2897 -140.603 -19.2893 185.962 GPRESSURE: 2016200 -469.486 -0.78982 -127.446 45.6051 -173.266 -27.5397 -36.8991 12.0143 143.168 PRESSAVG: 2016200 -31.3723 13.4906 -16.5812 13.4907 31.2923 -5.08264 -16.5812 -5.08273 22.6078 GPRESSAVG: 2016200 -32.0704 11.4213 -16.842 13.7643 31.5652 -6.10991 -16.6893 -6.97409 23.0158 TIMING: 2016200 CPU: 6446.78, 0.0031536/step Wall: 6446.78, 0.0031536/step, 2.61381 hours remaining, 232.605469 MB of memory in use. ENERGY: 2016200 3976.6080 20493.5010 14480.6716 255.7585 -203768.0720 2887.8340 0.0000 0.0000 51979.4755 -109694.2234 298.7268 -161673.6989 -109332.6732 298.9228 -196.7633 -166.5278 762040.9375 7.5092 7.5035 LDB: ============= START OF LOAD BALANCING ============== 6459.2 LDB: ============== END OF LOAD BALANCING =============== 6459.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6459.21 LDB: ============= START OF LOAD BALANCING ============== 6459.52 LDB: Largest compute 7078 load 0.033179 is 17.0% of average load 0.195325 LDB: Average compute 0.004407 is 2.3% of average load 0.195325 LDB: TIME 6459.52 LOAD: AVG 0.195325 MAX 0.214464 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.434 MB LDB: TIME 6459.52 LOAD: AVG 0.195325 MAX 0.214464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.633 MB LDB: TIME 6459.52 LOAD: AVG 0.195325 MAX 0.214464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.633 MB LDB: ============== END OF LOAD BALANCING =============== 6459.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6459.53 PRESSURE: 2016400 497.492 190.792 38.082 190.792 175.574 -66.4248 38.0823 -66.4239 332.717 GPRESSURE: 2016400 451.135 105.306 44.4837 324.99 289.63 34.6772 66.8061 -4.95028 349.287 PRESSAVG: 2016400 13.0704 -21.0929 -20.4679 -21.0929 -10.5119 -24.3359 -20.4679 -24.3359 15.7747 GPRESSAVG: 2016400 12.1593 -19.6025 -19.9801 -21.0367 -9.71546 -23.6298 -18.7362 -23.4928 15.8047 TIMING: 2016400 CPU: 6447.42, 0.00319981/step Wall: 6447.42, 0.00319981/step, 2.65193 hours remaining, 232.343750 MB of memory in use. ENERGY: 2016400 3909.2157 20670.7946 14471.4266 245.7259 -203868.0816 2835.3329 0.0000 0.0000 52056.5070 -109679.0789 299.1695 -161735.5859 -109329.4070 298.8940 335.2610 363.3504 760960.5570 6.1111 6.0829 PRESSURE: 2016600 -275.655 -5.52002 153.037 -5.52088 -180.544 269.22 153.038 269.22 33.0347 GPRESSURE: 2016600 -91.2174 -64.0822 149.063 3.5374 -210.66 210.991 72.9701 146.418 -7.11983 PRESSAVG: 2016600 30.2783 30.3162 19.2593 30.3163 7.83846 43.5621 19.2594 43.5621 -9.60717 GPRESSAVG: 2016600 30.8602 31.3533 19.553 29.984 6.65873 43.1365 17.6245 44.8702 -9.2308 TIMING: 2016600 CPU: 6448.05, 0.00314485/step Wall: 6448.05, 0.00314485/step, 2.6062 hours remaining, 232.343750 MB of memory in use. ENERGY: 2016600 3936.1439 20379.8884 14449.0673 235.4353 -202966.7174 2352.4614 0.0000 0.0000 52061.7507 -109551.9704 299.1996 -161613.7211 -109185.8137 299.2999 -141.0546 -102.9992 761500.5909 9.5032 9.4294 PRESSURE: 2016800 -181.81 21.6721 -141.198 21.6704 112.805 14.2842 -141.197 14.2833 -45.3987 GPRESSURE: 2016800 -123.678 28.4235 -125.131 118.59 129.745 20.44 -94.8995 -45.5498 -0.39147 PRESSAVG: 2016800 -39.7941 -16.9948 -11.0861 -16.9948 20.5264 -13.3102 -11.0861 -13.3102 16.6387 GPRESSAVG: 2016800 -39.3737 -15.0976 -10.9509 -20.1189 21.3759 -13.4729 -10.7417 -16.111 15.3005 TIMING: 2016800 CPU: 6448.69, 0.00316016/step Wall: 6448.69, 0.00316016/step, 2.61872 hours remaining, 232.343750 MB of memory in use. ENERGY: 2016800 4049.0112 20402.2975 14503.6924 225.1497 -203981.3303 2920.5399 0.0000 0.0000 52269.6934 -109610.9463 300.3946 -161880.6397 -109245.2572 299.7730 -38.1346 1.8918 760603.6666 -0.8763 -0.8991 PRESSURE: 2017000 33.1867 -93.9272 140.712 -93.927 -103.295 93.4759 140.711 93.4762 -31.0654 GPRESSURE: 2017000 67.351 -44.4334 158.452 -29.4278 -30.9954 5.69942 135.936 64.9369 -54.1224 PRESSAVG: 2017000 -3.50668 -23.8414 -53.4692 -23.8413 -4.5376 12.4467 -53.4692 12.4468 -27.0659 GPRESSAVG: 2017000 -3.61673 -24.3694 -53.8131 -21.0727 -5.0071 11.6345 -52.7805 15.6458 -26.2219 TIMING: 2017000 CPU: 6449.32, 0.00315255/step Wall: 6449.32, 0.00315255/step, 2.61224 hours remaining, 232.343750 MB of memory in use. ENERGY: 2017000 3985.6485 20414.8918 14599.4033 230.8224 -203497.4249 2550.1238 0.0000 0.0000 51952.3403 -109764.1947 298.5708 -161716.5350 -109397.2941 298.8589 -33.7245 -5.9223 760612.5618 -11.7034 -11.6152 PRESSURE: 2017200 -377.826 226.485 -134.311 226.485 190.308 -29.2576 -134.311 -29.2571 213.486 GPRESSURE: 2017200 -338.967 71.0773 -183.251 266.52 141.767 -1.75963 -32.4431 -69.7222 278.265 PRESSAVG: 2017200 -19.4864 20.7166 15.6586 20.7166 2.30223 -34.9701 15.6586 -34.9702 6.74715 GPRESSAVG: 2017200 -18.0977 20.6524 16.8761 19.29 1.27292 -33.2431 14.5773 -37.5012 6.24749 TIMING: 2017200 CPU: 6449.95, 0.00315308/step Wall: 6449.95, 0.00315308/step, 2.6125 hours remaining, 232.343750 MB of memory in use. ENERGY: 2017200 3992.3499 20391.7531 14417.8063 241.1655 -203501.0492 2562.4151 0.0000 0.0000 52355.5766 -109539.9827 300.8882 -161895.5592 -109187.8544 298.5927 8.6557 27.0217 761370.0302 -3.4790 -3.5258 PRESSURE: 2017400 -159.355 -17.67 -236.838 -17.6708 6.36436 -127.739 -236.837 -127.738 -121.256 GPRESSURE: 2017400 -137.299 25.9011 -265.827 51.0585 -13.0369 -155.216 -192.694 -83.2893 -59.5188 PRESSAVG: 2017400 -17.1299 -25.0435 -29.6481 -25.0435 6.46175 22.6983 -29.648 22.6983 -3.17647 GPRESSAVG: 2017400 -20.778 -26.2939 -30.3263 -24.0102 8.79783 20.7247 -31.1036 23.428 -1.90584 TIMING: 2017400 CPU: 6450.58, 0.00316007/step Wall: 6450.58, 0.00316007/step, 2.61811 hours remaining, 232.343750 MB of memory in use. ENERGY: 2017400 3928.5046 20592.4510 14395.5167 225.0259 -203199.8601 2439.6940 0.0000 0.0000 51885.3311 -109733.3369 298.1857 -161618.6680 -109374.0612 298.7719 -91.4157 -69.9515 761092.8280 -4.6149 -4.6287 PRESSURE: 2017600 -431.177 -38.5113 34.3163 -38.5117 -11.3653 -51.5878 34.3164 -51.5877 159.851 GPRESSURE: 2017600 -395.253 57.9571 66.6892 -69.5136 42.638 -153.691 -50.5917 -6.43012 141.907 PRESSAVG: 2017600 -39.4471 -22.3207 3.77594 -22.3207 40.3239 -4.45747 3.77591 -4.4575 6.27375 GPRESSAVG: 2017600 -38.6745 -23.2787 4.14832 -22.449 39.4225 -3.20948 4.97123 -5.12346 6.05869 TIMING: 2017600 CPU: 6451.21, 0.00313707/step Wall: 6451.21, 0.00313707/step, 2.59889 hours remaining, 232.343750 MB of memory in use. ENERGY: 2017600 3973.0393 20429.5953 14468.9264 248.3883 -203680.0509 2890.9545 0.0000 0.0000 51925.9745 -109743.1727 298.4193 -161669.1472 -109380.3827 298.7312 -94.2302 -70.2360 762319.2964 2.3835 2.2689 PRESSURE: 2017800 -127.435 52.2245 -313.438 52.2244 -67.4383 93.9 -313.437 93.9011 -83.7315 GPRESSURE: 2017800 -51.0706 151.654 -308.364 92.8642 -24.1824 58.8274 -270.721 219.163 -88.8374 PRESSAVG: 2017800 -70.3391 13.2083 -51.3538 13.2083 55.9378 -6.24292 -51.3538 -6.24294 17.1861 GPRESSAVG: 2017800 -70.2709 14.6068 -51.3922 14.6288 55.3872 -7.85707 -50.9314 -4.21195 17.3667 TIMING: 2017800 CPU: 6451.83, 0.00314034/step Wall: 6451.83, 0.00314034/step, 2.60142 hours remaining, 232.343750 MB of memory in use. ENERGY: 2017800 3936.8751 20509.0336 14404.4802 246.0845 -203608.0636 2668.2561 0.0000 0.0000 52074.3176 -109769.0165 299.2718 -161843.3341 -109404.2848 298.5421 -92.8684 -54.6968 760672.1159 0.9283 0.8277 PRESSURE: 2018000 -157.26 25.5422 39.4376 25.5425 -11.9654 333.802 39.4381 333.803 19.8669 GPRESSURE: 2018000 -237.999 -82.4937 61.1835 56.98 134.8 327.817 82.4865 188.001 59.2337 PRESSAVG: 2018000 -32.0215 -32.6591 18.7173 -32.6591 74.5696 35.7118 18.7174 35.7118 -3.54023 GPRESSAVG: 2018000 -32.0502 -33.9696 17.0751 -34.8826 74.1962 36.5761 19.2401 33.9725 -3.50633 TIMING: 2018000 CPU: 6452.47, 0.00316195/step Wall: 6452.47, 0.00316195/step, 2.61915 hours remaining, 232.343750 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: 2018000 4016.9755 20397.9379 14464.6238 253.5772 -203539.8049 2656.7249 0.0000 0.0000 52174.4237 -109575.5419 299.8471 -161749.9656 -109223.3548 298.9220 -49.7860 -14.6551 761253.8348 13.0026 12.8799 PRESSURE: 2018200 -6.29948 221.994 84.0471 221.994 -73.3108 -127.487 84.0461 -127.486 -45.5229 GPRESSURE: 2018200 29.4363 265.885 69.3103 241.249 132.853 -182.036 36.042 8.25442 -190.73 PRESSAVG: 2018200 0.491237 -36.6964 -0.296001 -36.6963 56.0579 45.0212 -0.296065 45.0211 8.1969 GPRESSAVG: 2018200 0.457224 -34.3524 1.95912 -36.1492 57.1243 46.2817 -1.56185 43.8224 7.04834 TIMING: 2018200 CPU: 6453.09, 0.00313321/step Wall: 6453.09, 0.00313321/step, 2.59517 hours remaining, 232.343750 MB of memory in use. ENERGY: 2018200 3880.1853 20535.4370 14449.5353 258.2577 -203200.4527 2379.4548 0.0000 0.0000 52050.8859 -109646.6967 299.1372 -161697.5826 -109293.8909 299.4865 -41.7111 -9.4802 760884.7246 21.5820 21.5433 PRESSURE: 2018400 -221.961 -12.9776 -99.1235 -12.9775 76.6527 -145.964 -99.123 -145.964 -118.936 GPRESSURE: 2018400 -216.711 2.37766 -82.8377 -93.6367 100.372 -156.075 -95.4563 -118.21 -71.6146 PRESSAVG: 2018400 -15.0426 36.4374 -6.41231 36.4375 -6.01138 -40.776 -6.41228 -40.7759 16.3546 GPRESSAVG: 2018400 -14.4136 36.0188 -6.42725 34.8981 -6.88017 -41.8297 -6.0285 -37.6907 16.347 TIMING: 2018400 CPU: 6453.72, 0.00315139/step Wall: 6453.72, 0.0031514/step, 2.61006 hours remaining, 232.343750 MB of memory in use. ENERGY: 2018400 3978.3259 20426.8698 14515.2644 242.1949 -203050.3063 2225.7973 0.0000 0.0000 52079.9662 -109581.8878 299.3043 -161661.8540 -109211.5658 299.3543 -88.0816 -62.6514 762256.3505 -1.5665 -1.6489 PRESSURE: 2018600 63.0502 36.9576 109.201 36.9585 235.984 67.3282 109.201 67.3281 357.514 GPRESSURE: 2018600 127.68 31.9161 95.691 77.8166 262.63 -3.8627 46.7266 71.9015 337.415 PRESSAVG: 2018600 -18.5514 -17.1266 -14.2864 -17.1266 2.99763 42.9125 -14.2865 42.9126 4.4211 GPRESSAVG: 2018600 -17.6292 -19.229 -16.7873 -13.9285 2.43073 43.8561 -13.344 39.4824 4.02555 TIMING: 2018600 CPU: 6454.35, 0.00315034/step Wall: 6454.35, 0.00315034/step, 2.60901 hours remaining, 232.343750 MB of memory in use. ENERGY: 2018600 3909.5501 20469.3408 14448.0610 234.4584 -203419.9536 2536.4127 0.0000 0.0000 52220.2560 -109601.8746 300.1105 -161822.1306 -109232.7532 299.2455 218.8492 242.5746 760904.5780 -3.7109 -3.7243 PRESSURE: 2018800 -177.953 78.0159 -43.2011 78.0152 72.1514 268.356 -43.201 268.356 583.159 GPRESSURE: 2018800 -13.238 58.2079 -59.5318 -75.3112 131.284 221.295 -101.906 221.245 474.348 PRESSAVG: 2018800 -14.3243 21.0088 -56.5288 21.0087 9.24466 -32.4022 -56.5288 -32.4022 -11.0101 GPRESSAVG: 2018800 -14.7795 22.6408 -56.353 18.1727 10.0699 -33.3531 -54.5942 -30.0273 -11.3384 TIMING: 2018800 CPU: 6454.98, 0.00314848/step Wall: 6454.98, 0.00314848/step, 2.60729 hours remaining, 232.343750 MB of memory in use. ENERGY: 2018800 4090.9218 20573.0834 14505.8964 238.0400 -203492.4940 2689.7712 0.0000 0.0000 51721.9040 -109672.8772 297.2465 -161394.7812 -109319.7567 298.6959 159.1191 197.4648 759713.0931 -5.3632 -5.3494 PRESSURE: 2019000 185.189 -100.558 -110.333 -100.558 -263.182 -243.509 -110.333 -243.509 -359.782 GPRESSURE: 2019000 186.251 -86.697 -101.411 -62.1639 -223.583 -271.722 -141.266 -172.878 -304.406 PRESSAVG: 2019000 -16.869 44.9015 -8.43713 44.9016 16.2686 12.2255 -8.43715 12.2255 -3.16693 GPRESSAVG: 2019000 -17.7158 42.7843 -5.68105 46.9876 17.2177 12.9192 -10.8099 11.8914 -2.66763 TIMING: 2019000 CPU: 6455.61, 0.0031333/step Wall: 6455.61, 0.0031333/step, 2.59455 hours remaining, 232.343750 MB of memory in use. ENERGY: 2019000 4037.1393 20451.2310 14461.5673 255.8957 -203316.5266 2722.5082 0.0000 0.0000 51778.9910 -109609.1941 297.5746 -161388.1851 -109235.3218 299.3933 -145.9248 -113.9130 762282.9747 -1.2558 -1.0553 PRESSURE: 2019200 -156.57 -95.2098 23.4292 -95.2102 276.008 -87.7909 23.4297 -87.7922 181.201 GPRESSURE: 2019200 -115.101 -80.6 61.6257 -26.5229 332.812 30.1394 -50.2051 -172.863 160.554 PRESSAVG: 2019200 -46.105 -14.8348 -9.44612 -14.8348 72.5361 12.5808 -9.44618 12.5808 13.4714 GPRESSAVG: 2019200 -46.231 -14.104 -11.0965 -15.6279 71.5325 13.3951 -9.04048 11.8957 14.503 TIMING: 2019200 CPU: 6456.24, 0.0031334/step Wall: 6456.24, 0.0031334/step, 2.59445 hours remaining, 232.343750 MB of memory in use. ENERGY: 2019200 3986.5158 20528.4153 14451.3076 232.0543 -203716.3106 2815.1301 0.0000 0.0000 52218.6003 -109484.2872 300.1010 -161702.8875 -109130.7966 299.0948 100.2132 126.0881 759705.3124 13.3008 13.2682 PRESSURE: 2019400 -402.589 -113.137 -290.063 -113.136 -103.442 84.2981 -290.063 84.2988 4.94154 GPRESSURE: 2019400 -266.975 -178.781 -263.883 -159.665 -131.318 174.323 -278.046 -20.9556 -24.3183 PRESSAVG: 2019400 -27.9291 -50.9985 -16.3108 -50.9985 -9.4677 21.2144 -16.3108 21.2144 -22.1855 GPRESSAVG: 2019400 -26.067 -50.0108 -17.74 -50.8705 -10.6715 20.4409 -14.7806 21.2803 -23.2345 TIMING: 2019400 CPU: 6456.87, 0.00314806/step Wall: 6456.87, 0.00314806/step, 2.60642 hours remaining, 232.343750 MB of memory in use. ENERGY: 2019400 3994.0949 20494.9092 14444.6454 237.7531 -203533.3506 2617.7773 0.0000 0.0000 52016.8341 -109727.3366 298.9415 -161744.1706 -109358.9684 299.6161 -167.0300 -140.8705 762147.6674 -19.8608 -19.9910 PRESSURE: 2019600 -395.748 -3.87982 -145.663 -3.88008 -80.3033 -50.7936 -145.663 -50.7942 -92.0844 GPRESSURE: 2019600 -355.631 -26.4699 -128.9 -20.4736 2.25664 -100.576 -180.126 -37.8745 -115.662 PRESSAVG: 2019600 -50.1643 -20.421 8.84156 -20.4209 47.5177 -44.187 8.84155 -44.187 27.4568 GPRESSAVG: 2019600 -51.6798 -22.3047 10.2544 -19.8406 47.7943 -43.9739 8.49151 -45.5235 28.9246 TIMING: 2019600 CPU: 6457.49, 0.00314112/step Wall: 6457.49, 0.00314112/step, 2.6005 hours remaining, 232.343750 MB of memory in use. ENERGY: 2019600 4052.4025 20430.4273 14410.9023 261.9968 -203177.3860 2381.6655 0.0000 0.0000 52275.9019 -109364.0897 300.4303 -161639.9915 -109007.0569 299.7439 -189.3786 -156.3458 763088.2174 8.2700 8.3464 PRESSURE: 2019800 -485.589 -8.56699 -255.982 -8.5669 -323.846 104.156 -255.983 104.158 -283.239 GPRESSURE: 2019800 -377.794 -69.4584 -203.502 -101.232 -331.293 69.0812 -309.281 184.795 -307.644 PRESSAVG: 2019800 -49.9682 -42.6396 -22.8222 -42.6396 10.346 -11.6807 -22.8222 -11.6806 27.5709 GPRESSAVG: 2019800 -47.839 -41.7207 -24.3954 -43.7325 9.331 -10.9747 -24.1076 -10.684 26.1658 TIMING: 2019800 CPU: 6458.13, 0.00318031/step Wall: 6458.13, 0.00318031/step, 2.63277 hours remaining, 232.343750 MB of memory in use. ENERGY: 2019800 4044.3402 20425.8405 14412.6206 237.2887 -202966.6067 2341.3356 0.0000 0.0000 52204.1572 -109301.0239 300.0180 -161505.1811 -108940.2215 299.7446 -364.2248 -338.9103 761935.4829 -4.0171 -4.1141 PRESSURE: 2020000 -5.3771 -33.676 -45.2342 -33.6763 3.82628 -219.02 -45.2345 -219.02 -211.694 GPRESSURE: 2020000 20.4759 -187.041 17.7336 -101.813 -25.936 -249.211 -109.026 -307.535 -128.977 PRESSAVG: 2020000 -60.5049 -58.6923 -21.5492 -58.6923 29.632 14.2386 -21.5491 14.2386 -2.0129 GPRESSAVG: 2020000 -61.8306 -59.1272 -21.1571 -59.903 29.7321 14.7827 -20.4073 11.1666 -1.19605 TIMING: 2020000 CPU: 6458.77, 0.00317435/step Wall: 6458.77, 0.00317435/step, 2.62765 hours remaining, 232.343750 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: 2020000 4066.6477 20490.0116 14440.1187 248.4991 -203204.3138 2506.9481 0.0000 0.0000 52072.2098 -109379.8789 299.2597 -161452.0887 -109014.1045 299.4203 -71.0815 -44.8125 761930.1355 -10.9619 -11.0982 PRESSURE: 2020200 187.611 24.9408 96.397 24.941 -22.6914 62.2699 96.3963 62.2704 82.8793 GPRESSURE: 2020200 171.753 67.6589 129.93 14.3177 16.8284 104.505 44.1968 34.338 124.495 PRESSAVG: 2020200 6.45675 -32.6788 -59.9258 -32.6788 -1.29164 18.2835 -59.9258 18.2835 -14.4315 GPRESSAVG: 2020200 5.96857 -33.7717 -58.1181 -33.5423 -0.0986978 18.2375 -61.7898 18.4316 -15.1274 TIMING: 2020200 CPU: 6459.4, 0.00315695/step Wall: 6459.4, 0.00315694/step, 2.61307 hours remaining, 232.343750 MB of memory in use. ENERGY: 2020200 3962.5374 20530.4707 14417.1634 234.2313 -203395.3152 2853.6170 0.0000 0.0000 52027.7270 -109369.5685 299.0041 -161397.2955 -109006.8151 299.4099 82.5996 104.3590 761571.3493 -3.0888 -3.0858 LDB: ============= START OF LOAD BALANCING ============== 6471.82 LDB: ============== END OF LOAD BALANCING =============== 6471.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6471.82 LDB: ============= START OF LOAD BALANCING ============== 6472.14 LDB: Largest compute 7059 load 0.034516 is 17.7% of average load 0.195450 LDB: Average compute 0.004388 is 2.2% of average load 0.195450 LDB: TIME 6472.14 LOAD: AVG 0.19545 MAX 0.214941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.34 MB LDB: TIME 6472.14 LOAD: AVG 0.19545 MAX 0.214941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.543 MB LDB: TIME 6472.14 LOAD: AVG 0.19545 MAX 0.214941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.543 MB LDB: ============== END OF LOAD BALANCING =============== 6472.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6472.15 PRESSURE: 2020400 -440.922 -136 -262.471 -136.001 175.48 -53.1457 -262.47 -53.1458 -63.6101 GPRESSURE: 2020400 -237.712 -108.596 -272.498 -114.633 153.082 0.293626 -138.808 34.0236 -182.542 PRESSAVG: 2020400 2.4953 -49.477 3.64989 -49.4769 -19.9438 -17.1663 3.64992 -17.1663 10.9575 GPRESSAVG: 2020400 2.56749 -49.1205 2.77846 -47.0356 -20.5395 -20.1944 4.10115 -15.1467 12.0851 TIMING: 2020400 CPU: 6460.04, 0.003237/step Wall: 6460.04, 0.003237/step, 2.67916 hours remaining, 231.367188 MB of memory in use. ENERGY: 2020400 3993.0281 20596.5916 14488.2150 253.1222 -203402.3361 2579.4631 0.0000 0.0000 52035.2272 -109456.6889 299.0472 -161491.9161 -109087.5356 299.1399 -109.6841 -89.0573 760851.0655 -2.1636 -1.9623 PRESSURE: 2020600 1.26565 -3.57876 -30.7168 -3.57905 -33.2136 -105.665 -30.7167 -105.664 -165.569 GPRESSURE: 2020600 44.3314 56.0481 118.077 -6.31731 -34.0836 -100.367 -119.713 -169.333 -109.913 PRESSAVG: 2020600 0.854765 20.8626 15.0135 20.8626 8.28246 -3.078 15.0136 -3.07798 -5.57745 GPRESSAVG: 2020600 1.08445 21.906 16.5434 17.8343 8.75837 -1.63352 15.8352 -4.51614 -6.16083 TIMING: 2020600 CPU: 6460.67, 0.00313123/step Wall: 6460.67, 0.00313123/step, 2.59144 hours remaining, 231.367188 MB of memory in use. ENERGY: 2020600 3991.4498 20384.4533 14548.1846 246.8282 -203719.8464 2684.2208 0.0000 0.0000 52343.4432 -109521.2667 300.8185 -161864.7098 -109161.4907 299.3634 -65.8389 -33.2218 759488.0158 1.1866 1.2273 PRESSURE: 2020800 -5.93735 -7.20755 -3.20539 -7.20839 -118.062 38.1721 -3.20578 38.1729 -281.002 GPRESSURE: 2020800 76.5374 -25.669 -6.92284 26.1045 -33.7064 33.9845 -83.9602 136.263 -347.568 PRESSAVG: 2020800 27.4485 -15.1282 -9.02941 -15.1283 -6.8603 4.65015 -9.02942 4.6501 -14.1803 GPRESSAVG: 2020800 28.3129 -13.0097 -11.2149 -13.7506 -6.40133 3.70151 -9.3237 5.61429 -15.3347 TIMING: 2020800 CPU: 6461.3, 0.00313288/step Wall: 6461.3, 0.00313288/step, 2.59263 hours remaining, 231.367188 MB of memory in use. ENERGY: 2020800 4036.2027 20448.6351 14494.5421 256.0962 -203267.1677 2609.5018 0.0000 0.0000 52029.5581 -109392.6317 299.0146 -161422.1898 -109019.4877 299.4959 -135.0005 -101.5790 759414.6716 2.1360 2.1923 PRESSURE: 2021000 -101.691 -145.037 -113.271 -145.038 -316.949 -361.791 -113.272 -361.791 0.807148 GPRESSURE: 2021000 -35.3525 -161.764 -81.0449 -130.919 -305.936 -257.817 -95.788 -347.417 -3.90974 PRESSAVG: 2021000 -0.184549 -38.5062 -9.65848 -38.5063 -21.9503 57.0672 -9.65848 57.0672 18.3631 GPRESSAVG: 2021000 0.334004 -40.5525 -8.26131 -37.5226 -24.2444 56.3616 -10.2999 58.3707 20.4942 TIMING: 2021000 CPU: 6461.92, 0.00313525/step Wall: 6461.92, 0.00313525/step, 2.59442 hours remaining, 231.367188 MB of memory in use. ENERGY: 2021000 3981.2390 20385.5495 14565.2325 249.5740 -203821.2382 2689.3049 0.0000 0.0000 52242.3835 -109707.9549 300.2377 -161950.3384 -109344.6945 299.8492 -139.2778 -115.0660 758915.8972 -1.2572 -1.1387 PRESSURE: 2021200 91.6814 -181.433 84.6662 -181.433 -255.08 -62.2124 84.6665 -62.2121 -146.089 GPRESSURE: 2021200 116.699 -124.48 83.3406 -169.582 -161.251 -99.0304 -25.7791 -60.8063 -174.001 PRESSAVG: 2021200 48.3412 4.65864 30.3678 4.65871 -63.43 26.5121 30.3678 26.512 3.45636 GPRESSAVG: 2021200 47.2188 5.84561 29.066 4.51345 -61.0103 27.5555 30.524 26.5325 2.49612 TIMING: 2021200 CPU: 6462.55, 0.00313358/step Wall: 6462.55, 0.00313358/step, 2.59287 hours remaining, 231.367188 MB of memory in use. ENERGY: 2021200 4036.2409 20416.4018 14469.9920 218.2443 -203644.3434 2752.9499 0.0000 0.0000 52186.8941 -109563.6204 299.9188 -161750.5145 -109197.7673 299.5761 -103.1625 -72.8510 761100.6142 -3.8775 -3.7651 PRESSURE: 2021400 16.2855 18.123 163.889 18.122 240.153 -43.9414 163.89 -43.9424 -144.556 GPRESSURE: 2021400 93.7883 123.695 237.692 105.481 203.298 -39.7951 148.53 4.33063 -120.373 PRESSAVG: 2021400 -30.1683 17.0737 29.3012 17.0736 -4.24976 3.25339 29.3013 3.25342 14.198 GPRESSAVG: 2021400 -30.6316 16.4036 29.9911 17.4297 -5.00785 1.57036 30.5947 3.23263 14.9493 TIMING: 2021400 CPU: 6463.18, 0.0031443/step Wall: 6463.18, 0.0031443/step, 2.60156 hours remaining, 231.367188 MB of memory in use. ENERGY: 2021400 3949.6336 20657.2684 14431.3495 253.7148 -203454.2185 2489.6173 0.0000 0.0000 52099.6390 -109572.9959 299.4173 -161672.6349 -109209.7992 299.2712 37.2941 58.9044 760516.3194 -6.7400 -6.8967 PRESSURE: 2021600 147.437 94.2256 -117.037 94.2262 -71.9049 84.3248 -117.038 84.325 -197.713 GPRESSURE: 2021600 207.069 132.057 -56.4775 57.3428 -50.7189 39.369 -68.528 72.1426 -180.641 PRESSAVG: 2021600 -0.0414894 21.6494 15.3121 21.6494 67.1967 -35.4111 15.3121 -35.411 -7.64796 GPRESSAVG: 2021600 1.68139 22.2742 14.9672 21.0502 66.3593 -34.6343 14.4808 -37.1035 -8.14789 TIMING: 2021600 CPU: 6463.8, 0.00311768/step Wall: 6463.8, 0.00311768/step, 2.57936 hours remaining, 231.367188 MB of memory in use. ENERGY: 2021600 4076.2658 20395.2254 14404.9711 238.3657 -203304.2800 2451.4920 0.0000 0.0000 52179.0394 -109558.9204 299.8737 -161737.9599 -109204.7465 299.8159 -40.7272 -8.0969 758637.0142 19.8358 19.9643 PRESSURE: 2021800 5.72363 -79.2135 20.4194 -79.2136 -211.223 -99.5641 20.4199 -99.5633 151.92 GPRESSURE: 2021800 -0.0105425 -103.273 34.4967 83.3234 -142.556 -98.1461 -25.7373 -64.743 172.692 PRESSAVG: 2021800 -19.9391 -9.7669 27.5657 -9.76687 27.9889 -52.54 27.5657 -52.54 1.46248 GPRESSAVG: 2021800 -20.5766 -11.3097 26.9149 -9.48611 29.5126 -53.3541 28.2646 -48.92 0.217904 TIMING: 2021800 CPU: 6464.43, 0.00312928/step Wall: 6464.43, 0.00312928/step, 2.58878 hours remaining, 231.367188 MB of memory in use. ENERGY: 2021800 4085.6305 20691.0107 14395.6958 284.9775 -203496.3118 2563.6410 0.0000 0.0000 51808.8210 -109666.5353 297.7460 -161475.3563 -109308.9847 299.4778 -17.8598 10.0419 759872.0594 3.1708 3.0513 PRESSURE: 2022000 107.685 -33.1616 -14.1091 -33.1614 23.1985 -39.6326 -14.1089 -39.6323 357.006 GPRESSURE: 2022000 80.5239 -36.7864 57.3603 -1.47927 130.376 -98.5351 -72.35 -4.67695 359.767 PRESSAVG: 2022000 -25.7089 21.3655 -21.4796 21.3654 23.5298 -32.1549 -21.4796 -32.1549 23.8433 GPRESSAVG: 2022000 -27.4525 21.9884 -20.2032 21.0554 23.4203 -29.9883 -22.6361 -35.6508 25.2329 TIMING: 2022000 CPU: 6465.06, 0.0031519/step Wall: 6465.06, 0.0031519/step, 2.60732 hours remaining, 231.367188 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: 2022000 3972.2795 20658.9648 14420.6883 234.2262 -203333.0875 2412.9655 0.0000 0.0000 52252.3687 -109381.5944 300.2951 -161633.9631 -109018.7355 299.7239 162.6299 190.2224 760756.3967 7.2214 7.0669 PRESSURE: 2022200 -86.2539 -43.8568 16.8669 -43.8567 -271.138 122.447 16.8668 122.446 -65.3115 GPRESSURE: 2022200 -118.032 -13.379 26.145 5.99473 -190.512 137.757 146.653 143.212 -24.219 PRESSAVG: 2022200 -4.84333 -2.0968 -1.67647 -2.09684 -5.73711 3.88338 -1.67649 3.88339 -10.625 GPRESSAVG: 2022200 -3.7361 -3.33002 -2.04914 -1.64904 -6.62474 4.42138 -1.86396 4.77109 -10.4979 TIMING: 2022200 CPU: 6465.69, 0.00313605/step Wall: 6465.69, 0.00313605/step, 2.59403 hours remaining, 231.367188 MB of memory in use. ENERGY: 2022200 4000.5720 20603.8148 14417.9227 265.5277 -202994.3087 2265.9987 0.0000 0.0000 52088.9372 -109351.5356 299.3558 -161440.4728 -108983.9901 299.7700 -140.9012 -110.9211 761213.3188 -7.0685 -6.9529 PRESSURE: 2022400 -243.919 -25.7585 -153.73 -25.7584 -176.326 93.3163 -153.73 93.317 66.704 GPRESSURE: 2022400 -223.88 -52.0143 -75.1542 -31.1565 -101.511 15.8132 -158.255 82.6476 46.8101 PRESSAVG: 2022400 17.1416 -84.3051 -51.4266 -84.3051 -11.9806 26.773 -51.4267 26.7731 -4.96 GPRESSAVG: 2022400 17.9813 -82.3218 -51.0995 -83.2189 -13.0473 26.6457 -52.3401 26.0115 -5.01015 TIMING: 2022400 CPU: 6466.31, 0.00313906/step Wall: 6466.31, 0.00313906/step, 2.59635 hours remaining, 231.367188 MB of memory in use. ENERGY: 2022400 3949.8921 20442.5849 14431.2377 258.5945 -203406.4551 2479.1102 0.0000 0.0000 52265.1259 -109579.9098 300.3684 -161845.0357 -109215.0127 299.9226 -117.8469 -92.8604 761148.9336 0.0670 -0.0254 PRESSURE: 2022600 -191.035 -128.476 73.683 -128.476 138.362 -71.2113 73.6836 -71.2115 444.029 GPRESSURE: 2022600 -48.8377 -11.8561 75.1268 -148.495 73.3261 -132.34 -3.45857 -24.9567 420.1 PRESSAVG: 2022600 -41.8631 -61.4082 37.7955 -61.4082 11.8336 -5.16914 37.7955 -5.16914 9.48435 GPRESSAVG: 2022600 -42.2943 -60.9953 37.3667 -63.4615 13.1935 -5.68824 37.9445 -2.05798 8.89265 TIMING: 2022600 CPU: 6466.94, 0.00312741/step Wall: 6466.94, 0.00312741/step, 2.58654 hours remaining, 231.367188 MB of memory in use. ENERGY: 2022600 4006.4828 20513.7375 14372.6634 249.0591 -203624.9389 2703.6005 0.0000 0.0000 52148.4838 -109630.9118 299.6981 -161779.3956 -109271.2789 299.1652 130.4523 148.1960 760406.6122 -6.8484 -6.7360 PRESSURE: 2022800 304.626 -48.835 24.6751 -48.835 113.729 -143.749 24.6752 -143.749 198.665 GPRESSURE: 2022800 330.487 -17.7574 89.1885 49.7085 106.358 -97.1297 130.97 -141.23 259.568 PRESSAVG: 2022800 -75.6795 -66.2428 -34.2098 -66.2428 37.2536 27.8186 -34.2098 27.8186 12.1222 GPRESSAVG: 2022800 -75.4886 -68.2643 -33.0201 -64.7299 36.7934 27.6672 -33.1853 25.8147 12.6593 TIMING: 2022800 CPU: 6467.56, 0.00311956/step Wall: 6467.56, 0.00311956/step, 2.57987 hours remaining, 231.367188 MB of memory in use. ENERGY: 2022800 3974.2564 20538.8897 14415.0454 249.9256 -203435.9502 2808.3664 0.0000 0.0000 51977.1975 -109472.2693 298.7137 -161449.4667 -109105.5709 299.2385 205.6735 232.1377 760162.5163 -8.7679 -8.6786 PRESSURE: 2023000 -391.509 77.3 73.538 77.3005 -2.7387 27.4435 73.5379 27.4436 -186.798 GPRESSURE: 2023000 -305.658 70.6561 120.464 8.75948 -47.058 55.4849 126.257 45.2011 -132.978 PRESSAVG: 2023000 -40.9015 -9.17048 -5.84732 -9.17052 57.7611 -11.7962 -5.84723 -11.7962 -22.3898 GPRESSAVG: 2023000 -41.2359 -7.42682 -6.31847 -9.76552 58.122 -11.9628 -6.6301 -13.1179 -22.5045 TIMING: 2023000 CPU: 6468.19, 0.00312313/step Wall: 6468.19, 0.00312313/step, 2.58265 hours remaining, 231.367188 MB of memory in use. ENERGY: 2023000 4020.9231 20510.6804 14438.9746 256.5819 -203319.4091 2607.7605 0.0000 0.0000 52112.7505 -109371.7382 299.4927 -161484.4887 -109016.6888 299.9404 -193.6818 -161.8978 761845.3886 -1.8434 -1.8728 PRESSURE: 2023200 -190.336 61.6375 -288.483 61.6373 -34.6327 -55.0351 -288.483 -55.0351 80.1283 GPRESSURE: 2023200 -213.452 58.9665 -190.318 43.2307 -0.897554 -36.3319 -296.809 -224.987 156.518 PRESSAVG: 2023200 -52.9494 19.1719 -26.9638 19.172 -1.20776 17.3824 -26.9638 17.3823 26.6122 GPRESSAVG: 2023200 -52.6443 16.4459 -26.5395 21.3471 -0.830027 18.286 -28.4732 17.3051 25.8674 TIMING: 2023200 CPU: 6468.81, 0.0031299/step Wall: 6468.81, 0.0031299/step, 2.58808 hours remaining, 231.367188 MB of memory in use. ENERGY: 2023200 4034.2085 20520.7588 14391.1649 231.7504 -203158.7544 2529.5294 0.0000 0.0000 51985.4692 -109465.8731 298.7612 -161451.3424 -109094.3755 299.7268 -48.2800 -19.2769 762667.6791 -9.1817 -9.2023 PRESSURE: 2023400 -146.471 -61.0237 105.97 -61.0228 -109.31 -64.308 105.969 -64.3085 -408.348 GPRESSURE: 2023400 -147.652 -198.391 181.123 109.713 18.8289 -91.9691 117.143 -41.0849 -449.773 PRESSAVG: 2023400 -5.11553 -2.69425 -14.9218 -2.69433 26.508 -7.30426 -14.9218 -7.30426 16.1001 GPRESSAVG: 2023400 -5.23935 -0.0666361 -12.4661 -3.52905 26.3057 -6.86596 -15.9437 -6.41537 16.2182 TIMING: 2023400 CPU: 6469.44, 0.00313952/step Wall: 6469.44, 0.00313952/step, 2.59586 hours remaining, 231.367188 MB of memory in use. ENERGY: 2023400 3990.2986 20446.3206 14450.0319 244.0918 -203089.6504 2419.5875 0.0000 0.0000 51926.2179 -109613.1021 298.4207 -161539.3200 -109256.7824 299.1312 -221.3765 -192.8653 761146.2612 12.4976 12.4282 PRESSURE: 2023600 -111.333 124.614 -120.352 124.615 29.782 164.277 -120.353 164.275 -98.1745 GPRESSURE: 2023600 -132.804 204.531 -184.11 132.231 102.301 123.306 40.5038 136.708 -42.4572 PRESSAVG: 2023600 -50.6605 -14.2449 15.7544 -14.2449 43.9702 -68.5939 15.7544 -68.594 36.0833 GPRESSAVG: 2023600 -50.7336 -13.827 14.6154 -15.3052 43.9689 -68.2562 17.8598 -69.7315 36.3767 TIMING: 2023600 CPU: 6470.07, 0.00312936/step Wall: 6470.07, 0.00312936/step, 2.58729 hours remaining, 231.367188 MB of memory in use. ENERGY: 2023600 3980.8893 20357.7462 14490.0685 244.6384 -203206.7061 2367.5509 0.0000 0.0000 52003.5426 -109762.2701 298.8651 -161765.8127 -109406.1721 298.6770 -59.9085 -24.3203 762792.7978 9.7977 9.8707 PRESSURE: 2023800 -264.426 177.132 221.016 177.131 166.098 71.8475 221.016 71.8463 -93.1817 GPRESSURE: 2023800 -101.879 215.998 213.056 85.6793 93.6579 21.8228 115.509 90.107 -109.624 PRESSAVG: 2023800 6.1937 40.0795 2.52933 40.0795 24.8344 -53.2198 2.52933 -53.2199 16.4786 GPRESSAVG: 2023800 8.19936 38.8949 1.73672 40.1357 23.9511 -54.3569 4.1936 -53.3162 15.7993 TIMING: 2023800 CPU: 6470.7, 0.00314421/step Wall: 6470.7, 0.00314421/step, 2.59939 hours remaining, 231.367188 MB of memory in use. ENERGY: 2023800 4022.6956 20542.2231 14443.6499 229.7541 -203551.0750 2668.6918 0.0000 0.0000 52010.8596 -109633.2009 298.9071 -161644.0605 -109278.3077 298.5749 -63.8367 -39.2816 761288.6571 15.8356 15.9832 PRESSURE: 2024000 128.384 -32.9819 -56.6739 -32.9831 26.9956 -71.6711 -56.6735 -71.6714 -389.989 GPRESSURE: 2024000 140.78 -43.6777 -50.7142 25.5665 54.3585 -90.9936 -126.719 -153.322 -332.363 PRESSAVG: 2024000 53.6945 27.8409 -18.3767 27.8409 -30.6127 -48.4523 -18.3767 -48.4523 -2.46459 GPRESSAVG: 2024000 52.1854 27.5075 -18.5607 29.7306 -29.6114 -48.8566 -19.7831 -45.8801 -1.71952 TIMING: 2024000 CPU: 6471.33, 0.0031542/step Wall: 6471.33, 0.0031542/step, 2.60747 hours remaining, 231.367188 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: 2024000 3942.3883 20441.2152 14556.5366 241.7591 -203511.1151 2674.2250 0.0000 0.0000 51884.5049 -109770.4858 298.1810 -161654.9907 -109408.0203 298.3481 -78.2031 -45.7416 761352.0234 6.8724 6.9515 PRESSURE: 2024200 7.99782 52.3182 4.18277 52.318 -101.734 -106.471 4.18308 -106.471 288.11 GPRESSURE: 2024200 -60.858 156.181 -8.62413 -28.9214 -0.807933 -83.7735 46.2826 -43.7204 331.366 PRESSAVG: 2024200 2.18685 9.90119 -94.4539 9.90126 -31.754 20.2944 -94.4538 20.2943 -5.69608 GPRESSAVG: 2024200 2.23831 11.1423 -93.999 8.46649 -32.1446 20.0563 -95.0473 18.9778 -4.89231 TIMING: 2024200 CPU: 6471.96, 0.0031439/step Wall: 6471.96, 0.0031439/step, 2.59878 hours remaining, 231.367188 MB of memory in use. ENERGY: 2024200 3901.8046 20452.2743 14415.4202 264.6982 -204138.2393 3164.4266 0.0000 0.0000 52101.6301 -109837.9854 299.4288 -161939.6155 -109479.0064 298.2260 64.7913 89.9002 759561.2834 -11.7544 -11.5995 LDB: ============= START OF LOAD BALANCING ============== 6484.37 LDB: ============== END OF LOAD BALANCING =============== 6484.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6484.38 LDB: ============= START OF LOAD BALANCING ============== 6484.69 LDB: Largest compute 7033 load 0.033852 is 17.3% of average load 0.195503 LDB: Average compute 0.004393 is 2.2% of average load 0.195503 LDB: TIME 6484.69 LOAD: AVG 0.195503 MAX 0.217824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.453 MB LDB: TIME 6484.69 LOAD: AVG 0.195503 MAX 0.217824 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 6484.69 LOAD: AVG 0.195503 MAX 0.217824 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 6484.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6484.7 PRESSURE: 2024400 -83.2218 -72.4783 -239.658 -72.4773 -145.441 95.6331 -239.657 95.6339 74.2969 GPRESSURE: 2024400 82.3438 -79.1917 -157.097 -113.276 -133.824 29.5844 -179.314 192.762 -14.0933 PRESSAVG: 2024400 -39.2208 -55.158 -41.478 -55.158 -10.9865 12.7291 -41.478 12.7292 5.97689 GPRESSAVG: 2024400 -38.5401 -56.4354 -42.8562 -53.8361 -9.80651 14.4657 -40.7895 13.4938 4.29128 TIMING: 2024400 CPU: 6472.6, 0.00319189/step Wall: 6472.6, 0.00319189/step, 2.63827 hours remaining, 232.070312 MB of memory in use. ENERGY: 2024400 4061.3523 20395.9890 14457.3367 234.7003 -203549.0220 2652.6353 0.0000 0.0000 51806.1631 -109940.8453 297.7307 -161747.0084 -109577.7648 298.3232 -51.4552 -21.8578 761847.4401 -14.7435 -14.6851 PRESSURE: 2024600 -380.089 -52.1513 155.951 -52.1525 -187.235 -140.106 155.952 -140.106 -146.668 GPRESSURE: 2024600 -373.067 -51.1804 124.214 -178.101 -117.225 -104.828 165.947 -149.519 -150.763 PRESSAVG: 2024600 -1.64485 -14.4299 -28.6035 -14.4299 -18.3166 12.3889 -28.6035 12.389 15.5364 GPRESSAVG: 2024600 -0.951948 -13.9466 -29.3344 -14.8927 -20.1388 10.7573 -28.233 13.4739 16.3128 TIMING: 2024600 CPU: 6473.22, 0.00313826/step Wall: 6473.22, 0.00313826/step, 2.59377 hours remaining, 232.527344 MB of memory in use. ENERGY: 2024600 3960.1619 20457.6096 14457.3893 229.0626 -203121.5045 2284.4263 0.0000 0.0000 51878.4057 -109854.4491 298.1459 -161732.8549 -109488.9160 298.1094 -237.9975 -213.6852 761167.7978 -1.4750 -1.5926 PRESSURE: 2024800 -96.8565 63.3182 170.341 63.3183 -282.401 -2.45864 170.34 -2.45836 -416.602 GPRESSURE: 2024800 -132.554 87.0119 124.003 33.7584 -184.945 23.3397 117.998 -10.1695 -400.442 PRESSAVG: 2024800 -26.1446 -24.5409 35.271 -24.5409 33.1676 -43.252 35.271 -43.252 5.03869 GPRESSAVG: 2024800 -28.4381 -24.3284 36.3258 -26.0142 35.0543 -42.4808 35.8427 -45.8102 5.06892 TIMING: 2024800 CPU: 6473.85, 0.00313494/step Wall: 6473.85, 0.00313494/step, 2.59086 hours remaining, 232.742188 MB of memory in use. ENERGY: 2024800 3961.8851 20453.9674 14457.4797 245.6288 -203547.1614 2547.4555 0.0000 0.0000 52081.0964 -109799.6484 299.3108 -161880.7449 -109433.8777 298.4932 -265.2864 -239.3136 761463.8825 4.0205 3.8951 PRESSURE: 2025000 -154.642 241.231 198.06 241.23 -80.4643 72.569 198.059 72.5688 -9.07327 GPRESSURE: 2025000 -92.2744 326.454 132.686 185.428 -112.755 13.9701 165.74 -16.6715 33.6642 PRESSAVG: 2025000 -11.1201 29.5967 -64.4309 29.5967 -4.36571 5.99218 -64.4309 5.9922 21.9859 GPRESSAVG: 2025000 -10.8537 31.0864 -63.3215 30.9372 -5.39519 6.45725 -66.9188 6.11917 21.8755 TIMING: 2025000 CPU: 6474.48, 0.0031401/step Wall: 6474.48, 0.0031401/step, 2.59495 hours remaining, 232.742188 MB of memory in use. ENERGY: 2025000 3914.0610 20481.6384 14402.5667 241.2685 -202811.7558 2100.7810 0.0000 0.0000 52010.7600 -109660.6802 298.9066 -161671.4401 -109296.0668 298.8024 -81.3932 -57.1218 760827.9955 2.1667 1.8755 PRESSURE: 2025200 45.3572 -188.821 -1.91896 -188.822 202.005 -36.9196 -1.91851 -36.9204 304.9 GPRESSURE: 2025200 133.05 -209.704 -47.9607 -254.45 231.026 -12.5362 -43.8631 -92.2273 259.09 PRESSAVG: 2025200 -87.8834 15.9859 -10.2373 15.9859 86.9381 -26.1802 -10.2373 -26.1802 -4.3778 GPRESSAVG: 2025200 -87.8476 16.8123 -11.3586 16.1547 85.6452 -25.5164 -8.73516 -26.2114 -3.52403 TIMING: 2025200 CPU: 6475.11, 0.00314352/step Wall: 6475.11, 0.00314351/step, 2.59759 hours remaining, 232.742188 MB of memory in use. ENERGY: 2025200 3947.5609 20617.1981 14435.0655 245.0297 -203604.3687 2780.5692 0.0000 0.0000 52122.6953 -109456.2500 299.5498 -161578.9453 -109089.0115 299.1069 184.0875 207.7218 760035.8188 -1.7744 -1.9088 PRESSURE: 2025400 -196.809 106.834 31.3084 106.833 -332.383 141.755 31.3081 141.756 -78.3266 GPRESSURE: 2025400 -128.707 40.473 -41.8377 138.038 -300.758 223.479 -9.18324 209.186 -111.53 PRESSAVG: 2025400 9.9275 9.97697 -34.1744 9.97692 -13.1005 -41.2787 -34.1743 -41.2787 -10.4992 GPRESSAVG: 2025400 10.7576 8.22253 -32.5212 9.97663 -12.8504 -43.6854 -36.1503 -38.2071 -11.9541 TIMING: 2025400 CPU: 6475.74, 0.00314411/step Wall: 6475.74, 0.00314411/step, 2.59791 hours remaining, 232.742188 MB of memory in use. ENERGY: 2025400 3987.1865 20562.7775 14385.0149 243.3117 -203227.3903 2249.3814 0.0000 0.0000 52283.6791 -109516.0392 300.4750 -161799.7183 -109162.7541 299.4171 -202.5063 -180.3318 760357.6379 -4.5574 -4.6823 PRESSURE: 2025600 -112.679 -128.989 -202.357 -128.989 52.5525 298.03 -202.356 298.03 -185.651 GPRESSURE: 2025600 -90.565 -114.929 -242.901 -143.915 74.7329 337.038 -169.162 295.047 -136.718 PRESSAVG: 2025600 -28.6874 45.9654 27.4233 45.9654 61.8993 13.0634 27.4233 13.0634 -2.07404 GPRESSAVG: 2025600 -30.0869 45.8726 25.5197 46.1952 63.0318 14.5921 30.8913 12.5465 -2.01154 TIMING: 2025600 CPU: 6476.37, 0.00315864/step Wall: 6476.37, 0.00315864/step, 2.60974 hours remaining, 232.742188 MB of memory in use. ENERGY: 2025600 4018.1690 20398.5036 14536.5230 237.2804 -202751.0865 2013.5919 0.0000 0.0000 51911.9594 -109635.0591 298.3387 -161547.0185 -109270.8648 299.1218 -81.9258 -50.8500 760589.0385 10.3793 10.3111 PRESSURE: 2025800 -532.844 66.2729 -89.1844 66.2727 -56.3586 218.463 -89.1852 218.463 -7.16093 GPRESSURE: 2025800 -507.3 11.2642 -22.8715 32.5236 16.0424 216.603 -87.8721 212.413 -12.1608 PRESSAVG: 2025800 -10.6993 -11.6673 -10.881 -11.6673 41.0948 45.6733 -10.881 45.6733 13.2731 GPRESSAVG: 2025800 -10.9937 -10.2754 -9.77251 -12.4017 41.1789 45.1978 -12.6459 45.4822 13.9392 TIMING: 2025800 CPU: 6477, 0.00314965/step Wall: 6477, 0.00314965/step, 2.60214 hours remaining, 232.742188 MB of memory in use. ENERGY: 2025800 4007.5935 20486.8238 14474.9113 216.8076 -203259.6652 2467.4222 0.0000 0.0000 51987.5810 -109618.5258 298.7733 -161606.1068 -109260.9334 298.8469 -198.7878 -167.8060 761790.6056 14.5562 14.7081 PRESSURE: 2026000 -121.34 67.4456 -48.5886 67.4453 -109.909 6.39568 -48.5885 6.39732 -27.2917 GPRESSURE: 2026000 -2.54706 -13.85 -41.9465 -70.0804 -73.4156 -43.2217 -40.5274 53.8657 -66.2083 PRESSAVG: 2026000 0.148668 -7.88838 -4.76225 -7.8883 -1.03412 -21.1616 -4.76223 -21.1616 24.72 GPRESSAVG: 2026000 0.112249 -10.1226 -6.87723 -6.13179 -0.708566 -21.163 -5.29724 -22.0132 24.2196 TIMING: 2026000 CPU: 6477.62, 0.00313952/step Wall: 6477.62, 0.00313952/step, 2.59359 hours remaining, 232.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2026000 4053.9934 20356.6432 14385.4488 254.7719 -203231.4572 2705.8893 0.0000 0.0000 52010.2350 -109464.4756 298.9035 -161474.7106 -109100.7188 298.8483 -86.1805 -47.3903 760911.2280 7.9449 7.8744 PRESSURE: 2026200 156.701 -71.2584 -38.0834 -71.2575 16.5559 114.083 -38.0844 114.083 19.3507 GPRESSURE: 2026200 253.991 27.9016 6.11741 32.8943 45.8041 119.837 -144.938 86.5686 4.44651 PRESSAVG: 2026200 -6.92496 -9.29676 -22.0101 -9.29685 0.73446 16.7789 -22.0102 16.7789 -9.00698 GPRESSAVG: 2026200 -5.7474 -9.23813 -20.5409 -9.44543 -1.00033 17.0687 -23.0405 17.4261 -9.05403 TIMING: 2026200 CPU: 6478.25, 0.00314377/step Wall: 6478.25, 0.00314377/step, 2.59693 hours remaining, 232.742188 MB of memory in use. ENERGY: 2026200 4058.5014 20283.2556 14511.9635 248.5348 -203518.8381 2775.7805 0.0000 0.0000 52027.6115 -109613.1910 299.0034 -161640.8025 -109252.2975 298.9927 64.2026 101.4139 761402.2919 -5.0658 -5.2673 PRESSURE: 2026400 -36.0599 53.3493 -77.6703 53.3489 -159.479 -144.675 -77.6705 -144.676 -210.202 GPRESSURE: 2026400 -90.9582 12.7747 40.5431 138.64 -87.436 -143.888 -248.893 -78.6574 -132.621 PRESSAVG: 2026400 -6.9294 -39.6532 -67.9273 -39.6532 33.0772 14.1943 -67.9274 14.1943 16.7434 GPRESSAVG: 2026400 -8.21367 -40.8913 -68.8393 -39.0356 34.7125 14.3128 -66.6767 12.3448 16.9998 TIMING: 2026400 CPU: 6478.89, 0.00317004/step Wall: 6478.89, 0.00317004/step, 2.61845 hours remaining, 232.742188 MB of memory in use. ENERGY: 2026400 3981.4751 20596.9269 14497.7333 230.1453 -203238.1354 2290.2363 0.0000 0.0000 52138.3562 -109503.2624 299.6398 -161641.6185 -109133.2019 298.9545 -135.2470 -103.6717 761417.0145 14.2970 14.4995 PRESSURE: 2026600 -208.539 46.3407 -144.693 46.3399 -126.538 88.3716 -144.694 88.3716 55.1037 GPRESSURE: 2026600 -121.378 90.6125 -244.326 88.3531 -167 176.823 -101.34 102.749 78.9115 PRESSAVG: 2026600 30.3397 23.6236 -34.3109 23.6237 10.3193 53.5253 -34.3109 53.5253 0.24487 GPRESSAVG: 2026600 32.2836 29.0811 -32.5043 20.5393 8.81386 54.1545 -34.1617 54.2507 0.0894178 TIMING: 2026600 CPU: 6479.52, 0.00317317/step Wall: 6479.52, 0.00317317/step, 2.62086 hours remaining, 232.742188 MB of memory in use. ENERGY: 2026600 3958.9088 20541.5418 14437.9692 244.4650 -203575.1236 2805.9900 0.0000 0.0000 51876.2135 -109710.0352 298.1333 -161586.2487 -109349.2126 298.8537 -93.3246 -69.8222 761946.0315 13.6346 13.7290 PRESSURE: 2026800 -395.892 26.8236 -14.1394 26.8235 -240.282 114.956 -14.1398 114.956 66.0888 GPRESSURE: 2026800 -383.337 20.9747 -29.74 71.6361 -179.132 145.819 -3.6585 121.22 68.1865 PRESSAVG: 2026800 -40.0555 -45.3054 -27.3254 -45.3054 44.3446 -8.04995 -27.3253 -8.05002 1.4028 GPRESSAVG: 2026800 -39.6362 -48.6666 -28.8586 -42.1792 44.433 -8.74477 -25.8696 -10.086 1.27197 TIMING: 2026800 CPU: 6480.15, 0.00314023/step Wall: 6480.15, 0.00314023/step, 2.59348 hours remaining, 232.742188 MB of memory in use. ENERGY: 2026800 3967.3902 20581.9660 14539.4928 246.8967 -203900.7191 2678.9950 0.0000 0.0000 52063.6782 -109822.3002 299.2107 -161885.9784 -109466.7923 297.9817 -190.0285 -164.7608 760615.5303 1.8973 2.0229 PRESSURE: 2027000 -272.615 111.583 -19.3611 111.583 -126.564 -242.692 -19.3603 -242.691 304.577 GPRESSURE: 2027000 -104.909 28.4727 46.2702 128.254 -149.108 -261.182 76.2846 -325.778 229.765 PRESSAVG: 2027000 32.2395 23.7154 -25.3008 23.7153 -61.3364 -29.785 -25.3008 -29.785 2.23981 GPRESSAVG: 2027000 32.8417 23.8644 -24.0589 21.7395 -62.7595 -29.2114 -25.6044 -26.2946 2.15838 TIMING: 2027000 CPU: 6480.78, 0.00317139/step Wall: 6480.78, 0.00317139/step, 2.61904 hours remaining, 232.742188 MB of memory in use. ENERGY: 2027000 3927.9445 20472.7876 14518.3599 237.0863 -203336.9449 2574.3908 0.0000 0.0000 51543.4399 -110062.9359 296.2209 -161606.3758 -109707.9263 298.2057 -31.5339 -8.0840 763312.6582 -8.9523 -9.2531 PRESSURE: 2027200 -32.6171 -48.8319 -95.1158 -48.8323 90.7836 200.964 -95.1149 200.964 80.9346 GPRESSURE: 2027200 1.09228 -63.4514 -64.2408 6.54533 103.083 105.464 -113.153 197.338 118.28 PRESSAVG: 2027200 40.6271 -46.6643 23.6594 -46.6644 -5.19483 -76.8223 23.6594 -76.8222 3.04517 GPRESSAVG: 2027200 39.2889 -48.3021 22.6371 -45.2814 -4.11874 -77.044 22.7079 -79.503 4.29139 TIMING: 2027200 CPU: 6481.42, 0.0031651/step Wall: 6481.42, 0.0031651/step, 2.61367 hours remaining, 232.742188 MB of memory in use. ENERGY: 2027200 3977.4162 20349.8337 14475.7007 226.3916 -203132.4768 2347.4965 0.0000 0.0000 51570.9267 -110184.7114 296.3788 -161755.6380 -109829.1658 297.4200 46.3670 74.1515 762820.6234 12.8258 13.1538 PRESSURE: 2027400 -83.2219 -213.04 30.5115 -213.041 -145.57 10.4276 30.5116 10.4271 -594.444 GPRESSURE: 2027400 -52.5792 -113.186 95.7345 -159.873 -99.5499 -7.02035 -73.3272 -15.4887 -591.242 PRESSAVG: 2027400 -23.2113 -9.89252 -17.8395 -9.89246 -7.30981 -73.36 -17.8395 -73.36 -13.5401 GPRESSAVG: 2027400 -21.6551 -7.51271 -17.2027 -10.0032 -8.54099 -74.5615 -18.6672 -71.1386 -13.7876 TIMING: 2027400 CPU: 6482.05, 0.00315439/step Wall: 6482.05, 0.00315439/step, 2.60465 hours remaining, 232.742188 MB of memory in use. ENERGY: 2027400 3949.4168 20165.3427 14533.6189 246.0731 -203149.4685 2366.6278 0.0000 0.0000 51911.1478 -109977.2413 298.3341 -161888.3891 -109604.5216 297.2461 -274.4123 -247.7904 762979.3871 -14.6871 -14.6612 PRESSURE: 2027600 -451.657 -54.083 117.242 -54.0826 -104.216 -63.1329 117.242 -63.1329 -202.229 GPRESSURE: 2027600 -345.704 -55.7907 133.384 24.0311 -158.059 31.0486 143.161 -152.796 -157.03 PRESSAVG: 2027600 17.2359 -9.46465 -16.005 -9.46468 -4.57942 -31.6689 -16.005 -31.669 -7.56062 GPRESSAVG: 2027600 15.6177 -10.4987 -14.9427 -9.01447 -3.30219 -31.82 -15.6386 -31.8221 -7.7655 TIMING: 2027600 CPU: 6482.68, 0.00315016/step Wall: 6482.68, 0.00315016/step, 2.60098 hours remaining, 232.742188 MB of memory in use. ENERGY: 2027600 3925.3844 20468.8022 14499.4894 244.3179 -203111.8718 2388.1920 0.0000 0.0000 51783.8594 -109801.8264 297.6026 -161585.6858 -109439.9267 297.8464 -252.7010 -220.2645 763159.2285 1.6986 1.5167 PRESSURE: 2027800 -266.876 -36.4633 -267.084 -36.464 -54.0929 -297.724 -267.085 -297.724 146.111 GPRESSURE: 2027800 -230.154 -38.7129 -224.454 -28.0732 -23.8689 -294.624 -147.422 -160.279 149.18 PRESSAVG: 2027800 29.114 -58.73 -15.8669 -58.73 28.144 -39.7684 -15.867 -39.7684 -8.59925 GPRESSAVG: 2027800 29.1892 -59.1453 -15.8442 -59.7571 28.2165 -38.1167 -14.7022 -39.8457 -9.01905 TIMING: 2027800 CPU: 6483.31, 0.00318082/step Wall: 6483.31, 0.00318082/step, 2.62612 hours remaining, 232.742188 MB of memory in use. ENERGY: 2027800 4041.5959 20345.5344 14472.5019 223.9328 -203096.5299 2426.9291 0.0000 0.0000 51910.7302 -109675.3056 298.3317 -161586.0358 -109313.1407 298.3998 -58.2858 -34.9476 763024.1356 16.2196 16.1289 PRESSURE: 2028000 172.854 -311.109 130.981 -311.109 46.2021 82.9628 130.98 82.9633 123.311 GPRESSURE: 2028000 298.648 -151.96 63.8726 -313.356 39.8268 4.35999 160.213 178.579 79.2268 PRESSAVG: 2028000 -39.1469 -29.2023 -19.7168 -29.2023 31.5278 -22.6657 -19.7168 -22.6657 6.66026 GPRESSAVG: 2028000 -38.7908 -25.4528 -21.5382 -28.5005 30.5209 -24.1026 -20.0546 -23.3842 7.34732 TIMING: 2028000 CPU: 6483.95, 0.00316951/step Wall: 6483.95, 0.00316951/step, 2.61661 hours remaining, 232.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2028000 3980.1282 20337.1455 14429.4438 233.7414 -203489.6552 2787.9430 0.0000 0.0000 51927.2549 -109793.9985 298.4266 -161721.2533 -109425.0680 298.3884 114.1225 139.2339 760869.1943 -0.3196 -0.3075 PRESSURE: 2028200 -215.077 -78.1315 204.882 -78.132 -241.573 -204.697 204.882 -204.697 -63.3449 GPRESSURE: 2028200 -99.1481 -153.14 133.699 -197.785 -261.283 -146.05 323.385 -69.2307 -82.5165 PRESSAVG: 2028200 7.62736 -44.2223 -15.4649 -44.2223 -22.301 -53.9873 -15.4649 -53.9874 7.60144 GPRESSAVG: 2028200 6.66201 -47.3995 -14.915 -43.5419 -22.1708 -52.7916 -15.8642 -52.275 8.27283 TIMING: 2028200 CPU: 6484.58, 0.00315981/step Wall: 6484.58, 0.00315981/step, 2.60843 hours remaining, 232.742188 MB of memory in use. ENERGY: 2028200 4087.0104 20480.6973 14473.6531 233.4432 -203704.1896 2640.5282 0.0000 0.0000 51928.5874 -109860.2699 298.4343 -161788.8573 -109503.8143 298.3880 -173.3316 -147.6493 761003.8222 -2.3574 -2.4120 LDB: ============= START OF LOAD BALANCING ============== 6497 LDB: ============== END OF LOAD BALANCING =============== 6497 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6497.01 LDB: ============= START OF LOAD BALANCING ============== 6497.32 LDB: Largest compute 7031 load 0.035419 is 18.1% of average load 0.195458 LDB: Average compute 0.004388 is 2.2% of average load 0.195458 LDB: TIME 6497.33 LOAD: AVG 0.195458 MAX 0.215636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.824 MB LDB: TIME 6497.33 LOAD: AVG 0.195458 MAX 0.215636 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: TIME 6497.33 LOAD: AVG 0.195458 MAX 0.215636 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.824 MB LDB: ============== END OF LOAD BALANCING =============== 6497.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6497.33 PRESSURE: 2028400 173.057 77.5103 59.2121 77.5104 205.564 49.8835 59.2113 49.8832 101.479 GPRESSURE: 2028400 135.078 149.344 69.9597 67.878 259.705 -3.07508 49.2467 58.2321 171.835 PRESSAVG: 2028400 18.3799 -6.84239 3.44427 -6.84243 -3.18581 9.7294 3.44424 9.72952 14.753 GPRESSAVG: 2028400 19.3475 -6.48074 3.44232 -7.3586 -1.55762 7.81823 4.79698 8.97093 12.5704 TIMING: 2028400 CPU: 6485.23, 0.00324202/step Wall: 6485.23, 0.00324202/step, 2.67611 hours remaining, 233.109375 MB of memory in use. ENERGY: 2028400 3993.4889 20445.9186 14474.7540 256.8472 -203906.1616 2754.4123 0.0000 0.0000 51982.1641 -109998.5766 298.7422 -161980.7407 -109624.2663 298.4803 160.0332 188.8728 760178.0010 9.9824 10.1201 PRESSURE: 2028600 177.214 15.2699 102.471 15.2709 -436.161 -42.6219 102.471 -42.6209 449.771 GPRESSURE: 2028600 171.248 12.4368 150.358 35.4526 -376.324 -93.0959 85.4225 -38.9192 478.476 PRESSAVG: 2028600 -4.76568 -8.20918 -13.1106 -8.20918 -41.2532 1.22989 -13.1107 1.22994 28.4954 GPRESSAVG: 2028600 -5.84288 -7.2991 -14.2021 -7.46879 -41.0229 1.79307 -13.8409 -1.96548 29.0819 TIMING: 2028600 CPU: 6485.86, 0.00316958/step Wall: 6485.86, 0.00316958/step, 2.61613 hours remaining, 233.179688 MB of memory in use. ENERGY: 2028600 3958.5714 20565.7303 14390.2199 228.3644 -203304.2499 2528.2649 0.0000 0.0000 51765.0603 -109868.0387 297.4945 -161633.0990 -109512.2425 298.2522 63.6082 91.1333 760783.9987 -5.8412 -5.9279 PRESSURE: 2028800 -106.096 64.8116 2.65031 64.8099 -167.294 119.645 2.65098 119.644 271.928 GPRESSURE: 2028800 -72.4055 129.722 -22.1458 58.6864 -144.538 65.5313 -52.9803 118.429 312.048 PRESSAVG: 2028800 -8.3075 -30.5102 -48.6654 -30.5102 8.30549 -39.3763 -48.6653 -39.3763 -0.812105 GPRESSAVG: 2028800 -6.98814 -32.3326 -49.1008 -30.9332 7.28797 -39.703 -47.523 -37.1356 -0.400366 TIMING: 2028800 CPU: 6486.49, 0.00314113/step Wall: 6486.49, 0.00314113/step, 2.59248 hours remaining, 233.179688 MB of memory in use. ENERGY: 2028800 3981.7380 20319.2573 14455.8265 245.2517 -203658.9282 2671.7051 0.0000 0.0000 52114.9621 -109870.1874 299.5054 -161985.1495 -109505.8620 298.5132 -0.4876 31.7017 760155.3911 -0.2714 -0.0335 PRESSURE: 2029000 -120.97 -57.3575 62.9827 -57.3573 -186.575 -172.86 62.9827 -172.86 82.0811 GPRESSURE: 2029000 -19.6894 -97.3294 -71.6443 18.2263 -198.991 -138.047 13.4289 -167.414 58.3805 PRESSAVG: 2029000 38.0035 65.8273 5.01797 65.8272 -24.2777 -43.7787 5.01798 -43.7787 0.17847 GPRESSAVG: 2029000 37.0767 67.09 7.66417 65.1013 -23.7422 -43.8168 0.87538 -43.3384 1.1424 TIMING: 2029000 CPU: 6487.12, 0.00315617/step Wall: 6487.12, 0.00315617/step, 2.60472 hours remaining, 233.179688 MB of memory in use. ENERGY: 2029000 3993.1293 20404.3211 14502.5706 256.4651 -203751.0987 2566.8055 0.0000 0.0000 52119.8487 -109907.9584 299.5335 -162027.8071 -109543.9388 298.7641 -75.1546 -53.4334 760724.6063 4.6348 4.8256 PRESSURE: 2029200 -9.02567 68.1495 -232.329 68.1501 -162.73 -297.883 -232.33 -297.883 -54.7187 GPRESSURE: 2029200 29.7965 145.098 -167.636 157.954 -95.0517 -261.943 -138.748 -242.705 -71.6193 PRESSAVG: 2029200 -9.52736 45.6227 -60.3989 45.6227 -1.16035 -25.7425 -60.399 -25.7424 -12.4163 GPRESSAVG: 2029200 -7.5565 45.3955 -62.3182 45.6069 -3.60049 -24.4953 -56.1437 -27.3941 -12.4962 TIMING: 2029200 CPU: 6487.75, 0.00313399/step Wall: 6487.75, 0.00313399/step, 2.58623 hours remaining, 233.179688 MB of memory in use. ENERGY: 2029200 4009.2400 20530.5295 14498.8040 260.6142 -203605.6274 2605.0148 0.0000 0.0000 51953.4181 -109748.0067 298.5770 -161701.4248 -109392.5217 298.7489 -75.4915 -45.6249 761451.2493 -7.7013 -7.8844 PRESSURE: 2029400 -49.735 55.4712 -45.935 55.4715 17.3463 93.3533 -45.9349 93.3538 115.774 GPRESSURE: 2029400 10.5973 -68.5546 -132.645 -42.0103 21.27 143.385 79.8937 7.76093 132.771 PRESSAVG: 2029400 36.4338 18.8865 -20.8166 18.8865 -15.3182 41.4159 -20.8167 41.4159 9.60083 GPRESSAVG: 2029400 36.2472 18.0335 -20.8216 17.2415 -14.2684 40.9867 -20.3035 42.4973 8.64573 TIMING: 2029400 CPU: 6488.38, 0.00314713/step Wall: 6488.38, 0.00314713/step, 2.59691 hours remaining, 233.179688 MB of memory in use. ENERGY: 2029400 4030.2485 20470.8099 14427.5490 242.7601 -203353.1478 2393.1355 0.0000 0.0000 51981.8840 -109806.7607 298.7406 -161788.6447 -109443.7221 298.8839 27.7951 54.8793 761750.2268 10.2388 10.2082 PRESSURE: 2029600 66.8245 32.5702 342.134 32.5706 45.5124 -183.087 342.133 -183.087 76.491 GPRESSURE: 2029600 126.168 19.7679 335.834 9.55317 115.826 -150.398 215.321 -75.5924 29.8254 PRESSAVG: 2029600 63.5232 5.65803 36.7931 5.65808 -27.2591 -10.0843 36.7931 -10.0843 6.99341 GPRESSAVG: 2029600 63.18 6.74844 37.8995 6.16112 -26.6097 -10.7042 33.8455 -10.5391 6.86457 TIMING: 2029600 CPU: 6489, 0.00312474/step Wall: 6489, 0.00312474/step, 2.57826 hours remaining, 233.179688 MB of memory in use. ENERGY: 2029600 4062.7198 20397.8532 14476.7939 239.4333 -203131.2189 2433.7882 0.0000 0.0000 51645.1744 -109875.4562 296.8055 -161520.6305 -109522.7575 298.0219 62.9427 90.6065 762696.1258 14.4192 14.4783 PRESSURE: 2029800 576.043 194.497 -155.741 194.497 73.7876 173.293 -155.74 173.293 -276.664 GPRESSURE: 2029800 491.926 157.125 -178.017 142.835 219.97 163.746 -188.842 54.6556 -236.665 PRESSAVG: 2029800 -16.4033 -48.6019 -23.7602 -48.602 -22.4416 44.2164 -23.7602 44.2164 5.14027 GPRESSAVG: 2029800 -17.0294 -48.3319 -24.3532 -47.0144 -22.6998 43.6195 -22.882 43.5103 6.12555 TIMING: 2029800 CPU: 6489.63, 0.00314534/step Wall: 6489.63, 0.00314534/step, 2.59508 hours remaining, 233.179688 MB of memory in use. ENERGY: 2029800 3918.4558 20257.5509 14436.1406 262.9690 -203638.4074 2730.1557 0.0000 0.0000 52142.8395 -109890.2959 299.6656 -162033.1354 -109521.4769 298.5373 124.3890 158.4104 761858.7837 -11.2349 -11.2012 PRESSURE: 2030000 -110.085 148.024 303.615 148.024 177.624 -45.8411 303.615 -45.8419 -44.8806 GPRESSURE: 2030000 -83.9351 67.2079 267.175 159.19 175.625 -113.867 365.32 -176.093 3.42968 PRESSAVG: 2030000 47.3981 4.40229 3.67277 4.40232 2.69738 -20.5329 3.67278 -20.5329 -4.51174 GPRESSAVG: 2030000 47.5829 3.62515 4.17569 5.59947 4.04965 -19.7062 3.5207 -20.8503 -5.90225 TIMING: 2030000 CPU: 6490.26, 0.00313911/step Wall: 6490.26, 0.00313911/step, 2.58977 hours remaining, 233.179688 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: 2030000 4005.8286 20365.3270 14422.0036 242.9803 -203382.3825 2460.1306 0.0000 0.0000 51964.4860 -109921.6263 298.6406 -161886.1123 -109556.0036 298.5028 7.5528 31.7066 761536.3012 15.1946 15.2434 PRESSURE: 2030200 207.862 -35.9957 -70.3371 -35.9951 14.1192 -8.47923 -70.3365 -8.47926 304.58 GPRESSURE: 2030200 410.184 -18.8538 -141.381 -8.46378 -44.6561 -13.3248 -132.521 -122.841 252.328 PRESSAVG: 2030200 11.9457 -20.5915 -14.0649 -20.5915 -16.263 -62.9252 -14.0649 -62.925 2.07966 GPRESSAVG: 2030200 12.9594 -20.8077 -14.0469 -22.1001 -17.2331 -63.0124 -14.437 -62.7315 2.44681 TIMING: 2030200 CPU: 6490.89, 0.00312927/step Wall: 6490.89, 0.00312927/step, 2.58148 hours remaining, 233.179688 MB of memory in use. ENERGY: 2030200 3945.8474 20309.2279 14465.9628 228.9665 -203581.1004 2847.4539 0.0000 0.0000 51891.4331 -109892.2088 298.2208 -161783.6418 -109538.1521 297.8086 175.5204 205.9519 761930.1832 -0.7459 -0.6090 PRESSURE: 2030400 -188.688 -29.2249 145.646 -29.2241 89.3235 75.6922 145.646 75.6938 303.734 GPRESSURE: 2030400 -156.545 141.954 80.1427 -105.885 184.362 24.2002 123.299 127.411 292.041 PRESSAVG: 2030400 29.9998 -0.893727 16.5195 -0.893702 -31.8094 -41.6236 16.5195 -41.6236 -20.9094 GPRESSAVG: 2030400 29.4275 1.01368 15.4363 -1.81861 -31.9517 -41.6356 18.7937 -41.2673 -20.2385 TIMING: 2030400 CPU: 6491.51, 0.00313588/step Wall: 6491.51, 0.00313588/step, 2.58675 hours remaining, 233.179688 MB of memory in use. ENERGY: 2030400 3951.8894 20273.0236 14401.3109 256.0615 -203657.8607 2864.4263 0.0000 0.0000 52041.9362 -109869.2129 299.0857 -161911.1491 -109503.4459 298.0493 68.1232 106.6192 760558.2588 -7.5730 -7.5876 PRESSURE: 2030600 -297.567 72.1704 -56.1417 72.1697 -184.602 -85.6816 -56.1422 -85.6826 202.674 GPRESSURE: 2030600 -318.106 122.023 -53.8553 89.6437 -117.181 -130.361 -100.405 -157.035 242.365 PRESSAVG: 2030600 -30.9484 -35.5328 -26.4005 -35.5327 52.8456 -33.6758 -26.4005 -33.6758 23.8542 GPRESSAVG: 2030600 -30.0584 -35.5747 -25.518 -34.7351 52.8327 -33.1419 -28.4472 -33.8183 23.4786 TIMING: 2030600 CPU: 6492.14, 0.00313608/step Wall: 6492.14, 0.00313608/step, 2.58674 hours remaining, 233.179688 MB of memory in use. ENERGY: 2030600 3916.8574 20450.7305 14442.7126 248.4157 -203388.7381 2643.0527 0.0000 0.0000 51803.4966 -109883.4726 297.7154 -161686.9692 -109517.3723 298.6850 -93.1652 -64.3072 762851.0407 15.2505 15.4176 PRESSURE: 2030800 -23.4374 143.211 158.201 143.211 26.0547 21.0725 158.201 21.0729 -270.407 GPRESSURE: 2030800 -20.92 37.3658 190.293 42.2212 16.1092 38.9497 -35.6502 46.6282 -195.706 PRESSAVG: 2030800 -3.47223 -42.7609 -0.11348 -42.761 -24.3361 -24.9659 -0.113451 -24.9659 -19.4115 GPRESSAVG: 2030800 -4.50829 -43.4934 -0.24097 -43.3477 -24.0745 -28.4876 0.562431 -23.4654 -18.2557 TIMING: 2030800 CPU: 6492.77, 0.00312504/step Wall: 6492.77, 0.00312504/step, 2.57746 hours remaining, 233.179688 MB of memory in use. ENERGY: 2030800 3987.6177 20263.1792 14473.0320 269.1135 -203345.7787 2635.6955 0.0000 0.0000 51992.0131 -109725.1277 298.7988 -161717.1408 -109369.4419 298.6465 -89.2631 -66.8388 760833.2685 -15.7399 -15.6128 PRESSURE: 2031000 184.349 -64.4071 228.087 -64.4078 161.245 -191.739 228.087 -191.74 -1.13848 GPRESSURE: 2031000 225.454 13.8559 167.203 -38.7062 211.458 -217.416 176.325 -110.363 -11.0246 PRESSAVG: 2031000 6.80134 -49.9508 49.0087 -49.9508 -25.9922 -36.5088 49.0088 -36.5089 4.94082 GPRESSAVG: 2031000 7.4716 -50.0057 49.3386 -50.654 -26.3809 -34.2435 49.5454 -36.982 4.44934 TIMING: 2031000 CPU: 6493.39, 0.00311754/step Wall: 6493.39, 0.00311754/step, 2.57111 hours remaining, 233.179688 MB of memory in use. ENERGY: 2031000 3938.0822 20421.4290 14480.4012 235.7922 -203393.4415 2531.5591 0.0000 0.0000 52007.8250 -109778.3528 298.8897 -161786.1778 -109422.7491 298.3958 114.8188 141.9626 759872.0603 -4.7500 -4.8200 PRESSURE: 2031200 -252.787 -275.293 191.297 -275.293 -177.229 -231.566 191.297 -231.566 -187.01 GPRESSURE: 2031200 -168.843 -194.955 281.413 -205.55 -157.239 -233.679 65.6997 -161.624 -194.737 PRESSAVG: 2031200 26.2799 16.7477 17.3198 16.7477 -17.5553 -39.3549 17.3198 -39.3549 1.25352 GPRESSAVG: 2031200 25.325 16.896 14.2975 18.3686 -16.6275 -39.7614 17.1353 -39.0554 0.633403 TIMING: 2031200 CPU: 6494.02, 0.00313101/step Wall: 6494.02, 0.00313101/step, 2.58204 hours remaining, 233.179688 MB of memory in use. ENERGY: 2031200 3968.3038 20355.4786 14510.9245 254.3302 -203170.7932 2402.3051 0.0000 0.0000 51821.9240 -109857.5270 297.8213 -161679.4511 -109493.2241 298.0790 -205.6751 -173.6065 759686.6994 3.3260 3.1103 PRESSURE: 2031400 -157.957 87.6634 -63.5258 87.6625 -266.908 -275.173 -63.5259 -275.173 -515.122 GPRESSURE: 2031400 -108.714 -50.6271 -92.7277 14.6358 -200.493 -295.041 -98.2504 -201.954 -534.247 PRESSAVG: 2031400 56.9601 -47.5351 32.7895 -47.5353 -34.6616 -6.33599 32.7895 -6.33595 20.0884 GPRESSAVG: 2031400 55.9121 -48.2662 35.843 -48.4922 -35.259 -5.89342 31.7061 -6.20161 21.2391 TIMING: 2031400 CPU: 6494.64, 0.00313957/step Wall: 6494.64, 0.00313957/step, 2.58893 hours remaining, 233.179688 MB of memory in use. ENERGY: 2031400 3979.6362 20293.6792 14526.6544 228.8463 -203447.1140 2477.7733 0.0000 0.0000 51947.1666 -109993.3580 298.5411 -161940.5247 -109636.3662 298.0634 -313.3291 -281.1514 760861.4364 14.1290 13.9641 PRESSURE: 2031600 97.1879 -2.33864 136.474 -2.3393 63.9156 19.0542 136.474 19.0545 -351.894 GPRESSURE: 2031600 150.568 4.34916 159.512 -177.367 97.4487 -28.3467 47.8401 -129.767 -343.897 PRESSAVG: 2031600 17.0513 -46.1976 36.4726 -46.1976 -0.556072 -18.2885 36.4725 -18.2885 9.37778 GPRESSAVG: 2031600 19.3106 -44.5934 34.2247 -47.9836 -1.30353 -19.2425 37.7835 -19.035 7.68231 TIMING: 2031600 CPU: 6495.27, 0.003147/step Wall: 6495.27, 0.003147/step, 2.59488 hours remaining, 233.179688 MB of memory in use. ENERGY: 2031600 3989.6512 20255.5048 14465.1694 242.9601 -203707.0871 2822.8175 0.0000 0.0000 51958.5191 -109972.4650 298.6063 -161930.9841 -109610.4822 297.9128 -63.5969 -31.9603 762032.7877 8.6243 8.5631 PRESSURE: 2031800 22.1331 -47.6247 125.966 -47.6246 454.459 -252.019 125.967 -252.02 -286.232 GPRESSURE: 2031800 33.9795 -160.76 190.541 -7.35103 410.351 -285.43 87.3214 -211.377 -165.651 PRESSAVG: 2031800 27.3124 -30.182 58.695 -30.182 -22.8286 14.2072 58.695 14.2072 -16.5939 GPRESSAVG: 2031800 25.5814 -31.4183 60.1698 -29.9128 -23.1451 13.2399 59.5928 16.6864 -15.0627 TIMING: 2031800 CPU: 6495.9, 0.003143/step Wall: 6495.9, 0.003143/step, 2.59141 hours remaining, 233.179688 MB of memory in use. ENERGY: 2031800 3909.2505 20263.1733 14485.7213 263.3463 -203232.8995 2741.3312 0.0000 0.0000 51757.0163 -109813.0606 297.4483 -161570.0769 -109451.9889 298.1882 63.4536 92.8930 762918.6465 -4.0367 -4.2088 PRESSURE: 2032000 12.1058 14.0664 -139.164 14.0666 146.224 166.734 -139.164 166.733 48.6889 GPRESSURE: 2032000 11.2651 19.984 -207.391 67.8564 184.63 147.583 -86.3222 157.956 103.707 PRESSAVG: 2032000 -22.1199 -40.0362 47.1023 -40.0363 -6.96503 18.0271 47.1023 18.0271 10.0205 GPRESSAVG: 2032000 -21.2906 -38.7525 44.3495 -38.242 -6.98705 20.1741 46.2707 15.9441 9.2032 TIMING: 2032000 CPU: 6496.53, 0.00316022/step Wall: 6496.53, 0.00316022/step, 2.60543 hours remaining, 233.179688 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: 2032000 3986.3757 20160.0316 14526.4487 245.6875 -203082.1885 2422.7336 0.0000 0.0000 51860.5670 -109880.3443 298.0434 -161740.9113 -109520.1828 297.7306 69.0062 99.8677 761282.8873 -6.3548 -6.3581 PRESSURE: 2032200 -538.126 133.621 123.003 133.622 -378.307 13.1502 123.002 13.1502 -629.999 GPRESSURE: 2032200 -446.574 78.7532 101.959 68.4514 -405.332 22.2055 200.604 -94.1191 -624.325 PRESSAVG: 2032200 -25.7003 -36.1316 50.153 -36.1315 -0.413301 35.4547 50.1531 35.4547 -15.1059 GPRESSAVG: 2032200 -25.2174 -36.7589 52.4682 -34.9342 0.0761408 35.4289 50.3655 36.9079 -15.8237 TIMING: 2032200 CPU: 6497.16, 0.00314461/step Wall: 6497.16, 0.00314461/step, 2.59238 hours remaining, 233.179688 MB of memory in use. ENERGY: 2032200 4107.9780 20249.0614 14401.3403 243.2897 -203115.3097 2479.6116 0.0000 0.0000 51943.1310 -109690.8977 298.5179 -161634.0287 -109333.7633 298.5194 -515.4773 -492.0768 762236.6549 -13.7398 -13.6550 LDB: ============= START OF LOAD BALANCING ============== 6509.58 LDB: ============== END OF LOAD BALANCING =============== 6509.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6509.58 LDB: ============= START OF LOAD BALANCING ============== 6509.9 LDB: Largest compute 7069 load 0.033065 is 16.9% of average load 0.195417 LDB: Average compute 0.004391 is 2.2% of average load 0.195417 LDB: TIME 6509.9 LOAD: AVG 0.195417 MAX 0.216635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.008 MB LDB: TIME 6509.9 LOAD: AVG 0.195417 MAX 0.216635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.008 MB LDB: TIME 6509.9 LOAD: AVG 0.195417 MAX 0.216635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.008 MB LDB: ============== END OF LOAD BALANCING =============== 6509.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6509.91 PRESSURE: 2032400 546.798 -79.536 151.87 -79.5353 191.275 28.7402 151.869 28.7393 -181.841 GPRESSURE: 2032400 519.378 -122.173 121.883 -90.5724 247.757 56.5953 175.71 -77.5832 -132.781 PRESSAVG: 2032400 21.6209 -63.7603 -12.6561 -63.7603 -3.69482 7.88808 -12.656 7.88805 -1.53265 GPRESSAVG: 2032400 21.3744 -64.5919 -13.7802 -63.6409 -4.48405 5.91784 -11.0821 7.14298 -1.32056 TIMING: 2032400 CPU: 6497.81, 0.00321469/step Wall: 6497.81, 0.00321469/step, 2.64998 hours remaining, 233.031250 MB of memory in use. ENERGY: 2032400 3978.4793 20366.6155 14507.6146 241.4766 -203782.4450 2950.7560 0.0000 0.0000 52122.9016 -109614.6015 299.5510 -161737.5031 -109244.0078 299.1268 185.4109 211.4513 760896.3530 5.4645 5.1899 PRESSURE: 2032600 123.74 -157.887 86.6014 -157.888 -6.02128 83.5934 86.6022 83.5944 -101.015 GPRESSURE: 2032600 167.787 -160.756 179.897 -237.879 4.98198 31.7381 51.6781 148.019 -76.5352 PRESSAVG: 2032600 -22.4967 6.70553 48.3139 6.70556 41.0972 30.7722 48.3138 30.7721 9.15673 GPRESSAVG: 2032600 -22.1427 7.4315 49.2786 6.26109 40.3524 32.9377 46.4772 30.8057 9.75127 TIMING: 2032600 CPU: 6498.43, 0.00314873/step Wall: 6498.43, 0.00314873/step, 2.59543 hours remaining, 233.031250 MB of memory in use. ENERGY: 2032600 3905.2312 20508.2536 14407.6975 256.8567 -203233.0789 2383.1147 0.0000 0.0000 52081.6155 -109690.3097 299.3138 -161771.9252 -109332.6010 298.6739 5.5677 32.0779 762862.2599 9.2524 9.3203 PRESSURE: 2032800 -144.422 87.6974 93.6076 87.6975 -339.864 -76.8563 93.6067 -76.8564 264.993 GPRESSURE: 2032800 -182.585 93.0252 227.804 55.3467 -243.717 -5.43678 65.6148 -158.479 290.062 PRESSAVG: 2032800 59.1252 -51.657 -11.751 -51.657 -54.0186 15.5758 -11.7511 15.5757 19.3191 GPRESSAVG: 2032800 58.3965 -52.5933 -11.3724 -49.5989 -54.0219 13.9594 -12.5133 15.7868 19.814 TIMING: 2032800 CPU: 6499.06, 0.00312495/step Wall: 6499.06, 0.00312495/step, 2.57565 hours remaining, 233.031250 MB of memory in use. ENERGY: 2032800 3882.6167 20487.1314 14420.4914 227.5625 -202975.1957 2379.7812 0.0000 0.0000 51930.3962 -109647.2163 298.4447 -161577.6126 -109298.2141 298.8607 -73.0976 -45.4138 760621.4090 8.1419 8.0629 PRESSURE: 2033000 285.313 -36.7807 24.434 -36.7808 -154.806 -27.4799 24.434 -27.4802 141.879 GPRESSURE: 2033000 330.422 -17.8795 -2.17659 -71.0357 -76.0782 -10.4732 -49.8552 -110.639 107.321 PRESSAVG: 2033000 37.5825 -26.9103 1.68834 -26.9103 -57.2896 -45.4445 1.68835 -45.4446 30.9105 GPRESSAVG: 2033000 37.9977 -26.7041 1.88529 -28.4945 -57.07 -44.2911 3.79213 -44.5357 30.5172 TIMING: 2033000 CPU: 6499.69, 0.00314616/step Wall: 6499.69, 0.00314616/step, 2.59296 hours remaining, 233.031250 MB of memory in use. ENERGY: 2033000 3909.5020 20221.2722 14472.5242 256.1092 -203346.4875 2528.8371 0.0000 0.0000 52201.4246 -109756.8182 300.0023 -161958.2428 -109384.2927 298.7831 90.7953 120.5551 760761.5660 3.7345 3.8150 PRESSURE: 2033200 102.344 -195.412 188.85 -195.412 -50.3646 -45.0392 188.85 -45.0397 284.992 GPRESSURE: 2033200 95.286 -188.955 204.936 -233.126 -68.5257 16.9727 171.756 -159.545 384.158 PRESSAVG: 2033200 0.798972 -57.5148 -21.8259 -57.5148 -4.26822 -19.9894 -21.8258 -19.9895 -26.8521 GPRESSAVG: 2033200 1.19292 -55.7239 -21.1685 -57.3745 -4.7416 -18.4101 -26.5463 -24.2506 -26.4049 TIMING: 2033200 CPU: 6500.32, 0.0031465/step Wall: 6500.32, 0.0031465/step, 2.59307 hours remaining, 233.031250 MB of memory in use. ENERGY: 2033200 3985.1405 20555.8308 14448.0158 242.1168 -203893.1125 2869.8533 0.0000 0.0000 52198.1048 -109594.0504 299.9832 -161792.1551 -109236.0141 298.9408 112.3239 136.9727 760580.3541 -10.1071 -9.9845 PRESSURE: 2033400 97.3024 93.5689 -57.8114 93.569 -409.162 4.11578 -57.8111 4.11485 114.178 GPRESSURE: 2033400 48.8482 96.4959 19.6007 189.708 -290.759 71.8 -158.088 -66.5521 129.585 PRESSAVG: 2033400 8.44309 6.94859 -29.6815 6.94861 -11.6823 21.7241 -29.6815 21.724 -15.4891 GPRESSAVG: 2033400 7.78127 5.71885 -29.7554 8.19854 -11.1576 19.6742 -27.601 22.3261 -15.3744 TIMING: 2033400 CPU: 6500.95, 0.00313838/step Wall: 6500.95, 0.00313838/step, 2.5862 hours remaining, 233.031250 MB of memory in use. ENERGY: 2033400 4045.8351 20497.9902 14506.7140 247.9298 -203437.0474 2730.1448 0.0000 0.0000 52059.3896 -109349.0438 299.1860 -161408.4334 -108992.2285 299.1482 -65.8938 -37.4421 761196.5517 -6.2428 -6.2503 PRESSURE: 2033600 -165.382 -23.7923 -96.6238 -23.7926 -78.2469 -108.411 -96.6236 -108.41 -261.905 GPRESSURE: 2033600 -126.974 -11.3933 -81.9886 39.4099 -63.7745 12.2849 19.0821 -146.618 -214.82 PRESSAVG: 2033600 20.8504 -28.7408 28.6773 -28.7408 -35.3679 -45.5485 28.6773 -45.5484 7.94914 GPRESSAVG: 2033600 20.3636 -29.3481 28.0128 -30.5285 -33.9758 -45.5445 30.146 -41.7798 6.69951 TIMING: 2033600 CPU: 6501.58, 0.00315479/step Wall: 6501.58, 0.00315479/step, 2.59955 hours remaining, 233.031250 MB of memory in use. ENERGY: 2033600 3944.3513 20484.6150 14564.2487 232.7418 -203514.0186 2584.2829 0.0000 0.0000 52264.2179 -109439.5610 300.3632 -161703.7789 -109069.1133 299.0798 -168.5112 -135.1896 760631.1229 -2.1894 -2.3042 PRESSURE: 2033800 -22.5009 -98.8775 -110.281 -98.8764 -278.554 -179.712 -110.281 -179.714 46.9904 GPRESSURE: 2033800 47.5695 -162.32 -76.6043 -41.2972 -237.929 -182.606 -116.405 -221.551 12.6324 PRESSAVG: 2033800 4.43386 -32.6227 -27.5285 -32.6227 -67.7964 -69.8424 -27.5285 -69.8424 -43.3539 GPRESSAVG: 2033800 5.60084 -32.5872 -28.354 -31.2515 -70.4647 -70.6832 -25.868 -71.2866 -42.1379 TIMING: 2033800 CPU: 6502.2, 0.00313745/step Wall: 6502.2, 0.00313745/step, 2.58509 hours remaining, 233.031250 MB of memory in use. ENERGY: 2033800 3977.2136 20456.8785 14502.1540 255.6170 -203028.2483 2334.0750 0.0000 0.0000 51917.9606 -109584.3496 298.3732 -161502.3102 -109220.1226 298.9320 -84.6882 -59.2425 762116.5114 -35.5722 -35.6673 PRESSURE: 2034000 -186.405 -26.851 245.996 -26.8503 211.849 -232.664 245.996 -232.664 -49.4548 GPRESSURE: 2034000 -117.817 -27.7875 146.566 132.386 176.699 -49.6014 250.254 -264.401 -10.7033 PRESSAVG: 2034000 -20.9291 7.85168 42.3845 7.8517 -24.0851 -43.4904 42.3845 -43.4904 7.79572 GPRESSAVG: 2034000 -21.3055 8.47453 41.952 7.08174 -23.0855 -44.5251 41.0772 -44.0401 6.82056 TIMING: 2034000 CPU: 6502.83, 0.00313356/step Wall: 6502.83, 0.00313356/step, 2.5817 hours remaining, 233.031250 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: 2034000 3996.8928 20385.5037 14499.4091 273.7163 -202972.0756 2503.3825 0.0000 0.0000 51883.2952 -109429.8760 298.1740 -161313.1713 -109072.8695 298.7109 -8.0037 16.0595 762358.9315 -12.4062 -12.5235 PRESSURE: 2034200 -233.23 -18.5042 64.6871 -18.5031 80.2684 231.816 64.6878 231.816 119.416 GPRESSURE: 2034200 -137.69 41.8457 50.539 21.7291 82.9345 257.431 41.731 133.313 111.929 PRESSAVG: 2034200 9.49221 13.7883 -19.2665 13.7883 -2.24527 -73.9026 -19.2665 -73.9025 3.36015 GPRESSAVG: 2034200 8.66714 14.092 -17.1095 12.8166 -1.38215 -71.296 -20.3099 -76.1467 4.11271 TIMING: 2034200 CPU: 6503.46, 0.00313183/step Wall: 6503.46, 0.00313183/step, 2.5801 hours remaining, 233.031250 MB of memory in use. ENERGY: 2034200 3982.3976 20379.2802 14526.5686 247.0915 -203224.7087 2449.6137 0.0000 0.0000 52019.6403 -109620.1167 298.9576 -161639.7570 -109255.0564 298.8744 -11.1817 19.0576 760719.0512 3.5357 3.7992 PRESSURE: 2034400 147.831 96.6446 203.3 96.6452 -336.827 -98.8963 203.3 -98.8962 92.5461 GPRESSURE: 2034400 114.658 62.1105 253.533 91.7212 -237.505 -130.563 125.896 -23.1176 102.637 PRESSAVG: 2034400 35.7034 18.5993 40.3094 18.5994 -38.6652 -5.4644 40.3094 -5.46442 -22.2569 GPRESSAVG: 2034400 36.3896 18.0972 39.8576 19.7491 -38.2804 -7.11301 41.4459 -4.94911 -22.859 TIMING: 2034400 CPU: 6504.09, 0.00314066/step Wall: 6504.09, 0.00314066/step, 2.58721 hours remaining, 233.031250 MB of memory in use. ENERGY: 2034400 3924.2379 20545.2479 14541.1810 237.7349 -203432.6317 2708.2411 0.0000 0.0000 51963.5889 -109512.4000 298.6355 -161475.9889 -109143.0885 298.7054 -32.1502 -6.7366 761653.7640 -8.4062 -8.2499 PRESSURE: 2034600 12.9535 114.887 -114.049 114.887 -84.3891 107.866 -114.049 107.865 92.0586 GPRESSURE: 2034600 5.10904 95.8617 -83.1814 107.199 2.33382 48.3174 31.9699 62.7269 86.821 PRESSAVG: 2034600 16.8435 27.5678 4.9855 27.5678 -38.6858 34.1348 4.98549 34.1348 23.1609 GPRESSAVG: 2034600 17.8443 28.1816 3.18603 27.7031 -39.4312 35.1715 5.00123 35.6637 22.786 TIMING: 2034600 CPU: 6504.71, 0.00314241/step Wall: 6504.71, 0.00314241/step, 2.58848 hours remaining, 233.031250 MB of memory in use. ENERGY: 2034600 3917.9444 20486.2370 14555.6652 234.4118 -203640.1933 2740.0392 0.0000 0.0000 52191.1141 -109514.7816 299.9431 -161705.8957 -109154.9068 299.1054 6.8743 31.4213 758988.5168 0.4395 0.3997 PRESSURE: 2034800 -323.016 -98.2509 100.083 -98.251 -264.266 -112.729 100.084 -112.729 -301.39 GPRESSURE: 2034800 -261.099 -87.7543 105.053 -62.9692 -330.062 -94.0067 17.0408 -49.7577 -195.506 PRESSAVG: 2034800 -18.8714 -44.4953 9.37178 -44.4953 32.6663 -5.66939 9.37176 -5.66941 -4.14014 GPRESSAVG: 2034800 -20.3268 -44.5765 11.4626 -44.7411 32.2818 -6.18353 8.52856 -6.91885 -2.56075 TIMING: 2034800 CPU: 6505.34, 0.00313825/step Wall: 6505.34, 0.00313825/step, 2.58487 hours remaining, 233.031250 MB of memory in use. ENERGY: 2034800 3926.0319 20426.3337 14616.4726 256.8273 -203452.6327 2657.5077 0.0000 0.0000 52041.2805 -109528.1791 299.0820 -161569.4596 -109166.7893 299.1557 -296.2240 -262.2223 761546.9918 3.2183 3.1314 PRESSURE: 2035000 -521.484 -83.2525 -220.751 -83.2535 -323.181 -112.537 -220.751 -112.536 -248.801 GPRESSURE: 2035000 -376.204 -0.40067 -183.079 -118.951 -305.86 -124.5 -188.571 -187.656 -339.807 PRESSAVG: 2035000 -10.3949 22.6768 44.3082 22.6769 -5.90667 -59.0086 44.3082 -59.0086 4.16981 GPRESSAVG: 2035000 -9.95887 23.3587 43.0414 21.6176 -6.50639 -58.6483 45.9958 -60.224 4.37436 TIMING: 2035000 CPU: 6505.97, 0.00314155/step Wall: 6505.97, 0.00314156/step, 2.58742 hours remaining, 233.031250 MB of memory in use. ENERGY: 2035000 3969.3838 20481.2051 14527.4648 257.8943 -202942.1303 2120.0767 0.0000 0.0000 52107.0168 -109479.0887 299.4597 -161586.1055 -109124.5915 299.3410 -364.4883 -340.6237 761752.5592 -4.0439 -4.0303 PRESSURE: 2035200 -46.9175 -1.78783 -120.816 -1.78763 23.2197 356.4 -120.815 356.401 -234.953 GPRESSURE: 2035200 -37.7459 79.5493 -102.885 -37.041 55.5899 300.465 -103.659 376.805 -195.355 PRESSAVG: 2035200 -31.3947 0.413347 13.4152 0.413376 9.83904 45.248 13.4151 45.2479 4.4451 GPRESSAVG: 2035200 -31.3359 1.03929 14.2207 0.47181 10.5911 44.3986 12.3052 45.7806 2.98304 TIMING: 2035200 CPU: 6506.6, 0.00313967/step Wall: 6506.6, 0.00313967/step, 2.58569 hours remaining, 233.031250 MB of memory in use. ENERGY: 2035200 4045.8954 20597.4839 14527.8188 238.4918 -203506.0825 2627.0463 0.0000 0.0000 52082.1344 -109387.2119 299.3167 -161469.3463 -109027.2561 299.2853 -86.2170 -59.1704 761802.4640 -5.7035 -5.9206 PRESSURE: 2035400 -111.361 256.11 -212.231 256.111 35.5351 100.347 -212.231 100.348 -63.3883 GPRESSURE: 2035400 6.90395 240.848 -197.963 134.364 -5.21732 85.3892 -249.934 125.898 -74.5028 PRESSAVG: 2035400 20.8344 5.59117 -0.687424 5.5911 -2.59954 9.04839 -0.687382 9.04832 13.8129 GPRESSAVG: 2035400 20.3245 3.24508 -0.727694 3.8842 -2.83513 9.55093 -2.02461 10.1328 14.5813 TIMING: 2035400 CPU: 6507.22, 0.00313081/step Wall: 6507.22, 0.00313081/step, 2.57822 hours remaining, 233.031250 MB of memory in use. ENERGY: 2035400 3968.1177 20464.5001 14472.9218 249.6734 -203233.7974 2635.3618 0.0000 0.0000 52257.6596 -109185.5630 300.3255 -161443.2226 -108818.7055 299.7335 -46.4047 -24.2721 761207.9151 10.6826 10.6902 PRESSURE: 2035600 -24.6354 61.6602 111.76 61.6601 -226.407 -138.872 111.759 -138.871 9.9756 GPRESSURE: 2035600 -41.7331 74.602 3.3938 55.2558 -198.246 -63.8516 110.522 -39.6224 82.2104 PRESSAVG: 2035600 26.464 -25.1789 6.29755 -25.1789 -5.04486 -19.224 6.29761 -19.224 23.3463 GPRESSAVG: 2035600 26.8064 -22.5518 7.16399 -24.6324 -4.84752 -19.5471 6.16788 -18.9318 22.3975 TIMING: 2035600 CPU: 6507.85, 0.00314802/step Wall: 6507.85, 0.00314802/step, 2.59222 hours remaining, 233.031250 MB of memory in use. ENERGY: 2035600 3911.6333 20640.8964 14563.6972 234.1613 -203355.0822 2595.8890 0.0000 0.0000 52197.6426 -109211.1624 299.9806 -161408.8049 -108854.7504 299.8410 -80.3555 -52.5897 761515.0153 14.9218 14.7855 PRESSURE: 2035800 72.9453 155.427 -96.3896 155.428 3.69605 87.5117 -96.3899 87.512 -259.07 GPRESSURE: 2035800 19.1259 40.9465 -66.5179 50.3192 141.418 -0.563806 93.7698 76.6954 -245.513 PRESSAVG: 2035800 26.218 -15.2859 11.6403 -15.2859 -40.1517 -56.7576 11.6403 -56.7576 4.68066 GPRESSAVG: 2035800 24.5096 -17.1594 11.2647 -15.0221 -38.456 -57.1716 14.0721 -56.4478 4.45423 TIMING: 2035800 CPU: 6508.48, 0.00313932/step Wall: 6508.48, 0.00313932/step, 2.58488 hours remaining, 233.031250 MB of memory in use. ENERGY: 2035800 4041.0760 20475.0587 14453.2250 237.7323 -203098.0750 2837.2857 0.0000 0.0000 52209.6914 -108844.0058 300.0498 -161053.6972 -108477.7078 300.4235 -60.8096 -28.3231 762455.0951 -3.0844 -3.1641 PRESSURE: 2036000 -345.694 89.6772 -73.843 89.6773 87.0345 307.852 -73.844 307.853 101.631 GPRESSURE: 2036000 -350.392 -37.3485 56.1025 112.89 177.239 264.923 -133.728 314.042 79.2025 PRESSAVG: 2036000 35.822 -5.69102 -4.69111 -5.69105 -19.1394 31.0469 -4.69114 31.0469 2.81246 GPRESSAVG: 2036000 36.1292 -7.82305 -5.66814 -3.31374 -19.9095 31.44 -6.21095 30.6055 3.4734 TIMING: 2036000 CPU: 6509.11, 0.00314428/step Wall: 6509.11, 0.00314428/step, 2.58879 hours remaining, 233.031250 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: 2036000 3947.3818 20419.1333 14512.2613 241.9588 -203148.5610 2869.6227 0.0000 0.0000 52091.2227 -109066.9805 299.3690 -161158.2032 -108701.6227 300.0518 -52.3427 -31.3169 763561.7705 6.4984 6.5644 PRESSURE: 2036200 139.78 -63.1198 343.248 -63.1205 64.9041 52.9068 343.248 52.9077 -71.274 GPRESSURE: 2036200 153.2 16.6482 393.021 -11.4688 69.8695 105.143 362.677 132.105 -9.26785 PRESSAVG: 2036200 12.7668 19.7116 53.2559 19.7117 -1.68085 -10.157 53.256 -10.157 6.11509 GPRESSAVG: 2036200 13.2628 22.9805 53.7946 18.5391 -2.39636 -10.4922 52.1097 -11.6881 6.79028 TIMING: 2036200 CPU: 6509.74, 0.0031344/step Wall: 6509.74, 0.0031344/step, 2.58048 hours remaining, 233.031250 MB of memory in use. ENERGY: 2036200 3946.4802 20640.6376 14585.7429 262.9729 -203283.2599 2710.9524 0.0000 0.0000 51931.8728 -109204.6012 298.4532 -161136.4739 -108841.0706 299.6565 44.4699 71.2673 762413.3658 5.7337 5.8856 LDB: ============= START OF LOAD BALANCING ============== 6522.16 LDB: ============== END OF LOAD BALANCING =============== 6522.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6522.16 LDB: ============= START OF LOAD BALANCING ============== 6522.48 LDB: Largest compute 7033 load 0.034073 is 17.4% of average load 0.195493 LDB: Average compute 0.004399 is 2.3% of average load 0.195493 LDB: TIME 6522.48 LOAD: AVG 0.195493 MAX 0.217685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.438 MB LDB: TIME 6522.48 LOAD: AVG 0.195493 MAX 0.217685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: TIME 6522.48 LOAD: AVG 0.195493 MAX 0.217685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.645 MB LDB: ============== END OF LOAD BALANCING =============== 6522.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6522.49 PRESSURE: 2036400 -92.1316 55.1023 -67.1763 55.1022 -527.412 71.0871 -67.1758 71.0867 8.15465 GPRESSURE: 2036400 -57.9559 31.7259 -29.1599 -44.7957 -449.79 -66.1623 -5.62952 39.4432 -29.6907 PRESSAVG: 2036400 -14.7899 -46.0101 31.6912 -46.01 38.75 -20.8193 31.6912 -20.8193 -6.04468 GPRESSAVG: 2036400 -14.0348 -44.5762 30.8241 -45.337 37.8149 -19.603 34.0801 -19.1119 -5.81626 TIMING: 2036400 CPU: 6510.38, 0.00321789/step Wall: 6510.38, 0.00321789/step, 2.64904 hours remaining, 232.082031 MB of memory in use. ENERGY: 2036400 3935.8008 20539.0099 14533.0376 227.8142 -202920.8773 2238.1384 0.0000 0.0000 52043.7294 -109403.3470 299.0960 -161447.0764 -109034.2677 299.4012 -203.7963 -179.1455 762356.2754 5.9718 5.9879 PRESSURE: 2036600 -62.5743 -46.4905 165.39 -46.492 38.555 51.7961 165.389 51.7959 268.971 GPRESSURE: 2036600 -1.79701 -76.2892 233.819 -16.0469 21.8503 8.64537 137.585 98.398 315.678 PRESSAVG: 2036600 -41.9014 -43.2178 65.3779 -43.2178 30.8224 -0.0241599 65.3779 -0.0241669 21.5065 GPRESSAVG: 2036600 -41.6212 -46.9023 65.2607 -42.8015 31.2378 -0.814621 65.2792 -0.274693 20.3658 TIMING: 2036600 CPU: 6511.01, 0.00315187/step Wall: 6511.01, 0.00315187/step, 2.59452 hours remaining, 232.082031 MB of memory in use. ENERGY: 2036600 3959.5200 20543.6421 14542.8765 254.5876 -203252.5657 2414.3669 0.0000 0.0000 52153.0743 -109384.4982 299.7244 -161537.5725 -109022.6179 299.4380 81.6506 111.9104 761003.6194 3.4758 3.3275 PRESSURE: 2036800 -216.4 -108.212 -119.116 -108.212 -38.6488 -116.681 -119.115 -116.681 -221.774 GPRESSURE: 2036800 -171.879 -86.6458 24.9913 -117.193 -28.4116 24.4658 -115.556 -2.94089 -173.044 PRESSAVG: 2036800 -19.6185 -16.0203 -27.6113 -16.0203 -3.59639 11.5166 -27.6113 11.5165 -4.89567 GPRESSAVG: 2036800 -19.6991 -14.4332 -26.0163 -18.1844 -3.344 11.9616 -24.5064 10.7378 -5.18246 TIMING: 2036800 CPU: 6511.64, 0.00314163/step Wall: 6511.64, 0.00314163/step, 2.58591 hours remaining, 232.082031 MB of memory in use. ENERGY: 2036800 4018.1481 20248.4228 14537.9689 234.7617 -203384.5451 2625.4846 0.0000 0.0000 52346.6899 -109373.0690 300.8371 -161719.7589 -109012.7787 299.5153 -158.9410 -124.4451 761010.5755 -9.3702 -9.4085 PRESSURE: 2037000 70.9535 -78.4406 -133.993 -78.4411 -132.442 106.745 -133.993 106.744 -83.1053 GPRESSURE: 2037000 57.7199 10.8752 -120.973 -98.6945 -56.2467 84.9788 -209.775 -85.0477 -80.9846 PRESSAVG: 2037000 34.5293 17.0489 -30.9148 17.0489 -34.4478 -8.6526 -30.9148 -8.6527 11.072 GPRESSAVG: 2037000 35.1419 15.3621 -34.687 17.1494 -34.8197 -9.12973 -33.0822 -9.3501 10.4231 TIMING: 2037000 CPU: 6512.27, 0.00315837/step Wall: 6512.27, 0.00315837/step, 2.59951 hours remaining, 232.082031 MB of memory in use. ENERGY: 2037000 3897.0031 20292.9556 14600.5202 231.8829 -202957.8681 2433.6090 0.0000 0.0000 52013.4256 -109488.4717 298.9219 -161501.8973 -109117.5256 299.6044 -48.1979 -26.5038 761504.3962 3.7178 3.5818 PRESSURE: 2037200 151.527 -77.8697 225.351 -77.8698 45.5684 5.76424 225.35 5.76517 127.949 GPRESSURE: 2037200 244.698 -118.458 205.83 -203.004 51.8741 79.049 236.575 38.6848 100.748 PRESSAVG: 2037200 -3.67059 -34.252 5.71532 -34.2521 -22.7942 59.7467 5.71526 59.7467 -4.29129 GPRESSAVG: 2037200 -2.97529 -31.2079 7.1495 -34.7743 -23.0853 59.87 5.13798 61.1544 -5.07132 TIMING: 2037200 CPU: 6512.9, 0.00316171/step Wall: 6512.9, 0.00316171/step, 2.60209 hours remaining, 232.082031 MB of memory in use. ENERGY: 2037200 3960.1629 20474.3669 14534.3753 240.5623 -203306.4352 2561.5275 0.0000 0.0000 52043.1188 -109492.3215 299.0925 -161535.4404 -109135.1740 299.7333 108.3481 132.4399 761374.5747 -10.2520 -10.3773 PRESSURE: 2037400 -321.875 -99.6513 -34.4391 -99.6517 -150.835 68.4609 -34.4389 68.4606 -347.659 GPRESSURE: 2037400 -266.911 -99.5521 -7.99662 -77.696 -169.466 82.8321 -64.0864 -49.6926 -299.091 PRESSAVG: 2037400 41.3813 -43.1094 4.5266 -43.1094 -45.4734 18.3766 4.52663 18.3765 -39.7018 GPRESSAVG: 2037400 40.6582 -45.3102 5.9295 -41.3098 -45.443 19.398 5.51565 17.2663 -38.577 TIMING: 2037400 CPU: 6513.54, 0.00316093/step Wall: 6513.54, 0.00316093/step, 2.60127 hours remaining, 232.082031 MB of memory in use. ENERGY: 2037400 3974.2299 20589.0220 14489.7040 247.4016 -202987.6635 2341.8997 0.0000 0.0000 51922.8440 -109422.5622 298.4013 -161345.4062 -109066.8129 299.6033 -273.4564 -245.1556 760619.1325 -14.5980 -14.4539 PRESSURE: 2037600 -239.125 -58.1039 -42.8534 -58.1037 -393.185 -16.448 -42.8531 -16.4488 41.195 GPRESSURE: 2037600 -209.827 82.2463 -37.4533 -96.3385 -303.542 -87.4365 -67.842 15.298 8.34765 PRESSAVG: 2037600 28.9808 -4.47568 -11.562 -4.47562 -74.9436 51.5798 -11.562 51.5798 -12.1955 GPRESSAVG: 2037600 28.2481 -3.32198 -12.3179 -4.9814 -74.6907 50.7743 -11.6822 50.7676 -12.0532 TIMING: 2037600 CPU: 6514.17, 0.00315522/step Wall: 6514.17, 0.00315522/step, 2.5964 hours remaining, 232.082031 MB of memory in use. ENERGY: 2037600 3949.5628 20407.9992 14465.6909 260.6979 -203177.4805 2407.4280 0.0000 0.0000 52246.2495 -109439.8522 300.2599 -161686.1018 -109081.6468 300.0763 -197.0385 -168.3405 762145.8616 -19.3861 -19.4986 PRESSURE: 2037800 411.557 -92.1106 -213.077 -92.1104 634.559 -38.994 -213.077 -38.9936 476.544 GPRESSURE: 2037800 508.609 -168.794 -142.475 -14.9741 619.798 -24.5359 -168.559 -124.042 488.883 PRESSAVG: 2037800 13.0938 -2.22138 1.16322 -2.22136 -17.7295 9.00961 1.16319 9.00962 10.6115 GPRESSAVG: 2037800 12.9411 -3.26218 1.90657 -1.7606 -17.3419 11.0484 -0.407555 8.71423 10.3017 TIMING: 2037800 CPU: 6514.8, 0.00315288/step Wall: 6514.8, 0.00315288/step, 2.59429 hours remaining, 232.082031 MB of memory in use. ENERGY: 2037800 3960.9003 20299.3954 14561.4166 247.9791 -203670.8543 2679.7457 0.0000 0.0000 52194.7266 -109726.6906 299.9638 -161921.4172 -109355.6986 299.5018 507.5534 539.0969 758152.1810 1.9919 1.9670 PRESSURE: 2038000 120.177 93.0647 149.638 93.0645 -90.088 151.864 149.638 151.864 -381.801 GPRESSURE: 2038000 172.316 121.199 146.321 116.53 -81.9908 173.724 153.346 151.184 -351.464 PRESSAVG: 2038000 8.5706 -54.0833 -27.51 -54.0833 -37.8511 71.0626 -27.51 71.0626 17.9609 GPRESSAVG: 2038000 8.46373 -53.8641 -27.1281 -54.9682 -37.9405 68.3411 -26.3311 73.9178 17.9962 TIMING: 2038000 CPU: 6515.43, 0.00315129/step Wall: 6515.43, 0.00315129/step, 2.59281 hours remaining, 232.082031 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: 2038000 4044.2373 20431.8705 14524.1056 250.7985 -202915.6488 2176.1096 0.0000 0.0000 51838.5582 -109649.9690 297.9169 -161488.5272 -109295.4599 298.7349 -117.2371 -87.0461 760429.2736 -3.7732 -3.8269 PRESSURE: 2038200 150.034 -77.0958 70.3032 -77.095 123.876 130.002 70.3026 130.003 -144.688 GPRESSURE: 2038200 132.835 -99.8454 101.268 -67.9594 246.735 153.644 83.2221 -12.8303 -136.278 PRESSAVG: 2038200 15.2447 1.92771 11.0681 1.92768 -8.20467 5.57449 11.0682 5.57448 9.7219 GPRESSAVG: 2038200 15.8277 0.971562 11.1146 1.69549 -7.4788 5.3532 11.2861 6.89598 8.67461 TIMING: 2038200 CPU: 6516.06, 0.00314493/step Wall: 6516.06, 0.00314493/step, 2.5874 hours remaining, 232.082031 MB of memory in use. ENERGY: 2038200 3938.9786 20524.0335 14484.6728 231.2407 -203618.7848 2527.6898 0.0000 0.0000 52181.9606 -109730.2089 299.8904 -161912.1695 -109372.1017 298.7074 43.0743 81.0973 759987.3658 5.5873 5.6745 PRESSURE: 2038400 -199.414 0.551092 -8.96105 0.551329 99.3255 202.706 -8.96114 202.707 -112.384 GPRESSURE: 2038400 -115.176 14.8578 4.15538 34.5192 157.098 183.247 -11.9577 324.485 -178.088 PRESSAVG: 2038400 2.90382 -61.5406 -37.1729 -61.5407 -23.867 63.3018 -37.173 63.3018 -29.8105 GPRESSAVG: 2038400 2.97644 -61.1081 -37.8842 -63.1066 -24.2378 63.166 -38.6023 64.0242 -29.3419 TIMING: 2038400 CPU: 6516.69, 0.00316887/step Wall: 6516.69, 0.00316887/step, 2.60693 hours remaining, 232.082031 MB of memory in use. ENERGY: 2038400 3961.5747 20605.4187 14453.6425 233.7398 -203309.5003 2352.6848 0.0000 0.0000 52016.5905 -109685.8493 298.9401 -161702.4398 -109321.7532 298.5376 -70.8242 -45.3885 761503.9982 -16.9246 -16.8678 PRESSURE: 2038600 -78.539 -49.8497 57.4861 -49.8492 -155.826 -130.383 57.4853 -130.383 -256.567 GPRESSURE: 2038600 -34.6889 -98.5124 62.7271 35.6212 -151.969 -43.6908 129.945 -165.953 -207.222 PRESSAVG: 2038600 53.5987 -53.0458 -7.85476 -53.0459 -39.514 27.3767 -7.85477 27.3768 -34.5223 GPRESSAVG: 2038600 51.7445 -51.0605 -7.30751 -50.0865 -39.8617 28.685 -7.62166 25.0986 -32.8552 TIMING: 2038600 CPU: 6517.32, 0.00316142/step Wall: 6517.32, 0.00316142/step, 2.60062 hours remaining, 232.082031 MB of memory in use. ENERGY: 2038600 3930.4382 20507.2058 14484.8666 257.4447 -203095.6356 2464.4279 0.0000 0.0000 51756.3051 -109694.9472 297.4442 -161451.2523 -109333.5469 298.3235 -163.6438 -131.2934 761870.4353 -6.8125 -6.9908 PRESSURE: 2038800 -223.569 -157.646 1.1958 -157.645 -86.9058 159.49 1.19639 159.491 131.785 GPRESSURE: 2038800 -287.24 -194.083 22.53 -154.295 52.3231 103.935 56.8736 76.7814 143.763 PRESSAVG: 2038800 70.2525 -55.4805 -29.3013 -55.4804 -59.3693 -41.2019 -29.3013 -41.2019 6.20574 GPRESSAVG: 2038800 70.8457 -57.1432 -28.4146 -56.86 -59.0304 -41.8529 -29.1266 -39.6194 5.16826 TIMING: 2038800 CPU: 6517.96, 0.00317312/step Wall: 6517.96, 0.00317312/step, 2.61006 hours remaining, 232.082031 MB of memory in use. ENERGY: 2038800 3971.1036 20405.8090 14516.5025 239.4616 -203330.8498 2243.3008 0.0000 0.0000 52266.6172 -109688.0550 300.3770 -161954.6721 -109315.4466 298.6481 -59.5634 -30.3845 760748.4980 5.6963 5.6612 PRESSURE: 2039000 37.1456 38.9859 80.3828 38.9869 -75.14 155.328 80.3816 155.328 2.95112 GPRESSURE: 2039000 32.5305 1.61362 177.448 12.3527 -49.384 223.971 -17.8244 70.3275 49.1795 PRESSAVG: 2039000 -22.546 15.6389 -17.967 15.639 62.732 -38.1828 -17.967 -38.1828 -5.28974 GPRESSAVG: 2039000 -22.6172 16.4185 -19.474 16.0707 61.3531 -38.2154 -17.3123 -39.2757 -4.12626 TIMING: 2039000 CPU: 6518.59, 0.00316135/step Wall: 6518.59, 0.00316135/step, 2.60021 hours remaining, 232.082031 MB of memory in use. ENERGY: 2039000 4000.2791 20474.7389 14548.0432 252.6780 -203230.8045 2326.0763 0.0000 0.0000 52098.7645 -109530.2245 299.4123 -161628.9890 -109162.4888 299.2624 -11.6811 10.7753 762052.5651 11.6321 11.5365 PRESSURE: 2039200 305.679 81.2867 34.9799 81.2863 255.759 -132.17 34.9798 -132.169 85.8728 GPRESSURE: 2039200 410.647 51.2907 -10.4746 -96.7302 249.91 -80.2637 42.3733 -142.851 79.1805 PRESSAVG: 2039200 5.02335 -50.2626 7.38371 -50.2626 -4.40204 -37.9651 7.38374 -37.9651 11.5795 GPRESSAVG: 2039200 5.68881 -51.2577 7.14479 -49.834 -4.03601 -36.925 6.5255 -37.9219 10.7355 TIMING: 2039200 CPU: 6519.22, 0.00312967/step Wall: 6519.22, 0.00312967/step, 2.57398 hours remaining, 232.082031 MB of memory in use. ENERGY: 2039200 3981.9934 20427.7037 14516.3244 240.8041 -203663.3076 2806.4113 0.0000 0.0000 51960.5884 -109729.4823 298.6182 -161690.0707 -109363.5285 299.2576 215.7703 246.5792 760127.9537 4.0669 4.1294 PRESSURE: 2039400 -286.673 -187.618 -13.3326 -187.618 -180.955 182.236 -13.3333 182.237 177.981 GPRESSURE: 2039400 -225.48 -200.942 97.6292 -160.248 -114.381 163.424 -4.27213 187.704 136.329 PRESSAVG: 2039400 -4.9339 -35.4227 25.5087 -35.4227 -16.4014 -35.0359 25.5088 -35.0359 -21.0328 GPRESSAVG: 2039400 -3.96832 -34.2577 25.6357 -35.1853 -15.5857 -36.229 28.0001 -35.473 -22.1583 TIMING: 2039400 CPU: 6519.84, 0.00314589/step Wall: 6519.84, 0.00314589/step, 2.58715 hours remaining, 232.082031 MB of memory in use. ENERGY: 2039400 3949.3401 20356.1140 14495.0475 262.1740 -203180.5434 2218.1781 0.0000 0.0000 51938.0648 -109961.6249 298.4888 -161899.6897 -109611.4190 298.1751 -96.5487 -67.8440 761604.3070 -14.1227 -13.9041 PRESSURE: 2039600 479.004 130.436 125.273 130.436 -192.838 14.5263 125.274 14.5259 -164.08 GPRESSURE: 2039600 452.937 67.3874 148.26 107.867 -66.9623 -16.1494 141.512 -48.0287 -179.875 PRESSAVG: 2039600 66.5483 -67.9197 -10.1269 -67.9197 -68.6961 8.45343 -10.1269 8.45342 31.7607 GPRESSAVG: 2039600 64.9244 -67.9195 -10.5692 -68.869 -68.9445 8.5382 -12.069 7.68314 33.5487 TIMING: 2039600 CPU: 6520.47, 0.00314119/step Wall: 6520.47, 0.00314119/step, 2.58311 hours remaining, 232.082031 MB of memory in use. ENERGY: 2039600 4047.0362 20450.5051 14547.4216 261.4198 -203954.1232 2873.9422 0.0000 0.0000 51984.9856 -109788.8125 298.7584 -161773.7981 -109437.9958 298.5285 40.6957 68.6998 759902.1557 9.8710 9.8429 PRESSURE: 2039800 -277.958 -72.2376 133.718 -72.2375 -39.9006 -104.28 133.719 -104.281 -467.302 GPRESSURE: 2039800 -279.899 -247.294 101.016 -90.202 -45.2698 -59.7822 95.6777 23.8074 -384.829 PRESSAVG: 2039800 -15.3125 -44.4046 105.964 -44.4047 -1.10118 -17.768 105.964 -17.7679 -23.3014 GPRESSAVG: 2039800 -14.3417 -44.9747 106.603 -44.4991 -2.02398 -17.8254 104.464 -16.4282 -23.825 TIMING: 2039800 CPU: 6521.1, 0.00314221/step Wall: 6521.1, 0.00314221/step, 2.58377 hours remaining, 232.082031 MB of memory in use. ENERGY: 2039800 3898.9214 20511.0315 14469.8931 254.9213 -203259.0523 2315.5892 0.0000 0.0000 51863.4511 -109945.2446 298.0600 -161808.6957 -109593.9447 298.7289 -261.7203 -236.6658 760880.9102 -13.2384 -13.3969 PRESSURE: 2040000 -222.826 173.536 -128.563 173.536 -111.991 -30.0225 -128.563 -30.0229 -166.88 GPRESSURE: 2040000 -115.376 177.75 -156.318 7.81933 -157.147 -6.82475 -114.018 -6.74897 -141.148 PRESSAVG: 2040000 49.5972 -49.4337 59.0415 -49.4337 -13.1983 8.15439 59.0415 8.15442 1.30997 GPRESSAVG: 2040000 49.3461 -51.1415 59.3679 -50.5575 -12.4255 8.78864 58.9698 8.37027 0.864986 TIMING: 2040000 CPU: 6521.73, 0.00314182/step Wall: 6521.73, 0.00314182/step, 2.58328 hours remaining, 232.082031 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: 2040000 4000.9774 20482.1882 14490.2702 233.5392 -203391.5069 2403.7690 0.0000 0.0000 51604.1490 -110176.6139 296.5698 -161780.7630 -109821.7149 297.9621 -167.2325 -137.8902 761652.5796 12.5696 12.5952 PRESSURE: 2040200 -71.664 -35.8733 10.5836 -35.8735 122.75 146.094 10.5837 146.094 -81.0972 GPRESSURE: 2040200 51.7511 -1.90736 58.7539 37.9326 103.929 61.5225 -4.38472 97.7081 -116.652 PRESSAVG: 2040200 48.4904 -70.5237 39.2335 -70.5237 -28.318 -15.494 39.2335 -15.4939 -17.4586 GPRESSAVG: 2040200 49.6805 -70.3404 38.9928 -69.2648 -29.7417 -14.7427 41.0839 -16.4043 -17.3748 TIMING: 2040200 CPU: 6522.36, 0.00315258/step Wall: 6522.36, 0.00315258/step, 2.59195 hours remaining, 232.082031 MB of memory in use. ENERGY: 2040200 3945.9079 20412.8975 14475.3465 257.2994 -203903.0864 2764.2721 0.0000 0.0000 51836.2457 -110211.1172 297.9036 -162047.3629 -109858.5885 297.8863 -10.0039 13.0094 759732.0279 0.9046 0.8547 LDB: ============= START OF LOAD BALANCING ============== 6534.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6534.78 LDB: =============== DONE WITH MIGRATION ================ 6534.79 LDB: ============= START OF LOAD BALANCING ============== 6535.1 LDB: Largest compute 7033 load 0.035864 is 18.3% of average load 0.195532 LDB: Average compute 0.004386 is 2.2% of average load 0.195532 LDB: TIME 6535.1 LOAD: AVG 0.195532 MAX 0.215046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.375 MB LDB: TIME 6535.11 LOAD: AVG 0.195532 MAX 0.215046 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.469 MB LDB: TIME 6535.11 LOAD: AVG 0.195532 MAX 0.215046 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.469 MB LDB: ============== END OF LOAD BALANCING =============== 6535.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6535.11 PRESSURE: 2040400 309.602 -177.094 46.8365 -177.093 127.67 -127.456 46.8358 -127.457 -100.652 GPRESSURE: 2040400 358.442 -250.064 85.7724 -372.161 148.614 -114.704 25.2252 -175.789 -107.407 PRESSAVG: 2040400 30.5723 -55.6339 67.5443 -55.6339 25.6667 -41.6648 67.5442 -41.6648 3.38886 GPRESSAVG: 2040400 30.5857 -57.1214 68.2773 -55.5488 25.4688 -39.1485 67.5117 -44.8762 3.88999 TIMING: 2040400 CPU: 6523.01, 0.00322863/step Wall: 6523.01, 0.00322863/step, 2.65429 hours remaining, 233.113281 MB of memory in use. ENERGY: 2040400 3957.2192 20405.4672 14506.4729 271.6009 -203991.4225 2979.3472 0.0000 0.0000 51671.8766 -110199.4386 296.9590 -161871.3152 -109834.4228 297.9407 112.2065 133.2162 760464.5533 19.8760 19.9815 PRESSURE: 2040600 533.494 -26.392 163.471 -26.3912 234.958 188.161 163.471 188.161 381.435 GPRESSURE: 2040600 488.85 -114.978 105.436 40.0913 207.427 135.382 10.8086 249.832 544.524 PRESSAVG: 2040600 12.682 -40.6051 32.1952 -40.605 -16.3622 12.5503 32.1951 12.5503 4.46667 GPRESSAVG: 2040600 12.1673 -40.3043 31.7488 -40.9275 -16.2108 10.1964 31.5763 13.7143 4.65812 TIMING: 2040600 CPU: 6523.64, 0.00315068/step Wall: 6523.64, 0.00315068/step, 2.59003 hours remaining, 233.113281 MB of memory in use. ENERGY: 2040600 3963.0616 20517.0596 14566.8068 258.4752 -203824.4798 2840.4679 0.0000 0.0000 51584.1286 -110094.4801 296.4547 -161678.6087 -109735.9224 297.9567 383.2959 413.6004 760339.1865 0.2622 0.2049 PRESSURE: 2040800 65.6569 -74.9897 -158.926 -74.9897 196.431 -199.987 -158.926 -199.987 -21.5178 GPRESSURE: 2040800 135.092 -0.823507 -125.718 -217.377 282.26 -179.589 -110.031 -187.057 -98.9316 PRESSAVG: 2040800 -13.4689 -24.4923 41.1402 -24.4923 -24.4608 -13.2419 41.1402 -13.2419 -13.8404 GPRESSAVG: 2040800 -14.1806 -23.8817 40.4011 -23.2027 -23.766 -14.1095 42.1459 -12.1136 -13.8826 TIMING: 2040800 CPU: 6524.27, 0.00317394/step Wall: 6524.27, 0.00317394/step, 2.60898 hours remaining, 233.113281 MB of memory in use. ENERGY: 2040800 3948.0212 20279.5768 14472.3825 244.5678 -203860.2418 2859.1732 0.0000 0.0000 51804.5974 -110251.9229 297.7217 -162056.5203 -109893.0523 297.5810 80.1900 106.1401 761424.6914 -17.2567 -17.2764 PRESSURE: 2041000 411.734 169.986 47.084 169.985 254.511 93.4332 47.0842 93.4328 158.435 GPRESSURE: 2041000 464.457 68.544 53.0533 214.75 208.162 92.8586 34.0755 104.441 248.181 PRESSAVG: 2041000 -13.5842 23.3158 -40.926 23.3158 -0.981852 -10.5694 -40.926 -10.5695 9.68717 GPRESSAVG: 2041000 -13.6665 25.2431 -41.3737 22.2152 -1.26513 -9.23544 -41.0888 -11.4666 10.105 TIMING: 2041000 CPU: 6524.91, 0.00317602/step Wall: 6524.91, 0.00317602/step, 2.61051 hours remaining, 233.113281 MB of memory in use. ENERGY: 2041000 4003.2430 20331.5002 14506.0113 239.1881 -204064.5865 2960.1714 0.0000 0.0000 51967.6743 -110056.7982 298.6589 -162024.4725 -109699.2969 297.8744 274.8932 306.9337 760129.9063 -1.6263 -1.6089 PRESSURE: 2041200 269.342 -140.617 -34.3906 -140.616 -384.357 -409.246 -34.3905 -409.247 -499.675 GPRESSURE: 2041200 224.321 35.4023 -31.4234 -197.265 -265.104 -479.651 -116.656 -322.841 -468.129 PRESSAVG: 2041200 40.3213 -12.641 45.2618 -12.641 -54.2768 -93.7675 45.2618 -93.7675 -25.2614 GPRESSAVG: 2041200 41.3016 -14.2447 47.0508 -11.4857 -55.2708 -95.6358 43.4181 -91.5993 -25.4879 TIMING: 2041200 CPU: 6525.54, 0.00316348/step Wall: 6525.54, 0.00316348/step, 2.60003 hours remaining, 233.113281 MB of memory in use. ENERGY: 2041200 3991.4190 20466.5026 14458.2840 249.0625 -203604.4533 2549.9213 0.0000 0.0000 51912.9283 -109976.3355 298.3443 -161889.2638 -109617.2035 297.8308 -204.8968 -169.6372 760484.0828 -13.0723 -13.1524 PRESSURE: 2041400 -42.6887 -124.688 112.276 -124.689 -266.975 200.429 112.276 200.429 95.6195 GPRESSURE: 2041400 -29.2138 -132.146 205.268 -136.59 -166.262 179.216 74.5502 176.496 52.5374 PRESSAVG: 2041400 -38.7511 -67.1974 89.8004 -67.1974 17.0221 2.48158 89.8005 2.48162 -9.68504 GPRESSAVG: 2041400 -38.9658 -68.2121 89.4019 -68.758 18.1722 4.51553 88.2975 2.30686 -10.4924 TIMING: 2041400 CPU: 6526.18, 0.00319043/step Wall: 6526.18, 0.00319043/step, 2.622 hours remaining, 233.113281 MB of memory in use. ENERGY: 2041400 3930.1078 20415.2694 14471.7503 250.3873 -203526.8586 2461.2848 0.0000 0.0000 52222.3950 -109775.6640 300.1228 -161998.0590 -109410.0236 298.5994 -71.3479 -47.6462 760067.5917 -10.4713 -10.4287 PRESSURE: 2041600 -84.4459 -23.054 -117.555 -23.0541 -145.829 -154.99 -117.555 -154.99 -105.573 GPRESSURE: 2041600 -48.948 56.4253 -104.216 -102.217 -130.154 -193.438 -95.4548 -132.58 -58.1047 PRESSAVG: 2041600 -29.4935 -42.7074 38.1287 -42.7074 4.22597 -21.736 38.1287 -21.7359 13.2716 GPRESSAVG: 2041600 -30.0238 -40.9561 38.3781 -42.1684 4.73833 -22.4045 41.2976 -21.4348 13.4801 TIMING: 2041600 CPU: 6526.81, 0.00318144/step Wall: 6526.81, 0.00318144/step, 2.61443 hours remaining, 233.113281 MB of memory in use. ENERGY: 2041600 4010.6198 20461.6578 14484.6563 233.9473 -203732.3752 2732.4623 0.0000 0.0000 52234.2212 -109574.8105 300.1908 -161809.0317 -109210.5707 299.3750 -111.9494 -79.0687 761080.3703 -3.9986 -3.9351 PRESSURE: 2041800 -129.965 16.5113 -86.8875 16.5116 -177.243 115.066 -86.8875 115.066 223.476 GPRESSURE: 2041800 -62.9538 -50.2854 -40.5493 125.308 -209.488 67.559 -70.0517 185.227 278.762 PRESSAVG: 2041800 4.59213 -16.543 37.4553 -16.543 -42.9916 2.90104 37.4553 2.90101 -6.64175 GPRESSAVG: 2041800 5.13816 -14.8645 37.0808 -18.0792 -43.747 1.6935 36.6713 2.59652 -6.52424 TIMING: 2041800 CPU: 6527.44, 0.0031549/step Wall: 6527.44, 0.0031549/step, 2.59245 hours remaining, 233.113281 MB of memory in use. ENERGY: 2041800 3973.9384 20518.6155 14523.8747 237.1121 -203430.9952 2505.7319 0.0000 0.0000 52118.9508 -109552.7718 299.5283 -161671.7226 -109195.0939 299.3251 -27.9107 2.1067 761274.4023 -15.0138 -15.0444 PRESSURE: 2042000 94.7719 -289.934 -22.1619 -289.934 -118.528 176.202 -22.1627 176.203 147.36 GPRESSURE: 2042000 79.2295 -192.422 19.0442 -215.265 -40.9962 184.318 -80.8753 208.124 174.951 PRESSAVG: 2042000 49.3628 -28.8973 28.5036 -28.8973 -50.0236 12.2059 28.5035 12.2058 27.4525 GPRESSAVG: 2042000 49.4203 -30.0446 28.2234 -27.232 -49.9295 13.9357 27.5473 10.836 27.3717 TIMING: 2042000 CPU: 6528.08, 0.0031545/step Wall: 6528.08, 0.0031545/step, 2.59194 hours remaining, 233.113281 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: 2042000 3950.1693 20638.7841 14550.7550 253.5476 -203530.2646 2788.2037 0.0000 0.0000 52150.6966 -109198.1084 299.7108 -161348.8050 -108831.5608 299.9987 41.2014 71.0614 761669.6034 8.9306 8.9542 PRESSURE: 2042200 -181.534 86.5096 -13.187 86.5095 -96.5823 -4.19039 -13.1879 -4.19103 -539.885 GPRESSURE: 2042200 -175.603 -31.1958 -9.08355 90.5125 -74.2359 15.7394 -41.8121 -25.927 -476.931 PRESSAVG: 2042200 26.3785 -119.771 -12.0818 -119.771 -64.8694 -47.7285 -12.0818 -47.7286 -28.3545 GPRESSAVG: 2042200 26.1417 -120.273 -12.2729 -122.627 -64.4213 -47.2247 -9.21191 -48.8432 -28.8022 TIMING: 2042200 CPU: 6528.71, 0.00317046/step Wall: 6528.71, 0.00317046/step, 2.60488 hours remaining, 233.113281 MB of memory in use. ENERGY: 2042200 3974.0571 20728.3379 14479.0062 241.7156 -203318.7695 2331.1479 0.0000 0.0000 52258.3114 -109306.1934 300.3292 -161564.5048 -108955.0522 299.9472 -272.6670 -242.2565 762381.4101 -22.2818 -22.3606 PRESSURE: 2042400 -205.005 53.7191 126.568 53.7194 -151.721 66.5766 126.568 66.5762 26.3195 GPRESSURE: 2042400 -234.749 176.201 53.2187 5.58696 -75.0164 43.5661 4.70784 89.4709 50.4186 PRESSAVG: 2042400 -1.61242 -53.3778 -7.03115 -53.3779 -4.86127 -40.5289 -7.03113 -40.5288 12.527 GPRESSAVG: 2042400 -1.38383 -53.0558 -7.6397 -51.5185 -4.88541 -42.3989 -9.21025 -36.9952 11.993 TIMING: 2042400 CPU: 6529.34, 0.00317294/step Wall: 6529.34, 0.00317294/step, 2.60675 hours remaining, 233.113281 MB of memory in use. ENERGY: 2042400 4003.1698 20588.6332 14508.5812 246.1646 -203315.2010 2580.9044 0.0000 0.0000 52245.4693 -109142.2785 300.2554 -161387.7478 -108790.7065 300.0265 -110.1355 -86.4490 762726.1183 2.0178 1.9079 PRESSURE: 2042600 206.386 -75.2922 29.0495 -75.2928 20.5719 34.8551 29.0499 34.8554 247.495 GPRESSURE: 2042600 277.69 66.8382 10.1568 -101.948 19.4983 -14.5997 162.119 85.1166 270.252 PRESSAVG: 2042600 69.373 -6.40012 34.4566 -6.40018 -78.1036 -40.8304 34.4566 -40.8304 -2.44335 GPRESSAVG: 2042600 67.0726 -5.82484 33.9673 -3.5915 -77.6659 -37.4902 33.8761 -43.4025 -0.86994 TIMING: 2042600 CPU: 6529.98, 0.0031739/step Wall: 6529.98, 0.0031739/step, 2.60736 hours remaining, 233.113281 MB of memory in use. ENERGY: 2042600 3997.0942 20487.8940 14547.4807 240.5465 -203585.7175 2713.2995 0.0000 0.0000 52225.9999 -109373.4028 300.1435 -161599.4027 -109007.6327 299.9578 158.1511 189.1468 761727.2023 -3.7246 -3.8211 PRESSURE: 2042800 -99.9314 -198.129 -208.991 -198.129 166.355 -106.781 -208.991 -106.781 379.081 GPRESSURE: 2042800 -29.3372 -234.303 -220.78 -257.096 190.176 -146.028 -201.658 -193.929 350.456 PRESSAVG: 2042800 -4.48752 -59.9356 21.3764 -59.9356 0.704129 22.2889 21.3764 22.2889 -3.88848 GPRESSAVG: 2042800 -2.34758 -59.0309 22.6273 -62.8893 -0.224245 20.3985 22.7972 23.4278 -5.23888 TIMING: 2042800 CPU: 6530.61, 0.00317727/step Wall: 6530.61, 0.00317727/step, 2.60995 hours remaining, 233.113281 MB of memory in use. ENERGY: 2042800 4001.0693 20424.1705 14575.8318 242.9125 -203328.4447 2699.2955 0.0000 0.0000 51984.9683 -109400.1968 298.7583 -161385.1650 -109032.2289 299.6113 148.5017 170.4315 761008.3337 -2.5573 -2.6036 PRESSURE: 2043000 163.698 -62.1595 -116.652 -62.1585 -301.187 251.079 -116.652 251.078 -545.658 GPRESSURE: 2043000 211.303 -134.94 -98.4753 -56.1662 -281.544 256.899 -39.4134 187.79 -540.03 PRESSAVG: 2043000 2.90912 -16.28 -7.5004 -16.28 18.5326 -5.03711 -7.50038 -5.0371 16.8984 GPRESSAVG: 2043000 1.56593 -19.833 -6.6763 -14.4466 18.8438 -5.5545 -7.67843 -3.49887 17.3098 TIMING: 2043000 CPU: 6531.25, 0.00317243/step Wall: 6531.25, 0.00317243/step, 2.6058 hours remaining, 233.113281 MB of memory in use. ENERGY: 2043000 4054.4858 20555.9777 14567.2576 262.5152 -203495.5487 2595.6389 0.0000 0.0000 52064.4904 -109395.1830 299.2153 -161459.6733 -109031.6513 299.7705 -227.7156 -203.4237 762683.3160 12.7800 12.5732 PRESSURE: 2043200 99.9979 -3.70335 -21.9057 -3.70363 64.4567 -207.894 -21.9055 -207.894 -196.291 GPRESSURE: 2043200 157.433 50.0502 -12.2045 -75.1409 71.0363 -256.953 69.6505 -195.313 -191.027 PRESSAVG: 2043200 -15.9133 -56.3239 69.6139 -56.3239 1.67552 -5.7851 69.6138 -5.78519 13.5413 GPRESSAVG: 2043200 -15.0084 -52.3757 69.1389 -57.0571 1.47403 -5.07351 69.8228 -8.13957 12.5415 TIMING: 2043200 CPU: 6531.88, 0.00317882/step Wall: 6531.88, 0.00317882/step, 2.61087 hours remaining, 233.113281 MB of memory in use. ENERGY: 2043200 4002.0248 20525.3108 14463.6477 234.2084 -203532.9573 2688.5839 0.0000 0.0000 51991.0228 -109628.1589 298.7931 -161619.1817 -109259.5989 299.0523 -10.6122 12.4806 761177.1309 -0.2322 -0.3310 PRESSURE: 2043400 86.2987 189.02 192.525 189.02 -86.8661 -264.475 192.525 -264.473 -491.77 GPRESSURE: 2043400 27.7282 74.3217 186.331 111.084 -70.6085 -181.088 209.859 -186.299 -348.155 PRESSAVG: 2043400 23.6273 -55.7096 37.4154 -55.7096 0.848044 -17.2218 37.4154 -17.2218 11.0427 GPRESSAVG: 2043400 22.123 -58.2789 37.4913 -56.7526 1.47956 -16.8317 36.4514 -15.4398 11.7565 TIMING: 2043400 CPU: 6532.52, 0.00316908/step Wall: 6532.52, 0.00316908/step, 2.6027 hours remaining, 233.113281 MB of memory in use. ENERGY: 2043400 4050.8039 20611.8672 14529.8761 246.3464 -203646.9974 2466.8728 0.0000 0.0000 51952.4851 -109788.7459 298.5716 -161741.2310 -109431.5346 298.7864 -164.1125 -130.3452 762507.2892 11.8393 11.7864 PRESSURE: 2043600 -188.839 105.045 34.0422 105.046 -80.5491 -1.73725 34.0434 -1.7372 -182.177 GPRESSURE: 2043600 -134.525 15.8339 50.0272 127.569 -86.3861 7.93883 70.0232 -54.5726 -153.605 PRESSAVG: 2043600 28.141 -25.1238 3.40649 -25.1238 -0.161675 21.1326 3.4065 21.1326 11.9102 GPRESSAVG: 2043600 29.202 -26.6773 3.60183 -23.0151 -0.998923 20.7571 3.38178 22.944 11.558 TIMING: 2043600 CPU: 6533.15, 0.00316755/step Wall: 6533.15, 0.00316755/step, 2.60126 hours remaining, 233.113281 MB of memory in use. ENERGY: 2043600 4063.5459 20628.9561 14477.1238 249.8777 -203650.3735 2768.6894 0.0000 0.0000 51802.3936 -109659.7869 297.7091 -161462.1806 -109306.3263 299.2163 -150.5217 -124.8388 761871.8541 13.2965 13.2537 PRESSURE: 2043800 -327.876 10.8195 -153.574 10.8187 -204.016 11.9914 -153.574 11.9917 55.2088 GPRESSURE: 2043800 -241.3 8.50346 -296.478 39.0029 -228.997 76.6657 -96.2655 -75.8697 78.8408 PRESSAVG: 2043800 20.6862 -65.0139 4.34424 -65.0139 -29.3934 -25.2667 4.34423 -25.2667 4.22947 GPRESSAVG: 2043800 21.1713 -63.441 2.64032 -65.9621 -29.8017 -25.7903 5.67351 -27.2431 3.8378 TIMING: 2043800 CPU: 6533.79, 0.00320045/step Wall: 6533.79, 0.00320045/step, 2.62811 hours remaining, 233.113281 MB of memory in use. ENERGY: 2043800 4047.4893 20509.3327 14511.6111 247.9434 -203592.0548 2511.4632 0.0000 0.0000 52183.5583 -109580.6568 299.8996 -161764.2150 -109223.2585 299.0283 -158.8946 -130.4856 760581.5536 -1.4926 -1.5975 PRESSURE: 2044000 -168.104 -146.832 104.531 -146.832 -144.593 -66.7775 104.531 -66.7769 96.9747 GPRESSURE: 2044000 -106.143 -225.997 201.644 -11.0549 -97.9108 -115.033 34.5155 95.6066 58.4824 PRESSAVG: 2044000 37.7179 -32.8434 22.3568 -32.8435 -42.4241 2.45943 22.3568 2.45949 -24.6786 GPRESSAVG: 2044000 37.5104 -31.6678 22.8798 -32.4659 -41.6636 2.09333 21.0904 2.8411 -24.6877 TIMING: 2044000 CPU: 6534.43, 0.00317616/step Wall: 6534.43, 0.00317616/step, 2.60798 hours remaining, 233.113281 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: 2044000 4020.6311 20475.3694 14551.4767 228.3561 -203187.1124 2374.6858 0.0000 0.0000 51903.8710 -109632.7223 298.2923 -161536.5933 -109271.8246 299.4232 -71.9077 -48.5239 761373.2583 -9.7949 -9.6136 PRESSURE: 2044200 -19.1373 -178.07 15.1432 -178.071 167.066 97.4951 15.1432 97.4952 197.376 GPRESSURE: 2044200 63.6545 -174.256 10.7547 -154.765 256.43 23.5422 120.619 -46.9368 123.684 PRESSAVG: 2044200 18.3147 -39.7144 28.6169 -39.7143 -43.0877 0.740225 28.617 0.740265 -5.12111 GPRESSAVG: 2044200 17.8523 -41.0675 28.6476 -39.7039 -44.1866 0.737344 30.7683 1.03678 -3.91708 TIMING: 2044200 CPU: 6535.06, 0.00316868/step Wall: 6535.06, 0.00316867/step, 2.60166 hours remaining, 233.113281 MB of memory in use. ENERGY: 2044200 3956.3468 20536.5840 14550.2385 250.3721 -203766.4330 2608.6665 0.0000 0.0000 52168.2315 -109695.9936 299.8115 -161864.2252 -109338.9923 298.9936 115.1015 147.9228 758916.1796 -9.9647 -10.0838 LDB: ============= START OF LOAD BALANCING ============== 6547.48 LDB: ============== END OF LOAD BALANCING =============== 6547.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6547.49 LDB: ============= START OF LOAD BALANCING ============== 6547.8 LDB: Largest compute 7031 load 0.036561 is 18.7% of average load 0.195401 LDB: Average compute 0.004417 is 2.3% of average load 0.195401 LDB: TIME 6547.81 LOAD: AVG 0.195401 MAX 0.215151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.629 MB LDB: TIME 6547.81 LOAD: AVG 0.195401 MAX 0.215151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.633 MB LDB: TIME 6547.81 LOAD: AVG 0.195401 MAX 0.215151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.633 MB LDB: ============== END OF LOAD BALANCING =============== 6547.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6547.81 PRESSURE: 2044400 -33.954 -147.19 -41.1187 -147.191 -366.563 -166.29 -41.1192 -166.29 218.347 GPRESSURE: 2044400 -93.2432 -70.0407 -48.1931 -139.132 -203.054 -190.554 -61.4468 -380.576 224.862 PRESSAVG: 2044400 12.8206 -62.7522 -11.8352 -62.7521 11.5559 -14.4238 -11.8352 -14.4238 -10.9865 GPRESSAVG: 2044400 11.8644 -62.3664 -10.6204 -64.0933 13.5175 -14.2475 -13.2521 -14.0132 -12.1759 TIMING: 2044400 CPU: 6535.71, 0.00323378/step Wall: 6535.71, 0.00323378/step, 2.65493 hours remaining, 231.113281 MB of memory in use. ENERGY: 2044400 3967.4080 20613.7727 14576.2754 236.2317 -203552.3077 2594.1359 0.0000 0.0000 51997.6166 -109566.8673 298.8310 -161564.4839 -109208.5594 299.2757 -60.7234 -23.8117 760846.2847 4.4633 4.4020 PRESSURE: 2044600 -109.193 28.7791 -38.8624 28.7787 -487.921 -62.2292 -38.862 -62.2298 312.893 GPRESSURE: 2044600 -128.217 56.454 -78.2072 63.3152 -335.597 -119.918 -56.4303 -40.4629 254.676 PRESSAVG: 2044600 -9.51583 -2.27693 33.1929 -2.27691 22.6534 4.55885 33.1929 4.55893 -0.0942958 GPRESSAVG: 2044600 -7.91612 -1.44919 33.3678 -1.20377 21.1112 5.97279 33.4542 2.71402 -0.72993 TIMING: 2044600 CPU: 6536.34, 0.00317067/step Wall: 6536.34, 0.00317067/step, 2.60294 hours remaining, 231.316406 MB of memory in use. ENERGY: 2044600 4002.5437 20452.5327 14618.2222 259.0681 -203484.1388 2418.3252 0.0000 0.0000 52230.1528 -109503.2940 300.1674 -161733.4469 -109142.1798 299.5769 -94.7403 -69.7128 760111.9079 4.3478 4.1551 PRESSURE: 2044800 55.9315 60.2294 -38.9358 60.2303 4.54587 94.1295 -38.9351 94.1288 92.7249 GPRESSURE: 2044800 76.7431 24.9626 -0.121259 -51.7694 36.2651 5.3223 -199.178 179.58 107.658 PRESSAVG: 2044800 9.89539 -16.9203 45.9158 -16.9202 1.01667 -30.1115 45.9158 -30.1115 8.72592 GPRESSAVG: 2044800 8.59761 -16.5034 44.7058 -17.1925 1.88601 -31.9649 45.9149 -30.1429 9.89531 TIMING: 2044800 CPU: 6536.98, 0.00317019/step Wall: 6536.98, 0.00317019/step, 2.60237 hours remaining, 231.316406 MB of memory in use. ENERGY: 2044800 3995.9239 20613.4044 14575.1564 272.8288 -203417.9123 2534.3390 0.0000 0.0000 52015.4770 -109410.7827 298.9337 -161426.2597 -109058.4475 299.6363 51.0674 73.5555 760943.2745 6.5460 6.7930 PRESSURE: 2045000 -215.908 -166.333 -164.631 -166.333 -422.715 4.59227 -164.632 4.59167 -124.689 GPRESSURE: 2045000 -150.753 -108.102 -103.462 -103.33 -375.178 10.6906 -232.494 18.0409 -164.973 PRESSAVG: 2045000 1.47896 -6.48506 30.8178 -6.48505 5.08993 -2.44556 30.8178 -2.44559 -4.02044 GPRESSAVG: 2045000 2.80893 -5.79016 32.6089 -5.72662 5.26167 -2.19107 31.1682 -1.08668 -4.88686 TIMING: 2045000 CPU: 6537.61, 0.00318019/step Wall: 6537.61, 0.00318019/step, 2.6104 hours remaining, 231.316406 MB of memory in use. ENERGY: 2045000 4005.5548 20346.4866 14591.0296 238.5271 -202736.9324 1945.0753 0.0000 0.0000 52076.1313 -109534.1277 299.2822 -161610.2590 -109163.0302 299.4469 -254.4375 -230.3013 760411.6006 0.8495 1.0612 PRESSURE: 2045200 388.243 -15.2733 102.413 -15.273 -142.684 -131.161 102.413 -131.16 -45.8813 GPRESSURE: 2045200 294.454 -31.8732 207.48 -70.5315 -37.0411 -194.33 62.3208 -173.196 0.89639 PRESSAVG: 2045200 14.4649 13.1692 72.7064 13.1692 -3.70163 33.5498 72.7065 33.5499 -15.1498 GPRESSAVG: 2045200 14.4344 11.6979 71.3409 11.5694 -5.22145 34.1932 73.6896 34.644 -13.776 TIMING: 2045200 CPU: 6538.24, 0.00314737/step Wall: 6538.24, 0.00314737/step, 2.58329 hours remaining, 231.316406 MB of memory in use. ENERGY: 2045200 3947.7467 20489.8644 14482.1760 231.9917 -203132.4751 2414.9949 0.0000 0.0000 52173.3539 -109392.3473 299.8410 -161565.7013 -109023.5483 299.3417 66.5592 86.1031 759026.0007 -1.4622 -1.5210 PRESSURE: 2045400 133.386 -93.5307 173.17 -93.531 -54.9919 60.3229 173.169 60.3244 43.2453 GPRESSURE: 2045400 158.6 -6.67686 169.003 -148.94 20.2546 8.3414 105.696 148.962 31.1132 PRESSAVG: 2045400 43.1143 -46.9813 47.9307 -46.9813 -37.5091 -16.0604 47.9307 -16.0604 -7.4363 GPRESSAVG: 2045400 40.4303 -45.3331 47.1119 -47.8144 -35.6169 -17.1846 46.5723 -18.3051 -7.07899 TIMING: 2045400 CPU: 6538.87, 0.00316856/step Wall: 6538.87, 0.00316856/step, 2.60051 hours remaining, 231.316406 MB of memory in use. ENERGY: 2045400 3957.9613 20337.9349 14531.8928 247.3764 -203218.9458 2481.1550 0.0000 0.0000 51995.5894 -109667.0360 298.8194 -161662.6254 -109300.8032 298.9398 40.5463 69.9891 761127.2547 -0.6104 -0.7552 PRESSURE: 2045600 -22.0527 75.698 -54.454 75.6987 -193.067 186.827 -54.4534 186.827 -22.794 GPRESSURE: 2045600 -78.1925 142.077 7.90157 37.1702 -15.1422 200.565 -120.159 176.405 -76.8472 PRESSAVG: 2045600 5.76306 4.6451 55.7438 4.64507 4.31184 43.6347 55.7439 43.6346 -16.4659 GPRESSAVG: 2045600 6.7281 4.19418 57.9883 7.50294 3.16009 45.3766 53.7303 43.5821 -16.8206 TIMING: 2045600 CPU: 6539.51, 0.00317751/step Wall: 6539.51, 0.00317751/step, 2.60768 hours remaining, 231.316406 MB of memory in use. ENERGY: 2045600 4003.6941 20371.1746 14451.2235 268.6325 -203574.0560 2754.1039 0.0000 0.0000 51931.9333 -109793.2943 298.4535 -161725.2275 -109437.0820 298.3460 -79.3045 -56.7273 760788.0296 -2.1303 -2.3108 PRESSURE: 2045800 -116.06 100.004 145.867 100.005 -49.9562 124.355 145.867 124.356 -469.917 GPRESSURE: 2045800 19.4702 172.703 45.6456 -55.1005 -133.936 122.393 186.421 113.979 -449.48 PRESSAVG: 2045800 -50.2932 -0.195486 48.8839 -0.195493 27.1336 36.0963 48.8839 36.0962 -12.3206 GPRESSAVG: 2045800 -49.5604 0.453966 46.4413 -1.9811 27.0709 35.4483 52.2594 35.635 -13.1843 TIMING: 2045800 CPU: 6540.15, 0.00317572/step Wall: 6540.15, 0.00317572/step, 2.60603 hours remaining, 231.316406 MB of memory in use. ENERGY: 2045800 4069.8367 20391.3426 14511.2847 223.3952 -203432.5045 2520.9339 0.0000 0.0000 51968.5950 -109747.1163 298.6642 -161715.7113 -109384.8927 298.2256 -211.9775 -187.9819 762241.2226 -11.8268 -11.8913 PRESSURE: 2046000 -151.85 64.6974 78.8776 64.698 -193.305 -108.993 78.8774 -108.993 -14.5898 GPRESSURE: 2046000 -128.977 28.7773 117.306 82.4821 -121.779 -89.5868 71.4816 -28.8272 6.31839 PRESSAVG: 2046000 -48.8754 -20.3608 -37.735 -20.3608 23.1879 -17.4787 -37.735 -17.4786 -6.92381 GPRESSAVG: 2046000 -48.7472 -21.7272 -36.2413 -19.2045 22.7981 -17.1052 -39.5672 -16.7826 -6.05855 TIMING: 2046000 CPU: 6540.78, 0.00319187/step Wall: 6540.78, 0.00319187/step, 2.6191 hours remaining, 231.316406 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: 2046000 3972.0544 20638.9991 14465.0980 242.7182 -203509.5069 2544.1651 0.0000 0.0000 51972.3181 -109674.1539 298.6856 -161646.4720 -109320.7595 298.6866 -119.9146 -81.4794 760891.8927 -10.8704 -10.6692 PRESSURE: 2046200 85.8388 -86.7516 152.942 -86.7516 -24.1039 149.515 152.943 149.515 455.14 GPRESSURE: 2046200 137.161 -56.3288 178.327 -69.2802 38.0209 140.729 -72.4035 55.7322 422.311 PRESSAVG: 2046200 12.4027 -15.7173 -6.36924 -15.7173 -12.1375 12.5553 -6.36918 12.5553 1.91987 GPRESSAVG: 2046200 10.424 -15.6562 -7.46269 -16.8125 -9.81982 10.4762 -6.0411 14.8943 1.21109 TIMING: 2046200 CPU: 6541.42, 0.00318778/step Wall: 6541.42, 0.00318778/step, 2.61557 hours remaining, 231.316406 MB of memory in use. ENERGY: 2046200 3959.4343 20427.4640 14504.3453 243.6349 -203935.0148 2877.3956 0.0000 0.0000 52292.1433 -109630.5974 300.5237 -161922.7407 -109265.5919 299.1383 172.2916 199.1642 760090.0200 0.7284 0.6051 PRESSURE: 2046400 -156.841 -159.57 139.867 -159.57 -107.591 35.1742 139.868 35.1736 -60.7443 GPRESSURE: 2046400 -153.438 -126.963 199.246 -182.862 -91.1275 -34.1838 16.9968 67.12 -6.89568 PRESSAVG: 2046400 18.3744 -33.6136 8.21359 -33.6136 -20.1765 50.7252 8.21364 50.7252 -28.6152 GPRESSAVG: 2046400 20.1463 -34.1103 8.00681 -33.421 -22.7186 51.3741 6.45912 48.5517 -28.4168 TIMING: 2046400 CPU: 6542.05, 0.00315933/step Wall: 6542.05, 0.00315933/step, 2.59206 hours remaining, 231.316406 MB of memory in use. ENERGY: 2046400 3941.3908 20489.7983 14521.2761 247.0490 -203668.0225 2728.9035 0.0000 0.0000 51891.9913 -109847.6134 298.2240 -161739.6048 -109485.2232 299.0226 -108.3924 -83.8205 760878.6533 -10.1391 -10.3297 PRESSURE: 2046600 -25.1238 -118.808 -190.185 -118.808 54.76 -315.19 -190.185 -315.189 -156.312 GPRESSURE: 2046600 24.9001 -53.0062 -186.773 -124.34 71.4207 -291.361 -103.004 -218.869 -140.474 PRESSAVG: 2046600 56.1189 -8.96841 9.96436 -8.96834 -9.10354 33.6914 9.96434 33.6915 -0.441071 GPRESSAVG: 2046600 54.8654 -8.74975 10.1311 -9.14909 -8.21364 34.0315 10.382 33.3517 0.216631 TIMING: 2046600 CPU: 6542.68, 0.00315317/step Wall: 6542.68, 0.00315317/step, 2.58683 hours remaining, 231.316406 MB of memory in use. ENERGY: 2046600 4001.1153 20391.4862 14516.6817 240.8114 -203931.9669 2537.6498 0.0000 0.0000 52318.6686 -109925.5538 300.6761 -162244.2224 -109562.6154 298.7944 -42.2253 -14.7176 758168.2314 15.5248 15.6228 PRESSURE: 2046800 103.122 -71.9572 -299.42 -71.9572 -329.013 -185.918 -299.42 -185.917 155.84 GPRESSURE: 2046800 88.1353 -77.8776 -267.939 -22.6985 -206.012 -218.508 -155.179 -233.989 129.18 PRESSAVG: 2046800 5.53847 -22.5561 -3.80614 -22.5561 13.8069 -6.27248 -3.8061 -6.27259 24.4267 GPRESSAVG: 2046800 6.39302 -21.6153 -3.35071 -22.9586 14.3858 -7.19293 -0.788755 -6.24494 23.4281 TIMING: 2046800 CPU: 6543.32, 0.00316232/step Wall: 6543.32, 0.00316232/step, 2.59416 hours remaining, 231.316406 MB of memory in use. ENERGY: 2046800 3921.9931 20568.5305 14487.5027 252.2789 -203523.0713 2524.4962 0.0000 0.0000 51816.3183 -109951.9515 297.7891 -161768.2698 -109596.1050 298.7653 -23.3503 3.7678 759620.0062 14.5907 14.7356 PRESSURE: 2047000 -187.186 271.83 -69.6506 271.832 133.761 55.6779 -69.6496 55.6772 -283.055 GPRESSURE: 2047000 -111.77 209.453 -164.003 311.345 110.696 51.601 -100.809 136.649 -266.537 PRESSAVG: 2047000 26.4473 -1.66665 36.8208 -1.66671 -13.7999 38.3419 36.8208 38.3419 -5.3682 GPRESSAVG: 2047000 26.7141 -4.32986 35.4779 -0.273844 -15.9541 39.5363 38.3867 40.1923 -4.30473 TIMING: 2047000 CPU: 6543.95, 0.00315601/step Wall: 6543.95, 0.00315601/step, 2.58881 hours remaining, 231.316406 MB of memory in use. ENERGY: 2047000 4037.0780 20429.1823 14497.5772 257.4496 -203715.2676 2693.7142 0.0000 0.0000 51884.2298 -109916.0366 298.1794 -161800.2663 -109552.7012 298.2198 -112.1598 -89.2039 759556.7072 2.4264 2.1518 PRESSURE: 2047200 -225.251 -209.439 57.4973 -209.439 0.265933 -102.022 57.4977 -102.021 -49.6406 GPRESSURE: 2047200 -216.561 -240.409 0.423633 -100.205 22.0727 -79.8114 151.928 -17.341 0.0378517 PRESSAVG: 2047200 17.9612 -16.3099 17.7524 -16.3099 9.28224 19.3415 17.7524 19.3415 -2.92106 GPRESSAVG: 2047200 18.0843 -14.2231 17.5791 -19.1182 9.45368 18.7288 16.2556 19.8244 -3.76765 TIMING: 2047200 CPU: 6544.58, 0.00317084/step Wall: 6544.58, 0.00317084/step, 2.60079 hours remaining, 231.316406 MB of memory in use. ENERGY: 2047200 4019.5812 20561.0932 14469.1442 239.6096 -203340.2364 2415.3406 0.0000 0.0000 51958.4982 -109676.9695 298.6062 -161635.4677 -109315.4797 298.8338 -91.5419 -64.8167 761925.5834 8.1075 7.9235 PRESSURE: 2047400 -320.135 -130.689 38.2554 -130.689 -156.851 140.241 38.2548 140.24 3.5229 GPRESSURE: 2047400 -238.071 -138.436 128.639 -152.383 -132.788 140.191 -49.5522 111.606 -11.4365 PRESSAVG: 2047400 30.293 -29.3186 18.6869 -29.3187 -18.0521 22.0744 18.6869 22.0744 -8.06909 GPRESSAVG: 2047400 29.3897 -30.4537 19.9838 -26.4497 -16.8852 22.4813 15.1862 20.068 -8.01007 TIMING: 2047400 CPU: 6545.22, 0.00316786/step Wall: 6545.22, 0.00316786/step, 2.59817 hours remaining, 231.316406 MB of memory in use. ENERGY: 2047400 3973.6227 20476.5492 14517.7988 244.4363 -203663.7144 2695.6891 0.0000 0.0000 52110.9869 -109644.6314 299.4826 -161755.6183 -109273.1257 298.9799 -157.8210 -127.4320 761146.2169 1.3906 1.4981 PRESSURE: 2047600 -72.1805 277.312 91.2547 277.311 280.858 97.733 91.2553 97.7336 284.784 GPRESSURE: 2047600 -46.8991 134.018 68.5968 138.41 310.325 85.1615 34.8443 168.278 306.286 PRESSAVG: 2047600 3.39176 -17.6396 24.8496 -17.6397 5.00129 -11.6602 24.8496 -11.6602 15.0272 GPRESSAVG: 2047600 4.14383 -19.1129 24.8189 -18.9544 3.04815 -12.3502 25.6032 -9.42932 15.5149 TIMING: 2047600 CPU: 6545.85, 0.00315298/step Wall: 6545.85, 0.00315298/step, 2.58579 hours remaining, 231.316406 MB of memory in use. ENERGY: 2047600 3940.8547 20576.8552 14543.5729 239.4834 -203213.2219 2622.3915 0.0000 0.0000 51882.5747 -109407.4895 298.1699 -161290.0642 -109041.1983 298.9920 164.4873 189.9040 761254.5340 7.8068 7.5690 PRESSURE: 2047800 131.229 -307.189 -74.8397 -307.188 184.433 -3.72929 -74.8398 -3.72884 174.973 GPRESSURE: 2047800 168.737 -320.55 -106.911 -227.376 234.926 22.6524 -63.5726 54.1674 189.873 PRESSAVG: 2047800 -6.56642 -2.70472 12.3345 -2.70473 29.0349 -15.5443 12.3345 -15.5442 28.9392 GPRESSAVG: 2047800 -8.23244 -2.47027 10.8642 -2.7421 30.8064 -12.9077 14.3491 -18.2659 29.0905 TIMING: 2047800 CPU: 6546.48, 0.00317537/step Wall: 6546.48, 0.00317537/step, 2.60398 hours remaining, 231.316406 MB of memory in use. ENERGY: 2047800 3978.9965 20496.3827 14465.5885 245.7235 -203768.4175 2953.1463 0.0000 0.0000 52038.4307 -109590.1495 299.0656 -161628.5801 -109227.3654 298.9194 163.5451 197.8453 762185.4732 17.1359 17.2215 PRESSURE: 2048000 237.919 -260.495 -206.92 -260.496 173.572 19.6998 -206.92 19.7 50.8125 GPRESSURE: 2048000 219.405 -275.93 -219.034 -204.344 211.379 -4.14617 -196.053 25.4398 95.3236 PRESSAVG: 2048000 -1.67014 -84.1411 5.30836 -84.1411 27.2067 40.4065 5.30835 40.4064 -4.24117 GPRESSAVG: 2048000 -0.455227 -81.8053 6.47165 -85.1424 26.4093 35.8821 6.24999 42.6233 -4.71375 TIMING: 2048000 CPU: 6547.11, 0.00316439/step Wall: 6547.11, 0.00316439/step, 2.5948 hours remaining, 231.316406 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: 2048000 3943.2933 20537.0220 14598.1093 240.0162 -203341.6510 2777.3660 0.0000 0.0000 51965.9060 -109279.9384 298.6488 -161245.8444 -108926.6293 299.1812 154.1010 175.3690 762647.4701 7.0985 7.0801 PRESSURE: 2048200 342.65 -309.648 103.132 -309.648 -271.146 -15.9246 103.132 -15.9247 -177.64 GPRESSURE: 2048200 242.633 -355.273 91.9841 -261.216 -178.192 -18.4592 113.235 -114.556 -88.0609 PRESSAVG: 2048200 22.013 -28.0914 -3.14251 -28.0915 23.3873 -16.8845 -3.14248 -16.8845 11.1189 GPRESSAVG: 2048200 23.3918 -27.8605 -3.26632 -25.8056 21.7308 -13.4727 -5.64826 -16.1742 10.8309 TIMING: 2048200 CPU: 6547.75, 0.00316479/step Wall: 6547.75, 0.00316479/step, 2.59495 hours remaining, 231.316406 MB of memory in use. ENERGY: 2048200 4029.3203 20568.7431 14618.6626 258.9479 -203383.9633 2599.3855 0.0000 0.0000 51994.1679 -109314.7358 298.8112 -161308.9038 -108963.5177 299.4105 -35.3786 -7.8732 762054.1404 18.8397 18.6512 LDB: ============= START OF LOAD BALANCING ============== 6560.17 LDB: ============== END OF LOAD BALANCING =============== 6560.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6560.17 LDB: ============= START OF LOAD BALANCING ============== 6560.49 LDB: Largest compute 7069 load 0.035284 is 18.0% of average load 0.195499 LDB: Average compute 0.004380 is 2.2% of average load 0.195499 LDB: TIME 6560.49 LOAD: AVG 0.195499 MAX 0.212039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.684 MB LDB: TIME 6560.49 LOAD: AVG 0.195499 MAX 0.212039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: TIME 6560.49 LOAD: AVG 0.195499 MAX 0.212039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: ============== END OF LOAD BALANCING =============== 6560.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6560.5 PRESSURE: 2048400 -149.614 -17.6824 -227.19 -17.6825 -365.645 -110.271 -227.19 -110.27 -121.346 GPRESSURE: 2048400 -133.974 -147.703 -244.459 4.54548 -322.601 -178.744 -133.069 -21.7532 -87.6206 PRESSAVG: 2048400 28.1805 -26.6238 -0.949526 -26.6237 36.476 -5.35667 -0.949515 -5.35666 -19.8678 GPRESSAVG: 2048400 26.2239 -26.6303 -1.12778 -25.4845 37.7052 -8.40956 0.664082 -5.60413 -18.7172 TIMING: 2048400 CPU: 6548.39, 0.00322285/step Wall: 6548.39, 0.00322285/step, 2.64238 hours remaining, 231.371094 MB of memory in use. ENERGY: 2048400 3935.3755 20640.8867 14521.7591 242.4611 -203250.8430 2636.0239 0.0000 0.0000 52155.2343 -109119.1023 299.7368 -161274.3366 -108754.7845 299.5672 -212.2017 -181.3986 763417.1526 14.9295 15.0706 PRESSURE: 2048600 182.377 -269.86 -130.069 -269.86 -275.477 6.86962 -130.068 6.86987 -214.248 GPRESSURE: 2048600 247.6 -41.7848 -154.596 -191.932 -195.679 -22.7225 -95.9315 -33.3573 -264.011 PRESSAVG: 2048600 -7.20382 -17.7901 -6.19667 -17.7902 -8.16009 14.6044 -6.19667 14.6045 8.53151 GPRESSAVG: 2048600 -5.62248 -19.2931 -5.34535 -19.0869 -8.19731 16.7614 -7.79722 12.2903 7.0838 TIMING: 2048600 CPU: 6549.03, 0.00317337/step Wall: 6549.03, 0.00317337/step, 2.60164 hours remaining, 231.441406 MB of memory in use. ENERGY: 2048600 4120.3626 20797.0838 14474.1953 245.6051 -203389.3004 2667.6726 0.0000 0.0000 51967.4738 -109116.9071 298.6578 -161084.3810 -108769.7402 299.4836 -102.4493 -70.6965 762883.6989 -2.2775 -2.2453 PRESSURE: 2048800 -430.43 225.087 -83.6995 225.086 23.761 23.4161 -83.6991 23.4163 -81.0379 GPRESSURE: 2048800 -347.261 123.455 -5.68902 163.192 1.11514 53.6426 -117.189 28.3742 -64.5343 PRESSAVG: 2048800 -48.0311 29.3706 31.5357 29.3706 -2.76637 -36.1637 31.5357 -36.1636 6.10852 GPRESSAVG: 2048800 -49.9744 31.8921 29.7498 29.2722 -2.40776 -35.7765 31.795 -35.2373 7.10772 TIMING: 2048800 CPU: 6549.66, 0.00316626/step Wall: 6549.66, 0.00316626/step, 2.59563 hours remaining, 231.441406 MB of memory in use. ENERGY: 2048800 4040.4197 20692.1023 14469.4938 263.8114 -203225.8908 2685.9312 0.0000 0.0000 52109.2717 -108964.8606 299.4727 -161074.1323 -108599.7088 299.9606 -162.5689 -136.8932 763711.9727 -14.8963 -15.0915 PRESSURE: 2049000 104.296 -128.492 -148.661 -128.492 -426.67 -0.851095 -148.662 -0.849597 -167.126 GPRESSURE: 2049000 169.404 -111.944 -132.56 -94.9473 -395.535 47.0273 -55.3292 31.06 -193.438 PRESSAVG: 2049000 83.9844 -30.6285 -9.34292 -30.6285 -59.6667 43.4131 -9.34294 43.4131 -0.611033 GPRESSAVG: 2049000 85.3845 -31.8567 -8.86125 -31.202 -60.3833 44.181 -9.84502 45.3374 -1.50113 TIMING: 2049000 CPU: 6550.29, 0.0031626/step Wall: 6550.29, 0.0031626/step, 2.59245 hours remaining, 231.441406 MB of memory in use. ENERGY: 2049000 4073.6652 20626.0900 14459.0947 252.7066 -203503.9657 2636.0399 0.0000 0.0000 52243.3589 -109213.0105 300.2433 -161456.3694 -108842.5449 300.0197 -163.1666 -139.8562 761067.6536 7.9022 7.8334 PRESSURE: 2049200 -31.2209 -4.51114 286.8 -4.51124 -215.051 -100.174 286.8 -100.173 268.134 GPRESSURE: 2049200 1.5701 -28.977 147.673 -29.2708 -103.137 -155.1 163.78 -141.91 224.719 PRESSAVG: 2049200 7.38862 -50.6099 -12.5017 -50.6099 -63.4277 62.0814 -12.5017 62.0814 19.1942 GPRESSAVG: 2049200 6.753 -50.4395 -11.375 -50.3005 -62.3669 60.8949 -12.9957 59.4355 18.0347 TIMING: 2049200 CPU: 6550.92, 0.0031521/step Wall: 6550.92, 0.0031521/step, 2.58367 hours remaining, 231.441406 MB of memory in use. ENERGY: 2049200 3961.2422 20620.4266 14504.0765 258.2932 -203146.7409 2365.4012 0.0000 0.0000 52102.9200 -109334.3812 299.4362 -161437.3012 -108978.2928 299.5142 7.2873 41.0507 761570.0550 -12.2816 -12.5264 PRESSURE: 2049400 387.481 114.432 6.45308 114.432 -298.656 -29.0045 6.45334 -29.0041 -138.695 GPRESSURE: 2049400 449.356 118.476 115.709 47.9048 -191.167 -11.2602 137.501 1.91264 -227.758 PRESSAVG: 2049400 60.6737 -50.1867 -1.94161 -50.1867 -88.1151 32.1703 -1.94162 32.1703 3.16782 GPRESSAVG: 2049400 60.0407 -50.5374 -1.20381 -51.3916 -89.3947 32.991 -0.464666 30.7694 4.82924 TIMING: 2049400 CPU: 6551.55, 0.00314749/step Wall: 6551.55, 0.00314749/step, 2.57972 hours remaining, 231.441406 MB of memory in use. ENERGY: 2049400 3975.3264 20513.2242 14484.3789 238.4400 -203122.8529 2316.8779 0.0000 0.0000 52143.7228 -109450.8828 299.6707 -161594.6056 -109077.8813 299.3477 -16.6232 10.1434 759638.0879 -8.0912 -8.1749 PRESSURE: 2049600 -96.9166 26.2433 -119.873 26.2432 267.357 -75.9366 -119.874 -75.9368 -22.5087 GPRESSURE: 2049600 14.9659 32.1186 -3.07635 35.5347 253.922 -2.77807 -81.2161 60.4598 -36.7176 PRESSAVG: 2049600 38.9537 -0.480717 0.75006 -0.480691 -14.5375 -16.8048 0.750052 -16.8048 -19.7957 GPRESSAVG: 2049600 39.0883 -1.82046 -0.799806 -0.408572 -15.1979 -17.3569 2.20071 -15.3518 -18.9755 TIMING: 2049600 CPU: 6552.18, 0.00314761/step Wall: 6552.18, 0.00314761/step, 2.57964 hours remaining, 231.441406 MB of memory in use. ENERGY: 2049600 3983.8940 20565.0362 14541.9077 241.9394 -203460.8062 2541.0883 0.0000 0.0000 52037.1424 -109549.7982 299.0582 -161586.9406 -109174.4006 299.2510 49.3106 77.3900 760820.8213 1.5402 1.6383 PRESSURE: 2049800 21.7832 -180.618 140.387 -180.618 -59.6987 -47.7513 140.387 -47.7515 335.832 GPRESSURE: 2049800 25.1636 -124.336 -14.9268 -206.21 16.2826 -40.9315 180.037 -23.6097 349.84 PRESSAVG: 2049800 -6.43814 -65.6755 42.5288 -65.6754 -28.2597 45.452 42.5288 45.4519 11.8212 GPRESSAVG: 2049800 -5.75001 -65.4249 43.1609 -64.7963 -27.8451 44.1144 40.2858 45.5424 10.9243 TIMING: 2049800 CPU: 6552.81, 0.00314851/step Wall: 6552.81, 0.00314851/step, 2.5802 hours remaining, 231.441406 MB of memory in use. ENERGY: 2049800 3928.7957 20611.2829 14560.6568 261.4027 -203486.0091 2737.8288 0.0000 0.0000 51986.5579 -109399.4842 298.7675 -161386.0422 -109037.1243 299.0824 99.3057 130.4288 762424.1523 -7.6255 -7.5569 PRESSURE: 2050000 -162.839 -56.6704 -93.6184 -56.6697 67.9843 -108.033 -93.6192 -108.033 419.323 GPRESSURE: 2050000 -74.9029 -38.6282 -70.6469 25.6505 100.045 -109.965 24.896 -105.726 397.457 PRESSAVG: 2050000 47.6263 -51.275 6.07198 -51.2751 -12.4278 -46.3132 6.07206 -46.313 1.00863 GPRESSAVG: 2050000 46.6437 -50.7206 4.31792 -50.6036 -12.3689 -45.2015 9.39594 -45.7816 1.63063 TIMING: 2050000 CPU: 6553.44, 0.00313691/step Wall: 6553.44, 0.00313692/step, 2.57053 hours remaining, 231.441406 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: 2050000 3971.4664 20539.7290 14580.5836 243.6333 -204053.2109 3001.1227 0.0000 0.0000 52450.0213 -109266.6547 301.4310 -161716.6759 -108898.1469 299.5316 108.1563 140.8663 761063.6015 12.0690 11.9685 PRESSURE: 2050200 149.493 53.6883 281.022 53.6879 276.114 -175.677 281.022 -175.677 594.866 GPRESSURE: 2050200 160.291 86.5783 268.708 84.3585 333.666 -164.021 182.54 -74.2415 599.331 PRESSAVG: 2050200 -35.6753 -11.1877 -38.5503 -11.1877 26.1301 37.5769 -38.5503 37.5768 17.1825 GPRESSAVG: 2050200 -36.338 -12.217 -36.1466 -12.5266 26.8123 37.9918 -42.3003 36.7792 17.0022 TIMING: 2050200 CPU: 6554.07, 0.00314092/step Wall: 6554.07, 0.00314092/step, 2.57364 hours remaining, 231.441406 MB of memory in use. ENERGY: 2050200 3954.9256 20587.7509 14532.4398 237.3010 -203926.7880 3155.1463 0.0000 0.0000 51933.1535 -109526.0710 298.4605 -161459.2244 -109164.1352 299.3419 340.1579 364.4295 761643.1098 2.5458 2.4922 PRESSURE: 2050400 84.4866 82.0932 -148.105 82.0925 -283.991 137.075 -148.104 137.075 124.201 GPRESSURE: 2050400 105.875 -5.60997 -174.273 -14.0106 -226.111 143.335 -61.082 91.623 126.219 PRESSAVG: 2050400 -22.6116 -1.41309 23.9638 -1.41303 10.4508 -26.7656 23.9639 -26.7656 -12.3976 GPRESSAVG: 2050400 -22.0403 -2.63531 23.7664 -0.265845 10.1161 -28.1129 23.7511 -27.7844 -12.3168 TIMING: 2050400 CPU: 6554.69, 0.00313236/step Wall: 6554.69, 0.00313236/step, 2.56645 hours remaining, 231.441406 MB of memory in use. ENERGY: 2050400 4012.7620 20437.7272 14531.5978 257.4730 -203396.0002 2618.3276 0.0000 0.0000 51957.4712 -109580.6414 298.6003 -161538.1126 -109217.2243 298.3901 -25.1012 1.9940 763542.0572 -8.1861 -8.0804 PRESSURE: 2050600 -44.2052 -301.975 120.669 -301.976 -284.488 119.332 120.669 119.332 -379.648 GPRESSURE: 2050600 -161.722 -262.632 75.6225 -306.851 -170.268 161.313 116.066 165.936 -315.349 PRESSAVG: 2050600 -30.8191 38.0112 28.4918 38.0111 20.8088 -26.4688 28.4919 -26.4689 -11.7921 GPRESSAVG: 2050600 -31.5655 38.817 27.2188 39.2683 22.2054 -24.9635 32.3398 -26.4567 -13.1609 TIMING: 2050600 CPU: 6555.32, 0.00315382/step Wall: 6555.32, 0.00315382/step, 2.58386 hours remaining, 231.441406 MB of memory in use. ENERGY: 2050600 3996.7222 20528.2414 14510.1343 258.1152 -203461.4285 2639.9534 0.0000 0.0000 52070.4621 -109457.7998 299.2497 -161528.2620 -109091.8479 298.8691 -236.1139 -215.7798 761640.9628 -7.2675 -7.5070 PRESSURE: 2050800 -39.1642 -48.2057 4.98722 -48.2056 -489.232 12.3755 4.98666 12.376 -292.193 GPRESSURE: 2050800 -64.8377 -38.0003 113.07 -104.592 -399.591 -169.958 -94.4418 70.3118 -270.712 PRESSAVG: 2050800 -20.2652 -60.7663 36.8516 -60.7664 25.2654 -46.6928 36.8516 -46.6928 -2.01719 GPRESSAVG: 2050800 -19.208 -59.8142 37.249 -64.3511 24.4465 -48.9154 33.7731 -45.3924 -2.34618 TIMING: 2050800 CPU: 6555.96, 0.00315874/step Wall: 6555.96, 0.00315874/step, 2.58771 hours remaining, 231.441406 MB of memory in use. ENERGY: 2050800 4028.8872 20628.4918 14437.9673 242.1885 -203705.5505 2697.4346 0.0000 0.0000 52032.3296 -109638.2515 299.0305 -161670.5811 -109277.9052 299.3041 -273.5298 -245.0469 762963.4087 0.9943 0.9641 PRESSURE: 2051000 -3.34377 29.4607 -33.7861 29.4606 -77.2597 -161.854 -33.7868 -161.854 220.856 GPRESSURE: 2051000 80.6071 -30.879 -79.0345 103.083 -104.714 -120.977 1.1733 -109.989 256.992 PRESSAVG: 2051000 5.85911 18.0029 -40.5977 18.0029 31.5866 -27.4528 -40.5977 -27.4527 -13.2829 GPRESSAVG: 2051000 5.94854 15.3197 -40.2525 20.8569 29.6859 -25.7913 -40.9445 -28.0173 -11.4843 TIMING: 2051000 CPU: 6556.58, 0.00314326/step Wall: 6556.58, 0.00314326/step, 2.57485 hours remaining, 231.441406 MB of memory in use. ENERGY: 2051000 3973.1653 20444.2059 14520.2279 236.0647 -203808.3320 2946.4391 0.0000 0.0000 52235.4397 -109452.7894 300.1978 -161688.2291 -109088.5837 299.3792 46.7510 77.6286 761675.6166 8.0543 8.0501 PRESSURE: 2051200 -174.464 -45.094 42.9605 -45.0945 -62.9967 276.143 42.9607 276.142 -209.211 GPRESSURE: 2051200 -67.9814 -43.3602 47.5813 -16.2445 -24.7488 330.481 27.6868 181.399 -267.51 PRESSAVG: 2051200 30.3834 -22.8275 -22.293 -22.8276 -20.7293 -6.98313 -22.293 -6.9832 -8.06167 GPRESSAVG: 2051200 30.4066 -19.5164 -23.4606 -24.5608 -19.5972 -6.05271 -21.4989 -8.52307 -8.73107 TIMING: 2051200 CPU: 6557.22, 0.00317716/step Wall: 6557.22, 0.00317716/step, 2.60244 hours remaining, 231.441406 MB of memory in use. ENERGY: 2051200 4000.0046 20522.0337 14501.8749 246.4836 -203381.3629 2465.7253 0.0000 0.0000 52041.5565 -109603.6845 299.0835 -161645.2410 -109234.9384 298.8063 -148.8905 -120.0800 761024.3172 0.5308 0.6928 PRESSURE: 2051400 88.0461 54.2385 -154.672 54.2391 -460.785 -64.4548 -154.671 -64.4551 68.3179 GPRESSURE: 2051400 113.176 17.2429 -76.0289 -23.7233 -402.116 -33.0627 -57.3639 -42.3338 74.9068 PRESSAVG: 2051400 14.6263 -42.4214 -0.597387 -42.4214 -28.7116 -39.7219 -0.597402 -39.7219 -8.81375 GPRESSAVG: 2051400 13.6323 -44.6134 -0.0962329 -40.9711 -28.7878 -41.6759 0.768773 -37.9158 -7.47715 TIMING: 2051400 CPU: 6557.86, 0.0031787/step Wall: 6557.86, 0.0031787/step, 2.60353 hours remaining, 231.441406 MB of memory in use. ENERGY: 2051400 4029.9199 20553.4830 14502.0595 231.6169 -203687.0157 2876.8714 0.0000 0.0000 51994.1801 -109498.8848 298.8113 -161493.0649 -109136.9413 299.1465 -101.4736 -71.3442 762009.5454 -7.6330 -7.5442 PRESSURE: 2051600 401.904 37.2498 143.251 37.2502 39.8706 159.62 143.251 159.621 192.659 GPRESSURE: 2051600 441.634 75.188 120.948 42.3801 -35.0626 117.366 207.123 147.922 291.62 PRESSAVG: 2051600 -14.9553 -52.4376 -42.6023 -52.4376 -35.823 2.69751 -42.6023 2.69747 1.27727 GPRESSAVG: 2051600 -14.6148 -50.9457 -42.8769 -54.2544 -35.963 3.10007 -40.9279 2.30826 1.10794 TIMING: 2051600 CPU: 6558.49, 0.00315342/step Wall: 6558.49, 0.00315342/step, 2.58265 hours remaining, 231.441406 MB of memory in use. ENERGY: 2051600 3960.0910 20623.9582 14497.4713 229.9688 -203743.7844 2854.3770 0.0000 0.0000 52048.8985 -109529.0197 299.1257 -161577.9182 -109167.8259 299.5181 211.4777 232.7302 762785.9898 -16.5003 -16.4900 PRESSURE: 2051800 59.4108 -11.4554 -30.8456 -11.4559 -57.9808 22.9089 -30.8453 22.91 -74.3612 GPRESSURE: 2051800 162.948 -30.8856 -58.9757 46.5858 -35.9784 -23.7184 -66.0677 177.497 -104.122 PRESSAVG: 2051800 22.109 5.52552 -17.3323 5.52558 3.45946 20.4861 -17.3323 20.486 1.39647 GPRESSAVG: 2051800 21.4599 6.89646 -17.836 7.38618 4.89893 20.5591 -21.2104 22.1908 0.770622 TIMING: 2051800 CPU: 6559.12, 0.0031767/step Wall: 6559.12, 0.0031767/step, 2.60154 hours remaining, 231.441406 MB of memory in use. ENERGY: 2051800 3979.8803 20571.2896 14549.0996 235.0012 -203448.4061 2634.1504 0.0000 0.0000 51838.2985 -109640.6866 297.9154 -161478.9851 -109281.1681 298.9483 -24.3104 7.6158 761483.3730 8.9883 9.0431 PRESSURE: 2052000 59.4944 23.2946 26.5255 23.2957 -225.792 -99.2945 26.5258 -99.2946 -233.524 GPRESSURE: 2052000 58.427 97.4845 41.3017 35.169 -135.439 -42.1336 -106.462 -130.529 -223.04 PRESSAVG: 2052000 34.5763 -37.8257 35.6189 -37.8257 -9.68074 10.3344 35.6188 10.3343 18.0141 GPRESSAVG: 2052000 36.5278 -40.1028 35.8111 -38.6856 -11.1385 10.1741 36.47 8.91262 18.1295 TIMING: 2052000 CPU: 6559.76, 0.0031772/step Wall: 6559.76, 0.0031772/step, 2.60177 hours remaining, 231.441406 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: 2052000 3938.1313 20355.6393 14526.1540 263.4330 -203439.9355 2344.0661 0.0000 0.0000 52243.9565 -109768.5554 300.2467 -162012.5119 -109399.0064 298.5845 -133.2738 -100.0174 761257.8896 14.3032 14.5063 PRESSURE: 2052200 -98.3274 -14.7651 -330.121 -14.7657 -192.239 -8.96001 -330.121 -8.96053 -374.687 GPRESSURE: 2052200 -59.2857 62.4603 -193.591 -30.1711 -142.152 -123.499 -300.926 -80.7451 -359.045 PRESSAVG: 2052200 39.5443 -33.8488 9.25648 -33.8489 -63.2812 -56.1942 9.25649 -56.1942 -16.2511 GPRESSAVG: 2052200 37.9826 -32.9945 11.0741 -32.5189 -62.1258 -57.2736 9.64336 -56.7464 -16.0569 TIMING: 2052200 CPU: 6560.39, 0.0031628/step Wall: 6560.39, 0.00316281/step, 2.58981 hours remaining, 231.441406 MB of memory in use. ENERGY: 2052200 4047.3540 20525.0653 14587.5723 260.3803 -203733.0031 2475.1580 0.0000 0.0000 52197.9911 -109639.4822 299.9826 -161837.4734 -109262.9417 299.3284 -221.7513 -186.8275 760376.7173 -13.3293 -13.4000 LDB: ============= START OF LOAD BALANCING ============== 6572.81 LDB: ============== END OF LOAD BALANCING =============== 6572.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6572.81 LDB: ============= START OF LOAD BALANCING ============== 6573.13 LDB: Largest compute 7031 load 0.035934 is 18.4% of average load 0.195450 LDB: Average compute 0.004400 is 2.3% of average load 0.195450 LDB: TIME 6573.14 LOAD: AVG 0.19545 MAX 0.215117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.621 MB LDB: TIME 6573.14 LOAD: AVG 0.19545 MAX 0.215117 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: TIME 6573.14 LOAD: AVG 0.19545 MAX 0.215117 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.625 MB LDB: ============== END OF LOAD BALANCING =============== 6573.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.15 PRESSURE: 2052400 -98.9692 -66.6443 -237.456 -66.6445 -339.199 29.0309 -237.456 29.0317 -89.8732 GPRESSURE: 2052400 -62.0243 -174.641 -252.606 -100.78 -254.286 21.2958 -154.998 2.17436 -118.988 PRESSAVG: 2052400 9.00939 -44.7758 11.7287 -44.7758 -38.0394 -78.797 11.7287 -78.7969 14.6569 GPRESSAVG: 2052400 8.81066 -45.9668 10.6138 -46.7087 -37.8407 -76.6601 11.1709 -79.109 14.4892 TIMING: 2052400 CPU: 6561.04, 0.00325478/step Wall: 6561.04, 0.00325478/step, 2.66494 hours remaining, 233.171875 MB of memory in use. ENERGY: 2052400 4017.5288 20506.0561 14520.3466 248.1019 -203704.6419 2625.4822 0.0000 0.0000 51929.8632 -109857.2631 298.4416 -161787.1263 -109495.4206 298.9372 -176.0139 -145.0992 762049.8243 -4.7910 -4.8469 PRESSURE: 2052600 -273.909 63.3856 -59.2332 63.3844 -209.973 46.8749 -59.2335 46.8753 -272.571 GPRESSURE: 2052600 -220.815 -2.36418 -64.4953 105.905 -156.267 72.466 -100.622 36.0533 -303.753 PRESSAVG: 2052600 -47.0381 -39.526 11.6442 -39.526 8.01283 1.50114 11.6442 1.50125 -15.6438 GPRESSAVG: 2052600 -46.198 -38.0588 11.0108 -38.5997 7.34565 0.114231 11.9825 2.2345 -16.6843 TIMING: 2052600 CPU: 6561.67, 0.00317266/step Wall: 6561.67, 0.00317266/step, 2.59753 hours remaining, 233.632812 MB of memory in use. ENERGY: 2052600 3955.4103 20504.3530 14457.6700 244.2767 -203308.9074 2336.6314 0.0000 0.0000 52035.1573 -109775.4087 299.0468 -161810.5660 -109417.9169 298.7304 -252.1511 -226.9449 760649.5156 -18.2230 -18.5122 PRESSURE: 2052800 7.33795 -28.9352 -77.377 -28.9339 39.9877 6.84891 -77.3762 6.84814 -373.029 GPRESSURE: 2052800 8.55872 -83.127 -76.1556 -46.307 10.4936 52.4006 -61.8233 -24.9992 -279.32 PRESSAVG: 2052800 32.1953 -52.4687 46.777 -52.4688 17.7245 -12.8379 46.777 -12.8379 17.684 GPRESSAVG: 2052800 32.0288 -53.0404 47.7868 -54.3983 17.1846 -10.7082 48.0167 -15.5973 18.2069 TIMING: 2052800 CPU: 6562.3, 0.00313365/step Wall: 6562.3, 0.00313365/step, 2.56542 hours remaining, 233.703125 MB of memory in use. ENERGY: 2052800 4040.4179 20440.5904 14442.7454 240.7220 -203494.1180 2534.7792 0.0000 0.0000 52166.1012 -109628.7619 299.7993 -161794.8631 -109268.0943 298.9096 -108.5677 -86.7559 760979.6970 22.5346 22.4735 PRESSURE: 2053000 185.916 -66.9692 353.007 -66.9691 117.53 -223.026 353.007 -223.026 -108.398 GPRESSURE: 2053000 295.845 -52.4611 350.663 -80.4612 56.9619 -226.06 134.775 -166.561 -72.7383 PRESSAVG: 2053000 40.3331 -68.2599 65.8808 -68.2599 -56.743 -45.77 65.8808 -45.7699 -14.887 GPRESSAVG: 2053000 40.8679 -69.3943 64.08 -67.4795 -57.6846 -45.1716 65.428 -44.9872 -14.481 TIMING: 2053000 CPU: 6562.93, 0.0031603/step Wall: 6562.93, 0.0031603/step, 2.58706 hours remaining, 233.703125 MB of memory in use. ENERGY: 2053000 3937.5554 20383.6391 14416.1614 244.2961 -203069.1876 2339.8743 0.0000 0.0000 52286.4231 -109461.2383 300.4908 -161747.6614 -109095.2721 299.5635 65.0160 93.3561 762219.3095 -10.4323 -10.4326 PRESSURE: 2053200 -186.695 235.285 320.068 235.285 -203.117 -133.381 320.068 -133.382 30.483 GPRESSURE: 2053200 -163.047 119.714 361.106 119.144 -105.784 -142.366 248.161 -80.2221 34.4028 PRESSAVG: 2053200 5.29318 -23.0641 31.7381 -23.0642 -57.1281 27.0619 31.7382 27.0619 -13.8893 GPRESSAVG: 2053200 5.62945 -23.287 31.8235 -21.8886 -56.6388 25.1737 30.5201 29.8325 -14.2609 TIMING: 2053200 CPU: 6563.57, 0.00316684/step Wall: 6563.57, 0.00316684/step, 2.59224 hours remaining, 233.738281 MB of memory in use. ENERGY: 2053200 4028.0760 20545.7569 14413.9691 250.3944 -202965.9454 2335.6573 0.0000 0.0000 52033.4626 -109358.6292 299.0370 -161392.0918 -109006.4564 299.5609 -119.7765 -78.1427 760984.4669 -21.9081 -21.7567 PRESSURE: 2053400 -13.7565 -55.0123 -45.8601 -55.012 -272.3 81.2938 -45.861 81.2936 -98.9242 GPRESSURE: 2053400 13.4947 -259.567 -86.5932 -37.5963 -141.602 77.8326 143.697 -3.10588 -161.474 PRESSAVG: 2053400 24.6561 -49.0383 18.2192 -49.0383 -46.9294 -15.4153 18.2192 -15.4153 5.69569 GPRESSAVG: 2053400 24.326 -50.7823 19.5617 -48.8609 -46.5184 -17.0556 18.0995 -17.7737 5.60268 TIMING: 2053400 CPU: 6564.2, 0.00315759/step Wall: 6564.2, 0.00315759/step, 2.58449 hours remaining, 233.738281 MB of memory in use. ENERGY: 2053400 4010.6848 20768.1639 14515.9302 245.2061 -203181.0809 2239.3067 0.0000 0.0000 52318.8501 -109082.9390 300.6772 -161401.7891 -108730.6014 300.3475 -128.3268 -96.5269 760030.9065 -5.5259 -5.5299 PRESSURE: 2053600 63.0297 -41.4396 74.8896 -41.4386 -115.133 -30.1177 74.8895 -30.1185 41.8979 GPRESSURE: 2053600 148.608 33.0095 83.7588 -6.035 -92.5551 -74.3587 66.9639 -83.8717 17.895 PRESSAVG: 2053600 74.0231 -29.9989 18.2838 -29.9988 -36.5396 -47.0941 18.2838 -47.094 7.61991 GPRESSAVG: 2053600 73.0576 -27.523 15.574 -30.2395 -36.4905 -47.1726 21.3641 -45.7088 8.70675 TIMING: 2053600 CPU: 6564.83, 0.00316183/step Wall: 6564.83, 0.00316183/step, 2.58778 hours remaining, 233.738281 MB of memory in use. ENERGY: 2053600 3996.5126 20498.9917 14533.7550 237.8125 -203478.0493 2602.5058 0.0000 0.0000 52280.8170 -109327.6546 300.4586 -161608.4717 -108965.9951 299.9379 -3.4019 24.6492 761070.2440 15.0345 15.0913 PRESSURE: 2053800 293.704 -185.686 -154.984 -185.685 -2.5703 81.4108 -154.985 81.4112 -31.5961 GPRESSURE: 2053800 359.95 -233.732 -119.243 -91.8811 47.5112 76.2656 -18.9534 146.689 -49.7378 PRESSAVG: 2053800 62.2175 -91.4545 7.62569 -91.4545 -39.3749 -8.70651 7.62569 -8.70653 10.9291 GPRESSAVG: 2053800 62.1922 -92.3922 9.76262 -89.5826 -39.059 -7.98915 6.64696 -8.01217 10.4482 TIMING: 2053800 CPU: 6565.46, 0.00315967/step Wall: 6565.46, 0.00315967/step, 2.58584 hours remaining, 233.738281 MB of memory in use. ENERGY: 2053800 4018.7642 20553.4050 14511.5620 241.8459 -203846.7134 2777.5002 0.0000 0.0000 52309.1284 -109434.5077 300.6213 -161743.6361 -109065.8523 299.9825 86.5125 119.2412 760953.9219 11.2572 11.1938 PRESSURE: 2054000 -88.2889 -89.1211 -319.578 -89.1209 292.569 -162.346 -319.578 -162.346 35.794 GPRESSURE: 2054000 23.1452 -87.9044 -247.094 -250.277 273.527 -84.1439 -303.151 -178.613 4.81246 PRESSAVG: 2054000 29.9562 -57.8724 14.3382 -57.8723 -40.4656 -23.1511 14.3382 -23.1511 2.91869 GPRESSAVG: 2054000 30.5068 -55.2599 14.7354 -62.0501 -40.2671 -23.1546 15.0217 -24.2624 2.14538 TIMING: 2054000 CPU: 6566.1, 0.00316053/step Wall: 6566.1, 0.00316053/step, 2.58636 hours remaining, 233.738281 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: 2054000 3980.0443 20449.0969 14503.8090 271.8997 -203565.3601 2660.8551 0.0000 0.0000 52303.5548 -109396.1002 300.5892 -161699.6550 -109027.9807 300.2917 80.0248 100.4949 761401.4724 -2.5302 -2.5383 PRESSURE: 2054200 129.198 130.686 -123.813 130.686 -37.0626 -156.316 -123.813 -156.315 -225.951 GPRESSURE: 2054200 226.564 171.407 -76.2265 81.6809 -21.3375 -129.291 -101.01 -71.2062 -261.338 PRESSAVG: 2054200 18.6562 -21.1268 22.8559 -21.1269 -10.728 32.0837 22.8559 32.0837 4.88124 GPRESSAVG: 2054200 19.7885 -23.1231 21.8236 -17.9641 -11.3766 31.6149 20.328 31.9916 4.60808 TIMING: 2054200 CPU: 6566.73, 0.0031523/step Wall: 6566.73, 0.0031523/step, 2.57946 hours remaining, 233.738281 MB of memory in use. ENERGY: 2054200 3972.9125 20523.9489 14476.8184 253.4844 -203838.0519 2934.1405 0.0000 0.0000 52303.5917 -109373.1555 300.5895 -161676.7472 -109017.2880 299.5067 -44.6053 -18.7040 763568.0771 4.2698 4.3400 PRESSURE: 2054400 -395.928 -154.794 133.048 -154.794 140.219 -93.9377 133.048 -93.9369 199.007 GPRESSURE: 2054400 -316.779 -59.3952 86.3416 -151.429 170.478 -106.704 204.529 -42.3999 165.006 PRESSAVG: 2054400 51.9482 -3.16847 11.9794 -3.16862 -57.6598 15.8883 11.9794 15.8883 21.3131 GPRESSAVG: 2054400 50.5649 -3.84197 12.4841 -1.42682 -55.5639 16.6411 13.2655 18.3853 20.3891 TIMING: 2054400 CPU: 6567.36, 0.00314803/step Wall: 6567.36, 0.00314803/step, 2.57579 hours remaining, 233.738281 MB of memory in use. ENERGY: 2054400 4071.9020 20521.3954 14484.0907 268.8545 -203625.4493 2714.1253 0.0000 0.0000 52052.3005 -109512.7809 299.1453 -161565.0814 -109157.8449 299.1989 -18.9005 6.2351 763202.2577 5.2005 5.1300 PRESSURE: 2054600 47.2094 78.2511 154.989 78.2509 21.1366 60.4367 154.988 60.438 67.7498 GPRESSURE: 2054600 101.25 -23.9987 138.186 56.78 18.2518 -9.54634 104.488 18.0849 103.249 PRESSAVG: 2054600 15.5679 -38.2699 2.56184 -38.2699 -8.73714 -10.1769 2.5618 -10.1769 4.03782 GPRESSAVG: 2054600 16.6847 -37.2475 2.91348 -39.0329 -9.32082 -10.5858 2.22095 -12.3311 4.24954 TIMING: 2054600 CPU: 6567.99, 0.00315664/step Wall: 6567.99, 0.00315664/step, 2.58266 hours remaining, 233.738281 MB of memory in use. ENERGY: 2054600 3913.3234 20625.8320 14527.7664 251.7518 -203368.0296 2561.1348 0.0000 0.0000 51948.4638 -109539.7574 298.5485 -161488.2212 -109168.2085 299.2046 45.3653 74.2501 761887.8945 3.6229 3.8712 PRESSURE: 2054800 4.49238 -77.0001 -108.993 -77.0008 83.4483 -330.809 -108.993 -330.81 -52.1406 GPRESSURE: 2054800 72.8259 49.766 -98.2909 -74.739 120.624 -296.811 -194.944 -241.953 -74.6983 PRESSAVG: 2054800 -49.079 -83.0895 -55.4567 -83.0895 18.8821 -47.0815 -55.4567 -47.0814 -21.0101 GPRESSAVG: 2054800 -49.5539 -82.9856 -56.2938 -83.8616 18.8384 -46.0808 -55.6227 -46.7474 -20.0218 TIMING: 2054800 CPU: 6568.62, 0.00316444/step Wall: 6568.62, 0.00316444/step, 2.58886 hours remaining, 233.738281 MB of memory in use. ENERGY: 2054800 3927.7512 20349.4576 14563.8691 241.3864 -203659.1946 2776.1190 0.0000 0.0000 52114.0311 -109686.5802 299.5001 -161800.6113 -109330.8105 299.2385 11.9334 39.5838 760800.9958 -17.0690 -16.9124 PRESSURE: 2055000 -9.69978 284.89 105.494 284.89 -34.989 -111.187 105.494 -111.188 2.25955 GPRESSURE: 2055000 63.4753 273.885 72.6209 229.997 -66.044 -140.41 224.539 -4.85971 40.9587 PRESSAVG: 2055000 31.1606 35.5593 -34.1831 35.5592 25.781 6.32209 -34.183 6.32213 2.28309 GPRESSAVG: 2055000 30.9439 35.1968 -32.6021 33.9778 25.3216 5.61028 -34.8487 6.81259 3.00216 TIMING: 2055000 CPU: 6569.25, 0.0031624/step Wall: 6569.25, 0.0031624/step, 2.58702 hours remaining, 233.738281 MB of memory in use. ENERGY: 2055000 3940.6139 20407.9893 14558.9496 241.6133 -203289.0117 2339.0473 0.0000 0.0000 52118.9614 -109681.8368 299.5284 -161800.7982 -109312.1346 298.9175 -14.1431 12.7966 760063.8275 19.7416 19.7559 PRESSURE: 2055200 -96.0835 -66.3961 -176.819 -66.3968 -75.4724 11.2865 -176.819 11.2856 113.817 GPRESSURE: 2055200 -115.031 3.81866 -247.498 -10.1333 -26.014 49.5057 -227.994 26.6486 147.541 PRESSAVG: 2055200 13.3997 0.861389 -42.8662 0.861392 -37.8353 -12.2086 -42.8662 -12.2086 9.46777 GPRESSAVG: 2055200 13.348 1.31864 -43.7634 1.06097 -38.1218 -12.8805 -42.3653 -13.0125 9.22073 TIMING: 2055200 CPU: 6569.88, 0.00315825/step Wall: 6569.88, 0.00315825/step, 2.58345 hours remaining, 233.738281 MB of memory in use. ENERGY: 2055200 4035.5142 20515.3165 14468.3801 260.8650 -203255.2374 2533.1296 0.0000 0.0000 51969.4118 -109472.6201 298.6689 -161442.0320 -109118.3855 299.2065 -19.2462 2.1653 761881.5766 -4.9893 -5.1844 PRESSURE: 2055400 82.8653 -100.995 -195.361 -100.994 -18.1875 -98.9051 -195.362 -98.9051 44.4949 GPRESSURE: 2055400 125.95 -92.3268 -253.789 -153.145 -30.0368 -88.8522 -206.595 12.4057 80.1778 PRESSAVG: 2055400 -13.9316 -28.1582 -46.2143 -28.1582 -13.0779 -12.224 -46.2144 -12.224 30.6322 GPRESSAVG: 2055400 -14.1642 -27.6299 -46.6406 -28.9423 -14.0026 -11.5767 -46.3708 -12.2766 31.1874 TIMING: 2055400 CPU: 6570.51, 0.00315379/step Wall: 6570.51, 0.00315379/step, 2.57962 hours remaining, 233.738281 MB of memory in use. ENERGY: 2055400 4009.2169 20460.3482 14455.6136 231.2884 -203390.7513 2515.7516 0.0000 0.0000 52249.9958 -109468.5367 300.2814 -161718.5325 -109103.7499 299.2205 36.3909 58.6971 762326.2033 1.2076 1.0069 PRESSURE: 2055600 247.414 35.0175 59.4901 35.0175 149.866 204.3 59.4902 204.301 287.244 GPRESSURE: 2055600 294.953 92.5915 57.4298 114 179.432 134.841 76.5853 38.0849 290.623 PRESSAVG: 2055600 15.1992 -0.518164 -34.8858 -0.518146 -12.6277 3.30666 -34.8859 3.30662 25.532 GPRESSAVG: 2055600 15.0472 -3.90174 -33.2804 1.29227 -11.7763 3.65963 -33.5802 2.2204 25.1671 TIMING: 2055600 CPU: 6571.15, 0.00316954/step Wall: 6571.15, 0.00316954/step, 2.59233 hours remaining, 233.738281 MB of memory in use. ENERGY: 2055600 3927.5116 20513.7851 14465.7464 241.0471 -203884.1426 2734.1234 0.0000 0.0000 52388.6976 -109613.2315 301.0786 -162001.9291 -109243.8442 299.3583 228.1747 255.0027 759952.3921 9.3678 9.4794 PRESSURE: 2055800 -428.006 0.972647 -32.0687 0.974072 -481.357 -1.26816 -32.0694 -1.26798 -338.922 GPRESSURE: 2055800 -332.951 -123.43 -61.9632 13.3933 -495.041 -147.389 -73.7823 103.877 -337.127 PRESSAVG: 2055800 46.189 -25.3778 -39.359 -25.3778 -20.4431 -9.94279 -39.359 -9.94272 -1.72025 GPRESSAVG: 2055800 46.9588 -25.4405 -39.364 -24.9651 -21.4135 -12.0338 -41.2363 -8.90773 -1.98185 TIMING: 2055800 CPU: 6571.78, 0.0031527/step Wall: 6571.78, 0.0031527/step, 2.57838 hours remaining, 233.738281 MB of memory in use. ENERGY: 2055800 3969.1556 20682.9903 14448.4922 262.2753 -203456.7780 2485.4828 0.0000 0.0000 51976.1399 -109632.2419 298.7076 -161608.3818 -109267.6859 298.5806 -416.0950 -388.3729 763463.4991 8.0086 7.8545 PRESSURE: 2056000 76.2129 5.74099 100.528 5.74053 121.619 116.33 100.528 116.328 47.8205 GPRESSURE: 2056000 113.143 81.507 197.169 -14.7491 122.354 300.543 218.076 24.9911 100.357 PRESSAVG: 2056000 -18.1495 -32.928 23.8298 -32.928 -33.1082 15.6466 23.8298 15.6466 -1.8021 GPRESSAVG: 2056000 -18.2927 -31.6268 23.7061 -35.3576 -32.998 17.9587 24.8582 16.5057 -2.33373 TIMING: 2056000 CPU: 6572.41, 0.00315606/step Wall: 6572.41, 0.00315606/step, 2.58095 hours remaining, 233.738281 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: 2056000 4042.2267 20553.4216 14441.4508 232.9574 -203334.7733 2535.7313 0.0000 0.0000 52023.2467 -109505.7389 298.9783 -161528.9856 -109137.9060 298.9332 81.8842 111.9513 762045.4659 -17.6866 -17.8748 PRESSURE: 2056200 25.4271 5.6904 -7.51838 5.69165 97.5428 -37.4838 -7.51876 -37.4846 -181.602 GPRESSURE: 2056200 15.8355 -78.2105 -23.6482 60.2561 131.922 50.4348 -10.9026 -116.987 -121.918 PRESSAVG: 2056200 2.19314 -18.4435 52.921 -18.4435 12.1817 13.1819 52.921 13.182 9.38738 GPRESSAVG: 2056200 0.640724 -17.9991 51.0736 -16.5756 12.6838 11.5389 54.3566 12.2112 10.6183 TIMING: 2056200 CPU: 6573.04, 0.00315585/step Wall: 6573.04, 0.00315585/step, 2.58061 hours remaining, 233.792969 MB of memory in use. ENERGY: 2056200 3995.9439 20403.3080 14410.5708 252.9420 -203295.1758 2405.4570 0.0000 0.0000 52277.3544 -109549.5997 300.4387 -161826.9541 -109178.8241 299.0870 -19.5440 8.6134 761688.0172 7.9207 7.9809 LDB: ============= START OF LOAD BALANCING ============== 6585.46 LDB: ============== END OF LOAD BALANCING =============== 6585.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6585.46 LDB: ============= START OF LOAD BALANCING ============== 6585.78 LDB: Largest compute 7033 load 0.036851 is 18.9% of average load 0.195454 LDB: Average compute 0.004394 is 2.2% of average load 0.195454 LDB: TIME 6585.78 LOAD: AVG 0.195454 MAX 0.215452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.047 MB LDB: TIME 6585.78 LOAD: AVG 0.195454 MAX 0.215452 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.141 MB LDB: TIME 6585.78 LOAD: AVG 0.195454 MAX 0.215452 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.141 MB LDB: ============== END OF LOAD BALANCING =============== 6585.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6585.79 PRESSURE: 2056400 35.0189 163.012 150.026 163.012 -146.675 -58.257 150.027 -58.2566 -187.17 GPRESSURE: 2056400 79.0969 167.267 98.2716 228.602 -120.669 49.3027 54.9923 19.5846 -167.525 PRESSAVG: 2056400 33.561 33.6289 19.1464 33.629 -3.0428 0.460427 19.1464 0.460441 -12.641 GPRESSAVG: 2056400 33.5509 33.1807 18.7233 32.713 -2.70914 2.22244 18.8028 1.324 -13.1383 TIMING: 2056400 CPU: 6573.68, 0.00321232/step Wall: 6573.68, 0.00321232/step, 2.62661 hours remaining, 231.722656 MB of memory in use. ENERGY: 2056400 4043.7478 20425.8761 14386.3656 251.1221 -203748.8053 2893.5233 0.0000 0.0000 52383.3720 -109364.7985 301.0480 -161748.1704 -109019.0927 299.2244 -99.6087 -69.6992 761294.5068 5.9590 5.9012 PRESSURE: 2056600 -101.903 -173.968 69.4949 -173.968 88.9525 -74.1212 69.495 -74.1212 310.818 GPRESSURE: 2056600 -65.5295 -208.549 -11.0477 -165.476 127.773 -147.431 37.9047 -23.1835 317.738 PRESSAVG: 2056600 36.2866 -47.6612 13.4053 -47.6612 -72.946 26.9405 13.4053 26.9405 -2.53111 GPRESSAVG: 2056600 36.3305 -46.9552 14.8863 -48.1975 -73.9578 26.5651 13.2486 28.6973 -1.79176 TIMING: 2056600 CPU: 6574.31, 0.00313939/step Wall: 6574.31, 0.00313939/step, 2.5668 hours remaining, 231.921875 MB of memory in use. ENERGY: 2056600 3919.8964 20478.7836 14527.9146 253.5300 -203574.4040 2777.5919 0.0000 0.0000 52216.7453 -109399.9421 300.0904 -161616.6874 -109031.7928 299.0408 99.2892 126.6605 761644.7271 -13.0635 -13.1397 PRESSURE: 2056800 -129.223 -24.5132 142.436 -24.5126 -395.981 112.341 142.436 112.341 276.833 GPRESSURE: 2056800 -89.9644 13.8575 188.366 -39.5995 -316.756 180.149 -68.1594 -170.153 234.233 PRESSAVG: 2056800 28.1276 -28.3875 25.1732 -28.3875 -53.508 0.897213 25.1732 0.897224 1.80601 GPRESSAVG: 2056800 29.2507 -29.4331 25.1029 -26.7482 -52.916 0.250878 23.7166 -2.19957 -0.467638 TIMING: 2056800 CPU: 6574.94, 0.00315145/step Wall: 6574.94, 0.00315145/step, 2.57649 hours remaining, 231.921875 MB of memory in use. ENERGY: 2056800 4012.5248 20311.7529 14422.5183 255.6709 -203773.0168 2947.1146 0.0000 0.0000 52292.3454 -109531.0899 300.5248 -161823.4353 -109166.5190 299.4031 -82.7901 -57.4957 760418.6967 -7.8582 -8.0443 PRESSURE: 2057000 232.913 78.8964 -173.085 78.8953 -54.4818 20.9206 -173.085 20.9217 507.037 GPRESSURE: 2057000 276.73 -7.68313 -96.5767 5.43953 11.3141 69.1049 -237.073 -52.131 485.373 PRESSAVG: 2057000 45.6114 -60.4784 -16.8368 -60.4784 -31.7018 14.5398 -16.8369 14.5399 -6.18616 GPRESSAVG: 2057000 44.9061 -61.5645 -17.8175 -61.4728 -32.4128 13.9498 -16.5049 14.5745 -4.95887 TIMING: 2057000 CPU: 6575.57, 0.00313816/step Wall: 6575.57, 0.00313816/step, 2.56545 hours remaining, 231.921875 MB of memory in use. ENERGY: 2057000 3869.9151 20373.4956 14538.1761 250.4436 -203251.5521 2713.2837 0.0000 0.0000 52032.4506 -109473.7874 299.0312 -161506.2379 -109110.8528 299.0188 228.4895 257.8056 760067.3054 2.5745 2.5115 PRESSURE: 2057200 211.596 32.3956 -47.0383 32.3958 385.811 86.475 -47.0387 86.4755 538.612 GPRESSURE: 2057200 188.413 60.6626 -33.1661 -64.7636 440.597 81.6102 -38.1352 -30.1927 587.535 PRESSAVG: 2057200 18.5572 -23.6628 18.8111 -23.6627 10.6212 -6.35894 18.8112 -6.35901 5.03916 GPRESSAVG: 2057200 17.7717 -22.3452 20.607 -25.0109 11.7134 -7.1435 19.1277 -6.07083 6.06397 TIMING: 2057200 CPU: 6576.2, 0.00314022/step Wall: 6576.2, 0.00314022/step, 2.56696 hours remaining, 231.921875 MB of memory in use. ENERGY: 2057200 3878.5480 20545.8285 14518.2114 247.2132 -203902.4858 3086.7825 0.0000 0.0000 52205.5169 -109420.3854 300.0258 -161625.9022 -109065.4743 299.8396 378.6729 405.5153 759194.8051 11.4059 11.8497 PRESSURE: 2057400 -155.988 -33.6341 -45.1167 -33.6341 -75.0389 96.5431 -45.117 96.5418 351.283 GPRESSURE: 2057400 -88.9949 -37.6128 -44.0598 -46.4579 -18.603 101.299 31.2974 83.1261 306.427 PRESSAVG: 2057400 8.35864 -1.29757 7.6498 -1.29755 8.842 9.78843 7.64982 9.7884 6.49024 GPRESSAVG: 2057400 10.191 -2.7653 8.23535 0.0457121 7.10469 12.0717 5.97708 8.62082 6.39451 TIMING: 2057400 CPU: 6576.83, 0.00314089/step Wall: 6576.83, 0.00314089/step, 2.56732 hours remaining, 231.921875 MB of memory in use. ENERGY: 2057400 4016.5245 20355.1365 14540.4366 235.4048 -203408.4101 2730.3052 0.0000 0.0000 52091.4161 -109439.1864 299.3701 -161530.6025 -109076.6516 299.1693 40.0851 66.2764 760637.6405 7.8970 7.8967 PRESSURE: 2057600 -283.523 -98.477 269.338 -98.477 -495.777 -275.499 269.338 -275.499 -407.596 GPRESSURE: 2057600 -221.437 -188.223 219.849 -18.7773 -465.25 -285.905 221.962 -203.022 -427.135 PRESSAVG: 2057600 22.6546 14.4129 55.364 14.413 9.37431 -24.7119 55.364 -24.7119 -2.83026 GPRESSAVG: 2057600 22.5156 15.7054 53.4311 14.6824 9.96298 -25.7308 58.4112 -24.0731 -2.85211 TIMING: 2057600 CPU: 6577.45, 0.00313004/step Wall: 6577.45, 0.00313004/step, 2.55828 hours remaining, 231.921875 MB of memory in use. ENERGY: 2057600 4046.4884 20545.3086 14512.2477 241.6750 -203295.4304 2540.4579 0.0000 0.0000 52039.1759 -109370.0770 299.0699 -161409.2529 -109017.3425 299.1202 -395.6318 -371.2740 761351.4207 9.7329 9.8755 PRESSURE: 2057800 160.489 -57.3039 18.4592 -57.3035 -21.8622 81.2438 18.4594 81.2436 94.2127 GPRESSURE: 2057800 175.288 -29.1217 53.634 -3.0276 -59.8677 52.6829 9.14672 43.4187 190.771 PRESSAVG: 2057800 2.28035 -7.62364 56.3113 -7.62363 22.5549 -16.3813 56.3113 -16.3813 10.6256 GPRESSAVG: 2057800 2.15806 -7.27329 55.3866 -8.05899 22.6086 -16.2918 56.6507 -18.0955 10.541 TIMING: 2057800 CPU: 6578.08, 0.00313948/step Wall: 6578.08, 0.00313948/step, 2.56583 hours remaining, 231.921875 MB of memory in use. ENERGY: 2057800 3950.4513 20272.6496 14535.1310 258.9660 -203324.8873 2953.0173 0.0000 0.0000 52026.1294 -109328.5427 298.9949 -161354.6721 -108965.7582 299.3344 77.6133 102.0636 761141.1264 11.8203 11.7692 PRESSURE: 2058000 -386.274 21.5512 -14.7239 21.5505 -87.6275 -105.249 -14.7238 -105.25 -139.427 GPRESSURE: 2058000 -353.118 10.0455 -20.0981 -34.2027 -27.1648 -31.7608 -0.295255 -6.19147 -158.473 PRESSAVG: 2058000 24.2541 5.23563 52.7581 5.23564 -74.4739 29.5166 52.7582 29.5167 -12.2558 GPRESSAVG: 2058000 24.0878 3.96315 53.7525 5.17195 -74.2275 27.9961 51.9108 32.7585 -13.3419 TIMING: 2058000 CPU: 6578.71, 0.00315968/step Wall: 6578.71, 0.00315968/step, 2.58216 hours remaining, 231.921875 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: 2058000 4064.4699 20611.3294 14502.7319 254.4147 -203333.5161 2348.3803 0.0000 0.0000 52215.0017 -109337.1882 300.0803 -161552.1899 -108984.4609 299.6137 -204.4428 -179.5852 759035.0112 -20.8252 -21.1605 PRESSURE: 2058200 -4.56771 288.292 36.8436 288.292 -174.502 146.394 36.8432 146.394 -240.478 GPRESSURE: 2058200 23.3088 89.5186 52.2786 151.225 -26.193 131.983 15.882 16.8781 -323.206 PRESSAVG: 2058200 7.005 1.17251 66.939 1.17244 11.2047 20.3263 66.939 20.3263 16.883 GPRESSAVG: 2058200 6.75306 0.436861 67.1384 -0.0769695 11.5455 22.9101 66.4519 19.2621 17.0593 TIMING: 2058200 CPU: 6579.34, 0.0031553/step Wall: 6579.34, 0.0031553/step, 2.5784 hours remaining, 231.921875 MB of memory in use. ENERGY: 2058200 3968.0116 20391.3889 14427.2126 231.3255 -202730.7961 2341.5191 0.0000 0.0000 51816.8116 -109554.5269 297.7919 -161371.3385 -109196.1432 299.2981 -139.8491 -108.6967 762097.4600 11.6976 11.7859 PRESSURE: 2058400 -217.341 -162.443 -10.9088 -162.442 -40.8673 17.0391 -10.9095 17.0405 35.8704 GPRESSURE: 2058400 -90.0713 -131.917 7.76811 -203.713 -63.8271 65.1158 21.5601 61.1098 22.2718 PRESSAVG: 2058400 30.0135 39.6242 -14.6482 39.6242 -81.7492 36.617 -14.6482 36.617 1.12824 GPRESSAVG: 2058400 29.1257 41.3663 -14.2852 40.2349 -81.0113 34.5709 -15.3636 37.5239 0.856704 TIMING: 2058400 CPU: 6579.97, 0.0031498/step Wall: 6579.97, 0.0031498/step, 2.57374 hours remaining, 231.921875 MB of memory in use. ENERGY: 2058400 3928.5122 20288.2575 14494.0696 237.2255 -202958.6683 2424.3655 0.0000 0.0000 52146.9500 -109439.2880 299.6892 -161586.2380 -109068.1040 299.0828 -74.1127 -43.8756 762208.8858 -16.8691 -17.0096 PRESSURE: 2058600 187.27 -217.813 -97.6526 -217.813 -234.828 190.977 -97.6526 190.978 202.344 GPRESSURE: 2058600 233.556 -208.749 -198.098 -243.377 -164.513 149.6 153.964 161.942 160.734 PRESSAVG: 2058600 3.16307 -22.4292 27.9456 -22.4292 -35.798 10.193 27.9456 10.193 16.1107 GPRESSAVG: 2058600 3.2361 -24.1603 27.5004 -21.8857 -36.2927 10.46 28.1059 12.0238 16.3728 TIMING: 2058600 CPU: 6580.6, 0.00316254/step Wall: 6580.6, 0.00316254/step, 2.58397 hours remaining, 231.921875 MB of memory in use. ENERGY: 2058600 4005.7773 20497.6902 14439.7636 258.8683 -203006.0052 2714.5684 0.0000 0.0000 51868.3656 -109220.9718 298.0882 -161089.3374 -108861.8614 299.2535 51.5953 76.5923 760511.6181 -5.5081 -5.5613 PRESSURE: 2058800 278.156 168.353 -39.7422 168.353 -84.8809 -16.4478 -39.7425 -16.4472 264.36 GPRESSURE: 2058800 213.626 184.317 11.7705 101.206 -4.06674 -148.065 -33.3383 -36.1934 337.917 PRESSAVG: 2058800 48.0263 39.5882 -2.7301 39.5882 -70.5841 -22.6987 -2.73009 -22.6987 43.081 GPRESSAVG: 2058800 46.5942 44.181 -2.54208 37.1697 -68.7586 -23.5646 -2.31147 -24.8417 42.8196 TIMING: 2058800 CPU: 6581.24, 0.00317702/step Wall: 6581.24, 0.00317702/step, 2.59562 hours remaining, 231.921875 MB of memory in use. ENERGY: 2058800 3913.1002 20239.6108 14586.7298 222.6130 -203488.8215 2746.8588 0.0000 0.0000 52203.6313 -109576.2777 300.0150 -161779.9090 -109210.3371 299.2882 152.5448 182.4921 761863.6329 6.8411 6.8851 PRESSURE: 2059000 -34.3301 -128.365 28.4291 -128.366 -65.8638 -176.486 28.4291 -176.486 -449.576 GPRESSURE: 2059000 47.8525 -194.212 -27.5236 -95.5926 -156.718 -186.14 -196.904 -134.313 -360.704 PRESSAVG: 2059000 26.9242 -2.70984 33.6973 -2.70987 -0.816354 -46.9776 33.6973 -46.9776 -5.46766 GPRESSAVG: 2059000 29.0124 -5.77922 32.4893 -0.0388989 -2.9161 -44.9372 33.47 -45.1185 -6.07137 TIMING: 2059000 CPU: 6581.88, 0.00318333/step Wall: 6581.88, 0.00318333/step, 2.6006 hours remaining, 231.921875 MB of memory in use. ENERGY: 2059000 4014.6679 20470.2794 14457.5320 224.9231 -203035.0494 2364.8399 0.0000 0.0000 51899.1830 -109603.6242 298.2653 -161502.8072 -109238.4903 298.8242 -183.2565 -156.5230 762570.8911 6.8800 6.6750 PRESSURE: 2059200 189.262 112.941 -18.5174 112.942 231.363 -103.643 -18.5173 -103.643 350.449 GPRESSURE: 2059200 238.38 79.0825 -13.7831 -27.7788 257.859 -84.607 -36.3328 -76.0876 352.016 PRESSAVG: 2059200 7.69947 -30.9465 10.5629 -30.9465 -6.35541 -11.3901 10.5629 -11.3901 6.26129 GPRESSAVG: 2059200 6.77603 -30.6766 12.7319 -32.0842 -6.91526 -12.6829 8.77365 -12.5847 7.96464 TIMING: 2059200 CPU: 6582.51, 0.00315441/step Wall: 6582.51, 0.00315441/step, 2.5768 hours remaining, 231.921875 MB of memory in use. ENERGY: 2059200 3960.1972 20519.0861 14437.8414 220.9079 -203654.8154 2858.5812 0.0000 0.0000 52194.7037 -109463.4979 299.9637 -161658.2016 -109110.6964 299.4512 257.0247 282.7515 759230.3002 2.5351 2.6085 PRESSURE: 2059400 -194.151 19.9436 398.707 19.9443 128.026 -182.972 398.707 -182.972 396.919 GPRESSURE: 2059400 -136.57 120.09 427.45 -20.7429 141.17 -172.215 424.83 -218.669 415.166 PRESSAVG: 2059400 35.3757 -11.9284 6.02563 -11.9284 -14.6044 -70.9507 6.02566 -70.9506 43.3923 GPRESSAVG: 2059400 34.9971 -11.7746 4.1328 -11.0918 -13.8545 -67.8265 8.79823 -71.4814 43.2899 TIMING: 2059400 CPU: 6583.14, 0.00315405/step Wall: 6583.14, 0.00315405/step, 2.57633 hours remaining, 231.921875 MB of memory in use. ENERGY: 2059400 3949.9937 20610.0238 14476.3627 241.5117 -203406.0374 2775.4239 0.0000 0.0000 51898.5780 -109454.1435 298.2618 -161352.7215 -109101.4882 298.9805 110.2647 139.9222 759906.6129 21.3879 21.4775 PRESSURE: 2059600 -248.671 52.1568 -65.4019 52.157 -397.959 -30.522 -65.4014 -30.5222 -144.045 GPRESSURE: 2059600 -321.019 -17.0973 -64.6355 5.88559 -328.654 -37.0445 -118.705 -28.0511 -81.9506 PRESSAVG: 2059600 50.7208 -31.0203 23.3733 -31.0203 -28.841 -8.19323 23.3733 -8.19313 -17.8435 GPRESSAVG: 2059600 50.1462 -29.2072 24.2296 -33.2249 -27.4288 -10.1994 20.5332 -7.22153 -18.1539 TIMING: 2059600 CPU: 6583.77, 0.00315131/step Wall: 6583.77, 0.00315131/step, 2.57392 hours remaining, 231.921875 MB of memory in use. ENERGY: 2059600 4020.0325 20428.0747 14504.5275 245.9267 -202974.9071 2131.3627 0.0000 0.0000 52092.8589 -109552.1240 299.3784 -161644.9830 -109190.7039 298.9690 -263.5584 -243.8743 761700.0987 1.3454 1.5212 PRESSURE: 2059800 -187.85 -233.246 -63.1525 -233.246 249.691 -192.585 -63.1529 -192.584 230.997 GPRESSURE: 2059800 43.7706 -329.182 -60.3887 -217.406 213.645 -126.419 52.9867 -85.4832 153.236 PRESSAVG: 2059800 2.11524 -11.1949 10.1464 -11.1949 -14.5275 -3.12202 10.1464 -3.122 -13.2559 GPRESSAVG: 2059800 4.5272 -14.0228 10.1514 -9.08908 -15.9212 -3.30507 12.0776 -1.82402 -14.3128 TIMING: 2059800 CPU: 6584.4, 0.00314396/step Wall: 6584.4, 0.00314396/step, 2.56774 hours remaining, 231.921875 MB of memory in use. ENERGY: 2059800 3977.6097 20531.1229 14468.5418 237.2376 -203658.5527 2912.2896 0.0000 0.0000 52183.4241 -109348.3270 299.8989 -161531.7511 -108983.9853 299.3639 97.6128 136.8839 761991.0050 -8.5560 -8.5689 PRESSURE: 2060000 -260.311 13.8985 -98.9457 13.8993 -30.2818 148.607 -98.9458 148.605 167.379 GPRESSURE: 2060000 -124.031 -70.8773 -193.248 -29.085 -63.3273 41.8327 -40.3576 123.646 144.921 PRESSAVG: 2060000 22.2943 1.15031 -16.8559 1.15031 -13.0726 -40.2113 -16.8559 -40.2113 -6.37272 GPRESSAVG: 2060000 21.0518 1.90554 -16.8354 -0.897014 -12.6609 -41.7258 -17.5875 -42.0741 -5.68725 TIMING: 2060000 CPU: 6585.03, 0.00316053/step Wall: 6585.03, 0.00316053/step, 2.5811 hours remaining, 231.921875 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: 2060000 4049.1484 20408.8414 14529.3045 240.8760 -203248.7717 2420.2377 0.0000 0.0000 52189.9017 -109410.4620 299.9361 -161600.3637 -109056.9015 299.5006 -41.0714 -14.1460 759921.2265 0.9497 0.9012 PRESSURE: 2060200 17.548 -13.4176 83.072 -13.4174 -324.293 -306.9 83.0718 -306.9 -275.511 GPRESSURE: 2060200 85.8114 44.4511 110.051 25.6504 -227.738 -276.902 102.801 -276.529 -355.085 PRESSAVG: 2060200 23.5556 -106.658 -4.47419 -106.658 25.0623 -60.0058 -4.47423 -60.0059 -1.03056 GPRESSAVG: 2060200 22.1819 -106.594 -4.13505 -105.827 25.7686 -58.7632 -4.79899 -59.6849 -0.514132 TIMING: 2060200 CPU: 6585.66, 0.00315743/step Wall: 6585.66, 0.00315743/step, 2.5784 hours remaining, 231.921875 MB of memory in use. ENERGY: 2060200 3941.7166 20568.2015 14471.4997 250.1540 -203269.8863 2201.3508 0.0000 0.0000 52310.5523 -109526.4116 300.6295 -161836.9639 -109170.1081 299.6794 -194.0853 -165.6702 760252.9699 15.8625 15.8121 LDB: ============= START OF LOAD BALANCING ============== 6598.08 LDB: ============== END OF LOAD BALANCING =============== 6598.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6598.09 LDB: ============= START OF LOAD BALANCING ============== 6598.4 LDB: Largest compute 7031 load 0.035054 is 17.9% of average load 0.195530 LDB: Average compute 0.004385 is 2.2% of average load 0.195530 LDB: TIME 6598.41 LOAD: AVG 0.19553 MAX 0.212841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.98 MB LDB: TIME 6598.41 LOAD: AVG 0.19553 MAX 0.212841 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.145 MB LDB: TIME 6598.41 LOAD: AVG 0.19553 MAX 0.212841 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.145 MB LDB: ============== END OF LOAD BALANCING =============== 6598.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6598.41 PRESSURE: 2060400 77.5583 42.0235 247.153 42.0239 -278.401 -208.313 247.152 -208.312 429.303 GPRESSURE: 2060400 85.8306 -43.0289 213.897 -61.3551 -190.855 -203.125 193.916 -183.875 415.291 PRESSAVG: 2060400 37.1914 -84.8374 13.4093 -84.8374 -30.2997 7.62823 13.4093 7.62823 0.988006 GPRESSAVG: 2060400 39.1347 -82.9591 13.413 -83.0057 -31.9697 7.58786 12.3621 9.8667 0.421602 TIMING: 2060400 CPU: 6586.31, 0.0032266/step Wall: 6586.31, 0.0032266/step, 2.63469 hours remaining, 231.656250 MB of memory in use. ENERGY: 2060400 3967.7388 20308.5130 14552.1726 258.6730 -203352.7927 2571.8834 0.0000 0.0000 52198.3679 -109495.4439 299.9847 -161693.8118 -109131.4860 299.2004 76.1533 103.4221 761473.4258 2.6266 2.5289 PRESSURE: 2060600 37.1363 64.1998 29.306 64.1996 -205.957 -190.438 29.3063 -190.439 3.09431 GPRESSURE: 2060600 -60.278 -0.0242605 46.1965 112.362 -104.415 -219.968 -27.0505 -112.273 87.5632 PRESSAVG: 2060600 14.6871 -37.9948 46.0235 -37.9947 -19.0307 3.95242 46.0234 3.95247 2.37535 GPRESSAVG: 2060600 12.9861 -41.3022 46.017 -37.9802 -17.9335 5.20844 45.8555 1.52117 2.95433 TIMING: 2060600 CPU: 6586.94, 0.00315847/step Wall: 6586.94, 0.00315847/step, 2.57889 hours remaining, 231.656250 MB of memory in use. ENERGY: 2060600 4018.3630 20548.8526 14547.4336 258.9045 -203051.2261 2370.8776 0.0000 0.0000 51897.2136 -109409.5812 298.2540 -161306.7948 -109054.1868 298.9628 -55.2421 -25.7098 762695.4198 -0.6561 -0.6644 PRESSURE: 2060800 -352.213 -169.921 -27.5499 -169.921 -128.393 -230.002 -27.55 -230.001 -73.7877 GPRESSURE: 2060800 -270.105 -200.168 -78.9715 -331.515 -117.495 -283.448 -14.5674 -159.696 -79.1337 PRESSAVG: 2060800 5.46592 -18.4452 59.9973 -18.4452 1.5212 -27.3557 59.9973 -27.3557 3.18039 GPRESSAVG: 2060800 6.38083 -15.176 59.1301 -19.9072 1.44433 -28.4256 60.7545 -26.7697 2.19473 TIMING: 2060800 CPU: 6587.57, 0.00315054/step Wall: 6587.57, 0.00315054/step, 2.57224 hours remaining, 231.656250 MB of memory in use. ENERGY: 2060800 4011.5859 20412.8490 14544.3273 234.4188 -202978.7234 2302.3440 0.0000 0.0000 52042.7651 -109430.4331 299.0905 -161473.1982 -109066.8064 299.3785 -184.7977 -155.5782 764210.9974 3.3892 3.3400 PRESSURE: 2061000 -387.823 127.519 -10.7035 127.519 -204.419 31.802 -10.7041 31.8021 177.328 GPRESSURE: 2061000 -398.587 81.5766 33.8869 78.1192 -84.6411 7.71282 127.481 76.3488 145.845 PRESSAVG: 2061000 -19.1594 -61.357 0.127073 -61.357 56.6633 -19.4879 0.127032 -19.4878 10.6928 GPRESSAVG: 2061000 -20.8746 -61.9109 -0.524755 -62.0129 57.614 -22.2431 1.72965 -18.2567 11.7362 TIMING: 2061000 CPU: 6588.2, 0.00315272/step Wall: 6588.2, 0.00315272/step, 2.57385 hours remaining, 231.656250 MB of memory in use. ENERGY: 2061000 4059.8325 20585.1668 14522.0226 250.8369 -203458.4513 2654.8204 0.0000 0.0000 51924.5503 -109461.2217 298.4111 -161385.7721 -109098.3144 299.1897 -138.3046 -112.4610 763221.5783 16.0656 16.1585 PRESSURE: 2061200 -42.9196 -64.1335 -20.8165 -64.1327 -233.973 189.387 -20.8161 189.385 202.41 GPRESSURE: 2061200 36.6336 38.0475 -40.3016 -71.0203 -164.489 218.474 79.1868 156.916 141.328 PRESSAVG: 2061200 -6.37523 -32.8178 6.14516 -32.8179 -3.8885 -32.0091 6.14511 -32.0091 -8.18615 GPRESSAVG: 2061200 -5.13098 -33.3694 6.77083 -32.1399 -3.76864 -29.639 5.60838 -31.9912 -9.84022 TIMING: 2061200 CPU: 6588.83, 0.0031647/step Wall: 6588.83, 0.0031647/step, 2.58345 hours remaining, 231.656250 MB of memory in use. ENERGY: 2061200 3983.9873 20363.1961 14566.3920 272.5734 -203443.3965 2757.9792 0.0000 0.0000 52067.0335 -109432.2350 299.2300 -161499.2685 -109075.4514 298.9833 -24.8275 4.4908 761911.9429 -6.1500 -6.2466 PRESSURE: 2061400 76.8715 179.495 133.267 179.495 -227.514 80.238 133.268 80.2369 -154.277 GPRESSURE: 2061400 103.258 19.4402 118.461 197.725 -206.055 80.1583 117.76 65.6322 -122.577 PRESSAVG: 2061400 -42.6848 -36.1194 51.7794 -36.1194 -30.4058 -19.0527 51.7794 -19.0528 32.2377 GPRESSAVG: 2061400 -42.6872 -35.2336 52.9311 -37.9619 -30.8811 -20.7198 51.7184 -20.3017 32.2496 TIMING: 2061400 CPU: 6589.47, 0.0031723/step Wall: 6589.47, 0.0031723/step, 2.58948 hours remaining, 231.656250 MB of memory in use. ENERGY: 2061400 3944.9772 20413.6871 14434.2801 252.0672 -203245.2461 2465.5489 0.0000 0.0000 52224.0999 -109510.5858 300.1326 -161734.6856 -109137.0906 298.9850 -101.6398 -75.1243 762011.0419 -13.6176 -13.7729 PRESSURE: 2061600 112.003 -127.522 38.1862 -127.522 205.344 1.63355 38.1867 1.63472 134.698 GPRESSURE: 2061600 199.61 -31.025 24.8153 14.0475 159.572 31.8106 -39.7848 -18.9634 180.967 PRESSAVG: 2061600 39.7567 -23.8243 60.6813 -23.8243 -11.3496 55.7569 60.6814 55.757 3.61259 GPRESSAVG: 2061600 38.3615 -25.1614 59.6049 -20.1908 -11.1203 56.2491 60.2808 57.0182 4.61987 TIMING: 2061600 CPU: 6590.1, 0.0031599/step Wall: 6590.1, 0.0031599/step, 2.57918 hours remaining, 231.656250 MB of memory in use. ENERGY: 2061600 3998.0782 20388.6784 14478.0699 244.4847 -203364.9761 2679.0102 0.0000 0.0000 52141.3911 -109435.2637 299.6573 -161576.6548 -109077.9151 299.3548 150.6820 180.0494 761184.1929 10.6733 10.6204 PRESSURE: 2061800 -220.518 -98.8286 33.3939 -98.829 -88.791 21.7597 33.3933 21.7608 -20.1211 GPRESSURE: 2061800 -208.565 -59.9591 83.9902 -93.9962 1.66278 -7.49631 68.7358 -20.3819 -26.791 PRESSAVG: 2061800 -6.46137 -28.2275 17.3364 -28.2275 23.0167 -28.0884 17.3364 -28.0884 -5.509 GPRESSAVG: 2061800 -5.13427 -28.513 17.9113 -31.4711 21.7008 -25.4543 16.1878 -29.8705 -5.58213 TIMING: 2061800 CPU: 6590.74, 0.00318981/step Wall: 6590.74, 0.00318982/step, 2.60342 hours remaining, 231.656250 MB of memory in use. ENERGY: 2061800 4023.2269 20445.6748 14503.2532 234.1684 -203024.9109 2266.3998 0.0000 0.0000 52026.1784 -109526.0094 298.9952 -161552.1878 -109172.2120 299.1622 -109.8100 -77.8977 762520.4670 3.6821 3.6615 PRESSURE: 2062000 201.825 -19.2232 2.01451 -19.2223 67.6287 -171.456 2.01414 -171.456 87.9069 GPRESSURE: 2062000 243.638 -44.5243 -37.1914 -1.66414 98.5059 -140.844 -111.687 -97.7856 90.455 PRESSAVG: 2062000 9.64077 -65.5184 30.6887 -65.5184 8.20988 8.14575 30.6886 8.14571 2.34324 GPRESSAVG: 2062000 8.5937 -65.2637 29.5847 -65.3419 9.34798 7.44138 33.6675 8.48014 1.92258 TIMING: 2062000 CPU: 6591.38, 0.00321123/step Wall: 6591.38, 0.00321123/step, 2.62072 hours remaining, 231.656250 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: 2062000 4008.8104 20503.5442 14430.5488 240.2226 -203214.1297 2541.4456 0.0000 0.0000 51923.5796 -109565.9784 298.4055 -161489.5580 -109218.0784 298.8267 119.1201 144.1995 763383.7296 6.7313 6.6214 PRESSURE: 2062200 -18.0765 -252.201 -127.366 -252.202 -17.6711 -246.642 -127.365 -246.643 -8.14285 GPRESSURE: 2062200 84.069 -258.753 -225.733 -32.6418 10.9683 -237.339 164.46 -183.562 -61.0681 PRESSAVG: 2062200 20.4143 -82.4761 17.81 -82.4761 0.940083 -64.1728 17.8101 -64.1728 19.596 GPRESSAVG: 2062200 21.8566 -81.154 17.7567 -80.8775 -0.612302 -66.9044 16.408 -64.5631 20.126 TIMING: 2062200 CPU: 6592.02, 0.00320922/step Wall: 6592.02, 0.00320922/step, 2.6189 hours remaining, 231.656250 MB of memory in use. ENERGY: 2062200 3976.3252 20516.2322 14460.7650 242.2115 -203916.3240 2726.7996 0.0000 0.0000 52311.9442 -109682.0464 300.6375 -161993.9905 -109321.9172 298.8816 -14.6301 11.3231 759712.8997 13.6501 13.7901 PRESSURE: 2062400 -63.6707 49.8745 -80.0484 49.8732 -185.764 34.9121 -80.0476 34.9126 -167.511 GPRESSURE: 2062400 -53.8217 44.1169 -54.9721 54.5373 -134.112 -31.8112 -128.405 66.8654 -153.433 PRESSAVG: 2062400 44.9783 -20.5483 2.06252 -20.5483 -49.8118 -41.929 2.06246 -41.9291 11.9874 GPRESSAVG: 2062400 44.1134 -21.0148 5.08951 -21.1703 -47.5651 -39.2767 1.71715 -40.8198 10.6311 TIMING: 2062400 CPU: 6592.66, 0.00321245/step Wall: 6592.66, 0.00321245/step, 2.62136 hours remaining, 231.656250 MB of memory in use. ENERGY: 2062400 4033.9427 20543.9467 14476.0555 258.9155 -203491.0745 2578.2545 0.0000 0.0000 51928.3495 -109671.6100 298.4329 -161599.9595 -109311.8565 298.9906 -138.9822 -113.7889 761613.4415 2.3846 2.3931 PRESSURE: 2062600 -128.177 -76.2231 167.767 -76.2233 -245.342 0.973095 167.766 0.972728 261.086 GPRESSURE: 2062600 -89.1385 21.7677 142.72 -63.1083 -188.291 -35.102 183.708 -188.016 234.414 PRESSAVG: 2062600 -56.9598 -34.0803 39.5266 -34.0803 64.91 -3.98741 39.5266 -3.98737 -26.1102 GPRESSAVG: 2062600 -56.9906 -35.3967 36.4242 -35.1627 63.3839 -3.60252 38.6556 -6.11495 -24.331 TIMING: 2062600 CPU: 6593.31, 0.00321642/step Wall: 6593.31, 0.00321642/step, 2.62442 hours remaining, 231.656250 MB of memory in use. ENERGY: 2062600 3933.3476 20430.5176 14434.6200 240.2943 -203697.3026 2640.0418 0.0000 0.0000 52362.1443 -109656.3370 300.9260 -162018.4813 -109283.0098 299.2705 -37.4779 -14.3386 762028.5007 -6.0533 -5.9792 PRESSURE: 2062800 192.81 -341.762 128.55 -341.762 -276.453 -4.63146 128.55 -4.63049 137.871 GPRESSURE: 2062800 142.305 -210.316 72.156 -183.842 -177.536 23.9893 153.036 38.8801 175.49 PRESSAVG: 2062800 73.8214 -22.2821 13.4869 -22.2821 -69.4805 5.35856 13.4869 5.35862 3.82392 GPRESSAVG: 2062800 73.1135 -20.8285 14.777 -20.6152 -67.42 5.87563 13.4718 6.09262 2.75977 TIMING: 2062800 CPU: 6593.95, 0.00319718/step Wall: 6593.95, 0.00319717/step, 2.60854 hours remaining, 231.656250 MB of memory in use. ENERGY: 2062800 4005.0517 20451.5050 14510.3700 270.2750 -203317.8294 2615.3894 0.0000 0.0000 51845.7433 -109619.4949 297.9582 -161465.2382 -109258.3340 298.8618 18.0760 46.7529 761607.5484 2.7216 2.8178 PRESSURE: 2063000 25.8434 211.705 -213.335 211.704 -252.127 -19.7955 -213.336 -19.7955 -75.8057 GPRESSURE: 2063000 46.4112 187.684 -233.755 16.3646 -160.313 65.786 -215.514 -111.416 -101.957 PRESSAVG: 2063000 16.3363 -63.761 -3.57801 -63.761 -20.613 -8.8373 -3.57801 -8.83733 -9.95337 GPRESSAVG: 2063000 16.9425 -65.4658 -3.92074 -64.0395 -20.9991 -8.624 -2.19386 -7.68323 -10.1877 TIMING: 2063000 CPU: 6594.58, 0.00316872/step Wall: 6594.58, 0.00316872/step, 2.58515 hours remaining, 231.656250 MB of memory in use. ENERGY: 2063000 4018.9593 20531.5634 14556.5051 237.7905 -202916.8571 2360.0631 0.0000 0.0000 51908.1536 -109303.8220 298.3169 -161211.9756 -108951.2625 299.4661 -100.6966 -71.9532 761045.9339 -4.7434 -4.7481 PRESSURE: 2063200 125.269 -0.877697 -89.6514 -0.87796 280.166 23.0533 -89.6516 23.0527 303.158 GPRESSURE: 2063200 169.549 -8.20262 -156.916 -41.7926 296.928 -85.973 -48.9304 226.555 332.592 PRESSAVG: 2063200 -2.5068 -88.7716 2.56656 -88.7716 -18.2083 18.6824 2.56653 18.6824 -1.26202 GPRESSAVG: 2063200 -2.72228 -89.1747 3.27435 -88.8635 -18.2524 15.6129 3.4971 20.2518 -1.14086 TIMING: 2063200 CPU: 6595.22, 0.00318784/step Wall: 6595.22, 0.00318784/step, 2.60057 hours remaining, 231.656250 MB of memory in use. ENERGY: 2063200 4022.4466 20339.9807 14493.5720 245.4046 -203801.3655 3104.9820 0.0000 0.0000 52043.4980 -109551.4816 299.0947 -161594.9795 -109195.9833 299.3709 236.1976 266.3566 760730.7585 -7.3257 -7.3718 PRESSURE: 2063400 66.7132 -108.125 -180.966 -108.125 208.653 -42.0977 -180.966 -42.098 -47.3811 GPRESSURE: 2063400 115.904 -126.692 -150.193 -75.9956 142.758 -126.362 -178.055 -87.327 47.8398 PRESSAVG: 2063400 48.356 -71.7662 48.5796 -71.7663 0.441881 -14.5362 48.5797 -14.5362 7.40213 GPRESSAVG: 2063400 49.0985 -70.969 47.5805 -70.7761 -1.30602 -13.3058 49.5087 -15.9075 7.92796 TIMING: 2063400 CPU: 6595.86, 0.00319375/step Wall: 6595.86, 0.00319375/step, 2.60521 hours remaining, 231.656250 MB of memory in use. ENERGY: 2063400 3938.3067 20608.7276 14562.8896 255.3075 -203723.3407 2830.6474 0.0000 0.0000 52082.9353 -109444.5266 299.3213 -161527.4619 -109086.2597 299.5583 75.9951 102.1672 760452.0430 18.7333 18.5735 PRESSURE: 2063600 -200.581 43.1501 -310.047 43.1498 261.83 -4.43293 -310.046 -4.4319 -7.54457 GPRESSURE: 2063600 -60.5171 23.9147 -329.967 190.375 174.071 2.02995 -194.418 0.990636 19.3382 PRESSAVG: 2063600 -10.2002 18.3063 -28.5161 18.3062 6.48086 -43.4616 -28.5161 -43.4615 23.704 GPRESSAVG: 2063600 -10.476 18.7695 -28.6391 17.1209 6.90271 -44.1824 -28.9921 -42.0199 23.119 TIMING: 2063600 CPU: 6596.49, 0.00318261/step Wall: 6596.49, 0.00318261/step, 2.59595 hours remaining, 231.656250 MB of memory in use. ENERGY: 2063600 3917.1493 20529.6938 14494.1028 239.3549 -203094.3214 2538.8923 0.0000 0.0000 52086.1854 -109288.9429 299.3400 -161375.1283 -108930.9156 299.5782 17.9015 44.2975 760829.5487 6.6615 6.5152 PRESSURE: 2063800 -259.782 -143.73 -112.149 -143.73 -109.761 -278.992 -112.149 -278.992 43.198 GPRESSURE: 2063800 -234.579 -149.431 -13.6808 -121.163 -66.266 -256.234 -206.83 -160.773 56.2562 PRESSAVG: 2063800 6.74518 -38.7894 -10.3689 -38.7894 20.5538 -62.3649 -10.3689 -62.3649 -26.0247 GPRESSAVG: 2063800 6.42007 -40.3279 -9.6094 -36.2408 20.0142 -60.5577 -10.942 -65.4681 -25.4696 TIMING: 2063800 CPU: 6597.13, 0.00318985/step Wall: 6597.13, 0.00318985/step, 2.60168 hours remaining, 231.656250 MB of memory in use. ENERGY: 2063800 3986.2291 20491.5886 14541.6814 246.7962 -203010.6373 2412.5689 0.0000 0.0000 52114.1397 -109217.6335 299.5007 -161331.7732 -108863.5283 299.7227 -108.7816 -81.5298 761118.1357 0.4247 0.3216 PRESSURE: 2064000 -164.093 -55.6575 15.9584 -55.6571 194.121 207.274 15.9579 207.274 216.383 GPRESSURE: 2064000 -123.367 83.6711 47.5647 -31.8807 288.315 122.19 44.9271 182.64 159.525 PRESSAVG: 2064000 21.4963 -44.0846 -14.2037 -44.0846 -7.91764 33.4523 -14.2036 33.4522 5.20473 GPRESSAVG: 2064000 20.1743 -43.9834 -13.4921 -44.358 -6.05406 32.1319 -14.0368 35.5741 4.46273 TIMING: 2064000 CPU: 6597.77, 0.00318583/step Wall: 6597.77, 0.00318583/step, 2.59822 hours remaining, 231.656250 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: 2064000 3973.6683 20443.9954 14531.6702 228.4504 -203510.1334 2888.3807 0.0000 0.0000 52294.1778 -109149.7907 300.5354 -161443.9685 -108781.0203 299.6471 82.1369 108.1580 760127.3485 6.2611 6.1943 PRESSURE: 2064200 171.163 -245.553 26.9668 -245.553 146.331 197.417 26.9677 197.417 287.481 GPRESSURE: 2064200 161.024 -300.862 6.70591 -278.464 213.68 223.855 107.924 84.3938 321.807 PRESSAVG: 2064200 -1.87138 2.19984 23.136 2.1998 -2.37661 45.8991 23.136 45.8992 8.6003 GPRESSAVG: 2064200 -1.55049 4.57024 23.111 -0.0493436 -3.62215 47.2091 21.8201 44.1613 9.49361 TIMING: 2064200 CPU: 6598.41, 0.00320018/step Wall: 6598.41, 0.00320018/step, 2.60975 hours remaining, 231.656250 MB of memory in use. ENERGY: 2064200 3913.0698 20577.8972 14539.9358 232.3777 -203558.1912 2964.6353 0.0000 0.0000 52140.8617 -109189.4135 299.6542 -161330.2753 -108814.9238 299.9341 201.6585 232.1701 760523.3873 1.4508 1.4403 LDB: ============= START OF LOAD BALANCING ============== 6610.83 LDB: ============== END OF LOAD BALANCING =============== 6610.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6610.83 LDB: ============= START OF LOAD BALANCING ============== 6611.16 LDB: Largest compute 7033 load 0.038811 is 19.9% of average load 0.195511 LDB: Average compute 0.004394 is 2.2% of average load 0.195511 LDB: TIME 6611.16 LOAD: AVG 0.195511 MAX 0.215364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.875 MB LDB: TIME 6611.16 LOAD: AVG 0.195511 MAX 0.215364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.078 MB LDB: TIME 6611.16 LOAD: AVG 0.195511 MAX 0.215364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.078 MB LDB: ============== END OF LOAD BALANCING =============== 6611.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6611.17 PRESSURE: 2064400 198.638 -178.297 -315.903 -178.296 -10.1974 -77.3061 -315.902 -77.3061 375.199 GPRESSURE: 2064400 264.039 -143.9 -228.442 -190.113 1.33112 -52.101 -207.176 -54.5866 377.065 PRESSAVG: 2064400 -6.22006 -31.5407 -39.1926 -31.5407 -10.7667 10.6406 -39.1926 10.6406 22.1664 GPRESSAVG: 2064400 -5.12803 -30.8936 -40.2229 -32.0544 -11.8782 10.3557 -38.9899 11.1401 21.4252 TIMING: 2064400 CPU: 6599.06, 0.00326285/step Wall: 6599.06, 0.00326285/step, 2.66067 hours remaining, 231.570312 MB of memory in use. ENERGY: 2064400 3898.1607 20482.9015 14489.3525 255.1147 -202951.8028 2297.8859 0.0000 0.0000 52126.4717 -109401.9157 299.5715 -161528.3875 -109040.3715 299.9051 187.8796 214.1450 761701.9511 1.7265 1.4730 PRESSURE: 2064600 93.9669 173.992 149.125 173.992 -190.026 160.654 149.126 160.655 91.7937 GPRESSURE: 2064600 115.787 349.472 107.308 255.016 -161.691 107.654 83.1671 -20.5775 146.88 PRESSAVG: 2064600 32.5948 -9.59376 -0.560418 -9.59375 -73.6764 17.4483 -0.560381 17.4483 -9.32163 GPRESSAVG: 2064600 31.8192 -11.2374 -0.467652 -9.55892 -73.2511 16.9077 -0.0212115 15.9186 -8.39919 TIMING: 2064600 CPU: 6599.7, 0.00318927/step Wall: 6599.7, 0.00318927/step, 2.60049 hours remaining, 231.640625 MB of memory in use. ENERGY: 2064600 3993.9795 20509.3340 14460.4288 238.0495 -203596.2105 2902.4929 0.0000 0.0000 52085.2640 -109406.6618 299.3347 -161491.9258 -109048.0996 299.1510 -1.4217 33.6587 762710.5080 -16.8011 -16.6104 PRESSURE: 2064800 25.9798 141.347 48.6468 141.346 -231.684 55.1527 48.6469 55.1523 -202.384 GPRESSURE: 2064800 -5.08455 70.5175 42.3478 160.822 -80.9685 67.6283 -45.076 79.8263 -226.261 PRESSAVG: 2064800 16.6518 52.7403 -2.63326 52.7403 -14.9492 57.7157 -2.63326 57.7156 -1.88942 GPRESSAVG: 2064800 16.6349 52.0147 -2.35574 53.4979 -13.618 56.9403 -2.78569 60.5684 -3.05741 TIMING: 2064800 CPU: 6600.33, 0.00316956/step Wall: 6600.33, 0.00316956/step, 2.58425 hours remaining, 231.640625 MB of memory in use. ENERGY: 2064800 3957.0648 20443.0590 14525.7415 261.1145 -202914.4233 2375.2605 0.0000 0.0000 52008.9648 -109343.2184 298.8962 -161352.1831 -108976.8993 299.3284 -136.0293 -104.1047 761952.4537 -0.0623 -0.0135 PRESSURE: 2065000 -41.3162 186.465 -42.3795 186.466 -101.687 -343.914 -42.38 -343.913 -327.739 GPRESSURE: 2065000 -86.6336 180.761 -43.8297 72.2683 -19.6313 -301.701 -27.7003 -281.851 -284.4 PRESSAVG: 2065000 2.32763 92.9581 12.5883 92.9581 -5.33725 -1.6271 12.5883 -1.62704 -4.82371 GPRESSAVG: 2065000 2.69427 93.6654 12.4077 93.8176 -6.63233 -1.3434 13.7344 -1.61597 -4.09191 TIMING: 2065000 CPU: 6600.97, 0.00318256/step Wall: 6600.97, 0.00318256/step, 2.59467 hours remaining, 231.640625 MB of memory in use. ENERGY: 2065000 3970.6923 20609.9646 14485.0225 240.2713 -203152.5755 2422.7709 0.0000 0.0000 52118.3837 -109305.4704 299.5251 -161423.8540 -108940.6666 299.3846 -156.9141 -130.2218 761245.9754 -2.6111 -2.6767 PRESSURE: 2065200 -120.48 104.953 264.788 104.952 -35.4363 -66.2788 264.788 -66.2783 84.171 GPRESSURE: 2065200 -19.7929 95.4433 218.148 181.832 -3.58579 -3.18632 203.177 -146.865 22.5964 PRESSAVG: 2065200 18.5196 25.7676 27.1849 25.7676 -32.1143 -20.7383 27.1849 -20.7383 -7.2421 GPRESSAVG: 2065200 17.5901 26.6179 28.3487 24.888 -30.7855 -19.4588 25.9798 -20.6407 -7.27754 TIMING: 2065200 CPU: 6601.6, 0.00318172/step Wall: 6601.6, 0.00318172/step, 2.59381 hours remaining, 231.640625 MB of memory in use. ENERGY: 2065200 3916.1766 20498.9582 14514.0028 235.0775 -203304.4044 2594.8992 0.0000 0.0000 52098.6802 -109446.6099 299.4118 -161545.2901 -109086.9024 299.1664 -23.9152 -0.2607 762491.8050 -6.9456 -6.8243 PRESSURE: 2065400 -212.211 -212.37 -23.3796 -212.37 -5.88136 117.446 -23.3795 117.446 35.2171 GPRESSURE: 2065400 24.627 -111.438 -63.1028 -151.58 -132.821 133.43 -77.4712 195.145 27.1307 PRESSAVG: 2065400 0.482763 -52.1162 -73.5972 -52.1162 -46.2149 7.66407 -73.5972 7.66408 15.7923 GPRESSAVG: 2065400 1.06786 -54.8579 -75.3694 -49.2397 -47.4962 7.09534 -72.3805 7.4453 16.4735 TIMING: 2065400 CPU: 6602.24, 0.0031885/step Wall: 6602.24, 0.0031885/step, 2.59916 hours remaining, 231.640625 MB of memory in use. ENERGY: 2065400 3929.7532 20431.7203 14510.8439 228.7593 -203056.1956 2395.7849 0.0000 0.0000 52017.5858 -109541.7481 298.9458 -161559.3339 -109178.3406 299.1333 -60.9584 -27.0210 761806.3604 -9.9800 -9.9850 PRESSURE: 2065600 77.7941 -99.8101 -86.8031 -99.8111 173.428 107.761 -86.8035 107.762 325.034 GPRESSURE: 2065600 109.664 -52.7407 -151.612 -110.753 277.323 145.121 38.6104 117.216 280.006 PRESSAVG: 2065600 -25.2779 -39.6079 -23.3322 -39.6078 -2.37402 33.707 -23.3322 33.7069 11.0844 GPRESSAVG: 2065600 -25.2745 -38.7908 -22.6206 -40.0376 -1.74499 33.8534 -23.0602 30.6179 10.4971 TIMING: 2065600 CPU: 6602.88, 0.00321333/step Wall: 6602.88, 0.00321333/step, 2.61922 hours remaining, 231.640625 MB of memory in use. ENERGY: 2065600 3926.0695 20524.5961 14482.7195 257.4599 -203546.4074 2601.7060 0.0000 0.0000 52225.2098 -109528.6465 300.1390 -161753.8563 -109167.6055 299.2639 192.0853 222.3309 759865.3647 -5.5225 -5.5074 PRESSURE: 2065800 98.0475 64.1643 -123.888 64.1649 -79.7047 -136.423 -123.888 -136.424 145.516 GPRESSURE: 2065800 165.564 58.2877 -73.4831 17.1992 1.72016 -130.42 -150.275 -170.953 103.474 PRESSAVG: 2065800 13.4167 -69.1983 -62.0763 -69.1982 -26.1071 -15.257 -62.0763 -15.2569 17.0749 GPRESSAVG: 2065800 14.3748 -67.1229 -61.4906 -71.5463 -27.2615 -14.7658 -64.4843 -13.106 17.3957 TIMING: 2065800 CPU: 6603.53, 0.0032197/step Wall: 6603.53, 0.0032197/step, 2.62424 hours remaining, 231.640625 MB of memory in use. ENERGY: 2065800 3977.8075 20474.1706 14536.3744 259.8758 -203400.1988 2716.2800 0.0000 0.0000 51955.7238 -109479.9667 298.5903 -161435.6905 -109123.4704 298.9905 54.6195 90.2527 760824.1606 1.4615 1.5030 PRESSURE: 2066000 163.182 34.9557 19.2099 34.9555 -507.479 46.2529 19.2107 46.2536 -149.945 GPRESSURE: 2066000 32.3361 44.5354 48.4158 20.6352 -351.146 31.8467 -7.31281 16.5809 -86.3075 PRESSAVG: 2066000 19.6379 -40.9883 0.266634 -40.9883 22.4492 -22.2648 0.266588 -22.2649 -15.1889 GPRESSAVG: 2066000 18.7943 -41.2143 -0.505645 -41.0683 23.8898 -23.5326 0.459191 -21.2873 -15.9913 TIMING: 2066000 CPU: 6604.17, 0.00321733/step Wall: 6604.17, 0.00321733/step, 2.62212 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2066000 4008.4823 20343.7863 14493.4910 242.1811 -203150.1787 2510.1605 0.0000 0.0000 52042.4093 -109509.6683 299.0884 -161552.0776 -109152.8274 299.0759 -164.7473 -135.0392 762639.0235 8.9661 8.8976 PRESSURE: 2066200 61.9702 -79.3214 130.598 -79.3219 126.822 -189.395 130.598 -189.394 -464.064 GPRESSURE: 2066200 40.9446 -43.4751 188.653 11.0075 163.039 -81.0249 85.1939 -196.38 -414.5 PRESSAVG: 2066200 53.4378 -52.3098 8.27534 -52.3098 -30.567 -3.81396 8.27541 -3.81398 -4.39799 GPRESSAVG: 2066200 52.9773 -51.3753 9.46846 -51.435 -31.2686 -2.56852 11.219 -6.24 -3.92371 TIMING: 2066200 CPU: 6604.81, 0.00318219/step Wall: 6604.81, 0.00318219/step, 2.59331 hours remaining, 231.640625 MB of memory in use. ENERGY: 2066200 3929.2776 20408.3684 14527.0062 245.4344 -203590.3986 2829.6567 0.0000 0.0000 52154.6782 -109495.9770 299.7337 -161650.6553 -109121.4217 298.7471 -91.7572 -70.1722 762720.2695 6.1576 5.9283 PRESSURE: 2066400 -800.902 -17.9804 -71.619 -17.9795 -26.6423 2.03759 -71.6186 2.03857 36.6465 GPRESSURE: 2066400 -640.755 -110.164 -25.3826 -43.4112 -125.026 -41.0155 -184.948 84.8679 28.6963 PRESSAVG: 2066400 -86.0836 -71.7488 44.7331 -71.7487 11.7997 -53.4543 44.733 -53.4543 -9.97444 GPRESSAVG: 2066400 -86.0804 -73.9439 45.4824 -69.7881 11.4887 -52.8139 41.5953 -51.2263 -9.80267 TIMING: 2066400 CPU: 6605.45, 0.0032029/step Wall: 6605.45, 0.0032029/step, 2.61001 hours remaining, 231.640625 MB of memory in use. ENERGY: 2066400 3928.9918 20351.5696 14562.8889 230.5112 -202748.9037 2112.3816 0.0000 0.0000 52055.2511 -109507.3093 299.1622 -161562.5605 -109144.1495 299.0942 -263.6326 -245.6946 763418.1620 -28.0861 -28.1315 PRESSURE: 2066600 -167.548 -76.0542 31.4733 -76.0546 -194.701 120.742 31.4725 120.742 -127.32 GPRESSURE: 2066600 -79.9493 -146.909 -38.1457 -93.6366 -181.076 8.72421 -6.68765 51.9831 -148.689 PRESSAVG: 2066600 46.2597 -31.1174 -57.3048 -31.1174 -2.38221 -2.8823 -57.3049 -2.8823 24.4993 GPRESSAVG: 2066600 47.3523 -30.3114 -58.2246 -33.5839 -1.4275 -1.66748 -56.6219 -4.48252 22.9063 TIMING: 2066600 CPU: 6606.1, 0.00323936/step Wall: 6606.1, 0.00323936/step, 2.63954 hours remaining, 231.640625 MB of memory in use. ENERGY: 2066600 3910.9756 20576.2196 14601.7704 247.5891 -203349.3132 2525.6392 0.0000 0.0000 51914.4295 -109572.6898 298.3529 -161487.1193 -109211.1240 299.0562 -163.1897 -136.5715 761773.3601 22.7923 22.9437 PRESSURE: 2066800 -216.756 -103.895 -259.17 -103.896 -25.2196 111.454 -259.17 111.454 428.706 GPRESSURE: 2066800 -215.09 -80.7891 -269.212 -160.517 97.7838 132.87 -283.545 235.896 403.497 PRESSAVG: 2066800 9.2394 -96.9842 -49.7077 -96.9842 -29.8751 -28.4475 -49.7077 -28.4475 -10.4069 GPRESSAVG: 2066800 8.37141 -95.5287 -51.0025 -98.2486 -28.5162 -30.6227 -47.7288 -26.0031 -10.9737 TIMING: 2066800 CPU: 6606.74, 0.00321209/step Wall: 6606.74, 0.00321209/step, 2.61714 hours remaining, 231.640625 MB of memory in use. ENERGY: 2066800 3929.3233 20405.0354 14630.4117 254.8905 -202871.3771 2381.4228 0.0000 0.0000 51960.5390 -109309.7545 298.6179 -161270.2935 -108949.8503 299.3762 62.2434 95.3967 761670.2846 -10.3475 -10.3728 PRESSURE: 2067000 -88.6998 -260.789 -200.69 -260.788 153.968 -49.1375 -200.689 -49.1382 209.302 GPRESSURE: 2067000 22.2706 -249.33 -261.77 -236.305 72.49 -87.2997 -298.68 -19.5459 268.756 PRESSAVG: 2067000 -34.2271 -76.7342 -11.5803 -76.7341 25.2701 10.8542 -11.5803 10.8542 9.57337 GPRESSAVG: 2067000 -34.8902 -78.8025 -11.1678 -75.7027 24.4233 12.0344 -12.1145 9.61761 10.915 TIMING: 2067000 CPU: 6607.38, 0.00318739/step Wall: 6607.38, 0.00318739/step, 2.59684 hours remaining, 231.640625 MB of memory in use. ENERGY: 2067000 4046.3393 20582.1062 14547.5759 251.9095 -203883.5645 2888.5171 0.0000 0.0000 52203.9601 -109363.1565 300.0169 -161567.1165 -109010.3021 299.5231 91.5232 121.1723 760618.0473 0.2055 0.1494 PRESSURE: 2067200 -295.915 170.133 62.2449 170.132 -231.847 44.7682 62.2443 44.7682 -305.503 GPRESSURE: 2067200 -182.261 69.523 100.216 136.057 -226.751 54.4397 -10.3716 -4.47041 -320.909 PRESSAVG: 2067200 -45.8239 -7.29916 -1.39339 -7.29915 10.8612 17.8262 -1.3934 17.8262 23.7833 GPRESSAVG: 2067200 -44.5655 -7.18048 -0.548079 -6.16984 10.3704 18.5968 -0.816419 15.8634 23.2806 TIMING: 2067200 CPU: 6608.01, 0.00316396/step Wall: 6608.01, 0.00316396/step, 2.57757 hours remaining, 231.640625 MB of memory in use. ENERGY: 2067200 4058.8855 20445.2421 14590.0132 241.1733 -202848.3159 2248.0829 0.0000 0.0000 52040.1059 -109224.8129 299.0752 -161264.9188 -108863.7116 299.7688 -277.7550 -243.3068 762402.7264 -3.7265 -3.6382 PRESSURE: 2067400 56.6536 11.4309 92.4547 11.4302 -47.3945 -105.097 92.4545 -105.098 8.54802 GPRESSURE: 2067400 -27.4309 -17.9914 106.256 -28.3518 2.27318 -40.3983 62.349 -14.0564 119.439 PRESSAVG: 2067400 16.6005 -49.8676 46.4755 -49.8676 5.27865 18.8808 46.4755 18.8808 -23.7729 GPRESSAVG: 2067400 15.7464 -48.874 46.6123 -51.2659 4.73866 17.1406 45.8209 22.6475 -22.4804 TIMING: 2067400 CPU: 6608.64, 0.00316348/step Wall: 6608.64, 0.00316348/step, 2.57701 hours remaining, 231.640625 MB of memory in use. ENERGY: 2067400 3925.6354 20621.4694 14608.5648 225.7307 -203396.0227 2488.9083 0.0000 0.0000 52268.5103 -109257.2038 300.3878 -161525.7141 -108893.3730 299.8626 5.9357 31.4271 760808.0361 -0.6312 -0.6651 PRESSURE: 2067600 212.328 142.178 -144.547 142.178 -77.8901 -126.42 -144.548 -126.42 319.405 GPRESSURE: 2067600 276.575 124.494 -274.608 142.721 -11.7009 -61.1096 -82.7078 -105.875 269.228 PRESSAVG: 2067600 64.5269 -24.0756 -45.609 -24.0756 -7.13289 -7.22216 -45.6089 -7.22212 1.61408 GPRESSAVG: 2067600 64.1352 -24.2252 -46.5051 -22.6642 -5.53938 -7.17836 -44.4011 -8.02195 0.39147 TIMING: 2067600 CPU: 6609.28, 0.00318873/step Wall: 6609.28, 0.00318873/step, 2.5974 hours remaining, 231.640625 MB of memory in use. ENERGY: 2067600 3994.7201 20548.8540 14596.2727 256.6880 -203456.0694 2708.4968 0.0000 0.0000 52188.2986 -109162.7393 299.9269 -161351.0378 -108799.5161 300.3060 151.2809 178.0340 760863.7166 19.6694 19.6624 PRESSURE: 2067800 -368.214 27.0437 19.5975 27.043 -74.0152 56.4734 19.5971 56.4739 -154.014 GPRESSURE: 2067800 -270.952 56.0031 65.3846 27.0837 -157.375 52.8453 94.548 121.655 -105.308 PRESSAVG: 2067800 25.4122 27.8925 46.1372 27.8925 11.3413 19.6908 46.1372 19.6908 30.3141 GPRESSAVG: 2067800 25.5548 28.1328 46.7589 28.6359 11.0041 20.0513 46.9543 21.0946 30.5598 TIMING: 2067800 CPU: 6609.92, 0.00317966/step Wall: 6609.92, 0.00317966/step, 2.58983 hours remaining, 231.640625 MB of memory in use. ENERGY: 2067800 4057.9334 20517.0161 14576.3976 243.5835 -203179.4532 2339.6677 0.0000 0.0000 52184.8743 -109259.9804 299.9072 -161444.8548 -108898.5630 299.9535 -198.7477 -177.8782 762275.1570 22.3559 22.3729 PRESSURE: 2068000 -206.224 12.1629 -279.516 12.1634 211.948 19.4377 -279.517 19.4377 -78.3338 GPRESSURE: 2068000 -143.419 -61.4864 -325.247 -27.648 191.807 53.132 -328.938 111.228 -41.944 PRESSAVG: 2068000 -26.9089 2.86237 37.7831 2.86242 14.9215 27.2065 37.783 27.2066 -11.8781 GPRESSAVG: 2068000 -26.5752 2.58119 37.1038 3.117 14.1399 28.2379 37.4711 23.7222 -11.4572 TIMING: 2068000 CPU: 6610.55, 0.00317141/step Wall: 6610.55, 0.00317141/step, 2.58293 hours remaining, 231.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2068000 4054.1460 20571.1787 14660.3852 249.6858 -202954.9159 2306.0485 0.0000 0.0000 52010.3856 -109103.0861 298.9044 -161113.4717 -108751.7864 299.9245 -24.2036 2.1481 761291.8210 -7.9552 -7.9642 PRESSURE: 2068200 -75.0703 223.771 -15.8114 223.771 -161.203 -179.028 -15.811 -179.026 -17.7279 GPRESSURE: 2068200 -40.0592 172.648 14.9825 133.242 -92.3017 -125.747 81.3448 -66.465 -42.4809 PRESSAVG: 2068200 17.0273 10.2535 -47.5032 10.2535 -15.3391 -13.265 -47.5032 -13.2649 -16.8415 GPRESSAVG: 2068200 17.9206 11.4732 -47.3734 9.07749 -14.4129 -13.9605 -49.5635 -11.7563 -18.3739 TIMING: 2068200 CPU: 6611.19, 0.00317972/step Wall: 6611.19, 0.00317972/step, 2.58953 hours remaining, 231.640625 MB of memory in use. ENERGY: 2068200 4035.0970 20479.9945 14583.7659 270.6642 -203335.9177 2444.0237 0.0000 0.0000 52187.2977 -109335.0747 299.9211 -161522.3724 -108968.9937 299.9542 -84.6672 -58.2806 760251.1023 -5.0511 -4.9554 LDB: ============= START OF LOAD BALANCING ============== 6623.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6623.61 LDB: =============== DONE WITH MIGRATION ================ 6623.61 LDB: ============= START OF LOAD BALANCING ============== 6623.93 LDB: Largest compute 7033 load 0.037440 is 19.1% of average load 0.195538 LDB: Average compute 0.004391 is 2.2% of average load 0.195538 LDB: TIME 6623.94 LOAD: AVG 0.195538 MAX 0.216671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.367 MB LDB: TIME 6623.94 LOAD: AVG 0.195538 MAX 0.216671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.461 MB LDB: TIME 6623.94 LOAD: AVG 0.195538 MAX 0.216671 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.461 MB LDB: ============== END OF LOAD BALANCING =============== 6623.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6623.95 PRESSURE: 2068400 -9.87162 165.224 8.76272 165.224 -17.499 -111.386 8.76196 -111.386 -116.936 GPRESSURE: 2068400 58.6726 161.926 2.85721 0.140583 55.4961 -143.161 -0.353153 8.70604 -180.366 PRESSAVG: 2068400 -7.69216 -26.4511 -26.9335 -26.4511 -0.555323 -21.4777 -26.9336 -21.4777 -7.09135 GPRESSAVG: 2068400 -7.00649 -28.6161 -25.8252 -26.041 -2.45941 -22.2802 -26.6197 -21.5015 -5.75208 TIMING: 2068400 CPU: 6611.84, 0.00326674/step Wall: 6611.84, 0.00326674/step, 2.66022 hours remaining, 232.710938 MB of memory in use. ENERGY: 2068400 4025.2752 20589.3224 14651.9968 258.2675 -203738.9919 2664.5579 0.0000 0.0000 51949.4661 -109600.1060 298.5543 -161549.5721 -109237.2548 299.2540 -48.1021 -22.0658 760318.9458 -5.1129 -5.0727 PRESSURE: 2068600 167.802 -112.51 212.685 -112.51 522.735 -17.8692 212.685 -17.8693 274.449 GPRESSURE: 2068600 152.714 -73.4394 252.196 -169.449 468.159 -43.1856 270.974 24.0889 429.541 PRESSAVG: 2068600 19.5992 -15.2433 61.3101 -15.2432 21.1612 -12.2813 61.3101 -12.2813 10.065 GPRESSAVG: 2068600 18.1576 -14.058 61.3261 -15.385 21.501 -12.0077 63.7865 -13.9529 10.9602 TIMING: 2068600 CPU: 6612.47, 0.00315793/step Wall: 6612.47, 0.00315793/step, 2.57143 hours remaining, 233.035156 MB of memory in use. ENERGY: 2068600 3953.7754 20487.3977 14644.1742 260.1933 -203737.3523 2779.9753 0.0000 0.0000 52068.1545 -109543.6818 299.2364 -161611.8363 -109176.7035 299.4063 321.6621 350.1381 759060.8224 16.9418 16.8729 PRESSURE: 2068800 9.235 -26.994 -174.235 -26.9937 -38.0202 -109.363 -174.235 -109.364 -49.1334 GPRESSURE: 2068800 67.5765 -61.9042 -104.098 108.55 19.9767 -61.2406 -288.422 -144.94 -75.3895 PRESSAVG: 2068800 40.6208 10.2623 -28.0866 10.2623 -1.71851 41.3725 -28.0865 41.3725 -12.3015 GPRESSAVG: 2068800 41.2394 8.54719 -28.8521 11.75 -2.31131 39.6437 -30.7908 44.1067 -12.0126 TIMING: 2068800 CPU: 6613.1, 0.00316417/step Wall: 6613.1, 0.00316417/step, 2.57633 hours remaining, 233.035156 MB of memory in use. ENERGY: 2068800 3944.6372 20605.8362 14615.0590 226.9534 -203561.2954 2592.2236 0.0000 0.0000 51880.1648 -109696.4212 298.1560 -161576.5860 -109340.0340 299.3769 -25.9729 4.0546 761061.1712 8.8669 8.9718 PRESSURE: 2069000 -380.388 -7.41958 -200.066 -7.419 -509.909 -228.007 -200.065 -228.006 138.598 GPRESSURE: 2069000 -382.956 51.6314 -106.086 -107.57 -448.732 -180.218 -234.713 -193.844 153.584 PRESSAVG: 2069000 -49.8748 14.647 2.94808 14.6469 78.6271 -30.5315 2.94804 -30.5315 8.45069 GPRESSAVG: 2069000 -49.9523 16.1871 0.103066 12.1939 79.6929 -28.7489 3.61696 -31.7627 7.35469 TIMING: 2069000 CPU: 6613.73, 0.00315228/step Wall: 6613.73, 0.00315228/step, 2.56648 hours remaining, 233.035156 MB of memory in use. ENERGY: 2069000 3934.6571 20566.3145 14538.2209 252.4148 -203199.2608 2214.4654 0.0000 0.0000 52014.6528 -109678.5353 298.9289 -161693.1881 -109320.3591 298.7339 -250.5661 -226.0346 761473.4603 12.4010 12.3651 PRESSURE: 2069200 49.0062 -4.34648 43.0632 -4.34607 -3.66562 -196.553 43.0633 -196.552 -73.9285 GPRESSURE: 2069200 120.656 -64.2609 35.3902 66.8948 -68.0608 -277.04 56.2111 -163.299 9.15669 PRESSAVG: 2069200 3.89065 29.5727 -37.5595 29.5727 4.4491 -22.3269 -37.5595 -22.3269 -19.3843 GPRESSAVG: 2069200 3.84914 30.4655 -35.8508 30.27 3.93523 -23.2082 -38.4251 -23.6439 -19.0089 TIMING: 2069200 CPU: 6614.37, 0.00315244/step Wall: 6614.37, 0.00315244/step, 2.56644 hours remaining, 233.035156 MB of memory in use. ENERGY: 2069200 4036.0117 20464.4402 14603.8919 235.5067 -203826.4888 2825.1322 0.0000 0.0000 52089.6343 -109571.8718 299.3598 -161661.5060 -109213.4516 298.8213 -9.5293 20.5841 760023.8094 -3.6815 -3.7415 PRESSURE: 2069400 267.152 -64.1727 -171.758 -64.1721 101.934 59.8346 -171.758 59.8356 218.241 GPRESSURE: 2069400 224.271 -57.2889 -202.076 -14.9384 214.46 118.161 -169.638 -69.4003 236.851 PRESSAVG: 2069400 -88.2297 -1.77114 3.39651 -1.7711 101.254 -55.111 3.39651 -55.1109 0.491593 GPRESSAVG: 2069400 -88.8178 -0.881355 3.25337 -0.121064 100.743 -53.6642 4.84675 -55.8292 0.968254 TIMING: 2069400 CPU: 6615, 0.00314965/step Wall: 6615, 0.00314965/step, 2.56399 hours remaining, 233.234375 MB of memory in use. ENERGY: 2069400 3968.5068 20392.9028 14586.3162 249.3484 -203711.7954 2891.0513 0.0000 0.0000 52012.0972 -109611.5727 298.9142 -161623.6699 -109252.8538 299.0046 195.7758 225.1941 760561.1473 4.5052 4.2978 PRESSURE: 2069600 134.249 74.4156 -219.942 74.4156 123.032 -100.624 -219.941 -100.625 98.4503 GPRESSURE: 2069600 209.238 79.6466 -150.317 22.5705 163.284 -92.2864 -158.01 -184.64 74.7236 PRESSAVG: 2069600 5.09693 11.9628 -0.290711 11.9629 15.5037 29.8114 -0.290711 29.8115 -16.0977 GPRESSAVG: 2069600 4.1485 11.2667 0.859532 11.4544 16.636 29.7664 -1.22817 30.6114 -16.3951 TIMING: 2069600 CPU: 6615.63, 0.00318634/step Wall: 6615.63, 0.00318634/step, 2.59368 hours remaining, 233.234375 MB of memory in use. ENERGY: 2069600 3909.5492 20571.0697 14522.5682 225.9777 -203668.6720 2566.3942 0.0000 0.0000 52076.4285 -109796.6844 299.2840 -161873.1130 -109435.7660 298.9307 118.5771 149.0816 759397.2773 1.5010 1.4631 PRESSURE: 2069800 -101.43 168.282 -172.094 168.282 358.816 124.582 -172.094 124.583 45.3445 GPRESSURE: 2069800 -65.2573 -22.604 -222.289 71.3828 369.16 83.5508 -98.7437 117.213 89.4376 PRESSAVG: 2069800 -1.90422 -22.0239 -9.59037 -22.0239 3.02582 15.5926 -9.5904 15.5926 10.7124 GPRESSAVG: 2069800 -1.91538 -23.089 -10.935 -23.634 3.09346 12.8906 -6.65962 16.6791 10.3451 TIMING: 2069800 CPU: 6616.26, 0.00315125/step Wall: 6616.26, 0.00315125/step, 2.56495 hours remaining, 233.445312 MB of memory in use. ENERGY: 2069800 3922.9454 20385.7043 14561.3708 249.8070 -203897.3409 2760.2939 0.0000 0.0000 52146.2513 -109870.9682 299.6852 -162017.2195 -109503.9872 298.2721 100.9101 131.1133 761318.5393 3.9447 3.8411 PRESSURE: 2070000 -113.969 -146.699 114.206 -146.698 -205.916 26.6246 114.206 26.6247 -99.5001 GPRESSURE: 2070000 -23.0901 10.328 225.802 -179.834 -225.131 51.2568 -117.511 3.10016 -81.0987 PRESSAVG: 2070000 65.5704 -11.8992 -1.37566 -11.8992 -48.9491 20.1265 -1.37565 20.1264 8.31895 GPRESSAVG: 2070000 66.2587 -11.25 -0.183786 -10.9126 -49.6109 20.9946 -5.4278 19.0169 8.32096 TIMING: 2070000 CPU: 6616.9, 0.00316199/step Wall: 6616.9, 0.00316199/step, 2.57351 hours remaining, 233.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 3985.9368 20316.4196 14546.7739 220.4213 -203116.6777 2404.6587 0.0000 0.0000 51927.0430 -109715.4245 298.4254 -161642.4675 -109358.1970 298.6878 -139.7949 -109.7734 761955.7825 8.3134 8.3229 PRESSURE: 2070200 15.1863 0.195398 -208.613 0.196754 -419.807 121.806 -208.614 121.807 392.352 GPRESSURE: 2070200 42.4566 -69.9273 -200 25.9479 -348.713 148.997 -44.6358 16.231 379.907 PRESSAVG: 2070200 29.715 -11.1876 -45.0537 -11.1876 21.7466 22.5099 -45.0537 22.51 11.9966 GPRESSAVG: 2070200 28.5104 -11.5238 -44.3321 -10.9736 23.2386 22.5209 -43.4985 21.9777 11.5479 TIMING: 2070200 CPU: 6617.53, 0.0031658/step Wall: 6617.53, 0.0031658/step, 2.57643 hours remaining, 233.445312 MB of memory in use. ENERGY: 2070200 3999.3583 20254.8255 14562.2884 240.0841 -203551.3665 2679.0074 0.0000 0.0000 52061.8011 -109754.0016 299.1999 -161815.8026 -109387.5751 298.5484 -4.0897 24.5501 760645.5585 21.1527 21.0990 PRESSURE: 2070400 -50.9613 -67.171 -122.759 -67.1715 -67.5097 93.0394 -122.759 93.0392 103.921 GPRESSURE: 2070400 12.3844 -70.1523 -71.827 -161.632 -18.3388 116.692 -231.403 42.3743 51.1735 PRESSAVG: 2070400 -5.10047 -16.993 11.1214 -16.993 47.3024 6.13491 11.1214 6.13486 12.8458 GPRESSAVG: 2070400 -3.89185 -18.276 9.5415 -17.9203 46.5614 6.14966 9.92059 8.12663 12.6429 TIMING: 2070400 CPU: 6618.16, 0.00315159/step Wall: 6618.16, 0.00315159/step, 2.56469 hours remaining, 233.445312 MB of memory in use. ENERGY: 2070400 3916.0301 20487.0613 14478.3378 246.7580 -203072.1074 2369.9600 0.0000 0.0000 52039.8979 -109534.0623 299.0740 -161573.9602 -109177.2205 299.0183 -4.8499 15.0730 761659.7177 18.3493 18.4375 PRESSURE: 2070600 -97.9032 203.102 9.94825 203.102 -94.0077 -223.678 9.94817 -223.677 -285.129 GPRESSURE: 2070600 -64.5916 32.3291 115.005 226.085 -69.275 -200.53 2.49431 -105.011 -264.701 PRESSAVG: 2070600 -23.932 -16.7479 28.8145 -16.7479 10.7853 -3.56435 28.8144 -3.56427 10.065 GPRESSAVG: 2070600 -23.6194 -16.0155 30.0021 -16.4208 10.6058 -1.35277 29.8214 -4.65353 9.4623 TIMING: 2070600 CPU: 6618.79, 0.00315933/step Wall: 6618.79, 0.00315933/step, 2.57082 hours remaining, 233.445312 MB of memory in use. ENERGY: 2070600 3981.1286 20472.7766 14538.2515 238.8882 -203127.3359 2487.3190 0.0000 0.0000 52010.7836 -109398.1882 298.9067 -161408.9719 -109036.5767 299.4200 -159.0134 -132.8560 762403.9757 -1.0272 -1.1838 PRESSURE: 2070800 35.2299 65.8883 1.83019 65.8891 199.659 71.2199 1.83062 71.2196 -230.445 GPRESSURE: 2070800 39.071 91.6801 39.8761 7.69404 237.569 16.3651 37.0109 66.9812 -185.389 PRESSAVG: 2070800 -13.2243 -57.7847 37.0384 -57.7847 37.0729 -44.3455 37.0384 -44.3455 4.24408 GPRESSAVG: 2070800 -13.2283 -56.5044 38.138 -58.9626 38.0325 -45.7453 35.2881 -44.1846 2.89633 TIMING: 2070800 CPU: 6619.43, 0.00317907/step Wall: 6619.43, 0.00317907/step, 2.58671 hours remaining, 233.445312 MB of memory in use. ENERGY: 2070800 3941.0919 20468.2861 14584.2065 253.0705 -203214.2405 2701.9629 0.0000 0.0000 52067.7976 -109197.8249 299.2343 -161265.6225 -108841.9007 299.2849 1.4814 30.4170 763109.9890 9.3642 9.2335 PRESSURE: 2071000 -96.3426 -210.034 13.7433 -210.034 -302.695 102.073 13.7438 102.072 -50.0651 GPRESSURE: 2071000 -128.12 -151.934 47.4736 -197.775 -191.144 74.4377 1.37392 195.938 -40.6407 PRESSAVG: 2071000 -28.4243 6.347 -18.0961 6.34697 4.66326 -10.0078 -18.0961 -10.0079 -0.930529 GPRESSAVG: 2071000 -29.6021 5.85437 -20.5796 7.92978 3.44164 -8.60226 -15.3032 -11.1649 1.51781 TIMING: 2071000 CPU: 6620.06, 0.00315306/step Wall: 6620.06, 0.00315306/step, 2.56537 hours remaining, 233.445312 MB of memory in use. ENERGY: 2071000 4018.2103 20481.8908 14522.8667 230.4029 -202760.5912 2360.6806 0.0000 0.0000 52017.4219 -109129.1180 298.9448 -161146.5399 -108763.7225 299.8560 -149.7009 -119.9684 764019.1402 -8.2305 -8.2142 PRESSURE: 2071200 158.107 -39.8613 111.824 -39.8602 -240.291 103.224 111.824 103.226 22.0641 GPRESSURE: 2071200 206.53 2.96955 153.561 109.458 -219.19 42.1479 66.3089 135.334 28.349 PRESSAVG: 2071200 15.6031 12.2503 -25.5741 12.2504 -30.8314 -10.1475 -25.5742 -10.1475 -4.66966 GPRESSAVG: 2071200 16.3812 12.2937 -23.6978 11.9893 -31.9557 -9.33114 -27.8688 -8.34628 -4.94926 TIMING: 2071200 CPU: 6620.69, 0.00315067/step Wall: 6620.69, 0.00315067/step, 2.56325 hours remaining, 233.445312 MB of memory in use. ENERGY: 2071200 4007.4235 20525.7796 14531.8318 259.6231 -203529.4986 2666.3231 0.0000 0.0000 52232.7436 -109305.7739 300.1823 -161538.5175 -108942.1586 300.0660 -20.0399 5.2296 760768.4797 -6.6327 -6.8413 PRESSURE: 2071400 -598.543 -77.3247 -30.3733 -77.3251 114.924 -51.8363 -30.3731 -51.8367 -311.776 GPRESSURE: 2071400 -540.693 53.6044 25.5759 34.9689 128.227 -45.6566 48.6881 -54.5197 -297.781 PRESSAVG: 2071400 3.96857 -3.23042 45.4106 -3.23038 29.6348 -24.4177 45.4105 -24.4177 3.8071 GPRESSAVG: 2071400 2.71165 -1.97358 44.1479 -2.67753 31.4387 -26.2111 46.9003 -25.0791 3.58638 TIMING: 2071400 CPU: 6621.32, 0.00314818/step Wall: 6621.32, 0.00314818/step, 2.56105 hours remaining, 233.445312 MB of memory in use. ENERGY: 2071400 3986.1968 20592.9547 14553.9427 226.0655 -203411.1785 2443.3589 0.0000 0.0000 52125.1247 -109483.5353 299.5638 -161608.6599 -109124.6876 299.4319 -265.1319 -236.7491 761713.3382 12.4702 12.5789 PRESSURE: 2071600 208.748 5.38487 -115.731 5.38465 -220.361 73.4765 -115.731 73.4767 207.364 GPRESSURE: 2071600 190.176 -8.57268 -133.93 -113.404 -146.296 18.8221 -134.905 124.256 227.236 PRESSAVG: 2071600 -4.37891 43.9731 -21.113 43.9731 -3.2044 42.3435 -21.1131 42.3436 23.7662 GPRESSAVG: 2071600 -2.7785 42.0605 -18.7299 45.6818 -5.54246 43.4117 -19.5979 42.6537 24.2243 TIMING: 2071600 CPU: 6621.95, 0.00316129/step Wall: 6621.95, 0.00316129/step, 2.57153 hours remaining, 233.445312 MB of memory in use. ENERGY: 2071600 4024.6968 20562.7607 14497.6472 251.3193 -203514.3527 2631.3523 0.0000 0.0000 51981.8601 -109564.7162 298.7405 -161546.5763 -109202.9924 299.0271 65.2504 90.3722 761157.9088 5.3943 5.3011 PRESSURE: 2071800 -136.777 -206.712 63.537 -206.713 -511.92 -42.1567 63.5366 -42.157 -418.975 GPRESSURE: 2071800 -116.294 -149.431 77.2096 -190.043 -460.949 -66.2897 49.1279 -20.3424 -399.817 PRESSAVG: 2071800 34.5292 12.4349 19.988 12.4348 18.8471 -0.923848 19.988 -0.923872 -13.065 GPRESSAVG: 2071800 34.3776 12.0311 17.1381 11.648 19.6654 -1.46757 19.4601 0.897112 -13.7493 TIMING: 2071800 CPU: 6622.58, 0.00316803/step Wall: 6622.58, 0.00316803/step, 2.57684 hours remaining, 233.445312 MB of memory in use. ENERGY: 2071800 4037.4691 20466.5361 14406.5326 258.4154 -203228.1364 2430.5074 0.0000 0.0000 51995.5023 -109633.1736 298.8189 -161628.6759 -109265.2154 298.7896 -355.8908 -325.6870 762093.4689 13.4371 13.4312 PRESSURE: 2072000 131.929 -256.557 -51.5687 -256.558 -79.5306 2.84509 -51.5677 2.8449 -212.761 GPRESSURE: 2072000 87.5895 -262.648 -24.286 -189.878 9.98315 -54.8598 96.7117 65.5873 -187.66 PRESSAVG: 2072000 9.68985 -55.3191 14.618 -55.319 -0.600142 -21.1045 14.618 -21.1045 17.8092 GPRESSAVG: 2072000 8.90988 -54.3492 15.2335 -53.9602 -0.909619 -21.8146 15.2 -24.3953 19.0576 TIMING: 2072000 CPU: 6623.22, 0.00319474/step Wall: 6623.22, 0.00319474/step, 2.59838 hours remaining, 233.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 3942.2780 20472.7235 14600.7460 239.2647 -203387.4552 2352.5415 0.0000 0.0000 52097.0543 -109682.8471 299.4025 -161779.9014 -109309.1692 299.0862 -53.4541 -30.0291 760791.5820 8.9663 9.0193 PRESSURE: 2072200 -53.812 -237.799 -178.752 -237.798 221.82 -161.535 -178.752 -161.536 -320.189 GPRESSURE: 2072200 9.69132 -231.445 -140.366 -259.808 227.305 -259.171 -53.0135 -84.6107 -290.534 PRESSAVG: 2072200 -20.0685 34.4955 37.5243 34.4955 33.2435 20.0108 37.5243 20.0108 0.940676 GPRESSAVG: 2072200 -19.0607 33.7666 38.6888 32.0927 34.2763 20.7652 38.1922 22.8412 -0.841159 TIMING: 2072200 CPU: 6623.86, 0.00317448/step Wall: 6623.86, 0.00317448/step, 2.58174 hours remaining, 233.445312 MB of memory in use. ENERGY: 2072200 3990.9116 20533.9315 14509.9673 251.1414 -203376.7967 2428.8245 0.0000 0.0000 51839.7344 -109822.2860 297.9237 -161662.0204 -109467.7296 298.8081 -50.7269 -17.8459 760610.8085 4.7052 4.7915 LDB: ============= START OF LOAD BALANCING ============== 6636.28 LDB: ============== END OF LOAD BALANCING =============== 6636.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6636.28 LDB: ============= START OF LOAD BALANCING ============== 6636.6 LDB: Largest compute 7033 load 0.037831 is 19.4% of average load 0.195465 LDB: Average compute 0.004393 is 2.2% of average load 0.195465 LDB: TIME 6636.61 LOAD: AVG 0.195465 MAX 0.216427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.461 MB LDB: TIME 6636.61 LOAD: AVG 0.195465 MAX 0.216427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 6636.61 LOAD: AVG 0.195465 MAX 0.216427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 6636.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6636.61 PRESSURE: 2072400 283.022 -40.9054 -37.8768 -40.9057 89.9356 85.0909 -37.8764 85.0914 580.525 GPRESSURE: 2072400 190.302 -51.979 -77.4012 -4.24374 261.018 43.1698 -43.7323 115.786 601.693 PRESSAVG: 2072400 32.4672 -25.0305 17.0189 -25.0305 13.4037 -12.9628 17.0188 -12.9629 -0.0476579 GPRESSAVG: 2072400 31.6122 -24.8656 17.4743 -26.0023 12.7519 -14.6453 14.8263 -15.5455 0.730837 TIMING: 2072400 CPU: 6624.51, 0.00325917/step Wall: 6624.51, 0.00325917/step, 2.65043 hours remaining, 231.878906 MB of memory in use. ENERGY: 2072400 3994.4315 20404.9973 14575.2112 244.3313 -203796.2110 2842.2124 0.0000 0.0000 51905.9562 -109829.0710 298.3042 -161735.0273 -109460.1539 298.2878 317.8275 351.0043 759957.1173 15.2744 15.0317 PRESSURE: 2072600 -58.3191 -56.5029 -122.59 -56.5021 245.32 116.508 -122.59 116.508 -8.95736 GPRESSURE: 2072600 12.7836 -96.378 -136.597 4.84057 273.476 82.0419 -46.9767 134.643 -21.0422 PRESSAVG: 2072600 -18.2544 -22.1344 -17.9242 -22.1344 37.966 2.00446 -17.9242 2.00456 -7.31699 GPRESSAVG: 2072600 -17.4004 -21.6182 -18.5636 -21.4653 36.8569 3.02466 -17.7334 1.57135 -7.04427 TIMING: 2072600 CPU: 6625.14, 0.00317475/step Wall: 6625.14, 0.00317475/step, 2.5816 hours remaining, 232.078125 MB of memory in use. ENERGY: 2072600 3951.6673 20434.5073 14547.6125 269.4684 -203796.5087 2531.6219 0.0000 0.0000 52039.7285 -110021.9027 299.0730 -162061.6312 -109647.1395 298.1965 59.3480 88.4059 759869.5545 4.1315 4.1374 PRESSURE: 2072800 -94.613 -101.85 -83.0954 -101.85 -379.116 -328.636 -83.0955 -328.636 -99.2296 GPRESSURE: 2072800 20.1304 -65.2 -90.932 -159.56 -349.452 -271.864 -101.021 -162.457 -152.647 PRESSAVG: 2072800 16.6749 -10.4184 -57.9881 -10.4184 -3.15404 -8.8719 -57.9881 -8.87189 19.0573 GPRESSAVG: 2072800 15.3263 -10.7395 -57.9006 -9.19148 -2.10973 -8.40342 -58.3051 -7.56082 19.669 TIMING: 2072800 CPU: 6625.78, 0.00316441/step Wall: 6625.78, 0.00316441/step, 2.57302 hours remaining, 232.078125 MB of memory in use. ENERGY: 2072800 4010.1431 20620.2968 14531.3420 239.1427 -203316.4635 2238.3482 0.0000 0.0000 51778.3546 -109898.8360 297.5709 -161677.1906 -109539.0385 298.4111 -190.9863 -160.6562 761265.9327 10.8594 10.9619 PRESSURE: 2073000 59.2166 -30.325 -187.983 -30.3257 -428.302 177.774 -187.983 177.773 -397.258 GPRESSURE: 2073000 -5.79038 30.9205 -256.645 -195.536 -298.41 180.904 -262.242 162.205 -363.031 PRESSAVG: 2073000 28.1417 50.1432 -32.8036 50.1432 -12.0209 54.8237 -32.8035 54.8237 -2.17083 GPRESSAVG: 2073000 27.7918 50.814 -34.5355 46.9054 -12.056 54.7992 -30.1851 55.8061 -1.74042 TIMING: 2073000 CPU: 6626.41, 0.00319488/step Wall: 6626.41, 0.00319488/step, 2.59762 hours remaining, 232.078125 MB of memory in use. ENERGY: 2073000 4010.9577 20607.3926 14534.8404 242.3817 -203446.9442 2464.5997 0.0000 0.0000 51742.6305 -109844.1416 297.3656 -161586.7722 -109485.3557 298.3822 -255.4478 -222.4104 762627.3243 4.6500 4.6652 PRESSURE: 2073200 -263.926 56.7965 -86.1502 56.7963 140.878 -116.651 -86.1501 -116.651 321.056 GPRESSURE: 2073200 -80.8921 207.265 -98.8491 16.7221 141.655 -122.763 -141.13 -112.074 220.957 PRESSAVG: 2073200 8.23701 54.8095 12.5654 54.8095 -9.0338 -15.4909 12.5654 -15.4909 12.9925 GPRESSAVG: 2073200 9.47976 54.0306 13.3182 57.3312 -9.06468 -15.1557 10.8498 -16.1618 12.4274 TIMING: 2073200 CPU: 6627.05, 0.00317446/step Wall: 6627.05, 0.00317446/step, 2.58084 hours remaining, 232.078125 MB of memory in use. ENERGY: 2073200 3983.8832 20508.1665 14542.0088 230.6672 -203410.4450 2445.1521 0.0000 0.0000 51891.3633 -109809.2039 298.2204 -161700.5672 -109442.6184 298.7630 66.0022 93.9067 762085.0856 4.0652 4.2808 PRESSURE: 2073400 -233.104 -8.62097 -77.4505 -8.62059 -74.8278 -72.0277 -77.4501 -72.0273 -36.398 GPRESSURE: 2073400 -95.2405 -34.2864 -46.7183 -83.9018 -142.615 -119.319 -117.369 25.0137 -36.9944 PRESSAVG: 2073400 -17.7442 -2.94114 -18.669 -2.94115 0.0578161 7.38497 -18.6691 7.38495 12.7072 GPRESSAVG: 2073400 -18.0642 -1.72428 -18.051 -5.47891 -0.407317 5.48904 -17.4462 8.37032 13.1416 TIMING: 2073400 CPU: 6627.68, 0.00315685/step Wall: 6627.68, 0.00315685/step, 2.56634 hours remaining, 232.078125 MB of memory in use. ENERGY: 2073400 4009.0543 20365.8697 14541.8614 246.7817 -203367.4647 2448.8408 0.0000 0.0000 52014.7159 -109740.3410 298.9293 -161755.0568 -109365.6880 299.0046 -114.7767 -91.6166 761438.6181 -1.6597 -1.7767 PRESSURE: 2073600 -218.074 -42.9838 33.8838 -42.9833 232.589 9.8035 33.8838 9.80418 376.876 GPRESSURE: 2073600 -115.065 -94.299 -32.8988 -91.0553 182.419 50.6225 -48.711 2.83398 388.011 PRESSAVG: 2073600 50.2283 28.022 1.04896 28.0221 -27.8078 -5.7297 1.04896 -5.72967 8.43354 GPRESSAVG: 2073600 50.8385 26.5856 -0.558753 29.8313 -27.5899 -4.41891 0.901953 -7.9135 8.01832 TIMING: 2073600 CPU: 6628.31, 0.00313664/step Wall: 6628.31, 0.00313664/step, 2.54974 hours remaining, 232.078125 MB of memory in use. ENERGY: 2073600 3954.2359 20424.7985 14462.8123 246.5892 -203651.8469 2680.7016 0.0000 0.0000 52000.2849 -109882.4245 298.8464 -161882.7094 -109519.4238 298.7742 130.4639 151.7884 760965.9006 10.2847 10.4223 PRESSURE: 2073800 240.717 -17.5903 121.115 -17.5903 -218.321 13.2979 121.116 13.2979 354.458 GPRESSURE: 2073800 191.901 13.215 168.748 161.648 -128.219 11.6228 126.613 18.3007 430.901 PRESSAVG: 2073800 60.334 -25.7597 10.072 -25.7597 -37.0979 0.33687 10.0721 0.336923 6.55032 GPRESSAVG: 2073800 59.6623 -25.5139 11.3368 -25.291 -38.0169 0.466051 9.49504 1.53897 7.85764 TIMING: 2073800 CPU: 6628.94, 0.00316994/step Wall: 6628.94, 0.00316994/step, 2.57663 hours remaining, 232.078125 MB of memory in use. ENERGY: 2073800 3878.6021 20317.7116 14533.3500 243.6066 -202910.0000 2190.7686 0.0000 0.0000 51835.3824 -109910.5787 297.8987 -161745.9611 -109537.3641 298.9484 125.6178 164.8612 760549.2373 9.9288 9.8343 PRESSURE: 2074000 221.439 -19.2508 -148.261 -19.2506 -214.548 -22.9144 -148.261 -22.9148 -52.7977 GPRESSURE: 2074000 262.498 17.4273 -189.763 56.8947 -164.574 27.8137 -127.227 -49.7096 -51.4132 PRESSAVG: 2074000 38.1109 -60.8588 4.71112 -60.8588 -75.2447 32.0952 4.71108 32.0953 20.0516 GPRESSAVG: 2074000 38.0799 -60.6192 4.71471 -60.4586 -74.5366 33.2634 5.20526 31.8914 19.6143 TIMING: 2074000 CPU: 6629.57, 0.00316215/step Wall: 6629.57, 0.00316215/step, 2.57012 hours remaining, 232.078125 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: 2074000 3889.5337 20454.1897 14525.4335 225.2508 -203104.6179 2257.8436 0.0000 0.0000 51696.3557 -110056.0109 297.0997 -161752.3667 -109696.4105 298.3625 -15.3021 15.5038 759431.2598 -5.6941 -5.6141 PRESSURE: 2074200 -129.804 -48.7672 24.5282 -48.7671 7.74322 -68.6945 24.5287 -68.6939 -135.361 GPRESSURE: 2074200 -72.5293 -38.9639 -98.5457 -58.3421 44.3334 -99.7479 117.452 13.9323 -122.986 PRESSAVG: 2074200 15.189 -16.0885 1.31081 -16.0885 -31.6059 27.903 1.31077 27.903 10.5875 GPRESSAVG: 2074200 15.4679 -15.6735 0.471952 -16.1013 -31.4939 26.9871 1.29344 29.593 10.5417 TIMING: 2074200 CPU: 6630.21, 0.00316589/step Wall: 6630.21, 0.00316589/step, 2.57299 hours remaining, 232.078125 MB of memory in use. ENERGY: 2074200 3999.7321 20364.7062 14472.1634 245.1138 -203309.2567 2497.6375 0.0000 0.0000 51953.4309 -109776.4727 298.5771 -161729.9037 -109422.4236 298.2732 -85.8073 -50.3939 761258.6450 -1.9431 -1.8281 PRESSURE: 2074400 37.1543 -384.024 -118.991 -384.024 92.4224 -58.9178 -118.991 -58.917 266.455 GPRESSURE: 2074400 116.319 -341.72 -19.1499 -366.736 172.165 -10.0809 -65.4926 -65.403 202.09 PRESSAVG: 2074400 35.9033 -69.7354 16.9134 -69.7354 -7.49337 12.1536 16.9134 12.1537 10.8669 GPRESSAVG: 2074400 35.9364 -70.5359 18.6564 -70.6759 -7.43971 13.0124 15.4959 10.3146 10.6036 TIMING: 2074400 CPU: 6630.84, 0.00316371/step Wall: 6630.84, 0.00316371/step, 2.57104 hours remaining, 232.078125 MB of memory in use. ENERGY: 2074400 3983.5942 20630.2886 14416.4335 232.0117 -203554.3286 2575.1394 0.0000 0.0000 51924.4842 -109792.3770 298.4107 -161716.8613 -109430.7888 298.7354 132.0105 163.5246 761044.1782 13.0923 13.0334 PRESSURE: 2074600 97.5353 109.11 -184.065 109.11 270.006 -143.238 -184.064 -143.238 -65.078 GPRESSURE: 2074600 88.0983 94.9047 -254.407 162.792 331.247 -229.124 -89.0784 -43.389 -31.6239 PRESSAVG: 2074600 5.25318 -87.5189 -16.9306 -87.5189 -48.4031 3.01173 -16.9305 3.0117 -16.9856 GPRESSAVG: 2074600 5.3905 -86.7078 -17.9682 -86.8435 -47.3447 2.46843 -16.5122 2.83631 -17.4196 TIMING: 2074600 CPU: 6631.48, 0.00317773/step Wall: 6631.48, 0.00317773/step, 2.58226 hours remaining, 232.078125 MB of memory in use. ENERGY: 2074600 4001.3315 20623.8451 14430.9417 237.9629 -203968.3371 2621.7868 0.0000 0.0000 52209.5332 -109842.9360 300.0489 -162052.4692 -109482.4010 298.4672 100.8212 129.2403 760106.7369 -20.0452 -19.7913 PRESSURE: 2074800 120.445 -65.8209 -21.4757 -65.8202 113.768 49.3916 -21.4752 49.3927 116.735 GPRESSURE: 2074800 166.36 -96.5911 58.1669 80.7969 198.635 170.358 35.402 10.378 78.2099 PRESSAVG: 2074800 51.927 -50.1541 36.3876 -50.1541 7.46312 -20.1423 36.3875 -20.1423 23.3192 GPRESSAVG: 2074800 52.7325 -51.4023 36.1883 -49.834 6.02654 -20.7944 36.4847 -18.3086 24.0754 TIMING: 2074800 CPU: 6632.11, 0.00318514/step Wall: 6632.11, 0.00318514/step, 2.58811 hours remaining, 232.078125 MB of memory in use. ENERGY: 2074800 3982.5226 20494.3206 14433.2312 267.7328 -203673.9330 2706.1122 0.0000 0.0000 52012.4538 -109777.5599 298.9163 -161790.0137 -109426.6631 298.5954 116.9828 147.7349 759975.8042 27.5698 27.6115 PRESSURE: 2075000 -371.442 118.993 -35.8418 118.992 -121.109 129.382 -35.8414 129.383 -593.003 GPRESSURE: 2075000 -191.028 136.616 11.7333 183.123 -206.912 128.794 42.6452 185.715 -595.919 PRESSAVG: 2075000 -32.1136 -9.57916 7.97425 -9.57914 25.4622 5.18671 7.97431 5.18674 -41.919 GPRESSAVG: 2075000 -32.0558 -7.027 8.27705 -11.4579 25.6471 4.72375 9.39804 5.52805 -42.6704 TIMING: 2075000 CPU: 6632.75, 0.00317139/step Wall: 6632.75, 0.00317139/step, 2.57675 hours remaining, 232.078125 MB of memory in use. ENERGY: 2075000 4061.0066 20427.8511 14480.2134 246.1704 -203098.9077 2457.9146 0.0000 0.0000 51984.3253 -109441.4263 298.7546 -161425.7516 -109069.0090 299.1993 -361.8512 -331.2866 759750.7434 -16.1901 -16.3597 PRESSURE: 2075200 -74.6505 -96.8253 -48.204 -96.8249 102.234 -75.991 -48.2042 -75.9911 -469.881 GPRESSURE: 2075200 10.1214 -76.7661 -81.3237 -26.9842 87.0323 -42.3439 34.7486 33.2773 -456.887 PRESSAVG: 2075200 -1.7783 -11.9995 47.1852 -11.9995 -33.5002 -28.3009 47.1852 -28.3008 -0.671506 GPRESSAVG: 2075200 -2.40032 -13.6782 46.5138 -11.3164 -34.5 -29.0492 47.2711 -28.7475 0.652283 TIMING: 2075200 CPU: 6633.38, 0.00317903/step Wall: 6633.38, 0.00317903/step, 2.58278 hours remaining, 232.078125 MB of memory in use. ENERGY: 2075200 3978.1528 20557.6916 14587.2533 240.6033 -203143.9042 2350.2795 0.0000 0.0000 52073.2049 -109356.7189 299.2654 -161429.9238 -108995.6337 299.6763 -147.4327 -119.9112 760583.9204 -11.9833 -12.0827 PRESSURE: 2075400 -10.1503 16.0268 70.8566 16.0263 111.096 12.4562 70.8569 12.4562 31.913 GPRESSURE: 2075400 1.1636 58.1061 134.442 83.6205 162.009 -45.804 114.379 -136.465 78.1816 PRESSAVG: 2075400 -61.7647 -42.7766 44.448 -42.7766 40.1095 -29.855 44.448 -29.8549 0.24718 GPRESSAVG: 2075400 -62.3363 -42.3369 45.6903 -43.9926 40.5563 -30.2233 42.564 -29.4206 0.666595 TIMING: 2075400 CPU: 6634.02, 0.00316945/step Wall: 6634.02, 0.00316945/step, 2.57482 hours remaining, 232.078125 MB of memory in use. ENERGY: 2075400 3981.8590 20460.7142 14515.6400 256.1438 -202511.8608 2062.3033 0.0000 0.0000 51867.9301 -109367.2704 298.0857 -161235.2005 -109014.2455 299.6752 44.2864 80.4513 761831.6357 -7.1360 -7.0378 PRESSURE: 2075600 -382.25 89.7258 43.9101 89.7259 -222.733 -39.0022 43.9109 -39.0007 199.7 GPRESSURE: 2075600 -295.673 -71.7966 28.1161 -66.8726 -154.441 0.38401 -63.5178 36.7817 119.17 PRESSAVG: 2075600 -47.2271 -30.7707 13.1078 -30.7707 30.6785 -15.2653 13.1078 -15.2654 -23.1132 GPRESSAVG: 2075600 -46.2474 -32.7175 11.6446 -29.7443 31.1349 -16.3514 14.4772 -16.2098 -24.0099 TIMING: 2075600 CPU: 6634.65, 0.0031783/step Wall: 6634.65, 0.0031783/step, 2.58184 hours remaining, 232.078125 MB of memory in use. ENERGY: 2075600 3943.4115 20639.8178 14563.5956 258.3378 -202954.9016 2193.4797 0.0000 0.0000 52181.1470 -109175.1120 299.8858 -161356.2591 -108818.1139 300.4087 -135.0941 -110.3148 759939.6800 -13.2206 -13.0408 PRESSURE: 2075800 -176.889 2.59587 -26.6668 2.59652 -423.833 -12.0961 -26.6658 -12.095 -185.04 GPRESSURE: 2075800 -191.325 46.2365 -3.13687 1.9716 -362.786 -31.4698 -2.12671 38.6402 -139.95 PRESSAVG: 2075800 -41.4049 -20.3998 45.6948 -20.3998 40.1118 -8.29274 45.6948 -8.29273 -14.016 GPRESSAVG: 2075800 -42.229 -22.041 45.7485 -19.6736 39.5288 -5.91002 47.0933 -8.09179 -13.0006 TIMING: 2075800 CPU: 6635.29, 0.00319626/step Wall: 6635.29, 0.00319626/step, 2.59625 hours remaining, 232.078125 MB of memory in use. ENERGY: 2075800 4077.8362 20607.1393 14575.6197 270.8136 -203391.1213 2539.5769 0.0000 0.0000 52257.2549 -109062.8807 300.3232 -161320.1356 -108709.2469 300.7716 -261.9211 -231.3536 759928.1223 -5.1030 -5.2336 PRESSURE: 2076000 -11.5122 -127.933 -294.685 -127.933 159.153 -145.981 -294.686 -145.981 -48.7413 GPRESSURE: 2076000 5.18261 -127.95 -332.888 -124.857 264.651 -77.087 -245.897 -109.981 -65.3061 PRESSAVG: 2076000 23.7234 -41.8668 9.8398 -41.8669 0.904528 50.5175 9.83979 50.5176 -9.4709 GPRESSAVG: 2076000 23.1936 -38.2436 10.8956 -43.2646 3.47857 50.8001 7.57408 50.7974 -11.0865 TIMING: 2076000 CPU: 6635.92, 0.00316012/step Wall: 6635.92, 0.00316012/step, 2.56672 hours remaining, 232.078125 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: 2076000 3987.1610 20457.2387 14451.1353 245.1400 -203401.3867 2670.7210 0.0000 0.0000 52195.9146 -109394.0761 299.9706 -161589.9907 -109032.8411 300.2877 32.9666 68.1757 759341.2347 5.0523 5.1952 PRESSURE: 2076200 161.748 -171.442 -394.131 -171.441 -86.1072 -51.9396 -394.13 -51.9385 403.289 GPRESSURE: 2076200 198.973 -118.915 -343.452 -252.092 -5.87073 -42.3625 -428.345 20.5272 354.94 PRESSAVG: 2076200 1.05908 -13.7843 -12.1066 -13.7842 5.91653 22.192 -12.1066 22.192 5.5006 GPRESSAVG: 2076200 1.91678 -11.7059 -14.3532 -13.3499 4.83899 20.6445 -11.8493 20.9356 5.48521 TIMING: 2076200 CPU: 6636.56, 0.00316687/step Wall: 6636.56, 0.00316687/step, 2.57202 hours remaining, 232.078125 MB of memory in use. ENERGY: 2076200 4004.6229 20543.8887 14492.9450 268.1174 -203573.0543 2626.6202 0.0000 0.0000 52314.1825 -109322.6776 300.6503 -161636.8601 -108949.0704 299.9163 159.6430 182.6807 760083.3757 4.1587 4.0803 LDB: ============= START OF LOAD BALANCING ============== 6648.98 LDB: ============== END OF LOAD BALANCING =============== 6648.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6648.98 LDB: ============= START OF LOAD BALANCING ============== 6649.3 LDB: Largest compute 7031 load 0.034862 is 17.8% of average load 0.195358 LDB: Average compute 0.004408 is 2.3% of average load 0.195358 LDB: TIME 6649.3 LOAD: AVG 0.195358 MAX 0.214713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.453 MB LDB: TIME 6649.3 LOAD: AVG 0.195358 MAX 0.214713 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.477 MB LDB: TIME 6649.3 LOAD: AVG 0.195358 MAX 0.214713 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.477 MB LDB: ============== END OF LOAD BALANCING =============== 6649.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6649.31 PRESSURE: 2076400 -217.935 -132.612 -51.4889 -132.613 -162.351 188.991 -51.4895 188.991 29.0135 GPRESSURE: 2076400 -197.342 -148.682 89.7165 -286.083 -89.5836 86.3149 -101.187 98.2813 31.2924 PRESSAVG: 2076400 18.4758 -60.3829 -11.3254 -60.383 5.59949 -10.455 -11.3254 -10.455 16.5536 GPRESSAVG: 2076400 17.9844 -62.8418 -9.29148 -60.6983 4.91351 -10.006 -12.3098 -7.19663 17.2032 TIMING: 2076400 CPU: 6637.21, 0.00323649/step Wall: 6637.21, 0.00323649/step, 2.62839 hours remaining, 231.882812 MB of memory in use. ENERGY: 2076400 4042.2526 20517.1265 14423.6717 234.1516 -203200.5755 2388.9394 0.0000 0.0000 52265.3908 -109329.0428 300.3699 -161594.4337 -108960.8001 299.9642 -117.0909 -85.2112 761025.6496 13.5429 13.3670 PRESSURE: 2076600 219.369 -365.388 -225.981 -365.389 -20.7624 -83.8172 -225.98 -83.8177 -78.4494 GPRESSURE: 2076600 195.401 -351.678 -143.09 -228.956 21.4068 -64.0013 -186.978 -136.971 -28.2967 PRESSAVG: 2076600 22.4734 -34.1417 -23.3369 -34.1416 20.6173 5.02324 -23.3369 5.02322 -15.4558 GPRESSAVG: 2076600 23.1023 -35.2515 -23.3119 -32.8284 19.5301 5.67237 -22.5227 1.4701 -14.8804 TIMING: 2076600 CPU: 6637.84, 0.00317003/step Wall: 6637.84, 0.00317003/step, 2.57424 hours remaining, 231.882812 MB of memory in use. ENERGY: 2076600 4025.4622 20455.6114 14480.2707 245.1739 -203640.4550 2809.1956 0.0000 0.0000 52200.7082 -109424.0330 299.9982 -161624.7412 -109064.5198 299.9825 40.0524 62.8369 760462.3790 9.2117 9.2507 PRESSURE: 2076800 239.058 3.14168 211.358 3.14195 131.505 -68.0126 211.359 -68.0141 -24.9258 GPRESSURE: 2076800 205.147 48.0617 175.759 -85.6392 207.271 24.7045 177.033 3.18164 12.3989 PRESSAVG: 2076800 -35.8294 -18.9531 -45.8546 -18.9531 -15.9936 2.61911 -45.8546 2.61908 -25.4338 GPRESSAVG: 2076800 -35.9566 -19.2841 -45.8564 -19.1552 -15.6485 2.04039 -46.894 2.74236 -25.911 TIMING: 2076800 CPU: 6638.47, 0.00317684/step Wall: 6638.47, 0.00317684/step, 2.5796 hours remaining, 231.882812 MB of memory in use. ENERGY: 2076800 3986.6458 20610.3005 14518.1481 255.4263 -203302.0815 2587.0949 0.0000 0.0000 51961.6388 -109382.8271 298.6243 -161344.4660 -109022.6256 298.8970 115.2123 141.6056 762717.7782 -25.7523 -25.8387 PRESSURE: 2077000 -24.269 -56.086 -90.0933 -56.0866 -151.586 -66.4382 -90.093 -66.4377 88.2499 GPRESSURE: 2077000 52.935 30.6027 -139.552 4.01594 -74.2539 -38.5938 -65.8731 24.699 21.3725 PRESSAVG: 2077000 106.33 -48.5013 62.0097 -48.5015 -113.56 -0.280973 62.0097 -0.280966 10.4213 GPRESSAVG: 2077000 106.829 -45.5123 62.9267 -48.4396 -113.397 1.17585 63.9568 1.24841 9.8835 TIMING: 2077000 CPU: 6639.11, 0.00316962/step Wall: 6639.11, 0.00316962/step, 2.57355 hours remaining, 231.882812 MB of memory in use. ENERGY: 2077000 3931.7609 20515.8695 14465.5506 260.0713 -203233.6253 2597.4847 0.0000 0.0000 52072.1212 -109390.7671 299.2592 -161462.8883 -109016.4034 299.7037 -29.2018 0.0179 763234.8560 1.0637 1.1051 PRESSURE: 2077200 80.8629 -85.9391 63.4082 -85.9397 133.944 74.6488 63.408 74.649 -1.52411 GPRESSURE: 2077200 93.5533 -26.3209 101.369 -27.8024 191.122 31.4145 142.276 -5.86282 12.6722 PRESSAVG: 2077200 39.8413 -65.3081 3.19485 -65.3082 -26.8612 8.71925 3.19482 8.71927 24.2893 GPRESSAVG: 2077200 38.26 -67.0828 1.65487 -66.0224 -26.0323 9.21179 2.81382 8.30872 25.306 TIMING: 2077200 CPU: 6639.74, 0.00317089/step Wall: 6639.74, 0.00317089/step, 2.57441 hours remaining, 231.882812 MB of memory in use. ENERGY: 2077200 3949.7302 20544.2719 14481.1434 238.2767 -203735.8292 2703.6727 0.0000 0.0000 52267.0489 -109551.6854 300.3794 -161818.7343 -109184.6144 299.7153 71.0944 99.1157 761677.9930 12.4231 12.5112 PRESSURE: 2077400 263.465 -258.128 77.8273 -258.127 1.6858 10.5045 77.8287 10.5037 -130.559 GPRESSURE: 2077400 444.042 -128.434 152.121 -304.583 -72.4954 -21.2809 54.1243 -16.0439 -140.836 PRESSAVG: 2077400 -38.2068 -85.3423 31.766 -85.3423 -27.2917 44.8381 31.7661 44.8383 0.906754 GPRESSAVG: 2077400 -36.5505 -86.1829 32.8212 -83.6332 -28.6436 43.2448 30.891 43.9397 0.561858 TIMING: 2077400 CPU: 6640.37, 0.00316103/step Wall: 6640.37, 0.00316102/step, 2.56623 hours remaining, 231.882812 MB of memory in use. ENERGY: 2077400 3980.3412 20509.7432 14471.9807 238.9604 -203736.4937 2791.5767 0.0000 0.0000 52189.2615 -109554.6298 299.9324 -161743.8914 -109195.9008 299.3251 44.8638 76.9034 760059.6562 -21.5306 -21.5441 PRESSURE: 2077600 462.279 22.6063 55.9266 22.6064 614.254 125.801 55.926 125.8 146.733 GPRESSURE: 2077600 434.433 -61.994 40.5769 8.26189 572.322 81.7565 191.771 73.3192 316.292 PRESSAVG: 2077600 40.2454 -91.5396 -15.56 -91.5396 31.6496 58.3752 -15.56 58.3753 7.62647 GPRESSAVG: 2077600 40.2193 -91.0103 -15.8289 -93.2296 31.9206 58.8279 -15.4288 59.4515 7.28648 TIMING: 2077600 CPU: 6641.01, 0.00315448/step Wall: 6641.01, 0.00315448/step, 2.56073 hours remaining, 231.882812 MB of memory in use. ENERGY: 2077600 4052.3666 20514.6963 14493.3761 206.1152 -203741.4216 2847.1186 0.0000 0.0000 52262.5036 -109365.2452 300.3533 -161627.7488 -109004.3528 299.3568 407.7552 441.0155 761241.5268 26.5071 26.4754 PRESSURE: 2077800 -47.2051 103.257 -156.734 103.257 -33.4511 146.969 -156.734 146.969 329.006 GPRESSURE: 2077800 -27.1596 11.6894 -136.728 13.0747 24.6689 164.604 -80.4799 140.653 343.01 PRESSAVG: 2077800 18.6354 -11.622 -47.3777 -11.6219 9.64405 -46.6379 -47.3778 -46.6379 -9.74605 GPRESSAVG: 2077800 18.3465 -12.2966 -47.6539 -12.9981 9.21561 -47.5537 -44.7392 -48.3224 -9.09104 TIMING: 2077800 CPU: 6641.64, 0.00314951/step Wall: 6641.64, 0.00314951/step, 2.55653 hours remaining, 231.882812 MB of memory in use. ENERGY: 2077800 4041.0052 20541.3110 14508.1905 259.0123 -203213.7879 2479.9173 0.0000 0.0000 52198.5617 -109185.7898 299.9859 -161384.3515 -108821.4607 300.2401 82.7834 113.5066 761250.1456 6.1778 6.1570 PRESSURE: 2078000 -140.197 -227.971 37.2487 -227.971 216.131 -35.1364 37.2484 -35.1391 -22.5947 GPRESSURE: 2078000 -138.027 -118.452 36.4915 -277.073 262.839 2.75609 -168.744 -116.699 15.4168 PRESSAVG: 2078000 44.8316 -78.1103 -27.4117 -78.1103 -9.30172 26.9991 -27.4117 26.9991 20.5945 GPRESSAVG: 2078000 44.9048 -76.009 -27.6019 -77.9032 -8.33193 27.0928 -28.2137 28.831 19.3738 TIMING: 2078000 CPU: 6642.27, 0.00317731/step Wall: 6642.27, 0.00317731/step, 2.57892 hours remaining, 231.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 3993.8703 20570.9106 14514.3858 242.1655 -203514.8517 2820.5775 0.0000 0.0000 52182.5045 -109190.4374 299.8936 -161372.9419 -108818.9716 300.1470 17.7795 46.7430 760988.0379 18.7081 18.6489 PRESSURE: 2078200 84.8133 32.8475 -50.9721 32.848 40.2794 -113.972 -50.972 -113.972 372.635 GPRESSURE: 2078200 141.019 22.0712 20.9669 16.2676 39.7998 -153.887 17.7367 -101.457 416.566 PRESSAVG: 2078200 7.2851 -54.5038 58.6525 -54.5037 17.4129 -33.8374 58.6525 -33.8374 15.9193 GPRESSAVG: 2078200 7.39664 -57.4107 57.5065 -52.6178 16.0177 -34.0654 59.5979 -33.7937 16.6688 TIMING: 2078200 CPU: 6642.9, 0.00315067/step Wall: 6642.9, 0.00315067/step, 2.55712 hours remaining, 231.882812 MB of memory in use. ENERGY: 2078200 3982.8930 20581.1278 14436.4143 242.6475 -203298.1441 2771.9863 0.0000 0.0000 52193.7788 -109089.2962 299.9584 -161283.0750 -108735.7933 300.2651 165.9091 199.1282 761699.1802 13.5391 13.3611 PRESSURE: 2078400 82.2621 146.712 -115.796 146.713 168.261 -69.1485 -115.796 -69.1483 2.8974 GPRESSURE: 2078400 101.44 39.2808 -146.001 126.696 209.365 -132.229 -112.185 -47.5858 30.9831 PRESSAVG: 2078400 8.33594 -13.5424 -9.34559 -13.5423 0.060439 29.7154 -9.34558 29.7153 6.76182 GPRESSAVG: 2078400 7.82416 -11.4021 -8.57475 -14.8718 0.546116 30.1946 -10.6206 28.3965 6.30123 TIMING: 2078400 CPU: 6643.54, 0.00317523/step Wall: 6643.54, 0.00317523/step, 2.57688 hours remaining, 231.882812 MB of memory in use. ENERGY: 2078400 3998.0204 20631.8440 14461.5699 246.1535 -203375.8273 2572.5583 0.0000 0.0000 52219.4958 -109246.1853 300.1062 -161465.6811 -108877.0589 299.9781 84.4735 113.9291 761713.0488 5.0527 4.8905 PRESSURE: 2078600 -6.74415 76.9933 70.4075 76.9938 -46.8319 133.914 70.4082 133.915 -247.735 GPRESSURE: 2078600 -53.2065 -17.3189 18.1563 102.332 -12.2847 221.664 34.1725 39.154 -148.402 PRESSAVG: 2078600 1.11792 -51.5969 -28.1315 -51.5969 -5.47661 13.6366 -28.1315 13.6366 10.1544 GPRESSAVG: 2078600 0.591441 -55.0718 -27.4128 -51.4132 -5.51683 14.8441 -30.8313 13.27 10.5389 TIMING: 2078600 CPU: 6644.17, 0.00316647/step Wall: 6644.17, 0.00316647/step, 2.56959 hours remaining, 231.882812 MB of memory in use. ENERGY: 2078600 3977.1708 20321.4307 14471.4949 251.7006 -203083.9777 2646.5834 0.0000 0.0000 52085.6899 -109329.9073 299.3372 -161415.5972 -108966.3146 299.5989 -100.4369 -71.2978 762094.8813 1.9319 1.8712 PRESSURE: 2078800 -186.639 81.8241 147.238 81.8235 -238.563 -82.296 147.238 -82.2954 -59.8832 GPRESSURE: 2078800 -163.513 161.278 95.5628 64.9494 -198.263 -86.9731 -0.666064 -108.707 -47.3445 PRESSAVG: 2078800 22.9984 -38.3101 -0.608993 -38.3101 -3.00269 11.8039 -0.609036 11.804 20.1111 GPRESSAVG: 2078800 23.8313 -34.3711 0.497508 -38.6351 -4.18231 10.6245 -0.417596 13.576 20.5593 TIMING: 2078800 CPU: 6644.8, 0.00316604/step Wall: 6644.8, 0.00316604/step, 2.56907 hours remaining, 231.882812 MB of memory in use. ENERGY: 2078800 4008.8283 20412.0177 14445.7567 250.0854 -203374.2996 2816.8390 0.0000 0.0000 52133.7852 -109306.9872 299.6136 -161440.7724 -108935.2878 299.5014 -161.6949 -136.3735 762096.9480 13.3689 13.4028 PRESSURE: 2079000 -24.5909 -99.475 54.8022 -99.4755 -49.0071 -30.5128 54.8027 -30.5124 -228.074 GPRESSURE: 2079000 -35.4783 -96.5062 -23.1672 -71.2028 -21.5976 -15.0453 88.4797 -119.445 -159.888 PRESSAVG: 2079000 -14.0549 -37.0656 19.4156 -37.0656 13.7042 55.116 19.4156 55.1159 -10.2656 GPRESSAVG: 2079000 -14.1279 -36.5259 19.0751 -36.2767 14.2963 55.1672 20.3933 55.3948 -11.7586 TIMING: 2079000 CPU: 6645.44, 0.0031799/step Wall: 6645.44, 0.0031799/step, 2.58013 hours remaining, 231.882812 MB of memory in use. ENERGY: 2079000 4035.2742 20440.0973 14481.2904 261.8146 -203579.8764 2855.0303 0.0000 0.0000 52067.3320 -109439.0375 299.2317 -161506.3696 -109083.9798 299.8321 -100.5575 -72.3213 761103.9887 -3.5388 -3.8634 PRESSURE: 2079200 -62.9572 15.2433 -24.909 15.2434 -60.4999 178.962 -24.9099 178.961 0.237596 GPRESSURE: 2079200 0.839155 -15.4599 -77.1592 36.1484 -48.0468 218.862 145.153 37.1516 -7.3694 PRESSAVG: 2079200 -53.0572 -32.3626 -24.5727 -32.3626 48.3188 -28.5767 -24.5726 -28.5767 28.2477 GPRESSAVG: 2079200 -54.3027 -32.3378 -22.986 -33.2824 49.2755 -28.8811 -24.5264 -30.4828 28.4124 TIMING: 2079200 CPU: 6646.07, 0.00317835/step Wall: 6646.07, 0.00317835/step, 2.5787 hours remaining, 231.882812 MB of memory in use. ENERGY: 2079200 4037.6270 20456.4360 14518.7112 269.2657 -203518.3820 2702.6240 0.0000 0.0000 52308.7337 -109224.9843 300.6190 -161533.7180 -108872.2886 299.6550 -41.0732 -18.1923 763553.5350 7.8364 7.7951 PRESSURE: 2079400 -199.817 67.9451 -58.2184 67.945 -220.128 -166.894 -58.2176 -166.894 179.231 GPRESSURE: 2079400 -254.838 53.9667 6.3269 132.381 -189.113 -151.015 -77.2335 -272.75 263.077 PRESSAVG: 2079400 15.6901 -30.4191 1.40929 -30.4191 15.9576 -17.0936 1.40925 -17.0937 15.2159 GPRESSAVG: 2079400 16.1537 -31.7105 -0.150738 -29.0023 15.0042 -17.3655 2.85122 -16.9656 16.3068 TIMING: 2079400 CPU: 6646.71, 0.00316508/step Wall: 6646.71, 0.00316508/step, 2.56776 hours remaining, 231.882812 MB of memory in use. ENERGY: 2079400 4101.0844 20511.6556 14443.2329 235.4475 -203423.0671 2546.5756 0.0000 0.0000 52254.7381 -109330.3331 300.3087 -161585.0712 -108967.9195 299.8660 -80.2380 -60.2916 762001.6710 15.6212 15.8215 PRESSURE: 2079600 -199.926 -48.6275 -88.3499 -48.6276 -51.2682 -132.892 -88.3499 -132.893 -228.176 GPRESSURE: 2079600 -139.603 82.8224 -55.471 -39.5566 25.5089 -86.9246 -76.3538 -104.86 -283.357 PRESSAVG: 2079600 66.1393 -59.0003 -7.11255 -59.0003 -35.5202 -14.3241 -7.11253 -14.3241 -0.181544 GPRESSAVG: 2079600 66.5223 -57.4202 -8.80983 -59.1541 -35.3067 -13.8562 -7.21091 -14.0693 -1.18281 TIMING: 2079600 CPU: 6647.34, 0.0031811/step Wall: 6647.34, 0.0031811/step, 2.58058 hours remaining, 231.882812 MB of memory in use. ENERGY: 2079600 4041.3744 20569.1645 14531.0358 247.7078 -203266.5791 2396.4485 0.0000 0.0000 52187.5108 -109293.3373 299.9223 -161480.8481 -108935.5467 300.0418 -159.7902 -132.4835 761250.3366 10.1459 10.0109 PRESSURE: 2079800 173.032 -102.66 -86.469 -102.662 -169.555 -6.11685 -86.4695 -6.11713 -142.142 GPRESSURE: 2079800 191.502 -157.174 -99.9304 -65.6897 -151.14 -34.0109 -45.5534 174.172 -105.241 PRESSAVG: 2079800 38.864 -40.4207 -15.4999 -40.4207 -10.9532 -10.9314 -15.4999 -10.9315 -7.0463 GPRESSAVG: 2079800 39.5609 -41.9999 -13.2001 -41.534 -11.9302 -9.40576 -16.307 -8.28043 -6.76103 TIMING: 2079800 CPU: 6647.98, 0.00318936/step Wall: 6647.98, 0.00318936/step, 2.58711 hours remaining, 231.882812 MB of memory in use. ENERGY: 2079800 3945.2703 20540.3218 14538.6035 241.9045 -203398.3877 2586.2462 0.0000 0.0000 51963.7975 -109582.2439 298.6367 -161546.0413 -109215.7919 299.4816 -46.2218 -21.6266 761485.1977 6.9548 6.9565 PRESSURE: 2080000 -33.7433 -88.0688 133.914 -88.0692 -323.157 72.1909 133.915 72.1909 -272.825 GPRESSURE: 2080000 -46.4654 -58.9125 163.211 -94.153 -254.667 -7.80419 157.262 122.831 -254.475 PRESSAVG: 2080000 22.3104 -10.7383 -6.39352 -10.7383 -50.2948 -34.0386 -6.39348 -34.0386 5.35256 GPRESSAVG: 2080000 21.2754 -10.2699 -5.78119 -10.0026 -49.9412 -35.9255 -7.13252 -36.2855 5.43534 TIMING: 2080000 CPU: 6648.61, 0.00316321/step Wall: 6648.61, 0.00316321/step, 2.56572 hours remaining, 231.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 3904.3114 20408.7362 14537.8111 247.4425 -203325.6542 2473.6266 0.0000 0.0000 52166.3398 -109587.3866 299.8007 -161753.7264 -109221.8914 299.3277 -209.9084 -185.2024 762306.0028 -7.5439 -7.7435 PRESSURE: 2080200 101.752 -187.189 -164.373 -187.191 -209.708 5.7479 -164.374 5.74657 -283.381 GPRESSURE: 2080200 73.9516 -103.803 -149.54 -73.9029 -125.011 -37.9879 16.2964 -0.932067 -264.35 PRESSAVG: 2080200 -0.980386 -43.8221 -56.6432 -43.8221 -13.4712 33.8425 -56.6432 33.8425 5.50048 GPRESSAVG: 2080200 -1.42632 -44.6528 -57.9302 -44.6724 -13.5244 34.4268 -54.8044 33.8622 5.8455 TIMING: 2080200 CPU: 6649.25, 0.00318142/step Wall: 6649.25, 0.00318142/step, 2.58031 hours remaining, 231.882812 MB of memory in use. ENERGY: 2080200 3946.2925 20509.3555 14437.9888 263.4177 -203232.7311 2484.1414 0.0000 0.0000 52008.3782 -109583.1571 298.8929 -161591.5353 -109220.4994 299.3118 -130.4457 -105.1364 760864.7436 -2.9837 -3.0351 LDB: ============= START OF LOAD BALANCING ============== 6661.68 LDB: ============== END OF LOAD BALANCING =============== 6661.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6661.68 LDB: ============= START OF LOAD BALANCING ============== 6661.99 LDB: Largest compute 7031 load 0.036429 is 18.6% of average load 0.195522 LDB: Average compute 0.004390 is 2.2% of average load 0.195522 LDB: TIME 6662 LOAD: AVG 0.195522 MAX 0.217537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.199 MB LDB: TIME 6662 LOAD: AVG 0.195522 MAX 0.217537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: TIME 6662 LOAD: AVG 0.195522 MAX 0.217537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.199 MB LDB: ============== END OF LOAD BALANCING =============== 6662 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6662 PRESSURE: 2080400 -333.905 -73.5777 22.1153 -73.5784 -34.2515 51.8889 22.1158 51.8878 130.224 GPRESSURE: 2080400 -260.964 -166.386 26.7614 -107.222 33.9371 69.0199 -149.069 61.3212 67.5579 PRESSAVG: 2080400 25.869 12.4946 -6.75646 12.4946 -30.335 2.28946 -6.75652 2.2894 1.11071 GPRESSAVG: 2080400 26.6034 11.0866 -5.03574 15.256 -30.0807 3.24198 -7.21066 -0.584483 0.136401 TIMING: 2080400 CPU: 6649.9, 0.00323538/step Wall: 6649.9, 0.00323538/step, 2.62389 hours remaining, 232.128906 MB of memory in use. ENERGY: 2080400 3985.0775 20427.0554 14526.7969 241.2389 -203544.3371 2571.8848 0.0000 0.0000 52277.3211 -109514.9625 300.4385 -161792.2836 -109148.6039 299.3016 -79.3108 -53.1562 760964.4324 -1.1184 -1.1136 PRESSURE: 2080600 -92.2702 -381.034 3.25316 -381.034 -349.922 213.567 3.25339 213.567 247.903 GPRESSURE: 2080600 -30.4491 -389.365 107.545 -236.448 -312.12 206.043 14.8101 101.389 248.49 PRESSAVG: 2080600 -6.12557 -61.105 2.75034 -61.105 34.3174 -2.86521 2.75034 -2.86526 -23.5503 GPRESSAVG: 2080600 -6.07513 -58.4557 2.52912 -63.8707 34.1261 -3.73435 1.38278 -1.39455 -23.8956 TIMING: 2080600 CPU: 6650.53, 0.00316257/step Wall: 6650.53, 0.00316258/step, 2.56467 hours remaining, 232.328125 MB of memory in use. ENERGY: 2080600 3976.5892 20632.5362 14462.2746 262.3937 -203433.3745 2349.4718 0.0000 0.0000 52070.8384 -109679.2707 299.2518 -161750.1090 -109312.8302 299.4611 -64.7631 -31.3598 761416.2238 1.5472 1.3851 PRESSURE: 2080800 349.27 -217.317 -132.944 -217.315 376.938 -42.9259 -132.943 -42.9265 -5.52024 GPRESSURE: 2080800 458.1 -159.241 -93.3356 -207.177 348.793 -29.6898 -78.062 -45.4677 -21.8259 PRESSAVG: 2080800 -14.2151 -59.8506 -15.9925 -59.8505 13.5359 1.93145 -15.9925 1.93143 29.57 GPRESSAVG: 2080800 -15.7778 -59.6917 -14.5854 -59.9998 13.4885 2.48896 -14.9132 1.03447 31.1272 TIMING: 2080800 CPU: 6651.16, 0.00315197/step Wall: 6651.16, 0.00315197/step, 2.55589 hours remaining, 232.328125 MB of memory in use. ENERGY: 2080800 3957.2326 20615.8596 14458.8779 236.7646 -203348.1418 2386.5454 0.0000 0.0000 52032.6134 -109660.2483 299.0321 -161692.8617 -109306.1603 299.1598 240.2292 261.6889 761312.1046 9.6303 9.6126 PRESSURE: 2081000 213.671 -136.389 95.918 -136.389 119.053 -61.1463 95.9183 -61.1464 -48.3836 GPRESSURE: 2081000 237.974 -60.4681 59.6109 -97.253 196.803 1.77647 69.1969 -39.8503 -65.3638 PRESSAVG: 2081000 59.8291 -32.2751 49.6112 -32.2751 -19.707 28.7278 49.6113 28.7278 0.5982 GPRESSAVG: 2081000 60.1252 -32.7846 47.8269 -31.2474 -19.9878 29.1233 49.0791 30.0711 0.0874082 TIMING: 2081000 CPU: 6651.79, 0.00315754/step Wall: 6651.79, 0.00315754/step, 2.56024 hours remaining, 232.328125 MB of memory in use. ENERGY: 2081000 3970.5448 20356.3302 14449.8304 244.5000 -203905.7315 2826.3246 0.0000 0.0000 52404.3524 -109653.8492 301.1685 -162058.2016 -109284.7376 299.4796 94.7803 123.1379 761316.5194 13.5734 13.4083 PRESSURE: 2081200 33.9773 -86.2364 25.7868 -86.236 150.905 -26.5265 25.7871 -26.5261 400.461 GPRESSURE: 2081200 18.0009 -117.813 112.639 -105.735 228.784 -66.6167 77.7471 81.8219 421.163 PRESSAVG: 2081200 26.5454 -50.4722 -15.1315 -50.4723 -7.85179 26.6384 -15.1315 26.6384 -9.60453 GPRESSAVG: 2081200 26.2847 -50.3956 -14.8016 -49.7232 -7.55395 27.6754 -16.2039 26.2851 -9.77894 TIMING: 2081200 CPU: 6652.43, 0.00317847/step Wall: 6652.43, 0.00317847/step, 2.57703 hours remaining, 232.328125 MB of memory in use. ENERGY: 2081200 3940.0442 20512.1296 14454.3915 235.5865 -202873.0264 2532.8724 0.0000 0.0000 51910.4765 -109287.5258 298.3302 -161198.0023 -108934.3207 299.2743 195.1143 222.6492 760401.2036 3.0297 2.9839 PRESSURE: 2081400 -47.0959 -26.6074 -82.3908 -26.608 -210.47 234.812 -82.3901 234.811 353.675 GPRESSURE: 2081400 -3.38996 -48.3561 -79.4677 -188.943 -111.836 188.638 -73.3515 116.647 303.557 PRESSAVG: 2081400 -59.4795 -3.33049 -43.1304 -3.33047 23.4545 -16.114 -43.1304 -16.114 3.80698 GPRESSAVG: 2081400 -58.7021 -4.36206 -42.2428 -3.41632 21.8943 -18.8999 -41.3215 -15.5732 4.62433 TIMING: 2081400 CPU: 6653.07, 0.00320099/step Wall: 6653.07, 0.00320099/step, 2.59511 hours remaining, 232.328125 MB of memory in use. ENERGY: 2081400 3960.2311 20448.2734 14509.8095 237.2663 -203457.8933 2620.5696 0.0000 0.0000 52352.7328 -109329.0105 300.8719 -161681.7434 -108965.5957 299.5001 32.0365 62.7772 760996.7827 -10.7393 -10.7278 PRESSURE: 2081600 -29.9568 58.4141 69.0366 58.4134 47.4322 159.409 69.0368 159.41 -131.994 GPRESSURE: 2081600 -29.0941 -12.8962 43.3813 77.461 177.47 179.757 111.032 95.9275 -175.792 PRESSAVG: 2081600 -18.513 -10.3796 -16.971 -10.3797 9.85675 47.5439 -16.971 47.5439 -7.35518 GPRESSAVG: 2081600 -19.8858 -10.5921 -19.593 -11.0471 12.1305 50.2967 -16.2357 46.6798 -8.03129 TIMING: 2081600 CPU: 6653.7, 0.00317558/step Wall: 6653.7, 0.00317558/step, 2.57433 hours remaining, 232.328125 MB of memory in use. ENERGY: 2081600 3977.1893 20646.3736 14446.8043 222.7780 -203526.2942 2767.9548 0.0000 0.0000 52310.7411 -109154.4530 300.6305 -161465.1941 -108790.5696 299.7344 -38.1728 -9.1387 760280.5519 -5.3371 -5.2622 PRESSURE: 2081800 51.2211 -66.1082 -84.5657 -66.1081 164.426 -43.0786 -84.5651 -43.0781 -354.467 GPRESSURE: 2081800 164.17 -32.8177 -89.8149 -102.62 76.5726 -51.4774 -105.879 -22.7994 -277.367 PRESSAVG: 2081800 -10.8795 -38.1141 -54.5958 -38.1141 7.4845 29.7259 -54.5958 29.7259 -13.1089 GPRESSAVG: 2081800 -9.47568 -37.5995 -53.7947 -38.8692 6.07076 27.816 -54.523 29.2622 -13.1312 TIMING: 2081800 CPU: 6654.34, 0.00316747/step Wall: 6654.34, 0.00316747/step, 2.56759 hours remaining, 232.328125 MB of memory in use. ENERGY: 2081800 4058.0747 20495.2949 14534.1652 225.3690 -203127.3495 2277.5105 0.0000 0.0000 52491.4849 -109045.4502 301.6693 -161536.9352 -108675.4487 300.7422 -46.2734 -12.2082 760320.6883 -5.5013 -5.5120 PRESSURE: 2082000 89.5126 -156.236 122.897 -156.235 -229.799 71.0437 122.897 71.0426 -107.839 GPRESSURE: 2082000 -25.8339 -73.339 155.196 -138.29 -54.7468 -28.1469 127.599 -26.1866 -83.9263 PRESSAVG: 2082000 33.5235 -17.0693 5.87882 -17.0693 -10.6732 8.68059 5.87877 8.68049 0.0120106 GPRESSAVG: 2082000 32.9868 -16.1443 3.93737 -15.1871 -9.47056 7.42085 6.20844 8.39852 -0.689286 TIMING: 2082000 CPU: 6654.98, 0.00319597/step Wall: 6654.98, 0.00319597/step, 2.59051 hours remaining, 232.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2082000 3885.3048 20605.0087 14509.9500 240.5930 -202692.6095 2057.0462 0.0000 0.0000 52119.2938 -109275.4131 299.5303 -161394.7068 -108913.3528 300.0271 -82.7084 -54.8357 761497.9738 7.6208 7.6090 PRESSURE: 2082200 206.518 132.628 185.484 132.628 -12.9525 17.1665 185.485 17.1666 268.012 GPRESSURE: 2082200 233.069 124.849 163.165 152.213 13.9637 -20.6472 8.5719 163.062 307.324 PRESSAVG: 2082200 31.6978 -99.2735 46.9437 -99.2735 3.93254 11.054 46.9437 11.054 4.74332 GPRESSAVG: 2082200 32.0739 -100.02 48.5035 -99.971 2.12928 11.1184 45.3223 13.9796 6.02329 TIMING: 2082200 CPU: 6655.61, 0.00316416/step Wall: 6655.61, 0.00316416/step, 2.56456 hours remaining, 232.328125 MB of memory in use. ENERGY: 2082200 3940.4761 20357.6754 14591.1861 261.1977 -203047.9396 2311.8895 0.0000 0.0000 51994.1238 -109591.3911 298.8109 -161585.5149 -109235.7949 299.6866 153.8594 184.7856 761162.6225 13.4579 13.4088 PRESSURE: 2082400 224.671 -42.3933 -29.5845 -42.3932 77.7152 440.267 -29.5839 440.267 -21.4456 GPRESSURE: 2082400 143.501 138.425 -31.1798 -17.789 145.82 404.717 -18.418 351.25 76.4932 PRESSAVG: 2082400 36.3528 -13.9052 16.3118 -13.9052 -33.4351 26.2721 16.3118 26.2721 8.53336 GPRESSAVG: 2082400 35.3704 -11.9056 15.7411 -14.6682 -32.5191 27.1667 16.1878 24.2167 8.4053 TIMING: 2082400 CPU: 6656.24, 0.0031481/step Wall: 6656.24, 0.0031481/step, 2.55136 hours remaining, 232.328125 MB of memory in use. ENERGY: 2082400 4022.0628 20554.8951 14508.4645 270.9642 -203381.9238 2570.7538 0.0000 0.0000 52123.1904 -109331.5929 299.5527 -161454.7833 -108966.5703 299.6911 93.6468 121.9383 761605.2907 3.8170 3.7522 PRESSURE: 2082600 -229.034 -3.88588 -8.04143 -3.88549 93.7331 68.9667 -8.04127 68.9673 -233.953 GPRESSURE: 2082600 -202.642 -111.735 16.3297 36.166 154.605 31.9411 -92.8605 -60.6121 -231.102 PRESSAVG: 2082600 0.10404 -2.08738 -31.0839 -2.08736 41.8561 38.078 -31.0839 38.0779 9.36987 GPRESSAVG: 2082600 1.67309 -3.397 -31.8967 -2.39299 41.4303 37.5798 -31.776 37.7316 8.3076 TIMING: 2082600 CPU: 6656.87, 0.00316702/step Wall: 6656.87, 0.00316702/step, 2.56652 hours remaining, 232.328125 MB of memory in use. ENERGY: 2082600 4019.6795 20563.0945 14553.0616 228.3787 -203318.1504 2466.2166 0.0000 0.0000 52078.0552 -109409.6642 299.2933 -161487.7194 -109054.4122 299.5398 -123.0846 -93.0464 759890.3625 17.1100 17.1370 PRESSURE: 2082800 363.159 -84.6358 51.1328 -84.636 539.578 -269.261 51.1327 -269.263 317.198 GPRESSURE: 2082800 364.487 -102.899 61.2953 -192.023 621.78 -264.618 32.8092 -182.412 293.593 PRESSAVG: 2082800 -51.1645 -24.0178 -11.4177 -24.0178 26.7501 14.5804 -11.4176 14.5805 12.3059 GPRESSAVG: 2082800 -52.3416 -22.7295 -10.359 -24.4681 27.5753 14.7571 -9.90834 16.3782 12.2967 TIMING: 2082800 CPU: 6657.5, 0.00315391/step Wall: 6657.5, 0.00315391/step, 2.55572 hours remaining, 232.328125 MB of memory in use. ENERGY: 2082800 3905.5166 20542.3101 14491.6518 253.2305 -203570.5197 2931.8587 0.0000 0.0000 51917.5573 -109528.3946 298.3709 -161445.9519 -109164.1602 299.5143 406.6450 426.6203 760584.7493 -4.0362 -4.1565 PRESSURE: 2083000 -242.791 -150.687 -56.2409 -150.688 -64.1814 -117.145 -56.2407 -117.146 -205.888 GPRESSURE: 2083000 -188.595 -234.885 -102.072 22.8991 -36.4325 -117.046 -25.4627 -205.501 -197.05 PRESSAVG: 2083000 -22.8632 -17.0719 12.8738 -17.072 40.4316 34.6294 12.8737 34.6294 2.19241 GPRESSAVG: 2083000 -23.2021 -18.7341 11.4337 -16.4921 39.9835 32.516 13.4936 34.0378 2.77816 TIMING: 2083000 CPU: 6658.13, 0.00315129/step Wall: 6658.13, 0.00315129/step, 2.55342 hours remaining, 232.328125 MB of memory in use. ENERGY: 2083000 4037.2077 20536.2477 14484.2915 246.6849 -203310.1687 2678.5104 0.0000 0.0000 51912.3405 -109414.8860 298.3409 -161327.2265 -109056.4940 299.3368 -170.9537 -140.6924 761437.2827 6.5869 6.5198 PRESSURE: 2083200 -169.194 -141.324 61.0309 -141.324 110.836 93.1523 61.0308 93.152 -118.669 GPRESSURE: 2083200 -156.596 -112.123 31.6924 -162.817 115.826 83.1115 73.2677 -57.2118 -68.7882 PRESSAVG: 2083200 27.7191 9.36561 -20.7741 9.36565 -56.6034 55.43 -20.7741 55.4301 4.43069 GPRESSAVG: 2083200 27.8538 8.93607 -19.5245 10.7017 -56.3441 56.8973 -22.4446 56.7899 4.29825 TIMING: 2083200 CPU: 6658.77, 0.00316494/step Wall: 6658.77, 0.00316494/step, 2.5643 hours remaining, 232.328125 MB of memory in use. ENERGY: 2083200 3904.5683 20398.5983 14529.2594 242.8471 -203378.8107 2452.8657 0.0000 0.0000 52148.9098 -109701.7623 299.7005 -161850.6720 -109339.4806 299.4293 -59.0091 -36.5193 762043.4092 -8.1512 -8.0640 PRESSURE: 2083400 82.2105 18.3861 21.1169 18.3859 127.282 -117.786 21.1173 -117.786 480.253 GPRESSURE: 2083400 143.124 -6.6001 62.4861 -37.3873 161.541 -150.783 -210.8 -82.5154 458.485 PRESSAVG: 2083400 6.02796 -41.0146 -30.029 -41.0146 -6.3427 -37.4039 -30.029 -37.4039 -3.16987 GPRESSAVG: 2083400 7.62792 -40.7499 -29.0273 -42.4086 -6.92602 -36.7657 -29.1226 -39.7885 -3.69341 TIMING: 2083400 CPU: 6659.4, 0.00316204/step Wall: 6659.4, 0.00316204/step, 2.56178 hours remaining, 232.328125 MB of memory in use. ENERGY: 2083400 4002.9084 20475.0919 14474.2205 237.8565 -204309.9394 3095.8460 0.0000 0.0000 52318.2940 -109705.7221 300.6740 -162024.0161 -109352.2811 299.2459 229.9152 254.3830 758755.4152 -1.1615 -0.9972 PRESSURE: 2083600 -84.6312 -81.3725 -175.752 -81.3721 -92.7963 -194.976 -175.753 -194.976 37.5367 GPRESSURE: 2083600 -35.2433 -26.7284 -165.363 19.1661 26.1085 -306.86 -114.081 9.95962 -49.2627 PRESSAVG: 2083600 -15.1409 -24.4395 14.8655 -24.4395 28.8595 -33.0449 14.8655 -33.0449 0.698276 GPRESSAVG: 2083600 -16.4192 -23.8917 15.0618 -23.9661 28.8337 -34.8078 15.4772 -31.9448 1.57372 TIMING: 2083600 CPU: 6660.03, 0.0031784/step Wall: 6660.03, 0.0031784/step, 2.57485 hours remaining, 232.328125 MB of memory in use. ENERGY: 2083600 4024.8631 20507.9278 14474.3596 232.8709 -203628.0956 2704.9094 0.0000 0.0000 51966.2612 -109716.9036 298.6508 -161683.1648 -109355.9631 299.6442 -46.6303 -19.4658 761633.3842 4.8056 4.6627 PRESSURE: 2083800 100.254 146.011 307.474 146.011 -72.9858 -133.398 307.474 -133.399 272.277 GPRESSURE: 2083800 134.728 167.472 277.388 101.669 0.349338 -114.481 186.158 -321.399 258.43 PRESSAVG: 2083800 -28.4117 1.81039 -3.61881 1.81032 29.6294 -9.49811 -3.6188 -9.4981 9.90368 GPRESSAVG: 2083800 -27.7007 2.14339 -6.41659 1.68742 30.1476 -8.80456 -1.52134 -12.1316 8.46743 TIMING: 2083800 CPU: 6660.67, 0.00316754/step Wall: 6660.67, 0.00316754/step, 2.56588 hours remaining, 232.328125 MB of memory in use. ENERGY: 2083800 3955.3027 20697.8635 14495.5598 252.8769 -203615.4674 2649.5979 0.0000 0.0000 51855.0481 -109709.2184 298.0117 -161564.2665 -109341.6198 299.1713 99.8484 131.1691 760109.8841 3.7071 3.6381 PRESSURE: 2084000 167.622 71.582 -148.947 71.5824 -128.585 92.9873 -148.947 92.987 107.659 GPRESSURE: 2084000 165.463 -117.578 -55.526 43.7441 11.1257 199.551 -104.48 121.604 41.0176 PRESSAVG: 2084000 17.1396 15.2229 5.90381 15.2229 14.8682 21.2893 5.90393 21.2893 -13.3025 GPRESSAVG: 2084000 16.446 13.2495 8.3858 16.2217 14.5477 21.992 3.24622 24.5867 -12.6851 TIMING: 2084000 CPU: 6661.3, 0.00316358/step Wall: 6661.3, 0.00316358/step, 2.5625 hours remaining, 232.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2084000 4052.8669 20553.0408 14547.4029 261.6074 -204008.3131 2831.9182 0.0000 0.0000 52027.9496 -109733.5274 299.0053 -161761.4770 -109384.1506 299.3386 48.8988 72.5356 760693.4460 6.2351 6.1029 PRESSURE: 2084200 -184.079 160.324 130.276 160.324 31.0741 168.208 130.276 168.207 -332.402 GPRESSURE: 2084200 -90.6581 153.004 90.2297 133.273 36.2549 150.755 98.0254 54.7413 -349.804 PRESSAVG: 2084200 34.725 -3.86308 -21.2211 -3.86304 -32.3453 12.5058 -21.2211 12.5057 -8.27275 GPRESSAVG: 2084200 34.1988 -2.25514 -24.7117 -4.87861 -32.9823 13.6525 -18.0909 9.13375 -7.79123 TIMING: 2084200 CPU: 6661.93, 0.00316284/step Wall: 6661.93, 0.00316284/step, 2.56172 hours remaining, 232.328125 MB of memory in use. ENERGY: 2084200 4026.0743 20511.6564 14441.0653 235.3920 -203803.8194 2669.4726 0.0000 0.0000 52278.2477 -109641.9110 300.4438 -161920.1587 -109279.0324 299.5840 -161.8024 -134.7358 758789.0907 -1.9644 -2.1916 LDB: ============= START OF LOAD BALANCING ============== 6674.35 LDB: ============== END OF LOAD BALANCING =============== 6674.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6674.36 LDB: ============= START OF LOAD BALANCING ============== 6674.67 LDB: Largest compute 7038 load 0.034638 is 17.7% of average load 0.195493 LDB: Average compute 0.004394 is 2.2% of average load 0.195493 LDB: TIME 6674.68 LOAD: AVG 0.195493 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.621 MB LDB: TIME 6674.68 LOAD: AVG 0.195493 MAX 0.214721 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.66 MB LDB: TIME 6674.68 LOAD: AVG 0.195493 MAX 0.214721 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.66 MB LDB: ============== END OF LOAD BALANCING =============== 6674.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6674.68 PRESSURE: 2084400 201.49 42.7999 -164.906 42.7997 50.5845 -324.651 -164.906 -324.652 371.901 GPRESSURE: 2084400 206.843 110.568 -215.395 126.89 128.49 -305.309 -171.352 -276.518 368.917 PRESSAVG: 2084400 -15.4674 -17.3356 29.6862 -17.3356 29.3162 26.6745 29.6862 26.6746 3.26349 GPRESSAVG: 2084400 -15.8113 -17.0989 31.9254 -18.0691 30.0558 25.5646 29.2776 28.7326 2.87495 TIMING: 2084400 CPU: 6662.58, 0.00322233/step Wall: 6662.58, 0.00322233/step, 2.60973 hours remaining, 233.558594 MB of memory in use. ENERGY: 2084400 4023.3630 20658.6375 14539.9417 246.4952 -203538.4693 2541.3916 0.0000 0.0000 51862.2114 -109666.4289 298.0528 -161528.6403 -109306.1829 299.5193 207.9919 234.7497 759581.8132 5.7041 5.7065 PRESSURE: 2084600 -438.557 -16.5888 -0.167662 -16.5888 -65.9575 -117.575 -0.167392 -117.576 -208.227 GPRESSURE: 2084600 -401.767 -68.4954 45.8365 63.9931 -48.9541 -73.5876 -53.2668 15.0307 -180.899 PRESSAVG: 2084600 48.1568 -17.055 -14.373 -17.055 -44.377 -11.0495 -14.373 -11.0494 -6.56535 GPRESSAVG: 2084600 49.2478 -18.0361 -14.7018 -16.1737 -46.3661 -11.0089 -17.1678 -10.7171 -5.43301 TIMING: 2084600 CPU: 6663.21, 0.0031659/step Wall: 6663.21, 0.0031659/step, 2.56385 hours remaining, 233.847656 MB of memory in use. ENERGY: 2084600 4011.2708 20504.2804 14522.6138 221.3529 -203558.5659 2614.4298 0.0000 0.0000 52087.8153 -109596.8029 299.3494 -161684.6182 -109234.5628 298.9897 -237.5807 -210.5402 762940.0545 -0.9285 -0.8504 PRESSURE: 2084800 -286.444 80.1957 4.11446 80.1956 235.874 236.635 4.1141 236.635 -7.8316 GPRESSURE: 2084800 -273.609 36.7866 11.3111 110.609 285.9 262.635 118.764 218.379 26.59 PRESSAVG: 2084800 -8.06725 -29.4553 0.119966 -29.4553 12.7769 4.05723 0.119947 4.05718 0.963773 GPRESSAVG: 2084800 -7.87412 -30.5692 0.0441355 -27.8849 13.5951 3.02315 1.85533 3.17142 0.136132 TIMING: 2084800 CPU: 6663.84, 0.00315795/step Wall: 6663.84, 0.00315795/step, 2.55723 hours remaining, 233.847656 MB of memory in use. ENERGY: 2084800 3944.5202 20494.6546 14503.0634 237.7075 -203511.9130 2705.8738 0.0000 0.0000 52220.0858 -109406.0078 300.1096 -161626.0936 -109043.8771 299.4017 -19.4672 12.9605 760422.3810 1.8911 1.9524 PRESSURE: 2085000 209.571 -235.541 -287.408 -235.542 189.665 259.737 -287.408 259.738 -10.0931 GPRESSURE: 2085000 207.06 -230.595 -235.989 -183.902 304.082 244.179 -267.131 180.894 -13.0429 PRESSAVG: 2085000 -10.7244 -73.4015 9.08515 -73.4015 16.0712 30.3939 9.08513 30.3939 0.39986 GPRESSAVG: 2085000 -11.0769 -72.3761 9.43232 -74.37 17.9126 31.0216 10.2023 30.5348 -0.026123 TIMING: 2085000 CPU: 6664.47, 0.00316483/step Wall: 6664.47, 0.00316483/step, 2.56264 hours remaining, 233.847656 MB of memory in use. ENERGY: 2085000 4011.9871 20391.7292 14479.5639 251.8175 -203175.6998 2432.1226 0.0000 0.0000 52348.6878 -109259.7917 300.8486 -161608.4795 -108891.1684 299.9308 129.7145 166.0331 761132.4476 1.9155 2.2699 PRESSURE: 2085200 -162.812 -101.11 10.9426 -101.11 326.425 67.5565 10.9422 67.556 87.9508 GPRESSURE: 2085200 -102.639 -38.0843 42.7757 -163.905 346.852 56.1587 -33.733 157.792 82.3307 PRESSAVG: 2085200 -9.41804 -100.455 -56.6632 -100.455 21.5094 16.5471 -56.6631 16.5471 -4.64238 GPRESSAVG: 2085200 -8.28616 -99.7209 -56.3099 -101.385 19.6353 15.7616 -59.0113 14.6319 -4.30152 TIMING: 2085200 CPU: 6665.11, 0.00315359/step Wall: 6665.11, 0.00315359/step, 2.55336 hours remaining, 233.847656 MB of memory in use. ENERGY: 2085200 3955.4038 20540.6786 14430.5335 245.6149 -203401.7348 2654.0443 0.0000 0.0000 52380.5404 -109194.9193 301.0317 -161575.4597 -108833.9747 300.0553 83.8547 108.8479 759744.7824 2.4830 2.3492 PRESSURE: 2085400 244.817 -151.015 51.7853 -151.017 -70.2724 0.420087 51.7846 0.42061 -212.994 GPRESSURE: 2085400 283.568 -203.736 65.9991 -125.171 0.185707 -12.2806 13.8274 15.058 -239.599 PRESSAVG: 2085400 -2.53451 25.1998 5.6303 25.1998 -12.34 30.9287 5.63032 30.9288 -24.3664 GPRESSAVG: 2085400 -2.95269 23.5555 5.47177 24.4861 -11.5042 32.1453 4.96384 31.5336 -24.5511 TIMING: 2085400 CPU: 6665.74, 0.00316183/step Wall: 6665.74, 0.00316183/step, 2.55985 hours remaining, 233.984375 MB of memory in use. ENERGY: 2085400 4063.1266 20440.6660 14450.3981 240.6112 -203072.0877 2606.8523 0.0000 0.0000 52066.1452 -109204.2883 299.2249 -161270.4334 -108841.6764 299.6711 -12.8164 14.7184 761362.6673 -13.0803 -13.0027 PRESSURE: 2085600 156.114 32.9518 -133.82 32.9528 -17.8896 245.246 -133.82 245.247 215.928 GPRESSURE: 2085600 183.069 30.8888 -149.711 39.3781 75.4151 207.615 -193.039 243.943 176.385 PRESSAVG: 2085600 -24.4132 -1.61857 -32.3965 -1.61854 11.3616 36.0844 -32.3964 36.0843 -13.1174 GPRESSAVG: 2085600 -25.514 -0.156541 -32.7119 2.37264 12.2473 34.8543 -30.4958 36.449 -12.6436 TIMING: 2085600 CPU: 6666.37, 0.00314659/step Wall: 6666.37, 0.00314659/step, 2.54734 hours remaining, 233.984375 MB of memory in use. ENERGY: 2085600 3993.6126 20402.2596 14468.9467 238.3528 -202900.9401 2390.2360 0.0000 0.0000 52147.2965 -109260.2358 299.6912 -161407.5323 -108894.4571 299.6922 118.0507 144.9563 761499.8944 -8.7230 -8.6367 PRESSURE: 2085800 -244.774 -104.259 82.0879 -104.26 62.1263 -61.9282 82.0889 -61.9287 -61.2231 GPRESSURE: 2085800 -154.3 -86.648 73.3804 -4.63654 95.6828 -61.9069 55.2918 -39.4007 -86.9795 PRESSAVG: 2085800 -2.80592 0.611048 -32.2556 0.61105 37.0247 -26.2732 -32.2555 -26.2732 2.39497 GPRESSAVG: 2085800 -2.22383 1.60432 -32.3015 -1.76341 36.8276 -26.3427 -33.6676 -26.5463 1.58431 TIMING: 2085800 CPU: 6667, 0.00317156/step Wall: 6667, 0.00317156/step, 2.56738 hours remaining, 233.984375 MB of memory in use. ENERGY: 2085800 3912.0127 20459.4341 14446.4011 247.1487 -203063.1701 2473.6902 0.0000 0.0000 51918.3707 -109606.1126 298.3756 -161524.4834 -109245.1796 299.4006 -81.2901 -48.5322 762564.9684 12.2046 12.0627 PRESSURE: 2086000 0.438612 -167.428 17.2383 -167.429 -479.116 -79.8227 17.2382 -79.8224 -72.2389 GPRESSURE: 2086000 17.2832 -144.651 -7.66334 -182.488 -424.452 -29.1668 176.329 8.42616 -50.8604 PRESSAVG: 2086000 16.547 5.70565 15.0346 5.70563 -47.7675 7.30607 15.0347 7.30603 4.3727 GPRESSAVG: 2086000 16.5313 5.28819 13.2377 5.84764 -47.172 8.60309 17.6327 7.24856 4.63602 TIMING: 2086000 CPU: 6667.63, 0.00316514/step Wall: 6667.63, 0.00316514/step, 2.56201 hours remaining, 233.984375 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: 2086000 4003.9173 20413.2961 14468.8289 231.6278 -203090.3736 2474.6895 0.0000 0.0000 51848.9511 -109649.0628 297.9766 -161498.0139 -109290.8062 298.6821 -183.6389 -152.6765 761440.1614 -8.9493 -8.6682 PRESSURE: 2086200 71.0013 -367.726 -76.2673 -367.724 -216.557 333.069 -76.2676 333.069 -177.717 GPRESSURE: 2086200 103.446 -311.343 -35.5039 -349.59 -77.8967 285.641 48.1799 383.538 -260.05 PRESSAVG: 2086200 2.67363 -38.83 -47.2663 -38.8299 -19.5995 40.1768 -47.2663 40.1768 16.9048 GPRESSAVG: 2086200 1.93798 -39.6111 -45.6542 -40.0185 -18.8495 39.2978 -46.6234 40.2922 17.2314 TIMING: 2086200 CPU: 6668.26, 0.00314941/step Wall: 6668.26, 0.00314941/step, 2.5491 hours remaining, 233.984375 MB of memory in use. ENERGY: 2086200 3960.0366 20414.7713 14505.5052 239.5255 -203021.3768 2281.3776 0.0000 0.0000 52292.1697 -109327.9908 300.5238 -161620.1605 -108951.4020 299.4413 -107.7578 -78.1670 760426.5315 -0.0070 0.1066 PRESSURE: 2086400 32.3502 -0.952475 -165.876 -0.952048 -110.775 105.675 -165.876 105.676 76.4737 GPRESSURE: 2086400 -41.9807 -200.56 -63.8244 -29.1307 35.8559 101.504 -105.873 111.489 101.495 PRESSAVG: 2086400 30.2204 -10.8955 -107.737 -10.8954 -36.1614 30.2098 -107.737 30.2097 -29.8255 GPRESSAVG: 2086400 31.4351 -10.149 -107.98 -10.3873 -36.2808 29.713 -106.305 29.7873 -31.1882 TIMING: 2086400 CPU: 6668.89, 0.00314337/step Wall: 6668.89, 0.00314337/step, 2.54404 hours remaining, 233.984375 MB of memory in use. ENERGY: 2086400 3990.6993 20527.8704 14557.4431 239.2758 -203295.7952 2595.0491 0.0000 0.0000 52066.4626 -109318.9949 299.2267 -161385.4575 -108961.9285 299.8288 -0.6504 31.7900 761464.9729 -11.9222 -12.0113 PRESSURE: 2086600 -275.816 -185.316 43.5807 -185.317 51.347 42.0637 43.5806 42.0626 -80.2394 GPRESSURE: 2086600 -279.124 -124.098 67.9609 -171.1 65.0978 25.4333 66.5344 143.404 -15.3397 PRESSAVG: 2086600 20.5911 -49.3481 -4.21694 -49.3482 10.4872 -16.2616 -4.21685 -16.2616 7.42891 GPRESSAVG: 2086600 18.1836 -49.5425 -3.33172 -48.3952 10.4553 -14.9706 -8.36142 -16.5139 10.097 TIMING: 2086600 CPU: 6669.52, 0.00315965/step Wall: 6669.52, 0.00315965/step, 2.55704 hours remaining, 233.984375 MB of memory in use. ENERGY: 2086600 4004.7064 20594.5307 14484.4870 230.5663 -203089.7008 2435.1620 0.0000 0.0000 52070.2836 -109269.9648 299.2486 -161340.2484 -108907.4332 300.1503 -101.5696 -76.4554 761716.2842 12.8357 12.9119 PRESSURE: 2086800 -153.887 -10.062 -11.5954 -10.0623 -195.368 55.4834 -11.5949 55.4832 60.6332 GPRESSURE: 2086800 -90.1483 44.898 -66.2163 64.1347 -212.405 78.4079 -70.3539 24.449 74.1194 PRESSAVG: 2086800 16.5151 -40.95 -45.6043 -40.9501 10.3469 -67.4264 -45.6042 -67.4264 -7.74011 GPRESSAVG: 2086800 19.0333 -41.4642 -47.1459 -41.2682 8.20798 -67.9065 -45.3825 -67.7503 -7.9721 TIMING: 2086800 CPU: 6670.15, 0.00314354/step Wall: 6670.15, 0.00314354/step, 2.54382 hours remaining, 233.984375 MB of memory in use. ENERGY: 2086800 3951.6284 20570.5547 14494.5945 228.2853 -203296.2253 2516.1892 0.0000 0.0000 52086.4631 -109448.5100 299.3416 -161534.9732 -109089.4171 299.4475 -96.2070 -76.1448 760700.1794 6.3740 6.4231 PRESSURE: 2087000 332.398 -5.17845 -104.319 -5.17844 -152.353 -147.458 -104.318 -147.458 125.382 GPRESSURE: 2087000 292.458 -4.53026 -105.25 -89.1565 -20.5421 -139.305 -49.0925 -129.938 106.588 PRESSAVG: 2087000 50.804 -45.7477 -69.1132 -45.7477 -17.6392 0.168196 -69.1133 0.168145 -17.0208 GPRESSAVG: 2087000 49.0005 -45.1857 -68.1235 -45.7261 -15.3975 0.583776 -67.4826 1.10468 -18.2473 TIMING: 2087000 CPU: 6670.79, 0.00316329/step Wall: 6670.79, 0.00316329/step, 2.55963 hours remaining, 233.984375 MB of memory in use. ENERGY: 2087000 3943.9394 20600.7370 14463.1176 251.9258 -203479.7662 2535.1703 0.0000 0.0000 51873.4237 -109811.4523 298.1173 -161684.8760 -109463.3788 298.8709 101.8091 126.1679 760438.9214 5.3813 5.1186 PRESSURE: 2087200 158.322 -209.233 -22.2796 -209.233 -112.857 72.8261 -22.2788 72.8269 -231.316 GPRESSURE: 2087200 155.251 -194.817 15.7271 -125.683 -72.3978 22.2739 -98.4875 50.5964 -190.4 PRESSAVG: 2087200 -12.8663 24.1298 -51.3664 24.1299 -23.8544 -19.7663 -51.3664 -19.7663 20.7628 GPRESSAVG: 2087200 -12.3937 23.2209 -49.0847 21.3498 -24.5299 -19.6381 -53.221 -20.2905 20.7815 TIMING: 2087200 CPU: 6671.42, 0.00315611/step Wall: 6671.42, 0.00315611/step, 2.55364 hours remaining, 233.984375 MB of memory in use. ENERGY: 2087200 4055.2838 20492.0739 14512.7227 228.5529 -203884.6179 2642.0905 0.0000 0.0000 51952.8273 -110001.0668 298.5736 -161953.8941 -109630.9099 298.2669 -61.9502 -35.8488 759867.7133 -5.3193 -5.3807 PRESSURE: 2087400 -442.756 90.9116 162.845 90.9119 40.3266 39.8419 162.845 39.8413 141.363 GPRESSURE: 2087400 -363.791 77.5268 181.671 35.4476 116.02 41.2715 170.819 235.545 76.7103 PRESSAVG: 2087400 -14.717 -15.3147 -15.0021 -15.3147 -12.556 2.56051 -15.0021 2.56051 -8.62935 GPRESSAVG: 2087400 -13.9054 -13.0698 -16.4186 -11.9499 -13.2368 1.19304 -12.7218 1.53841 -8.80005 TIMING: 2087400 CPU: 6672.05, 0.00318113/step Wall: 6672.05, 0.00318113/step, 2.57371 hours remaining, 233.984375 MB of memory in use. ENERGY: 2087400 3974.7236 20497.3696 14411.3766 249.0568 -203768.6463 2668.9229 0.0000 0.0000 51910.3936 -110056.8032 298.3297 -161967.1968 -109694.4171 298.1745 -87.0223 -57.0203 761224.7804 -11.9675 -11.9807 PRESSURE: 2087600 -181.824 141.205 8.56641 141.205 249.455 -137.552 8.56657 -137.553 -13.6594 GPRESSURE: 2087600 -133.653 34.5033 -86.4807 51.095 283.566 -154.036 -120.606 -2.53046 -7.01107 PRESSAVG: 2087600 -1.85249 -31.8958 45.8781 -31.8958 7.09102 46.6878 45.8781 46.6878 14.3708 GPRESSAVG: 2087600 -1.83827 -34.2358 45.6428 -31.8052 7.47344 46.8414 43.8971 48.6631 13.9232 TIMING: 2087600 CPU: 6672.69, 0.00317643/step Wall: 6672.69, 0.00317643/step, 2.56973 hours remaining, 233.984375 MB of memory in use. ENERGY: 2087600 4011.7675 20622.3879 14461.6089 237.9565 -203462.6143 2501.2955 0.0000 0.0000 51731.1168 -109896.4813 297.2994 -161627.5980 -109538.4061 298.2885 17.9904 47.6342 760096.9041 6.5364 6.5195 PRESSURE: 2087800 9.50064 -24.3293 -199.703 -24.3301 -337.284 -52.9368 -199.702 -52.9368 -371.611 GPRESSURE: 2087800 -33.6357 14.3797 -247.539 -63.1168 -268.435 -53.0166 -154.429 -5.16836 -317.685 PRESSAVG: 2087800 7.23736 -68.3489 -31.5937 -68.3489 -31.8005 29.8188 -31.5936 29.8188 15.5577 GPRESSAVG: 2087800 7.27835 -69.3792 -31.1706 -68.1512 -32.2306 30.2521 -29.6419 27.6841 15.8628 TIMING: 2087800 CPU: 6673.32, 0.00316859/step Wall: 6673.32, 0.00316859/step, 2.56321 hours remaining, 233.984375 MB of memory in use. ENERGY: 2087800 4028.9971 20471.6020 14464.6696 251.0886 -203644.9719 2558.1883 0.0000 0.0000 51714.4726 -110155.9536 297.2038 -161870.4263 -109794.6246 298.0185 -233.1315 -206.5852 759750.7309 -3.0018 -3.0298 PRESSURE: 2088000 -50.3074 -30.1629 96.5629 -30.1629 -73.8855 -109.325 96.563 -109.325 -157.949 GPRESSURE: 2088000 -3.09439 -29.4793 14.6531 31.477 -27.5382 -100.499 11.4357 -143.13 -176.501 PRESSAVG: 2088000 -10.84 -32.235 36.3154 -32.235 4.76464 27.2477 36.3154 27.2476 -6.57787 GPRESSAVG: 2088000 -11.6623 -29.4204 36.3453 -34.404 4.56315 26.7161 34.0872 27.9151 -5.30212 TIMING: 2088000 CPU: 6673.95, 0.0031509/step Wall: 6673.95, 0.0031509/step, 2.54873 hours remaining, 233.984375 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: 2088000 3998.8580 20421.7778 14451.0727 237.8455 -203450.5757 2613.1255 0.0000 0.0000 51854.2932 -109873.6030 298.0073 -161727.8962 -109509.2220 298.2867 -94.0474 -69.0447 762110.3026 -4.2177 -4.1338 PRESSURE: 2088200 -275.575 118.171 -156.804 118.171 -252.74 -138.754 -156.804 -138.754 45.8783 GPRESSURE: 2088200 -268.443 167.167 -226.154 126.805 -163.608 -157.553 -287.375 -136.131 38.8266 PRESSAVG: 2088200 -1.87088 -3.51649 -13.0393 -3.5165 -0.771857 -19.9711 -13.0393 -19.9711 -11.6615 GPRESSAVG: 2088200 -1.94228 -3.96535 -15.3767 -1.94574 -0.866567 -20.1299 -12.6321 -19.7935 -11.8496 TIMING: 2088200 CPU: 6674.59, 0.00317254/step Wall: 6674.59, 0.00317254/step, 2.56605 hours remaining, 233.984375 MB of memory in use. ENERGY: 2088200 3964.9631 20482.0057 14477.0768 252.1391 -203839.7078 2569.3293 0.0000 0.0000 51910.2917 -110183.9021 298.3292 -162094.1939 -109825.5971 298.1076 -160.8123 -131.0747 760333.3178 -4.7681 -4.8862 LDB: ============= START OF LOAD BALANCING ============== 6687.01 LDB: ============== END OF LOAD BALANCING =============== 6687.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6687.01 LDB: ============= START OF LOAD BALANCING ============== 6687.33 LDB: Largest compute 7069 load 0.036568 is 18.7% of average load 0.195395 LDB: Average compute 0.004406 is 2.3% of average load 0.195395 LDB: TIME 6687.34 LOAD: AVG 0.195395 MAX 0.212565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.109 MB LDB: TIME 6687.34 LOAD: AVG 0.195395 MAX 0.212565 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: TIME 6687.34 LOAD: AVG 0.195395 MAX 0.212565 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: ============== END OF LOAD BALANCING =============== 6687.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6687.34 PRESSURE: 2088400 61.8315 21.8249 -30.6518 21.8251 -243.878 -154.554 -30.6511 -154.554 477.617 GPRESSURE: 2088400 91.6668 66.3419 -55.1801 -99.7861 -188.669 -114.782 -227.626 -132.979 474.886 PRESSAVG: 2088400 63.284 -42.6412 -1.01915 -42.6412 -32.393 -10.421 -1.01912 -10.4209 -2.4266 GPRESSAVG: 2088400 62.2147 -44.179 0.899872 -43.5367 -32.5428 -11.0766 -1.28286 -10.0865 -1.58907 TIMING: 2088400 CPU: 6675.24, 0.00324659/step Wall: 6675.24, 0.00324659/step, 2.62577 hours remaining, 233.683594 MB of memory in use. ENERGY: 2088400 4032.7767 20455.9060 14422.3266 237.6294 -203646.5761 2601.4890 0.0000 0.0000 51709.1669 -110187.2814 297.1733 -161896.4484 -109827.3259 298.4796 98.5235 125.9613 759794.9124 9.4881 9.3610 PRESSURE: 2088600 -234.636 -23.2384 -11.6894 -23.2386 -52.378 247.236 -11.6896 247.237 296.241 GPRESSURE: 2088600 -174.614 -31.4338 -2.03926 42.4576 22.2337 196.835 65.3217 127.264 249.454 PRESSAVG: 2088600 24.3468 -65.833 -5.71078 -65.8329 -32.6028 -28.8499 -5.71082 -28.8498 -16.044 GPRESSAVG: 2088600 26.747 -63.5444 -6.85147 -66.3134 -34.0958 -31.056 -5.74019 -26.0566 -17.0197 TIMING: 2088600 CPU: 6675.87, 0.00317952/step Wall: 6675.87, 0.00317952/step, 2.57135 hours remaining, 233.753906 MB of memory in use. ENERGY: 2088600 3987.4235 20502.3030 14513.2002 239.9840 -203803.3420 2634.4393 0.0000 0.0000 51820.0083 -110105.9837 297.8103 -161925.9919 -109755.1285 298.1277 3.0758 32.3578 759379.4744 -8.1000 -8.1228 PRESSURE: 2088800 15.6822 228.696 168.723 228.695 -202.733 209.98 168.722 209.98 -362.167 GPRESSURE: 2088800 95.7677 216.016 140.364 176.199 -180.495 228.783 122.078 143.858 -378.987 PRESSAVG: 2088800 28.2558 12.8085 18.4983 12.8085 -11.1161 48.6381 18.4984 48.6381 6.41134 GPRESSAVG: 2088800 26.4469 10.276 17.9687 14.8145 -8.86223 51.1489 19.1644 46.7126 5.82203 TIMING: 2088800 CPU: 6676.51, 0.00317406/step Wall: 6676.51, 0.00317406/step, 2.56676 hours remaining, 233.753906 MB of memory in use. ENERGY: 2088800 3967.2957 20369.0100 14531.4510 249.8556 -203707.1980 2535.1528 0.0000 0.0000 51924.4382 -110129.9947 298.4105 -162054.4329 -109774.6913 297.7936 -183.0725 -154.5717 759258.7468 7.8503 7.8022 PRESSURE: 2089000 -186.541 -12.9393 -197.737 -12.9395 79.2753 -42.0457 -197.736 -42.0458 356.929 GPRESSURE: 2089000 -110.703 63.4832 -269.191 31.7781 120.125 -4.29989 -259.287 -86.982 331.744 PRESSAVG: 2089000 28.9902 -15.8188 -45.8382 -15.8188 -36.2835 6.07426 -45.8382 6.07424 -16.4474 GPRESSAVG: 2089000 28.8209 -13.338 -44.247 -18.0824 -36.6147 6.01015 -47.2065 5.10673 -15.4897 TIMING: 2089000 CPU: 6677.14, 0.00318119/step Wall: 6677.14, 0.00318119/step, 2.57234 hours remaining, 233.753906 MB of memory in use. ENERGY: 2089000 3938.4442 20476.9570 14435.4412 247.2161 -203992.0791 2780.5483 0.0000 0.0000 51946.1567 -110167.3156 298.5353 -162113.4723 -109811.0413 298.0375 83.2210 113.7222 758260.1472 -7.9136 -7.7612 PRESSURE: 2089200 169.208 3.49407 -149.483 3.49494 -437.483 -67.9834 -149.483 -67.983 34.2384 GPRESSURE: 2089200 175.157 -125.663 -86.9087 -52.2231 -390.484 -118.498 -91.7942 -66.6825 49.7074 PRESSAVG: 2089200 9.5528 48.7811 -2.47646 48.781 17.4126 12.2953 -2.47644 12.2953 23.9939 GPRESSAVG: 2089200 9.33809 46.2597 -2.85578 49.6564 18.0826 11.5264 -2.25397 13.5474 23.4562 TIMING: 2089200 CPU: 6677.78, 0.00316946/step Wall: 6677.78, 0.00316946/step, 2.56268 hours remaining, 233.753906 MB of memory in use. ENERGY: 2089200 3904.6678 20202.7692 14414.0992 248.9191 -203585.9593 2563.8651 0.0000 0.0000 52030.7554 -110220.8836 299.0215 -162251.6390 -109848.5559 297.7185 -78.0123 -55.2063 759277.7161 16.9864 16.9589 PRESSURE: 2089400 -266.294 25.8838 45.3905 25.8831 220.4 -247.684 45.3903 -247.684 -446.577 GPRESSURE: 2089400 -201.238 138.154 141.397 137.851 231.48 -157.381 76.4777 -144.485 -450.029 PRESSAVG: 2089400 48.235 -16.7683 -20.858 -16.7683 -43.6063 -9.48425 -20.858 -9.48415 16.8941 GPRESSAVG: 2089400 49.0869 -14.8941 -20.8829 -18.1026 -44.6934 -9.12167 -19.2035 -8.19552 17.1539 TIMING: 2089400 CPU: 6678.4, 0.00313611/step Wall: 6678.4, 0.00313611/step, 2.53554 hours remaining, 233.753906 MB of memory in use. ENERGY: 2089400 3934.2411 20498.3204 14467.6353 248.1371 -203559.0038 2502.0086 0.0000 0.0000 51900.2287 -110008.4326 298.2713 -161908.6612 -109647.9586 297.8662 -164.1573 -139.9288 760864.7568 7.1743 7.1825 PRESSURE: 2089600 -103.89 -35.2731 236.532 -35.2723 -60.1534 22.5284 236.533 22.5287 -315.035 GPRESSURE: 2089600 31.2679 -28.992 208.975 -63.1353 -158.865 -58.9913 116.717 54.5453 -245.848 PRESSAVG: 2089600 -40.1909 -37.7884 -12.9414 -37.7884 -10.675 -32.4193 -12.9415 -32.4193 3.82694 GPRESSAVG: 2089600 -40.2824 -36.6542 -12.0886 -35.3363 -10.8272 -32.2563 -16.0554 -34.6099 3.68861 TIMING: 2089600 CPU: 6679.03, 0.00314843/step Wall: 6679.03, 0.00314843/step, 2.54533 hours remaining, 233.753906 MB of memory in use. ENERGY: 2089600 3997.2424 20423.3904 14488.3437 252.8450 -203815.1282 2559.1903 0.0000 0.0000 52235.8436 -109858.2726 300.2001 -162094.1163 -109492.7583 298.7696 -159.6927 -124.4818 760474.3017 -15.6797 -15.8070 PRESSURE: 2089800 74.057 -49.3004 -238.242 -49.3001 -26.181 219.913 -238.241 219.913 -101.687 GPRESSURE: 2089800 112.984 42.7624 -220.375 -127.413 5.29356 189.55 -222.009 97.574 -75.2778 PRESSAVG: 2089800 25.0708 -27.5395 -6.90456 -27.5396 -84.2754 19.0144 -6.90455 19.0144 -6.35197 GPRESSAVG: 2089800 25.697 -27.3145 -8.41241 -27.5846 -84.6479 19.8066 -5.53337 17.3382 -6.25037 TIMING: 2089800 CPU: 6679.67, 0.0031546/step Wall: 6679.67, 0.0031546/step, 2.55014 hours remaining, 233.753906 MB of memory in use. ENERGY: 2089800 3946.1606 20507.1680 14429.4570 257.0909 -203482.5471 2861.2821 0.0000 0.0000 51783.8069 -109697.5815 297.6023 -161481.3885 -109347.8149 298.4149 -17.9369 14.3332 761963.2158 -21.8522 -21.7338 PRESSURE: 2090000 -220.974 17.1753 -137.881 17.1756 -341.838 -47.7815 -137.881 -47.7821 25.9474 GPRESSURE: 2090000 -145.8 1.33472 -223.422 -58.7036 -352.202 -93.8197 -161.543 -69.5615 20.75 PRESSAVG: 2090000 25.7131 -38.8411 -12.0566 -38.8411 -49.1357 12.059 -12.0567 12.0591 3.29724 GPRESSAVG: 2090000 24.0054 -41.8419 -11.2482 -41.182 -47.3942 13.0479 -12.6095 13.1605 3.33438 TIMING: 2090000 CPU: 6680.3, 0.00315929/step Wall: 6680.3, 0.00315929/step, 2.55376 hours remaining, 233.753906 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: 2090000 3965.4271 20387.0876 14513.8781 240.5163 -203433.2303 2324.5522 0.0000 0.0000 52093.5995 -109908.1696 299.3826 -162001.7691 -109527.2488 299.1660 -178.9549 -159.0838 759741.7516 -6.7085 -6.6848 PRESSURE: 2090200 41.1229 22.998 26.2648 22.9978 -178.541 180.092 26.2648 180.093 -298.001 GPRESSURE: 2090200 36.9738 33.8861 66.5836 0.858248 -213.046 85.8138 -85.3997 243.727 -162.974 PRESSAVG: 2090200 50.6486 -43.787 13.0897 -43.787 -29.9744 26.2341 13.0897 26.234 -14.5039 GPRESSAVG: 2090200 51.8274 -40.7604 12.503 -43.1686 -30.6232 23.4713 15.0051 26.4644 -14.7495 TIMING: 2090200 CPU: 6680.93, 0.00314993/step Wall: 6680.93, 0.00314993/step, 2.54602 hours remaining, 233.753906 MB of memory in use. ENERGY: 2090200 3879.3206 20454.7112 14454.2303 244.5345 -203426.9459 2305.9166 0.0000 0.0000 51978.9194 -110109.3134 298.7236 -162088.2327 -109743.2099 298.7260 -145.1397 -113.0155 759124.1548 2.0567 2.1516 PRESSURE: 2090400 -335.041 -138.586 98.4675 -138.585 -40.5282 143.086 98.4673 143.086 -428.135 GPRESSURE: 2090400 -245.467 -70.726 63.8562 -151.062 -43.493 180.747 21.1651 81.2568 -435.957 PRESSAVG: 2090400 10.3935 9.31275 12.4439 9.31272 -32.6053 80.1521 12.4439 80.1521 30.1713 GPRESSAVG: 2090400 10.0773 8.79904 11.3724 9.88188 -33.3151 81.7378 11.8411 79.7442 30.5125 TIMING: 2090400 CPU: 6681.55, 0.00313563/step Wall: 6681.55, 0.00313563/step, 2.53428 hours remaining, 233.753906 MB of memory in use. ENERGY: 2090400 3964.6355 20394.3218 14498.2364 246.9362 -203710.8873 2695.8045 0.0000 0.0000 51988.3388 -109922.6141 298.7777 -161910.9529 -109568.8024 298.1663 -267.9016 -241.6389 760077.6185 2.6532 2.4249 PRESSURE: 2090600 -79.1949 145.014 69.0008 145.014 -266.871 23.245 69.0003 23.2449 115.365 GPRESSURE: 2090600 -100.825 182.855 57.429 119.866 -192.286 -23.3818 -62.0389 68.7831 174.913 PRESSAVG: 2090600 13.2498 38.5928 -9.23865 38.5928 -19.8698 16.6531 -9.23863 16.653 -20.7207 GPRESSAVG: 2090600 12.317 39.3749 -6.45622 39.1225 -18.8516 16.288 -10.72 17.9132 -20.7632 TIMING: 2090600 CPU: 6682.19, 0.00316523/step Wall: 6682.19, 0.00316523/step, 2.55803 hours remaining, 233.753906 MB of memory in use. ENERGY: 2090600 3971.2602 20274.0829 14450.0504 232.7379 -203470.6484 2652.7506 0.0000 0.0000 52051.9201 -109837.8463 299.1431 -161889.7664 -109467.5592 298.3619 -76.9005 -39.3993 761034.0806 -9.1136 -9.0992 PRESSURE: 2090800 399.65 -125.894 -289.158 -125.894 -133.131 4.43509 -289.158 4.43393 197.884 GPRESSURE: 2090800 396.369 -111.974 -266.071 -206.785 -22.4425 45.7432 -285.674 -5.19259 188.982 PRESSAVG: 2090800 38.7255 -10.6335 -11.6267 -10.6335 -35.5223 -3.26628 -11.6266 -3.26634 25.7313 GPRESSAVG: 2090800 39.1711 -11.9822 -12.8517 -10.2038 -35.2179 -3.52505 -12.56 -2.78293 25.6013 TIMING: 2090800 CPU: 6682.82, 0.0031676/step Wall: 6682.82, 0.0031676/step, 2.55978 hours remaining, 233.753906 MB of memory in use. ENERGY: 2090800 3966.6526 20388.7958 14519.5000 253.2880 -203535.4513 2663.1194 0.0000 0.0000 51980.5395 -109763.5561 298.7329 -161744.0955 -109402.7792 299.0337 154.8011 187.6364 761060.9578 9.6449 9.8515 PRESSURE: 2091000 271.743 -195.862 -40.7058 -195.862 -22.6814 -293.695 -40.7064 -293.696 -103.08 GPRESSURE: 2091000 299.222 -130.242 25.0342 -277.828 -29.156 -245.381 28.5288 -338.739 -56.6395 PRESSAVG: 2091000 -8.54937 -5.07183 -27.7082 -5.07181 -2.7817 -22.2987 -27.7082 -22.2987 -16.5051 GPRESSAVG: 2091000 -8.62994 -4.20508 -28.2601 -6.18005 -2.42602 -22.075 -25.0259 -23.0656 -16.1357 TIMING: 2091000 CPU: 6683.45, 0.00316642/step Wall: 6683.45, 0.00316642/step, 2.55865 hours remaining, 233.753906 MB of memory in use. ENERGY: 2091000 3969.3416 20489.5075 14511.3905 240.4603 -204036.4031 2669.1243 0.0000 0.0000 52288.3251 -109868.2538 300.5017 -162156.5790 -109494.9759 298.4923 48.6606 71.1421 760832.0762 -9.2787 -9.0639 PRESSURE: 2091200 90.1174 9.62985 -45.3606 9.63002 8.2602 83.6801 -45.3606 83.6805 -312.65 GPRESSURE: 2091200 142.24 -78.3653 -92.7405 56.9509 30.0415 88.1514 -7.72959 45.2691 -311.398 PRESSAVG: 2091200 12.7946 49.3875 6.82548 49.3875 -39.1656 -18.4672 6.8255 -18.4673 -20.1106 GPRESSAVG: 2091200 14.3326 49.8974 9.38866 50.1401 -40.5002 -20.1545 4.57057 -18.0537 -19.8363 TIMING: 2091200 CPU: 6684.08, 0.0031235/step Wall: 6684.08, 0.0031235/step, 2.52379 hours remaining, 233.753906 MB of memory in use. ENERGY: 2091200 3974.5182 20576.4470 14482.2115 245.9478 -203496.5423 2469.6556 0.0000 0.0000 51699.4000 -110048.3621 297.1172 -161747.7622 -109697.1448 298.0964 -71.4241 -46.3719 762431.9566 -15.4939 -15.3346 PRESSURE: 2091400 -335.362 -251.437 195.34 -251.436 -213.9 11.5292 195.339 11.5293 18.8684 GPRESSURE: 2091400 -202.889 -224.27 197.328 -198.171 -228.731 -16.7666 162.904 73.0513 -4.25812 PRESSAVG: 2091400 -8.00615 -0.0763035 14.8347 -0.0762466 12.814 -78.506 14.8346 -78.506 0.75866 GPRESSAVG: 2091400 -9.09101 -1.93192 12.3585 0.541427 13.0827 -76.3413 15.2641 -79.3215 1.53654 TIMING: 2091400 CPU: 6684.71, 0.00316075/step Wall: 6684.71, 0.00316075/step, 2.55371 hours remaining, 233.753906 MB of memory in use. ENERGY: 2091400 3890.2543 20362.6091 14518.9579 242.4480 -203951.3564 2783.5616 0.0000 0.0000 52125.3265 -110028.1991 299.5650 -162153.5255 -109656.4783 298.3623 -176.7979 -145.2926 762328.3190 1.8555 1.8427 PRESSURE: 2091600 3.66873 -173.795 -5.55462 -173.794 -284.517 -0.108533 -5.55386 -0.108692 185.674 GPRESSURE: 2091600 5.67302 -99.9145 -20.45 -253.449 -215.164 50.4145 -118.007 4.12432 215.701 PRESSAVG: 2091600 74.3027 -18.5551 -24.6595 -18.5551 -68.5797 -35.3728 -24.6595 -35.3729 0.284542 GPRESSAVG: 2091600 75.1034 -17.1798 -24.312 -18.5715 -67.766 -35.5217 -23.4779 -34.7408 -0.960709 TIMING: 2091600 CPU: 6685.34, 0.00316357/step Wall: 6685.34, 0.00316357/step, 2.55581 hours remaining, 233.753906 MB of memory in use. ENERGY: 2091600 3951.9256 20333.2730 14510.4369 249.5597 -203591.6768 2637.7542 0.0000 0.0000 52020.6621 -109888.0652 298.9635 -161908.7273 -109514.8164 299.1131 -31.7247 2.0701 759832.4330 2.0025 2.1255 PRESSURE: 2091800 100.701 -141.879 27.5491 -141.879 -33.2625 40.2363 27.5502 40.2362 265.966 GPRESSURE: 2091800 52.0822 -75.4306 67.2108 -185.835 68.6155 116.096 -13.5896 -140.004 274.584 PRESSAVG: 2091800 35.45 37.8662 16.353 37.8661 -48.302 -4.40699 16.3529 -4.40685 14.6351 GPRESSAVG: 2091800 35.327 38.3869 15.9331 38.5307 -48.1801 -6.16226 15.3898 -3.89084 14.6327 TIMING: 2091800 CPU: 6685.98, 0.00319895/step Wall: 6685.98, 0.00319895/step, 2.58422 hours remaining, 233.753906 MB of memory in use. ENERGY: 2091800 4022.1418 20439.0299 14394.5572 229.7353 -203663.2643 2792.7331 0.0000 0.0000 51894.7293 -109890.3377 298.2397 -161785.0670 -109529.9704 299.1871 111.1345 131.7606 759627.3600 0.5943 0.5932 PRESSURE: 2092000 -40.3814 -50.7505 188.646 -50.7513 -244.871 -72.5787 188.646 -72.5802 186.13 GPRESSURE: 2092000 -46.7781 -32.52 184.947 -22.1929 -137.427 -54.4113 134.734 43.2556 168.87 PRESSAVG: 2092000 8.14676 1.03034 50.1887 1.03034 9.9897 -9.26359 50.1888 -9.26361 -30.4921 GPRESSAVG: 2092000 7.45076 -0.772993 51.5561 -0.807049 11.0175 -6.3534 49.2719 -8.69427 -30.5836 TIMING: 2092000 CPU: 6686.62, 0.00318335/step Wall: 6686.62, 0.00318335/step, 2.57144 hours remaining, 233.753906 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: 2092000 3932.8923 20410.9901 14523.0954 217.6467 -203366.9648 2362.0340 0.0000 0.0000 52105.9672 -109814.3390 299.4537 -161920.3063 -109443.2340 299.1062 -33.0408 -5.1116 759958.0075 -4.1185 -4.0385 PRESSURE: 2092200 262.009 -34.7927 -34.275 -34.7916 -48.3356 127.208 -34.2753 127.209 363.144 GPRESSURE: 2092200 270.995 -52.0506 17.9034 -85.5164 -29.0255 106.16 -59.3257 105.457 411.982 PRESSAVG: 2092200 48.9791 -37.5285 8.56814 -37.5286 -22.4533 -77.3891 8.56814 -77.3891 -8.58345 GPRESSAVG: 2092200 48.5426 -38.5856 8.73939 -36.7589 -23.4477 -79.485 10.0252 -77.5098 -7.18582 TIMING: 2092200 CPU: 6687.25, 0.00315001/step Wall: 6687.25, 0.00315001/step, 2.54433 hours remaining, 233.753906 MB of memory in use. ENERGY: 2092200 4027.2528 20477.4264 14499.3274 246.5230 -204089.6464 2944.4218 0.0000 0.0000 51986.9281 -109907.7669 298.7696 -161894.6950 -109553.5218 299.1671 192.2722 217.9837 758625.4595 5.9808 5.9697 LDB: ============= START OF LOAD BALANCING ============== 6699.67 LDB: ============== END OF LOAD BALANCING =============== 6699.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6699.68 LDB: ============= START OF LOAD BALANCING ============== 6699.99 LDB: Largest compute 7038 load 0.035185 is 18.0% of average load 0.195454 LDB: Average compute 0.004410 is 2.3% of average load 0.195454 LDB: TIME 6699.99 LOAD: AVG 0.195454 MAX 0.213283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.906 MB LDB: TIME 6699.99 LOAD: AVG 0.195454 MAX 0.213283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.91 MB LDB: TIME 6699.99 LOAD: AVG 0.195454 MAX 0.213283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.91 MB LDB: ============== END OF LOAD BALANCING =============== 6700 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6700 PRESSURE: 2092400 25.5586 -184.681 86.4789 -184.682 401.811 -128.128 86.4791 -128.128 194.645 GPRESSURE: 2092400 126.205 -17.8041 109.502 -129.023 379.506 -128.612 97.5503 6.89468 205.551 PRESSAVG: 2092400 -51.2172 -26.148 32.7026 -26.148 -18.4622 35.2791 32.7026 35.279 20.2752 GPRESSAVG: 2092400 -51.612 -24.0315 30.3093 -26.044 -18.7401 34.8417 32.5578 33.6086 20.6267 TIMING: 2092400 CPU: 6687.89, 0.0032241/step Wall: 6687.89, 0.0032241/step, 2.604 hours remaining, 231.550781 MB of memory in use. ENERGY: 2092400 3950.0260 20429.5914 14455.8281 245.3001 -203593.4128 2757.5325 0.0000 0.0000 51858.5691 -109896.5655 298.0319 -161755.1346 -109545.5813 298.7181 207.3382 237.0875 760287.6414 -16.4681 -16.5751 PRESSURE: 2092600 125.87 -174.87 -182.082 -174.87 -96.5597 -251.192 -182.082 -251.191 -191.879 GPRESSURE: 2092600 158.645 -89.597 -228.811 -168.209 -62.5868 -338.781 -99.0891 -174.542 -177.243 PRESSAVG: 2092600 80.1625 -34.3717 8.37894 -34.3718 -32.131 -19.8206 8.37892 -19.8206 1.88794 GPRESSAVG: 2092600 79.8725 -35.5555 10.3082 -33.8145 -29.9289 -17.0053 7.7945 -19.5652 0.490775 TIMING: 2092600 CPU: 6688.53, 0.0031744/step Wall: 6688.53, 0.0031744/step, 2.56368 hours remaining, 231.621094 MB of memory in use. ENERGY: 2092600 3958.9381 20535.2736 14481.1899 240.2011 -203574.7136 2561.4924 0.0000 0.0000 52008.3266 -109789.2917 298.8926 -161797.6183 -109432.3676 298.7337 -54.1897 -27.0618 759879.1185 16.6398 16.8114 PRESSURE: 2092800 375.082 -3.90457 -130.497 -3.90513 239.435 26.0849 -130.497 26.0852 41.2873 GPRESSURE: 2092800 377.081 112.838 -217.157 -78.1799 320.658 74.4316 -108.578 57.3328 46.3404 PRESSAVG: 2092800 -17.8682 -43.4248 -20.7992 -43.4249 5.32476 27.4118 -20.7992 27.4118 -10.8231 GPRESSAVG: 2092800 -15.7127 -43.0159 -21.9885 -44.5374 3.40295 25.4137 -19.4209 28.1644 -11.1191 TIMING: 2092800 CPU: 6689.17, 0.00318848/step Wall: 6689.17, 0.00318848/step, 2.57487 hours remaining, 231.621094 MB of memory in use. ENERGY: 2092800 3990.2436 20423.1918 14472.9931 233.9593 -203890.1446 2906.9838 0.0000 0.0000 52058.7980 -109803.9749 299.1826 -161862.7729 -109435.4829 298.8841 218.6015 248.0264 758594.9112 -7.7888 -7.8096 PRESSURE: 2093000 253.857 -192.894 -61.29 -192.894 -65.5132 -23.4506 -61.2899 -23.4505 -39.8546 GPRESSURE: 2093000 231.87 -287.084 -41.4022 -64.5643 8.65119 -132.781 -57.5467 -7.81239 7.89121 PRESSAVG: 2093000 39.9735 -45.3901 -0.112295 -45.3901 -35.1321 -24.1572 -0.112322 -24.1571 -17.8275 GPRESSAVG: 2093000 39.1782 -47.222 0.365582 -44.8383 -34.4346 -25.1638 -1.67435 -23.9655 -18.2098 TIMING: 2093000 CPU: 6689.8, 0.0031445/step Wall: 6689.8, 0.0031445/step, 2.53919 hours remaining, 231.621094 MB of memory in use. ENERGY: 2093000 4008.8862 20441.2570 14508.4663 243.1454 -203500.5018 2572.5339 0.0000 0.0000 51652.0246 -110074.1885 296.8449 -161726.2131 -109717.3538 298.2017 49.4966 82.8041 758655.2816 -4.3287 -4.4887 PRESSURE: 2093200 -119.558 125.711 149.144 125.711 516.195 -55.4906 149.145 -55.4909 136.044 GPRESSURE: 2093200 -3.47568 155.783 132.675 86.1776 487.527 24.0491 65.0914 -0.404393 120.358 PRESSAVG: 2093200 40.9501 -50.0797 42.4607 -50.0798 -25.2698 -16.4957 42.4606 -16.4958 -4.37062 GPRESSAVG: 2093200 40.0046 -48.5438 44.0901 -51.0997 -26.0446 -15.8212 42.6551 -16.241 -2.80676 TIMING: 2093200 CPU: 6690.43, 0.0031775/step Wall: 6690.43, 0.0031775/step, 2.56566 hours remaining, 231.621094 MB of memory in use. ENERGY: 2093200 3932.3703 20536.8579 14543.4515 252.0313 -204024.1561 3028.4264 0.0000 0.0000 51575.0557 -110155.9631 296.4026 -161731.0188 -109800.1315 297.9275 177.5603 201.4699 759191.7409 3.7699 3.7177 PRESSURE: 2093400 -64.1619 -142.975 -47.6748 -142.976 289.167 -287.852 -47.6753 -287.851 -126.099 GPRESSURE: 2093400 -75.3574 -199.009 -74.6467 -202.795 307.005 -265.548 5.95002 -185.99 -51.8111 PRESSAVG: 2093400 -15.5218 -40.8377 55.7038 -40.8377 28.667 -8.81029 55.7038 -8.8103 -3.12292 GPRESSAVG: 2093400 -15.417 -41.6469 54.5194 -40.7808 28.6167 -8.56152 55.1519 -8.26418 -3.60859 TIMING: 2093400 CPU: 6691.07, 0.00319536/step Wall: 6691.07, 0.00319536/step, 2.5799 hours remaining, 231.621094 MB of memory in use. ENERGY: 2093400 4004.7679 20425.7468 14505.5243 242.9088 -203536.4335 2684.5873 0.0000 0.0000 51632.6233 -110040.2752 296.7334 -161672.8985 -109682.3207 298.0080 32.9688 59.9456 760613.2631 3.3408 3.1971 PRESSURE: 2093600 -30.3407 -264.274 117.843 -264.274 -236.718 318.538 117.844 318.538 -99.5019 GPRESSURE: 2093600 11.2135 -121.912 21.4701 -288.644 -219.924 306.012 81.2337 250.809 -68.3457 PRESSAVG: 2093600 13.3233 -43.3598 39.6538 -43.3597 12.6051 10.6504 39.6538 10.6504 8.49105 GPRESSAVG: 2093600 14.0046 -42.4874 39.4024 -43.2959 11.901 9.07638 40.3993 11.4395 8.79661 TIMING: 2093600 CPU: 6691.71, 0.00319327/step Wall: 6691.71, 0.00319327/step, 2.57804 hours remaining, 231.621094 MB of memory in use. ENERGY: 2093600 3994.7698 20463.3471 14445.4503 234.3489 -203818.0436 2654.8754 0.0000 0.0000 51871.2586 -110153.9934 298.1048 -162025.2520 -109788.3267 298.3059 -122.1869 -92.3520 760736.9802 11.4732 11.5674 PRESSURE: 2093800 -298.588 -256.355 170.124 -256.355 -380.053 76.1337 170.124 76.1338 -159.227 GPRESSURE: 2093800 -285.332 -189.225 127.781 -183.233 -252.185 35.8495 96.9803 11.2937 -248.597 PRESSAVG: 2093800 48.0855 -25.0273 19.2162 -25.0273 -40.4926 33.1029 19.2162 33.1029 10.8685 GPRESSAVG: 2093800 48.4502 -23.7884 20.2595 -24.8884 -39.5913 35.3828 19.0768 30.0406 9.59476 TIMING: 2093800 CPU: 6692.35, 0.00318754/step Wall: 6692.35, 0.00318754/step, 2.57323 hours remaining, 231.621094 MB of memory in use. ENERGY: 2093800 3925.8192 20439.1368 14432.3329 235.6939 -203890.2630 2695.5202 0.0000 0.0000 51909.6736 -110252.0864 298.3256 -162161.7600 -109885.1110 298.3728 -279.2896 -262.0378 762267.0115 6.1538 6.1512 PRESSURE: 2094000 117.289 -12.38 94.7625 -12.3802 -216.691 105.118 94.7609 105.118 88.0093 GPRESSURE: 2094000 128.942 -23.1856 85.467 35.9111 -197.267 52.8821 83.3163 14.1666 142.258 PRESSAVG: 2094000 -27.9553 -20.1401 6.84606 -20.1401 -25.6687 -15.2966 6.84606 -15.2966 2.34061 GPRESSAVG: 2094000 -27.4778 -21.0611 7.74635 -18.5814 -25.0509 -16.5468 6.91206 -14.5407 1.3656 TIMING: 2094000 CPU: 6692.98, 0.00316889/step Wall: 6692.98, 0.00316889/step, 2.558 hours remaining, 231.621094 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: 2094000 3983.0752 20611.3947 14399.0707 244.8269 -204321.9705 2990.7342 0.0000 0.0000 52004.3451 -110088.5237 298.8697 -162092.8688 -109724.0651 298.1092 -3.7976 24.6444 761384.5506 -17.0944 -17.0544 PRESSURE: 2094200 -51.0504 70.0387 -211.912 70.0393 -258.365 -45.8813 -211.912 -45.8814 -260.853 GPRESSURE: 2094200 65.3045 -39.4629 -240.682 64.2115 -235.286 -102.797 -108.661 -98.4241 -305.899 PRESSAVG: 2094200 55.7422 -51.2285 -29.5251 -51.2286 -26.0971 -15.4429 -29.5251 -15.4429 0.583758 GPRESSAVG: 2094200 55.6676 -51.8997 -30.6861 -50.941 -28.0172 -16.6487 -29.848 -15.6223 2.50252 TIMING: 2094200 CPU: 6693.61, 0.00316143/step Wall: 6693.61, 0.00316143/step, 2.5518 hours remaining, 231.621094 MB of memory in use. ENERGY: 2094200 4016.3666 20555.1753 14444.8226 258.9341 -203683.1612 2481.8356 0.0000 0.0000 51747.6822 -110178.3448 297.3946 -161926.0270 -109818.9095 298.5557 -190.0895 -158.6269 760655.0421 10.0763 10.0510 PRESSURE: 2094400 -277.255 3.4365 -56.7806 3.43622 152.913 -35.7866 -56.7808 -35.7873 113.46 GPRESSURE: 2094400 -129.423 51.057 -73.6298 -57.5854 97.9995 -16.9119 -112.753 4.80202 93.2231 PRESSAVG: 2094400 4.23771 -23.912 1.22549 -23.912 -41.0375 3.04049 1.22556 3.04048 -8.11187 GPRESSAVG: 2094400 3.13837 -22.7091 2.23716 -26.5469 -39.3696 4.38036 -2.32533 3.05713 -8.39952 TIMING: 2094400 CPU: 6694.25, 0.00317312/step Wall: 6694.25, 0.00317312/step, 2.56106 hours remaining, 231.621094 MB of memory in use. ENERGY: 2094400 3915.7018 20384.1603 14526.7743 231.2738 -203495.3294 2478.6928 0.0000 0.0000 52009.4198 -109949.3066 298.8989 -161958.7264 -109580.3152 298.3081 -3.6275 20.6000 760951.1997 -14.9705 -14.8769 PRESSURE: 2094600 288.801 -185.135 -29.2562 -185.135 113.022 -172.46 -29.2547 -172.46 52.2538 GPRESSURE: 2094600 395.175 -189.822 28.8455 -191.049 97.0185 -169.386 -122.984 -120.224 40.4734 PRESSAVG: 2094600 86.2047 -44.6811 -65.3301 -44.681 -80.029 -25.2641 -65.3302 -25.2641 -11.1562 GPRESSAVG: 2094600 86.7222 -43.1105 -67.6561 -43.3559 -80.8255 -25.5758 -60.3107 -24.5664 -11.2599 TIMING: 2094600 CPU: 6694.88, 0.00315888/step Wall: 6694.88, 0.00315888/step, 2.54939 hours remaining, 231.621094 MB of memory in use. ENERGY: 2094600 3962.1320 20370.5944 14489.7673 263.1649 -204050.4817 2897.9553 0.0000 0.0000 52228.7097 -109838.1581 300.1591 -162066.8678 -109462.5086 298.7999 151.3588 177.5556 758768.7210 -1.6602 -1.7877 PRESSURE: 2094800 -67.7458 149.878 -343.96 149.877 -195.499 -106.621 -343.961 -106.621 -253.797 GPRESSURE: 2094800 -81.5338 59.3027 -379.308 121.785 -66.5209 -90.3206 -201.152 -48.6261 -285.166 PRESSAVG: 2094800 66.6568 6.86578 -3.91942 6.86582 -64.8833 -0.67308 -3.91941 -0.673128 13.1722 GPRESSAVG: 2094800 65.8445 4.79165 -2.78897 4.7902 -63.7993 -0.839194 -6.06166 0.0493357 12.625 TIMING: 2094800 CPU: 6695.51, 0.00316158/step Wall: 6695.51, 0.00316158/step, 2.55139 hours remaining, 231.621094 MB of memory in use. ENERGY: 2094800 4042.2695 20411.7695 14472.8374 252.1475 -203675.3487 2586.7580 0.0000 0.0000 51907.2273 -110002.3395 298.3115 -161909.5668 -109644.8994 299.0124 -172.3472 -144.4069 761319.6833 4.9819 4.8901 PRESSURE: 2095000 -73.8109 -142.315 138.69 -142.315 -0.511613 294.136 138.69 294.136 328.733 GPRESSURE: 2095000 -53.7795 -231.305 173.36 -57.1795 65.1022 223.027 -3.89936 203.248 330.363 PRESSAVG: 2095000 53.6654 -32.278 -29.0523 -32.278 -26.9486 7.90821 -29.0524 7.90828 1.18205 GPRESSAVG: 2095000 52.676 -31.2018 -27.4843 -31.9102 -27.9077 7.09542 -28.2981 7.49142 2.79832 TIMING: 2095000 CPU: 6696.14, 0.0031378/step Wall: 6696.14, 0.0031378/step, 2.53203 hours remaining, 231.621094 MB of memory in use. ENERGY: 2095000 3952.4679 20356.6705 14470.4157 238.4502 -203711.8783 2602.4385 0.0000 0.0000 52243.5397 -109847.8959 300.2443 -162091.4355 -109480.9215 298.5671 84.8033 113.8953 759135.2978 9.2996 9.1889 PRESSURE: 2095200 -329.919 83.7836 -78.5072 83.7824 -233.515 -116.781 -78.5077 -116.782 -121.523 GPRESSURE: 2095200 -306.08 222.931 -85.8967 -3.97657 -141.709 -130.568 -55.2721 -159.119 -159.861 PRESSAVG: 2095200 -22.105 25.2233 20.5638 25.2233 41.7619 -53.9163 20.5638 -53.9163 11.5404 GPRESSAVG: 2095200 -21.6491 24.4337 18.8868 29.7104 42.431 -53.095 21.2833 -52.3688 10.6208 TIMING: 2095200 CPU: 6696.77, 0.0031432/step Wall: 6696.77, 0.0031432/step, 2.53621 hours remaining, 231.621094 MB of memory in use. ENERGY: 2095200 3938.5318 20415.0176 14478.4551 240.2813 -203552.2882 2466.4520 0.0000 0.0000 52019.4337 -109994.1168 298.9564 -162013.5504 -109628.3934 298.5724 -228.3193 -202.5501 762009.1152 10.3991 10.4676 PRESSURE: 2095400 294.458 -122.147 8.4025 -122.147 -143.204 -26.2831 8.40314 -26.2842 -32.1599 GPRESSURE: 2095400 296.589 -182.92 -80.1004 -10.5247 -115.312 -71.5842 64.0325 20.8079 9.43809 PRESSAVG: 2095400 30.2164 -67.4458 -9.77947 -67.4458 1.39392 -25.8773 -9.77942 -25.8772 4.37196 GPRESSAVG: 2095400 30.471 -65.2036 -10.7225 -71.178 0.199809 -26.3225 -11.184 -27.1064 4.96357 TIMING: 2095400 CPU: 6697.4, 0.00314631/step Wall: 6697.4, 0.00314631/step, 2.53855 hours remaining, 231.621094 MB of memory in use. ENERGY: 2095400 4088.1199 20455.9052 14494.5792 263.9766 -204382.3308 3109.9009 0.0000 0.0000 52004.3791 -109965.4700 298.8699 -161969.8490 -109611.2597 298.3326 39.6980 63.5717 758841.5915 11.9941 11.8781 PRESSURE: 2095600 74.4506 18.2401 1.75478 18.2394 169.318 34.408 1.75511 34.4083 -173.846 GPRESSURE: 2095600 171.115 -71.1772 21.4218 -27.4638 193.629 10.018 -31.0231 114.45 -211.603 PRESSAVG: 2095600 3.42286 -48.7033 4.44673 -48.7033 3.12568 0.430904 4.44679 0.430905 -3.02235 GPRESSAVG: 2095600 4.06602 -50.5478 7.93863 -49.1487 2.97173 0.0569171 2.61153 0.344424 -4.06562 TIMING: 2095600 CPU: 6698.03, 0.00314256/step Wall: 6698.03, 0.00314256/step, 2.53535 hours remaining, 231.621094 MB of memory in use. ENERGY: 2095600 4050.3916 20461.5926 14497.0072 262.2678 -203939.6161 2896.9260 0.0000 0.0000 51930.8501 -109840.5808 298.4473 -161771.4309 -109474.3168 298.6663 23.3074 51.0470 761003.2267 1.1754 0.9907 PRESSURE: 2095800 135.109 3.13576 -81.7645 3.13636 -348.429 140.448 -81.7649 140.447 261.381 GPRESSURE: 2095800 119.494 34.4714 -73.2798 -59.983 -283.563 183.192 -65.8126 113.345 294.777 PRESSAVG: 2095800 -0.262156 -32.9281 -26.116 -32.9282 -36.5503 -3.95257 -26.116 -3.95257 22.9037 GPRESSAVG: 2095800 -1.38421 -33.8292 -26.9111 -32.8342 -35.8531 -2.83801 -25.105 -5.07631 23.5689 TIMING: 2095800 CPU: 6698.66, 0.00317352/step Wall: 6698.66, 0.00317352/step, 2.56015 hours remaining, 231.621094 MB of memory in use. ENERGY: 2095800 3962.3621 20551.7157 14436.7174 282.3447 -203236.6520 2372.3977 0.0000 0.0000 51782.4722 -109848.6422 297.5946 -161631.1145 -109488.6870 298.4388 16.0203 43.5695 761729.5379 -4.6362 -4.5561 PRESSURE: 2096000 -107.61 -184.051 -116.63 -184.051 -134.531 -23.6903 -116.63 -23.6916 -90.5664 GPRESSURE: 2096000 -178.353 -48.6086 -166.646 -85.7636 -21.8727 5.58555 77.2278 -186.04 -39.8511 PRESSAVG: 2096000 69.4561 -43.7813 11.2357 -43.7812 -46.3629 -8.41415 11.2357 -8.41416 -17.4277 GPRESSAVG: 2096000 70.5588 -40.8156 10.2228 -43.4822 -46.8547 -8.82118 12.2142 -8.18721 -18.0306 TIMING: 2096000 CPU: 6699.29, 0.00315801/step Wall: 6699.29, 0.00315801/step, 2.54747 hours remaining, 231.621094 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: 2096000 3987.5499 20325.1505 14445.0708 229.1089 -203487.1677 2600.7889 0.0000 0.0000 52077.1318 -109822.3668 299.2880 -161899.4986 -109455.6408 298.5847 -110.9025 -80.0255 759235.5500 1.8885 1.8912 PRESSURE: 2096200 -28.4384 -14.4131 -242.702 -14.4126 51.6455 -8.24239 -242.702 -8.24187 153.706 GPRESSURE: 2096200 -23.8079 -74.1899 -159.621 51.3781 44.0677 10.9452 -235.275 212.527 250.272 PRESSAVG: 2096200 33.7378 45.1441 -23.5661 45.1442 -37.1169 21.4871 -23.5661 21.4872 -1.90051 GPRESSAVG: 2096200 33.0082 44.6029 -22.9692 45.4044 -37.1675 20.8738 -24.7013 22.9532 -1.3795 TIMING: 2096200 CPU: 6699.92, 0.00314811/step Wall: 6699.92, 0.00314811/step, 2.5393 hours remaining, 231.621094 MB of memory in use. ENERGY: 2096200 3923.9136 20534.3092 14509.0810 247.0978 -203963.6188 2922.1552 0.0000 0.0000 52305.6974 -109521.3646 300.6016 -161827.0619 -109156.8383 299.3953 58.9710 90.1771 761121.9731 -1.7599 -1.8463 LDB: ============= START OF LOAD BALANCING ============== 6712.34 LDB: ============== END OF LOAD BALANCING =============== 6712.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.34 LDB: ============= START OF LOAD BALANCING ============== 6712.66 LDB: Largest compute 7038 load 0.034256 is 17.5% of average load 0.195472 LDB: Average compute 0.004387 is 2.2% of average load 0.195472 LDB: TIME 6712.66 LOAD: AVG 0.195472 MAX 0.212271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.73 MB LDB: TIME 6712.66 LOAD: AVG 0.195472 MAX 0.212271 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: TIME 6712.66 LOAD: AVG 0.195472 MAX 0.212271 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.73 MB LDB: ============== END OF LOAD BALANCING =============== 6712.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.67 PRESSURE: 2096400 225.507 21.9604 47.4659 21.961 -114.96 -46.6286 47.4653 -46.628 -141.605 GPRESSURE: 2096400 253.857 112.224 7.78195 -114.44 -114.323 -74.8266 -4.93056 1.51502 -69.0584 PRESSAVG: 2096400 18.322 0.957476 -80.3043 0.957456 -12.6487 -34.8336 -80.3042 -34.8336 14.8515 GPRESSAVG: 2096400 17.5363 0.664344 -79.7917 -1.40814 -11.8037 -34.3706 -80.9323 -36.3323 14.9175 TIMING: 2096400 CPU: 6700.56, 0.00320931/step Wall: 6700.56, 0.00320931/step, 2.58849 hours remaining, 230.800781 MB of memory in use. ENERGY: 2096400 3917.9667 20417.9568 14435.1913 244.8424 -203469.0559 2593.0863 0.0000 0.0000 52159.3593 -109700.6531 299.7606 -161860.0124 -109331.7161 299.4291 -10.3527 23.4919 760583.2693 6.8416 6.8834 PRESSURE: 2096600 136.653 -39.5497 -64.0239 -39.5498 186.805 76.0669 -64.0243 76.067 522.537 GPRESSURE: 2096600 251.413 141.352 -71.4615 7.57758 157.739 50.1685 -142.188 83.1926 515.544 PRESSAVG: 2096600 -23.0498 0.204957 1.61159 0.20499 8.50036 29.5638 1.61152 29.5638 4.25338 GPRESSAVG: 2096600 -20.4813 0.772567 1.12184 2.05159 7.84795 29.8817 2.88408 28.1999 2.13512 TIMING: 2096600 CPU: 6701.19, 0.00314332/step Wall: 6701.19, 0.00314332/step, 2.53509 hours remaining, 230.800781 MB of memory in use. ENERGY: 2096600 3871.1890 20571.4481 14467.5418 251.9236 -203500.6305 2702.0937 0.0000 0.0000 51957.0075 -109679.4268 298.5976 -161636.4343 -109314.3758 299.0775 281.9984 308.2318 761235.4877 -3.4320 -3.4994 PRESSURE: 2096800 242.775 229.267 109.278 229.267 442.055 -157.033 109.277 -157.032 172.449 GPRESSURE: 2096800 350.101 174.232 186.368 220.799 419.547 -158.874 38.1569 -197.563 186.15 PRESSAVG: 2096800 10.8213 6.2576 4.80145 6.25763 -12.9599 0.981989 4.80149 0.981971 -1.06002 GPRESSAVG: 2096800 9.02735 4.86625 4.81692 6.7416 -13.799 -0.18657 4.24352 2.83943 1.60256 TIMING: 2096800 CPU: 6701.82, 0.00312723/step Wall: 6701.82, 0.00312723/step, 2.52194 hours remaining, 230.800781 MB of memory in use. ENERGY: 2096800 3930.8345 20424.8758 14463.5651 240.1510 -203832.5466 3052.3219 0.0000 0.0000 52105.6242 -109615.1741 299.4517 -161720.7982 -109255.6513 299.2153 285.7597 318.5992 760014.0638 -1.0662 -1.0564 PRESSURE: 2097000 192.71 143.379 -170.051 143.38 -299.071 4.24611 -170.05 4.24592 -107.332 GPRESSURE: 2097000 173.144 -90.8922 -74.4409 103.109 -92.6575 59.5957 -187.315 66.0714 -218.589 PRESSAVG: 2097000 40.2246 -10.016 35.078 -10.016 -65.096 40.5337 35.0781 40.5338 -9.59446 GPRESSAVG: 2097000 41.3479 -9.52113 35.5416 -10.4729 -64.1753 40.6845 36.9152 40.6837 -11.1113 TIMING: 2097000 CPU: 6702.44, 0.00313279/step Wall: 6702.44, 0.00313279/step, 2.52625 hours remaining, 230.800781 MB of memory in use. ENERGY: 2097000 3925.9817 20379.8278 14528.3228 247.4357 -203431.0729 2590.4345 0.0000 0.0000 52231.8593 -109527.2111 300.1772 -161759.0704 -109150.5479 299.6556 -71.2312 -46.0340 761915.3527 -11.4886 -11.3129 PRESSURE: 2097200 21.5964 -40.8749 -16.2188 -40.8749 -128.525 -57.2697 -16.2198 -57.2697 -20.2829 GPRESSURE: 2097200 -52.6304 -121.542 -39.971 -36.9353 26.9854 -66.6479 -95.3988 -67.8368 2.67626 PRESSAVG: 2097200 66.6388 -17.4485 -25.7057 -17.4485 -26.5166 -22.7205 -25.7058 -22.7205 -19.5515 GPRESSAVG: 2097200 64.9892 -18.6635 -27.1888 -16.9461 -26.1326 -21.4926 -29.8773 -24.4951 -18.4565 TIMING: 2097200 CPU: 6703.07, 0.00313617/step Wall: 6703.07, 0.00313617/step, 2.5288 hours remaining, 230.800781 MB of memory in use. ENERGY: 2097200 3973.8709 20554.2958 14548.7312 243.0941 -203503.3739 2537.1626 0.0000 0.0000 52026.9574 -109619.2619 298.9996 -161646.2193 -109252.6527 299.1770 -42.4037 -7.6562 762534.1642 6.8569 6.8001 PRESSURE: 2097400 -312.132 -0.0143951 71.3822 -0.0145485 -82.1067 -80.0131 71.3825 -80.0127 189.082 GPRESSURE: 2097400 -224.879 -11.5804 19.894 -79.4935 -58.6291 -102.055 62.8805 -169.406 169.408 PRESSAVG: 2097400 47.4973 -43.206 0.287236 -43.206 -59.8066 -25.9166 0.287216 -25.9165 19.9842 GPRESSAVG: 2097400 48.6145 -43.4113 0.862383 -44.9112 -60.2268 -26.2483 1.72465 -24.6987 19.84 TIMING: 2097400 CPU: 6703.7, 0.00316172/step Wall: 6703.7, 0.00316172/step, 2.54922 hours remaining, 230.800781 MB of memory in use. ENERGY: 2097400 3955.5510 20631.8421 14507.2625 236.8430 -203281.4837 2459.8434 0.0000 0.0000 52015.4181 -109474.7237 298.9333 -161490.1418 -109115.4924 299.6091 -68.3853 -38.0334 761649.1093 2.5583 2.7425 PRESSURE: 2097600 -325.825 -169.768 -250.093 -169.768 -200.821 -108.519 -250.093 -108.519 224.41 GPRESSURE: 2097600 -316.257 -128.273 -371.346 -79.8495 -144.56 -107.43 -87.9657 -19.3311 233.935 PRESSAVG: 2097600 7.50052 -56.0879 32.1461 -56.088 -5.53445 -27.6657 32.1462 -27.6657 22.6561 GPRESSAVG: 2097600 6.99743 -54.3808 32.0623 -55.343 -6.95414 -27.3644 35.0944 -28.2289 24.4621 TIMING: 2097600 CPU: 6704.34, 0.0031571/step Wall: 6704.34, 0.0031571/step, 2.54532 hours remaining, 230.800781 MB of memory in use. ENERGY: 2097600 4133.9631 20684.8871 14420.5067 251.1438 -203544.4603 2663.1092 0.0000 0.0000 52057.2232 -109333.6272 299.1736 -161390.8503 -108975.2256 299.7601 -100.7452 -75.6270 761773.4301 8.2074 8.1685 PRESSURE: 2097800 310.464 -90.1775 16.358 -90.1775 61.627 16.5922 16.3574 16.5924 -35.1202 GPRESSURE: 2097800 398.314 -66.1841 -38.0006 -167.931 105.623 -29.4844 -48.0865 131.814 -65.488 PRESSAVG: 2097800 -1.70252 -95.397 14.1211 -95.3969 2.73208 16.8939 14.1212 16.8939 -26.4584 GPRESSAVG: 2097800 -1.97146 -95.0736 15.0884 -94.8779 3.39959 14.9577 11.5007 18.5596 -26.4474 TIMING: 2097800 CPU: 6704.97, 0.003151/step Wall: 6704.97, 0.003151/step, 2.54023 hours remaining, 230.800781 MB of memory in use. ENERGY: 2097800 4035.1160 20589.5676 14420.3002 254.7817 -203242.8543 2360.4292 0.0000 0.0000 52202.8175 -109379.8422 300.0103 -161582.6597 -109027.2009 299.5458 112.3235 146.1498 761605.8508 -8.4763 -8.3398 PRESSURE: 2098000 -95.9318 39.3145 -138.27 39.314 373.162 -92.2702 -138.271 -92.2699 -279.087 GPRESSURE: 2098000 -26.916 -42.9317 -146.71 44.6793 364.821 -94.3 -236.461 -33.9268 -249.447 PRESSAVG: 2098000 -34.3438 -51.4371 -3.38272 -51.4371 17.7928 3.40707 -3.38275 3.40709 0.411546 GPRESSAVG: 2098000 -34.5143 -50.779 -5.20329 -51.7462 18.1274 4.52755 -2.00872 1.54047 -0.276798 TIMING: 2098000 CPU: 6705.6, 0.00317069/step Wall: 6705.6, 0.00317069/step, 2.55593 hours remaining, 230.800781 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: 2098000 3951.8963 20538.0662 14454.3014 258.6016 -203374.5854 2687.7415 0.0000 0.0000 52054.6966 -109429.2818 299.1591 -161483.9784 -109068.0806 299.7258 -0.6189 29.4862 761410.3685 -5.3798 -5.5546 PRESSURE: 2098200 -209.92 77.0239 6.89109 77.0233 208.613 -131.94 6.8915 -131.941 267.472 GPRESSURE: 2098200 -158.718 117.972 32.5166 56.083 199.653 -111.596 29.2481 -177.473 329.404 PRESSAVG: 2098200 30.9101 -58.9364 22.1551 -58.9364 -29.198 -53.07 22.1551 -53.07 -6.32526 GPRESSAVG: 2098200 32.588 -59.5319 23.0047 -57.8096 -29.9125 -53.4291 22.4306 -52.9658 -7.41277 TIMING: 2098200 CPU: 6706.23, 0.00315238/step Wall: 6706.23, 0.00315238/step, 2.541 hours remaining, 230.800781 MB of memory in use. ENERGY: 2098200 3956.8055 20565.3131 14408.7517 248.7029 -203273.2721 2487.9412 0.0000 0.0000 52239.6249 -109366.1328 300.2218 -161605.7577 -108998.1295 299.9349 88.7217 123.4465 760738.1691 -1.5377 -1.5791 PRESSURE: 2098400 227.042 -16.6786 141.362 -16.6786 -219.329 -61.8369 141.362 -61.8357 65.1731 GPRESSURE: 2098400 188.155 -28.7008 67.0413 -95.3823 -121.128 -111.934 165.643 -137.503 90.2519 PRESSAVG: 2098400 -11.8807 -46.4892 -41.0983 -46.4893 -6.50312 -72.885 -41.0983 -72.8851 -23.3319 GPRESSAVG: 2098400 -12.0046 -46.3881 -41.5883 -47.0875 -7.42528 -73.8537 -41.1163 -71.3354 -22.2614 TIMING: 2098400 CPU: 6706.87, 0.00317514/step Wall: 6706.87, 0.00317514/step, 2.55916 hours remaining, 230.800781 MB of memory in use. ENERGY: 2098400 3983.3398 20546.3857 14530.6822 242.5866 -203590.3381 2763.5650 0.0000 0.0000 52180.8333 -109342.9455 299.8840 -161523.7788 -108968.9277 300.0441 24.2952 52.4262 759017.6289 -13.9052 -13.8971 PRESSURE: 2098600 -173.122 18.2737 -85.8337 18.2733 -52.149 148.769 -85.8339 148.768 -201.749 GPRESSURE: 2098600 -119.965 -47.797 -82.8004 -51.2026 -5.04513 93.2729 -92.2888 170.538 -231.207 PRESSAVG: 2098600 90.3385 -39.4987 -20.9155 -39.4988 -88.6254 -59.8755 -20.9156 -59.8756 -8.031 GPRESSAVG: 2098600 89.7867 -39.7532 -19.2293 -39.7876 -87.8184 -58.1469 -20.9839 -61.2652 -8.29726 TIMING: 2098600 CPU: 6707.5, 0.0031627/step Wall: 6707.5, 0.0031627/step, 2.54896 hours remaining, 230.800781 MB of memory in use. ENERGY: 2098600 4037.8422 20636.9635 14469.4164 251.3765 -203335.4537 2268.2433 0.0000 0.0000 52257.8000 -109413.8118 300.3263 -161671.6118 -109041.5297 300.1907 -142.3400 -118.7393 761559.1010 -2.1060 -2.1096 PRESSURE: 2098800 6.73792 -16.8319 101.206 -16.8326 75.9926 28.3375 101.206 28.3374 -229.34 GPRESSURE: 2098800 27.4655 -65.1117 255.146 84.9725 112.539 63.2401 114.064 -26.168 -207.063 PRESSAVG: 2098800 1.93056 -10.8269 68.6835 -10.8268 3.88277 -15.9803 68.6835 -15.9804 -13.5506 GPRESSAVG: 2098800 3.48509 -12.3418 69.3619 -9.10421 2.92432 -17.857 68.9392 -16.0643 -14.1601 TIMING: 2098800 CPU: 6708.13, 0.00317028/step Wall: 6708.13, 0.00317028/step, 2.55489 hours remaining, 230.800781 MB of memory in use. ENERGY: 2098800 3928.5579 20470.5599 14466.0503 246.6752 -203402.0251 2499.9371 0.0000 0.0000 52224.6009 -109565.6437 300.1355 -161790.2446 -109196.1962 299.9229 -48.8697 -22.3526 760403.4375 -2.5791 -2.5835 PRESSURE: 2099000 249.134 -38.5829 113.26 -38.5832 139.785 -61.7391 113.259 -61.7396 -335.788 GPRESSURE: 2099000 309.896 -33.9611 167.593 -66.2137 139.299 -110.912 54.5805 -11.1335 -299.209 PRESSAVG: 2099000 41.266 40.9696 64.9888 40.9696 -53.9739 -29.4705 64.9888 -29.4706 -12.1103 GPRESSAVG: 2099000 40.1222 42.7913 65.0251 39.3717 -53.4756 -28.0633 64.1936 -27.1586 -11.9616 TIMING: 2099000 CPU: 6708.76, 0.00316019/step Wall: 6708.76, 0.00316019/step, 2.54658 hours remaining, 230.800781 MB of memory in use. ENERGY: 2099000 4030.3087 20301.4866 14486.8749 241.1159 -203220.7571 2605.0068 0.0000 0.0000 52187.0445 -109368.9197 299.9197 -161555.9642 -108997.0622 299.5984 17.7106 49.9957 760618.8160 -8.2727 -8.4383 PRESSURE: 2099200 116.112 -60.8632 16.0276 -60.8639 236.746 145.141 16.0263 145.141 -71.9991 GPRESSURE: 2099200 182.539 -94.0516 14.2685 -34.9977 334.038 129.836 15.156 211.344 -102.668 PRESSAVG: 2099200 79.4543 -13.6121 47.2989 -13.6122 -60.0672 -45.2178 47.2989 -45.2177 13.3947 GPRESSAVG: 2099200 79.2034 -13.0433 46.3456 -13.761 -60.7493 -45.6151 46.4274 -46.728 14.3913 TIMING: 2099200 CPU: 6709.4, 0.00316674/step Wall: 6709.4, 0.00316674/step, 2.55169 hours remaining, 230.800781 MB of memory in use. ENERGY: 2099200 3925.4664 20435.9937 14530.9442 249.4015 -203394.7071 2642.0225 0.0000 0.0000 52244.1852 -109366.6936 300.2481 -161610.8788 -109006.1933 300.0317 93.6195 137.9693 760896.0289 10.9273 10.9485 PRESSURE: 2099400 -137.037 -130.105 208.117 -130.105 132.098 -4.81361 208.117 -4.8133 -242.925 GPRESSURE: 2099400 -52.3729 -70.6054 125.423 -214.344 27.1803 70.5374 295.173 62.0668 -140.821 PRESSAVG: 2099400 -23.8986 -36.725 7.81482 -36.725 16.2588 -20.1192 7.81482 -20.1193 0.681922 GPRESSAVG: 2099400 -22.8698 -37.7891 7.46218 -36.2268 15.9344 -20.3568 11.7281 -19.8837 0.35424 TIMING: 2099400 CPU: 6710.03, 0.00315778/step Wall: 6710.03, 0.00315778/step, 2.5443 hours remaining, 230.800781 MB of memory in use. ENERGY: 2099400 3988.9416 20543.1978 14440.9449 230.2493 -203056.1881 2381.5679 0.0000 0.0000 52088.9934 -109382.2932 299.3562 -161471.2866 -109017.9464 299.5408 -82.6212 -55.3379 761637.4794 -2.3193 -2.1937 PRESSURE: 2099600 170.995 8.91836 -62.9848 8.91839 121.634 -433.399 -62.9838 -433.399 590.991 GPRESSURE: 2099600 168.357 22.9066 -71.2844 182.544 149.532 -350.183 -68.1271 -410.26 643.512 PRESSAVG: 2099600 -5.51389 25.2941 -13.6546 25.2942 -46.8939 -27.5782 -13.6546 -27.5783 -14.1894 GPRESSAVG: 2099600 -6.35655 26.2795 -14.1499 25.9549 -46.9992 -27.6579 -13.6403 -27.4978 -13.2675 TIMING: 2099600 CPU: 6710.66, 0.00314219/step Wall: 6710.66, 0.00314219/step, 2.53156 hours remaining, 230.800781 MB of memory in use. ENERGY: 2099600 3937.7547 20626.3903 14426.3587 221.0714 -203325.7970 2629.9788 0.0000 0.0000 52115.5437 -109368.6994 299.5087 -161484.2431 -109008.7916 299.0555 294.5400 320.4670 760114.8840 -22.1991 -22.2078 PRESSURE: 2099800 250.979 -146.727 -36.375 -146.727 266.595 -100.874 -36.3756 -100.873 159.96 GPRESSURE: 2099800 241.232 -233.676 3.9784 -236.225 330.89 -69.786 -67.8271 -15.5772 168.357 PRESSAVG: 2099800 94.0671 -46.3949 41.5879 -46.395 -42.0067 -43.0172 41.588 -43.0172 -2.6297 GPRESSAVG: 2099800 94.5759 -49.1383 40.9061 -48.8436 -41.759 -42.3594 41.3525 -39.047 -3.45136 TIMING: 2099800 CPU: 6711.29, 0.00316691/step Wall: 6711.29, 0.00316691/step, 2.5513 hours remaining, 230.800781 MB of memory in use. ENERGY: 2099800 3919.6923 20490.8779 14478.2321 242.0552 -203668.4947 2708.7953 0.0000 0.0000 52257.1149 -109571.7269 300.3224 -161828.8418 -109202.1799 299.8739 225.8447 246.8265 760687.7218 16.4769 16.4552 WRITING COORDINATES TO DCD FILE MD.4.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: 2100000 299.413 58.5255 -114.117 58.5258 -369.558 192.406 -114.117 192.405 -180.87 GPRESSURE: 2100000 363.51 31.7594 -101.294 96.6774 -268.743 253.608 -44.5631 36.842 -265.219 PRESSAVG: 2100000 52.2704 -70.5617 -2.81522 -70.5618 -58.9566 -32.8304 -2.81525 -32.8304 -12.7907 GPRESSAVG: 2100000 52.5747 -69.3602 -1.74053 -69.192 -59.7447 -34.0046 -5.20704 -35.0029 -11.8285 TIMING: 2100000 CPU: 6711.95, 0.0032754/step Wall: 6711.95, 0.0032754/step, 2.63852 hours remaining, 232.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2100000 3962.3038 20595.8586 14508.5714 251.7426 -203296.7225 2205.0887 0.0000 0.0000 52044.0791 -109729.0784 299.0980 -161773.1575 -109365.9621 299.5969 -83.6718 -56.8175 759060.9706 -6.4923 -6.3328 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 PRESSURE: 2100200 -204.906 104.346 153.074 104.345 181.479 115.939 153.074 115.939 -121.986 GPRESSURE: 2100200 -108.03 146.337 105.111 33.0162 153.493 113.178 109.576 73.6162 -99.0789 PRESSAVG: 2100200 88.528 -8.64436 19.1631 -8.64444 -69.448 -13.0599 19.1631 -13.06 -13.9963 GPRESSAVG: 2100200 87.3457 -7.85312 18.4585 -10.1492 -68.2821 -13.7889 21.0764 -12.2462 -13.537 TIMING: 2100200 CPU: 6712.58, 0.00318318/step Wall: 6712.58, 0.00318318/step, 2.56405 hours remaining, 232.652344 MB of memory in use. ENERGY: 2100200 3975.2118 20448.2407 14521.9405 242.2490 -203436.2645 2442.5968 0.0000 0.0000 52051.8719 -109754.1537 299.1428 -161806.0257 -109394.5761 298.9597 -48.4711 -17.8718 762415.5041 1.6945 1.8422 LDB: ============= START OF LOAD BALANCING ============== 6725 LDB: ============== END OF LOAD BALANCING =============== 6725 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6725 LDB: ============= START OF LOAD BALANCING ============== 6725.32 LDB: Largest compute 7038 load 0.035768 is 18.3% of average load 0.195456 LDB: Average compute 0.004413 is 2.3% of average load 0.195456 LDB: TIME 6725.33 LOAD: AVG 0.195456 MAX 0.213015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.449 MB LDB: TIME 6725.33 LOAD: AVG 0.195456 MAX 0.213015 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.449 MB LDB: TIME 6725.33 LOAD: AVG 0.195456 MAX 0.213015 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.449 MB LDB: ============== END OF LOAD BALANCING =============== 6725.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6725.33 PRESSURE: 2100400 26.7231 -284.713 3.19563 -284.712 8.86875 98.7096 3.19553 98.709 176.996 GPRESSURE: 2100400 45.9819 -104.503 -61.6535 -158.251 74.7914 155.507 -165.785 68.1026 173.389 PRESSAVG: 2100400 -17.3104 -6.93598 23.3181 -6.936 -11.7723 -25.3212 23.3181 -25.3211 30.6186 GPRESSAVG: 2100400 -15.5015 -8.47568 21.6509 -2.75065 -12.9405 -23.3821 24.0965 -27.1559 29.6717 TIMING: 2100400 CPU: 6713.23, 0.0032221/step Wall: 6713.23, 0.00322211/step, 2.59523 hours remaining, 233.292969 MB of memory in use. ENERGY: 2100400 4016.0955 20511.9804 14511.4337 235.5186 -203636.3050 2562.8865 0.0000 0.0000 52193.6849 -109604.7054 299.9578 -161798.3903 -109239.1036 299.2149 70.8628 98.0540 759064.2008 0.5119 0.4099 PRESSURE: 2100600 -228.748 -41.6689 -8.62883 -41.6684 -46.2151 138.215 -8.62816 138.215 108.266 GPRESSURE: 2100600 -112.902 -43.4968 -7.64928 -68.9638 -25.6928 112.867 95.4362 91.7853 42.2605 PRESSAVG: 2100600 -3.30357 20.9503 -18.1557 20.9503 -27.6282 -35.8549 -18.1557 -35.8549 -10.1164 GPRESSAVG: 2100600 -3.82421 23.319 -16.8175 17.4052 -26.4318 -36.2153 -19.4869 -35.7453 -10.5131 TIMING: 2100600 CPU: 6713.86, 0.00315098/step Wall: 6713.86, 0.00315098/step, 2.53776 hours remaining, 233.496094 MB of memory in use. ENERGY: 2100600 3977.4731 20479.8985 14478.4771 235.1904 -203238.6510 2433.5353 0.0000 0.0000 52109.2884 -109524.7881 299.4728 -161634.0765 -109166.3682 299.5016 -55.5660 -32.1116 760722.5477 -13.6828 -13.5897 PRESSURE: 2100800 -242.121 -135.352 161.004 -135.352 4.41855 -34.0509 161.004 -34.0511 -113.563 GPRESSURE: 2100800 -167.434 -101.515 265.794 -85.5438 53.5088 -79.4317 348.64 -133.543 -148.334 PRESSAVG: 2100800 35.1507 -16.2301 34.6307 -16.2301 27.5551 -24.7071 34.6308 -24.7071 -2.37037 GPRESSAVG: 2100800 35.7304 -15.8408 34.0639 -14.7882 27.0082 -25.1259 36.023 -25.4345 -2.42527 TIMING: 2100800 CPU: 6714.49, 0.00315702/step Wall: 6714.49, 0.00315702/step, 2.54245 hours remaining, 233.496094 MB of memory in use. ENERGY: 2100800 3949.2324 20538.3458 14523.3894 239.2604 -203455.9896 2434.2568 0.0000 0.0000 52129.8339 -109641.6710 299.5909 -161771.5049 -109284.1475 299.5386 -117.0886 -87.4196 761163.9191 20.1118 20.1044 PRESSURE: 2101000 80.7049 -27.0478 -65.835 -27.0484 315.7 -66.8088 -65.8354 -66.8086 14.9353 GPRESSURE: 2101000 112.523 -54.274 -104.743 -15.3799 357.274 -22.7756 -18.4282 -104.584 38.2141 PRESSAVG: 2101000 75.9264 -36.0991 -12.8944 -36.0991 -45.5533 -25.6295 -12.8944 -25.6294 -7.63147 GPRESSAVG: 2101000 75.4646 -37.8924 -12.4325 -36.0155 -46.2209 -24.6309 -13.1492 -23.6431 -6.3114 TIMING: 2101000 CPU: 6715.12, 0.0031567/step Wall: 6715.12, 0.0031567/step, 2.54202 hours remaining, 233.496094 MB of memory in use. ENERGY: 2101000 4044.7169 20549.4502 14467.2298 236.7271 -203700.3364 2605.0869 0.0000 0.0000 51827.3733 -109969.7522 297.8526 -161797.1255 -109608.3162 298.8671 137.1134 169.3370 759762.3597 7.5805 7.6441 PRESSURE: 2101200 -591.566 -401.062 -102.211 -401.06 -308.252 5.31393 -102.21 5.31406 -695.934 GPRESSURE: 2101200 -528.055 -447.207 -100.493 -389.344 -302.075 -11.9908 58.8433 -34.8257 -665.338 PRESSAVG: 2101200 14.7564 -15.1362 5.09417 -15.1362 -15.1275 6.47238 5.09424 6.47238 -2.32973 GPRESSAVG: 2101200 14.6344 -14.8866 6.36282 -17.9735 -14.5821 4.942 9.01121 6.07697 -2.45675 TIMING: 2101200 CPU: 6715.75, 0.00316997/step Wall: 6715.75, 0.00316997/step, 2.55253 hours remaining, 233.496094 MB of memory in use. ENERGY: 2101200 4048.1462 20485.4898 14462.3759 246.5424 -203328.6335 2348.1618 0.0000 0.0000 51672.3005 -110065.6169 296.9614 -161737.9175 -109706.1502 297.9480 -531.9175 -498.4893 760760.1440 -0.9003 -0.8015 PRESSURE: 2101400 -401.458 60.0677 -94.0532 60.0685 279.482 -146.609 -94.0529 -146.609 15.0663 GPRESSURE: 2101400 -306.342 68.183 -132.746 -14.976 277.631 -147.169 -53.0396 -131.415 9.1508 PRESSAVG: 2101400 56.9185 -23.1095 -5.70981 -23.1095 -11.5876 -13.6247 -5.70982 -13.6248 14.0811 GPRESSAVG: 2101400 57.7597 -21.8608 -6.65424 -21.6367 -11.4189 -12.6039 -8.4919 -12.9497 12.8821 TIMING: 2101400 CPU: 6716.39, 0.00318037/step Wall: 6716.39, 0.00318037/step, 2.56073 hours remaining, 233.496094 MB of memory in use. ENERGY: 2101400 4073.4783 20544.1919 14435.7077 243.9828 -203580.7978 2512.0876 0.0000 0.0000 51880.9259 -109890.4236 298.1604 -161771.3495 -109522.5081 298.4938 -35.6366 -6.5199 759402.7959 19.8040 19.7410 PRESSURE: 2101600 39.3067 -61.9687 52.2712 -61.9694 165.909 30.8936 52.2727 30.8937 344.914 GPRESSURE: 2101600 156.11 -147.142 45.0089 -72.2534 173.64 32.3528 4.41392 158.225 300.974 PRESSAVG: 2101600 22.536 -11.0867 42.7586 -11.0867 -7.80038 1.41391 42.7586 1.4139 2.4787 GPRESSAVG: 2101600 22.6045 -10.8972 42.4349 -11.3681 -6.98314 1.97768 42.7423 0.929407 1.51172 TIMING: 2101600 CPU: 6717.02, 0.00317472/step Wall: 6717.02, 0.00317472/step, 2.556 hours remaining, 233.496094 MB of memory in use. ENERGY: 2101600 4055.5952 20406.1455 14466.5000 227.1404 -203862.5324 2846.3146 0.0000 0.0000 51995.2439 -109865.5928 298.8174 -161860.8366 -109505.5641 298.6920 183.3767 210.2411 759544.1540 5.7381 5.7110 PRESSURE: 2101800 -183.635 72.8216 106.555 72.821 460.305 -50.8434 106.555 -50.8425 -125.699 GPRESSURE: 2101800 -179.273 33.8933 42.6411 54.9941 480.916 -84.6399 140.774 -124.939 -77.5177 PRESSAVG: 2101800 10.7245 -26.0479 -3.52999 -26.0479 -40.0153 1.8577 -3.52995 1.85774 10.8982 GPRESSAVG: 2101800 10.531 -26.7747 -3.13303 -26.9572 -39.972 -0.103602 -4.24351 1.81238 11.7108 TIMING: 2101800 CPU: 6717.66, 0.00316516/step Wall: 6717.66, 0.00316516/step, 2.54813 hours remaining, 233.496094 MB of memory in use. ENERGY: 2101800 3958.4059 20493.1916 14438.6195 238.1973 -203521.1952 2336.5430 0.0000 0.0000 52149.5703 -109906.6675 299.7043 -162056.2379 -109528.0139 298.9246 50.3236 74.7084 760903.4528 -6.1309 -5.9101 PRESSURE: 2102000 -25.8341 -145.198 56.961 -145.198 -23.5003 10.5097 56.9608 10.5101 10.6142 GPRESSURE: 2102000 -36.761 -190.205 -42.5001 21.407 -12.1357 84.2218 10.6804 115.056 103.731 PRESSAVG: 2102000 22.6696 13.6424 24.3481 13.6424 -67.8623 -5.48074 24.3481 -5.48071 1.66426 GPRESSAVG: 2102000 21.5359 14.4789 24.0029 15.024 -67.1976 -4.66382 23.7167 -5.08185 2.77268 TIMING: 2102000 CPU: 6718.29, 0.00317818/step Wall: 6718.29, 0.00317818/step, 2.55844 hours remaining, 233.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 4040.7923 20507.2939 14408.5294 267.8420 -203917.6120 2797.2966 0.0000 0.0000 52207.8621 -109687.9957 300.0393 -161895.8579 -109330.4639 298.9604 -12.9067 18.2780 760515.6261 -14.5095 -14.2963 PRESSURE: 2102200 40.3497 187.384 47.0585 187.384 253.349 66.689 47.0585 66.689 -356.516 GPRESSURE: 2102200 135.789 179.712 -20.6739 286.927 257.804 31.9745 77.6041 159.944 -379.616 PRESSAVG: 2102200 7.93432 14.9673 7.04561 14.9673 -35.4425 -11.4567 7.04552 -11.4567 -1.30021 GPRESSAVG: 2102200 8.32902 14.7053 7.19377 15.2875 -36.8603 -9.58613 5.74707 -14.5015 -0.751739 TIMING: 2102200 CPU: 6718.92, 0.00314562/step Wall: 6718.92, 0.00314562/step, 2.53205 hours remaining, 233.496094 MB of memory in use. ENERGY: 2102200 4025.2993 20717.0991 14380.2508 254.7805 -203621.1168 2403.5085 0.0000 0.0000 52014.6172 -109825.5614 298.9287 -161840.1786 -109462.5701 300.0025 -20.9394 4.6590 759834.8260 -9.6028 -9.7610 PRESSURE: 2102400 73.0068 68.688 30.7014 68.6887 -242.641 -125.642 30.7016 -125.641 525.544 GPRESSURE: 2102400 162.689 -39.6133 68.6582 10.181 -175.667 -184.83 42.9721 -39.5243 455.105 PRESSAVG: 2102400 18.6002 0.517564 34.2004 0.517518 -17.2972 -0.418914 34.2005 -0.41893 8.11206 GPRESSAVG: 2102400 18.4086 0.0614334 35.9255 0.718191 -16.3798 -3.03168 33.5768 0.375681 7.61666 TIMING: 2102400 CPU: 6719.55, 0.00315406/step Wall: 6719.55, 0.00315406/step, 2.53867 hours remaining, 233.496094 MB of memory in use. ENERGY: 2102400 3963.0092 20654.2007 14552.0610 256.0355 -203907.7388 2515.2313 0.0000 0.0000 52220.3322 -109746.8690 300.1110 -161967.2011 -109387.7237 299.8560 118.6364 147.3757 758981.5580 3.1383 3.2152 PRESSURE: 2102600 73.6874 -59.2951 124.168 -59.2952 141.787 -238.585 124.168 -238.584 458.67 GPRESSURE: 2102600 175.673 -85.2339 111.495 -80.27 109.089 -230.878 163.173 -207.021 466.05 PRESSAVG: 2102600 65.2383 -24.5934 18.4977 -24.5934 -114.617 -45.9626 18.4977 -45.9627 11.3312 GPRESSAVG: 2102600 65.2939 -25.5974 18.7549 -27.2034 -115.209 -45.0699 19.3579 -42.6088 11.2522 TIMING: 2102600 CPU: 6720.18, 0.00315016/step Wall: 6720.18, 0.00315016/step, 2.53536 hours remaining, 233.496094 MB of memory in use. ENERGY: 2102600 3936.5390 20600.7383 14469.1537 257.2000 -203955.6019 2737.2833 0.0000 0.0000 52261.5218 -109693.1660 300.3477 -161954.6877 -109329.9063 299.5664 224.7150 250.2707 759319.9971 -12.6824 -12.8877 PRESSURE: 2102800 76.6802 23.1482 -67.0977 23.1479 -127.252 -32.3451 -67.0971 -32.3445 355.823 GPRESSURE: 2102800 130.419 -4.63576 -67.4602 67.4217 -83.0933 -112.263 -94.6432 -92.6302 345.08 PRESSAVG: 2102800 -26.4972 -64.7985 28.4301 -64.7985 -6.49791 -10.3867 28.4301 -10.3867 -13.4585 GPRESSAVG: 2102800 -25.2016 -63.5404 27.5369 -62.7996 -7.49867 -9.01551 29.9646 -14.8029 -13.9579 TIMING: 2102800 CPU: 6720.81, 0.00314401/step Wall: 6720.81, 0.00314401/step, 2.53023 hours remaining, 233.496094 MB of memory in use. ENERGY: 2102800 4071.5901 20473.8091 14508.0050 255.9531 -204272.1824 3078.9474 0.0000 0.0000 51992.1651 -109891.7126 298.7997 -161883.8777 -109543.0314 298.8090 101.7507 130.8019 758498.0135 -15.4845 -15.5527 PRESSURE: 2103000 -43.5138 -158.94 101.998 -158.939 -225.068 229.378 101.998 229.379 -18.8333 GPRESSURE: 2103000 -31.5897 -164.074 227.728 -30.9211 -201.385 235.459 23.8988 146.191 7.40862 PRESSAVG: 2103000 12.3221 -90.5736 40.6116 -90.5736 38.2831 -14.1221 40.6116 -14.1222 -2.685 GPRESSAVG: 2103000 11.5929 -91.4626 39.8769 -90.7135 37.8482 -15.4706 40.4892 -11.6709 -1.55199 TIMING: 2103000 CPU: 6721.45, 0.00317743/step Wall: 6721.45, 0.00317743/step, 2.55695 hours remaining, 233.496094 MB of memory in use. ENERGY: 2103000 4042.9371 20659.1599 14517.5797 243.3349 -204049.5971 2797.0846 0.0000 0.0000 52246.0175 -109543.4834 300.2586 -161789.5009 -109177.4420 299.4373 -95.8052 -75.1885 759772.8571 15.9734 15.9630 PRESSURE: 2103200 -257.276 -189.82 290.122 -189.82 9.30333 -29.854 290.122 -29.854 -234.728 GPRESSURE: 2103200 -107.034 -235.784 320.883 -243.714 -36.4861 -13.7983 181.794 -26.135 -255.893 PRESSAVG: 2103200 5.37497 -43.5267 10.1064 -43.5267 -56.4364 -7.54106 10.1063 -7.54096 -13.4571 GPRESSAVG: 2103200 5.0404 -42.6304 10.7326 -46.2959 -55.7981 -8.71452 10.2219 -7.30714 -14.437 TIMING: 2103200 CPU: 6722.08, 0.00317016/step Wall: 6722.08, 0.00317016/step, 2.55092 hours remaining, 233.496094 MB of memory in use. ENERGY: 2103200 3960.6229 20660.1519 14517.1517 248.7573 -203460.1697 2546.2321 0.0000 0.0000 52059.9979 -109467.2559 299.1895 -161527.2538 -109098.0095 299.7666 -160.9005 -133.1379 762464.7477 -21.5062 -21.7316 PRESSURE: 2103400 -34.0874 -224.878 17.9876 -224.879 38.2272 -185.248 17.987 -185.247 -173.762 GPRESSURE: 2103400 53.2168 -160.065 8.66576 -72.4886 57.1558 -121.445 106.243 -207.581 -192.178 PRESSAVG: 2103400 1.3672 -67.7378 -6.14723 -67.7378 8.52793 -38.0607 -6.14728 -38.0607 23.0578 GPRESSAVG: 2103400 1.39216 -67.4386 -5.86737 -65.9442 8.80762 -36.5459 -7.41381 -37.8274 23.1896 TIMING: 2103400 CPU: 6722.72, 0.00319921/step Wall: 6722.72, 0.00319921/step, 2.57412 hours remaining, 233.496094 MB of memory in use. ENERGY: 2103400 4018.2695 20582.7594 14531.3917 249.8741 -203889.7913 2688.1309 0.0000 0.0000 52272.5574 -109546.8083 300.4111 -161819.3657 -109185.6410 299.7411 -56.5407 -27.2683 762190.6276 10.9843 11.1298 PRESSURE: 2103600 173.841 -195.446 -16.227 -195.446 -29.4913 61.436 -16.2264 61.435 50.0622 GPRESSURE: 2103600 116.435 -153.793 47.7454 -109.71 84.888 129.942 59.6694 159.518 92.3274 PRESSAVG: 2103600 -3.63659 -55.6813 49.1658 -55.6814 -35.0579 -31.5048 49.1659 -31.5048 -9.85348 GPRESSAVG: 2103600 -3.11189 -55.2296 50.1771 -56.3879 -35.6753 -33.7306 48.0203 -31.2372 -9.89626 TIMING: 2103600 CPU: 6723.36, 0.00317914/step Wall: 6723.36, 0.00317914/step, 2.5578 hours remaining, 233.496094 MB of memory in use. ENERGY: 2103600 4025.5071 20488.2438 14466.1790 266.6779 -203812.6044 2935.7986 0.0000 0.0000 51945.9617 -109684.2363 298.5342 -161630.1980 -109316.7314 298.7443 64.8039 97.8833 761355.2425 -16.1826 -16.2278 PRESSURE: 2103800 6.07204 -51.1783 150.824 -51.1787 463.936 -392.11 150.825 -392.11 -290.125 GPRESSURE: 2103800 11.6882 -96.3821 233.401 -91.5446 496.419 -367.252 29.5798 -388.739 -244.481 PRESSAVG: 2103800 9.01983 -22.405 33.836 -22.4049 17.7807 -68.8754 33.836 -68.8754 -18.0497 GPRESSAVG: 2103800 7.51249 -22.4915 33.2077 -22.0835 18.7791 -66.9498 34.3498 -71.342 -17.506 TIMING: 2103800 CPU: 6724, 0.00318981/step Wall: 6724, 0.00318981/step, 2.5662 hours remaining, 233.496094 MB of memory in use. ENERGY: 2103800 4048.3032 20499.4247 14495.1698 251.7871 -203958.7965 3010.0536 0.0000 0.0000 51884.3515 -109769.7067 298.1801 -161654.0582 -109413.1087 299.0125 59.9610 87.8753 762235.4231 2.9169 2.9285 PRESSURE: 2104000 26.5948 18.5753 -83.9379 18.5754 -53.6879 63.8758 -83.938 63.8763 -153.062 GPRESSURE: 2104000 -1.167 92.2739 -77.783 -2.9271 65.9974 84.2692 -62.4405 73.8284 -143.716 PRESSAVG: 2104000 41.9134 -46.855 15.0512 -46.855 -10.5464 -56.9006 15.0511 -56.9006 8.44254 GPRESSAVG: 2104000 42.7767 -49.7745 14.1147 -46.3749 -10.1068 -57.6763 16.2349 -55.3741 7.56812 TIMING: 2104000 CPU: 6724.63, 0.00315727/step Wall: 6724.63, 0.00315727/step, 2.53985 hours remaining, 233.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 4014.7546 20629.9174 14509.1931 243.8046 -203956.1339 2914.2766 0.0000 0.0000 52051.1126 -109593.0751 299.1385 -161644.1877 -109241.0972 299.3445 -60.0517 -26.2951 762139.6309 13.2699 13.4127 PRESSURE: 2104200 -235.317 -224.882 -25.1689 -224.882 -410.384 -202.809 -25.168 -202.809 -248.209 GPRESSURE: 2104200 -198.986 -207.913 -25.1061 -146.583 -405.741 -89.6976 32.1121 -257.301 -209.677 PRESSAVG: 2104200 1.99274 -7.21213 -5.11038 -7.21206 -0.278312 -36.0508 -5.11044 -36.0508 -11.9726 GPRESSAVG: 2104200 1.03366 -3.78807 -4.75211 -8.5293 -0.142753 -34.2045 -5.35662 -35.892 -11.7777 TIMING: 2104200 CPU: 6725.26, 0.0031546/step Wall: 6725.26, 0.0031546/step, 2.53753 hours remaining, 233.496094 MB of memory in use. ENERGY: 2104200 4001.1116 20632.3057 14478.0921 241.6989 -203863.8555 2533.6490 0.0000 0.0000 52072.7334 -109904.2649 299.2627 -161976.9983 -109547.3187 299.3187 -297.9702 -271.4677 760899.8494 -3.4194 -3.6289 LDB: ============= START OF LOAD BALANCING ============== 6737.68 LDB: ============== END OF LOAD BALANCING =============== 6737.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6737.68 LDB: ============= START OF LOAD BALANCING ============== 6738 LDB: Largest compute 7033 load 0.038480 is 19.7% of average load 0.195403 LDB: Average compute 0.004436 is 2.3% of average load 0.195403 LDB: TIME 6738.01 LOAD: AVG 0.195403 MAX 0.215263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.324 MB LDB: TIME 6738.01 LOAD: AVG 0.195403 MAX 0.215263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 6738.01 LOAD: AVG 0.195403 MAX 0.215263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 6738.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6738.01 PRESSURE: 2104400 -208.385 -45.0168 108.456 -45.0166 -176.108 293.086 108.456 293.085 -139.947 GPRESSURE: 2104400 -224.024 -73.7896 111.887 -1.35141 -83.7965 330.844 234.83 238.963 -130.993 PRESSAVG: 2104400 -41.2011 -54.2688 45.8225 -54.2687 60.231 -0.820112 45.8226 -0.820153 5.41029 GPRESSAVG: 2104400 -40.333 -55.7639 46.0391 -52.6143 59.0254 -2.27819 45.7999 -1.63125 6.75663 TIMING: 2104400 CPU: 6725.91, 0.00325183/step Wall: 6725.91, 0.00325183/step, 2.61556 hours remaining, 234.390625 MB of memory in use. ENERGY: 2104400 4044.7289 20508.0892 14520.7834 247.0534 -204112.1295 3007.8196 0.0000 0.0000 51720.5136 -110063.1414 297.2385 -161783.6550 -109702.3429 298.5933 -174.8130 -146.2711 761388.3501 8.1467 8.4830 PRESSURE: 2104600 -9.71827 108.826 105.838 108.826 -172.378 -252.171 105.839 -252.171 27.4878 GPRESSURE: 2104600 -35.576 124.813 93.7783 7.02866 -114.43 -152.5 -4.27635 -147.142 85.3735 PRESSAVG: 2104600 -1.40701 -60.2615 -19.9683 -60.2615 8.03632 -38.4487 -19.9684 -38.4487 16.4775 GPRESSAVG: 2104600 -2.62445 -58.9674 -20.0223 -62.4304 8.93139 -37.7478 -18.528 -37.7093 17.1745 TIMING: 2104600 CPU: 6726.55, 0.00319181/step Wall: 6726.55, 0.00319181/step, 2.5671 hours remaining, 234.593750 MB of memory in use. ENERGY: 2104600 3950.7848 20499.5349 14481.8833 240.6240 -203267.2039 2318.7064 0.0000 0.0000 51747.9733 -110027.6972 297.3963 -161775.6705 -109657.9906 298.0501 -51.5361 -21.5442 760262.3545 7.7023 7.8271 PRESSURE: 2104800 -356.761 141.093 -249.871 141.094 -255.266 -305.772 -249.871 -305.771 387.958 GPRESSURE: 2104800 -259.209 102.516 -300.937 61.5808 -245.296 -304.18 -114.159 -402.5 366.516 PRESSAVG: 2104800 32.2219 -32.5502 -4.6604 -32.5502 13.9267 -22.0901 -4.66044 -22.0902 -9.06559 GPRESSAVG: 2104800 33.2646 -33.1893 -4.87201 -31.9661 14.1573 -22.4157 -2.71966 -23.6785 -10.6591 TIMING: 2104800 CPU: 6727.18, 0.00319007/step Wall: 6727.18, 0.00319007/step, 2.56552 hours remaining, 234.593750 MB of memory in use. ENERGY: 2104800 4011.4756 20629.2118 14422.0292 238.0346 -204005.9342 2658.4363 0.0000 0.0000 51997.3317 -110049.4149 298.8294 -162046.7466 -109684.1045 298.6662 -74.6896 -45.9964 758885.1359 12.3610 12.2542 PRESSURE: 2105000 -264.506 -203.58 47.1252 -203.581 -384.178 71.3605 47.1249 71.3616 -71.6163 GPRESSURE: 2105000 -135.932 -252.806 27.5035 -100.888 -432.104 -9.14266 9.39868 16.4081 -58.5236 PRESSAVG: 2105000 64.1593 -14.5561 39.8929 -14.5561 -57.0009 -25.0077 39.8929 -25.0076 -44.4171 GPRESSAVG: 2105000 65.5495 -13.7324 39.2991 -14.1256 -57.1376 -25.0421 38.6161 -23.8771 -45.0096 TIMING: 2105000 CPU: 6727.82, 0.00319723/step Wall: 6727.82, 0.00319723/step, 2.5711 hours remaining, 234.593750 MB of memory in use. ENERGY: 2105000 3880.4298 20639.7422 14451.4105 228.3473 -203502.2536 2252.3438 0.0000 0.0000 51884.9358 -110165.0442 298.1834 -162049.9800 -109797.6134 298.9066 -240.1002 -208.8531 760992.9469 -12.4196 -12.1992 PRESSURE: 2105200 -38.0806 36.8084 -129.411 36.8082 -401.44 -125.609 -129.412 -125.611 -58.4793 GPRESSURE: 2105200 -52.7805 17.8996 -113.557 130.413 -263.165 -132.946 -83.3275 -127.679 -95.479 PRESSAVG: 2105200 42.2217 -35.7804 60.7516 -35.7805 -54.5288 -55.4491 60.7516 -55.4492 15.6444 GPRESSAVG: 2105200 40.7143 -37.4412 61.7986 -35.4734 -53.4584 -56.3645 58.6243 -54.8819 15.9899 TIMING: 2105200 CPU: 6728.46, 0.00317117/step Wall: 6728.46, 0.00317117/step, 2.54997 hours remaining, 234.593750 MB of memory in use. ENERGY: 2105200 4056.2378 20397.6282 14412.7656 238.3942 -203563.0014 2459.4668 0.0000 0.0000 52084.3716 -109914.1371 299.3296 -161998.5087 -109548.4177 298.4507 -165.9999 -137.1414 761775.5878 1.1125 1.0819 PRESSURE: 2105400 -108.98 -122.843 -33.9093 -122.844 -5.26268 -99.6442 -33.9094 -99.6427 -109.117 GPRESSURE: 2105400 -68.0246 -123.183 40.6664 -157.667 92.2548 -108.507 46.7151 -126.309 -159.737 PRESSAVG: 2105400 -2.19739 -61.6431 9.02912 -61.6432 8.87611 -81.5041 9.02906 -81.5041 -3.16775 GPRESSAVG: 2105400 -2.46874 -59.3088 9.37338 -61.2579 9.49329 -80.6511 7.59711 -82.8318 -3.71719 TIMING: 2105400 CPU: 6729.09, 0.00318483/step Wall: 6729.09, 0.00318483/step, 2.56078 hours remaining, 234.593750 MB of memory in use. ENERGY: 2105400 4015.5620 20715.7530 14428.5240 252.6138 -202921.3699 2072.7309 0.0000 0.0000 51788.2661 -109647.9203 297.6279 -161436.1864 -109290.5936 298.5800 -74.4532 -45.1691 759208.8458 1.1703 1.1025 PRESSURE: 2105600 87.004 -123.299 -166.594 -123.299 -162.785 49.0062 -166.595 49.0064 -37.1046 GPRESSURE: 2105600 83.4776 -98.2298 -149.573 -3.46407 -115.948 79.5676 -190.031 68.6163 -10.1016 PRESSAVG: 2105600 84.1203 -65.9027 15.6109 -65.9027 -47.6489 -15.5122 15.6109 -15.5121 0.439298 GPRESSAVG: 2105600 84.0432 -67.179 16.9507 -66.2391 -48.3596 -18.2161 16.9228 -11.9623 0.964639 TIMING: 2105600 CPU: 6729.73, 0.00319142/step Wall: 6729.73, 0.00319142/step, 2.5659 hours remaining, 234.593750 MB of memory in use. ENERGY: 2105600 3940.6818 20625.5045 14494.5051 241.1160 -203716.6004 2751.2131 0.0000 0.0000 52116.9418 -109546.6381 299.5168 -161663.5798 -109168.5035 299.4902 -37.6285 -14.1907 758821.9343 12.3035 12.2161 PRESSURE: 2105800 -118.196 -254.952 -1.67156 -254.952 -205.481 54.6495 -1.67115 54.6503 -28.1519 GPRESSURE: 2105800 -125.844 -254.594 -35.8277 -179.717 -174.612 112.629 -22.8282 77.4982 34.3781 PRESSAVG: 2105800 70.032 -101.623 -25.9491 -101.623 -69.5262 -2.23008 -25.9491 -2.23007 25.0019 GPRESSAVG: 2105800 70.7708 -102.562 -27.3949 -99.9556 -70.2794 -0.397413 -25.8591 -4.73229 24.9372 TIMING: 2105800 CPU: 6730.37, 0.00316365/step Wall: 6730.37, 0.00316365/step, 2.5434 hours remaining, 234.593750 MB of memory in use. ENERGY: 2105800 3925.5887 20560.9738 14482.8094 243.7361 -203459.9693 2582.4659 0.0000 0.0000 52093.0678 -109571.3275 299.3796 -161664.3954 -109207.1628 299.0716 -117.2763 -88.6928 759483.5422 8.5026 8.4762 PRESSURE: 2106000 -191.002 -85.1998 154.282 -85.1998 60.2342 -24.5511 154.282 -24.5517 -266.635 GPRESSURE: 2106000 -285.714 89.0399 142.714 -130.084 113.797 31.2705 198.825 119.594 -131.789 PRESSAVG: 2106000 8.81596 -6.00712 -18.1189 -6.00706 -22.003 21.9032 -18.1189 21.9032 -2.76701 GPRESSAVG: 2106000 8.24861 -4.4934 -18.4963 -7.17164 -21.5811 22.5542 -16.0647 21.4505 -2.71297 TIMING: 2106000 CPU: 6731, 0.00314984/step Wall: 6731, 0.00314984/step, 2.53212 hours remaining, 234.593750 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: 2106000 3907.3129 20633.5758 14556.5200 270.5670 -203332.7329 2313.4429 0.0000 0.0000 52094.1329 -109557.1814 299.3857 -161651.3143 -109208.8249 299.1344 -132.4674 -101.2356 759541.1812 -5.3180 -5.3485 PRESSURE: 2106200 -46.8211 -200.718 -52.0239 -200.718 -331.53 -2.7789 -52.0233 -2.77876 -170.108 GPRESSURE: 2106200 -51.5694 -249.895 -33.9711 -226.079 -252.338 18.1379 -5.55405 -98.8288 -148.782 PRESSAVG: 2106200 -1.95685 -7.00745 -26.9669 -7.00752 -14.7605 -22.0177 -26.9669 -22.0177 -2.59047 GPRESSAVG: 2106200 -3.60736 -9.26186 -24.3257 -5.93827 -13.8916 -21.8348 -30.4606 -20.9309 -2.67711 TIMING: 2106200 CPU: 6731.62, 0.00313423/step Wall: 6731.62, 0.00313423/step, 2.5194 hours remaining, 234.593750 MB of memory in use. ENERGY: 2106200 3965.7469 20624.6643 14572.4327 238.1413 -203369.5465 2482.8652 0.0000 0.0000 52085.9617 -109399.7343 299.3387 -161485.6961 -109034.1615 299.4863 -182.8197 -150.8964 762377.2938 -6.4359 -6.7254 PRESSURE: 2106400 -367.252 -292.344 55.9359 -292.345 -244.064 20.4279 55.9358 20.4285 -102.931 GPRESSURE: 2106400 -255.244 -171.699 31.6593 -96.3741 -244.62 -65.3271 45.2259 141.917 -126.424 PRESSAVG: 2106400 -39.6688 12.2187 9.96938 12.2187 -21.9319 31.3298 9.9694 31.3298 -22.6827 GPRESSAVG: 2106400 -39.0073 13.5499 8.74111 12.0087 -23.1718 30.6643 11.3172 31.9828 -22.7252 TIMING: 2106400 CPU: 6732.25, 0.00314416/step Wall: 6732.25, 0.00314416/step, 2.52721 hours remaining, 234.593750 MB of memory in use. ENERGY: 2106400 4059.5297 20318.5855 14471.7249 240.4778 -203557.4444 2604.5502 0.0000 0.0000 52131.4057 -109731.1706 299.5999 -161862.5763 -109360.0604 298.8556 -238.0824 -208.7627 760859.8325 -28.0945 -28.3014 PRESSURE: 2106600 -109.305 70.7098 -54.4098 70.7101 76.5106 33.4528 -54.4091 33.4528 139.366 GPRESSURE: 2106600 -135.753 134.633 -18.0351 2.73707 72.1907 -65.0643 -12.8595 9.53023 233.94 PRESSAVG: 2106600 -5.94007 1.31549 -10.6488 1.31549 43.8422 -13.4866 -10.6488 -13.4866 -2.46162 GPRESSAVG: 2106600 -5.49719 1.10814 -11.6635 1.74466 44.206 -12.5486 -8.98096 -12.9559 -2.90857 TIMING: 2106600 CPU: 6732.88, 0.00314437/step Wall: 6732.88, 0.00314437/step, 2.5272 hours remaining, 234.593750 MB of memory in use. ENERGY: 2106600 3973.3806 20535.4920 14464.5566 249.0741 -203675.1425 2623.1198 0.0000 0.0000 52266.6702 -109562.8492 300.3773 -161829.5194 -109194.8860 299.4663 35.5239 56.7923 761056.0754 11.8135 11.9334 PRESSURE: 2106800 94.9583 13.9132 -128.504 13.9125 97.7302 -240.699 -128.503 -240.697 -86.891 GPRESSURE: 2106800 186.311 -25.6561 -134.474 -11.9374 103.104 -220.222 -201.555 -242.06 -93.6246 PRESSAVG: 2106800 38.4851 -19.0705 -35.3968 -19.0705 7.38737 13.9452 -35.3968 13.9452 -4.55157 GPRESSAVG: 2106800 38.6139 -19.8641 -35.2557 -21.1698 6.36352 13.5099 -37.4091 13.2246 -3.77002 TIMING: 2106800 CPU: 6733.51, 0.00316772/step Wall: 6733.51, 0.00316772/step, 2.54579 hours remaining, 234.593750 MB of memory in use. ENERGY: 2106800 4010.9328 20746.5732 14463.4954 235.4855 -203764.8883 2787.9924 0.0000 0.0000 51860.0384 -109660.3706 298.0404 -161520.4090 -109307.0095 299.2976 35.2658 65.2636 760464.3610 13.7736 13.7358 PRESSURE: 2107000 -88.277 -198.223 -160.566 -198.223 -157.882 -237.414 -160.565 -237.414 -219.149 GPRESSURE: 2107000 -20.5613 -80.4934 -185.262 -191.826 -138.409 -274.623 -63.8598 -260.871 -214.017 PRESSAVG: 2107000 2.88096 -24.3224 -7.65002 -24.3224 -27.168 45.7257 -7.65001 45.7258 1.2207 GPRESSAVG: 2107000 2.70286 -22.0108 -7.58129 -25.2001 -27.1996 47.0946 -7.2457 43.7826 1.75134 TIMING: 2107000 CPU: 6734.14, 0.00314882/step Wall: 6734.14, 0.00314882/step, 2.53043 hours remaining, 234.593750 MB of memory in use. ENERGY: 2107000 4020.9696 20611.2132 14525.2919 247.4309 -203560.5810 2448.7635 0.0000 0.0000 52115.8126 -109591.0993 299.5103 -161706.9119 -109213.2953 299.2855 -155.1024 -124.3292 760440.7832 -7.6888 -7.5818 PRESSURE: 2107200 31.5797 59.4139 8.21522 59.4134 -281.582 -138.652 8.21512 -138.652 -482.921 GPRESSURE: 2107200 15.9128 9.69118 -22.1282 29.6879 -259.852 -77.4868 -56.6006 -55.4004 -404.76 PRESSAVG: 2107200 16.2254 -22.6963 8.47787 -22.6963 46.82 19.2116 8.47793 19.2115 -6.56018 GPRESSAVG: 2107200 14.6167 -22.6855 7.50507 -23.2732 47.7182 18.9445 10.6336 20.4639 -6.42069 TIMING: 2107200 CPU: 6734.77, 0.00314341/step Wall: 6734.77, 0.00314341/step, 2.52591 hours remaining, 234.593750 MB of memory in use. ENERGY: 2107200 4080.3102 20491.9564 14446.7776 253.7323 -203905.9605 2626.4669 0.0000 0.0000 52324.4372 -109682.2799 300.7093 -162006.7172 -109311.1612 299.7806 -244.3078 -216.2330 760468.1984 18.8284 18.6381 PRESSURE: 2107400 98.6238 -79.2198 -175.91 -79.219 412.22 -15.4 -175.91 -15.3994 -477.636 GPRESSURE: 2107400 159.304 -47.7839 -156.615 -46.1018 376.545 -45.3041 -151.169 -23.6839 -407.104 PRESSAVG: 2107400 -25.3739 4.22446 53.5836 4.22445 37.7686 -5.71484 53.5835 -5.71486 -7.47106 GPRESSAVG: 2107400 -24.2671 5.8791 53.4637 6.15807 37.25 -5.52866 51.887 -6.44889 -8.25825 TIMING: 2107400 CPU: 6735.4, 0.00314498/step Wall: 6735.4, 0.00314498/step, 2.52699 hours remaining, 234.593750 MB of memory in use. ENERGY: 2107400 3996.6723 20694.4207 14448.6633 243.2633 -204000.4570 2817.7730 0.0000 0.0000 52130.8919 -109668.7723 299.5970 -161799.6643 -109307.0904 299.3444 11.0692 42.9150 759528.9977 1.6412 1.5749 PRESSURE: 2107600 -183.68 80.609 -51.6954 80.61 -86.4823 76.9306 -51.6955 76.9294 -39.709 GPRESSURE: 2107600 -86.3166 88.4779 -138.142 -2.03834 -77.9206 38.9845 150.695 88.7163 -35.3596 PRESSAVG: 2107600 17.306 1.62126 11.4249 1.62132 -20.9152 22.3239 11.4248 22.324 45.8504 GPRESSAVG: 2107600 15.9332 -1.0142 12.075 1.90261 -19.9165 20.6541 11.313 22.9246 46.5738 TIMING: 2107600 CPU: 6736.03, 0.00315256/step Wall: 6736.03, 0.00315256/step, 2.53291 hours remaining, 234.593750 MB of memory in use. ENERGY: 2107600 4033.9024 20622.6993 14483.6905 251.1960 -204021.0683 2662.5528 0.0000 0.0000 52235.0477 -109731.9796 300.1955 -161967.0274 -109363.2981 299.2242 -103.2906 -66.5323 759020.3266 14.0804 14.1969 PRESSURE: 2107800 225.829 24.3974 277.824 24.3979 -165.672 17.0727 277.824 17.0722 291.164 GPRESSURE: 2107800 210.774 20.2189 151.723 -26.9903 -53.5793 35.2916 209.045 65.6579 293.157 PRESSAVG: 2107800 5.82619 -4.00821 36.4885 -4.00823 -50.6035 4.60014 36.4885 4.60018 1.83796 GPRESSAVG: 2107800 6.53393 -4.8209 35.5099 -4.59242 -51.4154 4.78198 37.0812 5.6787 1.53195 TIMING: 2107800 CPU: 6736.66, 0.00315424/step Wall: 6736.66, 0.00315424/step, 2.53408 hours remaining, 234.593750 MB of memory in use. ENERGY: 2107800 4050.1212 20411.6300 14517.3574 258.0225 -204180.6488 2899.8303 0.0000 0.0000 52229.7060 -109813.9814 300.1648 -162043.6874 -109458.9622 298.8098 117.1069 150.1174 758606.8112 -14.3131 -14.4498 PRESSURE: 2108000 -344.739 316.867 -263.032 316.867 -77.7769 198.842 -263.032 198.842 -195.305 GPRESSURE: 2108000 -315.052 170.247 -237.153 256.793 -148.156 178.586 -114.46 108.408 -81.2494 PRESSAVG: 2108000 4.89681 3.40743 -11.5792 3.40751 23.6545 4.78662 -11.5792 4.78667 -13.697 GPRESSAVG: 2108000 5.27845 2.91499 -9.25645 4.64902 24.1784 5.16808 -13.0707 4.03937 -14.7025 TIMING: 2108000 CPU: 6737.29, 0.00314335/step Wall: 6737.29, 0.00314335/step, 2.52516 hours remaining, 234.593750 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: 2108000 3985.0562 20412.6946 14469.7237 239.9498 -204124.4704 2911.2430 0.0000 0.0000 51986.4375 -110119.3658 298.7668 -162105.8032 -109759.6254 298.5199 -205.9404 -181.4860 760553.8626 4.9514 4.9181 PRESSURE: 2108200 -170.849 -47.803 71.0232 -47.8023 -286.735 48.1677 71.0239 48.1689 310.325 GPRESSURE: 2108200 -141.249 89.0361 109.256 15.4958 -129.706 76.7612 -59.1556 104.633 207.821 PRESSAVG: 2108200 -3.4392 -43.2765 -7.5705 -43.2765 -10.9584 23.1558 -7.57052 23.1559 3.84198 GPRESSAVG: 2108200 -4.22647 -41.8784 -8.51657 -45.5568 -11.125 22.3821 -7.94926 22.6353 5.23744 TIMING: 2108200 CPU: 6737.92, 0.0031432/step Wall: 6737.92, 0.0031432/step, 2.52486 hours remaining, 234.593750 MB of memory in use. ENERGY: 2108200 3941.6475 20579.2285 14441.2304 233.4633 -203829.0165 2588.0711 0.0000 0.0000 51780.2135 -110265.1622 297.5816 -162045.3757 -109913.4463 298.1351 -49.0862 -21.0449 760347.2699 -3.5185 -3.3713 LDB: ============= START OF LOAD BALANCING ============== 6750.34 LDB: ============== END OF LOAD BALANCING =============== 6750.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6750.34 LDB: ============= START OF LOAD BALANCING ============== 6750.66 LDB: Largest compute 7033 load 0.036945 is 18.9% of average load 0.195428 LDB: Average compute 0.004391 is 2.2% of average load 0.195428 LDB: TIME 6750.67 LOAD: AVG 0.195428 MAX 0.214449 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.617 MB LDB: TIME 6750.67 LOAD: AVG 0.195428 MAX 0.214449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.82 MB LDB: TIME 6750.67 LOAD: AVG 0.195428 MAX 0.214449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.82 MB LDB: ============== END OF LOAD BALANCING =============== 6750.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6750.67 PRESSURE: 2108400 1.17255 -131.964 93.0963 -131.963 -196.96 -53.5364 93.097 -53.5366 -61.8533 GPRESSURE: 2108400 6.38825 -130.916 42.5686 -174.654 -34.3135 -96.8195 93.0011 62.4524 -130.038 PRESSAVG: 2108400 7.14621 -24.659 40.6285 -24.6589 33.0281 -2.85543 40.6285 -2.85543 23.532 GPRESSAVG: 2108400 6.8454 -23.7955 42.467 -23.1326 33.9578 -2.03596 39.6101 -1.35497 23.0679 TIMING: 2108400 CPU: 6738.57, 0.00323303/step Wall: 6738.57, 0.00323303/step, 2.59684 hours remaining, 234.843750 MB of memory in use. ENERGY: 2108400 4120.3619 20469.4816 14440.3092 255.5622 -204071.1472 2667.7222 0.0000 0.0000 51969.5974 -110148.1126 298.6700 -162117.7100 -109793.4101 298.3200 -85.8803 -52.6546 758953.3548 21.2354 21.2904 PRESSURE: 2108600 158.203 -126.293 -111.907 -126.293 239.396 -338.177 -111.907 -338.178 115.026 GPRESSURE: 2108600 94.2997 -200.51 -85.7082 -99.2109 305.941 -292.31 -24.3116 -278.844 199.253 PRESSAVG: 2108600 -13.7433 10.2637 -8.1792 10.2638 31.3843 47.1986 -8.17925 47.1985 8.20298 GPRESSAVG: 2108600 -13.066 9.95538 -10.7791 10.9893 30.8035 47.3329 -2.6038 48.24 7.73104 TIMING: 2108600 CPU: 6739.21, 0.00319265/step Wall: 6739.21, 0.00319265/step, 2.56423 hours remaining, 234.843750 MB of memory in use. ENERGY: 2108600 3983.8562 20442.3608 14477.4274 248.4118 -204030.8569 2871.3837 0.0000 0.0000 51935.9164 -110071.5006 298.4764 -162007.4171 -109719.1976 298.5572 170.8749 199.8313 760810.3758 8.6147 8.4895 PRESSURE: 2108800 432.975 58.1394 -41.2905 58.1395 383.248 87.3292 -41.2909 87.3294 260.135 GPRESSURE: 2108800 460.427 -16.253 -75.5732 47.693 421.559 99.194 -3.79189 86.3539 285.324 PRESSAVG: 2108800 10.2638 -3.71261 -3.58333 -3.71264 22.0662 32.7792 -3.58335 32.7792 11.6784 GPRESSAVG: 2108800 9.74501 -4.21389 -2.9578 -5.22935 21.6325 33.6616 -6.84904 31.2654 12.5262 TIMING: 2108800 CPU: 6739.85, 0.00321413/step Wall: 6739.85, 0.00321413/step, 2.5813 hours remaining, 234.843750 MB of memory in use. ENERGY: 2108800 3970.5578 20633.6329 14499.4382 243.3121 -203890.5308 2817.9985 0.0000 0.0000 51737.4037 -109988.1877 297.3356 -161725.5914 -109632.5617 298.7233 358.7859 389.1032 759713.0304 14.6695 14.6346 PRESSURE: 2109000 200.712 46.3268 -118.25 46.3267 92.3139 -111.917 -118.249 -111.917 172.61 GPRESSURE: 2109000 257.848 45.5236 -95.3498 -152.481 147.922 -85.4879 -60.4688 -20.9474 144.128 PRESSAVG: 2109000 39.4606 -84.5512 0.614541 -84.5512 -61.9789 44.3261 0.61459 44.3261 -7.19947 GPRESSAVG: 2109000 40.6791 -84.3148 -0.045815 -84.5015 -61.8923 44.3826 1.55396 42.3565 -7.89013 TIMING: 2109000 CPU: 6740.48, 0.00315621/step Wall: 6740.48, 0.00315621/step, 2.53461 hours remaining, 234.843750 MB of memory in use. ENERGY: 2109000 4048.5272 20652.1137 14384.6723 255.4979 -204346.5289 2937.9333 0.0000 0.0000 52092.6895 -109975.0949 299.3774 -162067.7845 -109614.3942 298.7223 155.2120 183.2992 759008.7513 -9.9059 -9.7011 PRESSURE: 2109200 -124.651 97.4784 82.4467 97.4783 12.7245 -79.7551 82.4463 -79.7543 23.0801 GPRESSURE: 2109200 -61.6588 77.6373 9.884 96.6685 94.1308 -32.3081 24.1449 -65.2568 -30.7125 PRESSAVG: 2109200 -13.7071 6.63871 34.2202 6.63869 32.6479 27.7853 34.2202 27.7853 2.9412 GPRESSAVG: 2109200 -13.9445 5.78032 35.2881 7.02553 32.231 25.7022 33.4442 31.3223 3.3987 TIMING: 2109200 CPU: 6741.12, 0.00318202/step Wall: 6741.12, 0.00318202/step, 2.55517 hours remaining, 234.843750 MB of memory in use. ENERGY: 2109200 3955.3832 20537.2617 14512.5426 274.4379 -203619.4865 2490.4572 0.0000 0.0000 51927.7415 -109921.6624 298.4294 -161849.4039 -109557.3545 298.5238 -29.6156 0.5865 759948.3679 7.2940 7.2284 PRESSURE: 2109400 47.8797 -72.2217 -110.277 -72.2217 -270.784 67.3744 -110.277 67.3745 -334.528 GPRESSURE: 2109400 70.6102 -98.4411 -64.6731 -56.2044 -222.581 61.6478 18.2715 -61.2193 -339.22 PRESSAVG: 2109400 -39.2848 -67.7869 10.1976 -67.787 15.6916 -17.3997 10.1976 -17.3997 5.82365 GPRESSAVG: 2109400 -40.8839 -66.9363 10.3802 -69.2621 17.5707 -15.7165 11.7271 -21.2291 5.52046 TIMING: 2109400 CPU: 6741.75, 0.00317487/step Wall: 6741.75, 0.00317487/step, 2.54925 hours remaining, 234.843750 MB of memory in use. ENERGY: 2109400 4012.1366 20549.1989 14489.6510 240.9995 -203863.8678 2702.1819 0.0000 0.0000 52251.2235 -109618.4766 300.2885 -161869.7001 -109259.5114 298.7329 -185.8109 -163.7302 760373.7969 -5.9232 -5.9309 PRESSURE: 2109600 104.011 -106.506 -32.6552 -106.505 -226.306 -5.08616 -32.656 -5.08583 -144.931 GPRESSURE: 2109600 140.087 -35.8538 -47.6923 -48.8272 -171.097 -87.9757 31.9934 -77.3692 -146.299 PRESSAVG: 2109600 31.2585 -41.0075 -5.67151 -41.0075 -55.8685 11.9246 -5.67158 11.9245 4.6524 GPRESSAVG: 2109600 33.0331 -42.0301 -5.24622 -37.3698 -58.0297 10.7951 -6.56509 12.1724 5.39374 TIMING: 2109600 CPU: 6742.38, 0.00315434/step Wall: 6742.38, 0.00315434/step, 2.53259 hours remaining, 234.843750 MB of memory in use. ENERGY: 2109600 4063.1005 20558.5176 14465.3586 266.8625 -203503.1572 2536.1906 0.0000 0.0000 52066.0900 -109547.0373 299.2245 -161613.1274 -109185.0605 299.1297 -89.0753 -59.1031 760457.5182 -6.6525 -6.5343 PRESSURE: 2109800 -3.90092 114.429 39.7439 114.43 -245.251 212.39 39.7447 212.39 -59.5915 GPRESSURE: 2109800 1.5848 127.297 -27.2241 -0.674751 -172.64 250.681 -1.70277 273.36 -44.7431 PRESSAVG: 2109800 16.6323 -12.3863 1.23218 -12.3863 23.18 8.61296 1.23216 8.61295 -6.15842 GPRESSAVG: 2109800 15.3284 -9.61748 1.19549 -13.6932 24.2732 7.83927 1.31041 10.3212 -6.30951 TIMING: 2109800 CPU: 6743.01, 0.00314102/step Wall: 6743.01, 0.00314102/step, 2.52172 hours remaining, 234.843750 MB of memory in use. ENERGY: 2109800 4027.0020 20433.4234 14463.6788 245.8326 -203281.3616 2411.3197 0.0000 0.0000 52077.6295 -109622.4757 299.2909 -161700.1052 -109264.4505 298.9576 -102.9145 -71.9328 759844.5118 11.2180 11.0974 PRESSURE: 2110000 68.019 84.8439 95.4955 84.844 -10.646 39.7713 95.4958 39.7707 -1.12931 GPRESSURE: 2110000 63.3225 -29.8834 134.358 95.7087 45.6743 11.8796 159.668 30.8637 41.1441 PRESSAVG: 2110000 55.6584 -31.9388 -79.0241 -31.9388 -41.9147 -9.19768 -79.0242 -9.19754 8.25566 GPRESSAVG: 2110000 55.5923 -32.6983 -78.3462 -31.7769 -41.8978 -8.95576 -80.3014 -8.35336 8.32935 TIMING: 2110000 CPU: 6743.64, 0.00314988/step Wall: 6743.64, 0.00314988/step, 2.52866 hours remaining, 234.843750 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: 2110000 4025.4230 20452.7779 14524.7197 249.3325 -203143.3215 2454.1465 0.0000 0.0000 51988.7045 -109448.2174 298.7798 -161436.9219 -109087.5106 299.1023 18.7479 50.0470 759464.5357 7.3331 7.3413 PRESSURE: 2110200 -203.036 -207.063 184.105 -207.063 -92.5385 -135.385 184.106 -135.384 295.861 GPRESSURE: 2110200 -105.01 -164.346 132.208 -204.166 -35.5322 -126.62 168.777 -99.8916 245.976 PRESSAVG: 2110200 12.0144 -42.7526 -12.8015 -42.7526 -12.4299 4.22863 -12.8015 4.22859 0.447792 GPRESSAVG: 2110200 12.8773 -43.9425 -15.7525 -44.9306 -12.4083 4.80281 -11.3324 4.22432 -0.804777 TIMING: 2110200 CPU: 6744.28, 0.00318157/step Wall: 6744.28, 0.00318157/step, 2.55391 hours remaining, 234.843750 MB of memory in use. ENERGY: 2110200 3893.5596 20486.8690 14446.5379 229.9933 -203310.3978 2432.5246 0.0000 0.0000 52085.3057 -109735.6077 299.3350 -161820.9134 -109366.5422 299.2381 0.0956 35.1443 759068.9453 0.0108 -0.1119 PRESSURE: 2110400 -197.314 208.843 60.6086 208.842 55.0424 111.701 60.6094 111.701 58.3062 GPRESSURE: 2110400 -156.172 291.134 52.5176 89.2224 146.027 129.636 0.0705294 63.7225 -4.22179 PRESSAVG: 2110400 26.9579 -16.231 48.2972 -16.231 -12.8618 15.9287 48.2973 15.9288 21.1081 GPRESSAVG: 2110400 27.9528 -15.3435 50.7577 -14.6187 -14.6241 16.935 45.7123 14.6978 20.9053 TIMING: 2110400 CPU: 6744.91, 0.00316953/step Wall: 6744.91, 0.00316953/step, 2.54408 hours remaining, 234.843750 MB of memory in use. ENERGY: 2110400 3989.3726 20450.1066 14427.0992 239.4537 -203083.4299 2241.5741 0.0000 0.0000 52024.5202 -109711.3035 298.9856 -161735.8237 -109339.4576 298.8061 -27.9886 -4.7887 759680.6923 11.7348 11.4113 PRESSURE: 2110600 -226.905 -71.2962 -84.6942 -71.2968 -376.859 -102.621 -84.6937 -102.623 -359.212 GPRESSURE: 2110600 -210.677 -145.912 -120.19 30.5234 -387.89 -100.394 33.3276 -15.2872 -283.299 PRESSAVG: 2110600 12.8361 -31.9661 16.8113 -31.9661 -28.863 20.55 16.8113 20.55 -2.77982 GPRESSAVG: 2110600 11.0416 -34.2516 17.3664 -32.5365 -27.443 20.5737 18.7693 20.8205 -2.43198 TIMING: 2110600 CPU: 6745.54, 0.00314805/step Wall: 6745.54, 0.00314805/step, 2.52666 hours remaining, 234.843750 MB of memory in use. ENERGY: 2110600 3997.5663 20554.4175 14420.6256 250.4928 -203329.2340 2340.3253 0.0000 0.0000 52045.1257 -109720.6807 299.1041 -161765.8065 -109363.4579 298.3979 -320.9920 -293.9552 760930.9143 -6.2689 -6.2778 PRESSURE: 2110800 -104.097 -54.1711 -85.943 -54.1715 14.0211 -107.009 -85.943 -107.01 -3.79161 GPRESSURE: 2110800 -39.8196 -37.5265 -67.5633 -29.2808 -17.3966 -135.621 -238.167 3.35928 55.7439 PRESSAVG: 2110800 -4.9942 -2.79759 26.9276 -2.79762 -16.0811 40.6471 26.9275 40.6471 -6.58353 GPRESSAVG: 2110800 -5.05817 -2.23639 26.4236 -1.32811 -16.1579 39.927 28.8194 40.6454 -6.67961 TIMING: 2110800 CPU: 6746.17, 0.00314368/step Wall: 6746.17, 0.00314368/step, 2.52297 hours remaining, 234.843750 MB of memory in use. ENERGY: 2110800 4014.8102 20419.4459 14424.5909 258.2311 -203627.8058 2869.0724 0.0000 0.0000 52077.6982 -109563.9572 299.2912 -161641.6554 -109202.1515 298.9453 -31.2891 -0.4908 761288.5734 -9.2196 -9.2986 PRESSURE: 2111000 264.776 -36.0765 189.295 -36.075 23.0741 240.795 189.294 240.795 167.778 GPRESSURE: 2111000 292.381 20.2504 219.417 -95.8971 81.2215 250.782 147.231 231.923 174.134 PRESSAVG: 2111000 84.0937 -46.4029 28.1652 -46.4029 -80.0768 19.4126 28.1652 19.4126 -1.03703 GPRESSAVG: 2111000 83.9935 -45.8164 27.038 -46.4625 -79.9065 21.6285 24.9849 17.5137 -1.62546 TIMING: 2111000 CPU: 6746.8, 0.00315418/step Wall: 6746.8, 0.00315418/step, 2.53123 hours remaining, 234.843750 MB of memory in use. ENERGY: 2111000 3989.1295 20575.8072 14339.7267 224.1672 -203758.3577 2705.5475 0.0000 0.0000 52237.5634 -109686.4162 300.2100 -161923.9796 -109324.5117 298.7685 151.8757 182.5789 759528.9969 0.9933 0.8205 PRESSURE: 2111200 297.552 87.7681 166.612 87.7677 140.699 -55.93 166.611 -55.931 506.607 GPRESSURE: 2111200 211.086 23.0978 167.949 87.3347 267.2 -90.1913 121.169 -59.8225 549.244 PRESSAVG: 2111200 2.10423 12.5546 -74.707 12.5546 32.5006 19.1694 -74.707 19.1694 -10.6063 GPRESSAVG: 2111200 2.04322 12.3686 -73.9347 11.5462 32.7168 17.2961 -73.7084 20.3862 -10.3915 TIMING: 2111200 CPU: 6747.43, 0.00315109/step Wall: 6747.43, 0.00315109/step, 2.52858 hours remaining, 234.843750 MB of memory in use. ENERGY: 2111200 3956.6788 20456.1363 14400.1203 254.1173 -204025.0634 2904.6498 0.0000 0.0000 52365.3487 -109688.0122 300.9444 -162053.3609 -109325.1785 299.2828 314.9526 342.5100 758548.8759 7.9995 8.1228 PRESSURE: 2111400 -241.578 143.45 26.5277 143.449 -5.49978 163.524 26.5281 163.525 -80.459 GPRESSURE: 2111400 -160.489 61.2464 78.8988 10.7939 -45.1626 123.138 -32.0592 155.488 -25.2912 PRESSAVG: 2111400 14.6484 9.1109 -1.0583 9.11089 -29.8882 0.41276 -1.05831 0.412742 -19.6643 GPRESSAVG: 2111400 15.5984 8.70647 -1.74461 7.22133 -31.122 1.36273 -2.40027 0.283157 -19.2695 TIMING: 2111400 CPU: 6748.06, 0.00317381/step Wall: 6748.06, 0.00317381/step, 2.54663 hours remaining, 234.843750 MB of memory in use. ENERGY: 2111400 4011.8405 20552.1795 14515.1240 269.4947 -203071.9374 2554.8965 0.0000 0.0000 51733.4281 -109434.9741 297.3127 -161168.4022 -109077.7381 299.5704 -109.1790 -76.9808 760089.2191 -11.6347 -11.5977 PRESSURE: 2111600 -117.665 206.948 -86.6482 206.948 -1.56485 -16.1708 -86.648 -16.1717 264.207 GPRESSURE: 2111600 21.444 104.188 -93.1199 252.087 33.2062 -26.2912 -179.728 -83.0403 202.492 PRESSAVG: 2111600 -39.8894 -32.8176 -0.919274 -32.8176 13.7808 47.2238 -0.919289 47.2238 12.9859 GPRESSAVG: 2111600 -39.4473 -30.981 1.50307 -31.2069 13.4023 46.3431 0.121518 47.12 12.8087 TIMING: 2111600 CPU: 6748.7, 0.00316471/step Wall: 6748.7, 0.00316471/step, 2.53916 hours remaining, 234.843750 MB of memory in use. ENERGY: 2111600 3957.2061 20598.1608 14523.3742 266.9234 -203501.1874 2696.3267 0.0000 0.0000 52094.8001 -109364.3961 299.3895 -161459.1962 -108999.2419 299.6602 48.3256 85.7140 761025.8225 -4.3742 -4.4121 PRESSURE: 2111800 282.663 -125.905 109.749 -125.905 -64.1759 174.314 109.75 174.314 -234.014 GPRESSURE: 2111800 297.908 -164.072 51.3829 -111.773 -14.4761 92.1527 116.15 67.784 -213.82 PRESSAVG: 2111800 58.2659 -14.442 48.1175 -14.4419 -40.618 56.2748 48.1175 56.2748 8.42981 GPRESSAVG: 2111800 57.9844 -17.2163 45.676 -13.283 -40.2335 55.7203 49.3293 56.0653 8.01041 TIMING: 2111800 CPU: 6749.34, 0.00320847/step Wall: 6749.34, 0.00320847/step, 2.57409 hours remaining, 234.843750 MB of memory in use. ENERGY: 2111800 4010.1144 20517.2084 14495.7726 250.7938 -203416.6725 2451.0162 0.0000 0.0000 52242.2196 -109449.5474 300.2368 -161691.7670 -109080.6491 300.0471 -5.1754 23.2038 760452.6786 8.6925 8.5871 PRESSURE: 2112000 157.135 63.2069 -84.2236 63.2069 155.753 236.32 -84.2233 236.32 217.919 GPRESSURE: 2112000 172.671 97.544 -97.2322 79.775 165.751 265.519 -226.369 241.555 284.066 PRESSAVG: 2112000 43.052 -4.52184 -12.893 -4.52194 -44.7897 34.8944 -12.8929 34.8944 14.9327 GPRESSAVG: 2112000 44.168 -5.0546 -9.22274 -4.01678 -45.1515 36.0479 -16.4847 35.1765 14.407 TIMING: 2112000 CPU: 6749.97, 0.00316974/step Wall: 6749.97, 0.00316974/step, 2.54284 hours remaining, 234.843750 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: 2112000 3860.0928 20457.2651 14452.4990 241.9582 -203708.7814 2771.0406 0.0000 0.0000 52343.5418 -109582.3839 300.8191 -161925.9256 -109207.9240 299.5203 176.9355 207.4960 759697.9314 4.3984 4.4745 PRESSURE: 2112200 -2.29098 -19.1257 50.9041 -19.1264 418.622 148.187 50.9035 148.187 -2.53218 GPRESSURE: 2112200 61.1763 7.53876 -59.6055 -77.2946 368.354 71.2821 124.315 39.0106 63.433 PRESSAVG: 2112200 -4.39572 -27.2125 -75.1585 -27.2125 18.5895 -11.3769 -75.1586 -11.3769 -21.3095 GPRESSAVG: 2112200 -5.58645 -23.2564 -77.8013 -28.0682 19.5127 -13.5116 -72.7928 -10.8765 -20.4477 TIMING: 2112200 CPU: 6750.6, 0.00315444/step Wall: 6750.6, 0.00315444/step, 2.53038 hours remaining, 234.843750 MB of memory in use. ENERGY: 2112200 3979.9763 20585.3763 14500.7356 250.1817 -203565.5623 2633.7474 0.0000 0.0000 51981.1203 -109634.4247 298.7362 -161615.5450 -109271.7510 298.8844 137.9328 164.3209 758304.1048 -2.3719 -2.1738 LDB: ============= START OF LOAD BALANCING ============== 6763.03 LDB: ============== END OF LOAD BALANCING =============== 6763.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6763.03 LDB: ============= START OF LOAD BALANCING ============== 6763.34 LDB: Largest compute 7033 load 0.037944 is 19.4% of average load 0.195439 LDB: Average compute 0.004404 is 2.3% of average load 0.195439 LDB: TIME 6763.35 LOAD: AVG 0.195439 MAX 0.212901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 6763.35 LOAD: AVG 0.195439 MAX 0.212901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: TIME 6763.35 LOAD: AVG 0.195439 MAX 0.212901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: ============== END OF LOAD BALANCING =============== 6763.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6763.35 PRESSURE: 2112400 -172.385 -28.523 -129.513 -28.5223 107.739 76.2774 -129.513 76.2783 -162.668 GPRESSURE: 2112400 -104.666 -95.5241 -56.0378 -52.0546 165.87 13.8188 -73.7858 24.2933 -201.183 PRESSAVG: 2112400 -29.8927 -11.9344 5.6588 -11.9344 -11.105 1.05636 5.65883 1.05642 21.6441 GPRESSAVG: 2112400 -28.6437 -12.5545 6.3577 -11.7552 -12.4161 3.36946 6.01477 1.43709 21.5521 TIMING: 2112400 CPU: 6751.25, 0.00322579/step Wall: 6751.25, 0.00322579/step, 2.58745 hours remaining, 233.132812 MB of memory in use. ENERGY: 2112400 4031.9464 20633.4298 14494.3895 238.7953 -203357.6398 2444.1487 0.0000 0.0000 52026.3555 -109488.5746 298.9962 -161514.9301 -109136.2179 299.3814 -75.7715 -46.6598 759949.3213 -6.4512 -6.5026 PRESSURE: 2112600 -86.1777 59.0984 4.58755 59.0992 -11.0887 -105.277 4.5877 -105.277 -111.199 GPRESSURE: 2112600 -139.209 -13.8918 -47.9337 81.9965 38.9817 -88.5835 33.9496 -51.1168 -12.0721 PRESSAVG: 2112600 35.9617 -26.7379 1.54973 -26.7379 -46.2637 -26.7417 1.54971 -26.7417 -0.809375 GPRESSAVG: 2112600 35.0515 -30.5316 0.286657 -26.6306 -45.05 -28.3415 2.11092 -27.4434 -1.32503 TIMING: 2112600 CPU: 6751.88, 0.0031557/step Wall: 6751.88, 0.0031557/step, 2.53105 hours remaining, 233.335938 MB of memory in use. ENERGY: 2112600 3928.7457 20700.3939 14515.6540 262.9198 -203174.0868 2307.2678 0.0000 0.0000 52020.5013 -109438.6044 298.9625 -161459.1057 -109081.8075 299.1648 -69.4884 -37.4332 760591.1878 -3.7038 -3.7745 PRESSURE: 2112800 -182.614 -53.985 228.465 -53.9852 106.619 128.598 228.466 128.6 284.424 GPRESSURE: 2112800 -21.8831 47.2896 179.934 -99.2919 39.3829 236.346 75.6336 -90.3869 276.345 PRESSAVG: 2112800 48.6102 -40.1356 13.0926 -40.1357 -60.9235 -16.4005 13.0926 -16.4005 -9.87754 GPRESSAVG: 2112800 49.2793 -38.2112 12.9519 -38.8334 -60.8213 -14.8699 12.9333 -17.4962 -10.7524 TIMING: 2112800 CPU: 6752.51, 0.00316597/step Wall: 6752.51, 0.00316597/step, 2.53911 hours remaining, 233.335938 MB of memory in use. ENERGY: 2112800 3913.1345 20449.8685 14474.8429 253.0138 -203640.7064 2484.9567 0.0000 0.0000 52259.9621 -109804.9278 300.3387 -162064.8900 -109438.3763 299.1050 69.4764 97.9481 759191.1489 -7.3969 -7.4315 PRESSURE: 2113000 -63.3501 -72.764 -64.8788 -72.7643 92.4865 285.492 -64.8789 285.492 -287.518 GPRESSURE: 2113000 -125.436 -112.684 -64.0496 -79.0396 182.418 341.731 55.1036 312.728 -230.43 PRESSAVG: 2113000 23.9321 -23.8273 -18.4902 -23.8272 -55.79 -5.78564 -18.4903 -5.78567 27.6181 GPRESSAVG: 2113000 22.7503 -22.1938 -17.4462 -24.1512 -54.7625 -7.49847 -18.1253 -4.34267 28.3212 TIMING: 2113000 CPU: 6753.15, 0.00317536/step Wall: 6753.15, 0.00317536/step, 2.54646 hours remaining, 233.335938 MB of memory in use. ENERGY: 2113000 3964.4278 20423.7585 14516.9138 248.0110 -203089.0379 2186.2747 0.0000 0.0000 51941.5416 -109808.1105 298.5088 -161749.6521 -109440.2968 298.3829 -86.1271 -57.8160 759649.9514 -1.4133 -1.2303 PRESSURE: 2113200 136.077 160.758 -53.5066 160.757 -102.768 -67.9231 -53.5069 -67.923 223.567 GPRESSURE: 2113200 137.754 93.7121 -193.503 299.513 -54.5769 -57.9045 36.9271 134.41 270.739 PRESSAVG: 2113200 59.8085 2.00188 -36.2999 2.00179 -50.9309 -24.2731 -36.2998 -24.2732 -5.62669 GPRESSAVG: 2113200 60.0135 3.78389 -36.1022 0.360124 -51.5121 -23.0553 -37.0209 -25.2461 -5.12522 TIMING: 2113200 CPU: 6753.78, 0.00316509/step Wall: 6753.78, 0.00316509/step, 2.53805 hours remaining, 233.335938 MB of memory in use. ENERGY: 2113200 3973.5799 20321.7831 14488.0553 257.0649 -203513.6965 2716.0424 0.0000 0.0000 52107.7517 -109649.4191 299.4640 -161757.1708 -109283.1513 298.9583 85.6255 117.9721 761602.0320 1.0836 1.1254 PRESSURE: 2113400 -18.5538 116.451 -251.319 116.45 -98.9977 -36.4815 -251.319 -36.4819 305.907 GPRESSURE: 2113400 33.4282 77.9161 -369.726 58.9591 -105.668 -38.9691 -157.623 47.7624 363.268 PRESSAVG: 2113400 30.5497 13.0403 -20.3714 13.0404 -58.1488 -13.4965 -20.3714 -13.4965 -5.40546 GPRESSAVG: 2113400 32.0153 12.4166 -22.401 12.203 -59.4389 -15.7613 -19.41 -11.6369 -5.06015 TIMING: 2113400 CPU: 6754.41, 0.00315027/step Wall: 6754.41, 0.00315027/step, 2.52599 hours remaining, 233.335938 MB of memory in use. ENERGY: 2113400 3876.6347 20533.1428 14388.1032 240.3745 -203566.6302 2641.2642 0.0000 0.0000 52204.1146 -109682.9960 300.0178 -161887.1107 -109320.9038 298.8944 62.7852 97.0095 761803.6168 -11.0015 -10.8279 PRESSURE: 2113600 -144.188 -280.171 51.3189 -280.171 60.7542 -113.874 51.3182 -113.875 0.27556 GPRESSURE: 2113600 -48.3857 -181.833 91.6437 -246.951 107.616 -50.7153 -7.65694 -165.698 -30.5761 PRESSAVG: 2113600 -36.0161 2.33917 -29.8764 2.33919 -9.61436 -39.5552 -29.8764 -39.5551 7.20334 GPRESSAVG: 2113600 -36.6058 0.384496 -27.6202 4.80525 -7.54191 -38.4941 -31.7072 -40.2725 5.67564 TIMING: 2113600 CPU: 6755.04, 0.00313363/step Wall: 6755.04, 0.00313363/step, 2.51247 hours remaining, 233.335938 MB of memory in use. ENERGY: 2113600 3914.5676 20452.6199 14454.3969 231.0332 -203383.7460 2629.4736 0.0000 0.0000 52235.4851 -109466.1697 300.1981 -161701.6548 -109099.6123 299.3989 -27.7193 9.5513 761608.8933 -12.8090 -12.8240 PRESSURE: 2113800 -70.6506 -152.973 -190.561 -152.973 27.6428 -66.1736 -190.561 -66.1738 -222.116 GPRESSURE: 2113800 -4.92049 -32.3726 -230.323 -145.318 30.1639 -117.242 -180.084 -110.381 -199.717 PRESSAVG: 2113800 39.6259 17.4545 -49.4979 17.4545 -47.1474 -31.1433 -49.4978 -31.1433 -8.52718 GPRESSAVG: 2113800 39.5966 18.9592 -50.0894 16.8287 -48.762 -29.7314 -49.3422 -31.9138 -7.0268 TIMING: 2113800 CPU: 6755.67, 0.00316861/step Wall: 6755.67, 0.00316861/step, 2.54034 hours remaining, 233.335938 MB of memory in use. ENERGY: 2113800 3941.8945 20491.0536 14467.7738 248.5412 -203266.8115 2558.4130 0.0000 0.0000 52024.5951 -109534.5403 298.9861 -161559.1354 -109160.3179 298.8535 -88.3746 -58.1580 760411.9116 -5.3496 -5.3974 PRESSURE: 2114000 117.289 86.9189 61.4705 86.9193 -82.8602 62.0051 61.4699 62.0055 -231.296 GPRESSURE: 2114000 142.023 40.0833 55.096 56.7717 -21.6686 37.0555 157.23 133.084 -232.863 PRESSAVG: 2114000 75.3366 -7.09843 -37.8054 -7.09847 -62.5369 -48.3312 -37.8054 -48.3312 -10.569 GPRESSAVG: 2114000 75.1721 -8.67619 -39.4615 -6.78441 -62.5962 -49.2266 -36.4864 -48.6425 -10.845 TIMING: 2114000 CPU: 6756.31, 0.0031739/step Wall: 6756.31, 0.0031739/step, 2.54441 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2114000 3918.5046 20547.0103 14470.6398 250.9869 -203058.3340 2581.5941 0.0000 0.0000 51924.5595 -109365.0388 298.4112 -161289.5983 -109005.7797 299.2349 -65.6225 -37.5027 762061.8120 0.7436 0.5770 PRESSURE: 2114200 -48.3746 202.951 126.494 202.952 80.1937 -132.528 126.494 -132.528 -269.125 GPRESSURE: 2114200 -14.0782 77.2483 58.6839 237.932 160.569 -161.607 140.272 -56.4895 -283.149 PRESSAVG: 2114200 37.6116 -5.45448 4.98618 -5.45447 5.86292 -19.9769 4.98617 -19.9769 5.04181 GPRESSAVG: 2114200 37.0957 -5.91379 3.83809 -4.92074 6.23954 -19.8003 4.2881 -18.2528 5.15862 TIMING: 2114200 CPU: 6756.95, 0.00323473/step Wall: 6756.95, 0.00323473/step, 2.593 hours remaining, 233.335938 MB of memory in use. ENERGY: 2114200 3953.4753 20440.6768 14455.1837 246.5192 -203273.2657 2513.6556 0.0000 0.0000 52211.5480 -109452.2071 300.0605 -161663.7551 -109086.5450 299.1669 -79.1020 -45.5528 761293.5703 16.1721 16.1646 PRESSURE: 2114400 95.7451 102.412 -45.4756 102.411 237.301 -138.053 -45.4754 -138.054 116.814 GPRESSURE: 2114400 142.246 -38.4059 8.55181 64.3145 258.788 -200.974 -112.779 -159.768 133.149 PRESSAVG: 2114400 24.8085 -34.6201 -6.72477 -34.62 -39.2049 -46.782 -6.72472 -46.782 -15.0616 GPRESSAVG: 2114400 24.7322 -32.8667 -2.6425 -35.0951 -38.7271 -45.5173 -7.59903 -47.771 -15.6511 TIMING: 2114400 CPU: 6757.59, 0.0031936/step Wall: 6757.59, 0.0031936/step, 2.55985 hours remaining, 233.335938 MB of memory in use. ENERGY: 2114400 4042.6459 20285.4512 14495.1283 241.9967 -203322.4561 2844.4886 0.0000 0.0000 52041.3839 -109371.3615 299.0825 -161412.7454 -109005.8081 299.1718 149.9535 178.0609 761424.7072 -9.8193 -9.8820 PRESSURE: 2114600 273.91 -1.72525 -253.019 -1.72406 491.895 -147.164 -253.019 -147.164 168.065 GPRESSURE: 2114600 330.068 -28.3939 -211.253 12.881 458.98 -105.641 -141.447 -88.6389 232.862 PRESSAVG: 2114600 -35.0835 -46.4024 -0.866435 -46.4025 18.6954 19.8023 -0.866417 19.8023 -11.0057 GPRESSAVG: 2114600 -33.7617 -45.1954 -3.53471 -45.7994 17.3656 19.2003 -0.188658 19.0093 -11.0666 TIMING: 2114600 CPU: 6758.23, 0.00317991/step Wall: 6758.23, 0.00317991/step, 2.54869 hours remaining, 233.335938 MB of memory in use. ENERGY: 2114600 4030.4252 20514.3397 14537.7823 249.4707 -202994.4136 2574.0123 0.0000 0.0000 51969.6630 -109118.7204 298.6704 -161088.3833 -108750.8903 299.2854 311.2899 340.6366 760360.4116 -9.1313 -9.1542 PRESSURE: 2114800 -215.009 -170.827 -80.9629 -170.828 -276.038 117.375 -80.9637 117.375 -78.1592 GPRESSURE: 2114800 -230.957 -186.888 -72.6183 -169.327 -205.184 190.01 -142.848 66.6065 -23.2073 PRESSAVG: 2114800 48.5187 30.4156 84.8417 30.4155 13.2374 17.2252 84.8418 17.2252 7.92529 GPRESSAVG: 2114800 47.1673 29.2186 86.9421 31.5477 14.2825 16.1489 83.9023 19.114 8.00873 TIMING: 2114800 CPU: 6758.87, 0.00322222/step Wall: 6758.87, 0.00322222/step, 2.58243 hours remaining, 233.335938 MB of memory in use. ENERGY: 2114800 3924.7175 20405.4905 14523.8238 271.6730 -202706.1322 2197.8496 0.0000 0.0000 52165.4273 -109217.1504 299.7954 -161382.5777 -108847.2826 299.5742 -189.7354 -153.1158 762075.0633 23.2271 23.1528 PRESSURE: 2115000 -270.187 -0.322826 122.835 -0.323878 -284.038 0.412112 122.834 0.41206 -61.8968 GPRESSURE: 2115000 -235.194 9.37764 135.629 -19.9757 -221.846 -70.7992 20.1256 -4.33399 -62.92 PRESSAVG: 2115000 62.0672 -9.43041 -3.38905 -9.43043 -35.3334 59.9011 -3.38907 59.901 -1.13124 GPRESSAVG: 2115000 61.7138 -11.0093 -3.74862 -9.89069 -35.5282 60.3891 -1.4931 57.5174 -0.954277 TIMING: 2115000 CPU: 6759.51, 0.00321047/step Wall: 6759.51, 0.00321047/step, 2.57283 hours remaining, 233.335938 MB of memory in use. ENERGY: 2115000 3977.1856 20378.5977 14511.7012 255.0524 -203193.9074 2300.7881 0.0000 0.0000 52601.4082 -109169.1741 302.3010 -161770.5823 -108797.9607 299.9661 -205.3739 -173.3199 760404.3911 8.5342 8.4104 PRESSURE: 2115200 -484.53 -257.901 63.6288 -257.902 92.4015 -356.189 63.6299 -356.189 -102.735 GPRESSURE: 2115200 -449.885 -315.139 156.977 -226.291 78.265 -419.169 20.019 -475.66 -37.4179 PRESSAVG: 2115200 -55.8128 23.159 -2.97604 23.159 36.9183 -16.9421 -2.97611 -16.9421 -13.9859 GPRESSAVG: 2115200 -55.4038 24.202 -3.24661 20.8593 36.6861 -16.0572 -6.09814 -17.3498 -13.9947 TIMING: 2115200 CPU: 6760.14, 0.00314973/step Wall: 6760.14, 0.00314973/step, 2.52398 hours remaining, 233.335938 MB of memory in use. ENERGY: 2115200 3966.7594 20600.4192 14552.5311 261.7361 -202747.3065 2271.9357 0.0000 0.0000 51970.2173 -109123.7078 298.6736 -161093.9251 -108766.5846 300.1142 -164.9547 -136.3460 760175.7925 -10.9602 -10.9041 PRESSURE: 2115400 -73.7318 56.0723 -186.564 56.0728 4.78808 -239.085 -186.564 -239.084 222.633 GPRESSURE: 2115400 -41.4852 73.2137 -250.112 2.24504 91.9585 -70.8626 -102.358 -167.504 178.077 PRESSAVG: 2115400 24.9311 -63.6992 -39.4389 -63.6992 27.3445 -38.5296 -39.4389 -38.5297 -0.327197 GPRESSAVG: 2115400 26.0328 -64.3166 -39.0863 -62.2313 26.8987 -39.4317 -38.8521 -36.9787 -0.926348 TIMING: 2115400 CPU: 6760.79, 0.00321699/step Wall: 6760.79, 0.00321699/step, 2.5777 hours remaining, 233.335938 MB of memory in use. ENERGY: 2115400 3943.3577 20429.8118 14499.1869 246.3070 -203016.7076 2381.1970 0.0000 0.0000 52257.5021 -109259.3452 300.3246 -161516.8472 -108884.2184 299.9779 51.2298 76.1833 761321.9189 17.3161 17.3350 PRESSURE: 2115600 135.06 -40.9233 -127.88 -40.9231 353.522 301.37 -127.88 301.369 85.8777 GPRESSURE: 2115600 218.309 -59.0115 -87.9372 -35.9405 368.706 272.968 -135.965 240.333 93.0555 PRESSAVG: 2115600 65.4121 -31.9294 21.6683 -31.9294 -80.4625 9.1521 21.6683 9.15214 20.7737 GPRESSAVG: 2115600 65.548 -31.3366 21.8499 -32.613 -81.1536 7.3579 21.1758 10.0541 21.142 TIMING: 2115600 CPU: 6761.42, 0.00317875/step Wall: 6761.42, 0.00317875/step, 2.54689 hours remaining, 233.335938 MB of memory in use. ENERGY: 2115600 3946.9513 20579.8952 14474.3174 257.7625 -203337.0312 2598.7791 0.0000 0.0000 52268.8324 -109210.4933 300.3897 -161479.3256 -108851.0863 299.8840 191.4865 226.6900 760870.0784 1.9078 1.8455 PRESSURE: 2115800 -90.4942 12.81 -30.4171 12.8107 -300.454 42.2753 -30.4178 42.2748 145.05 GPRESSURE: 2115800 -65.0899 -59.0757 -79.3971 59.4255 -284.449 -0.316304 167.54 -19.067 189.058 PRESSAVG: 2115800 12.6847 -77.348 26.6311 -77.3479 -41.0327 3.85487 26.6311 3.85487 -11.5147 GPRESSAVG: 2115800 11.4146 -75.6589 24.4839 -77.0192 -41.1251 5.77824 28.9056 2.41218 -9.85556 TIMING: 2115800 CPU: 6762.06, 0.00315879/step Wall: 6762.06, 0.00315879/step, 2.53072 hours remaining, 233.335938 MB of memory in use. ENERGY: 2115800 4120.0159 20623.1427 14488.8949 239.6127 -203336.6651 2663.0151 0.0000 0.0000 52094.2498 -109107.7340 299.3864 -161201.9838 -108743.4414 300.0191 -81.9663 -53.4936 761307.0785 -13.2876 -13.1887 PRESSURE: 2116000 -384.213 214.515 88.0112 214.514 10.5374 -3.41423 88.0115 -3.41388 37.9402 GPRESSURE: 2116000 -372.12 202.218 119.132 199.345 49.9891 12.6779 94.8263 57.6043 72.7592 PRESSAVG: 2116000 25.5066 16.7009 44.5152 16.7009 -25.4128 -12.69 44.5152 -12.69 3.79969 GPRESSAVG: 2116000 26.1149 14.8198 46.8503 16.0448 -25.7525 -13.3793 44.3499 -12.5116 3.6208 TIMING: 2116000 CPU: 6762.69, 0.00315324/step Wall: 6762.69, 0.00315324/step, 2.5261 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2116000 4068.5718 20671.4797 14536.2768 247.1064 -203462.8066 2684.3642 0.0000 0.0000 52053.9846 -109201.0231 299.1550 -161255.0077 -108853.1026 299.8513 -111.9117 -83.1238 761699.3686 1.2978 1.3277 PRESSURE: 2116200 344.938 -94.1938 146.234 -94.1949 45.8425 -168.548 146.235 -168.548 12.5762 GPRESSURE: 2116200 354.753 -134.229 61.5235 -133.92 111.237 -141.212 223.001 47.1458 31.6956 PRESSAVG: 2116200 -20.9488 -21.9209 33.2047 -21.9209 -10.525 -21.7243 33.2046 -21.7244 -9.20663 GPRESSAVG: 2116200 -21.3055 -21.9178 31.7602 -20.4569 -9.157 -22.4085 31.5957 -20.7115 -9.87466 TIMING: 2116200 CPU: 6763.32, 0.00318014/step Wall: 6763.32, 0.00318014/step, 2.54747 hours remaining, 233.335938 MB of memory in use. ENERGY: 2116200 4024.2131 20427.4807 14442.9769 234.2513 -203645.3566 2717.7968 0.0000 0.0000 52201.8203 -109596.8175 300.0046 -161798.6378 -109239.0098 299.1943 134.4521 165.8951 762505.4170 -13.5602 -13.4457 LDB: ============= START OF LOAD BALANCING ============== 6775.75 LDB: ============== END OF LOAD BALANCING =============== 6775.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6775.75 LDB: ============= START OF LOAD BALANCING ============== 6776.07 LDB: Largest compute 7033 load 0.037851 is 19.4% of average load 0.195461 LDB: Average compute 0.004416 is 2.3% of average load 0.195461 LDB: TIME 6776.07 LOAD: AVG 0.195461 MAX 0.214289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 6776.07 LOAD: AVG 0.195461 MAX 0.214289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: TIME 6776.07 LOAD: AVG 0.195461 MAX 0.214289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: ============== END OF LOAD BALANCING =============== 6776.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6776.08 PRESSURE: 2116400 -4.25873 36.5367 -49.5806 36.5377 177.449 149.63 -49.5801 149.631 39.3741 GPRESSURE: 2116400 91.5871 -42.1344 -61.9916 107.708 254.441 51.7714 -100.123 216.463 -40.3623 PRESSAVG: 2116400 -20.148 20.2806 27.36 20.2806 53.8153 -35.0025 27.36 -35.0025 23.5779 GPRESSAVG: 2116400 -19.4871 19.8682 28.2473 19.3261 53.3309 -32.5118 28.5177 -36.0873 22.8535 TIMING: 2116400 CPU: 6763.97, 0.00323909/step Wall: 6763.97, 0.00323909/step, 2.59451 hours remaining, 234.835938 MB of memory in use. ENERGY: 2116400 4001.7546 20390.5404 14500.1912 249.3562 -203608.5101 2758.1915 0.0000 0.0000 52189.5930 -109518.8831 299.9343 -161708.4761 -109150.4031 299.0299 70.8547 101.8887 761098.3038 19.0817 18.8991 PRESSURE: 2116600 -13.9653 -58.7382 55.18 -58.7385 27.0342 113.507 55.1798 113.506 229.963 GPRESSURE: 2116600 82.5082 -39.0782 91.0005 -91.9471 -68.146 136.656 -89.1022 116.943 318.045 PRESSAVG: 2116600 -11.3464 -10.1679 1.15124 -10.1679 24.399 18.2391 1.15119 18.2391 13.6889 GPRESSAVG: 2116600 -10.5949 -9.09995 1.05147 -9.06655 23.7088 18.0773 -0.588242 18.7323 13.2459 TIMING: 2116600 CPU: 6764.6, 0.00315574/step Wall: 6764.6, 0.00315574/step, 2.52757 hours remaining, 235.035156 MB of memory in use. ENERGY: 2116600 3968.8717 20436.4820 14456.9078 244.6437 -203458.4579 2535.5709 0.0000 0.0000 52293.7627 -109522.2190 300.5330 -161815.9818 -109156.7269 299.2167 81.0108 110.8023 760628.8870 8.9138 8.7866 PRESSURE: 2116800 -118.977 29.0413 -173.274 29.0418 -66.766 76.5533 -173.273 76.5533 -402.089 GPRESSURE: 2116800 -145.223 -46.439 -222.064 13.8273 -27.1411 71.0793 -88.2116 159.767 -331.038 PRESSAVG: 2116800 28.8987 -112.623 -1.37381 -112.623 -19.7615 -28.724 -1.37376 -28.724 29.3922 GPRESSAVG: 2116800 28.2552 -113.647 -0.867959 -113.695 -20.0109 -29.2852 -0.406692 -29.8794 30.5423 TIMING: 2116800 CPU: 6765.23, 0.00315577/step Wall: 6765.23, 0.00315577/step, 2.52742 hours remaining, 235.035156 MB of memory in use. ENERGY: 2116800 4032.9448 20602.5582 14527.3167 253.4890 -203726.3204 2826.5791 0.0000 0.0000 52041.7366 -109441.6959 299.0846 -161483.4326 -109083.1474 299.2470 -195.9440 -167.8006 760300.9146 12.8431 12.9289 PRESSURE: 2117000 10.0115 8.22227 -206.482 8.22176 -450.295 256.759 -206.481 256.759 -252 GPRESSURE: 2117000 -13.3034 0.163459 -223.89 29.5154 -380.515 270.206 -159.124 297.379 -197.42 PRESSAVG: 2117000 11.9518 -26.9681 0.803716 -26.9682 -17.9757 -14.7151 0.803701 -14.715 -2.10699 GPRESSAVG: 2117000 10.8375 -25.7447 -0.187207 -26.6938 -17.4923 -14.1202 1.72519 -15.1769 -1.59703 TIMING: 2117000 CPU: 6765.86, 0.00315496/step Wall: 6765.86, 0.00315496/step, 2.5266 hours remaining, 235.035156 MB of memory in use. ENERGY: 2117000 3990.7459 20557.9237 14432.0271 232.9719 -203251.8506 2405.2327 0.0000 0.0000 52211.8884 -109421.0609 300.0624 -161632.9493 -109055.9998 299.5059 -230.7611 -197.0795 760986.7482 -2.7103 -2.7506 PRESSURE: 2117200 73.3101 -63.2016 309.261 -63.201 470.714 25.3154 309.262 25.3147 98.3597 GPRESSURE: 2117200 87.4914 -140.45 383.171 -41.8479 493.884 29.8953 280.227 60.5463 137.046 PRESSAVG: 2117200 41.7474 -25.8136 71.9138 -25.8136 -15.4917 22.3426 71.9138 22.3426 -0.458353 GPRESSAVG: 2117200 41.8967 -26.7415 73.3988 -25.5154 -14.9663 20.5659 71.3006 22.4322 -1.4156 TIMING: 2117200 CPU: 6766.49, 0.00315805/step Wall: 6766.49, 0.00315805/step, 2.5289 hours remaining, 235.035156 MB of memory in use. ENERGY: 2117200 3985.2708 20438.3666 14442.1681 241.0092 -203372.8539 2568.5768 0.0000 0.0000 52112.7553 -109584.7070 299.4927 -161697.4623 -109225.0518 300.0277 214.1278 239.4738 759999.9451 8.5991 8.5049 PRESSURE: 2117400 177.295 147.918 306.33 147.918 -269.614 297.519 306.329 297.52 -196.086 GPRESSURE: 2117400 99.4157 186.438 319.591 4.70237 -268.691 272.976 103.72 217.859 -26.8589 PRESSAVG: 2117400 14.744 -17.3996 71.6313 -17.3996 -27.5229 15.4206 71.6312 15.4206 9.45166 GPRESSAVG: 2117400 15.2019 -16.443 70.864 -17.2524 -28.2822 16.6729 70.4448 15.9898 9.36863 TIMING: 2117400 CPU: 6767.12, 0.00313397/step Wall: 6767.12, 0.00313397/step, 2.50944 hours remaining, 235.035156 MB of memory in use. ENERGY: 2117400 4036.9782 20462.3202 14508.2127 247.1174 -203504.9367 2563.0462 0.0000 0.0000 52242.7419 -109444.5202 300.2398 -161687.2621 -109077.5370 299.7618 -96.1349 -65.3782 760266.9722 -1.1091 -1.2372 PRESSURE: 2117600 -62.367 -108.217 -110.578 -108.217 160.478 66.2128 -110.577 66.2128 -86.7447 GPRESSURE: 2117600 92.3251 -34.072 -25.8647 18.7021 64.2752 55.567 -2.73176 32.6841 -69.5205 PRESSAVG: 2117600 46.1247 5.96095 8.95233 5.96099 -13.5805 0.334322 8.95233 0.33425 -6.44273 GPRESSAVG: 2117600 45.8132 6.04806 8.43229 4.9879 -12.6969 -0.129203 11.2915 0.814922 -7.33768 TIMING: 2117600 CPU: 6767.75, 0.00312542/step Wall: 6767.75, 0.00312542/step, 2.50242 hours remaining, 235.035156 MB of memory in use. ENERGY: 2117600 3961.5834 20453.0498 14532.5532 237.0924 -203235.6888 2451.5166 0.0000 0.0000 51938.0999 -109661.7935 298.4890 -161599.8934 -109303.6983 299.3188 3.7886 29.0266 761066.6405 8.7005 8.5929 PRESSURE: 2117800 385.564 119.343 21.5824 119.344 486.411 -95.0557 21.5825 -95.0552 306.659 GPRESSURE: 2117800 438.739 72.7571 -32.6125 67.8693 482.058 -180.972 86.1935 -63.8074 343.024 PRESSAVG: 2117800 45.4472 -39.624 -14.6166 -39.624 -67.8654 39.5404 -14.6166 39.5405 2.76417 GPRESSAVG: 2117800 47.1972 -41.4277 -14.7641 -39.3928 -69.2366 38.1724 -14.9261 41.0248 3.1892 TIMING: 2117800 CPU: 6768.38, 0.00314317/step Wall: 6768.38, 0.00314317/step, 2.51646 hours remaining, 235.035156 MB of memory in use. ENERGY: 2117800 3959.7621 20589.7412 14449.8036 235.1314 -203692.0584 2776.5584 0.0000 0.0000 52096.6740 -109584.3877 299.4003 -161681.0617 -109224.1214 299.6633 392.8780 421.2735 757472.2530 -6.5513 -6.2834 PRESSURE: 2118000 214.966 -9.91989 -186.371 -9.91941 147.618 -168.032 -186.371 -168.032 -4.84094 GPRESSURE: 2118000 246.292 -147.467 -179.199 -86.731 177.677 -162.751 -198.068 -197.202 26.7325 PRESSAVG: 2118000 29.1085 -36.8451 -18.1692 -36.8451 -36.3223 34.2047 -18.1692 34.2047 -4.30842 GPRESSAVG: 2118000 29.1505 -35.6784 -18.0313 -36.0496 -35.6069 35.9587 -17.6905 32.308 -4.97597 TIMING: 2118000 CPU: 6769.01, 0.00318745/step Wall: 6769.01, 0.00318745/step, 2.55173 hours remaining, 235.035156 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: 2118000 4025.2212 20218.6273 14506.7083 270.5965 -203074.9703 2304.0893 0.0000 0.0000 52026.2219 -109723.5057 298.9954 -161749.7276 -109353.5327 298.7860 119.2476 150.2341 758517.0780 -3.8408 -3.8108 PRESSURE: 2118200 124.315 -54.3383 -141.953 -54.3376 -411.032 3.38841 -141.953 3.38952 -98.9176 GPRESSURE: 2118200 89.9239 -49.8829 -78.6319 -96.9041 -362.107 -41.9645 -121.304 -43.1714 -38.7082 PRESSAVG: 2118200 -32.3248 -74.0456 -23.9147 -74.0456 -7.53968 -4.47615 -23.9147 -4.47616 8.29747 GPRESSAVG: 2118200 -33.117 -73.6192 -24.1965 -74.1118 -6.59434 -6.04164 -26.3704 -3.14572 8.25046 TIMING: 2118200 CPU: 6769.65, 0.00318685/step Wall: 6769.65, 0.00318685/step, 2.55108 hours remaining, 235.035156 MB of memory in use. ENERGY: 2118200 4018.7629 20477.2703 14410.6424 250.7941 -203343.9939 2587.1643 0.0000 0.0000 51976.2967 -109623.0631 298.7085 -161599.3598 -109259.3296 299.2726 -128.5448 -103.6304 760924.6427 -10.5223 -10.4870 PRESSURE: 2118400 -294.027 131.465 -171.962 131.465 -424.74 15.1006 -171.961 15.0994 -335.828 GPRESSURE: 2118400 -307.555 -33.4911 -106.618 -10.5992 -390.748 24.2646 -188.646 20.7448 -271.215 PRESSAVG: 2118400 42.2156 -60.3606 11.3328 -60.3606 -26.419 57.0426 11.3328 57.0426 -1.02777 GPRESSAVG: 2118400 41.6075 -59.8973 11.7761 -60.7083 -26.2964 57.522 13.3141 56.1282 -0.878181 TIMING: 2118400 CPU: 6770.28, 0.00316243/step Wall: 6770.28, 0.00316243/step, 2.53135 hours remaining, 235.035156 MB of memory in use. ENERGY: 2118400 4002.1734 20394.3608 14502.5820 256.2987 -203117.6313 2162.3355 0.0000 0.0000 52067.3039 -109732.5770 299.2315 -161799.8809 -109373.2824 299.1275 -351.5318 -323.1724 759393.0501 4.9230 4.8110 PRESSURE: 2118600 -34.176 -100.951 -341.287 -100.951 -103.88 -162.629 -341.286 -162.629 -348.924 GPRESSURE: 2118600 23.7131 -43.5917 -255.519 -78.6056 -68.3292 -118.493 -320.227 -275.195 -341.041 PRESSAVG: 2118600 -21.6957 -46.6323 -36.2175 -46.6323 24.9026 -0.0820607 -36.2176 -0.0820986 -11.6185 GPRESSAVG: 2118600 -20.8304 -46.5513 -34.9332 -45.3644 23.4194 0.548801 -37.6461 -1.18278 -11.1731 TIMING: 2118600 CPU: 6770.91, 0.00315591/step Wall: 6770.91, 0.00315591/step, 2.52595 hours remaining, 235.035156 MB of memory in use. ENERGY: 2118600 4021.4470 20336.3560 14408.1844 256.2708 -203930.4431 2667.3710 0.0000 0.0000 52485.3012 -109755.5128 301.6337 -162240.8140 -109385.0215 299.2152 -162.3268 -128.5524 758180.3276 -2.8039 -2.8613 PRESSURE: 2118800 -164.958 -196.807 -241.145 -196.807 72.3388 -64.6814 -241.145 -64.6822 23.5093 GPRESSURE: 2118800 -149.13 -168.967 -318.111 -155.496 93.5987 -44.583 -173.562 42.5192 70.147 PRESSAVG: 2118800 65.8619 -33.7805 31.1414 -33.7805 -62.6014 14.1829 31.1414 14.183 -24.9669 GPRESSAVG: 2118800 65.0469 -33.096 28.4423 -34.9598 -61.8809 14.0556 33.2836 15.5249 -25.0183 TIMING: 2118800 CPU: 6771.54, 0.00314639/step Wall: 6771.54, 0.00314639/step, 2.51816 hours remaining, 235.035156 MB of memory in use. ENERGY: 2118800 3921.9413 20603.2444 14459.8902 225.9443 -203432.5867 2254.8115 0.0000 0.0000 51996.2734 -109970.4816 298.8233 -161966.7550 -109601.6005 298.9823 -23.0365 4.8718 759705.8295 -7.2355 -7.2841 PRESSURE: 2119000 137.574 -110.171 -199.041 -110.172 98.6872 -54.321 -199.041 -54.3213 50.7295 GPRESSURE: 2119000 126.465 -124.423 -75.2143 -249.597 212.86 -100.774 -258.358 -26.3509 21.6683 PRESSAVG: 2119000 -26.4698 -118.84 -41.3928 -118.84 -10.5942 -0.985602 -41.3929 -0.985773 2.46839 GPRESSAVG: 2119000 -27.1191 -120.379 -39.0243 -118.112 -10.2415 -2.92802 -41.6177 -0.555482 2.54622 TIMING: 2119000 CPU: 6772.18, 0.00317189/step Wall: 6772.18, 0.00317189/step, 2.53839 hours remaining, 235.035156 MB of memory in use. ENERGY: 2119000 3936.5871 20399.7420 14430.9110 245.1643 -203615.4250 2646.2272 0.0000 0.0000 51981.6273 -109975.1661 298.7391 -161956.7934 -109593.8831 298.3888 95.6637 120.3309 760952.9453 -11.5319 -11.6048 PRESSURE: 2119200 -37.1734 13.7306 102.17 13.73 145.284 76.1319 102.17 76.1314 247.66 GPRESSURE: 2119200 34.1222 49.6997 61.1548 -149.638 160.968 59.6482 176.582 43.1534 239.568 PRESSAVG: 2119200 9.65054 -42.936 -9.62208 -42.936 23.2441 57.1795 -9.62211 57.1794 -3.78184 GPRESSAVG: 2119200 9.19339 -43.762 -10.8264 -44.9246 23.7375 59.5618 -9.70882 55.4521 -3.90068 TIMING: 2119200 CPU: 6772.81, 0.00315131/step Wall: 6772.81, 0.00315131/step, 2.52175 hours remaining, 235.035156 MB of memory in use. ENERGY: 2119200 3956.5053 20359.1714 14406.8072 224.5959 -203464.9198 2575.9229 0.0000 0.0000 52148.5009 -109793.4162 299.6982 -161941.9170 -109418.7411 298.6036 118.5901 144.8863 760550.7504 9.7043 9.6767 PRESSURE: 2119400 99.0832 -148.314 5.77276 -148.314 163.783 -71.1817 5.77186 -71.1822 199.316 GPRESSURE: 2119400 129.885 -7.03794 -84.8476 -145.046 217.293 -149.426 -29.9475 -128.503 199.1 PRESSAVG: 2119400 11.0721 -1.91699 6.5268 -1.91703 30.6714 31.6757 6.52675 31.6757 -2.79883 GPRESSAVG: 2119400 12.0356 -1.62576 6.19866 0.665175 29.9111 29.7038 5.09831 34.3774 -2.83269 TIMING: 2119400 CPU: 6773.44, 0.00316961/step Wall: 6773.44, 0.00316961/step, 2.53621 hours remaining, 235.035156 MB of memory in use. ENERGY: 2119400 4015.4985 20419.9253 14418.8592 266.2974 -203492.7911 2533.2897 0.0000 0.0000 51926.4511 -109912.4700 298.4220 -161838.9211 -109553.8224 298.9093 154.0610 182.0927 759340.6917 12.9816 13.0380 PRESSURE: 2119600 373.924 -143.674 -106.177 -143.674 112.832 -86.7611 -106.176 -86.7612 -52.269 GPRESSURE: 2119600 436.833 -185.644 -29.1228 -200.495 123.658 -42.5986 -84.2237 -46.1993 -48.3669 PRESSAVG: 2119600 -12.8998 -25.5113 2.06522 -25.5112 46.8784 33.0459 2.06523 33.0459 0.553418 GPRESSAVG: 2119600 -12.777 -23.9294 2.00748 -27.3375 46.5457 33.6952 2.89663 32.2623 0.603614 TIMING: 2119600 CPU: 6774.08, 0.00318229/step Wall: 6774.08, 0.00318229/step, 2.54618 hours remaining, 235.035156 MB of memory in use. ENERGY: 2119600 4017.3179 20452.8238 14392.9589 227.4858 -203708.3708 2601.0971 0.0000 0.0000 52100.9369 -109915.7504 299.4248 -162016.6873 -109556.0147 298.8641 144.8289 170.7083 758401.6185 11.5107 11.4575 PRESSURE: 2119800 -239.153 -47.8747 83.5908 -47.8749 -115.87 108.051 83.592 108.052 -225.362 GPRESSURE: 2119800 -54.5971 -120.044 116.92 -58.3721 -162.489 77.257 62.3739 82.7682 -265.88 PRESSAVG: 2119800 31.6625 -17.1331 -18.9083 -17.1331 -40.4423 26.5117 -18.9083 26.5117 -3.95105 GPRESSAVG: 2119800 32.6708 -17.7339 -18.205 -17.0782 -41.6848 26.3144 -18.0459 26.5911 -3.72815 TIMING: 2119800 CPU: 6774.7, 0.00313234/step Wall: 6774.7, 0.00313234/step, 2.50604 hours remaining, 235.035156 MB of memory in use. ENERGY: 2119800 3979.4669 20348.2580 14530.8220 224.2376 -203262.5856 2245.3245 0.0000 0.0000 52028.1251 -109906.3515 299.0064 -161934.4766 -109548.3095 298.9826 -193.4617 -160.9890 761729.1925 -4.2436 -4.2474 PRESSURE: 2120000 304.866 21.3781 69.3198 21.3783 -33.527 -254.408 69.3192 -254.408 130.446 GPRESSURE: 2120000 248.033 93.3713 -2.38508 30.9098 44.4002 -208.437 34.0687 -172.227 189.29 PRESSAVG: 2120000 24.5286 -20.2849 -19.4312 -20.2849 -41.2955 52.8776 -19.4312 52.8776 -18.1204 GPRESSAVG: 2120000 23.9246 -19.9248 -19.7129 -21.6963 -40.3183 54.1318 -20.4688 54.0455 -18.7246 TIMING: 2120000 CPU: 6775.33, 0.00314799/step Wall: 6775.33, 0.00314799/step, 2.51839 hours remaining, 235.035156 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: 2120000 3938.5914 20352.5903 14410.1623 244.0869 -204084.8805 2908.2082 0.0000 0.0000 52267.0119 -109964.2294 300.3792 -162231.2414 -109597.3775 298.5905 133.9282 160.5741 759639.5137 -11.6291 -11.7061 PRESSURE: 2120200 -48.7439 -33.6027 109.311 -33.6032 -264.911 235.981 109.312 235.98 -198.542 GPRESSURE: 2120200 -64.0392 56.3639 142.446 1.10643 -205.415 257.558 74.6422 227.494 -147.607 PRESSAVG: 2120200 34.0935 -1.7548 9.78379 -1.75488 -27.8944 -0.892252 9.78378 -0.892299 9.85213 GPRESSAVG: 2120200 33.3524 -4.97898 7.08165 2.77245 -28.2376 -2.09883 9.63636 -2.63375 10.3839 TIMING: 2120200 CPU: 6775.96, 0.00313615/step Wall: 6775.96, 0.00313615/step, 2.50875 hours remaining, 235.035156 MB of memory in use. ENERGY: 2120200 4048.5929 20543.3149 14405.8498 248.9064 -203540.1806 2577.5439 0.0000 0.0000 51710.4658 -110005.5069 297.1808 -161715.9727 -109651.9638 298.5646 -170.7325 -139.0201 760414.6414 5.3504 5.1662 LDB: ============= START OF LOAD BALANCING ============== 6788.38 LDB: ============== END OF LOAD BALANCING =============== 6788.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6788.38 LDB: ============= START OF LOAD BALANCING ============== 6788.7 LDB: Largest compute 7033 load 0.035764 is 18.3% of average load 0.195540 LDB: Average compute 0.004414 is 2.3% of average load 0.195540 LDB: TIME 6788.7 LOAD: AVG 0.19554 MAX 0.213375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.078 MB LDB: TIME 6788.7 LOAD: AVG 0.19554 MAX 0.213375 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.078 MB LDB: TIME 6788.7 LOAD: AVG 0.19554 MAX 0.213375 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.078 MB LDB: ============== END OF LOAD BALANCING =============== 6788.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6788.71 PRESSURE: 2120400 31.7642 139.358 -184.982 139.358 -21.4515 -204.217 -184.982 -204.217 -131.744 GPRESSURE: 2120400 132.056 111.183 -222.155 158.697 5.9334 -189.558 -38.3372 -211.549 -165.088 PRESSAVG: 2120400 20.0003 38.5326 13.8155 38.5326 -38.997 41.242 13.8155 41.242 13.9311 GPRESSAVG: 2120400 19.9691 40.9542 14.5805 37.8546 -38.0469 41.214 16.1661 43.0191 13.5696 TIMING: 2120400 CPU: 6776.6, 0.00319791/step Wall: 6776.6, 0.00319791/step, 2.55797 hours remaining, 233.035156 MB of memory in use. ENERGY: 2120400 4116.1690 20285.1608 14428.3698 246.0245 -204131.3902 3184.5933 0.0000 0.0000 51951.7880 -109919.2847 298.5676 -161871.0727 -109555.4466 297.9872 -40.4770 -9.0326 760826.0359 -1.6886 -1.5027 PRESSURE: 2120600 -112.817 -108.236 5.18256 -108.237 -41.9837 -14.5306 5.18201 -14.5305 -297.055 GPRESSURE: 2120600 -75.4502 -77.2152 -28.5731 -100.755 -18.3485 54.2011 98.9229 43.7192 -263.264 PRESSAVG: 2120600 55.307 -41.2026 14.4524 -41.2026 -22.3664 43.4686 14.4525 43.4685 13.3811 GPRESSAVG: 2120600 55.4773 -40.6194 14.5638 -43.9179 -23.8921 45.6927 14.9808 40.9788 15.1906 TIMING: 2120600 CPU: 6777.23, 0.0031414/step Wall: 6777.23, 0.0031414/step, 2.5126 hours remaining, 233.035156 MB of memory in use. ENERGY: 2120600 4067.7473 20416.9337 14367.3064 249.3463 -203660.3279 2582.7441 0.0000 0.0000 52030.4893 -109945.7608 299.0199 -161976.2501 -109586.9662 298.1653 -150.6185 -119.0208 760100.2014 15.4406 15.5919 PRESSURE: 2120800 5.12926 45.2054 -175.8 45.2045 -155.843 519.334 -175.8 519.334 131.558 GPRESSURE: 2120800 68.7035 -38.5887 -213.063 50.9499 -161.928 499.867 -167.154 373.538 141.729 PRESSAVG: 2120800 -11.2134 -32.2082 43.0413 -32.2083 -21.4865 32.7007 43.0413 32.7007 2.14586 GPRESSAVG: 2120800 -10.4618 -33.4811 42.5825 -29.3949 -21.5831 31.6704 41.5543 33.406 1.198 TIMING: 2120800 CPU: 6777.86, 0.0031334/step Wall: 6777.86, 0.0031334/step, 2.50602 hours remaining, 233.035156 MB of memory in use. ENERGY: 2120800 3992.3100 20296.5803 14449.4860 254.8807 -203637.3994 2530.4537 0.0000 0.0000 52242.8567 -109870.8320 300.2404 -162113.6888 -109499.6076 298.5752 -6.3853 16.1683 761688.6568 -10.1847 -10.2823 PRESSURE: 2121000 -40.7244 221.035 -76.1806 221.034 -73.2127 -128.832 -76.1813 -128.832 -327.117 GPRESSURE: 2121000 -80.2047 149.777 -48.493 160.05 -6.99796 -150.857 -29.5053 -184.012 -265.569 PRESSAVG: 2121000 57.695 -33.1818 15.2795 -33.1818 -13.6104 36.7985 15.2795 36.7984 7.08645 GPRESSAVG: 2121000 57.029 -31.2999 15.6709 -35.7372 -13.3068 35.6356 16.6144 35.4415 8.08285 TIMING: 2121000 CPU: 6778.48, 0.00314056/step Wall: 6778.48, 0.00314056/step, 2.51158 hours remaining, 233.035156 MB of memory in use. ENERGY: 2121000 4005.0372 20441.1780 14495.3087 232.6123 -203176.2889 2329.3465 0.0000 0.0000 51804.2299 -109868.5763 297.7196 -161672.8062 -109511.6138 298.7072 -147.0179 -117.5907 761424.9131 17.0570 17.2684 PRESSURE: 2121200 291.482 47.1246 105.929 47.1256 -139.039 -108.705 105.929 -108.704 -165.292 GPRESSURE: 2121200 234.658 -18.2847 86.5489 67.4314 -30.2011 -200.197 143.653 -61.5873 -128.704 PRESSAVG: 2121200 39.2658 -54.9034 -2.3451 -54.9034 -24.3064 -27.5619 -2.34513 -27.5618 -8.47569 GPRESSAVG: 2121200 39.7478 -54.8701 -2.05155 -53.5474 -24.4261 -28.2903 -3.56056 -25.6857 -9.38967 TIMING: 2121200 CPU: 6779.11, 0.00312946/step Wall: 6779.11, 0.00312946/step, 2.50253 hours remaining, 233.035156 MB of memory in use. ENERGY: 2121200 3991.2924 20363.2597 14527.4127 246.4227 -203395.0215 2266.7143 0.0000 0.0000 52111.5712 -109888.3485 299.4859 -161999.9197 -109526.8865 298.3048 -4.2831 25.2509 757856.8247 2.1612 1.9774 PRESSURE: 2121400 150.232 21.9278 59.6193 21.9274 -120.737 -119.202 59.6186 -119.203 -58.9403 GPRESSURE: 2121400 128.48 -84.2116 98.3537 71.8696 15.0749 -132.579 88.754 -32.1535 -93.8759 PRESSAVG: 2121400 68.4454 -47.6728 9.72465 -47.6727 -24.0079 -29.2646 9.72461 -29.2646 -16.6884 GPRESSAVG: 2121400 67.7731 -47.6217 10.8367 -48.3594 -23.3231 -29.195 8.63483 -27.9895 -16.5673 TIMING: 2121400 CPU: 6779.74, 0.00313286/step Wall: 6779.74, 0.00313286/step, 2.50507 hours remaining, 233.035156 MB of memory in use. ENERGY: 2121400 3886.5123 20512.0183 14467.3578 241.0545 -203581.1375 2563.2437 0.0000 0.0000 51989.0858 -109921.8651 298.7820 -161910.9509 -109550.5823 298.7636 -9.8149 16.5598 760368.4206 9.2497 9.2942 PRESSURE: 2121600 -134.023 -56.9152 61.8714 -56.9148 -107.408 -174.75 61.8711 -174.75 154.902 GPRESSURE: 2121600 -121.684 25.9679 81.7874 -52.2827 -54.0829 -192.879 104.665 -87.1565 166.655 PRESSAVG: 2121600 18.3223 -61.9201 17.8936 -61.92 -51.7391 -25.2636 17.8936 -25.2636 -8.11591 GPRESSAVG: 2121600 18.8679 -60.4208 16.9334 -61.7618 -52.1549 -24.1416 19.4918 -26.267 -8.60055 TIMING: 2121600 CPU: 6780.36, 0.00312876/step Wall: 6780.36, 0.00312876/step, 2.50162 hours remaining, 233.035156 MB of memory in use. ENERGY: 2121600 4078.2486 20439.9019 14405.9356 267.6309 -203590.0343 2691.7874 0.0000 0.0000 51979.1337 -109727.3962 298.7248 -161706.5299 -109370.9461 298.3256 -28.8434 -3.0373 759210.4988 -13.8442 -13.9625 PRESSURE: 2121800 219.137 4.58398 -44.4255 4.58321 32.6307 19.9627 -44.4252 19.9633 12.6421 GPRESSURE: 2121800 268.379 -136.542 -7.02091 -72.6983 -2.18228 13.503 28.5436 20.9672 90.3681 PRESSAVG: 2121800 24.4708 -63.1349 77.2447 -63.1349 -76.7767 -5.16953 77.2446 -5.16956 -3.45421 GPRESSAVG: 2121800 24.7704 -62.977 77.599 -63.3971 -77.8398 -7.03974 77.0639 -4.13179 -2.78028 TIMING: 2121800 CPU: 6780.99, 0.00313697/step Wall: 6780.99, 0.00313697/step, 2.50801 hours remaining, 233.035156 MB of memory in use. ENERGY: 2121800 3919.6003 20428.3039 14367.7626 243.6606 -203073.5671 2568.5273 0.0000 0.0000 51977.9846 -109567.7278 298.7182 -161545.7124 -109197.1100 299.2335 88.1368 118.8548 761414.3737 -18.5867 -18.6165 PRESSURE: 2122000 -64.3067 -77.2301 -158.808 -77.23 223.055 107.252 -158.808 107.251 111.329 GPRESSURE: 2122000 -73.3295 -103.946 -72.8686 -22.7951 338.543 66.0269 -118.541 197.318 100.757 PRESSAVG: 2122000 11.1664 -57.9804 -2.79123 -57.9804 -15.4518 -3.60172 -2.79114 -3.60181 -2.5673 GPRESSAVG: 2122000 10.3555 -57.6144 -2.613 -57.7127 -14.768 -2.12906 -1.61349 -4.16053 -2.40245 TIMING: 2122000 CPU: 6781.62, 0.00312872/step Wall: 6781.62, 0.00312872/step, 2.50124 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2122000 4008.8605 20554.5534 14415.6411 240.5983 -203391.0169 2525.7536 0.0000 0.0000 51994.5297 -109651.0804 298.8133 -161645.6100 -109283.8481 298.7239 90.0256 121.9900 759617.6857 -2.2842 -2.2717 PRESSURE: 2122200 -130.814 11.8808 -129.236 11.8807 -203.404 49.7611 -129.235 49.7614 190.841 GPRESSURE: 2122200 -101.675 58.4621 -186.276 48.027 -225.436 108.923 50.8063 22.5072 272.263 PRESSAVG: 2122200 -0.408825 -84.9393 34.0494 -84.9393 0.661977 5.26743 34.0494 5.26738 -9.17047 GPRESSAVG: 2122200 0.0289172 -83.9387 33.9177 -84.3057 0.926154 3.19492 33.6485 4.60765 -9.40703 TIMING: 2122200 CPU: 6782.24, 0.00312125/step Wall: 6782.24, 0.00312125/step, 2.49509 hours remaining, 233.035156 MB of memory in use. ENERGY: 2122200 3998.3386 20418.4320 14451.0038 239.6559 -203118.2015 2396.0643 0.0000 0.0000 51867.8337 -109746.8732 298.0852 -161614.7068 -109383.0787 298.5020 -47.7926 -18.2828 759843.1078 -2.9724 -2.8173 PRESSURE: 2122400 106.133 35.2107 21.4409 35.211 -131.385 120.195 21.4418 120.196 123.798 GPRESSURE: 2122400 191.691 31.7694 -9.43853 -36.5342 -188.222 130.676 39.1223 145.69 161.491 PRESSAVG: 2122400 27.8394 -63.9185 67.0951 -63.9184 27.759 -53.5148 67.0951 -53.5148 -11.773 GPRESSAVG: 2122400 27.9459 -66.4892 65.5348 -65.1474 28.4601 -52.8494 68.3315 -53.7241 -11.8799 TIMING: 2122400 CPU: 6782.87, 0.00313602/step Wall: 6782.87, 0.00313602/step, 2.50672 hours remaining, 233.375000 MB of memory in use. ENERGY: 2122400 4018.6444 20328.3406 14453.8155 251.5798 -203612.8191 2580.3540 0.0000 0.0000 52079.4966 -109900.5882 299.3016 -161980.0848 -109528.6600 298.8583 32.8486 54.9868 759040.9090 14.6085 14.8421 PRESSURE: 2122600 155.287 -40.485 -54.4376 -40.4854 -264.356 45.3555 -54.4368 45.3553 -36.8671 GPRESSURE: 2122600 226.909 -1.17666 -99.8673 -59.7606 -182.127 81.7475 -42.9115 58.6613 -112.967 PRESSAVG: 2122600 40.9339 -23.0355 15.7546 -23.0356 -17.4173 -7.38101 15.7546 -7.38096 17.2627 GPRESSAVG: 2122600 41.1973 -22.4429 15.2414 -22.9193 -17.6196 -8.0224 16.4885 -4.94274 17.485 TIMING: 2122600 CPU: 6783.49, 0.00313911/step Wall: 6783.49, 0.00313911/step, 2.50902 hours remaining, 233.375000 MB of memory in use. ENERGY: 2122600 3996.7608 20402.3333 14395.5264 251.8354 -203613.0073 2741.8756 0.0000 0.0000 51872.1443 -109952.5314 298.1099 -161824.6758 -109594.3899 298.7056 -48.6456 -22.7282 761187.1369 13.5931 13.6876 PRESSURE: 2122800 -121.198 -101.721 -40.9276 -101.721 -218.08 178.073 -40.928 178.073 268.928 GPRESSURE: 2122800 -153.064 -144.637 -92.7159 -57.4722 -109.554 265.085 44.6507 91.4971 307.927 PRESSAVG: 2122800 54.8975 -3.51712 28.9119 -3.5171 -83.0537 -7.71433 28.912 -7.71425 -7.53728 GPRESSAVG: 2122800 55.9682 -4.51858 31.6768 -2.58669 -82.8856 -6.29044 27.1482 -9.74845 -8.23759 TIMING: 2122800 CPU: 6784.12, 0.00314311/step Wall: 6784.12, 0.00314311/step, 2.51204 hours remaining, 233.375000 MB of memory in use. ENERGY: 2122800 4007.8130 20395.1524 14396.1938 247.0003 -203622.9202 2690.1436 0.0000 0.0000 51900.6848 -109985.9324 298.2739 -161886.6172 -109624.4596 298.4286 -23.4502 15.1030 760553.0950 -11.8978 -11.7183 PRESSURE: 2123000 270.878 -26.3273 -46.071 -26.3276 130.27 -169.401 -46.0714 -169.401 -87.9027 GPRESSURE: 2123000 258.894 -95.4936 -58.4762 -81.7504 125.34 -157.17 -90.082 -127.003 11.609 PRESSAVG: 2123000 97.4233 -32.7912 -39.4478 -32.7912 -90.5985 9.42036 -39.4478 9.42035 -26.5046 GPRESSAVG: 2123000 95.7787 -32.86 -40.7856 -32.9061 -89.1653 9.82582 -39.7843 9.05476 -26.6996 TIMING: 2123000 CPU: 6784.76, 0.0031626/step Wall: 6784.76, 0.0031626/step, 2.52745 hours remaining, 233.375000 MB of memory in use. ENERGY: 2123000 3955.1598 20534.3590 14391.7269 241.4582 -203431.2760 2608.5068 0.0000 0.0000 51757.1157 -109942.9496 297.4489 -161700.0653 -109585.7731 297.9708 104.4151 131.9477 760108.2387 -6.5600 -6.6954 PRESSURE: 2123200 -8.44092 -114.489 36.7498 -114.489 -346.921 26.1587 36.7512 26.16 432.887 GPRESSURE: 2123200 111.622 -89.3696 113.081 -109.767 -334.511 -0.882339 -61.1304 -4.86791 390.224 PRESSAVG: 2123200 89.5 -14.346 -13.2915 -14.3459 -67.0848 -53.5745 -13.2915 -53.5745 4.31791 GPRESSAVG: 2123200 92.3353 -13.8334 -12.7778 -14.5685 -69.6291 -52.5882 -13.2351 -53.139 4.35108 TIMING: 2123200 CPU: 6785.39, 0.00315305/step Wall: 6785.39, 0.00315305/step, 2.51964 hours remaining, 233.375000 MB of memory in use. ENERGY: 2123200 3965.9764 20299.2087 14422.4209 246.7501 -203406.8907 2454.7992 0.0000 0.0000 51929.1127 -110088.6226 298.4373 -162017.7353 -109724.9268 298.0996 25.8415 55.7783 760300.4076 8.9110 9.0191 PRESSURE: 2123400 234.612 -87.6185 -25.8629 -87.6181 -139.37 162.697 -25.8625 162.698 -381.852 GPRESSURE: 2123400 232.105 -6.44962 16.5509 -49.8432 -75.6611 152.444 -22.2447 26.6196 -351.033 PRESSAVG: 2123400 75.1634 -29.1718 22.1614 -29.1718 -103.206 15.4786 22.1614 15.4786 20.1971 GPRESSAVG: 2123400 73.161 -28.5146 21.4439 -28.9765 -102.709 17.1016 21.6635 14.0702 21.7123 TIMING: 2123400 CPU: 6786.01, 0.00313765/step Wall: 6786.01, 0.00313765/step, 2.50715 hours remaining, 233.375000 MB of memory in use. ENERGY: 2123400 3968.0830 20492.9120 14291.8187 244.0781 -203509.0755 2423.1803 0.0000 0.0000 52062.0271 -110026.9764 299.2012 -162089.0035 -109661.6006 298.4582 -95.5364 -64.8630 759783.4833 -2.6150 -2.6118 PRESSURE: 2123600 -1.25941 -140.084 37.1594 -140.085 97.4214 -85.9322 37.1586 -85.9325 169.847 GPRESSURE: 2123600 62.9438 -123.29 0.519804 -30.8791 89.1159 -37.1118 -39.3395 -35.8725 193.875 PRESSAVG: 2123600 43.4466 -62.8598 7.08308 -62.8597 -46.9568 -59.9675 7.08311 -59.9675 22.8264 GPRESSAVG: 2123600 44.095 -63.3196 5.94124 -63.2151 -46.8855 -62.8371 6.77992 -58.3984 22.0663 TIMING: 2123600 CPU: 6786.64, 0.0031385/step Wall: 6786.64, 0.0031385/step, 2.50767 hours remaining, 233.375000 MB of memory in use. ENERGY: 2123600 3992.3621 20555.4657 14404.8105 256.9040 -203277.7726 2473.5550 0.0000 0.0000 51884.0423 -109710.6330 298.1783 -161594.6752 -109358.1634 298.6867 88.6698 115.3117 758928.0638 6.4387 6.4253 PRESSURE: 2123800 -277.606 65.2128 25.8438 65.2128 -387.523 -107.952 25.8443 -107.951 -303.181 GPRESSURE: 2123800 -304.435 20.6615 35.1499 181.744 -244.518 -159.012 54.0534 -99.2854 -319.868 PRESSAVG: 2123800 76.5152 -9.77757 20.7204 -9.77756 -56.1899 -7.62829 20.7205 -7.6282 -22.7422 GPRESSAVG: 2123800 75.4749 -9.05242 20.7891 -9.42466 -55.7365 -6.70556 21.4223 -7.12884 -22.4876 TIMING: 2123800 CPU: 6787.27, 0.00313932/step Wall: 6787.27, 0.00313932/step, 2.50815 hours remaining, 233.375000 MB of memory in use. ENERGY: 2123800 4031.3157 20501.6485 14449.2812 263.5433 -202977.7492 2160.2517 0.0000 0.0000 51913.0536 -109658.6551 298.3450 -161571.7087 -109315.2428 299.1264 -322.7700 -289.6069 761320.5886 -0.8056 -0.9164 PRESSURE: 2124000 73.3194 -130.957 231.607 -130.956 -170.861 74.4665 231.607 74.4667 -121.132 GPRESSURE: 2124000 184.176 -129.28 193.133 -170.056 -224.714 57.1848 217.971 49.4852 -74.8302 PRESSAVG: 2124000 42.0631 -5.23727 68.582 -5.23729 -35.4788 -71.8735 68.582 -71.8735 3.85159 GPRESSAVG: 2124000 42.4872 -6.60841 69.6908 -6.66013 -36.8612 -71.2851 68.2577 -71.7758 4.62962 TIMING: 2124000 CPU: 6787.9, 0.00312747/step Wall: 6787.9, 0.00312747/step, 2.4985 hours remaining, 233.375000 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: 2124000 4018.5125 20399.4325 14419.5719 255.3176 -203497.2461 2432.4083 0.0000 0.0000 52431.4060 -109540.5974 301.3240 -161972.0033 -109189.1815 299.4922 -72.8911 -38.4560 760618.8085 3.4786 3.4185 PRESSURE: 2124200 -43.488 -26.6793 -130.925 -26.679 -139.198 32.0555 -130.925 32.0559 244.977 GPRESSURE: 2124200 -84.4348 -59.3955 -82.8342 -1.29845 -14.8111 83.8021 -142.739 84.7786 273.085 PRESSAVG: 2124200 10.8423 21.4687 20.7577 21.4687 -6.39213 -39.7247 20.7577 -39.7247 1.65331 GPRESSAVG: 2124200 10.2623 22.9843 21.0088 20.5686 -4.84545 -40.728 20.1725 -39.0765 1.13304 TIMING: 2124200 CPU: 6788.52, 0.00313545/step Wall: 6788.52, 0.00313545/step, 2.5047 hours remaining, 233.375000 MB of memory in use. ENERGY: 2124200 4048.9373 20514.8948 14367.3153 257.2266 -203057.3595 2432.5070 0.0000 0.0000 51918.1228 -109518.3557 298.3742 -161436.4785 -109167.9360 299.3009 20.7636 57.9464 760365.5162 2.0345 2.1833 LDB: ============= START OF LOAD BALANCING ============== 6800.94 LDB: ============== END OF LOAD BALANCING =============== 6800.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6800.95 LDB: ============= START OF LOAD BALANCING ============== 6801.26 LDB: Largest compute 7033 load 0.037168 is 19.0% of average load 0.195482 LDB: Average compute 0.004420 is 2.3% of average load 0.195482 LDB: TIME 6801.26 LOAD: AVG 0.195482 MAX 0.212994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.223 MB LDB: TIME 6801.26 LOAD: AVG 0.195482 MAX 0.212994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.426 MB LDB: TIME 6801.26 LOAD: AVG 0.195482 MAX 0.212994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.426 MB LDB: ============== END OF LOAD BALANCING =============== 6801.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6801.27 PRESSURE: 2124400 101.263 72.4967 188.533 72.4967 114.09 99.2075 188.533 99.2076 -413.566 GPRESSURE: 2124400 183.258 -42.8167 246.056 78.1787 72.6063 92.8631 201.586 157.533 -368.41 PRESSAVG: 2124400 16.4029 -34.5434 1.05905 -34.5434 22.4393 -8.82417 1.05904 -8.82416 17.6342 GPRESSAVG: 2124400 16.8842 -35.1137 1.28255 -32.0919 22.1904 -9.29853 1.98377 -10.0831 17.5389 TIMING: 2124400 CPU: 6789.16, 0.00321004/step Wall: 6789.16, 0.00321004/step, 2.56411 hours remaining, 232.593750 MB of memory in use. ENERGY: 2124400 3955.7315 20535.8731 14442.2599 246.4400 -203579.6739 2510.3125 0.0000 0.0000 51994.9166 -109894.1403 298.8155 -161889.0570 -109518.8177 299.4171 -66.0709 -37.5153 761179.8361 18.8255 18.8712 PRESSURE: 2124600 274.632 -87.3388 57.8869 -87.3388 -89.3986 24.6567 57.8864 24.6577 667.448 GPRESSURE: 2124600 237.255 -60.952 -18.3696 78.068 -21.3363 105.579 5.95329 -24.6489 720.635 PRESSAVG: 2124600 48.1419 -3.69465 16.0514 -3.69469 -31.1197 12.452 16.0514 12.4519 29.6872 GPRESSAVG: 2124600 49.0737 -2.77381 15.4807 -7.70375 -31.7779 14.2469 14.9538 13.2722 29.4279 TIMING: 2124600 CPU: 6789.79, 0.00314594/step Wall: 6789.79, 0.00314594/step, 2.51273 hours remaining, 232.792969 MB of memory in use. ENERGY: 2124600 3904.1042 20493.2965 14429.2323 260.5067 -203138.2148 2358.6503 0.0000 0.0000 51974.1673 -109718.2575 298.6963 -161692.4248 -109362.0820 298.6605 284.2270 312.1847 760441.3887 15.5698 15.5746 PRESSURE: 2124800 -334.936 -253.615 -40.824 -253.615 160.607 -36.1504 -40.8232 -36.1511 -233.674 GPRESSURE: 2124800 -241.671 -108.403 -23.5482 -256.207 134.88 -108.483 26.3908 18.1845 -205.328 PRESSAVG: 2124800 44.6144 1.67083 2.27456 1.67082 -71.0897 -21.452 2.27456 -21.4519 0.0881501 GPRESSAVG: 2124800 44.6228 0.610782 2.59385 3.67482 -71.4482 -23.0177 2.99483 -22.6107 0.693548 TIMING: 2124800 CPU: 6790.42, 0.00313477/step Wall: 6790.42, 0.00313477/step, 2.50364 hours remaining, 232.792969 MB of memory in use. ENERGY: 2124800 3996.6561 20277.4462 14442.5422 257.6244 -203094.5825 2065.3721 0.0000 0.0000 52140.1912 -109914.7502 299.6504 -162054.9414 -109542.5989 298.7332 -136.0007 -104.0395 760904.8292 -8.7957 -8.7106 PRESSURE: 2125000 -181.735 -15.1554 321.259 -15.1561 -98.8899 -60.4226 321.259 -60.4232 -73.6735 GPRESSURE: 2125000 -184.993 -1.51584 316.888 108.68 24.6215 -65.6272 326.523 -186.335 -116.743 PRESSAVG: 2125000 -1.64493 -32.4977 50.0574 -32.4978 -44.3004 -16.8088 50.0574 -16.8087 -0.342127 GPRESSAVG: 2125000 -1.93549 -33.6918 51.063 -32.6221 -43.3304 -16.179 49.6925 -17.5849 -1.19984 TIMING: 2125000 CPU: 6791.04, 0.00312248/step Wall: 6791.04, 0.00312248/step, 2.49364 hours remaining, 232.792969 MB of memory in use. ENERGY: 2125000 3932.1942 20454.1005 14477.4342 242.3417 -203426.7651 2357.2697 0.0000 0.0000 52013.7373 -109949.6874 298.9237 -161963.4247 -109596.5589 298.4157 -118.0996 -92.3714 758835.1803 -15.4292 -15.4886 PRESSURE: 2125200 4.72986 -174.966 -52.5649 -174.966 215.179 43.9694 -52.5651 43.9695 99.0374 GPRESSURE: 2125200 -29.837 -129.879 -83.4779 -178.485 215.441 43.7207 -124.45 150.004 213.795 PRESSAVG: 2125200 6.89684 -48.066 -29.7409 -48.066 20.8879 -18.7694 -29.7409 -18.7694 -2.99451 GPRESSAVG: 2125200 5.79023 -47.3533 -30.5313 -47.8275 20.5598 -17.4674 -30.8453 -19.494 -1.89178 TIMING: 2125200 CPU: 6791.67, 0.0031386/step Wall: 6791.67, 0.0031386/step, 2.50635 hours remaining, 232.792969 MB of memory in use. ENERGY: 2125200 3946.0919 20437.7341 14448.9519 261.1253 -203599.9227 2513.7126 0.0000 0.0000 52095.5689 -109896.7381 299.3940 -161992.3070 -109548.1604 298.9649 106.3154 133.1331 759002.7264 8.2634 8.1527 PRESSURE: 2125400 -151.565 -152.935 -74.5049 -152.935 -143.728 60.855 -74.5049 60.8556 291.656 GPRESSURE: 2125400 -60.4793 -104.84 -26.2336 -224.219 -163.616 78.9476 -102.023 89.2753 308.033 PRESSAVG: 2125400 -12.7115 -69.1532 -30.0957 -69.1533 -8.31053 -27.1459 -30.0958 -27.1459 3.00128 GPRESSAVG: 2125400 -12.214 -69.0405 -30.7137 -69.0927 -8.04903 -26.5692 -28.6584 -24.6442 1.94038 TIMING: 2125400 CPU: 6792.3, 0.00313636/step Wall: 6792.3, 0.00313636/step, 2.50438 hours remaining, 232.792969 MB of memory in use. ENERGY: 2125400 4013.3425 20523.9045 14440.7597 246.3354 -202817.4734 2162.2177 0.0000 0.0000 51644.6908 -109786.2227 296.8027 -161430.9136 -109424.0451 298.9773 -1.2124 27.9794 760915.7870 -6.0069 -6.1076 PRESSURE: 2125600 162.792 -233.736 259.18 -233.736 -139.885 20.8084 259.18 20.8079 201.027 GPRESSURE: 2125600 211.898 -207.686 277.924 -94.7214 -140.228 3.63616 273.398 41.7703 220.362 PRESSAVG: 2125600 51.8591 -58.8887 -17.2724 -58.8887 -24.1315 -40.0455 -17.2724 -40.0455 8.51421 GPRESSAVG: 2125600 51.5684 -57.9344 -16.6298 -58.6651 -24.0542 -41.2004 -18.6112 -39.5718 8.61369 TIMING: 2125600 CPU: 6792.93, 0.00312732/step Wall: 6792.93, 0.00312732/step, 2.49699 hours remaining, 232.792969 MB of memory in use. ENERGY: 2125600 4001.6452 20579.0602 14457.5163 251.8021 -203505.2402 2415.9781 0.0000 0.0000 51979.0421 -109820.1962 298.7243 -161799.2383 -109463.4959 298.4308 74.6445 97.3442 760450.4724 12.0806 12.0426 PRESSURE: 2125800 171.1 -137.386 90.2024 -137.386 102.675 -118.267 90.2034 -118.267 -111.261 GPRESSURE: 2125800 258.764 -154.035 26.4072 -72.067 15.0815 -175.72 -28.4548 -41.9772 -30.7288 PRESSAVG: 2125800 34.88 -62.1545 -11.1272 -62.1545 -38.5034 8.67701 -11.1272 8.67703 13.7011 GPRESSAVG: 2125800 34.8503 -61.9852 -13.3601 -63.4561 -40.1762 8.19758 -10.4844 5.96062 15.7733 TIMING: 2125800 CPU: 6793.55, 0.00314028/step Wall: 6793.55, 0.00314028/step, 2.50716 hours remaining, 232.792969 MB of memory in use. ENERGY: 2125800 4002.9323 20420.3820 14427.1524 236.7531 -203411.3300 2559.6001 0.0000 0.0000 51989.6448 -109774.8653 298.7852 -161764.5101 -109415.4677 299.0607 54.1714 81.0390 758326.5437 3.3592 3.4825 PRESSURE: 2126000 -64.4153 -248.026 40.0961 -248.025 -65.4115 48.2944 40.0965 48.2937 -305.484 GPRESSURE: 2126000 -11.6583 -119.36 -27.1965 -163.101 -60.0682 49.9077 -121.14 72.659 -291.939 PRESSAVG: 2126000 27.2196 -88.634 1.21375 -88.634 -2.35765 1.00271 1.21375 1.00263 4.3472 GPRESSAVG: 2126000 28.0238 -89.5044 3.75883 -87.648 -1.06493 0.48577 0.748178 2.45759 1.91358 TIMING: 2126000 CPU: 6794.18, 0.00313869/step Wall: 6794.18, 0.00313869/step, 2.50572 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2126000 4062.3653 20394.8451 14486.2005 232.2675 -203065.2822 2240.6067 0.0000 0.0000 51943.4531 -109705.5441 298.5197 -161648.9972 -109341.3647 299.0985 -145.1035 -121.2217 760099.1496 9.7364 9.6242 PRESSURE: 2126200 428.085 -165.587 60.0115 -165.587 -288.171 159.431 60.0123 159.431 114.807 GPRESSURE: 2126200 354.803 -152.134 119.04 -79.1197 -191.177 164.979 -15.8364 117.345 171.339 PRESSAVG: 2126200 63.7009 -95.4178 39.0617 -95.4179 -1.81826 -20.3407 39.0617 -20.3408 26.5948 GPRESSAVG: 2126200 61.88 -95.5256 37.2627 -95.2124 -1.4474 -19.8328 40.3352 -21.3768 27.6844 TIMING: 2126200 CPU: 6794.81, 0.00314966/step Wall: 6794.81, 0.00314966/step, 2.5143 hours remaining, 232.792969 MB of memory in use. ENERGY: 2126200 3847.3134 20519.9922 14498.7182 268.6524 -203032.0140 2253.0277 0.0000 0.0000 51812.8053 -109831.5047 297.7689 -161644.3100 -109463.1344 298.7653 84.9070 111.6551 760161.4048 29.4925 29.3723 PRESSURE: 2126400 -247.914 -23.7768 -47.4621 -23.7771 -241.684 -72.5195 -47.4626 -72.5195 164.024 GPRESSURE: 2126400 -164.444 1.22317 -100.541 65.3786 -174.721 82.3055 -35.7826 -75.0033 78.7392 PRESSAVG: 2126400 37.0911 9.80452 20.4027 9.80451 -36.6864 -50.8322 20.4026 -50.8321 -36.4651 GPRESSAVG: 2126400 38.5131 10.0509 21.9192 8.94969 -37.6869 -50.3482 19.3352 -50.153 -36.2963 TIMING: 2126400 CPU: 6795.44, 0.00313486/step Wall: 6795.44, 0.00313486/step, 2.50231 hours remaining, 232.792969 MB of memory in use. ENERGY: 2126400 3896.4685 20463.3339 14357.3654 244.2195 -203014.4856 2315.2633 0.0000 0.0000 51850.3534 -109887.4815 297.9847 -161737.8349 -109526.9394 298.3707 -108.5246 -86.8086 760876.1018 -12.0201 -11.8233 PRESSURE: 2126600 -216.891 30.559 -203.97 30.5579 -32.395 -224.048 -203.969 -224.047 42.8331 GPRESSURE: 2126600 -153.427 56.8081 -178.966 -72.8754 -23.821 -157.028 -242.755 -191.897 45.4257 PRESSAVG: 2126600 -11.6054 -72.1334 -66.789 -72.1334 29.3234 -34.6328 -66.789 -34.6329 3.21507 GPRESSAVG: 2126600 -12.021 -71.4707 -67.8379 -71.2988 29.1571 -33.9796 -66.9549 -34.4266 3.91554 TIMING: 2126600 CPU: 6796.06, 0.00313396/step Wall: 6796.06, 0.00313396/step, 2.50142 hours remaining, 232.792969 MB of memory in use. ENERGY: 2126600 3907.9466 20445.6116 14376.2858 243.7004 -203721.5991 2599.4293 0.0000 0.0000 52148.9868 -109999.6385 299.7009 -162148.6253 -109637.7880 298.0544 -68.8177 -43.9409 759443.7287 6.9777 7.0172 PRESSURE: 2126800 173.404 150.115 131.021 150.114 -352.442 -0.255684 131.021 -0.255542 298.55 GPRESSURE: 2126800 114.213 145.98 151.914 241.24 -215.489 -9.89553 138.186 -99.3697 284.029 PRESSAVG: 2126800 -1.17946 -43.073 22.6799 -43.073 37.0376 -37.9792 22.6799 -37.9793 11.9803 GPRESSAVG: 2126800 -0.888392 -43.5495 22.9262 -43.7525 37.1448 -39.192 23.4088 -38.0221 11.232 TIMING: 2126800 CPU: 6796.69, 0.00313051/step Wall: 6796.69, 0.00313051/step, 2.49849 hours remaining, 232.792969 MB of memory in use. ENERGY: 2126800 3943.9616 20394.0863 14460.3115 247.6603 -203198.2940 2351.3012 0.0000 0.0000 51783.3748 -110017.5983 297.5998 -161800.9731 -109650.9510 298.0465 39.8371 60.9176 759100.2549 15.9461 15.8295 PRESSURE: 2127000 -279.433 16.7516 18.9385 16.7505 -233.432 194.779 18.9379 194.778 78.8877 GPRESSURE: 2127000 -223.367 67.1903 -28.7684 12.7152 -160.506 154.284 4.04129 165.498 40.1026 PRESSAVG: 2127000 21.6516 18.8816 90.3063 18.8816 -25.4114 -26.2534 90.3064 -26.2533 0.912841 GPRESSAVG: 2127000 21.3727 21.162 90.6241 18.1587 -24.4903 -27.5257 90.1331 -25.0355 0.258645 TIMING: 2127000 CPU: 6797.32, 0.00312979/step Wall: 6797.32, 0.00312979/step, 2.49774 hours remaining, 232.792969 MB of memory in use. ENERGY: 2127000 4024.6744 20434.9520 14479.2907 259.8443 -202989.2689 2408.1807 0.0000 0.0000 51514.9318 -109867.3950 296.0570 -161382.3268 -109511.5713 298.0262 -144.6592 -114.5904 760659.3638 -0.9490 -0.9530 PRESSURE: 2127200 255.536 11.1765 144.631 11.1763 -155.055 294.331 144.63 294.331 -68.9418 GPRESSURE: 2127200 213.147 38.3579 110.838 -13.041 -32.4157 208.207 118.399 231.917 -50.2514 PRESSAVG: 2127200 49.9915 -38.8325 47.7043 -38.8324 -23.9093 -1.80917 47.7042 -1.80912 -7.02076 GPRESSAVG: 2127200 49.4362 -39.503 47.5664 -39.3902 -24.0097 0.303436 47.6877 -4.76072 -6.37181 TIMING: 2127200 CPU: 6797.94, 0.00313643/step Wall: 6797.94, 0.00313643/step, 2.50287 hours remaining, 232.792969 MB of memory in use. ENERGY: 2127200 3973.1972 20382.0204 14462.6505 274.0057 -203488.6398 2590.0338 0.0000 0.0000 51860.3749 -109946.3573 298.0423 -161806.7322 -109580.6307 297.7228 10.5130 43.4932 759285.5098 6.3538 6.3516 PRESSURE: 2127400 329.278 24.5181 -115.268 24.5175 83.7658 -109.037 -115.268 -109.037 -265.299 GPRESSURE: 2127400 247.028 171.792 -152.072 -52.4844 119.323 -122.787 -112.235 49.0025 -133.449 PRESSAVG: 2127400 71.699 -77.3686 -16.6749 -77.3686 -3.41478 -10.2723 -16.675 -10.2723 39.6767 GPRESSAVG: 2127400 73.0445 -78.3907 -16.098 -77.9549 -4.25973 -11.2465 -14.8627 -8.91161 39.4514 TIMING: 2127400 CPU: 6798.57, 0.00315221/step Wall: 6798.57, 0.00315221/step, 2.51529 hours remaining, 232.792969 MB of memory in use. ENERGY: 2127400 3993.5040 20518.3843 14373.9190 258.6432 -203541.1105 2522.4112 0.0000 0.0000 51733.9030 -110140.3457 297.3155 -161874.2487 -109788.5130 297.8756 49.2482 77.6343 759749.3997 35.9870 36.0787 PRESSURE: 2127600 -29.4643 41.2093 31.4776 41.2091 -28.3462 262.705 31.4772 262.705 92.1009 GPRESSURE: 2127600 27.424 6.60218 43.975 57.4923 36.8137 264.261 -125.234 245.98 72.8696 PRESSAVG: 2127600 -33.3673 -30.7264 -33.7585 -30.7264 22.1049 2.91318 -33.7586 2.91318 3.10648 GPRESSAVG: 2127600 -34.4305 -32.0371 -33.3924 -28.9602 23.082 1.90356 -35.4019 3.40905 3.07393 TIMING: 2127600 CPU: 6799.2, 0.00313933/step Wall: 6799.2, 0.00313933/step, 2.50484 hours remaining, 232.792969 MB of memory in use. ENERGY: 2127600 4027.7953 20633.9653 14340.3795 238.2837 -203484.4282 2578.8454 0.0000 0.0000 51669.2257 -109995.9331 296.9438 -161665.1588 -109642.2802 298.2882 11.4301 45.7024 760392.2987 -2.7186 -2.7582 PRESSURE: 2127800 -150.811 -111.251 -278.333 -111.252 -100.529 246.447 -278.333 246.446 -412.842 GPRESSURE: 2127800 -143.646 -42.4854 -323.7 -37.2112 -44.4593 268.969 -45.6481 61.6962 -411.233 PRESSAVG: 2127800 -22.2434 -41.1931 35.3124 -41.1931 -5.16474 -4.53595 35.3123 -4.536 11.6976 GPRESSAVG: 2127800 -22.1959 -39.4757 34.4204 -41.5591 -5.28618 -3.36292 38.2083 -6.46455 11.8126 TIMING: 2127800 CPU: 6799.83, 0.00313276/step Wall: 6799.83, 0.00313277/step, 2.49942 hours remaining, 232.792969 MB of memory in use. ENERGY: 2127800 4051.2658 20350.4198 14507.4446 260.5526 -203588.0250 2390.3486 0.0000 0.0000 51941.0388 -110086.9548 298.5059 -162027.9936 -109729.3652 298.5667 -221.3940 -199.7793 758933.4858 -5.2369 -5.2232 PRESSURE: 2128000 -254.572 -146.876 -29.9811 -146.877 120.087 -35.4862 -29.9808 -35.4875 -143.411 GPRESSURE: 2128000 -183.655 -117.63 -5.60901 -94.8646 81.2578 -104.083 -84.2404 -4.73431 -89.101 PRESSAVG: 2128000 13.0908 -43.5199 -20.1337 -43.5199 -6.29818 -55.0018 -20.1337 -55.0019 7.11943 GPRESSAVG: 2128000 12.7896 -43.4733 -19.9779 -43.1253 -7.18031 -54.4523 -22.4119 -55.0584 8.37202 TIMING: 2128000 CPU: 6800.46, 0.00314251/step Wall: 6800.46, 0.00314251/step, 2.50703 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2128000 3974.4739 20343.4510 14472.4261 244.2290 -203439.8095 2613.6741 0.0000 0.0000 51975.2237 -109816.3316 298.7023 -161791.5553 -109453.9639 299.1703 -92.6320 -63.8329 761152.0115 4.6374 4.6604 PRESSURE: 2128200 292.483 -161.123 123.324 -161.123 155.268 39.2441 123.325 39.2435 80.8882 GPRESSURE: 2128200 418.344 -2.12844 45.3782 -142.45 144.517 10.244 167.576 25.8132 68.6433 PRESSAVG: 2128200 27.7977 -45.1543 4.32266 -45.1543 -55.4381 19.9955 4.3226 19.9954 -20.5792 GPRESSAVG: 2128200 28.1129 -46.0262 5.68411 -45.0985 -55.061 17.6048 3.84697 22.3729 -21.3157 TIMING: 2128200 CPU: 6801.09, 0.00314024/step Wall: 6801.09, 0.00314024/step, 2.50504 hours remaining, 232.792969 MB of memory in use. ENERGY: 2128200 3923.1094 20319.5517 14480.6127 240.7536 -203699.2462 2744.9207 0.0000 0.0000 51991.4116 -109998.8864 298.7954 -161990.2980 -109641.6643 298.8365 176.2129 210.5015 760286.9466 -16.0732 -16.0879 LDB: ============= START OF LOAD BALANCING ============== 6813.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6813.51 LDB: =============== DONE WITH MIGRATION ================ 6813.51 LDB: ============= START OF LOAD BALANCING ============== 6813.82 LDB: Largest compute 7032 load 0.035644 is 18.2% of average load 0.195477 LDB: Average compute 0.004414 is 2.3% of average load 0.195477 LDB: TIME 6813.82 LOAD: AVG 0.195477 MAX 0.215094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 6813.82 LOAD: AVG 0.195477 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 6813.82 LOAD: AVG 0.195477 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 6813.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6813.83 PRESSURE: 2128400 36.697 102.474 10.5454 102.474 6.14213 97.2948 10.5465 97.2952 46.5683 GPRESSURE: 2128400 105.304 105.873 -147.877 133.502 25.1036 118.994 -42.6652 -57.9083 60.1276 PRESSAVG: 2128400 128.212 -30.4219 -0.997921 -30.4219 -88.9763 -30.8603 -0.997975 -30.8602 -19.6841 GPRESSAVG: 2128400 128.563 -27.2891 -4.00467 -30.5274 -88.536 -27.5144 -1.44208 -32.8736 -20.4225 TIMING: 2128400 CPU: 6801.73, 0.00319798/step Wall: 6801.73, 0.00319798/step, 2.55092 hours remaining, 232.917969 MB of memory in use. ENERGY: 2128400 3929.4860 20471.2690 14493.3261 271.3003 -203599.0399 2454.9170 0.0000 0.0000 51875.9738 -110102.7677 298.1319 -161978.7415 -109737.3434 298.4357 29.8025 63.5116 758575.5801 6.5173 6.5348 PRESSURE: 2128600 -102.105 50.8849 -170.882 50.8851 -92.7053 33.5104 -170.882 33.5106 -127.571 GPRESSURE: 2128600 -49.1036 58.8647 -168.897 91.7305 -6.65667 11.6285 -267.88 18.5015 -189.929 PRESSAVG: 2128600 -11.8572 -61.5456 -22.3455 -61.5456 -23.4882 30.1362 -22.3456 30.1362 15.4343 GPRESSAVG: 2128600 -12.5554 -63.8501 -20.7608 -60.0536 -24.5269 28.2664 -21.5944 28.2571 17.1677 TIMING: 2128600 CPU: 6802.35, 0.00313442/step Wall: 6802.35, 0.00313442/step, 2.50005 hours remaining, 233.117188 MB of memory in use. ENERGY: 2128600 3989.0627 20300.9545 14541.2863 232.2741 -203152.7086 2176.8158 0.0000 0.0000 51879.3611 -110032.9542 298.1514 -161912.3153 -109669.8143 298.1577 -107.4605 -81.8963 759841.2841 -6.6370 -6.6382 PRESSURE: 2128800 269.202 -37.1843 44.6979 -37.1836 -44.3583 6.255 44.6976 6.25525 -322.113 GPRESSURE: 2128800 315.276 -81.9911 123.931 22.8081 78.0771 -66.4876 -36.6834 23.8137 -382.806 PRESSAVG: 2128800 25.2783 11.5745 -11.5716 11.5745 -43.6361 6.78643 -11.5716 6.78646 15.3048 GPRESSAVG: 2128800 25.9585 10.4344 -11.7136 12.1108 -42.4409 5.69261 -12.9331 10.051 13.5616 TIMING: 2128800 CPU: 6802.98, 0.00312176/step Wall: 6802.98, 0.00312176/step, 2.48977 hours remaining, 233.117188 MB of memory in use. ENERGY: 2128800 3937.3080 20333.7608 14468.2688 253.5538 -203470.1030 2484.8018 0.0000 0.0000 52186.0429 -109806.3668 299.9139 -161992.4097 -109443.4178 298.6424 -32.4229 3.5155 761875.6719 -1.0177 -0.9736 PRESSURE: 2129000 -405.194 37.9142 248.752 37.9145 -128.3 -217.231 248.751 -217.231 -732.501 GPRESSURE: 2129000 -362.872 16.1047 160.541 31.4949 -150.989 -131.628 285.243 -210.087 -673.667 PRESSAVG: 2129000 24.5376 2.5591 24.623 2.55917 14.9625 17.6378 24.623 17.6378 -24.4799 GPRESSAVG: 2129000 24.9319 2.15406 23.9533 2.21676 13.2894 19.2659 25.4532 17.2579 -23.8056 TIMING: 2129000 CPU: 6803.6, 0.00312932/step Wall: 6803.6, 0.00312932/step, 2.49563 hours remaining, 233.117188 MB of memory in use. ENERGY: 2129000 3990.3244 20349.6641 14460.9457 248.6462 -202808.8698 2056.7346 0.0000 0.0000 51847.8824 -109854.6724 297.9705 -161702.5548 -109499.1728 298.6786 -421.9984 -395.8427 762176.9756 5.0067 4.8052 PRESSURE: 2129200 -99.923 94.2308 62.7036 94.2316 -378.555 -132.854 62.7035 -132.855 317.557 GPRESSURE: 2129200 19.6487 123.182 39.1455 8.84038 -357.402 -25.1159 13.5785 -180.16 290.948 PRESSAVG: 2129200 -34.1322 -13.9259 -33.6189 -13.926 5.0367 -8.24579 -33.6188 -8.24579 6.69274 GPRESSAVG: 2129200 -34.5202 -11.4622 -33.3987 -14.6383 6.10076 -9.54974 -32.7858 -7.17127 6.21518 TIMING: 2129200 CPU: 6804.23, 0.00314115/step Wall: 6804.23, 0.00314115/step, 2.5049 hours remaining, 233.117188 MB of memory in use. ENERGY: 2129200 3997.8740 20383.4926 14481.2053 235.0375 -203404.3558 2631.6936 0.0000 0.0000 51940.3156 -109734.7372 298.5017 -161675.0528 -109371.9104 298.4261 -53.6403 -15.6017 760601.0016 -7.4676 -7.4014 PRESSURE: 2129400 -60.8603 116.897 241.134 116.898 91.2727 -117.892 241.135 -117.892 -297.03 GPRESSURE: 2129400 -73.7138 111.223 173.608 4.34689 156.15 -203.465 183.651 -52.5929 -245.425 PRESSAVG: 2129400 37.5097 24.9882 -52.9875 24.9882 -60.9945 5.82504 -52.9875 5.82507 -15.7297 GPRESSAVG: 2129400 36.7654 25.6491 -52.4481 23.246 -60.8436 6.26399 -53.8949 4.71213 -15.2122 TIMING: 2129400 CPU: 6804.86, 0.00314384/step Wall: 6804.86, 0.00314384/step, 2.50686 hours remaining, 233.117188 MB of memory in use. ENERGY: 2129400 4022.4265 20398.0026 14452.2959 261.9447 -203603.7587 2511.4015 0.0000 0.0000 52101.7605 -109855.9271 299.4295 -161957.6875 -109501.8336 298.5364 -88.8725 -54.3297 761144.9693 -13.0715 -13.0968 PRESSURE: 2129600 -46.9772 -254.334 -383.752 -254.333 -166.579 -84.9007 -383.753 -84.8989 -175.124 GPRESSURE: 2129600 -101.359 -225.999 -379.601 -141.711 27.564 -6.25907 -321.549 -214.253 -235.946 PRESSAVG: 2129600 5.84325 13.3508 -39.3512 13.3508 -22.3212 -17.9071 -39.3511 -17.907 -7.46283 GPRESSAVG: 2129600 5.55852 12.0845 -39.8052 13.7499 -22.5054 -16.1865 -40.2939 -18.8773 -7.48958 TIMING: 2129600 CPU: 6805.49, 0.00315178/step Wall: 6805.49, 0.00315178/step, 2.51302 hours remaining, 233.117188 MB of memory in use. ENERGY: 2129600 3944.9323 20799.5465 14502.6242 236.4525 -203447.6939 2350.1459 0.0000 0.0000 51855.2759 -109758.7166 298.0130 -161613.9925 -109411.2106 299.5799 -129.5601 -103.2469 761214.0870 -7.9803 -8.1455 PRESSURE: 2129800 255.577 225.149 67.1035 225.148 82.2551 -211.899 67.1021 -211.9 -150.535 GPRESSURE: 2129800 249.774 216.375 71.8622 198.403 131.806 -263.529 65.2963 -121.932 -110.562 PRESSAVG: 2129800 -12.9795 8.81846 -63.6911 8.81852 15.4023 14.0565 -63.6911 14.0565 -3.59436 GPRESSAVG: 2129800 -11.7357 8.59833 -62.191 9.50826 15.5413 11.0548 -63.2552 13.8556 -4.52894 TIMING: 2129800 CPU: 6806.12, 0.00314697/step Wall: 6806.12, 0.00314697/step, 2.50901 hours remaining, 233.117188 MB of memory in use. ENERGY: 2129800 3949.9057 20378.1280 14492.7307 248.2411 -203566.2676 2723.8433 0.0000 0.0000 51821.2446 -109952.1742 297.8174 -161773.4188 -109590.5053 298.7076 62.4322 90.3393 760595.3658 -0.3905 -0.2411 PRESSURE: 2130000 64.6421 -30.5593 -67.44 -30.5587 -485.789 -151.226 -67.4404 -151.226 -9.1974 GPRESSURE: 2130000 44.7185 -126.31 -57.0552 145.458 -380.918 -168.117 -84.8846 -302.834 18.3902 PRESSAVG: 2130000 43.5978 -7.34777 -27.475 -7.34782 -45.9058 10.5838 -27.4751 10.5839 -7.00737 GPRESSAVG: 2130000 43.0492 -7.75552 -27.2011 -5.91046 -46.4684 12.313 -28.416 11.4394 -6.44754 TIMING: 2130000 CPU: 6806.75, 0.0031426/step Wall: 6806.75, 0.0031426/step, 2.50535 hours remaining, 233.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2130000 4048.5121 20541.3092 14368.0862 248.9236 -203319.2268 2352.4035 0.0000 0.0000 51876.0081 -109883.9841 298.1321 -161759.9923 -109521.0424 298.0880 -143.4481 -105.9363 760319.3181 -3.1051 -3.2889 PRESSURE: 2130200 127.585 -160.244 175.004 -160.244 -79.274 100.493 175.004 100.492 156.87 GPRESSURE: 2130200 198.596 -202.212 189.265 -100.977 -25.0664 75.4404 60.754 157.42 131.541 PRESSAVG: 2130200 27.2086 -14.5569 -21.3558 -14.5569 -85.682 -27.395 -21.3559 -27.395 -3.52321 GPRESSAVG: 2130200 28.185 -14.895 -22.7308 -14.4825 -86.3587 -26.3483 -19.9389 -28.4382 -4.14803 TIMING: 2130200 CPU: 6807.38, 0.00316657/step Wall: 6807.38, 0.00316657/step, 2.52428 hours remaining, 233.117188 MB of memory in use. ENERGY: 2130200 3922.4519 20451.3734 14375.2981 254.2429 -203415.1188 2245.7804 0.0000 0.0000 52162.2170 -110003.7550 299.7770 -162165.9720 -109653.8429 298.3295 68.3939 101.6904 759643.3726 -20.6655 -20.7739 PRESSURE: 2130400 263.135 25.5321 -18.6409 25.5319 11.5376 145.381 -18.6404 145.38 -130.866 GPRESSURE: 2130400 349.207 -32.8148 -43.9829 -141.725 -49.5371 96.7971 -79.3009 124.358 -78.5037 PRESSAVG: 2130400 81.1613 -1.67966 6.5743 -1.67962 -50.8198 33.2213 6.57431 33.2213 -2.35754 GPRESSAVG: 2130400 80.8514 1.49714 8.11054 -4.17353 -50.631 34.1077 5.13342 34.9692 -2.09805 TIMING: 2130400 CPU: 6808.01, 0.00315639/step Wall: 6808.01, 0.00315639/step, 2.51599 hours remaining, 233.117188 MB of memory in use. ENERGY: 2130400 4035.9352 20547.8606 14441.9185 230.3052 -203650.7915 2534.7334 0.0000 0.0000 51955.9591 -109904.0796 298.5916 -161860.0387 -109552.3046 298.4291 47.9358 73.7221 759382.9367 9.3280 9.3741 PRESSURE: 2130600 -81.726 -199.105 -79.4999 -199.104 -88.0777 -62.2101 -79.5 -62.2099 -243.426 GPRESSURE: 2130600 2.02684 -151.16 -33.0435 -219.598 -102.232 -76.7623 -119.86 -61.5847 -208.925 PRESSAVG: 2130600 35.5455 -74.1776 4.13986 -74.1776 -6.34992 -6.64809 4.13987 -6.64808 -0.0630832 GPRESSAVG: 2130600 36.6889 -76.9932 0.75032 -73.292 -6.59756 -9.21647 4.8107 -7.35306 -1.14529 TIMING: 2130600 CPU: 6808.64, 0.00312701/step Wall: 6808.64, 0.00312701/step, 2.4924 hours remaining, 233.117188 MB of memory in use. ENERGY: 2130600 4119.9257 20428.7823 14537.3614 252.3209 -203544.8056 2469.5235 0.0000 0.0000 52062.8653 -109674.0266 299.2060 -161736.8918 -109328.6126 298.7051 -137.7432 -103.0432 759659.0726 9.7108 9.6487 PRESSURE: 2130800 -44.3377 -160.652 61.5718 -160.651 -104.901 165.962 61.5723 165.962 -197.103 GPRESSURE: 2130800 -12.6531 -109.244 -22.4513 -149.702 -130.328 176.729 115.702 162.981 -109.059 PRESSAVG: 2130800 20.2924 -46.431 18.2714 -46.431 -57.4331 36.9916 18.2715 36.9916 3.18346 GPRESSAVG: 2130800 19.8659 -46.7852 20.972 -47.0283 -57.7624 38.357 19.8344 36.1426 3.98546 TIMING: 2130800 CPU: 6809.26, 0.00312549/step Wall: 6809.26, 0.00312549/step, 2.49102 hours remaining, 233.117188 MB of memory in use. ENERGY: 2130800 4029.1582 20544.5051 14501.0358 251.1042 -203772.2800 2721.3941 0.0000 0.0000 52183.5649 -109541.5177 299.8997 -161725.0826 -109182.6020 299.1243 -115.4472 -84.0131 761358.7104 -11.3191 -11.3037 PRESSURE: 2131000 63.1037 -295.243 121.139 -295.243 157.947 72.2976 121.139 72.2975 109.459 GPRESSURE: 2131000 207.399 -190.311 124.751 -348.02 46.4753 106.546 -74.9682 33.177 151.536 PRESSAVG: 2131000 7.48228 -32.2584 -11.8059 -32.2585 -38.136 16.8266 -11.8058 16.8266 -1.45081 GPRESSAVG: 2131000 6.77747 -29.555 -12.0791 -32.3474 -37.8418 16.5092 -12.1108 17.6926 -0.535666 TIMING: 2131000 CPU: 6809.89, 0.00314072/step Wall: 6809.89, 0.00314072/step, 2.50298 hours remaining, 233.117188 MB of memory in use. ENERGY: 2131000 4087.8827 20575.9192 14474.6350 274.3208 -204182.8436 3038.5550 0.0000 0.0000 52070.5933 -109660.9375 299.2504 -161731.5308 -109309.2574 299.6417 110.1698 135.1367 760325.7882 -10.7015 -10.5333 PRESSURE: 2131200 -308.932 114.227 -251.892 114.227 -204.262 -15.1861 -251.892 -15.185 114.142 GPRESSURE: 2131200 -275.68 37.0125 -162.584 225.955 -109.294 38.8842 -331.887 15.9335 64.133 PRESSAVG: 2131200 -45.4345 10.2456 33.9094 10.2456 43.1727 20.3429 33.9093 20.3427 19.2861 GPRESSAVG: 2131200 -45.0666 7.23279 33.8109 12.0466 44.0004 20.2439 32.5792 21.1202 18.3221 TIMING: 2131200 CPU: 6810.52, 0.00314394/step Wall: 6810.52, 0.00314394/step, 2.50537 hours remaining, 233.117188 MB of memory in use. ENERGY: 2131200 3979.2293 20497.0755 14518.8659 254.6360 -203898.0866 2752.6302 0.0000 0.0000 52107.6217 -109788.0280 299.4632 -161895.6496 -109425.3699 299.1540 -133.0174 -106.9468 761519.9849 5.6748 5.7520 PRESSURE: 2131400 85.8292 -126.25 -87.0164 -126.249 188.224 60.7435 -87.0166 60.7438 -49.4749 GPRESSURE: 2131400 15.8251 -6.13699 -113.079 -203.086 283.753 28.7508 72.0325 133.976 -2.48766 PRESSAVG: 2131400 -27.2221 36.8905 5.30729 36.8905 -13.2548 -4.15136 5.30727 -4.15133 2.24125 GPRESSAVG: 2131400 -27.4296 39.2271 5.41181 36.7574 -13.3079 -3.93924 6.99774 -4.215 2.2808 TIMING: 2131400 CPU: 6811.15, 0.00315067/step Wall: 6811.15, 0.00315067/step, 2.51056 hours remaining, 233.117188 MB of memory in use. ENERGY: 2131400 4028.1285 20676.7840 14440.4376 241.1512 -204098.2044 2859.2843 0.0000 0.0000 52008.3760 -109844.0429 298.8929 -161852.4188 -109489.2195 299.2412 74.8595 99.0303 761401.1049 -12.7452 -12.8189 PRESSURE: 2131600 -120.491 22.1995 26.4076 22.1996 -212.996 -31.7771 26.4073 -31.7768 268.813 GPRESSURE: 2131600 -84.0776 76.6451 -88.8267 -64.5882 -163.465 -41.7949 147.649 -11.2038 266.652 PRESSAVG: 2131600 16.1093 52.4257 39.0182 52.4257 -27.3424 -2.36643 39.0182 -2.36637 12.4461 GPRESSAVG: 2131600 15.7773 51.4605 38.1659 51.2948 -28.0678 -3.28986 38.3733 -2.32189 12.9168 TIMING: 2131600 CPU: 6811.78, 0.00315412/step Wall: 6811.78, 0.00315412/step, 2.51313 hours remaining, 233.117188 MB of memory in use. ENERGY: 2131600 4021.6031 20581.7788 14438.7714 247.3575 -203887.0750 2929.2228 0.0000 0.0000 52027.1001 -109641.2413 299.0005 -161668.3414 -109289.1848 299.1827 -21.5583 6.3698 760060.5721 0.4043 0.2088 PRESSURE: 2131800 195.736 129.68 428.268 129.679 215.431 -264.262 428.268 -264.261 554.526 GPRESSURE: 2131800 182.707 61.4513 372.168 104.571 204.808 -223.87 261.689 -267.006 664.554 PRESSAVG: 2131800 30.6586 13.6896 -0.729927 13.6896 -30.4734 30.3985 -0.729916 30.3984 -3.0101 GPRESSAVG: 2131800 30.847 11.9804 0.0992393 13.0274 -29.7878 30.8747 -0.658187 31.3724 -3.8214 TIMING: 2131800 CPU: 6812.41, 0.00315236/step Wall: 6812.41, 0.00315236/step, 2.51156 hours remaining, 233.117188 MB of memory in use. ENERGY: 2131800 3852.3949 20535.1806 14372.8730 255.6158 -203402.7068 2446.6711 0.0000 0.0000 51984.4467 -109955.5248 298.7553 -161939.9715 -109593.7496 299.1803 321.8975 350.6897 760895.3711 -0.9416 -0.9207 PRESSURE: 2132000 102.843 -58.4931 60.7341 -58.4928 -34.3405 -5.27449 60.7339 -5.27517 40.8998 GPRESSURE: 2132000 85.8291 -27.2728 114.638 -11.5002 4.87132 26.8815 17.6738 -32.2323 115.156 PRESSAVG: 2132000 67.2056 -1.63151 -4.28338 -1.63156 -53.8475 -32.1285 -4.28337 -32.1283 -16.7129 GPRESSAVG: 2132000 67.4064 -0.0443832 -3.40584 -0.331406 -55.242 -31.0182 -4.9683 -34.5284 -16.0895 TIMING: 2132000 CPU: 6813.04, 0.00315726/step Wall: 6813.04, 0.00315726/step, 2.51528 hours remaining, 233.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2132000 3954.8635 20554.1260 14373.0142 254.4649 -203572.9399 2506.0935 0.0000 0.0000 52007.8651 -109922.5128 298.8899 -161930.3778 -109559.8741 298.8449 36.4676 68.6187 760111.1414 -1.1183 -1.3083 PRESSURE: 2132200 -123.196 202.767 -51.9179 202.766 -40.0189 -37.0237 -51.918 -37.0246 -500.511 GPRESSURE: 2132200 -205.383 177.793 74.8059 258.015 7.44416 -173.195 64.7797 -66.574 -370.981 PRESSAVG: 2132200 45.1394 16.9997 -21.3422 16.9997 -45.3832 15.4863 -21.3422 15.4863 0.0280739 GPRESSAVG: 2132200 45.4351 16.4442 -22.5718 16.2752 -45.0111 13.1736 -19.4697 17.9057 -0.67044 TIMING: 2132200 CPU: 6813.68, 0.00316796/step Wall: 6813.68, 0.00316796/step, 2.52363 hours remaining, 233.117188 MB of memory in use. ENERGY: 2132200 3990.8528 20542.3760 14494.5667 248.2831 -203840.0944 2583.6130 0.0000 0.0000 52040.0072 -109940.3958 299.0746 -161980.4029 -109575.6257 298.5628 -221.2419 -189.6399 761549.6493 -0.0719 -0.0822 LDB: ============= START OF LOAD BALANCING ============== 6826.1 LDB: ============== END OF LOAD BALANCING =============== 6826.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6826.1 LDB: ============= START OF LOAD BALANCING ============== 6826.42 LDB: Largest compute 7033 load 0.035689 is 18.3% of average load 0.195359 LDB: Average compute 0.004401 is 2.3% of average load 0.195359 LDB: TIME 6826.42 LOAD: AVG 0.195359 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 6826.42 LOAD: AVG 0.195359 MAX 0.212969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: TIME 6826.42 LOAD: AVG 0.195359 MAX 0.212969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: ============== END OF LOAD BALANCING =============== 6826.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6826.43 PRESSURE: 2132400 -41.3457 232.075 -158.099 232.075 65.8352 -113.59 -158.099 -113.59 -119.236 GPRESSURE: 2132400 35.331 243.148 -159.563 218.087 55.6664 -67.0003 -16.6626 -131.26 -85.8957 PRESSAVG: 2132400 18.1916 9.47943 -6.73081 9.4794 -8.65003 13.5091 -6.73074 13.5091 28.8927 GPRESSAVG: 2132400 18.4397 8.73678 -7.86102 10.5964 -8.57848 14.001 -6.38898 12.3068 28.5733 TIMING: 2132400 CPU: 6814.32, 0.00322264/step Wall: 6814.32, 0.00322264/step, 2.56701 hours remaining, 233.562500 MB of memory in use. ENERGY: 2132400 3917.7532 20385.8082 14465.2727 229.1419 -203700.2700 2693.7990 0.0000 0.0000 52241.9033 -109766.5918 300.2349 -162008.4951 -109408.3532 298.6236 -31.5822 1.7006 761402.5802 12.8114 12.8115 PRESSURE: 2132600 1.75645 0.194024 135.865 0.195213 -175.582 21.0352 135.865 21.0353 -159.996 GPRESSURE: 2132600 -48.7703 57.1487 111.906 62.961 -82.1355 173.89 197.765 -44.0503 -108.31 PRESSAVG: 2132600 -32.9781 -18.268 -49.5596 -18.2681 23.4048 16.2886 -49.5597 16.2885 -6.31357 GPRESSAVG: 2132600 -33.6442 -18.7958 -48.8015 -18.485 23.8934 17.3563 -50.5902 15.9213 -6.57227 TIMING: 2132600 CPU: 6814.95, 0.00315232/step Wall: 6814.95, 0.00315232/step, 2.51082 hours remaining, 233.765625 MB of memory in use. ENERGY: 2132600 4087.0680 20571.4529 14477.8389 249.3723 -203369.7720 2581.7211 0.0000 0.0000 51941.9251 -109460.3936 298.5110 -161402.3187 -109108.0870 299.0587 -111.2738 -79.7387 760194.0498 -5.2956 -5.4410 PRESSURE: 2132800 379.51 32.2989 43.6361 32.2986 -1.02379 83.9923 43.6359 83.9924 43.6545 GPRESSURE: 2132800 406.837 -15.8835 71.0823 32.626 80.1653 125.113 10.7157 -43.9034 41.6131 PRESSAVG: 2132800 30.9327 16.6547 -2.69333 16.6547 14.8552 44.3443 -2.69336 44.3442 16.6061 GPRESSAVG: 2132800 32.1629 17.3228 -1.10811 17.1304 15.0881 44.2129 -2.77685 45.2816 14.8117 TIMING: 2132800 CPU: 6815.58, 0.00315252/step Wall: 6815.58, 0.00315252/step, 2.5108 hours remaining, 233.820312 MB of memory in use. ENERGY: 2132800 4002.4730 20433.1114 14533.7632 243.6533 -203108.2201 2640.5099 0.0000 0.0000 51934.3212 -109320.3881 298.4673 -161254.7093 -108961.8217 299.8852 140.7135 176.2051 759150.8498 20.7980 20.6875 PRESSURE: 2133000 20.353 49.8026 -36.6957 49.8039 -182.2 197.281 -36.6959 197.281 -441.586 GPRESSURE: 2133000 -33.6814 48.7923 16.6846 -88.0851 -225.301 262.4 -61.0646 73.8069 -275.213 PRESSAVG: 2133000 37.0715 -35.0763 -49.9075 -35.0763 -8.96788 -10.3915 -49.9075 -10.3914 3.0418 GPRESSAVG: 2133000 36.3849 -35.3773 -50.4592 -37.6691 -9.69349 -10.5699 -48.9617 -11.3561 3.97292 TIMING: 2133000 CPU: 6816.21, 0.00314323/step Wall: 6816.21, 0.00314323/step, 2.50324 hours remaining, 233.820312 MB of memory in use. ENERGY: 2133000 3963.2138 20450.5966 14570.2103 231.3404 -203125.0093 2250.7216 0.0000 0.0000 52204.6390 -109454.2876 300.0208 -161658.9266 -109090.5263 299.6008 -201.1445 -178.0652 760842.6563 10.3818 10.2215 PRESSURE: 2133200 194.7 -77.6062 -153.435 -77.6065 -144.863 -12.9464 -153.434 -12.9466 336.292 GPRESSURE: 2133200 267.234 -125.99 -198.522 -61.7583 -158.337 -88.1882 -47.8213 33.9189 354.679 PRESSAVG: 2133200 61.6617 -52.7067 -32.7975 -52.7068 -94.1554 36.4338 -32.7975 36.4338 14.697 GPRESSAVG: 2133200 61.1706 -53.9972 -31.9454 -51.9374 -93.9472 35.5769 -31.9548 38.0574 14.3601 TIMING: 2133200 CPU: 6816.85, 0.00318605/step Wall: 6816.85, 0.00318605/step, 2.53716 hours remaining, 233.820312 MB of memory in use. ENERGY: 2133200 3992.1161 20507.3218 14534.4006 255.4278 -203396.8362 2501.2767 0.0000 0.0000 52082.2385 -109524.0548 299.3173 -161606.2933 -109175.8293 299.7123 128.7097 154.5256 758990.0067 -5.9322 -6.1388 PRESSURE: 2133400 -241.775 19.9716 316.622 19.9724 -243.595 69.2045 316.622 69.204 47.617 GPRESSURE: 2133400 -234.85 75.8308 378.959 -17.2849 -211.147 150.459 140.476 -16.4775 100.679 PRESSAVG: 2133400 -16.6021 -78.5635 71.5901 -78.5635 6.61655 16.1166 71.59 16.1167 15.0976 GPRESSAVG: 2133400 -17.0216 -76.7261 71.0592 -79.2912 7.61528 15.8527 67.7137 14.1352 14.7982 TIMING: 2133400 CPU: 6817.48, 0.00316328/step Wall: 6817.48, 0.00316328/step, 2.51885 hours remaining, 233.820312 MB of memory in use. ENERGY: 2133400 3934.0270 20459.1259 14641.9831 237.3280 -202984.7989 2303.5550 0.0000 0.0000 52053.1087 -109355.6711 299.1499 -161408.7799 -108996.1008 299.4652 -145.9177 -115.1060 762011.8796 1.7040 1.7973 PRESSURE: 2133600 71.4933 -3.44197 13.8326 -3.44094 -22.1198 2.51732 13.8322 2.51762 212.216 GPRESSURE: 2133600 129.066 -27.235 86.1845 89.0809 56.6627 21.2722 166.518 33.2181 158.846 PRESSAVG: 2133600 11.1815 -14.6446 45.2083 -14.6446 4.19847 18.8123 45.2083 18.8122 -11.092 GPRESSAVG: 2133600 12.0002 -16.9951 44.7647 -13.2322 2.85242 19.1241 46.8847 19.5178 -10.6019 TIMING: 2133600 CPU: 6818.11, 0.00315492/step Wall: 6818.11, 0.00315492/step, 2.51201 hours remaining, 233.820312 MB of memory in use. ENERGY: 2133600 4024.9041 20363.5326 14496.4915 231.0548 -203451.1602 2709.7357 0.0000 0.0000 52127.8583 -109497.5832 299.5795 -161625.4415 -109136.9487 299.1414 87.1965 114.8583 760750.4399 1.4293 1.4169 PRESSURE: 2133800 -222.706 -236.342 21.4827 -236.342 -81.3467 -291.312 21.4833 -291.312 78.5167 GPRESSURE: 2133800 -165.937 -185.062 24.8957 -93.7533 -77.3725 -278.16 161.289 -255.618 95.435 PRESSAVG: 2133800 19.8242 -12.1428 58.1849 -12.1428 -15.8624 -21.4829 58.1848 -21.483 1.69892 GPRESSAVG: 2133800 20.2901 -11.3246 58.0061 -12.4197 -15.6912 -22.6279 60.5727 -20.2014 1.42219 TIMING: 2133800 CPU: 6818.74, 0.00315476/step Wall: 6818.74, 0.00315476/step, 2.51171 hours remaining, 233.855469 MB of memory in use. ENERGY: 2133800 4002.3825 20665.7243 14496.7127 237.1340 -203352.4848 2530.2220 0.0000 0.0000 51993.2042 -109427.1051 298.8057 -161420.3093 -109073.8990 299.8182 -75.1787 -49.2915 762286.3898 1.8869 2.0070 PRESSURE: 2134000 25.0928 -91.9009 84.4774 -91.9011 -162.236 -126.622 84.4769 -126.622 -9.70504 GPRESSURE: 2134000 43.0882 -60.4016 25.9196 -168.545 -94.8069 -132.323 142.546 -112.254 4.42793 PRESSAVG: 2134000 25.9408 -37.0314 56.484 -37.0314 -18.3655 -7.01303 56.4841 -7.01313 4.19512 GPRESSAVG: 2134000 25.5086 -35.4776 56.5418 -38.6211 -18.0529 -5.52231 55.9927 -9.34707 4.03512 TIMING: 2134000 CPU: 6819.37, 0.00315371/step Wall: 6819.37, 0.00315371/step, 2.5107 hours remaining, 233.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2134000 3961.9823 20567.6628 14511.2172 250.4209 -203925.9618 2881.9401 0.0000 0.0000 52229.6753 -109523.0631 300.1647 -161752.7384 -109171.6493 299.5958 -48.9494 -15.7636 759064.3002 3.9235 3.8303 PRESSURE: 2134200 2.13436 -184.305 141.333 -184.305 -87.226 -14.316 141.333 -14.3161 639.238 GPRESSURE: 2134200 -49.4436 -259.992 259.742 -115.286 47.2464 8.63415 145.543 -193.082 645.631 PRESSAVG: 2134200 -9.40506 -59.6212 55.9689 -59.6212 26.5641 -25.6336 55.9688 -25.6336 24.2907 GPRESSAVG: 2134200 -9.81644 -59.3994 55.6308 -58.5737 26.5122 -24.5284 52.6953 -25.1656 24.4419 TIMING: 2134200 CPU: 6820, 0.00314648/step Wall: 6820, 0.00314648/step, 2.50477 hours remaining, 233.855469 MB of memory in use. ENERGY: 2134200 3912.3210 20344.6096 14496.6106 258.1624 -203136.1488 2384.2112 0.0000 0.0000 52110.0398 -109630.1942 299.4771 -161740.2340 -109285.8697 299.1541 184.7155 214.4780 760313.7003 13.8166 13.7126 PRESSURE: 2134400 -156.688 103.296 -103.03 103.296 -103.504 45.2554 -103.03 45.2566 -235.546 GPRESSURE: 2134400 26.4632 0.685045 -125.656 105.788 -127.603 60.7737 -164.784 -4.81624 -292.85 PRESSAVG: 2134400 -2.3087 -29.3472 9.35399 -29.3472 -18.4234 21.384 9.35402 21.3839 21.1645 GPRESSAVG: 2134400 -2.81784 -29.2519 7.49637 -29.3886 -18.1876 19.0666 11.1034 22.5284 21.4175 TIMING: 2134400 CPU: 6820.63, 0.00314335/step Wall: 6820.63, 0.00314335/step, 2.5021 hours remaining, 233.855469 MB of memory in use. ENERGY: 2134400 3914.8065 20487.2305 14498.2245 282.1262 -203347.0171 2676.2551 0.0000 0.0000 51761.1198 -109727.2546 297.4719 -161488.3744 -109366.5018 298.8369 -165.2464 -131.3299 761651.1987 0.1441 0.1374 PRESSURE: 2134600 142.897 -66.1489 -22.6214 -66.1485 -212.547 -105.343 -22.6211 -105.344 -496.419 GPRESSURE: 2134600 144.222 -158.475 6.09046 -205.315 -170.433 -137.458 58.5782 -137.029 -452.035 PRESSAVG: 2134600 20.8265 -61.4123 -6.8007 -61.4122 -20.5348 32.345 -6.80069 32.345 32.386 GPRESSAVG: 2134600 20.9041 -60.4356 -4.44533 -62.5631 -21.161 31.685 -5.12777 33.4865 32.5435 TIMING: 2134600 CPU: 6821.26, 0.00314478/step Wall: 6821.26, 0.00314478/step, 2.50307 hours remaining, 233.855469 MB of memory in use. ENERGY: 2134600 3983.2588 20470.7593 14452.3264 228.0349 -203656.4800 2700.9220 0.0000 0.0000 51979.8793 -109841.2995 298.7291 -161821.1787 -109478.5334 298.6181 -188.6898 -159.4156 760081.8073 10.8926 10.7622 PRESSURE: 2134800 25.8588 100.723 30.4313 100.723 -371.942 47.6266 30.4315 47.6256 294.049 GPRESSURE: 2134800 53.2279 103.032 69.789 76.8122 -366.43 -30.3458 86.0516 88.5653 345.334 PRESSAVG: 2134800 21.8215 -66.0301 1.7908 -66.03 37.8086 17.1592 1.79078 17.1591 -3.56013 GPRESSAVG: 2134800 22.7643 -68.1793 2.70357 -66.5423 38.5948 19.0533 1.15929 16.4275 -4.56903 TIMING: 2134800 CPU: 6821.88, 0.00312499/step Wall: 6821.88, 0.00312499/step, 2.48715 hours remaining, 233.855469 MB of memory in use. ENERGY: 2134800 3982.1965 20605.9831 14436.3134 273.0806 -203507.1383 2538.4014 0.0000 0.0000 52085.6980 -109585.4653 299.3372 -161671.1633 -109220.7744 299.2344 -17.3449 10.7107 758178.5823 18.6900 18.9300 PRESSURE: 2135000 -90.411 -84.9261 95.2588 -84.9255 -65.051 -7.2836 95.259 -7.28256 -112.364 GPRESSURE: 2135000 -77.8478 110.854 -38.5435 -133.745 17.0375 38.3704 143.466 -15.621 -118.154 PRESSAVG: 2135000 0.921669 -63.1684 -10.5036 -63.1684 -5.46508 20.1974 -10.5036 20.1974 -6.43356 GPRESSAVG: 2135000 0.428263 -62.7582 -11.6291 -62.2026 -5.88677 20.5256 -11.2616 18.8721 -4.662 TIMING: 2135000 CPU: 6822.52, 0.00316726/step Wall: 6822.52, 0.00316727/step, 2.52062 hours remaining, 233.855469 MB of memory in use. ENERGY: 2135000 3954.5005 20544.3948 14432.8638 246.8358 -203028.1382 2452.3336 0.0000 0.0000 51961.3937 -109435.8159 298.6228 -161397.2096 -109064.7441 299.5466 -89.2752 -59.6547 759679.6367 -3.6590 -3.3735 PRESSURE: 2135200 264.934 -29.2772 125.082 -29.2775 -248.581 61.536 125.082 61.5371 384.734 GPRESSURE: 2135200 232.872 -119.423 149.138 -4.61062 -62.9872 69.4171 18.9823 -10.6461 317.126 PRESSAVG: 2135200 42.6257 -64.3794 -25.4024 -64.3795 -26.0593 -2.83961 -25.4024 -2.83962 24.2295 GPRESSAVG: 2135200 43.0301 -63.6423 -24.928 -64.3605 -25.2447 -2.65587 -25.4745 -3.53772 23.0177 TIMING: 2135200 CPU: 6823.15, 0.00316184/step Wall: 6823.15, 0.00316184/step, 2.51612 hours remaining, 233.855469 MB of memory in use. ENERGY: 2135200 3985.1594 20394.1275 14492.7810 241.3866 -203434.2620 2727.1656 0.0000 0.0000 52052.7970 -109540.8450 299.1481 -161593.6420 -109183.2480 299.4157 133.6954 162.3370 758123.2217 13.5987 13.6010 PRESSURE: 2135400 -204.23 -315.384 29.0797 -315.383 -296.909 184.838 29.0795 184.838 443.542 GPRESSURE: 2135400 -173.624 -184.499 64.513 -320.468 -209.165 172.839 70.2635 167.744 425.753 PRESSAVG: 2135400 18.9362 -26.8625 -21.9853 -26.8625 11.2674 28.5282 -21.9853 28.5282 6.50429 GPRESSAVG: 2135400 19.2482 -27.6342 -22.2873 -27.7308 10.7676 26.9029 -23.1175 31.5772 7.10767 TIMING: 2135400 CPU: 6823.79, 0.00317357/step Wall: 6823.79, 0.00317357/step, 2.52528 hours remaining, 233.855469 MB of memory in use. ENERGY: 2135400 3994.8947 20443.9916 14500.8768 238.4584 -203326.2615 2567.0142 0.0000 0.0000 51879.2249 -109701.8010 298.1506 -161581.0259 -109338.3124 299.1280 -19.1990 14.3212 760295.9457 12.2360 12.3745 PRESSURE: 2135600 -48.2498 -189.396 -184.659 -189.395 24.976 -113.642 -184.66 -113.642 -156.551 GPRESSURE: 2135600 29.1567 -92.5134 -200.49 -150.428 49.4521 -75.9096 -183.653 -101.501 -174.433 PRESSAVG: 2135600 -32.797 -68.8699 -17.3517 -68.8699 2.32749 53.3447 -17.3517 53.3448 -9.66458 GPRESSAVG: 2135600 -32.0292 -69.5207 -18.5279 -65.6114 1.64178 55.1978 -15.7928 52.6693 -9.81388 TIMING: 2135600 CPU: 6824.42, 0.00318407/step Wall: 6824.42, 0.00318407/step, 2.53346 hours remaining, 233.855469 MB of memory in use. ENERGY: 2135600 3986.8074 20482.8052 14530.6334 236.3149 -203442.3424 2425.5474 0.0000 0.0000 52393.5378 -109386.6963 301.1064 -161780.2341 -109010.4391 299.0572 -59.9415 -31.9415 759767.1393 -13.3780 -13.4004 PRESSURE: 2135800 -252.389 160.663 -131.696 160.663 -108.131 120.576 -131.696 120.576 -119.479 GPRESSURE: 2135800 -242.28 36.4513 -32.4731 159.609 -95.2431 145.457 -244.693 121.812 -58.5549 PRESSAVG: 2135800 -3.92121 -38.479 -47.8137 -38.479 23.8933 24.7931 -47.8138 24.7931 16.3553 GPRESSAVG: 2135800 -4.1786 -37.5505 -46.1539 -41.2787 23.5985 24.2975 -48.5326 23.8838 16.7084 TIMING: 2135800 CPU: 6825.05, 0.00316196/step Wall: 6825.05, 0.00316196/step, 2.51569 hours remaining, 233.855469 MB of memory in use. ENERGY: 2135800 3961.7869 20691.2134 14399.8362 244.0862 -203067.3445 2312.5446 0.0000 0.0000 52143.1269 -109314.7504 299.6673 -161457.8773 -108946.8631 299.5641 -159.9996 -132.0261 761144.9381 12.1091 12.0428 PRESSURE: 2136000 -93.3035 -151.596 1.40731 -151.595 154.957 323.878 1.40783 323.879 268.285 GPRESSURE: 2136000 11.2315 -66.2963 -120.984 -164.715 200.255 291.598 27.3867 276.466 184.839 PRESSAVG: 2136000 7.18608 -83.8185 -39.566 -83.8185 11.0517 9.52617 -39.5659 9.52612 2.69578 GPRESSAVG: 2136000 5.50196 -83.0298 -41.0455 -83.2481 13.9301 9.09369 -37.2244 9.91801 1.63177 TIMING: 2136000 CPU: 6825.68, 0.00314788/step Wall: 6825.68, 0.00314788/step, 2.50432 hours remaining, 233.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2136000 3944.5938 20554.4491 14446.0172 233.8572 -203058.4706 2404.2697 0.0000 0.0000 52116.1284 -109359.1552 299.5121 -161475.2836 -108999.9017 300.1370 109.9795 132.1084 760866.4000 6.9778 7.0213 PRESSURE: 2136200 -141.711 -119.934 134.435 -119.934 -14.1252 -277.711 134.434 -277.712 -409.288 GPRESSURE: 2136200 -35.8144 -145.832 47.2138 35.2685 -55.3876 -251.266 172.233 -73.9742 -405.183 PRESSAVG: 2136200 19.7966 -8.01433 14.578 -8.01427 14.2852 6.41176 14.578 6.41184 9.19782 GPRESSAVG: 2136200 20.396 -8.87703 15.1852 -6.59431 11.9596 5.1491 13.3314 5.72883 10.7243 TIMING: 2136200 CPU: 6826.31, 0.00315292/step Wall: 6826.31, 0.00315292/step, 2.50815 hours remaining, 233.855469 MB of memory in use. ENERGY: 2136200 3986.9905 20752.7091 14465.1780 250.5916 -203307.0997 2571.6729 0.0000 0.0000 51800.6431 -109479.3144 297.6990 -161279.9575 -109126.4686 300.1352 -188.3749 -165.4616 761003.4760 14.4265 14.3600 LDB: ============= START OF LOAD BALANCING ============== 6838.74 LDB: ============== END OF LOAD BALANCING =============== 6838.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6838.74 LDB: ============= START OF LOAD BALANCING ============== 6839.05 LDB: Largest compute 7032 load 0.037218 is 19.0% of average load 0.195407 LDB: Average compute 0.004412 is 2.3% of average load 0.195407 LDB: TIME 6839.06 LOAD: AVG 0.195407 MAX 0.213169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.402 MB LDB: TIME 6839.06 LOAD: AVG 0.195407 MAX 0.213169 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: TIME 6839.06 LOAD: AVG 0.195407 MAX 0.213169 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: ============== END OF LOAD BALANCING =============== 6839.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6839.07 PRESSURE: 2136400 -181.33 -0.757348 153.017 -0.757741 -93.6436 -330.911 153.017 -330.91 14.5714 GPRESSURE: 2136400 -181.279 -28.4355 156.065 -14.5967 -40.305 -228.357 122.41 -180.78 67.5511 PRESSAVG: 2136400 11.3662 -55.792 -5.35425 -55.792 -50.2754 -8.69247 -5.35423 -8.69243 17.7028 GPRESSAVG: 2136400 10.9767 -56.8914 -4.93188 -57.5432 -50.7006 -6.75662 -4.22644 -7.64778 18.4421 TIMING: 2136400 CPU: 6826.96, 0.00322667/step Wall: 6826.96, 0.00322667/step, 2.56664 hours remaining, 234.902344 MB of memory in use. ENERGY: 2136400 3996.5365 20413.9501 14489.3879 251.8638 -203101.3204 2439.7844 0.0000 0.0000 52138.6012 -109371.1965 299.6413 -161509.7977 -109005.9948 299.4293 -86.8009 -51.3444 761210.4037 -7.0688 -7.0939 PRESSURE: 2136600 402.123 -63.7536 -75.906 -63.7541 -117.411 151.723 -75.9055 151.725 226.591 GPRESSURE: 2136600 507.14 25.1963 -79.3189 49.5121 -84.9908 152.556 -105.044 211.112 161.369 PRESSAVG: 2136600 1.12381 -32.9736 -1.51863 -32.9736 -31.5972 62.6111 -1.51861 62.611 -3.91508 GPRESSAVG: 2136600 1.79036 -33.8397 -1.00433 -30.485 -31.8295 63.4137 -3.24969 61.0908 -4.03561 TIMING: 2136600 CPU: 6827.59, 0.00314564/step Wall: 6827.59, 0.00314564/step, 2.50201 hours remaining, 234.902344 MB of memory in use. ENERGY: 2136600 3983.7934 20607.3922 14577.7352 238.2329 -203674.1521 2876.1862 0.0000 0.0000 52108.4037 -109282.4084 299.4677 -161390.8122 -108922.3796 300.3189 170.4345 194.5060 760207.5229 -11.4628 -11.3583 PRESSURE: 2136800 261.046 -114.411 36.6784 -114.41 140.6 142.241 36.6786 142.241 -143.482 GPRESSURE: 2136800 173.942 -125.02 83.9566 -104.51 215.468 149.124 -4.62637 103.515 -48.6155 PRESSAVG: 2136800 24.9755 -7.68523 -10.3985 -7.68521 18.1795 13.0595 -10.3985 13.0595 31.7904 GPRESSAVG: 2136800 24.5133 -5.46262 -10.4262 -10.9769 20.378 11.5561 -10.545 13.214 30.3546 TIMING: 2136800 CPU: 6828.22, 0.00314283/step Wall: 6828.22, 0.00314283/step, 2.4996 hours remaining, 234.902344 MB of memory in use. ENERGY: 2136800 3988.9323 20413.6341 14589.9909 251.1704 -203310.7261 2478.8257 0.0000 0.0000 52299.5163 -109288.6564 300.5660 -161588.1727 -108922.9922 300.2407 86.0546 113.5982 760534.8657 24.9818 25.0820 PRESSURE: 2137000 -287.984 145.9 -247.947 145.9 -74.0207 67.398 -247.947 67.3988 40.1423 GPRESSURE: 2137000 -226.291 139.041 -229.97 114.969 -57.9402 163.13 -238.906 -31.0411 35.539 PRESSAVG: 2137000 -12.6424 3.51476 -2.46079 3.51474 15.3819 -48.2707 -2.46075 -48.2706 -5.73513 GPRESSAVG: 2137000 -12.9708 4.02481 -1.87163 4.77836 14.8804 -46.6267 -2.43323 -47.6539 -5.3075 TIMING: 2137000 CPU: 6828.85, 0.00313742/step Wall: 6828.85, 0.00313742/step, 2.49512 hours remaining, 234.902344 MB of memory in use. ENERGY: 2137000 4023.2521 20631.0462 14501.9235 252.0591 -203296.4217 2446.0067 0.0000 0.0000 52097.4761 -109344.6580 299.4049 -161442.1341 -108985.0426 299.7465 -107.2874 -82.8973 761619.1705 -0.9985 -1.1326 PRESSURE: 2137200 84.0785 -15.5059 325.371 -15.5065 180.291 50.1947 325.372 50.1949 355.974 GPRESSURE: 2137200 129.684 12.6311 293.056 100.413 231.336 53.3918 159.867 -76.7212 361.386 PRESSAVG: 2137200 4.83607 -32.6651 14.9398 -32.6652 34.9273 43.7651 14.9398 43.7651 28.76 GPRESSAVG: 2137200 5.67933 -34.7316 14.0971 -32.4108 33.096 41.563 16.3134 41.7442 30.088 TIMING: 2137200 CPU: 6829.48, 0.00315743/step Wall: 6829.48, 0.00315743/step, 2.51086 hours remaining, 234.902344 MB of memory in use. ENERGY: 2137200 4004.3065 20588.1714 14589.3395 234.7858 -203531.9159 2775.8560 0.0000 0.0000 52115.3581 -109224.0986 299.5077 -161339.4567 -108861.2252 300.0140 206.7812 240.8020 760853.8378 22.8411 22.9545 PRESSURE: 2137400 85.9866 158.249 121.107 158.249 133.855 -156.865 121.108 -156.865 352.538 GPRESSURE: 2137400 191.243 68.8385 121.879 112.341 75.5602 -164.611 115.876 -155.736 370.828 PRESSAVG: 2137400 11.8533 -37.1642 -15.127 -37.1642 16.2038 -12.0783 -15.127 -12.0783 13.1798 GPRESSAVG: 2137400 12.3545 -38.1584 -13.4462 -37.2545 16.3428 -12.8089 -16.7002 -9.75342 12.2379 TIMING: 2137400 CPU: 6830.11, 0.00315837/step Wall: 6830.11, 0.00315837/step, 2.51143 hours remaining, 234.902344 MB of memory in use. ENERGY: 2137400 3989.0053 20585.5392 14564.0687 249.3619 -203746.7713 2945.5917 0.0000 0.0000 52267.8091 -109145.3955 300.3838 -161413.2046 -108775.3993 300.2278 190.7931 212.5437 761434.3335 13.7456 13.6450 PRESSURE: 2137600 -127.473 126.977 -77.8715 126.977 -63.3294 178.478 -77.8719 178.479 79.9216 GPRESSURE: 2137600 -129.042 158.467 -140.147 221.937 -56.9522 268.009 -217.512 40.7444 154.418 PRESSAVG: 2137600 9.14641 -30.8868 -19.1794 -30.8868 -28.8074 -2.91505 -19.1794 -2.915 7.1841 GPRESSAVG: 2137600 8.77083 -28.7866 -21.3341 -30.8389 -28.4684 -0.916763 -18.9264 -2.57936 6.75635 TIMING: 2137600 CPU: 6830.74, 0.00314297/step Wall: 6830.74, 0.00314297/step, 2.49901 hours remaining, 234.902344 MB of memory in use. ENERGY: 2137600 3914.6436 20557.9762 14453.6329 246.6123 -203337.5013 2775.2236 0.0000 0.0000 52082.6048 -109306.8079 299.3194 -161389.4127 -108940.4550 299.9450 -36.9603 -10.5253 762639.1103 -4.1590 -4.3137 PRESSURE: 2137800 104.242 -44.5916 42.3603 -44.5919 -240.366 -68.6809 42.3598 -68.6798 257.896 GPRESSURE: 2137800 68.7874 -165.907 90.4267 31.9618 -192.028 -84.0985 80.406 -188.977 321.705 PRESSAVG: 2137800 28.7123 -15.7688 -78.1196 -15.7688 -36.0915 8.50361 -78.1196 8.50349 6.73447 GPRESSAVG: 2137800 27.8235 -16.2593 -78.3626 -15.9375 -35.7903 8.6071 -75.6468 6.07986 7.5714 TIMING: 2137800 CPU: 6831.36, 0.00313877/step Wall: 6831.36, 0.00313877/step, 2.4955 hours remaining, 234.902344 MB of memory in use. ENERGY: 2137800 3998.1853 20577.0383 14487.4932 231.2374 -203377.6293 2701.0833 0.0000 0.0000 52050.8541 -109331.7377 299.1370 -161382.5918 -108975.0334 299.5739 40.5908 66.1548 761330.3193 -0.2149 -0.1318 PRESSURE: 2138000 -72.9962 -12.9756 55.4246 -12.9755 -108.491 -74.6336 55.4244 -74.6325 114.556 GPRESSURE: 2138000 -4.72691 -62.0414 92.5116 -36.1597 6.36151 -53.941 11.4977 49.7248 23.4599 PRESSAVG: 2138000 3.68132 -22.7018 -8.17794 -22.7018 7.2465 51.0135 -8.17793 51.0135 -3.14777 GPRESSAVG: 2138000 3.15332 -23.8949 -5.88883 -23.6584 7.21286 49.0024 -11.6343 51.8476 -3.11071 TIMING: 2138000 CPU: 6831.99, 0.00312938/step Wall: 6831.99, 0.00312938/step, 2.48785 hours remaining, 234.902344 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: 2138000 4026.3879 20431.0440 14506.7989 247.3467 -203077.7213 2404.5430 0.0000 0.0000 52084.7286 -109376.8721 299.3317 -161461.6007 -109015.6148 299.6774 -22.3104 8.3648 762052.2898 2.5933 2.4185 PRESSURE: 2138200 236.414 -141.602 -95.16 -141.603 -262.143 -163.814 -95.1612 -163.813 -62.9946 GPRESSURE: 2138200 262.969 -124.407 -78.1628 -183.632 -260.687 -180.074 -60.2917 -144.192 -16.4318 PRESSAVG: 2138200 53.6716 -41.6461 10.2146 -41.6461 -37.07 -34.3968 10.2147 -34.3968 -3.61968 GPRESSAVG: 2138200 53.2126 -40.4102 8.59066 -40.2432 -37.0052 -33.3105 11.958 -33.2226 -3.18199 TIMING: 2138200 CPU: 6832.62, 0.00313763/step Wall: 6832.62, 0.00313763/step, 2.49424 hours remaining, 234.902344 MB of memory in use. ENERGY: 2138200 3948.8637 20508.1314 14459.2101 242.6460 -203440.3003 2686.9501 0.0000 0.0000 52116.1458 -109478.3533 299.5122 -161594.4991 -109114.3082 299.4919 -29.5745 -4.7166 763483.8796 4.3273 4.3418 PRESSURE: 2138400 321.007 143.956 7.72431 143.956 60.5632 -226.224 7.7241 -226.224 -277.341 GPRESSURE: 2138400 333.107 20.8956 131.68 39.186 16.6928 -121.077 -43.36 -250.815 -201.16 PRESSAVG: 2138400 49.3571 -38.7956 -34.1049 -38.7956 -43.3179 12.1136 -34.1049 12.1136 15.065 GPRESSAVG: 2138400 49.5676 -40.3662 -33.9401 -39.9397 -42.3966 11.9423 -33.7142 10.8553 13.8534 TIMING: 2138400 CPU: 6833.25, 0.00314087/step Wall: 6833.25, 0.00314087/step, 2.49665 hours remaining, 234.902344 MB of memory in use. ENERGY: 2138400 4091.0061 20371.9447 14512.1434 254.0130 -203070.9935 2399.8739 0.0000 0.0000 52096.5713 -109345.4411 299.3997 -161442.0125 -108985.9758 299.6780 34.7430 49.5466 762458.1008 7.0347 7.0081 PRESSURE: 2138600 -391.896 -134.036 91.5839 -134.035 -3.97219 104.934 91.5842 104.935 54.3547 GPRESSURE: 2138600 -246.376 -57.3753 55.7491 -55.2409 -12.9236 174.174 23.6696 65.2237 -5.62555 PRESSAVG: 2138600 9.8089 -66.2611 -28.1285 -66.2612 -25.7568 6.72045 -28.1285 6.72049 -7.55351 GPRESSAVG: 2138600 10.6484 -67.3669 -27.1602 -65.205 -26.6851 6.0639 -32.3719 8.2785 -6.89943 TIMING: 2138600 CPU: 6833.88, 0.0031459/step Wall: 6833.88, 0.0031459/step, 2.50046 hours remaining, 234.902344 MB of memory in use. ENERGY: 2138600 4090.6842 20425.0525 14561.9119 259.8159 -203020.3863 2417.2308 0.0000 0.0000 52063.2752 -109202.4156 299.2084 -161265.6909 -108850.3153 299.5942 -113.8378 -88.3082 762839.7168 -7.8338 -7.6454 PRESSURE: 2138800 -77.222 -184.476 -104.649 -184.475 -332.637 -74.881 -104.65 -74.8806 -533.494 GPRESSURE: 2138800 -26.5236 -278.669 -18.2927 -153.953 -287.189 -32.2947 -72.8729 60.7753 -532.67 PRESSAVG: 2138800 -18.7007 -52.5075 -16.1509 -52.5075 -46.7594 -10.7044 -16.1509 -10.7045 -16.8689 GPRESSAVG: 2138800 -18.9289 -51.3048 -15.7803 -52.5718 -45.7198 -10.5795 -16.7245 -11.5394 -17.4606 TIMING: 2138800 CPU: 6834.5, 0.00314333/step Wall: 6834.5, 0.00314334/step, 2.49825 hours remaining, 234.902344 MB of memory in use. ENERGY: 2138800 4040.3890 20460.3193 14532.9864 246.3335 -203328.4630 2801.9686 0.0000 0.0000 52142.8650 -109103.6011 299.6658 -161246.4662 -108742.5480 299.7150 -314.4511 -282.1274 761634.1479 -27.4430 -27.3698 PRESSURE: 2139000 117.9 96.4179 128.35 96.419 236.055 289.995 128.35 289.994 -214.813 GPRESSURE: 2139000 82.3179 -31.0534 109.348 -4.98396 215.313 277.608 168.737 247.322 -78.4125 PRESSAVG: 2139000 85.0382 -17.5848 5.54374 -17.5848 -57.3483 -7.34016 5.54368 -7.34016 8.61826 GPRESSAVG: 2139000 84.4035 -17.366 4.45789 -18.8721 -56.3003 -7.41168 7.58399 -5.77459 8.09167 TIMING: 2139000 CPU: 6835.13, 0.0031248/step Wall: 6835.13, 0.0031248/step, 2.48335 hours remaining, 234.902344 MB of memory in use. ENERGY: 2139000 4017.0635 20570.3494 14480.0764 242.3157 -203092.5421 2608.8570 0.0000 0.0000 51956.0934 -109217.7866 298.5924 -161173.8800 -108854.0529 300.1164 46.3806 73.0728 761937.1870 12.1027 12.0650 PRESSURE: 2139200 384.509 -78.1909 97.5287 -78.1911 -181.198 -44.5964 97.5275 -44.5965 87.1778 GPRESSURE: 2139200 309.011 -150.821 161.567 -84.2842 -86.586 92.3228 96.3791 -40.5943 150.139 PRESSAVG: 2139200 65.9752 -47.3971 22.2361 -47.3971 -38.9926 -1.782 22.236 -1.78204 -8.35553 GPRESSAVG: 2139200 65.1696 -46.6791 21.1559 -45.8085 -39.9817 -0.684978 23.2203 -0.920452 -7.4622 TIMING: 2139200 CPU: 6835.75, 0.00311974/step Wall: 6835.75, 0.00311974/step, 2.47916 hours remaining, 234.902344 MB of memory in use. ENERGY: 2139200 3998.9864 20609.6448 14505.2862 230.7473 -203344.4176 2749.7601 0.0000 0.0000 51722.2911 -109527.7016 297.2487 -161249.9928 -109164.8917 299.6470 96.8294 124.1882 762162.1943 6.2090 5.9086 PRESSURE: 2139400 -140.106 88.2974 222.665 88.2961 -125.592 -184.806 222.665 -184.806 -100.674 GPRESSURE: 2139400 -104.12 134.005 269.303 122.558 -59.4026 -203.047 214.921 -116.45 -114.419 PRESSAVG: 2139400 59.3586 -27.1588 -21.262 -27.1588 -69.0207 -9.54986 -21.262 -9.54989 -2.96309 GPRESSAVG: 2139400 59.9825 -27.4774 -21.1816 -27.0933 -69.5679 -9.97438 -21.909 -10.3155 -3.04696 TIMING: 2139400 CPU: 6836.38, 0.00312385/step Wall: 6836.38, 0.00312385/step, 2.48225 hours remaining, 234.902344 MB of memory in use. ENERGY: 2139400 4021.8324 20473.2228 14368.5314 239.4461 -203644.8012 2828.6410 0.0000 0.0000 52233.7623 -109479.3653 300.1881 -161713.1276 -109117.2159 299.5165 -122.1242 -92.6473 763360.3815 -4.2084 -4.2108 PRESSURE: 2139600 266.797 -169.293 22.1951 -169.293 -23.9677 -172.432 22.1957 -172.432 375.018 GPRESSURE: 2139600 262.697 -199.631 -4.20318 -150.438 61.333 -195.629 75.3151 -110.39 390.045 PRESSAVG: 2139600 60.6649 -15.3362 43.6994 -15.3363 -65.0363 13.6522 43.6994 13.6522 1.39396 GPRESSAVG: 2139600 61.3256 -16.3794 43.4369 -14.2799 -64.7079 13.2211 43.3578 12.0989 0.775434 TIMING: 2139600 CPU: 6837, 0.00313178/step Wall: 6837, 0.00313178/step, 2.48837 hours remaining, 234.902344 MB of memory in use. ENERGY: 2139600 3985.5501 20524.0572 14419.7327 255.6913 -203894.5640 2858.0467 0.0000 0.0000 52034.6279 -109816.8581 299.0437 -161851.4860 -109454.7125 299.0224 205.9493 238.0252 760925.3745 -0.9925 -0.8689 PRESSURE: 2139800 -153.969 -101.889 41.7367 -101.89 364.978 -258.097 41.7365 -258.097 -77.7459 GPRESSURE: 2139800 11.9239 -84.1958 99.5716 -121.529 325.707 -314.444 81.8823 -218.606 -122.327 PRESSAVG: 2139800 60.1393 -36.4678 -54.4059 -36.4678 -43.7979 27.813 -54.4059 27.8131 27.7856 GPRESSAVG: 2139800 61.187 -33.4049 -53.5301 -39.6117 -44.4585 28.1938 -54.8563 28.5692 27.8101 TIMING: 2139800 CPU: 6837.63, 0.0031336/step Wall: 6837.63, 0.0031336/step, 2.48965 hours remaining, 234.902344 MB of memory in use. ENERGY: 2139800 4010.0402 20441.8762 14392.5047 264.5469 -203400.1669 2609.2284 0.0000 0.0000 52029.5648 -109652.4058 299.0146 -161681.9705 -109289.8833 298.5689 44.4211 71.7679 761886.9881 14.7090 14.8462 PRESSURE: 2140000 126.362 27.3435 -82.955 27.343 -55.8873 -283.577 -82.9552 -283.577 -33.7827 GPRESSURE: 2140000 55.0485 116.896 -55.01 203.109 31.653 -271.282 -117.406 -119.855 38.1542 PRESSAVG: 2140000 105.954 -12.3823 0.27737 -12.3823 -75.9348 -39.0239 0.277402 -39.0239 13.3488 GPRESSAVG: 2140000 105.329 -14.521 -0.62558 -11.8545 -74.6893 -39.9998 0.665155 -37.0261 13.1105 TIMING: 2140000 CPU: 6838.26, 0.00314154/step Wall: 6838.26, 0.00314154/step, 2.49578 hours remaining, 234.902344 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: 2140000 4013.2431 20475.0404 14390.1697 238.4543 -203589.2565 2874.7811 0.0000 0.0000 51927.1817 -109670.3863 298.4262 -161597.5680 -109313.5269 298.5212 12.2306 41.6186 761734.7763 14.4561 14.5833 PRESSURE: 2140200 285.264 -78.979 -199.154 -78.9785 -4.13457 -106.398 -199.155 -106.398 -116.954 GPRESSURE: 2140200 273.962 -78.966 -221.58 6.97956 79.8512 -61.2008 -23.5352 -12.453 -120.174 PRESSAVG: 2140200 12.6299 -34.5017 19.704 -34.5017 -24.084 20.3755 19.704 20.3755 -0.608186 GPRESSAVG: 2140200 12.0023 -32.6139 21.3083 -36.3283 -24.1006 20.6426 20.6377 19.0351 0.269161 TIMING: 2140200 CPU: 6838.88, 0.00312392/step Wall: 6838.88, 0.00312392/step, 2.48161 hours remaining, 234.902344 MB of memory in use. ENERGY: 2140200 3983.1699 20437.1327 14487.9787 234.4269 -203308.6048 2625.4273 0.0000 0.0000 52044.3421 -109496.1271 299.0995 -161540.4692 -109130.6076 298.7718 54.7250 77.8794 761601.2889 -4.0208 -3.9431 LDB: ============= START OF LOAD BALANCING ============== 6851.3 LDB: ============== END OF LOAD BALANCING =============== 6851.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6851.3 LDB: ============= START OF LOAD BALANCING ============== 6851.62 LDB: Largest compute 7032 load 0.035745 is 18.3% of average load 0.195408 LDB: Average compute 0.004414 is 2.3% of average load 0.195408 LDB: TIME 6851.62 LOAD: AVG 0.195408 MAX 0.214362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.094 MB LDB: TIME 6851.62 LOAD: AVG 0.195408 MAX 0.214362 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.094 MB LDB: TIME 6851.62 LOAD: AVG 0.195408 MAX 0.214362 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.094 MB LDB: ============== END OF LOAD BALANCING =============== 6851.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6851.63 PRESSURE: 2140400 -97.8433 -58.8257 41.5598 -58.8251 2.11986 77.5097 41.561 77.5101 104.037 GPRESSURE: 2140400 -39.0468 -99.7003 68.1537 17.2868 24.0231 41.2207 95.0874 -2.9517 105.686 PRESSAVG: 2140400 44.7408 -43.6241 4.68706 -43.624 -77.0895 21.1864 4.6871 21.1863 -1.45485 GPRESSAVG: 2140400 45.4228 -47.5613 2.41145 -40.0647 -77.4301 20.4036 6.72817 20.744 -1.77536 TIMING: 2140400 CPU: 6839.52, 0.00319507/step Wall: 6839.52, 0.00319507/step, 2.53795 hours remaining, 234.378906 MB of memory in use. ENERGY: 2140400 4018.2432 20631.9973 14506.5097 253.2324 -203171.8109 2360.2877 0.0000 0.0000 51710.1916 -109691.3491 297.1792 -161401.5407 -109327.3090 299.1425 2.7711 30.2207 762863.7696 -11.2678 -11.2609 PRESSURE: 2140600 -69.6279 -2.88679 341.409 -2.88726 153.998 98.0377 341.408 98.0388 -106.175 GPRESSURE: 2140600 -87.9323 110.875 305.681 53.8548 188.315 144.138 245.165 185.009 -37.6162 PRESSAVG: 2140600 -4.1554 -82.3625 -37.7288 -82.3625 4.89154 71.5788 -37.7289 71.5787 4.79153 GPRESSAVG: 2140600 -2.76379 -81.0126 -35.8216 -82.7678 4.33149 73.6514 -40.7105 69.5028 4.3803 TIMING: 2140600 CPU: 6840.15, 0.00313469/step Wall: 6840.15, 0.00313469/step, 2.48982 hours remaining, 234.378906 MB of memory in use. ENERGY: 2140600 3993.0197 20506.7734 14508.7266 239.9743 -203410.1388 2484.2034 0.0000 0.0000 52196.3104 -109481.1311 299.9729 -161677.4415 -109114.1688 299.1708 -7.2683 20.9223 760400.1631 1.8426 1.9827 PRESSURE: 2140800 -231.002 -136.601 65.5676 -136.601 -167.48 -239.797 65.5675 -239.796 52.4976 GPRESSURE: 2140800 -267.979 -157.76 -54.7345 -233.892 -100.469 -213.343 51.1967 -159.037 96.2025 PRESSAVG: 2140800 -0.597714 -53.4953 24.2732 -53.4953 -26.4603 9.24757 24.2731 9.24756 7.81761 GPRESSAVG: 2140800 -0.661043 -52.0412 22.8408 -54.253 -26.9987 8.19311 25.2059 13.425 7.85223 TIMING: 2140800 CPU: 6840.77, 0.00312073/step Wall: 6840.77, 0.00312073/step, 2.47856 hours remaining, 234.378906 MB of memory in use. ENERGY: 2140800 4116.5190 20397.3870 14523.1806 250.2418 -203451.4500 2455.1864 0.0000 0.0000 52253.0321 -109455.9030 300.2989 -161708.9351 -109090.0619 299.8009 -115.3282 -90.7485 760363.5230 -6.4135 -6.6025 PRESSURE: 2141000 -123.565 -2.44447 -148.005 -2.4448 -186.54 118.274 -148.004 118.273 110.479 GPRESSURE: 2141000 -56.4216 -100.207 -136.874 34.6252 -125.077 151.311 -156.192 68.9366 95.9511 PRESSAVG: 2141000 60.3734 -67.5288 15.478 -67.5288 -56.3392 3.66716 15.4781 3.66717 15.1993 GPRESSAVG: 2141000 59.5328 -71.772 14.9025 -65.455 -54.6664 2.11324 16.1538 4.21228 14.8113 TIMING: 2141000 CPU: 6841.4, 0.00312187/step Wall: 6841.4, 0.00312187/step, 2.47928 hours remaining, 234.378906 MB of memory in use. ENERGY: 2141000 4025.3233 20429.7629 14477.1010 255.1500 -203684.3653 2882.9276 0.0000 0.0000 52046.9009 -109567.1996 299.1143 -161614.1005 -109210.7761 299.5821 -66.5420 -28.5159 759846.0588 6.4112 6.5593 PRESSURE: 2141200 -163.956 65.7266 18.0652 65.7268 38.8263 104.652 18.0657 104.652 -70.2216 GPRESSURE: 2141200 -84.6686 42.5598 -4.19502 -59.9733 17.8724 85.7152 51.2356 61.4882 -61.9541 PRESSAVG: 2141200 31.5441 -14.262 -4.80585 -14.262 -23.7998 6.02849 -4.80581 6.02849 -16.4244 GPRESSAVG: 2141200 32.4754 -11.7462 -4.72745 -15.452 -24.748 7.52479 -4.50879 4.92777 -16.9001 TIMING: 2141200 CPU: 6842.02, 0.00311358/step Wall: 6842.02, 0.00311359/step, 2.47253 hours remaining, 234.378906 MB of memory in use. ENERGY: 2141200 4002.5185 20407.1043 14460.5056 252.6358 -203451.8421 2612.1337 0.0000 0.0000 52094.9145 -109622.0296 299.3902 -161716.9441 -109245.1890 299.0846 -65.1170 -42.9168 762166.4483 -2.8934 -3.0576 PRESSURE: 2141400 449.257 -70.4005 249.902 -70.4 276.698 -214.38 249.901 -214.38 67.0002 GPRESSURE: 2141400 509.263 12.9184 198.943 -94.2728 312.564 -163.776 106.563 -232.439 65.5785 PRESSAVG: 2141400 24.3828 43.0657 3.3366 43.0658 16.0577 -19.206 3.33666 -19.2059 -4.06334 GPRESSAVG: 2141400 24.362 43.8454 5.10878 45.3649 16.8975 -18.6396 3.83596 -20.1535 -4.95453 TIMING: 2141400 CPU: 6842.65, 0.00312949/step Wall: 6842.65, 0.00312949/step, 2.48499 hours remaining, 234.378906 MB of memory in use. ENERGY: 2141400 3935.0715 20444.1211 14499.7619 251.4730 -204013.5945 2989.9419 0.0000 0.0000 52310.0075 -109583.2176 300.6263 -161893.2251 -109210.2821 299.3677 264.3184 295.8019 759314.7778 12.1257 12.1016 PRESSURE: 2141600 -547.538 -115.917 68.3303 -115.918 -317.936 -239.077 68.3299 -239.076 -537.164 GPRESSURE: 2141600 -463.818 -52.0759 68.9891 -198.32 -329.274 -237.967 -9.51258 -275.479 -519.16 PRESSAVG: 2141600 -12.5297 -26.7191 -14.0862 -26.7191 3.98423 -44.2489 -14.0862 -44.2489 12.0764 GPRESSAVG: 2141600 -13.0653 -25.5386 -14.0226 -28.5008 2.32601 -43.7887 -17.3721 -42.8594 14.2648 TIMING: 2141600 CPU: 6843.27, 0.00310758/step Wall: 6843.27, 0.00310758/step, 2.46742 hours remaining, 234.378906 MB of memory in use. ENERGY: 2141600 4058.7076 20439.1460 14416.2189 226.3196 -203428.7721 2498.9305 0.0000 0.0000 52370.2495 -109419.1999 300.9725 -161789.4494 -109045.3640 299.2534 -467.5459 -437.4172 759972.8345 1.1770 1.1752 PRESSURE: 2141800 -31.0362 -71.6628 -166.42 -71.6627 -74.4812 -48.1858 -166.42 -48.1864 142.136 GPRESSURE: 2141800 -45.4716 -95.5681 -108.501 23.5326 -3.05527 -181.55 -129.843 62.1161 176.323 PRESSAVG: 2141800 -15.5882 -22.6893 25.9313 -22.6892 -23.1377 -14.3794 25.9314 -14.3795 -19.5909 GPRESSAVG: 2141800 -17.4845 -25.197 25.1681 -22.5089 -22.0448 -18.1277 28.286 -13.6569 -18.9518 TIMING: 2141800 CPU: 6843.9, 0.00314084/step Wall: 6843.9, 0.00314084/step, 2.49365 hours remaining, 234.378906 MB of memory in use. ENERGY: 2141800 3995.6818 20692.0857 14545.0721 247.6255 -203517.6504 2846.1961 0.0000 0.0000 52040.5923 -109150.3969 299.0780 -161190.9892 -108794.9591 299.8770 12.2062 42.5985 761990.5760 -19.4389 -19.4937 PRESSURE: 2142000 -409.986 -211.597 43.1705 -211.597 -230.181 11.8063 43.1711 11.8067 -278.947 GPRESSURE: 2142000 -388.686 -125.204 -53.2876 -293.794 -193.562 -2.97173 22.8162 -36.0006 -246.969 PRESSAVG: 2142000 -30.0738 -55.8315 38.8667 -55.8314 8.60689 43.9564 38.8667 43.9564 -18.6783 GPRESSAVG: 2142000 -28.2171 -56.86 38.8188 -55.4434 7.99037 45.0221 39.5821 42.896 -20.185 TIMING: 2142000 CPU: 6844.52, 0.003134/step Wall: 6844.52, 0.003134/step, 2.48805 hours remaining, 234.378906 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: 2142000 4076.7225 20654.2347 14531.3649 243.4008 -203329.5823 2469.4422 0.0000 0.0000 52055.9552 -109298.4621 299.1663 -161354.4172 -108943.8580 299.7514 -306.3714 -276.4058 759942.4016 -13.3817 -13.4706 PRESSURE: 2142200 -238.354 -14.8276 -63.6963 -14.8267 -159.057 -65.5279 -63.697 -65.5283 4.23846 GPRESSURE: 2142200 -193.593 -42.6286 48.7992 36.473 -184.325 23.1017 -71.3144 -100.666 75.9497 PRESSAVG: 2142200 -9.13039 -37.6918 5.58649 -37.6917 -16.2431 -23.5004 5.58649 -23.5005 9.14356 GPRESSAVG: 2142200 -10.3028 -34.7743 6.46933 -38.2583 -15.4756 -21.1385 4.64907 -23.9214 9.58583 TIMING: 2142200 CPU: 6845.15, 0.00315086/step Wall: 6845.15, 0.00315086/step, 2.50126 hours remaining, 234.378906 MB of memory in use. ENERGY: 2142200 4054.3217 20564.7629 14512.8044 246.0278 -203324.8104 2450.5846 0.0000 0.0000 52254.1191 -109242.1900 300.3051 -161496.3091 -108873.2748 299.8914 -131.0575 -100.6558 760544.0066 -5.4100 -5.3975 PRESSURE: 2142400 424.819 -204.497 37.1564 -204.497 131.294 -179.794 37.1567 -179.794 186.411 GPRESSURE: 2142400 427.993 -87.9843 42.783 -106.578 149.408 -159.417 -44.8769 -137.285 261.333 PRESSAVG: 2142400 2.42711 -36.3328 5.32052 -36.3328 -49.1976 -46.9142 5.32051 -46.9142 -0.245564 GPRESSAVG: 2142400 1.77932 -38.8578 3.73611 -34.7109 -49.2267 -49.7544 6.71883 -43.3436 -0.166467 TIMING: 2142400 CPU: 6845.79, 0.00315912/step Wall: 6845.79, 0.00315912/step, 2.50764 hours remaining, 234.378906 MB of memory in use. ENERGY: 2142400 4000.8211 20701.5778 14522.9338 245.5528 -203398.9976 2749.7566 0.0000 0.0000 52183.6495 -108994.7061 299.9002 -161178.3555 -108630.6450 300.3181 247.5078 279.5780 761621.2346 -15.6720 -15.8713 PRESSURE: 2142600 -342.02 -52.3615 -76.9316 -52.3613 -11.4445 -108.522 -76.9312 -108.52 212.818 GPRESSURE: 2142600 -294.523 -82.8882 -88.7459 13.6524 -19.5385 -128.638 45.22 -50.944 265.54 PRESSAVG: 2142600 12.2617 -35.1123 2.3285 -35.1123 -21.2344 27.2274 2.3286 27.2274 19.6331 GPRESSAVG: 2142600 14.361 -35.0308 2.7592 -34.2381 -21.9877 27.5714 1.11335 25.8696 18.3298 TIMING: 2142600 CPU: 6846.42, 0.00315858/step Wall: 6846.42, 0.00315858/step, 2.50703 hours remaining, 234.378906 MB of memory in use. ENERGY: 2142600 4029.2615 20654.4305 14488.9487 257.0440 -203700.2596 2733.6209 0.0000 0.0000 52371.6400 -109165.3139 300.9805 -161536.9539 -108799.6558 300.5415 -46.8821 -16.1736 760606.9897 3.5534 3.5677 PRESSURE: 2142800 169.393 235.251 122.596 235.251 59.0202 -239.014 122.595 -239.013 -117.232 GPRESSURE: 2142800 121.037 199.468 43.0929 234.366 105.915 -160.428 57.3611 -254.527 -27.3748 PRESSAVG: 2142800 29.6899 -34.8177 -17.2111 -34.8177 21.1073 20.3996 -17.2111 20.3995 14.5434 GPRESSAVG: 2142800 28.2977 -34.4454 -17.1076 -35.6191 21.4532 22.5608 -17.1358 18.8976 15.4617 TIMING: 2142800 CPU: 6847.05, 0.00315646/step Wall: 6847.05, 0.00315646/step, 2.50518 hours remaining, 234.378906 MB of memory in use. ENERGY: 2142800 3960.0108 20658.9248 14494.4995 241.1350 -203437.7266 2497.5897 0.0000 0.0000 52546.8724 -109038.6943 301.9876 -161585.5668 -108673.6121 300.1768 37.0604 66.5259 760339.7631 21.7802 21.7375 PRESSURE: 2143000 -215.483 -110.853 -131.734 -110.853 49.8263 16.6856 -131.735 16.6845 14.1947 GPRESSURE: 2143000 -92.8415 2.05064 -68.0853 -30.3176 -9.86906 -32.2487 -109.802 -167.022 35.1139 PRESSAVG: 2143000 -0.572806 -16.6316 34.6979 -16.6315 20.7758 -17.1598 34.6979 -17.1598 -1.50504 GPRESSAVG: 2143000 -1.13884 -17.1441 37.6386 -18.1387 21.5442 -19.3797 31.4111 -17.2894 -1.50887 TIMING: 2143000 CPU: 6847.68, 0.00314522/step Wall: 6847.68, 0.00314522/step, 2.49608 hours remaining, 234.378906 MB of memory in use. ENERGY: 2143000 3966.8482 20495.5681 14482.6068 227.9005 -203058.0744 2389.0030 0.0000 0.0000 52224.7164 -109271.4314 300.1362 -161496.1478 -108890.4775 300.6523 -50.4874 -22.5322 761609.8080 6.2326 6.2988 PRESSURE: 2143200 -7.01026 168.576 -21.6488 168.575 59.659 43.9191 -21.6493 43.9203 365.723 GPRESSURE: 2143200 -81.8576 278.959 41.3765 297.429 173.501 85.7695 -95.1165 90.7702 413.434 PRESSAVG: 2143200 -27.4371 7.81556 -61.8364 7.81554 -16.3499 -14.0829 -61.8364 -14.0829 17.2972 GPRESSAVG: 2143200 -27.0996 10.1397 -65.2058 8.67545 -16.7585 -13.9808 -58.1581 -12.816 17.2368 TIMING: 2143200 CPU: 6848.31, 0.00314779/step Wall: 6848.31, 0.00314779/step, 2.49795 hours remaining, 234.378906 MB of memory in use. ENERGY: 2143200 4000.0247 20544.9745 14473.6378 243.8482 -203391.8978 2751.9528 0.0000 0.0000 52253.4108 -109124.0490 300.3011 -161377.4598 -108766.7089 300.2477 139.4573 168.3592 761941.0133 -8.8299 -8.8738 PRESSURE: 2143400 -112.842 -250.148 143.936 -250.148 -148.368 285.218 143.937 285.218 -363.934 GPRESSURE: 2143400 -78.3627 -332.386 174.039 -178.237 -129.739 210.967 131.592 230.941 -331.456 PRESSAVG: 2143400 -43.5906 -14.6025 -21.6557 -14.6026 6.13998 21.2372 -21.6557 21.2373 -16.1778 GPRESSAVG: 2143400 -43.7393 -15.0975 -20.7664 -17.316 6.34992 22.8246 -23.7955 18.3755 -16.4957 TIMING: 2143400 CPU: 6848.94, 0.00314158/step Wall: 6848.94, 0.00314158/step, 2.49284 hours remaining, 234.636719 MB of memory in use. ENERGY: 2143400 4029.7658 20606.1655 14443.0105 230.3233 -203012.8434 2186.5359 0.0000 0.0000 52228.6817 -109288.3606 300.1590 -161517.0423 -108927.0880 299.9135 -208.3814 -179.8525 761973.7776 -17.8761 -17.9617 PRESSURE: 2143600 -1.29989 40.3398 49.9506 40.3403 -223.489 -67.9544 49.9504 -67.956 -541.521 GPRESSURE: 2143600 -61.7862 95.404 92.4971 9.35008 -154.59 -59.7486 40.944 -59.9487 -489.238 PRESSAVG: 2143600 36.9233 -61.3669 -43.5506 -61.367 -31.8955 33.6162 -43.5506 33.6162 8.13718 GPRESSAVG: 2143600 35.8836 -61.8452 -43.7723 -60.697 -30.5156 32.2098 -42.1328 36.5755 8.1111 TIMING: 2143600 CPU: 6849.56, 0.00313387/step Wall: 6849.56, 0.00313387/step, 2.48656 hours remaining, 234.636719 MB of memory in use. ENERGY: 2143600 3990.9686 20542.7478 14419.8631 264.4134 -203147.3392 2532.4066 0.0000 0.0000 52191.9897 -109204.9500 299.9481 -161396.9397 -108836.7911 300.1874 -255.4365 -235.2047 760900.1275 4.3883 4.4930 PRESSURE: 2143800 319.141 -61.5531 -18.9114 -61.5539 227.993 216.069 -18.9117 216.07 126.929 GPRESSURE: 2143800 319.973 -197.02 -72.0511 -32.1889 294.109 304.083 -50.9497 55.1495 150.425 PRESSAVG: 2143800 -0.540926 -41.8699 11.8962 -41.8699 -17.844 31.2894 11.8962 31.2894 13.9591 GPRESSAVG: 2143800 1.25855 -39.8092 11.4822 -41.7454 -19.6503 32.3842 11.9066 29.346 13.7573 TIMING: 2143800 CPU: 6850.19, 0.00316361/step Wall: 6850.19, 0.00316361/step, 2.50997 hours remaining, 234.636719 MB of memory in use. ENERGY: 2143800 3964.2499 20441.7944 14456.3854 252.2644 -203187.1072 2514.2154 0.0000 0.0000 52323.1837 -109235.0139 300.7021 -161558.1976 -108875.4556 300.4263 224.6876 254.8359 759781.8160 -1.4753 -1.5448 PRESSURE: 2144000 -6.00164 -158.946 -16.7954 -158.947 187.481 96.1762 -16.7951 96.1758 -64.328 GPRESSURE: 2144000 70.3487 -148.588 -9.03678 -120.454 250.948 142.874 9.64683 120.08 -112.857 PRESSAVG: 2144000 10.7467 -11.0457 18.0886 -11.0456 -14.479 32.6999 18.0886 32.6999 -1.76027 GPRESSAVG: 2144000 10.4509 -12.2087 20.0149 -10.1189 -14.2443 31.0491 17.5287 34.1441 -1.50278 TIMING: 2144000 CPU: 6850.83, 0.00318555/step Wall: 6850.83, 0.00318556/step, 2.52721 hours remaining, 234.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2144000 4016.1844 20499.8635 14446.1595 259.2873 -203240.3923 2583.8211 0.0000 0.0000 51976.0396 -109459.0369 298.7070 -161435.0765 -109099.9015 299.2557 39.0504 69.4799 760945.1006 -1.8308 -1.7654 PRESSURE: 2144200 204.414 -108.68 -90.8478 -108.68 -299.994 -80.3853 -90.8477 -80.3855 172.453 GPRESSURE: 2144200 126.824 -93.6654 -154.29 70.0098 -202.919 -107.862 -40.7093 50.7129 239.547 PRESSAVG: 2144200 18.0804 -4.34523 39.7088 -4.34523 13.0638 -20.2293 39.709 -20.2293 -2.30815 GPRESSAVG: 2144200 16.9058 -4.92624 37.9254 -3.97672 13.2036 -18.6008 42.8526 -19.9529 -2.15379 TIMING: 2144200 CPU: 6851.47, 0.00317929/step Wall: 6851.47, 0.00317929/step, 2.52206 hours remaining, 234.636719 MB of memory in use. ENERGY: 2144200 3992.2321 20506.2963 14480.4391 252.6165 -203007.1915 2297.1330 0.0000 0.0000 51976.0054 -109502.4691 298.7068 -161478.4745 -109142.8084 299.0176 25.6244 54.4843 760091.9139 9.6120 9.3185 LDB: ============= START OF LOAD BALANCING ============== 6863.89 LDB: ============== END OF LOAD BALANCING =============== 6863.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6863.89 LDB: ============= START OF LOAD BALANCING ============== 6864.21 LDB: Largest compute 7033 load 0.036728 is 18.8% of average load 0.195537 LDB: Average compute 0.004378 is 2.2% of average load 0.195537 LDB: TIME 6864.22 LOAD: AVG 0.195537 MAX 0.214155 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.594 MB LDB: TIME 6864.22 LOAD: AVG 0.195537 MAX 0.214155 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: TIME 6864.22 LOAD: AVG 0.195537 MAX 0.214155 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: ============== END OF LOAD BALANCING =============== 6864.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6864.22 PRESSURE: 2144400 78.7171 -62.0978 90.5541 -62.0978 74.5928 -122.245 90.5551 -122.245 -111.57 GPRESSURE: 2144400 42.632 -10.8623 172.427 -29.2054 130.966 -151.05 64.7802 -167.746 -57.2785 PRESSAVG: 2144400 33.9634 -69.3096 -10.5835 -69.3097 -46.0279 -9.25684 -10.5835 -9.25674 -16.6116 GPRESSAVG: 2144400 34.8126 -68.4762 -10.7109 -70.7177 -46.983 -10.2269 -10.3548 -10.4134 -16.3483 TIMING: 2144400 CPU: 6852.12, 0.00325142/step Wall: 6852.12, 0.00325142/step, 2.5791 hours remaining, 234.398438 MB of memory in use. ENERGY: 2144400 4011.5428 20231.8229 14505.8497 236.2458 -203336.4695 2651.6471 0.0000 0.0000 52063.6942 -109635.6670 299.2108 -161699.3612 -109256.5911 298.4181 13.9132 38.7732 762265.5360 -9.5587 -9.5062 PRESSURE: 2144600 -100.75 13.7666 247.916 13.7659 -504.966 35.1135 247.916 35.1135 -820.07 GPRESSURE: 2144600 -73.951 -0.464214 236.078 87.195 -571.989 62.5767 124.545 82.4982 -700.511 PRESSAVG: 2144600 35.2407 -38.3299 -25.8264 -38.3299 -53.8908 25.5537 -25.8265 25.5538 -14.9076 GPRESSAVG: 2144600 35.3061 -40.2192 -26.3332 -37.1898 -52.4931 25.1561 -26.6018 24.7226 -16.1674 TIMING: 2144600 CPU: 6852.75, 0.00317606/step Wall: 6852.75, 0.00317606/step, 2.51914 hours remaining, 234.468750 MB of memory in use. ENERGY: 2144600 3993.1982 20456.2864 14558.5715 248.4856 -203002.1126 2021.6402 0.0000 0.0000 52039.8700 -109684.0607 299.0738 -161723.9307 -109317.6660 298.4283 -475.2621 -448.8172 763093.7921 -11.1859 -11.1181 PRESSURE: 2144800 -22.8512 -314.741 -83.876 -314.741 -372.789 91.151 -83.8752 91.1504 181.009 GPRESSURE: 2144800 57.7415 -383.366 -110.116 -249.436 -359.066 94.5187 -176.599 130.099 176.725 PRESSAVG: 2144800 78.4886 -52.984 7.8495 -52.984 -74.3665 -10.1658 7.84954 -10.1658 22.957 GPRESSAVG: 2144800 76.9939 -50.7232 7.95245 -53.2622 -73.2436 -9.99852 6.22093 -9.2305 23.2699 TIMING: 2144800 CPU: 6853.39, 0.00318784/step Wall: 6853.39, 0.00318784/step, 2.52831 hours remaining, 234.468750 MB of memory in use. ENERGY: 2144800 3921.7823 20563.3295 14506.7659 246.8249 -203494.4796 2527.3864 0.0000 0.0000 51980.7602 -109747.6304 298.7341 -161728.3906 -109387.6768 298.3233 -71.5437 -41.5330 763176.2842 9.0264 9.0068 PRESSURE: 2145000 136.039 29.4356 91.1081 29.4347 -111.821 143.71 91.1081 143.711 148.581 GPRESSURE: 2145000 119.338 82.2202 -38.39 38.0887 -14.1586 169.403 262.699 27.7402 148.669 PRESSAVG: 2145000 0.827227 -26.7245 -14.6169 -26.7245 -37.1866 -34.3244 -14.617 -34.3244 -9.15798 GPRESSAVG: 2145000 2.09304 -28.4319 -14.7023 -27.0299 -37.712 -33.7593 -14.0682 -35.4735 -9.42621 TIMING: 2145000 CPU: 6854.02, 0.00315828/step Wall: 6854.02, 0.00315828/step, 2.5047 hours remaining, 234.468750 MB of memory in use. ENERGY: 2145000 3980.1779 20614.6409 14493.2909 260.2431 -203743.3754 2832.5666 0.0000 0.0000 52115.4252 -109447.0308 299.5081 -161562.4560 -109083.0239 298.8519 57.5995 84.6163 761316.7233 -15.1724 -15.0150 PRESSURE: 2145200 -186.083 83.1845 185.883 83.1853 154.939 -99.1946 185.883 -99.1941 319.248 GPRESSURE: 2145200 -85.3773 55.403 183.716 195.238 164.843 -152.1 75.73 -90.0501 298.021 PRESSAVG: 2145200 11.6861 -25.1073 -6.3433 -25.1072 -3.03074 49.2186 -6.3433 49.2186 -0.136808 GPRESSAVG: 2145200 11.6065 -25.4436 -6.0355 -26.1344 -3.95527 51.4979 -6.18416 48.609 0.655383 TIMING: 2145200 CPU: 6854.65, 0.0031474/step Wall: 6854.65, 0.0031474/step, 2.49589 hours remaining, 234.468750 MB of memory in use. ENERGY: 2145200 3975.6907 20411.0424 14506.9029 264.7093 -203600.7861 2771.6026 0.0000 0.0000 52260.8819 -109409.9564 300.3440 -161670.8383 -109047.8262 299.4763 96.0347 125.8292 761642.3679 2.8395 2.7689 PRESSURE: 2145400 248.059 14.4035 -83.0681 14.4026 -104.437 144.207 -83.0675 144.206 -86.2653 GPRESSURE: 2145400 225.824 57.243 -112.09 -62.193 16.0067 100.488 -84.7313 55.2259 -76.3625 PRESSAVG: 2145400 16.1273 -17.9873 2.71833 -17.9873 -46.0292 -24.4258 2.71838 -24.4258 -32.322 GPRESSAVG: 2145400 16.2175 -18.0828 3.5312 -16.8551 -45.0964 -26.9832 3.25513 -23.6106 -33.4658 TIMING: 2145400 CPU: 6855.28, 0.00316137/step Wall: 6855.28, 0.00316137/step, 2.50679 hours remaining, 234.468750 MB of memory in use. ENERGY: 2145400 3945.2639 20591.0042 14456.9517 235.8563 -203362.7239 2519.5744 0.0000 0.0000 52169.1829 -109444.8905 299.8170 -161614.0734 -109086.9656 299.1084 19.1189 55.1561 761478.5425 -20.7413 -20.7816 PRESSURE: 2145600 99.4038 -238.676 157.667 -238.676 -182.006 -86.5233 157.667 -86.522 39.8993 GPRESSURE: 2145600 100.152 -145.126 202.771 -228.721 -139.832 -65.6849 142.708 -50.6519 90.7054 PRESSAVG: 2145600 86.9577 -12.6837 38.2669 -12.6837 -47.9944 12.936 38.2669 12.9361 -8.18428 GPRESSAVG: 2145600 87.3595 -11.8599 37.0965 -12.5002 -48.1087 12.9972 38.0268 13.2384 -8.11097 TIMING: 2145600 CPU: 6855.91, 0.00313789/step Wall: 6855.91, 0.00313789/step, 2.488 hours remaining, 234.468750 MB of memory in use. ENERGY: 2145600 4077.9275 20499.8490 14428.4365 255.0655 -204009.8353 2905.7030 0.0000 0.0000 52078.0302 -109764.8236 299.2932 -161842.8538 -109397.7890 298.7980 -14.2344 17.0086 759141.3115 10.2597 10.3799 PRESSURE: 2145800 -14.2759 228.899 227.053 228.9 -31.649 -148.748 227.053 -148.748 -36.1812 GPRESSURE: 2145800 82.0011 71.1837 255.819 104.27 14.244 -172.238 103.766 -86.9756 -88.3141 PRESSAVG: 2145800 8.63132 -39.5879 -8.82048 -39.5879 29.5796 -28.0316 -8.82047 -28.0316 26.255 GPRESSAVG: 2145800 8.44138 -39.7435 -8.80307 -41.699 29.0761 -26.7061 -10.974 -25.8537 26.5858 TIMING: 2145800 CPU: 6856.54, 0.00313132/step Wall: 6856.54, 0.00313132/step, 2.48261 hours remaining, 234.468750 MB of memory in use. ENERGY: 2145800 3959.1729 20642.9103 14481.8793 232.3396 -203470.2274 2513.9967 0.0000 0.0000 51975.3202 -109664.6085 298.7029 -161639.9287 -109293.3214 299.3839 -27.3687 2.6437 761477.6971 21.4886 21.3678 PRESSURE: 2146000 -156.076 -153.595 -103.999 -153.594 -26.5921 162.595 -103.999 162.594 105.811 GPRESSURE: 2146000 -132.17 -225.176 -106.026 -64.1777 -10.9855 198.495 -39.7086 140.875 161.284 PRESSAVG: 2146000 22.4173 -3.49027 41.366 -3.49033 -30.6671 -24.5986 41.3659 -24.5986 -0.790191 GPRESSAVG: 2146000 22.1835 -6.07603 41.8573 0.435212 -30.2661 -23.4582 42.5497 -28.2059 -1.39619 TIMING: 2146000 CPU: 6857.17, 0.00313645/step Wall: 6857.17, 0.00313645/step, 2.48651 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2146000 3983.6698 20588.4674 14531.7863 259.1163 -203196.5494 2402.7981 0.0000 0.0000 51958.7381 -109471.9734 298.6076 -161430.7114 -109107.1020 299.2325 -25.6191 6.0430 761346.1730 -3.0133 -3.1596 PRESSURE: 2146200 64.122 108.514 41.7572 108.514 115.145 -218.239 41.7568 -218.239 -113.093 GPRESSURE: 2146200 171.366 80.491 -3.74347 142.999 87.6582 -251.303 -65.3554 -211.808 -88.4196 PRESSAVG: 2146200 43.1804 -30.4772 39.1412 -30.4772 -29.8455 1.50322 39.1412 1.50328 -24.5467 GPRESSAVG: 2146200 42.7111 -27.1478 39.2646 -31.8926 -30.0601 0.170288 38.3782 1.99055 -24.3246 TIMING: 2146200 CPU: 6857.79, 0.00313953/step Wall: 6857.79, 0.00313953/step, 2.48877 hours remaining, 234.468750 MB of memory in use. ENERGY: 2146200 4023.8508 20604.2551 14526.7233 242.9615 -203563.6409 2699.3937 0.0000 0.0000 52074.2900 -109392.1663 299.2717 -161466.4564 -109035.4504 299.5973 22.0581 56.8680 761720.5874 -3.7373 -3.8912 PRESSURE: 2146400 10.1499 106.78 -69.3684 106.781 231.664 -42.1212 -69.369 -42.1197 -170.809 GPRESSURE: 2146400 43.9279 48.1092 -65.7798 75.1927 190.58 11.8893 53.7853 -138.698 -81.323 PRESSAVG: 2146400 -4.90541 -35.1095 18.9253 -35.1095 10.478 -23.3057 18.9252 -23.3056 1.42901 GPRESSAVG: 2146400 -4.51944 -36.6609 17.8336 -35.982 9.9983 -22.506 21.0245 -23.7729 1.53593 TIMING: 2146400 CPU: 6858.42, 0.00311839/step Wall: 6858.42, 0.00311839/step, 2.47184 hours remaining, 234.468750 MB of memory in use. ENERGY: 2146400 3953.9914 20324.7843 14521.9841 229.4362 -203103.1905 2477.0124 0.0000 0.0000 52038.3004 -109557.6818 299.0648 -161595.9822 -109184.2222 299.3463 23.6684 51.0615 761270.0865 2.3339 2.3383 PRESSURE: 2146600 351.978 152.817 -115.012 152.817 359.823 -31.2301 -115.012 -31.2301 97.6471 GPRESSURE: 2146600 383.646 -15.54 -89.5082 233.977 361.357 -43.295 -201.949 2.09289 137.282 PRESSAVG: 2146600 -16.1696 -23.4426 -39.5735 -23.4426 -20.4974 -11.3332 -39.5736 -11.3333 -24.2066 GPRESSAVG: 2146600 -16.432 -25.7694 -38.9639 -22.4298 -21.5256 -8.63379 -41.8249 -11.9645 -23.3995 TIMING: 2146600 CPU: 6859.05, 0.0031398/step Wall: 6859.05, 0.0031398/step, 2.48864 hours remaining, 234.468750 MB of memory in use. ENERGY: 2146600 3907.2188 20577.1932 14532.3702 248.2410 -203309.4262 2547.1392 0.0000 0.0000 51907.7449 -109589.5190 298.3145 -161497.2639 -109226.5263 298.8661 269.8160 294.0948 762736.5838 -20.2912 -20.4523 PRESSURE: 2146800 29.2384 170.161 -145.647 170.161 99.9447 35.2188 -145.647 35.2183 452.313 GPRESSURE: 2146800 33.3513 145.44 -62.3355 167.316 196.048 9.29746 -313.776 -23.1893 460.837 PRESSAVG: 2146800 22.6484 0.662624 -21.9493 0.662597 -56.4072 -14.5853 -21.9493 -14.5854 -15.0952 GPRESSAVG: 2146800 22.5211 2.02778 -22.1555 1.18546 -55.8672 -17.2176 -20.4765 -10.9072 -15.3219 TIMING: 2146800 CPU: 6859.67, 0.00314313/step Wall: 6859.67, 0.00314313/step, 2.4911 hours remaining, 234.468750 MB of memory in use. ENERGY: 2146800 3980.2205 20489.1248 14528.5110 247.5789 -203672.3850 2808.6225 0.0000 0.0000 52132.3015 -109486.0258 299.6051 -161618.3273 -109123.2287 299.4146 193.8322 230.0786 761128.7181 -16.2847 -16.2227 PRESSURE: 2147000 -94.9762 -42.8222 85.9997 -42.8222 -59.5169 221.853 85.9992 221.854 -313.786 GPRESSURE: 2147000 -16.4648 66.6591 141.47 -30.0813 -44.3502 219.221 26.922 209.279 -320.319 PRESSAVG: 2147000 19.5176 14.866 16.0843 14.866 -17.0376 -9.20757 16.0843 -9.20751 4.11701 GPRESSAVG: 2147000 20.4147 15.5367 17.7459 14.2807 -17.2354 -8.2551 14.7465 -11.1704 3.19145 TIMING: 2147000 CPU: 6860.3, 0.00315214/step Wall: 6860.3, 0.00315214/step, 2.49807 hours remaining, 234.468750 MB of memory in use. ENERGY: 2147000 3970.8359 20612.7130 14522.3656 238.6601 -203573.6291 2454.0756 0.0000 0.0000 52128.9122 -109646.0666 299.5856 -161774.9788 -109276.9315 299.2955 -156.0931 -127.0448 762063.9633 2.1990 2.1236 PRESSURE: 2147200 -232.059 -13.6579 -59.9387 -13.6574 -163.288 96.63 -59.9385 96.6301 -84.4539 GPRESSURE: 2147200 -253.849 -94.4451 34.4392 -14.6974 -143.612 104.62 -70.166 208.245 0.833937 PRESSAVG: 2147200 29.6684 -8.88428 25.2821 -8.88427 -19.1372 31.7038 25.282 31.7037 -16.3251 GPRESSAVG: 2147200 29.5487 -10.7144 24.5428 -8.03295 -19.8308 29.6465 26.5938 32.7388 -15.3112 TIMING: 2147200 CPU: 6860.93, 0.00314884/step Wall: 6860.93, 0.00314884/step, 2.49528 hours remaining, 234.468750 MB of memory in use. ENERGY: 2147200 4080.5882 20623.8524 14487.7051 221.1746 -203491.7113 2378.9324 0.0000 0.0000 51935.1639 -109764.2948 298.4721 -161699.4587 -109407.8768 298.8290 -159.9335 -132.2089 762466.4884 -1.9313 -1.8644 PRESSURE: 2147400 49.4098 6.56361 190.988 6.56344 154.457 51.4378 190.987 51.4383 424.359 GPRESSURE: 2147400 81.599 -4.92109 49.5933 84.2084 177.979 17.0187 283.301 45.7966 472.47 PRESSAVG: 2147400 -37.6963 -29.7524 21.0753 -29.7524 17.7576 39.6165 21.0753 39.6164 8.79473 GPRESSAVG: 2147400 -38.3868 -29.2612 21.9439 -28.7748 19.3897 41.0461 19.4977 40.6017 8.15055 TIMING: 2147400 CPU: 6861.56, 0.00313534/step Wall: 6861.56, 0.00313534/step, 2.48441 hours remaining, 234.468750 MB of memory in use. ENERGY: 2147400 3928.4059 20561.5087 14471.0463 235.9962 -203776.7469 2830.1022 0.0000 0.0000 52279.1143 -109470.5732 300.4488 -161749.6875 -109102.0739 299.0691 209.4084 244.0160 761939.2352 -3.7146 -3.6155 PRESSURE: 2147600 -16.8849 -40.736 89.5731 -40.7364 -36.1542 -114.318 89.5732 -114.318 165.196 GPRESSURE: 2147600 -13.9559 31.7188 147.326 -73.9567 93.3324 -179.542 13.4622 -84.1104 129.91 PRESSAVG: 2147600 18.0341 -15.1378 -4.53446 -15.1378 -59.6757 15.2532 -4.53443 15.2532 -6.60708 GPRESSAVG: 2147600 18.1244 -12.826 -6.87304 -19.2188 -60.6122 14.3453 -3.13553 13.898 -5.87203 TIMING: 2147600 CPU: 6862.19, 0.00314723/step Wall: 6862.19, 0.00314723/step, 2.49366 hours remaining, 234.468750 MB of memory in use. ENERGY: 2147600 3983.3538 20564.5167 14496.5531 252.8978 -203753.9442 2775.8478 0.0000 0.0000 52165.7593 -109515.0158 299.7973 -161680.7751 -109145.3937 299.7485 37.3858 69.7620 760181.8747 -16.0829 -16.1200 PRESSURE: 2147800 -544.035 125.437 246.162 125.437 -539.053 -98.2903 246.163 -98.2902 5.56816 GPRESSURE: 2147800 -445.55 182.942 215.879 135.094 -442.946 -69.5086 373.95 -13.7786 -100.606 PRESSAVG: 2147800 -34.1291 -46.4522 8.75064 -46.4522 78.0199 -5.1422 8.7506 -5.14223 30.1074 GPRESSAVG: 2147800 -34.6481 -48.3767 9.43146 -42.9565 78.5657 -2.67141 9.92156 -4.87004 30.1751 TIMING: 2147800 CPU: 6862.82, 0.0031391/step Wall: 6862.82, 0.0031391/step, 2.48704 hours remaining, 234.468750 MB of memory in use. ENERGY: 2147800 3975.9512 20716.0826 14540.4401 244.8127 -203293.5258 2282.5814 0.0000 0.0000 52048.6919 -109484.9660 299.1245 -161533.6579 -109117.6087 299.7988 -359.1733 -329.7008 761793.0403 24.6661 24.6976 PRESSURE: 2148000 -92.9968 109.826 -88.796 109.826 -214.403 41.9697 -88.796 41.97 26.0014 GPRESSURE: 2148000 -121.548 -23.1144 -52.9985 30.6676 -75.4382 -51.8226 -20.3002 114.675 -14.6387 PRESSAVG: 2148000 3.91068 -12.7872 44.5571 -12.7872 16.9041 21.8753 44.5571 21.8754 -14.5642 GPRESSAVG: 2148000 3.90941 -11.3648 46.1675 -16.2043 16.7273 19.5187 43.5021 21.9285 -14.8144 TIMING: 2148000 CPU: 6863.45, 0.0031358/step Wall: 6863.45, 0.0031358/step, 2.48425 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2148000 4031.5623 20593.7361 14493.2335 246.0716 -203597.3887 2393.5073 0.0000 0.0000 52156.4196 -109682.8584 299.7437 -161839.2779 -109330.3656 299.5303 -93.7995 -70.5417 759792.6064 2.0835 1.9408 PRESSURE: 2148200 36.5746 -1.3532 33.2859 -1.35299 184.531 40.8064 33.2859 40.8063 170.319 GPRESSURE: 2148200 154.643 4.47226 9.33133 15.816 149.079 -0.108694 -12.8938 -29.4263 185.419 PRESSAVG: 2148200 13.7621 -28.7854 14.9107 -28.7854 -49.0064 -8.09037 14.9107 -8.09032 22.8229 GPRESSAVG: 2148200 14.0613 -29.1768 12.805 -26.7365 -49.3741 -5.93179 13.5252 -7.13071 22.8124 TIMING: 2148200 CPU: 6864.07, 0.00313923/step Wall: 6864.07, 0.00313923/step, 2.48679 hours remaining, 234.468750 MB of memory in use. ENERGY: 2148200 4003.3661 20529.2204 14532.2249 241.6310 -204401.6688 3146.4511 0.0000 0.0000 52326.0235 -109622.7518 300.7184 -161948.7753 -109258.9792 299.1253 130.4750 163.0470 760550.1497 -4.1405 -4.1668 LDB: ============= START OF LOAD BALANCING ============== 6876.49 LDB: ============== END OF LOAD BALANCING =============== 6876.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6876.5 LDB: ============= START OF LOAD BALANCING ============== 6876.81 LDB: Largest compute 7074 load 0.035287 is 18.1% of average load 0.195432 LDB: Average compute 0.004421 is 2.3% of average load 0.195432 LDB: TIME 6876.81 LOAD: AVG 0.195432 MAX 0.21552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.234 MB LDB: TIME 6876.81 LOAD: AVG 0.195432 MAX 0.21552 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 6876.81 LOAD: AVG 0.195432 MAX 0.21552 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 6876.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6876.82 PRESSURE: 2148400 134.142 302.932 78.7672 302.932 172.302 -388.149 78.7671 -388.149 149.505 GPRESSURE: 2148400 50.9497 194.743 93.5786 273.712 323.66 -375.887 148.967 -328.748 163.901 PRESSAVG: 2148400 -14.3393 36.0017 77.0818 36.0017 -9.32114 41.7364 77.0819 41.7364 14.3318 GPRESSAVG: 2148400 -14.9528 33.2549 77.2822 36.1768 -8.71178 40.5133 77.8868 40.9506 13.8218 TIMING: 2148400 CPU: 6864.72, 0.0032107/step Wall: 6864.72, 0.0032107/step, 2.54323 hours remaining, 232.210938 MB of memory in use. ENERGY: 2148400 3972.2014 20663.5321 14452.4729 242.5225 -203880.9730 2875.2025 0.0000 0.0000 52017.1162 -109657.9254 298.9431 -161675.0416 -109306.5811 299.0272 151.9832 179.5034 761181.8242 -3.1095 -3.2809 PRESSURE: 2148600 477.524 -75.1099 157.428 -75.1094 120.483 -226.881 157.427 -226.882 88.2619 GPRESSURE: 2148600 470.585 -84.7498 53.2582 28.8236 161.942 -236.095 106.399 -330.953 138.902 PRESSAVG: 2148600 28.6055 -22.2791 27.0196 -22.2791 -41.6137 -23.3166 27.0196 -23.3166 -4.99028 GPRESSAVG: 2148600 28.8153 -20.4055 28.2138 -23.2208 -42.4981 -23.3193 25.8882 -25.7717 -4.078 TIMING: 2148600 CPU: 6865.35, 0.0031538/step Wall: 6865.35, 0.0031538/step, 2.49799 hours remaining, 232.414062 MB of memory in use. ENERGY: 2148600 3901.9874 20795.8710 14434.4610 274.6167 -203462.0542 2537.2814 0.0000 0.0000 52049.2802 -109468.5566 299.1279 -161517.8367 -109105.0205 299.1430 228.7566 257.1427 760077.9995 -5.9995 -5.9202 PRESSURE: 2148800 -49.0585 -143.272 -177.333 -143.271 247.29 -46.6613 -177.333 -46.6606 291.934 GPRESSURE: 2148800 61.5957 -108.245 -160.74 -57.3309 227.272 13.1383 -233.422 -19.3909 279.854 PRESSAVG: 2148800 10.5114 9.64415 34.8857 9.64426 -44.2815 19.1155 34.8857 19.1154 -9.12009 GPRESSAVG: 2148800 11.5318 10.1528 34.9421 9.7868 -44.9427 18.7654 36.3937 21.2604 -9.47978 TIMING: 2148800 CPU: 6865.97, 0.0031242/step Wall: 6865.97, 0.0031242/step, 2.47436 hours remaining, 232.414062 MB of memory in use. ENERGY: 2148800 3938.2191 20452.1078 14535.3852 243.8604 -203509.5586 2696.1467 0.0000 0.0000 52303.3117 -109340.5276 300.5879 -161643.8393 -108966.7686 299.2266 163.3885 189.5738 759790.8533 -14.2967 -14.2969 PRESSURE: 2149000 45.8166 343.366 -77.6326 343.366 -578.691 149.08 -77.6328 149.08 16.8642 GPRESSURE: 2149000 68.9433 327.24 -12.845 255.889 -483.487 41.0278 -95.4379 172.998 -9.5245 PRESSAVG: 2149000 93.4944 -13.9641 5.60393 -13.9641 -72.9129 -18.1214 5.60395 -18.1214 4.82086 GPRESSAVG: 2149000 92.4987 -12.3185 6.94148 -13.2881 -71.9827 -16.8337 4.61804 -17.9624 5.45514 TIMING: 2149000 CPU: 6866.6, 0.00315336/step Wall: 6866.6, 0.00315336/step, 2.49729 hours remaining, 232.414062 MB of memory in use. ENERGY: 2149000 3980.2764 20583.2007 14499.2253 251.2170 -203440.9118 2606.1509 0.0000 0.0000 52164.1418 -109356.6997 299.7880 -161520.8415 -108992.3485 299.5608 -172.0034 -141.3560 761427.3327 8.4675 8.6570 PRESSURE: 2149200 130.042 -186.493 10.1336 -186.493 -249.546 -29.9566 10.134 -29.9568 28.1963 GPRESSURE: 2149200 178.824 -127.921 26.146 -240.111 -217.792 -0.519615 -97.1042 13.2209 48.3242 PRESSAVG: 2149200 58.6266 -13.5563 -5.4179 -13.5564 -56.1299 33.596 -5.4179 33.596 16.0593 GPRESSAVG: 2149200 58.9924 -14.4618 -7.40765 -13.9672 -56.1567 33.9686 -3.22505 33.7195 15.6381 TIMING: 2149200 CPU: 6867.23, 0.00314006/step Wall: 6867.23, 0.00314006/step, 2.48658 hours remaining, 232.414062 MB of memory in use. ENERGY: 2149200 4001.4305 20561.3301 14557.8972 242.2727 -203369.1807 2795.5016 0.0000 0.0000 51855.5552 -109355.1933 298.0146 -161210.7485 -108993.4025 299.4101 -30.4360 3.1187 760747.4248 6.1853 6.1580 PRESSURE: 2149400 90.2866 238.975 -24.1534 238.975 368.83 -155.777 -24.1533 -155.778 44.9185 GPRESSURE: 2149400 139.578 130.509 -99.9292 262.791 321.853 -65.9927 31.244 -235.849 141.163 PRESSAVG: 2149400 63.3572 14.547 -67.5965 14.547 30.5182 -41.6821 -67.5965 -41.682 -24.3335 GPRESSAVG: 2149400 63.1228 16.0537 -67.5727 13.6141 30.9737 -42.4013 -68.596 -41.9271 -24.5796 TIMING: 2149400 CPU: 6867.86, 0.0031321/step Wall: 6867.86, 0.0031321/step, 2.4801 hours remaining, 232.414062 MB of memory in use. ENERGY: 2149400 4011.0738 20466.6542 14473.9370 238.9805 -203743.2367 2899.7891 0.0000 0.0000 52296.5562 -109356.2458 300.5490 -161652.8021 -108998.8640 299.3230 168.0115 200.8644 759902.4691 23.1807 23.1723 PRESSURE: 2149600 441.76 213.381 132.937 213.383 247.369 158.909 132.936 158.908 105.492 GPRESSURE: 2149600 329.769 167.036 70.1311 221.321 329.644 71.1824 93.7315 251.235 200.591 PRESSAVG: 2149600 3.08904 4.65031 -16.0064 4.6502 -23.4507 -57.0759 -16.0064 -57.0759 27.6324 GPRESSAVG: 2149600 3.84341 2.57884 -15.7553 5.04791 -24.457 -56.5761 -16.2032 -58.0183 27.9578 TIMING: 2149600 CPU: 6868.48, 0.0031319/step Wall: 6868.48, 0.0031319/step, 2.47977 hours remaining, 232.414062 MB of memory in use. ENERGY: 2149600 3984.0053 20535.8366 14435.4476 221.6212 -203370.3867 2716.8190 0.0000 0.0000 51995.2737 -109481.3833 298.8176 -161476.6570 -109120.8450 299.4929 264.8734 286.6679 760540.7026 2.4236 2.4481 PRESSURE: 2149800 -151.264 149.503 -113.827 149.502 -17.8699 17.1143 -113.827 17.1153 217.421 GPRESSURE: 2149800 -116.8 242.945 -82.8883 210.173 17.7515 43.6621 -129.287 44.9183 235.536 PRESSAVG: 2149800 9.63771 0.917843 18.157 0.91788 58.4776 -44.5017 18.1569 -44.5017 -13.4507 GPRESSAVG: 2149800 9.63989 1.38756 18.5226 0.0292469 57.9443 -42.5987 18.3181 -41.7634 -12.9676 TIMING: 2149800 CPU: 6869.11, 0.00314988/step Wall: 6869.11, 0.00314988/step, 2.49383 hours remaining, 232.414062 MB of memory in use. ENERGY: 2149800 3995.3863 20425.2037 14487.5021 233.3670 -203491.0925 2765.6507 0.0000 0.0000 52021.1150 -109562.8676 298.9661 -161583.9827 -109195.8821 298.7508 16.0956 45.4958 760560.5804 18.2215 18.2055 PRESSURE: 2150000 138.663 -160.023 196.882 -160.022 -62.8393 -147.387 196.883 -147.387 -146.335 GPRESSURE: 2150000 135.726 -77.8834 236.962 -258.081 -4.91071 -173.839 273.259 -152.224 -111.881 PRESSAVG: 2150000 32.746 -10.1842 10.0897 -10.1842 -38.2836 -30.2544 10.0897 -30.2544 14.1083 GPRESSAVG: 2150000 31.6043 -11.3084 10.904 -7.53501 -36.9765 -33.3324 11.2495 -32.7894 14.2374 TIMING: 2150000 CPU: 6869.74, 0.00316081/step Wall: 6869.74, 0.00316081/step, 2.50231 hours remaining, 232.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2150000 3976.5807 20553.3988 14448.7653 244.7847 -203636.3117 2902.6791 0.0000 0.0000 51917.2814 -109592.8216 298.3693 -161510.1030 -109231.6232 298.9646 -23.5038 6.3114 761246.8259 2.8569 2.9551 PRESSURE: 2150200 -274.521 87.5891 -103.604 87.5882 -325.527 240.695 -103.604 240.695 -492.803 GPRESSURE: 2150200 -259.46 39.5705 -123.218 15.5324 -252.535 260.919 43.7131 88.6955 -488.534 PRESSAVG: 2150200 0.834216 -8.04377 36.8617 -8.04367 38.2754 16.1213 36.8617 16.1213 -8.47578 GPRESSAVG: 2150200 1.46804 -8.10183 37.4442 -9.31049 37.0432 17.8106 36.6335 14.866 -7.87539 TIMING: 2150200 CPU: 6870.37, 0.00313943/step Wall: 6870.37, 0.00313943/step, 2.4852 hours remaining, 232.414062 MB of memory in use. ENERGY: 2150200 3953.3326 20406.4439 14511.0136 255.2880 -203242.2996 2470.2977 0.0000 0.0000 52030.5164 -109615.4073 299.0201 -161645.9238 -109261.7802 298.8992 -364.2837 -333.5098 762929.2753 10.2113 10.2120 PRESSURE: 2150400 -1.3668 -52.4654 -9.65304 -52.4658 -387.946 -32.1869 -9.65209 -32.187 55.0186 GPRESSURE: 2150400 86.4035 6.47391 -93.2237 -7.77417 -426.895 19.6968 -22.1677 21.6086 84.8678 PRESSAVG: 2150400 5.60639 19.376 -15.1614 19.376 -1.20171 -0.513601 -15.1614 -0.513683 -3.50021 GPRESSAVG: 2150400 5.11364 20.5805 -15.92 18.3139 0.0645899 -1.59075 -18.3144 0.0684079 -4.0241 TIMING: 2150400 CPU: 6871, 0.00314872/step Wall: 6871, 0.00314872/step, 2.49239 hours remaining, 232.414062 MB of memory in use. ENERGY: 2150400 3917.2446 20615.1815 14449.3207 248.0404 -203590.2937 2668.9332 0.0000 0.0000 51952.0581 -109739.5153 298.5692 -161691.5734 -109377.1315 298.8011 -111.4314 -85.2080 762707.3124 0.3015 0.3847 PRESSURE: 2150600 241.263 -332.313 -84.8049 -332.313 161.377 -82.3314 -84.8044 -82.3307 106.364 GPRESSURE: 2150600 266.053 -150.746 -54.1109 -308.455 252.677 -9.90041 -103.631 24.5882 98.6549 PRESSAVG: 2150600 -28.8309 9.59029 -9.53921 9.59029 15.6911 -3.84682 -9.53915 -3.84672 16.7552 GPRESSAVG: 2150600 -28.7065 10.9866 -10.3909 10.3604 15.6123 -3.12415 -6.26155 -2.61015 17.4709 TIMING: 2150600 CPU: 6871.63, 0.00313133/step Wall: 6871.63, 0.00313133/step, 2.47845 hours remaining, 232.414062 MB of memory in use. ENERGY: 2150600 3998.3689 20510.4167 14403.1547 255.2044 -203466.3441 2685.9480 0.0000 0.0000 51812.2541 -109800.9973 297.7657 -161613.2514 -109450.1765 298.3609 169.6681 205.7948 763406.1557 1.2052 1.4589 PRESSURE: 2150800 87.7427 32.5353 278.269 32.5358 -428.02 -220.279 278.269 -220.28 -199.089 GPRESSURE: 2150800 125.745 -28.6615 303.19 -29.4915 -319.038 -223.688 209.681 -137.62 -244.661 PRESSAVG: 2150800 -46.3938 -67.7475 -31.0525 -67.7475 -43.7575 -23.3439 -31.0525 -23.344 9.83947 GPRESSAVG: 2150800 -46.4031 -69.0263 -29.5893 -66.3243 -43.0246 -24.59 -31.2744 -24.2584 9.74513 TIMING: 2150800 CPU: 6872.26, 0.00314794/step Wall: 6872.26, 0.00314794/step, 2.49142 hours remaining, 232.414062 MB of memory in use. ENERGY: 2150800 3999.3343 20474.3664 14396.4279 236.2684 -203361.1012 2520.6289 0.0000 0.0000 51835.1213 -109898.9540 297.8972 -161734.0753 -109535.2871 298.3155 -179.7888 -145.9848 763989.4441 -26.7706 -26.5609 PRESSURE: 2151000 -188.672 4.30909 -109.175 4.30821 -205.943 -5.88155 -109.175 -5.88128 24.7419 GPRESSURE: 2151000 -137.731 15.8472 -141.285 61.4642 -212.498 -7.75799 35.5042 -20.1857 66.2061 PRESSAVG: 2151000 20.4637 -9.45087 27.4563 -9.45087 -55.3388 -19.8686 27.4563 -19.8685 -13.4797 GPRESSAVG: 2151000 21.5277 -11.6832 26.8053 -9.76038 -54.228 -17.3849 27.17 -22.7699 -14.6872 TIMING: 2151000 CPU: 6872.89, 0.0031655/step Wall: 6872.89, 0.0031655/step, 2.50514 hours remaining, 232.414062 MB of memory in use. ENERGY: 2151000 4036.9785 20462.6165 14459.4828 257.3620 -203719.0733 2685.8047 0.0000 0.0000 51980.8002 -109836.0286 298.7344 -161816.8288 -109466.7576 298.3898 -123.2910 -94.6743 761534.2452 -16.1183 -15.7958 PRESSURE: 2151200 -248.211 -113.153 -160.961 -113.153 53.5514 6.77919 -160.961 6.77958 40.941 GPRESSURE: 2151200 -248.881 -112.147 -198.825 -119.947 51.7619 -9.4118 -86.3944 -32.501 129.564 PRESSAVG: 2151200 4.48249 -28.1905 -19.865 -28.1905 21.028 -30.2964 -19.8651 -30.2964 7.84742 GPRESSAVG: 2151200 4.14687 -27.2541 -19.6167 -28.7213 20.0158 -32.0202 -20.6896 -27.7007 9.07055 TIMING: 2151200 CPU: 6873.52, 0.00315736/step Wall: 6873.52, 0.00315736/step, 2.49852 hours remaining, 232.414062 MB of memory in use. ENERGY: 2151200 3958.8308 20498.8977 14533.8735 244.0822 -203608.9780 2532.0649 0.0000 0.0000 52028.5340 -109812.6949 299.0087 -161841.2289 -109464.2399 298.4326 -51.2395 -22.5182 761346.3692 11.1193 11.0777 PRESSURE: 2151400 -63.8114 206.662 -146.039 206.663 89.8718 168.306 -146.038 168.305 55.3832 GPRESSURE: 2151400 7.78853 240.768 -93.7927 227.132 184.919 219.896 -138.36 52.0592 -15.2974 PRESSAVG: 2151400 1.62958 70.139 15.1838 70.1389 1.69141 -5.06789 15.1838 -5.06793 3.33675 GPRESSAVG: 2151400 1.53557 71.2909 14.5662 70.8249 2.05553 -5.36093 16.9683 -4.2687 3.38837 TIMING: 2151400 CPU: 6874.15, 0.00315387/step Wall: 6874.15, 0.00315387/step, 2.49559 hours remaining, 232.414062 MB of memory in use. ENERGY: 2151400 4021.3396 20603.3597 14441.5144 247.3823 -203774.8226 2866.0829 0.0000 0.0000 51776.3337 -109818.8101 297.5593 -161595.1437 -109453.3381 298.3339 27.1479 59.1368 761861.0462 2.2192 2.3265 PRESSURE: 2151600 173.295 185.531 -267.993 185.532 -143.229 122.767 -267.992 122.766 335.697 GPRESSURE: 2151600 164.566 197.531 -241.818 132.614 -128.175 91.3854 -284.53 147.451 403.307 PRESSAVG: 2151600 16.2859 59.6473 31.6493 59.6473 -39.0802 7.71925 31.6493 7.7193 22.5449 GPRESSAVG: 2151600 16.9294 57.5923 33.4964 59.4324 -38.3112 7.40846 30.0348 8.03267 20.6803 TIMING: 2151600 CPU: 6874.78, 0.00314427/step Wall: 6874.78, 0.00314427/step, 2.48781 hours remaining, 232.414062 MB of memory in use. ENERGY: 2151600 3978.3922 20491.0285 14461.2141 257.5050 -203934.5857 2759.7449 0.0000 0.0000 52133.6032 -109853.0979 299.6125 -161986.7010 -109496.9112 298.6423 121.9208 146.5663 760412.4423 -0.0831 -0.2338 PRESSURE: 2151800 4.08383 94.232 -74.3061 94.2317 -364.647 -23.4395 -74.3056 -23.4393 153.676 GPRESSURE: 2151800 40.2314 97.0484 -3.8006 115.622 -319.534 -28.6616 -76.7715 18.5311 163.14 PRESSAVG: 2151800 50.3651 24.1767 -56.1046 24.1767 -63.7583 1.48577 -56.1045 1.48572 -26.0718 GPRESSAVG: 2151800 49.7815 26.4528 -58.3389 23.1825 -65.0241 0.968938 -54.523 1.64443 -24.2394 TIMING: 2151800 CPU: 6875.41, 0.0031418/step Wall: 6875.41, 0.0031418/step, 2.48569 hours remaining, 232.414062 MB of memory in use. ENERGY: 2151800 4026.8557 20423.2624 14478.9795 250.1093 -203808.7834 2861.3830 0.0000 0.0000 51789.0732 -109979.1204 297.6325 -161768.1936 -109620.1572 298.9937 -68.9625 -38.7208 760219.1002 -13.1550 -13.1607 PRESSURE: 2152000 36.8998 -55.1872 120.258 -55.1858 -129.26 81.9065 120.257 81.9059 132.884 GPRESSURE: 2152000 140.7 15.4962 24.2293 -23.2295 -117.496 67.3837 151.611 24.1006 102.066 PRESSAVG: 2152000 23.0198 -24.2893 -14.3683 -24.2894 -21.5247 20.1701 -14.3683 20.1701 27.4854 GPRESSAVG: 2152000 23.7068 -26.0274 -12.3828 -22.7309 -21.6427 22.7103 -17.7598 18.5921 26.1207 TIMING: 2152000 CPU: 6876.04, 0.00314215/step Wall: 6876.04, 0.00314215/step, 2.48579 hours remaining, 232.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2152000 4053.1722 20527.8807 14466.9344 241.0927 -203625.1810 2842.5699 0.0000 0.0000 51699.5250 -109794.0060 297.1179 -161493.5310 -109432.2725 298.2413 13.5079 41.7569 760625.7417 9.6602 9.3949 PRESSURE: 2152200 169.882 -174.39 -194.951 -174.391 -54.7918 182.913 -194.951 182.912 -447.913 GPRESSURE: 2152200 192.911 -122.408 -152.681 -98.258 -34.2935 184.874 -110.592 246.054 -402.91 PRESSAVG: 2152200 16.5178 -35.7228 3.12019 -35.7228 10.5337 45.3333 3.1202 45.3332 24.3128 GPRESSAVG: 2152200 16.2792 -36.1465 1.80844 -36.8537 9.82874 44.7024 4.78103 45.433 25.3873 TIMING: 2152200 CPU: 6876.67, 0.00315352/step Wall: 6876.67, 0.00315352/step, 2.49461 hours remaining, 232.414062 MB of memory in use. ENERGY: 2152200 4007.2064 20555.8225 14496.8839 236.2484 -203677.7814 2746.6588 0.0000 0.0000 51958.9069 -109676.0546 298.6086 -161634.9615 -109320.5208 298.9585 -110.9408 -81.4310 760742.4027 17.1214 17.1651 LDB: ============= START OF LOAD BALANCING ============== 6889.09 LDB: ============== END OF LOAD BALANCING =============== 6889.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.09 LDB: ============= START OF LOAD BALANCING ============== 6889.41 LDB: Largest compute 7074 load 0.034968 is 17.9% of average load 0.195462 LDB: Average compute 0.004399 is 2.3% of average load 0.195462 LDB: TIME 6889.41 LOAD: AVG 0.195462 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.492 MB LDB: TIME 6889.41 LOAD: AVG 0.195462 MAX 0.215231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.492 MB LDB: TIME 6889.41 LOAD: AVG 0.195462 MAX 0.215231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.492 MB LDB: ============== END OF LOAD BALANCING =============== 6889.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.42 PRESSURE: 2152400 177.134 -23.1968 -27.6206 -23.1969 -192.778 -13.4065 -27.6212 -13.4054 -74.7167 GPRESSURE: 2152400 224.387 -224.209 40.8564 -109.247 -196.519 51.0423 -108.317 -121.48 -51.0423 PRESSAVG: 2152400 3.34549 27.6613 5.73815 27.6613 6.7176 37.6782 5.73809 37.6783 31.3593 GPRESSAVG: 2152400 4.4919 29.0536 5.60625 26.6572 6.04755 38.1957 5.60199 38.1939 30.2298 TIMING: 2152400 CPU: 6877.31, 0.00321931/step Wall: 6877.31, 0.00321931/step, 2.54647 hours remaining, 235.105469 MB of memory in use. ENERGY: 2152400 3924.4617 20471.3963 14544.6966 249.2663 -203581.7037 2698.1621 0.0000 0.0000 51977.7021 -109716.0186 298.7166 -161693.7207 -109355.7842 298.9537 -30.1203 -7.7250 760994.5290 13.8075 13.5897 PRESSURE: 2152600 55.83 38.3106 42.3608 38.3104 231.958 -234.951 42.36 -234.951 344.342 GPRESSURE: 2152600 39.3865 33.2193 -96.5972 153.899 279.464 -146.667 210.039 -101.562 399.287 PRESSAVG: 2152600 46.2303 6.45024 8.06938 6.45023 -27.5752 -36.16 8.06934 -36.16 4.02427 GPRESSAVG: 2152600 45.0609 5.34339 8.83841 7.48714 -27.2128 -36.5942 11.1102 -34.3301 4.43568 TIMING: 2152600 CPU: 6877.94, 0.00313892/step Wall: 6877.94, 0.00313892/step, 2.48271 hours remaining, 235.308594 MB of memory in use. ENERGY: 2152600 3962.6019 20701.2804 14500.2142 264.4821 -203832.3888 3119.3674 0.0000 0.0000 51763.0146 -109521.4282 297.4828 -161284.4428 -109172.4703 299.3457 210.7101 239.3790 760743.3489 7.5598 7.4279 PRESSURE: 2152800 -93.0716 11.2827 70.6157 11.2826 -43.4382 -268.944 70.6165 -268.944 166.581 GPRESSURE: 2152800 8.01401 101.723 -61.3375 -33.3688 -21.2685 -268.69 139.153 -315.994 127.969 PRESSAVG: 2152800 34.5524 41.1459 41.6537 41.1459 -25.2657 -33.9328 41.6537 -33.9327 -4.12046 GPRESSAVG: 2152800 35.2689 42.4361 40.2587 40.9871 -25.2724 -35.0527 41.284 -33.722 -5.21357 TIMING: 2152800 CPU: 6878.57, 0.00315246/step Wall: 6878.57, 0.00315246/step, 2.49325 hours remaining, 235.308594 MB of memory in use. ENERGY: 2152800 4001.3114 20555.7876 14516.2492 249.7559 -203793.2934 2809.4631 0.0000 0.0000 52294.7305 -109365.9957 300.5385 -161660.7262 -109005.4796 299.4864 10.0239 38.2381 760497.0930 1.7221 1.5943 PRESSURE: 2153000 -19.1737 179.405 -44.5008 179.405 -83.6045 28.5433 -44.5008 28.544 -480.802 GPRESSURE: 2153000 22.8669 129.34 -28.339 91.0749 -3.60905 81.9733 -21.7636 62.2604 -500.702 PRESSAVG: 2153000 46.3033 25.8037 -18.4208 25.8037 -28.7149 -0.130419 -18.4207 -0.130504 -25.4825 GPRESSAVG: 2153000 45.5781 25.0971 -16.8042 25.7909 -28.2328 0.580646 -21.3509 -2.34885 -25.3949 TIMING: 2153000 CPU: 6879.2, 0.00316121/step Wall: 6879.2, 0.00316121/step, 2.49999 hours remaining, 235.308594 MB of memory in use. ENERGY: 2153000 4023.3544 20545.9251 14465.8740 223.5646 -203584.4556 2795.2258 0.0000 0.0000 52281.7335 -109248.7782 300.4638 -161530.5117 -108884.1711 299.3435 -194.5266 -160.4814 761542.5180 -2.6314 -2.6832 PRESSURE: 2153200 26.3737 -12.2782 -15.7176 -12.2779 -150.383 -129.148 -15.7169 -129.148 -124.863 GPRESSURE: 2153200 93.9285 -21.6592 3.13801 -80.8138 -150.366 4.12537 73.1761 -127.53 -101.323 PRESSAVG: 2153200 4.94831 -17.7232 54.8309 -17.7232 26.9815 -10.1713 54.831 -10.1712 -32.2689 GPRESSAVG: 2153200 4.77302 -16.7782 53.9211 -16.8673 26.9158 -9.2794 58.3018 -10.1865 -32.3178 TIMING: 2153200 CPU: 6879.84, 0.00319193/step Wall: 6879.84, 0.00319193/step, 2.52411 hours remaining, 235.308594 MB of memory in use. ENERGY: 2153200 3892.7268 20562.9486 14470.7247 227.3593 -203244.1875 2631.3270 0.0000 0.0000 52117.6559 -109341.4453 299.5209 -161459.1012 -108979.3283 299.4237 -82.9574 -52.5870 761644.2536 -0.1131 -0.2096 PRESSURE: 2153400 12.3469 -135.6 130.214 -135.6 413.969 -139.73 130.213 -139.73 367.117 GPRESSURE: 2153400 24.2649 -159.695 75.0955 -7.89481 412.394 -77.8065 6.46929 -172.592 422.994 PRESSAVG: 2153400 -1.73239 20.6582 -44.1158 20.6581 -7.93849 -37.9961 -44.1158 -37.9961 8.00395 GPRESSAVG: 2153400 -1.95369 18.7535 -43.9695 19.3543 -7.15271 -37.6242 -45.9942 -39.7133 7.37457 TIMING: 2153400 CPU: 6880.48, 0.00316376/step Wall: 6880.48, 0.00316376/step, 2.50166 hours remaining, 235.308594 MB of memory in use. ENERGY: 2153400 3947.0356 20487.0957 14557.5572 266.8120 -203506.4085 2824.7596 0.0000 0.0000 52304.4393 -109118.7090 300.5943 -161423.1482 -108753.6335 299.7103 264.4776 286.5507 761853.7831 -0.5556 -0.5773 PRESSURE: 2153600 -279.313 17.0422 122.509 17.043 221.924 -64.7968 122.509 -64.7964 337.984 GPRESSURE: 2153600 -242.822 85.3421 45.4373 80.0866 260.54 -7.52817 112.279 -298.11 338.453 PRESSAVG: 2153600 47.1571 62.0731 -29.8164 62.0731 -51.7309 -67.7809 -29.8165 -67.7809 25.1148 GPRESSAVG: 2153600 47.0221 64.2325 -28.4786 63.3466 -53.3437 -68.7436 -32.8287 -66.291 26.2969 TIMING: 2153600 CPU: 6881.11, 0.00315649/step Wall: 6881.11, 0.00315649/step, 2.49573 hours remaining, 235.308594 MB of memory in use. ENERGY: 2153600 4004.8343 20549.4567 14485.3125 230.7753 -203108.5819 2452.9342 0.0000 0.0000 52463.6293 -108921.6396 301.5092 -161385.2689 -108558.6982 300.5523 93.5316 118.7237 761568.4720 6.8470 6.6585 PRESSURE: 2153800 -78.1959 153.948 -13.9892 153.947 73.7737 55.9818 -13.9895 55.9818 -71.2349 GPRESSURE: 2153800 -60.0639 139.041 -52.5322 80.8939 119.531 119.35 19.7431 -7.81781 -48.2484 PRESSAVG: 2153800 2.49217 38.678 19.2803 38.678 15.4938 -32.2216 19.2804 -32.2217 14.4419 GPRESSAVG: 2153800 2.26021 38.4751 17.6025 37.2754 15.578 -30.8735 21.8602 -32.9743 14.9607 TIMING: 2153800 CPU: 6881.74, 0.00318457/step Wall: 6881.74, 0.00318457/step, 2.51776 hours remaining, 235.308594 MB of memory in use. ENERGY: 2153800 3956.4409 20639.8832 14457.0151 256.1448 -203315.0288 2613.7337 0.0000 0.0000 52181.0382 -109210.7730 299.8851 -161391.8111 -108850.5272 300.5673 -25.2191 3.7395 760346.8464 10.8093 10.9330 PRESSURE: 2154000 -130.015 -101.461 126.392 -101.461 -34.5807 -108.817 126.39 -108.817 -156.537 GPRESSURE: 2154000 -76.0995 -189.789 132.147 -49.2506 -21.7822 -87.9878 51.5688 -152.912 -131.916 PRESSAVG: 2154000 -11.8538 -35.1711 32.5896 -35.1711 -15.5454 -19.1075 32.5897 -19.1075 -6.2397 GPRESSAVG: 2154000 -12.4028 -36.1703 32.5385 -34.485 -14.4243 -20.6156 31.8985 -15.9362 -6.74774 TIMING: 2154000 CPU: 6882.38, 0.00317804/step Wall: 6882.38, 0.00317804/step, 2.51242 hours remaining, 235.308594 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: 2154000 4001.7676 20630.0124 14484.3663 246.6628 -203344.9652 2475.4599 0.0000 0.0000 52095.2311 -109411.4651 299.3920 -161506.6962 -109044.3762 299.6423 -107.0444 -76.5993 759839.1457 -11.2129 -11.1916 PRESSURE: 2154200 -278.437 -407.048 47.1643 -407.048 -205.536 -292.292 47.164 -292.293 56.8123 GPRESSURE: 2154200 -129.785 -384.457 -29.1934 -276.934 -217.233 -280.228 136.658 -194.937 -6.96817 PRESSAVG: 2154200 6.37703 25.1319 26.0022 25.1319 3.04557 24.5465 26.0022 24.5464 17.7324 GPRESSAVG: 2154200 9.15112 25.1694 25.8522 27.7231 1.41439 25.6494 26.6913 23.3725 16.3615 TIMING: 2154200 CPU: 6883.02, 0.00319212/step Wall: 6883.02, 0.00319212/step, 2.52337 hours remaining, 235.308594 MB of memory in use. ENERGY: 2154200 4079.2881 20546.9653 14422.3747 259.5008 -203203.4169 2155.3966 0.0000 0.0000 52326.0154 -109413.8760 300.7183 -161739.8914 -109047.6603 299.5092 -142.3871 -117.9956 760091.2900 9.0517 8.9757 PRESSURE: 2154400 -118.419 -264.602 -168.832 -264.602 -452.395 191.616 -168.832 191.616 -11.0927 GPRESSURE: 2154400 -86.9346 -190.64 -91.8531 -203.071 -353.989 242.71 -98.0193 147.651 -47.005 PRESSAVG: 2154400 -56.242 -23.6148 26.9015 -23.6148 -12.9584 -4.2194 26.9015 -4.21943 -22.0588 GPRESSAVG: 2154400 -57.6047 -23.0849 26.3561 -24.2234 -11.9192 -4.28643 27.0191 -5.43185 -21.3361 TIMING: 2154400 CPU: 6883.65, 0.00317462/step Wall: 6883.65, 0.00317462/step, 2.50936 hours remaining, 235.308594 MB of memory in use. ENERGY: 2154400 3989.9015 20648.2462 14448.6478 261.6516 -203151.5010 2249.2900 0.0000 0.0000 52243.1408 -109310.6231 300.2420 -161553.7639 -108938.7310 300.0970 -193.9688 -162.6427 761689.9158 -30.4197 -30.2867 PRESSURE: 2154600 150.582 91.1254 -159.196 91.125 147.23 44.1577 -159.196 44.157 25.2613 GPRESSURE: 2154600 177.362 26.7048 -95.3708 129.294 137.926 -36.0999 47.7305 -23.1314 72.7199 PRESSAVG: 2154600 15.6149 -27.4277 41.9985 -27.4277 -35.7174 -26.3193 41.9985 -26.3192 -2.22286 GPRESSAVG: 2154600 16.2258 -27.1639 42.7844 -29.0185 -37.0188 -25.7852 40.4515 -26.1115 -1.72055 TIMING: 2154600 CPU: 6884.29, 0.00316473/step Wall: 6884.29, 0.00316473/step, 2.50137 hours remaining, 235.308594 MB of memory in use. ENERGY: 2154600 3988.5742 20755.6086 14465.5457 229.1844 -203355.6472 2593.8782 0.0000 0.0000 52110.2569 -109212.5992 299.4784 -161322.8561 -108852.5325 299.8116 107.6912 129.3362 762090.4631 -7.4418 -7.5045 PRESSURE: 2154800 -75.2533 -47.841 75.6701 -47.8411 -42.9962 -208.492 75.6696 -208.492 14.4072 GPRESSURE: 2154800 -93.5125 -57.029 90.4037 -104.011 91.4579 -142.547 150.948 -214.551 -16.5092 PRESSAVG: 2154800 -4.58472 3.51125 11.026 3.51128 -12.8898 -55.7286 11.026 -55.7285 -12.7913 GPRESSAVG: 2154800 -5.8581 3.12243 10.6302 3.929 -12.4715 -55.4676 13.5288 -56.583 -12.2174 TIMING: 2154800 CPU: 6884.92, 0.00316942/step Wall: 6884.92, 0.00316942/step, 2.5049 hours remaining, 235.308594 MB of memory in use. ENERGY: 2154800 3985.9361 20385.9761 14439.7887 235.1362 -203011.6224 2393.0503 0.0000 0.0000 52101.3245 -109470.4106 299.4270 -161571.7350 -109105.2103 299.5159 -34.6141 -6.1879 763019.9222 -10.0886 -10.1823 PRESSURE: 2155000 -206.522 -7.29885 -132.373 -7.29781 -560.126 153.362 -132.373 153.361 -371.612 GPRESSURE: 2155000 -180.761 -9.67955 -177.575 27.0961 -510.967 201.64 -169.155 92.0939 -352.966 PRESSAVG: 2155000 54.3028 -3.01038 -40.8856 -3.01042 -31.1809 -16.0665 -40.8856 -16.0665 7.4829 GPRESSAVG: 2155000 55.4152 -3.988 -40.2078 -3.47384 -31.4112 -17.193 -41.6731 -12.7494 6.55729 TIMING: 2155000 CPU: 6885.55, 0.00316168/step Wall: 6885.55, 0.00316168/step, 2.4986 hours remaining, 235.308594 MB of memory in use. ENERGY: 2155000 4003.6236 20519.6834 14468.0351 254.4111 -203061.9923 2444.9623 0.0000 0.0000 52188.0991 -109183.1778 299.9257 -161371.2769 -108818.5203 299.6003 -379.4203 -348.2315 764956.5401 10.2016 10.1871 PRESSURE: 2155200 -30.9693 230.145 -9.98791 230.145 -52.2814 101.542 -9.98839 101.542 -160.02 GPRESSURE: 2155200 111.582 134.977 19.4964 224.086 -58.2427 87.3253 -50.4649 48.1677 -222.303 PRESSAVG: 2155200 37.7239 10.4587 -5.80624 10.4587 -52.2906 -29.029 -5.80627 -29.0289 -25.0034 GPRESSAVG: 2155200 36.6953 12.4214 -5.70813 11.6006 -51.703 -29.2259 -5.24624 -30.2537 -24.6952 TIMING: 2155200 CPU: 6886.18, 0.00314619/step Wall: 6886.18, 0.00314619/step, 2.48619 hours remaining, 235.308594 MB of memory in use. ENERGY: 2155200 3970.6897 20607.2259 14511.7268 241.8773 -203783.2393 2916.7054 0.0000 0.0000 52476.2028 -109058.8114 301.5815 -161535.0142 -108699.7883 300.1305 -81.0902 -56.3213 763957.7135 -13.1900 -13.2343 PRESSURE: 2155400 -101.179 -15.9745 48.6285 -15.9745 -266.171 -93.9301 48.6281 -93.9301 -28.3939 GPRESSURE: 2155400 -73.3678 35.3143 21.692 -150.938 -214.546 -84.2154 -147.925 -177.322 -51.0382 PRESSAVG: 2155400 -9.63784 -29.4691 -38.1509 -29.4691 -11.3634 -9.2157 -38.151 -9.21568 4.3043 GPRESSAVG: 2155400 -9.96321 -29.3943 -38.4769 -31.187 -11.2853 -9.39172 -37.9179 -10.2841 4.06876 TIMING: 2155400 CPU: 6886.81, 0.00313846/step Wall: 6886.81, 0.00313846/step, 2.4799 hours remaining, 235.308594 MB of memory in use. ENERGY: 2155400 3962.4745 20726.6595 14490.8369 240.4580 -203335.5125 2663.6976 0.0000 0.0000 52283.5872 -108967.7989 300.4745 -161251.3861 -108621.2910 300.5471 -131.9148 -112.9840 761221.6242 -5.5656 -5.7266 PRESSURE: 2155600 1.37869 -118.217 -148.042 -118.217 -205.973 40.1876 -148.043 40.1865 189.861 GPRESSURE: 2155600 109.086 -167.157 -40.1332 -100.183 -162.76 65.9189 -182.31 -21.3035 137.509 PRESSAVG: 2155600 76.8743 -38.5336 -46.1773 -38.5336 -70.9585 -62.0795 -46.1773 -62.0795 7.42424 GPRESSAVG: 2155600 78.1565 -40.1361 -44.9909 -40.1205 -71.2151 -61.1352 -47.2218 -62.0088 7.37565 TIMING: 2155600 CPU: 6887.43, 0.0031275/step Wall: 6887.43, 0.0031275/step, 2.47107 hours remaining, 235.308594 MB of memory in use. ENERGY: 2155600 3975.0186 20692.2044 14529.5895 248.2503 -203389.4592 2818.7724 0.0000 0.0000 52181.4118 -108944.2122 299.8873 -161125.6240 -108574.8580 300.6406 -4.9111 27.9450 762230.3744 4.4467 4.7724 PRESSURE: 2155800 143.964 -178.25 -52.0263 -178.25 12.8934 242.106 -52.0262 242.105 -104.098 GPRESSURE: 2155800 205.036 -64.9602 -86.7547 -31.833 18.4297 225.79 35.7868 145.421 -100.305 PRESSAVG: 2155800 -9.43413 -37.4368 -19.9236 -37.4368 -20.4362 -42.5924 -19.9236 -42.5924 -10.2897 GPRESSAVG: 2155800 -10.1014 -37.3975 -22.2171 -33.3548 -19.4628 -43.7855 -18.2882 -42.8211 -9.8257 TIMING: 2155800 CPU: 6888.06, 0.00313106/step Wall: 6888.06, 0.00313106/step, 2.47371 hours remaining, 235.308594 MB of memory in use. ENERGY: 2155800 3973.8689 20530.6589 14457.4952 225.5702 -202984.8104 2534.8663 0.0000 0.0000 52212.8272 -109049.5237 300.0678 -161262.3509 -108687.3393 300.1464 17.5864 41.0538 761556.4439 -13.3867 -13.1300 PRESSURE: 2156000 -140.825 101.583 -87.2252 101.583 68.5029 -255.611 -87.225 -255.611 10.5672 GPRESSURE: 2156000 -82.9169 124.914 -137.313 45.1626 49.9278 -150.312 -132.665 -322.037 46.3057 PRESSAVG: 2156000 49.4158 -55.4072 -48.7727 -55.4073 -25.6832 -40.586 -48.7727 -40.586 10.6424 GPRESSAVG: 2156000 50.504 -53.5954 -47.1979 -56.0848 -26.8211 -40.1531 -49.581 -41.5967 10.5208 TIMING: 2156000 CPU: 6888.69, 0.00313269/step Wall: 6888.69, 0.00313269/step, 2.47482 hours remaining, 235.308594 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: 2156000 4022.6731 20445.5971 14463.1207 241.8183 -204024.9744 3196.1999 0.0000 0.0000 52409.5781 -109245.9872 301.1986 -161655.5653 -108884.8039 300.1965 -20.5849 4.4389 761972.6014 11.4583 11.4012 PRESSURE: 2156200 175.929 -172.926 -10.6389 -172.927 -167.863 90.593 -10.6394 90.5919 163.527 GPRESSURE: 2156200 101.382 -238.365 -63.866 -122.819 -10.4368 68.7125 -35.8417 108.738 187.565 PRESSAVG: 2156200 72.7012 -24.0152 15.2958 -24.0152 -43.4564 -21.0957 15.2958 -21.0957 -3.39796 GPRESSAVG: 2156200 70.7607 -24.4114 13.3166 -25.5816 -42.4367 -21.9789 16.8176 -20.8081 -2.51449 TIMING: 2156200 CPU: 6889.31, 0.00313947/step Wall: 6889.31, 0.00313947/step, 2.48001 hours remaining, 235.308594 MB of memory in use. ENERGY: 2156200 4022.2673 20796.0831 14428.8245 240.8189 -203686.5338 2959.6732 0.0000 0.0000 52067.8464 -109171.0204 299.2346 -161238.8668 -108802.4832 300.1068 57.1977 92.8368 761588.5554 8.6156 8.6032 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 ============== 6902.05 LDB: Largest compute 7033 load 0.034241 is 17.5% of average load 0.195397 LDB: Average compute 0.004395 is 2.2% of average load 0.195397 LDB: TIME 6902.05 LOAD: AVG 0.195397 MAX 0.216828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 6902.05 LOAD: AVG 0.195397 MAX 0.216828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: TIME 6902.05 LOAD: AVG 0.195397 MAX 0.216828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: ============== END OF LOAD BALANCING =============== 6902.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6902.06 PRESSURE: 2156400 420.745 30.3212 -209.859 30.322 -313.948 -79.3351 -209.859 -79.335 171.765 GPRESSURE: 2156400 518.571 -4.58972 -167.937 1.81915 -321.919 -101.402 -144.443 -73.0042 155.815 PRESSAVG: 2156400 48.9608 -57.212 -11.515 -57.2119 -71.0055 26.7756 -11.515 26.7756 1.26274 GPRESSAVG: 2156400 49.1688 -57.7658 -10.3583 -57.5959 -71.5622 26.9012 -13.4934 27.7821 1.9118 TIMING: 2156400 CPU: 6889.95, 0.00319373/step Wall: 6889.95, 0.00319373/step, 2.52269 hours remaining, 234.328125 MB of memory in use. ENERGY: 2156400 3978.6656 20693.2082 14532.4054 254.8393 -203333.6923 2667.0102 0.0000 0.0000 52014.7239 -109192.8397 298.9293 -161207.5636 -108832.7286 300.0505 92.8542 117.4891 760633.9576 -6.9273 -6.8272 PRESSURE: 2156600 -288.362 15.6395 -133.969 15.6388 85.0963 -123.072 -133.969 -123.072 -41.9389 GPRESSURE: 2156600 -256.276 5.5237 -182.105 56.3638 150.666 -49.5892 -175.177 -35.0516 -60.6284 PRESSAVG: 2156600 51.5169 -34.6642 -53.1233 -34.6642 -35.2078 9.31529 -53.1234 9.3154 -4.3031 GPRESSAVG: 2156600 52.086 -35.0426 -52.5923 -33.7324 -33.6316 9.66761 -54.6546 8.85279 -5.69022 TIMING: 2156600 CPU: 6890.58, 0.00313846/step Wall: 6890.58, 0.00313846/step, 2.47886 hours remaining, 234.527344 MB of memory in use. ENERGY: 2156600 3981.5087 20579.4115 14478.9589 235.2366 -203506.6424 2494.9728 0.0000 0.0000 52148.2032 -109588.3508 299.6964 -161736.5540 -109224.5011 299.7423 -81.7348 -55.4128 761342.5118 4.0020 4.2547 PRESSURE: 2156800 -81.5078 59.0547 34.21 59.0547 -471.771 -201.453 34.2105 -201.453 -634.391 GPRESSURE: 2156800 -11.0463 79.4472 147.562 81.9466 -436.869 -230.565 -13.4191 -147.25 -641.793 PRESSAVG: 2156800 7.50499 -46.7042 5.48056 -46.7042 -45.751 -50.1633 5.48059 -50.1632 18.949 GPRESSAVG: 2156800 7.45567 -47.0577 4.86198 -45.4639 -46.3159 -50.0892 7.05703 -50.0721 19.721 TIMING: 2156800 CPU: 6891.22, 0.00318731/step Wall: 6891.22, 0.00318731/step, 2.51727 hours remaining, 234.527344 MB of memory in use. ENERGY: 2156800 3995.8324 20665.5656 14445.0235 222.4252 -203028.8788 2295.3823 0.0000 0.0000 51757.4165 -109647.2332 297.4506 -161404.6497 -109293.8587 299.0514 -395.8897 -363.2361 761116.0237 -6.4323 -6.3798 PRESSURE: 2157000 -172.87 -262.666 193.599 -262.664 -11.644 107.761 193.6 107.762 -156.698 GPRESSURE: 2157000 -198.412 -208.38 115.905 -198.526 80.2787 79.0607 167.674 114.425 -139.441 PRESSAVG: 2157000 103.943 -35.9128 -22.0135 -35.9127 -61.3274 47.4324 -22.0135 47.4324 12.423 GPRESSAVG: 2157000 104.126 -36.6606 -21.6856 -36.6892 -62.047 47.7684 -23.7617 47.2719 12.4219 TIMING: 2157000 CPU: 6891.85, 0.00315271/step Wall: 6891.85, 0.00315271/step, 2.48976 hours remaining, 234.527344 MB of memory in use. ENERGY: 2157000 3923.1597 20482.0789 14506.3826 228.7344 -202930.9114 2387.6275 0.0000 0.0000 52009.6319 -109393.2964 298.9001 -161402.9284 -109037.4044 298.9904 -113.7374 -85.8583 761445.4215 18.3464 18.1670 PRESSURE: 2157200 123.976 162.201 23.5249 162.202 330.857 -191.96 23.5243 -191.96 344.543 GPRESSURE: 2157200 209.682 -41.8639 100.769 139.349 295.447 -167.871 -33.1711 -64.7761 386.819 PRESSAVG: 2157200 2.61885 -38.3108 -32.6026 -38.3109 -53.7335 34.6146 -32.6025 34.6146 -4.63216 GPRESSAVG: 2157200 3.38393 -37.3898 -31.9661 -38.9864 -54.6345 35.8456 -32.3517 36.219 -4.72368 TIMING: 2157200 CPU: 6892.48, 0.00313308/step Wall: 6892.48, 0.00313308/step, 2.47409 hours remaining, 234.527344 MB of memory in use. ENERGY: 2157200 3993.1232 20669.3776 14509.9850 212.8207 -203809.4275 2906.0332 0.0000 0.0000 52096.2599 -109421.8278 299.3979 -161518.0877 -109057.2592 299.1996 266.4589 297.3164 761224.7826 -18.5823 -18.6581 PRESSURE: 2157400 232.846 -178.962 -290.556 -178.962 80.4285 -22.6948 -290.558 -22.694 96.4784 GPRESSURE: 2157400 168.676 -197.658 -243.589 -159.483 152.815 -41.6714 -266.415 -61.7193 188.261 PRESSAVG: 2157400 54.1094 -86.7973 35.1549 -86.7973 -31.3942 44.5487 35.1549 44.5487 5.16098 GPRESSAVG: 2157400 53.229 -86.1373 35.3736 -87.8247 -32.0734 41.6922 34.8797 46.4802 6.31221 TIMING: 2157400 CPU: 6893.1, 0.00314262/step Wall: 6893.1, 0.00314262/step, 2.48145 hours remaining, 234.527344 MB of memory in use. ENERGY: 2157400 4045.6255 20445.3463 14486.7824 254.2690 -203732.3754 2866.8322 0.0000 0.0000 52203.9262 -109429.5938 300.0167 -161633.5200 -109069.9456 299.1001 136.5844 169.9173 760953.7998 9.2921 9.1559 PRESSURE: 2157600 186.783 100.823 240.433 100.824 24.6399 201.312 240.434 201.312 -220.242 GPRESSURE: 2157600 135.068 37.5652 187.746 73.1519 118.903 195.164 183.125 120.733 -174.167 PRESSAVG: 2157600 38.5599 -6.12434 17.9802 -6.12432 -36.5517 22.7901 17.9801 22.7901 -12.4403 GPRESSAVG: 2157600 37.4594 -6.72063 15.2303 -5.19966 -34.6134 24.3391 19.651 16.6051 -13.2051 TIMING: 2157600 CPU: 6893.73, 0.00313602/step Wall: 6893.73, 0.00313602/step, 2.47607 hours remaining, 234.527344 MB of memory in use. ENERGY: 2157600 4031.2004 20576.6268 14457.0601 241.0800 -203429.2948 2571.3977 0.0000 0.0000 52098.3691 -109453.5607 299.4100 -161551.9298 -109092.0825 299.3939 -2.9397 26.6013 759929.6109 -3.4773 -3.4530 PRESSURE: 2157800 -132.796 -261.924 -268.597 -261.925 -460.971 -133.073 -268.598 -133.074 -59.4218 GPRESSURE: 2157800 -153.002 -221.156 -255.348 -251.955 -377.122 -151.038 -140.752 -216.112 -30.9929 PRESSAVG: 2157800 21.0065 -12.961 -33.5198 -12.9611 -32.2359 23.4891 -33.5198 23.4892 -0.72257 GPRESSAVG: 2157800 22.3484 -13.8556 -32.0528 -11.8343 -32.3191 24.9346 -34.2915 25.6404 -1.55078 TIMING: 2157800 CPU: 6894.36, 0.0031396/step Wall: 6894.36, 0.0031396/step, 2.47871 hours remaining, 234.527344 MB of memory in use. ENERGY: 2157800 4043.7431 20663.1149 14441.0395 272.7263 -203071.1829 2225.9228 0.0000 0.0000 51829.9543 -109594.6821 297.8675 -161424.6363 -109234.9547 298.8008 -217.7296 -187.0389 760651.6072 -3.9840 -3.8405 PRESSURE: 2158000 -24.8656 30.6532 206.867 30.6545 179.436 54.6473 206.868 54.6469 164.025 GPRESSURE: 2158000 -9.07985 -14.4122 203.693 51.5737 184.059 -11.8711 270.747 -12.2378 200.891 PRESSAVG: 2158000 41.9824 -42.2514 33.7982 -42.2514 -16.0292 7.15009 33.7982 7.15 -10.417 GPRESSAVG: 2158000 41.9154 -41.3543 33.902 -44.1146 -16.1847 3.29758 32.3853 9.09252 -9.8219 TIMING: 2158000 CPU: 6894.99, 0.00314352/step Wall: 6894.99, 0.00314352/step, 2.48164 hours remaining, 234.527344 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: 2158000 3937.0052 20573.1186 14454.5967 244.6945 -203378.6481 2373.2773 0.0000 0.0000 52184.7626 -109611.1931 299.9065 -161795.9557 -109231.9244 299.5541 106.1986 125.2898 761760.2626 5.1787 5.3029 PRESSURE: 2158200 127.473 -345.422 32.3165 -345.423 -109.777 21.7016 32.3154 21.7017 239.583 GPRESSURE: 2158200 219.978 -278.274 1.01993 -249.433 -88.3401 77.103 -14.6293 58.2019 207.432 PRESSAVG: 2158200 29.0342 -41.2296 -1.61349 -41.2297 -22.0965 50.3256 -1.61357 50.3255 15.9919 GPRESSAVG: 2158200 28.2458 -42.3355 -0.585952 -37.3485 -21.2086 54.044 -1.37296 50.4983 15.1498 TIMING: 2158200 CPU: 6895.61, 0.00313397/step Wall: 6895.61, 0.00313397/step, 2.47392 hours remaining, 234.527344 MB of memory in use. ENERGY: 2158200 4151.5168 20300.7061 14446.4772 231.2067 -203468.1694 2696.0835 0.0000 0.0000 52121.2458 -109520.9333 299.5415 -161642.1791 -109151.5334 299.0435 85.7597 113.0232 761734.5566 7.6432 7.3957 PRESSURE: 2158400 291.216 97.5923 61.4955 97.5927 108.583 162.699 61.4959 162.699 -47.1484 GPRESSURE: 2158400 372.475 95.6278 151.822 131.914 64.3042 236.103 64.7286 42.751 13.9479 PRESSAVG: 2158400 34.3188 -59.9757 43.3975 -59.9757 -20.5856 79.7789 43.3975 79.7788 11.4739 GPRESSAVG: 2158400 33.5218 -60.4464 42.4039 -63.8652 -20.9607 79.1651 45.0384 78.1367 12.7223 TIMING: 2158400 CPU: 6896.24, 0.00314348/step Wall: 6896.24, 0.00314348/step, 2.48126 hours remaining, 234.527344 MB of memory in use. ENERGY: 2158400 3980.7935 20574.0714 14576.9052 253.4969 -203724.4480 2754.2562 0.0000 0.0000 51984.2396 -109600.6853 298.7541 -161584.9249 -109232.5778 299.1544 117.5502 150.2425 760490.8048 8.4023 8.4278 PRESSURE: 2158600 66.5753 -67.1063 454.251 -67.1077 173.396 -105.325 454.251 -105.326 -211.038 GPRESSURE: 2158600 242.315 28.4881 402.414 21.6352 93.2069 -100.626 415.465 -121.426 -213.926 PRESSAVG: 2158600 81.464 11.5955 -8.7555 11.5955 -63.8254 -12.1245 -8.75549 -12.1244 2.27158 GPRESSAVG: 2158600 83.5858 11.7614 -9.1799 15.2417 -64.6642 -13.6693 -7.54449 -11.2385 1.06524 TIMING: 2158600 CPU: 6896.87, 0.00311576/step Wall: 6896.87, 0.00311576/step, 2.4592 hours remaining, 234.527344 MB of memory in use. ENERGY: 2158600 4011.2175 20434.1949 14491.7169 246.6812 -203941.9759 3026.4122 0.0000 0.0000 52027.1187 -109704.6345 299.0006 -161731.7532 -109345.5370 298.4576 9.6445 40.5319 760837.5842 6.6367 6.6623 PRESSURE: 2158800 -225.62 -41.2921 168.801 -41.2919 -353.704 68.2045 168.801 68.2046 -122.484 GPRESSURE: 2158800 -206.472 -107.651 136.557 -46.7562 -334.425 16.042 140.39 31.4515 -75.6738 PRESSAVG: 2158800 71.2193 8.23126 26.8393 8.23122 -71.0143 -7.52359 26.8393 -7.52358 1.9535 GPRESSAVG: 2158800 72.281 8.0756 29.6443 5.51065 -72.5552 -7.54991 25.4292 -7.79957 2.22658 TIMING: 2158800 CPU: 6897.49, 0.00313598/step Wall: 6897.49, 0.00313598/step, 2.47498 hours remaining, 234.527344 MB of memory in use. ENERGY: 2158800 4017.0430 20355.6398 14558.7778 226.9828 -203189.0780 2291.8747 0.0000 0.0000 51804.7990 -109933.9610 297.7229 -161738.7599 -109575.1262 298.0033 -233.9358 -205.5235 760909.8516 0.7195 0.6508 PRESSURE: 2159000 168.969 129.061 -31.5556 129.061 14.7727 167.111 -31.5569 167.111 77.1488 GPRESSURE: 2159000 188.738 31.1616 -33.4477 130.106 89.8513 232.272 -53.8966 101.662 63.6847 PRESSAVG: 2159000 -17.6709 -6.08376 -9.44992 -6.08379 -16.9119 -21.9191 -9.44985 -21.9191 17.5217 GPRESSAVG: 2159000 -19.0474 -7.86538 -11.3887 -5.41838 -15.7871 -20.3576 -8.90558 -20.4877 17.4558 TIMING: 2159000 CPU: 6898.12, 0.0031413/step Wall: 6898.12, 0.0031413/step, 2.47901 hours remaining, 234.527344 MB of memory in use. ENERGY: 2159000 3997.3323 20575.1239 14549.6910 228.3133 -204098.5830 2811.7473 0.0000 0.0000 51838.0827 -110098.2924 297.9142 -161936.3751 -109743.9163 297.5968 86.9635 114.0913 760772.6989 -5.6870 -5.7929 PRESSURE: 2159200 5.68481 166.349 -5.33158 166.349 -266.736 227.061 -5.33243 227.061 -585.027 GPRESSURE: 2159200 -27.3153 95.4776 -33.056 177.033 -182.36 207.569 -68.4152 260.42 -528.812 PRESSAVG: 2159200 56.5938 -12.2195 0.738883 -12.2195 -42.0155 -13.7383 0.738844 -13.7383 5.02334 GPRESSAVG: 2159200 57.1966 -8.93743 -1.61106 -13.078 -42.407 -14.8466 1.15702 -13.6447 4.91757 TIMING: 2159200 CPU: 6898.75, 0.00313405/step Wall: 6898.75, 0.00313405/step, 2.47312 hours remaining, 234.527344 MB of memory in use. ENERGY: 2159200 3937.6136 20240.9207 14593.1319 233.4713 -203553.7670 2591.3980 0.0000 0.0000 51838.4276 -110118.8040 297.9162 -161957.2315 -109762.4485 297.4676 -282.0261 -246.1625 761377.6551 6.5339 6.5691 PRESSURE: 2159400 373.977 -26.3916 -18.3705 -26.3925 71.9483 -87.2989 -18.3711 -87.2992 215.672 GPRESSURE: 2159400 338.469 37.3442 30.5418 -119.276 153.286 -71.6266 26.1439 23.109 252.088 PRESSAVG: 2159400 59.6638 22.2654 25.692 22.2653 -53.0304 -11.8123 25.692 -11.8123 -18.0468 GPRESSAVG: 2159400 59.6573 21.4463 29.2264 22.1816 -53.4165 -11.379 25.2201 -12.2376 -17.3957 TIMING: 2159400 CPU: 6899.37, 0.00312798/step Wall: 6899.37, 0.00312798/step, 2.46815 hours remaining, 234.527344 MB of memory in use. ENERGY: 2159400 3951.2359 20285.2347 14529.5134 235.0810 -203524.6530 2822.6011 0.0000 0.0000 51715.7167 -109985.2703 297.2109 -161700.9870 -109630.1172 297.4110 220.5325 247.9475 760495.4141 -3.8045 -3.7183 PRESSURE: 2159600 83.8799 102.12 109.194 102.12 -20.3015 -122.335 109.193 -122.335 183.511 GPRESSURE: 2159600 148.339 125.731 133.261 120.355 21.6672 -108.211 224.165 -12.3186 148.026 PRESSAVG: 2159600 66.5913 -14.7724 7.02264 -14.7725 -93.2841 2.85691 7.02267 2.85696 24.9307 GPRESSAVG: 2159600 64.492 -14.7426 5.7379 -15.1568 -91.1995 3.57412 5.25493 2.97984 25.4803 TIMING: 2159600 CPU: 6900, 0.00311376/step Wall: 6900, 0.00311376/step, 2.45675 hours remaining, 234.527344 MB of memory in use. ENERGY: 2159600 3936.0641 20420.9413 14491.8351 257.6176 -203847.4461 2946.1625 0.0000 0.0000 51791.9499 -110002.8757 297.6490 -161794.8256 -109637.9367 297.9395 82.3632 106.0109 761034.8974 -0.5874 -0.4091 PRESSURE: 2159800 -16.986 -26.5515 -16.3122 -26.5508 -41.0073 -125.155 -16.3129 -125.156 -166.568 GPRESSURE: 2159800 -46.5626 -129.921 -53.6666 -88.4586 -16.3776 -87.6482 25.674 -145.295 -81.0711 PRESSAVG: 2159800 35.89 7.28418 -21.792 7.28415 -56.4856 -5.1617 -21.792 -5.16165 -0.0895004 GPRESSAVG: 2159800 36.439 6.9751 -22.0593 7.77668 -57.6134 -4.62187 -19.8136 -7.49515 0.0231415 TIMING: 2159800 CPU: 6900.62, 0.00311423/step Wall: 6900.62, 0.00311423/step, 2.45695 hours remaining, 234.527344 MB of memory in use. ENERGY: 2159800 3982.0214 20569.4010 14395.9796 238.4303 -203070.9591 2527.3722 0.0000 0.0000 51741.8364 -109615.9182 297.3610 -161357.7546 -109260.9283 298.5028 -74.8539 -48.0038 762524.8240 -6.8950 -7.0504 PRESSURE: 2160000 78.9855 -104.931 -33.8475 -104.931 -15.5144 -204.848 -33.8483 -204.847 206.895 GPRESSURE: 2160000 79.5522 -41.0325 13.1642 -100.098 51.2344 -160.851 -40.991 -113.603 245.298 PRESSAVG: 2160000 46.7597 -33.3491 -6.24559 -33.3491 -70.4366 -16.3495 -6.24557 -16.3496 0.395412 GPRESSAVG: 2160000 46.5183 -32.7512 -5.05051 -33.8895 -70.3521 -16.46 -5.22106 -13.922 0.785216 TIMING: 2160000 CPU: 6901.25, 0.00312447/step Wall: 6901.25, 0.00312447/step, 2.46486 hours remaining, 234.527344 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: 2160000 3903.3158 20395.8805 14551.1660 246.3420 -203418.2692 2620.7687 0.0000 0.0000 51914.2238 -109786.5724 298.3518 -161700.7962 -109431.5946 297.9333 90.1220 125.3616 762613.4778 -7.7605 -7.6829 PRESSURE: 2160200 -64.6708 1.39899 58.4067 1.3989 -241.911 82.9481 58.4063 82.9475 -51.7002 GPRESSURE: 2160200 -70.5108 -105.844 79.6439 109.526 -93.3041 85.3978 -66.2216 138.08 -102.955 PRESSAVG: 2160200 29.1487 -10.0231 -5.10562 -10.0232 -41.0131 -32.0796 -5.10562 -32.0796 6.32557 GPRESSAVG: 2160200 30.5793 -13.0111 -5.79454 -10.0554 -41.545 -33.1342 -5.04404 -34.4259 5.68666 TIMING: 2160200 CPU: 6901.87, 0.00311773/step Wall: 6901.87, 0.00311773/step, 2.45937 hours remaining, 234.527344 MB of memory in use. ENERGY: 2160200 4089.8680 20604.3358 14479.1703 239.7410 -203713.3911 2644.8788 0.0000 0.0000 52064.2913 -109591.1058 299.2142 -161655.3972 -109242.4286 298.3723 -119.4274 -88.9231 760818.7962 -1.8463 -1.7597 LDB: ============= START OF LOAD BALANCING ============== 6914.29 LDB: ============== END OF LOAD BALANCING =============== 6914.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6914.29 LDB: ============= START OF LOAD BALANCING ============== 6914.6 LDB: Largest compute 7078 load 0.033400 is 17.1% of average load 0.195418 LDB: Average compute 0.004397 is 2.3% of average load 0.195418 LDB: TIME 6914.61 LOAD: AVG 0.195418 MAX 0.212645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 6914.61 LOAD: AVG 0.195418 MAX 0.212645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: TIME 6914.61 LOAD: AVG 0.195418 MAX 0.212645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: ============== END OF LOAD BALANCING =============== 6914.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6914.61 PRESSURE: 2160400 54.2524 -92.4855 29.0019 -92.4853 -84.2636 138.849 29.0025 138.85 -190.319 GPRESSURE: 2160400 32.6131 -135.309 100.198 -136.564 0.857999 164.874 -142.711 -29.2834 -177.033 PRESSAVG: 2160400 91.1458 44.5776 -17.0704 44.5776 -35.9896 -70.6167 -17.0704 -70.6167 19.9442 GPRESSAVG: 2160400 89.9927 48.0682 -17.4932 42.615 -35.263 -71.0244 -18.2419 -69.0063 20.4926 TIMING: 2160400 CPU: 6902.51, 0.00319489/step Wall: 6902.51, 0.00319489/step, 2.52006 hours remaining, 235.101562 MB of memory in use. ENERGY: 2160400 4007.8395 20503.7580 14502.5193 282.3620 -203565.6291 2562.6917 0.0000 0.0000 52049.1836 -109657.2750 299.1274 -161706.4586 -109292.0299 298.8029 -73.4435 -47.8541 760296.3093 25.0335 25.0741 PRESSURE: 2160600 -252.451 -160.03 -209.794 -160.03 18.7983 -93.1868 -209.795 -93.1854 387.627 GPRESSURE: 2160600 -125.706 -113.701 -157.165 -148.965 35.9964 -58.3929 -101.563 -47.8993 314.914 PRESSAVG: 2160600 28.486 -31.7169 -37.6653 -31.7168 23.8912 -6.25271 -37.6653 -6.25276 12.5354 GPRESSAVG: 2160600 28.2084 -34.3636 -36.0688 -29.3319 24.757 -4.82821 -38.1169 -6.08861 11.7157 TIMING: 2160600 CPU: 6903.13, 0.00313714/step Wall: 6903.13, 0.00313714/step, 2.47433 hours remaining, 235.304688 MB of memory in use. ENERGY: 2160600 4001.4459 20510.5344 14439.8379 271.8102 -202996.0051 2430.6577 0.0000 0.0000 51659.5909 -109682.1281 296.8884 -161341.7190 -109332.7152 298.8330 51.3246 75.0680 763598.6816 21.6375 21.5604 PRESSURE: 2160800 75.0372 -109.861 -173.234 -109.861 -325.167 -30.4442 -173.233 -30.4451 6.69794 GPRESSURE: 2160800 82.0968 -162.199 -206.229 -168.146 -265.939 -45.3832 -141.22 -153.266 14.1293 PRESSAVG: 2160800 55.0207 -51.1004 -2.1757 -51.1004 -44.8322 74.7115 -2.17572 74.7114 -12.5144 GPRESSAVG: 2160800 56.2987 -49.2486 -2.21919 -52.6273 -46.9553 74.4347 -1.86507 74.535 -11.3601 TIMING: 2160800 CPU: 6903.76, 0.00313004/step Wall: 6903.76, 0.00313004/step, 2.46856 hours remaining, 235.304688 MB of memory in use. ENERGY: 2160800 3954.0955 20465.4391 14479.1918 240.9956 -203535.9312 2675.4027 0.0000 0.0000 51927.9198 -109792.8868 298.4305 -161720.8066 -109435.3609 298.6782 -81.1441 -56.5711 761076.2726 -0.7753 -0.6722 PRESSURE: 2161000 -188.562 105.389 -163.929 105.389 -260.113 -76.1457 -163.928 -76.1452 -207.737 GPRESSURE: 2161000 -184.378 127.118 -154.619 63.0253 -205.604 -37.7946 -62.1059 -27.6947 -184.309 PRESSAVG: 2161000 35.7224 -12.3891 -20.5031 -12.3891 -36.5798 -28.0286 -20.5031 -28.0286 20.08 GPRESSAVG: 2161000 35.7501 -13.709 -20.2792 -12.0784 -35.674 -28.7975 -20.0516 -27.2418 18.7912 TIMING: 2161000 CPU: 6904.39, 0.00314528/step Wall: 6904.39, 0.00314528/step, 2.4804 hours remaining, 235.304688 MB of memory in use. ENERGY: 2161000 4007.3003 20465.8987 14513.8020 256.2851 -203201.5121 2202.5812 0.0000 0.0000 51829.5993 -109926.0455 297.8654 -161755.6448 -109567.5710 298.4046 -218.8042 -191.4300 761598.6161 6.4075 6.2891 PRESSURE: 2161200 11.5555 -107.906 160.81 -107.907 -628.557 -206.784 160.811 -206.784 -124.899 GPRESSURE: 2161200 84.4678 -41.7652 240.445 -93.1626 -616.928 -181.861 88.1046 -147.681 -103.247 PRESSAVG: 2161200 42.6043 -36.958 -17.0507 -36.958 -64.5163 -33.462 -17.0507 -33.462 0.890205 GPRESSAVG: 2161200 42.4684 -36.5837 -16.3645 -36.7781 -64.2202 -33.816 -17.3682 -32.2479 0.358787 TIMING: 2161200 CPU: 6905.02, 0.00314146/step Wall: 6905.02, 0.00314146/step, 2.47721 hours remaining, 235.304688 MB of memory in use. ENERGY: 2161200 4032.8943 20401.2977 14536.0504 233.5483 -203375.7999 2329.5349 0.0000 0.0000 51872.9442 -109969.5300 298.1145 -161842.4743 -109613.4917 297.7618 -247.3001 -211.9025 760374.3482 -7.0073 -7.1310 PRESSURE: 2161400 -361.914 -17.7942 -76.8539 -17.7943 -225.009 141.481 -76.8541 141.48 356.483 GPRESSURE: 2161400 -232.222 94.4654 -20.6858 18.5322 -234.528 108.289 -95.0412 27.7684 333.167 PRESSAVG: 2161400 65.1767 -4.25443 1.65365 -4.25444 -30.8281 12.7027 1.65368 12.7027 33.4931 GPRESSAVG: 2161400 64.7746 -3.21846 0.17394 -3.25729 -31.2567 13.0965 1.34464 11.7337 34.3704 TIMING: 2161400 CPU: 6905.65, 0.00313486/step Wall: 6905.65, 0.00313486/step, 2.47184 hours remaining, 235.304688 MB of memory in use. ENERGY: 2161400 3993.9575 20440.7484 14553.5679 234.1352 -203381.2748 2502.4762 0.0000 0.0000 51856.5317 -109799.8579 298.0202 -161656.3896 -109439.7905 297.7701 -76.8133 -44.5276 761001.9319 22.6139 22.6294 PRESSURE: 2161600 176.79 -242.891 4.76135 -242.892 -195.544 -159.09 4.76088 -159.089 -305.262 GPRESSURE: 2161600 143.331 -140.427 -15.5896 -98.3631 -78.7689 -123.644 72.6894 -49.9049 -308.794 PRESSAVG: 2161600 -37.6803 -9.94187 -61.0777 -9.94184 40.8257 -48.4807 -61.0776 -48.4807 -13.4925 GPRESSAVG: 2161600 -37.8719 -7.8046 -60.0436 -11.0201 42.4104 -48.1102 -61.8324 -47.5822 -14.7272 TIMING: 2161600 CPU: 6906.27, 0.00313376/step Wall: 6906.27, 0.00313376/step, 2.4708 hours remaining, 235.304688 MB of memory in use. ENERGY: 2161600 3927.4246 20582.0658 14557.0185 229.5937 -204168.5704 2892.8893 0.0000 0.0000 52118.0581 -109861.5203 299.5232 -161979.5784 -109495.5482 298.2075 -108.0054 -81.4104 760584.7706 -3.4490 -3.3962 PRESSURE: 2161800 -63.3711 -28.5791 -81.2699 -28.5791 -104.316 -152.798 -81.27 -152.797 172.322 GPRESSURE: 2161800 -32.8133 -8.33848 -193.664 -53.3341 -109.807 -221.472 -91.2667 -293.464 212.041 PRESSAVG: 2161800 14.7868 -15.647 -53.0491 -15.647 -2.70078 -3.19225 -53.049 -3.19223 -4.59933 GPRESSAVG: 2161800 15.2623 -16.7976 -54.0173 -14.4429 -3.5296 -3.29357 -52.7771 -4.15166 -4.88318 TIMING: 2161800 CPU: 6906.9, 0.00313955/step Wall: 6906.9, 0.00313955/step, 2.47518 hours remaining, 235.304688 MB of memory in use. ENERGY: 2161800 4022.4746 20468.7733 14504.8196 232.8066 -203424.3799 2744.9369 0.0000 0.0000 51837.8250 -109612.7439 297.9127 -161450.5689 -109253.0855 298.4007 1.5448 23.1400 760643.5067 2.4956 2.2832 PRESSURE: 2162000 -23.9948 -140.979 199.027 -140.98 -327.441 -81.4226 199.028 -81.4217 -273.592 GPRESSURE: 2162000 85.4813 -75.4345 180.345 -177.104 -268.931 -139.486 162.385 -65.228 -356.943 PRESSAVG: 2162000 23.5859 -21.8381 -2.38639 -21.8381 0.00936035 -35.0232 -2.38636 -35.0233 -27.8446 GPRESSAVG: 2162000 24.4948 -22.8092 -2.85103 -22.2304 -1.33454 -35.8964 0.0661847 -37.1293 -27.2105 TIMING: 2162000 CPU: 6907.53, 0.0031515/step Wall: 6907.53, 0.0031515/step, 2.48444 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2162000 4017.9955 20537.7647 14505.6463 240.9562 -203270.5846 2449.5073 0.0000 0.0000 52052.1484 -109466.5662 299.1444 -161518.7146 -109110.6122 298.5407 -208.3426 -180.1308 760861.2706 -1.4164 -1.3501 PRESSURE: 2162200 -177.377 92.5181 75.2746 92.5185 287.859 86.9767 75.2752 86.9777 20.6762 GPRESSURE: 2162200 -144.39 -54.5013 35.7621 87.0112 266.116 10.3094 188.87 177.991 76.0535 PRESSAVG: 2162200 12.0911 -32.3364 -23.8118 -32.3365 -7.26118 36.1831 -23.8118 36.1831 0.102954 GPRESSAVG: 2162200 10.6292 -34.2781 -23.3513 -33.7337 -6.88482 37.1885 -25.8411 37.3602 1.1292 TIMING: 2162200 CPU: 6908.16, 0.00315359/step Wall: 6908.16, 0.00315359/step, 2.4859 hours remaining, 235.304688 MB of memory in use. ENERGY: 2162200 3999.6744 20626.4732 14469.7407 229.9396 -203489.1993 2704.4958 0.0000 0.0000 51703.3674 -109755.5083 297.1400 -161458.8756 -109408.3283 297.9961 43.7192 65.9267 762361.9944 1.6443 1.6245 PRESSURE: 2162400 -169.523 68.227 -198.548 68.2269 63.2366 187.022 -198.547 187.021 -283.309 GPRESSURE: 2162400 -108.042 68.025 -224.865 89.4017 35.3646 121.588 -204.573 196.224 -241.019 PRESSAVG: 2162400 22.0741 -15.4082 -27.1602 -15.4081 -7.90564 6.22162 -27.1602 6.22157 -2.37968 GPRESSAVG: 2162400 22.2722 -14.3471 -26.9794 -12.1409 -7.71979 4.36069 -25.9362 6.21723 -2.78994 TIMING: 2162400 CPU: 6908.79, 0.00315018/step Wall: 6908.79, 0.00315018/step, 2.48304 hours remaining, 235.304688 MB of memory in use. ENERGY: 2162400 3943.8545 20609.8570 14408.2162 244.7146 -203089.7379 2363.0443 0.0000 0.0000 51809.7512 -109710.3001 297.7514 -161520.0513 -109349.0871 298.3511 -129.8649 -104.5654 760580.0191 3.9296 3.9208 PRESSURE: 2162600 -263.317 -59.0816 53.3467 -59.0823 -49.5916 -380.358 53.3458 -380.358 180.57 GPRESSURE: 2162600 -158.169 -67.2371 44.4388 -39.4758 -87.6486 -435.77 43.9141 -103.578 207.268 PRESSAVG: 2162600 15.4659 -34.5552 19.7979 -34.5552 28.691 10.424 19.7979 10.424 3.44967 GPRESSAVG: 2162600 15.7074 -33.3065 19.4356 -36.1617 27.4912 11.1928 21.64 10.2471 4.2029 TIMING: 2162600 CPU: 6909.42, 0.00315369/step Wall: 6909.42, 0.00315369/step, 2.48563 hours remaining, 235.304688 MB of memory in use. ENERGY: 2162600 3948.7426 20521.1092 14554.2745 267.0405 -203238.6325 2365.9988 0.0000 0.0000 51836.6613 -109744.8056 297.9060 -161581.4669 -109371.4311 298.1895 -44.1127 -12.8500 762426.8602 15.8689 15.8005 PRESSURE: 2162800 23.6135 -163.561 -15.7588 -163.561 -174.459 -127.342 -15.7588 -127.341 -177.423 GPRESSURE: 2162800 53.0217 -175.606 57.5863 -152.649 -118.604 -116.655 1.37121 -113.415 -167.813 PRESSAVG: 2162800 80.2313 -35.8791 5.47322 -35.8792 -99.8107 -50.5107 5.47323 -50.5108 -16.3666 GPRESSAVG: 2162800 79.6578 -35.7461 5.37368 -37.1405 -98.9669 -50.2582 3.86404 -49.0472 -16.8094 TIMING: 2162800 CPU: 6910.05, 0.00313956/step Wall: 6910.05, 0.00313956/step, 2.47432 hours remaining, 235.304688 MB of memory in use. ENERGY: 2162800 3977.5831 20455.0046 14396.4277 279.0273 -203347.1423 2753.5184 0.0000 0.0000 51903.8419 -109581.7394 298.2921 -161485.5812 -109215.8544 298.1875 -109.4228 -77.7983 761934.2346 -11.9820 -12.0395 PRESSURE: 2163000 32.509 38.9458 55.2586 38.9467 279.207 59.4935 55.2604 59.4939 128.903 GPRESSURE: 2163000 40.5915 -61.8212 -39.2488 -65.4298 328.331 107.382 128.92 58.0566 161.265 PRESSAVG: 2163000 16.2373 -37.542 -33.4728 -37.542 -9.65501 -25.0609 -33.4728 -25.0609 15.2974 GPRESSAVG: 2163000 15.008 -36.3102 -32.1341 -37.345 -8.71574 -25.3991 -34.9029 -26.0344 15.3604 TIMING: 2163000 CPU: 6910.68, 0.00314751/step Wall: 6910.68, 0.00314751/step, 2.48042 hours remaining, 235.304688 MB of memory in use. ENERGY: 2163000 3942.4993 20393.1236 14491.3446 270.2479 -203455.5352 2708.2641 0.0000 0.0000 52058.4103 -109591.6454 299.1804 -161650.0557 -109238.7634 298.8106 146.8728 176.7292 761279.9853 7.2932 7.2175 PRESSURE: 2163200 328.549 -121.463 -34.1288 -121.464 49.9861 107.927 -34.1294 107.926 427.2 GPRESSURE: 2163200 343.87 -195.41 -91.7266 -141.948 75.3212 127.761 88.4205 122.519 472.259 PRESSAVG: 2163200 35.7139 -30.1369 10.7174 -30.1368 -13.1147 39.2899 10.7174 39.29 -9.49896 GPRESSAVG: 2163200 37.0184 -31.8211 9.85908 -30.2512 -13.1347 39.8768 11.4434 38.2824 -10.831 TIMING: 2163200 CPU: 6911.31, 0.00313528/step Wall: 6911.31, 0.00313528/step, 2.4706 hours remaining, 235.304688 MB of memory in use. ENERGY: 2163200 3922.1067 20308.1831 14532.2046 271.7234 -203697.7804 2945.8713 0.0000 0.0000 52104.0512 -109613.6401 299.4427 -161717.6913 -109239.8363 298.4684 268.5784 297.1501 760367.5542 4.3667 4.3509 PRESSURE: 2163400 87.3122 -168.238 -249.57 -168.238 -111.317 12.9893 -249.57 12.989 295.576 GPRESSURE: 2163400 45.2451 -101.722 -219.984 -115.857 112.2 -3.41263 -127.874 -28.0348 209.417 PRESSAVG: 2163400 -4.85294 -26.2438 -37.804 -26.2438 1.49685 -22.0581 -37.804 -22.0581 1.24398 GPRESSAVG: 2163400 -4.81317 -25.0409 -37.6836 -24.6538 1.61321 -21.7345 -35.8213 -21.9649 2.17852 TIMING: 2163400 CPU: 6911.94, 0.00314756/step Wall: 6911.94, 0.00314756/step, 2.4801 hours remaining, 235.304688 MB of memory in use. ENERGY: 2163400 3956.3527 20414.4242 14497.3731 246.3167 -203732.0606 2807.3302 0.0000 0.0000 52262.2884 -109547.9753 300.3521 -161810.2636 -109186.1674 299.1797 90.5238 122.2872 760865.2960 -0.7040 -0.3405 PRESSURE: 2163600 -286.048 -157.424 90.3844 -157.423 202.498 107.836 90.3838 107.836 -292.636 GPRESSURE: 2163600 -205.73 -236.783 182.826 -138.52 152.306 116.513 65.982 42.6208 -220.434 PRESSAVG: 2163600 29.9854 -54.8387 -9.72784 -54.8387 4.84415 26.0409 -9.72787 26.0409 15.1604 GPRESSAVG: 2163600 30.395 -56.5477 -10.1899 -54.7442 5.40302 25.6553 -11.5227 27.5103 14.4169 TIMING: 2163600 CPU: 6912.56, 0.00313362/step Wall: 6912.56, 0.00313362/step, 2.46894 hours remaining, 235.304688 MB of memory in use. ENERGY: 2163600 4025.2715 20517.9256 14514.8266 240.9183 -203246.9871 2528.0393 0.0000 0.0000 52020.5976 -109399.4082 298.9631 -161420.0058 -109040.6229 299.0094 -125.3954 -91.2860 760685.5973 16.6633 16.7383 PRESSURE: 2163800 -47.8102 72.1262 -161.852 72.1266 -212.357 14.5587 -161.851 14.5586 -105.051 GPRESSURE: 2163800 -20.5338 34.5587 -271.405 33.0192 -237.626 -62.7028 -119.974 26.8777 -46.059 PRESSAVG: 2163800 83.2114 1.06125 -46.7987 1.06136 -63.764 -12.3213 -46.7988 -12.3213 -30.6427 GPRESSAVG: 2163800 83.0695 1.15226 -47.6056 1.01624 -64.4985 -12.161 -45.2096 -13.9078 -29.9966 TIMING: 2163800 CPU: 6913.19, 0.003141/step Wall: 6913.19, 0.00314101/step, 2.47459 hours remaining, 235.304688 MB of memory in use. ENERGY: 2163800 3982.6906 20451.8546 14501.0100 229.6434 -203212.0163 2637.0526 0.0000 0.0000 52190.3046 -109219.4604 299.9384 -161409.7650 -108855.0619 299.6064 -121.7396 -101.4062 762708.9379 -3.7317 -3.8086 PRESSURE: 2164000 -189.696 -56.5773 -192.657 -56.5773 -62.1867 -102.586 -192.658 -102.585 347.932 GPRESSURE: 2164000 -72.1298 -122.363 -201.322 -67.6881 -35.9754 -126.653 -35.0583 -82.8939 295.592 PRESSAVG: 2164000 53.545 -26.4461 -20.5918 -26.4461 -45.8398 2.05697 -20.5917 2.05706 11.5068 GPRESSAVG: 2164000 52.6454 -27.796 -20.9573 -27.2262 -46.6518 3.01112 -23.0358 -0.1429 12.8299 TIMING: 2164000 CPU: 6913.82, 0.00312833/step Wall: 6913.82, 0.00312833/step, 2.46443 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2164000 4042.3606 20524.2155 14487.7454 255.6256 -203154.2481 2724.6796 0.0000 0.0000 52100.2279 -109019.3935 299.4207 -161119.6213 -108655.2523 299.4766 32.0164 62.4956 762127.7963 6.4040 6.2745 PRESSURE: 2164200 176.501 159.599 -155.367 159.6 -7.91645 -49.1889 -155.367 -49.1889 -20.8119 GPRESSURE: 2164200 223.983 173.43 -153.646 22.446 -11.8521 -143.932 -106.847 -8.13669 39.1569 PRESSAVG: 2164200 0.1144 -8.931 -29.221 -8.93095 8.86227 -31.1073 -29.221 -31.1072 1.09009 GPRESSAVG: 2164200 1.97419 -7.28409 -28.0588 -9.54525 8.83345 -31.9674 -28.448 -27.8457 -0.202433 TIMING: 2164200 CPU: 6914.45, 0.00314385/step Wall: 6914.45, 0.00314385/step, 2.47648 hours remaining, 235.304688 MB of memory in use. ENERGY: 2164200 3963.5935 20441.7598 14536.8577 244.8474 -203275.0303 2773.3666 0.0000 0.0000 52147.9094 -109166.6959 299.6948 -161314.6053 -108801.9623 299.9875 49.2574 83.7626 760456.0753 3.3556 3.5351 LDB: ============= START OF LOAD BALANCING ============== 6926.86 LDB: ============== END OF LOAD BALANCING =============== 6926.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6926.87 LDB: ============= START OF LOAD BALANCING ============== 6927.18 LDB: Largest compute 7032 load 0.032582 is 16.7% of average load 0.195514 LDB: Average compute 0.004379 is 2.2% of average load 0.195514 LDB: TIME 6927.18 LOAD: AVG 0.195514 MAX 0.213829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 6927.18 LOAD: AVG 0.195514 MAX 0.213829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 6927.18 LOAD: AVG 0.195514 MAX 0.213829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 6927.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6927.19 PRESSURE: 2164400 -410.628 258.89 71.335 258.891 -227.263 -122.03 71.3346 -122.029 -53.7312 GPRESSURE: 2164400 -398.49 198.78 157.895 180.495 -144.799 14.9996 54.0207 -52.5177 -64.7869 PRESSAVG: 2164400 -8.95702 28.643 79.0714 28.643 -31.9138 -18.7172 79.0713 -18.7172 -7.06108 GPRESSAVG: 2164400 -9.30081 27.5054 79.1462 28.5254 -31.5359 -17.6043 78.3789 -18.1689 -6.95279 TIMING: 2164400 CPU: 6915.08, 0.00319287/step Wall: 6915.08, 0.00319287/step, 2.51492 hours remaining, 233.296875 MB of memory in use. ENERGY: 2164400 4002.9607 20592.2950 14471.7624 257.9447 -203098.5976 2226.2766 0.0000 0.0000 52551.0976 -108996.2606 302.0119 -161547.3582 -108638.5234 300.0523 -230.5409 -202.6919 761687.4979 -15.9773 -15.9298 PRESSURE: 2164600 -74.2055 27.3144 -190.756 27.3145 282.242 -106.576 -190.756 -106.578 117.369 GPRESSURE: 2164600 80.6302 168.881 -201.129 -53.8253 315.375 -104.854 54.5031 -57.1748 13.7166 PRESSAVG: 2164600 -29.3596 67.9546 43.2665 67.9546 13.998 22.0082 43.2665 22.0081 24.8893 GPRESSAVG: 2164600 -29.8111 69.5416 43.8457 67.4733 14.4797 20.668 46.7975 19.2939 24.8064 TIMING: 2164600 CPU: 6915.71, 0.00311964/step Wall: 6915.71, 0.00311964/step, 2.45706 hours remaining, 233.500000 MB of memory in use. ENERGY: 2164600 3946.5912 20511.0569 14497.5545 247.1888 -203393.4698 2753.1619 0.0000 0.0000 52235.9157 -109202.0008 300.2005 -161437.9165 -108840.8740 299.3966 108.4685 136.5738 762910.7926 3.1759 3.1583 PRESSURE: 2164800 -470.075 -16.1348 -120.821 -16.1356 -115.031 218.136 -120.82 218.135 -601.02 GPRESSURE: 2164800 -402.117 -67.4493 -95.8424 92.029 -139.004 188.52 -73.0001 100.96 -530.899 PRESSAVG: 2164800 -13.4922 6.94502 2.45928 6.94498 77.8387 14.0331 2.45933 14.0331 38.1922 GPRESSAVG: 2164800 -12.6368 4.10778 0.377504 9.43707 75.9803 15.5944 2.53776 16.8923 39.0791 TIMING: 2164800 CPU: 6916.34, 0.00313877/step Wall: 6916.34, 0.00313877/step, 2.47196 hours remaining, 233.500000 MB of memory in use. ENERGY: 2164800 4055.9038 20479.5969 14454.9944 266.7654 -203167.5252 2457.0562 0.0000 0.0000 52121.3228 -109331.8857 299.5420 -161453.2085 -108965.7017 299.8580 -395.3750 -357.3402 761371.2958 34.1796 34.1409 PRESSURE: 2165000 241.847 30.5966 -83.2717 30.5964 -13.9636 -89.0813 -83.272 -89.0827 -31.0382 GPRESSURE: 2165000 248.418 67.834 -17.9111 -8.04724 2.52994 -82.1231 -35.8342 3.31057 40.1324 PRESSAVG: 2165000 43.3581 -0.888109 -5.23205 -0.888104 -16.9644 49.1146 -5.23205 49.1147 -11.0406 GPRESSAVG: 2165000 42.1163 2.31953 -3.97192 -3.0477 -15.2237 47.2888 -7.95083 49.6693 -11.8857 TIMING: 2165000 CPU: 6916.96, 0.00312083/step Wall: 6916.96, 0.00312083/step, 2.45766 hours remaining, 233.500000 MB of memory in use. ENERGY: 2165000 4072.8637 20410.8628 14455.6574 241.3388 -203346.7760 2736.6172 0.0000 0.0000 52041.3573 -109388.0788 299.0824 -161429.4361 -109025.4717 299.5116 65.6151 97.0269 762080.9913 5.1177 5.0023 PRESSURE: 2165200 183.057 -175.911 -2.31399 -175.911 371.387 -124.346 -2.31467 -124.347 95.9305 GPRESSURE: 2165200 216.865 -134 114.703 -146.566 381.925 -95.7697 -91.8534 -133.504 126.845 PRESSAVG: 2165200 11.7004 16.6472 43.2562 16.6473 -21.8224 6.0342 43.2562 6.03423 0.376925 GPRESSAVG: 2165200 10.0158 15.255 43.4762 18.6034 -22.0181 6.99216 43.8989 4.72906 2.15525 TIMING: 2165200 CPU: 6917.59, 0.00313328/step Wall: 6917.59, 0.00313328/step, 2.46728 hours remaining, 233.500000 MB of memory in use. ENERGY: 2165200 3991.1649 20418.2166 14499.5476 248.8888 -203697.0367 2864.1246 0.0000 0.0000 52533.0301 -109142.0640 301.9080 -161675.0941 -108767.0764 300.1210 216.7916 241.8783 760861.3956 -3.2484 -3.2823 PRESSURE: 2165400 117.389 -23.2468 -181.397 -23.2467 174.99 -41.8498 -181.397 -41.85 548.106 GPRESSURE: 2165400 119.043 -25.3634 -110.761 69.981 219.602 32.8693 -208.781 -8.2779 580.432 PRESSAVG: 2165400 70.9102 48.5094 -21.5149 48.5095 -54.4969 -17.3123 -21.515 -17.3123 7.34535 GPRESSAVG: 2165400 70.8201 48.9134 -21.7726 47.6049 -52.5229 -18.7692 -20.5807 -14.7108 5.79101 TIMING: 2165400 CPU: 6918.21, 0.00314038/step Wall: 6918.21, 0.00314038/step, 2.4727 hours remaining, 233.500000 MB of memory in use. ENERGY: 2165400 3947.9992 20472.3442 14503.5363 245.9294 -203630.3079 2790.7861 0.0000 0.0000 52416.6062 -109253.1064 301.2390 -161669.7127 -108883.7339 300.4183 280.1616 306.3590 761673.8193 7.9195 8.0294 PRESSURE: 2165600 341.884 -88.5034 118.458 -88.5034 -30.8087 -3.6371 118.458 -3.63585 353.513 GPRESSURE: 2165600 367.818 -147.571 107.8 -79.2075 14.2926 -52.775 44.1901 -49.6062 347.877 PRESSAVG: 2165600 7.22835 -53.23 23.2167 -53.23 -51.2815 -24.8548 23.2167 -24.8548 -18.4717 GPRESSAVG: 2165600 8.59401 -54.5356 25.7844 -53.4505 -52.9735 -22.2324 20.91 -28.0213 -18.2581 TIMING: 2165600 CPU: 6918.84, 0.00312909/step Wall: 6918.84, 0.00312909/step, 2.46364 hours remaining, 233.500000 MB of memory in use. ENERGY: 2165600 3930.6969 20568.7840 14468.6406 240.0060 -203775.8390 2875.6281 0.0000 0.0000 52281.3479 -109410.7355 300.4616 -161692.0834 -109049.4132 300.0926 221.5297 243.3293 759585.1206 -20.8416 -20.8792 PRESSURE: 2165800 102.354 62.5696 139.817 62.5693 88.4166 93.1209 139.817 93.1211 -66.0152 GPRESSURE: 2165800 146.953 21.7081 140.775 69.7663 118.475 -1.32051 106.24 91.2232 -45.917 PRESSAVG: 2165800 -0.96917 -62.0204 32.9861 -62.0205 15.2434 -17.7881 32.9862 -17.788 8.7104 GPRESSAVG: 2165800 -1.37646 -62.3656 31.176 -63.2853 15.0644 -19.3652 32.294 -18.8771 9.81025 TIMING: 2165800 CPU: 6919.46, 0.00312407/step Wall: 6919.46, 0.00312407/step, 2.45951 hours remaining, 233.500000 MB of memory in use. ENERGY: 2165800 3883.0931 20536.2179 14450.6923 251.0575 -203622.1455 2788.6559 0.0000 0.0000 52277.7739 -109434.6549 300.4411 -161712.4288 -109073.3047 299.7336 41.5853 73.1703 762784.4306 7.6615 7.8327 PRESSURE: 2166000 426.601 -39.6348 -34.6346 -39.634 38.5466 -25.0286 -34.6343 -25.029 90.0798 GPRESSURE: 2166000 485.575 -69.8233 8.88653 -50.5276 94.2575 -34.0228 -6.25659 53.912 72.4288 PRESSAVG: 2166000 -0.869321 -5.25101 62.3731 -5.251 -67.8489 26.4897 62.3731 26.4897 21.5612 GPRESSAVG: 2166000 -0.226133 -2.27202 60.3739 -4.22762 -67.7382 26.9363 63.3668 26.9471 20.4235 TIMING: 2166000 CPU: 6920.09, 0.00311969/step Wall: 6920.09, 0.00311969/step, 2.45589 hours remaining, 233.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 3971.6655 20547.6657 14473.8096 241.8141 -203869.9945 2817.2401 0.0000 0.0000 52231.5982 -109586.2012 300.1757 -161817.7994 -109220.5015 299.3150 185.0757 217.4206 760593.8694 -15.7190 -15.8469 PRESSURE: 2166200 -261.13 143.446 -5.85023 143.446 112.428 80.6036 -5.85113 80.6031 135.28 GPRESSURE: 2166200 -188.829 96.5852 -41.1818 13.442 90.6458 227.059 143.493 91.2287 168.255 PRESSAVG: 2166200 22.7092 8.97455 41.5321 8.97454 7.01118 -31.0226 41.5321 -31.0227 21.5903 GPRESSAVG: 2166200 22.4965 8.61546 43.4601 8.46746 6.41149 -30.3242 41.8777 -31.9991 22.5496 TIMING: 2166200 CPU: 6920.71, 0.00312253/step Wall: 6920.71, 0.00312253/step, 2.45795 hours remaining, 233.500000 MB of memory in use. ENERGY: 2166200 3980.3390 20492.3572 14442.7083 238.0833 -204281.4141 3139.2100 0.0000 0.0000 52351.6462 -109637.0701 300.8656 -161988.7163 -109268.8112 299.2693 -4.4739 23.3575 761441.2529 17.1036 17.1525 PRESSURE: 2166400 175.234 16.0298 117.812 16.0298 -327.064 196.45 117.813 196.451 -59.5887 GPRESSURE: 2166400 229.345 105.171 51.2486 51.8673 -300.603 174.352 95.1875 85.1074 -57.822 PRESSAVG: 2166400 28.5693 -13.79 45.0828 -13.79 17.7932 32.3803 45.0828 32.3803 -42.3098 GPRESSAVG: 2166400 27.5644 -14.9685 44.2718 -13.2493 17.8964 31.6336 46.873 32.6687 -41.2166 TIMING: 2166400 CPU: 6921.34, 0.00311478/step Wall: 6921.34, 0.00311478/step, 2.45168 hours remaining, 233.500000 MB of memory in use. ENERGY: 2166400 3910.0759 20519.0639 14497.7428 267.3630 -203681.9316 2920.3684 0.0000 0.0000 51941.5904 -109625.7270 298.5090 -161567.3174 -109252.0482 299.0441 -70.4731 -43.0267 762132.4100 1.3509 1.4148 PRESSURE: 2166600 196.121 33.4465 120.698 33.4473 14.6209 58.5929 120.698 58.5929 -126.351 GPRESSURE: 2166600 177.21 -3.02267 155.827 123.336 103.425 43.1202 63.3238 70.4104 -95.3506 PRESSAVG: 2166600 15.8525 -23.2746 31.6878 -23.2745 -11.1791 -39.2481 31.6878 -39.248 -8.45639 GPRESSAVG: 2166600 16.6672 -21.42 31.9598 -22.9971 -10.872 -40.1728 30.4701 -39.0172 -10.2139 TIMING: 2166600 CPU: 6921.96, 0.003127/step Wall: 6921.96, 0.003127/step, 2.46112 hours remaining, 233.500000 MB of memory in use. ENERGY: 2166600 4002.5766 20431.9713 14564.3591 248.0859 -204040.9325 3018.6517 0.0000 0.0000 52593.2921 -109181.9958 302.2544 -161775.2879 -108808.2839 299.8230 28.1302 61.7615 760366.3576 -1.2610 -1.4729 PRESSURE: 2166800 -51.2883 43.4764 -129.767 43.4759 -232.506 -33.0379 -129.766 -33.0377 -298.929 GPRESSURE: 2166800 1.54573 19.9737 -208.974 63.4043 -233.447 -36.4063 -13.8498 -116.785 -256.842 PRESSAVG: 2166800 17.305 0.354689 -30.8633 0.354672 -3.90987 17.0359 -30.8634 17.036 -14.1799 GPRESSAVG: 2166800 15.8159 -1.02032 -30.0302 0.060359 -2.51303 18.2595 -30.2748 17.5344 -13.7698 TIMING: 2166800 CPU: 6922.59, 0.00313751/step Wall: 6922.59, 0.00313751/step, 2.46922 hours remaining, 233.703125 MB of memory in use. ENERGY: 2166800 4038.4771 20499.4409 14516.7334 231.9669 -202956.2060 2176.6932 0.0000 0.0000 52140.0309 -109352.8636 299.6495 -161492.8945 -108989.5175 300.0529 -194.2412 -162.9144 761909.1017 -0.2616 -0.1557 PRESSURE: 2167000 102.926 38.7441 -58.5135 38.7442 30.0706 -24.8112 -58.5135 -24.8125 268.003 GPRESSURE: 2167000 147.184 11.414 -66.514 2.46454 88.3153 -57.3969 87.4064 81.7554 267.598 PRESSAVG: 2167000 -10.9201 -36.1181 25.456 -36.1181 -90.9516 -9.90239 25.4559 -9.90246 22.6326 GPRESSAVG: 2167000 -8.88709 -37.3233 26.235 -36.6724 -92.514 -11.3314 22.4326 -9.0631 22.7778 TIMING: 2167000 CPU: 6923.22, 0.00312958/step Wall: 6923.22, 0.00312958/step, 2.4628 hours remaining, 233.703125 MB of memory in use. ENERGY: 2167000 4088.8270 20513.3567 14546.3815 245.0642 -203602.4190 2724.9199 0.0000 0.0000 52022.5359 -109461.3338 298.9742 -161483.8696 -109099.9128 299.5181 133.6666 167.6993 760942.8180 -26.4130 -26.2078 PRESSURE: 2167200 -52.7015 -128.937 44.7542 -128.937 -212.943 26.5334 44.7549 26.5349 -96.4594 GPRESSURE: 2167200 -20.7066 -48.9226 149.836 -108.908 -167.136 -59.973 -40.2223 143.919 -103.609 PRESSAVG: 2167200 13.7729 -53.6322 -10.5919 -53.6323 5.45234 18.2694 -10.592 18.2694 5.90049 GPRESSAVG: 2167200 12.6335 -51.7657 -9.36701 -53.6452 6.3831 18.7524 -9.86496 18.2842 5.69416 TIMING: 2167200 CPU: 6923.84, 0.00312259/step Wall: 6923.84, 0.00312259/step, 2.45713 hours remaining, 233.703125 MB of memory in use. ENERGY: 2167200 4016.7337 20689.7249 14352.1032 246.6736 -203405.3453 2484.3735 0.0000 0.0000 52003.2008 -109612.5356 298.8631 -161615.7364 -109251.7893 299.2121 -120.7013 -97.1504 760165.5040 8.3752 8.2369 PRESSURE: 2167400 258.717 -152.953 102.908 -152.953 230.171 -102.445 102.907 -102.445 192.101 GPRESSURE: 2167400 311.186 -54.0733 148.959 -265.996 225.754 -86.6627 80.2128 -71.8669 224.943 PRESSAVG: 2167400 -13.6849 -87.9245 -2.16637 -87.9245 -2.88907 7.52255 -2.16639 7.5225 -2.98761 GPRESSAVG: 2167400 -13.0119 -88.554 -4.01307 -87.7069 -4.23202 7.43892 -0.124969 8.41271 -2.16052 TIMING: 2167400 CPU: 6924.47, 0.00314837/step Wall: 6924.47, 0.00314837/step, 2.47724 hours remaining, 233.703125 MB of memory in use. ENERGY: 2167400 3949.3300 20480.6934 14472.7344 245.1690 -203484.6794 2637.6772 0.0000 0.0000 51960.5576 -109738.5178 298.6180 -161699.0754 -109360.1969 298.8107 226.9962 253.9607 759296.8791 -6.5205 -6.4681 PRESSURE: 2167600 79.8262 76.8106 15.6826 76.8105 207.826 99.7779 15.6829 99.7785 439.6 GPRESSURE: 2167600 273.411 52.5107 117.802 39.9765 73.4527 125.537 -65.8975 62.435 459.527 PRESSAVG: 2167600 -18.5229 -1.42467 -11.7464 -1.42468 49.0589 -18.8848 -11.7465 -18.8848 26.8038 GPRESSAVG: 2167600 -19.1128 0.98817 -11.647 -1.2029 50.0602 -17.6231 -12.5137 -21.8869 26.3491 TIMING: 2167600 CPU: 6925.1, 0.00313505/step Wall: 6925.1, 0.00313505/step, 2.46659 hours remaining, 233.703125 MB of memory in use. ENERGY: 2167600 3986.5281 20406.0280 14462.9468 250.9870 -203334.3500 2470.1943 0.0000 0.0000 51958.6247 -109799.0411 298.6069 -161757.6658 -109427.7521 299.3871 242.4175 268.7969 759663.0941 19.1133 19.0988 PRESSURE: 2167800 102.104 -29.8293 193.986 -29.8288 -501.48 -12.422 193.986 -12.4229 139.898 GPRESSURE: 2167800 69.6981 -55.5779 163.878 -129.225 -365.815 -38.5529 204.315 -42.0921 122.921 PRESSAVG: 2167800 31.5153 -10.5768 -19.7303 -10.5768 -60.7126 -9.2513 -19.7303 -9.25131 -12.7478 GPRESSAVG: 2167800 31.5509 -10.1966 -18.1009 -12.7027 -60.3809 -9.93568 -20.0402 -7.13345 -13.3662 TIMING: 2167800 CPU: 6925.72, 0.00313711/step Wall: 6925.72, 0.00313711/step, 2.46803 hours remaining, 233.703125 MB of memory in use. ENERGY: 2167800 4033.8881 20484.3245 14463.0328 232.5203 -203167.1717 2315.8448 0.0000 0.0000 51957.2227 -109680.3386 298.5989 -161637.5613 -109321.8621 298.6641 -86.4925 -57.7320 759571.4211 -13.9817 -14.0654 PRESSURE: 2168000 -272.691 175.377 -12.0354 175.377 -339.593 184.716 -12.0356 184.717 -120.032 GPRESSURE: 2168000 -273.946 228.746 5.44219 206.36 -236.852 61.227 127.085 123.881 -132.408 PRESSAVG: 2168000 -30.1887 8.32284 25.6207 8.32279 -13.1233 27.1947 25.6207 27.1947 -22.7044 GPRESSAVG: 2168000 -30.5533 6.24408 25.0676 9.67483 -13.6623 27.2116 24.2802 27.3263 -21.7311 TIMING: 2168000 CPU: 6926.35, 0.00312678/step Wall: 6926.35, 0.00312678/step, 2.45973 hours remaining, 233.703125 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: 2168000 4003.4955 20495.2570 14486.5341 261.2726 -203171.9396 2248.0647 0.0000 0.0000 52246.4467 -109430.8690 300.2610 -161677.3158 -109062.0412 299.0431 -244.1057 -214.4023 759966.4992 -22.0055 -21.9822 PRESSURE: 2168200 59.099 -280.663 31.8235 -280.664 150.903 -150.233 31.8238 -150.233 -236.023 GPRESSURE: 2168200 113.736 -191.291 49.1287 -160.582 103.709 -136.849 156.306 -101.561 -167.25 PRESSAVG: 2168200 -18.9765 16.806 14.518 16.806 22.0419 27.001 14.518 27.001 23.0818 GPRESSAVG: 2168200 -17.8612 17.5353 13.4621 17.6427 20.0656 26.4376 17.5721 27.7979 23.711 TIMING: 2168200 CPU: 6926.97, 0.00312904/step Wall: 6926.97, 0.00312904/step, 2.46134 hours remaining, 233.703125 MB of memory in use. ENERGY: 2168200 3993.7675 20479.0927 14447.2153 221.0267 -203077.0441 2424.6121 0.0000 0.0000 52161.7502 -109349.5796 299.7743 -161511.3299 -108984.8742 299.4497 -8.6736 16.7318 760446.4496 8.7158 8.6385 LDB: ============= START OF LOAD BALANCING ============== 6939.4 LDB: ============== END OF LOAD BALANCING =============== 6939.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6939.4 LDB: ============= START OF LOAD BALANCING ============== 6939.71 LDB: Largest compute 7033 load 0.033741 is 17.3% of average load 0.195373 LDB: Average compute 0.004418 is 2.3% of average load 0.195373 LDB: TIME 6939.72 LOAD: AVG 0.195373 MAX 0.210492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.723 MB LDB: TIME 6939.72 LOAD: AVG 0.195373 MAX 0.210492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: TIME 6939.72 LOAD: AVG 0.195373 MAX 0.210492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: ============== END OF LOAD BALANCING =============== 6939.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6939.73 PRESSURE: 2168400 -135.41 -196.199 -115.537 -196.2 166.826 -15.4081 -115.539 -15.4086 -172.109 GPRESSURE: 2168400 -79.1309 -155.12 -147.144 -213.523 145.687 27.1459 -204.292 43.2934 -119.477 PRESSAVG: 2168400 12.5716 -28.3756 36.8589 -28.3756 -5.51331 80.3257 36.8588 80.3257 14.9251 GPRESSAVG: 2168400 12.0553 -27.4362 37.007 -27.2754 -4.74415 80.9898 35.7101 82.5227 14.442 TIMING: 2168400 CPU: 6927.62, 0.00322112/step Wall: 6927.62, 0.00322112/step, 2.53359 hours remaining, 235.039062 MB of memory in use. ENERGY: 2168400 4002.5581 20317.5676 14476.6213 244.3662 -203006.6226 2490.0453 0.0000 0.0000 52070.4979 -109404.9662 299.2499 -161475.4641 -109034.8958 299.2284 -46.8977 -17.6405 760311.4095 7.3278 7.2511 PRESSURE: 2168600 -239.71 -12.1461 -200.299 -12.1464 120.742 -268.924 -200.3 -268.923 -237.191 GPRESSURE: 2168600 -58.9293 -89.1709 -195.772 -9.17903 45.1029 -348.505 -199.578 -170.902 -259.811 PRESSAVG: 2168600 22.5838 16.2749 18.6349 16.2749 -16.7019 31.9895 18.635 31.9895 16.0869 GPRESSAVG: 2168600 23.994 15.5749 18.5769 15.6894 -16.6489 31.5846 19.1326 30.8694 15.312 TIMING: 2168600 CPU: 6928.25, 0.00315996/step Wall: 6928.25, 0.00315995/step, 2.4853 hours remaining, 235.179688 MB of memory in use. ENERGY: 2168600 3925.2698 20418.7261 14543.4546 252.3673 -202631.9245 2199.9964 0.0000 0.0000 51996.6174 -109295.4928 298.8253 -161292.1102 -108926.0104 299.5915 -118.7195 -91.2125 761896.1796 7.3229 7.5523 PRESSURE: 2168800 -72.3997 145.372 116.149 145.372 150.218 172.991 116.15 172.991 240.89 GPRESSURE: 2168800 30.5302 275.192 119.123 182.437 126.248 156.925 186.806 162.946 261.394 PRESSAVG: 2168800 51.8448 15.2077 -32.9927 15.2077 -26.3242 10.8668 -32.9927 10.8668 -4.5505 GPRESSAVG: 2168800 51.3526 14.1917 -32.3544 14.7662 -26.537 10.7549 -33.7696 11.1574 -3.99303 TIMING: 2168800 CPU: 6928.88, 0.0031677/step Wall: 6928.88, 0.0031677/step, 2.49122 hours remaining, 235.179688 MB of memory in use. ENERGY: 2168800 3930.3298 20449.5411 14404.2261 266.8654 -202888.8638 2560.5969 0.0000 0.0000 52132.4858 -109144.8187 299.6061 -161277.3045 -108775.8501 299.9111 106.2364 139.3905 760723.4719 6.9900 6.9408 PRESSURE: 2169000 -16.3483 -177.793 -11.5378 -177.794 30.7134 2.50431 -11.5379 2.50373 170.548 GPRESSURE: 2169000 -15.807 -161.405 18.3266 -138.529 92.1926 6.75575 -50.0359 -38.6377 186.268 PRESSAVG: 2169000 -6.43703 25.2987 -1.97502 25.2987 7.51486 -41.7747 -1.97501 -41.7747 -4.85077 GPRESSAVG: 2169000 -9.64112 25.4838 -1.94124 25.3053 9.59194 -40.9633 -1.49054 -43.365 -3.62149 TIMING: 2169000 CPU: 6929.51, 0.00314085/step Wall: 6929.51, 0.00314085/step, 2.46993 hours remaining, 235.179688 MB of memory in use. ENERGY: 2169000 4025.9865 20415.8512 14443.5692 225.5254 -203454.8819 2784.6450 0.0000 0.0000 52289.1869 -109270.1178 300.5067 -161559.3047 -108893.7645 299.9214 61.6378 87.5511 760733.4565 -1.2576 -1.2236 PRESSURE: 2169200 43.3686 140.098 -22.4754 140.099 8.64777 -61.0619 -22.4748 -61.0619 -274.024 GPRESSURE: 2169200 102.112 193.327 -20.5519 168.549 -40.2014 -32.2939 -87.0259 -53.3524 -215.513 PRESSAVG: 2169200 34.1709 -44.1654 -23.3947 -44.1654 -25.3668 20.9292 -23.3947 20.9291 13.0875 GPRESSAVG: 2169200 36.0206 -43.1204 -23.8637 -46.0834 -27.3631 21.9901 -26.6446 21.7455 12.7671 TIMING: 2169200 CPU: 6930.14, 0.00312228/step Wall: 6930.14, 0.00312228/step, 2.45515 hours remaining, 235.179688 MB of memory in use. ENERGY: 2169200 3969.9432 20574.4666 14462.3521 248.4635 -202717.6520 2155.6193 0.0000 0.0000 52117.3873 -109189.4201 299.5193 -161306.8073 -108829.1257 299.9769 -74.0027 -51.2010 762781.2791 7.2972 7.1415 PRESSURE: 2169400 -162.746 57.0712 -33.7026 57.0717 168.581 189.454 -33.7026 189.454 301.648 GPRESSURE: 2169400 -96.0577 -48.4316 -41.2647 132.168 106.902 218.299 41.1163 167.896 379.018 PRESSAVG: 2169400 35.8601 -31.6006 5.99642 -31.6005 5.03592 -26.911 5.99638 -26.9111 24.9977 GPRESSAVG: 2169400 35.8536 -32.4627 6.56396 -31.3819 5.8971 -27.0739 8.20224 -28.7409 24.5072 TIMING: 2169400 CPU: 6930.76, 0.00313092/step Wall: 6930.76, 0.00313092/step, 2.46177 hours remaining, 235.179688 MB of memory in use. ENERGY: 2169400 3969.9705 20574.9802 14496.9060 241.9530 -203473.7705 2717.0552 0.0000 0.0000 52234.3242 -109238.5813 300.1914 -161472.9055 -108865.1864 300.3598 102.4941 129.9540 762222.2393 21.9646 22.0860 PRESSURE: 2169600 -82.3131 -0.559671 87.4766 -0.560445 -404.176 38.0106 87.4771 38.0097 -541.624 GPRESSURE: 2169600 -50.2106 -69.2767 141.206 163.08 -431.649 18.7775 131.075 80.4402 -476.239 PRESSAVG: 2169600 70.5762 -20.0165 18.0222 -20.0165 -35.9994 0.207848 18.0222 0.207865 -10.5053 GPRESSAVG: 2169600 72.2595 -20.6207 17.3019 -18.5532 -37.3621 -0.48717 16.9319 0.161654 -11.1952 TIMING: 2169600 CPU: 6931.39, 0.00312346/step Wall: 6931.39, 0.00312346/step, 2.45573 hours remaining, 235.179688 MB of memory in use. ENERGY: 2169600 4010.4700 20580.2337 14538.9352 246.9995 -202866.2630 2298.0668 0.0000 0.0000 51932.5872 -109258.9706 298.4573 -161191.5578 -108891.5899 299.9844 -342.7044 -319.3661 762282.3626 8.0238 7.9007 PRESSURE: 2169800 21.0874 -156.986 -84.5809 -156.986 33.1106 -217.096 -84.5803 -217.097 375.149 GPRESSURE: 2169800 53.4747 -118.306 -117.303 -169.14 93.6352 -180.707 -31.146 -202.215 392.567 PRESSAVG: 2169800 62.9143 -6.91429 -33.3138 -6.91431 -59.2306 -9.57789 -33.3139 -9.57789 -6.05229 GPRESSAVG: 2169800 63.0873 -6.64316 -33.6713 -6.44522 -60.1089 -8.07751 -33.8252 -9.89719 -5.05014 TIMING: 2169800 CPU: 6932.01, 0.00313185/step Wall: 6932.01, 0.00313185/step, 2.46216 hours remaining, 235.179688 MB of memory in use. ENERGY: 2169800 3958.3886 20420.0969 14443.3672 257.1316 -203287.0202 2748.4464 0.0000 0.0000 52277.9316 -109181.6581 300.4420 -161459.5897 -108815.5882 299.8853 143.1158 179.8923 762459.1618 -0.7895 -0.6906 PRESSURE: 2170000 205.482 38.07 65.4539 38.0695 153.759 -49.8873 65.4537 -49.8873 -360.395 GPRESSURE: 2170000 83.0881 -15.5077 59.4329 128.705 270.054 -169.237 181.182 131.878 -251.567 PRESSAVG: 2170000 3.22249 -19.9578 -12.3206 -19.9577 35.8404 -23.5652 -12.3207 -23.5652 35.9671 GPRESSAVG: 2170000 1.63427 -18.7665 -12.248 -21.7603 36.2148 -25.6066 -11.6016 -21.1069 36.6672 TIMING: 2170000 CPU: 6932.64, 0.00312582/step Wall: 6932.64, 0.00312582/step, 2.45724 hours remaining, 235.179688 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: 2170000 4011.5496 20432.9176 14521.0977 245.9373 -203439.9859 2715.8745 0.0000 0.0000 52298.7499 -109213.8593 300.5616 -161512.6092 -108853.8410 300.0581 -0.3844 33.8583 761327.9798 25.0100 24.8387 PRESSURE: 2170200 0.411651 68.6596 382.17 68.6596 -89.9003 -20.2203 382.17 -20.2209 -54.4745 GPRESSURE: 2170200 65.816 50.2774 271.109 97.3023 -90.0767 -10.2311 299.403 -48.3287 -16.8832 PRESSAVG: 2170200 57.6598 17.0136 -15.6579 17.0137 -37.534 -43.8173 -15.6579 -43.8174 10.3354 GPRESSAVG: 2170200 57.6802 17.0307 -15.9471 19.8355 -36.6682 -43.726 -15.3815 -43.37 10.0412 TIMING: 2170200 CPU: 6933.27, 0.0031411/step Wall: 6933.27, 0.0031411/step, 2.46908 hours remaining, 235.179688 MB of memory in use. ENERGY: 2170200 4124.7904 20522.3072 14522.8878 253.7627 -203195.4992 2512.8217 0.0000 0.0000 51937.9765 -109320.9527 298.4883 -161258.9293 -108962.5582 299.6786 -47.9877 -13.7146 763363.4282 10.1537 10.3511 PRESSURE: 2170400 -263.727 51.3336 271.823 51.3352 -119.847 -42.1126 271.823 -42.1136 227.004 GPRESSURE: 2170400 -242.432 172.488 218.616 43.0265 -76.576 -79.4864 232.174 -8.2994 254.105 PRESSAVG: 2170400 45.9525 52.8918 12.5718 52.8918 -65.8286 -24.6516 12.5718 -24.6517 11.889 GPRESSAVG: 2170400 45.2847 53.7362 11.7678 52.5031 -64.475 -22.7737 13.5578 -25.7893 11.4002 TIMING: 2170400 CPU: 6933.9, 0.00315771/step Wall: 6933.9, 0.00315771/step, 2.48196 hours remaining, 235.179688 MB of memory in use. ENERGY: 2170400 4053.5961 20506.7969 14466.1452 244.4021 -203135.9821 2429.2154 0.0000 0.0000 52026.9902 -109408.8362 298.9998 -161435.8264 -109034.3412 299.7296 -52.1899 -21.6343 760846.2354 -2.6623 -2.5967 PRESSURE: 2170600 180.39 -123.929 -21.7335 -123.929 -38.5276 -167.744 -21.7346 -167.745 -160.825 GPRESSURE: 2170600 270.337 -49.7886 0.695241 -49.3202 -8.8878 -166.57 64.9951 9.80958 -207.86 PRESSAVG: 2170600 68.2293 -50.056 80.7734 -50.056 -47.7944 -34.5701 80.7735 -34.5701 -19.0431 GPRESSAVG: 2170600 68.7646 -51.2932 80.6109 -51.1522 -48.7774 -36.8682 79.5228 -35.2851 -19.2913 TIMING: 2170600 CPU: 6934.53, 0.0031436/step Wall: 6934.53, 0.0031436/step, 2.4707 hours remaining, 235.179688 MB of memory in use. ENERGY: 2170600 4033.6294 20520.1738 14533.9472 230.7374 -203208.9697 2545.8737 0.0000 0.0000 52079.9156 -109264.6926 299.3040 -161344.6081 -108904.7334 299.6579 -6.3208 17.8633 762254.6773 0.4639 0.2320 PRESSURE: 2170800 -3.8261 -151.814 -294.145 -151.815 -463.946 1.26112 -294.145 1.26085 -392.902 GPRESSURE: 2170800 46.0359 -194.474 -272.832 -199.58 -476.636 -87.5128 -190.906 29.2045 -347.087 PRESSAVG: 2170800 67.0267 -3.34285 15.5924 -3.34286 -68.5358 -44.5825 15.5924 -44.5824 -6.04472 GPRESSAVG: 2170800 66.0907 -2.52876 17.9759 -4.08086 -69.7981 -43.6663 15.3476 -41.9795 -3.97403 TIMING: 2170800 CPU: 6935.16, 0.00314464/step Wall: 6935.16, 0.00314464/step, 2.47134 hours remaining, 235.179688 MB of memory in use. ENERGY: 2170800 4074.1602 20319.0700 14473.5419 252.2271 -203007.5845 2335.4843 0.0000 0.0000 52293.3487 -109259.7523 300.5306 -161553.1010 -108892.4845 299.9844 -286.8914 -259.2288 762631.1717 -2.5180 -2.5605 PRESSURE: 2171000 -369.773 135.344 110.235 135.345 121.322 -126.591 110.235 -126.592 126.363 GPRESSURE: 2171000 -315.055 159.31 195.098 112.245 191.626 -134.229 64.596 -225.642 80.6498 PRESSAVG: 2171000 29.8923 -37.7467 37.165 -37.7466 -21.4856 -39.916 37.1651 -39.9159 -10.3881 GPRESSAVG: 2171000 31.7362 -37.1612 35.3987 -37.5579 -22.1614 -39.4639 38.3093 -43.3996 -11.583 TIMING: 2171000 CPU: 6935.78, 0.00312875/step Wall: 6935.78, 0.00312876/step, 2.45868 hours remaining, 235.179688 MB of memory in use. ENERGY: 2171000 3916.6444 20517.3890 14492.5634 262.3630 -203453.7770 2790.7018 0.0000 0.0000 52104.0883 -109370.0271 299.4429 -161474.1154 -109009.6104 299.6508 -40.6959 -14.2596 761248.4831 -0.6605 -0.6694 PRESSURE: 2171200 -219.168 -127.754 -35.3428 -127.756 -256.707 198.743 -35.3432 198.744 -199.585 GPRESSURE: 2171200 -219.036 -135.77 14.2462 -93.05 -276.849 189.524 25.5025 45.4965 -81.1908 PRESSAVG: 2171200 46.4484 26.0602 19.7718 26.0601 -10.613 -8.51727 19.7718 -8.51715 8.42461 GPRESSAVG: 2171200 46.1272 25.5903 18.4993 26.0185 -10.5554 -8.88013 20.2025 -7.92762 8.06499 TIMING: 2171200 CPU: 6936.41, 0.00313694/step Wall: 6936.41, 0.00313694/step, 2.46493 hours remaining, 235.179688 MB of memory in use. ENERGY: 2171200 3992.8245 20696.8917 14465.7278 244.5807 -203360.3506 2510.3833 0.0000 0.0000 51871.3255 -109578.6173 298.1052 -161449.9428 -109224.1477 299.2654 -225.1532 -192.3587 761135.1354 14.7533 14.5456 PRESSURE: 2171400 233.191 71.7379 -43.4509 71.7385 20.9774 -86.6993 -43.4505 -86.6993 204.425 GPRESSURE: 2171400 287.842 -65.7875 48.7113 60.2702 57.9606 -131.057 -133.43 -73.2089 196.892 PRESSAVG: 2171400 5.43845 -25.3992 -23.9515 -25.3992 28.7243 9.28957 -23.9515 9.28959 18.4126 GPRESSAVG: 2171400 3.82724 -26.1232 -21.1876 -23.0253 28.9152 8.51679 -26.3975 7.78441 19.698 TIMING: 2171400 CPU: 6937.04, 0.00313431/step Wall: 6937.04, 0.00313431/step, 2.46269 hours remaining, 235.179688 MB of memory in use. ENERGY: 2171400 3935.2968 20617.8320 14487.0053 269.8063 -204100.3599 3052.4285 0.0000 0.0000 52208.3397 -109529.6512 300.0420 -161737.9909 -109160.3726 299.8186 152.8643 180.8980 761481.2616 17.5251 17.4802 PRESSURE: 2171600 98.6498 156.794 -59.7772 156.794 -323.273 -117.028 -59.7773 -117.027 28.693 GPRESSURE: 2171600 110.781 93.3637 -77.5112 186.949 -255.579 -86.6762 -100.477 -130.516 36.3102 PRESSAVG: 2171600 12.988 -19.7553 -22.6147 -19.7554 4.05857 -7.34792 -22.6147 -7.34795 -10.6002 GPRESSAVG: 2171600 14.2721 -20.2039 -22.4272 -20.7593 4.55873 -5.41365 -19.4576 -6.17934 -12.7922 TIMING: 2171600 CPU: 6937.67, 0.00314121/step Wall: 6937.67, 0.00314121/step, 2.46795 hours remaining, 235.179688 MB of memory in use. ENERGY: 2171600 4016.1027 20628.2845 14427.6031 250.0396 -203587.9556 2424.9524 0.0000 0.0000 52247.2646 -109593.7085 300.2657 -161840.9731 -109234.9090 299.0326 -65.3101 -36.1628 761785.5676 2.1488 2.0129 PRESSURE: 2171800 -266.932 -52.7559 114.634 -52.7564 284.599 -23.8767 114.634 -23.8759 -429.457 GPRESSURE: 2171800 -198.622 26.7362 200.52 -44.8389 228.414 49.5353 71.1953 -49.3547 -353.605 PRESSAVG: 2171800 -63.4698 -8.19512 10.7125 -8.19506 10.1951 -26.1893 10.7124 -26.1894 14.7496 GPRESSAVG: 2171800 -63.1465 -7.10876 10.8201 -10.58 9.69657 -28.8694 8.19852 -24.5338 15.4775 TIMING: 2171800 CPU: 6938.29, 0.00311601/step Wall: 6938.29, 0.00311601/step, 2.44797 hours remaining, 235.179688 MB of memory in use. ENERGY: 2171800 4003.9532 20703.7927 14487.6437 250.4000 -203769.6788 2934.8376 0.0000 0.0000 51881.1080 -109507.9435 298.1614 -161389.0515 -109151.0646 299.2625 -137.2633 -107.9380 762121.6265 -12.8417 -12.6575 PRESSURE: 2172000 234.334 -8.88472 -186.296 -8.88436 339.212 -223.059 -186.296 -223.059 138.012 GPRESSURE: 2172000 244.362 52.1078 -207.051 -28.7258 365.842 -252.069 -115.353 -132.325 196.813 PRESSAVG: 2172000 20.2288 -23.5724 -4.64521 -23.5723 -17.6344 -86.4227 -4.64527 -86.4228 -22.1535 GPRESSAVG: 2172000 18.9037 -24.2749 -5.06877 -20.8891 -17.594 -84.9297 -2.84205 -88.4918 -21.107 TIMING: 2172000 CPU: 6938.92, 0.00313251/step Wall: 6938.92, 0.00313251/step, 2.46076 hours remaining, 235.179688 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: 2172000 3994.4569 20589.4337 14496.8397 251.4777 -203809.3250 2987.2245 0.0000 0.0000 51996.9944 -109492.8981 298.8274 -161489.8924 -109125.5168 299.1461 237.1861 269.0055 761347.0712 -6.5197 -6.5991 PRESSURE: 2172200 -99.8697 -258.574 -121.233 -258.575 -166.785 -55.9053 -121.233 -55.9053 -90.5579 GPRESSURE: 2172200 -63.798 -200.39 -51.396 -262.489 -122.081 -82.1146 -192.965 -93.9172 -94.9586 PRESSAVG: 2172200 11.381 -41.0439 -49.7176 -41.0439 -2.3742 22.1444 -49.7176 22.1444 21.0646 GPRESSAVG: 2172200 12.497 -40.7508 -51.3084 -40.6776 -3.19332 22.68 -49.4554 22.1318 20.6203 TIMING: 2172200 CPU: 6939.54, 0.00314879/step Wall: 6939.54, 0.00314879/step, 2.47337 hours remaining, 235.179688 MB of memory in use. ENERGY: 2172200 4022.7796 20418.0649 14482.9704 253.4729 -203655.6093 2674.9592 0.0000 0.0000 52117.2413 -109686.1209 299.5185 -161803.3623 -109319.7542 298.8652 -119.0710 -93.6124 761337.9553 10.0238 9.9746 LDB: ============= START OF LOAD BALANCING ============== 6951.97 LDB: ============== END OF LOAD BALANCING =============== 6951.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6951.97 LDB: ============= START OF LOAD BALANCING ============== 6952.28 LDB: Largest compute 7032 load 0.033914 is 17.4% of average load 0.195441 LDB: Average compute 0.004365 is 2.2% of average load 0.195441 LDB: TIME 6952.29 LOAD: AVG 0.195441 MAX 0.21583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.004 MB LDB: TIME 6952.29 LOAD: AVG 0.195441 MAX 0.21583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 6952.29 LOAD: AVG 0.195441 MAX 0.21583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 6952.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6952.29 PRESSURE: 2172400 -76.6659 -109.478 -138.122 -109.479 3.39206 -9.31971 -138.122 -9.32001 148.102 GPRESSURE: 2172400 -60.6635 -107.109 -144.436 -209.966 125.697 -45.687 -125.903 -26.3951 102.303 PRESSAVG: 2172400 34.175 -52.6748 -32.4445 -52.6748 -19.6123 5.65817 -32.4445 5.65818 -23.3029 GPRESSAVG: 2172400 34.42 -50.7213 -31.0804 -56.251 -19.2953 3.11952 -34.5344 7.75604 -23.9251 TIMING: 2172400 CPU: 6940.19, 0.00320713/step Wall: 6940.19, 0.00320713/step, 2.51902 hours remaining, 234.132812 MB of memory in use. ENERGY: 2172400 3971.1739 20485.4669 14492.2946 261.4513 -203408.9150 2424.6071 0.0000 0.0000 52335.8897 -109438.0314 300.7751 -161773.9211 -109076.1716 299.4952 24.9428 55.7789 762310.6702 -2.9134 -2.9335 PRESSURE: 2172600 76.3612 -130.954 -33.5302 -130.953 -41.2874 83.3176 -33.5299 83.3175 192.293 GPRESSURE: 2172600 94.5374 -178.014 -68.5727 7.38795 40.7787 129.323 -3.13561 58.8913 158.892 PRESSAVG: 2172600 30.4914 9.7736 27.9591 9.77366 -0.256805 0.92228 27.9591 0.922269 12.8392 GPRESSAVG: 2172600 29.6831 7.28846 27.8718 13.0567 0.591175 2.9183 29.8383 0.988631 13.3564 TIMING: 2172600 CPU: 6940.81, 0.0031412/step Wall: 6940.81, 0.0031412/step, 2.46706 hours remaining, 234.132812 MB of memory in use. ENERGY: 2172600 4034.3703 20564.5457 14496.9505 260.3946 -203613.8984 2666.2251 0.0000 0.0000 52053.6807 -109537.7316 299.1532 -161591.4123 -109183.9928 299.7590 75.7890 98.0693 761075.5570 14.3579 14.5436 PRESSURE: 2172800 503.302 223.739 247.758 223.74 -179.192 91.639 247.757 91.638 293.647 GPRESSURE: 2172800 469.127 240.025 194.253 196.541 -78.2135 176.842 139.042 102.693 301.795 PRESSAVG: 2172800 26.3771 33.6894 3.63324 33.6894 -0.765689 -4.43734 3.63326 -4.43732 0.775727 GPRESSAVG: 2172800 26.8583 35.8585 1.78091 31.1206 -0.0440332 -5.2635 3.38987 -6.33963 0.201979 TIMING: 2172800 CPU: 6941.44, 0.00314014/step Wall: 6941.44, 0.00314014/step, 2.46605 hours remaining, 234.132812 MB of memory in use. ENERGY: 2172800 3936.9529 20550.7617 14465.0890 248.8752 -203805.8362 2816.7768 0.0000 0.0000 52176.2896 -109611.0909 299.8579 -161787.3805 -109237.5747 299.5035 205.9193 230.9029 760925.2752 8.7957 9.0054 PRESSURE: 2173000 -118.575 139.605 12.3821 139.605 -245.779 4.90423 12.3818 4.90517 -57.2732 GPRESSURE: 2173000 -77.4023 54.478 -52.3523 48.4063 -255.062 23.7925 -4.52751 -108.488 14.7768 PRESSAVG: 2173000 -25.4723 -6.77157 26.3963 -6.7715 -0.381535 -24.4547 26.3963 -24.4548 4.5877 GPRESSAVG: 2173000 -25.5464 -7.69938 27.7084 -5.67141 -1.44093 -25.5415 25.8351 -24.3417 5.67003 TIMING: 2173000 CPU: 6942.07, 0.00315648/step Wall: 6942.07, 0.00315648/step, 2.47872 hours remaining, 234.132812 MB of memory in use. ENERGY: 2173000 4023.8739 20459.7665 14468.0299 255.8423 -203732.9028 2674.4260 0.0000 0.0000 52140.1123 -109710.8518 299.6499 -161850.9642 -109348.9415 298.9983 -140.5423 -105.8960 761875.4991 -7.0887 -7.1058 PRESSURE: 2173200 -255.443 125.142 153.195 125.142 93.8371 -6.9729 153.195 -6.97397 -164.875 GPRESSURE: 2173200 -202.589 143.646 218.198 43.8132 197.953 65.5709 72.4266 31.9094 -233.672 PRESSAVG: 2173200 -17.4932 -35.0426 59.5485 -35.0425 18.8121 -50.5165 59.5485 -50.5164 12.2825 GPRESSAVG: 2173200 -17.4436 -34.2362 60.0804 -34.9865 18.6637 -49.8272 61.1289 -50.1282 12.5959 TIMING: 2173200 CPU: 6942.7, 0.00314113/step Wall: 6942.7, 0.00314113/step, 2.46649 hours remaining, 234.132812 MB of memory in use. ENERGY: 2173200 4080.4829 20596.4735 14545.7323 253.5468 -203600.1115 2546.3527 0.0000 0.0000 51990.1934 -109587.3298 298.7884 -161577.5232 -109224.9814 299.1111 -108.8269 -79.4361 760743.8954 4.5338 4.6053 PRESSURE: 2173400 30.1922 -91.4488 63.6605 -91.4483 -115.034 297.669 63.6599 297.669 40.9805 GPRESSURE: 2173400 41.4579 -138.898 44.952 -63.3417 -19.0408 236.625 19.5098 167.594 39.9172 PRESSAVG: 2173400 -39.4967 -27.8655 12.3303 -27.8655 28.0745 36.899 12.3303 36.8991 -6.89356 GPRESSAVG: 2173400 -39.2878 -29.2721 12.2951 -27.0902 28.1495 37.6283 9.29634 35.1069 -7.57424 TIMING: 2173400 CPU: 6943.33, 0.00315352/step Wall: 6943.33, 0.00315352/step, 2.47604 hours remaining, 234.132812 MB of memory in use. ENERGY: 2173400 4040.7281 20474.0219 14536.7847 245.2466 -203429.0126 2637.3537 0.0000 0.0000 52141.4953 -109353.3822 299.6579 -161494.8775 -108991.5086 299.9163 -14.6204 20.7781 761042.2811 -6.1053 -6.2375 PRESSURE: 2173600 -46.6006 172.832 73.0934 172.832 -132.37 9.71889 73.0934 9.71895 188.71 GPRESSURE: 2173600 19.7021 230.382 105.68 220.476 -83.2999 46.3492 101.248 89.9137 167.38 PRESSAVG: 2173600 -23.1953 -20.9611 -16.6636 -20.961 51.7003 11.6027 -16.6636 11.6027 -8.23631 GPRESSAVG: 2173600 -22.6658 -20.4152 -15.1521 -22.5405 51.1287 9.22735 -14.6916 13.2685 -8.17723 TIMING: 2173600 CPU: 6943.96, 0.00314716/step Wall: 6943.96, 0.00314716/step, 2.47087 hours remaining, 234.132812 MB of memory in use. ENERGY: 2173600 4076.1586 20619.9166 14511.3267 245.5314 -204017.6944 2969.9720 0.0000 0.0000 52046.6057 -109548.1834 299.1126 -161594.7891 -109185.8951 299.5467 3.2464 34.5941 761447.9545 6.7562 6.7619 PRESSURE: 2173800 100.549 -75.9484 -96.5368 -75.9479 -80.9458 -252.412 -96.5364 -252.412 -193.108 GPRESSURE: 2173800 93.6032 -94.6179 -29.9766 -90.4531 -72.5719 -251.548 -152.964 -160.23 -114.756 PRESSAVG: 2173800 -31.8627 -23.8322 20.92 -23.8321 22.9809 4.76975 20.92 4.76973 -13.7299 GPRESSAVG: 2173800 -32.0556 -25.0735 19.0889 -22.6705 22.8905 6.101 21.7175 5.18202 -13.4273 TIMING: 2173800 CPU: 6944.59, 0.0031435/step Wall: 6944.59, 0.0031435/step, 2.46782 hours remaining, 234.132812 MB of memory in use. ENERGY: 2173800 3996.4367 20558.7904 14468.8701 225.9068 -203657.7586 2834.9379 0.0000 0.0000 51941.0013 -109631.8153 298.5056 -161572.8166 -109261.9376 299.4359 -57.8349 -31.2414 763465.3790 -7.5372 -7.5308 PRESSURE: 2174000 -308.861 35.3407 -53.0411 35.3403 -178.807 -91.545 -53.0411 -91.5459 -59.601 GPRESSURE: 2174000 -118.511 243.095 -19.5267 162.56 -247.419 -101.236 31.4654 -136.308 -93.7675 PRESSAVG: 2174000 -37.8626 78.4211 -10.5414 78.4211 41.3002 14.7072 -10.5414 14.7071 -13.2548 GPRESSAVG: 2174000 -38.3087 80.8975 -11.2011 78.9934 42.1177 14.7755 -11.8475 17.1019 -14.0457 TIMING: 2174000 CPU: 6945.22, 0.00313809/step Wall: 6945.22, 0.00313809/step, 2.4634 hours remaining, 234.132812 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: 2174000 4081.9049 20710.3485 14451.3940 244.1997 -203444.3551 2560.9086 0.0000 0.0000 51868.8445 -109526.7549 298.0910 -161395.5994 -109175.3176 298.6561 -182.4231 -153.2327 761738.7448 -3.2724 -3.4122 PRESSURE: 2174200 -171.454 256.349 -494.278 256.349 240.928 -102.87 -494.278 -102.871 66.5619 GPRESSURE: 2174200 -224.469 183.49 -508.716 258.041 339.016 -154.193 -424.018 -94.3329 96.5358 PRESSAVG: 2174200 5.42614 14.7193 49.8058 14.7193 27.3629 -6.00043 49.8058 -6.00041 -21.2017 GPRESSAVG: 2174200 5.16612 13.5164 49.6199 14.2853 27.4228 -4.7916 51.9152 -9.4222 -21.0012 TIMING: 2174200 CPU: 6945.85, 0.00315424/step Wall: 6945.85, 0.00315424/step, 2.4759 hours remaining, 234.132812 MB of memory in use. ENERGY: 2174200 3920.8269 20535.6497 14443.4197 229.0083 -203684.0854 2544.4414 0.0000 0.0000 52366.8835 -109643.8559 300.9532 -162010.7394 -109278.9793 299.3284 45.3452 70.3609 761781.6947 3.8625 3.8626 PRESSURE: 2174400 146.644 -43.3647 42.6304 -43.3644 148.318 -67.8157 42.6303 -67.8144 -339.413 GPRESSURE: 2174400 252.322 -130.039 106.463 -69.4869 161.182 -67.1809 -95.0624 -107.666 -367.539 PRESSAVG: 2174400 21.1728 0.925502 10.7109 0.925476 6.03638 9.1103 10.7109 9.11031 10.9286 GPRESSAVG: 2174400 20.7713 0.439243 9.77268 0.516715 6.00745 5.9842 10.1208 11.6835 11.421 TIMING: 2174400 CPU: 6946.48, 0.00317111/step Wall: 6946.48, 0.00317111/step, 2.48897 hours remaining, 234.132812 MB of memory in use. ENERGY: 2174400 4014.3416 20321.3037 14469.9694 250.9455 -203160.7671 2457.5557 0.0000 0.0000 51915.1186 -109731.5327 298.3569 -161646.6513 -109372.6030 299.0679 -14.8169 15.3215 760062.3808 12.7126 12.7333 PRESSURE: 2174600 294.309 28.6658 -7.96018 28.6652 -1.67482 -212.638 -7.96008 -212.638 -356.152 GPRESSURE: 2174600 265.631 101.24 -28.7641 57.7041 51.6331 -216.009 89.5712 -117.296 -319.48 PRESSAVG: 2174600 24.3849 16.9929 -0.672309 16.9929 -22.2484 -79.6945 -0.672316 -79.6946 -0.863869 GPRESSAVG: 2174600 25.1271 18.5884 -1.23977 16.7328 -22.7338 -77.7828 -2.32783 -80.5901 -1.51802 TIMING: 2174600 CPU: 6947.11, 0.00314784/step Wall: 6947.11, 0.00314784/step, 2.47053 hours remaining, 234.132812 MB of memory in use. ENERGY: 2174600 3962.1941 20651.2289 14508.4790 247.6837 -203349.4829 2642.2228 0.0000 0.0000 51843.0413 -109494.6331 297.9427 -161337.6744 -109128.1560 298.5576 -21.1723 -0.7387 759684.0244 0.4242 0.2918 PRESSURE: 2174800 -277.473 -95.5354 -74.409 -95.5368 47.4393 -105.831 -74.41 -105.831 -176.994 GPRESSURE: 2174800 -280.172 -113.058 -4.81542 26.3651 193.581 -148.759 -95.7675 -163.224 -248.459 PRESSAVG: 2174800 32.7365 -19.8059 -19.658 -19.8059 -28.4559 -20.8104 -19.6579 -20.8104 11.0574 GPRESSAVG: 2174800 32.4618 -21.6317 -18.0044 -18.8699 -28.3328 -22.4301 -17.7943 -21.7195 11.4174 TIMING: 2174800 CPU: 6947.74, 0.00314505/step Wall: 6947.74, 0.00314505/step, 2.46817 hours remaining, 234.132812 MB of memory in use. ENERGY: 2174800 4052.4025 20567.8905 14480.9612 245.5871 -202964.2859 2285.4548 0.0000 0.0000 51822.7368 -109509.2529 297.8260 -161331.9898 -109162.3934 299.2860 -135.6757 -111.6833 759890.4415 5.1127 5.1821 PRESSURE: 2175000 247.66 -38.0555 178.505 -38.0561 -135.388 16.9888 178.505 16.9889 -94.1287 GPRESSURE: 2175000 202.829 34.861 151.163 49.0263 -84.0431 70.372 126.468 -43.7292 -22.0691 PRESSAVG: 2175000 2.04642 -18.545 0.489611 -18.5451 -16.2369 -23.6905 0.489632 -23.6906 3.16462 GPRESSAVG: 2175000 0.49468 -17.1801 -0.632203 -18.2466 -16.0334 -20.7137 0.0925984 -24.6645 4.69 TIMING: 2175000 CPU: 6948.37, 0.00315472/step Wall: 6948.37, 0.00315472/step, 2.47558 hours remaining, 234.132812 MB of memory in use. ENERGY: 2175000 3973.0437 20544.3826 14461.2750 252.8375 -203257.8750 2452.9522 0.0000 0.0000 52218.1680 -109355.2160 300.0985 -161573.3840 -108989.3972 299.5981 6.0477 32.2390 758173.8723 -3.6753 -3.6162 PRESSURE: 2175200 23.3167 192.537 -162.293 192.538 57.6659 -201.973 -162.294 -201.972 219.428 GPRESSURE: 2175200 45.604 159.499 -126.099 162.549 171.028 -264.04 -169.198 -254.269 158.184 PRESSAVG: 2175200 11.3152 -33.9727 -43.7736 -33.9728 -22.8678 -12.8554 -43.7736 -12.8554 25.2463 GPRESSAVG: 2175200 12.942 -36.9777 -41.3533 -34.6859 -22.7076 -13.3194 -42.4557 -12.5951 23.9457 TIMING: 2175200 CPU: 6949, 0.00315486/step Wall: 6949, 0.00315486/step, 2.47551 hours remaining, 234.132812 MB of memory in use. ENERGY: 2175200 3992.8094 20546.0818 14447.6853 248.5084 -203286.1199 2484.1378 0.0000 0.0000 52394.7686 -109172.1287 301.1135 -161566.8973 -108809.0027 300.2496 100.1368 124.9386 759979.2487 4.5646 4.7267 PRESSURE: 2175400 231.258 -392.373 35.0471 -392.372 10.3469 154.018 35.0467 154.018 10.3108 GPRESSURE: 2175400 242.431 -376.098 65.2973 -284.565 24.1559 156.61 -44.6447 73.5078 55.7534 PRESSAVG: 2175400 58.6771 -18.8225 -30.836 -18.8225 -33.7594 -9.95491 -30.836 -9.95493 -19.5974 GPRESSAVG: 2175400 58.4997 -14.4301 -31.3789 -19.7296 -33.6413 -10.9247 -31.8025 -10.4863 -19.684 TIMING: 2175400 CPU: 6949.63, 0.00313317/step Wall: 6949.63, 0.00313317/step, 2.45832 hours remaining, 234.132812 MB of memory in use. ENERGY: 2175400 3937.8723 20625.4987 14477.2432 244.6909 -203503.5527 2721.6561 0.0000 0.0000 52175.6097 -109320.9817 299.8539 -161496.5914 -108963.4492 300.4312 83.9719 107.4469 760012.4347 1.7734 1.7248 PRESSURE: 2175600 498.903 -81.0845 134.474 -81.0844 355.466 -104.211 134.473 -104.21 372.157 GPRESSURE: 2175600 498.01 -178.737 94.8274 0.176958 443.512 -129.835 106.889 -59.5252 385.193 PRESSAVG: 2175600 17.0596 -97.7461 13.1173 -97.746 -5.77109 -86.9923 13.1172 -86.9923 -3.96503 GPRESSAVG: 2175600 16.1172 -101.065 13.9241 -96.5637 -4.06829 -87.101 12.7247 -83.5421 -4.0959 TIMING: 2175600 CPU: 6950.26, 0.00315857/step Wall: 6950.26, 0.00315857/step, 2.47807 hours remaining, 234.132812 MB of memory in use. ENERGY: 2175600 3981.0465 20515.4874 14445.9339 265.7088 -203403.6394 2702.9572 0.0000 0.0000 52151.2463 -109341.2594 299.7139 -161492.5057 -108971.0553 299.6453 408.8420 442.2381 759059.8779 2.4411 2.6510 PRESSURE: 2175800 353.682 -71.2822 147.969 -71.2822 263.882 56.3566 147.969 56.3559 2.08944 GPRESSURE: 2175800 390.8 26.5775 153.187 -161.071 312.021 74.6713 37.8323 80.873 0.63012 PRESSAVG: 2175800 19.3647 -81.4959 -20.1479 -81.496 -14.8162 -1.5927 -20.1479 -1.59272 5.4885 GPRESSAVG: 2175800 21.2639 -78.9699 -21.0977 -84.8072 -16.3216 -0.218811 -20.8739 -3.64173 5.01582 TIMING: 2175800 CPU: 6950.89, 0.00312836/step Wall: 6950.89, 0.00312836/step, 2.4542 hours remaining, 234.132812 MB of memory in use. ENERGY: 2175800 3977.1538 20569.0014 14487.7759 258.8480 -203857.7080 3084.7227 0.0000 0.0000 52219.7710 -109260.4351 300.1077 -161480.2061 -108891.4333 300.3401 206.5512 234.4838 759896.3304 3.3457 3.3194 PRESSURE: 2176000 426.598 42.6473 -6.81174 42.6474 84.6449 -110.635 -6.81275 -110.637 -204.81 GPRESSURE: 2176000 471.921 -22.4404 -6.26783 17.6384 91.3783 -105.234 89.123 -93.4269 -190.104 PRESSAVG: 2176000 42.8709 -30.9833 16.7068 -30.9833 -43.5324 -18.012 16.7068 -18.0121 -20.3182 GPRESSAVG: 2176000 42.8925 -33.0633 18.0146 -29.9251 -43.1025 -17.7289 16.414 -18.7189 -20.3363 TIMING: 2176000 CPU: 6951.52, 0.00314933/step Wall: 6951.52, 0.00314933/step, 2.47048 hours remaining, 234.132812 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: 2176000 3933.1369 20682.4395 14486.5247 233.4206 -203343.1497 2445.2652 0.0000 0.0000 52267.8330 -109294.5297 300.3840 -161562.3628 -108940.4287 300.1576 102.1442 124.3983 759428.5775 -6.9932 -6.8488 PRESSURE: 2176200 475.815 -130.714 150.076 -130.714 76.8666 -19.6076 150.076 -19.6065 211.395 GPRESSURE: 2176200 525.049 -15.9479 144.819 -139.102 39.7984 -100.21 184.492 44.6067 284.832 PRESSAVG: 2176200 28.4071 -35.9392 21.7224 -35.9391 -21.2003 -40.593 21.7223 -40.5929 -22.5419 GPRESSAVG: 2176200 28.7088 -33.6922 21.7295 -35.1233 -21.8996 -41.1389 21.4043 -40.3123 -22.1181 TIMING: 2176200 CPU: 6952.15, 0.00315958/step Wall: 6952.15, 0.00315958/step, 2.47834 hours remaining, 234.132812 MB of memory in use. ENERGY: 2176200 3962.6728 20613.2153 14463.2098 262.0104 -203277.4088 2545.4009 0.0000 0.0000 52146.2551 -109284.6445 299.6852 -161430.8996 -108916.7168 300.1679 254.6920 283.2267 761410.2560 -5.1117 -5.1030 LDB: ============= START OF LOAD BALANCING ============== 6964.57 LDB: ============== END OF LOAD BALANCING =============== 6964.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6964.57 LDB: ============= START OF LOAD BALANCING ============== 6964.89 LDB: Largest compute 7067 load 0.033341 is 17.1% of average load 0.195437 LDB: Average compute 0.004384 is 2.2% of average load 0.195437 LDB: TIME 6964.89 LOAD: AVG 0.195437 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.004 MB LDB: TIME 6964.89 LOAD: AVG 0.195437 MAX 0.213079 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.074 MB LDB: TIME 6964.89 LOAD: AVG 0.195437 MAX 0.213079 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.074 MB LDB: ============== END OF LOAD BALANCING =============== 6964.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6964.9 PRESSURE: 2176400 247.017 -104.231 -45.9853 -104.231 13.2735 -48.6665 -45.9846 -48.6671 -235.463 GPRESSURE: 2176400 320.449 1.56567 -29.0865 -80.6389 129.754 -89.7365 -70.9225 88.3589 -336.205 PRESSAVG: 2176400 55.6734 -29.2624 7.17361 -29.2625 -5.17374 44.1401 7.17364 44.1401 1.35906 GPRESSAVG: 2176400 56.6695 -31.2227 6.56667 -26.9112 -5.96159 41.981 9.03667 44.7478 1.54805 TIMING: 2176400 CPU: 6952.79, 0.00321663/step Wall: 6952.79, 0.00321663/step, 2.52291 hours remaining, 233.363281 MB of memory in use. ENERGY: 2176400 3943.0573 20622.3397 14426.1040 256.5381 -203297.6964 2508.6963 0.0000 0.0000 52174.0161 -109366.9450 299.8448 -161540.9611 -109004.3260 300.0563 8.2759 37.9997 759232.8017 17.2862 17.4186 PRESSURE: 2176600 140.75 148.529 -105.1 148.529 188.356 91.9216 -105.1 91.9202 0.681904 GPRESSURE: 2176600 167.876 45.0688 -62.5307 128.732 232.983 1.87288 -144.664 84.6993 22.4198 PRESSAVG: 2176600 53.7286 12.4644 -7.89565 12.4643 -60.1078 -23.0391 -7.89558 -23.0392 6.30535 GPRESSAVG: 2176600 52.0953 14.4914 -7.82317 9.55027 -58.7759 -21.9565 -10.0376 -23.6457 6.53522 TIMING: 2176600 CPU: 6953.43, 0.00317836/step Wall: 6953.43, 0.00317836/step, 2.49272 hours remaining, 233.363281 MB of memory in use. ENERGY: 2176600 4013.3697 20528.6770 14468.9478 263.4993 -203488.8244 2750.0034 0.0000 0.0000 52234.4231 -109229.9040 300.1919 -161464.3271 -108871.7609 299.9114 109.9295 141.0927 759728.0027 -0.0246 -0.0485 PRESSURE: 2176800 82.498 -11.0278 -200.808 -11.0286 -118.365 78.9964 -200.807 78.9959 288.246 GPRESSURE: 2176800 115.933 -36.8316 -95.5277 19.6204 -92.2127 64.4499 -145.522 251.268 305.788 PRESSAVG: 2176800 -23.2813 26.3718 -43.8809 26.3718 26.0428 48.8148 -43.8809 48.8148 4.73554 GPRESSAVG: 2176800 -23.7335 23.1646 -44.358 26.8805 25.8667 48.8303 -43.2007 47.8428 4.88728 TIMING: 2176800 CPU: 6954.06, 0.00315556/step Wall: 6954.06, 0.00315556/step, 2.47466 hours remaining, 233.363281 MB of memory in use. ENERGY: 2176800 3965.6934 20463.0620 14444.2234 254.6701 -203295.9202 2559.0646 0.0000 0.0000 52143.1703 -109466.0364 299.6675 -161609.2067 -109098.8879 299.9855 84.1261 109.8361 760934.9693 2.4990 2.3402 PRESSURE: 2177000 -248.517 103.776 -179.056 103.776 71.3163 90.7685 -179.055 90.7685 -414.523 GPRESSURE: 2177000 -298.319 136.213 -199.393 119.226 93.595 79.7614 -78.8843 -29.0503 -307.036 PRESSAVG: 2177000 -14.5624 10.8151 28.6455 10.8151 -5.47516 39.4331 28.6455 39.4331 7.87163 GPRESSAVG: 2177000 -13.1022 13.3062 28.6189 11.7594 -6.04083 39.2184 30.8679 40.2936 7.14515 TIMING: 2177000 CPU: 6954.69, 0.00315789/step Wall: 6954.69, 0.00315789/step, 2.47631 hours remaining, 233.363281 MB of memory in use. ENERGY: 2177000 4004.1498 20644.1512 14424.3929 250.8113 -203394.5589 2403.6091 0.0000 0.0000 52189.2070 -109478.2376 299.9321 -161667.4446 -109114.5982 299.4474 -197.2413 -170.5868 760742.2415 -4.0553 -3.9993 PRESSURE: 2177200 187.171 -54.7958 67.4344 -54.7969 -234.26 67.5196 67.4341 67.5174 -397.92 GPRESSURE: 2177200 226.766 -61.8615 60.8495 -203.176 -264.255 107.627 98.8869 163.917 -292.589 PRESSAVG: 2177200 9.85611 -35.9867 42.8738 -35.9867 0.34998 26.3268 42.8738 26.3268 27.6593 GPRESSAVG: 2177200 8.90554 -35.9093 42.2196 -36.825 1.38492 26.0397 40.8305 26.7556 27.7622 TIMING: 2177200 CPU: 6955.32, 0.00315262/step Wall: 6955.32, 0.00315261/step, 2.472 hours remaining, 233.363281 MB of memory in use. ENERGY: 2177200 4042.6369 20472.8162 14481.2604 229.0002 -203154.1280 2390.6074 0.0000 0.0000 52009.5403 -109528.2666 298.8995 -161537.8069 -109159.1081 299.5747 -148.3363 -110.0258 760953.0699 12.6218 12.6842 PRESSURE: 2177400 8.43653 -60.2251 169.621 -60.2248 -255.266 -43.1686 169.621 -43.1676 -169.499 GPRESSURE: 2177400 -31.4321 39.1941 227.936 -11.8376 -150.886 -26.5789 247.285 -96.9305 -140.522 PRESSAVG: 2177400 19.9217 -22.6874 61.1877 -22.6873 -24.6635 11.6902 61.1877 11.6901 2.50695 GPRESSAVG: 2177400 18.8995 -22.8415 60.8293 -20.716 -22.5072 10.9486 61.4931 11.648 1.78375 TIMING: 2177400 CPU: 6955.95, 0.00314308/step Wall: 6955.95, 0.00314308/step, 2.46435 hours remaining, 233.363281 MB of memory in use. ENERGY: 2177400 3979.3828 20509.6921 14476.9541 243.9501 -203762.0951 2825.4116 0.0000 0.0000 52014.8013 -109711.9030 298.9298 -161726.7043 -109343.4415 299.0390 -138.7762 -107.6132 762341.0623 -0.7450 -0.6080 PRESSURE: 2177600 -112.95 44.9178 -105.325 44.9183 15.0607 -32.3319 -105.325 -32.3319 -272.731 GPRESSURE: 2177600 -117.576 -10.9831 -78.323 30.8457 50.5795 -59.7794 -243.093 7.61424 -223.915 PRESSAVG: 2177600 24.8734 -43.4889 20.5293 -43.489 -24.4493 24.464 20.5293 24.4641 7.30105 GPRESSAVG: 2177600 26.4572 -44.4195 19.8671 -43.9127 -25.993 26.1211 18.9751 23.6124 7.88537 TIMING: 2177600 CPU: 6956.59, 0.00317388/step Wall: 6956.59, 0.00317388/step, 2.48832 hours remaining, 233.363281 MB of memory in use. ENERGY: 2177600 3957.2168 20641.8224 14478.3529 258.6885 -203342.2216 2463.3425 0.0000 0.0000 51876.2659 -109666.5326 298.1336 -161542.7985 -109309.5832 299.2563 -123.5399 -96.9705 760408.9282 2.5750 2.7832 PRESSURE: 2177800 -348.82 40.5406 80.684 40.5403 -187.45 5.27905 80.6829 5.27919 -136.438 GPRESSURE: 2177800 -290.353 63.9557 29.8257 39.6619 -249.065 -13.8045 29.3192 49.3545 -45.8168 PRESSAVG: 2177800 26.346 3.95169 87.5404 3.95161 -22.2375 -3.12762 87.5404 -3.12761 2.95552 GPRESSAVG: 2177800 26.3166 4.70639 86.7305 3.49522 -21.9479 -4.2651 88.3129 -3.90401 2.76961 TIMING: 2177800 CPU: 6957.22, 0.00317313/step Wall: 6957.22, 0.00317313/step, 2.48756 hours remaining, 233.363281 MB of memory in use. ENERGY: 2177800 3980.9117 20589.4798 14472.8843 261.8269 -203487.6453 2311.8363 0.0000 0.0000 52216.6211 -109654.0852 300.0896 -161870.7063 -109295.5484 299.2915 -224.2361 -195.0784 760024.2819 2.3546 2.3794 PRESSURE: 2178000 -80.5304 -168.87 266.933 -168.87 -110.706 132.473 266.934 132.472 74.9601 GPRESSURE: 2178000 22.136 -172.946 218.721 -152.788 -131.742 169.145 172.608 71.9622 55.1039 PRESSAVG: 2178000 12.8546 -30.4642 45.0841 -30.4642 -63.5072 -10.0079 45.0842 -10.0079 -20.8605 GPRESSAVG: 2178000 13.1648 -31.0156 46.3694 -31.6183 -64.7449 -9.78803 44.52 -8.59422 -20.0927 TIMING: 2178000 CPU: 6957.85, 0.00314073/step Wall: 6957.85, 0.00314073/step, 2.46198 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2178000 3997.0561 20495.5818 14498.7915 254.2691 -203914.2916 2871.5358 0.0000 0.0000 52086.9080 -109710.1492 299.3442 -161797.0573 -109338.0424 299.2182 -38.7588 -18.1674 761839.2895 -23.8377 -23.8909 PRESSURE: 2178200 295.476 12.2939 -82.4535 12.2939 220.654 24.8049 -82.4528 24.8051 -242.507 GPRESSURE: 2178200 283.851 41.5024 12.1817 -71.0685 211.956 106.872 -13.2011 -102.525 -137.942 PRESSAVG: 2178200 13.87 -41.8642 -10.1476 -41.8641 -6.98278 -41.8384 -10.1476 -41.8384 9.62789 GPRESSAVG: 2178200 14.9296 -39.6028 -11.3018 -42.5672 -7.31659 -40.6805 -8.21545 -43.0482 8.91215 TIMING: 2178200 CPU: 6958.47, 0.00312488/step Wall: 6958.47, 0.00312488/step, 2.44939 hours remaining, 233.562500 MB of memory in use. ENERGY: 2178200 4070.0235 20693.3055 14410.0883 257.2347 -204013.2000 2797.7371 0.0000 0.0000 52098.9428 -109685.8681 299.4133 -161784.8109 -109324.2590 299.3866 91.2075 119.2886 759874.8142 5.5050 5.5084 PRESSURE: 2178400 -96.1185 58.2546 -130.63 58.2553 -194.942 -118.478 -130.63 -118.478 81.272 GPRESSURE: 2178400 -90.8844 89.8456 -183.115 33.4908 -90.7497 -152.064 -112.935 -22.8407 62.3286 PRESSAVG: 2178400 16.455 -19.2315 49.6628 -19.2315 13.2203 22.8828 49.6628 22.8827 14.9648 GPRESSAVG: 2178400 16.6797 -21.4774 50.4873 -15.2159 13.8262 21.1554 48.5702 23.1878 14.9608 TIMING: 2178400 CPU: 6959.1, 0.00311758/step Wall: 6959.1, 0.00311758/step, 2.44349 hours remaining, 233.562500 MB of memory in use. ENERGY: 2178400 3957.3507 20643.7988 14457.2879 238.3805 -203879.3586 2930.4201 0.0000 0.0000 52096.6609 -109555.4597 299.4002 -161652.1206 -109185.4433 299.5142 -69.9296 -39.7685 760779.4834 14.8801 15.1556 PRESSURE: 2178600 -789.175 -179.863 102.469 -179.862 -128.844 -73.6868 102.469 -73.6879 -231.957 GPRESSURE: 2178600 -655.094 -207.59 66.1321 -150.169 -174.85 -38.732 80.0944 -109.664 -223.182 PRESSAVG: 2178600 26.6901 -28.0431 -0.653361 -28.0431 -2.50156 -37.737 -0.65338 -37.737 -21.4183 GPRESSAVG: 2178600 26.7704 -27.4327 -1.97719 -30.701 -3.0799 -36.7478 -1.24249 -37.1065 -21.1178 TIMING: 2178600 CPU: 6959.72, 0.00311676/step Wall: 6959.72, 0.00311676/step, 2.44268 hours remaining, 233.562500 MB of memory in use. ENERGY: 2178600 4010.0304 20723.6962 14529.8246 252.7669 -203498.5082 2377.2391 0.0000 0.0000 52098.3563 -109506.5946 299.4100 -161604.9510 -109148.2156 299.7280 -383.3252 -351.0419 760724.5311 0.9234 0.8576 PRESSURE: 2178800 -46.0875 -8.62991 -9.07938 -8.63073 -244.77 -2.40826 -9.0791 -2.40888 19.1916 GPRESSURE: 2178800 -52.3568 -48.261 -23.5113 -9.67794 -189.386 -52.4859 6.88612 -91.7894 51.4912 PRESSAVG: 2178800 10.198 -24.726 42.2943 -24.726 -34.0928 -6.13078 42.2943 -6.13079 10.3289 GPRESSAVG: 2178800 8.82968 -24.141 42.6164 -26.946 -34.6332 -6.29351 43.6753 -6.36537 12.0582 TIMING: 2178800 CPU: 6960.35, 0.0031336/step Wall: 6960.35, 0.0031336/step, 2.4557 hours remaining, 233.562500 MB of memory in use. ENERGY: 2178800 3958.3776 20426.2005 14521.2273 262.9012 -203537.3673 2439.7246 0.0000 0.0000 52338.3137 -109590.6224 300.7890 -161928.9362 -109227.0112 299.6293 -90.5554 -63.4173 761387.8977 -4.5220 -4.5818 PRESSURE: 2179000 -157.505 295.042 39.3706 295.041 -280.799 38.5193 39.3709 38.5192 -134.932 GPRESSURE: 2179000 -119.341 360.632 -65.9936 203.05 -250.765 112.802 121.29 -11.2795 -108.914 PRESSAVG: 2179000 10.9507 35.7138 52.8769 35.7138 -19.026 10.8566 52.877 10.8566 7.60296 GPRESSAVG: 2179000 13.0871 35.7039 53.4516 36.4104 -18.0847 8.88104 50.4537 12.1839 5.64138 TIMING: 2179000 CPU: 6960.98, 0.00314584/step Wall: 6960.98, 0.00314584/step, 2.46512 hours remaining, 233.562500 MB of memory in use. ENERGY: 2179000 3940.4319 20469.0154 14474.6242 251.2614 -202969.2873 2282.0453 0.0000 0.0000 51863.1579 -109688.7511 298.0583 -161551.9090 -109321.9216 299.2185 -191.0789 -159.6735 762090.3373 -0.1575 0.2146 PRESSURE: 2179200 -16.2636 -61.8278 226.105 -61.8275 198.816 -211.553 226.106 -211.554 -167.981 GPRESSURE: 2179200 111.545 -98.8724 173.847 52.7426 211.941 -170.167 168.853 -304.108 -225.733 PRESSAVG: 2179200 31.4189 87.0114 -6.73891 87.0114 7.54628 2.02092 -6.73893 2.02079 -29.8652 GPRESSAVG: 2179200 30.4216 85.8776 -5.99568 90.1948 7.50715 4.17968 -6.09868 0.967628 -28.7137 TIMING: 2179200 CPU: 6961.61, 0.00315914/step Wall: 6961.61, 0.00315914/step, 2.47536 hours remaining, 233.562500 MB of memory in use. ENERGY: 2179200 4000.9570 20537.9397 14543.5388 235.6910 -203613.1588 2793.6399 0.0000 0.0000 52004.1122 -109497.2802 298.8683 -161501.3924 -109138.7345 299.4590 4.8574 32.5846 761031.1557 3.0333 3.0717 PRESSURE: 2179400 94.951 -166.539 -346.948 -166.538 -60.6632 249.909 -346.948 249.91 67.1243 GPRESSURE: 2179400 114.223 -230.904 -318.263 -208.227 -54.3607 236.302 -76.7785 76.5124 121.732 PRESSAVG: 2179400 12.9362 31.6734 26.4771 31.6734 -44.5822 -3.68652 26.4772 -3.68656 -11.1078 GPRESSAVG: 2179400 13.9394 32.0015 26.9802 29.295 -44.8438 -3.84394 27.817 -5.33226 -11.6698 TIMING: 2179400 CPU: 6962.24, 0.00313864/step Wall: 6962.24, 0.00313864/step, 2.45912 hours remaining, 233.562500 MB of memory in use. ENERGY: 2179400 3950.7483 20589.8029 14499.4546 265.9244 -203455.6087 2565.7256 0.0000 0.0000 52045.6102 -109538.3427 299.1068 -161583.9529 -109175.9434 299.4225 33.8040 60.5314 761981.0126 -14.2513 -14.1914 PRESSURE: 2179600 -6.82378 230.88 -0.494861 230.881 -5.12604 -129.533 -0.495486 -129.533 121.58 GPRESSURE: 2179600 52.8098 253.871 -39.4049 178.083 -8.83259 -129.307 -62.4114 -43.8031 146.072 PRESSAVG: 2179600 15.3377 6.26501 16.6862 6.2651 -24.996 27.2271 16.6863 27.2271 -15.5616 GPRESSAVG: 2179600 14.7151 5.01814 15.3594 8.05194 -24.9345 26.0577 15.8651 29.0328 -14.8241 TIMING: 2179600 CPU: 6962.86, 0.00312425/step Wall: 6962.86, 0.00312425/step, 2.44768 hours remaining, 233.562500 MB of memory in use. ENERGY: 2179600 3942.5532 20558.4875 14502.8707 244.7776 -203507.2436 2678.0419 0.0000 0.0000 52099.0959 -109481.4167 299.4142 -161580.5127 -109117.5368 299.5311 36.5432 63.3497 763664.2479 -8.4066 -8.3479 PRESSURE: 2179800 -152.206 187.222 116.88 187.222 52.5619 -202.133 116.881 -202.133 136.92 GPRESSURE: 2179800 -46.319 105.252 112.622 225.381 79.2051 -209.035 149.859 -135.781 94.3801 PRESSAVG: 2179800 60.1962 10.1475 20.191 10.1475 -41.4384 -1.3969 20.191 -1.3969 11.176 GPRESSAVG: 2179800 60.1172 9.88984 19.1979 10.7478 -41.6367 -0.925557 20.0862 -2.8751 11.7721 TIMING: 2179800 CPU: 6963.49, 0.00315358/step Wall: 6963.49, 0.00315358/step, 2.47048 hours remaining, 233.562500 MB of memory in use. ENERGY: 2179800 4002.5620 20434.3353 14477.1875 258.4748 -203020.3014 2570.4800 0.0000 0.0000 52000.6480 -109276.6136 298.8484 -161277.2616 -108915.8840 299.5506 12.4252 42.4221 762979.2380 9.9779 10.0842 PRESSURE: 2180000 195.501 244.979 60.513 244.978 345.686 97.7692 60.5135 97.7693 216.794 GPRESSURE: 2180000 146.007 349.187 -38.9802 120.559 354.752 36.075 30.7604 156.203 344.04 PRESSAVG: 2180000 29.8639 -42.7115 45.6426 -42.7115 -24.8562 19.4932 45.6426 19.4931 -0.589275 GPRESSAVG: 2180000 30.1014 -41.9533 46.2291 -43.967 -23.7401 17.3072 47.2422 22.3064 -2.63068 TIMING: 2180000 CPU: 6964.12, 0.00315018/step Wall: 6964.12, 0.00315018/step, 2.46764 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2180000 4045.7641 20492.9979 14457.7226 249.0753 -203551.7540 2778.5155 0.0000 0.0000 52301.2069 -109226.4717 300.5758 -161527.6787 -108870.1806 300.0474 252.6600 281.5996 760354.6485 1.4728 1.2435 PRESSURE: 2180200 271.355 106.565 -30.8296 106.565 0.811384 -28.8133 -30.8298 -28.8133 -12.8872 GPRESSURE: 2180200 315.996 135.372 -0.80688 -4.28577 -19.7605 90.6205 -27.1689 -147.797 35.9653 PRESSAVG: 2180200 1.18366 -29.8208 47.4043 -29.8208 3.58679 31.1425 47.4044 31.1426 -5.28035 GPRESSAVG: 2180200 -0.458838 -31.7288 46.6465 -28.2073 3.48627 32.9882 47.067 30.9674 -3.49127 TIMING: 2180200 CPU: 6964.75, 0.00316433/step Wall: 6964.75, 0.00316433/step, 2.47855 hours remaining, 233.562500 MB of memory in use. ENERGY: 2180200 3913.6838 20637.2994 14473.2893 252.9994 -203223.6071 2526.6757 0.0000 0.0000 52092.4085 -109327.2510 299.3758 -161419.6595 -108964.2442 299.8821 86.4263 110.7335 761787.2170 -0.1700 -0.1546 LDB: ============= START OF LOAD BALANCING ============== 6977.18 LDB: ============== END OF LOAD BALANCING =============== 6977.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6977.18 LDB: ============= START OF LOAD BALANCING ============== 6977.49 LDB: Largest compute 7067 load 0.033155 is 17.0% of average load 0.195484 LDB: Average compute 0.004381 is 2.2% of average load 0.195484 LDB: TIME 6977.5 LOAD: AVG 0.195484 MAX 0.213326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 6977.5 LOAD: AVG 0.195484 MAX 0.213326 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.074 MB LDB: TIME 6977.5 LOAD: AVG 0.195484 MAX 0.213326 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.074 MB LDB: ============== END OF LOAD BALANCING =============== 6977.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6977.5 PRESSURE: 2180400 -439.733 104.602 44.0888 104.602 -109.484 24.1951 44.0882 24.1948 441.645 GPRESSURE: 2180400 -369.816 52.4062 35.0489 -7.03098 -51.834 56.3015 250.214 -132.295 392.342 PRESSAVG: 2180400 -10.4183 -0.432831 18.4234 -0.432861 -2.3278 -12.8478 18.4234 -12.8477 8.33464 GPRESSAVG: 2180400 -10.0846 1.85782 19.8622 -0.534194 -1.99333 -13.7057 17.1931 -16.5159 7.99891 TIMING: 2180400 CPU: 6965.4, 0.003222/step Wall: 6965.4, 0.003222/step, 2.52354 hours remaining, 233.816406 MB of memory in use. ENERGY: 2180400 4065.4765 20425.0541 14337.9945 248.7605 -203389.0574 2463.5732 0.0000 0.0000 52442.7277 -109405.4707 301.3891 -161848.1984 -109041.6774 299.3732 -35.8575 -9.7694 762592.1609 -1.4705 -1.3597 PRESSURE: 2180600 39.4356 18.7675 260.827 18.7667 239.1 -155.376 260.827 -155.376 134.156 GPRESSURE: 2180600 74.9723 -34.4663 211.222 7.15488 219.356 -170.107 244.595 -187.165 212.397 PRESSAVG: 2180600 -30.0679 -31.9745 23.2228 -31.9746 21.0998 51.9018 23.2228 51.9018 -3.69145 GPRESSAVG: 2180600 -29.4535 -31.455 22.1547 -33.7616 21.6211 53.2622 23.4373 53.2655 -4.55165 TIMING: 2180600 CPU: 6966.03, 0.00314918/step Wall: 6966.03, 0.00314918/step, 2.46633 hours remaining, 233.816406 MB of memory in use. ENERGY: 2180600 4055.8172 20283.0762 14402.6719 249.5638 -203417.2785 2939.2125 0.0000 0.0000 52199.2660 -109287.6709 299.9899 -161486.9369 -108923.8997 299.9898 137.5638 168.9083 761909.4081 -4.2199 -4.1280 PRESSURE: 2180800 -359.471 27.4121 82.6918 27.4115 -135.016 -220.401 82.6919 -220.4 -153.213 GPRESSURE: 2180800 -326.011 158.254 77.5353 59.9216 -110.035 -271.451 72.8183 -220.502 -130.468 PRESSAVG: 2180800 8.54403 -11.7056 61.2995 -11.7057 -42.1647 -12.4764 61.2995 -12.4763 4.33354 GPRESSAVG: 2180800 7.96483 -14.4604 61.0459 -9.27333 -42.33 -14.4102 62.4186 -10.9558 4.93178 TIMING: 2180800 CPU: 6966.66, 0.00314259/step Wall: 6966.66, 0.00314259/step, 2.461 hours remaining, 233.816406 MB of memory in use. ENERGY: 2180800 4013.0301 20417.4190 14411.4949 258.9749 -203409.6101 2557.9992 0.0000 0.0000 52255.9148 -109494.7772 300.3155 -161750.6920 -109134.3187 299.4751 -215.8999 -188.8378 761787.5646 -9.7624 -9.8111 PRESSURE: 2181000 89.0631 221.092 -11.1869 221.092 7.6705 -14.6906 -11.1867 -14.6903 187.778 GPRESSURE: 2181000 100.264 284.533 44.0587 163.664 55.3222 22.3841 143.728 43.1902 217.019 PRESSAVG: 2181000 -27.742 55.5166 28.4186 55.5166 35.2622 -13.1776 28.4186 -13.1776 37.5457 GPRESSAVG: 2181000 -28.116 59.1448 29.3533 52.3068 34.9024 -9.96168 27.408 -12.701 38.1069 TIMING: 2181000 CPU: 6967.29, 0.00315838/step Wall: 6967.29, 0.00315838/step, 2.47318 hours remaining, 233.816406 MB of memory in use. ENERGY: 2181000 4017.2174 20507.1868 14429.6395 252.4733 -203589.1219 2913.9161 0.0000 0.0000 52028.2266 -109440.4622 299.0069 -161468.6889 -109079.2505 298.8288 94.8371 124.2019 761142.5650 15.0220 14.9644 PRESSURE: 2181200 84.1522 72.4804 -145.433 72.48 -85.1271 73.2323 -145.433 73.2335 11.2537 GPRESSURE: 2181200 136.438 180.298 -127.522 27.4019 11.2713 -12.5307 -122.383 57.6318 -56.2472 PRESSAVG: 2181200 -12.6991 35.5614 21.0159 35.5614 28.3883 -7.33565 21.0159 -7.33567 0.993304 GPRESSAVG: 2181200 -12.4842 33.5222 19.5853 33.6273 29.7495 -11.9485 21.273 -6.58364 -0.827297 TIMING: 2181200 CPU: 6967.92, 0.00314896/step Wall: 6967.92, 0.00314896/step, 2.46564 hours remaining, 233.816406 MB of memory in use. ENERGY: 2181200 3953.8292 20329.3167 14509.3192 238.6017 -203126.3765 2488.0578 0.0000 0.0000 52029.5423 -109577.7097 299.0145 -161607.2520 -109212.0840 299.2394 3.4263 30.4873 760824.7548 5.5608 5.4793 PRESSURE: 2181400 -150.486 -81.0537 63.5742 -81.0535 -394.253 -161.938 63.5741 -161.938 -240.698 GPRESSURE: 2181400 -130.692 -7.7454 59.7744 -134.076 -320.618 -102.236 70.5037 -199.602 -282.425 PRESSAVG: 2181400 -33.5447 -37.6595 17.9433 -37.6594 27.6414 45.401 17.9433 45.4011 -21.8023 GPRESSAVG: 2181400 -33.4272 -35.3908 18.9516 -34.8723 26.2832 49.3531 17.5782 41.8508 -20.6287 TIMING: 2181400 CPU: 6968.55, 0.00315482/step Wall: 6968.55, 0.00315482/step, 2.47004 hours remaining, 233.816406 MB of memory in use. ENERGY: 2181400 3997.3093 20455.0405 14537.1759 251.2745 -203021.4194 2153.9481 0.0000 0.0000 52155.1875 -109471.4836 299.7366 -161626.6711 -109107.1777 298.7929 -261.8125 -244.5785 761494.2022 -9.2352 -9.2576 PRESSURE: 2181600 -14.3204 -9.81134 254.282 -9.81053 -23.8895 59.1136 254.282 59.1141 -360.229 GPRESSURE: 2181600 12.5639 30.202 269.152 -39.1254 6.7811 49.6321 229.857 110.076 -336.977 PRESSAVG: 2181600 -11.4033 34.016 14.1679 34.016 23.1481 15.6606 14.1679 15.6607 6.14635 GPRESSAVG: 2181600 -11.4832 32.5529 14.6056 33.4769 24.4686 13.4885 15.1086 17.3956 5.08377 TIMING: 2181600 CPU: 6969.18, 0.00316805/step Wall: 6969.18, 0.00316805/step, 2.48023 hours remaining, 233.816406 MB of memory in use. ENERGY: 2181600 3991.0570 20407.8984 14514.4161 227.6786 -203483.5697 2733.4308 0.0000 0.0000 52053.4936 -109555.5952 299.1521 -161609.0888 -109199.1532 299.2398 -132.8131 -105.8773 761333.5914 5.9637 6.0231 PRESSURE: 2181800 -188.187 -139.057 -104.482 -139.057 108.56 55.7889 -104.482 55.7898 -201.996 GPRESSURE: 2181800 -88.0956 -35.1297 -69.9825 -157.684 65.0612 173.628 -220.278 37.3854 -181.68 PRESSAVG: 2181800 28.5405 -10.2272 6.88783 -10.2273 13.7446 30.6096 6.88785 30.6096 -6.88518 GPRESSAVG: 2181800 29.0598 -9.7776 6.7888 -10.3179 12.1117 30.8064 6.50101 30.1711 -5.76588 TIMING: 2181800 CPU: 6969.81, 0.00314779/step Wall: 6969.81, 0.00314779/step, 2.4642 hours remaining, 233.816406 MB of memory in use. ENERGY: 2181800 3925.1639 20255.9415 14586.9851 235.3592 -203300.7579 2527.2975 0.0000 0.0000 52233.6719 -109536.3388 300.1876 -161770.0107 -109176.5387 298.9144 -93.8740 -68.2382 762630.1536 11.8000 11.8019 PRESSURE: 2182000 -9.33535 -85.0305 -263.508 -85.0298 -296.795 67.2461 -263.509 67.2459 -117.374 GPRESSURE: 2182000 28.3111 -147.37 -261.82 -9.97255 -221.036 37.0799 -252.725 187.381 -143.808 PRESSAVG: 2182000 11.3824 -8.32635 1.20515 -8.32634 -24.4773 -8.38841 1.20502 -8.38848 -21.2486 GPRESSAVG: 2182000 10.9346 -8.75321 0.940265 -8.26252 -23.3441 -7.0642 0.00319346 -9.91678 -22.2952 TIMING: 2182000 CPU: 6970.45, 0.00316525/step Wall: 6970.45, 0.00316525/step, 2.47769 hours remaining, 233.816406 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: 2182000 4037.1496 20313.3795 14502.6216 243.5872 -203303.1758 2497.2888 0.0000 0.0000 52007.2382 -109701.9109 298.8863 -161709.1491 -109341.6529 298.8329 -141.1680 -112.1775 760608.7176 -11.4478 -11.5682 PRESSURE: 2182200 -152.467 -113.977 -99.5953 -113.977 -125.348 -21.078 -99.5948 -21.0784 -191.343 GPRESSURE: 2182200 -128.853 3.00593 -70.1283 -204.281 -169.531 -52.7352 -103.856 -33.4923 -86.4965 PRESSAVG: 2182200 15.6193 -6.28621 22.3636 -6.28627 -18.205 67.5932 22.3635 67.5931 1.07577 GPRESSAVG: 2182200 15.4722 -5.70552 23.4547 -6.75934 -18.8825 66.8981 21.9073 70.3573 1.70974 TIMING: 2182200 CPU: 6971.07, 0.00313783/step Wall: 6971.07, 0.00313783/step, 2.45605 hours remaining, 233.816406 MB of memory in use. ENERGY: 2182200 3905.6798 20455.2559 14528.2946 250.1824 -203180.7460 2356.7652 0.0000 0.0000 51887.8211 -109796.7471 298.2000 -161684.5682 -109431.4464 298.6074 -156.3861 -128.2936 762825.2211 -0.5033 -0.5668 PRESSURE: 2182400 111.336 89.9235 89.3394 89.9229 -239.087 126.715 89.3395 126.714 92.6689 GPRESSURE: 2182400 61.8147 84.388 40.0855 77.4593 -41.6794 106.989 105.354 128.314 38.2752 PRESSAVG: 2182400 -39.8769 -11.8179 10.2584 -11.8179 19.7175 61.6539 10.2584 61.6538 -6.09806 GPRESSAVG: 2182400 -38.7473 -11.6701 9.07443 -11.7442 19.3444 60.2131 13.273 61.8697 -6.69378 TIMING: 2182400 CPU: 6971.7, 0.00315099/step Wall: 6971.7, 0.00315099/step, 2.46617 hours remaining, 233.816406 MB of memory in use. ENERGY: 2182400 3950.3841 20564.9730 14467.8476 239.5596 -203552.8168 2708.9141 0.0000 0.0000 51954.1973 -109666.9412 298.5815 -161621.1385 -109310.9658 298.9852 -11.6941 19.4701 760849.7250 -8.7525 -8.6989 PRESSURE: 2182600 -172.496 -83.7067 109.52 -83.7072 -350.517 -124.84 109.52 -124.839 -179.632 GPRESSURE: 2182600 -279.161 -25.4369 58.5457 -206.138 -201.578 -175.297 24.5502 -131.312 -124.011 PRESSAVG: 2182600 -75.7897 -53.6431 42.4687 -53.6431 92.039 29.039 42.4688 29.039 17.6535 GPRESSAVG: 2182600 -76.4751 -53.0212 42.0856 -52.2761 92.4561 29.8939 40.1379 27.5349 17.6265 TIMING: 2182600 CPU: 6972.34, 0.00316056/step Wall: 6972.34, 0.00316056/step, 2.47349 hours remaining, 233.816406 MB of memory in use. ENERGY: 2182600 4067.2918 20327.0893 14428.3125 243.8959 -203287.8635 2505.5960 0.0000 0.0000 51988.0150 -109727.6630 298.7758 -161715.6780 -109353.6654 299.2981 -234.2151 -201.5832 760191.5351 11.3010 11.2025 PRESSURE: 2182800 90.9926 88.6404 -172.935 88.6406 -43.0738 -141.125 -172.936 -141.125 26.0499 GPRESSURE: 2182800 146.017 -17.0222 -124.06 101.993 -25.6885 -104.434 -181.486 44.4241 26.7034 PRESSAVG: 2182800 -9.51328 -61.7916 35.0377 -61.7915 -22.7948 71.6908 35.0376 71.6908 -6.67686 GPRESSAVG: 2182800 -10.0989 -63.0764 36.1906 -62.211 -22.6154 71.6187 35.3714 74.564 -6.53854 TIMING: 2182800 CPU: 6972.97, 0.00317829/step Wall: 6972.97, 0.00317829/step, 2.48719 hours remaining, 233.816406 MB of memory in use. ENERGY: 2182800 4029.7548 20375.8268 14424.5179 234.6559 -203581.4873 2669.9905 0.0000 0.0000 52012.4919 -109834.2496 298.9165 -161846.7415 -109476.7214 298.5633 24.6562 49.0105 759627.5190 -12.9950 -13.0843 PRESSURE: 2183000 -54.6196 57.1686 -302.227 57.1687 -45.8494 -3.98889 -302.227 -3.98889 -35.4468 GPRESSURE: 2183000 -15.4284 183.396 -403.825 -26.307 -65.1227 57.0775 -295.344 -79.6624 38.0958 PRESSAVG: 2183000 -10.6972 32.7747 -14.3097 32.7747 11.6102 15.1371 -14.3098 15.1372 10.1657 GPRESSAVG: 2183000 -8.62796 31.9839 -15.285 31.8738 11.2138 17.1934 -11.6553 12.7488 9.14342 TIMING: 2183000 CPU: 6973.6, 0.00315935/step Wall: 6973.6, 0.00315935/step, 2.47219 hours remaining, 233.816406 MB of memory in use. ENERGY: 2183000 3975.0097 20430.1531 14417.8138 241.8211 -203377.6615 2331.9549 0.0000 0.0000 51873.2479 -110107.6612 298.1163 -161980.9091 -109747.1888 298.2532 -45.3053 -14.1518 760045.0337 3.6929 3.9098 PRESSURE: 2183200 23.1049 67.364 21.7078 67.3631 -265.934 2.51059 21.7085 2.51028 -169.452 GPRESSURE: 2183200 32.7515 8.87594 -1.67607 120.06 -277.247 -3.09627 17.1253 -36.8639 -85.7826 PRESSAVG: 2183200 40.6427 -11.2564 0.77107 -11.2564 30.0314 22.1659 0.771005 22.1659 2.22453 GPRESSAVG: 2183200 39.314 -9.49765 0.53801 -11.0892 29.7578 20.5661 -2.77617 23.4492 3.59849 TIMING: 2183200 CPU: 6974.23, 0.00313389/step Wall: 6974.23, 0.00313389/step, 2.45209 hours remaining, 233.816406 MB of memory in use. ENERGY: 2183200 3950.2075 20348.7281 14446.6694 250.2614 -203562.2022 2457.9038 0.0000 0.0000 52010.0778 -110098.3544 298.9026 -162108.4321 -109745.1140 298.2267 -137.4268 -110.0926 760283.0226 24.2995 24.2235 PRESSURE: 2183400 -152.848 -108.772 -95.2482 -108.772 255.106 118.581 -95.248 118.58 -241.159 GPRESSURE: 2183400 -60.7609 -165.725 -48.0508 -75.4689 159.203 139.856 -124.301 50.0822 -163.021 PRESSAVG: 2183400 -21.2939 17.8867 0.225326 17.8868 18.0536 7.81358 0.225277 7.81359 -10.0455 GPRESSAVG: 2183400 -20.7678 15.8197 1.69077 18.4247 16.1985 7.4217 1.10943 6.48352 -9.49551 TIMING: 2183400 CPU: 6974.86, 0.00313801/step Wall: 6974.86, 0.00313801/step, 2.45514 hours remaining, 233.816406 MB of memory in use. ENERGY: 2183400 3948.4490 20414.1085 14465.9663 242.6050 -203547.7124 2617.0194 0.0000 0.0000 51845.2338 -110014.3304 297.9553 -161859.5642 -109652.7405 298.0311 -46.3000 -21.5262 759564.7922 -4.4286 -4.6883 PRESSURE: 2183600 -15.8688 -41.2972 -6.34364 -41.2971 15.5055 60.4212 -6.34324 60.421 108.368 GPRESSURE: 2183600 63.1031 -59.4989 -4.4693 0.754189 87.853 35.6787 48.7512 123.172 44.3603 PRESSAVG: 2183600 -13.9588 34.4569 36.8149 34.4569 7.77465 -21.9785 36.8148 -21.9786 0.468057 GPRESSAVG: 2183600 -14.4838 34.4845 35.5659 36.0017 10.8499 -20.9503 36.5097 -21.4128 -1.8644 TIMING: 2183600 CPU: 6975.48, 0.00312881/step Wall: 6975.48, 0.00312881/step, 2.44777 hours remaining, 233.816406 MB of memory in use. ENERGY: 2183600 3950.2857 20512.0592 14497.0460 287.8809 -203538.8681 2446.2736 0.0000 0.0000 52003.3694 -109841.9534 298.8641 -161845.3228 -109480.3024 297.9452 36.0015 65.1055 759899.4837 -1.9054 -1.8328 PRESSURE: 2183800 -93.2667 -75.9831 37.1158 -75.9836 -5.78146 74.7012 37.1168 74.7005 -112.866 GPRESSURE: 2183800 35.625 19.0493 8.28339 -63.4689 -106.996 154.216 2.09662 75.1255 -65.289 PRESSAVG: 2183800 -24.3788 29.4997 17.5271 29.4998 9.23161 44.23 17.5271 44.23 -1.54731 GPRESSAVG: 2183800 -23.8078 29.1263 17.7568 29.4217 7.91054 42.7456 17.6274 46.2328 -1.12622 TIMING: 2183800 CPU: 6976.11, 0.00313611/step Wall: 6976.11, 0.00313611/step, 2.45331 hours remaining, 233.816406 MB of memory in use. ENERGY: 2183800 3966.2880 20590.9814 14466.5211 238.1999 -203227.1724 2399.8262 0.0000 0.0000 51962.8365 -109602.5193 298.6311 -161565.3558 -109238.6502 299.1801 -70.6381 -45.5535 761225.7217 -5.5648 -5.6745 PRESSURE: 2184000 101.782 -47.5451 67.3803 -47.5447 -341.931 151.279 67.3809 151.28 -34.887 GPRESSURE: 2184000 81.991 -88.9563 49.3487 -83.9718 -273.73 149.627 129.686 86.6755 13.2207 PRESSAVG: 2184000 31.449 5.15281 7.95034 5.1528 -26.9351 9.04331 7.95033 9.04333 -7.47167 GPRESSAVG: 2184000 31.1275 5.96807 7.80778 3.69539 -26.9404 10.7563 7.39714 5.72118 -6.28464 TIMING: 2184000 CPU: 6976.74, 0.0031405/step Wall: 6976.74, 0.0031405/step, 2.45657 hours remaining, 233.816406 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: 2184000 4016.8407 20489.6092 14360.3301 231.1243 -203145.8467 2335.6704 0.0000 0.0000 52083.1331 -109629.1388 299.3225 -161712.2719 -109272.0801 298.9961 -91.6787 -59.5062 760182.0055 -0.9859 -0.6992 PRESSURE: 2184200 -31.6882 -133.535 164.423 -133.535 260.727 -61.2726 164.423 -61.2718 -329.996 GPRESSURE: 2184200 68.3615 -66.7654 241.958 -110.665 272.613 23.6939 193.557 -40.8051 -341.862 PRESSAVG: 2184200 -6.27163 -17.9477 36.8218 -17.9477 34.0341 -14.554 36.8218 -14.554 31.0162 GPRESSAVG: 2184200 -4.85188 -18.2784 38.0896 -19.3931 34.2431 -15.3864 37.0215 -13.2007 30.0083 TIMING: 2184200 CPU: 6977.37, 0.00315227/step Wall: 6977.37, 0.00315227/step, 2.4656 hours remaining, 233.816406 MB of memory in use. ENERGY: 2184200 4004.9758 20366.0631 14507.2514 249.0826 -203279.8323 2514.7544 0.0000 0.0000 52269.4839 -109368.2210 300.3934 -161637.7049 -108994.5490 299.8480 -33.6522 -0.2958 759176.8068 19.5929 19.7998 LDB: ============= START OF LOAD BALANCING ============== 6989.79 LDB: ============== END OF LOAD BALANCING =============== 6989.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6989.79 LDB: ============= START OF LOAD BALANCING ============== 6990.11 LDB: Largest compute 7075 load 0.034537 is 17.7% of average load 0.195343 LDB: Average compute 0.004412 is 2.3% of average load 0.195343 LDB: TIME 6990.11 LOAD: AVG 0.195343 MAX 0.212298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.363 MB LDB: TIME 6990.11 LOAD: AVG 0.195343 MAX 0.212298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: TIME 6990.11 LOAD: AVG 0.195343 MAX 0.212298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: ============== END OF LOAD BALANCING =============== 6990.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6990.12 PRESSURE: 2184400 228.303 -148.074 54.1346 -148.075 43.23 6.09268 54.1346 6.09256 256.593 GPRESSURE: 2184400 296.577 -60.4731 98.9504 -106.896 13.1809 -28.3569 -45.4628 -34.1228 304.513 PRESSAVG: 2184400 -10.1126 1.09718 80.8914 1.09721 11.0114 -17.1673 80.8913 -17.1673 4.13514 GPRESSAVG: 2184400 -10.431 2.22243 79.657 2.54944 10.9311 -18.3506 81.9996 -17.9246 4.28815 TIMING: 2184400 CPU: 6978.02, 0.00323435/step Wall: 6978.02, 0.00323435/step, 2.52962 hours remaining, 232.851562 MB of memory in use. ENERGY: 2184400 4009.2838 20516.2330 14468.2506 253.1986 -203310.1681 2680.5501 0.0000 0.0000 52077.0035 -109305.6484 299.2873 -161382.6520 -108954.0853 299.8157 176.0419 204.7570 760815.2616 1.6780 1.5961 PRESSURE: 2184600 -104.625 -100.441 11.1349 -100.44 -56.4798 -144.145 11.1348 -144.145 60.5544 GPRESSURE: 2184600 -34.0907 -21.9297 -58.2307 -112.784 -27.5959 -125.875 89.5463 -25.5487 29.1965 PRESSAVG: 2184600 -4.9395 0.549773 18.8441 0.549774 -7.66339 -39.8785 18.8441 -39.8784 -16.0979 GPRESSAVG: 2184600 -6.04201 -1.17458 19.109 2.65634 -7.25819 -38.7154 18.0028 -39.9199 -15.3055 TIMING: 2184600 CPU: 6978.65, 0.0031676/step Wall: 6978.65, 0.0031676/step, 2.47724 hours remaining, 232.921875 MB of memory in use. ENERGY: 2184600 3868.8633 20473.8884 14528.5105 250.7897 -203023.0469 2379.7970 0.0000 0.0000 52100.5878 -109420.6101 299.4228 -161521.1979 -109048.7834 299.7240 -33.5168 -10.8300 762860.8931 -9.5669 -9.5352 PRESSURE: 2184800 -47.5002 -13.0672 -168.574 -13.0667 -47.5417 -77.3031 -168.574 -77.3034 248.027 GPRESSURE: 2184800 52.3978 1.39294 -43.5064 -43.351 27.7503 -48.2313 -73.4057 4.77275 190.787 PRESSAVG: 2184800 92.5127 30.7928 35.3905 30.7928 -51.6393 -52.6168 35.3905 -52.6168 18.1985 GPRESSAVG: 2184800 94.6484 32.4204 36.3916 27.1704 -50.9087 -53.5297 35.7413 -51.506 15.8726 TIMING: 2184800 CPU: 6979.28, 0.00316518/step Wall: 6979.28, 0.00316518/step, 2.47517 hours remaining, 232.921875 MB of memory in use. ENERGY: 2184800 3945.8285 20510.8848 14507.3076 230.5803 -203261.9449 2521.0367 0.0000 0.0000 51920.2902 -109626.0167 298.3866 -161546.3070 -109265.4860 299.3691 50.9952 90.3119 760952.4124 19.6906 19.8708 PRESSURE: 2185000 65.4414 63.8988 331.954 63.8984 493.008 312.198 331.954 312.197 97.1828 GPRESSURE: 2185000 157.485 61.5177 291.67 57.1655 518.894 270.609 270.847 239.181 76.5703 PRESSAVG: 2185000 -0.0624857 3.3394 0.37267 3.33946 -24.9623 4.67704 0.372636 4.67709 11.4991 GPRESSAVG: 2185000 -0.985256 5.15141 0.216704 4.24385 -25.7906 5.96515 -1.29101 2.65786 13.3162 TIMING: 2185000 CPU: 6979.91, 0.00316425/step Wall: 6979.91, 0.00316425/step, 2.47427 hours remaining, 232.921875 MB of memory in use. ENERGY: 2185000 4009.5473 20299.9723 14408.6446 251.3200 -203529.6476 2779.3778 0.0000 0.0000 52227.1778 -109553.6077 300.1503 -161780.7855 -109184.5336 299.3941 218.5442 250.9830 761364.0310 -4.5085 -4.4866 PRESSURE: 2185200 -186.704 236.229 212.005 236.23 100.812 -124.562 212.005 -124.563 -302.906 GPRESSURE: 2185200 -164.809 177.905 230.813 161.502 87.0103 -36.7593 208.744 -146.243 -244.739 PRESSAVG: 2185200 42.202 6.97113 28.5468 6.9711 -4.70707 -55.1597 28.5468 -55.1597 18.2471 GPRESSAVG: 2185200 42.9629 4.77968 26.2389 7.26522 -4.45344 -54.7153 29.86 -53.6861 17.8667 TIMING: 2185200 CPU: 6980.55, 0.00316702/step Wall: 6980.55, 0.00316702/step, 2.47626 hours remaining, 232.921875 MB of memory in use. ENERGY: 2185200 3950.0340 20296.2364 14448.3195 254.2797 -203805.4767 2683.1660 0.0000 0.0000 52127.1267 -110046.3144 299.5753 -162173.4411 -109674.6384 298.9089 -129.5991 -107.5127 758573.1572 18.5807 18.7920 PRESSURE: 2185400 -329.467 -100.501 128.245 -100.501 -164.745 -23.7822 128.245 -23.7836 -166.914 GPRESSURE: 2185400 -309.471 77.9341 142.432 -32.8929 -165.075 14.4414 87.9697 -54.0955 -83.6533 PRESSAVG: 2185400 -17.6539 30.7332 29.3666 30.7332 -12.7735 -33.5359 29.3667 -33.5359 -0.160993 GPRESSAVG: 2185400 -17.1081 32.6475 30.6064 30.2289 -14.4625 -34.1774 31.6538 -33.4851 0.295353 TIMING: 2185400 CPU: 6981.18, 0.00315982/step Wall: 6981.18, 0.00315982/step, 2.47045 hours remaining, 232.921875 MB of memory in use. ENERGY: 2185400 4030.7186 20438.6778 14416.9209 268.7852 -202977.7621 2009.2264 0.0000 0.0000 51947.1974 -109866.2359 298.5413 -161813.4333 -109501.6647 298.0502 -220.3750 -186.0664 760068.5862 -10.1961 -10.4251 PRESSURE: 2185600 -22.9292 15.0475 -140.587 15.0479 42.3938 35.5 -140.586 35.4987 276.813 GPRESSURE: 2185600 -51.8533 -104.249 -53.9071 45.9414 154.582 68.9146 -124.908 19.7476 276.456 PRESSAVG: 2185600 47.2993 -3.03356 21.7825 -3.03355 -32.9089 -48.8509 21.7826 -48.8509 -7.78633 GPRESSAVG: 2185600 47.668 -7.70635 22.8033 -1.68334 -31.1655 -47.3552 19.1829 -49.974 -9.69199 TIMING: 2185600 CPU: 6981.82, 0.00317522/step Wall: 6981.82, 0.00317522/step, 2.48232 hours remaining, 232.921875 MB of memory in use. ENERGY: 2185600 4012.0433 20568.2892 14519.9241 251.1063 -203560.4029 2518.9376 0.0000 0.0000 51954.8412 -109735.2612 298.5852 -161690.1024 -109373.9358 298.5717 98.7592 126.3948 760069.4254 2.2014 2.2701 PRESSURE: 2185800 45.6634 -7.85601 54.0772 -7.85676 151.428 48.1813 54.0775 48.1814 47.2081 GPRESSURE: 2185800 122.982 -40.8394 84.2507 32.523 200.122 109.567 0.697604 -27.156 14.9261 PRESSAVG: 2185800 57.6452 1.62812 19.7525 1.62811 -35.158 -63.9069 19.7525 -63.9069 -1.95543 GPRESSAVG: 2185800 56.3078 4.13525 18.6828 1.83354 -34.9556 -67.0421 20.9098 -62.322 -0.620254 TIMING: 2185800 CPU: 6982.45, 0.0031644/step Wall: 6982.45, 0.0031644/step, 2.47368 hours remaining, 232.921875 MB of memory in use. ENERGY: 2185800 3938.6485 20412.4049 14446.5697 280.1218 -203446.0580 2589.0906 0.0000 0.0000 52032.6096 -109746.6129 299.0321 -161779.2224 -109392.2250 298.3189 81.4333 112.6768 760235.8851 6.8439 6.9106 PRESSURE: 2186000 258.145 87.9936 -29.4377 87.9949 -338.8 11.8909 -29.4367 11.89 -375.282 GPRESSURE: 2186000 191.63 79.6197 67.7034 -40.8077 -295.736 -76.409 100.579 41.0686 -246.92 PRESSAVG: 2186000 34.0843 4.69739 -9.16336 4.69743 -33.3215 -42.4769 -9.16334 -42.4769 -23.0239 GPRESSAVG: 2186000 33.7749 4.07967 -9.07286 4.02019 -32.6548 -40.7187 -8.45956 -43.9228 -23.5434 TIMING: 2186000 CPU: 6983.08, 0.00317211/step Wall: 6983.08, 0.00317211/step, 2.47953 hours remaining, 232.921875 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: 2186000 3980.0248 20455.7649 14465.8883 243.7763 -203515.4114 2412.8914 0.0000 0.0000 52261.5907 -109695.4750 300.3481 -161957.0657 -109334.8187 298.8007 -151.9791 -117.0088 760640.2191 -7.4204 -7.4744 PRESSURE: 2186200 -57.6128 74.6952 -102.426 74.6941 -70.2384 224.355 -102.426 224.356 -18.1238 GPRESSURE: 2186200 40.3328 -32.7783 -81.3539 -70.7355 -56.4842 249.158 -46.094 97.2155 -24.3639 PRESSAVG: 2186200 50.9247 -18.2124 37.0688 -18.2124 -48.9381 -6.00376 37.0688 -6.00365 3.51486 GPRESSAVG: 2186200 50.4136 -18.0307 36.6668 -19.287 -49.4467 -8.25886 35.7451 -4.18773 4.51263 TIMING: 2186200 CPU: 6983.72, 0.00317574/step Wall: 6983.72, 0.00317574/step, 2.48219 hours remaining, 232.921875 MB of memory in use. ENERGY: 2186200 4069.2413 20478.9371 14449.7472 271.6209 -203409.2928 2422.1628 0.0000 0.0000 51986.6245 -109730.9590 298.7678 -161717.5835 -109359.1313 299.2325 -48.6584 -13.5051 760323.9030 1.8338 1.8265 PRESSURE: 2186400 200.785 -16.2004 -145.166 -16.2004 -177.75 20.7632 -145.165 20.7629 -4.4515 GPRESSURE: 2186400 279.484 -108.897 -82.9403 -26.3758 -76.241 23.1218 -157.626 42.2324 -98.1204 PRESSAVG: 2186400 52.3073 -1.08994 65.9252 -1.08991 -50.5495 2.481 65.9253 2.48103 34.9999 GPRESSAVG: 2186400 53.6735 -1.3753 65.1317 -0.65968 -50.024 4.8215 66.2349 2.05001 33.4568 TIMING: 2186400 CPU: 6984.35, 0.00316707/step Wall: 6984.35, 0.00316707/step, 2.47524 hours remaining, 232.921875 MB of memory in use. ENERGY: 2186400 3925.2242 20452.1706 14400.6946 242.8515 -203599.5558 2673.5588 0.0000 0.0000 52140.1883 -109764.8677 299.6504 -161905.0560 -109406.5984 298.7937 6.1947 35.0410 760849.5621 12.2526 12.3688 PRESSURE: 2186600 56.1647 14.8615 10.7132 14.8622 -21.8387 -34.1645 10.7136 -34.1648 -11.4391 GPRESSURE: 2186600 217.099 2.58509 -50.3228 -69.2952 -55.7308 -13.4845 -37.9434 27.0945 -71.9246 PRESSAVG: 2186600 39.3786 -10.094 19.9648 -10.094 -38.2011 -21.532 19.9648 -21.5321 1.34559 GPRESSAVG: 2186600 39.2387 -8.48968 19.9461 -9.76442 -38.1507 -21.7589 20.3188 -21.9238 1.46115 TIMING: 2186600 CPU: 6984.98, 0.00315649/step Wall: 6984.98, 0.00315649/step, 2.4668 hours remaining, 232.921875 MB of memory in use. ENERGY: 2186600 3948.3940 20493.5725 14497.2938 244.0632 -203701.8236 2945.8776 0.0000 0.0000 51904.6685 -109667.9540 298.2968 -161572.6225 -109310.8430 298.7302 7.6289 29.8145 759557.6554 0.8411 0.8497 PRESSURE: 2186800 -106.181 36.6837 167.455 36.6845 -75.7973 172.8 167.455 172.799 -452.667 GPRESSURE: 2186800 -68.7843 -112.809 217.414 39.6555 -136.998 189.069 288.463 86.4647 -351.216 PRESSAVG: 2186800 17.5304 76.4653 7.4171 76.4653 -14.7051 -38.084 7.41706 -38.084 -18.4907 GPRESSAVG: 2186800 17.1089 75.9945 7.71131 76.966 -14.9153 -38.9423 8.30276 -40.0788 -17.5101 TIMING: 2186800 CPU: 6985.61, 0.00315281/step Wall: 6985.61, 0.00315281/step, 2.46374 hours remaining, 232.921875 MB of memory in use. ENERGY: 2186800 3970.3067 20496.1013 14479.2384 267.4183 -203548.8951 2443.1584 0.0000 0.0000 52226.9801 -109665.6920 300.1492 -161892.6721 -109306.4979 299.1495 -211.5484 -185.6663 759410.2171 -5.2218 -5.1055 PRESSURE: 2187000 71.9313 131.638 -67.2524 131.637 81.1095 -108.211 -67.253 -108.212 -212.376 GPRESSURE: 2187000 45.5367 63.6109 -151.013 127.657 141.553 -136.45 -43.6113 -47.2573 -131.346 PRESSAVG: 2187000 8.24258 47.9969 -19.1922 47.9969 13.1119 -25.7337 -19.1922 -25.7337 14.8013 GPRESSAVG: 2187000 7.34514 45.5804 -17.4667 48.6303 14.874 -25.9494 -20.6173 -23.9607 14.2019 TIMING: 2187000 CPU: 6986.24, 0.00314508/step Wall: 6986.24, 0.00314508/step, 2.45753 hours remaining, 232.921875 MB of memory in use. ENERGY: 2187000 3990.6516 20507.3748 14489.0823 247.0166 -203604.0125 2672.6766 0.0000 0.0000 52009.1448 -109688.0659 298.8973 -161697.2107 -109332.7826 299.2121 -19.7782 18.5814 760049.7771 12.0519 12.1403 PRESSURE: 2187200 -134.936 275.906 128.582 275.906 -176.8 152.748 128.582 152.748 -290.965 GPRESSURE: 2187200 -138.319 186.838 115.822 304.944 -93.1165 122.888 -137.251 133.153 -280.483 PRESSAVG: 2187200 -15.179 48.4074 -18.073 48.4074 18.7885 29.3724 -18.073 29.3725 -11.1563 GPRESSAVG: 2187200 -13.6385 49.8992 -17.8912 45.9768 16.8884 29.6563 -19.068 30.5336 -11.1266 TIMING: 2187200 CPU: 6986.87, 0.00315361/step Wall: 6986.87, 0.00315361/step, 2.46402 hours remaining, 232.921875 MB of memory in use. ENERGY: 2187200 4046.7128 20522.4706 14527.3308 259.3827 -203518.1486 2510.1938 0.0000 0.0000 52232.4106 -109419.6473 300.1804 -161652.0579 -109064.7948 299.2508 -200.9003 -170.6396 762357.8946 -2.5156 -2.6256 PRESSURE: 2187400 -175.789 -120.809 197.743 -120.81 171.94 160.911 197.742 160.911 44.2115 GPRESSURE: 2187400 -114.523 -141.028 202.588 -162.908 282.351 197.919 88.1451 88.3094 -36.4248 PRESSAVG: 2187400 6.85594 3.85021 -62.8682 3.85023 -14.5824 19.5016 -62.8682 19.5015 -0.761912 GPRESSAVG: 2187400 6.75503 1.18671 -62.7965 7.1337 -13.8552 19.0549 -62.2119 19.3361 -1.61891 TIMING: 2187400 CPU: 6987.5, 0.00315853/step Wall: 6987.5, 0.00315853/step, 2.46769 hours remaining, 232.921875 MB of memory in use. ENERGY: 2187400 4076.1664 20517.0604 14512.4878 250.2559 -203812.3291 2781.7431 0.0000 0.0000 52116.0936 -109558.5220 299.5119 -161674.6156 -109207.1818 299.8360 13.4540 43.8013 760706.7124 -2.8295 -2.9064 PRESSURE: 2187600 182.555 27.9622 -82.9905 27.9624 200.187 39.8317 -82.9898 39.8314 61.3771 GPRESSURE: 2187600 232.88 -46.7859 -133.547 160.255 187.573 74.0911 -73.3473 27.9014 104.087 PRESSAVG: 2187600 15.4003 -28.0962 36.5382 -28.0963 4.7628 15.3553 36.5382 15.3554 2.65724 GPRESSAVG: 2187600 14.0822 -25.5614 35.5716 -28.821 4.25789 16.2661 38.0644 14.1527 4.66339 TIMING: 2187600 CPU: 6988.14, 0.00315694/step Wall: 6988.14, 0.00315694/step, 2.46627 hours remaining, 232.921875 MB of memory in use. ENERGY: 2187600 4048.1602 20547.8131 14521.1121 249.5455 -203862.5182 2820.5124 0.0000 0.0000 52130.8851 -109544.4899 299.5969 -161675.3749 -109179.3985 299.4625 148.0396 174.8465 758732.4706 7.6068 7.6678 PRESSURE: 2187800 -8.33857 -109.745 23.7744 -109.746 -208.68 86.5974 23.7747 86.5976 -226.732 GPRESSURE: 2187800 55.6985 -76.8557 85.606 15.5353 -248.036 127.416 105.489 39.8895 -180.741 PRESSAVG: 2187800 -4.11707 -3.07742 38.037 -3.07742 28.2925 35.0047 38.037 35.0047 -10.9 GPRESSAVG: 2187800 -4.10573 -2.95246 37.4586 -2.61999 27.9994 33.7846 38.3024 35.0227 -10.8224 TIMING: 2187800 CPU: 6988.77, 0.0031569/step Wall: 6988.77, 0.0031569/step, 2.46606 hours remaining, 232.921875 MB of memory in use. ENERGY: 2187800 3966.1177 20437.5480 14452.8034 241.1872 -203355.7779 2467.8057 0.0000 0.0000 52079.8946 -109710.4214 299.3039 -161790.3160 -109339.5093 299.5903 -147.9170 -124.3594 760979.5515 4.4251 4.3571 PRESSURE: 2188000 -71.8345 333.575 145.411 333.575 -150.249 -13.9172 145.412 -13.9164 76.2471 GPRESSURE: 2188000 -19.7262 224.67 145.533 250.488 -70.5162 -22.5019 166.533 81.9173 51.2451 PRESSAVG: 2188000 15.8769 -24.3297 -18.5909 -24.3298 -50.6304 -31.409 -18.5908 -31.409 -36.7483 GPRESSAVG: 2188000 17.3204 -24.899 -17.7155 -23.8856 -50.2646 -31.6125 -17.8386 -29.993 -38.2161 TIMING: 2188000 CPU: 6989.4, 0.00316323/step Wall: 6989.4, 0.00316323/step, 2.47083 hours remaining, 232.921875 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: 2188000 4001.6390 20592.4883 14506.9788 236.8073 -203628.9777 2493.5371 0.0000 0.0000 52219.8610 -109577.6662 300.1083 -161797.5272 -109213.3539 299.2107 -48.6121 -12.9991 760459.3452 -23.8340 -23.7201 PRESSURE: 2188200 -197.383 19.3898 56.8745 19.39 6.62271 -133.927 56.8742 -133.926 161.737 GPRESSURE: 2188200 -221.091 45.6382 15.8062 -7.78358 87.0579 -144.84 58.4527 -77.9747 189.358 PRESSAVG: 2188200 2.76699 6.29717 31.6765 6.29718 -25.2237 -53.1152 31.6766 -53.1151 7.72813 GPRESSAVG: 2188200 1.21903 7.54077 30.7301 4.84039 -24.5109 -51.233 30.3705 -53.503 8.65979 TIMING: 2188200 CPU: 6990.03, 0.00314582/step Wall: 6990.03, 0.00314582/step, 2.45706 hours remaining, 232.921875 MB of memory in use. ENERGY: 2188200 4019.0727 20511.9517 14475.4688 258.3479 -203813.1485 2677.4133 0.0000 0.0000 52216.1072 -109654.7869 300.0867 -161870.8941 -109289.8126 299.4194 -9.6744 18.4416 760125.8959 -4.9095 -4.8774 LDB: ============= START OF LOAD BALANCING ============== 7002.45 LDB: ============== END OF LOAD BALANCING =============== 7002.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7002.45 LDB: ============= START OF LOAD BALANCING ============== 7002.77 LDB: Largest compute 7074 load 0.034535 is 17.7% of average load 0.195443 LDB: Average compute 0.004400 is 2.3% of average load 0.195443 LDB: TIME 7002.77 LOAD: AVG 0.195443 MAX 0.211947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.004 MB LDB: TIME 7002.77 LOAD: AVG 0.195443 MAX 0.211947 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.004 MB LDB: TIME 7002.77 LOAD: AVG 0.195443 MAX 0.211947 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.004 MB LDB: ============== END OF LOAD BALANCING =============== 7002.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7002.78 PRESSURE: 2188400 197.204 -84.992 20.0904 -84.9926 -241.025 57.9706 20.091 57.9713 -203.245 GPRESSURE: 2188400 84.5433 21.3788 -36.0283 -68.6 -95.5588 22.3022 29.8466 -105.395 -148.518 PRESSAVG: 2188400 45.5368 51.5126 35.7272 51.5126 -37.438 -25.5492 35.7272 -25.5492 15.7823 GPRESSAVG: 2188400 45.6737 51.4554 37.0408 51.3096 -37.1417 -25.4664 35.5038 -27.7657 15.7616 TIMING: 2188400 CPU: 6990.68, 0.00323007/step Wall: 6990.68, 0.00323007/step, 2.52269 hours remaining, 233.621094 MB of memory in use. ENERGY: 2188400 3953.9528 20588.1457 14541.0875 236.5452 -203375.1137 2525.0855 0.0000 0.0000 51799.1194 -109731.1776 297.6903 -161530.2970 -109372.3862 298.9291 -82.3554 -53.1777 761102.7502 7.9604 8.0979 PRESSURE: 2188600 38.1586 81.2658 68.5799 81.2653 132.602 -11.4509 68.5804 -11.4504 -37.0907 GPRESSURE: 2188600 93.8204 121.14 74.4403 16.089 172.338 -29.4473 99.1671 -54.3326 -64.4281 PRESSAVG: 2188600 16.7989 50.0067 65.8505 50.0067 -23.5383 -10.9562 65.8505 -10.9562 -18.4874 GPRESSAVG: 2188600 17.6544 48.7359 66.2833 49.8837 -23.9813 -12.5686 66.617 -9.52458 -18.5883 TIMING: 2188600 CPU: 6991.3, 0.00314138/step Wall: 6991.3, 0.00314138/step, 2.45324 hours remaining, 233.621094 MB of memory in use. ENERGY: 2188600 3991.1234 20532.1386 14441.7842 222.4939 -203854.0551 2889.1428 0.0000 0.0000 52032.9372 -109744.4350 299.0340 -161777.3721 -109385.3906 298.7908 44.5567 67.2436 762039.0468 -8.4089 -8.3051 PRESSURE: 2188800 -27.0045 -257.356 74.9768 -257.355 -104.61 4.04629 74.9762 4.04632 313.568 GPRESSURE: 2188800 25.8818 -275.227 125.399 -343.149 -87.4879 54.5186 145.517 -28.4098 324.591 PRESSAVG: 2188800 27.82 -19.2674 56.3227 -19.2674 31.0345 36.0258 56.3227 36.0257 -6.37662 GPRESSAVG: 2188800 28.1382 -18.4672 55.4195 -18.776 29.8604 36.7043 55.0005 35.8223 -6.00076 TIMING: 2188800 CPU: 6991.93, 0.00314983/step Wall: 6991.93, 0.00314983/step, 2.45967 hours remaining, 233.621094 MB of memory in use. ENERGY: 2188800 3906.0353 20558.1050 14471.4226 250.1317 -203144.4346 2371.9023 0.0000 0.0000 51901.6693 -109685.1685 298.2796 -161586.8378 -109325.4132 298.8811 60.6513 87.6615 760843.3668 17.4926 17.3326 PRESSURE: 2189000 -110.735 103.386 96.4606 103.385 -12.5778 -14.5262 96.4613 -14.5263 -64.5246 GPRESSURE: 2189000 -34.5419 117.72 178.104 170.848 -20.3512 104.731 141.932 -17.3748 -32.1638 PRESSAVG: 2189000 42.0374 21.1696 71.1949 21.1696 -26.398 -3.31288 71.1949 -3.31285 1.7296 GPRESSAVG: 2189000 40.4078 20.5495 71.0036 21.0556 -24.7 -2.3742 71.975 -3.2225 1.64603 TIMING: 2189000 CPU: 6992.56, 0.00314442/step Wall: 6992.56, 0.00314442/step, 2.45526 hours remaining, 233.621094 MB of memory in use. ENERGY: 2189000 3979.6460 20271.1523 14478.2376 235.1490 -203514.9205 2659.9529 0.0000 0.0000 52067.3149 -109823.4676 299.2316 -161890.7826 -109464.0196 298.6950 -62.6125 -29.0190 762286.1151 5.7897 5.7846 PRESSURE: 2189200 -172.135 -130.555 115.83 -130.555 87.4367 95.4109 115.83 95.4099 87.5764 GPRESSURE: 2189200 -31.6654 -29.4575 145.409 -114.223 107.31 115.737 104.784 -98.7819 22.664 PRESSAVG: 2189200 9.34599 48.8182 23.121 48.8182 6.08582 39.7965 23.121 39.7965 3.23455 GPRESSAVG: 2189200 11.2453 49.7938 21.4194 48.7296 4.95862 39.8314 23.4403 41.1434 2.21539 TIMING: 2189200 CPU: 6993.19, 0.00314216/step Wall: 6993.19, 0.00314216/step, 2.45333 hours remaining, 233.621094 MB of memory in use. ENERGY: 2189200 3966.6054 20457.1546 14415.6134 255.5632 -202913.7408 2103.2575 0.0000 0.0000 52090.3128 -109625.2337 299.3637 -161715.5465 -109265.9847 298.4564 0.9593 32.7694 762278.5277 6.2221 6.1398 PRESSURE: 2189400 -493.836 129.185 -3.77529 129.185 -433.85 -128.424 -3.77623 -128.424 -286.323 GPRESSURE: 2189400 -486.546 63.4926 -37.1149 116.198 -289.286 -142.866 -51.2366 -23.4354 -346.746 PRESSAVG: 2189400 -12.5049 -0.236785 -13.0571 -0.236794 1.04386 -47.3205 -13.0571 -47.3205 -5.03675 GPRESSAVG: 2189400 -14.5135 0.564973 -12.087 0.444549 2.23569 -48.125 -15.6678 -48.963 -4.22925 TIMING: 2189400 CPU: 6993.82, 0.00314726/step Wall: 6993.82, 0.00314726/step, 2.45714 hours remaining, 233.621094 MB of memory in use. ENERGY: 2189400 4030.6674 20530.9740 14492.2376 251.0663 -203119.5991 2298.9314 0.0000 0.0000 52007.2995 -109508.4228 298.8867 -161515.7223 -109137.0821 298.7366 -404.6697 -374.1923 762720.2985 -5.4993 -5.5024 PRESSURE: 2189600 -159.235 184.763 -200.763 184.763 -226.235 109.083 -200.763 109.083 127.886 GPRESSURE: 2189600 -92.0007 248.349 -196.315 158.452 -212.537 152.572 -240.327 198.394 144.748 PRESSAVG: 2189600 -0.321719 -10.0311 13.8771 -10.0311 -13.4194 46.1448 13.8772 46.1448 -1.95568 GPRESSAVG: 2189600 0.661548 -12.7016 13.4537 -7.94086 -13.9888 46.2809 16.5511 46.7763 -2.36379 TIMING: 2189600 CPU: 6994.45, 0.00314919/step Wall: 6994.45, 0.0031492/step, 2.45847 hours remaining, 233.621094 MB of memory in use. ENERGY: 2189600 3951.4804 20386.3046 14423.0972 235.0966 -203228.4694 2306.5334 0.0000 0.0000 52340.9884 -109584.9689 300.8044 -161925.9573 -109210.8586 299.4921 -85.8613 -53.2631 759938.9951 -5.2323 -5.2304 PRESSURE: 2189800 -150.818 -143.477 64.9866 -143.477 -385.038 32.3004 64.9872 32.2999 -8.43018 GPRESSURE: 2189800 -205.943 -152.459 24.833 -48.1979 -253.517 -16.4796 2.19053 -38.6412 -3.17222 PRESSAVG: 2189800 -0.621542 -0.524144 12.2289 -0.524165 30.1741 28.1373 12.2289 28.1373 9.98701 GPRESSAVG: 2189800 -2.35559 1.31264 11.7022 -1.49567 30.3746 27.5931 11.8908 26.8203 10.8548 TIMING: 2189800 CPU: 6995.08, 0.00315527/step Wall: 6995.08, 0.00315527/step, 2.46304 hours remaining, 233.621094 MB of memory in use. ENERGY: 2189800 3967.5259 20442.5765 14524.0410 252.3273 -203609.7563 2420.4827 0.0000 0.0000 52338.5911 -109664.2119 300.7906 -162002.8030 -109303.6916 299.1920 -181.4289 -154.2109 758845.4314 13.1799 12.9579 PRESSURE: 2190000 1.2909 245.695 -87.5545 245.695 32.2946 -127.968 -87.555 -127.967 127.371 GPRESSURE: 2190000 51.9864 244.664 -14.494 144.612 41.5498 -185.239 -50.8272 -12.3226 156.349 PRESSAVG: 2190000 -23.318 27.4429 -8.8231 27.4429 49.3764 -46.8222 -8.82314 -46.8223 -9.74081 GPRESSAVG: 2190000 -20.8906 27.6638 -7.75539 23.6911 47.9076 -46.2063 -9.22813 -45.186 -10.7585 TIMING: 2190000 CPU: 6995.71, 0.00314066/step Wall: 6995.71, 0.00314065/step, 2.45146 hours remaining, 233.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2190000 4009.0866 20561.9086 14404.8942 242.5425 -203714.6930 2526.8347 0.0000 0.0000 52225.0603 -109744.3663 300.1381 -161969.4266 -109387.4685 299.4630 53.6522 83.2950 758979.4164 5.4392 5.4195 PRESSURE: 2190200 -214.079 21.4855 -333.55 21.4851 -203.831 -246.027 -333.549 -246.027 143.758 GPRESSURE: 2190200 -108.039 2.46395 -406.563 34.9554 -211.081 -297.128 -254.992 -249.666 118.32 PRESSAVG: 2190200 -47.9478 -15.6865 3.34865 -15.6865 52.298 -95.9449 3.34866 -95.945 8.76142 GPRESSAVG: 2190200 -48.8616 -14.9034 1.4941 -15.0264 52.564 -96.3373 2.15874 -94.9423 9.42902 TIMING: 2190200 CPU: 6996.33, 0.00312751/step Wall: 6996.33, 0.00312751/step, 2.44102 hours remaining, 233.621094 MB of memory in use. ENERGY: 2190200 3962.0025 20590.4690 14503.1391 246.1566 -203662.8555 2484.3361 0.0000 0.0000 52082.5965 -109794.1557 299.3194 -161876.7522 -109434.0981 299.4046 -91.3840 -66.9331 760865.7827 4.3705 4.3771 PRESSURE: 2190400 -56.4767 -80.7396 -108.44 -80.7399 302.478 54.184 -108.439 54.1841 5.38298 GPRESSURE: 2190400 5.78149 10.9449 -148.206 -63.0758 245.478 -9.35411 124.333 9.41385 57.0369 PRESSAVG: 2190400 -78.9687 10.2212 19.0924 10.2211 68.3209 -14.7184 19.0925 -14.7184 5.22048 GPRESSAVG: 2190400 -80.2148 10.2143 20.1007 12.038 69.0104 -15.2117 21.9246 -14.479 5.29538 TIMING: 2190400 CPU: 6996.96, 0.00313774/step Wall: 6996.96, 0.00313773/step, 2.44883 hours remaining, 233.621094 MB of memory in use. ENERGY: 2190400 4019.2320 20626.6695 14450.3357 261.1526 -203863.2998 2349.2041 0.0000 0.0000 52185.0596 -109971.6465 299.9083 -162156.7060 -109618.9338 298.8894 83.7947 102.7654 761818.1227 -1.8091 -1.9697 PRESSURE: 2190600 92.7233 -150.85 85.6205 -150.849 127.62 110.922 85.6203 110.922 112.182 GPRESSURE: 2190600 104.122 -193.074 97.6015 -115.605 127.597 197.116 81.9099 -2.4969 181.186 PRESSAVG: 2190600 -8.08338 -26.6823 9.12695 -26.6823 18.6816 -41.3086 9.12698 -41.3086 11.0599 GPRESSAVG: 2190600 -6.87289 -26.5081 9.15744 -28.0275 17.7308 -40.6586 5.54993 -44.3467 10.9722 TIMING: 2190600 CPU: 6997.59, 0.00313757/step Wall: 6997.59, 0.00313757/step, 2.44852 hours remaining, 233.621094 MB of memory in use. ENERGY: 2190600 4037.1121 20407.7937 14486.1651 251.7208 -203832.0927 2704.7628 0.0000 0.0000 52028.6389 -109915.8992 299.0093 -161944.5381 -109547.1522 299.0185 110.8419 137.6347 760024.4669 7.2194 7.2767 PRESSURE: 2190800 -271.177 -81.157 -98.429 -81.1576 136.335 -48.0758 -98.4294 -48.0752 150.745 GPRESSURE: 2190800 -131.563 55.9505 3.94995 -114.547 121.435 -45.6388 -178.846 15.8736 117.634 PRESSAVG: 2190800 -18.2865 -10.3761 7.04964 -10.3762 6.93238 -79.8001 7.04961 -79.8002 -13.0041 GPRESSAVG: 2190800 -19.668 -9.90968 8.24811 -10.6267 7.8029 -78.9607 8.93035 -78.8053 -12.5524 TIMING: 2190800 CPU: 6998.21, 0.00312393/step Wall: 6998.21, 0.00312393/step, 2.43771 hours remaining, 233.621094 MB of memory in use. ENERGY: 2190800 4038.2897 20425.7267 14493.3501 245.4436 -203558.9274 2410.6279 0.0000 0.0000 52074.4123 -109871.0772 299.2724 -161945.4895 -109498.8720 298.4944 5.3010 35.8352 758807.8634 -8.1194 -8.1392 PRESSURE: 2191000 -162.522 128.786 -1.88162 128.785 -308.513 161.45 -1.88145 161.448 -252.155 GPRESSURE: 2191000 -50.6137 53.3416 0.922955 135.34 -248.605 97.6382 -13.0463 93.2958 -347.705 PRESSAVG: 2191000 -20.3629 -20.2097 22.3462 -20.2097 41.0146 -15.0632 22.3462 -15.0631 -0.311311 GPRESSAVG: 2191000 -18.4971 -22.5607 20.5413 -17.9433 41.7808 -16.0155 23.2394 -14.6979 -2.91266 TIMING: 2191000 CPU: 6998.84, 0.00313729/step Wall: 6998.84, 0.00313729/step, 2.44796 hours remaining, 233.621094 MB of memory in use. ENERGY: 2191000 4008.5286 20520.8097 14581.3427 234.8654 -203414.7489 2546.0566 0.0000 0.0000 51592.3956 -109930.7504 296.5022 -161523.1460 -109587.6853 298.5832 -241.0634 -215.6415 761848.4706 6.7801 6.7903 PRESSURE: 2191200 -271.628 -122.101 99.8468 -122.1 -3.97901 302.886 99.8465 302.886 -103.991 GPRESSURE: 2191200 -181.852 -35.2082 122.39 -163.323 -44.3588 326.764 150.952 197.01 -72.8626 PRESSAVG: 2191200 -37.4138 45.6416 48.3095 45.6415 -12.7415 -11.3503 48.3095 -11.3503 0.961012 GPRESSAVG: 2191200 -37.8802 46.1348 49.8992 44.2848 -14.6144 -11.3482 48.2899 -11.3939 2.99353 TIMING: 2191200 CPU: 6999.47, 0.00314305/step Wall: 6999.47, 0.00314305/step, 2.45227 hours remaining, 233.621094 MB of memory in use. ENERGY: 2191200 4069.3618 20616.0817 14437.6964 241.8891 -203654.5836 2631.2063 0.0000 0.0000 51808.0663 -109850.2820 297.7417 -161658.3483 -109493.5915 298.3729 -126.5329 -99.6913 761756.6681 -16.3981 -16.5004 PRESSURE: 2191400 4.62008 -145.7 53.9799 -145.7 16.67 -342.051 53.9808 -342.05 274.556 GPRESSURE: 2191400 33.6352 -7.25621 35.2511 -141.745 128.123 -425.065 27.5088 -261.876 226.554 PRESSAVG: 2191400 -24.8097 -29.9315 19.0137 -29.9314 19.1342 -9.5667 19.0137 -9.5667 10.9792 GPRESSAVG: 2191400 -25.8248 -29.3979 19.0062 -30.726 21.1566 -9.45463 18.0795 -7.99318 10.4964 TIMING: 2191400 CPU: 7000.1, 0.00313664/step Wall: 7000.1, 0.00313664/step, 2.44711 hours remaining, 233.878906 MB of memory in use. ENERGY: 2191400 3999.9896 20341.3657 14507.0386 221.8005 -203927.7845 3035.8173 0.0000 0.0000 51983.2930 -109838.4797 298.7487 -161821.7727 -109493.5664 298.5444 98.6155 129.4372 761563.8683 1.7679 1.9427 PRESSURE: 2191600 -223.076 94.2119 -56.196 94.2111 274.905 288.082 -56.1968 288.082 -140.626 GPRESSURE: 2191600 -232.601 -0.941232 -45.4603 100.235 289.946 234.431 -179.078 184.059 -56.5416 PRESSAVG: 2191600 -27.1362 -5.47778 -16.975 -5.4778 31.2799 -43.8524 -16.9751 -43.8524 8.57494 GPRESSAVG: 2191600 -25.4421 -8.17144 -16.4895 -2.76563 29.5192 -43.8694 -17.0188 -46.4578 8.46776 TIMING: 2191600 CPU: 7000.72, 0.00312207/step Wall: 7000.72, 0.00312207/step, 2.43556 hours remaining, 233.886719 MB of memory in use. ENERGY: 2191600 4026.4266 20487.9406 14490.3288 241.8566 -203665.6898 2562.0352 0.0000 0.0000 51770.2472 -110086.8548 297.5243 -161857.1020 -109738.9810 298.7570 -29.5989 0.2677 760204.8329 4.2395 4.1816 PRESSURE: 2191800 31.6369 115.193 21.1734 115.192 -0.425958 -83.5286 21.1737 -83.5277 35.0098 GPRESSURE: 2191800 100.109 109.332 67.2188 64.1269 -17.3267 -60.0485 2.80086 129.204 70.6811 PRESSAVG: 2191800 4.67515 -26.4469 -6.59183 -26.4469 -8.69156 -29.7938 -6.59184 -29.7938 -8.30598 GPRESSAVG: 2191800 2.65092 -23.5098 -7.60816 -29.9258 -7.855 -28.8105 -6.3538 -27.0475 -7.04501 TIMING: 2191800 CPU: 7001.35, 0.0031181/step Wall: 7001.35, 0.0031181/step, 2.43229 hours remaining, 233.886719 MB of memory in use. ENERGY: 2191800 3933.3350 20593.7490 14450.4002 265.5129 -204025.6136 2849.2732 0.0000 0.0000 51835.2559 -110098.0874 297.8979 -161933.3433 -109738.8459 298.1123 22.0736 51.1544 760041.0166 -4.1075 -4.0830 PRESSURE: 2192000 -327.819 -35.5557 -2.81522 -35.5561 280.199 -68.6408 -2.81495 -68.642 503.392 GPRESSURE: 2192000 -201.478 -52.4874 71.2334 -109.005 280.088 -68.0821 2.16589 -91.1483 447.145 PRESSAVG: 2192000 -68.8876 -39.2677 24.8822 -39.2677 16.3521 6.89495 24.8823 6.89499 26.2837 GPRESSAVG: 2192000 -67.7469 -39.0319 25.4476 -39.6329 16.6796 8.94399 25.6914 5.29527 24.2492 TIMING: 2192000 CPU: 7001.97, 0.00312156/step Wall: 7001.97, 0.00312156/step, 2.43482 hours remaining, 233.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2192000 3905.3178 20327.4313 14595.9469 236.9420 -203404.3590 2497.9551 0.0000 0.0000 51856.8723 -109983.8936 298.0222 -161840.7659 -109614.4666 298.2491 151.9238 175.2517 760476.8448 -8.7506 -8.9394 PRESSURE: 2192200 -131.814 -190.173 98.3346 -190.172 -292.396 -60.4375 98.3346 -60.4376 -326.003 GPRESSURE: 2192200 -41.9183 -131.887 13.47 -181.724 -302.924 -107.462 92.5612 -141.423 -313.278 PRESSAVG: 2192200 1.85891 -19.0482 23.8336 -19.0482 42.5538 -48.764 23.8336 -48.764 5.11429 GPRESSAVG: 2192200 1.22123 -20.6722 23.0408 -15.4254 42.1386 -51.406 22.477 -46.7088 5.85428 TIMING: 2192200 CPU: 7002.6, 0.00313875/step Wall: 7002.6, 0.00313875/step, 2.44805 hours remaining, 233.886719 MB of memory in use. ENERGY: 2192200 4011.3050 20522.4903 14516.2885 257.7661 -203450.8242 2370.7903 0.0000 0.0000 51934.5153 -109837.6688 298.4684 -161772.1841 -109478.5411 298.5944 -250.0709 -219.3736 760991.2845 16.5090 16.4047 LDB: ============= START OF LOAD BALANCING ============== 7015.02 LDB: ============== END OF LOAD BALANCING =============== 7015.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7015.02 LDB: ============= START OF LOAD BALANCING ============== 7015.33 LDB: Largest compute 7074 load 0.034792 is 17.8% of average load 0.195357 LDB: Average compute 0.004403 is 2.3% of average load 0.195357 LDB: TIME 7015.34 LOAD: AVG 0.195357 MAX 0.214646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.488 MB LDB: TIME 7015.34 LOAD: AVG 0.195357 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.625 MB LDB: TIME 7015.34 LOAD: AVG 0.195357 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.625 MB LDB: ============== END OF LOAD BALANCING =============== 7015.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7015.34 PRESSURE: 2192400 88.8045 -13.8693 -132.42 -13.8698 174.69 -305.556 -132.42 -305.556 -166.843 GPRESSURE: 2192400 114.526 41.3519 -119.49 -40.516 173.242 -340.272 -73.2842 -170.854 -109.56 PRESSAVG: 2192400 -16.9965 -22.4005 -16.8226 -22.4005 30.1311 2.34598 -16.8226 2.34604 16.0963 GPRESSAVG: 2192400 -15.9809 -20.495 -17.9657 -24.1593 30.2232 1.77535 -15.739 1.40185 15.4871 TIMING: 2192400 CPU: 7003.24, 0.00320437/step Wall: 7003.24, 0.00320437/step, 2.49905 hours remaining, 233.359375 MB of memory in use. ENERGY: 2192400 3870.1745 20658.4909 14461.7093 231.4416 -203311.1460 2186.0745 0.0000 0.0000 51936.3298 -109966.9254 298.4788 -161903.2552 -109605.7051 298.1102 32.2170 59.4027 761187.5347 9.7436 9.9098 PRESSURE: 2192600 -204.443 -117.712 -0.00310573 -117.712 -355.176 16.5048 -0.00224234 16.5036 -19.8927 GPRESSURE: 2192600 -255.401 -143.27 -51.2385 -109.532 -299.191 1.90143 5.84386 5.22722 76.1104 PRESSAVG: 2192600 57.4295 1.3578 -44.0205 1.35775 -64.1682 -0.0118435 -44.0205 -0.011799 -22.6303 GPRESSAVG: 2192600 56.7683 1.7169 -41.8397 -2.04125 -64.8686 2.3038 -43.8793 -0.73358 -21.4549 TIMING: 2192600 CPU: 7003.87, 0.00314826/step Wall: 7003.87, 0.00314826/step, 2.45512 hours remaining, 233.562500 MB of memory in use. ENERGY: 2192600 3954.1870 20361.4323 14448.1731 240.6623 -203484.1056 2489.1182 0.0000 0.0000 51858.1868 -110132.3460 298.0297 -161990.5328 -109770.3234 298.0479 -193.1706 -159.4941 760946.6385 -9.7897 -9.8517 PRESSURE: 2192800 414.139 69.6109 152.522 69.6121 -327.773 -24.3181 152.522 -24.3179 185.703 GPRESSURE: 2192800 443.561 20.8873 149.041 78.5961 -237.346 -5.51578 178.288 -166.406 156.225 PRESSAVG: 2192800 73.386 12.4993 21.4113 12.4992 -77.1453 -23.2262 21.4113 -23.2262 -9.91386 GPRESSAVG: 2192800 73.0208 10.3574 20.0898 14.3492 -77.1305 -25.2342 21.3973 -23.2061 -9.84888 TIMING: 2192800 CPU: 7004.5, 0.00313675/step Wall: 7004.5, 0.00313675/step, 2.44597 hours remaining, 233.562500 MB of memory in use. ENERGY: 2192800 3923.8386 20391.2395 14477.2839 251.8237 -203712.8058 2645.4936 0.0000 0.0000 51985.4262 -110037.7003 298.7610 -162023.1265 -109674.6998 298.3677 90.6899 120.8135 761352.2036 -4.5577 -4.6529 PRESSURE: 2193000 -109.521 81.4171 -23.4909 81.4165 437.686 -176.894 -23.4911 -176.894 16.4123 GPRESSURE: 2193000 30.3977 -9.95817 24.9314 158.452 379.576 -162.675 -113.403 -39.0102 12.6289 PRESSAVG: 2193000 47.1535 -43.0285 25.69 -43.0284 -29.6962 -35.628 25.69 -35.6279 -16.5734 GPRESSAVG: 2193000 47.0624 -42.3584 25.967 -41.9076 -30.0845 -34.7197 24.5876 -35.4703 -16.1549 TIMING: 2193000 CPU: 7005.12, 0.00313801/step Wall: 7005.12, 0.00313801/step, 2.44677 hours remaining, 233.562500 MB of memory in use. ENERGY: 2193000 3935.9820 20483.5094 14557.9061 238.0612 -204012.8968 2689.6904 0.0000 0.0000 52275.1876 -109832.5600 300.4262 -162107.7476 -109468.2988 298.8129 114.8593 140.8674 759268.7209 0.2946 0.2743 PRESSURE: 2193200 -176.131 -340.097 -127.934 -340.098 -215.85 29.2035 -127.933 29.2032 -511.5 GPRESSURE: 2193200 -139.857 -211.624 -54.9955 -336.761 -241.199 63.9981 -101.582 114.263 -420.8 PRESSAVG: 2193200 82.1455 -21.1659 -7.68069 -21.1659 -116.495 -2.42263 -7.68063 -2.42271 -8.18684 GPRESSAVG: 2193200 82.9194 -20.9081 -7.76105 -20.0453 -116.603 -3.22048 -9.10656 -4.05618 -8.44118 TIMING: 2193200 CPU: 7005.75, 0.00314908/step Wall: 7005.75, 0.00314908/step, 2.45523 hours remaining, 233.562500 MB of memory in use. ENERGY: 2193200 4049.0253 20543.1811 14521.0659 270.1227 -203195.4648 2246.3703 0.0000 0.0000 51839.7413 -109725.9582 297.9237 -161565.6995 -109358.1170 299.2438 -301.1601 -267.2852 759423.2440 -14.1788 -14.0416 PRESSURE: 2193400 350.442 -105.012 -32.6587 -105.012 -119.729 -20.1178 -32.6597 -20.1177 93.2816 GPRESSURE: 2193400 279.229 -168.086 -26.6006 -158.945 46.1058 -105.167 9.73927 64.7107 71.644 PRESSAVG: 2193400 18.9788 -62.1069 -37.0208 -62.1069 -39.7185 8.59306 -37.0209 8.5931 -3.54514 GPRESSAVG: 2193400 18.629 -61.6415 -36.5572 -63.1434 -38.8751 8.90169 -33.0601 10.328 -3.94587 TIMING: 2193400 CPU: 7006.39, 0.00317679/step Wall: 7006.39, 0.00317679/step, 2.47666 hours remaining, 233.562500 MB of memory in use. ENERGY: 2193400 3957.1389 20569.9188 14465.5263 254.9225 -203854.0069 2630.4129 0.0000 0.0000 52142.9874 -109833.1001 299.6665 -161976.0875 -109462.1155 299.0853 107.9982 132.3264 759846.3098 -8.0950 -8.0640 PRESSURE: 2193600 207.015 -144.139 -24.7171 -144.138 116.197 -127.468 -24.7172 -127.47 492.507 GPRESSURE: 2193600 199.842 -133.417 -70.0518 -99.7705 116.815 -136.006 -36.2711 -4.55273 612.141 PRESSAVG: 2193600 19.8178 -41.8946 -19.9846 -41.8946 -42.1971 -58.6518 -19.9846 -58.6518 -12.9698 GPRESSAVG: 2193600 20.2847 -41.8102 -19.7689 -42.8423 -42.3258 -59.1039 -24.2573 -60.3399 -12.5978 TIMING: 2193600 CPU: 7007.02, 0.00313797/step Wall: 7007.02, 0.00313797/step, 2.44622 hours remaining, 233.562500 MB of memory in use. ENERGY: 2193600 3969.4923 20586.9581 14433.6758 266.1093 -203268.5956 2529.0286 0.0000 0.0000 51467.7745 -110015.5571 295.7860 -161483.3315 -109658.4619 298.2915 271.9061 309.5991 761309.6354 -11.7831 -11.5463 PRESSURE: 2193800 -61.0082 -48.8164 42.692 -48.8166 156.543 140.633 42.6917 140.633 95.9345 GPRESSURE: 2193800 39.0129 -44.6222 -23.9504 -76.1247 168.324 94.1057 136.423 49.6531 75.8455 PRESSAVG: 2193800 51.5434 -33.8356 29.9273 -33.8356 -103.867 -21.9277 29.9272 -21.9278 18.1936 GPRESSAVG: 2193800 51.1111 -34.6307 29.1434 -34.0377 -103.99 -20.9683 31.527 -21.2716 19.0077 TIMING: 2193800 CPU: 7007.64, 0.00313139/step Wall: 7007.64, 0.00313139/step, 2.44092 hours remaining, 233.562500 MB of memory in use. ENERGY: 2193800 3988.3537 20605.9514 14462.5088 266.5112 -203029.6752 2276.6364 0.0000 0.0000 51971.3912 -109458.3225 298.6803 -161429.7137 -109109.2592 298.9267 63.8230 94.3940 759545.6831 -11.3765 -11.2902 PRESSURE: 2194000 231.946 -20.3473 -193.078 -20.3477 -14.4766 377.763 -193.078 377.763 -191.112 GPRESSURE: 2194000 278.754 -18.1599 -183.773 -8.92486 -7.39647 287.151 -281.251 461.333 -170.476 PRESSAVG: 2194000 48.2274 -22.5279 30.2 -22.5279 -7.11847 20.4769 30.2001 20.4769 -13.1205 GPRESSAVG: 2194000 48.0522 -23.8304 30.6425 -21.8301 -6.09258 20.0996 31.0044 19.8298 -13.8231 TIMING: 2194000 CPU: 7008.27, 0.0031255/step Wall: 7008.27, 0.0031255/step, 2.43616 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2194000 3957.8285 20486.0853 14393.9499 223.2735 -203004.0975 2280.1398 0.0000 0.0000 52333.3601 -109329.4604 300.7605 -161662.8205 -108964.9095 300.0054 8.7861 33.6270 760809.9548 9.3295 9.3789 PRESSURE: 2194200 354.423 -261.973 127.912 -261.973 320.021 193.407 127.913 193.407 522.94 GPRESSURE: 2194200 446.66 -235.436 82.4695 -203.96 267.972 172.102 27.8233 -23.1028 549.151 PRESSAVG: 2194200 13.9917 -49.8895 30.2771 -49.8895 -24.4639 14.4333 30.2771 14.4333 -7.87155 GPRESSAVG: 2194200 14.934 -49.0484 30.5204 -52.1191 -24.7329 14.4866 27.5324 14.2771 -8.19435 TIMING: 2194200 CPU: 7008.89, 0.00312795/step Wall: 7008.89, 0.00312794/step, 2.43789 hours remaining, 233.562500 MB of memory in use. ENERGY: 2194200 3964.8258 20540.8361 14465.1182 238.3173 -203504.9923 2785.5540 0.0000 0.0000 52235.6747 -109274.6663 300.1991 -161510.3409 -108910.4255 300.3444 399.1279 421.2611 760631.8735 -6.1146 -5.9977 PRESSURE: 2194400 -261.945 -73.4703 -4.40234 -73.4705 -35.1871 53.749 -4.40227 53.7494 -100.132 GPRESSURE: 2194400 -203.613 -42.3267 -11.8532 -26.3115 -54.8187 144.606 130.896 -64.8248 -30.5963 PRESSAVG: 2194400 19.7977 -128.203 25.9365 -128.203 -16.5754 -7.76611 25.9365 -7.76621 -13.2507 GPRESSAVG: 2194400 19.437 -128.765 26.6907 -127.514 -15.6648 -8.1833 28.4797 -8.53151 -13.245 TIMING: 2194400 CPU: 7009.52, 0.00312285/step Wall: 7009.52, 0.00312285/step, 2.43374 hours remaining, 233.562500 MB of memory in use. ENERGY: 2194400 3920.3713 20509.2848 14477.8099 242.8566 -203027.0706 2443.8996 0.0000 0.0000 52053.3358 -109379.5125 299.1512 -161432.8483 -109024.0718 299.6905 -132.4215 -96.3427 760444.1524 -3.3428 -3.1576 PRESSURE: 2194600 139.724 127.041 142.125 127.041 -106.971 85.5739 142.125 85.5735 -82.2831 GPRESSURE: 2194600 212.581 31.7843 86.505 160.549 -149.952 119.765 32.2921 88.1748 -30.8956 PRESSAVG: 2194600 63.0256 -14.2448 -13.508 -14.2448 -35.1134 -55.1432 -13.5079 -55.1432 -15.6364 GPRESSAVG: 2194600 63.7701 -14.3219 -13.224 -11.2805 -35.6519 -53.7238 -15.5619 -54.134 -15.9413 TIMING: 2194600 CPU: 7010.14, 0.00312857/step Wall: 7010.14, 0.00312857/step, 2.43803 hours remaining, 233.562500 MB of memory in use. ENERGY: 2194600 3908.6943 20440.0477 14482.3509 244.4455 -203527.9583 2729.7724 0.0000 0.0000 52210.2155 -109512.4321 300.0528 -161722.6476 -109153.3107 299.5896 -16.5100 10.5779 760759.3486 4.0919 4.0590 PRESSURE: 2194800 -85.3875 147.75 -72.2436 147.75 -80.8785 39.1328 -72.2428 39.1329 -322.216 GPRESSURE: 2194800 -126.495 70.8263 79.6864 160.817 -12.1494 49.9507 -109.671 14.1017 -287.999 PRESSAVG: 2194800 27.4478 -5.6268 -19.0787 -5.62682 -5.58113 -14.5589 -19.0788 -14.5589 -16.2677 GPRESSAVG: 2194800 27.1973 -5.75994 -19.2621 -4.96795 -4.51878 -14.4282 -18.6321 -14.7108 -16.5484 TIMING: 2194800 CPU: 7010.77, 0.00312972/step Wall: 7010.77, 0.00312972/step, 2.43874 hours remaining, 233.562500 MB of memory in use. ENERGY: 2194800 3959.9753 20545.6577 14506.2616 241.8779 -203339.3086 2432.5957 0.0000 0.0000 52208.0969 -109444.8435 300.0407 -161652.9404 -109086.4449 299.6768 -162.8272 -142.2145 759604.1636 1.8663 2.0434 PRESSURE: 2195000 -286.119 5.49541 38.2888 5.49541 -47.0041 -39.996 38.2898 -39.9946 472.178 GPRESSURE: 2195000 -196.258 -36.1098 -32.8906 13.0983 -4.13023 -40.5147 97.3426 -65.2803 405.964 PRESSAVG: 2195000 34.4749 -28.2927 4.97385 -28.2927 -30.5642 -7.67335 4.97383 -7.67342 7.01684 GPRESSAVG: 2195000 34.7817 -28.5345 4.66515 -28.9527 -30.8446 -8.56028 8.18479 -8.42453 7.12894 TIMING: 2195000 CPU: 7011.4, 0.00314494/step Wall: 7011.4, 0.00314494/step, 2.45043 hours remaining, 233.562500 MB of memory in use. ENERGY: 2195000 3957.9639 20426.8844 14501.2380 241.7442 -203225.1807 2455.5052 0.0000 0.0000 52159.8007 -109482.0444 299.7631 -161641.8451 -109121.4097 299.7452 46.3515 68.5253 761027.4276 3.6425 3.6887 PRESSURE: 2195200 -348.709 65.142 130.997 65.142 -93.3506 21.7738 130.997 21.773 240.826 GPRESSURE: 2195200 -341.649 175.762 75.6493 100.148 -36.0764 5.2176 171.556 -6.83598 280.802 PRESSAVG: 2195200 103.719 -37.9211 35.0069 -37.921 -72.0186 44.8368 35.0069 44.8368 47.9637 GPRESSAVG: 2195200 103.178 -36.1408 34.6129 -39.0798 -72.5246 44.0293 33.429 45.1515 49.4966 TIMING: 2195200 CPU: 7012.03, 0.00315194/step Wall: 7012.03, 0.00315194/step, 2.45571 hours remaining, 233.562500 MB of memory in use. ENERGY: 2195200 4042.5039 20359.4461 14459.3767 245.3415 -203048.9177 2628.1922 0.0000 0.0000 51872.8580 -109441.1994 298.1140 -161314.0574 -109073.2774 299.3870 -67.0781 -32.3080 761418.9245 26.5547 26.7167 PRESSURE: 2195400 380.248 69.8997 -16.1678 69.9 0.478895 56.2601 -16.1685 56.2597 -42.7572 GPRESSURE: 2195400 345.137 46.2061 21.5426 42.7781 86.7974 183.081 -180.972 0.355238 -8.06001 PRESSAVG: 2195400 16.1053 20.4716 -8.60411 20.4717 -45.6219 -29.8162 -8.60414 -29.8162 11.5788 GPRESSAVG: 2195400 15.6766 20.4988 -7.54177 19.4505 -45.4344 -30.1017 -9.27077 -27.8303 11.0697 TIMING: 2195400 CPU: 7012.66, 0.00314187/step Wall: 7012.66, 0.00314187/step, 2.44769 hours remaining, 233.562500 MB of memory in use. ENERGY: 2195400 4029.4724 20554.0956 14510.1169 268.3573 -203377.1651 2502.4127 0.0000 0.0000 52226.1797 -109286.5305 300.1446 -161512.7102 -108934.5693 299.7380 112.6564 141.2914 761196.9196 -5.9793 -6.2294 PRESSURE: 2195600 -340.028 -345.723 49.5071 -345.723 -15.2206 60.3331 49.508 60.333 -111.557 GPRESSURE: 2195600 -226.844 -442.926 112.766 -243.7 -56.8421 56.7281 -12.7534 108.216 -109.591 PRESSAVG: 2195600 60.4424 -51.917 26.2906 -51.917 -5.92409 -55.3508 26.2906 -55.3508 -11.895 GPRESSAVG: 2195600 60.3765 -53.7476 26.6011 -51.4545 -4.90969 -54.6624 28.2383 -57.7636 -12.6504 TIMING: 2195600 CPU: 7013.29, 0.00314039/step Wall: 7013.29, 0.00314039/step, 2.44637 hours remaining, 233.562500 MB of memory in use. ENERGY: 2195600 4055.4895 20478.0607 14488.2085 235.1010 -203569.4465 2707.1283 0.0000 0.0000 52104.5428 -109500.9158 299.4455 -161605.4585 -109131.8804 299.8838 -155.6018 -131.0924 760383.7496 14.2078 14.2721 PRESSURE: 2195800 255.093 -123.7 63.9957 -123.7 -46.7817 43.3163 63.9959 43.3165 164.543 GPRESSURE: 2195800 247.833 -26.8502 109.054 -57.5399 -7.53244 29.5702 -30.1856 -49.1745 212.317 PRESSAVG: 2195800 29.6078 -48.9173 -12.3901 -48.9174 -44.1763 -31.9725 -12.3901 -31.9726 -1.67101 GPRESSAVG: 2195800 30.292 -49.0697 -12.1464 -45.9728 -46.1697 -31.7855 -13.4341 -30.847 -0.186023 TIMING: 2195800 CPU: 7013.91, 0.00313393/step Wall: 7013.91, 0.00313393/step, 2.44116 hours remaining, 233.562500 MB of memory in use. ENERGY: 2195800 3988.7564 20512.9021 14437.1522 229.1717 -203287.2791 2417.7760 0.0000 0.0000 52018.2158 -109683.3050 298.9494 -161701.5207 -109318.6733 298.8068 124.2849 150.8725 760169.3792 -5.4132 -5.3546 PRESSURE: 2196000 -19.9759 84.7716 152.595 84.7716 36.3998 -151.549 152.595 -151.549 -143.566 GPRESSURE: 2196000 -40.8777 -6.31026 181.07 9.63651 107.198 -112.19 155.278 -139.804 -112.169 PRESSAVG: 2196000 36.8548 -19.2453 -43.9286 -19.2453 -34.3466 -22.5939 -43.9286 -22.5939 15.1561 GPRESSAVG: 2196000 36.3675 -18.6137 -45.1013 -22.9472 -31.3092 -23.0119 -44.4167 -22.612 12.9157 TIMING: 2196000 CPU: 7014.54, 0.00315956/step Wall: 7014.54, 0.00315956/step, 2.46095 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2196000 3984.6956 20550.6688 14477.4881 232.5009 -203398.5070 2530.1366 0.0000 0.0000 51846.2244 -109776.7926 297.9610 -161623.0170 -109416.2449 298.8746 -42.3808 -15.2829 761058.0981 5.8881 5.9914 PRESSURE: 2196200 -122.404 37.4023 -66.4683 37.4029 34.6746 -69.8832 -66.4676 -69.8833 -557.317 GPRESSURE: 2196200 -66.671 -93.5656 -70.4877 17.5193 69.8169 -177.214 -37.4812 71.9697 -554.532 PRESSAVG: 2196200 16.6596 -32.2423 2.44657 -32.2422 -9.27065 30.4265 2.44658 30.4265 -8.17178 GPRESSAVG: 2196200 16.3362 -32.1764 1.92468 -32.4676 -9.78856 30.3206 3.63319 30.7937 -7.98557 TIMING: 2196200 CPU: 7015.17, 0.00314807/step Wall: 7015.17, 0.00314807/step, 2.45182 hours remaining, 233.562500 MB of memory in use. ENERGY: 2196200 4140.4786 20460.2756 14530.0521 246.9944 -203295.0953 2398.2961 0.0000 0.0000 51750.1511 -109768.8475 297.4088 -161518.9986 -109412.7217 299.1343 -215.0153 -183.7953 760018.8469 -0.2610 -0.4793 LDB: ============= START OF LOAD BALANCING ============== 7027.59 LDB: ============== END OF LOAD BALANCING =============== 7027.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7027.6 LDB: ============= START OF LOAD BALANCING ============== 7027.91 LDB: Largest compute 7075 load 0.035561 is 18.2% of average load 0.195310 LDB: Average compute 0.004413 is 2.3% of average load 0.195310 LDB: TIME 7027.91 LOAD: AVG 0.19531 MAX 0.214679 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.285 MB LDB: TIME 7027.91 LOAD: AVG 0.19531 MAX 0.214679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: TIME 7027.91 LOAD: AVG 0.19531 MAX 0.214679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: ============== END OF LOAD BALANCING =============== 7027.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7027.92 PRESSURE: 2196400 -142.965 114.902 -160.186 114.903 13.2663 33.5717 -160.187 33.5729 126.925 GPRESSURE: 2196400 -145.447 144.332 -243.915 155.779 81.8888 73.4457 -184.238 -5.48409 149.997 PRESSAVG: 2196400 -10.5521 -26.0756 -12.3591 -26.0756 45.8506 49.3515 -12.3591 49.3515 1.3354 GPRESSAVG: 2196400 -10.7159 -25.7196 -12.7867 -24.2668 44.742 49.2388 -11.6023 48.5431 2.73807 TIMING: 2196400 CPU: 7015.81, 0.00319869/step Wall: 7015.81, 0.00319869/step, 2.49106 hours remaining, 234.585938 MB of memory in use. ENERGY: 2196400 3970.1573 20520.8810 14406.7037 248.5660 -203369.4893 2413.5866 0.0000 0.0000 52061.6136 -109747.9811 299.1988 -161809.5947 -109381.7472 298.9854 -0.9244 28.8129 761583.8016 12.2113 12.2547 PRESSURE: 2196600 -340.629 -100.459 247.79 -100.459 -317.805 63.8853 247.79 63.8853 -190.296 GPRESSURE: 2196600 -318.732 -21.2197 270.941 -118.851 -345.915 23.3037 124.576 64.6385 -94.8288 PRESSAVG: 2196600 -15.1289 -51.7835 79.8838 -51.7835 -30.9242 -1.49357 79.8837 -1.49349 -12.3382 GPRESSAVG: 2196600 -12.8072 -51.8558 80.8493 -52.0466 -32.8127 1.4788 80.3461 -2.24263 -12.4175 TIMING: 2196600 CPU: 7016.44, 0.00314787/step Wall: 7016.44, 0.00314787/step, 2.45132 hours remaining, 234.789062 MB of memory in use. ENERGY: 2196600 3966.5280 20469.4380 14543.8178 260.6308 -203317.0381 2369.4131 0.0000 0.0000 52056.2949 -109650.9155 299.1682 -161707.2103 -109284.7010 299.1771 -282.9101 -253.1585 760812.0609 -19.4638 -19.3458 PRESSURE: 2196800 -104.455 26.1832 32.1217 26.1837 63.4923 -209.618 32.1208 -209.618 19.7351 GPRESSURE: 2196800 -58.0212 17.3663 -67.3273 55.9716 54.3742 -128.361 80.7295 -94.0055 75.879 PRESSAVG: 2196800 19.2569 22.1329 30.0529 22.1328 -10.9282 -37.7728 30.0529 -37.7727 -19.139 GPRESSAVG: 2196800 17.8388 21.5328 29.5458 22.3859 -9.55568 -40.7292 30.2127 -36.6704 -19.223 TIMING: 2196800 CPU: 7017.07, 0.00311936/step Wall: 7017.07, 0.00311936/step, 2.42894 hours remaining, 234.789062 MB of memory in use. ENERGY: 2196800 3927.6036 20322.9790 14488.4260 228.6428 -203408.7264 2560.5737 0.0000 0.0000 51990.2717 -109890.2296 298.7888 -161880.5013 -109525.8201 298.9105 -7.0758 24.0773 760687.8957 -3.6034 -3.6466 PRESSURE: 2197000 -221.45 -3.97893 91.3749 -3.97888 -22.8396 -175.68 91.3753 -175.68 -409.549 GPRESSURE: 2197000 -206.381 63.5085 48.3304 -26.2431 81.5146 -126.053 122.724 -82.5489 -410.463 PRESSAVG: 2197000 -13.7204 -20.0763 39.6346 -20.0763 13.5907 -74.1169 39.6345 -74.117 0.479643 GPRESSAVG: 2197000 -13.7494 -18.3487 39.2098 -21.4113 13.2377 -73.6604 40.203 -73.3221 1.21943 TIMING: 2197000 CPU: 7017.7, 0.0031413/step Wall: 7017.7, 0.0031413/step, 2.44585 hours remaining, 234.789062 MB of memory in use. ENERGY: 2197000 3988.5233 20360.7758 14545.8947 244.3382 -203595.7155 2522.1035 0.0000 0.0000 51949.9098 -109984.1702 298.5568 -161934.0800 -109626.9516 298.1039 -217.9463 -178.4429 759085.7289 0.1166 0.2359 PRESSURE: 2197200 263.96 28.1117 206.529 28.1112 -262.728 53.1862 206.528 53.1857 -258.013 GPRESSURE: 2197200 167.412 7.23325 229.354 43.4384 -140.476 77.7824 154.81 58.3144 -186.098 PRESSAVG: 2197200 -15.8612 -23.7667 -1.28915 -23.7666 30.2742 -57.6433 -1.28925 -57.6433 15.4504 GPRESSAVG: 2197200 -17.0756 -26.3091 0.276338 -22.7623 32.3813 -57.0961 -3.72587 -59.1932 14.7841 TIMING: 2197200 CPU: 7018.32, 0.0031377/step Wall: 7018.32, 0.0031377/step, 2.44288 hours remaining, 234.789062 MB of memory in use. ENERGY: 2197200 4033.2689 20531.1010 14459.8362 240.4734 -203735.1377 2464.4661 0.0000 0.0000 52138.3553 -109867.6369 299.6398 -162005.9922 -109511.4345 299.0422 -85.5936 -53.0541 758160.4448 9.9545 10.0299 PRESSURE: 2197400 -140.477 -224.875 -51.724 -224.875 251.425 -106.998 -51.7239 -106.998 -176.438 GPRESSURE: 2197400 -122.928 -275.791 -28.5015 -331.87 279.72 -190.499 29.7487 -110.537 -148.553 PRESSAVG: 2197400 7.29062 -36.6833 27.239 -36.6833 -29.4199 8.86782 27.239 8.86782 -11.0665 GPRESSAVG: 2197400 9.128 -37.7534 28.219 -38.127 -30.9153 8.09492 28.8687 7.5968 -11.0161 TIMING: 2197400 CPU: 7018.95, 0.00313002/step Wall: 7018.95, 0.00313002/step, 2.43672 hours remaining, 234.789062 MB of memory in use. ENERGY: 2197400 3987.5003 20402.5869 14456.6131 257.5807 -203347.1372 2387.6896 0.0000 0.0000 52018.2253 -109836.9413 298.9495 -161855.1666 -109475.1653 299.5967 -21.8298 2.7462 760117.4409 -11.0652 -10.9345 PRESSURE: 2197600 -124.452 141.984 -49.9305 141.984 -264.433 139.194 -49.9311 139.196 57.2143 GPRESSURE: 2197600 -114.975 61.5635 -13.1789 172.355 -218.906 79.0443 -54.9557 40.1988 77.8524 PRESSAVG: 2197600 -5.99246 -36.1151 -21.0145 -36.1151 -26.4918 -33.2627 -21.0145 -33.2626 6.17274 GPRESSAVG: 2197600 -6.977 -35.4716 -22.4528 -35.377 -25.4689 -33.2471 -21.5868 -31.6279 6.36911 TIMING: 2197600 CPU: 7019.57, 0.0031316/step Wall: 7019.57, 0.0031316/step, 2.43778 hours remaining, 234.789062 MB of memory in use. ENERGY: 2197600 3930.2771 20388.2593 14527.6876 254.3007 -203501.6335 2545.4466 0.0000 0.0000 52065.5937 -109790.0686 299.2217 -161855.6622 -109429.0982 299.2662 -110.5568 -85.3429 761006.8326 -8.7705 -8.6923 PRESSURE: 2197800 -20.4753 -5.87518 -62.5183 -5.87579 -254.534 -74.9009 -62.5185 -74.9012 81.5633 GPRESSURE: 2197800 -2.14768 -5.41051 -98.4171 -15.1865 -264.154 -54.0601 -51.5663 -133.394 143.907 PRESSAVG: 2197800 -40.4513 -74.9535 1.82807 -74.9535 40.2536 -58.399 1.82808 -58.399 -23.9834 GPRESSAVG: 2197800 -39.2934 -73.9368 0.149743 -74.5074 38.7343 -58.1045 3.64825 -59.9732 -23.902 TIMING: 2197800 CPU: 7020.2, 0.00313383/step Wall: 7020.2, 0.00313383/step, 2.43934 hours remaining, 234.789062 MB of memory in use. ENERGY: 2197800 3935.2942 20396.0857 14405.2553 243.7782 -203566.4649 2498.2387 0.0000 0.0000 52049.9522 -110037.8607 299.1318 -162087.8128 -109672.4571 299.0834 -64.4820 -40.7980 760693.1126 -8.0604 -8.1537 PRESSURE: 2198000 18.5716 -10.2829 4.15835 -10.283 44.0811 -39.6221 4.15769 -39.623 -31.959 GPRESSURE: 2198000 49.1053 -10.7347 -67.3233 20.6961 106.654 -32.2825 -118.884 1.15008 -20.8524 PRESSAVG: 2198000 3.04042 -39.3265 -9.66597 -39.3264 0.57144 -45.3322 -9.66599 -45.3322 4.714 GPRESSAVG: 2198000 2.05321 -38.7178 -7.88352 -40.4206 2.21112 -45.2967 -12.2246 -45.2215 4.56505 TIMING: 2198000 CPU: 7020.83, 0.00314021/step Wall: 7020.83, 0.00314021/step, 2.44413 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2198000 3987.1993 20298.7250 14422.9578 255.0657 -203681.4161 2539.4038 0.0000 0.0000 52085.5889 -110092.4757 299.3366 -162178.0646 -109726.5854 298.0550 10.2312 44.9689 760723.3712 2.7753 2.9431 PRESSURE: 2198200 -125.08 -208.104 -162.487 -208.104 -273.431 146.542 -162.486 146.541 -69.6038 GPRESSURE: 2198200 -95.6226 -195.803 -237.096 -79.3287 -219.2 74.1818 -192.571 66.4755 -79.913 PRESSAVG: 2198200 -20.9167 -11.2395 -4.44575 -11.2395 23.9324 14.446 -4.44582 14.446 3.54669 GPRESSAVG: 2198200 -20.4123 -12.0039 -5.47261 -9.22555 23.5839 12.9896 -5.28201 14.9941 4.21427 TIMING: 2198200 CPU: 7021.46, 0.00314202/step Wall: 7021.46, 0.00314202/step, 2.44537 hours remaining, 234.789062 MB of memory in use. ENERGY: 2198200 3992.3290 20319.5567 14461.2556 250.0534 -203782.8262 2615.0173 0.0000 0.0000 52114.4390 -110030.1752 299.5024 -162144.6142 -109669.2108 298.4983 -156.0382 -131.5786 760787.4198 2.1875 2.4620 PRESSURE: 2198400 148.979 258.888 -107.133 258.887 124.264 -16.9789 -107.133 -16.9781 130.605 GPRESSURE: 2198400 132.786 199.572 -150.478 133.397 136.694 -72.4774 -40.8109 -96.6266 220.016 PRESSAVG: 2198400 17.9406 -31.8788 -15.4977 -31.8788 -14.7035 31.0342 -15.4978 31.0343 -16.223 GPRESSAVG: 2198400 18.2564 -32.4534 -16.0702 -32.2767 -14.9888 31.6244 -12.1345 33.1644 -16.1985 TIMING: 2198400 CPU: 7022.09, 0.00314814/step Wall: 7022.09, 0.00314814/step, 2.44995 hours remaining, 234.789062 MB of memory in use. ENERGY: 2198400 3953.5356 20502.6482 14513.6278 243.0854 -203936.2683 2942.7176 0.0000 0.0000 51706.8118 -110073.8419 297.1598 -161780.6537 -109723.4537 297.9727 134.6161 163.1653 760177.5036 -4.3286 -4.3103 PRESSURE: 2198600 18.9819 39.2758 -36.0903 39.2749 -338.531 -33.7683 -36.0906 -33.7675 -291.242 GPRESSURE: 2198600 46.9988 -9.45596 -141.679 34.0216 -317.649 -10.5533 -9.06105 -115.21 -245.765 PRESSAVG: 2198600 10.621 -60.1786 -2.79471 -60.1786 21.0825 -97.5019 -2.79475 -97.5019 -20.7297 GPRESSAVG: 2198600 10.4317 -61.1197 -0.779919 -61.0564 21.7705 -96.7826 -4.75251 -100.198 -22.1139 TIMING: 2198600 CPU: 7022.72, 0.00313984/step Wall: 7022.72, 0.00313984/step, 2.44332 hours remaining, 234.789062 MB of memory in use. ENERGY: 2198600 3878.8001 20315.9640 14533.7120 238.6725 -203582.0323 2474.9838 0.0000 0.0000 52011.9739 -110127.9258 298.9135 -162139.8998 -109774.3751 298.0245 -203.5968 -172.1385 760909.9516 3.6579 3.3628 PRESSURE: 2198800 -138.339 123.118 112.07 123.117 -79.57 197.343 112.071 197.342 352.213 GPRESSURE: 2198800 -61.5848 113.677 96.7477 159.418 -73.2131 160.903 108.269 28.5482 360.801 PRESSAVG: 2198800 -9.92647 -9.35456 23.2088 -9.3547 27.0912 -41.9388 23.2088 -41.9388 26.2547 GPRESSAVG: 2198800 -9.73986 -9.37953 20.9444 -10.3242 26.3067 -40.8871 23.7535 -41.4802 27.2814 TIMING: 2198800 CPU: 7023.34, 0.00314492/step Wall: 7023.34, 0.00314492/step, 2.4471 hours remaining, 234.789062 MB of memory in use. ENERGY: 2198800 3881.0684 20549.7557 14491.3331 224.3420 -203741.7120 2844.0428 0.0000 0.0000 51947.6843 -109803.4857 298.5441 -161751.1700 -109441.8109 297.8995 44.7679 75.3344 762100.9260 14.4731 14.6161 PRESSURE: 2199000 141.023 -88.569 -121.553 -88.5687 -371.079 -7.85823 -121.554 -7.85873 237.636 GPRESSURE: 2199000 137.329 23.8986 -139.576 -133.802 -265.999 126.406 -59.3705 -12.9347 218.821 PRESSAVG: 2199000 11.6871 -43.1242 2.48187 -43.1243 -7.10445 21.9001 2.48189 21.9001 -30.6596 GPRESSAVG: 2199000 11.206 -39.9968 3.57927 -42.1938 -5.66602 22.7724 2.00528 22.1521 -31.6682 TIMING: 2199000 CPU: 7023.97, 0.00314417/step Wall: 7023.97, 0.00314417/step, 2.44634 hours remaining, 234.789062 MB of memory in use. ENERGY: 2199000 4050.1698 20387.0915 14467.1492 242.4598 -204055.5830 2809.1681 0.0000 0.0000 52297.2760 -109802.2685 300.5532 -162099.5445 -109435.3247 298.7328 2.5264 30.0503 759009.7339 -8.6923 -8.7094 PRESSURE: 2199200 -197.184 -36.3804 -277.921 -36.3794 53.6122 -1.94115 -277.92 -1.94127 -444.417 GPRESSURE: 2199200 -211.633 -13.888 -235.548 -28.0859 148.081 -50.5562 -91.0885 -21.2772 -449.022 PRESSAVG: 2199200 72.2564 -21.5555 -19.3246 -21.5554 -58.218 24.1003 -19.3247 24.1003 -10.6162 GPRESSAVG: 2199200 71.7785 -23.4713 -20.0067 -19.4985 -59.3285 22.2931 -19.2545 23.1851 -9.63448 TIMING: 2199200 CPU: 7024.61, 0.00316543/step Wall: 7024.61, 0.00316543/step, 2.4627 hours remaining, 234.789062 MB of memory in use. ENERGY: 2199200 3973.3724 20357.0982 14579.0721 268.1114 -203770.9808 2430.9905 0.0000 0.0000 52293.0829 -109869.2534 300.5291 -162162.3363 -109501.9389 298.9761 -195.9962 -170.8582 759170.9032 1.1407 0.9385 PRESSURE: 2199400 -187.993 -209.193 -73.8045 -209.194 -95.2019 124.827 -73.8044 124.827 262.16 GPRESSURE: 2199400 -142.378 -145.541 40.2452 -302.241 -35.6602 99.4505 -56.2262 143.282 236.14 PRESSAVG: 2199400 13.2075 -35.7482 -7.20815 -35.7482 -3.08406 33.9858 -7.20816 33.9858 15.9932 GPRESSAVG: 2199400 13.9645 -35.0396 -8.4397 -37.3658 -4.05776 35.0391 -5.82432 35.4091 15.8458 TIMING: 2199400 CPU: 7025.24, 0.00314215/step Wall: 7025.24, 0.00314215/step, 2.44442 hours remaining, 234.789062 MB of memory in use. ENERGY: 2199400 4065.2788 20515.1692 14460.0485 243.7402 -203838.1363 2743.7244 0.0000 0.0000 52008.8475 -109801.3278 298.8956 -161810.1753 -109447.1751 298.8080 -7.0114 19.3674 759739.4612 8.7055 8.5842 PRESSURE: 2199600 -62.8906 160.735 16.7185 160.735 -331.476 89.3401 16.7182 89.3421 -539.928 GPRESSURE: 2199600 -18.2163 135.232 66.2594 100.377 -320.635 56.1768 108.629 117.805 -509.478 PRESSAVG: 2199600 28.8499 -90.9188 -4.78845 -90.9187 -17.9224 31.1112 -4.78849 31.1112 0.147645 GPRESSAVG: 2199600 28.5111 -91.3876 -3.73821 -90.8851 -16.8325 30.0624 -5.15531 32.1208 -0.41074 TIMING: 2199600 CPU: 7025.86, 0.00314466/step Wall: 7025.86, 0.00314466/step, 2.44619 hours remaining, 234.789062 MB of memory in use. ENERGY: 2199600 4096.2993 20513.3147 14443.7615 239.1398 -203491.7648 2572.4741 0.0000 0.0000 51998.8887 -109627.8868 298.8383 -161626.7755 -109257.1419 299.7593 -311.4315 -282.7762 760386.9721 3.6917 3.7559 PRESSURE: 2199800 317.762 244.155 61.6365 244.155 -197.331 -177.9 61.6377 -177.9 511.247 GPRESSURE: 2199800 323.212 183.141 64.2142 216.383 -118.702 -142.972 102.646 -151.745 506.104 PRESSAVG: 2199800 37.2273 -20.2802 -15.4326 -20.2801 19.895 -7.82218 -15.4326 -7.82221 6.74233 GPRESSAVG: 2199800 37.4501 -21.5171 -13.0586 -20.4102 19.622 -6.24244 -15.3324 -10.9601 6.669 TIMING: 2199800 CPU: 7026.49, 0.00313544/step Wall: 7026.49, 0.00313544/step, 2.43885 hours remaining, 234.789062 MB of memory in use. ENERGY: 2199800 4019.2461 20698.3605 14455.6933 246.8748 -203979.9755 2942.6589 0.0000 0.0000 52001.5229 -109615.6191 298.8535 -161617.1419 -109253.4274 299.5886 210.5592 236.8711 760204.6441 21.2882 21.2470 PRESSURE: 2200000 -139.343 175.543 -75.4022 175.543 208.097 42.5242 -75.4033 42.5243 386.603 GPRESSURE: 2200000 -33.6095 142.194 -19.7233 178.24 215.441 4.47296 -162.188 -33.4234 378.188 PRESSAVG: 2200000 25.3225 -29.2368 -1.15318 -29.2367 -28.6805 7.28701 -1.15316 7.28695 21.5029 GPRESSAVG: 2200000 25.9186 -29.7845 -2.84312 -29.4576 -29.4708 6.16007 -3.92218 5.96287 21.8241 TIMING: 2200000 CPU: 7027.12, 0.00315365/step Wall: 7027.12, 0.00315365/step, 2.45284 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2200000 3963.9978 20372.4092 14501.6604 258.5291 -203985.4778 2704.2782 0.0000 0.0000 52542.3219 -109642.2813 301.9614 -162184.6031 -109256.9382 299.7460 151.7857 186.6730 759334.7621 6.0483 6.0907 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.4.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 93.1939 -46.023 62.3844 -46.0224 -35.8513 -79.0262 62.3838 -79.0253 220.765 GPRESSURE: 2200200 66.219 47.2584 26.5878 -71.1077 31.1783 -67.2789 78.6736 -55.1475 255.664 PRESSAVG: 2200200 29.4833 -29.2007 -8.16372 -29.2007 -61.8468 -22.4375 -8.16372 -22.4375 -0.228928 GPRESSAVG: 2200200 28.5786 -28.3844 -8.51509 -27.5747 -60.7528 -22.7777 -8.40207 -19.7353 -0.782632 TIMING: 2200200 CPU: 7027.77, 0.00325339/step Wall: 7027.77, 0.00325338/step, 2.53023 hours remaining, 234.789062 MB of memory in use. ENERGY: 2200200 3979.0141 20655.3672 14521.7320 233.9956 -203203.1632 2382.0668 0.0000 0.0000 52017.0792 -109413.9084 298.9429 -161430.9876 -109064.5335 299.8683 92.7024 117.6871 759153.7641 -10.8641 -10.9856 LDB: ============= START OF LOAD BALANCING ============== 7040.19 LDB: ============== END OF LOAD BALANCING =============== 7040.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7040.2 LDB: ============= START OF LOAD BALANCING ============== 7040.51 LDB: Largest compute 7024 load 0.032858 is 16.8% of average load 0.195477 LDB: Average compute 0.004407 is 2.3% of average load 0.195477 LDB: TIME 7040.52 LOAD: AVG 0.195477 MAX 0.214867 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.105 MB LDB: TIME 7040.52 LOAD: AVG 0.195477 MAX 0.214867 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: TIME 7040.52 LOAD: AVG 0.195477 MAX 0.214867 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: ============== END OF LOAD BALANCING =============== 7040.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7040.52 PRESSURE: 2200400 230.308 -218.829 66.6173 -218.829 -36.1707 -145.922 66.6166 -145.923 -454.621 GPRESSURE: 2200400 216.506 -187.93 25.2754 -209.83 -25.9296 -212.445 127.812 16.9286 -363.982 PRESSAVG: 2200400 -1.48745 -25.9956 4.31994 -25.9956 -24.716 -24.7961 4.31993 -24.7962 0.743242 GPRESSAVG: 2200400 -1.19895 -26.4032 5.20613 -27.0045 -25.2349 -24.7061 5.94973 -22.0822 1.20109 TIMING: 2200400 CPU: 7028.42, 0.00322623/step Wall: 7028.42, 0.00322623/step, 2.50893 hours remaining, 233.625000 MB of memory in use. ENERGY: 2200400 4004.0653 20543.6069 14521.4538 240.2716 -203320.7032 2563.4425 0.0000 0.0000 52104.0456 -109343.8175 299.4427 -161447.8631 -108976.1597 299.6727 -86.8279 -57.8021 760793.3948 -8.4867 -8.4109 PRESSURE: 2200600 62.787 -21.616 113.877 -21.6146 477.205 179.94 113.877 179.939 127.921 GPRESSURE: 2200600 66.7617 -43.4117 209.715 13.2244 516.333 177.083 -50.8319 139.58 172.499 PRESSAVG: 2200600 -25.9171 15.4494 11.3896 15.4494 33.8323 9.9557 11.3896 9.95568 -25.562 GPRESSAVG: 2200600 -27.8098 16.6296 12.1393 14.6891 35.4433 10.892 9.6182 7.40294 -25.6088 TIMING: 2200600 CPU: 7029.05, 0.00314512/step Wall: 7029.05, 0.00314512/step, 2.44568 hours remaining, 233.828125 MB of memory in use. ENERGY: 2200600 3969.3842 20647.3655 14445.4856 255.3505 -203325.8081 2559.0469 0.0000 0.0000 52208.4387 -109240.7366 300.0426 -161449.1754 -108876.0296 300.0594 222.6378 251.8647 759262.0733 -5.8823 -5.9918 PRESSURE: 2200800 316.497 -213.508 -37.7225 -213.509 -138.861 110.416 -37.7217 110.418 -175.429 GPRESSURE: 2200800 424.519 -188.357 -94.4082 -199.958 -224.411 140.436 -60.7515 157.16 -124.187 PRESSAVG: 2200800 59.044 -9.60916 -25.7108 -9.60914 -55.3278 20.3695 -25.7108 20.3693 -32.3319 GPRESSAVG: 2200800 59.858 -9.58106 -26.9888 -9.82616 -57.0262 20.4052 -25.8174 21.2982 -32.0773 TIMING: 2200800 CPU: 7029.67, 0.00313692/step Wall: 7029.67, 0.00313692/step, 2.43913 hours remaining, 233.828125 MB of memory in use. ENERGY: 2200800 3974.3485 20491.0767 14532.6411 231.6259 -203584.1001 2608.5734 0.0000 0.0000 52503.4021 -109242.4323 301.7378 -161745.8344 -108870.9551 299.7268 0.7357 25.3068 761890.5392 -9.5386 -9.7485 PRESSURE: 2201000 -178.942 -29.2988 177.486 -29.2987 -166.472 78.6318 177.485 78.631 99.7026 GPRESSURE: 2201000 -124.935 -91.425 172.095 -84.782 -195.848 55.526 185.779 221.018 142.856 PRESSAVG: 2201000 18.4994 -22.0979 31.3256 -22.0979 -64.7494 4.68997 31.3255 4.68992 -13.8148 GPRESSAVG: 2201000 19.2481 -22.2293 30.9285 -23.0947 -64.6038 5.57977 32.6142 3.27256 -14.8393 TIMING: 2201000 CPU: 7030.31, 0.00315726/step Wall: 7030.31, 0.00315726/step, 2.45477 hours remaining, 233.828125 MB of memory in use. ENERGY: 2201000 3919.3702 20709.1069 14494.8060 243.4529 -203491.7427 2517.2566 0.0000 0.0000 52313.4799 -109294.2702 300.6463 -161607.7501 -108929.5180 300.1232 -81.9037 -59.3091 762825.4618 -20.0216 -20.0650 PRESSURE: 2201200 -74.375 19.1051 21.2383 19.1045 201.391 190.869 21.2387 190.867 3.92718 GPRESSURE: 2201200 -91.0482 -46.1309 23.8349 155.249 297.675 183.169 -26.4203 141.582 -2.35469 PRESSAVG: 2201200 -8.64774 32.0078 10.7827 32.0079 2.91051 21.1886 10.7827 21.1885 -6.18342 GPRESSAVG: 2201200 -8.39524 33.1971 11.1755 33.7554 2.95905 20.6212 12.6242 22.4597 -6.05408 TIMING: 2201200 CPU: 7030.94, 0.0031564/step Wall: 7030.94, 0.0031564/step, 2.45393 hours remaining, 233.828125 MB of memory in use. ENERGY: 2201200 4012.2309 20506.7648 14463.1181 239.2144 -203411.8695 2758.0873 0.0000 0.0000 52076.8665 -109355.5874 299.2865 -161432.4539 -108984.0474 300.2506 43.6478 68.0907 761370.0597 -3.9736 -3.8301 PRESSURE: 2201400 66.1243 150.079 38.5959 150.079 -37.5127 -107.391 38.5959 -107.392 259.936 GPRESSURE: 2201400 123.574 178.847 15.9036 29.6886 -63.5339 -72.8133 -51.153 -102.488 299.425 PRESSAVG: 2201400 25.7409 47.5907 -6.83099 47.5907 -4.67802 11.8201 -6.83105 11.8201 -7.83935 GPRESSAVG: 2201400 25.7068 47.4109 -6.46926 46.5881 -5.56118 11.846 -10.5453 8.72138 -6.76728 TIMING: 2201400 CPU: 7031.57, 0.00316446/step Wall: 7031.57, 0.00316446/step, 2.46002 hours remaining, 233.828125 MB of memory in use. ENERGY: 2201400 4067.9663 20590.3856 14486.1054 235.8090 -203406.9223 2313.8850 0.0000 0.0000 52037.0138 -109675.7571 299.0574 -161712.7709 -109307.1853 299.3165 96.1824 119.8219 761354.4910 4.4078 4.4594 PRESSURE: 2201600 19.1638 85.3343 185.515 85.3343 -154.06 -64.5658 185.514 -64.5659 -147.431 GPRESSURE: 2201600 94.3649 11.0998 166.909 85.6916 -184.653 -123.955 91.612 -38.7281 -116.107 PRESSAVG: 2201600 63.6218 18.0404 0.477626 18.0404 -47.2193 -4.06171 0.477569 -4.06168 -1.56194 GPRESSAVG: 2201600 63.1265 17.149 -0.269926 18.8174 -46.9314 -5.15917 0.656552 -3.51906 -1.5482 TIMING: 2201600 CPU: 7032.2, 0.00314848/step Wall: 7032.2, 0.00314848/step, 2.44742 hours remaining, 233.828125 MB of memory in use. ENERGY: 2201600 4060.7769 20480.0296 14593.7911 234.2663 -203711.8181 2663.1697 0.0000 0.0000 52158.5242 -109521.2603 299.7558 -161679.7845 -109160.9617 299.1032 -94.1094 -68.7985 761897.8905 4.9468 4.8823 PRESSURE: 2201800 -8.94509 51.6985 -56.87 51.6989 227.876 -50.2626 -56.8694 -50.2634 -124.914 GPRESSURE: 2201800 79.9664 61.7868 -118.464 80.0063 236.642 7.22523 -50.1182 -180.319 -114.096 PRESSAVG: 2201800 9.611 -42.2342 7.18224 -42.2342 -9.42944 30.6902 7.18222 30.6901 -0.25981 GPRESSAVG: 2201800 10.0054 -41.1959 7.8733 -43.0916 -9.06603 31.0175 7.33937 32.304 -0.747276 TIMING: 2201800 CPU: 7032.82, 0.00312715/step Wall: 7032.82, 0.00312715/step, 2.43067 hours remaining, 233.828125 MB of memory in use. ENERGY: 2201800 3981.8340 20465.3157 14438.6070 222.5787 -203608.2874 2744.4259 0.0000 0.0000 52333.5251 -109422.0011 300.7615 -161755.5262 -109063.2926 299.4801 31.3389 67.5040 762475.4497 -0.0261 0.0640 PRESSURE: 2202000 226.056 -161.102 -25.3736 -161.102 3.2762 -3.85988 -25.3732 -3.85989 -287.404 GPRESSURE: 2202000 230.244 -137.052 28.3294 -161.332 21.2551 35.2023 -52.1327 45.7523 -215.577 PRESSAVG: 2202000 -29.621 -8.0326 -12.0134 -8.03264 -30.6555 -16.8914 -12.0135 -16.8913 5.69715 GPRESSAVG: 2202000 -29.5192 -8.42234 -12.5472 -7.54082 -30.7995 -15.7882 -10.1072 -18.0479 5.84694 TIMING: 2202000 CPU: 7033.45, 0.00314796/step Wall: 7033.45, 0.00314796/step, 2.44666 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2202000 4060.4245 20464.2303 14467.2012 242.9934 -203494.4448 2832.8210 0.0000 0.0000 52130.7831 -109295.9913 299.5963 -161426.7744 -108933.0618 299.4414 -19.3574 11.9741 762597.7920 -18.1931 -18.1572 PRESSURE: 2202200 114.849 -314.069 -27.6309 -314.069 286.514 -150.796 -27.631 -150.796 -18.1667 GPRESSURE: 2202200 161.086 -299.086 -26.7253 -131.291 257.543 -58.4816 -65.0937 -48.8237 31.8806 PRESSAVG: 2202200 -15.6021 -35.5936 6.49808 -35.5936 10.3496 39.8231 6.49804 39.823 20.1908 GPRESSAVG: 2202200 -15.6914 -37.8654 8.5539 -33.2979 11.1613 38.5718 7.15939 41.3066 19.5209 TIMING: 2202200 CPU: 7034.08, 0.00314099/step Wall: 7034.08, 0.00314099/step, 2.44107 hours remaining, 233.828125 MB of memory in use. ENERGY: 2202200 4058.7038 20600.7915 14438.6388 260.3199 -203434.8196 2633.6382 0.0000 0.0000 52113.4621 -109329.2653 299.4968 -161442.7274 -108965.3391 299.9891 127.7322 150.1701 762401.2907 4.9794 4.9969 PRESSURE: 2202400 392.237 -256.218 -88.6899 -256.219 -103.922 -126.61 -88.6895 -126.611 328.381 GPRESSURE: 2202400 329.702 -139.657 -145.039 -202.901 46.5911 -77.2498 -171.494 -199.336 312.968 PRESSAVG: 2202400 41.6928 -27.6795 30.5567 -27.6795 -17.6098 12.4401 30.5568 12.4402 -20.9152 GPRESSAVG: 2202400 41.932 -26.789 29.325 -30.4529 -18.4211 13.4787 29.5543 9.58784 -20.2302 TIMING: 2202400 CPU: 7034.71, 0.00314838/step Wall: 7034.71, 0.00314838/step, 2.44664 hours remaining, 233.828125 MB of memory in use. ENERGY: 2202400 4006.1848 20481.1752 14459.6514 245.0567 -203419.6092 2792.8390 0.0000 0.0000 51829.4677 -109605.2345 297.8647 -161434.7022 -109235.5461 299.7864 205.5653 229.7536 761062.2149 1.0559 1.0936 PRESSURE: 2202600 -197.296 0.310695 -164.46 0.310858 -199.172 34.4311 -164.46 34.4297 89.3322 GPRESSURE: 2202600 -189.167 39.593 -83.7969 -31.1891 -136.717 37.5742 -77.1247 14.9049 90.7275 PRESSAVG: 2202600 71.4059 -13.0051 23.2187 -13.0051 -56.7256 6.30862 23.2186 6.30859 0.940762 GPRESSAVG: 2202600 71.4288 -12.1523 24.6162 -12.2281 -56.4745 5.67502 22.9102 6.8057 0.525186 TIMING: 2202600 CPU: 7035.34, 0.00315036/step Wall: 7035.34, 0.00315036/step, 2.448 hours remaining, 233.828125 MB of memory in use. ENERGY: 2202600 3951.6978 20485.6114 14472.7295 253.6866 -203329.5258 2404.0781 0.0000 0.0000 52113.7364 -109647.9861 299.4984 -161761.7224 -109283.0484 298.4714 -102.3783 -78.3855 763025.8781 5.2070 5.1598 PRESSURE: 2202800 160.509 46.1589 -132.569 46.1589 28.252 79.1938 -132.57 79.1925 -274.739 GPRESSURE: 2202800 181.969 123.04 -137.989 120.82 113.575 104.879 -135.303 39.149 -288.741 PRESSAVG: 2202800 4.39171 7.48083 1.77033 7.48085 19.0195 3.07144 1.77033 3.07144 -20.2785 GPRESSAVG: 2202800 4.87045 6.0285 0.770629 8.56642 19.1872 3.73285 3.11754 5.6619 -20.4266 TIMING: 2202800 CPU: 7035.97, 0.00314628/step Wall: 7035.97, 0.00314628/step, 2.44466 hours remaining, 233.828125 MB of memory in use. ENERGY: 2202800 3937.4922 20576.7552 14403.0775 254.8999 -203726.0362 2706.2737 0.0000 0.0000 52156.0215 -109691.5164 299.7414 -161847.5378 -109325.2528 298.8180 -28.6593 2.2677 761411.2553 1.0442 1.2104 PRESSURE: 2203000 94.6736 -174.121 -0.144541 -174.122 -112.484 -1.48638 -0.144459 -1.48578 261.847 GPRESSURE: 2203000 134.943 -174.127 45.0189 -127.849 -119.711 -23.3058 42.5443 42.8914 329.641 PRESSAVG: 2203000 0.658615 -1.2334 37.3434 -1.2334 22.2183 7.49636 37.3434 7.49636 1.52066 GPRESSAVG: 2203000 -0.550809 -1.09734 36.5808 -0.398569 22.2434 7.68084 36.4952 5.16847 2.55914 TIMING: 2203000 CPU: 7036.6, 0.00314688/step Wall: 7036.6, 0.00314688/step, 2.44495 hours remaining, 233.828125 MB of memory in use. ENERGY: 2203000 4077.5383 20457.3996 14452.7438 246.8075 -203517.8496 2740.2125 0.0000 0.0000 51701.0234 -109842.1244 297.1265 -161543.1478 -109492.5018 298.7923 81.3453 114.9580 760635.8232 8.1325 8.0839 PRESSURE: 2203200 209.914 -181.375 -73.0634 -181.374 -169.024 -22.8586 -73.0625 -22.8592 27.7703 GPRESSURE: 2203200 174.198 -239.231 -160.064 -208.414 -56.2969 99.461 122.814 3.92003 35.3117 PRESSAVG: 2203200 44.6153 42.4652 29.9289 42.4652 -9.34212 -14.2301 29.9288 -14.2302 -5.8362 GPRESSAVG: 2203200 46.4815 42.0653 31.4217 42.2895 -8.51263 -14.0003 29.5483 -14.7855 -8.24854 TIMING: 2203200 CPU: 7037.23, 0.00312059/step Wall: 7037.23, 0.00312058/step, 2.42435 hours remaining, 233.828125 MB of memory in use. ENERGY: 2203200 3901.1499 20478.2863 14449.1218 252.4847 -203061.4362 2266.6320 0.0000 0.0000 52175.2757 -109538.4858 299.8520 -161713.7615 -109174.9202 298.7703 22.8866 51.0710 761652.9292 9.8123 9.9068 PRESSURE: 2203400 -182.189 -47.4126 130.636 -47.4123 -129.149 -170.733 130.636 -170.734 319.798 GPRESSURE: 2203400 -143.479 -148.386 20.6738 86.6325 -88.7537 -169.348 157.291 -173.27 312.498 PRESSAVG: 2203400 1.50085 -19.4179 -34.6985 -19.4179 18.7368 6.21595 -34.6984 6.21588 -3.96314 GPRESSAVG: 2203400 1.05903 -18.6551 -37.0522 -17.5648 18.8777 7.56605 -32.8237 7.96667 -3.02057 TIMING: 2203400 CPU: 7037.85, 0.00314172/step Wall: 7037.85, 0.00314172/step, 2.44059 hours remaining, 233.828125 MB of memory in use. ENERGY: 2203400 3897.0038 20553.4351 14598.3843 246.0855 -203524.6810 2576.7172 0.0000 0.0000 52093.5108 -109559.5441 299.3821 -161653.0550 -109201.6394 299.5339 2.8200 26.7551 761811.4122 5.4248 5.6387 PRESSURE: 2203600 -55.9205 98.6175 190.27 98.6182 -242.678 -120.608 190.271 -120.608 95.6946 GPRESSURE: 2203600 23.6238 151.924 275.088 159.362 -226.49 -86.953 82.7163 -144.471 88.8899 PRESSAVG: 2203600 8.03341 39.5521 64.4667 39.5521 -9.16145 28.3337 64.4667 28.3338 -11.7457 GPRESSAVG: 2203600 8.1104 38.2049 65.4054 37.6739 -8.69533 27.1772 62.2559 26.9254 -12.3165 TIMING: 2203600 CPU: 7038.48, 0.0031302/step Wall: 7038.48, 0.0031302/step, 2.43147 hours remaining, 233.828125 MB of memory in use. ENERGY: 2203600 3952.2708 20498.1305 14527.8742 251.5910 -203011.6306 2219.0412 0.0000 0.0000 52084.7842 -109477.9388 299.3320 -161562.7230 -109115.0296 299.4719 -67.6347 -37.9923 761397.2793 -4.2913 -4.3005 PRESSURE: 2203800 -403.921 -141.084 154.953 -141.083 -56.4881 21.4804 154.953 21.4807 -300.191 GPRESSURE: 2203800 -403.41 -151.214 121.222 -114.743 -1.39465 17.6334 117.624 45.9612 -228.409 PRESSAVG: 2203800 16.1325 -49.1843 15.21 -49.1843 -35.6949 -23.8063 15.21 -23.8064 4.65573 GPRESSAVG: 2203800 15.561 -48.4176 15.8644 -47.766 -35.679 -24.6561 13.7093 -22.3594 5.91686 TIMING: 2203800 CPU: 7039.1, 0.00312135/step Wall: 7039.1, 0.00312135/step, 2.42442 hours remaining, 233.828125 MB of memory in use. ENERGY: 2203800 3996.1615 20510.8176 14544.3469 237.7592 -203050.5044 2355.6024 0.0000 0.0000 52267.9109 -109137.9060 300.3844 -161405.8169 -108777.4294 300.0461 -253.5333 -211.0712 762132.6775 -4.9689 -4.7337 PRESSURE: 2204000 317.07 18.1994 62.5359 18.1993 280.737 108.724 62.5363 108.725 -463.027 GPRESSURE: 2204000 266.776 -38.6082 52.1798 -65.6017 296.869 116.572 45.6117 242.693 -365.752 PRESSAVG: 2204000 -7.87104 -56.7798 -1.5732 -56.7799 7.24812 35.2679 -1.5733 35.2679 15.839 GPRESSAVG: 2204000 -7.72082 -56.1958 -3.29546 -58.6431 6.22118 34.723 0.468097 36.0577 16.5912 TIMING: 2204000 CPU: 7039.73, 0.00314894/step Wall: 7039.73, 0.00314894/step, 2.44568 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2204000 3948.0986 20462.3359 14422.4063 250.0790 -203300.0937 2683.4457 0.0000 0.0000 52151.3826 -109382.3456 299.7147 -161533.7281 -109013.0562 299.8961 44.9266 65.9646 761676.6101 5.0720 5.0305 PRESSURE: 2204200 120.404 -171.188 -17.8325 -171.189 -261.888 -1.25393 -17.8325 -1.25442 272.285 GPRESSURE: 2204200 167.735 -85.6502 -84.8087 -65.6035 -229.505 4.42314 92.2544 101.986 282.603 PRESSAVG: 2204200 13.7193 -18.8341 5.30673 -18.834 -13.9535 10.8412 5.3067 10.8413 -23.9887 GPRESSAVG: 2204200 14.5162 -18.315 6.82322 -20.3009 -12.9603 11.9049 6.44763 11.0092 -25.5445 TIMING: 2204200 CPU: 7040.37, 0.00316268/step Wall: 7040.37, 0.00316268/step, 2.45618 hours remaining, 233.828125 MB of memory in use. ENERGY: 2204200 3998.6058 20572.9271 14533.2212 245.9399 -203282.9614 2602.8364 0.0000 0.0000 52063.7608 -109265.6701 299.2111 -161329.4309 -108904.5961 300.0667 43.6004 73.6112 761057.3756 -8.0743 -7.9962 LDB: ============= START OF LOAD BALANCING ============== 7052.79 LDB: ============== END OF LOAD BALANCING =============== 7052.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7052.79 LDB: ============= START OF LOAD BALANCING ============== 7053.11 LDB: Largest compute 7075 load 0.034128 is 17.5% of average load 0.195492 LDB: Average compute 0.004396 is 2.2% of average load 0.195492 LDB: TIME 7053.11 LOAD: AVG 0.195492 MAX 0.214433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.617 MB LDB: TIME 7053.11 LOAD: AVG 0.195492 MAX 0.214433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.617 MB LDB: TIME 7053.11 LOAD: AVG 0.195492 MAX 0.214433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.617 MB LDB: ============== END OF LOAD BALANCING =============== 7053.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7053.12 PRESSURE: 2204400 65.6756 -222.624 33.2953 -222.624 -124.968 75.4536 33.2958 75.4539 -1.44759 GPRESSURE: 2204400 94.9168 -282.648 59.7277 -170.753 -44.7714 24.6277 -43.1687 70.3394 -18.2455 PRESSAVG: 2204400 61.0851 -73.5766 44.92 -73.5766 -53.2204 79.9003 44.9201 79.9003 25.3099 GPRESSAVG: 2204400 59.2639 -73.4374 43.4212 -72.8929 -53.461 79.7351 44.705 78.7479 26.8169 TIMING: 2204400 CPU: 7041.01, 0.00322071/step Wall: 7041.01, 0.0032207/step, 2.50106 hours remaining, 235.613281 MB of memory in use. ENERGY: 2204400 3967.0222 20595.7192 14491.7355 259.3780 -203220.6564 2591.1211 0.0000 0.0000 52147.1818 -109168.4985 299.6906 -161315.6803 -108805.2088 299.9142 -20.2466 10.6333 760878.0524 11.0582 10.8733 PRESSURE: 2204600 104.244 -19.1629 -67.4016 -19.1636 -450.503 106.164 -67.4017 106.164 -150.792 GPRESSURE: 2204600 43.8268 55.6696 -119.258 36.4303 -298.566 96.4758 -108.368 123.175 -147.693 PRESSAVG: 2204600 31.4372 -76.3862 49.5988 -76.3863 -24.3045 -42.1143 49.5989 -42.1144 11.9329 GPRESSAVG: 2204600 31.2023 -75.8874 50.5478 -77.5992 -23.5931 -40.9395 48.1753 -42.4756 11.4908 TIMING: 2204600 CPU: 7041.64, 0.00316334/step Wall: 7041.64, 0.00316334/step, 2.45633 hours remaining, 235.812500 MB of memory in use. ENERGY: 2204600 4004.8817 20510.2314 14446.1636 260.0367 -202736.8963 2305.1896 0.0000 0.0000 51904.6600 -109305.7333 298.2968 -161210.3933 -108946.0474 299.9838 -165.6837 -134.1440 761799.6072 6.3552 6.3667 PRESSURE: 2204800 -114.129 60.3976 109.485 60.3978 191.134 -104.774 109.485 -104.774 -57.2816 GPRESSURE: 2204800 -13.9285 105.791 80.1897 6.21799 218.172 -47.2055 94.6467 56.2257 -108.918 PRESSAVG: 2204800 -5.45398 20.9116 -22.984 20.9116 -22.5777 1.60614 -22.9841 1.60613 -10.1646 GPRESSAVG: 2204800 -4.53111 20.22 -22.6625 22.2729 -22.8062 -0.270168 -23.1261 3.16811 -10.9379 TIMING: 2204800 CPU: 7042.27, 0.00313761/step Wall: 7042.27, 0.00313761/step, 2.43618 hours remaining, 235.812500 MB of memory in use. ENERGY: 2204800 3965.0654 20517.3502 14488.6923 244.7178 -203175.1993 2480.4263 0.0000 0.0000 52343.1708 -109135.7763 300.8169 -161478.9472 -108774.3665 299.8034 6.5745 31.7749 762190.1683 -12.7321 -12.7584 PRESSURE: 2205000 257.723 -117.876 -95.234 -117.877 200.393 -98.0081 -95.2334 -98.0086 123.98 GPRESSURE: 2205000 321.946 -101.34 29.6939 -86.95 211.645 -43.9586 -83.1104 -33.1178 145.347 PRESSAVG: 2205000 65.0774 -5.89818 2.2056 -5.89823 -44.1854 -44.9862 2.20559 -44.9862 0.294424 GPRESSAVG: 2205000 64.6668 -8.17984 3.55044 -3.30742 -43.9354 -43.9206 5.26181 -44.7555 1.50421 TIMING: 2205000 CPU: 7042.9, 0.00314241/step Wall: 7042.9, 0.00314241/step, 2.43973 hours remaining, 235.812500 MB of memory in use. ENERGY: 2205000 4042.9570 20397.7869 14477.0342 251.1509 -203557.7180 2829.4068 0.0000 0.0000 52357.5976 -109201.7845 300.8998 -161559.3821 -108845.5513 299.9319 194.0318 226.3128 760370.7542 7.0621 7.4119 PRESSURE: 2205200 31.3995 -182.253 10.7487 -182.253 -151.63 18.987 10.7492 18.9872 -245.213 GPRESSURE: 2205200 35.4025 -210.693 36.9025 -104.404 -79.239 59.1957 39.5383 -71.0979 -225.286 PRESSAVG: 2205200 27.6794 -31.072 9.68807 -31.072 -29.9736 -25.767 9.68804 -25.767 -1.87822 GPRESSAVG: 2205200 27.8918 -28.2634 9.25163 -33.5362 -31.3778 -24.9502 7.89563 -28.7026 -0.309044 TIMING: 2205200 CPU: 7043.53, 0.00314633/step Wall: 7043.53, 0.00314633/step, 2.4426 hours remaining, 235.812500 MB of memory in use. ENERGY: 2205200 4003.0824 20472.4929 14472.3349 236.8400 -202711.2743 2234.0187 0.0000 0.0000 52374.4373 -108918.0682 300.9966 -161292.5055 -108559.8626 300.4054 -121.8146 -89.7076 759730.1835 -1.3908 -1.2650 PRESSURE: 2205400 83.5917 -134.211 131.386 -134.211 -173.951 65.384 131.387 65.3845 -27.9417 GPRESSURE: 2205400 34.4108 -172.057 65.9865 -85.5626 -31.9367 81.3293 139.577 53.8573 -34.1452 PRESSAVG: 2205400 60.584 4.15963 13.3888 4.15956 -7.31652 24.9031 13.3888 24.9031 -12.9189 GPRESSAVG: 2205400 60.6883 2.5673 14.4559 5.92857 -5.82989 23.7184 11.5595 27.9157 -14.8373 TIMING: 2205400 CPU: 7044.16, 0.00315016/step Wall: 7044.16, 0.00315016/step, 2.4454 hours remaining, 235.812500 MB of memory in use. ENERGY: 2205400 4012.9940 20610.8950 14462.5362 250.4828 -203126.6254 2426.4189 0.0000 0.0000 52309.4438 -109053.8547 300.6231 -161363.2985 -108694.6855 300.3954 -39.4338 -10.5570 760431.9263 13.4495 13.3404 PRESSURE: 2205600 -509.774 -95.6675 96.056 -95.6679 -245.188 -26.1156 96.0561 -26.1157 -160.039 GPRESSURE: 2205600 -539.822 -84.0887 163.948 -111.972 -171.554 -88.5054 -13.0053 -97.513 -104.317 PRESSAVG: 2205600 20.2304 -38.6112 33.8581 -38.6112 15.2488 18.8284 33.8582 18.8283 -7.98393 GPRESSAVG: 2205600 19.8779 -37.6376 32.1728 -39.7425 15.6024 16.9537 36.2402 17.9416 -8.46116 TIMING: 2205600 CPU: 7044.78, 0.00313027/step Wall: 7044.78, 0.00313027/step, 2.42979 hours remaining, 235.812500 MB of memory in use. ENERGY: 2205600 3927.7748 20558.4634 14468.3788 234.3230 -202825.3715 2138.7707 0.0000 0.0000 52248.9386 -109248.7223 300.2754 -161497.6609 -108891.4947 300.1066 -305.0003 -271.8974 760081.0155 9.1651 9.0064 PRESSURE: 2205800 -0.912277 42.3231 -96.0678 42.3234 -40.4407 -212.927 -96.0682 -212.927 140.973 GPRESSURE: 2205800 85.4943 -12.8304 -65.0652 -18.0642 -40.1149 -246.933 -67.1626 -108.852 144.511 PRESSAVG: 2205800 40.109 -61.1942 6.00073 -61.1942 -49.9778 -11.3035 6.00073 -11.3036 21.2275 GPRESSAVG: 2205800 40.5539 -60.6526 5.50063 -59.2119 -51.4198 -9.16834 5.47008 -10.5517 22.3268 TIMING: 2205800 CPU: 7045.41, 0.00314049/step Wall: 7045.41, 0.00314049/step, 2.43754 hours remaining, 235.812500 MB of memory in use. ENERGY: 2205800 3914.2780 20349.5107 14461.0193 253.6467 -202803.2578 2393.5814 0.0000 0.0000 52206.2071 -109225.0148 300.0298 -161431.2218 -108859.8752 299.3795 33.2068 63.2969 759684.6382 3.7862 3.8203 PRESSURE: 2206000 -135.735 35.5004 -111.238 35.4994 130.971 7.56283 -111.238 7.56241 45.7097 GPRESSURE: 2206000 -97.7996 -16.8792 -110.221 103.861 163.879 9.76356 -65.879 -10.5248 55.7223 PRESSAVG: 2206000 20.3741 -52.6076 -10.4964 -52.6076 -14.9686 -1.46036 -10.4964 -1.46034 -7.27747 GPRESSAVG: 2206000 21.8198 -54.1928 -7.92729 -54.4568 -15.153 -1.22348 -12.8141 -1.32277 -8.63873 TIMING: 2206000 CPU: 7046.04, 0.00315414/step Wall: 7046.04, 0.00315414/step, 2.44796 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2206000 4000.3169 20452.9936 14509.2352 230.2137 -202741.7902 2240.4353 0.0000 0.0000 52157.6002 -109150.9953 299.7504 -161308.5954 -108783.0504 300.5155 13.6483 40.6005 762074.4225 -0.6240 -0.6573 PRESSURE: 2206200 -160.794 -130.52 -65.2512 -130.52 134.938 0.846639 -65.2517 0.847987 137.127 GPRESSURE: 2206200 -182.735 -215.749 -74.0473 21.9981 281.12 -7.04501 0.95008 33.5633 108.554 PRESSAVG: 2206200 -35.1851 -32.3487 -15.7449 -32.3487 53.0701 -29.0534 -15.7449 -29.0533 11.6669 GPRESSAVG: 2206200 -36.8346 -31.4799 -18.4109 -32.034 54.357 -29.7624 -15.1431 -29.1274 11.9776 TIMING: 2206200 CPU: 7046.67, 0.00314109/step Wall: 7046.67, 0.00314109/step, 2.43766 hours remaining, 235.812500 MB of memory in use. ENERGY: 2206200 3998.3258 20466.6868 14456.9343 243.7064 -203211.1861 2644.6825 0.0000 0.0000 52179.9108 -109220.9396 299.8787 -161400.8504 -108858.5659 300.2746 37.0904 68.9795 760372.5139 9.8507 9.8333 PRESSURE: 2206400 -26.4228 116.227 134.814 116.227 -340.379 -65.8286 134.813 -65.8285 -6.27081 GPRESSURE: 2206400 -5.09866 127.888 138.752 28.5121 -282.163 -18.6647 159.176 24.9426 -14.1483 PRESSAVG: 2206400 -20.8403 -61.8301 9.40576 -61.83 15.7317 0.8886 9.40573 0.888625 -16.3904 GPRESSAVG: 2206400 -20.5949 -62.6074 8.88861 -61.8677 14.4294 0.0345403 11.8554 1.94939 -15.3372 TIMING: 2206400 CPU: 7047.3, 0.00314495/step Wall: 7047.3, 0.00314495/step, 2.44048 hours remaining, 235.812500 MB of memory in use. ENERGY: 2206400 3970.7108 20521.1936 14473.5190 239.2881 -202976.0633 2350.6592 0.0000 0.0000 52043.6563 -109377.0364 299.0956 -161420.6926 -109013.7742 299.5185 -124.3574 -100.4699 761298.3259 -7.1663 -7.1676 PRESSURE: 2206600 342.273 -107.483 -6.85094 -107.483 346.69 29.5927 -6.85058 29.5928 224.178 GPRESSURE: 2206600 400.474 10.4905 -18.5673 -83.1782 342.97 33.8335 81.6084 -66.9968 253.636 PRESSAVG: 2206600 57.1433 -37.2916 32.4294 -37.2916 -69.4917 -23.0613 32.4294 -23.0614 -12.3238 GPRESSAVG: 2206600 57.7005 -33.5952 34.5353 -37.4119 -69.0856 -21.4635 30.7666 -24.7445 -13.2945 TIMING: 2206600 CPU: 7047.93, 0.0031461/step Wall: 7047.93, 0.0031461/step, 2.4412 hours remaining, 235.812500 MB of memory in use. ENERGY: 2206600 3949.4868 20457.6116 14526.9258 235.9082 -203430.9280 2731.4660 0.0000 0.0000 52104.5857 -109424.9439 299.4458 -161529.5296 -109053.7397 299.5401 304.3803 332.3599 761804.5005 -8.2241 -8.2265 PRESSURE: 2206800 -108.575 96.3164 239.012 96.3162 -230.96 178.361 239.013 178.361 -25.9951 GPRESSURE: 2206800 -88.8325 9.6604 213.233 94.3248 -127.637 114.742 121.391 199.04 -49.8223 PRESSAVG: 2206800 54.3856 -48.7264 16.163 -48.7265 -34.9212 21.4464 16.163 21.4464 -0.595087 GPRESSAVG: 2206800 53.8009 -51.2523 14.2255 -48.5769 -35.228 21.003 17.5273 21.343 -0.00995925 TIMING: 2206800 CPU: 7048.56, 0.00314069/step Wall: 7048.56, 0.00314069/step, 2.43682 hours remaining, 235.812500 MB of memory in use. ENERGY: 2206800 3972.1870 20605.3156 14486.9417 235.8994 -203171.6719 2164.7451 0.0000 0.0000 52229.9866 -109476.5965 300.1665 -161706.5831 -109112.8425 299.6685 -121.8436 -88.7640 760357.9127 6.2898 6.1876 PRESSURE: 2207000 66.7454 -33.0427 -215.859 -33.043 -364.564 34.5716 -215.86 34.5713 -151.024 GPRESSURE: 2207000 53.3606 12.8988 -251.724 135.852 -275.473 -19.1323 -234.231 51.2015 -144.905 PRESSAVG: 2207000 47.7813 -20.8036 20.2618 -20.8036 -18.1566 26.6526 20.2617 26.6526 -7.55114 GPRESSAVG: 2207000 47.2116 -20.7189 22.1588 -21.1088 -18.0772 25.9047 21.1374 27.5401 -7.61996 TIMING: 2207000 CPU: 7049.19, 0.00313749/step Wall: 7049.19, 0.00313749/step, 2.43417 hours remaining, 235.812500 MB of memory in use. ENERGY: 2207000 4020.3445 20528.0312 14454.5614 241.6704 -203137.1193 2418.2506 0.0000 0.0000 51972.6155 -109501.6458 298.6873 -161474.2613 -109140.4118 299.3334 -149.6142 -122.3390 761652.7638 7.3579 7.1715 PRESSURE: 2207200 430.668 -59.6417 -86.8446 -59.6414 382.692 27.4261 -86.8447 27.4269 619.617 GPRESSURE: 2207200 404.923 -57.7074 -118.027 -87.6456 507.762 37.9417 -68.5585 90.3385 582.769 PRESSAVG: 2207200 12.3608 -31.9717 39.3665 -31.9717 -3.22586 36.405 39.3665 36.405 8.36383 GPRESSAVG: 2207200 12.4388 -32.7851 38.998 -32.1211 -3.73459 38.5688 36.3295 34.3887 8.30416 TIMING: 2207200 CPU: 7049.82, 0.00315408/step Wall: 7049.82, 0.00315408/step, 2.44686 hours remaining, 235.812500 MB of memory in use. ENERGY: 2207200 3906.6944 20295.1702 14412.6161 265.9108 -203493.0962 2741.6329 0.0000 0.0000 52306.9482 -109564.1235 300.6088 -161871.0717 -109195.1809 299.0386 477.6589 498.4848 758202.6259 5.8329 5.6695 PRESSURE: 2207400 361.533 -12.3453 83.5508 -12.3448 1.47748 -12.2379 83.5513 -12.2378 -69.5779 GPRESSURE: 2207400 368.325 -46.1529 47.1206 -73.7372 14.5757 -24.4941 1.43412 -49.6617 -7.27034 PRESSAVG: 2207400 11.7039 -21.5255 14.4385 -21.5254 -15.766 -15.1138 14.4384 -15.1138 14.1598 GPRESSAVG: 2207400 11.6897 -23.7412 14.6477 -19.1565 -16.2164 -17.3472 16.6905 -12.9618 14.8278 TIMING: 2207400 CPU: 7050.45, 0.00316326/step Wall: 7050.45, 0.00316326/step, 2.45381 hours remaining, 235.812500 MB of memory in use. ENERGY: 2207400 3939.1611 20439.0949 14409.9282 221.0229 -202771.9582 2198.4049 0.0000 0.0000 51934.7291 -109629.6172 298.4696 -161564.3463 -109269.6656 298.9109 97.8109 125.2103 759767.9191 3.3659 3.4337 PRESSURE: 2207600 -3.79006 -149.598 -85.1865 -149.598 -40.989 -72.4477 -85.1862 -72.4485 -73.8101 GPRESSURE: 2207600 6.5581 -147.23 -149.855 -147.956 30.9937 -28.9676 -54.7721 -81.2074 -62.7541 PRESSAVG: 2207600 53.016 18.6367 -30.7778 18.6367 -87.2709 -2.63154 -30.7777 -2.63153 23.2874 GPRESSAVG: 2207600 53.3418 23.307 -32.9464 16.0877 -86.536 -1.13663 -31.2125 -3.66256 22.3608 TIMING: 2207600 CPU: 7051.08, 0.00314885/step Wall: 7051.08, 0.00314885/step, 2.44246 hours remaining, 235.812500 MB of memory in use. ENERGY: 2207600 4024.3640 20343.1510 14494.4676 237.5805 -202934.5057 2314.9241 0.0000 0.0000 51828.7592 -109691.2592 297.8606 -161520.0184 -109332.7298 298.4938 -39.5297 -8.4008 761544.9319 -3.6559 -3.6111 PRESSURE: 2207800 -3.42116 -30.3069 110.967 -30.3058 0.26184 -55.7753 110.967 -55.7757 -198.233 GPRESSURE: 2207800 72.5665 125.943 101.381 31.476 -42.2106 -14.4886 124.246 -29.5869 -144.769 PRESSAVG: 2207800 -6.2351 1.42929 -3.49864 1.4293 -14.2465 -45.3906 -3.49868 -45.3906 -5.80696 GPRESSAVG: 2207800 -6.06653 -0.107736 -1.15544 2.63023 -15.0662 -45.7393 -2.97533 -46.8794 -5.64739 TIMING: 2207800 CPU: 7051.7, 0.00312902/step Wall: 7051.7, 0.00312902/step, 2.4269 hours remaining, 236.070312 MB of memory in use. ENERGY: 2207800 3877.8132 20227.4031 14474.7725 238.9729 -203148.9861 2539.8710 0.0000 0.0000 52019.0330 -109771.1204 298.9541 -161790.1534 -109400.4289 298.5030 -67.1309 -38.1376 759969.6336 -8.7629 -8.9267 PRESSURE: 2208000 52.5937 85.3987 -91.8761 85.3983 212.649 151.665 -91.877 151.666 53.1719 GPRESSURE: 2208000 -16.4553 139.962 -112.31 80.9801 329.818 121.213 -179.724 176.674 83.7749 PRESSAVG: 2208000 -5.1894 -37.4623 7.41977 -37.4624 -10.1578 36.4839 7.41975 36.4839 5.97717 GPRESSAVG: 2208000 -6.47033 -37.55 5.79762 -37.8388 -9.92641 35.7822 7.56829 38.5165 6.14812 TIMING: 2208000 CPU: 7052.33, 0.00314622/step Wall: 7052.33, 0.00314622/step, 2.44007 hours remaining, 236.070312 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: 2208000 3960.8019 20433.1902 14424.8080 254.3893 -202892.8077 2365.9669 0.0000 0.0000 52075.7977 -109377.8536 299.2803 -161453.6512 -109008.5844 298.9734 106.1381 132.3790 762529.7505 -3.1234 -3.4162 PRESSURE: 2208200 317.376 -5.34657 -292.682 -5.34621 101.67 23.9377 -292.682 23.9377 21.0861 GPRESSURE: 2208200 305.979 112.552 -255.916 -2.21161 167.617 51.319 -198.143 -63.4433 64.7382 PRESSAVG: 2208200 45.2887 16.0422 -61.0803 16.0421 -25.6837 0.129313 -61.0802 0.129314 5.50178 GPRESSAVG: 2208200 44.824 16.1239 -59.8248 15.8942 -25.2283 0.881197 -60.194 -2.19557 5.22941 TIMING: 2208200 CPU: 7052.96, 0.00313919/step Wall: 7052.96, 0.00313919/step, 2.43444 hours remaining, 236.070312 MB of memory in use. ENERGY: 2208200 3934.9205 20395.1351 14510.3888 239.2821 -203212.7216 2574.7254 0.0000 0.0000 52201.6712 -109356.5985 300.0037 -161558.2696 -109003.4349 299.5628 146.7107 179.4446 760629.5849 8.3689 8.2750 LDB: ============= START OF LOAD BALANCING ============== 7065.38 LDB: ============== END OF LOAD BALANCING =============== 7065.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7065.38 LDB: ============= START OF LOAD BALANCING ============== 7065.7 LDB: Largest compute 7075 load 0.033978 is 17.4% of average load 0.195438 LDB: Average compute 0.004395 is 2.2% of average load 0.195438 LDB: TIME 7065.7 LOAD: AVG 0.195438 MAX 0.21694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.129 MB LDB: TIME 7065.7 LOAD: AVG 0.195438 MAX 0.21694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: TIME 7065.7 LOAD: AVG 0.195438 MAX 0.21694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: ============== END OF LOAD BALANCING =============== 7065.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7065.71 PRESSURE: 2208400 -187.341 -99.6702 369.985 -99.6705 -182.251 -152.11 369.984 -152.11 -481.213 GPRESSURE: 2208400 -162.548 -167.806 369.912 -57.2147 -177.1 -148.685 282.978 -162.562 -427.433 PRESSAVG: 2208400 86.7821 -48.597 -19.6005 -48.597 -101.741 13.2761 -19.6005 13.2762 -34.2542 GPRESSAVG: 2208400 87.3845 -48.5528 -19.3654 -47.1046 -102.148 12.8621 -23.7234 14.3868 -34.591 TIMING: 2208400 CPU: 7053.6, 0.00320176/step Wall: 7053.6, 0.00320176/step, 2.48279 hours remaining, 233.804688 MB of memory in use. ENERGY: 2208400 3955.5815 20567.6341 14516.6364 241.1986 -202709.2336 2042.2432 0.0000 0.0000 51842.3925 -109543.5473 297.9389 -161385.9397 -109179.7387 299.2537 -283.6018 -255.6937 761800.8995 -16.4042 -16.4516 PRESSURE: 2208600 -57.6405 83.0633 -42.6963 83.0632 -364.25 98.3142 -42.696 98.3142 -100.337 GPRESSURE: 2208600 -39.9064 17.9909 -26.5285 81.1677 -243.499 133.013 58.401 -18.1907 -152.025 PRESSAVG: 2208600 41.3917 -14.7768 -1.83003 -14.7768 -51.119 -27.8469 -1.83003 -27.8469 -8.78668 GPRESSAVG: 2208600 41.9533 -12.7467 -1.54177 -17.3585 -50.9463 -26.4386 -0.793899 -28.4196 -9.56952 TIMING: 2208600 CPU: 7054.23, 0.0031399/step Wall: 7054.23, 0.0031399/step, 2.43464 hours remaining, 233.804688 MB of memory in use. ENERGY: 2208600 3873.1037 20464.6438 14515.0520 246.0034 -202723.2216 2303.4628 0.0000 0.0000 51994.1006 -109326.8554 298.8108 -161320.9560 -108959.6915 299.0490 -174.0759 -145.1435 761087.1658 -6.1713 -6.1875 PRESSURE: 2208800 249.477 31.1262 -123.596 31.1255 426.255 6.807 -123.596 6.80706 64.5212 GPRESSURE: 2208800 248.214 90.0255 -117.07 55.4902 440.524 36.4216 -105.663 39.5413 138.586 PRESSAVG: 2208800 -11.6242 4.93947 -26.0317 4.93943 17.4441 -23.5806 -26.0318 -23.5806 13.2624 GPRESSAVG: 2208800 -12.5586 3.28705 -27.4501 7.38289 17.3081 -24.7921 -22.3612 -22.4252 14.3599 TIMING: 2208800 CPU: 7054.86, 0.00313393/step Wall: 7054.86, 0.00313393/step, 2.42984 hours remaining, 233.804688 MB of memory in use. ENERGY: 2208800 3931.3330 20480.3602 14514.2386 233.9749 -203172.0713 2487.1451 0.0000 0.0000 52272.9118 -109252.1077 300.4131 -161525.0195 -108892.6895 299.7931 246.7511 275.7746 760145.5298 6.3608 6.3698 PRESSURE: 2209000 -242.066 -65.623 -292.258 -65.6236 -435.609 -53.069 -292.259 -53.068 267.495 GPRESSURE: 2209000 -185.223 -96.8049 -293.769 -105.986 -355.026 -128.781 -255.203 -91.2059 217.554 PRESSAVG: 2209000 53.9545 7.91343 -42.9031 7.91339 -58.0945 -34.3933 -42.9032 -34.3932 4.74672 GPRESSAVG: 2209000 53.205 8.43979 -42.4217 8.01095 -57.8352 -35.126 -43.1737 -33.1779 5.10709 TIMING: 2209000 CPU: 7055.48, 0.00312885/step Wall: 7055.48, 0.00312885/step, 2.42573 hours remaining, 233.804688 MB of memory in use. ENERGY: 2209000 3997.2007 20323.1878 14430.7520 244.9538 -203013.6514 2529.0490 0.0000 0.0000 52118.4599 -109370.0481 299.5255 -161488.5080 -109004.3323 298.9312 -136.7265 -107.5647 761762.9941 0.2022 0.1590 PRESSURE: 2209200 -202.949 -99.9254 123.21 -99.9255 7.99941 -26.0858 123.211 -26.0852 526.257 GPRESSURE: 2209200 -198.518 -31.6528 127.883 -140.263 132.003 -40.7731 104.56 -30.8236 477.86 PRESSAVG: 2209200 25.1189 -25.1644 -76.1068 -25.1644 -16.0544 -28.8147 -76.1068 -28.8147 -8.9087 GPRESSAVG: 2209200 25.9838 -26.7519 -75.6719 -24.9891 -16.3703 -27.2608 -79.4758 -31.3674 -9.26292 TIMING: 2209200 CPU: 7056.11, 0.00312434/step Wall: 7056.11, 0.00312434/step, 2.42206 hours remaining, 233.804688 MB of memory in use. ENERGY: 2209200 3934.0411 20419.4344 14516.4331 240.9047 -202817.4907 2411.8417 0.0000 0.0000 52085.8018 -109209.0338 299.3378 -161294.8356 -108861.7024 299.3637 110.4358 137.1147 760224.9756 0.0519 0.1168 PRESSURE: 2209400 179.076 -45.2186 82.2529 -45.2188 89.8244 -246.835 82.2526 -246.836 -408.536 GPRESSURE: 2209400 209.977 -123.985 61.0277 38.4894 92.163 -162.308 115.736 -256.199 -357.707 PRESSAVG: 2209400 -21.5696 -22.7058 48.4667 -22.7058 -1.22044 -55.5112 48.4667 -55.5112 -13.9885 GPRESSAVG: 2209400 -20.3821 -24.5925 49.2242 -23.2872 -1.67894 -56.5345 50.0545 -52.0704 -14.5035 TIMING: 2209400 CPU: 7056.73, 0.00312426/step Wall: 7056.73, 0.00312426/step, 2.42182 hours remaining, 233.804688 MB of memory in use. ENERGY: 2209400 3974.5279 20402.6987 14459.8321 263.0461 -202962.3929 2310.7774 0.0000 0.0000 52386.8328 -109164.6779 301.0678 -161551.5108 -108797.8121 299.8415 -46.5450 -18.5221 760763.1370 -12.2595 -12.1882 PRESSURE: 2209600 250.179 -48.8205 -214.797 -48.8205 169.793 -86.2141 -214.798 -86.2131 45.8412 GPRESSURE: 2209600 205.616 -48.9222 -246.189 12.4349 287.61 -39.7126 -167.759 0.545451 34.821 PRESSAVG: 2209600 21.1939 -15.0399 3.79508 -15.0399 -11.0388 -29.2741 3.79509 -29.2742 15.6194 GPRESSAVG: 2209600 19.775 -12.9898 2.60113 -12.6897 -9.31862 -27.8282 4.23346 -33.6455 15.135 TIMING: 2209600 CPU: 7057.36, 0.00315179/step Wall: 7057.36, 0.00315178/step, 2.44298 hours remaining, 233.804688 MB of memory in use. ENERGY: 2209600 3969.0617 20589.9170 14516.1653 246.8258 -203384.7181 2699.3236 0.0000 0.0000 52062.4956 -109300.9290 299.2039 -161363.4246 -108948.4649 300.0251 155.2709 176.0156 759437.2653 8.5915 8.5304 PRESSURE: 2209800 13.5746 184.966 -59.1992 184.966 113.772 -48.0091 -59.1991 -48.0089 295.058 GPRESSURE: 2209800 46.0577 147.235 -20.5075 210.613 152.065 -76.302 -101.792 -51.1671 311.48 PRESSAVG: 2209800 14.7075 -17.1844 4.53399 -17.1845 -41.1574 -13.5713 4.53407 -13.5712 -28.3251 GPRESSAVG: 2209800 14.3183 -16.4748 5.97709 -19.7898 -41.9926 -15.7156 3.49524 -11.6587 -26.8965 TIMING: 2209800 CPU: 7057.99, 0.00315295/step Wall: 7057.99, 0.00315295/step, 2.44371 hours remaining, 233.804688 MB of memory in use. ENERGY: 2209800 3947.0135 20603.3173 14355.0548 251.8156 -203118.7507 2488.6098 0.0000 0.0000 52190.8854 -109282.0542 299.9417 -161472.9396 -108924.4084 299.6782 140.8016 169.8676 761852.2581 -18.2583 -18.1903 PRESSURE: 2210000 -92.5162 -114.705 219.03 -114.706 -65.8245 -43.6953 219.03 -43.6964 -32.6983 GPRESSURE: 2210000 -35.1004 -111.325 117.319 -135.141 71.1953 -127.583 182.573 115.626 -141.866 PRESSAVG: 2210000 -66.3052 -17.5079 -28.7287 -17.5079 53.9678 -63.6231 -28.7287 -63.623 12.1664 GPRESSAVG: 2210000 -66.1481 -19.0201 -29.9127 -15.7215 54.307 -62.707 -29.2752 -63.3317 11.77 TIMING: 2210000 CPU: 7058.62, 0.00315127/step Wall: 7058.62, 0.00315127/step, 2.44224 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2210000 3997.6219 20537.5377 14487.3528 231.6456 -202903.3887 2460.7527 0.0000 0.0000 51948.4977 -109239.9803 298.5487 -161188.4780 -108878.4581 299.7314 -63.6797 -35.2569 762091.8533 -0.0570 -0.0237 PRESSURE: 2210200 -193.233 3.32248 123.425 3.32287 -36.7639 -95.3975 123.426 -95.3974 -206.426 GPRESSURE: 2210200 -156.857 -80.871 188.004 -99.6375 -103.943 -32.7507 96.7024 -56.2634 -91.0369 PRESSAVG: 2210200 10.0594 -40.4185 -24.8008 -40.4185 1.81375 -29.7756 -24.8008 -29.7756 -13.549 GPRESSAVG: 2210200 9.74971 -38.5909 -24.3256 -43.8879 2.28716 -29.3515 -24.816 -29.6268 -13.6759 TIMING: 2210200 CPU: 7059.25, 0.00312831/step Wall: 7059.25, 0.00312831/step, 2.42427 hours remaining, 233.804688 MB of memory in use. ENERGY: 2210200 3949.5233 20471.3687 14405.1994 260.2838 -203042.9020 2401.5137 0.0000 0.0000 52049.6584 -109505.3547 299.1301 -161555.0131 -109141.0332 298.8915 -145.4743 -117.2790 760443.0494 -0.5586 -0.5464 PRESSURE: 2210400 -73.5864 154.381 -44.3262 154.38 -260.54 -105.364 -44.3267 -105.365 2.79276 GPRESSURE: 2210400 -104.071 182.442 -11.0467 111.557 -143.286 39.5507 -98.7685 -66.808 2.34037 PRESSAVG: 2210400 10.2785 9.66074 29.7096 9.66076 -5.49999 -10.2785 29.7095 -10.2786 5.10859 GPRESSAVG: 2210400 11.0567 10.2547 28.6319 10.5494 -5.65071 -11.0514 29.607 -9.86049 4.1689 TIMING: 2210400 CPU: 7059.88, 0.00313159/step Wall: 7059.88, 0.00313159/step, 2.42663 hours remaining, 233.804688 MB of memory in use. ENERGY: 2210400 3983.0287 20413.8451 14445.6387 239.2413 -203306.0576 2376.0938 0.0000 0.0000 52330.9822 -109517.2278 300.7469 -161848.2100 -109148.9551 299.2421 -110.4447 -81.6722 760990.1750 3.2957 3.1916 PRESSURE: 2210600 -327.848 23.8937 -63.9167 23.894 239.889 -130.624 -63.9162 -130.625 18.3273 GPRESSURE: 2210600 -212.773 -4.40506 12.5863 -82.6997 230.686 -159.765 -101.117 -209.773 0.11532 PRESSAVG: 2210600 5.48641 15.7414 -17.605 15.7414 -1.82506 -10.8513 -17.6051 -10.8512 7.2752 GPRESSAVG: 2210600 6.00791 12.5612 -17.5545 15.4159 -2.42497 -10.027 -14.1139 -11.7103 7.57712 TIMING: 2210600 CPU: 7060.5, 0.00314052/step Wall: 7060.5, 0.00314052/step, 2.43338 hours remaining, 233.804688 MB of memory in use. ENERGY: 2210600 3940.7127 20524.9039 14413.8163 248.3419 -203287.5425 2361.7548 0.0000 0.0000 52191.9373 -109606.0756 299.9478 -161798.0129 -109238.4491 299.2311 -23.2108 6.0095 760909.0142 3.6455 3.7200 PRESSURE: 2210800 -125.908 244.787 -29.8863 244.788 -202.824 79.7028 -29.8864 79.7037 -321.61 GPRESSURE: 2210800 -118.076 166.346 -34.7796 210.301 -94.0143 23.2681 7.2156 98.971 -346.613 PRESSAVG: 2210800 -39.7453 8.8577 16.2718 8.85778 25.3909 -0.883711 16.2718 -0.883593 -34.4908 GPRESSAVG: 2210800 -40.45 9.13001 16.9784 7.18105 24.7926 -1.84024 14.7136 -1.95636 -33.592 TIMING: 2210800 CPU: 7061.13, 0.0031393/step Wall: 7061.13, 0.00313931/step, 2.43226 hours remaining, 233.804688 MB of memory in use. ENERGY: 2210800 4022.0423 20445.6624 14423.0007 239.9090 -203247.0951 2346.8791 0.0000 0.0000 51760.8581 -110008.7435 297.4704 -161769.6016 -109648.5144 298.7891 -216.7806 -186.2345 760458.0706 -16.2817 -16.4165 PRESSURE: 2211000 -136.785 -138.123 209.221 -138.122 -120.955 99.2332 209.222 99.2333 -312.83 GPRESSURE: 2211000 -193.906 -144.602 98.9093 -113.233 23.9937 161.78 131.442 177.815 -311.403 PRESSAVG: 2211000 5.3654 -13.0424 25.4373 -13.0424 -22.2499 16.1899 25.4374 16.1899 -16.5169 GPRESSAVG: 2211000 4.87179 -12.7257 26.3377 -10.9641 -22.0088 15.4772 26.1971 16.4808 -15.8394 TIMING: 2211000 CPU: 7061.76, 0.0031464/step Wall: 7061.76, 0.0031464/step, 2.43759 hours remaining, 233.804688 MB of memory in use. ENERGY: 2211000 4089.1509 20431.4176 14508.8767 246.8061 -203527.7966 2320.0683 0.0000 0.0000 52111.6266 -109819.8504 299.4862 -161931.4771 -109459.9059 298.2951 -190.1897 -160.4384 760468.8762 -11.1338 -10.9921 PRESSURE: 2211200 -4.83011 -113.218 45.0726 -113.218 -200.533 0.139706 45.0729 0.140111 260.417 GPRESSURE: 2211200 166.664 -93.2486 110.164 -78.175 -275.179 -83.3435 2.25885 36.979 245.085 PRESSAVG: 2211200 48.5332 -34.4641 31.6899 -34.4641 -16.7637 21.6988 31.69 21.6988 7.59306 GPRESSAVG: 2211200 48.7332 -36.1661 30.5006 -33.2087 -15.9562 22.2561 28.826 21.0251 7.31242 TIMING: 2211200 CPU: 7062.39, 0.00316206/step Wall: 7062.39, 0.00316206/step, 2.44954 hours remaining, 233.804688 MB of memory in use. ENERGY: 2211200 3992.1543 20645.6647 14445.1787 245.4365 -203260.1812 2159.0136 0.0000 0.0000 51976.1124 -109796.6209 298.7074 -161772.7334 -109440.3269 298.8939 18.3515 45.5234 761477.7947 13.1209 13.3631 PRESSURE: 2211400 -43.6806 -135.154 -167.315 -135.154 18.6695 -167.441 -167.316 -167.44 231.723 GPRESSURE: 2211400 -60.9543 -107.365 -237.008 -284.833 129.007 -47.8001 -77.2019 -268.21 225.544 PRESSAVG: 2211400 11.9124 -82.0791 -47.6143 -82.0791 -13.7966 -22.4634 -47.6144 -22.4634 1.91127 GPRESSAVG: 2211400 11.9235 -82.3734 -47.3286 -83.0331 -15.1833 -22.628 -48.1867 -20.8419 2.84321 TIMING: 2211400 CPU: 7063.02, 0.00315626/step Wall: 7063.02, 0.00315626/step, 2.44488 hours remaining, 233.804688 MB of memory in use. ENERGY: 2211400 3891.5962 20455.3851 14469.9035 255.8001 -203795.2265 2811.1011 0.0000 0.0000 51934.8058 -109976.6347 298.4700 -161911.4405 -109598.9327 298.3871 68.9040 97.8656 758694.6610 0.0090 -0.1389 PRESSURE: 2211600 391.286 52.0163 -455.377 52.0157 -120.36 101.47 -455.377 101.471 140.342 GPRESSURE: 2211600 325.972 173.192 -504.348 -42.0886 -25.4445 1.94661 -374.364 -17.8853 196.916 PRESSAVG: 2211600 26.0596 -32.5089 -58.1317 -32.5089 24.3306 24.0792 -58.1316 24.0793 -25.3098 GPRESSAVG: 2211600 25.6788 -30.0381 -58.3814 -32.9391 25.2558 25.2767 -55.7761 21.7296 -26.5646 TIMING: 2211600 CPU: 7063.66, 0.00316645/step Wall: 7063.66, 0.00316645/step, 2.45259 hours remaining, 233.804688 MB of memory in use. ENERGY: 2211600 3980.3611 20341.4154 14438.4001 238.8009 -203386.4887 2584.6383 0.0000 0.0000 51716.0536 -110086.8193 297.2129 -161802.8730 -109723.3765 298.0553 137.0892 165.8143 759154.1371 8.3601 8.1234 PRESSURE: 2211800 -42.2458 -174.825 22.2109 -174.826 -160.005 203.422 22.2098 203.422 -384.79 GPRESSURE: 2211800 -26.7072 -78.2157 67.4606 -94.7547 -103.956 171.442 111.977 176.729 -377.492 PRESSAVG: 2211800 48.7378 -24.5481 -53.0489 -24.5481 -16.2752 64.3077 -53.0488 64.3077 17.5638 GPRESSAVG: 2211800 48.7241 -24.9717 -53.5431 -23.6229 -15.3988 61.2655 -51.602 66.7343 16.5204 TIMING: 2211800 CPU: 7064.29, 0.00315953/step Wall: 7064.29, 0.00315953/step, 2.44705 hours remaining, 233.804688 MB of memory in use. ENERGY: 2211800 3965.9308 20392.9568 14451.8030 239.8683 -203435.5574 2373.5810 0.0000 0.0000 52128.4413 -109882.9763 299.5829 -162011.4176 -109519.9051 298.0226 -195.6801 -169.3853 760078.6626 16.6755 16.6153 PRESSURE: 2212000 25.2715 -242.043 14.5538 -242.043 -131.912 138.938 14.5546 138.937 44.7091 GPRESSURE: 2212000 145.352 -164.782 -96.3987 -191.92 -88.6905 101.451 -4.26311 169.259 -27.2128 PRESSAVG: 2212000 16.6834 -1.20781 -31.5469 -1.20778 -23.4512 -40.3282 -31.5469 -40.3282 2.58587 GPRESSAVG: 2212000 17.2453 -0.969302 -32.1455 -2.76147 -24.4376 -40.3219 -33.3513 -41.365 3.31909 TIMING: 2212000 CPU: 7064.92, 0.00316256/step Wall: 7064.92, 0.00316256/step, 2.44923 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2212000 3887.8892 20479.8128 14416.5223 252.0553 -203056.2632 2239.0962 0.0000 0.0000 52047.0350 -109733.8524 299.1150 -161780.8874 -109376.4571 298.6965 -20.6438 9.8163 758762.0368 -1.3940 -1.2911 PRESSURE: 2212200 -143.361 17.9918 -27.7966 17.9922 165.981 -190.562 -27.7957 -190.561 23.6745 GPRESSURE: 2212200 -124.584 65.3962 -98.145 53.4748 157.41 -178.226 26.7059 -167.015 109.698 PRESSAVG: 2212200 13.6631 47.5141 -0.904876 47.5142 3.98037 23.5022 -0.904858 23.5021 8.69684 GPRESSAVG: 2212200 13.2875 47.6807 0.327445 48.8355 4.24504 25.6822 -0.229409 22.711 8.55947 TIMING: 2212200 CPU: 7065.55, 0.00315448/step Wall: 7065.55, 0.00315448/step, 2.4428 hours remaining, 233.804688 MB of memory in use. ENERGY: 2212200 4011.8672 20554.9706 14507.6817 238.7595 -203525.8234 2452.1858 0.0000 0.0000 52247.6638 -109512.6947 300.2680 -161760.3585 -109153.2690 298.9219 15.4317 47.5078 759010.7878 8.7801 8.6973 LDB: ============= START OF LOAD BALANCING ============== 7077.98 LDB: ============== END OF LOAD BALANCING =============== 7077.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7077.98 LDB: ============= START OF LOAD BALANCING ============== 7078.29 LDB: Largest compute 7075 load 0.035752 is 18.3% of average load 0.195378 LDB: Average compute 0.004398 is 2.3% of average load 0.195378 LDB: TIME 7078.3 LOAD: AVG 0.195378 MAX 0.218419 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 7078.3 LOAD: AVG 0.195378 MAX 0.218419 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: TIME 7078.3 LOAD: AVG 0.195378 MAX 0.217498 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: ============== END OF LOAD BALANCING =============== 7078.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7078.3 PRESSURE: 2212400 542.851 -44.4728 -126.192 -44.4725 49.4205 -104.176 -126.192 -104.176 70.3154 GPRESSURE: 2212400 529.78 -31.6609 -54.5886 -30.4804 110.018 -137.194 -126.28 -5.2918 88.9124 PRESSAVG: 2212400 19.4601 31.3356 -21.1904 31.3356 -25.1059 -7.42943 -21.1903 -7.4294 5.33252 GPRESSAVG: 2212400 19.3832 32.3725 -20.9069 30.1328 -25.9487 -7.89994 -21.6967 -4.39681 5.43084 TIMING: 2212400 CPU: 7066.2, 0.00322999/step Wall: 7066.2, 0.00322999/step, 2.50109 hours remaining, 234.566406 MB of memory in use. ENERGY: 2212400 4018.3202 20526.7866 14499.0230 241.9180 -203174.8821 2554.3839 0.0000 0.0000 52150.3155 -109184.1348 299.7086 -161334.4503 -108830.0211 299.8899 220.8622 242.9036 759133.9770 -0.1044 -0.3782 PRESSURE: 2212600 -127.279 114.624 -54.4038 114.625 -251.83 319.054 -54.4042 319.054 -119.446 GPRESSURE: 2212600 -41.3097 98.7454 -65.7062 52.0896 -257.871 351.367 47.1929 151.527 -122.468 PRESSAVG: 2212600 15.0659 14.8093 13.5555 14.8092 -8.34288 -27.8026 13.5554 -27.8026 0.504244 GPRESSAVG: 2212600 15.1721 12.2156 13.7572 15.3756 -7.55341 -28.959 14.8354 -29.2352 0.134783 TIMING: 2212600 CPU: 7066.83, 0.00314843/step Wall: 7066.83, 0.00314843/step, 2.43776 hours remaining, 234.765625 MB of memory in use. ENERGY: 2212600 4045.2865 20592.9959 14514.0936 243.2336 -202915.8501 2183.6774 0.0000 0.0000 52132.6618 -109203.9013 299.6071 -161336.5631 -108830.2987 300.2599 -166.1852 -140.5497 759172.2615 2.4091 2.5845 PRESSURE: 2212800 74.5457 -109.281 148.132 -109.281 -112.644 -184.598 148.132 -184.598 -115.788 GPRESSURE: 2212800 43.0553 -176.49 129.184 -160.787 -43.754 -127.35 9.3924 -213.545 -63.1912 PRESSAVG: 2212800 60.8877 -39.7239 5.57155 -39.7239 -26.6094 69.7745 5.57152 69.7746 -25.7244 GPRESSAVG: 2212800 60.0399 -37.724 4.76004 -41.0609 -26.857 71.0339 3.90473 69.4853 -24.5324 TIMING: 2212800 CPU: 7067.46, 0.00314505/step Wall: 7067.46, 0.00314505/step, 2.43497 hours remaining, 234.765625 MB of memory in use. ENERGY: 2212800 4068.8931 20628.8992 14448.2044 263.8659 -203293.3732 2502.3629 0.0000 0.0000 52121.8499 -109259.2977 299.5450 -161381.1477 -108898.9549 300.2349 -51.2955 -21.2966 760581.4594 2.8513 2.8835 PRESSURE: 2213000 -276.994 -88.3095 49.275 -88.3096 205.893 -112.983 49.2748 -112.984 -158.857 GPRESSURE: 2213000 -154.328 -56.5713 98.4701 -47.444 98.3018 -235.236 57.3919 -34.258 -71.425 PRESSAVG: 2213000 -18.195 -64.7611 -14.0241 -64.761 0.27033 47.7834 -14.0241 47.7835 -13.3282 GPRESSAVG: 2213000 -18.1423 -65.335 -13.8994 -63.465 0.175173 46.9597 -12.8399 48.1165 -13.0618 TIMING: 2213000 CPU: 7068.09, 0.00315282/step Wall: 7068.09, 0.00315282/step, 2.44081 hours remaining, 234.906250 MB of memory in use. ENERGY: 2213000 3975.9974 20546.9451 14442.9633 254.4781 -203432.8302 2288.7650 0.0000 0.0000 52418.1159 -109505.5653 301.2476 -161923.6812 -109129.1202 300.0401 -76.6525 -42.4836 760794.9319 -10.4176 -10.3430 PRESSURE: 2213200 13.6713 -100.893 -115.003 -100.893 -410.178 16.6017 -115.004 16.6026 176.183 GPRESSURE: 2213200 1.27496 -31.6775 -144.34 -95.9528 -260.946 8.6025 -95.0845 77.7833 113.204 PRESSAVG: 2213200 34.253 14.8992 -46.1547 14.8993 -23.311 -9.38106 -46.1547 -9.38112 -14.5915 GPRESSAVG: 2213200 35.1029 17.4754 -44.8702 13.5855 -23.2067 -8.98367 -47.3421 -10.1478 -16.1897 TIMING: 2213200 CPU: 7068.72, 0.00314466/step Wall: 7068.72, 0.00314465/step, 2.43431 hours remaining, 234.906250 MB of memory in use. ENERGY: 2213200 4036.4504 20756.7471 14439.9541 218.6236 -203394.1723 2447.6416 0.0000 0.0000 52023.2505 -109471.5050 298.9783 -161494.7555 -109117.0249 299.9476 -73.4413 -48.8223 759349.5331 -1.2165 -1.4312 PRESSURE: 2213400 100.474 130.746 156.297 130.746 -237.232 -118.979 156.298 -118.98 -242.364 GPRESSURE: 2213400 192.413 83.3563 112.671 142.748 -301.755 -199.97 198.731 -122.575 -190.019 PRESSAVG: 2213400 19.1566 17.3862 -25.8567 17.3862 -2.91494 -4.80536 -25.8567 -4.80537 22.349 GPRESSAVG: 2213400 18.8353 15.1315 -27.4315 16.6992 -2.98402 -3.86945 -24.4821 -4.01431 23.0226 TIMING: 2213400 CPU: 7069.35, 0.003156/step Wall: 7069.35, 0.003156/step, 2.44292 hours remaining, 234.906250 MB of memory in use. ENERGY: 2213400 3975.5955 20540.6596 14527.1441 235.7750 -203337.9156 2600.0530 0.0000 0.0000 51969.9998 -109488.6886 298.6723 -161458.6885 -109119.7827 299.8474 -126.3739 -99.7868 762862.8004 12.8636 12.9579 PRESSURE: 2213600 -232.332 -20.5969 17.3306 -20.5966 -113.32 167.746 17.3292 167.746 -62.7214 GPRESSURE: 2213600 -161.195 1.96649 -19.6499 -63.6546 -50.59 97.6877 108.476 139.051 -101.449 PRESSAVG: 2213600 -4.93048 8.84468 -9.82963 8.84468 20.9992 34.8205 -9.82964 34.8204 15.5808 GPRESSAVG: 2213600 -3.5054 8.62061 -10.0626 9.09669 20.9203 33.6764 -9.22091 33.492 14.2535 TIMING: 2213600 CPU: 7069.98, 0.00315247/step Wall: 7069.98, 0.00315247/step, 2.44001 hours remaining, 234.906250 MB of memory in use. ENERGY: 2213600 4047.5015 20549.6798 14494.7699 236.5357 -203821.2614 2705.4095 0.0000 0.0000 52183.5885 -109603.7765 299.8998 -161787.3650 -109236.6123 299.3927 -136.1244 -104.4115 760317.6474 10.5498 10.5561 PRESSURE: 2213800 -52.5006 3.51323 -32.0076 3.51261 -426.274 202.69 -32.0081 202.69 -178.083 GPRESSURE: 2213800 -77.1595 20.7538 -138.98 65.1584 -411.764 234.571 -37.0403 251.582 -86.3702 PRESSAVG: 2213800 0.313109 0.375279 31.0391 0.375236 -1.6366 -25.465 31.039 -25.465 -11.4231 GPRESSAVG: 2213800 -1.21986 -0.734542 31.5188 0.19755 -1.08056 -24.4678 28.5084 -24.2781 -10.9781 TIMING: 2213800 CPU: 7070.61, 0.00315392/step Wall: 7070.61, 0.00315392/step, 2.44096 hours remaining, 235.109375 MB of memory in use. ENERGY: 2213800 4027.7583 20578.4908 14478.6130 251.4723 -203411.5142 2460.7654 0.0000 0.0000 51856.9979 -109757.4166 298.0229 -161614.4145 -109399.7980 299.1563 -218.9527 -191.7647 760056.0739 -4.2489 -4.4262 PRESSURE: 2214000 -119.667 10.3098 -107.854 10.3096 -19.7443 -170.314 -107.854 -170.314 123.334 GPRESSURE: 2214000 23.4604 -37.8418 -70.2112 -52.3713 -81.2503 -203.652 -251.872 -206.045 128.371 PRESSAVG: 2214000 42.129 -37.9533 -16.1206 -37.9532 -56.0002 -16.8025 -16.1206 -16.8025 -3.86102 GPRESSAVG: 2214000 42.3307 -37.0065 -15.8448 -38.465 -56.5252 -16.5809 -12.506 -17.6957 -3.62467 TIMING: 2214000 CPU: 7071.24, 0.00317053/step Wall: 7071.24, 0.00317053/step, 2.45364 hours remaining, 235.179688 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: 2214000 4019.0088 20553.0504 14478.1487 278.8859 -203341.3068 2289.2735 0.0000 0.0000 51855.1794 -109867.7602 298.0124 -161722.9396 -109514.8688 298.7047 -5.3590 23.5271 760737.1490 -5.9107 -5.9397 PRESSURE: 2214200 -171.414 275.932 52.6764 275.932 -177.99 87.6153 52.6761 87.6152 -458.653 GPRESSURE: 2214200 -79.589 212.784 102.871 228.029 -249.146 15.4018 -40.5814 88.4356 -384.503 PRESSAVG: 2214200 63.7956 -34.1227 37.1997 -34.1227 -72.5704 18.971 37.1997 18.9711 8.31463 GPRESSAVG: 2214200 64.1366 -33.0662 36.0782 -33.9757 -73.0323 18.9539 37.9745 19.7345 8.56131 TIMING: 2214200 CPU: 7071.87, 0.00315366/step Wall: 7071.87, 0.00315366/step, 2.44041 hours remaining, 235.179688 MB of memory in use. ENERGY: 2214200 4028.9539 20666.3223 14436.9329 242.1974 -203702.6770 2521.2536 0.0000 0.0000 52005.7876 -109801.2293 298.8780 -161807.0169 -109435.8939 298.8192 -269.3526 -237.7459 761131.5536 -0.1534 -0.1114 PRESSURE: 2214400 58.1355 59.1231 -17.2397 59.1233 101.22 43.1788 -17.2398 43.1801 395.909 GPRESSURE: 2214400 111.867 67.2646 -61.2297 31.6724 74.9983 14.1096 112.188 55.5255 467.174 PRESSAVG: 2214400 43.2903 -29.0277 -1.61986 -29.0277 -41.9322 48.8984 -1.61994 48.8986 4.92429 GPRESSAVG: 2214400 43.4741 -30.7202 -0.707328 -27.15 -41.8507 50.0258 -5.08661 48.0203 4.75814 TIMING: 2214400 CPU: 7072.51, 0.00317513/step Wall: 7072.51, 0.00317513/step, 2.45685 hours remaining, 235.179688 MB of memory in use. ENERGY: 2214400 3999.0883 20566.3057 14449.2234 244.2427 -203507.3669 2563.5764 0.0000 0.0000 51779.7344 -109905.1959 297.5788 -161684.9304 -109545.5165 298.7976 185.0883 218.0130 758682.7728 2.0941 2.1272 PRESSURE: 2214600 -36.0775 -0.302722 59.6213 -0.303822 -243.764 140.124 59.621 140.123 288.248 GPRESSURE: 2214600 -2.10556 -1.65497 20.5832 -10.7979 -188.094 110.558 82.4987 206.405 288.464 PRESSAVG: 2214600 70.098 -13.0198 3.301 -13.0199 -62.6143 -6.03101 3.30103 -6.03101 34.9056 GPRESSAVG: 2214600 70.0076 -12.5169 2.38798 -14.458 -61.2378 -9.23675 5.23837 -3.83117 33.7453 TIMING: 2214600 CPU: 7073.14, 0.00314599/step Wall: 7073.14, 0.00314599/step, 2.43413 hours remaining, 235.195312 MB of memory in use. ENERGY: 2214600 3958.5388 20625.9559 14442.8906 247.8356 -203628.8792 2583.5777 0.0000 0.0000 51879.2990 -109890.7817 298.1510 -161770.0807 -109528.7800 298.3915 2.8021 32.7549 760378.3226 14.1298 14.1717 PRESSURE: 2214800 -90.4842 -24.3029 -28.8524 -24.3029 -110.526 -45.7647 -28.8522 -45.7652 171.486 GPRESSURE: 2214800 -24.1736 -17.6099 -3.37181 40.194 -47.5045 -119.057 -23.5131 -72.8009 120.305 PRESSAVG: 2214800 72.6417 24.4396 48.9762 24.4396 -73.2692 -27.3676 48.9762 -27.3675 -27.5218 GPRESSAVG: 2214800 72.2012 24.2448 49.9688 25.4329 -73.7419 -25.7089 47.3506 -29.4739 -26.7875 TIMING: 2214800 CPU: 7073.76, 0.00312225/step Wall: 7073.76, 0.00312225/step, 2.41558 hours remaining, 235.195312 MB of memory in use. ENERGY: 2214800 3978.5092 20545.6831 14485.3199 249.4615 -203919.6326 2778.8177 0.0000 0.0000 52202.2433 -109679.5979 300.0070 -161881.8413 -109310.9918 298.9167 -9.8413 16.2089 757223.8301 -9.3831 -9.4428 PRESSURE: 2215000 147.53 -81.779 -151.204 -81.7773 -93.0819 -194.794 -151.205 -194.793 199.178 GPRESSURE: 2215000 222.615 -16.261 -125.9 -158.889 -66.2888 -222.479 -190.457 -208.715 183.12 PRESSAVG: 2215000 23.3682 -0.849594 -30.3521 -0.849601 -86.0322 -42.3524 -30.3522 -42.3524 -14.605 GPRESSAVG: 2215000 23.573 -0.379548 -31.013 -2.0686 -87.191 -42.1891 -30.2736 -41.0994 -13.7483 TIMING: 2215000 CPU: 7074.39, 0.00312737/step Wall: 7074.39, 0.00312737/step, 2.41937 hours remaining, 235.195312 MB of memory in use. ENERGY: 2215000 3977.0677 20597.8588 14448.7983 243.5230 -203534.7993 2666.2871 0.0000 0.0000 51966.2614 -109635.0029 298.6508 -161601.2643 -109278.1217 299.1476 84.5421 113.1487 760263.5264 -25.7563 -25.7888 PRESSURE: 2215200 250.466 -218.561 -25.8689 -218.562 -90.8179 44.4125 -25.8704 44.4116 -18.2873 GPRESSURE: 2215200 264.258 -114.868 -7.30768 -210.533 26.7835 47.2631 -63.3875 149.52 -39.7996 PRESSAVG: 2215200 75.2806 -31.1431 -25.7072 -31.143 -59.0995 -32.9518 -25.7072 -32.9519 -16.4319 GPRESSAVG: 2215200 75.9372 -29.7151 -25.7665 -30.0231 -58.8287 -32.4005 -24.6026 -32.6409 -16.8123 TIMING: 2215200 CPU: 7075.02, 0.00315229/step Wall: 7075.02, 0.00315229/step, 2.43848 hours remaining, 235.195312 MB of memory in use. ENERGY: 2215200 3981.3671 20567.3508 14532.1960 251.3962 -203839.1018 2640.4291 0.0000 0.0000 51968.9956 -109897.3670 298.6665 -161866.3626 -109528.0499 298.8255 47.1201 83.7473 758521.9726 -0.0836 0.0987 PRESSURE: 2215400 88.0401 198.006 7.1417 198.006 96.191 113.257 7.14201 113.256 142.056 GPRESSURE: 2215400 138.904 176.832 8.15961 243.664 53.8712 109.38 30.761 72.0166 227.594 PRESSAVG: 2215400 87.2738 -27.4035 -28.9978 -27.4035 -109.727 -16.2879 -28.9977 -16.288 -9.6363 GPRESSAVG: 2215400 88.2862 -28.4359 -29.3543 -26.7095 -109.75 -16.1327 -29.9649 -18.8324 -10.4947 TIMING: 2215400 CPU: 7075.65, 0.00316644/step Wall: 7075.65, 0.00316644/step, 2.44924 hours remaining, 235.195312 MB of memory in use. ENERGY: 2215400 3964.8461 20615.3477 14501.1431 236.2308 -203857.8899 2869.6204 0.0000 0.0000 52027.4214 -109643.2802 299.0023 -161670.7017 -109285.5990 298.8964 108.7624 140.1231 759437.2893 -10.6964 -10.6527 PRESSURE: 2215600 429.38 -74.8784 -259.883 -74.8783 -54.0234 133.832 -259.883 133.833 -162.248 GPRESSURE: 2215600 422.162 -46.4587 -326.341 -162.777 29.8407 155.376 -188.572 40.2841 -172.285 PRESSAVG: 2215600 82.2449 8.10155 -17.4339 8.10146 -47.4586 -22.4112 -17.4339 -22.4112 9.58343 GPRESSAVG: 2215600 80.6366 7.90127 -17.9515 6.07736 -47.0021 -22.6166 -17.2606 -21.8691 10.3042 TIMING: 2215600 CPU: 7076.28, 0.00316026/step Wall: 7076.28, 0.00316025/step, 2.44428 hours remaining, 235.195312 MB of memory in use. ENERGY: 2215600 4085.8334 20459.4545 14414.1565 239.9442 -203683.7617 2887.5111 0.0000 0.0000 52013.2524 -109583.6095 298.9209 -161596.8619 -109218.3223 299.2410 71.0361 93.2392 759208.1666 14.7899 14.6462 PRESSURE: 2215800 -197.402 21.1109 83.1453 21.1114 -237.508 -58.6653 83.1446 -58.6653 -41.1049 GPRESSURE: 2215800 -128.29 -8.74359 64.5437 -25.9814 -202.768 -160.117 38.1077 -163.024 -63.392 PRESSAVG: 2215800 62.9207 -38.7394 51.3822 -38.7394 -108.837 32.7649 51.3821 32.7648 -26.3841 GPRESSAVG: 2215800 64.6271 -39.1063 50.9952 -38.7251 -108.662 31.5028 52.9667 33.6279 -27.9458 TIMING: 2215800 CPU: 7076.91, 0.0031478/step Wall: 7076.91, 0.0031478/step, 2.43447 hours remaining, 235.195312 MB of memory in use. ENERGY: 2215800 3974.3061 20548.4524 14413.8210 251.9904 -203352.2467 2546.8608 0.0000 0.0000 52206.0403 -109410.7757 300.0288 -161616.8160 -109050.9988 299.1476 -158.6717 -131.4832 763903.8391 -24.1000 -23.9936 PRESSURE: 2216000 -60.8846 -114.485 88.4358 -114.485 -615.138 78.9712 88.4363 78.9706 -289.138 GPRESSURE: 2216000 -103.091 -73.675 58.2671 -17.12 -515.879 41.5124 47.8192 200.773 -285.394 PRESSAVG: 2216000 63.1072 -15.4056 18.7911 -15.4056 -64.0836 -39.9737 18.7911 -39.9737 -1.98216 GPRESSAVG: 2216000 61.3578 -14.0898 19.6756 -14.4241 -62.9882 -40.608 18.5302 -40.2917 -1.36543 TIMING: 2216000 CPU: 7077.54, 0.00313914/step Wall: 7077.54, 0.00313914/step, 2.4276 hours remaining, 235.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2216000 4039.8574 20657.8451 14495.8942 250.3979 -203442.0933 2448.0640 0.0000 0.0000 52158.4275 -109391.6073 299.7552 -161550.0348 -109039.8261 299.7725 -321.7202 -301.4549 762226.6134 -0.9862 -0.9986 PRESSURE: 2216200 -64.1 -202.526 65.4384 -202.526 -55.1756 50.5071 65.4385 50.5081 7.00705 GPRESSURE: 2216200 -3.31581 -208.745 46.3361 -37.1887 35.872 92.5052 70.3754 100.287 -61.4172 PRESSAVG: 2216200 46.0962 -45.6516 -18.842 -45.6516 -48.4868 31.7231 -18.842 31.7232 -15.7554 GPRESSAVG: 2216200 46.933 -45.6456 -19.3962 -46.6621 -50.178 32.4076 -19.0448 32.4378 -14.8418 TIMING: 2216200 CPU: 7078.17, 0.00314998/step Wall: 7078.17, 0.00314998/step, 2.43581 hours remaining, 235.195312 MB of memory in use. ENERGY: 2216200 4027.6208 20430.8124 14464.4892 238.8597 -203537.8908 2701.8168 0.0000 0.0000 52248.3547 -109425.9373 300.2720 -161674.2920 -109060.3719 299.5764 -37.4229 -9.6203 761690.3417 -6.0487 -6.0289 LDB: ============= START OF LOAD BALANCING ============== 7090.59 LDB: ============== END OF LOAD BALANCING =============== 7090.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7090.59 LDB: ============= START OF LOAD BALANCING ============== 7090.91 LDB: Largest compute 7075 load 0.035358 is 18.1% of average load 0.195436 LDB: Average compute 0.004408 is 2.3% of average load 0.195436 LDB: TIME 7090.91 LOAD: AVG 0.195436 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 7090.91 LOAD: AVG 0.195436 MAX 0.214374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: TIME 7090.91 LOAD: AVG 0.195436 MAX 0.214374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: ============== END OF LOAD BALANCING =============== 7090.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7090.92 PRESSURE: 2216400 -42.3803 -12.052 63.693 -12.052 -161.087 13.0117 63.692 13.0124 -47.8542 GPRESSURE: 2216400 52.481 92.3058 141.146 -66.764 -151.517 86.7791 -41.4369 36.1937 -83.0383 PRESSAVG: 2216400 101.214 -78.3063 -10.319 -78.3062 -68.2394 -27.236 -10.3191 -27.2359 -19.6093 GPRESSAVG: 2216400 101.202 -78.5848 -9.64459 -76.4681 -67.5205 -27.4509 -13.7707 -27.2719 -20.4064 TIMING: 2216400 CPU: 7078.81, 0.00320282/step Wall: 7078.81, 0.00320282/step, 2.47649 hours remaining, 235.292969 MB of memory in use. ENERGY: 2216400 4053.7972 20544.2091 14498.2322 255.1266 -203508.4256 2679.2849 0.0000 0.0000 51994.8606 -109482.9150 298.8152 -161477.7756 -109132.2878 299.6113 -83.7737 -60.6914 760945.3627 4.4551 4.4251 PRESSURE: 2216600 -53.5904 -80.8367 -43.7552 -80.8366 -67.153 82.0466 -43.7551 82.048 350.275 GPRESSURE: 2216600 23.7238 -162.575 -3.25652 -61.483 -46.9327 107.329 -85.4682 -64.0426 336.794 PRESSAVG: 2216600 17.2021 8.08222 -2.50334 8.08227 -19.8295 -10.6525 -2.50338 -10.6525 27.9445 GPRESSAVG: 2216600 16.6582 7.71237 -2.83115 7.19179 -19.1374 -11.7245 -1.27547 -8.6237 27.8604 TIMING: 2216600 CPU: 7079.44, 0.00313704/step Wall: 7079.44, 0.00313704/step, 2.42546 hours remaining, 235.292969 MB of memory in use. ENERGY: 2216600 3995.5712 20538.8247 14493.5706 252.4536 -203228.7827 2601.6106 0.0000 0.0000 51943.3429 -109403.4091 298.5191 -161346.7520 -109042.1538 299.4713 76.5104 104.5284 760307.1193 8.4390 8.4604 PRESSURE: 2216800 -79.2775 0.502751 4.96892 0.502678 127.088 73.2195 4.96893 73.2198 169.479 GPRESSURE: 2216800 41.7618 68.9065 -38.3319 29.0838 122.667 57.7399 127.387 6.33382 147.462 PRESSAVG: 2216800 9.01716 -39.5526 -11.0535 -39.5527 -70.9744 -19.7868 -11.0535 -19.7869 -17.5231 GPRESSAVG: 2216800 9.5917 -39.2446 -10.8809 -39.63 -71.9562 -18.8557 -8.78427 -21.0221 -17.4204 TIMING: 2216800 CPU: 7080.07, 0.00313977/step Wall: 7080.07, 0.00313977/step, 2.42739 hours remaining, 235.292969 MB of memory in use. ENERGY: 2216800 4023.0783 20591.3617 14555.3983 245.7167 -203568.8528 2845.2711 0.0000 0.0000 51845.6886 -109462.3381 297.9579 -161308.0267 -109105.3524 298.9574 72.4299 103.9635 761744.2727 -26.4934 -26.5950 PRESSURE: 2217000 144.823 9.38561 -59.407 9.38586 -272.897 253.239 -59.4071 253.24 -63.9527 GPRESSURE: 2217000 212.971 -84.5357 -84.2803 5.53018 -189.694 207.296 -19.8074 239.775 -107.995 PRESSAVG: 2217000 21.358 -44.9924 49.4771 -44.9924 -43.2 37.023 49.4771 37.023 12.8163 GPRESSAVG: 2217000 21.7704 -44.318 48.9275 -46.3229 -43.792 36.5859 49.6814 36.2981 13.2741 TIMING: 2217000 CPU: 7080.7, 0.00315467/step Wall: 7080.7, 0.00315467/step, 2.43874 hours remaining, 235.292969 MB of memory in use. ENERGY: 2217000 3967.3553 20635.6609 14515.3451 229.4122 -203620.9731 2537.7431 0.0000 0.0000 52158.3542 -109577.1022 299.7548 -161735.4564 -109212.7030 299.0734 -64.0089 -28.2395 761832.7008 -3.0086 -2.9159 PRESSURE: 2217200 54.119 -71.665 -18.4985 -71.6644 29.9385 13.8405 -18.499 13.8411 -125.999 GPRESSURE: 2217200 57.6849 4.39966 19.7484 -142.512 117.302 -17.4343 -31.5335 40.3539 -135.538 PRESSAVG: 2217200 51.5204 -25.8217 9.46444 -25.8217 -46.9635 -12.1773 9.46446 -12.1772 11.0268 GPRESSAVG: 2217200 51.4666 -27.1129 11.053 -23.2365 -47.206 -12.5548 8.48644 -10.7351 11.3166 TIMING: 2217200 CPU: 7081.33, 0.0031352/step Wall: 7081.33, 0.0031352/step, 2.42351 hours remaining, 235.292969 MB of memory in use. ENERGY: 2217200 3981.1789 20496.7856 14517.8297 230.7357 -203535.9413 2670.4800 0.0000 0.0000 51925.6766 -109713.2548 298.4176 -161638.9314 -109349.5581 299.1813 -13.9803 13.1497 762745.5107 5.1946 5.1924 PRESSURE: 2217400 204.098 -105.454 151.784 -105.453 -167.953 85.8073 151.784 85.808 -124.402 GPRESSURE: 2217400 249.51 -219.16 167.484 -0.210206 -150.361 144.335 -67.0455 131.865 -103.878 PRESSAVG: 2217400 39.1117 -5.74569 28.9378 -5.74576 -36.8855 -12.1561 28.9379 -12.1561 6.61143 GPRESSAVG: 2217400 38.2844 -5.82086 28.1845 -9.57684 -35.7506 -11.2495 27.4955 -14.1846 5.8626 TIMING: 2217400 CPU: 7081.95, 0.00313922/step Wall: 7081.95, 0.00313922/step, 2.42644 hours remaining, 235.292969 MB of memory in use. ENERGY: 2217400 3993.8813 20645.8460 14541.3589 263.1051 -203923.9256 2839.2400 0.0000 0.0000 51919.7509 -109720.7434 298.3835 -161640.4943 -109366.6794 298.8551 -29.4191 -1.5762 760876.2524 2.9459 2.7988 PRESSURE: 2217600 61.989 -34.1984 -157.075 -34.1979 546.375 -180.062 -157.076 -180.062 455.064 GPRESSURE: 2217600 240.05 -71.3705 -207.605 -18.464 455.695 -37.205 -86.0213 -196.052 438.422 PRESSAVG: 2217600 -19.5811 -30.6977 64.3604 -30.6977 23.8718 16.1322 64.3604 16.1322 24.9499 GPRESSAVG: 2217600 -19.2527 -29.9162 62.8806 -28.8518 22.4901 16.2764 66.7243 16.6137 25.5232 TIMING: 2217600 CPU: 7082.58, 0.00313121/step Wall: 7082.58, 0.0031312/step, 2.42007 hours remaining, 235.292969 MB of memory in use. ENERGY: 2217600 3936.2080 20690.6420 14466.7508 240.8743 -203883.7155 2865.2792 0.0000 0.0000 51958.4047 -109725.5564 298.6057 -161683.9611 -109360.8353 298.1937 354.4758 378.0556 760199.4459 9.7468 9.5868 PRESSURE: 2217800 -167.171 150.065 -91.5149 150.065 -25.8988 -12.763 -91.5147 -12.7623 -186.468 GPRESSURE: 2217800 -137.289 128.102 -34.1427 160.036 65.764 -51.5242 -70.8793 28.0712 -222.413 PRESSAVG: 2217800 49.7195 -11.0331 -26.6041 -11.0331 -24.6646 -14.7937 -26.6041 -14.7937 -11.1009 GPRESSAVG: 2217800 49.7266 -11.367 -25.1059 -8.48301 -24.1661 -15.4285 -28.4181 -14.0686 -11.6347 TIMING: 2217800 CPU: 7083.2, 0.00312436/step Wall: 7083.2, 0.00312436/step, 2.41461 hours remaining, 235.417969 MB of memory in use. ENERGY: 2217800 4015.5444 20418.5967 14501.5834 230.9208 -203626.6595 2600.5059 0.0000 0.0000 52237.7243 -109621.7839 300.2109 -161859.5082 -109251.2280 298.9778 -126.5127 -97.9793 759348.2820 4.6513 4.6419 PRESSURE: 2218000 -373.514 306.583 -241.158 306.584 -47.2937 147.183 -241.158 147.182 34.9022 GPRESSURE: 2218000 -319.129 150.723 -252.574 271.382 -46.0165 203.097 -138.482 61.2628 79.8543 PRESSAVG: 2218000 36.7729 -18.3982 -22.199 -18.3982 -57.2785 -4.25544 -22.199 -4.25538 -11.3336 GPRESSAVG: 2218000 36.9893 -17.7857 -21.1231 -21.8335 -57.7849 -5.01967 -22.3463 -4.37264 -11.1915 TIMING: 2218000 CPU: 7083.83, 0.00313314/step Wall: 7083.83, 0.00313314/step, 2.42122 hours remaining, 235.417969 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: 2218000 4027.6140 20618.5094 14527.2179 261.2219 -203728.4298 2592.2744 0.0000 0.0000 51981.5288 -109720.0635 298.7386 -161701.5922 -109363.0876 298.8354 -128.6351 -95.0970 759450.4562 -10.6131 -10.6624 PRESSURE: 2218200 156.772 -219.75 -170.203 -219.751 -25.8028 -161.636 -170.204 -161.636 -651.242 GPRESSURE: 2218200 169.655 -221.64 -120.079 -100.904 -90.3361 -182.035 -183.624 -85.0317 -522.798 PRESSAVG: 2218200 -7.60215 -44.1944 34.3228 -44.1944 3.3999 11.3057 34.3228 11.3057 -2.3916 GPRESSAVG: 2218200 -7.75541 -45.4429 34.8163 -43.3145 2.51771 12.4013 33.1489 11.6171 -1.52225 TIMING: 2218200 CPU: 7084.46, 0.00314111/step Wall: 7084.46, 0.00314111/step, 2.42721 hours remaining, 235.417969 MB of memory in use. ENERGY: 2218200 4031.6805 20403.5540 14529.5229 264.6212 -203607.9376 2568.6673 0.0000 0.0000 51992.1502 -109817.7415 298.7996 -161809.8917 -109451.5186 299.0939 -173.4245 -147.8263 760578.6815 -2.1979 -2.2533 PRESSURE: 2218400 45.6721 -102.499 75.5619 -102.498 1.8766 98.7569 75.5621 98.7568 -243.617 GPRESSURE: 2218400 109.243 33.6583 -7.28471 -62.9898 39.0228 -28.5256 72.3535 43.461 -257.246 PRESSAVG: 2218400 41.8783 -59.2994 -81.4283 -59.2994 -42.9123 -5.86668 -81.4284 -5.8667 21.5961 GPRESSAVG: 2218400 41.5536 -56.8344 -82.7327 -58.3099 -41.1514 -7.62506 -80.0623 -7.53149 20.0319 TIMING: 2218400 CPU: 7085.09, 0.00315836/step Wall: 7085.09, 0.00315835/step, 2.44035 hours remaining, 235.417969 MB of memory in use. ENERGY: 2218400 3999.5358 20509.3369 14559.7138 223.5694 -203472.9413 2429.9605 0.0000 0.0000 51894.1788 -109856.6460 298.2366 -161750.8249 -109491.4350 298.5027 -65.3559 -36.3265 760651.5463 6.8541 6.8113 PRESSURE: 2218600 319.537 11.8195 259.89 11.8188 -469.128 -199.087 259.89 -199.087 -359.783 GPRESSURE: 2218600 329.04 -36.1055 272.757 -16.5068 -390.813 -132.555 186.988 -170.819 -360.229 PRESSAVG: 2218600 43.2998 -46.3198 -35.0904 -46.3198 -59.9738 9.57355 -35.0904 9.57365 -7.25574 GPRESSAVG: 2218600 42.8436 -48.8555 -35.4451 -47.8818 -59.0103 12.5435 -35.5535 10.0833 -6.94327 TIMING: 2218600 CPU: 7085.72, 0.00314138/step Wall: 7085.72, 0.00314139/step, 2.42707 hours remaining, 235.417969 MB of memory in use. ENERGY: 2218600 4065.6482 20209.8508 14454.1059 226.6364 -203546.3939 2546.4441 0.0000 0.0000 51982.2652 -110061.4433 298.7428 -162043.7085 -109685.1983 298.5672 -169.7913 -140.6672 761882.0648 -7.9766 -7.7033 PRESSURE: 2218800 -47.3369 -64.226 -57.0724 -64.2261 8.06817 214.269 -57.0725 214.269 70.8974 GPRESSURE: 2218800 4.4356 -151.221 -74.3291 -182.824 -83.2768 193.062 -69.8796 136.179 176.265 PRESSAVG: 2218800 98.7371 -104.549 -9.48171 -104.549 -72.8379 34.3043 -9.48168 34.3043 4.54008 GPRESSAVG: 2218800 99.0807 -102.856 -9.24487 -104.385 -74.9234 33.1646 -11.2565 34.0833 6.21878 TIMING: 2218800 CPU: 7086.35, 0.00312928/step Wall: 7086.35, 0.00312928/step, 2.41754 hours remaining, 235.417969 MB of memory in use. ENERGY: 2218800 4035.2348 20596.0466 14390.0890 263.1582 -203198.4907 2386.2096 0.0000 0.0000 51709.8246 -109817.9279 297.1771 -161527.7525 -109472.6839 298.6477 10.5429 32.4745 760457.4372 10.1464 10.1254 PRESSURE: 2219000 -25.7422 -207.783 19.5712 -207.782 -448.587 182.564 19.5708 182.564 162.989 GPRESSURE: 2219000 -6.8843 -164.779 18.9662 -149.716 -406.681 117.195 -110.388 89.9118 185.526 PRESSAVG: 2219000 -7.17191 -105.186 -42.6723 -105.186 -15.5985 34.0255 -42.6724 34.0255 7.73537 GPRESSAVG: 2219000 -6.97356 -105.005 -41.8844 -104.769 -13.9535 34.4866 -41.3291 32.3992 6.2564 TIMING: 2219000 CPU: 7086.97, 0.00313735/step Wall: 7086.97, 0.00313735/step, 2.4236 hours remaining, 235.417969 MB of memory in use. ENERGY: 2219000 4024.7845 20315.0822 14500.2078 256.7399 -203608.4180 2757.9802 0.0000 0.0000 52211.5071 -109542.1162 300.0602 -161753.6233 -109189.0478 298.8077 -103.7803 -76.0131 760088.5910 -5.0117 -4.8902 PRESSURE: 2219200 105.287 -226.16 -135.77 -226.16 -112.351 95.6023 -135.768 95.6031 -36.6354 GPRESSURE: 2219200 72.1113 -93.155 -162.223 -191.114 -66.4761 71.0051 -158.685 57.5365 10.3214 PRESSAVG: 2219200 50.5844 -79.3113 -15.9075 -79.3112 -31.4247 59.2506 -15.9075 59.2506 10.166 GPRESSAVG: 2219200 49.7376 -79.8763 -17.9281 -78.6518 -31.7222 57.321 -14.7244 60.3532 11.4705 TIMING: 2219200 CPU: 7087.6, 0.00313839/step Wall: 7087.6, 0.00313839/step, 2.42424 hours remaining, 235.417969 MB of memory in use. ENERGY: 2219200 3909.4801 20510.4614 14453.0272 251.9771 -203409.8130 2551.8439 0.0000 0.0000 52121.1050 -109611.9183 299.5407 -161733.0233 -109255.3178 299.3092 -14.5665 5.3189 760544.2336 9.7752 9.8287 PRESSURE: 2219400 -127.397 139.744 -8.14343 139.745 -194.481 -34.5156 -8.14376 -34.5152 88.5164 GPRESSURE: 2219400 -115.224 90.0585 37.5518 43.4711 -107.461 -79.1143 81.5735 26.9449 79.9758 PRESSAVG: 2219400 -18.9085 -49.7622 -21.4338 -49.7623 -9.67896 3.73057 -21.4338 3.7306 4.45725 GPRESSAVG: 2219400 -19.0436 -49.3763 -20.986 -50.3518 -9.20477 5.76478 -21.7647 4.93862 3.66996 TIMING: 2219400 CPU: 7088.23, 0.00314123/step Wall: 7088.23, 0.00314123/step, 2.42625 hours remaining, 235.417969 MB of memory in use. ENERGY: 2219400 4003.3556 20459.7315 14493.6188 257.7982 -203578.8549 2534.1477 0.0000 0.0000 52287.8311 -109542.3719 300.4989 -161830.2030 -109176.0312 298.9072 -77.7870 -47.5696 760536.8990 -8.0434 -8.1928 PRESSURE: 2219600 -82.8245 31.3834 -51.3233 31.3831 -94.957 55.0177 -51.3224 55.0179 -259.347 GPRESSURE: 2219600 -133.836 -73.0196 -154.431 -3.41435 -8.15096 43.766 -8.16752 32.4135 -203.194 PRESSAVG: 2219600 -0.0496008 -93.6065 -41.7605 -93.6064 20.47 -1.14703 -41.7605 -1.14703 4.94021 GPRESSAVG: 2219600 0.219061 -95.3473 -41.0702 -92.6388 21.3418 -3.14821 -42.5519 -1.59195 4.00582 TIMING: 2219600 CPU: 7088.86, 0.00313589/step Wall: 7088.86, 0.00313589/step, 2.42195 hours remaining, 235.417969 MB of memory in use. ENERGY: 2219600 4034.9315 20664.8159 14499.0167 236.0435 -203149.0725 2388.5086 0.0000 0.0000 51974.6531 -109351.1032 298.6990 -161325.7563 -108998.7481 299.4782 -145.7095 -115.0605 759331.8249 8.4535 8.5222 PRESSURE: 2219800 -245.66 59.233 -62.393 59.234 -56.5144 -45.8767 -62.3929 -45.8753 106.644 GPRESSURE: 2219800 -137.358 55.563 -49.0105 147.58 -33.5603 35.4576 -113.081 -121.695 74.0997 PRESSAVG: 2219800 -6.93905 -68.3571 -10.9869 -68.357 -18.5572 1.90332 -10.9869 1.90324 -7.38725 GPRESSAVG: 2219800 -6.72767 -67.3979 -9.57833 -69.7832 -20.9156 2.32668 -10.7448 2.67681 -5.7005 TIMING: 2219800 CPU: 7089.48, 0.00314427/step Wall: 7089.48, 0.00314427/step, 2.42825 hours remaining, 235.417969 MB of memory in use. ENERGY: 2219800 4030.2372 20611.3119 14428.5098 239.0701 -202880.9705 2287.4262 0.0000 0.0000 52187.2398 -109097.1755 299.9208 -161284.4153 -108738.6308 299.6700 -65.1766 -32.2730 763309.0181 -10.9612 -11.1146 PRESSURE: 2220000 -79.4193 -83.8352 173.904 -83.8346 -43.2267 -139.917 173.904 -139.917 301.375 GPRESSURE: 2220000 37.5093 -118.436 133.83 -73.3919 -53.8752 -114.014 234.273 -207.234 286.581 PRESSAVG: 2220000 -16.1527 -77.4957 21.2957 -77.4956 33.1761 -28.5983 21.2958 -28.5984 -23.2371 GPRESSAVG: 2220000 -17.1797 -78.6268 18.7531 -77.8389 34.5183 -25.8228 22.1088 -30.0815 -22.7423 TIMING: 2220000 CPU: 7090.12, 0.00315473/step Wall: 7090.12, 0.00315473/step, 2.43615 hours remaining, 235.417969 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: 2220000 4015.3552 20452.5117 14489.0726 249.9091 -203331.5548 2518.0184 0.0000 0.0000 52301.7163 -109304.9715 300.5787 -161606.6877 -108931.1082 300.2822 59.5762 90.0718 760839.1506 -2.0712 -1.8013 PRESSURE: 2220200 229.368 18.9617 -149.334 18.9616 -28.4959 127.569 -149.334 127.569 -49.1483 GPRESSURE: 2220200 142.324 -27.6427 -211.886 -28.0749 99.3651 75.7392 -133.838 157.372 -27.0083 PRESSAVG: 2220200 -7.37536 -37.0519 1.33795 -37.0519 12.9947 -10.5444 1.33792 -10.5443 25.0997 GPRESSAVG: 2220200 -6.88351 -36.2801 1.23393 -35.8343 13.2971 -12.7855 2.57085 -10.0603 23.6324 TIMING: 2220200 CPU: 7090.74, 0.00312921/step Wall: 7090.74, 0.00312921/step, 2.41627 hours remaining, 235.417969 MB of memory in use. ENERGY: 2220200 3996.8215 20490.9558 14421.3181 235.7053 -203167.3882 2725.3737 0.0000 0.0000 52281.1508 -109016.0630 300.4605 -161297.2139 -108652.6041 300.0772 50.5747 71.5604 762719.5874 10.2397 10.0153 LDB: ============= START OF LOAD BALANCING ============== 7103.16 LDB: ============== END OF LOAD BALANCING =============== 7103.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7103.16 LDB: ============= START OF LOAD BALANCING ============== 7103.48 LDB: Largest compute 7075 load 0.032029 is 16.4% of average load 0.195481 LDB: Average compute 0.004396 is 2.2% of average load 0.195481 LDB: TIME 7103.48 LOAD: AVG 0.195481 MAX 0.213542 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.285 MB LDB: TIME 7103.48 LOAD: AVG 0.195481 MAX 0.213542 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: TIME 7103.48 LOAD: AVG 0.195481 MAX 0.213542 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: ============== END OF LOAD BALANCING =============== 7103.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7103.49 PRESSURE: 2220400 -333.591 -75.0172 110.019 -75.0175 -414.075 181.67 110.02 181.671 62.5491 GPRESSURE: 2220400 -265.181 -102.655 205.508 -38.9389 -398.021 34.3636 80.7447 190.975 57.3189 PRESSAVG: 2220400 16.8995 -47.2196 15.9143 -47.2196 -50.2362 -4.79289 15.9143 -4.79292 1.15269 GPRESSAVG: 2220400 18.2506 -48.7118 18.8425 -47.1708 -51.9995 -4.68341 12.4804 -5.00387 1.73169 TIMING: 2220400 CPU: 7091.38, 0.00319891/step Wall: 7091.38, 0.00319891/step, 2.46992 hours remaining, 233.304688 MB of memory in use. ENERGY: 2220400 4008.6094 20309.3642 14358.9874 240.5168 -203089.0490 2705.5227 0.0000 0.0000 52298.1874 -109167.8610 300.5584 -161466.0485 -108808.3911 299.9646 -228.3722 -201.9609 763339.3711 -10.7280 -10.6724 PRESSURE: 2220600 163.885 -121.777 90.6299 -121.777 -203.417 72.2281 90.6299 72.2285 158.421 GPRESSURE: 2220600 167.254 -42.4745 42.9122 -130.3 -81.1139 48.546 -25.2854 67.2642 122.963 PRESSAVG: 2220600 20.3696 -44.0382 57.1906 -44.0382 -28.6378 -24.5975 57.1906 -24.5974 -33.1079 GPRESSAVG: 2220600 19.0371 -42.7399 55.8607 -45.0625 -26.5213 -24.2215 58.0413 -21.9853 -33.8827 TIMING: 2220600 CPU: 7092.01, 0.00313979/step Wall: 7092.01, 0.0031398/step, 2.4241 hours remaining, 233.507812 MB of memory in use. ENERGY: 2220600 3931.8330 20467.7839 14490.5884 234.9251 -203341.9779 2663.4117 0.0000 0.0000 52325.4143 -109228.0215 300.7149 -161553.4358 -108867.0540 300.0898 39.6295 69.7009 762036.5268 -13.7920 -13.7890 PRESSURE: 2220800 269.748 -227.116 -183.715 -227.116 59.9684 101.089 -183.714 101.09 307.556 GPRESSURE: 2220800 234.701 -217.552 -88.4047 -341.295 123.382 40.6748 -220.737 86.3116 369.993 PRESSAVG: 2220800 -25.9771 -4.58548 18.3642 -4.58539 -0.0378913 -8.30034 18.3642 -8.30029 0.803331 GPRESSAVG: 2220800 -26.6283 -2.8833 19.4594 -3.55546 -1.05658 -9.20669 18.1552 -10.2169 2.28866 TIMING: 2220800 CPU: 7092.64, 0.00314633/step Wall: 7092.64, 0.00314633/step, 2.42897 hours remaining, 233.507812 MB of memory in use. ENERGY: 2220800 3937.7937 20541.3058 14550.7302 247.2036 -202947.5508 2452.4065 0.0000 0.0000 52198.4419 -109019.6691 299.9852 -161218.1110 -108657.2811 300.3775 212.4242 242.6921 760898.6672 -8.4039 -8.4654 PRESSURE: 2221000 -126.443 -31.7011 18.2575 -31.701 -61.2183 14.8673 18.2581 14.867 -94.1985 GPRESSURE: 2221000 -146.341 -105.462 30.8497 -52.9296 -7.2608 16.5402 -175.419 103.226 -54.334 PRESSAVG: 2221000 5.89165 -71.3681 -27.1926 -71.3681 29.0736 -9.57532 -27.1926 -9.57536 13.2899 GPRESSAVG: 2221000 8.14157 -73.4231 -29.6316 -71.7795 26.9585 -7.63076 -27.8835 -8.6732 13.1852 TIMING: 2221000 CPU: 7093.27, 0.00314602/step Wall: 7093.27, 0.00314602/step, 2.42855 hours remaining, 233.507812 MB of memory in use. ENERGY: 2221000 4034.4886 20698.5598 14474.1694 251.5357 -202957.7962 2290.4056 0.0000 0.0000 51783.9518 -109424.6854 297.6031 -161208.6372 -109075.0511 299.7584 -93.9534 -69.3120 760539.5703 16.0851 16.0951 PRESSURE: 2221200 -138.877 -35.1262 -21.671 -35.1254 -379.744 -133.037 -21.6709 -133.037 -164.506 GPRESSURE: 2221200 -178.025 -78.7339 -76.5739 -26.4761 -318.453 -201.169 157.726 -155.515 -94.0653 PRESSAVG: 2221200 45.8371 -37.64 -10.4311 -37.64 -20.5834 1.73783 -10.4311 1.73779 16.8273 GPRESSAVG: 2221200 45.4773 -36.3966 -9.93052 -38.8306 -20.8646 -0.853727 -9.95243 1.93142 16.4699 TIMING: 2221200 CPU: 7093.89, 0.00313152/step Wall: 7093.89, 0.00313152/step, 2.41719 hours remaining, 233.507812 MB of memory in use. ENERGY: 2221200 3914.9785 20577.9839 14435.2267 232.4452 -203053.7514 2278.6988 0.0000 0.0000 52120.3336 -109494.0847 299.5363 -161614.4183 -109131.8390 299.2981 -227.7090 -196.8477 763051.2924 14.0270 13.6942 PRESSURE: 2221400 326.945 26.4173 38.8167 26.4176 158.278 108.107 38.8163 108.108 -44.1732 GPRESSURE: 2221400 315.314 80.4487 122.466 76.1884 308.23 213.165 -42.4998 -63.489 -100.779 PRESSAVG: 2221400 13.5857 -27.688 -40.9972 -27.688 -20.333 -16.1601 -40.9971 -16.1601 -4.54684 GPRESSAVG: 2221400 12.424 -29.8239 -39.8479 -25.6955 -18.5012 -14.1781 -40.1452 -18.0454 -6.03461 TIMING: 2221400 CPU: 7094.52, 0.0031275/step Wall: 7094.52, 0.0031275/step, 2.41391 hours remaining, 233.507812 MB of memory in use. ENERGY: 2221400 3956.4519 20606.6409 14506.1355 241.7847 -203825.1035 3035.8072 0.0000 0.0000 51894.6251 -109583.6581 298.2391 -161478.2833 -109230.8112 299.2727 147.0165 174.2551 761300.6914 -3.7647 -4.0373 PRESSURE: 2221600 197.214 -192.405 -145.735 -192.406 347.795 44.3609 -145.735 44.3614 -324.687 GPRESSURE: 2221600 275.177 -139.998 -138.466 -81.9858 288.117 122.632 -99.6648 -94.7733 -253.43 PRESSAVG: 2221600 42.8591 -70.5707 -7.56406 -70.5708 -59.2578 -10.896 -7.56406 -10.896 -1.02608 GPRESSAVG: 2221600 42.8674 -69.1764 -6.83734 -69.0276 -60.3392 -11.5549 -9.28358 -9.34074 0.223223 TIMING: 2221600 CPU: 7095.15, 0.00314719/step Wall: 7095.15, 0.00314719/step, 2.42893 hours remaining, 233.507812 MB of memory in use. ENERGY: 2221600 4011.9172 20479.2243 14480.9957 253.0759 -203191.0989 2364.5965 0.0000 0.0000 51995.0248 -109606.2646 298.8161 -161601.2894 -109241.1629 299.2553 73.4408 103.2881 761383.1819 -5.8083 -5.7495 PRESSURE: 2221800 -185.378 -243.971 -148.27 -243.971 -172.737 -31.3577 -148.27 -31.3579 -224.113 GPRESSURE: 2221800 -163.061 -166.943 -78.6476 -172.458 -98.981 -74.2248 -84.2627 -49.5173 -236.485 PRESSAVG: 2221800 65.5899 -26.9787 3.64134 -26.9787 -44.8668 -27.0137 3.64128 -27.0136 6.09368 GPRESSAVG: 2221800 63.9543 -28.0382 4.29284 -28.4235 -42.8296 -27.2719 3.53743 -27.7317 5.65164 TIMING: 2221800 CPU: 7095.78, 0.00314783/step Wall: 7095.78, 0.00314783/step, 2.42925 hours remaining, 233.507812 MB of memory in use. ENERGY: 2221800 3951.9360 20622.0925 14576.4657 276.4376 -203723.5019 2734.0541 0.0000 0.0000 52151.8534 -109410.6627 299.7174 -161562.5160 -109052.8536 299.4690 -194.0762 -166.1755 761330.3733 8.9389 8.9255 PRESSURE: 2222000 -322.836 37.8567 -58.6286 37.8569 245.025 -194.892 -58.6277 -194.892 140.019 GPRESSURE: 2222000 -341.602 39.5811 -19.1334 -57.4954 250.844 -221.979 -26.7759 -138.472 241.769 PRESSAVG: 2222000 26.7428 -23.2712 16.3006 -23.2713 -41.1763 34.319 16.3006 34.3191 -6.62658 GPRESSAVG: 2222000 28.4059 -21.897 15.1287 -24.856 -42.7552 33.8927 19.5568 34.5668 -6.32235 TIMING: 2222000 CPU: 7096.4, 0.00312563/step Wall: 7096.4, 0.00312563/step, 2.41195 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2222000 4021.9052 20647.1818 14434.1849 229.7265 -203454.5239 2578.9288 0.0000 0.0000 52135.7072 -109406.8896 299.6246 -161542.5968 -109049.5132 300.0158 20.7361 50.3370 761799.3798 -7.0200 -6.8906 PRESSURE: 2222200 379.647 -75.5875 104.334 -75.5866 284.547 -288.674 104.334 -288.674 20.8546 GPRESSURE: 2222200 437.388 -45.7756 -7.15215 -121.479 271.071 -140.111 18.9077 -211.415 53.0212 PRESSAVG: 2222200 -11.4921 -44.0031 -16.4165 -44.0031 49.4858 50.9573 -16.4164 50.9574 -13.5016 GPRESSAVG: 2222200 -11.0624 -44.7965 -17.8609 -44.3343 48.7465 51.5222 -18.3233 50.8075 -13.2866 TIMING: 2222200 CPU: 7097.03, 0.00312582/step Wall: 7097.03, 0.00312582/step, 2.41192 hours remaining, 233.507812 MB of memory in use. ENERGY: 2222200 3936.1864 20565.6072 14401.0769 241.0316 -202937.9157 2387.1219 0.0000 0.0000 52117.3595 -109289.5324 299.5192 -161406.8919 -108917.3321 300.0208 228.3498 253.8268 760856.3030 8.1640 8.1325 PRESSURE: 2222400 152.64 -58.4778 12.2235 -58.478 -12.7375 60.3531 12.2228 60.3527 157.423 GPRESSURE: 2222400 159.388 -126.634 96.4512 -114.468 64.8966 14.3759 43.2155 -42.2625 164.187 PRESSAVG: 2222400 23.7385 -15.0948 -39.2217 -15.0948 -11.1884 -21.5834 -39.2217 -21.5835 -5.01388 GPRESSAVG: 2222400 24.0084 -15.2215 -36.9969 -14.9671 -10.7554 -22.4841 -38.0404 -22.4334 -5.51571 TIMING: 2222400 CPU: 7097.65, 0.0031294/step Wall: 7097.65, 0.0031294/step, 2.4145 hours remaining, 233.507812 MB of memory in use. ENERGY: 2222400 3986.1170 20563.6163 14511.5686 239.4167 -203372.9788 2572.4015 0.0000 0.0000 52335.8766 -109163.9822 300.7750 -161499.8588 -108798.8396 300.3112 99.1083 129.4904 758542.8728 2.5121 2.5791 PRESSURE: 2222600 65.7338 169.194 -311.874 169.194 642.368 -159.723 -311.874 -159.723 44.8413 GPRESSURE: 2222600 -14.9466 105.241 -262.678 164.042 708.588 -44.9901 -208.698 -137.742 158.992 PRESSAVG: 2222600 15.3653 -40.6058 -16.2719 -40.6057 -2.11358 10.2541 -16.2719 10.2541 -7.20543 GPRESSAVG: 2222600 14.5022 -39.0113 -16.1813 -38.5379 -0.962247 11.6838 -16.053 11.8707 -7.42813 TIMING: 2222600 CPU: 7098.28, 0.00314407/step Wall: 7098.28, 0.00314407/step, 2.42565 hours remaining, 233.507812 MB of memory in use. ENERGY: 2222600 3971.9310 20528.5572 14485.9374 245.3191 -203448.3757 2538.6440 0.0000 0.0000 52479.6693 -109198.3178 301.6014 -161677.9871 -108830.1663 300.0370 250.9811 284.2109 758564.7377 2.0154 2.0373 PRESSURE: 2222800 -78.0487 -129.182 -163.802 -129.183 87.8898 -18.0379 -163.802 -18.0387 -25.3327 GPRESSURE: 2222800 9.81306 -156.618 -178.184 -152.995 67.558 -47.3479 -212.317 -42.5296 -22.9841 PRESSAVG: 2222800 -48.9465 -29.4092 -38.6013 -29.4093 43.4789 -1.56755 -38.6013 -1.56756 19.9086 GPRESSAVG: 2222800 -48.1374 -30.0383 -38.5199 -29.6991 42.9215 -1.50952 -41.2977 -5.04493 19.6303 TIMING: 2222800 CPU: 7098.91, 0.0031409/step Wall: 7098.91, 0.0031409/step, 2.42303 hours remaining, 233.507812 MB of memory in use. ENERGY: 2222800 3991.2211 20542.5849 14450.6964 271.5739 -203039.8108 2478.4916 0.0000 0.0000 52082.7349 -109222.5080 299.3202 -161305.2428 -108852.3221 299.9515 -5.1638 18.1290 761174.4441 4.8137 4.8048 PRESSURE: 2223000 -92.2823 -258.585 -193.908 -258.585 201.996 183.991 -193.907 183.99 51.0756 GPRESSURE: 2223000 -18.0565 -256.347 -232.895 -206.223 140.156 192.453 -204.518 124.537 100.227 PRESSAVG: 2223000 2.89083 -28.5836 -24.7164 -28.5836 2.83243 2.64133 -24.7164 2.64137 6.0606 GPRESSAVG: 2223000 2.72679 -28.2197 -26.3436 -29.5645 2.83028 2.20292 -23.2576 5.4868 5.91523 TIMING: 2223000 CPU: 7099.54, 0.00313199/step Wall: 7099.54, 0.00313199/step, 2.41598 hours remaining, 233.507812 MB of memory in use. ENERGY: 2223000 4020.9266 20601.4716 14502.4854 265.4154 -203595.9744 2612.9723 0.0000 0.0000 52355.0520 -109237.6511 300.8852 -161592.7031 -108875.2401 300.0560 53.5964 74.1090 759521.7986 3.9280 3.8241 PRESSURE: 2223200 -18.8534 77.3732 279.825 77.3733 -20.0054 -46.1384 279.825 -46.1385 13.1528 GPRESSURE: 2223200 30.5921 79.4508 355.503 145.734 57.584 -67.3182 164.405 -24.1946 -28.4665 PRESSAVG: 2223200 34.9209 -94.415 9.74138 -94.4149 -7.50407 12.2216 9.74132 12.2215 -6.10944 GPRESSAVG: 2223200 33.6197 -96.3646 10.187 -93.1929 -6.95774 11.1288 11.8694 11.7861 -4.88746 TIMING: 2223200 CPU: 7100.17, 0.00313967/step Wall: 7100.17, 0.00313967/step, 2.42173 hours remaining, 233.507812 MB of memory in use. ENERGY: 2223200 3929.5453 20458.1526 14450.1613 246.0955 -203073.2485 2442.4878 0.0000 0.0000 52283.3753 -109263.4306 300.4733 -161546.8059 -108889.0977 300.3965 -8.5687 19.9032 759226.0965 7.1024 7.2582 PRESSURE: 2223400 88.8196 -63.278 -20.4877 -63.2784 -79.9284 -81.9049 -20.4885 -81.9059 -175.358 GPRESSURE: 2223400 53.3585 -10.879 17.044 -2.50929 9.36868 -74.6623 15.1826 -34.2862 -154.15 PRESSAVG: 2223400 -34.4895 -13.4938 -11.6623 -13.4938 46.3389 -52.1902 -11.6624 -52.1903 18.1653 GPRESSAVG: 2223400 -33.227 -10.6443 -11.1191 -13.4549 46.2521 -50.7647 -14.1157 -52.3494 17.4158 TIMING: 2223400 CPU: 7100.8, 0.00315255/step Wall: 7100.8, 0.00315255/step, 2.43149 hours remaining, 233.507812 MB of memory in use. ENERGY: 2223400 4061.4030 20589.6438 14493.2273 233.2067 -203675.5237 2870.6419 0.0000 0.0000 52167.9940 -109259.4070 299.8102 -161427.4010 -108903.8581 299.5669 -55.4890 -30.4744 759943.2201 10.0049 10.1470 PRESSURE: 2223600 10.7187 139.535 -26.4504 139.535 293.33 -44.0498 -26.4513 -44.0503 156.946 GPRESSURE: 2223600 24.306 78.7049 -21.0352 112.987 351.232 -93.464 -139.745 74.2047 164.106 PRESSAVG: 2223600 -23.021 -63.3591 15.6033 -63.359 -10.2546 -23.406 15.6032 -23.4059 -4.57244 GPRESSAVG: 2223600 -23.3412 -65.3583 14.7331 -64.7305 -10.1261 -24.0752 16.5157 -22.8162 -4.18157 TIMING: 2223600 CPU: 7101.42, 0.00313878/step Wall: 7101.42, 0.00313878/step, 2.4207 hours remaining, 233.507812 MB of memory in use. ENERGY: 2223600 4020.3321 20577.8563 14411.9634 268.6568 -203321.2029 2685.6062 0.0000 0.0000 52125.4612 -109231.3269 299.5657 -161356.7881 -108864.9205 300.0715 153.6650 179.8813 760855.3211 -12.6160 -12.5496 PRESSURE: 2223800 -22.3734 79.3208 -259.857 79.3207 -543.127 -108.075 -259.857 -108.075 -171.976 GPRESSURE: 2223800 5.02945 36.1367 -236.832 -36.2767 -498.844 -93.2123 -326.321 -97.1595 -164.828 PRESSAVG: 2223800 -23.0963 -34.8068 -19.3359 -34.8068 -20.1572 28.4595 -19.3359 28.4595 -2.7814 GPRESSAVG: 2223800 -22.7588 -36.0316 -19.022 -33.3894 -21.7305 26.8257 -21.214 28.3262 -1.99433 TIMING: 2223800 CPU: 7102.05, 0.00314162/step Wall: 7102.05, 0.00314162/step, 2.42271 hours remaining, 233.507812 MB of memory in use. ENERGY: 2223800 4022.2549 20407.2459 14521.8761 259.6654 -203064.5913 2531.2298 0.0000 0.0000 52118.7598 -109203.5595 299.5272 -161322.3193 -108843.1848 300.1924 -245.8255 -219.5476 759888.1146 -15.3450 -15.4945 PRESSURE: 2224000 -312.43 106.712 -51.592 106.712 -179.308 27.5399 -51.591 27.54 -241.163 GPRESSURE: 2224000 -301.754 148.666 -119.18 40.3501 -101.905 56.558 5.96788 50.7958 -227.855 PRESSAVG: 2224000 10.3894 -37.7126 -9.2503 -37.7126 -7.92721 29.3631 -9.25033 29.3631 -0.409372 GPRESSAVG: 2224000 9.25029 -36.3943 -7.50872 -37.4682 -6.54256 30.9458 -6.2218 28.9126 -0.308987 TIMING: 2224000 CPU: 7102.68, 0.00313135/step Wall: 7102.68, 0.00313135/step, 2.41462 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2224000 3974.2992 20594.4720 14466.7059 244.1101 -203364.9597 2599.0035 0.0000 0.0000 52043.3096 -109443.0594 299.0936 -161486.3690 -109084.9497 299.5717 -244.3002 -210.5045 761352.1239 0.6843 0.7996 PRESSURE: 2224200 -123.287 -28.1383 -15.2656 -28.1376 17.6503 16.5503 -15.2651 16.5497 100.073 GPRESSURE: 2224200 -57.296 -90.3411 100.166 -33.3744 70.1053 -73.125 17.919 151 60.1495 PRESSAVG: 2224200 10.9757 -17.5438 -29.9264 -17.5438 -18.5299 -24.7015 -29.9264 -24.7014 3.17813 GPRESSAVG: 2224200 11.2408 -14.7917 -31.1827 -18.7829 -17.8628 -21.8711 -32.0966 -25.9832 2.05333 TIMING: 2224200 CPU: 7103.3, 0.00313143/step Wall: 7103.3, 0.00313143/step, 2.41451 hours remaining, 233.507812 MB of memory in use. ENERGY: 2224200 4027.3844 20452.0276 14549.2453 241.7393 -203453.6058 2545.2072 0.0000 0.0000 52168.2871 -109469.7150 299.8119 -161638.0020 -109107.1286 299.3229 -1.8547 24.3196 759181.9963 -1.4587 -1.5229 LDB: ============= START OF LOAD BALANCING ============== 7115.72 LDB: ============== END OF LOAD BALANCING =============== 7115.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7115.73 LDB: ============= START OF LOAD BALANCING ============== 7116.04 LDB: Largest compute 7032 load 0.033135 is 16.9% of average load 0.195527 LDB: Average compute 0.004402 is 2.3% of average load 0.195527 LDB: TIME 7116.04 LOAD: AVG 0.195527 MAX 0.214778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.82 MB LDB: TIME 7116.04 LOAD: AVG 0.195527 MAX 0.214778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: TIME 7116.04 LOAD: AVG 0.195527 MAX 0.214778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: ============== END OF LOAD BALANCING =============== 7116.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7116.05 PRESSURE: 2224400 -220.214 109.028 -125.646 109.029 199.973 -102.332 -125.644 -102.332 342.488 GPRESSURE: 2224400 -242.931 -56.3522 -252.708 161.228 273.843 -50.8202 -15.3376 -99.0472 359.249 PRESSAVG: 2224400 -39.1423 -26.4594 1.50741 -26.4594 -25.7161 -25.7703 1.50744 -25.7703 6.34287 GPRESSAVG: 2224400 -37.2107 -28.6766 -0.622478 -26.7864 -28.0946 -28.8193 0.0210175 -23.4036 7.02071 TIMING: 2224400 CPU: 7103.94, 0.00319701/step Wall: 7103.94, 0.00319701/step, 2.4649 hours remaining, 234.902344 MB of memory in use. ENERGY: 2224400 3927.0809 20591.1496 14561.9804 248.5048 -203234.7552 2717.1212 0.0000 0.0000 51595.7830 -109593.1352 296.5217 -161188.9182 -109228.3956 299.2827 107.4157 130.0539 762173.0322 -19.5052 -19.4282 PRESSURE: 2224600 521.568 -105.252 -186.258 -105.251 -127.343 63.7087 -186.259 63.7088 -110.391 GPRESSURE: 2224600 476.105 -187.231 -192.939 -110.771 -80.2287 -46.1429 -92.2593 63.0896 -49.0195 PRESSAVG: 2224600 64.3367 35.5376 -34.1297 35.5377 -27.9677 -24.1508 -34.1297 -24.1507 -18.838 GPRESSAVG: 2224600 63.3903 33.4317 -31.2883 37.6569 -26.3253 -24.2013 -31.9081 -25.6635 -19.0296 TIMING: 2224600 CPU: 7104.57, 0.00312087/step Wall: 7104.57, 0.00312087/step, 2.40601 hours remaining, 234.972656 MB of memory in use. ENERGY: 2224600 4001.9691 20576.9837 14489.9074 259.5932 -203816.5519 2723.9941 0.0000 0.0000 52053.5435 -109710.5608 299.1524 -161764.1043 -109347.4419 298.7844 94.6115 115.6190 759702.6203 5.8437 6.0118 PRESSURE: 2224800 -474.5 73.4029 -16.1135 73.4026 -48.9523 256.483 -16.1144 256.483 -286.366 GPRESSURE: 2224800 -425.388 27.7345 49.1789 -22.6359 -31.8304 283.019 -105.93 226.088 -259.302 PRESSAVG: 2224800 -41.994 14.2086 -40.5584 14.2085 15.6833 -11.9428 -40.5584 -11.9428 20.7163 GPRESSAVG: 2224800 -43.007 16.5414 -42.0877 10.1532 14.9514 -10.595 -40.8445 -12.2662 21.7626 TIMING: 2224800 CPU: 7105.2, 0.00314654/step Wall: 7105.2, 0.00314654/step, 2.42563 hours remaining, 234.972656 MB of memory in use. ENERGY: 2224800 4038.3459 20387.5617 14463.0816 243.7700 -203215.5168 2490.7307 0.0000 0.0000 51741.2030 -109850.8239 297.3574 -161592.0269 -109475.8905 298.4532 -269.9394 -238.8403 761870.7119 -1.8648 -2.0977 PRESSURE: 2225000 -73.2465 197.996 -48.9855 197.996 93.7352 116.085 -48.9859 116.085 -369.445 GPRESSURE: 2225000 39.0825 55.8332 -49.5186 186.737 103.213 151.74 -46.7984 67.5002 -402.886 PRESSAVG: 2225000 -18.0979 -11.3538 -15.8475 -11.3537 -38.0949 -30.6261 -15.8475 -30.6261 -2.35945 GPRESSAVG: 2225000 -17.3392 -13.7879 -15.2051 -7.66541 -38.2128 -32.6623 -17.1447 -29.5796 -3.46706 TIMING: 2225000 CPU: 7105.82, 0.00312966/step Wall: 7105.82, 0.00312967/step, 2.41245 hours remaining, 234.972656 MB of memory in use. ENERGY: 2225000 3965.1902 20495.5260 14466.0142 243.5735 -203369.9801 2593.4442 0.0000 0.0000 51816.9845 -109789.2474 297.7929 -161606.2320 -109431.2650 298.5047 -116.3186 -86.8634 762713.5946 -19.5174 -19.6730 PRESSURE: 2225200 -14.0738 -95.7217 -178.546 -95.7225 -253.335 -190.84 -178.546 -190.84 68.4379 GPRESSURE: 2225200 -50.4692 -26.007 -88.8015 -92.197 -242.648 -101.215 -206.63 -62.7719 193.782 PRESSAVG: 2225200 26.04 2.8134 -17.9 2.8134 -3.42414 21.6662 -17.9001 21.6662 -13.6947 GPRESSAVG: 2225200 26.6695 4.24418 -17.2873 1.97151 -3.58967 23.2016 -19.8159 23.6005 -14.0265 TIMING: 2225200 CPU: 7106.45, 0.00314174/step Wall: 7106.45, 0.00314174/step, 2.42158 hours remaining, 234.972656 MB of memory in use. ENERGY: 2225200 4004.0972 20571.8127 14493.4331 222.7959 -203358.3550 2566.4970 0.0000 0.0000 51707.8664 -109791.8526 297.1658 -161499.7190 -109443.0799 298.5443 -66.3237 -33.1119 762634.2382 2.9737 3.0178 PRESSURE: 2225400 -240.989 -21.1124 -76.9986 -21.1123 -195.453 -112.112 -76.9986 -112.112 -95.111 GPRESSURE: 2225400 -174.869 23.6657 -162.52 -60.5658 -192.626 -82.7251 14.25 -259.179 -65.6026 PRESSAVG: 2225400 3.7918 -0.62648 -2.41456 -0.626478 0.607857 -21.1309 -2.41452 -21.1309 15.2662 GPRESSAVG: 2225400 3.17927 0.0629621 -3.78642 -2.9145 1.16519 -22.8601 0.562577 -22.2962 15.4762 TIMING: 2225400 CPU: 7107.08, 0.0031328/step Wall: 7107.08, 0.0031328/step, 2.41452 hours remaining, 234.972656 MB of memory in use. ENERGY: 2225400 3959.6235 20722.5158 14527.1433 251.8122 -203381.4531 2188.8569 0.0000 0.0000 51980.9543 -109750.5471 298.7353 -161731.5014 -109387.8028 298.3882 -177.1842 -144.3660 761132.7196 6.5553 6.6069 PRESSURE: 2225600 -45.0279 44.4719 195.54 44.4709 -175.322 87.4062 195.539 87.4051 -439.007 GPRESSURE: 2225600 -7.76952 -16.0697 102.529 105.471 -74.7111 37.3742 233.278 79.0969 -498.695 PRESSAVG: 2225600 -11.3073 -24.9206 -3.1578 -24.9206 -28.5656 -23.8557 -3.15776 -23.8556 -11.0032 GPRESSAVG: 2225600 -11.7233 -25.3809 -3.65837 -23.4115 -26.9912 -23.8784 -3.58338 -24.625 -11.8472 TIMING: 2225600 CPU: 7107.7, 0.00313028/step Wall: 7107.7, 0.00313028/step, 2.4124 hours remaining, 234.972656 MB of memory in use. ENERGY: 2225600 3964.0871 20489.2791 14441.5429 232.8558 -203110.9089 2310.8499 0.0000 0.0000 51773.1596 -109899.1344 297.5411 -161672.2940 -109539.3004 298.4568 -219.7855 -193.7252 761787.2939 -16.9587 -16.8539 PRESSURE: 2225800 -185.472 -65.6927 -202.607 -65.6933 -90.0623 -49.8194 -202.608 -49.8192 -53.6467 GPRESSURE: 2225800 -215.969 -40.7418 -266.008 -18.5545 13.6255 -86.8414 -202.699 -45.2019 -46.2784 PRESSAVG: 2225800 4.60275 40.3319 -23.2756 40.3319 18.1516 18.6349 -23.2755 18.6349 9.0593 GPRESSAVG: 2225800 4.98813 38.2271 -22.9215 41.5117 17.5234 16.8757 -23.1942 18.8868 8.67659 TIMING: 2225800 CPU: 7108.33, 0.0031384/step Wall: 7108.33, 0.0031384/step, 2.41849 hours remaining, 234.972656 MB of memory in use. ENERGY: 2225800 3991.2729 20543.9366 14443.2091 244.7324 -203463.0692 2560.0488 0.0000 0.0000 51898.2630 -109781.6065 298.2600 -161679.8695 -109417.6132 298.6389 -109.7270 -82.8739 761471.1194 10.6046 10.3961 PRESSURE: 2226000 -63.4473 9.4915 117.421 9.49092 -43.5537 57.2027 117.421 57.2025 -358.845 GPRESSURE: 2226000 3.00073 -28.4234 1.94786 30.3326 7.87458 28.7716 248.068 75.9405 -390.71 PRESSAVG: 2226000 20.0615 -15.8206 30.8994 -15.8206 1.21445 -5.89209 30.8995 -5.89215 14.4755 GPRESSAVG: 2226000 18.9794 -15.283 30.3301 -16.5096 2.20198 -1.60601 31.2687 -5.70543 14.4605 TIMING: 2226000 CPU: 7108.96, 0.00314906/step Wall: 7108.96, 0.00314906/step, 2.42652 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2226000 4027.6756 20442.3854 14465.5685 253.6768 -203833.9757 2781.0816 0.0000 0.0000 52209.9143 -109653.6734 300.0511 -161863.5877 -109293.8128 299.3005 -155.2820 -126.6114 761064.5446 11.9171 11.8806 PRESSURE: 2226200 264.845 35.1978 -115.895 35.1971 -99.8904 122.709 -115.896 122.709 188.254 GPRESSURE: 2226200 306.987 47.9889 -48.459 -112.485 -93.3811 104.796 -30.4434 198.296 216.081 PRESSAVG: 2226200 -40.2644 -54.7276 0.662355 -54.7276 -16.1277 -26.6052 0.662436 -26.6051 -6.09462 GPRESSAVG: 2226200 -39.7748 -54.2042 2.17058 -53.1149 -17.7151 -27.8413 0.41937 -26.6675 -5.8322 TIMING: 2226200 CPU: 7109.59, 0.00314617/step Wall: 7109.59, 0.00314617/step, 2.42412 hours remaining, 234.972656 MB of memory in use. ENERGY: 2226200 4015.8633 20666.4534 14551.6678 248.2429 -203698.6664 2656.6135 0.0000 0.0000 52087.6532 -109472.1722 299.3485 -161559.8254 -109109.9579 299.3782 117.7363 143.2292 761470.8540 -20.8289 -21.1074 PRESSURE: 2226400 1.97093 -116.056 92.7101 -116.055 54.3019 -120.703 92.7107 -120.703 -874.821 GPRESSURE: 2226400 50.0718 -85.5733 25.2791 -198.709 29.5732 -156.541 14.6645 -110.751 -836.275 PRESSAVG: 2226400 22.9124 -74.9278 19.3554 -74.9278 -17.9834 17.9729 19.3554 17.9729 2.60514 GPRESSAVG: 2226400 23.453 -73.7305 16.8962 -77.224 -19.4127 17.2265 19.1137 17.2142 2.94478 TIMING: 2226400 CPU: 7110.22, 0.00314239/step Wall: 7110.22, 0.00314239/step, 2.42104 hours remaining, 234.972656 MB of memory in use. ENERGY: 2226400 4003.4506 20711.1360 14475.9896 259.4968 -203195.0471 2329.5812 0.0000 0.0000 52007.3146 -109408.0783 298.8868 -161415.3929 -109042.3863 299.4608 -272.8494 -252.2098 762419.0530 2.5114 2.3284 PRESSURE: 2226600 484.106 109.812 -61.8628 109.812 319.955 -244.264 -61.8621 -244.265 347.997 GPRESSURE: 2226600 472.518 190.684 23.417 119.665 325.376 -251.618 -137.526 -203.153 439.131 PRESSAVG: 2226600 14.8386 -32.1761 -20.5257 -32.1761 47.8414 24.2359 -20.5257 24.2359 11.2841 GPRESSAVG: 2226600 14.1603 -32.0679 -19.0218 -31.1337 49.1053 23.537 -20.9846 25.9141 11.0637 TIMING: 2226600 CPU: 7110.85, 0.00315789/step Wall: 7110.85, 0.00315789/step, 2.4328 hours remaining, 234.972656 MB of memory in use. ENERGY: 2226600 3932.8194 20543.0447 14504.7737 236.2194 -203765.9872 2948.1331 0.0000 0.0000 51995.5463 -109605.4506 298.8191 -161600.9969 -109233.0930 299.5496 384.0195 412.3416 760360.2282 24.6547 24.7764 PRESSURE: 2226800 -115.739 12.1779 -55.5112 12.1786 -80.4902 190.383 -55.5112 190.383 -6.55324 GPRESSURE: 2226800 -90.4211 -36.3433 -67.2223 25.7847 -13.9596 173.801 -32.9524 202.165 -17.301 PRESSAVG: 2226800 -9.48729 -32.5433 32.2061 -32.5433 -9.44832 5.97882 32.2062 5.97883 0.911393 GPRESSAVG: 2226800 -9.1466 -33.6611 31.1255 -32.8465 -9.94394 7.27796 32.7113 5.0206 0.407418 TIMING: 2226800 CPU: 7111.48, 0.00314665/step Wall: 7111.48, 0.00314665/step, 2.42397 hours remaining, 234.972656 MB of memory in use. ENERGY: 2226800 3965.0027 20546.2650 14562.4721 248.1757 -203452.0933 2406.4636 0.0000 0.0000 51985.5103 -109738.2039 298.7614 -161723.7142 -109372.7350 298.8621 -67.5941 -40.5606 761906.8677 -6.0081 -6.2277 PRESSURE: 2227000 185.481 -11.8714 -115.039 -11.8715 74.345 135.692 -115.041 135.692 36.885 GPRESSURE: 2227000 106.132 -5.31242 -130.736 21.1347 202.99 164.953 -51.6665 57.2521 63.8875 PRESSAVG: 2227000 8.79049 -46.0638 20.3936 -46.0637 9.43197 41.6891 20.3936 41.6891 -5.92169 GPRESSAVG: 2227000 8.97401 -44.2102 20.2053 -44.7506 9.14143 42.2286 20.6948 43.5466 -5.71195 TIMING: 2227000 CPU: 7112.11, 0.00314849/step Wall: 7112.11, 0.00314849/step, 2.42522 hours remaining, 234.972656 MB of memory in use. ENERGY: 2227000 3984.0329 20627.5643 14485.0061 255.7924 -203620.6648 2600.6474 0.0000 0.0000 51884.2790 -109783.3428 298.1797 -161667.6218 -109420.6044 299.0216 98.9038 124.3363 760346.6695 4.1003 4.1345 PRESSURE: 2227200 -73.8648 -58.8025 285.981 -58.8024 -272.242 134.741 285.982 134.741 -357.387 GPRESSURE: 2227200 -43.9745 -68.7778 200.024 -50.0614 -251.748 65.3805 205.493 140.967 -329.479 PRESSAVG: 2227200 -16.3474 -58.4314 18.256 -58.4314 -24.8102 85.8579 18.2561 85.8579 25.5701 GPRESSAVG: 2227200 -15.3037 -57.0834 19.8488 -61.2436 -24.9955 84.6366 17.2183 83.7808 24.7762 TIMING: 2227200 CPU: 7112.74, 0.0031467/step Wall: 7112.74, 0.0031467/step, 2.42366 hours remaining, 234.972656 MB of memory in use. ENERGY: 2227200 3994.7290 20737.2577 14474.0547 247.6378 -203544.6330 2412.3696 0.0000 0.0000 51876.5674 -109802.0168 298.1353 -161678.5842 -109448.1232 298.7268 -234.4980 -208.4005 759817.4506 -5.1959 -5.1743 PRESSURE: 2227400 -39.6162 112.878 46.3048 112.878 -350.872 -339.195 46.3056 -339.194 -80.732 GPRESSURE: 2227400 77.4615 120.35 -31.9706 163.419 -392.246 -229.403 283.789 -367.869 -75.4789 PRESSAVG: 2227400 -21.5136 -19.4468 29.8406 -19.4468 -42.1458 -6.124 29.8406 -6.12394 -5.7576 GPRESSAVG: 2227400 -21.9367 -20.8143 28.9403 -17.9757 -42.2988 -5.40568 28.7568 -8.41557 -5.22335 TIMING: 2227400 CPU: 7113.37, 0.00313928/step Wall: 7113.37, 0.00313928/step, 2.41777 hours remaining, 234.972656 MB of memory in use. ENERGY: 2227400 3997.6435 20583.7718 14518.8904 252.1533 -203258.7709 2288.1914 0.0000 0.0000 51926.7437 -109691.3767 298.4237 -161618.1205 -109321.8823 299.0706 -157.0733 -130.0878 761487.3622 -23.1390 -23.1530 PRESSURE: 2227600 99.1677 26.7854 -162.911 26.7856 -213.487 -39.5598 -162.911 -39.5602 5.92537 GPRESSURE: 2227600 111.99 47.5996 -186.706 -14.0244 -101.757 -37.6985 -46.2806 160.016 -41.3915 PRESSAVG: 2227600 -8.89297 -15.6055 43.1337 -15.6055 24.4034 5.24851 43.1337 5.24851 -2.59042 GPRESSAVG: 2227600 -9.18836 -17.4756 43.1462 -15.0059 24.1937 4.40319 44.2364 6.71734 -2.0459 TIMING: 2227600 CPU: 7113.99, 0.00313573/step Wall: 7113.99, 0.00313573/step, 2.41486 hours remaining, 234.972656 MB of memory in use. ENERGY: 2227600 3976.0197 20400.5768 14500.9453 256.0936 -203593.7456 2720.3556 0.0000 0.0000 52056.1201 -109683.6345 299.1672 -161739.7546 -109315.6769 299.4746 -36.1312 -10.3859 759378.4179 4.3067 4.3198 PRESSURE: 2227800 -394.188 44.3596 -159.002 44.3589 -106.133 -1.56901 -159.001 -1.5695 22.6957 GPRESSURE: 2227800 -434.505 -69.2921 -206.123 125.935 -54.5382 -17.9922 -135.299 55.5407 86.668 PRESSAVG: 2227800 26.948 38.1846 22.2246 38.1845 -8.63485 10.7863 22.2247 10.7863 -8.53768 GPRESSAVG: 2227800 27.8568 38.6371 22.471 38.0764 -7.84564 12.0993 22.9918 10.3499 -10.4634 TIMING: 2227800 CPU: 7114.63, 0.00315052/step Wall: 7114.63, 0.00315052/step, 2.42607 hours remaining, 234.972656 MB of memory in use. ENERGY: 2227800 3974.6810 20595.8542 14478.9957 255.1874 -203488.3559 2268.1146 0.0000 0.0000 52213.1404 -109702.3826 300.0696 -161915.5230 -109336.3074 299.5804 -159.2084 -134.1250 760379.1886 3.2585 3.1826 PRESSURE: 2228000 -208.145 145.929 -94.9435 145.929 -168.741 -6.81143 -94.9429 -6.81021 33.149 GPRESSURE: 2228000 -115.762 57.8585 -142.925 109.878 -211.42 64.5302 73.6583 -2.75727 58.681 PRESSAVG: 2228000 -1.788 7.57206 38.0426 7.57208 -15.8382 36.1427 38.0426 36.1426 -26.495 GPRESSAVG: 2228000 -2.58483 8.64512 38.8165 7.57361 -15.213 34.4948 37.66 36.7561 -26.1116 TIMING: 2228000 CPU: 7115.25, 0.00312719/step Wall: 7115.25, 0.00312719/step, 2.40794 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2228000 3978.3723 20510.0695 14549.9238 234.6424 -203707.7150 2723.8021 0.0000 0.0000 52158.2247 -109552.6801 299.7540 -161710.9048 -109182.5884 299.5429 -114.5790 -89.5003 762110.1238 -14.7070 -14.6365 PRESSURE: 2228200 -263.406 28.2152 -58.9418 28.2148 -490.966 38.7764 -58.9418 38.7772 -70.1054 GPRESSURE: 2228200 -191.692 64.8124 -74.5945 -111.754 -473.9 68.972 -44.2955 -114.206 -74.7441 PRESSAVG: 2228200 59.3125 -49.6264 4.81804 -49.6265 -52.8004 21.2564 4.81798 21.2564 16.6494 GPRESSAVG: 2228200 58.9389 -50.8788 4.94502 -51.6278 -53.4089 21.0782 3.08691 22.773 17.4328 TIMING: 2228200 CPU: 7115.88, 0.00313775/step Wall: 7115.88, 0.00313775/step, 2.41589 hours remaining, 234.972656 MB of memory in use. ENERGY: 2228200 4060.3043 20607.0605 14448.6740 246.8287 -203221.4848 2298.7431 0.0000 0.0000 52041.8708 -109518.0034 299.0853 -161559.8742 -109158.8764 299.5040 -274.8256 -246.7786 762098.7966 7.7205 7.6543 LDB: ============= START OF LOAD BALANCING ============== 7128.3 LDB: ============== END OF LOAD BALANCING =============== 7128.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7128.3 LDB: ============= START OF LOAD BALANCING ============== 7128.62 LDB: Largest compute 7032 load 0.034056 is 17.4% of average load 0.195500 LDB: Average compute 0.004419 is 2.3% of average load 0.195500 LDB: TIME 7128.62 LOAD: AVG 0.1955 MAX 0.214934 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.359 MB LDB: TIME 7128.62 LOAD: AVG 0.1955 MAX 0.214934 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: TIME 7128.62 LOAD: AVG 0.1955 MAX 0.214934 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: ============== END OF LOAD BALANCING =============== 7128.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7128.63 PRESSURE: 2228400 140.044 -150.194 -142.441 -150.193 -381.44 -90.6589 -142.442 -90.6588 180.414 GPRESSURE: 2228400 167.595 -94.6201 -121.751 -44.9626 -338.831 -183.228 -268.713 -49.0204 201.297 PRESSAVG: 2228400 38.714 -19.9371 -34.8432 -19.9371 -52.2199 7.068 -34.8433 7.06796 -2.03324 GPRESSAVG: 2228400 38.6979 -19.2745 -36.2809 -16.5346 -51.6138 7.78965 -34.7827 5.62405 -3.19656 TIMING: 2228400 CPU: 7116.52, 0.00320924/step Wall: 7116.52, 0.00320924/step, 2.47076 hours remaining, 233.683594 MB of memory in use. ENERGY: 2228400 3967.7808 20708.1397 14502.7034 246.4396 -203638.0460 2578.4190 0.0000 0.0000 51880.3350 -109754.2284 298.1570 -161634.5635 -109404.3959 298.8830 -20.3275 10.0201 761119.7606 -5.1797 -5.3708 PRESSURE: 2228600 -126.895 126.295 -18.4157 126.296 -165.781 108.03 -18.4154 108.031 -93.3462 GPRESSURE: 2228600 -80.4216 182.81 -13.2167 12.5867 -207.887 89.263 -25.5304 113.237 -0.307022 PRESSAVG: 2228600 31.8211 -42.4216 28.2153 -42.4216 -37.5443 -34.8125 28.2153 -34.8124 22.4978 GPRESSAVG: 2228600 31.8267 -40.9902 29.1802 -44.307 -38.0176 -35.8989 27.7893 -33.8417 22.6598 TIMING: 2228600 CPU: 7117.15, 0.00313396/step Wall: 7117.15, 0.00313396/step, 2.41263 hours remaining, 233.683594 MB of memory in use. ENERGY: 2228600 4061.9613 20572.1539 14565.4649 261.3769 -203587.6656 2551.0030 0.0000 0.0000 51887.9977 -109687.7080 298.2010 -161575.7057 -109332.7404 298.9817 -128.6739 -96.2052 762372.7318 5.5916 5.4896 PRESSURE: 2228800 242.019 -38.7332 35.5484 -38.7332 -136.24 87.898 35.5494 87.8968 85.6064 GPRESSURE: 2228800 248.244 -3.58336 57.7116 -71.7195 -110.531 70.8091 10.5147 58.8539 139.014 PRESSAVG: 2228800 70.9872 -51.4204 -12.5823 -51.4204 -49.5557 -51.135 -12.5823 -51.1349 -12.2238 GPRESSAVG: 2228800 71.8761 -53.7695 -11.5489 -50.0186 -49.9596 -49.7215 -14.5371 -52.8176 -12.4341 TIMING: 2228800 CPU: 7117.78, 0.00314443/step Wall: 7117.78, 0.00314443/step, 2.42051 hours remaining, 233.683594 MB of memory in use. ENERGY: 2228800 4000.7392 20488.6086 14482.9629 260.6597 -203384.6293 2641.4367 0.0000 0.0000 51832.7361 -109677.4861 297.8834 -161510.2222 -109318.3499 298.8923 63.7951 92.2427 760654.4558 3.0692 3.1608 PRESSURE: 2229000 -97.5399 135.502 -66.4129 135.502 -1.82597 172.124 -66.414 172.123 -462.625 GPRESSURE: 2229000 -56.5946 38.4189 -21.9142 5.70283 -45.896 158.233 -104.026 142.294 -364.027 PRESSAVG: 2229000 28.1485 -30.1404 4.9948 -30.1403 -26.9187 41.5031 4.99482 41.5031 -10.7754 GPRESSAVG: 2229000 27.6352 -30.0343 3.86401 -30.0589 -27.0458 40.8836 7.24861 40.9533 -10.3139 TIMING: 2229000 CPU: 7118.4, 0.00312996/step Wall: 7118.4, 0.00312997/step, 2.4092 hours remaining, 233.683594 MB of memory in use. ENERGY: 2229000 4048.6242 20615.2146 14493.6011 237.0697 -203038.3389 2348.7537 0.0000 0.0000 51601.4154 -109693.6602 296.5540 -161295.0756 -109334.6125 298.9737 -187.3303 -155.5057 760279.8770 -3.1818 -3.2415 PRESSURE: 2229200 119.692 228.313 -46.3994 228.313 -192.633 145.207 -46.3985 145.207 -235.839 GPRESSURE: 2229200 91.8897 90.2198 60.9176 158.618 -70.143 218.759 75.2162 106.968 -233.696 PRESSAVG: 2229200 9.93796 -9.56815 -2.25582 -9.56812 -10.5884 6.12777 -2.25577 6.1277 -11.7441 GPRESSAVG: 2229200 10.1444 -8.15168 -1.41868 -8.89059 -11.6103 6.10279 -1.33865 6.17563 -10.481 TIMING: 2229200 CPU: 7119.03, 0.00312722/step Wall: 7119.03, 0.00312722/step, 2.40692 hours remaining, 233.683594 MB of memory in use. ENERGY: 2229200 3950.1323 20659.4644 14413.2140 235.5322 -203262.8736 2328.6521 0.0000 0.0000 51922.8098 -109753.0689 298.4011 -161675.8787 -109394.6006 298.8667 -102.9266 -70.6499 759692.3396 -4.1315 -3.9823 PRESSURE: 2229400 325.176 69.6751 44.3842 69.6753 -2.08017 224.953 44.3843 224.953 142.656 GPRESSURE: 2229400 370.021 61.8724 37.783 76.4841 56.4473 142.831 14.1222 287.686 133.271 PRESSAVG: 2229400 11.1002 20.9625 20.569 20.9625 6.95457 14.3221 20.5691 14.3221 -2.21958 GPRESSAVG: 2229400 10.2057 19.8102 19.0732 19.3478 8.80899 14.7059 22.6974 15.26 -3.2376 TIMING: 2229400 CPU: 7119.65, 0.00312761/step Wall: 7119.65, 0.00312761/step, 2.40704 hours remaining, 233.683594 MB of memory in use. ENERGY: 2229400 3913.2630 20619.6220 14428.5863 257.1160 -203822.7739 2842.8170 0.0000 0.0000 51758.5056 -110002.8641 297.4568 -161761.3697 -109638.6442 298.7641 155.2508 186.5798 758574.7827 5.2784 5.2590 PRESSURE: 2229600 25.6723 6.72192 156.32 6.72218 37.0978 46.7257 156.32 46.7247 182.914 GPRESSURE: 2229600 30.0794 61.8416 90.2236 -41.7829 119.068 75.3412 197.174 1.90538 186.067 PRESSAVG: 2229600 17.1109 -6.06189 36.7767 -6.06188 -6.4796 -44.8807 36.7767 -44.8806 -8.29966 GPRESSAVG: 2229600 15.7926 -4.66864 37.5697 -5.08942 -7.02577 -45.9388 35.3192 -45.8697 -6.22247 TIMING: 2229600 CPU: 7120.28, 0.00314726/step Wall: 7120.28, 0.00314726/step, 2.42199 hours remaining, 233.683594 MB of memory in use. ENERGY: 2229600 3904.3317 20544.7913 14448.6627 275.8832 -203621.2508 2436.1861 0.0000 0.0000 51933.5646 -110077.8313 298.4629 -162011.3958 -109724.2298 298.0218 81.8949 111.7382 760378.9318 0.7772 0.8481 PRESSURE: 2229800 88.4412 87.7882 -64.9728 87.7882 -76.4191 51.1766 -64.9713 51.1767 -235.091 GPRESSURE: 2229800 178.992 184.239 -64.4411 82.048 -150.173 143.82 21.9133 148.081 -174.273 PRESSAVG: 2229800 37.5033 -22.3928 -5.11641 -22.3928 -26.8603 -24.5628 -5.11638 -24.5627 32.6296 GPRESSAVG: 2229800 38.0923 -20.8445 -6.82354 -23.5819 -26.8141 -23.4205 -4.09737 -23.4658 31.5647 TIMING: 2229800 CPU: 7120.91, 0.00315177/step Wall: 7120.91, 0.00315177/step, 2.42528 hours remaining, 233.683594 MB of memory in use. ENERGY: 2229800 4060.3583 20491.7404 14448.3813 243.5217 -203553.2649 2366.5881 0.0000 0.0000 51812.9195 -110129.7557 297.7696 -161942.6752 -109757.8179 298.2962 -74.3563 -48.4844 758380.8095 14.4242 14.2809 PRESSURE: 2230000 178.386 84.9807 -77.1089 84.9801 164.782 -130.387 -77.1092 -130.387 287.946 GPRESSURE: 2230000 201.36 158.821 -110.753 57.1804 207.739 -162.023 -94.0613 -190.228 294.202 PRESSAVG: 2230000 -37.7354 -61.6126 27.8944 -61.6125 34.5238 -1.32912 27.8944 -1.32927 -17.3447 GPRESSAVG: 2230000 -36.729 -62.3173 30.0381 -60.3058 34.1321 -1.62378 26.2635 -2.15721 -17.9396 TIMING: 2230000 CPU: 7121.54, 0.00314106/step Wall: 7121.54, 0.00314106/step, 2.41687 hours remaining, 233.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2230000 3901.0093 20534.7931 14463.8024 252.3591 -203672.8305 2538.7692 0.0000 0.0000 51925.4283 -110056.6690 298.4162 -161982.0973 -109697.4512 298.0633 210.3715 234.4335 759204.5414 -6.8521 -6.8455 PRESSURE: 2230200 -374.35 -88.1661 7.70628 -88.167 -224.36 -33.7621 7.70635 -33.7623 -190.615 GPRESSURE: 2230200 -375.358 -82.6078 112.413 -63.1411 -229.109 -22.6736 -65.7642 -34.8913 -106.563 PRESSAVG: 2230200 -0.46163 -18.8893 -22.3157 -18.8894 -10.1477 11.3742 -22.3158 11.3743 -17.6872 GPRESSAVG: 2230200 -0.39061 -20.6257 -21.578 -17.9567 -10.5939 10.5817 -21.918 11.5692 -17.5171 TIMING: 2230200 CPU: 7122.17, 0.00313779/step Wall: 7122.17, 0.00313779/step, 2.41418 hours remaining, 233.683594 MB of memory in use. ENERGY: 2230200 4014.8081 20352.8900 14420.2177 246.2801 -203363.4451 2300.6954 0.0000 0.0000 51882.8188 -110145.7350 298.1713 -162028.5538 -109785.3438 297.8772 -263.1084 -237.0101 760227.3104 -9.4322 -9.5005 PRESSURE: 2230400 247.302 -122.027 -231.258 -122.027 -114.162 100.156 -231.258 100.157 257.147 GPRESSURE: 2230400 298.46 -79.0833 -223.816 -60.1178 -5.03407 122.409 -185.287 213.345 182.501 PRESSAVG: 2230400 -44.103 -21.2708 -35.2268 -21.2708 11.9645 -38.6851 -35.2269 -38.6851 -5.91654 GPRESSAVG: 2230400 -44.4657 -21.9504 -36.9356 -20.6123 12.5042 -37.9573 -35.5635 -37.8398 -6.96569 TIMING: 2230400 CPU: 7122.8, 0.00314577/step Wall: 7122.8, 0.00314577/step, 2.42015 hours remaining, 233.683594 MB of memory in use. ENERGY: 2230400 3947.2540 20530.0288 14418.0326 232.4774 -203279.1621 2338.4020 0.0000 0.0000 51751.0924 -110061.8749 297.4142 -161812.9673 -109702.2710 297.6713 130.0956 158.6424 761273.6550 -12.6850 -12.9757 PRESSURE: 2230600 117.84 -76.3988 32.8642 -76.3994 133.026 115.158 32.8642 115.157 177.996 GPRESSURE: 2230600 168.925 -133.695 62.4415 -211.388 144.446 135.879 -123.785 94.6374 218.038 PRESSAVG: 2230600 18.1054 14.2366 -14.5221 14.2366 -24.8389 -4.12708 -14.5221 -4.12699 9.79707 GPRESSAVG: 2230600 18.4972 14.3018 -14.0232 12.1443 -25.3366 -2.94315 -14.5355 -5.61942 10.2817 TIMING: 2230600 CPU: 7123.43, 0.00314677/step Wall: 7123.43, 0.00314677/step, 2.42074 hours remaining, 233.683594 MB of memory in use. ENERGY: 2230600 4003.9317 20272.2041 14459.4446 242.3002 -203730.4513 2924.7704 0.0000 0.0000 51794.8288 -110032.9715 297.6656 -161827.8003 -109670.3757 297.8750 142.9541 177.1364 760169.8587 1.0212 1.1474 PRESSURE: 2230800 -111.665 -57.301 -59.479 -57.3004 -267.638 57.4757 -59.4788 57.4758 -14.6757 GPRESSURE: 2230800 -216.933 -20.5879 -113.09 -116.114 -159.077 97.6757 -155.056 90.2919 51.1725 PRESSAVG: 2230800 -21.6429 -39.8699 24.9786 -39.8698 11.5868 38.6988 24.9786 38.6989 23.7036 GPRESSAVG: 2230800 -22.2087 -38.3706 23.27 -39.9995 12.3002 38.0099 26.7916 40.3414 23.2704 TIMING: 2230800 CPU: 7124.05, 0.00312404/step Wall: 7124.05, 0.00312404/step, 2.40308 hours remaining, 233.683594 MB of memory in use. ENERGY: 2230800 3908.7026 20586.3294 14400.6219 257.8966 -203366.0075 2284.2186 0.0000 0.0000 51912.6553 -110015.5831 298.3427 -161928.2385 -109653.0387 298.5573 -131.3263 -108.2792 759334.8232 4.5492 4.4540 PRESSURE: 2231000 159.424 41.2719 -152.294 41.2718 -95.1092 54.4454 -152.294 54.4445 -296.58 GPRESSURE: 2231000 214.669 121.916 -175.182 66.1643 -132.375 117.988 -118.576 12.2503 -229.846 PRESSAVG: 2231000 33.7014 -26.1599 -23.3297 -26.1598 -2.7912 39.7303 -23.3297 39.7302 -10.847 GPRESSAVG: 2231000 33.2159 -28.3016 -23.4254 -25.7862 -1.77188 38.6596 -23.2568 38.3342 -10.8805 TIMING: 2231000 CPU: 7124.68, 0.003145/step Wall: 7124.68, 0.003145/step, 2.41903 hours remaining, 233.683594 MB of memory in use. ENERGY: 2231000 3928.3128 20460.4285 14456.7906 226.8676 -203621.4101 2588.6450 0.0000 0.0000 51868.6303 -110091.7354 298.0897 -161960.3657 -109725.2174 298.2180 -77.4220 -49.1841 759438.6093 6.6877 6.8545 PRESSURE: 2231200 -95.6539 -217.631 -32.2876 -217.631 260.575 166.023 -32.288 166.023 -357 GPRESSURE: 2231200 -36.1755 -143.076 79.3272 -141.186 228.544 99.6005 -32.6386 228.255 -292.466 PRESSAVG: 2231200 -16.0342 7.05499 -14.6754 7.05504 -4.10711 -20.0412 -14.6754 -20.0412 12.6192 GPRESSAVG: 2231200 -14.0886 10.2603 -14.1447 7.92489 -6.09749 -18.3204 -15.3471 -20.6815 13.2988 TIMING: 2231200 CPU: 7125.31, 0.00313891/step Wall: 7125.31, 0.00313891/step, 2.41417 hours remaining, 233.683594 MB of memory in use. ENERGY: 2231200 3929.9142 20369.2554 14405.9752 242.0209 -203512.1987 2653.8730 0.0000 0.0000 51959.1406 -109952.0194 298.6099 -161911.1600 -109586.5137 298.2264 -64.0264 -33.3661 760050.5967 -2.5074 -2.2957 PRESSURE: 2231400 112.225 110.207 -30.75 110.207 -89.0524 315.171 -30.7499 315.171 17.2017 GPRESSURE: 2231400 159.491 24.8107 68.1958 35.7462 -55.0235 251.304 -84.5061 179.619 19.1016 PRESSAVG: 2231400 10.9023 17.0779 -49.1723 17.0778 -36.4425 -6.94924 -49.1722 -6.94932 -11.4713 GPRESSAVG: 2231400 9.92851 15.6911 -46.0355 17.8603 -35.9484 -7.40795 -48.7839 -7.42491 -11.0697 TIMING: 2231400 CPU: 7125.94, 0.00313898/step Wall: 7125.94, 0.00313898/step, 2.41405 hours remaining, 233.683594 MB of memory in use. ENERGY: 2231400 4021.4407 20531.5638 14379.4130 262.3602 -202919.1285 2160.3392 0.0000 0.0000 51705.5937 -109858.4179 297.1528 -161564.0116 -109497.9279 298.3069 13.4582 41.1896 759725.2572 -12.3371 -12.3632 PRESSURE: 2231600 -46.2322 -217.937 101.314 -217.937 36.2997 -14.7831 101.314 -14.7842 -123.281 GPRESSURE: 2231600 -19.1 -158.656 85.1727 -295.859 10.1467 21.7606 32.2505 38.0403 -32.2002 PRESSAVG: 2231600 73.0971 -40.2864 -69.5315 -40.2864 -59.8177 41.707 -69.5316 41.7069 4.2885 GPRESSAVG: 2231600 72.4415 -40.089 -71.6801 -40.7253 -59.6231 42.7139 -68.7929 44.3259 4.78207 TIMING: 2231600 CPU: 7126.57, 0.00315531/step Wall: 7126.57, 0.00315531/step, 2.42643 hours remaining, 233.683594 MB of memory in use. ENERGY: 2231600 4042.0942 20549.4993 14446.4195 248.3209 -203468.1084 2610.9200 0.0000 0.0000 51919.8706 -109650.9840 298.3842 -161570.8546 -109294.3249 298.4806 -44.4044 -13.7178 759649.9013 5.8559 5.8668 PRESSURE: 2231800 -147.386 -19.0475 109.142 -19.047 181.695 -52.1216 109.143 -52.1212 -250.364 GPRESSURE: 2231800 -179.246 205.403 169.895 -36.4208 223.942 -76.6703 193.275 26.56 -195.358 PRESSAVG: 2231800 -32.2219 -57.2513 -71.5551 -57.2513 -12.1744 18.9643 -71.5551 18.9643 -8.25406 GPRESSAVG: 2231800 -30.4944 -57.0646 -70.2059 -57.8454 -13.6062 16.2271 -71.3856 17.8286 -8.49132 TIMING: 2231800 CPU: 7127.2, 0.0031442/step Wall: 7127.2, 0.0031442/step, 2.41772 hours remaining, 233.683594 MB of memory in use. ENERGY: 2231800 4017.0072 20681.4296 14480.1247 253.5251 -203506.9389 2432.9641 0.0000 0.0000 51820.7963 -109821.0920 297.8148 -161641.8882 -109463.5495 298.6139 -72.0185 -50.2206 759738.9765 -17.5501 -17.5306 PRESSURE: 2232000 -123.323 -95.3196 225.385 -95.3199 -231.773 60.4259 225.384 60.425 163.308 GPRESSURE: 2232000 -33.6191 -1.17019 226.217 -83.0812 -163.243 100.965 205.605 167.602 87.7507 PRESSAVG: 2232000 -2.71074 -7.19004 -40.5677 -7.19002 15.1426 -45.9612 -40.5676 -45.9612 6.30154 GPRESSAVG: 2232000 -3.48837 -7.14699 -44.538 -4.98863 16.2542 -44.1285 -39.9734 -45.401 5.68934 TIMING: 2232000 CPU: 7127.82, 0.00312577/step Wall: 7127.82, 0.00312577/step, 2.40337 hours remaining, 233.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2232000 4048.6827 20572.3421 14540.4577 234.6571 -203988.2796 2768.6361 0.0000 0.0000 52242.1549 -109581.3490 300.2364 -161823.5040 -109211.9375 299.3782 -63.9295 -36.3706 760287.0107 6.2445 6.1517 PRESSURE: 2232200 -24.8678 239.826 -34.7813 239.826 -5.6354 0.487166 -34.7811 0.486477 291.181 GPRESSURE: 2232200 11.5779 44.8062 22.97 222.758 38.6546 -10.2223 -62.4568 17.7822 300.021 PRESSAVG: 2232200 14.9701 -24.7852 21.5687 -24.7851 -54.2453 28.9513 21.5687 28.9512 1.80298 GPRESSAVG: 2232200 14.3363 -27.169 25.3072 -26.7981 -53.9713 29.6387 20.7 28.6502 1.91209 TIMING: 2232200 CPU: 7128.45, 0.0031349/step Wall: 7128.45, 0.0031349/step, 2.41021 hours remaining, 233.683594 MB of memory in use. ENERGY: 2232200 3998.2299 20636.9615 14483.1283 247.4744 -204025.7543 2756.7076 0.0000 0.0000 52278.9100 -109624.3426 300.4476 -161903.2526 -109256.4369 299.6840 86.8928 116.7511 760162.7401 -12.4907 -12.5743 LDB: ============= START OF LOAD BALANCING ============== 7140.87 LDB: ============== END OF LOAD BALANCING =============== 7140.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7140.87 LDB: ============= START OF LOAD BALANCING ============== 7141.19 LDB: Largest compute 7074 load 0.033743 is 17.3% of average load 0.195464 LDB: Average compute 0.004398 is 2.3% of average load 0.195464 LDB: TIME 7141.19 LOAD: AVG 0.195464 MAX 0.2138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.797 MB LDB: TIME 7141.19 LOAD: AVG 0.195464 MAX 0.2138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.797 MB LDB: TIME 7141.19 LOAD: AVG 0.195464 MAX 0.2138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.797 MB LDB: ============== END OF LOAD BALANCING =============== 7141.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7141.2 PRESSURE: 2232400 -328.516 -317.106 -42.5461 -317.106 23.8867 -86.9555 -42.5457 -86.9544 233.406 GPRESSURE: 2232400 -286.2 -435.888 -44.8967 -382.673 77.5231 -2.17395 -65.7675 -49.9584 226.815 PRESSAVG: 2232400 37.0601 -5.68805 4.82636 -5.68797 -43.6171 -3.32591 4.82633 -3.32585 5.81189 GPRESSAVG: 2232400 36.558 -4.83762 4.15817 -2.03503 -42.1058 -3.38625 5.54227 -3.4284 5.23118 TIMING: 2232400 CPU: 7129.09, 0.00321595/step Wall: 7129.09, 0.00321595/step, 2.47235 hours remaining, 232.851562 MB of memory in use. ENERGY: 2232400 3967.9677 20504.7814 14538.6926 265.4245 -203949.2473 2610.5804 0.0000 0.0000 52162.2061 -109899.5945 299.7769 -162061.8007 -109525.4450 299.7464 -23.7412 6.0459 757259.3075 -0.2483 -0.1055 PRESSURE: 2232600 -81.1568 -19.4423 75.0198 -19.4429 -361.47 -34.95 75.0192 -34.95 337.741 GPRESSURE: 2232600 -24.986 -52.1698 105 6.00496 -314.163 -118.018 208.145 63.888 346.709 PRESSAVG: 2232600 45.146 -40.6126 19.7802 -40.6127 -30.7085 -33.191 19.7803 -33.1912 -14.9239 GPRESSAVG: 2232600 46.9997 -39.4483 17.6401 -42.8218 -33.2473 -34.8857 19.6012 -31.9056 -14.11 TIMING: 2232600 CPU: 7129.72, 0.00313914/step Wall: 7129.72, 0.00313914/step, 2.41313 hours remaining, 232.992188 MB of memory in use. ENERGY: 2232600 3966.3494 20668.8425 14483.5814 252.4004 -203891.3915 2761.2606 0.0000 0.0000 52011.2851 -109747.6722 298.9096 -161758.9573 -109380.7335 299.4362 -34.9619 2.5200 760103.0506 -0.1621 -0.1192 PRESSURE: 2232800 244.358 -215.248 -38.0191 -215.247 -38.4691 83.3481 -38.018 83.3488 -365.279 GPRESSURE: 2232800 252.114 -131.239 -101.411 -222.503 -69.2647 96.1501 -57.7846 215.932 -279.006 PRESSAVG: 2232800 84.4455 -13.0186 -27.231 -13.0185 -63.7453 29.9237 -27.2311 29.9237 4.86464 GPRESSAVG: 2232800 83.4998 -14.0637 -27.5677 -11.2863 -63.8826 31.4991 -27.8106 28.0424 5.60337 TIMING: 2232800 CPU: 7130.35, 0.00313899/step Wall: 7130.35, 0.00313899/step, 2.41284 hours remaining, 232.992188 MB of memory in use. ENERGY: 2232800 3959.4392 20563.8734 14525.7954 251.1528 -204164.6321 2847.1344 0.0000 0.0000 52120.3865 -109896.8504 299.5366 -162017.2369 -109532.7233 298.8296 -53.1299 -32.0521 759642.0590 8.5216 8.4069 PRESSURE: 2233000 -105.405 -89.7771 -73.3313 -89.778 -322.116 -172.712 -73.3308 -172.712 -71.9414 GPRESSURE: 2233000 -91.7963 -161.575 -80.8433 -75.654 -293.683 -200.58 -92.0496 -117.72 -46.5649 PRESSAVG: 2233000 64.5681 -52.8646 22.4958 -52.8647 -50.5317 0.21142 22.4959 0.21135 -0.339018 GPRESSAVG: 2233000 65.1008 -51.4353 23.0814 -53.843 -50.2365 -1.55453 22.2077 1.50832 -1.07973 TIMING: 2233000 CPU: 7130.97, 0.00313193/step Wall: 7130.97, 0.00313193/step, 2.40724 hours remaining, 232.992188 MB of memory in use. ENERGY: 2233000 3995.5397 20761.7157 14470.4346 231.0231 -203751.6408 2468.0921 0.0000 0.0000 51884.6369 -109940.1987 298.1817 -161824.8356 -109584.6126 298.7069 -166.4875 -144.0149 760683.4110 4.5658 4.5948 PRESSURE: 2233200 -2.09288 -241.752 -118.289 -241.753 89.5397 -5.73731 -118.29 -5.73764 -198.031 GPRESSURE: 2233200 39.7052 -116.022 -122.67 -214.167 150.984 -103.132 -135.342 -58.8474 -255.494 PRESSAVG: 2233200 36.9331 -92.4599 8.20099 -92.4599 -14.842 27.3093 8.201 27.3093 13.4169 GPRESSAVG: 2233200 36.8513 -91.441 10.0266 -93.4976 -14.1469 27.6908 7.55786 27.3979 12.7564 TIMING: 2233200 CPU: 7131.6, 0.00313539/step Wall: 7131.6, 0.00313539/step, 2.40972 hours remaining, 232.992188 MB of memory in use. ENERGY: 2233200 4035.5507 20331.2674 14438.5327 241.2174 -204059.7344 3010.5512 0.0000 0.0000 51947.4545 -110055.1605 298.5427 -162002.6150 -109694.5760 298.5887 -36.8614 -21.6017 762180.0787 11.8360 11.8203 PRESSURE: 2233400 152.756 2.82517 135.207 2.82561 108.045 130.894 135.208 130.893 11.0007 GPRESSURE: 2233400 49.3555 10.1784 192.07 21.3837 213.035 83.2239 49.2346 119.4 101.304 PRESSAVG: 2233400 -50.1608 -12.3503 32.8075 -12.3502 -4.41531 20.4887 32.8075 20.4887 -2.41869 GPRESSAVG: 2233400 -51.2709 -12.0122 30.6659 -13.1366 -3.08842 21.9207 33.9555 18.2864 -2.64411 TIMING: 2233400 CPU: 7132.23, 0.00313272/step Wall: 7132.23, 0.00313272/step, 2.4075 hours remaining, 232.992188 MB of memory in use. ENERGY: 2233400 3987.9115 20384.1789 14454.3324 236.5622 -204166.6858 2894.4189 0.0000 0.0000 51966.1007 -110243.1812 298.6499 -162209.2819 -109880.8031 297.8973 90.6004 121.2313 761542.0064 -18.9983 -19.0011 PRESSURE: 2233600 -100.871 29.9978 -97.4751 29.9978 -372.292 -230.175 -97.4756 -230.175 312.168 GPRESSURE: 2233600 -67.0273 49.0917 -55.3616 -55.9289 -281.012 -198.216 -128.703 -170.406 291.13 PRESSAVG: 2233600 -16.3624 -30.8156 14.9623 -30.8156 -3.02281 62.5958 14.9623 62.5958 25.6873 GPRESSAVG: 2233600 -15.9466 -32.1799 17.219 -31.0973 -4.32906 62.7188 16.8381 64.4025 26.8709 TIMING: 2233600 CPU: 7132.86, 0.00314424/step Wall: 7132.86, 0.00314424/step, 2.41618 hours remaining, 232.992188 MB of memory in use. ENERGY: 2233600 3921.0965 20250.4011 14516.6984 241.9552 -203705.2554 2700.6556 0.0000 0.0000 51741.7440 -110332.7045 297.3605 -162074.4485 -109974.7813 297.4467 -53.6649 -18.9697 761586.4963 2.1007 2.1984 PRESSURE: 2233800 -110.003 183.866 -91.3238 183.866 -190.098 61.4031 -91.3237 61.4032 -73.3945 GPRESSURE: 2233800 -79.3933 173.786 -181.013 118.792 -99.261 72.8077 -239.915 28.2561 -97.6013 PRESSAVG: 2233800 -7.30962 -39.0446 11.4327 -39.0446 14.4659 23.1193 11.4327 23.1193 -9.14198 GPRESSAVG: 2233800 -7.48337 -38.7104 9.08838 -37.3552 14.7772 24.6809 10.8737 22.3035 -9.60275 TIMING: 2233800 CPU: 7133.48, 0.0031271/step Wall: 7133.48, 0.0031271/step, 2.40283 hours remaining, 232.992188 MB of memory in use. ENERGY: 2233800 3966.9624 20417.3122 14454.5162 246.5751 -203527.4661 2452.5630 0.0000 0.0000 51910.0195 -110079.5177 298.3276 -161989.5372 -109711.4171 297.9162 -124.4986 -92.0852 760291.2811 -0.6619 -0.7696 PRESSURE: 2234000 -92.1885 141.634 72.0738 141.633 91.7556 -19.4665 72.0737 -19.4658 -4.67043 GPRESSURE: 2234000 -126.749 51.4287 75.6303 173.428 134.623 57.7492 24.3733 -52.1662 62.1952 PRESSAVG: 2234000 18.0691 -20.5849 -14.3575 -20.5849 -8.73295 -7.11905 -14.3575 -7.11908 -0.100034 GPRESSAVG: 2234000 17.2472 -21.6461 -11.0738 -21.3786 -9.37361 -9.40954 -16.3047 -4.40463 0.831871 TIMING: 2234000 CPU: 7134.11, 0.00314236/step Wall: 7134.11, 0.00314236/step, 2.41438 hours remaining, 232.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2234000 4035.6326 20450.6445 14546.5557 228.6207 -203740.0063 2549.3360 0.0000 0.0000 51918.8918 -110010.3250 298.3786 -161929.2168 -109656.1393 298.2580 -1.7011 23.3563 760397.3813 3.0787 2.9018 PRESSURE: 2234200 -475.584 -41.1839 -55.9768 -41.1832 -111.338 155.755 -55.9766 155.755 222.074 GPRESSURE: 2234200 -312.215 10.3533 -72.5937 -115.183 -99.1299 74.9377 127.395 -7.47022 139.794 PRESSAVG: 2234200 48.6326 17.5662 -49.9718 17.5662 -21.6355 74.5924 -49.9718 74.5924 -8.65801 GPRESSAVG: 2234200 49.4579 17.7054 -50.5953 19.6738 -20.6233 74.3682 -49.4344 70.3696 -10.628 TIMING: 2234200 CPU: 7134.74, 0.00312932/step Wall: 7134.74, 0.00312932/step, 2.40418 hours remaining, 232.992188 MB of memory in use. ENERGY: 2234200 3980.6595 20355.5076 14433.2912 248.3963 -203508.8749 2602.1666 0.0000 0.0000 51952.6276 -109936.2261 298.5725 -161888.8537 -109551.9566 298.3165 -121.6159 -90.5170 761382.7953 6.1130 6.0689 PRESSURE: 2234400 -34.7673 24.9869 130.927 24.9871 -52.0263 76.7912 130.928 76.7922 112.284 GPRESSURE: 2234400 60.6538 -127.268 163.913 11.3725 -96.5439 9.71483 139.341 209.884 160.543 PRESSAVG: 2234400 31.9914 5.55602 1.8655 5.55609 -1.27352 17.43 1.86546 17.43 23.6377 GPRESSAVG: 2234400 32.0583 5.52385 0.771551 3.38231 -3.05656 16.7164 4.18723 20.2584 25.3319 TIMING: 2234400 CPU: 7135.36, 0.00313801/step Wall: 7135.36, 0.00313801/step, 2.41069 hours remaining, 232.992188 MB of memory in use. ENERGY: 2234400 3965.1736 20319.4393 14519.2148 256.7319 -203566.9993 2767.9429 0.0000 0.0000 51747.6625 -109990.8343 297.3945 -161738.4967 -109626.9539 297.8610 8.4967 41.5508 761026.2519 18.1185 18.1112 PRESSURE: 2234600 34.9239 -90.4506 -154.601 -90.4513 -222.08 -40.3069 -154.6 -40.3074 -205.139 GPRESSURE: 2234600 14.1057 0.337842 -107.524 -121.174 -162.986 -65.2308 -164.625 1.52339 -150.349 PRESSAVG: 2234600 25.5258 -14.845 6.87168 -14.8451 -57.2889 26.7431 6.87159 26.7431 -21.5446 GPRESSAVG: 2234600 24.4669 -15.4636 7.20827 -14.6533 -55.5232 27.267 7.59395 26.9059 -22.2565 TIMING: 2234600 CPU: 7135.99, 0.00315557/step Wall: 7135.99, 0.00315557/step, 2.424 hours remaining, 232.992188 MB of memory in use. ENERGY: 2234600 4006.0236 20668.9297 14435.1712 245.5378 -203660.7187 2560.5088 0.0000 0.0000 51943.1690 -109801.3786 298.5181 -161744.5475 -109442.9026 297.9473 -130.7650 -99.7432 760554.5296 -17.7692 -17.7709 PRESSURE: 2234800 -156.913 11.7053 -250.166 11.7052 -101.806 -45.7053 -250.167 -45.7049 252.89 GPRESSURE: 2234800 -246.481 -56.9393 -317.987 -2.18949 96.9052 -152.184 -280.824 -129.025 237.838 PRESSAVG: 2234800 13.1978 -41.4639 -36.6209 -41.4639 -38.5942 -17.2708 -36.6209 -17.2708 -4.25817 GPRESSAVG: 2234800 13.9545 -41.6515 -37.4751 -43.1784 -39.1931 -16.9057 -37.6651 -17.9548 -4.57102 TIMING: 2234800 CPU: 7136.62, 0.00313536/step Wall: 7136.62, 0.00313536/step, 2.40831 hours remaining, 232.992188 MB of memory in use. ENERGY: 2234800 3962.7940 20423.6953 14446.7551 223.8760 -203472.2768 2470.2976 0.0000 0.0000 51951.9084 -109992.9503 298.5683 -161944.8587 -109638.2927 298.3158 -1.9430 29.4208 760807.2917 -9.8849 -9.9365 PRESSURE: 2235000 -271.889 -45.5516 -118.557 -45.5518 -197.581 116.671 -118.557 116.672 -50.981 GPRESSURE: 2235000 -251.947 56.8286 -37.6046 -92.29 -90.1534 88.7783 -258.917 136.249 -68.1024 PRESSAVG: 2235000 41.2025 -70.3174 -20.943 -70.3174 -20.5291 30.0722 -20.943 30.0722 -27.5431 GPRESSAVG: 2235000 41.3919 -68.7213 -19.7621 -67.6196 -21.0637 29.4385 -23.7915 30.2066 -27.5531 TIMING: 2235000 CPU: 7137.25, 0.0031359/step Wall: 7137.25, 0.0031359/step, 2.40855 hours remaining, 232.992188 MB of memory in use. ENERGY: 2235000 3986.2438 20420.2511 14393.0291 260.1847 -203033.9075 2179.0392 0.0000 0.0000 51940.7115 -109854.4482 298.5040 -161795.1597 -109480.4717 298.6428 -173.4838 -136.7341 761699.7288 -2.2899 -2.4083 PRESSURE: 2235200 281.279 -118.728 26.1087 -118.728 -36.3377 -45.6513 26.1081 -45.6512 -195.538 GPRESSURE: 2235200 305.843 -160.075 33.5343 -104.995 -41.8627 -67.349 29.7347 -48.7973 -138.807 PRESSAVG: 2235200 2.56502 -68.8826 -8.80592 -68.8825 -56.1661 56.0981 -8.80601 56.0981 -8.77584 GPRESSAVG: 2235200 2.74085 -69.938 -10.3581 -71.0432 -56.2093 56.6993 -6.95976 56.4288 -9.12248 TIMING: 2235200 CPU: 7137.88, 0.00313443/step Wall: 7137.88, 0.00313443/step, 2.40724 hours remaining, 232.992188 MB of memory in use. ENERGY: 2235200 4010.5401 20484.4896 14401.3712 247.1818 -203759.8972 2768.6415 0.0000 0.0000 52226.7229 -109620.9500 300.1477 -161847.6729 -109257.3318 298.8539 16.4678 41.7242 760443.9230 -20.7923 -20.8637 PRESSURE: 2235400 254.438 -91.5876 -150.199 -91.5871 166.96 29.0263 -150.199 29.0255 86.4012 GPRESSURE: 2235400 344.473 4.1902 -142.6 -15.6327 199.357 39.0988 -142.523 119.201 39.6646 PRESSAVG: 2235400 57.7912 -93.3957 -29.2451 -93.3957 -32.9798 1.14058 -29.2451 1.14065 -23.5582 GPRESSAVG: 2235400 58.02 -91.1407 -28.1923 -93.4066 -33.7005 0.772574 -29.1397 1.06351 -23.058 TIMING: 2235400 CPU: 7138.51, 0.00315365/step Wall: 7138.51, 0.00315365/step, 2.42183 hours remaining, 232.992188 MB of memory in use. ENERGY: 2235400 3930.7072 20460.3162 14463.9553 231.1524 -203429.8610 2804.9159 0.0000 0.0000 52009.8308 -109528.9830 298.9012 -161538.8139 -109162.6241 299.1352 169.2667 194.4982 760310.2396 0.4177 0.4205 PRESSURE: 2235600 -5.20043 127.629 81.2017 127.629 -288.022 -169.012 81.2018 -169.011 -683.766 GPRESSURE: 2235600 -23.5722 -56.6712 77.3992 44.7798 -220.337 -185.172 157.064 -43.7416 -657.206 PRESSAVG: 2235600 -12.7863 -78.6737 -1.6393 -78.6737 4.69013 17.9054 -1.63925 17.9055 -4.93617 GPRESSAVG: 2235600 -13.6338 -81.4619 -1.85754 -76.6248 5.99307 19.3179 -3.3516 18.0861 -5.93814 TIMING: 2235600 CPU: 7139.14, 0.00315214/step Wall: 7139.14, 0.00315214/step, 2.42049 hours remaining, 232.992188 MB of memory in use. ENERGY: 2235600 3992.1857 20637.0296 14432.5795 255.7817 -203272.7416 2314.3994 0.0000 0.0000 52140.4662 -109500.2995 299.6520 -161640.7657 -109132.4466 299.3479 -325.6628 -300.3717 760108.6950 -4.3441 -4.5263 PRESSURE: 2235800 28.126 38.4262 -347.434 38.427 -310.683 249.016 -347.434 249.017 -10.8112 GPRESSURE: 2235800 -79.2349 -7.34626 -337.992 53.1248 -133.221 251.087 -372.863 173.969 16.7303 PRESSAVG: 2235800 6.3518 -57.7165 -36.547 -57.7165 -5.49814 34.7983 -36.5469 34.7983 -13.0964 GPRESSAVG: 2235800 5.81283 -54.6272 -36.7536 -59.1502 -4.97464 33.7615 -33.3166 33.305 -12.9523 TIMING: 2235800 CPU: 7139.76, 0.00314057/step Wall: 7139.76, 0.00314057/step, 2.41143 hours remaining, 232.992188 MB of memory in use. ENERGY: 2235800 3891.6470 20403.4308 14414.4137 264.1276 -203397.6472 2573.8357 0.0000 0.0000 52292.2017 -109557.9908 300.5240 -161850.1925 -109194.0480 299.4626 -97.7895 -65.2417 759609.5650 -4.0809 -4.0380 PRESSURE: 2236000 -95.216 38.1397 -103.003 38.1392 -117.176 247.418 -103.003 247.418 -117.875 GPRESSURE: 2236000 30.179 110.782 -89.5344 23.4746 -182.554 121.83 -77.905 273.622 -99.9538 PRESSAVG: 2236000 -36.8674 -24.5499 -77.2907 -24.5498 6.24317 7.28395 -77.2908 7.28393 9.66019 GPRESSAVG: 2236000 -36.1935 -25.7222 -76.6946 -24.9989 4.80173 8.25373 -78.8159 8.11344 10.0275 TIMING: 2236000 CPU: 7140.39, 0.00315119/step Wall: 7140.39, 0.00315119/step, 2.41941 hours remaining, 232.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2236000 3987.9237 20492.5533 14460.1398 242.5832 -203355.5220 2533.0527 0.0000 0.0000 52210.2907 -109428.9785 300.0533 -161639.2692 -109061.8590 299.4963 -110.0889 -84.1097 759582.5376 -6.9880 -7.1214 PRESSURE: 2236200 -257.678 -103.679 34.2764 -103.679 -125.24 130.804 34.2767 130.804 160.513 GPRESSURE: 2236200 -258.765 -223.133 20.8379 -163.221 -96.6637 190.573 23.6091 106.502 207.794 PRESSAVG: 2236200 32.7582 -24.7443 -66.8439 -24.7443 -46.8026 2.74947 -66.8439 2.74939 -0.251775 GPRESSAVG: 2236200 31.8963 -25.2411 -66.4017 -24.596 -45.9399 -0.332811 -66.4981 4.29273 -0.239591 TIMING: 2236200 CPU: 7141.02, 0.00313847/step Wall: 7141.02, 0.00313847/step, 2.40948 hours remaining, 232.992188 MB of memory in use. ENERGY: 2236200 4023.7259 20451.0804 14420.1446 257.0363 -203096.9548 2575.1083 0.0000 0.0000 52165.4555 -109204.4039 299.7956 -161369.8594 -108829.6968 300.2014 -74.1349 -49.2115 762000.2503 -4.7654 -4.7611 LDB: ============= START OF LOAD BALANCING ============== 7153.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7153.44 LDB: =============== DONE WITH MIGRATION ================ 7153.44 LDB: ============= START OF LOAD BALANCING ============== 7153.76 LDB: Largest compute 7067 load 0.033503 is 17.1% of average load 0.195482 LDB: Average compute 0.004382 is 2.2% of average load 0.195482 LDB: TIME 7153.76 LOAD: AVG 0.195482 MAX 0.213097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 7153.76 LOAD: AVG 0.195482 MAX 0.213097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: TIME 7153.76 LOAD: AVG 0.195482 MAX 0.213097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: ============== END OF LOAD BALANCING =============== 7153.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7153.77 PRESSURE: 2236400 6.13263 131.978 -199.86 131.979 294.998 75.7373 -199.86 75.7382 121.291 GPRESSURE: 2236400 167.122 195.055 -284.594 81.9176 227.358 80.8022 -147.796 99.7237 129.147 PRESSAVG: 2236400 24.1864 23.7764 -9.90875 23.7765 -15.7908 56.0125 -9.90872 56.0125 -7.79607 GPRESSAVG: 2236400 26.844 23.8737 -10.2375 22.6166 -17.8183 57.2917 -8.71135 55.1996 -8.43658 TIMING: 2236400 CPU: 7141.66, 0.00319226/step Wall: 7141.66, 0.00319226/step, 2.45059 hours remaining, 232.792969 MB of memory in use. ENERGY: 2236400 4008.7596 20553.2924 14535.2778 251.5780 -203733.8543 2896.6905 0.0000 0.0000 52216.0284 -109272.2277 300.0862 -161488.2560 -108897.7254 299.9092 140.8071 174.5424 759921.2743 0.1998 0.1964 PRESSURE: 2236600 -421.229 2.96042 6.44432 2.96039 -130.208 204.971 6.44432 204.972 112.877 GPRESSURE: 2236600 -351.716 73.2196 26.0793 2.51257 -150.072 319.271 -7.04101 269.69 155.384 PRESSAVG: 2236600 -16.1472 19.631 14.3445 19.631 79.4908 53.4526 14.3446 53.4526 -4.16761 GPRESSAVG: 2236600 -17.0003 20.0816 13.7231 21.757 80.5493 54.9888 13.5378 52.6756 -4.06747 TIMING: 2236600 CPU: 7142.29, 0.00314312/step Wall: 7142.29, 0.00314312/step, 2.41269 hours remaining, 232.792969 MB of memory in use. ENERGY: 2236600 4082.3355 20618.1780 14495.6862 270.1859 -203411.8222 2453.2039 0.0000 0.0000 52171.5394 -109320.6931 299.8306 -161492.2325 -108973.2157 299.6466 -146.1869 -115.4679 759923.8357 19.7253 19.8272 PRESSURE: 2236800 290.086 176.423 19.7059 176.424 281.557 -3.52452 19.7052 -3.52357 357.313 GPRESSURE: 2236800 289.016 58.3096 -14.6247 152.291 334.121 -26.7785 -79.444 55.6169 400.56 PRESSAVG: 2236800 8.4608 9.3228 -28.7318 9.32284 -25.3359 40.95 -28.7317 40.95 2.01902 GPRESSAVG: 2236800 7.57604 6.96404 -27.8211 10.2847 -26.2665 40.5333 -30.2617 42.2459 3.8514 TIMING: 2236800 CPU: 7142.92, 0.00316242/step Wall: 7142.92, 0.00316242/step, 2.42733 hours remaining, 232.792969 MB of memory in use. ENERGY: 2236800 4024.2675 20422.9608 14429.2766 234.0238 -203711.5361 2969.4753 0.0000 0.0000 52354.1621 -109277.3699 300.8801 -161631.5320 -108916.7949 299.4135 309.6519 341.2323 761453.8383 -4.9520 -4.9464 PRESSURE: 2237000 -14.8856 114.17 110.947 114.17 123.143 96.5962 110.947 96.5969 -159.488 GPRESSURE: 2237000 87.6167 64.5995 142.094 114.505 105.55 114.988 66.6261 44.9296 -156.68 PRESSAVG: 2237000 30.9267 21.8364 -19.19 21.8364 -3.5525 -48.7321 -19.19 -48.7322 0.203268 GPRESSAVG: 2237000 30.4998 22.2596 -19.4741 21.5033 -1.96842 -48.8058 -17.3918 -48.5985 -0.967309 TIMING: 2237000 CPU: 7143.55, 0.00314316/step Wall: 7143.55, 0.00314316/step, 2.41238 hours remaining, 232.792969 MB of memory in use. ENERGY: 2237000 3984.0708 20412.0048 14483.4658 248.9773 -203477.2585 2540.6943 0.0000 0.0000 52336.5599 -109471.4856 300.7789 -161808.0455 -109102.2499 299.1106 -17.0770 12.1624 762095.0959 9.1925 9.1880 PRESSURE: 2237200 -347.152 7.66276 122.915 7.66215 -200.57 95.2427 122.915 95.2427 69.9324 GPRESSURE: 2237200 -329.067 7.32482 21.2178 22.0176 -128.116 148.875 93.6972 -52.3803 84.7295 PRESSAVG: 2237200 5.37531 0.471302 -32.1699 0.47123 0.305145 34.4828 -32.1699 34.4829 -7.94623 GPRESSAVG: 2237200 4.72242 2.71427 -31.8345 -1.34342 0.734577 34.3568 -32.1239 34.2408 -7.37663 TIMING: 2237200 CPU: 7144.18, 0.00312299/step Wall: 7144.18, 0.00312299/step, 2.39672 hours remaining, 232.792969 MB of memory in use. ENERGY: 2237200 3954.2349 20459.1090 14475.7270 253.4410 -203737.1308 2794.5169 0.0000 0.0000 52297.2274 -109502.8746 300.5529 -161800.1019 -109141.6485 299.1626 -159.2634 -124.1511 761483.1330 -0.7553 -0.6399 PRESSURE: 2237400 -133.631 -179.914 49.0663 -179.914 -190.899 -137.224 49.066 -137.224 -268.002 GPRESSURE: 2237400 -152.762 -129.852 -0.983658 -68.7413 -43.3257 -105.29 96.534 -154.711 -314.074 PRESSAVG: 2237400 20.3966 -21.5914 -13.9066 -21.5914 -58.8398 6.72279 -13.9066 6.72284 6.07678 GPRESSAVG: 2237400 22.5144 -20.2546 -12.978 -22.6946 -59.6534 7.45273 -13.5045 4.7605 4.69882 TIMING: 2237400 CPU: 7144.8, 0.00312956/step Wall: 7144.8, 0.00312956/step, 2.40159 hours remaining, 232.792969 MB of memory in use. ENERGY: 2237400 4012.2843 20519.5425 14428.7457 249.7548 -202946.1689 2121.4000 0.0000 0.0000 51920.2847 -109694.1569 298.3866 -161614.4417 -109333.0949 299.2509 -197.5109 -170.0539 762060.2374 -10.7888 -10.8134 PRESSURE: 2237600 39.0551 22.8107 -5.04118 22.811 -243.552 181.543 -5.04248 181.545 104.055 GPRESSURE: 2237600 88.0326 0.780048 9.68391 16.4091 -200.415 305.569 -11.5764 45.0138 87.3402 PRESSAVG: 2237600 87.9077 -27.3424 49.1581 -27.3425 -96.8125 34.7639 49.1581 34.7639 -3.15287 GPRESSAVG: 2237600 87.1674 -29.7216 48.3143 -27.242 -96.1395 34.9508 49.2271 36.3363 -2.72859 TIMING: 2237600 CPU: 7145.43, 0.0031322/step Wall: 7145.43, 0.0031322/step, 2.40344 hours remaining, 232.792969 MB of memory in use. ENERGY: 2237600 4009.9469 20349.4973 14427.6275 252.1518 -203279.3087 2553.1528 0.0000 0.0000 52028.1347 -109658.7978 299.0064 -161686.9324 -109292.0267 298.9762 -33.4808 -8.3472 760489.1781 -4.0192 -3.9002 PRESSURE: 2237800 237.047 -212.41 -63.2644 -212.411 -297.469 -382.973 -63.265 -382.974 -197.383 GPRESSURE: 2237800 105.503 -206.465 -107.407 -177.848 -186.71 -281.272 -85.4033 -358.892 -84.9369 PRESSAVG: 2237800 37.3481 -23.6267 40.4312 -23.6267 -58.3068 30.3294 40.4312 30.3294 1.84837 GPRESSAVG: 2237800 37.0736 -23.7734 38.7701 -21.9669 -59.0843 30.0502 40.5936 29.8584 2.49532 TIMING: 2237800 CPU: 7146.05, 0.00311865/step Wall: 7146.05, 0.00311865/step, 2.39287 hours remaining, 232.792969 MB of memory in use. ENERGY: 2237800 3990.9620 20546.2095 14554.9847 247.4548 -203656.3607 2687.0147 0.0000 0.0000 51900.4951 -109729.2399 298.2729 -161629.7350 -109381.1366 298.3506 -85.9351 -55.3812 760073.6382 -6.3701 -6.5051 PRESSURE: 2238000 -13.4931 -67.7287 -95.0481 -67.7283 -80.9389 -113.817 -95.0486 -113.816 60.9367 GPRESSURE: 2238000 2.23977 -179.283 -135.45 -152.627 -52.8904 -140.495 -76.0162 -3.77038 103.606 PRESSAVG: 2238000 -0.835658 -52.3659 -10.998 -52.3659 -38.5267 -65.1886 -10.998 -65.1886 -17.4148 GPRESSAVG: 2238000 -2.38257 -53.4642 -9.43686 -51.7433 -37.1927 -65.5138 -9.88661 -66.255 -17.4845 TIMING: 2238000 CPU: 7146.68, 0.00312475/step Wall: 7146.68, 0.00312475/step, 2.39738 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 4031.0995 20508.6509 14415.3721 245.3894 -203437.2223 2654.4417 0.0000 0.0000 52041.2007 -109541.0681 299.0815 -161582.2688 -109176.6266 298.8572 -11.1651 17.6519 760334.8589 -18.9257 -19.0199 PRESSURE: 2238200 -417.832 -19.2186 -205.027 -19.2185 -433.909 -49.0325 -205.027 -49.0319 8.31739 GPRESSURE: 2238200 -329.158 -78.5409 -182.982 5.64374 -413.259 -101.383 -245.592 26.5348 -7.5698 PRESSAVG: 2238200 70.8079 -28.1128 -19.6544 -28.1128 -25.1831 32.1451 -19.6544 32.1452 -14.4169 GPRESSAVG: 2238200 71.1406 -27.2645 -21.2908 -27.8657 -26.1301 34.0825 -19.8232 31.9453 -14.5069 TIMING: 2238200 CPU: 7147.3, 0.00312839/step Wall: 7147.3, 0.00312839/step, 2.39999 hours remaining, 232.792969 MB of memory in use. ENERGY: 2238200 3911.9029 20299.2687 14391.4332 237.4670 -202977.8933 2055.0223 0.0000 0.0000 52207.7751 -109875.0241 300.0388 -162082.7992 -109512.1024 299.2457 -281.1412 -249.9956 761330.2825 10.4027 10.1679 PRESSURE: 2238400 129.605 -74.2345 18.1732 -74.2345 -31.0167 210.222 18.1733 210.223 168.465 GPRESSURE: 2238400 218.991 133.073 121.488 -31.1312 -25.6542 54.0965 -51.3015 253.076 147.51 PRESSAVG: 2238400 47.0321 -77.1744 -10.1798 -77.1745 -50.2486 -2.27411 -10.1798 -2.2741 19.0503 GPRESSAVG: 2238400 48.4488 -75.776 -9.26819 -78.5206 -50.7049 -3.15977 -11.3594 -1.09746 17.8333 TIMING: 2238400 CPU: 7147.92, 0.0031113/step Wall: 7147.92, 0.0031113/step, 2.38671 hours remaining, 232.792969 MB of memory in use. ENERGY: 2238400 3951.5213 20421.4592 14415.8479 266.0212 -203459.1572 2514.0365 0.0000 0.0000 51907.4785 -109982.7927 298.3130 -161890.2711 -109618.0251 298.3438 89.0178 113.6156 759315.0478 5.2779 5.1924 PRESSURE: 2238600 210.81 -216.777 -25.0984 -216.777 41.2324 12.579 -25.0982 12.5782 110.383 GPRESSURE: 2238600 146.873 -112.289 -113.805 -100.366 133.711 14.7894 45.1773 -3.9213 163.08 PRESSAVG: 2238600 -17.8539 -24.9668 -28.5527 -24.9667 -10.2968 16.2163 -28.5527 16.2163 -28.4096 GPRESSAVG: 2238600 -17.7521 -26.3541 -27.9875 -23.2424 -11.3397 16.0952 -29.1722 16.0269 -27.6308 TIMING: 2238600 CPU: 7148.55, 0.00312944/step Wall: 7148.55, 0.00312944/step, 2.40045 hours remaining, 232.792969 MB of memory in use. ENERGY: 2238600 3962.2703 20252.7177 14392.0455 229.4140 -203003.5020 2258.8111 0.0000 0.0000 51660.1728 -110248.0707 296.8917 -161908.2435 -109893.8971 297.7222 120.8085 147.8881 759149.0470 -18.8534 -18.9075 PRESSURE: 2238800 37.4329 51.3766 -97.3723 51.3759 107.409 -251.654 -97.3724 -251.653 -363.288 GPRESSURE: 2238800 74.8418 67.5991 -192.118 166.205 145.924 -207.097 -0.0700184 -157.834 -353.741 PRESSAVG: 2238800 18.3543 -51.8369 13.7472 -51.8369 -31.8644 -5.60313 13.7473 -5.60307 -14.4121 GPRESSAVG: 2238800 17.6555 -52.5589 15.2363 -51.6684 -31.4776 -7.51254 14.1546 -3.63187 -14.246 TIMING: 2238800 CPU: 7149.17, 0.00311606/step Wall: 7149.17, 0.00311607/step, 2.39002 hours remaining, 232.792969 MB of memory in use. ENERGY: 2238800 3969.4767 20516.4154 14366.5241 243.9101 -203289.9836 2334.5117 0.0000 0.0000 51616.4902 -110242.6554 296.6407 -161859.1456 -109886.1078 297.7668 -72.8152 -44.3252 757552.6167 -9.3074 -9.3560 PRESSURE: 2239000 -226.942 -141.116 -88.3468 -141.116 -44.417 207.571 -88.3474 207.571 -255.836 GPRESSURE: 2239000 -179.763 -223.541 -80.3651 -62.0728 -51.62 276.171 65.4692 168.359 -219.026 PRESSAVG: 2239000 34.7167 -43.5045 -39.501 -43.5046 -15.4464 -33.6067 -39.501 -33.6067 1.38097 GPRESSAVG: 2239000 34.6753 -42.3905 -41.1468 -41.9569 -15.8655 -31.2136 -39.5014 -35.6672 0.937467 TIMING: 2239000 CPU: 7149.8, 0.00313987/step Wall: 7149.8, 0.00313987/step, 2.40811 hours remaining, 232.792969 MB of memory in use. ENERGY: 2239000 3890.8252 20403.9102 14463.4564 229.9127 -203047.7290 2081.1415 0.0000 0.0000 51686.3306 -110292.1523 297.0421 -161978.4829 -109924.3719 297.7136 -175.7317 -150.1364 759964.0164 6.8837 6.5824 PRESSURE: 2239200 -394.873 64.3001 -8.66027 64.2996 -235.216 108.824 -8.65996 108.823 -318.818 GPRESSURE: 2239200 -422.624 154.788 87.3194 117.561 -183.3 73.051 12.4677 1.78354 -265.719 PRESSAVG: 2239200 19.4652 -55.8701 6.85293 -55.8701 -20.6564 -4.02004 6.85296 -4.02004 -20.8662 GPRESSAVG: 2239200 19.5393 -57.1306 7.39491 -57.711 -20.9378 -3.25993 9.37583 -3.53212 -20.457 TIMING: 2239200 CPU: 7150.43, 0.00312781/step Wall: 7150.43, 0.00312781/step, 2.39868 hours remaining, 232.792969 MB of memory in use. ENERGY: 2239200 3978.4730 20273.9334 14432.5584 250.6478 -203498.4855 2450.1416 0.0000 0.0000 51849.8374 -110262.8939 297.9817 -162112.7313 -109896.2212 297.8376 -316.3023 -290.5477 760350.4987 -7.3525 -7.2852 PRESSURE: 2239400 -213.034 -192.395 -120.99 -192.396 34.135 -302.543 -120.991 -302.543 -157.114 GPRESSURE: 2239400 -148.831 -201.045 -107.145 -92.1043 80.3269 -342.517 -158.352 -218.002 -183.355 PRESSAVG: 2239400 -31.6484 -20.9585 -55.1134 -20.9584 39.7409 -27.6079 -55.1134 -27.6079 -0.415545 GPRESSAVG: 2239400 -32.8896 -20.594 -56.9324 -20.3151 40.3189 -29.0424 -56.9591 -29.1134 0.443707 TIMING: 2239400 CPU: 7151.05, 0.00311641/step Wall: 7151.05, 0.00311641/step, 2.38976 hours remaining, 232.792969 MB of memory in use. ENERGY: 2239400 3979.6132 20310.0470 14455.4743 243.5905 -203686.5642 2550.9859 0.0000 0.0000 52191.9857 -109954.8678 299.9481 -162146.8536 -109599.8552 298.4499 -112.0042 -83.9531 760030.5923 2.5590 2.6243 PRESSURE: 2239600 -246.75 -195.442 192.781 -195.442 -105.639 141.088 192.781 141.088 -3.82852 GPRESSURE: 2239600 -161.066 -172.971 233.132 -171.357 -155.968 114.758 161.277 169.092 42.6074 PRESSAVG: 2239600 34.3572 -52.3764 -48.6589 -52.3763 -21.0658 -50.2894 -48.659 -50.2894 -8.00544 GPRESSAVG: 2239600 35.8368 -52.875 -45.4443 -53.014 -20.5615 -49.2921 -49.2092 -49.2942 -9.79396 TIMING: 2239600 CPU: 7151.68, 0.00313338/step Wall: 7151.68, 0.00313338/step, 2.40261 hours remaining, 232.792969 MB of memory in use. ENERGY: 2239600 3974.9034 20414.4451 14482.0967 246.2938 -203399.4381 2357.2343 0.0000 0.0000 52047.8093 -109876.6555 299.1195 -161924.4648 -109511.7946 298.5682 -118.7393 -91.4753 759570.1934 1.7620 1.8271 PRESSURE: 2239800 -19.8576 -82.8912 -140.425 -82.8919 -116.984 -22.6732 -140.424 -22.6723 -53.6518 GPRESSURE: 2239800 -4.05349 -55.2941 -130.659 6.91793 -104.858 31.9408 -257.137 -84.3425 5.90739 PRESSAVG: 2239800 29.2277 -36.4576 -37.5537 -36.4576 -63.2781 -10.1941 -37.5537 -10.1942 8.81967 GPRESSAVG: 2239800 29.434 -36.9221 -39.6989 -35.3216 -64.0027 -13.8006 -36.8071 -7.70093 9.44091 TIMING: 2239800 CPU: 7152.3, 0.00313878/step Wall: 7152.3, 0.00313877/step, 2.40657 hours remaining, 232.792969 MB of memory in use. ENERGY: 2239800 4018.0599 20254.0363 14512.5650 265.7792 -203096.2030 2299.5928 0.0000 0.0000 51730.4319 -110015.7380 297.2955 -161746.1699 -109651.7899 298.4203 -63.4976 -34.3345 759578.7784 -8.4102 -8.3759 PRESSURE: 2240000 147.361 -0.128405 -5.79001 -0.128156 -150.314 -71.3004 -5.78981 -71.3006 -213.05 GPRESSURE: 2240000 196.202 -28.7341 47.308 25.2722 -137.438 -52.5584 33.7288 -182.315 -195.494 PRESSAVG: 2240000 10.4497 -27.546 17.3732 -27.546 16.717 -19.9384 17.3733 -19.9384 -16.229 GPRESSAVG: 2240000 10.3119 -25.9149 18.0143 -30.0734 17.4984 -17.8686 16.3655 -22.3516 -16.099 TIMING: 2240000 CPU: 7152.93, 0.0031385/step Wall: 7152.93, 0.0031385/step, 2.40618 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2240000 3973.7244 20227.6075 14473.1712 244.4411 -203077.7559 2240.0185 0.0000 0.0000 51956.2447 -109962.5486 298.5933 -161918.7932 -109605.4899 297.9265 -72.0009 -45.5767 759334.1128 3.6459 3.9038 PRESSURE: 2240200 -122.827 80.7836 -67.3493 80.7833 -155.481 -73.3216 -67.3501 -73.3213 -21.4603 GPRESSURE: 2240200 -26.0359 177.862 -73.1206 -37.5181 -150.516 -3.03636 -42.1996 -200.005 -53.7761 PRESSAVG: 2240200 34.5718 -34.826 -13.7221 -34.826 -59.2302 -14.1887 -13.7221 -14.1887 -13.1869 GPRESSAVG: 2240200 33.8529 -34.0926 -13.9256 -32.4113 -59.3519 -15.1671 -12.5489 -15.9488 -12.8386 TIMING: 2240200 CPU: 7153.56, 0.00314188/step Wall: 7153.56, 0.00314188/step, 2.4086 hours remaining, 232.792969 MB of memory in use. ENERGY: 2240200 4061.2258 20424.3195 14427.2906 262.1525 -203386.6984 2468.6214 0.0000 0.0000 51936.0915 -109806.9972 298.4774 -161743.0887 -109461.7060 298.2175 -99.9231 -76.7759 760298.5490 -12.6151 -12.7792 LDB: ============= START OF LOAD BALANCING ============== 7165.98 LDB: ============== END OF LOAD BALANCING =============== 7165.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7165.98 LDB: ============= START OF LOAD BALANCING ============== 7166.3 LDB: Largest compute 7031 load 0.034416 is 17.6% of average load 0.195406 LDB: Average compute 0.004385 is 2.2% of average load 0.195406 LDB: TIME 7166.3 LOAD: AVG 0.195406 MAX 0.217056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 7166.3 LOAD: AVG 0.195406 MAX 0.217056 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 7166.3 LOAD: AVG 0.195406 MAX 0.217056 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 7166.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7166.31 PRESSURE: 2240400 -142.369 16.4355 104.389 16.4348 -190.048 -125.775 104.389 -125.773 182.108 GPRESSURE: 2240400 -99.8054 42.3158 60.1763 -6.70485 -129.232 -137.177 12.6039 -109.75 157.478 PRESSAVG: 2240400 -22.9685 -24.661 -27.6314 -24.661 46.6279 -8.84232 -27.6315 -8.84227 12.7766 GPRESSAVG: 2240400 -23.0996 -25.4463 -27.8341 -26.9373 46.0183 -8.83907 -28.3289 -7.1898 13.5554 TIMING: 2240400 CPU: 7154.2, 0.00321693/step Wall: 7154.2, 0.00321693/step, 2.46596 hours remaining, 233.816406 MB of memory in use. ENERGY: 2240400 3962.0528 20548.7971 14414.9789 250.8154 -203292.3792 2608.9087 0.0000 0.0000 51704.9659 -109801.8603 297.1491 -161506.8263 -109444.6049 298.8136 -50.1028 -23.8532 760059.2841 12.1454 12.1580 PRESSURE: 2240600 -279.29 -54.9723 22.76 -54.9724 -304.839 153.579 22.7609 153.578 -222.328 GPRESSURE: 2240600 -264.926 -26.3489 61.5724 -111.235 -232.318 95.9657 14.6262 153.771 -241.3 PRESSAVG: 2240600 37.8258 -81.0467 27.0428 -81.0467 -23.506 -26.8139 27.0429 -26.8138 -0.982141 GPRESSAVG: 2240600 39.0429 -82.2017 27.0335 -80.2441 -23.0478 -25.387 29.1311 -26.4864 -2.94327 TIMING: 2240600 CPU: 7154.83, 0.00314117/step Wall: 7154.83, 0.00314117/step, 2.40771 hours remaining, 234.074219 MB of memory in use. ENERGY: 2240600 4055.8984 20444.7811 14484.9409 247.6118 -203346.2050 2367.7293 0.0000 0.0000 51992.7064 -109752.5370 298.8028 -161745.2434 -109392.2696 298.4407 -268.8191 -246.1813 761654.0888 4.4459 4.3506 PRESSURE: 2240800 177.245 -74.5706 150.504 -74.571 -142.933 235.765 150.505 235.765 21.6015 GPRESSURE: 2240800 239.322 -45.1665 287.492 -115.203 -93.7267 213.852 124.672 140.015 -13.7833 PRESSAVG: 2240800 47.2238 13.8108 30.7914 13.8107 -26.3485 24.0586 30.7914 24.0586 7.71858 GPRESSAVG: 2240800 45.9757 14.2757 31.8791 14.1941 -26.759 22.1596 28.3035 25.5529 8.78345 TIMING: 2240800 CPU: 7155.46, 0.00313165/step Wall: 7155.46, 0.00313165/step, 2.40023 hours remaining, 234.128906 MB of memory in use. ENERGY: 2240800 3960.5350 20303.3736 14435.9167 260.9077 -203609.4907 2595.5557 0.0000 0.0000 52315.0640 -109738.1381 300.6554 -162053.2021 -109381.8957 299.0915 18.6381 43.9374 760714.4510 9.5313 9.3334 PRESSURE: 2241000 66.6651 -122.121 169.974 -122.121 -305.063 191.557 169.974 191.555 123.532 GPRESSURE: 2241000 73.0049 -28.6777 70.1275 -184.118 -245.948 254.279 126.936 114.222 138.354 PRESSAVG: 2241000 28.7422 -15.1837 26.952 -15.1837 -18.0718 -39.2888 26.9521 -39.2888 -3.70639 GPRESSAVG: 2241000 29.1196 -17.4668 25.4607 -13.873 -16.9915 -38.1963 27.4262 -41.6853 -4.69185 TIMING: 2241000 CPU: 7156.08, 0.00312548/step Wall: 7156.08, 0.00312548/step, 2.39533 hours remaining, 234.128906 MB of memory in use. ENERGY: 2241000 4023.5292 20356.5033 14404.9282 254.2623 -203156.0097 2460.2554 0.0000 0.0000 51952.1741 -109704.3571 298.5699 -161656.5312 -109346.0825 298.9753 -38.2885 -11.5297 761022.8283 2.3214 2.4788 PRESSURE: 2241200 168.855 -18.9923 -59.868 -18.9921 126.713 -347.949 -59.8664 -347.949 396.639 GPRESSURE: 2241200 158.153 41.0145 -34.5224 -157.724 229.451 -275.217 44.4268 -260.87 391.107 PRESSAVG: 2241200 53.8995 -66.7741 17.5568 -66.7741 -55.2252 4.52255 17.5568 4.52256 -5.62539 GPRESSAVG: 2241200 53.2135 -64.9928 17.5209 -67.5465 -54.3987 5.1098 18.4104 4.55589 -6.1186 TIMING: 2241200 CPU: 7156.71, 0.00312929/step Wall: 7156.71, 0.00312929/step, 2.39808 hours remaining, 234.128906 MB of memory in use. ENERGY: 2241200 4005.9556 20403.3325 14499.0422 244.0776 -203232.0194 2440.6600 0.0000 0.0000 51909.8960 -109729.0556 298.3269 -161638.9516 -109374.1128 298.8212 230.7355 259.5701 759754.4305 -2.3170 -2.4346 PRESSURE: 2241400 363.134 -34.9158 43.1877 -34.9163 -167.13 188.099 43.1877 188.098 -361.198 GPRESSURE: 2241400 269.073 29.9244 44.7006 25.6451 2.78825 104.507 -74.5998 211.468 -339.989 PRESSAVG: 2241400 38.5505 -41.0481 -63.4708 -41.048 -4.68373 -39.9064 -63.4707 -39.9064 16.1492 GPRESSAVG: 2241400 37.7789 -40.0057 -62.3523 -41.123 -6.02211 -41.2924 -65.2304 -39.5848 17.8112 TIMING: 2241400 CPU: 7157.33, 0.00312668/step Wall: 7157.33, 0.00312668/step, 2.39591 hours remaining, 234.144531 MB of memory in use. ENERGY: 2241400 4012.1150 20333.8232 14473.0807 241.3524 -203320.8823 2660.9012 0.0000 0.0000 52092.3465 -109507.2633 299.3754 -161599.6098 -109145.0227 299.2393 -55.0646 -22.7093 761161.9796 16.6720 16.5227 PRESSURE: 2241600 44.3236 -148.925 103.08 -148.925 225.351 -99.4717 103.08 -99.4728 323.699 GPRESSURE: 2241600 46.8927 -17.6238 -12.9275 -28.982 237.616 -85.0379 83.5007 -143.648 396.7 PRESSAVG: 2241600 10.4259 -60.4724 4.51624 -60.4724 -17.2107 -4.22997 4.51621 -4.22994 32.1677 GPRESSAVG: 2241600 10.8077 -60.9747 4.00753 -59.188 -17.5182 -1.78338 6.20978 -4.51331 31.8854 TIMING: 2241600 CPU: 7157.96, 0.00311761/step Wall: 7157.96, 0.00311761/step, 2.38878 hours remaining, 234.144531 MB of memory in use. ENERGY: 2241600 4035.8305 20530.1566 14394.3557 230.9024 -203303.4502 2402.1363 0.0000 0.0000 51968.6589 -109741.4100 298.6646 -161710.0689 -109387.4305 298.9237 197.7914 227.0696 760824.1837 8.4610 8.3917 PRESSURE: 2241800 -146.864 44.681 221.867 44.681 -179.388 81.0815 221.866 81.0819 17.5734 GPRESSURE: 2241800 -15.0717 61.7788 171.566 46.7847 -179.177 82.7327 122.987 150.731 -33.8015 PRESSAVG: 2241800 24.2696 -60.9531 -16.4752 -60.9531 5.37893 30 -16.4752 30 -0.939148 GPRESSAVG: 2241800 25.3043 -61.2439 -17.3855 -62.3518 4.61421 29.0106 -17.6838 31.2853 -1.60861 TIMING: 2241800 CPU: 7158.59, 0.00313928/step Wall: 7158.59, 0.00313928/step, 2.40521 hours remaining, 234.144531 MB of memory in use. ENERGY: 2241800 4072.7099 20446.2269 14386.6264 254.7526 -203750.8795 2575.3873 0.0000 0.0000 52318.5219 -109696.6545 300.6753 -162015.1764 -109335.2952 299.1269 -102.8930 -76.0167 759741.0536 9.5698 9.4366 PRESSURE: 2242000 -210.909 -114.795 189.603 -114.795 205.043 115.521 189.604 115.52 7.17931 GPRESSURE: 2242000 -195.601 20.5451 153.704 -100.21 247.382 123.57 171.919 70.4417 50.4109 PRESSAVG: 2242000 25.4441 -64.6277 13.2773 -64.6278 -6.07633 36.3096 13.2773 36.3096 7.72484 GPRESSAVG: 2242000 24.1464 -64.3804 15.3126 -64.7706 -5.44097 35.7302 14.2935 36.0333 8.33956 TIMING: 2242000 CPU: 7159.21, 0.00313177/step Wall: 7159.21, 0.00313177/step, 2.39928 hours remaining, 234.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2242000 4057.7622 20606.5266 14420.5795 243.4620 -203332.2722 2366.2148 0.0000 0.0000 52057.2607 -109580.4665 299.1738 -161637.7272 -109210.0274 299.4284 0.4378 34.0639 759382.8130 9.0309 9.0150 PRESSURE: 2242200 -62.8203 246.287 -114.842 246.286 92.7227 110.169 -114.844 110.169 381.016 GPRESSURE: 2242200 48.4672 234.965 -220.902 239.093 97.9322 24.7265 -32.4255 88.8069 360.637 PRESSAVG: 2242200 -9.44968 -55.3222 -13.04 -55.3222 18.7085 11.5842 -13.04 11.5842 22.8548 GPRESSAVG: 2242200 -8.00983 -55.3252 -13.6693 -53.5178 17.37 11.4592 -12.8018 12.0223 22.3506 TIMING: 2242200 CPU: 7159.84, 0.00312164/step Wall: 7159.84, 0.00312164/step, 2.39135 hours remaining, 234.144531 MB of memory in use. ENERGY: 2242200 3873.9558 20629.9516 14477.0978 246.0073 -203515.6490 2657.5640 0.0000 0.0000 52247.8599 -109383.2126 300.2692 -161631.0725 -109028.9906 299.5927 136.9729 169.0122 759786.0136 10.7045 10.5703 PRESSURE: 2242400 66.0758 19.5543 101.889 19.5541 -157.681 -162.766 101.889 -162.766 51.7606 GPRESSURE: 2242400 54.3995 -77.2056 45.3965 12.7813 -54.4514 -169.139 86.9556 -32.1157 39.5684 PRESSAVG: 2242400 46.5861 -89.2663 -4.40665 -89.2663 2.13777 52.4291 -4.40662 52.4291 -7.55134 GPRESSAVG: 2242400 44.8508 -89.0004 -6.26859 -92.1514 2.86097 52.1734 -4.18823 49.7646 -6.37651 TIMING: 2242400 CPU: 7160.46, 0.00313864/step Wall: 7160.46, 0.00313864/step, 2.4042 hours remaining, 234.144531 MB of memory in use. ENERGY: 2242400 3981.2782 20610.5147 14461.1757 250.2215 -203310.5469 2293.3076 0.0000 0.0000 52367.7425 -109346.3067 300.9581 -161714.0492 -108968.1448 299.9127 -13.2816 13.1722 759993.3409 13.7242 13.7784 PRESSURE: 2242600 63.6359 -33.6885 4.47959 -33.6882 5.74956 93.5266 4.48046 93.5262 -93.7047 GPRESSURE: 2242600 268.657 36.0262 61.2743 -22.4202 -0.82781 102.404 -170.366 -123.792 -203.62 PRESSAVG: 2242600 53.8307 -74.3337 -3.54065 -74.3337 -49.1351 40.501 -3.54066 40.501 -10.7887 GPRESSAVG: 2242600 54.7197 -74.6657 0.457873 -72.1816 -48.1495 42.1445 -5.74237 42.6109 -12.6928 TIMING: 2242600 CPU: 7161.1, 0.00316336/step Wall: 7161.1, 0.00316336/step, 2.42296 hours remaining, 234.144531 MB of memory in use. ENERGY: 2242600 4000.2357 20517.9048 14464.6035 244.6482 -203046.7466 2398.4324 0.0000 0.0000 51864.8754 -109556.0467 298.0682 -161420.9221 -109193.0470 299.4950 -8.1064 21.4030 761057.2157 -2.0310 -2.0409 PRESSURE: 2242800 107.349 134.832 219.891 134.831 -268.214 -100.232 219.892 -100.233 165.694 GPRESSURE: 2242800 52.641 130.108 201.203 118.219 -169.64 -196.786 181.976 -160.069 195.12 PRESSAVG: 2242800 59.0335 -89.0881 30.9353 -89.0881 -53.6631 -39.9814 30.9353 -39.9814 -20.0122 GPRESSAVG: 2242800 59.3571 -89.4028 28.3646 -90.2762 -53.9476 -40.3124 31.6612 -38.6052 -19.6195 TIMING: 2242800 CPU: 7161.73, 0.00314104/step Wall: 7161.73, 0.00314104/step, 2.40569 hours remaining, 234.144531 MB of memory in use. ENERGY: 2242800 3924.4761 20663.9441 14492.5161 232.2566 -203350.8809 2514.8588 0.0000 0.0000 51968.6094 -109554.2198 298.6643 -161522.8293 -109194.0521 299.0908 1.6095 26.0403 760018.8123 -4.8806 -4.7367 PRESSURE: 2243000 129.194 -108.41 80.3425 -108.409 75.65 -175.03 80.3422 -175.03 -213.919 GPRESSURE: 2243000 148.637 -105.335 93.0195 -134.366 85.4555 -210.118 153.312 -24.8978 -164.872 PRESSAVG: 2243000 19.9923 -57.8657 -13.8386 -57.8657 -4.03877 -3.98666 -13.8387 -3.98668 -7.73913 GPRESSAVG: 2243000 19.5645 -55.8596 -14.442 -58.7807 -4.5002 -3.25455 -12.5918 -6.03477 -6.94276 TIMING: 2243000 CPU: 7162.35, 0.0031353/step Wall: 7162.35, 0.0031353/step, 2.40111 hours remaining, 234.144531 MB of memory in use. ENERGY: 2243000 4012.5059 20530.3536 14436.2041 236.1180 -203601.2345 2730.8035 0.0000 0.0000 52214.3498 -109440.8996 300.0766 -161655.2494 -109083.3592 299.4629 -3.0251 23.0736 761805.0524 2.7381 2.7072 PRESSURE: 2243200 -236.57 -194.158 -15.1525 -194.159 -27.5984 -234.86 -15.1529 -234.859 -165.842 GPRESSURE: 2243200 -193.977 -99.8324 13.0589 -80.2189 9.30404 -195.663 7.84215 -250.731 -146.19 PRESSAVG: 2243200 -8.14375 -115.777 -20.7637 -115.777 26.3761 24.61 -20.7637 24.61 12.3735 GPRESSAVG: 2243200 -7.70649 -116.044 -20.2608 -112.162 26.5969 22.3996 -22.0369 25.7049 12.0321 TIMING: 2243200 CPU: 7162.98, 0.00312122/step Wall: 7162.98, 0.00312122/step, 2.39016 hours remaining, 234.144531 MB of memory in use. ENERGY: 2243200 4054.0026 20594.7246 14389.1105 231.9194 -203130.1498 2472.9649 0.0000 0.0000 52036.3698 -109351.0579 299.0537 -161387.4277 -108993.2448 299.7084 -143.3367 -110.2876 762382.6904 10.2019 10.3075 PRESSURE: 2243400 -190.303 12.757 -139.854 12.7575 96.8422 69.9987 -139.854 69.9996 -110.011 GPRESSURE: 2243400 -191.011 -0.832563 -133.57 19.8451 72.0487 132.444 -72.2897 16.3713 -0.614139 PRESSAVG: 2243400 -35.1751 -36.4231 -8.83648 -36.423 15.0054 -1.04306 -8.83651 -1.04296 -14.0256 GPRESSAVG: 2243400 -35.0669 -37.2668 -9.32352 -36.3724 14.6827 -1.26784 -7.9605 -2.19929 -13.6125 TIMING: 2243400 CPU: 7163.61, 0.00316147/step Wall: 7163.61, 0.00316147/step, 2.42081 hours remaining, 234.144531 MB of memory in use. ENERGY: 2243400 3954.7903 20506.3484 14439.7536 253.4303 -202930.3775 2484.8639 0.0000 0.0000 52072.1844 -109219.0066 299.2596 -161291.1910 -108849.4872 299.4682 -67.8241 -39.8587 764146.9727 -11.3984 -11.3322 PRESSURE: 2243600 -70.874 82.8521 150.949 82.852 -281.519 -193.715 150.95 -193.714 95.297 GPRESSURE: 2243600 -121.398 104.444 180.138 6.29193 -191.708 -187.978 54.9124 -121.693 144.98 PRESSAVG: 2243600 11.0916 -21.8881 -31.8093 -21.8881 -26.1438 -35.141 -31.8093 -35.1411 -0.980678 GPRESSAVG: 2243600 10.6571 -23.6001 -31.3998 -24.2009 -25.8794 -35.379 -33.8801 -35.2766 -0.691337 TIMING: 2243600 CPU: 7164.24, 0.0031464/step Wall: 7164.24, 0.0031464/step, 2.40909 hours remaining, 234.144531 MB of memory in use. ENERGY: 2243600 3992.0693 20629.8297 14403.8109 264.1167 -203250.4078 2407.3137 0.0000 0.0000 52208.6132 -109344.6545 300.0436 -161553.2677 -108989.6396 299.9122 -85.6985 -56.0419 760748.7619 -5.3443 -5.3046 PRESSURE: 2243800 304.029 155.41 -92.8014 155.41 -6.26609 148.209 -92.8018 148.208 202.316 GPRESSURE: 2243800 394.586 92.3108 -120.362 185.063 35.8395 218.416 -218.692 131.792 154.703 PRESSAVG: 2243800 24.3265 1.26347 8.68173 1.26349 -49.3265 -4.11311 8.68176 -4.11307 -14.4145 GPRESSAVG: 2243800 23.7067 4.7982 7.86438 1.63506 -48.3639 -2.81251 7.73944 -4.41117 -15.077 TIMING: 2243800 CPU: 7164.86, 0.00312635/step Wall: 7164.86, 0.00312635/step, 2.39357 hours remaining, 234.144531 MB of memory in use. ENERGY: 2243800 4049.0337 20604.1479 14475.1188 240.2434 -203407.9795 2574.1248 0.0000 0.0000 52096.0419 -109369.2691 299.3967 -161465.3110 -109006.9714 300.0135 166.6929 195.0429 759763.2315 -13.1381 -13.2447 PRESSURE: 2244000 140.584 148.315 -200.937 148.315 -152.643 -236.876 -200.937 -236.877 -9.10039 GPRESSURE: 2244000 77.2689 84.2899 -239.311 30.3265 40.7069 -306.099 -106.375 -214.416 -44.8942 PRESSAVG: 2244000 77.9501 -37.3571 -16.7761 -37.3571 -29.4109 48.4768 -16.7761 48.4769 19.0659 GPRESSAVG: 2244000 76.7116 -39.9308 -15.9399 -36.1525 -28.9683 47.5993 -14.7834 49.9215 19.6037 TIMING: 2244000 CPU: 7165.49, 0.00313753/step Wall: 7165.49, 0.00313753/step, 2.40196 hours remaining, 234.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2244000 4002.3058 20487.4180 14499.0797 261.8854 -203398.9199 2442.7505 0.0000 0.0000 52251.2894 -109454.1910 300.2889 -161705.4804 -109080.6987 299.5980 -7.0530 24.3605 759765.9045 22.5350 22.4490 PRESSURE: 2244200 204.447 -175.2 -189.577 -175.2 80.8604 -38.5797 -189.578 -38.58 -22.7959 GPRESSURE: 2244200 204.181 -146.873 -171.556 -57.0505 96.3592 30.3672 -1.68968 -53.4633 45.1744 PRESSAVG: 2244200 38.8358 10.6053 -20.4221 10.6054 -26.8504 14.4162 -20.4221 14.4162 6.31174 GPRESSAVG: 2244200 38.5607 9.22962 -21.8029 9.21731 -26.7199 12.2876 -20.3784 14.5503 5.68308 TIMING: 2244200 CPU: 7166.12, 0.00313686/step Wall: 7166.12, 0.00313686/step, 2.40127 hours remaining, 234.144531 MB of memory in use. ENERGY: 2244200 4060.4850 20572.9054 14500.2624 257.0810 -203289.7843 2478.8599 0.0000 0.0000 51770.7483 -109649.4422 297.5272 -161420.1905 -109288.2497 299.3623 87.5038 115.2384 759723.2287 6.0990 5.8413 LDB: ============= START OF LOAD BALANCING ============== 7178.54 LDB: ============== END OF LOAD BALANCING =============== 7178.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.54 LDB: ============= START OF LOAD BALANCING ============== 7178.86 LDB: Largest compute 7071 load 0.032703 is 16.7% of average load 0.195431 LDB: Average compute 0.004387 is 2.2% of average load 0.195431 LDB: TIME 7178.86 LOAD: AVG 0.195431 MAX 0.214695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 7178.86 LOAD: AVG 0.195431 MAX 0.214695 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 7178.86 LOAD: AVG 0.195431 MAX 0.214695 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 7178.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.87 PRESSURE: 2244400 -375.879 82.637 134.24 82.6368 -89.4171 -87.5811 134.239 -87.5817 -350.684 GPRESSURE: 2244400 -282.736 165.167 149.642 135.633 -209.363 -57.8599 17.2192 -185.396 -236.471 PRESSAVG: 2244400 19.4813 -23.5564 -32.5508 -23.5564 -15.0899 3.53923 -32.5508 3.53923 -11.8489 GPRESSAVG: 2244400 20.4994 -24.0346 -32.1455 -22.0906 -15.8118 7.1191 -35.4801 0.47166 -12.6233 TIMING: 2244400 CPU: 7166.76, 0.00320753/step Wall: 7166.76, 0.00320753/step, 2.45518 hours remaining, 234.769531 MB of memory in use. ENERGY: 2244400 3951.2339 20650.3324 14430.4230 250.2579 -203532.2419 2357.2849 0.0000 0.0000 52218.9090 -109673.8009 300.1028 -161892.7099 -109313.0211 299.0338 -271.9933 -242.8564 759496.0568 -2.4858 -2.6452 PRESSURE: 2244600 220.096 127.311 -52.9059 127.31 120.633 270.343 -52.9054 270.345 -60.8896 GPRESSURE: 2244600 266.488 220.963 -12.5545 60.617 156.991 248.573 31.1843 282.813 -47.1881 PRESSAVG: 2244600 42.8476 -94.116 -9.96252 -94.1159 -28.4655 12.2103 -9.96251 12.2104 -13.1665 GPRESSAVG: 2244600 44.2087 -93.3212 -9.79009 -95.6956 -29.1844 10.172 -6.90042 14.4346 -13.4827 TIMING: 2244600 CPU: 7167.39, 0.00313485/step Wall: 7167.39, 0.00313485/step, 2.39938 hours remaining, 234.972656 MB of memory in use. ENERGY: 2244600 4119.7142 20596.0817 14392.8589 241.2261 -203741.0763 2699.5784 0.0000 0.0000 52131.8981 -109559.7190 299.6027 -161691.6170 -109183.0306 299.6432 93.2798 125.4304 759933.1074 0.4052 0.5139 PRESSURE: 2244800 149.653 -92.64 -177.632 -92.6404 282.45 140.764 -177.632 140.763 52.3215 GPRESSURE: 2244800 121.945 -150.181 -164.877 -66.1142 424.365 104.216 -81.9567 1.0011 29.9627 PRESSAVG: 2244800 -13.9207 -93.5363 -66.7026 -93.5363 27.3926 51.9104 -66.7027 51.9103 16.9508 GPRESSAVG: 2244800 -15.8008 -93.4426 -66.42 -92.32 28.4342 52.9913 -67.7515 51.8752 18.0907 TIMING: 2244800 CPU: 7168.01, 0.0031301/step Wall: 7168.01, 0.0031301/step, 2.39557 hours remaining, 234.972656 MB of memory in use. ENERGY: 2244800 3957.7106 20327.9685 14440.4513 250.2754 -203692.7440 2886.7802 0.0000 0.0000 52088.8309 -109740.7272 299.3552 -161829.5581 -109362.4252 299.4132 161.4747 192.0911 758791.1849 10.1409 10.2414 PRESSURE: 2245000 -214.229 4.8025 -69.9065 4.8021 -327.329 5.39252 -69.9074 5.39313 -100.219 GPRESSURE: 2245000 -213.357 -107.57 -39.7151 -41.2211 -280.244 14.1784 -123.454 -77.6802 -69.1149 PRESSAVG: 2245000 6.06284 -64.6168 15.2311 -64.6169 -21.1112 9.04697 15.231 9.04695 -16.5703 GPRESSAVG: 2245000 6.96981 -64.1913 15.5472 -67.7953 -20.3936 8.65682 15.2219 7.37111 -17.9012 TIMING: 2245000 CPU: 7168.64, 0.00313192/step Wall: 7168.64, 0.00313192/step, 2.39679 hours remaining, 234.972656 MB of memory in use. ENERGY: 2245000 3985.9338 20620.1243 14369.1265 256.6035 -203658.8859 2616.2774 0.0000 0.0000 52309.9338 -109500.8868 300.6259 -161810.8205 -109139.7021 299.3714 -213.9257 -187.5720 761177.1186 -10.5396 -10.4416 PRESSURE: 2245200 136.831 19.0528 -203.963 19.0518 237.537 83.6141 -203.963 83.615 -221.466 GPRESSURE: 2245200 121.577 -79.4058 -192.544 -8.70775 297.484 111.761 -221.218 81.3335 -194.368 PRESSAVG: 2245200 -11.5743 -51.4009 -9.64857 -51.4009 7.40324 56.3528 -9.64858 56.3528 -3.23654 GPRESSAVG: 2245200 -11.7012 -52.3356 -9.71949 -46.6906 6.65333 56.9981 -9.54826 56.9586 -2.2609 TIMING: 2245200 CPU: 7169.27, 0.00313412/step Wall: 7169.27, 0.00313412/step, 2.3983 hours remaining, 234.972656 MB of memory in use. ENERGY: 2245200 4026.9247 20605.5063 14456.4792 263.5930 -203904.3198 2735.4858 0.0000 0.0000 52309.0964 -109507.2344 300.6211 -161816.3308 -109147.1716 299.8440 50.9674 74.8979 758138.8550 -2.4692 -2.4362 PRESSURE: 2245400 -415.319 91.2136 -281.375 91.2137 -167.467 -119.024 -281.374 -119.024 339.075 GPRESSURE: 2245400 -298.024 75.4467 -338.054 76.9862 -167.926 -114.391 -94.9791 -82.6255 328.262 PRESSAVG: 2245400 -21.2209 -46.3289 -25.1541 -46.3289 -22.0824 6.04963 -25.1541 6.04968 -3.60732 GPRESSAVG: 2245400 -20.9371 -45.2488 -25.4405 -48.1522 -21.789 5.65318 -24.6391 7.54319 -3.92287 TIMING: 2245400 CPU: 7169.89, 0.00313844/step Wall: 7169.89, 0.00313844/step, 2.40143 hours remaining, 234.972656 MB of memory in use. ENERGY: 2245400 3907.2340 20623.2487 14396.7107 258.5317 -203266.1775 2393.3408 0.0000 0.0000 52123.7698 -109563.3419 299.5560 -161687.1117 -109199.8304 299.6355 -81.2370 -45.8960 761327.3250 -15.6369 -15.5497 PRESSURE: 2245600 -82.2998 -88.2655 182.935 -88.2657 -328.872 -48.9517 182.935 -48.9516 135.27 GPRESSURE: 2245600 -79.5845 -198.746 225.381 -272.947 -235.826 -40.3697 143.162 -106.202 123.993 PRESSAVG: 2245600 -35.6761 -14.91 -43.6209 -14.91 24.253 -63.2986 -43.621 -63.2987 19.6634 GPRESSAVG: 2245600 -34.8508 -15.5293 -42.8379 -14.2735 24.727 -64.1506 -42.4149 -64.6998 18.6703 TIMING: 2245600 CPU: 7170.52, 0.00313643/step Wall: 7170.52, 0.00313643/step, 2.39971 hours remaining, 234.972656 MB of memory in use. ENERGY: 2245600 3990.2176 20550.1628 14394.6173 250.4313 -203444.3810 2634.1868 0.0000 0.0000 51999.1483 -109625.6168 298.8398 -161624.7651 -109260.9982 298.9653 -91.9673 -63.8060 759590.1172 2.7468 2.8488 PRESSURE: 2245800 -98.656 -204.658 19.359 -204.658 75.6868 -122.603 19.3598 -122.604 -34.7939 GPRESSURE: 2245800 58.3574 -135.912 7.91554 -126.7 -0.765403 -143.145 -74.848 -129.813 -36.4928 PRESSAVG: 2245800 49.5583 -35.4305 13.3607 -35.4305 -21.1587 -50.4634 13.3607 -50.4635 0.105774 GPRESSAVG: 2245800 49.7448 -35.8698 11.5094 -34.9827 -22.4039 -51.3143 11.7437 -49.7531 0.774376 TIMING: 2245800 CPU: 7171.14, 0.00311725/step Wall: 7171.14, 0.00311725/step, 2.38487 hours remaining, 234.972656 MB of memory in use. ENERGY: 2245800 4026.7792 20522.9384 14502.4677 281.0573 -203565.4362 2545.4894 0.0000 0.0000 52081.3991 -109605.3051 299.3125 -161686.7042 -109244.9321 299.2665 -19.2544 7.0331 760165.8664 9.5018 9.3717 PRESSURE: 2246000 -297.818 -99.1322 -100.794 -99.1325 -549.549 186.269 -100.794 186.27 -283.787 GPRESSURE: 2246000 -219.621 -143.364 -163.706 -98.7867 -487.637 137.471 -159.707 325.51 -317.61 PRESSAVG: 2246000 5.41863 -39.8279 -32.5952 -39.8279 24.1315 -7.203 -32.5952 -7.20293 25.0157 GPRESSAVG: 2246000 5.35598 -38.9422 -31.8697 -39.5723 23.6529 -5.68438 -33.2177 -8.25255 26.2347 TIMING: 2246000 CPU: 7171.77, 0.00312073/step Wall: 7171.77, 0.00312073/step, 2.38736 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2246000 4014.9600 20457.9905 14450.3276 231.7131 -203075.8161 2275.4872 0.0000 0.0000 52162.3194 -109483.0182 299.7776 -161645.3376 -109127.9465 299.1517 -377.0514 -341.6225 761663.3366 18.1886 18.4145 PRESSURE: 2246200 246.807 -155.069 270.243 -155.068 111.211 98.8119 270.243 98.8114 339.231 GPRESSURE: 2246200 356.951 -93.6313 164.324 -218.071 31.0771 201.56 231.537 1.31949 377.333 PRESSAVG: 2246200 -41.736 -46.5251 -1.32547 -46.5251 15.4018 -4.85571 -1.3255 -4.85567 1.59405 GPRESSAVG: 2246200 -41.3972 -45.4626 -2.97293 -48.2582 15.953 -4.67877 0.939974 -3.29765 0.151575 TIMING: 2246200 CPU: 7172.4, 0.00314249/step Wall: 7172.4, 0.00314249/step, 2.40383 hours remaining, 234.972656 MB of memory in use. ENERGY: 2246200 3956.1706 20467.2325 14402.0125 243.4554 -203330.6588 2583.2970 0.0000 0.0000 52178.2467 -109500.2441 299.8691 -161678.4908 -109129.7096 299.4391 232.4166 255.1203 758805.5949 -8.2467 -8.4309 PRESSURE: 2246400 -15.3114 -18.526 -95.8515 -18.527 88.784 185.865 -95.8515 185.864 232.575 GPRESSURE: 2246400 -45.2893 6.62284 -61.8056 -71.0422 163.678 213.854 -30.8369 132.99 270.381 PRESSAVG: 2246400 -36.6522 -70.9846 -31.9925 -70.9846 75.6871 -17.817 -31.9925 -17.817 -6.26648 GPRESSAVG: 2246400 -37.4963 -73.0634 -30.2715 -69.4643 76.1703 -19.859 -31.4552 -18.6115 -6.59038 TIMING: 2246400 CPU: 7173.03, 0.00315288/step Wall: 7173.03, 0.00315288/step, 2.4116 hours remaining, 234.972656 MB of memory in use. ENERGY: 2246400 3956.4838 20586.9100 14429.6586 230.9241 -203627.8500 2691.3200 0.0000 0.0000 52179.4141 -109553.1395 299.8758 -161732.5536 -109189.7605 299.6151 102.0157 129.5898 760343.6031 10.9228 10.6945 PRESSURE: 2246600 -10.8282 -73.7155 -57.6604 -73.7151 -119.157 47.9869 -57.6602 47.9869 -313.607 GPRESSURE: 2246600 -44.9995 -137.527 -109.065 -97.5435 -57.5243 84.7328 -80.126 134.583 -245.062 PRESSAVG: 2246600 2.45179 -69.9094 -20.2735 -69.9095 -8.42503 -45.4813 -20.2735 -45.4814 3.39512 GPRESSAVG: 2246600 1.41295 -68.7077 -19.8994 -70.2134 -8.04962 -43.0791 -22.743 -46.6081 4.98733 TIMING: 2246600 CPU: 7173.66, 0.00314537/step Wall: 7173.66, 0.00314537/step, 2.40568 hours remaining, 235.183594 MB of memory in use. ENERGY: 2246600 4098.3247 20623.9457 14493.4110 253.6229 -203157.1512 2467.8884 0.0000 0.0000 51974.5606 -109245.3979 298.6985 -161219.9586 -108886.6093 299.6178 -147.8642 -115.8621 760637.1049 -0.8594 -0.5498 PRESSURE: 2246800 -102.782 90.9177 51.4499 90.9176 -53.5985 -184.041 51.4493 -184.04 -67.6369 GPRESSURE: 2246800 -99.6724 -50.9137 -56.8769 167.731 -38.0925 -218.003 174.097 -153.01 0.00739809 PRESSAVG: 2246800 -11.0451 -24.0743 -26.1568 -24.0743 1.9845 -30.9422 -26.1568 -30.9422 -11.3332 GPRESSAVG: 2246800 -10.4132 -26.1376 -25.4324 -21.9352 1.51458 -32.4686 -23.8403 -28.9257 -11.2797 TIMING: 2246800 CPU: 7174.29, 0.00314062/step Wall: 7174.29, 0.00314062/step, 2.40188 hours remaining, 235.183594 MB of memory in use. ENERGY: 2246800 4052.2035 20445.5462 14438.5748 257.4376 -203288.3674 2512.5931 0.0000 0.0000 52343.6651 -109238.3471 300.8198 -161582.0122 -108870.5304 300.0522 -74.6726 -45.9192 758809.8885 -6.7979 -6.7261 PRESSURE: 2247000 -318.17 98.371 -212.931 98.3712 -395.482 -161.596 -212.931 -161.596 -274.786 GPRESSURE: 2247000 -341.837 57.6238 -227.169 91.1903 -325.282 -136.413 -112.771 -234.21 -238.55 PRESSAVG: 2247000 28.0121 -3.92695 -3.71433 -3.92705 -24.5014 6.88125 -3.71434 6.88127 -8.8062 GPRESSAVG: 2247000 28.7024 -1.07627 -4.61463 -6.07515 -25.3897 8.78411 -5.25801 3.9244 -9.26064 TIMING: 2247000 CPU: 7174.91, 0.00314872/step Wall: 7174.91, 0.00314872/step, 2.40789 hours remaining, 235.183594 MB of memory in use. ENERGY: 2247000 3996.0666 20651.3033 14480.1379 258.0321 -203063.6648 2047.4398 0.0000 0.0000 52082.5219 -109548.1632 299.3190 -161630.6851 -109190.0519 299.8411 -329.4795 -301.8896 759930.1276 -1.7652 -1.9826 PRESSURE: 2247200 344.757 -131.639 153.553 -131.639 150.462 301.905 153.553 301.905 79.422 GPRESSURE: 2247200 427.096 -60.7294 53.2389 7.35049 156.21 340.369 215.98 233.241 73.3107 PRESSAVG: 2247200 42.7419 -61.1955 -11.5721 -61.1956 -16.1727 -18.236 -11.572 -18.2362 3.02143 GPRESSAVG: 2247200 43.4485 -59.9814 -10.5775 -60.4998 -16.2296 -19.6721 -11.2172 -14.237 1.9641 TIMING: 2247200 CPU: 7175.54, 0.00314378/step Wall: 7175.54, 0.00314378/step, 2.40394 hours remaining, 235.183594 MB of memory in use. ENERGY: 2247200 3986.2856 20575.1088 14467.3074 233.1590 -203495.4616 2595.3501 0.0000 0.0000 52144.2167 -109494.0339 299.6735 -161638.2505 -109142.1990 299.5346 191.5469 218.8722 759741.1325 9.8635 9.7277 PRESSURE: 2247400 -417.836 70.3377 17.7488 70.3374 -516.929 -129.511 17.7484 -129.511 -231.819 GPRESSURE: 2247400 -298.501 101.208 110.299 -91.8538 -483.768 -151.668 -95.907 -106.533 -301.204 PRESSAVG: 2247400 13.9672 -90.9448 11.4207 -90.9449 -21.1782 50.7665 11.4207 50.7665 1.03447 GPRESSAVG: 2247400 14.4893 -91.9055 10.7158 -91.4321 -21.0749 52.2052 12.1273 49.2209 0.715065 TIMING: 2247400 CPU: 7176.17, 0.0031515/step Wall: 7176.17, 0.0031515/step, 2.40967 hours remaining, 235.183594 MB of memory in use. ENERGY: 2247400 4046.4264 20622.7862 14452.0424 244.0846 -202889.3267 2090.8480 0.0000 0.0000 52078.2638 -109354.8753 299.2945 -161433.1391 -108989.4381 299.6715 -388.8612 -361.1576 761921.9532 -2.0588 -1.9569 PRESSURE: 2247600 347.079 -194.678 -53.7778 -194.678 90.8965 -202.853 -53.7782 -202.854 366.08 GPRESSURE: 2247600 338.697 -261.78 -57.1853 -208.198 201.867 -204.145 -29.9407 -199.207 338.827 PRESSAVG: 2247600 5.03959 -58.2625 -30.1237 -58.2625 -33.5193 -13.4616 -30.1237 -13.4616 4.52698 GPRESSAVG: 2247600 2.70721 -58.6394 -30.6761 -59.1395 -33.051 -14.6678 -31.4213 -13.3381 5.84221 TIMING: 2247600 CPU: 7176.81, 0.00318483/step Wall: 7176.81, 0.00318483/step, 2.43498 hours remaining, 235.183594 MB of memory in use. ENERGY: 2247600 3973.6882 20502.1862 14438.5456 244.3282 -203623.2035 2900.0014 0.0000 0.0000 52292.7652 -109271.6887 300.5272 -161564.4540 -108914.5661 299.4242 268.0185 293.1302 760072.4730 -7.9843 -8.1672 PRESSURE: 2247800 -95.9329 27.9517 173.634 27.9515 -272.657 -157.702 173.634 -157.704 43.0493 GPRESSURE: 2247800 -137.569 82.0615 179.207 19.4199 -209.415 -122.853 37.0588 -52.7977 108.284 PRESSAVG: 2247800 10.1265 -48.3663 -10.4508 -48.3663 -42.7494 -71.4757 -10.4508 -71.4756 -5.90444 GPRESSAVG: 2247800 11.4081 -50.4423 -10.836 -47.0198 -43.3752 -70.425 -8.5071 -70.1163 -6.04462 TIMING: 2247800 CPU: 7177.44, 0.0031662/step Wall: 7177.44, 0.0031662/step, 2.42056 hours remaining, 235.183594 MB of memory in use. ENERGY: 2247800 3950.4999 20470.0279 14474.6077 243.9527 -202808.8850 2023.1914 0.0000 0.0000 52248.4283 -109398.1772 300.2724 -161646.6055 -109035.7507 299.5048 -108.5134 -79.5666 758305.8963 -12.8424 -12.6706 PRESSURE: 2248000 10.2751 27.1843 86.0946 27.1847 106.024 209.021 86.0943 209.021 440.443 GPRESSURE: 2248000 138.994 -71.2145 27.8124 42.9292 130.126 190.987 68.4616 73.1492 380.139 PRESSAVG: 2248000 -41.7597 -8.49342 6.21269 -8.49342 6.77367 -21.0121 6.21268 -21.0122 22.267 GPRESSAVG: 2248000 -41.4756 -7.67749 7.03392 -10.289 7.10662 -20.6975 5.41209 -21.9064 21.541 TIMING: 2248000 CPU: 7178.08, 0.00315572/step Wall: 7178.08, 0.00315572/step, 2.41237 hours remaining, 235.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2248000 3991.7689 20594.7770 14373.2862 263.0648 -203111.5140 2610.1070 0.0000 0.0000 51897.0435 -109381.4665 298.2530 -161278.5101 -109027.1349 299.0251 185.5807 216.4195 759995.0767 -4.2397 -4.2760 PRESSURE: 2248200 -20.8612 -138.93 226.103 -138.931 148.895 0.186998 226.103 0.186751 -236.098 GPRESSURE: 2248200 21.8486 -37.1053 249.905 -112.259 152.475 -62.3477 226.519 123.473 -205.942 PRESSAVG: 2248200 -31.0068 -49.2393 17.1372 -49.2394 41.3172 5.54457 17.1372 5.54447 -6.00229 GPRESSAVG: 2248200 -32.0391 -48.953 16.8025 -47.18 42.9029 3.08143 17.2738 4.76164 -6.32348 TIMING: 2248200 CPU: 7178.71, 0.0031579/step Wall: 7178.71, 0.0031579/step, 2.41386 hours remaining, 235.183594 MB of memory in use. ENERGY: 2248200 3919.7973 20499.7454 14485.4071 235.1581 -203411.8105 2758.8392 0.0000 0.0000 52082.9905 -109429.8728 299.3217 -161512.8633 -109064.5126 299.5764 -36.0211 -10.5395 760310.7175 1.4360 1.5134 LDB: ============= START OF LOAD BALANCING ============== 7191.13 LDB: ============== END OF LOAD BALANCING =============== 7191.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7191.13 LDB: ============= START OF LOAD BALANCING ============== 7191.45 LDB: Largest compute 7071 load 0.033061 is 16.9% of average load 0.195486 LDB: Average compute 0.004385 is 2.2% of average load 0.195486 LDB: TIME 7191.45 LOAD: AVG 0.195486 MAX 0.213521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.137 MB LDB: TIME 7191.45 LOAD: AVG 0.195486 MAX 0.213521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.215 MB LDB: TIME 7191.45 LOAD: AVG 0.195486 MAX 0.213521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.215 MB LDB: ============== END OF LOAD BALANCING =============== 7191.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7191.46 PRESSURE: 2248400 -27.1398 25.64 -304.65 25.64 185.908 -48.4902 -304.649 -48.4892 446.318 GPRESSURE: 2248400 -40.9449 2.22156 -318.764 83.646 341.922 -18.1548 -271.143 22.0406 385.399 PRESSAVG: 2248400 1.75841 -52.2333 22.0047 -52.2334 30.6057 22.2121 22.0047 22.2121 -9.18313 GPRESSAVG: 2248400 1.91896 -51.8334 21.1215 -52.9266 29.7376 22.6476 23.4009 24.2011 -8.51533 TIMING: 2248400 CPU: 7179.35, 0.00322588/step Wall: 7179.35, 0.00322587/step, 2.46564 hours remaining, 233.878906 MB of memory in use. ENERGY: 2248400 3959.7082 20371.1017 14531.1718 240.4565 -203246.9808 2582.3460 0.0000 0.0000 52138.2227 -109423.9738 299.6391 -161562.1965 -109059.0205 299.5165 201.6956 228.7921 759049.7459 7.7270 7.7137 PRESSURE: 2248600 -342.182 -171.89 -104.205 -171.891 -25.8274 -154.835 -104.206 -154.833 -106.462 GPRESSURE: 2248600 -336.478 -197.257 -118.701 -184.335 35.6098 -276.258 -143.131 -122.795 -80.7213 PRESSAVG: 2248600 -51.7339 -55.8019 9.04337 -55.8019 8.47425 -13.3397 9.04335 -13.3397 5.40365 GPRESSAVG: 2248600 -53.0587 -55.953 8.83338 -55.2828 8.86013 -12.4443 8.07036 -12.8946 7.13708 TIMING: 2248600 CPU: 7179.98, 0.00313864/step Wall: 7179.98, 0.00313865/step, 2.3988 hours remaining, 233.878906 MB of memory in use. ENERGY: 2248600 3955.2355 20602.1284 14452.7576 268.7143 -202996.9042 2321.5247 0.0000 0.0000 51927.2406 -109469.3031 298.4266 -161396.5437 -109108.0037 299.5127 -158.1573 -127.1965 759588.6501 -12.6187 -12.3538 PRESSURE: 2248800 -243.548 -53.6309 69.7727 -53.6316 39.0271 112.742 69.7719 112.743 -394.984 GPRESSURE: 2248800 -148.549 -171.657 125.6 -84.5647 -14.8518 94.5903 80.1159 43.0229 -348.916 PRESSAVG: 2248800 -20.6158 -58.2871 -42.0435 -58.287 24.4768 -47.0548 -42.0435 -47.0548 -18.1456 GPRESSAVG: 2248800 -18.8729 -59.5906 -42.6339 -57.0612 24.3188 -47.2007 -43.6274 -46.9549 -19.8463 TIMING: 2248800 CPU: 7180.61, 0.0031365/step Wall: 7180.61, 0.0031365/step, 2.39698 hours remaining, 233.878906 MB of memory in use. ENERGY: 2248800 4028.5226 20552.5454 14417.6911 243.7037 -203148.3238 2364.8973 0.0000 0.0000 52221.1286 -109319.8350 300.1155 -161540.9636 -108956.8131 299.9726 -199.8350 -170.7720 760641.7292 -4.7616 -4.8001 PRESSURE: 2249000 -203.13 194.97 -126.161 194.97 -326.627 72.8366 -126.16 72.8361 177.062 GPRESSURE: 2249000 -165.672 161.782 -155.776 112.484 -213.763 45.1356 -90.5087 -28.1806 122.296 PRESSAVG: 2249000 30.0065 9.13193 -45.6561 9.13197 4.39812 -30.8055 -45.6561 -30.8055 23.4309 GPRESSAVG: 2249000 30.0961 10.3256 -43.8511 5.39971 4.45826 -30.172 -45.8231 -32.9801 22.8772 TIMING: 2249000 CPU: 7181.24, 0.00315157/step Wall: 7181.24, 0.00315158/step, 2.40833 hours remaining, 233.878906 MB of memory in use. ENERGY: 2249000 4023.8010 20638.8844 14507.0788 259.8304 -203255.4055 2360.8913 0.0000 0.0000 52280.6913 -109184.2283 300.4579 -161464.9196 -108829.5989 300.0031 -117.5647 -85.7126 759978.1586 19.2785 19.1439 PRESSURE: 2249200 -154.46 -17.0184 57.5623 -17.0187 -70.7344 151.921 57.5632 151.922 179.986 GPRESSURE: 2249200 -126.015 59.8332 -5.78296 -18.0607 -35.1805 57.8236 152.823 225.466 234.939 PRESSAVG: 2249200 -9.6879 -10.4994 -25.0009 -10.4994 -12.085 19.1001 -25.0009 19.1002 -7.04019 GPRESSAVG: 2249200 -9.55958 -9.28722 -25.5541 -7.50871 -12.1952 18.0608 -22.6446 19.4494 -7.1719 TIMING: 2249200 CPU: 7181.87, 0.00315392/step Wall: 7181.87, 0.00315392/step, 2.40995 hours remaining, 233.878906 MB of memory in use. ENERGY: 2249200 3938.6086 20553.1652 14473.2116 260.3890 -203319.6647 2632.3214 0.0000 0.0000 52222.9279 -109239.0410 300.1259 -161461.9689 -108882.7313 299.9043 -15.0694 24.5812 761094.4958 -9.6044 -9.6422 PRESSURE: 2249400 -49.6146 75.4971 -71.2663 75.496 -132.149 14.0648 -71.2671 14.0659 -437.166 GPRESSURE: 2249400 -35.9121 176.143 -140.992 58.8868 -81.5756 49.2472 32.0553 -102.094 -407.657 PRESSAVG: 2249400 25.9297 5.78184 -2.91598 5.78185 -36.6919 28.9878 -2.91602 28.9878 -13.1519 GPRESSAVG: 2249400 24.3825 5.85249 -2.45886 5.53216 -36.5607 30.0096 -4.82117 28.9372 -11.5682 TIMING: 2249400 CPU: 7182.5, 0.0031531/step Wall: 7182.5, 0.0031531/step, 2.40914 hours remaining, 233.878906 MB of memory in use. ENERGY: 2249400 3901.4436 20404.4321 14456.6032 231.9240 -203144.9522 2464.1733 0.0000 0.0000 52337.4878 -109348.8882 300.7843 -161686.3760 -108970.7030 299.7020 -206.3100 -175.0484 760704.8653 -7.9714 -7.9154 PRESSURE: 2249600 -304.341 -151.095 -16.1651 -151.095 -171.776 -302.816 -16.165 -302.817 -189.01 GPRESSURE: 2249600 -219.719 -88.0976 -93.0133 -154.544 -194.382 -278.324 33.7781 -285.986 -169.678 PRESSAVG: 2249600 54.0618 -33.2198 0.284635 -33.2198 -25.8451 2.8011 0.284572 2.80107 5.14217 GPRESSAVG: 2249600 54.3998 -32.8014 -0.201411 -34.2615 -25.3143 2.74381 2.13858 3.1907 4.18199 TIMING: 2249600 CPU: 7183.13, 0.00316795/step Wall: 7183.13, 0.00316795/step, 2.42031 hours remaining, 233.878906 MB of memory in use. ENERGY: 2249600 3946.8050 20525.0448 14453.0735 248.7722 -203204.3912 2359.1990 0.0000 0.0000 51992.2636 -109679.2332 298.8003 -161671.4968 -109314.0132 299.5002 -221.7091 -194.5930 758910.4257 11.1196 11.0891 PRESSURE: 2249800 -156.646 -47.1189 247.568 -47.1192 314.507 -122.379 247.569 -122.378 -319.69 GPRESSURE: 2249800 -95.3458 -69.8335 221.834 -90.9344 304.747 -50.7355 52.837 -68.632 -284.906 PRESSAVG: 2249800 83.9618 -4.72027 -27.7627 -4.7202 -81.7781 25.7805 -27.7626 25.7804 -28.5219 GPRESSAVG: 2249800 85.1165 -5.88421 -26.9678 -3.22279 -82.8493 27.1765 -29.3233 24.2723 -28.8449 TIMING: 2249800 CPU: 7183.76, 0.00315286/step Wall: 7183.76, 0.00315286/step, 2.40861 hours remaining, 233.878906 MB of memory in use. ENERGY: 2249800 3976.5396 20494.2804 14490.0647 262.9064 -203280.1790 2412.1910 0.0000 0.0000 52004.0209 -109640.1760 298.8678 -161644.1969 -109293.7903 299.3835 -53.9433 -25.1682 760026.6502 -8.7794 -8.8592 PRESSURE: 2250000 -107.179 15.8459 -34.0259 15.8465 -29.9646 112.701 -34.0258 112.702 119.727 GPRESSURE: 2250000 -75.9831 62.2136 -78.4715 3.75764 41.7126 43.2217 -107.558 85.7511 72.8149 PRESSAVG: 2250000 96.7546 -24.1456 28.2352 -24.1455 -89.6397 58.7147 28.2353 58.7148 -9.92319 GPRESSAVG: 2250000 95.3719 -24.2562 29.3067 -24.6475 -88.1452 57.0434 27.615 61.1303 -10.2584 TIMING: 2250000 CPU: 7184.39, 0.00313985/step Wall: 7184.39, 0.00313985/step, 2.3985 hours remaining, 233.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2250000 4008.7064 20628.9709 14466.2423 230.6992 -203175.1190 2369.1441 0.0000 0.0000 52122.9006 -109348.4555 299.5510 -161471.3561 -108988.6308 299.2233 -5.8054 12.8482 759928.9586 -0.9361 -1.0106 PRESSURE: 2250200 -67.6296 -8.74012 213.931 -8.73949 -77.4528 -29.7155 213.931 -29.7152 -154.235 GPRESSURE: 2250200 9.62249 -21.3498 188.513 -20.5484 -116.245 19.1971 235.352 -19.3712 -116.328 PRESSAVG: 2250200 75.578 36.0763 1.5919 36.0764 -42.4229 -2.93431 1.5919 -2.93428 -21.2879 GPRESSAVG: 2250200 75.3799 35.8756 0.602193 35.659 -43.4669 -2.4771 3.03113 -2.47093 -20.6609 TIMING: 2250200 CPU: 7185.02, 0.00314845/step Wall: 7185.02, 0.00314845/step, 2.40489 hours remaining, 233.878906 MB of memory in use. ENERGY: 2250200 3967.3094 20560.5197 14492.9189 251.6818 -203401.4889 2513.6335 0.0000 0.0000 52222.4515 -109392.9741 300.1231 -161615.4257 -109032.4601 299.6022 -99.7724 -74.3169 758926.1984 3.9557 3.7507 PRESSURE: 2250400 152.488 56.3422 292.889 56.3425 22.7381 70.8513 292.889 70.8511 -127.631 GPRESSURE: 2250400 93.987 61.5448 139.294 -1.30554 135.84 79.0428 167.864 -91.5657 -92.6844 PRESSAVG: 2250400 26.5633 42.3519 23.8117 42.3519 -23.248 32.2481 23.8118 32.2481 27.0397 GPRESSAVG: 2250400 26.3097 41.0146 22.82 41.8893 -22.0515 31.4 21.4496 29.1187 26.1655 TIMING: 2250400 CPU: 7185.65, 0.00315727/step Wall: 7185.65, 0.00315727/step, 2.41145 hours remaining, 233.878906 MB of memory in use. ENERGY: 2250400 3919.8011 20701.6362 14458.8650 241.1359 -203428.6139 2643.3368 0.0000 0.0000 52193.0661 -109270.7727 299.9543 -161463.8388 -108905.9640 300.2141 15.8650 45.7141 759694.4531 10.1183 10.1412 PRESSURE: 2250600 104.823 -109.095 109.839 -109.096 -473.626 -81.8778 109.839 -81.878 36.8671 GPRESSURE: 2250600 231.323 -45.1277 128.469 -118.939 -571.136 -42.089 125.277 -131.069 112.037 PRESSAVG: 2250600 33.3594 33.8682 31.2259 33.8682 -63.7929 19.3848 31.2259 19.3849 -21.7315 GPRESSAVG: 2250600 34.6968 35.864 31.2505 35.1726 -64.9522 19.8439 33.9218 22.7919 -21.6396 TIMING: 2250600 CPU: 7186.28, 0.00314214/step Wall: 7186.28, 0.00314214/step, 2.39972 hours remaining, 233.878906 MB of memory in use. ENERGY: 2250600 3992.3416 20704.9246 14503.5257 265.0001 -203154.0717 2361.5964 0.0000 0.0000 52096.7729 -109229.9104 299.4009 -161326.6833 -108870.1781 299.9276 -110.6453 -75.9252 761849.5484 -17.3883 -17.2983 PRESSURE: 2250800 142.988 64.6665 -114.047 64.6671 -323.671 100.835 -114.046 100.835 -122.569 GPRESSURE: 2250800 86.349 48.4617 -123.881 -65.6854 -213.352 -34.6069 -135.838 22.7739 -85.2872 PRESSAVG: 2250800 87.9869 29.8762 28.5042 29.8763 -94.8729 -50.5788 28.5042 -50.5789 -1.073 GPRESSAVG: 2250800 87.4893 27.2981 28.2799 29.3894 -95.1044 -50.9607 29.0195 -52.349 -0.412121 TIMING: 2250800 CPU: 7186.91, 0.00313738/step Wall: 7186.91, 0.00313738/step, 2.39591 hours remaining, 233.878906 MB of memory in use. ENERGY: 2250800 3967.8248 20638.1226 14442.1911 238.9242 -203182.8262 2539.0041 0.0000 0.0000 52178.7569 -109178.0024 299.8720 -161356.7593 -108818.8936 300.2257 -101.0840 -70.7633 761335.3264 -2.6530 -2.6757 PRESSURE: 2251000 81.8823 -105.505 337.934 -105.505 115.763 73.5673 337.934 73.5673 -83.4609 GPRESSURE: 2251000 112.634 31.2187 261.521 -96.999 161.538 50.7676 256.483 76.9642 -76.4494 PRESSAVG: 2251000 92.6802 50.946 70.4782 50.946 -100.833 35.8004 70.4782 35.8003 11.2408 GPRESSAVG: 2251000 94.0296 53.6004 69.8282 49.2524 -102.373 36.7731 69.0814 34.9788 11.1583 TIMING: 2251000 CPU: 7187.54, 0.00317969/step Wall: 7187.54, 0.00317969/step, 2.42804 hours remaining, 233.878906 MB of memory in use. ENERGY: 2251000 4035.8419 20380.5879 14455.2208 235.4696 -203154.4190 2416.9382 0.0000 0.0000 52392.9439 -109237.4167 301.1030 -161630.3606 -108878.8083 300.3319 38.0615 65.9075 759431.5455 1.0292 0.9382 PRESSURE: 2251200 -95.5344 147.113 198.316 147.114 -39.7341 -149.734 198.316 -149.734 -181.443 GPRESSURE: 2251200 -50.9174 93.8418 173.021 188.427 -74.6725 -80.7482 160.581 -161.609 -133.263 PRESSAVG: 2251200 28.474 -3.37793 75.0011 -3.37797 -45.1835 12.5871 75.0011 12.587 -11.6154 GPRESSAVG: 2251200 27.0557 -5.03248 75.3056 -1.35146 -43.9048 12.4832 76.5566 14.2827 -12.1337 TIMING: 2251200 CPU: 7188.17, 0.00315001/step Wall: 7188.17, 0.00315001/step, 2.40521 hours remaining, 233.878906 MB of memory in use. ENERGY: 2251200 4089.5626 20494.0865 14461.2680 263.8278 -203273.9402 2425.9134 0.0000 0.0000 52222.3929 -109316.8890 300.1228 -161539.2819 -108952.6502 300.2866 -105.5705 -86.2843 759164.9385 -9.4417 -9.6609 PRESSURE: 2251400 176.236 -163.52 0.100383 -163.52 200.741 -4.69449 0.100027 -4.69352 574.546 GPRESSURE: 2251400 199.955 -182.067 -3.34637 -187.685 285.397 9.2101 -38.4582 -33.8803 550.336 PRESSAVG: 2251400 -20.8705 -0.898156 29.1615 -0.8982 9.70772 55.6482 29.1616 55.6483 12.2814 GPRESSAVG: 2251400 -20.7211 0.459076 28.7457 -2.2653 9.94197 54.6574 27.7606 55.3333 11.8936 TIMING: 2251400 CPU: 7188.81, 0.00316078/step Wall: 7188.81, 0.00316078/step, 2.41325 hours remaining, 233.878906 MB of memory in use. ENERGY: 2251400 3909.4095 20554.4725 14474.3305 245.0229 -203301.6200 2514.2295 0.0000 0.0000 52065.1501 -109539.0051 299.2191 -161604.1551 -109165.4475 299.5676 317.1744 345.2293 757915.9315 0.3729 0.3715 PRESSURE: 2251600 -66.5543 20.1896 -57.5861 20.1898 -249.871 269.45 -57.5853 269.449 -22.6322 GPRESSURE: 2251600 16.0883 -11.6866 -31.9488 -30.5347 -251.794 243.832 27.3379 291.819 -7.47538 PRESSAVG: 2251600 7.15421 -66.6414 12.8899 -66.6414 -34.6249 47.9709 12.8899 47.9709 5.21407 GPRESSAVG: 2251600 7.66344 -67.3425 13.0561 -67.8213 -36.2824 48.6911 13.609 48.3551 6.17707 TIMING: 2251600 CPU: 7189.44, 0.00315185/step Wall: 7189.44, 0.00315185/step, 2.40626 hours remaining, 233.878906 MB of memory in use. ENERGY: 2251600 4051.6983 20494.5243 14541.9496 235.6625 -203310.7923 2457.7088 0.0000 0.0000 51948.9063 -109580.3424 298.5511 -161529.2488 -109230.4406 299.3515 -113.0190 -81.0605 759169.5140 -7.4189 -7.4806 PRESSURE: 2251800 -250.033 30.9951 -165.248 30.9949 -375.937 -0.133415 -165.248 -0.13333 384.553 GPRESSURE: 2251800 -181.305 -154.563 -145.561 112.32 -331.975 13.4091 -208.919 -39.9893 354.927 PRESSAVG: 2251800 27.7459 -56.7415 22.6969 -56.7415 -62.5984 21.0169 22.6969 21.0168 15.9376 GPRESSAVG: 2251800 27.271 -57.3176 23.5493 -54.9902 -61.1496 21.0053 21.7914 20.4875 14.9609 TIMING: 2251800 CPU: 7190.07, 0.00314524/step Wall: 7190.07, 0.00314524/step, 2.40104 hours remaining, 233.878906 MB of memory in use. ENERGY: 2251800 3997.8172 20534.1797 14511.0123 256.1109 -203307.1877 2358.9030 0.0000 0.0000 51990.1167 -109659.0479 298.7879 -161649.1647 -109283.0721 299.1007 -80.4724 -52.7842 758756.4311 -6.3050 -6.3059 PRESSURE: 2252000 -89.053 -88.0225 -54.6513 -88.0224 183.661 32.9146 -54.6515 32.9142 202.4 GPRESSURE: 2252000 40.9672 -96.9357 12.8929 -129.369 189.737 43.9577 -41.0611 100.404 164.932 PRESSAVG: 2252000 43.5121 -58.5108 -27.8173 -58.5108 -74.1949 45.9229 -27.8172 45.9228 8.24397 GPRESSAVG: 2252000 43.5617 -58.7568 -27.8353 -59.3432 -74.6015 46.8522 -25.6931 44.9455 8.84966 TIMING: 2252000 CPU: 7190.7, 0.0031513/step Wall: 7190.7, 0.0031513/step, 2.40549 hours remaining, 233.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2252000 3973.0547 20478.6175 14413.9055 244.4468 -203493.7973 2464.3494 0.0000 0.0000 52062.0281 -109857.3953 299.2012 -161919.4234 -109489.3677 298.8666 99.0026 131.8789 758736.0957 -7.4796 -7.3967 PRESSURE: 2252200 54.3504 -51.5621 -63.5011 -51.562 230.264 116.122 -63.5016 116.122 -105.745 GPRESSURE: 2252200 80.6018 -45.3257 -30.5006 37.0807 282.416 74.6096 81.2395 110.216 -123.008 PRESSAVG: 2252200 -5.76544 -6.49456 31.4088 -6.49448 -49.8491 11.2516 31.4088 11.2515 19.3417 GPRESSAVG: 2252200 -5.43407 -5.11245 32.1893 -6.43445 -50.4908 10.0139 30.1355 12.2463 19.4272 TIMING: 2252200 CPU: 7191.32, 0.00314571/step Wall: 7191.32, 0.00314571/step, 2.40105 hours remaining, 233.878906 MB of memory in use. ENERGY: 2252200 4005.1207 20600.9012 14455.6550 263.0499 -203518.1898 2373.3084 0.0000 0.0000 51967.8937 -109852.2609 298.6602 -161820.1546 -109494.7751 298.6666 59.6231 80.0034 758832.5803 -12.0910 -12.1659 LDB: ============= START OF LOAD BALANCING ============== 7203.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7203.75 LDB: =============== DONE WITH MIGRATION ================ 7203.75 LDB: ============= START OF LOAD BALANCING ============== 7204.07 LDB: Largest compute 7032 load 0.032797 is 16.8% of average load 0.195428 LDB: Average compute 0.004401 is 2.3% of average load 0.195428 LDB: TIME 7204.08 LOAD: AVG 0.195428 MAX 0.216507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 7204.08 LOAD: AVG 0.195428 MAX 0.216507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: TIME 7204.08 LOAD: AVG 0.195428 MAX 0.216507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: ============== END OF LOAD BALANCING =============== 7204.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7204.08 PRESSURE: 2252400 -65.0178 -196.029 -117.12 -196.029 -113.116 -74.3711 -117.12 -74.3707 81.506 GPRESSURE: 2252400 -31.4767 -111.702 -89.6799 -166.669 -66.0267 -223.021 7.98252 -34.8019 72.3896 PRESSAVG: 2252400 13.1627 -53.0963 -5.7977 -53.0964 -16.0518 -25.0415 -5.79769 -25.0415 13.5206 GPRESSAVG: 2252400 12.998 -52.8962 -5.03895 -50.9897 -16.2648 -24.8415 -6.02657 -23.4734 13.7312 TIMING: 2252400 CPU: 7191.98, 0.00325948/step Wall: 7191.98, 0.00325948/step, 2.48771 hours remaining, 234.710938 MB of memory in use. ENERGY: 2252400 3991.3812 20580.7914 14496.4779 248.8899 -203212.1446 2330.0359 0.0000 0.0000 51729.6041 -109834.9643 297.2907 -161564.5684 -109476.1850 298.4895 -32.2091 -8.3713 761159.8279 3.5438 3.4881 PRESSURE: 2252600 46.3613 136.203 -22.2468 136.204 -26.5402 71.0572 -22.247 71.0571 -387.733 GPRESSURE: 2252600 126.783 71.2591 -46.2015 80.3706 -8.57843 0.514702 -93.2989 123.447 -391.328 PRESSAVG: 2252600 31.1133 -44.3053 -23.9526 -44.3053 -38.8078 -11.1131 -23.9525 -11.1131 0.71636 GPRESSAVG: 2252600 31.0309 -47.2482 -24.5611 -44.3355 -38.9042 -12.2858 -22.4493 -12.0526 0.411513 TIMING: 2252600 CPU: 7192.62, 0.00319316/step Wall: 7192.62, 0.00319316/step, 2.43691 hours remaining, 234.710938 MB of memory in use. ENERGY: 2252600 4000.8885 20552.4030 14476.6941 245.6620 -203363.3766 2341.1473 0.0000 0.0000 51866.3611 -109880.2206 298.0767 -161746.5816 -109524.5335 298.9258 -122.6374 -91.0413 760721.6999 -2.3260 -2.4873 PRESSURE: 2252800 0.343804 -49.5111 171.021 -49.5112 -175.512 81.9416 171.021 81.9435 -181.24 GPRESSURE: 2252800 24.5768 -79.0507 181.163 -96.2934 -156.963 20.5068 15.9449 108.433 -143.791 PRESSAVG: 2252800 63.5985 -34.9214 -17.1107 -34.9214 -53.1562 44.9419 -17.1107 44.9419 28.6845 GPRESSAVG: 2252800 64.2498 -33.8108 -17.1727 -35.8267 -52.3479 45.9718 -18.5773 43.7701 27.8814 TIMING: 2252800 CPU: 7193.25, 0.00317724/step Wall: 7193.25, 0.00317724/step, 2.42459 hours remaining, 234.710938 MB of memory in use. ENERGY: 2252800 3998.2661 20426.5402 14495.4747 243.6135 -203451.0253 2453.0406 0.0000 0.0000 51930.1441 -109903.9460 298.4433 -161834.0900 -109547.6628 299.2375 -118.8027 -92.0592 759688.0972 13.0423 13.2611 PRESSURE: 2253000 153.646 -95.8505 -16.7582 -95.8489 -204.123 119.786 -16.7585 119.786 -27.7595 GPRESSURE: 2253000 103.921 -150.764 5.96194 35.7338 -61.7375 29.8288 93.9468 154.825 -43.4758 PRESSAVG: 2253000 48.8301 -55.4673 29.3199 -55.4672 -41.9635 -26.9045 29.3199 -26.9045 16.8203 GPRESSAVG: 2253000 47.6215 -54.867 29.279 -54.5709 -41.248 -28.49 30.058 -24.8673 17.885 TIMING: 2253000 CPU: 7193.88, 0.00316024/step Wall: 7193.88, 0.00316024/step, 2.41144 hours remaining, 234.710938 MB of memory in use. ENERGY: 2253000 3917.8294 20512.7190 14467.3876 238.8433 -203656.9264 2379.6262 0.0000 0.0000 52116.3034 -110024.2176 299.5131 -162140.5209 -109658.4839 298.9260 -26.0786 -0.4307 760370.0340 7.8956 8.0862 PRESSURE: 2253200 -91.6962 -245.887 148.897 -245.886 345.324 -61.1929 148.897 -61.194 -483.937 GPRESSURE: 2253200 -59.0487 -254.264 74.8728 -241.669 396.455 -44.1688 113.506 82.5251 -480.397 PRESSAVG: 2253200 17.01 -75.5303 18.5503 -75.5303 -67.3643 -13.5439 18.5502 -13.5438 -16.8063 GPRESSAVG: 2253200 17.2238 -75.5134 18.8258 -76.0802 -67.2699 -11.9112 17.064 -13.5552 -16.7913 TIMING: 2253200 CPU: 7194.51, 0.00314434/step Wall: 7194.51, 0.00314434/step, 2.39913 hours remaining, 234.710938 MB of memory in use. ENERGY: 2253200 3921.2568 20352.4434 14408.4809 251.2924 -203586.8854 2533.3313 0.0000 0.0000 52144.6932 -109975.3873 299.6763 -162120.0805 -109607.8239 298.3810 -76.7696 -47.6633 760436.1445 -22.3869 -22.2791 PRESSURE: 2253400 -359.072 280.895 -133.784 280.895 90.5953 109.73 -133.784 109.73 -74.6879 GPRESSURE: 2253400 -254.194 181.335 -137.701 165.14 25.3557 132.642 -96.2818 21.9212 -22.3699 PRESSAVG: 2253400 17.0357 -41.2123 24.8587 -41.2123 -28.3269 31.8872 24.8587 31.8873 -42.9573 GPRESSAVG: 2253400 18.3426 -41.6425 23.699 -41.9761 -29.616 30.9169 25.3696 31.8177 -43.1916 TIMING: 2253400 CPU: 7195.14, 0.0031414/step Wall: 7195.14, 0.0031414/step, 2.39672 hours remaining, 234.710938 MB of memory in use. ENERGY: 2253400 3988.4278 20606.4795 14412.1561 243.2625 -203474.7752 2417.8812 0.0000 0.0000 51784.3724 -110022.1957 297.6055 -161806.5681 -109664.8169 298.0295 -114.3882 -83.7361 760626.5554 -18.0828 -18.1550 PRESSURE: 2253600 146.983 -24.1683 382.962 -24.1684 -201.953 -234.371 382.962 -234.373 58.1911 GPRESSURE: 2253600 167.866 -48.4066 313.442 -94.0335 -119.88 -242.161 321.919 -182.668 45.5691 PRESSAVG: 2253600 11.3444 -10.2895 47.8184 -10.2896 -59.6159 -2.65537 47.8184 -2.65534 6.63726 GPRESSAVG: 2253600 10.4274 -9.43753 49.403 -10.7971 -59.6963 -0.0412406 47.3392 -2.93187 7.4085 TIMING: 2253600 CPU: 7195.77, 0.00316281/step Wall: 7195.77, 0.00316281/step, 2.41287 hours remaining, 234.710938 MB of memory in use. ENERGY: 2253600 3979.0797 20578.5077 14419.2940 238.1964 -204031.1425 2826.9145 0.0000 0.0000 51691.3453 -110297.8048 297.0709 -161989.1502 -109949.7619 297.7124 1.0739 31.1849 761284.9779 -13.8781 -13.9535 PRESSURE: 2253800 -137.716 -107.11 107.576 -107.11 -34.3245 1.66998 107.576 1.66916 154.786 GPRESSURE: 2253800 -72.1174 -70.9261 133.579 6.16946 30.081 17.4802 100.415 25.0757 129.462 PRESSAVG: 2253800 58.5461 15.7484 72.9848 15.7484 -34.0587 -28.4668 72.9849 -28.4669 11.5223 GPRESSAVG: 2253800 58.5014 16.1543 74.3939 18.7182 -32.9985 -29.3691 71.2469 -28.1236 9.99065 TIMING: 2253800 CPU: 7196.4, 0.00314535/step Wall: 7196.4, 0.00314535/step, 2.39937 hours remaining, 234.710938 MB of memory in use. ENERGY: 2253800 3995.0093 20466.5541 14528.9053 229.5068 -204014.3616 2845.7215 0.0000 0.0000 51534.8076 -110413.8570 296.1712 -161948.6646 -110051.2483 297.5244 -5.7513 29.1418 761326.2368 12.0032 11.8312 PRESSURE: 2254000 229.395 -181.881 5.61099 -181.882 -4.07387 76.7319 5.61136 76.7306 -65.8006 GPRESSURE: 2254000 315.701 -196.666 58.4566 -292.966 18.0946 71.3522 16.8761 165.842 -119.851 PRESSAVG: 2254000 77.4826 10.6772 12.5265 10.6773 -101.212 37.454 12.5264 37.454 -16.9728 GPRESSAVG: 2254000 78.4988 9.51441 10.9207 9.80362 -102.566 36.2664 13.357 37.5911 -17.099 TIMING: 2254000 CPU: 7197.03, 0.00313132/step Wall: 7197.03, 0.00313132/step, 2.3885 hours remaining, 234.710938 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: 2254000 3942.3286 20584.8665 14430.7197 246.8233 -203803.2354 2607.6983 0.0000 0.0000 51746.7353 -110244.0637 297.3892 -161990.7990 -109879.7982 297.9176 53.1735 71.3147 760014.5067 -13.5674 -13.7219 PRESSURE: 2254200 279.559 -258.553 17.4871 -258.552 410.025 53.2679 17.4874 53.2677 79.4536 GPRESSURE: 2254200 310.664 -269.629 -87.2338 -217.498 440.934 142.497 154.844 -40.2263 106.722 PRESSAVG: 2254200 8.31279 -45.3739 55.3823 -45.3739 -22.2636 -3.02847 55.3823 -3.02844 7.56154 GPRESSAVG: 2254200 7.41525 -44.4404 54.5433 -45.1953 -21.0118 -2.33097 57.8505 -3.84571 7.53483 TIMING: 2254200 CPU: 7197.65, 0.00312959/step Wall: 7197.65, 0.00312959/step, 2.387 hours remaining, 234.710938 MB of memory in use. ENERGY: 2254200 3984.0940 20359.4478 14467.8880 244.4601 -203913.1131 2873.1512 0.0000 0.0000 51937.5125 -110046.5595 298.4856 -161984.0720 -109676.5140 297.7912 256.3460 286.1067 760073.2441 -2.1298 -2.0206 PRESSURE: 2254400 -148.413 56.1405 -9.02039 56.1398 -200.417 -164.43 -9.02123 -164.43 -74.3313 GPRESSURE: 2254400 -119.65 132.455 -77.2334 34.1885 -163.097 -64.2698 -55.367 -181.084 -52.9999 PRESSAVG: 2254400 49.6671 15.6332 -12.8445 15.6332 -96.0032 1.42384 -12.8445 1.42378 3.39453 GPRESSAVG: 2254400 49.3929 14.9454 -11.8903 15.3322 -96.2888 2.76627 -13.9539 -0.0593122 4.17833 TIMING: 2254400 CPU: 7198.28, 0.00314738/step Wall: 7198.28, 0.00314738/step, 2.4004 hours remaining, 234.710938 MB of memory in use. ENERGY: 2254400 4056.4960 20339.5013 14514.9936 250.3331 -203565.5354 2560.2381 0.0000 0.0000 51881.0727 -109962.9007 298.1612 -161843.9733 -109609.7305 298.3348 -141.0536 -111.9159 761519.1146 -14.3139 -14.2392 PRESSURE: 2254600 264.961 -129.254 -191.511 -129.254 -117.812 -270.371 -191.511 -270.371 286.231 GPRESSURE: 2254600 352.049 -39.8028 -166.234 17.0704 -131.796 -225.461 -176.408 -225.171 299.467 PRESSAVG: 2254600 13.7017 -29.2096 3.2865 -29.2095 -59.0806 -8.39123 3.28653 -8.39123 6.64141 GPRESSAVG: 2254600 13.2995 -28.9851 3.90645 -29.2158 -57.9529 -8.54296 3.67863 -6.27545 5.9199 TIMING: 2254600 CPU: 7198.91, 0.00311836/step Wall: 7198.91, 0.00311836/step, 2.37809 hours remaining, 234.710938 MB of memory in use. ENERGY: 2254600 3937.0471 20369.2708 14445.6140 232.2665 -203638.1702 2582.3316 0.0000 0.0000 52074.9032 -109996.7369 299.2752 -162071.6402 -109632.8140 298.2960 144.4602 173.2402 759090.1716 -12.9125 -12.9112 PRESSURE: 2254800 189.653 -38.161 123.837 -38.1612 131.175 -115.388 123.839 -115.388 197.799 GPRESSURE: 2254800 219.801 72.0763 167.755 -38.0962 165.383 -120.557 -41.0809 -37.4438 206.564 PRESSAVG: 2254800 5.72202 9.86704 8.82725 9.86707 33.8832 -6.77674 8.82722 -6.77669 4.65289 GPRESSAVG: 2254800 5.62943 10.8559 9.34048 8.52459 32.9968 -8.39504 6.47051 -7.17509 5.21798 TIMING: 2254800 CPU: 7199.53, 0.00311769/step Wall: 7199.53, 0.00311769/step, 2.37742 hours remaining, 234.710938 MB of memory in use. ENERGY: 2254800 3929.7176 20408.6249 14341.9665 251.1164 -203916.1158 2833.9586 0.0000 0.0000 52044.6182 -110106.1136 299.1011 -162150.7318 -109740.3958 298.4029 172.8756 197.2494 760599.0731 14.7527 14.6147 PRESSURE: 2255000 91.5774 -4.91423 -242.356 -4.91433 -237.652 -118.481 -242.356 -118.482 144.969 GPRESSURE: 2255000 73.0706 -55.5784 -185.057 13.7748 -181.54 -54.3051 -238.198 -90.8461 191.424 PRESSAVG: 2255000 33.7174 -9.21848 -31.61 -9.21852 -15.7862 -30.292 -31.61 -30.292 -9.26097 GPRESSAVG: 2255000 34.2414 -8.88548 -32.6034 -6.99215 -15.7635 -31.8717 -29.4656 -30.1485 -10.6449 TIMING: 2255000 CPU: 7200.16, 0.00312946/step Wall: 7200.16, 0.00312946/step, 2.38621 hours remaining, 234.710938 MB of memory in use. ENERGY: 2255000 4070.0765 20460.5955 14414.4754 259.8166 -203952.8602 2739.8412 0.0000 0.0000 51954.5285 -110053.5264 298.5834 -162008.0549 -109695.6898 298.3803 -0.3685 27.6515 759443.3017 2.8901 2.6110 PRESSURE: 2255200 -66.9509 149.68 -86.2218 149.68 -164.656 -231.953 -86.2209 -231.952 -139.409 GPRESSURE: 2255200 -61.083 60.7547 -20.5741 80.9006 -154.673 -366.757 -163.945 -239.493 -76.8456 PRESSAVG: 2255200 25.4745 -17.963 -36.858 -17.963 -19.9354 -6.21137 -36.8579 -6.2113 10.3026 GPRESSAVG: 2255200 24.5764 -19.3549 -36.5828 -18.1482 -21.5554 -4.86741 -36.9822 -5.23958 12.309 TIMING: 2255200 CPU: 7200.78, 0.00314092/step Wall: 7200.78, 0.00314092/step, 2.39477 hours remaining, 234.710938 MB of memory in use. ENERGY: 2255200 4030.3567 20612.3391 14422.5270 268.3598 -203737.0366 2668.6275 0.0000 0.0000 51800.6216 -109934.2049 297.6989 -161734.8265 -109586.1835 298.2586 -123.6720 -97.5337 760117.5507 5.2805 5.1100 PRESSURE: 2255400 318.319 -7.9721 82.8468 -7.97207 184.733 4.16904 82.8466 4.1689 178.958 GPRESSURE: 2255400 332.07 1.30812 125.008 -50.8953 285.025 85.6561 78.4729 -75.822 142.353 PRESSAVG: 2255400 16.0446 35.1495 -68.4376 35.1496 -31.9661 -2.85885 -68.4376 -2.85884 13.6218 GPRESSAVG: 2255400 15.6958 34.652 -68.4625 35.9392 -30.4502 -3.04757 -69.932 -2.30667 12.4991 TIMING: 2255400 CPU: 7201.41, 0.00314671/step Wall: 7201.41, 0.00314671/step, 2.39901 hours remaining, 234.710938 MB of memory in use. ENERGY: 2255400 3884.3749 20508.7721 14466.0159 238.7941 -203862.8134 2831.6553 0.0000 0.0000 51832.3811 -110100.8199 297.8814 -161933.2010 -109739.0364 298.2685 227.3366 253.1494 760461.8251 -0.7666 -0.7518 PRESSURE: 2255600 -341.673 -145.19 -101.314 -145.191 -704.741 160.229 -101.314 160.228 -148.384 GPRESSURE: 2255600 -253.438 -151.08 -40.823 -116.772 -616.591 210.089 -73.5591 41.0279 -246.779 PRESSAVG: 2255600 68.076 -34.1469 -19.7311 -34.1469 -53.805 -19.9738 -19.7312 -19.9738 -16.8762 GPRESSAVG: 2255600 67.6118 -33.0906 -21.3102 -36.9238 -54.2852 -19.8824 -19.2445 -20.1801 -16.1719 TIMING: 2255600 CPU: 7202.04, 0.00313711/step Wall: 7202.04, 0.00313711/step, 2.39152 hours remaining, 234.710938 MB of memory in use. ENERGY: 2255600 4042.9242 20405.8151 14495.5117 240.4530 -203519.9971 2479.7392 0.0000 0.0000 51931.9051 -109923.6488 298.4534 -161855.5539 -109558.7893 298.0956 -398.2661 -372.2693 760643.8219 -0.8684 -0.9485 PRESSURE: 2255800 175.096 36.5866 42.2011 36.5875 216.554 -120.926 42.2008 -120.926 -16.1473 GPRESSURE: 2255800 142.42 31.0449 -1.45641 68.5225 271.344 -10.3395 28.7942 -51.5783 50.5448 PRESSAVG: 2255800 22.1521 -22.8981 -49.7073 -22.8981 -43.2249 10.9347 -49.7073 10.9347 6.18107 GPRESSAVG: 2255800 23.0331 -21.8088 -49.145 -22.4576 -41.6615 12.4047 -48.4196 10.6161 3.80478 TIMING: 2255800 CPU: 7202.67, 0.00315831/step Wall: 7202.67, 0.00315831/step, 2.40751 hours remaining, 234.710938 MB of memory in use. ENERGY: 2255800 3956.6756 20433.5073 14410.3093 248.4967 -203863.9999 2753.9208 0.0000 0.0000 52160.3527 -109900.7376 299.7663 -162061.0903 -109522.2999 298.3608 125.1675 154.7696 759299.9997 -4.9639 -4.9412 PRESSURE: 2256000 90.6441 -217.036 -35.6213 -217.036 33.1156 105.147 -35.6213 105.147 85.9893 GPRESSURE: 2256000 129.666 -123.625 60.9255 -311.554 68.4664 56.571 20.4593 247.939 86.0773 PRESSAVG: 2256000 30.7219 -39.2115 15.2642 -39.2116 -12.4008 0.365093 15.2642 0.365162 1.93495 GPRESSAVG: 2256000 30.0321 -39.6787 14.7623 -40.6844 -13.1881 0.607851 14.5946 1.12653 3.60172 TIMING: 2256000 CPU: 7203.3, 0.00314879/step Wall: 7203.3, 0.00314879/step, 2.40008 hours remaining, 234.710938 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: 2256000 4004.0844 20398.9609 14471.0819 248.2355 -203405.8025 2540.6869 0.0000 0.0000 51913.4440 -109829.3090 298.3473 -161742.7529 -109467.8226 298.6753 69.9163 94.7366 759914.3123 6.7520 6.8153 PRESSURE: 2256200 233.866 -94.9648 -24.4773 -94.965 -121.587 172.347 -24.4771 172.346 -103.597 GPRESSURE: 2256200 224.153 -210.539 9.70557 -47.5005 9.08952 88.3815 -6.97821 106.69 -122.827 PRESSAVG: 2256200 62.0298 -82.5375 -11.3208 -82.5375 -67.9256 26.5986 -11.3208 26.5986 7.65997 GPRESSAVG: 2256200 62.5822 -82.3815 -9.21345 -81.8485 -68.0029 26.6195 -13.3746 27.1049 7.47513 TIMING: 2256200 CPU: 7203.93, 0.00313215/step Wall: 7203.93, 0.00313215/step, 2.38722 hours remaining, 234.710938 MB of memory in use. ENERGY: 2256200 4055.3131 20453.7359 14536.5418 267.5847 -203374.7521 2412.7446 0.0000 0.0000 51782.8148 -109866.0171 297.5965 -161648.8319 -109517.6292 298.6902 2.8939 36.8052 760653.0891 0.5880 0.6848 LDB: ============= START OF LOAD BALANCING ============== 7216.35 LDB: ============== END OF LOAD BALANCING =============== 7216.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7216.35 LDB: ============= START OF LOAD BALANCING ============== 7216.67 LDB: Largest compute 7075 load 0.033927 is 17.4% of average load 0.195435 LDB: Average compute 0.004399 is 2.3% of average load 0.195435 LDB: TIME 7216.67 LOAD: AVG 0.195435 MAX 0.21484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.926 MB LDB: TIME 7216.67 LOAD: AVG 0.195435 MAX 0.21484 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.129 MB LDB: TIME 7216.67 LOAD: AVG 0.195435 MAX 0.21484 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.129 MB LDB: ============== END OF LOAD BALANCING =============== 7216.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7216.68 PRESSURE: 2256400 -179.09 44.7403 -234.132 44.7408 -113.765 35.542 -234.132 35.5411 -220.798 GPRESSURE: 2256400 -167.11 90.3827 -194.844 -88.6306 -51.8143 80.3563 -134.132 -14.8824 -225.225 PRESSAVG: 2256400 -13.6967 6.54838 -0.812675 6.54848 7.25216 4.43131 -0.812708 4.43127 -6.91088 GPRESSAVG: 2256400 -13.3001 6.57942 -3.82125 6.03114 7.23848 2.64631 4.01539 1.86558 -7.21586 TIMING: 2256400 CPU: 7204.57, 0.00321158/step Wall: 7204.57, 0.00321158/step, 2.44758 hours remaining, 233.101562 MB of memory in use. ENERGY: 2256400 3930.1114 20447.0005 14433.9964 241.4445 -203307.2885 2345.7219 0.0000 0.0000 52091.6764 -109817.3374 299.3716 -161909.0138 -109464.1782 298.5196 -171.2178 -148.0501 761342.5766 -4.4518 -4.4258 PRESSURE: 2256600 -252.859 -24.9256 -77.6319 -24.9262 119.411 -122.078 -77.631 -122.079 194.315 GPRESSURE: 2256600 -218.739 -1.27454 7.95109 -73.675 112.497 -106.945 8.75396 -97.2121 262.113 PRESSAVG: 2256600 9.00832 45.2565 -22.4813 45.2565 4.85124 -3.22788 -22.4813 -3.22794 0.828777 GPRESSAVG: 2256600 7.88641 43.9222 -20.4444 46.9424 4.75524 -1.37694 -24.3528 -3.07179 2.15866 TIMING: 2256600 CPU: 7205.21, 0.00318324/step Wall: 7205.21, 0.00318324/step, 2.42581 hours remaining, 233.101562 MB of memory in use. ENERGY: 2256600 3921.8227 20471.5997 14397.9618 247.9695 -203456.8629 2405.1274 0.0000 0.0000 51891.8196 -110120.5623 298.2230 -162012.3819 -109752.7092 298.4690 20.2889 51.9570 759326.0467 4.8961 4.9334 PRESSURE: 2256800 207.726 -140.598 -18.4124 -140.598 288.078 38.2017 -18.412 38.201 -98.0509 GPRESSURE: 2256800 218.702 -126.375 -64.1863 -218.034 337.99 50.6955 82.3231 38.4505 -86.1687 PRESSAVG: 2256800 -29.8009 -61.519 -4.30929 -61.5189 19.8067 -32.4013 -4.30926 -32.4012 5.61246 GPRESSAVG: 2256800 -28.3378 -59.8856 -6.18119 -62.6368 19.6184 -31.7392 -2.16591 -34.08 5.01552 TIMING: 2256800 CPU: 7205.84, 0.00314936/step Wall: 7205.84, 0.00314936/step, 2.39981 hours remaining, 233.101562 MB of memory in use. ENERGY: 2256800 3886.1722 20414.3873 14497.4875 249.6114 -203653.7908 2609.7991 0.0000 0.0000 51805.1525 -110191.1808 297.7249 -161996.3333 -109831.8535 297.8819 132.5843 156.8409 759061.3311 -1.4606 -1.2346 PRESSURE: 2257000 -141.685 39.5613 58.1325 39.5618 -71.4941 214.786 58.1327 214.785 741.285 GPRESSURE: 2257000 -67.6838 41.1662 79.8712 44.2766 -54.3108 302.733 128.876 237.131 729.612 PRESSAVG: 2257000 21.9165 0.28279 48.2938 0.282788 2.65251 0.413016 48.2938 0.41292 -14.2315 GPRESSAVG: 2257000 21.1677 -0.910941 49.9179 1.31717 2.92818 -0.95424 45.4249 1.44274 -14.1229 TIMING: 2257000 CPU: 7206.47, 0.00314339/step Wall: 7206.47, 0.00314339/step, 2.39509 hours remaining, 233.101562 MB of memory in use. ENERGY: 2257000 3930.4635 20607.4297 14510.7280 250.9497 -203322.5999 2374.2765 0.0000 0.0000 51947.9992 -109700.7534 298.5459 -161648.7525 -109348.6719 298.0027 176.0353 202.5391 760948.1636 3.4458 3.3243 PRESSURE: 2257200 -134.239 147.371 190.88 147.371 104.365 20.8112 190.879 20.8114 8.07948 GPRESSURE: 2257200 -52.6891 176.504 131.905 104.314 95.1608 -16.2956 89.5996 30.5125 21.8626 PRESSAVG: 2257200 26.7149 41.115 -2.83582 41.1151 -5.0695 -1.84747 -2.83582 -1.84761 -2.48669 GPRESSAVG: 2257200 27.8997 41.4026 -2.39076 38.6454 -5.8172 -3.11757 -4.34269 -0.649529 -2.9115 TIMING: 2257200 CPU: 7207.1, 0.00315063/step Wall: 7207.1, 0.00315063/step, 2.40043 hours remaining, 233.101562 MB of memory in use. ENERGY: 2257200 4004.4756 20383.2568 14491.0456 247.1923 -203275.3444 2452.2574 0.0000 0.0000 51968.9892 -109728.1276 298.6665 -161697.1168 -109370.8919 298.6913 -7.2648 21.4448 760011.4990 6.3862 6.3903 PRESSURE: 2257400 195.549 77.5136 158.467 77.5128 194.597 -124.333 158.467 -124.334 171.583 GPRESSURE: 2257400 319.468 3.76207 209.225 27.6801 115.882 -71.5762 166.78 -83.4641 197.266 PRESSAVG: 2257400 -4.88072 -36.1892 -22.8607 -36.1892 -7.4962 -36.9423 -22.8606 -36.9423 -2.88998 GPRESSAVG: 2257400 -5.49594 -38.7859 -21.7004 -33.9524 -7.72483 -36.2935 -22.742 -36.8781 -2.26386 TIMING: 2257400 CPU: 7207.73, 0.00314602/step Wall: 7207.73, 0.00314602/step, 2.39674 hours remaining, 233.101562 MB of memory in use. ENERGY: 2257400 3942.3608 20351.3022 14536.8201 266.7452 -203474.9680 2705.2874 0.0000 0.0000 52153.0465 -109519.4057 299.7243 -161672.4522 -109156.2702 299.0687 187.2430 210.8722 760422.4259 -5.0890 -5.1615 PRESSURE: 2257600 148.922 -77.567 -115.468 -77.5658 328.001 68.7523 -115.468 68.7525 274.155 GPRESSURE: 2257600 273.07 -37.1185 -227.871 -128.813 295.202 101.199 -13.1154 45.8307 251.421 PRESSAVG: 2257600 34.9707 -28.8966 27.2572 -28.8965 -3.16363 5.59036 27.2572 5.5904 18.9453 GPRESSAVG: 2257600 35.0774 -25.8349 24.5315 -30.7513 -2.0568 5.14071 30.2396 7.0153 17.6496 TIMING: 2257600 CPU: 7208.36, 0.00314672/step Wall: 7208.36, 0.00314672/step, 2.3971 hours remaining, 233.101562 MB of memory in use. ENERGY: 2257600 3920.6577 20412.4314 14444.1350 268.7824 -203653.5122 2703.0030 0.0000 0.0000 52339.3430 -109565.1597 300.7949 -161904.5028 -109201.1682 299.4591 250.3593 273.2310 760159.2195 16.9175 16.8900 PRESSURE: 2257800 -236.848 44.0527 38.8073 44.0519 -534.352 -147.501 38.8073 -147.501 -25.1623 GPRESSURE: 2257800 -203.6 90.9189 24.0951 -74.2601 -572.151 -79.6124 -20.8203 -94.6638 55.8946 PRESSAVG: 2257800 19.7166 20.6177 29.4781 20.6177 -39.9168 -3.71553 29.4781 -3.7156 -2.22903 GPRESSAVG: 2257800 20.4642 19.4424 31.5334 20.7546 -40.5674 -2.97139 29.7939 -7.41031 -1.59491 TIMING: 2257800 CPU: 7208.98, 0.00313048/step Wall: 7208.98, 0.00313048/step, 2.38456 hours remaining, 233.101562 MB of memory in use. ENERGY: 2257800 4033.3725 20432.3608 14496.0421 235.7187 -203797.8554 2713.1420 0.0000 0.0000 52344.9028 -109542.3167 300.8269 -161887.2195 -109169.0081 299.4482 -265.4541 -239.9521 761394.9564 -7.4764 -7.2327 PRESSURE: 2258000 -176.065 -91.8729 -161.221 -91.8731 -403.43 -94.4969 -161.22 -94.4964 -215.139 GPRESSURE: 2258000 -203.8 -100.67 -39.7416 -177.457 -270.488 -81.315 -124.52 12.619 -239.138 PRESSAVG: 2258000 5.34403 -3.9846 14.6512 -3.98464 -16.7166 -2.58102 14.6512 -2.5811 5.82294 GPRESSAVG: 2258000 5.10729 -3.31345 16.04 -3.51572 -17.3138 -2.42875 13.7414 -0.488078 6.08569 TIMING: 2258000 CPU: 7209.61, 0.00313619/step Wall: 7209.61, 0.00313619/step, 2.38873 hours remaining, 233.101562 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: 2258000 3997.1056 20400.0367 14544.5501 258.0009 -203282.7273 2246.9097 0.0000 0.0000 52434.9999 -109401.1245 301.3447 -161836.1244 -109035.6952 299.8211 -264.8780 -237.8089 760388.2197 -1.8499 -2.0403 PRESSURE: 2258200 148.691 1.91622 -216.749 1.91597 -188.818 -78.1504 -216.749 -78.1504 -56.0262 GPRESSURE: 2258200 125.333 -6.90209 -226.437 87.9945 -122.434 -45.2673 -42.4154 26.8146 -12.3646 PRESSAVG: 2258200 65.7701 -6.31301 11.7331 -6.31299 -33.6843 -45.932 11.7331 -45.932 -12.5393 GPRESSAVG: 2258200 65.0866 -8.44732 10.4095 -5.6883 -32.4382 -46.1474 10.9618 -45.2133 -12.9387 TIMING: 2258200 CPU: 7210.24, 0.0031328/step Wall: 7210.24, 0.0031328/step, 2.38597 hours remaining, 233.101562 MB of memory in use. ENERGY: 2258200 3987.5305 20648.8068 14485.0337 252.1238 -203075.3058 2232.5874 0.0000 0.0000 52227.9974 -109241.2262 300.1550 -161469.2236 -108886.2020 300.1985 -32.0511 -3.1551 761683.7053 6.5155 6.5699 PRESSURE: 2258400 -90.6469 81.6883 -259.14 81.6882 -238.168 0.266671 -259.14 0.267987 48.5323 GPRESSURE: 2258400 8.6624 135.377 -152.454 -34.4565 -282.897 -33.933 -333.688 75.4247 69.8187 PRESSAVG: 2258400 13.85 42.1662 -10.4534 42.1662 -11.5184 18.3782 -10.4534 18.378 -7.35451 GPRESSAVG: 2258400 15.7157 42.9994 -12.4443 41.9683 -13.3999 16.2166 -8.07155 17.2704 -7.3721 TIMING: 2258400 CPU: 7210.86, 0.00313426/step Wall: 7210.86, 0.00313426/step, 2.38691 hours remaining, 233.101562 MB of memory in use. ENERGY: 2258400 3998.4077 20574.5999 14513.8970 251.2090 -203027.7492 2541.7761 0.0000 0.0000 52112.8420 -109035.0175 299.4932 -161147.8595 -108680.4698 300.3192 -93.4274 -68.1385 760639.0975 -1.6743 -1.6855 PRESSURE: 2258600 -108.761 76.4535 95.9988 76.4531 -250.868 149.933 95.9993 149.933 53.3833 GPRESSURE: 2258600 -80.0259 -36.8264 168.618 20.1447 -213.69 193.716 -45.7375 88.8382 53.2564 PRESSAVG: 2258600 20.6083 -10.7719 31.2689 -10.7719 -17.7898 -7.34709 31.269 -7.34713 25.3421 GPRESSAVG: 2258600 19.0505 -11.1978 32.5009 -10.0987 -16.7866 -6.2862 29.0034 -6.77371 25.6042 TIMING: 2258600 CPU: 7211.49, 0.00313781/step Wall: 7211.49, 0.00313781/step, 2.38944 hours remaining, 233.101562 MB of memory in use. ENERGY: 2258600 3895.6081 20660.2422 14488.4779 228.7379 -203153.2743 2549.9333 0.0000 0.0000 52287.4664 -109042.8084 300.4968 -161330.2748 -108682.8163 300.8226 -102.0821 -80.1533 759825.2407 9.3869 9.2894 PRESSURE: 2258800 654.766 -124.283 111.117 -124.282 -49.8317 -130.948 111.118 -130.948 -187.382 GPRESSURE: 2258800 710.267 -129.248 113.859 -122.251 -52.1677 -126.182 61.77 -132.625 -143.009 PRESSAVG: 2258800 29.671 -53.1806 20.1292 -53.1807 -46.3251 19.3363 20.1293 19.3364 -16.9666 GPRESSAVG: 2258800 30.2231 -51.8171 20.1468 -54.6637 -46.8 19.9981 20.8842 17.7049 -17.3163 TIMING: 2258800 CPU: 7212.12, 0.00312863/step Wall: 7212.12, 0.00312863/step, 2.38228 hours remaining, 233.101562 MB of memory in use. ENERGY: 2258800 3964.7526 20632.7653 14480.6567 241.5428 -203093.6491 2354.0873 0.0000 0.0000 52223.3964 -109196.4479 300.1286 -161419.8443 -108843.1155 300.1784 139.1839 171.6970 760746.5898 -11.2069 -11.2977 PRESSURE: 2259000 -260.342 132.495 -41.4541 132.496 -291.13 -1.23867 -41.4544 -1.2388 60.4589 GPRESSURE: 2259000 -167.593 77.4079 -69.9127 79.9905 -282.154 -74.0393 -182.829 3.87798 59.47 PRESSAVG: 2259000 31.3718 -46.2365 36.0091 -46.2364 -22.0079 -10.9534 36.0091 -10.9534 -1.06241 GPRESSAVG: 2259000 31.538 -47.081 37.5338 -43.8719 -21.7463 -12.5905 32.1165 -9.50209 -1.36726 TIMING: 2259000 CPU: 7212.74, 0.00312711/step Wall: 7212.74, 0.00312711/step, 2.38095 hours remaining, 233.101562 MB of memory in use. ENERGY: 2259000 4052.6052 20607.9656 14422.6292 251.6113 -203005.3227 2464.2285 0.0000 0.0000 51930.8207 -109275.4621 298.4471 -161206.2829 -108919.5857 299.6471 -163.6709 -130.0925 758664.1520 2.7672 2.8082 PRESSURE: 2259200 119.282 -145.132 -148.125 -145.132 60.1186 290.738 -148.125 290.738 455.441 GPRESSURE: 2259200 209.78 -80.046 -172.715 -153.43 45.2891 338.629 -101.108 372.26 458.659 PRESSAVG: 2259200 4.09064 -25.2227 16.0009 -25.2226 -24.0797 -33.7923 16.0009 -33.7923 -6.5387 GPRESSAVG: 2259200 4.1485 -25.99 15.6581 -26.1242 -24.2815 -32.9985 18.1669 -33.5617 -6.70707 TIMING: 2259200 CPU: 7213.37, 0.00315026/step Wall: 7213.37, 0.00315026/step, 2.3984 hours remaining, 233.101562 MB of memory in use. ENERGY: 2259200 3867.8532 20459.2495 14448.6330 252.8729 -202985.6763 2534.3610 0.0000 0.0000 52090.7043 -109332.0023 299.3660 -161422.7066 -108958.9346 299.8176 211.6138 237.9095 758732.9517 -8.8426 -8.9467 PRESSURE: 2259400 -142.713 174.489 214.721 174.489 187.762 196.727 214.722 196.727 541.14 GPRESSURE: 2259400 -69.4673 128.776 339.584 192.696 177.552 102.128 19.8472 108.129 549.56 PRESSAVG: 2259400 -18.7786 -60.0624 7.29237 -60.0625 0.437304 -14.3769 7.29241 -14.3769 -12.9272 GPRESSAVG: 2259400 -19.2859 -59.0393 7.62097 -59.2602 -0.426946 -13.3377 7.54094 -14.0373 -12.0758 TIMING: 2259400 CPU: 7214, 0.00313207/step Wall: 7214, 0.00313207/step, 2.38438 hours remaining, 233.101562 MB of memory in use. ENERGY: 2259400 4021.6219 20519.3409 14429.3312 274.2017 -203519.6487 2770.1873 0.0000 0.0000 52327.9177 -109177.0480 300.7293 -161504.9658 -108813.5936 299.5229 195.3962 219.2148 760517.5281 -10.4228 -10.5962 PRESSURE: 2259600 109.569 88.0058 10.7482 88.005 -23.3363 -217.159 10.7478 -217.158 -187.679 GPRESSURE: 2259600 100.397 1.79592 -89.8098 88.4068 49.8145 -283.14 10.5712 -113.234 -194.124 PRESSAVG: 2259600 -49.1635 -42.871 9.58343 -42.8709 36.3915 49.7623 9.5834 49.7622 -14.142 GPRESSAVG: 2259600 -49.4215 -42.3694 7.98869 -42.817 36.8552 50.1453 11.5481 48.7808 -14.2215 TIMING: 2259600 CPU: 7214.62, 0.00313199/step Wall: 7214.62, 0.00313199/step, 2.38414 hours remaining, 233.101562 MB of memory in use. ENERGY: 2259600 3975.7623 20444.1722 14504.0644 233.7694 -203185.4988 2672.8933 0.0000 0.0000 52017.8489 -109336.9883 298.9473 -161354.8372 -108976.3227 299.8685 -33.8154 -14.6373 761395.3443 -8.9713 -8.9293 PRESSURE: 2259800 -171.397 -122.54 120.555 -122.541 -32.0473 216.666 120.555 216.666 269.08 GPRESSURE: 2259800 -66.1638 -64.4491 33.7257 -63.4527 26.8153 167.034 66.0518 25.2257 171.214 PRESSAVG: 2259800 -25.7148 -42.8894 20.6333 -42.8893 52.7066 -12.5817 20.6334 -12.5817 16.2882 GPRESSAVG: 2259800 -24.4839 -42.827 20.6324 -43.3293 52.2891 -12.9928 20.5944 -11.9418 15.6426 TIMING: 2259800 CPU: 7215.25, 0.00312894/step Wall: 7215.25, 0.00312894/step, 2.38164 hours remaining, 233.101562 MB of memory in use. ENERGY: 2259800 3925.7408 20381.1831 14550.9486 263.3786 -203071.4746 2300.1653 0.0000 0.0000 52297.3920 -109352.6662 300.5538 -161650.0582 -108983.7709 299.3377 21.8785 43.9552 759743.7678 14.4267 14.4826 PRESSURE: 2260000 -334.273 -21.2735 274.199 -21.275 209.726 -82.896 274.199 -82.8951 243.582 GPRESSURE: 2260000 -313.503 30.56 254.878 -85.3729 270.883 8.59357 258.091 -39.0964 236.153 PRESSAVG: 2260000 -20.8216 -74.3153 3.21795 -74.3153 48.8814 -10.2212 3.21794 -10.2212 -7.60839 GPRESSAVG: 2260000 -21.6625 -75.0976 5.14499 -72.2778 49.9579 -10.5429 2.41248 -11.0215 -7.89774 TIMING: 2260000 CPU: 7215.88, 0.00313326/step Wall: 7215.88, 0.00313326/step, 2.38476 hours remaining, 233.101562 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: 2260000 4064.1763 20524.2535 14564.5835 241.2931 -203621.2164 2584.9307 0.0000 0.0000 52021.1373 -109620.8420 298.9662 -161641.9793 -109258.0813 299.4949 39.6783 64.5111 759031.5076 6.8171 6.7992 PRESSURE: 2260200 -320.482 96.6216 -40.8465 96.6221 -80.9047 167.34 -40.8468 167.34 37.3641 GPRESSURE: 2260200 -302.605 -7.60576 -7.33504 140.43 0.999999 232.055 -45.0389 141.448 24.3548 PRESSAVG: 2260200 -60.8277 10.5435 33.8793 10.5435 56.7187 -11.0438 33.8792 -11.0438 -5.95574 GPRESSAVG: 2260200 -61.3932 11.3391 34.29 8.14465 56.7494 -11.4049 32.8763 -10.4823 -4.82465 TIMING: 2260200 CPU: 7216.5, 0.00314309/step Wall: 7216.5, 0.00314309/step, 2.39206 hours remaining, 233.101562 MB of memory in use. ENERGY: 2260200 4006.6940 20435.9072 14530.6669 242.3086 -203577.2277 2578.3760 0.0000 0.0000 51950.7572 -109832.5179 298.5617 -161783.2750 -109475.7762 299.2648 -121.3407 -92.4169 759439.1040 -3.3549 -3.1561 LDB: ============= START OF LOAD BALANCING ============== 7228.92 LDB: ============== END OF LOAD BALANCING =============== 7228.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7228.93 LDB: ============= START OF LOAD BALANCING ============== 7229.24 LDB: Largest compute 7032 load 0.033174 is 17.0% of average load 0.195427 LDB: Average compute 0.004391 is 2.2% of average load 0.195427 LDB: TIME 7229.24 LOAD: AVG 0.195427 MAX 0.217008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.613 MB LDB: TIME 7229.24 LOAD: AVG 0.195427 MAX 0.217008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: TIME 7229.24 LOAD: AVG 0.195427 MAX 0.217008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: ============== END OF LOAD BALANCING =============== 7229.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7229.25 PRESSURE: 2260400 -186.946 5.12491 -228.705 5.12484 -159.303 -142.149 -228.704 -142.149 78.494 GPRESSURE: 2260400 -157.732 -95.6597 -298.203 39.7739 -78.8252 -69.744 -291.24 -241.471 33.9304 PRESSAVG: 2260400 -18.2365 -63.4726 10.6106 -63.4726 -8.29866 27.5389 10.6106 27.5388 -4.66853 GPRESSAVG: 2260400 -17.3068 -64.5992 8.82358 -61.4249 -7.2732 29.3576 13.0436 26.9067 -6.89208 TIMING: 2260400 CPU: 7217.15, 0.00320513/step Wall: 7217.15, 0.00320513/step, 2.43911 hours remaining, 233.039062 MB of memory in use. ENERGY: 2260400 3914.8497 20391.8862 14591.9281 263.7303 -203375.8840 2390.6750 0.0000 0.0000 51976.7308 -109846.0838 298.7110 -161822.8146 -109482.2520 298.8426 -89.2517 -67.5424 759757.7972 -10.4012 -10.4907 PRESSURE: 2260600 -35.7308 130.883 324.96 130.882 126.54 -362.847 324.959 -362.848 -71.1441 GPRESSURE: 2260600 51.7403 138.782 310.687 9.94547 138.022 -332.956 189.191 -303.136 -61.726 PRESSAVG: 2260600 -50.3911 18.316 -5.64969 18.316 13.8599 14.352 -5.64971 14.3519 2.74522 GPRESSAVG: 2260600 -50.8361 20.1332 -3.64954 16.473 11.4957 14.4599 -6.49331 14.3393 5.30947 TIMING: 2260600 CPU: 7217.77, 0.00312898/step Wall: 7217.77, 0.00312898/step, 2.38098 hours remaining, 233.093750 MB of memory in use. ENERGY: 2260600 3966.9259 20498.4438 14488.3942 236.1879 -203670.9147 2722.3548 0.0000 0.0000 52021.5786 -109737.0295 298.9687 -161758.6081 -109382.9674 298.8987 6.5550 42.6789 759067.4618 -11.2620 -11.3436 PRESSURE: 2260800 -416.406 132.532 78.183 132.533 80.3594 -47.7236 78.1816 -47.7223 413.004 GPRESSURE: 2260800 -360.472 96.771 18.9089 58.3086 112.326 -79.674 5.52297 53.7731 407.392 PRESSAVG: 2260800 -71.0622 -25.9183 -34.8753 -25.9183 78.1409 95.864 -34.8753 95.8638 10.3169 GPRESSAVG: 2260800 -71.6587 -26.1871 -36.3761 -24.3827 80.4095 94.0248 -36.997 95.6335 8.07571 TIMING: 2260800 CPU: 7218.4, 0.00314696/step Wall: 7218.4, 0.00314696/step, 2.39448 hours remaining, 233.093750 MB of memory in use. ENERGY: 2260800 3912.7027 20425.9730 14604.3959 263.8196 -203308.4560 2435.8145 0.0000 0.0000 52123.2373 -109542.5129 299.5530 -161665.7503 -109179.5381 298.9626 25.6524 53.0821 759710.5994 5.7985 5.6089 PRESSURE: 2261000 26.4183 -87.8133 -132.788 -87.8135 -85.1661 -166.733 -132.788 -166.732 -88.4803 GPRESSURE: 2261000 106.483 -65.1321 -128.3 -85.3928 -38.5855 -160.023 -58.7923 -174.791 -128.734 PRESSAVG: 2261000 -43.6958 16.5588 -9.97527 16.5588 53.3295 27.0554 -9.97526 27.0553 -14.2801 GPRESSAVG: 2261000 -44.035 14.7083 -8.63936 16.1208 52.3161 25.9659 -8.84827 29.0429 -12.7854 TIMING: 2261000 CPU: 7219.03, 0.00315795/step Wall: 7219.03, 0.00315795/step, 2.40267 hours remaining, 233.093750 MB of memory in use. ENERGY: 2261000 4055.6707 20349.0430 14616.8855 251.9514 -203081.6046 2269.0507 0.0000 0.0000 51854.0033 -109685.0001 298.0057 -161539.0034 -109323.7907 299.3315 -49.0761 -20.2787 759364.8319 -1.5488 -1.5014 PRESSURE: 2261200 343.509 11.3047 70.1536 11.3054 15.9562 -16.4866 70.1524 -16.4871 322.471 GPRESSURE: 2261200 335.97 -57.9109 169.456 -57.3449 153.582 -27.3396 -6.28456 53.4446 286.668 PRESSAVG: 2261200 -46.9803 -34.8392 19.8159 -34.8392 94.7222 -64.8445 19.8159 -64.8445 13.7113 GPRESSAVG: 2261200 -46.7307 -35.7255 19.0918 -33.3311 95.5376 -64.4033 20.9396 -63.9875 12.9832 TIMING: 2261200 CPU: 7219.66, 0.00314789/step Wall: 7219.66, 0.00314789/step, 2.39484 hours remaining, 233.093750 MB of memory in use. ENERGY: 2261200 3938.3469 20426.0271 14530.0611 238.5182 -203514.4040 2794.0088 0.0000 0.0000 52081.2472 -109506.1946 299.3116 -161587.4419 -109148.7078 299.2728 227.3120 258.7401 758556.5927 20.4844 20.5967 PRESSURE: 2261400 -303.781 239.876 52.6345 239.875 -13.2686 212.941 52.6341 212.942 105.899 GPRESSURE: 2261400 -225.306 253.471 185.872 284.234 28.036 254.141 135.444 144.472 84.2729 PRESSAVG: 2261400 -2.63751 -42.7359 -7.46374 -42.7359 21.0759 -26.8001 -7.46374 -26.8001 9.57689 GPRESSAVG: 2261400 -2.91928 -39.4772 -7.77276 -45.2637 20.2653 -25.992 -9.66248 -29.8289 9.89174 TIMING: 2261400 CPU: 7220.29, 0.00313393/step Wall: 7220.29, 0.00313393/step, 2.38405 hours remaining, 233.093750 MB of memory in use. ENERGY: 2261400 3997.7493 20472.0349 14516.2138 242.5127 -203389.8237 2511.0003 0.0000 0.0000 52274.9134 -109375.3994 300.4246 -161650.3128 -109007.0101 299.3843 -70.3835 -37.6657 759604.4656 9.3384 9.0792 PRESSURE: 2261600 72.1161 121.55 -74.7462 121.551 -121.221 18.9923 -74.745 18.9929 3.92604 GPRESSURE: 2261600 155.226 205.119 -71.3459 225.179 -122.925 -113.962 -180.958 65.6201 14.9986 PRESSAVG: 2261600 -16.5173 -36.8359 -5.87896 -36.8359 71.6856 -5.51361 -5.87892 -5.51367 -14.2024 GPRESSAVG: 2261600 -15.8272 -36.8575 -7.23216 -36.4309 71.0323 -4.69879 -4.88644 -4.41548 -13.7745 TIMING: 2261600 CPU: 7220.92, 0.00314909/step Wall: 7220.92, 0.00314909/step, 2.39541 hours remaining, 233.093750 MB of memory in use. ENERGY: 2261600 3964.8108 20376.0394 14637.9766 263.6689 -202737.5475 2366.5172 0.0000 0.0000 52061.5731 -109066.9615 299.1986 -161128.5346 -108702.8949 300.2077 -15.0595 15.7668 759409.9060 13.6553 13.8102 PRESSURE: 2261800 -122.566 -29.487 -66.0027 -29.4866 -290.363 -33.5828 -66.0031 -33.5841 255.902 GPRESSURE: 2261800 -70.6809 -6.12102 -5.9813 -48.917 -182.807 -144.497 23.9144 -131.823 169.75 PRESSAVG: 2261800 -2.31326 -8.35417 2.40449 -8.35421 -2.44177 -6.2752 2.40447 -6.27513 22.0305 GPRESSAVG: 2261800 -2.90084 -8.93899 3.06174 -8.05204 -1.78334 -7.59978 3.33902 -5.27529 22.4533 TIMING: 2261800 CPU: 7221.55, 0.00314838/step Wall: 7221.55, 0.00314838/step, 2.39469 hours remaining, 233.093750 MB of memory in use. ENERGY: 2261800 4054.8054 20501.5327 14568.2717 263.8698 -203155.1602 2547.3151 0.0000 0.0000 52431.4874 -108787.8782 301.3245 -161219.3656 -108420.8382 300.0764 -52.3421 -27.9128 761671.6881 5.7585 5.9231 PRESSURE: 2262000 362.864 -163.422 166.115 -163.422 -106.469 165.187 166.114 165.187 447.655 GPRESSURE: 2262000 383.919 -176.64 242.433 -100.342 -49.5071 144.641 100.928 128.077 446.012 PRESSAVG: 2262000 6.10065 -24.5169 -37.0342 -24.5169 -21.915 -20.248 -37.0342 -20.248 0.992663 GPRESSAVG: 2262000 6.45409 -26.0818 -36.7488 -24.1434 -22.3088 -19.3615 -37.3991 -22.0558 1.16327 TIMING: 2262000 CPU: 7222.18, 0.00316136/step Wall: 7222.18, 0.00316136/step, 2.40439 hours remaining, 233.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2262000 4084.3892 20561.5137 14588.0409 237.7727 -203101.5385 2695.8212 0.0000 0.0000 52201.7495 -108732.2513 300.0042 -160934.0009 -108381.1167 300.6227 234.6833 260.1412 759852.8435 -4.9406 -4.8971 PRESSURE: 2262200 -209.042 -119.502 -184.614 -119.502 -141.447 -65.599 -184.614 -65.5997 -279.676 GPRESSURE: 2262200 -124.882 -14.8895 -129.265 -77.895 -130.722 -81.1053 -196.51 -8.75226 -292.597 PRESSAVG: 2262200 29.6672 -41.4327 -57.5 -41.4326 10.3228 -41.9863 -57.5 -41.9864 -2.23416 GPRESSAVG: 2262200 29.6988 -42.9649 -58.3226 -38.9576 10.3204 -42.1931 -58.2683 -41.0295 -2.26839 TIMING: 2262200 CPU: 7222.82, 0.0031726/step Wall: 7222.82, 0.0031726/step, 2.41276 hours remaining, 233.199219 MB of memory in use. ENERGY: 2262200 4056.2339 20526.1812 14510.3580 256.2520 -202708.7702 2139.6700 0.0000 0.0000 52297.0246 -108923.0505 300.5517 -161220.0751 -108567.7561 300.8688 -210.0553 -182.7335 761336.1116 12.5853 12.5836 PRESSURE: 2262400 -170.879 37.4982 -82.7719 37.4977 -322.487 -74.1417 -82.771 -74.1413 -16.9401 GPRESSURE: 2262400 -138.412 -99.561 -121.869 54.85 -248.623 -173.131 -26.5126 -150.021 -41.6577 PRESSAVG: 2262400 7.096 -22.7009 -15.6186 -22.7009 -73.4047 -51.8947 -15.6186 -51.8947 9.15138 GPRESSAVG: 2262400 8.31593 -19.3014 -15.3598 -26.6076 -73.0321 -51.5864 -14.121 -52.3906 7.86371 TIMING: 2262400 CPU: 7223.44, 0.00313555/step Wall: 7223.44, 0.00313555/step, 2.38441 hours remaining, 233.199219 MB of memory in use. ENERGY: 2262400 4042.3123 20535.2955 14479.9127 230.5471 -202924.0957 2335.6680 0.0000 0.0000 52161.9331 -109138.4270 299.7753 -161300.3601 -108790.8206 300.1369 -170.1018 -142.8978 760778.1251 -19.0524 -18.9508 PRESSURE: 2262600 -434.483 -179.187 169.89 -179.187 -426.632 174.157 169.891 174.157 2.41022 GPRESSURE: 2262600 -340.723 -129.652 268.024 -137.554 -366.052 195.506 90.0563 301.639 -55.872 PRESSAVG: 2262600 14.3485 -12.5931 25.5153 -12.5931 39.7818 -9.438 25.5153 -9.43795 -3.71361 GPRESSAVG: 2262600 13.1679 -14.1024 23.7697 -10.1171 38.6741 -9.85349 25.2318 -9.41929 -1.27995 TIMING: 2262600 CPU: 7224.07, 0.00311367/step Wall: 7224.07, 0.00311367/step, 2.3676 hours remaining, 233.199219 MB of memory in use. ENERGY: 2262600 3922.0859 20430.5120 14504.7936 224.5422 -202532.8677 1952.1664 0.0000 0.0000 52157.5885 -109341.1791 299.7504 -161498.7676 -108973.5955 300.3966 -286.2349 -254.2157 760964.7090 16.8056 16.8540 PRESSURE: 2262800 299.559 95.16 -21.6218 95.1593 264.542 46.2459 -21.6228 46.246 -270.702 GPRESSURE: 2262800 221.898 -18.9476 -73.2663 -38.4634 356.699 37.2001 95.347 74.3728 -191.544 PRESSAVG: 2262800 12.384 -37.7743 18.2087 -37.7743 -7.30947 23.4541 18.2087 23.454 -6.31872 GPRESSAVG: 2262800 13.2648 -37.2307 19.1466 -40.3802 -7.51006 23.1685 18.3987 24.0718 -7.22669 TIMING: 2262800 CPU: 7224.69, 0.0031224/step Wall: 7224.69, 0.0031224/step, 2.37407 hours remaining, 233.199219 MB of memory in use. ENERGY: 2262800 3982.2721 20478.9908 14473.6130 238.6060 -203159.0530 2385.5915 0.0000 0.0000 52311.9069 -109288.0727 300.6372 -161599.9796 -108930.8007 299.8069 97.7998 129.0175 760962.9378 -0.4147 -0.4906 PRESSURE: 2263000 -189.705 -141.908 -102.538 -141.909 421.255 113.494 -102.539 113.495 437.288 GPRESSURE: 2263000 -73.0242 -28.9966 -43.0235 -120.07 410.647 80.9137 -98.5979 247.684 419.241 PRESSAVG: 2263000 70.7143 -23.8813 16.7898 -23.8813 -28.8516 57.8169 16.7899 57.817 3.17186 GPRESSAVG: 2263000 69.1711 -21.9041 16.6226 -21.9986 -27.6155 57.9038 18.0549 56.6632 3.05962 TIMING: 2263000 CPU: 7225.32, 0.00313594/step Wall: 7225.32, 0.00313594/step, 2.38418 hours remaining, 233.199219 MB of memory in use. ENERGY: 2263000 3960.5762 20599.5086 14488.5938 233.9516 -203442.7335 2557.0787 0.0000 0.0000 52328.7081 -109274.3165 300.7338 -161603.0246 -108908.2578 299.6606 222.9461 252.2879 759900.4050 15.0115 14.8717 PRESSURE: 2263200 297.434 71.4857 34.894 71.4856 405.444 -30.1887 34.894 -30.1884 -473.667 GPRESSURE: 2263200 314.283 115.083 115.296 73.1215 429.784 -46.7226 -18.8386 142.354 -422.847 PRESSAVG: 2263200 32.6276 -33.1153 -21.3989 -33.1152 -14.8169 51.9408 -21.3989 51.9408 7.6259 GPRESSAVG: 2263200 32.5177 -34.5138 -18.3484 -30.4882 -15.0128 52.3468 -24.3775 51.1609 7.76636 TIMING: 2263200 CPU: 7225.95, 0.00315571/step Wall: 7225.95, 0.00315571/step, 2.39904 hours remaining, 233.199219 MB of memory in use. ENERGY: 2263200 4068.9237 20573.8469 14458.2820 237.1183 -203398.3135 2640.1174 0.0000 0.0000 51975.3304 -109444.6949 298.7029 -161420.0253 -109092.0074 299.3664 76.4033 107.0736 760277.6794 8.4789 8.4237 PRESSURE: 2263400 -207.76 46.9209 -51.6634 46.9206 -82.475 199.458 -51.6633 199.459 146.967 GPRESSURE: 2263400 -73.1852 -8.13509 -101.682 -45.7204 -145.737 200.742 91.835 209.405 139.971 PRESSAVG: 2263400 47.1225 -7.10043 -7.44296 -7.1005 -26.7357 84.2849 -7.44301 84.285 0.984293 GPRESSAVG: 2263400 47.249 -5.82036 -8.90732 -12.1339 -27.4289 82.8507 -6.72166 86.8258 1.3878 TIMING: 2263400 CPU: 7226.58, 0.00314829/step Wall: 7226.58, 0.00314829/step, 2.39323 hours remaining, 233.199219 MB of memory in use. ENERGY: 2263400 3975.4415 20508.7984 14400.2286 234.2610 -203073.1898 2315.1467 0.0000 0.0000 52021.3047 -109618.0089 298.9672 -161639.3136 -109256.8592 299.2872 -47.7560 -26.3169 760043.4318 7.1237 7.0693 PRESSURE: 2263600 86.6825 197.676 86.6046 197.675 -105.23 144.299 86.6048 144.299 -79.0517 GPRESSURE: 2263600 74.3022 87.5712 161.253 142.938 -179.021 138.323 41.9302 18.7746 90.8556 PRESSAVG: 2263600 -17.7963 -5.54141 42.6538 -5.54147 -9.01993 27.542 42.6538 27.5421 13.9971 GPRESSAVG: 2263600 -17.4519 -6.65637 43.6325 -1.45086 -8.40297 28.0255 41.278 25.3845 13.5203 TIMING: 2263600 CPU: 7227.21, 0.00316289/step Wall: 7227.21, 0.00316289/step, 2.40415 hours remaining, 233.199219 MB of memory in use. ENERGY: 2263600 4024.8561 20591.3847 14449.5191 257.4639 -203660.2651 2701.8494 0.0000 0.0000 51856.7810 -109778.4110 298.0216 -161635.1920 -109423.7414 298.8900 -32.5329 -4.6211 759080.4957 -4.2731 -4.1115 PRESSURE: 2263800 44.699 -143.258 -54.2335 -143.258 278.11 37.8608 -54.2332 37.8601 -315.771 GPRESSURE: 2263800 77.1008 -48.3144 4.10863 -198.422 317.421 68.0183 -92.0469 -25.3452 -317.636 PRESSAVG: 2263800 -8.9998 -35.769 60.0489 -35.769 -2.58299 -6.99429 60.0489 -6.99426 7.72653 GPRESSAVG: 2263800 -8.58501 -34.8362 59.828 -37.7435 -2.01525 -5.26429 61.7608 -6.98596 7.14305 TIMING: 2263800 CPU: 7227.84, 0.00314755/step Wall: 7227.84, 0.00314755/step, 2.39231 hours remaining, 233.199219 MB of memory in use. ENERGY: 2263800 4064.3347 20583.7292 14518.1593 213.8552 -203347.8427 2499.9466 0.0000 0.0000 51657.8252 -109809.9924 296.8782 -161467.8176 -109444.8843 298.4530 2.3459 25.6286 760590.3427 -1.2854 -1.1524 PRESSURE: 2264000 -77.5131 197.254 -83.3558 197.255 -14.0989 47.1792 -83.3553 47.1778 75.5613 GPRESSURE: 2264000 -24.7759 19.9372 -93.455 234.021 -45.8092 67.3293 -140.165 59.0662 102.081 PRESSAVG: 2264000 23.2414 -34.1202 50.3455 -34.1202 -48.3662 30.0167 50.3456 30.0167 3.53134 GPRESSAVG: 2264000 22.8344 -34.6277 48.2168 -33.1264 -48.0738 29.0231 49.0824 31.3756 3.9864 TIMING: 2264000 CPU: 7228.47, 0.00316162/step Wall: 7228.47, 0.00316162/step, 2.40283 hours remaining, 233.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2264000 3898.6617 20555.2381 14498.9711 258.5215 -203367.7462 2394.4111 0.0000 0.0000 51808.7798 -109953.1629 297.7458 -161761.9427 -109587.9030 298.4321 -5.3502 10.4986 758197.6089 -7.1978 -7.0844 PRESSURE: 2264200 -57.3946 43.6438 2.94972 43.6432 179.605 167.367 2.94944 167.367 -382.483 GPRESSURE: 2264200 16.0597 43.5812 56.5251 -23.5352 184.59 135.72 61.113 7.94885 -371.294 PRESSAVG: 2264200 -0.606838 -39.3325 4.99948 -39.3325 14.2589 0.459841 4.99958 0.459813 -8.19318 GPRESSAVG: 2264200 -1.53685 -40.5089 5.95611 -39.4817 14.0888 0.701062 6.19144 0.175738 -7.04895 TIMING: 2264200 CPU: 7229.1, 0.00314539/step Wall: 7229.1, 0.00314539/step, 2.39032 hours remaining, 233.199219 MB of memory in use. ENERGY: 2264200 3994.5127 20481.9252 14546.5301 247.7871 -203621.7696 2660.8085 0.0000 0.0000 52034.8411 -109655.3650 299.0449 -161690.2061 -109287.2484 298.6505 -86.7575 -56.8816 761101.1306 1.8196 1.8343 LDB: ============= START OF LOAD BALANCING ============== 7241.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7241.52 LDB: =============== DONE WITH MIGRATION ================ 7241.52 LDB: ============= START OF LOAD BALANCING ============== 7241.84 LDB: Largest compute 7024 load 0.032963 is 16.9% of average load 0.195416 LDB: Average compute 0.004399 is 2.3% of average load 0.195416 LDB: TIME 7241.84 LOAD: AVG 0.195416 MAX 0.216975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 7241.84 LOAD: AVG 0.195416 MAX 0.216975 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: TIME 7241.84 LOAD: AVG 0.195416 MAX 0.216975 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: ============== END OF LOAD BALANCING =============== 7241.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7241.85 PRESSURE: 2264400 163.723 -58.5964 -138.257 -58.597 152.934 141.11 -138.257 141.109 -454.84 GPRESSURE: 2264400 189.56 -22.4738 -166.327 -91.2006 218.424 91.4019 -31.4018 62.0027 -448.221 PRESSAVG: 2264400 63.756 -46.5723 15.5307 -46.5722 -69.2816 6.57943 15.5307 6.57942 22.8749 GPRESSAVG: 2264400 64.7797 -45.1369 14.9576 -47.9982 -68.6531 9.05412 15.154 4.54281 21.214 TIMING: 2264400 CPU: 7229.74, 0.0032174/step Wall: 7229.74, 0.0032174/step, 2.44486 hours remaining, 234.332031 MB of memory in use. ENERGY: 2264400 4047.1503 20471.3602 14533.1466 254.5268 -203409.1228 2498.5422 0.0000 0.0000 51922.3399 -109682.0568 298.3984 -161604.3966 -109329.9142 298.7519 -46.0608 -13.4124 760077.7986 5.7831 5.7802 PRESSURE: 2264600 193.211 -235.767 -142.324 -235.767 346.042 -219.813 -142.324 -219.814 -91.5109 GPRESSURE: 2264600 265.884 -310.066 -125.834 -254.814 323.278 -265.68 -109.834 -221.053 -80.8086 PRESSAVG: 2264600 7.36084 -44.6964 0.573298 -44.6965 21.3613 -29.439 0.57332 -29.439 3.58356 GPRESSAVG: 2264600 5.97395 -46.3669 1.98405 -42.4187 22.1728 -31.044 -0.264061 -28.5686 4.61298 TIMING: 2264600 CPU: 7230.38, 0.00316935/step Wall: 7230.38, 0.00316935/step, 2.40818 hours remaining, 234.402344 MB of memory in use. ENERGY: 2264600 3945.6843 20357.2130 14526.3267 238.7002 -203514.0027 2690.2746 0.0000 0.0000 51994.0813 -109761.7226 298.8107 -161755.8038 -109404.3873 298.6529 149.2474 169.4510 759966.6990 10.7686 10.9199 PRESSURE: 2264800 -23.2893 -12.8672 -88.0985 -12.8674 -365.745 154.031 -88.0975 154.031 9.2835 GPRESSURE: 2264800 -2.78687 -8.48927 -104.768 -2.96642 -350.999 137.29 -54.696 177.967 58.3191 PRESSAVG: 2264800 44.5645 -84.1188 -3.70211 -84.1188 -22.6031 10.3122 -3.70218 10.3121 -16.6068 GPRESSAVG: 2264800 45.9903 -83.6278 -4.88657 -86.2369 -23.4316 8.22421 -4.84091 10.9597 -17.4478 TIMING: 2264800 CPU: 7231.01, 0.00316703/step Wall: 7231.01, 0.00316703/step, 2.40624 hours remaining, 234.402344 MB of memory in use. ENERGY: 2264800 3974.0758 20419.2332 14445.5587 236.6387 -203307.9816 2444.6762 0.0000 0.0000 51755.9032 -110031.8958 297.4419 -161787.7990 -109666.2397 298.2908 -126.5836 -98.4890 761094.1720 1.7849 1.7037 PRESSURE: 2265000 83.6545 -140.453 142.679 -140.453 -108.857 -75.8054 142.679 -75.8048 -294.071 GPRESSURE: 2265000 167.045 -102.049 98.67 -190.35 -99.3608 32.9577 123.567 -141.71 -302.221 PRESSAVG: 2265000 57.9305 -17.1398 -59.4138 -17.1398 -36.6493 35.1482 -59.4138 35.1481 -24.2491 GPRESSAVG: 2265000 57.7202 -17.4299 -57.9279 -14.2855 -37.5414 37.7695 -56.3756 33.431 -23.0135 TIMING: 2265000 CPU: 7231.64, 0.00315439/step Wall: 7231.64, 0.00315439/step, 2.39646 hours remaining, 234.402344 MB of memory in use. ENERGY: 2265000 4045.5629 20457.8570 14480.9245 242.0038 -203261.0833 2405.9192 0.0000 0.0000 51708.1584 -109920.6575 297.1675 -161628.8159 -109555.4645 298.1736 -106.4244 -78.1791 760199.8251 -0.9893 -0.9449 PRESSURE: 2265200 124.215 156.261 91.7071 156.262 -529.038 -79.5848 91.7075 -79.5856 273.86 GPRESSURE: 2265200 141.174 100.214 82.433 160.672 -402.524 -164.653 27.1847 -199.752 241.404 PRESSAVG: 2265200 71.6814 -15.4625 -31.2134 -15.4625 -66.7392 -19.2021 -31.2133 -19.2021 -3.26041 GPRESSAVG: 2265200 72.3913 -14.9299 -30.6479 -17.5714 -65.307 -18.769 -34.1704 -18.1071 -4.83934 TIMING: 2265200 CPU: 7232.27, 0.00315417/step Wall: 7232.27, 0.00315417/step, 2.39611 hours remaining, 234.402344 MB of memory in use. ENERGY: 2265200 3965.2558 20379.1644 14499.5113 249.6613 -203458.3967 2487.2249 0.0000 0.0000 51825.8967 -110051.6822 297.8441 -161877.5788 -109693.0397 297.8821 -43.6541 -6.6487 759585.9864 0.5606 0.7483 PRESSURE: 2265400 134.443 -173.28 -61.2703 -173.28 91.9111 -224.083 -61.2708 -224.083 -54.6779 GPRESSURE: 2265400 151.376 -168.192 -65.7336 -59.4013 125.058 -280.72 -112.126 -197.956 -28.4397 PRESSAVG: 2265400 104.911 -33.9234 -26.128 -33.9234 -107.421 -22.1471 -26.128 -22.147 -0.620606 GPRESSAVG: 2265400 103.575 -35.1111 -27.6002 -33.1073 -106.319 -24.5319 -24.9515 -20.9359 -0.183287 TIMING: 2265400 CPU: 7232.91, 0.00316184/step Wall: 7232.91, 0.00316184/step, 2.40177 hours remaining, 234.402344 MB of memory in use. ENERGY: 2265400 3967.5285 20457.2436 14449.0872 255.1806 -203382.8312 2602.2137 0.0000 0.0000 51872.3006 -109779.2768 298.1108 -161651.5775 -109416.6497 298.5182 57.2255 82.6648 759807.4532 -1.0436 -0.9761 PRESSURE: 2265600 202.82 -143.568 44.0904 -143.569 -23.4179 -344.534 44.0908 -344.534 -148.833 GPRESSURE: 2265600 311.461 -39.758 103.215 -232.735 -75.6501 -255.525 -94.3994 -283.834 -103.41 PRESSAVG: 2265600 74.7869 -37.526 9.14045 -37.526 -66.3146 35.7414 9.14045 35.7415 -4.15468 GPRESSAVG: 2265600 75.6623 -37.6617 9.34817 -40.6859 -66.8896 36.8999 7.12019 34.636 -4.58159 TIMING: 2265600 CPU: 7233.54, 0.00318365/step Wall: 7233.54, 0.00318365/step, 2.41816 hours remaining, 234.402344 MB of memory in use. ENERGY: 2265600 3917.2709 20420.8078 14504.8022 252.6948 -203029.2486 2477.7236 0.0000 0.0000 51771.5682 -109684.3811 297.5319 -161455.9493 -109327.2841 298.5533 10.1897 44.1337 761238.5599 1.4392 1.3970 PRESSURE: 2265800 72.976 10.1712 74.5595 10.1713 -331.508 175.459 74.5597 175.459 311.545 GPRESSURE: 2265800 32.7339 25.3545 82.615 34.966 -216.422 139.372 71.4089 12.8195 332.448 PRESSAVG: 2265800 12.0599 -11.412 60.374 -11.412 -30.6008 3.2764 60.374 3.27638 -44.6336 GPRESSAVG: 2265800 11.1388 -11.956 59.7875 -8.58407 -30.8873 3.41494 62.4832 2.94556 -43.5528 TIMING: 2265800 CPU: 7234.17, 0.00314624/step Wall: 7234.17, 0.00314624/step, 2.38957 hours remaining, 234.402344 MB of memory in use. ENERGY: 2265800 3931.9906 20331.8826 14482.7374 277.8334 -203189.7321 2498.2959 0.0000 0.0000 51978.7329 -109688.2594 298.7225 -161666.9922 -109323.7106 298.6370 17.6710 49.5864 760734.1923 -21.0582 -21.1005 PRESSURE: 2266000 5.5695 13.0577 -17.8546 13.0574 -88.35 226.008 -17.8546 226.009 436.949 GPRESSURE: 2266000 -42.647 53.5469 88.4501 45.3728 -30.9729 252.677 2.92928 172.728 493.794 PRESSAVG: 2266000 80.1114 -47.0638 41.9773 -47.0639 -80.9835 21.527 41.9773 21.5271 26.3754 GPRESSAVG: 2266000 80.9312 -45.2083 40.6007 -48.0526 -80.9431 22.6221 41.0904 20.7817 25.7173 TIMING: 2266000 CPU: 7234.8, 0.00315708/step Wall: 7234.8, 0.00315708/step, 2.39763 hours remaining, 234.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2266000 3939.4135 20483.2964 14491.4058 263.0059 -203331.3188 2529.6261 0.0000 0.0000 51757.0836 -109867.4874 297.4487 -161624.5710 -109493.4052 298.7039 118.0561 140.0581 760799.2871 8.5011 8.5685 PRESSURE: 2266200 243.964 -228.554 -373.562 -228.553 -99.2816 -52.5107 -373.561 -52.5108 301.323 GPRESSURE: 2266200 293.297 -199.021 -361.164 -249.157 -57.1623 -47.9219 -300.505 17.8782 301.083 PRESSAVG: 2266200 4.40402 -3.42202 12.601 -3.42201 -32.9812 36.6176 12.6009 36.6176 -13.867 GPRESSAVG: 2266200 3.64717 -3.87218 14.2741 -4.4904 -33.6846 36.1523 15.5659 36.4207 -12.2637 TIMING: 2266200 CPU: 7235.44, 0.00316501/step Wall: 7235.44, 0.00316501/step, 2.40348 hours remaining, 234.402344 MB of memory in use. ENERGY: 2266200 3962.7703 20490.2018 14482.1512 234.1466 -204006.3955 2909.7692 0.0000 0.0000 51933.6869 -109993.6696 298.4636 -161927.3565 -109636.7772 298.4330 148.6685 179.0727 760622.8448 -14.1481 -14.1004 PRESSURE: 2266400 191.345 84.0836 155.491 84.0828 -343.192 161.244 155.491 161.245 174.354 GPRESSURE: 2266400 214.119 101.369 228.875 -32.3816 -313.04 231.894 125.155 106.499 224.998 PRESSAVG: 2266400 52.1587 -53.327 27.3421 -53.3271 -47.1523 75.9186 27.3421 75.9185 14.698 GPRESSAVG: 2266400 53.7772 -53.138 25.9042 -51.4389 -47.8296 75.7402 26.7058 78.4135 13.5261 TIMING: 2266400 CPU: 7236.07, 0.00316657/step Wall: 7236.07, 0.00316657/step, 2.40448 hours remaining, 234.402344 MB of memory in use. ENERGY: 2266400 3929.4604 20414.3931 14502.4770 237.8434 -203487.3376 2605.3181 0.0000 0.0000 51972.8388 -109825.0069 298.6886 -161797.8456 -109459.3124 298.7846 7.5024 42.0255 760630.6360 6.5681 6.4912 PRESSURE: 2266600 237.354 -1.30395 151.435 -1.30424 -292.558 -39.8139 151.435 -39.8146 -130.511 GPRESSURE: 2266600 240.5 -93.1266 92.4143 13.647 -269.519 -17.9408 81.8841 -63.676 -43.295 PRESSAVG: 2266600 140.451 -70.5566 62.8611 -70.5565 -142.688 26.3664 62.861 26.3665 20.3474 GPRESSAVG: 2266600 138.405 -71.9304 65.5386 -71.6985 -140.653 27.1225 61.2756 24.9796 20.0468 TIMING: 2266600 CPU: 7236.7, 0.00317294/step Wall: 7236.7, 0.00317294/step, 2.40914 hours remaining, 234.402344 MB of memory in use. ENERGY: 2266600 3994.8366 20544.6199 14522.8963 246.9309 -203588.6962 2642.2663 0.0000 0.0000 51895.9496 -109741.1965 298.2467 -161637.1462 -109391.5392 299.0276 -61.9050 -24.1046 758859.2665 6.0367 5.9329 PRESSURE: 2266800 162.615 -90.345 -47.8618 -90.3447 107.889 70.8603 -47.8618 70.8597 95.5551 GPRESSURE: 2266800 251.305 -55.4842 -69.2979 -39.8272 89.4141 61.3674 -11.2629 116.259 118.666 PRESSAVG: 2266800 -26.2953 -80.3803 36.7105 -80.3802 -3.57237 -34.6987 36.7104 -34.6988 13.8019 GPRESSAVG: 2266800 -25.0947 -79.4931 36.0754 -81.2986 -4.44773 -35.2927 36.9753 -36.2283 13.4164 TIMING: 2266800 CPU: 7237.34, 0.00316713/step Wall: 7237.34, 0.00316713/step, 2.40456 hours remaining, 234.402344 MB of memory in use. ENERGY: 2266800 4014.4321 20568.8087 14474.3600 230.5402 -203679.4370 2657.0621 0.0000 0.0000 51951.2750 -109782.9589 298.5647 -161734.2339 -109424.5880 298.7902 122.0198 153.1285 759521.7846 -5.3553 -5.3754 PRESSURE: 2267000 107.959 -14.9267 393.239 -14.9264 -227.588 -114.877 393.239 -114.877 -121.689 GPRESSURE: 2267000 83.8832 -106.301 310.535 -48.3924 -80.3595 -203.165 277.701 -47.8964 -124.894 PRESSAVG: 2267000 25.3865 -113.1 24.2513 -113.1 3.63352 -9.41032 24.2514 -9.41035 5.85763 GPRESSAVG: 2267000 24.9239 -114.809 24.672 -113.373 3.79124 -7.75806 23.4851 -7.3314 7.23812 TIMING: 2267000 CPU: 7237.97, 0.00316228/step Wall: 7237.97, 0.00316228/step, 2.4007 hours remaining, 234.402344 MB of memory in use. ENERGY: 2267000 4010.4086 20503.3358 14508.6912 242.6734 -203561.9054 2651.9945 0.0000 0.0000 51884.4597 -109760.3421 298.1807 -161644.8019 -109395.6345 298.3688 -80.4392 -40.4569 761008.7670 11.6259 11.9844 PRESSURE: 2267200 -515.545 -30.8429 -155.685 -30.8433 -336.163 -185.496 -155.685 -185.496 -214.89 GPRESSURE: 2267200 -470.359 -37.5185 -43.8084 -42.1193 -315.833 -116.541 -114.204 -242.167 -200.298 PRESSAVG: 2267200 38.3594 -48.0487 58.0012 -48.0487 -37.0818 -6.43363 58.0012 -6.43375 -26.7014 GPRESSAVG: 2267200 38.9678 -48.0691 56.5925 -46.4596 -37.2246 -6.32462 57.4229 -7.43099 -27.3307 TIMING: 2267200 CPU: 7238.6, 0.00315638/step Wall: 7238.6, 0.00315638/step, 2.39604 hours remaining, 234.402344 MB of memory in use. ENERGY: 2267200 3922.1281 20437.9922 14533.5365 238.2267 -203498.5892 2446.9838 0.0000 0.0000 52210.0501 -109709.6717 300.0519 -161919.7218 -109347.1618 298.6011 -355.5324 -328.8302 761503.8493 -8.4746 -8.5292 PRESSURE: 2267400 -249.975 145.882 -85.4501 145.882 138.387 -4.85678 -85.4511 -4.85615 -255.214 GPRESSURE: 2267400 -142.377 37.2578 -92.1994 116.128 172.855 -56.511 -94.5967 75.8169 -296.613 PRESSAVG: 2267400 27.0129 -46.533 19.4719 -46.533 -43.5728 -38.0731 19.4718 -38.073 6.12399 GPRESSAVG: 2267400 28.2477 -44.5859 19.8586 -48.1558 -44.4286 -40.6347 20.4054 -37.6619 5.95973 TIMING: 2267400 CPU: 7239.23, 0.00312105/step Wall: 7239.23, 0.00312105/step, 2.36905 hours remaining, 234.402344 MB of memory in use. ENERGY: 2267400 4041.4031 20485.9214 14508.2683 233.3357 -203586.4377 2603.9754 0.0000 0.0000 52049.5510 -109663.9827 299.1295 -161713.5337 -109299.2880 298.5751 -122.2673 -88.7116 759882.9342 -3.4787 -3.4070 PRESSURE: 2267600 29.8599 -175.654 138.453 -175.655 258.709 -22.0859 138.454 -22.0858 -37.115 GPRESSURE: 2267600 30.5306 -160.733 211.696 -173.978 367.536 -61.8955 145.713 3.03229 -64.9108 PRESSAVG: 2267600 78.9086 -46.4733 32.2345 -46.4733 -48.4272 20.0944 32.2345 20.0944 20.9244 GPRESSAVG: 2267600 77.8826 -47.4217 33.2481 -43.1874 -47.3741 19.1335 35.6013 20.873 21.0162 TIMING: 2267600 CPU: 7239.86, 0.00314836/step Wall: 7239.86, 0.00314836/step, 2.38961 hours remaining, 234.402344 MB of memory in use. ENERGY: 2267600 4001.1646 20437.9033 14538.6776 248.3539 -203800.9771 2819.2085 0.0000 0.0000 51861.3241 -109894.3450 298.0477 -161755.6691 -109527.9744 298.8948 83.8179 111.0518 759128.1705 17.1353 17.1749 PRESSURE: 2267800 -375.171 43.1521 -276.283 43.1522 -86.29 -54.9613 -276.282 -54.962 -418.846 GPRESSURE: 2267800 -310.353 6.87945 -349.541 -65.132 -42.9789 44.6975 -192.434 -88.5795 -434.153 PRESSAVG: 2267800 -31.6858 -34.3199 7.92526 -34.3199 29.236 -38.9919 7.92526 -38.992 20.8916 GPRESSAVG: 2267800 -31.6051 -34.2099 8.03325 -38.1208 28.6103 -36.5542 4.61281 -42.1863 21.7106 TIMING: 2267800 CPU: 7240.49, 0.00315538/step Wall: 7240.49, 0.00315538/step, 2.39476 hours remaining, 234.402344 MB of memory in use. ENERGY: 2267800 3977.3120 20577.4415 14438.0367 232.0029 -203383.5874 2532.9429 0.0000 0.0000 52014.5937 -109611.2577 298.9286 -161625.8514 -109250.9518 298.4673 -293.4355 -262.4951 761430.1733 6.1473 6.2386 PRESSURE: 2268000 -36.5599 -2.6829 50.7971 -2.68271 -125.432 113.138 50.7981 113.137 -94.9646 GPRESSURE: 2268000 -27.2113 -17.2186 80.3462 85.7704 -111.656 132.559 29.256 119.734 -53.0976 PRESSAVG: 2268000 16.6797 -1.40533 -16.912 -1.40537 -17.6948 -14.4707 -16.912 -14.4708 -21.4052 GPRESSAVG: 2268000 17.1652 -2.07115 -17.0819 0.0221015 -17.8618 -14.3752 -18.2987 -11.7336 -21.4328 TIMING: 2268000 CPU: 7241.12, 0.00314624/step Wall: 7241.12, 0.00314624/step, 2.38765 hours remaining, 234.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2268000 4059.3661 20403.0680 14578.8919 232.5579 -203787.9794 2819.1714 0.0000 0.0000 52177.4144 -109517.5096 299.8643 -161694.9240 -109154.4534 299.3073 -85.6521 -63.9883 761373.0743 -7.4734 -7.3765 PRESSURE: 2268200 -121.331 -116.471 339.308 -116.471 -507.912 -198.206 339.308 -198.206 -140.548 GPRESSURE: 2268200 -141.184 -173.087 328.151 -115.847 -344.121 -181.681 305.131 -161.078 -191.598 PRESSAVG: 2268200 35.9448 -13.8755 -54.7066 -13.8755 -43.4031 -47.8343 -54.7067 -47.8342 6.53179 GPRESSAVG: 2268200 35.7184 -13.1908 -55.2624 -13.1029 -42.6366 -47.5979 -52.7942 -48.2225 6.19513 TIMING: 2268200 CPU: 7241.75, 0.00315175/step Wall: 7241.75, 0.00315175/step, 2.39165 hours remaining, 234.402344 MB of memory in use. ENERGY: 2268200 4016.8512 20534.2692 14638.2656 247.8810 -203484.6303 2444.1438 0.0000 0.0000 52150.7005 -109452.5191 299.7108 -161603.2196 -109086.9484 299.8921 -256.5969 -225.6343 760534.8968 -0.3089 -0.2410 LDB: ============= START OF LOAD BALANCING ============== 7254.16 LDB: ============== END OF LOAD BALANCING =============== 7254.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7254.17 LDB: ============= START OF LOAD BALANCING ============== 7254.48 LDB: Largest compute 7034 load 0.034459 is 17.6% of average load 0.195429 LDB: Average compute 0.004409 is 2.3% of average load 0.195429 LDB: TIME 7254.48 LOAD: AVG 0.195429 MAX 0.214455 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 7254.48 LOAD: AVG 0.195429 MAX 0.214455 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: TIME 7254.48 LOAD: AVG 0.195429 MAX 0.214455 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: ============== END OF LOAD BALANCING =============== 7254.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7254.49 PRESSURE: 2268400 89.7492 -243.135 101.857 -243.135 -194.96 124.47 101.856 124.471 -37.8624 GPRESSURE: 2268400 174.846 -298.678 90.8513 -135.608 -228.583 103.902 -44.0979 102.067 -23.8844 PRESSAVG: 2268400 49.5213 -38.5385 9.85053 -38.5386 -20.5485 -45.073 9.85051 -45.073 8.92898 GPRESSAVG: 2268400 49.6087 -39.2762 9.85121 -38.6969 -20.3441 -45.1774 8.14988 -44.501 8.80537 TIMING: 2268400 CPU: 7242.39, 0.00319621/step Wall: 7242.39, 0.00319621/step, 2.42521 hours remaining, 233.304688 MB of memory in use. ENERGY: 2268400 4007.7017 20520.7712 14534.9749 247.4507 -203777.4874 2843.2008 0.0000 0.0000 52222.0821 -109401.3061 300.1210 -161623.3881 -109040.2558 299.7414 -47.6909 -25.8739 760801.9450 12.6339 12.6900 PRESSURE: 2268600 -197.387 75.9193 -263.985 75.9192 -326.716 125.503 -263.984 125.504 -262.998 GPRESSURE: 2268600 -142.178 152.579 -261.445 -66.6806 -350.041 155.308 -299.875 192.312 -214.454 PRESSAVG: 2268600 24.404 -27.049 -46.4022 -27.049 -43.913 10.9948 -46.4022 10.9949 13.5868 GPRESSAVG: 2268600 25.9801 -26.9868 -45.5364 -26.2605 -45.1475 10.6915 -44.2255 10.1518 13.1989 TIMING: 2268600 CPU: 7243.02, 0.00317732/step Wall: 7243.02, 0.00317732/step, 2.4107 hours remaining, 233.503906 MB of memory in use. ENERGY: 2268600 4040.3905 20633.9458 14574.6860 240.1028 -203327.9831 2291.6035 0.0000 0.0000 52189.6434 -109357.6111 299.9346 -161547.2545 -108998.8543 299.9185 -262.3670 -235.5577 759469.6952 -1.9740 -1.9895 PRESSURE: 2268800 120.521 -199.602 -90.9676 -199.602 91.7542 -160.261 -90.9673 -160.26 579.419 GPRESSURE: 2268800 191.679 -160.858 -177.325 -164.349 74.6655 -250.693 34.378 -266.953 614.455 PRESSAVG: 2268800 59.3698 6.31606 -8.65517 6.3161 -52.1405 -28.5115 -8.65512 -28.5115 3.88039 GPRESSAVG: 2268800 59.4884 6.36953 -9.68564 5.39242 -53.0701 -28.5102 -8.59811 -27.255 4.67485 TIMING: 2268800 CPU: 7243.65, 0.00316123/step Wall: 7243.65, 0.00316123/step, 2.39832 hours remaining, 233.503906 MB of memory in use. ENERGY: 2268800 3903.8161 20584.0729 14489.7344 247.5948 -203633.2815 2723.8404 0.0000 0.0000 52233.1443 -109451.0787 300.1846 -161684.2230 -109092.6743 299.5555 263.8978 293.5997 759622.6439 3.7032 3.6977 PRESSURE: 2269000 -71.8985 -153.458 -18.1482 -153.459 -269.485 155.312 -18.149 155.312 -321.729 GPRESSURE: 2269000 -112.535 -104.317 -29.4863 -101.657 -164.553 67.6606 -32.3455 120.179 -279.22 PRESSAVG: 2269000 47.2036 -11.6322 29.6606 -11.6323 -23.5411 34.4396 29.6606 34.4396 -8.27631 GPRESSAVG: 2269000 45.716 -12.4922 29.57 -10.7676 -21.9332 33.3107 29.9204 30.4762 -8.22003 TIMING: 2269000 CPU: 7244.28, 0.0031414/step Wall: 7244.28, 0.0031414/step, 2.3831 hours remaining, 233.503906 MB of memory in use. ENERGY: 2269000 3967.7677 20498.6808 14564.3768 255.6329 -203250.9241 2458.5230 0.0000 0.0000 52002.4070 -109503.5359 298.8585 -161505.9429 -109136.5285 299.5136 -221.0372 -185.4362 759989.3514 5.1287 5.1876 PRESSURE: 2269200 -180.108 -200.594 -103.343 -200.593 -193.82 -42.6855 -103.343 -42.686 9.31319 GPRESSURE: 2269200 -54.7351 -138.973 -140.643 -235.083 -175.191 65.9391 -42.7535 -86.6981 -34.5372 PRESSAVG: 2269200 -10.5825 -81.6087 -6.36473 -81.6087 -11.8283 5.24537 -6.36475 5.24537 -7.33692 GPRESSAVG: 2269200 -9.93456 -79.7659 -6.27252 -83.6659 -11.2348 5.45793 -6.30832 7.06684 -8.84546 TIMING: 2269200 CPU: 7244.91, 0.00315884/step Wall: 7244.91, 0.00315884/step, 2.39615 hours remaining, 233.503906 MB of memory in use. ENERGY: 2269200 3975.4929 20355.1553 14477.0279 233.3129 -203122.9774 2412.4597 0.0000 0.0000 52279.1983 -109390.3304 300.4493 -161669.5287 -109032.9875 299.2734 -121.5382 -88.1545 761210.3172 -9.9159 -10.0049 PRESSURE: 2269400 23.2316 -150.738 -39.7242 -150.737 408.682 -18.2755 -39.7235 -18.2743 275.989 GPRESSURE: 2269400 120.336 -125.694 -59.1548 -44.9834 417.663 -7.79802 31.6861 -90.3415 245.737 PRESSAVG: 2269400 53.1748 -52.1377 25.9434 -52.1377 -91.0565 3.92689 25.9435 3.92695 15.1313 GPRESSAVG: 2269400 53.7448 -50.5328 25.9401 -50.9659 -92.4461 3.88654 25.4379 4.3497 16.1094 TIMING: 2269400 CPU: 7245.55, 0.00317288/step Wall: 7245.55, 0.00317288/step, 2.40663 hours remaining, 233.503906 MB of memory in use. ENERGY: 2269400 4001.6079 20483.1063 14547.0865 242.5599 -203644.9221 2856.9959 0.0000 0.0000 52024.0861 -109489.4795 298.9831 -161513.5656 -109130.3080 299.7307 235.9675 261.2453 759828.1796 -7.5835 -7.5306 PRESSURE: 2269600 442.08 -33.7511 -141.041 -33.7506 -302.797 79.1874 -141.042 79.187 200.455 GPRESSURE: 2269600 370.096 -127.998 -51.6815 -56.3849 -207.789 113.908 -18.7397 131.47 247.817 PRESSAVG: 2269600 17.8068 -29.1317 -35.8016 -29.1318 -49.1042 -8.03371 -35.8016 -8.03374 1.52224 GPRESSAVG: 2269600 16.3883 -31.4883 -35.9396 -27.7833 -47.7788 -6.46665 -35.4339 -8.02089 1.62922 TIMING: 2269600 CPU: 7246.19, 0.00318999/step Wall: 7246.19, 0.00318999/step, 2.41943 hours remaining, 233.503906 MB of memory in use. ENERGY: 2269600 3988.4230 20535.5111 14454.6271 262.6687 -203997.6971 3012.2698 0.0000 0.0000 52361.4390 -109382.7583 300.9219 -161744.1973 -109023.6801 299.3015 113.2462 136.7081 762576.8631 -9.9251 -9.9204 PRESSURE: 2269800 121.39 -41.4897 113.615 -41.4906 209.297 -73.7184 113.615 -73.7189 -63.8857 GPRESSURE: 2269800 131.417 -197.9 149.487 -152.935 262.455 -109.356 234.615 45.0388 -45.9107 PRESSAVG: 2269800 -29.4572 -76.7369 -24.4035 -76.7369 11.8609 35.8216 -24.4034 35.8217 8.94754 GPRESSAVG: 2269800 -30.2831 -77.0066 -24.1331 -78.3152 12.0494 35.1699 -22.2993 34.1549 10.0511 TIMING: 2269800 CPU: 7246.82, 0.00318893/step Wall: 7246.82, 0.00318893/step, 2.41845 hours remaining, 233.503906 MB of memory in use. ENERGY: 2269800 3924.2176 20424.5928 14524.4347 245.0735 -203226.1230 2642.6064 0.0000 0.0000 52062.9419 -109402.2561 299.2064 -161465.1980 -109025.1561 299.9567 88.9335 115.9871 760965.4301 -2.8829 -2.7275 PRESSURE: 2270000 -204.68 -181.763 -279.29 -181.763 65.9464 -76.677 -279.29 -76.6781 361.385 GPRESSURE: 2270000 -60.8704 -48.4993 -238.718 -232.492 -17.5078 -48.6497 -211.775 45.9743 379.94 PRESSAVG: 2270000 -5.36396 -68.0787 -7.92845 -68.0787 36.5933 -15.6529 -7.92846 -15.653 -10.9231 GPRESSAVG: 2270000 -2.47626 -66.7938 -8.2867 -68.4875 35.0583 -15.4767 -7.66387 -13.7692 -12.4468 TIMING: 2270000 CPU: 7247.45, 0.00314816/step Wall: 7247.45, 0.00314816/step, 2.38735 hours remaining, 233.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2270000 4005.1247 20499.6625 14581.8227 246.1988 -203250.2059 2567.4498 0.0000 0.0000 51992.7015 -109357.2461 298.8028 -161349.9476 -108997.5666 299.0411 74.2171 100.5207 761367.1600 6.7687 6.7118 PRESSURE: 2270200 140.613 151.206 104.741 151.205 -207.434 13.014 104.741 13.0134 246.402 GPRESSURE: 2270200 83.0685 80.2216 95.6372 185.317 -116.957 -52.1753 60.252 -124.947 306.744 PRESSAVG: 2270200 93.6609 -51.821 -28.3838 -51.821 -80.3853 -11.7643 -28.3839 -11.7642 -8.297 GPRESSAVG: 2270200 91.6223 -53.0717 -28.2465 -51.0003 -78.6229 -11.7106 -28.8592 -14.2985 -8.17956 TIMING: 2270200 CPU: 7248.08, 0.0031403/step Wall: 7248.08, 0.0031403/step, 2.38122 hours remaining, 233.503906 MB of memory in use. ENERGY: 2270200 3882.9038 20538.9401 14561.7561 249.9606 -203205.8231 2316.6120 0.0000 0.0000 52268.1392 -109387.5113 300.3857 -161655.6506 -109019.0725 299.7074 59.8605 90.9518 761316.2309 1.6595 1.6066 PRESSURE: 2270400 198.817 282.102 14.5863 282.103 -442.061 189.427 14.5862 189.427 -115.879 GPRESSURE: 2270400 202.322 310.889 133.326 351.074 -423.349 167.711 49.4257 244.946 -57.0376 PRESSAVG: 2270400 38.5246 8.66838 -32.0387 8.6683 -55.7234 16.6104 -32.0387 16.6104 -3.06009 GPRESSAVG: 2270400 37.6562 8.60457 -30.7825 10.0425 -56.3203 17.74 -31.465 15.7509 -2.35019 TIMING: 2270400 CPU: 7248.71, 0.00316056/step Wall: 7248.71, 0.00316056/step, 2.39641 hours remaining, 233.503906 MB of memory in use. ENERGY: 2270400 4042.5512 20508.0081 14533.8478 263.2501 -203030.9063 2592.3677 0.0000 0.0000 51999.5869 -109091.2945 298.8423 -161090.8814 -108729.7997 299.3932 -119.7076 -92.6882 762153.9074 -6.7530 -7.0047 PRESSURE: 2270600 -18.0922 127.747 175.311 127.747 208.957 200.249 175.31 200.249 106.818 GPRESSURE: 2270600 5.79736 77.9951 137.826 116.196 207.197 279.724 76.2129 182.024 179.833 PRESSAVG: 2270600 67.2933 -21.7759 25.7844 -21.7759 -4.96813 7.65775 25.7844 7.65774 -13.7666 GPRESSAVG: 2270600 67.9397 -20.4836 25.4682 -22.6322 -4.33401 6.34593 23.6897 9.49713 -14.8745 TIMING: 2270600 CPU: 7249.35, 0.00316963/step Wall: 7249.35, 0.00316963/step, 2.40311 hours remaining, 233.503906 MB of memory in use. ENERGY: 2270600 3925.0344 20530.5153 14566.4734 243.7603 -203135.0605 2592.6188 0.0000 0.0000 52229.7273 -109046.9309 300.1650 -161276.6583 -108684.1108 299.9964 99.2275 130.9426 763740.4654 16.1862 16.2437 PRESSURE: 2270800 301.796 -284.91 -268.277 -284.91 225.468 -53.348 -268.277 -53.3479 77.3531 GPRESSURE: 2270800 327.5 -269.016 -275.758 -247.161 234.129 -28.4308 -157.311 -108.732 118.618 PRESSAVG: 2270800 7.76977 -82.6552 -23.9527 -82.6552 -6.20807 5.31088 -23.9527 5.31093 8.63212 GPRESSAVG: 2270800 7.07219 -85.1401 -25.566 -80.2609 -6.00797 5.14978 -21.7088 6.13798 8.95959 TIMING: 2270800 CPU: 7249.98, 0.00317551/step Wall: 7249.98, 0.00317551/step, 2.40739 hours remaining, 233.503906 MB of memory in use. ENERGY: 2270800 3945.9624 20370.2989 14543.1012 252.4094 -203040.0064 2595.2798 0.0000 0.0000 52465.5045 -108867.4502 301.5200 -161332.9547 -108497.2887 300.4252 201.5391 226.7490 761633.9982 3.3979 3.3413 PRESSURE: 2271000 -168.131 -93.6867 -159.514 -93.6859 -56.6882 -24.1478 -159.515 -24.1488 214.84 GPRESSURE: 2271000 -142.918 -39.0005 -108.203 -20.7963 18.3415 -167.156 -25.3408 112.938 175.412 PRESSAVG: 2271000 17.1985 -49.6831 -45.4028 -49.6831 -35.5311 -11.0951 -45.4028 -11.0952 -16.9972 GPRESSAVG: 2271000 17.8609 -49.4103 -44.0105 -49.4091 -35.9623 -12.5227 -44.5452 -9.22294 -17.2828 TIMING: 2271000 CPU: 7250.62, 0.00317408/step Wall: 7250.62, 0.00317408/step, 2.40613 hours remaining, 233.503906 MB of memory in use. ENERGY: 2271000 3895.5839 20530.3139 14507.5017 240.2282 -202448.1597 2099.2655 0.0000 0.0000 52226.5862 -108948.6804 300.1469 -161175.2666 -108580.8658 300.3114 -3.3264 16.9452 762704.2406 -11.7766 -11.7947 PRESSURE: 2271200 139.643 -133.37 -4.51608 -133.37 -124.741 -13.8165 -4.51672 -13.8161 -386.234 GPRESSURE: 2271200 94.0956 -155.455 -4.37707 -129.677 -90.0151 -50.3575 -83.8012 47.5937 -283.295 PRESSAVG: 2271200 32.7098 -101.557 -23.5484 -101.557 -27.4955 13.5612 -23.5484 13.5611 26.0921 GPRESSAVG: 2271200 33.4178 -101.83 -24.1803 -102.129 -26.9589 14.8851 -25.7347 13.0542 25.2192 TIMING: 2271200 CPU: 7251.25, 0.00318737/step Wall: 7251.25, 0.00318737/step, 2.41603 hours remaining, 233.503906 MB of memory in use. ENERGY: 2271200 3960.1785 20458.6191 14502.5671 234.9233 -202811.4025 2459.2396 0.0000 0.0000 52308.9087 -108886.9662 300.6200 -161195.8750 -108520.0464 299.9758 -123.7769 -93.0716 761401.0333 10.4355 10.5594 PRESSURE: 2271400 104.524 -131.271 -154.052 -131.27 67.1853 226.493 -154.053 226.495 -29.5825 GPRESSURE: 2271400 144.794 -80.8247 -219.133 -123.907 100.491 230.61 2.9541 247.676 10.3171 PRESSAVG: 2271400 59.8824 -8.22836 -32.5415 -8.22837 -71.1631 -23.0566 -32.5415 -23.0565 -7.89712 GPRESSAVG: 2271400 58.6239 -5.98737 -31.4235 -12.2038 -71.119 -23.5515 -32.7056 -24.1016 -6.69844 TIMING: 2271400 CPU: 7251.89, 0.00319407/step Wall: 7251.89, 0.00319407/step, 2.42092 hours remaining, 233.503906 MB of memory in use. ENERGY: 2271400 3962.2163 20631.3309 14505.3764 242.3351 -202868.5666 2495.3402 0.0000 0.0000 52146.6978 -108885.2700 299.6878 -161031.9678 -108528.8813 300.1055 47.3755 85.2005 762370.2200 -6.3926 -6.3978 PRESSURE: 2271600 288.975 -114.484 -61.6422 -114.484 74.7364 115.984 -61.6423 115.984 152.762 GPRESSURE: 2271600 348.686 38.0529 -9.02545 -52.0421 122.203 118.894 -138.298 53.6231 134.101 PRESSAVG: 2271600 -24.9676 -42.9747 -10.725 -42.9748 -2.49944 -43.551 -10.7249 -43.551 -20.5884 GPRESSAVG: 2271600 -24.4424 -42.4206 -11.0062 -40.7587 -2.61304 -42.902 -11.0315 -43.7439 -20.6015 TIMING: 2271600 CPU: 7252.53, 0.00316071/step Wall: 7252.53, 0.00316071/step, 2.39546 hours remaining, 233.503906 MB of memory in use. ENERGY: 2271600 3980.1511 20434.1196 14567.5440 235.6850 -203244.3273 2669.0073 0.0000 0.0000 52455.8145 -108902.0060 301.4643 -161357.8204 -108540.7430 300.3791 172.1578 201.6633 760444.8681 -16.0185 -15.8856 PRESSURE: 2271800 -247.041 -212.51 136.834 -212.51 213.885 -18.5962 136.835 -18.5965 -184.374 GPRESSURE: 2271800 -188.249 -186.146 2.41417 -200.88 212.688 -17.9306 -4.06996 3.85501 -177.889 PRESSAVG: 2271800 46.7564 -56.7068 -11.7417 -56.7068 -72.0841 -23.1776 -11.7417 -23.1775 11.7309 GPRESSAVG: 2271800 46.7862 -56.5415 -10.9358 -56.0818 -72.2222 -22.7941 -11.713 -22.1642 11.1157 TIMING: 2271800 CPU: 7253.16, 0.00315995/step Wall: 7253.16, 0.00315995/step, 2.39471 hours remaining, 233.503906 MB of memory in use. ENERGY: 2271800 3955.7597 20570.8827 14603.9944 234.7951 -202438.6959 2166.5588 0.0000 0.0000 52110.0506 -108796.6545 299.4772 -160906.7051 -108431.1560 300.0240 -72.5099 -51.1500 762332.3126 -4.5323 -4.7735 PRESSURE: 2272000 75.1754 213.001 55.9339 213.002 -114.975 -186.945 55.9332 -186.945 -82.6815 GPRESSURE: 2272000 206.082 193.258 70.7211 154.951 -182.954 -204.324 -20.6388 -191.053 -78.3304 PRESSAVG: 2272000 52.6813 -51.9118 17.6874 -51.9118 -80.2574 -42.8512 17.6874 -42.8513 -4.22385 GPRESSAVG: 2272000 53.7805 -53.5549 15.9169 -52.5073 -80.2377 -42.5782 17.3491 -44.1502 -4.70306 TIMING: 2272000 CPU: 7253.79, 0.00317039/step Wall: 7253.79, 0.00317039/step, 2.40245 hours remaining, 233.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2272000 3977.0914 20679.5571 14558.7523 245.5163 -202758.0767 2233.6007 0.0000 0.0000 52303.7247 -108759.8341 300.5902 -161063.5589 -108395.5173 300.4653 -40.8270 -18.4010 761401.1638 -10.6000 -10.3867 PRESSURE: 2272200 -76.1764 -66.1093 7.29001 -66.1087 -162.765 109.945 7.28957 109.943 155.149 GPRESSURE: 2272200 -36.8657 -16.3537 -30.1185 -148.923 -153 83.5843 -0.167952 75.8212 190.264 PRESSAVG: 2272200 13.6083 -10.9135 34.6458 -10.9135 15.1432 41.4142 34.6458 41.4141 28.3319 GPRESSAVG: 2272200 12.3481 -10.09 33.2218 -10.3649 14.9658 41.2821 37.0443 40.7524 29.3267 TIMING: 2272200 CPU: 7254.43, 0.00320128/step Wall: 7254.43, 0.00320128/step, 2.42568 hours remaining, 233.503906 MB of memory in use. ENERGY: 2272200 4000.7797 20500.0713 14553.1489 246.2683 -202810.5411 2311.3341 0.0000 0.0000 52477.0355 -108721.9033 301.5862 -161198.9388 -108348.6077 300.7960 -27.9309 0.1327 760450.4038 19.0278 18.8802 LDB: ============= START OF LOAD BALANCING ============== 7266.86 LDB: ============== END OF LOAD BALANCING =============== 7266.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7266.86 LDB: ============= START OF LOAD BALANCING ============== 7267.18 LDB: Largest compute 7034 load 0.034336 is 17.6% of average load 0.195474 LDB: Average compute 0.004392 is 2.2% of average load 0.195474 LDB: TIME 7267.19 LOAD: AVG 0.195474 MAX 0.213639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.617 MB LDB: TIME 7267.19 LOAD: AVG 0.195474 MAX 0.213639 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.688 MB LDB: TIME 7267.19 LOAD: AVG 0.195474 MAX 0.213639 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.688 MB LDB: ============== END OF LOAD BALANCING =============== 7267.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7267.19 PRESSURE: 2272400 -99.6082 42.2993 -113.095 42.3 -349.094 226.565 -113.095 226.565 -182.072 GPRESSURE: 2272400 -91.9387 42.5934 -139.967 -27.5002 -302.915 215.925 -10.1069 190.715 -154.701 PRESSAVG: 2272400 17.1272 -90.0958 71.2832 -90.0958 -35.0952 19.1266 71.2833 19.1265 -12.7712 GPRESSAVG: 2272400 16.8769 -91.0321 72.3044 -90.8355 -34.8477 20.9762 70.5616 21.5494 -12.1185 TIMING: 2272400 CPU: 7255.09, 0.00328245/step Wall: 7255.09, 0.00328245/step, 2.487 hours remaining, 234.074219 MB of memory in use. ENERGY: 2272400 3991.5830 20610.5849 14558.1912 240.2922 -203053.0030 2430.7485 0.0000 0.0000 52216.0674 -109005.5357 300.0865 -161221.6031 -108638.2751 300.4067 -210.2583 -183.1848 762755.4228 -10.2464 -10.0298 PRESSURE: 2272600 -352.083 -117.922 240.229 -117.922 -155.671 147.908 240.229 147.908 13.7289 GPRESSURE: 2272600 -236.419 -147.83 254.508 -229.896 -220.148 135.41 351.026 40.2237 55.019 PRESSAVG: 2272600 68.3959 -10.5583 19.994 -10.5583 -91.7062 18.0159 19.9939 18.0158 -6.90216 GPRESSAVG: 2272600 69.0498 -9.5412 19.8416 -10.9611 -92.1723 15.6588 21.8188 16.8696 -7.25365 TIMING: 2272600 CPU: 7255.72, 0.00316661/step Wall: 7255.72, 0.00316661/step, 2.39906 hours remaining, 234.277344 MB of memory in use. ENERGY: 2272600 3995.6480 20463.5380 14487.4356 232.1217 -202862.8706 2349.9886 0.0000 0.0000 52447.9494 -108886.1894 301.4191 -161334.1388 -108509.4035 299.9300 -164.6750 -133.8495 763581.6113 -10.0708 -10.1254 PRESSURE: 2272800 -310.903 -158.04 -166.767 -158.04 214.876 -58.6788 -166.768 -58.6805 -491.694 GPRESSURE: 2272800 -183.245 -166.527 -127.444 -228.728 147.11 -102.012 -142.895 -77.2295 -452.068 PRESSAVG: 2272800 15.9665 -57.2435 3.59487 -57.2434 -56.5757 -34.2057 3.59487 -34.2057 27.5009 GPRESSAVG: 2272800 16.2673 -58.5023 5.12839 -55.6801 -55.8217 -33.901 1.9694 -32.6027 26.34 TIMING: 2272800 CPU: 7256.35, 0.00314956/step Wall: 7256.35, 0.00314956/step, 2.38596 hours remaining, 234.332031 MB of memory in use. ENERGY: 2272800 3932.5462 20490.2386 14559.0111 263.5993 -202965.8520 2399.9669 0.0000 0.0000 52207.9100 -109112.5799 300.0396 -161320.4900 -108744.6511 300.1040 -195.9071 -162.7344 761482.3724 -4.3694 -4.4048 PRESSURE: 2273000 -83.0056 -175.376 1.82531 -175.376 -257.534 4.63595 1.82452 4.63642 -58.8442 GPRESSURE: 2273000 -127.075 -228.429 73.9077 -115.575 -135.041 42.108 112.066 -51.6257 -35.3405 PRESSAVG: 2273000 16.0301 -87.8599 9.42447 -87.8598 1.88569 -13.109 9.42446 -13.1089 -3.48635 GPRESSAVG: 2273000 15.2905 -85.4344 9.869 -87.8909 1.89034 -13.1447 8.29336 -13.435 -2.88147 TIMING: 2273000 CPU: 7256.98, 0.00315133/step Wall: 7256.98, 0.00315133/step, 2.38713 hours remaining, 234.332031 MB of memory in use. ENERGY: 2273000 4026.7029 20557.1090 14575.4177 238.8589 -203549.3741 2730.4010 0.0000 0.0000 52163.3326 -109257.5519 299.7834 -161420.8845 -108900.9724 299.2901 -133.1280 -99.1522 761234.4295 4.8098 4.7665 PRESSURE: 2273200 -330.384 -64.8061 -16.9264 -64.8056 -282.456 198.509 -16.9259 198.508 53.2298 GPRESSURE: 2273200 -298.436 -56.4164 31.8524 -116.719 -234.158 126.51 -64.6614 213.961 62.7212 PRESSAVG: 2273200 -19.6599 -38.7257 28.2127 -38.7258 38.2925 13.3578 28.2127 13.3578 1.37812 GPRESSAVG: 2273200 -19.5792 -39.5387 27.4559 -40.4101 37.8591 13.3055 26.666 11.3 1.09844 TIMING: 2273200 CPU: 7257.61, 0.00315398/step Wall: 7257.61, 0.00315398/step, 2.38897 hours remaining, 234.332031 MB of memory in use. ENERGY: 2273200 3916.7652 20553.3997 14499.0838 250.0565 -202808.9430 2376.1314 0.0000 0.0000 52246.4730 -108967.0334 300.2612 -161213.5064 -108610.4097 299.8368 -186.5370 -156.6242 762157.9508 6.6703 6.4594 PRESSURE: 2273400 -175.657 333.375 322.757 333.377 -174.072 -220.309 322.757 -220.309 -8.06878 GPRESSURE: 2273400 -60.6794 279.744 310.152 236.918 -213.333 -148.475 303.967 -172.847 -10.429 PRESSAVG: 2273400 -9.30939 -22.4113 20.7664 -22.4113 15.3206 -30.4149 20.7664 -30.4149 -27.3041 GPRESSAVG: 2273400 -8.66267 -22.3446 22.1793 -19.8818 14.4214 -30.159 19.6394 -28.4439 -27.3537 TIMING: 2273400 CPU: 7258.24, 0.00314389/step Wall: 7258.24, 0.00314389/step, 2.38115 hours remaining, 234.402344 MB of memory in use. ENERGY: 2273400 3956.2550 20510.1578 14540.8663 238.7944 -203384.8555 2716.9185 0.0000 0.0000 52080.9674 -109340.8960 299.3100 -161421.8634 -108978.5752 299.8399 -119.2660 -94.8137 761381.3100 -7.0976 -7.1983 PRESSURE: 2273600 -133.964 21.8503 -241.025 21.8507 -123.655 -43.3829 -241.025 -43.3825 269.798 GPRESSURE: 2273600 -131.956 12.2901 -231.888 -30.1081 -83.975 -22.9849 -191.72 25.298 300.345 PRESSAVG: 2273600 14.5757 -17.8964 8.50956 -17.8963 -25.3089 -26.1459 8.50956 -26.1459 4.64362 GPRESSAVG: 2273600 13.4248 -19.7138 7.24224 -20.0827 -24.8866 -26.1931 11.2756 -24.4635 5.62573 TIMING: 2273600 CPU: 7258.88, 0.00317555/step Wall: 7258.88, 0.00317555/step, 2.40495 hours remaining, 234.472656 MB of memory in use. ENERGY: 2273600 3963.7128 20429.3332 14500.0104 223.0470 -203272.8852 2442.1202 0.0000 0.0000 52223.4953 -109491.1663 300.1291 -161714.6616 -109130.3048 299.0549 4.0598 28.1383 759869.6773 -2.0299 -1.9453 PRESSURE: 2273800 499.697 68.6913 97.6592 68.6911 -296.121 170.123 97.6593 170.123 206.639 GPRESSURE: 2273800 443.246 54.6336 107.598 90.7841 -152.645 146.715 150.31 121.556 211.418 PRESSAVG: 2273800 39.6889 -60.7238 7.39165 -60.7238 -37.6289 -8.77949 7.39159 -8.77952 15.7564 GPRESSAVG: 2273800 39.6426 -58.9619 7.80687 -61.347 -37.5662 -8.78506 7.56468 -9.33478 15.8212 TIMING: 2273800 CPU: 7259.51, 0.00316465/step Wall: 7259.51, 0.00316465/step, 2.39652 hours remaining, 234.472656 MB of memory in use. ENERGY: 2273800 3939.3219 20534.1942 14478.1825 244.2785 -203112.8377 2399.0233 0.0000 0.0000 52065.2671 -109452.5702 299.2198 -161517.8373 -109093.2618 299.3138 136.7381 167.3396 760878.3150 5.9388 5.9659 PRESSURE: 2274000 64.4852 -40.2527 -55.7606 -40.2519 116.917 -58.9135 -55.7614 -58.9141 -261.595 GPRESSURE: 2274000 49.2954 -5.49506 -112.305 -38.8821 205.709 -54.2199 -66.5293 -122.546 -241.429 PRESSAVG: 2274000 23.7867 -67.0702 55.75 -67.0702 -13.6024 -40.0388 55.7501 -40.0388 17.7379 GPRESSAVG: 2274000 23.0863 -67.5798 55.5282 -66.4917 -12.9718 -38.8234 56.1904 -43.0039 16.7455 TIMING: 2274000 CPU: 7260.14, 0.00315879/step Wall: 7260.14, 0.00315879/step, 2.39191 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2274000 3886.8703 20436.8865 14533.9305 241.7729 -203188.2973 2515.7367 0.0000 0.0000 52140.0278 -109433.0725 299.6495 -161573.1003 -109068.3537 298.8501 -26.7309 4.5251 761301.1023 9.3074 8.9533 PRESSURE: 2274200 -10.6897 -316.281 91.8786 -316.281 -383.706 -339.317 91.878 -339.317 -129.651 GPRESSURE: 2274200 50.1168 -385.967 21.6327 -384.805 -439.356 -316.397 55.9268 -308.05 -15.5528 PRESSAVG: 2274200 61.9834 -73.7778 10.5412 -73.7778 -44.9321 -19.0825 10.5412 -19.0824 -2.09698 GPRESSAVG: 2274200 63.671 -70.501 7.15236 -74.3526 -46.6748 -20.3634 11.1388 -18.6392 -1.94493 TIMING: 2274200 CPU: 7260.77, 0.00315712/step Wall: 7260.77, 0.00315712/step, 2.39046 hours remaining, 234.472656 MB of memory in use. ENERGY: 2274200 3888.3828 20303.3130 14550.6871 237.8804 -203123.7188 2700.7760 0.0000 0.0000 52268.5775 -109174.1019 300.3882 -161442.6794 -108807.1637 299.2017 -174.6823 -134.9305 764063.0172 4.9848 5.0171 PRESSURE: 2274400 -261.244 -186.807 -21.6498 -186.807 -313.396 -54.4821 -21.6502 -54.4817 -825.024 GPRESSURE: 2274400 -279.902 22.9016 -28.4443 -230.394 -282.946 -81.4571 117.577 -5.94688 -784.525 PRESSAVG: 2274400 7.7257 -43.5973 -7.85926 -43.5974 -25.9059 -49.6402 -7.85927 -49.6402 -20.1212 GPRESSAVG: 2274400 6.37028 -45.563 -6.35104 -43.8132 -25.463 -49.1636 -8.00062 -48.4245 -19.1068 TIMING: 2274400 CPU: 7261.4, 0.00316186/step Wall: 7261.4, 0.00316186/step, 2.39388 hours remaining, 234.472656 MB of memory in use. ENERGY: 2274400 4076.7331 20491.9933 14560.2683 242.2963 -202936.1742 2197.5434 0.0000 0.0000 52066.3693 -109300.9705 299.2261 -161367.3397 -108939.7174 299.5753 -466.5544 -449.1241 762027.7407 -12.7671 -12.7332 PRESSURE: 2274600 301.702 13.9912 -43.2911 13.9902 310.666 -89.4335 -43.2913 -89.4338 -242.058 GPRESSURE: 2274600 267.109 40.434 -28.7948 5.423 322.486 -44.0671 40.4337 -85.7775 -130.923 PRESSAVG: 2274600 33.3182 -53.2994 -11.4076 -53.2994 -43.2752 -20.7083 -11.4075 -20.7082 12.8082 GPRESSAVG: 2274600 33.6227 -53.7091 -9.84605 -53.2539 -42.5115 -21.2078 -12.3031 -21.0312 11.6136 TIMING: 2274600 CPU: 7262.03, 0.00314476/step Wall: 7262.03, 0.00314476/step, 2.38075 hours remaining, 234.472656 MB of memory in use. ENERGY: 2274600 3954.8378 20439.6086 14473.1109 267.3181 -203448.7229 2847.2281 0.0000 0.0000 52011.4542 -109455.1652 298.9105 -161466.6194 -109096.9447 299.0503 123.4368 152.8905 761560.1268 0.9504 0.9083 PRESSURE: 2274800 202.114 53.1392 77.7415 53.1388 -213.421 -38.4377 77.7404 -38.4379 -6.28611 GPRESSURE: 2274800 241.566 139.756 44.9504 80.8982 -158.849 -15.5224 134.86 -62.9242 -6.3614 PRESSAVG: 2274800 -4.30665 -56.4248 -7.46317 -56.4248 0.0214852 36.0358 -7.46315 36.0358 -4.56624 GPRESSAVG: 2274800 -3.84466 -57.5673 -9.23447 -54.4251 -0.148537 36.143 -6.03332 36.0675 -4.76408 TIMING: 2274800 CPU: 7262.66, 0.00313893/step Wall: 7262.66, 0.00313893/step, 2.37617 hours remaining, 234.472656 MB of memory in use. ENERGY: 2274800 4010.0275 20492.2366 14522.9429 237.3509 -203430.5124 2525.7885 0.0000 0.0000 52117.8555 -109524.3104 299.5220 -161642.1659 -109165.1234 298.3244 -5.8642 25.4519 762100.6134 -2.9505 -2.9191 PRESSURE: 2275000 212.143 185.233 240.538 185.233 49.9401 -114.176 240.538 -114.175 -134.178 GPRESSURE: 2275000 194.502 186.885 178.335 37.4356 92.9124 -113.208 93.9081 -5.63556 -76.8943 PRESSAVG: 2275000 3.67282 18.5076 -27.3153 18.5077 -32.7203 -13.6609 -27.3153 -13.6609 4.16342 GPRESSAVG: 2275000 1.82185 19.7216 -26.69 16.9258 -32.4542 -15.6836 -30.2005 -12.0396 5.43245 TIMING: 2275000 CPU: 7263.29, 0.00313876/step Wall: 7263.29, 0.00313876/step, 2.37587 hours remaining, 234.472656 MB of memory in use. ENERGY: 2275000 3961.7345 20292.2273 14569.8253 252.3730 -203446.8079 2712.3690 0.0000 0.0000 52120.3105 -109537.9683 299.5361 -161658.2787 -109177.2737 299.0322 42.6348 70.1734 763018.7177 -8.2947 -8.4000 PRESSURE: 2275200 -114.578 209.442 -31.286 209.442 111.586 -32.1588 -31.2863 -32.158 -144.397 GPRESSURE: 2275200 -66.8294 127.699 5.20758 200.629 120.753 0.599213 85.3526 -6.04611 -123.699 PRESSAVG: 2275200 49.1126 -32.3739 -18.1837 -32.3739 -34.9045 0.512952 -18.1837 0.512952 6.5628 GPRESSAVG: 2275200 51.7183 -35.1998 -16.5422 -32.6713 -36.5057 1.91564 -16.3755 -1.95777 5.58061 TIMING: 2275200 CPU: 7263.93, 0.0031784/step Wall: 7263.93, 0.0031784/step, 2.40569 hours remaining, 234.472656 MB of memory in use. ENERGY: 2275200 3964.7643 20499.4642 14435.0461 248.3136 -203218.5738 2775.2451 0.0000 0.0000 52062.3123 -109233.4282 299.2028 -161295.7405 -108877.0922 299.1013 -49.1297 -23.2584 762331.0867 6.9236 6.9311 PRESSURE: 2275400 147.101 -113.235 43.8081 -113.234 -200.648 -169.769 43.808 -169.77 -105.142 GPRESSURE: 2275400 190.428 -186.767 39.2757 -67.438 -106.92 -151.496 116.259 -87.9245 -143.986 PRESSAVG: 2275400 93.6023 -50.1902 -28.3957 -50.1902 -74.732 -62.8522 -28.3957 -62.8522 5.28134 GPRESSAVG: 2275400 93.7355 -47.4776 -28.7779 -49.3526 -74.9955 -65.2138 -26.2882 -61.8943 5.48522 TIMING: 2275400 CPU: 7264.55, 0.00314418/step Wall: 7264.55, 0.00314418/step, 2.37962 hours remaining, 234.472656 MB of memory in use. ENERGY: 2275400 3943.3061 20542.0792 14523.7330 254.1222 -202913.4963 2130.7683 0.0000 0.0000 52193.1913 -109326.2963 299.9550 -161519.4875 -108963.3179 299.3781 -52.8963 -20.1594 762147.1653 8.0505 8.0751 PRESSURE: 2275600 95.257 -83.3326 101.547 -83.3332 5.04427 49.5435 101.548 49.5431 265.043 GPRESSURE: 2275600 195.416 -61.7683 59.7947 -39.3793 -0.491387 77.1028 53.0879 36.9543 274.972 PRESSAVG: 2275600 100.728 -23.5827 4.44263 -23.5827 -94.7318 15.2986 4.44266 15.2986 33.1801 GPRESSAVG: 2275600 99.6194 -25.5732 4.57698 -23.1763 -93.0382 18.4148 -0.00309336 14.8093 32.5576 TIMING: 2275600 CPU: 7265.18, 0.00315053/step Wall: 7265.18, 0.00315053/step, 2.38425 hours remaining, 234.472656 MB of memory in use. ENERGY: 2275600 4015.4339 20455.4498 14478.1563 247.8605 -203204.8214 2727.5836 0.0000 0.0000 52240.2256 -109040.1117 300.2253 -161280.3373 -108675.3060 300.0660 121.7816 156.6322 763310.4888 13.0589 13.0462 PRESSURE: 2275800 -63.7958 270.582 4.66006 270.582 -265.726 121.24 4.65918 121.239 -253.062 GPRESSURE: 2275800 -33.9992 253.934 -54.792 198.493 -253.776 69.2249 88.7354 45.2849 -230.415 PRESSAVG: 2275800 83.5737 -5.96556 18.028 -5.96555 -54.3494 -3.69352 18.0279 -3.69362 -0.855524 GPRESSAVG: 2275800 82.8 -6.28307 17.4471 -4.70167 -54.8443 -4.15274 21.5276 -5.36636 0.264546 TIMING: 2275800 CPU: 7265.82, 0.0031607/step Wall: 7265.82, 0.0031607/step, 2.39178 hours remaining, 234.472656 MB of memory in use. ENERGY: 2275800 3960.9394 20532.8409 14539.1848 238.4488 -203278.5312 2842.5810 0.0000 0.0000 52135.6131 -109028.9233 299.6241 -161164.5364 -108665.7228 299.8229 -194.1948 -172.7300 764172.0597 9.4562 9.4067 PRESSURE: 2276000 -163.203 108.97 66.0215 108.969 -636.759 -82.3772 66.0226 -82.3774 -53.2444 GPRESSURE: 2276000 -180.12 113.147 68.9401 87.4552 -520.264 20.3194 106.337 23.1039 -60.4242 PRESSAVG: 2276000 68.2762 -16.3444 20.5878 -16.3444 -82.5928 -39.465 20.5878 -39.4651 -5.50676 GPRESSAVG: 2276000 67.8122 -14.2083 21.5515 -18.4964 -81.9206 -40.1101 20.287 -37.7411 -6.14785 TIMING: 2276000 CPU: 7266.45, 0.00318016/step Wall: 7266.45, 0.00318016/step, 2.40632 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2276000 4072.5517 20583.4054 14545.0101 257.1196 -203047.0481 2299.5600 0.0000 0.0000 52190.8533 -109098.5479 299.9416 -161289.4012 -108740.4455 300.0076 -284.4022 -253.6026 763523.8587 -6.6078 -6.7521 PRESSURE: 2276200 -495.256 -0.960201 -342.906 -0.960074 -620.52 -19.1556 -342.906 -19.1555 -95.9324 GPRESSURE: 2276200 -425.481 -28.2147 -394.16 80.9265 -495.559 -59.3668 -330.828 3.45248 -217.089 PRESSAVG: 2276200 45.7406 -45.1777 -9.62095 -45.1778 -63.2544 -23.294 -9.62097 -23.294 7.50304 GPRESSAVG: 2276200 46.3042 -47.024 -10.5938 -43.1962 -62.662 -23.1805 -9.02151 -22.3491 5.71806 TIMING: 2276200 CPU: 7267.09, 0.00316577/step Wall: 7267.09, 0.00316577/step, 2.39525 hours remaining, 234.472656 MB of memory in use. ENERGY: 2276200 4055.0814 20473.7188 14503.3258 254.0590 -202828.1085 2273.6003 0.0000 0.0000 52324.6909 -108943.6323 300.7107 -161268.3233 -108583.1667 299.8948 -403.9027 -379.3764 763137.4024 -3.3369 -3.5466 LDB: ============= START OF LOAD BALANCING ============== 7279.51 LDB: ============== END OF LOAD BALANCING =============== 7279.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7279.51 LDB: ============= START OF LOAD BALANCING ============== 7279.82 LDB: Largest compute 7074 load 0.034876 is 17.8% of average load 0.195448 LDB: Average compute 0.004394 is 2.2% of average load 0.195448 LDB: TIME 7279.83 LOAD: AVG 0.195448 MAX 0.214881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.461 MB LDB: TIME 7279.83 LOAD: AVG 0.195448 MAX 0.214881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: TIME 7279.83 LOAD: AVG 0.195448 MAX 0.214881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: ============== END OF LOAD BALANCING =============== 7279.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7279.83 PRESSURE: 2276400 -72.8382 57.5411 -22.2691 57.5416 -72.3146 -21.336 -22.2686 -21.3368 197.656 GPRESSURE: 2276400 -70.9964 48.4361 -58.8558 -14.426 -45.5714 32.7679 47.712 53.9692 250.984 PRESSAVG: 2276400 27.8833 -61.6496 5.54853 -61.6496 -39.6697 -13.0494 5.54854 -13.0493 -4.22898 GPRESSAVG: 2276400 28.1164 -60.4147 5.72624 -62.2943 -41.5278 -11.0288 4.74365 -15.4886 -3.13389 TIMING: 2276400 CPU: 7267.73, 0.00321318/step Wall: 7267.73, 0.00321318/step, 2.43095 hours remaining, 234.593750 MB of memory in use. ENERGY: 2276400 3952.4715 20464.1641 14502.9324 244.3488 -202929.4982 2648.9430 0.0000 0.0000 52144.1290 -108972.5095 299.6730 -161116.6385 -108610.7600 300.1400 17.5009 44.8053 762304.0190 -5.3385 -5.5151 PRESSURE: 2276600 -134.343 14.7465 21.6816 14.7454 10.4774 -154.728 21.682 -154.727 -284.175 GPRESSURE: 2276600 -54.4185 -26.9957 -59.1858 30.1006 -48.6895 -107.54 -98.7948 -63.1382 -208.635 PRESSAVG: 2276600 17.454 -48.9676 24.9423 -48.9676 -45.516 21.7617 24.9423 21.7617 -5.40312 GPRESSAVG: 2276600 16.5017 -50.5337 24.9947 -48.7414 -45.8072 18.9767 22.4943 22.8104 -4.19754 TIMING: 2276600 CPU: 7268.36, 0.00314214/step Wall: 7268.36, 0.00314214/step, 2.37703 hours remaining, 234.664062 MB of memory in use. ENERGY: 2276600 3949.0642 20455.6839 14528.4664 256.1832 -202919.5544 2473.3548 0.0000 0.0000 52164.9344 -109091.8675 299.7926 -161256.8019 -108719.7636 300.2559 -136.0135 -103.9144 762407.3151 -11.1550 -11.1677 PRESSURE: 2276800 -347.768 -72.9056 -232.835 -72.9049 -190.764 -130.259 -232.835 -130.26 -17.7928 GPRESSURE: 2276800 -254.447 -59.4285 -187.697 -19.9341 -187.721 -147.147 -206.963 -99.9958 -8.69032 PRESSAVG: 2276800 17.797 -38.307 -6.33213 -38.307 -6.34591 61.5713 -6.33215 61.5712 1.81547 GPRESSAVG: 2276800 18.3609 -37.1683 -6.58882 -39.0953 -5.28866 62.1738 -3.29025 61.4972 0.31068 TIMING: 2276800 CPU: 7268.99, 0.0031608/step Wall: 7268.99, 0.0031608/step, 2.39097 hours remaining, 234.664062 MB of memory in use. ENERGY: 2276800 3959.7181 20390.3107 14445.6309 240.8769 -202753.7731 2171.4375 0.0000 0.0000 52272.9175 -109272.8815 300.4132 -161545.7990 -108909.7641 299.3479 -185.4416 -150.2858 762311.7210 4.4222 4.4610 PRESSURE: 2277000 158.11 137.856 -92.4974 137.856 267.538 87.2632 -92.4983 87.2614 107.812 GPRESSURE: 2277000 219.299 245.466 -74.9099 136.75 273.416 0.395617 -198.477 137.49 103.947 PRESSAVG: 2277000 60.5105 -15.6725 -66.6224 -15.6725 -79.9205 18.6054 -66.6225 18.6053 -9.16154 GPRESSAVG: 2277000 59.577 -15.0256 -65.8236 -15.3559 -79.5785 18.8138 -66.8433 18.5423 -8.38661 TIMING: 2277000 CPU: 7269.62, 0.00316097/step Wall: 7269.62, 0.00316097/step, 2.39092 hours remaining, 234.664062 MB of memory in use. ENERGY: 2277000 3973.3572 20399.2134 14528.0619 223.6144 -203119.9382 2538.4534 0.0000 0.0000 51989.0187 -109468.2193 298.7816 -161457.2380 -109106.0330 298.7796 177.8201 198.8874 760773.3461 -9.5238 -9.4627 PRESSURE: 2277200 -64.7999 -179.102 -278.116 -179.102 100.389 249.711 -278.115 249.71 -31.2201 GPRESSURE: 2277200 -53.926 -23.2159 -250.806 -156.583 140.694 206.664 -210.569 123.515 -4.0626 PRESSAVG: 2277200 6.91766 -0.441996 -76.4696 -0.442007 -26.586 -14.6166 -76.4696 -14.6165 14.8955 GPRESSAVG: 2277200 6.74944 2.56393 -76.1051 -3.4122 -26.5383 -15.6778 -79.3522 -15.7755 14.6068 TIMING: 2277200 CPU: 7270.25, 0.00316311/step Wall: 7270.25, 0.00316311/step, 2.39237 hours remaining, 234.664062 MB of memory in use. ENERGY: 2277200 4003.6872 20369.9280 14517.4199 234.3879 -203257.2824 2586.9348 0.0000 0.0000 52053.0961 -109491.8285 299.1499 -161544.9246 -109135.3934 298.9035 1.4562 27.5685 758821.1859 -1.5909 -1.7274 PRESSURE: 2277400 -171.808 41.4187 -76.2654 41.4182 -58.8894 -37.9355 -76.2662 -37.9366 -435.755 GPRESSURE: 2277400 -92.9615 -77.321 -51.7955 136.218 -51.3032 39.7245 2.32886 -95.3813 -420.451 PRESSAVG: 2277400 1.64735 -19.4431 -21.5625 -19.4432 -34.5365 -45.7959 -21.5625 -45.7959 12.4399 GPRESSAVG: 2277400 2.44579 -22.7215 -21.8389 -15.6392 -35.1809 -43.4184 -19.3231 -45.5918 12.3314 TIMING: 2277400 CPU: 7270.88, 0.00314975/step Wall: 7270.88, 0.00314975/step, 2.38209 hours remaining, 234.664062 MB of memory in use. ENERGY: 2277400 4062.9707 20479.3403 14495.0748 236.7907 -203539.8921 2497.4327 0.0000 0.0000 52054.8913 -109713.3916 299.1602 -161768.2829 -109362.5473 299.1084 -222.1505 -188.2384 759394.6881 -6.8164 -6.8012 PRESSURE: 2277600 -353.976 -74.8629 122.042 -74.8638 -194.49 -140.554 122.042 -140.553 -32.4129 GPRESSURE: 2277600 -304.084 28.3015 137.677 22.1727 -129.977 -251.909 91.4406 -81.7182 -56.6385 PRESSAVG: 2277600 -39.4693 -33.5207 -51.5247 -33.5207 78.2193 -6.70624 -51.5247 -6.70618 -4.96456 GPRESSAVG: 2277600 -39.9746 -32.7425 -51.2803 -35.394 79.1342 -7.88823 -50.3941 -5.18341 -5.01948 TIMING: 2277600 CPU: 7271.51, 0.00315077/step Wall: 7271.51, 0.00315077/step, 2.38268 hours remaining, 234.664062 MB of memory in use. ENERGY: 2277600 4002.5401 20331.7607 14472.7679 231.5598 -203214.0966 2262.0467 0.0000 0.0000 52318.2972 -109595.1242 300.6740 -161913.4214 -109214.8601 299.2993 -193.6263 -163.5665 758749.0345 11.2618 11.3800 PRESSURE: 2277800 373.271 221.048 -27.7212 221.048 185.954 74.1042 -27.7219 74.1049 536.683 GPRESSURE: 2277800 311.581 175.317 -19.8925 278.352 310.134 55.6469 -22.3824 5.77702 551.637 PRESSAVG: 2277800 8.34248 -58.2222 5.78225 -58.2221 -43.9437 -14.3754 5.78231 -14.3753 13.0729 GPRESSAVG: 2277800 8.1476 -59.8511 5.13227 -56.355 -44.4551 -14.86 6.20846 -14.7893 13.4736 TIMING: 2277800 CPU: 7272.15, 0.00316161/step Wall: 7272.15, 0.00316161/step, 2.3907 hours remaining, 234.664062 MB of memory in use. ENERGY: 2277800 3987.3028 20475.6976 14532.7089 237.4784 -203545.7651 2648.0089 0.0000 0.0000 51966.5971 -109697.9714 298.6527 -161664.5685 -109337.6521 299.2969 365.3028 391.1172 759425.2588 -7.5095 -7.6113 PRESSURE: 2278000 213.874 -213.698 51.0898 -213.699 -15.3761 -81.5663 51.09 -81.5665 93.7428 GPRESSURE: 2278000 234.199 -205.183 120.481 -149.655 13.1932 -72.3789 79.2161 -118.413 122.301 PRESSAVG: 2278000 59.8454 -6.58293 -42.3035 -6.58295 -78.6676 -16.0381 -42.3034 -16.0382 -3.79061 GPRESSAVG: 2278000 62.0337 -6.30986 -41.1133 -7.31621 -80.326 -14.8671 -44.7983 -17.4919 -4.51444 TIMING: 2278000 CPU: 7272.78, 0.0031811/step Wall: 7272.78, 0.0031811/step, 2.40526 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2278000 3991.0868 20509.1086 14600.8120 263.9527 -203389.8771 2672.8598 0.0000 0.0000 51838.8649 -109513.1923 297.9187 -161352.0572 -109153.0763 299.2975 97.4137 123.2310 757576.4432 -7.5376 -7.6022 PRESSURE: 2278200 -281.026 -269.709 14.1298 -269.709 -222.737 198.566 14.1305 198.566 420.814 GPRESSURE: 2278200 -340.529 -192.117 14.7435 -189.123 -95.0751 170.948 17.8707 297.332 417.552 PRESSAVG: 2278200 -3.19912 -35.7244 24.0354 -35.7244 14.539 1.03214 24.0355 1.03206 -9.69706 GPRESSAVG: 2278200 -5.39929 -35.125 22.9623 -36.6514 16.0013 -0.691508 24.2977 0.83095 -9.05377 TIMING: 2278200 CPU: 7273.42, 0.0031982/step Wall: 7273.42, 0.0031982/step, 2.41802 hours remaining, 234.664062 MB of memory in use. ENERGY: 2278200 3920.9851 20512.5793 14516.7105 263.0743 -203317.2274 2394.4430 0.0000 0.0000 52243.9002 -109465.5350 300.2464 -161709.4352 -109112.8854 299.2686 -27.6495 -6.0176 758727.3280 0.5476 0.5161 PRESSURE: 2278400 -31.208 -241.244 -150.886 -241.245 -60.558 -151.695 -150.885 -151.694 109.745 GPRESSURE: 2278400 -45.9988 -260.626 -207.746 -351.738 68.475 -229.334 -103.388 -152.512 98.7101 PRESSAVG: 2278400 -35.0734 -36.0272 113.917 -36.0273 20.9034 -26.5712 113.917 -26.5711 -0.411281 GPRESSAVG: 2278400 -35.2402 -37.106 115.283 -36.5078 20.2767 -25.9617 114.679 -24.3513 -0.62933 TIMING: 2278400 CPU: 7274.06, 0.00319088/step Wall: 7274.06, 0.00319088/step, 2.41231 hours remaining, 234.664062 MB of memory in use. ENERGY: 2278400 3996.3917 20511.1209 14586.6865 264.3955 -203242.4545 2437.0729 0.0000 0.0000 51955.1275 -109491.6596 298.5868 -161446.7871 -109130.3630 298.9618 5.9928 40.3954 759892.7896 -4.8604 -5.1976 PRESSURE: 2278600 64.7606 -223.211 6.68926 -223.211 -15.1517 -66.9371 6.68983 -66.9381 217.881 GPRESSURE: 2278600 93.7138 -284.804 -68.7272 -192.177 -79.5649 -3.61575 -119.384 -108.869 343.39 PRESSAVG: 2278600 53.7516 -39.9469 29.3131 -39.9469 -25.7211 -2.80623 29.313 -2.80624 -23.2887 GPRESSAVG: 2278600 53.5249 -40.0008 27.9046 -39.8233 -25.6728 -2.36474 29.696 -4.60967 -23.1293 TIMING: 2278600 CPU: 7274.69, 0.00314458/step Wall: 7274.69, 0.00314458/step, 2.37713 hours remaining, 234.664062 MB of memory in use. ENERGY: 2278600 3942.9250 20518.7430 14534.8550 228.3291 -203487.2444 2608.2145 0.0000 0.0000 52195.2234 -109458.9543 299.9667 -161654.1777 -109094.6512 299.5699 89.1634 119.1796 761593.7320 1.5806 1.5743 PRESSURE: 2278800 -177.745 -212.13 21.7288 -212.13 -118.304 -138.339 21.7283 -138.339 55.1528 GPRESSURE: 2278800 -23.7665 -94.1211 -11.7186 -135.581 -207.269 -168.342 182.497 69.3801 71.908 PRESSAVG: 2278800 13.927 -45.5874 54.5843 -45.5874 -9.12161 48.7497 54.5843 48.7498 -13.0623 GPRESSAVG: 2278800 14.432 -44.7398 54.3582 -43.6948 -9.20563 48.2205 54.5696 50.235 -13.4213 TIMING: 2278800 CPU: 7275.32, 0.00315368/step Wall: 7275.32, 0.00315368/step, 2.38383 hours remaining, 234.664062 MB of memory in use. ENERGY: 2278800 4012.6933 20417.6451 14395.6998 236.2753 -203250.9984 2425.9310 0.0000 0.0000 52164.8371 -109597.9168 299.7920 -161762.7540 -109228.2277 298.9052 -80.2986 -53.0426 759257.7673 -2.7523 -2.7317 PRESSURE: 2279000 117.519 89.8763 -2.47515 89.8756 -145.648 20.3925 -2.47499 20.3932 -121.167 GPRESSURE: 2279000 178.651 45.8738 33.6549 29.9851 -117.162 -5.52922 -26.4339 52.5282 -140.708 PRESSAVG: 2279000 40.2737 -42.9313 34.4395 -42.9314 0.977986 38.7055 34.4396 38.7055 -0.558693 GPRESSAVG: 2279000 40.3834 -41.5507 35.2412 -43.4349 0.441656 39.2095 33.6602 38.432 -0.472841 TIMING: 2279000 CPU: 7275.95, 0.00315113/step Wall: 7275.95, 0.00315113/step, 2.38173 hours remaining, 234.664062 MB of memory in use. ENERGY: 2279000 4065.2210 20349.8588 14549.2895 252.4801 -203083.1554 2327.5476 0.0000 0.0000 52068.6303 -109470.1281 299.2391 -161538.7584 -109103.2318 298.9959 -49.7654 -26.4062 761081.3062 13.5643 13.4507 PRESSURE: 2279200 -442.904 33.6377 191.702 33.6373 -193.321 71.1875 191.703 71.1869 -16.6603 GPRESSURE: 2279200 -328.316 7.1802 133.98 21.7443 -136.154 138.475 228.701 8.02332 -125.181 PRESSAVG: 2279200 23.1266 -47.3283 17.3471 -47.3283 9.51615 6.38597 17.3471 6.38595 -12.4316 GPRESSAVG: 2279200 22.3448 -50.2441 17.1434 -48.4039 10.4654 5.29531 17.247 5.81744 -12.8105 TIMING: 2279200 CPU: 7276.58, 0.00314944/step Wall: 7276.58, 0.00314944/step, 2.38028 hours remaining, 234.664062 MB of memory in use. ENERGY: 2279200 4044.8512 20385.9942 14540.0393 231.3214 -202850.2302 2371.5439 0.0000 0.0000 51992.7513 -109283.7289 298.8031 -161276.4802 -108920.8585 299.0667 -217.6285 -196.5505 763133.6430 6.7370 6.6666 PRESSURE: 2279400 -128.907 -52.8252 -83.9736 -52.8252 -53.8992 -8.18828 -83.9739 -8.18884 -23.7156 GPRESSURE: 2279400 -33.6224 -57.2842 -140.025 -74.1118 -33.5578 -10.6767 -38.8178 96.6109 -56.6064 PRESSAVG: 2279400 8.17261 -43.8988 13.6669 -43.8987 -17.7308 20.5873 13.6668 20.5872 6.62786 GPRESSAVG: 2279400 9.40312 -43.9717 13.905 -44.1958 -18.6155 21.6758 14.5457 21.6528 6.38516 TIMING: 2279400 CPU: 7277.21, 0.0031592/step Wall: 7277.21, 0.0031592/step, 2.38748 hours remaining, 234.664062 MB of memory in use. ENERGY: 2279400 3879.5291 20523.3118 14581.2510 242.0546 -203146.8739 2545.6919 0.0000 0.0000 52007.0731 -109367.9623 298.8854 -161375.0354 -109005.5652 299.1460 -68.8406 -41.2622 763798.2260 -0.9768 -0.9424 PRESSURE: 2279600 219.687 -30.8682 128.51 -30.8679 -167.042 -134.552 128.509 -134.551 -87.1789 GPRESSURE: 2279600 227.984 51.4152 75.2774 59.8511 -132.207 -59.4573 150.358 -216.991 -44.1294 PRESSAVG: 2279600 12.4104 1.0526 13.3935 1.05255 -41.8062 23.9685 13.3935 23.9684 13.096 GPRESSAVG: 2279600 11.5187 4.4689 14.4174 2.52415 -40.8203 25.1062 14.0287 24.313 13.1888 TIMING: 2279600 CPU: 7277.84, 0.00315168/step Wall: 7277.84, 0.00315168/step, 2.38162 hours remaining, 234.664062 MB of memory in use. ENERGY: 2279600 3978.8747 20532.4535 14476.7225 255.4829 -203219.1429 2727.5027 0.0000 0.0000 51944.9299 -109303.1768 298.5282 -161248.1067 -108953.5362 299.1353 -11.5115 17.2161 762779.1310 -5.4333 -5.3709 PRESSURE: 2279800 107.952 -83.233 121.441 -83.2328 -117.039 161.537 121.441 161.538 -34.8429 GPRESSURE: 2279800 75.4982 -135.401 81.8748 -3.47399 27.4142 194.391 96.3963 -104.989 -56.4906 PRESSAVG: 2279800 84.5023 -36.6848 -0.661944 -36.6848 -61.1035 -0.988268 -0.661931 -0.988311 -3.67772 GPRESSAVG: 2279800 84.6676 -38.6944 -2.36067 -36.7164 -61.1986 -2.42821 -2.11693 -1.61844 -3.36546 TIMING: 2279800 CPU: 7278.47, 0.00316202/step Wall: 7278.47, 0.00316202/step, 2.38926 hours remaining, 234.664062 MB of memory in use. ENERGY: 2279800 3936.5463 20510.7946 14470.8065 243.0726 -203368.8913 2743.1206 0.0000 0.0000 52094.1379 -109370.4128 299.3857 -161464.5507 -109018.5488 299.3634 -14.6433 15.4739 762434.4893 6.5737 6.7012 PRESSURE: 2280000 104.424 -85.8088 -235.93 -85.8083 160.601 101.009 -235.931 101.01 -95.6404 GPRESSURE: 2280000 152.073 -58.1514 -228.424 -69.0974 215.734 72.0094 -245.319 101.052 -126.811 PRESSAVG: 2280000 39.8772 -52.1332 -16.1837 -52.1332 -74.2564 -8.73115 -16.1838 -8.73116 -11.0689 GPRESSAVG: 2280000 40.2071 -53.9098 -14.6521 -53.9455 -74.1236 -7.79307 -17.1029 -9.8071 -11.5407 TIMING: 2280000 CPU: 7279.11, 0.00316354/step Wall: 7279.11, 0.00316355/step, 2.39023 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2280000 3994.2709 20343.5034 14519.4856 239.8935 -203418.6662 2663.3231 0.0000 0.0000 52076.9271 -109581.2628 299.2868 -161658.1899 -109210.9370 298.9871 56.4615 80.3320 761201.8156 -15.1494 -15.1524 PRESSURE: 2280200 61.3096 176.431 -78.3092 176.43 75.8419 30.8078 -78.3101 30.8082 -51.6949 GPRESSURE: 2280200 -6.58356 128.196 -79.0002 192.131 106.201 -30.3984 -80.27 -38.6868 90.7381 PRESSAVG: 2280200 44.6239 -7.07842 -4.79015 -7.07849 -16.766 11.317 -4.7902 11.317 17.3207 GPRESSAVG: 2280200 44.4079 -6.90357 -5.59723 -5.98038 -17.3721 11.5061 -2.93568 10.5379 17.8229 TIMING: 2280200 CPU: 7279.74, 0.00315802/step Wall: 7279.74, 0.00315802/step, 2.38588 hours remaining, 234.664062 MB of memory in use. ENERGY: 2280200 3951.5771 20412.1496 14447.4294 255.5753 -203262.3324 2678.0262 0.0000 0.0000 52083.5155 -109434.0593 299.3247 -161517.5749 -109077.1520 299.0675 28.4856 63.4520 762271.2699 15.0595 14.9529 LDB: ============= START OF LOAD BALANCING ============== 7292.16 LDB: ============== END OF LOAD BALANCING =============== 7292.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7292.16 LDB: ============= START OF LOAD BALANCING ============== 7292.48 LDB: Largest compute 7034 load 0.032936 is 16.9% of average load 0.195323 LDB: Average compute 0.004405 is 2.3% of average load 0.195323 LDB: TIME 7292.48 LOAD: AVG 0.195323 MAX 0.213697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.883 MB LDB: TIME 7292.48 LOAD: AVG 0.195323 MAX 0.213697 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.883 MB LDB: TIME 7292.48 LOAD: AVG 0.195323 MAX 0.213697 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.883 MB LDB: ============== END OF LOAD BALANCING =============== 7292.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7292.49 PRESSURE: 2280400 -56.1225 -280.343 -112.265 -280.343 -261.871 29.24 -112.265 29.2391 3.62949 GPRESSURE: 2280400 -115.984 -171.671 -56.1656 -274.202 -101.443 74.4448 -215.924 80.5785 -5.13657 PRESSAVG: 2280400 51.1008 -35.2493 11.5655 -35.2493 -51.0421 51.1072 11.5655 51.1072 22.3696 GPRESSAVG: 2280400 50.8609 -33.7237 10.9445 -34.1489 -49.7066 51.2642 12.3474 52.0209 21.6757 TIMING: 2280400 CPU: 7280.38, 0.0032198/step Wall: 7280.38, 0.0032198/step, 2.43238 hours remaining, 233.429688 MB of memory in use. ENERGY: 2280400 3908.9802 20391.7339 14516.8454 259.0827 -202907.7939 2468.9177 0.0000 0.0000 51985.3403 -109376.8937 298.7605 -161362.2339 -109029.6589 299.1393 -104.7881 -74.1878 763301.4075 7.4761 7.6100 PRESSURE: 2280600 24.4574 19.8541 -105.101 19.8544 241.206 -307.907 -105.1 -307.908 354.794 GPRESSURE: 2280600 43.6049 32.812 -136.38 148.68 300.255 -259.085 -14.7884 -319.955 337.281 PRESSAVG: 2280600 24.3592 -52.3095 -39.7701 -52.3095 -10.2231 38.8756 -39.7701 38.8755 3.41966 GPRESSAVG: 2280600 24.7706 -52.839 -37.9628 -55.4886 -10.942 37.691 -41.1006 38.8072 2.94755 TIMING: 2280600 CPU: 7281.01, 0.00315332/step Wall: 7281.01, 0.00315332/step, 2.38198 hours remaining, 233.628906 MB of memory in use. ENERGY: 2280600 3943.6317 20395.8159 14501.4413 252.4783 -203354.2651 2609.6301 0.0000 0.0000 52274.3296 -109376.9382 300.4213 -161651.2678 -109008.8326 299.3845 206.8192 227.0471 762102.6311 5.8519 5.5920 PRESSURE: 2280800 104.713 -105.495 -39.2698 -105.495 97.9995 338.716 -39.2703 338.716 -727.996 GPRESSURE: 2280800 106.027 -75.1102 -9.31272 -92.0101 120.765 213.47 58.4382 329.571 -638.846 PRESSAVG: 2280800 27.3096 -55.4679 -47.4689 -55.4679 -16.6962 6.21657 -47.4688 6.21657 -46.0513 GPRESSAVG: 2280800 27.3635 -54.4079 -47.5799 -52.0813 -17.6303 6.78756 -47.1271 8.77118 -44.8773 TIMING: 2280800 CPU: 7281.64, 0.00315218/step Wall: 7281.64, 0.00315218/step, 2.38095 hours remaining, 233.628906 MB of memory in use. ENERGY: 2280800 3984.6482 20325.9698 14448.8977 242.5773 -203329.0685 2704.3473 0.0000 0.0000 52266.4968 -109356.1313 300.3763 -161622.6281 -108983.9967 299.4374 -175.0945 -137.3516 761553.9190 -11.8126 -11.7147 PRESSURE: 2281000 -138.271 -195.559 -80.2454 -195.559 85.5793 5.36907 -80.2447 5.36858 -30.171 GPRESSURE: 2281000 -11.7871 -356.719 -26.6768 -118.138 156.461 -8.21585 -126.633 55.5966 -130.67 PRESSAVG: 2281000 -28.7334 -32.7411 31.8638 -32.7411 64.7797 -50.1223 31.8638 -50.1223 7.28809 GPRESSAVG: 2281000 -28.5805 -35.5822 32.5892 -33.9042 65.6357 -50.9589 29.8653 -52.1336 5.83808 TIMING: 2281000 CPU: 7282.28, 0.00317328/step Wall: 7282.28, 0.00317328/step, 2.39671 hours remaining, 233.628906 MB of memory in use. ENERGY: 2281000 3996.9561 20399.4071 14436.0419 244.2310 -203538.9618 2745.2522 0.0000 0.0000 52121.8650 -109595.2084 299.5451 -161717.0734 -109230.7518 299.2504 -27.6210 4.6678 761790.1684 14.4448 14.2977 PRESSURE: 2281200 416.677 -193.755 -157.403 -193.755 155.515 -3.30166 -157.402 -3.30153 499.294 GPRESSURE: 2281200 397.772 -167.807 -225.563 -269.213 216.974 88.156 1.30641 -7.96655 538.317 PRESSAVG: 2281200 23.588 -30.8239 -29.2177 -30.8239 2.39079 6.73344 -29.2176 6.73349 -4.43751 GPRESSAVG: 2281200 23.2944 -29.2179 -32.1194 -31.9005 1.83961 6.60456 -28.7237 6.24 -3.85064 TIMING: 2281200 CPU: 7282.91, 0.00315692/step Wall: 7282.91, 0.00315692/step, 2.38417 hours remaining, 233.628906 MB of memory in use. ENERGY: 2281200 3936.9760 20423.8044 14568.8561 255.8630 -203759.0949 3010.3595 0.0000 0.0000 52258.1791 -109305.0568 300.3285 -161563.2360 -108948.2337 299.5959 357.1617 384.3543 761099.0042 7.1804 7.0944 PRESSURE: 2281400 11.8691 -59.1228 -67.6441 -59.124 101.018 -16.1171 -67.6433 -16.1165 -25.2784 GPRESSURE: 2281400 64.6769 123.239 -70.2789 -90.5608 100.848 28.9363 -6.39334 -83.6753 16.2066 PRESSAVG: 2281400 -17.2145 10.0574 -36.7767 10.0574 -24.0933 -30.5282 -36.7766 -30.5281 13.6332 GPRESSAVG: 2281400 -16.6678 11.1013 -36.2907 10.7172 -24.3284 -29.5903 -34.9938 -30.4184 13.3628 TIMING: 2281400 CPU: 7283.54, 0.00314665/step Wall: 7283.54, 0.00314665/step, 2.37625 hours remaining, 233.628906 MB of memory in use. ENERGY: 2281400 3866.8198 20349.0549 14465.5537 244.1440 -203321.6866 2557.7242 0.0000 0.0000 52449.4415 -109388.9485 301.4277 -161838.3900 -109026.6650 299.7677 29.2030 60.5770 760846.5329 -9.2249 -9.2111 PRESSURE: 2281600 -42.4375 -262.49 142.763 -262.49 -205.534 -45.5653 142.764 -45.5648 -528.407 GPRESSURE: 2281600 -73.517 -163.336 61.992 -179.101 -113.266 -34.9751 211.497 -69.4918 -514.943 PRESSAVG: 2281600 7.34493 -40.3143 -1.29057 -40.3143 39.3236 -33.4849 -1.29056 -33.485 -28.4009 GPRESSAVG: 2281600 7.57004 -39.9499 -0.430382 -39.4287 39.0585 -32.9797 -0.408822 -33.8152 -27.6038 TIMING: 2281600 CPU: 7284.17, 0.00315133/step Wall: 7284.17, 0.00315133/step, 2.3796 hours remaining, 233.628906 MB of memory in use. ENERGY: 2281600 4002.2846 20554.3511 14501.0068 247.4102 -202923.5532 2450.2414 0.0000 0.0000 51923.2835 -109244.9756 298.4038 -161168.2591 -108900.2455 299.9085 -258.7927 -233.9086 761842.5493 6.0892 6.3416 PRESSURE: 2281800 -85.4242 -86.2053 140.71 -86.2053 231.106 99.7398 140.71 99.738 358.539 GPRESSURE: 2281800 -2.83325 -146.127 157.266 -58.8095 203.689 103.868 80.256 49.9055 386.848 PRESSAVG: 2281800 2.35494 -54.3917 5.49101 -54.3917 2.46257 28.0508 5.49101 28.0508 -4.55752 GPRESSAVG: 2281800 1.62567 -56.0205 5.04821 -53.9619 3.06798 28.2273 4.92524 28.6098 -4.47199 TIMING: 2281800 CPU: 7284.8, 0.00315486/step Wall: 7284.8, 0.00315486/step, 2.38209 hours remaining, 233.628906 MB of memory in use. ENERGY: 2281800 3990.0659 20419.0400 14462.7566 236.8488 -203074.3858 2740.3941 0.0000 0.0000 52037.5364 -109187.7440 299.0604 -161225.2804 -108834.0341 299.8837 168.0736 195.9014 760874.5437 0.0867 0.0739 PRESSURE: 2282000 -213.265 -105.327 -119.493 -105.326 -36.0059 11.1527 -119.494 11.1517 215.739 GPRESSURE: 2282000 -55.7334 14.0708 -57.2462 -190.005 -107.471 -129.564 -27.9524 85.5066 206.67 PRESSAVG: 2282000 -19.7319 -73.5331 -7.73328 -73.5331 -43.9743 31.246 -7.73324 31.246 -2.62896 GPRESSAVG: 2282000 -18.4591 -72.8977 -7.03867 -73.3727 -44.6751 29.9324 -10.2148 29.0345 -3.8405 TIMING: 2282000 CPU: 7285.43, 0.00313768/step Wall: 7285.43, 0.00313768/step, 2.36895 hours remaining, 233.628906 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: 2282000 3969.7809 20378.5488 14387.9133 237.3106 -202885.6277 2566.8367 0.0000 0.0000 52221.3121 -109123.9253 300.1166 -161345.2374 -108759.5695 299.3718 -11.1774 14.4883 761731.4595 -22.1117 -22.3249 PRESSURE: 2282200 616.653 -175.027 -68.2625 -175.027 -56.565 -107.576 -68.2633 -107.577 185.608 GPRESSURE: 2282200 630.061 -77.9516 -69.2363 -79.6888 5.94382 -102.541 -103.017 -83.2874 194.847 PRESSAVG: 2282200 12.1368 -93.8084 -53.1567 -93.8084 -10.8901 29.7581 -53.1566 29.7581 15.6046 GPRESSAVG: 2282200 12.0663 -94.1979 -53.9793 -93.2815 -11.6975 29.1682 -51.5887 31.5945 15.9157 TIMING: 2282200 CPU: 7286.06, 0.00313892/step Wall: 7286.06, 0.00313892/step, 2.36971 hours remaining, 233.628906 MB of memory in use. ENERGY: 2282200 3908.6415 20623.6473 14458.5166 248.3152 -203082.4533 2505.1290 0.0000 0.0000 52039.7428 -109298.4609 299.0731 -161338.2037 -108939.9507 299.8151 248.5654 276.9508 759406.3630 5.6171 5.4282 PRESSURE: 2282400 51.4847 87.73 -221.938 87.7298 244.821 162.384 -221.939 162.384 -331.911 GPRESSURE: 2282400 77.3789 70.3073 -218.888 52.5874 252.078 153.638 -59.8342 208.715 -273.791 PRESSAVG: 2282400 10.7288 -96.6323 -35.3496 -96.6323 -2.84068 -40.6583 -35.3496 -40.6583 8.04267 GPRESSAVG: 2282400 10.0357 -96.4257 -35.8703 -97.3523 -2.01524 -39.3216 -37.201 -41.429 8.44258 TIMING: 2282400 CPU: 7286.69, 0.00314852/step Wall: 7286.69, 0.00314852/step, 2.37678 hours remaining, 233.628906 MB of memory in use. ENERGY: 2282400 4029.5103 20559.4415 14567.8304 239.6145 -203200.8685 2615.4095 0.0000 0.0000 52190.8453 -108998.2170 299.9415 -161189.0623 -108639.4639 299.7276 -11.8685 18.5553 760844.6405 5.3103 5.4877 PRESSURE: 2282600 94.6001 -40.6878 -154.698 -40.687 -322.082 203.24 -154.698 203.24 -139.009 GPRESSURE: 2282600 100.518 -21.7434 -84.0416 -115.463 -228.95 204.528 -137.245 207.867 -153.321 PRESSAVG: 2282600 29.5823 -69.3148 -83.6269 -69.3149 -27.3355 25.9704 -83.6269 25.9705 -5.91727 GPRESSAVG: 2282600 29.7898 -70.4083 -82.7513 -70.2972 -27.3346 25.2853 -81.4574 25.7729 -6.31845 TIMING: 2282600 CPU: 7287.32, 0.00315937/step Wall: 7287.32, 0.00315937/step, 2.3848 hours remaining, 233.628906 MB of memory in use. ENERGY: 2282600 3995.2914 20501.1459 14537.2671 251.4132 -202915.2394 2411.4033 0.0000 0.0000 52265.5635 -108953.1550 300.3709 -161218.7185 -108584.8005 300.4091 -122.1635 -93.9173 760399.7557 -1.2235 -1.2878 PRESSURE: 2282800 -80.7609 -214.048 -130.203 -214.049 -160.929 -193.114 -130.203 -193.113 -21.6756 GPRESSURE: 2282800 -78.6156 -337.316 -170.066 -126.009 -141.307 -235.862 -134.299 -158.975 20.1774 PRESSAVG: 2282800 46.036 -15.3413 -12.4195 -15.3413 -23.9503 33.7044 -12.4195 33.7045 -2.13371 GPRESSAVG: 2282800 45.3239 -13.1834 -12.573 -14.6344 -23.8071 33.5276 -11.2593 34.8724 -1.67096 TIMING: 2282800 CPU: 7287.95, 0.00315304/step Wall: 7287.95, 0.00315304/step, 2.37985 hours remaining, 233.628906 MB of memory in use. ENERGY: 2282800 3953.6996 20422.1494 14429.4890 237.3045 -202922.4698 2267.1375 0.0000 0.0000 52359.0336 -109253.6562 300.9081 -161612.6898 -108886.8319 299.8975 -87.7884 -66.5818 761488.5063 6.6507 6.6153 PRESSURE: 2283000 28.4105 -222.429 -222.976 -222.43 195.971 -166.832 -222.975 -166.831 -179.064 GPRESSURE: 2283000 182.059 -230.906 -291.603 -339.527 175.193 -206.013 -131.39 -102.618 -220.591 PRESSAVG: 2283000 20.0439 -64.8238 -28.2241 -64.8238 -33.5318 -38.2092 -28.224 -38.2092 12.3209 GPRESSAVG: 2283000 21.1816 -65.7107 -28.5117 -65.1942 -34.6488 -37.4703 -32.8006 -38.7681 12.6881 TIMING: 2283000 CPU: 7288.58, 0.00316989/step Wall: 7288.58, 0.00316989/step, 2.39239 hours remaining, 233.628906 MB of memory in use. ENERGY: 2283000 4002.5208 20524.8376 14459.5363 237.3615 -203443.7701 2877.5032 0.0000 0.0000 52087.5747 -109254.4360 299.3480 -161342.0107 -108896.2118 300.0172 15.1061 45.5535 760363.1725 -0.3890 -0.2597 PRESSURE: 2283200 94.5914 98.5749 201.467 98.575 -118.599 -8.88086 201.467 -8.88163 263.483 GPRESSURE: 2283200 85.2915 -5.81152 179.761 216.901 -144.247 -29.4663 289.425 -76.2941 381.225 PRESSAVG: 2283200 5.48687 -32.1326 24.8847 -32.1326 -5.83876 -40.6614 24.8847 -40.6615 31.2085 GPRESSAVG: 2283200 4.50721 -33.2206 25.0894 -30.9272 -5.27525 -41.56 28.3346 -40.0255 31.1705 TIMING: 2283200 CPU: 7289.22, 0.00317107/step Wall: 7289.22, 0.00317107/step, 2.3931 hours remaining, 233.628906 MB of memory in use. ENERGY: 2283200 3991.7643 20442.2889 14443.4698 248.6193 -203136.8479 2575.8840 0.0000 0.0000 52194.1538 -109240.6678 299.9605 -161434.8215 -108881.8265 299.6549 79.8253 107.4232 762064.0818 10.2855 10.1341 PRESSURE: 2283400 -248.518 79.2455 -32.3514 79.245 110.1 -30.732 -32.3512 -30.7324 93.2786 GPRESSURE: 2283400 -142.487 9.57624 -25.4883 53.7246 103.115 -33.4493 -85.8074 90.2023 72.9864 PRESSAVG: 2283400 14.244 -22.2851 -10.9634 -22.285 18.6076 -8.78902 -10.9633 -8.78901 13.2777 GPRESSAVG: 2283400 14.3905 -20.5262 -12.3919 -23.569 19.0984 -7.9011 -12.1661 -5.547 13.3328 TIMING: 2283400 CPU: 7289.84, 0.00313942/step Wall: 7289.84, 0.00313942/step, 2.36904 hours remaining, 233.628906 MB of memory in use. ENERGY: 2283400 4008.4451 20451.9682 14468.1050 249.3346 -202930.1193 2433.8715 0.0000 0.0000 52138.0212 -109180.3738 299.6379 -161318.3949 -108818.1572 299.6258 -15.0464 11.2047 761375.8044 15.3764 15.6072 PRESSURE: 2283600 -158.294 -232.629 190.068 -232.63 -168.339 30.7098 190.069 30.7104 322.807 GPRESSURE: 2283600 -59.2846 -249.624 220.228 -201.845 -149.25 7.82064 99.1412 -31.8446 281.86 PRESSAVG: 2283600 -18.8473 -25.747 -44.5796 -25.7469 -30.0005 -19.1778 -44.5796 -19.1778 7.3653 GPRESSAVG: 2283600 -17.3136 -26.8348 -43.8545 -26.6243 -31.1895 -18.9429 -44.8168 -23.9864 6.89537 TIMING: 2283600 CPU: 7290.48, 0.00317579/step Wall: 7290.48, 0.00317579/step, 2.39631 hours remaining, 233.628906 MB of memory in use. ENERGY: 2283600 4015.0660 20444.9766 14424.8655 239.6705 -202933.5583 2563.9424 0.0000 0.0000 52136.8049 -109108.2322 299.6309 -161245.0371 -108747.2901 299.4031 -1.2755 24.4416 761130.0180 -13.8275 -13.8693 PRESSURE: 2283800 88.4842 -13.7369 77.1921 -13.736 181.506 -4.12928 77.193 -4.12946 29.9064 GPRESSURE: 2283800 129.623 39.0823 21.3044 -68.7265 215.756 -39.5777 -9.68524 -0.622717 24.675 PRESSAVG: 2283800 17.0943 -10.7555 24.7708 -10.7555 -19.9708 -41.5513 24.7708 -41.5513 -14.3878 GPRESSAVG: 2283800 15.9517 -11.383 26.0073 -9.14939 -19.8476 -41.6114 25.2802 -42.3937 -13.979 TIMING: 2283800 CPU: 7291.11, 0.00315374/step Wall: 7291.11, 0.00315374/step, 2.3795 hours remaining, 233.628906 MB of memory in use. ENERGY: 2283800 3953.2520 20399.4875 14430.5556 262.4872 -203081.9466 2631.4797 0.0000 0.0000 52226.3039 -109178.3807 300.1453 -161404.6846 -108801.4632 299.5927 99.9655 123.3514 762303.6609 -5.7548 -5.9583 PRESSURE: 2284000 188.734 -129.26 -14.0354 -129.26 264.117 39.856 -14.0353 39.8566 345.415 GPRESSURE: 2284000 144.741 -289.602 -63.1069 -99.8251 306.274 -11.9065 137.23 153.525 425.768 PRESSAVG: 2284000 -32.3061 -78.0352 -34.9985 -78.0352 -3.62269 -16.2353 -34.9985 -16.2353 18.105 GPRESSAVG: 2284000 -32.7947 -77.2398 -35.263 -78.4278 -2.29345 -16.5924 -34.1709 -12.6522 17.4953 TIMING: 2284000 CPU: 7291.74, 0.00316345/step Wall: 7291.74, 0.00316345/step, 2.38664 hours remaining, 233.628906 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: 2284000 4003.9233 20448.1616 14462.1940 229.2813 -203115.0583 2679.9885 0.0000 0.0000 52029.4262 -109262.0835 299.0138 -161291.5097 -108904.4807 299.1947 266.0889 292.2611 761857.3468 -5.9413 -5.8643 PRESSURE: 2284200 -312.763 25.889 -315.83 25.889 55.5341 221.716 -315.83 221.717 -157.208 GPRESSURE: 2284200 -224.632 -105.663 -323.985 6.45837 70.9798 186.941 -212.983 67.2624 -177.658 PRESSAVG: 2284200 -52.6865 -24.6305 -47.8733 -24.6305 38.5675 19.167 -47.8733 19.167 -3.54061 GPRESSAVG: 2284200 -52.2673 -24.9512 -48.8985 -23.5224 38.2635 18.4199 -46.493 17.8619 -3.87996 TIMING: 2284200 CPU: 7292.37, 0.00314636/step Wall: 7292.37, 0.00314636/step, 2.37358 hours remaining, 233.628906 MB of memory in use. ENERGY: 2284200 4012.3933 20593.3805 14447.2582 252.1883 -203324.0007 2625.4595 0.0000 0.0000 52292.8203 -109100.5006 300.5276 -161393.3209 -108737.3726 299.5696 -138.1455 -110.4366 762757.2609 -5.8866 -5.9612 LDB: ============= START OF LOAD BALANCING ============== 7304.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7304.79 LDB: =============== DONE WITH MIGRATION ================ 7304.79 LDB: ============= START OF LOAD BALANCING ============== 7305.11 LDB: Largest compute 7025 load 0.034195 is 17.5% of average load 0.195356 LDB: Average compute 0.004409 is 2.3% of average load 0.195356 LDB: TIME 7305.11 LOAD: AVG 0.195356 MAX 0.216218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 7305.11 LOAD: AVG 0.195356 MAX 0.216218 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 7305.11 LOAD: AVG 0.195356 MAX 0.216218 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 7305.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7305.12 PRESSURE: 2284400 -300.369 -125.959 327.669 -125.959 335.577 50.9116 327.669 50.9115 -113.374 GPRESSURE: 2284400 -97.5125 -64.5789 232.294 -131.779 248.068 -9.12001 218.574 46.9776 -138.448 PRESSAVG: 2284400 9.35939 -69.3329 40.8444 -69.3329 -10.0928 -36.6601 40.8444 -36.66 -5.03929 GPRESSAVG: 2284400 10.2994 -68.5398 41.7679 -70.5002 -10.1412 -36.18 37.4251 -36.426 -5.54913 TIMING: 2284400 CPU: 7293.01, 0.00320413/step Wall: 7293.01, 0.00320413/step, 2.41698 hours remaining, 232.851562 MB of memory in use. ENERGY: 2284400 4050.7149 20593.5668 14450.6245 256.5219 -203361.1805 2689.2505 0.0000 0.0000 52010.3495 -109310.1524 298.9042 -161320.5019 -108943.7567 299.2690 -26.0554 4.0357 761265.5784 -1.9242 -1.7970 PRESSURE: 2284600 -322.862 -224.432 315.387 -224.432 -188.722 -88.6485 315.387 -88.6474 -295.827 GPRESSURE: 2284600 -274.763 -94.7685 293.254 -90.8705 -169.321 -42.3382 188.314 -50.4766 -278.313 PRESSAVG: 2284600 4.18665 -46.4946 11.7349 -46.4946 -30.9331 -88.1216 11.735 -88.1216 -25.5206 GPRESSAVG: 2284600 4.02299 -48.031 10.9477 -44.7269 -31.7162 -87.7243 14.1006 -86.0026 -24.7592 TIMING: 2284600 CPU: 7293.64, 0.0031473/step Wall: 7293.64, 0.0031473/step, 2.37394 hours remaining, 232.851562 MB of memory in use. ENERGY: 2284600 4016.4623 20455.0533 14512.7591 241.9262 -202949.7581 2214.7336 0.0000 0.0000 52182.8423 -109325.9813 299.8955 -161508.8236 -108956.3932 299.4614 -269.1370 -240.7989 761802.2457 -17.4223 -17.4841 PRESSURE: 2284800 176.987 57.3312 106.405 57.3316 29.819 358.349 106.405 358.347 86.395 GPRESSURE: 2284800 150.525 20.6366 35.2671 20.2221 108.697 262.691 37.5402 320.21 133.03 PRESSAVG: 2284800 2.01671 -5.9208 19.5003 -5.92078 24.4931 -37.7108 19.5002 -37.7107 -4.15194 GPRESSAVG: 2284800 1.57515 -7.01625 20.297 -4.80809 24.6622 -38.18 19.9922 -40.6594 -3.76719 TIMING: 2284800 CPU: 7294.28, 0.00316801/step Wall: 7294.28, 0.00316801/step, 2.38939 hours remaining, 232.851562 MB of memory in use. ENERGY: 2284800 4050.3056 20420.5209 14509.6114 245.7703 -203320.1625 2682.9282 0.0000 0.0000 52030.9922 -109380.0339 299.0228 -161411.0261 -109016.7389 299.5298 97.7336 130.7507 760078.6221 7.4526 7.4901 PRESSURE: 2285000 -5.46573 96.0305 -143.083 96.031 99.9284 85.0513 -143.083 85.0505 285.365 GPRESSURE: 2285000 -27.5564 115.188 23.1415 20.8281 220.264 -14.9405 -146.189 33.2922 293.552 PRESSAVG: 2285000 11.3843 -24.8477 -17.0577 -24.8477 -6.12704 66.7661 -17.0578 66.766 -8.48515 GPRESSAVG: 2285000 11.8871 -24.8493 -16.0372 -26.6945 -5.94718 66.7616 -18.9852 67.6205 -8.79319 TIMING: 2285000 CPU: 7294.9, 0.00313904/step Wall: 7294.9, 0.00313904/step, 2.36736 hours remaining, 232.851562 MB of memory in use. ENERGY: 2285000 3891.6921 20622.7603 14471.1174 257.3834 -203035.7014 2529.2771 0.0000 0.0000 51733.7784 -109529.6927 297.3147 -161263.4710 -109163.4038 299.1822 126.6092 162.0862 761261.0540 -1.0760 -0.9511 PRESSURE: 2285200 -84.6517 -182.866 226.042 -182.867 -15.1624 90.2292 226.043 90.2298 -264.836 GPRESSURE: 2285200 -119.853 -99.8198 212.931 -220.402 15.7831 101.65 151.621 177.855 -170.114 PRESSAVG: 2285200 -42.4037 -58.631 -10.5023 -58.631 -2.78799 14.1815 -10.5024 14.1815 2.00371 GPRESSAVG: 2285200 -43.4218 -58.3798 -10.5886 -56.1687 -2.46921 14.7363 -8.84633 13.8987 3.16824 TIMING: 2285200 CPU: 7295.54, 0.00317346/step Wall: 7295.54, 0.00317346/step, 2.39314 hours remaining, 232.851562 MB of memory in use. ENERGY: 2285200 3993.3732 20373.5423 14476.2394 265.4208 -203111.1764 2523.5101 0.0000 0.0000 52057.1204 -109421.9702 299.1730 -161479.0907 -109059.3205 299.1507 -121.5501 -91.3947 760455.2306 -14.3960 -14.2409 PRESSURE: 2285400 -20.785 18.0476 5.06703 18.0479 -110.274 -136.748 5.06797 -136.748 -30.1439 GPRESSURE: 2285400 67.1366 46.9868 -8.73074 -25.3993 -69.9973 -152.945 86.8946 -239.982 -69.8329 PRESSAVG: 2285400 -26.1313 11.3381 -2.17334 11.3381 19.9878 47.0513 -2.17329 47.0513 25.9503 GPRESSAVG: 2285400 -25.1994 12.2665 -2.67801 9.04836 20.2454 45.3233 -3.44354 48.9068 25.3226 TIMING: 2285400 CPU: 7296.17, 0.00315064/step Wall: 7296.17, 0.00315064/step, 2.37575 hours remaining, 232.851562 MB of memory in use. ENERGY: 2285400 4011.9540 20427.6802 14430.2962 248.9375 -202971.6191 2506.3294 0.0000 0.0000 52084.8734 -109261.5484 299.3325 -161346.4217 -108899.4027 299.2833 -53.7344 -24.2312 762508.2771 6.6023 6.7895 PRESSURE: 2285600 146.804 123.426 60.7305 123.425 -36.2452 -187.702 60.7296 -187.701 -513.85 GPRESSURE: 2285600 147.841 165.185 103.889 93.7835 1.19605 -112.969 -4.87403 -160.536 -490.192 PRESSAVG: 2285600 11.5056 10.8439 -2.43241 10.8438 -3.89133 -35.0085 -2.43241 -35.0085 -14.0624 GPRESSAVG: 2285600 11.6875 10.1523 -1.81241 11.1172 -2.60821 -33.0569 -5.17415 -37.3132 -15.5901 TIMING: 2285600 CPU: 7296.8, 0.00316362/step Wall: 7296.8, 0.00316362/step, 2.38537 hours remaining, 232.851562 MB of memory in use. ENERGY: 2285600 3982.0015 20638.3247 14505.8905 250.8354 -203248.6055 2499.5077 0.0000 0.0000 52325.6556 -109046.3902 300.7163 -161372.0458 -108682.9729 299.4311 -134.4305 -113.7182 761051.4862 -2.1494 -2.1703 PRESSURE: 2285800 36.9497 -32.733 -95.86 -32.7332 -148.841 224.85 -95.8595 224.851 -62.8844 GPRESSURE: 2285800 38.933 -10.3628 -125.081 40.7264 -137.307 229.677 38.4712 195.499 -2.83825 PRESSAVG: 2285800 14.8851 -24.4524 16.1149 -24.4524 0.00385643 -27.2921 16.1149 -27.2921 -7.62122 GPRESSAVG: 2285800 14.7905 -22.3522 12.7994 -27.4325 -1.05388 -27.9654 18.5848 -26.3501 -7.11214 TIMING: 2285800 CPU: 7297.43, 0.00316415/step Wall: 7297.43, 0.00316415/step, 2.38559 hours remaining, 232.851562 MB of memory in use. ENERGY: 2285800 3943.0581 20700.6769 14468.2415 238.6577 -203168.6381 2511.1473 0.0000 0.0000 52181.2746 -109125.5821 299.8865 -161306.8567 -108774.2108 300.0330 -58.2585 -33.7373 761375.4586 2.4226 2.2082 PRESSURE: 2286000 -156.375 -154.947 -21.8543 -154.947 -416.008 -142.467 -21.8542 -142.468 222.429 GPRESSURE: 2286000 -91.1699 -31.5683 -80.691 -169.718 -411.783 -104.057 -7.35988 -15.5073 224.123 PRESSAVG: 2286000 56.0769 -16.8859 -10.3695 -16.8858 -5.25733 -8.54018 -10.3695 -8.54013 -0.581521 GPRESSAVG: 2286000 55.879 -17.4698 -10.5301 -15.7917 -5.65995 -8.71914 -7.94741 -9.24971 0.171559 TIMING: 2286000 CPU: 7298.07, 0.00316959/step Wall: 7298.07, 0.00316959/step, 2.38952 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2286000 4018.4993 20691.0335 14502.6258 232.7932 -203767.2205 2752.9047 0.0000 0.0000 52114.3375 -109455.0265 299.5018 -161569.3640 -109092.3147 299.9719 -116.6514 -92.9431 761294.5361 16.7460 16.7969 PRESSURE: 2286200 -38.3161 -56.7191 -75.2796 -56.7186 -329.35 -21.2546 -75.2799 -21.2545 -257.134 GPRESSURE: 2286200 23.5097 -28.9741 47.0021 41.7648 -362.171 18.6483 -83.1399 -32.8915 -218.602 PRESSAVG: 2286200 32.8227 -78.0855 27.598 -78.0856 1.37902 26.2591 27.5979 26.2591 13.9753 GPRESSAVG: 2286200 32.7663 -79.103 29.3546 -77.0263 1.57583 25.8847 27.1576 26.1667 13.9917 TIMING: 2286200 CPU: 7298.7, 0.00313888/step Wall: 7298.7, 0.00313888/step, 2.36619 hours remaining, 232.851562 MB of memory in use. ENERGY: 2286200 3928.9341 20558.1590 14493.5326 271.8094 -203641.4807 2724.9711 0.0000 0.0000 52186.8995 -109477.1749 299.9188 -161664.0744 -109110.5554 299.3906 -208.2668 -185.7543 762183.9122 16.0590 16.1113 PRESSURE: 2286400 13.3978 128.977 61.0977 128.977 240.791 -59.6424 61.0965 -59.6419 152.139 GPRESSURE: 2286400 57.0036 54.9608 74.3246 131.154 250.445 -126.764 57.0025 -93.0113 172.316 PRESSAVG: 2286400 75.9786 19.2776 1.68473 19.2775 -59.6848 5.22503 1.68472 5.22502 -15.1314 GPRESSAVG: 2286400 76.5338 19.0264 0.71663 19.5383 -60.2007 6.30186 1.40455 6.21374 -15.5617 TIMING: 2286400 CPU: 7299.33, 0.00315934/step Wall: 7299.33, 0.00315934/step, 2.38144 hours remaining, 232.851562 MB of memory in use. ENERGY: 2286400 4035.2766 20386.6311 14415.5017 241.1465 -203676.6023 2989.4402 0.0000 0.0000 52178.6837 -109429.9225 299.8716 -161608.6062 -109061.2890 299.4078 135.4426 159.9216 762618.5002 0.3875 0.2571 PRESSURE: 2286600 -163.35 -62.0215 116.991 -62.0219 -110.405 137.944 116.991 137.944 432.028 GPRESSURE: 2286600 -78.8737 -103.022 24.8594 58.0615 -77.9894 74.7621 61.5985 39.3376 390.404 PRESSAVG: 2286600 19.6814 -25.5323 -5.22044 -25.5322 -19.3657 -21.9928 -5.2204 -21.9928 8.09055 GPRESSAVG: 2286600 19.6919 -26.304 -4.31384 -23.355 -18.8517 -22.0491 -5.98697 -21.938 7.38898 TIMING: 2286600 CPU: 7299.97, 0.00319363/step Wall: 7299.97, 0.00319363/step, 2.40711 hours remaining, 232.851562 MB of memory in use. ENERGY: 2286600 3962.9858 20470.1359 14482.8462 256.9357 -203751.4693 2882.4419 0.0000 0.0000 52117.8594 -109578.2644 299.5221 -161696.1237 -109218.7407 299.1932 52.7577 77.8468 760993.9648 2.8021 2.7431 PRESSURE: 2286800 230.233 -148.257 81.4253 -148.257 12.664 92.8372 81.4258 92.8372 23.4677 GPRESSURE: 2286800 326.12 -125.979 90.4567 -173.502 -48.6837 66.1717 70.7609 109.612 86.735 PRESSAVG: 2286800 25.484 -23.7288 6.50014 -23.7288 -7.54102 19.6585 6.50017 19.6585 -23.9339 GPRESSAVG: 2286800 23.8508 -23.8477 7.09237 -26.0575 -6.56675 20.1101 5.70512 18.9414 -23.331 TIMING: 2286800 CPU: 7300.6, 0.0031946/step Wall: 7300.6, 0.0031946/step, 2.40766 hours remaining, 232.851562 MB of memory in use. ENERGY: 2286800 4024.9345 20579.2293 14444.9016 253.5826 -203744.7490 2921.3785 0.0000 0.0000 52291.8566 -109228.8659 300.5220 -161520.7224 -108866.9487 299.2936 88.7881 121.3904 759745.3008 -1.9970 -2.0156 PRESSURE: 2287000 239.135 42.7955 -118.941 42.796 -8.02119 -174.458 -118.941 -174.458 -131.972 GPRESSURE: 2287000 214.763 53.4571 -179.36 82.9361 61.8206 -211.123 -186.477 -179.871 -89.5746 PRESSAVG: 2287000 67.4143 9.53718 60.1586 9.53715 -70.8916 41.8294 60.1587 41.8294 -13.9617 GPRESSAVG: 2287000 68.2165 12.7165 60.4458 8.10714 -71.679 41.4212 60.7399 44.3968 -14.0529 TIMING: 2287000 CPU: 7301.24, 0.00315869/step Wall: 7301.24, 0.00315869/step, 2.38042 hours remaining, 232.851562 MB of memory in use. ENERGY: 2287000 3978.4191 20464.4085 14444.6838 249.4996 -203186.4732 2672.1588 0.0000 0.0000 52213.9847 -109163.3188 300.0745 -161377.3035 -108807.9956 300.2520 33.0471 62.3364 759993.1988 -5.8130 -5.8384 PRESSURE: 2287200 410.842 -154.234 10.0954 -154.234 -73.4601 -44.7541 10.0962 -44.7541 127.414 GPRESSURE: 2287200 343.08 -121.823 -95.4103 -166.29 22.8781 -100.395 -66.6758 -17.994 190.089 PRESSAVG: 2287200 92.9627 47.0817 8.43041 47.0818 -72.9453 -37.1297 8.43048 -37.1297 21.7577 GPRESSAVG: 2287200 91.5653 45.9223 7.71539 46.953 -71.1866 -37.5662 5.50678 -39.7696 22.1431 TIMING: 2287200 CPU: 7301.87, 0.0031569/step Wall: 7301.87, 0.0031569/step, 2.3789 hours remaining, 232.851562 MB of memory in use. ENERGY: 2287200 4027.1817 20368.6067 14478.4111 250.1314 -203319.6569 2733.6158 0.0000 0.0000 52326.3244 -109135.3859 300.7201 -161461.7102 -108773.0319 299.2387 154.9318 185.3489 762131.9995 13.9250 14.1739 PRESSURE: 2287400 166.309 29.399 -132.822 29.3991 -43.8107 -73.3963 -132.823 -73.3962 156.385 GPRESSURE: 2287400 245.334 124.675 -75.8321 39.0023 -61.3321 -72.521 -61.1822 -180.8 171.929 PRESSAVG: 2287400 105.832 -63.504 -21.3866 -63.5041 -117.369 -54.1805 -21.3867 -54.1804 5.07407 GPRESSAVG: 2287400 107.755 -61.7326 -20.1077 -63.1271 -117.995 -53.6786 -19.1309 -53.372 3.66877 TIMING: 2287400 CPU: 7302.51, 0.00318576/step Wall: 7302.51, 0.00318576/step, 2.40047 hours remaining, 232.851562 MB of memory in use. ENERGY: 2287400 3985.5156 20417.0554 14460.0631 240.7769 -203374.8828 2819.5872 0.0000 0.0000 52178.2728 -109273.6119 299.8693 -161451.8847 -108911.2361 299.8885 92.9613 118.6436 759888.2445 -2.1542 -2.1905 PRESSURE: 2287600 -44.7913 -90.7492 102.761 -90.7498 -197.271 -49.1571 102.762 -49.1564 384.434 GPRESSURE: 2287600 14.628 -44.0723 62.4346 -119.313 -158.74 -123.716 60.1019 -34.7784 364.296 PRESSAVG: 2287600 60.191 -63.7743 18.9218 -63.7743 -90.8952 -37.0938 18.9218 -37.0938 0.138841 GPRESSAVG: 2287600 58.4103 -65.7464 18.4981 -62.7207 -91.1414 -36.8053 18.2943 -38.7545 1.78425 TIMING: 2287600 CPU: 7303.14, 0.00318075/step Wall: 7303.14, 0.00318075/step, 2.39652 hours remaining, 232.851562 MB of memory in use. ENERGY: 2287600 4007.1484 20633.3022 14445.0286 252.8433 -203263.3049 2526.6392 0.0000 0.0000 52179.0387 -109219.3046 299.8737 -161398.3433 -108865.9656 300.4556 47.4574 73.3948 761344.0116 -10.1885 -10.3156 PRESSURE: 2287800 -120.664 -97.9624 -29.6372 -97.9624 -201.977 -14.8119 -29.638 -14.8114 178.005 GPRESSURE: 2287800 -115.656 -99.6848 -73.2738 -67.1194 -39.8905 18.7641 84.2329 -44.0245 96.7423 PRESSAVG: 2287800 5.44329 -38.9869 -29.0935 -38.9869 -25.7969 -26.2736 -29.0935 -26.2735 6.79722 GPRESSAVG: 2287800 5.86356 -39.1196 -28.1302 -36.5188 -25.0042 -25.1468 -28.4217 -25.8347 5.79468 TIMING: 2287800 CPU: 7303.77, 0.00316121/step Wall: 7303.77, 0.00316121/step, 2.38162 hours remaining, 232.851562 MB of memory in use. ENERGY: 2287800 4013.3050 20319.3025 14442.1319 244.0556 -203075.3546 2440.2300 0.0000 0.0000 52056.1245 -109560.2052 299.1673 -161616.3297 -109188.9329 299.1392 -48.2120 -19.6013 761602.3289 -4.5188 -4.4487 PRESSURE: 2288000 246.212 195.993 108.834 195.993 -57.8088 -95.4978 108.833 -95.4979 -87.943 GPRESSURE: 2288000 336.29 101.643 182.157 13.6941 -50.0801 -69.6801 95.4877 28.9469 -94.5686 PRESSAVG: 2288000 39.9033 -8.87866 -11.169 -8.8787 -43.9388 -42.4402 -11.169 -42.4401 5.59807 GPRESSAVG: 2288000 40.9114 -8.74609 -12.7835 -12.5994 -44.6478 -43.4524 -11.0499 -40.9071 5.30527 TIMING: 2288000 CPU: 7304.41, 0.00317122/step Wall: 7304.41, 0.00317122/step, 2.38899 hours remaining, 232.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2288000 3980.9312 20471.5043 14572.8905 242.3989 -203737.0381 2817.4229 0.0000 0.0000 52166.1073 -109485.7829 299.7993 -161651.8903 -109125.2521 299.1002 33.4867 63.8805 762801.9630 0.5209 0.5230 PRESSURE: 2288200 36.3703 -225.38 288.939 -225.38 182.791 -84.9892 288.938 -84.9901 -215.027 GPRESSURE: 2288200 26.929 -113.615 307.689 -238.764 202.69 -65.4553 197.096 -77.713 -150.848 PRESSAVG: 2288200 79.9497 -49.9127 63.2179 -49.9127 -66.2767 -21.7185 63.2179 -21.7185 11.867 GPRESSAVG: 2288200 79.6401 -48.1512 62.2484 -49.2729 -66.3883 -22.7699 64.5372 -24.3871 12.2156 TIMING: 2288200 CPU: 7305.04, 0.00317551/step Wall: 7305.04, 0.00317551/step, 2.39204 hours remaining, 232.851562 MB of memory in use. ENERGY: 2288200 3929.3455 20472.4529 14546.9746 236.0367 -203489.3114 2836.9895 0.0000 0.0000 52220.5502 -109246.9620 300.1122 -161467.5121 -108873.2442 299.4590 1.3781 26.2568 761658.4830 8.5133 8.4891 LDB: ============= START OF LOAD BALANCING ============== 7317.46 LDB: ============== END OF LOAD BALANCING =============== 7317.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7317.47 LDB: ============= START OF LOAD BALANCING ============== 7317.78 LDB: Largest compute 7024 load 0.033999 is 17.4% of average load 0.195461 LDB: Average compute 0.004412 is 2.3% of average load 0.195461 LDB: TIME 7317.79 LOAD: AVG 0.195461 MAX 0.219366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 7317.79 LOAD: AVG 0.195461 MAX 0.219366 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: TIME 7317.79 LOAD: AVG 0.195461 MAX 0.216863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: ============== END OF LOAD BALANCING =============== 7317.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7317.79 PRESSURE: 2288400 114.078 91.4431 322.187 91.4434 -291.6 -419.077 322.187 -419.078 -382.523 GPRESSURE: 2288400 134.837 126.924 274.16 109.843 -237.304 -410.041 236.83 -241.714 -353.104 PRESSAVG: 2288400 36.2966 -20.5721 37.7793 -20.5721 -20.858 -47.5803 37.7793 -47.5804 12.4273 GPRESSAVG: 2288400 36.815 -21.4987 38.5326 -19.4476 -21.8235 -46.426 36.4443 -45.6414 12.7911 TIMING: 2288400 CPU: 7305.69, 0.00322931/step Wall: 7305.69, 0.00322931/step, 2.43239 hours remaining, 233.304688 MB of memory in use. ENERGY: 2288400 3991.4305 20445.0170 14573.9878 235.2845 -203288.5177 2510.8808 0.0000 0.0000 52298.2562 -109233.6609 300.5588 -161531.9170 -108853.4246 299.8866 -186.6816 -151.8570 761698.9311 9.2886 9.2609 PRESSURE: 2288600 7.80781 -47.4013 -52.4768 -47.4015 -86.3998 -12.4417 -52.4772 -12.4418 210.426 GPRESSURE: 2288600 61.6024 -39.9238 -73.8051 -53.6938 -45.9455 -30.6065 -180.703 -11.8029 220.592 PRESSAVG: 2288600 44.3848 -8.88888 36.2812 -8.88879 -64.3165 -50.3389 36.2812 -50.339 3.92343 GPRESSAVG: 2288600 43.5768 -11.1195 34.1796 -8.33941 -63.0322 -51.3074 37.2142 -48.3577 3.654 TIMING: 2288600 CPU: 7306.33, 0.00319685/step Wall: 7306.33, 0.00319685/step, 2.40776 hours remaining, 233.507812 MB of memory in use. ENERGY: 2288600 4022.3361 20421.7264 14480.5173 232.5084 -203070.4284 2659.7519 0.0000 0.0000 52052.7273 -109200.8610 299.1477 -161253.5883 -108834.6723 299.5568 43.9445 78.7496 762768.6741 -5.3361 -5.2672 PRESSURE: 2288800 -195.142 134.242 78.513 134.242 12.0918 190.422 78.5129 190.423 408.858 GPRESSURE: 2288800 -19.1642 53.9275 0.116604 170.132 -62.8182 174.827 167.756 79.8033 395.269 PRESSAVG: 2288800 47.3718 3.14615 2.19472 3.14616 -67.6604 -26.8548 2.19476 -26.8548 -8.5436 GPRESSAVG: 2288800 48.6868 4.85947 5.18009 3.5757 -67.9691 -27.0342 3.50464 -27.0485 -9.48121 TIMING: 2288800 CPU: 7306.96, 0.0031824/step Wall: 7306.96, 0.0031824/step, 2.3967 hours remaining, 233.507812 MB of memory in use. ENERGY: 2288800 3962.7762 20355.2711 14590.0173 246.4285 -202984.5939 2426.1239 0.0000 0.0000 52019.6656 -109384.3113 298.9577 -161403.9768 -109026.2248 299.2073 75.2694 104.4289 762898.2593 -9.6107 -9.5878 PRESSURE: 2289000 -271.739 -6.91577 -285.608 -6.91537 -404.321 70.7524 -285.608 70.7518 -157.461 GPRESSURE: 2289000 -300.38 19.6784 -157.641 -98.0735 -314.775 113.603 -156.514 70.6086 -141.352 PRESSAVG: 2289000 34.4635 2.5137 12.1849 2.51374 -94.694 2.72994 12.1849 2.7299 -17.4801 GPRESSAVG: 2289000 34.005 1.91514 11.452 2.68826 -95.188 2.39213 12.4849 1.14201 -16.2381 TIMING: 2289000 CPU: 7307.6, 0.00317666/step Wall: 7307.6, 0.00317666/step, 2.3922 hours remaining, 233.507812 MB of memory in use. ENERGY: 2289000 4019.0755 20303.5770 14467.1920 231.6224 -203381.1872 2613.7186 0.0000 0.0000 52339.9993 -109406.0024 300.7987 -161746.0017 -109046.4840 299.1100 -277.8404 -252.1686 761291.9109 -25.9036 -25.8070 PRESSURE: 2289200 3.96585 -83.0564 -27.1037 -83.0575 -194.362 157.124 -27.1031 157.125 -38.1274 GPRESSURE: 2289200 61.0168 73.2869 -70.2294 -131.891 -190.543 131.173 -56.222 69.7211 -17.2108 PRESSAVG: 2289200 41.4544 28.4723 -48.5985 28.4723 -101.661 -51.0965 -48.5986 -51.0965 -1.01295 GPRESSAVG: 2289200 41.9953 29.311 -48.377 27.8661 -102.892 -50.1669 -50.4564 -50.6142 -0.250026 TIMING: 2289200 CPU: 7308.23, 0.00317404/step Wall: 7308.23, 0.00317404/step, 2.39005 hours remaining, 233.507812 MB of memory in use. ENERGY: 2289200 3961.0962 20408.3920 14554.6436 234.1982 -203009.0185 2393.5700 0.0000 0.0000 52204.0256 -109253.0930 300.0173 -161457.1185 -108884.3673 299.5763 -76.1746 -48.9125 761778.4991 -20.4064 -20.3821 PRESSURE: 2289400 17.1683 -82.3512 -1.37834 -82.3508 -91.0675 -49.224 -1.37808 -49.2238 259.404 GPRESSURE: 2289400 -17.1729 -117.299 -27.46 -74.17 -43.2311 31.3338 -3.16026 -95.5474 335.311 PRESSAVG: 2289400 63.1179 19.6206 15.5463 19.6205 -66.635 -32.3209 15.5463 -32.3209 -0.354416 GPRESSAVG: 2289400 62.4843 19.0866 14.6284 19.0188 -65.7358 -32.2198 14.0613 -32.5982 -1.17394 TIMING: 2289400 CPU: 7308.87, 0.0031764/step Wall: 7308.87, 0.0031764/step, 2.39165 hours remaining, 233.507812 MB of memory in use. ENERGY: 2289400 4016.6768 20697.7519 14535.5142 268.8519 -203668.4094 2674.5131 0.0000 0.0000 52000.0851 -109475.0163 298.8452 -161475.1014 -109124.2124 299.4152 61.8350 91.6355 761026.0582 -1.2905 -1.4751 PRESSURE: 2289600 -219.555 -209.432 4.16811 -209.432 -236.745 -178.442 4.16829 -178.442 -297.692 GPRESSURE: 2289600 -128.367 -222.905 11.3034 -110.828 -242.259 -185.264 112.696 -34.1541 -305.478 PRESSAVG: 2289600 73.5296 -3.20619 -8.25863 -3.20622 -77.8732 -1.59496 -8.25861 -1.59499 -0.326102 GPRESSAVG: 2289600 73.5498 -3.55611 -6.71487 -3.02252 -77.8859 -0.391364 -7.53146 -1.35405 -0.390973 TIMING: 2289600 CPU: 7309.5, 0.0031465/step Wall: 7309.5, 0.0031465/step, 2.36897 hours remaining, 233.507812 MB of memory in use. ENERGY: 2289600 4008.4740 20501.7941 14552.0559 240.6563 -203256.2947 2396.0013 0.0000 0.0000 52021.2141 -109536.0989 298.9666 -161557.3130 -109178.7441 298.8159 -251.3307 -225.3677 763521.3503 -1.5566 -1.5757 PRESSURE: 2289800 466.365 70.2266 -41.8533 70.2261 44.8513 -200.489 -41.8531 -200.49 -332.607 GPRESSURE: 2289800 456.408 99.8044 -137.988 -24.0679 63.2295 -253.859 68.0746 -153.303 -246.793 PRESSAVG: 2289800 21.2791 5.10717 -37.4887 5.10718 6.04663 -9.14423 -37.4887 -9.14422 5.3882 GPRESSAVG: 2289800 21.9116 4.47118 -38.2082 6.78124 5.43188 -11.3516 -36.2713 -9.76806 5.63889 TIMING: 2289800 CPU: 7310.13, 0.00317146/step Wall: 7310.13, 0.00317146/step, 2.38758 hours remaining, 233.507812 MB of memory in use. ENERGY: 2289800 4043.2630 20329.0380 14509.7637 235.6782 -203557.8913 2710.1421 0.0000 0.0000 52235.4148 -109494.5915 300.1976 -161730.0063 -109135.4579 299.0664 59.5362 90.9482 760210.9278 10.9046 10.9941 PRESSURE: 2290000 99.3782 -128.824 25.1636 -128.824 186.299 -37.1342 25.1651 -37.1332 113.111 GPRESSURE: 2290000 222.127 -51.8585 144.863 -23.3913 124.778 38.8348 -18.0929 -76.6828 139.492 PRESSAVG: 2290000 -8.06995 20.5666 0.871152 20.5666 -14.6922 -42.9273 0.871203 -42.9273 0.335726 GPRESSAVG: 2290000 -7.55879 20.5619 -0.898413 20.5685 -14.2006 -42.3926 1.57273 -41.8278 -0.922761 TIMING: 2290000 CPU: 7310.77, 0.00316918/step Wall: 7310.77, 0.00316918/step, 2.38569 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2290000 4018.9900 20411.0965 14554.4338 245.4139 -203159.9256 2511.4456 0.0000 0.0000 51840.6805 -109577.8653 297.9291 -161418.5458 -109222.5298 298.8970 132.9296 162.1322 761808.1355 -7.4755 -7.5607 PRESSURE: 2290200 107.384 -171.793 125.452 -171.793 -419.369 206.941 125.451 206.941 -423.508 GPRESSURE: 2290200 134.571 -55.3218 238.825 -153.359 -353.223 171.12 83.6786 289.957 -411.65 PRESSAVG: 2290200 19.6847 5.12752 3.45617 5.12749 -37.1368 -30.1495 3.45616 -30.1495 4.09881 GPRESSAVG: 2290200 18.8191 5.47911 5.24467 4.64026 -38.2627 -28.6281 1.20057 -30.7592 6.32439 TIMING: 2290200 CPU: 7311.4, 0.00317076/step Wall: 7311.4, 0.00317076/step, 2.3867 hours remaining, 233.507812 MB of memory in use. ENERGY: 2290200 3994.9138 20310.2831 14566.0437 232.7467 -203353.3129 2446.9252 0.0000 0.0000 51939.1264 -109863.2740 298.4949 -161802.4004 -109505.2280 298.2269 -245.1644 -210.1007 761953.4539 -4.4511 -4.3731 PRESSURE: 2290400 69.6822 -106.012 -124.607 -106.011 289.074 -83.5198 -124.607 -83.5172 414.644 GPRESSURE: 2290400 167.475 -213.088 -82.3818 38.2919 315.532 -32.7516 -95.0318 -83.3649 385.385 PRESSAVG: 2290400 25.2574 -57.0853 30.1882 -57.0853 -27.7268 -48.6206 30.1881 -48.6206 -7.37632 GPRESSAVG: 2290400 23.8931 -57.8537 30.5159 -57.0086 -24.8065 -49.695 30.5198 -48.6304 -8.85898 TIMING: 2290400 CPU: 7312.04, 0.00318242/step Wall: 7312.04, 0.00318242/step, 2.3953 hours remaining, 233.507812 MB of memory in use. ENERGY: 2290400 3919.8949 20405.5421 14536.6716 228.5997 -203782.9942 2936.5444 0.0000 0.0000 51876.5331 -109879.2084 298.1351 -161755.7415 -109510.2625 297.6662 257.8001 289.4641 761287.9849 -3.2819 -3.2574 PRESSURE: 2290600 17.865 -27.046 -78.2575 -27.0461 360.955 236.533 -78.2564 236.534 209.215 GPRESSURE: 2290600 54.6546 -85.0742 -30.9435 54.7183 440.111 256.784 -139.457 361.52 164.492 PRESSAVG: 2290600 -3.84625 -45.4656 -45.141 -45.4657 -38.1362 -33.5285 -45.1409 -33.5284 -13.847 GPRESSAVG: 2290600 -4.54877 -44.7732 -46.1555 -46.0804 -38.4005 -33.4099 -44.8296 -32.2982 -12.7668 TIMING: 2290600 CPU: 7312.67, 0.00318013/step Wall: 7312.67, 0.00318012/step, 2.3934 hours remaining, 233.507812 MB of memory in use. ENERGY: 2290600 3983.1039 20433.1197 14592.9745 248.4091 -203914.1011 2955.8275 0.0000 0.0000 52030.8420 -109669.8243 299.0220 -161700.6663 -109314.2576 297.7903 196.0119 219.7528 762120.9372 -18.6098 -18.5720 PRESSURE: 2290800 -105.583 12.7369 -1.54198 12.7365 -176.87 -15.0031 -1.54227 -15.0041 6.96193 GPRESSURE: 2290800 -113.683 26.4649 -10.6141 159.294 16.1271 -22.8082 -74.071 -121.927 -91.4802 PRESSAVG: 2290800 10.5324 -55.1351 -22.2164 -55.1352 -37.9352 21.7493 -22.2164 21.7493 -2.44284 GPRESSAVG: 2290800 12.2414 -57.2984 -21.787 -52.7211 -38.2949 22.8943 -20.9164 21.0368 -3.19986 TIMING: 2290800 CPU: 7313.31, 0.0031862/step Wall: 7313.31, 0.0031862/step, 2.39779 hours remaining, 233.507812 MB of memory in use. ENERGY: 2290800 4033.6065 20357.1045 14504.4858 244.5936 -203104.9294 2664.6191 0.0000 0.0000 51864.1208 -109436.3991 298.0638 -161300.5199 -109074.4832 298.7006 -91.8302 -63.0119 762302.0293 -9.9485 -9.7511 PRESSURE: 2291000 182.993 -97.7597 -196.089 -97.7597 -36.8762 -30.9727 -196.09 -30.9726 -16.6961 GPRESSURE: 2291000 173.235 -4.97732 -90.1954 -25.1518 -19.4985 -37.8912 -228.748 -88.2048 53.6197 PRESSAVG: 2291000 -20.9065 -45.8303 -30.3603 -45.8302 -7.65402 -39.4481 -30.3603 -39.448 14.9009 GPRESSAVG: 2291000 -20.6173 -44.0178 -30.5383 -46.815 -8.828 -39.3098 -31.2278 -42.5777 16.1473 TIMING: 2291000 CPU: 7313.95, 0.00319286/step Wall: 7313.95, 0.00319285/step, 2.40262 hours remaining, 233.507812 MB of memory in use. ENERGY: 2291000 3965.7781 20525.4601 14485.0592 245.3854 -203488.2193 2572.0875 0.0000 0.0000 52177.4064 -109517.0428 299.8643 -161694.4491 -109163.6395 298.4350 43.1402 69.1187 761132.2994 -4.5532 -4.4326 PRESSURE: 2291200 -181.437 -168.451 -4.96757 -168.45 -53.2248 248.814 -4.96716 248.814 81.6103 GPRESSURE: 2291200 -78.2126 -152.539 -33.441 -158.162 4.49437 310.652 -76.2436 188.523 7.72356 PRESSAVG: 2291200 2.02348 -26.2505 -44.391 -26.2505 28.8005 -32.7777 -44.391 -32.7777 -18.0847 GPRESSAVG: 2291200 1.20447 -24.2362 -45.3214 -27.1332 31.0253 -35.1065 -46.4614 -30.9597 -19.8886 TIMING: 2291200 CPU: 7314.59, 0.00317771/step Wall: 7314.59, 0.00317771/step, 2.39105 hours remaining, 233.507812 MB of memory in use. ENERGY: 2291200 3976.7050 20460.7950 14491.7791 236.4468 -203277.3805 2688.9089 0.0000 0.0000 51956.5903 -109466.1553 298.5952 -161422.7456 -109091.1378 299.0474 -51.0172 -21.9982 762578.0061 4.2464 4.1137 PRESSURE: 2291400 137.627 -4.88855 247.473 -4.88866 -186.448 -52.3533 247.473 -52.3542 213.487 GPRESSURE: 2291400 84.2877 -32.3555 202.659 115.001 -56.4267 -56.0948 260.195 -10.9211 212.666 PRESSAVG: 2291400 45.7816 -5.89049 -4.24107 -5.89052 -15.2828 -27.3433 -4.2411 -27.3433 5.98726 GPRESSAVG: 2291400 46.5593 -7.49918 -4.5507 -4.91854 -16.205 -25.8949 -1.96001 -26.7578 6.46838 TIMING: 2291400 CPU: 7315.22, 0.00316925/step Wall: 7315.22, 0.00316925/step, 2.38451 hours remaining, 233.507812 MB of memory in use. ENERGY: 2291400 3991.7728 20553.2021 14464.3410 246.9429 -203002.5203 2404.0675 0.0000 0.0000 51754.5781 -109587.6158 297.4343 -161342.1940 -109235.1838 299.0724 54.8886 80.1756 762152.6519 12.1620 12.2742 PRESSURE: 2291600 0.0190027 43.0615 -95.6508 43.062 56.4605 -184.847 -95.6511 -184.847 43.7209 GPRESSURE: 2291600 39.5301 1.63975 -181.771 -13.6276 116.322 -92.6112 -120.029 -88.3694 42.7377 PRESSAVG: 2291600 22.799 -14.4766 31.836 -14.4767 -38.3055 -3.01452 31.836 -3.01456 14.614 GPRESSAVG: 2291600 22.7953 -12.9706 32.2799 -15.2998 -36.6321 -1.99187 31.5674 -2.23985 13.0589 TIMING: 2291600 CPU: 7315.86, 0.00319787/step Wall: 7315.86, 0.00319787/step, 2.40586 hours remaining, 233.507812 MB of memory in use. ENERGY: 2291600 3975.3298 20516.5692 14469.0675 217.0382 -203318.6354 2381.5982 0.0000 0.0000 52116.1909 -109642.8415 299.5125 -161759.0324 -109279.3810 298.9658 33.4002 66.1968 760454.0109 -0.2975 -0.2593 PRESSURE: 2291800 142.261 -53.3974 111.106 -53.3981 25.9278 -118.86 111.106 -118.861 43.7463 GPRESSURE: 2291800 126.897 -118.591 171.293 182.492 161.817 -84.0353 161.827 -118.801 -1.30255 PRESSAVG: 2291800 -8.20409 -25.801 2.79287 -25.801 6.18128 -19.348 2.79288 -19.348 -34.7317 GPRESSAVG: 2291800 -9.11121 -27.7011 2.88144 -23.5327 4.56369 -19.8982 2.80442 -19.777 -32.7175 TIMING: 2291800 CPU: 7316.49, 0.00317228/step Wall: 7316.49, 0.00317228/step, 2.38644 hours remaining, 233.507812 MB of memory in use. ENERGY: 2291800 3993.9996 20289.5918 14512.0519 229.9210 -203429.5214 2862.6061 0.0000 0.0000 51912.0242 -109629.3268 298.3391 -161541.3510 -109260.3208 298.8659 70.6450 95.8036 761248.0899 -12.2515 -12.4217 PRESSURE: 2292000 -398.684 -56.0518 9.17302 -56.0519 -503.749 -73.9034 9.17377 -73.9021 304.637 GPRESSURE: 2292000 -387.769 -104.626 166.868 -80.1207 -361.956 45.5148 -53.4944 -99.268 236.084 PRESSAVG: 2292000 6.57166 -72.6974 -13.2651 -72.6974 -41.0576 -5.73455 -13.2652 -5.73451 18.1881 GPRESSAVG: 2292000 7.0984 -73.252 -12.8474 -76.0223 -40.5103 -4.93262 -12.8494 -7.42054 17.4778 TIMING: 2292000 CPU: 7317.13, 0.00317937/step Wall: 7317.13, 0.00317937/step, 2.3916 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2292000 4014.5849 20366.2524 14517.7540 270.3254 -203058.8558 2418.1700 0.0000 0.0000 51833.2734 -109638.4958 297.8865 -161471.7691 -109283.6130 298.7978 -199.2657 -171.2136 762268.2340 -5.4326 -5.3114 PRESSURE: 2292200 -150.582 -28.0153 2.53887 -28.0148 97.7558 160.74 2.53852 160.741 -420.545 GPRESSURE: 2292200 -105.923 47.5632 -26.3947 -36.1754 109.315 70.04 -16.4244 142.497 -385.687 PRESSAVG: 2292200 19.0121 -30.3738 -59.9126 -30.3738 -28.8246 -61.7652 -59.9126 -61.7653 14.7659 GPRESSAVG: 2292200 19.1698 -29.8654 -57.5147 -28.2194 -29.0727 -61.2877 -58.823 -61.1312 14.7162 TIMING: 2292200 CPU: 7317.76, 0.00317766/step Wall: 7317.76, 0.00317766/step, 2.39013 hours remaining, 233.507812 MB of memory in use. ENERGY: 2292200 4008.8787 20415.4624 14472.4753 265.2120 -203785.5365 2654.0193 0.0000 0.0000 52180.1088 -109789.3799 299.8798 -161969.4887 -109429.4917 299.1450 -157.7905 -127.4316 759189.1587 1.6511 1.6044 LDB: ============= START OF LOAD BALANCING ============== 7330.19 LDB: ============== END OF LOAD BALANCING =============== 7330.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7330.2 LDB: ============= START OF LOAD BALANCING ============== 7330.52 LDB: Largest compute 7033 load 0.036867 is 18.9% of average load 0.195480 LDB: Average compute 0.004395 is 2.2% of average load 0.195480 LDB: TIME 7330.52 LOAD: AVG 0.19548 MAX 0.21451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 7330.52 LOAD: AVG 0.19548 MAX 0.21451 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 7330.52 LOAD: AVG 0.19548 MAX 0.21451 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 7330.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7330.53 PRESSURE: 2292400 -19.695 -203.874 46.2726 -203.874 -405.804 -243.66 46.2717 -243.658 165.292 GPRESSURE: 2292400 -29.3904 -209.88 28.1819 -126.114 -325.119 -241.289 -40.9807 -163.364 193.542 PRESSAVG: 2292400 66.4717 -40.0727 9.46537 -40.0727 -29.5333 -56.7673 9.46538 -56.7673 4.79194 GPRESSAVG: 2292400 66.3256 -39.6839 6.92382 -41.212 -29.2216 -58.9618 7.57881 -56.932 4.90078 TIMING: 2292400 CPU: 7318.42, 0.00329569/step Wall: 7318.42, 0.00329569/step, 2.47873 hours remaining, 235.101562 MB of memory in use. ENERGY: 2292400 4007.2023 20423.6455 14540.6627 246.0484 -203455.0908 2569.2917 0.0000 0.0000 52177.2929 -109490.9472 299.8636 -161668.2401 -109125.7663 299.5418 -86.7356 -53.6557 760901.3364 13.9101 14.0016 PRESSURE: 2292600 302.278 -170.525 -102.583 -170.524 54.7044 -115.794 -102.583 -115.792 -28.5691 GPRESSURE: 2292600 283.918 -115.915 -53.5988 -140.204 33.9231 -128.474 -34.5589 -115.015 70.6045 PRESSAVG: 2292600 17.5176 -115.418 -16.6547 -115.418 -25.3096 -45.0443 -16.6547 -45.0443 -29.1237 GPRESSAVG: 2292600 17.9922 -115.097 -16.4989 -115.338 -25.1898 -45.6174 -15.3268 -43.547 -30.0362 TIMING: 2292600 CPU: 7319.06, 0.00319685/step Wall: 7319.06, 0.00319685/step, 2.40421 hours remaining, 235.171875 MB of memory in use. ENERGY: 2292600 3980.7027 20432.6576 14645.1664 263.2204 -203757.5249 2914.0518 0.0000 0.0000 52056.5509 -109465.1750 299.1697 -161521.7260 -109109.0612 299.5589 109.4712 129.4819 761784.3095 -12.3052 -12.4113 PRESSURE: 2292800 57.2264 -136.356 165.226 -136.356 -191.694 -93.4521 165.227 -93.4525 -137.893 GPRESSURE: 2292800 124.212 -71.4268 72.1513 -125.25 -218.214 -82.875 215.753 26.7644 -112.176 PRESSAVG: 2292800 12.2176 -76.7342 -28.6744 -76.7341 4.38257 30.8456 -28.6744 30.8456 13.5963 GPRESSAVG: 2292800 11.5624 -79.6333 -27.7936 -76.516 4.51851 29.1694 -30.0184 29.5022 14.7783 TIMING: 2292800 CPU: 7319.7, 0.00317168/step Wall: 7319.7, 0.00317168/step, 2.3851 hours remaining, 235.171875 MB of memory in use. ENERGY: 2292800 3960.8353 20564.6121 14533.7377 226.0510 -203005.6189 2278.7560 0.0000 0.0000 52263.7611 -109177.8658 300.3606 -161441.6269 -108829.5574 299.7205 -90.7871 -68.7262 762048.9684 10.0655 10.2864 PRESSURE: 2293000 -62.9827 -79.9209 25.7759 -79.9212 -100.163 22.0623 25.7751 22.0627 -424.457 GPRESSURE: 2293000 18.9366 -1.76001 94.0587 -35.4892 -51.5224 -3.00428 33.9796 142.893 -470.553 PRESSAVG: 2293000 13.1673 10.4009 -49.9427 10.4009 -26.8839 -35.0595 -49.9427 -35.0595 -16.7489 GPRESSAVG: 2293000 13.6942 12.6324 -49.8 8.76959 -27.5203 -33.5618 -51.5549 -35.1273 -16.8518 TIMING: 2293000 CPU: 7320.33, 0.00317997/step Wall: 7320.33, 0.00317997/step, 2.39116 hours remaining, 235.171875 MB of memory in use. ENERGY: 2293000 4109.1383 20498.9140 14562.0584 230.1514 -203433.7498 2514.1871 0.0000 0.0000 52178.8072 -109340.4932 299.8723 -161519.3005 -108980.6464 299.3673 -195.8675 -167.7128 761719.9809 -10.1552 -10.2260 PRESSURE: 2293200 35.6974 -142.065 -286.443 -142.066 -185.736 120.032 -286.444 120.032 232.63 GPRESSURE: 2293200 136.938 -68.1221 -200.962 -120.479 -208.463 96.1414 -262.651 38.6958 233.846 PRESSAVG: 2293200 19.2466 -50.6919 7.78112 -50.6918 -8.41915 32.8609 7.78108 32.8609 -6.61297 GPRESSAVG: 2293200 19.2404 -49.1716 8.30318 -50.7986 -9.54988 32.2485 9.42912 31.8925 -5.93651 TIMING: 2293200 CPU: 7320.97, 0.00318/step Wall: 7320.97, 0.00318/step, 2.39101 hours remaining, 235.171875 MB of memory in use. ENERGY: 2293200 4031.7435 20433.6287 14595.1074 246.4445 -203183.9050 2644.9019 0.0000 0.0000 52124.8826 -109107.1964 299.5624 -161232.0790 -108756.8718 299.9276 27.5306 54.1070 762087.7748 1.4048 1.2514 PRESSURE: 2293400 106.469 -186.272 121.87 -186.272 -45.76 143.152 121.87 143.152 212.667 GPRESSURE: 2293400 240.96 -200.777 98.726 -179.423 -97.2654 166.021 -23.8792 86.518 220.476 PRESSAVG: 2293400 15.0638 -10.1747 -44.4675 -10.1746 -24.15 0.592963 -44.4676 0.592843 6.54656 GPRESSAVG: 2293400 15.0829 -8.82371 -45.4655 -9.7844 -22.5137 2.91606 -45.2049 -1.38897 5.53071 TIMING: 2293400 CPU: 7321.6, 0.00316604/step Wall: 7321.6, 0.00316604/step, 2.38034 hours remaining, 235.171875 MB of memory in use. ENERGY: 2293400 3974.2967 20253.2038 14554.6181 246.8765 -203316.4908 2811.6807 0.0000 0.0000 52060.3152 -109415.4998 299.1913 -161475.8150 -109054.2345 299.1419 91.1254 121.3902 761774.6499 -0.8465 -0.6334 PRESSURE: 2293600 26.1976 331.645 -97.7069 331.645 22.0032 -90.6987 -97.7056 -90.6997 190.212 GPRESSURE: 2293600 33.246 87.244 -111.332 303.607 107.68 -163.254 -37.6473 -85.5218 192.075 PRESSAVG: 2293600 52.1951 -15.4959 11.3273 -15.4959 -33.0812 3.97888 11.3273 3.97878 3.05425 GPRESSAVG: 2293600 52.3658 -17.9297 10.7275 -13.589 -34.0505 3.37932 12.039 6.78744 4.21426 TIMING: 2293600 CPU: 7322.24, 0.00316555/step Wall: 7322.24, 0.00316556/step, 2.37979 hours remaining, 235.171875 MB of memory in use. ENERGY: 2293600 4007.3618 20185.9112 14481.1531 254.1429 -203178.4849 2434.7987 0.0000 0.0000 52235.9360 -109579.1812 300.2006 -161815.1172 -109222.4954 298.7700 79.4708 111.0004 760657.1235 7.3894 7.5099 PRESSURE: 2293800 114.437 -87.4204 -22.8026 -87.4206 -190.334 -236.78 -22.8023 -236.78 -83.1078 GPRESSURE: 2293800 94.0841 -122.951 -51.0172 -68.9006 -109.46 -216.68 -65.8822 -165.7 -64.4803 PRESSAVG: 2293800 23.0705 -49.6653 -0.648425 -49.6654 -30.6753 5.20443 -0.648453 5.20438 14.7587 GPRESSAVG: 2293800 23.2886 -48.8615 0.569285 -49.5294 -30.8722 3.25623 -0.878689 5.08242 13.9628 TIMING: 2293800 CPU: 7322.87, 0.00318213/step Wall: 7322.87, 0.00318213/step, 2.39208 hours remaining, 235.171875 MB of memory in use. ENERGY: 2293800 3958.5054 20380.5180 14525.1591 240.4767 -203504.2992 2565.7215 0.0000 0.0000 52182.0021 -109651.9165 299.8907 -161833.9186 -109286.0555 298.9443 -53.0017 -26.6188 761449.4777 2.3846 2.1264 PRESSURE: 2294000 -256.09 -28.4315 -219.257 -28.4314 240.679 119.375 -219.257 119.374 -433.918 GPRESSURE: 2294000 -141.215 -37.7446 -171.571 38.7487 122.871 63.817 -249.978 6.17506 -349.217 PRESSAVG: 2294000 2.00934 -37.567 -28.2882 -37.567 -12.5251 11.4071 -28.2882 11.4072 -23.6135 GPRESSAVG: 2294000 1.34124 -35.7918 -28.8691 -38.9978 -12.7731 11.6981 -28.1165 11.9102 -22.729 TIMING: 2294000 CPU: 7323.51, 0.00316371/step Wall: 7323.51, 0.00316371/step, 2.37805 hours remaining, 235.171875 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: 2294000 4077.5213 20552.0691 14557.5817 236.8817 -203090.5629 2532.8571 0.0000 0.0000 51777.3937 -109356.2582 297.5654 -161133.6519 -109005.5880 298.7908 -149.7763 -122.5203 761089.3759 -11.3764 -11.3870 PRESSURE: 2294200 -426.719 36.3808 245.999 36.3807 -222.996 89.1235 245.999 89.1239 13.2965 GPRESSURE: 2294200 -357.033 4.73956 238.265 -15.9317 -190.385 10.7497 253.861 274.815 -16.3427 PRESSAVG: 2294200 -74.8786 -28.0569 -26.5607 -28.0569 72.4732 21.4311 -26.5607 21.4311 14.5052 GPRESSAVG: 2294200 -73.4701 -30.3964 -27.4902 -27.5425 72.3171 21.5951 -28.0558 20.8727 13.0222 TIMING: 2294200 CPU: 7324.14, 0.00316851/step Wall: 7324.14, 0.00316851/step, 2.38149 hours remaining, 235.171875 MB of memory in use. ENERGY: 2294200 4033.6542 20439.8250 14498.7740 217.8414 -203046.0021 2296.8021 0.0000 0.0000 52002.3327 -109556.7727 298.8581 -161559.1054 -109184.6581 299.4769 -212.1397 -187.9204 763567.7200 4.0333 3.9564 PRESSURE: 2294400 -276.077 -80.9019 -175.646 -80.9011 -44.5298 111.255 -175.646 111.255 -242.85 GPRESSURE: 2294400 -262.744 -31.9903 -75.7175 -121.939 -41.1409 76.8915 -50.4073 254.902 -160.516 PRESSAVG: 2294400 -23.7257 -45.3129 15.8246 -45.3129 -8.49629 21.0212 15.8246 21.0212 9.69736 GPRESSAVG: 2294400 -24.6907 -43.2146 15.7567 -47.2629 -9.30093 21.5789 17.4873 20.9437 11.5083 TIMING: 2294400 CPU: 7324.77, 0.00317575/step Wall: 7324.77, 0.00317575/step, 2.38675 hours remaining, 235.171875 MB of memory in use. ENERGY: 2294400 4000.1358 20430.1636 14563.0199 272.4492 -203483.8493 2534.1671 0.0000 0.0000 52254.8379 -109429.0758 300.3093 -161683.9137 -109080.7779 298.9808 -187.8189 -154.8003 759146.5041 -7.5082 -7.4945 PRESSURE: 2294600 -89.3104 -179.697 164.354 -179.696 -105.612 -216.206 164.354 -216.206 223.464 GPRESSURE: 2294600 -64.4436 -143.865 125.905 -52.9753 -43.5996 -41.7798 258.203 -327.453 238.826 PRESSAVG: 2294600 16.518 -67.1179 -45.5343 -67.1179 10.0187 -2.66946 -45.5344 -2.6694 12.5117 GPRESSAVG: 2294600 16.077 -69.3707 -45.5536 -65.6771 11.3396 -1.25959 -43.7469 -2.14905 11.7237 TIMING: 2294600 CPU: 7325.41, 0.00318613/step Wall: 7325.41, 0.00318613/step, 2.39438 hours remaining, 235.171875 MB of memory in use. ENERGY: 2294600 4013.2088 20436.0830 14591.4972 235.6855 -203190.1130 2436.2738 0.0000 0.0000 51899.5531 -109577.8116 298.2674 -161477.3648 -109218.5627 299.4821 9.5138 43.5942 760483.5645 13.0161 13.0468 PRESSURE: 2294800 3.26303 -145.562 86.2844 -145.561 -98.2417 -124.67 86.2837 -124.67 549.456 GPRESSURE: 2294800 78.7633 -58.4199 -16.9043 -159.794 -47.9579 -188.359 21.76 -38.6986 495.074 PRESSAVG: 2294800 22.7734 -44.9093 -11.7005 -44.9093 -45.3391 9.01144 -11.7004 9.01151 15.525 GPRESSAVG: 2294800 23.6662 -44.3819 -11.3598 -43.0153 -46.3452 9.7186 -12.4038 8.82336 15.9932 TIMING: 2294800 CPU: 7326.05, 0.00317723/step Wall: 7326.05, 0.00317723/step, 2.38751 hours remaining, 235.171875 MB of memory in use. ENERGY: 2294800 4011.2750 20437.8424 14585.2215 239.1780 -203448.2880 2486.2446 0.0000 0.0000 52042.5941 -109645.9325 299.0895 -161688.5265 -109284.7891 298.7997 151.4923 175.2931 760470.3760 -2.3469 -2.2286 PRESSURE: 2295000 28.4892 -212.061 -68.5481 -212.06 -57.1519 172.456 -68.5481 172.457 -8.33113 GPRESSURE: 2295000 46.0358 -237.33 -108.985 -159.269 29.0647 163.56 -35.1528 54.5154 -15.3895 PRESSAVG: 2295000 -6.12033 -33.7554 20.4589 -33.7553 -0.524511 -17.063 20.4589 -17.0629 -8.18348 GPRESSAVG: 2295000 -5.79165 -34.2743 21.8751 -36.0175 0.193375 -17.8379 18.5884 -15.9806 -9.01966 TIMING: 2295000 CPU: 7326.68, 0.0031813/step Wall: 7326.68, 0.0031813/step, 2.39039 hours remaining, 235.171875 MB of memory in use. ENERGY: 2295000 4002.4524 20539.5386 14542.2746 243.3554 -203236.8438 2554.3940 0.0000 0.0000 52007.2447 -109347.5840 298.8864 -161354.8287 -108998.8913 299.4241 -12.3313 19.9037 762101.6308 -4.9428 -4.8726 PRESSURE: 2295200 -71.3817 -112.414 -150.677 -112.414 -122.716 17.4545 -150.676 17.4548 -99.4552 GPRESSURE: 2295200 2.39264 -196.991 -15.7131 -48.6896 -160.621 -15.601 -77.9213 -94.9649 -64.1465 PRESSAVG: 2295200 28.1626 -69.1274 -14.6464 -69.1274 -0.0999894 -56.9372 -14.6463 -56.9372 6.08646 GPRESSAVG: 2295200 26.7195 -69.9323 -15.6746 -68.2776 0.00551116 -56.7104 -13.3422 -60.6604 6.97152 TIMING: 2295200 CPU: 7327.32, 0.00319136/step Wall: 7327.32, 0.00319136/step, 2.39778 hours remaining, 235.171875 MB of memory in use. ENERGY: 2295200 3956.2397 20481.1307 14574.4346 229.7659 -203370.1352 2523.1716 0.0000 0.0000 52008.3004 -109597.0924 298.8924 -161605.3928 -109228.9148 299.1383 -97.8509 -74.1250 761944.6439 11.3830 11.2322 PRESSURE: 2295400 -128.179 -80.98 -97.2271 -80.9798 45.024 113.847 -97.2268 113.846 373.284 GPRESSURE: 2295400 -52.2891 -102.662 -161.016 -64.0267 62.2698 22.5103 -46.9903 258.371 366.594 PRESSAVG: 2295400 -36.325 -56.692 -16.5724 -56.692 -1.90968 -17.8039 -16.5724 -17.8038 1.72136 GPRESSAVG: 2295400 -35.7312 -55.0003 -15.7528 -56.0079 -2.19671 -19.2071 -17.0792 -17.191 1.31193 TIMING: 2295400 CPU: 7327.96, 0.00320987/step Wall: 7327.96, 0.00320987/step, 2.41151 hours remaining, 235.429688 MB of memory in use. ENERGY: 2295400 3942.1952 20431.8803 14536.6509 253.6234 -203095.4890 2421.7047 0.0000 0.0000 51918.6087 -109590.8258 298.3770 -161509.4345 -109221.3321 298.5671 96.7097 125.5248 761403.4272 -12.1711 -12.2053 PRESSURE: 2295600 -431.567 -94.6268 -133.074 -94.6264 -210.012 31.7981 -133.075 31.7976 -88.0261 GPRESSURE: 2295600 -363.419 -85.6248 -180.948 -203.734 -237.908 54.5657 -120.301 10.3195 -49.1364 PRESSAVG: 2295600 -36.5871 -67.745 -11.7099 -67.7449 27.2267 -2.83803 -11.7098 -2.83808 -5.45587 GPRESSAVG: 2295600 -37.3645 -69.5506 -12.3057 -68.7377 27.5304 -1.14157 -12.6636 -2.29077 -4.56614 TIMING: 2295600 CPU: 7328.6, 0.00318793/step Wall: 7328.6, 0.00318793/step, 2.39485 hours remaining, 235.429688 MB of memory in use. ENERGY: 2295600 3946.8073 20513.5218 14502.3755 236.9394 -202985.8605 2342.2061 0.0000 0.0000 51964.6571 -109479.3533 298.6416 -161444.0104 -109107.7785 299.0053 -243.2014 -216.8211 760867.0100 -4.9388 -4.8001 PRESSURE: 2295800 39.6105 64.8438 183.355 64.8432 139.906 -255.196 183.356 -255.197 -497.915 GPRESSURE: 2295800 167.41 -55.0546 236.488 55.8241 90.4449 -187.63 24.6146 -207.66 -477.088 PRESSAVG: 2295800 -19.3872 -38.3345 14.1945 -38.3345 20.7146 -17.9115 14.1944 -17.9114 0.594485 GPRESSAVG: 2295800 -17.9339 -36.7185 13.1489 -38.3441 19.7169 -17.9231 17.2159 -18.2044 -0.0982358 TIMING: 2295800 CPU: 7329.24, 0.00318492/step Wall: 7329.24, 0.00318492/step, 2.39241 hours remaining, 235.429688 MB of memory in use. ENERGY: 2295800 3978.8896 20304.2527 14466.4454 247.6706 -203014.4071 2229.0420 0.0000 0.0000 52096.0722 -109692.0346 299.3968 -161788.1068 -109310.7610 298.7741 -106.1328 -73.0778 761155.7092 0.6406 0.5616 PRESSURE: 2296000 106.634 -224.893 -158.655 -224.893 25.8763 -48.6416 -158.656 -48.6414 208.698 GPRESSURE: 2296000 112.899 -149.182 -95.8735 -143.435 37.8023 -23.2796 -142.121 52.1118 255.845 PRESSAVG: 2296000 0.376529 -34.6588 34.0704 -34.6587 -1.91315 -53.9336 34.0704 -53.9336 31.0813 GPRESSAVG: 2296000 0.185839 -36.5299 34.8473 -34.4329 -1.4852 -55.7408 31.4681 -52.4654 30.8118 TIMING: 2296000 CPU: 7329.87, 0.00318327/step Wall: 7329.87, 0.00318327/step, 2.39099 hours remaining, 235.429688 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: 2296000 3993.0433 20472.1478 14502.1473 247.9416 -203324.1771 2668.7227 0.0000 0.0000 51989.3386 -109450.8358 298.7834 -161440.1744 -109080.7075 298.6143 113.7363 135.5157 760884.7935 9.8482 9.8375 PRESSURE: 2296200 -206.568 -38.8799 -33.3163 -38.8809 -38.6451 189.578 -33.3164 189.578 -124.427 GPRESSURE: 2296200 -146.831 -203.572 -15.6311 32.0093 62.4028 174.282 16.3104 185.398 -186.976 PRESSAVG: 2296200 4.60687 -26.379 24.2528 -26.3791 8.30921 27.9889 24.2527 27.9889 12.5647 GPRESSAVG: 2296200 4.25935 -25.8357 23.9518 -25.1831 9.91172 28.6564 27.4154 28.6444 11.2976 TIMING: 2296200 CPU: 7330.51, 0.00319806/step Wall: 7330.51, 0.00319806/step, 2.40192 hours remaining, 235.429688 MB of memory in use. ENERGY: 2296200 3978.3454 20617.0893 14508.7362 241.4250 -203379.9300 2502.0314 0.0000 0.0000 52039.2692 -109493.0335 299.0704 -161532.3026 -109137.7203 299.0245 -123.2133 -90.4680 761731.1631 8.4936 8.4896 LDB: ============= START OF LOAD BALANCING ============== 7342.94 LDB: ============== END OF LOAD BALANCING =============== 7342.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7342.94 LDB: ============= START OF LOAD BALANCING ============== 7343.26 LDB: Largest compute 7025 load 0.035465 is 18.1% of average load 0.195412 LDB: Average compute 0.004415 is 2.3% of average load 0.195412 LDB: TIME 7343.26 LOAD: AVG 0.195412 MAX 0.21483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 7343.26 LOAD: AVG 0.195412 MAX 0.21483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: TIME 7343.26 LOAD: AVG 0.195412 MAX 0.21483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: ============== END OF LOAD BALANCING =============== 7343.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7343.27 PRESSURE: 2296400 472.722 -38.6062 -36.9572 -38.6059 390.898 -93.5888 -36.9577 -93.5894 319.025 GPRESSURE: 2296400 571.941 59.6491 -23.6106 -142.651 407.229 -98.3146 -75.2445 -105.318 304.184 PRESSAVG: 2296400 -0.554687 -26.2401 -17.7638 -26.2401 -6.30117 19.6404 -17.7638 19.6403 15.5386 GPRESSAVG: 2296400 -0.418118 -27.1532 -17.2764 -27.8332 -7.56276 20.4584 -20.3863 16.8927 16.4935 TIMING: 2296400 CPU: 7331.17, 0.00326359/step Wall: 7331.17, 0.00326359/step, 2.45096 hours remaining, 234.324219 MB of memory in use. ENERGY: 2296400 3960.2578 20466.0006 14541.4869 245.6948 -203518.2052 2821.1159 0.0000 0.0000 52328.5746 -109155.0747 300.7330 -161483.6492 -108796.6600 299.4220 394.2154 427.7846 759776.2778 2.8943 2.8375 PRESSURE: 2296600 -117.528 71.1744 -94.8653 71.173 243.789 -155.67 -94.8651 -155.67 -185.306 GPRESSURE: 2296600 -129.226 126.496 -163.1 194.232 274.147 -114.233 -119.396 -161.35 -132.787 PRESSAVG: 2296600 -2.05366 -17.0967 -45.4638 -17.0967 3.3633 -31.6507 -45.4638 -31.6508 18.0114 GPRESSAVG: 2296600 -3.3978 -16.0622 -46.1297 -18.1087 4.2068 -32.3286 -46.5542 -31.1464 17.8599 TIMING: 2296600 CPU: 7331.81, 0.00320948/step Wall: 7331.81, 0.00320948/step, 2.41014 hours remaining, 234.449219 MB of memory in use. ENERGY: 2296600 3991.9084 20559.5420 14487.5577 240.5855 -203209.3514 2381.1957 0.0000 0.0000 52198.9694 -109349.5925 299.9882 -161548.5619 -108985.0413 299.6768 -19.6815 4.0447 761704.8940 6.4404 6.2230 PRESSURE: 2296800 -216.099 -13.3657 -222.839 -13.3661 185.629 128.726 -222.839 128.726 45.7753 GPRESSURE: 2296800 -158.115 53.9284 -183.079 105.147 272.487 103.468 -239.293 60.1536 2.54397 PRESSAVG: 2296800 13.7963 -29.4369 -5.46778 -29.4369 -40.54 2.32919 -5.46782 2.32916 -2.91999 GPRESSAVG: 2296800 13.8554 -28.9773 -4.9239 -27.1419 -41.4687 1.61833 -3.73272 2.43467 -2.29091 TIMING: 2296800 CPU: 7332.45, 0.00318657/step Wall: 7332.45, 0.00318657/step, 2.39276 hours remaining, 234.449219 MB of memory in use. ENERGY: 2296800 4046.5665 20453.0266 14463.8449 244.0952 -203628.0259 3029.2278 0.0000 0.0000 52002.0708 -109389.1941 298.8566 -161391.2648 -109037.6426 299.2725 5.1018 38.9722 760470.8056 -9.8879 -9.9680 PRESSURE: 2297000 118.771 -125.481 -69.2763 -125.481 131.807 17.2042 -69.2757 17.2047 67.1836 GPRESSURE: 2297000 154.213 -151.808 -135.074 -207.556 164.119 22.3918 50.9165 30.3952 85.4548 PRESSAVG: 2297000 -30.9462 16.1266 9.86465 16.1266 38.4791 17.4399 9.86469 17.44 -10.6399 GPRESSAVG: 2297000 -30.5396 14.2501 8.80061 13.9497 38.8385 18.5933 11.9257 16.3205 -11.2493 TIMING: 2297000 CPU: 7333.08, 0.00317163/step Wall: 7333.08, 0.00317163/step, 2.38136 hours remaining, 234.449219 MB of memory in use. ENERGY: 2297000 4001.8987 20555.8798 14404.7261 254.1481 -203258.6469 2577.9849 0.0000 0.0000 51915.5120 -109548.4971 298.3592 -161464.0092 -109187.1203 299.2168 105.9205 134.5955 761111.8381 -1.0357 -0.9835 PRESSURE: 2297200 57.8409 -44.193 9.47696 -44.1924 -17.8955 -74.5246 9.47607 -74.5238 250.271 GPRESSURE: 2297200 82.9106 -52.0902 74.9992 -2.08172 8.43592 7.83108 -40.7218 -36.3466 283.835 PRESSAVG: 2297200 -8.7449 20.5934 58.3427 20.5934 29.8712 -24.2318 58.3428 -24.2318 -5.03064 GPRESSAVG: 2297200 -9.95326 24.3858 59.6012 21.0049 30.7715 -23.0854 56.0807 -22.1663 -4.95962 TIMING: 2297200 CPU: 7333.72, 0.00317911/step Wall: 7333.72, 0.00317911/step, 2.38681 hours remaining, 234.449219 MB of memory in use. ENERGY: 2297200 3938.3848 20632.5143 14405.6172 248.4621 -203399.1283 2549.7294 0.0000 0.0000 52132.4407 -109491.9798 299.6059 -161624.4205 -109123.7959 299.0626 96.7389 125.0606 761785.8175 5.3652 5.2862 PRESSURE: 2297400 95.9198 -19.2351 -221.968 -19.2355 -20.0487 3.69669 -221.968 3.69649 -143.139 GPRESSURE: 2297400 181.918 -50.6315 -177.252 -71.4283 -9.05722 10.559 -201.604 21.1503 -120.384 PRESSAVG: 2297400 -21.239 16.5086 18.3716 16.5086 -15.5994 3.50448 18.3715 3.50442 19.7861 GPRESSAVG: 2297400 -20.987 14.0331 18.2838 18.0546 -14.3128 0.492992 17.7118 3.89756 18.2778 TIMING: 2297400 CPU: 7334.35, 0.00317394/step Wall: 7334.35, 0.00317394/step, 2.38275 hours remaining, 234.449219 MB of memory in use. ENERGY: 2297400 3966.3857 20549.5042 14500.5727 261.4900 -203806.5335 2852.4081 0.0000 0.0000 52170.8009 -109505.3719 299.8263 -161676.1728 -109139.3692 299.4315 -22.4227 17.4922 760867.8054 -5.6841 -5.6740 PRESSURE: 2297600 271.626 74.9747 61.8791 74.9758 -98.2915 -35.0773 61.8792 -35.0776 315.695 GPRESSURE: 2297600 335.844 39.4292 -17.6161 144.813 -47.8256 -105.3 88.5422 -107.583 290.739 PRESSAVG: 2297600 13.932 7.42572 33.0329 7.4257 -9.42888 -2.19734 33.0329 -2.19733 -3.05711 GPRESSAVG: 2297600 15.121 8.68089 32.3783 5.944 -11.0166 -0.362371 34.1811 -3.18977 -2.36053 TIMING: 2297600 CPU: 7334.98, 0.00315744/step Wall: 7334.98, 0.00315744/step, 2.37018 hours remaining, 234.449219 MB of memory in use. ENERGY: 2297600 3894.3070 20547.1741 14584.3657 233.9311 -203271.5594 2451.4924 0.0000 0.0000 52169.7370 -109390.5521 299.8202 -161560.2891 -109038.5385 299.3194 163.0099 192.9193 762455.9023 0.4820 0.5813 PRESSURE: 2297800 -259.486 28.4236 -55.7233 28.4222 234.315 213.172 -55.7226 213.17 -103.489 GPRESSURE: 2297800 -193.621 -0.274866 -99.3299 177.814 201.128 241.876 -26.2796 5.62622 -45.2474 PRESSAVG: 2297800 58.0814 -0.534959 -46.1637 -0.534945 -14.4428 36.5439 -46.1637 36.5438 -15.2548 GPRESSAVG: 2297800 56.7056 -2.95014 -45.5638 0.719481 -13.6789 36.592 -46.4618 34.7527 -14.6015 TIMING: 2297800 CPU: 7335.62, 0.00320064/step Wall: 7335.62, 0.00320064/step, 2.40244 hours remaining, 234.449219 MB of memory in use. ENERGY: 2297800 4057.9668 20413.0524 14461.7403 254.6711 -203361.8904 2667.9867 0.0000 0.0000 51622.0957 -109884.3774 296.6729 -161506.4731 -109534.3455 298.6738 -42.8870 -12.5802 762067.3071 9.4612 9.4751 PRESSURE: 2298000 91.9273 -228.424 33.3934 -228.424 -206.945 147.766 33.3928 147.765 75.2865 GPRESSURE: 2298000 128.722 -224.613 48.0842 -164.505 -195.074 165.048 -57.4889 123.729 123.031 PRESSAVG: 2298000 61.3777 -19.3896 -21.2859 -19.3896 -60.9517 1.7566 -21.2859 1.75666 6.79618 GPRESSAVG: 2298000 61.2385 -19.6035 -22.2835 -19.5051 -59.7305 3.7345 -22.4458 0.571692 6.21027 TIMING: 2298000 CPU: 7336.26, 0.00318346/step Wall: 7336.26, 0.00318346/step, 2.38937 hours remaining, 234.527344 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: 2298000 3966.1586 20404.4844 14455.0393 236.1899 -203529.7710 2834.8273 0.0000 0.0000 51794.3944 -109838.6770 297.6631 -161633.0714 -109483.5793 298.0926 -13.2436 18.8927 761647.5693 2.4074 2.5728 PRESSURE: 2298200 26.5437 -208.56 16.5833 -208.559 82.1181 15.3378 16.5825 15.3385 -32.6088 GPRESSURE: 2298200 193.909 -168.16 104.687 -172.985 54.5888 81.3438 -47.5794 -24.4378 -88.4168 PRESSAVG: 2298200 -19.6714 22.5555 47.5249 22.5555 -37.0382 1.53247 47.5249 1.53243 -1.73069 GPRESSAVG: 2298200 -17.6115 23.4736 47.9278 22.7178 -38.5857 -1.08101 47.7972 4.13615 -2.03309 TIMING: 2298200 CPU: 7336.89, 0.00316368/step Wall: 7336.89, 0.00316368/step, 2.37434 hours remaining, 234.527344 MB of memory in use. ENERGY: 2298200 3999.4435 20376.3969 14423.3635 248.6294 -203227.3268 2395.6178 0.0000 0.0000 51976.0070 -109807.8688 298.7068 -161783.8757 -109445.9402 298.3825 25.3510 53.3603 760412.3153 -19.4801 -19.4101 PRESSURE: 2298400 -400.278 55.8117 -135.836 55.8115 -130.454 70.4261 -135.836 70.4268 303.973 GPRESSURE: 2298400 -234.07 5.9727 -128.148 -6.7103 -196.32 61.6351 -65.2827 103.351 292.009 PRESSAVG: 2298400 -0.514993 -12.3959 31.7401 -12.3959 -29.8858 23.9891 31.7401 23.9891 -4.58773 GPRESSAVG: 2298400 -1.34824 -12.8939 31.9643 -12.6078 -29.2016 24.0869 33.8713 23.5069 -4.29876 TIMING: 2298400 CPU: 7337.53, 0.00318103/step Wall: 7337.53, 0.00318103/step, 2.38718 hours remaining, 234.527344 MB of memory in use. ENERGY: 2298400 4016.9403 20496.2761 14493.8766 244.1443 -203425.9046 2452.8811 0.0000 0.0000 51863.8380 -109857.9482 298.0622 -161721.7862 -109505.3914 298.4094 -75.5860 -46.1270 760610.2565 -11.6628 -11.6162 PRESSURE: 2298600 38.8485 -225.657 308.97 -225.657 179.907 -236.176 308.97 -236.177 209.772 GPRESSURE: 2298600 67.3802 -179.028 292.344 -32.2592 160.01 -189.233 349.998 -295.381 270.504 PRESSAVG: 2298600 -67.6035 11.3623 9.14454 11.3622 42.6398 -40.854 9.14454 -40.8539 21.9576 GPRESSAVG: 2298600 -67.7741 12.2533 8.9591 9.81252 43.0542 -40.2254 7.04539 -42.0053 21.4493 TIMING: 2298600 CPU: 7338.16, 0.00317109/step Wall: 7338.16, 0.00317109/step, 2.37955 hours remaining, 234.527344 MB of memory in use. ENERGY: 2298600 4023.7399 20456.9731 14466.0473 268.8513 -203752.9529 2726.3446 0.0000 0.0000 52022.4489 -109788.5478 298.9737 -161810.9967 -109422.1409 298.8855 142.8426 165.9647 758713.1039 -1.0020 -1.0902 PRESSURE: 2298800 -194.042 73.0835 242.204 73.0843 -90.2586 -303.284 242.204 -303.285 -111.728 GPRESSURE: 2298800 -83.8084 188.573 243.638 110.71 -62.0787 -217.439 64.3141 -320.323 -157.479 PRESSAVG: 2298800 -1.18709 10.3363 11.0158 10.3363 -20.2348 -45.2779 11.0158 -45.2779 6.5183 GPRESSAVG: 2298800 -0.427594 10.4969 9.2422 10.9165 -19.9752 -45.8768 12.4875 -44.0721 5.5924 TIMING: 2298800 CPU: 7338.79, 0.00315342/step Wall: 7338.79, 0.00315342/step, 2.36611 hours remaining, 234.527344 MB of memory in use. ENERGY: 2298800 3970.0136 20512.1652 14488.1153 240.6082 -203549.3957 2518.5520 0.0000 0.0000 51844.1310 -109975.8103 297.9489 -161819.9414 -109618.1831 298.7696 -132.0094 -101.1221 758743.4972 -4.9679 -4.9368 PRESSURE: 2299000 -130.105 300.238 -25.7536 300.238 -120.245 188.624 -25.7543 188.624 90.8294 GPRESSURE: 2299000 -39.9871 273.807 -6.49543 196.313 -122.471 180.63 -5.73932 231.841 90.9954 PRESSAVG: 2299000 36.7304 -20.6313 16.087 -20.6313 -2.96521 -50.2953 16.0869 -50.2952 -6.58413 GPRESSAVG: 2299000 36.4185 -20.6444 17.9187 -22.7591 -3.27024 -50.9352 15.6349 -50.242 -6.46446 TIMING: 2299000 CPU: 7339.42, 0.00315754/step Wall: 7339.42, 0.00315754/step, 2.36903 hours remaining, 234.527344 MB of memory in use. ENERGY: 2299000 3982.3503 20380.0851 14464.4897 262.8234 -203622.2400 2541.3391 0.0000 0.0000 52088.7552 -109902.3971 299.3548 -161991.1524 -109536.7820 298.3984 -53.1738 -23.8210 759684.9800 9.0604 8.8946 PRESSURE: 2299200 33.2763 214.484 85.3583 214.484 -279.157 23.6588 85.3577 23.6582 -46.0443 GPRESSURE: 2299200 29.0512 213.892 95.9145 131.521 -281.857 -43.2096 -16.8576 151.256 19.9515 PRESSAVG: 2299200 68.7442 -55.9807 -13.1463 -55.9807 -65.3444 -31.0444 -13.1463 -31.0444 1.63526 GPRESSAVG: 2299200 68.877 -58.2476 -14.7472 -52.6007 -65.3857 -30.6301 -13.6666 -30.4364 1.29707 TIMING: 2299200 CPU: 7340.06, 0.00317177/step Wall: 7340.06, 0.00317177/step, 2.37953 hours remaining, 234.527344 MB of memory in use. ENERGY: 2299200 3950.5110 20398.5071 14511.1704 236.3010 -203466.2105 2420.6397 0.0000 0.0000 51879.1558 -110069.9254 298.1502 -161949.0813 -109707.9399 298.2944 -97.3085 -77.6180 760074.0969 1.6783 1.5961 PRESSURE: 2299400 17.5404 -172.252 -329.986 -172.252 147.875 -259.021 -329.986 -259.023 87.3437 GPRESSURE: 2299400 91.8692 -122.672 -368.886 -173.537 160.832 -234.151 -205.737 -264.311 74.1378 PRESSAVG: 2299400 112.174 -53.8667 -27.2096 -53.8667 -45.1851 -28.7988 -27.2096 -28.7988 7.2679 GPRESSAVG: 2299400 111.153 -50.9808 -26.5085 -53.8025 -46.0782 -27.4448 -28.8288 -28.821 8.08164 TIMING: 2299400 CPU: 7340.7, 0.00318861/step Wall: 7340.7, 0.00318861/step, 2.39199 hours remaining, 234.527344 MB of memory in use. ENERGY: 2299400 3945.2456 20484.2257 14478.7255 248.0763 -203889.5337 2606.2891 0.0000 0.0000 52066.9534 -110060.0180 299.2295 -162126.9714 -109704.1113 298.5628 84.2532 108.9463 759537.8211 24.7524 24.3854 PRESSURE: 2299600 -126.817 -172.728 314.842 -172.727 -230.319 -102.512 314.842 -102.513 -237.72 GPRESSURE: 2299600 -170.377 -174.293 293.359 -287.773 -176.366 -144.169 451.533 -36.1803 -154.109 PRESSAVG: 2299600 83.7436 15.2787 -76.4709 15.2787 -63.8562 -19.5409 -76.4709 -19.5409 -16.0002 GPRESSAVG: 2299600 84.6955 15.2419 -76.1996 14.9853 -64.2228 -20.8322 -74.0032 -20.5881 -16.4919 TIMING: 2299600 CPU: 7341.33, 0.00318469/step Wall: 7341.33, 0.00318469/step, 2.38887 hours remaining, 234.527344 MB of memory in use. ENERGY: 2299600 4021.3399 20407.3736 14415.3438 238.7811 -203791.8208 2648.7061 0.0000 0.0000 51826.1678 -110234.1085 297.8457 -162060.2763 -109878.9731 298.2498 -198.2855 -166.9504 760670.6578 1.2957 1.3269 PRESSURE: 2299800 -8.54516 -3.83522 131.142 -3.83615 241.563 5.07785 131.142 5.07857 -174.472 GPRESSURE: 2299800 -53.9421 84.8314 62.004 3.34884 372.713 34.844 -8.23449 203.869 -182.39 PRESSAVG: 2299800 25.1903 -34.1752 -1.50595 -34.1752 -24.1031 5.57188 -1.5059 5.5719 -11.9554 GPRESSAVG: 2299800 25.4013 -35.7934 -0.994434 -34.3493 -23.8359 7.07896 -2.74274 6.54282 -11.9101 TIMING: 2299800 CPU: 7341.97, 0.00319467/step Wall: 7341.97, 0.00319467/step, 2.39618 hours remaining, 234.527344 MB of memory in use. ENERGY: 2299800 3931.0983 20291.7678 14422.7856 239.4739 -203387.9339 2425.3046 0.0000 0.0000 51876.0857 -110201.4180 298.1326 -162077.5038 -109828.6773 297.9002 19.5153 45.4601 761035.8670 -3.6228 -3.4482 PRESSURE: 2300000 269.935 -186.868 105.703 -186.868 124.57 21.32 105.702 21.3204 140.718 GPRESSURE: 2300000 296.501 -206.38 106.714 -34.3125 276.767 83.8971 150.91 21.9041 56.6057 PRESSAVG: 2300000 -3.7185 -68.5279 15.5134 -68.5279 33.0684 27.2386 15.5134 27.2386 19.3799 GPRESSAVG: 2300000 -4.83792 -67.2404 14.3761 -68.35 33.9396 24.6891 16.4382 28.5976 19.9459 TIMING: 2300000 CPU: 7342.61, 0.00316835/step Wall: 7342.61, 0.00316835/step, 2.37626 hours remaining, 234.527344 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: 2300000 3849.7711 20416.0715 14443.9670 256.5206 -203547.6323 2355.9093 0.0000 0.0000 52160.6485 -110064.7442 299.7680 -162225.3927 -109703.3634 298.5871 178.4078 209.9580 760680.1926 16.2433 16.3492 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.4.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 -19.3796 77.4379 -86.9869 77.4378 94.3067 20.3148 -86.9872 20.3151 579.849 GPRESSURE: 2300200 72.9078 3.05505 -74.897 138.918 93.5948 -18.5163 -88.5722 120.143 563.172 PRESSAVG: 2300200 65.3076 -34.7637 -4.92545 -34.7636 -68.5609 -28.4967 -4.92547 -28.4968 2.88297 GPRESSAVG: 2300200 66.0764 -35.9314 -4.82287 -34.6699 -68.7095 -25.6703 -3.66856 -31.3589 2.2068 TIMING: 2300200 CPU: 7343.27, 0.00329804/step Wall: 7343.27, 0.00329804/step, 2.47335 hours remaining, 234.527344 MB of memory in use. ENERGY: 2300200 3884.0923 20509.4187 14427.1052 249.6566 -203759.5357 2735.3312 0.0000 0.0000 51984.5337 -109969.3980 298.7558 -161953.9317 -109606.0840 298.4631 218.2587 243.2250 760162.1635 -0.1235 -0.1421 LDB: ============= START OF LOAD BALANCING ============== 7355.69 LDB: ============== END OF LOAD BALANCING =============== 7355.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7355.69 LDB: ============= START OF LOAD BALANCING ============== 7356.01 LDB: Largest compute 7033 load 0.035181 is 18.0% of average load 0.195395 LDB: Average compute 0.004399 is 2.3% of average load 0.195395 LDB: TIME 7356.02 LOAD: AVG 0.195395 MAX 0.216348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 7356.02 LOAD: AVG 0.195395 MAX 0.216348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: TIME 7356.02 LOAD: AVG 0.195395 MAX 0.216348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: ============== END OF LOAD BALANCING =============== 7356.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.02 PRESSURE: 2300400 -314.191 -7.68129 5.18052 -7.68001 -19.0926 29.9726 5.18022 29.9725 50.7597 GPRESSURE: 2300400 -257.168 -37.5483 23.7666 8.5053 -34.6547 56.9899 -62.8139 -60.2279 94.7183 PRESSAVG: 2300400 -13.7219 -50.513 18.0565 -50.5129 -23.8329 19.816 18.0564 19.816 8.28372 GPRESSAVG: 2300400 -11.6643 -51.4692 18.7229 -50.9204 -24.1846 18.6516 14.1115 21.1372 6.83746 TIMING: 2300400 CPU: 7343.92, 0.00325628/step Wall: 7343.92, 0.00325628/step, 2.44185 hours remaining, 235.417969 MB of memory in use. ENERGY: 2300400 3960.3722 20522.4814 14529.7877 255.7416 -203555.6437 2356.6420 0.0000 0.0000 51956.1791 -109974.4397 298.5929 -161930.6188 -109603.5723 298.2015 -94.1747 -65.7013 760901.7349 -9.7571 -9.6705 PRESSURE: 2300600 -128.373 -88.4422 -122.742 -88.4418 77.6 -41.3539 -122.742 -41.3544 -143.382 GPRESSURE: 2300600 -73.3137 -18.549 -113.084 4.23018 101.746 7.74787 -105.863 -90.101 -134.63 PRESSAVG: 2300600 38.4103 -41.3372 -58.4345 -41.3372 -35.3517 -20.3539 -58.4345 -20.3539 4.886 GPRESSAVG: 2300600 35.5766 -39.5403 -57.721 -40.9627 -34.1401 -20.6539 -54.5292 -22.9797 6.72803 TIMING: 2300600 CPU: 7344.56, 0.00319397/step Wall: 7344.56, 0.00319397/step, 2.39494 hours remaining, 235.488281 MB of memory in use. ENERGY: 2300600 3938.7739 20552.4403 14458.8944 250.7436 -203094.9604 2273.9681 0.0000 0.0000 51706.4283 -109913.7119 297.1576 -161620.1402 -109557.8557 298.3268 -64.7182 -35.3992 761647.5352 2.6482 2.7215 PRESSURE: 2300800 -292.465 8.30369 168.015 8.30315 -70.4365 17.2251 168.015 17.2245 -133.899 GPRESSURE: 2300800 -270.556 -58.8312 162.963 15.7196 -27.1644 -18.7027 206.427 -94.8618 -107.096 PRESSAVG: 2300800 -14.9734 -48.0748 -20.6054 -48.0748 33.7403 -12.4409 -20.6055 -12.4409 -7.54009 GPRESSAVG: 2300800 -14.1037 -48.0612 -22.3969 -47.3406 32.8346 -11.953 -20.3984 -9.56134 -7.01342 TIMING: 2300800 CPU: 7345.19, 0.00315934/step Wall: 7345.19, 0.00315934/step, 2.3688 hours remaining, 235.746094 MB of memory in use. ENERGY: 2300800 3910.6323 20445.0727 14512.6686 226.4513 -203206.9245 2411.9711 0.0000 0.0000 51930.5976 -109769.5310 298.4459 -161700.1286 -109417.5524 298.1071 -165.5999 -134.9388 762507.1433 3.7423 3.9058 PRESSURE: 2301000 72.389 -90.8272 -68.3901 -90.8277 -331.637 -32.9325 -68.3901 -32.9322 -129.044 GPRESSURE: 2301000 -0.924055 -131.811 29.3908 -57.9237 -185.584 -79.125 -8.4613 44.7808 -118.843 PRESSAVG: 2301000 -44.3507 -73.1325 -63.0481 -73.1325 34.9621 -39.2857 -63.0481 -39.2857 -30.4334 GPRESSAVG: 2301000 -44.1116 -76.3533 -60.9605 -74.1098 35.3334 -37.3667 -61.8949 -40.2456 -30.6531 TIMING: 2301000 CPU: 7345.82, 0.00316682/step Wall: 7345.82, 0.00316681/step, 2.37423 hours remaining, 235.746094 MB of memory in use. ENERGY: 2301000 4032.0234 20408.8124 14498.9605 258.8680 -203256.5416 2588.0741 0.0000 0.0000 51896.7766 -109573.0266 298.2515 -161469.8032 -109215.0125 298.8438 -129.4309 -101.7837 761420.5701 -13.2740 -13.1438 PRESSURE: 2301200 -174.915 -188.34 56.2373 -188.341 303.137 60.4521 56.2376 60.4516 -144.437 GPRESSURE: 2301200 -20.8767 -60.9674 49.7852 -243.726 206.665 -6.03966 15.3448 122.203 -114.444 PRESSAVG: 2301200 -16.5883 -17.8301 14.0286 -17.8301 47.262 15.8783 14.0286 15.8783 38.1168 GPRESSAVG: 2301200 -16.6514 -15.5202 12.9526 -18.6498 46.6504 14.7866 12.6882 16.318 38.7802 TIMING: 2301200 CPU: 7346.46, 0.00319193/step Wall: 7346.46, 0.00319194/step, 2.39289 hours remaining, 235.746094 MB of memory in use. ENERGY: 2301200 3943.9324 20487.1501 14448.5680 249.8483 -203536.4594 2894.7539 0.0000 0.0000 51926.7942 -109585.4124 298.4240 -161512.2066 -109233.0830 298.5933 -5.4050 23.7814 760973.1365 22.9302 22.9264 PRESSURE: 2301400 -157.699 -213.111 -176.152 -213.111 -300.604 100.427 -176.152 100.427 -275.684 GPRESSURE: 2301400 -60.0931 -168.86 -138.521 -129.893 -280.161 80.7767 -136.313 78.7219 -312.784 PRESSAVG: 2301400 -73.4655 -52.7211 -13.1561 -52.7211 75.3535 -15.9374 -13.156 -15.9374 4.71804 GPRESSAVG: 2301400 -73.416 -53.5257 -12.9112 -49.8066 76.8666 -15.7862 -13.3825 -17.208 3.09631 TIMING: 2301400 CPU: 7347.1, 0.00318916/step Wall: 7347.1, 0.00318916/step, 2.39063 hours remaining, 235.746094 MB of memory in use. ENERGY: 2301400 4041.4193 20405.4379 14538.7684 239.3276 -202843.8411 2124.1714 0.0000 0.0000 51800.7040 -109694.0125 297.6994 -161494.7165 -109329.8960 298.6707 -244.6624 -217.6793 761904.9740 2.2020 2.1823 PRESSURE: 2301600 116.972 -274.72 -81.8545 -274.72 -23.5356 56.5588 -81.8547 56.5588 28.3877 GPRESSURE: 2301600 118.023 -232.8 -64.5715 -215.026 -15.9604 -33.0277 26.2378 -37.9891 93.8362 PRESSAVG: 2301600 -27.9504 -54.989 13.4167 -54.9889 20.1362 16.0299 13.4167 16.0298 7.09045 GPRESSAVG: 2301600 -29.1717 -55.5513 13.498 -55.5548 20.2997 16.3711 13.5493 14.7818 8.17413 TIMING: 2301600 CPU: 7347.73, 0.00317126/step Wall: 7347.73, 0.00317126/step, 2.37703 hours remaining, 235.746094 MB of memory in use. ENERGY: 2301600 3978.8208 20469.9136 14470.2631 240.5761 -203542.0770 2479.6569 0.0000 0.0000 52151.7619 -109751.0845 299.7169 -161902.8464 -109385.2091 298.5189 40.6079 65.2996 760709.9242 -0.2413 -0.2326 PRESSURE: 2301800 51.2618 121.636 187.504 121.636 38.8854 140.118 187.505 140.118 250.987 GPRESSURE: 2301800 139.117 93.2082 249.98 60.2149 143.413 217.091 200.899 125.148 144.737 PRESSAVG: 2301800 45.2935 -34.9665 17.0106 -34.9665 -22.6453 57.5782 17.0107 57.5783 17.6551 GPRESSAVG: 2301800 46.415 -34.2942 18.6022 -34.7102 -23.1782 55.6854 16.9699 58.8424 17.4158 TIMING: 2301800 CPU: 7348.36, 0.0031617/step Wall: 7348.36, 0.0031617/step, 2.36969 hours remaining, 235.746094 MB of memory in use. ENERGY: 2301800 3932.7916 20479.7530 14471.0601 240.0924 -203467.3842 2668.8134 0.0000 0.0000 52333.0743 -109341.7995 300.7589 -161674.8738 -108974.5012 299.1795 113.7115 142.4224 761114.2742 13.4344 13.5509 PRESSURE: 2302000 -152.048 -191.606 121.249 -191.605 55.9632 -188.223 121.249 -188.223 -266.131 GPRESSURE: 2302000 -19.2189 -21.3091 137.933 -267.404 -47.064 -147.329 -1.05181 -118.408 -213.008 PRESSAVG: 2302000 63.2204 -40.7339 47.0345 -40.7339 -43.9809 68.7151 47.0345 68.7151 -24.519 GPRESSAVG: 2302000 63.3385 -38.9352 46.6129 -42.65 -45.1978 70.317 45.2186 69.1539 -23.918 TIMING: 2302000 CPU: 7349, 0.00319746/step Wall: 7349, 0.00319746/step, 2.39632 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2302000 3950.9613 20712.4968 14457.3553 243.0262 -203079.4332 2457.3276 0.0000 0.0000 51943.3626 -109314.9036 298.5192 -161258.2662 -108951.6034 299.6427 -120.7387 -93.0970 763467.0687 -1.7598 -1.9258 PRESSURE: 2302200 53.5195 -165.347 105.088 -165.349 100.171 -99.3233 105.088 -99.3248 -349.749 GPRESSURE: 2302200 110.417 -193.052 68.1785 -89.4383 172.481 -86.9536 -24.9062 55.1968 -388.828 PRESSAVG: 2302200 62.2001 3.99236 43.905 3.99237 -35.6248 31.2631 43.905 31.2632 20.7624 GPRESSAVG: 2302200 62.6169 3.69578 43.1031 3.98854 -34.3569 30.3512 44.69 30.7175 19.5201 TIMING: 2302200 CPU: 7349.65, 0.00322471/step Wall: 7349.65, 0.00322471/step, 2.41656 hours remaining, 235.871094 MB of memory in use. ENERGY: 2302200 4007.1138 20591.0222 14428.9014 248.5066 -203440.6302 2765.3223 0.0000 0.0000 52074.1966 -109325.5673 299.2711 -161399.7639 -108965.3413 299.6612 -65.3528 -35.3099 763524.9557 15.7792 15.9267 PRESSURE: 2302400 61.4973 185.862 -215.908 185.862 -453.811 -236.971 -215.908 -236.97 71.8928 GPRESSURE: 2302400 -39.8638 162.89 -248.426 195.988 -305.371 -285.38 -154.813 -255.286 117.748 PRESSAVG: 2302400 32.4386 -41.7104 15.7499 -41.7104 -35.702 -59.7963 15.7499 -59.7962 -9.32459 GPRESSAVG: 2302400 30.4766 -44.7968 15.0307 -40.447 -33.8202 -60.5983 17.1355 -58.5062 -9.11986 TIMING: 2302400 CPU: 7350.28, 0.0031713/step Wall: 7350.28, 0.0031713/step, 2.37636 hours remaining, 235.871094 MB of memory in use. ENERGY: 2302400 4025.8053 20573.0678 14497.1607 234.8509 -203455.2555 2811.6420 0.0000 0.0000 52067.0761 -109245.6527 299.2302 -161312.7288 -108884.2121 298.7646 -106.8071 -75.8289 761808.3826 -4.1960 -4.1545 PRESSURE: 2302600 -180.561 112.855 -68.9124 112.856 -158.135 46.8625 -68.9135 46.8625 -519.107 GPRESSURE: 2302600 -87.0738 199.175 -39.4584 192.719 -157.069 -13.2887 -68.373 25.8576 -544.831 PRESSAVG: 2302600 -19.16 -48.8242 0.0024734 -48.8242 -15.0526 41.7579 0.00252173 41.7579 24.0911 GPRESSAVG: 2302600 -18.0842 -46.4648 1.01073 -50.2811 -16.0762 42.5359 1.2099 41.0553 24.7097 TIMING: 2302600 CPU: 7350.91, 0.00316084/step Wall: 7350.91, 0.00316084/step, 2.36834 hours remaining, 235.871094 MB of memory in use. ENERGY: 2302600 3999.3575 20589.2847 14540.2093 247.6119 -203461.5633 2504.5440 0.0000 0.0000 52151.7531 -109428.8029 299.7168 -161580.5559 -109067.8151 299.7480 -285.9341 -262.9912 760509.2738 -3.3738 -3.1502 PRESSURE: 2302800 -81.2799 -98.4156 87.2045 -98.4149 -270.761 -44.4121 87.2042 -44.4124 0.7237 GPRESSURE: 2302800 -68.8258 -148.37 92.2017 -129.714 -220.136 -48.7512 139.686 27.8047 28.6184 PRESSAVG: 2302800 12.0815 3.37113 -8.47904 3.37108 33.4808 11.2009 -8.47902 11.2009 -5.27278 GPRESSAVG: 2302800 11.5416 4.44282 -9.049 3.50197 33.0016 11.1083 -10.0183 11.7646 -4.22648 TIMING: 2302800 CPU: 7351.55, 0.00315477/step Wall: 7351.55, 0.00315477/step, 2.36362 hours remaining, 235.871094 MB of memory in use. ENERGY: 2302800 4027.1813 20442.8082 14496.4120 252.7315 -203602.7913 2559.7678 0.0000 0.0000 52278.3800 -109545.5103 300.4446 -161823.8903 -109180.6545 299.4222 -117.1058 -86.7812 759672.7553 13.4298 13.4389 PRESSURE: 2303000 -80.8983 -116.583 -35.0056 -116.584 -57.9563 185.046 -35.0052 185.045 69.4834 GPRESSURE: 2303000 -33.3695 -69.1926 -62.0366 -88.4777 17.2625 296.524 -112.774 150.866 49.1365 PRESSAVG: 2303000 32.8703 -18.4272 35.457 -18.4272 -24.4608 -12.6479 35.457 -12.6479 21.8435 GPRESSAVG: 2303000 33.7745 -20.0535 36.1625 -16.7569 -24.5676 -13.5068 35.5187 -12.2481 21.0514 TIMING: 2303000 CPU: 7352.18, 0.00315143/step Wall: 7352.18, 0.00315143/step, 2.36095 hours remaining, 235.871094 MB of memory in use. ENERGY: 2303000 3955.6527 20399.6889 14452.5198 249.5191 -203355.5760 2550.8960 0.0000 0.0000 52150.6078 -109596.6916 299.7103 -161747.2994 -109235.8822 299.3071 -23.1237 11.0098 760771.4595 10.0843 10.0861 PRESSURE: 2303200 65.3854 -85.9237 77.3064 -85.9234 -114.481 -243.75 77.3068 -243.75 -57.1465 GPRESSURE: 2303200 71.6688 -133.387 50.7845 -90.9656 -124.336 -239.814 151.672 -291.328 41.8075 PRESSAVG: 2303200 -7.0278 23.7559 13.2013 23.7559 13.6548 11.858 13.2013 11.858 -28.161 GPRESSAVG: 2303200 -7.80806 26.009 13.6721 22.9069 14.6163 12.8816 12.0506 9.61197 -28.8974 TIMING: 2303200 CPU: 7352.81, 0.00316513/step Wall: 7352.81, 0.00316513/step, 2.37104 hours remaining, 235.871094 MB of memory in use. ENERGY: 2303200 3944.2274 20645.1720 14459.4069 247.5537 -203463.5205 2488.7575 0.0000 0.0000 52119.3668 -109559.0362 299.5307 -161678.4030 -109192.6876 299.0999 -35.4139 -3.6198 761364.3786 -7.1780 -7.3630 PRESSURE: 2303400 -99.673 150.035 -32.6006 150.035 -204.113 -173.553 -32.6015 -173.554 59.6068 GPRESSURE: 2303400 48.8938 7.59869 -18.4935 192.957 -257.934 -102.183 -62.8529 -230.16 72.588 PRESSAVG: 2303400 -12.4596 -16.9543 18.9887 -16.9544 -10.5712 -41.3435 18.9887 -41.3436 2.16118 GPRESSAVG: 2303400 -12.3639 -18.6011 17.0912 -19.0806 -11.0351 -42.4066 20.1869 -39.4596 2.67295 TIMING: 2303400 CPU: 7353.45, 0.00318267/step Wall: 7353.45, 0.00318267/step, 2.384 hours remaining, 235.871094 MB of memory in use. ENERGY: 2303400 3895.6403 20523.6742 14444.2570 269.1551 -203273.3728 2551.5440 0.0000 0.0000 52172.0705 -109417.0317 299.8336 -161589.1022 -109059.5817 299.2994 -81.3930 -45.4842 762040.3656 -6.9565 -6.9087 PRESSURE: 2303600 -243.957 -177.392 67.1452 -177.392 -141.768 23.206 67.1451 23.2067 51.7953 GPRESSURE: 2303600 -202.932 -83.8118 -69.5398 -181.304 -18.1884 87.5572 53.1662 37.7291 -15.166 PRESSAVG: 2303600 -6.16814 -56.5005 -2.88177 -56.5004 35.3462 -62.6204 -2.88179 -62.6203 -2.17826 GPRESSAVG: 2303600 -7.93319 -56.3375 -3.24358 -53.1023 37.0533 -63.0221 -2.1563 -62.7889 -2.36589 TIMING: 2303600 CPU: 7354.09, 0.00320783/step Wall: 7354.09, 0.00320783/step, 2.40267 hours remaining, 235.871094 MB of memory in use. ENERGY: 2303600 4068.7032 20434.0039 14421.2681 235.9175 -203317.7975 2586.7232 0.0000 0.0000 52190.1965 -109380.9852 299.9378 -161571.1817 -109012.1746 299.8562 -111.3100 -78.7621 761768.7466 8.9999 8.9181 PRESSURE: 2303800 -95.2897 -119.745 86.7521 -119.744 -257.429 22.0664 86.7525 22.0662 -34.1596 GPRESSURE: 2303800 -71.9587 -129.144 82.7027 -40.4967 -222.537 54.0201 -32.9769 -83.5776 -10.1527 PRESSAVG: 2303800 91.002 0.680691 -21.2395 0.680722 -41.5898 -42.4344 -21.2396 -42.4344 -5.16666 GPRESSAVG: 2303800 93.6194 1.37973 -20.175 -1.03454 -43.5825 -41.9564 -22.3802 -41.6249 -6.20249 TIMING: 2303800 CPU: 7354.72, 0.00316629/step Wall: 7354.72, 0.00316629/step, 2.37138 hours remaining, 235.871094 MB of memory in use. ENERGY: 2303800 3954.0595 20593.0357 14432.5071 255.0974 -203489.8746 2528.7729 0.0000 0.0000 52114.0768 -109612.3252 299.5003 -161726.4021 -109251.9452 299.3043 -128.9594 -101.5494 761020.7215 14.7485 14.6115 PRESSURE: 2304000 14.0333 -124.179 84.8792 -124.18 -315.548 -80.8882 84.8796 -80.8879 -0.936009 GPRESSURE: 2304000 -50.227 -26.6929 99.2482 -40.2704 -170.236 -66.4871 -24.5293 -66.1433 10.4102 PRESSAVG: 2304000 -48.5577 -78.2268 -53.6547 -78.2268 11.4795 -40.4329 -53.6547 -40.433 -14.973 GPRESSAVG: 2304000 -50.2287 -78.5581 -53.072 -77.8094 11.707 -40.821 -54.0463 -43.1733 -13.7027 TIMING: 2304000 CPU: 7355.35, 0.00316731/step Wall: 7355.35, 0.00316731/step, 2.37196 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2304000 4011.4006 20564.0321 14445.3200 247.3662 -203222.3719 2365.2846 0.0000 0.0000 52195.8840 -109393.0844 299.9705 -161588.9684 -109027.6843 299.3757 -100.8171 -70.0177 761121.5469 -17.3504 -17.4081 PRESSURE: 2304200 -88.9449 -62.9403 -75.671 -62.9407 -32.5379 7.82703 -75.6718 7.82631 -652.488 GPRESSURE: 2304200 -80.9627 -162.968 -41.8009 -131.199 50.0365 -48.0757 -61.4084 27.0245 -662.936 PRESSAVG: 2304200 -3.45854 -61.0579 -19.3942 -61.0579 -15.5039 -53.0288 -19.3942 -53.0289 15.596 GPRESSAVG: 2304200 -3.03924 -62.8724 -18.7211 -60.0755 -14.8279 -52.345 -19.5405 -52.8848 15.1338 TIMING: 2304200 CPU: 7355.98, 0.00315132/step Wall: 7355.98, 0.00315132/step, 2.35981 hours remaining, 235.871094 MB of memory in use. ENERGY: 2304200 4075.7163 20557.7363 14435.2906 262.8386 -202976.2005 2184.1675 0.0000 0.0000 51903.6518 -109556.7995 298.2910 -161460.4512 -109192.3211 299.3959 -257.9904 -231.2874 759685.5429 -1.1222 -0.9111 LDB: ============= START OF LOAD BALANCING ============== 7368.4 LDB: ============== END OF LOAD BALANCING =============== 7368.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.41 LDB: ============= START OF LOAD BALANCING ============== 7368.72 LDB: Largest compute 7033 load 0.033807 is 17.3% of average load 0.195456 LDB: Average compute 0.004387 is 2.2% of average load 0.195456 LDB: TIME 7368.72 LOAD: AVG 0.195456 MAX 0.217534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 7368.72 LOAD: AVG 0.195456 MAX 0.217534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 7368.73 LOAD: AVG 0.195456 MAX 0.217534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 7368.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.73 PRESSURE: 2304400 56.4075 -62.7973 -45.4738 -62.798 295.144 -77.7428 -45.4736 -77.7434 133.762 GPRESSURE: 2304400 84.7619 -93.0536 6.23771 -39.3177 244.358 -14.244 -213.826 -166.213 200.214 PRESSAVG: 2304400 11.6185 -27.6685 49.8048 -27.6685 31.3984 -42.3159 49.8048 -42.3159 -14.5282 GPRESSAVG: 2304400 12.3498 -25.0815 49.2972 -28.8264 31.5842 -42.4162 49.7173 -42.3587 -15.4533 TIMING: 2304400 CPU: 7356.63, 0.00320986/step Wall: 7356.63, 0.00320986/step, 2.40347 hours remaining, 233.363281 MB of memory in use. ENERGY: 2304400 3949.6419 20375.0977 14472.5391 247.5537 -203551.7894 2553.1930 0.0000 0.0000 52296.2988 -109657.4652 300.5475 -161953.7640 -109281.3559 298.8745 161.7710 176.4447 759036.9113 9.4962 9.4936 PRESSURE: 2304600 -262.351 58.2988 218.112 58.2983 241.809 -76.8033 218.111 -76.8041 9.98933 GPRESSURE: 2304600 -176.901 133.257 292.813 184.699 192.197 -100.836 180.374 -134.564 50.5557 PRESSAVG: 2304600 18.3762 -39.0141 55.2915 -39.0142 13.4028 -9.09986 55.2914 -9.09991 17.3716 GPRESSAVG: 2304600 18.8159 -41.6225 54.3187 -38.9663 12.037 -9.23099 56.5829 -6.62095 18.1211 TIMING: 2304600 CPU: 7357.26, 0.00315695/step Wall: 7357.26, 0.00315695/step, 2.36368 hours remaining, 233.363281 MB of memory in use. ENERGY: 2304600 3973.8632 20509.2797 14450.6199 237.2052 -203389.8472 2445.4645 0.0000 0.0000 52191.2751 -109582.1396 299.9440 -161773.4147 -109221.6127 298.9747 -3.5174 21.9505 759722.8677 16.3835 16.3247 PRESSURE: 2304800 73.7469 133.468 -132.579 133.469 -70.0798 7.0938 -132.578 7.09348 -137.083 GPRESSURE: 2304800 85.2376 95.2354 -107.592 72.2746 28.3207 -69.4652 -109.14 42.0836 -153.409 PRESSAVG: 2304800 70.6352 -26.6561 -25.7726 -26.656 -22.9372 2.16224 -25.7727 2.16225 -21.5474 GPRESSAVG: 2304800 69.0488 -24.1079 -25.6449 -26.624 -21.004 2.71969 -24.8253 0.938263 -21.7841 TIMING: 2304800 CPU: 7357.89, 0.00315879/step Wall: 7357.89, 0.00315879/step, 2.36488 hours remaining, 233.363281 MB of memory in use. ENERGY: 2304800 3925.7893 20353.6919 14416.6484 218.5630 -203249.5617 2595.2229 0.0000 0.0000 52128.2113 -109611.4348 299.5815 -161739.6461 -109237.7998 299.0605 -44.4719 -13.2837 760470.3906 8.7169 8.7536 PRESSURE: 2305000 -196.102 29.8272 -153.169 29.8271 -259.293 -17.2778 -153.17 -17.2769 -11.7682 GPRESSURE: 2305000 -204.167 -52.3284 -202.539 -36.243 -180.088 43.3539 -215.351 -1.61776 8.50956 PRESSAVG: 2305000 -13.0572 -14.8407 -48.0577 -14.8406 12.2659 -37.8621 -48.0577 -37.8622 -7.22175 GPRESSAVG: 2305000 -12.9796 -15.9655 -48.4648 -16.1422 11.4801 -37.6294 -48.4249 -39.0833 -6.41311 TIMING: 2305000 CPU: 7358.52, 0.00316202/step Wall: 7358.52, 0.00316202/step, 2.36713 hours remaining, 233.363281 MB of memory in use. ENERGY: 2305000 4056.3040 20359.0191 14492.5787 248.6177 -203502.6593 2432.4208 0.0000 0.0000 52231.8267 -109681.8924 300.1770 -161913.7190 -109314.1736 298.8226 -155.7209 -125.2485 759581.2091 -2.6710 -2.6375 PRESSURE: 2305200 -294.215 -21.9553 364.155 -21.9556 -303.749 -157.424 364.155 -157.426 -420.337 GPRESSURE: 2305200 -224.307 57.9243 339.333 51.5362 -324.167 -122.048 280.829 -133.702 -377.337 PRESSAVG: 2305200 30.5525 -21.0447 -4.43711 -21.0447 15.488 -69.1817 -4.43705 -69.1817 11.2573 GPRESSAVG: 2305200 31.2418 -19.7487 -4.22079 -21.1111 15.5317 -68.7075 -7.04816 -69.1858 10.8098 TIMING: 2305200 CPU: 7359.16, 0.00317431/step Wall: 7359.16, 0.00317431/step, 2.37615 hours remaining, 233.363281 MB of memory in use. ENERGY: 2305200 4024.4307 20395.5647 14423.9299 220.4443 -203102.5899 2486.9099 0.0000 0.0000 52196.2640 -109355.0464 299.9726 -161551.3104 -108998.6578 299.2666 -339.4335 -308.6036 761814.2089 19.0993 19.1944 PRESSURE: 2305400 -72.6105 -40.9015 -201.375 -40.9017 -32.4487 -4.39853 -201.375 -4.39886 -228.904 GPRESSURE: 2305400 -49.2717 65.8103 -225.655 -12.0682 19.2429 -129.127 -4.55214 -32.3769 -216.451 PRESSAVG: 2305400 34.0864 -26.2294 25.8158 -26.2293 2.89192 6.20059 25.8159 6.20056 3.56546 GPRESSAVG: 2305400 34.341 -25.4648 24.7025 -26.2578 2.95151 5.83184 27.399 5.49039 3.25437 TIMING: 2305400 CPU: 7359.79, 0.00316739/step Wall: 7359.79, 0.00316739/step, 2.37079 hours remaining, 233.363281 MB of memory in use. ENERGY: 2305400 4055.2664 20417.9610 14511.8445 249.9342 -202963.9484 2366.4721 0.0000 0.0000 52135.5050 -109226.9653 299.6235 -161362.4703 -108864.6616 299.5067 -111.3211 -82.1599 760007.6938 13.5146 13.5156 PRESSURE: 2305600 229.175 -207.098 -61.9628 -207.098 -330.787 -128.152 -61.9626 -128.153 46.6875 GPRESSURE: 2305600 230.058 -276.02 -111.045 -249.346 -235.8 -175.01 30.8745 -126.778 36.6518 PRESSAVG: 2305600 37.8865 -20.4684 -31.1398 -20.4684 -56.252 -35.6038 -31.1397 -35.6038 1.39692 GPRESSAVG: 2305600 37.4458 -22.266 -29.9035 -19.8704 -56.0257 -36.2558 -31.7743 -35.5087 1.57832 TIMING: 2305600 CPU: 7360.42, 0.00315798/step Wall: 7360.42, 0.00315798/step, 2.36358 hours remaining, 233.363281 MB of memory in use. ENERGY: 2305600 3988.4621 20640.2688 14485.9427 242.2932 -203343.1060 2686.3993 0.0000 0.0000 52082.5107 -109217.2292 299.3189 -161299.7400 -108859.3762 299.3731 -18.3083 10.3034 761602.0350 -5.6562 -5.6672 PRESSURE: 2305800 179.841 -56.6358 188.523 -56.6361 36.3316 72.8883 188.521 72.8877 129.581 GPRESSURE: 2305800 210.21 34.6351 150.322 -29.5911 102.449 23.4795 257.589 86.7349 125.468 PRESSAVG: 2305800 46.4004 -35.4156 1.95401 -35.4155 10.3108 -27.9473 1.95393 -27.9473 -18.4355 GPRESSAVG: 2305800 44.1779 -34.5041 1.40421 -35.3923 11.2685 -28.7435 1.07689 -25.5053 -17.5175 TIMING: 2305800 CPU: 7361.05, 0.00313452/step Wall: 7361.05, 0.00313452/step, 2.34584 hours remaining, 233.363281 MB of memory in use. ENERGY: 2305800 4025.9774 20407.4657 14454.7456 247.9733 -202880.5903 2364.9166 0.0000 0.0000 52035.7874 -109343.7242 299.0504 -161379.5116 -108972.9163 298.9587 115.2510 146.0425 761923.1816 12.7585 12.6430 PRESSURE: 2306000 83.236 -39 -62.2843 -38.9991 245.162 185.564 -62.2829 185.564 115.845 GPRESSURE: 2306000 138.886 -31.9181 -83.4028 -86.3659 283.601 226.42 50.8879 15.0813 102.263 PRESSAVG: 2306000 20.9892 -53.5151 -26.8902 -53.5152 -10.0741 26.4544 -26.8901 26.4545 -4.33442 GPRESSAVG: 2306000 23.9119 -52.8654 -27.0722 -55.3015 -12.3943 26.3074 -24.6747 23.0664 -5.24392 TIMING: 2306000 CPU: 7361.68, 0.00314237/step Wall: 7361.68, 0.00314237/step, 2.35154 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 4041.5000 20482.0115 14493.4930 243.0318 -203161.5914 2576.9655 0.0000 0.0000 52197.6573 -109126.9323 299.9807 -161324.5896 -108768.4779 299.3700 148.0807 174.9169 761017.0197 2.1936 2.0912 PRESSURE: 2306200 61.4429 -20.1819 -268.276 -20.1822 -81.0952 -192.307 -268.276 -192.307 165.722 GPRESSURE: 2306200 47.6311 -67.4871 -197.572 3.28611 -28.7289 -188.918 -248.094 -121.715 211.371 PRESSAVG: 2306200 12.064 -21.4844 -11.267 -21.4844 -27.9127 1.33435 -11.2671 1.33432 -3.91835 GPRESSAVG: 2306200 11.008 -22.2962 -10.2443 -20.657 -27.5695 1.94366 -9.67203 3.40295 -3.18204 TIMING: 2306200 CPU: 7362.31, 0.00315303/step Wall: 7362.31, 0.00315303/step, 2.35934 hours remaining, 233.363281 MB of memory in use. ENERGY: 2306200 3888.9040 20534.2713 14496.3785 247.6874 -202987.1992 2391.4653 0.0000 0.0000 52468.3678 -108960.1248 301.5364 -161428.4925 -108590.9840 299.6877 48.6900 76.7576 762551.7783 -6.5890 -6.5812 PRESSURE: 2306400 165.59 93.1303 140.432 93.13 -105.735 -8.67817 140.431 -8.67914 142.468 GPRESSURE: 2306400 166.613 215.878 268.627 1.78679 -18.9679 -100.457 58.2474 175.533 149.598 PRESSAVG: 2306400 2.76406 -74.5781 -7.09836 -74.5781 -36.89 -22.8645 -7.0984 -22.8645 11.4765 GPRESSAVG: 2306400 2.86268 -75.5336 -8.32047 -73.826 -36.7927 -23.4893 -8.22162 -19.3852 10.8125 TIMING: 2306400 CPU: 7362.94, 0.00317401/step Wall: 7362.94, 0.00317401/step, 2.37486 hours remaining, 233.363281 MB of memory in use. ENERGY: 2306400 3951.6660 20612.9651 14477.4556 251.4932 -203091.3967 2652.5622 0.0000 0.0000 52277.6615 -108867.5931 300.4404 -161145.2547 -108499.1320 300.2342 67.4409 99.0810 762725.8815 -7.5498 -7.7058 PRESSURE: 2306600 -10.2052 285.966 55.6768 285.966 -290.958 -32.3543 55.6783 -32.354 103.948 GPRESSURE: 2306600 -58.7949 198.367 35.0918 272.461 -160.187 -0.12195 3.4879 82.0788 84.2269 PRESSAVG: 2306600 31.8004 -32.5688 -7.27867 -32.5688 1.60008 -21.8662 -7.27863 -21.8663 3.21248 GPRESSAVG: 2306600 31.102 -32.0057 -7.80287 -34.2672 1.73034 -21.6737 -6.67467 -26.8733 3.43757 TIMING: 2306600 CPU: 7363.58, 0.0031698/step Wall: 7363.58, 0.0031698/step, 2.37154 hours remaining, 233.363281 MB of memory in use. ENERGY: 2306600 3968.8251 20467.1955 14575.0807 237.8130 -202583.7690 2414.0590 0.0000 0.0000 52259.1869 -108661.6088 300.3343 -160920.7957 -108293.9690 300.5679 -65.7383 -44.9182 761899.4543 12.2043 12.0900 PRESSURE: 2306800 9.6253 -51.3378 -48.0643 -51.3383 12.7431 -110.727 -48.0638 -110.728 -23.953 GPRESSURE: 2306800 79.3936 -138.624 -71.6311 -13.8895 26.3513 -101.282 -153.924 -160.677 -26.0145 PRESSAVG: 2306800 8.43992 -42.1043 -10.7864 -42.1042 -9.8425 -18.5721 -10.7865 -18.5722 -0.512321 GPRESSAVG: 2306800 7.55009 -41.6668 -7.93792 -40.1687 -9.63829 -17.7316 -13.8043 -16.8879 0.437004 TIMING: 2306800 CPU: 7364.22, 0.00319492/step Wall: 7364.22, 0.00319492/step, 2.39016 hours remaining, 233.363281 MB of memory in use. ENERGY: 2306800 4047.4622 20540.3408 14525.4009 228.5166 -203341.2617 2590.4592 0.0000 0.0000 52313.6709 -109095.4112 300.6474 -161409.0821 -108744.3904 300.4295 -0.5282 26.5768 761610.1159 -0.6383 -0.5504 PRESSURE: 2307000 -142.051 119.482 -136.533 119.482 6.7402 -177.979 -136.532 -177.979 247.24 GPRESSURE: 2307000 -44.7119 203.474 -108.588 62.4418 13.9326 -213.879 -72.8287 -197.887 222.311 PRESSAVG: 2307000 30.8161 -20.4505 -84.8072 -20.4505 6.8751 21.2667 -84.8071 21.2667 1.52821 GPRESSAVG: 2307000 32.853 -20.7625 -86.2588 -19.8869 6.00353 19.2832 -83.5581 21.883 0.284806 TIMING: 2307000 CPU: 7364.85, 0.00316151/step Wall: 7364.85, 0.00316151/step, 2.36499 hours remaining, 233.363281 MB of memory in use. ENERGY: 2307000 4007.6736 20571.2099 14554.8444 260.1185 -203392.6008 2692.7745 0.0000 0.0000 52140.0302 -109165.9498 299.6495 -161305.9800 -108811.8249 300.1942 37.3098 63.8440 760220.3712 13.0731 13.0471 PRESSURE: 2307200 23.778 -13.6959 -73.3748 -13.6957 -598.296 -35.6323 -73.3755 -35.6326 171.216 GPRESSURE: 2307200 -44.7781 -27.1356 -107.978 3.54595 -394.378 -72.8316 -151.803 104.746 117.976 PRESSAVG: 2307200 -26.3728 -65.4369 -130.114 -65.4369 28.5414 -44.7567 -130.115 -44.7567 -12.0048 GPRESSAVG: 2307200 -28.4677 -65.3854 -129.95 -65.1433 29.4772 -43.9743 -130.757 -43.9223 -11.1038 TIMING: 2307200 CPU: 7365.48, 0.00316775/step Wall: 7365.48, 0.00316775/step, 2.36947 hours remaining, 233.363281 MB of memory in use. ENERGY: 2307200 3970.5834 20517.2982 14619.2300 256.8073 -202896.6868 2258.3190 0.0000 0.0000 52185.2776 -109089.1714 299.9095 -161274.4490 -108723.9303 300.2175 -134.4341 -107.0598 761686.8188 -3.2787 -3.3648 PRESSURE: 2307400 -90.6952 137.563 -64.2568 137.564 -238.456 -65.5214 -64.2571 -65.5205 238.82 GPRESSURE: 2307400 12.3081 81.8688 -90.6281 165.902 -253.072 8.56586 -132.432 -116.34 225.284 PRESSAVG: 2307400 -12.4457 -31.9972 -8.50023 -31.9973 15.6754 -23.618 -8.50022 -23.6181 -21.0954 GPRESSAVG: 2307400 -10.8146 -32.7176 -8.26728 -32.0016 14.7709 -21.7499 -9.30053 -25.9553 -22.2875 TIMING: 2307400 CPU: 7366.11, 0.00315275/step Wall: 7366.11, 0.00315275/step, 2.35808 hours remaining, 233.363281 MB of memory in use. ENERGY: 2307400 4033.5311 20456.8880 14552.7115 230.4515 -203397.1802 2755.1570 0.0000 0.0000 52033.9779 -109334.4632 299.0400 -161368.4411 -108968.1754 299.7182 -30.1104 -5.1600 760840.7937 -5.9552 -6.1104 PRESSURE: 2307600 -148.53 105.432 13.1151 105.431 -3.47749 -40.1896 13.1148 -40.1895 -98.8312 GPRESSURE: 2307600 -91.3407 40.7904 121.404 46.0049 -10.6167 -31.5084 88.669 64.1049 -81.3382 PRESSAVG: 2307600 34.8013 -13.8092 -75.9525 -13.8091 -13.888 -56.7918 -75.9525 -56.7917 -10.7137 GPRESSAVG: 2307600 34.2252 -13.7729 -77.2915 -14.5789 -12.7869 -58.6327 -74.1236 -54.5105 -11.1641 TIMING: 2307600 CPU: 7366.74, 0.0031536/step Wall: 7366.74, 0.0031536/step, 2.35854 hours remaining, 233.363281 MB of memory in use. ENERGY: 2307600 3966.2829 20616.2750 14573.9118 252.2868 -203102.7184 2371.1909 0.0000 0.0000 51934.0977 -109388.6733 298.4660 -161322.7709 -109027.7980 299.7753 -83.6128 -61.0986 761133.9071 3.3999 3.4247 PRESSURE: 2307800 -344.792 -1.98288 -57.9122 -1.98271 382.014 -125.943 -57.9124 -125.942 37.0672 GPRESSURE: 2307800 -311.831 -5.00846 -44.2104 1.72988 323.869 -191.863 -153.978 -183.565 155.35 PRESSAVG: 2307800 40.0136 -42.5227 -41.3137 -42.5227 -37.2335 26.2148 -41.3138 26.2148 12.3849 GPRESSAVG: 2307800 40.8305 -42.4075 -40.1372 -42.4836 -38.6626 28.6826 -42.7191 23.4402 12.7594 TIMING: 2307800 CPU: 7367.37, 0.00315106/step Wall: 7367.37, 0.00315106/step, 2.35647 hours remaining, 233.363281 MB of memory in use. ENERGY: 2307800 3943.7177 20707.3834 14591.1990 256.5138 -203230.2940 2465.6111 0.0000 0.0000 51920.5197 -109345.3492 298.3879 -161265.8689 -108991.3099 299.0479 24.7631 55.7960 759980.0845 5.0550 4.9758 PRESSURE: 2308000 323.106 -80.7177 -109.163 -80.7185 135.885 -80.1018 -109.162 -80.1009 -238.046 GPRESSURE: 2308000 363.795 -39.3601 -73.1101 -67.8453 154.036 -7.32556 -74.3307 -69.6567 -208.793 PRESSAVG: 2308000 -53.8143 18.1567 -18.6294 18.1566 36.4822 -1.4371 -18.6294 -1.43716 7.48304 GPRESSAVG: 2308000 -54.5502 17.1504 -20.1199 20.1443 36.4298 -3.20874 -17.6243 0.871072 7.76619 TIMING: 2308000 CPU: 7368.01, 0.00317763/step Wall: 7368.01, 0.00317763/step, 2.37616 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 4029.5048 20475.7370 14463.9964 242.6627 -203373.1117 2663.3209 0.0000 0.0000 52288.5179 -109209.3720 300.5028 -161497.8899 -108849.3804 299.5655 73.6485 103.0126 760249.8905 -3.2830 -3.4514 PRESSURE: 2308200 85.4605 277.667 -218.509 277.667 -28.8806 46.7744 -218.508 46.7743 113.377 GPRESSURE: 2308200 71.8963 345.017 -213.747 221.984 55.5623 31.8598 -92.5002 88.7019 139.828 PRESSAVG: 2308200 -52.8437 -14.9033 20.1055 -14.9033 9.52534 10.2503 20.1054 10.2503 18.0085 GPRESSAVG: 2308200 -52.4931 -13.9288 20.8366 -16.8743 10.5658 8.02439 21.5272 9.20155 16.8976 TIMING: 2308200 CPU: 7368.65, 0.00318655/step Wall: 7368.65, 0.00318655/step, 2.38265 hours remaining, 233.363281 MB of memory in use. ENERGY: 2308200 4005.5047 20360.2564 14514.8684 236.1707 -203117.7615 2444.1271 0.0000 0.0000 52235.6479 -109321.1862 300.1990 -161556.8342 -108964.3239 299.9571 56.6521 89.0955 760334.4984 -8.4366 -8.3433 LDB: ============= START OF LOAD BALANCING ============== 7381.07 LDB: ============== END OF LOAD BALANCING =============== 7381.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.07 LDB: ============= START OF LOAD BALANCING ============== 7381.39 LDB: Largest compute 7033 load 0.035891 is 18.4% of average load 0.195509 LDB: Average compute 0.004410 is 2.3% of average load 0.195509 LDB: TIME 7381.4 LOAD: AVG 0.195509 MAX 0.215276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.918 MB LDB: TIME 7381.4 LOAD: AVG 0.195509 MAX 0.215276 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.918 MB LDB: TIME 7381.4 LOAD: AVG 0.195509 MAX 0.215276 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.918 MB LDB: ============== END OF LOAD BALANCING =============== 7381.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.4 PRESSURE: 2308400 -256.739 -186.449 -50.2128 -186.45 -327.323 -26.1531 -50.2125 -26.1535 107.59 GPRESSURE: 2308400 -249.901 -29.9383 -70.2173 -140.003 -292.027 21.0183 75.6438 -20.4942 141.975 PRESSAVG: 2308400 16.4074 -17.8905 -59.2159 -17.8905 -40.3011 12.4097 -59.2159 12.4097 4.0186 GPRESSAVG: 2308400 16.5895 -16.7863 -59.3133 -17.442 -42.2281 11.8503 -59.1954 12.8507 4.80336 TIMING: 2308400 CPU: 7369.3, 0.00326356/step Wall: 7369.3, 0.00326356/step, 2.44006 hours remaining, 231.769531 MB of memory in use. ENERGY: 2308400 3999.5218 20620.1878 14554.8636 257.0761 -203258.5976 2532.3755 0.0000 0.0000 52008.5763 -109285.9964 298.8940 -161294.5727 -108922.1580 299.6502 -158.8240 -133.3175 761272.3514 -6.6250 -6.9451 PRESSURE: 2308600 -96.0026 28.4385 -213.29 28.4384 48.1352 156.376 -213.29 156.375 277.465 GPRESSURE: 2308600 33.0283 -18.603 -192.657 8.01883 68.6169 268.396 -112.89 48.4022 205.437 PRESSAVG: 2308600 -30.6925 -95.5708 -25.9293 -95.5708 18.2858 14.9553 -25.9292 14.9553 -2.63486 GPRESSAVG: 2308600 -30.7787 -97.2779 -25.9104 -95.4563 18.5775 17.4386 -27.723 13.7332 -2.67791 TIMING: 2308600 CPU: 7369.94, 0.00320006/step Wall: 7369.94, 0.00320006/step, 2.3924 hours remaining, 231.769531 MB of memory in use. ENERGY: 2308600 4025.7461 20646.6108 14415.3762 241.8452 -203253.1943 2506.2077 0.0000 0.0000 52211.4149 -109205.9935 300.0597 -161417.4083 -108835.8383 299.5407 76.5326 102.3608 760814.9217 -5.0138 -4.9597 PRESSURE: 2308800 -89.0885 -256.397 206.091 -256.397 -123.09 -50.7311 206.091 -50.7308 39.2442 GPRESSURE: 2308800 47.1496 -279.464 259.432 -291.338 -132.967 -27.0495 153.496 29.9667 35.3218 PRESSAVG: 2308800 -0.591698 -51.9201 2.28965 -51.9201 -16.3586 -30.0955 2.28963 -30.0954 9.12002 GPRESSAVG: 2308800 -1.62028 -51.6456 2.78855 -52.9573 -16.2578 -30.5284 2.56576 -30.1242 10.3454 TIMING: 2308800 CPU: 7370.57, 0.00318232/step Wall: 7370.57, 0.00318232/step, 2.37896 hours remaining, 231.769531 MB of memory in use. ENERGY: 2308800 4024.4282 20576.7899 14562.4117 270.7777 -203896.2014 2859.4891 0.0000 0.0000 52216.2715 -109386.0334 300.0876 -161602.3048 -109022.8410 300.1728 -57.6447 -16.8318 760341.5527 -2.6101 -2.5109 PRESSURE: 2309000 37.4754 -12.3507 79.5459 -12.3511 -269.434 -228.987 79.5465 -228.986 201.819 GPRESSURE: 2309000 130.232 7.95701 52.1574 80.5163 -250.109 -162.867 119.33 -180.88 153.536 PRESSAVG: 2309000 39.5397 -37.8985 -41.8582 -37.8986 -17.3086 -3.80578 -41.8582 -3.80575 20.2883 GPRESSAVG: 2309000 41.0625 -38.5679 -41.8933 -36.8075 -17.503 -3.47004 -40.0315 -3.00957 18.4522 TIMING: 2309000 CPU: 7371.21, 0.00318474/step Wall: 7371.21, 0.00318474/step, 2.38059 hours remaining, 231.769531 MB of memory in use. ENERGY: 2309000 4039.0914 20780.5270 14590.5732 246.1595 -203194.5536 2387.9939 0.0000 0.0000 51859.2117 -109290.9969 298.0356 -161150.2086 -108935.2109 299.7071 -10.0465 11.2195 760246.8960 14.1731 14.0039 PRESSURE: 2309200 -192.175 -179.621 4.84689 -179.621 -32.198 16.8198 4.84615 16.8206 443.551 GPRESSURE: 2309200 -149.069 -65.9053 -47.112 -133.421 3.04934 -22.8087 -27.9086 -95.4395 445.212 PRESSAVG: 2309200 20.722 -61.794 -49.4191 -61.794 -27.0855 -54.7121 -49.4191 -54.7121 -11.7728 GPRESSAVG: 2309200 19.789 -60.9845 -49.6408 -62.9024 -26.0252 -55.2545 -49.4555 -55.0945 -11.4496 TIMING: 2309200 CPU: 7371.85, 0.00319585/step Wall: 7371.85, 0.00319585/step, 2.38872 hours remaining, 231.769531 MB of memory in use. ENERGY: 2309200 3977.9155 20713.0829 14565.3995 229.7261 -203370.2756 2519.5641 0.0000 0.0000 52282.2064 -109082.3811 300.4666 -161364.5875 -108718.4068 299.9796 73.0594 99.7307 760415.0129 -6.0454 -5.8953 PRESSURE: 2309400 -48.8637 -121.999 -56.4835 -121.999 -102.8 -191.856 -56.4836 -191.857 175.492 GPRESSURE: 2309400 11.4196 -105.638 -137.637 -228.275 -46.1498 -272.271 -89.9265 -162.84 136.103 PRESSAVG: 2309400 -1.98624 -40.6172 15.6035 -40.6172 -7.47833 -19.4153 15.6034 -19.4154 -19.8982 GPRESSAVG: 2309400 -1.29143 -39.3083 16.8499 -42.1527 -7.65852 -19.9686 12.9419 -18.394 -20.2937 TIMING: 2309400 CPU: 7372.49, 0.00317999/step Wall: 7372.49, 0.00317999/step, 2.37669 hours remaining, 231.769531 MB of memory in use. ENERGY: 2309400 4050.9599 20743.0656 14522.4924 247.2179 -203283.8813 2391.1068 0.0000 0.0000 52019.2996 -109309.7390 298.9556 -161329.0386 -108942.3437 299.7304 7.9426 33.7910 760696.4294 -9.7876 -9.7479 PRESSURE: 2309600 99.6251 -25.688 45.6371 -25.6878 -28.9035 229.851 45.6375 229.849 -29.2448 GPRESSURE: 2309600 18.5059 -131.695 75.9634 -69.8939 66.3394 267.274 99.4846 186.327 56.639 PRESSAVG: 2309600 37.4696 12.1598 11.0392 12.1598 -56.8045 29.5654 11.0392 29.5653 -2.02449 GPRESSAVG: 2309600 36.5448 12.4274 10.5983 13.5944 -56.789 30.5485 13.3745 27.5944 -0.682181 TIMING: 2309600 CPU: 7373.12, 0.00317401/step Wall: 7373.12, 0.00317401/step, 2.37205 hours remaining, 231.769531 MB of memory in use. ENERGY: 2309600 3961.3110 20484.9702 14572.2497 241.0202 -203172.1361 2576.6454 0.0000 0.0000 51836.0111 -109499.9286 297.9023 -161335.9397 -109129.2768 298.9732 13.8256 47.1614 759750.5989 -7.1198 -6.9754 PRESSURE: 2309800 -96.5092 -8.00326 -147.959 -8.00289 90.3536 -104.004 -147.958 -104.004 554.901 GPRESSURE: 2309800 0.457745 -66.7888 -105.229 88.4934 114.569 -140.129 -139.079 -60.7955 526.874 PRESSAVG: 2309800 8.73022 -38.333 -37.6151 -38.333 -10.6168 -14.7186 -37.6151 -14.7186 13.1434 GPRESSAVG: 2309800 9.01932 -39.405 -37.6414 -36.1943 -12.0258 -16.3209 -38.3288 -13.8316 13.9559 TIMING: 2309800 CPU: 7373.75, 0.00315087/step Wall: 7373.75, 0.00315087/step, 2.35458 hours remaining, 231.769531 MB of memory in use. ENERGY: 2309800 3918.7956 20624.8526 14473.9956 230.6709 -203520.2344 2732.6487 0.0000 0.0000 52256.7514 -109282.5196 300.3203 -161539.2710 -108925.5890 300.0945 182.9153 213.9667 761429.0753 3.7523 3.6498 PRESSURE: 2310000 -142.906 96.6198 126.337 96.6197 -200.047 52.139 126.337 52.138 532.801 GPRESSURE: 2310000 -131.441 88.5356 116.585 133.774 -172.29 93.3007 34.9595 43.5942 573.305 PRESSAVG: 2310000 -0.0120453 -1.31193 15.6038 -1.31197 -51.0485 26.8489 15.6038 26.849 0.7798 GPRESSAVG: 2310000 1.12787 -2.1551 13.9897 -1.99539 -50.7396 28.2836 16.4594 28.6136 -0.842677 TIMING: 2310000 CPU: 7374.39, 0.00318034/step Wall: 7374.39, 0.00318034/step, 2.37642 hours remaining, 231.769531 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: 2310000 3993.5816 20534.7897 14476.7739 237.6285 -203895.8106 2929.3663 0.0000 0.0000 52256.1337 -109467.5368 300.3167 -161723.6706 -109103.5213 300.0278 63.2827 89.8581 760359.2338 -16.7602 -16.8181 PRESSURE: 2310200 -199.429 -35.2346 144.833 -35.2349 -446.015 -67.0699 144.834 -67.069 -323.708 GPRESSURE: 2310200 -247.249 -38.5634 161.674 -96.6997 -297.458 -186.357 143.935 -123.686 -351.208 PRESSAVG: 2310200 61.1362 -46.0972 -35.3386 -46.0972 6.57953 16.8589 -35.3387 16.8589 -14.4436 GPRESSAVG: 2310200 60.4464 -43.2936 -33.8567 -46.2688 7.94369 15.7825 -36.7881 13.165 -14.7757 TIMING: 2310200 CPU: 7375.02, 0.00317877/step Wall: 7375.02, 0.00317877/step, 2.37507 hours remaining, 231.769531 MB of memory in use. ENERGY: 2310200 4033.6112 20659.6505 14547.5983 236.9873 -203632.3895 2612.8152 0.0000 0.0000 52030.5681 -109511.1589 299.0204 -161541.7270 -109139.7095 299.5224 -323.0507 -298.6380 760549.0023 17.7574 17.8715 PRESSURE: 2310400 -227.939 62.3608 -51.8437 62.3616 -67.2164 -58.0758 -51.8435 -58.0758 91.4707 GPRESSURE: 2310400 -132.431 64.6484 -51.0299 -114.331 -89.6021 -71.9339 -8.78794 4.16505 99.9951 PRESSAVG: 2310400 54.5277 -40.0658 -7.29644 -40.0658 -30.5643 35.2493 -7.29645 35.2493 -23.5431 GPRESSAVG: 2310400 55.0353 -39.9546 -6.85478 -41.0407 -31.6988 35.4785 -4.71497 36.5388 -22.0616 TIMING: 2310400 CPU: 7375.65, 0.00315685/step Wall: 7375.65, 0.00315685/step, 2.35852 hours remaining, 231.769531 MB of memory in use. ENERGY: 2310400 4067.0728 20525.1531 14526.0388 246.2075 -203581.1308 2660.6383 0.0000 0.0000 52089.1295 -109466.8909 299.3569 -161556.0203 -109106.0818 299.5351 -67.8948 -40.6793 759776.1587 0.1401 0.4250 PRESSURE: 2310600 233.765 -94.4066 16.1721 -94.4062 115.986 -49.4303 16.1715 -49.4302 -17.9912 GPRESSURE: 2310600 241.894 -52.9612 -73.5118 -101.576 74.9319 -34.5961 9.91785 -62.1654 98.3347 PRESSAVG: 2310600 77.49 -8.14068 -16.8536 -8.14067 -34.8188 28.1605 -16.8535 28.1606 14.1689 GPRESSAVG: 2310600 76.8812 -8.96838 -15.963 -8.30095 -32.8987 27.4742 -18.398 28.2908 12.7553 TIMING: 2310600 CPU: 7376.29, 0.00316402/step Wall: 7376.29, 0.00316401/step, 2.36369 hours remaining, 231.769531 MB of memory in use. ENERGY: 2310600 3946.5862 20646.0464 14509.6392 245.7151 -203417.4048 2317.5690 0.0000 0.0000 52294.8246 -109457.0243 300.5391 -161751.8488 -109086.9417 300.0458 110.5865 138.3868 759703.6632 18.9467 18.9126 PRESSURE: 2310800 -6.33856 31.9487 10.9855 31.9473 -399.946 33.5785 10.9853 33.5791 57.7358 GPRESSURE: 2310800 -52.2173 36.182 40.4104 22.4698 -278.647 -18.863 -3.34387 17.1984 64.0304 PRESSAVG: 2310800 5.96697 3.55702 -9.90374 3.55709 -40.4146 30.8043 -9.90372 30.8044 -8.66629 GPRESSAVG: 2310800 6.43352 3.6402 -11.3146 4.99686 -41.0357 31.8408 -9.58309 31.9243 -8.52606 TIMING: 2310800 CPU: 7376.92, 0.00317497/step Wall: 7376.92, 0.00317497/step, 2.37171 hours remaining, 231.769531 MB of memory in use. ENERGY: 2310800 4057.6966 20622.7742 14551.0659 241.6056 -203718.9271 2714.8652 0.0000 0.0000 52063.1750 -109467.7445 299.2078 -161530.9195 -109109.4271 299.5191 -116.1828 -88.9446 760372.5229 -14.3713 -14.3761 PRESSURE: 2311000 184.25 -59.2434 42.1411 -59.2443 -360.614 60.5619 42.1417 60.5623 102.269 GPRESSURE: 2311000 248.687 -19.6143 -29.7205 -28.3805 -366.068 84.6297 113.637 35.0537 126.57 PRESSAVG: 2311000 36.3908 41.8864 -15.9873 41.8864 -33.5442 -1.64989 -15.9873 -1.6498 -10.6849 GPRESSAVG: 2311000 35.3733 41.565 -16.8408 40.0194 -32.6236 -1.52044 -15.5057 -1.00011 -10.1747 TIMING: 2311000 CPU: 7377.56, 0.00318408/step Wall: 7377.56, 0.00318408/step, 2.37833 hours remaining, 231.769531 MB of memory in use. ENERGY: 2311000 4026.8115 20488.7190 14461.5850 236.7099 -203497.8518 2573.4691 0.0000 0.0000 52232.4487 -109478.1086 300.1806 -161710.5572 -109110.4637 299.0383 -24.6981 3.0630 759392.5724 -2.6128 -2.4750 PRESSURE: 2311200 134.783 93.3685 -27.1409 93.3692 -95.235 81.5729 -27.1405 81.5727 -4.56439 GPRESSURE: 2311200 222.474 166.707 43.3535 101.228 -93.6962 126.459 26.583 27.8895 16.8537 PRESSAVG: 2311200 75.3519 36.442 15.4882 36.4419 -86.7822 -61.9212 15.4883 -61.9213 13.6068 GPRESSAVG: 2311200 75.8119 36.5162 16.3199 35.4094 -87.7501 -60.899 15.2042 -64.0345 14.0606 TIMING: 2311200 CPU: 7378.2, 0.00322047/step Wall: 7378.2, 0.00322047/step, 2.40533 hours remaining, 231.769531 MB of memory in use. ENERGY: 2311200 4071.0831 20500.0982 14498.3201 232.5514 -203532.8644 2604.2071 0.0000 0.0000 52153.7946 -109472.8100 299.7286 -161626.6045 -109109.5423 299.6776 11.6611 48.5438 759796.7488 0.7255 0.7075 PRESSURE: 2311400 194.636 -137.204 89.2738 -137.205 -79.2052 175.382 89.2735 175.382 330.344 GPRESSURE: 2311400 159.797 -109.569 129.186 -129.994 -26.7478 262.856 -22.4965 163.433 382.156 PRESSAVG: 2311400 -5.80752 44.3235 56.3468 44.3236 -21.4951 -27.574 56.3468 -27.574 4.05344 GPRESSAVG: 2311400 -5.46396 43.0964 56.4127 46.1798 -22.0074 -30.2051 54.0924 -25.1103 3.67287 TIMING: 2311400 CPU: 7378.84, 0.00317362/step Wall: 7378.84, 0.00317362/step, 2.37016 hours remaining, 231.769531 MB of memory in use. ENERGY: 2311400 3982.5661 20700.6232 14564.3235 278.9576 -203309.4716 2540.2951 0.0000 0.0000 51915.8005 -109326.9055 298.3608 -161242.7060 -108964.5583 299.6581 148.5917 171.7351 760507.1697 -7.7497 -7.9328 PRESSURE: 2311600 -166.865 -78.8782 -14.7044 -78.8783 29.6895 -124.507 -14.7045 -124.507 -265.515 GPRESSURE: 2311600 -138.895 -253.834 91.4711 -21.3751 13.1089 -100.527 53.0647 -153.388 -202.3 PRESSAVG: 2311600 27.1629 -10.9844 -1.91364 -10.9845 -32.2237 7.21135 -1.91368 7.21133 4.27083 GPRESSAVG: 2311600 26.6501 -9.24496 -1.47684 -11.1398 -33.0339 7.34857 -1.45328 8.32892 4.87905 TIMING: 2311600 CPU: 7379.47, 0.00317765/step Wall: 7379.47, 0.00317765/step, 2.373 hours remaining, 231.769531 MB of memory in use. ENERGY: 2311600 4058.4850 20755.9620 14578.9645 233.7795 -203457.3566 2420.2041 0.0000 0.0000 51970.7338 -109439.2278 298.6765 -161409.9616 -109084.6558 299.7710 -134.2301 -109.3620 760332.3065 -0.2633 -0.5016 PRESSURE: 2311800 -109.958 199.153 -113.975 199.153 -186.649 73.2229 -113.975 73.2228 55.3554 GPRESSURE: 2311800 -47.9889 285.212 -113.395 77.8302 -119.006 134.623 -46.6133 83.9322 28.3397 PRESSAVG: 2311800 -26.373 -4.72345 20.1719 -4.72343 23.2746 2.94721 20.1719 2.94719 -4.66673 GPRESSAVG: 2311800 -26.6272 -5.89758 20.457 -4.26729 24.2632 4.43981 21.3968 -0.506417 -5.76004 TIMING: 2311800 CPU: 7380.11, 0.00317778/step Wall: 7380.11, 0.00317778/step, 2.37292 hours remaining, 231.769531 MB of memory in use. ENERGY: 2311800 4039.6916 20584.3507 14607.2114 246.9349 -202860.3971 2142.7387 0.0000 0.0000 51863.0472 -109376.4225 298.0576 -161239.4697 -109016.3316 299.3862 -80.4170 -46.2185 760966.5803 -2.5884 -2.7080 PRESSURE: 2312000 -90.4732 168.272 -63.3755 168.272 228.154 -7.54088 -63.3752 -7.54048 30.1723 GPRESSURE: 2312000 -0.929527 251.696 -54.6081 190.126 242.141 110.798 -63.2161 4.80101 10.3337 PRESSAVG: 2312000 11.4628 16.3642 -0.573082 16.3642 31.5489 20.4021 -0.573031 20.4021 16.3372 GPRESSAVG: 2312000 11.3641 17.1248 -1.13126 14.3056 31.6318 20.1245 -2.63757 22.9393 16.8278 TIMING: 2312000 CPU: 7380.75, 0.00318472/step Wall: 7380.75, 0.00318472/step, 2.37793 hours remaining, 231.769531 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: 2312000 4024.3758 20458.9551 14561.6111 236.8281 -203620.7947 2594.7648 0.0000 0.0000 52240.1009 -109504.1590 300.2246 -161744.2599 -109137.0364 299.5020 55.9511 83.8483 761402.6402 19.7830 19.9413 PRESSURE: 2312200 -17.8932 6.2927 71.4339 6.29268 35.6757 69.4996 71.4337 69.4993 184.658 GPRESSURE: 2312200 -19.6645 103.325 95.5809 -43.365 41.769 -6.44944 65.1345 119.714 268.403 PRESSAVG: 2312200 -0.288565 36.6261 -54.841 36.6261 -1.64393 11.0565 -54.841 11.0564 -1.82615 GPRESSAVG: 2312200 0.316399 38.1808 -55.2831 36.3385 -2.88012 11.9745 -53.6483 7.70543 -2.39363 TIMING: 2312200 CPU: 7381.38, 0.00318567/step Wall: 7381.38, 0.00318567/step, 2.37846 hours remaining, 231.769531 MB of memory in use. ENERGY: 2312200 3987.0269 20611.6145 14443.9691 250.0559 -203303.4554 2488.2978 0.0000 0.0000 51989.0562 -109533.4351 298.7818 -161522.4913 -109173.0432 298.8529 67.4802 96.8358 761069.7546 -1.2529 -1.6525 LDB: ============= START OF LOAD BALANCING ============== 7393.81 LDB: ============== END OF LOAD BALANCING =============== 7393.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7393.81 LDB: ============= START OF LOAD BALANCING ============== 7394.13 LDB: Largest compute 7033 load 0.032398 is 16.6% of average load 0.195423 LDB: Average compute 0.004390 is 2.2% of average load 0.195423 LDB: TIME 7394.13 LOAD: AVG 0.195423 MAX 0.21645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.816 MB LDB: TIME 7394.13 LOAD: AVG 0.195423 MAX 0.21645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: TIME 7394.13 LOAD: AVG 0.195423 MAX 0.21645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: ============== END OF LOAD BALANCING =============== 7394.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7394.14 PRESSURE: 2312400 -9.19361 -72.0387 -24.6286 -72.0382 348.853 -29.2318 -24.6301 -29.2315 78.0042 GPRESSURE: 2312400 59.4863 -108.063 38.7299 -26.6744 353.637 -95.1344 63.1255 -125.51 114.814 PRESSAVG: 2312400 -22.2819 -5.90035 -27.8955 -5.90036 -6.92828 -18.4443 -27.8955 -18.4443 22.221 GPRESSAVG: 2312400 -23.1914 -7.26999 -25.9673 -5.88915 -5.37023 -18.051 -26.6913 -17.7178 21.6407 TIMING: 2312400 CPU: 7382.03, 0.0032543/step Wall: 7382.03, 0.0032543/step, 2.42951 hours remaining, 233.871094 MB of memory in use. ENERGY: 2312400 3942.7951 20500.8449 14512.5705 259.2981 -203658.2582 2620.7981 0.0000 0.0000 52111.7422 -109710.2093 299.4869 -161821.9514 -109361.6191 298.8823 139.2212 175.9792 761273.8267 -2.3298 -2.3070 PRESSURE: 2312600 23.6527 8.69352 56.4188 8.69428 160.008 229.105 56.4197 229.105 -22.7319 GPRESSURE: 2312600 125.661 18.1578 70.2281 91.4057 167.688 199.182 -24.5716 277.067 -44.0135 PRESSAVG: 2312600 -1.61076 -52.7812 12.3375 -52.7812 -1.38754 18.7229 12.3375 18.7228 2.92107 GPRESSAVG: 2312600 -1.84205 -53.6326 11.6832 -51.5402 -1.60933 17.6526 11.0555 19.4183 3.87307 TIMING: 2312600 CPU: 7382.67, 0.0032016/step Wall: 7382.67, 0.0032016/step, 2.38999 hours remaining, 233.871094 MB of memory in use. ENERGY: 2312600 3954.0033 20487.5620 14468.1056 235.9157 -203451.0363 2597.6875 0.0000 0.0000 52141.9942 -109565.7680 299.6608 -161707.7622 -109209.9987 299.0256 53.6429 83.1120 761097.7210 -0.0257 0.1406 PRESSURE: 2312800 71.4347 -232.08 49.7162 -232.079 343.005 -1.59331 49.7175 -1.59334 261.569 GPRESSURE: 2312800 183.82 -121.269 24.6252 -139.827 225.313 -46.306 92.8615 -5.8742 347.538 PRESSAVG: 2312800 -11.3916 -101.866 -49.28 -101.866 2.35366 -9.18472 -49.28 -9.18472 -20.6382 GPRESSAVG: 2312800 -11.2823 -101.426 -49.9627 -101.053 2.41447 -7.46742 -48.6948 -9.39008 -21.0797 TIMING: 2312800 CPU: 7383.31, 0.00319399/step Wall: 7383.31, 0.00319399/step, 2.38413 hours remaining, 233.871094 MB of memory in use. ENERGY: 2312800 3921.1811 20489.9282 14519.0830 250.2794 -203337.1370 2569.7714 0.0000 0.0000 52060.4368 -109526.4572 299.1920 -161586.8940 -109172.5943 299.6742 225.3363 252.2236 761003.5822 -9.8920 -9.9825 PRESSURE: 2313000 55.7012 -60.8376 109.947 -60.838 306.254 195.362 109.947 195.362 -20.6549 GPRESSURE: 2313000 137.402 -150.675 130.861 -135.724 315.379 112.267 114.185 103.295 -19.2868 PRESSAVG: 2313000 -13.6555 -34.9483 -59.1937 -34.9484 -34.591 40.8299 -59.1937 40.8299 3.0954 GPRESSAVG: 2313000 -14.7671 -34.6904 -59.1818 -36.9769 -33.2211 38.6098 -60.025 40.2999 3.01764 TIMING: 2313000 CPU: 7383.96, 0.00322299/step Wall: 7383.96, 0.00322299/step, 2.4056 hours remaining, 233.871094 MB of memory in use. ENERGY: 2313000 3975.4954 20310.2359 14568.8505 251.5761 -203423.0360 2565.1729 0.0000 0.0000 52082.7615 -109668.9437 299.3203 -161751.7052 -109308.7650 298.7089 113.7666 144.4978 761918.2368 -15.0504 -14.9902 PRESSURE: 2313200 2.07172 262.345 -167.612 262.345 -338.171 -197.571 -167.612 -197.571 -239.605 GPRESSURE: 2313200 -68.9775 165.497 -98.2895 189.193 -246.056 -267.533 -120.337 -68.6828 -163.556 PRESSAVG: 2313200 26.7545 39.2371 -24.2297 39.2371 2.33965 8.29674 -24.2296 8.29676 -22.0933 GPRESSAVG: 2313200 27.1735 39.4573 -24.1372 40.2446 1.60599 9.1939 -23.6222 9.55384 -21.2638 TIMING: 2313200 CPU: 7384.6, 0.00320238/step Wall: 7384.6, 0.00320238/step, 2.39004 hours remaining, 233.871094 MB of memory in use. ENERGY: 2313200 3892.5453 20382.7335 14522.2718 229.7195 -203242.6819 2305.3895 0.0000 0.0000 51995.1537 -109914.8686 298.8169 -161910.0223 -109550.7424 298.0591 -191.9016 -159.5297 761652.2313 2.3336 2.5052 PRESSURE: 2313400 182.243 -270.904 -183.328 -270.903 -31.3832 -210.58 -183.326 -210.579 -220.176 GPRESSURE: 2313400 375.168 -280.423 -254.226 -60.5201 -78.7984 -210.552 -21.7977 -92.9913 -279.1 PRESSAVG: 2313400 -35.8478 -22.3797 -31.3301 -22.3796 -4.66525 -64.8089 -31.3302 -64.8089 -23.592 GPRESSAVG: 2313400 -34.9592 -21.8083 -31.0316 -22.8492 -4.49889 -64.9924 -29.4917 -63.9406 -25.1354 TIMING: 2313400 CPU: 7385.23, 0.00317582/step Wall: 7385.23, 0.00317582/step, 2.37004 hours remaining, 233.871094 MB of memory in use. ENERGY: 2313400 3995.1826 20559.5794 14569.6125 247.1540 -203777.2334 2712.9927 0.0000 0.0000 51984.0548 -109708.6574 298.7531 -161692.7122 -109354.2315 298.6577 -23.1056 5.7567 760749.8529 -21.3683 -21.5312 PRESSURE: 2313600 282.254 -30.8048 -247.537 -30.8048 77.434 75.7283 -247.537 75.7284 -160.686 GPRESSURE: 2313600 193.891 -137.463 -180.994 13.6493 173.824 81.2624 -153.373 18.9288 -82.6635 PRESSAVG: 2313600 30.9887 -5.76315 -50.2276 -5.76317 -23.3217 -66.8035 -50.2276 -66.8035 4.41449 GPRESSAVG: 2313600 30.0645 -6.56993 -50.6494 -6.03681 -23.5483 -67.9962 -52.0535 -66.226 5.88408 TIMING: 2313600 CPU: 7385.87, 0.00316202/step Wall: 7385.87, 0.00316202/step, 2.35957 hours remaining, 233.871094 MB of memory in use. ENERGY: 2313600 4018.4189 20449.6842 14556.3774 274.8441 -203582.6067 2679.4833 0.0000 0.0000 51882.8674 -109720.9314 298.1716 -161603.7988 -109367.9789 298.8814 66.3339 95.0174 761122.8984 4.0272 4.1334 PRESSURE: 2313800 -73.2761 -61.6117 259.24 -61.6112 29.0307 87.034 259.24 87.0335 95.0044 GPRESSURE: 2313800 -64.973 -43.312 74.6101 -86.4574 27.0697 13.029 231.449 197.74 176.59 PRESSAVG: 2313800 90.3176 -22.4039 -24.4778 -22.4039 -17.2319 -21.5402 -24.4777 -21.5403 -11.4931 GPRESSAVG: 2313800 89.2213 -20.3474 -24.6222 -22.8759 -16.9221 -21.7202 -22.7796 -22.9291 -10.3758 TIMING: 2313800 CPU: 7386.5, 0.00317252/step Wall: 7386.5, 0.00317252/step, 2.36723 hours remaining, 233.871094 MB of memory in use. ENERGY: 2313800 3915.3432 20558.9245 14521.2566 252.3581 -203492.0433 2799.3790 0.0000 0.0000 51839.0331 -109605.7488 297.9196 -161444.7819 -109252.0022 298.6314 16.9197 46.2288 761798.0913 20.5309 20.6411 PRESSURE: 2314000 -38.6041 44.8933 79.9445 44.8928 -47.3315 -36.0034 79.9439 -36.003 -223.949 GPRESSURE: 2314000 27.4641 42.7543 36.3283 61.2255 -103.966 6.07067 64.6642 -21.2406 -148.501 PRESSAVG: 2314000 -14.9648 -13.6941 -27.4153 -13.6941 -28.1851 -6.95414 -27.4152 -6.95407 10.9173 GPRESSAVG: 2314000 -13.1202 -15.69 -28.371 -12.5726 -28.2603 -4.01223 -30.2957 -7.5246 9.56572 TIMING: 2314000 CPU: 7387.14, 0.00318426/step Wall: 7387.14, 0.00318426/step, 2.37581 hours remaining, 233.871094 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: 2314000 3940.2332 20505.4357 14511.2467 243.3136 -203144.9900 2538.8377 0.0000 0.0000 51890.3888 -109515.5344 298.2148 -161405.9231 -109148.0525 298.3996 -103.2948 -75.0008 761769.9230 -10.7442 -10.6049 PRESSURE: 2314200 566.804 -38.7568 -56.4071 -38.7571 213.973 -220.725 -56.4065 -220.725 -138.25 GPRESSURE: 2314200 561.807 -75.5813 7.48715 90.366 303.118 -189.697 65.6285 -241.015 -129.526 PRESSAVG: 2314200 28.8601 -21.0858 -33.1934 -21.0858 1.46097 -18.8132 -33.1935 -18.8133 16.2756 GPRESSAVG: 2314200 27.9731 -19.9289 -31.0066 -20.6131 1.1659 -21.1694 -31.4024 -17.386 17.1016 TIMING: 2314200 CPU: 7387.77, 0.00316853/step Wall: 7387.77, 0.00316853/step, 2.3639 hours remaining, 233.871094 MB of memory in use. ENERGY: 2314200 3956.3072 20471.0929 14511.7331 235.2824 -203222.0236 2585.8532 0.0000 0.0000 51987.3933 -109474.3614 298.7723 -161461.7548 -109112.3782 298.9266 214.1759 245.1330 759889.6056 15.5322 15.4135 PRESSURE: 2314400 -183.693 174.416 527.998 174.416 87.2923 184.589 527.997 184.589 136.71 GPRESSURE: 2314400 -27.6496 196.693 408.326 9.21234 46.7251 198.436 495.234 286.138 113.73 PRESSAVG: 2314400 89.095 -12.1247 -8.2855 -12.1247 -67.4649 23.5985 -8.28556 23.5985 -32.0115 GPRESSAVG: 2314400 91.3338 -10.8096 -9.96618 -13.0721 -68.9752 24.8237 -11.0822 21.4329 -33.0412 TIMING: 2314400 CPU: 7388.4, 0.00316326/step Wall: 7388.4, 0.00316326/step, 2.3598 hours remaining, 233.871094 MB of memory in use. ENERGY: 2314400 3938.2763 20268.9363 14453.9509 258.6104 -203052.4493 2553.1741 0.0000 0.0000 52184.6411 -109394.8602 299.9058 -161579.5014 -109022.3442 299.2207 13.4362 44.2686 760754.4681 -3.4605 -3.5609 PRESSURE: 2314600 107.6 -147.731 42.9519 -147.731 14.2616 0.427654 42.9525 0.427314 400.73 GPRESSURE: 2314600 101.787 -116.736 78.2185 -109.173 101.892 -0.726249 31.7994 -81.3667 422.597 PRESSAVG: 2314600 -28.5996 -25.7589 -23.7475 -25.7589 2.63713 4.42896 -23.7475 4.42897 10.1831 GPRESSAVG: 2314600 -30.6566 -27.1714 -23.4358 -24.6824 4.07733 4.77436 -20.4104 6.23917 10.1068 TIMING: 2314600 CPU: 7389.04, 0.00317738/step Wall: 7389.04, 0.00317738/step, 2.37015 hours remaining, 233.871094 MB of memory in use. ENERGY: 2314600 3881.2380 20577.1571 14516.9931 241.7045 -202949.8460 2225.9320 0.0000 0.0000 52131.2827 -109375.5388 299.5992 -161506.8214 -109017.3524 299.5572 174.1970 208.7585 762085.6862 -5.2598 -5.4908 PRESSURE: 2314800 -116.757 -57.0583 -15.2343 -57.0584 -362.102 94.6375 -15.2337 94.6377 -407.814 GPRESSURE: 2314800 4.22547 -15.1913 -40.0729 -64.0514 -359.018 160.936 -115.132 97.6899 -438.107 PRESSAVG: 2314800 32.4379 -32.2323 5.86786 -32.2322 -42.2803 14.5572 5.86781 14.5572 -10.3498 GPRESSAVG: 2314800 32.6291 -31.9318 6.12755 -31.2856 -43.2828 14.2892 4.85994 12.4515 -9.95685 TIMING: 2314800 CPU: 7389.67, 0.00315148/step Wall: 7389.67, 0.00315148/step, 2.35066 hours remaining, 233.871094 MB of memory in use. ENERGY: 2314800 3945.6223 20568.6313 14543.8805 222.6828 -203482.9222 2538.0022 0.0000 0.0000 52087.3234 -109576.7796 299.3466 -161664.1030 -109217.8223 299.4826 -295.5578 -264.2995 761623.5412 -6.7307 -6.8702 PRESSURE: 2315000 71.8619 32.7542 -220.678 32.7531 -315.999 116.197 -220.678 116.196 136.785 GPRESSURE: 2315000 -6.01541 -2.10488 -166.136 51.4786 -147.006 142.294 -170.174 8.44312 140.393 PRESSAVG: 2315000 47.3795 15.6089 -13.9761 15.609 -46.6103 9.55538 -13.9761 9.55546 -9.99527 GPRESSAVG: 2315000 45.944 14.7228 -12.8978 14.6519 -45.2986 8.45671 -12.5173 11.9007 -9.40846 TIMING: 2315000 CPU: 7390.3, 0.00314945/step Wall: 7390.3, 0.00314945/step, 2.34897 hours remaining, 233.871094 MB of memory in use. ENERGY: 2315000 3911.9692 20585.9043 14451.2889 252.0821 -202964.1243 2224.6699 0.0000 0.0000 52076.7937 -109461.4161 299.2860 -161538.2099 -109096.6779 299.4571 -35.7838 -4.2096 761069.4807 -3.0754 -2.9210 PRESSURE: 2315200 -445.877 196.859 -45.5775 196.86 -211.523 -83.1627 -45.5781 -83.1622 305.451 GPRESSURE: 2315200 -318.648 118.152 -10.023 193.288 -226.963 -65.6737 -9.69994 -77.6601 270.606 PRESSAVG: 2315200 11.3989 0.207918 -44.4879 0.207964 -14.7715 33.2857 -44.4879 33.2857 -16.4698 GPRESSAVG: 2315200 11.29 0.753078 -45.6241 -0.271843 -15.0111 34.6073 -45.3441 31.7213 -16.3319 TIMING: 2315200 CPU: 7390.93, 0.00316265/step Wall: 7390.93, 0.00316265/step, 2.35863 hours remaining, 233.871094 MB of memory in use. ENERGY: 2315200 3930.4393 20715.9660 14545.4201 250.7446 -202959.6356 2083.1665 0.0000 0.0000 51696.6734 -109737.2258 297.1015 -161433.8991 -109388.7536 299.5962 -117.3162 -91.6684 761575.7615 -6.6141 -6.6843 PRESSURE: 2315400 -521.437 145.863 -247.85 145.862 -69.0993 -3.27942 -247.85 -3.2799 137.376 GPRESSURE: 2315400 -452.394 49.5525 -166.167 84.7526 -62.0583 -37.7923 -188.657 -36.6514 148.88 PRESSAVG: 2315400 27.8895 14.0514 -34.3403 14.0515 -31.3376 9.47321 -34.3403 9.4732 16.5319 GPRESSAVG: 2315400 29.6504 13.229 -33.8367 14.6376 -31.6587 8.33769 -35.7964 10.8132 15.6624 TIMING: 2315400 CPU: 7391.57, 0.00317664/step Wall: 7391.57, 0.00317664/step, 2.36889 hours remaining, 233.871094 MB of memory in use. ENERGY: 2315400 3964.8160 20597.7922 14460.6683 235.9327 -203513.4751 2643.4338 0.0000 0.0000 52032.1242 -109578.7079 299.0293 -161610.8320 -109217.7817 298.8698 -151.0535 -121.8572 760463.4634 4.3613 4.5513 PRESSURE: 2315600 -236.516 -51.2614 -69.438 -51.2614 -146.368 85.8758 -69.4384 85.8763 194.774 GPRESSURE: 2315600 -158.997 -23.4032 14.6453 -98.9898 -157.487 120.657 -142.395 8.55027 207.608 PRESSAVG: 2315600 32.2253 -7.90135 -3.27084 -7.90129 -48.8344 -11.3918 -3.27088 -11.3916 -22.1224 GPRESSAVG: 2315600 31.3489 -6.0646 -3.27612 -10.5848 -48.0088 -12.9741 -2.4196 -11.3185 -21.6656 TIMING: 2315600 CPU: 7392.2, 0.00315733/step Wall: 7392.2, 0.00315733/step, 2.35432 hours remaining, 233.871094 MB of memory in use. ENERGY: 2315600 3938.5975 20522.0223 14464.0898 243.9987 -203307.2153 2429.9872 0.0000 0.0000 52157.0724 -109551.4475 299.7474 -161708.5200 -109176.0749 299.1606 -62.7034 -36.2922 759948.0522 -12.9105 -12.7752 PRESSURE: 2315800 -73.9933 -54.0348 56.8237 -54.0345 -21.4243 -123.831 56.8235 -123.831 327.061 GPRESSURE: 2315800 -7.59224 82.7787 -13.5764 -55.8511 -16.528 -183.811 -36.8827 13.3231 341.229 PRESSAVG: 2315800 39.6217 9.77025 38.8742 9.77022 -38.5676 26.0352 38.8742 26.0351 -16.6934 GPRESSAVG: 2315800 39.7199 7.46044 38.4234 11.662 -38.9144 28.4024 39.192 25.1605 -16.6392 TIMING: 2315800 CPU: 7392.83, 0.00314796/step Wall: 7392.83, 0.00314796/step, 2.34715 hours remaining, 233.871094 MB of memory in use. ENERGY: 2315800 4053.2930 20403.5540 14529.6133 243.8827 -203045.7333 2454.2962 0.0000 0.0000 51831.5753 -109529.5187 297.8768 -161361.0940 -109165.1289 299.6574 77.2145 105.7030 759993.7601 -5.2131 -5.2779 PRESSURE: 2316000 207.758 -32.2648 -44.1121 -32.2654 42.6211 129.198 -44.1126 129.198 1.24209 GPRESSURE: 2316000 319.049 -141.075 -35.1737 -52.6926 97.6745 104.35 -10.9512 115.332 -62.9062 PRESSAVG: 2316000 73.1581 -46.0565 -14.2323 -46.0565 -46.6859 -6.15812 -14.2323 -6.15809 23.6133 GPRESSAVG: 2316000 74.0045 -45.3768 -15.1681 -45.4709 -46.4863 -8.11483 -14.6513 -4.24943 23.1053 TIMING: 2316000 CPU: 7393.46, 0.00315618/step Wall: 7393.46, 0.00315618/step, 2.35311 hours remaining, 233.871094 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: 2316000 4058.1878 20519.3127 14615.1093 251.9403 -203977.2398 2769.5519 0.0000 0.0000 52304.0189 -109459.1189 300.5919 -161763.1378 -109111.3787 299.6828 83.8736 117.9389 758128.4852 16.6952 16.8745 PRESSURE: 2316200 200.873 -24.2692 37.3293 -24.269 290.039 -25.2323 37.3288 -25.232 512.727 GPRESSURE: 2316200 310.936 127.568 -28.0917 -50.4816 288.002 72.8418 -46.8047 -32.8533 485.744 PRESSAVG: 2316200 134.748 -13.9762 15.329 -13.9762 -44.8119 -2.27391 15.329 -2.27389 20.1955 GPRESSAVG: 2316200 134.373 -13.2525 16.4484 -13.6451 -44.7347 -0.164291 11.7651 -2.54984 19.9831 TIMING: 2316200 CPU: 7394.09, 0.00315222/step Wall: 7394.09, 0.00315222/step, 2.34998 hours remaining, 233.871094 MB of memory in use. ENERGY: 2316200 4009.7919 20460.1409 14573.8481 221.3193 -203566.7554 2622.8598 0.0000 0.0000 52169.1373 -109509.6580 299.8167 -161678.7954 -109141.6956 299.5856 334.5465 361.5607 758795.4300 36.7106 36.5405 LDB: ============= START OF LOAD BALANCING ============== 7406.51 LDB: ============== END OF LOAD BALANCING =============== 7406.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.51 LDB: ============= START OF LOAD BALANCING ============== 7406.83 LDB: Largest compute 7025 load 0.034303 is 17.5% of average load 0.195514 LDB: Average compute 0.004377 is 2.2% of average load 0.195514 LDB: TIME 7406.83 LOAD: AVG 0.195514 MAX 0.214165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.961 MB LDB: TIME 7406.83 LOAD: AVG 0.195514 MAX 0.214165 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: TIME 7406.83 LOAD: AVG 0.195514 MAX 0.214165 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: ============== END OF LOAD BALANCING =============== 7406.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.84 PRESSURE: 2316400 -84.7656 -115.574 -71.6701 -115.575 -307.154 -16.3135 -71.6702 -16.3134 -2.84625 GPRESSURE: 2316400 -62.5549 -31.9907 -84.6022 76.1037 -259.113 62.2604 -21.8173 -23.3937 3.02082 PRESSAVG: 2316400 79.5983 -41.5929 12.9312 -41.5929 -31.8815 27.0935 12.9312 27.0936 -7.8338 GPRESSAVG: 2316400 79.1386 -41.328 12.5585 -41.6428 -32.2846 27.0565 16.023 26.506 -7.67224 TIMING: 2316400 CPU: 7394.73, 0.00320971/step Wall: 7394.73, 0.00320971/step, 2.39266 hours remaining, 234.773438 MB of memory in use. ENERGY: 2316400 4110.4643 20578.0648 14485.1072 237.6283 -203351.6797 2319.8970 0.0000 0.0000 52000.1820 -109620.3363 298.8458 -161620.5183 -109264.8297 299.3563 -131.5885 -106.2157 759683.0547 13.2943 13.0606 PRESSURE: 2316600 181.067 -162.692 44.9458 -162.692 -209.558 120.79 44.9447 120.79 -106.317 GPRESSURE: 2316600 210.832 -242.59 60.4218 -120.769 -116.054 -10.9698 -5.11882 95.0323 -131.9 PRESSAVG: 2316600 12.815 -50.3888 -6.80575 -50.3888 -41.1741 -17.9694 -6.80577 -17.9695 -15.7969 GPRESSAVG: 2316600 12.9064 -51.0918 -4.93641 -50.053 -41.4766 -18.7729 -7.75425 -18.5116 -15.4886 TIMING: 2316600 CPU: 7395.37, 0.00317737/step Wall: 7395.37, 0.00317737/step, 2.36837 hours remaining, 234.976562 MB of memory in use. ENERGY: 2316600 3993.1621 20585.9946 14503.0261 236.7590 -203294.8033 2610.9001 0.0000 0.0000 51833.5582 -109531.4032 297.8882 -161364.9614 -109163.5354 299.1240 -44.9360 -12.3740 760900.3048 -14.7187 -14.6863 PRESSURE: 2316800 221.405 78.9163 -209.755 78.9158 246.171 187.195 -209.755 187.195 517.965 GPRESSURE: 2316800 201.061 53.9606 -192.931 78.8643 259.463 199.188 -318.11 115.31 619.361 PRESSAVG: 2316800 29.2189 -38.225 28.0422 -38.2249 -34.1664 35.2829 28.0422 35.2828 -24.9514 GPRESSAVG: 2316800 27.8609 -37.5013 26.418 -40.5092 -34.7352 34.7003 28.884 36.3536 -23.1716 TIMING: 2316800 CPU: 7396.01, 0.00320433/step Wall: 7396.01, 0.00320433/step, 2.3883 hours remaining, 234.976562 MB of memory in use. ENERGY: 2316800 3951.6169 20553.4883 14438.9389 238.1221 -203280.0308 2606.0947 0.0000 0.0000 51853.5451 -109638.2247 298.0030 -161491.7699 -109280.8457 298.9470 328.5137 359.9615 759338.1918 -9.9663 -10.0153 PRESSURE: 2317000 -17.4545 -178.47 -80.0049 -178.469 -376.695 -23.7865 -80.0045 -23.7868 12.8208 GPRESSURE: 2317000 -23.6692 -109.968 -125.438 -114.154 -300.525 -32.1683 -1.63246 -64.2951 15.8459 PRESSAVG: 2317000 4.45923 -71.956 -8.24096 -71.956 -26.1822 -36.3091 -8.24097 -36.3091 -8.02887 GPRESSAVG: 2317000 5.65134 -72.7837 -8.3507 -72.6708 -25.2361 -36.3769 -8.69024 -37.0625 -9.81651 TIMING: 2317000 CPU: 7396.64, 0.00316213/step Wall: 7396.64, 0.00316213/step, 2.35667 hours remaining, 234.976562 MB of memory in use. ENERGY: 2317000 3994.9142 20388.5276 14566.2951 240.5370 -203371.2882 2372.6534 0.0000 0.0000 52077.3925 -109730.9683 299.2895 -161808.3608 -109360.5333 298.8104 -127.1094 -102.7828 759365.1748 -9.9173 -9.8004 PRESSURE: 2317200 175.016 -9.58332 -168.448 -9.58227 85.9005 -6.4725 -168.449 -6.47252 -542.424 GPRESSURE: 2317200 199.484 20.4831 -184.186 66.6857 121.672 -55.2331 -85.9025 -45.37 -519.663 PRESSAVG: 2317200 69.8124 -55.8994 8.72619 -55.8994 -59.7369 10.5873 8.72615 10.5873 32.0018 GPRESSAVG: 2317200 68.6889 -56.9582 9.01006 -54.8651 -59.3821 12.8723 10.1941 11.0898 31.9807 TIMING: 2317200 CPU: 7397.27, 0.00315949/step Wall: 7397.27, 0.00315949/step, 2.35452 hours remaining, 234.976562 MB of memory in use. ENERGY: 2317200 4052.0304 20540.4394 14517.8394 252.2414 -203286.0445 2256.2609 0.0000 0.0000 52245.9358 -109421.2972 300.2581 -161667.2330 -109053.4578 299.5102 -93.8357 -66.1691 759558.8248 14.0258 13.7625 PRESSURE: 2317400 -321.387 -108.26 -108.431 -108.261 47.2998 -240.24 -108.431 -240.242 408.887 GPRESSURE: 2317400 -219.795 -86.2046 -135.392 -104.55 104.839 -305.645 -133.385 -244.556 332.662 PRESSAVG: 2317400 -28.384 -99.5108 -58.7437 -99.5108 30.2644 -52.5186 -58.7437 -52.5186 -6.04757 GPRESSAVG: 2317400 -28.8422 -99.4335 -59.25 -99.0345 31.1175 -54.8416 -59.1059 -55.3214 -5.87443 TIMING: 2317400 CPU: 7397.91, 0.00317353/step Wall: 7397.91, 0.00317353/step, 2.36481 hours remaining, 234.976562 MB of memory in use. ENERGY: 2317400 3994.0250 20624.5207 14516.9526 269.6256 -203459.5992 2468.7589 0.0000 0.0000 52282.3212 -109303.3951 300.4672 -161585.7164 -108937.9532 299.7472 44.9332 72.5686 759182.5573 -1.3891 -1.1997 PRESSURE: 2317600 -294.242 -10.638 125.699 -10.6367 -402.312 -18.4729 125.698 -18.474 151.984 GPRESSURE: 2317600 -307.274 -73.7575 157.038 -85.3962 -315.178 -24.8002 0.0821532 153.368 164.2 PRESSAVG: 2317600 -13.3802 -70.0794 10.3267 -70.0794 1.90282 -35.0943 10.3267 -35.0943 -4.05834 GPRESSAVG: 2317600 -12.2569 -71.2239 11.429 -71.181 0.914185 -34.7483 8.91602 -30.6666 -4.33354 TIMING: 2317600 CPU: 7398.54, 0.00316861/step Wall: 7398.54, 0.00316861/step, 2.36097 hours remaining, 234.976562 MB of memory in use. ENERGY: 2317600 4071.0879 20429.5199 14477.8002 245.0665 -203429.9033 2354.7163 0.0000 0.0000 52351.4776 -109500.2349 300.8647 -161851.7126 -109135.8469 299.9962 -181.5235 -152.7506 760082.1218 -5.1786 -5.2254 PRESSURE: 2317800 91.5048 -114.707 2.64762 -114.707 -34.8929 -84.8879 2.64708 -84.8872 -38.8197 GPRESSURE: 2317800 147.84 -52.4591 -69.2225 -184.209 -49.0046 -99.0116 -2.79174 -44.1979 23.7186 PRESSAVG: 2317800 -18.0385 -90.379 -0.14708 -90.379 -8.90152 -12.3786 -0.147117 -12.3787 34.0761 GPRESSAVG: 2317800 -18.1107 -87.7089 -0.922946 -89.5811 -9.32353 -11.1821 -0.488025 -15.7015 35.3002 TIMING: 2317800 CPU: 7399.17, 0.00315204/step Wall: 7399.17, 0.00315204/step, 2.34844 hours remaining, 234.976562 MB of memory in use. ENERGY: 2317800 3951.5781 20445.1030 14547.6582 241.6358 -203405.7299 2474.6027 0.0000 0.0000 52186.7125 -109558.4397 299.9178 -161745.1522 -109199.6619 299.3408 5.9307 40.8514 758814.2557 2.3787 2.6220 PRESSURE: 2318000 331.563 -123.279 179.137 -123.28 -62.8491 33.6144 179.137 33.6143 -34.3787 GPRESSURE: 2318000 348.259 -205.002 180.838 -84.0215 2.18143 97.9406 74.8463 71.4106 -31.2471 PRESSAVG: 2318000 20.6517 -72.2609 -16.5442 -72.2608 -8.35279 -34.143 -16.5443 -34.143 7.44874 GPRESSAVG: 2318000 21.385 -74.6624 -17.2979 -71.4944 -8.16993 -34.9469 -14.7379 -31.1337 7.33118 TIMING: 2318000 CPU: 7399.8, 0.00313917/step Wall: 7399.8, 0.00313917/step, 2.33868 hours remaining, 234.976562 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: 2318000 4007.3571 20530.8096 14502.1063 228.4401 -203278.9392 2337.0625 0.0000 0.0000 52035.1244 -109638.0392 299.0466 -161673.1636 -109278.4074 298.7586 78.1117 106.3979 759070.6619 6.5825 6.8488 PRESSURE: 2318200 -123.206 -124.505 23.5157 -124.506 -8.9762 -352.767 23.5151 -352.767 156.402 GPRESSURE: 2318200 -18.9279 -181.882 -11.6469 -66.3396 20.1962 -340.446 -36.0027 -212.34 105.301 PRESSAVG: 2318200 6.41145 -58.2231 8.82238 -58.2231 -12.818 -10.1422 8.82238 -10.1422 -8.54047 GPRESSAVG: 2318200 7.69906 -58.0454 8.89115 -59.2743 -13.7065 -9.37654 8.58677 -11.4693 -9.39394 TIMING: 2318200 CPU: 7400.43, 0.00317164/step Wall: 7400.43, 0.00317164/step, 2.36269 hours remaining, 234.976562 MB of memory in use. ENERGY: 2318200 4069.4421 20407.6038 14516.1412 245.9550 -203395.4418 2507.6746 0.0000 0.0000 51943.4177 -109705.2074 298.5195 -161648.6251 -109344.7282 299.3041 8.0736 35.5233 760709.1368 -4.9824 -5.1338 PRESSURE: 2318400 178.828 68.4617 -188.478 68.4616 -47.6321 10.8064 -188.478 10.8072 -54.0782 GPRESSURE: 2318400 171.501 91.3832 -238.334 6.30754 -46.5134 81.383 -83.5825 44.7313 47.8417 PRESSAVG: 2318400 24.6796 -63.2836 -60.9701 -63.2835 34.4297 -49.8301 -60.9701 -49.8301 24.5862 GPRESSAVG: 2318400 23.0495 -62.9465 -61.1062 -63.9545 35.6386 -50.758 -59.4034 -50.747 25.4911 TIMING: 2318400 CPU: 7401.07, 0.0031576/step Wall: 7401.07, 0.0031576/step, 2.35206 hours remaining, 234.976562 MB of memory in use. ENERGY: 2318400 3959.6668 20444.3029 14492.8993 246.6226 -203697.2754 2614.1648 0.0000 0.0000 52140.6254 -109798.9936 299.6529 -161939.6190 -109429.3642 298.9272 25.7060 57.6098 759158.5160 27.8985 28.0597 PRESSURE: 2318600 -207.577 -20.571 -29.5672 -20.572 -65.675 129.599 -29.567 129.599 -89.5288 GPRESSURE: 2318600 -240.124 98.5925 -100.161 -18.6157 81.3326 158.594 -62.6656 198.959 -104.297 PRESSAVG: 2318600 22.0922 -8.0191 16.6704 -8.01913 -28.6584 -18.7276 16.6704 -18.7276 15.7756 GPRESSAVG: 2318600 22.9604 -6.49756 17.2572 -7.12298 -29.1711 -18.1376 15.0875 -18.4569 14.5021 TIMING: 2318600 CPU: 7401.69, 0.00313829/step Wall: 7401.69, 0.00313829/step, 2.3375 hours remaining, 234.976562 MB of memory in use. ENERGY: 2318600 3981.4580 20610.9820 14521.8218 274.8379 -203231.7360 2342.3741 0.0000 0.0000 51879.6899 -109620.5724 298.1533 -161500.2623 -109246.7501 298.6304 -120.9270 -87.6961 760214.3729 3.0698 2.7638 PRESSURE: 2318800 -15.6319 -131.05 -332.64 -131.05 84.0111 128.088 -332.64 128.089 315.538 GPRESSURE: 2318800 28.1173 -97.007 -415.877 -129.791 153.542 173.171 -329.157 163.028 270.253 PRESSAVG: 2318800 19.0517 -41.2716 -68.2536 -41.2717 -25.657 -63.4329 -68.2536 -63.4329 -37.2305 GPRESSAVG: 2318800 17.3006 -41.918 -68.7098 -40.8416 -24.8144 -64.416 -69.4002 -62.4643 -36.5377 TIMING: 2318800 CPU: 7402.32, 0.0031557/step Wall: 7402.32, 0.0031557/step, 2.3503 hours remaining, 234.976562 MB of memory in use. ENERGY: 2318800 3974.9306 20458.0304 14563.4776 244.8075 -203486.0931 2517.9465 0.0000 0.0000 52302.2498 -109424.6507 300.5817 -161726.9004 -109060.6947 299.2551 127.9725 150.6375 760332.8671 -14.6120 -14.6838 PRESSURE: 2319000 111.9 -191.839 -100.884 -191.84 -206.074 -102.737 -100.884 -102.737 50.2954 GPRESSURE: 2319000 98.8974 -190.568 -117.729 -210.999 -136.38 -158.52 -98.9962 5.45278 81.5672 PRESSAVG: 2319000 22.7096 -61.6594 -38.5162 -61.6594 -27.8513 -6.66685 -38.5162 -6.66681 9.95056 GPRESSAVG: 2319000 22.9099 -60.3571 -38.6149 -61.8781 -28.0425 -6.41698 -36.2792 -5.37338 10.0795 TIMING: 2319000 CPU: 7402.96, 0.00315768/step Wall: 7402.96, 0.00315768/step, 2.3516 hours remaining, 234.976562 MB of memory in use. ENERGY: 2319000 4011.5686 20478.7288 14508.4222 268.0255 -203182.9213 2484.8970 0.0000 0.0000 51861.8658 -109569.4135 298.0509 -161431.2793 -109201.5660 299.6455 -14.6264 14.6949 761080.2692 1.6030 1.6490 PRESSURE: 2319200 -226.087 109.04 -30.5 109.039 -261.334 -118.625 -30.4993 -118.626 -281.77 GPRESSURE: 2319200 -229.389 13.5982 -93.0994 152.407 -196.097 -75.4726 -74.6797 -182.92 -249.848 PRESSAVG: 2319200 20.1938 -55.6627 -76.1964 -55.6627 8.94526 -38.4747 -76.1964 -38.4746 -1.42034 GPRESSAVG: 2319200 21.465 -54.8181 -77.5406 -55.7977 7.97072 -38.3795 -77.6235 -38.7249 -1.70202 TIMING: 2319200 CPU: 7403.6, 0.00321708/step Wall: 7403.6, 0.00321708/step, 2.39565 hours remaining, 234.976562 MB of memory in use. ENERGY: 2319200 4068.7649 20469.5965 14455.6210 260.1253 -203304.5354 2378.6635 0.0000 0.0000 52167.4562 -109504.3079 299.8071 -161671.7642 -109142.9899 299.0183 -256.3971 -225.1112 760905.8599 9.2396 9.2446 PRESSURE: 2319400 -192.012 26.8815 -131.408 26.8811 -23.2384 -143.9 -131.408 -143.9 -191.381 GPRESSURE: 2319400 -74.5559 46.94 -144.35 117.703 -23.6131 -234.551 -14.9675 -141.886 -199.246 PRESSAVG: 2319400 56.201 -40.693 13.1085 -40.693 -42.3294 13.4034 13.1085 13.4034 23.51 GPRESSAVG: 2319400 56.3417 -42.0319 15.3193 -41.5964 -42.4109 12.638 16.4676 12.6278 23.9313 TIMING: 2319400 CPU: 7404.24, 0.00318849/step Wall: 7404.24, 0.00318849/step, 2.37418 hours remaining, 234.976562 MB of memory in use. ENERGY: 2319400 4036.5476 20483.1376 14398.0967 248.7053 -203181.0943 2538.3609 0.0000 0.0000 51921.7959 -109554.4504 298.3953 -161476.2462 -109192.4003 299.6518 -135.5439 -99.1385 759880.5254 12.4605 12.6207 PRESSURE: 2319600 -61.0172 14.9862 -147.722 14.9857 -181.612 201.561 -147.722 201.561 49.073 GPRESSURE: 2319600 -53.6263 35.6429 -126.58 3.27107 -141.29 219.486 -73.7073 228.842 94.53 PRESSAVG: 2319600 -35.6794 -42.6864 -64.3152 -42.6864 32.7321 19.4844 -64.3153 19.4845 -19.4593 GPRESSAVG: 2319600 -36.6482 -43.2024 -67.1258 -43.8833 34.0836 19.5981 -65.8884 20.2455 -19.8179 TIMING: 2319600 CPU: 7404.87, 0.00318148/step Wall: 7404.87, 0.00318148/step, 2.36879 hours remaining, 234.976562 MB of memory in use. ENERGY: 2319600 3956.2281 20515.0372 14466.7899 241.7205 -203014.7247 2229.4837 0.0000 0.0000 51908.4260 -109697.0394 298.3184 -161605.4653 -109339.2639 299.2692 -64.5188 -33.4620 759886.6274 -7.4689 -7.4608 PRESSURE: 2319800 28.1068 59.063 -95.3928 59.0625 -65.131 -284.64 -95.3933 -284.64 141.221 GPRESSURE: 2319800 48.2915 -18.8715 -107.538 126.195 -41.7629 -298.985 -69.7647 -280.654 176.386 PRESSAVG: 2319800 1.88965 -86.2523 -37.6614 -86.2523 -8.31136 -42.9773 -37.6614 -42.9772 11.7814 GPRESSAVG: 2319800 2.41368 -87.6854 -35.5664 -84.7547 -8.8185 -43.2558 -39.1711 -43.8355 11.5574 TIMING: 2319800 CPU: 7405.5, 0.00314921/step Wall: 7405.5, 0.00314921/step, 2.34459 hours remaining, 234.976562 MB of memory in use. ENERGY: 2319800 3918.6038 20579.9381 14492.8405 227.3238 -203627.9785 2550.3590 0.0000 0.0000 52319.1100 -109539.8033 300.6786 -161858.9132 -109165.2656 298.5960 34.7323 60.9714 761549.5209 1.7866 1.7175 PRESSURE: 2320000 156.12 217.58 -8.97042 217.58 -84.3736 121.348 -8.97063 121.348 324.966 GPRESSURE: 2320000 199.464 154.785 68.2623 199.99 -53.4466 134.834 -19.9597 -3.04766 309.574 PRESSAVG: 2320000 -13.1323 -8.76576 -15.1774 -8.76572 7.80353 -64.1031 -15.1774 -64.1032 -7.14206 GPRESSAVG: 2320000 -13.4185 -8.44297 -13.4371 -7.77717 7.15912 -63.7757 -15.8417 -63.0596 -6.35126 TIMING: 2320000 CPU: 7406.13, 0.00315526/step Wall: 7406.13, 0.00315526/step, 2.34892 hours remaining, 234.976562 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: 2320000 3959.9340 20501.7540 14412.5448 243.9589 -203720.4387 2778.3525 0.0000 0.0000 52188.2940 -109635.6005 299.9268 -161823.8945 -109259.2572 299.3360 132.2374 151.8638 760944.7087 -4.1569 -4.2035 PRESSURE: 2320200 80.9673 -140.101 -174.144 -140.101 -120.944 -6.24642 -174.144 -6.24677 -623.64 GPRESSURE: 2320200 68.9284 -130.009 -149.215 -4.78521 -33.004 0.788013 -259.474 -83.263 -599.624 PRESSAVG: 2320200 44.048 -0.0993801 -70.067 -0.0993947 -11.2046 4.87991 -70.067 4.87997 -5.31411 GPRESSAVG: 2320200 44.7813 -0.898291 -71.6288 0.897805 -11.7381 7.16985 -68.6093 3.92982 -5.44931 TIMING: 2320200 CPU: 7406.77, 0.00317935/step Wall: 7406.77, 0.00317935/step, 2.36667 hours remaining, 234.976562 MB of memory in use. ENERGY: 2320200 3956.5060 20442.8614 14438.9475 248.2982 -203256.9015 2485.0485 0.0000 0.0000 52077.8774 -109607.3625 299.2923 -161685.2398 -109243.1803 299.1659 -221.2055 -187.8999 759678.5354 9.1764 9.1980 LDB: ============= START OF LOAD BALANCING ============== 7419.19 LDB: ============== END OF LOAD BALANCING =============== 7419.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7419.19 LDB: ============= START OF LOAD BALANCING ============== 7419.51 LDB: Largest compute 7033 load 0.034806 is 17.8% of average load 0.195481 LDB: Average compute 0.004398 is 2.3% of average load 0.195481 LDB: TIME 7419.51 LOAD: AVG 0.195481 MAX 0.212433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.715 MB LDB: TIME 7419.51 LOAD: AVG 0.195481 MAX 0.212433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.715 MB LDB: TIME 7419.51 LOAD: AVG 0.195481 MAX 0.212433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.715 MB LDB: ============== END OF LOAD BALANCING =============== 7419.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7419.52 PRESSURE: 2320400 29.2424 -4.50566 -24.9856 -4.50563 -200.312 -168.1 -24.9847 -168.102 165.581 GPRESSURE: 2320400 127.141 -11.082 -52.9167 68.5787 -195.729 -152.909 -72.3229 -42.6825 146.676 PRESSAVG: 2320400 -2.69416 3.87449 -17.364 3.87451 -25.2092 -13.492 -17.364 -13.4921 -3.66047 GPRESSAVG: 2320400 -3.24201 4.87964 -16.309 2.19948 -23.0133 -14.3335 -18.2398 -13.5582 -4.90374 TIMING: 2320400 CPU: 7407.42, 0.00322954/step Wall: 7407.42, 0.00322954/step, 2.40385 hours remaining, 233.230469 MB of memory in use. ENERGY: 2320400 4053.7361 20371.3431 14502.8905 228.8072 -203881.3513 2786.0601 0.0000 0.0000 52188.5289 -109749.9852 299.9282 -161938.5142 -109376.8659 299.2194 -1.8296 26.0292 759432.4932 -10.5213 -10.3863 PRESSURE: 2320600 -331.388 152.491 40.8551 152.489 -133.652 94.391 40.8558 94.3918 294.868 GPRESSURE: 2320600 -262.53 127.153 69.8663 203.508 -139.766 76.1569 58.7571 5.90703 298.037 PRESSAVG: 2320600 51.0385 14.7801 -36.8774 14.7801 -36.5186 -48.2957 -36.8774 -48.2957 -4.38687 GPRESSAVG: 2320600 51.0075 14.2316 -37.9612 15.6713 -38.0613 -48.2737 -35.0917 -48.1421 -2.81972 TIMING: 2320600 CPU: 7408.05, 0.0031697/step Wall: 7408.05, 0.0031697/step, 2.35914 hours remaining, 233.230469 MB of memory in use. ENERGY: 2320600 4042.1866 20791.9383 14510.4914 231.1712 -203692.0062 2554.3111 0.0000 0.0000 51776.9926 -109784.9149 297.5631 -161561.9075 -109426.1455 298.6212 -56.7241 -34.7530 760798.6348 3.3777 3.3755 PRESSURE: 2320800 10.2195 70.1701 -307.048 70.1701 -28.0472 129.349 -307.048 129.349 -25.6788 GPRESSURE: 2320800 96.3866 15.3093 -312.158 79.9274 -124.897 141.886 -223.708 136.96 85.8022 PRESSAVG: 2320800 61.688 -50.317 -38.7477 -50.317 -59.6501 6.35825 -38.7478 6.35825 2.24647 GPRESSAVG: 2320800 62.1037 -50.4444 -37.0945 -50.6522 -58.9528 6.3899 -40.3749 5.73597 1.08411 TIMING: 2320800 CPU: 7408.68, 0.00315696/step Wall: 7408.68, 0.00315696/step, 2.34948 hours remaining, 233.230469 MB of memory in use. ENERGY: 2320800 3989.3248 20550.0248 14488.7091 228.4740 -203281.4424 2162.1768 0.0000 0.0000 51955.8259 -109906.9070 298.5908 -161862.7329 -109559.2643 298.2084 -14.5022 19.0973 759434.1218 1.4281 1.4117 PRESSURE: 2321000 341.371 -50.8454 -37.2694 -50.8454 151.128 -29.9761 -37.27 -29.9756 -84.6327 GPRESSURE: 2321000 311.889 -3.1715 12.348 -98.8875 225.943 -27.7114 -112.279 -9.91509 -25.2205 PRESSAVG: 2321000 51.9064 -54.6144 -30.4548 -54.6144 -13.9479 1.89541 -30.4548 1.89546 -5.15612 GPRESSAVG: 2321000 51.7826 -52.5448 -33.2331 -55.2031 -15.2602 1.20214 -30.2811 3.20397 -3.99049 TIMING: 2321000 CPU: 7409.31, 0.00315139/step Wall: 7409.31, 0.00315139/step, 2.34516 hours remaining, 233.230469 MB of memory in use. ENERGY: 2321000 4008.2122 20360.3578 14519.4250 257.1327 -203581.8923 2393.8858 0.0000 0.0000 52234.2953 -109808.5835 300.1912 -162042.8787 -109447.6766 298.4442 135.9553 170.8706 759906.6115 10.9341 10.8440 PRESSURE: 2321200 -31.6653 -130.764 -22.8484 -130.765 -21.4242 -308.415 -22.85 -308.416 29.7979 GPRESSURE: 2321200 -133.017 -31.9556 -58.0917 -114.102 138.187 -230.803 69.9965 -262.232 68.3272 PRESSAVG: 2321200 20.7799 -47.3845 29.6696 -47.3846 3.89936 -18.9545 29.6696 -18.9544 -11.6239 GPRESSAVG: 2321200 19.6201 -48.3784 31.3135 -46.4657 6.32895 -17.3348 30.4704 -19.1853 -13.158 TIMING: 2321200 CPU: 7409.95, 0.00318201/step Wall: 7409.95, 0.00318201/step, 2.36777 hours remaining, 233.230469 MB of memory in use. ENERGY: 2321200 3936.3948 20332.5134 14546.5530 249.0633 -203317.4210 2385.3162 0.0000 0.0000 51848.8531 -110018.7272 297.9761 -161867.5803 -109646.0990 298.6095 -7.7639 24.4990 759983.8346 4.3518 4.2637 PRESSURE: 2321400 -174.968 184.59 -25.0991 184.591 -384.537 54.3536 -25.0991 54.356 -15.437 GPRESSURE: 2321400 -127.45 56.6974 -4.73762 203.127 -313.953 -28.381 -1.48027 204.405 -12.0624 PRESSAVG: 2321400 -22.2435 31.0514 42.6874 31.0513 9.98461 1.28235 42.6873 1.28238 -15.6382 GPRESSAVG: 2321400 -20.4228 31.4853 41.9634 29.6391 8.64462 -0.617655 40.3976 1.47703 -16.308 TIMING: 2321400 CPU: 7410.58, 0.00316938/step Wall: 7410.58, 0.00316938/step, 2.35819 hours remaining, 233.230469 MB of memory in use. ENERGY: 2321400 4011.6266 20607.7397 14488.8974 239.0989 -203452.0482 2269.2867 0.0000 0.0000 52090.3734 -109745.0254 299.3641 -161835.3988 -109384.2504 298.7196 -191.6473 -151.1553 760472.5741 -9.2990 -9.3621 PRESSURE: 2321600 -52.3022 -81.4187 -81.4164 -81.4186 73.3916 71.6506 -81.417 71.6513 -349.866 GPRESSURE: 2321600 71.7727 -15.7594 -30.7309 -172.351 31.9579 18.0017 -100.894 44.2568 -346.926 PRESSAVG: 2321600 -31.7747 28.2258 -11.1406 28.2257 20.552 -40.6328 -11.1405 -40.6328 5.42922 GPRESSAVG: 2321600 -32.5485 28.0121 -10.628 29.1194 20.4253 -38.2274 -9.50908 -42.7675 6.88475 TIMING: 2321600 CPU: 7411.22, 0.00317932/step Wall: 7411.22, 0.00317932/step, 2.36541 hours remaining, 233.230469 MB of memory in use. ENERGY: 2321600 4014.2733 20393.8372 14488.0572 242.2260 -203231.3930 2253.9923 0.0000 0.0000 51931.6769 -109907.3300 298.4521 -161839.0069 -109550.3887 298.8206 -109.5921 -81.0651 760458.2319 -1.9312 -1.7461 PRESSURE: 2321800 -204.414 158.423 78.0073 158.423 -80.5738 -126.537 78.0073 -126.538 -216.883 GPRESSURE: 2321800 -90.9121 99.1799 27.4548 105.216 -113.357 -151.248 -7.84176 -188.922 -211.609 PRESSAVG: 2321800 63.7441 -3.11597 -53.7913 -3.11596 -29.8751 -22.9512 -53.7913 -22.9512 22.4003 GPRESSAVG: 2321800 63.6172 -2.33266 -55.5457 -3.79899 -29.4548 -24.5386 -55.4101 -22.5799 21.7566 TIMING: 2321800 CPU: 7411.86, 0.00319396/step Wall: 7411.86, 0.00319396/step, 2.37613 hours remaining, 233.230469 MB of memory in use. ENERGY: 2321800 4056.8515 20278.6850 14540.5876 248.3941 -202976.3621 2112.9778 0.0000 0.0000 51717.9073 -110020.9588 297.2235 -161738.8662 -109657.6598 298.1344 -167.2901 -138.6261 760448.8118 18.7564 18.6397 PRESSURE: 2322000 171.827 -126.62 -75.6702 -126.619 -48.7502 -25.7609 -75.6701 -25.7603 156.217 GPRESSURE: 2322000 171.255 -33.4602 -28.367 -76.5348 2.90142 -41.2356 121.366 -208.021 198.162 PRESSAVG: 2322000 -15.2113 -16.3776 22.2113 -16.3776 4.01285 -0.247346 22.2113 -0.247371 -30.7583 GPRESSAVG: 2322000 -16.4077 -19.3573 22.6587 -13.182 4.02245 -0.241733 22.7541 0.323073 -29.7432 TIMING: 2322000 CPU: 7412.49, 0.00317735/step Wall: 7412.49, 0.00317735/step, 2.3636 hours remaining, 233.230469 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: 2322000 3992.8803 20346.5775 14460.1927 252.8246 -203424.3498 2453.4284 0.0000 0.0000 52012.8610 -109905.5853 298.9186 -161918.4463 -109538.5654 298.5134 93.0981 124.1062 758705.6676 -13.9856 -14.0428 PRESSURE: 2322200 -256.358 -95.5011 177.723 -95.5012 70.2582 -20.2694 177.722 -20.2682 104.926 GPRESSURE: 2322200 -178.634 -193.135 209.566 -46.5778 80.753 -103.473 39.1845 -101.648 119.455 PRESSAVG: 2322200 73.2044 -21.5486 -13.4373 -21.5487 -31.1821 -27.4142 -13.4373 -27.4142 -1.58967 GPRESSAVG: 2322200 74.3705 -18.9357 -13.9618 -22.1429 -30.738 -27.6843 -12.2804 -28.073 -3.23716 TIMING: 2322200 CPU: 7413.13, 0.00318358/step Wall: 7413.13, 0.00318358/step, 2.36805 hours remaining, 233.230469 MB of memory in use. ENERGY: 2322200 4025.7330 20418.3166 14479.7306 245.5342 -203631.3251 2516.9328 0.0000 0.0000 51973.3142 -109971.7637 298.6914 -161945.0779 -109604.6935 298.2763 -27.0578 7.1913 759669.8428 13.4776 13.4651 PRESSURE: 2322400 224.522 12.7727 13.1783 12.7729 -54.4165 -36.3446 13.177 -36.3446 -278.165 GPRESSURE: 2322400 248.729 93.3127 54.0815 -52.8828 -43.8628 -67.3067 96.5584 30.679 -226.34 PRESSAVG: 2322400 11.2756 -21.7119 -7.64904 -21.7118 6.75443 -9.93998 -7.64903 -9.93993 -12.4218 GPRESSAVG: 2322400 11.9616 -20.9689 -6.71532 -24.1903 4.37801 -10.2126 -9.08412 -10.7661 -11.4666 TIMING: 2322400 CPU: 7413.77, 0.00318745/step Wall: 7413.77, 0.00318745/step, 2.37075 hours remaining, 233.230469 MB of memory in use. ENERGY: 2322400 3964.3233 20532.6279 14366.2862 259.4594 -203104.1281 2103.9544 0.0000 0.0000 51902.1406 -109975.3365 298.2823 -161877.4770 -109614.3946 298.3826 -36.0196 -7.1581 760286.0329 1.8694 1.6243 PRESSURE: 2322600 19.7509 -61.2969 58.9592 -61.2974 -44.9443 -16.445 58.9601 -16.4443 185.637 GPRESSURE: 2322600 58.366 -43.228 68.7299 -63.0751 35.5648 -72.4379 33.7957 -142.756 159.124 PRESSAVG: 2322600 -35.808 -43.8402 0.917327 -43.8403 31.9435 -5.20242 0.917346 -5.20239 -8.74403 GPRESSAVG: 2322600 -36.9898 -44.8077 1.78888 -42.8884 33.341 -5.89219 -1.07954 -4.70224 -9.28044 TIMING: 2322600 CPU: 7414.41, 0.00320425/step Wall: 7414.41, 0.00320425/step, 2.38307 hours remaining, 233.230469 MB of memory in use. ENERGY: 2322600 3967.1962 20473.6609 14492.8830 240.0415 -203353.6828 2552.1292 0.0000 0.0000 51770.1255 -109857.6465 297.5236 -161627.7720 -109494.0694 298.0668 53.4813 84.3514 759747.3507 -4.2028 -4.3098 PRESSURE: 2322800 207.8 38.7491 -19.5043 38.7491 45.4263 -4.2323 -19.5045 -4.23289 315.326 GPRESSURE: 2322800 249.69 21.564 12.9649 185.048 42.7397 32.8723 25.3032 -65.1429 354.463 PRESSAVG: 2322800 49.9329 -5.5936 28.3062 -5.5936 19.571 2.00449 28.3062 2.00444 19.4903 GPRESSAVG: 2322800 49.6949 -7.05421 25.7286 -4.8221 19.5463 2.1385 32.0984 2.63002 19.9476 TIMING: 2322800 CPU: 7415.05, 0.00320318/step Wall: 7415.05, 0.00320318/step, 2.3821 hours remaining, 233.230469 MB of memory in use. ENERGY: 2322800 4030.5586 20486.9565 14492.9977 235.3505 -203622.7077 2449.9394 0.0000 0.0000 51952.1043 -109974.8008 298.5695 -161926.9051 -109614.7865 298.0460 189.5175 215.6310 758469.3147 29.6647 29.7296 PRESSURE: 2323000 -108.738 -197.305 107.921 -197.305 121.393 14.1036 107.922 14.1039 -237.225 GPRESSURE: 2323000 -22.9797 -169.157 112.02 -172.001 104.231 22.8375 161.303 5.20144 -234.023 PRESSAVG: 2323000 -47.3452 -72.9579 -21.265 -72.9579 33.6588 -25.227 -21.265 -25.2271 7.4655 GPRESSAVG: 2323000 -47.1927 -70.8074 -20.6687 -73.5208 34.2912 -25.0172 -20.605 -27.0477 6.3242 TIMING: 2323000 CPU: 7415.68, 0.00316948/step Wall: 7415.68, 0.00316948/step, 2.35686 hours remaining, 233.230469 MB of memory in use. ENERGY: 2323000 3991.6495 20381.7491 14429.6209 260.2656 -203252.7871 2359.6905 0.0000 0.0000 51939.8816 -109889.9299 298.4992 -161829.8116 -109526.7925 298.5471 -74.8564 -50.9239 759684.5738 -2.0736 -2.1924 PRESSURE: 2323200 290.686 206.499 -84.8273 206.5 -68.346 3.28912 -84.8266 3.28874 -84.5156 GPRESSURE: 2323200 279.271 125.724 -60.1157 16.4164 26.5638 -7.12658 -28.504 26.0661 -81.7378 PRESSAVG: 2323200 9.16933 -40.2417 14.4935 -40.2417 0.157576 37.4672 14.4935 37.4673 -5.57564 GPRESSAVG: 2323200 8.09418 -40.2022 15.4781 -41.8233 -0.602876 38.0818 13.8667 38.3278 -4.38665 TIMING: 2323200 CPU: 7416.31, 0.0031664/step Wall: 7416.31, 0.0031664/step, 2.3544 hours remaining, 233.230469 MB of memory in use. ENERGY: 2323200 4008.9336 20401.5627 14467.4523 247.4710 -203883.8706 2956.6146 0.0000 0.0000 52030.4845 -109771.3519 299.0199 -161801.8364 -109416.2363 298.9916 45.9415 74.6991 759812.9554 1.2504 1.0349 PRESSURE: 2323400 87.9026 -201.25 -40.0604 -201.25 23.3598 -285.018 -40.0597 -285.019 234.731 GPRESSURE: 2323400 139.089 -301.128 -82.7589 -6.86791 132.802 -335.251 -41.175 -219.604 174.661 PRESSAVG: 2323400 -25.5694 1.63669 -27.1854 1.63668 -6.12264 0.416994 -27.1853 0.416936 -26.715 GPRESSAVG: 2323400 -25.3254 -2.08042 -27.065 3.50694 -5.98046 1.36167 -29.4407 0.915059 -27.5268 TIMING: 2323400 CPU: 7416.95, 0.00317108/step Wall: 7416.95, 0.00317108/step, 2.3577 hours remaining, 233.230469 MB of memory in use. ENERGY: 2323400 4001.3712 20363.5325 14524.2791 245.3503 -203895.8986 2804.6938 0.0000 0.0000 52110.7584 -109845.9133 299.4812 -161956.6717 -109491.5625 298.4969 115.3311 148.8507 758312.4973 -19.4690 -19.6109 PRESSURE: 2323600 -183.481 -20.6722 16.531 -20.6715 -113.83 15.5655 16.5309 15.5662 -295.607 GPRESSURE: 2323600 -272.055 -148.162 14.5883 -27.7361 4.00397 85.8712 -174.911 2.69592 -261.736 PRESSAVG: 2323600 -8.81677 -27.2647 -12.4292 -27.2647 30.8101 42.6424 -12.4291 42.6424 -11.1942 GPRESSAVG: 2323600 -9.71125 -25.5742 -12.8154 -27.4546 30.9876 40.239 -12.4908 42.2568 -10.8072 TIMING: 2323600 CPU: 7417.58, 0.00318084/step Wall: 7417.58, 0.00318084/step, 2.36478 hours remaining, 233.230469 MB of memory in use. ENERGY: 2323600 4005.5263 20477.8513 14486.0939 248.8098 -203606.7000 2515.9936 0.0000 0.0000 52119.0438 -109753.3814 299.5289 -161872.4252 -109399.8378 298.6941 -197.6394 -176.5957 761208.7526 3.5997 3.4897 PRESSURE: 2323800 247.77 -78.3372 88.3448 -78.3378 145.769 82.5531 88.345 82.5533 -274.899 GPRESSURE: 2323800 238.741 -213.88 46.5026 -151.336 183.397 35.997 116.446 71.6907 -208.161 PRESSAVG: 2323800 -12.0951 -10.3439 7.62475 -10.3439 21.9209 49.8419 7.62481 49.8419 -9.65674 GPRESSAVG: 2323800 -10.3613 -9.88767 7.4593 -11.4702 21.1841 51.5975 8.18243 49.6787 -10.3353 TIMING: 2323800 CPU: 7418.22, 0.00318477/step Wall: 7418.22, 0.00318477/step, 2.36752 hours remaining, 233.230469 MB of memory in use. ENERGY: 2323800 3958.0495 20531.9740 14505.4252 239.4606 -203858.3953 2879.4514 0.0000 0.0000 51889.0669 -109854.9677 298.2072 -161744.0346 -109493.2192 298.5096 39.5466 71.3256 760724.1461 0.0564 0.1625 PRESSURE: 2324000 -148.773 -76.5737 235.538 -76.5736 -109.024 -127.228 235.538 -127.228 -27.5098 GPRESSURE: 2324000 -210.642 25.8042 215.539 -81.6436 16.1378 -117.347 235.153 -130.999 -0.56652 PRESSAVG: 2324000 12.5828 -30.0454 7.475 -30.0454 13.9302 3.04539 7.47503 3.04547 -32.4461 GPRESSAVG: 2324000 10.984 -29.4645 6.65406 -27.581 15.3467 3.32341 10.4832 2.54683 -31.7185 TIMING: 2324000 CPU: 7418.86, 0.00318975/step Wall: 7418.86, 0.00318975/step, 2.37105 hours remaining, 233.230469 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: 2324000 3920.1310 20445.6389 14452.9188 257.6712 -203309.0287 2455.0239 0.0000 0.0000 51734.2166 -110043.4284 297.3173 -161777.6450 -109677.4203 298.4162 -95.1022 -65.0237 760688.0962 -1.9777 -1.7959 PRESSURE: 2324200 59.0666 20.3738 -353.783 20.3743 -49.4372 23.4008 -353.783 23.4012 161.304 GPRESSURE: 2324200 78.6271 -122.035 -431.487 -32.4326 -58.2819 98.8008 -248.464 23.393 217.393 PRESSAVG: 2324200 0.512411 -10.5989 -0.130361 -10.5989 -20.0537 73.1057 -0.130348 73.1057 -0.879516 GPRESSAVG: 2324200 0.458644 -10.3795 -1.78185 -10.6438 -20.3846 73.7537 -2.01319 72.8384 -0.897033 TIMING: 2324200 CPU: 7419.51, 0.00324071/step Wall: 7419.51, 0.00324071/step, 2.40875 hours remaining, 233.230469 MB of memory in use. ENERGY: 2324200 3956.3965 20495.0895 14374.5986 265.1095 -203649.7480 2642.3619 0.0000 0.0000 51811.6967 -110104.4953 297.7625 -161916.1920 -109739.8460 297.9809 56.9780 79.2462 760410.5583 -6.8069 -6.9410 LDB: ============= START OF LOAD BALANCING ============== 7431.94 LDB: ============== END OF LOAD BALANCING =============== 7431.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7431.94 LDB: ============= START OF LOAD BALANCING ============== 7432.26 LDB: Largest compute 7025 load 0.035048 is 17.9% of average load 0.195437 LDB: Average compute 0.004376 is 2.2% of average load 0.195437 LDB: TIME 7432.26 LOAD: AVG 0.195437 MAX 0.212932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.707 MB LDB: TIME 7432.26 LOAD: AVG 0.195437 MAX 0.212932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 7432.26 LOAD: AVG 0.195437 MAX 0.212932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 7432.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7432.27 PRESSURE: 2324400 58.546 -91.1208 -153.363 -91.1203 -175.537 -39.6079 -153.363 -39.6089 -24.3267 GPRESSURE: 2324400 191.891 -16.4382 -159.936 -105.536 -201.305 -18.4641 -1.25546 -102.582 -37.4324 PRESSAVG: 2324400 21.4443 -20.5083 17.8431 -20.5082 -9.52666 25.6419 17.8431 25.6419 -0.657817 GPRESSAVG: 2324400 22.6255 -20.5284 19.2569 -22.0442 -10.8452 24.6387 18.7933 26.3641 0.0675693 TIMING: 2324400 CPU: 7420.16, 0.00326948/step Wall: 7420.16, 0.00326948/step, 2.42995 hours remaining, 234.507812 MB of memory in use. ENERGY: 2324400 3981.9283 20392.1904 14488.2107 248.9608 -203746.8789 2840.8688 0.0000 0.0000 51834.5622 -109960.1577 297.8939 -161794.7199 -109604.5770 298.2891 -47.1059 -15.6154 761313.1177 3.7533 3.9493 PRESSURE: 2324600 107.304 -7.46996 -51.8426 -7.46894 -145.464 -212.53 -51.8422 -212.53 38.2555 GPRESSURE: 2324600 86.2882 60.8018 -36.7821 93.3068 -77.3998 -160.644 -117.003 -91.4657 87.9394 PRESSAVG: 2324600 36.9557 -54.7634 18.3808 -54.7635 -32.5773 -13.4413 18.3807 -13.4413 11.4058 GPRESSAVG: 2324600 36.9783 -54.8665 20.3747 -54.5426 -32.1768 -12.1583 15.8477 -12.5656 10.832 TIMING: 2324600 CPU: 7420.8, 0.0031735/step Wall: 7420.8, 0.0031735/step, 2.35844 hours remaining, 234.710938 MB of memory in use. ENERGY: 2324600 3960.1385 20380.5300 14510.4258 247.9768 -203694.7472 2740.3641 0.0000 0.0000 51901.6872 -109953.6248 298.2797 -161855.3120 -109581.6506 298.0792 0.0319 32.2759 760749.0171 5.2614 5.2111 PRESSURE: 2324800 -25.9211 86.1184 -117.092 86.1185 -261.757 116.555 -117.091 116.557 -53.8527 GPRESSURE: 2324800 -55.3569 -23.1368 -142.445 69.1233 -150.789 64.2858 -130.158 182.435 -51.7515 PRESSAVG: 2324800 -31.2442 -19.8629 -12.254 -19.863 25.7997 2.19623 -12.254 2.19626 -21.081 GPRESSAVG: 2324800 -31.1048 -21.2934 -13.3271 -19.2849 26.4999 0.687518 -11.2598 0.416547 -22.0612 TIMING: 2324800 CPU: 7421.44, 0.00319663/step Wall: 7421.44, 0.00319663/step, 2.37545 hours remaining, 234.710938 MB of memory in use. ENERGY: 2324800 4011.8283 20564.6527 14404.1038 258.0661 -203370.8843 2504.1176 0.0000 0.0000 51832.1472 -109795.9687 297.8801 -161628.1159 -109441.8979 298.1077 -113.8436 -85.9660 763439.7638 -8.8419 -8.8887 PRESSURE: 2325000 508.965 -340.108 -154.619 -340.108 -40.4086 -91.1863 -154.619 -91.1869 342.7 GPRESSURE: 2325000 519.012 -251.358 -127.843 -247.193 53.381 -187.1 -120.692 -147.157 307.83 PRESSAVG: 2325000 -55.4195 -38.0819 -31.6104 -38.0819 15.7415 -48.4329 -31.6104 -48.4328 11.153 GPRESSAVG: 2325000 -55.2994 -38.8975 -31.4392 -37.4472 16.5043 -49.1561 -31.396 -46.2448 10.1553 TIMING: 2325000 CPU: 7422.07, 0.00318171/step Wall: 7422.07, 0.00318171/step, 2.36419 hours remaining, 234.710938 MB of memory in use. ENERGY: 2325000 4084.5824 20416.1817 14445.1811 273.7559 -203910.6097 2940.1037 0.0000 0.0000 51998.7322 -109752.0727 298.8374 -161750.8049 -109389.2676 298.5513 270.4188 293.4078 761079.7176 -9.5084 -9.5466 PRESSURE: 2325200 232.058 33.6758 -67.5294 33.6757 242.372 -313.126 -67.5281 -313.125 -42.3684 GPRESSURE: 2325200 337.222 55.0026 -28.1213 -64.5811 255.012 -233.717 -72.4411 -206.659 -62.0123 PRESSAVG: 2325200 -65.4373 -64.4602 4.9725 -64.4602 15.9151 -8.62512 4.97249 -8.62514 -11.7907 GPRESSAVG: 2325200 -66.2736 -63.0069 5.39546 -65.1885 15.6298 -8.42917 5.48365 -8.31433 -10.072 TIMING: 2325200 CPU: 7422.7, 0.00316222/step Wall: 7422.7, 0.00316222/step, 2.34953 hours remaining, 234.710938 MB of memory in use. ENERGY: 2325200 3953.7136 20419.5230 14426.1074 248.4802 -203508.1616 2767.8353 0.0000 0.0000 51790.4028 -109902.0994 297.6402 -161692.5022 -109542.7669 298.3878 144.0207 176.7408 761702.5769 -20.4376 -20.2386 PRESSURE: 2325400 139.819 -143.882 -206.904 -143.882 133.129 100.19 -206.904 100.19 -237.727 GPRESSURE: 2325400 132.744 -226.791 -166.303 -250.427 259.05 21.5114 -228.158 54.5838 -245.299 PRESSAVG: 2325400 -25.6312 -33.1188 -14.0648 -33.1188 48.8732 -2.72805 -14.0648 -2.7281 -21.0567 GPRESSAVG: 2325400 -25.1307 -34.0405 -12.2245 -35.0427 49.9608 -0.684643 -15.2023 -4.39999 -22.2297 TIMING: 2325400 CPU: 7423.34, 0.00315977/step Wall: 7423.34, 0.00315977/step, 2.34753 hours remaining, 234.710938 MB of memory in use. ENERGY: 2325400 4050.9948 20320.1882 14430.4599 237.9399 -203741.4188 2870.1025 0.0000 0.0000 51839.7628 -109991.9707 297.9238 -161831.7335 -109628.8314 298.1757 11.7404 48.8316 761903.1361 0.7284 0.8668 PRESSURE: 2325600 -61.5354 -275.788 -29.5522 -275.788 -51.3739 45.4057 -29.5523 45.4056 172.136 GPRESSURE: 2325600 -50.8803 -238.398 -33.5947 -290.695 -4.88382 3.70473 10.1858 10.9569 198.725 PRESSAVG: 2325600 -16.8881 -56.2327 -2.97249 -56.2327 -6.51814 -58.7854 -2.97248 -58.7854 -12.5983 GPRESSAVG: 2325600 -17.3874 -55.242 -4.80505 -56.7906 -7.26896 -60.6894 -2.59764 -59.6616 -12.1981 TIMING: 2325600 CPU: 7423.97, 0.00315966/step Wall: 7423.97, 0.00315966/step, 2.34728 hours remaining, 234.710938 MB of memory in use. ENERGY: 2325600 3990.8873 20679.3535 14475.6804 252.8133 -203655.5156 2691.4384 0.0000 0.0000 51886.8771 -109678.4656 298.1946 -161565.3427 -109324.2400 298.1015 19.7421 47.6536 761824.3065 -12.0015 -12.2848 PRESSURE: 2325800 61.5679 -24.2781 -2.3096 -24.278 119.77 -282.201 -2.30971 -282.202 -52.3793 GPRESSURE: 2325800 12.6483 10.3392 -33.0017 -118.496 264.033 -314.019 48.2744 -193.675 -63.8186 PRESSAVG: 2325800 16.4105 -26.3252 -21.4397 -26.3253 21.6339 -24.2 -21.4398 -24.2 -21.8575 GPRESSAVG: 2325800 15.2488 -26.6136 -22.7734 -23.4202 22.7134 -24.6153 -20.7154 -22.6203 -21.8997 TIMING: 2325800 CPU: 7424.6, 0.00314067/step Wall: 7424.6, 0.00314067/step, 2.33299 hours remaining, 234.710938 MB of memory in use. ENERGY: 2325800 3953.0110 20235.8026 14469.9975 225.8610 -203482.8216 2798.2556 0.0000 0.0000 52222.3572 -109577.5369 300.1226 -161799.8940 -109201.1284 299.6975 42.9863 70.9542 761095.3660 5.3956 5.3542 PRESSURE: 2326000 -272.014 -21.5886 28.203 -21.5887 96.0036 135.24 28.2033 135.24 182.148 GPRESSURE: 2326000 -168.827 2.15252 -14.2968 13.3168 120.198 72.0853 -54.6617 135.233 131.868 PRESSAVG: 2326000 23.4701 15.911 -0.778053 15.911 5.22932 19.7317 -0.778031 19.7317 4.6873 GPRESSAVG: 2326000 24.115 17.3403 -1.13186 15.7241 5.18597 20.2561 0.187485 19.1226 4.28859 TIMING: 2326000 CPU: 7425.23, 0.00315431/step Wall: 7425.23, 0.00315431/step, 2.34295 hours remaining, 234.710938 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: 2326000 4011.1233 20449.2974 14487.1611 257.2138 -203163.5558 2607.4065 0.0000 0.0000 52065.0587 -109286.2950 299.2186 -161351.3537 -108933.1807 299.4848 2.0456 27.7464 760556.6984 11.1289 11.1965 PRESSURE: 2326200 72.1847 5.00086 -249.472 5.00112 94.9686 139.042 -249.472 139.041 -221.445 GPRESSURE: 2326200 153.358 14.5742 -230.105 -96.9036 70.4966 198.619 -220.435 70.7303 -186.327 PRESSAVG: 2326200 -9.60076 -13.1781 -11.9646 -13.1781 18.0654 25.4334 -11.9646 25.4334 -13.9934 GPRESSAVG: 2326200 -8.76938 -13.765 -10.8777 -13.8825 17.6423 25.619 -14.6762 25.5075 -14.4755 TIMING: 2326200 CPU: 7425.86, 0.0031647/step Wall: 7425.86, 0.0031647/step, 2.3505 hours remaining, 234.710938 MB of memory in use. ENERGY: 2326200 3977.3002 20483.9033 14491.0061 252.2345 -203407.1679 2714.9874 0.0000 0.0000 52064.4075 -109423.3289 299.2149 -161487.7363 -109072.1616 299.5620 -18.0971 12.5090 762265.5645 -1.8429 -1.8675 PRESSURE: 2326400 409.134 -265.823 -105.739 -265.824 -141.644 -51.0028 -105.74 -51.0037 275.793 GPRESSURE: 2326400 421.791 -146.201 -105.108 -287.965 -21.8336 31.8068 -83.641 -61.2575 231.387 PRESSAVG: 2326400 35.0516 -38.6802 -21.7487 -38.6802 9.2076 8.30052 -21.7487 8.30049 -14.7457 GPRESSAVG: 2326400 35.6046 -38.3179 -20.4122 -37.0889 8.30847 9.26898 -19.8879 10.1154 -13.963 TIMING: 2326400 CPU: 7426.49, 0.00314485/step Wall: 7426.49, 0.00314485/step, 2.33558 hours remaining, 234.710938 MB of memory in use. ENERGY: 2326400 4091.6608 20398.8393 14507.1372 251.8737 -203297.0165 2778.8916 0.0000 0.0000 51846.6914 -109421.9225 297.9636 -161268.6139 -109067.5498 299.7580 181.0942 210.4479 760589.8634 9.8378 9.9833 PRESSURE: 2326600 -291.79 -234.312 78.2987 -234.312 247.688 -410.352 78.2988 -410.352 -321.144 GPRESSURE: 2326600 -300.653 -81.1588 -46.5211 -328.108 255.579 -417.865 -7.05786 -422.367 -220.584 PRESSAVG: 2326600 21.2091 -57.1292 -29.9525 -57.1292 -39.1794 -69.9 -29.9525 -69.9 5.21748 GPRESSAVG: 2326600 18.8768 -58.3542 -30.5672 -57.4444 -37.5589 -70.4176 -30.217 -69.4268 5.94847 TIMING: 2326600 CPU: 7427.12, 0.00314623/step Wall: 7427.12, 0.00314623/step, 2.33642 hours remaining, 234.710938 MB of memory in use. ENERGY: 2326600 3999.9156 20404.6010 14460.8514 231.5816 -203267.3265 2800.7655 0.0000 0.0000 52024.9292 -109344.6822 298.9880 -161369.6114 -108976.6944 299.5117 -121.7484 -88.5524 762836.6535 -4.2509 -4.2445 PRESSURE: 2326800 -320.975 -236.36 93.7076 -236.36 -473.402 -100.14 93.7075 -100.141 -70.3214 GPRESSURE: 2326800 -261.947 -191.805 52.6737 -215.346 -448.34 -157.554 -82.0865 -58.1584 -61.2597 PRESSAVG: 2326800 -23.7727 -12.2653 16.5374 -12.2653 45.0898 16.494 16.5374 16.494 6.66925 GPRESSAVG: 2326800 -22.5894 -10.5396 17.678 -13.4774 43.9736 16.4842 17.7539 15.8759 6.92562 TIMING: 2326800 CPU: 7427.75, 0.00316689/step Wall: 7427.75, 0.00316689/step, 2.35159 hours remaining, 234.710938 MB of memory in use. ENERGY: 2326800 4036.6462 20486.1199 14503.4286 246.3835 -202990.8539 2247.4134 0.0000 0.0000 52152.7236 -109318.1387 299.7224 -161470.8623 -108956.6408 299.2430 -288.2326 -257.1822 763867.0185 9.3288 9.4366 PRESSURE: 2327000 22.8871 56.3488 -2.03289 56.3482 66.189 156.719 -2.03276 156.719 219.227 GPRESSURE: 2327000 93.3531 -3.69709 -5.35214 20.556 107.821 133.34 -37.5175 235.905 186.859 PRESSAVG: 2327000 -1.3443 -38.9013 -64.1038 -38.9013 8.25764 55.4475 -64.1039 55.4474 16.1222 GPRESSAVG: 2327000 -1.71322 -40.4403 -65.9285 -39.862 9.61004 54.8253 -65.1573 55.2301 15.4428 TIMING: 2327000 CPU: 7428.39, 0.0032093/step Wall: 7428.39, 0.0032093/step, 2.3829 hours remaining, 234.710938 MB of memory in use. ENERGY: 2327000 4017.0713 20464.1076 14524.7875 247.2260 -203253.3567 2723.4845 0.0000 0.0000 51955.4806 -109321.1993 298.5889 -161276.6799 -108961.6233 299.1832 102.7678 129.3442 762371.9839 7.6785 7.7799 PRESSURE: 2327200 -176.531 -132.84 44.6985 -132.841 -103.754 -128.436 44.6985 -128.435 -184.601 GPRESSURE: 2327200 -146.39 -97.3094 -12.3616 -98.3724 -57.1078 -161.555 -63.8331 -87.6897 -161.672 PRESSAVG: 2327200 -16.9109 7.98604 2.33285 7.98607 3.28012 38.3008 2.33288 38.3009 10.0125 GPRESSAVG: 2327200 -16.666 6.4723 2.26636 8.87702 3.08917 39.2073 3.44285 36.3604 9.96935 TIMING: 2327200 CPU: 7429.04, 0.00321465/step Wall: 7429.04, 0.00321465/step, 2.3867 hours remaining, 234.710938 MB of memory in use. ENERGY: 2327200 3932.7169 20489.3472 14513.0958 232.7949 -203265.2403 2393.4343 0.0000 0.0000 52242.5805 -109461.2707 300.2388 -161703.8512 -109089.2890 298.9833 -154.9621 -121.7235 762441.3637 -1.2061 -1.2025 PRESSURE: 2327400 200.796 -77.438 -159.119 -77.4382 479.771 7.97767 -159.119 7.97873 358.599 GPRESSURE: 2327400 293.448 -29.598 -161.821 -201.333 530.756 8.84366 -124.825 98.9003 311.576 PRESSAVG: 2327400 -56.3452 -28.4825 -23.6935 -28.4825 24.8231 -7.45312 -23.6935 -7.45306 -4.65933 GPRESSAVG: 2327400 -57.1298 -28.0648 -22.7021 -28.0258 23.7505 -5.71135 -26.9197 -6.31677 -2.99385 TIMING: 2327400 CPU: 7429.67, 0.00318274/step Wall: 7429.67, 0.00318274/step, 2.36283 hours remaining, 234.710938 MB of memory in use. ENERGY: 2327400 3952.1409 20491.0973 14539.3266 244.2268 -203582.8348 2940.7361 0.0000 0.0000 52057.7907 -109357.5164 299.1768 -161415.3071 -108988.1564 299.1961 346.3885 378.5935 762661.4624 -12.0605 -12.1244 PRESSURE: 2327600 -153.249 -77.2467 369.839 -77.2465 180.175 -180.693 369.84 -180.692 451.62 GPRESSURE: 2327600 -82.2764 -31.7203 327.143 2.20979 223.671 -238.656 300.701 -130.862 409.501 PRESSAVG: 2327600 11.0962 -53.5465 6.52275 -53.5465 -2.38372 27.6859 6.52276 27.6858 0.964251 GPRESSAVG: 2327600 11.3538 -50.8544 5.37274 -53.5439 -1.54115 25.77 9.17225 28.0329 -0.0538645 TIMING: 2327600 CPU: 7430.31, 0.00320633/step Wall: 7430.31, 0.00320633/step, 2.38016 hours remaining, 234.710938 MB of memory in use. ENERGY: 2327600 3893.2842 20571.3883 14516.4102 255.2519 -203658.2739 2756.5545 0.0000 0.0000 52287.7953 -109377.5896 300.4987 -161665.3848 -109013.5782 299.3052 159.5155 183.6320 763293.5348 3.2256 3.2529 PRESSURE: 2327800 -59.5253 -322.142 -12.6191 -322.141 89.1068 191.507 -12.6187 191.507 193.596 GPRESSURE: 2327800 60.3975 -366.523 -83.9171 -241.952 97.6643 102.551 45.5167 147.853 143.193 PRESSAVG: 2327800 24.6684 -61.7835 -57.9051 -61.7836 0.744029 7.4016 -57.9051 7.40167 -4.68111 GPRESSAVG: 2327800 26.0532 -64.4508 -58.1307 -60.6125 0.280973 6.43862 -58.3517 6.67278 -5.71812 TIMING: 2327800 CPU: 7430.95, 0.00317025/step Wall: 7430.95, 0.00317025/step, 2.3532 hours remaining, 234.710938 MB of memory in use. ENERGY: 2327800 3974.6152 20466.6732 14512.1527 242.0705 -203630.7443 2856.7301 0.0000 0.0000 52102.2980 -109476.2045 299.4326 -161578.5026 -109110.3233 299.2825 74.3925 100.4183 762756.5452 6.9104 6.8720 PRESSURE: 2328000 224.306 -194.918 -58.6809 -194.919 44.8973 288.33 -58.6815 288.33 300.907 GPRESSURE: 2328000 246.232 -187.993 -84.4233 -227.298 135.877 308.604 101.272 274.731 276.504 PRESSAVG: 2328000 -29.0376 -130.932 7.78478 -130.932 17.4632 -15.8083 7.78477 -15.8082 15.6464 GPRESSAVG: 2328000 -29.848 -131.926 8.1736 -131.776 16.9463 -15.1124 7.61189 -15.495 16.279 TIMING: 2328000 CPU: 7431.58, 0.0031796/step Wall: 7431.58, 0.0031796/step, 2.35997 hours remaining, 234.710938 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: 2328000 3915.5536 20522.6751 14456.9001 239.2382 -204003.7268 3003.7725 0.0000 0.0000 52158.4844 -109707.1028 299.7555 -161865.5872 -109336.5641 299.1418 190.0367 219.5376 760437.9075 1.3573 1.1258 PRESSURE: 2328200 -81.2935 -159.235 -68.7039 -159.234 -59.8677 -27.5172 -68.7047 -27.5182 36.8291 GPRESSURE: 2328200 -146.921 -213.632 -70.2452 -84.4775 -4.4041 -82.8227 -195.586 191.72 109.306 PRESSAVG: 2328200 38.1153 -57.1855 32.139 -57.1856 -18.98 -28.3166 32.1389 -28.3165 -9.4855 GPRESSAVG: 2328200 36.599 -55.587 32.5912 -56.4497 -18.6906 -26.507 31.4333 -27.659 -8.85566 TIMING: 2328200 CPU: 7432.22, 0.00318152/step Wall: 7432.22, 0.00318152/step, 2.36122 hours remaining, 234.710938 MB of memory in use. ENERGY: 2328200 3984.8561 20686.4872 14450.3896 247.9240 -204000.0998 2891.6442 0.0000 0.0000 51957.6761 -109781.1226 298.6015 -161738.7987 -109416.1944 299.1162 -34.7774 -14.0065 760418.8153 3.2166 3.0176 LDB: ============= START OF LOAD BALANCING ============== 7444.64 LDB: ============== END OF LOAD BALANCING =============== 7444.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.65 LDB: ============= START OF LOAD BALANCING ============== 7444.97 LDB: Largest compute 7033 load 0.035300 is 18.1% of average load 0.195440 LDB: Average compute 0.004409 is 2.3% of average load 0.195440 LDB: TIME 7444.97 LOAD: AVG 0.19544 MAX 0.214626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.895 MB LDB: TIME 7444.97 LOAD: AVG 0.19544 MAX 0.214626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: TIME 7444.97 LOAD: AVG 0.19544 MAX 0.214626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: ============== END OF LOAD BALANCING =============== 7444.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.98 PRESSURE: 2328400 -193.551 -66.596 -34.776 -66.5959 -208.64 -68.1491 -34.7759 -68.1498 -502.012 GPRESSURE: 2328400 -171.681 -110.196 72.1014 -20.3697 -88.2593 -18.4384 -66.327 -53.2555 -531.887 PRESSAVG: 2328400 20.7733 -32.5563 44.1098 -32.5562 22.5216 -20.9141 44.1098 -20.9141 3.91069 GPRESSAVG: 2328400 21.3682 -33.0251 43.8177 -33.883 22.7365 -22.2218 45.5709 -20.882 3.15819 TIMING: 2328400 CPU: 7432.87, 0.00326015/step Wall: 7432.87, 0.00326015/step, 2.41939 hours remaining, 234.703125 MB of memory in use. ENERGY: 2328400 4007.6268 20475.2252 14566.9543 259.4351 -203590.5734 2509.6181 0.0000 0.0000 52054.8076 -109716.9063 299.1597 -161771.7139 -109348.8237 299.0948 -301.4008 -263.9422 763217.6285 15.7352 15.7543 PRESSURE: 2328600 -55.6769 -175.023 229.23 -175.023 219.403 -75.8385 229.231 -75.8371 141.548 GPRESSURE: 2328600 32.8312 -102.332 189.41 -97.652 217.49 -18.1909 166.401 -33.1332 155.798 PRESSAVG: 2328600 19.7955 -37.834 33.8492 -37.834 7.73037 45.0703 33.8492 45.0703 26.9331 GPRESSAVG: 2328600 20.2457 -36.7312 34.29 -37.6515 8.04881 44.4494 33.2414 45.0861 25.7362 TIMING: 2328600 CPU: 7433.5, 0.0031594/step Wall: 7433.5, 0.0031594/step, 2.34445 hours remaining, 234.703125 MB of memory in use. ENERGY: 2328600 4094.3195 20340.8999 14466.3075 238.5004 -203609.6857 2744.8071 0.0000 0.0000 52002.4114 -109722.4400 298.8586 -161724.8514 -109359.5039 299.0864 101.7581 135.3730 758861.1222 18.1530 18.0102 PRESSURE: 2328800 -416.685 -8.95239 64.7962 -8.95217 -37.1511 -230.841 64.7957 -230.841 416.339 GPRESSURE: 2328800 -301.429 -87.7395 116.363 63.249 -39.328 -192.742 69.1983 -317.375 415.567 PRESSAVG: 2328800 -36.6863 -5.41086 -8.92622 -5.41087 33.4208 -9.41016 -8.92626 -9.41017 4.27409 GPRESSAVG: 2328800 -37.2469 -5.4625 -8.17762 -6.07478 32.6787 -10.0499 -8.89642 -10.5513 5.88801 TIMING: 2328800 CPU: 7434.14, 0.00317618/step Wall: 7434.14, 0.00317618/step, 2.35673 hours remaining, 234.703125 MB of memory in use. ENERGY: 2328800 4070.3277 20415.3414 14519.3925 233.1218 -203988.0687 3089.1617 0.0000 0.0000 51947.0672 -109713.6566 298.5405 -161660.7238 -109360.8131 298.9849 -12.4988 24.9368 761224.6783 0.3362 0.4399 PRESSURE: 2329000 -186.313 -59.2945 -358.719 -59.2947 143.199 47.7033 -358.719 47.7051 6.18976 GPRESSURE: 2329000 -165.98 -57.8687 -282.126 11.4538 214.278 80.0348 -418.897 131.673 -9.0331 PRESSAVG: 2329000 -33.7042 -61.5881 -45.769 -61.5881 0.958315 48.1034 -45.769 48.1035 -20.1597 GPRESSAVG: 2329000 -33.0697 -61.7004 -47.8482 -61.4819 1.12344 47.5979 -46.2296 50.1156 -21.1685 TIMING: 2329000 CPU: 7434.77, 0.0031683/step Wall: 7434.77, 0.0031683/step, 2.35071 hours remaining, 234.703125 MB of memory in use. ENERGY: 2329000 4027.3462 20419.2220 14581.4833 249.1021 -203572.9878 2742.0799 0.0000 0.0000 51943.3742 -109610.3800 298.5193 -161553.7542 -109250.1776 298.7060 -12.3081 13.0882 762818.0984 -17.6352 -17.7049 PRESSURE: 2329200 274.029 -101.766 135.132 -101.765 203.692 262.576 135.133 262.575 8.45021 GPRESSURE: 2329200 329.748 -25.6343 134.402 -98.2956 234.242 248.925 110.435 271.144 -12.3268 PRESSAVG: 2329200 -13.2772 -21.8156 5.13662 -21.8156 -31.6217 9.1061 5.13661 9.10614 15.8229 GPRESSAVG: 2329200 -13.1282 -20.7786 4.88365 -21.9764 -32.0193 7.29241 5.77076 7.8808 15.814 TIMING: 2329200 CPU: 7435.41, 0.00318708/step Wall: 7435.41, 0.00318708/step, 2.36446 hours remaining, 234.703125 MB of memory in use. ENERGY: 2329200 3950.1286 20381.6864 14547.3371 235.0548 -203529.4123 2686.2971 0.0000 0.0000 52276.3553 -109452.5529 300.4329 -161728.9083 -109067.7720 299.4579 162.0572 183.8880 761668.3440 -9.6920 -9.7778 PRESSURE: 2329400 294.356 -48.3051 59.691 -48.3058 64.1647 -45.5043 59.6907 -45.5041 -201.537 GPRESSURE: 2329400 281.005 88.5475 102.662 -81.3445 144.238 18.7072 -82.4778 -30.9232 -205.343 PRESSAVG: 2329400 18.9802 -19.9672 -24.429 -19.9672 -0.437521 5.60485 -24.4291 5.60485 2.98034 GPRESSAVG: 2329400 18.6798 -22.356 -22.9114 -17.3713 -2.58388 8.93136 -25.0836 6.07987 5.56107 TIMING: 2329400 CPU: 7436.04, 0.0031581/step Wall: 7436.04, 0.0031581/step, 2.34278 hours remaining, 234.703125 MB of memory in use. ENERGY: 2329400 4035.3065 20599.5303 14464.0744 258.5028 -203387.8093 2613.8460 0.0000 0.0000 52045.5554 -109370.9939 299.1065 -161416.5494 -109008.5862 299.4909 52.3279 73.3001 761980.9709 7.1743 7.2190 PRESSURE: 2329600 -192.529 -48.2879 -122.419 -48.2875 -233.993 -92.8501 -122.419 -92.8504 274.957 GPRESSURE: 2329600 -134.869 -25.0734 -102.625 -4.02853 -112.679 -77.3716 -121.74 -42.5781 182.679 PRESSAVG: 2329600 6.91295 -65.2782 19.2163 -65.2782 8.58098 -32.482 19.2163 -32.4821 -2.07837 GPRESSAVG: 2329600 6.8878 -67.2551 18.4573 -65.3865 11.2293 -32.943 17.9926 -34.3186 -4.12188 TIMING: 2329600 CPU: 7436.68, 0.00316425/step Wall: 7436.68, 0.00316425/step, 2.34717 hours remaining, 234.703125 MB of memory in use. ENERGY: 2329600 4011.1440 20688.0927 14550.5431 241.7370 -203798.3313 2652.3109 0.0000 0.0000 52231.8529 -109422.6509 300.1772 -161654.5037 -109048.3522 299.7071 -50.5218 -21.6230 760212.4131 4.4719 4.6651 PRESSURE: 2329800 27.1736 -7.94971 -110.545 -7.95124 -44.1696 -80.4533 -110.546 -80.4537 -158.952 GPRESSURE: 2329800 53.671 -85.7914 -234.206 -19.1141 -83.47 -98.8193 -34.3574 -62.2219 -49.6247 PRESSAVG: 2329800 49.0027 -102.485 17.8704 -102.485 -41.3077 -23.1744 17.8704 -23.1744 5.14891 GPRESSAVG: 2329800 47.9543 -99.4755 18.6052 -105.096 -41.6371 -22.9658 17.9767 -22.3051 6.19057 TIMING: 2329800 CPU: 7437.31, 0.00317403/step Wall: 7437.31, 0.00317403/step, 2.35425 hours remaining, 234.703125 MB of memory in use. ENERGY: 2329800 4027.2346 20534.4893 14527.2947 267.4906 -203606.7262 2520.7609 0.0000 0.0000 52042.5325 -109686.9235 299.0891 -161729.4561 -109326.6218 299.5351 -58.6492 -26.4746 760149.0851 4.2813 4.1692 PRESSURE: 2330000 -359.773 0.304648 103.41 0.305375 -401.03 154.327 103.41 154.327 -492.789 GPRESSURE: 2330000 -310.069 -4.73783 16.9514 99.7508 -399.388 130.665 161.039 162.141 -461.9 PRESSAVG: 2330000 9.32877 -28.5708 -0.239408 -28.5708 -7.54532 10.8727 -0.239377 10.8727 -4.63903 GPRESSAVG: 2330000 11.7845 -29.6175 -0.579337 -28.5004 -9.37176 9.19092 0.162364 10.5805 -5.70665 TIMING: 2330000 CPU: 7437.95, 0.00321236/step Wall: 7437.95, 0.00321237/step, 2.3825 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2330000 4059.3869 20578.8656 14546.9463 261.2534 -203223.2965 2064.8532 0.0000 0.0000 51936.0723 -109775.9189 298.4773 -161711.9912 -109419.0886 299.0049 -417.8640 -390.4522 760511.1427 -0.9519 -1.0980 PRESSURE: 2330200 -384.062 43.4922 -11.1413 43.4919 -95.3202 193.12 -11.1411 193.119 -17.8181 GPRESSURE: 2330200 -349.896 -105.391 29.0588 -20.9324 -41.2353 133.434 -17.3276 160.104 -38.6546 PRESSAVG: 2330200 42.1686 39.9671 12.1952 39.9671 -42.3789 1.21789 12.1952 1.21788 1.9211 GPRESSAVG: 2330200 39.8507 40.5538 12.0051 40.749 -40.794 2.51691 12.7881 2.38141 2.58098 TIMING: 2330200 CPU: 7438.59, 0.00317391/step Wall: 7438.59, 0.00317391/step, 2.3538 hours remaining, 234.703125 MB of memory in use. ENERGY: 2330200 4049.0191 20746.1240 14561.4671 250.6578 -203355.9479 2379.9965 0.0000 0.0000 51805.4606 -109563.2229 297.7267 -161368.6835 -109210.4753 299.1175 -165.7333 -143.2619 760302.8149 0.5703 0.5459 PRESSURE: 2330400 -49.4973 250.302 86.0897 250.302 -16.8154 -58.9328 86.0898 -58.9325 -65.1243 GPRESSURE: 2330400 -44.8872 168.206 21.5628 193.119 77.861 -6.44025 125.039 -116.937 -89.0031 PRESSAVG: 2330400 20.8755 49.2831 -37.7286 49.283 7.7832 -31.7354 -37.7286 -31.7355 3.49936 GPRESSAVG: 2330400 22.6739 47.7664 -39.4387 47.3635 6.71002 -31.0505 -38.7228 -31.7582 2.78597 TIMING: 2330400 CPU: 7439.22, 0.00318221/step Wall: 7439.22, 0.00318221/step, 2.35978 hours remaining, 234.703125 MB of memory in use. ENERGY: 2330400 4051.7052 20597.6620 14538.5526 256.2017 -203377.6328 2448.1152 0.0000 0.0000 51665.0183 -109820.3778 296.9196 -161485.3961 -109462.8158 298.6603 -43.8124 -18.6764 761397.7022 10.7193 10.7233 PRESSURE: 2330600 352.382 -179.337 -75.3856 -179.336 3.90082 -91.3946 -75.3849 -91.3953 -113.393 GPRESSURE: 2330600 384.345 -252.36 -26.0867 -141.389 -16.0249 -91.1472 -151.772 -76.9717 -37.8683 PRESSAVG: 2330600 -9.68699 -36.7386 14.325 -36.7385 10.0745 29.0407 14.3249 29.0406 -18.2741 GPRESSAVG: 2330600 -11.6843 -36.1923 15.5552 -33.1101 10.5895 30.0662 14.2169 27.7099 -16.5661 TIMING: 2330600 CPU: 7439.85, 0.00314013/step Wall: 7439.85, 0.00314013/step, 2.3284 hours remaining, 234.703125 MB of memory in use. ENERGY: 2330600 4025.2779 20587.5488 14451.0162 250.2596 -203236.2165 2268.9039 0.0000 0.0000 52011.9701 -109641.2400 298.9135 -161653.2101 -109270.8823 298.4978 80.9634 110.1505 758501.0393 -5.9622 -5.8870 PRESSURE: 2330800 252.126 -333.439 6.20183 -333.439 -139.285 -11.6123 6.20217 -11.6121 -23.9814 GPRESSURE: 2330800 212.534 -155.066 4.49822 -283.301 5.76996 -35.2693 84.6407 31.3236 -33.3192 PRESSAVG: 2330800 11.5058 -82.7278 6.03877 -82.7278 -47.9483 -41.2033 6.0387 -41.2033 5.80491 GPRESSAVG: 2330800 13.7747 -81.8907 6.7377 -82.9051 -48.0186 -44.9296 6.93734 -38.3522 4.00007 TIMING: 2330800 CPU: 7440.48, 0.00315574/step Wall: 7440.48, 0.00315574/step, 2.33981 hours remaining, 234.703125 MB of memory in use. ENERGY: 2330800 4009.6882 20505.2110 14483.2123 228.1749 -202719.1710 2184.9195 0.0000 0.0000 51829.5634 -109478.4017 297.8652 -161307.9651 -109106.6799 298.5083 29.6199 61.6616 759562.2583 -10.2125 -10.0813 PRESSURE: 2331000 86.1011 -130.937 55.7359 -130.937 3.03673 17.556 55.7369 17.5553 -81.216 GPRESSURE: 2331000 112.295 -55.3919 -35.2229 -152.235 -11.0382 133.689 58.6496 78.1152 -6.24277 PRESSAVG: 2331000 8.34271 -35.2257 26.9431 -35.2258 -23.8434 -16.3908 26.9431 -16.3908 8.89881 GPRESSAVG: 2331000 6.24899 -33.6609 27.1397 -37.962 -22.231 -13.9485 26.1041 -20.8408 9.26662 TIMING: 2331000 CPU: 7441.12, 0.00319498/step Wall: 7441.12, 0.00319498/step, 2.36872 hours remaining, 234.703125 MB of memory in use. ENERGY: 2331000 4085.1506 20446.6850 14484.5514 244.8460 -203357.3429 2470.2969 0.0000 0.0000 52231.7939 -109394.0191 300.1768 -161625.8130 -109032.2480 299.2715 2.6406 31.6712 760436.7053 -2.2006 -2.2385 PRESSURE: 2331200 -156.939 132.364 25.181 132.363 -348.957 -69.6361 25.1818 -69.6364 -120.554 GPRESSURE: 2331200 -70.8162 -27.7686 9.68757 164.076 -272.988 -68.8832 -43.7302 142.849 -184.408 PRESSAVG: 2331200 32.203 -51.9738 21.5109 -51.9738 -25.8865 49.7827 21.5109 49.7827 -14.4476 GPRESSAVG: 2331200 34.0774 -53.9761 21.3368 -51.0812 -27.3989 49.8503 21.5508 51.3352 -14.6502 TIMING: 2331200 CPU: 7441.76, 0.00318003/step Wall: 7441.76, 0.00318003/step, 2.35746 hours remaining, 234.703125 MB of memory in use. ENERGY: 2331200 3992.5336 20498.6255 14564.0322 248.8915 -203597.5541 2650.0732 0.0000 0.0000 52095.8000 -109547.5981 299.3953 -161643.3981 -109181.5051 299.3654 -208.8169 -176.0709 761092.5485 -2.7104 -2.6572 PRESSURE: 2331400 101.685 -108.876 194.521 -108.876 189.864 -73.4945 194.52 -73.4947 26.2255 GPRESSURE: 2331400 214.137 -41.4583 234.631 -120.828 154.25 -117.256 108.09 87.6804 26.9993 PRESSAVG: 2331400 21.085 -46.5447 19.2869 -46.5446 -42.0373 34.6522 19.2869 34.6522 13.8523 GPRESSAVG: 2331400 20.8267 -47.4606 20.2101 -45.4686 -41.7539 32.5648 19.0934 36.6857 13.7797 TIMING: 2331400 CPU: 7442.39, 0.00315951/step Wall: 7442.39, 0.00315951/step, 2.34208 hours remaining, 234.703125 MB of memory in use. ENERGY: 2331400 4009.5036 20509.7153 14496.6784 246.6121 -203413.6000 2611.6025 0.0000 0.0000 52114.4663 -109425.0219 299.5026 -161539.4882 -109063.9231 299.4304 105.9249 131.7955 760180.2927 -2.3667 -2.3825 PRESSURE: 2331600 188.428 -32.9227 137.737 -32.9234 -72.6623 -220.321 137.737 -220.321 436.167 GPRESSURE: 2331600 267.86 -34.0333 96.4338 -55.1667 -23.512 -172.49 -31.2188 -242.135 396.868 PRESSAVG: 2331600 11.4977 -40.1282 6.88736 -40.1282 -17.4021 -27.72 6.8873 -27.72 -11.0102 GPRESSAVG: 2331600 11.314 -39.213 6.56819 -41.4912 -17.6945 -25.9554 7.78752 -26.8097 -10.2157 TIMING: 2331600 CPU: 7443.03, 0.00318075/step Wall: 7443.03, 0.00318075/step, 2.35764 hours remaining, 234.703125 MB of memory in use. ENERGY: 2331600 4009.3992 20530.7587 14501.1893 259.1449 -203250.8990 2422.7510 0.0000 0.0000 52275.9487 -109251.7072 300.4306 -161527.6559 -108900.4893 299.9995 183.9775 213.7385 760044.9138 -5.6382 -5.5321 PRESSURE: 2331800 277.009 38.4763 83.9381 38.4769 -186.459 -141.01 83.9379 -141.011 -309.874 GPRESSURE: 2331800 362.708 41.3805 1.82749 -39.8609 -205.674 -189.42 9.99831 -206.691 -294.762 PRESSAVG: 2331800 34.7595 -60.8199 -13.5333 -60.8198 -37.2772 -57.104 -13.5333 -57.104 -1.34447 GPRESSAVG: 2331800 33.6026 -60.4839 -15.6704 -61.3903 -36.6502 -57.0854 -14.521 -59.1057 -1.13515 TIMING: 2331800 CPU: 7443.66, 0.00316884/step Wall: 7443.66, 0.00316884/step, 2.34864 hours remaining, 234.703125 MB of memory in use. ENERGY: 2331800 4020.3695 20371.2381 14509.6395 239.8414 -203256.2338 2713.4646 0.0000 0.0000 52315.0435 -109086.6372 300.6553 -161401.6807 -108724.0402 299.8586 -73.1083 -45.9093 762262.2680 -1.2874 -1.3942 PRESSURE: 2332000 37.2891 -110.456 45.6973 -110.456 -213.12 -41.7384 45.6966 -41.7395 -15.791 GPRESSURE: 2332000 18.1465 -76.2541 99.6317 -92.3804 -158.825 -36.2806 39.7596 -51.1948 42.9441 PRESSAVG: 2332000 53.2823 -21.7892 14.2627 -21.7892 -32.5661 20.0484 14.2627 20.0485 22.2427 GPRESSAVG: 2332000 55.3262 -21.4251 15.3055 -21.0931 -34.1702 18.5796 14.0011 20.2439 21.6454 TIMING: 2332000 CPU: 7444.3, 0.00318533/step Wall: 7444.3, 0.00318533/step, 2.36069 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2332000 4035.6438 20380.0360 14537.6960 235.0644 -203006.0805 2627.2419 0.0000 0.0000 52101.0499 -109089.3486 299.4254 -161190.3985 -108731.6852 299.8185 -63.8741 -32.5780 761568.1051 14.3196 14.2672 PRESSURE: 2332200 152.942 20.1214 172.723 20.1214 4.75842 36.4371 172.722 36.4376 -371.515 GPRESSURE: 2332200 210.14 50.6049 143.931 82.483 -54.8971 74.5545 278.331 -22.4984 -308.453 PRESSAVG: 2332200 12.5413 -3.36657 13.8372 -3.36663 16.0633 16.0075 13.8371 16.0074 9.09479 GPRESSAVG: 2332200 10.9746 -3.82901 13.4466 -3.25325 17.0639 17.6949 15.9754 14.0463 9.281 TIMING: 2332200 CPU: 7444.93, 0.00315289/step Wall: 7444.93, 0.00315289/step, 2.33647 hours remaining, 234.703125 MB of memory in use. ENERGY: 2332200 4087.3612 20767.5403 14539.0731 248.5533 -203243.1850 2411.3978 0.0000 0.0000 51958.8068 -109230.4526 298.6080 -161189.2594 -108872.8055 299.5062 -71.2717 -51.0700 762120.3752 12.5664 12.4398 LDB: ============= START OF LOAD BALANCING ============== 7457.35 LDB: ============== END OF LOAD BALANCING =============== 7457.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.35 LDB: ============= START OF LOAD BALANCING ============== 7457.67 LDB: Largest compute 7024 load 0.035954 is 18.4% of average load 0.195429 LDB: Average compute 0.004391 is 2.2% of average load 0.195429 LDB: TIME 7457.68 LOAD: AVG 0.195429 MAX 0.214945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.027 MB LDB: TIME 7457.68 LOAD: AVG 0.195429 MAX 0.214945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: TIME 7457.68 LOAD: AVG 0.195429 MAX 0.214945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: ============== END OF LOAD BALANCING =============== 7457.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.68 PRESSURE: 2332400 -301.995 -118.532 57.3423 -118.532 -401.255 -31.1792 57.3424 -31.1784 -50.4268 GPRESSURE: 2332400 -332.845 -20.2588 -55.9104 -32.0878 -265.396 14.9786 -73.1638 -33.0515 -61.5058 PRESSAVG: 2332400 56.3637 -23.7863 -2.46905 -23.7863 -52.8011 12.0791 -2.46902 12.0791 -2.92823 GPRESSAVG: 2332400 56.3751 -24.8942 -2.23083 -24.3964 -51.9095 10.9195 -5.12493 12.8653 -3.94332 TIMING: 2332400 CPU: 7445.58, 0.00325126/step Wall: 7445.58, 0.00325126/step, 2.40918 hours remaining, 234.453125 MB of memory in use. ENERGY: 2332400 3941.4914 20644.3546 14480.5958 235.1721 -203099.6802 2584.6572 0.0000 0.0000 51952.0158 -109261.3934 298.5689 -161213.4091 -108910.4969 299.8066 -251.2257 -219.9157 762890.8181 0.2114 0.1741 PRESSURE: 2332600 57.8748 -170.834 -147.806 -170.835 165.723 -181.945 -147.807 -181.945 178.456 GPRESSURE: 2332600 159.137 -38.4307 -104.558 -128.55 101.242 -123.8 -84.4468 -168.543 235.998 PRESSAVG: 2332600 -2.72221 -34.7046 -15.7926 -34.7045 4.78705 15.2317 -15.7927 15.2317 -3.4039 GPRESSAVG: 2332600 -3.6328 -32.3986 -16.4142 -34.8944 3.61003 15.7443 -15.1275 17.3242 -1.11208 TIMING: 2332600 CPU: 7446.21, 0.00317115/step Wall: 7446.21, 0.00317115/step, 2.34965 hours remaining, 234.453125 MB of memory in use. ENERGY: 2332600 4034.7292 20597.2059 14475.0083 264.9020 -203848.7045 2835.6657 0.0000 0.0000 52150.3055 -109490.8880 299.7085 -161641.1934 -109130.0265 299.6920 134.0179 165.4589 760484.4628 -0.4464 -0.3783 PRESSURE: 2332800 -274.706 7.65482 106.317 7.65483 -73.7518 63.5979 106.316 63.5989 53.0164 GPRESSURE: 2332800 -265.724 12.1939 157.451 102.874 -65.4802 34.6642 134.086 56.4968 109.584 PRESSAVG: 2332800 -50.2948 -27.635 35.3508 -27.635 -2.53476 60.0647 35.3508 60.0647 16.613 GPRESSAVG: 2332800 -49.3276 -28.2587 35.3847 -27.6633 -2.32362 59.0836 34.8133 58.3834 15.6103 TIMING: 2332800 CPU: 7446.84, 0.00316415/step Wall: 7446.84, 0.00316415/step, 2.34429 hours remaining, 234.453125 MB of memory in use. ENERGY: 2332800 3986.1031 20419.9423 14490.1787 258.5093 -203128.2272 2578.8560 0.0000 0.0000 52203.2768 -109191.3610 300.0129 -161394.6378 -108819.4194 299.5226 -98.4804 -73.8735 761902.2394 -12.0722 -12.0137 PRESSURE: 2333000 -179.807 -383.941 -103.075 -383.941 -487.678 -58.7298 -103.075 -58.7313 -66.5063 GPRESSURE: 2333000 -131.711 -343.512 -144.924 -317.947 -505.152 -78.7858 -135.588 -41.8507 -17.9362 PRESSAVG: 2333000 -26.3126 -58.9091 -7.93159 -58.9091 -15.3224 -9.6787 -7.93157 -9.67869 -4.26253 GPRESSAVG: 2333000 -26.4003 -59.0019 -8.2633 -58.5978 -16.2669 -9.0129 -7.09947 -9.97271 -3.82532 TIMING: 2333000 CPU: 7447.47, 0.00314095/step Wall: 7447.47, 0.00314095/step, 2.32692 hours remaining, 234.453125 MB of memory in use. ENERGY: 2333000 4037.8673 20510.4146 14460.9622 257.6360 -203135.3142 2536.3380 0.0000 0.0000 51977.8686 -109354.2276 298.7175 -161332.0961 -108992.1357 299.5157 -244.6638 -218.2662 762716.2202 -15.2992 -15.4975 PRESSURE: 2333200 -121.422 75.0879 -121.764 75.0878 -444.168 4.84295 -121.764 4.84221 -140.637 GPRESSURE: 2333200 -101.502 73.1178 -188.009 4.68007 -311.44 22.6308 -161.7 -3.92841 -222.097 PRESSAVG: 2333200 24.3393 -83.3512 -46.4249 -83.3512 -4.62835 -10.8946 -46.4249 -10.8946 21.3192 GPRESSAVG: 2333200 24.7017 -84.5081 -46.0685 -81.3773 -4.7205 -11.9837 -46.5208 -10.6107 21.6488 TIMING: 2333200 CPU: 7448.1, 0.00314562/step Wall: 7448.1, 0.00314562/step, 2.33021 hours remaining, 234.453125 MB of memory in use. ENERGY: 2333200 4004.7832 20488.2119 14481.7762 240.3188 -203405.1184 2516.9750 0.0000 0.0000 52231.8296 -109441.2236 300.1770 -161673.0533 -109078.5053 299.6783 -235.4090 -211.6795 761599.2208 13.6767 13.8767 PRESSURE: 2333400 -119.702 -177.232 -215.642 -177.231 225.632 146.625 -215.642 146.625 240.039 GPRESSURE: 2333400 -110.054 45.0672 -226.328 -191.386 206.726 88.1291 -87.7382 46.9721 335.559 PRESSAVG: 2333400 -38.0038 -48.2439 -49.9013 -48.2438 16.5942 -9.3933 -49.9013 -9.39338 14.6627 GPRESSAVG: 2333400 -38.9692 -47.8197 -48.5287 -50.1443 17.2002 -8.36525 -49.4547 -9.75953 14.9752 TIMING: 2333400 CPU: 7448.74, 0.00317985/step Wall: 7448.74, 0.00317985/step, 2.35538 hours remaining, 234.453125 MB of memory in use. ENERGY: 2333400 4065.9810 20575.6478 14531.0320 256.0207 -203615.6133 2691.9467 0.0000 0.0000 52187.1731 -109307.8120 299.9204 -161494.9851 -108951.0505 300.0128 115.3231 144.0771 759782.9141 -2.2490 -2.2646 PRESSURE: 2333600 -115.456 -86.9423 -54.3604 -86.9421 -30.1597 18.6386 -54.3604 18.6387 -73.5143 GPRESSURE: 2333600 -36.9995 -100.48 -141.043 -10.0476 -16.5336 32.7147 -17.8058 -107.035 -63.0014 PRESSAVG: 2333600 0.485758 -83.5649 0.238509 -83.5649 20.2401 71.6345 0.238492 71.6345 16.3174 GPRESSAVG: 2333600 2.05745 -81.5724 -1.71931 -84.0816 20.2892 71.2791 0.0381938 72.3022 14.7123 TIMING: 2333600 CPU: 7449.37, 0.00318088/step Wall: 7449.37, 0.00318088/step, 2.35597 hours remaining, 234.453125 MB of memory in use. ENERGY: 2333600 3973.0740 20358.5878 14497.2565 240.6503 -203006.5678 2368.1553 0.0000 0.0000 51925.6163 -109643.2276 298.4172 -161568.8438 -109280.8257 299.5596 -73.0432 -38.8449 760932.4122 12.3478 12.3530 PRESSURE: 2333800 -59.1637 43.3528 193.805 43.3519 365.178 -260.238 193.805 -260.238 -344.286 GPRESSURE: 2333800 12.4262 14.1606 156.899 -25.4738 340.22 -173.69 -19.9964 -248.796 -299.03 PRESSAVG: 2333800 -14.8517 -39.0874 -8.61255 -39.0874 14.762 2.25261 -8.61259 2.25261 -0.402405 GPRESSAVG: 2333800 -15.4627 -40.3534 -7.97011 -39.0235 14.8262 2.28082 -9.24521 2.58514 0.729836 TIMING: 2333800 CPU: 7450.01, 0.00317898/step Wall: 7450.01, 0.00317898/step, 2.35439 hours remaining, 234.453125 MB of memory in use. ENERGY: 2333800 3996.9929 20573.3373 14380.5263 245.9637 -203452.8245 2678.8212 0.0000 0.0000 52061.0864 -109516.0967 299.1958 -161577.1831 -109162.8603 299.1034 -12.7572 17.8722 761405.0248 -0.1641 0.0311 PRESSURE: 2334000 -195.484 108.62 -4.65299 108.62 -212.965 25.3844 -4.65297 25.3851 183.793 GPRESSURE: 2334000 -119.294 4.15432 -4.25714 59.2039 -173.758 39.0772 84.4512 49.3061 160.22 PRESSAVG: 2334000 16.5209 -46.1417 -11.985 -46.1418 10.6497 -53.334 -11.9849 -53.3341 10.4894 GPRESSAVG: 2334000 16.4584 -44.5049 -10.1482 -45.9745 9.78358 -53.1671 -12.5207 -54.4863 11.5062 TIMING: 2334000 CPU: 7450.64, 0.00315162/step Wall: 7450.64, 0.00315162/step, 2.33395 hours remaining, 234.453125 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: 2334000 3999.3096 20606.4298 14512.6222 254.1717 -203525.8513 2632.7516 0.0000 0.0000 52060.3459 -109460.2204 299.1915 -161520.5663 -109102.7953 298.9871 -74.8852 -44.2776 761784.1554 12.5533 12.5827 PRESSURE: 2334200 -4.24756 -209.474 138.733 -209.474 94.301 -51.782 138.734 -51.7817 88.4606 GPRESSURE: 2334200 -5.58785 -109.997 152.544 -187.873 136.173 -3.69068 120.275 -76.9452 137.474 PRESSAVG: 2334200 13.4575 -12.7132 4.56476 -12.7133 -52.6676 -2.97368 4.56476 -2.97362 21.7807 GPRESSAVG: 2334200 12.761 -12.8146 3.85902 -11.8296 -51.6065 -4.14494 5.05791 -1.04462 21.3397 TIMING: 2334200 CPU: 7451.27, 0.00314358/step Wall: 7451.27, 0.00314358/step, 2.32782 hours remaining, 234.453125 MB of memory in use. ENERGY: 2334200 3993.3504 20462.5013 14587.9443 255.2471 -203300.8676 2435.3993 0.0000 0.0000 52216.5758 -109349.8494 300.0894 -161566.4252 -108985.6328 299.4569 59.5047 89.3530 760299.2759 -5.8098 -5.8353 PRESSURE: 2334400 -18.6058 -58.9069 -204.302 -58.9065 -36.0996 -126.131 -204.303 -126.132 73.7591 GPRESSURE: 2334400 54.7544 -179.929 -121.827 -54.164 -14.1214 -126.997 -220.304 -210.675 50.5788 PRESSAVG: 2334400 63.2263 -31.3632 -17.2351 -31.3632 -66.6318 8.45257 -17.2351 8.4524 14.1824 GPRESSAVG: 2334400 63.4903 -31.6579 -16.8248 -32.2725 -66.6016 10.7877 -17.3339 6.05145 13.7951 TIMING: 2334400 CPU: 7451.9, 0.00314978/step Wall: 7451.9, 0.00314978/step, 2.33223 hours remaining, 234.453125 MB of memory in use. ENERGY: 2334400 3968.6863 20603.6648 14516.9689 248.7465 -203443.1712 2551.2058 0.0000 0.0000 52198.7724 -109355.1264 299.9871 -161553.8988 -108985.3442 299.4134 6.3512 30.4039 759942.3289 3.5923 3.5613 PRESSURE: 2334600 -18.3716 148.01 69.1638 148.01 -148.605 -14.393 69.1643 -14.3941 172.202 GPRESSURE: 2334600 -26.1719 122.874 6.55659 118.421 -37.0546 -36.4299 -4.54949 86.7521 176.415 PRESSAVG: 2334600 -0.0803078 35.6116 -24.4365 35.6116 -11.9888 -15.2466 -24.4365 -15.2466 9.5775 GPRESSAVG: 2334600 0.561193 36.2819 -26.4614 36.5342 -11.3947 -17.5046 -23.0314 -15.1504 8.84056 TIMING: 2334600 CPU: 7452.53, 0.00314846/step Wall: 7452.53, 0.00314846/step, 2.33109 hours remaining, 234.453125 MB of memory in use. ENERGY: 2334600 4024.4981 20505.3305 14499.2198 235.2126 -203011.5511 2337.9345 0.0000 0.0000 51913.3748 -109495.9808 298.3469 -161409.3556 -109135.2735 299.3796 1.7415 37.7294 761484.4851 -0.8305 -0.6643 PRESSURE: 2334800 -168.077 -222.281 -50.7482 -222.28 52.8988 64.0117 -50.7467 64.0102 60.4551 GPRESSURE: 2334800 -91.9462 -272.989 -101.193 -250.512 -70.713 75.1872 -29.897 95.8883 222.365 PRESSAVG: 2334800 42.7979 3.95415 2.06975 3.95411 17.3183 -28.9579 2.06974 -28.9579 7.00648 GPRESSAVG: 2334800 42.5133 3.94434 3.3315 2.15626 15.5793 -27.5752 2.41608 -27.1649 8.82304 TIMING: 2334800 CPU: 7453.16, 0.00313866/step Wall: 7453.16, 0.00313866/step, 2.32365 hours remaining, 234.453125 MB of memory in use. ENERGY: 2334800 3970.8027 20379.2985 14496.9882 252.8154 -203359.5872 2657.8665 0.0000 0.0000 52182.1724 -109419.6436 299.8917 -161601.8159 -109067.2159 299.3219 -18.2410 19.9021 761363.8080 22.3742 22.3052 PRESSURE: 2335000 -151.491 278.381 114.203 278.381 -488.516 51.8389 114.203 51.8391 -71.7082 GPRESSURE: 2335000 -77.9799 427.084 103.045 284.821 -349.153 -48.8382 95.295 30.2032 -183.026 PRESSAVG: 2335000 -45.4319 -0.651998 -32.929 -0.65207 37.478 -34.8051 -32.9289 -34.8051 -0.0583585 GPRESSAVG: 2335000 -45.5217 -1.51006 -33.9406 0.44889 37.9519 -35.8849 -33.2629 -35.4477 -0.830253 TIMING: 2335000 CPU: 7453.78, 0.00313793/step Wall: 7453.78, 0.00313793/step, 2.32294 hours remaining, 234.453125 MB of memory in use. ENERGY: 2335000 4010.6449 20374.5889 14415.3880 232.8695 -203507.1342 2910.5625 0.0000 0.0000 52046.9085 -109516.1719 299.1143 -161563.0804 -109155.9539 299.1489 -237.2383 -203.3864 761759.2052 -2.6707 -2.8000 PRESSURE: 2335200 -209.556 -31.9064 -122.054 -31.9067 -29.2179 9.02268 -122.054 9.02189 345.729 GPRESSURE: 2335200 -170.053 -34.2928 -235.234 -21.9885 22.6713 18.2731 -48.9016 -26.7545 351.09 PRESSAVG: 2335200 1.2305 -0.673797 21.1328 -0.673776 18.654 29.4399 21.1327 29.4399 -20.0621 GPRESSAVG: 2335200 0.936331 -0.580523 19.4759 -0.709014 18.7949 30.4677 21.6014 29.8392 -20.7725 TIMING: 2335200 CPU: 7454.41, 0.00312808/step Wall: 7454.41, 0.00312808/step, 2.31547 hours remaining, 234.453125 MB of memory in use. ENERGY: 2335200 3943.5298 20421.9872 14448.6776 254.6258 -203268.6971 2539.6064 0.0000 0.0000 51997.0680 -109663.2023 298.8279 -161660.2703 -109300.6238 299.2549 35.6519 67.9026 760525.8901 -0.0592 -0.3471 PRESSURE: 2335400 -87.4016 -46.908 -149.483 -46.9086 49.6566 -208.418 -149.483 -208.42 338.748 GPRESSURE: 2335400 -7.335 -104.981 -147.114 80.1001 83.2327 -233.142 -2.28227 -200.954 314.942 PRESSAVG: 2335400 4.93716 22.0041 -13.4283 22.0041 37.4753 23.7064 -13.4283 23.7063 -2.52701 GPRESSAVG: 2335400 5.31681 20.8237 -10.8167 22.6128 37.1445 23.9119 -13.7783 23.6902 -1.95555 TIMING: 2335400 CPU: 7455.03, 0.00312401/step Wall: 7455.03, 0.00312401/step, 2.31229 hours remaining, 234.453125 MB of memory in use. ENERGY: 2335400 3990.5253 20398.3572 14557.4738 251.3337 -203614.0174 2623.6991 0.0000 0.0000 52147.8482 -109644.7801 299.6944 -161792.6283 -109292.9211 298.8248 100.3343 130.2799 761171.6540 13.2952 13.5019 PRESSURE: 2335600 207.06 196.026 -115.838 196.026 109.712 -158.219 -115.839 -158.218 270.173 GPRESSURE: 2335600 191.236 131.795 -164.805 221.138 221.984 -158.409 -169.972 -181.026 246.095 PRESSAVG: 2335600 0.861895 -38.2788 -7.76545 -38.2787 26.1222 26.9702 -7.76544 26.9702 -7.03027 GPRESSAVG: 2335600 1.16004 -38.094 -9.53085 -38.4483 26.0847 27.3595 -5.84812 26.6901 -7.69803 TIMING: 2335600 CPU: 7455.66, 0.00314585/step Wall: 7455.66, 0.00314585/step, 2.32828 hours remaining, 234.453125 MB of memory in use. ENERGY: 2335600 4015.9101 20570.5660 14416.6239 239.0095 -203621.4132 2890.0850 0.0000 0.0000 52067.8226 -109421.3963 299.2345 -161489.2189 -109063.4743 298.7292 195.6480 219.7716 761601.7640 6.6513 6.5156 PRESSURE: 2335800 -253.631 122.834 51.7643 122.833 -155.648 33.7334 51.7636 33.7333 -268.17 GPRESSURE: 2335800 -161.035 70.8915 142.795 -50.4135 -221.406 -2.66086 74.6768 98.498 -215.308 PRESSAVG: 2335800 11.8282 -7.09247 36.3135 -7.09245 -30.1649 11.0642 36.3135 11.0641 -13.1557 GPRESSAVG: 2335800 12.3467 -7.3296 37.7958 -7.47087 -30.7977 12.1541 34.7254 11.9023 -12.4789 TIMING: 2335800 CPU: 7456.29, 0.00313248/step Wall: 7456.29, 0.00313248/step, 2.31821 hours remaining, 234.453125 MB of memory in use. ENERGY: 2335800 3985.7294 20446.9324 14440.1817 248.1927 -203283.9313 2472.5794 0.0000 0.0000 52034.1126 -109656.2032 299.0408 -161690.3157 -109294.1034 298.7524 -225.8163 -199.2499 760651.0721 -10.4974 -10.3100 PRESSURE: 2336000 101.888 -188.646 -85.4587 -188.646 -135.113 20.7006 -85.4584 20.7012 -231.557 GPRESSURE: 2336000 93.2716 -196.808 -76.8236 -120.524 -147.305 23.0628 41.8081 100.985 -145.012 PRESSAVG: 2336000 32.5991 2.15806 -10.0648 2.15806 -36.9757 -3.37648 -10.0648 -3.37647 -0.725561 GPRESSAVG: 2336000 32.0395 4.17714 -9.79258 1.33315 -35.3711 -4.28462 -9.95163 -4.1427 -1.31692 TIMING: 2336000 CPU: 7456.91, 0.00312271/step Wall: 7456.91, 0.00312271/step, 2.31081 hours remaining, 234.453125 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: 2336000 3982.0067 20592.4031 14392.4811 247.3666 -203335.0635 2392.6109 0.0000 0.0000 51970.6941 -109757.5010 298.6763 -161728.1951 -109394.2933 299.1815 -88.2605 -66.3485 759788.9045 -1.7008 -1.5495 PRESSURE: 2336200 -339.41 -239.747 -38.1391 -239.748 -363.753 33.707 -38.14 33.7069 -134.416 GPRESSURE: 2336200 -325.708 -145.649 -52.4814 -242.516 -316.006 56.5502 10.5869 -6.00328 -117.443 PRESSAVG: 2336200 -7.10979 16.3542 9.65442 16.3542 -20.0663 33.5037 9.65441 33.5038 -5.01946 GPRESSAVG: 2336200 -6.5366 15.1024 8.92032 18.0745 -19.74 33.1343 8.99967 32.8033 -5.71467 TIMING: 2336200 CPU: 7457.55, 0.00316581/step Wall: 7457.55, 0.00316581/step, 2.34253 hours remaining, 234.453125 MB of memory in use. ENERGY: 2336200 3948.5542 20435.8387 14428.6814 249.8448 -203135.3622 2087.8604 0.0000 0.0000 52180.3604 -109804.2222 299.8812 -161984.5827 -109434.9737 298.8049 -279.1928 -253.0521 761860.1069 -10.7319 -10.6638 LDB: ============= START OF LOAD BALANCING ============== 7469.97 LDB: ============== END OF LOAD BALANCING =============== 7469.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7469.97 LDB: ============= START OF LOAD BALANCING ============== 7470.29 LDB: Largest compute 7032 load 0.032538 is 16.6% of average load 0.195468 LDB: Average compute 0.004403 is 2.3% of average load 0.195468 LDB: TIME 7470.29 LOAD: AVG 0.195468 MAX 0.217274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.648 MB LDB: TIME 7470.29 LOAD: AVG 0.195468 MAX 0.217274 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.719 MB LDB: TIME 7470.29 LOAD: AVG 0.195468 MAX 0.217274 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.719 MB LDB: ============== END OF LOAD BALANCING =============== 7470.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7470.3 PRESSURE: 2336400 119.063 35.9188 -277.038 35.9195 194.113 92.9644 -277.038 92.9639 153.963 GPRESSURE: 2336400 135.06 43.1124 -160.044 128.588 207.103 168.257 -165.643 27.8048 222.352 PRESSAVG: 2336400 16.4216 23.3625 -1.91247 23.3625 5.45171 4.62831 -1.91245 4.62826 -14.3994 GPRESSAVG: 2336400 14.714 24.4944 -0.919279 20.7917 5.7502 6.09347 -0.832029 4.48795 -13.1725 TIMING: 2336400 CPU: 7458.19, 0.00321005/step Wall: 7458.19, 0.00321005/step, 2.37508 hours remaining, 233.164062 MB of memory in use. ENERGY: 2336400 4090.8373 20365.4209 14458.4620 250.5658 -203373.5398 2481.6708 0.0000 0.0000 51796.0966 -109930.4865 297.6729 -161726.5831 -109574.7981 298.7776 155.7130 188.1719 758951.9622 2.4913 2.4306 PRESSURE: 2336600 -223.922 -90.9698 -95.8411 -90.9687 -60.5279 39.3796 -95.8409 39.3804 -260.287 GPRESSURE: 2336600 -160.565 -17.0063 -209.795 -50.6751 7.27567 78.1715 -23.2132 28.8069 -288.947 PRESSAVG: 2336600 25.9217 63.5597 -23.7232 63.5597 10.8382 16.3294 -23.7232 16.3294 18.4163 GPRESSAVG: 2336600 26.572 61.7934 -24.3037 64.2604 10.2452 13.7694 -24.1857 15.3588 18.4744 TIMING: 2336600 CPU: 7458.82, 0.00315586/step Wall: 7458.82, 0.00315586/step, 2.33481 hours remaining, 233.367188 MB of memory in use. ENERGY: 2336600 3970.5633 20483.7624 14344.4159 231.4964 -203506.9411 2591.2138 0.0000 0.0000 52140.2640 -109745.2253 299.6508 -161885.4893 -109382.1650 299.1588 -181.5789 -147.4119 761021.6018 18.3921 18.4305 PRESSURE: 2336800 -210.24 -63.1793 -152.293 -63.1787 -87.4418 54.522 -152.293 54.5223 -126.93 GPRESSURE: 2336800 -77.0306 10.6437 -158.382 -142.4 -113.964 -1.27681 -185.428 62.4343 -154.251 PRESSAVG: 2336800 -8.52145 0.492877 12.0106 0.492872 2.86021 -16.2522 12.0106 -16.2522 9.46389 GPRESSAVG: 2336800 -7.66112 2.40588 13.174 0.168611 1.95718 -13.0286 12.0818 -15.7541 9.28063 TIMING: 2336800 CPU: 7459.45, 0.0031611/step Wall: 7459.45, 0.0031611/step, 2.33851 hours remaining, 233.421875 MB of memory in use. ENERGY: 2336800 4026.6969 20526.1987 14484.9958 246.1455 -203258.9556 2502.9989 0.0000 0.0000 51757.8564 -109714.0634 297.4531 -161471.9198 -109355.1560 299.2059 -141.5370 -115.0821 762150.3465 1.2676 1.1922 PRESSURE: 2337000 254.768 28.9675 63.2031 28.9674 -45.6526 -227.22 63.2036 -227.22 482.983 GPRESSURE: 2337000 349.818 -1.81237 113.565 58.3068 25.514 -302.506 52.8477 -264.486 385.296 PRESSAVG: 2337000 11.9665 65.4472 29.0461 65.4472 -6.45336 -9.85769 29.046 -9.85771 -19.3968 GPRESSAVG: 2337000 12.2423 66.0889 27.4205 64.1949 -6.08094 -12.7753 28.2072 -6.98338 -19.9745 TIMING: 2337000 CPU: 7460.08, 0.00315741/step Wall: 7460.08, 0.00315741/step, 2.33561 hours remaining, 233.492188 MB of memory in use. ENERGY: 2337000 4010.6603 20644.7886 14463.3641 257.6929 -203615.8070 2759.7238 0.0000 0.0000 51876.2888 -109603.2884 298.1337 -161479.5772 -109246.5572 298.8217 230.6996 253.5427 761250.3692 -4.6279 -4.6044 PRESSURE: 2337200 -246.816 -230.125 73.1017 -230.125 303.501 60.8344 73.1012 60.8341 -98.3033 GPRESSURE: 2337200 -180.657 -118.383 73.2463 -222.896 280.026 172.757 24.84 112.774 -47.7539 PRESSAVG: 2337200 25.4322 45.5727 -22.1164 45.5728 -57.2212 81.3311 -22.1164 81.3311 12.6925 GPRESSAVG: 2337200 24.3198 43.695 -22.1813 48.5311 -56.4592 82.5557 -20.4932 77.6331 13.0695 TIMING: 2337200 CPU: 7460.71, 0.00314919/step Wall: 7460.71, 0.00314919/step, 2.32935 hours remaining, 233.492188 MB of memory in use. ENERGY: 2337200 3875.4645 20582.8813 14491.6894 258.0016 -203357.5267 2590.8485 0.0000 0.0000 51910.3683 -109648.2730 298.3296 -161558.6413 -109295.6248 298.7921 -13.8726 17.2053 760218.2074 -6.3655 -6.3566 PRESSURE: 2337400 -153.563 -19.2449 -112.419 -19.2443 -206.711 223.073 -112.42 223.072 -199.485 GPRESSURE: 2337400 -45.9079 -132.258 -35.5112 -32.037 -193.976 201.246 -138.5 244.782 -230.726 PRESSAVG: 2337400 -18.236 -48.7548 -37.5159 -48.7547 -19.3199 19.2223 -37.5159 19.2223 -21.7039 GPRESSAVG: 2337400 -18.8461 -48.3904 -38.5252 -48.8676 -18.9181 19.5533 -38.1411 20.0132 -21.2468 TIMING: 2337400 CPU: 7461.34, 0.00312785/step Wall: 7461.34, 0.00312785/step, 2.31339 hours remaining, 233.492188 MB of memory in use. ENERGY: 2337400 3984.4175 20449.0152 14506.9591 254.2819 -203451.9371 2442.6290 0.0000 0.0000 52129.4161 -109685.2182 299.5885 -161814.6344 -109329.9635 298.9515 -186.5861 -156.8698 758514.0310 -19.7533 -19.6703 PRESSURE: 2337600 97.3658 -130.64 132.876 -130.641 274.139 270.158 132.876 270.158 215.043 GPRESSURE: 2337600 152.409 -296.859 111.037 -85.9985 280.981 139.511 163.949 248.957 259.22 PRESSAVG: 2337600 9.82127 29.6878 -10.2237 29.6878 2.62708 84.4372 -10.2237 84.4373 -13.6318 GPRESSAVG: 2337600 11.1932 28.6612 -10.2923 28.1911 1.22399 83.4925 -9.55977 84.704 -13.1008 TIMING: 2337600 CPU: 7461.97, 0.00314866/step Wall: 7461.97, 0.00314866/step, 2.32861 hours remaining, 233.492188 MB of memory in use. ENERGY: 2337600 3916.0623 20372.2918 14432.0860 254.3149 -203568.2438 2691.3073 0.0000 0.0000 52200.7840 -109701.3974 299.9986 -161902.1815 -109333.3947 298.8955 195.5159 230.8699 758283.2515 -0.3945 -0.2279 PRESSURE: 2337800 -210.538 123.66 -364.538 123.659 -123.396 -3.00127 -364.538 -3.00057 -204.311 GPRESSURE: 2337800 -215.594 6.57187 -356.086 173.311 -19.1572 -24.1619 -282.561 7.91579 -219.269 PRESSAVG: 2337800 34.1568 -12.7455 -38.2568 -12.7455 -20.1509 84.6231 -38.2568 84.6231 17.5796 GPRESSAVG: 2337800 32.624 -12.9813 -37.9606 -12.7573 -18.4677 85.4238 -37.9365 84.7998 17.2683 TIMING: 2337800 CPU: 7462.6, 0.00316763/step Wall: 7462.6, 0.00316763/step, 2.34246 hours remaining, 233.492188 MB of memory in use. ENERGY: 2337800 3988.5487 20577.3844 14475.5888 246.4001 -203394.8962 2445.6521 0.0000 0.0000 51878.2808 -109783.0413 298.1452 -161661.3221 -109421.3329 298.9019 -179.4151 -151.3399 759426.4386 10.5285 10.4749 PRESSURE: 2338000 -327.836 158.642 39.2275 158.641 -368.252 -226.142 39.2278 -226.142 -11.7776 GPRESSURE: 2338000 -238.232 103.041 102.057 195.345 -390.978 -138.598 -20.3461 -197.919 16.5613 PRESSAVG: 2338000 18.9122 -6.83528 -30.3228 -6.83529 14.8114 28.1751 -30.3228 28.1751 -22.5317 GPRESSAVG: 2338000 20.6625 -5.22223 -28.4206 -6.87957 14.5314 28.1119 -32.0625 28.3083 -23.5936 TIMING: 2338000 CPU: 7463.23, 0.00315152/step Wall: 7463.23, 0.00315152/step, 2.33038 hours remaining, 233.492188 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: 2338000 4001.1926 20473.9687 14505.2470 270.1539 -203393.6845 2539.9619 0.0000 0.0000 51892.0346 -109711.1258 298.2242 -161603.1604 -109346.9845 298.2002 -235.9550 -204.2160 762533.3353 3.7306 3.8668 PRESSURE: 2338200 189.377 -281.795 147.02 -281.795 137.265 105.778 147.019 105.777 153.203 GPRESSURE: 2338200 231.188 -328.838 147.061 -310.786 80.433 84.614 160.637 5.96045 234.68 PRESSAVG: 2338200 -11.5539 -22.5296 20.5393 -22.5296 37.1465 81.2616 20.5393 81.2616 10.5325 GPRESSAVG: 2338200 -12.305 -20.9909 19.5893 -21.343 36.5245 80.8904 20.102 81.1555 11.9872 TIMING: 2338200 CPU: 7463.86, 0.00314891/step Wall: 7463.86, 0.00314891/step, 2.32827 hours remaining, 233.492188 MB of memory in use. ENERGY: 2338200 3926.8208 20642.7998 14443.6405 244.4600 -203468.0706 2775.1218 0.0000 0.0000 51964.6457 -109470.5821 298.6415 -161435.2277 -109110.9580 299.3865 159.9482 182.1002 760063.0193 12.0417 12.0689 PRESSURE: 2338400 13.339 -24.2188 -33.9505 -24.2186 208.771 310.696 -33.9494 310.696 -393.978 GPRESSURE: 2338400 142.023 -126.516 -1.40122 -7.08097 189.027 319.641 -64.4825 315.175 -437.999 PRESSAVG: 2338400 -27.553 -53.3542 -3.45927 -53.3542 30.17 62.1772 -3.45928 62.1772 11.2277 GPRESSAVG: 2338400 -25.6984 -57.6667 -3.48575 -52.1207 29.5647 61.8412 -1.36794 63.0584 9.80038 TIMING: 2338400 CPU: 7464.5, 0.00316999/step Wall: 7464.5, 0.00316999/step, 2.34368 hours remaining, 233.492188 MB of memory in use. ENERGY: 2338400 4007.6753 20669.8696 14458.0464 238.5828 -203256.2408 2370.8937 0.0000 0.0000 51941.8118 -109569.3611 298.5103 -161511.1729 -109199.9624 299.4434 -57.2892 -35.6496 759977.1899 4.6149 4.5556 PRESSURE: 2338600 -274.905 -102.732 203.21 -102.732 -193.3 -148.813 203.209 -148.813 -33.0535 GPRESSURE: 2338600 -204.014 -69.3812 226.898 -160.48 -89.7354 -113.253 121.809 -102.854 -132.446 PRESSAVG: 2338600 1.73512 -47.6819 40.705 -47.6819 20.5914 46.4648 40.705 46.4648 -12.4139 GPRESSAVG: 2338600 -0.697933 -45.2187 39.6875 -50.5183 22.3242 48.4886 38.9475 44.5229 -11.9904 TIMING: 2338600 CPU: 7465.13, 0.00314051/step Wall: 7465.13, 0.00314051/step, 2.32171 hours remaining, 233.492188 MB of memory in use. ENERGY: 2338600 3995.6854 20407.9164 14448.2111 254.6046 -203061.2741 2424.6509 0.0000 0.0000 51980.9519 -109549.2538 298.7352 -161530.2058 -109187.6675 299.1999 -167.0865 -142.0649 760473.3773 3.3042 3.2120 PRESSURE: 2338800 264.657 165.051 110.266 165.051 46.5313 -185.23 110.266 -185.23 -78.7871 GPRESSURE: 2338800 203.562 17.6652 81.8618 48.4728 101.328 -190.065 158.073 -93.8066 14.0055 PRESSAVG: 2338800 31.5202 -49.9592 64.8529 -49.9592 18.5543 -13.9712 64.8529 -13.9712 -14.4135 GPRESSAVG: 2338800 32.9247 -49.8152 65.0728 -50.1574 16.098 -15.4669 65.3823 -12.6412 -13.2598 TIMING: 2338800 CPU: 7465.76, 0.0031474/step Wall: 7465.76, 0.0031474/step, 2.32663 hours remaining, 233.492188 MB of memory in use. ENERGY: 2338800 4008.8901 20581.0251 14469.4745 240.7788 -203291.0711 2536.2311 0.0000 0.0000 52161.1659 -109293.5057 299.7709 -161454.6716 -108934.4148 299.6020 77.4671 106.2987 761339.6386 11.8870 11.9210 PRESSURE: 2339000 54.6233 -127.083 -209.934 -127.083 203.266 3.72471 -209.935 3.72499 603.619 GPRESSURE: 2339000 79.1755 -155.327 -146.258 -141.556 280.312 -26.8409 -135.117 8.23342 575.366 PRESSAVG: 2339000 -29.5012 -53.9786 42.7176 -53.9787 8.852 42.1999 42.7176 42.1999 -4.53798 GPRESSAVG: 2339000 -30.031 -54.2492 43.7692 -52.536 8.71515 43.3153 42.8331 42.069 -3.73588 TIMING: 2339000 CPU: 7466.39, 0.00315116/step Wall: 7466.39, 0.00315116/step, 2.32923 hours remaining, 233.492188 MB of memory in use. ENERGY: 2339000 4040.2042 20449.4965 14415.4151 257.3722 -203101.4277 2574.1203 0.0000 0.0000 52172.2023 -109192.6170 299.8344 -161364.8193 -108825.1217 299.8502 287.1692 311.6179 759689.1813 -8.3957 -8.3506 PRESSURE: 2339200 -18.6644 108.725 73.0957 108.726 -51.5178 -26.6166 73.0962 -26.6172 -113.741 GPRESSURE: 2339200 -34.4702 9.57299 136.306 -62.1085 25.2746 -49.0792 87.9802 -54.539 -100.198 PRESSAVG: 2339200 -31.0471 -19.1295 50.417 -19.1295 42.6707 -22.7335 50.417 -22.7336 -4.67489 GPRESSAVG: 2339200 -30.9386 -19.9846 50.1807 -18.2048 44.5144 -22.658 49.9632 -21.329 -6.62618 TIMING: 2339200 CPU: 7467.02, 0.00315089/step Wall: 7467.02, 0.00315089/step, 2.32886 hours remaining, 233.492188 MB of memory in use. ENERGY: 2339200 4053.7950 20471.7560 14495.2279 240.4559 -203119.4683 2559.9166 0.0000 0.0000 52129.8266 -109168.4905 299.5908 -161298.3170 -108795.0796 299.3253 -61.3076 -36.4646 760741.3370 2.3162 2.3165 PRESSURE: 2339400 107.006 18.6536 167.554 18.6533 125.28 168.197 167.553 168.197 143.535 GPRESSURE: 2339400 141.464 54.4345 85.9293 71.4068 138.009 186.64 181.535 182.718 186.121 PRESSAVG: 2339400 11.8798 -23.5981 17.2572 -23.5981 21.5545 31.2618 17.2572 31.2618 -3.20519 GPRESSAVG: 2339400 10.6682 -22.4412 16.323 -25.7455 22.5867 31.6344 17.6515 30.691 -3.12007 TIMING: 2339400 CPU: 7467.64, 0.00314095/step Wall: 7467.64, 0.00314095/step, 2.32133 hours remaining, 233.492188 MB of memory in use. ENERGY: 2339400 3941.3803 20372.0471 14578.8555 241.8664 -202549.2048 2214.4123 0.0000 0.0000 51830.3059 -109370.3374 297.8695 -161200.6433 -109004.0231 299.1454 125.2734 155.1980 762077.9056 10.0764 10.0449 PRESSURE: 2339600 104.583 -79.2121 -31.6406 -79.2119 20.4325 194.394 -31.6405 194.394 224.634 GPRESSURE: 2339600 60.4256 11.8352 9.78006 -106.037 114.599 192.267 -80.3255 127.521 274.938 PRESSAVG: 2339600 -2.05261 7.20883 49.4317 7.2089 79.473 3.7663 49.4317 3.76617 17.1139 GPRESSAVG: 2339600 -1.66526 9.68913 48.9925 7.49886 78.2764 5.29866 48.753 2.91261 18.115 TIMING: 2339600 CPU: 7468.27, 0.00315173/step Wall: 7468.27, 0.00315173/step, 2.32913 hours remaining, 233.492188 MB of memory in use. ENERGY: 2339600 4014.6780 20444.7742 14552.6928 249.9783 -203290.9092 2737.0679 0.0000 0.0000 51890.2281 -109401.4899 298.2139 -161291.7180 -109035.4378 298.7904 116.5499 149.9876 762184.5770 31.5114 31.5754 PRESSURE: 2339800 -252.256 -244.426 -3.0765 -244.426 -24.5044 150.85 -3.07723 150.851 -139.78 GPRESSURE: 2339800 -199.78 -312.311 114.431 -195.516 -17.8579 44.2587 -9.97128 140.73 -105.46 PRESSAVG: 2339800 -44.3255 -60.7286 1.9326 -60.7286 50.0126 49.984 1.93254 49.9839 21.7548 GPRESSAVG: 2339800 -43.926 -63.7219 3.14962 -59.6164 50.0638 47.6392 2.05955 51.248 21.2201 TIMING: 2339800 CPU: 7468.9, 0.00315273/step Wall: 7468.9, 0.00315273/step, 2.32969 hours remaining, 233.492188 MB of memory in use. ENERGY: 2339800 4001.3102 20490.2069 14539.7093 263.8568 -202865.1832 2109.1801 0.0000 0.0000 51981.8267 -109479.0931 298.7403 -161460.9198 -109122.1551 298.8572 -138.8468 -107.6991 760486.2868 9.1473 9.1193 PRESSURE: 2340000 -333.732 -417.984 102.901 -417.985 -98.0718 52.2099 102.901 52.2102 -26.0862 GPRESSURE: 2340000 -262.179 -305.202 142.546 -353.853 -61.4509 -30.7194 158.829 -48.7271 -60.4073 PRESSAVG: 2340000 -54.3945 -28.7954 0.627394 -28.7954 38.5975 35.8717 0.627335 35.8717 -13.3016 GPRESSAVG: 2340000 -52.6851 -28.6119 -0.683354 -28.1562 37.4481 35.617 0.907078 34.5803 -13.2597 TIMING: 2340000 CPU: 7469.53, 0.00314323/step Wall: 7469.53, 0.00314323/step, 2.3225 hours remaining, 233.492188 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: 2340000 4107.6208 20394.1295 14506.1085 260.8554 -203173.6157 2344.9591 0.0000 0.0000 52250.4943 -109309.4480 300.2843 -161559.9423 -108950.3009 299.5172 -152.6299 -128.0123 763213.9617 -9.6995 -9.4989 PRESSURE: 2340200 -297.615 122.797 -69.2507 122.797 -32.1938 -203.58 -69.2515 -203.58 -180.273 GPRESSURE: 2340200 -304.001 188.692 -38.7241 41.1717 10.6094 -287.296 28.4014 -131.053 -154.494 PRESSAVG: 2340200 -34.3465 19.9967 13.3253 19.9967 64.596 54.138 13.3253 54.138 5.29463 GPRESSAVG: 2340200 -35.8911 22.5204 13.7786 19.336 65.0479 53.4876 13.1478 54.1516 5.87976 TIMING: 2340200 CPU: 7470.16, 0.00313649/step Wall: 7470.16, 0.00313649/step, 2.31734 hours remaining, 233.492188 MB of memory in use. ENERGY: 2340200 4026.1587 20437.3766 14547.6313 246.3837 -203328.8481 2730.7934 0.0000 0.0000 51982.9615 -109357.5429 298.7468 -161340.5044 -108990.2124 300.0245 -170.0273 -149.2950 763125.3221 11.8480 11.6789 LDB: ============= START OF LOAD BALANCING ============== 7482.58 LDB: ============== END OF LOAD BALANCING =============== 7482.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.58 LDB: ============= START OF LOAD BALANCING ============== 7482.9 LDB: Largest compute 7033 load 0.035763 is 18.3% of average load 0.195373 LDB: Average compute 0.004410 is 2.3% of average load 0.195373 LDB: TIME 7482.9 LOAD: AVG 0.195373 MAX 0.213645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 7482.9 LOAD: AVG 0.195373 MAX 0.213645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: TIME 7482.9 LOAD: AVG 0.195373 MAX 0.213645 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: ============== END OF LOAD BALANCING =============== 7482.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.91 PRESSURE: 2340400 174.134 24.8532 42.9946 24.8537 -273.458 48.6569 42.9954 48.6571 188.831 GPRESSURE: 2340400 177.256 -54.6038 38.4874 3.15873 -214.06 -1.68736 1.75583 77.1367 224.652 PRESSAVG: 2340400 9.36511 -17.5641 26.0631 -17.5641 -21.5844 -24.4752 26.0631 -24.4753 24.5463 GPRESSAVG: 2340400 9.25742 -19.5701 25.8949 -18.2773 -21.4013 -24.298 25.1585 -23.2184 24.5798 TIMING: 2340400 CPU: 7470.81, 0.00322217/step Wall: 7470.81, 0.00322217/step, 2.38046 hours remaining, 233.539062 MB of memory in use. ENERGY: 2340400 3986.8686 20410.0313 14491.1418 263.3862 -203022.6396 2575.3793 0.0000 0.0000 51898.2442 -109397.5883 298.2599 -161295.8325 -109035.8319 299.1029 29.8359 62.6159 762075.3472 4.1090 4.1453 PRESSURE: 2340600 -330.172 21.9499 -438.569 21.9498 -150.489 -240.28 -438.57 -240.279 152.666 GPRESSURE: 2340600 -249.611 12.3575 -395.881 36.2515 -142.879 -335.621 -326.319 -125.182 132.33 PRESSAVG: 2340600 29.5287 -28.6096 -4.58652 -28.6096 -17.2223 9.4702 -4.58645 9.47017 -7.93438 GPRESSAVG: 2340600 30.1018 -29.6172 -3.64348 -29.2943 -16.6134 9.69755 -5.4094 9.2891 -9.3315 TIMING: 2340600 CPU: 7471.44, 0.00316485/step Wall: 7471.44, 0.00316485/step, 2.33794 hours remaining, 233.609375 MB of memory in use. ENERGY: 2340600 3958.1651 20509.2319 14518.2655 235.8227 -203221.3380 2426.1823 0.0000 0.0000 52298.4612 -109275.2094 300.5600 -161573.6706 -108924.2248 299.3710 -109.3314 -86.7199 760979.6742 1.4574 1.3856 PRESSURE: 2340800 -32.9528 -143.634 28.7971 -143.633 -316.958 33.8654 28.7964 33.8641 263.354 GPRESSURE: 2340800 -13.7785 51.3212 51.9923 -93.6181 -220.199 97.4139 125.231 111.824 261.977 PRESSAVG: 2340800 27.8012 -38.5641 -32.0926 -38.564 -50.8996 30.2341 -32.0927 30.2342 -11.077 GPRESSAVG: 2340800 27.5044 -36.7476 -31.6976 -35.9565 -52.4997 30.4109 -31.659 29.1735 -9.30948 TIMING: 2340800 CPU: 7472.07, 0.00315532/step Wall: 7472.07, 0.00315532/step, 2.33073 hours remaining, 233.734375 MB of memory in use. ENERGY: 2340800 3936.3371 20406.3616 14499.7476 256.3615 -203153.6933 2464.8802 0.0000 0.0000 52128.7897 -109461.2156 299.5849 -161590.0053 -109081.4283 299.1334 -28.8525 9.3332 761601.9064 -11.3918 -11.4349 PRESSURE: 2341000 -274.692 -200.558 -102.376 -200.558 -113.483 -8.32543 -102.376 -8.32507 -385.108 GPRESSURE: 2341000 -294.295 -76.6376 -108.914 -216.448 -17.3597 -24.5951 -143.81 86.131 -368.54 PRESSAVG: 2341000 16.8095 -2.22599 -22.7614 -2.22602 -33.6863 6.27807 -22.7614 6.27809 16.2543 GPRESSAVG: 2341000 17.5324 -0.309597 -23.9896 -3.79714 -32.5276 6.11857 -19.4953 5.68757 14.6519 TIMING: 2341000 CPU: 7472.7, 0.0031369/step Wall: 7472.7, 0.0031369/step, 2.31695 hours remaining, 233.734375 MB of memory in use. ENERGY: 2341000 4039.2426 20493.8834 14583.5713 248.7046 -203207.6671 2280.4510 0.0000 0.0000 52102.6698 -109459.1445 299.4348 -161561.8143 -109094.9998 299.6664 -257.7608 -226.7318 760604.8705 -0.2075 -0.1144 PRESSURE: 2341200 196.583 -290.518 -11.163 -290.519 -15.2779 -107.991 -11.1631 -107.992 -126.882 GPRESSURE: 2341200 246.539 -323.34 56.7228 -258.849 -29.6086 -63.0234 47.1935 -105.845 -83.2935 PRESSAVG: 2341200 18.8086 -15.1566 -30.7539 -15.1566 -41.6907 -18.4023 -30.7539 -18.4023 -5.34401 GPRESSAVG: 2341200 18.6821 -18.404 -30.0199 -13.4863 -41.5587 -17.6647 -33.1219 -17.1887 -5.10463 TIMING: 2341200 CPU: 7473.33, 0.00314993/step Wall: 7473.33, 0.00314993/step, 2.3264 hours remaining, 233.937500 MB of memory in use. ENERGY: 2341200 4062.8197 20453.7991 14488.4241 253.0104 -203380.1938 2609.4230 0.0000 0.0000 52072.7814 -109439.9361 299.2630 -161512.7175 -109080.5692 299.8822 18.1409 44.5457 762080.8840 -9.4087 -9.3271 PRESSURE: 2341400 93.9524 -124.307 -184.392 -124.307 -351.4 -37.5527 -184.391 -37.5533 -307.986 GPRESSURE: 2341400 182.338 -21.8612 -81.7353 -108.027 -278.308 -56.8256 -203.372 10.8466 -396.13 PRESSAVG: 2341400 11.5031 -49.6061 -24.1006 -49.6061 12.0429 43.7682 -24.1007 43.7681 3.55542 GPRESSAVG: 2341400 10.5792 -48.7667 -23.0033 -51.0951 12.8166 43.3843 -23.1976 43.026 3.63124 TIMING: 2341400 CPU: 7473.96, 0.00314877/step Wall: 7473.96, 0.00314877/step, 2.32536 hours remaining, 233.937500 MB of memory in use. ENERGY: 2341400 4008.6878 20436.2317 14453.6954 233.3593 -203058.9795 2538.4897 0.0000 0.0000 52079.6311 -109308.8846 299.3024 -161388.5156 -108939.6383 299.5913 -188.4782 -164.0332 762594.1711 9.0338 9.0090 PRESSURE: 2341600 -277.053 363.822 -41.5501 363.822 44.8583 -4.38987 -41.5505 -4.39091 -164.653 GPRESSURE: 2341600 -274.831 150.963 -45.4684 324.669 238.04 -100.764 86.7931 -12.9272 -246.159 PRESSAVG: 2341600 -9.06326 -4.27925 -31.7942 -4.27932 -1.88318 6.13335 -31.7942 6.13327 -2.23043 GPRESSAVG: 2341600 -7.58783 -4.82401 -32.9227 -4.13986 -2.69372 4.95725 -32.7877 8.93774 -2.50745 TIMING: 2341600 CPU: 7474.59, 0.00315699/step Wall: 7474.59, 0.00315699/step, 2.33126 hours remaining, 233.937500 MB of memory in use. ENERGY: 2341600 4022.5809 20537.4449 14508.6910 263.8361 -203021.5136 2244.2027 0.0000 0.0000 52021.5465 -109423.2114 298.9685 -161444.7579 -109073.1056 299.6832 -132.2824 -94.3165 762553.3084 -4.3923 -4.2630 PRESSURE: 2341800 139.642 29.835 148.406 29.8351 181.94 193.147 148.405 193.147 10.7168 GPRESSURE: 2341800 227.177 -2.67063 38.0041 56.8851 263.571 116.788 311.353 133.807 -75.942 PRESSAVG: 2341800 12.5438 -49.9464 -3.60479 -49.9463 19.9312 8.18071 -3.60479 8.18066 1.68229 GPRESSAVG: 2341800 10.861 -50.7403 -5.30915 -47.0604 20.2245 9.96778 -3.0771 4.58417 2.65223 TIMING: 2341800 CPU: 7475.22, 0.0031723/step Wall: 7475.22, 0.0031723/step, 2.34239 hours remaining, 233.937500 MB of memory in use. ENERGY: 2341800 3921.6816 20749.9573 14522.2584 242.9302 -203512.6916 2711.2126 0.0000 0.0000 51902.3203 -109462.3312 298.2833 -161364.6515 -109097.1716 298.5105 110.7664 138.2686 761198.5075 11.3858 11.2459 PRESSURE: 2342000 41.5607 -25.2475 -113.683 -25.2468 386.239 158.57 -113.682 158.571 51.0045 GPRESSURE: 2342000 56.8243 -28.2615 -119.059 -163.837 408.677 175.34 -147.515 160.586 106.684 PRESSAVG: 2342000 -47.1427 -26.7724 4.94217 -26.7724 57.735 23.5229 4.94216 23.523 -17.8947 GPRESSAVG: 2342000 -47.1301 -23.7005 5.87473 -30.7663 57.6513 24.3546 6.00449 23.4722 -18.4437 TIMING: 2342000 CPU: 7475.86, 0.00316685/step Wall: 7475.86, 0.00316685/step, 2.33819 hours remaining, 233.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2342000 3946.8461 20619.9446 14547.9503 241.8340 -203588.2760 2815.6015 0.0000 0.0000 51846.9588 -109569.1408 297.9652 -161416.0995 -109210.5698 298.8255 159.6015 190.7287 760879.3580 -2.4341 -2.6409 PRESSURE: 2342200 136.381 -107.602 163.66 -107.602 -59.6272 -81.5637 163.661 -81.564 593.222 GPRESSURE: 2342200 226.742 -125.051 228.153 -45.7153 -20.1931 -121.964 53.4856 -13.2064 564.776 PRESSAVG: 2342200 0.872723 -4.67196 34.2973 -4.67196 -5.40375 51.614 34.2973 51.614 22.5085 GPRESSAVG: 2342200 0.938429 -6.92782 33.3332 -3.49677 -4.99331 49.458 31.355 53.6496 21.798 TIMING: 2342200 CPU: 7476.49, 0.00315725/step Wall: 7476.49, 0.00315725/step, 2.33092 hours remaining, 233.937500 MB of memory in use. ENERGY: 2342200 3981.7662 20439.2555 14497.3474 242.3299 -203206.9903 2581.3164 0.0000 0.0000 52104.9641 -109360.0108 299.4479 -161464.9749 -109001.8909 299.5651 223.3253 257.1082 760428.0805 5.9925 5.9144 PRESSURE: 2342400 67.4581 -115.639 64.9117 -115.639 -72.879 -246.547 64.9117 -246.547 136.701 GPRESSURE: 2342400 104.955 -39.7901 25.1259 17.8817 -53.268 -223.461 11.3097 -185.976 160.6 PRESSAVG: 2342400 37.0036 -3.79087 -2.29717 -3.79089 5.17826 27.4862 -2.29717 27.4862 -0.365776 GPRESSAVG: 2342400 38.1988 -0.139115 -1.91747 -5.97962 4.55691 29.141 -0.00636337 27.3238 -0.656338 TIMING: 2342400 CPU: 7477.12, 0.00316798/step Wall: 7477.12, 0.00316798/step, 2.33867 hours remaining, 233.937500 MB of memory in use. ENERGY: 2342400 4037.3208 20484.6347 14515.4151 247.8829 -203233.2317 2543.7261 0.0000 0.0000 51965.6737 -109438.5784 298.6474 -161404.2521 -109087.7227 299.3312 43.7599 70.7622 762283.8248 13.9387 14.0331 PRESSURE: 2342600 9.2547 59.8868 -147.35 59.8875 30.4938 22.4224 -147.35 22.4226 75.0599 GPRESSURE: 2342600 -23.6137 25.5312 -85.2963 52.3971 123.628 102.674 -68.1501 -118.668 117.405 PRESSAVG: 2342600 19.4654 -28.6851 19.6366 -28.6851 -25.5472 -11.5464 19.6366 -11.5464 -14.0092 GPRESSAVG: 2342600 18.9095 -32.535 20.5276 -26.2439 -25.4467 -13.3385 20.3085 -14.2026 -13.5438 TIMING: 2342600 CPU: 7477.75, 0.00316266/step Wall: 7477.75, 0.00316266/step, 2.33457 hours remaining, 233.937500 MB of memory in use. ENERGY: 2342600 4034.4069 20552.8621 14471.5696 246.1097 -203157.7967 2356.5320 0.0000 0.0000 52090.1495 -109406.1669 299.3628 -161496.3164 -109048.4947 299.4687 38.2695 72.4730 762023.3844 -6.6970 -6.6937 PRESSURE: 2342800 -27.3723 16.3161 -425.822 16.3159 62.9095 9.76069 -425.822 9.76232 402.866 GPRESSURE: 2342800 118.625 -26.6947 -408.623 9.06299 111.085 49.1784 -430.747 86.3972 301.221 PRESSAVG: 2342800 -15.7994 5.24728 -49.1101 5.24732 35.3691 41.8539 -49.1101 41.8539 -12.8486 GPRESSAVG: 2342800 -17.1447 7.39375 -50.457 3.03499 35.541 41.7053 -50.1391 43.5393 -11.7767 TIMING: 2342800 CPU: 7478.39, 0.00319387/step Wall: 7478.39, 0.00319387/step, 2.35743 hours remaining, 233.937500 MB of memory in use. ENERGY: 2342800 3972.7517 20588.8839 14557.6609 235.4781 -203244.0641 2373.6209 0.0000 0.0000 51973.7670 -109541.9016 298.6940 -161515.6686 -109175.4575 299.3189 146.1343 176.9771 759344.3426 2.2403 2.2066 PRESSURE: 2343000 222.75 -114.135 -310.469 -114.135 109.202 -46.7246 -310.469 -46.7254 110.757 GPRESSURE: 2343000 256.018 -30.7286 -337.943 -76.7914 152.302 -2.83086 -157.426 -41.3251 133.058 PRESSAVG: 2343000 39.5789 -18.6696 -19.1369 -18.6696 -45.8364 46.719 -19.137 46.7189 -1.97958 GPRESSAVG: 2343000 40.2537 -19.69 -19.191 -16.0968 -46.0085 49.2215 -19.7112 47.6465 -2.00666 TIMING: 2343000 CPU: 7479.03, 0.0031796/step Wall: 7479.03, 0.0031796/step, 2.34672 hours remaining, 233.937500 MB of memory in use. ENERGY: 2343000 4084.0260 20486.8486 14497.4528 241.6830 -203652.3101 3044.3727 0.0000 0.0000 51884.9864 -109412.9406 298.1837 -161297.9270 -109048.7561 299.4240 147.5695 180.4594 760656.9423 -2.7457 -2.5872 PRESSURE: 2343200 -130.496 35.1623 249.67 35.1623 7.30389 -85.2358 249.671 -85.2359 86.2492 GPRESSURE: 2343200 -28.7314 -29.2177 266.095 102.347 -9.15614 -96.966 159.787 -75.2157 69.1929 PRESSAVG: 2343200 10.5693 2.66883 0.140476 2.66885 -41.527 30.6182 0.140469 30.6183 -30.0213 GPRESSAVG: 2343200 10.7621 3.78948 0.491808 0.985888 -41.9877 28.4118 0.642241 29.9465 -30.14 TIMING: 2343200 CPU: 7479.66, 0.00317271/step Wall: 7479.66, 0.00317271/step, 2.34146 hours remaining, 233.937500 MB of memory in use. ENERGY: 2343200 3933.3689 20639.9105 14557.1076 237.9986 -203688.2992 2587.3084 0.0000 0.0000 52174.2477 -109558.3574 299.8461 -161732.6051 -109184.7485 299.1865 -12.3142 10.4351 760201.9807 -20.3263 -20.4552 PRESSURE: 2343400 -45.9328 225.476 104.602 225.476 -25.1009 179.793 104.602 179.793 -70.0162 GPRESSURE: 2343400 -38.4042 249.629 -5.21304 237.14 112.274 247.335 94.5516 88.6059 -138.719 PRESSAVG: 2343400 38.6465 1.06635 -6.28998 1.06631 -13.9843 26.8712 -6.28998 26.8712 -7.5198 GPRESSAVG: 2343400 37.465 0.215604 -6.63219 1.19586 -13.3091 26.0363 -6.83634 27.8081 -7.46728 TIMING: 2343400 CPU: 7480.3, 0.00317206/step Wall: 7480.3, 0.00317206/step, 2.34081 hours remaining, 233.937500 MB of memory in use. ENERGY: 2343400 4042.6936 20581.5926 14548.8838 248.9404 -203553.4397 2548.2854 0.0000 0.0000 51994.2427 -109588.8013 298.8116 -161583.0440 -109234.8733 299.0816 -47.0166 -21.6166 760086.8291 5.7141 5.5629 PRESSURE: 2343600 -299.395 -40.8913 -41.4693 -40.8914 -204.773 -63.6276 -41.4696 -63.6267 -449.645 GPRESSURE: 2343600 -248.532 65.1376 -8.8467 25.2821 -124.564 -149.396 -33.2858 -22.8171 -484.581 PRESSAVG: 2343600 -3.18716 -14.5851 14.8467 -14.5852 41.8472 0.516305 14.8466 0.516385 3.65147 GPRESSAVG: 2343600 -1.9227 -14.7307 17.1588 -13.3343 40.7834 1.73327 14.232 -1.48652 3.72618 TIMING: 2343600 CPU: 7480.93, 0.00315711/step Wall: 7480.93, 0.00315711/step, 2.3296 hours remaining, 233.937500 MB of memory in use. ENERGY: 2343600 4060.0838 20513.1249 14385.0578 244.0506 -203009.5894 2337.2801 0.0000 0.0000 51940.2485 -109529.7437 298.5013 -161469.9922 -109167.3414 298.8932 -317.9379 -285.8919 761993.5802 14.1038 14.1956 PRESSURE: 2343800 -463.51 -27.9914 -29.5204 -27.9918 -226.313 129.723 -29.5201 129.723 -218.09 GPRESSURE: 2343800 -410.585 -52.2759 40.0863 -50.3702 -164.121 147.66 -87.5441 119.266 -253.366 PRESSAVG: 2343800 -6.68323 -84.4223 20.371 -84.4223 27.4375 -27.4752 20.371 -27.4752 -16.1907 GPRESSAVG: 2343800 -7.67506 -83.465 18.2968 -83.3616 27.6708 -27.1592 21.3531 -28.1062 -15.611 TIMING: 2343800 CPU: 7481.56, 0.00314892/step Wall: 7481.56, 0.00314892/step, 2.32338 hours remaining, 233.937500 MB of memory in use. ENERGY: 2343800 3976.0728 20696.1917 14562.9333 237.6329 -203482.4595 2406.8616 0.0000 0.0000 52057.9411 -109544.8261 299.1777 -161602.7673 -109182.3730 299.3546 -302.6375 -276.0241 760795.6301 1.5212 1.4616 PRESSURE: 2344000 -33.6859 138.662 -136.683 138.661 -109.245 120.311 -136.683 120.311 -246.934 GPRESSURE: 2344000 33.0666 149.138 -174.288 171.37 -45.6038 103.586 -87.9624 147.44 -300.005 PRESSAVG: 2344000 -37.2967 -81.8199 -36.9073 -81.8199 44.5949 -15.9902 -36.9072 -15.9902 17.1632 GPRESSAVG: 2344000 -36.6936 -82.5626 -37.074 -82.2753 45.1744 -15.6022 -35.6409 -15.9603 16.1929 TIMING: 2344000 CPU: 7482.19, 0.00317999/step Wall: 7482.19, 0.00317999/step, 2.34613 hours remaining, 233.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2344000 3906.3468 20619.3672 14489.0412 235.6719 -203176.3316 2373.7462 0.0000 0.0000 52008.5562 -109543.6021 298.8939 -161552.1583 -109173.3153 299.5574 -129.9548 -104.1809 760436.0342 8.1538 8.2246 PRESSURE: 2344200 72.0581 -218.347 -78.0041 -218.346 -275.233 150.584 -78.0042 150.584 -301.789 GPRESSURE: 2344200 82.0455 -321.626 -52.8779 -279.502 -161.901 245.961 -82.8794 90.5453 -345.783 PRESSAVG: 2344200 22.7047 -2.84495 29.3744 -2.84499 -17.1164 -28.7201 29.3743 -28.7201 -6.65396 GPRESSAVG: 2344200 22.2941 -3.15742 30.9896 -2.43204 -17.6028 -29.5159 27.6436 -25.1505 -6.02051 TIMING: 2344200 CPU: 7482.83, 0.00317063/step Wall: 7482.83, 0.00317063/step, 2.33905 hours remaining, 233.937500 MB of memory in use. ENERGY: 2344200 3995.2349 20413.7616 14472.1189 228.9053 -202851.6721 2325.3396 0.0000 0.0000 52058.3800 -109357.9317 299.1802 -161416.3117 -108985.3239 299.0050 -168.3213 -141.8795 761813.5739 -0.3552 -0.4431 LDB: ============= START OF LOAD BALANCING ============== 7495.25 LDB: ============== END OF LOAD BALANCING =============== 7495.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.25 LDB: ============= START OF LOAD BALANCING ============== 7495.57 LDB: Largest compute 7033 load 0.037448 is 19.2% of average load 0.195416 LDB: Average compute 0.004380 is 2.2% of average load 0.195416 LDB: TIME 7495.57 LOAD: AVG 0.195416 MAX 0.213852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.406 MB LDB: TIME 7495.57 LOAD: AVG 0.195416 MAX 0.213852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: TIME 7495.57 LOAD: AVG 0.195416 MAX 0.213852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: ============== END OF LOAD BALANCING =============== 7495.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.58 PRESSURE: 2344400 -471.871 -170.621 -286.985 -170.621 -59.07 -171.799 -286.984 -171.8 -108.496 GPRESSURE: 2344400 -341.185 -166.405 -274.002 -145.558 -81.032 -164.316 -201.597 -103.987 -147.011 PRESSAVG: 2344400 -33.076 -16.6975 -36.6915 -16.6976 54.5679 14.3435 -36.6915 14.3436 -41.425 GPRESSAVG: 2344400 -32.2669 -17.3143 -38.0166 -14.8722 55.5971 14.3779 -35.4498 12.5793 -42.6857 TIMING: 2344400 CPU: 7483.47, 0.00323432/step Wall: 7483.47, 0.00323432/step, 2.38585 hours remaining, 234.250000 MB of memory in use. ENERGY: 2344400 3967.1414 20534.4529 14450.3218 234.2852 -202974.9874 2166.8057 0.0000 0.0000 52142.4832 -109479.4972 299.6636 -161621.9805 -109117.0902 298.7985 -213.1455 -189.7425 759185.3736 -6.6444 -6.4519 PRESSURE: 2344600 -81.6282 -125.03 33.0441 -125.031 50.8716 72.8342 33.0445 72.8343 -238.334 GPRESSURE: 2344600 -9.51702 -32.8871 73.1363 -1.11093 77.4093 -46.6074 96.4535 63.0438 -262.202 PRESSAVG: 2344600 -6.78517 -55.7925 -14.9413 -55.7925 13.4908 -24.2191 -14.9413 -24.2191 34.9983 GPRESSAVG: 2344600 -6.26431 -54.9728 -13.238 -57.9128 11.8502 -25.0822 -13.3902 -24.2346 35.9818 TIMING: 2344600 CPU: 7484.11, 0.00317376/step Wall: 7484.11, 0.00317376/step, 2.341 hours remaining, 234.320312 MB of memory in use. ENERGY: 2344600 3931.9079 20595.2538 14493.3270 236.6359 -202942.9182 2364.2994 0.0000 0.0000 52051.7548 -109269.7394 299.1422 -161321.4942 -108903.4748 299.1064 -89.6967 -64.7699 760943.7376 13.9013 13.8559 PRESSURE: 2344800 -46.4123 -83.7113 -298.619 -83.711 174.017 79.886 -298.619 79.8848 -218.485 GPRESSURE: 2344800 -42.6937 -96.7912 -233.216 -158.807 198.278 0.936756 -348.518 27.4091 -195.623 PRESSAVG: 2344800 13.9765 -31.884 -5.94691 -31.884 7.76168 0.589759 -5.94694 0.589789 -17.4425 GPRESSAVG: 2344800 14.4876 -32.8767 -6.80018 -31.7726 8.06429 2.23014 -9.34183 0.199807 -18.7017 TIMING: 2344800 CPU: 7484.74, 0.00316946/step Wall: 7484.74, 0.00316946/step, 2.33765 hours remaining, 234.320312 MB of memory in use. ENERGY: 2344800 4042.6831 20616.6641 14483.3181 231.4303 -203239.1174 2678.6054 0.0000 0.0000 52095.1057 -109091.3107 299.3913 -161186.4164 -108724.7207 299.4050 -30.2935 -13.3464 761790.8936 1.4319 1.2834 PRESSURE: 2345000 -182.279 -96.0067 199.979 -96.0067 -187.856 242.533 199.979 242.532 -413.052 GPRESSURE: 2345000 -133.181 -72.3052 159.253 -58.8879 -145.56 289.133 244.689 339.456 -425.852 PRESSAVG: 2345000 -54.6854 -3.79803 -36.3687 -3.79799 62.5296 3.0705 -36.3687 3.07054 -19.493 GPRESSAVG: 2345000 -56.2292 -3.00668 -37.536 -4.94476 61.9883 3.48764 -35.7337 4.42855 -16.9826 TIMING: 2345000 CPU: 7485.38, 0.00318846/step Wall: 7485.38, 0.00318846/step, 2.35149 hours remaining, 234.320312 MB of memory in use. ENERGY: 2345000 3975.0071 20677.1473 14505.3118 241.5330 -203686.8069 2613.8605 0.0000 0.0000 52440.6858 -109233.2613 301.3773 -161673.9472 -108870.2487 299.9523 -261.0625 -234.8642 759855.1126 -3.8829 -3.7411 PRESSURE: 2345200 383.656 56.0038 -147.508 56.0041 202.616 -61.8312 -147.508 -61.8312 -49.4411 GPRESSURE: 2345200 363.78 92.6705 -95.327 74.5907 278.479 -15.4493 -119.749 49.5956 -16.4778 PRESSAVG: 2345200 -21.1666 -75.7648 37.8448 -75.7648 4.55988 -24.3613 37.8448 -24.3612 14.2513 GPRESSAVG: 2345200 -19.537 -76.7236 39.1084 -73.5239 5.17281 -26.2709 40.0691 -22.3772 12.3736 TIMING: 2345200 CPU: 7486.02, 0.00318731/step Wall: 7486.02, 0.00318731/step, 2.35046 hours remaining, 234.320312 MB of memory in use. ENERGY: 2345200 3964.5730 20517.1380 14480.8340 255.0360 -203395.0005 2602.6078 0.0000 0.0000 52194.4092 -109380.4026 299.9620 -161574.8118 -109014.9256 299.9374 178.9437 208.5936 760187.1588 -0.7851 -0.6635 PRESSURE: 2345400 -192.484 101.4 -26.1392 101.4 -53.4447 74.3388 -26.1402 74.3382 -18.8298 GPRESSURE: 2345400 -124.023 26.218 -14.4144 21.0561 16.0759 135.583 67.001 -156.143 -74.7844 PRESSAVG: 2345400 -7.03272 27.9615 -46.7995 27.9615 15.9208 -25.9925 -46.7995 -25.9925 -0.961784 GPRESSAVG: 2345400 -9.22055 27.7884 -48.2658 28.045 16.7129 -25.5428 -46.2218 -28.7287 0.124247 TIMING: 2345400 CPU: 7486.66, 0.00320457/step Wall: 7486.66, 0.00320457/step, 2.36302 hours remaining, 234.320312 MB of memory in use. ENERGY: 2345400 4002.6906 20496.3714 14507.2913 248.4640 -203137.2423 2571.5641 0.0000 0.0000 52019.5633 -109291.2976 298.9571 -161310.8608 -108920.2021 299.2081 -88.2529 -60.9106 760179.1316 2.6421 2.5389 PRESSURE: 2345600 -160.199 106.77 -268.682 106.77 -48.272 233.081 -268.683 233.082 5.77412 GPRESSURE: 2345600 9.74914 15.4599 -180.29 100.598 -131.901 151.092 -221.716 231.29 1.91158 PRESSAVG: 2345600 31.1778 -5.24447 16.35 -5.24439 -11.4232 21.996 16.35 21.9961 22.4043 GPRESSAVG: 2345600 32.8531 -4.93064 15.7742 -7.35821 -13.224 22.6464 14.2468 22.991 22.674 TIMING: 2345600 CPU: 7487.3, 0.00318495/step Wall: 7487.3, 0.00318495/step, 2.34837 hours remaining, 234.320312 MB of memory in use. ENERGY: 2345600 3928.3193 20453.0071 14496.5611 229.2000 -203388.5390 2608.5486 0.0000 0.0000 52219.7844 -109453.1185 300.1078 -161672.9029 -109092.6225 299.0368 -67.5657 -40.0799 761847.2244 14.0530 14.1011 PRESSURE: 2345800 -397.375 -17.8845 109.161 -17.8838 20.9221 25.9398 109.16 25.9385 51.1569 GPRESSURE: 2345800 -313.112 75.1302 139.322 -51.7572 39.2834 99.0743 14.7082 -0.828707 45.1489 PRESSAVG: 2345800 1.85511 1.47447 -20.4534 1.47446 -37.3424 -1.15832 -20.4534 -1.15815 -4.0263 GPRESSAVG: 2345800 1.42148 0.73188 -20.0482 2.31184 -36.5966 -2.80324 -19.9527 -0.468348 -4.25624 TIMING: 2345800 CPU: 7487.93, 0.00316915/step Wall: 7487.93, 0.00316915/step, 2.33655 hours remaining, 234.320312 MB of memory in use. ENERGY: 2345800 4011.1498 20382.4665 14442.4749 261.0775 -202818.5639 2215.2394 0.0000 0.0000 52012.2120 -109493.9439 298.9149 -161506.1559 -109127.9980 299.1408 -108.4320 -76.2266 760455.0560 -13.1712 -13.1438 PRESSURE: 2346000 98.6656 128.481 -132.834 128.482 -127.554 39.3038 -132.833 39.3031 171.822 GPRESSURE: 2346000 89.1236 23.2353 -117.388 133.082 -20.411 42.3131 -98.1267 -55.2611 182.815 PRESSAVG: 2346000 68.3702 -45.7145 -34.6247 -45.7145 -55.8252 18.4446 -34.6248 18.4446 14.7028 GPRESSAVG: 2346000 67.3117 -44.8294 -33.8921 -45.8523 -55.2973 19.1863 -36.3948 16.1831 15.359 TIMING: 2346000 CPU: 7488.56, 0.0031612/step Wall: 7488.56, 0.0031612/step, 2.3305 hours remaining, 234.320312 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: 2346000 3943.3823 20444.2299 14473.5446 229.7053 -203288.6283 2509.9476 0.0000 0.0000 52087.6691 -109600.1495 299.3486 -161687.8186 -109231.3446 299.0601 47.6447 83.8425 761040.7797 9.0826 9.1244 PRESSURE: 2346200 184.086 -70.5469 -82.4767 -70.5462 115.219 172.182 -82.4774 172.181 21.2782 GPRESSURE: 2346200 206.613 -91.465 -37.0857 -44.0175 159.653 179.36 -43.3297 225.459 39.3168 PRESSAVG: 2346200 49.6962 -22.6189 -62.7458 -22.619 -78.6347 22.6557 -62.7458 22.6558 -23.4587 GPRESSAVG: 2346200 50.365 -24.6826 -62.1328 -21.9965 -79.5865 23.1116 -62.3666 22.6941 -23.552 TIMING: 2346200 CPU: 7489.2, 0.00319233/step Wall: 7489.2, 0.00319233/step, 2.35328 hours remaining, 234.320312 MB of memory in use. ENERGY: 2346200 4029.1495 20458.6257 14414.6852 253.6676 -203252.5024 2492.0789 0.0000 0.0000 52060.1462 -109544.1492 299.1904 -161604.2955 -109182.7422 298.8031 106.8610 135.1944 760324.2529 -17.4658 -17.5912 PRESSURE: 2346400 -44.1742 -8.51942 84.2548 -8.51969 23.9947 -145.08 84.2539 -145.079 205.499 GPRESSURE: 2346400 -44.8307 32.9676 44.475 40.8926 101.516 -107.81 -33.7972 -191.05 201.208 PRESSAVG: 2346400 -19.6836 -9.18225 -70.1793 -9.18216 -12.9317 -17.8985 -70.1793 -17.8986 -17.6372 GPRESSAVG: 2346400 -19.4284 -7.3286 -72.3155 -8.36284 -12.6074 -16.8878 -68.1285 -18.68 -18.4442 TIMING: 2346400 CPU: 7489.84, 0.00317747/step Wall: 7489.84, 0.00317747/step, 2.34215 hours remaining, 234.320312 MB of memory in use. ENERGY: 2346400 3985.9097 20548.4001 14514.2399 241.5099 -203347.5482 2461.9441 0.0000 0.0000 52146.6417 -109448.9029 299.6875 -161595.5446 -109090.2462 299.1758 61.7733 85.9644 761722.1499 -16.7508 -16.8267 PRESSURE: 2346600 6.84428 -243.607 252.924 -243.607 45.0133 218.086 252.924 218.085 136.621 GPRESSURE: 2346600 -16.3052 -130.854 293.363 -144.474 77.2398 241.255 227.868 72.65 219.304 PRESSAVG: 2346600 20.4819 -8.5389 21.7368 -8.53893 -11.055 -28.498 21.7369 -28.498 22.493 GPRESSAVG: 2346600 20.3253 -8.10742 22.473 -10.0522 -11.5134 -31.1489 19.5205 -28.5897 23.0244 TIMING: 2346600 CPU: 7490.47, 0.00317394/step Wall: 7490.47, 0.00317394/step, 2.33937 hours remaining, 234.320312 MB of memory in use. ENERGY: 2346600 3955.5812 20703.9567 14496.0735 234.3915 -203437.0998 2664.1466 0.0000 0.0000 51991.3995 -109391.5507 298.7953 -161382.9502 -109039.0493 299.6582 62.8263 93.4128 761289.5917 10.6400 10.6121 PRESSURE: 2346800 108.885 224.287 111.429 224.287 -59.6528 -63.5413 111.428 -63.5413 -155.9 GPRESSURE: 2346800 171.803 119.957 99.1328 192.092 -42.6342 -54.5915 45.903 -185.023 -131.961 PRESSAVG: 2346800 36.3392 -5.19109 -28.3471 -5.191 -29.9215 -21.657 -28.3471 -21.657 13.3409 GPRESSAVG: 2346800 35.2381 -5.20425 -27.6251 -5.30322 -29.0195 -20.6425 -26.4548 -20.2531 13.3802 TIMING: 2346800 CPU: 7491.11, 0.00317052/step Wall: 7491.11, 0.00317052/step, 2.33668 hours remaining, 234.320312 MB of memory in use. ENERGY: 2346800 4056.9034 20439.7584 14496.4424 241.6239 -203652.5711 2764.2211 0.0000 0.0000 52168.6420 -109484.9799 299.8139 -161653.6219 -109115.2014 298.7763 -35.5557 -0.9307 760704.2698 6.5862 6.5329 PRESSURE: 2347000 6.1674 -168.979 106.157 -168.979 376.897 -55.6338 106.157 -55.6343 115.805 GPRESSURE: 2347000 43.765 -63.1044 32.2616 -179.264 458.029 -34.0841 76.9468 -98.1273 80.055 PRESSAVG: 2347000 0.776363 -8.89951 22.8002 -8.89949 30.4251 -21.3343 22.8002 -21.3342 -21.0585 GPRESSAVG: 2347000 1.46186 -8.15423 23.9776 -8.67578 29.495 -20.9993 22.7976 -21.1063 -21.0362 TIMING: 2347000 CPU: 7491.74, 0.00318116/step Wall: 7491.74, 0.00318116/step, 2.34434 hours remaining, 234.320312 MB of memory in use. ENERGY: 2347000 3909.3544 20657.1907 14521.7296 244.3319 -203677.6876 2756.6719 0.0000 0.0000 52014.6700 -109573.7390 298.9290 -161588.4090 -109219.2246 299.2676 166.2897 193.9497 760752.9734 3.3810 3.3069 PRESSURE: 2347200 125.509 -96.5246 46.6753 -96.5249 -228.683 -109.525 46.6752 -109.526 54.4286 GPRESSURE: 2347200 44.615 -170.575 53.6058 10.7407 -82.9256 -141.069 -125.829 26.5512 64.1519 PRESSAVG: 2347200 -20.4004 -13.8767 47.8328 -13.8767 34.4602 12.8703 47.8328 12.8703 15.5826 GPRESSAVG: 2347200 -21.2788 -16.0403 46.4326 -16.5868 35.486 13.319 46.4833 13.5815 15.315 TIMING: 2347200 CPU: 7492.38, 0.00318867/step Wall: 7492.38, 0.00318867/step, 2.3497 hours remaining, 234.320312 MB of memory in use. ENERGY: 2347200 3953.7464 20659.9261 14449.4643 249.9842 -203303.1274 2349.8760 0.0000 0.0000 52056.4986 -109583.6319 299.1694 -161640.1305 -109215.1380 298.8694 -16.2486 8.6138 761301.9146 9.8808 9.8407 PRESSURE: 2347400 -159.358 -46.8232 -120.51 -46.8228 -162.989 179.265 -120.509 179.265 200.029 GPRESSURE: 2347400 -140.226 17.5646 -48.5916 -123.798 -67.5811 134.881 -36.0115 136.551 177.351 PRESSAVG: 2347400 13.2056 -66.9151 15.6306 -66.9151 13.7577 32.8637 15.6306 32.8638 -11.124 GPRESSAVG: 2347400 14.148 -65.0084 17.6313 -63.8361 12.5311 31.0919 15.1713 31.7898 -11.1079 TIMING: 2347400 CPU: 7493.01, 0.00315815/step Wall: 7493.01, 0.00315815/step, 2.32703 hours remaining, 234.320312 MB of memory in use. ENERGY: 2347400 4037.3170 20604.9018 14485.2822 252.6243 -203844.5677 2886.5891 0.0000 0.0000 52082.4690 -109495.3843 299.3187 -161577.8533 -109132.7613 298.9558 -40.7727 -10.1521 761335.1296 5.2798 5.1904 PRESSURE: 2347600 -247.738 -5.84198 61.8985 -5.84176 79.2352 6.26894 61.8984 6.26873 -71.644 GPRESSURE: 2347600 -101.904 -137.781 123.508 86.1629 7.7433 -73.6379 29.4443 97.6876 -69.687 PRESSAVG: 2347600 -3.5042 -42.5837 20.2071 -42.5837 4.16071 35.8758 20.2071 35.8758 18.4663 GPRESSAVG: 2347600 -3.25998 -41.4056 19.6381 -43.2297 2.98886 37.0286 21.101 37.4337 19.277 TIMING: 2347600 CPU: 7493.64, 0.00315228/step Wall: 7493.64, 0.00315228/step, 2.32253 hours remaining, 234.320312 MB of memory in use. ENERGY: 2347600 4028.5171 20692.2540 14494.0072 236.4351 -203523.8071 2460.2285 0.0000 0.0000 51945.4609 -109666.9043 298.5313 -161612.3652 -109299.9630 299.1382 -80.0490 -54.6160 760803.4357 6.3743 6.3353 PRESSURE: 2347800 -223.058 -86.8637 -123.079 -86.8641 -196.927 -166.207 -123.079 -166.207 -204.07 GPRESSURE: 2347800 -214.903 -79.8528 -125.198 -53.2919 -116.769 -177.64 -49.4097 -135.262 -216.802 PRESSAVG: 2347800 8.04015 -39.5912 -5.75906 -39.5912 34.4776 20.2884 -5.75901 20.2883 20.21 GPRESSAVG: 2347800 7.64704 -41.2584 -7.39786 -39.1678 35.1734 19.6449 -4.26502 19.2988 19.8596 TIMING: 2347800 CPU: 7494.28, 0.00317844/step Wall: 7494.28, 0.00317844/step, 2.34163 hours remaining, 234.320312 MB of memory in use. ENERGY: 2347800 4038.3960 20714.7342 14542.4085 247.3697 -203247.5421 2383.8089 0.0000 0.0000 51891.4786 -109429.3462 298.2210 -161320.8247 -109063.8077 299.3897 -208.0182 -182.8248 762472.4359 20.9093 20.8933 PRESSURE: 2348000 -29.3837 89.6141 244.987 89.6137 206.843 115.779 244.987 115.779 -209.085 GPRESSURE: 2348000 56.4235 81.5081 197.756 45.9479 247.684 51.8683 307.015 83.9723 -246.211 PRESSAVG: 2348000 2.89036 -11.5214 -1.71091 -11.5214 51.0073 -11.3872 -1.71088 -11.3872 -11.125 GPRESSAVG: 2348000 3.61832 -10.0759 -0.79124 -10.9021 50.7228 -10.1117 -0.660338 -12.4026 -11.7784 TIMING: 2348000 CPU: 7494.91, 0.00317649/step Wall: 7494.91, 0.00317649/step, 2.34001 hours remaining, 234.320312 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: 2348000 4036.4655 20545.1919 14539.9434 264.0161 -203135.5003 2492.4332 0.0000 0.0000 51960.1084 -109297.3417 298.6155 -161257.4501 -108934.0329 299.6209 -10.5420 19.2990 761270.1045 14.2576 14.1876 PRESSURE: 2348200 486.109 -49.1603 -78.5001 -49.1603 251.283 -101.795 -78.501 -101.795 427.509 GPRESSURE: 2348200 465.049 -157.551 -56.5755 78.0707 339.123 -58.1898 10.3633 -26.4952 438.88 PRESSAVG: 2348200 -20.0086 -20.6124 9.12451 -20.6124 39.7363 -22.4982 9.12449 -22.4982 12.1972 GPRESSAVG: 2348200 -21.5642 -23.35 9.06646 -21.2198 39.9739 -24.6714 9.83817 -22.5299 13.2168 TIMING: 2348200 CPU: 7495.54, 0.00315731/step Wall: 7495.54, 0.00315731/step, 2.32571 hours remaining, 234.320312 MB of memory in use. ENERGY: 2348200 3943.9691 20476.3291 14488.7897 222.0748 -203398.3449 3004.4658 0.0000 0.0000 52085.2867 -109177.4295 299.3349 -161262.7162 -108820.3558 299.7237 388.3006 414.3506 761128.4478 10.6416 10.5422 LDB: ============= START OF LOAD BALANCING ============== 7507.96 LDB: ============== END OF LOAD BALANCING =============== 7507.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7507.97 LDB: ============= START OF LOAD BALANCING ============== 7508.29 LDB: Largest compute 7033 load 0.035639 is 18.2% of average load 0.195448 LDB: Average compute 0.004373 is 2.2% of average load 0.195448 LDB: TIME 7508.29 LOAD: AVG 0.195448 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.508 MB LDB: TIME 7508.29 LOAD: AVG 0.195448 MAX 0.214102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.512 MB LDB: TIME 7508.29 LOAD: AVG 0.195448 MAX 0.214102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.512 MB LDB: ============== END OF LOAD BALANCING =============== 7508.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7508.3 PRESSURE: 2348400 -11.8324 -0.469277 117.935 -0.46922 -45.1768 59.2884 117.935 59.2882 -216.942 GPRESSURE: 2348400 23.0491 -135.82 45.2874 -34.3408 -34.0194 45.7118 -39.1457 -45.7964 -165.451 PRESSAVG: 2348400 33.4645 -1.67974 23.4183 -1.67975 13.477 -50.2615 23.4183 -50.2616 13.007 GPRESSAVG: 2348400 32.8826 -2.73924 24.4588 0.909431 13.2827 -48.7636 20.3255 -47.9739 13.5613 TIMING: 2348400 CPU: 7496.19, 0.00323284/step Wall: 7496.19, 0.00323284/step, 2.38117 hours remaining, 233.222656 MB of memory in use. ENERGY: 2348400 4021.9743 20377.0097 14521.8060 255.8658 -203404.2296 2724.4709 0.0000 0.0000 52428.1194 -109074.9836 301.3051 -161503.1030 -108712.7114 300.3291 -91.3170 -58.8072 761173.2303 19.9829 19.9089 PRESSURE: 2348600 98.957 54.034 -51.1814 54.0344 341.825 9.79152 -51.1812 9.79185 73.6007 GPRESSURE: 2348600 139.436 115.728 47.8191 17.2929 416.766 110.888 -17.9058 24.4788 25.3679 PRESSAVG: 2348600 16.7587 6.15745 -8.64433 6.1574 -55.1866 -3.46232 -8.64435 -3.46223 14.9614 GPRESSAVG: 2348600 17.7969 8.55586 -8.79591 4.43311 -54.5986 -2.03278 -8.66052 -6.14502 13.5867 TIMING: 2348600 CPU: 7496.82, 0.00316006/step Wall: 7496.82, 0.00316006/step, 2.32738 hours remaining, 233.222656 MB of memory in use. ENERGY: 2348600 3986.6440 20468.7097 14527.0774 238.7484 -203651.0970 2814.4842 0.0000 0.0000 52368.6903 -109246.7432 300.9636 -161615.4334 -108878.4471 299.8668 171.4608 193.8566 759645.4987 -7.8222 -7.7384 PRESSURE: 2348800 -182.43 -9.53298 174.3 -9.53187 56.9116 -62.4438 174.3 -62.4436 387.098 GPRESSURE: 2348800 -162.337 -31.8846 210.532 -33.6474 118.059 -149.321 225.752 14.6816 378.371 PRESSAVG: 2348800 -76.7281 0.4312 36.6985 0.431203 60.4674 28.7477 36.6986 28.7477 -11.7425 GPRESSAVG: 2348800 -76.3981 0.525454 36.1992 -1.86797 59.3915 28.346 35.5099 29.5516 -11.2231 TIMING: 2348800 CPU: 7497.45, 0.00315871/step Wall: 7497.45, 0.00315871/step, 2.32622 hours remaining, 233.347656 MB of memory in use. ENERGY: 2348800 3886.3449 20408.5067 14443.7157 227.8873 -203017.4064 2402.2963 0.0000 0.0000 52079.7413 -109568.9142 299.3030 -161648.6556 -109198.6441 299.2182 87.1932 111.3645 759563.3205 -9.3344 -9.4099 PRESSURE: 2349000 -184.943 -67.0536 -272.11 -67.0534 -339.957 228.597 -272.11 228.597 -51.8771 GPRESSURE: 2349000 -153.021 14.8245 -229.919 -6.88743 -360.423 302.716 -132.443 198.549 18.1602 PRESSAVG: 2349000 -3.91371 3.2623 -0.0565299 3.26234 -16.0406 17.2485 -0.0565146 17.2485 -5.29868 GPRESSAVG: 2349000 -5.36739 2.62935 1.96298 5.56293 -14.666 17.1741 -0.403554 16.6019 -4.97073 TIMING: 2349000 CPU: 7498.09, 0.00316628/step Wall: 7498.09, 0.00316628/step, 2.33161 hours remaining, 233.347656 MB of memory in use. ENERGY: 2349000 3987.0831 20588.1120 14413.7593 240.4711 -202959.1320 2273.3590 0.0000 0.0000 51930.0529 -109526.2945 298.4427 -161456.3474 -109170.9219 299.1588 -192.2593 -165.0946 759746.3050 -8.4177 -8.3347 PRESSURE: 2349200 -163.688 -52.3744 71.6257 -52.3743 298.366 -41.9925 71.626 -41.9928 -133.743 GPRESSURE: 2349200 -97.9102 58.1725 89.1982 36.0304 327.461 -30.249 106.682 -137.549 -169.503 PRESSAVG: 2349200 36.8532 -7.12856 -12.2395 -7.12856 -0.376795 10.7128 -12.2395 10.7128 -9.09066 GPRESSAVG: 2349200 36.5851 -6.49279 -15.0006 -6.75278 -0.643495 10.8713 -10.0659 10.9522 -8.36646 TIMING: 2349200 CPU: 7498.72, 0.00314815/step Wall: 7498.72, 0.00314815/step, 2.31809 hours remaining, 233.347656 MB of memory in use. ENERGY: 2349200 3986.8123 20582.6469 14493.3213 246.9879 -203725.1138 2819.9224 0.0000 0.0000 52038.1186 -109557.3045 299.0638 -161595.4231 -109206.5063 298.9488 0.3119 20.0159 759227.1153 9.1286 9.1917 PRESSURE: 2349400 -116.442 145.521 51.1613 145.521 210.053 -187.437 51.1621 -187.438 -250.435 GPRESSURE: 2349400 -65.7058 73.6237 129.731 101.862 211.132 -259.096 63.0602 -109.854 -208.516 PRESSAVG: 2349400 13.8061 53.4013 34.1257 53.4013 -27.9872 1.01812 34.1257 1.018 -0.627869 GPRESSAVG: 2349400 14.9753 52.7013 36.1009 52.44 -28.7127 2.77112 32.7106 -0.0549096 -1.10158 TIMING: 2349400 CPU: 7499.34, 0.00313504/step Wall: 7499.34, 0.00313504/step, 2.30826 hours remaining, 233.347656 MB of memory in use. ENERGY: 2349400 4008.9436 20548.4897 14419.0249 239.8026 -203092.6552 2541.1859 0.0000 0.0000 51925.9230 -109409.2853 298.4190 -161335.2083 -109057.2512 298.7725 -52.2745 -21.0298 759928.9844 -4.9363 -4.9463 PRESSURE: 2349600 -76.4347 217.539 191.925 217.539 128.929 -157.713 191.925 -157.714 27.6393 GPRESSURE: 2349600 -25.0451 200.469 186.005 97.8216 170.162 -83.5209 59.4416 -117.524 20.0519 PRESSAVG: 2349600 4.8973 -44.6023 2.89561 -44.6023 -12.5322 -35.6038 2.89561 -35.6038 19.0628 GPRESSAVG: 2349600 4.20108 -43.04 3.08348 -46.1271 -12.8796 -38.2657 3.43423 -35.0899 20.4417 TIMING: 2349600 CPU: 7499.98, 0.003154/step Wall: 7499.98, 0.003154/step, 2.32205 hours remaining, 233.546875 MB of memory in use. ENERGY: 2349600 3976.3147 20379.5423 14436.5710 230.4632 -203055.6116 2629.8433 0.0000 0.0000 51965.1822 -109437.6951 298.6446 -161402.8772 -109075.2475 299.1756 26.7112 55.0563 761357.3060 3.8093 3.9210 PRESSURE: 2349800 -115.771 -44.5037 -162.557 -44.503 92.0459 -45.9605 -162.558 -45.9613 -296.605 GPRESSURE: 2349800 -13.938 -34.2086 -187.149 1.61426 136.802 -71.1885 -92.1669 11.5748 -369.693 PRESSAVG: 2349800 11.8021 3.71743 -0.606476 3.71743 5.86709 48.3304 -0.60649 48.3303 2.95028 GPRESSAVG: 2349800 12.9289 3.28451 -1.26556 6.14413 5.89362 48.1625 -2.66419 50.3272 1.47558 TIMING: 2349800 CPU: 7500.6, 0.0031161/step Wall: 7500.6, 0.0031161/step, 2.29397 hours remaining, 233.546875 MB of memory in use. ENERGY: 2349800 4046.0686 20387.3559 14451.8026 242.4507 -203143.9374 2368.7313 0.0000 0.0000 52115.7836 -109531.7447 299.5101 -161647.5283 -109171.1548 298.9011 -106.7770 -82.2766 761756.9472 6.8732 6.7660 PRESSURE: 2350000 157.461 32.2423 -92.0299 32.2422 430.308 109.455 -92.0302 109.456 136.893 GPRESSURE: 2350000 228.053 133.698 -3.70083 45.3873 409.933 41.9883 89.215 112.09 178.607 PRESSAVG: 2350000 29.9959 -24.0409 41.0618 -24.0409 -65.914 56.5418 41.0618 56.5418 24.4512 GPRESSAVG: 2350000 29.8267 -23.796 43.0515 -24.0885 -65.9521 58.8857 41.4999 56.3265 24.439 TIMING: 2350000 CPU: 7501.22, 0.00312893/step Wall: 7501.22, 0.00312893/step, 2.30324 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2350000 3914.1679 20466.2886 14498.1417 249.6161 -203990.4491 2931.9343 0.0000 0.0000 52238.0135 -109692.2870 300.2126 -161930.3005 -109324.5387 299.2725 241.5542 272.1974 759164.8435 -3.8223 -3.8955 PRESSURE: 2350200 410.543 -118.296 -194.442 -118.297 -499.877 315.399 -194.441 315.397 -354.794 GPRESSURE: 2350200 231.741 -117.975 -176.4 -69.3383 -358.698 275.555 -289.476 333.755 -242.337 PRESSAVG: 2350200 -0.531169 51.8195 4.69168 51.8196 -0.958233 38.4278 4.69161 38.4278 -2.83634 GPRESSAVG: 2350200 -2.01381 51.2147 2.00575 52.5433 -0.178708 36.1123 8.28815 36.6323 -2.30497 TIMING: 2350200 CPU: 7501.85, 0.00313817/step Wall: 7501.85, 0.00313817/step, 2.30987 hours remaining, 233.546875 MB of memory in use. ENERGY: 2350200 3983.8905 20572.4312 14490.0158 239.8482 -203694.3955 2559.4623 0.0000 0.0000 52098.8125 -109749.9351 299.4126 -161848.7476 -109387.0370 299.1814 -148.0426 -123.0981 759835.4591 -1.4419 -1.4992 PRESSURE: 2350400 -68.9431 -56.1026 -35.9617 -56.1026 -283.895 -213.788 -35.9606 -213.789 -244.962 GPRESSURE: 2350400 -50.6494 5.1099 -96.0175 1.18029 -259.3 -114.503 1.82443 -350.855 -214.986 PRESSAVG: 2350400 14.4827 -23.5939 14.4887 -23.5939 -34.8871 -27.4436 14.4887 -27.4435 -14.315 GPRESSAVG: 2350400 14.3118 -23.2397 14.6188 -25.2649 -34.6355 -24.9323 13.4209 -27.3661 -14.733 TIMING: 2350400 CPU: 7502.48, 0.00314195/step Wall: 7502.48, 0.00314195/step, 2.31247 hours remaining, 233.546875 MB of memory in use. ENERGY: 2350400 4018.1648 20756.6952 14509.7708 235.2908 -203392.2948 2318.9867 0.0000 0.0000 51870.6016 -109682.7849 298.1011 -161553.3864 -109317.6485 298.9379 -199.2668 -174.9782 760206.7456 -11.5731 -11.6855 PRESSURE: 2350600 2.3314 -163.349 110.773 -163.35 -172.742 90.678 110.772 90.6781 -260.652 GPRESSURE: 2350600 -3.42253 -200.232 209.278 -108.573 -109.203 126.487 54.237 170.863 -240.428 PRESSAVG: 2350600 38.7592 -7.13763 37.0814 -7.13764 -42.7189 -30.7377 37.0815 -30.7377 9.06011 GPRESSAVG: 2350600 40.4138 -8.18168 38.4138 -6.63783 -43.3275 -31.6411 36.4382 -32.7033 7.9746 TIMING: 2350600 CPU: 7503.11, 0.00314807/step Wall: 7503.11, 0.00314807/step, 2.3168 hours remaining, 233.546875 MB of memory in use. ENERGY: 2350600 4084.1248 20477.1927 14512.6890 257.1307 -203763.2706 2777.8032 0.0000 0.0000 52153.7093 -109500.6210 299.7281 -161654.3302 -109131.3349 299.1708 -143.6876 -117.6847 759618.0043 1.7001 1.6870 PRESSURE: 2350800 533.064 -262.107 174.689 -262.107 213.111 -87.3965 174.689 -87.3973 32.2384 GPRESSURE: 2350800 452.66 -179.443 128.724 -169.663 328.077 -69.6347 32.1961 -198.551 81.5831 PRESSAVG: 2350800 -19.9318 11.6333 40.1619 11.6334 4.3634 -17.0347 40.1619 -17.0346 -0.271016 GPRESSAVG: 2350800 -21.4366 13.1772 38.5293 11.8115 6.23332 -17.4428 41.373 -14.8602 -0.748509 TIMING: 2350800 CPU: 7503.74, 0.00314392/step Wall: 7503.74, 0.00314392/step, 2.31357 hours remaining, 233.546875 MB of memory in use. ENERGY: 2350800 3948.6141 20672.4650 14486.2788 251.7469 -204122.2079 2957.4882 0.0000 0.0000 52344.8918 -109460.7231 300.8268 -161805.6149 -109084.3824 299.5430 259.4710 287.4400 759496.3379 -5.2798 -5.3173 PRESSURE: 2351000 22.8636 53.7866 -13.0828 53.7858 -199.558 24.1171 -13.0831 24.1163 -73.9592 GPRESSURE: 2351000 21.0016 83.0591 -19.1889 49.7484 -183.542 -22.0302 -71.1583 1.75988 -1.55095 PRESSAVG: 2351000 61.5764 1.20788 -6.94567 1.2078 -46.938 -20.59 -6.94569 -20.5899 2.46278 GPRESSAVG: 2351000 62.8655 -0.0248876 -6.99604 0.339207 -48.3967 -21.5854 -8.94614 -22.952 2.62614 TIMING: 2351000 CPU: 7504.37, 0.0031766/step Wall: 7504.37, 0.0031766/step, 2.33745 hours remaining, 233.546875 MB of memory in use. ENERGY: 2351000 3966.5975 20747.8597 14467.5096 238.2494 -203256.5500 2384.2383 0.0000 0.0000 51973.3261 -109478.7694 298.6914 -161452.0955 -109114.7903 299.3905 -83.5512 -54.6970 760050.4240 5.7004 5.6983 PRESSURE: 2351200 220.47 -60.472 -76.6066 -60.4725 -272.437 -36.1846 -76.6064 -36.1856 126.95 GPRESSURE: 2351200 251.132 31.8224 -95.5136 31.4726 -163.99 -135.32 10.0839 108.173 79.1484 PRESSAVG: 2351200 -24.1185 28.857 -45.7708 28.857 26.8069 -23.9388 -45.7708 -23.9388 -8.7653 GPRESSAVG: 2351200 -24.7736 29.3292 -44.7762 30.4864 27.6522 -23.2749 -44.8674 -21.974 -8.77603 TIMING: 2351200 CPU: 7505.01, 0.00317843/step Wall: 7505.01, 0.00317843/step, 2.33862 hours remaining, 233.546875 MB of memory in use. ENERGY: 2351200 4141.9293 20666.0651 14504.9629 247.4919 -203457.8768 2594.7234 0.0000 0.0000 51777.3457 -109525.3584 297.5651 -161302.7041 -109172.4550 298.9588 24.9946 55.4300 760707.1647 -2.0256 -1.9658 PRESSURE: 2351400 -198.736 -127.176 99.1253 -127.176 -169.568 272.172 99.1259 272.171 -219.965 GPRESSURE: 2351400 -159.267 -149.403 83.5471 -140.856 -184.9 223.385 30.0741 330.049 -170 PRESSAVG: 2351400 32.2063 -19.0016 39.4245 -19.0017 -18.9969 34.5579 39.4245 34.5579 14.9943 GPRESSAVG: 2351400 32.3241 -18.4598 39.4306 -19.6372 -20.1602 34.0169 40.3495 34.9134 15.9012 TIMING: 2351400 CPU: 7505.64, 0.00316178/step Wall: 7505.64, 0.00316178/step, 2.32619 hours remaining, 233.546875 MB of memory in use. ENERGY: 2351400 3977.4393 20592.4754 14485.3858 258.1779 -203530.8448 2544.6983 0.0000 0.0000 52171.6092 -109501.0588 299.8310 -161672.6680 -109142.2106 299.0606 -196.0895 -171.3892 762109.6139 9.4012 9.3550 PRESSURE: 2351600 -116.592 -33.7395 84.7776 -33.7391 65.1401 -83.7205 84.7783 -83.7188 -35.4608 GPRESSURE: 2351600 -35.7188 -25.4132 88.4592 -93.0128 110.597 -148.465 118.709 -151.5 -70.0049 PRESSAVG: 2351600 34.5432 -18.9343 7.86966 -18.9343 -50.4218 24.0549 7.8697 24.0548 -13.3696 GPRESSAVG: 2351600 35.7789 -20.2064 7.9112 -19.6609 -50.5158 25.0182 5.49403 24.8091 -13.786 TIMING: 2351600 CPU: 7506.28, 0.00318882/step Wall: 7506.28, 0.00318883/step, 2.34591 hours remaining, 233.546875 MB of memory in use. ENERGY: 2351600 3956.9113 20530.6392 14507.3502 261.0408 -203240.3456 2454.9487 0.0000 0.0000 52135.1847 -109394.2708 299.6216 -161529.4555 -109020.2589 299.4989 -28.9709 1.6246 759556.5665 -9.7494 -9.5076 PRESSURE: 2351800 2.38348 99.8826 2.72607 99.8831 -45.4248 33.723 2.72658 33.7219 -71.2681 GPRESSURE: 2351800 -25.9818 109.211 61.9871 54.5293 10.2762 31.0465 -2.80618 64.1223 1.0641 PRESSAVG: 2351800 109.45 -36.8834 0.629962 -36.8834 -16.5932 1.49463 0.629942 1.49477 -7.66749 GPRESSAVG: 2351800 108.845 -35.6408 1.07442 -35.7142 -16.4133 2.23993 2.87294 1.91027 -7.44046 TIMING: 2351800 CPU: 7506.91, 0.00316772/step Wall: 7506.91, 0.00316772/step, 2.33021 hours remaining, 233.546875 MB of memory in use. ENERGY: 2351800 3934.5239 20385.6110 14399.9464 239.2981 -203135.4591 2405.7162 0.0000 0.0000 52003.2632 -109767.1003 298.8635 -161770.3635 -109400.8175 299.2937 -38.1031 -4.8805 761346.9374 28.3963 28.3305 PRESSURE: 2352000 148.785 204.014 16.2022 204.016 -262.429 45.0132 16.2027 45.0144 122.829 GPRESSURE: 2352000 180.789 234.847 -1.91337 189.771 -261.84 114.535 -63.5672 107.403 175.503 PRESSAVG: 2352000 76.7089 28.9967 -10.0563 28.9967 -32.6829 22.2167 -10.0563 22.2166 5.32171 GPRESSAVG: 2352000 75.6725 28.0347 -11.9678 29.7311 -32.2591 22.1789 -8.50381 18.8522 5.63849 TIMING: 2352000 CPU: 7507.55, 0.00319135/step Wall: 7507.55, 0.00319135/step, 2.34742 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2352000 3970.3052 20311.6651 14476.9053 230.0568 -203744.6535 2906.8208 0.0000 0.0000 52057.6353 -109791.2649 299.1759 -161848.9002 -109431.6572 298.5512 3.0618 31.4838 760965.1409 16.4492 16.3506 PRESSURE: 2352200 298.483 187.432 -77.1926 187.431 158.652 242.842 -77.1928 242.842 142.225 GPRESSURE: 2352200 440.963 119.14 -119.169 96.1196 141.044 251.124 -19.7571 96.5211 107.538 PRESSAVG: 2352200 27.8694 -4.73002 -3.32955 -4.73005 -30.7493 83.7803 -3.32964 83.7803 16.621 GPRESSAVG: 2352200 27.9879 -6.5986 -1.74958 -5.78702 -30.7798 83.363 -4.52564 85.2443 16.0682 TIMING: 2352200 CPU: 7508.19, 0.00317695/step Wall: 7508.19, 0.00317695/step, 2.33665 hours remaining, 233.546875 MB of memory in use. ENERGY: 2352200 3954.6879 20486.5043 14513.1084 262.9825 -203873.6076 2922.3300 0.0000 0.0000 51906.8311 -109827.1633 298.3093 -161733.9944 -109466.1926 298.4591 199.7865 229.8482 761627.3218 4.5803 4.4255 LDB: ============= START OF LOAD BALANCING ============== 7520.61 LDB: ============== END OF LOAD BALANCING =============== 7520.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7520.61 LDB: ============= START OF LOAD BALANCING ============== 7520.93 LDB: Largest compute 7033 load 0.036259 is 18.6% of average load 0.195344 LDB: Average compute 0.004418 is 2.3% of average load 0.195344 LDB: TIME 7520.93 LOAD: AVG 0.195344 MAX 0.215826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.402 MB LDB: TIME 7520.93 LOAD: AVG 0.195344 MAX 0.215826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.473 MB LDB: TIME 7520.93 LOAD: AVG 0.195344 MAX 0.215826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.473 MB LDB: ============== END OF LOAD BALANCING =============== 7520.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7520.94 PRESSURE: 2352400 -108.217 -119.817 27.0632 -119.817 -184.632 -98.7398 27.0628 -98.7405 193.731 GPRESSURE: 2352400 -57.095 -149.894 109.308 -65.6743 -166.99 -107.382 134.473 -19.9808 192.822 PRESSAVG: 2352400 26.6918 -10.0965 6.0951 -10.0964 -37.5495 25.3528 6.09508 25.3528 -3.70907 GPRESSAVG: 2352400 26.3927 -11.7792 6.74378 -9.47215 -37.1919 24.772 4.09618 24.0396 -3.72256 TIMING: 2352400 CPU: 7508.83, 0.00322878/step Wall: 7508.83, 0.00322879/step, 2.37459 hours remaining, 233.871094 MB of memory in use. ENERGY: 2352400 3995.3558 20563.7651 14456.0967 239.4705 -203381.4769 2670.0318 0.0000 0.0000 51919.0875 -109537.6695 298.3797 -161456.7570 -109188.2797 298.6865 -33.0393 -10.4208 762378.8698 -4.8556 -4.8406 PRESSURE: 2352600 -255.586 -152.771 115.37 -152.771 311.404 -164.018 115.37 -164.018 101.347 GPRESSURE: 2352600 -226.575 -113.147 130.618 -38.537 244.158 -128.199 116.338 -165.549 224.972 PRESSAVG: 2352600 39.3185 -42.396 30.4407 -42.3961 -51.948 21.0092 30.4408 21.0091 8.49831 GPRESSAVG: 2352600 40.2068 -39.9517 29.1882 -40.6005 -53.2757 21.5421 32.0873 25.1183 8.73243 TIMING: 2352600 CPU: 7509.47, 0.00316479/step Wall: 7509.47, 0.00316479/step, 2.32735 hours remaining, 234.074219 MB of memory in use. ENERGY: 2352600 4005.8197 20552.4899 14479.1794 263.3813 -203658.0987 2771.5463 0.0000 0.0000 52018.0341 -109567.6480 298.9484 -161585.6821 -109204.2087 299.3280 52.3884 80.8518 760648.7267 -1.3771 -1.4455 PRESSURE: 2352800 -16.6751 -80.0806 -9.9485 -80.081 -45.4803 -17.7832 -9.94816 -17.7825 76.0162 GPRESSURE: 2352800 124.678 -82.0287 20.8235 -99.3684 -73.1714 -39.1874 -81.0626 -22.986 44.7486 PRESSAVG: 2352800 47.08 -37.4492 37.7172 -37.4492 -48.3247 17.2204 37.7172 17.2205 -14.6449 GPRESSAVG: 2352800 46.3485 -36.8983 38.9582 -37.9653 -47.492 16.3367 36.7618 15.2181 -14.7992 TIMING: 2352800 CPU: 7510.09, 0.00313242/step Wall: 7510.09, 0.00313242/step, 2.30337 hours remaining, 234.074219 MB of memory in use. ENERGY: 2352800 4028.0929 20608.6567 14535.5666 247.8320 -203622.1033 2696.4736 0.0000 0.0000 51932.0435 -109573.4379 298.4542 -161505.4814 -109213.3693 299.4262 4.6203 32.0852 758304.8109 -5.2966 -5.3142 PRESSURE: 2353000 226.973 -140.74 9.41561 -140.74 -165.34 -80.6833 9.41467 -80.6834 303.619 GPRESSURE: 2353000 394.806 -139.455 13.6792 -100.869 -243.512 -134.142 18.0328 -126.19 298.157 PRESSAVG: 2353000 53.2062 -91.6365 38.0741 -91.6366 -79.747 -23.5297 38.0741 -23.5298 -4.21952 GPRESSAVG: 2353000 53.3703 -91.2348 36.8595 -92.8468 -79.6141 -23.318 37.9993 -24.2803 -4.41966 TIMING: 2353000 CPU: 7510.72, 0.00313156/step Wall: 7510.72, 0.00313156/step, 2.30257 hours remaining, 234.074219 MB of memory in use. ENERGY: 2353000 3883.5148 20434.6754 14442.6003 245.2988 -203553.4743 2571.4164 0.0000 0.0000 52495.2476 -109480.7211 301.6909 -161975.9687 -109104.5038 299.4687 121.7509 149.8171 758981.6583 -10.2534 -10.2211 PRESSURE: 2353200 -182.209 -54.29 109.06 -54.2897 -49.6952 16.175 109.06 16.1754 -267.343 GPRESSURE: 2353200 -48.7737 -24.333 53.7676 -82.807 -83.591 -74.2533 40.2583 -31.0163 -286.778 PRESSAVG: 2353200 11.3825 -37.9018 21.9823 -37.9018 -5.18248 -32.8806 21.9823 -32.8806 -9.45741 GPRESSAVG: 2353200 10.1896 -39.1951 21.6648 -36.4511 -5.13112 -31.8964 23.9398 -33.0192 -8.81229 TIMING: 2353200 CPU: 7511.34, 0.00313225/step Wall: 7511.34, 0.00313225/step, 2.3029 hours remaining, 234.074219 MB of memory in use. ENERGY: 2353200 4089.3233 20453.6892 14555.1058 246.7078 -203531.7994 2710.2296 0.0000 0.0000 52274.2638 -109202.4798 300.4209 -161476.7436 -108846.5150 300.2017 -166.4155 -139.7142 758164.4235 -1.0858 -1.2513 PRESSURE: 2353400 -394.67 196.464 -72.533 196.465 -164.241 -51.3688 -72.5324 -51.3692 88.8528 GPRESSURE: 2353400 -266.396 255.471 -7.24754 93.1271 -73.4299 -69.5006 -160.237 -43.2787 -30.8131 PRESSAVG: 2353400 18.4826 -50.2384 -9.153 -50.2384 -31.541 13.2681 -9.15299 13.2681 6.21754 GPRESSAVG: 2353400 20.0442 -48.1677 -9.69164 -52.7847 -30.9831 14.0019 -10.5139 11.3021 5.13506 TIMING: 2353400 CPU: 7511.97, 0.00314862/step Wall: 7511.97, 0.00314862/step, 2.31476 hours remaining, 234.074219 MB of memory in use. ENERGY: 2353400 3994.0471 20633.6138 14504.9997 239.0153 -202929.6158 2498.7161 0.0000 0.0000 52009.8812 -109049.3426 298.9015 -161059.2237 -108687.0556 300.5239 -156.6861 -123.5462 761371.3018 -2.2803 -1.9346 PRESSURE: 2353600 303.678 -122.675 -106.196 -122.675 -166.37 49.7718 -106.196 49.7703 401.19 GPRESSURE: 2353600 350.222 -166.126 -126.809 25.9966 -179.427 -7.35728 -118.516 79.729 421.157 PRESSAVG: 2353600 33.7027 -19.5972 -41.0971 -19.5972 -45.4268 -61.4869 -41.097 -61.4868 0.515945 GPRESSAVG: 2353600 32.1494 -21.203 -39.7995 -17.5329 -44.9707 -62.4326 -40.342 -57.9071 1.86881 TIMING: 2353600 CPU: 7512.6, 0.00314925/step Wall: 7512.6, 0.00314925/step, 2.31505 hours remaining, 234.074219 MB of memory in use. ENERGY: 2353600 3980.5367 20635.1374 14562.7867 254.4409 -203299.9858 2639.0751 0.0000 0.0000 52153.9064 -109074.1024 299.7292 -161228.0089 -108722.2900 300.2984 179.4992 197.3172 760643.6534 -3.7361 -3.6508 PRESSURE: 2353800 -270.545 37.0584 -90.0624 37.0587 -270.226 71.3518 -90.0627 71.3513 66.2136 GPRESSURE: 2353800 -263.687 -2.28058 -101.335 -87.7698 -186.45 35.9592 -117.603 9.56317 69.2113 PRESSAVG: 2353800 -9.36168 -0.343343 -41.2102 -0.343342 16.8347 26.0833 -41.2102 26.0833 15.5954 GPRESSAVG: 2353800 -8.55464 -1.03215 -42.4523 -1.54556 16.1789 25.6942 -41.9109 25.7305 15.3701 TIMING: 2353800 CPU: 7513.23, 0.0031462/step Wall: 7513.23, 0.0031462/step, 2.31263 hours remaining, 234.074219 MB of memory in use. ENERGY: 2353800 3943.4925 20473.7197 14529.3353 229.4848 -203295.5243 2674.9297 0.0000 0.0000 52345.0330 -109099.5293 300.8276 -161444.5623 -108732.7530 300.3298 -158.1858 -126.9753 761130.1511 7.6895 7.6648 PRESSURE: 2354000 53.7935 -414.379 -42.9157 -414.378 -197.848 -81.1082 -42.9159 -81.1085 -39.3913 GPRESSURE: 2354000 33.1131 -458.675 -76.5463 -342.926 -61.3967 -10.5038 8.20261 -111.766 -66.307 PRESSAVG: 2354000 -13.7893 -40.3257 -11.7031 -40.3257 44.0922 -0.678563 -11.703 -0.678655 5.26846 GPRESSAVG: 2354000 -13.3434 -40.9695 -9.40976 -39.153 43.5997 0.128998 -11.167 -2.30727 5.02452 TIMING: 2354000 CPU: 7513.86, 0.00312729/step Wall: 7513.86, 0.00312729/step, 2.29856 hours remaining, 234.074219 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: 2354000 4014.9520 20421.0451 14558.4518 259.8716 -203581.3536 2655.6578 0.0000 0.0000 52350.6060 -109320.7693 300.8597 -161671.3753 -108953.6230 300.2962 -61.1485 -31.5302 760106.0891 11.8571 11.7603 PRESSURE: 2354200 25.5437 76.6513 20.3675 76.6521 12.1532 -50.8606 20.3676 -50.8606 -346.521 GPRESSURE: 2354200 90.7601 90.5171 -76.0151 53.1447 3.67378 -9.59863 28.7175 -56.5336 -313.484 PRESSAVG: 2354200 12.6857 -22.1924 1.51515 -22.1924 6.63978 0.843693 1.51508 0.843654 -23.0451 GPRESSAVG: 2354200 13.1195 -20.623 1.48267 -22.7482 5.55305 -0.51778 1.00071 2.59916 -22.3279 TIMING: 2354200 CPU: 7514.48, 0.00312816/step Wall: 7514.48, 0.00312816/step, 2.29903 hours remaining, 234.074219 MB of memory in use. ENERGY: 2354200 4047.5227 20638.8960 14488.6750 235.9277 -202990.7198 2333.3650 0.0000 0.0000 51920.0393 -109326.2941 298.3852 -161246.3334 -108970.2103 299.7240 -102.9415 -73.0167 760553.9532 -1.2399 -1.2185 PRESSURE: 2354400 55.3053 -60.1469 13.4222 -60.1479 -188.243 48.1881 13.4218 48.1883 -177.761 GPRESSURE: 2354400 114.7 -59.4234 -22.8457 -153.484 -68.161 60.6487 -37.8425 136.475 -274.098 PRESSAVG: 2354400 26.2151 -22.5796 -31.2274 -22.5796 -67.8945 56.1564 -31.2273 56.1564 9.30109 GPRESSAVG: 2354400 25.5667 -21.6055 -32.6356 -21.235 -66.287 57.4021 -30.414 55.3776 8.59582 TIMING: 2354400 CPU: 7515.11, 0.00314525/step Wall: 7515.11, 0.00314525/step, 2.31141 hours remaining, 234.074219 MB of memory in use. ENERGY: 2354400 4060.7296 20390.0294 14466.6505 239.7016 -203565.2536 2691.0933 0.0000 0.0000 52185.1585 -109531.8907 299.9088 -161717.0492 -109160.3602 299.0806 -103.5665 -75.8530 762630.3311 -10.7928 -10.7082 PRESSURE: 2354600 -513.67 -86.3727 -8.12942 -86.3731 -364.874 -3.79011 -8.12973 -3.79122 -427.14 GPRESSURE: 2354600 -472.993 -186.15 -18.1062 -95.2726 -338.378 -27.4357 29.9099 13.8974 -438.321 PRESSAVG: 2354600 13.3473 -46.1327 28.5341 -46.1327 -20.4551 12.1149 28.534 12.1149 -0.855471 GPRESSAVG: 2354600 13.3544 -46.2732 28.6341 -47.8912 -20.6372 11.2045 28.2764 12.2571 -1.10689 TIMING: 2354600 CPU: 7515.74, 0.00314698/step Wall: 7515.74, 0.00314698/step, 2.3125 hours remaining, 234.074219 MB of memory in use. ENERGY: 2354600 4035.6114 20556.4751 14560.0303 250.1603 -202952.1859 2033.5533 0.0000 0.0000 52111.0377 -109405.3178 299.4828 -161516.3555 -109031.6986 299.2554 -435.2280 -416.5640 763569.8869 -2.6544 -2.7966 PRESSURE: 2354800 115.191 -110.066 258.145 -110.066 144.967 73.471 258.146 73.471 -53.9462 GPRESSURE: 2354800 177.644 -163.399 264.069 -29.7263 132.324 44.2416 306.125 -122.484 -38.4071 PRESSAVG: 2354800 32.2824 -52.6699 41.2337 -52.6699 -30.0777 -0.327139 41.2337 -0.32723 5.05764 GPRESSAVG: 2354800 32.456 -54.7902 41.4891 -53.3471 -30.3514 0.607242 40.7183 -1.62669 5.38854 TIMING: 2354800 CPU: 7516.37, 0.0031362/step Wall: 7516.37, 0.0031362/step, 2.30441 hours remaining, 234.074219 MB of memory in use. ENERGY: 2354800 3952.2123 20607.6715 14494.3537 275.2088 -203784.4885 2841.1357 0.0000 0.0000 52347.0085 -109266.8979 300.8390 -161613.9064 -108891.9517 299.7064 68.7374 90.5205 760766.7325 2.4208 2.4977 PRESSURE: 2355000 -139.295 -81.1382 45.765 -81.1382 79.8687 47.9235 45.7648 47.9231 -270.615 GPRESSURE: 2355000 -97.3187 -154.438 -12.1523 -89.718 101.136 99.0393 118.635 33.3861 -238.878 PRESSAVG: 2355000 105.034 10.4346 57.6086 10.4345 -65.4348 19.1047 57.6085 19.1047 13.1244 GPRESSAVG: 2355000 105.133 9.70337 57.5168 10.7976 -65.4942 18.1479 58.6737 20.6087 13.0689 TIMING: 2355000 CPU: 7517, 0.00314178/step Wall: 7517, 0.00314178/step, 2.30834 hours remaining, 234.074219 MB of memory in use. ENERGY: 2355000 3958.4587 20611.6867 14535.2707 243.0084 -203318.5971 2568.5821 0.0000 0.0000 52323.2125 -109078.3779 300.7022 -161401.5905 -108720.6730 300.4996 -110.0138 -78.3536 760107.8311 17.5747 17.5692 PRESSURE: 2355200 -25.8169 14.0873 -77.6165 14.0873 -4.5221 101.485 -77.6167 101.485 -106.876 GPRESSURE: 2355200 -59.1843 26.1671 -32.3868 83.2657 44.7108 155.926 -132.174 96.7303 -32.1795 PRESSAVG: 2355200 32.1635 -43.8847 -14.1666 -43.8847 -32.1665 25.3392 -14.1666 25.3392 -19.8572 GPRESSAVG: 2355200 31.392 -40.4369 -11.6839 -43.733 -31.6192 25.2768 -16.208 25.4525 -19.5789 TIMING: 2355200 CPU: 7517.63, 0.0031435/step Wall: 7517.63, 0.0031435/step, 2.30942 hours remaining, 234.074219 MB of memory in use. ENERGY: 2355200 4018.0054 20520.1905 14450.0888 237.4372 -203292.6874 2668.0938 0.0000 0.0000 52291.4175 -109107.4543 300.5195 -161398.8718 -108737.5345 300.4737 -45.7383 -15.5510 761746.5175 -6.6201 -6.6020 PRESSURE: 2355400 199.938 -29.5545 -78.6227 -29.5548 -29.2867 -165.831 -78.623 -165.831 -75.3907 GPRESSURE: 2355400 369.073 -88.0831 -46.483 -19.5074 -11.8977 -147.257 -90.1411 -122.89 -185.882 PRESSAVG: 2355400 44.4756 -60.5876 10.3261 -60.5875 -13.0407 58.8799 10.3261 58.8799 16.4741 GPRESSAVG: 2355400 45.6414 -62.7918 8.69899 -59.7976 -12.8666 58.6779 10.4332 59.1403 15.7822 TIMING: 2355400 CPU: 7518.26, 0.00314108/step Wall: 7518.26, 0.00314108/step, 2.30747 hours remaining, 234.074219 MB of memory in use. ENERGY: 2355400 3964.0960 20609.3080 14520.1842 240.5755 -203754.7748 2920.0088 0.0000 0.0000 52299.7879 -109200.8144 300.5676 -161500.6023 -108837.1514 299.9655 31.7536 57.0976 760801.5743 15.9696 16.1857 PRESSURE: 2355600 101.396 -9.99254 86.7081 -9.99254 -415.029 72.9901 86.7084 72.9912 555.858 GPRESSURE: 2355600 158.542 2.66384 54.8637 -60.0101 -390.072 87.7721 97.0158 236.514 541.682 PRESSAVG: 2355600 51.8558 -60.9723 -1.44101 -60.9723 -60.8644 51.1926 -1.44102 51.1924 -1.91705 GPRESSAVG: 2355600 52.2821 -59.4079 -2.06327 -61.9129 -61.9302 49.6939 -0.806709 52.746 -1.46022 TIMING: 2355600 CPU: 7518.88, 0.00312875/step Wall: 7518.88, 0.00312875/step, 2.29824 hours remaining, 234.074219 MB of memory in use. ENERGY: 2355600 4020.2836 20675.9256 14446.7406 247.0708 -203595.3108 2748.9624 0.0000 0.0000 52140.0603 -109316.2673 299.6496 -161456.3276 -108963.6433 300.1021 80.7418 103.3838 760704.0764 -3.6419 -3.7028 PRESSURE: 2355800 34.281 -57.8437 -39.6325 -57.8431 160.017 -70.8715 -39.6339 -70.8707 60.6817 GPRESSURE: 2355800 63.3632 -80.37 108.928 -18.637 161.297 -0.645692 -133.945 65.8334 109.107 PRESSAVG: 2355800 30.1741 -84.3642 4.69202 -84.3641 -25.0106 34.2847 4.69199 34.2847 19.5566 GPRESSAVG: 2355800 29.0822 -85.9504 3.39186 -83.5251 -24.7693 35.8108 6.15899 34.2585 20.2971 TIMING: 2355800 CPU: 7519.51, 0.00314027/step Wall: 7519.51, 0.00314027/step, 2.30653 hours remaining, 234.074219 MB of memory in use. ENERGY: 2355800 3980.6641 20415.9137 14530.1808 239.8334 -203676.2609 2804.9248 0.0000 0.0000 52282.4086 -109422.3355 300.4677 -161704.7441 -109057.0257 299.9892 84.9934 111.2558 760865.4411 8.2401 8.2033 PRESSURE: 2356000 -159.866 -232.613 -205.561 -232.614 -102.672 -31.3411 -205.56 -31.3401 93.4077 GPRESSURE: 2356000 -77.4365 -158.146 -245.899 -219.28 -78.9945 -21.4222 -153.607 9.38923 75.9201 PRESSAVG: 2356000 58.2177 -45.1158 -25.8865 -45.1159 -14.1843 -19.7465 -25.8865 -19.7465 0.0691857 GPRESSAVG: 2356000 58.6405 -42.2981 -24.5686 -45.9183 -13.2979 -19.7916 -26.1016 -19.9042 -0.642738 TIMING: 2356000 CPU: 7520.13, 0.00312138/step Wall: 7520.13, 0.00312138/step, 2.29248 hours remaining, 234.074219 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: 2356000 3977.3370 20524.6075 14436.7942 227.5245 -203575.9038 2691.3654 0.0000 0.0000 52235.9624 -109482.3127 300.2008 -161718.2751 -109110.0833 299.5730 -56.3765 -26.8370 760716.4821 14.7009 14.9000 PRESSURE: 2356200 -65.5791 -133.451 -202.345 -133.451 160.649 -7.61284 -202.344 -7.61333 17.2436 GPRESSURE: 2356200 -65.3412 -135.93 -138.319 -184.722 241.591 -17.5659 2.59727 176.31 49.041 PRESSAVG: 2356200 -1.83883 -44.16 -57.7126 -44.1601 -62.8922 -21.7952 -57.7126 -21.7951 -5.32319 GPRESSAVG: 2356200 -0.903853 -47.4812 -57.9505 -42.4151 -63.6166 -22.9888 -57.1656 -22.3758 -5.72174 TIMING: 2356200 CPU: 7520.76, 0.00312367/step Wall: 7520.76, 0.00312367/step, 2.29399 hours remaining, 234.074219 MB of memory in use. ENERGY: 2356200 4004.4441 20591.2496 14500.7642 241.6302 -203597.3620 2877.0787 0.0000 0.0000 51980.1297 -109402.0655 298.7305 -161382.1952 -109042.3318 298.9392 37.4378 75.0969 761327.5352 -23.3514 -23.4141 LDB: ============= START OF LOAD BALANCING ============== 7533.18 LDB: ============== END OF LOAD BALANCING =============== 7533.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7533.18 LDB: ============= START OF LOAD BALANCING ============== 7533.49 LDB: Largest compute 7033 load 0.033958 is 17.4% of average load 0.195508 LDB: Average compute 0.004430 is 2.3% of average load 0.195508 LDB: TIME 7533.5 LOAD: AVG 0.195508 MAX 0.213118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.883 MB LDB: TIME 7533.5 LOAD: AVG 0.195508 MAX 0.213118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.887 MB LDB: TIME 7533.5 LOAD: AVG 0.195508 MAX 0.213118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.887 MB LDB: ============== END OF LOAD BALANCING =============== 7533.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7533.51 PRESSURE: 2356400 381.502 110.731 184.149 110.732 288.459 32.6408 184.149 32.6397 131.572 GPRESSURE: 2356400 471.198 141.962 266.458 54.0912 282.971 96.8903 105.227 37.4587 128.759 PRESSAVG: 2356400 5.12561 -17.9659 23.0766 -17.9659 -8.24069 -13.4929 23.0766 -13.4929 -24.6759 GPRESSAVG: 2356400 5.09134 -16.1103 22.5994 -20.8568 -8.755 -13.1922 21.4496 -14.816 -23.9872 TIMING: 2356400 CPU: 7521.4, 0.00320358/step Wall: 7521.4, 0.00320358/step, 2.3525 hours remaining, 234.703125 MB of memory in use. ENERGY: 2356400 3959.0680 20447.6117 14534.9641 247.5128 -203554.2992 2935.2802 0.0000 0.0000 52229.4432 -109200.4193 300.1633 -161429.8624 -108830.2722 299.4996 267.1780 294.3092 761705.2673 -9.2636 -9.2170 PRESSURE: 2356600 302.38 -234.953 13.8889 -234.954 -118.344 104.162 13.8884 104.163 566.706 GPRESSURE: 2356600 357.087 -241.383 -25.264 -304.043 -83.299 -45.7431 59.7524 46.8665 566.185 PRESSAVG: 2356600 47.2405 -30.9516 2.36687 -30.9516 -50.2242 -35.8295 2.36689 -35.8295 6.17111 GPRESSAVG: 2356600 46.2291 -32.9165 2.33845 -27.6844 -48.9651 -35.31 1.67356 -34.2172 5.97313 TIMING: 2356600 CPU: 7522.03, 0.00316084/step Wall: 7522.03, 0.00316084/step, 2.32094 hours remaining, 234.906250 MB of memory in use. ENERGY: 2356600 3966.3448 20495.2686 14549.0852 256.3239 -203520.9881 2930.4667 0.0000 0.0000 52197.9111 -109125.5878 299.9821 -161323.4989 -108768.6423 299.9390 250.2473 279.9907 761048.8509 1.0625 1.0790 PRESSURE: 2356800 -319.996 -47.8942 188.788 -47.8952 289.237 12.0871 188.788 12.0871 649.524 GPRESSURE: 2356800 -279.26 -34.0719 155.373 -59.6348 344.326 -59.1347 229.277 191.303 657.619 PRESSAVG: 2356800 70.347 4.19591 -9.75319 4.19586 -66.6791 -15.8081 -9.75317 -15.808 10.9445 GPRESSAVG: 2356800 71.3333 5.59735 -8.94464 2.14257 -66.0707 -16.6584 -9.71459 -16.1153 9.76739 TIMING: 2356800 CPU: 7522.67, 0.00317121/step Wall: 7522.67, 0.00317121/step, 2.32837 hours remaining, 234.976562 MB of memory in use. ENERGY: 2356800 3909.9658 20586.7572 14404.4869 245.5550 -203110.5010 2526.5166 0.0000 0.0000 52126.5002 -109310.7194 299.5717 -161437.2196 -108950.4962 299.4294 206.2551 240.8953 758343.4485 4.8708 5.0100 PRESSURE: 2357000 86.5108 -182.074 94.0412 -182.074 -253.231 115.359 94.0415 115.358 66.5816 GPRESSURE: 2357000 196.681 -79.7372 -19.9087 -150.855 -239.118 138.667 109.203 -40.7287 9.75946 PRESSAVG: 2357000 5.7744 31.8573 -8.13022 31.8573 -3.02379 -26.6018 -8.13024 -26.6017 4.76203 GPRESSAVG: 2357000 6.93726 31.5956 -9.13736 34.1462 -4.66375 -25.7968 -7.09753 -26.5723 4.70531 TIMING: 2357000 CPU: 7523.3, 0.00315686/step Wall: 7523.3, 0.00315686/step, 2.31766 hours remaining, 234.976562 MB of memory in use. ENERGY: 2357000 3942.8246 20661.4016 14465.0652 257.3479 -203416.7179 2467.2491 0.0000 0.0000 52128.9101 -109493.9193 299.5856 -161622.8294 -109132.6303 299.3031 -33.3795 -10.8924 758256.6561 2.5042 2.3263 PRESSURE: 2357200 262.202 -66.1278 45.5944 -66.1281 -97.8462 114.802 45.5936 114.801 -160.607 GPRESSURE: 2357200 262.118 -86.9685 10.0575 -135.719 42.9652 127.017 34.3568 -8.99227 -231.016 PRESSAVG: 2357200 74.0942 -33.5493 -21.2555 -33.5493 -31.2256 -27.2881 -21.2555 -27.288 33.5664 GPRESSAVG: 2357200 73.4615 -35.1549 -18.3635 -38.1013 -30.6848 -25.74 -21.942 -29.3197 33.5768 TIMING: 2357200 CPU: 7523.93, 0.00315534/step Wall: 7523.93, 0.00315534/step, 2.31637 hours remaining, 234.976562 MB of memory in use. ENERGY: 2357200 3909.2205 20614.9354 14530.1153 247.8941 -203187.2794 2305.7206 0.0000 0.0000 51935.3614 -109644.0321 298.4732 -161579.3935 -109281.0670 299.1481 1.2496 24.6890 758130.2220 25.4783 25.4512 PRESSURE: 2357400 -24.247 -154.941 32.9039 -154.942 -9.81104 -89.946 32.9044 -89.9466 -57.8637 GPRESSURE: 2357400 -17.7766 -80.3359 -35.5038 -137.061 0.993607 5.95476 23.2725 23.0403 22.9639 PRESSAVG: 2357400 -5.34635 -56.5323 -76.2647 -56.5323 21.9834 43.085 -76.2646 43.0849 -10.0689 GPRESSAVG: 2357400 -5.33297 -53.6621 -78.4427 -54.9371 21.9756 41.8015 -74.4312 46.2257 -10.3509 TIMING: 2357400 CPU: 7524.56, 0.00315276/step Wall: 7524.56, 0.00315276/step, 2.3143 hours remaining, 234.976562 MB of memory in use. ENERGY: 2357400 4025.9759 20682.7742 14418.1630 245.3142 -203399.4937 2518.6767 0.0000 0.0000 51834.7656 -109673.8241 297.8951 -161508.5897 -109314.9971 298.8289 -30.6406 2.0603 758943.7982 2.1894 2.0972 PRESSURE: 2357600 0.0411725 -78.6809 16.9043 -78.6811 -92.0085 41.2574 16.9041 41.2578 -56.08 GPRESSURE: 2357600 33.7047 -218.284 -2.93695 -40.9745 0.10459 -10.1391 41.4052 -6.48042 -59.5422 PRESSAVG: 2357600 -33.3419 -44.36 -51.6996 -44.3599 10.7824 36.1908 -51.6997 36.1908 -0.0507524 GPRESSAVG: 2357600 -32.7251 -45.716 -51.6398 -45.0882 10.3501 36.4138 -54.1408 34.8675 0.0518732 TIMING: 2357600 CPU: 7525.19, 0.00316245/step Wall: 7525.19, 0.00316245/step, 2.32124 hours remaining, 235.046875 MB of memory in use. ENERGY: 2357600 4075.7300 20405.8589 14446.7740 251.7160 -203559.4148 2672.6377 0.0000 0.0000 51986.0395 -109720.6587 298.7645 -161706.6982 -109376.4314 298.8551 -49.3491 -8.5776 759925.7958 -7.5368 -7.4410 PRESSURE: 2357800 322.753 -271.635 -105.583 -271.635 -337.93 -41.134 -105.583 -41.1344 -72.8583 GPRESSURE: 2357800 297.856 -211.344 -92.4687 -258.914 -208.646 0.23651 -70.6382 -145.732 -101.63 PRESSAVG: 2357800 60.3633 -15.9155 -40.6843 -15.9155 -84.5783 2.03216 -40.6843 2.03219 -13.125 GPRESSAVG: 2357800 59.4955 -13.8541 -40.3664 -16.321 -83.7414 2.76569 -37.4655 0.670871 -13.261 TIMING: 2357800 CPU: 7525.82, 0.00315273/step Wall: 7525.82, 0.00315273/step, 2.31393 hours remaining, 235.046875 MB of memory in use. ENERGY: 2357800 3969.3377 20510.0088 14459.2992 247.6207 -203271.6273 2472.2890 0.0000 0.0000 51965.0931 -109647.9787 298.6441 -161613.0718 -109271.9170 298.9334 -29.3453 -4.1400 761723.7724 -12.4467 -12.5023 PRESSURE: 2358000 -27.1935 -107.307 -179.232 -107.307 -279.139 71.2531 -179.233 71.2525 -213.011 GPRESSURE: 2358000 64.2693 -92.671 -232.881 -16.5514 -241.811 4.58142 -143.423 -22.1033 -247.017 PRESSAVG: 2358000 82.2092 17.4745 -51.7906 17.4745 -74.5421 9.57771 -51.7906 9.57771 -1.98077 GPRESSAVG: 2358000 83.6255 16.4382 -53.8987 19.2701 -75.0684 8.16052 -53.8206 8.58603 -2.43022 TIMING: 2358000 CPU: 7526.45, 0.00314552/step Wall: 7526.45, 0.00314552/step, 2.30846 hours remaining, 235.046875 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: 2358000 3972.6043 20613.7416 14468.9902 241.8981 -203674.6732 2692.2965 0.0000 0.0000 51912.7044 -109772.4381 298.3430 -161685.1425 -109405.5814 299.0481 -173.1148 -141.5196 760999.3007 1.8955 2.0423 PRESSURE: 2358200 1.963 -236.731 -10.9119 -236.732 -272.992 -67.3189 -10.9115 -67.3189 -272.851 GPRESSURE: 2358200 87.1398 -206.051 -26.7307 -100.459 -200.944 -119.204 -12.5799 6.76071 -316.312 PRESSAVG: 2358200 88.2899 -24.8578 -60.689 -24.8578 -128.393 -21.1563 -60.6891 -21.1563 -4.41463 GPRESSAVG: 2358200 88.0952 -26.0786 -60.6278 -22.5259 -128.056 -20.6438 -57.3161 -18.1428 -4.30487 TIMING: 2358200 CPU: 7527.08, 0.00314808/step Wall: 7527.08, 0.00314808/step, 2.31016 hours remaining, 235.046875 MB of memory in use. ENERGY: 2358200 4009.7068 20371.7702 14495.3600 261.2609 -203843.7925 3103.5820 0.0000 0.0000 52006.4113 -109595.7013 298.8816 -161602.1126 -109229.4161 298.7069 -181.2933 -143.3720 761750.0591 -14.8394 -14.7551 PRESSURE: 2358400 -36.4065 46.1069 158.146 46.107 -487.769 116.386 158.146 116.386 44.9706 GPRESSURE: 2358400 -3.60097 33.3935 122.457 1.25948 -410.19 57.9159 145.287 134.213 43.1276 PRESSAVG: 2358400 43.6729 -24.3194 1.41183 -24.3193 -50.0535 17.4848 1.41175 17.4849 5.85128 GPRESSAVG: 2358400 43.5068 -24.119 1.38982 -26.3868 -50.3849 18.704 0.262884 16.0049 6.00348 TIMING: 2358400 CPU: 7527.71, 0.00313596/step Wall: 7527.71, 0.00313596/step, 2.3011 hours remaining, 235.046875 MB of memory in use. ENERGY: 2358400 3983.7154 20626.5889 14359.5161 230.8027 -202990.6783 2439.3494 0.0000 0.0000 51839.6871 -109511.0187 297.9234 -161350.7058 -109154.5878 299.1490 -159.7350 -123.5543 763252.1298 -0.1764 -0.2916 PRESSURE: 2358600 -55.5189 -39.9278 280.458 -39.928 221.347 -28.4774 280.458 -28.4774 -215.222 GPRESSURE: 2358600 22.7898 79.5768 223.48 -83.4012 223.983 -76.4054 299.132 33.4387 -225.238 PRESSAVG: 2358600 53.8815 -11.3048 -25.9951 -11.3047 -31.0914 -25.2507 -25.9951 -25.2508 -12.3532 GPRESSAVG: 2358600 54.1693 -12.3101 -25.3841 -11.046 -32.0639 -26.2371 -26.3971 -26.3026 -11.5187 TIMING: 2358600 CPU: 7528.34, 0.00315311/step Wall: 7528.34, 0.00315311/step, 2.3135 hours remaining, 235.046875 MB of memory in use. ENERGY: 2358600 3996.4084 20518.8000 14475.4611 230.0207 -203821.3495 2899.8320 0.0000 0.0000 52007.6124 -109693.2150 298.8885 -161700.8274 -109322.8358 298.8537 -16.4647 7.1783 760576.8037 3.4790 3.5289 PRESSURE: 2358800 -44.5535 34.4598 -46.9098 34.4607 -45.4361 -310.11 -46.9097 -310.111 -177.142 GPRESSURE: 2358800 26.2673 115.707 -95.9398 115.963 -66.7244 -227.247 -75.677 -310.104 -138.931 PRESSAVG: 2358800 39.9192 -7.57132 9.87109 -7.57123 -38.5671 18.0997 9.87102 18.0997 -6.18707 GPRESSAVG: 2358800 39.3993 -5.03517 11.1118 -6.89353 -38.4353 18.9715 9.29389 17.983 -5.88384 TIMING: 2358800 CPU: 7528.97, 0.00314872/step Wall: 7528.97, 0.00314872/step, 2.31011 hours remaining, 235.046875 MB of memory in use. ENERGY: 2358800 4036.9185 20524.5628 14364.1410 250.9715 -203669.0406 2631.9081 0.0000 0.0000 52038.0366 -109822.5021 299.0633 -161860.5387 -109455.7578 298.4898 -89.0438 -59.7961 760634.3554 -1.6117 -1.6399 PRESSURE: 2359000 120.93 3.3182 -10.0597 3.31801 147.116 37.8216 -10.0596 37.8203 -9.85727 GPRESSURE: 2359000 197.672 92.2724 1.07782 -4.13675 168.74 71.2424 -9.0129 -178.254 -5.81213 PRESSAVG: 2359000 -15.0313 -66.4822 37.1426 -66.4822 2.02972 -31.442 37.1427 -31.442 -16.1749 GPRESSAVG: 2359000 -13.892 -70.1718 37.6487 -65.8086 0.630733 -32.6317 35.2629 -29.0294 -16.2472 TIMING: 2359000 CPU: 7529.6, 0.00315905/step Wall: 7529.6, 0.00315905/step, 2.31751 hours remaining, 235.046875 MB of memory in use. ENERGY: 2359000 4019.1825 20362.8005 14413.3781 240.1802 -203269.4522 2527.6544 0.0000 0.0000 52163.5383 -109542.7181 299.7846 -161706.2565 -109179.2499 299.1347 86.0630 120.2000 760770.4559 -9.7255 -9.8361 PRESSURE: 2359200 80.5662 34.4779 57.8238 34.4781 253.848 100.457 57.8243 100.457 -0.874186 GPRESSURE: 2359200 110.499 -58.9964 39.3636 51.105 285.884 73.7164 52.7545 237.569 37.6863 PRESSAVG: 2359200 5.63371 -9.87333 -11.5454 -9.87329 -10.2734 27.4156 -11.5454 27.4157 8.91054 GPRESSAVG: 2359200 4.1829 -8.81103 -12.5907 -12.191 -9.60435 27.8017 -7.77901 26.2786 9.3284 TIMING: 2359200 CPU: 7530.23, 0.00315865/step Wall: 7530.23, 0.00315864/step, 2.31704 hours remaining, 235.046875 MB of memory in use. ENERGY: 2359200 4031.1288 20535.1539 14429.0908 266.3698 -203087.9182 2425.7881 0.0000 0.0000 51916.8186 -109483.5681 298.3667 -161400.3867 -109125.8357 298.8719 111.1801 144.6897 760685.5647 1.4236 1.3023 PRESSURE: 2359400 304.302 -266.669 46.5866 -266.669 -49.0059 41.6946 46.5868 41.6937 203.397 GPRESSURE: 2359400 231.343 -306.24 115.493 -223.894 123.494 77.2518 69.5424 134.366 187.987 PRESSAVG: 2359400 19.9158 -8.05232 -18.5177 -8.05228 -36.1126 -12.1434 -18.5177 -12.1433 7.26741 GPRESSAVG: 2359400 21.1983 -7.72215 -19.6772 -7.94498 -35.6039 -11.4024 -21.4113 -11.4281 6.01765 TIMING: 2359400 CPU: 7530.86, 0.00315513/step Wall: 7530.86, 0.00315513/step, 2.31429 hours remaining, 235.046875 MB of memory in use. ENERGY: 2359400 3969.8651 20600.5425 14447.0228 243.4748 -203708.6377 2619.6364 0.0000 0.0000 52278.9744 -109549.1218 300.4480 -161828.0961 -109186.2213 299.3413 152.8979 180.9414 760221.7559 -2.9765 -2.7960 PRESSURE: 2359600 103.776 -245.567 370.885 -245.567 119.772 -191.11 370.885 -191.109 27.5344 GPRESSURE: 2359600 133.356 -134.949 324.013 -265.411 60.0235 -188.32 426.344 -128.889 131.626 PRESSAVG: 2359600 8.65223 -47.9124 -12.6747 -47.9124 -41.2621 52.1333 -12.6747 52.1333 0.90165 GPRESSAVG: 2359600 6.05095 -47.5655 -11.7468 -46.2895 -41.0332 50.5256 -12.9387 51.3815 2.47751 TIMING: 2359600 CPU: 7531.49, 0.00314676/step Wall: 7531.49, 0.00314676/step, 2.30797 hours remaining, 235.046875 MB of memory in use. ENERGY: 2359600 3950.8713 20565.9366 14478.1467 252.5499 -203287.0982 2447.5332 0.0000 0.0000 52031.3671 -109560.6933 299.0250 -161592.0604 -109200.2574 299.3999 83.6943 108.3354 762861.9406 -10.5694 -10.8349 PRESSURE: 2359800 -227.444 18.022 232.133 18.0233 -304.493 -17.8779 232.134 -17.8777 -293.732 GPRESSURE: 2359800 -111.74 -100.929 264.618 93.2634 -313.058 -33.4113 174.768 32.9908 -337.995 PRESSAVG: 2359800 53.0336 -11.9188 18.6611 -11.9188 -32.2753 -25.9511 18.6611 -25.9511 13.8264 GPRESSAVG: 2359800 55.5421 -12.1123 18.4768 -13.5463 -32.3606 -25.006 20.6482 -27.597 10.9247 TIMING: 2359800 CPU: 7532.12, 0.00315009/step Wall: 7532.12, 0.00315009/step, 2.31024 hours remaining, 235.046875 MB of memory in use. ENERGY: 2359800 4118.8894 20539.2885 14402.2169 244.2140 -203705.0387 2761.8855 0.0000 0.0000 52133.8880 -109504.6565 299.6142 -161638.5445 -109147.2796 299.8363 -275.2226 -254.2644 762701.1173 11.5282 11.3687 PRESSURE: 2360000 -134.535 -5.24642 -147.114 -5.24666 -436.511 -131.504 -147.115 -131.504 -418.352 GPRESSURE: 2360000 -103.547 78.2517 -76.7842 -33.5686 -394.647 -214.03 -111.233 -204.244 -412.398 PRESSAVG: 2360000 15.7498 -48.1047 8.4324 -48.1048 -9.12829 21.6668 8.43241 21.6668 36.636 GPRESSAVG: 2360000 15.2869 -48.5044 8.36084 -47.8412 -10.2806 20.5317 5.75041 22.8479 38.2463 TIMING: 2360000 CPU: 7532.75, 0.00315269/step Wall: 7532.75, 0.00315269/step, 2.31197 hours remaining, 235.046875 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: 2360000 4060.2259 20601.6764 14382.0613 250.2200 -203311.7407 2270.3649 0.0000 0.0000 52360.9614 -109386.2308 300.9192 -161747.1922 -109020.6789 300.0340 -329.7995 -303.5307 759883.4362 14.4192 14.4175 PRESSURE: 2360200 -41.5982 -23.184 -159.255 -23.1843 -484.626 -55.4857 -159.255 -55.4852 -90.2529 GPRESSURE: 2360200 15.3509 117.055 -189.379 18.1433 -403.403 -49.6084 -85.6183 -28.8741 -140.437 PRESSAVG: 2360200 13.9468 -5.05599 3.49874 -5.056 -6.18542 -19.8598 3.49876 -19.8598 -15.6237 GPRESSAVG: 2360200 13.5765 -5.0855 4.56899 -3.02733 -5.38879 -18.2477 5.99081 -21.3136 -16.4234 TIMING: 2360200 CPU: 7533.39, 0.00316338/step Wall: 7533.39, 0.00316338/step, 2.31964 hours remaining, 235.046875 MB of memory in use. ENERGY: 2360200 4028.0702 20632.9706 14447.1023 248.4160 -203239.3945 2314.8037 0.0000 0.0000 52154.0793 -109413.9525 299.7302 -161568.0318 -109052.8909 299.7367 -205.4923 -176.1631 761379.0222 -2.6208 -2.7452 LDB: ============= START OF LOAD BALANCING ============== 7545.81 LDB: ============== END OF LOAD BALANCING =============== 7545.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7545.81 LDB: ============= START OF LOAD BALANCING ============== 7546.13 LDB: Largest compute 7033 load 0.035860 is 18.3% of average load 0.195477 LDB: Average compute 0.004398 is 2.2% of average load 0.195477 LDB: TIME 7546.13 LOAD: AVG 0.195477 MAX 0.212266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.062 MB LDB: TIME 7546.13 LOAD: AVG 0.195477 MAX 0.212266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 7546.13 LOAD: AVG 0.195477 MAX 0.212266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 7546.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7546.14 PRESSURE: 2360400 -109.662 310.866 -3.5684 310.865 -283.261 -14.0051 -3.56873 -14.0058 3.30158 GPRESSURE: 2360400 -5.7131 307.272 -71.1655 194.367 -287.512 -13.5083 40.6051 -85.3665 2.09928 PRESSAVG: 2360400 49.6836 7.60774 1.03256 7.60772 -21.1109 -16.9572 1.03248 -16.9572 -1.06328 GPRESSAVG: 2360400 50.1771 7.40119 1.70473 3.84628 -22.7078 -19.2141 -0.302223 -14.7974 -0.0507844 TIMING: 2360400 CPU: 7534.03, 0.00323532/step Wall: 7534.03, 0.00323532/step, 2.37221 hours remaining, 233.367188 MB of memory in use. ENERGY: 2360400 3942.6418 20582.0333 14459.1987 240.1484 -203181.5471 2223.9363 0.0000 0.0000 51995.7605 -109737.8281 298.8204 -161733.5885 -109385.7180 299.4155 -129.8736 -97.0418 759488.8902 9.1698 9.1395 PRESSURE: 2360600 -97.0877 -122.058 42.5503 -122.059 -110.099 -135.337 42.5516 -135.337 -201.722 GPRESSURE: 2360600 -96.0359 -43.2921 -17.8609 32.2658 -167.769 -77.2988 66.2574 -194.252 -79.9646 PRESSAVG: 2360600 21.2186 -32.1132 47.4376 -32.1132 -28.9003 3.46093 47.4376 3.46099 -19.6412 GPRESSAVG: 2360600 19.5954 -32.8222 46.5849 -29.5775 -27.5264 4.48044 47.8305 2.25969 -19.8366 TIMING: 2360600 CPU: 7534.66, 0.00316043/step Wall: 7534.66, 0.00316043/step, 2.31712 hours remaining, 233.894531 MB of memory in use. ENERGY: 2360600 4017.3988 20485.6935 14491.8647 231.4485 -203829.7329 2785.5778 0.0000 0.0000 52013.5574 -109804.1922 298.9226 -161817.7496 -109451.7552 299.0606 -136.3030 -114.5897 760636.6001 -9.1076 -9.2559 PRESSURE: 2360800 115.49 -182.281 -267.801 -182.281 -439.103 39.6638 -267.801 39.6649 -142.741 GPRESSURE: 2360800 195.827 -159.186 -177.822 -61.5333 -376.052 53.6031 -239.67 5.81264 -189.354 PRESSAVG: 2360800 48.7992 9.13908 29.2995 9.13908 -15.5218 -5.30142 29.2995 -5.30142 -17.7986 GPRESSAVG: 2360800 49.4327 10.9171 31.0084 10.4631 -15.7276 -4.03266 28.5256 -7.26437 -18.518 TIMING: 2360800 CPU: 7535.29, 0.00314871/step Wall: 7535.29, 0.00314871/step, 2.30835 hours remaining, 233.894531 MB of memory in use. ENERGY: 2360800 4054.3532 20512.5383 14543.4880 235.9084 -203471.0993 2460.8830 0.0000 0.0000 51912.6496 -109751.2789 298.3427 -161663.9285 -109386.7073 298.9894 -155.4516 -123.1929 761929.3318 5.1596 5.0624 PRESSURE: 2361000 -45.6196 2.73766 122.909 2.73778 -284.236 150.886 122.909 150.885 -164.441 GPRESSURE: 2361000 -49.6587 -73.469 165.766 -68.4511 -160.278 119.721 93.52 117.915 -177.032 PRESSAVG: 2361000 18.5551 -29.5568 36.7645 -29.5568 -5.69976 -2.27749 36.7645 -2.27753 18.4206 GPRESSAVG: 2361000 18.6618 -29.4754 36.708 -32.1846 -5.69015 -5.75722 36.396 0.78522 18.4522 TIMING: 2361000 CPU: 7535.93, 0.0031735/step Wall: 7535.93, 0.0031735/step, 2.32635 hours remaining, 233.894531 MB of memory in use. ENERGY: 2361000 4024.2707 20558.8846 14540.7278 210.5435 -203188.6357 2320.4119 0.0000 0.0000 51953.5337 -109580.2634 298.5777 -161533.7971 -109223.8856 299.2726 -164.7654 -128.9897 760325.2546 10.4253 10.4746 PRESSURE: 2361200 152.368 -77.0935 52.3855 -77.093 55.6306 -104.142 52.3854 -104.142 -25.018 GPRESSURE: 2361200 114.073 -65.55 -23.3987 -16.3636 118.956 -157.498 7.72482 -84.9755 38.3564 PRESSAVG: 2361200 14.2468 -13.4361 1.68624 -13.4361 -40.5245 -33.463 1.6862 -33.463 2.72615 GPRESSAVG: 2361200 14.7554 -13.1788 0.129884 -12.557 -41.1029 -30.5925 3.57213 -36.1251 2.8256 TIMING: 2361200 CPU: 7536.56, 0.00315519/step Wall: 7536.56, 0.00315519/step, 2.31275 hours remaining, 233.894531 MB of memory in use. ENERGY: 2361200 3999.9340 20575.8063 14497.1163 242.2537 -203706.2738 2693.5541 0.0000 0.0000 52156.8857 -109540.7237 299.7463 -161697.6094 -109181.3050 299.1040 60.9936 90.4617 760763.7056 -7.8505 -7.8406 PRESSURE: 2361400 104.839 -117.225 18.3563 -117.225 -26.4188 167.915 18.3567 167.916 -30.3926 GPRESSURE: 2361400 101.692 -14.5484 115.898 -94.1811 -12.1468 275.445 -79.3117 132.569 43.2067 PRESSAVG: 2361400 20.1721 -65.392 17.653 -65.3919 -0.990783 -39.4634 17.653 -39.4634 8.56369 GPRESSAVG: 2361400 18.3374 -67.7632 17.0976 -64.0154 0.0222317 -41.2643 17.878 -35.1653 9.48921 TIMING: 2361400 CPU: 7537.19, 0.00313698/step Wall: 7537.19, 0.00313698/step, 2.29923 hours remaining, 233.894531 MB of memory in use. ENERGY: 2361400 4051.6836 20542.5771 14518.6361 231.4202 -203663.2784 2687.8601 0.0000 0.0000 52019.1923 -109611.9091 298.9550 -161631.1013 -109246.1207 298.9623 16.0091 44.2507 760366.5773 9.2483 9.2829 PRESSURE: 2361600 -137.499 60.8214 92.8377 60.8211 -17.9089 -77.5834 92.8373 -77.5839 -5.31062 GPRESSURE: 2361600 -65.0243 117.798 82.5777 104.339 25.4566 -73.696 158.06 -117.302 -24.9261 PRESSAVG: 2361600 -22.2847 -5.30353 26.6184 -5.30354 18.9202 11.2648 26.6184 11.2647 -6.3498 GPRESSAVG: 2361600 -20.974 -4.38382 27.0392 -5.66883 18.6418 12.1966 25.2867 8.2658 -7.72195 TIMING: 2361600 CPU: 7537.82, 0.00315845/step Wall: 7537.82, 0.00315845/step, 2.31479 hours remaining, 233.894531 MB of memory in use. ENERGY: 2361600 3976.4096 20417.0175 14472.3602 269.3759 -203918.4184 2774.8320 0.0000 0.0000 52137.1232 -109871.2999 299.6328 -162008.4231 -109511.2479 299.1398 -53.5729 -21.4979 759483.0422 -3.2381 -3.3514 PRESSURE: 2361800 -279.654 49.6121 120.885 49.6133 -350.153 164.972 120.885 164.97 -3.51715 GPRESSURE: 2361800 -255.929 89.5062 66.9182 183.525 -354.669 83.4436 66.3608 153.549 65.213 PRESSAVG: 2361800 25.0346 -11.6384 51.8072 -11.6384 -58.6409 6.4215 51.8071 6.42155 7.19848 GPRESSAVG: 2361800 25.8731 -10.8136 52.7865 -13.7967 -59.0943 5.51624 50.0017 7.88027 6.97698 TIMING: 2361800 CPU: 7538.45, 0.00315881/step Wall: 7538.45, 0.00315881/step, 2.31488 hours remaining, 233.894531 MB of memory in use. ENERGY: 2361800 4026.0865 20416.8802 14485.8413 258.6464 -202662.9963 1961.2991 0.0000 0.0000 51687.9989 -109826.2439 297.0516 -161514.2428 -109465.2471 298.2627 -211.1080 -181.7950 761323.7655 -8.8026 -8.7481 PRESSURE: 2362000 329.223 -106.523 -66.7945 -106.523 -0.497058 -20.6497 -66.7944 -20.6508 101.254 GPRESSURE: 2362000 326.713 -61.8695 -154.976 -36.4572 92.142 -54.6181 -33.6118 -58.9791 96.9013 PRESSAVG: 2362000 -27.9858 -57.6048 37.8118 -57.6049 -7.52699 -17.5961 37.8118 -17.5962 -3.11238 GPRESSAVG: 2362000 -27.1949 -55.9179 36.2013 -57.3503 -7.68874 -17.4872 38.1096 -18.1111 -3.78096 TIMING: 2362000 CPU: 7539.08, 0.00315239/step Wall: 7539.08, 0.00315239/step, 2.31 hours remaining, 233.894531 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: 2362000 3988.4932 20544.9236 14488.8608 233.7345 -203804.2163 2757.4082 0.0000 0.0000 51737.8973 -110052.8987 297.3384 -161790.7959 -109686.3471 298.6864 143.3268 171.9187 759541.3189 -12.8751 -12.8882 PRESSURE: 2362200 33.7668 -51.7626 -46.8408 -51.7624 -210.941 -165.076 -46.8404 -165.076 -89.683 GPRESSURE: 2362200 -18.1363 -128.808 111.439 -74.579 -60.1249 -167.508 -31.9986 -84.6392 -104.373 PRESSAVG: 2362200 17.7348 -23.2059 15.4513 -23.2059 -9.00574 2.3884 15.4513 2.38834 -2.29263 GPRESSAVG: 2362200 15.6996 -26.9401 18.4135 -21.1191 -8.64408 3.80806 17.5117 1.73262 -0.794681 TIMING: 2362200 CPU: 7539.71, 0.00316776/step Wall: 7539.71, 0.00316776/step, 2.32109 hours remaining, 233.894531 MB of memory in use. ENERGY: 2362200 4078.4693 20359.9136 14529.2254 228.6939 -203610.0734 2558.9387 0.0000 0.0000 51790.2224 -110064.6100 297.6391 -161854.8324 -109695.8638 298.2890 -88.9523 -60.8779 760321.4434 2.1455 2.0870 PRESSURE: 2362400 -177.875 -195.24 -42.0729 -195.239 -282.732 158.776 -42.0728 158.776 -202.719 GPRESSURE: 2362400 -143.491 -27.7147 44.2546 -190.447 -204.407 236.983 -112.627 20.4886 -214.663 PRESSAVG: 2362400 38.6187 -25.6516 -0.14378 -25.6516 -22.966 21.5354 -0.143797 21.5354 -2.44332 GPRESSAVG: 2362400 39.1598 -23.98 -2.61956 -26.0415 -23.5404 19.7658 0.630365 20.8664 -2.34828 TIMING: 2362400 CPU: 7540.36, 0.00320863/step Wall: 7540.36, 0.00320863/step, 2.35085 hours remaining, 233.894531 MB of memory in use. ENERGY: 2362400 3983.6732 20491.3628 14490.6833 226.2296 -203783.2797 2674.4850 0.0000 0.0000 51803.3255 -110113.5203 297.7144 -161916.8458 -109753.0885 297.8881 -221.1088 -187.5204 760789.9059 4.4031 4.4237 PRESSURE: 2362600 145.59 105.636 108.807 105.636 128.476 285.218 108.806 285.218 3.64276 GPRESSURE: 2362600 166.75 37.189 132.171 125.991 212.774 262.741 44.4985 335.667 -13.4079 PRESSAVG: 2362600 42.4286 -42.191 3.83479 -42.1909 -65.9311 -13.5258 3.83482 -13.5258 -8.65758 GPRESSAVG: 2362600 41.8528 -42.4305 3.45698 -43.1666 -65.4023 -15.6138 2.56391 -12.8813 -8.64073 TIMING: 2362600 CPU: 7540.99, 0.00319151/step Wall: 7540.99, 0.00319151/step, 2.33813 hours remaining, 233.894531 MB of memory in use. ENERGY: 2362600 4003.7957 20433.1739 14481.2319 255.0464 -203896.0496 2837.1153 0.0000 0.0000 51709.8242 -110175.8621 297.1771 -161885.6863 -109803.3152 298.0212 92.5694 122.0388 760192.0424 -10.7200 -10.7301 PRESSURE: 2362800 23.5586 -157.632 150.886 -157.633 -42.5201 -181.37 150.886 -181.37 -48.1803 GPRESSURE: 2362800 45.671 -132.892 135.387 -19.7375 -31.2784 -72.7214 87.8649 -140.587 7.87644 PRESSAVG: 2362800 -6.48709 -42.8945 -26.3728 -42.8945 3.96612 56.0884 -26.3728 56.0883 -8.80906 GPRESSAVG: 2362800 -4.75295 -43.2619 -27.1484 -41.5355 1.99698 59.8982 -27.8757 57.1761 -8.52063 TIMING: 2362800 CPU: 7541.63, 0.00318299/step Wall: 7541.63, 0.00318299/step, 2.33172 hours remaining, 233.894531 MB of memory in use. ENERGY: 2362800 3941.8892 20627.8868 14465.6802 264.1241 -203850.0051 2694.4209 0.0000 0.0000 51877.0855 -109978.9185 298.1383 -161856.0040 -109622.0595 297.9710 -22.3806 7.4230 759660.1015 -3.7767 -3.7589 PRESSURE: 2363000 23.1247 26.0451 45.7538 26.0453 -46.7619 -119.802 45.7536 -119.802 -140.838 GPRESSURE: 2363000 -16.8224 -56.8431 47.3262 33.2159 70.1495 -123.959 172.576 -178.483 -136.071 PRESSAVG: 2363000 63.6011 -44.8294 58.7604 -44.8294 -37.7349 -23.1948 58.7604 -23.1947 17.7525 GPRESSAVG: 2363000 62.6116 -44.4064 59.6878 -45.87 -35.4003 -25.6846 59.3396 -25.2705 16.3234 TIMING: 2363000 CPU: 7542.27, 0.00318045/step Wall: 7542.27, 0.00318045/step, 2.32968 hours remaining, 233.894531 MB of memory in use. ENERGY: 2363000 3914.7132 20448.4790 14455.4896 251.4774 -203607.8995 2609.2580 0.0000 0.0000 52069.3760 -109859.1062 299.2434 -161928.4823 -109494.0560 298.5716 -54.8251 -27.5812 760527.4669 14.5395 14.5116 PRESSURE: 2363200 201.061 2.60841 -107.319 2.60834 -105.579 -27.3619 -107.319 -27.3616 195.543 GPRESSURE: 2363200 246.595 87.0654 -48.3624 29.8412 -1.79273 -95.9769 -69.5196 131.733 128.036 PRESSAVG: 2363200 -16.1636 -32.2699 1.66092 -32.2699 21.7659 -3.7776 1.66087 -3.77771 -9.66444 GPRESSAVG: 2363200 -16.8376 -29.9979 1.46169 -32.2381 21.4011 -2.56369 4.60426 -0.83973 -8.62985 TIMING: 2363200 CPU: 7542.9, 0.00318509/step Wall: 7542.9, 0.00318509/step, 2.3329 hours remaining, 233.894531 MB of memory in use. ENERGY: 2363200 3995.7775 20398.6378 14554.6421 250.0061 -203472.0533 2532.7541 0.0000 0.0000 51782.5698 -109957.6658 297.5951 -161740.2357 -109609.6732 298.1412 97.0086 124.2796 760216.1013 -1.3540 -1.3554 PRESSURE: 2363400 123.872 -128.291 -64.6936 -128.291 224.461 26.8906 -64.6939 26.8905 35.0666 GPRESSURE: 2363400 153.518 -15.5104 -118.517 -114.875 296.221 60.9741 -80.6306 -29.4011 22.1 PRESSAVG: 2363400 27.8788 -56.3353 -36.129 -56.3353 -33.7845 -24.7488 -36.129 -24.7487 6.17488 GPRESSAVG: 2363400 28.4998 -56.8294 -36.246 -56.8961 -34.0749 -24.0562 -39.0458 -26.0011 6.01398 TIMING: 2363400 CPU: 7543.54, 0.00319793/step Wall: 7543.54, 0.00319793/step, 2.34213 hours remaining, 233.894531 MB of memory in use. ENERGY: 2363400 3921.8701 20581.4004 14533.3506 226.8907 -203710.3581 2599.4434 0.0000 0.0000 51816.6724 -110030.7305 297.7911 -161847.4029 -109679.5061 297.7852 127.7997 157.2799 759365.9754 0.0897 0.1463 PRESSURE: 2363600 -159.587 -62.661 -169.655 -62.6606 255.577 -132.642 -169.655 -132.642 -529.251 GPRESSURE: 2363600 -86.2503 -125.8 -168.416 -18.5128 255.27 -202.169 -42.9586 -105.495 -521.902 PRESSAVG: 2363600 5.03032 -51.7955 -2.57456 -51.7955 5.4237 -0.766345 -2.57463 -0.766447 25.5372 GPRESSAVG: 2363600 5.45659 -52.8656 -1.49795 -52.5236 5.52095 -1.46324 1.07322 -3.15644 24.9692 TIMING: 2363600 CPU: 7544.18, 0.00318062/step Wall: 7544.18, 0.00318062/step, 2.32927 hours remaining, 233.894531 MB of memory in use. ENERGY: 2363600 3916.6743 20308.9665 14458.6891 245.5995 -203507.8395 2483.0689 0.0000 0.0000 51980.3712 -110114.4701 298.7319 -162094.8413 -109743.5806 297.9829 -144.4203 -117.6276 759833.6460 11.9971 11.9822 PRESSURE: 2363800 211.328 29.3949 108.077 29.3948 -112.593 -234.022 108.077 -234.021 54.614 GPRESSURE: 2363800 219.352 139.006 243.788 -5.65139 -75.1861 -298.195 -16.2536 -66.0797 113.655 PRESSAVG: 2363800 -22.9127 -27.783 -7.73311 -27.783 24.2308 -20.4556 -7.73313 -20.4556 -13.8722 GPRESSAVG: 2363800 -23.0207 -27.7072 -6.45195 -25.3765 24.282 -21.5164 -10.5315 -16.9397 -13.7777 TIMING: 2363800 CPU: 7544.81, 0.00316736/step Wall: 7544.81, 0.00316736/step, 2.31938 hours remaining, 233.894531 MB of memory in use. ENERGY: 2363800 3968.6018 20350.0511 14453.3653 250.7088 -203988.3662 2936.5342 0.0000 0.0000 51798.7597 -110230.3453 297.6882 -162029.1050 -109875.7376 297.7959 51.1164 85.9403 759375.3937 -4.1847 -4.1721 PRESSURE: 2364000 55.8133 150.049 -116.811 150.049 363.428 -235.817 -116.81 -235.818 260.823 GPRESSURE: 2364000 40.0204 2.89763 -171.228 182.478 463.098 -198.594 -53.374 -183.448 261.656 PRESSAVG: 2364000 17.0852 -1.40672 -7.99322 -1.40677 0.88358 16.2597 -7.99321 16.2597 -15.7083 GPRESSAVG: 2364000 17.0782 -1.74384 -8.65877 -1.97844 1.00663 15.6299 -8.64669 14.5446 -16.1417 TIMING: 2364000 CPU: 7545.45, 0.00317529/step Wall: 7545.45, 0.00317529/step, 2.32502 hours remaining, 233.894531 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: 2364000 3901.8705 20441.3392 14469.1873 235.0040 -203307.3271 2609.6430 0.0000 0.0000 51689.9541 -109960.3290 297.0629 -161650.2831 -109611.2264 297.4938 226.6879 254.9246 760911.0644 0.7535 0.6477 PRESSURE: 2364200 -97.0064 -134.081 -34.958 -134.081 -131.353 154.92 -34.9575 154.922 -226.74 GPRESSURE: 2364200 -87.834 -148.63 -71.5831 -103.191 -47.2405 91.9758 -102.858 177.626 -237.576 PRESSAVG: 2364200 18.4026 -49.3831 -37.0174 -49.3831 -22.0723 -0.645439 -37.0174 -0.645374 2.80583 GPRESSAVG: 2364200 17.5172 -49.1735 -37.4852 -49.4989 -21.3078 0.861043 -36.4506 -0.756039 2.93558 TIMING: 2364200 CPU: 7546.08, 0.00318113/step Wall: 7546.08, 0.00318113/step, 2.32912 hours remaining, 233.894531 MB of memory in use. ENERGY: 2364200 4003.2819 20465.3392 14472.5603 264.8403 -203194.9464 2376.4276 0.0000 0.0000 51802.4585 -109810.0386 297.7094 -161612.4971 -109463.2737 297.9654 -151.6996 -124.2168 761099.5714 -0.2880 -0.2850 LDB: ============= START OF LOAD BALANCING ============== 7558.51 LDB: ============== END OF LOAD BALANCING =============== 7558.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.51 LDB: ============= START OF LOAD BALANCING ============== 7558.83 LDB: Largest compute 7068 load 0.034491 is 17.7% of average load 0.195407 LDB: Average compute 0.004410 is 2.3% of average load 0.195407 LDB: TIME 7558.83 LOAD: AVG 0.195407 MAX 0.213382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 7558.83 LOAD: AVG 0.195407 MAX 0.213382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 7558.83 LOAD: AVG 0.195407 MAX 0.213382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 7558.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.84 PRESSURE: 2364400 62.7444 145.451 -131.665 145.451 -371.825 -197.86 -131.664 -197.859 -162.537 GPRESSURE: 2364400 97.8558 130.306 -174.433 24.9165 -369.179 -178.37 20.5364 -236.424 -103.749 PRESSAVG: 2364400 25.2274 -6.36189 -24.1977 -6.36189 -0.526467 53.0587 -24.1977 53.0586 10.0296 GPRESSAVG: 2364400 25.8275 -8.1563 -25.885 -7.62466 -1.6296 53.1322 -22.0302 51.3002 10.2346 TIMING: 2364400 CPU: 7546.73, 0.00324526/step Wall: 7546.73, 0.00324526/step, 2.37589 hours remaining, 232.792969 MB of memory in use. ENERGY: 2364400 4050.3372 20617.3443 14476.0392 248.7716 -203684.5211 2652.1841 0.0000 0.0000 51880.3028 -109759.5419 298.1568 -161639.8447 -109401.1573 298.5509 -157.2057 -125.0241 761180.3079 11.5769 11.4775 PRESSURE: 2364600 -148.359 39.8751 -82.8721 39.875 -120.896 -191.9 -82.8724 -191.9 524.31 GPRESSURE: 2364600 -36.0512 31.234 -73.761 84.7764 -46.0423 -238.744 -16.134 -120.868 434.767 PRESSAVG: 2364600 20.574 4.25554 7.83385 4.25549 10.2262 -4.00495 7.83386 -4.00502 -2.30729 GPRESSAVG: 2364600 21.5219 3.86966 8.36506 5.25928 10.2206 -4.66729 8.52422 -2.07871 -3.48917 TIMING: 2364600 CPU: 7547.37, 0.00316633/step Wall: 7547.37, 0.00316633/step, 2.31793 hours remaining, 232.792969 MB of memory in use. ENERGY: 2364600 3974.4650 20490.4286 14499.5678 233.1270 -203665.9760 2669.5830 0.0000 0.0000 51996.3160 -109802.4887 298.8235 -161798.8046 -109440.5748 298.7153 85.0180 117.5579 762101.1406 9.4977 9.4178 PRESSURE: 2364800 -212.29 79.4687 -83.8128 79.4684 -120.159 -70.417 -83.8133 -70.4167 -530.318 GPRESSURE: 2364800 -137.123 90.7954 -125.326 -116.343 -126.105 -52.2798 -196.364 -79.0617 -510.672 PRESSAVG: 2364800 -25.1609 14.3667 15.1008 14.3667 9.65481 -24.9204 15.1008 -24.9203 8.67272 GPRESSAVG: 2364800 -25.9506 16.2006 13.7386 12.5468 9.62451 -25.4316 13.2903 -22.0456 9.77617 TIMING: 2364800 CPU: 7548, 0.0031598/step Wall: 7548, 0.00315981/step, 2.31298 hours remaining, 232.792969 MB of memory in use. ENERGY: 2364800 4040.6079 20626.2762 14477.6387 234.4312 -203263.8845 2276.5564 0.0000 0.0000 52006.1948 -109602.1792 298.8803 -161608.3740 -109242.1410 299.2045 -287.5890 -257.9666 761355.2786 -2.2778 -2.1833 PRESSURE: 2365000 -249.306 44.1807 308.076 44.1807 354.339 171.084 308.076 171.084 116.163 GPRESSURE: 2365000 -208.367 14.07 261.552 -17.4063 423.477 121.41 241.331 193.044 80.1201 PRESSAVG: 2365000 -71.4655 -10.0413 -68.0334 -10.0414 57.6912 -2.15508 -68.0334 -2.15512 -4.61164 GPRESSAVG: 2365000 -70.4499 -8.8294 -65.667 -9.7891 57.981 -2.21989 -69.0414 -5.55972 -5.61527 TIMING: 2365000 CPU: 7548.63, 0.00316288/step Wall: 7548.63, 0.00316288/step, 2.31505 hours remaining, 232.792969 MB of memory in use. ENERGY: 2365000 3931.9550 20400.6296 14505.9803 253.8951 -203150.6987 2456.9757 0.0000 0.0000 51920.1581 -109681.1049 298.3859 -161601.2630 -109322.4836 298.9275 73.7321 98.4103 758819.7104 -6.1286 -6.0281 PRESSURE: 2365200 390.372 -36.9273 -56.4783 -36.9272 -161.743 -12.9952 -56.4785 -12.995 60.5114 GPRESSURE: 2365200 394.957 -86.2898 -89.7995 -39.2335 -99.7403 -3.18068 -53.7365 40.2318 76.342 PRESSAVG: 2365200 1.5119 15.846 13.4155 15.8459 -2.53242 12.2543 13.4154 12.2543 10.144 GPRESSAVG: 2365200 1.02483 14.4241 12.2811 19.0777 -2.74207 12.9732 11.14 13.5441 11.2204 TIMING: 2365200 CPU: 7549.27, 0.0031771/step Wall: 7549.27, 0.0031771/step, 2.32529 hours remaining, 232.792969 MB of memory in use. ENERGY: 2365200 4056.0765 20319.4531 14450.3730 228.8980 -203321.9226 2606.0892 0.0000 0.0000 51966.7349 -109694.2978 298.6535 -161661.0326 -109334.0877 298.8476 96.3800 123.8531 760727.6309 3.0412 3.1677 PRESSURE: 2365400 74.5695 -153.295 -105.329 -153.295 102.619 -62.2243 -105.328 -62.2236 133.682 GPRESSURE: 2365400 97.7357 -147.652 -142.584 -108.172 121.135 -114.554 -81.6474 -34.0986 190.675 PRESSAVG: 2365400 -17.7555 11.2316 -33.0688 11.2316 -18.3295 18.4096 -33.0689 18.4095 -4.74019 GPRESSAVG: 2365400 -18.7312 11.5376 -32.7604 9.00062 -17.4243 17.0853 -31.7431 17.6689 -4.7076 TIMING: 2365400 CPU: 7549.9, 0.00315329/step Wall: 7549.9, 0.00315329/step, 2.30768 hours remaining, 232.792969 MB of memory in use. ENERGY: 2365400 3905.9838 20514.0392 14497.9882 231.7289 -203444.4196 2541.6745 0.0000 0.0000 51921.6201 -109831.3849 298.3943 -161753.0050 -109476.1683 298.7595 103.6233 136.5153 760725.0183 -13.6084 -13.6210 PRESSURE: 2365600 -125.525 -76.4319 -149.134 -76.4332 -282.728 98.1725 -149.133 98.1728 183.346 GPRESSURE: 2365600 -119.472 27.7047 -137.773 -63.7911 -192.31 121.891 -210.062 153.62 179.766 PRESSAVG: 2365600 -22.7913 19.8719 37.9438 19.8718 -34.8663 -2.84035 37.9438 -2.84035 10.8249 GPRESSAVG: 2365600 -22.2682 19.9727 38.5089 21.2885 -35.8218 -2.59426 38.0236 -3.37177 10.7648 TIMING: 2365600 CPU: 7550.53, 0.00314877/step Wall: 7550.53, 0.00314877/step, 2.3042 hours remaining, 232.792969 MB of memory in use. ENERGY: 2365600 3961.6737 20570.2847 14366.3599 244.5752 -203501.4516 2539.1988 0.0000 0.0000 51950.5921 -109868.7671 298.5608 -161819.3592 -109513.5676 298.6619 -74.9690 -44.0054 760699.3483 -15.6109 -15.7751 PRESSURE: 2365800 -127.649 6.07156 289.485 6.07169 -426.719 82.047 289.485 82.0469 -28.0413 GPRESSURE: 2365800 -115.564 -53.1775 293.259 -4.21001 -353.172 132.764 271.225 129.249 -27.8903 PRESSAVG: 2365800 33.0794 -74.1746 -12.9207 -74.1747 -26.9779 11.3416 -12.9208 11.3415 10.3423 GPRESSAVG: 2365800 32.7832 -75.3158 -11.7085 -75.1994 -26.364 13.8555 -10.3818 11.896 9.79438 TIMING: 2365800 CPU: 7551.16, 0.0031797/step Wall: 7551.16, 0.0031797/step, 2.32666 hours remaining, 232.792969 MB of memory in use. ENERGY: 2365800 4056.8480 20417.2780 14570.2601 250.2069 -203767.9711 2723.2361 0.0000 0.0000 52023.3526 -109726.7895 298.9789 -161750.1420 -109359.8579 298.7532 -194.1363 -165.5421 760789.2882 5.4813 5.4045 PRESSURE: 2366000 -334.225 -8.38523 -104.542 -8.38435 -46.0899 204.187 -104.543 204.187 -397.084 GPRESSURE: 2366000 -241.896 -18.5972 -159.778 54.5351 -85.042 164.969 -22.9278 182.22 -375.255 PRESSAVG: 2366000 -22.6568 -26.2249 -1.96719 -26.2249 19.2926 15.1085 -1.96721 15.1085 -11.0046 GPRESSAVG: 2366000 -24.2783 -24.9327 -3.80195 -23.6757 19.4568 14.3863 -2.26545 14.0769 -9.87347 TIMING: 2366000 CPU: 7551.8, 0.00319055/step Wall: 7551.8, 0.00319055/step, 2.33442 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2366000 4008.8179 20669.8799 14483.3654 254.0559 -203433.5258 2487.8180 0.0000 0.0000 51754.0534 -109775.5352 297.4313 -161529.5886 -109435.3488 298.6963 -259.1329 -234.0644 761940.5492 -4.7896 -4.8983 PRESSURE: 2366200 337.623 57.2586 -63.4197 57.2594 0.259452 -330.779 -63.4192 -330.779 187.384 GPRESSURE: 2366200 432.512 158.872 -78.7753 67.9465 -40.8194 -312.33 -65.2841 -240.444 205.224 PRESSAVG: 2366200 -0.876198 -1.35338 -39.965 -1.35335 -18.6716 -18.3824 -39.9649 -18.3824 -10.8399 GPRESSAVG: 2366200 -0.496096 -1.73958 -39.536 -2.76515 -18.9567 -18.5479 -41.5692 -18.7901 -11.2558 TIMING: 2366200 CPU: 7552.43, 0.00315555/step Wall: 7552.43, 0.00315555/step, 2.30864 hours remaining, 232.792969 MB of memory in use. ENERGY: 2366200 3913.8307 20493.1613 14431.0253 233.7799 -203692.0327 2749.8535 0.0000 0.0000 52037.7237 -109832.6583 299.0615 -161870.3820 -109471.2264 298.6105 175.0889 198.9723 761271.5240 -10.1292 -10.2362 PRESSURE: 2366400 -428.676 255.589 205.997 255.59 -102.338 -14.1524 205.997 -14.1527 89.0577 GPRESSURE: 2366400 -378.27 271.7 96.7418 296.739 -45.0045 -101.89 68.2923 120.767 47.1932 PRESSAVG: 2366400 11.8363 -53.8313 2.33366 -53.8313 -25.7612 -3.31205 2.33364 -3.31203 -16.4852 GPRESSAVG: 2366400 11.4948 -53.648 1.70545 -55.1069 -25.1646 -2.08888 -0.344046 -3.16352 -16.9254 TIMING: 2366400 CPU: 7553.06, 0.00315294/step Wall: 7553.06, 0.00315294/step, 2.30655 hours remaining, 232.792969 MB of memory in use. ENERGY: 2366400 3934.6210 20515.8551 14432.9424 254.2904 -203497.2194 2775.4319 0.0000 0.0000 51706.8934 -109877.1854 297.1602 -161584.0787 -109524.6687 297.8232 -147.3186 -125.3605 764055.5445 -10.1367 -10.1984 PRESSURE: 2366600 22.6095 45.0676 39.1733 45.0677 112.193 242.337 39.1737 242.337 -120.106 GPRESSURE: 2366600 67.3905 -29.5112 110.371 58.2972 137.689 244.73 -54.9989 198.778 -114.155 PRESSAVG: 2366600 -7.70255 -58.2315 28.5745 -58.2315 5.62755 -7.79832 28.5745 -7.79835 7.62779 GPRESSAVG: 2366600 -7.46292 -58.2812 29.6013 -58.9872 4.71721 -8.90051 31.401 -9.01326 8.327 TIMING: 2366600 CPU: 7553.7, 0.0031693/step Wall: 7553.7, 0.0031693/step, 2.31834 hours remaining, 232.792969 MB of memory in use. ENERGY: 2366600 3967.8257 20643.9016 14371.2899 246.5812 -203958.2904 2949.9640 0.0000 0.0000 52028.7967 -109749.9312 299.0102 -161778.7279 -109389.6688 298.1621 4.8989 30.3082 762918.2478 1.8509 1.8604 PRESSURE: 2366800 -447.852 -33.8984 355.354 -33.8976 -173.958 -0.0238607 355.354 -0.0233895 -150.617 GPRESSURE: 2366800 -312.531 -72.533 321.626 22.6345 -208.611 41.1978 287.58 -80.4932 -180.892 PRESSAVG: 2366800 6.59375 -57.8023 78.2962 -57.8023 -13.9311 -8.19133 78.2962 -8.19139 -9.31356 GPRESSAVG: 2366800 7.13897 -58.8653 77.2189 -57.3179 -13.6942 -8.22796 77.4607 -7.17206 -9.95368 TIMING: 2366800 CPU: 7554.33, 0.00316956/step Wall: 7554.33, 0.00316956/step, 2.31836 hours remaining, 232.792969 MB of memory in use. ENERGY: 2366800 3923.5118 20494.4776 14423.4629 225.2908 -203706.7511 2793.1216 0.0000 0.0000 51946.6232 -109900.2634 298.5380 -161846.8866 -109545.2082 298.0234 -257.4758 -234.0111 763204.0727 -5.5503 -5.5030 PRESSURE: 2367000 94.2286 -129.223 64.5825 -129.224 -227.995 -204.583 64.5833 -204.582 -14.7593 GPRESSURE: 2367000 84.3055 -179.471 60.556 -16.0776 -189.344 -246.092 178.23 -168.961 30.3798 PRESSAVG: 2367000 69.5186 -56.344 42.9135 -56.344 -5.8081 -18.7369 42.9135 -18.7369 27.5937 GPRESSAVG: 2367000 68.7516 -56.8241 43.9753 -52.7423 -5.89674 -19.8158 44.465 -17.3534 27.7257 TIMING: 2367000 CPU: 7554.96, 0.00314818/step Wall: 7554.96, 0.00314818/step, 2.30254 hours remaining, 232.792969 MB of memory in use. ENERGY: 2367000 4006.9855 20428.5917 14401.1667 234.2152 -203332.1691 2485.4322 0.0000 0.0000 51869.9901 -109905.7877 298.0975 -161775.7777 -109538.8556 298.2997 -49.5086 -24.8863 762088.5200 30.4347 30.1935 PRESSURE: 2367200 7.7387 139.02 -148.955 139.02 49.2987 -77.4208 -148.954 -77.4211 -69.6484 GPRESSURE: 2367200 -25.6183 149.317 -135.147 230.912 132.336 -14.0181 -114.596 -159.577 -24.4817 PRESSAVG: 2367200 38.2098 -42.0958 -8.54994 -42.0958 3.06127 7.34393 -8.54992 7.34389 21.2385 GPRESSAVG: 2367200 37.5277 -40.6362 -7.86986 -44.5674 5.11872 7.19209 -8.95366 8.26518 20.6557 TIMING: 2367200 CPU: 7555.59, 0.00316768/step Wall: 7555.59, 0.00316768/step, 2.31663 hours remaining, 232.792969 MB of memory in use. ENERGY: 2367200 3945.1974 20469.4112 14514.8700 248.5725 -203871.5893 2715.1886 0.0000 0.0000 52228.4750 -109749.8746 300.1578 -161978.3496 -109379.5110 298.4456 -4.2037 27.4118 760026.3831 20.8365 21.1007 PRESSURE: 2367400 81.7257 -219.722 40.4724 -219.722 -19.8269 -123.66 40.4715 -123.66 -125.844 GPRESSURE: 2367400 146.832 -255.014 70.3155 -312.156 -11.8523 -164.865 96.5245 -130.972 -96.8331 PRESSAVG: 2367400 -21.0193 -6.88495 36.2388 -6.88489 27.2078 -23.9013 36.2388 -23.9013 -26.7841 GPRESSAVG: 2367400 -20.9247 -6.17125 35.6137 -9.16563 26.0286 -23.4592 36.5519 -25.4333 -25.9895 TIMING: 2367400 CPU: 7556.23, 0.00315893/step Wall: 7556.23, 0.00315893/step, 2.31006 hours remaining, 232.792969 MB of memory in use. ENERGY: 2367400 3933.2211 20341.5636 14402.7461 259.4191 -203543.3679 2688.6204 0.0000 0.0000 51940.9788 -109976.8188 298.5055 -161917.7976 -109611.0860 298.1002 -21.3151 12.7155 761114.1478 -6.8652 -6.9619 PRESSURE: 2367600 -0.443656 17.1312 -106.717 17.1307 71.7707 -156.455 -106.717 -156.455 153.934 GPRESSURE: 2367600 37.9919 -123.096 -188.919 24.9988 39.0786 -87.5168 -48.8878 -264.437 202.128 PRESSAVG: 2367600 15.8669 -37.5288 -40.2373 -37.5287 -29.9265 -46.2744 -40.2373 -46.2745 17.9944 GPRESSAVG: 2367600 16.1204 -38.0418 -40.3821 -35.6444 -29.8023 -46.6076 -38.133 -46.7578 17.3321 TIMING: 2367600 CPU: 7556.86, 0.00317142/step Wall: 7556.86, 0.00317142/step, 2.31901 hours remaining, 232.792969 MB of memory in use. ENERGY: 2367600 4025.6484 20414.3965 14459.7935 236.1238 -204178.0410 2948.0020 0.0000 0.0000 51830.6146 -110263.4622 297.8713 -162094.0768 -109913.6516 297.9541 75.0872 93.0661 759088.2086 1.3116 1.2167 PRESSURE: 2367800 339.39 -29.5115 -32.9272 -29.5121 -59.5944 -77.2056 -32.9263 -77.2056 312.55 GPRESSURE: 2367800 242.304 -115.827 -28.8103 -32.2323 24.2804 -142.386 -71.7636 -67.0308 411.955 PRESSAVG: 2367800 -59.3262 -50.9362 -29.2179 -50.9362 21.9223 5.05558 -29.218 5.05554 -0.972062 GPRESSAVG: 2367800 -59.7488 -52.184 -28.7941 -50.9721 22.0365 3.82779 -29.5364 4.73744 -0.890351 TIMING: 2367800 CPU: 7557.5, 0.00317898/step Wall: 7557.5, 0.00317898/step, 2.32437 hours remaining, 232.792969 MB of memory in use. ENERGY: 2367800 4034.4318 20325.6598 14502.5790 239.8075 -204404.6348 3181.0619 0.0000 0.0000 51837.9488 -110283.1460 297.9134 -162121.0947 -109931.2084 297.3223 197.4485 226.1796 760027.4444 -12.7920 -12.8676 PRESSURE: 2368000 59.6955 -65.626 -19.5271 -65.6253 -427.623 71.1962 -19.5276 71.1976 -87.24 GPRESSURE: 2368000 168.028 -192.031 6.29882 77.657 -389.286 103.219 -17.3709 -25.5762 -162.892 PRESSAVG: 2368000 15.5626 -13.7405 -11.3922 -13.7405 16.6854 -22.4697 -11.3922 -22.4696 -0.831628 GPRESSAVG: 2368000 16.1186 -11.8184 -11.7051 -15.0497 16.4437 -20.8498 -11.8128 -21.3241 -1.22274 TIMING: 2368000 CPU: 7558.13, 0.00316283/step Wall: 7558.13, 0.00316283/step, 2.31238 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2368000 4004.6105 20419.3851 14479.2679 246.4142 -203802.1425 2410.9262 0.0000 0.0000 51887.9371 -110353.6015 298.2007 -162241.5386 -109991.5045 297.9431 -151.7226 -128.0500 760482.7461 10.4721 10.4465 PRESSURE: 2368200 213.288 60.6425 35.2635 60.6427 -100.729 -140.867 35.2631 -140.867 190.45 GPRESSURE: 2368200 274.17 116.505 155.564 0.568556 -120.201 -101.207 59.8819 -130.553 229.851 PRESSAVG: 2368200 37.5238 20.7873 21.4212 20.7873 -26.2069 1.37103 21.4212 1.37101 -5.66967 GPRESSAVG: 2368200 37.1618 19.2062 22.2569 21.5594 -25.2388 1.2999 20.7945 1.98442 -6.02396 TIMING: 2368200 CPU: 7558.76, 0.00314482/step Wall: 7558.76, 0.00314482/step, 2.29904 hours remaining, 232.792969 MB of memory in use. ENERGY: 2368200 3923.2440 20365.0536 14468.1454 230.6234 -204054.6955 2969.3925 0.0000 0.0000 51757.8108 -110340.4259 297.4528 -162098.2366 -109978.1838 297.4218 101.0027 127.9401 760879.9344 1.8824 1.9663 LDB: ============= START OF LOAD BALANCING ============== 7571.18 LDB: ============== END OF LOAD BALANCING =============== 7571.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7571.18 LDB: ============= START OF LOAD BALANCING ============== 7571.5 LDB: Largest compute 7033 load 0.035902 is 18.4% of average load 0.195526 LDB: Average compute 0.004382 is 2.2% of average load 0.195526 LDB: TIME 7571.5 LOAD: AVG 0.195526 MAX 0.213909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 7571.5 LOAD: AVG 0.195526 MAX 0.213909 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.66 MB LDB: TIME 7571.5 LOAD: AVG 0.195526 MAX 0.213909 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.66 MB LDB: ============== END OF LOAD BALANCING =============== 7571.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7571.51 PRESSURE: 2368400 -263.634 243.092 -82.1809 243.092 -111.073 123.173 -82.1808 123.173 -467.124 GPRESSURE: 2368400 -250.716 170.483 -177.6 232.574 47.2229 121.818 5.53026 116.311 -541.792 PRESSAVG: 2368400 -64.6475 0.0695069 -51.7875 0.069441 25.732 27.7614 -51.7875 27.7614 -3.53829 GPRESSAVG: 2368400 -65.1231 0.540028 -53.1914 -0.929805 25.6674 28.2824 -51.3986 25.3666 -3.22229 TIMING: 2368400 CPU: 7559.4, 0.00321937/step Wall: 7559.4, 0.00321937/step, 2.35336 hours remaining, 233.875000 MB of memory in use. ENERGY: 2368400 3996.7757 20565.8789 14537.9982 246.4096 -204056.8071 2628.7212 0.0000 0.0000 51996.9935 -110084.0300 298.8274 -162081.0235 -109712.6067 298.0094 -280.6105 -248.4286 758164.7135 -14.1512 -14.2260 PRESSURE: 2368600 -52.7327 -252.259 1.85657 -252.259 -168.648 -69.7202 1.8565 -69.7194 90.4023 GPRESSURE: 2368600 -11.8199 -143.983 -20.7842 -246.862 -134.353 -129.995 25.3824 41.0922 120.16 PRESSAVG: 2368600 -22.3866 -7.75805 -39.071 -7.75802 70.0338 -34.8145 -39.071 -34.8145 -11.0683 GPRESSAVG: 2368600 -20.6888 -8.14679 -39.3349 -6.39019 69.5901 -35.1554 -39.8494 -32.8744 -12.221 TIMING: 2368600 CPU: 7560.03, 0.00315898/step Wall: 7560.03, 0.00315898/step, 2.30904 hours remaining, 234.078125 MB of memory in use. ENERGY: 2368600 3967.1303 20400.5417 14477.7105 263.2672 -203615.3394 2424.6236 0.0000 0.0000 52114.5699 -109967.4961 299.5031 -162082.0661 -109606.8033 298.9495 -43.6595 -8.6712 757954.0036 12.1930 12.2268 PRESSURE: 2368800 -417.353 -70.9333 -218.654 -70.9337 -101.497 154.504 -218.654 154.505 45.9874 GPRESSURE: 2368800 -408.915 -106.65 -206.931 43.8625 -62.85 46.294 -174.182 79.1968 91.4712 PRESSAVG: 2368800 2.52772 -36.9701 -27.0199 -36.9701 3.99566 -39.6379 -27.0199 -39.6379 4.13806 GPRESSAVG: 2368800 1.59511 -36.4612 -25.3793 -37.1873 3.34443 -40.2423 -29.1866 -40.5505 5.8319 TIMING: 2368800 CPU: 7560.67, 0.00316407/step Wall: 7560.67, 0.00316407/step, 2.31259 hours remaining, 234.078125 MB of memory in use. ENERGY: 2368800 4038.8905 20560.9472 14452.3779 253.4739 -203550.0895 2454.4887 0.0000 0.0000 52074.4429 -109715.4685 299.2725 -161789.9113 -109349.2660 298.5793 -157.6208 -126.7645 759938.0737 3.5538 3.5905 PRESSURE: 2369000 -323.097 -173.957 -150.645 -173.958 -625.101 -103.751 -150.645 -103.751 -147.846 GPRESSURE: 2369000 -287.355 -161.439 -207.862 34.7191 -544.738 -90.6165 -105.324 -176.882 -180.403 PRESSAVG: 2369000 26.1765 39.3322 27.3891 39.3322 -4.24414 -3.92897 27.3891 -3.92897 -9.21406 GPRESSAVG: 2369000 25.7996 41.8545 27.21 38.6588 -2.79421 -2.02071 28.2829 -2.65084 -9.8734 TIMING: 2369000 CPU: 7561.3, 0.00317125/step Wall: 7561.3, 0.00317125/step, 2.31766 hours remaining, 234.335938 MB of memory in use. ENERGY: 2369000 3985.6974 20549.6543 14416.0044 244.5159 -202966.6310 2211.8047 0.0000 0.0000 52004.3974 -109554.5569 298.8700 -161558.9543 -109190.5262 298.4930 -365.3479 -337.4984 761132.5904 4.2394 4.3773 PRESSURE: 2369200 -263.087 373.06 -1.71417 373.061 -346.293 -184.436 -1.71473 -184.436 -91.3747 GPRESSURE: 2369200 -151.218 275.097 37.1683 337.154 -339.429 -179.306 -45.311 -53.346 -124.844 PRESSAVG: 2369200 -1.55769 60.8878 -36.1039 60.8879 -32.3727 -18.4871 -36.104 -18.4871 2.33174 GPRESSAVG: 2369200 -1.48291 57.6755 -37.28 62.046 -31.8649 -18.5854 -37.0885 -19.9147 1.32562 TIMING: 2369200 CPU: 7561.94, 0.00319867/step Wall: 7561.94, 0.00319867/step, 2.33752 hours remaining, 234.406250 MB of memory in use. ENERGY: 2369200 4048.3669 20550.0248 14424.8806 241.8409 -203412.3020 2305.2726 0.0000 0.0000 52279.3904 -109562.5259 300.4504 -161841.9162 -109195.1139 299.2265 -233.5849 -205.1634 760100.3636 -10.5329 -10.6741 PRESSURE: 2369400 78.3731 -56.2865 17.4936 -56.2859 93.6726 181.884 17.4935 181.883 -339.842 GPRESSURE: 2369400 105.242 14.8525 10.0286 4.49676 76.5092 160.486 -24.1335 211.542 -266.272 PRESSAVG: 2369400 35.0269 69.4936 -56.1181 69.4937 -17.9254 -24.4384 -56.1181 -24.4384 13.4639 GPRESSAVG: 2369400 34.393 71.375 -55.6684 67.9647 -19.109 -26.0693 -52.6059 -25.4044 15.0929 TIMING: 2369400 CPU: 7562.58, 0.00318746/step Wall: 7562.58, 0.00318746/step, 2.32915 hours remaining, 234.406250 MB of memory in use. ENERGY: 2369400 3959.4886 20620.8477 14400.6307 248.8191 -203281.6596 2584.0939 0.0000 0.0000 51945.2804 -109522.4992 298.5302 -161467.7795 -109164.8475 299.4069 -55.9323 -28.1734 761505.2205 10.1885 10.1256 PRESSURE: 2369600 177.086 145.06 256.039 145.06 -113.507 -103.112 256.039 -103.112 -237.355 GPRESSURE: 2369600 235.47 115.121 227.349 95.5676 -40.7233 -84.152 189.537 -66.2609 -256.683 PRESSAVG: 2369600 23.0282 28.7789 -9.66655 28.7789 -66.8995 62.2633 -9.66648 62.2633 18.0259 GPRESSAVG: 2369600 23.3277 27.23 -11.006 29.1571 -65.7934 63.3555 -11.7217 62.9305 16.5775 TIMING: 2369600 CPU: 7563.21, 0.00315656/step Wall: 7563.21, 0.00315656/step, 2.30639 hours remaining, 234.406250 MB of memory in use. ENERGY: 2369600 4025.8166 20529.7760 14426.2248 247.7510 -203856.3600 2910.2572 0.0000 0.0000 52138.2199 -109578.3145 299.6391 -161716.5344 -109219.0713 299.0692 -57.9254 -20.6455 760758.1281 -8.6151 -8.6294 PRESSURE: 2369800 66.5984 -191.837 -188.759 -191.838 67.2229 31.5275 -188.759 31.5269 152.92 GPRESSURE: 2369800 145.968 -167.148 -166.734 -187.705 -10.7993 45.7928 -115.066 71.4346 221.525 PRESSAVG: 2369800 9.18726 -19.679 -17.7052 -19.679 -29.9369 41.4572 -17.7052 41.4573 8.22146 GPRESSAVG: 2369800 9.36167 -19.2266 -17.1657 -18.7622 -31.4334 39.2467 -17.6015 43.9785 9.4728 TIMING: 2369800 CPU: 7563.84, 0.00316106/step Wall: 7563.84, 0.00316106/step, 2.3095 hours remaining, 234.406250 MB of memory in use. ENERGY: 2369800 4039.9221 20573.8926 14535.4282 245.8406 -203469.6874 2590.8948 0.0000 0.0000 51830.6018 -109653.1072 297.8712 -161483.7091 -109295.6102 299.1188 95.5806 118.8978 760261.6152 -4.1761 -4.1996 PRESSURE: 2370000 23.9065 -16.5334 -102.807 -16.5326 -208.942 113.996 -102.807 113.995 -84.4895 GPRESSURE: 2370000 29.1535 -2.62086 -168.903 -23.3567 -142.264 54.1905 -64.223 1.33724 -68.4973 PRESSAVG: 2370000 -5.4852 8.43994 -21.2348 8.43988 -3.50675 3.20112 -21.2347 3.20108 -23.5902 GPRESSAVG: 2370000 -4.81557 7.84407 -21.0432 8.63225 -4.72933 4.63408 -20.0096 1.59743 -22.9859 TIMING: 2370000 CPU: 7564.47, 0.0031489/step Wall: 7564.47, 0.0031489/step, 2.30045 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2370000 4025.4872 20481.2157 14483.9628 249.0181 -203623.1775 2605.6456 0.0000 0.0000 51956.2796 -109821.5685 298.5935 -161777.8482 -109461.9521 298.7103 -89.8415 -60.5359 763175.0470 -10.8607 -10.8436 PRESSURE: 2370200 -2.56114 -63.3566 47.1718 -63.3568 -98.1407 -93.0716 47.1725 -93.0718 -197.593 GPRESSURE: 2370200 72.0041 -62.057 13.947 18.3312 -118.508 -12.3077 68.5478 -200.242 -175.798 PRESSAVG: 2370200 12.1492 3.38885 48.3749 3.38888 -21.3356 33.997 48.3749 33.9971 19.3573 GPRESSAVG: 2370200 12.3776 3.90494 48.8764 2.67204 -19.7018 34.1707 47.989 33.8286 17.7268 TIMING: 2370200 CPU: 7565.1, 0.00315583/step Wall: 7565.1, 0.00315583/step, 2.30533 hours remaining, 234.406250 MB of memory in use. ENERGY: 2370200 3932.4352 20373.5165 14544.1682 245.7789 -203496.2241 2692.5283 0.0000 0.0000 52022.1774 -109685.6197 298.9722 -161707.7971 -109323.1359 298.6040 -99.4318 -74.1007 762848.0117 3.3903 3.4675 PRESSURE: 2370400 -395.496 58.4398 -220.802 58.4404 -305.04 -217.27 -220.802 -217.27 537.083 GPRESSURE: 2370400 -472.881 16.1957 -246.16 39.1853 -172.013 -192.627 -162.946 -159.123 556.643 PRESSAVG: 2370400 44.7301 -68.4489 -5.78595 -68.4489 -29.39 -29.08 -5.78597 -29.0801 -4.50129 GPRESSAVG: 2370400 43.4782 -69.5286 -4.93558 -68.2224 -29.0785 -30.574 -6.38885 -30.8847 -3.24105 TIMING: 2370400 CPU: 7565.73, 0.00315599/step Wall: 7565.73, 0.00315599/step, 2.30528 hours remaining, 234.406250 MB of memory in use. ENERGY: 2370400 3958.5160 20473.8172 14430.7669 242.8278 -203811.9450 3043.6716 0.0000 0.0000 51759.0050 -109903.3405 297.4597 -161662.3455 -109539.1046 298.2294 -54.4843 -29.4170 762510.3094 3.6129 3.7195 PRESSURE: 2370600 -160.008 -155.03 38.2896 -155.03 -0.3625 -72.9024 38.2902 -72.903 -125.506 GPRESSURE: 2370600 -63.5882 -99.7835 71.7436 -45.4427 33.742 -111.497 22.88 -71.1623 -160.438 PRESSAVG: 2370600 3.1327 25.8 27.4019 25.8 -25.6297 -27.0687 27.4019 -27.0686 -0.272892 GPRESSAVG: 2370600 2.59846 27.0844 27.067 25.8453 -25.4765 -28.2773 27.4942 -25.4816 -0.0518104 TIMING: 2370600 CPU: 7566.37, 0.00317735/step Wall: 7566.37, 0.00317735/step, 2.3207 hours remaining, 234.406250 MB of memory in use. ENERGY: 2370600 3951.1879 20357.4958 14499.6566 255.0214 -203632.6137 2905.2895 0.0000 0.0000 51661.7332 -110002.2293 296.9007 -161663.9625 -109655.4561 297.6992 -95.2923 -63.4282 761243.0035 -7.5900 -7.6433 PRESSURE: 2370800 -411.574 -80.4434 153.085 -80.4425 77.8869 -32.8693 153.084 -32.8698 358.324 GPRESSURE: 2370800 -303.584 -47.8987 178.548 -115.173 -15.3186 -144.305 -35.4144 1.58812 408.556 PRESSAVG: 2370800 12.0247 -35.4752 -22.0017 -35.4752 0.789166 -45.9955 -22.0017 -45.9954 10.4967 GPRESSAVG: 2370800 13.355 -36.2932 -22.0725 -35.3594 0.892531 -42.7397 -22.7052 -43.6614 9.13267 TIMING: 2370800 CPU: 7567.01, 0.00318744/step Wall: 7567.01, 0.00318744/step, 2.3279 hours remaining, 234.406250 MB of memory in use. ENERGY: 2370800 3954.8486 20483.7681 14501.4400 235.7633 -203609.2200 2671.4518 0.0000 0.0000 51668.2678 -110093.6804 296.9382 -161761.9482 -109737.2419 297.6139 8.2121 29.8843 761514.8411 7.7702 7.7934 PRESSURE: 2371000 141.93 89.4082 -73.3695 89.4066 277.11 163.962 -73.3692 163.961 -155.391 GPRESSURE: 2371000 166.669 36.4499 -22.4734 22.9143 310.832 184.842 -48.1251 222.909 -145.055 PRESSAVG: 2371000 13.0138 -59.9015 49.5325 -59.9014 8.62389 4.50489 49.5324 4.50486 2.84024 GPRESSAVG: 2371000 12.4748 -59.2531 48.5042 -59.1594 8.33033 3.00463 50.2841 2.96982 3.85413 TIMING: 2371000 CPU: 7567.63, 0.00313995/step Wall: 7567.63, 0.00313995/step, 2.29304 hours remaining, 234.406250 MB of memory in use. ENERGY: 2371000 3914.7185 20374.8011 14466.1834 244.3114 -204037.2833 2892.0000 0.0000 0.0000 51936.6266 -110208.6424 298.4805 -162145.2690 -109852.5132 297.6686 87.8832 110.8155 761585.8074 8.1593 8.2197 PRESSURE: 2371200 79.6475 -59.8328 -173.004 -59.8333 243.507 164.163 -173.004 164.163 -450.334 GPRESSURE: 2371200 115.067 -70.2597 -154.637 -82.9645 227.578 143.45 -163.823 153.134 -380.991 PRESSAVG: 2371200 -8.26744 -28.2567 -13.2349 -28.2567 -13.3333 0.0709288 -13.235 0.0709839 2.93223 GPRESSAVG: 2371200 -8.56122 -29.0709 -13.2349 -30.8612 -13.4988 -1.21985 -12.7712 0.601647 3.28424 TIMING: 2371200 CPU: 7568.26, 0.00313846/step Wall: 7568.26, 0.00313846/step, 2.29178 hours remaining, 234.406250 MB of memory in use. ENERGY: 2371200 4068.0180 20395.0467 14486.6536 253.8239 -203975.8825 2852.5770 0.0000 0.0000 51816.6059 -110103.1574 297.7907 -161919.7633 -109752.7076 297.4288 -42.3931 -12.7821 762448.5453 -6.2229 -6.2586 PRESSURE: 2371400 312.153 2.69006 125.847 2.6895 257.931 255.665 125.847 255.664 -12.6082 GPRESSURE: 2371400 270.669 58.0789 148.382 139.112 278.97 218.96 -66.0103 262.052 98.8492 PRESSAVG: 2371400 -40.5016 -35.0223 55.609 -35.0224 24.5106 27.1038 55.6089 27.1039 9.92379 GPRESSAVG: 2371400 -40.4254 -35.9481 55.9603 -31.522 24.336 28.9205 55.0141 26.5535 10.1005 TIMING: 2371400 CPU: 7568.89, 0.00315766/step Wall: 7568.89, 0.00315766/step, 2.30562 hours remaining, 234.406250 MB of memory in use. ENERGY: 2371400 3992.7094 20579.3235 14390.4928 261.1649 -203933.3965 2927.9300 0.0000 0.0000 51693.5381 -110088.2378 297.0835 -161781.7759 -109732.6311 297.6357 185.8253 216.1628 760573.3630 -2.0224 -1.9963 PRESSURE: 2371600 126.879 123.027 -123.532 123.028 -190.163 92.4819 -123.532 92.4822 57.0312 GPRESSURE: 2371600 140.095 165.173 -157.286 65.3146 -151.8 140.843 -87.3153 76.4846 92.369 PRESSAVG: 2371600 -14.9901 20.4743 27.0586 20.4743 16.4356 86.1761 27.0585 86.176 7.51801 GPRESSAVG: 2371600 -14.7715 19.8592 27.7271 18.4233 16.5684 84.4221 26.6471 85.0993 7.87695 TIMING: 2371600 CPU: 7569.52, 0.00314879/step Wall: 7569.52, 0.00314879/step, 2.29896 hours remaining, 234.406250 MB of memory in use. ENERGY: 2371600 3968.0864 20504.3478 14413.0701 239.2527 -203943.0974 2676.8927 0.0000 0.0000 51963.0419 -110178.4057 298.6323 -162141.4476 -109815.5210 297.2286 -2.0841 26.8880 759358.4795 2.9878 3.2246 PRESSURE: 2371800 -201.884 23.8164 50.5331 23.8171 94.6342 -66.2758 50.5337 -66.2759 -323.149 GPRESSURE: 2371800 -193.644 -71.3031 113.424 0.578799 103.107 -119.504 -85.2738 -109.448 -265.072 PRESSAVG: 2371800 36.6859 11.1638 -17.7853 11.1639 -3.23594 22.3847 -17.7852 22.3847 -0.888264 GPRESSAVG: 2371800 35.9611 11.2596 -20.3785 12.0583 -2.42262 23.1168 -15.8456 22.5066 -0.91904 TIMING: 2371800 CPU: 7570.15, 0.00311686/step Wall: 7570.15, 0.00311686/step, 2.27548 hours remaining, 234.406250 MB of memory in use. ENERGY: 2371800 3979.2839 20533.1019 14449.8967 232.5036 -203572.2125 2399.6529 0.0000 0.0000 51861.9149 -110115.8587 298.0511 -161977.7736 -109758.3843 297.9357 -143.4663 -118.5367 759444.0488 10.8539 10.8731 PRESSURE: 2372000 42.7286 -168.219 -71.407 -168.219 -234.406 -24.5452 -71.4064 -24.5449 56.2432 GPRESSURE: 2372000 43.0548 -119.866 -135.739 -180.402 -168.332 -83.6762 -113.824 7.19411 81.206 PRESSAVG: 2372000 -30.4762 -22.2907 14.7454 -22.2906 4.64454 -46.8506 14.7454 -46.8506 16.1976 GPRESSAVG: 2372000 -29.0579 -20.6535 17.5128 -22.1836 2.52941 -46.0947 12.4773 -46.9565 15.7812 TIMING: 2372000 CPU: 7570.78, 0.00314305/step Wall: 7570.78, 0.00314305/step, 2.29442 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2372000 4075.7728 20610.2797 14467.4304 262.9342 -203368.5552 2435.4139 0.0000 0.0000 51525.4648 -109991.2594 296.1176 -161516.7242 -109632.8648 298.0597 -45.1447 -14.6904 762851.6457 -3.2114 -3.5824 PRESSURE: 2372200 -294.098 57.5111 -38.7443 57.5109 -27.9642 114.102 -38.7445 114.1 9.6465 GPRESSURE: 2372200 -213.887 146.233 24.1823 93.9333 3.6203 139.593 15.1475 182.8 -19.6513 PRESSAVG: 2372200 7.75852 -34.2515 6.02445 -34.2515 -17.9253 20.0416 6.02439 20.0416 -14.189 GPRESSAVG: 2372200 7.64978 -35.6583 3.70209 -36.2267 -17.5881 18.5549 6.55987 20.6482 -14.4073 TIMING: 2372200 CPU: 7571.41, 0.00315598/step Wall: 7571.41, 0.00315598/step, 2.30369 hours remaining, 234.406250 MB of memory in use. ENERGY: 2372200 4030.5866 20523.2588 14528.3683 235.4348 -203746.7559 2656.8903 0.0000 0.0000 52044.7051 -109727.5121 299.1016 -161772.2172 -109359.0320 298.4229 -104.1384 -76.6393 761814.3320 -8.1186 -8.1152 LDB: ============= START OF LOAD BALANCING ============== 7583.83 LDB: ============== END OF LOAD BALANCING =============== 7583.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7583.83 LDB: ============= START OF LOAD BALANCING ============== 7584.15 LDB: Largest compute 7033 load 0.038154 is 19.5% of average load 0.195419 LDB: Average compute 0.004382 is 2.2% of average load 0.195419 LDB: TIME 7584.15 LOAD: AVG 0.195419 MAX 0.2136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.633 MB LDB: TIME 7584.15 LOAD: AVG 0.195419 MAX 0.2136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 7584.15 LOAD: AVG 0.195419 MAX 0.2136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 7584.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7584.16 PRESSURE: 2372400 113.931 -84.5665 43.2435 -84.5668 -605.732 233.037 43.2436 233.037 513.767 GPRESSURE: 2372400 120.952 -92.3867 -0.483078 -45.9869 -545.908 140.343 -107.932 147.878 532.639 PRESSAVG: 2372400 87.4637 8.85999 -40.9638 8.86 -105.511 -20.1229 -40.9638 -20.1229 18.3262 GPRESSAVG: 2372400 86.5126 9.66181 -40.6259 11.6897 -104.742 -20.4044 -41.7386 -19.0207 18.9555 TIMING: 2372400 CPU: 7572.06, 0.00324686/step Wall: 7572.06, 0.00324686/step, 2.36985 hours remaining, 233.304688 MB of memory in use. ENERGY: 2372400 3996.8364 20625.3193 14478.8102 243.7083 -203483.7487 2509.5505 0.0000 0.0000 51848.6498 -109780.8742 297.9749 -161629.5239 -109427.3732 298.9252 7.3221 35.8944 760765.7077 0.0929 0.2420 PRESSURE: 2372600 -243.319 -113.493 -164.607 -113.492 -215.83 105.684 -164.607 105.683 -334.908 GPRESSURE: 2372600 -200.816 -173.356 -62.1279 -141.717 -241.94 98.5694 -61.534 116.144 -267.781 PRESSAVG: 2372600 44.5371 -30.3954 -0.611537 -30.3953 -28.223 20.1208 -0.611533 20.1208 -30.5512 GPRESSAVG: 2372600 44.4656 -29.2399 1.05901 -32.2199 -27.412 20.179 -0.863915 20.2457 -31.2446 TIMING: 2372600 CPU: 7572.69, 0.00317739/step Wall: 7572.69, 0.00317739/step, 2.31897 hours remaining, 233.304688 MB of memory in use. ENERGY: 2372600 3967.8876 20463.9294 14464.1028 239.5559 -203684.9829 2496.5879 0.0000 0.0000 52373.4135 -109679.5056 300.9907 -162052.9192 -109310.2565 298.9130 -264.6855 -236.8458 759737.1119 -4.7457 -4.7303 PRESSURE: 2372800 -51.7419 -110.627 -212.055 -110.628 -243.132 313.012 -212.055 313.012 -187.153 GPRESSURE: 2372800 19.8549 -40.085 -201.584 -105.6 -279.413 338.63 -117.273 295.149 -138.997 PRESSAVG: 2372800 88.2863 -30.1201 43.8739 -30.12 -69.0291 49.0362 43.874 49.0361 9.57939 GPRESSAVG: 2372800 88.7692 -30.1593 42.8865 -30.7287 -70.1038 50.2571 45.7233 46.3025 9.6285 TIMING: 2372800 CPU: 7573.32, 0.0031466/step Wall: 7573.32, 0.0031466/step, 2.29632 hours remaining, 233.304688 MB of memory in use. ENERGY: 2372800 3974.4103 20597.9505 14490.1249 246.0221 -203321.7285 2428.6822 0.0000 0.0000 52037.7576 -109546.7808 299.0617 -161584.5384 -109183.0222 299.2043 -160.6758 -132.8517 759905.7676 9.6122 9.4313 PRESSURE: 2373000 92.7255 -56.7887 317.765 -56.789 -262.314 27.3962 317.767 27.3961 -68.3842 GPRESSURE: 2373000 -12.8074 -31.7258 213.417 -40.0866 -155.024 -41.5458 255.508 73.4459 1.90699 PRESSAVG: 2373000 99.651 15.1742 31.139 15.1742 -12.7828 -24.5424 31.1389 -24.5424 -1.53133 GPRESSAVG: 2373000 101.396 13.6965 31.8677 16.6109 -12.449 -26.3692 29.5894 -21.4727 -3.01562 TIMING: 2373000 CPU: 7573.95, 0.00316439/step Wall: 7573.95, 0.00316439/step, 2.30912 hours remaining, 233.304688 MB of memory in use. ENERGY: 2373000 3952.8204 20641.2079 14488.4086 256.8241 -203623.1121 2633.0861 0.0000 0.0000 52219.2457 -109431.5192 300.1047 -161650.7650 -109071.0365 299.5812 -79.3242 -55.3081 759634.7464 28.4456 28.6439 PRESSURE: 2373200 -148.786 -6.60957 136.769 -6.60862 -360.243 57.2444 136.768 57.2447 -292.451 GPRESSURE: 2373200 -184.034 -109.387 124.65 65.9546 -268.71 -17.2295 113.571 165.416 -272.389 PRESSAVG: 2373200 -1.90403 24.8197 1.61276 24.8197 11.977 5.13628 1.61275 5.13629 0.446991 GPRESSAVG: 2373200 -2.39006 25.6195 2.01929 24.3112 12.8397 4.55436 1.89349 5.36422 0.478404 TIMING: 2373200 CPU: 7574.59, 0.00316302/step Wall: 7574.59, 0.00316302/step, 2.30795 hours remaining, 233.304688 MB of memory in use. ENERGY: 2373200 3940.0132 20669.9242 14555.2538 228.4833 -203340.3054 2327.6984 0.0000 0.0000 52267.8207 -109351.1117 300.3839 -161618.9325 -108992.0999 299.4985 -267.1598 -241.7111 760356.4777 3.5066 3.6427 PRESSURE: 2373400 -188.777 -87.6198 -119.349 -87.6208 -110.199 179.094 -119.349 179.094 311.957 GPRESSURE: 2373400 -112.113 -188.313 -135.637 -46.1696 -22.499 238.519 -140.812 91.2411 224.407 PRESSAVG: 2373400 11.6216 -19.7822 3.87499 -19.7821 -9.29949 0.656528 3.87499 0.656531 -7.78339 GPRESSAVG: 2373400 11.4668 -18.6976 3.8693 -20.0551 -8.81629 3.37986 3.68672 0.446223 -7.79702 TIMING: 2373400 CPU: 7575.22, 0.00318649/step Wall: 7575.22, 0.00318649/step, 2.3249 hours remaining, 233.304688 MB of memory in use. ENERGY: 2373400 4059.0012 20525.3681 14581.4971 266.5456 -203634.4646 2719.4455 0.0000 0.0000 52124.3679 -109358.2392 299.5595 -161482.6071 -108998.6232 299.7028 4.3269 29.9315 759749.6516 -1.8204 -1.7155 PRESSURE: 2373600 126.538 58.6828 56.6406 58.6827 80.9064 35.2543 56.6416 35.2551 202.786 GPRESSURE: 2373600 168.979 -20.5263 115.657 128.277 118.339 102.03 88.281 222.115 182.464 PRESSAVG: 2373600 27.6232 -4.10893 43.5978 -4.10887 9.2542 48.0658 43.5977 48.0658 16.6506 GPRESSAVG: 2373600 26.67 -4.27325 44.3712 -3.12787 9.32947 47.7306 43.1832 47.0211 17.1963 TIMING: 2373600 CPU: 7575.86, 0.00319307/step Wall: 7575.86, 0.00319307/step, 2.32952 hours remaining, 233.304688 MB of memory in use. ENERGY: 2373600 4050.9968 20595.7994 14483.7413 234.1935 -203803.8958 2868.3500 0.0000 0.0000 52215.6152 -109355.1998 300.0839 -161570.8150 -108991.4504 299.8786 136.7432 156.5939 759970.2839 17.8427 17.7319 PRESSURE: 2373800 149.988 16.163 -16.7391 16.1627 -143.642 -58.5587 -16.7394 -58.5592 175.47 GPRESSURE: 2373800 146.274 8.47299 -84.1796 81.6017 -85.6437 -4.81251 31.8763 -87.7465 209.507 PRESSAVG: 2373800 25.7035 -28.7133 3.63208 -28.7133 -23.8715 34.8196 3.63211 34.8196 -0.7001 GPRESSAVG: 2373800 26.7526 -28.4082 1.93895 -30.2849 -25.4769 33.4317 6.37069 37.0371 -0.386737 TIMING: 2373800 CPU: 7576.5, 0.00316823/step Wall: 7576.5, 0.00316823/step, 2.31122 hours remaining, 233.304688 MB of memory in use. ENERGY: 2373800 3965.6471 20285.2523 14612.0227 247.0934 -203566.5829 2564.0609 0.0000 0.0000 52455.9881 -109436.5184 301.4653 -161892.5065 -109071.6769 300.1418 60.6053 90.0459 760153.5387 0.3773 0.2963 PRESSURE: 2374000 21.1297 -69.6737 39.4325 -69.6727 -50.4817 -42.8705 39.4325 -42.8709 214.898 GPRESSURE: 2374000 -67.0612 35.157 27.4382 -27.5672 57.9597 66.2565 16.4647 -58.539 295.904 PRESSAVG: 2374000 28.1042 -57.6288 28.1042 -57.6288 -38.445 3.32345 28.1042 3.32342 6.80197 GPRESSAVG: 2374000 27.118 -56.9543 30.0272 -56.3996 -36.9307 3.83186 23.7198 2.46697 6.32499 TIMING: 2374000 CPU: 7577.13, 0.00317865/step Wall: 7577.13, 0.00317865/step, 2.31865 hours remaining, 233.304688 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: 2374000 4001.0862 20793.0981 14510.6102 258.6268 -203564.3891 2601.9325 0.0000 0.0000 52057.4862 -109341.5490 299.1751 -161399.0352 -108975.4671 299.8322 61.8485 95.6010 761231.3319 -1.1796 -1.1626 PRESSURE: 2374200 189.766 43.1767 50.8577 43.1774 50.746 54.2696 50.8579 54.2695 395.796 GPRESSURE: 2374200 223.98 65.7249 135.786 -11.2211 17.1379 98.8024 166.325 2.60055 485.096 PRESSAVG: 2374200 68.1397 -18.1065 -61.0798 -18.1065 -59.0676 -19.879 -61.0798 -19.8791 -15.1199 GPRESSAVG: 2374200 68.3593 -19.8274 -63.1713 -18.2788 -58.7135 -17.9997 -57.1768 -21.0169 -16.1364 TIMING: 2374200 CPU: 7577.76, 0.00315682/step Wall: 7577.76, 0.00315682/step, 2.30255 hours remaining, 233.304688 MB of memory in use. ENERGY: 2374200 4005.6697 20534.6907 14486.0947 229.1547 -203764.0516 2933.5844 0.0000 0.0000 52225.5959 -109349.2614 300.1412 -161574.8574 -108972.7426 299.9490 212.1028 242.0714 760816.5938 -2.0159 -2.1636 PRESSURE: 2374400 124.061 12.6952 36.8304 12.6955 -525.551 -57.3025 36.8313 -57.3029 107.593 GPRESSURE: 2374400 150.729 125.856 -15.4697 -20.0756 -499.912 -103.546 10.5144 -6.47584 136.678 PRESSAVG: 2374400 67.9238 -26.3898 29.4731 -26.3898 -75.8376 -3.85791 29.4732 -3.85797 -34.5526 GPRESSAVG: 2374400 68.1506 -25.854 31.8681 -24.3277 -77.3152 -5.28065 24.6305 -2.67324 -32.8837 TIMING: 2374400 CPU: 7578.4, 0.00316412/step Wall: 7578.4, 0.00316412/step, 2.3077 hours remaining, 233.304688 MB of memory in use. ENERGY: 2374400 3956.9547 20806.3182 14534.2526 238.8222 -203507.9113 2677.2736 0.0000 0.0000 51947.8165 -109346.4735 298.5448 -161294.2900 -108980.5833 299.6627 -97.9657 -70.8350 762183.1861 -14.1554 -14.0161 PRESSURE: 2374600 293.527 117.796 -48.132 117.796 -15.6441 157.636 -48.1324 157.636 -424.039 GPRESSURE: 2374600 258.36 65.3529 48.7936 69.5654 32.35 23.9252 3.99895 116.094 -365.968 PRESSAVG: 2374600 72.5247 20.971 -4.29694 20.9711 -112.11 25.2933 -4.29695 25.2934 37.8787 GPRESSAVG: 2374600 73.1945 22.5265 -5.83616 18.3263 -112.713 26.6728 -0.303523 22.2555 37.3127 TIMING: 2374600 CPU: 7579.03, 0.00315953/step Wall: 7579.03, 0.00315953/step, 2.30418 hours remaining, 233.304688 MB of memory in use. ENERGY: 2374600 3962.4946 20525.4884 14443.0896 235.7574 -203217.5208 2680.3420 0.0000 0.0000 52104.5980 -109265.7508 299.4458 -161370.3489 -108906.4933 299.7036 -48.7187 -25.0858 761757.5461 -0.5690 -0.7352 PRESSURE: 2374800 -244.845 -0.0377407 -39.7275 -0.0375507 -335.996 -93.8132 -39.7271 -93.8131 -436.238 GPRESSURE: 2374800 -164.485 59.8238 -117.443 21.8179 -389.985 -132.53 -83.7346 -95.0395 -385.682 PRESSAVG: 2374800 73.4692 -6.34771 8.50175 -6.34758 -62.0033 8.1417 8.50175 8.14174 -9.35722 GPRESSAVG: 2374800 73.1597 -9.38647 9.08965 -5.85242 -62.2087 8.75453 7.68354 11.192 -9.20281 TIMING: 2374800 CPU: 7579.66, 0.00318167/step Wall: 7579.66, 0.00318167/step, 2.32015 hours remaining, 233.304688 MB of memory in use. ENERGY: 2374800 3936.1128 20500.4552 14487.8213 249.9100 -202842.0744 2100.2650 0.0000 0.0000 52278.6561 -109288.8541 300.4462 -161567.5101 -108921.0191 299.7713 -339.0264 -313.3842 762921.7386 0.7029 0.5827 PRESSURE: 2375000 -204.513 -87.5691 85.568 -87.5689 57.5431 62.5708 85.5688 62.571 -25.2701 GPRESSURE: 2375000 -142.053 -12.2187 54.7752 -54.7889 112.203 66.225 97.1059 37.8748 -27.2817 PRESSAVG: 2375000 6.98071 -4.10037 -32.311 -4.10032 -68.804 3.18501 -32.311 3.18513 -20.0781 GPRESSAVG: 2375000 5.83685 -2.1312 -32.1167 -2.95803 -67.34 2.3573 -33.5587 1.80639 -20.6907 TIMING: 2375000 CPU: 7580.3, 0.00317498/step Wall: 7580.3, 0.00317498/step, 2.31509 hours remaining, 233.304688 MB of memory in use. ENERGY: 2375000 4005.4280 20468.0219 14523.4939 245.4252 -203039.7082 2582.6325 0.0000 0.0000 52055.5557 -109159.1511 299.1640 -161214.7067 -108798.3772 299.7410 -57.4133 -19.0439 761898.5405 -27.3005 -27.3979 PRESSURE: 2375200 88.0244 73.1534 86.3877 73.1535 -24.6504 -160.276 86.3878 -160.276 227.709 GPRESSURE: 2375200 105.949 2.874 157.437 27.9801 16.8772 -110.087 -0.311363 -132.925 251.542 PRESSAVG: 2375200 6.88785 33.6152 8.70371 33.6152 8.56484 9.73963 8.70368 9.73953 50.0683 GPRESSAVG: 2375200 8.2551 30.9555 8.1382 34.3473 6.97598 9.4913 9.78535 8.93331 49.8793 TIMING: 2375200 CPU: 7580.93, 0.00317164/step Wall: 7580.93, 0.00317164/step, 2.31248 hours remaining, 233.304688 MB of memory in use. ENERGY: 2375200 4000.1828 20490.0407 14528.1718 245.2287 -203198.9541 2504.8828 0.0000 0.0000 52152.8916 -109277.5558 299.7234 -161430.4473 -108924.3936 299.7282 97.0275 124.7895 761357.8646 21.8403 21.7034 PRESSURE: 2375400 -160.319 -109.974 25.2339 -109.975 235.046 -76.6616 25.2334 -76.6617 37.8155 GPRESSURE: 2375400 -102.029 -67.9958 80.569 -29.7277 248.775 -64.9978 127.162 -77.548 62.8899 PRESSAVG: 2375400 50.147 -17.0836 21.9273 -17.0836 -9.409 -30.4298 21.9273 -30.4297 2.08975 GPRESSAVG: 2375400 50.3581 -12.8425 21.9876 -20.5897 -10.8607 -31.0158 20.9805 -27.726 3.34127 TIMING: 2375400 CPU: 7581.56, 0.00315621/step Wall: 7581.56, 0.00315621/step, 2.30105 hours remaining, 233.304688 MB of memory in use. ENERGY: 2375400 3977.6859 20484.3023 14462.6376 259.3380 -203720.5385 2783.3374 0.0000 0.0000 52461.3670 -109291.8702 301.4962 -161753.2372 -108929.6389 299.9309 37.5141 69.8786 761292.9237 14.2759 14.2795 PRESSURE: 2375600 -34.0578 -59.1033 155.697 -59.1029 33.9137 -6.24558 155.697 -6.24579 630.113 GPRESSURE: 2375600 98.2554 88.8758 130.858 -94.0998 -18.2424 38.2373 155.364 -11.6802 624.01 PRESSAVG: 2375600 54.6223 26.7047 7.51218 26.7046 -38.2976 0.963974 7.51218 0.964 -0.880187 GPRESSAVG: 2375600 53.4692 24.3724 6.69125 30.0085 -34.9498 1.85395 8.95841 -1.36479 -3.03892 TIMING: 2375600 CPU: 7582.2, 0.00317128/step Wall: 7582.2, 0.00317128/step, 2.31186 hours remaining, 233.304688 MB of memory in use. ENERGY: 2375600 3937.5431 20640.4410 14418.3391 238.9535 -203441.9922 2669.9643 0.0000 0.0000 52278.4812 -109258.2700 300.4452 -161536.7513 -108896.6667 299.9557 209.9895 234.6743 759827.5525 5.1482 5.1602 PRESSURE: 2375800 25.9818 -51.4763 -93.0273 -51.4766 -42.7599 -105.004 -93.0263 -105.003 78.2498 GPRESSURE: 2375800 101.981 -106.841 -152.713 -76.1529 -113.479 -75.6468 -112.473 -89.772 139.637 PRESSAVG: 2375800 55.8303 -43.7364 -55.394 -43.7364 -19.4692 -6.50356 -55.394 -6.50354 -10.3979 GPRESSAVG: 2375800 56.8876 -45.5302 -53.6483 -44.7071 -21.2998 -6.6932 -57.8258 -5.52408 -9.83426 TIMING: 2375800 CPU: 7582.83, 0.00314566/step Wall: 7582.83, 0.00314566/step, 2.29301 hours remaining, 233.304688 MB of memory in use. ENERGY: 2375800 4009.2232 20660.3458 14422.2045 239.2713 -203322.1869 2572.0470 0.0000 0.0000 52181.6600 -109237.4352 299.8887 -161419.0952 -108869.4488 299.5032 20.4905 42.7132 760012.1729 8.6544 8.5845 PRESSURE: 2376000 331.947 -302.735 -49.0072 -302.734 32.6076 111.442 -49.0075 111.442 -241.029 GPRESSURE: 2376000 369.37 -264.743 -37.934 -388.286 31.9592 100.761 85.1033 114.488 -191.663 PRESSAVG: 2376000 -8.37912 -25.489 -5.93351 -25.489 37.4258 46.1189 -5.9335 46.1189 3.77974 GPRESSAVG: 2376000 -9.81209 -23.856 -7.18711 -25.6727 38.1061 45.709 -2.71329 45.4654 4.49579 TIMING: 2376000 CPU: 7583.46, 0.00315056/step Wall: 7583.46, 0.00315056/step, 2.29641 hours remaining, 233.304688 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: 2376000 3996.8902 20693.8338 14491.5991 244.9383 -203527.7967 2687.3823 0.0000 0.0000 52246.9603 -109166.1926 300.2640 -161413.1530 -108806.9854 299.6062 41.1753 69.8887 760973.6704 10.9421 10.9299 PRESSURE: 2376200 -250.381 -120.542 -115.906 -120.541 -274.283 3.54633 -115.906 3.54662 10.3237 GPRESSURE: 2376200 -166.888 -236.089 -107.517 -112.207 -233.472 110.46 -117.55 -34.3695 -6.4648 PRESSAVG: 2376200 -0.610566 -51.4641 1.08309 -51.464 -23.3689 16.9509 1.08311 16.9509 1.05989 GPRESSAVG: 2376200 0.0669683 -51.1587 0.325461 -50.4112 -24.514 18.7296 -2.23041 17.8506 1.35717 TIMING: 2376200 CPU: 7584.09, 0.00314023/step Wall: 7584.09, 0.00314023/step, 2.2887 hours remaining, 233.304688 MB of memory in use. ENERGY: 2376200 3983.0597 20556.6586 14522.3698 252.2716 -203367.4292 2395.5190 0.0000 0.0000 52409.4731 -109248.0774 301.1980 -161657.5505 -108881.7050 300.5606 -171.4469 -135.6081 761919.7778 -7.6399 -7.6966 LDB: ============= START OF LOAD BALANCING ============== 7596.51 LDB: ============== END OF LOAD BALANCING =============== 7596.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.51 LDB: ============= START OF LOAD BALANCING ============== 7596.83 LDB: Largest compute 7033 load 0.037074 is 19.0% of average load 0.195401 LDB: Average compute 0.004414 is 2.3% of average load 0.195401 LDB: TIME 7596.83 LOAD: AVG 0.195401 MAX 0.210157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 7596.83 LOAD: AVG 0.195401 MAX 0.210157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: TIME 7596.83 LOAD: AVG 0.195401 MAX 0.210157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: ============== END OF LOAD BALANCING =============== 7596.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.84 PRESSURE: 2376400 -95.9709 -64.0629 52.3004 -64.0628 158.415 95.8473 52.2998 95.8477 81.9258 GPRESSURE: 2376400 -31.0456 -82.1138 61.5464 -54.2529 104.522 137.287 197.065 -39.7215 159.216 PRESSAVG: 2376400 31.7935 -15.1573 42.9686 -15.1573 -48.8036 -21.9811 42.9685 -21.981 -24.6047 GPRESSAVG: 2376400 33.058 -14.2984 42.6098 -18.2376 -48.2243 -22.992 43.8183 -23.1108 -25.7089 TIMING: 2376400 CPU: 7584.73, 0.00323254/step Wall: 7584.73, 0.00323254/step, 2.35581 hours remaining, 235.875000 MB of memory in use. ENERGY: 2376400 3976.9714 20615.5072 14463.6910 274.9986 -203698.6631 2854.2172 0.0000 0.0000 52090.9856 -109422.2921 299.3676 -161513.2777 -109064.7925 299.3342 48.1234 77.5643 760342.8427 -13.8716 -13.6251 PRESSURE: 2376600 -548.682 -6.59511 93.0201 -6.59529 -98.719 262.435 93.0206 262.435 303.568 GPRESSURE: 2376600 -524.427 -97.5952 39.7003 73.8248 -13.7979 211.962 158.259 272.416 293.63 PRESSAVG: 2376600 42.1007 -41.6566 6.09864 -41.6566 2.20556 18.0655 6.0987 18.0655 -0.253686 GPRESSAVG: 2376600 41.7235 -41.9524 6.7182 -41.3571 2.46761 18.4167 6.40285 18.1935 -0.630234 TIMING: 2376600 CPU: 7585.36, 0.00314454/step Wall: 7585.36, 0.00314454/step, 2.2915 hours remaining, 235.875000 MB of memory in use. ENERGY: 2376600 3943.6349 20604.3513 14455.2719 234.4970 -203174.4620 2429.9440 0.0000 0.0000 52345.3390 -109161.4239 300.8294 -161506.7629 -108798.5206 299.9588 -114.6108 -81.5317 761681.4231 14.6842 14.5203 PRESSURE: 2376800 -530.262 18.8895 -70.4528 18.89 -397.835 -107.237 -70.4522 -107.237 -576.38 GPRESSURE: 2376800 -526.484 -101.525 -133.103 19.3418 -371.731 -125.042 -21.8653 -108.668 -500.908 PRESSAVG: 2376800 3.28198 -29.0359 -13.5311 -29.0358 4.97922 -35.4615 -13.5311 -35.4616 6.58506 GPRESSAVG: 2376800 3.57801 -28.5077 -13.3264 -29.1618 4.35248 -35.8947 -12.5377 -34.197 6.87731 TIMING: 2376800 CPU: 7585.99, 0.00314512/step Wall: 7585.99, 0.00314512/step, 2.29174 hours remaining, 235.875000 MB of memory in use. ENERGY: 2376800 3913.7546 20789.9481 14467.6465 245.9737 -202524.8247 2099.2403 0.0000 0.0000 52011.7706 -108996.4907 298.9124 -161008.2613 -108637.4465 300.3093 -501.4925 -466.3744 763698.2527 4.9488 4.9359 PRESSURE: 2377000 -39.8457 106.646 4.88553 106.646 -5.9409 84.9204 4.8858 84.9208 375.319 GPRESSURE: 2377000 -117.11 127.4 -0.591032 139.379 173.639 113.281 -2.11245 -6.6667 369.745 PRESSAVG: 2377000 38.8654 27.308 -3.88435 27.308 6.25397 -30.0637 -3.88436 -30.0637 -10.74 GPRESSAVG: 2377000 38.4997 27.4893 -3.88161 28.7649 6.64573 -29.9591 -4.1921 -33.6268 -10.8924 TIMING: 2377000 CPU: 7586.62, 0.00316081/step Wall: 7586.62, 0.00316081/step, 2.303 hours remaining, 235.875000 MB of memory in use. ENERGY: 2377000 3947.8062 20587.3387 14429.8176 240.2471 -203242.4974 2627.7921 0.0000 0.0000 52247.9522 -109161.5435 300.2697 -161409.4957 -108790.0372 300.6848 109.8442 142.0912 761916.9659 11.4598 11.4177 PRESSURE: 2377200 -412.583 -15.6879 -38.3503 -15.6878 202.428 26.354 -38.3507 26.3527 -149.025 GPRESSURE: 2377200 -313.639 -41.1277 -23.9951 30.2477 177.994 109.689 -115.237 194.52 -139.929 PRESSAVG: 2377200 -4.89117 -36.5394 -16.6224 -36.5393 -2.84427 -35.2981 -16.6224 -35.2981 -13.8907 GPRESSAVG: 2377200 -5.70523 -35.4669 -17.1043 -36.8375 -3.39499 -33.283 -17.2271 -34.3599 -12.1142 TIMING: 2377200 CPU: 7587.25, 0.00314533/step Wall: 7587.25, 0.00314533/step, 2.29155 hours remaining, 235.875000 MB of memory in use. ENERGY: 2377200 3952.3889 20515.6392 14487.8449 251.4524 -203146.5887 2532.0875 0.0000 0.0000 52244.6495 -109162.5264 300.2507 -161407.1758 -108793.3207 299.9977 -119.7267 -91.8579 763900.4722 -7.2087 -7.0715 PRESSURE: 2377400 133.713 54.7342 -202.829 54.7335 -242.202 158.949 -202.828 158.949 -115.852 GPRESSURE: 2377400 117.481 45.2078 -185.602 -83.3277 -120.466 179.095 -200.707 10.6878 -148.213 PRESSAVG: 2377400 -13.6358 21.4832 -50.5544 21.4832 20.8613 -13.2258 -50.5543 -13.2258 9.23735 GPRESSAVG: 2377400 -14.4843 20.6798 -50.1771 18.9239 22.6651 -14.9077 -50.4596 -10.6139 8.38933 TIMING: 2377400 CPU: 7587.88, 0.00316441/step Wall: 7587.88, 0.00316441/step, 2.30527 hours remaining, 235.875000 MB of memory in use. ENERGY: 2377400 3985.2051 20595.0809 14526.0765 261.9527 -203297.5352 2547.4263 0.0000 0.0000 52245.1723 -109136.6212 300.2537 -161381.7936 -108770.4500 300.0003 -74.7804 -50.3992 762612.2627 5.4876 5.5234 PRESSURE: 2377600 380.273 13.9025 -40.1825 13.9029 426.924 -224.162 -40.1825 -224.161 218.57 GPRESSURE: 2377600 459.327 -40.9077 -56.4435 92.9551 378.415 -160.343 -86.6096 -130.816 268.581 PRESSAVG: 2377600 8.06974 -21.3228 35.1307 -21.3229 -3.93806 -13.2276 35.1306 -13.2275 -3.26014 GPRESSAVG: 2377600 9.95604 -22.3434 34.362 -21.0588 -5.35326 -15.895 35.6469 -12.9868 -3.45333 TIMING: 2377600 CPU: 7588.51, 0.00315238/step Wall: 7588.51, 0.00315238/step, 2.29634 hours remaining, 235.875000 MB of memory in use. ENERGY: 2377600 3942.8478 20697.1143 14504.3908 239.8214 -203448.8455 2853.3752 0.0000 0.0000 51938.8840 -109272.4122 298.4935 -161211.2961 -108916.7582 299.9142 341.9225 368.7744 761699.0754 0.2905 0.3832 PRESSURE: 2377800 -492.297 -65.2371 39.7342 -65.2373 -102.522 2.07616 39.7342 2.07657 -431.371 GPRESSURE: 2377800 -446.239 -55.6819 34.9232 -69.6321 -105.64 -40.3257 189.188 -19.3524 -392.148 PRESSAVG: 2377800 5.74295 -81.5301 -44.0466 -81.5301 -17.6365 5.69614 -44.0466 5.696 8.47917 GPRESSAVG: 2377800 5.85808 -81.3029 -42.4998 -80.1821 -16.8768 9.34508 -42.9925 4.77842 7.78248 TIMING: 2377800 CPU: 7589.15, 0.00315761/step Wall: 7589.15, 0.00315761/step, 2.29997 hours remaining, 235.875000 MB of memory in use. ENERGY: 2377800 4013.9846 20624.6317 14545.4936 243.9851 -203107.6991 2401.7886 0.0000 0.0000 52001.2068 -109276.6088 298.8517 -161277.8156 -108918.9081 299.5451 -342.0633 -314.6756 762979.8211 -1.1381 -1.0787 PRESSURE: 2378000 -201.594 92.3924 132.217 92.3933 -98.4383 -236.517 132.217 -236.518 321.961 GPRESSURE: 2378000 -56.7031 97.6492 102.12 158.335 -162.848 -213.165 92.6787 -184.69 328.342 PRESSAVG: 2378000 7.1704 -52.4593 71.3273 -52.4594 -22.4385 -24.905 71.3274 -24.905 -10.8664 GPRESSAVG: 2378000 6.41232 -54.8224 69.8859 -52.0865 -24.2782 -25.9244 69.7338 -25.252 -8.37419 TIMING: 2378000 CPU: 7589.78, 0.00315345/step Wall: 7589.78, 0.00315345/step, 2.29676 hours remaining, 235.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2378000 4000.7868 20511.8041 14484.4113 240.7869 -203224.2928 2533.6270 0.0000 0.0000 52102.2465 -109350.6303 299.4323 -161452.8767 -108982.6042 299.7017 7.3093 36.2638 761398.3634 -8.7115 -8.7467 PRESSURE: 2378200 -302.333 -359.355 -108.229 -359.355 -108.614 -141.643 -108.23 -141.643 -74.9095 GPRESSURE: 2378200 -258.239 -323.258 -110.979 -224.523 -16.1674 -110.118 -93.5251 -129.039 -142.671 PRESSAVG: 2378200 -61.2645 -45.7754 -52.5787 -45.7754 39.4227 6.38974 -52.5787 6.38979 7.45032 GPRESSAVG: 2378200 -60.7121 -42.4086 -50.8609 -46.0715 41.2427 6.14053 -50.7529 7.88361 5.32712 TIMING: 2378200 CPU: 7590.41, 0.00315345/step Wall: 7590.41, 0.00315345/step, 2.29659 hours remaining, 235.875000 MB of memory in use. ENERGY: 2378200 3929.8769 20647.0645 14488.8478 252.7608 -203109.8997 2402.7699 0.0000 0.0000 52102.2444 -109286.3354 299.4323 -161388.5798 -108913.2552 299.6184 -161.9523 -139.0257 763056.7553 -4.7972 -4.7141 PRESSURE: 2378400 -137.674 -30.5521 34.1927 -30.5526 -59.042 133.98 34.1943 133.979 -100.875 GPRESSURE: 2378400 -60.0448 58.1072 44.5411 -168.664 -24.3063 76.7691 19.5959 148.655 -130.043 PRESSAVG: 2378400 11.5908 -81.4978 -13.1077 -81.4978 10.3972 -0.138449 -13.1076 -0.138392 -16.908 GPRESSAVG: 2378400 11.5067 -83.3326 -15.7999 -81.0342 10.4051 0.00756939 -12.6419 -1.20476 -17.0459 TIMING: 2378400 CPU: 7591.04, 0.00316236/step Wall: 7591.04, 0.00316236/step, 2.3029 hours remaining, 235.875000 MB of memory in use. ENERGY: 2378400 4080.2278 20600.5035 14523.4613 264.4536 -203338.6361 2480.5854 0.0000 0.0000 51912.1124 -109477.2920 298.3396 -161389.4045 -109120.4081 299.6867 -99.1970 -71.4646 760738.0498 1.6933 1.6220 PRESSURE: 2378600 -121.05 -262.278 -101.135 -262.279 241.174 -170.176 -101.135 -170.175 94.0391 GPRESSURE: 2378600 -60.7791 -150.115 -39.4615 -221.352 228.971 -127.836 -69.1597 -25.614 145.187 PRESSAVG: 2378600 16.3401 -51.2018 23.6094 -51.2019 -64.5845 8.4222 23.6094 8.42211 1.22882 GPRESSAVG: 2378600 17.1562 -50.85 24.2526 -52.8395 -64.6737 7.44129 22.7861 8.14253 0.892108 TIMING: 2378600 CPU: 7591.67, 0.00317286/step Wall: 7591.67, 0.00317286/step, 2.31037 hours remaining, 235.875000 MB of memory in use. ENERGY: 2378600 3968.4106 20531.0678 14521.5150 246.4069 -203409.8833 2541.9986 0.0000 0.0000 52069.4796 -109531.0046 299.2440 -161600.4843 -109167.8021 299.2600 71.3879 104.4596 762233.2569 -15.6719 -15.5418 PRESSURE: 2378800 -34.2181 -40.9137 -44.6672 -40.9131 -115.982 -204.042 -44.6677 -204.041 205.078 GPRESSURE: 2378800 4.92168 -117.88 -7.63255 -89.4977 -74.5669 -177.505 -56.8758 -146.053 212.829 PRESSAVG: 2378800 -6.79337 -26.1557 -7.14649 -26.1557 -2.36262 21.7901 -7.14651 21.7901 -1.545 GPRESSAVG: 2378800 -7.55152 -25.6715 -6.39402 -25.4438 -2.51146 22.7427 -7.74444 21.4453 -0.699821 TIMING: 2378800 CPU: 7592.31, 0.00316858/step Wall: 7592.31, 0.00316858/step, 2.30708 hours remaining, 235.875000 MB of memory in use. ENERGY: 2378800 4013.1081 20567.5335 14514.7466 261.1403 -203352.0926 2557.9733 0.0000 0.0000 52173.5004 -109264.0904 299.8418 -161437.5909 -108887.7937 299.6486 18.2926 47.7280 760935.2603 -3.5670 -3.5876 PRESSURE: 2379000 0.59593 105.895 69.2789 105.895 -241.184 -99.2403 69.2788 -99.24 10.9602 GPRESSURE: 2379000 51.1855 -41.0033 27.6692 62.3649 -256.154 -137.986 23.3568 -116.998 48.0097 PRESSAVG: 2379000 60.9221 -41.3011 35.5953 -41.3011 -17.1591 -7.55943 35.5954 -7.55941 -18.2577 GPRESSAVG: 2379000 60.9853 -43.1409 36.3935 -41.8134 -19.2371 -8.16848 36.1078 -8.34473 -16.816 TIMING: 2379000 CPU: 7592.94, 0.00316612/step Wall: 7592.94, 0.00316612/step, 2.30511 hours remaining, 235.875000 MB of memory in use. ENERGY: 2379000 4012.6945 20499.6324 14500.8267 263.8263 -203386.4391 2740.0782 0.0000 0.0000 52194.5279 -109174.8530 299.9627 -161369.3809 -108809.2419 300.0433 -76.5427 -52.3197 762166.3814 8.5018 8.3107 PRESSURE: 2379200 -314.401 -24.8184 -98.4479 -24.8181 -95.7638 -101.509 -98.4478 -101.51 -48.4235 GPRESSURE: 2379200 -90.3189 -60.1812 -179.299 -1.3431 -122.219 -27.2463 19.6116 -165.669 -151.988 PRESSAVG: 2379200 37.81 -18.1325 -18.3299 -18.1325 -48.0695 -46.5359 -18.3299 -46.5359 5.95162 GPRESSAVG: 2379200 39.0755 -17.593 -18.5955 -18.6136 -46.1125 -45.8015 -17.9541 -42.2393 3.74137 TIMING: 2379200 CPU: 7593.57, 0.0031593/step Wall: 7593.57, 0.0031593/step, 2.29997 hours remaining, 235.875000 MB of memory in use. ENERGY: 2379200 4011.6953 20517.9677 14560.2316 254.0248 -203121.5352 2344.8775 0.0000 0.0000 52062.6529 -109370.0855 299.2048 -161432.7384 -109003.9484 299.8998 -152.8629 -121.5086 762182.8168 -1.4360 -1.0985 PRESSURE: 2379400 -52.5596 37.6508 -86.0036 37.6506 -64.1606 145.294 -86.0026 145.294 -243.7 GPRESSURE: 2379400 -80.3691 -8.28886 -20.7002 28.1559 -34.8163 68.7787 -59.8827 -37.9832 -177.127 PRESSAVG: 2379400 67.6561 -58.9974 -30.1694 -58.9974 -12.4395 0.140943 -30.1694 0.14096 -3.36437 GPRESSAVG: 2379400 67.1276 -56.8955 -30.2497 -59.6866 -13.1914 -0.500562 -30.7406 -3.56914 -2.53878 TIMING: 2379400 CPU: 7594.21, 0.00316809/step Wall: 7594.21, 0.00316809/step, 2.3062 hours remaining, 235.875000 MB of memory in use. ENERGY: 2379400 3911.1080 20649.4965 14517.0567 246.7665 -203521.3937 2732.5176 0.0000 0.0000 52015.5347 -109448.9136 298.9340 -161464.4483 -109081.9137 299.2212 -120.1400 -97.4375 761357.5494 17.2841 17.1325 PRESSURE: 2379600 256.086 -72.2685 -52.5982 -72.2679 331.569 107.832 -52.5977 107.831 65.3317 GPRESSURE: 2379600 290.978 17.6823 -84.1268 -111.969 472.82 -1.38653 0.685875 83.876 -3.29349 PRESSAVG: 2379600 -45.6999 -96.5097 31.5689 -96.5097 64.8068 -10.1013 31.5688 -10.1014 -32.2168 GPRESSAVG: 2379600 -45.9965 -96.0289 31.3174 -92.6832 65.7847 -11.4719 28.4189 -11.6385 -32.9322 TIMING: 2379600 CPU: 7594.84, 0.0031651/step Wall: 7594.84, 0.0031651/step, 2.30384 hours remaining, 235.875000 MB of memory in use. ENERGY: 2379600 4008.0150 20399.4408 14552.1931 263.1084 -203555.4516 2911.4234 0.0000 0.0000 52019.0218 -109402.2492 298.9540 -161421.2710 -109036.3047 299.6576 217.6623 253.5018 760688.6882 -4.3700 -4.3813 PRESSURE: 2379800 -57.9272 28.643 22.45 28.6428 17.665 84.9349 22.4499 84.9354 -296.388 GPRESSURE: 2379800 -83.1056 38.7618 -31.3607 -69.5361 75.9045 118.766 102.015 89.3312 -256.891 PRESSAVG: 2379800 1.60815 -92.5256 -27.779 -92.5255 54.8933 -11.601 -27.779 -11.601 -0.123192 GPRESSAVG: 2379800 0.00178975 -94.0879 -28.094 -94.7675 55.935 -10.0388 -25.4354 -10.7586 0.236462 TIMING: 2379800 CPU: 7595.47, 0.00317108/step Wall: 7595.47, 0.00317108/step, 2.30802 hours remaining, 235.875000 MB of memory in use. ENERGY: 2379800 3981.2040 20605.1891 14457.6401 266.8759 -203151.1270 2412.0680 0.0000 0.0000 51978.4838 -109449.6661 298.7211 -161428.1499 -109078.7136 299.0113 -112.2169 -88.0306 761612.2360 18.7927 18.7244 PRESSURE: 2380000 192.321 -180.14 -181.554 -180.14 -2.33988 -161.728 -181.554 -161.727 206.99 GPRESSURE: 2380000 272.795 -55.8325 -87.9222 -150.038 28.2004 -220.954 -242.673 -66.4895 176.726 PRESSAVG: 2380000 -7.01638 -96.2862 -21.2965 -96.2862 10.0692 -6.79759 -21.2966 -6.79764 16.2955 GPRESSAVG: 2380000 -6.66361 -96.1495 -18.3241 -96.0068 9.36728 -5.91091 -21.6665 -5.58357 17.169 TIMING: 2380000 CPU: 7596.11, 0.00315345/step Wall: 7596.11, 0.00315345/step, 2.29501 hours remaining, 235.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2380000 3953.9334 20610.6681 14485.1327 252.0759 -203477.6856 2623.4618 0.0000 0.0000 52115.4260 -109436.9878 299.5081 -161552.4138 -109061.6914 299.1516 132.3235 159.2402 760517.3009 6.4494 6.6242 PRESSURE: 2380200 219.901 43.9639 69.2863 43.9638 -12.9717 -3.76445 69.287 -3.76544 221.861 GPRESSURE: 2380200 276.273 35.029 39.6755 12.6178 -22.7183 25.1517 5.41128 97.3419 267.607 PRESSAVG: 2380200 36.6933 -65.5487 -20.6168 -65.5487 -49.4598 -47.8307 -20.6169 -47.8307 -0.364741 GPRESSAVG: 2380200 38.2089 -66.4995 -22.2154 -64.4285 -50.7556 -48.4566 -19.9703 -49.1281 -0.57578 TIMING: 2380200 CPU: 7596.74, 0.00316036/step Wall: 7596.74, 0.00316036/step, 2.29987 hours remaining, 235.875000 MB of memory in use. ENERGY: 2380200 3958.3174 20648.9910 14522.5599 227.6235 -203822.3407 2759.8001 0.0000 0.0000 52147.4503 -109557.5985 299.6921 -161705.0488 -109184.4703 299.7996 142.9301 173.7208 760228.0133 -4.3771 -4.3742 LDB: ============= START OF LOAD BALANCING ============== 7609.16 LDB: ============== END OF LOAD BALANCING =============== 7609.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.16 LDB: ============= START OF LOAD BALANCING ============== 7609.48 LDB: Largest compute 7069 load 0.036981 is 18.9% of average load 0.195531 LDB: Average compute 0.004401 is 2.3% of average load 0.195531 LDB: TIME 7609.48 LOAD: AVG 0.195531 MAX 0.212915 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.43 MB LDB: TIME 7609.48 LOAD: AVG 0.195531 MAX 0.212915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.434 MB LDB: TIME 7609.48 LOAD: AVG 0.195531 MAX 0.212915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.434 MB LDB: ============== END OF LOAD BALANCING =============== 7609.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.49 PRESSURE: 2380400 266.747 81.297 -61.7135 81.2967 -417.766 -55.2383 -61.7136 -55.2378 -126.484 GPRESSURE: 2380400 169.303 23.3 27.7965 9.15237 -319.082 26.9203 -81.1292 -179.17 -41.715 PRESSAVG: 2380400 9.78824 16.2868 -11.9607 16.2867 -42.9834 -42.269 -11.9607 -42.2691 11.4128 GPRESSAVG: 2380400 8.50647 16.5582 -12.1117 15.6196 -42.1668 -41.4891 -11.09 -39.9886 12.1153 TIMING: 2380400 CPU: 7597.38, 0.00321899/step Wall: 7597.38, 0.00321899/step, 2.34235 hours remaining, 234.328125 MB of memory in use. ENERGY: 2380400 4038.9924 20667.1622 14474.2233 233.5097 -203886.4913 2781.7788 0.0000 0.0000 51912.4864 -109778.3386 298.3418 -161690.8250 -109417.8457 299.2132 -92.5009 -63.8312 759043.6539 -7.2608 -7.1817 PRESSURE: 2380600 -231.95 -47.6289 -47.2532 -47.6288 -81.8141 169.045 -47.2537 169.045 -107.261 GPRESSURE: 2380600 -110.388 65.6584 14.8323 -83.5074 -113.921 199.643 -100.946 103.756 -99.3874 PRESSAVG: 2380600 20.2671 -19.3463 -9.95662 -19.3463 -3.99448 -36.2636 -9.95663 -36.2636 29.3156 GPRESSAVG: 2380600 20.7319 -18.8175 -9.36228 -18.956 -3.43791 -37.8875 -12.4903 -38.3697 28.3998 TIMING: 2380600 CPU: 7598.02, 0.00318855/step Wall: 7598.02, 0.00318855/step, 2.32002 hours remaining, 234.328125 MB of memory in use. ENERGY: 2380600 3971.1779 20449.9134 14431.7016 233.7122 -202949.4578 2372.2470 0.0000 0.0000 51805.2794 -109685.4263 297.7257 -161490.7057 -109327.2083 298.8379 -140.3417 -107.8988 760951.9194 15.1961 15.2313 PRESSURE: 2380800 -62.2064 -371.459 197.071 -371.458 208.452 164.586 197.071 164.586 -0.314632 GPRESSURE: 2380800 -47.7543 -300.685 129.754 -296.497 215.071 185.206 188.356 30.1522 41.2653 PRESSAVG: 2380800 4.90484 -103.491 -24.2801 -103.491 -11.5271 -14.1012 -24.2801 -14.1012 7.42722 GPRESSAVG: 2380800 3.99347 -103.419 -26.7565 -102.479 -10.3006 -13.8013 -22.9179 -13.9976 6.97331 TIMING: 2380800 CPU: 7598.65, 0.00316451/step Wall: 7598.65, 0.00316451/step, 2.30236 hours remaining, 234.328125 MB of memory in use. ENERGY: 2380800 3992.9816 20432.6380 14464.0348 257.3318 -203253.4447 2578.2359 0.0000 0.0000 52068.4246 -109459.7980 299.2380 -161528.2226 -109105.5926 299.1048 48.6436 69.5274 761016.9793 0.2683 0.2221 PRESSURE: 2381000 -121.585 246.3 -56.488 246.301 -165.748 -184.487 -56.4883 -184.487 -315.789 GPRESSURE: 2381000 -111.905 101.45 -22.5081 256.508 -130.588 -178.223 11.9386 -210.45 -283.925 PRESSAVG: 2381000 65.0785 -57.3924 -8.49258 -57.3923 -46.7666 -54.909 -8.49253 -54.9091 -4.61716 GPRESSAVG: 2381000 66.014 -57.5233 -7.32538 -57.2545 -47.8947 -53.6954 -9.29705 -55.4279 -4.79375 TIMING: 2381000 CPU: 7599.28, 0.00316709/step Wall: 7599.28, 0.00316709/step, 2.30406 hours remaining, 234.328125 MB of memory in use. ENERGY: 2381000 4009.1711 20417.6791 14518.4028 259.4453 -203497.5584 2406.3332 0.0000 0.0000 52198.9634 -109687.5634 299.9882 -161886.5268 -109323.6632 299.5272 -201.0409 -175.4725 760498.0966 4.5649 4.4419 PRESSURE: 2381200 398.409 156.703 -179.343 156.702 192.932 91.5957 -179.343 91.5956 164.73 GPRESSURE: 2381200 452.226 150.514 -170.391 131.111 266.916 177.649 -204.35 107.746 134.721 PRESSAVG: 2381200 13.8562 -58.8789 -48.8698 -58.879 -40.1599 26.815 -48.8698 26.815 -12.7056 GPRESSAVG: 2381200 13.4381 -58.3849 -49.1604 -62.1227 -39.0293 25.5784 -46.1801 27.7155 -13.6277 TIMING: 2381200 CPU: 7599.91, 0.00314069/step Wall: 7599.91, 0.00314069/step, 2.28468 hours remaining, 234.328125 MB of memory in use. ENERGY: 2381200 3987.7639 20445.4206 14501.9408 228.3711 -203695.0210 2993.3160 0.0000 0.0000 51878.6130 -109659.5956 298.1471 -161538.2086 -109303.0129 298.7722 252.0237 284.6209 759834.7092 -13.0031 -13.0730 PRESSURE: 2381400 80.8909 -195.627 253.011 -195.627 58.0807 25.5639 253.011 25.5631 261.931 GPRESSURE: 2381400 59.3145 -264.622 291.357 -224.986 143.8 132.593 72.4624 73.2129 263.399 PRESSAVG: 2381400 57.3364 -98.8207 3.42346 -98.8208 -20.6761 31.9935 3.42341 31.9934 9.43681 GPRESSAVG: 2381400 58.0219 -100.367 3.23519 -96.1362 -20.9206 32.7551 1.28811 33.2349 9.74097 TIMING: 2381400 CPU: 7600.54, 0.00315173/step Wall: 7600.54, 0.00315173/step, 2.29253 hours remaining, 234.328125 MB of memory in use. ENERGY: 2381400 3941.0506 20497.0077 14506.4615 251.1660 -203542.3824 2725.9091 0.0000 0.0000 52116.1565 -109504.6310 299.5123 -161620.7875 -109144.6461 299.0123 133.6341 155.5042 760447.9075 15.3657 15.6141 PRESSURE: 2381600 -135.404 -91.2147 -170.919 -91.2134 8.50681 97.3703 -170.918 97.3717 134.675 GPRESSURE: 2381600 -88.0651 -8.06482 -140.952 -44.9572 56.0946 91.184 -227.207 101.478 124.442 PRESSAVG: 2381600 -11.5483 -50.5285 -62.9058 -50.5285 32.0061 -22.0114 -62.9058 -22.0113 -29.249 GPRESSAVG: 2381600 -11.7514 -48.8253 -63.082 -51.7785 31.8194 -22.5519 -61.4958 -24.3342 -28.8367 TIMING: 2381600 CPU: 7601.18, 0.0031683/step Wall: 7601.18, 0.0031683/step, 2.30441 hours remaining, 234.328125 MB of memory in use. ENERGY: 2381600 4088.7624 20454.5471 14486.4534 258.4311 -203343.8556 2700.3445 0.0000 0.0000 52074.1491 -109281.1680 299.2709 -161355.3170 -108920.3884 299.8779 2.5925 30.8239 761594.4532 -2.9304 -2.9229 PRESSURE: 2381800 -371.263 -78.998 147.738 -78.9977 -306.852 -87.2369 147.739 -87.2372 -384.704 GPRESSURE: 2381800 -350.781 0.298995 178.511 -44.6315 -245.486 -143.432 24.9617 85.6561 -389.52 PRESSAVG: 2381800 37.0255 -13.236 -17.9935 -13.2361 -49.3683 3.87091 -17.9935 3.871 2.18719 GPRESSAVG: 2381800 36.5502 -12.4831 -17.8496 -12.4874 -48.6805 3.7181 -18.4491 4.66055 1.49313 TIMING: 2381800 CPU: 7601.81, 0.00314489/step Wall: 7601.81, 0.00314489/step, 2.28721 hours remaining, 234.328125 MB of memory in use. ENERGY: 2381800 4036.4454 20620.9938 14536.0695 262.3919 -203438.5001 2451.7452 0.0000 0.0000 52302.7145 -109228.1397 300.5844 -161530.8543 -108861.8188 300.2479 -354.2730 -328.5955 762453.0551 -3.3852 -3.5457 PRESSURE: 2382000 -114.492 -112.839 103.227 -112.838 322.951 -128.218 103.226 -128.218 351.346 GPRESSURE: 2382000 -23.8831 -153.519 103.31 -171.464 300.746 -172.42 152.012 -142.732 369.553 PRESSAVG: 2382000 42.5101 -27.9872 -21.4353 -27.9872 -45.0232 43.0388 -21.4353 43.0387 -9.79276 GPRESSAVG: 2382000 42.9264 -28.1417 -20.9911 -27.2574 -45.7612 43.6926 -22.6917 45.2449 -9.16915 TIMING: 2382000 CPU: 7602.44, 0.00316591/step Wall: 7602.44, 0.00316591/step, 2.30232 hours remaining, 234.328125 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: 2382000 4027.2849 20583.3997 14584.5768 232.5508 -203882.9889 3106.2186 0.0000 0.0000 52048.0382 -109300.9200 299.1208 -161348.9581 -108937.3048 300.0687 186.6017 215.4722 758881.4361 -4.1019 -4.0013 PRESSURE: 2382200 -60.6782 -55.1373 -137.386 -55.1379 -128.464 216.772 -137.385 216.772 225.101 GPRESSURE: 2382200 56.286 -27.9334 -55.8192 -103.612 -172.794 242.285 -105.268 94.8053 219.648 PRESSAVG: 2382200 27.8855 -32.7836 5.36742 -32.7835 -71.3095 14.5074 5.36747 14.5074 21.0598 GPRESSAVG: 2382200 28.1431 -36.5792 5.81647 -32.3771 -72.8655 12.8372 9.33978 14.3547 22.0628 TIMING: 2382200 CPU: 7603.07, 0.00314925/step Wall: 7603.07, 0.00314925/step, 2.29003 hours remaining, 234.328125 MB of memory in use. ENERGY: 2382200 4024.8527 20433.5278 14433.3282 245.5838 -202839.0995 2272.6886 0.0000 0.0000 52125.7087 -109303.4097 299.5672 -161429.1184 -108930.6266 299.3347 11.9861 34.3801 761871.9862 -7.4547 -7.5532 PRESSURE: 2382400 349.806 139.365 16.7279 139.366 -91.8814 -115.512 16.7273 -115.512 14.2795 GPRESSURE: 2382400 330.72 123.422 64.5448 217.357 12.2867 -39.053 -101.525 -114.349 22.0666 PRESSAVG: 2382400 8.2321 -11.3088 -4.10924 -11.3088 -57.1461 -34.1805 -4.10922 -34.1805 -27.9671 GPRESSAVG: 2382400 7.05288 -9.66123 -4.96387 -12.2796 -55.4855 -32.8656 -5.00191 -34.0956 -28.4468 TIMING: 2382400 CPU: 7603.71, 0.00319489/step Wall: 7603.71, 0.00319489/step, 2.32304 hours remaining, 234.328125 MB of memory in use. ENERGY: 2382400 4034.3072 20449.9609 14442.8316 241.4751 -203000.1804 2497.2050 0.0000 0.0000 52022.1754 -109312.2251 298.9722 -161334.4005 -108950.1616 299.0798 90.7346 121.6912 760904.8264 -25.6270 -25.6265 PRESSURE: 2382600 119.101 59.9396 -3.33426 59.9397 -106.702 -268.507 -3.33247 -268.507 153.573 GPRESSURE: 2382600 183.291 68.2846 21.6532 99.4861 -109.538 -274.872 -87.1723 -318.208 186.86 PRESSAVG: 2382600 42.0894 -51.7044 36.7631 -51.7043 -20.9187 8.49409 36.763 8.49404 -17.8326 GPRESSAVG: 2382600 41.1294 -50.816 39.1105 -53.0794 -20.2564 7.92649 35.4207 7.78149 -17.6723 TIMING: 2382600 CPU: 7604.34, 0.00316943/step Wall: 7604.34, 0.00316943/step, 2.30435 hours remaining, 234.328125 MB of memory in use. ENERGY: 2382600 3989.4280 20538.2721 14529.6382 255.4994 -203015.9957 2402.4727 0.0000 0.0000 52162.3908 -109138.2945 299.7780 -161300.6852 -108779.8188 299.7129 55.3238 86.8711 761499.8110 1.1127 1.0669 PRESSURE: 2382800 658.537 -36.4379 -103.476 -36.4372 54.9599 -94.2459 -103.476 -94.2461 281.313 GPRESSURE: 2382800 605.835 -34.1741 -148.207 -100.011 216.901 -33.4715 -120.114 -88.3408 265.565 PRESSAVG: 2382800 -29.5572 -66.8003 7.22242 -66.8003 -26.9219 -8.62883 7.22242 -8.62886 3.15289 GPRESSAVG: 2382800 -27.8488 -67.4678 4.39904 -65.7111 -28.0387 -7.94646 6.09576 -9.17941 2.75772 TIMING: 2382800 CPU: 7604.97, 0.00315408/step Wall: 7604.97, 0.00315408/step, 2.29301 hours remaining, 234.328125 MB of memory in use. ENERGY: 2382800 3946.6357 20493.3062 14516.2508 230.1394 -203339.6304 2739.8395 0.0000 0.0000 52175.5935 -109237.8653 299.8539 -161413.4588 -108875.5927 299.7075 331.6033 362.7671 761675.1825 -17.7754 -17.7099 PRESSURE: 2383000 -57.5193 111.498 -139.459 111.498 21.5416 106.237 -139.459 106.237 55.0208 GPRESSURE: 2383000 17.5513 126.828 -144.008 34.1557 -6.16532 65.7151 -146.657 186.722 96.1347 PRESSAVG: 2383000 65.1301 -28.1651 -65.7151 -28.1651 -69.6324 1.58019 -65.7151 1.58029 23.687 GPRESSAVG: 2383000 64.9219 -29.1652 -63.6476 -28.0698 -69.2932 -0.427785 -65.0587 4.13876 23.5826 TIMING: 2383000 CPU: 7605.6, 0.00315251/step Wall: 7605.6, 0.00315251/step, 2.2917 hours remaining, 234.328125 MB of memory in use. ENERGY: 2383000 3980.5669 20421.1986 14453.3234 256.0474 -203639.8226 2813.8137 0.0000 0.0000 52421.3185 -109293.5540 301.2660 -161714.8724 -108923.1548 300.3211 6.3477 35.8402 761574.2464 6.3949 6.4038 PRESSURE: 2383200 -100.048 -126.262 233.355 -126.262 387.517 101.752 233.355 101.753 192.306 GPRESSURE: 2383200 -9.40522 -88.8991 185.814 3.97576 416.074 100.287 106.246 65.3986 184.105 PRESSAVG: 2383200 34.2456 -41.7661 28.2153 -41.7661 -58.1531 17.9959 28.2154 17.9959 29.4792 GPRESSAVG: 2383200 34.5799 -41.4746 25.2761 -41.9247 -58.0296 18.3977 29.4437 19.2279 28.5548 TIMING: 2383200 CPU: 7606.24, 0.00317299/step Wall: 7606.24, 0.00317299/step, 2.30641 hours remaining, 234.328125 MB of memory in use. ENERGY: 2383200 3995.8091 20477.4885 14462.5518 259.1780 -203275.6605 2762.9170 0.0000 0.0000 52213.2938 -109104.4222 300.0705 -161317.7161 -108737.7243 300.1150 159.9251 196.9245 761588.8753 1.8572 1.7017 PRESSURE: 2383400 308.967 171.577 -59.2634 171.577 170.166 8.71886 -59.2637 8.72005 153.688 GPRESSURE: 2383400 309.236 175.563 9.48333 197.062 257.103 1.71751 131.333 68.2268 158.75 PRESSAVG: 2383400 -41.3512 -27.4969 27.0975 -27.4968 26.3203 46.0713 27.0975 46.0713 -16.7645 GPRESSAVG: 2383400 -43.1646 -27.0805 29.6192 -27.5379 27.2756 48.7725 27.5163 41.6492 -15.8129 TIMING: 2383400 CPU: 7606.87, 0.00317159/step Wall: 7606.87, 0.00317159/step, 2.30522 hours remaining, 234.328125 MB of memory in use. ENERGY: 2383400 3926.5973 20473.0501 14479.9776 251.0596 -203532.0257 2710.9070 0.0000 0.0000 52432.9722 -109257.4619 301.3330 -161690.4342 -108896.8606 300.3041 210.9402 241.6964 761790.4547 -10.5984 -10.5673 PRESSURE: 2383600 -20.7993 116.186 143.552 116.186 121.116 67.4115 143.552 67.4122 3.13832 GPRESSURE: 2383600 112.119 -53.083 177.492 132.565 86.7777 51.7875 78.3624 -5.68092 -9.26632 PRESSAVG: 2383600 43.5887 28.349 13.8927 28.349 -22.4954 32.6561 13.8926 32.6561 0.620766 GPRESSAVG: 2383600 43.8946 25.4464 13.5001 28.6882 -22.5076 31.977 12.9608 32.62 0.775244 TIMING: 2383600 CPU: 7607.51, 0.00317082/step Wall: 7607.51, 0.00317082/step, 2.30448 hours remaining, 234.328125 MB of memory in use. ENERGY: 2383600 3969.0041 20582.3526 14477.3980 238.7445 -203737.9245 2801.1688 0.0000 0.0000 52474.6335 -109194.6230 301.5724 -161669.2565 -108828.0280 300.2304 34.4848 63.2102 760866.3647 7.2380 7.3874 PRESSURE: 2383800 -83.0851 40.5275 -15.5329 40.5281 -281.853 199.031 -15.5336 199.031 -143.565 GPRESSURE: 2383800 24.7863 96.0611 -86.8648 26.8181 -334.172 152.569 -63.714 199.99 -125.243 PRESSAVG: 2383800 22.6603 22.5847 17.2887 22.5847 -5.40163 -22.983 17.2887 -22.9831 -8.02589 GPRESSAVG: 2383800 24.8308 25.4544 14.4251 22.0328 -7.84456 -23.0437 18.4972 -21.7126 -8.50055 TIMING: 2383800 CPU: 7608.15, 0.00320378/step Wall: 7608.15, 0.00320378/step, 2.32826 hours remaining, 234.328125 MB of memory in use. ENERGY: 2383800 3968.1702 20498.7208 14534.7068 261.6114 -203675.5367 2658.4882 0.0000 0.0000 52320.0524 -109433.7869 300.6841 -161753.8393 -109069.6116 299.9556 -169.5008 -144.8765 760921.6149 3.0776 2.8286 PRESSURE: 2384000 -73.4957 -76.9538 -14.9829 -76.9548 -29.4146 129.925 -14.9832 129.925 -130.643 GPRESSURE: 2384000 28.1514 -160.188 -70.4437 -96.3209 -18.4582 122.195 100.464 190.875 -144.528 PRESSAVG: 2384000 -17.0536 -78.4088 -2.25775 -78.4089 13.0949 -14.1749 -2.25767 -14.1749 5.20309 GPRESSAVG: 2384000 -18.122 -78.745 1.57093 -79.3615 13.698 -15.2206 -3.20518 -14.2038 6.10717 TIMING: 2384000 CPU: 7608.78, 0.00316204/step Wall: 7608.78, 0.00316204/step, 2.29775 hours remaining, 234.328125 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: 2384000 3979.9834 20471.3831 14526.0684 273.9617 -203452.7375 2562.5288 0.0000 0.0000 51912.6414 -109726.1707 298.3427 -161638.8121 -109367.7033 299.4443 -77.8511 -44.9450 760528.4929 0.4148 0.5611 PRESSURE: 2384200 -199.234 -2.86187 -50.2072 -2.8619 -253.207 -137.804 -50.2065 -137.804 182.64 GPRESSURE: 2384200 -171.505 5.12394 -40.8629 91.5701 -169.973 -178.827 -207.346 -125.757 155.979 PRESSAVG: 2384200 -7.363 -60.5539 20.6456 -60.5539 44.6219 -8.94906 20.6456 -8.94905 -12.0509 GPRESSAVG: 2384200 -7.05459 -62.2945 19.5777 -56.4124 44.863 -8.50626 18.9575 -7.54212 -12.955 TIMING: 2384200 CPU: 7609.42, 0.00317831/step Wall: 7609.42, 0.00317831/step, 2.30939 hours remaining, 234.328125 MB of memory in use. ENERGY: 2384200 4019.1800 20499.6674 14460.1332 235.4442 -203649.0059 2572.0466 0.0000 0.0000 52009.8883 -109852.6461 298.9015 -161862.5344 -109488.1128 298.8780 -89.9339 -61.8330 763170.1969 8.4027 8.2845 LDB: ============= START OF LOAD BALANCING ============== 7621.84 LDB: ============== END OF LOAD BALANCING =============== 7621.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.84 LDB: ============= START OF LOAD BALANCING ============== 7622.16 LDB: Largest compute 7025 load 0.037050 is 19.0% of average load 0.195477 LDB: Average compute 0.004418 is 2.3% of average load 0.195477 LDB: TIME 7622.16 LOAD: AVG 0.195477 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.594 MB LDB: TIME 7622.16 LOAD: AVG 0.195477 MAX 0.21325 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: TIME 7622.16 LOAD: AVG 0.195477 MAX 0.21325 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: ============== END OF LOAD BALANCING =============== 7622.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.17 PRESSURE: 2384400 -169.18 18.3767 -141.336 18.3774 429.655 -49.5929 -141.335 -49.5925 273.995 GPRESSURE: 2384400 -121.699 -25.6468 -127.252 39.4901 394.9 -125.08 -74.0718 39.3079 334.857 PRESSAVG: 2384400 -6.41052 -34.7656 -38.8194 -34.7655 76.3162 -6.08121 -38.8194 -6.08129 -37.3634 GPRESSAVG: 2384400 -6.51023 -35.1469 -39.2716 -36.1928 76.4109 -5.72291 -37.6853 -8.52795 -37.4853 TIMING: 2384400 CPU: 7610.06, 0.00322261/step Wall: 7610.06, 0.00322261/step, 2.3414 hours remaining, 232.082031 MB of memory in use. ENERGY: 2384400 3946.1319 20432.4259 14534.0150 243.3931 -203855.6149 2832.0156 0.0000 0.0000 51987.9894 -109879.6439 298.7757 -161867.6333 -109519.8876 298.8037 178.1565 202.6859 759775.1864 10.8474 10.8051 PRESSURE: 2384600 311.729 -3.87341 -174.507 -3.87332 114.808 247.926 -174.506 247.925 -63.8136 GPRESSURE: 2384600 263.741 96.9208 -205.479 -140.71 104.948 323.695 -243.832 307.748 74.2836 PRESSAVG: 2384600 -8.75882 -53.6259 -3.74251 -53.6259 -0.243124 -5.93328 -3.74253 -5.93332 -2.68225 GPRESSAVG: 2384600 -8.19008 -52.6459 -3.05273 -55.7183 -1.13356 -5.3738 -5.20494 -4.54839 -2.32204 TIMING: 2384600 CPU: 7610.69, 0.00316932/step Wall: 7610.69, 0.00316933/step, 2.30252 hours remaining, 232.343750 MB of memory in use. ENERGY: 2384600 3980.4013 20523.1762 14522.1777 247.1594 -204104.9983 2811.5915 0.0000 0.0000 52168.3382 -109852.1539 299.8122 -162020.4921 -109495.7813 298.9298 120.9078 147.6576 759660.8338 -3.8947 -3.8819 PRESSURE: 2384800 -84.3878 -198.59 -248.208 -198.59 -184.298 15.545 -248.207 15.545 -138.432 GPRESSURE: 2384800 -66.8936 -158.544 -210.583 -152.108 -74.6175 110.177 -163.349 32.7502 -186.016 PRESSAVG: 2384800 -23.402 -33.9018 -28.4635 -33.9019 -16.35 45.6542 -28.4635 45.6543 11.4548 GPRESSAVG: 2384800 -23.4995 -35.9776 -29.2156 -32.2281 -14.57 44.589 -26.4101 46.5468 10.6737 TIMING: 2384800 CPU: 7611.33, 0.00315889/step Wall: 7611.33, 0.00315889/step, 2.29476 hours remaining, 232.343750 MB of memory in use. ENERGY: 2384800 3985.4138 20459.5831 14487.1372 222.5417 -203573.8255 2672.3530 0.0000 0.0000 51899.4561 -109847.3406 298.2669 -161746.7967 -109488.4562 298.6052 -135.7060 -109.1758 763779.3743 -9.4324 -9.1319 PRESSURE: 2385000 -37.06 -159.51 257.635 -159.51 324.144 34.4128 257.635 34.4127 248.084 GPRESSURE: 2385000 53.912 -180.899 266.951 -67.7195 243.606 9.54634 189.807 -106.451 320.543 PRESSAVG: 2385000 -42.9673 13.651 -61.1364 13.651 -30.9076 -58.7013 -61.1364 -58.7013 -23.3971 GPRESSAVG: 2385000 -42.8087 14.4518 -61.9401 12.4827 -30.9008 -58.9468 -60.9484 -60.6734 -23.6612 TIMING: 2385000 CPU: 7611.95, 0.00314332/step Wall: 7611.95, 0.00314332/step, 2.28328 hours remaining, 232.343750 MB of memory in use. ENERGY: 2385000 4025.8914 20550.4918 14413.1870 241.0031 -204051.7009 2895.0217 0.0000 0.0000 51939.8466 -109986.2593 298.4990 -161926.1059 -109632.4751 298.7497 178.3893 206.0205 761738.2307 -32.4240 -32.4569 PRESSURE: 2385200 -303.466 -171.901 -62.121 -171.901 -148.874 -172.326 -62.1205 -172.326 -82.9811 GPRESSURE: 2385200 -313.806 -225.71 34.3723 -150.536 -88.2574 -197.587 -101.813 -205.676 -48.5368 PRESSAVG: 2385200 10.4595 -59.9709 25.8106 -59.9708 46.8241 -2.88565 25.8106 -2.88564 -4.24369 GPRESSAVG: 2385200 10.4442 -59.7225 25.0232 -59.4782 46.4299 -3.45736 25.8292 -2.53742 -3.62237 TIMING: 2385200 CPU: 7612.58, 0.00313777/step Wall: 7612.58, 0.00313777/step, 2.27907 hours remaining, 232.343750 MB of memory in use. ENERGY: 2385200 4041.3153 20456.6235 14500.3378 248.4273 -203710.6262 2837.3657 0.0000 0.0000 52056.0270 -109570.5295 299.1667 -161626.5566 -109210.7375 299.2773 -178.4401 -150.2002 761970.1778 17.6800 17.7506 PRESSURE: 2385400 128.638 -16.8877 -62.0069 -16.8874 -227.547 -30.1167 -62.0069 -30.1174 -155.463 GPRESSURE: 2385400 91.522 -15.8276 -169.398 -4.22513 -153.261 -73.8221 -35.7163 122.812 -98.7667 PRESSAVG: 2385400 -15.8625 -57.3951 23.5942 -57.3951 -2.32921 -55.0832 23.5942 -55.0832 -6.45861 GPRESSAVG: 2385400 -18.398 -56.5511 23.6271 -57.8298 -1.2283 -55.1324 24.1836 -53.9364 -5.42526 TIMING: 2385400 CPU: 7613.22, 0.00318335/step Wall: 7613.22, 0.00318335/step, 2.312 hours remaining, 232.343750 MB of memory in use. ENERGY: 2385400 3965.0063 20414.8239 14513.1493 259.9736 -203336.4807 2357.4219 0.0000 0.0000 52028.6075 -109797.4983 299.0091 -161826.1059 -109439.2979 299.3576 -84.7902 -53.5020 762286.8793 -8.2168 -8.3505 PRESSURE: 2385600 -144.947 88.2848 130.262 88.2849 -58.077 -234.051 130.261 -234.051 -125.03 GPRESSURE: 2385600 -87.7294 61.8625 141.807 -5.97214 -32.1777 -152.274 205.906 -288.867 -80.1167 PRESSAVG: 2385600 7.32002 -35.0159 -37.4778 -35.0159 17.4642 -32.7206 -37.4778 -32.7206 -2.15458 GPRESSAVG: 2385600 10.2332 -34.3193 -35.1434 -34.2379 15.0748 -30.1445 -39.5792 -34.1395 -3.0439 TIMING: 2385600 CPU: 7613.86, 0.00318816/step Wall: 7613.86, 0.00318816/step, 2.31531 hours remaining, 232.343750 MB of memory in use. ENERGY: 2385600 4034.9269 20396.7354 14515.0710 247.7992 -203079.8578 2320.7784 0.0000 0.0000 51974.3575 -109590.1894 298.6973 -161564.5469 -109221.0679 299.4304 -109.3513 -66.6746 760554.5103 7.5432 7.4213 PRESSURE: 2385800 34.4491 125.532 84.1243 125.53 -162.103 -207.033 84.1231 -207.034 50.8323 GPRESSURE: 2385800 -0.104033 96.6663 70.2558 -45.2695 -55.8258 -254.419 -22.1496 -78.2024 62.8324 PRESSAVG: 2385800 -36.4132 -4.44085 17.7939 -4.44082 39.9496 -38.1701 17.7938 -38.1702 15.2102 GPRESSAVG: 2385800 -36.535 -6.00265 19.048 -4.72103 40.2959 -38.7808 17.5598 -36.0524 15.1037 TIMING: 2385800 CPU: 7614.5, 0.00320252/step Wall: 7614.5, 0.00320252/step, 2.32556 hours remaining, 232.343750 MB of memory in use. ENERGY: 2385800 3862.9902 20614.2520 14432.2777 263.8752 -203169.7980 2200.8380 0.0000 0.0000 52302.5311 -109493.0338 300.5834 -161795.5649 -109122.1242 299.6710 -25.6072 2.3009 759403.4902 6.2489 6.2882 PRESSURE: 2386000 -424.17 209.037 -95.373 209.037 75.7291 -52.0597 -95.3737 -52.0603 188.077 GPRESSURE: 2386000 -295.437 235.617 -93.983 219.576 83.4581 -58.0828 -55.9484 -110.635 128.053 PRESSAVG: 2386000 -14.6821 -7.33748 34.3199 -7.33748 19.8736 -55.8033 34.3198 -55.8033 -4.28082 GPRESSAVG: 2386000 -15.1613 -7.63989 31.8641 -9.46289 21.2167 -56.9033 35.6378 -56.3964 -5.10923 TIMING: 2386000 CPU: 7615.13, 0.00318677/step Wall: 7615.13, 0.00318677/step, 2.31395 hours remaining, 232.343750 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: 2386000 3941.9897 20657.1660 14431.2749 251.0818 -203394.7902 2362.6666 0.0000 0.0000 52222.0387 -109528.5724 300.1208 -161750.6111 -109154.9210 300.0352 -53.4546 -27.9752 760161.1334 0.3036 0.3154 PRESSURE: 2386200 256.371 -221.468 -5.98781 -221.467 163.785 105.979 -5.98823 105.979 -22.881 GPRESSURE: 2386200 336.675 -245.292 19.5225 -123.111 156.574 93.8029 -6.19563 43.6343 -15.2223 PRESSAVG: 2386200 44.3541 9.58553 -12.6545 9.58553 -9.6147 19.2903 -12.6545 19.2903 -7.23197 GPRESSAVG: 2386200 44.7979 11.3156 -12.8807 13.2103 -10.5315 19.4187 -11.4779 19.6345 -6.87829 TIMING: 2386200 CPU: 7615.77, 0.00317956/step Wall: 7615.77, 0.00317956/step, 2.30854 hours remaining, 232.343750 MB of memory in use. ENERGY: 2386200 3981.3667 20516.2639 14553.5505 230.3279 -203255.3316 2569.1574 0.0000 0.0000 52040.3527 -109364.3125 299.0766 -161404.6652 -109003.3550 299.5745 132.4250 159.3424 760568.5270 9.1691 9.1293 PRESSURE: 2386400 171.03 68.9029 106.828 68.9027 178.276 199.302 106.827 199.304 -242.068 GPRESSURE: 2386400 210.242 -40.9821 218.624 58.5004 253.534 184.612 -65.497 132.867 -260.318 PRESSAVG: 2386400 -6.29452 -49.3536 -13.1059 -49.3535 0.614909 -20.7854 -13.1058 -20.7854 17.9833 GPRESSAVG: 2386400 -6.71998 -51.0861 -12.3894 -50.8887 -0.0100756 -19.9658 -13.1607 -21.7701 18.5516 TIMING: 2386400 CPU: 7616.42, 0.0032396/step Wall: 7616.42, 0.0032396/step, 2.35195 hours remaining, 232.343750 MB of memory in use. ENERGY: 2386400 3928.2615 20520.9443 14466.4119 246.5311 -203304.5604 2592.2982 0.0000 0.0000 52171.2243 -109378.8890 299.8287 -161550.1134 -109016.4493 299.2977 35.7459 67.8195 760024.4556 4.1012 3.9405 PRESSURE: 2386600 -428.12 -329.098 146.785 -329.098 -214.036 77.5889 146.785 77.589 -108.931 GPRESSURE: 2386600 -386.63 -330.726 129.338 -380.398 -179.744 26.6699 247.148 107.471 -96.3839 PRESSAVG: 2386600 68.1933 -4.84819 15.2824 -4.84818 -15.242 -37.9194 15.2824 -37.9194 14.8578 GPRESSAVG: 2386600 67.7664 -4.33182 13.8354 -5.10967 -14.5912 -39.2497 13.4799 -36.9813 14.7745 TIMING: 2386600 CPU: 7617.06, 0.00322902/step Wall: 7617.06, 0.00322902/step, 2.34409 hours remaining, 232.343750 MB of memory in use. ENERGY: 2386600 3969.4541 20447.9315 14522.8781 244.2855 -203257.7567 2438.4003 0.0000 0.0000 52048.5615 -109586.2456 299.1238 -161634.8071 -109224.3482 299.5562 -250.3624 -220.9194 762084.7739 22.6030 22.6499 PRESSURE: 2386800 247.572 -12.0897 131.296 -12.0898 -212.54 -2.51683 131.295 -2.51682 -327.396 GPRESSURE: 2386800 218.404 3.35422 196.36 -22.1386 -153.337 22.3829 105.204 25.9991 -274.709 PRESSAVG: 2386800 -23.218 -34.3679 47.4282 -34.3679 -41.7948 -54.0671 47.4283 -54.0672 3.05467 GPRESSAVG: 2386800 -24.221 -35.9265 49.6471 -33.5886 -41.5752 -53.674 47.4039 -53.8717 3.3078 TIMING: 2386800 CPU: 7617.7, 0.00319897/step Wall: 7617.7, 0.00319897/step, 2.3221 hours remaining, 232.343750 MB of memory in use. ENERGY: 2386800 4007.0163 20627.9005 14433.7953 246.7437 -203136.5161 2337.2341 0.0000 0.0000 52055.2303 -109428.5960 299.1621 -161483.8263 -109066.5612 299.5234 -97.4550 -69.8805 760826.7608 -20.6527 -20.8295 PRESSURE: 2387000 -189.208 158.037 45.145 158.037 -136.542 -140.051 45.146 -140.052 181.162 GPRESSURE: 2387000 -101.909 152.764 20.0643 108.316 -82.9776 -70.3392 117.248 -32.2245 119.239 PRESSAVG: 2387000 10.7936 -20.6875 1.63115 -20.6876 -12.3312 -58.2203 1.63119 -58.2202 -6.4902 GPRESSAVG: 2387000 12.6534 -18.2083 0.55389 -22.7459 -13.4714 -57.17 2.13828 -59.3889 -7.42733 TIMING: 2387000 CPU: 7618.35, 0.00321384/step Wall: 7618.35, 0.00321384/step, 2.33271 hours remaining, 232.343750 MB of memory in use. ENERGY: 2387000 4075.6850 20359.6470 14498.5232 226.1353 -203622.9547 2717.0950 0.0000 0.0000 51996.5674 -109749.3018 298.8250 -161745.8692 -109380.9769 299.4259 -48.1962 -21.8828 759701.5966 -2.6760 -2.7484 PRESSURE: 2387200 27.0972 -43.143 156.008 -43.1417 326.344 -173.746 156.008 -173.746 -72.4057 GPRESSURE: 2387200 72.8594 -124.141 230.327 -66.7339 278.447 -72.6482 102.581 -30.7074 17.9509 PRESSAVG: 2387200 -7.72387 -26.099 -23.1519 -26.0989 11.8545 -4.4758 -23.152 -4.47577 -8.56453 GPRESSAVG: 2387200 -8.37254 -26.7894 -21.6474 -24.0213 11.9552 -3.90428 -24.0428 -4.15377 -8.49819 TIMING: 2387200 CPU: 7618.99, 0.0032071/step Wall: 7618.99, 0.0032071/step, 2.32764 hours remaining, 232.343750 MB of memory in use. ENERGY: 2387200 3935.2582 20451.1420 14438.7043 232.5560 -203593.5311 2687.3614 0.0000 0.0000 52189.5172 -109658.9919 299.9339 -161848.5091 -109291.1012 299.1335 93.6786 123.0859 760650.6331 -1.4780 -1.6385 PRESSURE: 2387400 109.887 -119.36 -81.3219 -119.361 -115.356 36.3699 -81.3218 36.3709 -17.5724 GPRESSURE: 2387400 132.503 -253.882 -90.7016 44.7936 -162.76 139.217 42.2027 -39.1448 88.6082 PRESSAVG: 2387400 -13.1877 -27.0528 9.0845 -27.0528 -14.985 14.6407 9.08448 14.6407 2.96576 GPRESSAVG: 2387400 -12.8965 -26.7771 8.16664 -29.7035 -14.8064 14.7658 7.71055 13.9895 3.01358 TIMING: 2387400 CPU: 7619.62, 0.00316225/step Wall: 7619.62, 0.00316225/step, 2.29491 hours remaining, 232.410156 MB of memory in use. ENERGY: 2387400 3952.0480 20482.6649 14416.7977 233.0207 -203088.7769 2271.2351 0.0000 0.0000 52056.1482 -109676.8624 299.1674 -161733.0106 -109303.4742 299.1935 -7.6807 19.4507 760729.8050 -8.4023 -8.2298 PRESSURE: 2387600 235.74 -216.665 -215.889 -216.665 15.0108 5.46685 -215.89 5.46697 128.218 GPRESSURE: 2387600 301.682 -132.797 -204.865 -198.782 -13.214 -95.5794 -101.846 0.279112 180.626 PRESSAVG: 2387600 24.122 -25.7005 -27.9414 -25.7006 -48.8776 16.8864 -27.9414 16.8865 13.1469 GPRESSAVG: 2387600 24.1787 -28.5166 -28.0124 -21.716 -47.6404 16.2627 -25.1842 16.309 12.4522 TIMING: 2387600 CPU: 7620.25, 0.00317355/step Wall: 7620.25, 0.00317355/step, 2.30294 hours remaining, 232.410156 MB of memory in use. ENERGY: 2387600 3950.7690 20537.2858 14434.2507 228.1076 -203865.9279 2693.6592 0.0000 0.0000 52355.7518 -109666.1038 300.8892 -162021.8556 -109301.6333 299.5468 126.3229 156.3647 761733.0894 -3.8696 -3.6698 PRESSURE: 2387800 -229.915 -8.45315 194.462 -8.45438 -379.955 -68.899 194.462 -68.8994 -146.635 GPRESSURE: 2387800 -207.855 -104.505 152.391 21.5302 -237.19 -68.0008 118.284 87.8763 -203.096 PRESSAVG: 2387800 55.7161 -0.109608 -9.65442 -0.109575 -24.6592 16.2835 -9.65451 16.2836 22.5533 GPRESSAVG: 2387800 54.8863 1.47157 -9.65152 -1.96267 -24.1204 15.2586 -11.3808 18.9184 22.8183 TIMING: 2387800 CPU: 7620.89, 0.00316571/step Wall: 7620.89, 0.00316571/step, 2.29707 hours remaining, 232.410156 MB of memory in use. ENERGY: 2387800 4025.3869 20688.8704 14462.2786 244.7594 -203319.6029 2446.4374 0.0000 0.0000 52002.2393 -109449.6310 298.8576 -161451.8703 -109090.2893 299.5567 -252.1684 -216.0470 762767.6313 17.8701 17.8614 PRESSURE: 2388000 -9.95833 -67.9687 -63.5589 -67.969 124.718 -278.293 -63.559 -278.293 15.3417 GPRESSURE: 2388000 -13.4071 -136.958 -54.8442 -151.239 171.835 -309.388 -83.6915 -244.704 37.4347 PRESSAVG: 2388000 55.6386 -83.4746 -22.028 -83.4746 -61.1024 -7.71336 -22.028 -7.71333 -32.8747 GPRESSAVG: 2388000 56.5192 -83.8527 -21.8661 -83.5927 -62.6931 -6.70544 -21.8236 -9.82116 -32.3744 TIMING: 2388000 CPU: 7621.52, 0.00316915/step Wall: 7621.52, 0.00316915/step, 2.29939 hours remaining, 232.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2388000 4001.8161 20590.2941 14464.8092 232.6257 -203876.7863 2881.4971 0.0000 0.0000 52350.0893 -109355.6548 300.8567 -161705.7442 -108985.7796 299.8625 43.3671 65.2876 760684.8572 -12.7795 -12.8494 PRESSURE: 2388200 -287.945 -111.131 -208.338 -111.13 -2.86328 103.005 -208.339 103.005 -34.263 GPRESSURE: 2388200 -312.41 -148.806 -170.342 -33.3954 27.3347 133.748 -335.205 39.4491 31.1587 PRESSAVG: 2388200 25.3074 -67.0157 27.8999 -67.0157 -28.1532 38.5524 27.8999 38.5524 -1.2332 GPRESSAVG: 2388200 25.0197 -66.4174 29.9675 -65.2349 -28.0281 39.1638 25.5697 37.5584 -1.0278 TIMING: 2388200 CPU: 7622.15, 0.00315065/step Wall: 7622.15, 0.00315065/step, 2.2858 hours remaining, 232.410156 MB of memory in use. ENERGY: 2388200 3961.0955 20558.4098 14506.0485 241.0264 -203298.4993 2474.4584 0.0000 0.0000 52107.5280 -109449.9327 299.4627 -161557.4606 -109097.8248 299.6219 -108.3570 -84.6390 761226.1470 -1.3597 -1.3454 LDB: ============= START OF LOAD BALANCING ============== 7634.57 LDB: ============== END OF LOAD BALANCING =============== 7634.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.58 LDB: ============= START OF LOAD BALANCING ============== 7634.89 LDB: Largest compute 7033 load 0.035629 is 18.2% of average load 0.195402 LDB: Average compute 0.004428 is 2.3% of average load 0.195402 LDB: TIME 7634.9 LOAD: AVG 0.195402 MAX 0.215446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 7634.9 LOAD: AVG 0.195402 MAX 0.215446 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 7634.9 LOAD: AVG 0.195402 MAX 0.215446 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 7634.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.9 PRESSURE: 2388400 -329.005 -62.9748 -105.218 -62.9747 -121.187 -208.544 -105.217 -208.542 368.056 GPRESSURE: 2388400 -270.29 -106.619 -141.565 -103.114 -97.4716 -241.799 -14.3418 -117.28 360.494 PRESSAVG: 2388400 -68.065 -64.585 26.2478 -64.5849 2.97787 14.4823 26.2479 14.4824 21.2187 GPRESSAVG: 2388400 -68.5049 -64.6685 24.1945 -65.2567 3.66673 13.794 27.8014 17.7387 21.234 TIMING: 2388400 CPU: 7622.8, 0.00322924/step Wall: 7622.8, 0.00322924/step, 2.34263 hours remaining, 234.835938 MB of memory in use. ENERGY: 2388400 3983.9937 20467.8654 14452.5856 235.8959 -203454.3742 2687.4044 0.0000 0.0000 52232.0137 -109394.6156 300.1781 -161626.6293 -109034.8014 299.9650 -27.3788 -2.4226 763155.7958 -14.6228 -14.5347 PRESSURE: 2388600 -429.55 92.6319 87.8125 92.6318 21.9809 -11.8951 87.812 -11.8957 -207.195 GPRESSURE: 2388600 -323.791 211.007 2.31056 13.7734 20.8584 72.8655 145.357 16.354 -215.291 PRESSAVG: 2388600 -8.97917 -43.1822 16.6973 -43.1823 18.8247 -37.3119 16.6973 -37.3119 13.3929 GPRESSAVG: 2388600 -8.01749 -40.5205 16.6472 -46.6933 19.3619 -37.0984 17.5528 -38.5976 11.8608 TIMING: 2388600 CPU: 7623.43, 0.00315919/step Wall: 7623.43, 0.00315919/step, 2.29164 hours remaining, 234.906250 MB of memory in use. ENERGY: 2388600 4011.0495 20454.0173 14475.0804 257.3493 -202977.8683 2216.9484 0.0000 0.0000 52381.7693 -109181.6541 301.0387 -161563.4234 -108815.8508 299.6207 -204.9213 -172.7410 761714.8693 7.7462 7.7351 PRESSURE: 2388800 114.562 -170.876 -316.818 -170.875 281.521 -5.1425 -316.819 -5.14365 132.47 GPRESSURE: 2388800 185.491 -200.188 -186.55 -152.011 246.106 50.6886 -181.365 76.4928 157.93 PRESSAVG: 2388800 15.2291 -25.8978 -23.2137 -25.8978 -39.4627 27.6463 -23.2136 27.6462 3.92074 GPRESSAVG: 2388800 15.3011 -29.3223 -21.85 -22.6005 -40.0484 29.4115 -23.6814 27.6676 4.53841 TIMING: 2388800 CPU: 7624.06, 0.0031471/step Wall: 7624.06, 0.0031471/step, 2.28269 hours remaining, 234.906250 MB of memory in use. ENERGY: 2388800 4032.7134 20555.4423 14401.0540 265.5633 -203436.6466 2775.7717 0.0000 0.0000 52327.4672 -109078.6347 300.7267 -161406.1018 -108719.0010 300.5647 176.1845 196.5090 761134.5309 -6.7710 -6.7363 PRESSURE: 2389000 296.591 -31.4794 -204.457 -31.479 -169.888 -3.7983 -204.456 -3.79806 351.056 GPRESSURE: 2389000 366.535 28.2307 -161.41 -50.9349 -190.424 30.6804 -59.1334 27.6088 366.123 PRESSAVG: 2389000 66.0738 4.17508 -45.6794 4.17513 -35.0166 -2.74594 -45.6794 -2.74592 -10.5711 GPRESSAVG: 2389000 67.1612 6.85131 -46.5236 3.67818 -36.5316 -3.56609 -46.4026 -4.92668 -9.86083 TIMING: 2389000 CPU: 7624.69, 0.00315276/step Wall: 7624.69, 0.00315276/step, 2.28663 hours remaining, 234.906250 MB of memory in use. ENERGY: 2389000 3965.3215 20581.5308 14551.9915 237.0619 -203485.5463 2758.5425 0.0000 0.0000 52322.7639 -109068.3341 300.6996 -161391.0980 -108705.6301 300.2426 159.2531 180.7447 760856.7259 6.8287 6.9229 PRESSURE: 2389200 300.627 34.138 216.004 34.1378 -261.016 -52.1138 216.003 -52.1131 -159.161 GPRESSURE: 2389200 310.299 -30.6178 252.695 -41.5312 -201.367 -50.1887 152.832 -203.159 -147.114 PRESSAVG: 2389200 17.2202 -57.2386 21.6269 -57.2387 -19.2099 -0.823544 21.627 -0.823593 7.43026 GPRESSAVG: 2389200 16.2017 -56.9886 20.8441 -58.2808 -18.0456 -1.12413 23.1255 0.393905 6.43936 TIMING: 2389200 CPU: 7625.32, 0.0031678/step Wall: 7625.32, 0.0031678/step, 2.29736 hours remaining, 234.906250 MB of memory in use. ENERGY: 2389200 3999.6519 20564.7420 14485.3996 227.8798 -203173.5390 2468.6539 0.0000 0.0000 52467.0994 -108960.1123 301.5291 -161427.2117 -108583.0987 300.8573 -39.8503 -12.7275 761757.8413 1.8135 1.5318 PRESSURE: 2389400 -398.036 -60.3406 227.447 -60.34 -121.865 28.1113 227.446 28.1109 283.111 GPRESSURE: 2389400 -318.915 -46.1294 202.42 4.8828 -114.389 29.7997 158.406 -27.0945 277.875 PRESSAVG: 2389400 59.1306 -44.7744 5.10594 -44.7745 -34.9252 35.1925 5.10596 35.1925 0.0111476 GPRESSAVG: 2389400 60.0828 -45.5334 3.06178 -43.7642 -36.8123 34.7329 6.30347 34.5849 0.623361 TIMING: 2389400 CPU: 7625.96, 0.00317818/step Wall: 7625.96, 0.00317818/step, 2.30471 hours remaining, 234.906250 MB of memory in use. ENERGY: 2389400 3962.0518 20610.2007 14501.1932 228.8884 -203061.1301 2455.3601 0.0000 0.0000 52157.2377 -109146.1981 299.7484 -161303.4358 -108786.3910 300.5138 -78.9298 -51.8095 761766.5169 8.0722 7.9646 PRESSURE: 2389600 -47.6261 -6.84697 -1.97927 -6.8468 5.01211 -92.3208 -1.97879 -92.3199 -175.5 GPRESSURE: 2389600 17.8045 -110.39 -74.4129 29.8342 31.3756 -60.9932 -99.7676 -58.1006 -164.939 PRESSAVG: 2389600 38.2529 -8.3889 -10.7772 -8.38887 25.2714 16.5321 -10.7771 16.5322 25.0278 GPRESSAVG: 2389600 37.0993 -9.32013 -9.42265 -8.50227 26.9233 16.7644 -12.5194 16.9418 24.3156 TIMING: 2389600 CPU: 7626.59, 0.00317882/step Wall: 7626.59, 0.00317882/step, 2.305 hours remaining, 234.906250 MB of memory in use. ENERGY: 2389600 4046.1851 20495.9761 14440.4661 244.9853 -203133.4529 2544.7481 0.0000 0.0000 52271.2762 -109089.8160 300.4037 -161361.0922 -108726.6631 300.3200 -72.7046 -38.5862 761073.6089 29.5174 29.4461 PRESSURE: 2389800 34.5528 -16.7091 212.106 -16.7082 216.479 -256.238 212.105 -256.238 62.801 GPRESSURE: 2389800 38.1916 -67.9004 116.929 25.0046 232.3 -229.923 218.152 -273.581 126.318 PRESSAVG: 2389800 -38.8748 -53.4328 11.289 -53.4328 -6.80411 19.2012 11.289 19.2012 14.8072 GPRESSAVG: 2389800 -39.3909 -53.949 11.885 -54.649 -6.74902 18.6594 10.1081 18.3985 14.8504 TIMING: 2389800 CPU: 7627.22, 0.00315109/step Wall: 7627.22, 0.00315109/step, 2.28472 hours remaining, 234.906250 MB of memory in use. ENERGY: 2389800 3989.7822 20537.8103 14512.4613 246.4623 -203158.3370 2550.7290 0.0000 0.0000 52227.9529 -109093.1390 300.1548 -161321.0919 -108726.9240 299.8184 104.6110 132.2700 762459.7226 -10.2906 -10.4298 PRESSURE: 2390000 -308.819 -103.017 -150.226 -103.016 -220.847 -139.048 -150.225 -139.048 -123.31 GPRESSURE: 2390000 -257.254 -91.3485 -131.527 -130.938 -124.849 -76.2334 -134.616 -153.183 -183.941 PRESSAVG: 2390000 3.118 -37.961 -64.1493 -37.961 -30.8204 25.925 -64.1493 25.9251 -2.54378 GPRESSAVG: 2390000 4.29447 -36.4792 -63.5456 -38.7154 -32.0673 25.9569 -61.3769 27.7311 -1.84448 TIMING: 2390000 CPU: 7627.86, 0.00315948/step Wall: 7627.86, 0.00315948/step, 2.29062 hours remaining, 234.906250 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: 2390000 3966.4383 20731.8866 14455.8371 231.3475 -203428.2784 2554.8668 0.0000 0.0000 52281.5901 -109206.3120 300.4630 -161487.9020 -108830.0540 300.2461 -217.6585 -188.6812 763294.2566 -10.0821 -9.8724 PRESSURE: 2390200 -0.240013 -16.4148 -55.8735 -16.4148 -89.9119 141.07 -55.8733 141.07 -181.068 GPRESSURE: 2390200 -74.8327 -102.469 -139.094 -41.3578 -11.8026 29.6333 -161.662 24.1266 -111.659 PRESSAVG: 2390200 21.5388 -108.812 -63.0064 -108.812 -25.8873 -7.69036 -63.0065 -7.69033 13.647 GPRESSAVG: 2390200 21.2867 -109.651 -64.3084 -107.085 -25.4707 -6.69062 -65.2842 -7.82044 13.5356 TIMING: 2390200 CPU: 7628.49, 0.00317042/step Wall: 7628.49, 0.00317042/step, 2.29838 hours remaining, 234.906250 MB of memory in use. ENERGY: 2390200 4017.7067 20714.5325 14477.8975 231.6281 -203372.4764 2647.3160 0.0000 0.0000 51993.3687 -109290.0267 298.8066 -161283.3955 -108932.0633 300.2254 -90.4068 -66.0982 761512.4334 3.0995 3.1172 PRESSURE: 2390400 -159.792 -47.6719 3.10457 -47.6719 -337.767 178.514 3.10481 178.515 -516.876 GPRESSURE: 2390400 -119.671 -175.198 19.5785 73.6419 -370.636 168.786 131.456 32.2771 -443.092 PRESSAVG: 2390400 41.0263 -74.7567 -31.6635 -74.7567 -38.5211 -10.2314 -31.6636 -10.2314 -28.8987 GPRESSAVG: 2390400 40.7659 -76.0711 -30.5312 -72.6502 -39.0505 -9.00328 -31.4401 -12.6063 -28.2358 TIMING: 2390400 CPU: 7629.12, 0.00316096/step Wall: 7629.12, 0.00316096/step, 2.29135 hours remaining, 234.906250 MB of memory in use. ENERGY: 2390400 3998.0364 20644.3965 14459.7591 259.7823 -202896.1063 2162.6954 0.0000 0.0000 52124.2337 -109247.2029 299.5587 -161371.4366 -108893.9731 300.4271 -338.1447 -311.1333 762824.6217 -8.7978 -8.8401 PRESSURE: 2390600 -70.1523 -249.643 66.1582 -249.643 -391.829 76.2052 66.1584 76.2055 -99.33 GPRESSURE: 2390600 -59.8998 -103.88 68.5779 -204.457 -369.243 63.9615 94.9675 258.11 -41.7634 PRESSAVG: 2390600 41.0257 -58.5132 -15.1592 -58.5132 -50.8911 13.9821 -15.1592 13.9821 -11.7156 GPRESSAVG: 2390600 41.8727 -58.1132 -15.4853 -59.9067 -50.7175 14.3375 -13.3415 14.921 -12.3383 TIMING: 2390600 CPU: 7629.76, 0.00316898/step Wall: 7629.76, 0.00316898/step, 2.29698 hours remaining, 234.906250 MB of memory in use. ENERGY: 2390600 4058.1914 20693.2450 14478.5254 225.5569 -203351.8153 2418.2103 0.0000 0.0000 52256.3320 -109221.7543 300.3179 -161478.0863 -108858.1784 300.0740 -187.1037 -156.9688 762768.5689 -7.1937 -7.0611 PRESSURE: 2390800 153.689 70.0243 130.91 70.0247 1.13223 117.839 130.909 117.84 130.865 GPRESSURE: 2390800 145.986 132.716 19.0321 86.5356 35.7647 147.772 217.123 -23.6998 197.246 PRESSAVG: 2390800 55.408 -67.6142 11.0059 -67.6142 -55.5033 28.6385 11.0059 28.6385 -27.4881 GPRESSAVG: 2390800 54.729 -68.4684 11.4126 -68.104 -55.441 27.2941 10.1894 30.0581 -26.8249 TIMING: 2390800 CPU: 7630.4, 0.00320953/step Wall: 7630.4, 0.00320953/step, 2.3262 hours remaining, 234.906250 MB of memory in use. ENERGY: 2390800 3962.3425 20585.2481 14427.0653 241.6962 -203821.0674 2755.7712 0.0000 0.0000 52276.3527 -109572.5914 300.4329 -161848.9442 -109214.9465 300.0072 95.2287 126.3322 760789.2551 -9.1944 -9.1790 PRESSURE: 2391000 -9.65556 -310.435 -125.285 -310.436 312.341 -43.8734 -125.286 -43.8732 339.683 GPRESSURE: 2391000 69.8539 -399.112 -180.372 -215.799 338.248 27.5988 -184.835 35.9643 323.626 PRESSAVG: 2391000 -10.4859 -82.3537 13.1948 -82.3536 -40.8894 -7.83371 13.1948 -7.83372 -5.15735 GPRESSAVG: 2391000 -9.4105 -80.0021 11.6162 -82.9278 -42.1726 -6.36682 14.0019 -9.21838 -5.26485 TIMING: 2391000 CPU: 7631.03, 0.00318115/step Wall: 7631.03, 0.00318115/step, 2.30545 hours remaining, 234.906250 MB of memory in use. ENERGY: 2391000 3926.3185 20563.5110 14360.7617 236.0337 -203432.0814 2731.7609 0.0000 0.0000 52039.9972 -109573.6984 299.0746 -161613.6956 -109214.5151 299.6802 214.1226 243.9093 761707.0627 -18.8442 -18.9493 PRESSURE: 2391200 -223.487 31.959 106.541 31.9587 -68.6015 -67.9744 106.541 -67.9731 249.096 GPRESSURE: 2391200 -203.491 108.096 -3.07574 1.65375 -3.56636 -95.6314 148.155 -37.0348 261.545 PRESSAVG: 2391200 -0.795686 -106.53 -22.0813 -106.53 -18.0592 51.7236 -22.0813 51.7236 23.7282 GPRESSAVG: 2391200 -1.57584 -107.528 -21.26 -106.097 -16.946 50.1098 -23.5705 54.5845 23.1719 TIMING: 2391200 CPU: 7631.67, 0.00316547/step Wall: 7631.67, 0.00316547/step, 2.29391 hours remaining, 234.906250 MB of memory in use. ENERGY: 2391200 3966.8872 20509.9891 14466.3639 236.9205 -203560.2013 2527.4530 0.0000 0.0000 52172.6107 -109679.9769 299.8367 -161852.5876 -109305.1083 299.1438 -14.3307 18.1623 760660.5287 1.6244 1.5500 PRESSURE: 2391400 196.078 59.2304 -137.344 59.2311 272.937 7.75443 -137.344 7.75392 230.148 GPRESSURE: 2391400 261.152 22.2301 -146.324 25.7926 333.74 46.9245 -129.604 -19.96 203.818 PRESSAVG: 2391400 33.2196 -98.7162 -36.7328 -98.7162 -16.3563 47.472 -36.7328 47.472 -0.642952 GPRESSAVG: 2391400 34.6072 -97.7177 -38.7739 -100.513 -16.692 48.6222 -36.2202 45.6974 -1.12978 TIMING: 2391400 CPU: 7632.3, 0.00317019/step Wall: 7632.3, 0.00317019/step, 2.29716 hours remaining, 234.906250 MB of memory in use. ENERGY: 2391400 3996.4036 20575.7217 14433.9384 256.6834 -203633.6386 2969.4627 0.0000 0.0000 51718.5748 -109682.8539 297.2274 -161401.4287 -109342.0027 298.8064 233.0545 266.2366 761891.4473 5.4068 5.5951 PRESSURE: 2391600 -111.7 -34.7982 88.2987 -34.7973 48.1785 185.642 88.2989 185.642 -10.0689 GPRESSURE: 2391600 -28.302 -34.7225 224.565 10.1085 92.9916 196.974 45.9821 217.131 -41.193 PRESSAVG: 2391600 58.1887 -50.144 -49.1825 -50.144 -67.0861 -18.8924 -49.1826 -18.8924 9.07323 GPRESSAVG: 2391600 57.5587 -51.8757 -47.337 -48.46 -66.8792 -19.1323 -49.1271 -20.0119 9.30107 TIMING: 2391600 CPU: 7632.94, 0.00319318/step Wall: 7632.94, 0.00319318/step, 2.31364 hours remaining, 234.906250 MB of memory in use. ENERGY: 2391600 3946.1686 20494.7834 14442.0820 263.1914 -203808.0967 2730.7400 0.0000 0.0000 52197.4644 -109733.6669 299.9795 -161931.1313 -109363.5148 298.4553 -24.5300 7.8322 761820.9346 0.0586 -0.0065 PRESSURE: 2391800 147.185 -90.8554 30.6992 -90.8563 148.577 149.456 30.6983 149.456 -153.25 GPRESSURE: 2391800 173.269 -123.006 -56.2514 -149.609 178.013 88.4702 -14.6404 80.4931 -113.242 PRESSAVG: 2391800 44.1064 -40.562 5.05879 -40.5621 -36.9702 54.2643 5.05887 54.2642 11.646 GPRESSAVG: 2391800 43.7021 -38.3133 6.71481 -42.5695 -35.97 55.0125 4.11593 51.4987 10.7955 TIMING: 2391800 CPU: 7633.58, 0.00318537/step Wall: 7633.58, 0.00318537/step, 2.3078 hours remaining, 234.906250 MB of memory in use. ENERGY: 2391800 3960.1406 20632.7805 14420.6325 231.5661 -203708.6604 2687.4541 0.0000 0.0000 52214.7386 -109561.3480 300.0788 -161776.0866 -109197.4657 299.0967 47.5039 79.3466 759236.8745 6.2607 6.1759 PRESSURE: 2392000 74.9845 -7.09699 -174.084 -7.09689 -258.336 -96.0042 -174.084 -96.0039 134.526 GPRESSURE: 2392000 106.884 -31.537 -304.167 -75.1786 -212.547 -155.739 -173.664 -96.2086 140.745 PRESSAVG: 2392000 18.6014 -85.9393 -25.4102 -85.9392 1.86919 -45.8101 -25.4101 -45.8102 14.5739 GPRESSAVG: 2392000 18.8234 -87.3083 -27.8561 -83.0365 0.680888 -46.4376 -25.7866 -42.2018 15.6604 TIMING: 2392000 CPU: 7634.21, 0.00318186/step Wall: 7634.21, 0.00318186/step, 2.30508 hours remaining, 234.906250 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: 2392000 4033.8011 20532.2996 14495.2959 244.5269 -203610.7227 2585.4531 0.0000 0.0000 52063.9462 -109655.3999 299.2122 -161719.3461 -109296.1376 299.0754 -16.2752 11.6940 760561.5370 11.6815 11.7216 PRESSURE: 2392200 90.4047 -225.012 1.11086 -225.012 -347.203 169.525 1.11036 169.526 -28.8731 GPRESSURE: 2392200 61.4935 -241.904 -53.057 -167.924 -191.58 208.887 37.2215 169.336 -65.5152 PRESSAVG: 2392200 39.4966 -24.5494 -16.9859 -24.5495 -71.6163 30.5249 -16.9858 30.5248 -5.45661 GPRESSAVG: 2392200 39.6462 -22.5508 -15.2536 -26.0815 -71.1916 32.0243 -15.305 30.3895 -5.88812 TIMING: 2392200 CPU: 7634.85, 0.00317802/step Wall: 7634.85, 0.00317802/step, 2.30212 hours remaining, 234.906250 MB of memory in use. ENERGY: 2392200 4068.8919 20539.9148 14462.6790 238.0633 -203508.8325 2358.1207 0.0000 0.0000 52149.5699 -109691.5928 299.7043 -161841.1627 -109323.8329 298.8137 -95.2237 -65.2006 761211.2713 -12.5254 -12.4778 LDB: ============= START OF LOAD BALANCING ============== 7647.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7647.27 LDB: =============== DONE WITH MIGRATION ================ 7647.28 LDB: ============= START OF LOAD BALANCING ============== 7647.6 LDB: Largest compute 7033 load 0.038297 is 19.6% of average load 0.195433 LDB: Average compute 0.004416 is 2.3% of average load 0.195433 LDB: TIME 7647.6 LOAD: AVG 0.195433 MAX 0.214789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.461 MB LDB: TIME 7647.6 LOAD: AVG 0.195433 MAX 0.214789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 7647.6 LOAD: AVG 0.195433 MAX 0.214789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 7647.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7647.61 PRESSURE: 2392400 235.871 -237.332 -50.7733 -237.332 196.991 -177.528 -50.7737 -177.529 112.087 GPRESSURE: 2392400 221.782 -174.033 9.75051 -199.522 288.984 -149.052 -6.20771 -150.113 132.282 PRESSAVG: 2392400 27.539 -32.9006 0.309567 -32.9006 -35.4251 -58.3706 0.309606 -58.3706 18.2908 GPRESSAVG: 2392400 26.9047 -35.8448 -0.262551 -31.5911 -35.4188 -60.3809 -2.85254 -58.3914 19.157 TIMING: 2392400 CPU: 7635.5, 0.00325522/step Wall: 7635.5, 0.00325522/step, 2.35786 hours remaining, 234.316406 MB of memory in use. ENERGY: 2392400 3975.8790 20588.9583 14435.9853 222.0871 -203654.5243 2625.2145 0.0000 0.0000 52151.7912 -109654.6089 299.7171 -161806.4001 -109294.1991 298.9769 181.6498 214.3492 760084.3646 3.4682 3.5476 PRESSURE: 2392600 -24.6606 49.9684 71.2728 49.9688 231.123 116.82 71.2723 116.82 76.9625 GPRESSURE: 2392600 10.2132 13.3796 52.2064 -72.931 169.785 122.992 17.5715 84.062 189.685 PRESSAVG: 2392600 30.2708 -4.35743 -22.5122 -4.35736 -23.7822 25.0505 -22.5122 25.0506 24.9403 GPRESSAVG: 2392600 30.582 -3.48447 -24.0856 -5.17405 -23.3212 25.7938 -19.3402 24.8997 23.8136 TIMING: 2392600 CPU: 7636.14, 0.00317968/step Wall: 7636.14, 0.00317968/step, 2.30297 hours remaining, 234.316406 MB of memory in use. ENERGY: 2392600 3902.8912 20446.1690 14456.3767 237.6898 -203379.1070 2529.4441 0.0000 0.0000 52018.7079 -109787.8284 298.9522 -161806.5363 -109435.0608 299.0248 94.4748 123.2277 760811.7234 10.4763 10.3581 PRESSURE: 2392800 327.661 109.766 -11.6389 109.766 33.6348 -174.829 -11.6384 -174.829 -145.073 GPRESSURE: 2392800 250.476 41.587 -47.06 135.108 83.1314 -117.466 30.2644 -76.8978 -47.1181 PRESSAVG: 2392800 65.9385 -19.4944 -3.31582 -19.4945 -19.2193 12.4243 -3.31575 12.4244 9.15162 GPRESSAVG: 2392800 66.455 -20.9637 -1.16441 -18.737 -21.0158 13.5268 -5.91634 12.4942 10.5127 TIMING: 2392800 CPU: 7636.77, 0.00318328/step Wall: 7636.77, 0.00318328/step, 2.3054 hours remaining, 234.316406 MB of memory in use. ENERGY: 2392800 4048.3279 20531.8578 14471.9487 245.4148 -203526.8855 2747.5957 0.0000 0.0000 51784.1897 -109697.5510 297.6045 -161481.7407 -109334.3848 298.4264 72.0741 95.4964 759763.8048 18.6236 18.6506 PRESSURE: 2393000 -167.323 -234.276 -127.916 -234.276 -168.529 189.546 -127.916 189.547 -106.186 GPRESSURE: 2393000 -8.50236 -152.147 -116.384 -222.306 -213.97 84.5591 -184.367 149.544 -136.415 PRESSAVG: 2393000 22.0807 -25.7472 -30.283 -25.7472 17.5822 5.99593 -30.283 5.99601 18.8155 GPRESSAVG: 2393000 20.6068 -25.0143 -31.5793 -27.337 19.3501 5.22901 -27.1055 5.41314 18.5476 TIMING: 2393000 CPU: 7637.41, 0.00318594/step Wall: 7637.41, 0.00318594/step, 2.30715 hours remaining, 234.316406 MB of memory in use. ENERGY: 2393000 4003.8431 20626.8649 14410.3567 252.3045 -203217.9647 2333.3414 0.0000 0.0000 51961.1460 -109630.1082 298.6214 -161591.2542 -109266.5364 298.9007 -147.3459 -119.6291 761303.8246 19.4928 19.5015 PRESSURE: 2393200 -86.6326 13.2884 333.433 13.2883 -69.8115 380.423 333.432 380.424 209.713 GPRESSURE: 2393200 17.8499 -18.6178 455.967 107.4 -143.841 407.435 328.421 311.234 249.965 PRESSAVG: 2393200 66.94 -50.9976 -22.0151 -50.9976 -64.7566 26.9052 -22.0152 26.9051 -5.8035 GPRESSAVG: 2393200 67.8211 -50.7154 -21.0757 -50.4784 -65.6432 27.467 -23.9352 28.4701 -5.98883 TIMING: 2393200 CPU: 7638.05, 0.00317701/step Wall: 7638.05, 0.00317701/step, 2.3005 hours remaining, 234.316406 MB of memory in use. ENERGY: 2393200 3943.6293 20526.0917 14436.9185 254.6596 -203506.3613 2548.6409 0.0000 0.0000 52146.7977 -109649.6234 299.6884 -161796.4211 -109290.5075 299.3211 17.7564 41.3247 760711.3988 -1.2067 -1.2703 PRESSURE: 2393400 159.968 138.616 310.121 138.615 140.927 -4.51997 310.12 -4.52065 631.08 GPRESSURE: 2393400 181.638 193.514 197.777 183.312 172.393 -41.0412 295.079 -87.8615 658.113 PRESSAVG: 2393400 -3.0121 -12.7952 66.0024 -12.7952 1.5478 34.0797 66.0025 34.0795 13.0308 GPRESSAVG: 2393400 -2.44748 -14.9842 64.8326 -10.4202 2.95877 33.513 66.4045 32.9886 11.5326 TIMING: 2393400 CPU: 7638.68, 0.00319445/step Wall: 7638.68, 0.00319445/step, 2.31296 hours remaining, 234.316406 MB of memory in use. ENERGY: 2393400 3970.3199 20550.6299 14484.2229 249.5822 -203700.4124 2601.7005 0.0000 0.0000 52250.2592 -109593.6978 300.2830 -161843.9570 -109223.3521 299.1477 310.6585 337.3810 760824.3377 3.8555 4.0146 PRESSURE: 2393600 42.1686 28.786 -158.802 28.7859 37.7335 81.7066 -158.802 81.7074 166.335 GPRESSURE: 2393600 67.2728 65.6495 -259.08 0.718075 161.318 88.2117 -46.4135 168.08 106.599 PRESSAVG: 2393600 20.3226 -5.8202 -51.2704 -5.82023 24.9026 0.948713 -51.2704 0.948721 32.0326 GPRESSAVG: 2393600 19.6164 -4.03375 -49.1235 -7.96942 24.8087 -0.251887 -51.7213 0.372689 32.9144 TIMING: 2393600 CPU: 7639.32, 0.00319281/step Wall: 7639.32, 0.00319281/step, 2.31159 hours remaining, 234.316406 MB of memory in use. ENERGY: 2393600 3992.1508 20518.5512 14420.8123 254.1978 -203130.6189 2476.6498 0.0000 0.0000 51955.9198 -109512.3373 298.5914 -161468.2571 -109145.3684 299.3776 82.0790 111.7300 761527.3021 25.7526 25.7798 PRESSURE: 2393800 -91.1975 50.2903 78.4111 50.2909 -75.5168 211.026 78.411 211.025 6.66622 GPRESSURE: 2393800 -110.389 74.7773 119.716 -50.9616 -32.3866 102.289 98.1901 250.729 88.0384 PRESSAVG: 2393800 74.3522 -4.93314 -2.73062 -4.93315 -34.8756 8.77848 -2.73061 8.77843 8.1132 GPRESSAVG: 2393800 74.2125 -5.31542 -5.02744 -5.21335 -34.9441 9.51407 -1.44504 8.29351 8.95424 TIMING: 2393800 CPU: 7639.96, 0.00320729/step Wall: 7639.96, 0.00320729/step, 2.3219 hours remaining, 234.316406 MB of memory in use. ENERGY: 2393800 3972.5400 20547.4324 14478.7603 251.4106 -203381.4019 2467.5145 0.0000 0.0000 52354.2701 -109309.4738 300.8807 -161663.7440 -108944.6107 300.0000 -53.3494 -18.2459 761866.6341 15.8633 16.0742 PRESSURE: 2394000 167.55 -200.828 -80.8199 -200.828 -135.548 -218.7 -80.8199 -218.7 29.1115 GPRESSURE: 2394000 209.742 -234.25 -24.8503 -154.072 -57.4675 -242.121 -145.911 -165.131 4.99087 PRESSAVG: 2394000 24.676 -62.3014 7.49512 -62.3014 -8.92434 -8.11639 7.49511 -8.11651 11.5909 GPRESSAVG: 2394000 24.7932 -62.0762 8.36748 -61.3249 -7.91523 -10.1832 8.96451 -6.76886 10.7461 TIMING: 2394000 CPU: 7640.6, 0.00318912/step Wall: 7640.6, 0.00318912/step, 2.30857 hours remaining, 234.316406 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: 2394000 4014.8972 20484.9172 14510.6446 264.2396 -203384.7886 2672.4289 0.0000 0.0000 52337.7495 -109099.9115 300.7858 -161437.6610 -108730.1138 300.3288 20.3712 52.4218 759569.0485 9.1142 9.2080 PRESSURE: 2394200 400.687 -68.9874 91.7469 -68.987 436.521 194.735 91.7472 194.736 251.681 GPRESSURE: 2394200 444.073 -154.848 64.2816 -134.378 437.819 253.748 -44.1472 116.84 298.374 PRESSAVG: 2394200 -3.13469 -30.6253 -45.956 -30.6252 -8.36349 -5.96125 -45.956 -5.96126 -18.9111 GPRESSAVG: 2394200 -1.95 -30.696 -46.9795 -30.5375 -8.76955 -4.11802 -47.8547 -5.83971 -20.0547 TIMING: 2394200 CPU: 7641.24, 0.00319504/step Wall: 7641.24, 0.00319504/step, 2.31268 hours remaining, 234.316406 MB of memory in use. ENERGY: 2394200 4050.4289 20467.2554 14489.5878 260.3009 -203301.8263 2482.5209 0.0000 0.0000 52139.4477 -109412.2847 299.6461 -161551.7324 -109048.4200 300.1491 362.9633 393.4221 759963.4365 -10.1364 -10.2581 PRESSURE: 2394400 215.302 107.934 -22.1607 107.933 184.706 46.1678 -22.1612 46.1678 -108.079 GPRESSURE: 2394400 266.14 41.7288 -4.93278 10.13 195.591 -19.3554 13.8513 127.114 -76.5317 PRESSAVG: 2394400 16.4202 -15.698 -13.1994 -15.698 -49.1373 -61.7334 -13.1994 -61.7334 -16.0164 GPRESSAVG: 2394400 16.8642 -16.5332 -13.0037 -17.6349 -50.455 -62.4678 -13.8324 -60.6515 -14.5348 TIMING: 2394400 CPU: 7641.88, 0.00318086/step Wall: 7641.88, 0.00318086/step, 2.30224 hours remaining, 234.316406 MB of memory in use. ENERGY: 2394400 3948.2304 20444.4676 14425.3574 256.2969 -203795.3850 2915.0899 0.0000 0.0000 52276.4465 -109529.4964 300.4335 -161805.9429 -109169.8166 299.6284 97.3096 128.3995 758664.8767 -16.2445 -16.0419 PRESSURE: 2394600 -281.764 -174.769 -257.57 -174.769 -605.58 -92.6232 -257.571 -92.6234 127.216 GPRESSURE: 2394600 -249.185 -107.947 -132.113 -83.6642 -487.034 -95.8434 -328.293 34.9863 76.7955 PRESSAVG: 2394600 17.7297 -14.2481 -18.4051 -14.2481 -34.7619 13.4149 -18.405 13.4149 5.17818 GPRESSAVG: 2394600 16.7178 -13.3479 -16.2608 -13.0047 -32.9434 14.508 -20.5349 12.4318 4.4363 TIMING: 2394600 CPU: 7642.52, 0.00319939/step Wall: 7642.52, 0.00319939/step, 2.31547 hours remaining, 234.316406 MB of memory in use. ENERGY: 2394600 3973.0597 20525.9317 14435.3664 240.9763 -202992.8363 2223.1227 0.0000 0.0000 51856.7349 -109737.6445 298.0214 -161594.3794 -109376.4288 299.0703 -253.3762 -219.8079 761467.0680 -3.9513 -3.9298 PRESSURE: 2394800 -409.941 73.1952 15.1634 73.1945 231.77 -51.0946 15.1632 -51.0959 -272.324 GPRESSURE: 2394800 -277.379 60.6411 44.9588 29.187 152.117 79.4683 88.2545 -26.1176 -227.251 PRESSAVG: 2394800 53.8885 13.2199 -38.648 13.2199 -16.9645 5.57726 -38.648 5.57719 14.6534 GPRESSAVG: 2394800 55.3455 12.1293 -39.4982 11.8838 -17.4957 5.35695 -36.2492 6.33109 13.9956 TIMING: 2394800 CPU: 7643.16, 0.00319317/step Wall: 7643.16, 0.00319317/step, 2.31079 hours remaining, 234.316406 MB of memory in use. ENERGY: 2394800 3911.4064 20319.4953 14504.9987 249.1311 -203059.1000 2468.8572 0.0000 0.0000 52041.8021 -109563.4092 299.0850 -161605.2112 -109186.9834 299.0070 -150.1652 -117.5042 761122.8053 17.1925 17.2818 PRESSURE: 2395000 -282.719 150.535 -75.7046 150.534 -275.689 -49.6121 -75.7056 -49.6116 -30.5568 GPRESSURE: 2395000 -164.092 113.319 -38.9018 211.398 -288.736 19.2474 -93.6532 -148.187 -63.0844 PRESSAVG: 2395000 57.2777 -10.2568 -29.9239 -10.2568 -63.5119 8.8738 -29.9239 8.87377 4.14015 GPRESSAVG: 2395000 56.0268 -6.74037 -30.4754 -10.5993 -62.5419 9.51695 -27.8932 5.93678 4.10727 TIMING: 2395000 CPU: 7643.79, 0.00318401/step Wall: 7643.79, 0.00318401/step, 2.30398 hours remaining, 234.316406 MB of memory in use. ENERGY: 2395000 4066.0328 20537.9333 14429.7461 257.5333 -203409.1138 2543.4136 0.0000 0.0000 51983.4119 -109591.0426 298.7494 -161574.4546 -109226.9649 299.1675 -196.3216 -171.9707 761538.5552 -0.6980 -0.8026 PRESSURE: 2395200 348.764 -21.4945 150.136 -21.4949 -23.7053 -43.7787 150.136 -43.7785 -388.17 GPRESSURE: 2395200 296.813 -32.1618 117.595 -6.48588 30.9233 31.783 151.905 21.6222 -306.321 PRESSAVG: 2395200 -0.137673 61.7462 13.1392 61.7461 -47.0577 18.9127 13.1393 18.9127 -23.0541 GPRESSAVG: 2395200 -0.496461 59.17 12.5579 62.6853 -46.9491 17.481 11.2166 19.6485 -22.2222 TIMING: 2395200 CPU: 7644.43, 0.00319975/step Wall: 7644.43, 0.00319975/step, 2.31519 hours remaining, 234.316406 MB of memory in use. ENERGY: 2395200 3971.5066 20568.7414 14506.3925 234.7234 -203594.9798 2862.6460 0.0000 0.0000 51951.7317 -109499.2383 298.5673 -161450.9699 -109130.5465 299.2961 -21.0371 7.1385 761175.2982 -23.4165 -23.2226 PRESSURE: 2395400 134.748 -71.3564 -58.2603 -71.3564 -83.0199 65.8252 -58.2608 65.8262 -130.807 GPRESSURE: 2395400 108.002 -39.7087 -38.8407 -42.4305 -2.50544 85.2462 -62.6605 119.1 -88.6259 PRESSAVG: 2395400 20.4371 5.30479 -54.2996 5.30485 -2.97794 -27.9565 -54.2997 -27.9567 -7.11187 GPRESSAVG: 2395400 20.187 4.94899 -53.7899 6.16923 -3.12852 -26.1967 -54.9392 -29.4583 -7.05677 TIMING: 2395400 CPU: 7645.07, 0.00320251/step Wall: 7645.07, 0.00320251/step, 2.31702 hours remaining, 234.316406 MB of memory in use. ENERGY: 2395400 3935.6169 20475.2145 14446.6210 240.2634 -203376.7429 2584.9631 0.0000 0.0000 52486.1973 -109207.8667 301.6389 -161694.0640 -108834.8704 299.6545 -26.3595 5.6237 761145.9622 3.4491 3.3339 PRESSURE: 2395600 -460.876 186.521 44.6708 186.521 159.927 177.92 44.6708 177.92 -81.8773 GPRESSURE: 2395600 -332.054 148.917 -9.00763 211.505 128.742 17.0274 149.226 171.147 -79.1404 PRESSAVG: 2395600 79.1279 -18.0407 -69.7845 -18.0407 -19.0792 60.6481 -69.7845 60.6482 -4.74884 GPRESSAVG: 2395600 77.8995 -17.9892 -69.7522 -17.7642 -18.3101 58.4888 -68.8416 63.1656 -4.27501 TIMING: 2395600 CPU: 7645.71, 0.00319684/step Wall: 7645.71, 0.00319684/step, 2.31273 hours remaining, 234.316406 MB of memory in use. ENERGY: 2395600 3964.6052 20515.0275 14439.5773 241.4140 -203614.1437 2741.7749 0.0000 0.0000 52594.4411 -109117.3036 302.2610 -161711.7448 -108751.3420 301.0273 -127.6090 -94.1511 762170.9329 18.4333 18.4381 PRESSURE: 2395800 -81.7385 -79.2837 23.5123 -79.2839 19.6401 -128.751 23.5123 -128.752 439.143 GPRESSURE: 2395800 -40.1435 -187.652 -58.0545 -153.986 1.59855 -30.5726 -27.6564 -50.7929 503.306 PRESSAVG: 2395800 -9.97572 5.87032 -23.209 5.87036 -24.8907 27.5211 -23.209 27.5211 6.16688 GPRESSAVG: 2395800 -9.4787 6.51856 -23.2573 5.25868 -25.3224 30.3813 -23.1133 26.9198 6.08745 TIMING: 2395800 CPU: 7646.35, 0.00319229/step Wall: 7646.35, 0.00319229/step, 2.30927 hours remaining, 234.316406 MB of memory in use. ENERGY: 2395800 3963.7931 20501.0742 14531.0583 240.7382 -203292.0866 2900.1576 0.0000 0.0000 52085.3289 -109069.9363 299.3351 -161155.2652 -108701.4260 300.4527 125.6816 154.9204 762383.4793 -9.5665 -9.5712 PRESSURE: 2396000 269.979 -92.3585 -260.596 -92.3597 -208.979 -209.86 -260.597 -209.86 -202.435 GPRESSURE: 2396000 159.941 -25.5961 -238.595 -69.4682 -148.482 -216.935 -153.243 -268.889 -86.3012 PRESSAVG: 2396000 27.9991 16.5783 -77.1422 16.5784 -3.38345 -77.164 -77.1422 -77.164 19.7751 GPRESSAVG: 2396000 27.9766 16.5065 -76.1391 16.0355 -3.54663 -79.5349 -77.1711 -75.9585 19.0717 TIMING: 2396000 CPU: 7646.98, 0.00316934/step Wall: 7646.98, 0.00316934/step, 2.29249 hours remaining, 234.316406 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: 2396000 4004.4998 20565.3842 14413.7555 248.3868 -202882.7909 2417.2947 0.0000 0.0000 51872.7114 -109360.7585 298.1132 -161233.4699 -108994.9951 299.7529 -47.1454 -24.9473 761767.4479 14.7969 14.5006 PRESSURE: 2396200 -58.1716 -80.0237 175.224 -80.0232 110.119 199.443 175.224 199.443 179.991 GPRESSURE: 2396200 3.64146 -93.7277 134.628 -9.29454 177.259 178.638 87.9561 209.408 145.429 PRESSAVG: 2396200 8.68879 15.3361 -57.6948 15.336 -11.4342 21.4277 -57.6948 21.4277 3.2506 GPRESSAVG: 2396200 8.44412 15.9125 -58.5133 16.8273 -11.8436 22.6186 -59.7919 21.2865 4.46758 TIMING: 2396200 CPU: 7647.62, 0.00317623/step Wall: 7647.62, 0.00317624/step, 2.2973 hours remaining, 234.316406 MB of memory in use. ENERGY: 2396200 4003.7107 20352.9509 14486.6484 278.7561 -203383.5034 2628.1122 0.0000 0.0000 52327.8764 -109305.4487 300.7290 -161633.3251 -108939.5535 299.3543 77.3125 108.7765 759175.0506 0.1684 0.3560 LDB: ============= START OF LOAD BALANCING ============== 7660.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7660.05 LDB: =============== DONE WITH MIGRATION ================ 7660.05 LDB: ============= START OF LOAD BALANCING ============== 7660.37 LDB: Largest compute 7033 load 0.035440 is 18.1% of average load 0.195372 LDB: Average compute 0.004410 is 2.3% of average load 0.195372 LDB: TIME 7660.37 LOAD: AVG 0.195372 MAX 0.211256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.633 MB LDB: TIME 7660.37 LOAD: AVG 0.195372 MAX 0.211256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: TIME 7660.37 LOAD: AVG 0.195372 MAX 0.211256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: ============== END OF LOAD BALANCING =============== 7660.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7660.38 PRESSURE: 2396400 174.366 247.719 223.608 247.72 54.34 -260.94 223.609 -260.939 45.6478 GPRESSURE: 2396400 243.024 278.719 189.112 194.979 59.3276 -245.329 190.391 -241.14 46.8347 PRESSAVG: 2396400 22.154 39.8012 -22.7265 39.8012 -15.8097 -37.51 -22.7265 -37.5099 -23.834 GPRESSAVG: 2396400 23.1441 39.9537 -20.8675 40.377 -15.671 -36.3679 -22.0683 -39.1835 -24.792 TIMING: 2396400 CPU: 7648.27, 0.00325365/step Wall: 7648.27, 0.00325365/step, 2.35311 hours remaining, 232.648438 MB of memory in use. ENERGY: 2396400 4022.3000 20562.8949 14484.2679 247.5539 -203588.3054 2678.6566 0.0000 0.0000 52291.4497 -109301.1824 300.5197 -161592.6321 -108945.8506 299.9765 91.4514 116.3955 759851.1927 -5.8299 -5.7730 PRESSURE: 2396600 46.8373 111.767 62.6657 111.767 -35.1492 -251.18 62.6667 -251.18 0.814138 GPRESSURE: 2396600 130.35 132.615 35.8435 138.879 -64.5485 -136.516 72.596 -262.136 40.7925 PRESSAVG: 2396600 30.613 -26.4701 -23.2404 -26.4701 -43.8376 -16.5834 -23.2404 -16.5834 -13.3113 GPRESSAVG: 2396600 30.9591 -27.0583 -23.5893 -26.6393 -43.2926 -17.3049 -22.1479 -14.048 -13.6296 TIMING: 2396600 CPU: 7648.91, 0.00318558/step Wall: 7648.91, 0.00318558/step, 2.3037 hours remaining, 232.648438 MB of memory in use. ENERGY: 2396600 4023.3730 20303.9009 14500.8531 222.1723 -203017.3426 2422.6024 0.0000 0.0000 52027.6473 -109516.7937 299.0036 -161544.4410 -109148.2087 300.0934 4.1674 35.5313 762120.8723 -8.8453 -8.6544 PRESSURE: 2396800 -198.805 103.276 -70.9314 103.277 -173.474 -34.6978 -70.9313 -34.6987 -195.945 GPRESSURE: 2396800 -113.05 50.7873 -104.213 55.0713 -230.571 -35.9281 -70.6205 -63.7551 -156.587 PRESSAVG: 2396800 67.5952 -13.235 -52.505 -13.235 -23.6215 5.04152 -52.5051 5.04146 -3.77769 GPRESSAVG: 2396800 68.3468 -15.3539 -54.1531 -14.7684 -24.8688 6.32663 -51.9392 2.8131 -3.41038 TIMING: 2396800 CPU: 7649.55, 0.00321175/step Wall: 7649.55, 0.00321175/step, 2.32246 hours remaining, 232.648438 MB of memory in use. ENERGY: 2396800 3998.5274 20542.6028 14482.5695 250.0697 -203327.7795 2469.7867 0.0000 0.0000 51952.6156 -109631.6079 298.5724 -161584.2235 -109274.2034 299.4617 -189.4080 -166.7358 761934.7357 13.3987 13.3559 PRESSURE: 2397000 -293.571 -37.9863 360.9 -37.9859 -215.497 43.7421 360.9 43.7437 -81.4192 GPRESSURE: 2397000 -304.755 76.1342 317.795 -86.4601 -98.7105 76.0115 203.504 44.4588 -91.3066 PRESSAVG: 2397000 15.395 -45.7597 -22.3886 -45.7598 -17.6592 24.4299 -22.3885 24.4299 -13.2649 GPRESSAVG: 2397000 15.1685 -42.3475 -22.4219 -45.0789 -16.4976 23.4292 -24.8143 24.4597 -13.8122 TIMING: 2397000 CPU: 7650.19, 0.00317331/step Wall: 7650.19, 0.00317331/step, 2.29448 hours remaining, 232.648438 MB of memory in use. ENERGY: 2397000 3948.2076 20461.2913 14452.0119 260.4355 -203233.1878 2418.5926 0.0000 0.0000 52219.7664 -109472.8824 300.1077 -161692.6489 -109104.6747 299.3567 -196.8291 -164.9240 762029.5254 -5.1764 -5.0471 PRESSURE: 2397200 -143.481 -65.0437 -60.5808 -65.0435 139.575 -38.9732 -60.5814 -38.9746 -326.016 GPRESSURE: 2397200 -49.1296 -128.685 -23.3668 -111.812 108.58 21.475 -58.6596 -20.7741 -313.573 PRESSAVG: 2397200 6.772 -23.87 4.96438 -23.87 -45.0207 26.4166 4.96446 26.4165 -1.9802 GPRESSAVG: 2397200 7.3992 -25.7106 5.57436 -24.0059 -45.506 26.0303 5.71519 27.2499 -2.49304 TIMING: 2397200 CPU: 7650.82, 0.00318257/step Wall: 7650.82, 0.00318257/step, 2.30099 hours remaining, 232.648438 MB of memory in use. ENERGY: 2397200 3959.0677 20466.6204 14504.3910 246.8890 -203294.8872 2462.5224 0.0000 0.0000 52172.6854 -109482.7114 299.8371 -161655.3968 -109119.9856 299.4111 -109.9738 -84.7074 762159.4347 -13.4096 -13.5333 PRESSURE: 2397400 75.436 8.23014 -105.284 8.23074 -37.923 94.9507 -105.284 94.9518 -275.055 GPRESSURE: 2397400 64.2844 6.70659 -59.7735 8.93765 -22.8715 103.099 -156.887 44.6506 -204.258 PRESSAVG: 2397400 15.9872 -36.6333 -40.5712 -36.6333 -25.1888 11.2575 -40.5712 11.2574 -9.2632 GPRESSAVG: 2397400 14.9502 -36.7003 -39.2572 -35.461 -25.3099 13.2745 -41.0259 8.43264 -8.17057 TIMING: 2397400 CPU: 7651.46, 0.00317362/step Wall: 7651.46, 0.00317361/step, 2.29435 hours remaining, 232.648438 MB of memory in use. ENERGY: 2397400 4000.3504 20566.2050 14516.6073 249.4080 -203351.3688 2510.7944 0.0000 0.0000 52122.8339 -109385.1698 299.5506 -161508.0037 -109015.2607 299.4018 -79.1808 -54.2818 762863.6995 -6.1549 -6.1768 PRESSURE: 2397600 -42.4335 -68.5097 171.905 -68.5111 110.158 -105.756 171.905 -105.755 -466.422 GPRESSURE: 2397600 39.4474 -66.0429 51.0066 82.7161 106.637 -4.64013 185.771 -86.647 -467.8 PRESSAVG: 2397600 39.6752 23.3439 -34.1248 23.3439 -2.92619 1.65849 -34.1248 1.65851 8.33135 GPRESSAVG: 2397600 41.1585 25.2776 -35.3232 21.8642 -2.80083 -0.825228 -32.4985 1.89388 7.65907 TIMING: 2397600 CPU: 7652.09, 0.00319174/step Wall: 7652.09, 0.00319174/step, 2.30728 hours remaining, 232.648438 MB of memory in use. ENERGY: 2397600 4042.9817 20527.2750 14424.7596 240.5001 -203305.8168 2565.0389 0.0000 0.0000 51993.0945 -109512.1670 298.8050 -161505.2614 -109142.9032 299.4736 -132.8992 -107.2384 761761.8515 15.0268 15.3389 PRESSURE: 2397800 -107.903 44.7658 10.3171 44.7664 253.611 -10.9079 10.317 -10.9076 -18.558 GPRESSURE: 2397800 -11.4112 -15.2599 -48.3468 161.17 266.109 71.7992 -33.8782 -13.0801 -44.0871 PRESSAVG: 2397800 4.83813 38.3981 -33.3183 38.3981 30.0773 15.3871 -33.3183 15.3871 -2.67714 GPRESSAVG: 2397800 4.18423 38.2588 -32.9892 38.2218 30.2724 15.1009 -33.3409 17.8147 -2.51891 TIMING: 2397800 CPU: 7652.73, 0.00317425/step Wall: 7652.73, 0.00317425/step, 2.29445 hours remaining, 232.648438 MB of memory in use. ENERGY: 2397800 4047.1136 20688.7973 14461.8005 252.1886 -203452.8846 2541.5907 0.0000 0.0000 51960.3153 -109501.0786 298.6166 -161461.3939 -109148.7063 298.8224 42.3834 70.2034 761125.9647 10.7461 10.6459 PRESSURE: 2398000 104.626 13.0524 99.3265 13.052 9.40199 41.6241 99.3264 41.6245 44.0281 GPRESSURE: 2398000 169.443 -0.770073 186.91 -38.0173 83.8525 -9.06682 132.892 88.3593 -7.3714 PRESSAVG: 2398000 -38.9652 -32.0369 -56.5284 -32.0369 68.0365 -18.5805 -56.5284 -18.5806 0.489225 GPRESSAVG: 2398000 -38.034 -33.0339 -55.7379 -28.5123 67.9209 -19.7804 -57.5789 -19.6315 0.112993 TIMING: 2398000 CPU: 7653.36, 0.00316173/step Wall: 7653.36, 0.00316173/step, 2.28523 hours remaining, 232.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2398000 4002.1278 20401.4510 14454.3350 253.1073 -202960.4872 2192.6316 0.0000 0.0000 51976.1205 -109680.7140 298.7075 -161656.8345 -109308.8615 299.0036 52.6855 81.9745 760479.2230 9.8535 10.0000 PRESSURE: 2398200 53.7596 22.9765 -143.27 22.9764 -158.705 89.886 -143.269 89.8859 -54.5262 GPRESSURE: 2398200 60.0015 -6.20807 -152.864 -25.6514 -115.31 165.432 -188.407 118.486 -16.7115 PRESSAVG: 2398200 -41.6554 -15.4282 10.2412 -15.4282 58.0608 -12.2 10.2412 -12.2 1.33886 GPRESSAVG: 2398200 -41.9541 -16.0782 10.4687 -15.9673 59.5888 -10.108 9.08839 -12.2195 0.515999 TIMING: 2398200 CPU: 7653.99, 0.00316395/step Wall: 7653.99, 0.00316395/step, 2.28666 hours remaining, 232.648438 MB of memory in use. ENERGY: 2398200 3909.7050 20361.7594 14434.0222 256.1077 -202957.4015 2173.4429 0.0000 0.0000 51968.6569 -109853.7073 298.6646 -161822.3643 -109501.6201 298.9435 -53.1574 -24.0068 760023.7290 5.9148 6.0502 PRESSURE: 2398400 -56.1954 41.9347 -30.2103 41.9343 22.284 82.7204 -30.2099 82.7208 364.057 GPRESSURE: 2398400 -98.7554 28.6783 -70.2394 -78.6702 84.4187 26.6824 48.1479 38.3332 441.797 PRESSAVG: 2398400 -22.9887 9.38576 13.7241 9.38581 45.4271 46.3036 13.7241 46.3036 32.3565 GPRESSAVG: 2398400 -23.8906 10.4802 13.059 6.95709 45.1979 45.7186 15.6308 45.786 33.8678 TIMING: 2398400 CPU: 7654.63, 0.00319111/step Wall: 7654.63, 0.00319111/step, 2.30611 hours remaining, 232.648438 MB of memory in use. ENERGY: 2398400 3901.5111 20213.6721 14455.1962 246.1667 -203348.4105 2516.9025 0.0000 0.0000 52041.9365 -109973.0255 299.0857 -162014.9620 -109600.6804 298.5804 110.0484 142.4869 761655.4081 18.2649 18.3917 PRESSURE: 2398600 -570.531 -53.8377 24.2953 -53.8381 -250.625 203.061 24.2954 203.061 -489.266 GPRESSURE: 2398600 -372.189 -77.3021 -35.4527 34.1887 -311.887 103.913 94.1748 125.643 -542.177 PRESSAVG: 2398600 -3.29456 6.01566 -21.487 6.01556 -26.9642 26.1577 -21.4871 26.1576 0.481987 GPRESSAVG: 2398600 -2.30464 4.89827 -21.8975 7.18904 -27.3546 26.1413 -23.1435 25.5688 -0.147703 TIMING: 2398600 CPU: 7655.27, 0.00318627/step Wall: 7655.27, 0.00318627/step, 2.30243 hours remaining, 232.648438 MB of memory in use. ENERGY: 2398600 4051.8461 20454.3700 14443.7082 233.3220 -203226.5338 2503.5539 0.0000 0.0000 51833.0997 -109706.6339 297.8855 -161539.7335 -109355.7311 298.2643 -436.8072 -408.7512 763623.7144 -9.9256 -9.9356 PRESSURE: 2398800 -52.7262 -135.71 5.77331 -135.711 135.72 28.176 5.77339 28.1762 -51.6022 GPRESSURE: 2398800 -74.3459 -61.1788 19.6146 -199.123 182.369 58.8966 81.5002 -19.5698 12.0163 PRESSAVG: 2398800 7.32963 -22.149 2.47146 -22.149 25.7415 33.2835 2.47147 33.2835 2.05676 GPRESSAVG: 2398800 6.39153 -19.7273 3.56595 -23.0609 26.3343 34.5122 3.74431 32.7766 1.88955 TIMING: 2398800 CPU: 7655.91, 0.00317892/step Wall: 7655.91, 0.00317892/step, 2.29695 hours remaining, 232.648438 MB of memory in use. ENERGY: 2398800 4016.5262 20371.9237 14458.6166 246.4105 -203317.0215 2375.6364 0.0000 0.0000 52243.4552 -109604.4528 300.2439 -161847.9080 -109231.7220 299.0273 10.4638 40.0131 761338.8401 11.7093 11.5385 PRESSURE: 2399000 -61.1161 -116.645 -164.946 -116.645 -124.992 27.6347 -164.947 27.6335 -8.95912 GPRESSURE: 2399000 42.4994 -132.945 -255.38 -74.3012 -130.13 37.8975 -111.685 14.0736 -6.15531 PRESSAVG: 2399000 -6.54054 -0.850526 -0.798278 -0.850556 35.1177 -37.5978 -0.798299 -37.5978 2.66588 GPRESSAVG: 2399000 -3.79678 -1.50403 -1.41881 -0.245572 33.6982 -37.9579 1.28001 -36.1928 1.28964 TIMING: 2399000 CPU: 7656.54, 0.00319487/step Wall: 7656.54, 0.00319487/step, 2.30829 hours remaining, 232.648438 MB of memory in use. ENERGY: 2399000 3936.1320 20477.5177 14363.7788 250.0890 -203437.2039 2517.3820 0.0000 0.0000 52307.2515 -109585.0530 300.6105 -161892.3045 -109216.2667 299.1375 -65.0223 -31.2619 761367.5407 10.4144 10.3970 PRESSURE: 2399200 -49.1403 72.7674 -216.841 72.7669 -21.281 61.4077 -216.84 61.407 360.697 GPRESSURE: 2399200 -89.3137 94.47 -175.388 87.8358 82.9236 52.9799 -164.536 13.6749 369.604 PRESSAVG: 2399200 -31.7796 29.1138 -39.0231 29.1138 65.3669 10.0336 -39.0231 10.0336 15.4393 GPRESSAVG: 2399200 -34.0783 29.0981 -37.7514 29.6464 66.8166 9.16627 -38.8778 10.2324 16.1835 TIMING: 2399200 CPU: 7657.19, 0.00324126/step Wall: 7657.19, 0.00324126/step, 2.34163 hours remaining, 232.648438 MB of memory in use. ENERGY: 2399200 3958.8605 20428.3296 14423.7991 262.6855 -203539.0726 2765.3520 0.0000 0.0000 52056.1602 -109643.8857 299.1675 -161700.0459 -109280.9853 298.8832 96.7585 121.0713 762239.5310 16.3422 16.3073 PRESSURE: 2399400 -18.2249 288.086 -86.6515 288.086 -52.9297 -66.3062 -86.6501 -66.3068 -78.2329 GPRESSURE: 2399400 67.9775 280.181 -104.079 307.565 -36.1823 -83.5197 13.7726 -80.8845 -78.5396 PRESSAVG: 2399400 37.7425 37.5024 33.6746 37.5024 -56.5899 5.76146 33.6746 5.76142 -12.4388 GPRESSAVG: 2399400 39.4143 37.1651 30.7199 37.0682 -57.436 4.39026 35.0055 6.58505 -13.7485 TIMING: 2399400 CPU: 7657.84, 0.00322042/step Wall: 7657.84, 0.00322042/step, 2.3264 hours remaining, 232.648438 MB of memory in use. ENERGY: 2399400 3923.1574 20356.6147 14407.4850 267.7157 -203612.4783 2716.7083 0.0000 0.0000 52106.6221 -109834.1751 299.4575 -161940.7972 -109471.9421 298.7939 -49.7958 -15.5815 761034.9081 -10.4288 -10.5900 PRESSURE: 2399600 -194.114 138.398 34.2828 138.398 22.6672 -161.936 34.2826 -161.937 -330.122 GPRESSURE: 2399600 -144.913 -15.6877 67.3816 147.682 -0.403563 -108.798 83.2342 -89.4306 -267.947 PRESSAVG: 2399600 0.338311 8.36062 5.54546 8.36063 44.6363 -37.4464 5.54545 -37.4464 -2.33055 GPRESSAVG: 2399600 -0.195355 7.84696 7.95426 8.90609 43.6814 -37.0153 2.22426 -38.5794 -0.936814 TIMING: 2399600 CPU: 7658.47, 0.00318024/step Wall: 7658.47, 0.00318024/step, 2.29719 hours remaining, 232.648438 MB of memory in use. ENERGY: 2399600 3921.3450 20289.7211 14421.8016 244.6951 -203351.4231 2610.1450 0.0000 0.0000 51957.1504 -109906.5649 298.5985 -161863.7153 -109542.5116 298.8383 -167.1893 -137.7545 760978.3771 14.2147 14.1831 PRESSURE: 2399800 -208.663 -90.6748 -10.6633 -90.6749 146.121 -4.00733 -10.6635 -4.00838 -72.1602 GPRESSURE: 2399800 -139.914 -166.435 24.8144 -79.8039 193.2 63.0985 7.07512 -25.8359 -90.5031 PRESSAVG: 2399800 33.5578 -52.9406 62.9605 -52.9406 -17.2679 -62.3164 62.9605 -62.3165 -5.55194 GPRESSAVG: 2399800 33.3985 -51.6081 62.8856 -52.2143 -17.2688 -60.09 63.432 -62.3309 -5.41729 TIMING: 2399800 CPU: 7659.11, 0.00316617/step Wall: 7659.11, 0.00316617/step, 2.28686 hours remaining, 232.648438 MB of memory in use. ENERGY: 2399800 3854.2004 20324.0042 14456.9993 263.0701 -203463.2498 2686.7576 0.0000 0.0000 52022.0334 -109856.1848 298.9713 -161878.2182 -109494.9917 298.5621 -44.9008 -12.4058 761013.0324 3.5793 3.5708 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400000 -219.298 -162.016 94.1827 -162.016 -6.52853 -200.14 94.1836 -200.139 -82.3913 GPRESSURE: 2400000 -213.287 -158.901 88.8429 -195.109 156.934 -203.279 175.16 -165.241 -187.468 PRESSAVG: 2400000 0.665478 -80.2077 54.6719 -80.2077 -0.00423666 -84.4084 54.672 -84.4084 -18.0918 GPRESSAVG: 2400000 0.32753 -80.4387 53.3752 -83.0749 -0.0360028 -85.5722 54.5929 -85.1858 -18.4239 TIMING: 2400000 CPU: 7659.76, 0.00327754/step Wall: 7659.76, 0.00327754/step, 2.36711 hours remaining, 232.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2400000 3949.9949 20388.3536 14448.3195 262.0666 -203256.4520 2540.1666 0.0000 0.0000 51758.9505 -109908.6004 297.4594 -161667.5509 -109544.6148 298.4526 -102.7393 -81.2736 760248.5018 -5.8102 -6.0441 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 PRESSURE: 2400200 162.029 -7.48324 -153.506 -7.48467 -17.3156 -17.7197 -153.506 -17.7192 229.634 GPRESSURE: 2400200 126.607 58.3358 -163.6 -91.2917 16.2628 79.2277 -114.277 -105.658 324.437 PRESSAVG: 2400200 14.7122 -50.244 15.5924 -50.2439 -7.33894 5.40175 15.5924 5.40174 16.417 GPRESSAVG: 2400200 14.3256 -50.5582 16.6128 -49.8609 -7.44269 5.63459 16.0301 5.87294 16.6396 TIMING: 2400200 CPU: 7660.4, 0.0032087/step Wall: 7660.4, 0.0032087/step, 2.31722 hours remaining, 232.773438 MB of memory in use. ENERGY: 2400200 3874.7253 20605.8429 14431.0717 257.0762 -203762.5386 2837.4627 0.0000 0.0000 52062.4991 -109693.8607 299.2039 -161756.3598 -109331.7514 297.7955 124.7824 155.7688 760060.9593 7.9301 7.8408 LDB: ============= START OF LOAD BALANCING ============== 7672.83 LDB: ============== END OF LOAD BALANCING =============== 7672.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7672.83 LDB: ============= START OF LOAD BALANCING ============== 7673.15 LDB: Largest compute 7033 load 0.037052 is 19.0% of average load 0.195370 LDB: Average compute 0.004408 is 2.3% of average load 0.195370 LDB: TIME 7673.16 LOAD: AVG 0.19537 MAX 0.214365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.09 MB LDB: TIME 7673.16 LOAD: AVG 0.19537 MAX 0.214365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.09 MB LDB: TIME 7673.16 LOAD: AVG 0.19537 MAX 0.214365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.09 MB LDB: ============== END OF LOAD BALANCING =============== 7673.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7673.16 PRESSURE: 2400400 7.62378 -26.9482 -45.4293 -26.9487 50.9038 -214.195 -45.4283 -214.194 451.325 GPRESSURE: 2400400 102.42 -7.08599 -68.6826 -53.4034 78.7415 -217.064 -62.5695 -175.249 421.259 PRESSAVG: 2400400 21.9103 -0.131932 -2.40146 -0.131924 -0.918861 -12.5209 -2.40147 -12.5209 -6.46411 GPRESSAVG: 2400400 22.3565 -0.266888 -2.45198 2.21757 -0.500151 -11.5687 -3.78776 -13.5208 -7.20218 TIMING: 2400400 CPU: 7661.06, 0.00327482/step Wall: 7661.06, 0.00327482/step, 2.36478 hours remaining, 233.562500 MB of memory in use. ENERGY: 2400400 3959.3534 20499.3067 14521.2801 244.8352 -203716.1178 2851.1907 0.0000 0.0000 51998.3548 -109641.7968 298.8353 -161640.1516 -109277.0666 298.7782 169.9508 200.8067 759610.3183 4.8424 4.8847 PRESSURE: 2400600 -66.7096 94.4752 17.0222 94.4757 -31.5808 53.3116 17.0217 53.3106 -158.093 GPRESSURE: 2400600 -5.19925 -25.1826 -1.38543 118.857 -55.0403 -42.7812 44.4071 143.817 -105.315 PRESSAVG: 2400600 10.4859 -40.2419 9.18836 -40.2419 3.89829 45.624 9.18837 45.624 9.52556 GPRESSAVG: 2400600 11.5933 -39.6025 8.55223 -41.2752 2.23882 45.4154 10.2244 48.6237 10.0279 TIMING: 2400600 CPU: 7661.69, 0.00318118/step Wall: 7661.69, 0.00318118/step, 2.29699 hours remaining, 233.757812 MB of memory in use. ENERGY: 2400600 4013.1979 20495.4111 14435.9884 248.6369 -203541.1956 2605.1827 0.0000 0.0000 51931.3842 -109811.3943 298.4504 -161742.7785 -109447.3976 298.8962 -85.4613 -55.1848 761689.3322 7.9699 7.9533 PRESSURE: 2400800 211.216 51.7081 76.2862 51.7085 -162.453 -0.588478 76.2865 -0.588965 163.213 GPRESSURE: 2400800 357.283 59.7903 32.8969 121.333 -153.794 -17.6908 174.171 -45.1499 108.143 PRESSAVG: 2400800 26.2175 -9.22937 -1.99948 -9.22935 -23.363 30.4003 -1.99948 30.4003 12.7687 GPRESSAVG: 2400800 26.5869 -9.93692 -0.618135 -10.2937 -22.2695 29.1866 -1.77518 28.8318 11.8901 TIMING: 2400800 CPU: 7662.34, 0.00320536/step Wall: 7662.34, 0.00320536/step, 2.31427 hours remaining, 233.957031 MB of memory in use. ENERGY: 2400800 3963.2352 20468.1948 14533.3801 248.0689 -203580.0024 2448.6093 0.0000 0.0000 51932.4105 -109986.1035 298.4563 -161918.5140 -109624.2090 298.4567 70.6586 103.8774 759876.8862 5.2077 5.4025 PRESSURE: 2401000 -110.514 2.66639 -9.66573 2.66631 -54.2881 -76.9626 -9.66492 -76.963 227.448 GPRESSURE: 2401000 -88.2458 -55.4935 19.1099 35.8754 -49.677 -139.433 -55.1493 8.26311 307.844 PRESSAVG: 2401000 55.0814 -35.2037 24.9361 -35.2037 -35.3071 -2.46166 24.9361 -2.46167 7.24213 GPRESSAVG: 2401000 53.2678 -33.7261 23.9569 -35.7854 -34.478 -1.35654 26.219 -1.1783 7.88856 TIMING: 2401000 CPU: 7662.98, 0.00320244/step Wall: 7662.98, 0.00320244/step, 2.31198 hours remaining, 234.160156 MB of memory in use. ENERGY: 2401000 3966.1307 20462.6106 14343.3347 247.9405 -203656.2468 2603.4092 0.0000 0.0000 52312.2772 -109720.5439 300.6394 -162032.8211 -109355.9681 298.8087 20.8821 56.6403 759548.9939 9.0055 8.8928 PRESSURE: 2401200 350.694 -65.041 -50.7789 -65.0416 40.8306 -26.191 -50.7796 -26.1914 -86.4097 GPRESSURE: 2401200 306.273 2.28564 -37.9717 -97.7878 128.099 -10.938 -25.3386 43.0361 -34.0618 PRESSAVG: 2401200 23.6261 8.582 23.2791 8.58202 -17.8078 -20.6335 23.2791 -20.6336 -5.22078 GPRESSAVG: 2401200 25.1304 8.75759 23.4373 8.82821 -19.8346 -21.2553 22.9818 -21.4223 -5.30583 TIMING: 2401200 CPU: 7663.62, 0.0032188/step Wall: 7663.62, 0.0032188/step, 2.32362 hours remaining, 234.160156 MB of memory in use. ENERGY: 2401200 3982.2701 20386.2190 14386.4333 220.9341 -203443.1142 2638.6854 0.0000 0.0000 51953.9491 -109874.6233 298.5801 -161828.5724 -109509.5590 298.9270 101.7049 133.4365 759373.4384 0.1992 -0.0034 PRESSURE: 2401400 200.136 -181.429 25.4987 -181.429 158.332 197.356 25.4984 197.355 -53.8945 GPRESSURE: 2401400 183.326 -224.775 -24.6042 -142.848 207.327 113.679 87.7769 160.413 -11.8944 PRESSAVG: 2401400 36.3291 25.208 50.0114 25.2079 -34.5087 18.3075 50.0114 18.3075 -21.4521 GPRESSAVG: 2401400 35.1645 25.2858 50.9594 26.6238 -32.5729 18.3971 48.6864 18.5081 -22.0175 TIMING: 2401400 CPU: 7664.26, 0.0032165/step Wall: 7664.26, 0.0032165/step, 2.32178 hours remaining, 234.160156 MB of memory in use. ENERGY: 2401400 3983.2661 20411.7083 14525.2048 240.0656 -203982.5438 2781.4680 0.0000 0.0000 52243.3992 -109797.4316 300.2435 -162040.8309 -109436.2846 298.7963 101.5244 126.2528 758871.7723 -6.5439 -6.4753 PRESSURE: 2401600 -132.237 -5.17395 60.8545 -5.17348 -312.954 180.068 60.8545 180.068 -256.486 GPRESSURE: 2401600 -80.3232 77.0423 70.7548 70.0763 -317.137 253.646 163.842 77.0075 -234.027 PRESSAVG: 2401600 38.178 18.5574 -20.4586 18.5574 -9.84168 -12.7725 -20.4586 -12.7726 -1.45733 GPRESSAVG: 2401600 38.6162 20.5877 -21.941 18.6115 -10.157 -12.2015 -18.9116 -15.5885 -1.73238 TIMING: 2401600 CPU: 7664.91, 0.003228/step Wall: 7664.91, 0.003228/step, 2.3299 hours remaining, 234.160156 MB of memory in use. ENERGY: 2401600 4038.5422 20579.6169 14373.5045 243.4665 -203526.4623 2423.3574 0.0000 0.0000 51968.1234 -109899.8513 298.6615 -161867.9747 -109538.7082 298.9661 -233.8925 -210.4956 759968.5153 8.9597 8.9090 PRESSURE: 2401800 377.482 1.91846 -169.015 1.91822 62.3365 -20.5852 -169.014 -20.5843 -237.08 GPRESSURE: 2401800 289.152 -174.253 -179.337 10.5914 114.193 50.5234 -126.422 49.2794 -107.965 PRESSAVG: 2401800 23.4322 2.42542 9.87779 2.4254 -27.375 2.7602 9.87783 2.76025 7.7157 GPRESSAVG: 2401800 22.0807 -2.87495 9.28361 2.24282 -26.3597 1.71639 8.33201 5.6113 8.21861 TIMING: 2401800 CPU: 7665.55, 0.00320298/step Wall: 7665.55, 0.00320298/step, 2.31166 hours remaining, 234.160156 MB of memory in use. ENERGY: 2401800 3984.4582 20507.8842 14391.2769 250.0344 -203977.6970 2966.2768 0.0000 0.0000 51969.9898 -109907.7769 298.6722 -161877.7667 -109556.5898 298.7846 67.5794 98.4600 758950.4145 1.2576 1.3132 PRESSURE: 2402000 -452.044 -34.3922 -349.736 -34.3909 -31.7192 -172.256 -349.736 -172.256 146.656 GPRESSURE: 2402000 -337.286 -73.1523 -331.591 -62.5036 -17.3793 -136.436 -262.556 -133.984 114.67 PRESSAVG: 2402000 28.5025 -11.7366 -30.4333 -11.7366 -53.5465 -56.9925 -30.4333 -56.9925 11.5875 GPRESSAVG: 2402000 29.7501 -10.7029 -30.2526 -10.8922 -53.7483 -56.0869 -30.115 -55.113 10.5151 TIMING: 2402000 CPU: 7666.19, 0.00320923/step Wall: 7666.19, 0.00320923/step, 2.316 hours remaining, 234.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2402000 3892.3776 20512.5992 14475.8749 230.0573 -203415.0884 2494.1574 0.0000 0.0000 52246.9194 -109563.1027 300.2638 -161810.0221 -109196.2172 298.9694 -112.3690 -79.9983 760839.8314 -4.4855 -4.4944 PRESSURE: 2402200 253.53 135.327 60.5068 135.327 347.698 164.274 60.5067 164.274 329.225 GPRESSURE: 2402200 381.491 67.3351 83.2203 129.589 318.865 177.075 61.4906 32.762 330.778 PRESSAVG: 2402200 45.5348 -2.46407 -29.2873 -2.46404 -9.30456 6.07953 -29.2873 6.07958 -1.54135 GPRESSAVG: 2402200 46.4923 -0.367953 -27.2298 -3.63044 -10.7867 4.87208 -29.7499 3.76577 -1.16077 TIMING: 2402200 CPU: 7666.84, 0.00321941/step Wall: 7666.84, 0.00321941/step, 2.32316 hours remaining, 234.160156 MB of memory in use. ENERGY: 2402200 3986.3987 20580.2633 14427.0185 246.0169 -203675.9998 2684.7192 0.0000 0.0000 52232.4473 -109519.1360 300.1806 -161751.5832 -109164.8068 299.4670 310.1508 343.7113 760006.8499 11.5630 11.5149 PRESSURE: 2402400 240.557 -35.6979 274.402 -35.6985 10.8949 77.2882 274.402 77.2885 -428.029 GPRESSURE: 2402400 256.21 20.9302 252.133 -65.3595 77.6112 85.3029 237.246 10.1183 -418.532 PRESSAVG: 2402400 40.5661 3.9284 37.4059 3.92839 -60.3297 70.168 37.4058 70.1681 -12.2896 GPRESSAVG: 2402400 39.7943 3.42359 37.3827 3.88414 -60.523 71.2092 38.1274 70.5078 -11.3427 TIMING: 2402400 CPU: 7667.47, 0.00317894/step Wall: 7667.47, 0.00317894/step, 2.29378 hours remaining, 234.160156 MB of memory in use. ENERGY: 2402400 4002.3225 20667.8766 14382.1773 238.8101 -203469.1868 2666.9925 0.0000 0.0000 52027.5559 -109483.4518 299.0031 -161511.0077 -109132.1938 299.9959 -58.8591 -28.2369 760944.6739 -10.6844 -10.6905 PRESSURE: 2402600 95.2655 -35.1665 35.4588 -35.1665 6.66127 -43.7624 35.4587 -43.7623 50.123 GPRESSURE: 2402600 206.978 37.8434 27.7071 -30.1323 -41.7523 -28.0753 -58.5089 29.4625 52.7807 PRESSAVG: 2402600 113.291 -27.7849 -7.84179 -27.7849 -94.7017 2.46018 -7.84175 2.46015 -23.8405 GPRESSAVG: 2402600 113.423 -30.0734 -8.91097 -25.8008 -93.921 2.24616 -8.73987 3.03636 -24.8103 TIMING: 2402600 CPU: 7668.1, 0.00315916/step Wall: 7668.1, 0.00315917/step, 2.27934 hours remaining, 234.160156 MB of memory in use. ENERGY: 2402600 4017.1088 20635.5200 14470.3699 245.6342 -203430.7501 2520.3323 0.0000 0.0000 52060.4377 -109481.3472 299.1921 -161541.7849 -109118.0165 299.7319 50.6832 72.6689 760888.5569 -1.7502 -1.7696 PRESSURE: 2402800 -122.501 -155.127 -18.0398 -155.127 -152.508 -49.4459 -18.0396 -49.4459 -122.788 GPRESSURE: 2402800 -86.6313 -102.983 14.2589 -31.1434 -108.069 45.5931 -140.005 -84.3514 -120.286 PRESSAVG: 2402800 52.2037 -1.27394 -16.3842 -1.27392 -26.8439 -10.0633 -16.3842 -10.0633 6.0968 GPRESSAVG: 2402800 51.8497 0.345659 -16.1097 -0.371848 -26.8249 -10.5944 -16.5675 -10.9142 6.63118 TIMING: 2402800 CPU: 7668.74, 0.00316934/step Wall: 7668.74, 0.00316934/step, 2.2865 hours remaining, 234.160156 MB of memory in use. ENERGY: 2402800 3990.1839 20749.7319 14447.3051 240.5011 -203315.8677 2318.0024 0.0000 0.0000 52051.0327 -109519.1106 299.1380 -161570.1433 -109161.3079 299.7858 -132.5991 -104.9955 760079.1354 10.4856 10.5520 PRESSURE: 2403000 443.282 71.5118 84.8311 71.512 113.36 34.7457 84.8305 34.7462 -191.74 GPRESSURE: 2403000 448.035 -42.9495 171.48 125.09 70.7241 -48.9422 71.7681 72.7337 -62.0032 PRESSAVG: 2403000 72.5643 -9.48981 14.6465 -9.48978 -69.9807 23.1499 14.6465 23.1499 16.1354 GPRESSAVG: 2403000 73.2589 -9.38671 14.6148 -10.8501 -71.5985 23.4264 15.733 23.0382 16.8576 TIMING: 2403000 CPU: 7669.37, 0.00316348/step Wall: 7669.37, 0.00316348/step, 2.2821 hours remaining, 234.160156 MB of memory in use. ENERGY: 2403000 3972.8833 20771.0925 14468.5892 253.6123 -203666.0021 2686.4764 0.0000 0.0000 52056.3237 -109457.0248 299.1684 -161513.3485 -109101.4685 299.7712 121.6337 152.2518 760070.9988 6.2397 6.1727 PRESSURE: 2403200 267.869 162.592 -35.7485 162.592 -20.2977 -135.966 -35.7478 -135.966 -124.432 GPRESSURE: 2403200 288.489 204.29 -32.0219 172.008 -58.9313 -137.611 -29.0102 -266.32 -31.589 PRESSAVG: 2403200 44.5096 29.8321 14.8759 29.8321 -46.8328 46.2156 14.8759 46.2157 -30.3265 GPRESSAVG: 2403200 43.0806 31.1713 15.0936 29.6893 -46.6585 45.3359 12.736 46.2794 -29.3993 TIMING: 2403200 CPU: 7670.01, 0.0031782/step Wall: 7670.01, 0.0031782/step, 2.29254 hours remaining, 234.160156 MB of memory in use. ENERGY: 2403200 4103.0618 20689.6040 14401.7536 244.7275 -203374.9728 2675.4821 0.0000 0.0000 51912.0936 -109348.2502 298.3395 -161260.3439 -109000.2496 299.6013 41.0464 65.9896 760275.6989 -10.8832 -10.9924 PRESSURE: 2403400 -66.0472 82.162 -270.563 82.1625 -160.15 195.046 -270.564 195.046 -292.746 GPRESSURE: 2403400 1.037 114.231 -257.978 130.824 -51.1962 132.639 -153.746 322.775 -373.777 PRESSAVG: 2403400 50.0882 -13.1654 -44.4656 -13.1655 2.04076 5.13388 -44.4656 5.13391 -18.2077 GPRESSAVG: 2403400 49.2526 -12.715 -47.3781 -13.5486 3.15049 5.87274 -42.0917 4.59523 -18.8928 TIMING: 2403400 CPU: 7670.64, 0.00318511/step Wall: 7670.64, 0.00318511/step, 2.29735 hours remaining, 234.160156 MB of memory in use. ENERGY: 2403400 4041.9193 20393.9312 14456.6757 252.8838 -203382.2491 2543.6223 0.0000 0.0000 52266.5942 -109426.6227 300.3768 -161693.2169 -109061.2731 299.7269 -172.9812 -141.3120 761554.8554 11.3071 11.1701 PRESSURE: 2403600 -48.84 -157.372 -24.9723 -157.372 163.498 -283.16 -24.9718 -283.16 -255.239 GPRESSURE: 2403600 63.4218 -76.8729 -50.8628 -176.918 102.859 -233.063 46.3471 -287.519 -205.594 PRESSAVG: 2403600 -4.57126 7.86088 -18.8685 7.86089 -26.3461 -10.0868 -18.8685 -10.0869 11.7904 GPRESSAVG: 2403600 -4.36602 7.94975 -17.7672 7.3245 -26.5655 -10.9837 -19.8093 -10.9475 11.8101 TIMING: 2403600 CPU: 7671.28, 0.00318478/step Wall: 7671.28, 0.00318478/step, 2.29694 hours remaining, 234.160156 MB of memory in use. ENERGY: 2403600 3987.5914 20500.9198 14527.9327 254.7288 -203352.8637 2578.9977 0.0000 0.0000 52034.8007 -109467.8926 299.0447 -161502.6933 -109107.1091 299.2159 -46.8606 -13.1043 761860.9317 -6.3757 -6.3738 PRESSURE: 2403800 19.3801 71.4787 -199.375 71.4784 73.134 -91.1471 -199.374 -91.1455 339.979 GPRESSURE: 2403800 152.544 -31.5302 -217.187 26.8413 -4.11611 -45.274 -188.231 -130.523 360.592 PRESSAVG: 2403800 46.1732 -14.2997 -6.75316 -14.2997 -67.4842 -53.7673 -6.75321 -53.7673 6.45819 GPRESSAVG: 2403800 46.7513 -15.3955 -5.39866 -14.6862 -68.0817 -54.875 -7.79122 -52.3141 6.30169 TIMING: 2403800 CPU: 7671.92, 0.00318132/step Wall: 7671.92, 0.00318132/step, 2.29426 hours remaining, 234.160156 MB of memory in use. ENERGY: 2403800 3954.2003 20563.8974 14469.7577 247.8451 -203098.7848 2416.5859 0.0000 0.0000 51934.2711 -109512.2272 298.4670 -161446.4982 -109152.8867 299.0726 144.1645 169.6733 760429.9640 -4.9510 -5.0096 PRESSURE: 2404000 198.88 -3.36378 -56.4973 -3.36329 209.789 -132.418 -56.4976 -132.418 -140.223 GPRESSURE: 2404000 329.111 17.938 -64.8603 -15.1389 215.861 -128.52 66.826 -104.98 -211.796 PRESSAVG: 2404000 24.0196 -0.324598 -58.3404 -0.32459 -14.115 -58.7396 -58.3405 -58.7396 5.76164 GPRESSAVG: 2404000 24.4416 1.18301 -58.9644 -1.20382 -13.6869 -57.8085 -56.7432 -57.905 4.64142 TIMING: 2404000 CPU: 7672.55, 0.00318567/step Wall: 7672.55, 0.00318567/step, 2.29722 hours remaining, 234.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2404000 4009.6317 20623.1181 14385.4430 237.4493 -203488.9156 2713.5287 0.0000 0.0000 52194.8569 -109324.8878 299.9646 -161519.7448 -108968.5647 299.7717 89.4820 111.0585 762811.0010 5.2221 5.1320 PRESSURE: 2404200 -58.9069 193.649 -125.216 193.649 -45.182 -6.82587 -125.216 -6.82674 246.109 GPRESSURE: 2404200 -13.8288 77.4712 -87.6634 292.088 -11.1288 -102.961 -94.2019 57.6778 250.159 PRESSAVG: 2404200 45.4097 -12.655 -40.9545 -12.6551 -17.6125 11.1251 -40.9546 11.1251 -15.99 GPRESSAVG: 2404200 45.744 -14.5289 -41.0771 -9.85982 -17.8437 12.693 -40.0949 11.0697 -15.9251 TIMING: 2404200 CPU: 7673.19, 0.00318308/step Wall: 7673.19, 0.00318308/step, 2.29518 hours remaining, 234.160156 MB of memory in use. ENERGY: 2404200 4004.1678 20454.4172 14435.6532 241.8024 -203599.4818 2889.6975 0.0000 0.0000 52311.2486 -109262.4951 300.6335 -161573.7437 -108889.1547 300.0228 47.3402 75.0673 762123.2887 3.9357 3.9917 LDB: ============= START OF LOAD BALANCING ============== 7685.61 LDB: ============== END OF LOAD BALANCING =============== 7685.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7685.62 LDB: ============= START OF LOAD BALANCING ============== 7685.94 LDB: Largest compute 7025 load 0.034614 is 17.7% of average load 0.195537 LDB: Average compute 0.004397 is 2.2% of average load 0.195537 LDB: TIME 7685.94 LOAD: AVG 0.195537 MAX 0.212884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.625 MB LDB: TIME 7685.94 LOAD: AVG 0.195537 MAX 0.212884 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.828 MB LDB: TIME 7685.94 LOAD: AVG 0.195537 MAX 0.212884 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.828 MB LDB: ============== END OF LOAD BALANCING =============== 7685.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7685.95 PRESSURE: 2404400 144.101 45.9754 101.965 45.975 177.342 67.8497 101.964 67.8504 -186.969 GPRESSURE: 2404400 158.023 -66.0197 72.7673 19.1552 147.538 7.53635 21.0474 93.8212 -81.3558 PRESSAVG: 2404400 34.8452 -19.0904 43.3188 -19.0903 -39.374 0.686115 43.3187 0.686138 17.4466 GPRESSAVG: 2404400 34.3607 -17.9289 42.7205 -19.0938 -38.8035 0.568114 40.8511 0.468653 18.4365 TIMING: 2404400 CPU: 7673.84, 0.00326658/step Wall: 7673.84, 0.00326658/step, 2.3552 hours remaining, 233.050781 MB of memory in use. ENERGY: 2404400 4039.3143 20740.8350 14488.0880 241.1241 -203698.0312 2745.4767 0.0000 0.0000 52184.7424 -109258.4506 299.9064 -161443.1931 -108901.5049 299.8764 44.8249 74.7352 760194.2665 4.3059 4.6646 PRESSURE: 2404600 -225.755 -32.9919 239.35 -32.9919 90.1958 102.475 239.351 102.476 -351.481 GPRESSURE: 2404600 -174.484 -129.52 255.007 -40.3315 137.827 104.614 194.241 -2.35052 -380.059 PRESSAVG: 2404600 111.298 -29.8075 0.933603 -29.8075 18.6509 32.6951 0.933636 32.6952 1.01102 GPRESSAVG: 2404600 112.329 -32.5564 1.15611 -29.7476 17.9467 32.1714 2.74007 32.9839 0.254652 TIMING: 2404600 CPU: 7674.48, 0.00321091/step Wall: 7674.48, 0.00321091/step, 2.31489 hours remaining, 233.050781 MB of memory in use. ENERGY: 2404600 3977.4871 20356.7253 14492.4258 250.2796 -202888.6975 2475.1804 0.0000 0.0000 51970.3756 -109366.2237 298.6745 -161336.5994 -109007.5713 299.5581 -162.3467 -138.9052 761586.8749 43.6532 43.5101 PRESSURE: 2404800 85.2589 -19.8217 -114.23 -19.8218 17.4956 177.474 -114.23 177.475 -584.49 GPRESSURE: 2404800 21.8818 -11.6783 -150.986 21.2736 78.21 149.449 -97.1116 149.872 -487.971 PRESSAVG: 2404800 4.37754 -33.9435 -4.1066 -33.9435 -25.5618 12.5265 -4.10657 12.5266 3.93116 GPRESSAVG: 2404800 3.11522 -30.981 -2.89565 -35.783 -24.934 10.6411 -5.42215 10.892 4.03724 TIMING: 2404800 CPU: 7675.12, 0.00319369/step Wall: 7675.12, 0.00319369/step, 2.30229 hours remaining, 233.050781 MB of memory in use. ENERGY: 2404800 4024.7967 20657.2376 14382.5974 256.4228 -202917.3139 2360.8518 0.0000 0.0000 51947.0127 -109288.3949 298.5402 -161235.4076 -108930.7500 299.4653 -160.5785 -129.2932 762205.9958 -5.7510 -5.9272 PRESSURE: 2405000 181.213 -297.767 -155.202 -297.767 170.811 -152.692 -155.201 -152.691 157.074 GPRESSURE: 2405000 187.446 -226.611 -96.7837 -314.162 193.229 -121.917 -358.375 -60.1575 200.848 PRESSAVG: 2405000 33.5726 -36.8292 0.821226 -36.8292 -48.6775 28.8142 0.821267 28.8142 9.92291 GPRESSAVG: 2405000 33.9196 -37.0526 -0.434078 -37.8414 -49.4119 31.0726 1.29662 29.0425 10.094 TIMING: 2405000 CPU: 7675.76, 0.00317653/step Wall: 7675.76, 0.00317653/step, 2.28975 hours remaining, 233.050781 MB of memory in use. ENERGY: 2405000 3876.9385 20531.7746 14500.8226 243.4376 -203154.1798 2522.0125 0.0000 0.0000 52037.8168 -109441.3772 299.0620 -161479.1940 -109090.5665 299.3284 169.6992 193.8408 762215.8722 -1.7273 -1.7994 PRESSURE: 2405200 248.67 175.994 34.5825 175.994 419.697 -168.991 34.5826 -168.99 -81.7605 GPRESSURE: 2405200 411.884 101.417 88.453 23.5733 269.324 -227.639 -64.0412 -45.6718 -33.156 PRESSAVG: 2405200 51.0833 -29.4904 -40.5707 -29.4905 -36.5876 -24.9933 -40.5706 -24.9934 -13.6557 GPRESSAVG: 2405200 51.5779 -28.484 -40.1417 -29.2243 -37.0561 -25.2154 -41.4149 -23.6362 -13.7801 TIMING: 2405200 CPU: 7676.39, 0.00317739/step Wall: 7676.39, 0.00317739/step, 2.2902 hours remaining, 233.050781 MB of memory in use. ENERGY: 2405200 3908.4280 20525.0724 14544.7342 265.9152 -203011.6754 2317.5255 0.0000 0.0000 51956.8103 -109493.1898 298.5965 -161450.0001 -109137.8651 299.6907 195.5355 216.0175 761137.2708 0.2800 0.2472 PRESSURE: 2405400 305.819 28.2909 130.286 28.2915 336.955 159.573 130.286 159.572 84.049 GPRESSURE: 2405400 372.191 90.2909 160.099 123.146 396.51 201.299 -35.669 114.392 46.9786 PRESSAVG: 2405400 50.7418 -1.46814 -53.2046 -1.46818 -44.2302 22.5848 -53.2047 22.5848 16.3357 GPRESSAVG: 2405400 49.8076 -1.92081 -52.9523 -0.444891 -42.9853 23.3558 -55.1058 22.6251 16.6317 TIMING: 2405400 CPU: 7677.03, 0.00319021/step Wall: 7677.03, 0.00319021/step, 2.29926 hours remaining, 233.050781 MB of memory in use. ENERGY: 2405400 3952.4994 20535.4299 14446.2909 253.2654 -203717.0437 2996.3449 0.0000 0.0000 52087.5779 -109445.6355 299.3480 -161533.2133 -109091.5654 299.4555 242.2745 271.8931 760572.8319 7.6158 7.8180 PRESSURE: 2405600 -137.549 -87.7427 144.446 -87.7437 -195.659 -46.9748 144.446 -46.9749 34.0075 GPRESSURE: 2405600 -149.269 70.1149 104.588 -26.2949 -148.126 -24.2066 153.443 -48.3801 99.2921 PRESSAVG: 2405600 64.3109 -22.4304 -14.7209 -22.4303 -36.7587 34.9751 -14.7209 34.975 7.29376 GPRESSAVG: 2405600 64.28 -23.2498 -15.7645 -20.4894 -37.4802 34.6674 -10.6045 34.8789 8.08319 TIMING: 2405600 CPU: 7677.67, 0.00318841/step Wall: 7677.67, 0.00318841/step, 2.29778 hours remaining, 233.050781 MB of memory in use. ENERGY: 2405600 4015.5965 20601.1078 14473.7477 236.6905 -203283.4205 2493.7960 0.0000 0.0000 52026.8572 -109435.6248 298.9991 -161462.4820 -109074.5898 299.7866 -99.7337 -66.0343 762074.3315 11.6153 11.6277 PRESSURE: 2405800 -21.9199 -20.0908 104.321 -20.0907 -59.9682 123.881 104.321 123.88 399.526 GPRESSURE: 2405800 -49.9506 -12.3905 56.6554 -35.6237 90.377 84.2662 18.1823 215.677 349.948 PRESSAVG: 2405800 24.2889 -11.3129 30.4166 -11.3129 -48.7839 8.52046 30.4166 8.52044 4.87008 GPRESSAVG: 2405800 23.9526 -11.5807 31.4241 -12.7971 -47.4536 9.1085 27.1256 8.02107 3.39084 TIMING: 2405800 CPU: 7678.3, 0.00316994/step Wall: 7678.3, 0.00316994/step, 2.28429 hours remaining, 233.050781 MB of memory in use. ENERGY: 2405800 3929.4016 20472.7112 14542.4380 250.5382 -203769.3016 2938.9175 0.0000 0.0000 52069.3409 -109565.9543 299.2432 -161635.2952 -109194.7726 299.3753 105.8793 130.1247 760532.4762 -6.5416 -6.7034 PRESSURE: 2406000 -40.8053 -111.542 220.338 -111.541 56.9349 -17.922 220.338 -17.9227 107.865 GPRESSURE: 2406000 62.3807 -164.21 154.526 18.467 54.7008 -64.6474 267.357 -38.9234 120.363 PRESSAVG: 2406000 39.094 -15.5708 1.91533 -15.5708 -13.7936 -4.9151 1.91528 -4.91514 -4.48435 GPRESSAVG: 2406000 39.8073 -14.236 1.88475 -16.1911 -14.6605 -6.94576 4.14775 -3.66391 -4.39303 TIMING: 2406000 CPU: 7678.94, 0.00319029/step Wall: 7678.94, 0.00319029/step, 2.29878 hours remaining, 233.050781 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: 2406000 3929.0849 20588.7521 14497.9559 244.7840 -203787.8194 2796.1746 0.0000 0.0000 51888.7614 -109842.3065 298.2054 -161731.0679 -109479.5589 299.3436 41.3316 79.1480 760711.4736 6.9387 6.9179 PRESSURE: 2406200 198.98 270.891 -121.948 270.89 453.451 261.504 -121.947 261.503 151.283 GPRESSURE: 2406200 347.255 243.883 -120.141 212.057 420.028 276.456 -104.886 322.435 141.783 PRESSAVG: 2406200 33.2675 -26.121 -20.7142 -26.121 -58.2984 58.5482 -20.7141 58.5482 24.4749 GPRESSAVG: 2406200 33.4615 -26.1349 -21.4159 -25.3018 -58.4513 59.2143 -20.2979 56.5182 24.4297 TIMING: 2406200 CPU: 7679.58, 0.00318849/step Wall: 7679.58, 0.00318849/step, 2.29731 hours remaining, 233.050781 MB of memory in use. ENERGY: 2406200 3970.5774 20450.6243 14469.7403 241.5577 -203758.8339 2792.5019 0.0000 0.0000 52111.6852 -109722.1470 299.4866 -161833.8322 -109358.2538 298.6096 267.9045 303.0222 760710.6397 -0.1853 -0.1867 PRESSURE: 2406400 -376.635 -2.36835 -85.7225 -2.36855 -231.363 -256.024 -85.7213 -256.024 -434.848 GPRESSURE: 2406400 -408.367 127.959 -176.182 -7.87711 -107.897 -234.107 -96.7066 -226.016 -427.458 PRESSAVG: 2406400 46.4718 20.2529 -55.2777 20.2529 -12.7566 41.5096 -55.2777 41.5096 -21.6234 GPRESSAVG: 2406400 45.7374 18.1505 -56.2136 19.8399 -11.1507 41.1676 -56.8618 43.9095 -22.117 TIMING: 2406400 CPU: 7680.21, 0.00317575/step Wall: 7680.21, 0.00317575/step, 2.28795 hours remaining, 233.050781 MB of memory in use. ENERGY: 2406400 4065.3916 20477.8878 14503.3769 242.1593 -203222.2545 2363.7569 0.0000 0.0000 52143.5602 -109426.1219 299.6698 -161569.6821 -109064.8278 299.4444 -347.6154 -314.5741 761812.3290 4.0306 4.1566 PRESSURE: 2406600 139.949 25.7727 -60.8691 25.7728 -16.2431 142.838 -60.8695 142.837 8.20377 GPRESSURE: 2406600 148.794 -6.72526 -75.7489 103.579 133.65 158.898 89.1212 13.3279 -71.855 PRESSAVG: 2406600 54.2852 -35.4636 10.912 -35.4635 -20.2074 9.38804 10.912 9.38797 5.87896 GPRESSAVG: 2406600 55.3814 -34.533 12.5785 -34.2227 -21.4712 10.6757 12.5134 5.98135 6.11855 TIMING: 2406600 CPU: 7680.85, 0.00319092/step Wall: 7680.85, 0.00319092/step, 2.29871 hours remaining, 233.050781 MB of memory in use. ENERGY: 2406600 4023.4104 20395.4676 14463.1887 260.8888 -203780.4859 2838.2588 0.0000 0.0000 52239.6371 -109559.6344 300.2219 -161799.2715 -109199.6109 299.5610 43.9699 70.1964 760991.4515 13.3189 13.3429 PRESSURE: 2406800 -133.659 -85.3431 121.471 -85.3433 -147.74 47.4959 121.471 47.4963 -305.927 GPRESSURE: 2406800 -94.5071 5.46882 102.223 -70.725 -174.187 -19.2744 192.048 -102.756 -256.065 PRESSAVG: 2406800 51.6598 -37.3525 -21.4228 -37.3525 -7.52988 6.93033 -21.4228 6.93043 1.9252 GPRESSAVG: 2406800 50.4208 -38.5059 -21.2127 -39.9195 -7.08981 6.25289 -20.5637 6.68903 2.16996 TIMING: 2406800 CPU: 7681.49, 0.00317256/step Wall: 7681.49, 0.00317256/step, 2.2853 hours remaining, 233.050781 MB of memory in use. ENERGY: 2406800 4073.8649 20490.4167 14524.6455 232.2681 -203556.8490 2452.4263 0.0000 0.0000 51893.6596 -109889.5677 298.2336 -161783.2274 -109527.0474 299.2509 -195.7755 -174.9199 760885.1622 15.3517 15.1670 PRESSURE: 2407000 73.4461 -265.102 38.1053 -265.102 -202.918 63.6537 38.1051 63.6534 73.7288 GPRESSURE: 2407000 65.605 -203.059 23.0686 -138.514 -92.4227 147.1 45.4122 64.0708 40.2436 PRESSAVG: 2407000 4.49111 -74.3407 -24.9567 -74.3408 5.76349 -16.0778 -24.9567 -16.0778 -34.4483 GPRESSAVG: 2407000 5.03269 -73.2464 -25.6352 -71.8674 5.14585 -16.8765 -27.7847 -12.8434 -34.8687 TIMING: 2407000 CPU: 7682.12, 0.00317929/step Wall: 7682.12, 0.00317929/step, 2.28998 hours remaining, 233.050781 MB of memory in use. ENERGY: 2407000 3960.1485 20424.2144 14415.3057 232.1359 -203483.0688 2465.6320 0.0000 0.0000 52017.2497 -109968.3827 298.9438 -161985.6324 -109601.9070 298.4428 -18.5811 4.4753 760851.6293 -8.0646 -8.2300 PRESSURE: 2407200 -321.029 -86.0161 -137.376 -86.0157 -212.236 253.876 -137.377 253.876 141.894 GPRESSURE: 2407200 -308.719 -143.802 -99.8893 -108.915 -135.738 228.173 -159.387 117.669 118.502 PRESSAVG: 2407200 35.6872 -55.7606 35.0681 -55.7605 -37.6619 4.53105 35.068 4.53108 4.53097 GPRESSAVG: 2407200 35.0708 -56.6435 35.0682 -56.9762 -37.5221 4.90085 35.8413 3.84922 5.46985 TIMING: 2407200 CPU: 7682.77, 0.00321353/step Wall: 7682.77, 0.00321353/step, 2.31445 hours remaining, 233.050781 MB of memory in use. ENERGY: 2407200 3945.9240 20517.3836 14367.6956 243.2395 -203525.3925 2586.0033 0.0000 0.0000 51973.6599 -109891.4864 298.6933 -161865.1463 -109536.8754 298.6326 -130.4568 -108.6518 760538.9246 0.8521 1.0062 PRESSURE: 2407400 61.4692 43.9866 -5.94267 43.9855 64.2947 164.378 -5.94257 164.378 -106.271 GPRESSURE: 2407400 107.764 -70.6524 -87.3673 42.938 69.6186 128.444 104.115 166.955 -64.9185 PRESSAVG: 2407400 31.5239 -42.524 -12.1913 -42.5241 2.21987 57.2243 -12.1913 57.2243 3.61288 GPRESSAVG: 2407400 31.5812 -41.5308 -14.2753 -43.1482 1.61726 57.3092 -9.32556 57.6199 4.52621 TIMING: 2407400 CPU: 7683.4, 0.00318082/step Wall: 7683.4, 0.00318082/step, 2.29072 hours remaining, 233.050781 MB of memory in use. ENERGY: 2407400 3939.6411 20394.8361 14486.6432 264.1799 -203877.9875 2764.6918 0.0000 0.0000 52068.5905 -109959.4048 299.2389 -162027.9953 -109596.9395 298.1842 6.4975 37.4880 760877.2857 12.4522 12.5749 PRESSURE: 2407600 151.166 81.4952 79.5404 81.495 329.989 -70.7769 79.5409 -70.7768 17.46 GPRESSURE: 2407600 204.316 -80.8724 1.47456 41.8736 266.018 -0.947349 205.329 -109.43 116.463 PRESSAVG: 2407600 -16.1537 -19.1908 9.74752 -19.1907 -2.56774 53.9565 9.74758 53.9565 10.7092 GPRESSAVG: 2407600 -16.04 -19.1785 10.9363 -18.5209 -1.13433 53.4091 8.66841 54.4496 8.7221 TIMING: 2407600 CPU: 7684.04, 0.00317839/step Wall: 7684.04, 0.00317839/step, 2.28879 hours remaining, 233.050781 MB of memory in use. ENERGY: 2407600 4040.7109 20519.0875 14500.0993 253.7002 -203645.1868 2653.5953 0.0000 0.0000 51833.7547 -109844.2389 297.8893 -161677.9937 -109491.2520 298.5379 166.2050 195.5991 761577.9447 -2.6708 -2.8174 PRESSURE: 2407800 65.197 -124.23 90.0701 -124.23 -249.406 65.3363 90.0705 65.3359 -74.6722 GPRESSURE: 2407800 74.1631 -145.153 62.0226 -230.781 -208.313 82.1496 125.611 -188.637 -43.3454 PRESSAVG: 2407800 -39.0864 -22.9395 -32.0511 -22.9395 22.8326 31.3366 -32.0511 31.3367 6.74987 GPRESSAVG: 2407800 -38.2108 -21.8263 -32.4934 -22.7305 20.6812 31.4417 -31.4232 30.0284 7.79979 TIMING: 2407800 CPU: 7684.67, 0.00316631/step Wall: 7684.67, 0.00316631/step, 2.27992 hours remaining, 233.050781 MB of memory in use. ENERGY: 2407800 4055.9647 20508.1058 14471.2286 231.2768 -203734.2623 2588.7957 0.0000 0.0000 52034.3517 -109844.5388 299.0421 -161878.8905 -109480.1629 298.9721 -86.2936 -59.1649 761021.5938 -3.1680 -3.2433 PRESSURE: 2408000 66.2387 105.664 56.946 105.665 140.753 -88.8496 56.9457 -88.8486 493.304 GPRESSURE: 2408000 110.989 187.327 64.231 87.6117 154.473 -66.6614 104.804 -21.3638 531.081 PRESSAVG: 2408000 -17.2339 -12.4325 -39.5025 -12.4326 65.9211 1.57333 -39.5026 1.57337 -12.7304 GPRESSAVG: 2408000 -17.7863 -11.1795 -39.1737 -14.603 67.843 2.76238 -41.6023 0.241289 -13.3739 TIMING: 2408000 CPU: 7685.31, 0.003207/step Wall: 7685.31, 0.003207/step, 2.30904 hours remaining, 233.050781 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: 2408000 3929.1979 20391.2979 14537.3110 234.9642 -203704.3081 2674.8542 0.0000 0.0000 51864.1858 -110072.4972 298.0642 -161936.6830 -109716.8159 298.2248 233.4320 265.5147 761396.4364 11.9856 12.2276 PRESSURE: 2408200 28.8495 -82.5138 -184.416 -82.5139 -45.3839 -236.982 -184.416 -236.982 -157.94 GPRESSURE: 2408200 206.092 -3.02567 -191.965 -73.0825 -54.3499 -327.817 -182.803 -106.316 -203.785 PRESSAVG: 2408200 -17.464 -7.09067 -20.8815 -7.09064 37.126 12.9694 -20.8814 12.9695 17.7769 GPRESSAVG: 2408200 -18.2261 -9.43918 -21.623 -3.73831 38.0731 10.3498 -19.9437 17.6465 17.8744 TIMING: 2408200 CPU: 7685.95, 0.00317987/step Wall: 7685.95, 0.00317987/step, 2.28933 hours remaining, 233.050781 MB of memory in use. ENERGY: 2408200 4005.1154 20363.0135 14566.4809 253.8554 -203820.3384 2864.5243 0.0000 0.0000 51543.5259 -110223.8229 296.2214 -161767.3488 -109868.4508 297.7696 -58.1583 -17.3478 761025.3805 12.4796 12.5738 LDB: ============= START OF LOAD BALANCING ============== 7698.37 LDB: ============== END OF LOAD BALANCING =============== 7698.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7698.37 LDB: ============= START OF LOAD BALANCING ============== 7698.7 LDB: Largest compute 7025 load 0.037227 is 19.0% of average load 0.195453 LDB: Average compute 0.004419 is 2.3% of average load 0.195453 LDB: TIME 7698.7 LOAD: AVG 0.195453 MAX 0.216118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 7698.7 LOAD: AVG 0.195453 MAX 0.216118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: TIME 7698.7 LOAD: AVG 0.195453 MAX 0.216118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: ============== END OF LOAD BALANCING =============== 7698.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7698.71 PRESSURE: 2408400 -81.4932 -39.6119 -54.3216 -39.6116 15.2915 -329.537 -54.3222 -329.539 -74.4441 GPRESSURE: 2408400 37.7966 -44.8705 -127.363 -1.84229 -13.3593 -270.001 -95.3046 -284.354 -77.211 PRESSAVG: 2408400 36.0953 -2.35677 -8.3011 -2.35681 -32.6255 -10.1839 -8.30109 -10.1839 2.27046 GPRESSAVG: 2408400 36.7019 -4.22507 -7.67109 -2.17026 -33.2778 -8.35063 -9.21247 -13.0335 2.43429 TIMING: 2408400 CPU: 7686.6, 0.00326955/step Wall: 7686.6, 0.00326955/step, 2.35371 hours remaining, 234.074219 MB of memory in use. ENERGY: 2408400 3983.0371 20490.8558 14431.4690 241.9571 -203180.9035 2155.8438 0.0000 0.0000 51715.4404 -110162.3003 297.2093 -161877.7407 -109807.8299 297.4920 -46.8819 -17.5912 760499.9656 1.9134 1.9528 PRESSURE: 2408600 -259.578 8.47474 53.3184 8.47471 30.0904 -100.272 53.318 -100.273 -191.542 GPRESSURE: 2408600 -199.34 54.1195 1.37267 111.602 -8.57223 -172.218 167.493 -73.2308 -145.253 PRESSAVG: 2408600 -33.605 -25.5076 30.9301 -25.5076 -11.5901 36.4246 30.9301 36.4245 4.83804 GPRESSAVG: 2408600 -33.7198 -25.2354 31.2933 -25.3157 -11.0702 36.5899 29.0714 34.003 4.05797 TIMING: 2408600 CPU: 7687.25, 0.0032184/step Wall: 7687.25, 0.0032184/step, 2.31671 hours remaining, 234.273438 MB of memory in use. ENERGY: 2408600 3912.9395 20642.0614 14478.3146 238.7525 -203656.5068 2458.9671 0.0000 0.0000 52027.5263 -109897.9455 299.0029 -161925.4717 -109537.1322 297.8441 -140.3432 -117.7215 763011.5707 -13.4524 -13.5773 PRESSURE: 2408800 -79.9328 -31.8435 68.3538 -31.8439 32.1251 -8.64879 68.3543 -8.64785 51.6864 GPRESSURE: 2408800 -72.666 -62.0301 -26.6203 -7.21733 55.1338 44.8925 20.2518 32.3218 120.287 PRESSAVG: 2408800 20.0832 -21.3582 -28.2541 -21.3582 -20.6267 -19.3397 -28.254 -19.3397 -0.317915 GPRESSAVG: 2408800 20.3365 -21.6002 -28.207 -21.3487 -20.2738 -19.9192 -25.9533 -16.4745 -0.485714 TIMING: 2408800 CPU: 7687.89, 0.00319902/step Wall: 7687.89, 0.00319902/step, 2.30258 hours remaining, 234.273438 MB of memory in use. ENERGY: 2408800 3971.0291 20127.5332 14474.7934 249.3358 -203407.3423 2582.7461 0.0000 0.0000 52124.0558 -109877.8489 299.5577 -162001.9047 -109504.6271 298.6234 1.2929 34.2517 760165.4222 -0.2871 -0.1410 PRESSURE: 2409000 38.6252 -20.2399 152.474 -20.24 237.086 -72.5585 152.473 -72.5573 -77.8242 GPRESSURE: 2409000 119.67 3.76061 38.1175 -0.367534 204.902 -107.974 217.064 11.0032 -31.9042 PRESSAVG: 2409000 -3.71698 -35.3172 -15.8263 -35.3172 -19.2023 43.5914 -15.8263 43.5913 -32.3713 GPRESSAVG: 2409000 -3.78957 -34.5986 -17.41 -38.2154 -20.1151 42.926 -15.2365 44.2702 -30.4879 TIMING: 2409000 CPU: 7688.52, 0.00317829/step Wall: 7688.52, 0.00317829/step, 2.28749 hours remaining, 234.273438 MB of memory in use. ENERGY: 2409000 3918.8309 20496.8456 14515.1538 246.0338 -203559.0605 2540.0227 0.0000 0.0000 51791.3109 -110050.8628 297.6454 -161842.1737 -109689.4144 297.9667 65.9623 97.5557 760245.0355 -18.4302 -18.1309 PRESSURE: 2409200 290.738 140.519 118.327 140.519 16.4049 204.101 118.328 204.102 -134.961 GPRESSURE: 2409200 218.906 46.8827 -2.34259 265.322 112.566 241.15 21.8461 213.906 -75.8242 PRESSAVG: 2409200 -9.70165 18.2014 41.8858 18.2015 8.57074 23.6809 41.8859 23.6809 -11.7785 GPRESSAVG: 2409200 -10.3579 17.3799 42.534 22.2852 9.51543 24.6797 42.1986 21.3635 -12.4193 TIMING: 2409200 CPU: 7689.16, 0.00318401/step Wall: 7689.16, 0.00318401/step, 2.29143 hours remaining, 234.273438 MB of memory in use. ENERGY: 2409200 3955.2551 20387.7644 14414.0715 262.4672 -203457.1951 2574.4053 0.0000 0.0000 51867.7931 -109995.4386 298.0849 -161863.2317 -109632.2044 298.4173 57.3941 85.2159 760917.8322 -4.3031 -4.4206 PRESSURE: 2409400 6.69291 109.988 108.403 109.988 285.872 -66.2601 108.403 -66.2607 88.2319 GPRESSURE: 2409400 112.033 86.8314 135.643 38.5647 271.905 -51.1412 -71.0255 -31.4851 55.2591 PRESSAVG: 2409400 3.72823 14.2292 18.3172 14.2291 30.0174 37.3497 18.3172 37.3497 7.10903 GPRESSAVG: 2409400 2.71148 14.6931 20.6234 12.8003 30.6918 36.6359 14.903 37.0853 7.4474 TIMING: 2409400 CPU: 7689.8, 0.00320762/step Wall: 7689.8, 0.00320762/step, 2.30824 hours remaining, 234.273438 MB of memory in use. ENERGY: 2409400 3944.5352 20385.9493 14524.7475 230.3911 -203779.0546 2771.3451 0.0000 0.0000 51975.2760 -109946.8103 298.7026 -161922.0863 -109585.5339 297.9575 126.9323 146.3988 760073.6587 13.6182 13.6169 PRESSURE: 2409600 -450.631 57.3746 100.133 57.3752 -30.9962 -165.07 100.134 -165.07 -291.93 GPRESSURE: 2409600 -383.652 87.6469 130.473 21.8418 -41.2198 -161.81 115.934 -146.996 -275.508 PRESSAVG: 2409600 -6.06991 12.4625 -50.76 12.4624 -22.5973 38.0066 -50.7601 38.0066 -12.0169 GPRESSAVG: 2409600 -5.20272 12.0591 -51.1778 11.24 -22.6303 39.7534 -48.3605 39.1899 -12.0445 TIMING: 2409600 CPU: 7690.44, 0.0031915/step Wall: 7690.44, 0.0031915/step, 2.29646 hours remaining, 234.273438 MB of memory in use. ENERGY: 2409600 3984.7123 20533.9716 14385.1398 261.7138 -203135.0533 2353.1181 0.0000 0.0000 51949.5534 -109666.8443 298.5548 -161616.3977 -109308.0456 298.6133 -257.8524 -233.4599 760971.4456 -13.5614 -13.2925 PRESSURE: 2409800 148.138 -158.579 75.5936 -158.579 33.8328 113.53 75.593 113.53 122.703 GPRESSURE: 2409800 147.419 -167.177 98.9794 -11.0024 137.806 174.297 56.5239 80.7277 120.817 PRESSAVG: 2409800 32.3148 -18.6724 2.44893 -18.6724 -29.5587 1.85317 2.44899 1.85313 -10.4179 GPRESSAVG: 2409800 31.7442 -18.0424 2.21264 -16.5486 -28.6321 -1.37165 2.25632 3.07492 -10.906 TIMING: 2409800 CPU: 7691.07, 0.00318125/step Wall: 7691.07, 0.00318125/step, 2.28891 hours remaining, 234.273438 MB of memory in use. ENERGY: 2409800 3966.4300 20491.8865 14374.4845 235.2511 -202792.3385 2236.6331 0.0000 0.0000 51857.9089 -109629.7444 298.0281 -161487.6532 -109256.1012 298.8698 101.5579 135.3476 761387.9557 -2.5539 -2.5980 PRESSURE: 2410000 -61.8363 -37.3673 204.898 -37.3675 46.2599 67.7448 204.898 67.7455 39.8488 GPRESSURE: 2410000 -50.0628 -7.63967 253.916 -124.606 115.126 102.972 90.2426 -26.8417 23.0315 PRESSAVG: 2410000 10.3138 -5.52329 11.9513 -5.52336 -18.6922 -20.9745 11.9513 -20.9744 -13.6103 GPRESSAVG: 2410000 9.24195 -7.42256 11.536 -5.15549 -17.7946 -18.9633 12.0911 -21.6423 -13.4783 TIMING: 2410000 CPU: 7691.71, 0.00317655/step Wall: 7691.71, 0.00317655/step, 2.28535 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2410000 3971.9976 20436.6164 14467.4705 245.2339 -203263.8877 2458.3221 0.0000 0.0000 52011.8030 -109672.4441 298.9125 -161684.2471 -109310.8159 298.8684 8.0908 29.3650 760030.8910 -7.3295 -7.3437 PRESSURE: 2410200 87.9412 -18.5928 39.7737 -18.5927 -40.1053 -1.07699 39.7746 -1.07665 -10.052 GPRESSURE: 2410200 190.021 91.9721 81.1825 -115.542 -96.2159 -17.615 124.787 -40.038 28.8359 PRESSAVG: 2410200 17.4888 -51.2487 -0.494363 -51.2487 -44.2999 54.2897 -0.494403 54.2897 0.213458 GPRESSAVG: 2410200 18.5903 -48.9335 -0.954404 -54.254 -45.7228 54.3477 -0.607271 53.0955 -0.0594417 TIMING: 2410200 CPU: 7692.35, 0.00318187/step Wall: 7692.35, 0.00318187/step, 2.289 hours remaining, 234.273438 MB of memory in use. ENERGY: 2410200 4021.9545 20450.8816 14491.7832 235.0439 -203288.8287 2290.9477 0.0000 0.0000 52063.3188 -109734.8991 299.2086 -161798.2178 -109380.2665 299.3388 12.5946 40.8803 759508.5493 -8.8659 -9.0640 PRESSURE: 2410400 117.475 -70.5541 311.491 -70.5542 -2.80647 211.812 311.49 211.813 23.4974 GPRESSURE: 2410400 149.322 -62.6334 238.13 -31.8974 40.666 336.806 225.505 97.9991 29.6406 PRESSAVG: 2410400 51.7423 -77.2797 65.8532 -77.2798 8.42758 14.7172 65.8532 14.7173 8.55407 GPRESSAVG: 2410400 52.0274 -78.7511 65.4078 -75.8138 8.03898 13.6304 66.1353 15.9725 9.10232 TIMING: 2410400 CPU: 7692.99, 0.00320619/step Wall: 7692.99, 0.00320619/step, 2.30632 hours remaining, 234.273438 MB of memory in use. ENERGY: 2410400 3915.5459 20396.4431 14450.8714 241.5219 -202915.1783 2233.5229 0.0000 0.0000 52184.7985 -109492.4744 299.9068 -161677.2730 -109125.8477 299.4040 46.0553 73.2095 758519.9209 22.9080 23.0562 PRESSURE: 2410600 -241.429 -35.243 37.8592 -35.243 57.6961 82.4367 37.859 82.4359 -110.745 GPRESSURE: 2410600 -160.713 -65.6183 102.005 -10.4382 71.1569 2.72256 -5.99751 182.439 -107.652 PRESSAVG: 2410600 19.6277 -87.5161 47.5154 -87.5161 -15.2833 22.1525 47.5154 22.1525 -25.0723 GPRESSAVG: 2410600 19.5347 -87.6763 47.9115 -85.9311 -16.1546 22.1263 47.6263 21.6061 -24.1506 TIMING: 2410600 CPU: 7693.62, 0.00318451/step Wall: 7693.62, 0.00318451/step, 2.29055 hours remaining, 234.273438 MB of memory in use. ENERGY: 2410600 4003.9587 20410.2673 14375.6986 259.1678 -203048.8594 2094.8172 0.0000 0.0000 52383.4384 -109521.5114 301.0483 -161904.9497 -109154.1913 299.0951 -98.1593 -65.7362 759782.8094 -6.9093 -6.9235 PRESSURE: 2410800 307.522 -70.5492 -23.4152 -70.5501 -133.174 -103.436 -23.4152 -103.436 -23.4739 GPRESSURE: 2410800 378.023 -56.3921 16.1796 -269.194 -152.355 -28.2332 -26.9142 53.3584 14.8119 PRESSAVG: 2410800 29.7449 -83.0446 7.33338 -83.0446 -34.0168 29.1368 7.33331 29.1367 -10.1259 GPRESSAVG: 2410800 29.7524 -83.8583 6.86823 -85.0583 -32.5724 31.2589 6.23584 29.1789 -11.4098 TIMING: 2410800 CPU: 7694.26, 0.00318213/step Wall: 7694.26, 0.00318213/step, 2.28866 hours remaining, 234.273438 MB of memory in use. ENERGY: 2410800 4013.6145 20561.0322 14440.6205 238.5221 -203275.4949 2567.7052 0.0000 0.0000 51734.1507 -109719.8497 297.3169 -161454.0004 -109360.8630 299.0704 50.2915 80.1601 760869.8258 -4.7992 -4.7433 PRESSURE: 2411000 226.006 -43.9392 -92.3504 -43.9401 -99.2939 4.35123 -92.35 4.35246 -234.438 GPRESSURE: 2411000 341.319 -18.3019 -148.933 -11.3204 -121.903 -58.8562 -277.976 150.576 -238.627 PRESSAVG: 2411000 93.4232 -74.2864 -54.8117 -74.2865 -72.3921 -10.4514 -54.8117 -10.4514 3.55086 GPRESSAVG: 2411000 93.7365 -72.5097 -53.6021 -74.5433 -73.4171 -13.8714 -55.0223 -10.1923 4.51439 TIMING: 2411000 CPU: 7694.9, 0.00320409/step Wall: 7694.9, 0.00320409/step, 2.30427 hours remaining, 234.273438 MB of memory in use. ENERGY: 2411000 3940.2361 20441.2957 14490.2544 230.3438 -203573.8468 2561.3820 0.0000 0.0000 52127.9499 -109782.3850 299.5800 -161910.3348 -109424.8543 298.9543 -35.9085 -6.4036 759567.5227 8.1940 8.2779 PRESSURE: 2411200 -64.0592 -85.7747 205.63 -85.7749 95.0457 -125.418 205.629 -125.419 -118.46 GPRESSURE: 2411200 23.7521 -7.8675 256.394 -102.7 134.502 -156.866 304.89 62.347 -138.337 PRESSAVG: 2411200 5.96114 -73.5986 27.1905 -73.5986 8.02065 -0.552146 27.1905 -0.552165 10.8676 GPRESSAVG: 2411200 6.64624 -74.4653 25.0887 -73.1336 8.2291 1.40441 29.069 -0.640474 10.3141 TIMING: 2411200 CPU: 7695.54, 0.0031964/step Wall: 7695.54, 0.0031964/step, 2.29857 hours remaining, 234.273438 MB of memory in use. ENERGY: 2411200 4071.0543 20342.3759 14503.9762 236.5249 -203286.2650 2495.1808 0.0000 0.0000 51959.1424 -109678.0105 298.6099 -161637.1530 -109322.8354 298.9944 -29.1580 6.6389 760900.5201 8.2831 8.3965 PRESSURE: 2411400 11.3472 -37.26 -121.53 -37.26 -434.045 355.673 -121.531 355.673 128.76 GPRESSURE: 2411400 59.6612 -96.5315 -127.652 82.7183 -343.269 361.375 -55.4398 257.981 85.2302 PRESSAVG: 2411400 38.9705 -47.0874 22.1674 -47.0875 -11.4003 -6.59356 22.1674 -6.59356 2.16064 GPRESSAVG: 2411400 36.0471 -47.4081 21.6193 -46.5637 -9.04513 -5.0652 22.1795 -5.46942 2.81858 TIMING: 2411400 CPU: 7696.18, 0.00319084/step Wall: 7696.18, 0.00319084/step, 2.29439 hours remaining, 234.273438 MB of memory in use. ENERGY: 2411400 3980.7250 20454.2703 14381.4995 245.5547 -203650.9262 2848.2871 0.0000 0.0000 51991.9274 -109748.6622 298.7983 -161740.5896 -109384.8381 298.8351 -97.9791 -66.1260 760686.1334 9.9103 9.9402 PRESSURE: 2411600 -154.127 -237.189 22.3182 -237.189 90.9295 281.416 22.3187 281.415 459.703 GPRESSURE: 2411600 -80.065 -240.712 49.4679 -353.208 77.1161 290.907 46.7912 136.207 478.079 PRESSAVG: 2411600 73.5236 -51.0105 20.916 -51.0105 -56.6484 20.3591 20.9161 20.3591 0.902491 GPRESSAVG: 2411600 76.1957 -49.1871 22.3823 -52.5139 -57.6227 19.8925 20.7483 17.4878 -0.586757 TIMING: 2411600 CPU: 7696.82, 0.00318328/step Wall: 7696.82, 0.00318328/step, 2.28878 hours remaining, 234.273438 MB of memory in use. ENERGY: 2411600 3989.4386 20430.1213 14505.0328 265.0723 -203372.3515 2618.9555 0.0000 0.0000 51702.7373 -109860.9938 297.1363 -161563.7310 -109513.4729 298.4783 132.1685 158.3769 761315.6579 5.9259 5.9954 PRESSURE: 2411800 -185.486 22.255 140.063 22.2551 -328.961 10.0281 140.063 10.027 -546.542 GPRESSURE: 2411800 -180.352 116.674 194.228 21.8013 -271.579 64.1174 63.7969 -177.338 -536.514 PRESSAVG: 2411800 25.5108 -52.0422 8.25193 -52.0422 -53.9217 -17.8545 8.25187 -17.8545 15.5943 GPRESSAVG: 2411800 24.2882 -52.8294 10.0311 -51.7014 -53.9547 -18.3708 5.96767 -16.1431 16.4903 TIMING: 2411800 CPU: 7697.45, 0.00317039/step Wall: 7697.45, 0.00317039/step, 2.27934 hours remaining, 234.273438 MB of memory in use. ENERGY: 2411800 3916.2137 20430.6523 14418.8535 248.6766 -203252.7795 2235.5823 0.0000 0.0000 52083.7841 -109919.0169 299.3262 -162002.8010 -109564.7271 298.0435 -353.6627 -329.4814 761821.2786 -4.2722 -4.3921 PRESSURE: 2412000 -181.146 -144.493 -79.1463 -144.493 104.385 -20.0221 -79.1462 -20.0232 -272.401 GPRESSURE: 2412000 -123.584 -258.059 -73.4484 -47.0994 148.289 10.5946 -62.5069 -51.2063 -288.324 PRESSAVG: 2412000 44.4758 -22.6216 -46.8765 -22.6216 -42.2147 -18.1542 -46.8765 -18.1543 9.75045 GPRESSAVG: 2412000 44.5139 -23.625 -48.9494 -21.4409 -42.5218 -18.1811 -44.651 -19.0733 9.4604 TIMING: 2412000 CPU: 7698.09, 0.00317768/step Wall: 7698.09, 0.00317768/step, 2.2844 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 4068.8311 20454.3052 14455.6689 233.3302 -203591.8365 2672.0981 0.0000 0.0000 52009.5671 -109698.0358 298.8997 -161707.6029 -109328.4276 298.7824 -116.3875 -87.8729 761042.7547 4.0039 3.8175 PRESSURE: 2412200 43.3593 -118.979 74.1268 -118.979 90.1789 -116.71 74.1269 -116.709 -77.1722 GPRESSURE: 2412200 52.6058 26.881 170.426 -177.785 115.327 -72.1356 120.417 -68.2906 -31.758 PRESSAVG: 2412200 29.8619 -44.1047 38.441 -44.1047 -65.8411 -11.4492 38.441 -11.4492 -9.49669 GPRESSAVG: 2412200 29.7414 -41.976 38.0162 -43.7019 -67.0338 -9.97733 37.8641 -10.9021 -8.48457 TIMING: 2412200 CPU: 7698.73, 0.0032004/step Wall: 7698.73, 0.0032004/step, 2.30055 hours remaining, 234.273438 MB of memory in use. ENERGY: 2412200 3907.4846 20682.3232 14457.4215 252.0179 -203308.4496 2543.4348 0.0000 0.0000 51925.9148 -109539.8528 298.4189 -161465.7676 -109190.1167 299.0384 18.7887 45.3916 760986.8912 -15.1586 -15.2590 LDB: ============= START OF LOAD BALANCING ============== 7711.15 LDB: ============== END OF LOAD BALANCING =============== 7711.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7711.16 LDB: ============= START OF LOAD BALANCING ============== 7711.48 LDB: Largest compute 7033 load 0.037384 is 19.1% of average load 0.195513 LDB: Average compute 0.004377 is 2.2% of average load 0.195513 LDB: TIME 7711.48 LOAD: AVG 0.195513 MAX 0.212908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.82 MB LDB: TIME 7711.48 LOAD: AVG 0.195513 MAX 0.212908 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.918 MB LDB: TIME 7711.48 LOAD: AVG 0.195513 MAX 0.212908 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.918 MB LDB: ============== END OF LOAD BALANCING =============== 7711.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7711.49 PRESSURE: 2412400 -141.723 -117.444 -114.007 -117.443 -91.9555 -71.4128 -114.007 -71.4132 31.0262 GPRESSURE: 2412400 -194.007 -150.73 -100.388 -114.85 72.2821 -73.6019 -159.831 -169.309 5.0103 PRESSAVG: 2412400 60.0713 -9.6459 -1.38061 -9.64589 -79.9786 4.41991 -1.38052 4.41992 -13.3659 GPRESSAVG: 2412400 61.8652 -11.6253 0.12972 -11.1575 -79.5345 2.26313 -2.57129 5.33375 -15.3515 TIMING: 2412400 CPU: 7699.38, 0.00328992/step Wall: 7699.38, 0.00328992/step, 2.36472 hours remaining, 233.304688 MB of memory in use. ENERGY: 2412400 3981.5637 20354.5026 14448.0277 253.7529 -202493.0146 2115.1184 0.0000 0.0000 51960.6282 -109379.4212 298.6184 -161340.0494 -109025.9582 299.3281 -67.5508 -38.9047 762413.0538 -11.0911 -11.0069 PRESSURE: 2412600 -161.964 43.5965 33.5918 43.5969 -157.104 122.263 33.5918 122.262 124.077 GPRESSURE: 2412600 -149.926 131.203 22.6825 -21.1851 -124.775 171.17 34.5881 93.2474 168.548 PRESSAVG: 2412600 -1.4555 22.0918 -4.30758 22.0918 7.05227 -28.867 -4.30755 -28.867 -1.81896 GPRESSAVG: 2412600 -1.83048 21.8387 -4.86345 22.9666 6.68917 -26.791 -2.26876 -29.5438 -0.899303 TIMING: 2412600 CPU: 7700.02, 0.00319021/step Wall: 7700.02, 0.00319021/step, 2.29288 hours remaining, 233.304688 MB of memory in use. ENERGY: 2412600 4003.8479 20430.4299 14528.0005 239.0044 -203204.0506 2474.0689 0.0000 0.0000 52007.9509 -109520.7480 298.8904 -161528.6989 -109158.6730 299.7886 -64.9969 -35.3845 760283.8783 1.2593 1.3198 PRESSURE: 2412800 -15.9013 -103.006 99.4731 -103.006 309.178 157.417 99.473 157.417 -264.94 GPRESSURE: 2412800 12.7302 -27.0646 80.7374 -201.411 338.523 195.174 168.203 36.8132 -229 PRESSAVG: 2412800 23.7969 -54.4821 32.0026 -54.4822 -25.4219 -15.9894 32.0025 -15.9894 -9.74387 GPRESSAVG: 2412800 23.1782 -52.2983 32.1446 -56.6843 -25.6793 -18.7196 31.0497 -15.0993 -9.31048 TIMING: 2412800 CPU: 7700.66, 0.0031839/step Wall: 7700.66, 0.0031839/step, 2.28816 hours remaining, 233.304688 MB of memory in use. ENERGY: 2412800 3948.6451 20480.7502 14480.0303 249.7817 -203726.6505 2866.4260 0.0000 0.0000 52456.8553 -109244.1617 301.4703 -161701.0171 -108878.8723 299.9463 9.4455 40.7511 761108.2511 -3.7896 -3.9372 PRESSURE: 2413000 286.112 -13.5602 78.1104 -13.5595 -346.044 -91.1811 78.1108 -91.181 -35.863 GPRESSURE: 2413000 269.323 -41.1282 62.9089 61.83 -277.911 -136.545 141.053 -50.2313 -7.83034 PRESSAVG: 2413000 -4.00898 -56.072 10.4155 -56.072 -13.7371 -15.3426 10.4154 -15.3427 -12.5083 GPRESSAVG: 2413000 -4.84422 -54.9916 10.0723 -55.3994 -12.9249 -14.3438 11.0533 -14.6906 -11.9637 TIMING: 2413000 CPU: 7701.31, 0.00323488/step Wall: 7701.31, 0.00323488/step, 2.32462 hours remaining, 233.304688 MB of memory in use. ENERGY: 2413000 3982.8394 20529.2202 14538.6628 242.3190 -203152.8007 2453.4498 0.0000 0.0000 52312.4655 -109093.8440 300.6405 -161406.3095 -108721.3130 300.5856 -31.9317 -5.4728 760454.3544 -10.0848 -9.9109 PRESSURE: 2413200 291.184 -2.24105 -134.682 -2.24095 58.1154 57.9864 -134.683 57.9862 -187.93 GPRESSURE: 2413200 297.883 41.5634 -129.34 54.9187 114.083 98.8352 -178.189 91.6672 -177.211 PRESSAVG: 2413200 26.339 -50.5049 -1.82034 -50.5049 -17.9773 -6.28463 -1.82042 -6.28466 6.68325 GPRESSAVG: 2413200 25.6295 -52.7142 -1.24617 -49.0596 -16.6088 -4.78548 -2.72243 -9.30838 6.1269 TIMING: 2413200 CPU: 7701.95, 0.00321336/step Wall: 7701.95, 0.00321336/step, 2.30898 hours remaining, 233.304688 MB of memory in use. ENERGY: 2413200 3964.8007 20526.3449 14510.0229 251.3625 -203179.3237 2585.4931 0.0000 0.0000 52428.4913 -108912.8084 301.3073 -161341.2996 -108547.9358 300.6292 53.7895 78.2518 762041.0518 5.0150 5.0492 PRESSURE: 2413400 -488.277 206.68 134.829 206.68 -84.4879 7.06471 134.831 7.06515 -121.448 GPRESSURE: 2413400 -391.596 240.597 84.7512 114.66 -25.2676 15.6645 -33.9322 14.0809 -210.1 PRESSAVG: 2413400 58.8616 -65.0559 22.1998 -65.056 -18.908 -18.9183 22.1998 -18.9183 -15.8362 GPRESSAVG: 2413400 61.3254 -63.3557 24.2353 -65.2277 -22.3753 -19.5177 21.4496 -17.877 -15.0586 TIMING: 2413400 CPU: 7702.59, 0.00321466/step Wall: 7702.59, 0.00321466/step, 2.30973 hours remaining, 233.304688 MB of memory in use. ENERGY: 2413400 4043.6434 20764.7382 14469.0931 249.1349 -202963.8642 2181.3751 0.0000 0.0000 52404.2403 -108851.6391 301.1679 -161255.8795 -108491.6001 301.1856 -231.4041 -208.9879 763043.4911 8.0392 7.9638 PRESSURE: 2413600 123.763 -158.373 32.3389 -158.373 161.303 187.914 32.3385 187.913 -274.678 GPRESSURE: 2413600 158.02 -205.726 23.9947 -118.07 235.903 139.794 46.0373 226.702 -311.584 PRESSAVG: 2413600 37.6613 13.8616 13.1184 13.8616 -53.4448 47.5324 13.1184 47.5325 21.4704 GPRESSAVG: 2413600 36.9131 11.4708 11.9819 13.335 -51.718 48.3518 12.0824 50.3739 20.6292 TIMING: 2413600 CPU: 7703.23, 0.00321012/step Wall: 7703.23, 0.00321012/step, 2.30629 hours remaining, 233.304688 MB of memory in use. ENERGY: 2413600 4012.9445 20617.8828 14521.8460 250.0033 -202879.0127 2351.0732 0.0000 0.0000 52296.4034 -108828.8595 300.5481 -161125.2629 -108469.2445 300.7789 3.4627 27.4465 761217.6508 1.8956 1.9414 PRESSURE: 2413800 -164.935 122.543 -191.259 122.543 128.425 -0.22316 -191.259 -0.223222 -445.99 GPRESSURE: 2413800 -118.384 137.441 -127.02 207.69 136.078 -83.2952 -136.179 -27.8571 -411.814 PRESSAVG: 2413800 56.1034 -15.8705 -43.5922 -15.8705 -42.8053 9.94354 -43.5922 9.94355 -13.8609 GPRESSAVG: 2413800 55.1619 -16.9379 -44.5931 -14.313 -42.4633 8.53046 -41.7009 8.51933 -13.6307 TIMING: 2413800 CPU: 7703.87, 0.00318058/step Wall: 7703.87, 0.00318058/step, 2.28489 hours remaining, 233.304688 MB of memory in use. ENERGY: 2413800 3985.2026 20670.2035 14584.9623 240.8847 -202603.6544 2180.6321 0.0000 0.0000 52013.8233 -108927.9458 298.9242 -160941.7691 -108565.5453 300.8400 -160.8335 -131.3737 761482.4804 -0.1876 -0.3107 PRESSURE: 2414000 132.12 65.6655 -38.7338 65.6657 -331.198 -362.861 -38.7331 -362.862 74.1734 GPRESSURE: 2414000 65.7762 142.924 7.88213 122.81 -206.359 -279.103 -5.73241 -262.023 112.851 PRESSAVG: 2414000 17.34 -1.58406 7.32668 -1.58413 -31.8261 -27.144 7.32664 -27.144 -23.7338 GPRESSAVG: 2414000 17.9486 0.991503 7.94586 -3.77505 -31.5031 -27.2598 7.17507 -28.5864 -24.7931 TIMING: 2414000 CPU: 7704.51, 0.00322084/step Wall: 7704.51, 0.00322084/step, 2.31363 hours remaining, 233.304688 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: 2414000 3989.7795 20557.0771 14410.8611 258.7290 -202815.0687 2413.6460 0.0000 0.0000 52318.3328 -108866.6432 300.6742 -161184.9760 -108499.3956 300.4148 -41.6346 -9.2438 761196.0801 -12.7400 -12.7826 PRESSURE: 2414200 -123.687 214.291 87.0396 214.291 -265.586 -69.8932 87.0389 -69.8928 -360.98 GPRESSURE: 2414200 -115.262 112.139 99.119 43.4107 -165.282 -77.1795 124.775 -7.54841 -379.375 PRESSAVG: 2414200 77.6494 -56.3441 -7.23432 -56.344 -40.1396 -59.4613 -7.2343 -59.4613 21.6179 GPRESSAVG: 2414200 76.8062 -57.2212 -7.728 -55.7694 -40.3641 -60.1542 -5.59165 -57.3716 22.7672 TIMING: 2414200 CPU: 7705.15, 0.00320464/step Wall: 7705.15, 0.00320464/step, 2.30182 hours remaining, 233.304688 MB of memory in use. ENERGY: 2414200 3958.4231 20596.4376 14581.1571 221.7322 -202958.1345 2345.0342 0.0000 0.0000 52274.6193 -108980.7310 300.4230 -161255.3503 -108606.4382 300.7899 -250.0845 -219.9733 762831.5589 19.7092 19.7364 PRESSURE: 2414400 14.2417 108.402 153.082 108.402 66.9891 -33.1281 153.082 -33.1284 138.728 GPRESSURE: 2414400 23.9518 154.604 247.982 108.688 89.6308 -33.9473 -9.60714 -99.3953 175.478 PRESSAVG: 2414400 33.347 -2.87629 -28.0312 -2.87633 -42.6347 39.7281 -28.0313 39.728 -19.1071 GPRESSAVG: 2414400 34.5211 -3.7015 -25.7677 -2.97111 -43.7298 40.7054 -32.203 39.0145 -19.5851 TIMING: 2414400 CPU: 7705.79, 0.00320421/step Wall: 7705.79, 0.00320421/step, 2.30133 hours remaining, 233.304688 MB of memory in use. ENERGY: 2414400 3992.8303 20682.1332 14490.5529 246.2963 -202688.4145 2228.1515 0.0000 0.0000 51874.5220 -109173.9282 298.1236 -161048.4502 -108825.6679 300.1568 73.3195 96.3535 762145.1747 -9.4650 -9.5979 PRESSURE: 2414600 33.4037 -101.699 -67.8219 -101.698 -23.0961 207.877 -67.8216 207.877 291.518 GPRESSURE: 2414600 29.8124 -117.293 -57.6333 -140.068 25.2339 173.465 19.6653 188.567 339.313 PRESSAVG: 2414600 65.5882 -29.8166 -38.4953 -29.8167 -53.6812 19.7282 -38.4953 19.7283 29.2634 GPRESSAVG: 2414600 65.1156 -28.0198 -39.8026 -31.6793 -53.8486 19.3529 -35.2183 19.7331 29.436 TIMING: 2414600 CPU: 7706.44, 0.00320192/step Wall: 7706.44, 0.00320192/step, 2.29951 hours remaining, 233.304688 MB of memory in use. ENERGY: 2414600 4033.0478 20514.9686 14478.3830 240.2934 -203172.3341 2456.9337 0.0000 0.0000 52174.8264 -109273.8811 299.8494 -161448.7075 -108917.7232 299.6672 100.6087 131.4531 760183.8342 13.7235 13.5677 PRESSURE: 2414800 -80.8751 71.4181 -180.895 71.4184 255.415 -223.685 -180.895 -223.686 -24.6461 GPRESSURE: 2414800 25.4779 102.358 -186.509 95.5457 122.405 -297.914 -304.659 -133.884 103.075 PRESSAVG: 2414800 57.4914 -12.9007 -19.0659 -12.9006 -82.3441 -43.9886 -19.0659 -43.9887 8.28121 GPRESSAVG: 2414800 57.7012 -14.2526 -18.1773 -10.5491 -82.0167 -44.2974 -19.9611 -45.2523 7.85499 TIMING: 2414800 CPU: 7707.07, 0.00316262/step Wall: 7707.07, 0.00316262/step, 2.27111 hours remaining, 233.304688 MB of memory in use. ENERGY: 2414800 3913.1981 20564.3575 14423.5167 254.0122 -203307.4342 2361.7231 0.0000 0.0000 52391.6894 -109398.9373 301.0958 -161790.6267 -109030.8819 299.8160 49.9645 83.6525 759256.2037 -5.5238 -5.4868 PRESSURE: 2415000 188.5 101.902 99.2734 101.901 -6.30612 -60.6156 99.2727 -60.6156 470.355 GPRESSURE: 2415000 165.123 150.343 166.992 77.0273 87.0103 -97.7533 62.814 -72.8847 495.405 PRESSAVG: 2415000 84.4547 -1.40318 -26.7859 -1.40318 -36.8551 -33.3412 -26.7859 -33.3412 -20.8511 GPRESSAVG: 2415000 84.5497 0.866958 -26.5149 -2.29301 -38.2154 -32.4544 -27.3839 -33.5165 -19.3398 TIMING: 2415000 CPU: 7707.7, 0.00317084/step Wall: 7707.7, 0.00317084/step, 2.27684 hours remaining, 233.304688 MB of memory in use. ENERGY: 2415000 3928.9079 20352.6971 14566.2354 245.4620 -203502.0284 2974.2886 0.0000 0.0000 52052.6928 -109381.7446 299.1475 -161434.4375 -109021.5318 299.5371 217.5163 249.1795 761414.9439 8.9162 8.9982 PRESSURE: 2415200 50.0575 76.9591 127.918 76.9589 58.0395 80.9819 127.918 80.9814 228.045 GPRESSURE: 2415200 157.953 116.443 141.189 123.933 87.6343 68.4702 224.789 -11.9318 176.871 PRESSAVG: 2415200 60.6975 -5.12487 -68.5606 -5.12492 -42.0712 45.5661 -68.5606 45.566 -6.12823 GPRESSAVG: 2415200 61.4235 -6.73171 -69.513 -4.81557 -41.3183 44.9852 -66.4341 44.4836 -7.73171 TIMING: 2415200 CPU: 7708.34, 0.00319671/step Wall: 7708.34, 0.00319671/step, 2.29524 hours remaining, 233.304688 MB of memory in use. ENERGY: 2415200 3988.0946 20483.9030 14467.3693 240.6857 -203477.6501 2793.1637 0.0000 0.0000 52117.9737 -109386.4602 299.5227 -161504.4339 -109028.9360 299.1289 112.0472 140.8195 759957.3053 4.1660 4.1245 PRESSURE: 2415400 142.987 69.9405 -15.5027 69.9402 -238.172 -125.755 -15.5031 -125.754 -157.489 GPRESSURE: 2415400 124.856 102.52 101.359 140.753 -207.692 -47.7653 -88.7866 -50.806 -85.1842 PRESSAVG: 2415400 18.0044 -15.0943 1.1036 -15.0943 -72.1426 17.2957 1.10361 17.2958 18.3434 GPRESSAVG: 2415400 18.2668 -14.5112 -0.104039 -16.0485 -72.0381 16.8668 0.816169 17.124 18.4986 TIMING: 2415400 CPU: 7708.98, 0.0031811/step Wall: 7708.98, 0.0031811/step, 2.28386 hours remaining, 233.304688 MB of memory in use. ENERGY: 2415400 3993.8376 20506.1619 14518.1863 259.8158 -203052.5802 2442.5468 0.0000 0.0000 51854.1475 -109477.8841 298.0065 -161332.0316 -109119.7880 298.8860 -84.2249 -56.0066 761184.0297 -11.9316 -11.7576 PRESSURE: 2415600 455.661 -120.48 -35.4495 -120.48 22.2617 -148.921 -35.4501 -148.921 -149.223 GPRESSURE: 2415600 417.931 -82.6331 -85.6852 -46.4133 133.738 -151.355 -41.1469 -221.192 -130.101 PRESSAVG: 2415600 30.7667 1.80192 -22.9122 1.80203 -14.3369 16.4191 -22.9123 16.4191 0.393203 GPRESSAVG: 2415600 31.848 4.28673 -24.5729 2.7256 -14.0606 16.8228 -22.5792 18.2032 -0.688817 TIMING: 2415600 CPU: 7709.61, 0.00316965/step Wall: 7709.61, 0.00316965/step, 2.27546 hours remaining, 233.304688 MB of memory in use. ENERGY: 2415600 3952.0729 20611.2315 14411.5651 248.1114 -203380.1307 2765.8983 0.0000 0.0000 52014.7579 -109376.4937 298.9295 -161391.2516 -109015.8437 299.1227 109.5665 140.5228 760222.4145 5.6077 5.6995 PRESSURE: 2415800 90.3144 -149.767 39.3471 -149.767 -476.106 169.09 39.3476 169.089 70.014 GPRESSURE: 2415800 69.1113 -94.2538 -57.3811 -215.705 -414.379 233.438 105.662 59.9804 120.599 PRESSAVG: 2415800 28.068 -10.568 -15.7514 -10.568 -25.4016 -12.6652 -15.7513 -12.6652 -30.5863 GPRESSAVG: 2415800 26.7632 -12.727 -14.9276 -8.05744 -25.9695 -12.8761 -15.5134 -13.2766 -28.5586 TIMING: 2415800 CPU: 7710.25, 0.00317775/step Wall: 7710.25, 0.00317775/step, 2.2811 hours remaining, 233.304688 MB of memory in use. ENERGY: 2415800 3951.2386 20536.2103 14561.7029 232.4034 -203037.5299 2477.4341 0.0000 0.0000 51799.4968 -109479.0437 297.6924 -161278.5405 -109120.2166 298.8821 -105.2590 -74.8897 762396.3123 -9.3066 -9.2550 PRESSURE: 2416000 -83.3882 82.2458 240.89 82.2457 -6.65597 196.819 240.89 196.818 265.768 GPRESSURE: 2416000 -75.4563 32.8555 287.605 114.717 65.7063 254.839 63.4486 102.906 296.141 PRESSAVG: 2416000 -56.2529 -12.121 32.3184 -12.1211 40.1048 17.4017 32.3184 17.4017 13.2392 GPRESSAVG: 2416000 -55.8089 -12.1682 30.7804 -14.0955 40.1646 17.0922 31.5097 16.0334 12.5849 TIMING: 2416000 CPU: 7710.88, 0.00317388/step Wall: 7710.88, 0.00317388/step, 2.27814 hours remaining, 233.304688 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: 2416000 3866.3458 20439.2721 14487.1472 248.7517 -203805.7261 2865.6946 0.0000 0.0000 52215.2722 -109683.2425 300.0819 -161898.5147 -109319.5279 298.7187 58.5747 95.4637 761836.7215 -0.9697 -1.0198 PRESSURE: 2416200 192.378 -149.109 -160.746 -149.11 287.948 -89.0659 -160.746 -89.0655 236.419 GPRESSURE: 2416200 257.259 16.4598 -118.826 -125.476 248.437 -10.8437 -254.432 -90.2445 308.332 PRESSAVG: 2416200 21.9714 32.921 -86.7632 32.921 2.37849 -17.3462 -86.7632 -17.3461 -22.5768 GPRESSAVG: 2416200 21.7043 32.5865 -85.3394 33.6658 2.7606 -13.7632 -85.723 -16.8842 -22.7685 TIMING: 2416200 CPU: 7711.51, 0.00315112/step Wall: 7711.51, 0.00315112/step, 2.26163 hours remaining, 233.304688 MB of memory in use. ENERGY: 2416200 4041.9062 20349.3861 14502.5989 230.8434 -203941.9908 3154.8630 0.0000 0.0000 52070.9606 -109591.4327 299.2525 -161662.3933 -109223.9406 298.9547 238.9149 271.3425 759085.7872 0.5910 0.5655 LDB: ============= START OF LOAD BALANCING ============== 7723.94 LDB: ============== END OF LOAD BALANCING =============== 7723.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7723.94 LDB: ============= START OF LOAD BALANCING ============== 7724.25 LDB: Largest compute 7033 load 0.036680 is 18.8% of average load 0.195408 LDB: Average compute 0.004386 is 2.2% of average load 0.195408 LDB: TIME 7724.26 LOAD: AVG 0.195408 MAX 0.213245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 7724.26 LOAD: AVG 0.195408 MAX 0.213245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: TIME 7724.26 LOAD: AVG 0.195408 MAX 0.213245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: ============== END OF LOAD BALANCING =============== 7724.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7724.27 PRESSURE: 2416400 -332.595 -275.379 120.687 -275.379 -79.6968 -163.684 120.687 -163.686 478.022 GPRESSURE: 2416400 -231.132 -189.067 35.1418 -318.203 -66.1974 -164.68 57.6149 -264.396 445.573 PRESSAVG: 2416400 -52.6328 17.5698 -50.3032 17.5698 32.4646 -3.26348 -50.3032 -3.26346 21.2766 GPRESSAVG: 2416400 -52.8699 18.0673 -50.4978 17.2307 32.8101 -5.28061 -51.884 -3.83124 20.9954 TIMING: 2416400 CPU: 7712.16, 0.0032355/step Wall: 7712.16, 0.0032355/step, 2.32201 hours remaining, 232.792969 MB of memory in use. ENERGY: 2416400 3960.6719 20630.4392 14445.7609 259.9834 -203391.3785 2543.9860 0.0000 0.0000 52218.5992 -109331.9379 300.1010 -161550.5370 -108979.1100 299.1845 21.9097 49.4147 758973.9188 0.3694 0.3119 PRESSURE: 2416600 -60.8705 92.1487 -3.21024 92.1491 47.4411 79.455 -3.20963 79.455 -72.3073 GPRESSURE: 2416600 -88.2248 -23.1373 -78.6951 122.567 108.484 145.642 3.69354 47.7751 -39.861 PRESSAVG: 2416600 -36.8473 -4.91303 -32.513 -4.91301 -38.3088 2.4815 -32.5129 2.48148 1.01137 GPRESSAVG: 2416600 -37.1152 -4.94597 -31.7009 -4.54792 -38.1078 2.13926 -33.0458 4.49912 1.04983 TIMING: 2416600 CPU: 7712.8, 0.00319308/step Wall: 7712.8, 0.00319308/step, 2.29139 hours remaining, 232.792969 MB of memory in use. ENERGY: 2416600 4027.0472 20631.4011 14475.5340 245.4931 -203000.1748 2443.3192 0.0000 0.0000 52030.9126 -109146.4675 299.0224 -161177.3801 -108787.6390 299.6801 -28.5789 -6.5341 759797.9476 -24.7149 -24.7244 PRESSURE: 2416800 -25.7462 -45.8663 -80.1594 -45.8659 355.264 16.0091 -80.1596 16.0095 -44.1841 GPRESSURE: 2416800 66.3718 -37.9535 -26.6661 -28.2736 334.124 -83.29 -53.0523 106.48 -31.7774 PRESSAVG: 2416800 -7.14309 26.3573 -28.0539 26.3574 -2.31702 10.8643 -28.0539 10.8643 -10.043 GPRESSAVG: 2416800 -6.65258 24.2787 -28.6054 26.2505 -2.73416 9.98601 -26.295 12.3611 -10.034 TIMING: 2416800 CPU: 7713.43, 0.00318586/step Wall: 7713.43, 0.00318587/step, 2.28604 hours remaining, 232.792969 MB of memory in use. ENERGY: 2416800 4085.4507 20497.5588 14414.5131 244.2263 -203553.3106 2788.3051 0.0000 0.0000 52304.3452 -109218.9114 300.5938 -161523.2566 -108856.4460 300.0148 95.1112 122.9062 762441.1348 -6.5010 -6.4736 PRESSURE: 2417000 4.14963 30.1604 -228.029 30.1607 126.731 72.492 -228.03 72.4926 62.9778 GPRESSURE: 2417000 87.5248 52.2912 -293.897 6.30912 127.865 177.519 -154.509 50.4873 54.3643 PRESSAVG: 2417000 -31.1209 66.8934 5.05904 66.8934 -7.94407 14.1358 5.05908 14.1358 32.4082 GPRESSAVG: 2417000 -32.0262 68.1611 4.9724 65.2224 -6.84105 14.026 3.47444 12.2332 32.8696 TIMING: 2417000 CPU: 7714.07, 0.00319829/step Wall: 7714.07, 0.00319829/step, 2.29477 hours remaining, 232.792969 MB of memory in use. ENERGY: 2417000 4023.0497 20547.3615 14387.8185 247.0351 -203364.3501 2772.8369 0.0000 0.0000 52069.4317 -109316.8167 299.2437 -161386.2484 -108959.1893 299.7801 64.6194 89.9182 761603.1266 -2.2189 -1.9992 PRESSURE: 2417200 -29.1399 45.921 9.35582 45.9208 -57.4821 -64.2855 9.35688 -64.2857 139.651 GPRESSURE: 2417200 72.6574 10.7744 119.179 15.9811 -28.6229 -182.61 35.923 -100.128 96.4854 PRESSAVG: 2417200 2.33933 -8.02589 -53.3292 -8.02595 -19.6459 12.085 -53.3292 12.085 -22.893 GPRESSAVG: 2417200 2.21726 -6.83676 -54.2741 -8.02161 -19.8665 12.7824 -52.081 10.7852 -22.609 TIMING: 2417200 CPU: 7714.71, 0.00317035/step Wall: 7714.71, 0.00317035/step, 2.27455 hours remaining, 232.792969 MB of memory in use. ENERGY: 2417200 3990.9182 20495.7626 14428.7470 245.2504 -203099.9406 2486.2670 0.0000 0.0000 51989.2047 -109463.7908 298.7827 -161452.9955 -109089.8361 299.4061 17.6764 46.8399 759894.3018 -13.3999 -13.4194 PRESSURE: 2417400 -283.207 121.42 200.329 121.42 -476.624 145.916 200.328 145.915 47.0544 GPRESSURE: 2417400 -289.497 86.5572 178.451 105.644 -405.713 112.202 249.845 114.312 60.203 PRESSAVG: 2417400 11.1109 16.4119 -24.6425 16.4119 18.8692 23.3684 -24.6425 23.3685 21.7152 GPRESSAVG: 2417400 10.894 14.909 -22.4207 19.6051 19.1789 23.8373 -27.3873 25.1196 21.0495 TIMING: 2417400 CPU: 7715.35, 0.00321751/step Wall: 7715.35, 0.00321751/step, 2.3082 hours remaining, 232.792969 MB of memory in use. ENERGY: 2417400 3943.4580 20530.6929 14527.6451 236.3867 -203157.1468 2366.2433 0.0000 0.0000 52027.6599 -109525.0609 299.0037 -161552.7208 -109160.1279 299.3622 -237.5922 -211.6688 762613.0973 17.2318 17.0408 PRESSURE: 2417600 -145.208 -103.658 -186.749 -103.659 97.2106 42.7831 -186.749 42.7826 -58.6893 GPRESSURE: 2417600 -50.9796 4.57047 -155.929 -105.517 46.4216 54.7933 -211.74 -23.1871 -2.17534 PRESSAVG: 2417600 -42.2948 17.1727 -89.1575 17.1727 39.7347 12.0351 -89.1575 12.0351 -22.1712 GPRESSAVG: 2417600 -41.8909 21.8469 -89.6034 12.6672 38.1963 11.0928 -86.9928 10.8362 -20.761 TIMING: 2417600 CPU: 7715.99, 0.00318515/step Wall: 7715.99, 0.00318515/step, 2.28482 hours remaining, 232.792969 MB of memory in use. ENERGY: 2417600 4046.5907 20499.2587 14421.4645 225.6604 -203357.1336 2506.0101 0.0000 0.0000 52097.8936 -109560.2556 299.4073 -161658.1492 -109195.5148 299.1965 -35.5624 -2.2444 760617.1423 -8.2438 -8.1519 PRESSURE: 2417800 -120.496 -73.0845 -0.462084 -73.085 -199.733 -93.5976 -0.461214 -93.5975 54.6448 GPRESSURE: 2417800 -231.576 -77.8342 99.0924 -64.4723 -79.9943 -80.9365 51.2661 -0.850271 123.582 PRESSAVG: 2417800 -43.1999 -28.4593 -57.6178 -28.4593 35.9518 40.7193 -57.6179 40.7193 -7.38734 GPRESSAVG: 2417800 -43.5125 -31.4851 -57.825 -26.715 37.4489 40.1941 -59.5008 40.6691 -8.57726 TIMING: 2417800 CPU: 7716.63, 0.0032182/step Wall: 7716.63, 0.0032182/step, 2.30834 hours remaining, 232.792969 MB of memory in use. ENERGY: 2417800 3974.0536 20588.3561 14445.3851 240.1428 -203224.4757 2264.4994 0.0000 0.0000 52270.5123 -109441.5264 300.3994 -161712.0386 -109082.0542 299.1250 -88.5282 -62.6630 760488.9745 -4.8785 -4.8803 PRESSURE: 2418000 -14.3493 102.016 51.4059 102.015 -106.385 86.0924 51.4055 86.0917 139.638 GPRESSURE: 2418000 135.321 55.3172 138.625 96.9515 -173.257 5.38449 -115.14 84.2352 138.814 PRESSAVG: 2418000 49.598 -2.52959 -18.0434 -2.52959 -8.07249 3.62159 -18.0433 3.62163 -9.43182 GPRESSAVG: 2418000 50.0438 -2.9601 -17.6443 -2.45514 -7.93015 4.0776 -16.0734 4.81809 -10.1141 TIMING: 2418000 CPU: 7717.27, 0.0031853/step Wall: 7717.27, 0.0031853/step, 2.28457 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2418000 3968.1365 20636.5912 14472.5694 245.3954 -202992.5773 2356.7112 0.0000 0.0000 51831.2075 -109481.9660 297.8747 -161313.1735 -109129.7146 299.2519 6.3014 33.6258 759834.7197 10.6979 10.6665 PRESSURE: 2418200 196.05 -36.1404 -386.266 -36.1402 370.978 -35.1664 -386.266 -35.1656 -167.024 GPRESSURE: 2418200 108.242 14.5772 -361.783 -3.65803 437.93 -20.1247 -373.902 -2.11987 -64.3473 PRESSAVG: 2418200 3.38795 -25.0226 -27.037 -25.0226 -40.858 26.0144 -27.037 26.0144 -7.98275 GPRESSAVG: 2418200 4.23777 -23.0599 -28.6765 -24.1515 -42.5349 26.2123 -26.7535 25.0034 -6.71845 TIMING: 2418200 CPU: 7717.91, 0.00322178/step Wall: 7717.91, 0.00322178/step, 2.31055 hours remaining, 232.792969 MB of memory in use. ENERGY: 2418200 3906.5213 20458.3241 14428.6892 253.3582 -203420.9379 2581.2455 0.0000 0.0000 52271.0145 -109521.7851 300.4022 -161792.7996 -109143.7672 298.8497 133.3345 160.6082 760167.5569 -15.1509 -15.0052 PRESSURE: 2418400 -36.3222 -194.003 121.632 -194.003 -356.464 -122.271 121.632 -122.27 296.186 GPRESSURE: 2418400 -82.2543 -162.459 107.886 -181.004 -248.12 9.85388 74.9597 -112.147 323.644 PRESSAVG: 2418400 32.2611 17.7168 -21.4298 17.7169 25.2939 -26.0401 -21.4298 -26.0401 -15.6555 GPRESSAVG: 2418400 31.3846 16.8159 -19.1896 18.0258 27.0871 -24.6763 -23.6185 -25.2726 -16.5438 TIMING: 2418400 CPU: 7718.55, 0.00318983/step Wall: 7718.55, 0.00318983/step, 2.28746 hours remaining, 232.792969 MB of memory in use. ENERGY: 2418400 3978.2835 20425.9853 14478.3943 234.8228 -203574.6031 2553.4322 0.0000 0.0000 52265.6904 -109637.9946 300.3716 -161903.6850 -109280.0644 299.3592 -32.1998 -2.2436 761570.7118 13.9665 13.9760 PRESSURE: 2418600 -122.269 -182.268 -9.16621 -182.268 -25.3114 -262.711 -9.1664 -262.711 -110.857 GPRESSURE: 2418600 -80.227 -245.254 11.6269 -134.402 51.2068 -219.082 35.4744 -202.135 -130.567 PRESSAVG: 2418600 33.6877 -40.6545 -80.9522 -40.6545 -20.5248 9.9053 -80.9522 9.90533 -13.7044 GPRESSAVG: 2418600 32.8267 -40.8693 -82.5274 -41.5782 -21.3017 8.67958 -81.015 9.47777 -12.5293 TIMING: 2418600 CPU: 7719.2, 0.00322046/step Wall: 7719.2, 0.00322046/step, 2.30925 hours remaining, 232.792969 MB of memory in use. ENERGY: 2418600 4037.8382 20598.1396 14495.4014 243.0734 -203769.7518 2782.0360 0.0000 0.0000 52132.2634 -109480.9997 299.6048 -161613.2632 -109124.3231 299.6262 -86.1458 -53.1956 760785.0804 -0.1805 -0.3347 PRESSURE: 2418800 144.091 -174.154 158.657 -174.154 -2.49001 164.93 158.658 164.93 -403.59 GPRESSURE: 2418800 196.102 -190.371 215.416 -107.258 51.8814 205.467 39.9256 216.117 -404.019 PRESSAVG: 2418800 -4.6956 -20.8892 -47.4452 -20.8891 5.51372 38.9629 -47.4452 38.9628 16.5989 GPRESSAVG: 2418800 -3.89454 -23.318 -47.4118 -19.7813 6.14698 38.7834 -45.5921 38.4511 15.3203 TIMING: 2418800 CPU: 7719.84, 0.00322697/step Wall: 7719.84, 0.00322697/step, 2.31374 hours remaining, 232.792969 MB of memory in use. ENERGY: 2418800 3955.1249 20536.7868 14465.3656 259.3168 -203346.9237 2485.3399 0.0000 0.0000 52151.8458 -109493.1439 299.7174 -161644.9897 -109123.4640 299.4537 -87.3297 -52.0118 760683.8341 5.8057 5.8576 PRESSURE: 2419000 66.1045 -24.5587 99.248 -24.5582 -61.6741 -1.15107 99.2483 -1.15157 -260.396 GPRESSURE: 2419000 71.2453 -74.0653 73.9259 37.501 -46.2123 16.0565 186.753 75.2712 -199.473 PRESSAVG: 2419000 25.5288 -18.5224 -41.2296 -18.5223 -28.288 56.3597 -41.2297 56.3596 2.74715 GPRESSAVG: 2419000 26.0179 -17.22 -42.4346 -20.4946 -27.7753 56.5606 -40.9763 55.3754 2.37888 TIMING: 2419000 CPU: 7720.49, 0.00321755/step Wall: 7720.49, 0.00321755/step, 2.30681 hours remaining, 232.792969 MB of memory in use. ENERGY: 2419000 3977.0059 20447.5565 14412.3364 249.4267 -203362.6501 2499.2502 0.0000 0.0000 52139.9985 -109637.0758 299.6493 -161777.0744 -109278.0613 298.9852 -85.3220 -58.1467 760958.9911 -0.0040 0.2072 PRESSURE: 2419200 86.7327 -166.785 111.205 -166.784 -339.556 -42.0202 111.206 -42.0205 4.42224 GPRESSURE: 2419200 119.907 -2.37773 101.284 -10.8409 -263.001 -50.5658 90.6172 -65.4284 -22.8912 PRESSAVG: 2419200 9.80557 -48.6761 12.8301 -48.6761 -4.92489 -4.22337 12.8301 -4.2234 -8.42891 GPRESSAVG: 2419200 10.3554 -47.6402 14.4734 -46.125 -6.12273 -3.42542 12.4868 -2.36258 -8.50719 TIMING: 2419200 CPU: 7721.12, 0.00319683/step Wall: 7721.12, 0.00319683/step, 2.29177 hours remaining, 232.792969 MB of memory in use. ENERGY: 2419200 3931.6875 20386.9419 14432.3985 278.1155 -202934.7585 2097.0329 0.0000 0.0000 52180.4247 -109628.1575 299.8816 -161808.5822 -109256.2447 298.7565 -82.8002 -55.3286 761490.8008 -1.1827 -1.4248 PRESSURE: 2419400 -11.3526 43.9503 -206.819 43.9509 47.2836 -147.101 -206.819 -147.102 207.774 GPRESSURE: 2419400 -37.6664 74.9911 -219.888 -23.2336 96.3488 -138.373 -111.721 -25.6253 265.613 PRESSAVG: 2419400 41.0324 8.11031 -7.06602 8.11031 -5.50032 -92.1709 -7.06601 -92.171 5.58048 GPRESSAVG: 2419400 40.1286 6.08803 -7.17119 6.86928 -5.47181 -92.242 -8.8984 -91.871 6.6267 TIMING: 2419400 CPU: 7721.77, 0.00320773/step Wall: 7721.77, 0.00320773/step, 2.29941 hours remaining, 232.792969 MB of memory in use. ENERGY: 2419400 3964.3577 20424.0315 14411.7569 226.2731 -203189.8388 2542.5268 0.0000 0.0000 51800.3982 -109820.4945 297.6976 -161620.8926 -109450.8043 298.3008 81.2348 108.0985 761048.6609 13.7042 13.7612 PRESSURE: 2419600 -143.013 -103.783 -62.7332 -103.784 -178.585 270.845 -62.7335 270.845 -1.21355 GPRESSURE: 2419600 -56.9532 1.95757 -63.839 -115.971 -151.053 245.371 42.9475 172.403 -47.018 PRESSAVG: 2419600 -63.7371 -17.4958 -28.5443 -17.4957 38.9441 10.3911 -28.5442 10.3912 15.568 GPRESSAVG: 2419600 -62.7412 -15.5406 -29.9595 -18.819 38.2979 10.9979 -26.4387 10.2207 14.6851 TIMING: 2419600 CPU: 7722.4, 0.00319347/step Wall: 7722.4, 0.00319347/step, 2.289 hours remaining, 232.792969 MB of memory in use. ENERGY: 2419600 3927.1777 20532.9211 14457.0442 260.0490 -203220.2057 2454.7346 0.0000 0.0000 51714.2934 -109873.9858 297.2028 -161588.2792 -109517.2878 298.2540 -107.6040 -85.0079 761799.6377 -3.0750 -3.2527 PRESSURE: 2419800 -122.77 -371.079 -103.286 -371.079 -276.984 -248.659 -103.286 -248.659 -131.352 GPRESSURE: 2419800 -161.103 -252.273 -153.94 -278.217 -188.677 -283.364 -173.288 -93.1756 -91.6218 PRESSAVG: 2419800 -11.1946 -50.2975 -43.5437 -50.2975 -2.89707 20.1157 -43.5437 20.1156 -23.0222 GPRESSAVG: 2419800 -12.4862 -50.1303 -42.9664 -47.6956 -2.23467 20.6461 -45.9502 19.2181 -22.5473 TIMING: 2419800 CPU: 7723.06, 0.00325513/step Wall: 7723.06, 0.00325513/step, 2.33302 hours remaining, 232.792969 MB of memory in use. ENERGY: 2419800 3984.7642 20292.2831 14537.1349 262.6068 -203470.3465 2566.2447 0.0000 0.0000 52174.3574 -109652.9554 299.8467 -161827.3129 -109286.4463 298.8660 -177.0352 -147.1340 760832.9206 -12.3713 -12.4227 PRESSURE: 2420000 -100.199 -87.8075 9.86662 -87.8069 -237.3 -38.8845 9.86729 -38.8845 -158.621 GPRESSURE: 2420000 -17.8624 -60.5208 61.703 -105.858 -239.68 -37.9809 -42.9941 91.2254 -129.552 PRESSAVG: 2420000 -32.7685 -109.907 -36.5004 -109.907 -23.9982 30.4375 -36.5005 30.4374 1.83157 GPRESSAVG: 2420000 -31.5329 -110.634 -37.5947 -112.151 -25.1798 30.0527 -35.1267 30.5312 1.68801 TIMING: 2420000 CPU: 7723.7, 0.0032066/step Wall: 7723.7, 0.0032066/step, 2.29806 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2420000 3969.1763 20527.6369 14475.9485 264.3797 -203430.9364 2499.4901 0.0000 0.0000 51953.8200 -109740.4849 298.5793 -161694.3049 -109379.2650 298.8901 -165.3735 -129.0314 761721.9970 -18.3117 -18.3416 PRESSURE: 2420200 154.629 -39.3401 186.336 -39.3402 0.766465 -58.9328 186.335 -58.9324 96.6503 GPRESSURE: 2420200 133.017 57.9082 99.5678 -92.1415 79.3637 -27.7038 279.567 -5.86934 129.381 PRESSAVG: 2420200 5.11561 -39.732 19.6097 -39.732 7.55754 -5.15261 19.6096 -5.15252 -26.0253 GPRESSAVG: 2420200 3.90888 -38.9275 20.4882 -39.2021 7.7427 -5.20142 21.3599 -5.23888 -24.9477 TIMING: 2420200 CPU: 7724.34, 0.00319687/step Wall: 7724.34, 0.00319687/step, 2.29091 hours remaining, 232.792969 MB of memory in use. ENERGY: 2420200 3951.0895 20413.2539 14524.6472 226.7260 -203697.1444 2764.9606 0.0000 0.0000 52046.1628 -109770.3046 299.1100 -161816.4674 -109393.4883 298.7661 84.0154 113.9206 761090.5952 -4.4507 -4.4320 LDB: ============= START OF LOAD BALANCING ============== 7736.76 LDB: ============== END OF LOAD BALANCING =============== 7736.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7736.76 LDB: ============= START OF LOAD BALANCING ============== 7737.08 LDB: Largest compute 7033 load 0.034360 is 17.6% of average load 0.195409 LDB: Average compute 0.004404 is 2.3% of average load 0.195409 LDB: TIME 7737.09 LOAD: AVG 0.195409 MAX 0.212696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 7737.09 LOAD: AVG 0.195409 MAX 0.212696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: TIME 7737.09 LOAD: AVG 0.195409 MAX 0.212696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: ============== END OF LOAD BALANCING =============== 7737.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7737.09 PRESSURE: 2420400 33.2708 -9.47386 14.1979 -9.47493 228.24 -40.1528 14.1982 -40.1539 -337.812 GPRESSURE: 2420400 96.2832 96.5902 25.8312 -36.2894 219.223 -122.978 85.0095 204.33 -287.694 PRESSAVG: 2420400 -4.31695 -23.0828 -26.2997 -23.0828 -37.8761 -26.7929 -26.2997 -26.7929 14.3215 GPRESSAVG: 2420400 -4.5161 -24.4802 -25.7661 -22.8078 -37.2171 -26.1648 -29.0568 -27.0324 14.1563 TIMING: 2420400 CPU: 7724.99, 0.00325286/step Wall: 7724.99, 0.00325286/step, 2.33085 hours remaining, 232.082031 MB of memory in use. ENERGY: 2420400 3993.3374 20540.3735 14487.5265 260.3281 -203669.8603 2695.8688 0.0000 0.0000 51977.0212 -109715.4047 298.7127 -161692.4259 -109351.4776 298.5935 -25.4337 9.2707 759756.3411 -9.2905 -9.1923 PRESSURE: 2420600 147.067 113.235 31.1565 113.235 87.5134 -99.0205 31.1566 -99.0204 105.27 GPRESSURE: 2420600 78.961 185.224 14.8129 -7.54464 170.247 -91.5253 100.792 -95.3672 158.415 PRESSAVG: 2420600 -16.8312 -34.9599 -32.9753 -34.96 26.9439 14.4847 -32.9753 14.4847 11.837 GPRESSAVG: 2420600 -16.5969 -34.4401 -33.6235 -34.6863 27.806 12.6114 -30.9005 15.6712 10.8789 TIMING: 2420600 CPU: 7725.63, 0.00321987/step Wall: 7725.63, 0.00321987/step, 2.30704 hours remaining, 232.082031 MB of memory in use. ENERGY: 2420600 3894.3979 20510.2696 14438.6563 259.7497 -202947.9131 2262.3962 0.0000 0.0000 51991.8946 -109590.5487 298.7981 -161582.4434 -109225.0330 298.5872 113.2833 135.8745 759513.1634 7.3165 7.3627 PRESSURE: 2420800 17.8164 120.321 -174.623 120.321 -98.1782 216.381 -174.623 216.382 298.266 GPRESSURE: 2420800 67.7337 -8.41022 -156.119 81.0046 -50.3362 209.403 -179.349 250.979 300.698 PRESSAVG: 2420800 -33.0382 -11.0229 8.65039 -11.0229 24.2543 32.3238 8.6504 32.3237 7.93821 GPRESSAVG: 2420800 -31.1467 -11.9462 7.9281 -11.0748 23.033 34.7027 6.71093 32.9835 7.73291 TIMING: 2420800 CPU: 7726.27, 0.00320226/step Wall: 7726.27, 0.00320226/step, 2.29424 hours remaining, 232.082031 MB of memory in use. ENERGY: 2420800 3905.2477 20418.4123 14498.7957 249.9890 -203433.4931 2603.2491 0.0000 0.0000 51980.5580 -109777.2414 298.7330 -161757.7995 -109409.7689 298.9481 72.6348 106.0318 759694.4649 -0.2819 -0.1270 PRESSURE: 2421000 -397.329 -39.0429 35.4435 -39.043 -34.1625 160.674 35.4436 160.675 42.982 GPRESSURE: 2421000 -324.004 -61.8586 31.7787 -123.257 -32.1473 148.702 41.3834 111.124 53.5915 PRESSAVG: 2421000 -50.849 -57.9807 2.14422 -57.9807 126.684 16.6346 2.1442 16.6346 14.384 GPRESSAVG: 2421000 -52.8461 -58.7802 2.54058 -57.9523 128.043 14.9806 2.13301 16.4147 14.7003 TIMING: 2421000 CPU: 7726.91, 0.00319866/step Wall: 7726.91, 0.00319866/step, 2.29149 hours remaining, 232.082031 MB of memory in use. ENERGY: 2421000 4004.3175 20514.7077 14516.4544 261.0211 -202762.7553 1994.6072 0.0000 0.0000 51855.0908 -109616.5566 298.0119 -161471.6474 -109249.1248 298.8197 -129.5033 -100.8531 760618.2874 30.0729 29.9658 PRESSURE: 2421200 -143.347 -48.5932 45.8282 -48.5935 -170.322 -171.686 45.828 -171.686 497.613 GPRESSURE: 2421200 -176.434 -90.6306 124.267 -95.2139 -42.0448 -61.3363 -33.0933 -143.241 491.667 PRESSAVG: 2421200 -28.6632 -42.1383 -4.35013 -42.1382 57.1716 40.2552 -4.3502 40.2552 -0.518377 GPRESSAVG: 2421200 -26.9557 -40.7313 -1.81891 -42.7686 56.0124 39.8737 -5.29978 39.5587 -0.821577 TIMING: 2421200 CPU: 7727.56, 0.00323919/step Wall: 7727.56, 0.00323919/step, 2.32034 hours remaining, 232.082031 MB of memory in use. ENERGY: 2421200 3991.1055 20495.1813 14465.2578 231.7432 -203212.9187 2262.2538 0.0000 0.0000 52079.1099 -109688.2672 299.2994 -161767.3771 -109342.9509 299.2762 61.3146 91.0627 760335.1154 9.3300 9.4117 PRESSURE: 2421400 289.74 -82.4524 -168.566 -82.4522 -255.881 -62.7967 -168.567 -62.7962 322.601 GPRESSURE: 2421400 235.343 -70.2186 -143.49 -96.2967 -158.298 -94.2292 -112.502 71.7819 353.937 PRESSAVG: 2421400 -20.2241 -13.8492 -15.6746 -13.8492 38.186 -2.14734 -15.6746 -2.14725 -16.3265 GPRESSAVG: 2421400 -20.955 -12.2852 -17.0107 -12.3172 38.3163 0.0103337 -14.6456 -4.77873 -15.7528 TIMING: 2421400 CPU: 7728.2, 0.00322721/step Wall: 7728.2, 0.00322721/step, 2.31158 hours remaining, 232.082031 MB of memory in use. ENERGY: 2421400 3963.1928 20437.4090 14476.6885 241.0071 -203724.6082 2767.7982 0.0000 0.0000 51990.3378 -109848.1748 298.7892 -161838.5127 -109489.4176 298.4547 118.8199 143.6609 758954.2965 0.5451 0.5362 PRESSURE: 2421600 -129.413 150.425 -121.054 150.425 -200.384 -10.887 -121.054 -10.8881 268.17 GPRESSURE: 2421600 -14.0735 155.717 -90.5498 152.92 -223.452 -12.9129 -177.574 -67.4218 291.42 PRESSAVG: 2421600 -2.65974 -69.0807 4.22775 -69.0807 -28.8658 -35.7514 4.22774 -35.7514 -4.51813 GPRESSAVG: 2421600 -3.19132 -71.9998 3.93606 -70.1171 -27.555 -37.9518 5.17332 -32.1002 -5.31399 TIMING: 2421600 CPU: 7728.85, 0.00321778/step Wall: 7728.85, 0.00321778/step, 2.30464 hours remaining, 232.285156 MB of memory in use. ENERGY: 2421600 3961.1209 20408.4025 14415.6768 238.9961 -203050.1013 2262.6968 0.0000 0.0000 51649.3343 -110113.8738 296.8294 -161763.2081 -109760.3661 298.4783 -20.5424 17.9648 759985.3239 -12.0146 -12.0201 PRESSURE: 2421800 30.3324 -75.581 -12.8285 -75.5811 121.635 -112.348 -12.8289 -112.347 37.5593 GPRESSURE: 2421800 42.8946 -94.3998 13.8826 -88.1449 115.469 -28.8754 -19.9488 -163.023 100.556 PRESSAVG: 2421800 -2.48496 -37.6025 19.4336 -37.6025 19.607 -6.87578 19.4336 -6.87575 6.39685 GPRESSAVG: 2421800 -2.06729 -36.9649 17.5351 -35.7922 18.7391 -5.84757 20.4838 -9.49382 7.17653 TIMING: 2421800 CPU: 7729.5, 0.0032448/step Wall: 7729.5, 0.0032448/step, 2.32382 hours remaining, 232.285156 MB of memory in use. ENERGY: 2421800 3908.1706 20327.6382 14445.5798 255.9899 -203103.3137 2319.0238 0.0000 0.0000 51639.0576 -110207.8538 296.7704 -161846.9114 -109852.1338 298.0032 63.1757 86.3066 760717.5982 7.8396 7.9495 PRESSURE: 2422000 -85.3887 -83.8089 35.9603 -83.8087 39.9388 61.9917 35.9603 61.9923 244.838 GPRESSURE: 2422000 -6.43831 -82.9119 96.2682 -63.7323 92.8856 58.3058 -41.3156 -36.1065 204.211 PRESSAVG: 2422000 -10.3515 -10.5829 3.91875 -10.583 27.2281 -32.9356 3.91876 -32.9357 -10.8239 GPRESSAVG: 2422000 -8.55754 -9.8219 4.53762 -11.7594 27.7396 -33.1244 1.53724 -30.1834 -12.2531 TIMING: 2422000 CPU: 7730.15, 0.00324959/step Wall: 7730.15, 0.00324959/step, 2.32707 hours remaining, 232.285156 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: 2422000 3961.7055 20368.2697 14455.6173 246.1536 -203491.5095 2318.9391 0.0000 0.0000 51999.1420 -110141.6823 298.8398 -162140.8243 -109784.0833 297.4401 66.4626 96.8860 758383.4243 2.0176 2.3097 PRESSURE: 2422200 -136.73 -97.6331 2.7805 -97.634 30.5229 11.1051 2.78006 11.1049 86.4642 GPRESSURE: 2422200 -94.2322 -109.716 -7.14554 -139.769 41.5213 11.0974 35.9721 -42.2431 89.2965 PRESSAVG: 2422200 -17.2728 -53.1145 3.35543 -53.1145 14.1456 -57.9217 3.35537 -57.9217 -3.78906 GPRESSAVG: 2422200 -19.5575 -53.4861 3.7186 -54.1363 14.0162 -58.4208 4.68582 -60.5476 -1.56291 TIMING: 2422200 CPU: 7730.79, 0.00322069/step Wall: 7730.79, 0.00322069/step, 2.30619 hours remaining, 232.285156 MB of memory in use. ENERGY: 2422200 4005.1179 20561.6750 14392.1019 248.6871 -203341.9197 2286.9066 0.0000 0.0000 51758.6588 -110088.7725 297.4577 -161847.4313 -109744.5133 297.7160 -6.5810 12.1952 758551.6467 -2.3054 -2.3681 PRESSURE: 2422400 -92.1926 57.8173 166.197 57.8179 -92.5007 138.237 166.197 138.238 -423.949 GPRESSURE: 2422400 -80.0387 105.923 193.953 64.4822 24.8675 91.6549 226.054 104.037 -488.014 PRESSAVG: 2422400 22.4703 -94.6017 32.7633 -94.6017 -20.4392 -13.6847 32.7634 -13.6847 4.40145 GPRESSAVG: 2422400 23.4668 -92.4747 32.5279 -95.8383 -19.4073 -12.6731 31.4006 -12.9848 3.08004 TIMING: 2422400 CPU: 7731.44, 0.00323387/step Wall: 7731.44, 0.00323387/step, 2.31545 hours remaining, 232.285156 MB of memory in use. ENERGY: 2422400 4002.0407 20364.9342 14480.3602 236.8220 -203352.4163 2191.8051 0.0000 0.0000 51950.0147 -110126.4393 298.5574 -162076.4540 -109765.4351 298.3243 -202.8809 -181.0617 758315.8542 2.1442 2.3798 PRESSURE: 2422600 184.199 -143.169 107.298 -143.17 12.2913 62.4004 107.298 62.4003 -374.915 GPRESSURE: 2422600 180.406 -90.0854 57.5965 -148.253 46.1422 70.03 62.6276 -129.224 -334.283 PRESSAVG: 2422600 -8.5906 -6.21199 30.5973 -6.212 -7.3243 -44.4639 30.5973 -44.464 -8.61018 GPRESSAVG: 2422600 -8.87702 -5.75234 32.3848 -6.72177 -7.53734 -44.8018 31.78 -46.5594 -7.59367 TIMING: 2422600 CPU: 7732.08, 0.00321649/step Wall: 7732.08, 0.00321649/step, 2.30283 hours remaining, 232.285156 MB of memory in use. ENERGY: 2422600 3928.8016 20479.5525 14442.0828 240.6563 -203447.3302 2418.9829 0.0000 0.0000 51910.5685 -110026.6855 298.3308 -161937.2540 -109674.5004 298.1275 -59.4748 -35.9114 760658.3576 -8.1750 -8.0027 PRESSURE: 2422800 -284.04 -56.7213 160.174 -56.7212 239.381 -217.828 160.174 -217.827 48.3294 GPRESSURE: 2422800 -138.085 39.0378 89.2498 -123.862 221.706 -215.237 51.2249 -106.59 14.2797 PRESSAVG: 2422800 42.2934 -71.5143 8.06824 -71.5143 -29.5712 -67.7797 8.06818 -67.7796 11.3323 GPRESSAVG: 2422800 42.5681 -71.8734 6.5204 -67.9804 -29.7959 -68.3246 6.69642 -64.7159 11.9591 TIMING: 2422800 CPU: 7732.72, 0.00319669/step Wall: 7732.72, 0.00319669/step, 2.28847 hours remaining, 232.285156 MB of memory in use. ENERGY: 2422800 4002.5776 20410.4708 14400.7907 238.2594 -203849.8474 2566.8385 0.0000 0.0000 51988.8028 -110242.1075 298.7804 -162230.9103 -109878.9920 297.9570 1.2235 32.6335 759533.1440 8.0182 8.2437 PRESSURE: 2423000 -83.561 26.0721 13.6249 26.0713 48.2319 -27.4546 13.6251 -27.4542 271.73 GPRESSURE: 2423000 -50.1687 -62.3941 -11.8785 76.5379 -11.3222 -16.6422 -11.5191 42.3252 367.12 PRESSAVG: 2423000 -21.3794 -88.2172 17.9925 -88.2172 15.3117 -30.1492 17.9926 -30.1493 8.71928 GPRESSAVG: 2423000 -20.4678 -89.0064 17.8736 -90.766 16.4358 -29.6467 17.9493 -29.602 7.18214 TIMING: 2423000 CPU: 7733.36, 0.00321699/step Wall: 7733.36, 0.00321699/step, 2.30283 hours remaining, 232.285156 MB of memory in use. ENERGY: 2423000 4020.1804 20437.9892 14449.8960 243.7676 -204039.2593 2741.4406 0.0000 0.0000 52107.9312 -110038.0544 299.4650 -162145.9856 -109679.7545 298.2868 78.8002 101.8763 760532.7358 0.8839 1.0500 PRESSURE: 2423200 -8.59354 -103.545 93.5842 -103.545 -60.6859 -84.5115 93.5846 -84.5103 -193.691 GPRESSURE: 2423200 15.8918 -43.1663 103.418 -182.98 -69.7463 -128.894 80.5333 -88.8151 -117.137 PRESSAVG: 2423200 -0.724916 -51.003 37.5561 -51.003 7.01031 2.31946 37.5561 2.31947 0.0499837 GPRESSAVG: 2423200 -1.0335 -50.5746 38.7038 -50.6171 5.50353 2.00657 39.1656 1.3003 1.97818 TIMING: 2423200 CPU: 7734, 0.0032052/step Wall: 7734, 0.0032052/step, 2.29421 hours remaining, 232.285156 MB of memory in use. ENERGY: 2423200 3975.2400 20456.6141 14513.3679 247.0502 -203697.8411 2541.3581 0.0000 0.0000 52007.5025 -109956.7084 298.8878 -161964.2109 -109591.8030 298.5519 -87.6567 -56.9972 760013.5696 2.1118 2.1494 PRESSURE: 2423400 -185.826 18.7217 119.218 18.7217 -118.134 -63.9676 119.218 -63.9678 -99.6747 GPRESSURE: 2423400 -35.6484 -0.874753 111.965 59.7897 -46.2073 -82.8403 185.101 -11.339 -223.915 PRESSAVG: 2423400 -9.48896 -89.7434 46.2184 -89.7434 -29.9064 -14.5725 46.2184 -14.5724 -10.519 GPRESSAVG: 2423400 -8.79112 -91.2895 44.4711 -87.7227 -29.7727 -14.4324 48.1488 -13.1537 -11.4654 TIMING: 2423400 CPU: 7734.64, 0.00318138/step Wall: 7734.64, 0.00318138/step, 2.27699 hours remaining, 232.285156 MB of memory in use. ENERGY: 2423400 4014.1417 20423.8812 14446.9761 249.1790 -203836.1381 2724.0618 0.0000 0.0000 52069.5848 -109908.3135 299.2446 -161977.8983 -109536.5240 298.8020 -134.5448 -101.9237 760961.5499 -16.6381 -16.6764 PRESSURE: 2423600 299.819 -16.0456 59.6791 -16.0457 -109.255 -232.072 59.6797 -232.072 265.637 GPRESSURE: 2423600 303.809 -51.4085 13.5667 -14.5897 16.9312 -32.1253 84.945 -260.3 245.311 PRESSAVG: 2423600 76.3495 -3.8068 28.678 -3.80683 -3.47334 56.8947 28.678 56.8947 35.142 GPRESSAVG: 2423600 74.8078 -3.53528 28.757 -4.85054 -1.5527 59.0594 28.7379 53.6933 35.2166 TIMING: 2423600 CPU: 7735.28, 0.00319992/step Wall: 7735.28, 0.00319992/step, 2.29007 hours remaining, 232.285156 MB of memory in use. ENERGY: 2423600 3955.8170 20445.8818 14412.7267 246.8396 -203839.8661 2891.4348 0.0000 0.0000 51839.4988 -110047.6674 297.9223 -161887.1662 -109673.5458 298.7336 152.0671 188.6838 760750.6231 36.0061 36.1572 PRESSURE: 2423800 250.247 19.6662 55.2689 19.6667 -347.146 25.2053 55.269 25.205 115.223 GPRESSURE: 2423800 218.919 37.324 79.7647 -69.2271 -212.18 43.7149 40.1059 72.6732 115.14 PRESSAVG: 2423800 88.4393 -32.7692 -28.8791 -32.7691 -71.852 24.7729 -28.8791 24.7729 16.4683 GPRESSAVG: 2423800 88.8323 -32.8601 -28.4734 -34.3099 -72.4999 22.1774 -29.4821 25.9281 16.5033 TIMING: 2423800 CPU: 7735.92, 0.00320269/step Wall: 7735.92, 0.00320269/step, 2.29188 hours remaining, 232.285156 MB of memory in use. ENERGY: 2423800 3951.1606 20475.2706 14472.4564 253.8371 -203486.9859 2395.7170 0.0000 0.0000 51972.5775 -109965.9666 298.6871 -161938.5441 -109599.7506 298.4288 6.1080 40.6265 760167.2734 11.0185 10.9452 PRESSURE: 2424000 67.2344 -82.728 -21.4166 -82.7274 238.223 123.82 -21.4169 123.819 200.952 GPRESSURE: 2424000 94.0135 -61.6736 -25.1339 40.7182 313.608 84.4509 8.87048 -42.1116 180.764 PRESSAVG: 2424000 54.5084 -48.0702 23.1544 -48.0701 -84.6932 17.3102 23.1544 17.3101 2.99634 GPRESSAVG: 2424000 55.5348 -45.7163 22.2564 -47.7027 -84.3264 20.0912 22.5093 15.5038 1.43273 TIMING: 2424000 CPU: 7736.56, 0.0031951/step Wall: 7736.56, 0.0031951/step, 2.28627 hours remaining, 232.285156 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: 2424000 3943.9226 20528.6919 14502.3364 245.4805 -203591.9269 2663.3692 0.0000 0.0000 51810.4352 -109897.6911 297.7553 -161708.1263 -109539.4532 298.2462 168.8029 196.1286 761012.2321 -9.0628 -9.1196 PRESSURE: 2424200 99.4765 46.4855 147.176 46.4858 -250.028 83.6291 147.177 83.6302 -391.062 GPRESSURE: 2424200 183.562 -70.9898 201.494 79.3013 -275.016 128.183 125.561 184.055 -355.193 PRESSAVG: 2424200 11.4874 -48.8736 26.6131 -48.8736 -7.41152 49.2941 26.6131 49.2942 -4.25404 GPRESSAVG: 2424200 10.0935 -51.3534 25.8644 -48.1131 -7.76148 48.8159 25.0213 50.3193 -2.05606 TIMING: 2424200 CPU: 7737.2, 0.00320498/step Wall: 7737.2, 0.00320498/step, 2.29316 hours remaining, 232.285156 MB of memory in use. ENERGY: 2424200 3997.1089 20577.6243 14415.5213 258.9884 -203656.0314 2530.8538 0.0000 0.0000 52246.1412 -109629.7935 300.2593 -161875.9347 -109269.6123 298.6185 -180.5378 -148.8823 761005.1125 -0.0594 0.0920 LDB: ============= START OF LOAD BALANCING ============== 7749.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7749.63 LDB: =============== DONE WITH MIGRATION ================ 7749.63 LDB: ============= START OF LOAD BALANCING ============== 7749.95 LDB: Largest compute 7033 load 0.036411 is 18.6% of average load 0.195430 LDB: Average compute 0.004417 is 2.3% of average load 0.195430 LDB: TIME 7749.95 LOAD: AVG 0.19543 MAX 0.211176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.367 MB LDB: TIME 7749.95 LOAD: AVG 0.19543 MAX 0.211176 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.461 MB LDB: TIME 7749.95 LOAD: AVG 0.19543 MAX 0.211176 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.461 MB LDB: ============== END OF LOAD BALANCING =============== 7749.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7749.96 PRESSURE: 2424400 238.951 -135.964 -132.142 -135.964 -167.243 342.22 -132.142 342.22 -109.056 GPRESSURE: 2424400 163.753 -212.104 -117.219 -93.4047 -87.4182 325.2 -107.441 268.874 -43.3266 PRESSAVG: 2424400 75.4 -73.0305 36.032 -73.0305 -64.0339 43.7615 36.032 43.7615 3.44403 GPRESSAVG: 2424400 75.865 -72.4989 38.2526 -74.7412 -64.6638 40.8402 39.4148 44.413 3.18083 TIMING: 2424400 CPU: 7737.85, 0.00326386/step Wall: 7737.85, 0.00326386/step, 2.33511 hours remaining, 235.878906 MB of memory in use. ENERGY: 2424400 4057.0552 20564.6026 14481.3543 249.3370 -203482.2881 2503.4919 0.0000 0.0000 51996.3793 -109630.0678 298.8239 -161626.4471 -109271.0583 299.0039 -12.4492 11.0028 761931.6958 4.9367 4.7940 PRESSURE: 2424600 56.2011 -174.297 -68.283 -174.296 -62.1963 -148.179 -68.284 -148.179 21.9021 GPRESSURE: 2424600 104.92 -103.994 -55.8487 -160.566 -36.9442 -99.9266 -94.7 -52.2415 38.2349 PRESSAVG: 2424600 70.1962 -51.5527 53.8795 -51.5526 -65.0387 -41.1428 53.8795 -41.1428 0.376241 GPRESSAVG: 2424600 69.7602 -53.119 52.6561 -48.2343 -64.9627 -37.7774 51.5863 -41.9477 0.496667 TIMING: 2424600 CPU: 7738.5, 0.00322163/step Wall: 7738.5, 0.00322163/step, 2.30472 hours remaining, 235.949219 MB of memory in use. ENERGY: 2424600 3942.7696 20397.2942 14482.5019 247.8575 -203476.0785 2497.3439 0.0000 0.0000 52193.4283 -109714.8831 299.9563 -161908.3114 -109341.4211 299.0307 5.3023 35.4034 761248.5932 1.8446 1.7647 PRESSURE: 2424800 -138.945 157.075 124.452 157.074 -106.526 -157.154 124.451 -157.155 54.6947 GPRESSURE: 2424800 -102.9 120.707 111.532 97.6961 -28.7063 -262.827 210.348 -41.9506 12.1692 PRESSAVG: 2424800 65.351 -33.6641 23.4342 -33.664 -5.55074 26.4905 23.4342 26.4905 7.0913 GPRESSAVG: 2424800 64.8898 -34.5896 25.144 -35.7963 -4.64278 24.4856 23.2166 29.0327 6.97954 TIMING: 2424800 CPU: 7739.14, 0.00321153/step Wall: 7739.14, 0.00321153/step, 2.29731 hours remaining, 235.949219 MB of memory in use. ENERGY: 2424800 3979.6933 20426.1907 14539.8786 263.3601 -203835.2267 2777.8341 0.0000 0.0000 52072.8930 -109775.3769 299.2636 -161848.2700 -109401.3380 298.6879 -63.5924 -39.8123 759733.0047 22.2972 22.4089 PRESSURE: 2425000 22.564 2.87283 -161.875 2.87304 -104.952 210.634 -161.875 210.633 -317.652 GPRESSURE: 2425000 123.556 -79.3615 -89.3952 63.9193 -191.915 262.51 -254.145 203.091 -255.805 PRESSAVG: 2425000 34.4709 -30.0903 15.0227 -30.0903 -96.9009 81.3559 15.0227 81.3559 14.4392 GPRESSAVG: 2425000 35.5029 -29.3758 13.7937 -28.2463 -97.3706 82.6183 16.4022 80.384 13.8788 TIMING: 2425000 CPU: 7739.79, 0.00324206/step Wall: 7739.79, 0.00324206/step, 2.31897 hours remaining, 235.949219 MB of memory in use. ENERGY: 2425000 4044.6935 20626.2489 14363.1035 260.9787 -203022.3179 2256.8260 0.0000 0.0000 51677.1737 -109793.2936 296.9894 -161470.4674 -109439.2496 298.7575 -133.3465 -108.0546 760234.2625 -15.9970 -15.9963 PRESSURE: 2425200 -328.641 80.5924 -18.9233 80.5923 -358.893 -129.908 -18.9242 -129.908 -165.493 GPRESSURE: 2425200 -263.624 42.5541 12.2396 77.1494 -412.295 -94.0223 46.1116 -117.227 -105.089 PRESSAVG: 2425200 35.5352 -42.6046 22.9377 -42.6045 -45.218 69.6852 22.9378 69.6853 11.4678 GPRESSAVG: 2425200 36.4104 -41.046 23.5736 -43.1886 -46.4022 68.4976 21.2776 69.8229 11.7305 TIMING: 2425200 CPU: 7740.44, 0.00323554/step Wall: 7740.44, 0.00323554/step, 2.31413 hours remaining, 235.949219 MB of memory in use. ENERGY: 2425200 4051.5569 20605.2428 14537.3476 236.8930 -203652.3500 2256.0065 0.0000 0.0000 52192.3477 -109772.9554 299.9501 -161965.3031 -109410.8267 298.9364 -284.3425 -260.3363 760159.3208 0.5950 0.5796 PRESSURE: 2425400 -88.4837 -80.2165 -156.646 -80.2169 -29.2958 152.888 -156.646 152.888 -157.437 GPRESSURE: 2425400 -2.90137 -106.206 -144.543 -67.793 31.0688 165.431 -105.016 261.343 -208.65 PRESSAVG: 2425400 78.654 -39.7742 7.92065 -39.7743 -48.3265 13.6284 7.92066 13.6285 0.65343 GPRESSAVG: 2425400 78.0603 -41.6497 7.72751 -39.0354 -47.7377 13.6772 8.40245 13.666 0.738916 TIMING: 2425400 CPU: 7741.07, 0.00319048/step Wall: 7741.07, 0.00319048/step, 2.28172 hours remaining, 235.949219 MB of memory in use. ENERGY: 2425400 4033.6823 20539.5662 14426.3812 224.6493 -203384.7650 2486.7945 0.0000 0.0000 52056.7436 -109616.9480 299.1708 -161673.6916 -109260.3943 299.3175 -91.7387 -60.1610 759869.2599 10.3270 10.3539 PRESSURE: 2425600 220.439 102.819 -188.972 102.819 -7.20108 -35.147 -188.973 -35.1478 189.998 GPRESSURE: 2425600 228.993 126.67 -101.34 81.02 -46.2785 3.82233 -188.496 -188.965 315.167 PRESSAVG: 2425600 64.1025 -21.8726 -20.9094 -21.8726 -55.9047 -39.0036 -20.9094 -39.0036 -4.45825 GPRESSAVG: 2425600 64.3988 -21.1012 -22.2613 -24.1672 -55.4553 -39.3832 -18.5915 -37.2019 -4.73674 TIMING: 2425600 CPU: 7741.71, 0.00319397/step Wall: 7741.71, 0.00319397/step, 2.28405 hours remaining, 235.949219 MB of memory in use. ENERGY: 2425600 4046.3238 20647.9528 14427.3715 229.3488 -203664.5976 2746.8772 0.0000 0.0000 52090.0560 -109476.6673 299.3623 -161566.7233 -109120.7116 299.5682 134.4119 165.9605 759832.2362 1.2465 1.4022 PRESSURE: 2425800 76.7189 -111.83 -10.941 -111.829 267.218 56.8315 -10.9417 56.8312 -158.508 GPRESSURE: 2425800 9.24734 -62.165 -2.62107 9.47924 360.115 155.857 -203.966 -78.4614 -105.617 PRESSAVG: 2425800 -13.7678 -21.7717 10.6331 -21.7717 -7.7191 -47.4231 10.633 -47.423 -23.0739 GPRESSAVG: 2425800 -15.0427 -19.8646 11.6509 -20.0985 -7.68493 -45.5387 8.46682 -49.4307 -22.0653 TIMING: 2425800 CPU: 7742.35, 0.00318751/step Wall: 7742.35, 0.00318751/step, 2.27925 hours remaining, 235.949219 MB of memory in use. ENERGY: 2425800 3983.5348 20623.5121 14431.6064 215.7232 -203829.2747 2828.9251 0.0000 0.0000 52065.8765 -109680.0965 299.2233 -161745.9731 -109309.7101 299.4892 61.8095 87.9150 760337.1131 -14.8536 -14.9310 PRESSURE: 2426000 -27.5532 13.3469 129.427 13.3464 -365.702 -87.105 129.427 -87.1057 -385.118 GPRESSURE: 2426000 15.4416 -100.014 187.805 96.7671 -269.626 -69.1512 142.961 -141.81 -440.227 PRESSAVG: 2426000 32.9359 15.3622 -20.6787 15.3622 -9.59908 -16.3535 -20.6787 -16.3535 33.4346 GPRESSAVG: 2426000 32.7228 14.5071 -20.1442 14.8532 -8.9472 -17.8505 -20.1101 -15.8223 33.1935 TIMING: 2426000 CPU: 7743, 0.00323392/step Wall: 7743, 0.00323392/step, 2.31225 hours remaining, 235.949219 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: 2426000 4046.1211 20396.2220 14446.4411 233.2020 -203249.3872 2432.4315 0.0000 0.0000 51893.4649 -109801.5045 298.2325 -161694.9694 -109434.7106 299.0668 -259.4578 -231.4704 761829.6143 18.9238 18.9897 PRESSURE: 2426200 117.839 215.714 115.967 215.713 45.2113 -258.604 115.967 -258.604 -5.02176 GPRESSURE: 2426200 178.09 217.23 128.746 103.318 16.0205 -237.378 -41.2475 -236.968 50.3671 PRESSAVG: 2426200 -28.1356 -51.3463 -4.95983 -51.3463 -11.8274 -35.9196 -4.95987 -35.9196 3.585 GPRESSAVG: 2426200 -26.3996 -51.1129 -5.70577 -51.8833 -12.1253 -36.4889 -6.43276 -36.431 2.33257 TIMING: 2426200 CPU: 7743.63, 0.00318026/step Wall: 7743.63, 0.00318026/step, 2.27371 hours remaining, 235.949219 MB of memory in use. ENERGY: 2426200 3935.5106 20474.2130 14391.1056 253.1213 -203214.3199 2513.5016 0.0000 0.0000 51895.4608 -109751.4069 298.2439 -161646.8677 -109391.5050 298.4901 52.6762 81.4925 761754.2897 -12.1260 -12.0641 PRESSURE: 2426400 -99.6818 19.5494 230.513 19.549 -112.734 140.254 230.513 140.254 -90.1315 GPRESSURE: 2426400 -17.0309 -25.1065 198.515 -34.2574 -131.863 89.0481 156.908 158.426 -63.643 PRESSAVG: 2426400 17.0458 -22.0068 -29.8365 -22.0068 -11.5494 -74.023 -29.8364 -74.023 -17.5815 GPRESSAVG: 2426400 15.8324 -21.4712 -30.3023 -19.9081 -12.4004 -73.7749 -29.6606 -73.0506 -15.723 TIMING: 2426400 CPU: 7744.27, 0.00319074/step Wall: 7744.27, 0.00319074/step, 2.28103 hours remaining, 235.949219 MB of memory in use. ENERGY: 2426400 4006.8597 20441.4687 14443.5733 244.8026 -203108.6330 2290.6574 0.0000 0.0000 51975.1313 -109706.1401 298.7018 -161681.2714 -109341.7935 298.5764 -100.8490 -70.8455 762033.7034 -4.0284 -4.0970 PRESSURE: 2426600 254.695 27.3623 95.0606 27.3625 -75.0237 122.726 95.0618 122.726 -575.361 GPRESSURE: 2426600 272.752 -27.3983 141.171 49.8298 6.93576 90.474 110.853 127.853 -591.994 PRESSAVG: 2426600 8.67269 12.8692 27.5719 12.8692 -26.3861 -6.593 27.5719 -6.59292 14.9779 GPRESSAVG: 2426600 8.19082 11.9257 28.0874 11.6941 -25.2723 -6.82522 28.0023 -7.25937 13.8086 TIMING: 2426600 CPU: 7744.91, 0.00320719/step Wall: 7744.91, 0.00320719/step, 2.29261 hours remaining, 235.949219 MB of memory in use. ENERGY: 2426600 3927.0137 20525.6496 14509.7963 257.3856 -203497.6812 2346.1209 0.0000 0.0000 52154.4600 -109777.2550 299.7324 -161931.7150 -109415.7210 298.7688 -131.8966 -104.1019 760661.8622 -0.9118 -1.0910 PRESSURE: 2426800 179.147 -198.319 136.209 -198.318 84.0213 -11.5006 136.209 -11.5013 -548.898 GPRESSURE: 2426800 87.4138 -165.179 204.486 -187.01 186.835 -39.6579 162.745 70.517 -472.532 PRESSAVG: 2426800 97.764 -17.9691 -29.8511 -17.9691 -63.3201 -17.2335 -29.8512 -17.2336 -20.1247 GPRESSAVG: 2426800 97.2843 -18.8618 -29.7283 -17.1021 -62.5022 -17.4909 -29.5554 -16.5923 -20.6246 TIMING: 2426800 CPU: 7745.55, 0.00316724/step Wall: 7745.55, 0.00316724/step, 2.26387 hours remaining, 235.949219 MB of memory in use. ENERGY: 2426800 4050.0108 20507.4282 14494.0866 242.5513 -203689.2121 2666.6636 0.0000 0.0000 52014.0014 -109714.4701 298.9252 -161728.4716 -109354.5766 298.8021 -95.2432 -66.0946 760754.0373 4.7731 4.7191 PRESSURE: 2427000 224.333 21.6714 -98.4659 21.6712 -160.468 52.2584 -98.4667 52.2593 61.35 GPRESSURE: 2427000 241.184 5.04519 -113.108 28.4158 -31.207 -39.2811 -172.265 2.29445 16.1355 PRESSAVG: 2427000 70.4669 36.3167 -6.23598 36.3167 -46.7486 -12.887 -6.23593 -12.8869 -5.72249 GPRESSAVG: 2427000 70.1204 37.3629 -7.69566 35.6162 -46.7253 -14.3517 -2.80756 -12.7919 -4.7608 TIMING: 2427000 CPU: 7746.19, 0.00319589/step Wall: 7746.19, 0.00319589/step, 2.28418 hours remaining, 235.949219 MB of memory in use. ENERGY: 2427000 4044.3750 20487.2830 14432.8933 257.8338 -203554.9120 2515.0285 0.0000 0.0000 52091.8863 -109725.6122 299.3728 -161817.4985 -109368.7363 298.5638 41.7382 75.3709 758600.4392 5.9986 6.2115 PRESSURE: 2427200 -136.902 236.079 1.69358 236.079 13.3905 -90.9903 1.6934 -90.9907 -400.304 GPRESSURE: 2427200 -158.71 54.1972 -26.0289 127.542 11.8991 -95.7045 -55.6723 -149.792 -295.346 PRESSAVG: 2427200 6.43263 40.5028 59.7217 40.5028 1.25665 -48.5066 59.7217 -48.5065 -11.2835 GPRESSAVG: 2427200 8.74387 37.5477 61.0159 40.7827 0.404089 -47.772 56.398 -49.5573 -11.4596 TIMING: 2427200 CPU: 7746.83, 0.00322243/step Wall: 7746.83, 0.00322243/step, 2.30296 hours remaining, 235.949219 MB of memory in use. ENERGY: 2427200 3965.9036 20608.2345 14430.7930 243.8136 -203230.1696 2247.6326 0.0000 0.0000 52014.4661 -109719.3263 298.9279 -161733.7924 -109356.4200 298.9990 -174.6052 -147.3856 760731.1955 -1.1981 -0.7705 PRESSURE: 2427400 8.3062 -339.085 75.0351 -339.086 -192.3 100.172 75.0348 100.172 166.503 GPRESSURE: 2427400 50.7071 -305.151 25.4406 -267.487 -221.068 53.2535 115.326 131.228 211.403 PRESSAVG: 2427400 26.3008 -9.20928 -31.9665 -9.20928 -46.2775 -24.1445 -31.9666 -24.1445 -11.1942 GPRESSAVG: 2427400 26.8991 -5.85233 -33.7657 -9.99141 -47.1282 -23.1133 -30.7312 -22.8496 -11.6982 TIMING: 2427400 CPU: 7747.47, 0.00318782/step Wall: 7747.47, 0.00318782/step, 2.27805 hours remaining, 235.949219 MB of memory in use. ENERGY: 2427400 3932.4990 20521.1932 14486.4181 238.4985 -203357.7194 2516.2858 0.0000 0.0000 51802.5235 -109860.3013 297.7098 -161662.8248 -109494.9257 299.3102 -5.8302 13.6806 760871.8252 -10.3903 -10.6424 PRESSURE: 2427600 295.764 86.2987 -96.9409 86.2992 216.385 35.7429 -96.94 35.7442 175.017 GPRESSURE: 2427600 363.029 232.728 -1.38517 75.6621 180.594 -11.0146 -43.0979 29.6631 229.645 PRESSAVG: 2427600 102.152 -10.7235 -3.25812 -10.7235 -100.38 12.2012 -3.25815 12.2012 -0.435904 GPRESSAVG: 2427600 101.656 -11.2506 -0.955745 -7.97888 -99.6057 13.2133 -3.61405 11.6444 -0.248637 TIMING: 2427600 CPU: 7748.11, 0.00320201/step Wall: 7748.11, 0.00320201/step, 2.28801 hours remaining, 235.949219 MB of memory in use. ENERGY: 2427600 3890.9796 20341.7067 14426.8171 249.4823 -203808.7036 2919.3190 0.0000 0.0000 52134.6365 -109845.7624 299.6185 -161980.3989 -109475.6613 298.1905 229.0551 257.7560 760306.0626 0.4455 0.6004 PRESSURE: 2427800 90.8431 -158.575 -57.3997 -158.576 -207.339 -159.002 -57.3993 -159.003 -169.043 GPRESSURE: 2427800 2.55576 -89.5907 -58.5061 -108.881 -166.018 -172.49 -62.1284 -304.771 -57.1551 PRESSAVG: 2427800 27.7701 -48.3263 9.93341 -48.3262 -24.1884 -20.6189 9.93342 -20.6189 -3.70089 GPRESSAVG: 2427800 27.0816 -46.9822 7.68487 -49.0138 -23.9866 -21.8391 9.55052 -21.7726 -3.79068 TIMING: 2427800 CPU: 7748.75, 0.00320351/step Wall: 7748.75, 0.00320351/step, 2.28891 hours remaining, 235.949219 MB of memory in use. ENERGY: 2427800 3951.9269 20453.2556 14472.1375 246.7922 -203364.6402 2502.0546 0.0000 0.0000 51947.4378 -109791.0357 298.5426 -161738.4735 -109425.6340 298.1792 -95.1796 -73.5392 759535.6535 -0.0397 -0.2319 PRESSURE: 2428000 -146.03 100.897 240.306 100.897 -181.852 129.55 240.307 129.552 -436.466 GPRESSURE: 2428000 -134.095 132.358 217.433 89.595 -90.4204 108.956 257.441 101.121 -430.923 PRESSAVG: 2428000 22.509 -18.7835 -13.4548 -18.7836 -22.9002 43.208 -13.4548 43.208 -14.6731 GPRESSAVG: 2428000 22.6451 -19.7781 -14.0834 -19.303 -23.4827 43.5833 -11.3956 42.2177 -14.109 TIMING: 2428000 CPU: 7749.39, 0.00321836/step Wall: 7749.39, 0.00321836/step, 2.29934 hours remaining, 235.949219 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: 2428000 4046.5741 20549.3707 14485.6473 255.0486 -203064.6893 2375.4983 0.0000 0.0000 51688.9345 -109663.6157 297.0570 -161352.5503 -109308.0592 298.6088 -254.7828 -218.4796 759374.1355 -5.0214 -4.9822 PRESSURE: 2428200 -88.2989 -186.611 -48.1219 -186.611 25.5853 13.4115 -48.1225 13.4109 -275.081 GPRESSURE: 2428200 -93.5195 -103.341 -173.357 -111.456 76.6615 8.45496 -95.2027 -33.7591 -212.036 PRESSAVG: 2428200 15.3092 -26.1091 -44.121 -26.1091 13.9296 2.62051 -44.121 2.62048 -2.96303 GPRESSAVG: 2428200 14.9429 -25.8457 -42.3657 -26.1841 14.9093 4.29406 -44.3446 4.41641 -3.26319 TIMING: 2428200 CPU: 7750.04, 0.00323994/step Wall: 7750.04, 0.00323994/step, 2.31458 hours remaining, 235.949219 MB of memory in use. ENERGY: 2428200 3919.4984 20499.5326 14503.3489 250.3467 -202991.5483 2262.1659 0.0000 0.0000 51827.2773 -109729.3785 297.8521 -161556.6558 -109373.0704 298.4170 -112.5982 -76.2979 760291.9250 8.7586 8.8630 LDB: ============= START OF LOAD BALANCING ============== 7762.47 LDB: ============== END OF LOAD BALANCING =============== 7762.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7762.47 LDB: ============= START OF LOAD BALANCING ============== 7762.79 LDB: Largest compute 7033 load 0.037248 is 19.1% of average load 0.195482 LDB: Average compute 0.004404 is 2.3% of average load 0.195482 LDB: TIME 7762.79 LOAD: AVG 0.195482 MAX 0.211427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 7762.79 LOAD: AVG 0.195482 MAX 0.211427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 7762.79 LOAD: AVG 0.195482 MAX 0.211427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 7762.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7762.8 PRESSURE: 2428400 305.809 134.269 -129.327 134.27 139.015 -53.0748 -129.326 -53.0741 278.715 GPRESSURE: 2428400 312.638 52.3977 -127.707 134.193 270.656 -52.3643 -61.6338 -58.5968 215.321 PRESSAVG: 2428400 -20.1323 -11.5369 -27.2266 -11.5369 9.22854 -30.2659 -27.2265 -30.2659 -1.23378 GPRESSAVG: 2428400 -19.4579 -11.8328 -27.2727 -13.2924 8.47218 -31.2424 -30.6286 -29.8973 -0.608287 TIMING: 2428400 CPU: 7750.69, 0.00326034/step Wall: 7750.69, 0.00326034/step, 2.32897 hours remaining, 233.304688 MB of memory in use. ENERGY: 2428400 3980.0977 20557.3664 14464.8944 255.2545 -203439.4201 2636.3901 0.0000 0.0000 51951.4227 -109593.9943 298.5655 -161545.4170 -109231.8900 298.7360 241.1796 266.2052 759811.5211 -4.0458 -3.8647 PRESSURE: 2428600 21.1136 -101.977 -189.116 -101.978 -55.15 -38.2737 -189.116 -38.2727 47.5789 GPRESSURE: 2428600 15.2697 -70.9524 -245.15 -172.507 -10.2377 -90.3059 -112.74 26.6171 75.5051 PRESSAVG: 2428600 -15.8014 20.3926 -56.7136 20.3926 -14.1131 43.375 -56.7136 43.375 -3.91815 GPRESSAVG: 2428600 -17.3416 19.7718 -57.1073 21.5567 -12.7214 42.9035 -54.3015 43.967 -4.32813 TIMING: 2428600 CPU: 7751.33, 0.00319916/step Wall: 7751.33, 0.00319916/step, 2.28509 hours remaining, 233.304688 MB of memory in use. ENERGY: 2428600 3918.5951 20543.9278 14513.7392 249.1865 -203469.1647 2643.6201 0.0000 0.0000 52189.5123 -109410.5837 299.9338 -161600.0960 -109045.3424 299.2198 4.5142 26.8457 760290.2438 -11.2775 -11.4637 PRESSURE: 2428800 -96.3261 -85.2216 -9.58962 -85.2219 21.5721 -248.38 -9.59027 -248.381 287.923 GPRESSURE: 2428800 -40.0274 -55.0279 100.442 -50.4819 48.8792 -194.005 -55.126 -93.5174 276.345 PRESSAVG: 2428800 -19.4366 -16.8137 -37.4138 -16.8138 30.5859 41.5911 -37.4138 41.5911 20.8158 GPRESSAVG: 2428800 -16.7637 -15.3887 -37.0437 -16.9409 28.5048 41.4534 -36.3031 41.5338 19.9153 TIMING: 2428800 CPU: 7751.98, 0.00322622/step Wall: 7751.98, 0.00322622/step, 2.30424 hours remaining, 233.304688 MB of memory in use. ENERGY: 2428800 3935.2861 20546.5384 14503.8613 251.3044 -203326.2047 2503.3766 0.0000 0.0000 52153.6820 -109432.1558 299.7279 -161585.8378 -109072.2754 298.9384 71.0562 95.0657 761398.1191 10.6550 10.5521 PRESSURE: 2429000 355.903 -47.0085 162.526 -47.0088 219.412 -112.324 162.526 -112.321 119.419 GPRESSURE: 2429000 438.546 -5.64229 206.819 -42.2391 209.745 -196.157 105.287 -132.117 142.022 PRESSAVG: 2429000 26.3946 3.05263 -0.387873 3.05264 -25.257 36.9025 -0.387835 36.9026 20.8136 GPRESSAVG: 2429000 24.085 2.3358 1.4066 2.59908 -24.1669 36.7431 -2.82157 36.1722 21.7284 TIMING: 2429000 CPU: 7752.62, 0.00319471/step Wall: 7752.62, 0.00319471/step, 2.28156 hours remaining, 233.304688 MB of memory in use. ENERGY: 2429000 3992.0361 20449.0013 14482.2674 247.7738 -203530.9342 2934.8654 0.0000 0.0000 52052.1212 -109372.8688 299.1443 -161424.9900 -109019.5383 299.4908 231.5780 263.4378 760473.6071 7.3171 7.2155 PRESSURE: 2429200 -135.834 -209.874 -70.0303 -209.875 -284.799 -4.20331 -70.0299 -4.20376 -250.767 GPRESSURE: 2429200 -147.734 -171.842 -30.6008 -330.264 -202.167 0.388741 -57.9703 31.4127 -237.443 PRESSAVG: 2429200 -32.4789 -14.1342 10.9334 -14.1342 68.9209 -14.8994 10.9333 -14.8994 4.58464 GPRESSAVG: 2429200 -31.8681 -15.6329 9.8317 -13.3781 67.4795 -14.5322 9.35608 -14.656 4.86343 TIMING: 2429200 CPU: 7753.26, 0.00321426/step Wall: 7753.26, 0.00321426/step, 2.29534 hours remaining, 233.304688 MB of memory in use. ENERGY: 2429200 4008.8960 20391.6092 14494.4389 237.8059 -203054.8104 2290.1183 0.0000 0.0000 52250.1865 -109381.7557 300.2825 -161631.9421 -109019.6529 299.4732 -223.8000 -195.7812 761842.9142 13.6755 13.4916 PRESSURE: 2429400 -220.46 16.269 -120.905 16.2697 -386.12 -194.901 -120.905 -194.901 19.0988 GPRESSURE: 2429400 -122.827 59.7161 -108.044 69.2158 -350.019 -62.2313 -31.2678 -171.005 -52.8686 PRESSAVG: 2429400 -17.4366 -37.8054 63.6326 -37.8054 41.614 9.01168 63.6327 9.01166 13.0182 GPRESSAVG: 2429400 -17.9654 -35.7315 62.6027 -38.6114 43.4196 10.4311 65.4547 8.60892 11.6818 TIMING: 2429400 CPU: 7753.9, 0.0031892/step Wall: 7753.9, 0.0031892/step, 2.27726 hours remaining, 233.304688 MB of memory in use. ENERGY: 2429400 3975.4222 20516.3330 14515.4766 250.9689 -202977.0463 2386.9274 0.0000 0.0000 51935.2683 -109396.6500 298.4727 -161331.9182 -109033.3969 299.7139 -195.8271 -175.2384 762303.1009 12.3985 12.3787 PRESSURE: 2429600 385.255 64.5684 -94.8838 64.5682 -122.468 91.0627 -94.8838 91.0612 57.2865 GPRESSURE: 2429600 327.365 -126.271 -173.416 117.736 24.7842 95.6463 -13.3767 102.696 40.1808 PRESSAVG: 2429600 34.9291 -18.5387 -17.68 -18.5387 -28.1844 9.58582 -17.68 9.58586 5.74017 GPRESSAVG: 2429600 34.696 -19.5559 -17.292 -17.207 -28.693 8.4465 -16.835 11.5667 5.95051 TIMING: 2429600 CPU: 7754.54, 0.00321977/step Wall: 7754.54, 0.00321977/step, 2.29891 hours remaining, 233.304688 MB of memory in use. ENERGY: 2429600 3937.6079 20487.7103 14570.7127 238.0044 -203173.6575 2421.5533 0.0000 0.0000 52159.1689 -109358.8999 299.7595 -161518.0689 -108994.4534 298.9480 106.6912 130.7765 761228.0832 4.1616 3.9845 PRESSURE: 2429800 78.2683 -227.407 172.899 -227.408 298.904 256.808 172.899 256.808 -240.831 GPRESSURE: 2429800 222.524 -192.878 179.107 -339.918 282.318 221.053 43.4735 214.574 -277.215 PRESSAVG: 2429800 50.6851 -30.4533 -25.8275 -30.4533 -60.1134 -39.8304 -25.8275 -39.8304 -6.60577 GPRESSAVG: 2429800 50.356 -30.1908 -24.8656 -32.0871 -60.225 -41.3177 -28.0204 -41.4657 -5.82334 TIMING: 2429800 CPU: 7755.18, 0.00318613/step Wall: 7755.18, 0.00318613/step, 2.27472 hours remaining, 233.304688 MB of memory in use. ENERGY: 2429800 4002.9722 20389.4261 14560.4256 224.6896 -203545.4567 2794.1400 0.0000 0.0000 52104.6981 -109469.1052 299.4464 -161573.8033 -109111.3013 299.2056 45.4472 75.8756 761647.4848 -5.3447 -5.2308 PRESSURE: 2430000 320.877 -102.124 -154.291 -102.124 -269.469 -63.2874 -154.29 -63.2881 42.4091 GPRESSURE: 2430000 351.038 -218.087 -85.2452 -26.5748 -197.152 -5.23504 -60.7691 28.5153 40.4887 PRESSAVG: 2430000 68.6589 -54.6315 -24.0854 -54.6315 -33.4006 -36.4771 -24.0854 -36.4771 13.6716 GPRESSAVG: 2430000 68.9904 -54.6681 -23.8215 -52.0105 -32.7229 -35.5225 -23.2599 -37.3343 12.4927 TIMING: 2430000 CPU: 7755.82, 0.00320651/step Wall: 7755.82, 0.00320651/step, 2.28909 hours remaining, 233.304688 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: 2430000 3943.5543 20568.0383 14561.8901 230.4524 -202942.7824 2381.9552 0.0000 0.0000 52019.2033 -109237.6886 298.9551 -161256.8920 -108882.2954 299.5650 31.2723 64.7918 760947.0130 16.3100 16.2534 PRESSURE: 2430200 -221.812 -60.5832 -159.741 -60.5835 37.8013 17.7523 -159.74 17.7532 236.69 GPRESSURE: 2430200 -153.094 -115.339 -128.752 -131.407 119.558 13.5485 -145.773 -15.9498 180.654 PRESSAVG: 2430200 43.4998 10.8645 -5.04988 10.8645 -17.2019 -12.467 -5.0499 -12.4669 0.871908 GPRESSAVG: 2430200 43.9491 10.2974 -7.50844 9.01101 -18.0297 -12.635 -3.06168 -11.1205 0.533367 TIMING: 2430200 CPU: 7756.46, 0.00319124/step Wall: 7756.46, 0.00319124/step, 2.27801 hours remaining, 233.304688 MB of memory in use. ENERGY: 2430200 4026.3166 20425.7053 14445.3807 257.4065 -202896.1818 2217.7116 0.0000 0.0000 52233.9097 -109289.7515 300.1890 -161523.6612 -108924.2552 299.4811 17.5599 49.0391 760275.0859 9.0566 8.8176 PRESSURE: 2430400 -47.4537 -38.2987 526.592 -38.2986 -259.617 -77.4402 526.593 -77.44 274.303 GPRESSURE: 2430400 -4.05567 -121.342 425.303 -77.5554 -223.021 -27.4806 528.201 -31.4749 283.054 PRESSAVG: 2430400 21.1175 -20.6859 12.1925 -20.6859 -6.66113 -5.50952 12.1924 -5.50953 9.20804 GPRESSAVG: 2430400 20.0229 -20.998 13.5271 -19.7402 -6.33699 -4.57117 11.4912 -4.92817 10.0384 TIMING: 2430400 CPU: 7757.1, 0.00318545/step Wall: 7757.1, 0.00318545/step, 2.2737 hours remaining, 233.304688 MB of memory in use. ENERGY: 2430400 4021.9478 20639.0121 14449.4816 250.3519 -202926.0271 2302.9682 0.0000 0.0000 52077.5792 -109184.6863 299.2906 -161262.2655 -108818.8906 299.7199 -10.9225 18.6592 760336.6101 7.8881 7.9081 PRESSURE: 2430600 357.546 0.958813 96.0243 0.959188 -5.27642 82.7174 96.0251 82.7173 185.672 GPRESSURE: 2430600 352.79 61.9439 124.624 -5.56751 122.77 145.848 -83.7655 -8.65959 161.213 PRESSAVG: 2430600 23.8537 -26.1391 26.4766 -26.1392 -11.5511 10.4462 26.4766 10.4462 -29.3197 GPRESSAVG: 2430600 23.3434 -24.903 27.3253 -26.9245 -12.1777 10.5304 26.2342 10.0441 -28.2741 TIMING: 2430600 CPU: 7757.73, 0.00318935/step Wall: 7757.73, 0.00318935/step, 2.27631 hours remaining, 233.304688 MB of memory in use. ENERGY: 2430600 4003.1694 20497.1399 14414.3341 208.6396 -203272.7990 2644.1684 0.0000 0.0000 52141.6344 -109363.7132 299.6587 -161505.3476 -109003.2228 299.9329 179.3138 212.2578 761503.0764 -5.6724 -5.7028 PRESSURE: 2430800 -11.8284 -88.8654 -216.285 -88.8647 -32.8634 -105.914 -216.286 -105.913 -114.598 GPRESSURE: 2430800 -39.7596 -38.1081 -126.564 -93.0273 -13.4452 -115.941 -228.797 0.975036 -19.5526 PRESSAVG: 2430800 6.87574 1.50576 60.639 1.50583 -34.4734 -3.4308 60.639 -3.43073 26.1717 GPRESSAVG: 2430800 7.71054 0.795526 59.4373 1.19574 -32.9276 -3.46571 61.326 -1.89689 24.1783 TIMING: 2430800 CPU: 7758.37, 0.00318128/step Wall: 7758.37, 0.00318128/step, 2.27037 hours remaining, 233.304688 MB of memory in use. ENERGY: 2430800 4031.0150 20534.3900 14464.3224 248.3110 -203712.7956 2728.2947 0.0000 0.0000 52460.8866 -109245.5758 301.4934 -161706.4624 -108895.5749 299.7197 -53.0966 -24.2525 760139.0878 -0.4753 -0.3463 PRESSURE: 2431000 -132.234 81.647 -53.9018 81.6474 -253.068 31.5073 -53.902 31.5051 -76.541 GPRESSURE: 2431000 -87.1095 145.348 -16.2958 52.9478 -209.052 -35.4864 -159.639 -58.3372 -72.1898 PRESSAVG: 2431000 26.6542 -13.066 1.80941 -13.0659 6.41642 -26.1193 1.80939 -26.1193 -25.6367 GPRESSAVG: 2431000 26.3919 -13.1908 2.07801 -12.3005 6.11261 -27.6832 2.39589 -28.7971 -25.4416 TIMING: 2431000 CPU: 7759, 0.00315775/step Wall: 7759, 0.00315775/step, 2.2534 hours remaining, 233.304688 MB of memory in use. ENERGY: 2431000 3918.4027 20585.1702 14538.3433 242.0842 -202510.4121 1831.4455 0.0000 0.0000 51935.7836 -109459.1827 298.4757 -161394.9663 -109097.2792 299.9327 -153.9478 -122.7839 760242.8461 2.4780 2.3543 PRESSURE: 2431200 -345.498 -202.501 62.9969 -202.5 -292.204 -182.152 62.9968 -182.151 -31.966 GPRESSURE: 2431200 -308.579 -290.234 57.0098 -171.907 -238.136 -71.5211 85.0908 -127.284 -53.4651 PRESSAVG: 2431200 10.4615 -57.8601 64.8283 -57.8602 7.42275 -118.205 64.8284 -118.205 13.0091 GPRESSAVG: 2431200 10.8754 -57.8661 65.9583 -58.319 7.68704 -116.36 63.3327 -117.075 12.4711 TIMING: 2431200 CPU: 7759.64, 0.00317076/step Wall: 7759.64, 0.00317076/step, 2.26251 hours remaining, 233.304688 MB of memory in use. ENERGY: 2431200 3974.9064 20475.8312 14466.7900 239.9965 -202913.7928 2084.8481 0.0000 0.0000 52180.4094 -109491.0112 299.8815 -161671.4206 -109122.2134 299.2831 -223.2226 -200.0601 761314.9378 10.2978 10.3445 PRESSURE: 2431400 -289.175 50.3889 -8.56741 50.3885 77.9984 242.125 -8.56765 242.125 -535.246 GPRESSURE: 2431400 -333.045 64.6562 -98.2508 84.4131 131.65 47.7678 110.007 259.713 -467.496 PRESSAVG: 2431400 -1.17133 -57.1479 27.2959 -57.1479 -13.626 14.2414 27.2959 14.2413 -5.1087 GPRESSAVG: 2431400 -1.98859 -57.8455 27.3866 -55.3151 -13.3613 12.5582 25.6333 14.3062 -4.3707 TIMING: 2431400 CPU: 7760.27, 0.00317681/step Wall: 7760.27, 0.00317681/step, 2.26665 hours remaining, 233.304688 MB of memory in use. ENERGY: 2431400 3972.3973 20398.3516 14554.7793 223.9731 -203414.4728 2594.3985 0.0000 0.0000 52236.0436 -109434.5295 300.2013 -161670.5730 -109076.2997 299.3379 -248.8077 -222.9639 759183.7644 -6.6353 -6.5735 PRESSURE: 2431600 134.709 150.106 -47.677 150.105 -94.2635 25.2658 -47.6777 25.2654 -16.3362 GPRESSURE: 2431600 108.044 11.6301 -37.1742 145.367 14.4209 56.4964 17.0047 129.486 -5.91519 PRESSAVG: 2431600 -30.2059 15.0439 -29.8521 15.0439 2.11422 -6.36617 -29.8521 -6.36615 0.613668 GPRESSAVG: 2431600 -30.1021 16.9902 -28.2361 12.4805 2.35539 -6.69789 -28.9281 -8.35277 0.553212 TIMING: 2431600 CPU: 7760.91, 0.00319613/step Wall: 7760.91, 0.00319613/step, 2.28026 hours remaining, 233.304688 MB of memory in use. ENERGY: 2431600 3981.0084 20377.7694 14484.3572 235.9164 -203326.4875 2389.9274 0.0000 0.0000 52125.7550 -109731.7536 299.5674 -161857.5086 -109360.1923 299.2811 8.0364 38.8501 758807.2103 -9.1593 -9.0645 PRESSURE: 2431800 -335.305 -40.45 280.536 -40.4503 -45.697 19.9305 280.536 19.9302 -126.333 GPRESSURE: 2431800 -177.824 -17.8632 251.209 -136.691 -165.284 -49.4294 179.926 71.1333 -72.1595 PRESSAVG: 2431800 38.7121 -48.1176 6.45333 -48.1176 1.96682 -0.204568 6.45332 -0.204607 -4.12633 GPRESSAVG: 2431800 40.0631 -48.1395 5.32935 -45.3174 1.26629 -0.461024 5.8754 2.7894 -4.7364 TIMING: 2431800 CPU: 7761.55, 0.0031864/step Wall: 7761.55, 0.00318641/step, 2.27315 hours remaining, 233.304688 MB of memory in use. ENERGY: 2431800 3994.6696 20413.0172 14482.1674 245.8188 -203040.2776 2050.3737 0.0000 0.0000 51951.1827 -109903.0482 298.5642 -161854.2309 -109522.2780 298.7684 -169.1118 -138.4227 759232.8547 12.1842 12.1977 PRESSURE: 2432000 213.031 -72.5299 47.178 -72.529 45.7187 -228.469 47.178 -228.47 198.981 GPRESSURE: 2432000 219.435 -85.1961 29.7699 -41.2913 88.9212 -126.015 -17.6064 -86.2777 229.906 PRESSAVG: 2432000 7.61857 -15.4927 4.14033 -15.4927 10.3401 17.9631 4.14026 17.9632 -4.98562 GPRESSAVG: 2432000 7.19222 -16.2377 4.51537 -16.3459 9.16581 16.4181 4.27353 18.48 -3.30295 TIMING: 2432000 CPU: 7762.18, 0.00317648/step Wall: 7762.18, 0.00317648/step, 2.26589 hours remaining, 233.304688 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: 2432000 3954.5831 20488.6456 14427.5349 233.4408 -203437.0166 2770.3546 0.0000 0.0000 51752.0757 -109810.3820 297.4199 -161562.4577 -109455.2922 298.3795 152.5766 179.4209 758651.2620 4.3243 4.3517 PRESSURE: 2432200 -165.874 50.6098 53.7128 50.61 -52.4439 54.8251 53.7125 54.8248 116.039 GPRESSURE: 2432200 -114.025 -45.7151 44.0414 96.3135 -61.0498 -75.0157 140.956 10.5503 168.922 PRESSAVG: 2432200 -29.4806 12.045 -29.1433 12.045 70.5416 40.4128 -29.1433 40.4128 10.3126 GPRESSAVG: 2432200 -30.7483 11.1747 -29.3716 10.325 72.1302 42.9013 -28.5867 38.7159 10.0097 TIMING: 2432200 CPU: 7762.81, 0.00314667/step Wall: 7762.81, 0.00314667/step, 2.24445 hours remaining, 233.304688 MB of memory in use. ENERGY: 2432200 3941.5119 20410.5159 14477.5151 245.9194 -203392.7753 2322.6366 0.0000 0.0000 52059.8196 -109934.8568 299.1885 -161994.6764 -109571.6123 298.7087 -34.0932 -2.0508 757959.1198 17.1245 17.1305 LDB: ============= START OF LOAD BALANCING ============== 7775.23 LDB: ============== END OF LOAD BALANCING =============== 7775.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7775.23 LDB: ============= START OF LOAD BALANCING ============== 7775.55 LDB: Largest compute 7069 load 0.034064 is 17.4% of average load 0.195454 LDB: Average compute 0.004402 is 2.3% of average load 0.195454 LDB: TIME 7775.55 LOAD: AVG 0.195454 MAX 0.211293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 7775.55 LOAD: AVG 0.195454 MAX 0.211293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.914 MB LDB: TIME 7775.55 LOAD: AVG 0.195454 MAX 0.211293 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.914 MB LDB: ============== END OF LOAD BALANCING =============== 7775.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7775.56 PRESSURE: 2432400 -175.052 -56.8971 -25.3675 -56.8969 -110.332 78.4907 -25.3667 78.4914 -361.85 GPRESSURE: 2432400 -84.2116 27.5999 -11.982 -72.5437 -84.1424 80.1034 -62.4866 -28.7978 -403.261 PRESSAVG: 2432400 -36.6512 9.21982 2.551 9.21988 -11.887 -2.00886 2.551 -2.00884 -18.5226 GPRESSAVG: 2432400 -36.0619 7.93963 2.65335 11.5155 -12.0786 -2.94697 3.56367 -3.93056 -18.602 TIMING: 2432400 CPU: 7763.45, 0.00319411/step Wall: 7763.45, 0.00319411/step, 2.27811 hours remaining, 232.898438 MB of memory in use. ENERGY: 2432400 3904.1639 20510.8713 14426.9251 241.1804 -203303.4149 2244.2802 0.0000 0.0000 51963.6176 -110012.3764 298.6356 -161975.9941 -109655.9551 298.2622 -215.7449 -190.5384 759462.4974 -22.3536 -22.2475 PRESSURE: 2432600 -375.179 -144.789 180.272 -144.79 -139.087 139.58 180.273 139.58 -271.815 GPRESSURE: 2432600 -389.647 -31.5217 211.717 -232.401 -126.934 155.971 141.205 17.4802 -176.257 PRESSAVG: 2432600 -100.394 -36.9301 -28.1834 -36.9301 22.6472 9.12793 -28.1834 9.12791 -19.0509 GPRESSAVG: 2432600 -99.5245 -35.8536 -27.2277 -37.5241 22.821 8.77337 -30.9537 9.99634 -20.075 TIMING: 2432600 CPU: 7764.08, 0.00312633/step Wall: 7764.08, 0.00312633/step, 2.22959 hours remaining, 233.097656 MB of memory in use. ENERGY: 2432600 4033.7023 20508.8480 14453.0984 234.1484 -203351.6061 2350.6106 0.0000 0.0000 51758.5387 -110012.6598 297.4570 -161771.1985 -109652.6065 297.8834 -262.0270 -230.9462 758797.1675 -32.2659 -32.2595 PRESSURE: 2432800 -345.475 234.468 88.3263 234.467 -452.36 320.271 88.3254 320.273 -386.762 GPRESSURE: 2432800 -341.57 169.354 74.7029 79.5091 -411.512 284.412 34.3749 192.276 -334.609 PRESSAVG: 2432800 -52.7791 -50.5193 -39.2919 -50.5194 42.5322 -25.6036 -39.2919 -25.6036 1.0716 GPRESSAVG: 2432800 -53.2505 -48.9047 -40.2028 -51.8891 42.1859 -25.4201 -36.0567 -24.9589 1.66985 TIMING: 2432800 CPU: 7764.71, 0.00315756/step Wall: 7764.71, 0.00315756/step, 2.25169 hours remaining, 233.097656 MB of memory in use. ENERGY: 2432800 3996.4107 20422.7826 14494.0122 236.9377 -203043.8641 2057.9704 0.0000 0.0000 52149.1435 -109686.6070 299.7018 -161835.7505 -109318.6034 298.7455 -394.8658 -362.5635 761056.2115 -3.0584 -3.1316 PRESSURE: 2433000 59.5252 -72.3992 -10.1261 -72.3997 -91.0931 6.60033 -10.1268 6.60101 -209.53 GPRESSURE: 2433000 -6.67382 -45.25 64.3751 -103.372 -8.37371 13.947 -39.6874 99.3671 -138.124 PRESSAVG: 2433000 -18.9517 -27.8651 -37.6071 -27.8651 41.6573 43.2345 -37.6071 43.2345 4.71567 GPRESSAVG: 2433000 -19.4426 -28.079 -37.7422 -26.3482 42.5004 43.7572 -36.19 42.6107 4.52086 TIMING: 2433000 CPU: 7765.34, 0.00315039/step Wall: 7765.34, 0.00315039/step, 2.2464 hours remaining, 233.097656 MB of memory in use. ENERGY: 2433000 3922.2038 20737.8681 14503.6595 238.6142 -202957.0196 2303.4140 0.0000 0.0000 51604.6594 -109646.6005 296.5727 -161251.2599 -109300.7693 298.9387 -80.3658 -51.0572 759759.2592 9.1404 9.1929 PRESSURE: 2433200 -307.148 33.4961 -3.05574 33.4967 -106.849 111.865 -3.05561 111.864 228.705 GPRESSURE: 2433200 -184.651 -8.71776 65.726 114.145 -133.372 31.572 161.047 226.72 242.613 PRESSAVG: 2433200 -8.04212 -38.1896 -32.851 -38.1897 14.9782 56.4877 -32.8511 56.4877 -5.82056 GPRESSAVG: 2433200 -7.29512 -39.32 -34.8958 -37.6672 13.37 58.1149 -34.4159 56.4417 -5.16825 TIMING: 2433200 CPU: 7765.97, 0.00315636/step Wall: 7765.97, 0.00315636/step, 2.25048 hours remaining, 233.097656 MB of memory in use. ENERGY: 2433200 3966.9278 20358.4802 14548.3537 250.7637 -202783.1229 2208.4763 0.0000 0.0000 52206.2992 -109243.8221 300.0303 -161450.1213 -108872.9301 299.3845 -61.7638 -25.1366 759690.2747 0.3719 0.3022 PRESSURE: 2433400 -108.506 11.906 -44.5451 11.9063 20.2655 166.88 -44.5446 166.881 -214.633 GPRESSURE: 2433400 -163.293 -7.73287 -58.3528 42.2817 62.9478 65.9122 13.9296 277.421 -110.948 PRESSAVG: 2433400 -54.2324 -30.6843 -5.72671 -30.6843 28.477 -20.1071 -5.72663 -20.1069 3.81951 GPRESSAVG: 2433400 -55.0739 -30.2655 -4.81135 -32.0995 28.2513 -20.9324 -4.06079 -18.0669 4.23689 TIMING: 2433400 CPU: 7766.6, 0.0031657/step Wall: 7766.6, 0.0031657/step, 2.25697 hours remaining, 233.097656 MB of memory in use. ENERGY: 2433400 3963.5904 20727.5678 14539.7913 250.0850 -203240.1139 2528.9950 0.0000 0.0000 52165.0611 -109065.0232 299.7933 -161230.0843 -108710.8832 300.6234 -100.9576 -70.4312 759690.5127 -7.3120 -7.5286 PRESSURE: 2433600 25.6215 -151.449 50.8903 -151.449 -312.306 135.088 50.8901 135.088 330.849 GPRESSURE: 2433600 23.5443 -61.9836 186.167 -190.876 -230.491 109.265 15.6548 -26.5487 359.318 PRESSAVG: 2433600 9.63635 -28.5377 48.6391 -28.5377 6.32862 31.7414 48.6391 31.7414 -7.32588 GPRESSAVG: 2433600 8.50282 -24.9476 50.8491 -28.1707 7.10625 32.2057 47.323 29.9805 -6.70788 TIMING: 2433600 CPU: 7767.24, 0.00316518/step Wall: 7767.24, 0.00316519/step, 2.25643 hours remaining, 233.097656 MB of memory in use. ENERGY: 2433600 4020.0019 20584.1740 14541.5903 237.0742 -203023.1501 2188.7891 0.0000 0.0000 52266.3524 -109185.1682 300.3754 -161451.5206 -108818.9820 300.0080 14.7215 50.7904 761315.4032 2.8797 2.9671 PRESSURE: 2433800 -240.947 -209.614 -117.347 -209.613 397.652 -86.0289 -117.346 -86.029 274.838 GPRESSURE: 2433800 -89.8591 -214.238 -162.598 -140.407 346.649 -32.4341 -46.1939 -110.698 242.232 PRESSAVG: 2433800 25.4986 1.90587 0.260805 1.90588 -44.5031 34.422 0.260783 34.422 2.63851 GPRESSAVG: 2433800 25.1479 -0.834328 -0.0917517 2.70484 -43.1556 34.2359 -0.474509 34.483 1.12862 TIMING: 2433800 CPU: 7767.87, 0.00315978/step Wall: 7767.87, 0.00315978/step, 2.2524 hours remaining, 233.097656 MB of memory in use. ENERGY: 2433800 4089.8619 20573.2636 14565.7973 253.9917 -203635.3223 2714.9536 0.0000 0.0000 52271.5123 -109165.9419 300.4051 -161437.4542 -108806.9452 299.7103 143.8475 166.3407 759539.0163 -5.4553 -5.6263 PRESSURE: 2434000 -245.565 31.0725 -19.8692 31.0721 71.1557 -62.2269 -19.8678 -62.2253 -12.5135 GPRESSURE: 2434000 -170.193 128.939 -92.3448 101.839 101.744 -41.1977 9.11875 -71.0082 -32.252 PRESSAVG: 2434000 -42.0562 -34.8598 6.08287 -34.8597 45.5535 0.358838 6.08288 0.358881 4.89598 GPRESSAVG: 2434000 -41.366 -34.0506 4.98953 -33.3656 44.9416 -0.149385 5.97539 0.889754 4.81804 TIMING: 2434000 CPU: 7768.5, 0.00315139/step Wall: 7768.5, 0.00315139/step, 2.24624 hours remaining, 233.097656 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: 2434000 4002.5764 20549.2626 14637.0176 237.4686 -203069.7243 2283.8893 0.0000 0.0000 52222.4879 -109137.0219 300.1234 -161359.5097 -108769.5635 300.2405 -62.3076 -33.5669 761049.5362 2.7978 2.7979 PRESSURE: 2434200 -158.669 207.238 147.466 207.238 160.204 -40.7309 147.465 -40.7312 -85.7682 GPRESSURE: 2434200 -73.7076 204.605 100.923 211.242 131.63 -25.5744 207.424 -122.003 -61.0028 PRESSAVG: 2434200 -62.6256 -46.4831 29.089 -46.4831 51.4779 3.90651 29.089 3.90648 23.9693 GPRESSAVG: 2434200 -61.013 -48.2732 30.6808 -48.9887 49.9965 4.55928 27.9814 2.80159 23.7642 TIMING: 2434200 CPU: 7769.13, 0.00316579/step Wall: 7769.13, 0.00316579/step, 2.25633 hours remaining, 233.097656 MB of memory in use. ENERGY: 2434200 4044.2176 20475.1217 14510.6643 257.0721 -203047.7488 2407.5350 0.0000 0.0000 52257.8090 -109095.3291 300.3263 -161353.1382 -108738.1938 299.9257 -28.0779 -1.0269 759550.0082 4.2739 4.2492 PRESSURE: 2434400 332.348 -106.055 46.7959 -106.055 334.723 -20.2116 46.7958 -20.2115 463.388 GPRESSURE: 2434400 329.494 -40.756 103.118 -38.9406 408.636 62.1059 14.2555 -31.5085 491.982 PRESSAVG: 2434400 -61.3259 -35.4347 -3.33939 -35.4347 72.2941 4.66298 -3.33941 4.66304 9.33842 GPRESSAVG: 2434400 -61.7646 -35.1387 -4.52902 -34.9502 72.8908 3.80887 -2.21039 5.4399 8.81751 TIMING: 2434400 CPU: 7769.76, 0.00315094/step Wall: 7769.76, 0.00315094/step, 2.24557 hours remaining, 233.097656 MB of memory in use. ENERGY: 2434400 3919.7837 20363.7119 14604.1545 232.8671 -202903.6161 2516.5003 0.0000 0.0000 51999.7675 -109266.8310 298.8434 -161266.5986 -108893.5995 299.7255 376.8198 410.0376 760501.4183 6.7689 6.6479 PRESSURE: 2434600 -97.3274 49.1137 -147.466 49.1133 262.509 31.62 -147.466 31.6194 217.382 GPRESSURE: 2434600 -28.762 82.4524 -207.672 93.3363 231.277 -64.9838 -157.482 35.4877 250.319 PRESSAVG: 2434600 -47.7686 -40.9212 -12.8086 -40.9212 -21.4873 18.3754 -12.8086 18.3755 18.9363 GPRESSAVG: 2434600 -47.7384 -40.5363 -14.3795 -41.9066 -21.6348 18.5211 -9.8423 18.4456 18.7461 TIMING: 2434600 CPU: 7770.39, 0.00315089/step Wall: 7770.39, 0.00315089/step, 2.24536 hours remaining, 233.097656 MB of memory in use. ENERGY: 2434600 3958.1687 20511.1748 14482.6022 247.1535 -202733.7541 2212.9194 0.0000 0.0000 51928.2473 -109393.4882 298.4324 -161321.7355 -109029.8380 299.4917 127.5212 150.9446 759691.7427 -16.7732 -16.8757 PRESSURE: 2434800 106.619 -97.1245 79.1032 -97.1241 -89.5363 41.1608 79.1039 41.1613 -113.335 GPRESSURE: 2434800 158.392 -161.15 138.528 -58.6931 -38.5119 122.384 60.967 8.27766 -110.065 PRESSAVG: 2434800 -37.896 -22.9516 9.02287 -22.9517 34.293 27.1204 9.02294 27.1204 -3.53354 GPRESSAVG: 2434800 -38.6223 -22.9419 11.1745 -23.155 33.3843 27.6354 6.60003 27.2216 -2.57418 TIMING: 2434800 CPU: 7771.02, 0.00316881/step Wall: 7771.02, 0.00316881/step, 2.25796 hours remaining, 233.097656 MB of memory in use. ENERGY: 2434800 3937.1419 20437.5423 14494.1677 231.4472 -203158.0334 2369.6370 0.0000 0.0000 52120.4911 -109567.6061 299.5372 -161688.0972 -109199.9037 299.0253 -32.0841 3.2719 761335.2749 -2.3788 -2.6041 PRESSURE: 2435000 52.3179 0.640166 204.326 0.640454 -73.0164 7.7119 204.326 7.71171 -307.612 GPRESSURE: 2435000 36.9168 -47.7474 215.522 -22.3094 -35.735 -53.823 117.67 98.4475 -225.24 PRESSAVG: 2435000 -24.0548 -41.3216 47.4647 -41.3217 22.1899 7.01775 47.4647 7.01774 2.11928 GPRESSAVG: 2435000 -24.4079 -38.8436 46.7782 -39.7407 24.2982 5.87862 46.6024 6.41287 1.24417 TIMING: 2435000 CPU: 7771.66, 0.00316318/step Wall: 7771.66, 0.00316318/step, 2.25376 hours remaining, 233.097656 MB of memory in use. ENERGY: 2435000 3988.0409 20285.6785 14466.4159 258.0000 -203261.2113 2620.3986 0.0000 0.0000 52074.4824 -109568.1950 299.2728 -161642.6774 -109201.8329 299.2206 -109.4367 -74.6861 759514.3546 0.0848 0.3782 PRESSURE: 2435200 311.073 -17.3455 -108.975 -17.3452 359.275 91.5265 -108.975 91.5269 -49.9893 GPRESSURE: 2435200 360.097 -76.2954 -69.3706 -61.8847 361.273 103.299 -4.33238 46.6172 -29.6362 PRESSAVG: 2435200 -24.0835 -46.9329 6.64762 -46.933 77.2102 -26.1799 6.64761 -26.18 -6.69422 GPRESSAVG: 2435200 -23.72 -50.9699 7.14076 -47.2683 74.9684 -25.2681 8.40173 -26.3315 -5.10683 TIMING: 2435200 CPU: 7772.29, 0.00314899/step Wall: 7772.29, 0.00314899/step, 2.24348 hours remaining, 233.097656 MB of memory in use. ENERGY: 2435200 3964.4553 20488.9796 14442.9569 240.1632 -203472.5077 2743.4975 0.0000 0.0000 52103.9803 -109488.4749 299.4423 -161592.4551 -109119.2199 299.2449 206.7862 230.5778 759690.2391 15.4775 15.3805 PRESSURE: 2435400 -16.3716 216.978 -19.4078 216.979 87.2458 -96.1545 -19.4081 -96.1542 -112.068 GPRESSURE: 2435400 -27.188 210.21 62.3221 93.5156 118.953 -143.501 -207.336 -79.4018 -45.0815 PRESSAVG: 2435400 -53.1887 -17.028 -28.3316 -17.0279 92.5012 -6.60274 -28.3316 -6.60264 3.30434 GPRESSAVG: 2435400 -53.2369 -15.4241 -28.9886 -18.3819 93.9992 -6.30255 -27.2523 -5.9488 1.8491 TIMING: 2435400 CPU: 7772.92, 0.00316289/step Wall: 7772.92, 0.00316289/step, 2.25321 hours remaining, 233.097656 MB of memory in use. ENERGY: 2435400 3966.8801 20449.3981 14520.3394 249.0934 -203179.3399 2437.2890 0.0000 0.0000 52020.4794 -109535.8606 298.9624 -161556.3400 -109173.9540 299.4999 -13.7313 15.5613 759751.8579 14.2056 14.2038 PRESSURE: 2435600 123.387 -187.491 -104.073 -187.491 -236.753 9.05098 -104.072 9.05195 13.6292 GPRESSURE: 2435600 208.271 -168.865 -73.2716 -155.116 -265.576 10.2928 -59.5518 54.2344 43.1323 PRESSAVG: 2435600 -16.0872 -52.495 -38.5274 -52.495 31.0045 24.5517 -38.5273 24.5517 10.9779 GPRESSAVG: 2435600 -15.9633 -53.2467 -39.1065 -48.3758 29.8234 23.8099 -39.6869 23.1712 12.5194 TIMING: 2435600 CPU: 7773.55, 0.00314767/step Wall: 7773.55, 0.00314767/step, 2.24219 hours remaining, 233.097656 MB of memory in use. ENERGY: 2435600 3989.5612 20566.8285 14472.6326 256.7363 -203244.6497 2324.3350 0.0000 0.0000 51960.8453 -109673.7108 298.6197 -161634.5561 -109317.5740 298.6839 -33.2458 -4.7245 761192.7153 8.6317 8.7932 PRESSURE: 2435800 -97.9618 137.31 113.112 137.311 260.097 376.351 113.111 376.35 88.2324 GPRESSURE: 2435800 -118.516 102.449 88.2485 126.649 332.287 362.901 21.0347 446.296 135.545 PRESSAVG: 2435800 -13.8468 -19.9568 -20.8673 -19.9568 24.3098 35.2325 -20.8673 35.2326 6.80803 GPRESSAVG: 2435800 -15.066 -17.9354 -21.5102 -23.1293 26.0812 35.8424 -19.0976 35.8185 6.19629 TIMING: 2435800 CPU: 7774.18, 0.00316238/step Wall: 7774.18, 0.00316238/step, 2.2525 hours remaining, 233.097656 MB of memory in use. ENERGY: 2435800 3860.3492 20481.6616 14503.2591 250.9512 -203397.9302 2525.8576 0.0000 0.0000 52084.4541 -109691.3974 299.3301 -161775.8515 -109331.9996 298.6182 83.4557 116.4385 759487.1076 5.7570 5.7372 PRESSURE: 2436000 157.686 -213.118 -167.472 -213.117 189.197 251.722 -167.471 251.721 134.513 GPRESSURE: 2436000 249.569 -218.594 -131.249 -179.664 186.876 292.656 -131.901 211.876 116.146 PRESSAVG: 2436000 -17.8503 6.41989 14.732 6.41984 42.3677 45.9272 14.732 45.9272 -6.70203 GPRESSAVG: 2436000 -17.0983 6.0737 16.6933 5.25587 42.8163 46.6982 10.5059 46.1957 -8.07158 TIMING: 2436000 CPU: 7774.81, 0.00313237/step Wall: 7774.81, 0.00313237/step, 2.23094 hours remaining, 233.097656 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: 2436000 3991.3331 20681.3887 14529.7138 219.6799 -203458.9712 2459.8570 0.0000 0.0000 51902.4570 -109674.5417 298.2841 -161576.9987 -109319.4993 298.6573 160.4653 184.1971 759047.2512 5.9384 5.8821 PRESSURE: 2436200 -102.943 -125.693 -212.337 -125.694 548.329 444.605 -212.336 444.605 203.747 GPRESSURE: 2436200 -63.0897 36.0019 -280.595 -111.668 522.26 394.462 -184.113 413.161 259.266 PRESSAVG: 2436200 -40.1323 -48.9139 1.56033 -48.9139 67.6058 76.3908 1.56031 76.3907 -12.8488 GPRESSAVG: 2436200 -39.6616 -51.5887 1.21245 -46.4218 66.5766 74.5644 2.92538 76.2246 -12.0018 TIMING: 2436200 CPU: 7775.44, 0.00314981/step Wall: 7775.44, 0.00314981/step, 2.24319 hours remaining, 233.097656 MB of memory in use. ENERGY: 2436200 4019.1496 20587.8041 14534.8230 246.6465 -203388.3082 2556.9523 0.0000 0.0000 51672.5424 -109770.3902 296.9628 -161442.9326 -109429.8813 298.9954 216.3777 239.4788 759839.2077 4.8749 4.9711 LDB: ============= START OF LOAD BALANCING ============== 7787.86 LDB: ============== END OF LOAD BALANCING =============== 7787.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7787.86 LDB: ============= START OF LOAD BALANCING ============== 7788.18 LDB: Largest compute 7069 load 0.034149 is 17.5% of average load 0.195389 LDB: Average compute 0.004420 is 2.3% of average load 0.195389 LDB: TIME 7788.18 LOAD: AVG 0.195389 MAX 0.210754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.93 MB LDB: TIME 7788.18 LOAD: AVG 0.195389 MAX 0.210754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: TIME 7788.18 LOAD: AVG 0.195389 MAX 0.210754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: ============== END OF LOAD BALANCING =============== 7788.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7788.19 PRESSURE: 2436400 103.222 -119.191 117.406 -119.19 -172.502 61.1082 117.406 61.1084 -55.7991 GPRESSURE: 2436400 138.692 -194.724 127.346 -105.753 -115.39 68.6982 150.522 -9.93446 -73.0993 PRESSAVG: 2436400 -8.50353 -22.0783 11.641 -22.0783 -15.0614 38.3439 11.641 38.3439 -16.4606 GPRESSAVG: 2436400 -8.5294 -19.9623 13.0835 -23.6553 -14.3086 40.4542 12.4329 36.9605 -17.2877 TIMING: 2436400 CPU: 7776.08, 0.0032184/step Wall: 7776.08, 0.0032184/step, 2.29186 hours remaining, 234.128906 MB of memory in use. ENERGY: 2436400 4012.0244 20542.7717 14538.7836 259.9649 -203263.0462 2371.4018 0.0000 0.0000 51845.3872 -109692.7126 297.9562 -161538.0998 -109333.1473 298.6605 -41.6929 -16.5992 760457.4788 -13.3419 -13.3752 PRESSURE: 2436600 -74.0435 109.973 273.454 109.972 -254.125 -220.578 273.454 -220.577 -158.745 GPRESSURE: 2436600 77.583 184.595 316.002 44.7501 -217.47 -316.244 167.732 -173.926 -247.179 PRESSAVG: 2436600 -45.0254 -47.6603 45.8535 -47.6604 3.75306 -1.28365 45.8534 -1.28367 22.1094 GPRESSAVG: 2436600 -44.4096 -46.9909 44.8964 -46.5568 3.716 -1.62054 45.9204 0.0616039 22.0686 TIMING: 2436600 CPU: 7776.71, 0.00315148/step Wall: 7776.71, 0.00315148/step, 2.24403 hours remaining, 234.128906 MB of memory in use. ENERGY: 2436600 3906.4293 20639.8692 14517.1033 238.0371 -202880.7878 2073.5317 0.0000 0.0000 51741.3379 -109764.4792 297.3582 -161505.8172 -109404.8643 299.1744 -162.3047 -129.0218 760594.1400 -6.3877 -6.2083 PRESSURE: 2436800 132.11 119.392 -416.183 119.391 82.3984 186.802 -416.183 186.802 387.156 GPRESSURE: 2436800 -17.0069 108.749 -469.046 174.427 233.498 207.192 -173.761 178.04 474.073 PRESSAVG: 2436800 -24.5517 -50.7184 -13.0335 -50.7185 12.8399 -3.86265 -13.0335 -3.8627 24.5343 GPRESSAVG: 2436800 -25.6945 -51.5944 -13.4214 -51.793 13.0449 -4.2879 -11.9959 -3.65039 25.2438 TIMING: 2436800 CPU: 7777.34, 0.0031524/step Wall: 7777.34, 0.0031524/step, 2.24451 hours remaining, 234.386719 MB of memory in use. ENERGY: 2436800 3970.8359 20357.3917 14507.2879 230.4088 -203454.2171 2572.7276 0.0000 0.0000 52096.7245 -109718.8407 299.4006 -161815.5652 -109351.0792 299.0801 200.5548 230.1878 760069.6774 4.2742 4.1981 PRESSURE: 2437000 -310.655 53.9814 -165.916 53.9814 -125.822 103.051 -165.916 103.05 -138.378 GPRESSURE: 2437000 -211.156 75.0292 -158.83 161.035 -154.504 117.769 -114.945 -67.0665 -117.378 PRESSAVG: 2437000 25.4424 -40.1 19.2663 -40.1 -24.796 10.6251 19.2664 10.6251 -17.6669 GPRESSAVG: 2437000 25.6638 -40.7229 18.3525 -39.4226 -24.6204 11.0311 18.4723 10.0707 -18.1453 TIMING: 2437000 CPU: 7777.97, 0.0031553/step Wall: 7777.97, 0.0031553/step, 2.2464 hours remaining, 234.386719 MB of memory in use. ENERGY: 2437000 4050.2313 20661.0868 14486.6657 238.1470 -203399.7996 2319.0638 0.0000 0.0000 51808.1894 -109836.4156 297.7424 -161644.6050 -109478.8245 298.8791 -191.6183 -161.0126 760733.8288 -5.6735 -5.7006 PRESSURE: 2437200 -10.0445 31.4543 76.8658 31.4546 4.52438 367.16 76.8661 367.159 -221.109 GPRESSURE: 2437200 74.1801 27.6291 50.369 3.76006 -39.1979 471.757 160.379 250.036 -179.189 PRESSAVG: 2437200 8.5815 -12.0101 21.5403 -12.0101 22.5282 63.2679 21.5403 63.2679 22.8538 GPRESSAVG: 2437200 8.82941 -9.21741 22.1564 -12.6349 21.3239 63.2524 22.1944 62.7272 23.8138 TIMING: 2437200 CPU: 7778.6, 0.00315379/step Wall: 7778.6, 0.00315379/step, 2.24515 hours remaining, 234.386719 MB of memory in use. ENERGY: 2437200 4028.5299 20385.6284 14468.2523 248.8807 -203804.3458 2712.2577 0.0000 0.0000 51904.0460 -110056.7510 298.2933 -161960.7970 -109695.0507 298.5418 -75.5430 -48.0690 759853.7364 17.9878 17.9890 PRESSURE: 2437400 223.028 -87.635 -335.379 -87.6351 -122.735 11.3601 -335.38 11.3603 -76.9881 GPRESSURE: 2437400 180.95 -55.6457 -358.963 -170.095 -58.4151 -16.8667 -185.017 52.0114 -35.4931 PRESSAVG: 2437400 18.4498 -20.1583 -7.31972 -20.1583 -39.7776 9.78212 -7.31975 9.78213 -1.4202 GPRESSAVG: 2437400 17.528 -21.9594 -6.21838 -19.8455 -38.3001 9.18775 -9.03932 10.72 -2.11787 TIMING: 2437400 CPU: 7779.24, 0.0031756/step Wall: 7779.24, 0.0031756/step, 2.2605 hours remaining, 234.386719 MB of memory in use. ENERGY: 2437400 3927.9977 20452.8087 14450.8127 233.6154 -203988.0632 2726.8451 0.0000 0.0000 52151.4527 -110044.5308 299.7151 -162195.9835 -109676.2541 298.3500 7.7681 29.0141 759119.1383 -7.5827 -7.6300 PRESSURE: 2437600 -111.337 -152.547 101.181 -152.548 -70.5135 -153.209 101.181 -153.209 237.755 GPRESSURE: 2437600 -114.116 -201.422 136.293 -146.665 -33.8784 -140.277 192.551 -141.207 293.455 PRESSAVG: 2437600 70.9969 -28.9665 -23.3921 -28.9664 0.0572822 14.861 -23.3921 14.861 -3.12073 GPRESSAVG: 2437600 70.7949 -29.3491 -23.6286 -28.1047 -0.115787 15.6047 -22.4543 13.4632 -3.21761 TIMING: 2437600 CPU: 7779.87, 0.00313306/step Wall: 7779.87, 0.00313306/step, 2.23004 hours remaining, 234.386719 MB of memory in use. ENERGY: 2437600 4007.3085 20359.5182 14484.9701 221.3015 -203433.5589 2614.9352 0.0000 0.0000 51939.3444 -109806.1811 298.4961 -161745.5255 -109445.9512 298.6973 18.6350 48.4869 760197.3996 22.6445 22.4872 PRESSURE: 2437800 5.25744 171.928 151.99 171.928 -367.29 -84.7795 151.991 -84.7794 -323.879 GPRESSURE: 2437800 64.8274 90.7702 107.97 163.506 -286.484 -69.2726 71.8397 -135.708 -367.338 PRESSAVG: 2437800 -23.5196 -32.7283 13.3057 -32.7284 -0.277744 12.7098 13.3057 12.7098 -15.457 GPRESSAVG: 2437800 -22.4753 -30.9171 12.6615 -33.2485 0.482382 14.0872 12.8603 13.7842 -17.1383 TIMING: 2437800 CPU: 7780.5, 0.00317173/step Wall: 7780.5, 0.00317173/step, 2.25739 hours remaining, 234.386719 MB of memory in use. ENERGY: 2437800 3911.8351 20350.5589 14482.7963 239.7131 -203093.2015 2245.4681 0.0000 0.0000 52029.6811 -109833.1489 299.0153 -161862.8300 -109468.7842 297.8431 -228.6372 -196.3316 759926.8176 -13.0848 -13.0437 PRESSURE: 2438000 -413.728 -187.247 -250.959 -187.248 -146.737 -132.159 -250.959 -132.16 -65.9735 GPRESSURE: 2438000 -301.866 -155.048 -286.332 -245.439 -262.76 -101.952 -125.685 -234.55 18.067 PRESSAVG: 2438000 32.0127 -0.339562 24.238 -0.339583 -30.1197 -39.3431 24.238 -39.3432 2.86891 GPRESSAVG: 2438000 33.1323 -0.802197 24.8418 -1.62962 -32.8997 -41.1635 24.4551 -40.0967 3.90751 TIMING: 2438000 CPU: 7781.13, 0.00317128/step Wall: 7781.13, 0.00317128/step, 2.25689 hours remaining, 234.386719 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: 2438000 3947.9206 20407.9566 14515.2918 247.2739 -203160.6759 2370.0555 0.0000 0.0000 52105.0980 -109567.0795 299.4487 -161672.1775 -109205.6183 298.8455 -208.8126 -182.1863 759086.5137 1.5873 1.3800 PRESSURE: 2438200 169.006 48.3856 100.997 48.3863 -218.565 176.583 100.997 176.583 -222.817 GPRESSURE: 2438200 183.689 109.233 20.239 -101.198 -116.87 202.376 49.3359 211.45 -237.055 PRESSAVG: 2438200 43.6867 -37.3098 -15.9669 -37.3098 7.59577 2.33278 -15.9668 2.3328 4.68883 GPRESSAVG: 2438200 41.943 -37.0643 -16.3243 -37.2059 9.58969 3.191 -15.8827 3.33362 4.48947 TIMING: 2438200 CPU: 7781.77, 0.00317822/step Wall: 7781.77, 0.00317821/step, 2.26165 hours remaining, 234.386719 MB of memory in use. ENERGY: 2438200 4067.4130 20433.2678 14489.8815 243.1953 -203166.7348 2426.3218 0.0000 0.0000 51921.4107 -109585.2446 298.3931 -161506.6554 -109215.7842 298.6203 -90.7917 -56.7454 760809.5158 18.6571 18.6740 PRESSURE: 2438400 -305.79 3.17141 -53.9342 3.17068 133.033 163.181 -53.935 163.181 -16.0787 GPRESSURE: 2438400 -297.781 -30.6994 -78.6493 16.8423 152.656 80.2012 14.7216 178.474 32.3671 PRESSAVG: 2438400 27.2577 -38.031 63.9148 -38.031 18.4331 6.38591 63.9148 6.38585 -0.332946 GPRESSAVG: 2438400 26.1004 -35.6565 62.9492 -37.04 16.4722 4.76211 66.7592 7.3227 2.33115 TIMING: 2438400 CPU: 7782.4, 0.00316506/step Wall: 7782.4, 0.00316506/step, 2.25212 hours remaining, 234.386719 MB of memory in use. ENERGY: 2438400 4015.7126 20350.1179 14456.8510 240.5038 -203599.5236 2634.6562 0.0000 0.0000 52028.2385 -109873.4436 299.0070 -161901.6821 -109502.6662 298.9771 -62.9452 -37.5860 760134.0362 15.1193 14.9679 PRESSURE: 2438600 -36.296 -93.2047 -19.3874 -93.2046 28.4905 -212.027 -19.3874 -212.029 177.472 GPRESSURE: 2438600 -56.197 -69.3519 -47.1007 -84.428 100.499 -231.866 65.944 -218.016 217.146 PRESSAVG: 2438600 -75.5104 -109.199 37.5422 -109.199 43.8953 -36.8543 37.5422 -36.8542 32.0646 GPRESSAVG: 2438600 -75.1183 -112.759 37.8485 -107.093 46.146 -35.7338 36.6828 -37.0312 29.4204 TIMING: 2438600 CPU: 7783.03, 0.00315265/step Wall: 7783.03, 0.00315265/step, 2.24311 hours remaining, 234.386719 MB of memory in use. ENERGY: 2438600 3948.1329 20648.2584 14425.2455 251.3294 -203531.4393 2356.6474 0.0000 0.0000 52056.4839 -109845.3418 299.1693 -161901.8257 -109483.6969 298.7804 56.5554 87.1494 760406.9543 0.1498 0.1494 PRESSURE: 2438800 184.084 88.8849 24.8436 88.8858 -168.712 -51.9036 24.8435 -51.9043 -204.833 GPRESSURE: 2438800 214.162 138.419 11.8215 -10.8509 -59.888 -70.6673 11.6695 -138.388 -254.706 PRESSAVG: 2438800 24.2872 -17.1488 28.4409 -17.1486 -21.7144 5.0835 28.4409 5.08365 1.39996 GPRESSAVG: 2438800 24.2629 -17.0891 29.6052 -19.0114 -22.1515 4.10723 27.9538 4.76071 1.96886 TIMING: 2438800 CPU: 7783.67, 0.00316052/step Wall: 7783.67, 0.00316052/step, 2.24854 hours remaining, 234.386719 MB of memory in use. ENERGY: 2438800 4030.8207 20508.6966 14473.8572 236.3765 -203468.5796 2537.9072 0.0000 0.0000 51979.1559 -109701.7656 298.7249 -161680.9215 -109341.7955 298.6049 -63.1534 -33.4776 760678.6343 1.3242 1.3601 PRESSURE: 2439000 59.8654 -70.0385 168.15 -70.0393 9.43478 -9.03673 168.149 -9.03718 208.541 GPRESSURE: 2439000 163.785 -55.9861 134.797 -102.232 23.8354 -64.0343 173.928 27.2462 192.132 PRESSAVG: 2439000 -8.95576 -9.16515 -14.5281 -9.16516 -23.2935 -44.4193 -14.5282 -44.4192 19.535 GPRESSAVG: 2439000 -9.08473 -7.3036 -15.7424 -10.4049 -23.3959 -44.6248 -14.0362 -44.4654 20.1079 TIMING: 2439000 CPU: 7784.3, 0.00316968/step Wall: 7784.3, 0.00316968/step, 2.25487 hours remaining, 234.386719 MB of memory in use. ENERGY: 2439000 3990.8840 20407.6779 14504.0431 246.3373 -203197.8208 2601.7728 0.0000 0.0000 51959.0937 -109488.0119 298.6096 -161447.1057 -109123.6877 298.9512 92.6139 126.5844 761054.2711 -4.2381 -4.1243 PRESSURE: 2439200 110.944 -63.3578 -168.427 -63.3574 -348.456 55.9672 -168.428 55.9673 -85.9964 GPRESSURE: 2439200 184.283 -4.28042 -69.3223 -25.7495 -321.832 -9.32543 -49.0542 -80.0534 -97.2106 PRESSAVG: 2439200 11.5633 -29.2621 -22.1175 -29.2621 18.9642 -5.97352 -22.1176 -5.97345 25.9259 GPRESSAVG: 2439200 12.237 -29.6054 -20.6587 -28.6755 19.6804 -6.23479 -22.7325 -5.36431 24.2217 TIMING: 2439200 CPU: 7784.93, 0.0031617/step Wall: 7784.93, 0.0031617/step, 2.24902 hours remaining, 234.386719 MB of memory in use. ENERGY: 2439200 4070.3755 20548.1880 14465.2432 241.6412 -203657.9767 2628.2392 0.0000 0.0000 52264.7369 -109439.5526 300.3662 -161704.2895 -109061.8134 299.3239 -107.8359 -78.2535 760123.1091 18.8178 18.7130 PRESSURE: 2439400 -75.2238 -73.8253 56.0406 -73.825 -187.08 66.3269 56.0414 66.3273 23.3311 GPRESSURE: 2439400 -76.0867 32.2518 101.709 -81.7861 -110.991 120.701 127.203 -75.5395 33.8085 PRESSAVG: 2439400 14.2308 -29.7292 -50.9664 -29.7291 29.1017 -9.32528 -50.9664 -9.32525 32.0147 GPRESSAVG: 2439400 13.6503 -31.4845 -51.5697 -27.8434 28.1465 -7.04314 -51.1351 -12.1821 33.554 TIMING: 2439400 CPU: 7785.56, 0.00315739/step Wall: 7785.56, 0.00315739/step, 2.24578 hours remaining, 234.386719 MB of memory in use. ENERGY: 2439400 4013.9913 20465.1804 14435.1700 248.7345 -203201.4445 2385.8809 0.0000 0.0000 52112.5019 -109539.9855 299.4913 -161652.4874 -109171.9323 299.7352 -79.6575 -51.0898 761968.4891 25.1157 25.1169 PRESSURE: 2439600 -110.855 118.323 146.762 118.323 -187.782 220.047 146.762 220.047 452.854 GPRESSURE: 2439600 -110.294 73.8404 189.448 41.6249 -96.0214 109.651 202.056 161.964 455.086 PRESSAVG: 2439600 31.8756 -20.1796 11.3139 -20.1796 13.5413 -9.68864 11.3139 -9.68866 16.9115 GPRESSAVG: 2439600 32.0332 -19.4785 11.1544 -22.789 14.3752 -12.097 9.87939 -8.29043 16.3642 TIMING: 2439600 CPU: 7786.19, 0.00313587/step Wall: 7786.19, 0.00313587/step, 2.2303 hours remaining, 234.386719 MB of memory in use. ENERGY: 2439600 4058.1593 20487.8796 14493.2650 241.6158 -203858.4762 2830.2691 0.0000 0.0000 52095.6982 -109651.5892 299.3947 -161747.2874 -109290.9373 299.0932 51.4055 82.9236 760297.8684 20.7761 20.9242 PRESSURE: 2439800 341.484 -278.297 70.094 -278.297 58.728 -174.262 70.0945 -174.263 203.737 GPRESSURE: 2439800 359.541 -230.715 48.5795 -170.59 167.787 -102.674 61.1124 -209.41 168.996 PRESSAVG: 2439800 -75.6717 -24.2298 17.9026 -24.2298 3.03709 -37.0975 17.9026 -37.0975 25.7611 GPRESSAVG: 2439800 -73.9952 -22.5745 18.1723 -23.8961 2.74859 -34.4093 19.2478 -35.2949 24.7066 TIMING: 2439800 CPU: 7786.82, 0.00316054/step Wall: 7786.82, 0.00316054/step, 2.24767 hours remaining, 234.386719 MB of memory in use. ENERGY: 2439800 3933.4906 20542.1537 14503.4577 250.1356 -203372.1563 2677.8101 0.0000 0.0000 51891.6013 -109573.5073 298.2217 -161465.1086 -109219.6221 298.8002 201.3164 232.1080 759170.1477 -15.6245 -15.5133 PRESSURE: 2440000 48.0761 -70.0126 18.2815 -70.0119 249.316 -50.1339 18.2813 -50.1332 176.722 GPRESSURE: 2440000 135.785 -6.76825 -66.7346 -3.09191 241.04 -58.7959 57.9956 -21.6007 187.977 PRESSAVG: 2440000 11.7662 -60.0867 -14.1278 -60.0867 4.06187 8.46643 -14.1278 8.46641 -7.24813 GPRESSAVG: 2440000 10.3155 -63.0348 -16.4933 -59.2695 4.49858 6.8487 -14.9924 7.55223 -6.22198 TIMING: 2440000 CPU: 7787.46, 0.00316179/step Wall: 7787.46, 0.00316179/step, 2.24838 hours remaining, 234.386719 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: 2440000 3937.3036 20605.6402 14513.1514 245.0519 -203483.0827 2598.6948 0.0000 0.0000 52258.0952 -109325.1456 300.3280 -161583.2409 -108962.2938 299.6946 158.0381 188.2673 757813.5106 2.8600 2.8640 PRESSURE: 2440200 253.554 20.9443 -178.95 20.9442 -22.85 -23.9802 -178.951 -23.9805 -200.138 GPRESSURE: 2440200 265.533 -163.525 -228.009 -94.8746 77.4111 87.8899 -157.161 -120.28 -237.644 PRESSAVG: 2440200 -25.9797 -69.0783 3.51647 -69.0783 -14.4075 -29.4423 3.5165 -29.4423 5.65331 GPRESSAVG: 2440200 -24.7473 -68.3467 5.11192 -67.4797 -14.5902 -29.2279 2.9695 -30.0509 4.43279 TIMING: 2440200 CPU: 7788.09, 0.00315903/step Wall: 7788.09, 0.00315903/step, 2.24625 hours remaining, 234.386719 MB of memory in use. ENERGY: 2440200 4018.7948 20609.4617 14469.7191 240.2065 -202975.3617 2251.6218 0.0000 0.0000 52137.3689 -109248.1888 299.6342 -161385.5577 -108876.1287 299.7172 10.1888 35.1001 760057.4173 -11.5780 -11.6349 LDB: ============= START OF LOAD BALANCING ============== 7800.51 LDB: ============== END OF LOAD BALANCING =============== 7800.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7800.51 LDB: ============= START OF LOAD BALANCING ============== 7800.82 LDB: Largest compute 7033 load 0.034775 is 17.8% of average load 0.195403 LDB: Average compute 0.004409 is 2.3% of average load 0.195403 LDB: TIME 7800.83 LOAD: AVG 0.195403 MAX 0.211521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.121 MB LDB: TIME 7800.83 LOAD: AVG 0.195403 MAX 0.211521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: TIME 7800.83 LOAD: AVG 0.195403 MAX 0.211521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: ============== END OF LOAD BALANCING =============== 7800.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7800.84 PRESSURE: 2440400 221.596 -12.0421 222.822 -12.0418 -210.187 -41.8906 222.822 -41.8908 -460.699 GPRESSURE: 2440400 231.742 -39.189 244.597 -53.3871 -208.199 15.8311 270.166 -8.52497 -387.034 PRESSAVG: 2440400 -53.29 8.98646 20.5545 8.98647 51.7341 18.2002 20.5545 18.2002 -3.30788 GPRESSAVG: 2440400 -53.7119 9.72656 20.6598 6.59284 51.954 18.7286 22.3394 18.2398 -2.33929 TIMING: 2440400 CPU: 7788.73, 0.00321251/step Wall: 7788.73, 0.00321251/step, 2.28409 hours remaining, 234.898438 MB of memory in use. ENERGY: 2440400 3931.0807 20493.6336 14457.6324 258.3946 -202478.1545 1988.9191 0.0000 0.0000 52166.2557 -109182.2384 299.8002 -161348.4941 -108820.1795 299.7203 -149.7632 -121.1636 760866.7239 -1.6213 -1.3657 PRESSURE: 2440600 61.6914 -47.2883 12.5005 -47.2878 237.447 -306.595 12.5004 -306.596 -264.486 GPRESSURE: 2440600 96.3674 9.3878 -22.4672 94.3568 324.567 -225.287 -69.7242 -281.833 -271.659 PRESSAVG: 2440600 -14.9254 -5.03774 59.0945 -5.03781 7.79456 -24.0752 59.0946 -24.0753 1.11749 GPRESSAVG: 2440600 -14.7386 -5.0082 59.6114 -4.78719 7.66148 -24.1343 57.3453 -25.4891 1.46602 TIMING: 2440600 CPU: 7789.36, 0.00314957/step Wall: 7789.36, 0.00314957/step, 2.23917 hours remaining, 235.156250 MB of memory in use. ENERGY: 2440600 3987.1821 20583.3666 14431.2373 256.2599 -203474.7873 2554.1636 0.0000 0.0000 52056.7368 -109605.8411 299.1708 -161662.5779 -109249.9354 299.4117 11.5507 49.7587 758922.7296 -2.0045 -1.8704 PRESSURE: 2440800 110.319 61.3725 -68.3045 61.3716 234.192 196.504 -68.304 196.503 273.624 GPRESSURE: 2440800 158.583 124.611 -186.886 28.7537 296.389 201.679 -135.487 69.7501 256.38 PRESSAVG: 2440800 4.7132 11.0815 1.72362 11.0815 45.5122 -38.5265 1.72366 -38.5266 -22.53 GPRESSAVG: 2440800 4.3107 12.2841 0.074374 11.9199 46.4523 -39.2291 4.24702 -36.9015 -23.1811 TIMING: 2440800 CPU: 7789.99, 0.00317563/step Wall: 7789.99, 0.00317563/step, 2.25752 hours remaining, 235.156250 MB of memory in use. ENERGY: 2440800 3945.2908 20404.3270 14427.6910 247.3697 -203438.0455 2642.4280 0.0000 0.0000 52070.3423 -109700.5968 299.2490 -161770.9390 -109333.5189 298.6129 206.0450 237.1175 758550.3480 9.2318 9.1939 PRESSURE: 2441000 -359.264 -12.3293 67.8162 -12.3295 169.922 -101.562 67.8161 -101.562 654.233 GPRESSURE: 2441000 -246.243 -145.504 103.605 0.953606 215.764 -131.786 116.964 -64.1323 595.495 PRESSAVG: 2441000 24.6851 -35.0203 65.9 -35.0203 4.63294 -26.0808 65.9 -26.0808 11.23 GPRESSAVG: 2441000 25.7787 -36.635 66.2144 -34.8682 3.32241 -24.3042 66.3477 -25.3363 11.9257 TIMING: 2441000 CPU: 7790.63, 0.00317608/step Wall: 7790.63, 0.00317608/step, 2.25766 hours remaining, 235.156250 MB of memory in use. ENERGY: 2441000 3890.7438 20407.4331 14468.6290 243.1723 -203354.1718 2489.5540 0.0000 0.0000 51855.0355 -109999.6041 298.0116 -161854.6396 -109633.7880 298.1226 154.9635 188.3385 760272.2703 13.5160 13.6756 PRESSURE: 2441200 -116.595 -131.014 -173.044 -131.014 -180.2 64.6786 -173.044 64.6785 -217.808 GPRESSURE: 2441200 -113.925 -15.991 -211.48 -59.3809 -57.3838 51.917 -295.913 68.0154 -269.984 PRESSAVG: 2441200 32.3671 11.9351 70.9296 11.9352 -31.1677 -63.0386 70.9296 -63.0387 -15.1146 GPRESSAVG: 2441200 32.1462 13.0931 71.4971 12.302 -31.3861 -64.5264 67.6818 -65.2883 -15.2001 TIMING: 2441200 CPU: 7791.26, 0.00317475/step Wall: 7791.26, 0.00317475/step, 2.25654 hours remaining, 235.156250 MB of memory in use. ENERGY: 2441200 4003.6483 20535.5971 14392.6319 249.7035 -203477.1565 2318.2706 0.0000 0.0000 51957.5306 -110019.7745 298.6006 -161977.3052 -109659.0486 298.5162 -171.5347 -147.0977 759627.7565 -4.6384 -4.8133 PRESSURE: 2441400 -159.084 -17.8515 -106.64 -17.8509 -4.71567 -146.967 -106.64 -146.967 75.6595 GPRESSURE: 2441400 -100.009 -12.5805 -160.789 -140.06 40.9693 -28.5941 -84.4178 -146.777 80.6832 PRESSAVG: 2441400 15.223 -45.6131 58.5649 -45.613 -11.5791 1.0171 58.5649 1.01711 18.7913 GPRESSAVG: 2441400 15.4355 -47.3865 60.3194 -45.7354 -11.7999 1.09594 60.0904 4.21735 18.9105 TIMING: 2441400 CPU: 7791.9, 0.00316633/step Wall: 7791.9, 0.00316633/step, 2.25038 hours remaining, 235.156250 MB of memory in use. ENERGY: 2441400 4060.1441 20568.3298 14424.1605 234.3585 -203156.9739 2345.3100 0.0000 0.0000 51635.9382 -109888.7328 296.7524 -161524.6710 -109539.2689 298.5787 -29.3800 7.2143 760464.7645 7.4784 7.5154 PRESSURE: 2441600 -150.091 -227.154 38.8168 -227.154 -68.0628 -93.2506 38.8169 -93.2519 -138.477 GPRESSURE: 2441600 -37.1887 -245.312 53.4945 -64.869 -75.1329 -38.2472 -77.9397 -117.321 -161.06 PRESSAVG: 2441600 55.6741 -62.6198 3.11913 -62.6197 0.358269 -21.3652 3.11909 -21.3652 3.47716 GPRESSAVG: 2441600 55.1314 -61.9158 1.64575 -64.9584 0.399669 -22.2578 2.38111 -22.3961 3.11577 TIMING: 2441600 CPU: 7792.53, 0.00316367/step Wall: 7792.53, 0.00316367/step, 2.24831 hours remaining, 235.156250 MB of memory in use. ENERGY: 2441600 4063.2765 20426.0216 14541.5089 245.5189 -203293.0764 2360.2274 0.0000 0.0000 51895.6593 -109760.8639 298.2451 -161656.5232 -109405.2592 298.3834 -118.8771 -91.1271 761522.9646 19.8365 19.5489 PRESSURE: 2441800 231.136 -24.2947 -19.5155 -24.296 -72.9926 -53.9088 -19.5156 -53.909 74.6534 GPRESSURE: 2441800 157.929 1.55284 -28.2338 -17.912 39.0291 16.8049 48.2554 49.2542 129.468 PRESSAVG: 2441800 -39.1121 -31.3475 16.0637 -31.3475 7.46788 -16.7402 16.0637 -16.7402 -11.2999 GPRESSAVG: 2441800 -39.5996 -31.2601 16.7673 -28.6139 7.97492 -15.3206 17.7871 -17.7441 -11.2361 TIMING: 2441800 CPU: 7793.16, 0.00315261/step Wall: 7793.16, 0.00315261/step, 2.24028 hours remaining, 235.156250 MB of memory in use. ENERGY: 2441800 3946.7243 20564.4038 14540.7535 261.8626 -202933.1291 2220.2232 0.0000 0.0000 51911.9099 -109487.2519 298.3385 -161399.1618 -109135.2503 298.9257 77.5989 108.8087 761063.7505 -14.3147 -14.2869 PRESSURE: 2442000 -62.8695 228.017 132.472 228.016 -196.254 -5.75405 132.471 -5.75372 17.27 GPRESSURE: 2442000 29.3749 280.974 63.6506 101.28 -166.822 -66.8112 147.742 66.6972 -32.3058 PRESSAVG: 2442000 5.12698 -18.3094 -16.1944 -18.3094 -35.0774 -13.7114 -16.1945 -13.7114 22.2202 GPRESSAVG: 2442000 5.80345 -20.0829 -15.8858 -19.8907 -35.3386 -14.4503 -17.5285 -11.0728 21.3476 TIMING: 2442000 CPU: 7793.79, 0.00314981/step Wall: 7793.79, 0.00314981/step, 2.23812 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2442000 4010.2603 20447.2600 14542.6435 234.2714 -203453.0042 2573.2742 0.0000 0.0000 51822.2283 -109823.0664 297.8231 -161645.2948 -109465.0183 298.5289 -80.6177 -56.5844 761064.3020 -2.5767 -2.7292 PRESSURE: 2442200 230.606 -18.0453 -195.976 -18.0448 -65.4165 24.8288 -195.977 24.8295 298.93 GPRESSURE: 2442200 333.307 49.5519 -142.843 117.77 -9.02081 7.42685 -96.1413 85.5319 230.37 PRESSAVG: 2442200 67.1983 -20.0544 -29.4534 -20.0543 -59.0031 16.1294 -29.4534 16.1294 -27.0507 GPRESSAVG: 2442200 66.0944 -18.0278 -28.5939 -20.8411 -58.3776 16.8747 -28.8251 13.127 -27.2267 TIMING: 2442200 CPU: 7794.42, 0.00316078/step Wall: 7794.42, 0.00316078/step, 2.24573 hours remaining, 235.156250 MB of memory in use. ENERGY: 2442200 3923.5797 20593.6164 14486.0002 250.3073 -203563.8559 2748.2036 0.0000 0.0000 51802.0254 -109760.1233 297.7070 -161562.1487 -109399.3550 298.7522 154.7063 184.8855 759915.2182 -6.2852 -6.5033 PRESSURE: 2442400 -34.7773 -64.988 140.135 -64.9881 194.114 15.7065 140.135 15.7066 109.784 GPRESSURE: 2442400 -30.025 -93.8874 136.064 -73.4063 229.869 -22.7081 -19.5063 77.869 168.957 PRESSAVG: 2442400 19.3858 -20.8716 -68.0749 -20.8716 -10.8236 -24.6439 -68.0749 -24.6439 -5.32461 GPRESSAVG: 2442400 19.6084 -21.4206 -69.5166 -21.1145 -12.6057 -24.88 -67.113 -23.6352 -3.57175 TIMING: 2442400 CPU: 7795.05, 0.0031465/step Wall: 7795.05, 0.0031465/step, 2.23542 hours remaining, 235.156250 MB of memory in use. ENERGY: 2442400 3942.8336 20407.2771 14505.9399 242.0549 -203720.8213 2725.1196 0.0000 0.0000 52166.0308 -109731.5653 299.7989 -161897.5961 -109366.6935 298.8086 89.7068 122.9334 760487.6683 1.0792 1.1436 PRESSURE: 2442600 3.73659 -15.4869 61.9442 -15.4851 -396.734 122.681 61.9441 122.68 -14.3644 GPRESSURE: 2442600 -19.5496 52.4341 130.268 -1.11832 -323.494 169.934 128.279 169.208 32.5176 PRESSAVG: 2442600 2.73678 -25.6603 4.78176 -25.6602 8.68378 54.3549 4.78171 54.3549 -2.11611 GPRESSAVG: 2442600 2.31941 -25.6104 4.3441 -24.2276 9.57301 54.3709 4.74268 54.8792 -2.86366 TIMING: 2442600 CPU: 7795.68, 0.0031518/step Wall: 7795.68, 0.0031518/step, 2.239 hours remaining, 235.156250 MB of memory in use. ENERGY: 2442600 4022.7757 20507.9393 14499.9278 242.4545 -203829.0117 2645.5718 0.0000 0.0000 52245.1227 -109665.2199 300.2534 -161910.3426 -109283.5042 298.6492 -135.7872 -103.5087 761056.4111 3.1015 3.0096 PRESSURE: 2442800 202.873 -149.488 -154.668 -149.487 -74.366 70.3283 -154.668 70.3284 -119.186 GPRESSURE: 2442800 149.223 -84.1869 -126.495 -221.645 -34.3034 37.2067 -83.4113 116.038 -45.5158 PRESSAVG: 2442800 -6.89668 23.7282 4.13379 23.7282 21.036 9.98537 4.13377 9.98532 29.4115 GPRESSAVG: 2442800 -6.21866 22.4431 4.66703 23.7247 22.1379 9.87827 3.66609 9.60082 27.918 TIMING: 2442800 CPU: 7796.31, 0.00315486/step Wall: 7796.31, 0.00315486/step, 2.241 hours remaining, 235.156250 MB of memory in use. ENERGY: 2442800 4029.9240 20455.3878 14571.7649 227.6986 -203296.9456 2367.8276 0.0000 0.0000 51973.1142 -109671.2285 298.6902 -161644.3427 -109312.9584 298.5443 3.1068 23.1346 761558.6847 14.5169 14.6124 PRESSURE: 2443000 -61.5856 148.488 -16.7683 148.488 -62.0326 16.6229 -16.768 16.6228 -215.619 GPRESSURE: 2443000 -2.86843 151.317 -64.7302 161.141 19.653 83.6279 -96.142 -52.2027 -290.025 PRESSAVG: 2443000 12.4083 18.553 2.79644 18.553 -47.7946 52.281 2.79643 52.281 1.61085 GPRESSAVG: 2443000 11.7149 18.3561 2.59333 20.2682 -47.5237 52.1436 4.24884 50.8971 2.07263 TIMING: 2443000 CPU: 7796.94, 0.00314881/step Wall: 7796.94, 0.00314881/step, 2.23653 hours remaining, 235.156250 MB of memory in use. ENERGY: 2443000 4071.8398 20445.3246 14549.9931 233.7971 -203551.8457 2566.9814 0.0000 0.0000 51845.3181 -109838.5915 297.9558 -161683.9096 -109475.7737 298.5487 -113.0789 -91.0800 761730.6063 -11.2585 -11.2454 PRESSURE: 2443200 -368.378 -241.815 98.1295 -241.815 -133.814 22.0088 98.1295 22.0075 -378.755 GPRESSURE: 2443200 -260.136 -234.993 6.54545 -282.661 -149.091 0.735463 134.29 54.136 -377.889 PRESSAVG: 2443200 -10.1689 -15.8286 -55.5429 -15.8287 -14.7161 -47.4234 -55.5429 -47.4235 -6.72307 GPRESSAVG: 2443200 -9.22968 -14.6916 -55.4532 -19.3727 -16.1926 -49.0756 -57.8518 -45.6409 -6.06961 TIMING: 2443200 CPU: 7797.57, 0.00315472/step Wall: 7797.57, 0.00315472/step, 2.24055 hours remaining, 235.156250 MB of memory in use. ENERGY: 2443200 3983.9508 20480.0607 14581.5408 242.8806 -203498.3088 2679.3423 0.0000 0.0000 51785.2436 -109745.2899 297.6105 -161530.5335 -109389.2923 298.4873 -293.6490 -262.3718 762158.9332 -10.5360 -10.4973 PRESSURE: 2443400 16.1512 37.9134 236.426 37.9126 -249.176 216.833 236.426 216.833 201.46 GPRESSURE: 2443400 76.0817 -30.0777 324.586 90.7734 -238.756 132.478 130.664 206.678 218.179 PRESSAVG: 2443400 10.3765 -30.4913 -32.7993 -30.4913 -80.6946 3.39881 -32.7992 3.39876 33.407 GPRESSAVG: 2443400 9.73844 -30.0637 -31.9082 -29.1132 -80.4349 3.8885 -31.6456 2.52253 33.4115 TIMING: 2443400 CPU: 7798.21, 0.00317358/step Wall: 7798.21, 0.00317359/step, 2.25377 hours remaining, 235.156250 MB of memory in use. ENERGY: 2443400 3954.9314 20522.0859 14497.3491 230.9226 -203458.8087 2658.6172 0.0000 0.0000 51859.9414 -109734.9610 298.0398 -161594.9024 -109376.0113 298.8605 -10.5217 18.5015 762686.7794 -12.3037 -12.4283 PRESSURE: 2443600 213.574 84.7115 -263.617 84.711 49.6698 -132.657 -263.617 -132.657 5.48671 GPRESSURE: 2443600 290.646 131.447 -244.092 57.0369 38.0533 -121.558 -177.926 -170.182 23.1834 PRESSAVG: 2443600 60.4421 24.9665 -20.8101 24.9664 -95.763 8.03589 -20.81 8.03594 -1.67524 GPRESSAVG: 2443600 60.324 23.5722 -22.0831 26.8894 -95.5426 8.82574 -20.4653 8.47582 -1.04876 TIMING: 2443600 CPU: 7798.84, 0.00317586/step Wall: 7798.84, 0.00317586/step, 2.25522 hours remaining, 235.156250 MB of memory in use. ENERGY: 2443600 3972.1374 20502.0136 14548.2030 261.6643 -203356.9554 2633.1157 0.0000 0.0000 51792.9279 -109646.8936 297.6547 -161439.8215 -109284.8647 298.6248 89.5769 117.2942 763169.6347 -12.3321 -12.0891 PRESSURE: 2443800 -89.3537 -13.304 -105.964 -13.3033 167.489 -64.1221 -105.963 -64.1219 449.095 GPRESSURE: 2443800 -65.7415 -42.8806 -87.8736 14.6356 245.632 -38.1846 -140.941 -143.488 421.342 PRESSAVG: 2443800 -10.2283 27.479 9.86866 27.479 -15.1767 16.3902 9.86866 16.3902 -28.2468 GPRESSAVG: 2443800 -9.05866 28.0334 10.8764 26.0742 -14.7629 17.3094 10.0918 14.3561 -29.6059 TIMING: 2443800 CPU: 7799.48, 0.00316933/step Wall: 7799.48, 0.00316933/step, 2.2504 hours remaining, 235.156250 MB of memory in use. ENERGY: 2443800 3924.9756 20520.8691 14504.2903 245.5069 -203896.7114 2821.2891 0.0000 0.0000 52082.9894 -109796.7910 299.3217 -161879.7803 -109435.1875 298.9018 175.7435 200.4109 759848.0476 -17.8840 -17.8091 PRESSURE: 2444000 81.2323 60.1845 117.955 60.1844 137.029 93.8713 117.954 93.8713 48.3831 GPRESSURE: 2444000 199.46 24.8934 53.4695 9.22966 80.8637 80.1758 110.018 55.1986 79.2665 PRESSAVG: 2444000 28.4095 -8.16186 16.8943 -8.16183 4.68412 -5.29174 16.8942 -5.29175 -22.0278 GPRESSAVG: 2444000 28.8051 -8.23912 14.7345 -9.0277 3.67825 -6.0189 16.1053 -2.53716 -21.1041 TIMING: 2444000 CPU: 7800.11, 0.00315918/step Wall: 7800.11, 0.00315918/step, 2.24302 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2444000 4030.6781 20543.1208 14591.5271 249.9119 -203463.8155 2432.3315 0.0000 0.0000 51797.6364 -109818.6097 297.6817 -161616.2461 -109457.6455 297.9525 88.8815 119.8635 758662.9179 3.6886 3.7931 PRESSURE: 2444200 0.408244 -76.9545 -137.195 -76.9544 -113.048 -18.423 -137.195 -18.4221 91.55 GPRESSURE: 2444200 52.5826 -19.0178 -115.663 -23.0688 -7.88693 18.6886 -32.6373 -23.956 18.8986 PRESSAVG: 2444200 16.1773 33.9525 9.96604 33.9524 -12.4873 8.31832 9.96603 8.31832 -6.57892 GPRESSAVG: 2444200 15.6453 35.4117 11.3901 36.1878 -12.168 6.99441 7.63598 7.57824 -6.63113 TIMING: 2444200 CPU: 7800.74, 0.00315246/step Wall: 7800.74, 0.00315246/step, 2.23807 hours remaining, 235.156250 MB of memory in use. ENERGY: 2444200 4049.9349 20467.7860 14472.6639 234.4827 -203520.0592 2563.1842 0.0000 0.0000 52052.8409 -109679.1666 299.1484 -161732.0075 -109311.7159 298.5428 -7.0300 21.1981 761753.7370 -0.9630 -1.0513 LDB: ============= START OF LOAD BALANCING ============== 7813.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7813.16 LDB: =============== DONE WITH MIGRATION ================ 7813.16 LDB: ============= START OF LOAD BALANCING ============== 7813.48 LDB: Largest compute 7033 load 0.034003 is 17.4% of average load 0.195472 LDB: Average compute 0.004396 is 2.2% of average load 0.195472 LDB: TIME 7813.48 LOAD: AVG 0.195472 MAX 0.212506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.16 MB LDB: TIME 7813.48 LOAD: AVG 0.195472 MAX 0.212506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: TIME 7813.48 LOAD: AVG 0.195472 MAX 0.212506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: ============== END OF LOAD BALANCING =============== 7813.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7813.49 PRESSURE: 2444400 273.812 61.8523 11.7635 61.8516 147.837 -48.4169 11.7635 -48.4172 -385.313 GPRESSURE: 2444400 264.139 155.546 55.5388 55.749 194.447 -55.5949 105.377 -97.0411 -339.298 PRESSAVG: 2444400 25.5088 -11.5171 -47.7908 -11.5171 -18.6138 20.0738 -47.7908 20.0739 -20.4522 GPRESSAVG: 2444400 25.4405 -12.2835 -48.7922 -12.3364 -18.5287 21.1545 -46.5994 18.5733 -20.7304 TIMING: 2444400 CPU: 7801.38, 0.00320836/step Wall: 7801.38, 0.00320836/step, 2.27758 hours remaining, 234.062500 MB of memory in use. ENERGY: 2444400 4008.7316 20518.4496 14445.9233 244.8435 -203571.1433 2342.9136 0.0000 0.0000 52018.1421 -109992.1395 298.9490 -162010.2816 -109627.0077 298.4033 12.1119 39.7628 758789.6501 -4.5191 -4.6062 PRESSURE: 2444600 -63.0049 -133.48 83.4724 -133.48 95.899 257.174 83.4718 257.175 348.968 GPRESSURE: 2444600 9.15759 -57.8305 146.222 -220.455 148.544 297.69 -7.43736 272.678 311.538 PRESSAVG: 2444600 39.5777 -42.4439 -16.7083 -42.4439 5.55026 -23.1342 -16.7083 -23.1341 46.8546 GPRESSAVG: 2444600 39.2268 -43.2844 -16.1095 -43.0246 5.73689 -23.0815 -14.9054 -20.6412 46.381 TIMING: 2444600 CPU: 7802.01, 0.00313364/step Wall: 7802.01, 0.00313364/step, 2.22437 hours remaining, 234.265625 MB of memory in use. ENERGY: 2444600 4049.6117 20247.0684 14421.1803 255.5679 -203874.2348 2689.0368 0.0000 0.0000 51910.9079 -110300.8619 298.3327 -162211.7698 -109930.3027 298.4835 127.2875 156.4134 758023.3894 30.6609 30.4482 PRESSURE: 2444800 -212.561 -148.663 -73.2174 -148.662 322.289 -176.375 -73.2175 -176.375 44.4483 GPRESSURE: 2444800 -123.583 -147.685 -45.4729 -86.6988 318.919 -128.49 70.4029 -117.545 30.42 PRESSAVG: 2444800 -7.6245 -45.8259 24.5725 -45.8258 1.15368 24.1158 24.5725 24.1157 -32.6251 GPRESSAVG: 2444800 -8.18052 -46.9373 25.8778 -44.8169 0.849515 23.0449 21.6341 25.4947 -32.2466 TIMING: 2444800 CPU: 7802.64, 0.00313672/step Wall: 7802.64, 0.00313672/step, 2.22637 hours remaining, 234.265625 MB of memory in use. ENERGY: 2444800 4020.7528 20586.2983 14369.2564 242.6003 -203769.1394 2688.5954 0.0000 0.0000 51722.0445 -110139.5918 297.2473 -161861.6363 -109779.7352 297.9654 51.3922 75.2522 758539.6178 -13.0320 -13.1925 PRESSURE: 2445000 447.961 -33.506 -53.7643 -33.506 -318.241 -158.556 -53.7649 -158.557 436.238 GPRESSURE: 2445000 397.412 9.128 -118.352 -90.0401 -192.38 -132.061 -86.5467 -103.395 453.071 PRESSAVG: 2445000 1.62479 -21.9749 -29.4619 -21.9749 41.9104 -4.65972 -29.4618 -4.65975 15.4628 GPRESSAVG: 2445000 1.90842 -22.8107 -30.8231 -22.2713 41.2674 -3.63701 -26.8459 -6.26828 15.3393 TIMING: 2445000 CPU: 7803.27, 0.00315649/step Wall: 7803.27, 0.00315649/step, 2.24023 hours remaining, 234.265625 MB of memory in use. ENERGY: 2445000 3994.7044 20489.2935 14425.0282 241.9497 -203934.2118 2669.3719 0.0000 0.0000 51994.4922 -110119.3719 298.8131 -162113.8641 -109759.4776 298.0540 188.6526 219.3676 758265.6103 19.6660 19.5050 PRESSURE: 2445200 -349.568 -231.843 -200.606 -231.844 108.859 210.369 -200.607 210.369 -201.852 GPRESSURE: 2445200 -135.2 -100.776 -175.913 -172.737 49.7368 238.644 -241.008 188.638 -260.523 PRESSAVG: 2445200 -1.56515 -49.7925 48.3021 -49.7925 -45.1468 13.5406 48.3022 13.5406 -9.20381 GPRESSAVG: 2445200 -0.325198 -48.1102 50.0672 -49.6891 -46.2135 13.1185 47.1853 12.9516 -9.72154 TIMING: 2445200 CPU: 7803.89, 0.00312493/step Wall: 7803.89, 0.00312493/step, 2.21766 hours remaining, 234.265625 MB of memory in use. ENERGY: 2445200 4019.2884 20279.5954 14469.8888 233.1059 -203473.0032 2343.3253 0.0000 0.0000 51808.7893 -110319.0103 297.7458 -162127.7996 -109961.0548 297.5687 -147.5203 -115.3288 760452.1314 -18.6386 -18.7534 PRESSURE: 2445400 -91.6706 72.9602 33.7051 72.9603 -40.6056 14.8859 33.7048 14.8857 -110.577 GPRESSURE: 2445400 -151.44 131.48 -42.4227 62.3163 68.1245 -52.2719 76.0169 54.1654 -74.6365 PRESSAVG: 2445400 7.27295 -6.24536 4.84231 -6.24537 -25.1939 9.20773 4.84231 9.20773 -11.5629 GPRESSAVG: 2445400 6.52737 -5.37728 2.84484 -8.64699 -25.3307 7.99788 6.65953 9.36267 -10.6433 TIMING: 2445400 CPU: 7804.52, 0.00313831/step Wall: 7804.52, 0.00313831/step, 2.22698 hours remaining, 234.265625 MB of memory in use. ENERGY: 2445400 4017.4227 20445.6929 14398.8489 263.9866 -203962.1180 2806.5668 0.0000 0.0000 51892.4705 -110137.1296 298.2267 -162029.6001 -109772.7711 297.4195 -80.9509 -52.6508 760832.1671 -9.8279 -9.8155 PRESSURE: 2445600 191.55 -68.9708 -61.6777 -68.9716 -173.01 70.1214 -61.6773 70.1221 -257.285 GPRESSURE: 2445600 266.881 -140.319 21.8833 -65.3308 -92.6649 61.7183 -152.832 69.6825 -327.012 PRESSAVG: 2445600 -32.3713 -37.1641 2.18917 -37.1641 11.8415 -24.1808 2.18916 -24.1807 6.54515 GPRESSAVG: 2445600 -32.7573 -36.3392 3.94678 -38.1087 12.3823 -22.5718 -0.936355 -23.714 6.11228 TIMING: 2445600 CPU: 7805.15, 0.00314324/step Wall: 7805.15, 0.00314324/step, 2.2303 hours remaining, 234.265625 MB of memory in use. ENERGY: 2445600 4032.9469 20394.8704 14455.1856 232.0335 -204005.8568 2859.9934 0.0000 0.0000 51962.5624 -110068.2646 298.6296 -162030.8270 -109702.8989 297.6838 -79.5819 -50.9319 760687.1404 -4.6615 -4.7543 PRESSURE: 2445800 -199.409 -91.0016 -3.71913 -91.0021 -229.813 -6.53501 -3.72064 -6.5355 68.7404 GPRESSURE: 2445800 -248.644 126.546 -19.0777 -55.6214 -133.751 58.6287 -41.2287 -2.47266 115.119 PRESSAVG: 2445800 -21.2748 -19.1131 -27.7259 -19.1131 34.0516 -25.0967 -27.726 -25.0967 4.16261 GPRESSAVG: 2445800 -22.1712 -18.1061 -28.5379 -16.1692 35.1965 -26.6909 -26.5244 -27.2799 4.08244 TIMING: 2445800 CPU: 7805.78, 0.00313491/step Wall: 7805.78, 0.00313491/step, 2.22422 hours remaining, 234.265625 MB of memory in use. ENERGY: 2445800 4039.1393 20401.4912 14442.3429 256.8687 -203518.3714 2486.7834 0.0000 0.0000 51963.2230 -109928.5229 298.6334 -161891.7458 -109560.7855 298.2218 -120.1604 -89.0920 760727.9385 5.6465 5.7026 PRESSURE: 2446000 130.023 42.9703 313.195 42.9697 57.7394 29.737 313.196 29.7372 170.769 GPRESSURE: 2446000 153.157 -68.474 290.487 69.5392 129.373 48.7673 308.608 124.784 180.286 PRESSAVG: 2446000 12.8231 -17.4621 -8.98896 -17.4621 20.5707 1.02905 -8.989 1.02901 0.825832 GPRESSAVG: 2446000 12.818 -21.3905 -9.90732 -17.9829 20.233 0.534194 -7.88577 3.4638 1.02351 TIMING: 2446000 CPU: 7806.4, 0.00313145/step Wall: 7806.4, 0.00313145/step, 2.22159 hours remaining, 234.265625 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: 2446000 3982.9023 20320.4636 14467.5736 253.3768 -203551.3212 2561.0256 0.0000 0.0000 52017.8808 -109948.0986 298.9475 -161965.9794 -109576.7152 298.0792 119.5104 154.2723 759587.0304 11.4065 11.3581 PRESSURE: 2446200 -154.114 6.7556 12.008 6.75584 47.2332 163.962 12.0082 163.962 27.0963 GPRESSURE: 2446200 -81.3603 -95.3676 18.111 -15.9106 38.9664 42.3394 -2.52891 192.687 34.6746 PRESSAVG: 2446200 63.5539 -22.0248 22.7053 -22.0248 -37.5176 7.26457 22.7054 7.2646 -6.79791 GPRESSAVG: 2446200 63.1182 -21.109 23.3742 -22.8137 -37.0103 8.51154 20.9514 6.71924 -7.58126 TIMING: 2446200 CPU: 7807.03, 0.0031384/step Wall: 7807.03, 0.0031384/step, 2.22635 hours remaining, 234.265625 MB of memory in use. ENERGY: 2446200 3952.5917 20576.7013 14418.8608 253.0559 -203581.5105 2627.9228 0.0000 0.0000 51906.5610 -109845.8171 298.3077 -161752.3780 -109483.0798 297.9282 -26.5950 -2.5731 761298.9291 6.4128 6.1755 PRESSURE: 2446400 -98.0773 -53.9299 41.524 -53.93 -135.242 -172.749 41.5231 -172.75 -13.3897 GPRESSURE: 2446400 -73.1801 129.378 36.2293 -72.3497 -122.668 -76.9313 89.343 -193.955 34.5315 PRESSAVG: 2446400 -20.2662 -35.7984 48.2126 -35.7983 32.7289 -73.6596 48.2126 -73.6596 18.2992 GPRESSAVG: 2446400 -20.7843 -36.0024 49.0988 -36.5857 32.487 -72.6986 49.1563 -74.8106 19.6915 TIMING: 2446400 CPU: 7807.66, 0.00313467/step Wall: 7807.66, 0.00313467/step, 2.22352 hours remaining, 234.265625 MB of memory in use. ENERGY: 2446400 3996.0226 20522.3591 14512.2951 239.9427 -203492.6437 2373.9060 0.0000 0.0000 51814.1990 -110033.9191 297.7769 -161848.1181 -109678.2235 297.7108 -82.2365 -53.7723 761533.8444 10.2540 10.4648 PRESSURE: 2446600 3.22796 137.192 264.327 137.192 333.452 3.72132 264.327 3.72106 -230.758 GPRESSURE: 2446600 100.314 -23.9936 267.477 77.7363 266.805 97.8818 302.193 4.67081 -174.447 PRESSAVG: 2446600 -47.7255 -46.342 49.7564 -46.3419 31.2949 -30.3667 49.7564 -30.3666 4.62623 GPRESSAVG: 2446600 -46.07 -46.6796 49.0311 -45.8192 30.4303 -29.3636 51.1575 -29.7466 3.67452 TIMING: 2446600 CPU: 7808.28, 0.00313834/step Wall: 7808.28, 0.00313834/step, 2.22596 hours remaining, 234.265625 MB of memory in use. ENERGY: 2446600 4097.5586 20411.7434 14503.5481 235.1573 -203932.5781 2744.4289 0.0000 0.0000 52150.2848 -109789.8569 299.7084 -161940.1418 -109423.9485 297.7068 35.3071 64.2240 759620.7651 -3.9348 -3.9884 PRESSURE: 2446800 -260.823 -30.0985 -78.7941 -30.0977 240.058 -80.2716 -78.7938 -80.2717 -460.462 GPRESSURE: 2446800 -279.644 -47.3625 -119.599 -16.2805 264.352 -117.612 13.8816 -39.079 -386.157 PRESSAVG: 2446800 5.77894 -30.316 12.2082 -30.316 21.9507 -20.8294 12.2082 -20.8294 24.0721 GPRESSAVG: 2446800 6.98011 -29.3335 11.8465 -28.8886 21.6023 -22.4078 12.5189 -21.3276 23.0349 TIMING: 2446800 CPU: 7808.92, 0.00316021/step Wall: 7808.92, 0.00316022/step, 2.24129 hours remaining, 234.265625 MB of memory in use. ENERGY: 2446800 4040.1121 20486.0750 14475.5700 250.4541 -203621.4416 2751.4269 0.0000 0.0000 51836.2583 -109781.5452 297.9037 -161617.8035 -109428.9538 298.2534 -160.4090 -133.8163 759862.0265 17.2673 17.2057 PRESSURE: 2447000 -54.3564 104.522 249.87 104.522 -214.76 -364.461 249.87 -364.462 282.334 GPRESSURE: 2447000 -90.293 -8.36914 209.859 -9.948 -41.6617 -375.358 219.372 -196.656 226.001 PRESSAVG: 2447000 7.38885 -15.0894 -22.8462 -15.0894 -38.4492 -36.6433 -22.8462 -36.6434 -0.373207 GPRESSAVG: 2447000 6.78468 -16.5148 -23.0678 -15.3112 -38.2951 -37.0491 -23.1093 -34.7833 0.401496 TIMING: 2447000 CPU: 7809.55, 0.00315675/step Wall: 7809.55, 0.00315675/step, 2.23866 hours remaining, 234.265625 MB of memory in use. ENERGY: 2447000 4005.0276 20426.8863 14574.4927 265.9079 -203181.3069 2390.1160 0.0000 0.0000 51814.1370 -109704.7394 297.7766 -161518.8764 -109350.9447 298.7484 4.4059 31.3489 760561.6644 -10.4779 -10.3696 PRESSURE: 2447200 328.654 -48.8013 -260.756 -48.8018 152.866 -63.7359 -260.756 -63.7365 86.936 GPRESSURE: 2447200 250.948 -34.3186 -258.766 -87.8515 267.204 -48.7078 -159.326 -173.572 133.231 PRESSAVG: 2447200 -23.8969 -32.9617 35.6296 -32.9617 27.4115 -17.6304 35.6296 -17.6305 24.8353 GPRESSAVG: 2447200 -24.7255 -30.4057 36.5711 -34.5428 28.2366 -17.1949 34.4687 -19.4215 24.7736 TIMING: 2447200 CPU: 7810.18, 0.0031405/step Wall: 7810.18, 0.0031405/step, 2.22696 hours remaining, 234.265625 MB of memory in use. ENERGY: 2447200 3986.0557 20350.3194 14498.0490 264.9476 -203697.6754 2660.6058 0.0000 0.0000 52178.3573 -109759.3405 299.8697 -161937.6978 -109399.1331 298.7640 189.4854 217.1277 759106.0607 9.4500 9.4282 PRESSURE: 2447400 79.7526 90.1365 -110.518 90.1364 51.0082 207.872 -110.517 207.871 -179.456 GPRESSURE: 2447400 149.626 37.0597 -90.6718 145.794 -19.858 285.553 -40.4786 188.335 -88.6983 PRESSAVG: 2447400 68.1801 -52.4558 -3.69411 -52.4559 -32.0161 -6.82501 -3.6941 -6.82502 10.9911 GPRESSAVG: 2447400 67.9867 -53.5675 -3.70154 -48.6064 -32.1798 -6.90247 -3.99185 -6.1959 11.0039 TIMING: 2447400 CPU: 7810.81, 0.0031551/step Wall: 7810.81, 0.0031551/step, 2.23714 hours remaining, 234.265625 MB of memory in use. ENERGY: 2447400 3985.6799 20395.6895 14566.8511 236.0927 -203766.0312 2746.6478 0.0000 0.0000 52106.4901 -109728.5801 299.4567 -161835.0702 -109361.6290 298.5595 -16.2318 13.6898 759966.8135 15.7184 15.6036 PRESSURE: 2447600 -42.2528 113.258 -100.302 113.258 -23.7968 -126.147 -100.303 -126.147 -273.904 GPRESSURE: 2447600 -49.5332 31.436 -132.464 98.2209 28.4819 -32.7322 -23.1847 -23.239 -255.125 PRESSAVG: 2447600 89.9001 -19.3857 -20.2923 -19.3857 -62.5861 -9.59896 -20.2922 -9.59892 3.68664 GPRESSAVG: 2447600 90.3543 -18.3204 -20.4515 -21.0741 -63.3561 -9.05446 -19.343 -8.36212 3.54413 TIMING: 2447600 CPU: 7811.44, 0.00315246/step Wall: 7811.44, 0.00315246/step, 2.23509 hours remaining, 234.265625 MB of memory in use. ENERGY: 2447600 3974.2887 20490.5668 14484.6300 239.5291 -204078.6287 2795.1345 0.0000 0.0000 52045.6463 -110048.8334 299.1070 -162094.4797 -109689.3642 298.3316 -113.3177 -92.0588 760335.0599 10.3335 10.1808 PRESSURE: 2447800 -69.6429 -40.9003 7.50504 -40.9009 -347.553 60.5811 7.50561 60.581 -150.086 GPRESSURE: 2447800 -15.3888 51.4835 -39.971 39.875 -298.702 112.657 73.6305 12.3681 -173.11 PRESSAVG: 2447800 35.4639 21.2744 35.6048 21.2744 1.26701 -59.2913 35.6049 -59.2912 20.6546 GPRESSAVG: 2447800 34.8844 20.7409 38.0717 20.3692 0.912524 -61.018 35.3975 -60.8285 21.4313 TIMING: 2447800 CPU: 7812.07, 0.00314818/step Wall: 7812.07, 0.00314818/step, 2.23189 hours remaining, 234.265625 MB of memory in use. ENERGY: 2447800 4046.4172 20537.5069 14522.9018 246.4096 -203868.8484 2863.2544 0.0000 0.0000 51565.8258 -110086.5327 296.3495 -161652.3585 -109724.0652 297.9340 -189.0942 -162.4003 761634.0706 19.1285 19.0761 PRESSURE: 2448000 8.75675 -112.06 -69.7738 -112.061 302.732 65.933 -69.7728 65.9317 -63.4134 GPRESSURE: 2448000 192.312 -55.8164 -104.612 -135.201 223.686 40.6948 -97.2695 93.7312 -107.405 PRESSAVG: 2448000 30.4093 42.7545 -8.82687 42.7546 21.3711 29.706 -8.82687 29.706 -25.2765 GPRESSAVG: 2448000 30.7519 42.8315 -10.8878 43.091 21.3645 31.0528 -9.70686 29.7191 -25.8266 TIMING: 2448000 CPU: 7812.7, 0.00313857/step Wall: 7812.7, 0.00313857/step, 2.2249 hours remaining, 234.265625 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: 2448000 3978.2586 20526.2229 14393.2529 252.1434 -203719.9504 2856.1045 0.0000 0.0000 51797.3085 -109916.6595 297.6798 -161713.9680 -109556.3750 298.0461 82.6918 102.8644 761250.1113 8.8346 8.7633 PRESSURE: 2448200 310.103 81.9386 -201.976 81.9375 176.189 -293.212 -201.977 -293.212 123.247 GPRESSURE: 2448200 304.491 130.612 -125.659 113.285 228.09 -197.276 -199.838 -218.642 162.918 PRESSAVG: 2448200 -19.4972 -20.0045 -26.8905 -20.0045 -23.0166 1.03602 -26.8905 1.03609 6.16239 GPRESSAVG: 2448200 -19.6068 -21.1621 -27.3926 -20.6009 -22.2125 0.831593 -26.6278 0.542951 6.09521 TIMING: 2448200 CPU: 7813.32, 0.00314421/step Wall: 7813.32, 0.00314421/step, 2.22872 hours remaining, 234.265625 MB of memory in use. ENERGY: 2448200 4002.2161 20492.1736 14499.1979 241.6032 -203958.2025 2924.9354 0.0000 0.0000 51906.7549 -109891.3214 298.3088 -161798.0763 -109527.8348 298.5067 203.1797 231.8331 760123.1235 -12.1171 -11.9080 LDB: ============= START OF LOAD BALANCING ============== 7825.74 LDB: ============== END OF LOAD BALANCING =============== 7825.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7825.75 LDB: ============= START OF LOAD BALANCING ============== 7826.06 LDB: Largest compute 7032 load 0.033943 is 17.4% of average load 0.195395 LDB: Average compute 0.004408 is 2.3% of average load 0.195395 LDB: TIME 7826.06 LOAD: AVG 0.195395 MAX 0.214031 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.578 MB LDB: TIME 7826.06 LOAD: AVG 0.195395 MAX 0.214031 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.582 MB LDB: TIME 7826.06 LOAD: AVG 0.195395 MAX 0.214031 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.582 MB LDB: ============== END OF LOAD BALANCING =============== 7826.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7826.07 PRESSURE: 2448400 123.034 -116.004 181.591 -116.004 -177.705 17.8951 181.59 17.8947 -276.121 GPRESSURE: 2448400 58.8905 -95.4679 165.937 -81.0169 -135.695 62.6781 -1.21206 128.252 -199.612 PRESSAVG: 2448400 35.1925 -7.5266 -37.4144 -7.52662 -16.4029 -31.4287 -37.4145 -31.4286 7.82692 GPRESSAVG: 2448400 34.641 -6.2827 -36.6571 -9.04424 -16.711 -30.0242 -39.1868 -29.9256 8.43249 TIMING: 2448400 CPU: 7813.97, 0.00320537/step Wall: 7813.97, 0.00320537/step, 2.27189 hours remaining, 233.804688 MB of memory in use. ENERGY: 2448400 4101.1269 20594.2645 14506.1079 248.6466 -203637.7460 2815.0142 0.0000 0.0000 51765.8252 -109606.7607 297.4989 -161372.5859 -109258.8656 298.4366 -110.2639 -92.1388 762755.9163 8.8722 8.7875 PRESSURE: 2448600 6.39043 80.3196 -207.105 80.3194 130.651 115.684 -207.106 115.684 151.375 GPRESSURE: 2448600 116.505 57.2509 -116.094 22.6194 133.052 87.331 -245.169 98.8584 128.291 PRESSAVG: 2448600 -25.4161 5.11043 -16.4336 5.11045 -8.07592 -16.7022 -16.4336 -16.7022 31.1388 GPRESSAVG: 2448600 -23.8844 4.1754 -16.9449 8.54109 -9.18445 -19.5763 -14.9668 -15.3482 30.7392 TIMING: 2448600 CPU: 7814.59, 0.00314252/step Wall: 7814.59, 0.00314252/step, 2.22717 hours remaining, 234.007812 MB of memory in use. ENERGY: 2448600 4027.5792 20486.9756 14569.1025 259.8472 -203607.5780 2622.6521 0.0000 0.0000 52146.2641 -109495.1573 299.6853 -161641.4214 -109130.4795 298.7616 96.1389 125.9493 761131.8922 -0.7844 -0.7765 PRESSURE: 2448800 131.242 29.0076 230.493 29.0068 -36.0316 -74.7548 230.494 -74.7545 -5.72079 GPRESSURE: 2448800 120.061 -155.078 187.2 84.1848 20.0246 23.0211 131.69 -43.5514 45.5766 PRESSAVG: 2448800 -32.5776 -11.3669 -42.2194 -11.3668 17.6258 -20.0321 -42.2194 -20.032 8.88485 GPRESSAVG: 2448800 -32.7623 -10.7232 -43.1863 -13.3211 17.6288 -18.5774 -40.4938 -22.1479 9.39517 TIMING: 2448800 CPU: 7815.22, 0.00313855/step Wall: 7815.22, 0.00313855/step, 2.22419 hours remaining, 234.007812 MB of memory in use. ENERGY: 2448800 3975.7877 20555.0628 14468.3838 258.8762 -203725.8632 2903.6665 0.0000 0.0000 52230.3011 -109333.7851 300.1683 -161564.0862 -108965.8645 298.7619 29.8298 61.8874 761760.4583 -2.0223 -1.9128 PRESSURE: 2449000 138.405 46.6748 -129.75 46.6751 -224.742 113.121 -129.75 113.121 -14.0731 GPRESSURE: 2449000 132.39 65.7768 -197.908 74.8766 -171.427 51.9965 -112.573 118.207 39.8655 PRESSAVG: 2449000 59.3486 -31.6636 28.096 -31.6636 -11.1189 19.7079 28.096 19.7079 -1.43359 GPRESSAVG: 2449000 58.3346 -31.5276 30.7353 -32.6754 -11.0291 18.4443 23.9415 20.2869 -0.433034 TIMING: 2449000 CPU: 7815.85, 0.00313927/step Wall: 7815.85, 0.00313927/step, 2.22452 hours remaining, 234.007812 MB of memory in use. ENERGY: 2449000 4060.1704 20432.4032 14557.2585 241.9048 -203659.1488 2837.7909 0.0000 0.0000 52117.9432 -109411.6778 299.5225 -161529.6210 -109050.8226 299.0185 -33.4702 0.2761 761694.4085 15.5987 15.6241 PRESSURE: 2449200 -48.4957 238.837 -112.026 238.838 120.822 -101.81 -112.025 -101.809 -172.972 GPRESSURE: 2449200 -18.3516 227.424 -118.692 283.092 220.281 -21.9526 -159.409 -88.8748 -206.63 PRESSAVG: 2449200 -41.2429 -38.6064 -24.2915 -38.6064 12.3135 -30.6784 -24.2914 -30.6784 18.3855 GPRESSAVG: 2449200 -41.4615 -38.4969 -24.5982 -39.7664 13.7048 -30.3151 -21.8942 -31.3339 17.3934 TIMING: 2449200 CPU: 7816.48, 0.0031496/step Wall: 7816.48, 0.0031496/step, 2.23167 hours remaining, 234.007812 MB of memory in use. ENERGY: 2449200 4043.9976 20340.6206 14536.3127 233.4546 -203070.4956 2431.1262 0.0000 0.0000 52187.8436 -109297.1402 299.9243 -161484.9838 -108938.0186 298.9659 -33.5487 -1.5669 760994.1331 -3.5146 -3.4545 PRESSURE: 2449400 219.161 21.8067 -106.142 21.8069 68.3093 -216.335 -106.142 -216.335 162.862 GPRESSURE: 2449400 287.386 48.0596 -147.504 39.6569 84.6556 -147.509 -57.8499 -110.571 172.806 PRESSAVG: 2449400 -58.5221 -2.97212 -46.3002 -2.97213 57.5299 -33.5745 -46.3002 -33.5745 -2.36159 GPRESSAVG: 2449400 -57.3599 -4.96778 -47.3099 0.29468 55.294 -34.0902 -45.3047 -31.8926 -0.617596 TIMING: 2449400 CPU: 7817.11, 0.0031492/step Wall: 7817.11, 0.0031492/step, 2.23121 hours remaining, 234.007812 MB of memory in use. ENERGY: 2449400 4041.2141 20596.0935 14573.3719 247.5686 -203065.1929 2468.9643 0.0000 0.0000 52078.2764 -109059.7042 299.2946 -161137.9806 -108702.7656 299.7066 150.1110 181.6158 761531.0211 -1.1179 -0.8945 PRESSURE: 2449600 -345.318 207.367 73.6619 207.367 -94.5204 -165.41 73.6613 -165.41 273.386 GPRESSURE: 2449600 -222.797 140.141 77.4438 178.536 -124.474 -197.466 23.8819 -84.1271 267.543 PRESSAVG: 2449600 16.5113 -8.20145 -27.9066 -8.20145 -16.2019 -87.794 -27.9066 -87.794 31.6252 GPRESSAVG: 2449600 16.6241 -6.13187 -28.6145 -8.75879 -16.1709 -85.3182 -28.4708 -87.9863 31.3316 TIMING: 2449600 CPU: 7817.74, 0.00314818/step Wall: 7817.74, 0.00314818/step, 2.23031 hours remaining, 234.007812 MB of memory in use. ENERGY: 2449600 3997.2825 20612.6742 14513.5004 247.3742 -202874.6954 2494.8206 0.0000 0.0000 52033.0986 -108975.9449 299.0349 -161009.0435 -108612.9294 299.5346 -55.4839 -26.5761 763196.2561 10.6449 10.5949 PRESSURE: 2449800 331.38 -43.2683 211.803 -43.2676 411.701 211.582 211.803 211.581 230.733 GPRESSURE: 2449800 378.206 -99.4955 209.711 31.8034 463.341 251.745 95.7946 84.831 192.779 PRESSAVG: 2449800 4.8036 1.06747 -19.9377 1.06748 -5.35861 67.5375 -19.9377 67.5376 1.86713 GPRESSAVG: 2449800 4.29485 -0.662328 -19.4635 1.11836 -3.55784 68.271 -19.2745 66.1133 0.557618 TIMING: 2449800 CPU: 7818.37, 0.00314693/step Wall: 7818.37, 0.00314693/step, 2.22925 hours remaining, 234.007812 MB of memory in use. ENERGY: 2449800 3964.7702 20569.6980 14490.8426 239.3061 -203549.8575 2891.0277 0.0000 0.0000 52459.2638 -108934.9490 301.4841 -161394.2128 -108560.1820 299.9787 324.6050 344.7754 761241.4155 0.4374 0.4315 PRESSURE: 2450000 -111.696 132.219 -30.0347 132.218 -452.746 209.977 -30.0339 209.978 -362.966 GPRESSURE: 2450000 -92.1151 131.377 -122.128 149.79 -386.714 110.797 5.3837 224.489 -347.058 PRESSAVG: 2450000 -56.6895 -8.94679 12.0054 -8.94672 29.9005 -11.7511 12.0054 -11.7512 -12.977 GPRESSAVG: 2450000 -55.9914 -10.1731 11.2708 -9.69597 28.5534 -15.6546 11.0385 -10.9719 -11.9328 TIMING: 2450000 CPU: 7819, 0.00315537/step Wall: 7819, 0.00315537/step, 2.23505 hours remaining, 234.007812 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: 2450000 4013.9212 20632.7162 14545.8633 252.1240 -202852.2514 2345.5487 0.0000 0.0000 52284.6621 -108777.4159 300.4807 -161062.0780 -108431.4829 300.1404 -309.1360 -275.2957 762533.7553 -13.2554 -13.1236 PRESSURE: 2450200 -104.032 -68.487 18.2859 -68.4865 -191.476 -152.899 18.2859 -152.9 78.3942 GPRESSURE: 2450200 -114.638 -27.8554 24.8754 -168.578 -137.087 -188.594 12.0515 -126.358 102.529 PRESSAVG: 2450200 -52.0987 -7.42936 -50.1021 -7.42932 57.258 31.0505 -50.1021 31.0506 -8.31204 GPRESSAVG: 2450200 -51.9238 -4.94162 -47.9398 -6.47713 57.4863 32.358 -50.685 30.9694 -9.47345 TIMING: 2450200 CPU: 7819.63, 0.00315795/step Wall: 7819.63, 0.00315795/step, 2.23671 hours remaining, 234.007812 MB of memory in use. ENERGY: 2450200 3961.7917 20404.1275 14531.1813 269.4590 -202639.7049 2465.2771 0.0000 0.0000 52181.7276 -108826.1407 299.8891 -161007.8683 -108461.5545 300.0432 -72.3713 -49.7320 761036.9603 -1.0509 -1.3037 PRESSURE: 2450400 -339.602 -149.172 -260.07 -149.172 -149.757 265.374 -260.07 265.373 37.5473 GPRESSURE: 2450400 -295.569 -218.198 -291.563 -149.081 -147.052 194.373 -249.101 261.868 81.9358 PRESSAVG: 2450400 -3.35343 -3.59789 -12.1152 -3.5979 7.83193 10.9063 -12.1152 10.9062 -22.0543 GPRESSAVG: 2450400 -4.69683 -6.00809 -13.5183 -3.90126 8.54275 12.5283 -12.4801 11.3507 -21.3372 TIMING: 2450400 CPU: 7820.26, 0.00314743/step Wall: 7820.26, 0.00314743/step, 2.22908 hours remaining, 234.007812 MB of memory in use. ENERGY: 2450400 3969.2176 20662.2108 14550.9352 242.5553 -202452.4684 2213.3627 0.0000 0.0000 52045.8591 -108768.3277 299.1083 -160814.1868 -108407.9290 300.0147 -150.6039 -120.2286 762315.1987 -5.8586 -5.8304 PRESSURE: 2450600 -319.327 -128.403 -102.858 -128.403 -276.543 -211.761 -102.859 -211.76 -129.62 GPRESSURE: 2450600 -206.332 -118.456 -89.1829 5.9347 -328.438 -206.053 14.5962 -227.608 -91.484 PRESSAVG: 2450600 -19.4357 -71.1034 -30.1491 -71.1034 18.3952 23.3924 -30.149 23.3924 19.8774 GPRESSAVG: 2450600 -20.4852 -68.3736 -30.564 -71.2789 19.9867 21.8078 -28.9515 25.2237 19.5068 TIMING: 2450600 CPU: 7820.89, 0.00315122/step Wall: 7820.89, 0.00315122/step, 2.23159 hours remaining, 234.007812 MB of memory in use. ENERGY: 2450600 4023.5222 20337.7649 14491.2557 264.7481 -202936.8363 2540.8424 0.0000 0.0000 52142.6786 -109136.0243 299.6647 -161278.7029 -108763.5806 299.8207 -241.8300 -208.7512 763270.0301 6.2790 6.3361 PRESSURE: 2450800 97.1197 -67.3472 -128.431 -67.3479 -35.7121 -64.0996 -128.432 -64.1004 11.2789 GPRESSURE: 2450800 195.239 -86.2456 -126.667 -108.132 52.1831 -81.6984 -102.603 1.70825 -75.3794 PRESSAVG: 2450800 -45.1575 -13.8994 34.0915 -13.8993 39.762 19.8472 34.0915 19.8472 -17.6975 GPRESSAVG: 2450800 -44.0785 -13.006 35.1045 -16.4093 39.2352 19.8739 33.9896 18.4088 -18.108 TIMING: 2450800 CPU: 7821.52, 0.00313564/step Wall: 7821.52, 0.00313564/step, 2.22038 hours remaining, 234.007812 MB of memory in use. ENERGY: 2450800 4108.5513 20481.7111 14484.4560 247.5018 -203279.0641 2796.0507 0.0000 0.0000 52091.4880 -109069.3054 299.3705 -161160.7934 -108708.0089 299.9399 24.2288 57.3475 762207.8571 -7.6977 -7.6504 PRESSURE: 2451000 -168.568 -54.8884 92.0878 -54.8884 -395.494 236.264 92.0878 236.265 95.36 GPRESSURE: 2451000 -74.2452 -76.6134 63.7792 43.6068 -425.313 219.892 -45.7545 140.251 107.978 PRESSAVG: 2451000 -7.9879 -31.6194 -64.0634 -31.6194 3.17566 44.6733 -64.0633 44.6731 16.7843 GPRESSAVG: 2451000 -8.31417 -33.1624 -65.3974 -30.6461 2.63414 45.529 -65.7154 43.2617 16.9935 TIMING: 2451000 CPU: 7822.15, 0.00314726/step Wall: 7822.15, 0.00314726/step, 2.22843 hours remaining, 234.007812 MB of memory in use. ENERGY: 2451000 3970.4507 20604.2140 14503.1072 246.6631 -202970.1242 2321.6771 0.0000 0.0000 52291.6884 -109032.3237 300.5211 -161324.0120 -108671.7092 299.5954 -156.2341 -130.5268 762273.2652 3.9907 3.7712 PRESSURE: 2451200 -57.8619 -192.598 -35.8189 -192.599 -95.6915 -123.624 -35.8186 -123.623 289.1 GPRESSURE: 2451200 -55.3512 -188.934 -23.067 -180.074 4.8093 -237.106 65.4697 -99.2552 277.704 PRESSAVG: 2451200 -17.571 -78.5671 31.1753 -78.5671 1.10405 3.48772 31.1753 3.4877 -19.5713 GPRESSAVG: 2451200 -16.9401 -78.4234 32.9917 -79.4948 -0.471695 2.96187 30.4834 3.1403 -18.7368 TIMING: 2451200 CPU: 7822.78, 0.00314302/step Wall: 7822.78, 0.00314302/step, 2.22526 hours remaining, 234.007812 MB of memory in use. ENERGY: 2451200 3958.3078 20637.5704 14478.5907 252.6431 -203247.8080 2480.1039 0.0000 0.0000 52142.8100 -109297.7821 299.6654 -161440.5921 -108943.4531 299.5354 45.1822 75.7207 761588.0782 -12.0127 -12.0495 PRESSURE: 2451400 63.5911 -75.1777 33.1374 -75.1772 265.256 -245.48 33.1368 -245.481 164.778 GPRESSURE: 2451400 62.4597 44.7859 -55.3299 -77.7172 342.54 -145.692 105.214 -207.006 185.734 PRESSAVG: 2451400 12.7504 -70.1109 77.7292 -70.1109 -7.71236 -32.891 77.7291 -32.891 6.2639 GPRESSAVG: 2451400 13.1527 -70.0411 78.0214 -67.9951 -7.27435 -31.3644 80.5853 -33.9607 5.77916 TIMING: 2451400 CPU: 7823.41, 0.00316741/step Wall: 7823.41, 0.00316741/step, 2.24235 hours remaining, 234.007812 MB of memory in use. ENERGY: 2451400 4007.6004 20421.7243 14494.9429 247.1320 -203497.7848 2787.1609 0.0000 0.0000 52465.6215 -109073.6030 301.5206 -161539.2245 -108699.9780 299.4852 164.5418 196.9115 761648.4757 3.7673 3.8858 PRESSURE: 2451600 -19.8873 -277.471 -36.6719 -277.472 218.775 139.323 -36.6714 139.323 -249.654 GPRESSURE: 2451600 8.43769 -321.007 -57.4695 -147.848 266.493 147.882 10.6857 96.2002 -243.357 PRESSAVG: 2451600 10.975 -8.39518 75.2806 -8.39524 13.1325 -38.1162 75.2805 -38.1162 -22.4664 GPRESSAVG: 2451600 9.33424 -7.38951 73.4166 -10.9493 14.6554 -39.5344 72.5074 -34.2831 -22.8481 TIMING: 2451600 CPU: 7824.04, 0.00317709/step Wall: 7824.04, 0.00317709/step, 2.24903 hours remaining, 234.007812 MB of memory in use. ENERGY: 2451600 4067.4647 20574.1287 14478.1431 250.3519 -202911.9198 2504.0612 0.0000 0.0000 52092.4745 -108945.2957 299.3762 -161037.7702 -108588.6206 300.0288 -16.9219 10.5247 760072.7298 0.5471 0.3805 PRESSURE: 2451800 24.7283 24.6559 352.091 24.6556 382.66 -114.149 352.092 -114.149 130.798 GPRESSURE: 2451800 126.366 46.7018 330.657 51.1544 348.416 -157.418 298.458 -36.1041 160.02 PRESSAVG: 2451800 49.5562 -20.0652 0.315745 -20.0651 -23.3479 11.8525 0.31578 11.8525 1.54249 GPRESSAVG: 2451800 48.7946 -21.3697 0.163337 -17.9127 -23.197 12.7755 1.66427 10.2587 1.57147 TIMING: 2451800 CPU: 7824.67, 0.00314341/step Wall: 7824.67, 0.00314341/step, 2.22501 hours remaining, 234.007812 MB of memory in use. ENERGY: 2451800 3924.8149 20545.0190 14414.0998 252.4782 -203475.6369 2769.8837 0.0000 0.0000 52464.3148 -109105.0264 301.5131 -161569.3413 -108735.6642 300.2856 179.3954 211.6008 761697.4394 9.2503 9.0563 PRESSURE: 2452000 -45.8147 90.2019 275.193 90.202 76.7158 -121.044 275.193 -121.044 151.026 GPRESSURE: 2452000 77.851 42.6292 210.754 22.4261 37.8511 -172.119 166.07 -61.677 168.647 PRESSAVG: 2452000 -1.60303 -38.7967 75.5794 -38.7967 -12.9582 29.0639 75.5794 29.064 4.57649 GPRESSAVG: 2452000 -1.20929 -37.1267 75.7599 -39.347 -13.2903 29.4164 76.7747 27.9694 4.7253 TIMING: 2452000 CPU: 7825.3, 0.00313006/step Wall: 7825.3, 0.00313006/step, 2.21539 hours remaining, 234.007812 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: 2452000 4013.5930 20650.6258 14421.9355 261.8555 -203622.0993 2815.9191 0.0000 0.0000 52332.8909 -109125.2794 300.7578 -161458.1703 -108768.1029 300.1830 60.6424 94.7830 760286.5334 -3.3283 -3.2581 PRESSURE: 2452200 -248.419 -177.219 104.572 -177.22 -142.92 -279.866 104.573 -279.868 464.135 GPRESSURE: 2452200 -217.818 -16.6947 81.485 -36.142 -47.1898 -156.739 116.193 -156.75 425.673 PRESSAVG: 2452200 15.2425 -20.6233 -23.0161 -20.6233 10.2911 -40.2295 -23.0161 -40.2296 -14.7887 GPRESSAVG: 2452200 16.3513 -22.0592 -22.4302 -20.5573 9.89419 -41.4537 -24.2818 -39.3527 -15.1007 TIMING: 2452200 CPU: 7825.93, 0.00314796/step Wall: 7825.93, 0.00314796/step, 2.22788 hours remaining, 234.007812 MB of memory in use. ENERGY: 2452200 3923.3237 20616.4116 14359.0666 245.3421 -203119.6512 2362.3489 0.0000 0.0000 52424.5093 -109188.6489 301.2844 -161613.1582 -108824.3259 300.1849 24.2652 53.5550 761666.7981 3.5816 3.7149 LDB: ============= START OF LOAD BALANCING ============== 7838.35 LDB: ============== END OF LOAD BALANCING =============== 7838.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7838.35 LDB: ============= START OF LOAD BALANCING ============== 7838.67 LDB: Largest compute 7069 load 0.034059 is 17.4% of average load 0.195427 LDB: Average compute 0.004392 is 2.2% of average load 0.195427 LDB: TIME 7838.67 LOAD: AVG 0.195427 MAX 0.214682 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.273 MB LDB: TIME 7838.67 LOAD: AVG 0.195427 MAX 0.214682 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.277 MB LDB: TIME 7838.67 LOAD: AVG 0.195427 MAX 0.214682 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.277 MB LDB: ============== END OF LOAD BALANCING =============== 7838.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7838.68 PRESSURE: 2452400 289.114 -25.6709 -78.0883 -25.6702 34.4969 -24.8703 -78.0866 -24.8697 -176.126 GPRESSURE: 2452400 237.752 -164.378 -71.5529 67.006 170.067 94.6826 -35.1198 -126.482 -181.434 PRESSAVG: 2452400 14.4088 -15.031 29.5203 -15.031 -5.46933 -63.3373 29.5204 -63.3374 -3.77018 GPRESSAVG: 2452400 13.6531 -17.1945 29.7187 -14.348 -4.14188 -61.0594 29.7776 -62.8599 -3.99513 TIMING: 2452400 CPU: 7826.57, 0.00322324/step Wall: 7826.57, 0.00322323/step, 2.28098 hours remaining, 233.351562 MB of memory in use. ENERGY: 2452400 3978.2162 20410.5983 14439.0120 244.4427 -202747.2477 2302.1831 0.0000 0.0000 51993.9844 -109378.8110 298.8101 -161372.7954 -109015.6927 299.8040 49.1615 75.4617 761668.7841 1.7231 1.8387 PRESSURE: 2452600 340.092 13.1948 233.79 13.1942 167.243 0.872673 233.79 0.872108 -70.9624 GPRESSURE: 2452600 253.442 -68.2591 165.648 18.9395 293.982 15.2651 168.258 -117.03 -20.3446 PRESSAVG: 2452600 -86.4214 -19.0912 83.2125 -19.0913 8.66496 -11.1761 83.2125 -11.176 -11.0289 GPRESSAVG: 2452600 -85.9418 -16.2694 83.4752 -21.6862 8.29559 -12.7369 81.9164 -14.6492 -10.703 TIMING: 2452600 CPU: 7827.2, 0.00313719/step Wall: 7827.2, 0.00313719/step, 2.21991 hours remaining, 233.421875 MB of memory in use. ENERGY: 2452600 3984.2663 20395.4970 14443.9647 265.5239 -203027.2334 2533.9563 0.0000 0.0000 52086.4116 -109317.6137 299.3413 -161404.0253 -108949.7943 299.2304 145.4576 175.6932 761698.4850 -29.5951 -29.4497 PRESSURE: 2452800 -64.9546 -89.5566 -308.95 -89.5567 97.7637 -165.11 -308.95 -165.11 -94.2406 GPRESSURE: 2452800 133.86 -205.544 -296.157 -58.5154 34.555 -167.609 -349.4 -27.5283 -145.252 PRESSAVG: 2452800 -2.2546 -95.3484 -14.1134 -95.3484 33.4778 -4.02973 -14.1133 -4.02967 -16.3856 GPRESSAVG: 2452800 -1.22552 -94.9359 -12.4828 -95.0254 32.8582 -5.16109 -13.843 -0.421801 -17.1619 TIMING: 2452800 CPU: 7827.83, 0.0031347/step Wall: 7827.83, 0.0031347/step, 2.21798 hours remaining, 233.421875 MB of memory in use. ENERGY: 2452800 3957.1717 20739.0791 14370.9711 255.0852 -203621.1127 2602.9128 0.0000 0.0000 52287.2249 -109408.6679 300.4954 -161695.8928 -109038.9288 299.1432 -20.4772 7.7212 761948.7779 4.9459 4.8236 PRESSURE: 2453000 -552.531 -301.022 66.0921 -301.021 -10.7088 -140.201 66.0915 -140.2 -133.656 GPRESSURE: 2453000 -459.433 -283.489 31.0565 -302.524 -37.9963 -150.039 46.3829 -16.2 -104.829 PRESSAVG: 2453000 -23.1244 -23.4615 -7.65504 -23.4615 -5.02042 -21.3586 -7.65509 -21.3586 -27.9082 GPRESSAVG: 2453000 -23.7007 -22.4304 -9.38404 -22.3447 -3.72594 -19.9889 -5.45761 -19.9074 -28.0412 TIMING: 2453000 CPU: 7828.46, 0.00315158/step Wall: 7828.46, 0.00315158/step, 2.22974 hours remaining, 233.421875 MB of memory in use. ENERGY: 2453000 4132.6922 20554.5753 14377.3116 252.9640 -202903.5199 2243.2811 0.0000 0.0000 52150.4605 -109192.2352 299.7094 -161342.6957 -108823.2316 299.9678 -232.2987 -200.7528 763179.0820 -18.6843 -18.4893 PRESSURE: 2453200 -28.6283 141.205 32.5039 141.206 -76.3472 39.333 32.5049 39.3334 81.2223 GPRESSURE: 2453200 76.0959 186.859 2.20671 135.307 -64.3276 -5.8198 -35.6713 -101.772 48.1939 PRESSAVG: 2453200 -28.9307 -24.5188 23.866 -24.5187 22.4621 25.7249 23.866 25.7249 7.54567 GPRESSAVG: 2453200 -28.7087 -27.0453 23.4367 -25.8025 21.8394 25.4346 22.4389 23.6407 8.39894 TIMING: 2453200 CPU: 7829.08, 0.00312606/step Wall: 7829.08, 0.00312606/step, 2.21151 hours remaining, 233.421875 MB of memory in use. ENERGY: 2453200 3987.3630 20707.7179 14484.4126 238.9732 -203263.5370 2395.1642 0.0000 0.0000 52367.3577 -109082.5484 300.9559 -161449.9061 -108725.2419 300.2347 -7.9177 19.9874 761785.8320 0.3590 0.5099 PRESSURE: 2453400 -96.875 -300.121 68.9804 -300.12 -524.983 137.349 68.9806 137.35 -399.14 GPRESSURE: 2453400 -45.361 -212.462 -39.1193 -115.856 -514.818 187.782 76.7115 85.6026 -370.228 PRESSAVG: 2453400 30.3029 -41.4647 -3.08882 -41.4647 4.83186 10.671 -3.08882 10.671 -1.19369 GPRESSAVG: 2453400 30.4856 -39.004 -3.295 -38.618 4.24323 11.2355 -1.96031 9.73992 -0.553429 TIMING: 2453400 CPU: 7829.71, 0.00315869/step Wall: 7829.71, 0.00315869/step, 2.23442 hours remaining, 233.421875 MB of memory in use. ENERGY: 2453400 4093.6376 20736.0432 14516.4598 219.3078 -203182.5932 2290.6777 0.0000 0.0000 52222.5885 -109103.8788 300.1239 -161326.4673 -108746.8127 300.4007 -340.3328 -310.1355 761830.4808 11.3137 11.3918 PRESSURE: 2453600 68.8819 -139.517 70.2316 -139.517 86.4119 -258.719 70.2312 -258.719 159.062 GPRESSURE: 2453600 118.914 -96.505 72.0603 -167.691 100.752 -225.347 154.316 -164.302 168.046 PRESSAVG: 2453600 -12.1928 -15.5646 -10.9512 -15.5646 1.34547 -20.1251 -10.9511 -20.1251 -15.9313 GPRESSAVG: 2453600 -11.5885 -17.0026 -10.8144 -17.57 0.20003 -20.5896 -9.63643 -18.0469 -15.4434 TIMING: 2453600 CPU: 7830.34, 0.00312918/step Wall: 7830.34, 0.00312918/step, 2.21338 hours remaining, 233.421875 MB of memory in use. ENERGY: 2453600 4034.1659 20485.8094 14431.5103 263.5491 -203571.8347 2782.3639 0.0000 0.0000 52295.9402 -109278.4959 300.5455 -161574.4360 -108909.9914 299.7435 104.7854 129.2372 760745.5621 -8.9262 -8.9439 PRESSURE: 2453800 -162.994 -17.2003 174.486 -17.2005 319.129 -35.7042 174.485 -35.7034 104.509 GPRESSURE: 2453800 -88.3142 -9.02772 161.412 -26.7519 303.022 -38.4881 99.71 87 133.278 PRESSAVG: 2453800 -47.4869 -30.0208 -35.1658 -30.0208 26.7122 13.1076 -35.1658 13.1076 20.8974 GPRESSAVG: 2453800 -47.6218 -29.3412 -36.4334 -28.9793 27.6195 11.4843 -35.9348 14.8561 19.9602 TIMING: 2453800 CPU: 7830.97, 0.00314422/step Wall: 7830.97, 0.00314422/step, 2.22384 hours remaining, 233.421875 MB of memory in use. ENERGY: 2453800 4069.5435 20643.3060 14401.0606 236.3385 -203343.4923 2550.7172 0.0000 0.0000 52129.1873 -109313.3392 299.5872 -161442.5265 -108953.8102 299.4388 86.8811 115.9952 761680.4401 0.0409 -0.0141 PRESSURE: 2454000 -105.547 -154.142 -43.4669 -154.142 -22.3691 5.65658 -43.4664 5.65741 -95.0873 GPRESSURE: 2454000 -20.9864 -241.905 -116.275 -110.882 -15.9079 -28.5861 -132.811 8.70135 -81.7616 PRESSAVG: 2454000 -23.4267 -48.0684 40.6475 -48.0684 -0.235705 -6.88315 40.6475 -6.88317 -8.56056 GPRESSAVG: 2454000 -22.0546 -47.2133 41.3532 -49.0717 -1.07712 -6.38843 39.3248 -9.58018 -8.63245 TIMING: 2454000 CPU: 7831.6, 0.0031462/step Wall: 7831.6, 0.0031462/step, 2.22506 hours remaining, 233.421875 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: 2454000 3994.5906 20528.2146 14357.4463 253.2752 -203097.2727 2513.2960 0.0000 0.0000 52129.9938 -109320.4562 299.5918 -161450.4499 -108950.9496 299.2599 -74.3344 -39.5520 760103.1909 -10.7410 -10.5881 PRESSURE: 2454200 -9.07036 -244.46 -62.6612 -244.461 102.436 139.415 -62.6602 139.415 -249.779 GPRESSURE: 2454200 39.6248 -204.426 9.91471 -148.169 82.7994 31.4463 78.9482 91.1238 -193.516 PRESSAVG: 2454200 -17.261 -36.7454 47.4282 -36.7454 -13.752 -10.468 47.4282 -10.468 -12.0753 GPRESSAVG: 2454200 -18.1133 -39.4555 47.919 -36.4332 -12.751 -10.1949 45.3076 -7.24445 -12.7096 TIMING: 2454200 CPU: 7832.22, 0.00312993/step Wall: 7832.22, 0.00312993/step, 2.21338 hours remaining, 233.421875 MB of memory in use. ENERGY: 2454200 4086.8900 20564.2010 14417.8258 253.5800 -203185.6319 2577.8190 0.0000 0.0000 52029.3340 -109255.9820 299.0133 -161285.3160 -108891.4969 299.8167 -52.1379 -23.6972 760885.4580 -14.3628 -14.5246 PRESSURE: 2454400 178.798 65.3689 -42.5705 65.3688 1.71207 151.883 -42.5699 151.883 -80.7742 GPRESSURE: 2454400 142.663 141.699 16.1985 74.3439 126.817 80.7317 -31.4218 9.18026 -89.0293 PRESSAVG: 2454400 -50.9639 -31.6425 -17.2726 -31.6425 43.8372 4.53339 -17.2727 4.53338 7.34565 GPRESSAVG: 2454400 -51.2704 -30.7114 -17.0191 -31.5932 43.4871 5.90963 -13.8603 -0.373231 8.14192 TIMING: 2454400 CPU: 7832.85, 0.00312959/step Wall: 7832.85, 0.00312959/step, 2.21297 hours remaining, 233.421875 MB of memory in use. ENERGY: 2454400 3990.9674 20512.4144 14453.0549 262.5564 -203298.7954 2507.0636 0.0000 0.0000 52310.2321 -109262.5067 300.6276 -161572.7387 -108892.2334 299.8539 33.2451 60.1503 760107.5438 0.0730 0.1195 PRESSURE: 2454600 -122.844 94.9051 75.2731 94.9042 349.231 -134.24 75.2736 -134.24 -132.683 GPRESSURE: 2454600 -24.4472 111.744 94.6531 92.3529 226.215 -56.4992 -30.8621 -112.679 -23.3283 PRESSAVG: 2454600 -38.4622 -37.3255 24.4261 -37.3256 53.6519 -5.16375 24.4261 -5.16373 4.60057 GPRESSAVG: 2454600 -38.3286 -38.1918 25.4726 -36.6047 53.6477 -4.52048 23.035 -4.06012 3.94891 TIMING: 2454600 CPU: 7833.48, 0.00314944/step Wall: 7833.48, 0.00314944/step, 2.22683 hours remaining, 233.421875 MB of memory in use. ENERGY: 2454600 3987.8862 20579.2339 14444.8935 239.1800 -203306.8933 2598.5519 0.0000 0.0000 52276.0263 -109181.1216 300.4310 -161457.1479 -108818.1222 299.8500 31.2348 59.4798 761043.4754 6.5967 6.4227 PRESSURE: 2454800 502.946 -352.419 -10.8532 -352.42 452.34 -57.1492 -10.8529 -57.1481 -116.839 GPRESSURE: 2454800 481.715 -295.261 6.12843 -426.899 531.58 -71.7914 65.7705 -38.5427 -101.968 PRESSAVG: 2454800 -58.5747 -75.153 -29.1142 -75.153 38.1374 -41.2907 -29.1142 -41.2909 4.85552 GPRESSAVG: 2454800 -59.1192 -73.9788 -29.3875 -74.5532 38.3016 -44.2398 -28.3683 -41.1526 4.97672 TIMING: 2454800 CPU: 7834.11, 0.00315413/step Wall: 7834.11, 0.00315413/step, 2.22997 hours remaining, 233.421875 MB of memory in use. ENERGY: 2454800 3970.5766 20679.9490 14418.3585 265.6944 -203306.0964 2607.2292 0.0000 0.0000 51925.1994 -109439.0892 298.4148 -161364.2885 -109080.8378 300.0030 279.4823 303.7760 762023.3464 -5.1939 -5.2803 PRESSURE: 2455000 216.618 -73.0955 -107.157 -73.0957 22.7214 -68.9679 -107.156 -68.9672 -84.9989 GPRESSURE: 2455000 207.82 3.62892 -34.8538 -29.1929 31.2921 -86.4368 -250.978 -69.4991 1.45049 PRESSAVG: 2455000 11.2984 -18.1134 -11.165 -18.1134 -38.2547 -14.1731 -11.1651 -14.1731 0.083868 GPRESSAVG: 2455000 11.0432 -19.7285 -11.5999 -18.3062 -38.6194 -14.0703 -9.36004 -13.0904 0.330954 TIMING: 2455000 CPU: 7834.74, 0.00315509/step Wall: 7834.74, 0.00315509/step, 2.23047 hours remaining, 233.421875 MB of memory in use. ENERGY: 2455000 4009.2337 20561.2880 14384.4134 251.9840 -203358.8844 2794.8728 0.0000 0.0000 52111.5207 -109245.5718 299.4856 -161357.0926 -108887.2866 299.1256 51.4468 80.1875 760707.5863 -8.9575 -9.0817 PRESSURE: 2455200 -70.8891 -91.3836 95.0586 -91.3828 -299.417 121.636 95.0593 121.636 117.503 GPRESSURE: 2455200 -76.2071 -165.017 19.6492 4.03871 -249.79 66.7458 95.114 158.069 149.945 PRESSAVG: 2455200 -6.87694 -38.2415 -5.03138 -38.2414 16.5193 30.0518 -5.03138 30.0518 14.3819 GPRESSAVG: 2455200 -7.73354 -37.5122 -4.98029 -40.9329 17.4779 31.8287 -7.31989 29.8011 14.3422 TIMING: 2455200 CPU: 7835.38, 0.00316759/step Wall: 7835.38, 0.00316759/step, 2.23913 hours remaining, 233.421875 MB of memory in use. ENERGY: 2455200 3958.4994 20586.4338 14401.3064 241.7885 -203086.7846 2345.5348 0.0000 0.0000 52179.0702 -109374.1516 299.8738 -161553.2218 -109012.8921 299.9100 -84.2676 -58.6839 760032.8866 8.0081 8.0289 PRESSURE: 2455400 -385.329 -20.6865 -103.776 -20.6871 127.555 -3.86955 -103.776 -3.8701 -67.6658 GPRESSURE: 2455400 -248.892 12.472 -15.153 -109.865 105.202 -25.8082 -132.12 -119.149 -90.803 PRESSAVG: 2455400 -76.4526 -34.9005 -0.589485 -34.9005 60.1098 7.74111 -0.589529 7.74105 -6.19675 GPRESSAVG: 2455400 -74.1661 -33.7725 -0.621613 -32.2215 58.8904 8.12674 0.59448 5.55849 -7.5648 TIMING: 2455400 CPU: 7836.01, 0.00314905/step Wall: 7836.01, 0.00314905/step, 2.22586 hours remaining, 233.421875 MB of memory in use. ENERGY: 2455400 3987.5757 20587.7640 14462.6012 236.5951 -203313.4594 2429.3735 0.0000 0.0000 52244.6383 -109364.9116 300.2507 -161609.5499 -109001.2963 299.7096 -108.4801 -78.1643 760833.9262 -7.5132 -7.6135 PRESSURE: 2455600 266.749 -112.064 -135.254 -112.064 215.561 96.8474 -135.255 96.8466 251.314 GPRESSURE: 2455600 304.993 -181.566 -134.323 -80.9303 245.473 46.2747 -265.982 257.806 272.727 PRESSAVG: 2455600 -55.3448 -25.0646 21.7795 -25.0645 47.3059 43.2443 21.7795 43.2443 2.43945 GPRESSAVG: 2455600 -56.9454 -28.2397 20.7334 -26.7496 47.2979 40.3338 22.7069 46.808 3.94864 TIMING: 2455600 CPU: 7836.64, 0.00314813/step Wall: 7836.64, 0.00314813/step, 2.22503 hours remaining, 233.421875 MB of memory in use. ENERGY: 2455600 4001.6058 20612.5241 14462.9415 240.3253 -203410.6618 2715.4446 0.0000 0.0000 52002.9904 -109374.8302 298.8619 -161377.8206 -109016.8311 299.3614 244.5414 274.3974 759774.2489 -1.8665 -1.8996 PRESSURE: 2455800 -216.541 -29.6357 241.618 -29.6358 -171.891 180.959 241.619 180.959 29.3188 GPRESSURE: 2455800 -191.02 0.550269 227.647 -32.0085 -158.597 234.757 166.7 209.681 75.4187 PRESSAVG: 2455800 -23.0788 -22.6423 5.6301 -22.6423 22.6613 76.4766 5.63009 76.4767 24.2096 GPRESSAVG: 2455800 -21.9686 -20.5025 6.83229 -21.9331 22.3707 77.811 4.88205 77.3902 23.6776 TIMING: 2455800 CPU: 7837.26, 0.00314562/step Wall: 7837.26, 0.00314562/step, 2.22308 hours remaining, 233.421875 MB of memory in use. ENERGY: 2455800 4095.2616 20600.5593 14419.3630 234.8572 -203243.7732 2627.9234 0.0000 0.0000 51792.1431 -109473.6656 297.6502 -161265.8087 -109122.0905 299.9003 -119.7043 -91.3996 761455.3904 7.9307 8.0266 PRESSURE: 2456000 273.423 -256.602 144.907 -256.602 439.259 57.6394 144.907 57.6385 -547 GPRESSURE: 2456000 262.439 -152.74 128.622 -339.65 425.301 42.5642 86.8477 16.5213 -427.413 PRESSAVG: 2456000 7.47104 -43.4585 12.9299 -43.4585 -8.30895 25.9913 12.9299 25.9913 -5.05328 GPRESSAVG: 2456000 6.85948 -42.9851 13.0044 -43.3218 -8.07023 25.5906 11.3187 23.6751 -4.20807 TIMING: 2456000 CPU: 7837.89, 0.0031379/step Wall: 7837.89, 0.0031379/step, 2.21745 hours remaining, 233.421875 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: 2456000 3995.0824 20583.0488 14481.2266 237.0726 -203430.5287 2634.4125 0.0000 0.0000 52138.0840 -109361.6019 299.6383 -161499.6859 -108993.1807 298.9850 55.2274 86.7752 759581.7303 -1.9637 -1.8063 PRESSURE: 2456200 -482.544 -80.0414 34.7263 -80.0412 40.839 48.4518 34.7266 48.4529 -280.427 GPRESSURE: 2456200 -482.148 -153.751 119.234 -4.11068 115.885 44.5552 -58.7452 115.337 -291.881 PRESSAVG: 2456200 -29.0101 -40.2501 -32.5731 -40.2501 40.0988 14.9733 -32.5731 14.9733 -8.20913 GPRESSAVG: 2456200 -30.2791 -42.2374 -31.5541 -39.4957 41.0775 16.3623 -31.7438 13.9976 -8.37511 TIMING: 2456200 CPU: 7838.52, 0.00314449/step Wall: 7838.52, 0.00314449/step, 2.22193 hours remaining, 233.421875 MB of memory in use. ENERGY: 2456200 3931.5719 20599.4571 14501.8322 244.0868 -203140.3996 2377.5735 0.0000 0.0000 52057.0899 -109428.7881 299.1728 -161485.8780 -109066.7559 299.2207 -240.7106 -219.3812 761469.8322 0.9598 0.8077 LDB: ============= START OF LOAD BALANCING ============== 7850.94 LDB: ============== END OF LOAD BALANCING =============== 7850.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7850.94 LDB: ============= START OF LOAD BALANCING ============== 7851.26 LDB: Largest compute 7031 load 0.034417 is 17.6% of average load 0.195378 LDB: Average compute 0.004380 is 2.2% of average load 0.195378 LDB: TIME 7851.26 LOAD: AVG 0.195378 MAX 0.213984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 7851.26 LOAD: AVG 0.195378 MAX 0.213984 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 7851.26 LOAD: AVG 0.195378 MAX 0.213984 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 7851.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.27 PRESSURE: 2456400 65.345 -162.957 348.976 -162.957 -47.7578 104.566 348.977 104.567 -70.1428 GPRESSURE: 2456400 5.34223 -165.877 410.933 11.447 41.6308 162.452 395.899 115.752 -19.49 PRESSAVG: 2456400 -33.0144 -12.0473 4.46822 -12.0473 4.95647 -34.3741 4.4682 -34.374 10.3691 GPRESSAVG: 2456400 -31.5091 -9.75766 3.52075 -14.3509 3.63659 -33.2995 3.43163 -32.9624 10.3237 TIMING: 2456400 CPU: 7839.16, 0.00319652/step Wall: 7839.16, 0.00319652/step, 2.25852 hours remaining, 236.316406 MB of memory in use. ENERGY: 2456400 4028.7689 20688.2151 14502.1732 270.4544 -203460.6615 2519.8218 0.0000 0.0000 51817.7448 -109633.4832 297.7973 -161451.2280 -109276.5313 299.3623 -17.5185 9.1610 760248.1944 -5.8963 -5.8496 PRESSURE: 2456600 16.6023 -118.329 132.641 -118.33 -157.488 71.6596 132.641 71.6595 62.6183 GPRESSURE: 2456600 -55.3442 -159.479 190.009 -142.215 -129.806 98.702 239.555 -106.661 188.309 PRESSAVG: 2456600 -14.7861 -34.2321 33.444 -34.2321 33.9879 -15.2146 33.444 -15.2147 31.7807 GPRESSAVG: 2456600 -14.3785 -34.3381 31.6384 -33.3254 33.3531 -15.8558 34.2738 -18.9523 32.2296 TIMING: 2456600 CPU: 7839.79, 0.00314387/step Wall: 7839.79, 0.00314387/step, 2.22114 hours remaining, 236.328125 MB of memory in use. ENERGY: 2456600 4013.6290 20545.8233 14487.8986 232.2883 -203606.1239 2740.9754 0.0000 0.0000 51899.8611 -109685.6482 298.2692 -161585.5093 -109321.7808 298.9570 -26.0891 1.0528 760893.3718 16.9942 17.0681 PRESSURE: 2456800 -265.845 -9.71445 -55.1034 -9.71377 189.635 192.25 -55.1027 192.249 -144.862 GPRESSURE: 2456800 -254.284 101.906 -23.3125 -95.4322 248.539 174.9 -44.6599 235.397 -119.933 PRESSAVG: 2456800 -48.2073 -48.1405 -28.6835 -48.1405 54.6238 -18.4168 -28.6836 -18.4167 -18.7425 GPRESSAVG: 2456800 -48.2572 -49.2727 -26.9625 -47.3566 55.8757 -20.028 -28.3642 -17.1638 -19.9462 TIMING: 2456800 CPU: 7840.42, 0.00313783/step Wall: 7840.42, 0.00313783/step, 2.2167 hours remaining, 236.328125 MB of memory in use. ENERGY: 2456800 4080.1681 20440.7960 14460.1400 234.9808 -203429.9256 2658.5173 0.0000 0.0000 51950.5596 -109604.7638 298.5606 -161555.3234 -109248.8535 299.1675 -73.6908 -41.8930 760800.4191 -4.1086 -4.1092 PRESSURE: 2457000 6.83403 -148.146 116.137 -148.146 -2.52791 160.89 116.138 160.889 -295.16 GPRESSURE: 2457000 12.9877 -198.637 152.521 -80.2866 30.0399 216.832 33.1262 90.017 -239.358 PRESSAVG: 2457000 1.97155 -24.7367 -1.33271 -24.7366 40.4379 16.4404 -1.33271 16.4404 -17.4601 GPRESSAVG: 2457000 0.549825 -23.1836 -2.72858 -24.087 41.0359 17.4411 -0.97118 18.3921 -16.4376 TIMING: 2457000 CPU: 7841.05, 0.0031499/step Wall: 7841.05, 0.0031499/step, 2.22505 hours remaining, 236.328125 MB of memory in use. ENERGY: 2457000 3932.3941 20311.0146 14486.0482 244.7163 -203030.2955 2451.0694 0.0000 0.0000 52105.6278 -109499.4251 299.4518 -161605.0529 -109125.5774 298.9598 -96.9514 -65.4435 762055.1119 8.3165 8.3827 PRESSURE: 2457200 -134.247 52.8941 341.516 52.8934 97.6515 -119.349 341.516 -119.348 -149.205 GPRESSURE: 2457200 -21.1005 -4.82619 388.351 35.7101 65.5634 -148.174 245.083 -73.4447 -143.964 PRESSAVG: 2457200 -64.0255 -7.49515 6.56418 -7.49514 84.4286 -8.38831 6.56426 -8.38826 -23.2898 GPRESSAVG: 2457200 -62.7004 -8.51035 7.72161 -8.20637 83.737 -8.63201 6.41212 -7.77828 -24.0727 TIMING: 2457200 CPU: 7841.67, 0.00313522/step Wall: 7841.67, 0.00313522/step, 2.21451 hours remaining, 236.328125 MB of memory in use. ENERGY: 2457200 3984.6017 20433.8913 14519.1087 247.8849 -203176.9507 2550.3264 0.0000 0.0000 52136.1691 -109304.9686 299.6273 -161441.1377 -108951.1464 299.7272 -61.9338 -33.1669 761755.5144 -0.9622 -1.0120 PRESSURE: 2457400 -193.287 -6.68369 70.8025 -6.68321 277.253 94.8977 70.8021 94.8975 -26.8264 GPRESSURE: 2457400 -148.107 2.96167 43.1174 -119.535 244.818 105.183 49.2031 190.412 58.5811 PRESSAVG: 2457400 -16.0445 -3.88013 -9.06022 -3.8801 53.1236 46.821 -9.06024 46.821 6.33429 GPRESSAVG: 2457400 -16.4277 -4.21075 -9.35677 -5.52018 53.4009 47.6751 -8.47819 46.0561 5.87922 TIMING: 2457400 CPU: 7842.3, 0.00313171/step Wall: 7842.3, 0.00313171/step, 2.21186 hours remaining, 236.328125 MB of memory in use. ENERGY: 2457400 3957.1923 20492.8711 14531.1771 252.6908 -203624.7541 2864.1507 0.0000 0.0000 52336.8719 -109189.8001 300.7807 -161526.6721 -108822.1378 300.0972 19.0467 51.7638 761716.7512 14.4711 14.2841 PRESSURE: 2457600 101.759 145.737 78.7825 145.738 25.916 52.4329 78.7809 52.4317 75.8065 GPRESSURE: 2457600 96.3271 97.7792 49.9544 170.22 68.8871 38.0085 -26.6419 -81.8331 105.123 PRESSAVG: 2457600 -83.6074 -0.392307 8.01875 -0.392287 66.187 21.6605 8.01871 21.6605 13.6041 GPRESSAVG: 2457600 -84.7135 -2.11554 7.18743 2.90926 65.8266 21.3017 9.22372 18.7541 14.5464 TIMING: 2457600 CPU: 7842.92, 0.00312245/step Wall: 7842.92, 0.00312245/step, 2.20515 hours remaining, 236.328125 MB of memory in use. ENERGY: 2457600 3982.1565 20423.7417 14522.2075 223.5409 -203426.5957 2730.0085 0.0000 0.0000 52152.4984 -109392.4421 299.7211 -161544.9405 -109032.5216 299.6876 67.8273 90.1124 761167.5207 -1.2721 -1.4468 PRESSURE: 2457800 137.053 -93.2813 -71.7848 -93.2807 217.485 276.306 -71.7845 276.307 295.226 GPRESSURE: 2457800 180.443 -134.591 -120.432 -129.091 299.239 296.188 -105.077 301.754 246.915 PRESSAVG: 2457800 -66.2974 -70.9236 -18.8542 -70.9237 50.6065 -58.0177 -18.8542 -58.0177 -16.4571 GPRESSAVG: 2457800 -65.0112 -67.2504 -17.7502 -72.2827 49.5827 -57.6987 -19.7457 -56.1575 -16.6942 TIMING: 2457800 CPU: 7843.55, 0.00314277/step Wall: 7843.55, 0.00314277/step, 2.21932 hours remaining, 236.328125 MB of memory in use. ENERGY: 2457800 3954.5751 20520.5606 14515.9345 250.9882 -203376.1332 2834.3744 0.0000 0.0000 52015.4157 -109284.2848 298.9333 -161299.7005 -108919.4055 299.2613 216.5883 242.1990 761927.8727 -10.7160 -10.7076 PRESSURE: 2458000 97.1208 -90.961 12.594 -90.9614 139.94 -157.902 12.5941 -157.901 -449.897 GPRESSURE: 2458000 131.169 -195.653 34.5692 -110.768 153.751 -139.132 222.448 -30.3901 -382.741 PRESSAVG: 2458000 -82.1279 -37.0278 13.4069 -37.0278 44.8469 17.712 13.4069 17.712 20.5382 GPRESSAVG: 2458000 -84.3013 -38.4805 13.4399 -38.0789 47.2786 16.3043 13.4862 19.593 20.9606 TIMING: 2458000 CPU: 7844.18, 0.00313464/step Wall: 7844.18, 0.00313464/step, 2.2134 hours remaining, 236.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2458000 4042.6900 20386.0312 14500.3654 246.0326 -202984.5773 2370.0116 0.0000 0.0000 51881.3086 -109558.1379 298.1626 -161439.4465 -109192.1019 299.2197 -70.9451 -32.6070 763907.6655 -5.5809 -5.3540 PRESSURE: 2458200 -345.952 -89.0026 220.963 -89.0035 90.0871 72.6696 220.961 72.6695 5.04571 GPRESSURE: 2458200 -271.284 -11.6584 103.363 -159.14 37.7234 -4.1155 219.284 -3.02338 81.8941 PRESSAVG: 2458200 -40.9845 -35.8191 45.4233 -35.8191 41.8794 7.83688 45.4233 7.83687 -0.999393 GPRESSAVG: 2458200 -38.6016 -37.2891 44.1639 -34.0476 40.9383 9.42025 44.8727 5.69578 -1.8245 TIMING: 2458200 CPU: 7844.81, 0.00314716/step Wall: 7844.81, 0.00314716/step, 2.22207 hours remaining, 236.328125 MB of memory in use. ENERGY: 2458200 4061.4909 20710.4689 14441.4498 239.6425 -203708.5137 2635.9528 0.0000 0.0000 52230.3209 -109389.1880 300.1684 -161619.5089 -109026.2649 299.5932 -83.6063 -50.5556 761564.8661 -0.0348 0.1707 PRESSURE: 2458400 29.4747 -80.5583 -49.4084 -80.559 43.0028 -9.97014 -49.4084 -9.97116 428.092 GPRESSURE: 2458400 36.7838 -159.36 30.4741 -1.74019 167.883 -12.5642 33.5115 7.89187 383.76 PRESSAVG: 2458400 -9.87625 -68.2973 12.0506 -68.2974 -33.7969 17.4329 12.0506 17.4329 5.26439 GPRESSAVG: 2458400 -10.6785 -68.54 13.9831 -68.2884 -34.6175 17.0531 11.7025 18.8895 6.66162 TIMING: 2458400 CPU: 7845.44, 0.00314819/step Wall: 7845.44, 0.00314819/step, 2.22262 hours remaining, 236.328125 MB of memory in use. ENERGY: 2458400 3989.5958 20464.9224 14483.7952 261.1849 -203746.8331 2824.0463 0.0000 0.0000 52086.3625 -109636.9261 299.3410 -161723.2887 -109267.9714 299.3369 166.8565 196.1421 759542.6144 -12.8029 -12.8781 PRESSURE: 2458600 -410.366 -263.259 22.6174 -263.26 -206.572 38.0497 22.6168 38.0487 48.3858 GPRESSURE: 2458600 -372.028 -243.256 22.8123 -141.842 -125.794 -9.40146 99.6947 224.472 14.4387 PRESSAVG: 2458600 0.41682 -32.3827 17.3265 -32.3827 7.86863 46.3389 17.3266 46.3389 -5.30547 GPRESSAVG: 2458600 0.640909 -29.7724 16.179 -33.7712 8.74283 45.851 17.5991 46.0949 -6.74551 TIMING: 2458600 CPU: 7846.07, 0.00313963/step Wall: 7846.07, 0.00313963/step, 2.21641 hours remaining, 236.328125 MB of memory in use. ENERGY: 2458600 4026.9763 20590.3760 14497.2550 252.7146 -203091.0022 2374.3938 0.0000 0.0000 51828.2811 -109521.0054 297.8578 -161349.2865 -109160.4867 298.8868 -189.5174 -161.1280 761500.9632 0.9933 0.8794 PRESSURE: 2458800 151.066 -82.7758 121.173 -82.7752 -14.6717 80.6736 121.174 80.6732 -410.958 GPRESSURE: 2458800 216.508 -116.301 126.659 -34.182 -82.5496 77.942 169.551 107.675 -346.198 PRESSAVG: 2458800 -56.1523 -63.8498 31.5308 -63.8498 48.1788 -34.227 31.5307 -34.2271 5.71193 GPRESSAVG: 2458800 -57.3989 -62.9735 31.7201 -64.5483 48.2236 -32.8598 31.4435 -34.6725 7.02963 TIMING: 2458800 CPU: 7846.7, 0.00315282/step Wall: 7846.7, 0.00315282/step, 2.22554 hours remaining, 236.328125 MB of memory in use. ENERGY: 2458800 4004.0052 20701.1994 14451.2969 243.5514 -203687.5656 2683.7086 0.0000 0.0000 52138.5135 -109465.2905 299.6408 -161603.8041 -109109.2612 299.0689 -91.5212 -70.7464 760941.3186 -0.7539 -0.7152 PRESSURE: 2459000 -188.563 192.064 13.1548 192.064 159.329 -213.817 13.1539 -213.817 164.611 GPRESSURE: 2459000 -71.8182 9.61216 47.8598 121.8 118.676 -155.87 -45.8394 -173.45 174.574 PRESSAVG: 2459000 -28.0627 -70.8175 -14.4917 -70.8175 20.2833 36.9269 -14.4917 36.9269 -27.637 GPRESSAVG: 2459000 -26.0712 -73.3015 -13.2963 -70.1009 19.1188 36.4003 -12.9337 38.1463 -28.651 TIMING: 2459000 CPU: 7847.32, 0.00313643/step Wall: 7847.32, 0.00313643/step, 2.2138 hours remaining, 236.328125 MB of memory in use. ENERGY: 2459000 3967.0890 20720.3210 14465.6419 250.7556 -203738.6768 2686.4286 0.0000 0.0000 52271.4454 -109376.9953 300.4047 -161648.4407 -109018.5571 299.5757 45.1258 73.8108 760516.9066 -11.8055 -11.8678 PRESSURE: 2459200 -238.26 -57.1163 -60.4027 -57.1165 -171.781 335.834 -60.403 335.833 -159.383 GPRESSURE: 2459200 -163.54 -89.1096 -72.3107 -91.7355 -200.098 283.681 -24.2245 148.757 -107.28 PRESSAVG: 2459200 -25.8137 -65.8845 -25.7133 -65.8845 1.49312 46.8846 -25.7134 46.8846 -19.7971 GPRESSAVG: 2459200 -25.5913 -65.7192 -26.4861 -66.7736 1.23708 46.1166 -27.8733 45.7096 -18.891 TIMING: 2459200 CPU: 7847.95, 0.00314044/step Wall: 7847.95, 0.00314044/step, 2.21645 hours remaining, 236.328125 MB of memory in use. ENERGY: 2459200 3980.9546 20537.6586 14471.5268 243.4895 -203161.5124 2248.8770 0.0000 0.0000 52211.3532 -109467.6526 300.0594 -161679.0058 -109100.6851 299.4076 -189.8082 -156.9726 761336.1286 -14.7059 -14.4151 PRESSURE: 2459400 193.343 -65.4894 29.1931 -65.4896 -58.1393 -142.447 29.193 -142.446 108.499 GPRESSURE: 2459400 237.718 -30.2509 68.2684 88.1125 50.3349 -149.706 -102.486 -148.8 41.0907 PRESSAVG: 2459400 -28.5245 -35.9744 48.4461 -35.9744 4.35328 -10.642 48.446 -10.642 5.61566 GPRESSAVG: 2459400 -29.5096 -35.3369 48.5955 -35.2541 4.97907 -10.8257 47.6972 -9.56988 5.8884 TIMING: 2459400 CPU: 7848.58, 0.00314528/step Wall: 7848.58, 0.00314528/step, 2.21969 hours remaining, 236.328125 MB of memory in use. ENERGY: 2459400 3951.5484 20714.7712 14478.4839 253.7345 -203331.5734 2587.1313 0.0000 0.0000 51889.5019 -109456.4023 298.2097 -161345.9041 -109088.4674 299.2133 81.2345 109.7146 760144.6790 -6.1852 -6.2140 PRESSURE: 2459600 -16.9339 76.5743 124.261 76.5742 -231.678 -71.3025 124.261 -71.3018 -24.1347 GPRESSURE: 2459600 -20.5247 58.6347 75.3276 120.478 -140.505 -40.9746 279.894 18.4637 -4.92576 PRESSAVG: 2459600 -24.3286 -13.688 38.5042 -13.6879 48.6884 -31.1249 38.5041 -31.1249 30.2975 GPRESSAVG: 2459600 -24.4337 -12.8372 37.7969 -13.336 49.6173 -32.0618 39.4332 -28.6417 29.867 TIMING: 2459600 CPU: 7849.21, 0.00314301/step Wall: 7849.21, 0.00314301/step, 2.21792 hours remaining, 236.328125 MB of memory in use. ENERGY: 2459600 4048.3372 20477.6768 14438.9041 258.5322 -203534.2185 2736.4863 0.0000 0.0000 51949.7797 -109624.5022 298.5561 -161574.2820 -109267.1618 298.8972 -90.9156 -55.3185 759997.3604 18.2191 18.3502 PRESSURE: 2459800 -310.271 72.969 -101.841 72.9684 172.867 63.8143 -101.841 63.8139 -481.067 GPRESSURE: 2459800 -277.905 123.689 -70.2633 163.096 233.414 -48.0086 -150.426 -42.6318 -498.685 PRESSAVG: 2459800 -9.96557 2.53038 27.8656 2.53034 16.0214 16.5588 27.8655 16.5588 19.8613 GPRESSAVG: 2459800 -9.11655 0.865581 28.9764 2.80695 15.0363 18.7572 29.1413 13.188 19.2836 TIMING: 2459800 CPU: 7849.84, 0.00316145/step Wall: 7849.84, 0.00316145/step, 2.23076 hours remaining, 236.328125 MB of memory in use. ENERGY: 2459800 4019.3810 20513.6016 14448.2250 263.4390 -203297.3731 2370.4648 0.0000 0.0000 52054.5767 -109627.6849 299.1584 -161682.2616 -109273.1518 299.6079 -206.1571 -181.0587 760547.9740 8.6390 8.4011 PRESSURE: 2460000 181.26 24.6437 82.2215 24.6441 228.912 113.619 82.2209 113.62 180.683 GPRESSURE: 2460000 233.646 76.2839 -11.8884 -60.4023 217.177 90.8122 43.2847 140.294 223.653 PRESSAVG: 2460000 -15.8742 -6.25838 -10.4176 -6.25834 39.8175 -45.5924 -10.4177 -45.5924 13.0884 GPRESSAVG: 2460000 -15.5032 -4.22702 -10.5709 -6.15576 39.7435 -46.4233 -13.7249 -44.4517 13.0365 TIMING: 2460000 CPU: 7850.47, 0.00315321/step Wall: 7850.47, 0.00315321/step, 2.22476 hours remaining, 236.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2460000 4067.2062 20729.9401 14408.4470 250.5004 -203660.6200 2785.8808 0.0000 0.0000 51868.3280 -109550.3175 298.0880 -161418.6455 -109193.0423 299.5152 196.9516 224.8254 759870.3856 12.3439 12.4256 PRESSURE: 2460200 -108.592 -77.0262 103.434 -77.0253 -284.396 180.124 103.434 180.124 89.7336 GPRESSURE: 2460200 -167.285 -26.716 114.57 -2.54405 -91.7201 124.256 -23.9667 55.4207 44.3264 PRESSAVG: 2460200 20.4999 -49.3598 2.59813 -49.3598 -41.5274 -26.4839 2.59814 -26.4839 9.55615 GPRESSAVG: 2460200 19.0051 -50.4003 0.601129 -51.2518 -39.9948 -25.3224 6.18858 -27.2957 9.93712 TIMING: 2460200 CPU: 7851.11, 0.00316301/step Wall: 7851.11, 0.00316301/step, 2.23151 hours remaining, 236.328125 MB of memory in use. ENERGY: 2460200 4014.9937 20554.1132 14467.6812 253.4761 -203261.9476 2376.4917 0.0000 0.0000 52034.4808 -109560.7110 299.0429 -161595.1918 -109188.7303 299.2226 -101.0848 -71.5596 759478.1540 -3.8238 -3.6842 LDB: ============= START OF LOAD BALANCING ============== 7863.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7863.53 LDB: =============== DONE WITH MIGRATION ================ 7863.53 LDB: ============= START OF LOAD BALANCING ============== 7863.84 LDB: Largest compute 7069 load 0.032415 is 16.6% of average load 0.195406 LDB: Average compute 0.004403 is 2.3% of average load 0.195406 LDB: TIME 7863.85 LOAD: AVG 0.195406 MAX 0.214184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.383 MB LDB: TIME 7863.85 LOAD: AVG 0.195406 MAX 0.214184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: TIME 7863.85 LOAD: AVG 0.195406 MAX 0.214184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: ============== END OF LOAD BALANCING =============== 7863.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7863.86 PRESSURE: 2460400 -37.7 -22.6579 88.8669 -22.6589 -95.1756 1.59131 88.8667 1.59054 -42.7712 GPRESSURE: 2460400 88.8776 -23.4079 63.5016 183.14 -98.0945 67.5009 -59.9218 -12.5225 -71.8423 PRESSAVG: 2460400 50.1204 -19.4812 -33.9011 -19.4812 -29.636 37.8913 -33.9011 37.8913 -7.12716 GPRESSAVG: 2460400 51.0632 -17.7651 -33.7848 -19.0864 -30.9903 38.3023 -35.9307 35.9141 -6.70631 TIMING: 2460400 CPU: 7851.75, 0.00321674/step Wall: 7851.75, 0.00321674/step, 2.26923 hours remaining, 235.226562 MB of memory in use. ENERGY: 2460400 4005.6732 20549.9384 14435.4985 275.9066 -203525.6292 2676.8861 0.0000 0.0000 51964.3381 -109617.3883 298.6398 -161581.7264 -109258.4298 299.4922 -58.5489 -27.0197 760760.0687 4.4524 4.4555 PRESSURE: 2460600 -133.105 -59.5217 128.84 -59.5216 191.298 272.503 128.84 272.503 106.328 GPRESSURE: 2460600 -81.6306 -2.19927 146.129 -34.4032 206.463 199.931 59.2426 382.185 149.101 PRESSAVG: 2460600 19.3301 -54.2758 -13.2417 -54.2759 -9.87137 -20.585 -13.2417 -20.585 -9.6833 GPRESSAVG: 2460600 18.5274 -54.7797 -12.6168 -55.1798 -9.37904 -21.3588 -13.7291 -18.0739 -9.42376 TIMING: 2460600 CPU: 7852.38, 0.00315921/step Wall: 7852.38, 0.00315921/step, 2.22847 hours remaining, 235.226562 MB of memory in use. ENERGY: 2460600 3987.1975 20588.5855 14452.6329 246.3258 -203267.3508 2546.3550 0.0000 0.0000 51692.3662 -109753.8878 297.0767 -161446.2541 -109393.0284 298.5193 54.8405 91.3113 761651.8461 -0.0749 -0.0918 PRESSURE: 2460800 211.145 -254.371 -82.9782 -254.37 245.165 432.358 -82.9784 432.358 -140.565 GPRESSURE: 2460800 173.431 -234.22 -86.6644 -164.047 279.622 387.425 -93.5929 336.422 -56.3957 PRESSAVG: 2460800 -66.414 -46.0918 -12.4748 -46.0918 9.57758 5.51375 -12.4748 5.51376 7.60032 GPRESSAVG: 2460800 -65.3594 -46.9313 -12.3968 -44.8292 8.80084 4.88676 -12.4128 6.06216 7.11598 TIMING: 2460800 CPU: 7853.02, 0.0031795/step Wall: 7853.02, 0.00317949/step, 2.2426 hours remaining, 235.226562 MB of memory in use. ENERGY: 2460800 4010.9100 20334.8352 14494.0653 231.0307 -203395.7553 2700.5762 0.0000 0.0000 51928.3352 -109696.0028 298.4329 -161624.3380 -109336.0793 298.6887 105.2482 132.2191 760176.2292 -16.4120 -16.4809 PRESSURE: 2461000 340.424 18.3408 -19.1941 18.3405 229.223 43.6665 -19.1929 43.666 697.415 GPRESSURE: 2461000 316.265 35.2172 -27.0781 22.2293 324.998 -15.3679 -53.3212 106.641 704.414 PRESSAVG: 2461000 -26.492 -70.9731 -15.752 -70.9731 42.7653 79.4354 -15.752 79.4354 -13.0283 GPRESSAVG: 2461000 -26.713 -72.3017 -14.8653 -70.8224 43.8754 80.2216 -16.9239 78.085 -14.1723 TIMING: 2461000 CPU: 7853.65, 0.00315322/step Wall: 7853.65, 0.00315322/step, 2.22389 hours remaining, 235.226562 MB of memory in use. ENERGY: 2461000 3913.6716 20436.6307 14499.2158 240.7999 -203602.6069 3017.5791 0.0000 0.0000 51852.5767 -109642.1331 297.9975 -161494.7098 -109282.5079 298.2951 422.3543 448.5587 762189.0820 1.0816 0.9967 PRESSURE: 2461200 -371.223 -255.512 32.5668 -255.512 -17.407 180.855 32.5663 180.853 -141.305 GPRESSURE: 2461200 -257.998 -176.646 -47.4896 -278.347 -56.0306 239.351 121.005 189.862 -126.182 PRESSAVG: 2461200 -25.2318 -34.2684 -14.8842 -34.2684 64.5461 32.0424 -14.8842 32.0423 0.315365 GPRESSAVG: 2461200 -24.7014 -33.2803 -15.7062 -32.453 62.9841 33.7793 -13.8847 33.518 0.908455 TIMING: 2461200 CPU: 7854.28, 0.00315003/step Wall: 7854.28, 0.00315003/step, 2.22147 hours remaining, 235.226562 MB of memory in use. ENERGY: 2461200 4031.8309 20460.5426 14565.8697 233.0332 -203687.1419 2702.1093 0.0000 0.0000 51962.4651 -109731.2911 298.6290 -161693.7562 -109374.8763 298.7296 -176.6452 -146.7369 760412.5926 13.2099 13.0637 PRESSURE: 2461400 2.38916 -59.4128 171.316 -59.4126 -31.2339 295.424 171.317 295.423 -314.012 GPRESSURE: 2461400 -5.38034 15.8141 129.398 -105.387 -3.72724 355.435 19.6011 208.381 -240.485 PRESSAVG: 2461400 -55.9264 -29.2983 -8.86979 -29.2984 80.5037 28.7448 -8.86973 28.7448 18.6445 GPRESSAVG: 2461400 -56.3982 -28.1387 -10.0051 -31.0822 81.0656 28.7007 -9.49551 26.5571 17.8491 TIMING: 2461400 CPU: 7854.91, 0.00314221/step Wall: 7854.91, 0.00314221/step, 2.21578 hours remaining, 235.226562 MB of memory in use. ENERGY: 2461400 3982.6801 20394.3440 14599.9138 241.5396 -203607.0407 2661.0157 0.0000 0.0000 51977.4510 -109750.0966 298.7151 -161727.5476 -109387.6963 298.6131 -114.2854 -83.1976 760565.4658 14.4073 14.1722 PRESSURE: 2461600 48.0961 97.1502 -172.019 97.1498 214.131 -124.742 -172.019 -124.742 -360.335 GPRESSURE: 2461600 169.847 152.346 -253.611 -1.32167 181.272 -182.978 -58.2107 -128.107 -361.774 PRESSAVG: 2461600 45.3702 -40.4613 -35.9403 -40.4613 -23.2715 -12.7157 -35.9403 -12.7157 5.25425 GPRESSAVG: 2461600 45.2067 -41.0662 -35.6148 -39.0378 -23.8546 -13.7819 -35.6916 -10.5993 6.50127 TIMING: 2461600 CPU: 7855.54, 0.0031506/step Wall: 7855.54, 0.0031506/step, 2.22152 hours remaining, 235.226562 MB of memory in use. ENERGY: 2461600 3977.6903 20529.8475 14476.6789 234.4597 -203556.3348 2685.6311 0.0000 0.0000 51891.7199 -109760.3074 298.2224 -161652.0273 -109404.5106 298.9226 -32.7027 -3.5513 760606.0291 9.1177 9.2845 PRESSURE: 2461800 -133.871 77.8491 136.159 77.8484 97.7357 -10.3764 136.158 -10.3761 50.274 GPRESSURE: 2461800 -10.3101 80.4421 114.418 98.9932 134.355 -127.293 68.3196 -31.5439 -12.1045 PRESSAVG: 2461800 -40.1209 -11.8695 5.54969 -11.8696 -4.38406 -31.8027 5.54977 -31.8027 -12.6006 GPRESSAVG: 2461800 -39.3897 -12.5424 6.49311 -12.0066 -4.40121 -31.107 7.41648 -34.4221 -13.2985 TIMING: 2461800 CPU: 7856.17, 0.00318433/step Wall: 7856.17, 0.00318433/step, 2.24513 hours remaining, 235.226562 MB of memory in use. ENERGY: 2461800 3997.2528 20469.6427 14511.7968 245.5443 -203278.5872 2399.5440 0.0000 0.0000 52121.2689 -109533.5377 299.5416 -161654.8066 -109171.9666 298.5340 4.7128 37.3136 760819.4697 -19.0352 -19.0298 PRESSURE: 2462000 8.5057 -144.287 26.6475 -144.286 -138.812 -219.551 26.6466 -219.551 217.284 GPRESSURE: 2462000 57.9245 -100.783 -18.3979 -104.635 -89.5545 -222.306 125.839 -221.348 226.008 PRESSAVG: 2462000 27.8994 -41.6477 -29.8984 -41.6477 -28.0967 -65.8096 -29.8984 -65.8097 23.8583 GPRESSAVG: 2462000 27.5887 -40.3401 -30.7086 -41.566 -27.5042 -65.5489 -30.9512 -63.7034 23.9193 TIMING: 2462000 CPU: 7856.8, 0.00314295/step Wall: 7856.8, 0.00314295/step, 2.21578 hours remaining, 235.226562 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: 2462000 3971.6064 20639.5546 14517.0714 242.5994 -203265.6549 2581.4764 0.0000 0.0000 52089.0846 -109224.2620 299.3567 -161313.3466 -108864.5110 299.3869 28.9926 64.7928 761617.7089 7.8870 8.0013 PRESSURE: 2462200 -225.87 191.27 61.405 191.27 -29.1374 15.9098 61.4054 15.9109 -164.921 GPRESSURE: 2462200 -213.461 123.918 67.9803 106.185 44.3258 -62.441 115.378 -70.0236 -164.863 PRESSAVG: 2462200 15.5711 -40.4625 -24.9545 -40.4626 -30.8161 -36.7266 -24.9546 -36.7266 -1.03597 GPRESSAVG: 2462200 14.6084 -41.2754 -22.2295 -39.0467 -31.0331 -37.1095 -24.9788 -38.1466 0.993624 TIMING: 2462200 CPU: 7857.43, 0.00312383/step Wall: 7857.43, 0.00312383/step, 2.20213 hours remaining, 235.226562 MB of memory in use. ENERGY: 2462200 4085.2146 20558.5321 14431.6494 229.5719 -202927.9579 2470.5886 0.0000 0.0000 52015.7342 -109136.6670 298.9351 -161152.4012 -108782.9416 299.8905 -139.9763 -111.3326 764375.1762 -5.4270 -5.1437 PRESSURE: 2462400 96.1407 -30.1015 -1.48115 -30.1019 158.017 27.1102 -1.48064 27.1099 -172.062 GPRESSURE: 2462400 146.261 -31.0823 -54.024 -9.29271 180.178 -84.0014 80.2743 -57.9388 -137.311 PRESSAVG: 2462400 -3.16732 -92.0605 -0.197876 -92.0604 12.6251 -22.9237 -0.197898 -22.9238 -28.9505 GPRESSAVG: 2462400 -3.53249 -93.2514 -0.927909 -92.5692 14.6504 -23.9132 -0.991473 -22.44 -31.1825 TIMING: 2462400 CPU: 7858.06, 0.00314634/step Wall: 7858.06, 0.00314634/step, 2.21782 hours remaining, 235.226562 MB of memory in use. ENERGY: 2462400 4013.7195 20547.4060 14510.2083 239.4876 -203205.8347 2737.6904 0.0000 0.0000 52102.9174 -109054.4056 299.4362 -161157.3230 -108689.1137 300.3214 27.3651 63.0427 762608.4368 -6.4976 -6.6882 PRESSURE: 2462600 -31.3548 -138.592 237.924 -138.592 539.599 -22.3969 237.924 -22.3957 -426.943 GPRESSURE: 2462600 -30.5206 -224.473 233.584 -39.9707 526.252 -46.9175 257.921 -100.185 -337.341 PRESSAVG: 2462600 -45.4498 -84.031 34.0007 -84.031 40.0272 21.3677 34.0007 21.3677 11.5008 GPRESSAVG: 2462600 -44.8436 -83.0917 32.656 -84.6794 38.4167 20.5491 34.8339 20.9708 12.9035 TIMING: 2462600 CPU: 7858.69, 0.00314851/step Wall: 7858.69, 0.00314851/step, 2.21918 hours remaining, 235.226562 MB of memory in use. ENERGY: 2462600 4012.0993 20488.3371 14588.8585 250.7368 -203220.6953 2525.7353 0.0000 0.0000 52251.0427 -109103.8856 300.2875 -161354.9283 -108736.3428 300.6157 27.1006 52.7969 761138.3973 2.0260 2.1589 PRESSURE: 2462800 -144.949 -85.8794 -77.9178 -85.8777 -83.4603 111.769 -77.9179 111.768 -246.774 GPRESSURE: 2462800 -113.303 -141.422 -90.0733 -141.381 -32.1012 92.4547 -183.721 70.6217 -234.205 PRESSAVG: 2462800 -55.7483 -62.8846 -1.11636 -62.8846 12.5571 21.3243 -1.11634 21.3243 3.03874 GPRESSAVG: 2462800 -53.8681 -63.3821 0.101998 -63.5333 12.7196 23.3999 -1.49039 21.4211 1.63673 TIMING: 2462800 CPU: 7859.32, 0.00315969/step Wall: 7859.32, 0.00315969/step, 2.22688 hours remaining, 235.226562 MB of memory in use. ENERGY: 2462800 4001.6039 20640.3588 14456.0393 258.1749 -203305.8289 2557.0680 0.0000 0.0000 52026.7129 -109365.8711 298.9982 -161392.5840 -109013.4376 299.7771 -158.3943 -126.5365 761708.8069 -13.3841 -13.1706 PRESSURE: 2463000 227.272 121.239 -91.8432 121.238 326.696 -109.527 -91.8423 -109.527 -185.519 GPRESSURE: 2463000 241.76 107.925 -35.6475 11.5912 303.193 -41.7184 99.5391 -152.308 -96.4757 PRESSAVG: 2463000 26.0858 -73.3218 14.8641 -73.3218 14.6109 -6.93256 14.8641 -6.93255 -9.27442 GPRESSAVG: 2463000 24.9879 -71.6109 14.376 -73.8402 14.381 -7.68156 16.2724 -5.04159 -7.92767 TIMING: 2463000 CPU: 7859.95, 0.00317055/step Wall: 7859.95, 0.00317055/step, 2.23436 hours remaining, 235.226562 MB of memory in use. ENERGY: 2463000 4059.5635 20585.0376 14522.9530 242.8184 -203796.2468 2816.2849 0.0000 0.0000 52158.5716 -109411.0177 299.7560 -161569.5893 -109054.8549 299.3555 122.8162 149.4926 761973.2960 10.4741 10.4804 PRESSURE: 2463200 195.459 94.8545 -92.7033 94.8534 76.6009 -69.2217 -92.703 -69.2222 -47.0773 GPRESSURE: 2463200 171.586 -9.95944 -155.588 223.824 155.928 -54.8927 -33.5387 63.843 -30.1856 PRESSAVG: 2463200 9.00893 -52.3396 98.9643 -52.3396 -32.8367 13.8534 98.9642 13.8533 9.21236 GPRESSAVG: 2463200 7.84632 -55.7513 98.798 -50.4274 -32.2826 13.3212 99.4402 13.4689 9.43519 TIMING: 2463200 CPU: 7860.58, 0.00316412/step Wall: 7860.58, 0.00316412/step, 2.22965 hours remaining, 235.226562 MB of memory in use. ENERGY: 2463200 3971.9982 20643.9193 14507.3098 226.2762 -203491.6448 2626.6675 0.0000 0.0000 52166.7088 -109348.7649 299.8028 -161515.4737 -108987.9952 299.5607 74.9942 99.1095 761367.2918 -4.8718 -5.0004 PRESSURE: 2463400 -449.719 117.61 476.409 117.611 -45.3309 -261.558 476.408 -261.558 -21.2439 GPRESSURE: 2463400 -343.652 83.4855 357.912 191.063 -10.7128 -265.371 333.882 -202.296 -86.0551 PRESSAVG: 2463400 -12.532 -70.0738 96.0759 -70.0738 14.2181 -20.5871 96.0759 -20.5871 18.9071 GPRESSAVG: 2463400 -11.2431 -67.4854 96.264 -72.5803 13.7839 -19.9274 93.409 -21.3015 17.8651 TIMING: 2463400 CPU: 7861.22, 0.00317137/step Wall: 7861.22, 0.00317137/step, 2.23458 hours remaining, 235.226562 MB of memory in use. ENERGY: 2463400 4075.3208 20555.3014 14544.6885 255.5299 -203806.8362 2593.6389 0.0000 0.0000 52379.1666 -109403.1902 301.0238 -161782.3567 -109043.4281 299.3900 -172.0978 -146.8066 761329.8788 6.8644 6.8020 PRESSURE: 2463600 -30.7221 44.9814 17.6358 44.9816 -6.24412 -176.63 17.6369 -176.63 51.3602 GPRESSURE: 2463600 -69.3024 -26.788 -50.2548 -91.6105 31.253 -149.582 -18.7481 -46.828 135.185 PRESSAVG: 2463600 -63.8917 -34.3349 81.7994 -34.3349 44.5476 -3.28387 81.7995 -3.28381 1.29701 GPRESSAVG: 2463600 -64.3781 -35.034 83.6066 -33.1764 44.7674 -3.48672 82.0676 -3.82497 2.23804 TIMING: 2463600 CPU: 7861.85, 0.00317555/step Wall: 7861.85, 0.00317555/step, 2.23735 hours remaining, 235.226562 MB of memory in use. ENERGY: 2463600 4044.7434 20582.2927 14547.7416 233.1453 -203359.1581 2617.2282 0.0000 0.0000 52079.4704 -109254.5364 299.3014 -161334.0068 -108897.4018 299.6825 4.7980 32.3786 760946.2748 -6.0157 -5.7909 PRESSURE: 2463800 -57.1744 -206.081 57.7077 -206.08 -134.42 48.234 57.7073 48.2344 -18.641 GPRESSURE: 2463800 -191.551 -168.206 24.5255 -195.517 -17.4453 10.4049 56.8909 86.2143 61.9492 PRESSAVG: 2463800 -40.634 -33.4152 -10.8846 -33.4151 63.5784 15.0863 -10.8845 15.0862 -11.8581 GPRESSAVG: 2463800 -41.5314 -33.7418 -14.0613 -32.4808 65.019 13.6146 -8.57789 16.0675 -11.9737 TIMING: 2463800 CPU: 7862.49, 0.00315746/step Wall: 7862.49, 0.00315746/step, 2.22443 hours remaining, 235.226562 MB of memory in use. ENERGY: 2463800 3964.3651 20641.6036 14552.7475 257.2941 -203393.5896 2577.3575 0.0000 0.0000 52188.0688 -109212.1531 299.9255 -161400.2219 -108850.2066 299.8110 -70.0785 -49.0155 761339.3608 3.6954 3.8380 PRESSURE: 2464000 -219.879 -51.3292 20.0165 -51.3294 -179.561 261.201 20.0161 261.201 -96.8174 GPRESSURE: 2464000 -188.171 13.9123 108.254 77.8245 -123.9 305.847 90.1096 255.418 -95.0341 PRESSAVG: 2464000 -43.4225 -36.5222 42.6993 -36.5222 16.5382 29.0419 42.6994 29.0419 16.0152 GPRESSAVG: 2464000 -41.5195 -36.7157 45.9424 -35.033 14.5834 30.6397 41.2079 28.6775 15.7834 TIMING: 2464000 CPU: 7863.11, 0.00312213/step Wall: 7863.11, 0.00312213/step, 2.19937 hours remaining, 235.226562 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: 2464000 3911.0502 20629.4385 14569.6788 239.6495 -203143.3156 2376.9902 0.0000 0.0000 52384.6428 -109031.8656 301.0553 -161416.5084 -108662.3713 300.1690 -165.4191 -135.7018 762022.4345 -3.6230 -3.7176 PRESSURE: 2464200 203.303 -38.0988 -109.144 -38.099 334.265 -118.546 -109.143 -118.546 113.138 GPRESSURE: 2464200 147.703 95.7806 -17.8956 20.956 420.698 -68.3183 -269.758 -65.9033 179.085 PRESSAVG: 2464200 -16.9626 -12.9269 -34.9284 -12.9269 59.5506 9.5282 -34.9285 9.5282 -32.0251 GPRESSAVG: 2464200 -18.3824 -11.3089 -35.8951 -14.9672 60.9584 7.54013 -32.9079 9.2592 -31.5267 TIMING: 2464200 CPU: 7863.74, 0.00315414/step Wall: 7863.74, 0.00315414/step, 2.22174 hours remaining, 235.226562 MB of memory in use. ENERGY: 2464200 3968.0840 20582.8312 14551.1718 244.4275 -203083.4283 2646.8234 0.0000 0.0000 51883.9186 -109206.1717 298.1776 -161090.0904 -108850.6658 299.7976 216.9019 249.1622 761119.4106 3.5210 3.6831 LDB: ============= START OF LOAD BALANCING ============== 7876.16 LDB: ============== END OF LOAD BALANCING =============== 7876.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7876.17 LDB: ============= START OF LOAD BALANCING ============== 7876.48 LDB: Largest compute 7069 load 0.035642 is 18.2% of average load 0.195570 LDB: Average compute 0.004407 is 2.3% of average load 0.195570 LDB: TIME 7876.49 LOAD: AVG 0.19557 MAX 0.214279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.828 MB LDB: TIME 7876.49 LOAD: AVG 0.19557 MAX 0.214279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.828 MB LDB: TIME 7876.49 LOAD: AVG 0.19557 MAX 0.214279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.828 MB LDB: ============== END OF LOAD BALANCING =============== 7876.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7876.49 PRESSURE: 2464400 -361.444 72.8757 325.745 72.8754 -87.4212 -90.5473 325.746 -90.5476 18.7394 GPRESSURE: 2464400 -202.615 -21.0285 180.915 57.2351 -108.417 -15.7272 297.583 43.1689 -51.5372 PRESSAVG: 2464400 3.20945 -16.2698 11.0828 -16.2698 -25.0044 65.683 11.0829 65.683 -1.78798 GPRESSAVG: 2464400 3.98392 -16.4876 11.4776 -18.6829 -25.0936 67.1338 8.71162 66.4422 -2.2172 TIMING: 2464400 CPU: 7864.39, 0.00323549/step Wall: 7864.39, 0.00323549/step, 2.27886 hours remaining, 234.894531 MB of memory in use. ENERGY: 2464400 3993.4375 20562.7453 14509.5351 252.5719 -203300.9425 2498.1538 0.0000 0.0000 52145.7260 -109338.7729 299.6822 -161484.4989 -108973.7028 299.3495 -143.3753 -120.8565 762673.3786 -7.8610 -7.7756 PRESSURE: 2464600 -88.3211 -32.1725 -2.46239 -32.173 140.626 -222.152 -2.46181 -222.153 140.272 GPRESSURE: 2464600 -104.463 -21.8366 -8.48851 31.4329 173.089 -186.157 25.403 -119.2 200.952 PRESSAVG: 2464600 -29.6889 -26.0637 50.4629 -26.0638 31.3855 19.5671 50.463 19.5671 -33.5118 GPRESSAVG: 2464600 -30.1747 -28.1669 51.9134 -23.2319 31.4947 20.0004 51.0783 18.7045 -33.1563 TIMING: 2464600 CPU: 7865.02, 0.00313886/step Wall: 7865.02, 0.00313886/step, 2.21063 hours remaining, 235.097656 MB of memory in use. ENERGY: 2464600 4018.6102 20475.5236 14582.8228 241.0520 -203554.3213 2618.9143 0.0000 0.0000 52423.2373 -109194.1610 301.2771 -161617.3983 -108828.9886 299.6202 64.1923 89.8594 759662.8481 -10.6050 -10.6121 PRESSURE: 2464800 -173.281 25.802 107.504 25.8018 68.2388 204.676 107.504 204.676 415.268 GPRESSURE: 2464800 -69.8086 47.2488 77.847 44.8604 184.038 172.592 8.11121 193.86 293.586 PRESSAVG: 2464800 -31.6845 -16.2803 7.12593 -16.2804 58.473 7.06474 7.12601 7.06475 6.31847 GPRESSAVG: 2464800 -30.3624 -14.3523 5.28309 -17.4356 59.6587 7.45385 6.60258 8.64232 4.53619 TIMING: 2464800 CPU: 7865.65, 0.00315835/step Wall: 7865.65, 0.00315835/step, 2.22418 hours remaining, 235.097656 MB of memory in use. ENERGY: 2464800 4011.0417 20546.0536 14508.7506 245.5604 -203219.9188 2579.4292 0.0000 0.0000 52401.5846 -108927.4988 301.1526 -161329.0834 -108570.2304 300.0851 103.4085 135.9385 762197.5935 11.0357 11.2775 PRESSURE: 2465000 -170.688 89.8291 146.276 89.8284 153.258 -13.7953 146.276 -13.7959 60.6893 GPRESSURE: 2465000 -93.3426 -19.839 103.801 144.503 157.686 -74.6261 62.2783 20.8768 64.9974 PRESSAVG: 2465000 -78.2974 -21.2189 22.829 -21.2189 81.6897 20.7538 22.829 20.7538 -14.9596 GPRESSAVG: 2465000 -79.3657 -22.9704 21.7817 -20.3393 81.2484 20.8191 23.2335 18.9244 -13.4806 TIMING: 2465000 CPU: 7866.28, 0.00315233/step Wall: 7866.28, 0.00315233/step, 2.21976 hours remaining, 235.097656 MB of memory in use. ENERGY: 2465000 3969.5906 20652.6592 14466.5465 244.8501 -202857.0339 2452.8012 0.0000 0.0000 52072.2662 -108998.3201 299.2600 -161070.5863 -108632.8738 300.0990 14.4197 43.1137 762063.6317 -3.8558 -3.8660 PRESSURE: 2465200 -5.59876 -215.374 -187.13 -215.375 100.685 31.8953 -187.129 31.8954 124.824 GPRESSURE: 2465200 -20.5922 -160.129 -191.247 -109.378 204.991 50.5511 -154.562 47.7866 102.277 PRESSAVG: 2465200 -73.7949 -19.5315 45.4982 -19.5315 67.3008 46.5371 45.4982 46.537 1.53999 GPRESSAVG: 2465200 -74.6441 -19.6753 46.6599 -19.4354 68.1618 47.1349 48.0783 46.2229 1.59037 TIMING: 2465200 CPU: 7866.91, 0.00315421/step Wall: 7866.91, 0.00315421/step, 2.22092 hours remaining, 235.097656 MB of memory in use. ENERGY: 2465200 3968.9848 20618.9487 14458.2644 243.5860 -203290.2615 2568.2845 0.0000 0.0000 52295.4557 -109136.7373 300.5427 -161432.1931 -108771.8082 300.1310 73.3035 95.5585 761155.3556 -1.6514 -1.6306 PRESSURE: 2465400 161.245 -239.513 -30.9276 -239.513 -109.373 104.501 -30.9281 104.501 -16.6812 GPRESSURE: 2465400 147.671 -201.542 -97.6316 -157.971 -26.3931 57.4283 -42.2602 156.825 17.1374 PRESSAVG: 2465400 -14.6055 -33.1817 3.14813 -33.1817 45.4368 15.1016 3.14811 15.1015 11.5093 GPRESSAVG: 2465400 -14.7137 -34.172 2.37916 -30.0723 44.6337 13.4978 3.15128 14.1585 12.7481 TIMING: 2465400 CPU: 7867.54, 0.00315867/step Wall: 7867.54, 0.00315867/step, 2.22388 hours remaining, 235.097656 MB of memory in use. ENERGY: 2465400 4065.4829 20638.9747 14489.4797 263.4197 -202924.6912 2351.5042 0.0000 0.0000 52073.3387 -109042.4914 299.2662 -161115.8300 -108682.5088 299.9378 11.7303 46.1383 759570.8131 14.1135 14.2227 PRESSURE: 2465600 18.6419 -11.3751 219.634 -11.3755 -116.784 91.2769 219.635 91.2785 100.673 GPRESSURE: 2465600 199.494 -114.428 235.459 -126.102 -113.18 67.0684 123.105 21.716 12.1841 PRESSAVG: 2465600 -62.1269 -98.782 33.633 -98.782 17.4391 -33.5031 33.6329 -33.5031 14.7502 GPRESSAVG: 2465600 -60.1353 -98.4092 34.4221 -101.597 16.1269 -34.1188 31.2151 -31.3235 14.1928 TIMING: 2465600 CPU: 7868.17, 0.00316494/step Wall: 7868.17, 0.00316494/step, 2.22811 hours remaining, 235.097656 MB of memory in use. ENERGY: 2465600 4025.5807 20431.1497 14495.1485 255.3449 -202483.2971 2310.2206 0.0000 0.0000 52069.9575 -108895.8952 299.2468 -160965.8527 -108534.2101 300.0549 0.8435 32.8326 761269.2474 -9.9792 -9.9386 PRESSURE: 2465800 -159.868 -138.931 -24.5674 -138.931 73.283 -225.025 -24.568 -225.026 109.035 GPRESSURE: 2465800 -139.704 -32.2841 -43.255 -130.833 129.244 -173.887 17.811 -127.743 125.075 PRESSAVG: 2465800 0.718072 -72.5959 15.7731 -72.5959 4.11144 -6.22589 15.7731 -6.2259 -1.85072 GPRESSAVG: 2465800 -0.19481 -70.1506 15.8677 -74.2698 5.25901 -4.66203 17.6161 -10.0243 -1.72266 TIMING: 2465800 CPU: 7868.8, 0.00313838/step Wall: 7868.8, 0.00313838/step, 2.20925 hours remaining, 235.097656 MB of memory in use. ENERGY: 2465800 3977.0827 20580.6199 14533.1335 240.5286 -203165.3397 2456.5565 0.0000 0.0000 52325.4459 -109051.9725 300.7151 -161377.4184 -108689.9124 300.5194 7.4834 38.2049 760985.8678 0.9929 1.1138 PRESSURE: 2466000 -128.638 58.3177 160.252 58.3172 159.353 158.52 160.251 158.52 225.808 GPRESSURE: 2466000 -6.13909 33.0076 95.3333 15.3633 228.592 140.604 281.502 129.712 133.217 PRESSAVG: 2466000 21.7222 -34.5187 -7.03934 -34.5188 -17.4809 18.5466 -7.03934 18.5466 10.1694 GPRESSAVG: 2466000 21.4505 -35.2724 -7.38789 -33.315 -16.7023 17.2977 -7.09955 20.3737 9.84508 TIMING: 2466000 CPU: 7869.43, 0.00314072/step Wall: 7869.43, 0.00314072/step, 2.21072 hours remaining, 235.097656 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: 2466000 4071.0018 20549.8994 14512.2529 243.6955 -203340.1144 2740.5249 0.0000 0.0000 52251.9180 -108970.8220 300.2925 -161222.7401 -108607.3649 299.8364 85.5077 118.5564 760462.7397 4.8035 4.8644 PRESSURE: 2466200 -57.0382 226.338 28.4676 226.338 0.581331 114.468 28.4674 114.467 -414.399 GPRESSURE: 2466200 -9.75848 198.868 88.7361 298.508 81.2761 112.593 34.3945 0.919564 -460.692 PRESSAVG: 2466200 6.38787 -54.6659 25.2559 -54.6659 -28.9055 15.5957 25.2559 15.5957 6.39253 GPRESSAVG: 2466200 6.36533 -54.8466 25.4083 -54.5742 -29.218 17.3661 21.2621 14.9736 6.72864 TIMING: 2466200 CPU: 7870.06, 0.00314218/step Wall: 7870.06, 0.00314218/step, 2.21157 hours remaining, 235.097656 MB of memory in use. ENERGY: 2466200 4046.4628 20470.2302 14544.6280 264.3167 -202953.7475 2296.6878 0.0000 0.0000 52235.6993 -109095.7227 300.1993 -161331.4220 -108721.9910 300.2003 -156.9520 -129.7249 760397.8276 -5.3750 -5.3747 PRESSURE: 2466400 -148.898 -0.846285 -165.092 -0.845449 -630.235 -173.231 -165.093 -173.231 -251.009 GPRESSURE: 2466400 -207.737 69.9552 -137.515 -3.48378 -518.437 -163.216 -129.017 -148.085 -237.476 PRESSAVG: 2466400 62.7743 19.7444 -2.76983 19.7444 -41.5981 3.73823 -2.76979 3.73825 -20.173 GPRESSAVG: 2466400 62.3797 19.4835 -1.95643 19.3191 -41.0964 3.96351 -0.553707 3.36128 -20.1056 TIMING: 2466400 CPU: 7870.69, 0.00315306/step Wall: 7870.69, 0.00315306/step, 2.21905 hours remaining, 235.097656 MB of memory in use. ENERGY: 2466400 4061.4937 20689.6362 14507.9964 260.7281 -202935.1454 2375.8050 0.0000 0.0000 52062.6203 -108976.8658 299.2046 -161039.4860 -108628.7053 300.5125 -343.3808 -321.2169 761782.3021 0.3344 0.3926 PRESSURE: 2466600 361.72 -325 -156.487 -325 -339.293 -257.916 -156.487 -257.916 81.7994 GPRESSURE: 2466600 354.527 -320.12 -157.088 -270.834 -220.849 -259.419 -111.159 -220.265 49.4198 PRESSAVG: 2466600 -11.0315 -43.8405 12.7938 -43.8404 -11.0031 -83.4673 12.7938 -83.4673 1.07121 GPRESSAVG: 2466600 -10.6065 -43.7184 11.5033 -42.8142 -10.9634 -85.9418 15.1315 -81.8354 0.980328 TIMING: 2466600 CPU: 7871.32, 0.00313616/step Wall: 7871.32, 0.00313616/step, 2.20698 hours remaining, 235.097656 MB of memory in use. ENERGY: 2466600 3964.0163 20597.3037 14473.1063 257.9580 -203007.6255 2581.6697 0.0000 0.0000 52085.3190 -109048.2525 299.3350 -161133.5716 -108677.3265 299.6393 34.7420 61.0325 760485.6191 -6.9878 -6.8632 PRESSURE: 2466800 53.6904 185.339 82.8855 185.339 74.6918 -284.69 82.8854 -284.69 93.3956 GPRESSURE: 2466800 80.1368 114.122 101.186 112.327 79.8819 -195.738 -42.2453 -163.059 140.195 PRESSAVG: 2466800 6.53729 -52.7405 32.3859 -52.7405 -7.85876 -62.5537 32.3859 -62.5537 -6.09794 GPRESSAVG: 2466800 6.41442 -54.0014 32.8831 -52.62 -9.13536 -61.7657 29.1606 -61.123 -4.64362 TIMING: 2466800 CPU: 7871.95, 0.0031558/step Wall: 7871.95, 0.0031558/step, 2.22063 hours remaining, 235.097656 MB of memory in use. ENERGY: 2466800 4041.6536 20656.8421 14463.6441 261.0850 -203303.9019 2481.5141 0.0000 0.0000 52403.9147 -108995.2482 301.1660 -161399.1629 -108623.8504 300.3996 73.9259 100.0713 760364.5647 -2.4731 -2.4549 PRESSURE: 2467000 -87.9854 -177.315 -69.1349 -177.315 71.8417 47.3482 -69.135 47.3479 -174.724 GPRESSURE: 2467000 3.40539 -186.569 -87.6152 -145.806 42.979 -26.2264 35.9138 165.934 -140.292 PRESSAVG: 2467000 6.64995 -21.0188 45.0432 -21.0188 1.36147 17.0828 45.0431 17.0829 -10.8949 GPRESSAVG: 2467000 5.54514 -20.4183 44.6503 -22.5858 1.77313 17.9804 45.3556 14.5098 -10.7739 TIMING: 2467000 CPU: 7872.58, 0.00315567/step Wall: 7872.58, 0.00315567/step, 2.22036 hours remaining, 235.097656 MB of memory in use. ENERGY: 2467000 3983.0336 20742.6530 14518.2300 272.1205 -203160.8022 2430.0000 0.0000 0.0000 52429.6216 -108785.1434 301.3138 -161214.7650 -108427.2750 300.6356 -63.6227 -31.3027 761522.7689 -0.9611 -1.1519 PRESSURE: 2467200 92.5239 -75.4321 44.2119 -75.4316 -162.945 -51.1706 44.2116 -51.1703 181.793 GPRESSURE: 2467200 52.1582 -50.7844 23.5783 -70.9287 25.1517 37.1494 -77.3186 -69.175 142.558 PRESSAVG: 2467200 14.3408 -68.9787 -19.349 -68.9786 -32.9384 42.0652 -19.349 42.0651 19.6543 GPRESSAVG: 2467200 16.0382 -71.8478 -18.2748 -69.4502 -33.5614 41.2841 -19.3765 43.1174 18.1242 TIMING: 2467200 CPU: 7873.21, 0.00314259/step Wall: 7873.21, 0.00314259/step, 2.21099 hours remaining, 235.097656 MB of memory in use. ENERGY: 2467200 3969.7268 20488.8265 14478.4962 240.1167 -203410.7014 2796.7759 0.0000 0.0000 52478.1914 -108958.5680 301.5929 -161436.7594 -108586.4955 300.7964 37.1240 73.2894 760321.3533 0.3522 0.2003 PRESSURE: 2467400 105.78 -100.777 -134.805 -100.779 -130.849 -144.977 -134.806 -144.978 -48.76 GPRESSURE: 2467400 84.3137 -119.842 -34.5614 -76.2648 -67.0928 -184.219 -196.498 -59.1103 1.74921 PRESSAVG: 2467400 -12.0126 -51.7425 9.04378 -51.7425 17.2718 -13.4155 9.04383 -13.4155 2.23945 GPRESSAVG: 2467400 -12.9323 -47.8793 7.47515 -49.5955 17.0934 -13.0443 11.2992 -13.365 3.6136 TIMING: 2467400 CPU: 7873.84, 0.00315199/step Wall: 7873.84, 0.00315199/step, 2.21743 hours remaining, 235.097656 MB of memory in use. ENERGY: 2467400 4034.9613 20597.2847 14522.2429 224.8492 -202752.2819 2401.9383 0.0000 0.0000 52204.7285 -108766.2769 300.0213 -160971.0054 -108406.5748 300.5730 -24.6098 6.3234 760992.1362 2.4996 2.5916 PRESSURE: 2467600 75.3309 194.301 -199.222 194.301 143.629 213.763 -199.223 213.763 9.30148 GPRESSURE: 2467600 162.241 107.3 -135.676 159.844 148.512 234.238 -218.419 145.803 9.2543 PRESSAVG: 2467600 -34.1777 -1.42033 13.1563 -1.42036 8.80301 16.6183 13.1563 16.6183 3.20059 GPRESSAVG: 2467600 -33.2638 -2.95385 14.0444 -2.71469 8.90231 17.4613 10.5961 15.1543 2.16226 TIMING: 2467600 CPU: 7874.46, 0.00313837/step Wall: 7874.46, 0.00313837/step, 2.20767 hours remaining, 235.097656 MB of memory in use. ENERGY: 2467600 4017.3392 20603.1094 14488.6589 236.3320 -203104.9968 2689.3889 0.0000 0.0000 52243.3071 -108826.8613 300.2430 -161070.1684 -108468.4361 299.7782 76.0871 106.6690 761663.3037 -7.3914 -7.3997 PRESSURE: 2467800 97.2581 -27.702 -118.619 -27.7015 21.7902 -79.0935 -118.619 -79.0945 -220.338 GPRESSURE: 2467800 40.0929 -58.6345 -91.748 -125.987 68.2355 -6.34762 -148.885 -113.341 -118.64 PRESSAVG: 2467800 -2.3466 -39.6597 28.7138 -39.6597 16.0042 40.2594 28.7138 40.2594 -16.7466 GPRESSAVG: 2467800 -2.69795 -39.1831 27.3679 -39.97 16.5173 40.6256 30.6737 40.5054 -17.1333 TIMING: 2467800 CPU: 7875.09, 0.00314923/step Wall: 7875.09, 0.00314923/step, 2.21513 hours remaining, 235.097656 MB of memory in use. ENERGY: 2467800 3998.6776 20516.4714 14474.9051 269.2525 -202853.2009 2415.5340 0.0000 0.0000 52199.1403 -108979.2201 299.9892 -161178.3604 -108594.6801 300.0879 -33.7633 -3.4371 761089.1873 -1.0297 -1.1047 PRESSURE: 2468000 -154.843 -120.065 -27.0671 -120.065 -153.237 -70.8787 -27.0667 -70.8792 -494.343 GPRESSURE: 2468000 -129.5 4.59087 -107.58 -140.981 -171.535 -34.9063 139.742 -106.479 -429.226 PRESSAVG: 2468000 -15.5092 -17.5608 -5.31578 -17.5608 -24.6488 31.2287 -5.31583 31.2285 -4.84231 GPRESSAVG: 2468000 -15.6831 -17.7386 -3.23028 -19.2245 -23.5209 31.2242 -5.93095 31.8494 -5.45826 TIMING: 2468000 CPU: 7875.73, 0.00316739/step Wall: 7875.73, 0.00316739/step, 2.22773 hours remaining, 235.097656 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: 2468000 3996.5342 20593.5915 14497.2831 233.1096 -203097.4121 2447.7817 0.0000 0.0000 52272.1250 -109056.9870 300.4086 -161329.1120 -108695.1326 300.4005 -267.4746 -243.4204 761718.0026 -15.0001 -14.8874 PRESSURE: 2468200 -401.876 -23.7868 73.7594 -23.7867 -242.29 80.5802 73.7586 80.5797 -93.0496 GPRESSURE: 2468200 -420.145 -57.965 -8.51945 -67.4641 -128.32 33.3613 48.7435 59.3783 -100.086 PRESSAVG: 2468200 11.5316 -43.6704 11.8901 -43.6704 -22.8428 48.9302 11.8901 48.9302 -6.71959 GPRESSAVG: 2468200 10.8718 -43.7594 9.70186 -42.2861 -22.4283 47.3601 13.1034 49.0924 -5.98107 TIMING: 2468200 CPU: 7876.36, 0.00316438/step Wall: 7876.36, 0.00316438/step, 2.22544 hours remaining, 235.097656 MB of memory in use. ENERGY: 2468200 3986.8741 20417.6268 14537.5545 253.5364 -202751.9051 2273.5499 0.0000 0.0000 52170.0055 -109112.7579 299.8217 -161282.7635 -108744.6044 300.1558 -245.7385 -216.1834 762470.0663 -6.0103 -5.8458 LDB: ============= START OF LOAD BALANCING ============== 7888.78 LDB: ============== END OF LOAD BALANCING =============== 7888.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7888.78 LDB: ============= START OF LOAD BALANCING ============== 7889.1 LDB: Largest compute 7031 load 0.035061 is 17.9% of average load 0.195466 LDB: Average compute 0.004380 is 2.2% of average load 0.195466 LDB: TIME 7889.1 LOAD: AVG 0.195466 MAX 0.213881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.102 MB LDB: TIME 7889.1 LOAD: AVG 0.195466 MAX 0.213881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: TIME 7889.1 LOAD: AVG 0.195466 MAX 0.213881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: ============== END OF LOAD BALANCING =============== 7889.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7889.11 PRESSURE: 2468400 -303.273 -183.02 36.104 -183.019 -240.723 85.9992 36.1036 85.9996 -336.236 GPRESSURE: 2468400 -213.441 -144.556 63.2071 -171.126 -229.667 31.4068 -40.8227 21.616 -360.445 PRESSAVG: 2468400 35.0764 -18.9236 2.55987 -18.9236 0.00263348 44.5412 2.55984 44.5412 -7.07929 GPRESSAVG: 2468400 35.8443 -18.8513 4.03403 -16.7729 -0.519291 45.1604 1.80356 44.6989 -7.03274 TIMING: 2468400 CPU: 7877, 0.0032203/step Wall: 7877, 0.0032203/step, 2.26459 hours remaining, 233.363281 MB of memory in use. ENERGY: 2468400 4027.5807 20555.2337 14396.4735 232.2043 -202919.7751 2352.4968 0.0000 0.0000 52263.5881 -109092.1981 300.3596 -161355.7861 -108726.4541 299.9142 -293.4106 -267.8512 762115.2262 9.3333 9.4307 PRESSURE: 2468600 -394.572 -46.2811 -88.3241 -46.282 77.0005 58.4669 -88.3237 58.4662 374.271 GPRESSURE: 2468600 -291.867 -89.0541 -37.9752 66.0941 24.9528 60.662 -25.1417 82.6444 401.889 PRESSAVG: 2468600 -12.0252 7.91403 -24.3642 7.91395 -20.8148 15.4518 -24.3642 15.4518 -1.32171 GPRESSAVG: 2468600 -12.7035 6.75952 -24.3334 5.82957 -20.8043 14.0423 -23.946 17.4291 -0.982494 TIMING: 2468600 CPU: 7877.64, 0.00315346/step Wall: 7877.64, 0.00315346/step, 2.21741 hours remaining, 233.363281 MB of memory in use. ENERGY: 2468600 3994.6596 20568.0020 14456.1555 246.8571 -202995.0748 2527.3058 0.0000 0.0000 52172.7615 -109029.3333 299.8376 -161202.0948 -108657.1188 299.9400 18.9000 44.9917 761968.9600 -11.3872 -11.4968 PRESSURE: 2468800 -472.396 34.1161 -104.84 34.117 60.6715 -42.6542 -104.84 -42.6534 206.21 GPRESSURE: 2468800 -361.805 0.641045 -77.0278 -40.9944 123.494 -32.071 -109.586 -106.902 112.043 PRESSAVG: 2468800 -8.95697 -17.6291 22.6358 -17.6291 -7.21048 9.9943 22.6358 9.99431 -3.56496 GPRESSAVG: 2468800 -9.13937 -15.75 22.5414 -16.3614 -6.145 11.0841 22.4559 9.04292 -4.2423 TIMING: 2468800 CPU: 7878.27, 0.00315263/step Wall: 7878.27, 0.00315263/step, 2.21665 hours remaining, 233.363281 MB of memory in use. ENERGY: 2468800 4029.2203 20635.3751 14532.4946 240.2169 -202863.4888 2572.1914 0.0000 0.0000 51952.2348 -108901.7557 298.5702 -160853.9905 -108544.0742 299.8396 -68.5048 -42.0895 763980.5863 -6.5775 -6.5089 PRESSURE: 2469000 -202.797 -331.617 97.1801 -331.616 74.0482 -138.402 97.1799 -138.401 -55.6403 GPRESSURE: 2469000 -235.635 -256.441 64.5885 -265.421 226.495 -48.577 101.979 -89.5496 -107.345 PRESSAVG: 2469000 -17.8193 -47.617 42.0751 -47.617 68.8972 13.068 42.0751 13.0681 30.9574 GPRESSAVG: 2469000 -17.5482 -49.204 40.2562 -49.0419 67.7069 12.8972 44.6224 12.9866 31.8111 TIMING: 2469000 CPU: 7878.9, 0.00314923/step Wall: 7878.9, 0.00314923/step, 2.21408 hours remaining, 233.363281 MB of memory in use. ENERGY: 2469000 4038.3274 20643.4710 14484.1921 252.6424 -203040.4351 2544.6074 0.0000 0.0000 52265.6461 -108811.5487 300.3714 -161077.1948 -108453.4503 300.2649 -61.4629 -38.8283 762201.3289 27.3451 27.3233 PRESSURE: 2469200 52.1096 -282.142 254.094 -282.142 64.4852 42.3149 254.094 42.314 73.5536 GPRESSURE: 2469200 41.347 -280.488 265.955 -175.22 137.97 23.5843 143.319 -88.5297 96.0957 PRESSAVG: 2469200 9.01379 -29.4685 16.7213 -29.4684 36.3044 -1.00623 16.7213 -1.00618 -5.57338 GPRESSAVG: 2469200 9.52299 -29.5272 16.4484 -26.759 36.6756 -0.77861 14.8678 -2.93219 -6.55762 TIMING: 2469200 CPU: 7879.53, 0.003168/step Wall: 7879.53, 0.003168/step, 2.2271 hours remaining, 233.363281 MB of memory in use. ENERGY: 2469200 3966.7892 20705.7319 14507.7332 236.7922 -202906.1501 2712.6386 0.0000 0.0000 52081.9519 -108694.5131 299.3157 -160776.4650 -108339.1209 299.8961 63.3828 91.8043 762861.3245 13.2483 13.2137 PRESSURE: 2469400 -24.0555 -200.417 -261.031 -200.417 126.577 -125.057 -261.032 -125.056 387.69 GPRESSURE: 2469400 -1.13868 -64.7931 -291.932 -166.203 168.124 -99.8212 -226.572 -143.565 403.43 PRESSAVG: 2469400 -19.4792 -34.0877 15.7797 -34.0877 81.7226 27.6198 15.7797 27.6197 -3.0986 GPRESSAVG: 2469400 -20.669 -31.3782 17.3137 -35.2225 80.9558 26.6058 15.9844 30.0069 -1.19069 TIMING: 2469400 CPU: 7880.16, 0.00314261/step Wall: 7880.16, 0.00314261/step, 2.20908 hours remaining, 233.363281 MB of memory in use. ENERGY: 2469400 3949.6443 20530.5605 14534.1736 238.0568 -202685.1392 2554.6781 0.0000 0.0000 52212.4311 -108665.5948 300.0656 -160878.0259 -108298.8108 300.3128 163.4041 190.1384 762968.3259 19.7149 19.6987 PRESSURE: 2469600 50.5435 -84.3352 3.63284 -84.3347 -180.229 85.4012 3.63299 85.4013 100.286 GPRESSURE: 2469600 82.2328 -104.416 -76.6645 -17.3443 -104.006 70.0191 -33.661 15.4861 79.0529 PRESSAVG: 2469600 21.2866 -49.3366 -17.674 -49.3366 21.8241 71.5256 -17.674 71.5256 16.3078 GPRESSAVG: 2469600 21.6222 -52.9693 -17.4618 -48.2309 23.9012 71.1322 -17.7747 72.0397 14.2854 TIMING: 2469600 CPU: 7880.79, 0.00316838/step Wall: 7880.79, 0.00316838/step, 2.22702 hours remaining, 233.363281 MB of memory in use. ENERGY: 2469600 4055.3648 20516.0373 14433.5452 250.9272 -203005.5013 2709.4157 0.0000 0.0000 52074.5459 -108965.6652 299.2731 -161040.2110 -108606.4590 300.0392 -9.7997 19.0931 762451.1728 19.8062 19.9363 PRESSURE: 2469800 4.36741 -35.4858 20.3172 -35.4856 -94.9826 119.129 20.3183 119.129 -147.043 GPRESSURE: 2469800 123.176 2.38995 -11.0059 21.8444 -116.192 194.685 106.078 35.1232 -153.896 PRESSAVG: 2469800 -1.6233 -40.4085 -3.0215 -40.4085 -13.1293 89.5745 -3.0215 89.5745 46.0377 GPRESSAVG: 2469800 -0.513816 -39.4772 -3.04866 -41.3874 -14.9391 92.0402 -3.42803 86.1289 46.48 TIMING: 2469800 CPU: 7881.42, 0.00314599/step Wall: 7881.42, 0.00314599/step, 2.21111 hours remaining, 233.363281 MB of memory in use. ENERGY: 2469800 3966.7051 20558.4085 14488.4097 222.3384 -203135.2421 2550.1708 0.0000 0.0000 52415.3118 -108933.8977 301.2315 -161349.2095 -108578.2456 300.0819 -79.2195 -48.9710 763096.2093 10.4284 10.3424 PRESSURE: 2470000 -378.451 -190.389 149.653 -190.389 -339.79 -195.676 149.653 -195.676 -250.81 GPRESSURE: 2470000 -324.478 -197.177 182.769 -277.047 -287.23 -203.932 112.757 -7.61425 -244.068 PRESSAVG: 2470000 30.1118 -34.1174 -10.5433 -34.1173 -48.4158 38.9706 -10.5433 38.9706 24.0234 GPRESSAVG: 2470000 29.2092 -32.6109 -10.2741 -35.7289 -48.2989 38.7917 -9.50144 42.9824 24.7083 TIMING: 2470000 CPU: 7882.05, 0.00314337/step Wall: 7882.05, 0.00314337/step, 2.20909 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2470000 4000.0198 20370.7527 14455.7777 242.6651 -202605.9443 2365.1816 0.0000 0.0000 52036.1117 -109135.4357 299.0522 -161171.5473 -108777.6081 300.2477 -323.0171 -285.2587 762515.5875 1.9065 1.8729 PRESSURE: 2470200 -116.631 -80.1636 -176.957 -80.1622 -206.028 -124.585 -176.957 -124.585 -180.241 GPRESSURE: 2470200 -13.0115 -99.2016 -217.201 18.9843 -184.705 -36.3136 -121.722 -155.806 -216.406 PRESSAVG: 2470200 43.8526 8.63617 3.43972 8.63622 -41.3717 -3.00618 3.43976 -3.00621 1.63035 GPRESSAVG: 2470200 44.9809 7.82279 2.21393 8.09765 -40.7948 -5.33901 3.0046 -3.67999 0.194224 TIMING: 2470200 CPU: 7882.68, 0.00314973/step Wall: 7882.68, 0.00314973/step, 2.21339 hours remaining, 233.363281 MB of memory in use. ENERGY: 2470200 4143.7667 20663.1334 14483.2628 270.7272 -202538.4554 2074.1642 0.0000 0.0000 52050.8876 -108852.5134 299.1372 -160903.4010 -108505.2242 300.0159 -167.6333 -138.0410 764857.2251 1.3704 1.4601 PRESSURE: 2470400 -248.67 169.82 -110.055 169.821 -382.409 -408.682 -110.055 -408.681 -224.078 GPRESSURE: 2470400 -259.48 129.923 -122.386 66.4951 -389.759 -418.324 -197.189 -317.759 -104.627 PRESSAVG: 2470400 -80.6544 -40.9995 14.7028 -40.9995 33.511 -1.24134 14.7028 -1.24141 -4.4407 GPRESSAVG: 2470400 -81.3742 -40.3652 17.1483 -38.9812 32.9984 0.447238 12.7247 -3.21841 -3.23803 TIMING: 2470400 CPU: 7883.31, 0.00314728/step Wall: 7883.31, 0.00314727/step, 2.21149 hours remaining, 233.363281 MB of memory in use. ENERGY: 2470400 4043.2423 20589.3439 14510.3889 246.8621 -202799.1279 2202.7857 0.0000 0.0000 52099.0847 -109107.4203 299.4142 -161206.5050 -108745.5437 300.1437 -285.0523 -251.2888 764087.4040 -17.1947 -17.2046 PRESSURE: 2470600 -208.721 -32.4844 58.0683 -32.4854 191.651 150.434 58.0673 150.435 122.414 GPRESSURE: 2470600 -136.351 6.26757 37.3521 64.7883 175.856 203.046 29.4613 58.8541 153.132 PRESSAVG: 2470600 -48.1689 14.3511 -16.3496 14.351 15.6883 23.0448 -16.3497 23.0448 -9.87673 GPRESSAVG: 2470600 -47.9878 14.3334 -17.1565 14.2803 14.9791 21.5816 -13.5382 22.9884 -9.53786 TIMING: 2470600 CPU: 7883.94, 0.00316758/step Wall: 7883.94, 0.00316758/step, 2.22558 hours remaining, 233.363281 MB of memory in use. ENERGY: 2470600 4031.5078 20520.6961 14522.9004 236.5219 -203045.8613 2435.3612 0.0000 0.0000 52000.6197 -109298.2543 298.8483 -161298.8739 -108940.0788 299.7491 35.1147 64.2121 761373.1537 -14.1191 -14.1822 PRESSURE: 2470800 277.103 78.3911 57.2695 78.3918 58.4464 -468.248 57.2693 -468.249 326.777 GPRESSURE: 2470800 357.193 61.7917 -64.6899 6.11947 57.2207 -414.521 -97.6846 -451.77 331.295 PRESSAVG: 2470800 19.217 -25.0069 -40.1608 -25.0068 15.1906 -81.0891 -40.1608 -81.0891 14.1239 GPRESSAVG: 2470800 19.082 -26.5156 -39.5643 -25.5493 16.1027 -80.9245 -41.0121 -80.8073 13.2882 TIMING: 2470800 CPU: 7884.58, 0.0031662/step Wall: 7884.58, 0.0031662/step, 2.22443 hours remaining, 233.363281 MB of memory in use. ENERGY: 2470800 4033.3118 20676.9403 14455.7410 254.7723 -203395.9871 2658.8235 0.0000 0.0000 52118.7254 -109197.6728 299.5270 -161316.3982 -108838.1114 299.8339 220.7755 248.5696 761369.8261 16.1772 16.1576 PRESSURE: 2471000 -290.113 -151.749 -31.0285 -151.749 -112.937 255.989 -31.0288 255.989 20.4389 GPRESSURE: 2471000 -197.564 -194.426 -44.159 -108.214 -79.1886 138.332 -24.7437 320.466 14.691 PRESSAVG: 2471000 26.3963 -50.1308 -40.1165 -50.1308 13.0677 -46.21 -40.1165 -46.2102 -10.8347 GPRESSAVG: 2471000 26.5421 -49.4005 -40.8119 -49.8731 13.8105 -46.5782 -40.4194 -46.6929 -11.6087 TIMING: 2471000 CPU: 7885.21, 0.00315948/step Wall: 7885.21, 0.00315948/step, 2.21954 hours remaining, 233.363281 MB of memory in use. ENERGY: 2471000 4010.5258 20517.9600 14437.2609 247.5078 -203145.9867 2596.1174 0.0000 0.0000 52166.0758 -109170.5390 299.7992 -161336.6147 -108803.5505 299.3893 -127.5371 -87.3540 761018.7834 9.5431 9.5813 PRESSURE: 2471200 166.349 -16.9144 -87.9531 -16.9137 224.602 118.93 -87.954 118.932 160.058 GPRESSURE: 2471200 265.518 116.474 -0.261932 -28.3182 125.637 172.756 -257.638 59.3371 264.785 PRESSAVG: 2471200 91.5258 -35.7959 14.7991 -35.7958 -97.4075 -20.4597 14.7991 -20.4596 20.3311 GPRESSAVG: 2471200 92.5827 -35.381 14.0721 -35.3456 -99.1625 -18.2303 13.8027 -19.5629 21.3631 TIMING: 2471200 CPU: 7885.84, 0.00316107/step Wall: 7885.84, 0.00316107/step, 2.22048 hours remaining, 233.363281 MB of memory in use. ENERGY: 2471200 3937.2441 20321.2665 14424.6553 233.2119 -203398.6349 2828.3354 0.0000 0.0000 52359.3129 -109294.6088 300.9097 -161653.9217 -108928.1573 299.1989 183.6695 218.6468 759016.9909 4.8164 4.9278 PRESSURE: 2471400 -13.3299 100.196 -151.667 100.195 -243.046 133.378 -151.668 133.377 -66.6059 GPRESSURE: 2471400 -31.5985 11.0958 -145.658 183.894 -99.622 49.4301 -9.97728 119.792 -91.3045 PRESSAVG: 2471400 -22.8053 -30.3337 11.5619 -30.3337 5.93103 45.2195 11.5618 45.2195 -10.6817 GPRESSAVG: 2471400 -23.529 -31.0272 13.3346 -30.0745 6.72697 41.3319 12.5869 47.0652 -10.529 TIMING: 2471400 CPU: 7886.47, 0.00316159/step Wall: 7886.47, 0.00316159/step, 2.22066 hours remaining, 233.363281 MB of memory in use. ENERGY: 2471400 4032.5770 20527.2831 14454.2153 260.0387 -202761.3567 2174.2310 0.0000 0.0000 51953.1127 -109359.8989 298.5753 -161313.0116 -108991.4666 299.2851 -107.6605 -74.1750 762179.1012 -9.1853 -9.1103 PRESSURE: 2471600 30.6311 -47.1257 -68.5014 -47.1253 187.344 -121.309 -68.503 -121.31 37.6447 GPRESSURE: 2471600 195.679 56.1291 81.8597 20.783 133.34 -135.792 -55.0158 -54.3089 11.2103 PRESSAVG: 2471600 -16.0852 -13.1042 -1.85402 -13.1042 48.1394 -25.1166 -1.85409 -25.1166 -9.87336 GPRESSAVG: 2471600 -13.8865 -12.8372 -3.33562 -12.2385 47.6498 -21.7906 -0.62343 -28.3078 -11.4127 TIMING: 2471600 CPU: 7887.1, 0.00314796/step Wall: 7887.1, 0.00314796/step, 2.21091 hours remaining, 233.363281 MB of memory in use. ENERGY: 2471600 3994.1026 20534.0511 14565.7571 230.4441 -203418.1143 2528.7104 0.0000 0.0000 52186.2692 -109378.7798 299.9152 -161565.0490 -109013.0387 299.5383 85.2066 113.4100 758535.4458 7.3936 7.4502 PRESSURE: 2471800 230.925 22.1532 100.172 22.1541 401.085 -222.8 100.172 -222.8 19.3761 GPRESSURE: 2471800 287.523 -47.8958 130.137 -134.08 415.848 -229.417 88.8748 -211.846 24.5925 PRESSAVG: 2471800 -1.93129 -3.87295 -35.1284 -3.87297 8.10557 -60.1633 -35.1284 -60.1634 -0.398602 GPRESSAVG: 2471800 -3.6708 -2.67 -32.6272 -4.3161 8.41673 -61.1283 -35.0883 -60.7651 1.30885 TIMING: 2471800 CPU: 7887.74, 0.00317113/step Wall: 7887.74, 0.00317113/step, 2.22701 hours remaining, 233.363281 MB of memory in use. ENERGY: 2471800 4025.6903 20310.8666 14467.5986 237.8065 -203480.5425 2666.7014 0.0000 0.0000 51997.1463 -109774.7328 298.8283 -161771.8791 -109403.3993 299.3348 217.1289 242.6543 761049.7336 1.9252 2.0183 PRESSURE: 2472000 68.0983 -80.4212 -49.0519 -80.4221 -4.01754 68.2617 -49.0528 68.2632 26.6756 GPRESSURE: 2472000 126.979 -141.479 6.07192 -79.4449 28.0336 133.545 -73.1972 146.223 28.2361 PRESSAVG: 2472000 -2.44568 -82.2333 4.48448 -82.2333 71.1223 2.35007 4.48456 2.35014 -4.79808 GPRESSAVG: 2472000 -3.01916 -83.8222 3.60199 -81.647 72.2131 2.66946 4.55924 2.59757 -4.68859 TIMING: 2472000 CPU: 7888.37, 0.00316392/step Wall: 7888.37, 0.00316392/step, 2.22178 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2472000 3962.0614 20531.9111 14380.3714 260.3970 -203846.5160 3021.6097 0.0000 0.0000 52135.1567 -109555.0086 299.6215 -161690.1654 -109197.6323 298.7963 30.2521 61.0829 761889.0488 21.2928 21.5018 PRESSURE: 2472200 177.358 -247.359 -201.559 -247.359 -211.455 -113.771 -201.559 -113.771 -202.151 GPRESSURE: 2472200 117.661 -202.444 -216.546 -182.87 -64.423 -126.743 -57.0578 -68.7492 -207.765 PRESSAVG: 2472200 -4.84217 -71.6828 -23.7824 -71.6828 48.1067 -26.7347 -23.7823 -26.7346 8.92782 GPRESSAVG: 2472200 -3.94133 -69.3722 -23.2769 -73.1033 47.9811 -27.5235 -25.3639 -25.8545 7.72533 TIMING: 2472200 CPU: 7889, 0.00315351/step Wall: 7889, 0.00315351/step, 2.21429 hours remaining, 233.363281 MB of memory in use. ENERGY: 2472200 3975.8091 20659.9649 14469.5062 231.8862 -203178.9754 2402.6387 0.0000 0.0000 51874.8177 -109564.3526 298.1253 -161439.1702 -109205.8959 299.3953 -78.7493 -51.5090 761112.2092 17.3974 17.2550 LDB: ============= START OF LOAD BALANCING ============== 7901.42 LDB: ============== END OF LOAD BALANCING =============== 7901.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7901.42 LDB: ============= START OF LOAD BALANCING ============== 7901.74 LDB: Largest compute 7030 load 0.035170 is 18.0% of average load 0.195428 LDB: Average compute 0.004398 is 2.3% of average load 0.195428 LDB: TIME 7901.74 LOAD: AVG 0.195428 MAX 0.21458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 7901.74 LOAD: AVG 0.195428 MAX 0.21458 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 7901.74 LOAD: AVG 0.195428 MAX 0.21458 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 7901.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7901.75 PRESSURE: 2472400 38.6336 23.0375 145.367 23.0371 45.8717 148.65 145.368 148.649 -83.3495 GPRESSURE: 2472400 13.8731 -18.2675 30.3107 -154.209 137.666 101.773 28.2944 -15.9558 -79.2903 PRESSAVG: 2472400 -45.4233 -39.7157 -9.27266 -39.7157 43.212 13.5339 -9.27268 13.5339 -29.4378 GPRESSAVG: 2472400 -45.1171 -42.082 -10.7715 -39.0027 43.0979 15.2958 -8.44681 12.4712 -29.856 TIMING: 2472400 CPU: 7889.64, 0.00320569/step Wall: 7889.64, 0.00320569/step, 2.25075 hours remaining, 233.816406 MB of memory in use. ENERGY: 2472400 3993.3582 20507.5826 14514.7781 247.3047 -203242.5253 2650.9511 0.0000 0.0000 51756.7126 -109571.8380 297.4465 -161328.5506 -109221.6098 298.4185 0.3853 24.0828 761182.4387 -10.5497 -10.6251 PRESSURE: 2472600 -119.975 -44.0321 37.6141 -44.0325 -18.0484 -42.9318 37.6146 -42.9305 -68.3985 GPRESSURE: 2472600 -55.8952 -9.88936 56.698 -84.2066 -0.234195 42.9232 97.3322 -91.1221 -73.1221 PRESSAVG: 2472600 -46.2197 -50.0643 1.4159 -50.0643 21.2117 14.6624 1.41586 14.6625 16.8577 GPRESSAVG: 2472600 -46.2615 -50.3449 3.30481 -49.0409 20.2166 13.1048 0.513431 15.1236 18.0918 TIMING: 2472600 CPU: 7890.27, 0.00316006/step Wall: 7890.27, 0.00316006/step, 2.21853 hours remaining, 234.015625 MB of memory in use. ENERGY: 2472600 4024.4759 20431.0538 14483.4065 234.1550 -203374.8308 2663.5561 0.0000 0.0000 51953.4054 -109584.7780 298.5769 -161538.1834 -109222.0748 298.5206 -68.8072 -43.0838 762282.0068 -2.7168 -2.6511 PRESSURE: 2472800 -50.1834 -59.7992 151.497 -59.7993 -84.7267 -134.674 151.497 -134.674 -3.79779 GPRESSURE: 2472800 -9.82937 -65.6573 278.836 76.4916 -77.0842 -70.0835 104.079 -122.525 39.0361 PRESSAVG: 2472800 -19.2815 27.5006 10.6258 27.5005 -9.35524 31.3917 10.6258 31.3918 -10.5277 GPRESSAVG: 2472800 -19.26 29.75 9.26868 26.452 -9.14255 31.8937 10.2224 31.9397 -11.1457 TIMING: 2472800 CPU: 7890.9, 0.00314531/step Wall: 7890.9, 0.00314531/step, 2.20801 hours remaining, 234.015625 MB of memory in use. ENERGY: 2472800 4071.5639 20484.7646 14429.7114 233.6744 -203317.7606 2565.6199 0.0000 0.0000 51925.4685 -109606.9579 298.4164 -161532.4265 -109244.3839 299.1469 -46.2360 -15.9592 762222.4505 -13.0548 -13.1827 PRESSURE: 2473000 83.924 108.393 231.704 108.392 182.08 53.0988 231.704 53.1005 -42.631 GPRESSURE: 2473000 85.6343 40.4553 218.77 127.807 236.21 16.8526 12.94 116.642 2.1375 PRESSAVG: 2473000 43.5194 13.934 -25.3015 13.9339 -35.2343 20.083 -25.3014 20.083 -4.64985 GPRESSAVG: 2473000 43.09 10.3815 -26.257 15.775 -35.7684 18.6489 -25.1005 19.1547 -3.74705 TIMING: 2473000 CPU: 7891.53, 0.00314037/step Wall: 7891.53, 0.00314037/step, 2.20436 hours remaining, 234.015625 MB of memory in use. ENERGY: 2473000 4031.1932 20517.7589 14428.3511 254.2453 -202953.0227 2463.0218 0.0000 0.0000 51753.0903 -109505.3620 297.4257 -161258.4524 -109152.7551 299.0471 74.4578 107.9938 761513.7710 1.2117 1.1915 PRESSURE: 2473200 457.394 221.258 -3.37007 221.258 174.248 -301.645 -3.36992 -301.643 175.795 GPRESSURE: 2473200 423.637 221.234 -9.53136 34.644 246.529 -260.02 52.8012 -216.541 223.034 PRESSAVG: 2473200 40.4001 3.44625 48.45 3.44627 20.2989 47.783 48.4499 47.7831 12.3147 GPRESSAVG: 2473200 41.7563 4.53477 48.5621 1.80694 20.3685 48.4011 49.8446 48.5595 11.1976 TIMING: 2473200 CPU: 7892.16, 0.00314593/step Wall: 7892.16, 0.00314593/step, 2.20809 hours remaining, 234.015625 MB of memory in use. ENERGY: 2473200 4031.8889 20652.4737 14431.2752 261.0817 -203204.1760 2585.5270 0.0000 0.0000 51864.2051 -109377.7245 298.0643 -161241.9296 -109031.1865 298.8360 269.1454 297.7334 761785.1119 24.3379 24.4408 PRESSURE: 2473400 227.554 71.6773 -212.735 71.6774 -160.373 124.493 -212.736 124.493 -167.043 GPRESSURE: 2473400 281.267 135.434 -196.638 143.284 -121.967 147.246 -218.128 79.9196 -178.672 PRESSAVG: 2473400 62.8624 -29.8951 -11.1403 -29.895 -79.2959 -24.7746 -11.1402 -24.7746 10.5795 GPRESSAVG: 2473400 60.7858 -30.7201 -9.96715 -29.4561 -78.0831 -25.1136 -11.8149 -24.771 11.7813 TIMING: 2473400 CPU: 7892.79, 0.00314769/step Wall: 7892.79, 0.00314769/step, 2.20916 hours remaining, 234.015625 MB of memory in use. ENERGY: 2473400 3983.0402 20407.8403 14500.1149 241.5237 -202858.9529 2317.4885 0.0000 0.0000 51969.7287 -109439.2166 298.6707 -161408.9453 -109074.5537 299.2804 -33.2875 -6.4575 761105.7079 -1.9513 -1.8387 PRESSURE: 2473600 -121.812 -79.0562 67.7342 -79.0563 -146.752 -80.0338 67.7339 -80.0332 114.275 GPRESSURE: 2473600 -15.5438 -2.07136 51.64 -26.3222 -67.4021 -61.622 119.272 -54.8693 16.0303 PRESSAVG: 2473600 -6.17273 -18.9184 32.5024 -18.9183 -11.6072 -12.0518 32.5025 -12.0517 7.48721 GPRESSAVG: 2473600 -4.39354 -18.5147 33.3251 -16.5029 -11.7349 -11.4934 31.5048 -13.5593 6.16765 TIMING: 2473600 CPU: 7893.42, 0.00315701/step Wall: 7893.42, 0.00315701/step, 2.21552 hours remaining, 234.015625 MB of memory in use. ENERGY: 2473600 3981.6504 20458.5744 14421.0786 229.8558 -203304.3136 2620.1904 0.0000 0.0000 52267.5963 -109325.3676 300.3826 -161592.9640 -108970.2611 299.3689 -51.4297 -22.3052 760076.9026 -3.4309 -3.3203 PRESSURE: 2473800 58.6543 35.9241 -256.409 35.924 297.325 23.1601 -256.408 23.1599 -95.9228 GPRESSURE: 2473800 43.6605 71.7091 -243.019 24.903 327.733 94.6263 -257.4 -9.66744 -25.0424 PRESSAVG: 2473800 -20.0047 -74.5955 6.40629 -74.5955 0.589582 -21.9358 6.40628 -21.9359 -8.08522 GPRESSAVG: 2473800 -20.8568 -74.2962 5.64297 -74.6382 -1.01754 -20.6798 8.08232 -19.3137 -5.95397 TIMING: 2473800 CPU: 7894.05, 0.00316727/step Wall: 7894.05, 0.00316727/step, 2.22255 hours remaining, 234.015625 MB of memory in use. ENERGY: 2473800 3972.9190 20420.5697 14505.1103 251.5079 -203232.0507 2555.9939 0.0000 0.0000 52154.9336 -109371.0162 299.7351 -161525.9499 -109015.4098 299.0201 86.6854 115.4502 760508.4109 -9.1668 -9.2761 PRESSURE: 2474000 -351.783 -53.4412 -127.601 -53.4419 -350.886 -106.728 -127.601 -106.729 183.177 GPRESSURE: 2474000 -282.218 -16.3203 -195.244 -15.8295 -311.54 -94.1802 -99.7424 -97.4223 165.742 PRESSAVG: 2474000 -63.4656 -25.8675 -37.2155 -25.8676 29.8865 43.8314 -37.2154 43.8314 -15.367 GPRESSAVG: 2474000 -62.4079 -24.0812 -39.1614 -27.9732 30.8069 42.9159 -36.8912 42.8391 -17.3706 TIMING: 2474000 CPU: 7894.68, 0.0031532/step Wall: 7894.68, 0.0031532/step, 2.21249 hours remaining, 234.015625 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: 2474000 4030.1993 20579.6868 14364.7710 258.0783 -202795.4458 2288.8339 0.0000 0.0000 51841.0207 -109432.8559 297.9311 -161273.8766 -109077.9369 299.0730 -173.1636 -142.6720 762367.6473 -16.3154 -16.3238 PRESSURE: 2474200 233.881 -31.8945 30.7903 -31.8954 203.775 -184.711 30.7906 -184.711 159.729 GPRESSURE: 2474200 236.735 -53.6279 23.5866 51.582 214.446 -147.621 98.3296 -153.782 221.093 PRESSAVG: 2474200 -24.0499 -13.8278 -29.3889 -13.8278 -7.10439 -32.8546 -29.3889 -32.8546 11.8719 GPRESSAVG: 2474200 -24.848 -14.4806 -27.091 -15.0255 -7.14357 -31.6993 -31.2063 -35.1243 12.7739 TIMING: 2474200 CPU: 7895.31, 0.0031495/step Wall: 7895.31, 0.0031495/step, 2.20973 hours remaining, 234.015625 MB of memory in use. ENERGY: 2474200 3947.3430 20467.6278 14400.3376 271.1820 -203531.9780 2880.6566 0.0000 0.0000 52306.0317 -109258.7993 300.6035 -161564.8310 -108894.8400 299.4395 199.1285 224.0912 761646.9128 -6.4275 -6.4059 PRESSURE: 2474400 -12.5836 1.61044 -220.778 1.6114 -64.9583 -61.8893 -220.778 -61.888 27.7111 GPRESSURE: 2474400 18.7415 -51.3425 -220.672 72.4684 -59.3606 -4.20254 -229.174 -44.0441 71.6083 PRESSAVG: 2474400 53.1509 0.021118 -41.1437 0.0211085 18.5198 -9.92788 -41.1438 -9.9278 -12.5714 GPRESSAVG: 2474400 52.4286 -0.214797 -42.1927 -0.0182314 19.6099 -12.2071 -39.2904 -5.91874 -12.5036 TIMING: 2474400 CPU: 7895.95, 0.00316428/step Wall: 7895.95, 0.00316428/step, 2.21992 hours remaining, 234.015625 MB of memory in use. ENERGY: 2474400 3971.0818 20444.5233 14454.0145 237.1520 -203107.5290 2606.6127 0.0000 0.0000 52189.5255 -109204.6192 299.9339 -161394.1448 -108842.9055 299.2671 -16.6103 10.3297 762080.3008 19.6998 19.8450 PRESSURE: 2474600 90.4279 -136.837 -28.3916 -136.837 157.392 69.6181 -28.3927 69.6177 185.724 GPRESSURE: 2474600 83.5496 -163.681 104.51 -150.345 161.639 58.8734 -74.6548 -35.3262 265.64 PRESSAVG: 2474600 -26.9881 -0.728922 5.9363 -0.728838 13.1139 21.9839 5.93624 21.9838 -5.75403 GPRESSAVG: 2474600 -26.4392 -3.92402 6.33181 1.05941 12.55 21.9276 4.99621 21.2937 -5.3017 TIMING: 2474600 CPU: 7896.58, 0.00314494/step Wall: 7896.58, 0.00314494/step, 2.20617 hours remaining, 234.015625 MB of memory in use. ENERGY: 2474600 3972.0073 20565.7914 14475.6340 233.1893 -203910.2522 3026.3628 0.0000 0.0000 52507.1795 -109130.0879 301.7595 -161637.2674 -108760.9293 299.7433 144.5146 170.2763 762086.5208 -6.5427 -6.3970 PRESSURE: 2474800 141.925 -189.024 70.5922 -189.024 187.253 23.1342 70.5923 23.1334 97.556 GPRESSURE: 2474800 223.196 -157.984 173.424 -49.651 146.731 57.4209 -63.0005 56.9677 143.608 PRESSAVG: 2474800 2.79549 -47.4056 -39.6237 -47.4057 4.17958 -23.4992 -39.6237 -23.4992 5.67751 GPRESSAVG: 2474800 2.48158 -45.5899 -40.3569 -49.1597 4.76835 -22.8538 -39.1543 -23.0922 5.2863 TIMING: 2474800 CPU: 7897.2, 0.0031437/step Wall: 7897.2, 0.0031437/step, 2.20513 hours remaining, 234.015625 MB of memory in use. ENERGY: 2474800 3939.8745 20636.8899 14438.3522 262.0296 -203167.5932 2651.8394 0.0000 0.0000 52088.5381 -109150.0695 299.3535 -161238.6076 -108785.8691 300.2593 142.2446 171.1782 760977.3547 4.2175 4.1787 PRESSURE: 2475000 -319.528 -80.694 187.558 -80.6947 -95.2613 25.4727 187.557 25.4721 -246.144 GPRESSURE: 2475000 -281.056 -88.2094 292.257 -34.0769 -25.8661 58.337 115.519 151.498 -244.999 PRESSAVG: 2475000 -10.7584 -17.6339 -12.5509 -17.6339 -13.0869 -15.8484 -12.5509 -15.8484 3.80983 GPRESSAVG: 2475000 -8.81499 -18.1088 -11.1368 -17.5971 -14.5853 -16.4171 -12.9754 -16.4902 3.19103 TIMING: 2475000 CPU: 7897.83, 0.00314777/step Wall: 7897.83, 0.00314777/step, 2.20781 hours remaining, 234.015625 MB of memory in use. ENERGY: 2475000 4032.0870 20380.9988 14533.4594 243.1515 -203186.5261 2556.5737 0.0000 0.0000 52216.8437 -109223.4120 300.0909 -161440.2557 -108850.5309 299.7785 -220.3112 -183.9738 761237.2049 -6.6785 -6.7364 PRESSURE: 2475200 -180.318 51.6876 105.756 51.6884 261.193 -73.9077 105.756 -73.9076 -76.1522 GPRESSURE: 2475200 -183.183 80.3249 132.018 68.1034 296.202 -60.4179 51.7917 -52.5735 -32.3945 PRESSAVG: 2475200 -33.3192 -20.3927 -33.0887 -20.3927 4.18861 -22.0006 -33.0887 -22.0006 13.3372 GPRESSAVG: 2475200 -34.0492 -18.4926 -34.3648 -20.2009 4.66308 -21.0736 -32.2843 -22.7389 13.3337 TIMING: 2475200 CPU: 7898.46, 0.00315419/step Wall: 7898.46, 0.00315419/step, 2.21214 hours remaining, 234.015625 MB of memory in use. ENERGY: 2475200 4046.8763 20565.6923 14535.9605 227.1850 -203486.4612 2671.3742 0.0000 0.0000 52112.2812 -109327.0916 299.4900 -161439.3728 -108965.9070 299.9409 1.5742 26.8748 761904.8338 -5.2645 -5.3508 PRESSURE: 2475400 6.014 -114.177 -51.4727 -114.177 -60.1879 154.951 -51.4736 154.952 -168.342 GPRESSURE: 2475400 34.661 -211.228 -44.2302 12.3751 -59.6008 197.987 -59.13 159.032 -126.267 PRESSAVG: 2475400 40.5155 -34.3553 -31.1932 -34.3553 -40.3551 -62.4313 -31.1931 -62.4314 -11.3322 GPRESSAVG: 2475400 39.932 -35.4959 -29.8632 -35.0774 -40.0118 -62.3139 -32.7911 -62.9263 -10.7332 TIMING: 2475400 CPU: 7899.09, 0.00315212/step Wall: 7899.09, 0.00315212/step, 2.21051 hours remaining, 234.015625 MB of memory in use. ENERGY: 2475400 3919.0607 20495.5425 14546.5305 259.8511 -203181.8521 2567.0686 0.0000 0.0000 52135.3681 -109258.4307 299.6227 -161393.7988 -108896.0583 299.8185 -74.1719 -50.4022 762314.4524 -3.7239 -3.6043 PRESSURE: 2475600 106.573 26.8988 -131.094 26.8976 40.7816 219.912 -131.095 219.913 -229.525 GPRESSURE: 2475600 82.6818 -17.2421 -91.7323 83.6063 170.78 85.9444 -44.4313 189.312 -249.76 PRESSAVG: 2475600 -38.2654 -29.8315 -13.0909 -29.8314 60.9019 -31.0594 -13.0909 -31.0594 3.84792 GPRESSAVG: 2475600 -38.1482 -29.1413 -14.4447 -29.4954 61.208 -32.5154 -12.3376 -30.6013 3.47639 TIMING: 2475600 CPU: 7899.73, 0.00315741/step Wall: 7899.73, 0.00315741/step, 2.21404 hours remaining, 234.015625 MB of memory in use. ENERGY: 2475600 4076.7829 20501.5643 14439.8174 239.0356 -203569.3667 2814.8570 0.0000 0.0000 52223.5674 -109273.7421 300.1296 -161497.3095 -108913.7563 299.5065 -27.3903 1.2338 762750.3302 8.8282 8.8454 PRESSURE: 2475800 32.7113 -174.255 -131.396 -174.255 -22.6972 -340.225 -131.396 -340.224 407.29 GPRESSURE: 2475800 90.1636 -102.6 -104.366 -208.112 42.3108 -364.747 -106.462 -289.565 373.918 PRESSAVG: 2475800 -23.8537 -36.9786 -16.5126 -36.9786 -0.960468 -47.4035 -16.5126 -47.4034 11.5628 GPRESSAVG: 2475800 -24.0305 -37.8981 -16.3566 -36.0328 -1.65218 -47.3466 -16.8509 -47.4672 11.5967 TIMING: 2475800 CPU: 7900.36, 0.00317359/step Wall: 7900.36, 0.00317359/step, 2.22522 hours remaining, 234.015625 MB of memory in use. ENERGY: 2475800 3991.2745 20515.0395 14494.4697 253.1860 -203764.0416 3005.4729 0.0000 0.0000 52199.0503 -109305.5487 299.9887 -161504.5990 -108944.4162 299.3648 139.1014 168.7975 763130.8232 -4.4171 -4.6953 PRESSURE: 2476000 -87.2879 -18.6141 11.453 -18.6125 -103.706 -46.5938 11.4517 -46.5942 321.279 GPRESSURE: 2476000 -113.162 -56.0525 0.690014 -59.0821 6.2193 2.87335 46.6226 -86.0738 326.609 PRESSAVG: 2476000 48.3273 -12.0595 -3.36657 -12.0595 -59.9063 -29.4908 -3.36656 -29.4908 -0.640194 GPRESSAVG: 2476000 47.6956 -11.5621 -1.83458 -12.6648 -59.7183 -27.3205 -3.35001 -29.8875 -0.154192 TIMING: 2476000 CPU: 7900.99, 0.00316047/step Wall: 7900.99, 0.00316047/step, 2.21584 hours remaining, 234.015625 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: 2476000 4070.4741 20429.0752 14453.8667 240.4984 -203066.6509 2661.0759 0.0000 0.0000 51922.8096 -109288.8512 298.4011 -161211.6608 -108931.5664 299.6378 43.4283 73.2223 763242.6387 -4.0731 -4.0590 PRESSURE: 2476200 205.626 -3.15802 92.5428 -3.15893 -77.429 5.14206 92.5427 5.14244 -85.7781 GPRESSURE: 2476200 230.664 -34.4075 66.7683 85.4026 -22.6849 67.6708 116.83 -7.81467 -96.1132 PRESSAVG: 2476200 12.2468 36.5416 2.07369 36.5416 -37.4193 52.9566 2.07368 52.9566 -15.0364 GPRESSAVG: 2476200 13.4861 36.4296 0.498125 36.6158 -38.1156 51.0645 2.73911 54.8055 -15.8385 TIMING: 2476200 CPU: 7901.62, 0.00313855/step Wall: 7901.62, 0.00313855/step, 2.20029 hours remaining, 234.015625 MB of memory in use. ENERGY: 2476200 4053.1665 20434.4905 14489.5464 245.6414 -203225.6004 2471.0277 0.0000 0.0000 52107.1747 -109424.5533 299.4606 -161531.7280 -109061.1683 299.2576 14.1397 37.2885 761712.1168 -13.4030 -13.4893 LDB: ============= START OF LOAD BALANCING ============== 7914.04 LDB: ============== END OF LOAD BALANCING =============== 7914.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7914.05 LDB: ============= START OF LOAD BALANCING ============== 7914.36 LDB: Largest compute 7069 load 0.037513 is 19.2% of average load 0.195526 LDB: Average compute 0.004368 is 2.2% of average load 0.195526 LDB: TIME 7914.37 LOAD: AVG 0.195526 MAX 0.213804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 7914.37 LOAD: AVG 0.195526 MAX 0.213804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: TIME 7914.37 LOAD: AVG 0.195526 MAX 0.213804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: ============== END OF LOAD BALANCING =============== 7914.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7914.37 PRESSURE: 2476400 -145.247 81.1755 234.768 81.1755 -129.146 101.873 234.768 101.874 -483.197 GPRESSURE: 2476400 -181.166 66.9891 148.917 107.223 -122.913 239.307 129.059 -111.544 -372.496 PRESSAVG: 2476400 44.9379 -47.0368 -44.4747 -47.0368 -11.8253 21.4032 -44.4746 21.4033 -9.9553 GPRESSAVG: 2476400 44.5504 -46.3138 -43.2259 -46.7754 -12.4533 20.793 -45.7205 21.0102 -9.10092 TIMING: 2476400 CPU: 7902.27, 0.00323024/step Wall: 7902.27, 0.00323024/step, 2.2644 hours remaining, 234.132812 MB of memory in use. ENERGY: 2476400 4012.7765 20776.5276 14507.4451 254.1159 -202856.2890 2052.1163 0.0000 0.0000 51980.9857 -109272.3218 298.7354 -161253.3075 -108919.2884 299.4475 -252.5299 -225.5247 762198.5577 7.7191 7.6654 PRESSURE: 2476600 -45.1901 -4.92012 6.9842 -4.9188 2.02485 49.1975 6.98462 49.1973 -182.558 GPRESSURE: 2476600 -93.7761 -57.9122 68.7891 -112.155 100.614 61.4322 -40.8066 152.337 -149.206 PRESSAVG: 2476600 -72.2806 -14.384 40.2058 -14.384 25.6951 38.1775 40.2058 38.1775 -1.14783 GPRESSAVG: 2476600 -72.3979 -13.6849 39.4207 -14.4768 26.991 37.3849 41.0399 38.4989 -2.46079 TIMING: 2476600 CPU: 7902.9, 0.00315296/step Wall: 7902.9, 0.00315296/step, 2.21005 hours remaining, 234.335938 MB of memory in use. ENERGY: 2476600 3948.2208 20567.0634 14532.1284 258.8165 -203012.6980 2402.1527 0.0000 0.0000 52285.2361 -109019.0801 300.4840 -161304.3162 -108656.0363 299.5719 -75.2410 -47.4558 763274.6262 -15.9111 -15.9559 PRESSURE: 2476800 -194.323 -175.352 -238.99 -175.352 -335.417 218.213 -238.99 218.212 306.902 GPRESSURE: 2476800 -120.034 -134.283 -308.802 -127.681 -251.094 278.32 -148.61 180.156 240.256 PRESSAVG: 2476800 24.3011 -70.5206 -13.3512 -70.5206 -28.831 48.8853 -13.3513 48.8852 0.875517 GPRESSAVG: 2476800 24.5678 -70.7979 -12.8689 -71.9349 -30.0279 49.0957 -14.6041 48.8668 2.10845 TIMING: 2476800 CPU: 7903.53, 0.0031546/step Wall: 7903.53, 0.0031546/step, 2.21103 hours remaining, 234.335938 MB of memory in use. ENERGY: 2476800 4023.2947 20646.1377 14430.9252 247.0027 -203124.7907 2669.2374 0.0000 0.0000 52290.5590 -108817.6341 300.5146 -161108.1931 -108462.0133 300.4497 -74.2793 -43.6243 763089.4979 -1.2181 -1.1172 PRESSURE: 2477000 86.5019 27.9997 99.8727 28.0002 -359.439 -230.829 99.8721 -230.829 -555.932 GPRESSURE: 2477000 146.848 -151.502 60.6739 180.065 -408.516 -345.637 106.114 -162.39 -460.35 PRESSAVG: 2477000 22.5039 -54.0201 -3.44367 -54.0201 -28.4411 -5.38446 -3.44374 -5.38448 3.36501 GPRESSAVG: 2477000 22.5953 -54.1957 -3.74421 -52.7522 -28.1414 -5.1558 -1.92696 -5.70653 3.18781 TIMING: 2477000 CPU: 7904.16, 0.0031591/step Wall: 7904.16, 0.0031591/step, 2.214 hours remaining, 234.335938 MB of memory in use. ENERGY: 2477000 4074.5759 20569.2794 14497.9102 259.4857 -203476.3846 2379.2841 0.0000 0.0000 52708.8960 -108986.9532 302.9187 -161695.8493 -108623.6536 301.0985 -276.2899 -240.6725 760155.6311 -0.8574 -0.7861 PRESSURE: 2477200 -175.64 56.5346 -175.147 56.5346 -128.01 8.54208 -175.147 8.54245 -202.754 GPRESSURE: 2477200 -194.374 165.249 -159.745 178.442 -114.995 -56.2621 -31.9492 3.77934 -101.336 PRESSAVG: 2477200 70.0043 6.37741 -45.583 6.37739 -41.74 -48.8515 -45.583 -48.8513 5.22409 GPRESSAVG: 2477200 70.0509 5.96494 -45.3707 6.4173 -40.8996 -49.1754 -45.571 -49.1983 4.46241 TIMING: 2477200 CPU: 7904.79, 0.00314215/step Wall: 7904.79, 0.00314215/step, 2.20195 hours remaining, 234.335938 MB of memory in use. ENERGY: 2477200 3941.5647 20573.5120 14522.0040 258.4606 -203198.6253 2647.9591 0.0000 0.0000 52194.6016 -109060.5232 299.9631 -161255.1248 -108688.0803 300.2515 -168.8012 -136.9016 762596.8953 11.1628 11.2046 PRESSURE: 2477400 -161.518 32.518 288.668 32.5186 -367.96 -76.0139 288.668 -76.0137 -151.529 GPRESSURE: 2477400 -137.601 94.6228 252.83 92.0105 -316.97 -88.9725 299.933 -42.5106 -141.054 PRESSAVG: 2477400 33.0221 -31.8487 9.67993 -31.8487 -17.3029 -25.6736 9.6799 -25.6736 12.7847 GPRESSAVG: 2477400 32.4056 -30.2898 10.4007 -32.5093 -17.2002 -25.8414 9.8338 -25.0142 13.0237 TIMING: 2477400 CPU: 7905.42, 0.00316032/step Wall: 7905.42, 0.00316032/step, 2.21451 hours remaining, 234.335938 MB of memory in use. ENERGY: 2477400 3986.5856 20480.8585 14469.6691 260.1713 -203395.8086 2499.8387 0.0000 0.0000 52298.6371 -109400.0484 300.5610 -161698.6854 -109031.1611 299.7156 -227.0020 -198.5418 760416.9952 9.5013 9.4097 PRESSURE: 2477600 -250.383 131.859 270.561 131.86 -339.062 -91.0076 270.562 -91.0073 -10.114 GPRESSURE: 2477600 -202.587 110.752 324.964 111.491 -360.584 -39.6381 167.223 -50.6552 73.6337 PRESSAVG: 2477600 -5.42577 -10.1709 57.3126 -10.1708 19.5737 -14.6996 57.3126 -14.6997 -1.10004 GPRESSAVG: 2477600 -4.39208 -9.70024 58.5902 -9.05668 18.398 -14.4956 56.2703 -13.5411 -0.786226 TIMING: 2477600 CPU: 7906.06, 0.0031715/step Wall: 7906.06, 0.0031715/step, 2.22217 hours remaining, 234.335938 MB of memory in use. ENERGY: 2477600 3983.0332 20439.4491 14460.5779 248.1532 -202938.9660 2220.9410 0.0000 0.0000 52168.3328 -109418.4787 299.8121 -161586.8115 -109048.9707 299.5078 -199.8531 -163.1792 762292.4071 4.3493 4.4065 PRESSURE: 2477800 -132.914 -173.68 -134.365 -173.68 -485.66 138.888 -134.364 138.888 92.4045 GPRESSURE: 2477800 -159.035 -251.287 -175.433 -218.741 -450.502 83.4314 24.9692 48.4677 165.776 PRESSAVG: 2477800 -62.4709 -22.5498 48.1109 -22.5498 56.7341 -10.7398 48.1109 -10.7398 -23.6633 GPRESSAVG: 2477800 -62.7097 -25.6179 46.1758 -23.2166 57.0913 -9.99005 49.0904 -12.7112 -23.9278 TIMING: 2477800 CPU: 7906.68, 0.00314589/step Wall: 7906.68, 0.00314589/step, 2.20404 hours remaining, 234.335938 MB of memory in use. ENERGY: 2477800 3965.8214 20632.9073 14427.6178 249.3950 -202970.2559 2414.1165 0.0000 0.0000 52058.0923 -109222.3055 299.1786 -161280.3979 -108856.7926 299.2587 -175.3900 -147.9205 763325.4701 -9.8000 -9.8487 PRESSURE: 2478000 -87.1435 -207.23 52.0632 -207.23 -465.727 38.7245 52.0628 38.724 13.5101 GPRESSURE: 2478000 -44.6908 -308.224 78.8005 -98.9383 -347.346 107.865 0.0876749 30.5102 -66.535 PRESSAVG: 2478000 -28.8009 -95.1699 41.4129 -95.17 32.0131 -20.0152 41.4128 -20.0152 12.6025 GPRESSAVG: 2478000 -28.5338 -95.0252 40.508 -94.7487 32.6213 -19.5127 41.2712 -21.1234 11.2737 TIMING: 2478000 CPU: 7907.32, 0.00316196/step Wall: 7907.32, 0.00316196/step, 2.21513 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2478000 4042.0490 20412.3214 14432.8857 252.3607 -203189.6559 2565.2799 0.0000 0.0000 52212.5108 -109272.2484 300.0660 -161484.7592 -108907.0446 299.6233 -179.7868 -152.8572 762309.3686 5.2716 5.1204 PRESSURE: 2478200 283.788 230.988 -125.488 230.988 363.833 81.8037 -125.488 81.8033 -97.4005 GPRESSURE: 2478200 332.424 128.108 -152.794 211.836 371.11 128.435 6.68735 84.9906 -70.6437 PRESSAVG: 2478200 1.46733 -24.6685 -8.09834 -24.6684 22.2758 -15.011 -8.09833 -15.0109 -39.5999 GPRESSAVG: 2478200 1.19824 -24.1903 -6.60781 -24.0865 21.2322 -16.231 -9.15454 -12.782 -38.3553 TIMING: 2478200 CPU: 7907.95, 0.00317093/step Wall: 7907.95, 0.00317093/step, 2.22123 hours remaining, 234.335938 MB of memory in use. ENERGY: 2478200 3977.6502 20778.9122 14448.0639 243.8079 -203746.6620 2951.3346 0.0000 0.0000 52085.9592 -109260.9341 299.3387 -161346.8933 -108899.3868 299.5042 183.4069 210.9634 762948.7675 -5.2856 -5.3083 PRESSURE: 2478400 92.0181 16.1423 -133.34 16.1418 -403.538 -11.1911 -133.34 -11.1907 -128.275 GPRESSURE: 2478400 120.258 -9.50137 -167.964 16.5183 -405.178 -83.652 -34.6229 -115.528 -55.9666 PRESSAVG: 2478400 29.1531 -14.153 4.06507 -14.1529 -41.0959 -2.6017 4.06504 -2.60179 3.032 GPRESSAVG: 2478400 28.6501 -13.8203 3.50298 -15.6582 -41.2327 -2.05179 4.89141 -4.77767 4.08564 TIMING: 2478400 CPU: 7908.58, 0.0031446/step Wall: 7908.58, 0.0031446/step, 2.20262 hours remaining, 234.335938 MB of memory in use. ENERGY: 2478400 4055.1535 20499.2126 14508.0998 236.6329 -203194.9745 2399.1291 0.0000 0.0000 52244.4639 -109252.2826 300.2497 -161496.7465 -108886.2364 299.2913 -146.5982 -113.6287 761633.7627 -2.9703 -2.8323 PRESSURE: 2478600 235.7 -203.891 -122.13 -203.89 127.744 -94.5729 -122.131 -94.5726 -67.1484 GPRESSURE: 2478600 183.555 -57.6573 -216.319 -150.782 212.958 -126.946 -57.3503 61.8735 -4.69826 PRESSAVG: 2478600 -14.6914 -31.3256 -53.7009 -31.3256 31.7212 -18.3916 -53.7009 -18.3916 -7.30693 GPRESSAVG: 2478600 -15.353 -29.6019 -54.3836 -31.4218 33.2846 -19.4278 -51.9729 -16.4679 -8.27122 TIMING: 2478600 CPU: 7909.22, 0.00318477/step Wall: 7909.22, 0.00318477/step, 2.23058 hours remaining, 234.335938 MB of memory in use. ENERGY: 2478600 4046.4365 20566.7422 14490.2823 224.9622 -203023.6532 2480.0465 0.0000 0.0000 52392.9677 -108822.2158 301.1031 -161215.1834 -108458.0354 299.8247 98.7651 130.6052 762667.8758 3.2409 3.2201 PRESSURE: 2478800 181.44 161.267 40.3871 161.267 66.2554 -121.823 40.3862 -121.823 -129.181 GPRESSURE: 2478800 142.776 121.491 -46.6207 193.167 126.855 -173.39 147.411 -108.79 -63.9308 PRESSAVG: 2478800 -64.7633 1.45069 -12.1901 1.45071 41.0299 -57.0487 -12.1901 -57.0488 4.79395 GPRESSAVG: 2478800 -64.2387 0.992837 -12.7377 0.155741 40.559 -56.5163 -14.6981 -58.4146 4.62233 TIMING: 2478800 CPU: 7909.85, 0.00316777/step Wall: 7909.85, 0.00316777/step, 2.21849 hours remaining, 234.335938 MB of memory in use. ENERGY: 2478800 4062.7844 20528.3857 14453.1902 242.7402 -203022.8066 2460.1268 0.0000 0.0000 52299.0233 -108976.5560 300.5632 -161275.5793 -108614.8361 300.2147 39.5047 68.5667 761871.9304 -6.3132 -6.3525 PRESSURE: 2479000 174.089 -2.18962 -12.5475 -2.18885 278.475 114.285 -12.548 114.285 116.289 GPRESSURE: 2479000 259.859 -36.0172 24.2474 47.5837 244.147 81.285 -21.6712 44.5999 151.432 PRESSAVG: 2479000 -34.4566 -37.8391 10.8059 -37.839 31.5657 -10.9069 10.8059 -10.907 -0.541124 GPRESSAVG: 2479000 -35.0019 -39.691 13.2861 -34.7241 32.1896 -10.5207 10.5326 -9.88905 -0.335252 TIMING: 2479000 CPU: 7910.48, 0.00317217/step Wall: 7910.48, 0.00317217/step, 2.2214 hours remaining, 234.335938 MB of memory in use. ENERGY: 2479000 3966.4424 20694.4778 14461.8606 252.8151 -203098.5433 2545.3301 0.0000 0.0000 52237.9315 -108939.6858 300.2121 -161177.6173 -108582.2940 299.8900 189.6175 218.4794 762427.9186 -1.1440 -1.0492 PRESSURE: 2479200 -175.669 -58.3749 215.32 -58.3749 -37.316 53.3881 215.32 53.3891 248.657 GPRESSURE: 2479200 -151.35 -8.61448 218.287 -68.8728 -49.4615 113.629 188.004 -3.73336 310.672 PRESSAVG: 2479200 32.0049 -34.6579 5.12412 -34.6578 9.47616 2.86417 5.12408 2.86421 -0.632371 GPRESSAVG: 2479200 32.1371 -35.0731 4.81948 -35.3669 9.81356 2.94612 4.67042 2.25158 -0.455717 TIMING: 2479200 CPU: 7911.12, 0.00317056/step Wall: 7911.12, 0.00317056/step, 2.2201 hours remaining, 234.335938 MB of memory in use. ENERGY: 2479200 3978.5952 20614.8974 14605.5463 229.2644 -202951.6270 2510.1177 0.0000 0.0000 51879.8261 -109133.3799 298.1541 -161013.2060 -108763.6945 299.7323 11.8907 36.6200 762259.0887 13.6162 13.8317 PRESSURE: 2479400 311.253 -191.732 -52.3471 -191.733 195.1 -236.804 -52.3464 -236.804 208.952 GPRESSURE: 2479400 258.989 -191.102 32.5571 -186.113 326.658 -230.295 -140.394 -209.844 231.056 PRESSAVG: 2479400 -29.1464 -70.0697 -37.8157 -70.0697 13.7656 52.0712 -37.8156 52.0712 -3.23134 GPRESSAVG: 2479400 -29.0082 -68.6364 -37.9752 -71.2886 14.128 50.9275 -36.2149 50.9823 -3.57679 TIMING: 2479400 CPU: 7911.75, 0.00316546/step Wall: 7911.75, 0.00316546/step, 2.21635 hours remaining, 234.335938 MB of memory in use. ENERGY: 2479400 4013.8848 20658.2328 14472.1095 240.6040 -202946.7408 2543.8308 0.0000 0.0000 51972.5368 -109045.5420 298.6869 -161018.0788 -108695.3134 299.6867 238.4349 272.2344 761114.2304 -6.2041 -6.1523 PRESSURE: 2479600 -328.812 -6.92985 -123.241 -6.93033 -335.756 -105.681 -123.241 -105.681 -493.004 GPRESSURE: 2479600 -312.708 16.8842 -208.555 99.4948 -298.343 -56.9019 -161.108 -52.7586 -447.506 PRESSAVG: 2479600 -49.2656 -40.133 -19.5083 -40.133 29.9377 9.34856 -19.5083 9.34849 -1.75539 GPRESSAVG: 2479600 -48.9214 -40.6208 -19.7494 -38.1847 29.8676 10.0019 -20.7971 8.86097 -1.86089 TIMING: 2479600 CPU: 7912.39, 0.00317321/step Wall: 7912.39, 0.00317321/step, 2.2216 hours remaining, 234.335938 MB of memory in use. ENERGY: 2479600 3945.5347 20534.9693 14447.1159 254.3400 -203220.5399 2330.5498 0.0000 0.0000 52448.5570 -109259.4733 301.4226 -161708.0302 -108895.0583 299.9294 -385.8573 -352.8525 761170.2343 -7.0278 -6.9715 PRESSURE: 2479800 290.145 -287.966 -4.67825 -287.965 -321.711 165.396 -4.67809 165.396 164.576 GPRESSURE: 2479800 245.447 -269.12 0.959577 -246.212 -182.233 131.613 62.7824 219.658 178.301 PRESSAVG: 2479800 -17.6731 11.4165 -20.1356 11.4165 32.727 78.2324 -20.1356 78.2325 -18.3484 GPRESSAVG: 2479800 -18.2725 10.687 -19.8565 11.8891 33.6261 77.5439 -19.3611 80.7896 -18.129 TIMING: 2479800 CPU: 7913.02, 0.00317883/step Wall: 7913.02, 0.00317883/step, 2.22536 hours remaining, 234.335938 MB of memory in use. ENERGY: 2479800 3955.4283 20468.4227 14484.4424 268.1367 -203294.0341 2821.7782 0.0000 0.0000 51940.2115 -109355.6143 298.5011 -161295.8258 -108992.8629 299.0432 44.3368 80.5052 762168.3465 -1.0982 -0.9251 PRESSURE: 2480000 -40.4608 79.867 -6.02908 79.8671 21.3971 46.6417 -6.02902 46.6421 -374.86 GPRESSURE: 2480000 21.4068 32.9227 -63.2005 -1.02953 -67.9845 141.738 154.465 -70.1814 -258.25 PRESSAVG: 2480000 20.5698 0.654732 10.3842 0.654779 -37.9787 21.8307 10.3841 21.8307 24.2839 GPRESSAVG: 2480000 21.8998 2.2731 10.823 -2.25554 -39.8267 21.7806 9.15945 20.3275 24.5204 TIMING: 2480000 CPU: 7913.65, 0.00314954/step Wall: 7913.65, 0.00314954/step, 2.20468 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2480000 4049.1725 20437.1697 14453.4729 234.4891 -202923.8431 2264.0347 0.0000 0.0000 52031.3973 -109454.1069 299.0252 -161485.5042 -109089.7775 298.2963 -131.3079 -101.6093 763209.7488 2.2917 2.1979 PRESSURE: 2480200 -121.857 -115.191 48.1437 -115.19 31.8898 85.0294 48.1434 85.0303 -93.7438 GPRESSURE: 2480200 -162.15 -31.8962 35.774 -92.8039 84.3955 10.1127 88.1888 89.2294 -5.65313 PRESSAVG: 2480200 -20.5937 -12.4023 14.7826 -12.4023 26.5873 13.7444 14.7826 13.7445 4.31138 GPRESSAVG: 2480200 -20.3866 -13.3079 13.6142 -9.97701 26.9141 15.3718 16.2376 13.7396 3.75011 TIMING: 2480200 CPU: 7914.28, 0.00315635/step Wall: 7914.28, 0.00315635/step, 2.20927 hours remaining, 234.335938 MB of memory in use. ENERGY: 2480200 3940.2825 20468.4827 14484.6185 227.7608 -203342.4018 2628.2539 0.0000 0.0000 51891.1646 -109701.8389 298.2192 -161593.0035 -109338.3533 298.6804 -61.2369 -27.8027 761730.1892 3.4350 3.4259 LDB: ============= START OF LOAD BALANCING ============== 7926.71 LDB: ============== END OF LOAD BALANCING =============== 7926.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7926.71 LDB: ============= START OF LOAD BALANCING ============== 7927.03 LDB: Largest compute 7069 load 0.036776 is 18.8% of average load 0.195462 LDB: Average compute 0.004369 is 2.2% of average load 0.195462 LDB: TIME 7927.03 LOAD: AVG 0.195462 MAX 0.216206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 7927.03 LOAD: AVG 0.195462 MAX 0.216206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: TIME 7927.03 LOAD: AVG 0.195462 MAX 0.216206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: ============== END OF LOAD BALANCING =============== 7927.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7927.04 PRESSURE: 2480400 -352.617 60.6009 278.455 60.6007 77.7992 -135.346 278.455 -135.344 28.7829 GPRESSURE: 2480400 -281.415 74.6533 246.161 -16.6545 55.1415 -96.3111 316.946 -151.837 53.9448 PRESSAVG: 2480400 -125.416 -63.597 53.9133 -63.597 61.9949 -9.75144 53.9133 -9.75138 14.5254 GPRESSAVG: 2480400 -125.715 -63.9401 55.5838 -67.732 62.0385 -10.1379 51.7303 -9.96199 15.2465 TIMING: 2480400 CPU: 7914.93, 0.00323172/step Wall: 7914.93, 0.00323172/step, 2.26184 hours remaining, 233.625000 MB of memory in use. ENERGY: 2480400 4010.3182 20587.8851 14444.7259 250.3534 -203505.4941 2595.0679 0.0000 0.0000 51870.4331 -109746.7105 298.1001 -161617.1436 -109390.0132 298.6683 -82.0115 -57.4430 762052.9595 -16.2986 -16.1433 PRESSURE: 2480600 163.257 -109.736 18.5266 -109.737 -24.5061 31.5274 18.5268 31.5259 158.281 GPRESSURE: 2480600 202.261 -70.3062 -32.3033 -187.22 9.63613 37.284 -86.7427 -17.473 182.491 PRESSAVG: 2480600 27.6087 -57.6388 61.0004 -57.6388 21.0442 30.6888 61.0003 30.6887 8.25135 GPRESSAVG: 2480600 26.8706 -56.7382 58.0769 -56.5479 21.6655 31.0248 62.5414 30.4615 8.07432 TIMING: 2480600 CPU: 7915.57, 0.00317905/step Wall: 7915.57, 0.00317905/step, 2.2248 hours remaining, 233.625000 MB of memory in use. ENERGY: 2480600 3952.1980 20540.6161 14420.3561 263.3694 -203302.1913 2696.6600 0.0000 0.0000 51887.2209 -109541.7708 298.1966 -161428.9917 -109177.6661 298.5468 99.0108 131.4630 760047.4923 18.9681 18.8702 PRESSURE: 2480800 287.63 -265.259 -49.3532 -265.259 117.374 -86.3719 -49.3527 -86.3713 -84.9268 GPRESSURE: 2480800 310.308 -288.896 -46.5932 -339.489 136.616 -66.579 100.461 -113.405 -49.1994 PRESSAVG: 2480800 -11.8001 -58.3337 27.2834 -58.3338 45.2131 13.1883 27.2834 13.1883 21.9099 GPRESSAVG: 2480800 -12.4443 -59.1716 28.3694 -57.6721 45.4838 12.3353 27.3421 13.9972 22.0948 TIMING: 2480800 CPU: 7916.19, 0.00313835/step Wall: 7916.19, 0.00313835/step, 2.19615 hours remaining, 233.625000 MB of memory in use. ENERGY: 2480800 3983.0777 20480.7778 14521.9257 234.5049 -203233.7393 2524.5119 0.0000 0.0000 52068.1179 -109420.8234 299.2362 -161488.9413 -109048.2626 299.1496 106.6924 132.5750 761954.7885 18.4410 18.3781 PRESSURE: 2481000 179.942 131.083 -4.08304 131.083 321.359 -239.972 -4.08385 -239.972 275.8 GPRESSURE: 2481000 233.012 225.874 14.7703 93.9691 379.851 -260.867 -71.2774 -227.215 227.918 PRESSAVG: 2481000 7.17347 -36.666 27.483 -36.666 -24.3041 -19.4491 27.483 -19.4491 2.8836 GPRESSAVG: 2481000 8.62338 -37.3251 28.0459 -36.173 -24.5561 -20.0886 27.9914 -17.5658 1.6039 TIMING: 2481000 CPU: 7916.82, 0.00315574/step Wall: 7916.82, 0.00315574/step, 2.20814 hours remaining, 233.625000 MB of memory in use. ENERGY: 2481000 4007.6017 20558.3013 14415.5477 248.8206 -203375.1323 2646.7701 0.0000 0.0000 52127.9017 -109370.1892 299.5798 -161498.0909 -109023.8605 299.0748 259.0336 280.2606 760803.4219 -4.7490 -4.7763 PRESSURE: 2481200 157.247 -99.5547 13.6477 -99.5547 -10.1682 -216.092 13.6473 -216.092 -276.468 GPRESSURE: 2481200 170.994 -156.741 23.7306 -159.585 47.3073 -201.152 -52.9105 -162.866 -255.312 PRESSAVG: 2481200 -42.6993 -58.6998 -22.0215 -58.6998 26.4731 -21.3402 -22.0215 -21.3403 12.6149 GPRESSAVG: 2481200 -43.0748 -59.1046 -22.2901 -58.276 26.5922 -21.1144 -22.7084 -24.3145 13.4235 TIMING: 2481200 CPU: 7917.45, 0.00314777/step Wall: 7917.45, 0.00314777/step, 2.20239 hours remaining, 233.625000 MB of memory in use. ENERGY: 2481200 3961.5131 20461.3058 14397.9355 238.8413 -203569.6716 2831.1420 0.0000 0.0000 52116.7580 -109562.1761 299.5157 -161678.9341 -109196.7005 298.9956 -43.1298 -12.3369 761992.6166 -1.2037 -1.0197 PRESSURE: 2481400 -294.401 7.15436 -43.8816 7.15408 -337.32 -37.1816 -43.8813 -37.1813 -96.3625 GPRESSURE: 2481400 -241.346 -64.5319 -100.312 -17.4643 -204.089 -19.5673 37.8045 -168.305 -193.034 PRESSAVG: 2481400 55.675 -47.203 -19.4972 -47.203 -24.5158 33.073 -19.4972 33.0729 -2.94894 GPRESSAVG: 2481400 56.1018 -44.2344 -19.2525 -48.475 -25.0042 33.3218 -17.5891 32.3064 -2.75427 TIMING: 2481400 CPU: 7918.09, 0.00316549/step Wall: 7918.09, 0.00316549/step, 2.21461 hours remaining, 233.625000 MB of memory in use. ENERGY: 2481400 4031.5579 20474.3516 14436.6827 225.6631 -203096.3853 2429.0667 0.0000 0.0000 52049.0661 -109449.9971 299.1267 -161499.0633 -109083.3368 299.3548 -242.6945 -212.8231 761979.0498 9.4034 9.4478 PRESSURE: 2481600 176.155 -82.2671 -14.1235 -82.2666 121.737 -8.35122 -14.123 -8.35124 463.815 GPRESSURE: 2481600 171.245 -127.956 -38.9922 105.433 170.568 50.771 22.9572 22.983 525.882 PRESSAVG: 2481600 9.94811 -81.0319 -28.2823 -81.0318 -43.7819 -16.3178 -28.2823 -16.3178 8.57476 GPRESSAVG: 2481600 9.6435 -82.6344 -29.838 -79.5382 -44.8235 -15.8872 -28.652 -15.5382 9.74938 TIMING: 2481600 CPU: 7918.72, 0.00316268/step Wall: 7918.72, 0.00316268/step, 2.21247 hours remaining, 233.625000 MB of memory in use. ENERGY: 2481600 3935.4722 20487.2950 14511.3769 231.4187 -203511.9703 2719.8350 0.0000 0.0000 51896.3420 -109730.2305 298.2490 -161626.5725 -109374.4014 298.6747 253.9024 289.2315 759149.5613 -8.4197 -8.4769 PRESSURE: 2481800 -245.992 -81.9371 -94.0273 -81.9376 108.113 -139.417 -94.0272 -139.417 -178.957 GPRESSURE: 2481800 -179.58 -133.779 -79.7216 -55.1657 162.605 3.76457 -110.594 -116.366 -196.969 PRESSAVG: 2481800 -24.1123 -102.429 8.88061 -102.429 -3.24413 -19.7334 8.88063 -19.7334 6.71197 GPRESSAVG: 2481800 -24.8791 -104.178 8.05157 -101.635 -0.932501 -18.6286 8.06019 -19.9222 5.57119 TIMING: 2481800 CPU: 7919.36, 0.00318354/step Wall: 7919.36, 0.00318354/step, 2.22689 hours remaining, 233.625000 MB of memory in use. ENERGY: 2481800 3977.6473 20426.9193 14486.4266 233.8466 -203420.5320 2583.4171 0.0000 0.0000 51975.9759 -109736.2991 298.7066 -161712.2750 -109368.2380 298.4064 -105.6119 -71.3145 761410.6061 -6.8815 -6.7468 PRESSURE: 2482000 2.31726 -344.264 -61.2763 -344.264 114.422 -30.7951 -61.2763 -30.796 -185.53 GPRESSURE: 2482000 97.4156 -284.743 -85.534 -311.843 125.362 -10.5708 87.1697 -116.371 -197.221 PRESSAVG: 2482000 -10.4422 -95.8701 10.0354 -95.8701 5.32024 -12.1067 10.0354 -12.1066 11.0327 GPRESSAVG: 2482000 -10.399 -95.0701 11.962 -97.2125 5.03627 -13.3546 7.91457 -11.1082 11.3789 TIMING: 2482000 CPU: 7919.99, 0.00317918/step Wall: 7919.99, 0.00317918/step, 2.22366 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2482000 3957.8311 20681.6468 14501.1834 228.8403 -203050.5726 2350.6207 0.0000 0.0000 51678.2246 -109652.2257 296.9955 -161330.4503 -109309.8203 298.5484 -22.9305 8.5187 759855.4200 1.9702 2.0054 PRESSURE: 2482200 -175.329 -337.449 -230.643 -337.449 -205.598 -68.5023 -230.642 -68.5015 -365.413 GPRESSURE: 2482200 -119.472 -293.308 -175.765 -317.739 -101.544 -39.9502 -245.684 -94.238 -429.833 PRESSAVG: 2482200 -4.7397 -98.7255 11.0014 -98.7254 -7.93174 5.26759 11.0015 5.26759 -17.7803 GPRESSAVG: 2482200 -4.86646 -100.09 12.23 -99.4883 -8.23405 3.48035 14.8689 6.48071 -17.4986 TIMING: 2482200 CPU: 7920.62, 0.00315539/step Wall: 7920.62, 0.00315539/step, 2.20684 hours remaining, 233.625000 MB of memory in use. ENERGY: 2482200 3899.1313 20378.7532 14531.1493 229.7719 -203022.6768 2164.7796 0.0000 0.0000 52069.9248 -109749.1667 299.2466 -161819.0916 -109384.9216 298.7823 -248.7803 -216.9496 761791.9684 -10.1506 -10.1997 PRESSURE: 2482400 -4.01132 -52.6301 282.561 -52.6305 -68.3709 166.324 282.562 166.324 -241.118 GPRESSURE: 2482400 35.7173 -52.4108 230.555 -98.7703 -77.946 152.773 258.975 15.307 -177.617 PRESSAVG: 2482400 -22.9117 -82.4521 -2.64931 -82.4521 72.0074 -21.1806 -2.64926 -21.1807 1.48547 GPRESSAVG: 2482400 -23.2527 -78.0671 -5.5594 -81.5553 73.1201 -18.5025 -0.799003 -25.3971 1.15663 TIMING: 2482400 CPU: 7921.26, 0.0031615/step Wall: 7921.26, 0.0031615/step, 2.21094 hours remaining, 233.625000 MB of memory in use. ENERGY: 2482400 3994.8688 20614.9300 14523.0161 254.7115 -203001.3700 2215.6186 0.0000 0.0000 51917.5576 -109480.6674 298.3709 -161398.2250 -109120.8765 298.7627 -104.5002 -73.2819 759874.6516 16.8604 17.0080 PRESSURE: 2482600 -68.8684 -174.362 203.444 -174.363 118.381 81.9007 203.446 81.9007 165.984 GPRESSURE: 2482600 -95.3413 -138.608 236.949 18.1532 161.279 111.747 196.204 114.139 227.057 PRESSAVG: 2482600 50.4242 -121.089 43.5331 -121.089 -31.9489 -16.6068 43.5331 -16.6068 -5.24765 GPRESSAVG: 2482600 49.8068 -121.536 44.3602 -120.703 -32.1899 -16.4774 39.8289 -14.9897 -4.39425 TIMING: 2482600 CPU: 7921.89, 0.00317955/step Wall: 7921.89, 0.00317955/step, 2.22339 hours remaining, 233.625000 MB of memory in use. ENERGY: 2482600 3973.1294 20710.0674 14568.2795 254.1106 -203156.8057 2383.7319 0.0000 0.0000 52020.9675 -109246.5195 298.9652 -161267.4870 -108884.3254 299.3373 71.8320 97.6647 758898.5813 4.4092 4.4075 PRESSURE: 2482800 1.35963 -27.9688 -202.899 -27.9689 190.856 13.8367 -202.899 13.8359 15.4916 GPRESSURE: 2482800 68.5099 -33.247 -182.231 -98.5514 218.304 -54.2238 -116.044 -85.6017 9.0099 PRESSAVG: 2482800 -6.70694 -83.3649 -9.56036 -83.3649 -18.99 -16.3073 -9.56034 -16.3073 10.0341 GPRESSAVG: 2482800 -6.11921 -84.6072 -8.4466 -85.2379 -19.7704 -17.7723 -9.30268 -15.1677 10.2824 TIMING: 2482800 CPU: 7922.52, 0.00315281/step Wall: 7922.52, 0.00315282/step, 2.20452 hours remaining, 233.625000 MB of memory in use. ENERGY: 2482800 4041.2362 20574.2326 14504.5769 252.1464 -202885.8020 2432.7550 0.0000 0.0000 51990.5937 -109090.2612 298.7907 -161080.8549 -108732.4668 300.0406 69.2357 98.6081 759441.6460 -5.2210 -5.2024 PRESSURE: 2483000 -621.285 54.5116 1.20028 54.5116 -552.55 -30.3209 1.20074 -30.3205 -751.948 GPRESSURE: 2483000 -621.295 10.5024 27.6949 139.597 -472.161 26.178 -123.621 3.34233 -742.801 PRESSAVG: 2483000 -89.8001 -46.3896 -36.1134 -46.3896 86.3375 15.0339 -36.1134 15.0338 10.9321 GPRESSAVG: 2483000 -88.5435 -46.7506 -36.1299 -43.9853 86.3484 15.5468 -36.3621 14.9021 9.44681 TIMING: 2483000 CPU: 7923.15, 0.00315472/step Wall: 7923.15, 0.00315472/step, 2.20568 hours remaining, 233.625000 MB of memory in use. ENERGY: 2483000 4071.8893 20535.3313 14505.4187 241.8968 -202594.9596 1854.6891 0.0000 0.0000 52110.3222 -109275.4122 299.4787 -161385.7344 -108912.9283 299.9982 -641.9277 -612.0857 761847.9649 2.4898 2.4172 PRESSURE: 2483200 -300.054 -52.2845 -7.23704 -52.2842 -77.267 121.129 -7.23589 121.129 -172.391 GPRESSURE: 2483200 -219.39 -155.187 -129.369 69.3541 -37.3424 153.732 54.0724 40.4297 -186.918 PRESSAVG: 2483200 -48.9698 -33.3148 37.7975 -33.3149 40.1888 35.1117 37.7975 35.1117 15.0094 GPRESSAVG: 2483200 -49.8056 -32.9508 35.148 -35.7783 40.2022 35.365 39.2932 36.3118 16.0123 TIMING: 2483200 CPU: 7923.78, 0.00315465/step Wall: 7923.78, 0.00315465/step, 2.20545 hours remaining, 233.625000 MB of memory in use. ENERGY: 2483200 3982.5819 20683.5494 14488.1857 238.6173 -203151.3911 2502.6745 0.0000 0.0000 52152.0713 -109103.7110 299.7187 -161255.7823 -108738.9214 299.5497 -183.2373 -147.8834 761504.6271 2.0761 2.1363 PRESSURE: 2483400 204.017 -83.0434 -142.757 -83.0425 186.269 132.794 -142.757 132.795 -216.892 GPRESSURE: 2483400 207.457 -54.1948 -118.493 37.9441 130.729 100.552 -209.25 135.781 -82.2642 PRESSAVG: 2483400 68.0672 -47.495 18.8425 -47.495 0.328402 -20.1174 18.8424 -20.1174 -1.01665 GPRESSAVG: 2483400 68.5848 -48.5443 22.1607 -45.5683 0.486375 -18.6169 17.5017 -20.8282 -2.22778 TIMING: 2483400 CPU: 7924.41, 0.00314393/step Wall: 7924.41, 0.00314393/step, 2.19778 hours remaining, 233.625000 MB of memory in use. ENERGY: 2483400 4038.9513 20605.0080 14496.3768 251.7343 -203333.5577 2538.1216 0.0000 0.0000 52107.2786 -109296.0872 299.4612 -161403.3657 -108938.0693 300.2942 57.7978 85.3073 761479.1713 22.4597 22.2811 PRESSURE: 2483600 12.2837 -143.971 -63.6945 -143.971 203.665 4.12347 -63.6949 4.12384 -420.359 GPRESSURE: 2483600 8.42383 -93.5564 -157.517 -101.907 323.512 40.8615 -101.378 -21.2464 -463.582 PRESSAVG: 2483600 18.0739 -99.4935 36.275 -99.4935 -13.145 9.94813 36.275 9.94811 -4.96607 GPRESSAVG: 2483600 17.4457 -96.5561 34.6285 -101.289 -12.4236 7.74395 39.1824 9.40793 -5.72685 TIMING: 2483600 CPU: 7925.04, 0.00314179/step Wall: 7925.04, 0.00314179/step, 2.19611 hours remaining, 233.625000 MB of memory in use. ENERGY: 2483600 4062.8248 20590.7804 14451.8163 249.7787 -203454.3178 2738.2034 0.0000 0.0000 52090.6771 -109270.2369 299.3658 -161360.9140 -108909.2563 299.5403 -68.1368 -43.8823 762569.7312 -0.0124 -0.2349 PRESSURE: 2483800 -206.722 -136.053 -5.35939 -136.052 -173.622 -39.407 -5.35985 -39.4074 -251.574 GPRESSURE: 2483800 -205.671 -56.1969 -6.33499 -134.891 -96.2611 11.6177 -128.314 -56.2172 -237.24 PRESSAVG: 2483800 -26.7381 -84.4712 -25.7854 -84.4713 25.3043 2.53262 -25.7853 2.5326 0.659289 GPRESSAVG: 2483800 -26.2324 -88.4349 -24.7884 -82.2962 24.2671 4.03321 -28.1126 0.641485 0.872028 TIMING: 2483800 CPU: 7925.67, 0.00314626/step Wall: 7925.67, 0.00314627/step, 2.19907 hours remaining, 233.625000 MB of memory in use. ENERGY: 2483800 4019.2882 20540.5840 14520.4531 266.3451 -203189.4548 2387.9602 0.0000 0.0000 52243.8878 -109210.9364 300.2463 -161454.8242 -108839.0642 300.0175 -210.6391 -179.7243 762237.4266 -0.2582 -0.3644 PRESSURE: 2484000 -159.489 -213.014 -58.0486 -213.015 -8.90017 38.517 -58.0484 38.5163 -400.603 GPRESSURE: 2484000 -173.167 -126.445 -95.7885 -228.069 50.7294 10.1905 -91.6521 46.5174 -352.232 PRESSAVG: 2484000 -33.7603 -75.3089 -11.5124 -75.309 29.0142 -23.8498 -11.5123 -23.8497 -16.1792 GPRESSAVG: 2484000 -33.8334 -74.4447 -12.9533 -76.469 29.5537 -24.0532 -10.0199 -21.4122 -16.2555 TIMING: 2484000 CPU: 7926.3, 0.00316069/step Wall: 7926.3, 0.00316069/step, 2.20897 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2484000 4040.8465 20466.2629 14431.0621 231.5951 -202854.9207 2244.2223 0.0000 0.0000 51993.3766 -109447.5551 298.8067 -161440.9318 -109080.1929 299.5977 -189.6640 -158.2233 762948.6289 -6.9751 -6.8451 PRESSURE: 2484200 103.627 -22.698 -176.063 -22.6985 -284.413 94.1826 -176.062 94.1829 84.3203 GPRESSURE: 2484200 98.0013 -107.44 -189.862 -38.3343 -170.834 80.3017 -299.465 148.914 58.159 PRESSAVG: 2484200 -20.4755 -88.3571 -8.83243 -88.357 14.7204 9.37531 -8.83246 9.37536 13.5334 GPRESSAVG: 2484200 -21.1353 -89.1084 -8.18924 -89.2152 14.8427 8.48383 -9.62652 9.75942 13.6254 TIMING: 2484200 CPU: 7926.94, 0.00316622/step Wall: 7926.94, 0.00316622/step, 2.21266 hours remaining, 233.625000 MB of memory in use. ENERGY: 2484200 4055.2513 20605.2114 14500.4698 241.1259 -203516.2228 2496.8356 0.0000 0.0000 52333.6334 -109283.6953 300.7621 -161617.3287 -108923.5700 299.3132 -32.1554 -4.8911 761666.0060 2.5927 2.4442 LDB: ============= START OF LOAD BALANCING ============== 7939.36 LDB: ============== END OF LOAD BALANCING =============== 7939.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7939.36 LDB: ============= START OF LOAD BALANCING ============== 7939.68 LDB: Largest compute 7069 load 0.036296 is 18.6% of average load 0.195476 LDB: Average compute 0.004389 is 2.2% of average load 0.195476 LDB: TIME 7939.68 LOAD: AVG 0.195476 MAX 0.213145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 7939.68 LOAD: AVG 0.195476 MAX 0.213145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: TIME 7939.68 LOAD: AVG 0.195476 MAX 0.213145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: ============== END OF LOAD BALANCING =============== 7939.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7939.69 PRESSURE: 2484400 204.169 86.3873 106.251 86.3861 161.455 178.618 106.252 178.618 247.25 GPRESSURE: 2484400 269.864 158.052 66.8866 143.494 179.82 171.562 53.3136 110.374 239.681 PRESSAVG: 2484400 -27.3114 -30.294 3.79179 -30.294 14.9762 -2.5249 3.79173 -2.52499 -16.399 GPRESSAVG: 2484400 -26.9772 -29.6105 3.95512 -29.0257 14.4895 -1.3293 4.5461 -2.95572 -15.8662 TIMING: 2484400 CPU: 7927.58, 0.00322476/step Wall: 7927.58, 0.00322476/step, 2.25339 hours remaining, 234.000000 MB of memory in use. ENERGY: 2484400 3937.5858 20453.0710 14471.9223 229.6759 -203360.9839 2673.1966 0.0000 0.0000 52099.2335 -109496.2989 299.4150 -161595.5324 -109128.8193 299.5044 204.2912 229.7880 762878.7570 -9.5781 -9.4513 PRESSURE: 2484600 316.088 -85.9371 44.1706 -85.9369 218.906 -40.4584 44.1704 -40.4591 232.592 GPRESSURE: 2484600 391.484 15.9554 42.2404 -54.1052 198.784 23.4089 0.209149 -146.458 266.061 PRESSAVG: 2484600 28.615 -46.0751 20.1916 -46.075 -38.8347 -21.7042 20.1916 -21.7042 8.41048 GPRESSAVG: 2484600 27.9657 -44.0185 18.3099 -46.9015 -37.4388 -22.5528 20.2128 -23.2277 7.86774 TIMING: 2484600 CPU: 7928.21, 0.00316947/step Wall: 7928.21, 0.00316947/step, 2.21458 hours remaining, 234.140625 MB of memory in use. ENERGY: 2484600 4013.3115 20585.5029 14498.8134 242.7080 -203717.4947 2938.6103 0.0000 0.0000 51976.7693 -109461.7792 298.7112 -161438.5486 -109100.1241 299.4815 255.8623 285.4428 760919.2943 -0.6031 -0.5351 PRESSURE: 2484800 -288.473 69.9287 -101.71 69.9274 107.66 -67.1089 -101.71 -67.109 137.626 GPRESSURE: 2484800 -153.806 3.75348 -31.3544 -37.4946 133.718 3.55602 -290.221 -147.933 70.9652 PRESSAVG: 2484800 30.697 -44.5129 -21.6825 -44.513 -7.83501 -92.9273 -21.6825 -92.9273 7.92046 GPRESSAVG: 2484800 30.5535 -44.3205 -18.5064 -45.3607 -8.4364 -91.9329 -23.3362 -92.413 8.80057 TIMING: 2484800 CPU: 7928.85, 0.00315681/step Wall: 7928.85, 0.00315681/step, 2.20556 hours remaining, 234.140625 MB of memory in use. ENERGY: 2484800 3988.1619 20377.1023 14494.1023 261.0587 -203319.5011 2575.9343 0.0000 0.0000 52186.1346 -109437.0070 299.9144 -161623.1417 -109071.9762 299.0099 -14.3957 16.9592 763006.4688 10.2608 10.3059 PRESSURE: 2485000 -96.1773 22.6731 -0.213606 22.6739 -281.331 -97.7994 -0.213542 -97.7994 -38.6275 GPRESSURE: 2485000 -71.6493 -19.216 -51.2342 16.1055 -229.625 -221.206 28.6962 63.6762 -20.3784 PRESSAVG: 2485000 -22.2516 2.28314 12.1631 2.28322 -8.48844 -33.7962 12.163 -33.7962 -15.8945 GPRESSAVG: 2485000 -20.7169 1.29527 11.8994 3.59224 -9.58231 -33.6398 11.8423 -32.1277 -16.8924 TIMING: 2485000 CPU: 7929.48, 0.00315995/step Wall: 7929.48, 0.00315995/step, 2.20758 hours remaining, 234.140625 MB of memory in use. ENERGY: 2485000 3937.4652 20379.6597 14498.7676 244.6672 -203242.7472 2566.5565 0.0000 0.0000 51974.6206 -109641.0103 298.6989 -161615.6310 -109269.7283 299.0241 -138.7121 -107.2174 761857.3771 -15.5449 -15.7306 PRESSURE: 2485200 189.689 13.9427 2.45913 13.9425 51.0209 61.0521 2.4596 61.0518 -534.215 GPRESSURE: 2485200 164.115 97.9598 4.96369 -66.8554 151.282 143.907 20.1625 56.8722 -537.496 PRESSAVG: 2485200 -11.7479 -21.3089 29.8348 -21.3088 17.5175 -17.784 29.8348 -17.784 27.4368 GPRESSAVG: 2485200 -12.0858 -20.0487 30.0631 -21.0822 17.4806 -18.6824 31.7019 -18.6038 28.2152 TIMING: 2485200 CPU: 7930.11, 0.00313718/step Wall: 7930.11, 0.00313718/step, 2.19149 hours remaining, 234.140625 MB of memory in use. ENERGY: 2485200 3977.7156 20502.3293 14592.7301 248.0867 -203177.9513 2455.8641 0.0000 0.0000 51934.2782 -109466.9473 298.4670 -161401.2255 -109111.7288 298.8438 -97.8353 -74.0331 762613.2913 11.0688 11.2034 PRESSURE: 2485400 -11.5857 40.3137 5.92938 40.3148 -223.885 312.598 5.92997 312.598 9.78224 GPRESSURE: 2485400 -28.3709 36.2091 8.92159 -24.392 -152.996 323.826 38.6417 289.178 50.6835 PRESSAVG: 2485400 3.40216 -61.7027 59.5075 -61.7028 39.7532 -3.76604 59.5074 -3.76613 7.90953 GPRESSAVG: 2485400 2.76114 -62.5667 59.6756 -63.8898 40.5874 -3.43435 56.4417 -5.07577 7.73337 TIMING: 2485400 CPU: 7930.74, 0.00315249/step Wall: 7930.74, 0.00315249/step, 2.20201 hours remaining, 234.140625 MB of memory in use. ENERGY: 2485400 3968.9066 20474.7742 14530.9801 255.3762 -203074.0252 2404.1717 0.0000 0.0000 52203.0996 -109236.7168 300.0119 -161439.8165 -108873.0386 299.4949 -75.2293 -43.5612 761675.0798 17.0216 17.0273 PRESSURE: 2485600 -164.095 -177.174 -151.515 -177.173 69.0534 314.107 -151.516 314.106 -121.401 GPRESSURE: 2485600 -136.884 -186.376 -126.632 -125.807 101.163 284.27 -177.62 226.95 -100.093 PRESSAVG: 2485600 -4.82978 -46.234 -3.2966 -46.234 61.6906 21.1761 -3.29654 21.1761 -27.0692 GPRESSAVG: 2485600 -4.42961 -46.4486 -4.69593 -44.0267 60.5837 22.5079 -0.428041 20.4022 -26.6276 TIMING: 2485600 CPU: 7931.36, 0.0031383/step Wall: 7931.36, 0.0031383/step, 2.19193 hours remaining, 234.140625 MB of memory in use. ENERGY: 2485600 3984.7156 20465.2764 14457.4871 261.8592 -203303.7983 2819.2354 0.0000 0.0000 52095.6571 -109219.5675 299.3945 -161315.2246 -108862.4610 299.0972 -72.1474 -45.2715 762809.0442 9.9305 9.8422 PRESSURE: 2485800 -141.344 -94.6164 54.1114 -94.6168 -567.66 -53.4443 54.1108 -53.4449 -69.8622 GPRESSURE: 2485800 -41.2533 -64.6296 21.4103 -144.392 -527.997 -27.0779 119.094 25.4531 -120.765 PRESSAVG: 2485800 57.7744 -43.4152 27.5562 -43.4152 -56.5717 42.9631 27.5562 42.963 13.3533 GPRESSAVG: 2485800 58.422 -45.0701 27.2696 -43.6916 -55.4256 41.1037 26.7051 44.8445 10.7625 TIMING: 2485800 CPU: 7932, 0.00317904/step Wall: 7932, 0.00317904/step, 2.22021 hours remaining, 234.140625 MB of memory in use. ENERGY: 2485800 4024.0174 20662.0470 14531.0742 246.0322 -202597.4296 2155.0391 0.0000 0.0000 52036.1729 -108943.0467 299.0526 -160979.2196 -108588.9187 299.8707 -259.6219 -230.0051 764914.1666 4.8520 4.5863 PRESSURE: 2486000 62.2167 84.053 4.21472 84.0526 26.9816 -182.99 4.21614 -182.989 214.775 GPRESSURE: 2486000 -28.5131 -9.05627 16.633 130.854 151.476 -214.881 83.4698 -128.406 259.832 PRESSAVG: 2486000 0.908734 -22.8719 -11.6759 -22.872 -3.93623 37.3481 -11.6759 37.348 -16.4905 GPRESSAVG: 2486000 -0.986584 -20.5923 -11.3205 -23.4568 -4.07912 37.0541 -11.3034 36.7735 -14.4071 TIMING: 2486000 CPU: 7932.63, 0.00314633/step Wall: 7932.63, 0.00314633/step, 2.19719 hours remaining, 234.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2486000 4040.2503 20435.2750 14527.7152 248.5841 -203169.7498 2657.4403 0.0000 0.0000 52046.1188 -109214.3661 299.1098 -161260.4849 -108850.4867 299.3712 101.3245 127.5982 761866.7620 -6.5060 -6.4909 PRESSURE: 2486200 5.37266 -268.223 116.337 -268.222 306.95 168.364 116.338 168.364 -8.5129 GPRESSURE: 2486200 130.548 -74.1679 38.4887 -212.38 323.968 132.103 186.732 107.267 -45.4388 PRESSAVG: 2486200 35.5654 -55.8808 -20.4417 -55.8808 -16.8946 16.7723 -20.4418 16.7724 10.4931 GPRESSAVG: 2486200 35.9236 -58.1854 -21.8361 -55.7262 -16.5901 17.1333 -19.6129 16.6532 9.93355 TIMING: 2486200 CPU: 7933.26, 0.00315519/step Wall: 7933.26, 0.00315519/step, 2.2032 hours remaining, 234.140625 MB of memory in use. ENERGY: 2486200 3981.6951 20527.1651 14575.1310 248.8408 -203369.0200 2652.9284 0.0000 0.0000 52075.7181 -109307.5414 299.2799 -161383.2596 -108945.5638 299.6865 101.2699 136.3591 761379.3100 9.7213 9.7557 PRESSURE: 2486400 407.853 38.3076 -82.2792 38.3079 -123.594 135.225 -82.2789 135.226 163.589 GPRESSURE: 2486400 459.43 -41.3124 -189.676 -70.5344 -120.283 73.2163 -96.5693 85.9744 185.442 PRESSAVG: 2486400 16.0997 -37.762 -1.83497 -37.762 4.19258 -10.2648 -1.83498 -10.2648 -11.7595 GPRESSAVG: 2486400 15.8325 -34.9697 -0.746972 -39.9319 3.73066 -10.3038 -4.26165 -9.79329 -11.572 TIMING: 2486400 CPU: 7933.89, 0.00313472/step Wall: 7933.89, 0.00313472/step, 2.18873 hours remaining, 234.140625 MB of memory in use. ENERGY: 2486400 4015.1435 20454.1554 14487.7835 235.9738 -203144.2074 2625.6272 0.0000 0.0000 51953.1954 -109372.3286 298.5757 -161325.5240 -109002.1002 299.0951 149.2827 174.8634 763344.0592 2.8443 2.6637 PRESSURE: 2486600 5.74888 64.7083 -179.886 64.7088 -134.394 -45.9465 -179.886 -45.9455 -141.266 GPRESSURE: 2486600 26.5735 67.1176 -72.5518 63.6 -89.7774 -85.7671 -80.5391 -28.8519 -119.036 PRESSAVG: 2486600 11.7038 -75.7146 -59.916 -75.7147 22.2753 -43.1209 -59.916 -43.1209 19.2207 GPRESSAVG: 2486600 12.0579 -77.9042 -58.9142 -74.6844 22.1367 -42.8953 -57.6481 -43.1182 18.4173 TIMING: 2486600 CPU: 7934.51, 0.00313014/step Wall: 7934.51, 0.00313014/step, 2.18536 hours remaining, 234.140625 MB of memory in use. ENERGY: 2486600 4009.4698 20375.3402 14513.6517 246.7287 -202739.9997 2347.7312 0.0000 0.0000 51835.6606 -109411.4175 297.9003 -161247.0781 -109044.2134 299.0419 -89.9704 -60.7466 763152.7511 17.7333 17.5373 PRESSURE: 2486800 -159.385 -47.922 17.964 -47.9218 -108.808 111.247 17.9636 111.247 174.842 GPRESSURE: 2486800 -108.725 -43.6353 37.2401 35.601 -48.1312 185.841 -107.439 74.8338 134.638 PRESSAVG: 2486800 -31.8625 -6.04391 13.6531 -6.04394 5.31073 -30.1652 13.6531 -30.1652 -3.4153 GPRESSAVG: 2486800 -32.5518 -9.06554 13.3536 -4.17261 4.8758 -30.1848 11.1268 -30.1506 -2.78428 TIMING: 2486800 CPU: 7935.14, 0.00313336/step Wall: 7935.14, 0.00313336/step, 2.18743 hours remaining, 234.140625 MB of memory in use. ENERGY: 2486800 3944.4380 20531.3377 14455.6368 227.3197 -203228.8553 2479.3324 0.0000 0.0000 52108.6345 -109482.1562 299.4690 -161590.7907 -109119.4181 298.3818 -31.1168 -7.4060 761552.7968 -9.9890 -10.1534 PRESSURE: 2487000 135.628 134.415 -128.945 134.415 28.9701 -48.9343 -128.945 -48.9348 -147.693 GPRESSURE: 2487000 181.677 22.0758 -78.6061 73.2425 10.5398 -90.7416 -163.486 -36.1022 -113.001 PRESSAVG: 2487000 42.4541 -93.0319 20.6094 -93.0319 -23.6064 -23.5968 20.6094 -23.5967 8.03876 GPRESSAVG: 2487000 43.5731 -88.6302 19.0444 -94.6345 -24.0626 -23.6408 22.2955 -23.4592 7.62733 TIMING: 2487000 CPU: 7935.77, 0.00313948/step Wall: 7935.77, 0.00313948/step, 2.19153 hours remaining, 234.140625 MB of memory in use. ENERGY: 2487000 4099.2236 20501.1252 14412.1350 243.0851 -203280.7303 2490.8998 0.0000 0.0000 52129.0395 -109405.2221 299.5863 -161534.2616 -109043.1880 299.0779 5.6350 26.4050 760004.1536 8.9621 9.0459 PRESSURE: 2487200 -114.102 -99.8004 330.719 -99.8002 5.33157 3.68965 330.718 3.69037 51.6836 GPRESSURE: 2487200 -98.4911 -58.4961 232.796 -85.3949 53.4255 1.27611 201.009 -176.052 61.4894 PRESSAVG: 2487200 68.2655 -58.9945 -27.3459 -58.9945 -24.8126 -53.2819 -27.346 -53.2819 9.79018 GPRESSAVG: 2487200 68.6264 -59.8934 -27.1377 -58.4058 -24.2657 -53.0629 -27.5028 -55.3381 9.03077 TIMING: 2487200 CPU: 7936.4, 0.00316427/step Wall: 7936.4, 0.00316427/step, 2.20866 hours remaining, 234.140625 MB of memory in use. ENERGY: 2487200 3991.0738 20558.0912 14457.9300 249.6058 -203107.7839 2534.9818 0.0000 0.0000 52062.7488 -109253.3525 299.2053 -161316.1013 -108895.8181 299.4047 -19.0290 5.4746 760866.7369 17.7477 17.7972 PRESSURE: 2487400 -196.816 53.2515 -108.739 53.2511 21.2405 -103.611 -108.74 -103.611 380.707 GPRESSURE: 2487400 -192.474 43.3346 -114.867 4.56407 129.682 -109.99 17.328 -85.0105 347.65 PRESSAVG: 2487400 -19.3866 -54.5409 -4.36064 -54.5409 14.4065 -29.2229 -4.36058 -29.2228 7.95259 GPRESSAVG: 2487400 -20.4478 -52.9773 -4.94116 -54.7318 14.5095 -29.5154 -3.18941 -28.5071 8.7405 TIMING: 2487400 CPU: 7937.03, 0.00315696/step Wall: 7937.03, 0.00315696/step, 2.20338 hours remaining, 234.140625 MB of memory in use. ENERGY: 2487400 3994.3001 20514.3758 14465.6669 249.1570 -202803.1760 2399.3425 0.0000 0.0000 52200.7460 -108979.5878 299.9984 -161180.3338 -108624.3944 299.9200 68.3769 94.9527 760047.4036 0.9908 0.9341 PRESSURE: 2487600 -37.8517 159.984 -88.8728 159.985 -85.6811 -71.4252 -88.8722 -71.4253 -36.0058 GPRESSURE: 2487600 6.19207 172.136 -104.278 76.4641 -68.3271 -104.501 37.7563 50.8742 -15.7763 PRESSAVG: 2487600 -13.2716 -32.6042 -11.9234 -32.6043 31.4407 -12.0994 -11.9233 -12.0994 9.27788 GPRESSAVG: 2487600 -12.7431 -32.5001 -11.6195 -34.4471 31.6885 -12.46 -11.2348 -11.0062 8.33011 TIMING: 2487600 CPU: 7937.66, 0.00314406/step Wall: 7937.66, 0.00314406/step, 2.19421 hours remaining, 234.140625 MB of memory in use. ENERGY: 2487600 3956.8485 20538.5532 14456.9641 239.1156 -202673.6119 2117.2537 0.0000 0.0000 52115.0872 -109249.7896 299.5061 -161364.8768 -108884.6159 299.8802 -53.1795 -25.9704 760677.6735 9.1490 9.0918 PRESSURE: 2487800 -197.671 -38.3352 12.1438 -38.3348 -140.641 96.6651 12.1443 96.6649 -233.011 GPRESSURE: 2487800 -184.282 -91.6084 36.1196 1.76462 -141.546 -32.022 -62.0267 135.077 -147.699 PRESSAVG: 2487800 2.22273 -0.0312297 19.5391 -0.0312322 36.6094 -4.36754 19.5391 -4.36753 2.95947 GPRESSAVG: 2487800 0.219151 -0.650314 21.9678 2.23856 36.5075 -4.87847 15.0099 -4.21096 5.14934 TIMING: 2487800 CPU: 7938.3, 0.00317597/step Wall: 7938.3, 0.00317597/step, 2.2163 hours remaining, 234.140625 MB of memory in use. ENERGY: 2487800 3974.5713 20690.8005 14465.2707 250.9292 -203419.0074 2509.2603 0.0000 0.0000 52147.6386 -109380.5369 299.6932 -161528.1754 -109020.7466 299.6595 -190.4411 -157.8423 759926.5247 13.9305 13.9587 PRESSURE: 2488000 -368.703 113.056 -56.624 113.056 -454.812 107.924 -56.6246 107.924 0.237024 GPRESSURE: 2488000 -399.517 -25.0362 35.3764 129.642 -363.033 100.485 -85.8082 111.753 15.5655 PRESSAVG: 2488000 -8.08506 -61.562 45.1745 -61.5621 -6.09952 -37.2564 45.1746 -37.2563 36.578 GPRESSAVG: 2488000 -7.04744 -62.6755 44.0645 -62.7113 -5.62067 -36.4951 46.8322 -39.2801 35.8462 TIMING: 2488000 CPU: 7938.93, 0.00316313/step Wall: 7938.93, 0.00316313/step, 2.20716 hours remaining, 234.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2488000 3975.0039 20599.5147 14582.7111 244.4545 -203077.2896 2365.8448 0.0000 0.0000 51921.4810 -109388.2796 298.3935 -161309.7607 -109029.8357 299.6673 -274.4261 -248.9947 759934.1904 7.4645 7.7260 PRESSURE: 2488200 60.5185 117.15 -160.279 117.15 -320.006 -60.2292 -160.279 -60.2295 74.9943 GPRESSURE: 2488200 9.67747 52.9763 -105.801 128.846 -230.129 -64.3594 -72.9555 -127.649 112.739 PRESSAVG: 2488200 2.77528 -33.2776 -9.28356 -33.2777 22.2174 -105.587 -9.28357 -105.587 23.0959 GPRESSAVG: 2488200 3.48676 -32.407 -10.2311 -32.3714 21.149 -103.386 -8.7914 -104.042 23.3904 TIMING: 2488200 CPU: 7939.56, 0.00316403/step Wall: 7939.56, 0.00316403/step, 2.20761 hours remaining, 234.140625 MB of memory in use. ENERGY: 2488200 4007.8233 20627.1874 14495.0359 254.3727 -203245.4803 2509.0792 0.0000 0.0000 51938.5119 -109413.4699 298.4913 -161351.9818 -109051.9725 299.6888 -61.4978 -35.9041 760547.0097 16.0295 16.0087 LDB: ============= START OF LOAD BALANCING ============== 7951.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7951.98 LDB: =============== DONE WITH MIGRATION ================ 7951.98 LDB: ============= START OF LOAD BALANCING ============== 7952.3 LDB: Largest compute 7030 load 0.034316 is 17.5% of average load 0.195565 LDB: Average compute 0.004370 is 2.2% of average load 0.195565 LDB: TIME 7952.3 LOAD: AVG 0.195565 MAX 0.216859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.969 MB LDB: TIME 7952.3 LOAD: AVG 0.195565 MAX 0.216859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: TIME 7952.3 LOAD: AVG 0.195565 MAX 0.216859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: ============== END OF LOAD BALANCING =============== 7952.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7952.31 PRESSURE: 2488400 118.72 141.387 276.254 141.387 -45.2092 47.9289 276.254 47.9293 173.228 GPRESSURE: 2488400 192.648 92.4419 215.42 80.6831 -81.0206 47.2566 331.968 214.517 221.677 PRESSAVG: 2488400 -0.6146 32.9798 24.5437 32.9798 -13.5085 32.3536 24.5437 32.3537 -9.85869 GPRESSAVG: 2488400 -1.96618 31.1771 24.1272 32.5985 -13.1544 31.2193 25.626 32.511 -8.85172 TIMING: 2488400 CPU: 7940.2, 0.00320773/step Wall: 7940.2, 0.00320773/step, 2.23792 hours remaining, 233.105469 MB of memory in use. ENERGY: 2488400 3958.0513 20442.6227 14509.9445 231.7309 -203390.5094 2693.4926 0.0000 0.0000 52241.3490 -109313.3184 300.2318 -161554.6674 -108942.7694 299.5197 82.2462 111.1015 759043.5384 -7.9939 -7.9908 PRESSURE: 2488600 -13.7436 29.3517 38.1541 29.3513 520.019 -27.1453 38.1548 -27.1447 -58.5696 GPRESSURE: 2488600 89.8533 -34.9936 -30.2888 -50.3564 529.676 31.3673 103.806 5.7247 -90.9291 PRESSAVG: 2488600 -12.2548 49.3286 -30.2447 49.3286 -12.4796 -2.36387 -30.2447 -2.36385 11.7593 GPRESSAVG: 2488600 -11.4603 49.9741 -28.172 49.1207 -11.5998 -2.58168 -35.1598 -3.32955 9.86466 TIMING: 2488600 CPU: 7940.83, 0.00314313/step Wall: 7940.83, 0.00314312/step, 2.19268 hours remaining, 233.105469 MB of memory in use. ENERGY: 2488600 3918.5311 20483.1010 14509.8081 255.3519 -203198.2629 2661.1240 0.0000 0.0000 52014.1031 -109356.2436 298.9258 -161370.3468 -109002.3742 298.7864 149.2353 176.2000 761308.1901 -4.3250 -4.3985 PRESSURE: 2488800 102.558 -69.6704 -154.395 -69.6703 62.4818 -22.5718 -154.395 -22.5712 -21.8127 GPRESSURE: 2488800 134.725 -134.156 -62.2891 -155.763 100.734 -92.1292 -58.9539 -212.933 1.17436 PRESSAVG: 2488800 -43.283 -50.846 5.95125 -50.846 26.1511 0.427106 5.95125 0.427115 -5.47383 GPRESSAVG: 2488800 -44.4608 -52.1189 6.07457 -49.9465 26.2423 -1.37521 7.74379 -0.0211073 -4.21721 TIMING: 2488800 CPU: 7941.46, 0.00313826/step Wall: 7941.46, 0.00313827/step, 2.18911 hours remaining, 233.359375 MB of memory in use. ENERGY: 2488800 3979.4882 20453.3660 14356.8825 261.5770 -203239.5974 2662.8154 0.0000 0.0000 52122.1085 -109403.3599 299.5465 -161525.4683 -109043.6675 299.7319 47.7423 78.8778 759825.9591 -7.5353 -7.4786 PRESSURE: 2489000 -115.14 32.773 108.456 32.7732 -403.608 -17.2687 108.455 -17.2672 128.148 GPRESSURE: 2489000 -124.829 183.488 20.5506 121.198 -314.07 43.8007 188.6 -85.561 116.887 PRESSAVG: 2489000 20.813 -1.89934 -10.8519 -1.89937 -8.21741 -5.4963 -10.8519 -5.49622 -11.4781 GPRESSAVG: 2489000 22.3012 1.14917 -12.7381 -1.11472 -8.75514 -2.06306 -8.1557 -4.7891 -12.7546 TIMING: 2489000 CPU: 7942.09, 0.00314893/step Wall: 7942.09, 0.00314893/step, 2.19638 hours remaining, 233.558594 MB of memory in use. ENERGY: 2489000 4033.6278 20549.2704 14476.7379 252.9883 -203280.8366 2639.3812 0.0000 0.0000 52016.7497 -109312.0813 298.9410 -161328.8310 -108953.5590 299.7531 -130.2000 -107.3372 762370.2090 0.3725 0.2638 PRESSURE: 2489200 101.248 -164.922 3.6837 -164.923 155.004 -88.0679 3.68365 -88.0675 -197.613 GPRESSURE: 2489200 113.721 -10.1062 -28.4664 -185.884 125.602 -136.848 84.6777 -106.492 -107.821 PRESSAVG: 2489200 2.17476 -27.0344 15.4046 -27.0344 4.70027 -26.2696 15.4045 -26.2695 9.48869 GPRESSAVG: 2489200 1.84063 -28.7602 15.5983 -28.0431 4.4268 -28.1086 11.3259 -25.9261 10.0358 TIMING: 2489200 CPU: 7942.72, 0.0031518/step Wall: 7942.72, 0.0031518/step, 2.19821 hours remaining, 233.558594 MB of memory in use. ENERGY: 2489200 4031.6706 20421.5156 14512.9878 262.2273 -203280.0384 2611.4359 0.0000 0.0000 52053.3802 -109386.8210 299.1515 -161440.2012 -109027.2780 299.5340 19.5461 43.8340 760897.6407 5.4546 5.4344 PRESSURE: 2489400 280.203 -61.2562 -155.628 -61.2572 174.612 159.282 -155.627 159.281 -10.6003 GPRESSURE: 2489400 218.942 -114.792 -187.74 -78.2083 213.698 227.852 -177.304 216.013 86.3815 PRESSAVG: 2489400 5.12951 -11.3383 -28.7482 -11.3383 47.1255 18.4287 -28.7481 18.4287 9.30869 GPRESSAVG: 2489400 4.18513 -10.3166 -29.4227 -11.5104 47.8757 18.435 -24.5757 19.8201 9.79924 TIMING: 2489400 CPU: 7943.35, 0.00314012/step Wall: 7943.35, 0.00314012/step, 2.18988 hours remaining, 233.558594 MB of memory in use. ENERGY: 2489400 3927.2851 20666.6113 14516.1321 255.3389 -203466.4735 2657.7912 0.0000 0.0000 51948.4749 -109494.8401 298.5486 -161443.3150 -109135.7713 299.4946 148.0716 173.0071 760944.7933 20.5212 20.6200 PRESSURE: 2489600 -41.3832 84.0754 66.6267 84.0762 5.77335 -50.6795 66.6265 -50.6793 -337.765 GPRESSURE: 2489600 -60.8127 101.076 69.6593 83.8398 54.9409 -111.445 61.4333 -157.788 -266.254 PRESSAVG: 2489600 -48.4267 -37.74 -45.0575 -37.74 26.1087 -16.4103 -45.0576 -16.4102 11.5148 GPRESSAVG: 2489600 -47.02 -36.4534 -45.2712 -37.7137 25.886 -16.3708 -48.896 -17.587 10.38 TIMING: 2489600 CPU: 7943.97, 0.00312731/step Wall: 7943.97, 0.00312731/step, 2.18078 hours remaining, 233.558594 MB of memory in use. ENERGY: 2489600 4004.8646 20596.2538 14438.0545 244.0220 -203498.2520 2649.6285 0.0000 0.0000 51918.6235 -109646.8051 298.3770 -161565.4287 -109299.3252 298.6369 -124.4581 -90.7087 760316.2624 -3.6011 -3.5847 PRESSURE: 2489800 131.977 -20.2056 77.7638 -20.2056 -258.182 -203.451 77.7632 -203.45 12.5723 GPRESSURE: 2489800 177.816 -28.1358 142.793 4.52719 -235.672 -188.163 57.0176 -261.25 21.5845 PRESSAVG: 2489800 3.55246 -30.6669 23.5116 -30.6668 -14.9642 47.7862 23.5117 47.7862 -11.3857 GPRESSAVG: 2489800 3.46452 -29.6949 23.0881 -31.4847 -14.9658 48.7555 26.6661 46.8904 -11.3341 TIMING: 2489800 CPU: 7944.6, 0.00313838/step Wall: 7944.6, 0.00313838/step, 2.18832 hours remaining, 233.558594 MB of memory in use. ENERGY: 2489800 4002.2421 20524.7349 14494.9930 235.5731 -203122.8476 2449.1304 0.0000 0.0000 52149.8072 -109266.3668 299.7057 -161416.1741 -108902.7134 299.5498 -37.8778 -12.0904 762104.4674 -7.5991 -7.6118 PRESSURE: 2490000 198.908 78.0426 270.415 78.0424 -181.482 200.16 270.415 200.161 -806.955 GPRESSURE: 2490000 144.283 -21.5219 296.002 38.6299 -136.959 138.91 217.433 247.927 -748.962 PRESSAVG: 2490000 -18.8497 -15.43 47.3117 -15.43 -6.5598 69.5251 47.3117 69.525 8.45194 GPRESSAVG: 2490000 -19.2844 -17.9048 47.3336 -15.9154 -6.27464 68.0118 45.4395 70.9917 8.19963 TIMING: 2490000 CPU: 7945.23, 0.00314431/step Wall: 7945.23, 0.00314431/step, 2.19228 hours remaining, 233.558594 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: 2490000 3892.9030 20423.0845 14448.8843 237.8813 -202894.0981 2367.7043 0.0000 0.0000 52278.1966 -109245.4440 300.4435 -161523.6406 -108874.1498 299.4158 -263.1765 -247.2128 763289.3839 -5.6525 -5.7865 PRESSURE: 2490200 223.087 111.941 -166.754 111.941 252.867 -36.1422 -166.754 -36.1432 226.252 GPRESSURE: 2490200 215.922 79.6209 -176.753 -37.0165 253.296 -118.276 -102.341 -33.7239 315.874 PRESSAVG: 2490200 23.8089 -18.6017 19.634 -18.6016 -12.9286 38.1962 19.634 38.1963 -14.4002 GPRESSAVG: 2490200 23.2259 -17.3959 19.8662 -18.7399 -12.2508 37.5473 18.3664 38.4588 -14.5999 TIMING: 2490200 CPU: 7945.86, 0.00314093/step Wall: 7945.86, 0.00314093/step, 2.18975 hours remaining, 233.558594 MB of memory in use. ENERGY: 2490200 4028.7922 20474.6638 14436.1135 248.0647 -203240.3787 2738.9403 0.0000 0.0000 52126.8686 -109186.9356 299.5738 -161313.8042 -108833.3423 299.2105 234.0689 261.6973 761438.8623 -1.1733 -1.2083 PRESSURE: 2490400 -122.006 -21.3739 96.7541 -21.3734 -121.023 218.373 96.7536 218.372 -55.4049 GPRESSURE: 2490400 -71.616 -31.095 83.9343 -69.0086 -104.538 297.204 39.5841 66.8105 -43.6123 PRESSAVG: 2490400 -73.3474 -67.2098 -54.5389 -67.2097 12.3838 17.3843 -54.5389 17.3844 -8.66214 GPRESSAVG: 2490400 -71.6786 -68.9087 -54.0433 -67.3754 11.6089 19.685 -53.4167 16.4713 -9.10052 TIMING: 2490400 CPU: 7946.48, 0.00313812/step Wall: 7946.48, 0.00313812/step, 2.18762 hours remaining, 233.558594 MB of memory in use. ENERGY: 2490400 4016.4433 20493.5192 14453.6746 224.7272 -202551.0092 2058.1376 0.0000 0.0000 52192.0288 -109112.4785 299.9483 -161304.5073 -108761.0441 299.4658 -99.4781 -73.2555 761002.1123 -23.2086 -23.0567 PRESSURE: 2490600 -28.6784 91.3816 -324.003 91.3828 -193.179 76.5049 -324.004 76.5047 -436.87 GPRESSURE: 2490600 -110.371 89.3426 -282.089 151.161 -185.161 68.7861 -277.738 -147.762 -276.897 PRESSAVG: 2490600 57.0251 -48.2389 -5.71069 -48.239 -40.186 -11.2047 -5.71074 -11.2046 -4.03647 GPRESSAVG: 2490600 54.6014 -48.5657 -5.84298 -48.3708 -39.8086 -11.5668 -4.02939 -13.2851 -2.34255 TIMING: 2490600 CPU: 7947.11, 0.00312794/step Wall: 7947.11, 0.00312794/step, 2.18035 hours remaining, 233.628906 MB of memory in use. ENERGY: 2490600 3986.2038 20577.8360 14504.0025 228.2590 -202814.3459 2308.5638 0.0000 0.0000 52159.1577 -109050.3231 299.7594 -161209.4808 -108689.7719 299.8067 -219.5758 -190.8098 761611.3657 4.2676 4.1501 PRESSURE: 2490800 298.178 -302.931 -3.20973 -302.931 -158.666 137.71 -3.20987 137.711 156.546 GPRESSURE: 2490800 256.572 -235.866 63.4353 -244.714 40.0978 255.981 -100.261 179.203 97.0106 PRESSAVG: 2490800 40.3787 -10.1628 -12.9074 -10.1627 17.0173 -13.3724 -12.9074 -13.3724 -25.7347 GPRESSAVG: 2490800 40.9289 -10.9928 -12.4455 -9.42188 17.6166 -14.743 -13.7619 -9.15679 -27.3571 TIMING: 2490800 CPU: 7947.73, 0.00311726/step Wall: 7947.73, 0.00311726/step, 2.17273 hours remaining, 233.628906 MB of memory in use. ENERGY: 2490800 4014.8858 20654.4291 14383.1370 242.7517 -202775.5523 2296.3725 0.0000 0.0000 52083.7035 -109100.2727 299.3258 -161183.9762 -108738.3739 300.2424 98.6860 131.2267 760259.7201 10.5537 10.3961 PRESSURE: 2491000 190.43 136.352 -163.058 136.353 372.858 -242.872 -163.056 -242.873 -18.826 GPRESSURE: 2491000 208.4 94.863 -234.784 131.773 393.569 -200.312 38.306 -158.995 11.0902 PRESSAVG: 2491000 24.312 -8.06569 56.7288 -8.06576 -3.61353 11.0592 56.7288 11.0592 3.42959 GPRESSAVG: 2491000 24.8037 -6.63296 56.3623 -9.38152 -4.74067 12.0622 54.628 10.6376 3.81129 TIMING: 2491000 CPU: 7948.36, 0.00312242/step Wall: 7948.36, 0.00312242/step, 2.17615 hours remaining, 233.628906 MB of memory in use. ENERGY: 2491000 3974.2068 20525.8197 14473.1471 264.3302 -202833.5761 2388.7892 0.0000 0.0000 51938.3431 -109268.9400 298.4904 -161207.2831 -108904.7706 299.6953 181.4874 204.3531 760645.7156 8.0427 7.9581 PRESSURE: 2491200 207.95 -219.375 -7.0734 -219.375 -121.496 117.756 -7.07414 117.755 -130.758 GPRESSURE: 2491200 316.215 -179.269 -68.1831 -198.141 -98.2686 125.848 -10.4343 95.2528 -168.317 PRESSAVG: 2491200 24.1274 51.1725 -8.77115 51.1725 -24.5276 14.3835 -8.77118 14.3834 2.35064 GPRESSAVG: 2491200 24.0967 50.6531 -9.29218 51.1454 -23.9763 15.5341 -6.24683 11.0517 2.12451 TIMING: 2491200 CPU: 7948.98, 0.00311422/step Wall: 7948.98, 0.00311422/step, 2.17027 hours remaining, 233.628906 MB of memory in use. ENERGY: 2491200 3908.8585 20631.1211 14514.6600 247.6328 -203422.8273 2748.8485 0.0000 0.0000 52246.7885 -109124.9178 300.2630 -161371.7064 -108759.8543 298.8422 -14.7680 16.5433 761171.3723 0.6501 0.7483 PRESSURE: 2491400 60.8557 24.6711 -25.2456 24.6721 274.032 -51.9912 -25.2461 -51.99 544.424 GPRESSURE: 2491400 11.6667 36.655 -17.2404 89.0351 327.5 -51.9072 -86.7787 -51.0397 630.225 PRESSAVG: 2491400 18.5669 1.50229 -37.4425 1.50223 -45.7623 -22.7421 -37.4425 -22.7421 12.9869 GPRESSAVG: 2491400 18.3406 0.538056 -36.5397 3.64406 -46.1113 -23.9241 -38.6848 -20.3873 13.9845 TIMING: 2491400 CPU: 7949.6, 0.00310758/step Wall: 7949.6, 0.00310758/step, 2.16547 hours remaining, 233.628906 MB of memory in use. ENERGY: 2491400 4041.7295 20559.9730 14502.7531 235.6141 -203673.4748 2772.3775 0.0000 0.0000 52028.7975 -109532.2301 299.0102 -161561.0276 -109181.4647 299.4173 293.1039 323.1307 759603.7275 -4.7362 -4.5954 PRESSURE: 2491600 359.298 185.353 275.887 185.355 -174.692 18.5814 275.886 18.5816 212.128 GPRESSURE: 2491600 400.043 153.751 274.297 176.197 -99.8054 39.98 229.932 -68.7206 180.894 PRESSAVG: 2491600 -19.5174 25.8947 -62.0175 25.8948 3.87138 -5.61144 -62.0175 -5.61136 11.1926 GPRESSAVG: 2491600 -20.6276 27.6498 -63.1312 25.1354 5.4522 -4.30392 -63.5257 -7.93515 10.2461 TIMING: 2491600 CPU: 7950.23, 0.00312663/step Wall: 7950.23, 0.00312663/step, 2.17856 hours remaining, 233.628906 MB of memory in use. ENERGY: 2491600 3984.3423 20601.8039 14472.0185 258.0538 -203326.0147 2802.2956 0.0000 0.0000 51969.0436 -109238.4569 298.6668 -161207.5005 -108875.2041 299.9628 132.2445 160.3773 761432.3717 -1.4845 -1.6431 PRESSURE: 2491800 -85.0976 192.355 25.0707 192.356 -309.121 -134.325 25.0706 -134.325 -419.366 GPRESSURE: 2491800 -120.337 89.8816 -69.0711 130.449 -235.84 -185.307 101.977 -187.755 -374.416 PRESSAVG: 2491800 -58.2211 -44.821 -2.18204 -44.821 40.8323 -15.6199 -2.18205 -15.6197 -22.5594 GPRESSAVG: 2491800 -58.1466 -45.3243 -0.553791 -44.5324 39.8823 -17.364 -0.538565 -12.6232 -22.1223 TIMING: 2491800 CPU: 7950.85, 0.0031227/step Wall: 7950.85, 0.0031227/step, 2.17565 hours remaining, 233.628906 MB of memory in use. ENERGY: 2491800 4046.6775 20562.5441 14523.2671 244.1021 -203064.6437 2245.3388 0.0000 0.0000 52147.7894 -109294.9247 299.6941 -161442.7141 -108931.5436 299.6734 -271.1951 -243.5312 761928.5373 -13.3161 -13.4622 PRESSURE: 2492000 -91.6327 72.9626 -84.654 72.9635 -492.111 -127.726 -84.653 -127.726 -362.292 GPRESSURE: 2492000 -31.4584 7.59414 -112.229 4.98784 -464.654 -54.5985 -62.2435 -7.81106 -372.407 PRESSAVG: 2492000 -30.265 -19.9653 -35.352 -19.9653 -3.03594 0.235357 -35.3519 0.23535 -11.0966 GPRESSAVG: 2492000 -29.9661 -19.62 -35.6795 -21.988 -3.63339 0.438081 -36.5536 -0.872907 -11.2208 TIMING: 2492000 CPU: 7951.48, 0.00312435/step Wall: 7951.48, 0.00312435/step, 2.17663 hours remaining, 233.628906 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: 2492000 4034.3298 20753.4959 14485.3546 217.5392 -203194.3400 2363.8425 0.0000 0.0000 51988.5559 -109351.2221 298.7789 -161339.7780 -109002.1929 299.7861 -315.3453 -289.5065 760550.8886 -14.7992 -14.9401 PRESSURE: 2492200 93.8252 41.2242 -254.041 41.224 -490.908 59.8842 -254.04 59.8855 246.902 GPRESSURE: 2492200 81.5749 -51.005 -401.639 41.3249 -438.188 36.04 -224.459 50.8174 288.244 PRESSAVG: 2492200 11.0659 -43.3688 -59.9994 -43.3689 13.1118 22.9315 -59.9994 22.9315 4.1436 GPRESSAVG: 2492200 11.0416 -43.3362 -61.1774 -43.3632 12.9499 23.5873 -59.216 22.6935 4.18801 TIMING: 2492200 CPU: 7952.1, 0.00313199/step Wall: 7952.1, 0.00313199/step, 2.18178 hours remaining, 233.628906 MB of memory in use. ENERGY: 2492200 4002.6222 20610.2988 14466.2711 235.6205 -203192.8385 2475.0640 0.0000 0.0000 52043.4976 -109359.4643 299.0947 -161402.9619 -109000.2424 299.3916 -50.0603 -22.7896 760013.9140 9.4404 9.3932 LDB: ============= START OF LOAD BALANCING ============== 7964.52 LDB: ============== END OF LOAD BALANCING =============== 7964.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7964.52 LDB: ============= START OF LOAD BALANCING ============== 7964.84 LDB: Largest compute 7031 load 0.034006 is 17.4% of average load 0.195499 LDB: Average compute 0.004386 is 2.2% of average load 0.195499 LDB: TIME 7964.84 LOAD: AVG 0.195499 MAX 0.21743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.941 MB LDB: TIME 7964.84 LOAD: AVG 0.195499 MAX 0.21743 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.941 MB LDB: TIME 7964.84 LOAD: AVG 0.195499 MAX 0.21743 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.941 MB LDB: ============== END OF LOAD BALANCING =============== 7964.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7964.85 PRESSURE: 2492400 144.283 0.126929 92.7522 0.125834 -269.598 -218.988 92.7517 -218.987 24.6511 GPRESSURE: 2492400 225.549 25.7994 236.415 27.3251 -243.384 -234.049 -68.0898 -201.007 -5.37395 PRESSAVG: 2492400 51.3022 0.156345 21.6564 0.15634 0.460512 11.2708 21.6565 11.2707 -22.7805 GPRESSAVG: 2492400 49.0478 1.28766 21.8201 2.8938 1.25297 8.68598 19.8232 10.0133 -22.0687 TIMING: 2492400 CPU: 7952.74, 0.0031977/step Wall: 7952.74, 0.0031977/step, 2.22737 hours remaining, 234.699219 MB of memory in use. ENERGY: 2492400 3997.6502 20555.2128 14528.4201 243.9964 -202825.3399 2230.6086 0.0000 0.0000 51944.0603 -109325.3916 298.5232 -161269.4519 -108966.1262 299.6384 -33.5545 -7.7363 760525.4146 9.6607 9.4107 PRESSURE: 2492600 -524.037 -85.7011 343.801 -85.7016 -488.725 68.6317 343.8 68.6317 -423.302 GPRESSURE: 2492600 -497.507 -124.993 303.256 -50.9507 -460.587 55.0764 344.672 127.086 -387.912 PRESSAVG: 2492600 28.1383 -17.39 -18.8919 -17.39 -6.73232 -4.76378 -18.8919 -4.76375 -1.60615 GPRESSAVG: 2492600 29.8793 -17.3307 -19.1675 -19.6212 -8.05424 -2.78999 -17.0372 -6.15358 -1.62766 TIMING: 2492600 CPU: 7953.37, 0.00313068/step Wall: 7953.37, 0.00313068/step, 2.18052 hours remaining, 234.902344 MB of memory in use. ENERGY: 2492600 4045.1833 20621.1693 14488.3698 255.7014 -203020.5664 2325.5583 0.0000 0.0000 51802.7311 -109481.8531 297.7110 -161284.5842 -109120.4949 299.6670 -478.6879 -448.6684 761425.7811 6.5999 6.7325 PRESSURE: 2492800 -159.421 -114.171 93.4007 -114.172 -57.0459 -148.422 93.4003 -148.423 4.5619 GPRESSURE: 2492800 -2.01849 -100.573 -6.0637 0.0464558 -87.0166 -216.84 206.68 -34.1626 -41.0141 PRESSAVG: 2492800 43.2797 -52.7461 -44.9056 -52.7461 -61.4893 -0.3125 -44.9056 -0.312418 13.1927 GPRESSAVG: 2492800 43.8066 -53.6877 -43.865 -51.4027 -60.7982 -1.01797 -44.7482 1.77305 12.0461 TIMING: 2492800 CPU: 7954, 0.00313094/step Wall: 7954, 0.00313094/step, 2.18052 hours remaining, 234.902344 MB of memory in use. ENERGY: 2492800 3986.1465 20587.3303 14477.7362 245.6556 -203076.9401 2319.8922 0.0000 0.0000 51900.2789 -109559.9005 298.2716 -161460.1794 -109210.7673 299.2209 -70.6351 -43.3497 762215.7032 -1.6723 -1.6485 PRESSURE: 2493000 323.101 -118.12 -95.4781 -118.119 348.109 67.4796 -95.4788 67.4797 74.953 GPRESSURE: 2493000 334.428 -54.736 -87.2487 -135.381 319.156 30.3687 -18.9573 48.5497 150.766 PRESSAVG: 2493000 -5.49066 -44.3291 -17.7631 -44.3291 16.1397 -16.5785 -17.7631 -16.5785 -9.56218 GPRESSAVG: 2493000 -4.8257 -46.6529 -17.6542 -43.291 14.6913 -16.3461 -18.575 -18.5325 -9.06585 TIMING: 2493000 CPU: 7954.62, 0.00312558/step Wall: 7954.62, 0.00312558/step, 2.17662 hours remaining, 234.902344 MB of memory in use. ENERGY: 2493000 3982.1505 20513.3231 14481.0380 249.4950 -203585.9989 2651.7025 0.0000 0.0000 51928.6121 -109779.6777 298.4344 -161708.2898 -109413.5927 298.4676 248.7211 268.1165 760036.6716 0.3623 0.2666 PRESSURE: 2493200 -24.8262 91.29 98.3907 91.2898 -105.932 97.8327 98.3902 97.8338 187.71 GPRESSURE: 2493200 -57.9024 113.041 163.28 151.727 -73.2626 131.762 -127.111 110.818 255.983 PRESSAVG: 2493200 23.7996 -64.4309 15.8556 -64.4309 -20.4418 -2.26277 15.8556 -2.26274 -2.96032 GPRESSAVG: 2493200 23.4564 -61.0901 15.0182 -66.828 -19.6064 -2.19313 15.2633 -0.317536 -3.02856 TIMING: 2493200 CPU: 7955.25, 0.00312465/step Wall: 7955.25, 0.00312465/step, 2.1758 hours remaining, 234.902344 MB of memory in use. ENERGY: 2493200 3979.6069 20443.1088 14433.3944 262.5597 -203066.1645 2361.0562 0.0000 0.0000 51904.9209 -109681.5176 298.2983 -161586.4386 -109308.9817 298.6300 18.9839 41.6060 761112.3470 0.1325 0.2738 PRESSURE: 2493400 -189.398 -189.312 136.773 -189.312 85.3865 84.0847 136.773 84.0852 -185.714 GPRESSURE: 2493400 -147.473 -233.043 251.352 -120.553 139.679 105.52 -12.0541 -0.594766 -201.639 PRESSAVG: 2493400 44.688 -37.806 28.5524 -37.8061 -6.33545 13.479 28.5523 13.479 5.3594 GPRESSAVG: 2493400 42.952 -38.9766 30.1602 -36.2006 -4.49438 14.3907 28.3177 13.291 5.40054 TIMING: 2493400 CPU: 7955.87, 0.00311418/step Wall: 7955.87, 0.00311418/step, 2.16833 hours remaining, 234.902344 MB of memory in use. ENERGY: 2493400 3999.6467 20540.6255 14459.1346 239.3162 -203327.0000 2352.5655 0.0000 0.0000 52115.2599 -109620.4516 299.5071 -161735.7115 -109262.3302 298.4141 -96.5753 -69.8112 760655.0276 14.5707 14.6194 PRESSURE: 2493600 -195.936 -25.6557 -96.3334 -25.6562 118.622 -38.85 -96.3326 -38.8506 77.2495 GPRESSURE: 2493600 -19.5524 -88.7109 -21.6891 -16.2326 65.7762 -65.0708 -62.9524 -60.3199 61.637 PRESSAVG: 2493600 -5.94483 -44.6705 -3.18902 -44.6705 48.3041 -36.1817 -3.18904 -36.1816 -26.0262 GPRESSAVG: 2493600 -4.43343 -45.9228 -3.31402 -44.6682 47.2711 -36.9174 -3.29486 -35.3735 -26.4606 TIMING: 2493600 CPU: 7956.49, 0.0031079/step Wall: 7956.49, 0.0031079/step, 2.16379 hours remaining, 234.902344 MB of memory in use. ENERGY: 2493600 4067.4016 20525.9881 14464.3920 250.5366 -203529.7864 2773.0827 0.0000 0.0000 51984.3030 -109464.0823 298.7545 -161448.3853 -109099.4344 298.9604 -0.0216 35.9536 760961.1384 5.4444 5.4590 PRESSURE: 2493800 -75.3233 -110.976 217.112 -110.976 -98.0884 -57.3822 217.113 -57.3813 -158.129 GPRESSURE: 2493800 -7.31824 -116.889 259.87 -86.9122 -98.0294 -1.46269 276.521 -39.6923 -131.405 PRESSAVG: 2493800 -9.09276 1.69198 49.2043 1.69195 -5.55212 29.2018 49.2043 29.2019 5.39443 GPRESSAVG: 2493800 -9.1946 2.95179 47.4709 1.37176 -5.35449 27.6535 51.6416 29.3594 5.31457 TIMING: 2493800 CPU: 7957.11, 0.00312071/step Wall: 7957.11, 0.00312071/step, 2.17253 hours remaining, 234.902344 MB of memory in use. ENERGY: 2493800 3979.9080 20398.5798 14470.6936 223.5996 -203336.2999 2716.3368 0.0000 0.0000 52132.7209 -109414.4612 299.6075 -161547.1821 -109060.3017 299.1621 -110.5135 -78.9177 761598.0505 -3.0835 -3.0782 PRESSURE: 2494000 175.147 151.678 -33.4804 151.679 -11.2171 25.371 -33.4802 25.3702 -315.992 GPRESSURE: 2494000 207.905 102.232 -67.4341 105.989 36.4854 102.32 -49.2073 -20.1648 -295.26 PRESSAVG: 2494000 17.6974 -3.38477 24.7848 -3.38481 6.30856 51.7417 24.7848 51.7417 -1.40046 GPRESSAVG: 2494000 17.6094 -4.80708 23.8846 -3.5237 5.69075 53.993 22.6998 48.9045 -0.835062 TIMING: 2494000 CPU: 7957.74, 0.00312703/step Wall: 7957.74, 0.00312703/step, 2.17676 hours remaining, 234.902344 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: 2494000 3973.6420 20483.7493 14487.8866 267.6867 -203214.1768 2345.0420 0.0000 0.0000 52043.3523 -109612.8179 299.0939 -161656.1702 -109242.6863 298.9465 -50.6872 -16.9565 762481.5392 7.5352 7.4884 PRESSURE: 2494200 305.578 189.246 -74.9923 189.248 -159.128 -29.938 -74.9928 -29.9379 506.659 GPRESSURE: 2494200 389.271 193.854 -83.061 208.944 -151.151 -56.4347 -258.543 -1.05484 515.952 PRESSAVG: 2494200 -11.6857 -18.8452 1.26882 -18.8452 2.70983 15.2902 1.2688 15.2903 16.1259 GPRESSAVG: 2494200 -11.4267 -18.904 4.23975 -19.9541 1.54445 14.2285 2.30303 17.8094 17.007 TIMING: 2494200 CPU: 7958.36, 0.00311353/step Wall: 7958.36, 0.00311353/step, 2.16719 hours remaining, 234.902344 MB of memory in use. ENERGY: 2494200 3920.8800 20474.1065 14421.9549 248.1622 -202890.2811 2356.7812 0.0000 0.0000 51934.2522 -109534.1441 298.4669 -161468.3964 -109162.2636 299.0542 217.7032 251.3570 762398.2738 2.3833 2.3749 PRESSURE: 2494400 -432.658 31.9408 33.2543 31.9402 -164.601 1.74361 33.2546 1.74335 43.3458 GPRESSURE: 2494400 -340.609 -6.22292 78.613 54.2652 -190.609 26.45 -175.257 -148.146 77.2963 PRESSAVG: 2494400 31.7487 -45.0907 65.6879 -45.0906 -20.4096 -7.30481 65.688 -7.30491 -20.7046 GPRESSAVG: 2494400 31.4678 -44.7843 64.9314 -43.3989 -18.6371 -8.63245 64.9886 -9.15967 -21.8203 TIMING: 2494400 CPU: 7958.99, 0.00311761/step Wall: 7958.99, 0.00311761/step, 2.16986 hours remaining, 234.902344 MB of memory in use. ENERGY: 2494400 3965.7016 20499.4835 14431.1678 239.2325 -203120.5863 2444.8216 0.0000 0.0000 52282.3983 -109257.7810 300.4677 -161540.1793 -108892.3670 299.1966 -184.6377 -151.3072 761718.2260 -3.1218 -2.9966 PRESSURE: 2494600 168.835 -177.258 -212.581 -177.257 129.466 -22.1663 -212.581 -22.166 -135.107 GPRESSURE: 2494600 162.759 -179.373 -247.652 -207.763 142.432 -51.2595 -51.1459 -33.5949 -59.7437 PRESSAVG: 2494600 5.65147 -114.64 28.8809 -114.64 -23.4176 -46.4205 28.8809 -46.4204 -17.5637 GPRESSAVG: 2494600 4.93311 -114.179 28.0455 -115.386 -23.6489 -45.2412 30.4408 -46.0629 -16.6593 TIMING: 2494600 CPU: 7959.61, 0.00311093/step Wall: 7959.61, 0.00311093/step, 2.16503 hours remaining, 234.902344 MB of memory in use. ENERGY: 2494600 3918.0913 20465.4881 14450.8241 247.1124 -203530.3097 2707.2108 0.0000 0.0000 52352.9023 -109388.6806 300.8728 -161741.5830 -109019.9351 299.5235 54.3982 81.8157 759812.5776 -11.7766 -11.7917 PRESSURE: 2494800 -81.0316 -69.2462 131.964 -69.2458 -126.123 -177.726 131.964 -177.725 103.45 GPRESSURE: 2494800 -14.1999 -53.8065 197.778 -34.9351 -61.7987 -121.884 172.071 -156.183 65.8517 PRESSAVG: 2494800 63.4968 -97.7553 46.6853 -97.7553 -64.7957 -18.131 46.6852 -18.131 5.49903 GPRESSAVG: 2494800 65.5515 -99.3655 47.111 -96.7558 -64.7036 -18.901 45.978 -16.1139 4.19057 TIMING: 2494800 CPU: 7960.23, 0.00313116/step Wall: 7960.23, 0.00313116/step, 2.17894 hours remaining, 234.902344 MB of memory in use. ENERGY: 2494800 3958.4379 20499.7664 14483.2320 239.7859 -203209.7906 2387.6587 0.0000 0.0000 52353.8815 -109287.0282 300.8785 -161640.9097 -108917.7044 299.7932 -34.5681 -3.3823 760341.9057 1.4000 1.6795 PRESSURE: 2495000 -88.3351 -73.8431 -45.6817 -73.8432 -265.32 -157.844 -45.6808 -157.844 -134.017 GPRESSURE: 2495000 -25.0907 -29.4155 -139.403 -109.197 -173.231 -137.158 -28.2788 -206.775 -204.16 PRESSAVG: 2495000 68.9607 -48.927 23.0031 -48.9271 -38.4684 51.6362 23.0031 51.6361 14.0886 GPRESSAVG: 2495000 67.5587 -46.3239 23.4798 -49.3659 -37.1465 52.1508 22.7184 48.076 14.409 TIMING: 2495000 CPU: 7960.86, 0.00312172/step Wall: 7960.86, 0.00312172/step, 2.1722 hours remaining, 234.902344 MB of memory in use. ENERGY: 2495000 4000.0193 20700.8812 14436.3696 249.4960 -203310.2557 2403.6482 0.0000 0.0000 52094.6533 -109425.1880 299.3887 -161519.8414 -109068.6925 299.8446 -162.5571 -134.1604 760488.4336 14.8603 14.9404 PRESSURE: 2495200 -173.339 -45.723 276.477 -45.7236 121.791 -168.194 276.477 -168.194 253.691 GPRESSURE: 2495200 -88.5837 -103.002 303.073 6.80573 172.957 -188.13 174.234 -151.894 217.379 PRESSAVG: 2495200 24.6584 -39.5461 35.4205 -39.5461 -7.60618 31.7704 35.4206 31.7704 -1.22249 GPRESSAVG: 2495200 25.6042 -40.9656 35.4748 -39.0736 -9.83129 32.7134 35.1927 33.801 -0.767863 TIMING: 2495200 CPU: 7961.48, 0.00311624/step Wall: 7961.48, 0.00311624/step, 2.16821 hours remaining, 234.902344 MB of memory in use. ENERGY: 2495200 3968.5672 20504.7343 14527.8963 236.3522 -203345.7949 2792.5321 0.0000 0.0000 51954.7166 -109360.9961 298.5845 -161315.7127 -109002.9738 299.0678 67.3812 100.5840 760997.4941 5.2766 5.0017 PRESSURE: 2495400 239.255 -264.682 -118.374 -264.681 -144.985 30.2308 -118.374 30.2309 229.078 GPRESSURE: 2495400 295.075 -234.622 -144.001 -275.66 -109.901 40.1828 -64.895 -4.26525 235.052 PRESSAVG: 2495400 80.0724 -88.6004 -46.2021 -88.6004 -53.459 -21.0287 -46.2021 -21.0286 -1.9788 GPRESSAVG: 2495400 78.0206 -89.4073 -45.8116 -88.5064 -52.354 -22.4863 -47.1985 -20.7139 -1.44018 TIMING: 2495400 CPU: 7962.1, 0.00310755/step Wall: 7962.1, 0.00310755/step, 2.16199 hours remaining, 234.902344 MB of memory in use. ENERGY: 2495400 4012.3619 20498.4509 14516.6206 256.7346 -203411.9063 2709.6866 0.0000 0.0000 51978.6619 -109439.3897 298.7221 -161418.0517 -109079.5330 299.1490 107.7829 140.0753 760487.9655 8.2115 8.0755 PRESSURE: 2495600 56.3575 -74.4347 136.373 -74.4349 -29.2757 41.2883 136.374 41.2878 296.576 GPRESSURE: 2495600 120.231 -120.551 131.779 61.7981 -33.8879 9.55453 85.1188 1.75884 320.045 PRESSAVG: 2495600 3.79158 -73.068 45.8154 -73.0679 -16.5368 -11.0766 45.8155 -11.0766 18.5762 GPRESSAVG: 2495600 3.61407 -72.9491 44.6006 -72.9619 -16.2765 -11.2032 49.5313 -11.8355 19.2995 TIMING: 2495600 CPU: 7962.73, 0.00311708/step Wall: 7962.73, 0.00311708/step, 2.16845 hours remaining, 234.902344 MB of memory in use. ENERGY: 2495600 3917.1499 20550.0064 14442.4820 227.2169 -203567.2337 2744.8759 0.0000 0.0000 52060.5134 -109624.9893 299.1925 -161685.5027 -109256.8066 298.5983 107.8860 135.4627 762502.1607 1.9437 2.2123 PRESSURE: 2495800 248.582 62.3348 -32.2926 62.3345 128.323 179.081 -32.2918 179.083 176.909 GPRESSURE: 2495800 230.757 -48.0554 -118.098 15.9192 198.825 233.887 9.88389 79.7632 209.834 PRESSAVG: 2495800 66.7564 -33.8837 69.3723 -33.8837 -64.4574 -23.8507 69.3724 -23.8507 11.321 GPRESSAVG: 2495800 66.1666 -33.725 68.0825 -34.7502 -63.9813 -23.9749 68.2889 -23.7098 11.1874 TIMING: 2495800 CPU: 7963.35, 0.00311214/step Wall: 7963.35, 0.00311214/step, 2.16484 hours remaining, 234.902344 MB of memory in use. ENERGY: 2495800 3928.6179 20630.3037 14482.1399 225.7101 -203649.8993 2851.3112 0.0000 0.0000 51879.5780 -109652.2386 298.1526 -161531.8165 -109306.1568 298.6727 184.6046 213.1387 761045.9886 4.5400 4.4576 PRESSURE: 2496000 177.611 -80.229 163.52 -80.2298 85.8468 -104.449 163.52 -104.448 -42.0147 GPRESSURE: 2496000 152.029 -44.6884 155.217 -42.3719 157.119 -146.356 109.169 -45.5461 -12.4091 PRESSAVG: 2496000 54.5193 -60.8844 33.8549 -60.8844 8.83465 -10.0319 33.8549 -10.0319 7.13211 GPRESSAVG: 2496000 54.7818 -61.0659 34.4711 -59.6904 8.38295 -8.77803 33.3734 -8.88216 7.72931 TIMING: 2496000 CPU: 7963.97, 0.00311024/step Wall: 7963.97, 0.00311024/step, 2.16334 hours remaining, 234.902344 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: 2496000 4035.5104 20357.1572 14410.1698 259.6214 -203367.1683 2637.6090 0.0000 0.0000 52103.2967 -109563.8040 299.4384 -161667.1007 -109202.3736 298.8733 73.8143 98.9130 760933.0133 23.4954 23.6314 PRESSURE: 2496200 -38.9441 111.973 45.4952 111.973 51.3545 61.6493 45.4959 61.6505 -56.9386 GPRESSURE: 2496200 7.13681 49.6348 110.587 33.7057 88.9609 72.8946 18.0359 21.7408 -57.9006 PRESSAVG: 2496200 -37.579 -83.8138 -27.9894 -83.8139 16.0099 -33.4243 -27.9894 -33.4243 -13.2635 GPRESSAVG: 2496200 -36.4501 -81.7023 -29.9947 -85.8717 15.995 -33.6986 -27.6096 -34.5788 -14.7102 TIMING: 2496200 CPU: 7964.59, 0.00310791/step Wall: 7964.59, 0.00310791/step, 2.16155 hours remaining, 234.902344 MB of memory in use. ENERGY: 2496200 3927.8489 20285.7041 14500.3772 269.4681 -203024.0813 2550.0586 0.0000 0.0000 51905.0314 -109585.5932 298.2989 -161490.6245 -109228.8170 298.1484 -14.8428 12.7324 762256.7421 -11.6109 -11.7218 LDB: ============= START OF LOAD BALANCING ============== 7977.01 LDB: ============== END OF LOAD BALANCING =============== 7977.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7977.01 LDB: ============= START OF LOAD BALANCING ============== 7977.33 LDB: Largest compute 7031 load 0.033499 is 17.1% of average load 0.195568 LDB: Average compute 0.004377 is 2.2% of average load 0.195568 LDB: TIME 7977.33 LOAD: AVG 0.195568 MAX 0.216021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.129 MB LDB: TIME 7977.33 LOAD: AVG 0.195568 MAX 0.216021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: TIME 7977.33 LOAD: AVG 0.195568 MAX 0.216021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: ============== END OF LOAD BALANCING =============== 7977.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7977.34 PRESSURE: 2496400 -116.262 -36.7474 -91.6533 -36.7479 -35.3662 -316.91 -91.6536 -316.909 -214.158 GPRESSURE: 2496400 -111.752 33.1356 -60.7684 -218.86 25.0211 -297.56 -285.091 -279.618 -197.312 PRESSAVG: 2496400 -3.95602 -114.51 6.23247 -114.51 25.7089 -20.4825 6.23248 -20.4825 3.3259 GPRESSAVG: 2496400 -4.12857 -115.272 7.91723 -115.433 25.7149 -19.9358 7.75302 -20.8474 3.41639 TIMING: 2496400 CPU: 7965.23, 0.00318698/step Wall: 7965.23, 0.00318698/step, 2.21637 hours remaining, 235.222656 MB of memory in use. ENERGY: 2496400 4017.9142 20351.9293 14468.4916 234.4009 -203444.8285 2800.5418 0.0000 0.0000 51865.4594 -109706.0915 298.0715 -161571.5508 -109347.8771 298.4286 -121.9287 -94.6808 762782.2640 8.3596 8.3342 PRESSURE: 2496600 294.731 -145.736 174.324 -145.736 136.931 -121.719 174.325 -121.72 107.71 GPRESSURE: 2496600 252.036 -183.052 -4.82892 -218.035 188.329 -114.302 126.002 -140.475 191.928 PRESSAVG: 2496600 -35.559 -91.6271 -7.29961 -91.6271 41.5123 -22.8402 -7.29957 -22.8401 -6.33056 GPRESSAVG: 2496600 -34.6278 -93.384 -7.46692 -89.015 40.9751 -24.3886 -8.25942 -21.9463 -6.68685 TIMING: 2496600 CPU: 7965.86, 0.00313548/step Wall: 7965.86, 0.00313548/step, 2.18038 hours remaining, 235.222656 MB of memory in use. ENERGY: 2496600 3944.0234 20442.4322 14408.6583 259.7763 -203014.4627 2299.6846 0.0000 0.0000 51746.7402 -109913.1476 297.3892 -161659.8878 -109555.6590 297.8662 179.7907 210.7640 760992.0803 -0.1258 -0.1132 PRESSURE: 2496800 -355.798 55.129 56.6659 55.129 -565.52 -78.493 56.6658 -78.4947 -244.409 GPRESSURE: 2496800 -210.916 119.151 33.6716 2.85121 -578.909 -44.0297 0.701696 -47.1398 -299.944 PRESSAVG: 2496800 25.8293 -106.331 19.0118 -106.331 -3.31176 17.5544 19.0118 17.5544 23.3135 GPRESSAVG: 2496800 23.9796 -105.252 20.5587 -106.163 -1.9432 18.4697 18.298 15.8263 24.0609 TIMING: 2496800 CPU: 7966.48, 0.00311869/step Wall: 7966.48, 0.00311869/step, 2.16853 hours remaining, 235.222656 MB of memory in use. ENERGY: 2496800 3924.1081 20374.9989 14372.3113 260.8449 -202714.4100 1953.3098 0.0000 0.0000 52077.7099 -109751.1271 299.2913 -161828.8371 -109376.6946 297.9991 -388.5756 -363.2566 762204.3568 15.2770 15.3658 PRESSURE: 2497000 98.0956 118.266 12.4098 118.266 -73.8123 -60.8191 12.4106 -60.8183 54.5395 GPRESSURE: 2497000 121.033 129.825 99.2101 104.648 -41.7778 49.0639 -74.8859 -99.9264 91.2875 PRESSAVG: 2497000 17.7864 -38.9459 24.442 -38.9459 -15.9978 -33.1876 24.4421 -33.1876 1.70601 GPRESSAVG: 2497000 17.7772 -39.8471 24.407 -38.0792 -16.3711 -32.8674 24.6876 -31.2241 1.84436 TIMING: 2497000 CPU: 7967.11, 0.00312191/step Wall: 7967.11, 0.00312191/step, 2.17059 hours remaining, 235.222656 MB of memory in use. ENERGY: 2497000 4043.1213 20403.3414 14513.9448 247.5442 -203138.1854 2369.6029 0.0000 0.0000 51891.7564 -109668.8745 298.2226 -161560.6309 -109311.7165 298.2656 26.2742 56.8474 762427.6534 1.1649 1.0835 PRESSURE: 2497200 496.25 -117.023 -2.28111 -117.023 190.052 -63.8718 -2.2818 -63.8713 25.2595 GPRESSURE: 2497200 473.486 -5.16055 -89.3263 -152.788 297.263 -94.9341 -93.8387 -43.2948 10.841 PRESSAVG: 2497200 51.5832 -64.1468 39.7978 -64.1468 -87.1416 33.123 39.7979 33.123 23.14 GPRESSAVG: 2497200 52.5475 -63.3535 37.8849 -65.9182 -86.2848 31.4986 39.5512 31.9898 21.8943 TIMING: 2497200 CPU: 7967.73, 0.00312019/step Wall: 7967.73, 0.00312019/step, 2.16923 hours remaining, 235.222656 MB of memory in use. ENERGY: 2497200 3916.8756 20460.8943 14464.2513 249.1424 -203420.7889 2685.3612 0.0000 0.0000 51989.2487 -109655.0155 298.7829 -161644.2641 -109296.6824 298.8619 237.1873 260.5300 762360.2373 -4.1395 -3.9477 PRESSURE: 2497400 -356.966 -54.9579 -16.9636 -54.9575 104.345 54.2845 -16.9646 54.2846 -151.689 GPRESSURE: 2497400 -267.281 -93.9697 -27.3617 -70.8616 60.1542 35.246 122.447 108.254 -110.959 PRESSAVG: 2497400 35.5085 -44.3968 -11.3098 -44.3968 -24.5734 51.269 -11.3098 51.2689 4.61718 GPRESSAVG: 2497400 35.9162 -44.0244 -11.3363 -43.8433 -26.053 53.0057 -10.4561 50.0714 5.71521 TIMING: 2497400 CPU: 7968.35, 0.00311529/step Wall: 7968.35, 0.00311529/step, 2.16565 hours remaining, 235.222656 MB of memory in use. ENERGY: 2497400 3993.2396 20382.6725 14484.7274 271.0634 -203618.0314 2638.8503 0.0000 0.0000 52046.2560 -109801.2222 299.1105 -161847.4782 -109437.1544 298.7437 -134.7702 -106.0285 762812.2365 5.1841 5.1928 PRESSURE: 2497600 97.6849 -15.1421 -22.5631 -15.142 28.8609 -370.458 -22.5633 -370.458 283.911 GPRESSURE: 2497600 103.852 -10.0095 58.3219 6.63694 121.402 -406.172 -135.401 -331.813 282.975 PRESSAVG: 2497600 12.5851 -27.193 21.845 -27.193 3.76426 43.0146 21.845 43.0145 2.97759 GPRESSAVG: 2497600 13.2861 -26.3494 23.5769 -28 4.9905 42.032 20.4316 45.0609 1.14957 TIMING: 2497600 CPU: 7968.98, 0.00313684/step Wall: 7968.98, 0.00313684/step, 2.18045 hours remaining, 235.222656 MB of memory in use. ENERGY: 2497600 3901.4925 20297.4793 14433.7104 243.0672 -203597.1176 2883.7128 0.0000 0.0000 52098.6547 -109739.0008 299.4117 -161837.6555 -109382.4723 298.1500 136.8189 169.4099 761788.1339 6.4423 6.4754 PRESSURE: 2497800 -248.283 217.722 -38.9245 217.723 149.184 -25.8532 -38.9241 -25.8539 33.2624 GPRESSURE: 2497800 -122.834 222.292 -26.8227 206.013 172.646 -4.36676 -8.51323 -33.6751 -33.8213 PRESSAVG: 2497800 11.1243 -3.59736 -14.3054 -3.59731 -32.7087 3.15155 -14.3054 3.15146 1.60984 GPRESSAVG: 2497800 10.8791 -6.6282 -14.3256 -2.18514 -34.4146 4.36805 -14.0117 3.20578 3.65617 TIMING: 2497800 CPU: 7969.6, 0.00311605/step Wall: 7969.6, 0.00311605/step, 2.16582 hours remaining, 235.222656 MB of memory in use. ENERGY: 2497800 3973.7073 20525.2208 14507.3458 259.9346 -203310.1358 2470.3493 0.0000 0.0000 51713.1496 -109860.4284 297.1962 -161573.5780 -109500.3203 298.0892 -21.9455 5.3300 762405.5264 -6.6582 -6.6264 PRESSURE: 2498000 43.4765 -120.693 98.6593 -120.693 -11.0147 172.151 98.6595 172.152 65.8602 GPRESSURE: 2498000 53.5102 -21.3348 29.6288 -30.2338 45.3334 106.928 30.6506 187.305 83.2453 PRESSAVG: 2498000 40.9523 0.241968 58.9233 0.24192 -10.4658 31.7174 58.9233 31.7175 -9.36273 GPRESSAVG: 2498000 39.9113 0.963288 57.9258 -1.73889 -9.40999 31.6851 60.2632 30.2089 -9.10984 TIMING: 2498000 CPU: 7970.23, 0.00315158/step Wall: 7970.23, 0.00315158/step, 2.19035 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2498000 3945.8498 20424.4855 14474.5521 242.3062 -203709.0269 2701.5815 0.0000 0.0000 52063.9357 -109856.3162 299.2122 -161920.2519 -109486.7094 297.9928 32.7740 60.6963 761585.8722 7.0413 7.1305 PRESSURE: 2498200 -103.296 9.77708 38.257 9.77677 -63.1864 26.2577 38.2573 26.2581 -99.3893 GPRESSURE: 2498200 -103.254 -110.754 -19.1269 -94.0133 26.7026 97.9074 98.6291 -73.4891 -109.289 PRESSAVG: 2498200 64.8106 -37.7082 47.8566 -37.7082 -64.2459 47.7256 47.8566 47.7257 2.8216 GPRESSAVG: 2498200 64.8673 -36.1701 48.9612 -36.9987 -64.5149 48.3726 45.5578 47.8066 2.63802 TIMING: 2498200 CPU: 7970.86, 0.00313899/step Wall: 7970.86, 0.00313899/step, 2.18142 hours remaining, 235.222656 MB of memory in use. ENERGY: 2498200 3994.6107 20381.9142 14453.4012 262.5340 -203124.5892 2580.6524 0.0000 0.0000 51758.6931 -109692.7836 297.4579 -161451.4767 -109332.1341 298.4066 -88.6240 -61.9470 764405.9122 1.1288 0.9968 PRESSURE: 2498400 -58.6062 68.1441 159.333 68.1433 -86.615 -70.8748 159.333 -70.8749 -198.258 GPRESSURE: 2498400 28.5309 75.8442 165.57 19.6207 -21.8789 -15.4536 90.1648 -61.9632 -240.475 PRESSAVG: 2498400 28.7602 -51.7257 -4.8377 -51.7257 -36.8056 -27.909 -4.83767 -27.909 41.7018 GPRESSAVG: 2498400 28.9408 -52.0996 -6.86471 -54.4436 -36.1679 -25.2907 -3.8697 -29.3369 40.8071 TIMING: 2498400 CPU: 7971.49, 0.0031402/step Wall: 7971.49, 0.0031402/step, 2.18209 hours remaining, 235.222656 MB of memory in use. ENERGY: 2498400 3915.2037 20408.4174 14437.8632 231.1565 -202998.8737 2522.9610 0.0000 0.0000 51761.2030 -109722.0689 297.4723 -161483.2719 -109363.6906 297.8586 -114.4932 -77.9410 761888.1350 11.2188 11.1933 PRESSURE: 2498600 281.733 -167.682 -275.906 -167.682 20.8529 4.08971 -275.906 4.08896 193.039 GPRESSURE: 2498600 177.232 -192.994 -270.732 -99.8393 142.307 -42.0737 -101.088 -67.921 246.467 PRESSAVG: 2498600 53.4927 -68.768 22.2571 -68.7681 -50.8693 3.2262 22.2571 3.2262 -5.31377 GPRESSAVG: 2498600 53.4856 -68.6795 23.194 -67.6482 -51.7564 0.464623 22.7282 4.39007 -3.76869 TIMING: 2498600 CPU: 7972.12, 0.00314371/step Wall: 7972.12, 0.00314371/step, 2.18435 hours remaining, 235.222656 MB of memory in use. ENERGY: 2498600 4003.2698 20361.7510 14509.1789 242.7254 -203371.5979 2760.9061 0.0000 0.0000 52120.8350 -109372.9318 299.5392 -161493.7668 -109014.6169 298.3011 165.2083 188.6688 758585.6686 -0.8968 -0.6798 PRESSURE: 2498800 296.739 -77.8414 -10.4638 -77.8417 -305.105 -44.374 -10.4629 -44.3736 -119.439 GPRESSURE: 2498800 338.877 -67.0633 31.5767 -43.9306 -270.839 -46.4087 34.2476 -69.2464 -103.697 PRESSAVG: 2498800 12.777 -48.1482 -10.7597 -48.1483 -62.3211 -29.8881 -10.7597 -29.888 37.1153 GPRESSAVG: 2498800 13.934 -49.5529 -10.5857 -46.3664 -62.7903 -29.7807 -10.8133 -29.9178 36.5824 TIMING: 2498800 CPU: 7972.74, 0.00313063/step Wall: 7972.74, 0.00313063/step, 2.17509 hours remaining, 235.222656 MB of memory in use. ENERGY: 2498800 3957.4649 20558.2054 14515.4588 240.0930 -203298.1163 2595.5287 0.0000 0.0000 51955.4430 -109475.9224 298.5886 -161431.3655 -109115.2560 298.8251 -42.6019 -11.8865 759772.7805 -4.1429 -4.0913 PRESSURE: 2499000 -316.016 50.7559 -72.595 50.7565 -51.771 -123.922 -72.5954 -123.922 358.115 GPRESSURE: 2499000 -177.122 88.5886 -91.1749 -29.7193 -76.0012 -96.0938 -20.7745 -171.862 302.884 PRESSAVG: 2499000 6.22643 -6.51847 28.8887 -6.51843 -7.24716 -21.7446 28.8888 -21.7446 12.3644 GPRESSAVG: 2499000 6.2056 -4.25847 28.9892 -7.78886 -6.80121 -21.6232 28.5864 -21.2852 11.574 TIMING: 2499000 CPU: 7973.37, 0.00313562/step Wall: 7973.37, 0.00313562/step, 2.17838 hours remaining, 235.222656 MB of memory in use. ENERGY: 2499000 4010.0700 20508.3568 14479.3146 226.0080 -203246.5032 2384.8838 0.0000 0.0000 52286.6185 -109351.2514 300.4919 -161637.8698 -108976.0989 299.5093 -3.2242 16.5870 761502.5047 3.7812 3.6595 PRESSURE: 2499200 67.7079 78.377 67.3994 78.3774 238.797 265.248 67.3983 265.248 15.6537 GPRESSURE: 2499200 49.4388 113.037 121.206 141.375 259.17 206.081 106.491 254.496 81.7899 PRESSAVG: 2499200 -0.553976 -25.1827 9.29378 -25.1827 0.0688625 2.61622 9.29387 2.61627 -0.212683 GPRESSAVG: 2499200 -2.37555 -26.7204 9.20819 -24.6706 1.74268 2.26131 9.78895 3.2701 0.462127 TIMING: 2499200 CPU: 7974, 0.00314382/step Wall: 7974, 0.00314382/step, 2.18391 hours remaining, 235.222656 MB of memory in use. ENERGY: 2499200 4052.3650 20482.2843 14437.7695 240.4682 -203049.6190 2532.4487 0.0000 0.0000 52042.5587 -109261.7245 299.0893 -161304.2832 -108892.0488 299.5414 107.3861 130.1328 760114.4972 -0.2326 -0.0569 PRESSURE: 2499400 387.688 8.44391 88.1611 8.44409 -6.57261 116.648 88.1615 116.648 27.7833 GPRESSURE: 2499400 316.6 -84.966 -15.2781 74.1011 90.8526 13.7835 197.93 82.1696 73.7568 PRESSAVG: 2499400 55.558 -10.747 7.00809 -10.747 -43.5431 1.28801 7.00812 1.28795 24.4953 GPRESSAVG: 2499400 54.2461 -10.8372 5.24289 -11.0659 -43.5184 -0.0657539 8.15798 0.870898 25.932 TIMING: 2499400 CPU: 7974.63, 0.00313784/step Wall: 7974.63, 0.00313784/step, 2.17958 hours remaining, 235.222656 MB of memory in use. ENERGY: 2499400 3986.1405 20527.3513 14456.5494 259.2537 -203234.6055 2634.0783 0.0000 0.0000 52075.9679 -109295.2643 299.2813 -161371.2322 -108935.7931 299.2727 136.2997 160.4032 760623.3266 12.1701 12.2199 PRESSURE: 2499600 -98.7198 -223.965 -68.3442 -223.965 -605.697 -47.7704 -68.3443 -47.77 -91.8552 GPRESSURE: 2499600 -66.5494 -157.487 -92.979 -207.951 -513.442 -86.2375 34.6834 -12.277 -133.564 PRESSAVG: 2499600 8.35724 -2.69651 24.8312 -2.69656 28.6094 13.4857 24.8312 13.4856 12.7192 GPRESSAVG: 2499600 12.0162 -1.48988 25.5541 -4.23171 27.855 15.3211 23.6348 13.5833 10.4561 TIMING: 2499600 CPU: 7975.25, 0.00313463/step Wall: 7975.25, 0.00313464/step, 2.17718 hours remaining, 235.222656 MB of memory in use. ENERGY: 2499600 4006.6832 20477.3942 14498.0058 271.9924 -203194.1182 2471.1977 0.0000 0.0000 52235.0424 -109233.8026 300.1955 -161468.8450 -108873.1780 299.2833 -265.4240 -237.8518 762510.4308 16.5619 16.7757 PRESSURE: 2499800 -106.674 72.5569 86.2293 72.5568 27.8133 -16.3125 86.2286 -16.3123 13.6838 GPRESSURE: 2499800 -103.969 150.717 131.963 73.9403 42.0973 72.7233 165.368 -90.7428 87.1954 PRESSAVG: 2499800 -13.2704 -8.73394 53.5709 -8.73388 50.3299 -40.6893 53.5709 -40.6892 0.464231 GPRESSAVG: 2499800 -14.0569 -9.44512 53.7085 -8.22891 50.2908 -39.3617 53.7943 -41.9073 1.62479 TIMING: 2499800 CPU: 7975.88, 0.00314294/step Wall: 7975.88, 0.00314294/step, 2.18277 hours remaining, 235.222656 MB of memory in use. ENERGY: 2499800 3909.6998 20587.1399 14514.1865 253.2986 -203067.4306 2578.7284 0.0000 0.0000 52240.3388 -108984.0386 300.2259 -161224.3774 -108626.0754 300.0100 -21.7258 8.4411 762074.2254 12.5079 12.6195 PRESSURE: 2500000 -96.3688 -87.1766 24.7431 -87.1767 -71.0248 -109.755 24.7436 -109.755 -119.623 GPRESSURE: 2500000 -1.4878 -210.329 65.7398 -150.298 -80.5749 -96.7234 89.4858 -80.4936 -127.115 PRESSAVG: 2500000 -12.41 -26.3565 3.13968 -26.3566 1.0953 -68.1455 3.13963 -68.1455 -11.6153 GPRESSAVG: 2500000 -12.1859 -26.329 4.40773 -26.6608 0.818005 -70.4915 2.21607 -66.9135 -11.6491 TIMING: 2500000 CPU: 7976.51, 0.00315255/step Wall: 7976.51, 0.00315255/step, 2.18927 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2500000 3875.2075 20325.8212 14482.1310 248.1639 -202820.1983 2158.9353 0.0000 0.0000 52767.8777 -108962.0617 303.2577 -161729.9394 -108588.2567 299.8349 -95.6723 -69.7258 760706.4310 -7.6433 -7.6723 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.4.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 94.8168 -97.4751 39.6099 -97.4752 424.867 -38.185 39.6104 -38.1848 197.814 GPRESSURE: 2500200 105.239 -40.5902 -42.5261 9.04667 427.512 -110.22 73.4894 53.5944 272.562 PRESSAVG: 2500200 61.5216 -72.0454 -39.4469 -72.0454 17.0813 -41.8123 -39.4469 -41.8123 12.8927 GPRESSAVG: 2500200 60.4005 -71.7905 -39.6924 -70.8348 18.5931 -41.7954 -39.8958 -40.9037 12.6306 TIMING: 2500200 CPU: 7977.16, 0.00324578/step Wall: 7977.16, 0.00324578/step, 2.25383 hours remaining, 235.222656 MB of memory in use. ENERGY: 2500200 3952.8960 20519.4495 14478.8348 274.7669 -203113.3662 2602.1154 0.0000 0.0000 52340.7995 -108944.5041 300.8033 -161285.3035 -108575.1750 300.2996 239.1659 268.4374 759425.9130 30.4985 30.5414 LDB: ============= START OF LOAD BALANCING ============== 7989.58 LDB: ============== END OF LOAD BALANCING =============== 7989.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7989.58 LDB: ============= START OF LOAD BALANCING ============== 7989.9 LDB: Largest compute 7031 load 0.035220 is 18.0% of average load 0.195500 LDB: Average compute 0.004393 is 2.2% of average load 0.195500 LDB: TIME 7989.9 LOAD: AVG 0.1955 MAX 0.216338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234 MB LDB: TIME 7989.9 LOAD: AVG 0.1955 MAX 0.216338 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: TIME 7989.9 LOAD: AVG 0.1955 MAX 0.216338 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: ============== END OF LOAD BALANCING =============== 7989.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7989.91 PRESSURE: 2500400 -25.2162 -136.312 30.8162 -136.312 -193.622 -38.1107 30.8161 -38.1104 -132.681 GPRESSURE: 2500400 -18.0415 -127.457 0.817963 -50.1991 -197.704 -33.2222 19.9622 -68.6544 -58.2502 PRESSAVG: 2500400 5.68206 -56.8505 35.4214 -56.8505 21.9957 -14.3271 35.4214 -14.327 3.8405 GPRESSAVG: 2500400 7.00683 -58.9134 35.6053 -56.3848 20.3442 -14.5103 34.6254 -14.0722 4.26816 TIMING: 2500400 CPU: 7977.8, 0.00318847/step Wall: 7977.8, 0.00318847/step, 2.21386 hours remaining, 233.429688 MB of memory in use. ENERGY: 2500400 3958.5739 20777.3143 14504.6039 224.3475 -202415.1845 2195.5562 0.0000 0.0000 52154.9730 -108599.8157 299.7353 -160754.7886 -108239.1639 300.6486 -117.1731 -91.3320 761318.6773 10.5061 10.5397 PRESSURE: 2500600 12.7414 89.0713 -7.13368 89.0707 5.47451 14.7418 -7.13433 14.7418 125.804 GPRESSURE: 2500600 141.166 29.9508 59.1488 118.694 -8.83173 -64.4548 110.588 30.3905 102.547 PRESSAVG: 2500600 2.85072 -22.7205 -18.3764 -22.7204 -7.81523 -52.826 -18.3764 -52.8259 1.44962 GPRESSAVG: 2500600 2.54795 -21.1297 -19.3207 -22.6732 -6.63864 -51.3886 -16.3657 -53.4235 0.263904 TIMING: 2500600 CPU: 7978.43, 0.00313814/step Wall: 7978.43, 0.00313814/step, 2.17874 hours remaining, 233.628906 MB of memory in use. ENERGY: 2500600 3996.0097 20651.6257 14520.4053 260.8033 -203084.5883 2544.2253 0.0000 0.0000 52218.6983 -108892.8207 300.1016 -161111.5190 -108528.2021 300.4134 48.0068 78.2938 761964.6927 -1.1716 -1.2756 PRESSURE: 2500800 423.523 162.287 1.95618 162.287 -208.304 -104.778 1.95565 -104.778 -434.995 GPRESSURE: 2500800 359.603 76.3304 75.0588 87.5398 -96.358 -83.2312 -43.6751 -106.493 -384.312 PRESSAVG: 2500800 27.4927 -37.6862 -24.5322 -37.6861 15.0324 -19.8722 -24.5322 -19.8721 -16.8583 GPRESSAVG: 2500800 26.1285 -38.9458 -22.9799 -37.976 15.3236 -19.6513 -25.2849 -20.375 -15.7065 TIMING: 2500800 CPU: 7979.06, 0.00313587/step Wall: 7979.06, 0.00313587/step, 2.17699 hours remaining, 233.628906 MB of memory in use. ENERGY: 2500800 3970.5560 20788.1916 14453.9615 256.5942 -203053.5877 2555.8275 0.0000 0.0000 51997.9752 -109030.4816 298.8331 -161028.4568 -108670.5346 300.5976 -73.2587 -40.3556 762969.3512 8.5556 8.5819 PRESSURE: 2501000 -194.438 -142.34 204.536 -142.34 122.923 196.627 204.535 196.626 -30.6628 GPRESSURE: 2501000 -55.7752 -75.029 170.367 -32.8019 -40.4092 102.47 185.033 315.285 81.6377 PRESSAVG: 2501000 3.3938 -42.1535 -2.24092 -42.1535 -47.7737 -50.4998 -2.24096 -50.4999 -17.7248 GPRESSAVG: 2501000 4.74333 -42.629 -3.8479 -42.0071 -49.7145 -50.6814 -0.949117 -47.6386 -16.7371 TIMING: 2501000 CPU: 7979.68, 0.00314181/step Wall: 7979.68, 0.00314182/step, 2.18094 hours remaining, 233.628906 MB of memory in use. ENERGY: 2501000 3940.4364 20715.2888 14506.6780 239.3189 -203220.6267 2623.9934 0.0000 0.0000 52328.3015 -108866.6098 300.7315 -161194.9113 -108507.5347 300.0793 -34.0594 -4.8489 762578.8054 -20.7016 -20.5694 PRESSURE: 2501200 -167.02 -344.092 98.2053 -344.092 -90.5019 92.5603 98.2058 92.5611 54.7678 GPRESSURE: 2501200 -134.926 -158.225 91.152 -366.912 -7.70008 5.21431 64.615 214.816 10.4982 PRESSAVG: 2501200 75.0168 -68.9238 -22.1103 -68.9238 -44.9411 22.2598 -22.1103 22.2598 12.3813 GPRESSAVG: 2501200 76.3107 -64.5321 -22.6342 -67.5288 -44.7249 21.0326 -22.0914 20.7042 10.8474 TIMING: 2501200 CPU: 7980.31, 0.0031398/step Wall: 7980.31, 0.0031398/step, 2.17937 hours remaining, 233.628906 MB of memory in use. ENERGY: 2501200 4085.9041 20595.1167 14498.5590 260.8226 -203373.0781 2665.2589 0.0000 0.0000 52517.5478 -108749.8691 301.8191 -161267.4169 -108380.9168 300.5872 -67.5846 -44.0425 763080.4696 14.1523 14.1444 PRESSURE: 2501400 13.1339 175.129 -350.593 175.129 380.262 105.916 -350.594 105.915 -428.395 GPRESSURE: 2501400 35.6477 127.092 -375.478 178.858 381.807 59.6212 -295.648 18.0334 -361.115 PRESSAVG: 2501400 33.2926 -22.0898 19.5466 -22.0898 -8.37385 72.0995 19.5466 72.0995 -17.7978 GPRESSAVG: 2501400 32.656 -25.0179 20.1217 -23.0971 -7.41212 74.5332 20.1702 71.5906 -17.6164 TIMING: 2501400 CPU: 7980.94, 0.00312078/step Wall: 7980.94, 0.00312078/step, 2.16599 hours remaining, 233.628906 MB of memory in use. ENERGY: 2501400 4026.9297 20750.1472 14474.8426 243.7020 -203158.2300 2520.1060 0.0000 0.0000 52278.8081 -108863.6943 300.4470 -161142.5024 -108507.9735 300.5155 -11.6664 18.7798 762096.1379 2.3736 2.5425 PRESSURE: 2501600 -122.605 55.999 179.087 55.9993 51.8817 -57.1637 179.085 -57.1637 -236.384 GPRESSURE: 2501600 11.5274 89.2834 163.909 64.9793 -68.6099 -78.9895 184.653 -14.6282 -169.161 PRESSAVG: 2501600 50.7432 -2.7116 29.5189 -2.71158 -47.0319 -2.47525 29.5189 -2.47525 0.460305 GPRESSAVG: 2501600 49.5804 -4.91902 30.1813 -1.54046 -47.3127 -2.48019 28.2269 -4.07332 1.37765 TIMING: 2501600 CPU: 7981.56, 0.00312571/step Wall: 7981.56, 0.00312571/step, 2.16925 hours remaining, 233.628906 MB of memory in use. ENERGY: 2501600 3992.6551 20594.2664 14482.4006 239.7767 -203144.4541 2486.2713 0.0000 0.0000 52226.6504 -109122.4337 300.1473 -161349.0840 -108750.3112 300.1297 -102.3692 -75.4146 760990.4580 1.3906 1.2151 PRESSURE: 2501800 -358.674 -58.7543 -157.627 -58.7543 -785.654 -45.7174 -157.627 -45.717 -601.885 GPRESSURE: 2501800 -423.047 50.9083 -188.935 -123.956 -761.474 59.839 -229.648 67.9762 -496.584 PRESSAVG: 2501800 11.7326 33.6825 18.2444 33.6825 -67.214 48.4818 18.2444 48.4819 -4.46388 GPRESSAVG: 2501800 12.4328 35.3427 18.3456 32.1555 -66.5655 47.5186 18.3929 51.1587 -5.21287 TIMING: 2501800 CPU: 7982.19, 0.0031347/step Wall: 7982.19, 0.0031347/step, 2.17531 hours remaining, 233.628906 MB of memory in use. ENERGY: 2501800 4022.2508 20629.1116 14496.0754 263.0577 -203049.6240 2324.9208 0.0000 0.0000 52147.8318 -109166.3759 299.6943 -161314.2077 -108805.8013 299.7121 -582.0710 -560.3682 763118.6850 -19.9818 -19.7818 PRESSURE: 2502000 160.979 11.9629 -102.41 11.9629 -564.318 134.138 -102.409 134.137 -344.618 GPRESSURE: 2502000 177.22 2.58293 -74.4391 22.6148 -520.122 57.6602 -164.926 174.522 -308.4 PRESSAVG: 2502000 65.1958 19.7706 4.86256 19.7706 -59.3754 1.08182 4.86255 1.08183 13.0742 GPRESSAVG: 2502000 65.5585 16.5523 4.47689 21.7631 -60.5793 1.48261 5.32757 -0.595396 13.3825 TIMING: 2502000 CPU: 7982.81, 0.00311942/step Wall: 7982.81, 0.00311942/step, 2.16453 hours remaining, 233.628906 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: 2502000 4054.2199 20445.1474 14540.1579 238.4271 -203694.9772 2632.9915 0.0000 0.0000 52339.2634 -109444.7699 300.7945 -161784.0333 -109068.9676 299.3603 -249.3189 -217.1007 761230.9908 6.2982 6.1205 PRESSURE: 2502200 86.7231 18.7212 -145.92 18.7203 -312.409 -36.8434 -145.92 -36.8428 -224.221 GPRESSURE: 2502200 149.822 187.369 -118.941 31.78 -263.603 -13.629 160.589 -42.654 -237.399 PRESSAVG: 2502200 124.466 -10.8317 -1.97004 -10.8316 -113.264 64.0232 -1.97 64.0232 -25.6513 GPRESSAVG: 2502200 124.316 -7.23185 -2.66601 -12.9311 -113.086 63.1984 -0.766061 63.6236 -25.924 TIMING: 2502200 CPU: 7983.44, 0.0031242/step Wall: 7983.44, 0.0031242/step, 2.16767 hours remaining, 233.628906 MB of memory in use. ENERGY: 2502200 3914.5998 20598.8422 14494.5207 241.8016 -203314.3933 2510.3181 0.0000 0.0000 52045.5526 -109508.7583 299.1065 -161554.3108 -109143.9146 299.0663 -149.9689 -117.0603 761565.2941 -4.8161 -4.8979 PRESSURE: 2502400 252.38 294.07 105.601 294.07 228.151 -79.213 105.601 -79.2125 97.1861 GPRESSURE: 2502400 207.733 179.118 16.1216 307.035 252.057 -50.7239 94.8607 -15.1518 199.958 PRESSAVG: 2502400 52.0263 27.5557 -0.130401 27.5557 -54.1517 -21.7395 -0.130397 -21.7395 13.7664 GPRESSAVG: 2502400 51.7061 27.6836 0.464252 27.4974 -53.7514 -20.7734 -1.38545 -20.0311 13.2811 TIMING: 2502400 CPU: 7984.06, 0.00314151/step Wall: 7984.06, 0.00314151/step, 2.17951 hours remaining, 233.628906 MB of memory in use. ENERGY: 2502400 3949.6610 20582.8111 14471.9916 249.8391 -203579.6346 2712.1095 0.0000 0.0000 52295.9205 -109317.3017 300.5454 -161613.2223 -108954.2145 299.6904 192.5722 219.9160 761557.7337 3.8803 3.7453 PRESSURE: 2502600 -97.3098 150.24 40.9155 150.24 -473.376 85.1841 40.9154 85.1837 157.233 GPRESSURE: 2502600 -98.9333 194.613 46.4878 233.707 -366.47 152.118 -182.64 -13.8368 143.169 PRESSAVG: 2502600 52.9953 12.7601 6.52921 12.7601 -41.8417 46.5641 6.52925 46.5641 11.673 GPRESSAVG: 2502600 53.0572 13.7446 7.54661 13.9499 -41.2907 46.6171 5.47501 45.3769 11.6729 TIMING: 2502600 CPU: 7984.69, 0.00312902/step Wall: 7984.69, 0.00312902/step, 2.17067 hours remaining, 233.628906 MB of memory in use. ENERGY: 2502600 4005.3334 20632.4081 14485.0939 251.1479 -203473.9422 2427.9490 0.0000 0.0000 52231.3501 -109440.6598 300.1743 -161672.0099 -109074.2128 299.4599 -137.8176 -107.4113 760943.9447 7.6089 7.8131 PRESSURE: 2502800 49.7724 -98.6671 -46.6919 -98.6664 149.375 153.574 -46.692 153.573 -272.905 GPRESSURE: 2502800 -7.39265 -118.263 0.674774 2.56453 223.001 165.817 -11.1465 -36.4464 -205.898 PRESSAVG: 2502800 61.0628 -15.2978 20.1881 -15.2978 -47.9713 55.1957 20.1881 55.1957 2.65446 GPRESSAVG: 2502800 59.794 -15.3545 18.4192 -14.7057 -47.1046 55.375 21.353 53.2932 3.20659 TIMING: 2502800 CPU: 7985.32, 0.00313161/step Wall: 7985.32, 0.00313161/step, 2.17229 hours remaining, 233.628906 MB of memory in use. ENERGY: 2502800 4008.8958 20444.8204 14457.0023 259.7133 -203458.1496 2601.8735 0.0000 0.0000 52101.4152 -109584.4291 299.4275 -161685.8444 -109223.6779 299.3026 -24.5859 3.2365 760904.1655 5.2486 5.2986 PRESSURE: 2503000 -152.646 -226.11 -277.679 -226.111 -276.541 -57.873 -277.679 -57.8724 -191.572 GPRESSURE: 2503000 -111.986 -149.843 -198.461 -258.406 -246.46 -99.1924 -139.923 16.7674 -171.329 PRESSAVG: 2503000 103.533 -41.1868 -12.8944 -41.1868 -54.2649 -18.0266 -12.8944 -18.0266 3.37131 GPRESSAVG: 2503000 104.396 -41.3446 -10.8988 -42.6174 -54.7283 -19.2722 -12.5168 -15.4862 3.07597 TIMING: 2503000 CPU: 7985.94, 0.00313094/step Wall: 7985.94, 0.00313094/step, 2.17165 hours remaining, 233.628906 MB of memory in use. ENERGY: 2503000 4007.5114 20536.5642 14441.2037 246.6912 -203436.9250 2519.0171 0.0000 0.0000 51806.6775 -109879.2600 297.7337 -161685.9375 -109518.9907 298.1587 -206.9196 -176.5916 762368.5310 17.5464 17.5814 PRESSURE: 2503200 95.9241 -77.7189 -44.5372 -77.7191 -279.052 -196.845 -44.5377 -196.845 695.118 GPRESSURE: 2503200 68.3218 -5.1563 -114.067 -123.061 -139.113 -217.022 56.3327 -48.6227 678.132 PRESSAVG: 2503200 -6.60821 7.46416 -47.8508 7.46422 -15.7617 -34.285 -47.8509 -34.285 40.6307 GPRESSAVG: 2503200 -6.1828 6.58625 -51.3246 8.93858 -15.6283 -32.4945 -47.0724 -35.0976 39.7287 TIMING: 2503200 CPU: 7986.57, 0.00313399/step Wall: 7986.57, 0.00313399/step, 2.1736 hours remaining, 233.628906 MB of memory in use. ENERGY: 2503200 4022.3449 20595.2069 14509.9342 242.9334 -203932.1859 2725.4971 0.0000 0.0000 52047.5394 -109788.7300 299.1179 -161836.2694 -109431.5615 297.8542 170.6634 202.4471 759829.9780 6.0869 5.9726 PRESSURE: 2503400 153.884 58.9541 -32.4684 58.9535 121.84 141.999 -32.4683 141.999 76.0101 GPRESSURE: 2503400 234.153 59.2826 -108.799 104.684 140.247 177.899 -30.7966 -15.3201 42.9563 PRESSAVG: 2503400 84.025 -11.2528 -13.4163 -11.2527 -86.4669 -34.6007 -13.4164 -34.6008 1.84039 GPRESSAVG: 2503400 83.5396 -9.32311 -12.9279 -12.4756 -86.4882 -36.2124 -13.1148 -33.0403 1.65792 TIMING: 2503400 CPU: 7987.2, 0.00313556/step Wall: 7987.2, 0.00313556/step, 2.17451 hours remaining, 233.628906 MB of memory in use. ENERGY: 2503400 4006.1418 20449.1569 14447.1497 250.8548 -203850.7230 3021.4732 0.0000 0.0000 51977.6028 -109698.3438 298.7160 -161675.9465 -109341.7184 298.4360 117.2446 139.1188 761647.3616 -0.2005 -0.4302 PRESSURE: 2503600 -347.169 -174.652 98.26 -174.652 -177.327 -140.323 98.2589 -140.322 -306.799 GPRESSURE: 2503600 -222.908 -96.5425 129.078 -141.656 -285.576 -33.7413 91.139 -111.587 -255.609 PRESSAVG: 2503600 65.0505 2.2078 -51.3199 2.20772 -45.9664 21.9527 -51.3199 21.9527 8.37141 GPRESSAVG: 2503600 65.3974 1.31626 -49.8485 2.70334 -46.8884 22.9593 -52.0864 20.1986 9.12072 TIMING: 2503600 CPU: 7987.83, 0.00314745/step Wall: 7987.83, 0.00314745/step, 2.18258 hours remaining, 233.628906 MB of memory in use. ENERGY: 2503600 4072.6207 20538.0344 14495.0189 256.3336 -203211.2529 2373.6112 0.0000 0.0000 51844.0447 -109631.5894 297.9484 -161475.6341 -109276.3140 298.0138 -277.0985 -254.6975 763347.2076 9.1518 9.2099 PRESSURE: 2503800 -140.375 48.3997 44.7581 48.3999 -122.835 40.816 44.7588 40.8146 -326.836 GPRESSURE: 2503800 -42.2298 -123.777 -17.9304 79.6143 -198.12 107.319 135.116 32.344 -283.309 PRESSAVG: 2503800 -28.8147 -21.1534 3.86548 -21.1533 32.774 -0.925746 3.86558 -0.925715 4.17635 GPRESSAVG: 2503800 -29.1632 -21.5286 4.77757 -21.8501 32.1532 -1.08555 3.16205 -0.121023 5.42331 TIMING: 2503800 CPU: 7988.45, 0.00312519/step Wall: 7988.45, 0.00312519/step, 2.16697 hours remaining, 233.628906 MB of memory in use. ENERGY: 2503800 4091.9156 20619.1399 14470.6338 268.0712 -203641.6165 2486.0739 0.0000 0.0000 52155.8860 -109549.8961 299.7406 -161705.7821 -109189.3615 298.5054 -196.6822 -174.5528 761190.8645 2.7119 2.8044 PRESSURE: 2504000 333.304 21.4163 119.087 21.4149 157.094 141.082 119.087 141.082 -10.6704 GPRESSURE: 2504000 228.065 -31.0027 114.718 -53.687 277.296 80.4364 135.525 137.691 65.2313 PRESSAVG: 2504000 44.4617 -29.9173 -21.2878 -29.9173 -34.3554 -20.3187 -21.2878 -20.3187 8.72254 GPRESSAVG: 2504000 46.0226 -31.3257 -20.4485 -30.1448 -34.6464 -20.8455 -20.3956 -19.4604 7.51121 TIMING: 2504000 CPU: 7989.08, 0.00311808/step Wall: 7989.08, 0.00311808/step, 2.16187 hours remaining, 233.628906 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: 2504000 3945.8291 20482.1406 14517.3996 242.2380 -203588.5795 2517.5797 0.0000 0.0000 52168.0465 -109715.3460 299.8105 -161883.3925 -109353.6097 299.0154 159.9092 190.1976 758855.9729 6.2763 6.2958 PRESSURE: 2504200 373.307 -51.1495 47.88 -51.1496 -230.089 -59.4505 47.8794 -59.4496 251.92 GPRESSURE: 2504200 308.672 -18.8149 16.6677 -7.61599 -16.6152 -91.0784 178.049 -43.2999 195.798 PRESSAVG: 2504200 63.6757 -19.4818 -61.1725 -19.4819 -13.4845 -18.2269 -61.1725 -18.227 -4.73144 GPRESSAVG: 2504200 62.0149 -19.0169 -62.5039 -17.9294 -11.5291 -18.2301 -62.7011 -17.1461 -4.52069 TIMING: 2504200 CPU: 7989.7, 0.00313306/step Wall: 7989.7, 0.00313306/step, 2.17208 hours remaining, 233.628906 MB of memory in use. ENERGY: 2504200 3893.2197 20681.3948 14529.3120 252.6816 -203545.1398 2648.3310 0.0000 0.0000 51706.7265 -109833.4742 297.1593 -161540.2007 -109477.5380 298.6513 131.7124 162.6183 759831.7805 15.1533 15.3217 LDB: ============= START OF LOAD BALANCING ============== 8002.12 LDB: ============== END OF LOAD BALANCING =============== 8002.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8002.12 LDB: ============= START OF LOAD BALANCING ============== 8002.44 LDB: Largest compute 7031 load 0.035522 is 18.2% of average load 0.195465 LDB: Average compute 0.004377 is 2.2% of average load 0.195465 LDB: TIME 8002.44 LOAD: AVG 0.195465 MAX 0.219092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8002.44 LOAD: AVG 0.195465 MAX 0.219092 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: TIME 8002.44 LOAD: AVG 0.195465 MAX 0.21301 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: ============== END OF LOAD BALANCING =============== 8002.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8002.45 PRESSURE: 2504400 -81.2023 -136.615 96.4079 -136.616 -4.02054 25.1454 96.4067 25.1455 116.232 GPRESSURE: 2504400 -34.2316 -132.654 120.189 -192.608 55.5568 40.6244 74.9352 69.5786 103.357 PRESSAVG: 2504400 -7.28031 18.0525 -0.669733 18.0525 37.6166 2.52309 -0.669823 2.52317 18.1055 GPRESSAVG: 2504400 -6.07355 19.2386 -0.885518 18.0248 36.8791 0.833737 0.0664834 2.89749 18.4564 TIMING: 2504400 CPU: 7990.34, 0.00321175/step Wall: 7990.34, 0.00321175/step, 2.22646 hours remaining, 233.359375 MB of memory in use. ENERGY: 2504400 3914.4988 20558.1359 14468.9792 264.6265 -203418.3321 2447.3727 0.0000 0.0000 51974.1254 -109790.5935 298.6960 -161764.7189 -109422.6917 298.8444 10.3363 41.5608 760866.1845 16.1473 16.4206 PRESSURE: 2504600 32.7559 -90.5022 -226.661 -90.503 -217.549 36.9008 -226.661 36.8999 -169.873 GPRESSURE: 2504600 67.7986 -53.0802 -181.738 -114.619 -258.292 76.0908 -102.888 72.1278 -61.2738 PRESSAVG: 2504600 27.2475 -29.1926 22.0582 -29.1926 -6.64674 1.82038 22.0582 1.82039 -18.8493 GPRESSAVG: 2504600 27.8614 -30.3905 22.3514 -29.9672 -6.77402 3.28461 22.8689 -0.251115 -18.4077 TIMING: 2504600 CPU: 7990.97, 0.00313913/step Wall: 7990.97, 0.00313913/step, 2.17594 hours remaining, 233.359375 MB of memory in use. ENERGY: 2504600 4014.8625 20540.1149 14522.0889 256.3212 -203127.7776 2359.2631 0.0000 0.0000 51909.3281 -109525.7989 298.3236 -161435.1270 -109165.3036 298.8888 -118.2219 -83.9224 760455.6462 0.5838 0.8932 PRESSURE: 2504800 -204.391 -61.0568 -42.621 -61.0565 -85.3923 100.419 -42.6216 100.419 76.5478 GPRESSURE: 2504800 -72.6035 -96.8877 -23.7982 6.91544 -129.4 -25.1135 28.3415 105.613 70.8236 PRESSAVG: 2504800 80.9282 -76.7234 -4.37166 -76.7234 -89.6163 15.2512 -4.37168 15.2513 35.526 GPRESSAVG: 2504800 80.7585 -75.9178 -4.4518 -76.9257 -89.9824 16.0747 -3.74996 15.1547 35.6092 TIMING: 2504800 CPU: 7991.6, 0.00313142/step Wall: 7991.6, 0.00313142/step, 2.17042 hours remaining, 233.617188 MB of memory in use. ENERGY: 2504800 3987.2267 20524.8990 14530.7532 235.8505 -203367.3132 2612.4857 0.0000 0.0000 51966.3688 -109509.7293 298.6514 -161476.0981 -109160.1060 298.9217 -71.0784 -43.7268 760819.8113 8.9459 8.7951 PRESSURE: 2505000 121.994 36.7161 1.42857 36.7152 43.9034 155.335 1.42749 155.335 -308.335 GPRESSURE: 2505000 247.887 32.7741 -19.0902 53.4423 21.6838 108.677 -16.7603 63.356 -327.189 PRESSAVG: 2505000 -21.6621 -24.4165 -10.4639 -24.4166 29.0197 -17.026 -10.4639 -17.0259 0.0657213 GPRESSAVG: 2505000 -22.3556 -25.2436 -8.96777 -25.5013 29.4401 -17.1987 -14.1906 -16.6815 0.586793 TIMING: 2505000 CPU: 7992.22, 0.00313194/step Wall: 7992.22, 0.00313194/step, 2.17061 hours remaining, 233.652344 MB of memory in use. ENERGY: 2505000 4049.1344 20525.3835 14494.8020 263.8330 -203254.0018 2576.6715 0.0000 0.0000 51867.0032 -109477.1742 298.0804 -161344.1774 -109113.7734 298.7977 -47.4792 -19.2063 760787.6870 2.4744 2.5571 PRESSURE: 2505200 -81.3508 28.1055 57.2628 28.1061 -341.83 51.291 57.2637 51.2916 -146.513 GPRESSURE: 2505200 -58.3491 12.0992 48.7111 68.3561 -218.715 33.1334 -22.3387 96.9689 -204.746 PRESSAVG: 2505200 22.2063 -1.22062 -14.5236 -1.22068 -51.7021 -18.7471 -14.5236 -18.7471 -13.4947 GPRESSAVG: 2505200 22.7815 0.186562 -14.4735 -1.10102 -50.9076 -19.2339 -11.0343 -18.2514 -15.396 TIMING: 2505200 CPU: 7992.85, 0.00313493/step Wall: 7992.85, 0.00313493/step, 2.1725 hours remaining, 233.855469 MB of memory in use. ENERGY: 2505200 4007.4504 20504.1959 14464.1554 245.6816 -203289.4210 2522.2842 0.0000 0.0000 51997.6199 -109548.0335 298.8310 -161545.6533 -109199.3235 298.8765 -189.8979 -160.6033 760432.1127 -14.3302 -14.5074 PRESSURE: 2505400 -6.00798 108.828 159.453 108.828 -428.856 -180.572 159.452 -180.574 21.4036 GPRESSURE: 2505400 95.4083 196.004 186.905 157.661 -395.001 -134.887 105.221 -228.006 -36.9921 PRESSAVG: 2505400 5.4297 -23.4778 -8.94848 -23.4778 41.4102 -24.2922 -8.9484 -24.2922 35.8202 GPRESSAVG: 2505400 5.68217 -22.3639 -10.439 -23.4671 39.9364 -24.8241 -9.39253 -22.2454 36.7472 TIMING: 2505400 CPU: 7993.48, 0.003139/step Wall: 7993.48, 0.003139/step, 2.17516 hours remaining, 233.855469 MB of memory in use. ENERGY: 2505400 4064.7477 20476.5585 14574.7729 232.4424 -203067.3845 2215.0592 0.0000 0.0000 51950.2580 -109553.5459 298.5588 -161503.8039 -109201.9882 299.2139 -137.8203 -112.1948 759862.6522 27.5534 27.4552 PRESSURE: 2505600 -81.3309 -109.928 -39.2201 -109.928 236.459 50.8435 -39.2201 50.8431 181.386 GPRESSURE: 2505600 44.3887 -113.586 -43.9858 -108.406 203.057 93.2122 -70.8575 0.453928 192.785 PRESSAVG: 2505600 8.38963 -19.8845 13.1528 -19.8845 -20.5879 12.0797 13.1527 12.0797 3.78318 GPRESSAVG: 2505600 8.70762 -22.6498 12.2607 -18.579 -20.0744 12.2952 13.1894 9.4329 3.07602 TIMING: 2505600 CPU: 7994.1, 0.00312666/step Wall: 7994.1, 0.00312666/step, 2.16643 hours remaining, 233.855469 MB of memory in use. ENERGY: 2505600 3932.4269 20444.5817 14531.7212 256.9046 -203287.4939 2469.7821 0.0000 0.0000 51951.0691 -109701.0082 298.5635 -161652.0773 -109342.9859 298.9326 112.1715 146.7436 760786.8808 -2.8050 -2.7636 PRESSURE: 2505800 -5.47479 -194.403 23.9147 -194.402 319.314 -3.68851 23.915 -3.68816 156.995 GPRESSURE: 2505800 -22.2638 -166.48 78.9596 -109.291 424.347 -23.3993 -13.1553 28.1158 166.988 PRESSAVG: 2505800 13.2302 -52.2949 5.72516 -52.2949 -13.6311 17.7912 5.72515 17.7913 -15.3705 GPRESSAVG: 2505800 13.3112 -51.0957 6.80167 -52.4573 -13.914 18.8836 4.44692 17.9005 -15.3553 TIMING: 2505800 CPU: 7994.72, 0.00309806/step Wall: 7994.72, 0.00309806/step, 2.14644 hours remaining, 233.855469 MB of memory in use. ENERGY: 2505800 3996.6459 20529.8704 14509.4013 254.3185 -203249.5168 2439.1627 0.0000 0.0000 51879.3639 -109640.7541 298.1514 -161520.1180 -109283.0663 298.6017 156.9448 189.6902 761438.5932 -5.2571 -5.3194 PRESSURE: 2506000 62.0991 -1.90032 119.877 -1.90066 -310.529 53.0883 119.877 53.0887 -167.469 GPRESSURE: 2506000 43.1983 -82.59 156.699 -53.3153 -278.95 -45.7121 110.61 -17.1013 -118.349 PRESSAVG: 2506000 55.9124 -32.8112 -4.52377 -32.8112 -32.0833 -13.1467 -4.52381 -13.1467 27.9931 GPRESSAVG: 2506000 55.3054 -32.7426 -3.11763 -35.3056 -32.3817 -15.0077 -8.04094 -10.7266 28.685 TIMING: 2506000 CPU: 7995.35, 0.00310553/step Wall: 7995.35, 0.00310553/step, 2.15144 hours remaining, 233.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2506000 4019.2358 20381.5949 14474.1897 240.9452 -203221.1159 2500.0698 0.0000 0.0000 51968.8555 -109636.2251 298.6657 -161605.0806 -109275.0223 299.1724 -138.6331 -118.0334 761057.3028 17.2741 17.2029 PRESSURE: 2506200 102.312 -79.2077 -32.0382 -79.2086 -168.489 -81.4916 -32.0384 -81.4906 212.711 GPRESSURE: 2506200 78.5967 -196.097 -140.4 -55.5031 -54.8088 -122.956 -129.735 -69.3626 191.123 PRESSAVG: 2506200 7.84627 -34.3532 -37.6513 -34.3532 -52.7191 -1.19786 -37.6514 -1.19788 -14.021 GPRESSAVG: 2506200 6.67905 -36.0415 -38.6498 -31.3611 -51.2465 -0.332642 -34.241 -1.49294 -13.8114 TIMING: 2506200 CPU: 7995.97, 0.00311067/step Wall: 7995.97, 0.00311067/step, 2.15483 hours remaining, 233.855469 MB of memory in use. ENERGY: 2506200 3900.6889 20439.5274 14474.4934 241.7074 -202952.6468 2423.5659 0.0000 0.0000 51764.5539 -109708.1100 297.4916 -161472.6639 -109346.1134 298.1704 48.8445 71.6369 760600.5475 -19.6313 -19.4596 PRESSURE: 2506400 44.0882 159.258 107.73 159.257 -137.407 -105.455 107.731 -105.456 234.144 GPRESSURE: 2506400 73.094 188.426 123.235 124.729 -51.3575 -110.604 109.23 -119.42 217.041 PRESSAVG: 2506400 15.564 -39.1212 -52.9603 -39.1212 -19.0884 -8.29035 -52.9604 -8.29042 7.38795 GPRESSAVG: 2506400 16.5947 -38.5027 -54.3294 -37.7827 -19.2206 -6.9938 -52.8964 -10.4908 6.32326 TIMING: 2506400 CPU: 7996.59, 0.00313017/step Wall: 7996.59, 0.00313017/step, 2.16817 hours remaining, 233.855469 MB of memory in use. ENERGY: 2506400 3981.6038 20337.0192 14421.6261 234.3513 -203233.0160 2490.5231 0.0000 0.0000 52218.1269 -109549.7657 300.0983 -161767.8925 -109191.1379 298.6611 46.9419 79.5925 759997.0824 1.2878 1.2324 PRESSURE: 2506600 618.082 -45.6285 -179.234 -45.6286 229.214 -149.82 -179.234 -149.821 378.37 GPRESSURE: 2506600 614.554 -61.313 -84.0105 -110.494 344.078 -75.032 -138.304 -124.242 346.02 PRESSAVG: 2506600 59.4676 -27.0205 -9.18843 -27.0205 -75.6112 -9.65857 -9.18844 -9.6586 -13.6231 GPRESSAVG: 2506600 60.2601 -25.3915 -8.42067 -29.5588 -76.4433 -9.62545 -10.2249 -9.02113 -13.3452 TIMING: 2506600 CPU: 7997.22, 0.00312532/step Wall: 7997.22, 0.00312532/step, 2.16463 hours remaining, 233.855469 MB of memory in use. ENERGY: 2506600 3979.0566 20472.3937 14476.4817 262.4781 -203815.3585 2756.9726 0.0000 0.0000 52039.0253 -109828.9503 299.0690 -161867.9756 -109467.9574 298.7899 408.5551 434.8840 758319.6171 -9.9222 -9.8428 PRESSURE: 2506800 -65.931 46.8445 -173.861 46.844 259.398 95.3982 -173.862 95.3986 319.458 GPRESSURE: 2506800 -40.419 -8.30089 -246.409 73.7895 263.244 153.277 -116.548 -38.5022 393.603 PRESSAVG: 2506800 11.8983 -28.1069 46.2481 -28.1069 -15.7397 -11.1252 46.2482 -11.1252 1.04843 GPRESSAVG: 2506800 10.996 -31.2293 45.9906 -25.6869 -15.8223 -11.4959 48.2619 -10.7389 1.93581 TIMING: 2506800 CPU: 7997.84, 0.00312444/step Wall: 7997.84, 0.00312444/step, 2.16385 hours remaining, 233.855469 MB of memory in use. ENERGY: 2506800 3949.6497 20373.5994 14442.0961 254.5876 -203606.0763 2969.3681 0.0000 0.0000 51936.8657 -109679.9096 298.4819 -161616.7753 -109316.7419 298.8409 170.9749 205.4758 758999.7450 -0.9310 -0.9635 PRESSURE: 2507000 -235.625 -85.8653 -232.919 -85.865 -423.575 -157.397 -232.919 -157.398 -109.041 GPRESSURE: 2507000 -230.374 -72.9772 -186.491 4.43111 -384.365 -186.811 -209.623 -141.928 -68.6186 PRESSAVG: 2507000 26.1533 2.02263 -58.7866 2.0226 4.96239 16.1802 -58.7867 16.1802 -4.20013 GPRESSAVG: 2507000 26.7408 3.7641 -59.5538 3.64684 4.87617 15.8901 -59.4018 13.102 -4.73477 TIMING: 2507000 CPU: 7998.47, 0.00312104/step Wall: 7998.47, 0.00312104/step, 2.16132 hours remaining, 233.855469 MB of memory in use. ENERGY: 2507000 3911.2631 20479.5014 14482.2714 265.2169 -203265.9608 2405.5156 0.0000 0.0000 52148.2108 -109573.9816 299.6965 -161722.1924 -109206.0605 299.0651 -256.0803 -227.7860 760891.8177 8.9719 8.9607 PRESSURE: 2507200 573.7 -18.6496 3.45222 -18.6506 -85.1481 38.8938 3.45129 38.8941 -103.583 GPRESSURE: 2507200 580.071 -130.072 40.2453 -33.1309 1.02759 -63.0701 -71.3977 142.455 -114.823 PRESSAVG: 2507200 2.1129 -24.8396 -26.8696 -24.8396 -5.15596 -4.76493 -26.8696 -4.765 -0.311524 GPRESSAVG: 2507200 2.23106 -25.6105 -25.6676 -26.9772 -4.82881 -6.80838 -28.4473 -2.43282 -1.4455 TIMING: 2507200 CPU: 7999.09, 0.00311598/step Wall: 7999.09, 0.00311598/step, 2.15764 hours remaining, 233.855469 MB of memory in use. ENERGY: 2507200 3945.5527 20349.4673 14421.1233 242.8315 -203376.5684 2575.6473 0.0000 0.0000 52128.5512 -109713.3951 299.5835 -161841.9463 -109342.4281 299.3822 128.3232 155.4251 757988.5104 -1.1182 -1.3478 PRESSURE: 2507400 378.514 -28.3431 -241.55 -28.3435 330.152 -73.5782 -241.55 -73.578 331.546 GPRESSURE: 2507400 436.911 8.26618 -206.572 -37.0668 362.781 -39.5659 -178.893 -68.433 328.233 PRESSAVG: 2507400 -6.30276 -65.6446 36.3188 -65.6446 -7.52299 -70.262 36.3188 -70.2621 -17.4465 GPRESSAVG: 2507400 -6.85566 -64.283 35.2154 -66.6827 -6.90758 -68.6139 38.5543 -69.8145 -17.8099 TIMING: 2507400 CPU: 7999.71, 0.00311649/step Wall: 7999.71, 0.00311649/step, 2.15782 hours remaining, 233.855469 MB of memory in use. ENERGY: 2507400 4056.7520 20525.7826 14448.3201 243.7723 -203608.8924 2785.5212 0.0000 0.0000 51830.0986 -109718.6455 297.8683 -161548.7441 -109365.1712 299.0040 346.7375 375.9749 759047.3664 -10.4241 -10.5244 PRESSURE: 2507600 -1.50268 -130.907 131.073 -130.907 -186.124 -118.023 131.073 -118.023 -143.083 GPRESSURE: 2507600 44.3037 -222.516 152.424 -104.31 -100.972 -131.996 56.2151 -60.4685 -185.658 PRESSAVG: 2507600 12.9868 -55.3678 -3.89883 -55.3678 -45.4487 -0.34111 -3.89884 -0.34113 6.20102 GPRESSAVG: 2507600 12.8661 -55.6161 -5.2643 -54.2665 -45.7367 0.0593426 -5.25467 -0.540816 7.18145 TIMING: 2507600 CPU: 8000.34, 0.00313845/step Wall: 8000.34, 0.00313845/step, 2.17285 hours remaining, 233.855469 MB of memory in use. ENERGY: 2507600 3967.6058 20524.2180 14500.2138 264.2951 -203246.6643 2387.6366 0.0000 0.0000 51961.0692 -109641.6258 298.6210 -161602.6950 -109290.2685 298.4013 -110.2364 -80.7754 759607.0841 -8.7536 -8.5630 PRESSURE: 2507800 -83.8641 -53.8158 7.34325 -53.8151 -50.0319 39.5966 7.3435 39.5973 194.2 GPRESSURE: 2507800 74.4161 -110.692 -111.153 -25.9945 -36.7999 -47.5707 59.1305 8.24512 98.5497 PRESSAVG: 2507800 -27.5854 10.2676 -3.50168 10.2676 -8.70468 -55.0194 -3.50172 -55.0194 2.71806 GPRESSAVG: 2507800 -26.9912 11.0776 -1.7818 8.77341 -8.50601 -56.0559 -3.39524 -55.8598 1.85111 TIMING: 2507800 CPU: 8000.97, 0.00314368/step Wall: 8000.97, 0.00314368/step, 2.1763 hours remaining, 233.855469 MB of memory in use. ENERGY: 2507800 3934.3302 20422.5803 14504.3929 254.9766 -203532.2979 2565.7664 0.0000 0.0000 51867.5476 -109982.7039 298.0835 -161850.2515 -109617.1894 298.3280 20.1014 45.3887 759515.3788 -11.1907 -11.2154 PRESSURE: 2508000 364.081 33.0003 -128.228 33.0007 53.3649 41.9731 -128.228 41.9734 94.8074 GPRESSURE: 2508000 380.323 7.11882 -158.008 14.6815 129.011 41.7898 -93.664 81.0532 77.8437 PRESSAVG: 2508000 39.2351 -41.636 -10.2394 -41.636 -49.5301 31.5041 -10.2395 31.5041 1.35054 GPRESSAVG: 2508000 39.1961 -42.6808 -11.3557 -40.4441 -49.6112 33.0277 -9.73942 31.2699 2.30798 TIMING: 2508000 CPU: 8001.6, 0.00313982/step Wall: 8001.6, 0.00313982/step, 2.17346 hours remaining, 233.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2508000 4019.7374 20363.0239 14501.6045 273.2203 -203278.0459 2403.4160 0.0000 0.0000 51910.5861 -109806.4577 298.3309 -161717.0438 -109438.5116 297.9123 170.7510 195.7256 759764.4250 -2.9815 -2.7024 PRESSURE: 2508200 132.596 20.3148 -224.432 20.3148 -393.833 27.0614 -224.432 27.0616 126.404 GPRESSURE: 2508200 66.9731 49.1374 -231.691 189.747 -240.661 31.3496 -186.248 61.3327 118.175 PRESSAVG: 2508200 -12.9165 -37.292 -34.0019 -37.292 30.8405 6.14799 -34.0019 6.14799 -21.6461 GPRESSAVG: 2508200 -14.1135 -38.4398 -32.7723 -35.1959 30.9701 5.4514 -33.7422 4.82837 -20.5781 TIMING: 2508200 CPU: 8002.22, 0.00311186/step Wall: 8002.22, 0.00311186/step, 2.15392 hours remaining, 233.855469 MB of memory in use. ENERGY: 2508200 4001.6358 20526.3870 14437.2445 231.7314 -203565.7185 2522.8123 0.0000 0.0000 51819.2155 -110026.6921 297.8057 -161845.9075 -109667.9302 298.4665 -44.9445 -18.5042 760381.1510 -1.2407 -1.2405 LDB: ============= START OF LOAD BALANCING ============== 8014.64 LDB: ============== END OF LOAD BALANCING =============== 8014.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8014.64 LDB: ============= START OF LOAD BALANCING ============== 8014.95 LDB: Largest compute 7031 load 0.036678 is 18.8% of average load 0.195491 LDB: Average compute 0.004375 is 2.2% of average load 0.195491 LDB: TIME 8014.96 LOAD: AVG 0.195491 MAX 0.213123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 8014.96 LOAD: AVG 0.195491 MAX 0.213123 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.496 MB LDB: TIME 8014.96 LOAD: AVG 0.195491 MAX 0.213123 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.496 MB LDB: ============== END OF LOAD BALANCING =============== 8014.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8014.97 PRESSURE: 2508400 26.8985 34.2951 157.811 34.2944 157.5 -154.368 157.811 -154.368 -187.724 GPRESSURE: 2508400 102.386 -48.845 161.876 8.45619 112.805 -114.059 39.7849 -21.3569 -142.285 PRESSAVG: 2508400 2.8101 -22.3099 -19.7071 -22.3099 -28.9624 -4.28355 -19.7071 -4.2835 17.6599 GPRESSAVG: 2508400 3.9282 -22.2591 -19.8423 -23.7583 -29.7279 -5.62698 -21.6322 -1.18768 17.6737 TIMING: 2508400 CPU: 8002.86, 0.00319454/step Wall: 8002.86, 0.00319454/step, 2.21098 hours remaining, 234.156250 MB of memory in use. ENERGY: 2508400 3999.5053 20506.1950 14419.6400 248.5724 -204177.2223 2996.6379 0.0000 0.0000 51961.2058 -110045.4659 298.6218 -162006.6717 -109686.7411 297.9468 -1.1085 24.3022 760026.4932 -2.8308 -2.7087 PRESSURE: 2508600 -65.838 41.1349 -30.6807 41.1349 -215.43 59.1716 -30.6809 59.1711 -14.241 GPRESSURE: 2508600 -13.3439 -107.756 -44.8717 22.3841 -196.766 147.998 51.5505 -28.7156 7.21929 PRESSAVG: 2508600 58.3501 -36.9717 -13.4929 -36.9717 -44.5861 17.3556 -13.493 17.3556 3.85596 GPRESSAVG: 2508600 58.3645 -34.925 -12.3309 -38.8941 -44.544 17.9092 -12.0737 16.5152 3.51132 TIMING: 2508600 CPU: 8003.49, 0.00312702/step Wall: 8003.49, 0.00312702/step, 2.16407 hours remaining, 234.355469 MB of memory in use. ENERGY: 2508600 3982.7012 20455.0616 14491.5686 243.7481 -203373.6693 2249.5344 0.0000 0.0000 51839.9392 -110111.1162 297.9248 -161951.0554 -109750.2902 297.8546 -98.5031 -67.6301 761440.4955 5.8733 5.7773 PRESSURE: 2508800 -378.539 100.462 79.4014 100.461 -21.2997 103.695 79.4014 103.695 -169.47 GPRESSURE: 2508800 -340.078 50.901 63.7056 68.5506 -12.0275 35.3102 4.45865 80.9003 -124.986 PRESSAVG: 2508800 14.7443 -39.1902 17.7393 -39.1902 -15.5228 -16.3672 17.7394 -16.3672 9.99801 GPRESSAVG: 2508800 14.4599 -38.592 16.9748 -40.6494 -14.7343 -14.9834 17.5279 -16.7164 9.52938 TIMING: 2508800 CPU: 8004.11, 0.00311465/step Wall: 8004.11, 0.00311465/step, 2.15534 hours remaining, 234.355469 MB of memory in use. ENERGY: 2508800 3951.8707 20517.4726 14483.0267 244.8581 -203592.5150 2520.6293 0.0000 0.0000 51754.6772 -110119.9803 297.4348 -161874.6575 -109757.1160 296.8864 -189.7698 -159.0303 761679.5578 3.0731 3.0850 PRESSURE: 2509000 -88.9972 -31.1843 -221.03 -31.1838 115.211 -99.424 -221.029 -99.4253 -160.215 GPRESSURE: 2509000 42.8965 -102.515 -212.535 -45.6093 70.4035 -149.066 -21.2881 -14.3924 -167.566 PRESSAVG: 2509000 34.22 -66.426 5.76055 -66.426 -40.6346 -8.99829 5.76057 -8.99824 -7.54668 GPRESSAVG: 2509000 35.2169 -68.0871 6.85905 -64.5728 -41.9958 -9.7405 7.32704 -7.88561 -7.76254 TIMING: 2509000 CPU: 8004.73, 0.00311146/step Wall: 8004.73, 0.00311146/step, 2.15296 hours remaining, 234.355469 MB of memory in use. ENERGY: 2509000 4030.0496 20525.1679 14491.0270 239.4691 -203730.4647 2597.1903 0.0000 0.0000 51738.3897 -110109.1712 297.3412 -161847.5609 -109754.9629 297.5012 -44.6670 -18.0886 760536.1369 -4.6538 -4.8471 PRESSURE: 2509200 -187.547 -41.2909 94.5681 -41.2913 -174.725 -166.889 94.5687 -166.889 228.879 GPRESSURE: 2509200 -53.2484 -61.7577 94.6474 93.4669 -169.497 -170.274 29.6323 -146.346 184.981 PRESSAVG: 2509200 -8.0935 -29.7817 -20.1885 -29.7817 -2.12038 -79.163 -20.1885 -79.1631 1.31177 GPRESSAVG: 2509200 -8.20233 -29.8622 -21.1274 -29.4717 -2.06692 -79.9781 -21.2802 -79.7848 0.994033 TIMING: 2509200 CPU: 8005.35, 0.003108/step Wall: 8005.35, 0.003108/step, 2.15039 hours remaining, 234.355469 MB of memory in use. ENERGY: 2509200 3995.6132 20641.0024 14472.3487 242.2160 -203223.7745 2296.6319 0.0000 0.0000 51685.9551 -109890.0072 297.0399 -161575.9623 -109523.6588 297.9188 -44.4642 -12.5882 761314.9166 -2.9674 -3.0917 PRESSURE: 2509400 128.81 56.8923 33.5631 56.8917 -135.167 -200.448 33.5631 -200.448 316.223 GPRESSURE: 2509400 195.311 -64.8529 -18.6996 -53.8268 -59.9615 -219.706 85.6418 -190.234 249.651 PRESSAVG: 2509400 18.9082 41.5378 -12.3021 41.5378 -6.68213 -59.5005 -12.3022 -59.5005 9.02365 GPRESSAVG: 2509400 18.9069 42.0539 -12.5964 39.9494 -7.19697 -59.0851 -14.3038 -59.268 9.95665 TIMING: 2509400 CPU: 8005.98, 0.00312126/step Wall: 8005.98, 0.00312126/step, 2.15939 hours remaining, 234.355469 MB of memory in use. ENERGY: 2509400 3937.0877 20443.0158 14458.3786 242.4759 -203666.5711 2619.4113 0.0000 0.0000 52054.7148 -109911.4872 299.1592 -161966.2019 -109536.3419 298.1739 103.2889 128.3333 760729.8779 7.0832 7.2222 PRESSURE: 2509600 -135.959 153.677 -152.813 153.677 -188.303 -147.835 -152.812 -147.836 -328.045 GPRESSURE: 2509600 -153.993 159.625 -203.876 123.906 -201.381 -69.3823 32.6409 -110.263 -243.265 PRESSAVG: 2509600 40.1314 -10.5619 -20.9594 -10.5619 -51.9851 -41.3668 -20.9594 -41.3668 -17.0757 GPRESSAVG: 2509600 39.6145 -10.8367 -21.5066 -10.1522 -50.6522 -41.4587 -17.375 -39.1848 -18.3578 TIMING: 2509600 CPU: 8006.6, 0.00310069/step Wall: 8006.6, 0.00310069/step, 2.14499 hours remaining, 234.355469 MB of memory in use. ENERGY: 2509600 4020.7195 20710.4892 14503.6244 238.2815 -203616.4183 2572.4260 0.0000 0.0000 51960.9155 -109609.9623 298.6201 -161570.8778 -109256.7070 298.3004 -217.4353 -199.5462 761110.8832 -9.6431 -9.7985 PRESSURE: 2509800 26.6636 -68.4819 82.4394 -68.4822 388.241 360.361 82.4395 360.361 -126.931 GPRESSURE: 2509800 146.72 -106.946 116.665 -136.41 338.622 371.707 81.1003 177.745 -91.1401 PRESSAVG: 2509800 -0.696692 -27.7394 -24.4589 -27.7394 3.2406 10.4193 -24.4589 10.4193 5.20604 GPRESSAVG: 2509800 -1.24793 -27.1061 -24.6522 -26.4229 2.7465 10.1801 -23.0243 9.08452 6.91308 TIMING: 2509800 CPU: 8007.22, 0.00309671/step Wall: 8007.22, 0.00309671/step, 2.14207 hours remaining, 234.355469 MB of memory in use. ENERGY: 2509800 4001.0167 20573.2141 14498.3058 239.5543 -203669.1296 2872.1169 0.0000 0.0000 51955.5990 -109529.3228 298.5895 -161484.9218 -109167.6519 298.7020 95.9910 131.4009 760104.8238 2.5833 2.8039 PRESSURE: 2510000 35.9863 39.9823 173.014 39.9819 163.517 -159.274 173.013 -159.274 255.759 GPRESSURE: 2510000 214.011 20.4519 191.455 -38.5092 137.63 -167.588 175.222 -140.068 195.758 PRESSAVG: 2510000 9.99727 -28.6045 -20.0609 -28.6045 -22.0127 -24.6386 -20.0609 -24.6386 4.41331 GPRESSAVG: 2510000 10.7876 -27.8353 -19.9362 -29.4257 -21.9178 -23.7517 -22.8858 -25.734 3.61938 TIMING: 2510000 CPU: 8007.84, 0.00313058/step Wall: 8007.84, 0.00313058/step, 2.16531 hours remaining, 234.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2510000 3933.0681 20515.7557 14515.3471 240.2254 -203616.6524 2644.8420 0.0000 0.0000 52374.6023 -109392.8116 300.9976 -161767.4140 -109012.5975 299.2528 151.7542 182.4661 759864.3214 -2.5340 -2.5036 PRESSURE: 2510200 -446.3 -7.09184 -138.409 -7.09166 -97.7754 -54.7837 -138.409 -54.7838 146.538 GPRESSURE: 2510200 -452.983 -149.488 -134.057 -59.5961 14.4555 -47.7638 -104.169 -111.757 111.663 PRESSAVG: 2510200 32.073 9.06225 -16.3871 9.06227 -25.5752 -16.1594 -16.3871 -16.1594 27.0546 GPRESSAVG: 2510200 31.4357 9.83464 -16.0305 9.09209 -25.5706 -15.8708 -15.4177 -16.2695 27.0277 TIMING: 2510200 CPU: 8008.47, 0.0031295/step Wall: 8008.47, 0.0031295/step, 2.1644 hours remaining, 234.355469 MB of memory in use. ENERGY: 2510200 3921.5664 20698.2546 14546.9382 220.1568 -203278.0807 2417.4009 0.0000 0.0000 52129.0457 -109344.7179 299.5863 -161473.7637 -108977.0555 299.1955 -132.5125 -108.9548 759537.1187 11.1842 10.9643 PRESSURE: 2510400 111.422 -11.1089 116.675 -11.1092 269.114 -60.1818 116.675 -60.182 435.087 GPRESSURE: 2510400 105.089 -64.384 157.559 -48.9694 316.162 -60.8333 127.036 -109.758 486.733 PRESSAVG: 2510400 37.2346 -1.97953 -1.07405 -1.97958 -41.1255 -6.087 -1.074 -6.08691 18.76 GPRESSAVG: 2510400 36.6993 -4.3961 -0.323449 -2.22214 -41.2469 -7.48455 0.689703 -8.15275 19.0083 TIMING: 2510400 CPU: 8009.09, 0.00313106/step Wall: 8009.09, 0.00313106/step, 2.1653 hours remaining, 234.355469 MB of memory in use. ENERGY: 2510400 3982.3319 20388.7061 14566.9096 256.5552 -203742.9794 2916.8155 0.0000 0.0000 52276.1350 -109355.5259 300.4317 -161631.6610 -108983.2592 299.2786 271.8741 302.6615 759490.9469 4.9563 4.8203 PRESSURE: 2510600 -260.618 -404.211 209.939 -404.212 -117.482 72.6727 209.94 72.673 278.007 GPRESSURE: 2510600 -180.512 -265.404 179.35 -288.793 -125.049 37.6196 154.184 155.42 274.371 PRESSAVG: 2510600 66.7075 -20.4424 -38.4652 -20.4424 -82.132 -10.0689 -38.4652 -10.069 17.2822 GPRESSAVG: 2510600 66.6095 -19.2944 -40.0196 -20.6217 -82.4578 -10.4371 -41.1364 -9.55182 17.5044 TIMING: 2510600 CPU: 8009.72, 0.00312862/step Wall: 8009.72, 0.00312862/step, 2.16344 hours remaining, 234.355469 MB of memory in use. ENERGY: 2510600 3899.2997 20523.7841 14557.2245 254.2458 -203573.2177 2688.1288 0.0000 0.0000 52360.3636 -109290.1713 300.9157 -161650.5349 -108923.1766 299.4559 -33.3643 -10.3964 762048.2405 0.6192 0.5520 PRESSURE: 2510800 21.9835 -126.109 -285.486 -126.109 262.699 18.8415 -285.485 18.8412 -159.307 GPRESSURE: 2510800 39.7979 -110.112 -249.387 -87.3401 290.709 -8.49165 -80.8398 71.9582 -128.45 PRESSAVG: 2510800 33.7988 -13.9144 -14.1716 -13.9144 -43.8163 11.3967 -14.1715 11.3966 -10.4727 GPRESSAVG: 2510800 34.0152 -12.3882 -14.6833 -11.2702 -44.0631 11.7377 -13.5819 14.3444 -10.6213 TIMING: 2510800 CPU: 8010.35, 0.00313629/step Wall: 8010.35, 0.00313629/step, 2.16857 hours remaining, 234.355469 MB of memory in use. ENERGY: 2510800 4001.4809 20564.2315 14498.0130 240.5509 -203315.8925 2456.0223 0.0000 0.0000 52423.2000 -109132.3940 301.2769 -161555.5939 -108766.2889 299.5751 41.7917 67.3522 761571.5949 -6.8301 -6.8897 PRESSURE: 2511000 100.226 -141.396 -85.2922 -141.396 -118.472 123.416 -85.2921 123.416 19.9882 GPRESSURE: 2511000 53.7323 -148.102 27.9077 -187.871 -21.9162 108.953 -75.1526 71.4703 58.9705 PRESSAVG: 2511000 40.2311 19.1258 -16.004 19.1257 -31.0636 15.2234 -16.0041 15.2234 13.446 GPRESSAVG: 2511000 40.3513 17.2221 -13.4036 18.8861 -30.6342 16.2437 -17.731 14.1397 12.754 TIMING: 2511000 CPU: 8010.97, 0.00311964/step Wall: 8010.97, 0.00311964/step, 2.15688 hours remaining, 234.355469 MB of memory in use. ENERGY: 2511000 3944.0491 20481.5382 14552.9938 252.1867 -203048.6151 2436.0234 0.0000 0.0000 52122.9785 -109258.8454 299.5515 -161381.8239 -108896.6095 300.3418 0.5805 30.2622 762124.7494 7.5378 7.4903 PRESSURE: 2511200 -59.5772 -86.5459 -284.66 -86.5463 29.2284 24.0384 -284.661 24.0381 138.879 GPRESSURE: 2511200 22.5879 -183.46 -309.949 -105.719 41.3105 59.4448 -227.362 -22.4966 136.556 PRESSAVG: 2511200 52.6232 -29.5772 20.6616 -29.5771 -49.6936 10.0019 20.6617 10.0018 0.204871 GPRESSAVG: 2511200 52.1736 -29.2421 19.0434 -30.4726 -50.037 10.8092 22.769 10.665 0.611528 TIMING: 2511200 CPU: 8011.6, 0.0031249/step Wall: 8011.6, 0.0031249/step, 2.16034 hours remaining, 234.355469 MB of memory in use. ENERGY: 2511200 4028.3673 20463.4824 14481.6817 248.2793 -203041.4663 2547.2771 0.0000 0.0000 51967.3876 -109304.9908 298.6573 -161272.3785 -108948.8080 299.4821 36.1766 66.8182 761995.0049 1.0448 0.9160 PRESSURE: 2511400 -165.717 -221.025 -309.177 -221.025 -182.794 104.293 -309.177 104.294 -276.816 GPRESSURE: 2511400 -106.402 -88.5671 -337.132 -219.212 -140.93 44.589 -322.759 115.407 -291.207 PRESSAVG: 2511400 39.9292 -41.7583 -49.3542 -41.7582 -22.9051 -7.45634 -49.3542 -7.45633 0.234507 GPRESSAVG: 2511400 40.2134 -41.9047 -48.6631 -42.2931 -24.0543 -8.07004 -49.7844 -9.0481 1.29526 TIMING: 2511400 CPU: 8012.22, 0.00313361/step Wall: 8012.22, 0.00313361/step, 2.16619 hours remaining, 234.355469 MB of memory in use. ENERGY: 2511400 4019.4076 20536.0319 14531.0244 248.8793 -203317.3181 2449.4113 0.0000 0.0000 52071.0031 -109461.5603 299.2528 -161532.5634 -109103.3620 299.6679 -208.4424 -179.5131 760442.7193 5.7529 5.8181 PRESSURE: 2511600 -213.311 86.5027 16.2807 86.5029 -32.0415 17.2083 16.2803 17.209 54.0893 GPRESSURE: 2511600 -87.1371 9.96858 138.742 144.992 -73.7426 29.834 59.5103 28.8866 66.0409 PRESSAVG: 2511600 9.77631 -58.1286 -32.8303 -58.1286 -47.8405 -29.2586 -32.8303 -29.2586 -15.8141 GPRESSAVG: 2511600 9.01936 -60.6559 -31.6821 -57.7036 -45.6126 -29.2911 -34.8507 -29.2149 -16.7825 TIMING: 2511600 CPU: 8012.84, 0.00309987/step Wall: 8012.84, 0.00309987/step, 2.1427 hours remaining, 234.355469 MB of memory in use. ENERGY: 2511600 3934.0310 20481.1841 14533.6149 244.4602 -203494.8599 2642.7126 0.0000 0.0000 51994.9763 -109663.8807 298.8158 -161658.8570 -109307.3914 298.5552 -63.7542 -31.6129 760839.4883 -17.9594 -17.7919 PRESSURE: 2511800 -307.509 64.8476 -86.1709 64.8478 -81.5182 -114.579 -86.1711 -114.58 -16.0199 GPRESSURE: 2511800 -267.079 162.949 -120.116 6.38371 -113.626 -95.6083 36.8718 -56.7342 44.5818 PRESSAVG: 2511800 53.8947 -8.71059 -15.6751 -8.71064 -59.0707 -9.17414 -15.6751 -9.17414 5.2519 GPRESSAVG: 2511800 54.0909 -5.2886 -18.2647 -7.53316 -59.7618 -8.85382 -13.0827 -8.02016 5.92163 TIMING: 2511800 CPU: 8013.47, 0.00312981/step Wall: 8013.47, 0.00312981/step, 2.16322 hours remaining, 234.355469 MB of memory in use. ENERGY: 2511800 4029.8308 20604.9963 14460.8861 240.5386 -203355.6257 2648.0875 0.0000 0.0000 51952.6711 -109418.6152 298.5727 -161371.2863 -109067.7282 298.5687 -135.0158 -112.0410 761248.1218 0.0253 0.0836 PRESSURE: 2512000 -92.9872 91.5797 237.048 91.58 179.816 115.048 237.048 115.048 -7.90288 GPRESSURE: 2512000 -56.1483 18.2079 133.998 -9.95945 252.345 112.294 124.791 102.187 -44.6563 PRESSAVG: 2512000 66.9943 -5.36766 -36.0397 -5.36766 -65.5409 -52.0904 -36.0397 -52.0904 15.1564 GPRESSAVG: 2512000 66.7974 -6.97495 -35.8219 -6.03197 -64.9195 -52.1103 -37.8523 -51.5825 14.7463 TIMING: 2512000 CPU: 8014.09, 0.0031076/step Wall: 8014.09, 0.0031076/step, 2.14769 hours remaining, 234.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2512000 3977.0683 20494.9521 14492.9023 238.7891 -203787.8010 2817.5675 0.0000 0.0000 52237.7848 -109528.7369 300.2113 -161766.5217 -109168.6176 299.5012 26.3088 50.5136 759520.4775 5.5366 5.5414 PRESSURE: 2512200 -197.906 -0.531156 -70.2675 -0.530775 -112.362 -251.278 -70.2676 -251.28 -228.169 GPRESSURE: 2512200 -139.418 31.7599 -62.0903 -22.3422 -77.7823 -226.746 -37.4256 -143.699 -260.957 PRESSAVG: 2512200 66.5839 -37.0199 -12.7761 -37.0199 -25.6752 -34.0973 -12.7762 -34.0973 35.3153 GPRESSAVG: 2512200 65.9571 -37.181 -11.6864 -37.9427 -26.0739 -34.7369 -13.0337 -34.2603 36.0562 TIMING: 2512200 CPU: 8014.71, 0.00312177/step Wall: 8014.71, 0.00312177/step, 2.15731 hours remaining, 234.355469 MB of memory in use. ENERGY: 2512200 4021.5727 20555.6380 14565.1477 227.4126 -203086.9134 2543.7159 0.0000 0.0000 51917.5276 -109255.8989 298.3707 -161173.4265 -108902.6112 299.3559 -179.4790 -159.3856 762817.5405 25.4080 25.3132 LDB: ============= START OF LOAD BALANCING ============== 8027.13 LDB: ============== END OF LOAD BALANCING =============== 8027.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8027.13 LDB: ============= START OF LOAD BALANCING ============== 8027.45 LDB: Largest compute 7031 load 0.033918 is 17.4% of average load 0.195485 LDB: Average compute 0.004380 is 2.2% of average load 0.195485 LDB: TIME 8027.45 LOAD: AVG 0.195485 MAX 0.214739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.32 MB LDB: TIME 8027.45 LOAD: AVG 0.195485 MAX 0.214739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: TIME 8027.45 LOAD: AVG 0.195485 MAX 0.214739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: ============== END OF LOAD BALANCING =============== 8027.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8027.46 PRESSURE: 2512400 -150.458 20.0974 -80.5307 20.0984 -232.067 113.718 -80.5305 113.718 358.054 GPRESSURE: 2512400 -141.385 178.652 -164.643 -50.8592 -181.803 102.707 101.878 47.9275 368.631 PRESSAVG: 2512400 -7.64434 -19.0717 -25.1291 -19.0717 -17.7047 -37.5164 -25.1291 -37.5164 -17.6416 GPRESSAVG: 2512400 -7.93604 -17.2423 -25.643 -19.9998 -18.1115 -36.3903 -23.2499 -38.8359 -17.8652 TIMING: 2512400 CPU: 8015.35, 0.0031897/step Wall: 8015.35, 0.0031897/step, 2.20408 hours remaining, 234.003906 MB of memory in use. ENERGY: 2512400 3986.9842 20609.4770 14539.1745 256.0687 -202557.0387 2227.0508 0.0000 0.0000 51607.3302 -109330.9535 296.5880 -160938.2836 -108975.2728 299.5916 -8.1572 15.1477 763247.2383 -14.3302 -14.6376 PRESSURE: 2512600 141.928 7.07124 -155.906 7.071 26.58 -4.56477 -155.906 -4.56441 150.981 GPRESSURE: 2512600 167.484 39.8978 -136.591 11.819 140.306 29.0024 -161.48 29.7994 105.671 PRESSAVG: 2512600 38.8741 -19.5071 -25.5558 -19.5071 -51.8699 -35.8795 -25.5558 -35.8794 11.6768 GPRESSAVG: 2512600 39.1413 -19.903 -25.0637 -16.9952 -52.0438 -36.351 -26.629 -37.1899 11.6323 TIMING: 2512600 CPU: 8015.98, 0.00312221/step Wall: 8015.98, 0.00312221/step, 2.15727 hours remaining, 234.003906 MB of memory in use. ENERGY: 2512600 3990.2754 20507.5856 14470.8506 254.6179 -203419.5940 2770.5689 0.0000 0.0000 52088.8975 -109336.7980 299.3556 -161425.6955 -108976.6173 299.2553 106.4964 137.8202 759968.9258 -0.4397 -0.4234 PRESSURE: 2512800 -175.538 -23.8735 233.285 -23.8731 74.3847 -23.0828 233.284 -23.0832 -367.452 GPRESSURE: 2512800 -136.725 -190.278 204.518 -83.5466 28.3993 -133.362 67.1728 -109.914 -280.965 PRESSAVG: 2512800 45.2609 -19.566 35.9213 -19.566 -29.8063 -38.2245 35.9213 -38.2246 -2.1902 GPRESSAVG: 2512800 45.9286 -22.7075 36.2119 -22.5215 -29.4139 -37.9506 34.3186 -38.1949 -3.13793 TIMING: 2512800 CPU: 8016.6, 0.0031211/step Wall: 8016.6, 0.0031211/step, 2.15633 hours remaining, 234.003906 MB of memory in use. ENERGY: 2512800 3944.9191 20553.4811 14479.1399 258.9013 -203344.3140 2710.0663 0.0000 0.0000 52074.0622 -109323.7440 299.2704 -161397.8063 -108974.1026 299.5305 -156.2018 -129.7636 760334.2939 4.4214 4.4589 PRESSURE: 2513000 -262.894 -110.327 -2.21907 -110.326 -439.9 -101.24 -2.21942 -101.24 117.285 GPRESSURE: 2513000 -171.924 22.8146 -74.106 -54.4359 -402.313 -102.437 209.226 -86.2883 64.2258 PRESSAVG: 2513000 27.8057 -76.9729 22.5254 -76.9728 3.88292 -16.6202 22.5253 -16.6202 -0.52187 GPRESSAVG: 2513000 26.6562 -74.1627 21.7444 -75.0774 3.64569 -16.8345 22.7513 -12.6197 0.686562 TIMING: 2513000 CPU: 8017.22, 0.00309163/step Wall: 8017.22, 0.00309163/step, 2.1358 hours remaining, 234.003906 MB of memory in use. ENERGY: 2513000 4053.4833 20490.6160 14495.9113 252.1527 -203036.2962 2531.8805 0.0000 0.0000 51953.7203 -109258.5321 298.5787 -161212.2525 -108896.1770 299.5268 -195.1694 -170.0040 761598.5054 10.3889 10.3295 PRESSURE: 2513200 -233.556 61.8297 -217.904 61.8294 -138.948 -49.0584 -217.903 -49.0586 -239.864 GPRESSURE: 2513200 -174.474 60.2537 -298.315 133.001 -107.718 -83.8062 -331.368 -65.0347 -231.114 PRESSAVG: 2513200 41.7016 -53.799 -31.556 -53.799 -13.2067 7.46346 -31.5561 7.46339 4.24565 GPRESSAVG: 2513200 42.8324 -53.2405 -30.0892 -55.0039 -13.3694 7.90131 -30.3315 5.197 3.33301 TIMING: 2513200 CPU: 8017.85, 0.00313913/step Wall: 8017.85, 0.00313913/step, 2.16844 hours remaining, 234.003906 MB of memory in use. ENERGY: 2513200 3991.5620 20427.0740 14575.6140 253.6645 -203042.8010 2623.0650 0.0000 0.0000 52007.2343 -109164.5872 298.8863 -161171.8215 -108798.8022 299.1959 -204.1226 -171.1019 762622.7567 10.9135 10.9320 PRESSURE: 2513400 75.213 60.4384 24.2758 60.4385 195.337 -76.575 24.2761 -76.5749 -291.444 GPRESSURE: 2513400 166.552 38.3312 -34.2541 -134.844 182.333 -76.0935 -85.8906 -44.0176 -270.396 PRESSAVG: 2513400 -0.215081 -49.4764 12.6818 -49.4764 11.9837 -53.9713 12.6819 -53.9713 14.7284 GPRESSAVG: 2513400 -0.230459 -51.9539 12.2019 -49.1611 11.0399 -54.3182 12.5311 -54.3364 15.6172 TIMING: 2513400 CPU: 8018.47, 0.00312641/step Wall: 8018.47, 0.00312641/step, 2.15948 hours remaining, 234.003906 MB of memory in use. ENERGY: 2513400 3969.6469 20446.8608 14521.3613 260.0817 -202999.7758 2587.0561 0.0000 0.0000 52021.4657 -109193.3033 298.9681 -161214.7690 -108822.2563 299.3538 -6.9646 26.1629 763503.9080 8.8323 8.8089 PRESSURE: 2513600 31.2795 51.8477 -63.9749 51.8466 -6.16042 -74.2973 -63.9749 -74.2969 269.296 GPRESSURE: 2513600 -18.3539 -64.0098 -122.754 36.9489 160.151 10.3199 -17.3876 -163.544 248.501 PRESSAVG: 2513600 -5.45684 -33.8362 -11.3702 -33.8362 -35.0193 9.06256 -11.3702 9.06252 -4.86349 GPRESSAVG: 2513600 -6.03336 -31.5676 -12.4249 -34.7903 -33.8079 9.38063 -12.1188 9.14121 -5.52042 TIMING: 2513600 CPU: 8019.1, 0.00313049/step Wall: 8019.1, 0.00313049/step, 2.16212 hours remaining, 234.003906 MB of memory in use. ENERGY: 2513600 3905.9780 20482.5245 14555.8811 260.1946 -203136.5256 2701.7333 0.0000 0.0000 51896.8163 -109333.3980 298.2517 -161230.2142 -108968.1173 299.0030 98.1384 130.0991 762450.3106 -15.1132 -15.1206 PRESSURE: 2513800 -318.336 -280.417 53.2235 -280.418 23.1556 92.7814 53.2232 92.7816 344.59 GPRESSURE: 2513800 -202.401 -108.435 -64.231 -180.886 -1.13615 57.2191 -39.8107 50.9211 337.077 PRESSAVG: 2513800 50.5849 -73.6735 -19.1239 -73.6735 -64.4141 -1.76745 -19.1238 -1.76745 -4.79048 GPRESSAVG: 2513800 50.2866 -73.5819 -18.363 -70.9439 -63.5921 -2.79055 -19.4026 -3.25622 -5.10242 TIMING: 2513800 CPU: 8019.72, 0.00313124/step Wall: 8019.72, 0.00313124/step, 2.16247 hours remaining, 234.003906 MB of memory in use. ENERGY: 2513800 3914.6385 20561.2593 14500.8045 242.8423 -202791.2518 2268.4147 0.0000 0.0000 51892.8280 -109410.4647 298.2288 -161303.2926 -109051.1860 298.7677 16.4700 44.5131 763793.4277 -6.2066 -6.1360 PRESSURE: 2514000 368.664 286.635 -95.5913 286.635 -32.3016 42.983 -95.5913 42.9826 66.511 GPRESSURE: 2514000 471.428 164.353 -63.458 151.892 -17.4457 119.688 -106 138.59 27.8621 PRESSAVG: 2514000 34.1402 -28.9884 -26.8589 -28.9884 -16.0142 46.9228 -26.8589 46.9229 1.80142 GPRESSAVG: 2514000 33.8136 -32.2019 -27.9192 -29.3136 -17.2583 46.6697 -27.2179 49.7647 2.96184 TIMING: 2514000 CPU: 8020.35, 0.00313476/step Wall: 8020.35, 0.00313476/step, 2.16473 hours remaining, 234.003906 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: 2514000 3941.3841 20636.0340 14491.5108 262.7180 -202933.8052 2409.2423 0.0000 0.0000 51926.6354 -109266.2806 298.4231 -161192.9161 -108909.5005 298.9028 134.2911 160.6146 760939.1247 6.6425 6.5057 PRESSURE: 2514200 240.559 48.984 89.5034 48.9835 -77.2498 -119.249 89.5033 -119.249 116.575 GPRESSURE: 2514200 173.554 45.9796 68.8844 -1.02347 23.9902 -52.6049 157.489 -111.62 182.015 PRESSAVG: 2514200 23.4069 -23.3561 -43.3144 -23.356 4.77248 -9.55247 -43.3145 -9.55242 -3.30292 GPRESSAVG: 2514200 24.1623 -21.9588 -43.2761 -25.0853 3.85267 -9.13358 -42.573 -9.67719 -3.66934 TIMING: 2514200 CPU: 8020.98, 0.0031379/step Wall: 8020.98, 0.0031379/step, 2.16672 hours remaining, 234.261719 MB of memory in use. ENERGY: 2514200 3964.3910 20416.4485 14494.8376 234.2875 -203182.1753 2418.6903 0.0000 0.0000 52191.0730 -109462.4473 299.9428 -161653.5203 -109100.1733 299.2995 93.2948 126.5197 760408.3022 8.2921 8.1152 PRESSURE: 2514400 -14.1291 -122.641 -0.0385844 -122.641 -201.457 188.437 -0.03863 188.437 -62.6082 GPRESSURE: 2514400 103.578 -106.835 -29.1258 -27.8599 -199.025 161.132 63.2527 155.397 -84.0014 PRESSAVG: 2514400 13.4571 8.38266 -17.771 8.38266 18.2562 -8.99449 -17.771 -8.99455 -25.8418 GPRESSAVG: 2514400 13.4224 7.61686 -17.266 10.1916 18.9404 -10.1472 -17.6536 -7.92986 -26.6181 TIMING: 2514400 CPU: 8021.6, 0.00312241/step Wall: 8021.6, 0.00312241/step, 2.15585 hours remaining, 234.261719 MB of memory in use. ENERGY: 2514400 3984.4832 20375.1473 14506.6947 241.4668 -203404.5506 2566.7284 0.0000 0.0000 52173.7526 -109556.2777 299.8433 -161730.0303 -109198.0411 298.5092 -92.7315 -59.8160 759855.1203 1.9572 1.9149 PRESSURE: 2514600 -230.055 -68.5222 115.326 -68.522 -154.796 21.1149 115.326 21.1141 -22.249 GPRESSURE: 2514600 -182.791 35.923 27.4365 -21.4798 -116.238 89.3575 35.3348 92.9663 -14.0743 PRESSAVG: 2514600 41.3393 -4.10625 22.6481 -4.10627 -41.0818 23.7989 22.6481 23.7989 2.18799 GPRESSAVG: 2514600 42.4162 -4.6028 23.0417 -4.67615 -41.6654 23.4846 20.705 23.6459 1.70057 TIMING: 2514600 CPU: 8022.23, 0.0031234/step Wall: 8022.23, 0.0031234/step, 2.15636 hours remaining, 234.261719 MB of memory in use. ENERGY: 2514600 4017.6331 20423.6550 14614.1998 233.6278 -202809.5737 2275.7834 0.0000 0.0000 51951.1089 -109293.5656 298.5637 -161244.6745 -108933.2811 299.2104 -135.7001 -104.3678 761168.5566 0.8151 0.8171 PRESSURE: 2514800 290.957 40.8597 61.3359 40.8585 69.2724 198.884 61.3354 198.885 -87.3927 GPRESSURE: 2514800 337.222 3.12457 62.7065 78.4801 155.602 273.871 173.275 168.33 -127.966 PRESSAVG: 2514800 -6.41667 7.94973 -7.42184 7.94971 10.4237 32.4772 -7.42182 32.4771 29.7359 GPRESSAVG: 2514800 -6.75926 10.4816 -8.52252 8.47925 11.3056 32.6002 -4.25254 33.6303 29.5374 TIMING: 2514800 CPU: 8022.85, 0.0031062/step Wall: 8022.85, 0.0031062/step, 2.14431 hours remaining, 234.261719 MB of memory in use. ENERGY: 2514800 4055.1611 20546.9129 14512.8598 250.0402 -203578.9831 2742.3931 0.0000 0.0000 52029.7503 -109441.8657 299.0157 -161471.6160 -109080.6936 299.5624 90.9455 121.6195 759739.9162 11.2476 11.3612 PRESSURE: 2515000 -133.967 5.68664 62.8805 5.68678 -75.2989 -40.747 62.8805 -40.7475 363.548 GPRESSURE: 2515000 -76.839 61.1695 170.285 -118.366 -33.1131 8.56427 -45.1067 -38.7879 366.847 PRESSAVG: 2515000 101.618 -43.6024 -46.6096 -43.6023 -67.1507 41.2225 -46.6097 41.2226 -11.3494 GPRESSAVG: 2515000 100.558 -43.5155 -47.1853 -44.027 -65.8178 41.0961 -48.2276 39.1615 -10.9424 TIMING: 2515000 CPU: 8023.47, 0.00311123/step Wall: 8023.47, 0.00311123/step, 2.14761 hours remaining, 234.261719 MB of memory in use. ENERGY: 2515000 3973.1703 20587.5180 14521.3476 244.1628 -203368.3183 2666.9385 0.0000 0.0000 51784.4974 -109590.6838 297.6062 -161375.1812 -109242.8392 298.8256 51.4275 85.6318 759046.7945 7.7059 7.9325 PRESSURE: 2515200 198.574 -15.7596 -21.4897 -15.7603 -144.544 51.4807 -21.4896 51.481 -75.1265 GPRESSURE: 2515200 200.661 45.198 -128.725 10.824 -68.323 41.3048 73.5798 157.101 -85.377 PRESSAVG: 2515200 52.7722 -15.1372 40.3066 -15.1372 -64.3602 56.7807 40.3066 56.7807 -28.4274 GPRESSAVG: 2515200 52.0823 -15.4961 41.7241 -16.2527 -64.0652 58.4561 39.6998 56.8143 -28.0507 TIMING: 2515200 CPU: 8024.1, 0.00312626/step Wall: 8024.1, 0.00312626/step, 2.15782 hours remaining, 234.261719 MB of memory in use. ENERGY: 2515200 3926.6361 20498.7599 14499.5091 241.8191 -203126.5468 2571.0389 0.0000 0.0000 51923.5309 -109465.2529 298.4052 -161388.7838 -109099.6428 298.9986 -7.0322 15.6536 761148.6735 -13.3385 -13.3445 PRESSURE: 2515400 2.11161 43.9019 82.3283 43.9013 -108.784 -138.565 82.3282 -138.565 -75.8923 GPRESSURE: 2515400 40.4736 -44.1181 138.76 113.969 -73.7355 -120.713 64.2337 -152.17 -65.246 PRESSAVG: 2515400 62.4281 -30.6611 34.561 -30.6612 -62.0727 5.00787 34.5609 5.00791 11.6704 GPRESSAVG: 2515400 62.7257 -31.5383 34.5301 -30.7426 -62.6367 4.67738 36.2056 4.45947 11.3592 TIMING: 2515400 CPU: 8024.73, 0.00314114/step Wall: 8024.73, 0.00314114/step, 2.16791 hours remaining, 234.261719 MB of memory in use. ENERGY: 2515400 3997.2506 20363.1665 14515.3157 274.4845 -203635.2333 2806.7354 0.0000 0.0000 52364.8704 -109313.4102 300.9416 -161678.2805 -108951.7534 299.2896 -60.8547 -32.8359 763349.3263 4.0086 3.8161 PRESSURE: 2515600 -1.18987 202.644 115.277 202.644 -152.232 -301.541 115.276 -301.54 -7.41516 GPRESSURE: 2515600 90.6901 97.3742 110.089 104.586 -155.278 -378.214 197.025 -257.39 -20.1221 PRESSAVG: 2515600 51.1938 8.726 41.0655 8.72599 -72.4989 19.8675 41.0655 19.8676 22.1599 GPRESSAVG: 2515600 52.6648 7.5263 40.4752 8.55103 -72.5917 19.5778 38.9304 18.6234 20.9584 TIMING: 2515600 CPU: 8025.35, 0.00313511/step Wall: 8025.35, 0.00313511/step, 2.16357 hours remaining, 234.261719 MB of memory in use. ENERGY: 2515600 4015.7243 20577.6890 14529.1949 234.9351 -203377.9691 2738.6666 0.0000 0.0000 52059.7675 -109221.9916 299.1882 -161281.7591 -108862.0874 299.8245 -53.6123 -28.2366 762403.6533 0.2849 0.3438 PRESSURE: 2515800 152.048 50.4169 -141.06 50.4169 131.156 207.43 -141.06 207.431 -226.825 GPRESSURE: 2515800 253.864 -4.47652 -247.66 100.608 93.7739 208.921 -39.132 30.3514 -200.247 PRESSAVG: 2515800 53.5582 -26.4542 -2.38427 -26.4541 -75.1235 3.9273 -2.38425 3.92733 -12.202 GPRESSAVG: 2515800 53.1181 -25.2878 -1.79634 -24.6243 -75.1334 4.54482 -2.0813 3.86356 -11.6794 TIMING: 2515800 CPU: 8025.98, 0.00311788/step Wall: 8025.98, 0.00311788/step, 2.15151 hours remaining, 234.261719 MB of memory in use. ENERGY: 2515800 3957.9261 20529.9813 14461.6962 246.5978 -203191.8515 2729.9918 0.0000 0.0000 52164.7003 -109100.9580 299.7912 -161265.6583 -108740.9475 299.6128 18.7930 49.1305 762500.8319 -11.2558 -11.2315 PRESSURE: 2516000 -34.2795 -152.213 3.83934 -152.213 -541.163 5.74727 3.83916 5.74729 329.026 GPRESSURE: 2516000 -12.5502 -137.798 10.524 -97.2515 -474.215 106.638 -0.155361 -34.1182 309.547 PRESSAVG: 2516000 89.5262 -5.80719 27.2737 -5.80725 -56.4387 -4.96336 27.2738 -4.96333 22.7069 GPRESSAVG: 2516000 89.2644 -5.31696 25.6473 -6.82904 -57.1064 -4.5729 30.4957 -3.71694 23.3123 TIMING: 2516000 CPU: 8026.6, 0.00312793/step Wall: 8026.6, 0.00312793/step, 2.15827 hours remaining, 234.261719 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: 2516000 4060.5008 20413.7617 14487.7413 264.3104 -203041.8547 2585.7207 0.0000 0.0000 52092.6162 -109137.2035 299.3770 -161229.8197 -108776.0296 299.7237 -82.1388 -59.0727 761567.0130 18.5981 18.4901 PRESSURE: 2516200 -15.0153 114.422 -53.1572 114.423 -67.0824 68.982 -53.1568 68.9823 302.156 GPRESSURE: 2516200 57.6076 33.8184 -43.7393 177.089 -81.2014 77.4474 -25.4481 104.375 335.605 PRESSAVG: 2516200 -0.153623 -77.5757 -17.2998 -77.5757 16.2402 11.799 -17.2998 11.799 9.84061 GPRESSAVG: 2516200 -0.0702956 -77.3914 -18.5509 -78.6911 17.0733 11.6123 -18.2258 11.3921 8.86612 TIMING: 2516200 CPU: 8027.23, 0.00314255/step Wall: 8027.23, 0.00314255/step, 2.16819 hours remaining, 234.261719 MB of memory in use. ENERGY: 2516200 3998.1945 20503.9722 14447.3030 266.3565 -203405.1038 2877.2954 0.0000 0.0000 52178.5190 -109133.4632 299.8707 -161311.9821 -108775.1157 299.8599 73.3529 104.0036 762879.2396 8.6424 8.6231 LDB: ============= START OF LOAD BALANCING ============== 8039.65 LDB: ============== END OF LOAD BALANCING =============== 8039.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8039.65 LDB: ============= START OF LOAD BALANCING ============== 8039.96 LDB: Largest compute 7078 load 0.034081 is 17.4% of average load 0.195406 LDB: Average compute 0.004378 is 2.2% of average load 0.195406 LDB: TIME 8039.97 LOAD: AVG 0.195406 MAX 0.214009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 8039.97 LOAD: AVG 0.195406 MAX 0.214009 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 8039.97 LOAD: AVG 0.195406 MAX 0.214009 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 8039.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8039.98 PRESSURE: 2516400 -256.33 -275.444 255.119 -275.445 -614.565 1.47151 255.119 1.46975 226.398 GPRESSURE: 2516400 -294.874 -278.081 239.213 -220.838 -457.224 1.19026 116.948 46.4969 189.019 PRESSAVG: 2516400 40.4511 -84.105 -33.5287 -84.105 -6.22865 0.507601 -33.5288 0.507567 -17.5084 GPRESSAVG: 2516400 40.0601 -84.3376 -31.1414 -83.2899 -5.98215 -0.132639 -33.2043 0.60589 -17.6963 TIMING: 2516400 CPU: 8027.87, 0.00319779/step Wall: 8027.87, 0.00319779/step, 2.20612 hours remaining, 232.210938 MB of memory in use. ENERGY: 2516400 4055.9750 20357.3980 14471.0183 236.5784 -202790.9073 2374.4027 0.0000 0.0000 52031.9274 -109263.6075 299.0282 -161295.5349 -108895.8124 300.3136 -214.8327 -187.6929 762583.2048 5.5713 5.4606 PRESSURE: 2516600 271.525 -24.2628 121.692 -24.2623 -172.846 64.718 121.692 64.7169 119.741 GPRESSURE: 2516600 342.012 -94.8089 209.584 -18.904 -224.215 88.5013 57.8839 48.6343 176.158 PRESSAVG: 2516600 73.1922 -59.5092 -3.64627 -59.5092 -54.7068 19.1633 -3.64627 19.1633 -4.5417 GPRESSAVG: 2516600 74.0184 -58.7885 -4.35886 -58.1081 -56.304 19.8833 -4.36467 19.252 -3.6497 TIMING: 2516600 CPU: 8028.5, 0.00313481/step Wall: 8028.5, 0.00313481/step, 2.16249 hours remaining, 232.210938 MB of memory in use. ENERGY: 2516600 3987.1909 20471.6015 14597.2192 247.2994 -203666.6768 2924.0227 0.0000 0.0000 52120.5408 -109318.8023 299.5375 -161439.3431 -108961.9633 298.8864 72.8064 97.9851 761561.9309 4.6479 4.6882 PRESSURE: 2516800 -26.3561 70.6322 63.7882 70.6321 42.6511 -8.76891 63.7882 -8.769 -121.539 GPRESSURE: 2516800 -1.20407 -4.6457 82.6204 109.254 87.826 5.71186 31.753 -17.9722 -85.1523 PRESSAVG: 2516800 98.7037 -67.0174 -14.7959 -67.0174 -84.8972 -3.22 -14.7959 -3.22002 -6.58222 GPRESSAVG: 2516800 97.4752 -67.3432 -14.9402 -66.9728 -82.7198 -4.05327 -17.6538 -3.4894 -7.31992 TIMING: 2516800 CPU: 8029.12, 0.00314108/step Wall: 8029.12, 0.00314108/step, 2.16664 hours remaining, 232.210938 MB of memory in use. ENERGY: 2516800 3996.0041 20448.3713 14597.5652 239.8474 -203786.5517 3009.8649 0.0000 0.0000 52073.3176 -109421.5812 299.2661 -161494.8988 -109058.2160 299.3630 -35.0813 0.4899 763212.0268 2.4081 2.4785 PRESSURE: 2517000 0.244623 41.5651 -80.2229 41.5649 -325.141 8.85645 -80.2232 8.85545 -91.4451 GPRESSURE: 2517000 -24.6083 157.153 -67.4572 22.7242 -242.336 -18.4511 -30.9608 195.845 -57.3721 PRESSAVG: 2517000 19.5244 -102.417 33.3396 -102.417 2.47617 -2.85571 33.3396 -2.85579 26.6548 GPRESSAVG: 2517000 19.8553 -101.212 32.4909 -104.287 2.16651 -2.74875 33.8701 -2.64308 26.4785 TIMING: 2517000 CPU: 8029.75, 0.00314566/step Wall: 8029.75, 0.00314566/step, 2.16963 hours remaining, 232.210938 MB of memory in use. ENERGY: 2517000 4031.4254 20523.0113 14456.6856 252.6296 -203321.9460 2698.9247 0.0000 0.0000 51815.4838 -109543.7856 297.7843 -161359.2693 -109179.5401 298.7028 -138.7805 -108.1056 761939.7539 16.2185 16.1668 PRESSURE: 2517200 -298.53 -182.431 -73.156 -182.431 -213.432 32.4583 -73.156 32.4574 -374.606 GPRESSURE: 2517200 -239.63 -144.969 -2.89804 -158.778 -258.65 15.9612 -96.3138 44.535 -302.469 PRESSAVG: 2517200 26.9226 -106.323 -30.0562 -106.323 -51.5219 -21.4648 -30.0562 -21.4646 13.5386 GPRESSAVG: 2517200 26.2372 -106.392 -30.5962 -104.763 -52.0113 -19.4511 -27.4345 -21.4947 14.9838 TIMING: 2517200 CPU: 8030.38, 0.00312632/step Wall: 8030.38, 0.00312632/step, 2.15612 hours remaining, 232.210938 MB of memory in use. ENERGY: 2517200 4009.0752 20517.1691 14518.4316 234.2001 -203342.3480 2430.3911 0.0000 0.0000 52191.1931 -109441.8878 299.9435 -161633.0809 -109075.6506 298.7957 -295.5226 -266.9164 763058.2315 -3.6869 -3.5967 PRESSURE: 2517400 -106.696 -41.8952 17.0963 -41.895 -29.4986 -76.2714 17.0966 -76.271 -609.316 GPRESSURE: 2517400 -168.444 2.70114 -56.248 -42.7945 89.4428 -85.9219 -55.4371 23.0664 -590.332 PRESSAVG: 2517400 93.9342 -40.0043 18.409 -40.0044 -57.255 -12.3532 18.409 -12.3531 -1.38973 GPRESSAVG: 2517400 94.2797 -42.6279 18.6775 -39.3156 -57.1037 -12.7024 14.9404 -13.5078 -1.76145 TIMING: 2517400 CPU: 8031.01, 0.00313824/step Wall: 8031.01, 0.00313824/step, 2.16416 hours remaining, 232.210938 MB of memory in use. ENERGY: 2517400 4016.2762 20633.8805 14562.9719 251.5701 -203188.9981 2358.5418 0.0000 0.0000 51836.5261 -109529.2315 297.9052 -161365.7576 -109167.1347 298.5451 -248.5034 -223.1113 761679.8592 11.7631 11.8048 PRESSURE: 2517600 -173.552 25.1028 45.6581 25.1037 -88.503 85.9313 45.6582 85.9321 1.73464 GPRESSURE: 2517600 -101.233 -100.659 -47.6204 -3.26292 -44.6267 27.4602 25.8804 85.3964 -40.7451 PRESSAVG: 2517600 31.949 -17.4324 24.7158 -17.4324 -3.86704 -24.2328 24.7158 -24.2329 -1.69073 GPRESSAVG: 2517600 32.2504 -15.1541 25.7319 -19.4982 -5.24389 -24.9484 24.7544 -25.427 -1.39076 TIMING: 2517600 CPU: 8031.63, 0.00312467/step Wall: 8031.63, 0.00312467/step, 2.15463 hours remaining, 232.210938 MB of memory in use. ENERGY: 2517600 3968.5355 20534.1252 14476.6142 241.6122 -203932.7036 2901.2575 0.0000 0.0000 52238.0363 -109572.5227 300.2127 -161810.5590 -109201.7961 299.0884 -86.7734 -62.2016 761527.6787 8.7971 8.5386 PRESSURE: 2517800 -3.95522 -6.48908 119.541 -6.48859 -311.049 257.708 119.542 257.708 -143.276 GPRESSURE: 2517800 72.776 -85.1592 76.2729 -12.7689 -266.372 234.987 80.7757 327.626 -175.63 PRESSAVG: 2517800 53.5228 -47.3504 -36.7269 -47.3504 -56.6073 30.9678 -36.7269 30.9679 3.63504 GPRESSAVG: 2517800 52.5838 -46.7468 -38.06 -47.6552 -55.6133 29.3257 -35.4911 34.3979 3.24697 TIMING: 2517800 CPU: 8032.26, 0.00314238/step Wall: 8032.26, 0.00314238/step, 2.16667 hours remaining, 232.210938 MB of memory in use. ENERGY: 2517800 3966.0910 20509.3132 14489.6629 265.8154 -203281.7768 2422.5973 0.0000 0.0000 52148.1815 -109480.1155 299.6963 -161628.2970 -109101.4544 299.4616 -152.7602 -123.0754 762794.0411 0.1835 0.0725 PRESSURE: 2518000 187.001 -198.612 196.457 -198.612 -235.175 -43.4105 196.458 -43.4116 202.242 GPRESSURE: 2518000 229.838 -87.6386 209.573 -89.0601 -150.902 2.83006 223.76 -127.113 165.402 PRESSAVG: 2518000 94.3045 -37.562 20.8993 -37.5621 -76.7636 -2.89463 20.8992 -2.89465 -6.22987 GPRESSAVG: 2518000 92.9256 -38.6576 20.8677 -38.1452 -74.6148 -1.2366 21.7168 -7.58922 -6.44834 TIMING: 2518000 CPU: 8032.89, 0.0031451/step Wall: 8032.89, 0.0031451/step, 2.16837 hours remaining, 232.210938 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: 2518000 3997.0970 20728.7316 14511.1824 240.8669 -203884.0574 2745.0929 0.0000 0.0000 52076.9977 -109584.0888 299.2872 -161661.0865 -109216.5621 299.3948 51.3562 81.4462 760865.8242 3.7703 3.9541 PRESSURE: 2518200 -362.418 92.5011 -74.9644 92.5006 -59.4606 -61.9405 -74.9636 -61.9401 -85.9328 GPRESSURE: 2518200 -244.833 62.6715 -9.50886 179.879 -92.5764 -76.3626 -106.114 9.99625 -90.3507 PRESSAVG: 2518200 58.9819 -15.4401 -26.7144 -15.4401 -52.912 67.4559 -26.7143 67.4558 -6.87485 GPRESSAVG: 2518200 60.7958 -14.4197 -27.1228 -14.0882 -54.6981 67.6974 -26.5632 70.074 -6.77272 TIMING: 2518200 CPU: 8033.52, 0.00313842/step Wall: 8033.52, 0.00313842/step, 2.16359 hours remaining, 232.210938 MB of memory in use. ENERGY: 2518200 4059.0385 20557.6873 14524.5215 278.1903 -203467.7503 2553.7611 0.0000 0.0000 51894.1996 -109600.3520 298.2367 -161494.5516 -109245.8269 298.9193 -169.2704 -142.5865 761771.1270 -0.2683 -0.2250 PRESSURE: 2518400 287.768 -222.136 -58.4959 -222.135 -234.107 -167.089 -58.4954 -167.088 -94.6949 GPRESSURE: 2518400 314.198 -245.701 -73.2739 -167.234 -167.094 -200.59 -12.7093 -215.231 -99.2027 PRESSAVG: 2518400 -2.25403 -16.1714 13.2216 -16.1715 -21.1981 18.6213 13.2216 18.6213 -6.2367 GPRESSAVG: 2518400 -1.82512 -15.7221 14.6698 -18.3407 -21.4271 19.239 10.6524 17.1075 -6.24383 TIMING: 2518400 CPU: 8034.15, 0.00314289/step Wall: 8034.15, 0.00314289/step, 2.1665 hours remaining, 232.210938 MB of memory in use. ENERGY: 2518400 4058.0502 20437.1142 14465.0033 240.1757 -203294.6137 2378.6046 0.0000 0.0000 52117.5394 -109598.1264 299.5202 -161715.6658 -109229.1704 298.8023 -13.6779 15.9670 762235.4920 -9.8963 -9.8320 PRESSURE: 2518600 -211.361 163.307 -151.972 163.308 -123.167 37.283 -151.972 37.2835 -332.358 GPRESSURE: 2518600 -181.336 128.049 -215.257 60.6689 -168.326 108.694 -33.9607 99.3674 -210.362 PRESSAVG: 2518600 47.0789 -36.2728 76.5541 -36.2728 -60.2387 -9.32448 76.5541 -9.32445 13.4272 GPRESSAVG: 2518600 46.9529 -36.7037 76.4936 -35.3159 -60.7805 -11.3395 77.5746 -7.26163 14.1659 TIMING: 2518600 CPU: 8034.78, 0.00315246/step Wall: 8034.78, 0.00315246/step, 2.17292 hours remaining, 232.210938 MB of memory in use. ENERGY: 2518600 4021.9495 20520.2685 14530.0718 251.2532 -202857.4275 2132.2109 0.0000 0.0000 51833.7984 -109567.8753 297.8896 -161401.6737 -109208.9512 298.9664 -222.2956 -186.6746 762260.9375 0.0891 0.1128 PRESSURE: 2518800 211.372 -236.45 187.156 -236.45 369.89 69.6963 187.157 69.6972 78.5822 GPRESSURE: 2518800 307.364 -248.54 221.864 -63.4885 293.249 33.0466 218.207 169.851 137.988 PRESSAVG: 2518800 47.9521 -30.903 -14.101 -30.903 -86.2385 -10.7815 -14.1011 -10.7815 -1.92716 GPRESSAVG: 2518800 48.6739 -31.2093 -13.4834 -29.1013 -86.5092 -9.12323 -14.2625 -9.23217 -2.87484 TIMING: 2518800 CPU: 8035.41, 0.00314861/step Wall: 8035.41, 0.00314861/step, 2.17009 hours remaining, 232.210938 MB of memory in use. ENERGY: 2518800 4076.3319 20474.5620 14540.1585 269.9331 -203835.0455 3002.0948 0.0000 0.0000 51771.4900 -109700.4752 297.5315 -161471.9652 -109356.7894 298.9373 219.9480 246.2006 759543.9111 -13.4045 -13.5700 PRESSURE: 2519000 63.8307 3.58669 194.104 3.58766 -251.438 27.4015 194.104 27.4029 41.2493 GPRESSURE: 2519000 -7.05211 105.236 149.53 -115.408 -147.318 36.2394 175.618 16.7657 81.4716 PRESSAVG: 2519000 38.4717 -31.7618 13.3886 -31.7618 -42.8877 -6.81454 13.3886 -6.81447 20.76 GPRESSAVG: 2519000 37.1791 -30.9178 12.2854 -33.0625 -41.6995 -6.3152 11.4646 -8.79447 20.6297 TIMING: 2519000 CPU: 8036.04, 0.00315157/step Wall: 8036.04, 0.00315157/step, 2.17196 hours remaining, 232.210938 MB of memory in use. ENERGY: 2519000 3924.1878 20359.6645 14557.0176 245.5342 -203045.7221 2446.3606 0.0000 0.0000 51737.9567 -109775.0006 297.3387 -161512.9573 -109415.6062 298.1307 -48.7859 -24.2996 761116.3641 5.4480 5.3697 PRESSURE: 2519200 55.339 -168.191 -75.1523 -168.191 -191.177 227.994 -75.1534 227.994 72.0938 GPRESSURE: 2519200 51.193 -171.524 4.24481 -186.049 -202.718 234.672 -60.7546 211.908 164.371 PRESSAVG: 2519200 15.4525 -25.0427 11.9772 -25.0428 -26.2021 6.66536 11.9772 6.66529 -12.0742 GPRESSAVG: 2519200 15.6244 -25.3418 11.6101 -24.9538 -27.9987 7.05747 13.1819 5.05842 -11.1358 TIMING: 2519200 CPU: 8036.66, 0.00314111/step Wall: 8036.66, 0.00314111/step, 2.16458 hours remaining, 232.210938 MB of memory in use. ENERGY: 2519200 3941.7965 20422.4732 14541.2042 246.4444 -203227.7436 2253.7938 0.0000 0.0000 52207.7664 -109614.2652 300.0388 -161822.0315 -109239.9548 298.2310 -21.2481 4.2819 761735.3639 -7.6079 -7.8367 PRESSURE: 2519400 -52.9983 6.89776 62.0735 6.89797 -165.522 -83.9132 62.0727 -83.9119 223.989 GPRESSURE: 2519400 27.3012 -42.6896 97.633 60.5927 -127.652 -45.5117 30.1507 -25.6679 190.707 PRESSAVG: 2519400 35.0136 -78.1991 61.1558 -78.1991 -36.8248 15.7108 61.1558 15.7108 -19.1475 GPRESSAVG: 2519400 34.7806 -78.7411 60.7613 -77.6446 -35.8028 16.5184 61.7101 16.261 -19.4045 TIMING: 2519400 CPU: 8037.29, 0.00314285/step Wall: 8037.29, 0.00314285/step, 2.1656 hours remaining, 232.210938 MB of memory in use. ENERGY: 2519400 4046.2419 20341.4011 14550.5370 257.8093 -203796.9519 3016.5574 0.0000 0.0000 52021.5635 -109562.8415 298.9686 -161584.4050 -109193.3735 298.6756 1.8228 30.1187 761974.1195 -6.9862 -6.8089 PRESSURE: 2519600 88.8387 58.1113 282.159 58.1126 -101.095 -179.869 282.16 -179.869 26.8822 GPRESSURE: 2519600 170.556 -61.2376 284.983 -77.046 -95.1133 -132.262 276.092 -162.573 35.8136 PRESSAVG: 2519600 44.4045 -61.6475 13.7808 -61.6475 -36.5597 9.20964 13.7809 9.20965 -1.68764 GPRESSAVG: 2519600 43.7298 -59.7941 14.3065 -62.0591 -36.2467 5.98842 15.2198 9.60509 -2.14563 TIMING: 2519600 CPU: 8037.92, 0.00315435/step Wall: 8037.92, 0.00315435/step, 2.17335 hours remaining, 232.210938 MB of memory in use. ENERGY: 2519600 4088.3233 20421.2860 14512.3920 232.4380 -203457.6090 2533.3407 0.0000 0.0000 52161.2311 -109508.5979 299.7713 -161669.8290 -109151.6710 298.4584 4.8752 37.0854 762282.6228 2.0524 1.7792 PRESSURE: 2519800 214.571 -172.772 26.9512 -172.772 -82.5106 -140.802 26.9515 -140.803 -1.31851 GPRESSURE: 2519800 290.171 -195.539 -23.8598 -245.836 -95.3401 -211.086 189.544 47.9788 29.3455 PRESSAVG: 2519800 56.4573 -27.8762 17.5778 -27.8761 -45.5072 4.32164 17.5778 4.32163 8.53507 GPRESSAVG: 2519800 58.3083 -29.0121 17.433 -28.6094 -47.3753 5.96895 17.4757 6.67116 9.05888 TIMING: 2519800 CPU: 8038.55, 0.00315325/step Wall: 8038.55, 0.00315325/step, 2.17242 hours remaining, 232.210938 MB of memory in use. ENERGY: 2519800 3970.1583 20340.2215 14476.8752 252.0383 -203622.1832 2766.1198 0.0000 0.0000 51962.7678 -109854.0023 298.6307 -161816.7702 -109501.0729 298.5761 43.5805 74.7256 761157.6655 6.4951 6.6640 PRESSURE: 2520000 76.4416 46.1259 -153.057 46.1257 -131.271 116.378 -153.058 116.377 27.9449 GPRESSURE: 2520000 195.781 92.4722 -113.869 73.0667 -144.989 135.171 -260.707 115.104 -8.46681 PRESSAVG: 2520000 64.9543 18.2636 41.0507 18.2636 -67.1974 7.67678 41.0506 7.67677 -10.555 GPRESSAVG: 2520000 64.6577 18.9695 43.5245 18.3184 -66.4404 6.64183 38.1625 4.33107 -10.9167 TIMING: 2520000 CPU: 8039.19, 0.00316051/step Wall: 8039.19, 0.00316051/step, 2.17724 hours remaining, 232.210938 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: 2520000 3945.8026 20517.5125 14486.2967 240.1710 -203397.2951 2530.3260 0.0000 0.0000 51931.8075 -109745.3788 298.4528 -161677.1863 -109380.6013 298.3323 -8.9615 14.1085 763017.7465 -4.2660 -4.2331 PRESSURE: 2520200 335.767 -80.316 272.757 -80.3162 -64.4345 -22.5259 272.757 -22.5269 -134.17 GPRESSURE: 2520200 375.303 -208.013 273.216 -15.4667 21.6014 33.8965 159.401 55.7457 -163.308 PRESSAVG: 2520200 49.7196 -39.7147 34.9568 -39.7147 -44.2949 73.7758 34.9568 73.7759 -13.1389 GPRESSAVG: 2520200 49.703 -41.1197 32.9929 -38.5964 -43.8349 73.6526 34.1012 76.1567 -13.2904 TIMING: 2520200 CPU: 8039.82, 0.00315724/step Wall: 8039.82, 0.00315724/step, 2.17481 hours remaining, 232.210938 MB of memory in use. ENERGY: 2520200 3974.4325 20482.5044 14485.1331 247.9385 -203567.8193 2716.9532 0.0000 0.0000 51883.4499 -109777.4078 298.1749 -161660.8577 -109414.3906 298.1993 45.7206 77.8656 760086.9728 -2.5714 -2.4741 LDB: ============= START OF LOAD BALANCING ============== 8052.24 LDB: ============== END OF LOAD BALANCING =============== 8052.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8052.24 LDB: ============= START OF LOAD BALANCING ============== 8052.56 LDB: Largest compute 7059 load 0.035446 is 18.1% of average load 0.195579 LDB: Average compute 0.004386 is 2.2% of average load 0.195579 LDB: TIME 8052.56 LOAD: AVG 0.195579 MAX 0.214926 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.234 MB LDB: TIME 8052.56 LOAD: AVG 0.195579 MAX 0.214926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 8052.56 LOAD: AVG 0.195579 MAX 0.214926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 8052.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8052.57 PRESSURE: 2520400 207.916 -156.226 -156.576 -156.226 28.9287 -84.0372 -156.576 -84.038 56.8082 GPRESSURE: 2520400 347.014 -258.015 -185.334 -82.2094 62.7554 -57.9123 -135.582 -52.3119 -34.3728 PRESSAVG: 2520400 15.4082 -35.408 42.2332 -35.408 -8.09874 101 42.2332 101 0.870517 GPRESSAVG: 2520400 15.6093 -35.7761 42.8959 -36.5374 -7.60866 100.38 43.4767 99.3487 0.876582 TIMING: 2520400 CPU: 8040.46, 0.00321699/step Wall: 8040.46, 0.00321699/step, 2.21579 hours remaining, 233.492188 MB of memory in use. ENERGY: 2520400 3988.0094 20379.5073 14514.9828 236.2164 -203254.8990 2496.9808 0.0000 0.0000 51944.7447 -109694.4577 298.5272 -161639.2023 -109327.4744 298.2343 97.8844 125.1321 761322.0554 2.7267 2.9591 PRESSURE: 2520600 -183.54 -34.152 74.4965 -34.153 -132.689 14.1053 74.4965 14.1061 -70.487 GPRESSURE: 2520600 -118.551 15.817 6.9045 -114.252 -57.1552 25.8961 32.581 68.0251 -113.415 PRESSAVG: 2520600 1.14509 -60.2682 24.5338 -60.2682 -3.04921 3.83411 24.5338 3.83399 26.4546 GPRESSAVG: 2520600 1.01061 -58.184 24.3823 -59.7839 -2.55286 7.47191 25.5642 3.71486 26.7095 TIMING: 2520600 CPU: 8041.09, 0.00315065/step Wall: 8041.09, 0.00315065/step, 2.16992 hours remaining, 233.562500 MB of memory in use. ENERGY: 2520600 3955.3676 20399.3135 14542.2099 229.3020 -202647.7941 2130.1685 0.0000 0.0000 51913.8687 -109477.5638 298.3497 -161391.4325 -109122.1926 298.5189 -128.9055 -96.3739 761168.7388 8.1835 8.3891 PRESSURE: 2520800 -13.8086 -61.5752 23.244 -61.5748 -219.735 -4.88595 23.2438 -4.88634 -71.0906 GPRESSURE: 2520800 -47.8981 33.6671 -5.43668 -114.893 -152.355 -89.7013 -40.1687 10.0228 -21.2965 PRESSAVG: 2520800 66.5601 -70.1588 5.4571 -70.1588 -63.1068 -16.7572 5.45705 -16.7572 -9.58625 GPRESSAVG: 2520800 66.1441 -74.0893 5.13369 -67.2695 -62.0736 -20.2716 5.0447 -16.4757 -10.5921 TIMING: 2520800 CPU: 8041.72, 0.00315056/step Wall: 8041.72, 0.00315056/step, 2.16969 hours remaining, 233.562500 MB of memory in use. ENERGY: 2520800 3917.4751 20519.3289 14562.1105 226.1816 -203002.7857 2152.7830 0.0000 0.0000 52181.6580 -109443.2485 299.8887 -161624.9065 -109087.3382 298.9876 -101.5449 -73.8497 759525.8074 -2.0443 -2.1738 PRESSURE: 2521000 -19.8063 -192.048 215.654 -192.049 176.442 -9.91582 215.653 -9.91599 -121.839 GPRESSURE: 2521000 116.844 -229.117 268.073 -153.838 143.589 -5.24821 106.961 91.7902 -120.087 PRESSAVG: 2521000 25.8871 -50.7901 48.7382 -50.7902 -1.85613 1.09842 48.7382 1.09837 11.8737 GPRESSAVG: 2521000 26.1789 -47.2789 49.1471 -54.3398 -2.62781 2.43421 48.5065 0.267538 12.5446 TIMING: 2521000 CPU: 8042.35, 0.003156/step Wall: 8042.35, 0.003156/step, 2.17326 hours remaining, 233.562500 MB of memory in use. ENERGY: 2521000 4053.0962 20378.3565 14550.5151 257.5340 -202830.3392 2411.1488 0.0000 0.0000 51887.3740 -109292.3146 298.1975 -161179.6886 -108941.6546 299.0120 11.5990 46.7821 762329.8793 11.9682 12.0319 PRESSURE: 2521200 -122.74 -122.465 289.474 -122.466 224.729 -22.0247 289.474 -22.0249 117.027 GPRESSURE: 2521200 -11.8548 -104.919 205.243 -102.97 179.047 68.2298 52.743 -11.7621 124.094 PRESSAVG: 2521200 9.89396 -85.1708 21.1793 -85.1708 -13.9073 28.6858 21.1793 28.6858 -8.48083 GPRESSAVG: 2521200 10.2297 -86.3309 21.0281 -83.3073 -14.6359 28.3645 22.3184 29.4025 -8.51713 TIMING: 2521200 CPU: 8042.98, 0.00315276/step Wall: 8042.98, 0.00315276/step, 2.17085 hours remaining, 233.562500 MB of memory in use. ENERGY: 2521200 4059.8442 20438.3412 14449.8730 255.6167 -203404.4153 2717.6836 0.0000 0.0000 52232.5793 -109250.4773 300.1814 -161483.0566 -108893.1684 299.2490 73.0052 97.0954 760668.9049 -4.1647 -4.3078 PRESSURE: 2521400 -258.256 -48.5718 26.6955 -48.5715 -448.08 -1.44434 26.6952 -1.44569 -315.516 GPRESSURE: 2521400 -367.443 -166.527 -47.079 31.4463 -379.381 -125.726 62.2743 32.5168 -182.053 PRESSAVG: 2521400 36.9631 -6.37957 26.1009 -6.37958 -22.165 56.118 26.1009 56.118 -3.39085 GPRESSAVG: 2521400 36.2651 -6.18233 25.8538 -8.53412 -21.5425 56.1173 24.0507 56.7833 -3.23105 TIMING: 2521400 CPU: 8043.61, 0.00315649/step Wall: 8043.61, 0.00315649/step, 2.17325 hours remaining, 233.562500 MB of memory in use. ENERGY: 2521400 4008.5302 20634.7921 14493.7725 242.8236 -202966.3369 2254.1377 0.0000 0.0000 52245.7620 -109086.5189 300.2571 -161332.2810 -108721.5679 299.8559 -340.6173 -309.6254 759572.3012 3.8024 3.8305 PRESSURE: 2521600 -10.1117 -57.4568 -246.897 -57.4567 23.8807 -99.7046 -246.897 -99.7042 139.808 GPRESSURE: 2521600 -132.742 -104.141 -198.085 -36.7237 175.296 -168.514 -172.785 -5.83958 195.127 PRESSAVG: 2521600 24.0408 -16.7569 -64.3833 -16.757 7.64382 -54.2717 -64.3833 -54.2717 24.5023 GPRESSAVG: 2521600 23.8869 -15.126 -64.422 -17.7079 6.96709 -53.9412 -63.1187 -54.5788 24.8974 TIMING: 2521600 CPU: 8044.24, 0.00314263/step Wall: 8044.24, 0.00314263/step, 2.16353 hours remaining, 233.562500 MB of memory in use. ENERGY: 2521600 4010.6841 20448.3811 14512.7288 248.9584 -202935.1788 2026.0256 0.0000 0.0000 52342.4620 -109345.9390 300.8128 -161688.4010 -108971.9910 299.7701 51.1923 79.2271 760597.7996 18.7289 18.5838 PRESSURE: 2521800 223.337 -106.508 -91.6376 -106.509 -76.3919 -34.5337 -91.6376 -34.5338 59.1875 GPRESSURE: 2521800 179.661 -161.368 -116.55 -10.9955 41.2162 -21.1148 -148.573 -122.52 64.1583 PRESSAVG: 2521800 82.9923 -20.9727 -22.7304 -20.9727 -70.0406 -30.2998 -22.7305 -30.2997 16.9266 GPRESSAVG: 2521800 82.2297 -22.532 -23.6158 -19.961 -68.6097 -29.2603 -21.9311 -28.87 16.5856 TIMING: 2521800 CPU: 8044.87, 0.00313176/step Wall: 8044.87, 0.00313176/step, 2.15587 hours remaining, 233.562500 MB of memory in use. ENERGY: 2521800 3981.3641 20260.3743 14446.3392 248.2009 -203175.7154 2460.7011 0.0000 0.0000 52391.2720 -109387.4637 301.0934 -161778.7357 -109021.1404 299.5472 68.7110 95.0119 761425.4021 9.9594 10.0685 PRESSURE: 2522000 -102.175 -74.8413 352.983 -74.8414 -167.138 62.6019 352.982 62.6023 -90.646 GPRESSURE: 2522000 -13.9777 -154.089 381.957 -61.1267 -161.743 123.563 268.9 32.0161 -85.7203 PRESSAVG: 2522000 76.4833 -21.3646 -4.09801 -21.3646 -7.11819 20.1174 -4.09797 20.1174 -9.4304 GPRESSAVG: 2522000 78.4152 -19.5994 -2.76864 -20.9605 -8.11606 18.5951 -4.22619 17.5658 -9.90652 TIMING: 2522000 CPU: 8045.5, 0.00314575/step Wall: 8045.5, 0.00314575/step, 2.16532 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2522000 4030.7875 20392.7200 14483.7624 246.9320 -203347.9641 2541.8134 0.0000 0.0000 52205.9721 -109445.9766 300.0284 -161651.9487 -109084.0403 299.0244 -119.9864 -87.1471 761394.9710 19.9782 20.1309 PRESSURE: 2522200 -79.9653 94.3574 -40.5524 94.3577 -196.016 -25.9698 -40.5525 -25.9701 -117.609 GPRESSURE: 2522200 -67.7687 68.0773 -66.8673 -75.8181 -186.612 -61.0593 -45.4574 -179.938 -68.154 PRESSAVG: 2522200 38.5711 -24.7726 -2.19134 -24.7725 24.9638 -15.7428 -2.19137 -15.7428 15.3915 GPRESSAVG: 2522200 37.765 -25.6189 -3.3812 -27.4086 25.5503 -15.4582 -0.930352 -16.0192 15.9237 TIMING: 2522200 CPU: 8046.13, 0.00315242/step Wall: 8046.13, 0.00315242/step, 2.16974 hours remaining, 233.562500 MB of memory in use. ENERGY: 2522200 3991.4668 20399.0572 14576.7755 224.8826 -203110.3407 2234.7886 0.0000 0.0000 52178.7106 -109504.6595 299.8718 -161683.3700 -109136.4725 299.4110 -131.1968 -107.5115 759686.8633 26.3088 26.4130 PRESSURE: 2522400 -17.3258 -259.459 -34.5197 -259.458 55.3587 -75.7552 -34.5193 -75.7548 168.647 GPRESSURE: 2522400 -56.4552 -264.798 -70.7763 -236.829 134.217 -45.9886 23.6518 -96.8866 220.979 PRESSAVG: 2522400 -35.6528 3.15191 -4.03568 3.15184 -18.0647 -11.4383 -4.0357 -11.4383 -8.60349 GPRESSAVG: 2522400 -35.4127 3.0617 -4.22015 5.26788 -17.9286 -10.8737 -4.80733 -9.17818 -9.07538 TIMING: 2522400 CPU: 8046.76, 0.00315069/step Wall: 8046.76, 0.00315069/step, 2.16838 hours remaining, 233.562500 MB of memory in use. ENERGY: 2522400 3962.4077 20553.1018 14480.5575 257.0942 -203262.2828 2646.1252 0.0000 0.0000 52094.4355 -109268.5611 299.3874 -161362.9965 -108900.1554 299.1984 68.8934 99.5801 760474.8604 -20.7737 -20.8055 PRESSURE: 2522600 173.63 -76.7944 -261.837 -76.7942 232.257 58.0256 -261.838 58.0251 261.828 GPRESSURE: 2522600 265.373 -45.6254 -202.637 -153.051 293.901 95.1838 -321.418 78.0563 206.513 PRESSAVG: 2522600 -32.5429 -4.60564 17.6214 -4.60566 14.9843 -13.1601 17.6214 -13.16 26.6022 GPRESSAVG: 2522600 -33.1206 -4.57453 19.0238 -6.75427 15.3061 -14.1979 15.8999 -12.7189 26.9119 TIMING: 2522600 CPU: 8047.39, 0.00315021/step Wall: 8047.39, 0.00315021/step, 2.16787 hours remaining, 233.562500 MB of memory in use. ENERGY: 2522600 3991.6290 20471.0591 14489.3701 235.5152 -203117.6008 2457.5599 0.0000 0.0000 52220.1025 -109252.3649 300.1096 -161472.4674 -108890.3544 299.6621 222.5719 255.2626 761305.0341 3.0145 3.0325 PRESSURE: 2522800 -113.203 -107.624 140.666 -107.624 -128.848 -120.126 140.666 -120.126 -41.2457 GPRESSURE: 2522800 -65.9201 -23.3311 116.284 -85.7299 -121.28 -119.919 241.639 -139.993 -14.3366 PRESSAVG: 2522800 28.3671 42.2783 -40.4407 42.2783 -9.37764 -6.63563 -40.4408 -6.63567 -3.63806 GPRESSAVG: 2522800 29.2108 42.3552 -40.0297 43.5406 -10.8071 -8.1318 -39.5978 -7.43821 -2.66685 TIMING: 2522800 CPU: 8048.02, 0.00313769/step Wall: 8048.02, 0.00313769/step, 2.15908 hours remaining, 233.562500 MB of memory in use. ENERGY: 2522800 4008.4363 20442.8033 14545.4121 253.5409 -203049.2898 2384.3837 0.0000 0.0000 52192.6294 -109222.0841 299.9518 -161414.7135 -108860.7354 299.6869 -94.4321 -67.1787 762484.6094 5.1172 5.2456 PRESSURE: 2523000 -52.7158 -25.8719 -3.60922 -25.8722 -243.147 57.198 -3.61055 57.1981 -13.2267 GPRESSURE: 2523000 1.13508 -140.916 88.7315 -11.7168 -183.483 56.847 -23.0516 173.884 -35.9621 PRESSAVG: 2523000 31.2998 -53.9665 -39.8879 -53.9666 -36.8983 -7.36007 -39.888 -7.36015 12.0756 GPRESSAVG: 2523000 31.4695 -54.8078 -40.0548 -51.7364 -35.4466 -5.06748 -39.7238 -7.68893 10.6997 TIMING: 2523000 CPU: 8048.65, 0.00315031/step Wall: 8048.65, 0.00315031/step, 2.16759 hours remaining, 233.562500 MB of memory in use. ENERGY: 2523000 3999.7999 20483.7511 14489.0495 249.8154 -203072.8212 2274.1518 0.0000 0.0000 52152.6629 -109423.5907 299.7221 -161576.2536 -109066.2229 298.8226 -103.0298 -72.7702 760587.6517 2.1590 2.2409 PRESSURE: 2523200 -177.558 -102.716 -83.2451 -102.716 -128.377 -36.7128 -83.2454 -36.7122 -280.204 GPRESSURE: 2523200 -93.6863 -35.6934 -58.6587 -161.965 -76.4181 -24.7405 39.1752 -100.476 -316.655 PRESSAVG: 2523200 -0.623268 -22.6062 -13.1747 -22.6062 -43.6302 4.87444 -13.1747 4.87441 20.9989 GPRESSAVG: 2523200 -1.93394 -21.5005 -13.0163 -24.2977 -43.1632 5.38892 -12.3125 4.23156 21.8192 TIMING: 2523200 CPU: 8049.28, 0.00316579/step Wall: 8049.28, 0.00316579/step, 2.17806 hours remaining, 233.562500 MB of memory in use. ENERGY: 2523200 3973.8863 20504.3798 14512.2685 249.9310 -203105.4943 2324.8553 0.0000 0.0000 51998.4317 -109541.7416 298.8357 -161540.1733 -109176.5729 299.0579 -195.3796 -162.2533 763701.7957 -7.7515 -7.7593 PRESSURE: 2523400 -217.388 -22.2632 280.019 -22.2635 -152.886 1.91453 280.019 1.91434 273.846 GPRESSURE: 2523400 -104.16 44.8681 241.936 -76.6425 -220.921 -24.7084 130.998 -63.1931 299.761 PRESSAVG: 2523400 -11.7312 -59.3129 35.8462 -59.313 14.6326 12.1203 35.8462 12.1203 -6.52553 GPRESSAVG: 2523400 -10.8121 -57.905 36.0136 -60.1452 14.5282 11.0718 33.1636 12.9359 -6.99978 TIMING: 2523400 CPU: 8049.91, 0.00315454/step Wall: 8049.91, 0.00315454/step, 2.17015 hours remaining, 233.562500 MB of memory in use. ENERGY: 2523400 4019.0463 20447.4526 14451.0689 245.6865 -203751.9953 2917.6841 0.0000 0.0000 52301.5706 -109369.4865 300.5778 -161671.0571 -109014.1684 299.5275 -32.1427 -8.4403 762289.2266 -1.2080 -1.0946 PRESSURE: 2523600 -77.9293 -139.156 -246.552 -139.157 87.4004 131.267 -246.553 131.267 -186.382 GPRESSURE: 2523600 -142.968 -109.617 -203.364 -66.8916 230.569 156.906 -167.041 191.884 -155.893 PRESSAVG: 2523600 2.70372 -33.1813 37.7508 -33.1813 20.0047 79.4122 37.7509 79.4123 -12.7408 GPRESSAVG: 2523600 3.23316 -34.484 36.5989 -31.1899 19.203 80.0581 39.8409 81.0041 -12.7183 TIMING: 2523600 CPU: 8050.54, 0.0031586/step Wall: 8050.54, 0.0031586/step, 2.17277 hours remaining, 233.562500 MB of memory in use. ENERGY: 2523600 3983.7537 20568.5612 14499.7925 274.3454 -203214.3082 2689.4874 0.0000 0.0000 52048.3153 -109150.0528 299.1224 -161198.3681 -108788.7024 299.3882 -58.9704 -22.7642 763190.9755 3.3226 3.2393 PRESSURE: 2523800 -59.3238 49.8239 -116.439 49.8242 -143.03 -23.0934 -116.439 -23.0937 -29.8803 GPRESSURE: 2523800 36.661 51.1048 -207.583 46.3942 -90.4135 -1.91386 -91.3641 -16.2823 -98.7052 PRESSAVG: 2523800 12.3641 -5.17046 -9.97615 -5.17044 -2.23148 -10.1905 -9.97619 -10.1906 4.79031 GPRESSAVG: 2523800 13.93 -7.46988 -8.93478 -4.73094 -2.89016 -9.70252 -10.9621 -12.1574 4.0969 TIMING: 2523800 CPU: 8051.17, 0.00314987/step Wall: 8051.17, 0.00314987/step, 2.16658 hours remaining, 233.562500 MB of memory in use. ENERGY: 2523800 4023.4284 20604.8213 14571.8501 251.8565 -203316.6144 2711.2019 0.0000 0.0000 52154.9824 -108998.4738 299.7354 -161153.4562 -108643.8178 299.7257 -77.4115 -50.8192 761883.6144 4.9743 5.0456 PRESSURE: 2524000 -54.5215 117.593 -49.9535 117.592 -258.094 -179.397 -49.9545 -179.398 -31.6001 GPRESSURE: 2524000 -135.542 157.573 -16.0453 101.311 -151.722 -160.283 -13.7696 -148.504 2.36226 PRESSAVG: 2524000 76.6827 -34.843 -22.8288 -34.843 -43.4984 23.6646 -22.8288 23.6646 -9.54425 GPRESSAVG: 2524000 74.7353 -33.1922 -23.4676 -35.2282 -42.9156 24.761 -21.059 23.859 -7.81837 TIMING: 2524000 CPU: 8051.8, 0.00313865/step Wall: 8051.8, 0.00313865/step, 2.15869 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2524000 4078.8976 20517.4508 14516.3163 265.9594 -202632.1456 2157.6688 0.0000 0.0000 52224.4671 -108871.3855 300.1347 -161095.8527 -108514.9408 300.1401 -114.7387 -94.9671 762025.6978 7.8800 8.0004 PRESSURE: 2524200 -119.513 -24.6867 -61.309 -24.687 94.8168 167.576 -61.309 167.575 63.0961 GPRESSURE: 2524200 -91.3996 -104.272 -6.95588 -45.0885 151.784 145.426 -168.118 90.3458 61.5555 PRESSAVG: 2524200 66.678 59.2697 -9.50976 59.2696 -38.3452 26.4957 -9.50973 26.4957 19.2404 GPRESSAVG: 2524200 66.4042 59.7747 -8.06294 57.6545 -37.9976 23.41 -11.4625 26.5642 18.4499 TIMING: 2524200 CPU: 8052.43, 0.00313616/step Wall: 8052.43, 0.00313616/step, 2.1568 hours remaining, 233.562500 MB of memory in use. ENERGY: 2524200 3938.6120 20537.8963 14549.6998 254.2791 -203086.6285 2638.9347 0.0000 0.0000 52108.7353 -109058.4712 299.4696 -161167.2065 -108706.8262 300.1596 12.8000 40.6467 763307.0925 15.8577 15.6189 LDB: ============= START OF LOAD BALANCING ============== 8064.85 LDB: ============== END OF LOAD BALANCING =============== 8064.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8064.85 LDB: ============= START OF LOAD BALANCING ============== 8065.16 LDB: Largest compute 7059 load 0.035126 is 18.0% of average load 0.195468 LDB: Average compute 0.004385 is 2.2% of average load 0.195468 LDB: TIME 8065.17 LOAD: AVG 0.195468 MAX 0.215611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 8065.17 LOAD: AVG 0.195468 MAX 0.215611 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: TIME 8065.17 LOAD: AVG 0.195468 MAX 0.215611 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: ============== END OF LOAD BALANCING =============== 8065.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8065.17 PRESSURE: 2524400 199.986 278.336 -334.249 278.337 -58.502 108.259 -334.249 108.259 71.8167 GPRESSURE: 2524400 208.85 269.702 -294.504 214.268 -64.6258 85.9314 -286.084 84.751 165.013 PRESSAVG: 2524400 35.2074 -4.83838 -62.8879 -4.83836 23.3974 7.81097 -62.8879 7.811 11.3959 GPRESSAVG: 2524400 35.0294 -6.73928 -64.9978 -3.26296 23.1431 8.63452 -60.1175 8.00491 12.4717 TIMING: 2524400 CPU: 8053.07, 0.00319699/step Wall: 8053.07, 0.00319699/step, 2.19846 hours remaining, 232.792969 MB of memory in use. ENERGY: 2524400 3988.1505 20531.2365 14534.0074 265.7770 -202960.0824 2461.0799 0.0000 0.0000 52107.5525 -109072.2787 299.4628 -161179.8312 -108710.3714 300.0001 71.1004 103.0788 761705.9295 23.3336 23.5481 PRESSURE: 2524600 167.066 71.0307 5.86308 71.0311 -33.7011 23.782 5.86363 23.7823 502.884 GPRESSURE: 2524600 310.037 46.1936 -1.76847 49.6044 -117.613 -57.5145 -106.078 124.928 525.706 PRESSAVG: 2524600 43.1533 23.1094 -52.955 23.1094 -56.328 79.024 -52.955 79.0239 23.231 GPRESSAVG: 2524600 43.882 26.7512 -51.8802 20.3146 -57.0245 81.3045 -54.5563 77.5637 22.6151 TIMING: 2524600 CPU: 8053.7, 0.00313994/step Wall: 8053.7, 0.00313994/step, 2.15906 hours remaining, 232.996094 MB of memory in use. ENERGY: 2524600 3914.5800 20382.8465 14484.0328 243.0299 -202635.3036 2441.9157 0.0000 0.0000 52017.2166 -109151.6821 298.9437 -161168.8987 -108786.7439 299.1747 212.0829 239.3769 762269.3907 3.3521 3.1575 PRESSURE: 2524800 -441.567 -67.9846 4.75692 -67.9854 12.5105 -50.5994 4.75771 -50.5996 51.1048 GPRESSURE: 2524800 -342.64 -10.7846 -8.8458 -130.665 -48.8417 -17.8263 -7.62983 -1.65286 71.8308 PRESSAVG: 2524800 46.2823 16.5878 -14.3534 16.5878 -71.6973 -17.5819 -14.3534 -17.5819 2.42551 GPRESSAVG: 2524800 46.6166 16.1375 -15.0919 17.5748 -71.9697 -18.0973 -15.9453 -15.1515 2.44811 TIMING: 2524800 CPU: 8054.33, 0.00315076/step Wall: 8054.33, 0.00315076/step, 2.16632 hours remaining, 232.996094 MB of memory in use. ENERGY: 2524800 4049.0545 20701.4468 14480.1347 229.7213 -202791.9887 2422.5715 0.0000 0.0000 51933.3344 -108975.7254 298.4616 -160909.0598 -108618.0356 299.3694 -125.9839 -106.5503 762398.5009 -7.6632 -7.6350 PRESSURE: 2525000 -282.008 -41.3217 -196.89 -41.3217 -117.257 -110.02 -196.891 -110.02 -197.158 GPRESSURE: 2525000 -232.046 -10.9711 -227.513 9.85308 -73.6749 -58.5695 -131.92 -212.631 -200.622 PRESSAVG: 2525000 -3.97978 19.5305 47.0672 19.5305 -16.3939 -19.34 47.0672 -19.34 -2.49626 GPRESSAVG: 2525000 -4.36661 17.938 46.6118 20.1009 -15.6807 -19.728 48.4804 -20.481 -1.96234 TIMING: 2525000 CPU: 8054.95, 0.0031428/step Wall: 8054.95, 0.0031428/step, 2.16067 hours remaining, 232.996094 MB of memory in use. ENERGY: 2525000 4001.3120 20510.0390 14524.8698 263.4929 -203007.7363 2322.0793 0.0000 0.0000 52353.3459 -109032.5974 300.8754 -161385.9433 -108664.4271 299.7455 -198.8076 -168.7811 759484.8622 -7.6233 -7.3366 PRESSURE: 2525200 -452.164 389.248 -61.8875 389.249 -158.57 -224.489 -61.8868 -224.488 -176.297 GPRESSURE: 2525200 -413.274 326.466 -83.487 307.192 -139.361 -237.394 72.4323 -73.5799 -155.741 PRESSAVG: 2525200 43.3818 33.4913 46.0814 33.4913 -16.7681 -11.9606 46.0815 -11.9606 19.2633 GPRESSAVG: 2525200 42.5421 34.9486 48.1996 33.37 -15.8255 -13.7345 46.4962 -9.23305 19.0298 TIMING: 2525200 CPU: 8055.59, 0.00315717/step Wall: 8055.59, 0.00315717/step, 2.17038 hours remaining, 232.996094 MB of memory in use. ENERGY: 2525200 3942.8206 20503.6481 14512.7743 239.8900 -203119.8944 2476.3993 0.0000 0.0000 52269.2364 -109175.1256 300.3920 -161444.3621 -108812.6774 299.9511 -262.3437 -236.1255 761640.6574 15.2923 15.2488 PRESSURE: 2525400 170.018 40.2474 64.0217 40.248 196.91 298.064 64.0217 298.064 103.879 GPRESSURE: 2525400 194.574 -0.53481 81.1929 75.3167 144.242 332.443 -61.4429 102.619 193.238 PRESSAVG: 2525400 22.8244 4.27799 -7.83955 4.27803 -24.4409 10.0502 -7.83952 10.0502 12.3501 GPRESSAVG: 2525400 24.194 3.18583 -9.35857 5.84509 -24.9889 12.396 -9.3356 6.23151 11.8817 TIMING: 2525400 CPU: 8056.22, 0.00315029/step Wall: 8056.22, 0.00315029/step, 2.16548 hours remaining, 232.996094 MB of memory in use. ENERGY: 2525400 4053.5497 20546.7900 14565.3670 245.3799 -203338.0726 2569.8247 0.0000 0.0000 52159.3948 -109197.7665 299.7608 -161357.1613 -108835.6019 299.9372 156.9357 177.3512 759757.8211 3.5779 3.6956 PRESSURE: 2525600 32.8951 62.2231 -54.0301 62.2231 116.66 4.87485 -54.03 4.87447 -25.6761 GPRESSURE: 2525600 -1.78316 -5.09776 -64.2392 75.1572 146.968 62.1126 -116.043 -82.6309 42.2993 PRESSAVG: 2525600 57.9291 -4.94735 -15.62 -4.94736 -40.372 -29.5429 -15.6201 -29.5429 4.824 GPRESSAVG: 2525600 58.1541 -5.73 -15.1065 -5.95647 -41.8988 -29.5559 -17.2041 -27.8826 6.22992 TIMING: 2525600 CPU: 8056.84, 0.00312115/step Wall: 8056.84, 0.00312115/step, 2.14527 hours remaining, 232.996094 MB of memory in use. ENERGY: 2525600 4007.7880 20746.9787 14493.3594 264.0983 -203492.7237 2667.1541 0.0000 0.0000 52013.1398 -109300.2054 298.9202 -161313.3452 -108937.8357 299.3963 41.2930 62.4949 760627.2208 7.4604 7.4951 PRESSURE: 2525800 100.584 -199.147 12.9741 -199.146 -302.261 10.555 12.9739 10.5561 179.328 GPRESSURE: 2525800 155.575 -205.904 34.5321 -156.845 -273.836 52.7096 -43.9274 -52.2842 176.019 PRESSAVG: 2525800 34.4862 -34.9755 0.921269 -34.9755 -23.0943 -11.3676 0.921218 -11.3676 -4.21502 GPRESSAVG: 2525800 34.1358 -37.6237 0.0271717 -34.6059 -21.5211 -13.3585 1.91011 -10.6931 -5.30436 TIMING: 2525800 CPU: 8057.46, 0.0031211/step Wall: 8057.46, 0.0031211/step, 2.14506 hours remaining, 232.996094 MB of memory in use. ENERGY: 2525800 3981.4294 20726.5776 14444.6871 245.9550 -203056.3580 2466.6747 0.0000 0.0000 52109.8197 -109081.2145 299.4758 -161191.0342 -108719.3075 299.6238 -7.4496 19.2526 759633.9595 2.3923 2.4368 PRESSURE: 2526000 -153.734 16.9286 -311.436 16.9299 -9.53795 86.8129 -311.436 86.8136 16.9149 GPRESSURE: 2526000 -103.568 -21.0555 -360.642 60.6054 117.743 76.6745 -173.928 94.9762 -56.5682 PRESSAVG: 2526000 56.7703 -9.74251 -26.2747 -9.74253 -41.8705 10.6134 -26.2747 10.6134 6.87736 GPRESSAVG: 2526000 56.9299 -5.84583 -25.2025 -11.0945 -41.6822 11.231 -25.6699 10.3575 7.07063 TIMING: 2526000 CPU: 8058.09, 0.00314337/step Wall: 8058.09, 0.00314338/step, 2.1602 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2526000 3983.9907 20687.7275 14506.7792 243.3173 -203187.2685 2553.4250 0.0000 0.0000 52025.1706 -109186.8581 298.9894 -161212.0287 -108831.3555 299.6847 -48.7857 -14.1312 760706.3525 7.2591 7.4394 PRESSURE: 2526200 -193.286 -1.60826 -45.3667 -1.60811 -250.271 -79.4863 -45.3661 -79.4852 -307.201 GPRESSURE: 2526200 -96.8027 -42.7102 -55.2546 170.497 -300.729 -94.2612 -22.1542 28.7278 -244.296 PRESSAVG: 2526200 33.0594 -39.2022 6.91172 -39.2023 -12.9088 43.6453 6.91177 43.6454 17.6964 GPRESSAVG: 2526200 33.0298 -39.3063 6.10347 -40.6166 -14.3657 43.0737 7.42799 44.5507 18.6073 TIMING: 2526200 CPU: 8058.72, 0.00313957/step Wall: 8058.72, 0.00313957/step, 2.1574 hours remaining, 232.996094 MB of memory in use. ENERGY: 2526200 4048.3494 20585.4813 14424.5602 238.1931 -203083.2439 2591.5905 0.0000 0.0000 52116.9140 -109078.1554 299.5166 -161195.0694 -108715.2717 300.1929 -250.2529 -213.9427 762105.7411 12.6157 12.4238 PRESSURE: 2526400 1.25238 162.293 79.7277 162.292 -426.978 23.414 79.728 23.4132 -120.19 GPRESSURE: 2526400 79.2196 189.095 99.552 -5.98063 -398.766 14.012 214.377 -4.50341 -136.858 PRESSAVG: 2526400 53.4614 -22.6814 50.1498 -22.6814 -67.4577 5.85953 50.1498 5.85946 25.3902 GPRESSAVG: 2526400 54.563 -26.0036 50.1226 -22.0984 -67.381 4.44679 50.3855 6.54053 24.5853 TIMING: 2526400 CPU: 8059.35, 0.003148/step Wall: 8059.35, 0.003148/step, 2.16302 hours remaining, 232.996094 MB of memory in use. ENERGY: 2526400 4010.9741 20591.9762 14569.5520 255.8255 -202888.3970 2106.0254 0.0000 0.0000 52067.9087 -109286.1350 299.2350 -161354.0437 -108933.7292 300.1063 -181.9717 -152.1349 762108.0463 3.7980 3.9224 PRESSURE: 2526600 152.441 48.7555 -55.5898 48.7568 130.219 -59.0719 -55.5899 -59.0725 68.0233 GPRESSURE: 2526600 183.201 88.8078 -85.8735 34.4713 132.321 -75.3545 -36.4922 29.1734 135.151 PRESSAVG: 2526600 46.0135 27.3533 -45.411 27.3534 -55.0246 52.3203 -45.411 52.3203 7.42528 GPRESSAVG: 2526600 45.006 30.825 -46.1726 26.9051 -54.8971 54.6297 -45.3695 49.5877 8.66018 TIMING: 2526600 CPU: 8059.98, 0.0031415/step Wall: 8059.98, 0.0031415/step, 2.15838 hours remaining, 232.996094 MB of memory in use. ENERGY: 2526600 3938.2161 20569.5657 14523.6156 250.9948 -202987.5798 2496.7062 0.0000 0.0000 52026.7389 -109181.7425 298.9984 -161208.4814 -108819.3552 299.5081 116.8946 150.2243 761209.7551 -0.5286 -0.4103 PRESSURE: 2526800 201.847 -96.6035 -17.3972 -96.6027 46.0069 128.117 -17.3979 128.118 -73.6536 GPRESSURE: 2526800 230.317 -50.8152 -18.8346 2.11028 90.1961 128.641 -5.45586 42.3129 -69.5885 PRESSAVG: 2526800 -11.4699 -40.0556 -3.16564 -40.0556 -46.8675 13.6087 -3.16556 13.6087 -6.21176 GPRESSAVG: 2526800 -9.36024 -41.8561 -4.92543 -39.6209 -46.9871 12.5828 -0.352343 13.763 -8.04143 TIMING: 2526800 CPU: 8060.61, 0.00313497/step Wall: 8060.61, 0.00313496/step, 2.15372 hours remaining, 232.996094 MB of memory in use. ENERGY: 2526800 4032.3438 20576.8100 14527.4218 238.9911 -202922.9457 2282.6774 0.0000 0.0000 52102.4578 -109162.2439 299.4335 -161264.7017 -108796.7699 299.1537 58.0667 83.6416 761160.4310 -21.5164 -21.4629 PRESSURE: 2527000 -112.982 -172.74 85.4909 -172.74 -258.008 60.7349 85.4906 60.7352 -190.111 GPRESSURE: 2527000 -15.7967 -109.921 -35.5494 -57.2174 -221.279 7.80263 102.11 -2.22068 -236.094 PRESSAVG: 2527000 85.0896 -23.1589 36.0099 -23.1589 -63.1428 -26.9187 36.0098 -26.9188 3.35214 GPRESSAVG: 2527000 84.823 -22.0556 37.4256 -23.2263 -63.3427 -25.4504 34.3916 -25.423 3.81676 TIMING: 2527000 CPU: 8061.23, 0.00313655/step Wall: 8061.23, 0.00313655/step, 2.15463 hours remaining, 232.996094 MB of memory in use. ENERGY: 2527000 3957.4201 20551.0478 14619.5597 235.9517 -203174.1654 2422.9221 0.0000 0.0000 52206.0688 -109181.1954 300.0290 -161387.2641 -108818.1666 299.4637 -187.0336 -157.7232 762206.7875 8.4330 8.4324 PRESSURE: 2527200 -116.298 -232.582 3.70804 -232.583 30.9651 -401.997 3.70746 -401.998 221.134 GPRESSURE: 2527200 21.9826 -300.041 31.0575 -189.051 47.5726 -357.789 -207.786 -372.489 153.146 PRESSAVG: 2527200 44.595 2.1325 46.2142 2.13246 -5.54334 -64.7044 46.2142 -64.7044 -32.8728 GPRESSAVG: 2527200 43.9106 0.484382 46.2402 3.29316 -4.57319 -66.202 46.4732 -62.5956 -33.0254 TIMING: 2527200 CPU: 8061.86, 0.00314715/step Wall: 8061.86, 0.00314715/step, 2.16174 hours remaining, 232.996094 MB of memory in use. ENERGY: 2527200 4001.3531 20411.2469 14563.5927 254.1402 -203223.8241 2325.5513 0.0000 0.0000 52356.2889 -109311.6510 300.8923 -161667.9399 -108945.7457 299.8556 45.2668 74.2337 760874.4435 2.0596 2.1040 PRESSURE: 2527400 116.43 -147.11 -119.784 -147.11 -199.668 -267.223 -119.785 -267.222 58.2793 GPRESSURE: 2527400 210.689 -29.986 -84.648 -138.416 -172.839 -243.098 -111.329 -271.831 38.7509 PRESSAVG: 2527400 19.4471 13.0583 -52.2361 13.0582 -17.7193 -99.315 -52.2361 -99.3151 14.7373 GPRESSAVG: 2527400 20.72 14.8156 -51.7853 11.4039 -19.0585 -99.0676 -54.2447 -103.279 15.1236 TIMING: 2527400 CPU: 8062.49, 0.00314344/step Wall: 8062.49, 0.00314344/step, 2.15902 hours remaining, 232.996094 MB of memory in use. ENERGY: 2527400 3982.5201 20610.7023 14461.4252 272.6256 -203379.7332 2519.1937 0.0000 0.0000 52030.3769 -109502.8893 299.0193 -161533.2662 -109136.8150 299.5310 -8.3197 25.5336 759346.8929 5.4884 5.5950 PRESSURE: 2527600 288.377 -39.0914 154.916 -39.0915 -263.054 -246.617 154.917 -246.616 -249.585 GPRESSURE: 2527600 311.17 0.920654 133.733 -82.6572 -276.929 -191.905 124.493 -271.173 -161.068 PRESSAVG: 2527600 55.7231 -1.0788 -45.5204 -1.07878 -46.5494 -47.9714 -45.5204 -47.9714 7.65125 GPRESSAVG: 2527600 54.7163 -2.24239 -44.4053 -3.29815 -44.8104 -45.9597 -45.6084 -48.0933 7.67529 TIMING: 2527600 CPU: 8063.12, 0.00314561/step Wall: 8063.12, 0.00314561/step, 2.16033 hours remaining, 232.996094 MB of memory in use. ENERGY: 2527600 3966.6463 20548.6805 14539.2444 235.2557 -203214.5006 2431.8284 0.0000 0.0000 51997.0640 -109495.7814 298.8278 -161492.8454 -109131.5069 299.2357 -74.7541 -42.2759 761108.4671 5.6083 5.8604 PRESSURE: 2527800 -123.083 -73.0859 148.787 -73.0861 -28.6666 13.7407 148.788 13.7409 2.97007 GPRESSURE: 2527800 -65.6544 -7.89214 125.191 -109.009 -32.4947 56.1757 162.414 37.4823 53.5306 PRESSAVG: 2527800 9.73068 -17.3122 -26.2993 -17.3121 19.2911 11.6229 -26.2993 11.6229 3.416 GPRESSAVG: 2527800 9.36873 -17.5135 -26.0671 -17.1302 18.687 9.73538 -27.0798 14.3975 3.97685 TIMING: 2527800 CPU: 8063.75, 0.0031483/step Wall: 8063.75, 0.0031483/step, 2.16201 hours remaining, 232.996094 MB of memory in use. ENERGY: 2527800 4017.6221 20502.4103 14464.2308 259.6942 -203625.2835 2707.8772 0.0000 0.0000 52194.0387 -109479.4102 299.9599 -161673.4489 -109119.8053 299.4105 -49.5931 -14.8728 759038.3412 10.8126 10.6775 PRESSURE: 2528000 41.8045 -287.207 -44.8297 -287.206 -151.775 -144.166 -44.8299 -144.167 -24.9318 GPRESSURE: 2528000 78.7673 -263.844 -109.546 -233.405 -202.478 -261.071 -91.9515 -100.417 79.3445 PRESSAVG: 2528000 7.4988 -4.45358 -16.6029 -4.45356 -22.3204 -12.2019 -16.6028 -12.2019 -1.57708 GPRESSAVG: 2528000 7.58504 -3.23618 -16.6691 -4.04177 -22.5145 -11.856 -16.108 -14.8824 -1.75436 TIMING: 2528000 CPU: 8064.38, 0.00315511/step Wall: 8064.38, 0.00315511/step, 2.16651 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2528000 4060.5537 20583.5259 14534.0113 242.6509 -203727.1648 2599.1294 0.0000 0.0000 52055.7885 -109651.5051 299.1653 -161707.2936 -109293.8750 299.2312 -44.9675 -14.7889 760463.9163 -5.4662 -5.5613 PRESSURE: 2528200 -229.811 91.3221 45.5402 91.3226 271.903 110.695 45.5405 110.696 -491.434 GPRESSURE: 2528200 -209.704 1.28896 86.7604 43.4154 248.128 55.355 226.802 -10.2103 -407.527 PRESSAVG: 2528200 7.44113 -33.8994 20.3238 -33.8994 -28.2762 -12.7532 20.3237 -12.7532 9.19617 GPRESSAVG: 2528200 8.00425 -35.4292 19.3695 -32.3282 -28.6943 -15.0701 20.4362 -11.2365 9.2257 TIMING: 2528200 CPU: 8065.01, 0.0031342/step Wall: 8065.01, 0.0031342/step, 2.15198 hours remaining, 232.996094 MB of memory in use. ENERGY: 2528200 4059.0653 20485.8507 14493.7009 245.3719 -203645.2021 2557.8237 0.0000 0.0000 51961.5913 -109841.7983 298.6240 -161803.3896 -109481.7193 299.3048 -149.7808 -123.0344 760236.0846 -3.8796 -3.8214 LDB: ============= START OF LOAD BALANCING ============== 8077.43 LDB: ============== END OF LOAD BALANCING =============== 8077.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8077.43 LDB: ============= START OF LOAD BALANCING ============== 8077.74 LDB: Largest compute 7059 load 0.036226 is 18.5% of average load 0.195472 LDB: Average compute 0.004403 is 2.3% of average load 0.195472 LDB: TIME 8077.75 LOAD: AVG 0.195472 MAX 0.215415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8077.75 LOAD: AVG 0.195472 MAX 0.215415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: TIME 8077.75 LOAD: AVG 0.195472 MAX 0.215415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: ============== END OF LOAD BALANCING =============== 8077.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8077.75 PRESSURE: 2528400 -16.4328 59.6774 -60.0084 59.6781 -221.534 100.939 -60.0087 100.938 296.583 GPRESSURE: 2528400 2.07262 -69.9537 -149.456 52.5802 -250.511 119.652 51.7454 46.3245 380.612 PRESSAVG: 2528400 60.5999 42.5406 -23.3378 42.5407 -36.25 9.37576 -23.3378 9.37569 1.26466 GPRESSAVG: 2528400 61.2364 41.9259 -22.8642 42.4079 -36.3949 11.7072 -23.0011 8.16094 0.182187 TIMING: 2528400 CPU: 8065.65, 0.00320848/step Wall: 8065.65, 0.00320848/step, 2.2028 hours remaining, 235.679688 MB of memory in use. ENERGY: 2528400 4040.3596 20470.7754 14326.6607 249.1618 -203953.0262 2858.9428 0.0000 0.0000 51978.9498 -110028.1762 298.7237 -162007.1260 -109663.0565 298.5583 19.5385 44.0581 759899.3279 8.5382 8.3412 PRESSURE: 2528600 16.0434 -31.9059 -18.767 -31.9056 -567.541 209.927 -18.7668 209.927 -234.544 GPRESSURE: 2528600 116.106 -76.3209 -45.9686 15.7045 -491.715 185.776 103.136 97.6888 -305.456 PRESSAVG: 2528600 13.0374 -21.7448 -24.2686 -21.7448 -70.506 41.54 -24.2686 41.5401 -10.2658 GPRESSAVG: 2528600 11.4039 -21.4954 -22.8651 -21.8004 -68.5981 40.0384 -24.5378 41.8808 -10.0422 TIMING: 2528600 CPU: 8066.28, 0.00316937/step Wall: 8066.28, 0.00316938/step, 2.17578 hours remaining, 235.679688 MB of memory in use. ENERGY: 2528600 4005.6061 20417.5057 14463.6144 236.8072 -203627.4167 2542.1030 0.0000 0.0000 51939.9070 -110021.8734 298.4994 -161961.7804 -109656.3570 298.2880 -262.0138 -227.0216 761980.4020 -22.5781 -22.4122 PRESSURE: 2528800 316.012 62.1779 64.0702 62.1777 3.40971 -65.3009 64.0707 -65.3016 4.70406 GPRESSURE: 2528800 415.434 72.6664 44.7011 84.1781 -36.9649 -115.602 -40.4642 -37.8883 8.80201 PRESSAVG: 2528800 84.214 -11.3866 4.10525 -11.3866 -84.7625 8.63128 4.10522 8.63132 -3.22206 GPRESSAVG: 2528800 84.1044 -9.87079 2.93626 -12.7766 -85.7669 7.96933 3.95503 8.18569 -2.82503 TIMING: 2528800 CPU: 8066.92, 0.00317063/step Wall: 8066.92, 0.00317063/step, 2.17646 hours remaining, 235.679688 MB of memory in use. ENERGY: 2528800 4031.0095 20609.0688 14400.0054 241.4198 -203621.0039 2423.9159 0.0000 0.0000 52086.6511 -109828.9335 299.3427 -161915.5846 -109467.5909 298.6670 108.0419 129.0903 759418.8635 -1.2569 -1.4958 PRESSURE: 2529000 -87.4841 247.086 3.11553 247.087 -365.681 -116.204 3.11571 -116.205 30.7833 GPRESSURE: 2529000 -116.618 273.721 -104.044 143.213 -260.74 -104.767 -78.9745 -37.8907 45.0591 PRESSAVG: 2529000 28.5758 -47.9444 -25.6842 -47.9444 -48.562 -24.0122 -25.6841 -24.0122 -5.08515 GPRESSAVG: 2529000 28.8622 -50.7536 -24.6614 -47.6706 -48.3518 -23.5022 -27.4056 -23.0613 -5.43867 TIMING: 2529000 CPU: 8067.55, 0.00316594/step Wall: 8067.55, 0.00316594/step, 2.17307 hours remaining, 235.679688 MB of memory in use. ENERGY: 2529000 3966.5344 20528.3307 14450.0088 244.6019 -203395.9724 2498.4615 0.0000 0.0000 52016.2508 -109691.7844 298.9381 -161708.0351 -109326.5055 299.1002 -140.7939 -110.7661 761012.1851 -8.3571 -8.3094 PRESSURE: 2529200 -206.949 -201.405 186.017 -201.404 -2.29194 -56.71 186.017 -56.7102 -183.741 GPRESSURE: 2529200 -194.175 -244.129 169.419 -263.42 -87.9983 -16.8835 209.881 -60.0421 -42.2408 PRESSAVG: 2529200 31.4534 -39.8069 22.0204 -39.8068 -5.63621 -13.3769 22.0204 -13.3769 -15.3332 GPRESSAVG: 2529200 31.7768 -37.9069 20.8894 -39.8995 -6.80456 -12.1072 22.5955 -13.161 -14.6883 TIMING: 2529200 CPU: 8068.19, 0.00319532/step Wall: 8068.19, 0.00319532/step, 2.19305 hours remaining, 235.679688 MB of memory in use. ENERGY: 2529200 3975.9466 20533.6524 14492.3159 250.1322 -203471.9542 2473.7353 0.0000 0.0000 51869.3539 -109876.8178 298.0939 -161746.1717 -109514.6177 299.0856 -130.9939 -108.1380 761439.5699 3.4947 3.4280 PRESSURE: 2529400 140.624 -119.775 -83.7819 -119.775 108.483 -71.8734 -83.7828 -71.875 45.6432 GPRESSURE: 2529400 283.246 -116.2 -162.755 43.2608 125.389 -58.9957 -89.9224 -63.1662 -29.3634 PRESSAVG: 2529400 70.8945 -35.4632 9.42528 -35.4632 -99.845 30.8474 9.42519 30.8475 29.0734 GPRESSAVG: 2529400 71.1322 -36.2954 10.5227 -34.8684 -98.2735 30.0502 12.0483 30.072 27.9061 TIMING: 2529400 CPU: 8068.82, 0.00316895/step Wall: 8068.82, 0.00316896/step, 2.17478 hours remaining, 235.679688 MB of memory in use. ENERGY: 2529400 4033.3599 20516.9166 14508.7920 232.4206 -203668.6386 2621.8752 0.0000 0.0000 52067.8262 -109687.4481 299.2345 -161755.2743 -109331.3369 298.2461 98.2502 126.4239 760653.5255 0.0409 0.2549 PRESSURE: 2529600 177.438 -83.1798 -33.5194 -83.1804 172.414 -146.855 -33.5183 -146.854 136.445 GPRESSURE: 2529600 175.416 -132.96 13.8819 -9.67145 210.522 -130.477 16.3305 -92.5245 177.446 PRESSAVG: 2529600 126.147 -22.8382 -21.0672 -22.8383 -122.486 20.1585 -21.0672 20.1585 -2.09626 GPRESSAVG: 2529600 125.583 -23.2097 -20.7865 -24.8436 -122.769 20.8094 -21.6212 20.1619 -1.50989 TIMING: 2529600 CPU: 8069.46, 0.00316105/step Wall: 8069.46, 0.00316105/step, 2.16918 hours remaining, 235.679688 MB of memory in use. ENERGY: 2529600 3968.3729 20573.4999 14527.9701 244.3028 -203452.8080 2417.9298 0.0000 0.0000 52316.6303 -109404.1022 300.6644 -161720.7325 -109030.4865 299.0035 162.0989 187.7947 759522.5135 0.5215 0.4347 PRESSURE: 2529800 258.046 -88.1357 79.5084 -88.1355 24.3537 -16.2136 79.5087 -16.214 -146.242 GPRESSURE: 2529800 226.821 -98.9092 63.8462 22.2565 131.045 -51.7315 6.89372 38.6777 -150.174 PRESSAVG: 2529800 33.7328 -63.8587 -22.9669 -63.8587 -51.363 -6.91569 -22.9669 -6.91567 6.6926 GPRESSAVG: 2529800 34.6473 -64.1764 -23.3546 -63.2079 -52.1531 -6.70137 -21.9259 -5.7379 6.46055 TIMING: 2529800 CPU: 8070.08, 0.00313808/step Wall: 8070.08, 0.00313808/step, 2.15325 hours remaining, 235.679688 MB of memory in use. ENERGY: 2529800 4011.5347 20557.1011 14575.3937 235.7005 -203386.8427 2654.2183 0.0000 0.0000 51925.9609 -109426.9336 298.4192 -161352.8944 -109059.6205 299.4790 45.3860 69.2307 761552.0683 -3.6459 -3.6817 PRESSURE: 2530000 112.582 -276.73 4.45913 -276.731 -165.584 20.5694 4.45947 20.5691 -84.2931 GPRESSURE: 2530000 122.963 -275.583 22.082 -275.422 -125.737 -8.11247 -91.852 -62.0028 -33.8896 PRESSAVG: 2530000 51.3917 -46.5932 4.38509 -46.5932 -47.8439 -2.37549 4.38511 -2.37544 -6.43185 GPRESSAVG: 2530000 50.3512 -46.3451 3.46355 -45.4339 -46.6566 -3.33365 0.4783 -5.24626 -6.46729 TIMING: 2530000 CPU: 8070.71, 0.0031426/step Wall: 8070.71, 0.0031426/step, 2.15618 hours remaining, 235.679688 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: 2530000 3947.4381 20609.1618 14507.8761 255.0185 -202778.3032 2312.2642 0.0000 0.0000 51944.4233 -109202.1212 298.5253 -161146.5445 -108849.5584 299.5850 -45.7649 -12.2213 760729.8016 -0.9614 -0.9242 PRESSURE: 2530200 -333.375 200.072 -48.0607 200.07 25.9304 12.2969 -48.0592 12.2962 -26.7424 GPRESSURE: 2530200 -247.046 385.095 -9.86844 181.6 77.1972 22.0541 11.2149 22.924 -72.8309 PRESSAVG: 2530200 58.611 -17.7434 8.42801 -17.7433 -52.6477 4.91401 8.42798 4.91404 -12.7593 GPRESSAVG: 2530200 58.6712 -17.4529 8.97752 -18.1563 -52.1656 5.92746 11.4373 7.11679 -13.5519 TIMING: 2530200 CPU: 8071.34, 0.00314016/step Wall: 8071.34, 0.00314016/step, 2.15432 hours remaining, 235.679688 MB of memory in use. ENERGY: 2530200 4072.5797 20392.8105 14499.3422 249.1316 -202754.9315 2067.0264 0.0000 0.0000 52182.5063 -109291.5350 299.8936 -161474.0413 -108916.0598 299.8575 -111.3957 -80.8933 760787.8731 -2.2653 -2.3488 PRESSURE: 2530400 244.085 -123.684 -21.1982 -123.685 -72.0143 -67.0784 -21.1981 -67.0782 199.402 GPRESSURE: 2530400 261.568 -100.858 -43.9648 -69.2416 -36.047 -83.313 -45.1559 -106.788 235.954 PRESSAVG: 2530400 18.7969 -36.6213 -13.1724 -36.6213 -15.1804 -24.5254 -13.1724 -24.5255 -4.50185 GPRESSAVG: 2530400 18.8765 -36.6471 -13.5271 -36.0069 -14.294 -25.3696 -13.2799 -25.929 -4.70251 TIMING: 2530400 CPU: 8071.97, 0.00314037/step Wall: 8071.97, 0.00314037/step, 2.15429 hours remaining, 235.679688 MB of memory in use. ENERGY: 2530400 4017.7986 20451.3219 14560.8913 230.8598 -203234.8268 2529.0951 0.0000 0.0000 52201.7419 -109243.1183 300.0041 -161444.8602 -108870.5214 299.5718 123.8243 153.8250 761239.0744 -0.2951 -0.0400 PRESSURE: 2530600 -203.488 -121.696 -118.418 -121.696 -533.892 39.1097 -118.419 39.1107 -366.255 GPRESSURE: 2530600 -337.847 -172.492 -140.144 -187.687 -454.826 97.5716 -185.923 59.6679 -254.685 PRESSAVG: 2530600 27.5719 -30.6442 -43.6347 -30.6442 -35.6329 -11.0989 -43.6347 -11.0989 7.82014 GPRESSAVG: 2530600 27.4069 -31.0401 -44.4642 -30.8399 -37.0582 -11.2471 -43.635 -10.5499 8.98889 TIMING: 2530600 CPU: 8072.59, 0.00313137/step Wall: 8072.59, 0.00313137/step, 2.14795 hours remaining, 235.679688 MB of memory in use. ENERGY: 2530600 4111.6031 20674.5947 14526.4846 237.0548 -203022.3899 2082.9182 0.0000 0.0000 52154.7026 -109235.0319 299.7338 -161389.7345 -108875.9046 299.8739 -367.8784 -349.1192 761211.6168 -0.0803 -0.2208 PRESSURE: 2530800 -313.003 112.594 -81.1894 112.594 -268.294 13.238 -81.1894 13.2385 -191.29 GPRESSURE: 2530800 -207.045 144.866 -139.18 14.7201 -374.036 13.9066 -8.17837 47.2818 -82.4912 PRESSAVG: 2530800 27.4489 -27.6355 -11.714 -27.6355 -49.45 49.8354 -11.714 49.8354 21.1087 GPRESSAVG: 2530800 28.9154 -26.0348 -11.7443 -29.1863 -49.9926 48.1107 -10.6312 51.6427 20.531 TIMING: 2530800 CPU: 8073.22, 0.00313952/step Wall: 8073.22, 0.00313952/step, 2.15336 hours remaining, 235.679688 MB of memory in use. ENERGY: 2530800 4029.2348 20527.9904 14405.4774 229.2508 -203174.0451 2368.1691 0.0000 0.0000 52266.3863 -109347.5362 300.3756 -161613.9225 -108976.2699 299.6830 -257.5289 -221.1905 762036.9754 -0.2975 -0.1821 PRESSURE: 2531000 -496.067 -118.226 -146.96 -118.226 30.7407 35.4856 -146.959 35.4855 51.6527 GPRESSURE: 2531000 -333.417 -46.5809 -120.262 -134.665 65.8552 3.45423 -57.5804 -85.6434 -62.3524 PRESSAVG: 2531000 18.8446 -10.841 -25.9271 -10.841 -22.8142 50.2642 -25.9271 50.2642 12.6742 GPRESSAVG: 2531000 18.4109 -10.0925 -25.8738 -10.2858 -21.9593 52.4432 -27.1054 48.2748 12.6178 TIMING: 2531000 CPU: 8073.85, 0.00315016/step Wall: 8073.85, 0.00315016/step, 2.16048 hours remaining, 235.679688 MB of memory in use. ENERGY: 2531000 3946.2939 20535.1922 14501.2709 258.3691 -203330.9039 2501.5699 0.0000 0.0000 52197.9708 -109390.2371 299.9825 -161588.2079 -109027.7734 300.1142 -137.8911 -109.9715 761157.2185 2.9016 3.0231 PRESSURE: 2531200 -1.71534 169.879 39.3996 169.878 -216.074 38.2197 39.4003 38.2203 -230.783 GPRESSURE: 2531200 -41.5642 40.0421 92.5477 110.181 -140.443 -20.432 90.3532 103.423 -182.201 PRESSAVG: 2531200 23.1942 -23.0416 3.02598 -23.0416 8.75301 28.0847 3.026 28.0847 16.1052 GPRESSAVG: 2531200 22.4472 -23.0675 4.4393 -21.1595 9.0829 28.6915 3.96319 27.2873 16.5306 TIMING: 2531200 CPU: 8074.48, 0.00315064/step Wall: 8074.48, 0.00315064/step, 2.16064 hours remaining, 235.679688 MB of memory in use. ENERGY: 2531200 4003.2984 20433.3458 14497.2925 255.4034 -203146.2049 2402.7872 0.0000 0.0000 52302.0640 -109252.0137 300.5807 -161554.0777 -108877.6240 300.0048 -149.5242 -121.4028 760356.7114 16.0175 16.0202 PRESSURE: 2531400 15.7332 -203.445 -42.8524 -203.445 130.014 227.175 -42.8521 227.174 257.019 GPRESSURE: 2531400 145.473 -262.829 36.8014 -203.516 81.5882 192.342 -118.766 269.21 269.885 PRESSAVG: 2531400 45.772 -53.9627 21.844 -53.9627 -41.2571 35.3106 21.844 35.3107 -5.45599 GPRESSAVG: 2531400 46.5215 -54.8235 21.6819 -54.977 -41.4925 34.6097 18.7538 36.5152 -5.64074 TIMING: 2531400 CPU: 8075.12, 0.00316815/step Wall: 8075.12, 0.00316815/step, 2.17247 hours remaining, 235.679688 MB of memory in use. ENERGY: 2531400 3964.1255 20621.1053 14479.5918 244.6541 -203175.2879 2541.4326 0.0000 0.0000 52252.8660 -109071.5126 300.2979 -161324.3786 -108716.5080 300.1472 134.2555 165.6489 760188.4389 -0.3137 -0.2039 PRESSURE: 2531600 -21.124 -53.5682 127.132 -53.5669 439.133 159.793 127.132 159.793 173.338 GPRESSURE: 2531600 -18.4434 -8.83719 72.002 7.2656 417.641 129.175 117.126 78.5372 243.125 PRESSAVG: 2531600 4.00636 -48.328 17.6296 -48.328 -7.40227 31.0973 17.6295 31.0973 -4.2782 GPRESSAVG: 2531600 3.55946 -49.0256 15.9923 -49.6059 -8.31178 31.9912 20.6746 31.0063 -3.43994 TIMING: 2531600 CPU: 8075.74, 0.00314651/step Wall: 8075.74, 0.00314651/step, 2.15746 hours remaining, 235.679688 MB of memory in use. ENERGY: 2531600 3981.9459 20671.8887 14507.8377 238.7897 -203289.7378 2669.2501 0.0000 0.0000 52333.7552 -108886.2706 300.7628 -161220.0258 -108523.3288 301.0431 197.1155 214.1075 760971.9967 -2.5580 -2.7308 PRESSURE: 2531800 -4.22305 29.0052 -163.01 29.0058 -183.902 134.547 -163.01 134.547 89.3681 GPRESSURE: 2531800 19.7934 -28.4444 -106.624 -14.0462 -128.401 252.325 -68.166 88.4172 112.288 PRESSAVG: 2531800 -36.9323 -1.80017 32.0759 -1.80017 4.02443 115.74 32.0759 115.739 -14.5748 GPRESSAVG: 2531800 -34.8496 -3.20663 32.8676 0.283302 3.47137 115.67 32.4881 115.497 -16.1566 TIMING: 2531800 CPU: 8076.37, 0.00315074/step Wall: 8076.37, 0.00315074/step, 2.16018 hours remaining, 235.679688 MB of memory in use. ENERGY: 2531800 4042.8117 20611.0937 14550.9951 252.0622 -203328.0878 2617.7792 0.0000 0.0000 52292.3689 -108960.9769 300.5250 -161253.3458 -108603.6006 300.2618 -32.9190 1.2267 760111.0213 -15.8275 -15.8450 PRESSURE: 2532000 -110.174 -19.7611 -87.942 -19.7607 -258.826 -173.306 -87.9422 -173.306 -142.227 GPRESSURE: 2532000 -79.7397 6.5131 -87.5762 33.1279 -253.388 -183.634 -179.121 -164.061 -95.8573 PRESSAVG: 2532000 -1.50317 75.5986 -3.10046 75.5987 25.3868 18.8358 -3.10051 18.8359 -16.1222 GPRESSAVG: 2532000 -4.07302 78.013 -3.15297 73.0815 26.72 18.8563 -4.34826 18.2389 -15.3271 TIMING: 2532000 CPU: 8077.01, 0.00316074/step Wall: 8077.01, 0.00316074/step, 2.16686 hours remaining, 235.679688 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: 2532000 3992.8104 20721.3585 14558.2921 245.1523 -203209.9332 2354.6835 0.0000 0.0000 52198.6303 -109139.0061 299.9862 -161337.6363 -108775.0698 300.6133 -170.4090 -142.9951 759915.0798 2.5871 2.4400 PRESSURE: 2532200 -92.1929 -239.883 93.4677 -239.882 -333.028 290.599 93.4674 290.598 33.888 GPRESSURE: 2532200 -71.3405 -101.738 143.055 -248.14 -294.706 280.322 139.792 224.707 46.4707 PRESSAVG: 2532200 13.1027 -32.7453 -10.3108 -32.7453 4.82676 47.2762 -10.3109 47.2763 -2.82813 GPRESSAVG: 2532200 13.7235 -34.4234 -9.96352 -32.3364 5.23659 44.8063 -11.1293 48.7699 -3.72258 TIMING: 2532200 CPU: 8077.64, 0.00313959/step Wall: 8077.64, 0.00313959/step, 2.15219 hours remaining, 235.679688 MB of memory in use. ENERGY: 2532200 4119.4702 20581.0949 14466.8318 235.0013 -203407.9329 2426.7443 0.0000 0.0000 52146.7580 -109432.0324 299.6881 -161578.7904 -109064.2404 300.1922 -130.4444 -106.5252 759501.9006 5.0338 5.0792 LDB: ============= START OF LOAD BALANCING ============== 8090.05 LDB: ============== END OF LOAD BALANCING =============== 8090.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8090.06 LDB: ============= START OF LOAD BALANCING ============== 8090.37 LDB: Largest compute 7059 load 0.036674 is 18.8% of average load 0.195395 LDB: Average compute 0.004404 is 2.3% of average load 0.195395 LDB: TIME 8090.37 LOAD: AVG 0.195395 MAX 0.215427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.465 MB LDB: TIME 8090.37 LOAD: AVG 0.195395 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.469 MB LDB: TIME 8090.37 LOAD: AVG 0.195395 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.469 MB LDB: ============== END OF LOAD BALANCING =============== 8090.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8090.38 PRESSURE: 2532400 18.673 -37.7669 -284.468 -37.7651 309.201 -123.62 -284.468 -123.619 189.886 GPRESSURE: 2532400 38.1805 94.3029 -266.864 34.2892 324.478 -154.087 -268.637 -47.8099 248.436 PRESSAVG: 2532400 14.6999 -4.88988 79.7954 -4.88986 9.29087 38.3641 79.7955 38.3641 13.4338 GPRESSAVG: 2532400 13.8327 -2.86962 80.0746 -3.31547 9.40136 37.576 80.5633 40.0265 13.9812 TIMING: 2532400 CPU: 8078.27, 0.00319835/step Wall: 8078.27, 0.00319835/step, 2.19229 hours remaining, 234.074219 MB of memory in use. ENERGY: 2532400 3953.4100 20517.0501 14449.4519 251.7650 -203612.3182 2766.2517 0.0000 0.0000 52190.9474 -109483.4421 299.9421 -161674.3895 -109124.3434 299.7941 172.5867 203.6984 757887.6601 12.4748 12.4051 PRESSURE: 2532600 -24.1441 112.081 -72.5607 112.081 -121.895 79.3159 -72.5612 79.3144 110.815 GPRESSURE: 2532600 -2.20239 127.787 -137.527 -53.2901 -21.7553 93.7719 -72.6488 -21.8382 69.5927 PRESSAVG: 2532600 42.9242 -21.1522 -45.1123 -21.1523 -31.8655 42.8226 -45.1123 42.8226 7.31663 GPRESSAVG: 2532600 43.5938 -21.5597 -45.0684 -23.0618 -33.0474 43.3511 -44.6374 39.9957 7.64602 TIMING: 2532600 CPU: 8078.9, 0.0031416/step Wall: 8078.9, 0.0031416/step, 2.15322 hours remaining, 234.277344 MB of memory in use. ENERGY: 2532600 4007.0783 20429.2262 14457.5888 257.7917 -203077.4033 2289.1107 0.0000 0.0000 52204.5557 -109432.0517 300.0203 -161636.6075 -109062.9160 299.5361 -11.7416 15.2117 760503.3201 6.1251 6.0641 PRESSURE: 2532800 -64.5451 -7.6743 -104.549 -7.67468 -65.2499 -173.289 -104.549 -173.289 -5.84909 GPRESSURE: 2532800 -69.8378 19.2181 -224.337 -22.3311 29.9764 -145.757 -0.16759 -144.932 -11.9691 PRESSAVG: 2532800 -47.5823 0.348616 -3.31317 0.348621 80.0115 10.8603 -3.31318 10.8604 2.90975 GPRESSAVG: 2532800 -47.6176 -0.822885 -4.41874 0.0695837 81.3752 13.9465 -3.28514 9.0066 2.11158 TIMING: 2532800 CPU: 8079.53, 0.00314169/step Wall: 8079.53, 0.00314169/step, 2.15311 hours remaining, 234.277344 MB of memory in use. ENERGY: 2532800 4026.8140 20441.4461 14466.7660 260.6799 -203349.4385 2483.0083 0.0000 0.0000 52087.2934 -109583.4308 299.3464 -161670.7242 -109217.5067 299.7156 -45.2147 -17.2769 759066.5257 11.7797 11.9564 PRESSURE: 2533000 -218.14 126.838 19.9889 126.837 -322.881 -93.2016 19.9899 -93.2019 -393.929 GPRESSURE: 2533000 -202.404 57.1533 -19.1729 37.7537 -302.841 -73.431 -9.9862 -126.913 -331.442 PRESSAVG: 2533000 -8.0815 -88.0076 -25.1649 -88.0076 -26.5456 34.6362 -25.1649 34.6361 -2.84037 GPRESSAVG: 2533000 -7.77957 -86.2581 -25.0046 -89.2295 -26.8343 33.1109 -24.7218 34.2914 -2.34049 TIMING: 2533000 CPU: 8080.16, 0.00313857/step Wall: 8080.16, 0.00313857/step, 2.15079 hours remaining, 234.277344 MB of memory in use. ENERGY: 2533000 3961.5956 20344.1608 14521.9270 250.1454 -202984.8938 2225.8734 0.0000 0.0000 51961.9297 -109719.2620 298.6259 -161681.1917 -109357.1895 298.8803 -311.6504 -278.8955 760531.1974 -12.4892 -12.3181 PRESSURE: 2533200 60.991 -66.0784 106.19 -66.0788 -237.767 74.8545 106.189 74.8551 -193.413 GPRESSURE: 2533200 11.3523 -4.1129 15.2871 -58.2453 -114.533 162.469 -0.0866645 7.49979 -181.216 PRESSAVG: 2533200 2.79196 -101.435 6.47419 -101.435 51.3421 46.3621 6.47413 46.362 -4.4391 GPRESSAVG: 2533200 2.25899 -102.821 7.29586 -98.6742 51.7281 47.4494 5.81111 47.0553 -4.00769 TIMING: 2533200 CPU: 8080.79, 0.00314395/step Wall: 8080.79, 0.00314395/step, 2.15431 hours remaining, 234.277344 MB of memory in use. ENERGY: 2533200 3907.3705 20642.4222 14560.2799 246.3748 -203110.5159 2099.6834 0.0000 0.0000 51967.0393 -109687.3458 298.6553 -161654.3852 -109333.6662 298.9920 -123.3962 -94.7989 759933.6957 16.5650 16.6598 PRESSURE: 2533400 -368.742 98.0664 163.096 98.0677 388.157 93.0906 163.097 93.0894 369.49 GPRESSURE: 2533400 -372.477 156.009 161.23 86.0508 513.27 36.8182 193.235 154.755 329.617 PRESSAVG: 2533400 -5.56901 -58.3398 -40.2731 -58.3397 -48.3003 -13.4412 -40.2731 -13.4413 -19.0071 GPRESSAVG: 2533400 -5.46702 -56.8003 -42.341 -59.8712 -47.7096 -13.8929 -39.2102 -12.0714 -19.6114 TIMING: 2533400 CPU: 8081.42, 0.00315054/step Wall: 8081.42, 0.00315054/step, 2.15865 hours remaining, 234.277344 MB of memory in use. ENERGY: 2533400 3957.3139 20483.0511 14496.4342 244.2134 -203355.0903 2493.7373 0.0000 0.0000 51858.8713 -109821.4692 298.0336 -161680.3405 -109460.0678 298.2506 129.6350 156.8033 761778.3401 -24.2921 -24.2627 PRESSURE: 2533600 -120.866 -186.607 -43.9685 -186.607 182.656 -221.203 -43.9684 -221.203 198.576 GPRESSURE: 2533600 -92.653 -265.155 -1.88121 -92.273 213.514 -122.765 17.4581 -161.432 233.427 PRESSAVG: 2533600 -109.126 -21.4618 -16.0433 -21.4618 64.6792 -10.0397 -16.0434 -10.0397 3.40769 GPRESSAVG: 2533600 -108.633 -22.5728 -14.374 -21.4351 63.5633 -8.39827 -15.2451 -10.9621 3.8154 TIMING: 2533600 CPU: 8082.05, 0.00315038/step Wall: 8082.05, 0.00315038/step, 2.15836 hours remaining, 234.277344 MB of memory in use. ENERGY: 2533600 3961.9116 20385.8490 14473.5532 223.4881 -203314.3319 2539.1730 0.0000 0.0000 51950.6460 -109779.7109 298.5611 -161730.3569 -109426.4673 297.9027 86.7888 118.0960 760664.8883 -13.6796 -13.7516 PRESSURE: 2533800 23.9944 -7.75124 76.6378 -7.75117 -178.413 -89.3734 76.6384 -89.3736 -227.571 GPRESSURE: 2533800 142.022 84.7334 146.128 58.9649 -283.998 -94.5589 57.8779 -172.641 -151.119 PRESSAVG: 2533800 -32.9034 -56.5884 -41.3687 -56.5883 7.80001 48.0834 -41.3687 48.0835 -4.57262 GPRESSAVG: 2533800 -32.6733 -55.1797 -41.9025 -55.3344 6.99924 44.3922 -42.5853 48.5383 -4.8589 TIMING: 2533800 CPU: 8082.67, 0.00312125/step Wall: 8082.67, 0.00312125/step, 2.13823 hours remaining, 234.277344 MB of memory in use. ENERGY: 2533800 4045.8867 20319.4304 14486.7986 244.3261 -203362.0956 2391.1784 0.0000 0.0000 52023.0731 -109851.4024 298.9773 -161874.4755 -109484.5068 298.4734 -127.3300 -97.6983 760605.6153 -9.8920 -10.1777 PRESSURE: 2534000 47.0682 -306.313 -52.5143 -306.313 -30.6703 -286.243 -52.515 -286.243 126.617 GPRESSURE: 2534000 96.9496 -276.911 -21.6566 -312.226 -63.5585 -254.536 -126.564 -218.02 204.827 PRESSAVG: 2534000 20.346 -59.4801 10.3944 -59.4801 35.5165 27.6062 10.3944 27.6063 -5.08948 GPRESSAVG: 2534000 19.267 -58.8582 11.1813 -59.2118 35.1493 28.7217 8.23684 30.2592 -3.63248 TIMING: 2534000 CPU: 8083.3, 0.0031541/step Wall: 8083.3, 0.0031541/step, 2.16056 hours remaining, 234.277344 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: 2534000 3975.0512 20405.1250 14448.5744 228.8788 -203393.4465 2645.4226 0.0000 0.0000 51840.7407 -109849.6538 297.9294 -161690.3945 -109499.1419 299.0325 47.6718 79.4060 760523.8516 16.9244 16.9280 PRESSURE: 2534200 258.335 -164.608 19.0064 -164.608 58.648 -223.024 19.0064 -223.025 226.118 GPRESSURE: 2534200 312.93 -103.184 117.836 -167.174 117.398 -194.466 64.6786 -158.86 210.215 PRESSAVG: 2534200 24.9499 -39.7202 -8.6527 -39.7201 -36.2205 21.4373 -8.65276 21.4372 15.804 GPRESSAVG: 2534200 24.1162 -42.2327 -7.46336 -41.0848 -33.841 23.5434 -9.26783 19.1597 13.9222 TIMING: 2534200 CPU: 8083.93, 0.00315504/step Wall: 8083.93, 0.00315504/step, 2.16103 hours remaining, 234.277344 MB of memory in use. ENERGY: 2534200 3994.0737 20359.5875 14503.1866 266.9294 -203546.6068 2578.7539 0.0000 0.0000 52176.4514 -109667.6244 299.8588 -161844.0758 -109312.6579 298.9793 181.0338 213.5145 757618.5677 1.5111 1.3991 PRESSURE: 2534400 91.4999 -151.382 265.888 -151.383 348.225 -41.6824 265.888 -41.6835 -3.90356 GPRESSURE: 2534400 100.442 -71.6599 232.545 -108.131 380.691 12.6659 253.617 -115.186 30.4337 PRESSAVG: 2534400 -14.5615 -5.77472 26.5722 -5.77469 -3.05735 54.0989 26.5722 54.0989 4.92325 GPRESSAVG: 2534400 -13.3255 -4.31492 25.0284 -4.83633 -5.00395 53.4806 28.6657 54.0047 5.14691 TIMING: 2534400 CPU: 8084.56, 0.00314947/step Wall: 8084.56, 0.00314947/step, 2.15704 hours remaining, 234.277344 MB of memory in use. ENERGY: 2534400 3982.9218 20254.8914 14559.9093 245.0707 -203186.4400 2583.5413 0.0000 0.0000 52035.7191 -109524.3864 299.0500 -161560.1055 -109156.6579 298.8018 145.2737 170.5223 760810.0563 -4.2319 -4.3942 PRESSURE: 2534600 -182.201 -309.939 -196.41 -309.938 -498.24 399.209 -196.41 399.209 46.5004 GPRESSURE: 2534600 -125.563 -196.173 -266.381 -337.914 -456.492 399.782 -161.41 284.373 36.8704 PRESSAVG: 2534600 54.6698 -54.0615 -38.6507 -54.0615 -17.8485 64.7447 -38.6507 64.7447 -13.3794 GPRESSAVG: 2534600 54.8147 -54.8229 -38.41 -56.4523 -18.4817 62.2092 -40.7155 66.5367 -13.1078 TIMING: 2534600 CPU: 8085.19, 0.00314165/step Wall: 8085.19, 0.00314165/step, 2.15151 hours remaining, 234.277344 MB of memory in use. ENERGY: 2534600 3985.5920 20489.6952 14490.5070 220.6090 -203208.4850 2467.9850 0.0000 0.0000 51923.1489 -109630.9478 298.4031 -161554.0967 -109277.5648 298.9380 -211.3138 -181.7282 760274.5281 7.8140 7.7418 PRESSURE: 2534800 143.903 -21.6072 -164.146 -21.6066 -39.95 -200.998 -164.146 -200.996 -284.49 GPRESSURE: 2534800 141.046 -60.6902 -224.919 -97.5555 49.6898 -202.494 -223.124 -72.4489 -269.667 PRESSAVG: 2534800 -57.3381 11.0262 -28.855 11.0262 22.3147 16.405 -28.855 16.4049 5.66343 GPRESSAVG: 2534800 -57.6494 10.7581 -28.2007 12.6928 22.3652 17.4606 -28.6054 16.1425 5.61768 TIMING: 2534800 CPU: 8085.82, 0.00312127/step Wall: 8085.82, 0.00312127/step, 2.13738 hours remaining, 234.277344 MB of memory in use. ENERGY: 2534800 4050.9190 20279.9688 14519.2954 255.6226 -203106.7136 2311.1879 0.0000 0.0000 52174.5735 -109515.1464 299.8480 -161689.7199 -109155.2956 299.3196 -60.1789 -26.3103 759959.3975 -9.7867 -9.8888 PRESSURE: 2535000 -222.599 135.865 -102.396 135.865 20.7476 -144.988 -102.396 -144.987 -403.22 GPRESSURE: 2535000 -148.277 60.7404 -130.126 137.215 52.5992 -114.045 -35.9584 -173.281 -407.624 PRESSAVG: 2535000 -53.6481 -17.3611 -55.8233 -17.361 -4.23716 7.67532 -55.8233 7.67527 -4.03394 GPRESSAVG: 2535000 -53.006 -18.6804 -57.7478 -17.7651 -5.32621 7.83067 -54.3437 8.54309 -3.54226 TIMING: 2535000 CPU: 8086.44, 0.00312467/step Wall: 8086.44, 0.00312467/step, 2.13953 hours remaining, 234.277344 MB of memory in use. ENERGY: 2535000 3968.5666 20398.7584 14498.0298 232.7083 -202905.7519 2345.9345 0.0000 0.0000 51645.4270 -109816.3272 296.8070 -161461.7543 -109459.7972 298.7719 -201.6906 -167.7673 759872.8521 -20.6397 -20.6248 PRESSURE: 2535200 71.5932 -102.089 39.179 -102.09 -68.4945 -107.609 39.1796 -107.61 -238.447 GPRESSURE: 2535200 158.339 -67.7022 -58.671 -61.7977 -106.551 -30.8366 159.546 -150.913 -183.294 PRESSAVG: 2535200 25.5004 -54.2385 -40.9432 -54.2385 27.5668 22.0608 -40.9432 22.0609 -4.78185 GPRESSAVG: 2535200 24.7665 -53.1191 -41.3928 -54.5738 27.934 22.8998 -40.4692 22.4229 -4.27388 TIMING: 2535200 CPU: 8087.07, 0.00314559/step Wall: 8087.07, 0.00314559/step, 2.15368 hours remaining, 234.277344 MB of memory in use. ENERGY: 2535200 4025.4281 20533.9723 14466.4628 225.6844 -203523.5956 2383.2929 0.0000 0.0000 51940.5453 -109948.2097 298.5030 -161888.7550 -109601.9022 298.4327 -78.4494 -43.8354 758578.8121 16.0951 16.1422 PRESSURE: 2535400 -236.696 -183.395 -80.0077 -183.394 -0.644056 3.69512 -80.0062 3.69533 -595.714 GPRESSURE: 2535400 -248.511 -262.641 -153.597 -223.845 11.7323 -25.9974 -140.761 -4.91139 -518.849 PRESSAVG: 2535400 -23.6189 -55.3867 -3.80149 -55.3868 6.9637 31.4937 -3.80149 31.4937 -1.60675 GPRESSAVG: 2535400 -22.5607 -56.4481 -3.58173 -55.5574 6.40392 31.9073 -3.74769 29.5838 -2.26407 TIMING: 2535400 CPU: 8087.7, 0.0031559/step Wall: 8087.7, 0.0031559/step, 2.16056 hours remaining, 234.277344 MB of memory in use. ENERGY: 2535400 4015.9651 20361.5062 14502.8745 240.4573 -203074.3641 2202.7367 0.0000 0.0000 51882.8922 -109867.9321 298.1717 -161750.8243 -109514.4071 298.3682 -277.6844 -251.8758 759429.9556 -6.0873 -6.1403 PRESSURE: 2535600 58.5041 -106.457 -211.912 -106.456 30.301 -60.0292 -211.911 -60.0304 126.649 GPRESSURE: 2535600 -40.6824 -91.159 -212.14 -101.175 72.2251 -79.1487 -162.235 -40.5026 279.58 PRESSAVG: 2535600 -31.956 -45.8254 -86.6243 -45.8253 67.3958 3.99434 -86.6243 3.99435 -0.893088 GPRESSAVG: 2535600 -33.7344 -45.0385 -85.2363 -45.4669 68.699 3.57531 -88.4054 4.29538 -0.372867 TIMING: 2535600 CPU: 8088.33, 0.0031414/step Wall: 8088.33, 0.0031414/step, 2.15046 hours remaining, 234.277344 MB of memory in use. ENERGY: 2535600 3987.7306 20382.4793 14579.9282 247.7571 -203215.1418 2372.8323 0.0000 0.0000 51638.6787 -110005.7356 296.7682 -161644.4143 -109646.2017 298.1444 71.8181 103.7075 760433.2319 11.5156 11.5306 PRESSURE: 2535800 -41.1493 3.44343 185.585 3.44364 52.7112 107.907 185.585 107.907 216.217 GPRESSURE: 2535800 -36.3624 22.0275 161.381 62.2653 61.7282 93.24 161.758 141.474 294.674 PRESSAVG: 2535800 -4.58053 -46.1716 -35.6059 -46.1716 13.282 -4.01657 -35.606 -4.0166 0.687952 GPRESSAVG: 2535800 -4.08462 -46.3786 -34.4228 -46.5624 12.2874 -4.23046 -36.2568 -2.41109 1.59814 TIMING: 2535800 CPU: 8088.96, 0.00313978/step Wall: 8088.96, 0.00313978/step, 2.14918 hours remaining, 234.277344 MB of memory in use. ENERGY: 2535800 3967.7735 20294.3585 14466.0108 240.1100 -203247.3902 2372.6409 0.0000 0.0000 51799.5133 -110106.9833 297.6925 -161906.4965 -109745.8949 297.8812 75.9263 106.6801 759670.7295 3.1298 3.2670 PRESSURE: 2536000 5.03641 156.257 223.003 156.256 -513.287 134.291 223.004 134.292 106.992 GPRESSURE: 2536000 -24.3671 127.673 203.568 72.033 -372.785 138.591 61.0626 154.104 77.406 PRESSAVG: 2536000 10.3907 52.4244 -43.8055 52.4245 -5.12109 -30.8649 -43.8055 -30.8648 -9.95607 GPRESSAVG: 2536000 9.5817 51.6095 -46.8506 51.3597 -3.22372 -31.4916 -41.7117 -31.8049 -11.5615 TIMING: 2536000 CPU: 8089.59, 0.00315183/step Wall: 8089.59, 0.00315182/step, 2.15725 hours remaining, 234.277344 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: 2536000 3994.9662 20369.0202 14490.6757 236.1192 -203687.7620 2420.7553 0.0000 0.0000 51978.3341 -110197.8913 298.7202 -162176.2254 -109831.8419 297.6342 -133.7530 -106.5819 758871.2021 -1.5622 -1.7345 PRESSURE: 2536200 -5.13886 -100.523 -178.893 -100.523 79.0965 241.343 -178.893 241.342 -136.569 GPRESSURE: 2536200 117.412 0.300386 -104.636 -68.9476 -25.3921 234.036 -218.887 234.595 -54.5979 PRESSAVG: 2536200 8.53944 18.9296 -28.3369 18.9296 31.2649 29.4431 -28.3369 29.4431 10.2286 GPRESSAVG: 2536200 10.5385 22.7771 -24.706 17.8385 29.6249 29.0257 -31.613 29.441 10.6901 TIMING: 2536200 CPU: 8090.22, 0.00313785/step Wall: 8090.22, 0.00313785/step, 2.14751 hours remaining, 234.277344 MB of memory in use. ENERGY: 2536200 4017.5798 20368.6740 14440.9193 241.3789 -203425.1164 2401.2865 0.0000 0.0000 51654.0796 -110301.1984 296.8567 -161955.2780 -109929.1443 297.8985 -20.8703 12.4740 759892.1535 16.6777 16.9512 LDB: ============= START OF LOAD BALANCING ============== 8102.64 LDB: ============== END OF LOAD BALANCING =============== 8102.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8102.64 LDB: ============= START OF LOAD BALANCING ============== 8102.96 LDB: Largest compute 7031 load 0.036677 is 18.8% of average load 0.195410 LDB: Average compute 0.004408 is 2.3% of average load 0.195410 LDB: TIME 8102.96 LOAD: AVG 0.19541 MAX 0.218053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 8102.96 LOAD: AVG 0.19541 MAX 0.218053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 8102.96 LOAD: AVG 0.19541 MAX 0.218053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 8102.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8102.97 PRESSURE: 2536400 -196.573 -62.742 -160.419 -62.742 -100.102 -49.9985 -160.418 -49.9987 62.8765 GPRESSURE: 2536400 -144.984 -81.0724 -109.719 -128.645 -116.389 -62.9225 -157.346 -157.639 135.17 PRESSAVG: 2536400 40.4678 -24.212 -11.3554 -24.212 -30.4719 -5.4981 -11.3554 -5.4981 -32.613 GPRESSAVG: 2536400 39.3283 -28.3099 -12.3294 -22.3687 -30.374 -4.97131 -9.63021 -5.32529 -31.8564 TIMING: 2536400 CPU: 8090.86, 0.0032344/step Wall: 8090.86, 0.0032344/step, 2.21341 hours remaining, 235.613281 MB of memory in use. ENERGY: 2536400 3982.2798 20458.4930 14460.4072 254.1205 -203426.8116 2395.0870 0.0000 0.0000 51860.3611 -110016.0632 298.0422 -161876.4243 -109657.3447 297.6451 -77.9328 -42.0677 760353.5121 -7.5390 -7.6341 PRESSURE: 2536600 152.706 -31.2329 121.762 -31.2322 324.484 182.429 121.762 182.427 -122.278 GPRESSURE: 2536600 122.635 -86.1296 78.1125 -58.946 336.563 193.288 131.855 219.738 -16.0745 PRESSAVG: 2536600 -73.4315 -47.7643 -14.8175 -47.7643 31.0776 36.2973 -14.8176 36.2973 1.83554 GPRESSAVG: 2536600 -72.6143 -47.7772 -16.5096 -46.0251 32.1802 35.9128 -13.2064 35.4824 -0.262863 TIMING: 2536600 CPU: 8091.49, 0.00314993/step Wall: 8091.49, 0.00314994/step, 2.15543 hours remaining, 235.941406 MB of memory in use. ENERGY: 2536600 3932.4507 20451.9447 14486.3238 245.9336 -203646.8278 2455.0492 0.0000 0.0000 51960.4249 -110114.7009 298.6173 -162075.1258 -109756.7441 298.2797 118.3039 147.7079 760099.7486 -13.5061 -13.5656 PRESSURE: 2536800 -310.197 105.282 166.001 105.282 211.035 -262.518 166 -262.517 521.972 GPRESSURE: 2536800 -199.25 113.312 123.288 132.644 179.459 -249.253 175.942 -258.795 524.832 PRESSAVG: 2536800 8.75274 0.724161 37.296 0.724138 -45.3661 -4.15567 37.296 -4.15569 -2.25422 GPRESSAVG: 2536800 8.35235 1.39632 38.2199 -0.138132 -46.4412 -1.75542 36.3757 -3.01671 -0.187495 TIMING: 2536800 CPU: 8092.12, 0.00315663/step Wall: 8092.12, 0.00315663/step, 2.15984 hours remaining, 235.941406 MB of memory in use. ENERGY: 2536800 3931.6947 20488.7398 14404.3236 247.5669 -203990.3162 2622.2968 0.0000 0.0000 52254.4438 -110041.2506 300.3070 -162295.6944 -109679.3450 298.3711 140.9365 168.3469 759687.7515 -12.9559 -12.7588 PRESSURE: 2537000 355.674 -32.8299 230.456 -32.8299 341.867 139.569 230.457 139.568 306.421 GPRESSURE: 2537000 360.596 26.234 112.831 34.8758 337.994 92.086 265.738 110.357 392.215 PRESSAVG: 2537000 46.0977 -2.03759 -12.2505 -2.03755 -54.3669 29.5282 -12.2506 29.5282 0.59542 GPRESSAVG: 2537000 45.9126 -1.80311 -13.5588 -2.56371 -53.0197 27.9382 -12.484 28.1248 -0.612194 TIMING: 2537000 CPU: 8092.76, 0.00315921/step Wall: 8092.76, 0.00315921/step, 2.16143 hours remaining, 235.941406 MB of memory in use. ENERGY: 2537000 3972.1819 20525.4496 14504.4061 255.4075 -204223.9911 2822.2686 0.0000 0.0000 52174.9516 -109969.3257 299.8502 -162144.2773 -109602.6561 299.0089 334.6538 363.6017 756285.2943 -2.5579 -2.5731 PRESSURE: 2537200 187.185 -136.773 59.0708 -136.772 200.755 231.047 59.0712 231.046 141.739 GPRESSURE: 2537200 300.77 -112.902 64.3582 -61.7244 233.056 201.125 32.4652 205.985 95.5522 PRESSAVG: 2537200 71.2438 -18.8528 0.44337 -18.8528 -33.7758 12.4324 0.443424 12.4325 19.3213 GPRESSAVG: 2537200 70.8344 -17.559 1.8345 -19.0847 -34.8971 11.6554 0.24587 12.4326 21.0943 TIMING: 2537200 CPU: 8093.39, 0.0031461/step Wall: 8093.39, 0.0031461/step, 2.15228 hours remaining, 235.941406 MB of memory in use. ENERGY: 2537200 3963.8636 20682.9140 14483.9684 230.5849 -203834.1900 2754.8319 0.0000 0.0000 51789.2210 -109928.8061 297.6334 -161718.0272 -109566.0175 298.3578 176.5596 209.7928 758383.0903 18.9298 19.0105 PRESSURE: 2537400 -524.087 -223.687 39.2013 -223.686 -219.699 -15.1245 39.2017 -15.1242 134.069 GPRESSURE: 2537400 -478.158 -205.65 -55.3087 -260.647 -190.881 54.0205 39.3082 -108.811 133.375 PRESSAVG: 2537400 36.3277 -48.7004 -32.3407 -48.7004 -49.0915 -1.17883 -32.3407 -1.1789 0.611496 GPRESSAVG: 2537400 37.2392 -49.037 -31.9243 -48.4761 -48.3754 0.00865399 -30.8366 -2.43361 -0.635006 TIMING: 2537400 CPU: 8094.02, 0.0031716/step Wall: 8094.02, 0.0031716/step, 2.16955 hours remaining, 235.941406 MB of memory in use. ENERGY: 2537400 4022.0022 20535.6632 14465.0556 240.1341 -203384.7470 2162.8636 0.0000 0.0000 52062.2573 -109896.7710 299.2025 -161959.0283 -109537.8064 298.2424 -203.2393 -178.5545 759312.6986 -4.0508 -3.9238 PRESSURE: 2537600 -61.9137 -178.253 273.35 -178.252 -199.51 -89.6155 273.35 -89.6155 258.767 GPRESSURE: 2537600 -3.61681 -140.809 233.858 -129.569 -141.285 -171.973 261.657 -137.316 235.143 PRESSAVG: 2537600 37.6839 -73.8218 -13.8924 -73.8218 -23.3135 -4.23294 -13.8924 -4.23289 -2.86449 GPRESSAVG: 2537600 38.2828 -75.6426 -15.9 -73.6179 -24.0638 -4.76098 -15.9888 -3.36533 -2.13699 TIMING: 2537600 CPU: 8094.65, 0.00315952/step Wall: 8094.65, 0.00315952/step, 2.16111 hours remaining, 235.941406 MB of memory in use. ENERGY: 2537600 3984.8628 20465.1154 14539.9081 263.3629 -203318.9047 2352.2109 0.0000 0.0000 51853.6171 -109859.8276 298.0034 -161713.4446 -109509.5146 298.8442 -0.8856 30.0806 761054.0927 3.8353 4.0273 PRESSURE: 2537800 150.557 -131.61 16.414 -131.61 -211.016 26.9147 16.4142 26.9152 -208.869 GPRESSURE: 2537800 175.034 -80.6229 71.0233 -184.37 -144.568 43.9086 -97.5274 61.806 -203.898 PRESSAVG: 2537800 56.3308 -59.5586 -21.1637 -59.5586 -60.8094 21.0731 -21.1636 21.0731 -16.6509 GPRESSAVG: 2537800 56.8394 -58.563 -19.6114 -61.1499 -61.0399 20.1036 -21.914 19.5069 -16.9952 TIMING: 2537800 CPU: 8095.28, 0.00314841/step Wall: 8095.28, 0.00314841/step, 2.15334 hours remaining, 235.941406 MB of memory in use. ENERGY: 2537800 4040.1527 20577.5350 14435.0685 236.3097 -203373.9092 2404.7998 0.0000 0.0000 51914.0315 -109766.0120 298.3507 -161680.0434 -109407.8092 299.0579 -89.7759 -57.8108 760263.5222 -7.0432 -7.0652 PRESSURE: 2538000 80.0125 -127.208 50.2848 -127.208 201.014 -258.237 50.2848 -258.236 454.982 GPRESSURE: 2538000 123.706 -170.044 109.233 -184.19 225.082 -241.633 49.5186 -223.134 484.618 PRESSAVG: 2538000 57.4953 -78.8168 13.0139 -78.8168 -55.8154 78.0848 13.0139 78.0849 6.9562 GPRESSAVG: 2538000 53.8958 -79.6608 13.2169 -77.7189 -52.6276 81.4876 13.5165 77.0972 7.76756 TIMING: 2538000 CPU: 8095.91, 0.00314179/step Wall: 8095.91, 0.00314179/step, 2.14864 hours remaining, 236.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2538000 4030.6507 20704.2620 14482.4519 239.2443 -203265.8560 2472.5919 0.0000 0.0000 51881.4680 -109455.1873 298.1635 -161336.6553 -109101.2757 298.9731 245.3361 277.8021 762160.8507 2.8787 3.0119 PRESSURE: 2538200 249.661 -19.4429 -117.285 -19.4434 365.13 324.585 -117.285 324.585 222.145 GPRESSURE: 2538200 272.654 4.63198 -192.777 -72.4686 355.625 318.881 -48.6911 278.774 279.113 PRESSAVG: 2538200 17.9692 -33.5389 -1.44062 -33.5388 -18.9402 -9.64206 -1.44066 -9.64209 6.67756 GPRESSAVG: 2538200 20.4464 -33.8553 -2.38943 -31.9539 -20.9379 -12.0107 -0.272995 -8.38913 6.07906 TIMING: 2538200 CPU: 8096.54, 0.0031607/step Wall: 8096.54, 0.0031607/step, 2.16139 hours remaining, 236.011719 MB of memory in use. ENERGY: 2538200 3972.0547 20435.4902 14506.5023 236.7359 -203446.5596 2534.4960 0.0000 0.0000 52386.9225 -109374.3578 301.0684 -161761.2803 -109004.6071 299.3350 278.9785 302.4640 760354.8943 1.9022 1.8625 PRESSURE: 2538400 227.947 311.87 50.297 311.87 416.174 117.76 50.2975 117.759 418.39 GPRESSURE: 2538400 352.74 324.62 126.186 180.359 363.534 224.516 -6.1664 55.6659 433.328 PRESSAVG: 2538400 26.5534 -15.282 54.9483 -15.2819 -87.2366 40.3082 54.9483 40.3084 2.02266 GPRESSAVG: 2538400 26.5413 -14.4683 56.2837 -17.1263 -88.0719 39.8459 54.5384 42.516 2.80929 TIMING: 2538400 CPU: 8097.18, 0.00317512/step Wall: 8097.18, 0.00317512/step, 2.17108 hours remaining, 236.011719 MB of memory in use. ENERGY: 2538400 3972.6965 20218.4188 14554.5839 264.3223 -203623.2823 2794.3817 0.0000 0.0000 52375.6718 -109443.2073 301.0037 -161818.8791 -109068.3478 299.8098 354.1704 383.2003 759119.8684 -19.5535 -19.5738 PRESSURE: 2538600 51.8564 -107.948 117.706 -107.948 -204.289 -40.2413 117.705 -40.2419 46.4319 GPRESSURE: 2538600 75.6706 -57.8049 81.4143 -45.9931 -55.114 48.0774 -109.777 -77.9971 -49.4645 PRESSAVG: 2538600 54.2494 -14.9323 12.2042 -14.9323 -3.07813 9.0823 12.2042 9.08234 19.4441 GPRESSAVG: 2538600 54.8459 -16.1006 11.4091 -14.3836 -2.83137 8.85121 12.687 7.26026 18.7654 TIMING: 2538600 CPU: 8097.81, 0.00316476/step Wall: 8097.81, 0.00316476/step, 2.16382 hours remaining, 236.011719 MB of memory in use. ENERGY: 2538600 4061.6828 20398.0934 14529.0200 248.2794 -203614.6500 2645.8541 0.0000 0.0000 52039.8067 -109691.9135 299.0735 -161731.7202 -109327.3070 299.8455 -35.3334 -9.6359 759713.9244 23.5385 23.5933 PRESSURE: 2538800 -336.933 -60.8749 -239.232 -60.8749 70.6588 -111.69 -239.232 -111.69 121.231 GPRESSURE: 2538800 -350.447 -102.85 -261.039 -78.1594 176.146 -125.423 -246.716 -120.953 116.774 PRESSAVG: 2538800 -47.6146 -26.0148 -48.8686 -26.0148 58.629 25.0528 -48.8687 25.0528 -9.30951 GPRESSAVG: 2538800 -48.2628 -24.4017 -49.2853 -26.4394 58.823 24.6421 -49.3573 26.2166 -8.824 TIMING: 2538800 CPU: 8098.45, 0.00318326/step Wall: 8098.45, 0.00318326/step, 2.17629 hours remaining, 236.011719 MB of memory in use. ENERGY: 2538800 4001.1542 20473.0633 14476.3779 244.3371 -203599.4179 2474.0958 0.0000 0.0000 52186.3165 -109744.0731 299.9155 -161930.3897 -109391.4556 299.6158 -48.3476 -19.1759 761233.6804 0.5683 0.5787 PRESSURE: 2539000 274.098 -77.5196 7.21687 -77.5205 46.8859 -33.4398 7.21815 -33.4391 554.623 GPRESSURE: 2539000 255.455 -158.611 -26.4368 -35.0147 164.702 -0.514012 100.304 -35.1776 537.29 PRESSAVG: 2539000 4.33961 -105.798 -4.4821 -105.798 1.12022 -41.7104 -4.48207 -41.7104 21.2035 GPRESSAVG: 2539000 5.03681 -107.7 -4.8048 -103.761 1.5657 -42.6427 -5.73011 -42.3204 20.3389 TIMING: 2539000 CPU: 8099.08, 0.00316558/step Wall: 8099.08, 0.00316558/step, 2.16403 hours remaining, 236.011719 MB of memory in use. ENERGY: 2539000 3954.0291 20510.5255 14439.9163 235.5097 -203837.9131 2565.8043 0.0000 0.0000 52347.3565 -109784.7716 300.8410 -162132.1281 -109407.1621 299.2062 291.8691 319.1491 759678.0163 8.8878 8.9805 PRESSURE: 2539200 -31.0617 138.391 122.07 138.391 -74.9412 385.857 122.07 385.856 -154.957 GPRESSURE: 2539200 19.3047 65.8091 282.408 109.218 -87.2589 452.002 97.6338 254.813 -113.5 PRESSAVG: 2539200 -19.8406 -58.3859 -7.14771 -58.386 47.8749 27.9011 -7.14772 27.9011 12.5571 GPRESSAVG: 2539200 -20.5974 -59.1524 -6.50652 -60.3651 47.6371 28.284 -6.82196 28.5789 13.3322 TIMING: 2539200 CPU: 8099.71, 0.00316127/step Wall: 8099.71, 0.00316127/step, 2.1609 hours remaining, 236.011719 MB of memory in use. ENERGY: 2539200 4022.7165 20546.5364 14533.6094 238.4171 -203204.0650 2124.5428 0.0000 0.0000 51938.4140 -109799.8288 298.4908 -161738.2428 -109429.9295 299.2394 -86.9867 -60.4847 760396.0661 13.5305 13.4573 PRESSURE: 2539400 46.9434 -38.6514 30.7349 -38.6512 -351.528 -40.8735 30.7347 -40.8733 -217.162 GPRESSURE: 2539400 41.4967 -93.7167 -2.56488 -80.4039 -247.873 34.6078 9.74805 17.8483 -214.678 PRESSAVG: 2539400 2.21085 -21.1247 -20.3776 -21.1248 12.2482 49.1755 -20.3776 49.1755 7.97753 GPRESSAVG: 2539400 2.27877 -21.2673 -19.4157 -20.2705 12.2752 50.2851 -20.5086 46.7531 8.27025 TIMING: 2539400 CPU: 8100.34, 0.00315762/step Wall: 8100.34, 0.00315762/step, 2.15823 hours remaining, 236.011719 MB of memory in use. ENERGY: 2539400 3987.1264 20524.2470 14572.5658 273.8740 -203114.1223 2201.7336 0.0000 0.0000 52165.3936 -109389.1819 299.7952 -161554.5755 -109019.8121 299.4060 -173.9154 -140.3512 761261.6188 7.4789 7.6081 PRESSURE: 2539600 -294.838 -34.9745 98.5148 -34.9755 -297.339 110.734 98.5144 110.733 -33.7899 GPRESSURE: 2539600 -261.511 82.2472 67.3905 0.782832 -242.536 108.371 77.9266 74.7099 -46.3772 PRESSAVG: 2539600 45.3274 -28.5484 -31.3965 -28.5485 10.8206 16.6299 -31.3965 16.6299 -12.4028 GPRESSAVG: 2539600 44.4078 -27.2436 -30.9676 -28.9303 11.5883 16.69 -30.1934 17.3407 -12.1003 TIMING: 2539600 CPU: 8100.97, 0.00314691/step Wall: 8100.97, 0.00314691/step, 2.15074 hours remaining, 236.011719 MB of memory in use. ENERGY: 2539600 3969.3595 20506.8436 14581.9151 250.2322 -203300.0134 2218.6949 0.0000 0.0000 52216.0902 -109556.8780 300.0866 -161772.9681 -109197.3971 299.9653 -208.6558 -183.4746 760007.1350 14.5817 14.6319 PRESSURE: 2539800 -61.2642 -34.4604 -1.01996 -34.4609 204.549 -193.236 -1.01992 -193.236 71.4981 GPRESSURE: 2539800 11.7655 46.1312 -41.967 51.0414 203.126 -156.438 43.4302 -140.086 95.1145 PRESSAVG: 2539800 -20.5505 -7.05872 6.66229 -7.05872 28.3685 80.1054 6.66226 80.1054 1.85956 GPRESSAVG: 2539800 -18.3472 -5.43248 6.19542 -9.55719 28.1945 81.3344 4.93388 82.1559 0.166417 TIMING: 2539800 CPU: 8101.6, 0.00315624/step Wall: 8101.6, 0.00315624/step, 2.15694 hours remaining, 236.011719 MB of memory in use. ENERGY: 2539800 4017.8964 20395.9358 14573.1193 251.0795 -203093.6959 2236.6370 0.0000 0.0000 52069.4427 -109549.5852 299.2438 -161619.0279 -109182.4634 299.6717 71.5943 103.3353 759029.8148 3.2259 3.3379 PRESSURE: 2540000 62.1431 -153.519 -53.0886 -153.519 -37.9826 -126.342 -53.0893 -126.341 -63.166 GPRESSURE: 2540000 25.4209 -64.547 -57.1879 -265.592 41.987 -32.3453 -119.393 -22.5443 -29.9703 PRESSAVG: 2540000 -2.05566 -23.4417 -50.161 -23.4417 18.2575 -0.37895 -50.161 -0.378933 21.1936 GPRESSAVG: 2540000 -1.99991 -28.3442 -51.2519 -20.031 16.6534 -0.05479 -46.7502 -2.30062 23.172 TIMING: 2540000 CPU: 8102.23, 0.00313337/step Wall: 8102.23, 0.00313337/step, 2.14114 hours remaining, 236.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2540000 4037.6119 20581.7409 14534.0703 264.0616 -203078.7190 2234.1364 0.0000 0.0000 52020.5188 -109406.5792 298.9626 -161427.0980 -109053.7056 299.4254 -13.0018 12.4792 760728.7644 12.4651 12.6085 PRESSURE: 2540200 205.31 -300.74 17.1101 -300.739 -108.891 -148.003 17.1107 -148.002 298.606 GPRESSURE: 2540200 269.239 -319.142 -0.389696 -193.209 -70.4263 -105.791 -40.9196 -37.1843 269.7 PRESSAVG: 2540200 41.5451 -14.6109 26.5963 -14.6108 -19.6006 6.44001 26.5964 6.44008 20.4088 GPRESSAVG: 2540200 41.4159 -11.125 25.8373 -17.6205 -18.4966 4.9879 26.0665 9.45084 19.1183 TIMING: 2540200 CPU: 8102.86, 0.0031486/step Wall: 8102.86, 0.0031486/step, 2.15137 hours remaining, 236.011719 MB of memory in use. ENERGY: 2540200 4004.7459 20548.1722 14542.2803 254.9448 -203275.8066 2423.2789 0.0000 0.0000 52054.8599 -109447.5247 299.1600 -161502.3846 -109084.9203 299.4431 131.6751 156.1707 759453.1469 14.1177 14.0126 LDB: ============= START OF LOAD BALANCING ============== 8115.28 LDB: ============== END OF LOAD BALANCING =============== 8115.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.28 LDB: ============= START OF LOAD BALANCING ============== 8115.6 LDB: Largest compute 7059 load 0.034714 is 17.8% of average load 0.195442 LDB: Average compute 0.004393 is 2.2% of average load 0.195442 LDB: TIME 8115.6 LOAD: AVG 0.195442 MAX 0.216748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 8115.6 LOAD: AVG 0.195442 MAX 0.216748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: TIME 8115.6 LOAD: AVG 0.195442 MAX 0.216748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: ============== END OF LOAD BALANCING =============== 8115.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.61 PRESSURE: 2540400 -400.39 49.4986 62.6833 49.498 130.593 -227.713 62.683 -227.712 23.0839 GPRESSURE: 2540400 -307.126 -35.5417 -10.507 -16.0031 78.5703 -171.558 166.191 -192.051 50.0403 PRESSAVG: 2540400 49.8478 -55.0691 22.5144 -55.0692 -16.1198 6.17218 22.5144 6.17223 29.7361 GPRESSAVG: 2540400 49.6904 -55.163 24.3424 -54.1722 -15.4108 6.89783 20.6731 1.67325 29.92 TIMING: 2540400 CPU: 8103.5, 0.00320606/step Wall: 8103.5, 0.00320606/step, 2.19045 hours remaining, 232.140625 MB of memory in use. ENERGY: 2540400 3894.3555 20545.6797 14493.7730 250.0158 -202815.7439 1954.4775 0.0000 0.0000 51951.5649 -109725.8774 298.5664 -161677.4423 -109356.3352 299.0550 -82.2376 -59.5051 760295.6069 21.1547 21.3999 PRESSURE: 2540600 -133.838 -96.8195 -15.0583 -96.8193 -110.629 -149.991 -15.0582 -149.99 -220.538 GPRESSURE: 2540600 -92.507 21.5914 51.1584 -102.554 -78.0786 -64.3335 -49.1047 -167.282 -195.051 PRESSAVG: 2540600 -69.8535 -15.5473 21.4185 -15.5472 47.5856 -53.8374 21.4185 -53.8374 11.5626 GPRESSAVG: 2540600 -69.9765 -12.847 21.8503 -18.3279 47.1161 -53.3024 21.1485 -52.612 12.3113 TIMING: 2540600 CPU: 8104.13, 0.0031291/step Wall: 8104.13, 0.0031291/step, 2.1377 hours remaining, 232.343750 MB of memory in use. ENERGY: 2540600 3927.4239 20446.2555 14492.5861 247.1277 -203210.0263 2285.6484 0.0000 0.0000 51971.3990 -109839.5856 298.6803 -161810.9847 -109477.3118 298.6713 -155.0014 -121.8790 758612.9544 -3.5684 -3.5164 PRESSURE: 2540800 -76.4144 31.1624 122.482 31.1633 135.056 162.506 122.482 162.506 -20.744 GPRESSURE: 2540800 38.0643 12.407 104.213 -88.4783 93.7167 170.888 44.5121 41.8773 -1.8354 PRESSAVG: 2540800 2.97099 -5.04531 24.0233 -5.04541 23.6837 -0.937088 24.0233 -0.937152 -7.67438 GPRESSAVG: 2540800 2.75521 -7.52681 24.0007 -1.28151 23.7946 -0.543625 24.7474 -0.0476913 -7.52188 TIMING: 2540800 CPU: 8104.75, 0.00313419/step Wall: 8104.75, 0.00313419/step, 2.141 hours remaining, 232.343750 MB of memory in use. ENERGY: 2540800 3927.3953 20445.7121 14493.5769 234.4733 -203474.2187 2476.6174 0.0000 0.0000 52122.7967 -109773.6469 299.5504 -161896.4436 -109414.9036 298.7674 12.6326 43.3152 758917.7132 6.3268 6.3426 PRESSURE: 2541000 -40.0452 -108.833 72.6577 -108.833 -65.3146 49.0578 72.6571 49.057 239.018 GPRESSURE: 2541000 2.68412 -229.186 126.313 -90.1998 4.17519 -34.1091 18.7396 85.4037 212.529 PRESSAVG: 2541000 -3.65285 -43.1204 10.2043 -43.1204 -1.37428 25.5046 10.2043 25.5046 3.00506 GPRESSAVG: 2541000 -3.43836 -45.2632 9.27494 -40.416 -0.570473 23.4544 10.5414 27.0527 2.39833 TIMING: 2541000 CPU: 8105.38, 0.00314062/step Wall: 8105.38, 0.00314062/step, 2.14522 hours remaining, 232.343750 MB of memory in use. ENERGY: 2541000 4012.4369 20446.6251 14526.5474 231.1130 -203206.0746 2405.0877 0.0000 0.0000 51916.3213 -109667.9432 298.3638 -161584.2645 -109303.9313 299.2529 44.5528 73.1293 759414.0626 -0.6740 -0.5368 PRESSURE: 2541200 -29.1941 332.187 112.525 332.185 -284.377 -31.4749 112.525 -31.4749 249.948 GPRESSURE: 2541200 32.47 349.806 107.408 246.532 -191.647 29.7413 21.6351 -22.471 200.473 PRESSAVG: 2541200 9.87223 -35.9657 44.6024 -35.9658 24.1158 25.2018 44.6024 25.2016 24.5995 GPRESSAVG: 2541200 10.8947 -33.8906 45.3223 -38.1504 23.1754 26.2107 43.9744 24.0092 24.4059 TIMING: 2541200 CPU: 8106.01, 0.00314029/step Wall: 8106.01, 0.00314029/step, 2.14482 hours remaining, 232.343750 MB of memory in use. ENERGY: 2541200 3843.0547 20531.4320 14501.7366 237.3145 -203602.0224 2578.9571 0.0000 0.0000 52025.8092 -109883.7182 298.9930 -161909.5274 -109522.2544 298.8050 -21.2075 13.7652 758707.0456 19.5292 19.4920 PRESSURE: 2541400 -418.368 -99.7152 48.6451 -99.7158 -583.665 141.791 48.6447 141.792 -133.849 GPRESSURE: 2541400 -426.711 -122.087 66.6003 19.6118 -524.349 149.416 102.405 163.214 -99.7853 PRESSAVG: 2541400 41.57 -45.7337 23.6707 -45.7337 -24.942 31.7053 23.6708 31.7052 10.5092 GPRESSAVG: 2541400 42.0405 -45.8372 22.7686 -45.8218 -25.6024 30.3057 24.1666 30.6031 10.5435 TIMING: 2541400 CPU: 8106.63, 0.00311744/step Wall: 8106.63, 0.00311744/step, 2.12904 hours remaining, 232.343750 MB of memory in use. ENERGY: 2541400 4040.2580 20499.3789 14536.4807 225.8216 -203185.8007 2079.8838 0.0000 0.0000 51937.8226 -109866.1551 298.4874 -161803.9777 -109502.8685 298.9568 -378.6274 -350.2815 761886.5489 9.0457 8.9939 PRESSURE: 2541600 -17.2378 30.1807 -86.609 30.1808 -263.553 -260.9 -86.6089 -260.9 336.264 GPRESSURE: 2541600 -14.5079 44.4933 -108.198 -33.5927 -178.301 -256.838 -187.55 -156.429 334.696 PRESSAVG: 2541600 -14.9731 -37.5955 14.8858 -37.5956 -4.21802 -40.1484 14.8858 -40.1483 21.0859 GPRESSAVG: 2541600 -15.2543 -40.0274 14.906 -38.2645 -3.32715 -39.2829 16.7403 -39.1407 20.6029 TIMING: 2541600 CPU: 8107.26, 0.00314494/step Wall: 8107.26, 0.00314494/step, 2.14764 hours remaining, 232.343750 MB of memory in use. ENERGY: 2541600 3991.9417 20620.6712 14541.3767 250.9205 -203682.5689 2676.3173 0.0000 0.0000 51789.8534 -109811.4880 297.6370 -161601.3414 -109453.5711 298.8600 18.4911 47.2957 760659.0632 0.6316 0.6738 PRESSURE: 2541800 -333.865 115.966 -56.6788 115.965 -326.344 -101.973 -56.6783 -101.973 384.948 GPRESSURE: 2541800 -252.386 116.085 -148.373 28.5798 -214.727 -16.3732 -146.894 -83.5255 297.028 PRESSAVG: 2541800 29.3106 0.382041 -12.6122 0.382012 -48.7371 3.33823 -12.6123 3.33829 0.813843 GPRESSAVG: 2541800 27.8145 1.43782 -12.5737 1.48736 -46.7153 4.64068 -14.3827 3.72087 -0.180891 TIMING: 2541800 CPU: 8107.89, 0.00315242/step Wall: 8107.89, 0.00315242/step, 2.15258 hours remaining, 232.343750 MB of memory in use. ENERGY: 2541800 4036.9151 20463.4211 14500.4857 253.3446 -203467.6097 2380.1213 0.0000 0.0000 51869.1408 -109964.1811 298.0927 -161833.3220 -109603.6235 298.3869 -91.7537 -56.6951 760768.3164 -6.2042 -6.3606 PRESSURE: 2542000 8.867 120.112 66.2786 120.112 -310.332 -80.0031 66.279 -80.0035 40.9755 GPRESSURE: 2542000 84.9889 245.989 -3.27685 180.363 -327.749 -77.7197 51.5079 -52.8724 91.3376 PRESSAVG: 2542000 36.8316 -49.0937 35.148 -49.0937 -26.7651 70.3228 35.148 70.3229 -5.08517 GPRESSAVG: 2542000 38.2014 -48.0234 34.846 -48.4683 -28.8301 71.6359 36.0943 69.5051 -3.87711 TIMING: 2542000 CPU: 8108.52, 0.00313543/step Wall: 8108.52, 0.00313543/step, 2.14081 hours remaining, 232.343750 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: 2542000 4016.6100 20455.1752 14473.0186 233.7508 -203713.5272 2503.0397 0.0000 0.0000 52189.4654 -109842.4675 299.9336 -162031.9329 -109479.4725 298.5701 -86.8297 -50.4743 759767.3714 1.6604 1.8314 PRESSURE: 2542200 2.67534 -118.671 -4.0172 -118.671 170.385 -126.297 -4.01809 -126.296 -375.304 GPRESSURE: 2542200 2.75985 -198.441 34.1216 -86.3319 210.263 -58.5103 -42.6782 -119.764 -322.518 PRESSAVG: 2542200 28.8189 -19.5569 69.7139 -19.5569 -15.5074 39.0104 69.7139 39.0105 -1.30489 GPRESSAVG: 2542200 28.8282 -20.2913 71.2858 -22.8388 -15.4484 37.153 68.6922 42.0605 -1.43073 TIMING: 2542200 CPU: 8109.15, 0.00313213/step Wall: 8109.15, 0.00313213/step, 2.13838 hours remaining, 232.343750 MB of memory in use. ENERGY: 2542200 4037.0535 20448.6706 14510.5055 226.7964 -203721.0996 2608.3266 0.0000 0.0000 52287.9674 -109601.7796 300.4997 -161889.7470 -109244.8129 299.3968 -67.4145 -36.4983 761559.3073 4.0022 3.9830 PRESSURE: 2542400 -38.778 9.66095 147.876 9.66093 59.3211 187.669 147.875 187.669 204.913 GPRESSURE: 2542400 51.4913 145.862 213.409 31.7688 97.6669 104.338 85.4592 220.95 177.573 PRESSAVG: 2542400 83.4621 -51.4408 20.4389 -51.4408 -68.3533 66.4164 20.4388 66.4164 -4.02177 GPRESSAVG: 2542400 83.5835 -51.0536 19.6014 -49.3909 -68.8622 68.0466 22.2235 63.1601 -3.28679 TIMING: 2542400 CPU: 8109.78, 0.00314462/step Wall: 8109.78, 0.00314462/step, 2.14673 hours remaining, 232.343750 MB of memory in use. ENERGY: 2542400 3895.8152 20410.6307 14509.7852 226.2727 -203943.3502 2653.2286 0.0000 0.0000 52359.0690 -109888.5490 300.9083 -162247.6180 -109531.0055 299.3303 75.1520 108.9105 758608.2486 3.6957 3.8115 PRESSURE: 2542600 -175.392 -170.382 248.338 -170.382 195.265 -47.2006 248.338 -47.2005 -99.1703 GPRESSURE: 2542600 8.5375 -184.114 144.598 -87.22 206.71 -28.2078 209.218 13.2506 -190.998 PRESSAVG: 2542600 31.0722 -22.2396 -2.75291 -22.2397 -38.113 2.43382 -2.75289 2.43383 -24.5002 GPRESSAVG: 2542600 31.1447 -21.5062 -2.80024 -21.5265 -38.3724 0.688724 -5.24025 4.28706 -24.5045 TIMING: 2542600 CPU: 8110.41, 0.00315402/step Wall: 8110.41, 0.00315401/step, 2.15297 hours remaining, 232.343750 MB of memory in use. ENERGY: 2542600 3969.8113 20718.8327 14459.6629 231.8604 -203257.9083 2261.5332 0.0000 0.0000 51907.2202 -109708.9877 298.3115 -161616.2079 -109354.8268 298.9287 -26.4323 8.0834 759754.6822 -10.5137 -10.5774 PRESSURE: 2542800 -238.831 -12.7646 1.75856 -12.7655 -252.723 -370.018 1.75877 -370.019 38.6634 GPRESSURE: 2542800 -249.969 26.7052 48.9962 -25.6037 -227.808 -397.733 40.4692 -249.4 92.3779 PRESSAVG: 2542800 -64.1366 2.18286 30.7578 2.18287 39.786 27.0306 30.7578 27.0307 19.2572 GPRESSAVG: 2542800 -65.8149 0.457025 31.0292 -1.28548 41.0276 25.8233 33.5839 26.0553 19.6422 TIMING: 2542800 CPU: 8111.03, 0.00313814/step Wall: 8111.03, 0.00313815/step, 2.14196 hours remaining, 232.343750 MB of memory in use. ENERGY: 2542800 3960.6947 20623.5588 14484.0507 230.0468 -203139.4928 2237.3828 0.0000 0.0000 51951.9772 -109651.7817 298.5687 -161603.7589 -109293.1968 298.9277 -150.9633 -128.4663 761902.5495 -1.6978 -1.7151 PRESSURE: 2543000 536.462 -122.619 40.8976 -122.618 3.04616 -65.2373 40.897 -65.2363 114.614 GPRESSURE: 2543000 651.421 155.139 -45.2119 -191.625 -58.7043 -57.1386 76.5897 -215.324 123.68 PRESSAVG: 2543000 73.4441 -26.6443 23.2526 -26.6444 -67.6639 -14.9328 23.2526 -14.9327 -13.2618 GPRESSAVG: 2543000 74.9185 -25.8722 24.0974 -25.1903 -69.2179 -14.6753 18.7797 -15.8738 -12.9795 TIMING: 2543000 CPU: 8111.66, 0.00311051/step Wall: 8111.66, 0.00311051/step, 2.12292 hours remaining, 232.343750 MB of memory in use. ENERGY: 2543000 3941.6923 20467.0390 14509.9752 245.5614 -203466.8210 2581.0768 0.0000 0.0000 51957.6252 -109763.8511 298.6012 -161721.4762 -109396.2581 298.9721 218.0405 238.7989 758680.4515 -2.4939 -2.4263 PRESSURE: 2543200 -448.73 -60.7598 -77.985 -60.7601 -208.844 70.71 -77.985 70.71 -346.066 GPRESSURE: 2543200 -431.9 -72.3361 -32.2017 -102.159 -138.689 -13.4547 30.2784 127.232 -326.098 PRESSAVG: 2543200 80.6471 -26.4502 40.9959 -26.4502 -8.63465 19.5675 40.9958 19.5675 11.9921 GPRESSAVG: 2543200 80.4856 -26.6437 40.636 -23.9433 -7.30939 20.4948 41.4396 19.2325 11.111 TIMING: 2543200 CPU: 8112.28, 0.00312324/step Wall: 8112.28, 0.00312324/step, 2.13144 hours remaining, 232.343750 MB of memory in use. ENERGY: 2543200 3903.9361 20540.4838 14508.8339 238.7491 -203191.8401 2173.2864 0.0000 0.0000 51588.2772 -110238.2737 296.4785 -161826.5509 -109864.7460 298.4579 -334.5468 -298.8959 761706.3687 28.0015 28.0957 PRESSURE: 2543400 -45.4855 47.6651 36.4322 47.6645 63.788 81.8756 36.432 81.8749 -76.4469 GPRESSURE: 2543400 -22.9627 -53.3997 -8.39875 -18.0427 48.7665 73.8046 -21.9532 52.0445 19.751 PRESSAVG: 2543400 -14.1048 -111.715 30.3232 -111.715 -6.38231 29.2373 30.3232 29.2373 -14.4149 GPRESSAVG: 2543400 -13.5457 -112.363 29.1723 -112.281 -6.14945 28.5465 31.6864 29.519 -14.7408 TIMING: 2543400 CPU: 8112.91, 0.00313347/step Wall: 8112.91, 0.00313347/step, 2.13825 hours remaining, 232.343750 MB of memory in use. ENERGY: 2543400 3901.4688 20386.0200 14439.6872 248.1887 -203906.6886 2588.6033 0.0000 0.0000 51860.3252 -110482.3955 298.0420 -162342.7206 -110115.6000 296.9067 -19.3815 15.1849 760007.3726 -11.6340 -11.4786 PRESSURE: 2543600 -14.409 -69.9288 -70.2255 -69.9297 43.567 31.021 -70.2255 31.0207 127.811 GPRESSURE: 2543600 50.3321 -142.996 52.2277 -54.199 41.3195 92.5045 -93.5815 -31.252 166.04 PRESSAVG: 2543600 42.4493 -61.264 24.9573 -61.264 -49.9214 -1.49341 24.9574 -1.49348 -16.2483 GPRESSAVG: 2543600 42.2785 -61.1219 27.0051 -63.7371 -50.3813 0.264571 23.8854 -2.72419 -16.2384 TIMING: 2543600 CPU: 8113.54, 0.00314061/step Wall: 8113.54, 0.00314061/step, 2.14294 hours remaining, 232.343750 MB of memory in use. ENERGY: 2543600 3988.0401 20366.6932 14487.4038 244.8750 -203436.0917 2365.1340 0.0000 0.0000 51600.9476 -110382.9979 296.5514 -161983.9455 -110021.1240 297.2934 52.3231 85.8971 759726.0865 -7.9068 -8.1137 PRESSURE: 2543800 284.974 13.2365 202.367 13.2373 -130.285 -279.43 202.368 -279.43 -11.2142 GPRESSURE: 2543800 239.765 114.702 199.387 -134.802 -58.7103 -194.821 68.9771 -216.097 42.9136 PRESSAVG: 2543800 31.6258 -49.0051 62.8253 -49.0051 -52.3975 -13.5026 62.8253 -13.5026 -4.72493 GPRESSAVG: 2543800 30.3669 -48.2162 59.7337 -48.4491 -51.0957 -15.0963 63.8842 -11.7788 -5.14433 TIMING: 2543800 CPU: 8114.16, 0.0031354/step Wall: 8114.16, 0.0031354/step, 2.13922 hours remaining, 232.343750 MB of memory in use. ENERGY: 2543800 3937.0358 20430.8316 14467.1798 239.4738 -203559.7032 2607.6258 0.0000 0.0000 51794.4565 -110083.0999 297.6635 -161877.5564 -109726.8226 297.5120 47.8247 74.6561 760912.3562 -8.4989 -8.6243 PRESSURE: 2544000 1.51595 -55.8862 -170.133 -55.8854 -678.49 -38.8185 -170.133 -38.8176 -193.102 GPRESSURE: 2544000 -76.3666 -14.1609 -126.264 -118.108 -518.671 100.213 -100.424 -124.548 -181.792 PRESSAVG: 2544000 37.221 -85.3005 -4.95192 -85.3005 -23.1223 -20.1409 -4.95193 -20.1409 7.79324 GPRESSAVG: 2544000 37.5079 -84.8536 -3.19665 -84.7469 -23.9911 -20.1822 -4.19051 -20.0259 8.48916 TIMING: 2544000 CPU: 8114.79, 0.00313173/step Wall: 8114.79, 0.00313173/step, 2.13654 hours remaining, 232.343750 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: 2544000 3988.6628 20539.9532 14520.4604 240.6536 -203537.1219 2559.5395 0.0000 0.0000 51718.5206 -109969.3318 297.2270 -161687.8524 -109616.4849 298.1539 -290.0254 -258.9431 761530.2605 7.2973 7.3353 PRESSURE: 2544200 25.1355 77.1929 5.68995 77.1926 -34.9921 -86.7633 5.68985 -86.7623 127.808 GPRESSURE: 2544200 25.6724 -102.613 -27.9265 65.1441 51.4337 -49.565 -171.961 -68.5415 124.915 PRESSAVG: 2544200 90.761 -41.0539 -42.9345 -41.054 -100.997 -8.48361 -42.9346 -8.48356 11.5594 GPRESSAVG: 2544200 90.992 -42.2437 -42.5677 -41.7476 -100.98 -8.04705 -44.1514 -8.21466 11.6822 TIMING: 2544200 CPU: 8115.41, 0.00311938/step Wall: 8115.41, 0.00311938/step, 2.12794 hours remaining, 232.343750 MB of memory in use. ENERGY: 2544200 3927.2159 20427.9702 14465.9847 246.5409 -203268.0186 2340.0548 0.0000 0.0000 51990.9520 -109869.3001 298.7927 -161860.2521 -109509.5189 298.6906 39.3170 67.3403 760650.8368 0.4411 0.5648 LDB: ============= START OF LOAD BALANCING ============== 8127.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8127.83 LDB: =============== DONE WITH MIGRATION ================ 8127.83 LDB: ============= START OF LOAD BALANCING ============== 8128.15 LDB: Largest compute 7059 load 0.035795 is 18.3% of average load 0.195469 LDB: Average compute 0.004389 is 2.2% of average load 0.195469 LDB: TIME 8128.15 LOAD: AVG 0.195469 MAX 0.213053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8128.15 LOAD: AVG 0.195469 MAX 0.213053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: TIME 8128.15 LOAD: AVG 0.195469 MAX 0.213053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: ============== END OF LOAD BALANCING =============== 8128.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8128.16 PRESSURE: 2544400 -272.694 117.382 -105.032 117.383 225.318 -160.259 -105.032 -160.259 86.1683 GPRESSURE: 2544400 -279.56 129.174 -144.587 134.747 233.401 -117.26 139.876 -107.795 181.613 PRESSAVG: 2544400 4.75323 -25.9762 -18.4172 -25.9762 4.64938 -39.4416 -18.4173 -39.4416 -14.0032 GPRESSAVG: 2544400 4.69981 -25.7879 -19.8428 -24.2065 4.5883 -39.3145 -17.2737 -39.3531 -13.7329 TIMING: 2544400 CPU: 8116.05, 0.00318916/step Wall: 8116.05, 0.00318916/step, 2.17536 hours remaining, 233.050781 MB of memory in use. ENERGY: 2544400 4000.7148 20322.8002 14548.0969 239.2877 -203160.2422 2357.6273 0.0000 0.0000 51854.6290 -109837.0862 298.0093 -161691.7153 -109478.3491 298.3908 12.9308 45.1514 760654.4134 -1.5335 -1.4816 PRESSURE: 2544600 177.999 175.396 139.071 175.395 -32.2174 -18.496 139.071 -18.496 194.868 GPRESSURE: 2544600 335.474 128.331 158.199 132.617 -121.604 25.2928 125.468 37.0397 213.585 PRESSAVG: 2544600 42.0236 -33.5232 -44.5994 -33.5232 -46.0322 34.3147 -44.5994 34.3147 -2.37681 GPRESSAVG: 2544600 43.093 -33.3395 -44.0546 -34.8978 -46.2748 35.359 -44.2654 34.8959 -3.39804 TIMING: 2544600 CPU: 8116.68, 0.00313738/step Wall: 8116.68, 0.00313738/step, 2.13987 hours remaining, 233.117188 MB of memory in use. ENERGY: 2544600 3915.6703 20450.0870 14444.8268 252.7416 -203698.4914 2745.8574 0.0000 0.0000 52242.5830 -109646.7254 300.2388 -161889.3084 -109274.8018 298.6279 113.5500 142.4848 759801.2956 -2.1284 -2.1933 PRESSURE: 2544800 -59.4805 111.515 25.1416 111.515 -158.487 -89.8183 25.1413 -89.8178 -271.902 GPRESSURE: 2544800 -146.609 145.33 -20.1513 53.3307 -60.5431 -170.919 -25.6756 -37.5043 -207.02 PRESSAVG: 2544800 9.66564 -16.6568 -13.2268 -16.6567 -18.2809 43.7777 -13.2268 43.7777 -0.699041 GPRESSAVG: 2544800 7.92609 -16.1171 -14.7232 -16.6904 -17.7928 42.6146 -14.2285 43.7759 0.457789 TIMING: 2544800 CPU: 8117.3, 0.00312491/step Wall: 8117.3, 0.00312491/step, 2.13119 hours remaining, 233.117188 MB of memory in use. ENERGY: 2544800 3984.0461 20498.1149 14510.4070 244.6036 -203168.5966 2387.9011 0.0000 0.0000 51914.7031 -109628.8208 298.3545 -161543.5239 -109268.6335 299.1047 -163.2899 -138.0574 760636.1519 -3.1048 -3.1363 PRESSURE: 2545000 52.2455 -236.127 -249.912 -236.127 187.648 258.62 -249.912 258.619 21.1036 GPRESSURE: 2545000 -18.4174 -262.408 -286.565 -195.374 287.699 270.705 -250.145 171.962 49.0725 PRESSAVG: 2545000 -1.91699 -40.0693 -18.3066 -40.0693 -11.0126 -38.4112 -18.3066 -38.4112 -18.0277 GPRESSAVG: 2545000 -2.47389 -41.4689 -18.0523 -39.5523 -9.41384 -37.3473 -17.5557 -39.8983 -18.5802 TIMING: 2545000 CPU: 8117.94, 0.00316872/step Wall: 8117.94, 0.00316872/step, 2.16089 hours remaining, 233.117188 MB of memory in use. ENERGY: 2545000 4026.8689 20210.5654 14504.1984 262.5763 -203692.5442 2825.0924 0.0000 0.0000 51985.1920 -109878.0508 298.7596 -161863.2428 -109511.4508 298.4742 86.9989 106.1179 760887.3274 -10.3191 -10.1560 PRESSURE: 2545200 93.9774 31.6574 -269.047 31.6576 -213.443 12.9458 -269.047 12.9461 316.568 GPRESSURE: 2545200 92.4816 200.502 -266.306 39.3006 -115.59 -6.18472 -378.164 -5.09934 313.491 PRESSAVG: 2545200 26.5627 -41.6093 13.5304 -41.6093 -21.4915 -18.0154 13.5304 -18.0155 4.32083 GPRESSAVG: 2545200 28.3733 -39.0389 14.1255 -40.8144 -23.346 -16.8547 12.9366 -19.2884 3.70429 TIMING: 2545200 CPU: 8118.57, 0.00314547/step Wall: 8118.57, 0.00314547/step, 2.14486 hours remaining, 233.117188 MB of memory in use. ENERGY: 2545200 4029.9578 20450.1430 14502.1537 244.9007 -203473.3336 2635.5926 0.0000 0.0000 51686.7182 -109923.8676 297.0443 -161610.5858 -109579.4858 298.2964 65.7010 96.7940 761397.8094 3.1307 2.9105 PRESSURE: 2545400 -87.7477 261.712 -121.827 261.711 -137.321 28.8614 -121.827 28.8605 -15.6113 GPRESSURE: 2545400 -60.6331 192.033 -70.8919 246.287 -105.514 40.8601 -85.2141 -118.614 -2.11617 PRESSAVG: 2545400 29.6593 -45.2846 34.1895 -45.2846 9.43985 -0.739305 34.1895 -0.739306 20.0434 GPRESSAVG: 2545400 29.1777 -46.5842 34.9582 -46.5604 9.65705 -1.8894 33.9082 -1.60783 20.5594 TIMING: 2545400 CPU: 8119.19, 0.00314175/step Wall: 8119.19, 0.00314175/step, 2.14215 hours remaining, 233.320312 MB of memory in use. ENERGY: 2545400 3970.2586 20430.2661 14472.6151 244.8986 -203458.7992 2470.8510 0.0000 0.0000 51961.7596 -109908.1502 298.6249 -161869.9099 -109547.1125 298.7592 -80.2268 -56.0877 761225.0096 19.7142 19.7981 PRESSURE: 2545600 56.0333 98.6909 -38.9667 98.6908 443.746 -6.50483 -38.9673 -6.50539 192.506 GPRESSURE: 2545600 47.068 72.9536 -16.4741 100.288 464.615 3.71519 -57.2981 26.4324 279.576 PRESSAVG: 2545600 19.9043 -1.13008 -47.1517 -1.13007 -55.421 -3.15228 -47.1517 -3.15226 -8.26861 GPRESSAVG: 2545600 18.4983 -1.18712 -46.4551 0.832834 -52.8127 -4.8674 -49.256 -0.0120654 -9.63233 TIMING: 2545600 CPU: 8119.82, 0.00313915/step Wall: 8119.82, 0.00313915/step, 2.1402 hours remaining, 233.320312 MB of memory in use. ENERGY: 2545600 3923.3633 20548.2205 14534.4974 241.4209 -203799.3535 2766.6795 0.0000 0.0000 51662.9880 -110122.1840 296.9079 -161785.1720 -109752.8428 298.7158 230.7615 263.7532 760281.3952 -14.5951 -14.6489 PRESSURE: 2545800 82.2267 -216.95 -114.503 -216.949 180.551 163.891 -114.504 163.892 238.537 GPRESSURE: 2545800 108.602 -254.966 -160.132 -104.65 160.368 170.478 -148.843 196.959 308.78 PRESSAVG: 2545800 -24.0103 -48.2179 -24.4875 -48.2179 -19.0484 40.5659 -24.4876 40.5658 33.2832 GPRESSAVG: 2545800 -23.1072 -48.2227 -25.8266 -50.9124 -21.6452 42.302 -23.3563 40.3425 34.7851 TIMING: 2545800 CPU: 8120.45, 0.0031353/step Wall: 8120.45, 0.0031353/step, 2.1374 hours remaining, 233.320312 MB of memory in use. ENERGY: 2545800 3903.5485 20448.8822 14475.2457 256.2888 -203702.0923 2623.8229 0.0000 0.0000 52234.7970 -109759.5072 300.1941 -161994.3042 -109406.9640 298.5756 167.1047 192.5833 760851.4225 -3.2585 -3.3224 PRESSURE: 2546000 -159.3 -186.755 -130.64 -186.755 -302.024 -116.409 -130.641 -116.407 219.644 GPRESSURE: 2546000 -40.2717 -205.022 -73.1107 -224.393 -227.435 -152.365 -31.6165 43.6606 121.778 PRESSAVG: 2546000 49.8294 -70.2894 -79.1557 -70.2893 -80.8073 -11.6251 -79.1556 -11.6251 12.5454 GPRESSAVG: 2546000 50.7887 -71.2823 -78.2422 -68.3419 -82.2199 -12.9654 -79.6639 -11.5533 12.8756 TIMING: 2546000 CPU: 8121.08, 0.0031344/step Wall: 8121.08, 0.0031344/step, 2.13662 hours remaining, 233.320312 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: 2546000 4051.4386 20453.2153 14457.8182 219.2985 -203390.3110 2241.7759 0.0000 0.0000 51940.2957 -110026.4687 298.5016 -161966.7645 -109666.1095 298.8719 -80.5602 -48.6428 761953.8528 -6.1442 -6.1852 PRESSURE: 2546200 -21.2627 -9.28433 -71.8237 -9.28466 158.958 -188.462 -71.825 -188.462 61.5845 GPRESSURE: 2546200 93.1803 -16.0403 -62.1956 -117.55 96.3373 -291.044 -77.8991 -71.4723 107.092 PRESSAVG: 2546200 41.4692 -64.1543 -14.1369 -64.1543 -68.3244 21.8761 -14.1369 21.8761 14.3776 GPRESSAVG: 2546200 41.2813 -63.8285 -13.6238 -63.4218 -68.3358 22.3823 -12.3142 22.4904 14.0978 TIMING: 2546200 CPU: 8121.71, 0.0031529/step Wall: 8121.71, 0.0031529/step, 2.14905 hours remaining, 233.320312 MB of memory in use. ENERGY: 2546200 3937.1897 20490.9575 14491.1948 235.6990 -203696.3643 2619.8936 0.0000 0.0000 51875.6988 -110045.7309 298.1304 -161921.4297 -109691.3553 298.3899 66.4265 98.8697 760905.6145 -4.1592 -4.3189 PRESSURE: 2546400 51.0103 -78.0615 -35.0717 -78.0616 -139.365 -39.6435 -35.0714 -39.6418 58.2908 GPRESSURE: 2546400 30.3698 -77.4209 -98.9867 -194.241 -34.7818 -5.60273 111.897 -112.436 52.7714 PRESSAVG: 2546400 93.5706 -26.5943 -63.6847 -26.5943 -36.7356 16.8989 -63.6847 16.8988 -10.2026 GPRESSAVG: 2546400 92.3646 -25.786 -63.9046 -29.2152 -33.9592 17.0601 -64.2614 16.1136 -11.3813 TIMING: 2546400 CPU: 8122.34, 0.00315394/step Wall: 8122.34, 0.00315394/step, 2.14958 hours remaining, 233.320312 MB of memory in use. ENERGY: 2546400 3967.2576 20411.1828 14500.8945 251.4834 -203891.6752 2667.2970 0.0000 0.0000 51909.5874 -110183.9725 298.3251 -162093.5599 -109817.6417 298.7061 -10.0214 16.1198 760210.3215 15.5441 15.6747 PRESSURE: 2546600 -234.268 -117.747 208.974 -117.747 -185.382 -25.2008 208.974 -25.2006 478.57 GPRESSURE: 2546600 -162.509 -135.429 116.221 -40.7719 -167.776 -81.3214 266.357 116.728 471.727 PRESSAVG: 2546600 -6.09643 -17.0457 -28.6804 -17.0457 47.1751 29.286 -28.6804 29.2859 10.3363 GPRESSAVG: 2546600 -5.83038 -17.9516 -28.6371 -14.7319 44.6836 29.8064 -29.4565 29.5444 12.3452 TIMING: 2546600 CPU: 8122.97, 0.00313773/step Wall: 8122.97, 0.00313773/step, 2.13836 hours remaining, 233.320312 MB of memory in use. ENERGY: 2546600 3979.5292 20490.2858 14464.3033 239.8955 -203520.6434 2245.7589 0.0000 0.0000 51762.3559 -110338.5147 297.4790 -162100.8706 -109975.5566 297.7656 19.6400 47.1471 759184.8044 17.1383 17.0661 PRESSURE: 2546800 -248.361 -118.77 -30.7864 -118.77 -343.523 72.3938 -30.7874 72.394 -335.145 GPRESSURE: 2546800 -151.268 -46.5435 -31.9808 -145.558 -313.718 149.71 -90.6398 142.153 -379.69 PRESSAVG: 2546800 -40.7142 -38.1558 -17.391 -38.1558 44.2676 76.7007 -17.3909 76.7006 -14.4811 GPRESSAVG: 2546800 -40.8811 -38.3749 -20.0036 -37.9312 45.496 77.0118 -15.8601 77.9569 -15.783 TIMING: 2546800 CPU: 8123.6, 0.00316427/step Wall: 8123.6, 0.00316427/step, 2.15628 hours remaining, 233.320312 MB of memory in use. ENERGY: 2546800 3965.7443 20408.4367 14568.7747 225.4834 -203397.6845 2192.1730 0.0000 0.0000 51812.7070 -110224.3653 297.7683 -162037.0723 -109853.0484 297.7452 -309.0096 -281.5587 759465.3631 -3.6426 -3.7227 PRESSURE: 2547000 8.61485 74.1497 11.9232 74.1489 -324.909 193.7 11.9241 193.699 279.149 GPRESSURE: 2547000 46.1088 -12.6199 27.0674 59.1359 -244.731 149.721 -97.0611 222.964 246.859 PRESSAVG: 2547000 19.7955 -8.12129 -39.841 -8.12126 -10.2687 36.4097 -39.841 36.4097 -17.9057 GPRESSAVG: 2547000 21.1752 -7.864 -36.8818 -9.93011 -11.382 36.4887 -40.6251 36.1318 -18.2968 TIMING: 2547000 CPU: 8124.23, 0.00316115/step Wall: 8124.23, 0.00316115/step, 2.15397 hours remaining, 233.320312 MB of memory in use. ENERGY: 2547000 3977.3936 20502.0908 14481.3684 236.9095 -203641.7054 2395.4227 0.0000 0.0000 51968.3171 -110080.2032 298.6626 -162048.5204 -109717.7931 298.4646 -12.3819 16.0788 759220.8109 -2.7930 -2.8345 PRESSURE: 2547200 -55.2649 -32.8993 -24.577 -32.8998 51.1959 -106.34 -24.5772 -106.34 111.365 GPRESSURE: 2547200 -69.5109 20.4636 -61.1552 25.3584 95.9257 -57.613 -23.4437 -158.683 153.845 PRESSAVG: 2547200 -12.1435 16.8585 27.2205 16.8584 -11.3633 -1.16051 27.2204 -1.16047 24.9662 GPRESSAVG: 2547200 -13.0579 15.5777 26.2538 17.8838 -11.1608 -1.60326 26.705 -1.89958 25.4579 TIMING: 2547200 CPU: 8124.86, 0.00315184/step Wall: 8124.86, 0.00315184/step, 2.14745 hours remaining, 233.320312 MB of memory in use. ENERGY: 2547200 4019.5234 20540.6708 14493.2011 244.1057 -203689.2363 2279.6241 0.0000 0.0000 51969.6819 -110142.4294 298.6705 -162112.1113 -109786.1871 298.2973 35.7652 60.0865 760250.2119 0.4865 0.4131 PRESSURE: 2547400 106.728 110.392 41.7991 110.392 -51.1043 115.144 41.7988 115.143 171.41 GPRESSURE: 2547400 180.611 70.7094 131.34 125.221 -60.2907 81.883 84.0207 30.7088 163.345 PRESSAVG: 2547400 -26.611 -4.84924 -11.9365 -4.84925 -18.2203 8.50784 -11.9366 8.50783 4.94264 GPRESSAVG: 2547400 -27.0695 -3.3212 -13.1387 -5.15943 -19.3666 7.36566 -10.2211 7.72449 5.89413 TIMING: 2547400 CPU: 8125.49, 0.00316109/step Wall: 8125.49, 0.00316109/step, 2.15358 hours remaining, 233.320312 MB of memory in use. ENERGY: 2547400 3987.3219 20532.1692 14457.8848 242.0832 -203661.2051 2358.3971 0.0000 0.0000 51888.0153 -110195.3337 298.2011 -162083.3490 -109837.9274 298.1298 75.6781 94.5550 760128.3581 -13.2962 -13.5140 PRESSURE: 2547600 -311.085 -151.129 -108.252 -151.129 -526.711 -162.182 -108.252 -162.183 -569.121 GPRESSURE: 2547600 -247.461 -161.905 -88.6822 -116.819 -453.348 -142.303 -75.4854 -99.7561 -609.554 PRESSAVG: 2547600 -35.3804 -66.9916 -37.5429 -66.9916 26.0243 -43.3529 -37.5429 -43.3528 9.52357 GPRESSAVG: 2547600 -35.9435 -68.365 -35.4675 -66.4077 27.1687 -40.6737 -37.9767 -43.2977 9.61039 TIMING: 2547600 CPU: 8126.12, 0.00315673/step Wall: 8126.12, 0.00315673/step, 2.15044 hours remaining, 233.320312 MB of memory in use. ENERGY: 2547600 3986.9501 20479.3023 14415.7077 243.6993 -203036.0964 1877.2138 0.0000 0.0000 51841.6209 -110191.6023 297.9345 -162033.2232 -109817.7262 298.2892 -468.9727 -436.7876 760387.6047 0.0558 0.2785 PRESSURE: 2547800 187.388 118.829 196.97 118.829 294.69 188.429 196.969 188.428 -127.566 GPRESSURE: 2547800 166.565 31.7937 190.163 76.3312 363.634 169.198 305.949 47.8907 -74.8913 PRESSAVG: 2547800 -11.3508 4.83589 26.8067 4.83588 24.5105 -26.0587 26.8067 -26.0587 1.36509 GPRESSAVG: 2547800 -10.8761 6.85901 25.531 2.82151 24.5688 -28.0425 28.7185 -25.0841 0.644863 TIMING: 2547800 CPU: 8126.76, 0.00315678/step Wall: 8126.76, 0.00315678/step, 2.15029 hours remaining, 233.320312 MB of memory in use. ENERGY: 2547800 4001.9405 20579.3012 14440.8160 242.4285 -203775.5062 2703.9961 0.0000 0.0000 51668.8397 -110138.1841 296.9415 -161807.0239 -109777.8523 297.9621 118.1707 151.7694 759147.5290 4.8416 4.7792 PRESSURE: 2548000 222.528 -165.53 122.097 -165.529 57.0708 -13.9293 122.099 -13.9292 -20.9052 GPRESSURE: 2548000 220.702 -179.722 37.4991 -140.301 49.8146 82.283 54.2338 -72.2064 65.6275 PRESSAVG: 2548000 19.9945 -17.8656 -2.30477 -17.8656 13.2855 -28.6476 -2.30482 -28.6476 -1.37 GPRESSAVG: 2548000 19.2897 -16.7241 -3.83179 -19.8583 13.5175 -27.2709 -4.7174 -30.2927 -1.61221 TIMING: 2548000 CPU: 8127.39, 0.00316297/step Wall: 8127.39, 0.00316297/step, 2.15433 hours remaining, 233.320312 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: 2548000 4022.2110 20571.3690 14539.3470 259.9860 -203325.8012 2296.2958 0.0000 0.0000 51680.3993 -109956.1931 297.0080 -161636.5924 -109608.7585 298.0334 86.2312 112.0481 760161.2275 10.6367 10.3983 PRESSURE: 2548200 -160.817 -48.7206 44.5377 -48.7212 -28.7861 -56.6578 44.5372 -56.6581 -42.6837 GPRESSURE: 2548200 -212.805 -166.024 80.931 121.723 51.1136 -83.6858 134.908 -167.181 11.7766 PRESSAVG: 2548200 39.2593 -8.81797 -20.7081 -8.81802 -27.2432 -19.6733 -20.7082 -19.6734 -5.92173 GPRESSAVG: 2548200 39.2431 -11.1114 -18.2057 -6.60274 -27.3571 -20.4227 -18.4897 -18.042 -6.05525 TIMING: 2548200 CPU: 8128.02, 0.00315853/step Wall: 8128.02, 0.00315853/step, 2.15114 hours remaining, 233.320312 MB of memory in use. ENERGY: 2548200 3970.6783 20509.9430 14491.0936 247.3382 -203204.7311 2298.5653 0.0000 0.0000 51945.0784 -109742.0343 298.5291 -161687.1127 -109370.4703 298.9220 -77.4289 -49.9716 760023.0679 2.0315 1.9436 LDB: ============= START OF LOAD BALANCING ============== 8140.44 LDB: ============== END OF LOAD BALANCING =============== 8140.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8140.44 LDB: ============= START OF LOAD BALANCING ============== 8140.76 LDB: Largest compute 7059 load 0.034969 is 17.9% of average load 0.195477 LDB: Average compute 0.004400 is 2.3% of average load 0.195477 LDB: TIME 8140.76 LOAD: AVG 0.195477 MAX 0.21744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8140.76 LOAD: AVG 0.195477 MAX 0.21744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: TIME 8140.76 LOAD: AVG 0.195477 MAX 0.21744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: ============== END OF LOAD BALANCING =============== 8140.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8140.77 PRESSURE: 2548400 -10.8203 -110.216 -173.773 -110.216 -158.31 -305.006 -173.774 -305.005 -189.627 GPRESSURE: 2548400 70.0421 -111.6 -222.685 -78.3648 -208.635 -308.917 -200.591 -237.462 -130.611 PRESSAVG: 2548400 -12.1118 -45.5006 -21.4369 -45.5006 16.7143 2.47952 -21.4369 2.4795 7.71398 GPRESSAVG: 2548400 -11.9327 -43.0909 -22.732 -46.8014 16.5501 1.67222 -22.2314 2.55363 7.93065 TIMING: 2548400 CPU: 8128.66, 0.00322378/step Wall: 8128.66, 0.00322378/step, 2.1954 hours remaining, 233.429688 MB of memory in use. ENERGY: 2548400 3973.0062 20625.7666 14502.7508 247.1024 -203293.7396 2254.0960 0.0000 0.0000 52046.3131 -109644.7045 299.1109 -161691.0176 -109284.3812 298.6309 -119.5860 -89.7345 760848.3388 4.1055 4.1827 PRESSURE: 2548600 -247.502 -201.944 224.396 -201.945 -72.4265 -10.3846 224.396 -10.3853 -409.332 GPRESSURE: 2548600 -234.37 -257.229 230.041 -119.002 -43.2489 8.20341 119.408 -57.8704 -363.347 PRESSAVG: 2548600 -40.2219 -15.5424 11.8647 -15.5424 65.4542 14.4366 11.8647 14.4366 4.60206 GPRESSAVG: 2548600 -40.1195 -16.2515 10.7877 -14.0986 65.2117 15.7383 10.3876 15.4944 4.0309 TIMING: 2548600 CPU: 8129.3, 0.00316429/step Wall: 8129.3, 0.00316429/step, 2.15471 hours remaining, 233.890625 MB of memory in use. ENERGY: 2548600 4045.5101 20395.3639 14523.1306 237.4857 -203434.2819 2205.3176 0.0000 0.0000 52329.5255 -109697.9487 300.7385 -162027.4741 -109327.6165 299.0853 -243.0867 -213.6555 759866.3663 9.9448 9.7077 PRESSURE: 2548800 4.19547 61.4133 -44.1832 61.4131 -105.97 64.5968 -44.1838 64.5974 -6.64933 GPRESSURE: 2548800 26.6914 -46.9059 -44.1834 13.7927 -44.7213 79.1359 51.5214 42.1075 -2.43311 PRESSAVG: 2548800 17.2086 -69.9516 1.55616 -69.9516 -21.5446 -11.9629 1.55621 -11.963 -30.0421 GPRESSAVG: 2548800 18.022 -70.5137 2.15495 -69.929 -21.5669 -12.9242 1.12056 -12.3403 -30.4433 TIMING: 2548800 CPU: 8129.93, 0.00316471/step Wall: 8129.93, 0.00316471/step, 2.15482 hours remaining, 233.890625 MB of memory in use. ENERGY: 2548800 3969.1716 20501.5574 14511.3119 235.1590 -203394.4700 2333.8132 0.0000 0.0000 51985.1699 -109858.2871 298.7595 -161843.4570 -109501.7120 298.4908 -36.1414 -6.8210 760976.9702 -11.4594 -11.3294 PRESSURE: 2549000 335.18 -112.296 97.4303 -112.296 -112.968 -41.0513 97.4309 -41.0511 319.19 GPRESSURE: 2549000 341.079 -119.452 33.9813 -73.0058 -71.4978 -132.719 104.459 -131.738 350.388 PRESSAVG: 2549000 -10.5695 -23.3431 -25.7606 -23.3431 59.7575 -40.7366 -25.7607 -40.7365 9.69625 GPRESSAVG: 2549000 -11.8617 -25.0228 -26.2909 -22.4134 59.919 -40.8446 -24.3237 -40.2803 11 TIMING: 2549000 CPU: 8130.56, 0.00316331/step Wall: 8130.56, 0.0031633/step, 2.15368 hours remaining, 233.957031 MB of memory in use. ENERGY: 2549000 3882.4817 20516.9019 14510.0430 255.5877 -203568.0997 2470.7734 0.0000 0.0000 52272.8379 -109659.4741 300.4127 -161932.3121 -109299.9396 298.7856 180.4670 206.6566 760759.4369 19.6281 19.6858 PRESSURE: 2549200 21.9055 20.8136 -7.10991 20.8133 75.5345 14.9223 -7.10963 14.9215 -179.956 GPRESSURE: 2549200 20.6585 8.16942 -27.4754 68.8881 90.8232 -6.61573 57.4649 62.8938 -96.2628 PRESSAVG: 2549200 16.7343 -10.3801 -21.047 -10.3801 -10.7518 -42.3135 -21.047 -42.3135 -10.4924 GPRESSAVG: 2549200 17.2205 -7.4168 -19.7548 -12.3096 -10.3991 -42.2511 -23.6748 -42.8299 -10.9733 TIMING: 2549200 CPU: 8131.19, 0.00315368/step Wall: 8131.19, 0.00315368/step, 2.14695 hours remaining, 233.957031 MB of memory in use. ENERGY: 2549200 3963.6937 20358.4694 14388.7186 246.1521 -203288.6794 2608.5427 0.0000 0.0000 52032.2358 -109690.8672 299.0300 -161723.1030 -109330.6123 298.9887 -27.5055 5.0730 761796.7667 -1.5033 -1.3840 PRESSURE: 2549400 133.618 -192.197 31.8621 -192.198 -185.542 -227.285 31.8626 -227.284 -87.8281 GPRESSURE: 2549400 166.874 -224.388 33.1843 -203.034 -114.424 -162.067 28.2817 -225.771 -77.1086 PRESSAVG: 2549400 -12.7812 -34.361 12.884 -34.361 8.73036 32.5864 12.8839 32.5863 -3.77086 GPRESSAVG: 2549400 -12.7417 -37.4557 13.5044 -31.6251 9.20258 33.4034 13.6345 32.6791 -4.51067 TIMING: 2549400 CPU: 8131.83, 0.00316133/step Wall: 8131.83, 0.00316133/step, 2.15199 hours remaining, 233.957031 MB of memory in use. ENERGY: 2549400 3900.2144 20475.9650 14562.9421 258.6744 -203262.9849 2463.0022 0.0000 0.0000 52070.4407 -109531.7462 299.2495 -161602.1868 -109173.1123 299.2626 -46.5843 -8.2194 760062.8456 -2.6072 -2.6833 PRESSURE: 2549600 -20.6078 28.2294 -0.0560768 28.2291 298.653 -101.219 -0.0548954 -101.219 352.762 GPRESSURE: 2549600 85.7326 81.5997 -154.463 63.0422 314.117 -44.6629 -94.7354 2.49751 310.838 PRESSAVG: 2549600 -17.5648 -36.1347 -34.2847 -36.1347 17.5606 17.0884 -34.2847 17.0884 -3.59181 GPRESSAVG: 2549600 -18.381 -35.723 -37.1342 -35.549 19.1599 16.7826 -34.0715 17.6314 -4.33369 TIMING: 2549600 CPU: 8132.45, 0.00313484/step Wall: 8132.45, 0.00313484/step, 2.13378 hours remaining, 233.957031 MB of memory in use. ENERGY: 2549600 3970.7435 20392.5959 14483.9123 244.4203 -203597.9356 2829.1731 0.0000 0.0000 52010.2175 -109666.8730 298.9034 -161677.0905 -109300.5931 298.6749 210.2692 236.8957 759403.7719 -1.1987 -1.1849 PRESSURE: 2549800 -31.857 -146.539 -38.9036 -146.539 -5.4914 62.0542 -38.903 62.0535 -16.1061 GPRESSURE: 2549800 -40.0098 -102.084 -104.888 -137.718 42.9305 50.3678 -57.6461 50.5229 26.0916 PRESSAVG: 2549800 -1.96605 -71.5054 -20.7354 -71.5054 25.1583 0.200069 -20.7354 0.199973 -12.5691 GPRESSAVG: 2549800 -0.94373 -69.5595 -19.6255 -74.3707 23.1174 2.93588 -19.7343 -0.543204 -11.2975 TIMING: 2549800 CPU: 8133.08, 0.00315119/step Wall: 8133.08, 0.00315119/step, 2.14473 hours remaining, 233.957031 MB of memory in use. ENERGY: 2549800 3940.2916 20616.9010 14581.2884 253.1438 -203457.1438 2468.7912 0.0000 0.0000 52224.7280 -109371.9998 300.1362 -161596.7278 -109011.1142 299.2871 -17.8181 9.6708 760247.4438 3.5411 3.6254 PRESSURE: 2550000 -50.6312 68.6233 71.4315 68.6233 472.031 -272.961 71.4319 -272.96 11.8905 GPRESSURE: 2550000 67.0089 48.5896 132.16 124.888 422.414 -175.538 12.1408 -348.13 9.63104 PRESSAVG: 2550000 37.9746 -27.9902 15.1234 -27.9902 -21.4636 5.28416 15.1234 5.28409 -13.1516 GPRESSAVG: 2550000 38.9545 -29.8938 15.2605 -25.6855 -21.9786 3.09398 15.7729 3.3113 -13.4363 TIMING: 2550000 CPU: 8133.72, 0.00317045/step Wall: 8133.72, 0.00317045/step, 2.15766 hours remaining, 233.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2550000 3978.8309 20279.5937 14555.7396 254.7060 -203509.4651 2874.4003 0.0000 0.0000 52174.6703 -109391.5243 299.8485 -161566.1947 -109027.0244 299.6055 144.4300 166.3513 760323.8437 1.1198 1.1799 PRESSURE: 2550200 -76.9861 112.61 33.8964 112.61 -41.595 -148.292 33.8966 -148.291 -28.5971 GPRESSURE: 2550200 -50.3994 66.1838 32.6873 78.0411 32.8326 -101.037 0.519873 -106.629 -36.3186 PRESSAVG: 2550200 -58.6147 10.8371 31.5764 10.837 50.8345 -42.5224 31.5764 -42.5224 -9.66489 GPRESSAVG: 2550200 -59.5981 10.9391 31.7128 10.7173 51.0972 -43.7306 29.5457 -40.7293 -8.80729 TIMING: 2550200 CPU: 8134.35, 0.00318211/step Wall: 8134.35, 0.00318211/step, 2.16542 hours remaining, 233.957031 MB of memory in use. ENERGY: 2550200 3990.8858 20491.8890 14571.5865 255.9036 -203138.3759 2257.3863 0.0000 0.0000 52342.1205 -109228.6041 300.8109 -161570.7246 -108853.1705 300.1735 -49.0594 -17.9618 760338.5303 -5.8150 -5.7694 PRESSURE: 2550400 -115.818 79.0007 58.7703 79.0024 -227.63 -248.771 58.7704 -248.771 119.62 GPRESSURE: 2550400 -128.453 76.5277 101.8 9.249 -126.557 -148.686 84.3814 -168.307 125.192 PRESSAVG: 2550400 -62.3338 10.2986 -36.7097 10.2986 86.654 -41.5516 -36.7097 -41.5516 7.81294 GPRESSAVG: 2550400 -61.3924 10.0474 -36.8387 9.06295 86.8304 -39.8979 -35.5823 -42.3715 5.9571 TIMING: 2550400 CPU: 8134.98, 0.00315314/step Wall: 8134.98, 0.00315314/step, 2.14554 hours remaining, 233.957031 MB of memory in use. ENERGY: 2550400 3970.5455 20492.1937 14515.0615 236.3557 -203780.1012 2776.7296 0.0000 0.0000 52411.9086 -109377.3064 301.2120 -161789.2150 -109002.8549 300.3635 -74.6093 -43.2727 760928.5135 10.7110 10.4650 PRESSURE: 2550600 -261.5 -15.9583 -184.504 -15.9574 100.158 -110.253 -184.503 -110.253 62.2655 GPRESSURE: 2550600 -190.55 -12.1188 -183.442 2.61201 148.434 -67.0392 -212.492 -171.123 35.1313 PRESSAVG: 2550600 -61.842 15.2855 11.3335 15.2855 69.9732 6.71508 11.3335 6.7151 8.8486 GPRESSAVG: 2550600 -63.3595 17.0806 10.7756 15.4722 70.9522 5.47184 13.2405 7.08841 9.31446 TIMING: 2550600 CPU: 8135.61, 0.00315151/step Wall: 8135.61, 0.00315151/step, 2.14425 hours remaining, 233.957031 MB of memory in use. ENERGY: 2550600 3998.2012 20535.5745 14513.2266 235.3758 -203625.8881 2704.9064 0.0000 0.0000 52164.9074 -109473.6961 299.7924 -161638.6036 -109105.8673 299.5851 -33.0257 -2.3281 760917.1315 5.6599 5.6357 PRESSURE: 2550800 -29.5782 -104.54 71.9841 -104.541 -331.14 -150.682 71.9837 -150.682 346.715 GPRESSURE: 2550800 -54.6611 -71.4543 100.924 -131.09 -258.076 -103.63 33.7291 -142.145 373.633 PRESSAVG: 2550800 -25.395 26.0211 8.63043 26.0212 2.3616 -111.09 8.63041 -111.09 7.42078 GPRESSAVG: 2550800 -24.6145 26.3626 9.14612 25.9759 0.303384 -110.72 6.75588 -110.707 8.11649 TIMING: 2550800 CPU: 8136.25, 0.00316393/step Wall: 8136.25, 0.00316393/step, 2.15253 hours remaining, 233.957031 MB of memory in use. ENERGY: 2550800 4079.5126 20386.9211 14489.7017 260.1326 -203295.2533 2325.6598 0.0000 0.0000 52256.9931 -109496.3325 300.3217 -161753.3256 -109118.4469 299.8301 -4.6676 20.2984 761939.3538 -5.2042 -5.3982 PRESSURE: 2551000 -145.238 54.6032 -108.414 54.6021 -253.301 17.3739 -108.413 17.374 -445.797 GPRESSURE: 2551000 -138.68 241.144 -39.0871 58.9716 -237.57 -34.6109 -50.955 48.3698 -375.706 PRESSAVG: 2551000 -14.2583 -28.53 35.3515 -28.53 -9.70002 -23.5026 35.3516 -23.5026 26.0531 GPRESSAVG: 2551000 -14.0938 -29.4842 35.7776 -26.2214 -7.91963 -24.4643 35.7472 -25.0337 24.0767 TIMING: 2551000 CPU: 8136.88, 0.00315958/step Wall: 8136.88, 0.00315958/step, 2.14939 hours remaining, 233.957031 MB of memory in use. ENERGY: 2551000 3999.9149 20787.0627 14458.9919 244.1928 -203441.8106 2551.3482 0.0000 0.0000 52237.0110 -109163.2892 300.2068 -161400.3002 -108806.0328 299.5540 -281.4453 -250.6521 762037.2984 0.6983 0.6878 PRESSURE: 2551200 -96.3582 114.366 -12.7362 114.367 55.8257 -179.94 -12.7356 -179.939 -162.952 GPRESSURE: 2551200 -60.6079 -7.93349 -29.862 134.819 64.4523 -128.897 -31.5221 -228.223 -125.226 PRESSAVG: 2551200 23.4629 2.19897 50.4147 2.19901 12.2196 4.10797 50.4147 4.10793 5.27699 GPRESSAVG: 2551200 23.4891 -0.0182616 49.4299 1.56328 12.2767 6.05254 52.2011 4.55542 5.64615 TIMING: 2551200 CPU: 8137.52, 0.0031821/step Wall: 8137.52, 0.0031821/step, 2.16454 hours remaining, 233.957031 MB of memory in use. ENERGY: 2551200 4048.7124 20455.2625 14521.2225 239.6551 -203457.3823 2672.0516 0.0000 0.0000 52305.0408 -109215.4376 300.5978 -161520.4784 -108852.4015 300.0164 -67.8282 -40.4606 761197.8693 13.6532 13.8040 PRESSURE: 2551400 -43.7095 31.0731 80.4048 31.0725 -67.8727 14.6662 80.406 14.668 -318.089 GPRESSURE: 2551400 -59.9571 35.3448 96.5885 93.3907 2.39859 28.9964 27.2989 -76.8169 -298.016 PRESSAVG: 2551400 54.1851 -19.3106 13.134 -19.3106 -29.6972 -51.61 13.1341 -51.61 -5.7458 GPRESSAVG: 2551400 54.1383 -17.3428 14.2228 -19.6447 -30.5501 -53.5764 11.1321 -51.7519 -5.23123 TIMING: 2551400 CPU: 8138.15, 0.00317408/step Wall: 8138.15, 0.00317408/step, 2.1589 hours remaining, 233.957031 MB of memory in use. ENERGY: 2551400 4045.5000 20441.5656 14492.7689 255.6339 -203127.4081 2378.7523 0.0000 0.0000 52318.0280 -109195.1594 300.6724 -161513.1874 -108824.4513 300.6608 -143.2238 -118.5247 760260.6369 6.2474 6.1190 PRESSURE: 2551600 14.8177 338.792 16.475 338.792 65.2208 11.2342 16.4747 11.2348 -127.231 GPRESSURE: 2551600 140.772 110.519 -39.5974 200.171 2.29421 1.75141 49.0697 60.1569 -99.8391 PRESSAVG: 2551600 18.8444 -68.2784 -27.7215 -68.2784 -25.5784 19.1747 -27.7215 19.1747 2.22247 GPRESSAVG: 2551600 20.1652 -68.891 -29.1827 -70.4548 -26.9267 20.7177 -26.5821 19.0849 1.77727 TIMING: 2551600 CPU: 8138.79, 0.00318403/step Wall: 8138.79, 0.00318403/step, 2.1655 hours remaining, 233.957031 MB of memory in use. ENERGY: 2551600 4026.1213 20587.6321 14514.0791 237.9228 -203115.2272 2493.2784 0.0000 0.0000 52251.7415 -109004.4520 300.2915 -161256.1935 -108645.0382 300.0634 -15.7308 14.4089 759814.3568 -1.5038 -1.6614 PRESSURE: 2551800 -32.8898 127.96 -22.1281 127.96 -256.425 -44.8102 -22.1282 -44.8105 -283.025 GPRESSURE: 2551800 6.31174 88.0988 -15.8487 28.9836 -177.234 -10.9021 -77.0173 -12.9583 -331.643 PRESSAVG: 2551800 -0.292113 -57.6396 1.0872 -57.6396 -16.3533 3.8215 1.08712 3.82146 -21.4218 GPRESSAVG: 2551800 -3.02172 -56.9738 0.983276 -56.4564 -15.4769 3.75241 0.294326 7.10511 -19.3057 TIMING: 2551800 CPU: 8139.42, 0.00317307/step Wall: 8139.42, 0.00317307/step, 2.15787 hours remaining, 233.957031 MB of memory in use. ENERGY: 2551800 3986.7290 20442.2306 14540.9274 252.5697 -203121.4832 2432.7616 0.0000 0.0000 52088.7483 -109377.5166 299.3548 -161466.2649 -109015.4558 299.9330 -190.7798 -167.5219 760610.9592 -12.6891 -12.6014 PRESSURE: 2552000 18.6788 74.8759 51.0365 74.8765 -238.362 51.3705 51.0367 51.3705 232.836 GPRESSURE: 2552000 81.7819 83.217 82.7273 91.3414 -238.361 -75.4682 174.873 -36.3219 241.768 PRESSAVG: 2552000 2.21138 26.4201 39.8508 26.4201 4.81811 -7.46849 39.8508 -7.46845 -17.414 GPRESSAVG: 2552000 3.08611 24.8419 39.1101 27.1773 4.13769 -9.23726 41.9634 -9.1672 -17.8551 TIMING: 2552000 CPU: 8140.05, 0.00315735/step Wall: 8140.05, 0.00315735/step, 2.147 hours remaining, 233.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2552000 3944.2879 20509.0396 14532.6874 240.6373 -202769.4449 2190.8740 0.0000 0.0000 52164.0998 -109187.8190 299.7878 -161351.9187 -108823.4853 300.0561 4.3843 28.3964 761995.6316 -3.4615 -3.5438 PRESSURE: 2552200 -106.536 68.0847 -82.1362 68.0858 256.442 -202.698 -82.1357 -202.697 -59.6078 GPRESSURE: 2552200 -96.692 27.0154 -48.5066 79.0375 267.798 -216.976 -79.381 -176.17 -3.65249 PRESSAVG: 2552200 14.8101 16.4405 -22.2495 16.4405 -25.4177 -15.1234 -22.2495 -15.1234 -7.761 GPRESSAVG: 2552200 15.2556 18.0265 -20.5553 18.4042 -25.7295 -13.2406 -24.0848 -16.7571 -7.87685 TIMING: 2552200 CPU: 8140.68, 0.00315687/step Wall: 8140.68, 0.00315687/step, 2.1465 hours remaining, 233.957031 MB of memory in use. ENERGY: 2552200 4026.7867 20551.1569 14531.4004 235.5176 -203267.5226 2452.4498 0.0000 0.0000 52146.0104 -109324.2009 299.6838 -161470.2113 -108961.7787 299.2914 30.0994 55.8178 761907.5640 -6.1229 -6.1169 LDB: ============= START OF LOAD BALANCING ============== 8153.11 LDB: ============== END OF LOAD BALANCING =============== 8153.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8153.11 LDB: ============= START OF LOAD BALANCING ============== 8153.43 LDB: Largest compute 7031 load 0.035257 is 18.0% of average load 0.195598 LDB: Average compute 0.004407 is 2.3% of average load 0.195598 LDB: TIME 8153.43 LOAD: AVG 0.195598 MAX 0.216633 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8153.43 LOAD: AVG 0.195598 MAX 0.216633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 8153.43 LOAD: AVG 0.195598 MAX 0.216633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 8153.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8153.44 PRESSURE: 2552400 -302.271 126.019 -122.486 126.018 -251.569 65.2898 -122.487 65.2891 131.892 GPRESSURE: 2552400 -247.611 34.9036 -105.166 2.56131 -215.058 7.51427 -56.7927 129.165 140.539 PRESSAVG: 2552400 25.8567 -30.7478 -43.5144 -30.7478 -47.145 13.5041 -43.5144 13.5042 4.33558 GPRESSAVG: 2552400 25.0228 -30.8795 -44.6745 -31.987 -46.2576 11.1829 -44.4525 15.8617 4.31541 TIMING: 2552400 CPU: 8141.33, 0.00323927/step Wall: 8141.33, 0.00323927/step, 2.20234 hours remaining, 234.335938 MB of memory in use. ENERGY: 2552400 3986.4875 20538.8039 14481.5615 244.3277 -203135.1010 2618.8955 0.0000 0.0000 51955.5992 -109309.4258 298.5895 -161265.0250 -108956.5607 299.7989 -140.6494 -107.3768 762290.3332 -5.6509 -5.6398 PRESSURE: 2552600 256.629 -68.8791 -28.2935 -68.878 99.6748 -240.307 -28.2931 -240.306 -249.212 GPRESSURE: 2552600 287.273 -61.9002 0.0238507 -4.40578 62.7749 -196.64 -147.712 -234.874 -155.033 PRESSAVG: 2552600 34.5548 -58.8013 -21.5963 -58.8011 -29.5493 -32.667 -21.5963 -32.667 -9.13985 GPRESSAVG: 2552600 36.1656 -59.8797 -21.5384 -60.0455 -31.1822 -31.1867 -20.5648 -36.4331 -9.74162 TIMING: 2552600 CPU: 8141.96, 0.00315716/step Wall: 8141.96, 0.00315716/step, 2.14635 hours remaining, 234.535156 MB of memory in use. ENERGY: 2552600 3968.8467 20523.2818 14440.4573 257.3511 -203421.2974 2930.5749 0.0000 0.0000 52114.7520 -109186.0336 299.5042 -161300.7856 -108817.8544 299.8567 35.6973 65.0050 762749.1917 -1.3781 -1.5861 PRESSURE: 2552800 -85.3178 -261.991 299.544 -261.991 -164.66 136.093 299.544 136.095 14.6166 GPRESSURE: 2552800 -87.3646 -239.839 203.904 -224.463 -66.5815 145.424 206.774 202.121 0.768754 PRESSAVG: 2552800 12.1959 -84.197 3.55131 -84.197 -8.77065 15.7807 3.55132 15.7807 -18.5862 GPRESSAVG: 2552800 11.4144 -81.8983 4.62495 -83.0334 -7.33853 14.6392 3.35575 19.4862 -18.9478 TIMING: 2552800 CPU: 8142.6, 0.00318575/step Wall: 8142.6, 0.00318575/step, 2.1656 hours remaining, 234.535156 MB of memory in use. ENERGY: 2552800 4009.9423 20617.7270 14558.6208 253.8648 -202994.5490 2223.7806 0.0000 0.0000 52252.5738 -109078.0397 300.2963 -161330.6135 -108706.9645 300.1901 -78.4537 -51.0591 760164.7305 -5.0537 -4.9573 PRESSURE: 2553000 -43.147 -0.503767 -6.11292 -0.502682 -428.651 78.2022 -6.11271 78.2018 -410.39 GPRESSURE: 2553000 1.12016 -18.6847 -82.1635 3.23666 -431.453 98.7537 -27.6515 140.173 -363.289 PRESSAVG: 2553000 0.583389 51.3455 -33.2049 51.3455 24.6044 -36.5371 -33.2049 -36.5371 2.81513 GPRESSAVG: 2553000 -0.504478 48.4659 -36.3817 51.9273 24.4956 -35.3114 -32.007 -36.836 3.85855 TIMING: 2553000 CPU: 8143.23, 0.00313671/step Wall: 8143.23, 0.00313671/step, 2.13209 hours remaining, 234.535156 MB of memory in use. ENERGY: 2553000 4124.1260 20590.7464 14497.8497 253.3093 -203320.9872 2636.9470 0.0000 0.0000 52156.6584 -109061.3503 299.7450 -161218.0087 -108703.1445 300.1995 -294.0627 -264.5406 760172.7964 9.3343 9.2832 PRESSURE: 2553200 40.2691 -82.1897 27.7653 -82.1897 -65.5855 -192.937 27.7659 -192.936 156.131 GPRESSURE: 2553200 14.0184 2.05565 -4.82692 -160.154 -6.05108 -180.614 54.2151 -75.6761 208.887 PRESSAVG: 2553200 -2.47973 -17.1825 -13.1166 -17.1826 0.666511 -18.5933 -13.1166 -18.5933 8.59025 GPRESSAVG: 2553200 -1.35643 -16.2759 -11.9464 -17.6722 0.43132 -17.5263 -13.8567 -19.684 8.38289 TIMING: 2553200 CPU: 8143.86, 0.00315852/step Wall: 8143.86, 0.00315852/step, 2.14674 hours remaining, 234.535156 MB of memory in use. ENERGY: 2553200 4112.6613 20471.9338 14514.2784 252.2923 -203380.1113 2658.9453 0.0000 0.0000 52269.2125 -109100.7877 300.3919 -161370.0002 -108725.8036 300.4469 43.6049 72.2846 761130.5704 2.2590 2.4859 PRESSURE: 2553400 -79.9851 -92.4787 25.2198 -92.4789 168.611 161.26 25.2195 161.259 109.543 GPRESSURE: 2553400 51.9759 -104.377 32.8252 -93.6963 111.257 139.353 47.0994 156.865 136.603 PRESSAVG: 2553400 51.426 -17.393 7.05188 -17.3931 -50.1293 62.3235 7.05187 62.3236 -18.2148 GPRESSAVG: 2553400 50.7312 -18.1634 8.07423 -17.7614 -49.7234 60.5683 6.50943 62.2721 -17.8906 TIMING: 2553400 CPU: 8144.49, 0.00314662/step Wall: 8144.49, 0.00314662/step, 2.13847 hours remaining, 234.535156 MB of memory in use. ENERGY: 2553400 4039.4479 20540.8750 14587.2715 250.2168 -203614.1603 2617.9924 0.0000 0.0000 52311.1783 -109267.1784 300.6331 -161578.3567 -108902.9632 300.4242 66.0563 99.9453 759228.9344 -5.6394 -5.6276 PRESSURE: 2553600 -21.9681 90.0352 77.3492 90.0351 -320.401 303.47 77.3487 303.469 -364.793 GPRESSURE: 2553600 -3.84494 102.667 85.9992 157.153 -228.461 245.18 37.3782 255.775 -393.368 PRESSAVG: 2553600 21.2717 -17.4088 16.0872 -17.4088 -11.08 33.0073 16.0872 33.0073 -8.77954 GPRESSAVG: 2553600 21.3471 -16.8623 16.145 -15.5041 -10.8592 33.0481 17.6723 32.1725 -9.04686 TIMING: 2553600 CPU: 8145.12, 0.00314268/step Wall: 8145.12, 0.00314268/step, 2.13562 hours remaining, 234.535156 MB of memory in use. ENERGY: 2553600 4054.9532 20488.9383 14585.2948 282.1396 -203564.8489 2451.6612 0.0000 0.0000 52140.6926 -109561.1692 299.6533 -161701.8618 -109200.8500 299.7181 -235.7205 -208.5579 759196.5887 0.4707 0.4803 PRESSURE: 2553800 -187.401 -417.749 216.309 -417.749 17.84 34.8952 216.307 34.8951 412.153 GPRESSURE: 2553800 -143.215 -360.815 231.437 -348.103 105.346 80.239 345.377 108.336 351.549 PRESSAVG: 2553800 -19.3181 -84.0599 22.1613 -84.0599 3.49439 -27.8666 22.1613 -27.8666 10.4511 GPRESSAVG: 2553800 -19.7867 -84.6929 22.9313 -85.9076 4.03674 -27.6343 20.4503 -28.3998 10.0852 TIMING: 2553800 CPU: 8145.75, 0.00317215/step Wall: 8145.75, 0.00317215/step, 2.15547 hours remaining, 234.535156 MB of memory in use. ENERGY: 2553800 4099.5190 20646.6875 14606.7191 239.0944 -203413.4864 2262.7130 0.0000 0.0000 51994.2503 -109564.5031 298.8117 -161558.7534 -109196.3253 298.8660 80.8640 104.5600 759054.6081 -1.7909 -1.8882 PRESSURE: 2554000 -196.319 34.3433 37.2812 34.344 317.65 244.626 37.2805 244.626 215.738 GPRESSURE: 2554000 -132.677 73.6986 -2.09249 50.6674 305.569 278.418 8.45571 91.0026 277.856 PRESSAVG: 2554000 -2.87558 -51.3367 87.995 -51.3367 53.6171 9.86735 87.9951 9.86737 26.9008 GPRESSAVG: 2554000 -2.16221 -51.392 87.501 -51.0542 52.627 10.5793 88.3055 12.1957 27.5975 TIMING: 2554000 CPU: 8146.39, 0.00316867/step Wall: 8146.39, 0.00316867/step, 2.15294 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2554000 4054.3475 20424.7880 14569.3682 234.2653 -203943.6397 2790.3653 0.0000 0.0000 52155.6916 -109714.8138 299.7395 -161870.5054 -109359.0225 299.0443 112.3564 150.2492 758748.0233 25.8808 26.0208 PRESSURE: 2554200 -214.144 249.728 -54.479 249.728 80.6293 -87.6708 -54.4791 -87.6701 56.7995 GPRESSURE: 2554200 -179.939 227.93 -75.1954 131.598 66.8912 -7.57692 -35.1816 -75.0812 125.205 PRESSAVG: 2554200 -45.2656 40.2388 66.6826 40.2387 45.1715 13.6718 66.6826 13.6718 -2.25342 GPRESSAVG: 2554200 -45.1615 40.5612 66.3216 39.9747 45.4556 12.3506 66.0802 14.5105 -2.3973 TIMING: 2554200 CPU: 8147.02, 0.00316089/step Wall: 8147.02, 0.00316089/step, 2.14747 hours remaining, 234.535156 MB of memory in use. ENERGY: 2554200 3984.4941 20599.7753 14533.0966 258.0166 -203695.9463 2550.5929 0.0000 0.0000 51935.5039 -109834.4669 298.4741 -161769.9708 -109468.8551 298.8722 -25.5716 4.0525 760276.2634 -0.7825 -0.7011 PRESSURE: 2554400 -488.899 29.6244 -65.3693 29.6244 -115.716 363.667 -65.3697 363.667 -292.626 GPRESSURE: 2554400 -333.93 3.73686 -81.7433 -46.6278 -227.829 323.244 -5.46615 358.09 -266.347 PRESSAVG: 2554400 34.615 -19.7245 43.3576 -19.7245 -31.0075 18.3866 43.3576 18.3865 -0.691821 GPRESSAVG: 2554400 34.8682 -19.3955 41.3293 -19.7297 -32.0096 17.6289 44.3857 17.6204 -0.360487 TIMING: 2554400 CPU: 8147.65, 0.00315803/step Wall: 8147.65, 0.00315803/step, 2.14536 hours remaining, 234.535156 MB of memory in use. ENERGY: 2554400 4002.5292 20401.0222 14483.1171 241.1631 -203161.1537 2183.0029 0.0000 0.0000 51984.2764 -109866.0428 298.7544 -161850.3192 -109501.8062 298.8465 -299.0802 -276.0355 761682.4820 0.9719 0.8327 PRESSURE: 2554600 -50.5519 -125.432 124.171 -125.432 148.924 -13.3907 124.172 -13.3906 152.922 GPRESSURE: 2554600 -58.5538 -71.1962 225.028 68.9235 245.728 56.6699 -15.8056 59.9097 164.269 PRESSAVG: 2554600 -48.5544 -68.523 -1.13116 -68.523 28.6058 40.967 -1.13113 40.9671 -15.3381 GPRESSAVG: 2554600 -47.7895 -68.6088 -0.581211 -68.1252 29.0361 41.8101 -0.688933 40.2986 -17.0796 TIMING: 2554600 CPU: 8148.28, 0.00315346/step Wall: 8148.28, 0.00315346/step, 2.14207 hours remaining, 234.535156 MB of memory in use. ENERGY: 2554600 4032.5158 20468.1545 14419.2805 228.1315 -203647.2346 2746.4982 0.0000 0.0000 51903.4986 -109849.1554 298.2901 -161752.6540 -109481.2932 298.7530 83.7644 117.1479 760409.7530 -11.7622 -11.9444 PRESSURE: 2554800 -43.3312 -207.928 -254.647 -207.927 -275.545 192.454 -254.647 192.455 314.115 GPRESSURE: 2554800 -68.8396 -173.852 -249.071 -117.518 -125.46 213.992 -178.557 111.626 278.29 PRESSAVG: 2554800 1.77952 -41.8675 34.4484 -41.8676 32.3177 59.4727 34.4484 59.4728 -19.5782 GPRESSAVG: 2554800 -0.563015 -41.8254 35.5142 -41.9701 32.9149 60.0937 34.1325 60.0005 -18.1676 TIMING: 2554800 CPU: 8148.91, 0.00315973/step Wall: 8148.91, 0.00315973/step, 2.14616 hours remaining, 234.535156 MB of memory in use. ENERGY: 2554800 3981.0484 20577.1832 14532.4424 252.1212 -203670.3678 2508.0176 0.0000 0.0000 51993.1196 -109826.4354 298.8052 -161819.5550 -109461.8114 298.6225 -1.5870 27.9970 759210.4097 4.8397 4.7281 PRESSURE: 2555000 -25.2899 25.1385 -20.8365 25.1386 -0.0456517 -215.221 -20.8363 -215.221 221.073 GPRESSURE: 2555000 -91.7394 56.2667 -85.2424 -67.9728 161.809 -196.343 -0.215188 -235.145 225.447 PRESSAVG: 2555000 -95.1494 -75.8683 -18.1687 -75.8682 41.8266 4.68985 -18.1688 4.68986 11.1504 GPRESSAVG: 2555000 -93.7593 -75.2798 -19.0888 -78.8219 40.6089 4.06748 -17.8864 3.61608 10.786 TIMING: 2555000 CPU: 8149.55, 0.00317621/step Wall: 8149.55, 0.00317621/step, 2.15718 hours remaining, 234.535156 MB of memory in use. ENERGY: 2555000 4028.9479 20314.4263 14481.3540 250.2121 -203742.5843 2577.6653 0.0000 0.0000 52209.8616 -109880.1172 300.0508 -162089.9788 -109518.0845 298.6200 65.2458 98.5054 760991.6366 -14.0575 -14.1215 PRESSURE: 2555200 -72.3202 -18.5328 21.8365 -18.5326 -203.865 200.599 21.8361 200.599 -200.407 GPRESSURE: 2555200 -63.8453 -19.2567 63.528 8.08643 -176.017 138.228 71.9048 137.389 -160.638 PRESSAVG: 2555200 -10.6934 -0.37938 0.281761 -0.379354 22.1104 4.13666 0.28169 4.1367 -0.493989 GPRESSAVG: 2555200 -11.0506 -1.44687 1.03322 2.1478 22.5083 4.97346 0.72373 5.44978 -1.3582 TIMING: 2555200 CPU: 8150.18, 0.00317888/step Wall: 8150.18, 0.00317888/step, 2.15881 hours remaining, 234.535156 MB of memory in use. ENERGY: 2555200 3959.8450 20588.7014 14516.8633 249.6090 -203352.9424 2411.4325 0.0000 0.0000 52068.7893 -109557.7019 299.2400 -161626.4913 -109198.2520 299.0938 -158.8641 -133.5003 759765.1449 3.6410 3.3665 PRESSURE: 2555400 -385.2 89.4184 11.3073 89.4179 289.81 226.18 11.3075 226.179 318.411 GPRESSURE: 2555400 -301.138 8.15823 94.8599 107.327 285.167 234.456 -146.055 235.564 312.376 PRESSAVG: 2555400 -7.44267 -15.3826 22.6552 -15.3826 54.4982 10.8338 22.6552 10.8338 13.1643 GPRESSAVG: 2555400 -8.8324 -14.9596 22.6369 -15.9133 54.3544 10.1601 23.3998 10.1786 14.9246 TIMING: 2555400 CPU: 8150.82, 0.00317884/step Wall: 8150.82, 0.00317884/step, 2.15861 hours remaining, 234.535156 MB of memory in use. ENERGY: 2555400 4081.6960 20385.6068 14425.9295 271.5868 -203784.8901 2804.6134 0.0000 0.0000 52386.8470 -109428.6105 301.0679 -161815.4576 -109069.9003 299.5768 74.3404 98.8014 760478.1869 20.0733 20.1488 PRESSURE: 2555600 -21.8454 -108.276 69.7612 -108.277 83.2748 -28.3538 69.7621 -28.354 -286.212 GPRESSURE: 2555600 -78.1621 -132.297 13.8579 -152.19 209.42 -6.5992 68.9786 -25.1208 -271.233 PRESSAVG: 2555600 1.69042 -48.001 -33.303 -48.001 8.34279 -25.9154 -33.303 -25.9154 -0.599481 GPRESSAVG: 2555600 2.45557 -47.8333 -33.7106 -49.343 7.97963 -25.2842 -35.5579 -26.08 -0.880078 TIMING: 2555600 CPU: 8151.45, 0.0031611/step Wall: 8151.45, 0.0031611/step, 2.14638 hours remaining, 234.535156 MB of memory in use. ENERGY: 2555600 3926.9608 20674.7002 14439.9113 233.0088 -203086.2771 2383.9130 0.0000 0.0000 51964.3959 -109463.3871 298.6401 -161427.7831 -109097.7151 299.8966 -74.9275 -46.6582 762643.5350 3.1446 3.1850 PRESSURE: 2555800 50.3779 58.7245 -47.1628 58.7247 -97.2917 -105.453 -47.1629 -105.453 305.412 GPRESSURE: 2555800 16.2489 -7.462 -72.4229 83.7061 -87.2509 -179.612 -117.256 -258.961 415.283 PRESSAVG: 2555800 53.6864 -29.1513 -1.894 -29.1513 -20.0016 3.79405 -1.89401 3.79403 -21.9112 GPRESSAVG: 2555800 52.5137 -28.5652 -1.954 -28.3248 -18.3782 3.99325 -1.59046 3.50119 -21.9025 TIMING: 2555800 CPU: 8152.09, 0.00317725/step Wall: 8152.09, 0.00317725/step, 2.15717 hours remaining, 234.535156 MB of memory in use. ENERGY: 2555800 4026.9973 20574.8235 14516.9945 231.2271 -202831.6004 2261.2233 0.0000 0.0000 51997.6736 -109222.6611 298.8313 -161220.3346 -108863.4802 299.5496 86.1663 114.7603 761066.4791 3.9245 4.0777 PRESSURE: 2556000 6.46319 -143.512 33.442 -143.511 -68.9382 388.94 33.4425 388.941 279.73 GPRESSURE: 2556000 62.431 -127.755 -77.562 -192.872 -21.996 485.071 23.7766 344.223 227.617 PRESSAVG: 2556000 -22.0721 -20.6066 -14.891 -20.6065 -19.7972 -24.7656 -14.891 -24.7656 -4.04386 GPRESSAVG: 2556000 -21.1798 -22.0976 -15.2988 -19.2467 -20.4206 -25.5392 -15.3451 -25.0212 -3.68476 TIMING: 2556000 CPU: 8152.72, 0.00318311/step Wall: 8152.72, 0.00318311/step, 2.16098 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2556000 4085.7756 20562.8163 14551.4613 246.8313 -203179.4582 2324.7249 0.0000 0.0000 52281.7675 -109126.0813 300.4640 -161407.8488 -108771.4337 300.1163 72.4184 89.3506 759213.2549 -15.3044 -15.0951 PRESSURE: 2556200 -180.556 244.444 93.7773 244.444 -183.315 -134.562 93.7767 -134.562 32.0213 GPRESSURE: 2556200 -169.244 88.7958 3.09731 315.803 -81.5992 -85.441 144.54 -119.953 21.0279 PRESSAVG: 2556200 -31.2931 -28.033 -36.5318 -28.033 67.8099 2.51583 -36.5318 2.51591 -4.77307 GPRESSAVG: 2556200 -30.8723 -26.4312 -35.6843 -29.7575 67.7979 2.59534 -35.9837 5.10123 -4.9873 TIMING: 2556200 CPU: 8153.36, 0.00315974/step Wall: 8153.36, 0.00315974/step, 2.14494 hours remaining, 234.535156 MB of memory in use. ENERGY: 2556200 4098.8769 20569.0182 14508.9311 239.6511 -202909.9834 2221.5802 0.0000 0.0000 52205.8744 -109066.0515 300.0279 -161271.9259 -108696.5196 300.7808 -110.6167 -76.6052 760811.9434 10.5812 10.6461 LDB: ============= START OF LOAD BALANCING ============== 8165.78 LDB: ============== END OF LOAD BALANCING =============== 8165.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8165.78 LDB: ============= START OF LOAD BALANCING ============== 8166.1 LDB: Largest compute 7059 load 0.036002 is 18.4% of average load 0.195487 LDB: Average compute 0.004402 is 2.3% of average load 0.195487 LDB: TIME 8166.1 LOAD: AVG 0.195487 MAX 0.212683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.973 MB LDB: TIME 8166.1 LOAD: AVG 0.195487 MAX 0.212683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.172 MB LDB: TIME 8166.1 LOAD: AVG 0.195487 MAX 0.212683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.172 MB LDB: ============== END OF LOAD BALANCING =============== 8166.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8166.11 PRESSURE: 2556400 -113.463 -30.8631 -59.663 -30.8637 -25.1904 -76.0914 -59.6635 -76.0903 -19.0125 GPRESSURE: 2556400 -75.5685 -62.4968 -42.2549 -120.229 41.5868 67.9224 -24.0404 -111.012 -38.5823 PRESSAVG: 2556400 -45.2802 -119.108 -8.77585 -119.108 60.0042 18.8391 -8.77584 18.8391 -13.907 GPRESSAVG: 2556400 -45.8451 -122.28 -8.56076 -117.992 61.2297 18.2929 -8.54392 16.7361 -14.4851 TIMING: 2556400 CPU: 8154, 0.00323503/step Wall: 8154, 0.00323503/step, 2.19586 hours remaining, 233.160156 MB of memory in use. ENERGY: 2556400 4062.8173 20664.5249 14515.2833 257.9564 -203228.7401 2565.5731 0.0000 0.0000 52219.5448 -108943.0403 300.1064 -161162.5851 -108583.5921 301.0311 -52.5553 -24.1880 762579.6793 0.2723 0.2999 PRESSURE: 2556600 152.77 -15.1343 -3.76134 -15.1349 -39.3833 110.256 -3.76127 110.256 -17.8368 GPRESSURE: 2556600 152.44 8.50996 -12.4233 -0.561461 38.0173 99.7813 46.1845 149.642 7.11931 PRESSAVG: 2556600 -21.8598 -44.4239 11.785 -44.4239 22.1747 -34.106 11.785 -34.1059 7.95207 GPRESSAVG: 2556600 -21.3724 -42.1652 10.6925 -44.6473 21.1997 -34.0771 10.9924 -32.2658 8.81041 TIMING: 2556600 CPU: 8154.64, 0.00316983/step Wall: 8154.64, 0.00316983/step, 2.15143 hours remaining, 233.160156 MB of memory in use. ENERGY: 2556600 3982.7177 20357.6361 14625.4728 247.6575 -203130.4043 2462.0760 0.0000 0.0000 52315.8604 -109138.9838 300.6600 -161454.8443 -108778.7362 300.5675 31.8500 65.8590 761644.4730 2.7557 2.8792 PRESSURE: 2556800 -315.746 -63.3926 128.608 -63.3924 -273.317 102.58 128.608 102.58 -12.1171 GPRESSURE: 2556800 -349.258 32.9632 69.5284 19.0631 -157.26 73.4605 146.954 -0.387556 -1.75842 PRESSAVG: 2556800 -44.6151 -53.713 -40.3537 -53.713 17.1916 32.0651 -40.3537 32.065 10.5385 GPRESSAVG: 2556800 -44.5001 -51.8389 -39.8373 -54.7343 17.6891 34.7551 -39.7284 29.9981 10.26 TIMING: 2556800 CPU: 8155.27, 0.00316174/step Wall: 8155.27, 0.00316174/step, 2.14577 hours remaining, 233.160156 MB of memory in use. ENERGY: 2556800 3981.4839 20614.9834 14554.0955 222.6966 -203273.0804 2462.9708 0.0000 0.0000 52079.9785 -109356.8717 299.3044 -161436.8501 -108989.7602 300.0508 -200.3931 -169.4254 761119.6113 -5.6284 -5.5170 PRESSURE: 2557000 56.1297 -93.5587 40.4011 -93.559 -343.847 182.516 40.4013 182.516 184.811 GPRESSURE: 2557000 107.132 -90.3811 -22.367 -122.705 -310.842 138.449 329.498 92.6025 186.449 PRESSAVG: 2557000 -12.6924 -20.4922 21.5769 -20.4922 -2.65623 23.197 21.5769 23.1971 -1.91407 GPRESSAVG: 2557000 -12.472 -20.3515 21.3665 -19.9385 -2.90002 20.8135 21.716 25.0129 -2.59884 TIMING: 2557000 CPU: 8155.91, 0.00318252/step Wall: 8155.91, 0.00318252/step, 2.15969 hours remaining, 233.160156 MB of memory in use. ENERGY: 2557000 4015.6338 20527.5125 14514.2735 245.4781 -203348.1236 2443.9446 0.0000 0.0000 52060.4546 -109540.8265 299.1921 -161601.2810 -109184.3265 299.6728 -34.3023 -5.7539 760542.3085 -5.7542 -5.9903 PRESSURE: 2557200 -58.6284 -27.5918 51.0652 -27.5924 -121.095 224.409 51.0662 224.409 -99.8462 GPRESSURE: 2557200 15.0584 -89.3357 13.5382 -35.5451 -111.719 256.653 98.0087 292.228 -71.3283 PRESSAVG: 2557200 35.4438 -8.53213 -9.00789 -8.53218 -23.7471 57.8794 -9.00795 57.8795 18.2476 GPRESSAVG: 2557200 34.4162 -11.1165 -8.66165 -7.97747 -23.696 59.1862 -9.47168 56.9241 19.3749 TIMING: 2557200 CPU: 8156.54, 0.00318877/step Wall: 8156.54, 0.00318877/step, 2.16376 hours remaining, 233.160156 MB of memory in use. ENERGY: 2557200 3978.9773 20455.0434 14528.6265 251.9867 -203215.4592 2336.0176 0.0000 0.0000 52095.7590 -109569.0488 299.3950 -161664.8078 -109213.9642 299.7705 -93.1899 -55.9964 762303.8673 9.9814 10.0317 PRESSURE: 2557400 168.818 -34.942 40.8863 -34.9426 -413.408 79.8489 40.886 79.8487 211.406 GPRESSURE: 2557400 90.5055 -88.6035 58.6221 99.2329 -234.969 92.4891 -101.993 199.987 202.529 PRESSAVG: 2557400 60.9059 -78.621 30.1431 -78.6209 -33.5483 19.0705 30.1433 19.0705 -16.8463 GPRESSAVG: 2557400 60.9134 -78.1756 30.0634 -79.067 -33.7536 16.8826 30.5749 19.9923 -16.526 TIMING: 2557400 CPU: 8157.18, 0.00317126/step Wall: 8157.18, 0.00317126/step, 2.1517 hours remaining, 233.160156 MB of memory in use. ENERGY: 2557400 3990.7512 20352.3029 14529.1109 241.9521 -203254.7342 2481.1120 0.0000 0.0000 52061.6411 -109597.8639 299.1990 -161659.5050 -109229.9193 299.1783 -11.0613 19.3552 759902.1401 3.5038 3.5446 PRESSURE: 2557600 -623.8 -47.9565 -228.793 -47.9568 -294.215 -98.219 -228.794 -98.2195 -269.162 GPRESSURE: 2557600 -589.152 105.596 -147.148 -172.076 -302.879 -93.1157 -111.58 -126.891 -206.388 PRESSAVG: 2557600 -25.1576 -32.1031 -36.3012 -32.1031 7.45271 31.8 -36.3011 31.8 8.58518 GPRESSAVG: 2557600 -24.4482 -32.5264 -35.4499 -31.1377 8.05423 33.8279 -35.6341 30.0866 7.33408 TIMING: 2557600 CPU: 8157.81, 0.00316867/step Wall: 8157.81, 0.00316867/step, 2.14977 hours remaining, 233.160156 MB of memory in use. ENERGY: 2557600 4078.0294 20676.0740 14424.5968 247.3791 -203378.5843 2255.5318 0.0000 0.0000 52214.9545 -109482.0187 300.0801 -161696.9732 -109130.1871 299.1642 -395.7255 -366.1397 761064.6467 -3.0399 -3.0200 PRESSURE: 2557800 -122.568 -280.581 125.3 -280.579 166.46 212.989 125.301 212.989 -159.108 GPRESSURE: 2557800 -61.4489 -173.936 70.7766 -181.957 187.452 303.003 78.5869 219.482 -122.363 PRESSAVG: 2557800 6.98807 -1.14159 -22.5707 -1.14157 -58.7492 28.8744 -22.5707 28.8744 -8.87713 GPRESSAVG: 2557800 6.38599 0.869051 -24.1055 1.45978 -59.2279 27.7023 -22.9018 29.5734 -8.06803 TIMING: 2557800 CPU: 8158.45, 0.00317662/step Wall: 8158.45, 0.00317662/step, 2.15498 hours remaining, 233.160156 MB of memory in use. ENERGY: 2557800 3982.6878 20529.6345 14533.7830 250.3533 -203794.7562 2719.1161 0.0000 0.0000 51947.7606 -109831.4210 298.5445 -161779.1816 -109469.2571 298.8161 -38.4052 1.2134 762341.3399 -20.2128 -20.3033 PRESSURE: 2558000 -132.6 135.413 -176.202 135.414 -120.345 100.989 -176.202 100.99 306.983 GPRESSURE: 2558000 -123.971 183.136 -174.826 117.835 -8.27223 96.3939 -128.531 76.7282 291.666 PRESSAVG: 2558000 10.962 -21.6427 -24.3953 -21.6426 2.47334 40.5678 -24.3952 40.5678 20.0418 GPRESSAVG: 2558000 11.226 -21.2797 -23.499 -24.3185 3.72336 41.8116 -25.9924 39.5473 18.5854 TIMING: 2558000 CPU: 8159.08, 0.00318557/step Wall: 8159.08, 0.00318557/step, 2.16088 hours remaining, 233.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2558000 3914.8359 20465.2387 14531.6148 238.9797 -203489.5406 2476.7486 0.0000 0.0000 52327.4956 -109534.6273 300.7268 -161862.1229 -109169.6542 299.2536 18.0125 53.1410 761577.8572 11.1590 11.1783 PRESSURE: 2558200 -282.478 55.0132 -256.446 55.0132 -221.025 52.6424 -256.445 52.6417 372.46 GPRESSURE: 2558200 -200.341 126.264 -279.851 50.5697 -213.518 98 -377.003 95.5973 376.559 PRESSAVG: 2558200 73.106 -13.5468 -16.7118 -13.5468 -93.533 24.2806 -16.7117 24.2807 21.3887 GPRESSAVG: 2558200 73.0104 -14.4102 -16.5596 -13.8862 -94.2711 24.8648 -15.8874 24.2835 22.4223 TIMING: 2558200 CPU: 8159.72, 0.00316844/step Wall: 8159.72, 0.00316844/step, 2.14908 hours remaining, 233.160156 MB of memory in use. ENERGY: 2558200 3993.3096 20545.8029 14487.6354 223.2287 -203855.4511 2674.3806 0.0000 0.0000 52272.9293 -109658.1645 300.4132 -161931.0938 -109290.5687 299.2669 -43.6808 -12.4334 761298.3334 0.3206 0.3872 PRESSURE: 2558400 14.3333 62.0746 -250.484 62.0751 55.9313 -71.4691 -250.485 -71.4683 166.628 GPRESSURE: 2558400 64.2799 -9.73399 -367.076 195.628 131.935 -106.153 -174.811 -47.5608 120.877 PRESSAVG: 2558400 -17.7524 -4.96918 -28.8294 -4.96921 59.0028 -20.5686 -28.8294 -20.5685 -21.8412 GPRESSAVG: 2558400 -18.0829 -4.35754 -30.1801 -5.02925 58.5747 -22.0779 -28.635 -20.4734 -20.7592 TIMING: 2558400 CPU: 8160.35, 0.00316922/step Wall: 8160.35, 0.00316922/step, 2.14943 hours remaining, 233.160156 MB of memory in use. ENERGY: 2558400 4031.3734 20657.2799 14514.5794 246.9818 -203847.3508 2734.0045 0.0000 0.0000 51970.7884 -109692.3434 298.6768 -161663.1319 -109343.3008 299.0563 78.9641 105.6971 760840.9853 6.4698 6.5775 PRESSURE: 2558600 -1.10477 -57.7858 67.3274 -57.7855 102.908 -97.7046 67.3276 -97.7045 -58.3947 GPRESSURE: 2558600 89.4302 -93.6482 22.3102 -67.5462 98.3183 -162.702 79.7404 -71.3397 -26.0279 PRESSAVG: 2558600 -34.934 -9.13701 -17.5373 -9.13701 4.35741 -2.41664 -17.5373 -2.41662 13.3641 GPRESSAVG: 2558600 -33.5653 -10.745 -18.2031 -10.7304 3.61913 -1.41443 -16.9003 -0.080904 13.2183 TIMING: 2558600 CPU: 8160.99, 0.00318273/step Wall: 8160.99, 0.00318273/step, 2.15842 hours remaining, 233.160156 MB of memory in use. ENERGY: 2558600 4007.5341 20643.6759 14581.9282 230.6275 -203116.1784 2267.6607 0.0000 0.0000 51748.8812 -109635.8708 297.4015 -161384.7520 -109272.9340 299.0948 14.4696 53.9068 760679.4688 -5.7375 -5.5760 PRESSURE: 2558800 -481.613 -108.944 245.307 -108.945 -190.966 -316.01 245.307 -316.011 78.6219 GPRESSURE: 2558800 -460.079 -123.892 373.326 -145.203 -142.017 -398.915 79.2339 -336.137 120.784 PRESSAVG: 2558800 -20.2471 -14.8596 -9.3558 -14.8596 31.9723 36.0531 -9.35577 36.0532 -3.71578 GPRESSAVG: 2558800 -19.4875 -15.4697 -6.81615 -12.2382 32.1984 36.9666 -10.924 33.754 -4.26291 TIMING: 2558800 CPU: 8161.62, 0.0031754/step Wall: 8161.62, 0.0031754/step, 2.15327 hours remaining, 233.160156 MB of memory in use. ENERGY: 2558800 3991.3880 20321.1312 14487.7088 241.0495 -203071.8885 2324.7575 0.0000 0.0000 52005.1321 -109700.7214 298.8742 -161705.8535 -109328.1311 298.6648 -197.9859 -160.4376 762134.4804 2.6698 2.8160 PRESSURE: 2559000 -159.577 -116.664 -223.409 -116.664 299.877 67.7538 -223.41 67.7532 -210.33 GPRESSURE: 2559000 -169.698 -97.3413 -189.734 -118.555 324.308 22.9661 -140.38 110.136 -137.139 PRESSAVG: 2559000 21.8102 -25.6105 -33.021 -25.6105 -3.60286 -17.6656 -33.021 -17.6656 0.531565 GPRESSAVG: 2559000 21.0389 -25.5282 -35.0641 -25.1965 -2.46388 -19.0887 -33.12 -16.7638 0.0870719 TIMING: 2559000 CPU: 8162.26, 0.00317363/step Wall: 8162.26, 0.00317363/step, 2.1519 hours remaining, 233.160156 MB of memory in use. ENERGY: 2559000 3947.3928 20411.6901 14516.7854 244.3232 -203537.4281 2591.5217 0.0000 0.0000 51988.7802 -109836.9346 298.7802 -161825.7149 -109474.2421 298.5484 -23.3437 5.8237 762893.0387 6.2463 6.2207 PRESSURE: 2559200 17.4437 -36.5051 30.5414 -36.5056 -341.935 360.974 30.5417 360.974 402.65 GPRESSURE: 2559200 12.6115 -22.9835 76.003 -64.4243 -190.713 281.113 -21.5394 295.044 328.241 PRESSAVG: 2559200 17.1826 -33.8203 -29.1295 -33.8203 -28.8291 47.7679 -29.1295 47.7679 1.04404 GPRESSAVG: 2559200 16.7106 -34.569 -29.1271 -34.7165 -29.2167 46.3522 -27.32 47.8157 1.04616 TIMING: 2559200 CPU: 8162.89, 0.00316559/step Wall: 8162.89, 0.00316559/step, 2.14627 hours remaining, 233.160156 MB of memory in use. ENERGY: 2559200 3977.4632 20557.0723 14566.0434 225.4352 -203343.4924 2564.1667 0.0000 0.0000 51902.2003 -109551.1113 298.2827 -161453.3116 -109193.9991 298.5132 26.0528 50.0468 762585.3520 -3.5342 -3.8200 PRESSURE: 2559400 365.142 87.1635 -225.162 87.1634 414.006 36.9269 -225.163 36.9266 95.257 GPRESSURE: 2559400 449.669 26.1877 -210.393 -10.6769 351.896 36.5389 -247.465 84.0578 151.2 PRESSAVG: 2559400 -45.1758 -1.16319 -38.9645 -1.16326 40.1577 55.9856 -38.9645 55.9857 -14.2408 GPRESSAVG: 2559400 -45.4118 0.758606 -36.5714 -0.63151 40.747 56.2041 -41.282 56.2918 -14.2979 TIMING: 2559400 CPU: 8163.52, 0.00315312/step Wall: 8163.52, 0.00315312/step, 2.13764 hours remaining, 233.160156 MB of memory in use. ENERGY: 2559400 4016.6708 20520.0199 14590.7962 244.4679 -203593.3451 2793.2133 0.0000 0.0000 52012.2715 -109415.9055 298.9152 -161428.1770 -109059.2734 299.2692 291.4683 317.5883 762479.8644 -6.4196 -6.3209 PRESSURE: 2559600 -77.8769 3.81375 146.641 3.81292 -407.577 68.5444 146.641 68.5432 -73.2116 GPRESSURE: 2559600 -85.1994 -122.731 88.4012 17.6709 -304.266 54.6496 65.2498 56.4179 -60.897 PRESSAVG: 2559600 12.9972 -20.8978 18.5956 -20.8978 2.90199 65.9372 18.5955 65.9372 8.79064 GPRESSAVG: 2559600 13.5686 -22.7103 16.3743 -20.4173 2.05502 67.7671 20.7648 63.6164 8.96684 TIMING: 2559600 CPU: 8164.15, 0.00315157/step Wall: 8164.15, 0.00315157/step, 2.13641 hours remaining, 233.160156 MB of memory in use. ENERGY: 2559600 3984.8173 20488.6955 14546.4776 255.2703 -203124.1954 2652.3854 0.0000 0.0000 51899.9049 -109296.6444 298.2695 -161196.5493 -108946.9682 299.7127 -186.2220 -150.1208 761890.1152 8.2300 8.1968 PRESSURE: 2559800 335.708 -45.0012 -35.9778 -44.9994 73.3607 -189.955 -35.978 -189.955 -59.7109 GPRESSURE: 2559800 460.816 -10.0886 -10.9894 -85.1677 -23.9088 -198.43 -23.4518 -105.788 -1.86188 PRESSAVG: 2559800 59.9135 -61.8154 14.6008 -61.8154 -92.6227 22.0551 14.6008 22.055 -16.7465 GPRESSAVG: 2559800 60.545 -59.3403 16.5437 -62.6819 -93.2619 21.0951 14.9408 23.5517 -16.9248 TIMING: 2559800 CPU: 8164.78, 0.0031507/step Wall: 8164.78, 0.00315071/step, 2.13565 hours remaining, 233.160156 MB of memory in use. ENERGY: 2559800 4028.3941 20181.0852 14558.4487 243.3532 -203623.7801 2899.4937 0.0000 0.0000 52177.5134 -109535.4918 299.8649 -161713.0052 -109180.2555 299.3411 116.4526 145.0151 760708.8996 -16.4853 -16.5473 PRESSURE: 2560000 184.395 59.291 -257.48 59.2897 65.4269 -113.923 -257.48 -113.923 -141.788 GPRESSURE: 2560000 256.972 100.28 -257.435 -2.27088 20.1564 -130.503 -267.578 -89.7161 -84.9477 PRESSAVG: 2560000 15.4381 -7.12679 25.6154 -7.1268 21.0819 6.36352 25.6154 6.36355 19.3689 GPRESSAVG: 2560000 14.9366 -11.3587 23.5057 -5.57267 21.7576 6.56748 23.2064 4.89364 19.093 TIMING: 2560000 CPU: 8165.41, 0.00314963/step Wall: 8165.41, 0.00314963/step, 2.13475 hours remaining, 233.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2560000 3884.9312 20438.7693 14547.8560 238.6467 -203231.1635 2550.4728 0.0000 0.0000 52071.0237 -109499.4636 299.2529 -161570.4873 -109151.8826 298.9832 36.0113 64.0604 762110.2248 18.6297 18.5957 PRESSURE: 2560200 -58.5806 109.1 -232.099 109.1 -158.217 68.1463 -232.099 68.1466 -351.867 GPRESSURE: 2560200 -28.0822 60.7834 -205.518 16.6184 -108.497 43.1953 -195.543 48.0341 -340.487 PRESSAVG: 2560200 30.8822 -29.9676 -12.3316 -29.9676 -14.2813 3.41066 -12.3315 3.41064 7.70552 GPRESSAVG: 2560200 30.113 -26.4328 -11.3688 -31.2478 -14.6622 2.32692 -11.3064 4.0803 8.29294 TIMING: 2560200 CPU: 8166.04, 0.00315855/step Wall: 8166.04, 0.00315855/step, 2.14062 hours remaining, 233.160156 MB of memory in use. ENERGY: 2560200 3937.3935 20339.1217 14522.5697 256.5901 -203350.0875 2590.9753 0.0000 0.0000 52185.8602 -109517.5769 299.9129 -161703.4371 -109152.0567 299.1456 -189.5549 -159.0220 761796.1490 8.1021 7.9146 LDB: ============= START OF LOAD BALANCING ============== 8178.47 LDB: ============== END OF LOAD BALANCING =============== 8178.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8178.47 LDB: ============= START OF LOAD BALANCING ============== 8178.78 LDB: Largest compute 7035 load 0.033607 is 17.2% of average load 0.195444 LDB: Average compute 0.004395 is 2.2% of average load 0.195444 LDB: TIME 8178.79 LOAD: AVG 0.195444 MAX 0.215766 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.418 MB LDB: TIME 8178.79 LOAD: AVG 0.195444 MAX 0.215766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 8178.79 LOAD: AVG 0.195444 MAX 0.215766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 8178.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8178.79 PRESSURE: 2560400 152.488 -55.9217 -117.447 -55.9211 220.32 -152.831 -117.446 -152.832 355.523 GPRESSURE: 2560400 130.029 109.771 -176.732 -185.281 250.06 -133.788 -88.4944 -44.9556 434.835 PRESSAVG: 2560400 23.1686 -46.3381 65.2724 -46.3381 -18.6601 29.3493 65.2724 29.3493 -5.47287 GPRESSAVG: 2560400 22.4973 -45.152 66.7099 -46.176 -18.7097 30.9003 66.1884 30.1213 -5.04752 TIMING: 2560400 CPU: 8166.69, 0.00321696/step Wall: 8166.69, 0.00321696/step, 2.18002 hours remaining, 235.535156 MB of memory in use. ENERGY: 2560400 3996.0702 20517.7781 14495.9779 239.7827 -203251.6250 2539.1797 0.0000 0.0000 52014.8896 -109447.9468 298.9303 -161462.8364 -109098.9756 299.3318 242.7768 271.6412 761221.1220 -0.3215 -0.4200 PRESSURE: 2560600 -64.0136 207.367 -4.08247 207.367 -103.759 49.2889 -4.08245 49.2891 -299.113 GPRESSURE: 2560600 -52.291 326.993 -71.618 107.053 -75.9893 89.8866 -164.218 56.2559 -263.109 PRESSAVG: 2560600 58.8901 3.01442 -17.3904 3.01438 -9.47581 16.973 -17.3905 16.9731 5.99477 GPRESSAVG: 2560600 60.3716 0.455845 -18.7787 4.18379 -10.1233 16.6565 -17.667 17.3453 4.82995 TIMING: 2560600 CPU: 8167.32, 0.00314212/step Wall: 8167.32, 0.00314212/step, 2.12913 hours remaining, 235.535156 MB of memory in use. ENERGY: 2560600 4068.4638 20444.8997 14503.5537 255.2785 -202926.1708 2189.5548 0.0000 0.0000 52092.0458 -109372.3745 299.3737 -161464.4203 -109007.0503 299.1826 -155.6287 -130.4630 761402.0851 18.4697 18.3594 PRESSURE: 2560800 -185.182 -84.9805 -153.91 -84.9801 -119.492 -5.43035 -153.911 -5.42998 -198.34 GPRESSURE: 2560800 -238.595 -171.685 -145.706 -110.725 -101.021 -35.8877 -273.259 -118.996 -66.6717 PRESSAVG: 2560800 -10.6469 18.9506 -16.0102 18.9505 17.3736 34.712 -16.0102 34.712 -7.0426 GPRESSAVG: 2560800 -12.0942 20.072 -15.7515 17.2603 18.041 34.837 -17.9006 34.2112 -6.45108 TIMING: 2560800 CPU: 8167.94, 0.00314647/step Wall: 8167.94, 0.00314647/step, 2.13191 hours remaining, 235.792969 MB of memory in use. ENERGY: 2560800 4043.1412 20729.6944 14457.6033 224.9457 -202905.3321 1982.5568 0.0000 0.0000 52081.2722 -109386.1184 299.3118 -161467.3906 -109020.5511 299.6562 -167.6714 -135.4292 761078.0727 -0.1053 -0.1681 PRESSURE: 2561000 -201.351 31.6754 -168.692 31.6741 -306.044 164.81 -168.691 164.811 -340.227 GPRESSURE: 2561000 -159.13 -17.5033 -164.014 130.658 -234.877 211.896 -86.4224 113.204 -388.482 PRESSAVG: 2561000 0.24801 6.79737 -9.81773 6.79734 -10.9041 7.48137 -9.81773 7.48132 13.4627 GPRESSAVG: 2561000 1.28931 6.56628 -10.4656 6.00468 -10.754 6.0155 -6.44538 6.14623 12.2858 TIMING: 2561000 CPU: 8168.57, 0.00314463/step Wall: 8168.57, 0.00314463/step, 2.13048 hours remaining, 235.792969 MB of memory in use. ENERGY: 2561000 3991.5276 20519.8097 14497.7515 240.2771 -203119.0765 2306.9683 0.0000 0.0000 52116.3340 -109446.4082 299.5133 -161562.7421 -109088.6803 299.2271 -282.5409 -260.8295 762439.7220 0.9356 0.9403 PRESSURE: 2561200 342.901 89.2436 -193.557 89.2433 359.393 142.105 -193.557 142.104 17.758 GPRESSURE: 2561200 363.844 -51.1023 -219.442 105.262 379.789 160.242 -85.1343 177.276 59.1257 PRESSAVG: 2561200 -4.75183 -70.8206 -10.0217 -70.8206 -7.49164 6.68019 -10.0216 6.68028 -3.96011 GPRESSAVG: 2561200 -5.01419 -71.9337 -7.86717 -68.3689 -8.71974 6.88794 -11.7517 8.07344 -2.26578 TIMING: 2561200 CPU: 8169.2, 0.00315665/step Wall: 8169.2, 0.00315665/step, 2.13846 hours remaining, 235.792969 MB of memory in use. ENERGY: 2561200 3974.4424 20535.5636 14582.8954 223.9451 -203370.8536 2733.3763 0.0000 0.0000 51996.8263 -109323.8044 298.8265 -161320.6307 -108974.7183 299.4116 240.0172 267.5863 760766.8954 -5.4012 -5.3332 PRESSURE: 2561400 -186.863 -185.388 -108.654 -185.389 -330.6 89.977 -108.654 89.9779 -244.401 GPRESSURE: 2561400 -152.556 -197.828 -72.0299 -183.66 -245.365 112.175 -103.283 -66.6421 -258.606 PRESSAVG: 2561400 -23.5855 -47.9157 36.9835 -47.9157 16.4382 -10.5882 36.9834 -10.5882 7.89021 GPRESSAVG: 2561400 -23.8781 -47.9213 35.3932 -47.5887 17.5426 -9.87603 38.6986 -10.9212 7.89786 TIMING: 2561400 CPU: 8169.83, 0.00314585/step Wall: 8169.83, 0.00314585/step, 2.13096 hours remaining, 235.792969 MB of memory in use. ENERGY: 2561400 3894.8264 20545.5290 14521.7359 248.7745 -202724.0296 2194.7423 0.0000 0.0000 52066.7067 -109251.7148 299.2281 -161318.4215 -108888.6333 299.4409 -253.9545 -218.8424 760439.2301 0.2477 0.5208 PRESSURE: 2561600 -13.8289 123.592 210.939 123.592 -118.588 11.4751 210.939 11.4749 -334.515 GPRESSURE: 2561600 -49.5207 33.0055 152.785 203.232 -60.4968 12.8561 238.875 136.773 -286.184 PRESSAVG: 2561600 -3.64444 -53.3886 1.41101 -53.3886 -6.18939 0.51304 1.41097 0.513059 1.5694 GPRESSAVG: 2561600 -2.7912 -53.6928 3.84968 -54.0733 -5.72835 -0.0394838 -0.102806 1.54444 0.591862 TIMING: 2561600 CPU: 8170.47, 0.00316397/step Wall: 8170.47, 0.00316397/step, 2.14306 hours remaining, 235.792969 MB of memory in use. ENERGY: 2561600 4002.9682 20507.7934 14576.6175 242.5206 -203023.7456 2395.4855 0.0000 0.0000 52144.9654 -109153.3951 299.6778 -161298.3605 -108794.5041 299.9515 -155.6440 -132.0670 761633.4229 -2.7548 -2.6426 PRESSURE: 2561800 119.526 -244.71 26.2449 -244.71 481.003 -146.97 26.2453 -146.969 77.4473 GPRESSURE: 2561800 197.348 -235.886 -67.5203 -239.039 432.14 -43.2884 79.5711 -121.149 156.797 PRESSAVG: 2561800 -18.165 -60.1232 14.9845 -60.1232 11.4942 44.7135 14.9845 44.7135 16.6243 GPRESSAVG: 2561800 -18.6047 -58.7578 13.3145 -60.7697 11.7136 44.8983 17.1129 43.9917 17.1056 TIMING: 2561800 CPU: 8171.1, 0.00317893/step Wall: 8171.1, 0.00317893/step, 2.15302 hours remaining, 235.792969 MB of memory in use. ENERGY: 2561800 4006.5445 20537.8194 14479.3190 262.1933 -203429.8061 2722.2777 0.0000 0.0000 52310.8239 -109110.8283 300.6310 -161421.6523 -108749.2345 300.4034 225.9921 262.0950 759647.1831 3.3178 3.4049 PRESSURE: 2562000 417.03 -98.8654 16.1766 -98.8661 -372.983 211.897 16.1769 211.897 303.697 GPRESSURE: 2562000 422.573 -157.536 127.52 -144.238 -266 123.27 -45.1581 119.116 268.751 PRESSAVG: 2562000 34.6152 15.0101 25.7435 15.0101 -22.8019 5.74409 25.7434 5.74409 18.878 GPRESSAVG: 2562000 36.2326 17.0975 25.6183 14.7953 -23.3968 4.02659 25.2807 5.21118 18.5175 TIMING: 2562000 CPU: 8171.74, 0.00317016/step Wall: 8171.74, 0.00317016/step, 2.1469 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2562000 3996.1258 20681.7079 14508.8384 237.3295 -203326.4134 2578.3277 0.0000 0.0000 52111.5167 -109212.5674 299.4856 -161324.0840 -108858.1401 299.9816 115.9146 141.7750 760608.4929 10.2304 10.4511 PRESSURE: 2562200 -437.902 -90.3837 139.948 -90.3839 -211.671 -44.8212 139.948 -44.8201 -349.425 GPRESSURE: 2562200 -288.787 -58.7012 189.214 25.1513 -214.123 32.6474 92.056 18.7168 -393.698 PRESSAVG: 2562200 32.6153 -45.0139 38.7384 -45.0139 -2.58991 69.9275 38.7384 69.9275 0.979361 GPRESSAVG: 2562200 33.552 -45.8849 39.203 -45.1608 -3.61329 70.9186 36.9192 71.306 1.62435 TIMING: 2562200 CPU: 8172.37, 0.00314288/step Wall: 8172.37, 0.00314288/step, 2.12825 hours remaining, 235.792969 MB of memory in use. ENERGY: 2562200 4024.3295 20281.3595 14580.5729 242.4356 -203159.8278 2303.0125 0.0000 0.0000 52395.0646 -109333.0531 301.1152 -161728.1178 -108963.5670 300.0623 -332.9996 -298.8696 760335.2267 10.3349 10.5210 PRESSURE: 2562400 -84.6628 145.392 172.349 145.392 -190.253 56.7301 172.349 56.7294 -77.6071 GPRESSURE: 2562400 -134.441 160.607 129.621 91.9572 -128.372 37.9105 175.591 -43.8386 -21.4451 PRESSAVG: 2562400 23.0491 -33.5707 38.7642 -33.5707 3.51626 60.2577 38.7643 60.2576 17.1108 GPRESSAVG: 2562400 20.953 -34.4684 39.1564 -34.4445 4.93805 59.7254 40.2907 58.538 16.8489 TIMING: 2562400 CPU: 8173, 0.00315456/step Wall: 8173, 0.00315456/step, 2.13599 hours remaining, 235.792969 MB of memory in use. ENERGY: 2562400 4045.7148 20399.8414 14541.5223 243.7249 -202917.9068 2191.5881 0.0000 0.0000 52098.3095 -109397.2058 299.4097 -161495.5153 -109037.2270 299.5688 -117.5077 -94.7527 760639.2835 14.5587 14.2466 PRESSURE: 2562600 18.6641 -109.09 -102.998 -109.09 274.819 278.13 -102.998 278.131 217.489 GPRESSURE: 2562600 22.4646 -20.7111 -142.436 -176.031 308.439 393.266 -198.733 32.2906 280.514 PRESSAVG: 2562600 22.4922 -58.7149 -26.2082 -58.7149 -52.9405 37.0948 -26.2082 37.0949 -17.8409 GPRESSAVG: 2562600 22.8018 -58.0523 -26.1077 -58.498 -53.9762 37.4059 -26.3867 36.3874 -17.1857 TIMING: 2562600 CPU: 8173.63, 0.00317479/step Wall: 8173.63, 0.00317479/step, 2.14951 hours remaining, 235.792969 MB of memory in use. ENERGY: 2562600 3998.1336 20547.2323 14503.9651 232.8043 -203227.0626 2528.5517 0.0000 0.0000 52033.4666 -109382.9089 299.0370 -161416.3756 -109029.2926 299.3922 170.3241 203.8062 759499.4196 -16.0964 -16.1200 PRESSURE: 2562800 -216.449 40.5604 -165.685 40.5601 -241.087 110.848 -165.685 110.849 264.919 GPRESSURE: 2562800 -115.786 144.926 -156.553 116.34 -223.263 69.2851 -73.4524 247.641 254.938 PRESSAVG: 2562800 24.2524 -44.8841 -16.7697 -44.8841 5.29169 51.2444 -16.7697 51.2444 12.343 GPRESSAVG: 2562800 25.0357 -45.3779 -18.2244 -45.5464 6.22323 51.2781 -16.7384 54.4696 11.5422 TIMING: 2562800 CPU: 8174.26, 0.003164/step Wall: 8174.26, 0.003164/step, 2.14203 hours remaining, 235.792969 MB of memory in use. ENERGY: 2562800 3943.0153 20482.1150 14463.1239 240.3154 -203268.5171 2394.7275 0.0000 0.0000 52347.7033 -109397.5167 300.8430 -161745.2200 -109033.7134 299.7383 -64.2058 -28.0370 760975.9773 13.9624 14.2670 PRESSURE: 2563000 10.8411 156.247 312.628 156.246 7.126 -65.5726 312.627 -65.5733 -14.5208 GPRESSURE: 2563000 123.684 123.571 375.058 73.6283 -32.6512 -126.902 133.899 -47.963 -11.8134 PRESSAVG: 2563000 -15.8157 -19.2232 -3.73063 -19.2233 31.1542 28.7934 -3.73061 28.7935 1.03003 GPRESSAVG: 2563000 -15.6559 -20.2608 -2.29073 -18.9138 30.8199 28.1822 -5.00421 28.7983 1.16837 TIMING: 2563000 CPU: 8174.9, 0.00315745/step Wall: 8174.9, 0.00315745/step, 2.13742 hours remaining, 235.792969 MB of memory in use. ENERGY: 2563000 4009.9515 20505.6884 14470.1063 262.1267 -203400.8900 2451.5935 0.0000 0.0000 52243.1875 -109458.2359 300.2423 -161701.4234 -109098.0758 298.7999 1.1488 26.4065 761086.1218 5.4562 5.4441 PRESSURE: 2563200 88.3218 -41.2131 -234.02 -41.2145 -264.122 211.805 -234.02 211.805 -197.671 GPRESSURE: 2563200 70.9847 -192.511 -117.717 86.3445 -153.058 257.727 -190.759 197.235 -200.076 PRESSAVG: 2563200 -69.2717 -74.0064 -22.9212 -74.0064 34.2246 2.81901 -22.9212 2.81899 -27.9862 GPRESSAVG: 2563200 -69.1544 -74.7238 -23.1543 -73.0567 34.262 3.41346 -21.7487 0.0359922 -28.2091 TIMING: 2563200 CPU: 8175.53, 0.00316763/step Wall: 8175.53, 0.00316763/step, 2.14414 hours remaining, 235.792969 MB of memory in use. ENERGY: 2563200 3940.9269 20457.6923 14485.6742 219.4881 -202858.4148 2229.2179 0.0000 0.0000 52218.5363 -109306.8792 300.1006 -161525.4155 -108942.7219 299.2289 -124.4902 -94.0500 760261.3514 -21.0111 -21.0338 PRESSURE: 2563400 93.3789 -79.2737 17.5577 -79.2745 150.03 -30.3284 17.5581 -30.3274 29.0926 GPRESSURE: 2563400 32.186 -48.4531 63.3682 -56.8542 272.138 -181.482 -45.291 -21.5392 79.8013 PRESSAVG: 2563400 -19.7674 5.97754 -25.6113 5.97758 9.87546 27.1021 -25.6113 27.1021 -9.41165 GPRESSAVG: 2563400 -20.5499 7.11535 -25.0158 6.66895 10.0884 26.9286 -26.4627 28.5372 -7.93081 TIMING: 2563400 CPU: 8176.16, 0.00316764/step Wall: 8176.16, 0.00316764/step, 2.14396 hours remaining, 235.792969 MB of memory in use. ENERGY: 2563400 3954.9225 20380.0648 14525.0884 258.6800 -203103.6158 2477.0809 0.0000 0.0000 52182.6847 -109325.0945 299.8946 -161507.7792 -108961.8006 299.3227 90.8338 128.0416 759966.6663 -6.4345 -6.1308 PRESSURE: 2563600 -185.77 -114.346 -125.555 -114.347 -317.43 149.853 -125.556 149.852 -388.488 GPRESSURE: 2563600 -182.429 -112.056 -111.315 -95.3645 -227.875 182.131 -277.071 202.164 -379.33 PRESSAVG: 2563600 -2.56353 -14.6489 19.0811 -14.649 8.60493 45.4928 19.081 45.4928 3.04972 GPRESSAVG: 2563600 -2.18869 -14.7591 18.1089 -15.1477 8.53831 45.7258 19.5241 47.3347 2.56246 TIMING: 2563600 CPU: 8176.79, 0.00314892/step Wall: 8176.79, 0.00314892/step, 2.13112 hours remaining, 235.792969 MB of memory in use. ENERGY: 2563600 4083.1165 20382.0073 14533.3765 252.1004 -202935.5929 2156.6548 0.0000 0.0000 52157.4635 -109370.8739 299.7497 -161528.3374 -108999.6456 299.5588 -297.2292 -263.2111 762283.9730 3.0304 2.9707 PRESSURE: 2563800 105.988 -23.1329 -110.001 -23.1335 -360.24 182.762 -110.001 182.763 -194.042 GPRESSURE: 2563800 190.775 -69.2732 -73.7823 -40.9014 -306.152 144.507 -123.141 -18.8541 -234.57 PRESSAVG: 2563800 28.5806 15.7036 -47.0098 15.7035 1.26093 45.0477 -47.0098 45.0476 12.3824 GPRESSAVG: 2563800 28.8693 14.7907 -46.3973 15.2248 2.68494 46.8178 -47.8635 40.4222 11.2887 TIMING: 2563800 CPU: 8177.42, 0.00314062/step Wall: 8177.42, 0.00314062/step, 2.12532 hours remaining, 235.792969 MB of memory in use. ENERGY: 2563800 3928.0529 20383.5684 14567.3759 238.9388 -203004.4643 2295.3982 0.0000 0.0000 52388.0716 -109203.0583 301.0750 -161591.1300 -108836.7533 299.3402 -149.4313 -116.6488 761271.1336 14.0746 14.2810 PRESSURE: 2564000 -134.706 134.634 124.857 134.634 -92.0135 55.5558 124.857 55.5557 -209.986 GPRESSURE: 2564000 -119.087 116.418 142.118 -3.98527 -34.1817 58.2935 323.918 90.1903 -184.166 PRESSAVG: 2564000 -51.738 -9.87178 9.83755 -9.87181 -19.4376 -7.98517 9.83747 -7.98528 -16.3881 GPRESSAVG: 2564000 -50.8026 -7.93973 9.13501 -9.48947 -21.5362 -8.60247 11.5221 -7.67318 -15.1101 TIMING: 2564000 CPU: 8178.05, 0.00315739/step Wall: 8178.05, 0.00315739/step, 2.1365 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2564000 3992.2389 20218.0808 14613.5153 253.8914 -202931.6722 2477.4944 0.0000 0.0000 51965.5367 -109410.9147 298.6467 -161376.4514 -109043.1913 299.0653 -145.5683 -112.4780 760871.1638 -29.1879 -29.1496 PRESSURE: 2564200 -87.486 -108.622 -164.354 -108.621 -206.399 114.105 -164.353 114.106 -220.052 GPRESSURE: 2564200 -126.75 -96.0981 -234.742 -122.732 -127.051 133.715 -166.998 145.688 -176.851 PRESSAVG: 2564200 34.488 -25.035 -41.6642 -25.0351 20.3747 34.8195 -41.6643 34.8196 13.9018 GPRESSAVG: 2564200 35.2236 -25.8086 -42.9657 -23.8626 20.2405 34.6168 -40.3264 36.329 13.2865 TIMING: 2564200 CPU: 8178.69, 0.00317745/step Wall: 8178.69, 0.00317745/step, 2.1499 hours remaining, 235.792969 MB of memory in use. ENERGY: 2564200 4065.0213 20539.1538 14445.1841 241.6286 -202398.3408 1889.9120 0.0000 0.0000 51854.9630 -109362.4780 298.0112 -161217.4410 -108995.3789 299.4977 -171.3124 -143.5507 760984.3343 22.9215 22.9169 LDB: ============= START OF LOAD BALANCING ============== 8191.11 LDB: ============== END OF LOAD BALANCING =============== 8191.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8191.11 LDB: ============= START OF LOAD BALANCING ============== 8191.43 LDB: Largest compute 7031 load 0.034567 is 17.7% of average load 0.195465 LDB: Average compute 0.004391 is 2.2% of average load 0.195465 LDB: TIME 8191.43 LOAD: AVG 0.195465 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 8191.43 LOAD: AVG 0.195465 MAX 0.215368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 8191.43 LOAD: AVG 0.195465 MAX 0.215368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 8191.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8191.44 PRESSURE: 2564400 71.7537 -25.2671 218.5 -25.2659 114.315 -11.5012 218.499 -11.5007 414.765 GPRESSURE: 2564400 139.566 -12.1892 259.252 -66.7463 118.001 71.7977 125.036 76.3744 416.541 PRESSAVG: 2564400 10.1343 -3.54583 -9.861 -3.54582 39.5117 34.794 -9.86105 34.794 26.3436 GPRESSAVG: 2564400 8.72343 -5.21591 -8.98508 -2.99769 41.0264 34.5849 -9.63556 36.1168 25.968 TIMING: 2564400 CPU: 8179.33, 0.00323261/step Wall: 8179.33, 0.00323261/step, 2.18704 hours remaining, 233.804688 MB of memory in use. ENERGY: 2564400 3903.8359 20386.0736 14518.6861 231.8035 -203935.4969 2914.6580 0.0000 0.0000 52669.9204 -109310.5195 302.6948 -161980.4399 -108940.4643 299.5024 200.2778 224.7025 757903.8057 25.3299 25.2393 PRESSURE: 2564600 -195.953 27.8806 -6.14029 27.8808 -62.129 145.259 -6.1396 145.259 -156.683 GPRESSURE: 2564600 -174.353 93.8523 -13.9368 197.614 -44.2859 77.9527 -41.1959 96.1803 -97.6276 PRESSAVG: 2564600 4.49895 -2.46376 51.4317 -2.46373 -45.1432 36.0042 51.4317 36.0043 -20.8812 GPRESSAVG: 2564600 4.82631 -0.779175 52.1715 -2.86778 -45.5867 36.141 47.3525 33.9793 -20.5345 TIMING: 2564600 CPU: 8179.97, 0.00316306/step Wall: 8179.97, 0.00316306/step, 2.13981 hours remaining, 234.007812 MB of memory in use. ENERGY: 2564600 3998.2036 20491.0445 14582.5518 237.8433 -203281.2594 2370.4084 0.0000 0.0000 52281.5737 -109319.6340 300.4629 -161601.2078 -108953.3875 299.6396 -138.2548 -105.4220 760013.8742 -20.5085 -20.4316 PRESSURE: 2564800 -172.75 185.531 385.131 185.532 87.583 -39.1025 385.13 -39.1025 191.346 GPRESSURE: 2564800 -90.6183 22.7417 375.095 203.784 47.1482 10.9499 507.214 -113.474 215.661 PRESSAVG: 2564800 -11.786 46.0103 -3.4568 46.0103 31.2317 57.7036 -3.45672 57.7037 12.1563 GPRESSAVG: 2564800 -11.7068 44.7765 -3.27001 46.4801 30.8322 57.79 0.125227 58.2719 12.2832 TIMING: 2564800 CPU: 8180.6, 0.00317253/step Wall: 8180.6, 0.00317253/step, 2.14604 hours remaining, 234.007812 MB of memory in use. ENERGY: 2564800 4033.4155 20453.8069 14578.5546 244.0114 -203185.6940 2512.6846 0.0000 0.0000 52076.1167 -109287.1043 299.2822 -161363.2210 -108914.5369 299.5702 35.3929 57.3969 761578.8109 10.5340 10.4695 PRESSURE: 2565000 287.333 -209.142 214.296 -209.142 402.907 36.2724 214.295 36.2719 113.503 GPRESSURE: 2565000 363.959 -139.73 224.997 -151.808 401.952 61.5317 258.705 108.132 128.103 PRESSAVG: 2565000 8.20098 -25.1481 34.9706 -25.1481 -1.64788 46.2859 34.9707 46.2859 0.280948 GPRESSAVG: 2565000 8.16908 -23.8748 33.5666 -27.4293 -1.13363 45.482 35.1571 46.3221 -0.569937 TIMING: 2565000 CPU: 8181.24, 0.00317032/step Wall: 8181.24, 0.00317032/step, 2.14437 hours remaining, 234.007812 MB of memory in use. ENERGY: 2565000 3971.8319 20547.2033 14475.9724 229.0351 -203468.8081 2727.4732 0.0000 0.0000 52098.4785 -109418.8137 299.4107 -161517.2922 -109072.9770 299.2546 267.9141 298.0049 760108.1932 2.2780 2.1552 PRESSURE: 2565200 189.969 -6.18902 -169.491 -6.18943 -239.837 -296.812 -169.49 -296.811 164.304 GPRESSURE: 2565200 313.603 89.6314 -270.511 41.1671 -209.533 -255.774 -251.735 -429.992 81.8553 PRESSAVG: 2565200 53.6006 -30.0181 41.9316 -30.0182 -18.502 -22.1877 41.9316 -22.1877 12.1923 GPRESSAVG: 2565200 54.3101 -31.1283 42.2771 -30.0633 -19.9029 -23.5019 40.5675 -22.3395 13.1807 TIMING: 2565200 CPU: 8181.86, 0.00314712/step Wall: 8181.86, 0.00314711/step, 2.1285 hours remaining, 234.007812 MB of memory in use. ENERGY: 2565200 3930.1221 20322.2064 14548.0930 259.1326 -203454.7171 2551.4781 0.0000 0.0000 52199.4164 -109644.2686 299.9908 -161843.6850 -109290.0606 298.4286 38.1449 61.9748 760828.6624 15.7636 15.8626 PRESSURE: 2565400 161.334 -40.5916 -155.208 -40.5903 -116.267 -274.036 -155.209 -274.037 -237.823 GPRESSURE: 2565400 224.248 -48.5793 -222.327 -165.699 -135.96 -263.916 -45.7068 -162.641 -190.801 PRESSAVG: 2565400 19.0614 23.7307 54.7556 23.7308 -35.4504 16.5533 54.7556 16.5533 4.05328 GPRESSAVG: 2565400 18.9375 24.2686 56.408 25.1914 -34.5729 18.4124 54.1676 16.9997 3.40313 TIMING: 2565400 CPU: 8182.49, 0.00314502/step Wall: 8182.49, 0.00314503/step, 2.12691 hours remaining, 234.007812 MB of memory in use. ENERGY: 2565400 3971.5299 20561.6107 14614.0421 239.0545 -203787.3713 2671.2592 0.0000 0.0000 52160.2902 -109569.5846 299.7659 -161729.8749 -109206.3131 299.2629 -64.2519 -34.1709 760368.3102 -4.1119 -4.0774 PRESSURE: 2565600 128.228 33.8858 225.252 33.8866 -295.247 63.3515 225.251 63.3517 135.643 GPRESSURE: 2565600 48.9793 104.932 181.761 -28.6083 -166.99 162.392 199.654 -94.7589 174.726 PRESSAVG: 2565600 49.7391 -80.3806 -15.359 -80.3806 -50.9167 28.4002 -15.359 28.4002 -13.3575 GPRESSAVG: 2565600 48.8987 -81.9338 -16.0935 -79.7212 -50.464 27.1929 -15.8277 27.8335 -12.6421 TIMING: 2565600 CPU: 8183.12, 0.00313836/step Wall: 8183.12, 0.00313836/step, 2.12223 hours remaining, 234.007812 MB of memory in use. ENERGY: 2565600 3977.4512 20515.6919 14579.3769 260.2774 -203711.0975 2429.9069 0.0000 0.0000 52319.5208 -109628.8723 300.6810 -161948.3932 -109264.0946 299.3565 -10.4588 18.9050 759507.3543 -4.8450 -4.7358 PRESSURE: 2565800 160.369 -74.6669 35.5378 -74.6664 -327.603 -27.9126 35.5369 -27.9138 -453.45 GPRESSURE: 2565800 130.955 -130.989 41.0438 -94.5193 -214.125 12.3882 -8.62598 -79.8396 -433.939 PRESSAVG: 2565800 32.7076 -55.7031 -40.2096 -55.7031 10.9944 38.9344 -40.2096 38.9345 8.1422 GPRESSAVG: 2565800 32.4664 -54.2413 -41.1723 -59.8465 10.702 39.2431 -38.3694 38.5057 8.99788 TIMING: 2565800 CPU: 8183.75, 0.00315428/step Wall: 8183.75, 0.00315428/step, 2.13282 hours remaining, 234.007812 MB of memory in use. ENERGY: 2565800 3947.0916 20663.2129 14554.4228 237.7671 -203124.2713 2205.2464 0.0000 0.0000 51778.8429 -109737.6876 297.5737 -161516.5305 -109389.0528 298.8838 -206.8945 -172.3694 760979.8906 17.2814 17.3888 PRESSURE: 2566000 -122.937 67.5064 -179.58 67.5065 -321.619 -42.48 -179.58 -42.4803 -281.942 GPRESSURE: 2566000 -120.163 69.466 -110.318 26.1756 -204.254 -34.0586 -167.241 -17.5715 -318.292 PRESSAVG: 2566000 22.6295 1.28846 -27.4637 1.28844 -9.21376 -0.313455 -27.4637 -0.313391 2.82158 GPRESSAVG: 2566000 24.1127 3.31313 -25.5401 3.2945 -9.11366 -1.1137 -29.9441 1.44118 1.30858 TIMING: 2566000 CPU: 8184.38, 0.00315599/step Wall: 8184.38, 0.00315599/step, 2.1338 hours remaining, 234.007812 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: 2566000 4002.6950 20415.2846 14543.4726 234.6296 -203076.7966 2273.3913 0.0000 0.0000 51974.1194 -109633.2041 298.6960 -161607.3235 -109265.4635 298.7592 -242.1663 -214.2362 760756.1484 5.4124 5.4359 PRESSURE: 2566200 167.205 -48.512 183.797 -48.512 -263.381 -22.5278 183.797 -22.5269 220.236 GPRESSURE: 2566200 162.768 -175.721 126.898 -4.13469 -176.242 -45.5036 210.091 -127.625 238.507 PRESSAVG: 2566200 -43.432 36.6844 -6.02168 36.6844 45.0319 48.7896 -6.02163 48.7895 -4.78517 GPRESSAVG: 2566200 -44.1527 34.3699 -7.15043 39.265 45.4306 48.2991 -3.09452 48.1731 -4.18665 TIMING: 2566200 CPU: 8185.01, 0.00315521/step Wall: 8185.01, 0.00315521/step, 2.1331 hours remaining, 234.007812 MB of memory in use. ENERGY: 2566200 3921.5209 20495.1884 14548.2684 243.2840 -203604.7129 2708.8333 0.0000 0.0000 51952.2272 -109735.3907 298.5702 -161687.6179 -109379.5661 298.4203 41.3535 75.0110 761281.3519 -1.0617 -0.9696 PRESSURE: 2566400 -107.25 147.549 109.19 147.55 22.2302 57.7356 109.19 57.7357 -320.385 GPRESSURE: 2566400 -79.3513 182.072 108.37 174.755 55.424 97.7693 138.963 31.7192 -297.834 PRESSAVG: 2566400 1.8312 0.625523 12.0741 0.625559 13.4539 25.9242 12.0741 25.9242 -22.0877 GPRESSAVG: 2566400 1.30996 2.74929 12.3136 -1.62675 13.6794 27.6291 10.8561 27.5117 -21.8156 TIMING: 2566400 CPU: 8185.65, 0.00315482/step Wall: 8185.65, 0.00315482/step, 2.13266 hours remaining, 234.007812 MB of memory in use. ENERGY: 2566400 3966.1243 20398.4031 14514.1936 258.0668 -203142.7392 2421.8111 0.0000 0.0000 51998.2472 -109585.8933 298.8346 -161584.1404 -109213.8720 298.7982 -135.1349 -107.2537 762303.7368 -2.2675 -2.2754 PRESSURE: 2566600 -21.9352 -266.531 25.158 -266.531 -5.03495 -19.7565 25.158 -19.7566 -239.02 GPRESSURE: 2566600 38.1897 -253.433 -60.441 -193.302 0.687257 102.066 -65.9224 4.0347 -215.144 PRESSAVG: 2566600 11.0338 -4.02411 74.4195 -4.02415 -6.43131 -4.02774 74.4195 -4.02772 4.19204 GPRESSAVG: 2566600 11.2308 -4.59806 74.247 -3.45013 -6.48404 -3.9212 74.1458 -7.05515 3.6086 TIMING: 2566600 CPU: 8186.27, 0.00314038/step Wall: 8186.27, 0.00314038/step, 2.12272 hours remaining, 234.007812 MB of memory in use. ENERGY: 2566600 4001.3122 20588.5437 14567.7295 238.4335 -203344.7184 2557.7868 0.0000 0.0000 51821.7919 -109569.1208 297.8206 -161390.9128 -109211.8644 298.3263 -88.6635 -58.7555 761250.8977 2.9315 2.7851 PRESSURE: 2566800 199.589 171.266 87.2438 171.266 102.126 28.3939 87.2439 28.3938 -164.397 GPRESSURE: 2566800 199.883 111.814 82.0586 94.3048 154.025 63.226 87.8546 37.2003 -127.157 PRESSAVG: 2566800 17.9735 -54.6952 -34.1864 -54.6953 -15.7133 34.6307 -34.1864 34.6307 23.9637 GPRESSAVG: 2566800 18.2016 -56.2606 -33.2067 -54.919 -15.7873 34.7841 -35.2269 36.1726 24.1842 TIMING: 2566800 CPU: 8186.91, 0.00316343/step Wall: 8186.91, 0.00316343/step, 2.13813 hours remaining, 234.007812 MB of memory in use. ENERGY: 2566800 3949.8949 20538.2164 14535.5172 232.4760 -203475.4644 2497.8026 0.0000 0.0000 52078.1644 -109643.3929 299.2939 -161721.5573 -109271.6047 298.8702 45.7725 75.5836 761862.7193 8.7413 8.8662 PRESSURE: 2567000 203.789 -233.33 -110.61 -233.331 97.2594 184.826 -110.61 184.826 231.403 GPRESSURE: 2567000 178.274 -136.07 -76.3772 -225.102 203.361 229.122 -115.767 176.654 231.308 PRESSAVG: 2567000 31.6534 -32.8515 -4.50495 -32.8515 -44.7783 103.133 -4.50491 103.133 -0.916572 GPRESSAVG: 2567000 31.9481 -31.9408 -3.85103 -33.3517 -44.418 103.932 -4.3927 103.044 -1.28409 TIMING: 2567000 CPU: 8187.54, 0.00315117/step Wall: 8187.54, 0.00315117/step, 2.12967 hours remaining, 234.007812 MB of memory in use. ENERGY: 2567000 3998.4224 20599.4864 14548.9915 248.4634 -203730.4717 2645.6876 0.0000 0.0000 52029.4625 -109659.9581 299.0140 -161689.4206 -109297.7698 299.0251 177.4838 204.3144 759269.7132 -4.6805 -4.5847 PRESSURE: 2567200 416.83 -88.4774 3.91724 -88.4766 286.513 325.877 3.91639 325.878 151.167 GPRESSURE: 2567200 492.147 -157.865 43.2892 -127.416 348.601 333.664 -138.975 257.273 95.0012 PRESSAVG: 2567200 7.1519 -95.6371 1.09348 -95.6371 -59.9496 101.301 1.0934 101.301 25.2238 GPRESSAVG: 2567200 6.57126 -96.388 -2.2961 -94.7481 -59.8913 100.306 1.69404 102.045 26.2594 TIMING: 2567200 CPU: 8188.17, 0.00316832/step Wall: 8188.17, 0.00316832/step, 2.14108 hours remaining, 234.007812 MB of memory in use. ENERGY: 2567200 3966.0477 20478.5833 14515.1475 271.5050 -203407.9514 2641.7289 0.0000 0.0000 52018.1840 -109516.7550 298.9492 -161534.9390 -109161.6224 299.0890 284.8367 311.9164 761068.7705 -9.1913 -9.0202 PRESSURE: 2567400 -42.9408 -275.776 249.171 -275.775 -42.7169 73.4027 249.17 73.4017 80.8064 GPRESSURE: 2567400 -16.811 -175.631 215.662 -275.892 19.5019 34.5439 228.086 74.9231 78.9696 PRESSAVG: 2567400 29.0899 -66.4944 -58.5038 -66.4944 -27.8308 21.3815 -58.5037 21.3815 1.23355 GPRESSAVG: 2567400 29.3541 -65.2642 -57.8468 -66.8292 -29.3647 20.8731 -57.5264 19.6038 1.42952 TIMING: 2567400 CPU: 8188.8, 0.003151/step Wall: 8188.8, 0.003151/step, 2.1292 hours remaining, 234.007812 MB of memory in use. ENERGY: 2567400 4055.9953 20358.8307 14553.4516 247.2157 -203568.2016 2714.3498 0.0000 0.0000 52174.8955 -109463.4630 299.8498 -161638.3585 -109084.6642 298.9964 -1.6171 27.2202 761151.8405 0.8309 0.4730 PRESSURE: 2567600 71.2219 -58.2613 113.555 -58.2611 170.728 166.808 113.555 166.808 -85.2461 GPRESSURE: 2567600 130.512 -115.473 162.228 -78.5119 157.366 222.71 15.7419 71.0688 -21.3061 PRESSAVG: 2567600 12.9583 -47.7998 -45.6562 -47.7999 3.18703 -6.07151 -45.6562 -6.07152 -4.68698 GPRESSAVG: 2567600 12.0079 -49.6147 -45.0098 -44.8995 4.85117 -5.26018 -45.0122 -3.254 -6.29609 TIMING: 2567600 CPU: 8189.43, 0.00314318/step Wall: 8189.43, 0.00314318/step, 2.12374 hours remaining, 234.007812 MB of memory in use. ENERGY: 2567600 4109.6338 20520.2526 14545.9720 248.7094 -203747.7733 2574.3208 0.0000 0.0000 52369.3344 -109379.5503 300.9673 -161748.8848 -109020.5273 299.5776 52.2346 88.8574 760483.3274 3.8194 3.5210 PRESSURE: 2567800 230.618 -48.935 -97.4766 -48.9351 -33.1516 215.037 -97.4772 215.036 81.8958 GPRESSURE: 2567800 249.293 -154.243 -30.9359 -32.0826 29.233 187.7 -107.049 226.619 79.3554 PRESSAVG: 2567800 -21.213 -61.8842 1.66918 -61.8842 15.841 -14.636 1.66922 -14.636 -25.5225 GPRESSAVG: 2567800 -21.1427 -61.8783 2.87787 -63.5029 15.6453 -14.3723 -0.342391 -16.8849 -25.3258 TIMING: 2567800 CPU: 8190.06, 0.00314766/step Wall: 8190.06, 0.00314766/step, 2.12659 hours remaining, 234.007812 MB of memory in use. ENERGY: 2567800 4005.8979 20629.8099 14626.3570 257.4965 -203686.8497 2703.2757 0.0000 0.0000 52086.9135 -109377.0991 299.3442 -161464.0126 -109016.4051 299.9721 93.1206 119.2936 759558.6616 -10.2982 -10.2744 PRESSURE: 2568000 37.8541 -57.3764 35.6523 -57.3763 418.132 34.3927 35.6528 34.3921 -154.967 GPRESSURE: 2568000 -3.55097 6.21628 9.69604 26.9643 411.198 11.992 -64.0258 -13.7871 -19.6995 PRESSAVG: 2568000 0.611298 -48.0097 -12.4291 -48.0097 -13.9027 24.0339 -12.4291 24.0339 7.71415 GPRESSAVG: 2568000 0.826854 -45.5847 -11.7841 -49.498 -14.0435 22.8058 -13.468 25.336 7.14586 TIMING: 2568000 CPU: 8190.69, 0.00316155/step Wall: 8190.69, 0.00316154/step, 2.1358 hours remaining, 234.007812 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: 2568000 4029.2254 20562.3046 14535.5921 249.7650 -203508.8199 2568.0305 0.0000 0.0000 52074.4178 -109489.4845 299.2724 -161563.9023 -109124.6285 299.4935 100.3398 129.3160 761929.7332 -1.8591 -2.0236 PRESSURE: 2568200 -137.104 21.3845 172.69 21.3845 -167.815 304.122 172.689 304.121 -263.384 GPRESSURE: 2568200 -102.63 60.6738 162.356 16.1556 -159.2 289.303 181.271 71.7813 -210.792 PRESSAVG: 2568200 1.91637 -15.0685 -54.3046 -15.0684 -41.7814 -5.47819 -54.3046 -5.47825 -20.624 GPRESSAVG: 2568200 2.55263 -16.7608 -56.1083 -15.1928 -43.2652 -4.99941 -54.0247 -6.49556 -20.0756 TIMING: 2568200 CPU: 8191.33, 0.00317709/step Wall: 8191.33, 0.00317709/step, 2.14612 hours remaining, 234.007812 MB of memory in use. ENERGY: 2568200 4027.3132 20402.8879 14564.0757 262.5519 -203664.1926 2738.0993 0.0000 0.0000 52139.9548 -109529.3097 299.6490 -161669.2645 -109160.8346 299.3648 -189.4346 -157.5408 762184.3502 -20.1630 -20.2627 LDB: ============= START OF LOAD BALANCING ============== 8203.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8203.75 LDB: =============== DONE WITH MIGRATION ================ 8203.75 LDB: ============= START OF LOAD BALANCING ============== 8204.07 LDB: Largest compute 7031 load 0.036590 is 18.7% of average load 0.195402 LDB: Average compute 0.004402 is 2.3% of average load 0.195402 LDB: TIME 8204.07 LOAD: AVG 0.195402 MAX 0.216144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.105 MB LDB: TIME 8204.07 LOAD: AVG 0.195402 MAX 0.216144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: TIME 8204.07 LOAD: AVG 0.195402 MAX 0.216144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: ============== END OF LOAD BALANCING =============== 8204.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8204.08 PRESSURE: 2568400 261.933 -50.103 176.747 -50.1032 -72.1557 97.9313 176.747 97.9307 -69.0859 GPRESSURE: 2568400 292.455 29.8344 162.046 67.8566 10.1374 82.7524 237.816 97.0202 -98.9071 PRESSAVG: 2568400 31.5009 -26.8839 -7.74918 -26.8839 -19.3014 41.6339 -7.74921 41.634 -12.0859 GPRESSAVG: 2568400 29.5267 -27.4815 -5.51876 -25.101 -17.3528 41.1252 -5.8592 41.7961 -11.9398 TIMING: 2568400 CPU: 8191.97, 0.003225/step Wall: 8191.97, 0.003225/step, 2.1783 hours remaining, 236.316406 MB of memory in use. ENERGY: 2568400 4018.6597 20630.1288 14493.0336 249.2418 -203877.9345 2901.9034 0.0000 0.0000 52211.4715 -109373.4958 300.0600 -161584.9673 -109006.6132 299.0233 40.2305 67.8951 760404.6963 0.0379 0.0780 PRESSURE: 2568600 74.6486 -11.3756 -115.931 -11.3757 -84.9373 -50.4061 -115.93 -50.4062 306.997 GPRESSURE: 2568600 107.476 37.6995 -124.023 -98.1517 -45.3057 -32.7293 -89.0891 -80.2292 313.266 PRESSAVG: 2568600 29.1756 -12.1277 -56.5557 -12.1277 -25.1241 33.5149 -56.5557 33.515 10.52 GPRESSAVG: 2568600 30.5683 -12.9485 -58.5096 -13.1593 -25.3155 34.3537 -56.2503 33.0892 9.35965 TIMING: 2568600 CPU: 8192.6, 0.00314611/step Wall: 8192.6, 0.00314611/step, 2.12485 hours remaining, 236.515625 MB of memory in use. ENERGY: 2568600 4010.4780 20638.3238 14598.2961 249.8062 -203735.9472 2688.6606 0.0000 0.0000 52036.7719 -109513.6105 299.0560 -161550.3824 -109146.0454 299.7312 98.9028 125.1454 761003.3680 4.8572 4.8708 PRESSURE: 2568800 17.6809 39.8717 -338.605 39.8715 -66.3955 174.652 -338.604 174.652 -35.6998 GPRESSURE: 2568800 13.4933 -29.6861 -284.677 -33.7609 -50.7954 172.548 -346.394 290.464 36.7684 PRESSAVG: 2568800 -4.15717 -33.5303 -14.3644 -33.5303 -25.4646 79.241 -14.3644 79.2411 -22.4814 GPRESSAVG: 2568800 -4.89798 -31.0872 -13.1623 -32.5741 -25.045 78.7654 -15.9645 81.3018 -22.2085 TIMING: 2568800 CPU: 8193.23, 0.00314092/step Wall: 8193.23, 0.00314092/step, 2.12117 hours remaining, 236.515625 MB of memory in use. ENERGY: 2568800 3968.2907 20478.6657 14508.4495 240.5097 -203296.2746 2496.5828 0.0000 0.0000 52020.3261 -109583.4501 298.9615 -161603.7762 -109212.5459 298.7472 -28.1381 -0.1779 760335.8165 -17.3677 -17.3838 PRESSURE: 2569000 402.837 -53.0631 25.3963 -53.063 158.512 -55.5274 25.3958 -55.5275 231.448 GPRESSURE: 2569000 363.821 -91.4119 -13.6374 -166.49 243.314 -80.059 -32.575 -33.1228 279.518 PRESSAVG: 2569000 59.5908 -90.5667 -36.0563 -90.5666 -73.1727 26.2378 -36.0563 26.2378 10.6799 GPRESSAVG: 2569000 59.5442 -92.1983 -36.3422 -91.2788 -73.9659 25.6389 -34.9869 26.63 11.9196 TIMING: 2569000 CPU: 8193.86, 0.00313403/step Wall: 8193.86, 0.00313402/step, 2.11634 hours remaining, 236.515625 MB of memory in use. ENERGY: 2569000 3971.5416 20376.0664 14577.9806 273.7170 -203657.3814 2715.9076 0.0000 0.0000 52114.0963 -109628.0720 299.5004 -161742.1683 -109258.5812 299.0080 264.2655 295.5509 760564.5573 -0.9673 -0.8340 PRESSURE: 2569200 -13.4329 36.3978 110.7 36.3983 198.548 48.4743 110.699 48.4748 -521.201 GPRESSURE: 2569200 -15.397 -59.9922 150.602 28.4429 272.87 26.6879 188.109 91.3696 -509.469 PRESSAVG: 2569200 -27.1335 -19.9483 18.9059 -19.9484 20.4727 -32.1145 18.9058 -32.1145 -13.2877 GPRESSAVG: 2569200 -25.7314 -19.327 18.3883 -19.7568 21.5385 -29.8157 20.3707 -32.5939 -15.8225 TIMING: 2569200 CPU: 8194.48, 0.00313336/step Wall: 8194.48, 0.00313336/step, 2.11571 hours remaining, 236.515625 MB of memory in use. ENERGY: 2569200 4001.4309 20412.7604 14494.4866 250.9448 -203431.7247 2473.0399 0.0000 0.0000 52021.3696 -109777.6924 298.9675 -161799.0620 -109413.4976 298.7600 -112.0284 -83.9986 761821.9178 -6.6495 -6.6718 PRESSURE: 2569400 20.1273 -17.6075 310.918 -17.6084 -128.491 -16.1877 310.918 -16.1867 127.685 GPRESSURE: 2569400 112.404 87.4606 233.18 -103.279 -119.354 -35.6179 441.867 -9.84004 112.221 PRESSAVG: 2569400 4.36865 -68.7499 3.62918 -68.75 -12.625 4.33342 3.62913 4.33353 -2.35454 GPRESSAVG: 2569400 4.28769 -70.3415 3.35264 -68.2305 -12.8623 4.28882 3.01073 2.67115 -1.92965 TIMING: 2569400 CPU: 8195.11, 0.00314883/step Wall: 8195.11, 0.00314883/step, 2.12598 hours remaining, 236.515625 MB of memory in use. ENERGY: 2569400 4021.1538 20626.8246 14505.8755 233.2528 -203797.8243 2587.2743 0.0000 0.0000 51922.5996 -109900.8437 298.3999 -161823.4433 -109545.7004 298.9112 6.4403 35.0903 759241.1924 -3.5370 -3.5014 PRESSURE: 2569600 -181.505 58.7364 64.5803 58.7356 -264.656 -36.395 64.581 -36.3958 14.2335 GPRESSURE: 2569600 -107.191 123.418 25.2523 18.0516 -286.988 30.9791 -75.7871 -14.2364 43.0079 PRESSAVG: 2569600 14.2971 -17.2382 -10.1486 -17.2382 -66.1841 -31.3113 -10.1486 -31.3113 17.426 GPRESSAVG: 2569600 14.0241 -17.381 -11.0038 -15.5788 -66.28 -32.2347 -10.464 -30.8067 17.8521 TIMING: 2569600 CPU: 8195.74, 0.00314344/step Wall: 8195.74, 0.00314344/step, 2.12217 hours remaining, 236.515625 MB of memory in use. ENERGY: 2569600 4066.5169 20481.8976 14563.2797 257.0072 -203626.7146 2358.1096 0.0000 0.0000 51913.5444 -109986.3592 298.3479 -161899.9036 -109621.7893 298.7497 -143.9759 -117.0572 759894.9504 -11.4870 -11.4679 PRESSURE: 2569800 -81.32 -139.186 -145.804 -139.186 -219.032 28.312 -145.804 28.3116 120.13 GPRESSURE: 2569800 -111.93 -87.937 -116.523 -201.442 -99.8075 17.4871 -151.014 64.8565 117.988 PRESSAVG: 2569800 12.7137 -25.2137 -19.5495 -25.2137 11.6428 -21.2351 -19.5495 -21.2352 -17.7124 GPRESSAVG: 2569800 10.9216 -24.077 -17.6273 -25.7862 11.6745 -20.0642 -20.7384 -22.7192 -15.9997 TIMING: 2569800 CPU: 8196.37, 0.00313634/step Wall: 8196.37, 0.00313634/step, 2.1172 hours remaining, 236.515625 MB of memory in use. ENERGY: 2569800 3964.6838 20420.0209 14597.3170 253.3638 -203601.6014 2422.6350 0.0000 0.0000 52080.1525 -109863.4286 299.3054 -161943.5811 -109496.3973 298.4304 -60.0740 -31.2499 758070.8045 2.2147 2.1988 PRESSURE: 2570000 -72.9346 -112.595 61.2211 -112.595 -96.4982 -134.599 61.2211 -134.598 160.141 GPRESSURE: 2570000 25.0943 -79.9295 50.8283 -146.925 -53.4196 -195.223 132.077 -177.013 111.724 PRESSAVG: 2570000 -20.936 6.58698 12.7316 6.58699 32.1978 -14.3922 12.7317 -14.3922 -5.03218 GPRESSAVG: 2570000 -19.5649 6.87176 11.5615 4.59107 32.1476 -15.6121 14.9643 -11.7718 -6.8996 TIMING: 2570000 CPU: 8197, 0.00314028/step Wall: 8197, 0.00314028/step, 2.11969 hours remaining, 236.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2570000 4007.0496 20322.0555 14582.1849 241.5023 -203493.7992 2395.1866 0.0000 0.0000 52130.5344 -109815.2859 299.5949 -161945.8203 -109442.7521 297.9799 -3.0971 27.7994 760486.4947 2.0765 1.8944 PRESSURE: 2570200 -472.671 -155.349 283.282 -155.349 104.778 -7.24974 283.283 -7.25033 -370.176 GPRESSURE: 2570200 -325.411 -164.383 212.477 -74.3595 132.437 -3.06895 228.843 -5.61296 -430.536 PRESSAVG: 2570200 0.134233 -17.1692 -1.0432 -17.1692 -0.927096 -49.1838 -1.04328 -49.1838 -0.490331 GPRESSAVG: 2570200 0.300202 -17.863 -0.538212 -16.4554 -1.55481 -49.999 -2.62153 -51.7829 0.169433 TIMING: 2570200 CPU: 8197.62, 0.00314107/step Wall: 8197.62, 0.00314107/step, 2.12005 hours remaining, 236.515625 MB of memory in use. ENERGY: 2570200 4037.2031 20437.8793 14517.0861 244.9144 -203053.3560 2180.0139 0.0000 0.0000 52147.3036 -109488.9557 299.6913 -161636.2593 -109124.6306 299.1466 -246.0232 -207.8366 760032.2853 -0.4277 -0.3617 PRESSURE: 2570400 -54.1547 -27.932 -66.4951 -27.9316 237.467 112.976 -66.4949 112.975 -78.0078 GPRESSURE: 2570400 2.14293 -42.79 -82.9762 72.6744 246.636 222.303 67.3782 -43.3815 -43.9515 PRESSAVG: 2570400 17.682 -24.7451 -3.77516 -24.7451 -1.98151 -52.3152 -3.77517 -52.3153 18.6939 GPRESSAVG: 2570400 18.8101 -24.9712 -4.06728 -23.8294 -2.4709 -52.1199 -2.07877 -50.4475 17.8285 TIMING: 2570400 CPU: 8198.25, 0.00314954/step Wall: 8198.25, 0.00314954/step, 2.12559 hours remaining, 236.515625 MB of memory in use. ENERGY: 2570400 3973.2283 20553.2689 14500.0631 235.8601 -203539.1305 2560.7222 0.0000 0.0000 52345.0778 -109370.9102 300.8279 -161715.9880 -109000.0580 300.1204 35.1015 68.2759 759135.9654 11.4648 11.3892 PRESSURE: 2570600 90.4593 30.8743 -178.659 30.8744 6.41861 64.4141 -178.659 64.4147 -14.5211 GPRESSURE: 2570600 77.4744 59.5161 -177.507 75.4271 84.024 27.9981 -34.2662 118.957 3.19683 PRESSAVG: 2570600 8.76942 -37.025 -32.2184 -37.025 22.9317 28.8599 -32.2184 28.8598 18.7191 GPRESSAVG: 2570600 6.47633 -36.3284 -32.7864 -37.6166 24.7792 28.5361 -31.9742 26.663 18.9824 TIMING: 2570600 CPU: 8198.88, 0.00314429/step Wall: 8198.88, 0.00314429/step, 2.12187 hours remaining, 236.515625 MB of memory in use. ENERGY: 2570600 3917.6599 20519.3737 14573.6571 222.0160 -203277.0234 2450.6931 0.0000 0.0000 52272.2318 -109321.3918 300.4092 -161593.6236 -108948.8850 300.1375 27.4523 54.8984 758895.7615 16.8067 16.7460 PRESSURE: 2570800 -393.825 70.6967 -11.4012 70.6967 50.0939 69.9202 -11.4013 69.9208 -32.8959 GPRESSURE: 2570800 -170.642 116.028 -64.4685 29.2981 -63.3248 50.5176 -98.8196 60.8649 -78.0976 PRESSAVG: 2570800 -54.9734 -9.92285 -30.4224 -9.92289 43.3554 3.97852 -30.4224 3.97847 -2.74952 GPRESSAVG: 2570800 -53.8559 -9.12928 -30.1399 -10.1134 41.3432 3.43608 -31.3166 6.30862 -2.04717 TIMING: 2570800 CPU: 8199.51, 0.00315618/step Wall: 8199.51, 0.00315618/step, 2.12972 hours remaining, 236.515625 MB of memory in use. ENERGY: 2570800 3967.0661 20606.6937 14509.4719 248.0208 -203118.4082 2191.7570 0.0000 0.0000 52213.7219 -109381.6769 300.0730 -161595.3987 -109017.8275 300.0445 -125.5422 -104.0213 759252.0517 -4.7892 -4.8533 PRESSURE: 2571000 354.337 82.537 -11.8582 82.5373 120.931 -36.376 -11.8578 -36.3763 600.371 GPRESSURE: 2571000 369.278 -129.855 -49.6687 107.193 176.292 -21.7497 26.4718 -119.651 620.652 PRESSAVG: 2571000 48.7907 -19.5866 -79.6498 -19.5866 -36.4488 39.0936 -79.6498 39.0936 -17.7229 GPRESSAVG: 2571000 48.047 -19.3329 -78.3253 -20.3401 -35.4807 40.0837 -81.7993 37.7075 -18.5515 TIMING: 2571000 CPU: 8200.15, 0.00317718/step Wall: 8200.15, 0.00317718/step, 2.14371 hours remaining, 236.515625 MB of memory in use. ENERGY: 2571000 3974.5008 20417.9229 14586.6666 263.8800 -203571.2847 2656.4204 0.0000 0.0000 52096.6643 -109575.2295 299.4002 -161671.8939 -109199.4580 299.2991 358.5462 388.7405 758140.2079 -1.7937 -1.9951 PRESSURE: 2571200 -109.791 -141.905 -94.9944 -141.907 -299.056 94.9134 -94.9939 94.9136 -192.804 GPRESSURE: 2571200 -62.01 -195.144 -83.0279 -187.819 -248.215 93.0276 -58.3393 129.562 -201.339 PRESSAVG: 2571200 85.4503 -60.55 -19.8703 -60.55 -47.3588 39.9826 -19.8703 39.9827 4.22316 GPRESSAVG: 2571200 86.0804 -61.7252 -20.9452 -60.3173 -47.4193 40.8345 -17.808 41.2654 4.0543 TIMING: 2571200 CPU: 8200.78, 0.00317219/step Wall: 8200.78, 0.00317219/step, 2.14017 hours remaining, 236.585938 MB of memory in use. ENERGY: 2571200 4030.0503 20592.0328 14506.2793 258.8112 -203198.6938 2194.7512 0.0000 0.0000 52098.8751 -109517.8938 299.4130 -161616.7689 -109158.7924 299.3881 -200.5503 -170.5213 759497.2106 14.1049 14.2384 PRESSURE: 2571400 247.51 -35.6023 -180.834 -35.6027 -253.7 12.5623 -180.835 12.5624 136.559 GPRESSURE: 2571400 221.666 -158.355 -128.571 83.3126 -170.955 -16.0378 -175.034 -52.6825 167.964 PRESSAVG: 2571400 57.8995 13.4158 0.6101 13.4158 -29.6998 17.2931 0.610122 17.2931 -11.6476 GPRESSAVG: 2571400 56.799 14.5205 -0.615364 15.0493 -30.4892 16.9886 -0.797922 16.6814 -10.0496 TIMING: 2571400 CPU: 8201.42, 0.00316359/step Wall: 8201.42, 0.00316359/step, 2.13419 hours remaining, 236.585938 MB of memory in use. ENERGY: 2571400 4001.9338 20548.4052 14521.7372 263.3548 -203750.3634 2590.2430 0.0000 0.0000 52212.0140 -109612.6754 300.0632 -161824.6894 -109249.6188 299.6720 43.4562 72.8918 759644.0146 5.5174 5.4201 PRESSURE: 2571600 162.609 31.7509 -48.3546 31.7512 -249.741 51.6208 -48.3542 51.6199 -283.673 GPRESSURE: 2571600 197.494 -76.5707 13.6594 54.7714 -228.912 81.9592 -16.7119 41.3782 -267.064 PRESSAVG: 2571600 27.8381 10.3875 20.4103 10.3875 26.479 -52.5887 20.4102 -52.5886 -15.3231 GPRESSAVG: 2571600 27.1414 9.3656 21.1719 9.15759 26.8595 -54.0225 20.2909 -51.459 -15.4445 TIMING: 2571600 CPU: 8202.05, 0.00317418/step Wall: 8202.05, 0.00317418/step, 2.14116 hours remaining, 236.585938 MB of memory in use. ENERGY: 2571600 4003.5241 20552.6180 14580.0866 248.1949 -203412.3757 2419.0812 0.0000 0.0000 52011.8722 -109596.9987 298.9129 -161608.8710 -109232.0934 299.4357 -123.6018 -99.4939 759418.3481 12.9980 12.8522 PRESSURE: 2571800 -173.457 -176.852 115.066 -176.852 -197.144 -46.084 115.066 -46.0843 408.713 GPRESSURE: 2571800 -65.8825 -97.6079 87.6946 -150.29 -210.814 -34.7987 78.842 -110.772 401.755 PRESSAVG: 2571800 18.0944 26.6295 72.6723 26.6294 -19.8439 37.2452 72.6723 37.2452 17.0616 GPRESSAVG: 2571800 18.854 26.7987 74.0502 26.3725 -20.2721 37.7317 73.9832 35.7473 16.5612 TIMING: 2571800 CPU: 8202.68, 0.00315213/step Wall: 8202.68, 0.00315213/step, 2.12611 hours remaining, 236.585938 MB of memory in use. ENERGY: 2571800 4042.4755 20599.0072 14506.9454 256.6766 -203492.1062 2289.4559 0.0000 0.0000 52153.1161 -109644.4294 299.7247 -161797.5455 -109274.5036 299.1540 12.7038 41.6862 759084.0941 5.1040 5.0477 PRESSURE: 2572000 -152.711 88.593 -70.021 88.5924 -180.544 246.366 -70.0214 246.366 100.717 GPRESSURE: 2572000 -145.613 45.4986 -102.318 135.494 -142.839 208.124 -160.415 287.62 120.223 PRESSAVG: 2572000 -52.9342 38.5238 33.4222 38.5238 62.0512 30.7147 33.4222 30.7146 -8.42807 GPRESSAVG: 2572000 -52.5953 38.2224 33.1526 41.3004 62.158 31.5839 33.4983 30.8863 -9.5154 TIMING: 2572000 CPU: 8203.31, 0.0031481/step Wall: 8203.31, 0.0031481/step, 2.12322 hours remaining, 236.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2572000 3948.0183 20540.0563 14532.8655 232.6546 -202720.7744 1919.2074 0.0000 0.0000 51878.7777 -109669.1946 298.1480 -161547.9724 -109296.9426 299.3907 -77.5129 -56.0763 761201.0353 0.2296 0.0158 PRESSURE: 2572200 63.6907 -60.3409 -13.0862 -60.3419 117.917 177.12 -13.086 177.121 129.431 GPRESSURE: 2572200 131.092 40.3047 16.096 6.90792 136.893 116.259 -190.696 258.761 132.386 PRESSAVG: 2572200 1.13869 -33.1781 -24.5451 -33.178 -2.2179 52.2345 -24.5451 52.2346 17.1435 GPRESSAVG: 2572200 0.749914 -34.0406 -24.5445 -34.2707 -2.38275 50.5662 -26.9048 52.7222 17.7338 TIMING: 2572200 CPU: 8203.94, 0.00316274/step Wall: 8203.94, 0.00316274/step, 2.13292 hours remaining, 236.585938 MB of memory in use. ENERGY: 2572200 3986.8953 20441.0111 14555.3383 256.0873 -203902.1394 2749.0718 0.0000 0.0000 52078.7547 -109834.9809 299.2973 -161913.7356 -109475.0911 298.7476 103.6795 133.4570 760458.5844 5.3548 5.3670 LDB: ============= START OF LOAD BALANCING ============== 8216.37 LDB: ============== END OF LOAD BALANCING =============== 8216.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8216.37 LDB: ============= START OF LOAD BALANCING ============== 8216.69 LDB: Largest compute 7031 load 0.034137 is 17.5% of average load 0.195478 LDB: Average compute 0.004403 is 2.3% of average load 0.195478 LDB: TIME 8216.69 LOAD: AVG 0.195478 MAX 0.215746 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.109 MB LDB: TIME 8216.69 LOAD: AVG 0.195478 MAX 0.215746 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: TIME 8216.69 LOAD: AVG 0.195478 MAX 0.215746 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: ============== END OF LOAD BALANCING =============== 8216.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8216.7 PRESSURE: 2572400 15.9644 150.754 -234.66 150.754 -350.115 1.02971 -234.66 1.0286 -261.619 GPRESSURE: 2572400 25.4301 79.11 -157.541 162.124 -331.079 32.9697 -229.553 112.596 -193.637 PRESSAVG: 2572400 -21.8477 0.279785 18.0165 0.27983 5.5597 44.2508 18.0165 44.2508 -8.59323 GPRESSAVG: 2572400 -22.2419 1.29829 18.4016 1.60173 6.26943 44.3206 21.8704 45.5762 -8.35581 TIMING: 2572400 CPU: 8204.59, 0.00323741/step Wall: 8204.59, 0.00323741/step, 2.1831 hours remaining, 232.593750 MB of memory in use. ENERGY: 2572400 3905.1425 20499.7308 14578.6499 236.1113 -203790.7844 2581.9792 0.0000 0.0000 51885.9496 -110103.2211 298.1893 -161989.1707 -109740.3896 298.4354 -198.5899 -166.4287 760924.8104 -8.2937 -8.1094 PRESSURE: 2572600 -147.493 -196.27 -234.031 -196.27 -50.0417 19.9517 -234.03 19.9517 132.706 GPRESSURE: 2572600 -124.91 -205.721 -216.53 -239.865 -51.725 -66.374 -184.436 -36.2922 171.44 PRESSAVG: 2572600 -21.9107 9.9796 -62.7236 9.97961 -22.3816 47.3524 -62.7236 47.3524 29.4695 GPRESSAVG: 2572600 -21.6312 9.82833 -63.4521 8.35515 -23.036 46.666 -62.9294 46.4714 30.0625 TIMING: 2572600 CPU: 8205.22, 0.00316306/step Wall: 8205.22, 0.00316306/step, 2.13278 hours remaining, 232.796875 MB of memory in use. ENERGY: 2572600 3983.9637 20425.4628 14485.3165 231.0208 -203437.8162 2369.7778 0.0000 0.0000 51812.4947 -110129.7799 297.7671 -161942.2746 -109763.5707 298.3964 -21.6095 -1.7317 760382.9282 -4.9409 -4.8682 PRESSURE: 2572800 -127.656 -49.1206 -170.184 -49.1211 -70.8307 -33.8029 -170.183 -33.803 -21.3522 GPRESSURE: 2572800 -50.8452 27.7925 -276.039 31.0576 -74.0981 16.0458 -19.4221 -84.7165 6.36136 PRESSAVG: 2572800 -31.1815 -4.24089 0.739535 -4.24089 31.9086 -19.5366 0.73958 -19.5366 -26.4195 GPRESSAVG: 2572800 -31.0953 -6.46653 -0.0681612 -3.93349 32.2831 -19.1619 1.60154 -19.0775 -27.2742 TIMING: 2572800 CPU: 8205.85, 0.00315145/step Wall: 8205.85, 0.00315145/step, 2.12478 hours remaining, 232.796875 MB of memory in use. ENERGY: 2572800 3981.2632 20560.6900 14529.8711 241.7136 -203672.4158 2514.2717 0.0000 0.0000 51768.7044 -110075.9018 297.5155 -161844.6062 -109718.4913 298.2791 -73.2797 -39.5273 760611.2338 -8.5641 -8.6955 PRESSURE: 2573000 -56.7691 -44.727 -219.235 -44.7271 -24.4703 -101.124 -219.235 -101.123 94.6549 GPRESSURE: 2573000 -48.4005 -59.0749 -227.839 27.7054 61.1455 -60.8861 -206.072 -21.6383 112.659 PRESSAVG: 2573000 -15.1328 11.4645 56.8349 11.4645 16.3113 -24.9163 56.835 -24.9164 11.7739 GPRESSAVG: 2573000 -16.5381 12.9801 57.5478 11.9476 17.7125 -25.2669 55.3145 -25.6571 11.8038 TIMING: 2573000 CPU: 8206.48, 0.00314423/step Wall: 8206.48, 0.00314423/step, 2.11974 hours remaining, 232.796875 MB of memory in use. ENERGY: 2573000 3969.8797 20541.8321 14509.4810 229.3081 -203957.1194 2680.7172 0.0000 0.0000 51938.4459 -110087.4553 298.4910 -162025.9012 -109734.5792 298.4226 4.4718 41.8013 759965.0189 4.3175 4.3261 PRESSURE: 2573200 -92.4028 -179.584 -189.529 -179.585 -161.094 -99.4659 -189.529 -99.4668 250.439 GPRESSURE: 2573200 11.3873 -299.788 -149.49 -283.752 -146.776 -157.048 -41.0392 -107.875 222.342 PRESSAVG: 2573200 -66.3743 -53.4017 -18.7189 -53.4016 15.813 -13.1468 -18.7189 -13.1468 -0.169464 GPRESSAVG: 2573200 -65.0038 -52.0827 -18.4164 -56.2781 14.3592 -12.8096 -18.8615 -11.7699 -0.317997 TIMING: 2573200 CPU: 8207.11, 0.00314611/step Wall: 8207.11, 0.0031461/step, 2.12082 hours remaining, 232.796875 MB of memory in use. ENERGY: 2573200 3986.8287 20503.0185 14552.1917 233.2332 -203911.7001 2722.6897 0.0000 0.0000 51877.9764 -110035.7618 298.1434 -161913.7382 -109669.1886 298.7177 -1.0191 28.9843 761037.4108 -16.9103 -16.9875 PRESSURE: 2573400 -339.684 84.7253 -20.2768 84.7263 -477.082 -38.7262 -20.2765 -38.7251 -379.49 GPRESSURE: 2573400 -244.269 139.396 19.3938 21.9298 -438.541 -14.2733 -7.49213 2.23371 -427.273 PRESSAVG: 2573400 15.5836 -16.9393 -11.7323 -16.9393 11.5817 45.6037 -11.7323 45.6038 35.3058 GPRESSAVG: 2573400 15.6919 -18.1083 -10.1729 -15.6645 11.5084 45.4095 -12.3169 44.5831 35.1746 TIMING: 2573400 CPU: 8207.74, 0.00315681/step Wall: 8207.74, 0.00315681/step, 2.12787 hours remaining, 232.796875 MB of memory in use. ENERGY: 2573400 4025.3759 20630.1811 14518.2348 245.1101 -202927.3585 1961.5552 0.0000 0.0000 51672.0332 -109874.8683 296.9599 -161546.9015 -109510.3189 298.5883 -398.7522 -370.0278 760551.2096 20.8237 20.7916 PRESSURE: 2573600 -78.9452 -133.078 -265.397 -133.078 -157.41 -110.787 -265.396 -110.787 172.045 GPRESSURE: 2573600 -133.449 -144.801 -213.681 -11.5877 -60.0465 -138.986 -186.94 -210.232 203.193 PRESSAVG: 2573600 33.9205 4.51139 -25.9735 4.51142 -8.99364 -46.8046 -25.9734 -46.8046 0.572085 GPRESSAVG: 2573600 32.8003 4.09325 -27.7301 5.7626 -6.87758 -47.0858 -25.1763 -48.1546 0.0542425 TIMING: 2573600 CPU: 8208.38, 0.00315822/step Wall: 8208.38, 0.00315822/step, 2.12864 hours remaining, 232.796875 MB of memory in use. ENERGY: 2573600 3945.2220 20559.4259 14527.7943 247.7459 -203775.4316 2485.1908 0.0000 0.0000 52222.5070 -109787.5458 300.1235 -162010.0527 -109428.6011 298.8937 -21.4366 3.2326 760001.4627 8.4996 8.6590 PRESSURE: 2573800 63.9792 56.8014 39.4236 56.8018 -285.347 90.9768 39.4237 90.9766 -152.743 GPRESSURE: 2573800 154.402 80.0659 36.2085 -70.6218 -246.313 100.017 14.3736 57.8596 -182.257 PRESSAVG: 2573800 42.2054 -35.0726 28.0069 -35.0726 -39.1995 34.456 28.0069 34.456 -24.3998 GPRESSAVG: 2573800 43.6472 -35.3128 28.641 -36.7827 -40.9733 35.1104 28.5369 35.7015 -23.5584 TIMING: 2573800 CPU: 8209.01, 0.00316555/step Wall: 8209.01, 0.00316554/step, 2.1334 hours remaining, 232.796875 MB of memory in use. ENERGY: 2573800 4008.1832 20341.7000 14564.2478 220.1907 -203136.0808 2217.7490 0.0000 0.0000 51974.5449 -109809.4652 298.6984 -161784.0101 -109436.5155 298.7745 -124.7034 -91.3895 761427.9287 -7.1313 -6.9615 PRESSURE: 2574000 -384.909 -0.0221941 -69.1162 -0.0223328 -303.354 -16.4176 -69.1161 -16.4167 -78.8947 GPRESSURE: 2574000 -294.003 5.19784 -41.2527 -39.0621 -306.238 -24.2449 -129.125 -29.8758 -81.7399 PRESSAVG: 2574000 32.4992 1.96874 -87.6965 1.96874 -27.8455 -24.7304 -87.6965 -24.7305 -9.0911 GPRESSAVG: 2574000 31.0643 1.1822 -88.1788 2.66553 -26.7334 -24.1389 -89.3146 -25.8839 -8.77739 TIMING: 2574000 CPU: 8209.64, 0.0031735/step Wall: 8209.64, 0.0031735/step, 2.13859 hours remaining, 232.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2574000 4008.4317 20472.7425 14564.3715 260.4937 -203341.2630 2360.0573 0.0000 0.0000 51617.6889 -110057.4773 296.6476 -161675.1662 -109699.1640 298.3394 -255.7191 -227.3269 760605.4596 -1.4791 -1.4822 PRESSURE: 2574200 108.921 -94.5209 -166.775 -94.5203 124.155 -99.2771 -166.775 -99.278 -388.595 GPRESSURE: 2574200 194.148 30.3737 -144.316 -195.368 9.12611 -119.711 -7.56186 36.3019 -266.024 PRESSAVG: 2574200 -37.3348 -2.62296 -6.03913 -2.62299 22.5023 -67.6465 -6.03913 -67.6464 -3.61277 GPRESSAVG: 2574200 -35.3361 -1.91791 -3.6179 -3.10674 20.8596 -67.5854 -6.1528 -68.0089 -3.34389 TIMING: 2574200 CPU: 8210.27, 0.00314523/step Wall: 8210.27, 0.00314523/step, 2.11936 hours remaining, 232.796875 MB of memory in use. ENERGY: 2574200 3957.6660 20537.2887 14578.5415 245.4650 -203928.2578 2560.0497 0.0000 0.0000 52028.7839 -110020.4630 299.0101 -162049.2469 -109656.3163 298.1578 -51.8394 -20.9166 758660.5784 -6.1484 -5.9401 PRESSURE: 2574400 -109.426 15.9571 130.66 15.957 -390.541 156.42 130.66 156.42 -439.178 GPRESSURE: 2574400 -91.7065 33.3136 122.777 -64.8401 -364.329 205.978 201.106 91.5452 -385.413 PRESSAVG: 2574400 -9.54461 -38.9238 -12.684 -38.9238 -0.463316 -42.7568 -12.6841 -42.7568 -17.8518 GPRESSAVG: 2574400 -11.5147 -38.2808 -14.3908 -39.0292 0.353503 -43.9665 -10.5477 -41.4694 -16.9463 TIMING: 2574400 CPU: 8210.9, 0.00314884/step Wall: 8210.9, 0.00314884/step, 2.12162 hours remaining, 232.796875 MB of memory in use. ENERGY: 2574400 3993.4781 20436.1889 14554.7958 240.0853 -203859.4214 2529.1568 0.0000 0.0000 52214.9212 -109890.7953 300.0799 -162105.7165 -109523.6474 298.2972 -313.0481 -280.4829 760719.5606 -9.2866 -9.3692 PRESSURE: 2574600 386.386 -165.471 43.621 -165.471 -86.9849 75.607 43.6214 75.6072 397.821 GPRESSURE: 2574600 351.85 -191.869 87.4395 -80.6942 -7.54463 30.8577 27.2524 75.9397 453.818 PRESSAVG: 2574600 -0.558198 -38.3697 10.9267 -38.3697 -14.8897 -62.2097 10.9267 -62.2097 -21.4742 GPRESSAVG: 2574600 -0.0641879 -38.5257 11.5423 -37.5069 -15.4109 -60.9735 9.20002 -64.0891 -21.8574 TIMING: 2574600 CPU: 8211.54, 0.00316895/step Wall: 8211.54, 0.00316895/step, 2.13499 hours remaining, 232.796875 MB of memory in use. ENERGY: 2574600 4052.8096 20500.1394 14570.1356 232.2620 -203892.8990 2737.2428 0.0000 0.0000 51963.5399 -109836.7697 298.6352 -161800.3096 -109485.7836 298.9829 232.4072 266.0411 760121.2162 -12.3074 -12.4442 PRESSURE: 2574800 -241.119 -64.8825 -20.9642 -64.8821 -290.683 -226.983 -20.9644 -226.982 -106.645 GPRESSURE: 2574800 -182.607 -32.5983 25.4267 -27.7693 -281.316 -95.7037 -48.7472 -60.0848 -73.4399 PRESSAVG: 2574800 23.7782 -36.5471 34.1979 -36.547 16.5188 -24.5832 34.1979 -24.5832 -1.95033 GPRESSAVG: 2574800 24.0245 -36.2 32.6725 -36.4006 17.0445 -24.6783 36.0264 -23.6729 -2.96266 TIMING: 2574800 CPU: 8212.17, 0.00315398/step Wall: 8212.17, 0.00315398/step, 2.12473 hours remaining, 232.796875 MB of memory in use. ENERGY: 2574800 4027.5542 20554.1049 14517.3819 257.1523 -203323.4933 2266.0381 0.0000 0.0000 51807.7512 -109893.5109 297.7399 -161701.2621 -109535.1139 298.4829 -212.8158 -179.1210 760563.5262 12.7822 12.7021 PRESSURE: 2575000 387.893 -102.791 -132.152 -102.791 374.178 31.5576 -132.152 31.5586 195.926 GPRESSURE: 2575000 341.81 -116.931 -74.0858 20.3345 439.204 22.9402 -117.724 32.1732 242.167 PRESSAVG: 2575000 11.3516 -14.3501 -15.9757 -14.3501 -26.967 2.51028 -15.9757 2.51028 -25.1283 GPRESSAVG: 2575000 11.0277 -15.8023 -15.6012 -14.9445 -26.6539 1.30948 -16.2084 4.00388 -25.0672 TIMING: 2575000 CPU: 8212.79, 0.00313144/step Wall: 8212.79, 0.00313144/step, 2.10937 hours remaining, 232.796875 MB of memory in use. ENERGY: 2575000 4025.2434 20524.4893 14532.9433 249.6586 -203899.1941 2809.3203 0.0000 0.0000 51931.8529 -109825.6864 298.4531 -161757.5393 -109468.1540 297.9026 319.3324 341.0604 759142.8352 -13.5812 -13.5645 PRESSURE: 2575200 142.018 -43.4206 -70.8251 -43.4202 -341.799 172.858 -70.8245 172.857 362.798 GPRESSURE: 2575200 122.55 -31.8028 -120.728 -92.4746 -255.191 136.978 -32.908 90.0867 381.965 PRESSAVG: 2575200 25.261 -55.955 19.9817 -55.955 -41.105 74.5485 19.9817 74.5485 19.2622 GPRESSAVG: 2575200 24.6954 -54.4969 20.933 -56.0162 -40.411 75.5071 18.9157 72.9559 19.1248 TIMING: 2575200 CPU: 8213.42, 0.00315309/step Wall: 8213.42, 0.00315309/step, 2.12378 hours remaining, 232.796875 MB of memory in use. ENERGY: 2575200 3992.6922 20577.4783 14509.1031 243.2982 -203275.1686 2473.2914 0.0000 0.0000 51831.7785 -109647.5269 297.8779 -161479.3054 -109299.2417 298.7224 54.3391 83.1084 761912.7097 1.1394 1.1364 PRESSURE: 2575400 218.106 110.605 -47.4792 110.605 -157.856 -152.582 -47.4793 -152.583 -10.7866 GPRESSURE: 2575400 172.804 98.2008 -82.5111 4.3172 -81.511 -200.942 -13.3648 -25.1739 47.2395 PRESSAVG: 2575400 3.90052 -41.4419 -38.0061 -41.4419 -29.7655 6.27918 -38.0061 6.27909 -17.6184 GPRESSAVG: 2575400 3.26996 -42.6514 -38.0705 -41.3052 -30.921 4.20436 -36.0313 4.78548 -16.5942 TIMING: 2575400 CPU: 8214.05, 0.00314357/step Wall: 8214.05, 0.00314357/step, 2.11719 hours remaining, 232.796875 MB of memory in use. ENERGY: 2575400 3942.0456 20534.8315 14565.2445 248.0214 -203137.7817 2306.2171 0.0000 0.0000 51920.4106 -109621.0109 298.3873 -161541.4216 -109263.6839 298.6497 16.4879 46.1775 762620.3736 -14.4945 -14.7484 PRESSURE: 2575600 143.076 -240.2 116.635 -240.2 179.544 -78.948 116.636 -78.9476 76.6497 GPRESSURE: 2575600 216.517 -185.943 131.326 -106.611 153.934 -70.6595 119.941 -171.269 117.89 PRESSAVG: 2575600 55.3887 9.27376 11.6876 9.27376 -20.0635 -34.1391 11.6876 -34.139 30.7738 GPRESSAVG: 2575600 56.6457 10.7453 12.0161 8.39044 -19.7688 -33.5407 9.13027 -31.2885 29.3712 TIMING: 2575600 CPU: 8214.68, 0.00314296/step Wall: 8214.68, 0.00314296/step, 2.11661 hours remaining, 232.796875 MB of memory in use. ENERGY: 2575600 3955.3598 20554.3269 14444.3671 243.5359 -203640.8253 2677.5181 0.0000 0.0000 52015.9761 -109749.7415 298.9365 -161765.7175 -109389.1467 299.1742 133.0900 162.7801 760744.5484 22.0330 22.0827 PRESSURE: 2575800 270.391 111.654 18.3332 111.654 -139.001 -24.6268 18.333 -24.6268 151.059 GPRESSURE: 2575800 222.623 31.0679 28.442 43.0232 -15.0777 -23.8562 60.7371 -69.689 162.299 PRESSAVG: 2575800 10.6936 -35.4087 -32.0023 -35.4087 -15.385 -14.2467 -32.0023 -14.2467 -14.0727 GPRESSAVG: 2575800 9.91363 -35.0296 -32.8138 -35.8242 -13.8388 -13.8203 -30.2381 -17.2194 -14.2805 TIMING: 2575800 CPU: 8215.31, 0.0031614/step Wall: 8215.31, 0.0031614/step, 2.12885 hours remaining, 232.796875 MB of memory in use. ENERGY: 2575800 3995.5621 20499.3981 14509.5341 259.2904 -203602.7406 2780.0355 0.0000 0.0000 51720.7924 -109838.1280 297.2401 -161558.9204 -109477.2290 298.2487 94.1497 123.2814 760320.3152 -6.2547 -6.0686 PRESSURE: 2576000 -179.117 87.7097 -80.3889 87.7111 -96.5531 -205.691 -80.3888 -205.692 -212.185 GPRESSURE: 2576000 -105.486 86.3233 -67.663 202.071 -94.7672 -221.218 72.9491 -182.341 -183.007 PRESSAVG: 2576000 -33.8426 -34.0065 -3.23595 -34.0065 33.2142 15.7113 -3.23598 15.7112 7.26864 GPRESSAVG: 2576000 -33.9474 -35.2409 -2.99515 -31.17 32.7992 16.9866 -3.51589 15.4356 7.36292 TIMING: 2576000 CPU: 8215.94, 0.00315238/step Wall: 8215.94, 0.00315238/step, 2.1226 hours remaining, 232.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2576000 3963.8782 20403.3464 14440.9869 249.5980 -203335.5641 2328.3702 0.0000 0.0000 52044.3465 -109905.0380 299.0996 -161949.3845 -109529.0516 298.3909 -162.6184 -127.7534 761079.4195 2.2134 2.0716 PRESSURE: 2576200 -425.596 38.5592 -84.5795 38.5595 -41.8088 94.2065 -84.5804 94.2072 20.0238 GPRESSURE: 2576200 -339.387 61.9568 -83.9321 114.819 5.70864 49.6111 -128.759 91.0203 -19.9137 PRESSAVG: 2576200 29.5239 -8.523 16.0495 -8.52298 17.4419 28.9091 16.0497 28.9091 25.4772 GPRESSAVG: 2576200 30.4578 -5.68831 16.7033 -9.55824 16.9454 28.0792 14.528 29.5182 25.15 TIMING: 2576200 CPU: 8216.57, 0.00314972/step Wall: 8216.57, 0.00314973/step, 2.12064 hours remaining, 232.796875 MB of memory in use. ENERGY: 2576200 4011.1288 20345.0611 14478.4662 261.7036 -203301.6204 2347.0675 0.0000 0.0000 52010.0485 -109848.1446 298.9025 -161858.1931 -109487.0322 298.5093 -149.1269 -117.8641 759590.8086 24.1477 24.1844 LDB: ============= START OF LOAD BALANCING ============== 8229 LDB: ============== END OF LOAD BALANCING =============== 8229 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8229 LDB: ============= START OF LOAD BALANCING ============== 8229.31 LDB: Largest compute 7031 load 0.034395 is 17.6% of average load 0.195601 LDB: Average compute 0.004387 is 2.2% of average load 0.195601 LDB: TIME 8229.32 LOAD: AVG 0.195601 MAX 0.217227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.414 MB LDB: TIME 8229.32 LOAD: AVG 0.195601 MAX 0.217227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: TIME 8229.32 LOAD: AVG 0.195601 MAX 0.217227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: ============== END OF LOAD BALANCING =============== 8229.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8229.32 PRESSURE: 2576400 47.1838 49.9585 86.107 49.9588 -185.015 80.8939 86.108 80.893 -116.595 GPRESSURE: 2576400 33.3384 114.758 63.2498 82.3443 -52.8358 124.858 189.497 90.5151 -142.307 PRESSAVG: 2576400 -55.138 14.7796 -21.9216 14.7796 37.8852 -32.1088 -21.9216 -32.1088 -0.739357 GPRESSAVG: 2576400 -55.3038 10.9858 -22.3945 16.6571 37.6404 -31.9961 -21.7166 -29.8455 -0.843362 TIMING: 2576400 CPU: 8217.22, 0.00322273/step Wall: 8217.22, 0.00322273/step, 2.16961 hours remaining, 234.457031 MB of memory in use. ENERGY: 2576400 3965.7414 20261.2033 14482.2406 258.2907 -202934.5396 1986.3843 0.0000 0.0000 51964.5177 -110016.1616 298.6408 -161980.6793 -109656.0640 298.6377 -84.8088 -53.9347 760660.5982 -5.9974 -6.1689 PRESSURE: 2576600 -95.7433 134.267 76.2634 134.267 -5.41112 -103.275 76.2635 -103.274 244.676 GPRESSURE: 2576600 -18.1972 76.5865 62.2012 64.0901 45.7627 -111.716 25.0769 -24.7455 188.602 PRESSAVG: 2576600 -47.0802 -12.5971 -37.462 -12.5971 -7.46999 -7.34704 -37.462 -7.34704 -17.9201 GPRESSAVG: 2576600 -47.4323 -10.8076 -37.2454 -15.3141 -8.0406 -7.51535 -34.7606 -7.17027 -17.5105 TIMING: 2576600 CPU: 8217.85, 0.00314669/step Wall: 8217.85, 0.0031467/step, 2.11825 hours remaining, 234.656250 MB of memory in use. ENERGY: 2576600 3875.5238 20481.8007 14479.2561 236.7054 -203123.4458 2309.2600 0.0000 0.0000 51705.4145 -110035.4855 297.1517 -161740.8999 -109674.6640 297.9251 47.8406 72.0559 760353.1760 -24.1568 -24.3278 PRESSURE: 2576800 -515.657 113.141 218.325 113.141 -288.894 8.38912 218.327 8.38934 -242.727 GPRESSURE: 2576800 -430.875 147.516 199.602 -62.9394 -313.629 40.9587 264.385 -12.4871 -234.16 PRESSAVG: 2576800 13.2478 21.2238 -10.8104 21.2238 17.0483 5.36358 -10.8104 5.36356 9.61221 GPRESSAVG: 2576800 13.2549 19.8112 -12.2365 19.9942 16.0251 6.03508 -11.9099 1.71883 10.3334 TIMING: 2576800 CPU: 8218.47, 0.00313754/step Wall: 8218.47, 0.00313754/step, 2.11191 hours remaining, 234.656250 MB of memory in use. ENERGY: 2576800 4006.7408 20416.6663 14422.6049 245.6442 -203301.8500 2453.1959 0.0000 0.0000 51636.1480 -110120.8500 296.7537 -161756.9980 -109766.0758 297.9401 -349.0925 -326.2212 760303.6943 13.3028 13.2045 PRESSURE: 2577000 247.195 -29.5552 31.7109 -29.5552 24.8953 130.314 31.7107 130.313 217.773 GPRESSURE: 2577000 235.415 -84.6102 37.186 61.4357 51.3662 192.716 69.2601 135.716 279.996 PRESSAVG: 2577000 3.33231 -48.4362 16.9671 -48.4362 -5.37026 31.9912 16.9671 31.9911 -21.49 GPRESSAVG: 2577000 2.78246 -45.0912 20.285 -47.8138 -3.73324 30.8133 14.4921 33.665 -21.8412 TIMING: 2577000 CPU: 8219.1, 0.00313092/step Wall: 8219.1, 0.00313092/step, 2.10729 hours remaining, 234.656250 MB of memory in use. ENERGY: 2577000 3910.2972 20441.1447 14516.2780 234.3994 -204135.5836 2996.5785 0.0000 0.0000 52065.6874 -109971.1984 299.2222 -162036.8858 -109612.2480 297.9590 163.2878 188.9258 759245.4305 -7.8426 -7.5973 PRESSURE: 2577200 187.134 -268.092 86.9663 -268.091 -147.89 -90.5958 86.9662 -90.5953 -97.2934 GPRESSURE: 2577200 99.5368 -118.815 126.59 -195.303 -26.8769 -139.646 41.1749 55.7887 -28.4917 PRESSAVG: 2577200 -5.23244 -50.228 -42.5891 -50.2279 -42.8878 -9.26823 -42.5892 -9.26823 2.39956 GPRESSAVG: 2577200 -4.22912 -52.097 -43.4857 -49.072 -42.6424 -8.02578 -40.4481 -8.49349 1.2433 TIMING: 2577200 CPU: 8219.73, 0.00313216/step Wall: 8219.73, 0.00313216/step, 2.10795 hours remaining, 234.656250 MB of memory in use. ENERGY: 2577200 3986.3555 20435.0775 14515.9151 255.3981 -203723.5985 2523.7249 0.0000 0.0000 52084.3003 -109922.8272 299.3292 -162007.1275 -109560.8493 298.4626 -19.3496 14.7228 758743.2339 -15.2402 -15.2094 PRESSURE: 2577400 -13.7308 -89.6811 -193.781 -89.6813 11.3173 129.606 -193.782 129.606 -221.433 GPRESSURE: 2577400 -73.3571 -58.2229 -215.78 -42.3419 165.825 24.9239 -236.228 -9.31397 -227.36 PRESSAVG: 2577400 10.4593 -73.3428 26.7396 -73.3428 -27.1456 10.5426 26.7396 10.5426 15.1039 GPRESSAVG: 2577400 8.53164 -73.8761 26.6813 -73.2666 -26.9261 10.2551 26.7989 10.2614 17.2026 TIMING: 2577400 CPU: 8220.35, 0.00313377/step Wall: 8220.35, 0.00313377/step, 2.10885 hours remaining, 234.656250 MB of memory in use. ENERGY: 2577400 3970.3892 20454.6097 14413.7182 237.9342 -203882.9612 2729.6039 0.0000 0.0000 52020.8853 -110055.8206 298.9647 -162076.7060 -109694.2797 298.5060 -74.6155 -44.9640 758676.6320 -0.5274 -0.3973 PRESSURE: 2577600 -29.0235 139.482 133.905 139.482 106.544 -37.7605 133.904 -37.7595 58.6497 GPRESSURE: 2577600 -82.7913 182.235 143.67 142.092 122.865 19.2674 178.03 -19.3879 185.222 PRESSAVG: 2577600 -16.2922 9.55663 13.5257 9.55666 29.2102 -38.0608 13.5256 -38.0608 5.56519 GPRESSAVG: 2577600 -14.6236 11.0804 14.065 8.29496 27.3211 -37.5916 12.7815 -37.619 4.99775 TIMING: 2577600 CPU: 8220.99, 0.00315452/step Wall: 8220.99, 0.00315452/step, 2.12264 hours remaining, 234.656250 MB of memory in use. ENERGY: 2577600 3966.7046 20404.8545 14436.8818 262.9975 -203305.9064 2319.3215 0.0000 0.0000 51754.6315 -110160.5148 297.4346 -161915.1463 -109796.5146 298.0455 45.3900 75.0987 758782.4503 6.1610 5.8984 PRESSURE: 2577800 -199.533 1.20785 -38.3507 1.20764 54.111 27.3223 -38.3503 27.3227 193.769 GPRESSURE: 2577800 -35.3117 85.881 -111.393 -23.5834 -24.665 -40.9477 83.1398 194.163 187.336 PRESSAVG: 2577800 -37.0656 44.7577 65.4106 44.7576 26.0017 2.58228 65.4106 2.58225 -18.6198 GPRESSAVG: 2577800 -36.9069 43.9487 64.9395 45.6616 26.0818 4.01984 66.2876 1.67194 -18.4792 TIMING: 2577800 CPU: 8221.61, 0.00314788/step Wall: 8221.61, 0.00314788/step, 2.118 hours remaining, 234.656250 MB of memory in use. ENERGY: 2577800 3898.0850 20404.9602 14432.4110 259.7367 -203849.5894 2678.4312 0.0000 0.0000 52115.2747 -110060.6907 299.5072 -162175.9654 -109688.7454 297.8624 16.1159 42.4530 759607.6794 -9.8946 -9.7681 PRESSURE: 2578000 -104.749 279.25 45.0847 279.25 -311.869 242.419 45.0858 242.419 -26.2324 GPRESSURE: 2578000 -102.632 182.023 73.9845 171.085 -195.389 259.765 -19.8045 57.4992 -65.1138 PRESSAVG: 2578000 -54.5171 17.1055 6.08598 17.1054 62.9425 15.2553 6.08605 15.2552 19.3853 GPRESSAVG: 2578000 -54.6235 15.851 5.89817 16.7502 63.3018 12.873 5.17754 15.818 18.6314 TIMING: 2578000 CPU: 8222.24, 0.00314857/step Wall: 8222.24, 0.00314858/step, 2.11829 hours remaining, 234.656250 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: 2578000 4061.2658 20556.9463 14423.4776 264.8611 -203531.3274 2267.8031 0.0000 0.0000 51915.4896 -110041.4840 298.3590 -161956.9736 -109682.9264 298.2418 -147.6166 -121.0450 759788.1918 9.2702 9.1032 PRESSURE: 2578200 16.2964 -60.7632 -41.0462 -60.7631 43.1593 71.8934 -41.0475 71.8923 535.623 GPRESSURE: 2578200 2.33248 -51 35.3357 -76.5155 186.853 194.296 -12.3001 -12.2644 505.138 PRESSAVG: 2578200 5.35253 -25.2607 -58.4173 -25.2607 -0.166923 24.1367 -58.4172 24.1366 -0.548364 GPRESSAVG: 2578200 3.05455 -22.3315 -57.2796 -24.6884 1.21656 24.6688 -57.6413 22.9055 0.0879953 TIMING: 2578200 CPU: 8222.88, 0.00315871/step Wall: 8222.88, 0.00315871/step, 2.12494 hours remaining, 234.656250 MB of memory in use. ENERGY: 2578200 3957.2954 20314.3536 14426.5984 242.8012 -203470.6504 2407.7510 0.0000 0.0000 52027.9539 -110093.8969 299.0054 -162121.8508 -109727.7074 298.1066 198.3594 231.4412 760744.0612 1.5457 1.4530 PRESSURE: 2578400 140.656 17.8293 -143.786 17.829 -396.535 177.61 -143.785 177.61 96.2727 GPRESSURE: 2578400 165.486 -20.68 -37.3903 -49.8563 -345.094 146.714 -276.873 149.771 118.139 PRESSAVG: 2578400 40.0666 -12.9859 16.924 -12.9859 -80.3608 50.6576 16.924 50.6577 -6.52841 GPRESSAVG: 2578400 41.9427 -14.4464 16.1175 -13.7426 -82.597 49.324 17.8337 53.9795 -6.31857 TIMING: 2578400 CPU: 8223.51, 0.003169/step Wall: 8223.51, 0.003169/step, 2.13168 hours remaining, 234.656250 MB of memory in use. ENERGY: 2578400 4049.3617 20507.4512 14397.9882 241.4591 -202794.7996 2049.5935 0.0000 0.0000 51816.7108 -109732.2351 297.7913 -161548.9460 -109379.1893 298.3049 -53.2020 -20.4900 763032.1155 -15.6075 -15.6576 PRESSURE: 2578600 -148.069 40.6201 -43.3571 40.6193 -181.342 184.986 -43.3567 184.986 -4.86525 GPRESSURE: 2578600 -54.2397 144.274 -53.1402 -22.8385 -180.998 160.607 96.3275 172.585 -22.364 PRESSAVG: 2578600 26.2781 -27.8293 10.6876 -27.8293 11.1072 -7.72447 10.6877 -7.7245 -0.616189 GPRESSAVG: 2578600 25.4399 -26.4913 8.10186 -26.0116 11.6019 -5.73205 9.73061 -11.3503 -0.326768 TIMING: 2578600 CPU: 8224.15, 0.00317997/step Wall: 8224.15, 0.00317997/step, 2.13888 hours remaining, 234.656250 MB of memory in use. ENERGY: 2578600 4039.3365 20377.1733 14436.6221 245.0121 -202975.4584 2257.5292 0.0000 0.0000 52008.8597 -109610.9253 298.8956 -161619.7851 -109251.2957 298.7244 -111.4254 -85.8671 763586.4126 12.2564 12.2383 PRESSURE: 2578800 -50.7992 -182.858 -86.1178 -182.858 -183.735 137.045 -86.1181 137.045 14.2491 GPRESSURE: 2578800 -41.6323 -119.314 -85.954 -194.279 -177.309 222.785 -29.2445 181.269 87.7153 PRESSAVG: 2578800 49.1417 2.36389 -60.7511 2.36401 -96.6734 20.8535 -60.7511 20.8535 5.14318 GPRESSAVG: 2578800 49.595 1.18953 -58.4695 1.82773 -96.1876 19.9366 -60.074 23.9047 3.6221 TIMING: 2578800 CPU: 8224.78, 0.00315768/step Wall: 8224.78, 0.00315768/step, 2.12372 hours remaining, 234.656250 MB of memory in use. ENERGY: 2578800 3898.6607 20430.4423 14382.9327 277.6425 -203275.6299 2439.9742 0.0000 0.0000 52262.1405 -109583.8370 300.3512 -161845.9776 -109208.3790 298.9218 -73.4283 -43.7421 762313.8388 -14.1295 -14.3235 PRESSURE: 2579000 -143.709 65.1161 -33.9059 65.1161 -177.663 -93.2818 -33.9056 -93.2815 -211.199 GPRESSURE: 2579000 -59.0871 -57.2275 59.2722 -22.943 -206.001 -116.398 -116.376 -98.1437 -183.149 PRESSAVG: 2579000 105.366 -25.3779 23.0172 -25.3779 -75.7922 21.5135 23.0172 21.5134 25.9372 GPRESSAVG: 2579000 104.876 -26.1672 21.5574 -25.8817 -76.4004 20.5601 21.1268 21.5588 26.9377 TIMING: 2579000 CPU: 8225.41, 0.0031554/step Wall: 8225.41, 0.0031554/step, 2.122 hours remaining, 234.656250 MB of memory in use. ENERGY: 2579000 3978.5065 20576.9665 14486.1212 247.0027 -203043.2339 2342.4910 0.0000 0.0000 51815.8325 -109596.3136 297.7863 -161412.1461 -109240.8233 298.6399 -177.5234 -149.4124 760868.0481 18.5037 18.4710 PRESSURE: 2579200 249.277 -168.184 15.8616 -168.184 353.375 14.3006 15.8619 14.2992 358.805 GPRESSURE: 2579200 316.865 -327.115 -41.4329 -191.188 257.336 -2.98982 57.5598 15.8946 465.058 PRESSAVG: 2579200 -14.4357 39.8925 -11.4229 39.8924 -20.0796 -48.7299 -11.4229 -48.7299 32.402 GPRESSAVG: 2579200 -15.3406 39.7482 -10.6284 39.326 -18.3446 -49.1798 -9.06852 -50.7198 30.8042 TIMING: 2579200 CPU: 8226.04, 0.00314048/step Wall: 8226.04, 0.00314048/step, 2.1118 hours remaining, 234.656250 MB of memory in use. ENERGY: 2579200 3858.4393 20428.3413 14356.9970 240.9097 -203693.4706 2753.7905 0.0000 0.0000 52260.3860 -109794.6068 300.3412 -162054.9928 -109435.5413 298.8173 320.4857 346.4196 759817.9111 -0.7044 -0.9603 PRESSURE: 2579400 -140.274 139.839 119.867 139.84 -19.3772 -94.9056 119.867 -94.9059 -189.747 GPRESSURE: 2579400 -142.624 84.7686 143.772 31.28 32.5851 -106.494 107.429 -41.7343 -144.189 PRESSAVG: 2579400 -27.13 -32.0725 33.8414 -32.0725 6.98497 12.0925 33.8413 12.0925 -5.30735 GPRESSAVG: 2579400 -25.1139 -33.1417 33.774 -33.1017 4.52702 13.8353 33.3978 12.2415 -4.84871 TIMING: 2579400 CPU: 8226.67, 0.00314371/step Wall: 8226.67, 0.00314371/step, 2.11379 hours remaining, 234.656250 MB of memory in use. ENERGY: 2579400 3968.5105 20566.8469 14426.4945 241.9473 -202849.8889 2361.3116 0.0000 0.0000 51551.3817 -109733.3965 296.2665 -161284.7782 -109383.3444 298.8839 -116.4660 -84.7427 761560.4929 -8.4841 -8.4785 PRESSURE: 2579600 33.2715 -30.5208 -65.9306 -30.5208 -297.43 33.1328 -65.93 33.1319 -198.748 GPRESSURE: 2579600 82.134 53.9775 -4.8631 6.19432 -195.156 21.6236 -174.885 215.125 -268.488 PRESSAVG: 2579600 87.3394 6.80232 -21.6233 6.80233 -40.9703 -26.3989 -21.6233 -26.399 -8.30798 GPRESSAVG: 2579600 85.2533 8.63007 -19.8686 8.03555 -39.9431 -27.1421 -24.347 -25.0495 -7.6181 TIMING: 2579600 CPU: 8227.29, 0.00313856/step Wall: 8227.29, 0.00313856/step, 2.11016 hours remaining, 234.914062 MB of memory in use. ENERGY: 2579600 4042.6319 20444.7869 14299.2912 254.8469 -203347.7565 2381.3359 0.0000 0.0000 52134.7865 -109790.0772 299.6193 -161924.8637 -109433.1039 298.7303 -154.3024 -127.1700 761764.0795 12.6870 12.5640 PRESSURE: 2579800 122.071 -70.0803 111.345 -70.0798 -204.535 51.8488 111.345 51.8465 -142.053 GPRESSURE: 2579800 108.381 -155.973 134.675 -109.354 -108.811 13.0806 22.0358 57.0322 -135.751 PRESSAVG: 2579800 57.5294 49.2571 -6.28996 49.2572 -104.087 16.7087 -6.28995 16.7088 -0.582961 GPRESSAVG: 2579800 56.8236 49.3684 -6.9618 49.4893 -103.423 17.3526 -4.50365 16.9638 -0.62335 TIMING: 2579800 CPU: 8227.92, 0.00312091/step Wall: 8227.92, 0.00312091/step, 2.09812 hours remaining, 234.914062 MB of memory in use. ENERGY: 2579800 4075.4812 20331.5032 14465.2800 246.2783 -203353.3631 2662.2661 0.0000 0.0000 51767.1644 -109805.3898 297.5066 -161572.5542 -109440.9111 298.7514 -74.8388 -45.3936 761317.7325 -15.7136 -15.7409 PRESSURE: 2580000 -314.575 91.1446 -236.147 91.145 -95.9468 96.1226 -236.146 96.1209 224.743 GPRESSURE: 2580000 -250.652 32.2845 -211.595 22.8118 -73.5367 43.092 -143.283 -18.8851 227.622 PRESSAVG: 2580000 57.012 -26.1854 0.545838 -26.1854 -51.7929 43.2254 0.545811 43.2254 -8.6885 GPRESSAVG: 2580000 57.8424 -25.8781 -0.435613 -27.2787 -51.2356 43.0144 2.01996 40.0856 -9.50878 TIMING: 2580000 CPU: 8228.54, 0.00312702/step Wall: 8228.54, 0.00312702/step, 2.10205 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2580000 3932.2975 20465.5081 14438.3446 246.7538 -203155.6667 2245.3368 0.0000 0.0000 52100.7699 -109726.6560 299.4238 -161827.4258 -109360.5057 298.9676 -61.9264 -32.1891 761237.3900 -1.1565 -0.9673 PRESSURE: 2580200 -289.883 67.8255 79.8981 67.8259 87.5911 -180.362 79.8989 -180.363 -121.57 GPRESSURE: 2580200 -275.736 44.5745 5.1393 -64.47 85.1428 -162.451 94.3232 -152.125 -39.5972 PRESSAVG: 2580200 -32.6594 -43.3147 20.9293 -43.3147 4.43364 -3.27 20.9293 -3.2701 -9.23646 GPRESSAVG: 2580200 -32.3613 -43.0757 21.1082 -42.3224 2.683 -3.70653 20.0892 -0.166974 -7.90909 TIMING: 2580200 CPU: 8229.17, 0.00313699/step Wall: 8229.17, 0.00313699/step, 2.10858 hours remaining, 234.914062 MB of memory in use. ENERGY: 2580200 3960.2776 20333.1306 14533.9105 248.5335 -203524.9080 2639.4059 0.0000 0.0000 52052.5170 -109757.1329 299.1465 -161809.6498 -109391.6013 298.8356 -107.9542 -76.7300 760610.0417 -12.4874 -12.5291 LDB: ============= START OF LOAD BALANCING ============== 8241.59 LDB: ============== END OF LOAD BALANCING =============== 8241.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8241.59 LDB: ============= START OF LOAD BALANCING ============== 8241.91 LDB: Largest compute 7055 load 0.033138 is 17.0% of average load 0.195490 LDB: Average compute 0.004388 is 2.2% of average load 0.195490 LDB: TIME 8241.92 LOAD: AVG 0.19549 MAX 0.215177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.621 MB LDB: TIME 8241.92 LOAD: AVG 0.19549 MAX 0.215177 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: TIME 8241.92 LOAD: AVG 0.19549 MAX 0.215177 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: ============== END OF LOAD BALANCING =============== 8241.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8241.92 PRESSURE: 2580400 274.855 116.236 -159.312 116.235 -32.3381 3.50035 -159.311 3.49972 129.432 GPRESSURE: 2580400 223.778 -10.2046 -216.082 103.555 114.294 20.9136 -179.989 102.943 106.579 PRESSAVG: 2580400 52.7496 21.9441 -17.4429 21.944 -47.4467 -5.08404 -17.443 -5.084 14.721 GPRESSAVG: 2580400 52.7749 20.5529 -17.3113 20.6647 -47.1341 -5.40831 -19.0194 -6.16464 13.2691 TIMING: 2580400 CPU: 8229.82, 0.00323723/step Wall: 8229.82, 0.00323723/step, 2.17578 hours remaining, 233.164062 MB of memory in use. ENERGY: 2580400 3904.7058 20514.1471 14462.1759 251.6585 -203130.2794 2299.4557 0.0000 0.0000 52062.6086 -109635.5279 299.2045 -161698.1365 -109275.4231 298.9304 123.9828 148.2172 759721.8143 6.6746 6.3033 PRESSURE: 2580600 285.228 -154.614 35.9043 -154.614 35.7829 -10.5957 35.9039 -10.596 220.987 GPRESSURE: 2580600 268.258 -110.357 149.197 -89.6809 146.693 -5.43427 15.2523 -34.8095 213.679 PRESSAVG: 2580600 29.8768 6.88798 13.7411 6.88797 -18.0507 20.7854 13.7411 20.7854 -0.688437 GPRESSAVG: 2580600 29.1521 7.67991 14.7189 8.31677 -17.4656 21.2424 13.3261 21.8061 -0.731944 TIMING: 2580600 CPU: 8230.45, 0.00316041/step Wall: 8230.45, 0.00316041/step, 2.12397 hours remaining, 233.164062 MB of memory in use. ENERGY: 2580600 4036.9613 20471.7259 14453.5786 257.4007 -203641.1456 2746.5960 0.0000 0.0000 52108.4163 -109566.4670 299.4678 -161674.8832 -109207.2001 299.1430 180.6661 209.5433 759099.7159 3.7126 3.6515 PRESSURE: 2580800 -173.64 -83.8211 154.793 -83.8212 -710.584 47.1617 154.792 47.1613 -174.153 GPRESSURE: 2580800 -181.945 -52.9312 171.712 -105.808 -610.85 71.1764 113.901 -61.1299 -177.993 PRESSAVG: 2580800 11.5054 -7.8577 54.9117 -7.85777 -30.4452 50.4174 54.9117 50.4174 -10.2297 GPRESSAVG: 2580800 11.5209 -9.09471 53.16 -8.45187 -30.3067 51.8445 58.2925 47.7377 -9.74635 TIMING: 2580800 CPU: 8231.08, 0.00316586/step Wall: 8231.08, 0.00316586/step, 2.12746 hours remaining, 233.164062 MB of memory in use. ENERGY: 2580800 4035.1140 20442.0141 14416.0026 236.6104 -202925.0634 2234.2064 0.0000 0.0000 51854.3026 -109706.8133 298.0074 -161561.1159 -109343.9547 299.4130 -352.7925 -323.5961 760704.5418 -9.7231 -9.5107 PRESSURE: 2581000 78.4507 -1.54538 103.058 -1.5453 -307.704 8.6049 103.057 8.60443 -211.199 GPRESSURE: 2581000 70.3218 -37.3718 108.052 -7.90263 -166.677 20.3347 82.6007 -73.4863 -250.209 PRESSAVG: 2581000 109.72 -22.9121 14.8132 -22.912 -80.7061 23.173 14.8131 23.1729 3.44881 GPRESSAVG: 2581000 109.935 -21.8806 15.285 -21.9863 -81.0602 19.7719 12.8774 26.6423 3.73537 TIMING: 2581000 CPU: 8231.71, 0.00314107/step Wall: 8231.71, 0.00314107/step, 2.11062 hours remaining, 233.164062 MB of memory in use. ENERGY: 2581000 4006.3614 20421.6809 14404.9848 236.4043 -203140.0853 2287.5989 0.0000 0.0000 52183.2500 -109599.8050 299.8979 -161783.0550 -109231.6146 299.3251 -146.8174 -115.5213 761107.9947 10.8209 10.8699 PRESSURE: 2581200 -18.4573 -237.835 174.444 -237.836 -432.454 59.2416 174.445 59.2404 -143.517 GPRESSURE: 2581200 -105.179 -313.727 189.917 -104.605 -273.667 -25.8464 139.247 204.731 -121.256 PRESSAVG: 2581200 44.9042 -26.8291 -47.9651 -26.8291 -48.0906 -32.2732 -47.965 -32.2732 -2.35083 GPRESSAVG: 2581200 45.3292 -28.4541 -48.356 -27.5136 -48.1739 -30.7525 -48.7609 -33.1394 -2.38395 TIMING: 2581200 CPU: 8232.34, 0.00314285/step Wall: 8232.34, 0.00314285/step, 2.11164 hours remaining, 233.164062 MB of memory in use. ENERGY: 2581200 4022.7151 20418.9897 14491.9857 235.8107 -202742.1473 2036.4153 0.0000 0.0000 52063.0334 -109473.1975 299.2070 -161536.2309 -109120.6615 299.0531 -198.1428 -166.7010 760222.5546 -1.8457 -1.7429 PRESSURE: 2581400 -259.7 103.555 -34.7377 103.555 -192.879 -193.563 -34.7377 -193.563 285.043 GPRESSURE: 2581400 -130.693 206.823 -71.1347 52.4936 -181.408 -214.746 -1.97768 -224.103 243.233 PRESSAVG: 2581400 15.4898 -35.7084 21.8483 -35.7084 -52.392 -12.6284 21.8483 -12.6285 19.7323 GPRESSAVG: 2581400 14.9967 -34.6054 22.2869 -36.0127 -51.4781 -12.1266 22.0598 -14.0072 19.4555 TIMING: 2581400 CPU: 8232.97, 0.00314425/step Wall: 8232.97, 0.00314425/step, 2.11241 hours remaining, 233.164062 MB of memory in use. ENERGY: 2581400 4046.6032 20337.1830 14455.8255 242.1012 -202950.9690 2266.9528 0.0000 0.0000 52031.4677 -109570.8356 299.0256 -161602.3034 -109209.9590 298.9175 -55.8457 -22.9559 759669.6423 -5.7233 -5.6753 PRESSURE: 2581600 126.926 64.8763 216.447 64.8759 93.8327 98.963 216.446 98.9631 15.6494 GPRESSURE: 2581600 120.574 104.871 296.828 86.1065 150.83 86.9335 109.845 89.9753 17.6796 PRESSAVG: 2581600 -2.55632 -25.0728 28.1796 -25.0728 -48.0266 15.7623 28.1796 15.7623 -0.153987 GPRESSAVG: 2581600 -2.4308 -26.4104 28.2981 -22.1689 -49.2935 14.7697 29.0612 17.0838 0.300143 TIMING: 2581600 CPU: 8233.6, 0.00313631/step Wall: 8233.6, 0.00313631/step, 2.1069 hours remaining, 233.164062 MB of memory in use. ENERGY: 2581600 3935.6756 20439.2414 14510.8313 245.8617 -203011.7186 2209.8857 0.0000 0.0000 52330.9512 -109339.2717 300.7467 -161670.2229 -108970.3483 299.5715 78.8027 96.3612 759660.9275 -16.9123 -17.1414 PRESSURE: 2581800 -237.571 20.3364 -59.7269 20.3373 -103.801 58.2515 -59.7275 58.2508 71.8158 GPRESSURE: 2581800 -290.977 -50.3408 -58.0547 -125.919 -23.9563 142.949 -62.6434 54.6408 138.189 PRESSAVG: 2581800 70.279 -24.9922 11.1637 -24.9922 -86.1729 42.032 11.1636 42.0319 1.88862 GPRESSAVG: 2581800 70.0931 -25.5056 12.6493 -29.4498 -85.7366 42.6225 8.06284 40.8363 1.0997 TIMING: 2581800 CPU: 8234.23, 0.00315083/step Wall: 8234.23, 0.00315083/step, 2.11648 hours remaining, 233.164062 MB of memory in use. ENERGY: 2581800 3977.8437 20322.0949 14535.2418 251.7292 -203446.0818 2663.2019 0.0000 0.0000 52333.2932 -109362.6771 300.7602 -161695.9703 -108998.0183 299.8652 -89.8520 -58.9149 760723.8243 -4.6684 -4.8479 PRESSURE: 2582000 14.2051 -26.9353 -85.9145 -26.9354 -298.932 57.3642 -85.9138 57.3639 -185.329 GPRESSURE: 2582000 55.0131 -22.7349 -115.873 -79.7674 -245.789 146.592 -42.9754 188.847 -183.898 PRESSAVG: 2582000 75.4373 -15.4741 -9.14414 -15.4742 -40.0285 53.7396 -9.14421 53.7396 -24.3438 GPRESSAVG: 2582000 76.4144 -15.779 -10.8416 -15.0713 -40.4802 54.4166 -6.43416 54.1107 -24.3022 TIMING: 2582000 CPU: 8234.85, 0.00313952/step Wall: 8234.85, 0.00313953/step, 2.10871 hours remaining, 233.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2582000 3934.1256 20588.7189 14452.6061 255.8647 -203037.2207 2471.7242 0.0000 0.0000 51942.9395 -109391.2416 298.5168 -161334.1811 -109034.9307 299.9598 -156.6854 -124.8913 763493.2070 3.6883 3.8774 PRESSURE: 2582200 -55.8964 -141.849 55.9234 -141.849 -168.158 -81.1432 55.9233 -81.1427 -210.295 GPRESSURE: 2582200 -89.8555 -58.758 124.528 10.2819 -120.181 -132.467 133.598 -39.6656 -151.105 PRESSAVG: 2582200 71.2549 -44.0562 8.35929 -44.0563 -16.7012 27.1102 8.35939 27.1102 6.15541 GPRESSAVG: 2582200 70.8519 -43.5599 9.14579 -41.4121 -17.4424 26.9325 8.48546 28.5779 6.91576 TIMING: 2582200 CPU: 8235.48, 0.00313982/step Wall: 8235.48, 0.00313982/step, 2.10874 hours remaining, 233.164062 MB of memory in use. ENERGY: 2582200 4016.5225 20539.1430 14447.6603 233.3509 -203106.9564 2180.5756 0.0000 0.0000 52178.7920 -109510.9121 299.8722 -161689.7041 -109143.5924 299.6679 -144.7833 -120.3805 760754.8521 20.2364 20.1084 PRESSURE: 2582400 68.4204 -185.602 76.557 -185.602 -100.572 126.207 76.5578 126.206 222.334 GPRESSURE: 2582400 88.9945 -148.253 1.28673 -254.182 -16.8043 173.964 273.079 40.4288 195.7 PRESSAVG: 2582400 -30.5152 -20.8994 43.4143 -20.8993 15.5882 -11.3234 43.4143 -11.3234 -3.38702 GPRESSAVG: 2582400 -31.7027 -19.7431 43.6321 -24.3049 17.4258 -11.813 42.2516 -13.1473 -4.33574 TIMING: 2582400 CPU: 8236.11, 0.00316229/step Wall: 8236.11, 0.00316229/step, 2.12365 hours remaining, 233.164062 MB of memory in use. ENERGY: 2582400 3915.9806 20505.8411 14509.4756 252.1116 -203479.9404 2771.7804 0.0000 0.0000 51897.1343 -109627.6168 298.2535 -161524.7511 -109262.6058 298.9701 63.3939 89.2967 762780.5637 -6.1047 -6.2042 PRESSURE: 2582600 309.763 -139.247 -142.287 -139.248 -313.264 45.5956 -142.287 45.5948 -194.082 GPRESSURE: 2582600 180.279 -161.943 -112.324 -188.692 -163.399 41.5166 -215.969 74.8252 -140.271 PRESSAVG: 2582600 53.0052 -18.6283 31.7309 -18.6283 -47.9503 -29.0174 31.7309 -29.0174 -2.59714 GPRESSAVG: 2582600 53.3708 -19.3035 31.4118 -17.2649 -49.2737 -27.4422 32.6224 -29.0749 -1.34797 TIMING: 2582600 CPU: 8236.74, 0.00315149/step Wall: 8236.74, 0.00315149/step, 2.11623 hours remaining, 233.164062 MB of memory in use. ENERGY: 2582600 3987.1930 20472.5497 14474.6176 257.0394 -203195.7050 2342.2300 0.0000 0.0000 52333.1947 -109328.8807 300.7596 -161662.0754 -108968.0450 299.0912 -65.8607 -41.1302 760494.4585 0.8192 0.9164 PRESSURE: 2582800 -236.805 -95.7122 45.7362 -95.7125 34.7249 -62.268 45.737 -62.2675 -169.024 GPRESSURE: 2582800 -115.886 -85.6932 122.725 -100.805 32.5339 -176.163 24.7719 -130.097 -186.398 PRESSAVG: 2582800 7.06711 -18.9126 3.68653 -18.9126 12.6335 -67.5385 3.68656 -67.5385 -25.9363 GPRESSAVG: 2582800 6.48277 -18.8166 3.17371 -17.624 14.0255 -68.9627 4.06473 -70.2635 -26.8397 TIMING: 2582800 CPU: 8237.38, 0.00319265/step Wall: 8237.38, 0.00319265/step, 2.14369 hours remaining, 233.164062 MB of memory in use. ENERGY: 2582800 3959.1391 20610.6539 14520.8532 279.3974 -203072.8528 1979.2682 0.0000 0.0000 52323.4921 -109400.0489 300.7038 -161723.5409 -109044.8713 299.8344 -123.7013 -89.9165 759558.4230 -2.0785 -2.1105 PRESSURE: 2583000 -25.7139 251.953 -59.6782 251.953 92.0825 -33.4504 -59.6786 -33.4508 -9.40511 GPRESSURE: 2583000 -28.2524 55.901 -49.775 144.975 198.907 -61.6522 0.391038 -57.3689 -14.6381 PRESSAVG: 2583000 5.40227 -7.4378 27.4349 -7.43779 38.3418 -22.9089 27.4349 -22.9089 -21.3796 GPRESSAVG: 2583000 5.50034 -6.86945 28.0205 -9.21212 36.562 -22.0958 26.8132 -20.8163 -20.6207 TIMING: 2583000 CPU: 8238.03, 0.00321115/step Wall: 8238.03, 0.00321115/step, 2.15593 hours remaining, 233.164062 MB of memory in use. ENERGY: 2583000 4002.3022 20387.2431 14582.2864 228.2402 -203212.0062 2307.6099 0.0000 0.0000 52377.7538 -109326.5708 301.0157 -161704.3246 -108955.9028 300.2225 18.9878 52.0054 760503.1040 7.4548 7.1472 PRESSURE: 2583200 133.53 1.5234 25.3281 1.52286 -194.013 71.8858 25.3286 71.8866 -125.781 GPRESSURE: 2583200 255.954 2.08381 1.16472 6.17691 -176.717 19.4347 -62.0709 167.786 -191.49 PRESSAVG: 2583200 -7.69728 -13.8089 12.2034 -13.8088 -17.8292 -40.3684 12.2034 -40.3684 9.47414 GPRESSAVG: 2583200 -6.82121 -12.8273 12.7568 -14.8059 -17.8726 -40.8909 10.8531 -38.0098 8.33174 TIMING: 2583200 CPU: 8238.66, 0.00319394/step Wall: 8238.66, 0.00319394/step, 2.1442 hours remaining, 233.164062 MB of memory in use. ENERGY: 2583200 4043.9425 20576.3453 14469.2157 221.9301 -203207.0187 2218.3454 0.0000 0.0000 52215.9029 -109461.3366 300.0855 -161677.2395 -109094.0347 299.9074 -62.0878 -37.4178 761570.5526 -5.3508 -5.4540 PRESSURE: 2583400 174.813 229.109 -140.025 229.11 98.3852 135.043 -140.024 135.043 113.69 GPRESSURE: 2583400 202.661 153.114 -164.771 167.443 109.354 103.784 -123.031 -48.5779 167.353 PRESSAVG: 2583400 54.64 1.60974 -30.1473 1.60972 -21.9403 -13.2073 -30.1473 -13.2073 -5.71766 GPRESSAVG: 2583400 54.3178 0.525609 -31.3825 1.07931 -21.6759 -13.761 -29.1024 -14.9317 -5.30243 TIMING: 2583400 CPU: 8239.29, 0.00315277/step Wall: 8239.29, 0.00315277/step, 2.11639 hours remaining, 233.164062 MB of memory in use. ENERGY: 2583400 4031.7370 20597.4090 14517.5954 244.4378 -203566.3146 2694.0829 0.0000 0.0000 52031.7261 -109449.3263 299.0270 -161481.0524 -109093.0562 300.0358 128.9627 159.7891 761032.0026 8.9940 9.1132 PRESSURE: 2583600 -320.61 37.5772 283.035 37.5776 32.1492 -124.266 283.036 -124.265 261.987 GPRESSURE: 2583600 -200.18 -58.6127 283.209 170.724 53.2675 -183.56 213.651 21.3816 200.1 PRESSAVG: 2583600 49.7927 24.6646 56.156 24.6646 -57.3344 41.5493 56.156 41.5494 -1.55964 GPRESSAVG: 2583600 49.2802 24.2873 56.8285 26.099 -56.3109 41.4544 57.6973 43.4586 -1.49169 TIMING: 2583600 CPU: 8239.93, 0.00316656/step Wall: 8239.93, 0.00316656/step, 2.12546 hours remaining, 233.164062 MB of memory in use. ENERGY: 2583600 4050.7956 20617.8175 14506.4818 248.6011 -203518.2744 2593.0018 0.0000 0.0000 52171.8216 -109329.7550 299.8322 -161501.5766 -108959.2292 299.8098 -8.8246 17.7290 761766.2081 -3.0338 -2.8408 PRESSURE: 2583800 82.6097 -53.6596 2.21492 -53.6602 278.295 121.813 2.21569 121.812 -27.355 GPRESSURE: 2583800 142.211 -23.7064 15.2789 -13.523 279.599 79.2206 -44.3195 104.905 -7.62061 PRESSAVG: 2583800 91.5746 -14.2297 -32.5648 -14.2297 -37.5162 -2.92832 -32.5647 -2.92831 9.23614 GPRESSAVG: 2583800 91.5077 -13.162 -31.79 -14.8974 -36.9542 -2.85668 -34.628 -3.00621 9.32497 TIMING: 2583800 CPU: 8240.56, 0.00314717/step Wall: 8240.56, 0.00314717/step, 2.11228 hours remaining, 233.164062 MB of memory in use. ENERGY: 2583800 3953.4474 20527.3414 14598.5632 261.7284 -203403.5078 2529.7982 0.0000 0.0000 52107.9876 -109424.6415 299.4653 -161532.6291 -109060.7789 300.0350 111.1833 138.0633 760186.1055 21.0982 21.2928 PRESSURE: 2584000 -139.818 -280.352 102.856 -280.352 -417.367 150.99 102.856 150.99 -134.55 GPRESSURE: 2584000 -87.0581 -326.595 171.53 -456.961 -408.113 228.968 163.861 65.4406 -105.972 PRESSAVG: 2584000 35.6198 -43.0393 6.72302 -43.0394 -32.1139 18.0052 6.72297 18.0052 14.1784 GPRESSAVG: 2584000 35.4858 -43.9789 5.98328 -42.6438 -32.0082 17.9894 8.26352 16.9185 13.9637 TIMING: 2584000 CPU: 8241.19, 0.00315154/step Wall: 8241.19, 0.00315154/step, 2.11503 hours remaining, 233.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2584000 4061.7775 20579.3482 14472.5552 259.2287 -203587.8414 2394.4215 0.0000 0.0000 52297.0147 -109523.4956 300.5517 -161820.5103 -109160.9460 299.6194 -230.5783 -200.3809 760932.2070 5.8948 5.8138 PRESSURE: 2584200 -351.074 -26.6516 -3.22241 -26.6514 223.878 37.1871 -3.22205 37.1871 53.5514 GPRESSURE: 2584200 -296.188 -45.8527 -47.8674 -105.161 210.845 73.1999 -87.7324 140.91 115.445 PRESSAVG: 2584200 92.3369 -22.9074 8.79805 -22.9074 -69.9837 -17.5947 8.79815 -17.5947 17.9565 GPRESSAVG: 2584200 91.3484 -22.1604 8.46912 -23.7534 -68.8294 -16.2182 7.605 -14.7238 18.0667 TIMING: 2584200 CPU: 8241.82, 0.00317325/step Wall: 8241.82, 0.00317325/step, 2.12943 hours remaining, 233.164062 MB of memory in use. ENERGY: 2584200 3946.1421 20529.9949 14576.2987 226.6519 -203625.9210 2711.8294 0.0000 0.0000 52397.9082 -109237.0958 301.1315 -161635.0040 -108863.5176 300.0658 -24.5484 10.0339 762725.0321 13.4366 13.5286 LDB: ============= START OF LOAD BALANCING ============== 8254.25 LDB: ============== END OF LOAD BALANCING =============== 8254.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8254.25 LDB: ============= START OF LOAD BALANCING ============== 8254.57 LDB: Largest compute 7031 load 0.035934 is 18.4% of average load 0.195350 LDB: Average compute 0.004406 is 2.3% of average load 0.195350 LDB: TIME 8254.57 LOAD: AVG 0.19535 MAX 0.215584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.293 MB LDB: TIME 8254.57 LOAD: AVG 0.19535 MAX 0.215584 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: TIME 8254.57 LOAD: AVG 0.19535 MAX 0.215584 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: ============== END OF LOAD BALANCING =============== 8254.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8254.58 PRESSURE: 2584400 561.924 -137.678 70.2815 -137.677 -235.691 57.5304 70.281 57.5292 154.612 GPRESSURE: 2584400 534.533 -93.595 182.426 -157.116 -100.886 20.582 -8.44697 -36.4228 131.003 PRESSAVG: 2584400 33.0838 -51.2762 10.0807 -51.2762 -14.2967 16.832 10.0807 16.832 -29.1658 GPRESSAVG: 2584400 34.6623 -53.9835 11.6513 -50.0104 -16.4973 16.4965 8.95493 15.0841 -28.6331 TIMING: 2584400 CPU: 8242.47, 0.0032408/step Wall: 8242.47, 0.0032408/step, 2.17457 hours remaining, 234.511719 MB of memory in use. ENERGY: 2584400 4022.7556 20370.2477 14453.0935 247.4262 -203440.1542 2862.7471 0.0000 0.0000 52216.7479 -109267.1363 300.0904 -161483.8842 -108895.0027 299.7798 160.2816 188.2166 762604.9798 -3.4596 -3.4894 PRESSURE: 2584600 111.128 27.1507 152.202 27.1505 37.8191 -55.8726 152.203 -55.8735 342.43 GPRESSURE: 2584600 140.059 23.6871 122.874 -25.7357 53.8474 -76.7872 107.786 -56.3367 372.279 PRESSAVG: 2584600 58.413 -71.8449 18.9198 -71.8449 -35.7939 40.5726 18.9198 40.5726 -2.97587 GPRESSAVG: 2584600 58.0166 -68.9495 18.4113 -74.1511 -36.1762 40.747 21.8622 38.5773 -2.07442 TIMING: 2584600 CPU: 8243.11, 0.00317902/step Wall: 8243.11, 0.00317902/step, 2.13295 hours remaining, 234.582031 MB of memory in use. ENERGY: 2584600 4001.9763 20597.4666 14556.2817 242.3969 -203836.1378 3054.1433 0.0000 0.0000 51973.1290 -109410.7439 298.6903 -161383.8729 -109040.7648 299.4195 163.7926 188.7285 762449.8247 6.5478 6.5887 PRESSURE: 2584800 -190.415 -145.426 -42.1282 -145.427 149.489 147.596 -42.1281 147.595 98.3133 GPRESSURE: 2584800 -46.6035 -123.182 30.275 -79.1514 101.234 103.889 -14.0958 74.6206 83.6515 PRESSAVG: 2584800 21.787 -12.7631 42.5658 -12.7632 -63.1266 34.9075 42.5658 34.9076 -3.18302 GPRESSAVG: 2584800 22.7619 -15.5491 42.2279 -11.2191 -61.8383 34.034 40.8166 34.5857 -5.0646 TIMING: 2584800 CPU: 8243.74, 0.00316033/step Wall: 8243.74, 0.00316033/step, 2.12023 hours remaining, 234.582031 MB of memory in use. ENERGY: 2584800 3954.4636 20571.7845 14473.4651 260.3100 -203171.8998 2561.6138 0.0000 0.0000 51879.2491 -109471.0136 298.1508 -161350.2628 -109106.2246 299.2553 19.1291 46.0938 762540.4431 -14.8409 -14.7136 PRESSURE: 2585000 52.1413 -178.567 37.7266 -178.566 164.502 -167.221 37.7269 -167.221 -55.7281 GPRESSURE: 2585000 68.9474 -195.816 51.3884 -60.2051 134.446 -181.977 -48.0649 -34.369 51.2976 PRESSAVG: 2585000 20.0502 -50.2402 9.10061 -50.2402 -18.7111 -10.4023 9.10061 -10.4022 -6.93471 GPRESSAVG: 2585000 19.6805 -46.4948 8.18095 -50.5721 -18.7126 -10.2176 9.68256 -12.7235 -5.11649 TIMING: 2585000 CPU: 8244.38, 0.00318656/step Wall: 8244.38, 0.00318656/step, 2.13765 hours remaining, 234.582031 MB of memory in use. ENERGY: 2585000 3982.4608 20453.7412 14456.0229 250.5816 -203608.0642 2752.9096 0.0000 0.0000 52193.2343 -109519.1138 299.9552 -161712.3482 -109153.0250 299.5101 53.6384 84.8972 762360.4427 -1.8652 -1.3829 PRESSURE: 2585200 177.423 154.893 -144.176 154.894 12.8883 212.069 -144.176 212.069 37.2128 GPRESSURE: 2585200 259.333 25.7845 -157.287 44.3548 20.5062 181.556 -113.379 230.747 32.964 PRESSAVG: 2585200 -10.657 -29.731 -4.1034 -29.731 12.9904 5.72973 -4.10335 5.72973 3.48225 GPRESSAVG: 2585200 -9.77383 -32.8608 -3.27503 -28.5743 13.7413 6.22844 -4.16095 9.40702 1.72516 TIMING: 2585200 CPU: 8245.01, 0.00316905/step Wall: 8245.01, 0.00316906/step, 2.12573 hours remaining, 234.582031 MB of memory in use. ENERGY: 2585200 4088.3144 20626.3213 14421.1674 260.8063 -203946.7862 2894.2338 0.0000 0.0000 52102.3776 -109553.5654 299.4331 -161655.9430 -109205.8650 299.5305 75.8412 104.2677 761879.9473 1.9386 1.8975 PRESSURE: 2585400 32.3752 -137.755 144.725 -137.755 -0.835721 15.0277 144.725 15.0275 -268.198 GPRESSURE: 2585400 -11.9868 -262.391 99.0769 -184.809 78.1513 -34.6544 153.583 -45.5878 -234.982 PRESSAVG: 2585400 18.5831 -24.3415 9.54713 -24.3414 -38.7909 54.1182 9.5471 54.1183 -4.09155 GPRESSAVG: 2585400 18.1037 -25.0373 7.64957 -24.7505 -39.2511 53.7652 10.5622 55.5313 -3.42593 TIMING: 2585400 CPU: 8245.65, 0.00318767/step Wall: 8245.65, 0.00318767/step, 2.13804 hours remaining, 234.582031 MB of memory in use. ENERGY: 2585400 3965.6774 20586.4972 14491.7945 235.9886 -203554.4985 2726.5118 0.0000 0.0000 52100.4206 -109447.6086 299.4218 -161548.0292 -109074.6824 299.2332 -78.8862 -56.2724 761188.6434 -8.0998 -8.1911 PRESSURE: 2585600 -389.402 -115.833 -0.0164771 -115.831 -230.499 -137.853 -0.0158773 -137.852 -47.457 GPRESSURE: 2585600 -430.688 -151.009 -8.79242 -240.047 -204.037 -98.2282 -39.548 -55.1698 42.1317 PRESSAVG: 2585600 -28.0196 -9.4441 -25.7461 -9.44406 1.12749 50.9703 -25.7462 50.9704 -9.21833 GPRESSAVG: 2585600 -29.0979 -9.73591 -25.0219 -7.88038 1.47792 52.8788 -24.6661 48.7461 -8.42848 TIMING: 2585600 CPU: 8246.28, 0.00318988/step Wall: 8246.28, 0.00318988/step, 2.13934 hours remaining, 234.582031 MB of memory in use. ENERGY: 2585600 3998.5108 20663.4131 14426.8532 238.6009 -203100.5125 2508.1991 0.0000 0.0000 51979.4818 -109285.4537 298.7268 -161264.9355 -108919.4127 299.5638 -222.4525 -197.5310 761714.8946 -12.0368 -12.0161 PRESSURE: 2585800 243.686 113.078 62.4134 113.077 229.891 -97.4864 62.4133 -97.4869 -204.962 GPRESSURE: 2585800 287.799 122.099 -49.5597 -28.7008 224.281 -106.651 -132.826 -121.574 -157.511 PRESSAVG: 2585800 -12.1793 5.85524 -38.4296 5.85528 17.8821 -37.6527 -38.4295 -37.6527 10.2513 GPRESSAVG: 2585800 -12.0318 6.43061 -38.5908 4.99756 18.3132 -39.2413 -39.3476 -38.6766 9.96324 TIMING: 2585800 CPU: 8246.93, 0.00321413/step Wall: 8246.93, 0.00321413/step, 2.15543 hours remaining, 234.582031 MB of memory in use. ENERGY: 2585800 3957.0125 20602.5429 14440.4965 247.1245 -203173.1031 2324.7312 0.0000 0.0000 52372.3419 -109228.8536 300.9846 -161601.1955 -108860.1284 300.0895 89.5381 118.1898 761171.9135 5.3180 5.4149 PRESSURE: 2586000 -80.7776 -283.016 -1.26885 -283.016 166.023 19.7236 -1.26943 19.7232 -177.1 GPRESSURE: 2586000 -28.4271 -216.334 -6.13253 -125.64 164.093 63.0338 9.91233 147.41 -155.205 PRESSAVG: 2586000 37.0157 8.89837 -52.2548 8.89847 -31.2008 -22.8802 -52.2548 -22.8802 -9.00117 GPRESSAVG: 2586000 36.9257 11.6787 -51.5737 8.05413 -31.0444 -23.9695 -53.1679 -21.9023 -8.37435 TIMING: 2586000 CPU: 8247.57, 0.0032164/step Wall: 8247.57, 0.0032164/step, 2.15678 hours remaining, 234.582031 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: 2586000 4014.3118 20550.7423 14472.8782 249.9286 -202987.6459 2425.5470 0.0000 0.0000 52086.3758 -109187.8621 299.3411 -161274.2379 -108822.2066 299.5965 -30.6181 -6.5128 760811.1013 -1.0621 -0.8310 PRESSURE: 2586200 -105.154 88.4211 9.96123 88.4205 -148.254 -51.6495 9.96141 -51.6493 293.84 GPRESSURE: 2586200 -33.6711 62.5917 -47.6521 76.2703 -104.671 -45.8231 -27.5138 -165.406 242.27 PRESSAVG: 2586200 48.8729 -9.55403 -12.5727 -9.55399 -82.3652 -2.95751 -12.5727 -2.95751 -4.84995 GPRESSAVG: 2586200 47.4091 -13.4584 -12.0565 -9.09852 -81.3785 -2.1511 -13.9329 -3.58318 -5.11863 TIMING: 2586200 CPU: 8248.21, 0.00319496/step Wall: 8248.21, 0.00319496/step, 2.14222 hours remaining, 234.582031 MB of memory in use. ENERGY: 2586200 4016.5788 20562.7301 14518.2301 251.3735 -203082.4567 2278.9525 0.0000 0.0000 52185.1265 -109269.4652 299.9086 -161454.5917 -108905.5479 299.9348 13.4772 34.6426 762099.9898 -12.7808 -13.0294 PRESSURE: 2586400 104.975 -239.404 -106.174 -239.405 289.335 -47.644 -106.175 -47.6439 -182.672 GPRESSURE: 2586400 152.516 -281.408 8.7984 -311.614 293.878 -12.8633 -204.941 -96.5375 -149.348 PRESSAVG: 2586400 5.36378 -57.1813 -5.48132 -57.1813 15.3473 -2.90242 -5.48133 -2.90251 -0.606141 GPRESSAVG: 2586400 7.67951 -57.6743 -5.29768 -58.2941 14.1478 -3.01214 -4.11613 -2.02577 -1.3763 TIMING: 2586400 CPU: 8248.85, 0.00320521/step Wall: 8248.85, 0.00320521/step, 2.14891 hours remaining, 234.582031 MB of memory in use. ENERGY: 2586400 4016.7498 20540.4478 14501.1085 258.8395 -203442.3490 2661.2054 0.0000 0.0000 52341.1526 -109122.8454 300.8053 -161463.9980 -108754.2993 300.2349 70.5459 99.0155 761740.5244 6.7016 6.8170 PRESSURE: 2586600 -82.6966 119.107 156.199 119.107 -137.023 62.881 156.199 62.8829 -225.862 GPRESSURE: 2586600 30.7264 123.254 99.6379 161.237 -226.974 140.37 -4.66051 1.00141 -177.125 PRESSAVG: 2586600 13.0665 -2.7226 -47.1323 -2.72249 -18.2787 18.9795 -47.1324 18.9796 6.56178 GPRESSAVG: 2586600 12.1312 -2.22422 -48.0179 -1.88548 -17.9485 19.7405 -46.1272 19.3276 6.83856 TIMING: 2586600 CPU: 8249.49, 0.00319766/step Wall: 8249.49, 0.00319766/step, 2.14368 hours remaining, 234.582031 MB of memory in use. ENERGY: 2586600 3964.3584 20529.1746 14448.3223 242.9581 -203011.6154 2332.8955 0.0000 0.0000 52300.9287 -109192.9778 300.5742 -161493.9065 -108836.4151 300.1189 -148.5271 -124.4576 761010.3860 0.4499 0.3404 PRESSURE: 2586800 -3.49478 263.243 -274.574 263.243 -8.5525 -27.2384 -274.574 -27.238 -292.344 GPRESSURE: 2586800 44.8995 280.377 -246.136 162.543 -31.6445 -63.3053 -279.678 -6.14475 -207.302 PRESSAVG: 2586800 -4.51556 4.83437 16.5357 4.83435 4.58999 -23.0216 16.5357 -23.0215 16.8207 GPRESSAVG: 2586800 -4.29735 4.82599 17.2104 5.19975 4.25494 -24.3575 16.8582 -23.9373 17.504 TIMING: 2586800 CPU: 8250.13, 0.00319959/step Wall: 8250.13, 0.00319959/step, 2.14479 hours remaining, 234.582031 MB of memory in use. ENERGY: 2586800 4017.9108 20438.6781 14487.2615 242.2870 -203460.9876 2643.3011 0.0000 0.0000 52085.5481 -109546.0010 299.3364 -161631.5491 -109177.0329 299.7609 -101.4639 -64.6823 761741.8094 5.6317 5.8205 PRESSURE: 2587000 -417.929 -61.662 -114.221 -61.6622 -76.4568 -171.04 -114.222 -171.041 360.392 GPRESSURE: 2587000 -391.692 -53.2564 -98.1086 55.7318 14.2247 -188.404 -64.2083 -61.0021 335.654 PRESSAVG: 2587000 10.4295 72.2593 -4.37061 72.2593 6.86878 14.8304 -4.3706 14.8305 -2.54116 GPRESSAVG: 2587000 10.6578 70.8709 -4.34318 73.6063 7.01301 15.4468 -6.98853 14.3569 -2.89638 TIMING: 2587000 CPU: 8250.77, 0.00318497/step Wall: 8250.77, 0.00318497/step, 2.13481 hours remaining, 234.582031 MB of memory in use. ENERGY: 2587000 3875.3181 20519.2869 14508.9477 235.6551 -203600.2704 2718.2809 0.0000 0.0000 52141.9466 -109600.8350 299.6605 -161742.7817 -109235.3836 299.2569 -44.6645 -13.9376 761349.3736 4.9190 4.9248 PRESSURE: 2587200 17.188 -4.23095 -10.4356 -4.23098 107.413 197.514 -10.4355 197.514 220.699 GPRESSURE: 2587200 -31.8776 7.54975 117.535 -45.2366 180.422 171.535 38.6699 144.568 262.498 PRESSAVG: 2587200 -31.0353 17.2512 24.2473 17.2511 4.27686 64.932 24.2473 64.9321 16.5636 GPRESSAVG: 2587200 -31.2204 18.6943 23.9102 16.9867 4.55062 65.5323 28.1464 66.515 16.7775 TIMING: 2587200 CPU: 8251.4, 0.0031855/step Wall: 8251.4, 0.0031855/step, 2.13499 hours remaining, 234.582031 MB of memory in use. ENERGY: 2587200 3947.3026 20601.7472 14491.1398 257.8177 -203184.7518 2387.6285 0.0000 0.0000 51920.9709 -109578.1452 298.3905 -161499.1161 -109219.4819 299.3035 115.1000 137.0141 760712.6774 -3.3983 -3.2974 PRESSURE: 2587400 -145.695 -199.835 351.253 -199.836 -11.8141 -39.9396 351.253 -39.9389 138.567 GPRESSURE: 2587400 -121.39 -293.548 303.304 -202.147 78.6788 -96.0117 187.641 25.5941 97.0566 PRESSAVG: 2587400 2.204 -41.0456 38.0124 -41.0456 -14.99 23.0663 38.0124 23.0663 -32.5307 GPRESSAVG: 2587400 2.87207 -41.6201 38.2014 -41.6448 -14.8014 22.322 35.0126 20.7342 -33.1069 TIMING: 2587400 CPU: 8252.04, 0.00317964/step Wall: 8252.04, 0.00317964/step, 2.13089 hours remaining, 234.582031 MB of memory in use. ENERGY: 2587400 3969.4815 20504.9572 14436.9472 249.8407 -203225.5288 2296.2473 0.0000 0.0000 52318.9466 -109449.1083 300.6777 -161768.0549 -109089.7795 299.2616 -6.3138 18.1151 761178.8513 -15.1055 -15.0121 PRESSURE: 2587600 -203.175 -162.962 181.114 -162.961 68.1018 -53.9487 181.114 -53.9489 -286.532 GPRESSURE: 2587600 -130.239 -71.0077 129.534 -105.629 40.1387 -52.5589 309.346 21.9516 -238.793 PRESSAVG: 2587600 -3.05173 8.17022 23.2558 8.17017 -66.4779 8.79979 23.2558 8.7998 -23.2487 GPRESSAVG: 2587600 -2.56561 9.14809 23.8286 8.06366 -66.4319 10.9042 24.9874 9.25027 -23.3602 TIMING: 2587600 CPU: 8252.67, 0.00317041/step Wall: 8252.67, 0.00317041/step, 2.12453 hours remaining, 234.582031 MB of memory in use. ENERGY: 2587600 3958.7879 20521.0498 14503.2579 265.0824 -203383.9299 2565.1708 0.0000 0.0000 52112.9843 -109457.5966 299.4940 -161570.5809 -109099.4306 299.3142 -140.5351 -109.6310 761069.6436 -30.9261 -30.7859 PRESSURE: 2587800 -6.8616 221.413 120.883 221.413 246.573 -126.842 120.883 -126.841 14.7865 GPRESSURE: 2587800 -18.3743 207.822 133.804 193.378 344.651 -163.1 62.333 -110.933 0.401831 PRESSAVG: 2587800 -47.6607 -50.5278 24.4431 -50.5278 15.7648 -28.6388 24.443 -28.6389 10.9488 GPRESSAVG: 2587800 -48.3808 -50.0036 25.0795 -51.0052 15.5336 -30.1351 22.4561 -29.7258 11.4854 TIMING: 2587800 CPU: 8253.32, 0.0032069/step Wall: 8253.32, 0.0032069/step, 2.1488 hours remaining, 234.582031 MB of memory in use. ENERGY: 2587800 3934.5702 20425.9645 14498.6744 248.3403 -203143.8465 2509.9827 0.0000 0.0000 51816.7402 -109709.5741 297.7915 -161526.3143 -109342.3319 299.0445 84.8328 108.8929 763009.7078 -6.9824 -7.1206 PRESSURE: 2588000 -16.57 -38.1992 124.573 -38.1989 158.981 -32.6026 124.572 -32.6039 72.3469 GPRESSURE: 2588000 118.791 -115.462 133.374 -15.3955 87.4824 -110.926 247.936 77.9573 100.005 PRESSAVG: 2588000 -7.76295 10.708 18.6756 10.708 -44.8003 -26.6886 18.6756 -26.6885 11.6741 GPRESSAVG: 2588000 -7.49979 11.248 19.5528 10.1282 -44.9031 -26.79 19.7418 -24.0355 11.8737 TIMING: 2588000 CPU: 8253.96, 0.00319999/step Wall: 8253.96, 0.00319999/step, 2.14399 hours remaining, 234.582031 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: 2588000 3970.2149 20410.7610 14522.7027 248.3426 -203414.6672 2670.2819 0.0000 0.0000 52071.9678 -109520.3963 299.2583 -161592.3641 -109167.4935 298.8099 71.5859 102.0928 763407.3345 -13.6297 -13.5097 PRESSURE: 2588200 95.7919 97.7677 17.5515 97.7679 -133.812 -180.329 17.5515 -180.329 -276.164 GPRESSURE: 2588200 41.3811 89.3366 66.1445 1.6366 -109.528 -231.303 -6.77714 -64.2731 -139.263 PRESSAVG: 2588200 -24.2219 -15.1364 46.885 -15.1365 30.1905 -25.4648 46.8851 -25.4647 -0.495539 GPRESSAVG: 2588200 -24.662 -16.0053 44.9704 -14.3569 30.3576 -25.7249 47.4092 -25.586 0.315985 TIMING: 2588200 CPU: 8254.59, 0.00318456/step Wall: 8254.59, 0.00318456/step, 2.13348 hours remaining, 234.582031 MB of memory in use. ENERGY: 2588200 3935.5437 20424.3245 14425.4941 241.9677 -203017.4136 2631.2779 0.0000 0.0000 51743.3901 -109615.4155 297.3700 -161358.8057 -109258.3320 298.8462 -104.7281 -69.1366 763499.1976 1.8244 2.0039 LDB: ============= START OF LOAD BALANCING ============== 8267.02 LDB: ============== END OF LOAD BALANCING =============== 8267.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8267.02 LDB: ============= START OF LOAD BALANCING ============== 8267.34 LDB: Largest compute 7047 load 0.032941 is 16.9% of average load 0.195454 LDB: Average compute 0.004377 is 2.2% of average load 0.195454 LDB: TIME 8267.34 LOAD: AVG 0.195454 MAX 0.217599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.836 MB LDB: TIME 8267.34 LOAD: AVG 0.195454 MAX 0.217599 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: TIME 8267.34 LOAD: AVG 0.195454 MAX 0.217599 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: ============== END OF LOAD BALANCING =============== 8267.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8267.35 PRESSURE: 2588400 -534.052 158.98 -81.3186 158.98 -46.6484 -66.4047 -81.3185 -66.4048 -370.329 GPRESSURE: 2588400 -521.215 35.2055 -168.438 11.0666 -20.0717 -63.2304 -31.98 -11.3628 -303.443 PRESSAVG: 2588400 2.27121 49.3826 52.0463 49.3825 -11.8103 -12.8863 52.0464 -12.8863 2.31654 GPRESSAVG: 2588400 2.71294 49.4486 51.6783 49.6159 -11.4447 -12.752 51.3734 -15.2028 1.74856 TIMING: 2588400 CPU: 8255.24, 0.0032515/step Wall: 8255.24, 0.00325151/step, 2.17815 hours remaining, 234.644531 MB of memory in use. ENERGY: 2588400 4035.4155 20355.9382 14517.6663 247.5279 -203110.3217 2517.4109 0.0000 0.0000 52023.3829 -109412.9800 298.9791 -161436.3629 -109049.9934 299.0269 -317.0097 -281.5768 763118.9613 -2.4075 -2.3277 PRESSURE: 2588600 13.9287 -229.801 -1.44198 -229.801 23.8972 -216.235 -1.44256 -216.236 -156.393 GPRESSURE: 2588600 60.1612 -77.7279 -71.9876 -151.906 28.0565 -218.284 41.4967 -122.806 -120.601 PRESSAVG: 2588600 1.36615 -19.5129 -28.4868 -19.5129 43.199 -46.8883 -28.4867 -46.8883 -3.88798 GPRESSAVG: 2588600 0.772693 -18.8827 -27.0752 -20.2104 44.7589 -48.1307 -27.746 -44.0923 -4.54926 TIMING: 2588600 CPU: 8255.87, 0.00315771/step Wall: 8255.87, 0.00315771/step, 2.11514 hours remaining, 234.910156 MB of memory in use. ENERGY: 2588600 3969.6367 20445.7090 14536.5714 233.9063 -203115.1372 2421.5374 0.0000 0.0000 52335.7649 -109172.0115 300.7744 -161507.7764 -108821.6539 299.3260 -39.5223 -10.7945 760922.4249 13.5590 13.6608 PRESSURE: 2588800 180.895 -244.438 -26.1324 -244.437 189.957 244.837 -26.1325 244.837 -198.122 GPRESSURE: 2588800 178.999 -224.053 90.2712 -241.108 254.519 253.555 -16.8252 148.836 -171.309 PRESSAVG: 2588800 4.1305 -9.51726 15.7177 -9.51724 -7.51979 32.9859 15.7176 32.9858 18.0677 GPRESSAVG: 2588800 4.55589 -9.53037 14.594 -7.95061 -9.75602 33.4147 15.0049 31.9644 19.7516 TIMING: 2588800 CPU: 8256.51, 0.0031821/step Wall: 8256.51, 0.0031821/step, 2.1313 hours remaining, 234.910156 MB of memory in use. ENERGY: 2588800 3968.5206 20713.0941 14578.4964 257.9303 -203378.7008 2655.0929 0.0000 0.0000 52119.8227 -109085.7438 299.5333 -161205.5665 -108731.3150 299.9574 57.5766 87.4030 761546.4448 4.8928 4.8505 PRESSURE: 2589000 -279.435 65.1112 96.7067 65.111 -324.582 104.67 96.707 104.671 -305.697 GPRESSURE: 2589000 -298.317 143.462 109.702 8.066 -223.271 32.9772 107.095 194.453 -306.785 PRESSAVG: 2589000 12.9527 -7.17941 -37.2559 -7.17942 35.2485 24.8846 -37.2559 24.8846 -26.2103 GPRESSAVG: 2589000 11.5052 -9.20646 -37.8863 -7.3457 37.55 25.9721 -35.4945 24.1237 -27.3783 TIMING: 2589000 CPU: 8257.14, 0.00314039/step Wall: 8257.14, 0.00314039/step, 2.10319 hours remaining, 235.109375 MB of memory in use. ENERGY: 2589000 4039.8486 20493.0980 14532.4083 258.6030 -202896.9301 2033.1853 0.0000 0.0000 52253.1153 -109286.6716 300.2994 -161539.7869 -108916.4471 300.1477 -303.2379 -276.1244 762181.1302 7.3303 7.2257 PRESSURE: 2589200 -120.071 14.6888 -24.6637 14.6888 -32.9782 191.212 -24.6639 191.214 -183.86 GPRESSURE: 2589200 -122.29 34.8243 -46.6237 -13.5976 -30.0728 141.3 -24.386 20.3982 -103.073 PRESSAVG: 2589200 20.4934 11.439 0.740696 11.439 11.4198 0.0462038 0.740662 0.0461466 10.0785 GPRESSAVG: 2589200 21.5787 13.2042 0.515832 9.20224 10.8997 -0.859596 -1.91575 -0.147555 9.31571 TIMING: 2589200 CPU: 8257.77, 0.00314489/step Wall: 8257.77, 0.00314489/step, 2.10602 hours remaining, 235.109375 MB of memory in use. ENERGY: 2589200 3977.4356 20449.7634 14555.8696 251.1720 -202744.0058 1899.1679 0.0000 0.0000 52094.9586 -109515.6388 299.3904 -161610.5974 -109150.2488 299.4320 -112.3030 -85.1452 761350.6602 13.9972 13.9314 PRESSURE: 2589400 -580.427 -111.254 56.0194 -111.254 -63.1936 -5.01235 56.0188 -5.01308 132.453 GPRESSURE: 2589400 -464.369 -5.93193 81.5299 -29.1002 -17.2233 -10.8373 -24.3889 -91.8774 86.5655 PRESSAVG: 2589400 -59.9576 -15.4648 14.5812 -15.4648 69.6892 34.2613 14.5813 34.2612 7.68773 GPRESSAVG: 2589400 -61.2294 -15.1021 14.2895 -15.6519 69.7839 35.109 14.8403 32.5283 8.67742 TIMING: 2589400 CPU: 8258.4, 0.00314623/step Wall: 8258.4, 0.00314623/step, 2.10675 hours remaining, 235.109375 MB of memory in use. ENERGY: 2589400 3959.9951 20400.6066 14443.0493 229.5685 -203286.4550 2498.3633 0.0000 0.0000 52266.6345 -109488.2377 300.3771 -161754.8722 -109122.6739 299.0111 -170.3893 -131.6758 760442.2978 5.8065 5.7440 PRESSURE: 2589600 -145.202 -150.601 124.851 -150.601 240.74 -139.903 124.851 -139.904 11.8092 GPRESSURE: 2589600 -6.76156 -66.2658 -73.1329 -128.088 166.023 -232.58 175.497 7.53798 24.5858 PRESSAVG: 2589600 -36.292 -100.803 31.4053 -100.803 27.9971 -21.5191 31.4053 -21.5191 -14.0766 GPRESSAVG: 2589600 -34.5263 -99.0405 32.4369 -99.8977 26.4765 -21.08 34.2008 -20.5066 -13.9524 TIMING: 2589600 CPU: 8259.03, 0.00314283/step Wall: 8259.03, 0.00314283/step, 2.1043 hours remaining, 235.109375 MB of memory in use. ENERGY: 2589600 4019.4596 20424.0105 14467.6785 264.6382 -203743.3954 2841.8104 0.0000 0.0000 52134.7047 -109591.0936 299.6189 -161725.7983 -109222.3819 298.8265 35.7827 61.2824 761539.2053 -7.4572 -7.3341 PRESSURE: 2589800 13.1652 -98.1057 -58.0101 -98.106 310.133 -192.781 -58.01 -192.781 360.331 GPRESSURE: 2589800 59.4964 -86.0968 -48.5149 -129.897 322.641 -213.117 -39.5352 -169.7 385.686 PRESSAVG: 2589800 36.2128 11.3625 59.8553 11.3625 -40.4741 0.940306 59.8553 0.940297 31.9451 GPRESSAVG: 2589800 35.15 9.10162 59.8299 11.5682 -40.2635 0.0240887 61.0132 4.35698 32.5943 TIMING: 2589800 CPU: 8259.65, 0.00314273/step Wall: 8259.65, 0.00314273/step, 2.10406 hours remaining, 235.109375 MB of memory in use. ENERGY: 2589800 3947.7164 20505.5023 14480.7610 240.1630 -203546.8211 2605.2878 0.0000 0.0000 52050.5948 -109716.7959 299.1355 -161767.3907 -109350.3898 298.7885 227.8765 255.9413 760505.7927 9.2279 9.1603 PRESSURE: 2590000 -2.25073 209.868 160.412 209.868 -237.873 141.184 160.413 141.184 -469.517 GPRESSURE: 2590000 117.073 247.321 70.977 218.594 -286.014 87.1666 156.792 218.488 -474.73 PRESSAVG: 2590000 25.627 -22.5062 -21.607 -22.5062 -58.9668 19.8178 -21.6071 19.8179 20.4481 GPRESSAVG: 2590000 26.9629 -20.9679 -21.023 -23.26 -58.7505 20.419 -24.2678 17.5249 18.817 TIMING: 2590000 CPU: 8260.29, 0.00316192/step Wall: 8260.29, 0.00316192/step, 2.11673 hours remaining, 235.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2590000 4009.7426 20433.9876 14452.8531 260.1626 -203772.6535 2649.2307 0.0000 0.0000 52299.9885 -109666.6884 300.5688 -161966.6769 -109294.5141 298.9241 -236.5468 -214.5571 762455.8501 -4.2972 -4.3235 PRESSURE: 2590200 -320.468 -133.499 -37.9788 -133.499 -185.153 -29.4426 -37.9782 -29.4421 -260.039 GPRESSURE: 2590200 -249.445 -53.0637 -93.9991 -212.034 -207.644 2.94779 43.7375 -17.7762 -221.335 PRESSAVG: 2590200 53.1702 25.3391 4.03876 25.3391 -94.6658 13.2927 4.0387 13.2927 -1.52092 GPRESSAVG: 2590200 52.2224 22.0303 3.23201 27.1852 -94.7438 12.447 2.26461 15.0237 -0.47409 TIMING: 2590200 CPU: 8260.92, 0.00315671/step Wall: 8260.92, 0.00315671/step, 2.11306 hours remaining, 235.109375 MB of memory in use. ENERGY: 2590200 4018.7532 20439.9947 14484.7994 254.7202 -203611.4225 2646.0972 0.0000 0.0000 52036.2102 -109730.8475 299.0528 -161767.0577 -109366.8108 299.1951 -255.2202 -226.1410 762011.6740 -14.3388 -14.3318 PRESSURE: 2590400 175.974 -80.2786 -65.2443 -80.2783 195.751 117.515 -65.2442 117.514 521.181 GPRESSURE: 2590400 228.744 -43.8006 -55.5132 -137.944 288.162 98.6506 3.94507 133.072 470.395 PRESSAVG: 2590400 24.9186 -7.15954 4.59425 -7.15949 -50.6536 -33.5138 4.59431 -33.5137 6.11211 GPRESSAVG: 2590400 24.7002 -5.30959 3.85069 -7.55382 -50.4559 -33.0446 9.41116 -34.9154 5.73602 TIMING: 2590400 CPU: 8261.55, 0.0031586/step Wall: 8261.55, 0.0031586/step, 2.11416 hours remaining, 235.109375 MB of memory in use. ENERGY: 2590400 3918.3519 20252.3558 14515.1661 261.6184 -203504.8953 2567.9090 0.0000 0.0000 52180.1908 -109809.3032 299.8803 -161989.4941 -109438.5210 298.2156 297.6353 329.1003 761649.3665 -6.5410 -6.6732 PRESSURE: 2590600 377.863 136.111 54.6614 136.11 22.5922 82.2167 54.662 82.2159 -36.7811 GPRESSURE: 2590600 391.983 61.3674 75.9572 -12.2784 21.6917 37.3535 260.847 -40.5923 51.9454 PRESSAVG: 2590600 11.2723 -42.4826 19.5887 -42.4827 -14.014 18.7431 19.5888 18.7432 -12.3641 GPRESSAVG: 2590600 12.0378 -43.1465 21.764 -42.6847 -14.8237 18.0647 17.4187 18.389 -12.1977 TIMING: 2590600 CPU: 8262.18, 0.00315195/step Wall: 8262.18, 0.00315195/step, 2.10953 hours remaining, 235.109375 MB of memory in use. ENERGY: 2590600 4004.0402 20358.3457 14411.8620 230.2768 -203656.9950 2763.1032 0.0000 0.0000 51995.1951 -109894.1720 298.8171 -161889.3671 -109521.3721 298.5315 121.2245 155.2066 762566.3172 -5.0353 -4.9945 PRESSURE: 2590800 150.28 -106.864 47.2064 -106.864 23.7488 134.538 47.2069 134.538 98.356 GPRESSURE: 2590800 178.243 -48.2271 40.6761 5.30979 51.5011 189.241 4.7312 -1.10218 121.096 PRESSAVG: 2590800 18.0689 5.29462 -7.84843 5.2946 -3.97211 -18.4833 -7.84846 -18.4832 11.9852 GPRESSAVG: 2590800 18.5572 6.09131 -7.78722 5.09828 -3.62707 -17.0918 -7.99586 -17.9854 11.7221 TIMING: 2590800 CPU: 8262.81, 0.0031394/step Wall: 8262.81, 0.0031394/step, 2.10096 hours remaining, 235.109375 MB of memory in use. ENERGY: 2590800 3948.7126 20433.1579 14590.5938 252.2091 -203593.5238 2759.8649 0.0000 0.0000 51771.7260 -109837.2595 297.5328 -161608.9855 -109466.8897 298.1748 90.7948 116.9467 760307.9187 8.6940 8.8841 PRESSURE: 2591000 -70.1286 297.026 154.814 297.025 -160.348 101.375 154.814 101.374 -171.375 GPRESSURE: 2591000 -61.0017 233.549 183.249 354.571 -35.9196 82.2846 44.7934 48.2148 -228.138 PRESSAVG: 2591000 46.4006 18.4694 -4.66026 18.4694 -22.6213 2.06644 -4.66025 2.06643 -4.63052 GPRESSAVG: 2591000 45.4009 17.035 -3.82975 18.7701 -21.4646 3.52526 -6.64826 0.620592 -5.01746 TIMING: 2591000 CPU: 8263.43, 0.00312839/step Wall: 8263.43, 0.0031284/step, 2.09342 hours remaining, 235.109375 MB of memory in use. ENERGY: 2591000 3972.3668 20573.2310 14524.1255 246.9527 -203406.0628 2489.4330 0.0000 0.0000 51919.2553 -109680.6984 298.3807 -161599.9537 -109315.5776 298.4940 -133.9507 -108.3532 761299.9994 6.3829 6.3063 PRESSURE: 2591200 -118.107 -126.68 219.007 -126.679 -432.711 30.4345 219.007 30.4338 -222.974 GPRESSURE: 2591200 -143.473 -130.267 296.292 -132.94 -262.754 9.25212 172.04 -46.919 -262.788 PRESSAVG: 2591200 56.2871 30.8147 25.6933 30.8146 -33.2999 28.9352 25.6933 28.9351 -1.56125 GPRESSAVG: 2591200 55.8078 32.4001 25.4171 28.1436 -32.9954 27.3983 26.1116 29.8014 -0.963458 TIMING: 2591200 CPU: 8264.06, 0.00312512/step Wall: 8264.06, 0.00312512/step, 2.09105 hours remaining, 235.109375 MB of memory in use. ENERGY: 2591200 4010.3273 20466.7691 14524.2787 248.0729 -203515.8890 2539.8336 0.0000 0.0000 51971.1005 -109755.5068 298.6786 -161726.6072 -109381.7495 298.2192 -257.9305 -223.0052 761132.4323 7.1420 7.2830 PRESSURE: 2591400 -161.11 331.331 -122.092 331.332 -64.6829 27.405 -122.091 27.4046 362.386 GPRESSURE: 2591400 -158.365 284.94 -10.5659 295.242 17.6987 -18.1536 -63.2407 72.5677 364.059 PRESSAVG: 2591400 -13.5888 2.95493 15.6914 2.95497 -8.86118 19.2524 15.6914 19.2524 -14.9609 GPRESSAVG: 2591400 -13.9727 2.33478 15.1822 6.09079 -9.45614 20.6595 15.505 19.9614 -14.0788 TIMING: 2591400 CPU: 8264.68, 0.00312036/step Wall: 8264.68, 0.00312036/step, 2.0877 hours remaining, 235.109375 MB of memory in use. ENERGY: 2591400 3965.6091 20573.7646 14564.5912 244.9126 -203321.4681 2497.9429 0.0000 0.0000 51688.6024 -109786.0453 297.0551 -161474.6477 -109431.4510 298.5057 45.5311 74.4643 760362.8793 -12.4703 -12.5026 PRESSURE: 2591600 306.867 72.822 130.572 72.8228 -16.665 12.0734 130.572 12.0734 275.203 GPRESSURE: 2591600 382.017 82.2902 66.6634 30.3237 48.4307 27.9552 225.676 164.604 215.225 PRESSAVG: 2591600 -66.3032 -18.0327 29.5779 -18.0327 63.9602 47.0123 29.5779 47.0123 0.539332 GPRESSAVG: 2591600 -65.0072 -17.8862 27.4936 -19.3249 62.5181 45.6701 28.5599 47.174 0.456885 TIMING: 2591600 CPU: 8265.31, 0.00311323/step Wall: 8265.31, 0.00311323/step, 2.08275 hours remaining, 235.109375 MB of memory in use. ENERGY: 2591600 3941.6105 20357.6459 14514.2317 241.6131 -203476.2471 2605.0100 0.0000 0.0000 51914.4363 -109901.6996 298.3530 -161816.1359 -109529.5585 298.2469 188.4685 215.2245 760591.5396 -0.6012 -0.6774 PRESSURE: 2591800 -354.117 42.4828 -84.0154 42.4833 -81.0366 -232.841 -84.0154 -232.839 -159.361 GPRESSURE: 2591800 -227.182 -47.9125 -125.133 161.888 -84.4937 -179.523 -119.378 -161.959 -189.339 PRESSAVG: 2591800 10.9819 -17.084 -48.1858 -17.0841 -4.15771 -26.4192 -48.1859 -26.4192 -20.9412 GPRESSAVG: 2591800 10.7315 -15.9469 -47.5804 -17.6013 -2.46403 -27.2893 -45.1994 -26.7845 -21.8558 TIMING: 2591800 CPU: 8265.93, 0.00312529/step Wall: 8265.93, 0.00312529/step, 2.09064 hours remaining, 235.109375 MB of memory in use. ENERGY: 2591800 4017.6967 20557.7859 14533.5804 257.6197 -203912.8608 2558.3812 0.0000 0.0000 51992.4201 -109995.3767 298.8012 -161987.7968 -109636.2441 297.8229 -198.1714 -167.0049 759198.9281 -4.7057 -4.5294 PRESSURE: 2592000 -141.535 -0.588408 168.328 -0.588676 -85.4047 7.36978 168.329 7.36965 -392.993 GPRESSURE: 2592000 -95.5757 32.7926 161.612 48.0896 -14.7858 26.4302 -32.3089 5.99366 -412.401 PRESSAVG: 2592000 -15.1037 3.44429 1.70305 3.44432 18.3548 27.479 1.70313 27.4789 10.7486 GPRESSAVG: 2592000 -16.3959 5.08426 1.66731 1.54096 18.5914 28.4339 -1.08921 26.2121 11.3263 TIMING: 2592000 CPU: 8266.56, 0.00314956/step Wall: 8266.56, 0.00314956/step, 2.10671 hours remaining, 235.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2592000 4009.5232 20410.8724 14512.0863 248.0709 -203455.3684 2385.7512 0.0000 0.0000 52044.4051 -109844.6592 299.0999 -161889.0643 -109483.6027 298.7382 -206.6444 -174.2542 760114.0347 4.6665 4.5073 PRESSURE: 2592200 122.373 18.6872 40.8316 18.6879 94.9228 179.114 40.8311 179.114 -92.293 GPRESSURE: 2592200 157.029 -49.1843 49.4968 7.33746 123.049 168.225 9.85495 303.578 -89.2001 PRESSAVG: 2592200 -32.6587 -59.8741 20.9355 -59.8741 36.9152 48.5752 20.9355 48.5752 -6.82763 GPRESSAVG: 2592200 -30.9268 -60.4718 21.1322 -58.1812 35.0384 48.8076 20.9882 50.2307 -7.04574 TIMING: 2592200 CPU: 8267.19, 0.00312734/step Wall: 8267.19, 0.00312734/step, 2.09167 hours remaining, 235.109375 MB of memory in use. ENERGY: 2592200 3956.2713 20419.6937 14510.5188 250.4167 -203744.2643 2682.6353 0.0000 0.0000 52002.8914 -109921.8370 298.8613 -161924.7284 -109557.3542 298.4151 41.6675 63.6260 759706.1189 -0.8570 -0.9780 LDB: ============= START OF LOAD BALANCING ============== 8279.61 LDB: ============== END OF LOAD BALANCING =============== 8279.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8279.61 LDB: ============= START OF LOAD BALANCING ============== 8279.92 LDB: Largest compute 7038 load 0.032245 is 16.5% of average load 0.195497 LDB: Average compute 0.004406 is 2.3% of average load 0.195497 LDB: TIME 8279.93 LOAD: AVG 0.195497 MAX 0.213798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.391 MB LDB: TIME 8279.93 LOAD: AVG 0.195497 MAX 0.213798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: TIME 8279.93 LOAD: AVG 0.195497 MAX 0.213798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: ============== END OF LOAD BALANCING =============== 8279.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8279.93 PRESSURE: 2592400 -174.858 24.4596 -56.6227 24.4584 81.1388 159.775 -56.6235 159.775 -10.9251 GPRESSURE: 2592400 -78.3249 -53.7498 -140.338 126.926 14.4969 107.515 -81.1457 156.542 35.5942 PRESSAVG: 2592400 49.5812 -27.5285 25.2787 -27.5285 9.10419 12.3728 25.2786 12.3728 18.037 GPRESSAVG: 2592400 47.7427 -31.2789 26.3455 -25.8402 9.88289 11.195 26.4541 11.0415 19.0353 TIMING: 2592400 CPU: 8267.83, 0.00320269/step Wall: 8267.83, 0.00320269/step, 2.14189 hours remaining, 234.128906 MB of memory in use. ENERGY: 2592400 3974.6092 20456.4831 14533.1750 256.2677 -203413.0311 2464.7876 0.0000 0.0000 52041.5105 -109686.1979 299.0833 -161727.7084 -109322.7051 298.4033 -34.8816 -9.4113 761484.3184 25.5741 25.5536 PRESSURE: 2592600 237.499 93.7602 -154.497 93.7599 -7.92863 96.09 -154.497 96.0898 459.909 GPRESSURE: 2592600 240.487 66.8234 -145.404 88.5163 100.94 205.248 -86.0393 55.2498 438.21 PRESSAVG: 2592600 9.97528 10.7322 33.135 10.7323 26.4664 26.3117 33.135 26.3117 -17.8067 GPRESSAVG: 2592600 10.2189 13.1193 32.1224 7.66792 26.6159 27.5691 31.9621 26.2616 -18.2168 TIMING: 2592600 CPU: 8268.45, 0.00313224/step Wall: 8268.45, 0.00313224/step, 2.0946 hours remaining, 234.253906 MB of memory in use. ENERGY: 2592600 3948.6873 20502.6538 14521.0444 232.9470 -203533.5632 2643.3760 0.0000 0.0000 51881.4487 -109803.4062 298.1634 -161684.8548 -109448.1853 298.3234 229.8265 259.8792 759790.2102 6.2116 6.2060 PRESSURE: 2592800 59.8657 -125.919 -167.993 -125.92 61.0276 -36.9022 -167.993 -36.9009 41.6863 GPRESSURE: 2592800 72.1574 -130.9 -83.8018 -135.08 106.106 36.0707 -45.1318 -72.4832 54.9482 PRESSAVG: 2592800 -5.91368 -34.5991 38.8854 -34.5992 32.3602 43.0789 38.8854 43.0788 11.8559 GPRESSAVG: 2592800 -5.60955 -34.8444 40.5227 -33.5793 32.8548 42.8804 38.5962 43.502 11.9452 TIMING: 2592800 CPU: 8269.08, 0.00313543/step Wall: 8269.08, 0.00313543/step, 2.09655 hours remaining, 234.253906 MB of memory in use. ENERGY: 2592800 3965.4434 20363.7633 14541.2486 249.7878 -203741.6001 2796.9578 0.0000 0.0000 52128.9339 -109695.4653 299.5857 -161824.3991 -109329.8853 298.6426 54.1932 77.7371 761000.8135 12.7675 13.0635 PRESSURE: 2593000 -43.7962 -235.203 40.7935 -235.203 -61.5796 91.9461 40.7941 91.9464 219.312 GPRESSURE: 2593000 -59.2757 -253.627 82.0864 -124.385 18.7675 87.2746 17.7671 95.2317 246.359 PRESSAVG: 2593000 10.759 5.19034 48.5254 5.19037 -18.1525 17.6045 48.5254 17.6045 -14.4115 GPRESSAVG: 2593000 10.5476 4.48525 48.3708 6.73024 -17.5992 17.5411 49.6492 16.4265 -14.3459 TIMING: 2593000 CPU: 8269.71, 0.00313127/step Wall: 8269.71, 0.00313127/step, 2.0936 hours remaining, 234.253906 MB of memory in use. ENERGY: 2593000 4090.0908 20378.6866 14507.7769 252.6222 -203755.6300 2814.0517 0.0000 0.0000 52175.5982 -109536.8036 299.8539 -161712.4019 -109169.2730 299.0428 37.9788 68.6169 761703.7236 -7.2683 -7.1325 PRESSURE: 2593200 -196.409 -27.3644 1.16611 -27.3638 150.578 -36.4192 1.1664 -36.4174 -136.285 GPRESSURE: 2593200 -97.6734 8.98177 -61.9354 26.3512 122.158 -217.376 21.8437 -127.882 -129.368 PRESSAVG: 2593200 -15.5135 -91.6437 -54.1393 -91.6438 13.4068 23.6539 -54.1392 23.6539 -12.1408 GPRESSAVG: 2593200 -14.6332 -90.6433 -54.6069 -92.9192 11.8778 22.0111 -54.1331 27.7453 -11.5662 TIMING: 2593200 CPU: 8270.34, 0.00314629/step Wall: 8270.34, 0.00314629/step, 2.10347 hours remaining, 234.253906 MB of memory in use. ENERGY: 2593200 3990.0086 20571.6735 14470.1069 238.8763 -202791.2326 2070.5248 0.0000 0.0000 52201.9549 -109248.0876 300.0054 -161450.0425 -108881.4726 299.4151 -60.7056 -34.9610 761570.9017 -4.7492 -4.7739 PRESSURE: 2593400 -225.103 -208.393 2.35445 -208.393 -189.247 62.975 2.35432 62.9771 -83.4402 GPRESSURE: 2593400 -192.632 -90.858 5.47272 -282.543 -154.993 31.8687 -7.34282 -13.7408 -66.8905 PRESSAVG: 2593400 -1.35092 -55.1392 40.9603 -55.1392 -16.056 2.5079 40.9603 2.50789 3.16811 GPRESSAVG: 2593400 -1.38492 -55.6044 41.4575 -54.7882 -15.549 3.61507 38.3848 0.978427 2.77358 TIMING: 2593400 CPU: 8270.96, 0.00310587/step Wall: 8270.96, 0.00310587/step, 2.07627 hours remaining, 234.253906 MB of memory in use. ENERGY: 2593400 3955.6697 20681.5204 14501.0687 245.7200 -203050.1982 2253.1252 0.0000 0.0000 52100.0905 -109313.0037 299.4199 -161413.0942 -108947.2663 300.1649 -165.9301 -138.1717 761269.7661 -4.7463 -4.7201 PRESSURE: 2593600 -131.464 100.946 -79.5394 100.947 -82.7262 108.205 -79.5397 108.206 145.106 GPRESSURE: 2593600 -7.69915 28.2541 -63.5886 115.769 -120.051 217.349 -64.0327 -45.4559 140.619 PRESSAVG: 2593600 40.4797 -33.3012 0.889248 -33.3011 -14.4998 -10.4288 0.889297 -10.4288 -5.95363 GPRESSAVG: 2593600 39.851 -32.2519 1.35176 -34.1423 -12.5953 -10.5791 0.627406 -11.0724 -7.08578 TIMING: 2593600 CPU: 8271.58, 0.00312777/step Wall: 8271.58, 0.00312777/step, 2.09074 hours remaining, 234.253906 MB of memory in use. ENERGY: 2593600 3939.3200 20548.6221 14488.7059 238.2879 -203152.5598 2392.5396 0.0000 0.0000 52081.4798 -109463.6046 299.3130 -161545.0843 -109099.7934 299.7878 -23.0279 4.2896 761528.2016 6.6754 6.7233 PRESSURE: 2593800 81.9644 188.699 44.1568 188.7 101.112 50.0004 44.1561 50.0003 -41.274 GPRESSURE: 2593800 131.411 163.401 69.3408 224.703 80.7269 -24.6092 40.8383 -12.3881 16.5021 PRESSAVG: 2593800 -12.6727 7.89172 -7.87651 7.89171 -59.9208 0.601047 -7.87652 0.601047 -0.978819 GPRESSAVG: 2593800 -12.5018 6.4215 -10.1044 8.22116 -61.3247 -1.38484 -6.31989 0.674026 0.405181 TIMING: 2593800 CPU: 8272.21, 0.00312765/step Wall: 8272.21, 0.00312765/step, 2.09048 hours remaining, 234.269531 MB of memory in use. ENERGY: 2593800 3975.4233 20356.6959 14440.3580 239.3329 -203609.6684 2716.1020 0.0000 0.0000 52342.9849 -109538.7715 300.8159 -161881.7564 -109173.1159 299.6329 47.2673 76.2134 760929.4024 -24.5241 -24.4738 PRESSURE: 2594000 119.214 127.108 186.699 127.108 -144.78 88.6961 186.698 88.6952 252.371 GPRESSURE: 2594000 198.616 83.2499 228.803 73.9719 -164.92 15.7053 170.63 122.067 276.166 PRESSAVG: 2594000 36.2858 -33.2063 -34.973 -33.2064 -27.1866 35.0581 -34.973 35.0581 20.7663 GPRESSAVG: 2594000 35.2788 -34.1686 -32.6093 -33.5553 -25.5846 37.3401 -34.6452 35.6328 19.585 TIMING: 2594000 CPU: 8272.83, 0.0031214/step Wall: 8272.83, 0.0031214/step, 2.08614 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2594000 4060.1364 20414.1525 14456.5821 262.2016 -203548.3755 2687.8183 0.0000 0.0000 52129.8518 -109537.6329 299.5910 -161667.4847 -109178.6415 299.1838 75.6014 103.2873 762215.1576 9.9551 9.7597 PRESSURE: 2594200 69.1845 -12.5912 -107.319 -12.5914 -352.653 -121.344 -107.318 -121.345 -231.851 GPRESSURE: 2594200 96.3415 -59.0685 -149.027 104.557 -272.37 -138.833 -116.362 -128.603 -246.593 PRESSAVG: 2594200 25.3928 0.174555 1.14075 0.174633 -8.60344 -14.8676 1.14074 -14.8676 -10.5654 GPRESSAVG: 2594200 24.7342 1.1017 -1.06851 1.36692 -8.25011 -14.4311 2.76093 -14.9186 -10.0726 TIMING: 2594200 CPU: 8273.46, 0.00313793/step Wall: 8273.46, 0.00313793/step, 2.09701 hours remaining, 234.269531 MB of memory in use. ENERGY: 2594200 3936.0580 20455.7500 14486.2694 226.8075 -203262.9780 2430.2712 0.0000 0.0000 52040.4332 -109687.3887 299.0771 -161727.8220 -109316.8923 298.5557 -171.7730 -140.8738 760864.1145 2.0746 2.1372 PRESSURE: 2594400 -148.233 -29.1904 54.1827 -29.1906 -216.585 28.9109 54.1828 28.9124 117.836 GPRESSURE: 2594400 -57.2938 -52.5676 -24.6249 -74.2025 -186.579 48.3964 -44.6755 -58.4756 74.0888 PRESSAVG: 2594400 -21.3868 -11.0808 -8.358 -11.0808 -19.517 19.7575 -8.35793 19.7576 8.23313 GPRESSAVG: 2594400 -20.5155 -12.3348 -8.76204 -10.0595 -20.5234 19.5744 -9.47951 18.8187 8.06274 TIMING: 2594400 CPU: 8274.08, 0.00312217/step Wall: 8274.08, 0.00312217/step, 2.0863 hours remaining, 234.269531 MB of memory in use. ENERGY: 2594400 4059.6766 20591.7661 14431.2952 255.3445 -203283.5704 2301.6007 0.0000 0.0000 52080.4301 -109563.4572 299.3069 -161643.8873 -109196.0574 299.0090 -82.3271 -56.5948 761384.1598 -10.8902 -10.9921 PRESSURE: 2594600 -87.2339 65.8719 -210.797 65.8726 -197.182 198.032 -210.798 198.031 -196.881 GPRESSURE: 2594600 -10.682 156.451 -247.243 77.7266 -179.901 153.895 -32.9392 255.858 -228.04 PRESSAVG: 2594600 26.1819 14.0226 -28.6834 14.0226 -45.2274 -56.0942 -28.6833 -56.0942 -15.3578 GPRESSAVG: 2594600 26.0928 17.1016 -26.9392 10.8594 -45.3592 -55.2385 -29.6931 -55.055 -14.995 TIMING: 2594600 CPU: 8274.71, 0.00310563/step Wall: 8274.71, 0.00310563/step, 2.07508 hours remaining, 234.269531 MB of memory in use. ENERGY: 2594600 3942.2294 20489.7445 14505.1940 243.6411 -203706.5495 2715.6165 0.0000 0.0000 52142.9954 -109667.1286 299.6665 -161810.1240 -109299.1506 298.8009 -160.4323 -139.5410 761879.6308 -11.4677 -11.4205 PRESSURE: 2594800 106.449 167.799 -125.269 167.8 -95.6922 -201.364 -125.269 -201.364 302.188 GPRESSURE: 2594800 195.765 134.513 -106.245 148.791 2.26655 -225.009 -127.833 -115.888 206.817 PRESSAVG: 2594800 10.1867 22.701 64.0138 22.701 -36.2946 -5.21601 64.0137 -5.21598 -13.6233 GPRESSAVG: 2594800 10.7289 20.78 65.1462 24.2562 -35.7533 -6.59684 63.9399 -6.08789 -14.2337 TIMING: 2594800 CPU: 8275.33, 0.00310372/step Wall: 8275.33, 0.00310372/step, 2.07363 hours remaining, 234.269531 MB of memory in use. ENERGY: 2594800 3994.8970 20565.3865 14508.6704 250.8467 -203590.8271 2634.1393 0.0000 0.0000 51942.5135 -109694.3738 298.5143 -161636.8873 -109344.1790 298.3676 104.3151 134.9497 760997.1595 -13.2437 -13.0860 PRESSURE: 2595000 231.737 64.379 -46.251 64.3798 18.9574 -15.9789 -46.2503 -15.9789 34.6344 GPRESSURE: 2595000 271.878 96.5463 29.7946 -1.11764 -3.46036 32.7148 20.0524 -178.621 95.4079 PRESSAVG: 2595000 50.3694 -25.3499 -0.203379 -25.3498 -26.1089 -60.3961 -0.203375 -60.3961 -16.3515 GPRESSAVG: 2595000 51.4043 -23.9524 -1.12704 -24.8274 -26.7596 -60.3874 1.97957 -60.6249 -16.7082 TIMING: 2595000 CPU: 8275.95, 0.00311986/step Wall: 8275.95, 0.00311986/step, 2.08424 hours remaining, 234.269531 MB of memory in use. ENERGY: 2595000 3927.5213 20548.5918 14549.7020 249.0372 -203569.0478 2714.0092 0.0000 0.0000 51940.6607 -109639.5256 298.5037 -161580.1863 -109282.1307 298.6490 95.1096 121.2750 761574.5519 2.6363 2.6455 PRESSURE: 2595200 -60.1027 79.5867 -177.931 79.5859 156.425 -123.929 -177.932 -123.93 -10.3919 GPRESSURE: 2595200 -39.9511 37.8716 -139.23 3.02626 212.868 -76.2918 -152.019 -36.8087 5.3276 PRESSAVG: 2595200 -8.04657 -33.7596 -15.8134 -33.7596 -52.4932 -56.5323 -15.8134 -56.5323 16.2601 GPRESSAVG: 2595200 -9.43514 -34.3803 -16.53 -34.1549 -51.581 -55.0678 -15.7124 -57.0754 16.021 TIMING: 2595200 CPU: 8276.58, 0.00312939/step Wall: 8276.58, 0.00312939/step, 2.09043 hours remaining, 234.269531 MB of memory in use. ENERGY: 2595200 3989.4237 20401.8216 14560.7630 249.0933 -203917.9237 2730.9599 0.0000 0.0000 52281.4860 -109704.3761 300.4624 -161985.8621 -109337.8676 298.8429 28.6433 59.4147 760011.2296 -14.7599 -14.9984 PRESSURE: 2595400 60.1744 -73.8432 136.884 -73.8439 -56.3918 -70.5443 136.883 -70.5429 -507.656 GPRESSURE: 2595400 144.98 -103.104 187.55 -86.3537 -69.4944 -123.399 93.9324 -143.115 -498.061 PRESSAVG: 2595400 19.1042 -49.6145 5.37245 -49.6145 -34.9418 -4.16902 5.37242 -4.16896 -9.82025 GPRESSAVG: 2595400 19.4197 -49.8209 6.13773 -48.6506 -35.8429 -4.99072 4.30794 -3.24633 -9.39574 TIMING: 2595400 CPU: 8277.2, 0.00312084/step Wall: 8277.2, 0.00312084/step, 2.08455 hours remaining, 234.269531 MB of memory in use. ENERGY: 2595400 4067.1493 20424.3753 14485.0475 227.4802 -203490.3324 2434.1141 0.0000 0.0000 52189.4980 -109662.6680 299.9338 -161852.1660 -109296.3247 299.4123 -167.9580 -140.8587 760438.8097 -8.5526 -8.6063 PRESSURE: 2595600 112.837 -68.2577 -66.2605 -68.258 106.643 173.978 -66.2611 173.978 402.141 GPRESSURE: 2595600 92.3424 -39.8755 -56.5953 -44.2565 79.2676 161.38 -89.554 123.456 517.754 PRESSAVG: 2595600 45.0379 -10.0825 -8.19202 -10.0825 -12.6349 -65.1602 -8.19206 -65.1602 10.6203 GPRESSAVG: 2595600 44.7892 -10.2122 -6.91315 -9.84746 -12.7837 -64.3486 -8.90336 -67.476 10.5547 TIMING: 2595600 CPU: 8277.83, 0.00312391/step Wall: 8277.83, 0.00312391/step, 2.08643 hours remaining, 234.269531 MB of memory in use. ENERGY: 2595600 4031.8492 20572.3384 14469.6598 239.1387 -203426.2839 2653.6276 0.0000 0.0000 51705.7259 -109753.9443 297.1535 -161459.6702 -109399.1215 299.3547 207.2067 229.7880 759709.5696 14.3411 14.1868 PRESSURE: 2595800 -436.93 164.039 -127.857 164.039 -218.756 117.45 -127.856 117.45 -277.517 GPRESSURE: 2595800 -409.256 116.557 -149.495 132.062 -142.458 187.406 0.195391 159.279 -299.611 PRESSAVG: 2595800 -32.5395 -41.4166 -43.546 -41.4166 6.55859 -26.0057 -43.546 -26.0058 9.72691 GPRESSAVG: 2595800 -33.6854 -42.5371 -43.901 -42.9011 7.57037 -27.1445 -43.8781 -26.2731 9.84662 TIMING: 2595800 CPU: 8278.45, 0.00310758/step Wall: 8278.45, 0.00310758/step, 2.07535 hours remaining, 234.269531 MB of memory in use. ENERGY: 2595800 3996.5560 20414.1202 14482.7775 247.4170 -203324.2356 2544.3848 0.0000 0.0000 52003.6634 -109635.3167 298.8658 -161638.9801 -109275.2224 298.8559 -311.0679 -283.7751 760894.5241 -5.4180 -5.4228 PRESSURE: 2596000 -337.824 -111.847 113.605 -111.847 -82.6813 72.1972 113.605 72.1976 83.4914 GPRESSURE: 2596000 -329.324 -100.87 117.847 -197.626 -46.0543 10.4189 112.52 76.5952 121.525 PRESSAVG: 2596000 -34.0333 -53.7601 41.1333 -53.7601 30.6575 16.7462 41.1333 16.7461 8.36974 GPRESSAVG: 2596000 -31.7122 -52.8732 40.0227 -54.5899 29.6115 15.9012 43.2383 18.7451 7.11552 TIMING: 2596000 CPU: 8279.07, 0.00311279/step Wall: 8279.07, 0.00311279/step, 2.07865 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2596000 4031.8217 20458.0455 14540.5456 235.8985 -203577.9833 2375.5080 0.0000 0.0000 52173.6225 -109762.5415 299.8425 -161936.1639 -109397.9372 299.6394 -112.3378 -84.6177 760498.3204 1.6647 1.6716 PRESSURE: 2596200 152.846 150.222 -41.8818 150.223 -28.9196 -209.179 -41.8814 -209.179 -105.075 GPRESSURE: 2596200 149.576 144.368 -12.2202 172.112 103.534 -237.296 -12.4724 -194.796 -118.713 PRESSAVG: 2596200 -27.7343 -37.6066 9.36888 -37.6066 40.0975 -45.2001 9.36883 -45.2001 9.43889 GPRESSAVG: 2596200 -27.8871 -37.2218 9.92304 -35.3899 40.4257 -44.757 8.14468 -44.4488 9.43924 TIMING: 2596200 CPU: 8279.7, 0.00314026/step Wall: 8279.7, 0.00314026/step, 2.09682 hours remaining, 234.269531 MB of memory in use. ENERGY: 2596200 3937.1382 20498.4311 14496.2104 229.4367 -203618.6935 2737.7835 0.0000 0.0000 52099.1078 -109620.5859 299.4143 -161719.6937 -109253.3125 298.9020 6.2840 44.7989 759508.8499 7.2673 7.3259 LDB: ============= START OF LOAD BALANCING ============== 8292.12 LDB: ============== END OF LOAD BALANCING =============== 8292.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8292.12 LDB: ============= START OF LOAD BALANCING ============== 8292.43 LDB: Largest compute 7031 load 0.034882 is 17.8% of average load 0.195417 LDB: Average compute 0.004425 is 2.3% of average load 0.195417 LDB: TIME 8292.44 LOAD: AVG 0.195417 MAX 0.213932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.414 MB LDB: TIME 8292.44 LOAD: AVG 0.195417 MAX 0.213932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: TIME 8292.44 LOAD: AVG 0.195417 MAX 0.213932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: ============== END OF LOAD BALANCING =============== 8292.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8292.44 PRESSURE: 2596400 -163.211 -67.9297 74.0017 -67.9293 -304.737 27.7222 74.0014 27.722 -256.329 GPRESSURE: 2596400 -126.706 -125.577 136.128 125.639 -216.45 -39.8213 -68.6534 -9.74497 -300.991 PRESSAVG: 2596400 22.645 -2.95552 4.68154 -2.95548 0.8255 -44.7485 4.68155 -44.7484 -3.38969 GPRESSAVG: 2596400 22.9618 -2.15177 5.59633 -3.5689 0.732033 -45.9357 4.60557 -44.7074 -3.63757 TIMING: 2596400 CPU: 8280.34, 0.00320287/step Wall: 8280.34, 0.00320287/step, 2.13845 hours remaining, 233.101562 MB of memory in use. ENERGY: 2596400 3980.6662 20535.6280 14449.2738 255.3105 -203307.8429 2427.1757 0.0000 0.0000 51841.3647 -109818.4240 297.9330 -161659.7887 -109459.7200 298.4438 -241.4256 -214.7156 761011.9996 6.6936 6.6854 PRESSURE: 2596600 176.555 236.997 -97.0805 236.998 159.402 -90.0518 -97.0805 -90.0514 77.7485 GPRESSURE: 2596600 205.065 255.406 9.9742 168.456 194.302 -147.74 -63.1489 -87.5474 112.792 PRESSAVG: 2596600 1.73079 -30.6284 2.55383 -30.6284 26.125 -59.0174 2.55385 -59.0174 -0.0391344 GPRESSAVG: 2596600 1.27698 -28.0885 2.73758 -32.0189 25.7522 -56.604 -0.192698 -61.883 1.21505 TIMING: 2596600 CPU: 8280.97, 0.00314347/step Wall: 8280.97, 0.00314347/step, 2.09862 hours remaining, 233.101562 MB of memory in use. ENERGY: 2596600 3932.8192 20399.6446 14506.8653 241.2427 -203691.5054 2648.7733 0.0000 0.0000 51913.6750 -110048.4853 298.3486 -161962.1602 -109679.4795 298.0720 137.9018 170.7193 760517.2586 9.2722 9.4147 PRESSURE: 2596800 191.881 27.9393 -101.308 27.9392 -366.81 181.112 -101.309 181.112 -376.098 GPRESSURE: 2596800 106.875 124.102 -67.0949 -19.0561 -275.363 264.52 97.514 137.826 -309.91 PRESSAVG: 2596800 15.6535 -7.16665 2.17918 -7.16661 2.93059 11.1386 2.17919 11.1387 12.3246 GPRESSAVG: 2596800 15.2433 -9.98636 2.65417 -7.29866 3.7243 8.96232 4.98832 15.2013 12.6424 TIMING: 2596800 CPU: 8281.59, 0.0031282/step Wall: 8281.59, 0.0031282/step, 2.08824 hours remaining, 233.101562 MB of memory in use. ENERGY: 2596800 4009.8751 20556.5833 14433.2808 256.2831 -203428.8307 2407.4618 0.0000 0.0000 51830.9627 -109934.3839 297.8733 -161765.3466 -109562.0222 298.1549 -183.6755 -159.4662 760230.3493 10.3029 10.5366 PRESSURE: 2597000 -358.114 145.875 223.558 145.876 81.74 -83.3553 223.558 -83.3558 154.674 GPRESSURE: 2597000 -260.429 197.739 206.903 169.822 117.777 -57.3694 315.003 44.414 102.852 PRESSAVG: 2597000 44.2637 21.876 -18.3002 21.876 -9.68742 24.5597 -18.3002 24.5597 -7.41322 GPRESSAVG: 2597000 44.074 23.095 -18.6813 23.4176 -8.70747 24.1866 -19.36 23.3637 -8.82745 TIMING: 2597000 CPU: 8282.22, 0.00312883/step Wall: 8282.22, 0.00312883/step, 2.0885 hours remaining, 233.101562 MB of memory in use. ENERGY: 2597000 4063.9881 20492.2281 14488.7627 265.4120 -203293.4461 2425.4283 0.0000 0.0000 51888.2036 -109669.4234 298.2022 -161557.6270 -109310.9902 298.2346 -40.5665 -13.2666 760347.7783 9.0543 8.8464 PRESSURE: 2597200 215.501 -156.029 68.3725 -156.029 393.641 -40.4696 68.3716 -40.4694 380.509 GPRESSURE: 2597200 315.661 -244.876 105.11 -197.21 331.819 -11.0234 -43.3182 -21.7811 431.127 PRESSAVG: 2597200 17.0997 42.0011 11.7823 42.0012 12.5782 -22.8168 11.7823 -22.8168 3.178 GPRESSAVG: 2597200 18.2373 41.7851 10.476 42.1392 10.2881 -22.4053 14.1748 -24.4189 4.22759 TIMING: 2597200 CPU: 8282.84, 0.00313419/step Wall: 8282.84, 0.00313419/step, 2.0919 hours remaining, 233.101562 MB of memory in use. ENERGY: 2597200 3968.5106 20210.5470 14486.0776 269.8099 -203297.0523 2609.5829 0.0000 0.0000 52073.7762 -109678.7480 299.2687 -161752.5242 -109306.7418 298.6180 329.8834 359.5359 759788.5279 10.9520 10.9177 PRESSURE: 2597400 199.997 31.1321 8.09937 31.1322 52.7186 166.026 8.09998 166.028 345.715 GPRESSURE: 2597400 135.822 -89.2839 90.6423 159.415 138.561 142.396 10.9607 243.14 405.337 PRESSAVG: 2597400 -23.1829 11.3156 10.8775 11.3156 22.2797 35.5736 10.8775 35.5736 -6.39709 GPRESSAVG: 2597400 -24.4345 9.78032 9.61264 11.9489 23.5983 36.6516 11.1232 35.9059 -6.77089 TIMING: 2597400 CPU: 8283.47, 0.00314476/step Wall: 8283.47, 0.00314476/step, 2.09878 hours remaining, 233.101562 MB of memory in use. ENERGY: 2597400 3981.5769 20464.1061 14518.4075 241.3338 -203340.9454 2568.3949 0.0000 0.0000 52015.4177 -109551.7086 298.9333 -161567.1263 -109201.2109 298.5254 199.4770 226.5732 760823.9491 -2.4334 -2.5357 PRESSURE: 2597600 296.59 188.853 98.3745 188.853 192.72 25.0556 98.3745 25.0556 12.6276 GPRESSURE: 2597600 284.796 226.492 71.3731 100.651 181.426 5.75255 105.632 74.0338 139.208 PRESSAVG: 2597600 -40.8668 17.8798 15.3668 17.8798 14.4129 0.285217 15.3668 0.285153 7.07325 GPRESSAVG: 2597600 -40.3306 18.9772 16.7533 17.5883 14.1907 0.364415 14.3239 0.0632698 6.94462 TIMING: 2597600 CPU: 8284.1, 0.00315189/step Wall: 8284.1, 0.00315189/step, 2.10336 hours remaining, 233.101562 MB of memory in use. ENERGY: 2597600 3957.2923 20226.4783 14475.4621 268.3569 -203604.0338 2824.0109 0.0000 0.0000 52225.0422 -109627.3912 300.1380 -161852.4334 -109257.7756 299.0530 167.3127 201.8103 762086.0324 -6.4602 -6.3984 PRESSURE: 2597800 -230.902 35.063 83.2446 35.0627 -478.43 -18.6117 83.2448 -18.6133 145.553 GPRESSURE: 2597800 -204.167 33.9849 83.2907 96.375 -407.635 -19.7213 71.9115 -17.094 106.909 PRESSAVG: 2597800 27.8032 44.7813 51.951 44.7813 18.2623 -6.99125 51.9509 -6.99123 -0.292136 GPRESSAVG: 2597800 27.7983 45.9099 50.5205 44.8716 18.8454 -8.11038 50.0683 -6.57394 -0.889215 TIMING: 2597800 CPU: 8284.73, 0.00314402/step Wall: 8284.73, 0.00314402/step, 2.09794 hours remaining, 233.101562 MB of memory in use. ENERGY: 2597800 3975.1120 20350.1050 14496.2463 234.1389 -203581.4237 2530.1995 0.0000 0.0000 52195.1593 -109800.4626 299.9663 -161995.6219 -109425.3011 298.8313 -187.9262 -168.2977 763769.3146 15.2578 15.2515 PRESSURE: 2598000 -279.352 52.5331 -177.912 52.5346 -15.0861 -221.456 -177.912 -221.456 -495.566 GPRESSURE: 2598000 -235.079 49.5438 -185.453 12.5924 54.5578 -312.919 -206.874 -58.0953 -529.89 PRESSAVG: 2598000 6.17218 14.7169 11.8431 14.7169 -12.4179 18.8808 11.8431 18.8807 13.1136 GPRESSAVG: 2598000 4.79701 13.9799 13.4501 15.8876 -11.5874 18.6467 12.1503 18.6671 14.1733 TIMING: 2598000 CPU: 8285.36, 0.00313633/step Wall: 8285.36, 0.00313633/step, 2.09263 hours remaining, 233.101562 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: 2598000 3971.6233 20515.2651 14502.4214 262.6369 -203725.2754 2667.4300 0.0000 0.0000 52040.8116 -109765.0871 299.0793 -161805.8987 -109407.6742 298.5989 -263.3348 -236.8037 761882.0168 2.2893 2.4610 PRESSURE: 2598200 323.397 -175.35 -0.150529 -175.351 -104.104 -63.0458 -0.150599 -63.0456 -276.025 GPRESSURE: 2598200 254.304 -171.255 28.452 -284.329 -48.9687 59.7519 50.2587 -60.2829 -186.913 PRESSAVG: 2598200 30.936 -31.6193 -17.122 -31.6192 -33.7327 -7.63473 -17.1221 -7.63481 15.9693 GPRESSAVG: 2598200 32.5956 -34.5052 -18.6998 -31.3596 -35.8085 -7.50433 -16.0839 -6.50412 16.2525 TIMING: 2598200 CPU: 8285.99, 0.00312807/step Wall: 8285.99, 0.00312807/step, 2.08694 hours remaining, 233.101562 MB of memory in use. ENERGY: 2598200 3979.0529 20570.8605 14512.4474 236.9012 -204103.5278 3165.1812 0.0000 0.0000 51785.2798 -109853.8048 297.6107 -161639.0845 -109498.2923 298.3329 -18.9109 6.1408 760182.5171 4.3909 4.3465 PRESSURE: 2598400 100.993 164.732 85.7128 164.732 144.902 -18.8748 85.7131 -18.8749 -27.472 GPRESSURE: 2598400 145.452 221.085 68.7086 153.373 95.9866 45.8011 83.4084 -31.2676 60.8671 PRESSAVG: 2598400 55.5596 -53.9676 7.62957 -53.9677 -22.0186 -0.154819 7.62959 -0.154792 19.2657 GPRESSAVG: 2598400 53.9313 -51.0421 8.56696 -57.6038 -20.3504 2.47074 6.47168 -3.38795 19.3229 TIMING: 2598400 CPU: 8286.61, 0.00313438/step Wall: 8286.61, 0.00313438/step, 2.09098 hours remaining, 233.101562 MB of memory in use. ENERGY: 2598400 4002.2715 20549.8171 14491.5416 233.3207 -203637.6615 2749.0730 0.0000 0.0000 52092.9814 -109518.6563 299.3791 -161611.6377 -109158.5695 298.7336 72.8078 100.7685 759695.7930 17.6022 17.6346 PRESSURE: 2598600 293.34 -242.163 -233.533 -242.162 -41.3773 13.4029 -233.533 13.4032 55.5214 GPRESSURE: 2598600 352.608 -185.782 -195.238 -331.068 1.98679 -50.4535 -138.182 115.075 39.8221 PRESSAVG: 2598600 39.6825 -51.2784 36.6824 -51.2783 -10.1512 -52.173 36.6824 -52.1729 2.10193 GPRESSAVG: 2598600 40.3012 -50.8738 37.5183 -50.494 -9.99899 -53.8973 35.8824 -50.962 1.24547 TIMING: 2598600 CPU: 8287.23, 0.00310861/step Wall: 8287.23, 0.00310861/step, 2.07361 hours remaining, 233.101562 MB of memory in use. ENERGY: 2598600 3973.2791 20526.6670 14474.1836 230.7411 -203557.4408 2807.7860 0.0000 0.0000 51999.4615 -109545.3225 298.8416 -161544.7840 -109185.9722 298.5098 102.4949 131.4721 762146.4432 10.5444 10.5159 PRESSURE: 2598800 -318.105 -68.5457 -219.431 -68.5466 -242.943 -284.271 -219.431 -284.271 148.13 GPRESSURE: 2598800 -233.702 -112.544 -142.553 -54.949 -146.987 -279.894 -197.026 -105.201 73.0565 PRESSAVG: 2598800 -6.38925 -53.5851 28.8847 -53.5851 -10.4896 33.8421 28.8847 33.8422 17.2727 GPRESSAVG: 2598800 -5.26981 -54.5112 30.6407 -52.5625 -10.4799 33.7026 30.0445 34.8684 16.3903 TIMING: 2598800 CPU: 8287.86, 0.00311901/step Wall: 8287.86, 0.00311901/step, 2.08038 hours remaining, 233.101562 MB of memory in use. ENERGY: 2598800 4012.3035 20482.0780 14491.5368 264.7646 -203256.4411 2483.9908 0.0000 0.0000 51976.2644 -109545.5031 298.7083 -161521.7675 -109179.2973 298.5646 -137.6391 -102.5441 762719.5149 0.1313 0.2135 PRESSURE: 2599000 -142.723 132.238 78.6113 132.238 -25.0398 258.098 78.61 258.099 -14.4108 GPRESSURE: 2599000 -105.686 -60.995 121.352 189.54 -1.92864 226.633 74.7209 299.33 22.2873 PRESSAVG: 2599000 -26.8253 -3.22099 -34.5591 -3.22098 8.76357 -20.5065 -34.559 -20.5065 11.8628 GPRESSAVG: 2599000 -27.1077 -4.50212 -38.2424 -2.85023 7.89513 -22.165 -33.3945 -19.3441 13.8707 TIMING: 2599000 CPU: 8288.48, 0.00312225/step Wall: 8288.48, 0.00312225/step, 2.08237 hours remaining, 233.101562 MB of memory in use. ENERGY: 2599000 4019.6849 20526.0111 14416.6006 236.3440 -203296.2140 2522.4415 0.0000 0.0000 52044.4271 -109530.7048 299.1000 -161575.1319 -109164.0112 298.8110 -60.7247 -28.4424 761514.1952 -2.0663 -1.7806 PRESSURE: 2599200 127.518 -40.2836 18.4268 -40.2834 -54.645 -179.471 18.4262 -179.472 -202.779 GPRESSURE: 2599200 180.728 39.8972 -37.0257 -100.349 8.29174 -75.2783 -65.4243 -235.054 -216.169 PRESSAVG: 2599200 21.5783 30.7806 -45.967 30.7807 7.52678 -7.56616 -45.967 -7.56627 -5.33448 GPRESSAVG: 2599200 21.7835 32.5997 -44.8538 31.0459 8.65569 -4.99495 -47.4302 -10.639 -7.22184 TIMING: 2599200 CPU: 8289.11, 0.00312497/step Wall: 8289.11, 0.00312497/step, 2.08401 hours remaining, 233.101562 MB of memory in use. ENERGY: 2599200 3913.5597 20400.9512 14490.6295 255.1075 -203487.4558 2616.2972 0.0000 0.0000 52286.6610 -109524.2496 300.4922 -161810.9106 -109153.9623 299.0424 -43.3019 -9.0500 762359.9954 7.9235 7.7391 PRESSURE: 2599400 -4.08254 -141.235 -115.944 -141.236 -103.266 -94.9139 -115.944 -94.914 219.415 GPRESSURE: 2599400 -72.0586 -122.134 -58.2879 -103.672 -7.682 -153.105 -190.917 -46.0578 278.393 PRESSAVG: 2599400 -39.6163 9.36711 -42.7686 9.36708 11.902 -8.25961 -42.7686 -8.25957 17.8791 GPRESSAVG: 2599400 -39.4521 8.29916 -42.1579 9.38705 10.6633 -7.97422 -44.5405 -7.5335 18.5889 TIMING: 2599400 CPU: 8289.73, 0.00312187/step Wall: 8289.73, 0.00312187/step, 2.08177 hours remaining, 233.101562 MB of memory in use. ENERGY: 2599400 4002.8823 20569.9439 14518.0520 251.6266 -203462.9250 2627.7831 0.0000 0.0000 52075.4077 -109417.2294 299.2781 -161492.6371 -109053.0746 299.4898 37.3555 66.2176 762422.3061 -3.2784 -3.4000 PRESSURE: 2599600 118.136 114.604 -11.2509 114.603 -62.8259 133.266 -11.2504 133.267 -32.8066 GPRESSURE: 2599600 46.6983 148.068 -75.1019 81.6066 51.1687 104.185 84.9113 100.134 -4.51708 PRESSAVG: 2599600 33.3998 -23.1461 -7.31697 -23.1461 -17.801 -24.195 -7.317 -24.195 3.50863 GPRESSAVG: 2599600 33.1224 -22.7532 -8.26485 -24.8495 -16.5479 -25.8094 -4.05264 -24.1393 2.7477 TIMING: 2599600 CPU: 8290.36, 0.00313751/step Wall: 8290.36, 0.00313751/step, 2.09202 hours remaining, 233.101562 MB of memory in use. ENERGY: 2599600 3943.1629 20503.1123 14603.0187 228.9867 -202505.9818 1981.3580 0.0000 0.0000 51830.1393 -109416.2039 297.8685 -161246.3432 -109046.3144 298.8359 7.5010 31.1166 760635.1344 6.3691 6.4407 PRESSURE: 2599800 -186.528 124.696 -13.0998 124.695 -262.222 -163.724 -13.1007 -163.723 -99.1038 GPRESSURE: 2599800 -132.543 115.28 28.386 92.1375 -247.315 -137.321 -80.0909 -171.277 -81.31 PRESSAVG: 2599800 10.0196 -2.75174 24.7736 -2.75178 -56.4789 -46.163 24.7736 -46.163 -26.3361 GPRESSAVG: 2599800 9.47632 -1.29798 25.787 -3.0152 -57.0832 -45.9248 23.4313 -45.0565 -25.6892 TIMING: 2599800 CPU: 8290.99, 0.00314405/step Wall: 8290.99, 0.00314405/step, 2.09621 hours remaining, 233.101562 MB of memory in use. ENERGY: 2599800 4007.6670 20436.9338 14523.3516 235.9823 -203281.7414 2338.0972 0.0000 0.0000 52307.1178 -109432.5918 300.6097 -161739.7095 -109056.5685 298.8489 -182.6178 -153.7226 760539.9212 -24.2651 -24.4320 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600000 124.049 82.4439 -121.775 82.4441 77.5371 3.40656 -121.774 3.40607 -317.043 GPRESSURE: 2600000 128.092 38.1573 -125.947 90.9152 119.412 -6.68375 -175.056 -30.3487 -273.773 PRESSAVG: 2600000 -2.89993 -25.8774 -53.6323 -25.8774 -37.2706 -7.95654 -53.6323 -7.95653 4.87924 GPRESSAVG: 2600000 -2.64686 -27.8289 -54.3791 -23.8859 -36.8091 -8.57508 -54.1591 -5.18394 3.84155 TIMING: 2600000 CPU: 8291.63, 0.00323383/step Wall: 8291.63, 0.00323383/step, 2.15589 hours remaining, 233.101562 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: 2600000 4068.3086 20579.3913 14535.8101 261.1234 -203101.6737 2504.4619 0.0000 0.0000 51930.4227 -109222.1557 298.4449 -161152.5784 -108863.9393 299.4302 -38.4857 -8.7561 762427.3426 -11.7638 -11.8715 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 PRESSURE: 2600200 -188.247 -148.178 -6.77745 -148.177 110.49 -103.038 -6.77745 -103.038 -221.404 GPRESSURE: 2600200 -144.387 -164.728 -10.9304 -177.365 151.452 -148.121 -16.5815 -144.805 -223.054 PRESSAVG: 2600200 -7.41554 -30.4901 26.4902 -30.4901 28.5985 -2.95911 26.4901 -2.95912 3.35535 GPRESSAVG: 2600200 -7.94319 -28.7769 27.169 -30.6562 28.0922 -1.70928 26.5422 -6.88253 4.16162 TIMING: 2600200 CPU: 8292.26, 0.00313119/step Wall: 8292.26, 0.00313119/step, 2.08728 hours remaining, 233.101562 MB of memory in use. ENERGY: 2600200 3985.8700 20399.0276 14490.7894 260.4895 -202976.5238 2530.8991 0.0000 0.0000 51980.1839 -109329.2642 298.7308 -161309.4481 -108967.5448 299.4099 -99.7202 -71.9964 762704.9808 8.1794 8.1036 LDB: ============= START OF LOAD BALANCING ============== 8304.68 LDB: ============== END OF LOAD BALANCING =============== 8304.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8304.68 LDB: ============= START OF LOAD BALANCING ============== 8304.99 LDB: Largest compute 7031 load 0.033735 is 17.3% of average load 0.195414 LDB: Average compute 0.004423 is 2.3% of average load 0.195414 LDB: TIME 8305 LOAD: AVG 0.195414 MAX 0.214147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.164 MB LDB: TIME 8305 LOAD: AVG 0.195414 MAX 0.214147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.164 MB LDB: TIME 8305 LOAD: AVG 0.195414 MAX 0.214147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.164 MB LDB: ============== END OF LOAD BALANCING =============== 8305 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8305.01 PRESSURE: 2600400 -347.312 -134.452 137.26 -134.452 -162.137 -174.441 137.259 -174.442 531.212 GPRESSURE: 2600400 -274.466 -175.934 217.435 -164.622 -145.062 -154.207 105.783 -129.194 542.701 PRESSAVG: 2600400 0.322371 -35.2178 -46.8994 -35.2178 22.3217 -41.5468 -46.8995 -41.5468 21.7991 GPRESSAVG: 2600400 0.277383 -36.8449 -47.7938 -36.5997 20.873 -40.6992 -44.6723 -41.7162 23.4068 TIMING: 2600400 CPU: 8292.9, 0.00319206/step Wall: 8292.9, 0.00319206/step, 2.12769 hours remaining, 234.324219 MB of memory in use. ENERGY: 2600400 3999.1978 20458.8189 14554.8526 247.5111 -202989.0360 2492.0383 0.0000 0.0000 51987.3197 -109249.2976 298.7718 -161236.6173 -108884.5662 299.3554 7.2544 41.0577 762111.5396 14.8144 14.8524 PRESSURE: 2600600 -107.094 -290.565 2.33395 -290.564 27.8868 102.278 2.33372 102.278 59.8033 GPRESSURE: 2600600 41.5547 -306.938 51.9679 -252.894 10.0781 73.6065 -50.1367 197.288 32.0374 PRESSAVG: 2600600 -18.6193 -73.0277 30.0501 -73.0277 1.85169 -11.8055 30.0501 -11.8057 7.18288 GPRESSAVG: 2600600 -17.3814 -74.4889 31.9998 -70.6484 2.38583 -12.0804 28.1272 -9.43755 5.58018 TIMING: 2600600 CPU: 8293.52, 0.00311421/step Wall: 8293.52, 0.00311421/step, 2.07562 hours remaining, 234.394531 MB of memory in use. ENERGY: 2600600 3979.5225 20520.5389 14516.2857 249.5663 -202820.9479 2395.7277 0.0000 0.0000 51989.8575 -109169.4493 298.7864 -161159.3068 -108810.1614 299.4313 -6.4681 27.8900 762807.2292 -3.1949 -3.1385 PRESSURE: 2600800 -324.368 89.6861 200.054 89.6868 89.0841 31.4794 200.053 31.4789 37.9968 GPRESSURE: 2600800 -277.947 -21.476 212.78 -8.29204 141.249 78.2976 139.898 81.0713 25.0349 PRESSAVG: 2600800 -27.6268 -41.3553 12.9833 -41.3552 -11.103 27.4085 12.9833 27.4085 0.724559 GPRESSAVG: 2600800 -28.7488 -41.1061 11.5104 -41.2161 -10.2153 27.8167 14.7843 26.6559 1.22438 TIMING: 2600800 CPU: 8294.14, 0.00311243/step Wall: 8294.14, 0.00311242/step, 2.07426 hours remaining, 234.394531 MB of memory in use. ENERGY: 2600800 4008.9700 20597.4296 14479.0233 251.0997 -203118.2153 2469.9057 0.0000 0.0000 51939.2502 -109372.5369 298.4956 -161311.7871 -109020.9239 299.5613 -65.7623 -37.2209 760903.8913 -12.6684 -12.5799 PRESSURE: 2601000 -0.868845 -39.735 -40.775 -39.7358 273.721 -165.01 -40.7745 -165.011 20.1866 GPRESSURE: 2601000 16.3602 -32.6884 -70.3244 -60.2059 325.013 -247.54 -8.18951 -182.291 36.0961 PRESSAVG: 2601000 23.1578 -20.3647 -9.57279 -20.3647 65.087 -31.9603 -9.57275 -31.9602 -15.9337 GPRESSAVG: 2601000 23.5515 -19.2838 -8.23955 -20.6871 64.4938 -32.8583 -10.4132 -32.0165 -15.8514 TIMING: 2601000 CPU: 8294.77, 0.00310183/step Wall: 8294.77, 0.00310183/step, 2.06702 hours remaining, 234.394531 MB of memory in use. ENERGY: 2601000 3998.3401 20427.1531 14435.4706 259.2550 -203408.6955 2805.3454 0.0000 0.0000 52165.9359 -109317.1954 299.7984 -161483.1313 -108944.4899 299.8365 97.6796 125.8231 761710.9185 24.1037 24.0646 PRESSURE: 2601200 64.5799 -206.343 -48.3641 -206.342 71.8357 -144.901 -48.364 -144.902 71.4811 GPRESSURE: 2601200 102.273 -55.906 -4.63782 -200.714 88.1301 -40.5087 116.621 -189.594 108.012 PRESSAVG: 2601200 -19.5541 -61.1834 -45.2201 -61.1834 9.64637 -29.2152 -45.2202 -29.2151 -14.5169 GPRESSAVG: 2601200 -19.0011 -60.3184 -45.852 -59.8923 9.31091 -27.4315 -44.8185 -30.1001 -14.7042 TIMING: 2601200 CPU: 8295.39, 0.00310847/step Wall: 8295.39, 0.00310847/step, 2.07128 hours remaining, 234.394531 MB of memory in use. ENERGY: 2601200 3983.9343 20511.3728 14452.7737 245.9135 -203306.1197 2432.2086 0.0000 0.0000 52073.1323 -109606.7845 299.2650 -161679.9168 -109240.4875 299.4736 69.2989 99.4719 760786.1983 -8.1416 -8.1315 PRESSURE: 2601400 1.70802 -207.174 10.493 -207.174 -152.288 -44.979 10.4929 -44.9781 -83.4379 GPRESSURE: 2601400 35.2776 -79.1139 -18.047 -179.991 -115.151 -104.975 6.14696 19.1236 -57.1615 PRESSAVG: 2601400 -16.7553 12.6513 -26.6324 12.6513 -8.13985 -18.5072 -26.6325 -18.5072 -1.36488 GPRESSAVG: 2601400 -16.8326 13.4877 -27.1458 9.8485 -8.79484 -21.4557 -24.9238 -16.8511 -0.824347 TIMING: 2601400 CPU: 8296.01, 0.00311003/step Wall: 8296.01, 0.00311003/step, 2.07215 hours remaining, 234.394531 MB of memory in use. ENERGY: 2601400 3949.5099 20413.8850 14461.3935 234.6149 -203481.9579 2573.6830 0.0000 0.0000 52378.2901 -109470.5815 301.0188 -161848.8717 -109111.6149 299.4453 -78.0061 -45.6783 762452.7295 -8.7533 -8.8173 PRESSURE: 2601600 -602.073 112.899 8.34309 112.898 -362.053 -237.342 8.34385 -237.341 12.0472 GPRESSURE: 2601600 -477.672 141.282 -61.8038 48.1542 -310.622 -146.178 2.95809 -296.747 -93.5482 PRESSAVG: 2601600 -0.157832 -4.32921 -39.018 -4.32922 -5.01184 -28.4403 -39.018 -28.4403 5.55781 GPRESSAVG: 2601600 -1.18833 -5.86048 -38.3728 -3.30691 -3.29993 -27.1373 -37.8064 -27.6837 4.26641 TIMING: 2601600 CPU: 8296.63, 0.00309863/step Wall: 8296.63, 0.00309863/step, 2.06438 hours remaining, 234.394531 MB of memory in use. ENERGY: 2601600 3986.0789 20586.4120 14481.5116 258.8177 -202874.8040 2230.7610 0.0000 0.0000 51952.8642 -109378.3585 298.5738 -161331.2227 -109021.2183 299.8733 -317.3596 -293.9474 763322.4147 0.1294 -0.0740 PRESSURE: 2601800 306.014 18.7067 52.1856 18.7067 108.34 -20.282 52.1853 -20.2823 84.0182 GPRESSURE: 2601800 375.944 -32.3811 129.542 20.2692 132.84 -51.7989 -17.737 -0.595664 83.6922 PRESSAVG: 2601800 -83.9253 45.6142 -8.77883 45.6142 40.666 -31.3066 -8.77887 -31.3066 -16.5021 GPRESSAVG: 2601800 -84.6481 45.9588 -9.82501 45.6481 40.3994 -31.9086 -12.0663 -32.2088 -16.0156 TIMING: 2601800 CPU: 8297.25, 0.00310596/step Wall: 8297.25, 0.00310596/step, 2.06909 hours remaining, 234.394531 MB of memory in use. ENERGY: 2601800 4005.6690 20400.0480 14510.4223 256.9501 -203321.5660 2725.4000 0.0000 0.0000 52009.3184 -109413.7581 298.8983 -161423.0766 -109045.5053 299.4599 166.1242 197.4920 762702.5425 -19.9205 -20.0881 PRESSURE: 2602000 -494.828 61.8212 -24.518 61.8206 -67.8365 19.4639 -24.5181 19.4641 157.121 GPRESSURE: 2602000 -410.426 -2.4774 55.8874 153.757 -40.5606 47.9241 -77.9669 76.4959 136.367 PRESSAVG: 2602000 -1.58428 -30.3971 -55.1059 -30.3971 -6.62348 -32.8316 -55.106 -32.8317 -7.75926 GPRESSAVG: 2602000 0.483411 -30.7388 -54.8888 -29.9689 -7.85286 -31.4356 -53.6926 -34.2525 -8.06233 TIMING: 2602000 CPU: 8297.87, 0.00310014/step Wall: 8297.87, 0.00310014/step, 2.06504 hours remaining, 234.394531 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: 2602000 3913.8962 20610.8471 14426.7384 238.3838 -203253.4899 2492.8647 0.0000 0.0000 51930.1851 -109640.5746 298.4435 -161570.7598 -109286.0503 298.7949 -135.1811 -104.8732 762018.1403 -5.3223 -5.1439 PRESSURE: 2602200 -10.3548 -268.62 78.3764 -268.619 257.515 -153.143 78.3754 -153.143 307.945 GPRESSURE: 2602200 -18.1337 -232.219 80.2299 -360.918 292.201 -123.983 -19.5363 -114.408 363.749 PRESSAVG: 2602200 -22.3071 -47.3823 -33.2489 -47.3822 11.0179 -89.4573 -33.2489 -89.4572 15.319 GPRESSAVG: 2602200 -23.2611 -46.1434 -33.6879 -49.3487 11.9049 -90.0863 -33.5296 -86.3644 15.159 TIMING: 2602200 CPU: 8298.49, 0.00311534/step Wall: 8298.49, 0.00311534/step, 2.07499 hours remaining, 234.394531 MB of memory in use. ENERGY: 2602200 3972.6786 20417.9992 14567.1149 244.5608 -203699.4029 2892.1151 0.0000 0.0000 51981.3713 -109623.5631 298.7377 -161604.9344 -109264.0854 298.7933 185.0352 212.6053 760843.9421 1.3432 1.2676 PRESSURE: 2602400 306.024 -27.3989 215.359 -27.399 79.4978 -208.345 215.359 -208.344 -112.508 GPRESSURE: 2602400 293.09 91.9631 128.272 -37.9883 144.001 -188.819 215.363 -170.227 -65.0595 PRESSAVG: 2602400 -19.0012 42.3211 -0.551693 42.3211 19.3905 -109.754 -0.551665 -109.754 -15.4657 GPRESSAVG: 2602400 -19.3837 39.472 -0.527819 45.3185 18.1618 -108.539 -1.49291 -112.869 -14.5156 TIMING: 2602400 CPU: 8299.12, 0.00312041/step Wall: 8299.12, 0.00312041/step, 2.0782 hours remaining, 234.394531 MB of memory in use. ENERGY: 2602400 3967.9328 20362.9168 14463.6754 259.4151 -203428.0984 2757.1187 0.0000 0.0000 51789.6507 -109827.3889 297.6358 -161617.0396 -109463.0548 298.0732 91.0044 124.0105 761638.2866 -5.0254 -5.2458 PRESSURE: 2602600 -209.854 29.3606 48.3862 29.36 -160.681 -65.9969 48.3865 -65.9977 -178.898 GPRESSURE: 2602600 -200.602 -35.3895 165.506 -2.68631 -127.693 -64.0723 -23.3851 -87.7478 -127.581 PRESSAVG: 2602600 11.3739 -3.51123 60.8812 -3.51118 -12.3344 -5.11667 60.8813 -5.1167 10.3312 GPRESSAVG: 2602600 11.5236 -3.03983 60.4162 -4.90741 -11.433 -6.04718 61.447 -4.07936 8.82908 TIMING: 2602600 CPU: 8299.74, 0.00309712/step Wall: 8299.74, 0.00309712/step, 2.06251 hours remaining, 234.394531 MB of memory in use. ENERGY: 2602600 4005.9309 20541.1261 14524.7505 237.2542 -203638.5613 2542.5743 0.0000 0.0000 51866.4905 -109920.4349 298.0774 -161786.9254 -109564.7809 298.2061 -183.1440 -151.9587 761561.0703 3.1236 2.9732 PRESSURE: 2602800 0.624273 -107.01 5.48757 -107.01 235.842 311.74 5.48764 311.741 88.5997 GPRESSURE: 2602800 -1.85395 -107.472 13.6401 -39.2744 293.088 351.898 91.9082 167.352 107.345 PRESSAVG: 2602800 -14.0853 -17.7585 21.2503 -17.7585 27.374 -47.6848 21.2503 -47.6849 9.03081 GPRESSAVG: 2602800 -14.544 -17.3542 22.6295 -18.831 27.4739 -47.6989 19.759 -46.4089 9.32208 TIMING: 2602800 CPU: 8300.36, 0.00310802/step Wall: 8300.36, 0.00310802/step, 2.0696 hours remaining, 234.394531 MB of memory in use. ENERGY: 2602800 4049.8346 20429.9046 14535.0530 269.6640 -203309.0564 2357.6038 0.0000 0.0000 51782.1455 -109884.8510 297.5927 -161666.9965 -109528.0998 298.3160 108.3552 132.8599 761845.6467 7.4398 7.4173 PRESSURE: 2603000 26.0609 30.6934 -27.1546 30.6942 -175.305 242.679 -27.1554 242.678 -64.5077 GPRESSURE: 2603000 -10.4155 108.135 -144.576 4.48731 -31.9912 291.904 -108.849 136.732 -90.0024 PRESSAVG: 2603000 36.3531 3.24183 -17.7282 3.24188 -31.0489 11.5707 -17.7283 11.5706 -4.67338 GPRESSAVG: 2603000 35.2506 3.65342 -18.9195 4.29582 -30.2864 11.8758 -16.9121 8.17546 -3.81061 TIMING: 2603000 CPU: 8300.98, 0.0031217/step Wall: 8300.98, 0.0031217/step, 2.07853 hours remaining, 234.394531 MB of memory in use. ENERGY: 2603000 3959.0176 20513.5938 14523.6282 240.9302 -203272.8496 2360.2541 0.0000 0.0000 51856.3293 -109819.0963 298.0190 -161675.4257 -109453.1675 298.2444 -71.2508 -44.1364 761520.0560 0.2103 0.3845 PRESSURE: 2603200 -500.453 -161.252 82.1604 -161.252 238.133 -198.094 82.1607 -198.094 -66.5999 GPRESSURE: 2603200 -388.316 -190.41 28.0119 -307.415 176.297 -218.187 123.105 -100.631 -28.1862 PRESSAVG: 2603200 -21.9815 -74.2402 4.60753 -74.2402 26.3696 21.2886 4.60759 21.2886 3.07381 GPRESSAVG: 2603200 -21.2846 -73.0191 5.06591 -75.3895 24.9603 20.3653 3.97015 22.4731 3.98235 TIMING: 2603200 CPU: 8301.6, 0.00310731/step Wall: 8301.6, 0.00310731/step, 2.06878 hours remaining, 234.394531 MB of memory in use. ENERGY: 2603200 3974.0311 20589.6493 14523.8290 231.6497 -203445.2997 2445.2766 0.0000 0.0000 52032.7685 -109648.0956 299.0330 -161680.8641 -109283.1374 298.3695 -109.6399 -80.0684 761607.7575 2.4873 2.5527 PRESSURE: 2603400 230.269 -72.3898 49.9033 -72.3896 -259.084 49.9147 49.9042 49.9142 13.0299 GPRESSURE: 2603400 139.116 -18.6618 46.3519 -110.961 -121.142 91.6951 115.568 -33.6746 47.8944 PRESSAVG: 2603400 1.24798 -13.5613 50.5688 -13.5612 -12.6723 -3.6999 50.5688 -3.69996 13.416 GPRESSAVG: 2603400 2.33493 -14.3427 49.8589 -12.5054 -11.9961 -3.3406 51.6546 -5.60441 12.0649 TIMING: 2603400 CPU: 8302.23, 0.00310764/step Wall: 8302.23, 0.00310764/step, 2.06882 hours remaining, 234.394531 MB of memory in use. ENERGY: 2603400 3967.4957 20622.7139 14429.8947 240.7696 -203710.8086 2685.3391 0.0000 0.0000 52157.1797 -109607.4159 299.7480 -161764.5956 -109238.4379 298.9915 -5.2615 21.9562 761920.7733 0.6639 0.8013 PRESSURE: 2603600 -49.8551 -174.175 -138.567 -174.175 -58.1645 -232.794 -138.566 -232.794 291.621 GPRESSURE: 2603600 -10.3266 -226.362 59.8869 -98.2754 -25.7188 -198.706 -72.3754 -186.551 320.958 PRESSAVG: 2603600 13.2741 -23.7847 26.6785 -23.7847 12.69 -34.5411 26.6784 -34.5411 4.25282 GPRESSAVG: 2603600 12.1226 -22.6018 28.0236 -23.5961 13.0368 -34.63 28.325 -31.8836 5.70981 TIMING: 2603600 CPU: 8302.84, 0.00309467/step Wall: 8302.84, 0.00309467/step, 2.06002 hours remaining, 234.394531 MB of memory in use. ENERGY: 2603600 3881.5455 20604.3326 14426.9482 253.6260 -203551.8503 2682.0668 0.0000 0.0000 52161.8078 -109541.5234 299.7746 -161703.3312 -109173.7160 299.4079 61.2004 94.9708 761137.8450 10.0723 10.2897 PRESSURE: 2603800 -214.96 -87.887 33.0373 -87.8864 -139.605 -96.794 33.0367 -96.7945 172.88 GPRESSURE: 2603800 -135.516 -12.9712 34.9146 11.9915 -61.9429 -19.3772 48.9461 -58.1622 109.316 PRESSAVG: 2603800 -21.5208 -61.5312 69.8814 -61.5312 12.8778 -12.6647 69.8814 -12.6647 -20.9906 GPRESSAVG: 2603800 -20.731 -64.9186 69.3497 -61.8535 13.3054 -10.5567 66.8251 -13.7998 -22.3163 TIMING: 2603800 CPU: 8303.47, 0.00310656/step Wall: 8303.47, 0.00310657/step, 2.06776 hours remaining, 234.394531 MB of memory in use. ENERGY: 2603800 3936.9303 20486.4389 14503.6321 263.8825 -203416.1298 2580.2007 0.0000 0.0000 52118.8627 -109526.1827 299.5278 -161645.0453 -109162.6861 299.1849 -60.5615 -29.3811 762240.8910 -9.8778 -9.9140 PRESSURE: 2604000 -161.41 -63.2618 -122.286 -63.2622 -205.72 -24.6695 -122.286 -24.6699 122.279 GPRESSURE: 2604000 -123.289 -33.8426 -154.08 -119.843 -85.5726 -158.521 -128.27 34.6236 55.905 PRESSAVG: 2604000 -29.0095 -77.2731 -7.14534 -77.2731 -7.70858 -34.1092 -7.14532 -34.1092 -7.16284 GPRESSAVG: 2604000 -28.1225 -74.3665 -8.01924 -78.418 -8.90964 -33.8969 -5.24353 -36.637 -6.60165 TIMING: 2604000 CPU: 8304.09, 0.00311535/step Wall: 8304.09, 0.00311535/step, 2.07344 hours remaining, 234.394531 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: 2604000 3917.4873 20561.8376 14554.3826 261.6093 -203174.0164 2335.7984 0.0000 0.0000 52125.2037 -109417.6976 299.5643 -161542.9012 -109045.8833 299.4091 -81.6171 -50.9857 761097.3689 -14.6270 -14.5446 PRESSURE: 2604200 357.283 194.619 352.322 194.619 532.315 18.164 352.323 18.1639 -274.241 GPRESSURE: 2604200 450.623 97.1193 294.063 170.853 466.409 -15.2952 299.848 59.1759 -212.769 PRESSAVG: 2604200 -46.0166 -14.5664 45.9663 -14.5664 47.7763 -15.5126 45.9663 -15.5125 9.65347 GPRESSAVG: 2604200 -46.1121 -17.906 45.5392 -13.0269 47.4714 -15.5738 47.6377 -12.9988 10.2149 TIMING: 2604200 CPU: 8304.71, 0.00312789/step Wall: 8304.71, 0.00312789/step, 2.08161 hours remaining, 234.394531 MB of memory in use. ENERGY: 2604200 3941.7315 20474.9904 14462.0561 247.3382 -203279.4016 2546.3794 0.0000 0.0000 52089.3776 -109517.5282 299.3584 -161606.9059 -109150.1926 299.1949 205.1193 234.7542 762769.9843 3.8044 3.8581 LDB: ============= START OF LOAD BALANCING ============== 8317.13 LDB: ============== END OF LOAD BALANCING =============== 8317.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.13 LDB: ============= START OF LOAD BALANCING ============== 8317.45 LDB: Largest compute 7059 load 0.031561 is 16.1% of average load 0.195530 LDB: Average compute 0.004412 is 2.3% of average load 0.195530 LDB: TIME 8317.45 LOAD: AVG 0.19553 MAX 0.215826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 8317.45 LOAD: AVG 0.19553 MAX 0.215826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 8317.45 LOAD: AVG 0.19553 MAX 0.215826 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 8317.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.46 PRESSURE: 2604400 261.394 -75.0387 201.82 -75.0401 295.603 215.037 201.821 215.036 0.923963 GPRESSURE: 2604400 266.159 -134.811 111.478 60.0803 330.098 173.696 182.427 290.963 42.2466 PRESSAVG: 2604400 28.16 -48.4566 38.5996 -48.4566 1.71785 4.64568 38.5997 4.6457 8.95733 GPRESSAVG: 2604400 27.6424 -45.3218 38.2768 -50.9522 2.41164 5.38889 36.5626 5.06339 9.04568 TIMING: 2604400 CPU: 8305.35, 0.0031854/step Wall: 8305.35, 0.0031854/step, 2.11971 hours remaining, 234.570312 MB of memory in use. ENERGY: 2604400 3990.2403 20483.4193 14494.6640 234.4713 -203751.1330 3061.2150 0.0000 0.0000 52048.6118 -109438.5113 299.1241 -161487.1231 -109083.9710 299.2681 185.9736 212.8347 761605.1460 12.9451 13.0332 PRESSURE: 2604600 -380.897 23.5791 90.6783 23.5794 -656.087 3.71299 90.6786 3.71259 6.98518 GPRESSURE: 2604600 -403.55 37.99 95.9935 -77.4386 -593.467 -16.7681 57.3623 -13.7611 53.634 PRESSAVG: 2604600 25.4082 -17.8213 65.5222 -17.8213 32.9742 43.9712 65.5223 43.9712 20.4719 GPRESSAVG: 2604600 24.9948 -20.3909 66.3206 -16.1154 32.8145 41.6925 64.3849 43.6422 20.8832 TIMING: 2604600 CPU: 8305.98, 0.00314109/step Wall: 8305.98, 0.00314109/step, 2.09004 hours remaining, 234.773438 MB of memory in use. ENERGY: 2604600 3958.7418 20765.8285 14541.3955 239.4838 -203601.6737 2752.6726 0.0000 0.0000 52042.1869 -109301.3646 299.0872 -161343.5515 -108942.7457 299.1716 -343.3331 -314.4610 762914.9652 26.2848 26.2309 PRESSURE: 2604800 103.218 35.4906 -303.962 35.4914 58.7442 -50.9955 -303.962 -50.9957 -465.654 GPRESSURE: 2604800 181.099 96.1421 -260.88 43.3898 61.1124 -60.1242 -187.54 25.7213 -448.113 PRESSAVG: 2604800 8.69526 -47.6842 21.0953 -47.6842 -49.3515 -51.2096 21.0954 -51.2095 7.1328 GPRESSAVG: 2604800 10.1241 -45.4887 23.0596 -47.1976 -50.0064 -51.777 21.6658 -49.2529 6.68921 TIMING: 2604800 CPU: 8306.6, 0.00312516/step Wall: 8306.6, 0.00312516/step, 2.07928 hours remaining, 234.773438 MB of memory in use. ENERGY: 2604800 3996.1547 20506.0584 14538.8191 245.4049 -203266.6154 2812.2800 0.0000 0.0000 51987.6223 -109180.2759 298.7736 -161167.8982 -108819.2159 299.2692 -101.2307 -68.6336 763113.8377 -11.1745 -11.0644 PRESSURE: 2605000 189.761 28.0341 25.6516 28.0351 153.78 22.5625 25.6526 22.5623 -489.802 GPRESSURE: 2605000 169.02 91.9834 68.8035 -82.2596 194.096 71.6025 -111.981 154.831 -430.478 PRESSAVG: 2605000 -19.2388 -6.34244 70.4322 -6.34242 4.30716 -15.2611 70.4321 -15.2611 4.07318 GPRESSAVG: 2605000 -19.8245 -7.18907 68.5482 -6.42553 5.35758 -14.6423 70.9937 -16.478 3.18227 TIMING: 2605000 CPU: 8307.22, 0.0031014/step Wall: 8307.22, 0.0031014/step, 2.06329 hours remaining, 234.773438 MB of memory in use. ENERGY: 2605000 4107.6071 20519.1528 14459.3520 240.4792 -203293.4370 2856.4440 0.0000 0.0000 52006.3005 -109104.1015 298.8809 -161110.4020 -108747.2873 299.2831 -48.7535 -22.4539 763365.3277 -3.6195 -3.7615 PRESSURE: 2605200 -411.873 -201.651 -96.503 -201.652 -239.357 -27.1691 -96.502 -27.1686 -121.214 GPRESSURE: 2605200 -450.326 -233.828 -111.852 -249.505 -124.331 -34.057 -103.435 114.984 -104.472 PRESSAVG: 2605200 -53.7452 -28.3589 9.84923 -28.3589 35.9726 24.3498 9.84919 24.3499 20.4252 GPRESSAVG: 2605200 -54.7452 -29.3224 9.14076 -29.5694 35.5136 24.3205 9.64183 22.902 22.1011 TIMING: 2605200 CPU: 8307.85, 0.0031114/step Wall: 8307.85, 0.0031114/step, 2.06977 hours remaining, 234.773438 MB of memory in use. ENERGY: 2605200 4044.5501 20428.5925 14464.6737 243.0518 -202624.2530 2278.3325 0.0000 0.0000 51934.4146 -109230.6379 298.4678 -161165.0525 -108862.5510 299.2947 -257.4815 -226.3763 764182.6189 0.8842 0.9565 PRESSURE: 2605400 439.698 -153.878 -43.6262 -153.878 4.23293 66.9756 -43.6262 66.9768 38.5189 GPRESSURE: 2605400 415.708 -181.406 -4.46736 -21.4494 101.052 73.7374 -52.6051 83.7673 59.2359 PRESSAVG: 2605400 34.0692 -33.7205 7.09317 -33.7206 -1.37459 32.0671 7.09313 32.0672 -4.97888 GPRESSAVG: 2605400 34.763 -32.6182 8.71174 -33.6511 -0.42708 31.6279 8.22245 32.5057 -6.52789 TIMING: 2605400 CPU: 8308.47, 0.00311204/step Wall: 8308.47, 0.00311204/step, 2.07003 hours remaining, 234.773438 MB of memory in use. ENERGY: 2605400 4025.9449 20386.4166 14541.1325 244.4333 -202955.7508 2499.2613 0.0000 0.0000 52038.5214 -109220.0408 299.0661 -161258.5622 -108862.0642 299.3905 160.8166 191.9986 759976.0574 9.2386 9.2693 PRESSURE: 2605600 -235.103 129.906 191.121 129.906 166.188 135.105 191.121 135.105 410.349 GPRESSURE: 2605600 -108.565 5.44737 167.337 104.872 120.734 55.9754 209.973 199.314 415.743 PRESSAVG: 2605600 46.7635 30.5712 5.81941 30.5712 -57.7859 -9.60975 5.81941 -9.60974 2.91752 GPRESSAVG: 2605600 48.1303 27.7247 4.42057 30.2885 -59.6399 -10.4132 6.76247 -8.11718 3.39008 TIMING: 2605600 CPU: 8309.1, 0.00314034/step Wall: 8309.1, 0.00314034/step, 2.08867 hours remaining, 234.773438 MB of memory in use. ENERGY: 2605600 4004.2331 20534.6678 14501.2941 229.8021 -202934.4813 2335.8578 0.0000 0.0000 51867.0140 -109461.6125 298.0804 -161328.6265 -109103.1014 299.6869 113.8115 142.6372 760624.3215 -2.7016 -2.7065 PRESSURE: 2605800 229.01 142.655 -232.023 142.655 -82.9195 -170.069 -232.023 -170.069 -343.772 GPRESSURE: 2605800 215.843 58.9393 -86.3036 47.0059 -11.0818 -149.6 -305.777 -108.858 -320.974 PRESSAVG: 2605800 -29.0313 -11.2292 4.78879 -11.2293 60.9559 16.3921 4.78883 16.392 4.64274 GPRESSAVG: 2605800 -29.2588 -8.91113 4.86009 -9.78001 61.6883 16.5171 4.29176 16.8324 3.86882 TIMING: 2605800 CPU: 8309.72, 0.00313232/step Wall: 8309.72, 0.00313232/step, 2.08317 hours remaining, 234.773438 MB of memory in use. ENERGY: 2605800 3934.2315 20526.7021 14502.2737 243.4777 -203329.9372 2646.3040 0.0000 0.0000 52141.7929 -109335.1554 299.6596 -161476.9482 -108965.8191 298.9387 -65.8938 -38.7378 761256.1746 12.1891 12.0994 PRESSURE: 2606000 -380.606 125.255 270.919 125.254 -119.231 -331.208 270.918 -331.207 -50.2343 GPRESSURE: 2606000 -349.393 102.722 262.869 136.016 -23.2654 -229.545 240.406 -216.143 -88.8975 PRESSAVG: 2606000 6.99765 -37.5298 -19.162 -37.5298 -35.3033 -29.742 -19.162 -29.742 4.073 GPRESSAVG: 2606000 6.93153 -37.3741 -18.1139 -36.9061 -35.4233 -29.2209 -19.7592 -30.2283 4.21168 TIMING: 2606000 CPU: 8310.35, 0.0031262/step Wall: 8310.35, 0.0031262/step, 2.07893 hours remaining, 234.773438 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: 2606000 4019.9114 20576.2310 14529.3314 244.4922 -203097.5363 2422.0053 0.0000 0.0000 52113.5786 -109191.9863 299.4975 -161305.5650 -108839.0492 299.5860 -183.3573 -153.8520 761301.8392 -8.0775 -8.0934 PRESSURE: 2606200 -188.162 -0.887572 27.8661 -0.887071 -400.954 52.5826 27.8656 52.5829 -270.018 GPRESSURE: 2606200 -184.574 -18.3223 31.5343 -75.6279 -317.407 4.29392 73.8452 89.0113 -246.889 PRESSAVG: 2606200 -9.92943 -28.569 68.7747 -28.569 -49.6451 -63.1563 68.7747 -63.1563 20.1891 GPRESSAVG: 2606200 -11.286 -28.7827 66.8156 -27.884 -49.1701 -62.2585 70.1721 -64.1095 20.8789 TIMING: 2606200 CPU: 8310.97, 0.00312381/step Wall: 8310.97, 0.00312381/step, 2.07716 hours remaining, 234.773438 MB of memory in use. ENERGY: 2606200 4002.9041 20420.0273 14519.9503 256.8950 -203245.1502 2540.6761 0.0000 0.0000 52170.9623 -109333.7351 299.8272 -161504.6975 -108964.1512 299.9614 -286.3781 -249.6234 761369.0021 -13.1285 -13.1924 PRESSURE: 2606400 403.673 119.684 272.926 119.684 -48.0171 221.082 272.926 221.082 93.9447 GPRESSURE: 2606400 406.124 51.5733 294.767 65.6871 43.345 178.192 90.1404 183.363 102.066 PRESSAVG: 2606400 -12.6994 -60.7226 -22.6443 -60.7227 6.19886 -7.83633 -22.6443 -7.83637 -3.15996 GPRESSAVG: 2606400 -11.519 -61.0239 -21.3987 -62.7964 5.85659 -8.37867 -23.7824 -7.4176 -3.82752 TIMING: 2606400 CPU: 8311.6, 0.0031152/step Wall: 8311.6, 0.0031152/step, 2.07126 hours remaining, 234.773438 MB of memory in use. ENERGY: 2606400 3866.4940 20356.0725 14474.1675 248.4142 -203310.0207 2717.4331 0.0000 0.0000 52068.7006 -109578.7388 299.2395 -161647.4393 -109215.2703 298.8806 149.8670 183.8449 760979.8331 -3.2202 -3.1633 PRESSURE: 2606600 45.0937 193.809 -249.07 193.808 295.41 119.177 -249.07 119.177 -12.9599 GPRESSURE: 2606600 61.2429 188.896 -292.476 204.275 366.616 223.679 -411.669 -18.4761 -36.0917 PRESSAVG: 2606600 -2.01057 -5.4186 -17.8058 -5.41861 -4.53171 10.2946 -17.8058 10.2946 12.0411 GPRESSAVG: 2606600 -1.58779 -3.88824 -17.2231 -5.55554 -4.04251 11.6553 -17.9444 9.35626 10.9765 TIMING: 2606600 CPU: 8312.22, 0.00312251/step Wall: 8312.22, 0.00312251/step, 2.07595 hours remaining, 234.773438 MB of memory in use. ENERGY: 2606600 4053.1472 20560.7626 14438.9404 255.3641 -203410.9810 2651.6723 0.0000 0.0000 51835.9955 -109615.0990 297.9022 -161451.0945 -109261.3448 298.5637 109.1814 130.5891 761456.3976 1.8329 1.7821 PRESSURE: 2606800 -264.357 -66.4493 13.7627 -66.4484 -53.091 169.889 13.7621 169.889 37.209 GPRESSURE: 2606800 -181.899 -70.4164 -99.7465 -59.6904 -76.9185 120.046 107.404 217.084 67.4843 PRESSAVG: 2606800 -15.3229 -26.0459 -51.5122 -26.0459 32.9571 -16.1064 -51.5122 -16.1065 0.696687 GPRESSAVG: 2606800 -17.0169 -24.6539 -51.4345 -25.6283 33.742 -17.4996 -51.2342 -15.974 1.92109 TIMING: 2606800 CPU: 8312.85, 0.00313067/step Wall: 8312.85, 0.00313067/step, 2.0812 hours remaining, 234.773438 MB of memory in use. ENERGY: 2606800 3990.0170 20564.2745 14496.6042 249.1671 -203228.6280 2384.8515 0.0000 0.0000 51911.3005 -109632.4131 298.3350 -161543.7136 -109261.7240 298.8002 -93.4131 -63.7778 761404.4809 6.1103 6.2154 PRESSURE: 2607000 -220.892 -15.0612 -50.0283 -15.0617 -25.4102 -104.538 -50.0295 -104.538 362.898 GPRESSURE: 2607000 -189.856 13.9716 -163.483 26.84 -1.47319 -122.543 15.1142 -45.4826 399.32 PRESSAVG: 2607000 26.1653 -14.4523 -20.8511 -14.4523 -12.7025 -6.99724 -20.8512 -6.9972 -4.08833 GPRESSAVG: 2607000 25.615 -15.2652 -21.1895 -15.9896 -12.3521 -6.89889 -21.4508 -5.87138 -4.16538 TIMING: 2607000 CPU: 8313.48, 0.00316326/step Wall: 8313.48, 0.00316326/step, 2.10269 hours remaining, 234.773438 MB of memory in use. ENERGY: 2607000 4016.3563 20414.1412 14484.2769 260.0543 -203101.3912 2262.3465 0.0000 0.0000 51611.4469 -110052.7691 296.6117 -161664.2160 -109698.2711 298.1200 38.8653 69.3301 761905.8977 3.1249 3.0325 PRESSURE: 2607200 233.5 113.548 -74.2846 113.547 231.272 67.2111 -74.284 67.2101 -347.341 GPRESSURE: 2607200 216.449 161.529 -2.06884 129.342 225.178 77.393 -81.5524 -142.86 -239.061 PRESSAVG: 2607200 -39.3058 5.06498 -37.1848 5.06501 11.242 14.4311 -37.1849 14.431 19.0069 GPRESSAVG: 2607200 -39.2805 3.73782 -37.7414 7.04147 10.7931 14.7303 -38.6771 14.0335 19.5354 TIMING: 2607200 CPU: 8314.11, 0.00313406/step Wall: 8314.11, 0.00313406/step, 2.0831 hours remaining, 234.773438 MB of memory in use. ENERGY: 2607200 3966.1610 20263.6557 14568.8239 247.5025 -203380.4322 2916.6889 0.0000 0.0000 51714.7287 -109702.8715 297.2053 -161417.6002 -109344.7647 298.2379 39.1439 67.5220 760841.7649 -3.0190 -2.9840 PRESSURE: 2607400 -94.3799 -22.8257 -111.38 -22.8253 -155.71 88.0147 -111.381 88.0132 154.228 GPRESSURE: 2607400 33.0865 -9.56471 -165.77 -151.529 -107.234 112.316 -81.9415 195.237 75.714 PRESSAVG: 2607400 30.5545 -63.4165 -12.0893 -63.4165 -15.471 -1.79325 -12.0894 -1.79331 2.08074 GPRESSAVG: 2607400 32.1356 -63.7398 -11.1863 -64.342 -17.0067 -1.30925 -11.8129 -2.22132 1.98172 TIMING: 2607400 CPU: 8314.74, 0.00315365/step Wall: 8314.74, 0.00315365/step, 2.09595 hours remaining, 234.773438 MB of memory in use. ENERGY: 2607400 3980.9038 20364.6394 14379.6869 250.9499 -203400.7743 2576.6704 0.0000 0.0000 52039.1678 -109808.7561 299.0698 -161847.9239 -109448.3375 298.5545 -31.9538 0.5221 759964.0631 5.7214 5.7036 PRESSURE: 2607600 -270.037 -205.635 13.2395 -205.635 -327.204 -159.681 13.2398 -159.681 -291.148 GPRESSURE: 2607600 -309.685 -154.391 19.6832 -94.0263 -219.466 -213.937 76.3952 -164.315 -282.494 PRESSAVG: 2607600 44.7743 -68.6487 -21.3624 -68.6487 -36.9956 -3.16609 -21.3623 -3.16618 10.8455 GPRESSAVG: 2607600 43.835 -67.9875 -21.4527 -68.04 -35.4255 -4.34141 -19.6256 -3.02282 9.56501 TIMING: 2607600 CPU: 8315.37, 0.00313664/step Wall: 8315.37, 0.00313664/step, 2.08447 hours remaining, 234.773438 MB of memory in use. ENERGY: 2607600 4003.5802 20338.2461 14465.2285 261.5227 -202966.7630 2280.7191 0.0000 0.0000 51821.6567 -109795.8096 297.8198 -161617.4663 -109428.4523 298.4405 -296.1296 -270.5482 762947.5951 6.2081 5.9915 PRESSURE: 2607800 -77.3884 73.8071 238.193 73.8072 -163.239 168.518 238.193 168.519 -10.416 GPRESSURE: 2607800 -4.77519 63.106 222.486 100.179 -125.542 149.823 205.991 210.022 -39.1676 PRESSAVG: 2607800 1.26513 -12.1828 -17.7928 -12.1828 -7.56644 2.37051 -17.7929 2.37058 10.4637 GPRESSAVG: 2607800 1.63686 -14.7309 -18.4709 -9.61229 -9.04682 2.99565 -17.9638 3.69331 11.5013 TIMING: 2607800 CPU: 8315.99, 0.00313706/step Wall: 8315.99, 0.00313706/step, 2.08457 hours remaining, 234.773438 MB of memory in use. ENERGY: 2607800 3968.1650 20323.2091 14528.7657 256.0223 -203316.5049 2552.8090 0.0000 0.0000 51775.3055 -109912.2282 297.5534 -161687.5337 -109563.0700 297.7797 -83.6811 -56.4951 762605.7834 1.3875 1.3638 PRESSURE: 2608000 481.299 252.739 -410.154 252.739 459.586 -105.814 -410.155 -105.814 658.429 GPRESSURE: 2608000 443.703 136.838 -418.453 220.606 588.651 -149.179 -357.639 -223.861 645.008 PRESSAVG: 2608000 23.9696 -23.0849 1.39944 -23.0848 42.5207 -16.9318 1.39933 -16.9318 -0.392597 GPRESSAVG: 2608000 22.4672 -22.2574 2.88949 -24.454 43.1637 -18.3812 -0.410768 -15.5889 -0.689115 TIMING: 2608000 CPU: 8316.62, 0.00311702/step Wall: 8316.62, 0.00311702/step, 2.07109 hours remaining, 234.773438 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: 2608000 3952.4090 20421.6960 14522.2476 231.1804 -204004.6040 3082.8970 0.0000 0.0000 51899.2253 -109894.9489 298.2656 -161794.1741 -109542.8931 297.8621 533.1046 559.1203 760948.8042 22.0325 21.6473 PRESSURE: 2608200 148.511 -71.7 -22.4899 -71.7001 137.004 -204.438 -22.4897 -204.438 177.713 GPRESSURE: 2608200 183.32 1.02605 -53.9456 -16.8516 105.465 -272.707 61.6188 -70.9379 275.836 PRESSAVG: 2608200 -9.27392 -7.94161 42.7487 -7.9416 28.9613 -55.4517 42.7487 -55.4518 15.5534 GPRESSAVG: 2608200 -8.44269 -7.71923 41.7081 -7.62965 28.7677 -54.1879 43.3286 -57.6799 14.2701 TIMING: 2608200 CPU: 8317.24, 0.00311786/step Wall: 8317.24, 0.00311786/step, 2.07147 hours remaining, 234.773438 MB of memory in use. ENERGY: 2608200 3915.9870 20526.6166 14509.1749 253.5517 -204103.2866 2966.9347 0.0000 0.0000 52195.8896 -109735.1321 299.9705 -161931.0217 -109375.9954 298.6413 154.4093 188.2070 759599.1651 11.7469 11.5317 LDB: ============= START OF LOAD BALANCING ============== 8329.66 LDB: ============== END OF LOAD BALANCING =============== 8329.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8329.66 LDB: ============= START OF LOAD BALANCING ============== 8329.98 LDB: Largest compute 7071 load 0.030941 is 15.8% of average load 0.195397 LDB: Average compute 0.004415 is 2.3% of average load 0.195397 LDB: TIME 8329.98 LOAD: AVG 0.195397 MAX 0.215929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.961 MB LDB: TIME 8329.98 LOAD: AVG 0.195397 MAX 0.215929 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.164 MB LDB: TIME 8329.98 LOAD: AVG 0.195397 MAX 0.215929 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.164 MB LDB: ============== END OF LOAD BALANCING =============== 8329.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8329.99 PRESSURE: 2608400 297.557 -25.8387 85.034 -25.838 289.064 21.1959 85.034 21.1953 106.484 GPRESSURE: 2608400 343.612 -83.6583 131.748 38.145 288.84 -3.77054 20.0639 105.741 154.664 PRESSAVG: 2608400 46.2697 7.42086 55.6171 7.42077 -51.4092 -28.3414 55.617 -28.3414 -1.23123 GPRESSAVG: 2608400 46.393 8.25588 55.4661 7.22661 -51.9565 -28.2197 55.0699 -29.8782 -0.412145 TIMING: 2608400 CPU: 8317.88, 0.00320141/step Wall: 8317.88, 0.00320141/step, 2.12681 hours remaining, 233.363281 MB of memory in use. ENERGY: 2608400 3995.7288 20505.6292 14461.5592 229.8120 -203790.9656 2827.0659 0.0000 0.0000 52077.3270 -109693.8436 299.2891 -161771.1706 -109326.3190 299.0906 231.0347 262.3722 760561.4764 -2.1236 -1.9919 PRESSURE: 2608600 -49.1416 -75.2305 -185.413 -75.2317 22.853 -82.8016 -185.413 -82.802 247.758 GPRESSURE: 2608600 -57.8096 -91.1095 -163.247 -203.055 98.1147 10.6134 -213.811 -141.976 274.38 PRESSAVG: 2608600 21.5724 -46.9776 44.6568 -46.9775 -35.3585 26.3944 44.6568 26.3945 -10.174 GPRESSAVG: 2608600 21.3999 -48.4039 44.6477 -47.3461 -34.776 27.4452 47.1204 28.5514 -10.5652 TIMING: 2608600 CPU: 8318.51, 0.00313026/step Wall: 8318.51, 0.00313026/step, 2.07936 hours remaining, 233.363281 MB of memory in use. ENERGY: 2608600 3950.2249 20476.5201 14459.0219 255.8366 -203306.6769 2346.9744 0.0000 0.0000 52124.4695 -109693.6295 299.5600 -161818.0990 -109326.1053 298.7802 73.8230 104.8950 761274.5626 -7.9867 -7.9804 PRESSURE: 2608800 -198.484 37.0348 169.933 37.0342 -511.465 -21.5754 169.933 -21.5755 -261.251 GPRESSURE: 2608800 -175.438 30.0251 231.001 15.8143 -492.697 -77.6512 140.902 120.786 -221.129 PRESSAVG: 2608800 -6.29637 -71.2419 74.7289 -71.2419 24.2957 -17.1286 74.7289 -17.1286 27.9041 GPRESSAVG: 2608800 -6.65623 -70.0177 73.3785 -71.6934 24.6116 -17.3366 74.7216 -17.4739 28.0309 TIMING: 2608800 CPU: 8319.13, 0.00314321/step Wall: 8319.13, 0.00314321/step, 2.08779 hours remaining, 233.363281 MB of memory in use. ENERGY: 2608800 4008.0507 20431.9966 14501.4953 259.4956 -203709.3857 2622.6690 0.0000 0.0000 52074.3020 -109811.3764 299.2717 -161885.6784 -109445.7836 298.8663 -323.7333 -296.4213 762192.9159 15.3012 15.3288 PRESSURE: 2609000 -65.2834 20.1179 119.006 20.1175 223.547 143.321 119.005 143.321 -0.679718 GPRESSURE: 2609000 -17.1097 94.8487 80.5692 12.3485 214.072 116.061 53.3054 171.839 55.8843 PRESSAVG: 2609000 -34.3765 -16.9676 6.13118 -16.9677 14.8178 -17.9863 6.13117 -17.9863 -6.29224 GPRESSAVG: 2609000 -34.3728 -17.4387 6.5122 -17.6061 14.1432 -16.7394 5.50686 -18.3783 -5.8453 TIMING: 2609000 CPU: 8319.76, 0.00312475/step Wall: 8319.76, 0.00312475/step, 2.07536 hours remaining, 233.363281 MB of memory in use. ENERGY: 2609000 3898.3816 20465.1605 14505.2570 253.8959 -203195.1819 2432.4180 0.0000 0.0000 51776.5896 -109863.4794 297.5608 -161640.0690 -109498.3980 298.4185 52.5279 84.2821 761968.7127 -8.6170 -8.6916 PRESSURE: 2609200 3.11153 84.582 -115.06 84.5818 65.324 41.7615 -115.06 41.7614 70.4503 GPRESSURE: 2609200 10.9637 -81.8076 -109.51 36.5663 96.7113 -27.2237 -140.424 -49.9371 127.545 PRESSAVG: 2609200 44.8044 -13.7348 -1.87652 -13.7348 -15.8337 25.4332 -1.87652 25.4332 -13.5322 GPRESSAVG: 2609200 44.8051 -14.8373 -1.00414 -13.4029 -15.0729 23.4316 -2.59686 24.5025 -13.9912 TIMING: 2609200 CPU: 8320.38, 0.00312555/step Wall: 8320.38, 0.00312555/step, 2.07572 hours remaining, 233.363281 MB of memory in use. ENERGY: 2609200 3974.6797 20465.2194 14448.8768 257.6938 -203710.0149 2658.2387 0.0000 0.0000 51892.6787 -110012.6277 298.2279 -161905.3064 -109645.9398 298.3665 46.2953 78.4066 760220.2243 5.1462 5.2470 PRESSURE: 2609400 189.987 -145.604 -82.9625 -145.604 199.982 212.128 -82.9626 212.129 123.737 GPRESSURE: 2609400 313.727 -118.948 -64.8278 -82.0143 199.3 155.091 -133.431 193.267 98.6763 PRESSAVG: 2609400 33.8738 -84.2716 -12.9898 -84.2716 12.289 41.2155 -12.9897 41.2157 17.6592 GPRESSAVG: 2609400 34.4673 -82.3732 -13.1501 -85.7154 11.995 43.1472 -13.45 39.4256 17.2895 TIMING: 2609400 CPU: 8321.01, 0.00313094/step Wall: 8321.01, 0.00313093/step, 2.07911 hours remaining, 233.363281 MB of memory in use. ENERGY: 2609400 4021.6305 20481.9637 14506.7424 227.4924 -203791.6995 2866.6918 0.0000 0.0000 51803.0659 -109884.1129 297.7129 -161687.1788 -109518.7786 298.1952 171.2353 203.9013 760021.6483 21.2740 21.2506 PRESSURE: 2609600 -11.6773 45.4363 -39.0291 45.436 -259.282 23.801 -39.0288 23.802 102.187 GPRESSURE: 2609600 51.0737 46.2488 41.7114 11.4382 -229.405 76.7332 46.3688 30.5495 92.5511 PRESSAVG: 2609600 -29.8132 -51.6753 -73.7802 -51.6753 17.9782 2.32285 -73.7801 2.32279 -9.60035 GPRESSAVG: 2609600 -30.9353 -54.8025 -74.3103 -48.3591 18.0424 3.47519 -71.7623 3.86045 -8.81588 TIMING: 2609600 CPU: 8321.64, 0.0031326/step Wall: 8321.64, 0.0031326/step, 2.08005 hours remaining, 233.363281 MB of memory in use. ENERGY: 2609600 3985.5542 20628.0160 14458.5307 242.6952 -203417.1082 2656.5366 0.0000 0.0000 51653.1831 -109792.5923 296.8516 -161445.7754 -109434.0093 298.2550 -56.2576 -28.5934 762217.2085 -7.1451 -7.2362 PRESSURE: 2609800 164.672 -19.5122 -19.5684 -19.5126 -90.4389 23.6245 -19.5683 23.6242 -239.664 GPRESSURE: 2609800 154.782 58.5884 -94.5532 -24.9141 -5.64112 14.3734 -18.4638 7.96852 -218.54 PRESSAVG: 2609800 59.9231 -43.6301 -30.3469 -43.63 -56.4736 -41.7839 -30.3469 -41.784 28.6931 GPRESSAVG: 2609800 60.4557 -39.9552 -29.3823 -46.3691 -56.3937 -45.1059 -31.4549 -41.1875 27.7454 TIMING: 2609800 CPU: 8322.26, 0.0031278/step Wall: 8322.26, 0.0031278/step, 2.07669 hours remaining, 233.363281 MB of memory in use. ENERGY: 2609800 3941.4682 20411.2799 14521.4705 246.4369 -203492.0667 2445.7781 0.0000 0.0000 52027.7917 -109897.8415 299.0044 -161925.6332 -109533.1953 298.4923 -55.1439 -23.1330 759874.6735 10.7142 10.6024 PRESSURE: 2610000 91.7315 42.8835 -272.076 42.8829 -17.2981 -39.9344 -272.076 -39.9341 211.919 GPRESSURE: 2610000 73.2674 -104.95 -354.12 -26.8715 34.6345 -12.6589 -322.764 -145.298 259.962 PRESSAVG: 2610000 -10.9874 -4.51147 22.2374 -4.51151 18.1813 -19.7351 22.2374 -19.7352 -27.2644 GPRESSAVG: 2610000 -10.7376 -6.067 21.1743 -3.62915 17.1145 -19.6684 21.2044 -19.1234 -26.2399 TIMING: 2610000 CPU: 8322.89, 0.00312303/step Wall: 8322.89, 0.00312303/step, 2.07335 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2610000 4008.7273 20596.3817 14448.6269 248.7805 -203458.2118 2476.7714 0.0000 0.0000 52148.0423 -109530.8816 299.6955 -161678.9239 -109160.7306 298.9503 95.4507 122.6213 760567.3671 -6.6901 -6.6210 PRESSURE: 2610200 140.284 -132.443 -134.648 -132.443 -200.046 -153.478 -134.647 -153.478 -272.222 GPRESSURE: 2610200 74.916 -96.1183 -28.5816 -130.251 -112.248 -159.053 -184.091 -249.73 -209.304 PRESSAVG: 2610200 4.37919 -53.6185 -59.8616 -53.6185 -20.9568 -67.5716 -59.8616 -67.5716 20.291 GPRESSAVG: 2610200 3.95482 -53.1829 -58.8652 -52.894 -19.332 -66.661 -60.4793 -68.8694 19.7119 TIMING: 2610200 CPU: 8323.51, 0.00311161/step Wall: 8323.51, 0.00311161/step, 2.06559 hours remaining, 233.363281 MB of memory in use. ENERGY: 2610200 3928.4194 20769.0919 14433.5306 243.9973 -203234.0496 2446.7145 0.0000 0.0000 52103.1687 -109309.1272 299.4376 -161412.2959 -108958.8927 299.1148 -110.6614 -82.2120 761012.1377 1.2378 1.4449 PRESSURE: 2610400 77.6495 -31.2052 111.18 -31.2058 -101.799 -68.1722 111.18 -68.1717 -231.614 GPRESSURE: 2610400 88.5956 -69.4078 111.721 -115.277 -34.7337 -50.2577 -8.35817 -16.915 -221.517 PRESSAVG: 2610400 6.14499 12.7543 -70.3521 12.7543 -18.1673 38.7575 -70.3522 38.7575 11.9049 GPRESSAVG: 2610400 5.76769 11.6889 -70.1039 12.1457 -18.4209 38.6137 -67.8638 39.824 12.0994 TIMING: 2610400 CPU: 8324.13, 0.00310758/step Wall: 8324.13, 0.00310758/step, 2.06274 hours remaining, 233.363281 MB of memory in use. ENERGY: 2610400 3938.7955 20678.3044 14514.0376 240.1719 -203235.1615 2577.4011 0.0000 0.0000 52168.9450 -109117.5058 299.8156 -161286.4508 -108749.8985 300.4457 -85.2542 -55.8851 761908.5062 -0.0392 -0.1846 PRESSURE: 2610600 528.44 -16.1445 -59.8934 -16.1445 104.071 -22.2188 -59.8939 -22.22 258.328 GPRESSURE: 2610600 439.895 -47.7676 -60.3053 -76.0919 219.873 -22.8939 -145.726 66.4663 318.858 PRESSAVG: 2610600 -11.3948 -26.1816 -20.9634 -26.1815 -33.5708 26.9624 -20.9634 26.9624 9.48311 GPRESSAVG: 2610600 -10.5449 -25.3437 -23.0659 -25.9364 -34.2818 26.4393 -23.6175 25.9531 9.57302 TIMING: 2610600 CPU: 8324.76, 0.00312486/step Wall: 8324.76, 0.00312486/step, 2.07404 hours remaining, 233.363281 MB of memory in use. ENERGY: 2610600 3954.0257 20518.6313 14483.4918 240.2141 -203589.6162 3037.4478 0.0000 0.0000 52417.0527 -108938.7527 301.2415 -161355.8054 -108577.1706 300.3054 296.9463 326.2089 761664.9059 -11.8275 -11.7512 PRESSURE: 2610800 104.057 -111.342 -5.95648 -111.342 138.881 155.609 -5.95577 155.609 350.666 GPRESSURE: 2610800 163.946 -57.8679 31.1133 -145.438 205.39 162.379 133.931 23.5846 306.598 PRESSAVG: 2610800 -60.4891 -27.0859 -27.8209 -27.086 54.2033 9.88785 -27.8209 9.88785 20.5345 GPRESSAVG: 2610800 -62.399 -26.4492 -27.3669 -27.9631 56.1054 10.7645 -25.398 8.35742 20.6668 TIMING: 2610800 CPU: 8325.38, 0.00313146/step Wall: 8325.38, 0.00313146/step, 2.07825 hours remaining, 233.363281 MB of memory in use. ENERGY: 2610800 3922.5485 20585.8459 14536.2679 242.0740 -203381.1421 2759.0528 0.0000 0.0000 52347.8881 -108987.4650 300.8440 -161335.3532 -108611.2292 300.6988 197.8682 225.3115 761828.1087 4.7495 4.7911 PRESSURE: 2611000 -168.849 16.2606 209.299 16.2611 147.164 168.632 209.3 168.633 123.331 GPRESSURE: 2611000 -92.6022 39.9231 139.146 97.3853 145.336 102.084 128.349 108.732 143.682 PRESSAVG: 2611000 7.82213 -56.877 6.29037 -56.877 49.393 20.2816 6.29032 20.2816 -9.91203 GPRESSAVG: 2611000 10.5199 -57.8851 6.74097 -54.843 46.5431 19.1242 4.82736 21.2977 -10.2772 TIMING: 2611000 CPU: 8326.01, 0.00312182/step Wall: 8326.01, 0.00312182/step, 2.07167 hours remaining, 233.363281 MB of memory in use. ENERGY: 2611000 4042.0206 20589.2345 14599.8811 263.2967 -202850.4119 2408.7831 0.0000 0.0000 51993.6104 -108953.5855 298.8080 -160947.1959 -108589.1486 300.3688 33.8820 65.4721 759424.2379 15.7677 15.5953 PRESSURE: 2611200 -67.0506 -79.8747 -200.636 -79.8746 -175.439 -97.6439 -200.636 -97.6438 127.283 GPRESSURE: 2611200 -94.2682 -139.054 -140.321 -59.1823 -88.8831 -38.3627 -185.644 45.6219 151.888 PRESSAVG: 2611200 -1.59495 -13.5744 -15.5712 -13.5744 -57.2592 -2.86631 -15.5712 -2.86633 2.79388 GPRESSAVG: 2611200 -2.85235 -13.7615 -16.2675 -14.1322 -55.8797 -2.07641 -13.025 -1.94481 2.5594 TIMING: 2611200 CPU: 8326.63, 0.0031141/step Wall: 8326.63, 0.0031141/step, 2.06638 hours remaining, 233.363281 MB of memory in use. ENERGY: 2611200 3984.0149 20541.3583 14485.0632 249.5317 -203234.8081 2588.1512 0.0000 0.0000 52365.0958 -109021.5930 300.9429 -161386.6888 -108653.4709 300.8132 -38.4019 -10.4210 760144.8911 -18.6868 -18.7242 PRESSURE: 2611400 -42.8453 239.236 109.777 239.236 -42.9147 77.5727 109.778 77.5716 -379.391 GPRESSURE: 2611400 -33.3696 203.26 93.5909 51.7037 10.4283 21.1649 89.8409 170.99 -361.531 PRESSAVG: 2611400 -33.622 22.9747 -39.3106 22.9747 8.67259 -27.3303 -39.3107 -27.3303 17.0453 GPRESSAVG: 2611400 -33.3343 24.8428 -38.0913 19.7938 8.47558 -28.5488 -41.8435 -28.8083 17.106 TIMING: 2611400 CPU: 8327.25, 0.00310845/step Wall: 8327.25, 0.00310845/step, 2.06246 hours remaining, 233.363281 MB of memory in use. ENERGY: 2611400 4029.1318 20516.5024 14506.6309 257.4179 -202958.1810 2486.7477 0.0000 0.0000 52145.3615 -109016.3889 299.6801 -161161.7504 -108654.5601 300.1346 -155.0503 -128.1574 761371.3193 -2.6347 -2.5843 PRESSURE: 2611600 -133.187 -128.588 133.78 -128.588 -320.139 -25.7382 133.78 -25.7386 -12.1533 GPRESSURE: 2611600 -143.864 -68.7251 192.234 -93.264 -201.267 -25.819 49.6564 -71.5911 -27.1909 PRESSAVG: 2611600 -23.8369 -2.51374 85.7755 -2.5137 13.1553 22.7076 85.7755 22.7075 14.3664 GPRESSAVG: 2611600 -24.1988 -3.32362 85.7482 -1.09397 14.484 23.2259 86.0242 22.8057 13.9169 TIMING: 2611600 CPU: 8327.88, 0.00314367/step Wall: 8327.88, 0.00314367/step, 2.08565 hours remaining, 233.363281 MB of memory in use. ENERGY: 2611600 3876.9948 20520.1319 14526.3215 260.4077 -203224.9929 2669.9596 0.0000 0.0000 52409.7031 -108961.4743 301.1993 -161371.1774 -108605.1480 300.4039 -155.1598 -124.1072 762327.8602 1.2283 1.4007 PRESSURE: 2611800 -60.739 -99.3132 201.639 -99.3142 72.0378 -182.615 201.639 -182.614 20.8723 GPRESSURE: 2611800 45.885 -96.1795 262.584 -208.717 79.3408 -157.886 138.031 -213.497 0.171824 PRESSAVG: 2611800 20.856 -49.2669 6.86936 -49.2668 -4.08467 21.5585 6.86932 21.5585 6.47241 GPRESSAVG: 2611800 21.3512 -48.1052 6.86648 -49.67 -5.70294 22.4507 6.25078 21.5902 6.7606 TIMING: 2611800 CPU: 8328.51, 0.00312948/step Wall: 8328.51, 0.00312948/step, 2.07606 hours remaining, 233.363281 MB of memory in use. ENERGY: 2611800 3925.1493 20513.5551 14490.6225 253.9147 -203191.7447 2650.4534 0.0000 0.0000 52347.0147 -109011.0351 300.8390 -161358.0498 -108636.9139 300.1071 10.7237 41.7992 762138.3046 7.7479 7.4696 PRESSURE: 2612000 -107.101 4.35676 20.593 4.35607 487.609 -179.57 20.5924 -179.57 -50.6793 GPRESSURE: 2612000 -8.96668 -94.8532 -65.8275 -60.8362 476.413 -127.872 -39.1055 -20.9663 -39.2318 PRESSAVG: 2612000 -41.6888 -66.2128 55.5757 -66.2129 43.4235 -46.1107 55.5756 -46.1107 29.3905 GPRESSAVG: 2612000 -41.45 -69.2952 55.1341 -66.7066 43.3496 -47.9689 55.4995 -44.2533 29.5932 TIMING: 2612000 CPU: 8329.13, 0.00311917/step Wall: 8329.13, 0.00311917/step, 2.06905 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2612000 3968.9286 20398.3167 14510.1525 246.4391 -203176.9477 2410.8680 0.0000 0.0000 52539.3753 -109102.8674 301.9445 -161642.2428 -108730.4956 300.5001 109.9430 142.7382 761410.6708 10.3750 10.4976 PRESSURE: 2612200 274.802 -92.0313 -162.024 -92.0319 -18.5912 324.153 -162.024 324.153 12.546 GPRESSURE: 2612200 282.48 -117.391 -225.257 -27.9245 20.3937 246.641 -88.9826 302.59 62.1843 PRESSAVG: 2612200 -11.9767 -15.5212 22.3496 -15.5213 16.1462 -52.9259 22.3496 -52.9259 18.4856 GPRESSAVG: 2612200 -13.3707 -13.9028 21.3717 -16.5903 17.1764 -51.3875 23.9344 -54.4087 19.014 TIMING: 2612200 CPU: 8329.76, 0.00313033/step Wall: 8329.76, 0.00313033/step, 2.07628 hours remaining, 233.363281 MB of memory in use. ENERGY: 2612200 4006.3241 20493.0100 14522.0982 243.0707 -203670.3773 2890.0134 0.0000 0.0000 52404.4902 -109111.3706 301.1693 -161515.8608 -108745.2209 299.9015 89.5855 121.6860 760130.3769 7.5517 7.6066 LDB: ============= START OF LOAD BALANCING ============== 8342.17 LDB: ============== END OF LOAD BALANCING =============== 8342.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8342.18 LDB: ============= START OF LOAD BALANCING ============== 8342.49 LDB: Largest compute 7024 load 0.034794 is 17.8% of average load 0.195559 LDB: Average compute 0.004388 is 2.2% of average load 0.195559 LDB: TIME 8342.49 LOAD: AVG 0.195559 MAX 0.214842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.594 MB LDB: TIME 8342.49 LOAD: AVG 0.195559 MAX 0.214842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: TIME 8342.49 LOAD: AVG 0.195559 MAX 0.214842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.594 MB LDB: ============== END OF LOAD BALANCING =============== 8342.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8342.5 PRESSURE: 2612400 -74.5089 130.249 16.8801 130.249 29.5593 -46.6314 16.8805 -46.631 37.3099 GPRESSURE: 2612400 18.2148 104.833 35.8526 87.9647 16.117 -61.829 6.55583 -94.7806 40.7675 PRESSAVG: 2612400 50.6008 2.10639 17.4408 2.10639 -10.6125 -14.4366 17.4408 -14.4366 -1.58186 GPRESSAVG: 2612400 50.9399 1.74779 19.623 5.30511 -12.6032 -15.6702 15.0207 -15.2463 -0.77499 TIMING: 2612400 CPU: 8330.39, 0.00319067/step Wall: 8330.39, 0.00319067/step, 2.11612 hours remaining, 233.683594 MB of memory in use. ENERGY: 2612400 4053.9678 20501.7529 14531.5807 253.9731 -203061.3253 2336.9846 0.0000 0.0000 52157.1036 -109225.9625 299.7476 -161383.0661 -108868.7029 300.0457 -2.5466 25.0331 760570.3772 12.8022 12.5206 PRESSURE: 2612600 -21.8491 170.172 -57.3144 170.174 -189.26 -148.5 -57.3141 -148.5 430.927 GPRESSURE: 2612600 -13.844 56.4898 -36.8562 304.554 -120.266 -192.38 -78.0587 -47.9583 442.354 PRESSAVG: 2612600 -22.3207 -30.701 -20.8767 -30.701 -28.3694 -31.2689 -20.8766 -31.2689 6.5154 GPRESSAVG: 2612600 -22.7969 -30.641 -21.25 -30.1784 -27.8047 -30.3574 -19.7302 -31.3347 6.33528 TIMING: 2612600 CPU: 8331.02, 0.00312244/step Wall: 8331.02, 0.00312244/step, 2.0707 hours remaining, 233.695312 MB of memory in use. ENERGY: 2612600 3949.8223 20787.1691 14445.8142 236.2013 -203020.5621 2358.1329 0.0000 0.0000 52064.2205 -109179.2018 299.2138 -161243.4223 -108821.2791 299.6372 73.2724 102.7477 761946.2748 -14.7249 -14.7555 PRESSURE: 2612800 196.986 -21.2321 84.0911 -21.2322 -235.645 119.751 84.0914 119.75 -115.115 GPRESSURE: 2612800 223.603 -56.8634 134.872 -131.361 -169.902 3.20574 110.225 122.969 -127.176 PRESSAVG: 2612800 17.7295 13.2155 2.25538 13.2155 -41.1776 -1.64803 2.25536 -1.64801 -0.807168 GPRESSAVG: 2612800 17.3723 11.8828 2.55736 11.723 -40.6941 -0.970644 1.02243 -0.517083 -1.67835 TIMING: 2612800 CPU: 8331.65, 0.00314473/step Wall: 8331.65, 0.00314473/step, 2.0853 hours remaining, 233.695312 MB of memory in use. ENERGY: 2612800 3971.9162 20659.3861 14540.2558 236.6611 -203421.6474 2589.5174 0.0000 0.0000 52224.8885 -109199.0225 300.1372 -161423.9110 -108844.1340 300.4579 -51.2580 -24.4916 761664.1070 -8.0851 -8.3334 PRESSURE: 2613000 -265.02 270.026 149.266 270.026 -48.8644 313.515 149.266 313.515 0.138976 GPRESSURE: 2613000 -189.345 198.572 181.596 175.839 6.52796 259.156 163.491 374.387 -26.2581 PRESSAVG: 2613000 75.6407 -3.43876 27.7963 -3.43877 -71.1285 -5.03456 27.7963 -5.03458 6.97408 GPRESSAVG: 2613000 75.9793 -1.87143 27.3534 -4.15302 -70.8201 -4.29071 29.7186 -7.97469 6.86539 TIMING: 2613000 CPU: 8332.28, 0.00314534/step Wall: 8332.28, 0.00314534/step, 2.08554 hours remaining, 233.695312 MB of memory in use. ENERGY: 2613000 3974.9099 20634.3636 14490.8162 239.2619 -203183.7923 2484.0965 0.0000 0.0000 52255.1075 -109105.2369 300.3108 -161360.3443 -108754.1617 299.5712 -104.5818 -69.6917 762210.8881 3.8287 4.0082 PRESSURE: 2613200 -130.124 153.443 139.135 153.443 99.7146 101.604 139.134 101.603 112.863 GPRESSURE: 2613200 -125.15 117.158 178.596 236.51 83.6817 136.999 65.128 75.8719 209.211 PRESSAVG: 2613200 15.4435 -29.7206 22.683 -29.7206 42.5587 26.7816 22.683 26.7816 -15.7263 GPRESSAVG: 2613200 16.1584 -29.4001 23.0079 -28.7757 41.5071 26.9839 20.405 27.7662 -16.2326 TIMING: 2613200 CPU: 8332.91, 0.00315714/step Wall: 8332.91, 0.00315714/step, 2.09318 hours remaining, 233.695312 MB of memory in use. ENERGY: 2613200 4022.3343 20618.5112 14531.5951 254.1145 -203368.3319 2553.8930 0.0000 0.0000 52118.8205 -109269.0633 299.5276 -161387.8838 -108905.1452 300.1613 27.4842 55.9141 761202.4981 14.0920 13.8110 PRESSURE: 2613400 193.636 120.295 -103.241 120.295 181.585 -76.2383 -103.241 -76.2382 -1.66604 GPRESSURE: 2613400 254.398 -65.8199 -71.7768 87.035 162.508 6.06223 -126.706 -50.1233 39.2324 PRESSAVG: 2613400 43.8046 16.7838 95.9203 16.7838 3.23344 56.8409 95.9203 56.8408 -7.19302 GPRESSAVG: 2613400 43.3376 14.9718 93.5024 15.8 3.94368 57.1598 95.79 58.1211 -7.65269 TIMING: 2613400 CPU: 8333.53, 0.0031318/step Wall: 8333.53, 0.0031318/step, 2.07621 hours remaining, 233.695312 MB of memory in use. ENERGY: 2613400 3948.0670 20706.6184 14555.3992 281.9961 -203193.1430 2553.9281 0.0000 0.0000 51816.2997 -109330.8345 297.7890 -161147.1342 -108967.0125 299.5663 124.5184 152.0463 760541.1050 13.2817 13.2095 PRESSURE: 2613600 -209.334 -155.449 244.691 -155.449 -195.814 45.5267 244.691 45.5263 -270.242 GPRESSURE: 2613600 -146.225 -171.281 176.419 -42.7103 -257.206 8.94362 303.362 -115.618 -181.93 PRESSAVG: 2613600 -18.4369 25.8351 -29.7291 25.8352 6.9468 -6.21989 -29.7291 -6.21984 18.7665 GPRESSAVG: 2613600 -18.4676 26.071 -28.0969 26.631 6.70005 -7.04531 -28.51 -5.77503 19.0578 TIMING: 2613600 CPU: 8334.17, 0.00316552/step Wall: 8334.17, 0.00316552/step, 2.09839 hours remaining, 233.695312 MB of memory in use. ENERGY: 2613600 3998.7958 20605.7370 14580.5723 247.7246 -203028.9994 2281.1362 0.0000 0.0000 52127.5394 -109187.4941 299.5777 -161315.0335 -108818.9070 300.0999 -225.1301 -195.1204 761637.3835 2.4254 2.4301 PRESSURE: 2613800 -19.5323 -117.692 -282.608 -117.692 192.099 -71.4571 -282.607 -71.4565 -271.076 GPRESSURE: 2613800 56.647 -51.0308 -307.323 -133.13 207.643 -55.1453 -280.834 -30.7829 -278.754 PRESSAVG: 2613800 34.9616 -2.15111 -27.956 -2.15107 -24.6778 41.7437 -27.956 41.7436 -10.5172 GPRESSAVG: 2613800 34.3331 0.0223169 -28.2615 -1.9619 -24.6154 41.1056 -27.7511 42.0304 -10.5437 TIMING: 2613800 CPU: 8334.8, 0.00314253/step Wall: 8334.8, 0.00314253/step, 2.08297 hours remaining, 233.695312 MB of memory in use. ENERGY: 2613800 3947.3955 20600.9215 14561.2295 258.6388 -203472.1915 2614.8935 0.0000 0.0000 52089.7888 -109399.3240 299.3607 -161489.1128 -109027.4298 300.3008 -32.8363 -4.8216 760219.2604 -0.0778 -0.2753 PRESSURE: 2614000 -455.07 -3.12618 -148.763 -3.12691 -490.198 102.701 -148.764 102.7 -86.5926 GPRESSURE: 2614000 -341.735 3.28336 -187.557 -11.5015 -438.717 93.7828 -130.267 108.85 -170.84 PRESSAVG: 2614000 7.15896 -5.6282 -36.2124 -5.62819 -29.189 -32.1803 -36.2124 -32.1804 3.86478 GPRESSAVG: 2614000 7.89202 -5.77148 -35.6444 -4.81996 -28.1685 -31.6752 -38.706 -32.8688 2.99755 TIMING: 2614000 CPU: 8335.42, 0.00313849/step Wall: 8335.42, 0.00313849/step, 2.08012 hours remaining, 233.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2614000 4031.0700 20654.7794 14603.4956 251.0078 -203116.5284 2086.7000 0.0000 0.0000 51962.1390 -109527.3365 298.6271 -161489.4755 -109173.5224 299.5154 -343.9535 -317.0976 762309.5812 -6.0551 -5.7597 PRESSURE: 2614200 200.068 -197.637 -86.4107 -197.636 -14.3694 173.401 -86.4102 173.4 -446.485 GPRESSURE: 2614200 239.706 -93.9066 -74.6682 -179.34 -53.924 154.418 -73.0237 175.978 -357.563 PRESSAVG: 2614200 26.5642 -60.749 -38.946 -60.749 11.4812 77.1218 -38.9461 77.1218 0.364153 GPRESSAVG: 2614200 26.7334 -61.512 -38.2242 -61.6353 10.4185 76.719 -39.1119 76.3815 1.19787 TIMING: 2614200 CPU: 8336.05, 0.00311602/step Wall: 8336.05, 0.00311602/step, 2.06506 hours remaining, 233.695312 MB of memory in use. ENERGY: 2614200 4024.3899 20523.9607 14555.1358 239.9734 -203542.0411 2460.0891 0.0000 0.0000 52376.6959 -109361.7963 301.0096 -161738.4922 -108991.2161 299.8260 -86.9288 -57.2602 760932.6392 12.8032 12.7832 PRESSURE: 2614400 -19.2274 -72.7968 -15.7451 -72.7973 -97.9253 -194.323 -15.7448 -194.323 175.024 GPRESSURE: 2614400 -10.9827 -196.398 -127.485 -128.543 -15.568 -233.454 -34.8018 -39.2141 172.693 PRESSAVG: 2614400 31.9336 -59.475 17.7164 -59.4749 0.223529 45.4788 17.7164 45.4788 -43.4683 GPRESSAVG: 2614400 31.1375 -60.4372 17.7356 -57.5652 1.44141 44.981 20.6648 48.9676 -44.3612 TIMING: 2614400 CPU: 8336.67, 0.00313415/step Wall: 8336.67, 0.00313415/step, 2.07689 hours remaining, 233.695312 MB of memory in use. ENERGY: 2614400 4036.6822 20414.7740 14524.2825 242.2887 -203432.6851 2351.3058 0.0000 0.0000 52327.4036 -109535.9482 300.7263 -161863.3518 -109170.3094 299.9901 19.2903 48.7142 761551.0413 -3.7704 -3.9274 PRESSURE: 2614600 128.743 -19.0771 7.93819 -19.0771 -85.7489 -50.5349 7.93898 -50.5357 -168.45 GPRESSURE: 2614600 93.1564 -12.0892 11.8037 -54.4919 -64.9681 -61.4318 -46.4105 -75.3371 -60.1735 PRESSAVG: 2614600 54.0193 -20.2576 7.44808 -20.2577 -21.5078 -18.4957 7.44803 -18.4957 -15.8216 GPRESSAVG: 2614600 53.8474 -20.5572 7.7895 -23.3251 -22.562 -17.5893 6.60199 -22.7762 -14.5718 TIMING: 2614600 CPU: 8337.3, 0.0031414/step Wall: 8337.3, 0.0031414/step, 2.08153 hours remaining, 233.695312 MB of memory in use. ENERGY: 2614600 4029.1837 20473.4043 14642.5791 247.8867 -203192.2991 2415.2021 0.0000 0.0000 51632.0898 -109751.9535 296.7303 -161384.0432 -109395.8423 299.0039 -41.8187 -10.6618 760760.1268 5.5633 5.5712 PRESSURE: 2614800 108.03 -41.7905 -12.6469 -41.7908 -40.5825 -3.66451 -12.6462 -3.66525 132.647 GPRESSURE: 2614800 90.6937 -10.7604 -93.3759 2.46393 62.8019 36.3105 28.9832 118.267 138.945 PRESSAVG: 2614800 61.3817 -39.9931 -0.691382 -39.9931 -42.0766 27.7399 -0.691389 27.7399 -10.4724 GPRESSAVG: 2614800 61.5142 -37.4323 -0.0351396 -39.7131 -41.4505 27.0849 -2.23014 30.414 -11.0144 TIMING: 2614800 CPU: 8337.93, 0.00312448/step Wall: 8337.93, 0.00312448/step, 2.07014 hours remaining, 233.695312 MB of memory in use. ENERGY: 2614800 4044.5076 20563.4906 14508.8581 261.6010 -204050.5421 2859.8956 0.0000 0.0000 52056.1828 -109756.0063 299.1676 -161812.1892 -109398.6314 298.6101 66.6981 97.4804 759940.0320 2.9442 3.0164 PRESSURE: 2615000 163.158 -275.72 -70.1147 -275.72 241.416 -48.486 -70.1152 -48.4872 287.283 GPRESSURE: 2615000 182.022 -115.066 -72.7395 -175.773 248.254 -31.7282 -310.598 47.2034 337.125 PRESSAVG: 2615000 55.9116 -18.6081 14.4025 -18.6081 -47.8088 3.47777 14.4024 3.47779 3.34592 GPRESSAVG: 2615000 56.1646 -18.5815 14.6298 -17.2385 -48.0119 5.12401 13.1447 2.12022 4.01789 TIMING: 2615000 CPU: 8338.55, 0.00312497/step Wall: 8338.55, 0.00312497/step, 2.07029 hours remaining, 233.695312 MB of memory in use. ENERGY: 2615000 3935.8766 20757.2802 14450.8263 242.1134 -203395.6474 2474.7247 0.0000 0.0000 51872.7313 -109662.0949 298.1133 -161534.8262 -109302.9610 298.8105 230.6189 255.8005 758847.2276 3.8163 4.0569 PRESSURE: 2615200 68.9916 -71.6808 -49.1275 -71.6803 -307.591 76.6985 -49.1278 76.6991 -45.361 GPRESSURE: 2615200 3.97013 -66.0496 -71.4028 41.5454 -173.014 75.2363 -8.26127 53.4134 -23.0449 PRESSAVG: 2615200 43.4067 -40.3314 11.662 -40.3313 10.5798 15.389 11.6621 15.3889 38.2406 GPRESSAVG: 2615200 44.7079 -41.5768 9.85446 -39.987 9.78244 14.1995 11.9491 15.3558 38.0045 TIMING: 2615200 CPU: 8339.18, 0.00314398/step Wall: 8339.18, 0.00314398/step, 2.08271 hours remaining, 233.695312 MB of memory in use. ENERGY: 2615200 3966.9122 20473.7895 14523.3947 252.2100 -203361.7433 2393.6865 0.0000 0.0000 52267.0672 -109484.6831 300.3796 -161751.7502 -109122.4777 299.0981 -94.6535 -64.0295 759620.0229 30.7424 30.8316 PRESSURE: 2615400 -28.0448 -373.129 -69.3185 -373.129 -242.628 39.7177 -69.3191 39.7196 354.256 GPRESSURE: 2615400 60.7295 -267.177 -43.3238 -326.034 -155.078 -2.76488 -57.0074 88.9972 274.45 PRESSAVG: 2615400 111.675 -9.68058 -0.0606972 -9.68061 -77.6911 -27.9346 -0.0607361 -27.9346 8.16579 GPRESSAVG: 2615400 112.254 -8.58641 -0.839976 -9.2052 -77.6371 -27.8245 1.28991 -28.8372 7.47006 TIMING: 2615400 CPU: 8339.8, 0.00311657/step Wall: 8339.8, 0.00311657/step, 2.06438 hours remaining, 233.695312 MB of memory in use. ENERGY: 2615400 4017.0340 20506.8450 14476.4511 244.2589 -203215.4562 2395.3344 0.0000 0.0000 52250.8086 -109324.7241 300.2861 -161575.5327 -108954.8924 300.0387 27.8611 60.0338 760230.1294 14.0499 14.0291 PRESSURE: 2615600 -399.481 -169.155 -28.4945 -169.155 -408.528 283.243 -28.4958 283.243 165.695 GPRESSURE: 2615600 -303.021 -125.973 17.6855 -237.362 -333.015 295.004 -124.284 232.557 94.6758 PRESSAVG: 2615600 46.0655 -25.3607 -51.667 -25.3607 -76.8712 16.2846 -51.667 16.2847 16.6955 GPRESSAVG: 2615600 44.8581 -27.8239 -50.8876 -25.6076 -75.2923 15.9124 -50.6098 17.6375 16.4773 TIMING: 2615600 CPU: 8340.43, 0.00311919/step Wall: 8340.43, 0.00311919/step, 2.06594 hours remaining, 233.695312 MB of memory in use. ENERGY: 2615600 4114.4718 20509.8199 14605.8128 240.9742 -203301.5251 2413.3566 0.0000 0.0000 52056.0197 -109361.0701 299.1667 -161417.0897 -108994.1638 299.7122 -214.1047 -180.4533 760809.4692 -4.7034 -4.6523 PRESSURE: 2615800 -149.636 -86.3623 -225.853 -86.3622 106.761 129.247 -225.853 129.247 394.581 GPRESSURE: 2615800 -39.4441 -120.234 -215.339 -108.667 79.9163 109.533 -88.7537 58.2622 414.76 PRESSAVG: 2615800 31.7148 -31.3479 -37.0185 -31.3478 2.03576 85.3912 -37.0185 85.3913 9.51936 GPRESSAVG: 2615800 32.2595 -30.9775 -37.0112 -33.1899 1.0689 84.8845 -36.6632 86.1667 10.1519 TIMING: 2615800 CPU: 8341.05, 0.00313146/step Wall: 8341.05, 0.00313146/step, 2.07389 hours remaining, 233.695312 MB of memory in use. ENERGY: 2615800 3965.4773 20525.0079 14521.6286 232.1026 -203470.7717 2591.2222 0.0000 0.0000 52128.6078 -109506.7253 299.5838 -161635.3331 -109146.3839 299.8336 117.2350 151.7442 760113.1975 14.4233 14.4934 PRESSURE: 2616000 147.062 -224.446 150.848 -224.446 -164.033 -19.6711 150.848 -19.6708 -228.804 GPRESSURE: 2616000 199.616 -119.778 141.471 -263.014 -129.585 46.3568 88.9771 -11.6298 -245.238 PRESSAVG: 2616000 61.8551 -51.995 -36.6011 -51.9949 -28.3662 32.0476 -36.6011 32.0476 13.5693 GPRESSAVG: 2616000 61.5168 -50.993 -36.7278 -50.8035 -28.8681 33.0842 -39.5728 28.9215 14.0117 TIMING: 2616000 CPU: 8341.68, 0.00312913/step Wall: 8341.68, 0.00312913/step, 2.07218 hours remaining, 233.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2616000 3927.3921 20611.1689 14549.9025 242.6083 -203108.7971 2453.9787 0.0000 0.0000 51742.2445 -109581.5021 297.3634 -161323.7466 -109223.3994 299.1801 -81.9251 -58.4024 760369.8457 15.6861 15.5534 PRESSURE: 2616200 -355.337 164.533 21.0817 164.533 157.004 -301.044 21.0805 -301.044 -324.519 GPRESSURE: 2616200 -299.882 144.491 13.5122 149.804 163.327 -252.654 -50.6245 -304.012 -281.991 PRESSAVG: 2616200 1.38738 -26.5278 15.6951 -26.5277 -3.80432 11.4388 15.6951 11.4388 -13.2714 GPRESSAVG: 2616200 0.589071 -28.2283 15.5324 -25.5658 -2.68967 10.5392 15.6224 13.0132 -13.6602 TIMING: 2616200 CPU: 8342.31, 0.00313558/step Wall: 8342.31, 0.00313558/step, 2.07628 hours remaining, 233.695312 MB of memory in use. ENERGY: 2616200 3969.2958 20542.9971 14552.9112 264.8174 -203183.6352 2287.8482 0.0000 0.0000 52221.4273 -109344.3382 300.1173 -161565.7655 -108979.4149 299.5706 -174.2839 -139.5149 761208.6518 -5.2294 -5.2536 LDB: ============= START OF LOAD BALANCING ============== 8354.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8354.73 LDB: =============== DONE WITH MIGRATION ================ 8354.73 LDB: ============= START OF LOAD BALANCING ============== 8355.04 LDB: Largest compute 7063 load 0.032254 is 16.5% of average load 0.195540 LDB: Average compute 0.004384 is 2.2% of average load 0.195540 LDB: TIME 8355.04 LOAD: AVG 0.19554 MAX 0.215835 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.199 MB LDB: TIME 8355.04 LOAD: AVG 0.19554 MAX 0.215835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: TIME 8355.04 LOAD: AVG 0.19554 MAX 0.215835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: ============== END OF LOAD BALANCING =============== 8355.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8355.05 PRESSURE: 2616400 243.84 -337.641 -9.45426 -337.641 334.987 -155.601 -9.45432 -155.601 10.2125 GPRESSURE: 2616400 215.733 -399.879 -27.2478 -184.275 349.064 -59.2946 -92.9915 -183.576 119.607 PRESSAVG: 2616400 57.662 -28.2602 -53.3403 -28.2602 -34.215 -27.77 -53.3402 -27.7701 23.8022 GPRESSAVG: 2616400 58.4521 -27.5753 -53.3646 -29.6293 -34.8892 -27.1712 -51.7441 -29.2898 23.2436 TIMING: 2616400 CPU: 8342.94, 0.00318699/step Wall: 8342.94, 0.00318699/step, 2.11014 hours remaining, 234.710938 MB of memory in use. ENERGY: 2616400 3968.3367 20620.5859 14503.1088 261.3317 -203441.1380 2608.5869 0.0000 0.0000 52161.5350 -109317.6529 299.7731 -161479.1880 -108964.3138 299.6664 196.3465 228.1346 759933.5920 15.7497 15.6022 PRESSURE: 2616600 -84.1986 23.8162 60.1502 23.8169 -164.19 -7.19312 60.1497 -7.19373 -44.2398 GPRESSURE: 2616600 -129.462 163.544 -47.5637 -49.514 -51.8634 -27.0497 76.497 -46.6167 -29.6241 PRESSAVG: 2616600 36.8535 -25.525 -9.14212 -25.525 -58.608 19.913 -9.14208 19.913 12.1073 GPRESSAVG: 2616600 35.9984 -24.8081 -10.3469 -25.5656 -58.1984 18.2264 -8.09076 22.3211 12.1643 TIMING: 2616600 CPU: 8343.57, 0.00312288/step Wall: 8343.57, 0.00312288/step, 2.06752 hours remaining, 234.914062 MB of memory in use. ENERGY: 2616600 3948.5805 20455.1946 14433.5986 223.4801 -203142.4185 2399.2986 0.0000 0.0000 52276.5293 -109405.7368 300.4339 -161682.2661 -109046.1432 299.1124 -97.5429 -70.3164 760458.9365 -3.2157 -3.3453 PRESSURE: 2616800 26.7278 -25.2429 77.9595 -25.2427 117.931 44.7181 77.9605 44.7179 69.299 GPRESSURE: 2616800 53.8826 -25.1543 25.2674 -150.621 136.828 130.582 214.366 32.3625 103.783 PRESSAVG: 2616800 43.3591 -24.3948 -41.6873 -24.3947 -14.5079 25.796 -41.6873 25.7961 -0.496729 GPRESSAVG: 2616800 42.7583 -25.7507 -40.3824 -24.9444 -13.7712 27.748 -42.8337 23.4193 -0.327449 TIMING: 2616800 CPU: 8344.19, 0.00311828/step Wall: 8344.19, 0.00311828/step, 2.0643 hours remaining, 234.914062 MB of memory in use. ENERGY: 2616800 3975.1127 20449.2875 14497.4295 240.6837 -203543.3001 2650.6520 0.0000 0.0000 52139.0162 -109591.1186 299.6436 -161730.1348 -109223.1069 298.9832 71.3193 98.1644 761213.5249 9.4515 9.5532 PRESSURE: 2617000 160.927 -225.603 213.385 -225.604 43.5245 133.529 213.385 133.529 80.6049 GPRESSURE: 2617000 260.329 -292.671 241.863 -151.281 38.899 42.058 155.324 208.449 64.0045 PRESSAVG: 2617000 -20.3431 -16.1036 -25.767 -16.1037 25.4403 -15.2521 -25.767 -15.2521 -15.7095 GPRESSAVG: 2617000 -18.3727 -15.2616 -25.9372 -16.0368 24.5785 -16.0165 -24.8891 -12.1622 -16.994 TIMING: 2617000 CPU: 8344.82, 0.00314719/step Wall: 8344.82, 0.00314719/step, 2.08326 hours remaining, 234.914062 MB of memory in use. ENERGY: 2617000 3967.5913 20620.4864 14459.4862 253.7426 -203117.8809 2248.9326 0.0000 0.0000 52083.0252 -109484.6166 299.3219 -161567.6418 -109127.7544 299.3195 95.0188 121.0774 761455.0152 -3.5374 -3.5961 PRESSURE: 2617200 -46.8465 -8.08837 -201.993 -8.08778 -425.563 -16.157 -201.993 -16.1577 358.792 GPRESSURE: 2617200 -57.1437 -34.8695 -187.161 32.4666 -326.078 -30.7824 -116.744 -117.009 359.87 PRESSAVG: 2617200 -6.49106 -45.6552 -4.58409 -45.6553 -4.70142 40.121 -4.58405 40.121 10.7616 GPRESSAVG: 2617200 -7.4743 -46.2784 -4.19144 -45.1695 -4.53529 41.2284 -4.90637 38.7446 11.9492 TIMING: 2617200 CPU: 8345.45, 0.00314947/step Wall: 8345.45, 0.00314947/step, 2.0846 hours remaining, 234.914062 MB of memory in use. ENERGY: 2617200 3981.3632 20507.8059 14573.9730 251.4187 -203345.1133 2574.2992 0.0000 0.0000 51918.4131 -109537.8402 298.3758 -161456.2533 -109177.2073 298.6931 -37.8724 -7.7841 761447.2338 -0.1436 -0.0201 PRESSURE: 2617400 10.5358 106.675 -162.912 106.676 -53.7386 -130.885 -162.911 -130.885 59.952 GPRESSURE: 2617400 73.8624 50.2339 -217.048 13.9091 34.0674 -127.99 -13.6929 -220.828 16.9189 PRESSAVG: 2617400 -24.5082 9.73389 -10.9051 9.73404 -29.955 26.4079 -10.9051 26.4078 -16.3602 GPRESSAVG: 2617400 -23.534 8.96422 -12.4345 7.86763 -30.4342 24.5831 -10.3983 26.6985 -16.0318 TIMING: 2617400 CPU: 8346.08, 0.00314066/step Wall: 8346.08, 0.00314066/step, 2.0786 hours remaining, 234.914062 MB of memory in use. ENERGY: 2617400 3888.8303 20341.9191 14555.8726 252.7109 -203398.6585 2479.5261 0.0000 0.0000 52387.8471 -109491.9524 301.0737 -161879.7995 -109118.4193 299.2390 5.5831 41.6162 760224.3254 -23.6078 -23.3333 PRESSURE: 2617600 230.605 -58.8885 -226.361 -58.8879 -24.2259 37.2665 -226.361 37.2664 -230.034 GPRESSURE: 2617600 223.949 -159.185 -153.779 0.339302 5.5254 68.8126 -200.966 26.164 -180.32 PRESSAVG: 2617600 -11.4965 12.1152 -7.67334 12.1153 23.2528 20.296 -7.67333 20.296 -1.83211 GPRESSAVG: 2617600 -13.0016 10.6668 -8.06074 13.6471 21.9414 21.0389 -8.19753 21.1241 -0.126355 TIMING: 2617600 CPU: 8346.71, 0.00314732/step Wall: 8346.71, 0.00314732/step, 2.08283 hours remaining, 234.914062 MB of memory in use. ENERGY: 2617600 4037.4094 20421.7390 14525.5319 257.8204 -203163.9127 2537.2356 0.0000 0.0000 52139.7175 -109244.4590 299.6477 -161384.1765 -108866.3892 299.3650 -7.8849 16.3849 761990.6601 3.3081 2.9378 PRESSURE: 2617800 -83.7661 -17.5706 -18.6952 -17.5701 -283.438 116.442 -18.696 116.44 208.562 GPRESSURE: 2617800 21.2016 -64.0541 7.15472 -33.0348 -237.86 49.3166 73.5209 142.967 133.882 PRESSAVG: 2617800 -26.4181 -19.6373 -17.6018 -19.6373 20.7676 35.0787 -17.6018 35.0787 -6.93239 GPRESSAVG: 2617800 -24.6117 -18.3765 -15.9963 -20.4741 21.227 35.6578 -16.9134 32.7802 -9.48855 TIMING: 2617800 CPU: 8347.34, 0.00313591/step Wall: 8347.34, 0.00313591/step, 2.0751 hours remaining, 234.914062 MB of memory in use. ENERGY: 2617800 4013.0827 20512.4885 14501.0784 251.0915 -203160.1556 2510.9077 0.0000 0.0000 52077.3923 -109294.1146 299.2895 -161371.5069 -108925.7017 299.5891 -52.8805 -27.5920 760016.1901 -4.1943 -4.2911 PRESSURE: 2618000 147.221 5.46428 -16.9022 5.46481 34.3887 -16.2934 -16.9018 -16.2926 -21.4155 GPRESSURE: 2618000 165.943 141.458 98.7322 -118.847 72.6442 71.0635 -59.4619 -8.06413 6.66525 PRESSAVG: 2618000 23.2235 -7.06887 19.3045 -7.06885 -46.6717 24.0299 19.3045 24.0299 -29.5208 GPRESSAVG: 2618000 22.6307 -5.18114 17.0192 -7.87963 -46.4172 24.3205 16.5767 24.5705 -28.7606 TIMING: 2618000 CPU: 8347.96, 0.00311654/step Wall: 8347.96, 0.00311654/step, 2.06211 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 4009.7139 20657.3218 14518.5932 259.9890 -203245.7096 2302.5556 0.0000 0.0000 52169.3521 -109328.1840 299.8180 -161497.5361 -108972.7140 299.3383 53.3982 81.7508 761309.2151 -17.6564 -17.5157 PRESSURE: 2618200 82.6367 57.4177 19.3789 57.4183 -76.4779 132.727 19.3791 132.727 -362.569 GPRESSURE: 2618200 64.5974 -52.292 1.53477 26.0167 -60.7649 157.219 -19.6437 106.733 -298.393 PRESSAVG: 2618200 91.0982 -21.5017 -26.1211 -21.5017 -9.94709 30.1653 -26.1211 30.1652 0.398858 GPRESSAVG: 2618200 90.9003 -23.5502 -23.3465 -19.9003 -9.90751 29.4253 -23.9558 30.6238 0.945401 TIMING: 2618200 CPU: 8348.58, 0.00311437/step Wall: 8348.58, 0.00311437/step, 2.0605 hours remaining, 234.914062 MB of memory in use. ENERGY: 2618200 4041.8584 20636.9765 14628.6457 251.0194 -203566.9300 2503.6631 0.0000 0.0000 52239.7651 -109265.0018 300.2226 -161504.7669 -108905.2654 299.6103 -118.8035 -98.1868 760277.7226 27.1833 27.3127 PRESSURE: 2618400 -111.615 -15.3853 430.443 -15.3851 24.0971 -29.4792 430.444 -29.4803 158.578 GPRESSURE: 2618400 -59.8854 -16.0101 332.483 77.3366 -12.0015 -40.7053 262.616 111.745 231.469 PRESSAVG: 2618400 14.4497 -16.6334 29.8863 -16.6333 -5.46394 37.8076 29.8864 37.8076 -9.61647 GPRESSAVG: 2618400 14.4735 -16.4093 29.2148 -15.694 -5.13488 40.6126 26.3216 37.1645 -9.342 TIMING: 2618400 CPU: 8349.21, 0.00311944/step Wall: 8349.21, 0.00311944/step, 2.06368 hours remaining, 234.914062 MB of memory in use. ENERGY: 2618400 4042.4064 20583.7857 14523.0458 251.4059 -203085.4195 2516.6040 0.0000 0.0000 52017.7611 -109150.4106 298.9468 -161168.1718 -108802.0731 300.0437 23.6866 53.1939 760534.9523 -0.2102 -0.0011 PRESSURE: 2618600 47.1613 20.3506 -65.9215 20.3509 -210.818 80.7933 -65.9211 80.7929 -49.0251 GPRESSURE: 2618600 107.199 -62.286 20.1192 70.9874 -226.473 91.484 -144.01 38.1967 -10.1189 PRESSAVG: 2618600 11.0471 3.14356 7.58108 3.14357 20.6895 15.7307 7.58116 15.7307 -3.61872 GPRESSAVG: 2618600 11.3382 3.71658 8.62735 0.693881 21.5695 13.2432 8.71156 17.3131 -5.30256 TIMING: 2618600 CPU: 8349.84, 0.00314256/step Wall: 8349.84, 0.00314256/step, 2.0788 hours remaining, 234.914062 MB of memory in use. ENERGY: 2618600 3965.3632 20496.7906 14604.6450 224.5281 -202827.9481 2238.2312 0.0000 0.0000 52139.6252 -109158.7648 299.6471 -161298.3901 -108803.3740 299.8370 -70.8941 -43.1311 761913.9020 9.3726 9.2017 PRESSURE: 2618800 -222.045 73.5241 154.224 73.5241 111.303 -12.8549 154.224 -12.8554 94.8056 GPRESSURE: 2618800 -156.735 7.52068 64.8023 -50.922 140.894 -89.7471 228.194 217.795 103.755 PRESSAVG: 2618800 12.4116 -44.3118 -25.0279 -44.3119 -24.3581 49.3876 -25.028 49.3876 6.62221 GPRESSAVG: 2618800 12.01 -43.279 -26.3333 -45.4183 -24.5279 49.4892 -22.2993 48.154 7.84777 TIMING: 2618800 CPU: 8350.46, 0.00312886/step Wall: 8350.46, 0.00312886/step, 2.06957 hours remaining, 234.914062 MB of memory in use. ENERGY: 2618800 3953.3603 20646.2781 14501.2932 235.8515 -202895.7066 2452.6308 0.0000 0.0000 52024.9507 -109081.3420 298.9881 -161106.2926 -108716.7977 299.5786 -5.3119 29.3046 762188.9475 -1.7748 -1.5567 PRESSURE: 2619000 247.8 -96.7404 90.7523 -96.7405 -8.45134 -16.1133 90.752 -16.1141 336.958 GPRESSURE: 2619000 235.083 -121.75 131.247 -85.4561 108.016 -73.315 100.963 -63.4735 318.083 PRESSAVG: 2619000 58.3143 -47.3513 -10.5827 -47.3514 -44.8449 -28.933 -10.5826 -28.933 6.97794 GPRESSAVG: 2619000 57.1534 -49.9859 -8.98091 -44.2684 -44.41 -29.9335 -11.1663 -28.083 7.36759 TIMING: 2619000 CPU: 8351.09, 0.0031299/step Wall: 8351.09, 0.0031299/step, 2.07008 hours remaining, 234.914062 MB of memory in use. ENERGY: 2619000 4010.2327 20477.3000 14460.6906 240.5682 -203240.9156 2605.6053 0.0000 0.0000 52336.3592 -109110.1595 300.7778 -161446.5187 -108740.3416 299.7716 192.1023 220.3940 760960.0194 6.8158 6.7037 PRESSURE: 2619200 163.339 19.9219 19.3693 19.9213 73.4028 -12.601 19.3687 -12.6007 16.233 GPRESSURE: 2619200 196.915 108.602 -60.9491 75.4972 95.8447 154.379 74.2216 -69.1295 53.2202 PRESSAVG: 2619200 -14.6919 -61.6354 13.1806 -61.6354 29.0034 46.8029 13.1806 46.8029 -4.47593 GPRESSAVG: 2619200 -12.6205 -58.2969 10.4176 -63.0865 27.7178 47.8481 14.8406 45.2703 -5.53401 TIMING: 2619200 CPU: 8351.71, 0.00311802/step Wall: 8351.71, 0.00311802/step, 2.06205 hours remaining, 234.914062 MB of memory in use. ENERGY: 2619200 4034.8664 20650.8771 14464.4719 243.4987 -203214.3422 2602.8242 0.0000 0.0000 52134.1740 -109083.6301 299.6158 -161217.8040 -108714.8734 300.1803 84.3248 115.3268 760338.3806 3.2785 3.1878 PRESSURE: 2619400 -15.0431 -2.29431 98.5413 -2.29477 33.7956 133.729 98.5416 133.73 -90.6868 GPRESSURE: 2619400 99.3924 -81.1303 2.11533 -5.48672 73.6593 116.538 165.298 2.67355 -142.549 PRESSAVG: 2619400 -18.283 7.6761 0.750034 7.6761 56.1929 34.4835 0.750032 34.4835 22.5667 GPRESSAVG: 2619400 -18.3752 5.65474 2.50205 8.98537 57.117 34.2986 0.0717609 36.1415 22.1235 TIMING: 2619400 CPU: 8352.34, 0.00313511/step Wall: 8352.34, 0.00313511/step, 2.07318 hours remaining, 234.914062 MB of memory in use. ENERGY: 2619400 3965.8078 20568.3232 14507.9229 261.9209 -203140.2236 2439.5852 0.0000 0.0000 52222.1558 -109174.5078 300.1214 -161396.6636 -108809.9713 299.9969 -23.9781 10.1677 760611.3988 20.1588 20.2884 PRESSURE: 2619600 184.286 118.537 -162.305 118.537 -107.361 46.8128 -162.304 46.8132 145.97 GPRESSURE: 2619600 233.668 19.0807 -137.33 142.977 -7.43542 81.1757 -129.988 -2.20266 96.2127 PRESSAVG: 2619600 -0.696179 33.1532 -49.1588 33.1532 -5.55025 -22.5991 -49.1589 -22.5991 14.0801 GPRESSAVG: 2619600 -0.818363 33.5838 -49.9127 33.0565 -6.23087 -22.0554 -49.9623 -22.7387 14.7787 TIMING: 2619600 CPU: 8352.97, 0.00314188/step Wall: 8352.97, 0.00314188/step, 2.07748 hours remaining, 234.914062 MB of memory in use. ENERGY: 2619600 3964.7629 20505.3628 14495.5415 229.3763 -203302.6528 2494.0621 0.0000 0.0000 52532.0065 -109081.5407 301.9022 -161613.5472 -108707.7555 300.1261 74.2982 107.4816 760502.7167 2.6112 2.5765 PRESSURE: 2619800 -187.478 -19.6741 -28.6076 -19.6744 -152.808 -53.2038 -28.608 -53.2021 150.608 GPRESSURE: 2619800 -84.1447 -89.5121 49.8965 -37.5042 -180.526 -134.42 127.099 -4.71378 164.761 PRESSAVG: 2619800 0.546084 27.0535 -39.492 27.0534 38.9376 -8.62802 -39.492 -8.628 -5.58856 GPRESSAVG: 2619800 -0.138123 27.4781 -40.5463 25.8267 38.6676 -9.54234 -38.6048 -9.73043 -5.36197 TIMING: 2619800 CPU: 8353.59, 0.00313895/step Wall: 8353.59, 0.00313895/step, 2.07537 hours remaining, 234.914062 MB of memory in use. ENERGY: 2619800 3855.8500 20683.7068 14539.3242 240.8636 -203054.5127 2550.7394 0.0000 0.0000 52246.2756 -108937.7530 300.2601 -161184.0287 -108578.6688 300.6961 -63.2260 -33.3032 760932.7736 11.2984 11.0558 PRESSURE: 2620000 -2.14459 -231.36 -42.9904 -231.361 -395.953 -195.089 -42.9902 -195.089 -55.1012 GPRESSURE: 2620000 -3.40721 -191.835 -60.6573 -155.249 -332.345 -236.552 21.4477 -63.0891 -12.4254 PRESSAVG: 2620000 36.7864 -10.8294 47.9045 -10.8295 -15.7889 -38.0494 47.9045 -38.0495 -5.73306 GPRESSAVG: 2620000 36.9988 -13.2731 50.4258 -10.3419 -15.3367 -37.5004 45.8959 -37.7373 -6.22883 TIMING: 2620000 CPU: 8354.23, 0.00315979/step Wall: 8354.23, 0.00315979/step, 2.08898 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 4099.9440 20609.3912 14506.6651 257.5279 -203079.0568 2550.2592 0.0000 0.0000 52067.2605 -108988.0090 299.2313 -161055.2695 -108620.7777 300.4178 -151.0663 -116.0592 761770.3820 5.0881 5.1444 PRESSURE: 2620200 202.649 13.7085 -112.803 13.708 -155.554 40.2962 -112.803 40.296 -134.435 GPRESSURE: 2620200 292.1 35.0965 -65.6672 -54.5088 -160.584 17.5914 -86.0325 75.6681 -129.303 PRESSAVG: 2620200 42.8861 -1.56348 -12.4006 -1.56354 -32.7007 -64.9311 -12.4005 -64.9311 -20.6478 GPRESSAVG: 2620200 41.7702 -0.0366852 -12.374 -1.63885 -32.8454 -66.4198 -12.0111 -65.3909 -19.9398 TIMING: 2620200 CPU: 8354.85, 0.00312847/step Wall: 8354.85, 0.00312847/step, 2.06809 hours remaining, 234.914062 MB of memory in use. ENERGY: 2620200 3992.9652 20523.0494 14534.0212 258.7314 -203171.3622 2265.5156 0.0000 0.0000 52265.5500 -109331.5294 300.3708 -161597.0794 -108973.5636 299.6465 -29.1130 0.7377 760143.3649 -3.4875 -3.6717 LDB: ============= START OF LOAD BALANCING ============== 8367.27 LDB: ============== END OF LOAD BALANCING =============== 8367.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8367.27 LDB: ============= START OF LOAD BALANCING ============== 8367.59 LDB: Largest compute 7078 load 0.033064 is 16.9% of average load 0.195449 LDB: Average compute 0.004398 is 2.3% of average load 0.195449 LDB: TIME 8367.59 LOAD: AVG 0.195449 MAX 0.216523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.918 MB LDB: TIME 8367.59 LOAD: AVG 0.195449 MAX 0.216523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.996 MB LDB: TIME 8367.59 LOAD: AVG 0.195449 MAX 0.216523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.996 MB LDB: ============== END OF LOAD BALANCING =============== 8367.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8367.6 PRESSURE: 2620400 -147.877 -119.354 156.326 -119.354 112.96 -258.311 156.326 -258.311 182.101 GPRESSURE: 2620400 -125.838 9.35125 196.715 -19.318 60.6101 -240.566 122.015 -252.012 312.126 PRESSAVG: 2620400 66.5308 -23.4565 9.51103 -23.4565 -23.305 -34.1554 9.51101 -34.1553 7.58856 GPRESSAVG: 2620400 66.8906 -22.083 8.61012 -24.4232 -22.8183 -33.5532 8.37092 -32.0885 7.04639 TIMING: 2620400 CPU: 8355.49, 0.00320314/step Wall: 8355.49, 0.00320314/step, 2.11727 hours remaining, 233.101562 MB of memory in use. ENERGY: 2620400 4046.8265 20513.8019 14479.0309 252.6853 -203420.2429 2687.0673 0.0000 0.0000 52148.3274 -109292.5036 299.6972 -161440.8310 -108932.8184 299.9355 49.0613 82.2995 760793.8375 16.9381 17.0396 PRESSURE: 2620600 271.302 -138.843 136.034 -138.843 -215.438 5.32687 136.035 5.32698 -627.016 GPRESSURE: 2620600 216.49 -180.171 142.613 -111.404 -177.136 31.8757 83.495 -9.23351 -499.929 PRESSAVG: 2620600 103.98 -49.4125 -26.9941 -49.4125 -89.0434 -36.4957 -26.994 -36.4957 -5.78897 GPRESSAVG: 2620600 103.744 -50.2924 -27.4708 -50.2944 -89.239 -35.6071 -25.1083 -37.7495 -5.66264 TIMING: 2620600 CPU: 8356.12, 0.00311721/step Wall: 8356.12, 0.00311721/step, 2.0603 hours remaining, 233.300781 MB of memory in use. ENERGY: 2620600 3980.8583 20695.9975 14475.7615 239.5567 -203113.6102 2312.2953 0.0000 0.0000 52110.9641 -109298.1768 299.4824 -161409.1409 -108926.9032 300.1079 -190.3843 -153.5253 760107.7193 3.0493 2.9476 PRESSURE: 2620800 -74.7839 -123.911 128.157 -123.91 -390.151 41.7455 128.158 41.7457 132.579 GPRESSURE: 2620800 -61.84 -66.1402 129.342 -54.6633 -270.956 79.2981 18.5138 12.2441 100.382 PRESSAVG: 2620800 -12.1455 -41.7493 -33.7359 -41.7492 -10.5122 -45.5482 -33.7359 -45.5482 -4.78845 GPRESSAVG: 2620800 -12.1959 -40.7187 -33.5146 -39.8822 -10.7521 -45.2629 -35.3885 -43.9766 -4.27805 TIMING: 2620800 CPU: 8356.74, 0.00311292/step Wall: 8356.74, 0.00311292/step, 2.05729 hours remaining, 233.300781 MB of memory in use. ENERGY: 2620800 4061.1491 20480.3064 14475.9680 238.5391 -203608.1257 2700.3192 0.0000 0.0000 52224.9747 -109426.8691 300.1376 -161651.8438 -109065.2403 299.4898 -110.7852 -77.4711 759605.0914 -9.1487 -9.0754 PRESSURE: 2621000 -450.702 174.018 63.0533 174.018 -506.339 243.325 63.0529 243.326 -254.367 GPRESSURE: 2621000 -340.11 109.581 -44.1962 66.7041 -524.683 221.273 28.0715 216.124 -235.897 PRESSAVG: 2621000 53.776 -8.98939 19.612 -8.98938 -58.2666 -0.866091 19.6121 -0.865984 10.7853 GPRESSAVG: 2621000 54.7777 -10.465 19.7144 -8.83521 -58.303 -1.88215 23.5556 -2.12616 10.2824 TIMING: 2621000 CPU: 8357.36, 0.00310614/step Wall: 8357.36, 0.00310614/step, 2.05264 hours remaining, 233.300781 MB of memory in use. ENERGY: 2621000 4105.0811 20448.0597 14502.6140 251.5896 -203234.3171 2367.8101 0.0000 0.0000 51985.1220 -109574.0406 298.7592 -161559.1625 -109214.3036 299.5663 -403.8027 -366.8965 761105.8149 2.0982 2.2524 PRESSURE: 2621200 91.6796 245.128 -41.4053 245.127 -53.9798 -234.211 -41.4054 -234.213 74.496 GPRESSURE: 2621200 213.028 132.946 -66.5153 257.71 -43.7368 -266.346 -95.0535 -261.471 37.6258 PRESSAVG: 2621200 -18.2469 6.65918 4.79035 6.65918 15.3746 -22.9579 4.79029 -22.9579 -7.77007 GPRESSAVG: 2621200 -19.0531 3.76668 5.26073 5.67144 16.0154 -23.9273 1.67497 -22.237 -8.14597 TIMING: 2621200 CPU: 8357.98, 0.00312378/step Wall: 8357.98, 0.00312378/step, 2.06412 hours remaining, 233.300781 MB of memory in use. ENERGY: 2621200 4025.9163 20566.9970 14514.0505 251.9880 -203682.9105 2753.4767 0.0000 0.0000 52112.7812 -109457.7007 299.4929 -161570.4819 -109097.0521 299.4715 37.3986 68.9722 760744.6334 -3.5475 -3.7279 PRESSURE: 2621400 -68.0092 -160.678 -73.4413 -160.677 -199.524 -48.0879 -73.4406 -48.0891 -351.763 GPRESSURE: 2621400 47.7891 -232.328 -144.378 -87.6341 -286.736 9.7858 -15.8587 -59.9583 -291.07 PRESSAVG: 2621400 9.23485 2.27675 1.19812 2.27678 -12.9035 -74.4529 1.19816 -74.4529 -32.2553 GPRESSAVG: 2621400 9.16323 5.82259 0.193618 3.22328 -14.3573 -73.4954 2.58137 -78.0468 -31.1507 TIMING: 2621400 CPU: 8358.61, 0.00312892/step Wall: 8358.61, 0.00312892/step, 2.06735 hours remaining, 233.300781 MB of memory in use. ENERGY: 2621400 4019.0606 20489.5160 14444.0475 238.2569 -203417.6237 2453.3524 0.0000 0.0000 52163.3199 -109610.0704 299.7833 -161773.3902 -109255.5840 299.4297 -206.4320 -176.6724 762212.7096 -11.9747 -12.1149 PRESSURE: 2621600 71.3205 -115.019 220.418 -115.019 302.229 -108.236 220.418 -108.237 168.113 GPRESSURE: 2621600 147.929 -123.129 271.257 -25.9219 231.117 -129.848 91.5561 -74.7369 214.677 PRESSAVG: 2621600 -40.4431 -30.7785 -6.05373 -30.7785 28.8403 -11.9437 -6.05371 -11.9437 6.06283 GPRESSAVG: 2621600 -40.0659 -30.1562 -6.17507 -32.241 29.0918 -12.1061 -6.37927 -9.59121 5.82621 TIMING: 2621600 CPU: 8359.23, 0.00311245/step Wall: 8359.23, 0.00311245/step, 2.05629 hours remaining, 233.300781 MB of memory in use. ENERGY: 2621600 3928.2740 20628.1533 14360.4277 251.2796 -203527.1327 2730.0859 0.0000 0.0000 52125.3197 -109503.5926 299.5649 -161628.9122 -109139.8093 299.1931 180.5542 197.9079 760242.1112 -1.8466 -1.7160 PRESSURE: 2621800 -15.7718 -42.9398 93.3775 -42.9407 -191.499 20.0151 93.3763 20.0147 -199.125 GPRESSURE: 2621800 -4.49383 -106.573 -19.799 20.2084 -159.029 31.5389 100.39 32.1985 -162.246 PRESSAVG: 2621800 -26.9961 -9.47642 -4.93214 -9.47647 8.46477 -8.09231 -4.9321 -8.09225 -3.12386 GPRESSAVG: 2621800 -27.2907 -10.876 -4.89119 -6.39097 9.51441 -9.39365 -5.28815 -8.26062 -3.5171 TIMING: 2621800 CPU: 8359.86, 0.00312046/step Wall: 8359.86, 0.00312046/step, 2.06141 hours remaining, 233.300781 MB of memory in use. ENERGY: 2621800 4007.8415 20626.3187 14444.1510 226.3603 -203036.6265 2412.2741 0.0000 0.0000 51842.8657 -109476.8151 297.9417 -161319.6808 -109118.0990 299.1306 -135.4652 -108.5895 760198.1675 -7.2184 -7.0978 PRESSURE: 2622000 -6.24781 54.4692 -171.868 54.4692 -144.574 -142.389 -171.867 -142.39 -47.1439 GPRESSURE: 2622000 26.7512 -95.8407 -177.058 22.0337 -89.2304 -224.4 -169.863 -21.5368 -34.6224 PRESSAVG: 2622000 -2.68134 -34.0331 -45.0226 -34.0331 10.7764 32.2264 -45.0226 32.2264 -13.3153 GPRESSAVG: 2622000 -2.77967 -32.8533 -44.741 -35.4332 10.6573 33.6554 -43.8303 31.1713 -13.5919 TIMING: 2622000 CPU: 8360.48, 0.00311947/step Wall: 8360.48, 0.00311947/step, 2.06058 hours remaining, 233.300781 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: 2622000 4003.4874 20479.6571 14467.3697 244.9430 -203297.8980 2613.5185 0.0000 0.0000 51963.1828 -109525.7395 298.6331 -161488.9223 -109162.9414 299.0052 -65.9885 -32.3672 762306.4820 -1.7401 -1.9047 PRESSURE: 2622200 12.2448 222.899 -192.435 222.899 -88.8333 135.572 -192.435 135.572 -243.327 GPRESSURE: 2622200 48.0292 166.828 -176.977 289.791 -0.734761 194.14 -71.0776 156.039 -272.041 PRESSAVG: 2622200 -11.7142 17.0037 -19.6837 17.0037 -7.13973 16.6476 -19.6838 16.6476 -3.46593 GPRESSAVG: 2622200 -11.7449 16.6496 -19.5936 18.1071 -8.05031 15.9165 -20.7371 20.9992 -2.58995 TIMING: 2622200 CPU: 8361.1, 0.00311697/step Wall: 8361.1, 0.00311697/step, 2.05876 hours remaining, 233.300781 MB of memory in use. ENERGY: 2622200 3927.6816 20435.3240 14525.2694 254.7831 -203623.1471 2683.0614 0.0000 0.0000 52018.0827 -109778.9450 298.9486 -161797.0277 -109420.1680 298.8461 -106.6386 -74.9154 760314.3630 -7.4400 -7.4617 PRESSURE: 2622400 65.1388 -121.661 232.198 -121.66 295.553 76.3375 232.198 76.3384 356.394 GPRESSURE: 2622400 14.6211 -135.997 203.316 -79.1473 414.257 25.1531 141.898 81.2349 359.769 PRESSAVG: 2622400 32.0654 -25.8917 -3.37516 -25.8917 -3.61217 9.77488 -3.37517 9.77486 -5.58738 GPRESSAVG: 2622400 32.7371 -25.95 -4.21435 -27.404 -3.03609 12.1294 -3.17468 5.28143 -6.99384 TIMING: 2622400 CPU: 8361.73, 0.00312293/step Wall: 8361.73, 0.00312293/step, 2.06252 hours remaining, 233.300781 MB of memory in use. ENERGY: 2622400 4020.7174 20590.6517 14476.6053 246.0007 -203898.0869 2892.4899 0.0000 0.0000 51980.0981 -109691.5237 298.7303 -161671.6218 -109332.4613 298.5829 239.0288 262.8823 760993.6198 7.6220 7.5690 PRESSURE: 2622600 -240.462 -113.774 -76.4563 -113.774 -73 -235.909 -76.4563 -235.908 -471.855 GPRESSURE: 2622600 -221.237 -129.664 -83.37 -50.0905 68.5902 -294.188 -117.453 -31.0911 -540.986 PRESSAVG: 2622600 -14.4154 -71.8301 -36.7509 -71.8301 43.741 -6.1969 -36.7509 -6.1969 -38.6329 GPRESSAVG: 2622600 -15.4239 -70.7599 -34.0777 -72.8 43.7369 -6.74998 -36.86 -3.38108 -37.8655 TIMING: 2622600 CPU: 8362.35, 0.00312556/step Wall: 8362.35, 0.00312556/step, 2.06408 hours remaining, 233.300781 MB of memory in use. ENERGY: 2622600 4074.4469 20556.8456 14415.6727 240.7089 -203583.0653 2560.8505 0.0000 0.0000 52009.3323 -109725.2085 298.8983 -161734.5408 -109370.9991 298.5431 -261.7723 -231.2108 761520.4135 -3.1024 -3.1842 PRESSURE: 2622800 -98.9602 204.102 -65.947 204.101 304.676 289.605 -65.9465 289.606 -197.171 GPRESSURE: 2622800 59.9623 162.678 -176.386 145.287 209.068 243.117 10.6038 117.762 -173.98 PRESSAVG: 2622800 43.5124 -4.11155 -32.7866 -4.11154 -9.58984 37.8849 -32.7866 37.8849 -8.18757 GPRESSAVG: 2622800 45.1797 -6.56039 -34.6781 -3.36672 -10.206 36.5308 -30.5194 37.8369 -9.15534 TIMING: 2622800 CPU: 8362.98, 0.00314018/step Wall: 8362.98, 0.00314018/step, 2.07357 hours remaining, 233.300781 MB of memory in use. ENERGY: 2622800 3914.3013 20510.5815 14537.1231 252.2420 -203676.9230 2751.6324 0.0000 0.0000 51954.0618 -109756.9809 298.5807 -161711.0427 -109389.6293 299.1321 2.8483 31.6834 761823.5106 8.5783 8.6061 PRESSURE: 2623000 -168.332 5.96909 -103.604 5.96857 -332.949 -14.4106 -103.604 -14.4114 -78.1666 GPRESSURE: 2623000 -109.814 -160.851 -63.8669 57.557 -244.505 47.933 -149.424 -60.68 -140.401 PRESSAVG: 2623000 0.62944 10.4534 -26.4805 10.4534 -6.6401 8.25479 -26.4804 8.2548 -13.8305 GPRESSAVG: 2623000 -0.331232 10.6787 -25.3706 10.0574 -7.28047 9.07215 -27.0993 7.39862 -12.1716 TIMING: 2623000 CPU: 8363.61, 0.00312751/step Wall: 8363.61, 0.00312751/step, 2.06502 hours remaining, 233.300781 MB of memory in use. ENERGY: 2623000 4042.0265 20692.0978 14391.9558 256.6363 -203527.1687 2444.1190 0.0000 0.0000 51821.6016 -109878.7317 297.8195 -161700.3333 -109514.1488 298.9347 -193.1490 -164.9067 761965.0713 -6.6137 -6.5944 PRESSURE: 2623200 -313.93 -99.9334 -322.27 -99.9327 -85.069 -12.2023 -322.269 -12.2018 220.912 GPRESSURE: 2623200 -274.712 6.8096 -272.979 -92.0325 -85.5939 -69.7925 -233.114 68.5929 261.141 PRESSAVG: 2623200 78.1251 28.1854 -30.4566 28.1855 -71.2388 8.7497 -30.4567 8.74968 0.137838 GPRESSAVG: 2623200 77.0651 29.9414 -30.5711 26.8525 -69.4555 7.03126 -30.5744 11.1811 -1.00121 TIMING: 2623200 CPU: 8364.23, 0.0031244/step Wall: 8364.23, 0.0031244/step, 2.0628 hours remaining, 233.300781 MB of memory in use. ENERGY: 2623200 3967.5216 20441.1533 14457.6510 245.0425 -203430.9009 2387.1019 0.0000 0.0000 52102.5941 -109829.8365 299.4343 -161932.4305 -109463.8272 298.9177 -59.3624 -33.0548 760832.1521 2.3414 2.2028 PRESSURE: 2623400 72.7369 39.6761 -143.485 39.6763 91.8693 -67.6907 -143.485 -67.6909 293.504 GPRESSURE: 2623400 179.443 34.4336 -123.651 19.0872 59.449 -55.6411 -110.56 37.526 292.262 PRESSAVG: 2623400 8.50409 -4.42395 13.1433 -4.42399 -25.0464 5.52343 13.1433 5.52351 8.49175 GPRESSAVG: 2623400 8.83928 -4.39925 13.3854 -1.81401 -25.3482 6.61632 12.7917 3.11281 8.63114 TIMING: 2623400 CPU: 8364.85, 0.00311006/step Wall: 8364.85, 0.00311006/step, 2.05316 hours remaining, 233.300781 MB of memory in use. ENERGY: 2623400 3973.9463 20647.9251 14488.0654 240.2229 -203059.7009 2284.0587 0.0000 0.0000 51665.1645 -109760.3179 296.9204 -161425.4825 -109404.6756 299.1551 152.7032 177.0515 761541.2843 -2.6835 -2.6259 PRESSURE: 2623600 32.2438 58.3342 249.598 58.3348 -372.148 -70.5894 249.597 -70.589 -198.942 GPRESSURE: 2623600 2.53725 -13.422 271.109 39.7107 -243.014 -199.258 313.955 -107.634 -215.385 PRESSAVG: 2623600 3.37016 30.2233 11.0953 30.2232 10.3965 52.0901 11.0953 52.0901 1.65483 GPRESSAVG: 2623600 3.91948 29.2335 10.6491 29.2138 10.6483 52.6231 12.151 52.0976 0.675103 TIMING: 2623600 CPU: 8365.48, 0.00313073/step Wall: 8365.48, 0.00313073/step, 2.06663 hours remaining, 233.300781 MB of memory in use. ENERGY: 2623600 4021.3415 20473.0274 14502.1911 254.2070 -203497.7949 2387.4577 0.0000 0.0000 52034.1255 -109825.4447 299.0408 -161859.5702 -109464.6320 298.7100 -179.6153 -151.9540 760640.8817 5.1405 5.0810 PRESSURE: 2623800 -282.436 -23.9073 351.894 -23.9083 129.166 -21.6335 351.894 -21.634 -0.75924 GPRESSURE: 2623800 -188.473 -42.5832 304.857 0.304726 133.355 55.295 265.643 -77.2918 0.616802 PRESSAVG: 2623800 25.4908 3.16378 -21.9737 3.16378 -18.7867 0.164134 -21.9737 0.164056 4.21848 GPRESSAVG: 2623800 26.0663 3.90368 -21.6373 3.99258 -20.005 -1.32413 -22.9092 0.423202 4.90084 TIMING: 2623800 CPU: 8366.11, 0.00313867/step Wall: 8366.11, 0.00313867/step, 2.0717 hours remaining, 233.300781 MB of memory in use. ENERGY: 2623800 4000.4623 20446.4028 14588.0284 253.3340 -203357.8605 2395.1640 0.0000 0.0000 51811.2666 -109863.2024 297.7601 -161674.4690 -109500.4872 298.8850 -51.3433 -18.1670 760855.3995 3.6409 3.6541 PRESSURE: 2624000 111.026 -129.726 -21.8223 -129.726 279.664 132.211 -21.8216 132.211 519.327 GPRESSURE: 2624000 186.196 -26.1159 -6.73568 -146.31 296.02 48.5102 -82.7624 51.1825 511.131 PRESSAVG: 2624000 18.7745 9.87444 -8.97545 9.87443 12.7992 -53.631 -8.97545 -53.6309 -5.93235 GPRESSAVG: 2624000 18.5705 10.5307 -9.076 8.19334 13.6171 -52.2043 -10.4079 -54.043 -6.3521 TIMING: 2624000 CPU: 8366.74, 0.00314927/step Wall: 8366.74, 0.00314927/step, 2.07852 hours remaining, 233.300781 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: 2624000 3919.1848 20361.4239 14544.3394 251.4458 -203628.7858 2556.7947 0.0000 0.0000 52170.5894 -109825.0078 299.8251 -161995.5973 -109452.1987 298.3614 303.3389 331.1158 760004.7116 8.5471 8.6118 PRESSURE: 2624200 115.958 146.988 81.2878 146.988 -138.09 64.3199 81.2881 64.3192 221.301 GPRESSURE: 2624200 164.434 201.937 114.725 -4.91529 -158.164 41.1624 19.3382 74.2745 293.668 PRESSAVG: 2624200 50.1453 16.6781 33.3839 16.6782 -41.0851 -42.2986 33.3838 -42.2985 -3.70661 GPRESSAVG: 2624200 50.4709 16.459 33.701 17.8831 -41.7541 -43.5719 34.2297 -42.4086 -3.53656 TIMING: 2624200 CPU: 8367.36, 0.00311783/step Wall: 8367.36, 0.00311783/step, 2.05759 hours remaining, 233.300781 MB of memory in use. ENERGY: 2624200 3931.9651 20435.5810 14527.9568 238.8188 -203487.2313 2320.5173 0.0000 0.0000 52056.1234 -109976.2690 299.1673 -162032.3923 -109608.4447 298.1696 66.3895 99.9794 760604.8615 1.7845 1.7268 LDB: ============= START OF LOAD BALANCING ============== 8379.78 LDB: ============== END OF LOAD BALANCING =============== 8379.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8379.78 LDB: ============= START OF LOAD BALANCING ============== 8380.1 LDB: Largest compute 7038 load 0.031892 is 16.3% of average load 0.195586 LDB: Average compute 0.004376 is 2.2% of average load 0.195586 LDB: TIME 8380.1 LOAD: AVG 0.195586 MAX 0.214343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.852 MB LDB: TIME 8380.1 LOAD: AVG 0.195586 MAX 0.214343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.945 MB LDB: TIME 8380.1 LOAD: AVG 0.195586 MAX 0.214343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.945 MB LDB: ============== END OF LOAD BALANCING =============== 8380.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8380.11 PRESSURE: 2624400 -51.6353 93.3187 35.6358 93.3188 -60.4343 -11.596 35.6348 -11.5975 21.6886 GPRESSURE: 2624400 -161.142 -31.0017 71.4274 171.647 76.3902 -75.421 -25.6797 73.3994 82.8777 PRESSAVG: 2624400 54.5525 -4.87488 20.8743 -4.87488 -51.601 -9.46544 20.8743 -9.46547 11.5801 GPRESSAVG: 2624400 55.6036 -4.20068 21.5646 -6.65244 -51.0767 -8.58772 21.0326 -9.42385 10.2461 TIMING: 2624400 CPU: 8368, 0.00319631/step Wall: 8368, 0.00319631/step, 2.10921 hours remaining, 233.562500 MB of memory in use. ENERGY: 2624400 3905.3135 20295.7496 14590.1862 251.3670 -203265.7093 2085.2857 0.0000 0.0000 52127.7929 -110010.0143 299.5791 -162137.8073 -109641.0662 298.3392 -30.1270 -0.6247 761207.2790 4.8439 4.9243 PRESSURE: 2624600 38.9429 146.409 15.1289 146.409 -58.9048 -159.203 15.1288 -159.203 85.7667 GPRESSURE: 2624600 -45.1947 121.312 19.2355 270.572 90.4761 -134.861 57.2385 -189.615 111.848 PRESSAVG: 2624600 -8.33165 35.8336 48.3907 35.8337 20.2823 -30.3444 48.3907 -30.3444 -2.28381 GPRESSAVG: 2624600 -10.7454 34.9464 46.1847 36.2608 21.1398 -31.31 49.5302 -29.7374 -1.17749 TIMING: 2624600 CPU: 8368.63, 0.00312862/step Wall: 8368.63, 0.00312862/step, 2.06437 hours remaining, 233.835938 MB of memory in use. ENERGY: 2624600 4032.1902 20466.1842 14555.5022 263.7091 -203398.0252 2513.3595 0.0000 0.0000 51730.6610 -109836.4190 297.2968 -161567.0800 -109477.0379 298.1264 21.9349 52.3764 760356.7097 3.2223 3.0723 PRESSURE: 2624800 -282.718 230.027 108.931 230.028 -240.887 -170.094 108.932 -170.092 150.967 GPRESSURE: 2624800 -334.913 161.515 133.639 154.276 -154.456 -200.571 60.1189 -193.535 188.588 PRESSAVG: 2624800 45.8947 16.0775 9.60867 16.0775 -27.9242 -62.8544 9.60869 -62.8544 -3.43462 GPRESSAVG: 2624800 45.1532 16.5543 10.2875 18.5364 -26.6772 -62.4571 8.92375 -64.9672 -4.01089 TIMING: 2624800 CPU: 8369.25, 0.00313302/step Wall: 8369.25, 0.00313302/step, 2.0671 hours remaining, 233.835938 MB of memory in use. ENERGY: 2624800 3902.0309 20492.2107 14529.8966 259.9446 -203559.1624 2501.7665 0.0000 0.0000 52123.4546 -109749.8586 299.5542 -161873.3131 -109386.9225 298.8927 -124.2125 -100.2606 761535.8804 4.8453 4.8217 PRESSURE: 2625000 -103.925 -28.1404 8.90534 -28.1399 31.0399 -36.0053 8.90528 -36.0053 239.976 GPRESSURE: 2625000 -86.2208 -10.671 11.0493 56.5815 137.53 -47.9062 -22.7607 114.883 198.027 PRESSAVG: 2625000 -29.4408 34.1497 -19.612 34.1498 26.1497 -82.8952 -19.612 -82.8952 7.5728 GPRESSAVG: 2625000 -28.3148 34.1003 -20.7904 32.3773 23.8502 -82.4731 -18.558 -80.5091 8.99313 TIMING: 2625000 CPU: 8369.88, 0.0031357/step Wall: 8369.88, 0.0031357/step, 2.06869 hours remaining, 233.835938 MB of memory in use. ENERGY: 2625000 3990.9523 20550.3405 14570.5689 255.9935 -203464.3555 2674.8738 0.0000 0.0000 51832.7193 -109588.9071 297.8834 -161421.6265 -109221.3769 298.8740 55.6971 83.1120 761778.3697 1.4272 1.5095 PRESSURE: 2625200 8.35331 99.6251 -2.76156 99.6246 -142.919 -98.0339 -2.76121 -98.0338 -158.842 GPRESSURE: 2625200 -54.7544 71.2782 66.0151 86.8584 -50.1256 -51.7613 -47.5589 -80.4692 -106.509 PRESSAVG: 2625200 12.379 26.1526 19.766 26.1526 -22.5113 18.4282 19.766 18.4282 2.75113 GPRESSAVG: 2625200 13.0841 25.8248 20.9879 25.9151 -23.2749 17.5759 18.8973 18.0769 2.95588 TIMING: 2625200 CPU: 8370.5, 0.00311937/step Wall: 8370.5, 0.00311937/step, 2.05775 hours remaining, 233.835938 MB of memory in use. ENERGY: 2625200 3965.5118 20526.0759 14501.8519 256.8603 -203785.8753 2678.6424 0.0000 0.0000 52154.9342 -109701.9988 299.7351 -161856.9331 -109335.2071 299.2149 -97.8026 -70.4629 762097.5549 -2.4604 -2.4116 PRESSURE: 2625400 13.4744 -22.7578 -152.448 -22.7576 112.647 235.293 -152.448 235.294 183.387 GPRESSURE: 2625400 100.023 25.7719 -174.618 78.6717 118.983 221.545 -14.8524 263.892 170.132 PRESSAVG: 2625400 22.9757 -2.48389 34.2777 -2.48389 -6.3954 -25.8713 34.2777 -25.8713 -1.90703 GPRESSAVG: 2625400 22.568 -2.49183 34.6513 -3.68373 -4.8456 -25.3522 34.6221 -24.0359 -2.55782 TIMING: 2625400 CPU: 8371.13, 0.00312715/step Wall: 8371.13, 0.00312715/step, 2.0627 hours remaining, 233.835938 MB of memory in use. ENERGY: 2625400 3958.6358 20468.2925 14459.6538 250.1312 -203450.8792 2619.0609 0.0000 0.0000 52034.8200 -109660.2850 299.0448 -161695.1050 -109298.6478 299.1048 103.1697 129.7129 759752.3869 4.8911 5.0549 PRESSURE: 2625600 39.2727 33.4535 24.1961 33.4543 -184.277 -310.383 24.1956 -310.382 127.573 GPRESSURE: 2625600 59.6729 51.0718 30.3266 46.7528 -154.868 -346.131 115.867 -282.318 172.117 PRESSAVG: 2625600 -9.17023 -28.3332 66.2809 -28.3332 9.42099 -36.8594 66.2809 -36.8594 -17.0865 GPRESSAVG: 2625600 -8.49288 -28.3823 67.1465 -25.6685 8.96148 -36.6211 67.9166 -37.7776 -17.3224 TIMING: 2625600 CPU: 8371.76, 0.00313362/step Wall: 8371.76, 0.00313362/step, 2.0668 hours remaining, 233.835938 MB of memory in use. ENERGY: 2625600 4047.7084 20518.3359 14478.5507 261.0815 -203180.3790 2277.3003 0.0000 0.0000 52006.7798 -109590.6223 298.8837 -161597.4020 -109233.7945 298.7450 -5.8104 25.6406 760881.1945 -5.6119 -5.6179 PRESSURE: 2625800 -157.102 -16.7342 -109.4 -16.7339 176.457 85.8869 -109.4 85.8866 30.0312 GPRESSURE: 2625800 -147.023 -154.52 -177.973 12.8065 225.004 116.799 -134.217 22.1515 58.5727 PRESSAVG: 2625800 1.81089 34.2243 52.041 34.2243 -24.1079 -50.7786 52.041 -50.7786 -7.86893 GPRESSAVG: 2625800 1.99524 35.2506 51.4338 32.2977 -24.4988 -50.412 50.6623 -53.6021 -7.29165 TIMING: 2625800 CPU: 8372.38, 0.00312172/step Wall: 8372.38, 0.00312172/step, 2.05877 hours remaining, 233.835938 MB of memory in use. ENERGY: 2625800 4012.0565 20604.0681 14536.2350 263.8375 -203576.5095 2496.3535 0.0000 0.0000 52009.2035 -109654.7554 298.8976 -161663.9589 -109294.1056 299.1468 16.4623 45.5176 760308.0272 -10.0553 -9.9317 PRESSURE: 2626000 111.755 -124.969 -58.3231 -124.969 125.359 35.5234 -58.322 35.5241 -375.532 GPRESSURE: 2626000 100.172 32.176 -79.3498 7.72314 202.191 -10.1073 -127.658 196.228 -347.764 PRESSAVG: 2626000 -3.26049 -5.21991 20.1667 -5.21992 18.8868 -25.2002 20.1668 -25.2003 2.6252 GPRESSAVG: 2626000 -3.96248 -6.84106 19.3656 -3.84592 19.8346 -25.7823 18.1897 -20.9391 1.90104 TIMING: 2626000 CPU: 8373.01, 0.00312852/step Wall: 8373.01, 0.00312852/step, 2.06309 hours remaining, 233.835938 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: 2626000 4040.8341 20464.3932 14499.3282 263.4963 -203765.9008 2831.2201 0.0000 0.0000 51759.7275 -109906.9014 297.4639 -161666.6289 -109551.9823 298.5811 -46.1392 -15.1339 761965.6217 6.0838 5.9244 PRESSURE: 2626200 -342.17 91.9833 14.4231 91.9834 -49.4513 -10.2443 14.4236 -10.2442 -118.908 GPRESSURE: 2626200 -252.299 180.821 116.876 14.1105 -68.6109 56.0379 58.321 -220.833 -101.007 PRESSAVG: 2626200 -25.4757 22.2339 -21.541 22.234 20.1466 -28.3233 -21.541 -28.3234 3.35941 GPRESSAVG: 2626200 -24.4647 22.3614 -20.0412 22.3087 19.8424 -27.5772 -20.8532 -30.6878 2.99457 TIMING: 2626200 CPU: 8373.63, 0.0031153/step Wall: 8373.63, 0.0031153/step, 2.0542 hours remaining, 233.835938 MB of memory in use. ENERGY: 2626200 3975.6114 20499.4763 14534.6203 245.3392 -204034.3516 2840.5882 0.0000 0.0000 51918.8117 -110019.9046 298.3781 -161938.7162 -109658.8495 298.6122 -170.1764 -140.6388 761797.7699 -0.6566 -0.5426 PRESSURE: 2626400 59.8845 -54.8356 -167.39 -54.8358 -177.841 -102.035 -167.389 -102.035 -507.836 GPRESSURE: 2626400 188.142 -78.0381 -63.2261 -66.7911 -200.843 -10.2489 -22.1568 -117.644 -515.406 PRESSAVG: 2626400 33.4935 3.93308 23.639 3.93312 -17.5332 -75.0609 23.639 -75.0608 -8.08055 GPRESSAVG: 2626400 31.8395 5.13597 24.5763 2.94394 -16.7998 -74.872 23.9427 -74.4517 -7.39442 TIMING: 2626400 CPU: 8374.25, 0.00311968/step Wall: 8374.25, 0.00311968/step, 2.05691 hours remaining, 233.835938 MB of memory in use. ENERGY: 2626400 4026.9561 20577.0995 14595.0609 234.7692 -204114.8136 2830.0407 0.0000 0.0000 52078.5149 -109772.3723 299.2959 -161850.8872 -109420.6437 298.7270 -208.5976 -176.0354 762080.3576 2.6266 2.5484 PRESSURE: 2626600 -115.442 -145.328 9.13958 -145.329 -111.135 95.4682 9.14 95.4673 -31.873 GPRESSURE: 2626600 -42.0448 -216.698 -48.2583 -182.369 -126.1 117.721 122.688 41.3254 -10.0372 PRESSAVG: 2626600 -18.1029 -5.52494 -13.4068 -5.52497 43.4992 -54.0288 -13.4068 -54.0287 4.73309 GPRESSAVG: 2626600 -17.8106 -5.29514 -16.0545 -4.26473 43.3895 -54.6941 -14.2145 -54.1964 5.09727 TIMING: 2626600 CPU: 8374.88, 0.00312519/step Wall: 8374.88, 0.00312519/step, 2.06037 hours remaining, 233.835938 MB of memory in use. ENERGY: 2626600 4063.9892 20484.8407 14365.0154 248.2901 -203897.2533 2890.7931 0.0000 0.0000 52215.3124 -109629.0124 300.0821 -161844.3248 -109263.6393 299.1397 -86.1502 -59.3941 762938.8517 10.0431 10.2254 PRESSURE: 2626800 -143.424 -59.5325 35.7387 -59.533 -2.87717 -207.852 35.7375 -207.853 -122.169 GPRESSURE: 2626800 -126.955 19.2316 -77.4862 -34.6638 28.4833 -201.005 104.672 -176.768 -102.388 PRESSAVG: 2626800 34.1095 29.5311 31.864 29.5311 15.0778 -12.5556 31.864 -12.5556 17.9083 GPRESSAVG: 2626800 34.9063 29.7146 34.3385 29.049 14.654 -11.5683 33.4741 -12.2107 17.5444 TIMING: 2626800 CPU: 8375.5, 0.00311536/step Wall: 8375.5, 0.00311536/step, 2.05371 hours remaining, 233.835938 MB of memory in use. ENERGY: 2626800 4011.0460 20566.8796 14489.3935 231.7591 -203738.6608 2766.2585 0.0000 0.0000 51878.0707 -109795.2534 298.1440 -161673.3241 -109439.6884 298.9272 -89.4900 -66.9533 761900.6112 22.3652 22.3683 PRESSURE: 2627000 -143.912 13.4291 -77.0827 13.4283 -261.261 110.576 -77.0817 110.577 -190.476 GPRESSURE: 2627000 -105.406 82.5228 -123.877 24.1406 -242.92 106.903 -95.2283 53.9805 -149.041 PRESSAVG: 2627000 12.7772 -26.3203 11.8886 -26.3203 -9.00944 53.6619 11.8887 53.6618 5.67546 GPRESSAVG: 2627000 11.8941 -25.6051 9.26475 -26.1293 -9.0945 52.8129 11.9265 53.7235 6.03443 TIMING: 2627000 CPU: 8376.13, 0.0031281/step Wall: 8376.13, 0.0031281/step, 2.06194 hours remaining, 233.835938 MB of memory in use. ENERGY: 2627000 4024.8211 20471.9799 14516.4561 258.8272 -203356.9104 2595.0026 0.0000 0.0000 52083.8717 -109405.9518 299.3267 -161489.8235 -109041.9084 298.8293 -198.5496 -165.7888 762743.5785 3.1477 2.9447 PRESSURE: 2627200 -124.692 38.2929 19.1993 38.2934 -224.756 169.039 19.1999 169.039 -368.463 GPRESSURE: 2627200 -144.877 31.8481 -107.383 27.5477 -222.021 136.181 -7.94223 70.6355 -246.612 PRESSAVG: 2627200 6.81234 -27.387 -6.58582 -27.3871 3.88538 -4.48121 -6.58573 -4.48123 2.47899 GPRESSAVG: 2627200 6.24476 -28.3705 -6.40598 -28.0015 4.50671 -3.29762 -8.70695 -6.26247 2.15409 TIMING: 2627200 CPU: 8376.75, 0.00311183/step Wall: 8376.75, 0.00311183/step, 2.05104 hours remaining, 233.835938 MB of memory in use. ENERGY: 2627200 3959.0616 20329.5880 14514.2788 246.3741 -203475.2298 2732.1671 0.0000 0.0000 52405.7404 -109288.0199 301.1765 -161693.7603 -108921.5864 300.3272 -239.3036 -204.5033 762887.7225 4.3922 4.3019 PRESSURE: 2627400 199.526 112.599 -6.06237 112.599 126.687 77.753 -6.06109 77.7532 21.2929 GPRESSURE: 2627400 291.5 122.992 20.6261 60.0514 153.193 76.356 -21.4348 -68.1025 -19.2012 PRESSAVG: 2627400 -9.50247 -15.0911 -17.083 -15.0911 -4.40764 -23.191 -17.083 -23.191 3.75177 GPRESSAVG: 2627400 -8.56663 -14.7976 -15.9605 -16.1329 -5.03719 -25.0988 -17.7657 -21.3994 3.0791 TIMING: 2627400 CPU: 8377.37, 0.00312142/step Wall: 8377.37, 0.00312143/step, 2.05719 hours remaining, 233.835938 MB of memory in use. ENERGY: 2627400 4049.3624 20536.0954 14492.9573 231.9133 -203664.9964 2913.7780 0.0000 0.0000 51960.2977 -109480.5924 298.6165 -161440.8901 -109123.5277 299.6785 115.8353 141.8306 761081.9772 -3.3861 -3.5082 PRESSURE: 2627600 282.592 2.51841 125.207 2.51876 -287.75 -20.8095 125.207 -20.81 125.976 GPRESSURE: 2627600 323.718 81.6864 105.032 46.6906 -237.176 13.1954 88.4283 -35.6463 107.996 PRESSAVG: 2627600 2.87175 39.3004 11.343 39.3004 38.5697 -23.1281 11.343 -23.1281 2.84292 GPRESSAVG: 2627600 2.66436 42.0239 10.9733 40.1931 38.2399 -21.8915 13.4807 -25.7942 3.01348 TIMING: 2627600 CPU: 8378, 0.00311425/step Wall: 8378, 0.00311425/step, 2.05229 hours remaining, 233.835938 MB of memory in use. ENERGY: 2627600 4003.8230 20640.5761 14468.0894 236.7495 -203236.4036 2588.1177 0.0000 0.0000 52032.8294 -109266.2184 299.0334 -161299.0477 -108912.1291 299.8828 40.2728 64.8460 761791.3445 14.7614 14.6392 PRESSURE: 2627800 -196.778 118.526 103.278 118.527 -437.506 -48.4099 103.278 -48.409 -225.796 GPRESSURE: 2627800 -272.095 149.756 142.127 7.68201 -345.412 -39.1473 41.6681 31.0728 -155.496 PRESSAVG: 2627800 -3.8904 2.32706 28.0493 2.32714 27.0911 4.19717 28.0493 4.19702 32.1269 GPRESSAVG: 2627800 -3.99586 0.0924282 27.8247 1.07419 27.0946 2.84809 28.1606 7.98568 32.1681 TIMING: 2627800 CPU: 8378.62, 0.00311274/step Wall: 8378.62, 0.00311274/step, 2.05112 hours remaining, 233.835938 MB of memory in use. ENERGY: 2627800 3994.2183 20714.1801 14475.8783 250.3823 -203558.3761 2499.8246 0.0000 0.0000 52316.7077 -109307.1848 300.6648 -161623.8926 -108938.8249 300.1002 -286.6933 -257.6678 762168.2238 18.4425 18.4223 PRESSURE: 2628000 -76.9239 -171.34 63.2314 -171.339 30.7431 -58.7667 63.2304 -58.7663 -353.946 GPRESSURE: 2628000 -126.003 -65.8438 40.3023 -168.989 93.9247 -59.4542 39.8339 46.8544 -289.389 PRESSAVG: 2628000 -38.7442 -0.162038 36.5974 -0.162093 34.0794 -3.45746 36.5973 -3.45744 12.3482 GPRESSAVG: 2628000 -39.0132 2.05333 37.3389 0.602294 35.6354 -0.661865 36.0295 -5.7833 10.9622 TIMING: 2628000 CPU: 8379.24, 0.00312824/step Wall: 8379.24, 0.00312824/step, 2.06116 hours remaining, 233.835938 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: 2628000 3993.4487 20641.5377 14559.9353 231.6051 -203371.6030 2461.6424 0.0000 0.0000 52065.8342 -109417.5996 299.2231 -161483.4338 -109059.2136 300.1761 -133.3757 -107.1557 761077.4028 2.5611 2.5282 PRESSURE: 2628200 1.20565 64.3078 41.117 64.3071 -338.721 23.8939 41.1162 23.8935 -242.7 GPRESSURE: 2628200 -75.6038 77.323 -6.00499 -19.333 -219.297 45.2567 17.5991 -86.4459 -202.53 PRESSAVG: 2628200 -36.9069 -15.1624 11.1081 -15.1625 45.4637 -33.4681 11.1081 -33.4681 2.16189 GPRESSAVG: 2628200 -36.6138 -15.9138 8.03052 -14.2837 45.588 -34.2105 11.3415 -32.9325 2.33609 TIMING: 2628200 CPU: 8379.87, 0.00314783/step Wall: 8379.87, 0.00314783/step, 2.0739 hours remaining, 233.835938 MB of memory in use. ENERGY: 2628200 4088.2308 20723.5523 14556.4100 245.4263 -203275.2935 2311.7484 0.0000 0.0000 52196.7749 -109153.1509 299.9756 -161349.9257 -108791.0584 299.9930 -193.4053 -165.8101 761964.8422 3.5729 3.7701 LDB: ============= START OF LOAD BALANCING ============== 8392.29 LDB: ============== END OF LOAD BALANCING =============== 8392.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8392.29 LDB: ============= START OF LOAD BALANCING ============== 8392.61 LDB: Largest compute 7031 load 0.032936 is 16.8% of average load 0.195512 LDB: Average compute 0.004375 is 2.2% of average load 0.195512 LDB: TIME 8392.61 LOAD: AVG 0.195512 MAX 0.216672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 8392.61 LOAD: AVG 0.195512 MAX 0.216672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 8392.61 LOAD: AVG 0.195512 MAX 0.216672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 8392.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8392.62 PRESSURE: 2628400 -187.3 170.2 -149.915 170.2 26.6567 59.9344 -149.914 59.9344 -378.438 GPRESSURE: 2628400 -131.711 150.514 -187.705 219.366 163.448 82.5321 -126.014 -162.062 -481.315 PRESSAVG: 2628400 -13.5151 -3.67686 -18.9892 -3.67686 12.7822 -7.26688 -18.9891 -7.26694 23.1136 GPRESSAVG: 2628400 -12.6668 -2.88905 -17.6071 -2.49631 12.4582 -6.91322 -18.2455 -10.0251 22.609 TIMING: 2628400 CPU: 8380.51, 0.00318172/step Wall: 8380.51, 0.00318172/step, 2.09605 hours remaining, 233.050781 MB of memory in use. ENERGY: 2628400 4033.1769 20494.2177 14562.1921 250.0037 -203382.2695 2590.5828 0.0000 0.0000 52242.5507 -109209.5456 300.2387 -161452.0963 -108850.3641 299.9742 -179.6939 -149.8593 762636.2122 7.4602 7.4668 PRESSURE: 2628600 -15.9644 -113.175 25.7686 -113.176 -24.0186 -106.026 25.7687 -106.025 -109.211 GPRESSURE: 2628600 52.0289 -173.212 19.8748 -22.1559 -39.7843 -99.5397 58.3593 -25.245 -63.6327 PRESSAVG: 2628600 -3.90132 -12.7924 14.1373 -12.7925 9.8421 23.6214 14.1373 23.6215 29.1419 GPRESSAVG: 2628600 -3.37144 -13.5659 15.2589 -14.0962 8.54783 23.299 13.5953 23.1004 29.7657 TIMING: 2628600 CPU: 8381.14, 0.00313358/step Wall: 8381.14, 0.00313358/step, 2.06416 hours remaining, 233.050781 MB of memory in use. ENERGY: 2628600 3947.9419 20472.9761 14548.4689 230.2404 -203363.3602 2421.0803 0.0000 0.0000 52398.6094 -109344.0433 301.1355 -161742.6527 -108983.2651 300.0513 -49.7313 -17.1294 761313.2523 11.6942 11.6474 PRESSURE: 2628800 351.848 118.054 -49.3165 118.053 -47.6476 -16.0885 -49.3163 -16.0885 202.181 GPRESSURE: 2628800 230.681 203.487 -126.741 -20.9495 149.496 -45.2943 -162.521 8.85729 219.92 PRESSAVG: 2628800 -10.8588 39.8947 10.0824 39.8947 -3.81778 -20.943 10.0823 -20.9429 -12.9387 GPRESSAVG: 2628800 -12.6349 38.5267 8.53208 40.4552 -2.84003 -21.9125 9.19536 -18.3817 -11.8828 TIMING: 2628800 CPU: 8381.76, 0.003132/step Wall: 8381.76, 0.003132/step, 2.06294 hours remaining, 233.050781 MB of memory in use. ENERGY: 2628800 4002.8360 20362.5666 14496.1379 243.6025 -203629.3897 2796.3289 0.0000 0.0000 52339.2695 -109388.6483 300.7945 -161727.9178 -109044.5370 299.7592 168.7940 200.0324 760324.5573 -9.2051 -9.1193 PRESSURE: 2629000 270.139 -73.4082 -129.897 -73.4093 24.4847 -17.0309 -129.897 -17.0303 -52.2933 GPRESSURE: 2629000 205.858 -6.80248 -170.016 -143.44 91.2184 -33.606 -29.1743 -57.458 36.4276 PRESSAVG: 2629000 -24.9943 10.9469 -25.0839 10.9469 55.9835 -22.0994 -25.0839 -22.0993 -2.21421 GPRESSAVG: 2629000 -25.6799 13.2308 -24.2299 9.50986 57.812 -21.2813 -24.096 -23.193 -3.06209 TIMING: 2629000 CPU: 8382.4, 0.0031668/step Wall: 8382.4, 0.0031668/step, 2.08569 hours remaining, 233.050781 MB of memory in use. ENERGY: 2629000 3952.8198 20530.5986 14514.8148 261.2525 -203362.2789 2552.5069 0.0000 0.0000 52075.7707 -109474.5154 299.2802 -161550.2861 -109111.5829 299.6676 80.7768 111.1681 760523.7638 9.5917 9.6900 PRESSURE: 2629200 30.0785 136.853 -84.1351 136.854 -215.97 -114.288 -84.1346 -114.289 -150.09 GPRESSURE: 2629200 16.4392 131.956 66.7753 80.3274 -118.118 -118.128 -76.1456 47.4814 -155.132 PRESSAVG: 2629200 -34.248 -16.5074 -14.5413 -16.5075 0.321843 7.73458 -14.5413 7.73456 6.36879 GPRESSAVG: 2629200 -33.0354 -17.9655 -13.5661 -15.5819 -1.75095 5.86083 -15.1573 12.1454 6.94428 TIMING: 2629200 CPU: 8383.03, 0.00314849/step Wall: 8383.03, 0.00314849/step, 2.07346 hours remaining, 233.050781 MB of memory in use. ENERGY: 2629200 3963.9668 20326.7717 14564.1863 248.3733 -203098.1858 2330.8223 0.0000 0.0000 52139.4185 -109524.6468 299.6460 -161664.0653 -109143.2318 299.3330 -111.9938 -85.6035 761705.6033 -9.1858 -9.2807 PRESSURE: 2629400 -3.17623 -61.7284 56.8309 -61.7285 -361.58 81.1166 56.831 81.1163 -166.87 GPRESSURE: 2629400 -12.8511 -128.93 54.4103 -47.457 -310.726 107.143 -172.008 -17.4765 -101.162 PRESSAVG: 2629400 7.20031 -40.4301 -10.2175 -40.4301 24.5926 15.2781 -10.2175 15.2781 12.3745 GPRESSAVG: 2629400 8.19189 -40.2407 -11.8886 -42.0856 23.6499 16.8847 -10.2046 11.2579 12.2895 TIMING: 2629400 CPU: 8383.66, 0.00314528/step Wall: 8383.66, 0.00314528/step, 2.07116 hours remaining, 233.050781 MB of memory in use. ENERGY: 2629400 3914.7253 20254.3076 14498.1622 229.8660 -202752.2654 2152.0369 0.0000 0.0000 52218.6191 -109484.5484 300.1011 -161703.1675 -109120.9370 298.8258 -177.2089 -141.5797 763425.9900 14.7225 14.7105 PRESSURE: 2629600 -101.434 132.41 -106.004 132.41 64.1833 -17.468 -106.004 -17.467 -285.227 GPRESSURE: 2629600 -46.4221 77.4826 -110.107 162.749 27.3051 -31.963 -39.994 41.0686 -227.024 PRESSAVG: 2629600 -2.54706 0.861878 21.0653 0.861901 -14.2599 -16.2103 21.0652 -16.2103 -30.7908 GPRESSAVG: 2629600 -4.11224 0.353162 23.2067 2.27827 -14.1391 -17.3115 20.1341 -15.9439 -29.5995 TIMING: 2629600 CPU: 8384.29, 0.00316734/step Wall: 8384.29, 0.00316734/step, 2.08551 hours remaining, 233.050781 MB of memory in use. ENERGY: 2629600 3964.6856 20525.5905 14497.2383 232.3356 -203085.8788 2360.5374 0.0000 0.0000 51876.4987 -109628.9927 298.1350 -161505.4915 -109271.3530 298.7133 -107.4925 -82.0469 761436.0377 -15.8659 -15.9503 PRESSURE: 2629800 187.853 -289.79 -119.825 -289.79 -92.2087 -237.841 -119.825 -237.841 320.857 GPRESSURE: 2629800 110.785 -185.763 -12.9212 -239.924 1.58296 -272.907 -21.7291 -81.7389 394.906 PRESSAVG: 2629800 38.1252 -2.80828 16.7262 -2.8083 10.5139 -64.2964 16.7262 -64.2964 3.50137 GPRESSAVG: 2629800 38.1267 -3.9406 17.669 0.132274 11.5246 -62.4918 14.3483 -66.4748 2.27332 TIMING: 2629800 CPU: 8384.92, 0.0031732/step Wall: 8384.92, 0.0031732/step, 2.0892 hours remaining, 233.050781 MB of memory in use. ENERGY: 2629800 3980.2614 20485.6816 14522.1033 266.9336 -203050.8489 2453.6382 0.0000 0.0000 51979.4782 -109362.7525 298.7268 -161342.2307 -108993.7401 299.2619 138.8337 169.0911 762020.5478 17.3802 17.3082 PRESSURE: 2630000 -304.525 -32.3941 -76.8015 -32.3949 -22.3973 -8.88446 -76.801 -8.88452 243.847 GPRESSURE: 2630000 -272.543 4.93199 -55.3358 -113.334 56.5364 -1.65832 -90.9118 23.6962 226.642 PRESSAVG: 2630000 -33.5608 9.94091 7.00137 9.9409 18.2365 -12.6579 7.00143 -12.658 0.163536 GPRESSAVG: 2630000 -32.5834 11.9906 3.42356 6.66116 17.379 -12.7708 11.2839 -12.1116 0.380198 TIMING: 2630000 CPU: 8385.56, 0.00315481/step Wall: 8385.56, 0.00315481/step, 2.07692 hours remaining, 233.050781 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: 2630000 3934.6992 20490.0682 14486.7162 227.2389 -203343.8894 2462.2335 0.0000 0.0000 52268.8918 -109474.0417 300.3900 -161742.9334 -109112.7641 299.5758 -27.6920 3.5450 762162.6292 -5.0536 -4.9414 PRESSURE: 2630200 -255.365 23.8867 6.61358 23.8868 -168.349 -27.3845 6.61428 -27.3839 202.751 GPRESSURE: 2630200 -225.459 14.0734 14.3526 64.7046 -208.824 -5.73507 -67.5363 -66.1549 282.574 PRESSAVG: 2630200 -44.0942 -34.5295 -32.623 -34.5294 53.5735 3.64528 -32.6231 3.64523 -8.64505 GPRESSAVG: 2630200 -45.3048 -35.2762 -31.5869 -34.9304 54.4119 3.52771 -34.9283 7.45974 -8.57721 TIMING: 2630200 CPU: 8386.18, 0.00314588/step Wall: 8386.18, 0.00314588/step, 2.07086 hours remaining, 233.050781 MB of memory in use. ENERGY: 2630200 3973.0889 20627.7249 14583.3952 251.3407 -203389.3660 2537.7995 0.0000 0.0000 51850.1064 -109565.9105 297.9833 -161416.0169 -109200.9456 299.6487 -73.6545 -50.5696 760607.1062 0.2781 0.1766 PRESSURE: 2630400 -208.495 58.5133 138.576 58.5132 41.0592 50.5966 138.576 50.595 7.81179 GPRESSURE: 2630400 -230.965 -31.0069 150.98 40.0619 134.129 122.363 122.352 19.8862 16.7275 PRESSAVG: 2630400 -37.8037 -7.227 -75.8686 -7.22699 62.938 33.8478 -75.8685 33.8478 -9.56354 GPRESSAVG: 2630400 -37.2883 -6.38956 -76.3646 -8.03824 62.1967 33.8119 -74.9174 30.7295 -9.75018 TIMING: 2630400 CPU: 8386.81, 0.00312686/step Wall: 8386.81, 0.00312686/step, 2.05817 hours remaining, 233.050781 MB of memory in use. ENERGY: 2630400 3963.5779 20508.4261 14498.6093 258.1854 -203146.3532 2404.1324 0.0000 0.0000 52127.5356 -109385.8866 299.5777 -161513.4222 -109030.2051 299.5311 -53.2081 -26.7027 761392.0524 5.1902 5.0527 PRESSURE: 2630600 99.6784 -181.662 -27.0849 -181.663 -211.237 96.5345 -27.0843 96.5341 -175.234 GPRESSURE: 2630600 63.214 -116.18 -14.4975 -187.78 -100.143 -45.6379 -78.2251 168.924 -188.455 PRESSAVG: 2630600 -24.1734 -36.7196 -33.3005 -36.7197 -2.18802 27.4025 -33.3005 27.4025 -7.45059 GPRESSAVG: 2630600 -24.5632 -38.6287 -32.603 -33.5885 -2.27984 26.0635 -34.1849 30.8559 -6.84869 TIMING: 2630600 CPU: 8387.44, 0.00314339/step Wall: 8387.44, 0.00314339/step, 2.06887 hours remaining, 233.050781 MB of memory in use. ENERGY: 2630600 4002.9638 20466.0593 14512.7154 239.4229 -203202.7096 2436.8938 0.0000 0.0000 52165.3490 -109379.3053 299.7950 -161544.6543 -109010.7521 299.3736 -95.5975 -75.1280 762517.7018 -11.2707 -11.2306 PRESSURE: 2630800 -314.184 124.897 -151.437 124.897 -313.415 20.7665 -151.437 20.7662 -287.951 GPRESSURE: 2630800 -317.974 93.2417 -63.5796 157.651 -270.518 0.995777 -147.855 36.348 -232.748 PRESSAVG: 2630800 -5.36 32.8423 13.6158 32.8423 -31.462 41.8169 13.6158 41.8168 -2.26903 GPRESSAVG: 2630800 -5.85354 34.257 14.9274 31.4163 -30.4739 41.8831 12.4055 40.8698 -3.342 TIMING: 2630800 CPU: 8388.06, 0.0031304/step Wall: 8388.06, 0.0031304/step, 2.06015 hours remaining, 233.050781 MB of memory in use. ENERGY: 2630800 4158.7726 20504.0215 14422.5341 252.3411 -203300.7487 2400.1364 0.0000 0.0000 51871.7923 -109691.1507 298.1079 -161562.9429 -109339.0115 298.9244 -305.1834 -273.7468 761807.3473 -13.0303 -13.2232 PRESSURE: 2631000 61.2234 -82.2507 105.965 -82.2506 -183.082 -13.2231 105.965 -13.2221 -393.074 GPRESSURE: 2631000 97.6439 -206.305 -78.3318 -156.93 -184.149 69.0152 136.03 -36.9497 -334.933 PRESSAVG: 2631000 18.2724 -38.9645 -25.0698 -38.9644 -9.86064 7.61894 -25.0698 7.61893 -6.67144 GPRESSAVG: 2631000 18.0403 -39.9871 -26.1408 -39.4009 -10.3684 8.59219 -20.8324 7.9589 -6.19016 TIMING: 2631000 CPU: 8388.69, 0.00313684/step Wall: 8388.69, 0.00313684/step, 2.06421 hours remaining, 233.050781 MB of memory in use. ENERGY: 2631000 4057.2981 20406.0657 14460.2347 227.1609 -202966.5891 2445.7305 0.0000 0.0000 51649.1160 -109720.9831 296.8282 -161370.0991 -109368.4328 298.6629 -171.6441 -140.4793 761039.5217 0.5801 0.4939 PRESSURE: 2631200 -173.911 206.415 195.303 206.415 30.5749 133.44 195.302 133.438 121.277 GPRESSURE: 2631200 -170.761 116.649 146.502 135.749 118.415 180.084 183.919 154.599 118.821 PRESSAVG: 2631200 0.912231 -16.0357 -8.67775 -16.0358 10.1584 42.3823 -8.67782 42.3823 -12.3503 GPRESSAVG: 2631200 1.14383 -15.6097 -9.22904 -16.3613 10.1833 41.6071 -12.0477 41.5154 -13.1873 TIMING: 2631200 CPU: 8389.32, 0.00313551/step Wall: 8389.32, 0.00313551/step, 2.06317 hours remaining, 233.050781 MB of memory in use. ENERGY: 2631200 4001.2346 20335.0721 14487.2897 242.3176 -203724.1827 2501.3399 0.0000 0.0000 52332.3383 -109824.5905 300.7547 -162156.9288 -109450.9994 298.4512 -7.3530 22.1581 760732.9272 -0.4266 -0.6201 PRESSURE: 2631400 -76.8092 -15.8745 -101.699 -15.8749 66.8138 167.959 -101.699 167.959 -440.721 GPRESSURE: 2631400 -119.598 53.4446 -135.138 42.266 147.075 224.106 -113.616 124.178 -400.665 PRESSAVG: 2631400 0.379275 6.66289 -20.624 6.66289 -17.7898 48.7498 -20.6239 48.7498 16.6725 GPRESSAVG: 2631400 -0.180395 6.61043 -20.3676 7.89803 -18.2634 49.7599 -18.8792 49.2398 16.8536 TIMING: 2631400 CPU: 8389.94, 0.00312976/step Wall: 8389.94, 0.00312976/step, 2.05921 hours remaining, 233.050781 MB of memory in use. ENERGY: 2631400 4068.9956 20371.2648 14477.2756 245.1511 -203295.4504 2481.9559 0.0000 0.0000 51947.7804 -109703.0271 298.5446 -161650.8075 -109331.2522 298.3876 -150.2389 -124.3963 761532.4148 -0.2460 -0.5300 PRESSURE: 2631600 -55.684 -107.907 -74.8683 -107.907 -119.119 -44.7739 -74.8675 -44.774 30.0767 GPRESSURE: 2631600 14.6977 -86.0148 -28.4544 -19.0388 -74.9076 -52.2517 -171.815 16.5483 -2.36757 PRESSAVG: 2631600 30.935 -20.1917 -13.0713 -20.1916 -27.5157 36.1996 -13.0713 36.1997 -10.0934 GPRESSAVG: 2631600 30.0938 -18.4803 -13.3835 -21.567 -26.7906 36.5437 -14.6209 36.2583 -9.64123 TIMING: 2631600 CPU: 8390.57, 0.003134/step Wall: 8390.57, 0.003134/step, 2.06182 hours remaining, 233.050781 MB of memory in use. ENERGY: 2631600 4058.7598 20470.0011 14483.1885 218.0689 -203284.2595 2506.9759 0.0000 0.0000 51927.6343 -109619.6311 298.4288 -161547.2654 -109266.3724 298.7345 -48.2422 -20.8592 763059.0127 -2.2247 -2.1127 PRESSURE: 2631800 -95.4177 -89.8273 186.931 -89.8272 -146.612 -60.7923 186.932 -60.7907 -181.204 GPRESSURE: 2631800 -77.9078 -102.439 198.707 -51.612 -57.9025 -19.6555 208.532 -119.507 -195.181 PRESSAVG: 2631800 22.1151 5.36621 64.174 5.36615 -32.6165 -30.0862 64.174 -30.0862 0.276732 GPRESSAVG: 2631800 23.3484 4.62056 63.5026 4.89008 -34.1055 -30.249 67.2633 -29.8078 0.507795 TIMING: 2631800 CPU: 8391.2, 0.00314425/step Wall: 8391.2, 0.00314425/step, 2.06839 hours remaining, 233.050781 MB of memory in use. ENERGY: 2631800 3997.7302 20434.8676 14469.2766 268.5328 -203201.7784 2427.1366 0.0000 0.0000 52111.4123 -109492.8224 299.4850 -161604.2347 -109134.0392 298.6102 -141.0778 -110.3305 762972.0707 -3.4082 -3.4164 PRESSURE: 2632000 106.2 -157.5 -114.685 -157.499 323.904 213.088 -114.685 213.088 -47.655 GPRESSURE: 2632000 238.756 -259.801 -97.613 -142.664 360.872 201.475 -127.456 20.1325 -133.577 PRESSAVG: 2632000 -33.6705 35.7735 44.7467 35.7735 -4.51251 -31.0538 44.7467 -31.0539 -17.5302 GPRESSAVG: 2632000 -32.8791 34.471 45.2523 36.1477 -4.49194 -30.4269 42.5224 -33.1309 -17.9177 TIMING: 2632000 CPU: 8391.83, 0.00313249/step Wall: 8391.83, 0.00313249/step, 2.06048 hours remaining, 233.050781 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: 2632000 4000.9555 20438.0521 14498.6165 234.3356 -203610.6208 2679.8909 0.0000 0.0000 52336.7221 -109422.0482 300.7799 -161758.7703 -109060.5620 299.5209 127.4831 155.3502 760645.7045 -18.5711 -18.4296 PRESSURE: 2632200 56.3871 -230.698 -179.287 -230.698 -112.582 -23.2988 -179.288 -23.2979 52.5874 GPRESSURE: 2632200 96.0446 -207.131 -208.71 -136.617 -98.3082 85.5685 -148.569 15.4618 83.3718 PRESSAVG: 2632200 40.1486 -6.91382 -4.18475 -6.9139 21.9122 10.2507 -4.18483 10.2507 24.0301 GPRESSAVG: 2632200 39.0896 -5.24334 -4.17064 -8.87423 22.3028 10.3686 -2.60979 11.4176 24.4378 TIMING: 2632200 CPU: 8392.45, 0.0031323/step Wall: 8392.45, 0.0031323/step, 2.06018 hours remaining, 233.050781 MB of memory in use. ENERGY: 2632200 4013.2861 20572.6475 14434.5313 263.5850 -203289.5407 2558.1095 0.0000 0.0000 51930.0435 -109517.3377 298.4427 -161447.3813 -109160.3481 299.1577 -1.2025 27.0361 760254.5573 28.6970 28.6101 LDB: ============= START OF LOAD BALANCING ============== 8404.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8404.87 LDB: =============== DONE WITH MIGRATION ================ 8404.88 LDB: ============= START OF LOAD BALANCING ============== 8405.19 LDB: Largest compute 7068 load 0.031014 is 15.9% of average load 0.195539 LDB: Average compute 0.004384 is 2.2% of average load 0.195539 LDB: TIME 8405.19 LOAD: AVG 0.195539 MAX 0.215241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.688 MB LDB: TIME 8405.19 LOAD: AVG 0.195539 MAX 0.215241 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.727 MB LDB: TIME 8405.19 LOAD: AVG 0.195539 MAX 0.215241 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.727 MB LDB: ============== END OF LOAD BALANCING =============== 8405.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8405.2 PRESSURE: 2632400 -63.2319 -79.0255 159.579 -79.0265 -358.583 20.3181 159.579 20.3178 -3.96739 GPRESSURE: 2632400 -65.5274 -179.89 204.676 100.981 -248.643 60.852 191.931 -169.419 -17.173 PRESSAVG: 2632400 9.46981 -25.098 -16.9116 -25.098 -4.44645 -25.6392 -16.9116 -25.6392 16.5614 GPRESSAVG: 2632400 9.24205 -27.593 -16.4249 -22.0335 -5.28081 -27.4324 -18.4358 -25.5787 17.3003 TIMING: 2632400 CPU: 8393.09, 0.00320681/step Wall: 8393.09, 0.00320681/step, 2.10901 hours remaining, 234.074219 MB of memory in use. ENERGY: 2632400 4009.8881 20621.0657 14474.6058 252.8007 -203252.6654 2481.3981 0.0000 0.0000 52005.9864 -109406.9206 298.8791 -161412.9070 -109048.7530 299.6231 -141.9273 -110.4478 761063.7410 7.1949 7.0872 PRESSURE: 2632600 9.86355 -20.569 -96.4154 -20.5692 391.124 11.7417 -96.4152 11.7417 272.341 GPRESSURE: 2632600 64.3638 -41.8499 -127.06 -110.495 391.941 -41.0328 -221.919 112.854 306.696 PRESSAVG: 2632600 14.6405 -54.0215 8.85799 -54.0215 -24.0214 11.5119 8.85802 11.5118 -4.88352 GPRESSAVG: 2632600 14.9068 -53.9731 9.55813 -53.7395 -23.9475 12.4729 9.59194 12.1841 -5.5758 TIMING: 2632600 CPU: 8393.72, 0.00314121/step Wall: 8393.72, 0.00314121/step, 2.0657 hours remaining, 234.074219 MB of memory in use. ENERGY: 2632600 3902.4346 20545.9119 14410.7913 243.0954 -203569.8595 2635.7398 0.0000 0.0000 52294.4383 -109537.4481 300.5369 -161831.8864 -109183.7230 299.5913 224.4429 254.3334 759714.4370 -4.7548 -4.8722 PRESSURE: 2632800 125.959 -81.4966 -69.5168 -81.4969 57.6803 85.4343 -69.5166 85.4336 128.664 GPRESSURE: 2632800 148.261 -142.195 -1.10455 -5.3158 24.5209 18.7857 -48.1535 78.3212 207.361 PRESSAVG: 2632800 21.5694 -69.5093 -3.76149 -69.5093 4.28472 -40.7256 -3.76148 -40.7256 6.67422 GPRESSAVG: 2632800 20.3752 -70.7847 -3.32014 -70.1828 5.86497 -40.9367 -4.83924 -40.9768 6.23542 TIMING: 2632800 CPU: 8394.35, 0.00311792/step Wall: 8394.35, 0.00311792/step, 2.0502 hours remaining, 234.074219 MB of memory in use. ENERGY: 2632800 4006.6304 20514.2821 14493.8968 250.8644 -203385.6203 2611.2695 0.0000 0.0000 52025.1525 -109483.5246 298.9893 -161508.6771 -109131.4698 299.6515 104.1010 126.7141 759105.7566 10.8428 10.8252 PRESSURE: 2633000 -172.526 33.281 86.7844 33.2805 -393.952 220.606 86.7846 220.606 -22.5043 GPRESSURE: 2633000 -154.628 -23.4459 116.304 173.638 -349.922 230.925 90.6027 188.808 7.45519 PRESSAVG: 2633000 56.7943 -1.7568 -27.2348 -1.75681 -22.1601 18.8685 -27.2348 18.8685 -20.5486 GPRESSAVG: 2633000 59.3158 -0.78693 -27.1352 0.409307 -24.447 19.2137 -28.0322 19.1841 -20.3358 TIMING: 2633000 CPU: 8394.97, 0.00313282/step Wall: 8394.97, 0.00313282/step, 2.05983 hours remaining, 234.074219 MB of memory in use. ENERGY: 2633000 3957.7506 20518.5433 14450.2478 251.7245 -202575.9959 1874.3799 0.0000 0.0000 52183.1883 -109340.1616 299.8975 -161523.3499 -108966.0667 299.4142 -196.3274 -165.6983 760840.4935 4.6952 4.8444 PRESSURE: 2633200 227.145 -0.240283 -138.021 -0.239667 -233.636 140.572 -138.021 140.572 208.313 GPRESSURE: 2633200 312.093 -51.2645 -252.277 88.5166 -83.2175 55.6853 -174.048 157.694 72.3708 PRESSAVG: 2633200 -10.3594 -27.3606 41.5908 -27.3606 -0.656935 -5.84507 41.5908 -5.84502 -5.8545 GPRESSAVG: 2633200 -10.7633 -25.4967 40.8561 -30.3095 0.770574 -4.47317 43.2973 -6.39723 -7.12732 TIMING: 2633200 CPU: 8395.6, 0.00313039/step Wall: 8395.6, 0.00313039/step, 2.05805 hours remaining, 234.074219 MB of memory in use. ENERGY: 2633200 3963.2000 20458.7511 14481.2464 243.6304 -203010.1164 2255.3836 0.0000 0.0000 52300.5947 -109307.3102 300.5722 -161607.9048 -108943.3324 300.2449 67.2741 100.4154 759198.7959 -5.6236 -5.7067 PRESSURE: 2633400 157.703 46.7173 -33.1539 46.7176 -137.224 373.622 -33.1531 373.622 -403.836 GPRESSURE: 2633400 172.743 -24.1284 -13.7994 90.6743 -96.6606 417.16 29.8722 254.878 -388.277 PRESSAVG: 2633400 36.3624 -12.4515 0.464349 -12.4515 -14.7654 -4.38849 0.464431 -4.38851 -14.7746 GPRESSAVG: 2633400 35.3525 -13.3245 -0.605762 -12.1279 -15.9323 -3.81461 -1.03145 -5.50618 -13.008 TIMING: 2633400 CPU: 8396.23, 0.00314573/step Wall: 8396.23, 0.00314573/step, 2.06796 hours remaining, 234.074219 MB of memory in use. ENERGY: 2633400 4002.0198 20609.9961 14520.7991 245.7835 -202909.2455 2033.6902 0.0000 0.0000 52166.4410 -109330.5158 299.8013 -161496.9568 -108960.4044 299.8762 -127.7860 -104.0649 759491.0938 2.2741 2.1374 PRESSURE: 2633600 117.416 145.48 -211.088 145.48 -147.587 -165.906 -211.087 -165.906 623.545 GPRESSURE: 2633600 115.523 152.799 -288.437 93.5467 -62.9597 -215.989 -188.832 -48.3766 626.197 PRESSAVG: 2633600 34.7237 20.2352 28.1013 20.2351 -71.7486 2.03355 28.1013 2.03357 3.22287 GPRESSAVG: 2633600 34.3063 20.7128 28.1257 20.5292 -70.3958 1.68055 28.5347 3.82756 2.17463 TIMING: 2633600 CPU: 8396.86, 0.00315014/step Wall: 8396.86, 0.00315014/step, 2.07069 hours remaining, 234.074219 MB of memory in use. ENERGY: 2633600 4025.5024 20414.2970 14468.8174 236.4911 -203598.7822 2819.1920 0.0000 0.0000 52152.2529 -109482.2294 299.7197 -161634.4824 -109119.4951 299.7762 197.7915 226.2534 758032.8717 -11.2674 -11.3050 PRESSURE: 2633800 -524.237 221.164 -334.785 221.165 -248.396 221.833 -334.785 221.834 -38.6857 GPRESSURE: 2633800 -440.568 180.323 -437.316 97.8251 -202.587 208.763 -204.312 121.175 -66.6121 PRESSAVG: 2633800 -3.17812 -7.70838 -22.4251 -7.70839 -27.4312 -8.25407 -22.4251 -8.25408 -1.51802 GPRESSAVG: 2633800 -2.34305 -8.32376 -23.3577 -9.64759 -28.2164 -12.2979 -22.2433 -7.19316 -0.975816 TIMING: 2633800 CPU: 8397.48, 0.00311743/step Wall: 8397.48, 0.00311742/step, 2.04901 hours remaining, 234.074219 MB of memory in use. ENERGY: 2633800 4015.8739 20597.6592 14419.1317 242.5229 -203084.8445 2140.1379 0.0000 0.0000 52157.0863 -109512.4327 299.7475 -161669.5190 -109152.8962 299.3797 -270.4397 -236.5888 759026.4210 -10.7091 -10.5118 PRESSURE: 2634000 231.741 -25.1484 206.459 -25.1496 236.255 41.6982 206.458 41.6998 -209.296 GPRESSURE: 2634000 205.328 -62.2517 190.747 21.8043 348.749 70.935 201.666 44.8076 -226.775 PRESSAVG: 2634000 48.6908 34.8277 11.079 34.8276 17.0008 -17.2213 11.079 -17.2212 -14.1478 GPRESSAVG: 2634000 48.6359 35.8376 13.9637 37.0513 17.1854 -12.397 11.4193 -19.607 -15.2271 TIMING: 2634000 CPU: 8398.11, 0.00311953/step Wall: 8398.11, 0.00311953/step, 2.05022 hours remaining, 234.074219 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: 2634000 4036.6246 20550.0596 14428.5716 260.4970 -203705.4145 2653.4924 0.0000 0.0000 52268.4279 -109507.7413 300.3874 -161776.1692 -109145.0691 300.0816 86.2335 109.1005 759859.0923 17.1813 16.8647 PRESSURE: 2634200 -32.4012 49.29 -109.869 49.2895 -256.854 27.8925 -109.869 27.8929 46.6231 GPRESSURE: 2634200 -28.7566 115.121 -187.941 35.475 -166.172 -36.3179 -14.6766 -69.1971 37.8572 PRESSAVG: 2634200 37.0998 4.70779 17.3254 4.70776 21.8784 -34.3195 17.3255 -34.3196 22.2359 GPRESSAVG: 2634200 36.2877 2.53983 15.2396 4.33085 21.4692 -36.5982 17.074 -32.3858 23.4435 TIMING: 2634200 CPU: 8398.73, 0.00312143/step Wall: 8398.73, 0.00312143/step, 2.0513 hours remaining, 234.074219 MB of memory in use. ENERGY: 2634200 3966.1648 20521.8771 14481.4986 258.0107 -203115.7253 2386.1779 0.0000 0.0000 52026.2786 -109475.7176 298.9957 -161501.9962 -109110.7144 299.5754 -80.8773 -52.3570 759544.9945 27.0714 27.0668 PRESSURE: 2634400 -226.74 88.9794 166.481 88.9791 -121.838 -304.411 166.481 -304.412 -32.5071 GPRESSURE: 2634400 -211.086 65.1151 233.099 -31.574 -38.4967 -278.666 270.796 -318.748 -26.959 PRESSAVG: 2634400 32.9065 -2.28709 32.4514 -2.28706 -54.4337 -53.8441 32.4514 -53.8439 -0.581819 GPRESSAVG: 2634400 32.0483 1.05304 33.4533 -2.4415 -54.0466 -52.4011 32.5316 -56.094 -0.53363 TIMING: 2634400 CPU: 8399.35, 0.00311472/step Wall: 8399.35, 0.00311472/step, 2.04671 hours remaining, 234.074219 MB of memory in use. ENERGY: 2634400 4012.2975 20635.3117 14454.5171 252.4305 -203303.3779 2426.5795 0.0000 0.0000 51908.2796 -109613.9620 298.3176 -161522.2416 -109257.7621 299.7755 -127.0281 -92.1807 761133.3263 -7.3697 -7.5106 PRESSURE: 2634600 103.529 -127.384 56.9284 -127.384 14.1628 -193.134 56.9288 -193.134 120.836 GPRESSURE: 2634600 84.2519 -151.826 121.573 -208.704 126.423 -200.136 173.322 -32.1697 127.667 PRESSAVG: 2634600 54.4168 19.4894 -40.2062 19.4894 -50.4766 11.3773 -40.2062 11.3772 -0.961775 GPRESSAVG: 2634600 55.624 18.0008 -40.046 19.2725 -50.1233 8.87652 -39.7746 14.6837 -1.92819 TIMING: 2634600 CPU: 8399.98, 0.00312984/step Wall: 8399.98, 0.00312984/step, 2.05648 hours remaining, 234.074219 MB of memory in use. ENERGY: 2634600 3967.4767 20439.8060 14491.3577 231.9331 -203520.1446 2600.7357 0.0000 0.0000 52012.2020 -109776.6335 298.9148 -161788.8355 -109412.9680 299.2603 79.5092 112.7805 760355.6384 0.9928 1.1908 PRESSURE: 2634800 -55.5181 -87.5074 -191.269 -87.5073 3.80397 -27.9818 -191.269 -27.9811 -258.305 GPRESSURE: 2634800 -29.8467 -71.5597 -216.449 -16.2191 71.7191 -127.365 -167.402 117.823 -290.787 PRESSAVG: 2634800 47.3686 11.9568 5.713 11.9568 -24.1298 -55.6636 5.71304 -55.6637 12.7391 GPRESSAVG: 2634800 48.0014 11.2097 7.61437 12.8809 -25.2129 -55.0069 3.42746 -57.7833 12.438 TIMING: 2634800 CPU: 8400.6, 0.00312745/step Wall: 8400.6, 0.00312745/step, 2.05473 hours remaining, 234.074219 MB of memory in use. ENERGY: 2634800 3989.3658 20529.4003 14490.3129 245.2186 -203373.0121 2455.2657 0.0000 0.0000 52011.6217 -109651.8271 298.9115 -161663.4488 -109288.1263 299.3497 -103.3396 -82.9714 760723.5550 11.9926 11.7422 PRESSURE: 2635000 5.67891 27.567 -176.303 27.5673 -78.782 57.9934 -176.304 57.9943 127.427 GPRESSURE: 2635000 84.8651 -9.74411 -157.182 -3.17648 -118.991 87.9338 -121.339 -40.209 178.515 PRESSAVG: 2635000 15.5251 25.109 -25.6167 25.1089 18.397 -20.4536 -25.6168 -20.4536 -20.7904 GPRESSAVG: 2635000 14.0765 25.9912 -26.8945 24.8224 18.7406 -17.2558 -23.8299 -20.2007 -19.8248 TIMING: 2635000 CPU: 8401.23, 0.00312881/step Wall: 8401.23, 0.00312881/step, 2.05546 hours remaining, 234.074219 MB of memory in use. ENERGY: 2635000 3964.4541 20584.6209 14546.9760 218.3154 -203324.3581 2401.4806 0.0000 0.0000 51987.6425 -109620.8686 298.7737 -161608.5111 -109260.0974 299.0523 18.1078 48.1297 760570.3382 4.3772 4.3308 PRESSURE: 2635200 -219.954 189.027 -108.675 189.027 -178.35 65.1565 -108.675 65.1563 -418.736 GPRESSURE: 2635200 -148.629 229.847 18.8628 194.468 -139.554 -14.961 -82.4308 -49.2211 -449.867 PRESSAVG: 2635200 53.1082 12.5335 17.7315 12.5335 -49.4947 -21.11 17.7315 -21.1101 16.8702 GPRESSAVG: 2635200 54.1887 12.0011 17.3375 12.7354 -49.6797 -24.3505 19.4316 -20.7145 16.1597 TIMING: 2635200 CPU: 8401.86, 0.00315276/step Wall: 8401.86, 0.00315276/step, 2.07101 hours remaining, 234.074219 MB of memory in use. ENERGY: 2635200 4047.2315 20365.1993 14479.0101 229.6725 -203365.3150 2383.3627 0.0000 0.0000 51898.7207 -109962.1183 298.2627 -161860.8390 -109600.6074 298.6101 -272.3467 -246.0168 761725.3675 6.8279 6.8896 PRESSURE: 2635400 -144.571 11.3347 -27.3055 11.3342 -524.709 -254.556 -27.3041 -254.556 -466.693 GPRESSURE: 2635400 -77.4273 16.638 14.8731 -24.2209 -472.66 -195.659 -0.785396 -288.529 -491.395 PRESSAVG: 2635400 51.3898 45.9043 -3.17535 45.9043 -20.4229 -54.6332 -3.17532 -54.6332 -20.4832 GPRESSAVG: 2635400 51.33 45.1608 -2.00686 49.2043 -20.6253 -51.7657 -4.81215 -56.424 -19.8194 TIMING: 2635400 CPU: 8402.49, 0.00315151/step Wall: 8402.49, 0.00315151/step, 2.07002 hours remaining, 234.074219 MB of memory in use. ENERGY: 2635400 4026.9471 20476.2813 14430.7098 248.8940 -203427.8453 2281.7557 0.0000 0.0000 52018.3897 -109944.8677 298.9504 -161963.2574 -109580.2400 298.2852 -378.6580 -347.1608 761142.1921 3.4946 3.6284 PRESSURE: 2635600 -149.859 -40.2466 65.789 -40.2467 -169.854 -35.4324 65.7881 -35.4328 -610.203 GPRESSURE: 2635600 -142.399 -3.94729 25.2881 -120.822 -152.453 -54.9985 110.949 13.1793 -554.743 PRESSAVG: 2635600 24.5237 9.73201 -1.81115 9.732 -15.9256 -8.63631 -1.81108 -8.63639 3.60073 GPRESSAVG: 2635600 24.1855 11.0341 -3.55939 5.95697 -15.9705 -9.01429 -3.37481 -7.77635 4.04488 TIMING: 2635600 CPU: 8403.12, 0.00314618/step Wall: 8403.12, 0.00314618/step, 2.06634 hours remaining, 234.074219 MB of memory in use. ENERGY: 2635600 4045.5040 20608.0993 14395.7237 253.2651 -203179.0839 2041.3713 0.0000 0.0000 51979.1599 -109855.9607 298.7249 -161835.1206 -109495.8861 298.7311 -309.9719 -283.1983 761573.8021 4.0663 4.0866 PRESSURE: 2635800 -122.982 -197.801 -133.611 -197.8 -130.415 227.585 -133.612 227.585 -39.7234 GPRESSURE: 2635800 -104.173 -265.808 -122.061 -221.251 -78.2022 232.164 -164.345 255.136 -13.9898 PRESSAVG: 2635800 126.671 14.4539 20.2678 14.4539 -70.1221 21.561 20.2678 21.5609 6.23698 GPRESSAVG: 2635800 126.943 13.0186 21.0531 16.8799 -69.7261 23.0746 19.1994 20.9716 5.40658 TIMING: 2635800 CPU: 8403.75, 0.00314085/step Wall: 8403.75, 0.00314085/step, 2.06266 hours remaining, 234.074219 MB of memory in use. ENERGY: 2635800 4025.8885 20581.7797 14394.1506 246.6323 -203182.2092 2202.0187 0.0000 0.0000 51874.5496 -109857.1899 298.1237 -161731.7395 -109491.2980 298.8306 -97.7070 -65.4550 760892.8199 20.9286 20.8746 PRESSURE: 2636000 11.1852 39.7014 106.94 39.7014 -268.823 113.2 106.939 113.199 247.425 GPRESSURE: 2636000 -26.6512 13.8216 43.8951 50.4955 -173.659 71.5098 10.476 79.3955 247.784 PRESSAVG: 2636000 71.8124 23.7409 27.7378 23.741 -64.141 5.74036 27.7377 5.74044 -0.950815 GPRESSAVG: 2636000 71.4413 25.104 27.8263 23.2639 -65.0254 3.61294 29.3155 6.87752 -0.786962 TIMING: 2636000 CPU: 8404.38, 0.00315722/step Wall: 8404.38, 0.00315722/step, 2.07324 hours remaining, 234.074219 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: 2636000 4070.2431 20552.4755 14510.6158 240.0380 -203217.3380 2185.4500 0.0000 0.0000 51827.5875 -109830.9281 297.8539 -161658.5156 -109468.5637 298.5583 -3.4044 15.8245 760215.5938 2.2402 1.8763 PRESSURE: 2636200 -231.193 53.191 108.77 53.1902 -9.05613 132.217 108.77 132.217 41.1815 GPRESSURE: 2636200 -204.915 -11.2229 68.3645 228.137 90.5229 56.0156 114.565 3.22866 11.1666 PRESSAVG: 2636200 27.0219 4.22236 11.4776 4.22238 3.40863 19.5066 11.4776 19.5065 -6.85583 GPRESSAVG: 2636200 27.5658 1.30423 10.618 5.81107 3.62564 20.8693 12.0497 19.5598 -7.8842 TIMING: 2636200 CPU: 8405.01, 0.00313539/step Wall: 8405.01, 0.00313539/step, 2.05873 hours remaining, 234.074219 MB of memory in use. ENERGY: 2636200 4030.5470 20633.4472 14424.7923 243.5781 -203687.1338 2692.3217 0.0000 0.0000 51992.0460 -109670.4016 298.7990 -161662.4476 -109310.5893 299.0327 -66.3558 -34.4086 759045.0856 7.8582 7.7691 LDB: ============= START OF LOAD BALANCING ============== 8417.43 LDB: ============== END OF LOAD BALANCING =============== 8417.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8417.43 LDB: ============= START OF LOAD BALANCING ============== 8417.75 LDB: Largest compute 7036 load 0.033767 is 17.3% of average load 0.195493 LDB: Average compute 0.004380 is 2.2% of average load 0.195493 LDB: TIME 8417.75 LOAD: AVG 0.195493 MAX 0.215119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.199 MB LDB: TIME 8417.75 LOAD: AVG 0.195493 MAX 0.215119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 8417.75 LOAD: AVG 0.195493 MAX 0.215119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 8417.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8417.76 PRESSURE: 2636400 184.51 -141.941 106.181 -141.941 -400.775 -68.9461 106.181 -68.9474 272.369 GPRESSURE: 2636400 224.807 -83.5128 195.453 -141.703 -353.199 -96.2364 46.9735 -44.207 267.185 PRESSAVG: 2636400 42.122 -11.327 -60.0017 -11.327 -12.2441 34.1723 -60.0017 34.1723 34.9676 GPRESSAVG: 2636400 40.0356 -8.55071 -59.3742 -13.1539 -10.153 33.2978 -60.4952 33.9051 35.1499 TIMING: 2636400 CPU: 8405.65, 0.00321803/step Wall: 8405.65, 0.00321803/step, 2.11281 hours remaining, 234.906250 MB of memory in use. ENERGY: 2636400 3971.6831 20476.6612 14376.7356 244.6025 -203500.3286 2553.7772 0.0000 0.0000 52308.5758 -109568.2933 300.6181 -161876.8691 -109195.3625 299.4718 18.7014 46.2646 760684.7469 21.6152 21.6775 PRESSURE: 2636600 265.268 291.373 -189.404 291.373 211.697 269.379 -189.404 269.379 -163.979 GPRESSURE: 2636600 208.494 351.133 -67.044 221.284 204.464 303.355 -232.153 178.646 -30.4235 PRESSAVG: 2636600 21.6547 -49.9916 -58.7457 -49.9916 -18.3519 -7.04955 -58.7456 -7.04946 10.7771 GPRESSAVG: 2636600 21.841 -48.4329 -58.9141 -53.3604 -19.7392 -5.14583 -61.2357 -8.5706 11.7672 TIMING: 2636600 CPU: 8406.28, 0.00315185/step Wall: 8406.28, 0.00315185/step, 2.06919 hours remaining, 235.105469 MB of memory in use. ENERGY: 2636600 3962.0229 20529.6353 14450.0919 256.4255 -203502.9951 2801.0120 0.0000 0.0000 51765.2041 -109738.6035 297.4953 -161503.8076 -109393.1356 298.9732 104.3288 127.5115 760509.7558 4.6933 4.6230 PRESSURE: 2636800 79.7164 -61.475 81.8855 -61.4742 -298.863 6.05463 81.886 6.05352 190.387 GPRESSURE: 2636800 67.6349 -23.3328 28.4384 24.2839 -278.515 -85.4194 89.5165 -14.6334 272.159 PRESSAVG: 2636800 -19.8356 -1.07794 -15.5872 -1.07793 -14.8229 6.07038 -15.5873 6.07036 4.0977 GPRESSAVG: 2636800 -19.2452 -4.19411 -16.0498 3.04278 -15.2593 4.7263 -14.8817 6.86755 4.09485 TIMING: 2636800 CPU: 8406.91, 0.00314013/step Wall: 8406.91, 0.00314013/step, 2.06132 hours remaining, 235.105469 MB of memory in use. ENERGY: 2636800 3939.7295 20547.2891 14398.0842 240.2533 -203522.8101 2567.2922 0.0000 0.0000 52062.2284 -109767.9333 299.2023 -161830.1617 -109410.2602 298.6820 -9.5865 20.4261 760374.9158 -10.1869 -10.1366 PRESSURE: 2637000 81.4629 24.0854 197.856 24.0853 -296.543 20.707 197.856 20.7068 -55.7714 GPRESSURE: 2637000 147.234 48.2708 157.483 -10.8556 -266.47 4.04862 188.032 -10.7277 -38.2681 PRESSAVG: 2637000 21.7689 -5.80664 -16.3604 -5.80662 -10.5311 -27.2679 -16.3605 -27.2679 -2.53899 GPRESSAVG: 2637000 21.2627 -3.50027 -16.9608 -8.03745 -10.0621 -27.1771 -13.5328 -28.7078 -2.9777 TIMING: 2637000 CPU: 8407.54, 0.00313123/step Wall: 8407.54, 0.00313123/step, 2.05531 hours remaining, 235.105469 MB of memory in use. ENERGY: 2637000 4010.0138 20498.4551 14466.0000 247.6059 -204034.3008 2821.8344 0.0000 0.0000 51977.5963 -110012.7954 298.7160 -161990.3917 -109644.2799 298.7596 -90.2839 -52.5015 761166.5914 2.8996 2.7410 PRESSURE: 2637200 57.8753 -29.4349 29.1326 -29.4356 -327.459 -40.0161 29.1324 -40.0172 -56.4879 GPRESSURE: 2637200 1.2546 42.9709 78.2349 39.9633 -279.907 7.18165 17.2042 -53.2783 48.9732 PRESSAVG: 2637200 16.352 -29.7406 15.1759 -29.7406 3.04684 -18.8681 15.1759 -18.8681 -3.3065 GPRESSAVG: 2637200 16.723 -28.8592 16.5414 -30.4855 2.57658 -19.5207 13.8819 -17.4708 -3.61164 TIMING: 2637200 CPU: 8408.16, 0.00313875/step Wall: 8408.16, 0.00313875/step, 2.06006 hours remaining, 235.105469 MB of memory in use. ENERGY: 2637200 4054.5457 20363.1755 14419.8388 249.4230 -203649.4501 2544.2004 0.0000 0.0000 51851.9847 -110166.2820 297.9941 -162018.2667 -109804.1150 298.5308 -108.6907 -76.5596 761494.0788 5.3641 5.2293 PRESSURE: 2637400 -270.929 338.614 114.822 338.613 284.605 14.8357 114.822 14.8353 345.43 GPRESSURE: 2637400 -169.566 236.852 94.5956 355.241 222.927 -11.2848 247.262 97.5487 388.444 PRESSAVG: 2637400 -22.2388 -2.32919 -60.9191 -2.32919 47.5525 66.4863 -60.9191 66.4862 38.3901 GPRESSAVG: 2637400 -22.5194 -5.84205 -60.9999 -0.36261 47.6885 65.7523 -59.9148 67.2118 38.0897 TIMING: 2637400 CPU: 8408.8, 0.00317895/step Wall: 8408.8, 0.00317895/step, 2.08627 hours remaining, 235.105469 MB of memory in use. ENERGY: 2637400 3972.8608 20516.8321 14457.6762 238.7351 -203628.1558 2603.6854 0.0000 0.0000 51931.9918 -109906.3744 298.4539 -161838.3662 -109546.6825 298.2532 119.7019 147.2682 758810.3305 21.2346 21.0863 PRESSURE: 2637600 449.102 85.9386 119.776 85.9379 7.56244 102.621 119.775 102.621 30.0998 GPRESSURE: 2637600 391.556 34.2949 84.9597 148.022 62.0827 82.0253 80.0835 130.246 118.137 PRESSAVG: 2637600 2.24382 18.8612 -1.15648 18.8612 30.056 -41.9415 -1.1565 -41.9415 28.7563 GPRESSAVG: 2637600 1.22332 20.0491 -1.80498 18.9282 29.4211 -41.2186 -1.52026 -40.5693 29.7307 TIMING: 2637600 CPU: 8409.43, 0.00317906/step Wall: 8409.43, 0.00317906/step, 2.08617 hours remaining, 235.105469 MB of memory in use. ENERGY: 2637600 3959.0924 20420.6934 14406.5717 253.4536 -203867.6089 2729.6712 0.0000 0.0000 52256.8354 -109841.2913 300.3208 -162098.1267 -109469.1710 298.9355 162.2547 190.5919 757933.1338 20.3520 20.1251 PRESSURE: 2637800 -261.746 76.4137 350.77 76.4141 -277.74 86.6773 350.771 86.6777 122.229 GPRESSURE: 2637800 -230.579 88.4597 319.434 13.8374 -234.668 135.236 280.764 88.6134 153.491 PRESSAVG: 2637800 -41.8349 -45.7587 42.4516 -45.7588 -3.36508 11.6939 42.4515 11.6939 7.45808 GPRESSAVG: 2637800 -40.4518 -45.1146 44.0522 -46.6215 -2.80597 12.8068 41.0003 11.5027 5.82739 TIMING: 2637800 CPU: 8410.06, 0.00314784/step Wall: 8410.06, 0.00314784/step, 2.06551 hours remaining, 235.105469 MB of memory in use. ENERGY: 2637800 3960.1280 20375.0231 14496.1376 222.2193 -203002.7913 2230.9934 0.0000 0.0000 51937.2740 -109781.0158 298.4842 -161718.2898 -109418.9830 298.7781 -139.0855 -103.9187 759956.1409 -12.5806 -12.4768 PRESSURE: 2638000 -134.887 67.799 284.02 67.7995 32.1115 67.436 284.019 67.4355 89.1833 GPRESSURE: 2638000 -55.2331 53.5276 282.415 130.702 74.2577 67.3265 321.823 9.53111 46.9358 PRESSAVG: 2638000 -42.9556 -10.1862 9.18016 -10.1862 32.3839 -3.87303 9.18017 -3.87307 -1.03182 GPRESSAVG: 2638000 -43.2515 -9.05084 9.94625 -11.5612 31.6606 -2.86994 9.70724 -6.24687 -0.483799 TIMING: 2638000 CPU: 8410.69, 0.00313485/step Wall: 8410.69, 0.00313485/step, 2.05681 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2638000 3983.1790 20319.9888 14431.1236 234.7868 -202881.0657 2214.3345 0.0000 0.0000 51822.6099 -109875.0431 297.8253 -161697.6530 -109523.8435 298.9503 -4.5306 21.9868 759913.8259 -3.8679 -4.0249 PRESSURE: 2638200 -59.2274 91.0222 5.63565 91.0224 -76.2563 -164.381 5.63614 -164.381 -90.8669 GPRESSURE: 2638200 -44.0645 184.586 -16.3162 -21.8496 -115.623 -155.619 15.0855 -43.7642 10.2585 PRESSAVG: 2638200 -69.2608 -1.13258 -4.32035 -1.13261 65.7527 57.8659 -4.32033 57.8659 11.0663 GPRESSAVG: 2638200 -69.4204 -2.71835 -6.31277 -0.301855 65.1285 58.3186 -4.66471 58.9016 11.1192 TIMING: 2638200 CPU: 8411.32, 0.00315131/step Wall: 8411.32, 0.00315131/step, 2.06744 hours remaining, 235.105469 MB of memory in use. ENERGY: 2638200 3970.2897 20480.3947 14480.8751 228.2465 -202839.8863 2209.4609 0.0000 0.0000 51602.7679 -109867.8515 296.5618 -161470.6193 -109508.6519 298.2236 -75.4502 -49.8097 761580.2665 2.5194 2.2758 PRESSURE: 2638400 -289.636 16.7899 -5.15749 16.7896 -276.319 -28.3265 -5.15765 -28.326 129.164 GPRESSURE: 2638400 -265.367 -49.7548 41.1446 -45.9963 -201.54 27.1659 91.9492 -48.7102 124.98 PRESSAVG: 2638400 4.50347 56.6074 10.7759 56.6074 -15.4278 2.46538 10.7758 2.4653 -5.01333 GPRESSAVG: 2638400 4.91412 55.8556 10.2907 57.912 -15.4112 1.11129 12.0261 1.61341 -5.66929 TIMING: 2638400 CPU: 8411.95, 0.00315677/step Wall: 8411.95, 0.00315677/step, 2.07084 hours remaining, 235.105469 MB of memory in use. ENERGY: 2638400 3993.5824 20191.4203 14517.7190 222.0555 -203295.3126 2394.9464 0.0000 0.0000 51743.3442 -110232.2448 297.3697 -161975.5890 -109892.4341 297.3448 -145.5970 -113.9758 760250.6351 -5.3126 -5.3888 PRESSURE: 2638600 -112.139 124.617 -61.5221 124.616 -162.922 -6.28567 -61.5219 -6.28488 -152.76 GPRESSURE: 2638600 -40.9711 44.161 -120.764 125.701 -203.65 -3.80486 -46.1369 29.9743 -94.758 PRESSAVG: 2638600 -26.4563 54.5984 -48.9133 54.5984 22.3864 -28.5858 -48.9133 -28.5857 -4.75891 GPRESSAVG: 2638600 -28.1307 56.0498 -48.2002 53.5501 22.2839 -27.433 -50.5812 -28.8298 -3.75204 TIMING: 2638600 CPU: 8412.58, 0.00315676/step Wall: 8412.58, 0.00315676/step, 2.07066 hours remaining, 235.105469 MB of memory in use. ENERGY: 2638600 3946.1444 20295.9322 14419.7461 253.2182 -203068.7358 2277.0622 0.0000 0.0000 51591.9521 -110284.6807 296.4997 -161876.6328 -109928.8498 297.0330 -142.6072 -113.1265 761324.7202 -2.9429 -3.1996 PRESSURE: 2638800 -215.885 -158.5 -222.843 -158.5 -203.419 -102.087 -222.842 -102.087 -188.242 GPRESSURE: 2638800 -104.185 -147.192 -94.208 -77.6482 -233.209 -23.5258 -6.65944 -78.0522 -192.401 PRESSAVG: 2638800 0.831257 56.2962 -26.5342 56.2961 21.6902 2.21908 -26.5341 2.21898 -1.32439 GPRESSAVG: 2638800 2.26783 55.0642 -27.0103 56.7622 20.0862 0.981373 -25.7745 3.72586 -1.56176 TIMING: 2638800 CPU: 8413.21, 0.00313219/step Wall: 8413.21, 0.00313219/step, 2.05437 hours remaining, 235.105469 MB of memory in use. ENERGY: 2638800 3910.7944 20444.1285 14465.7647 240.5500 -203375.5871 2306.7318 0.0000 0.0000 51973.6380 -110033.9797 298.6932 -162007.6177 -109676.4735 297.3772 -202.5155 -176.5986 761566.4028 7.0657 6.9308 PRESSURE: 2639000 -83.6927 63.1986 106.016 63.1981 -130.37 161.955 106.016 161.953 -233.061 GPRESSURE: 2639000 -74.1825 27.5812 87.4193 8.89691 -88.646 141.2 0.0953238 118.461 -201.501 PRESSAVG: 2639000 43.4794 14.1599 -2.88995 14.1599 -50.628 -41.4403 -2.8899 -41.4402 -2.45434 GPRESSAVG: 2639000 42.913 15.2548 -2.93734 12.7599 -49.4711 -40.5824 -2.04147 -43.1549 -3.42732 TIMING: 2639000 CPU: 8413.84, 0.00316068/step Wall: 8413.84, 0.00316068/step, 2.07288 hours remaining, 235.105469 MB of memory in use. ENERGY: 2639000 3944.1551 20474.8159 14438.9024 244.7257 -203078.2893 2236.0701 0.0000 0.0000 51788.8224 -109950.7977 297.6311 -161739.6201 -109593.3423 297.7806 -149.0411 -121.4430 761584.2580 -3.2010 -3.3285 PRESSURE: 2639200 -206.413 -44.337 92.9876 -44.3373 -31.3989 160.166 92.9875 160.166 182.403 GPRESSURE: 2639200 -140.56 -57.0889 70.877 -3.19467 -45.1102 141.709 14.3911 -48.2012 192.43 PRESSAVG: 2639200 -4.4483 27.2686 29.3485 27.2686 -12.2636 -1.23249 29.3485 -1.23252 -23.5944 GPRESSAVG: 2639200 -4.14265 25.8889 30.5235 29.6415 -11.5511 -1.45279 27.2373 0.316806 -24.0627 TIMING: 2639200 CPU: 8414.47, 0.00314216/step Wall: 8414.47, 0.00314216/step, 2.06056 hours remaining, 235.175781 MB of memory in use. ENERGY: 2639200 4041.7193 20513.3702 14486.1338 225.7018 -203329.1397 2400.9621 0.0000 0.0000 51793.1150 -109868.1377 297.6557 -161661.2527 -109509.3306 297.7502 -18.4699 2.2533 760421.8174 -13.4354 -13.2522 PRESSURE: 2639400 168.815 15.9082 -187.985 15.9079 -72.4483 233.649 -187.986 233.65 40.2898 GPRESSURE: 2639400 133.036 -45.2714 -136.709 -60.4872 -9.85955 322.737 -166.616 73.4445 92.857 PRESSAVG: 2639400 27.6205 -19.3357 -1.63057 -19.3357 -61.5185 32.045 -1.63052 32.0451 14.6517 GPRESSAVG: 2639400 27.5343 -18.9512 -2.82201 -22.0497 -61.8571 31.8022 0.16391 29.518 15.0454 TIMING: 2639400 CPU: 8415.1, 0.00314414/step Wall: 8415.1, 0.00314414/step, 2.06168 hours remaining, 235.175781 MB of memory in use. ENERGY: 2639400 3878.3881 20479.1368 14454.6319 253.0521 -203310.4701 2451.0886 0.0000 0.0000 51878.6414 -109915.5312 298.1473 -161794.1726 -109547.9007 297.8723 45.5522 72.0110 761637.7661 -6.4155 -6.4258 PRESSURE: 2639600 25.5246 -112.543 -97.1199 -112.545 20.4498 -135.722 -97.1199 -135.721 6.16896 GPRESSURE: 2639600 86.373 -83.7391 -28.7953 102.146 99.0944 -79.5219 -246.148 -21.4315 -44.7068 PRESSAVG: 2639600 109.542 13.466 32.968 13.466 -74.6734 14.2399 32.9681 14.2398 -10.0228 GPRESSAVG: 2639600 108.686 13.0971 32.5747 16.9129 -74.5092 13.7178 32.847 16.6848 -9.8855 TIMING: 2639600 CPU: 8415.73, 0.00312873/step Wall: 8415.73, 0.00312873/step, 2.0514 hours remaining, 235.175781 MB of memory in use. ENERGY: 2639600 3931.9222 20530.3150 14493.1571 243.4657 -203481.3140 2426.0619 0.0000 0.0000 51791.0371 -110065.3550 297.6438 -161856.3921 -109707.8804 298.2702 17.3811 46.9202 759480.7168 8.2820 8.0972 PRESSURE: 2639800 167.1 -17.0932 -29.5161 -17.0936 -229.437 -63.4786 -29.5145 -63.4791 -230.398 GPRESSURE: 2639800 195.171 80.8336 15.8513 -99.5736 -101.955 -101.909 60.7851 -62.0137 -298.001 PRESSAVG: 2639800 5.62011 -9.46409 9.92557 -9.46411 -32.8794 5.66427 9.92567 5.66424 1.94866 GPRESSAVG: 2639800 7.41476 -8.67355 10.367 -11.9928 -33.9392 6.36115 8.31803 3.98226 1.4798 TIMING: 2639800 CPU: 8416.35, 0.00313867/step Wall: 8416.35, 0.00313867/step, 2.05775 hours remaining, 235.175781 MB of memory in use. ENERGY: 2639800 3992.0096 20597.1206 14544.2168 256.9260 -203623.7427 2706.4742 0.0000 0.0000 51818.8884 -109708.1071 297.8039 -161526.9955 -109355.8971 297.9494 -97.5779 -68.2619 761677.1450 -8.4369 -8.3482 PRESSURE: 2640000 216.244 61.5877 -14.915 61.5868 303.257 -253.689 -14.9155 -253.689 37.4286 GPRESSURE: 2640000 227.253 131.2 80.3495 -6.75983 343.696 -299.039 -6.50938 -120.409 59.3024 PRESSAVG: 2640000 58.699 -17.3101 14.2867 -17.3101 -27.7686 -4.95109 14.2867 -4.95115 -14.9449 GPRESSAVG: 2640000 58.0286 -16.2314 15.6908 -15.8747 -27.7316 -5.76331 15.1143 -1.74372 -14.4029 TIMING: 2640000 CPU: 8416.98, 0.00315113/step Wall: 8416.98, 0.00315113/step, 2.06574 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2640000 3932.0324 20414.9392 14501.2511 245.2789 -203792.6172 2870.1931 0.0000 0.0000 52122.7239 -109706.1986 299.5500 -161828.9226 -109350.4220 298.6635 185.6432 210.0838 762650.8122 5.3285 5.2980 PRESSURE: 2640200 232.56 -290.907 -179.801 -290.906 30.1528 79.4587 -179.801 79.4584 93.2359 GPRESSURE: 2640200 183.565 -296.702 -234.611 -132.82 128.965 16.07 -144.773 223.512 104.904 PRESSAVG: 2640200 -8.18163 -41.7261 -16.7762 -41.7261 -28.2042 -14.5781 -16.7762 -14.578 1.15132 GPRESSAVG: 2640200 -8.21633 -44.3277 -17.0653 -39.7255 -28.4709 -15.3154 -18.1001 -16.6576 1.49066 TIMING: 2640200 CPU: 8417.61, 0.00315294/step Wall: 8417.61, 0.00315294/step, 2.06675 hours remaining, 235.175781 MB of memory in use. ENERGY: 2640200 3989.6214 20581.7189 14470.0529 243.8456 -203322.2819 2630.4560 0.0000 0.0000 51981.9908 -109424.5962 298.7412 -161406.5870 -109071.2807 299.3498 118.6496 139.1447 762621.6515 -11.7448 -11.7322 LDB: ============= START OF LOAD BALANCING ============== 8430.04 LDB: ============== END OF LOAD BALANCING =============== 8430.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8430.04 LDB: ============= START OF LOAD BALANCING ============== 8430.35 LDB: Largest compute 7033 load 0.032338 is 16.5% of average load 0.195436 LDB: Average compute 0.004406 is 2.3% of average load 0.195436 LDB: TIME 8430.36 LOAD: AVG 0.195436 MAX 0.214768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 8430.36 LOAD: AVG 0.195436 MAX 0.214768 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: TIME 8430.36 LOAD: AVG 0.195436 MAX 0.214768 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: ============== END OF LOAD BALANCING =============== 8430.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8430.36 PRESSURE: 2640400 96.418 -125.298 127.666 -125.3 81.9773 47.6423 127.666 47.6438 111.838 GPRESSURE: 2640400 141.529 75.1718 96.6507 -149.287 84.8533 -73.8121 114.363 74.1819 164.547 PRESSAVG: 2640400 22.2186 -0.75965 6.33017 -0.759714 -15.5488 -7.60722 6.33018 -7.60725 2.34218 GPRESSAVG: 2640400 20.9768 1.60748 5.0206 -3.87261 -14.8168 -5.78553 7.85453 -7.30256 2.65075 TIMING: 2640400 CPU: 8418.26, 0.00321376/step Wall: 8418.26, 0.00321376/step, 2.10644 hours remaining, 234.394531 MB of memory in use. ENERGY: 2640400 3938.0817 20551.9905 14449.0158 244.0852 -202587.0349 2063.8795 0.0000 0.0000 52047.5672 -109292.4149 299.1181 -161339.9821 -108925.8061 299.2299 96.7444 130.3097 760304.0929 3.0040 2.9369 PRESSURE: 2640600 -204.735 21.6553 -82.0678 21.6551 254.139 -189.767 -82.0676 -189.766 211.182 GPRESSURE: 2640600 -138.69 -11.3547 -74.0881 -66.1014 281.342 -171.333 -89.4732 -261.647 198.27 PRESSAVG: 2640600 13.8522 -24.3918 -0.379126 -24.3918 -26.3992 -28.7327 -0.37916 -28.7327 -13.436 GPRESSAVG: 2640600 16.1891 -25.447 0.0485887 -22.3935 -27.5246 -30.498 -0.439381 -28.0269 -14.5934 TIMING: 2640600 CPU: 8418.89, 0.0031538/step Wall: 8418.89, 0.0031538/step, 2.06696 hours remaining, 234.394531 MB of memory in use. ENERGY: 2640600 3932.3924 20423.8656 14490.6994 251.4937 -202969.4070 2459.7115 0.0000 0.0000 52086.3867 -109324.8577 299.3412 -161411.2444 -108949.8332 299.8665 86.8619 113.6406 760091.0752 -8.6610 -8.6429 PRESSURE: 2640800 183.892 20.463 125.515 20.463 336.655 -72.0917 125.514 -72.0909 -164.068 GPRESSURE: 2640800 181.977 18.4761 133.606 12.0129 304.105 -54.4779 -44.7849 -167.594 -37.1009 PRESSAVG: 2640800 -72.0846 -6.87982 5.17309 -6.87976 14.5168 -47.45 5.17308 -47.45 10.2242 GPRESSAVG: 2640800 -73.626 -7.66068 5.72344 -5.38862 16.0712 -45.8931 3.57395 -49.3483 10.6912 TIMING: 2640800 CPU: 8419.52, 0.00315912/step Wall: 8419.52, 0.00315912/step, 2.07028 hours remaining, 234.394531 MB of memory in use. ENERGY: 2640800 3959.4620 20500.2652 14470.8996 226.7301 -203782.4167 3007.0507 0.0000 0.0000 52227.9672 -109390.0418 300.1548 -161618.0090 -109029.6297 299.3033 118.8263 149.6604 760099.4885 -15.7812 -15.6212 PRESSURE: 2641000 -95.0476 -179.35 -49.9674 -179.35 40.571 -48.2729 -49.9672 -48.2734 -97.0193 GPRESSURE: 2641000 -23.8295 -33.7576 34.8661 -160.205 45.7655 -29.3577 22.8836 60.9511 -81.4083 PRESSAVG: 2641000 3.10303 -31.1173 24.7959 -31.1173 8.197 -6.16238 24.7959 -6.16241 -1.39907 GPRESSAVG: 2641000 2.95405 -31.7175 24.5702 -33.5749 8.7887 -5.2453 25.4089 -7.31049 -1.87343 TIMING: 2641000 CPU: 8420.15, 0.00314288/step Wall: 8420.15, 0.00314288/step, 2.05946 hours remaining, 234.394531 MB of memory in use. ENERGY: 2641000 3990.2796 20592.0870 14473.3907 250.9859 -203071.1493 2287.8040 0.0000 0.0000 52108.5190 -109368.0830 299.4684 -161476.6020 -109011.4988 299.9953 -50.4986 -19.8241 759709.2238 3.3003 3.2898 PRESSURE: 2641200 126.293 -33.6985 71.7172 -33.6982 78.2812 -219.342 71.7182 -219.341 -174.123 GPRESSURE: 2641200 96.7377 -100.123 218.349 -64.5578 82.7471 -330.686 73.5434 -96.2703 -67.735 PRESSAVG: 2641200 60.9712 13.1613 -18.887 13.1612 -39.7661 -29.1468 -18.887 -29.1468 -10.7031 GPRESSAVG: 2641200 61.3452 14.7679 -17.8411 12.9723 -40.6796 -31.1379 -16.3756 -26.554 -10.0836 TIMING: 2641200 CPU: 8420.78, 0.00313992/step Wall: 8420.78, 0.00313992/step, 2.05734 hours remaining, 234.394531 MB of memory in use. ENERGY: 2641200 4005.0791 20513.1337 14508.3885 227.2732 -203507.2143 2528.8089 0.0000 0.0000 52223.6771 -109500.8539 300.1302 -161724.5310 -109142.6951 299.9394 10.1505 37.2499 759029.8497 3.5007 3.5273 PRESSURE: 2641400 311.163 -219.626 4.95084 -219.627 -7.69718 -201.64 4.95099 -201.64 -153.94 GPRESSURE: 2641400 235.315 -49.7756 12.1897 -215.623 102.073 -240.5 23.7733 -194.598 -124.142 PRESSAVG: 2641400 7.72329 -2.03647 30.5777 -2.03656 -8.65976 5.76786 30.5777 5.76778 -2.84804 GPRESSAVG: 2641400 8.34578 -2.74163 27.7503 -0.704853 -8.90919 5.24165 31.646 7.19295 -3.66324 TIMING: 2641400 CPU: 8421.4, 0.00313281/step Wall: 8421.4, 0.00313281/step, 2.05251 hours remaining, 234.394531 MB of memory in use. ENERGY: 2641400 4014.8357 20464.3957 14409.3208 254.4367 -203333.0711 2542.3412 0.0000 0.0000 51978.8921 -109668.8489 298.7234 -161647.7411 -109317.7161 299.5097 49.8417 71.0820 759833.5927 -1.2615 -1.4089 PRESSURE: 2641600 -69.8174 -54.1632 -52.94 -54.1635 -24.6015 -68.4996 -52.9406 -68.5002 -52.9884 GPRESSURE: 2641600 -45.6367 -108.126 -79.0485 13.9112 30.6416 -38.6912 -115.519 -12.6846 -50.9807 PRESSAVG: 2641600 -35.106 -88.6926 27.1145 -88.6925 14.9867 -22.3384 27.1145 -22.3384 -20.3154 GPRESSAVG: 2641600 -35.9067 -86.76 28.0134 -90.4411 14.995 -21.7735 25.2171 -24.0956 -20.2047 TIMING: 2641600 CPU: 8422.03, 0.00313298/step Wall: 8422.03, 0.00313298/step, 2.05245 hours remaining, 234.394531 MB of memory in use. ENERGY: 2641600 3919.8018 20452.8890 14445.2260 231.4566 -203439.6100 2559.8660 0.0000 0.0000 52153.2282 -109677.1425 299.7253 -161830.3707 -109309.4710 299.5149 -49.1357 -21.9919 761995.4399 -13.4782 -13.7055 PRESSURE: 2641800 -351.937 1.61937 209.832 1.61962 -17.2428 25.4848 209.832 25.4837 -300.842 GPRESSURE: 2641800 -262.711 81.0196 190.757 34.0674 -73.7763 29.1147 201.481 146.397 -230.982 PRESSAVG: 2641800 -17.1154 -48.2947 -10.8279 -48.2947 46.9287 22.9488 -10.8279 22.9488 8.52476 GPRESSAVG: 2641800 -17.031 -52.0027 -9.27164 -46.7947 47.8154 23.1677 -10.9594 24.1036 8.02556 TIMING: 2641800 CPU: 8422.66, 0.00316174/step Wall: 8422.66, 0.00316174/step, 2.07112 hours remaining, 234.394531 MB of memory in use. ENERGY: 2641800 4031.4427 20454.5676 14379.6512 247.8795 -203130.1380 2286.6430 0.0000 0.0000 52050.7998 -109679.1544 299.1367 -161729.9541 -109321.3527 299.4215 -223.3406 -189.1566 759632.3482 12.7793 12.9366 PRESSURE: 2642000 -117.102 102.173 -110.458 102.173 -569.236 -117.141 -110.457 -117.141 230.63 GPRESSURE: 2642000 -52.2074 50.759 -48.9674 68.4352 -480.581 -60.2047 -39.9543 -178.379 172.812 PRESSAVG: 2642000 -14.4592 -8.26574 -6.76074 -8.26579 27.9645 -3.61641 -6.76073 -3.61647 15.5682 GPRESSAVG: 2642000 -14.2352 -5.37924 -7.74813 -9.51628 27.7882 -3.15499 -5.86865 -4.11698 15.4316 TIMING: 2642000 CPU: 8423.29, 0.00314852/step Wall: 8423.29, 0.00314852/step, 2.06228 hours remaining, 234.394531 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: 2642000 3951.4455 20428.2356 14429.3543 231.0523 -203353.1440 2621.9057 0.0000 0.0000 51905.6318 -109785.5188 298.3024 -161691.1505 -109431.8619 299.2727 -151.9026 -119.9922 762389.9169 9.6912 9.6615 PRESSURE: 2642200 207.365 0.300803 75.4869 0.300324 212.502 59.2186 75.4864 59.2185 232.252 GPRESSURE: 2642200 151.863 -89.9681 83.1173 144.46 272.837 92.5174 91.9915 92.8259 305.989 PRESSAVG: 2642200 88.0147 -7.73396 -17.3656 -7.73393 -62.9618 33.6647 -17.3655 33.6646 -2.94162 GPRESSAVG: 2642200 86.7461 -8.47984 -17.0396 -6.57877 -63.5976 33.3368 -17.7906 32.6791 -0.851122 TIMING: 2642200 CPU: 8423.92, 0.0031373/step Wall: 8423.92, 0.0031373/step, 2.05476 hours remaining, 234.394531 MB of memory in use. ENERGY: 2642200 3936.7010 20516.6821 14425.9216 230.4672 -203475.2727 2698.9310 0.0000 0.0000 51974.1616 -109692.4083 298.6962 -161666.5699 -109336.6483 298.7258 217.3730 243.5630 761867.7487 7.3704 7.4325 PRESSURE: 2642400 -270.238 128.144 -118.623 128.143 62.9402 233.535 -118.624 233.534 218.313 GPRESSURE: 2642400 -130.624 141.889 -169.155 89.7888 76.3085 228.88 -46.3416 101.382 165.124 PRESSAVG: 2642400 50.5248 -31.6241 7.64964 -31.6242 -21.017 -7.88337 7.64968 -7.88334 -2.14185 GPRESSAVG: 2642400 51.207 -32.0918 9.14605 -32.2509 -20.3098 -7.84144 7.00144 -7.50004 -3.60464 TIMING: 2642400 CPU: 8424.55, 0.00315464/step Wall: 8424.55, 0.00315464/step, 2.06594 hours remaining, 234.394531 MB of memory in use. ENERGY: 2642400 3967.0009 20230.6941 14480.8442 237.1119 -203070.1068 2251.3879 0.0000 0.0000 52180.1676 -109722.9003 299.8801 -161903.0678 -109358.5797 298.6308 3.6717 36.9360 761488.0969 9.1220 9.0975 PRESSURE: 2642600 46.3843 -273.003 63.4617 -273.002 -50.9798 -153.637 63.4612 -153.637 -89.6375 GPRESSURE: 2642600 27.0112 -277.132 152.216 -291.33 21.2527 -188.234 -6.07052 -59.8738 -50.373 PRESSAVG: 2642600 58.0242 -53.0565 26.5534 -53.0565 -20.4945 -6.96263 26.5534 -6.96264 -9.48219 GPRESSAVG: 2642600 58.4758 -53.5802 24.7528 -52.6528 -20.6178 -7.81784 26.9416 -7.94855 -10.1775 TIMING: 2642600 CPU: 8425.18, 0.00314736/step Wall: 8425.18, 0.00314736/step, 2.061 hours remaining, 234.394531 MB of memory in use. ENERGY: 2642600 4023.4750 20339.2963 14428.1654 252.2632 -203620.6669 2572.3581 0.0000 0.0000 52044.2599 -109960.8490 299.0991 -162005.1089 -109591.8637 298.8180 -31.4110 -0.7031 760406.0888 9.3492 9.2269 PRESSURE: 2642800 -219.231 -178.02 39.2176 -178.02 -255.681 -440.711 39.2187 -440.712 -222.142 GPRESSURE: 2642800 -283.991 -122.367 -23.208 -221.319 -187.591 -385.896 -33.9668 -344.478 -131.597 PRESSAVG: 2642800 37.3474 -66.5313 0.308911 -66.5313 -11.7348 -24.2495 0.308979 -24.2496 -28.5747 GPRESSAVG: 2642800 36.6652 -65.2651 1.01385 -65.428 -12.5747 -23.4864 -0.64804 -22.8408 -27.2069 TIMING: 2642800 CPU: 8425.81, 0.0031608/step Wall: 8425.81, 0.0031608/step, 2.06962 hours remaining, 234.394531 MB of memory in use. ENERGY: 2642800 4017.8638 20515.7750 14416.2239 233.2082 -203371.7249 2369.5186 0.0000 0.0000 51925.6418 -109893.4937 298.4174 -161819.1355 -109527.5543 298.5335 -232.3513 -201.0598 759259.2712 -0.9874 -1.0388 PRESSURE: 2643000 -5.94208 119.208 62.9429 119.208 189.396 -90.848 62.943 -90.8492 -76.2565 GPRESSURE: 2643000 84.8522 190.752 125.973 -133.123 229.456 -58.34 27.3323 -139.234 -133.959 PRESSAVG: 2643000 -67.5265 -21.2243 4.09152 -21.2243 87.8803 -16.89 4.09154 -16.8899 2.85067 GPRESSAVG: 2643000 -67.0598 -21.5178 2.91576 -23.4875 88.6205 -17.6933 4.2317 -17.4027 1.30179 TIMING: 2643000 CPU: 8426.44, 0.0031382/step Wall: 8426.44, 0.0031382/step, 2.05465 hours remaining, 234.394531 MB of memory in use. ENERGY: 2643000 3997.0280 20499.5186 14454.7704 241.2899 -203284.8471 2260.9034 0.0000 0.0000 51813.9857 -110017.3512 297.7757 -161831.3369 -109664.3310 298.4104 35.7324 60.1161 758691.6025 7.7348 7.6208 PRESSURE: 2643200 -108.372 125.229 -117.903 125.23 133.922 -74.0918 -117.903 -74.0917 -180.869 GPRESSURE: 2643200 -148.228 133.734 -114.238 82.5313 218.359 -49.7935 -116.604 -67.0818 -144.515 PRESSAVG: 2643200 -35.0096 -33.6157 11.7875 -33.6158 60.8018 -48.7775 11.7876 -48.7775 18.4028 GPRESSAVG: 2643200 -35.689 -34.262 12.3871 -33.2576 59.3446 -48.1956 11.5176 -48.0294 20.2038 TIMING: 2643200 CPU: 8427.07, 0.00315019/step Wall: 8427.07, 0.00315019/step, 2.06232 hours remaining, 234.394531 MB of memory in use. ENERGY: 2643200 3918.1839 20416.5017 14499.9674 241.3352 -203572.8006 2505.1729 0.0000 0.0000 52021.8005 -109969.8389 298.9700 -161991.6394 -109609.1476 298.3191 -51.7731 -24.7948 758804.6315 14.7317 14.6198 PRESSURE: 2643400 14.323 15.9781 -85.9264 15.9789 46.9649 -105.52 -85.9262 -105.521 197.278 GPRESSURE: 2643400 97.1372 17.7629 -106.667 62.9599 22.5358 -149.02 -145.291 -19.4415 232.092 PRESSAVG: 2643400 -14.6365 -38.2665 -1.96371 -38.2665 25.4008 33.7751 -1.96367 33.7751 12.1421 GPRESSAVG: 2643400 -13.3704 -35.9246 -1.4897 -37.3312 25.4886 32.8496 0.355574 35.3562 10.192 TIMING: 2643400 CPU: 8427.7, 0.0031437/step Wall: 8427.7, 0.0031437/step, 2.0579 hours remaining, 234.394531 MB of memory in use. ENERGY: 2643400 3901.8583 20402.4222 14427.5975 264.6234 -203502.9075 2402.0407 0.0000 0.0000 51932.9449 -110171.4205 298.4593 -162104.3654 -109810.4608 298.1184 86.1886 117.2549 760494.8311 7.6355 7.4367 PRESSURE: 2643600 381.451 -212.645 147.634 -212.645 138.937 -34.4959 147.635 -34.4961 -28.2774 GPRESSURE: 2643600 381.76 -294.143 83.2295 -189.242 197.534 2.73604 75.9859 6.83459 8.38507 PRESSAVG: 2643600 -36.5078 -34.088 33.8159 -34.0881 -27.7454 28.1554 33.8159 28.1554 -10.7113 GPRESSAVG: 2643600 -37.97 -35.2378 34.5854 -35.0573 -27.3037 29.327 31.3431 26.5182 -9.39656 TIMING: 2643600 CPU: 8428.33, 0.00315047/step Wall: 8428.33, 0.00315047/step, 2.06216 hours remaining, 234.394531 MB of memory in use. ENERGY: 2643600 3949.8889 20435.5042 14409.4571 229.7344 -203333.7874 2459.3313 0.0000 0.0000 51703.5041 -110146.3674 297.1407 -161849.8715 -109788.6427 297.4773 164.0368 195.8932 759012.4680 -24.9882 -24.8901 PRESSURE: 2643800 -17.1097 32.6298 118.621 32.6286 -129.678 -101.616 118.62 -101.615 346.48 GPRESSURE: 2643800 67.0983 95.7158 133.13 -3.68119 -123.677 -118.529 22.6666 72.7638 353.94 PRESSAVG: 2643800 -11.973 15.1563 -5.81601 15.1564 -11.8063 15.2781 -5.81603 15.2781 7.20761 GPRESSAVG: 2643800 -10.7559 14.5455 -6.93867 14.1826 -12.0713 15.4683 -4.63423 15.4691 6.30217 TIMING: 2643800 CPU: 8428.96, 0.00315118/step Wall: 8428.96, 0.00315118/step, 2.06245 hours remaining, 234.394531 MB of memory in use. ENERGY: 2643800 4047.7133 20307.4541 14469.9409 257.0031 -203391.8875 2529.2312 0.0000 0.0000 51696.7697 -110083.7752 297.1020 -161780.5449 -109724.9730 298.1027 66.5638 99.1205 759805.1895 -5.5239 -5.5084 PRESSURE: 2644000 113.391 -11.598 109.877 -11.5973 164.37 -192.358 109.878 -192.358 128.492 GPRESSURE: 2644000 112.362 19.9943 152.439 38.7062 200.088 -203.458 -45.1706 -104.256 171.037 PRESSAVG: 2644000 -48.4209 -40.9665 -12.5627 -40.9665 15.496 33.2705 -12.5626 33.2705 -14.8082 GPRESSAVG: 2644000 -48.5158 -39.5632 -14.0083 -41.2397 15.8765 32.3485 -12.2586 32.5963 -15.0488 TIMING: 2644000 CPU: 8429.59, 0.00315488/step Wall: 8429.59, 0.00315488/step, 2.06469 hours remaining, 234.394531 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: 2644000 3946.1252 20610.6365 14497.2259 239.0082 -203667.6375 2736.9020 0.0000 0.0000 51829.7379 -109808.0019 297.8662 -161637.7398 -109449.5741 298.0719 135.4176 161.1624 758097.9898 -15.9110 -15.8960 PRESSURE: 2644200 100.786 31.1322 -80.914 31.1319 186.031 266.456 -80.9133 266.457 -57.0445 GPRESSURE: 2644200 27.1806 37.9881 -105.215 -60.4931 241.363 168.18 -130.992 194.473 57.2565 PRESSAVG: 2644200 -28.6938 -31.5261 14.4288 -31.5261 17.7509 35.2879 14.4288 35.2878 -2.06101 GPRESSAVG: 2644200 -29.6866 -33.5125 16.4357 -29.7138 17.943 33.7687 14.2348 34.4342 -1.37342 TIMING: 2644200 CPU: 8430.22, 0.00315443/step Wall: 8430.22, 0.00315443/step, 2.06422 hours remaining, 234.394531 MB of memory in use. ENERGY: 2644200 4007.9413 20230.3682 14458.0467 228.9988 -203309.7945 2517.0315 0.0000 0.0000 52010.0893 -109857.3187 298.9027 -161867.4080 -109496.4390 298.3710 76.5908 108.6002 759365.2808 -4.3346 -4.3724 LDB: ============= START OF LOAD BALANCING ============== 8442.64 LDB: ============== END OF LOAD BALANCING =============== 8442.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8442.64 LDB: ============= START OF LOAD BALANCING ============== 8442.96 LDB: Largest compute 7033 load 0.033325 is 17.0% of average load 0.195748 LDB: Average compute 0.004408 is 2.3% of average load 0.195748 LDB: TIME 8442.96 LOAD: AVG 0.195748 MAX 0.216312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.934 MB LDB: TIME 8442.96 LOAD: AVG 0.195748 MAX 0.216312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.141 MB LDB: TIME 8442.96 LOAD: AVG 0.195748 MAX 0.216312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.141 MB LDB: ============== END OF LOAD BALANCING =============== 8442.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8442.97 PRESSURE: 2644400 -308.416 -60.8715 39.4639 -60.8715 125.22 -219.078 39.464 -219.079 -526.921 GPRESSURE: 2644400 -178.679 1.96854 -63.7173 -129.342 44.2079 -254.963 -90.6789 -19.7349 -495.338 PRESSAVG: 2644400 -8.97312 -74.8894 -35.2456 -74.8894 2.56477 11.9473 -35.2456 11.9472 2.55156 GPRESSAVG: 2644400 -9.00846 -73.4618 -34.7379 -74.5882 1.61315 14.9013 -37.0371 12.7643 3.81765 TIMING: 2644400 CPU: 8430.86, 0.0032154/step Wall: 8430.86, 0.0032154/step, 2.10394 hours remaining, 233.359375 MB of memory in use. ENERGY: 2644400 3952.6003 20422.7912 14461.6042 250.7896 -203236.7465 2253.9921 0.0000 0.0000 51969.8801 -109925.0890 298.6716 -161894.9691 -109554.8621 298.2298 -236.7058 -209.9364 759990.9013 -1.2856 -1.1926 PRESSURE: 2644600 -285.284 -17.3697 -23.9934 -17.3691 -349.74 20.5907 -23.9931 20.5905 228.233 GPRESSURE: 2644600 -219.549 51.5034 -54.9256 -67.0035 -244.389 -53.6915 -70.6263 -69.6126 140.962 PRESSAVG: 2644600 -1.26462 -70.1768 -1.68615 -70.1768 -5.9011 8.125 -1.68614 8.12499 -15.4659 GPRESSAVG: 2644600 0.326682 -71.3031 -3.18382 -70.4188 -6.09516 7.68403 0.945788 9.30158 -17.3307 TIMING: 2644600 CPU: 8431.49, 0.00313781/step Wall: 8431.49, 0.00313781/step, 2.053 hours remaining, 233.414062 MB of memory in use. ENERGY: 2644600 3971.9113 20538.7695 14378.7189 244.0953 -203408.0908 2305.6335 0.0000 0.0000 51912.9309 -110056.0315 298.3443 -161968.9624 -109696.9229 298.4325 -135.5969 -107.6586 759406.5816 -7.5439 -7.6997 PRESSURE: 2644800 -281.852 -156.139 -163.047 -156.139 -147.819 62.5443 -163.046 62.5428 156.169 GPRESSURE: 2644800 -292.215 -145.548 -91.9115 -190.835 -41.9087 -16.7342 -179.519 192.486 189.809 PRESSAVG: 2644800 33.3889 -20.5671 -2.67551 -20.5671 -45.8733 -45.4289 -2.67545 -45.4289 2.22448 GPRESSAVG: 2644800 31.3963 -19.5173 -2.27481 -20.8243 -45.2988 -46.0805 -4.99724 -44.4927 3.43789 TIMING: 2644800 CPU: 8432.12, 0.00313709/step Wall: 8432.12, 0.00313709/step, 2.05235 hours remaining, 233.414062 MB of memory in use. ENERGY: 2644800 3982.5076 20396.6871 14423.0258 247.2202 -203657.0105 2502.7112 0.0000 0.0000 52251.9246 -109852.9340 300.2925 -162104.8587 -109487.5266 298.5202 -91.1674 -48.1048 760596.2889 -3.4200 -3.4882 PRESSURE: 2645000 -107.265 -104.629 -184.965 -104.629 -29.6213 15.9093 -184.965 15.9089 -346.394 GPRESSURE: 2645000 -35.9414 -54.5591 -209.734 98.4463 3.10216 29.2796 -159.399 1.32289 -352.953 PRESSAVG: 2645000 9.19504 -80.0298 -13.7969 -80.0298 -6.67195 18.0399 -13.7969 18.0399 -9.33328 GPRESSAVG: 2645000 9.24325 -78.9008 -13.9081 -79.5788 -5.55607 16.7564 -11.4792 16.4518 -9.79829 TIMING: 2645000 CPU: 8432.74, 0.00312845/step Wall: 8432.74, 0.00312845/step, 2.04653 hours remaining, 233.414062 MB of memory in use. ENERGY: 2645000 3955.7736 20449.2454 14442.7584 228.5301 -203495.2254 2508.3002 0.0000 0.0000 52122.1445 -109788.4732 299.5467 -161910.6177 -109429.4434 298.9234 -161.0936 -128.5974 760738.3313 -2.2701 -2.0370 PRESSURE: 2645200 -74.4675 14.9773 -77.8541 14.976 -118.08 118.421 -77.8543 118.421 168.684 GPRESSURE: 2645200 -84.4121 27.1604 -50.0137 -65.2592 -154.477 49.3788 -200.343 152.024 302.19 PRESSAVG: 2645200 -24.6157 -71.054 -4.95565 -71.0541 24.4077 36.9091 -4.95572 36.9091 -17.095 GPRESSAVG: 2645200 -23.5636 -72.0343 -3.1419 -73.3603 22.4348 36.3854 -4.99701 37.5976 -16.4493 TIMING: 2645200 CPU: 8433.37, 0.00313478/step Wall: 8433.37, 0.00313478/step, 2.0505 hours remaining, 233.414062 MB of memory in use. ENERGY: 2645200 3959.0609 20381.4451 14473.5265 234.9124 -203207.0360 2448.0144 0.0000 0.0000 52068.3940 -109641.6827 299.2378 -161710.0767 -109277.3685 299.2223 -7.9545 21.1002 760562.7887 -5.7677 -5.8594 PRESSURE: 2645400 217.044 -115.19 -86.8534 -115.19 -210.387 70.4332 -86.8528 70.4338 293.526 GPRESSURE: 2645400 190.441 -13.9617 45.4649 -120.495 -93.9019 126.684 -146.667 64.619 301.526 PRESSAVG: 2645400 -37.2589 -55.9188 -3.51701 -55.9187 5.66809 13.049 -3.51704 13.0489 17.5694 GPRESSAVG: 2645400 -38.3962 -56.0642 -4.44768 -53.7897 7.87548 15.1903 -5.22093 11.5311 16.502 TIMING: 2645400 CPU: 8434, 0.00314267/step Wall: 8434, 0.00314267/step, 2.05548 hours remaining, 233.414062 MB of memory in use. ENERGY: 2645400 4046.3228 20521.3627 14492.8171 251.8549 -203194.5016 2318.8788 0.0000 0.0000 51964.2260 -109599.0392 298.6391 -161563.2653 -109240.5548 299.0240 100.0609 132.6884 758380.5097 -4.6738 -4.6729 PRESSURE: 2645600 -24.3659 52.0473 21.4964 52.0476 90.6598 53.0771 21.4952 53.0766 -388.697 GPRESSURE: 2645600 -11.3348 55.1101 33.5234 123.334 46.0204 -22.8654 96.7881 184.111 -264.821 PRESSAVG: 2645600 -91.3506 -80.16 -19.4366 -80.16 98.2591 36.8852 -19.4366 36.8852 14.5661 GPRESSAVG: 2645600 -90.9748 -83.5551 -19.2206 -78.1471 96.0075 36.9744 -19.5548 39.3187 16 TIMING: 2645600 CPU: 8434.63, 0.00314317/step Wall: 8434.63, 0.00314317/step, 2.05563 hours remaining, 233.414062 MB of memory in use. ENERGY: 2645600 4044.5399 20575.0160 14502.7683 240.8365 -203324.3070 2417.1064 0.0000 0.0000 52059.0362 -109485.0039 299.1840 -161544.0401 -109128.5172 299.4998 -107.4677 -76.7117 759469.3561 7.1582 7.0109 PRESSURE: 2645800 -154.159 -43.49 207.652 -43.4893 -231.97 -28.5501 207.652 -28.5508 45.2022 GPRESSURE: 2645800 -154.391 -44.6688 207.87 39.1106 -214.947 -6.14065 101.427 -15.5318 117.307 PRESSAVG: 2645800 -35.4647 -61.7887 8.0556 -61.7888 50.0339 3.80421 8.05557 3.80422 -5.99579 GPRESSAVG: 2645800 -34.6113 -56.7676 7.86237 -64.8438 50.8514 3.63692 6.34945 3.20412 -7.02772 TIMING: 2645800 CPU: 8435.26, 0.00314732/step Wall: 8435.26, 0.00314732/step, 2.05817 hours remaining, 233.429688 MB of memory in use. ENERGY: 2645800 3929.0745 20514.5189 14441.3587 238.5044 -203212.5977 2338.2671 0.0000 0.0000 52152.3090 -109598.5650 299.7200 -161750.8741 -109240.7318 299.2401 -113.6424 -84.0100 758661.5476 2.8578 3.0708 PRESSURE: 2646000 -134.32 -9.05312 -29.665 -9.05326 -0.0924118 -113.439 -29.6653 -113.439 -336.081 GPRESSURE: 2646000 -140.534 -94.1612 -21.9846 74.7727 121.255 -67.088 -34.451 -141.289 -348.615 PRESSAVG: 2646000 -54.9348 -39.9704 2.78021 -39.9704 32.4258 -20.8651 2.78026 -20.8651 -4.68014 GPRESSAVG: 2646000 -54.6833 -41.9279 3.1745 -38.1784 31.9151 -21.8187 3.42475 -22.3119 -5.0414 TIMING: 2646000 CPU: 8435.89, 0.00315042/step Wall: 8435.89, 0.00315042/step, 2.06003 hours remaining, 233.628906 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: 2646000 3984.1570 20340.6886 14474.1873 260.5054 -203064.1757 2402.4539 0.0000 0.0000 52030.6634 -109571.5201 299.0209 -161602.1836 -109204.3691 299.7125 -156.8314 -122.6316 759662.2438 -9.0630 -9.2699 PRESSURE: 2646200 -10.1685 -354.051 121.071 -354.051 -515.074 -181.983 121.072 -181.983 -769.192 GPRESSURE: 2646200 -15.6074 -289.61 87.0508 -399.506 -359.793 -256.25 220.913 -224.902 -837.306 PRESSAVG: 2646200 1.1488 -74.5596 -5.87085 -74.5596 -12.7538 -27.7063 -5.87094 -27.7064 -1.86008 GPRESSAVG: 2646200 0.454379 -72.847 -7.07468 -76.5882 -10.9908 -28.0567 -3.62451 -26.911 -3.2413 TIMING: 2646200 CPU: 8436.51, 0.0031337/step Wall: 8436.51, 0.0031337/step, 2.04891 hours remaining, 233.628906 MB of memory in use. ENERGY: 2646200 4008.7546 20455.0148 14434.1238 255.5621 -203012.3098 2317.1188 0.0000 0.0000 52004.0441 -109537.6917 298.8680 -161541.7357 -109170.2392 299.4686 -431.4779 -404.2354 760990.9615 -4.4884 -4.5926 PRESSURE: 2646400 347.664 -103.443 110.344 -103.443 295.482 32.8635 110.345 32.8631 165.391 GPRESSURE: 2646400 454.02 -113.969 99.1827 -74.6757 337.836 77.9498 30.0795 41.3115 96.9263 PRESSAVG: 2646400 10.9841 -17.9246 -9.16722 -17.9246 -16.316 -42.5438 -9.16727 -42.5438 19.6544 GPRESSAVG: 2646400 11.2435 -19.6777 -9.20101 -17.1146 -18.6575 -40.1181 -10.1882 -42.3242 21.4153 TIMING: 2646400 CPU: 8437.14, 0.0031523/step Wall: 8437.14, 0.0031523/step, 2.0609 hours remaining, 233.628906 MB of memory in use. ENERGY: 2646400 3874.0083 20393.1835 14529.4634 239.0702 -203595.9825 2711.7632 0.0000 0.0000 52332.7220 -109515.7718 300.7569 -161848.4939 -109140.5436 299.4424 269.5122 296.2606 760305.2165 4.7742 4.6671 PRESSURE: 2646600 -393.164 -194.896 -107.345 -194.896 -78.6493 75.9125 -107.344 75.9126 -359.686 GPRESSURE: 2646600 -357.662 -228.634 -217.802 -199.761 -100.671 186.78 -17.2 79.5154 -303.941 PRESSAVG: 2646600 -47.1343 -25.9065 -28.1839 -25.9066 27.9398 -8.93315 -28.1839 -8.93312 1.51217 GPRESSAVG: 2646600 -47.5335 -26.4677 -28.772 -25.5494 29.1464 -9.85487 -28.0197 -9.31162 0.163962 TIMING: 2646600 CPU: 8437.78, 0.00315918/step Wall: 8437.78, 0.00315918/step, 2.06523 hours remaining, 233.628906 MB of memory in use. ENERGY: 2646600 3992.6735 20632.7389 14460.0488 236.9446 -203405.1267 2529.7055 0.0000 0.0000 52052.4918 -109500.5238 299.1464 -161553.0156 -109137.6774 299.0315 -277.1665 -254.0915 760590.0442 -5.8941 -6.0744 PRESSURE: 2646800 136.144 -259.609 54.2055 -259.608 7.9244 -243.95 54.2051 -243.95 5.05588 GPRESSURE: 2646800 140.536 -182.92 -0.976583 -336.447 73.259 -225.386 54.5735 -215.084 21.9119 PRESSAVG: 2646800 -36.8234 -67.411 -26.0028 -67.4109 25.5162 -49.1861 -26.0028 -49.186 13.2886 GPRESSAVG: 2646800 -36.0141 -65.2075 -25.2193 -67.4485 25.0298 -48.376 -25.2702 -49.4031 13.3531 TIMING: 2646800 CPU: 8438.4, 0.00313867/step Wall: 8438.4, 0.00313867/step, 2.05165 hours remaining, 233.628906 MB of memory in use. ENERGY: 2646800 4050.3297 20412.5861 14447.8249 243.0200 -203497.1457 2566.3413 0.0000 0.0000 51947.2371 -109829.8065 298.5415 -161777.0436 -109464.0126 298.7137 49.7081 78.5689 759624.1360 0.6605 0.7896 PRESSURE: 2647000 355.631 245.87 145.851 245.872 441.766 142.341 145.851 142.341 53.3293 GPRESSURE: 2647000 345.128 215.54 196.405 208.687 624.183 132.236 62.3556 86.0384 -20.0029 PRESSAVG: 2647000 -34.6821 -12.9414 -27.2974 -12.9414 52.4715 -45.9811 -27.2974 -45.9811 -4.37148 GPRESSAVG: 2647000 -35.391 -15.123 -27.5914 -13.5995 53.0535 -46.1447 -27.8145 -46.567 -3.79048 TIMING: 2647000 CPU: 8439.03, 0.00313221/step Wall: 8439.03, 0.00313221/step, 2.04725 hours remaining, 233.628906 MB of memory in use. ENERGY: 2647000 3979.0412 20403.6007 14458.5939 250.7549 -203767.8870 3034.6297 0.0000 0.0000 51965.3292 -109675.9374 298.6455 -161641.2666 -109313.1423 298.5406 283.5753 316.4361 758237.9599 4.4726 4.6240 PRESSURE: 2647200 -224.13 333.79 -18.3463 333.79 -110.335 -22.567 -18.346 -22.5652 273.773 GPRESSURE: 2647200 -161.623 254.807 -21.4923 260.362 -98.317 -90.5879 7.68493 75.2173 282.394 PRESSAVG: 2647200 18.571 -50.2302 -17.8356 -50.2302 -28.1007 -11.1182 -17.8356 -11.118 4.90602 GPRESSAVG: 2647200 18.4314 -49.7016 -16.687 -50.3537 -27.8968 -11.4887 -18.2509 -10.8183 4.71478 TIMING: 2647200 CPU: 8439.66, 0.00313177/step Wall: 8439.66, 0.00313177/step, 2.04679 hours remaining, 233.628906 MB of memory in use. ENERGY: 2647200 3999.6677 20505.1003 14524.4310 224.8571 -203513.5047 2492.3096 0.0000 0.0000 52168.8378 -109598.3012 299.8150 -161767.1390 -109232.4547 298.8831 -20.2303 7.4846 761538.2743 -1.5412 -1.5835 PRESSURE: 2647400 26.0369 -69.7005 -37.0441 -69.7007 214.478 162.393 -37.0433 162.394 212.494 GPRESSURE: 2647400 100.065 -73.1348 -7.623 -40.3792 196.626 175.17 -84.0123 47.7052 243.736 PRESSAVG: 2647400 13.1327 -43.8973 -59.2584 -43.8973 -34.9752 -23.3332 -59.2583 -23.3332 5.90296 GPRESSAVG: 2647400 12.7105 -41.3059 -60.6727 -46.0035 -35.4251 -22.6028 -59.4181 -25.7092 6.29191 TIMING: 2647400 CPU: 8440.29, 0.00314335/step Wall: 8440.29, 0.00314335/step, 2.05418 hours remaining, 233.628906 MB of memory in use. ENERGY: 2647400 3942.9641 20443.9074 14489.8405 235.5494 -202893.1436 2473.3603 0.0000 0.0000 51910.3533 -109397.1685 298.3295 -161307.5219 -109036.8750 298.8379 151.0031 180.1424 760755.7980 -5.3132 -5.4742 PRESSURE: 2647600 -195.993 -161.496 -128.303 -161.496 193.423 -57.8237 -128.303 -57.8241 -1.33451 GPRESSURE: 2647600 -193.681 -179.431 -151.364 -136.439 173.677 -106.89 -95.4298 -102.172 101.602 PRESSAVG: 2647600 27.0617 -127.813 -28.7408 -127.813 -8.02277 -10.9108 -28.7407 -10.9108 -6.79565 GPRESSAVG: 2647600 26.5916 -130.287 -26.2762 -126.615 -8.33876 -12.0393 -26.9486 -8.49802 -5.73266 TIMING: 2647600 CPU: 8440.91, 0.00312891/step Wall: 8440.91, 0.00312891/step, 2.04457 hours remaining, 233.628906 MB of memory in use. ENERGY: 2647600 3938.2021 20383.8879 14489.2198 233.8073 -203057.7991 2510.3868 0.0000 0.0000 51987.7273 -109514.5680 298.7742 -161502.2952 -109150.8918 298.9660 -1.3016 27.1993 761827.6322 4.0811 4.1734 PRESSURE: 2647800 -84.7165 -286.726 280.634 -286.726 255.721 -193.644 280.635 -193.644 436.262 GPRESSURE: 2647800 -27.888 -180.299 219.035 -260.556 196.843 -85.563 325.615 -132.924 538.8 PRESSAVG: 2647800 31.7879 -98.3589 15.0233 -98.3589 -0.52852 -0.0631551 15.0233 -0.0631659 -4.90002 GPRESSAVG: 2647800 33.0115 -99.2251 13.1903 -98.3797 -0.96362 -0.694783 15.8644 0.681969 -5.94136 TIMING: 2647800 CPU: 8441.53, 0.00311397/step Wall: 8441.53, 0.00311397/step, 2.03463 hours remaining, 233.628906 MB of memory in use. ENERGY: 2647800 4064.6111 20477.9719 14491.3865 228.8981 -203320.2645 2490.1412 0.0000 0.0000 52105.0242 -109462.2314 299.4483 -161567.2556 -109103.6272 298.8681 202.4222 235.9186 761036.6344 8.7864 8.7022 PRESSURE: 2648000 -105.744 50.8786 38.8446 50.8791 -38.3283 110.027 38.8441 110.028 384.749 GPRESSURE: 2648000 -29.2515 41.9947 125.672 94.3767 2.55442 155.83 -51.9807 91.9649 332.345 PRESSAVG: 2648000 -4.21894 -72.5913 12.9713 -72.5913 -27.2373 31.7059 12.9714 31.7059 -0.396731 GPRESSAVG: 2648000 -4.88843 -69.1572 12.9651 -73.171 -25.6337 32.0518 9.80322 29.9621 -1.05274 TIMING: 2648000 CPU: 8442.16, 0.0031163/step Wall: 8442.16, 0.0031163/step, 2.03598 hours remaining, 233.628906 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: 2648000 3986.2532 20481.2977 14539.9672 238.0252 -203326.8866 2590.2323 0.0000 0.0000 52112.9552 -109378.1558 299.4939 -161491.1109 -109015.9438 299.3748 80.2255 101.8825 761205.8712 -10.6176 -10.5250 PRESSURE: 2648200 141.265 -154.098 -74.5042 -154.097 -225.136 145.993 -74.5048 145.993 -150.73 GPRESSURE: 2648200 158.584 -203.873 -54.6157 -131.498 -182.874 195.604 6.32491 131.855 -101.113 PRESSAVG: 2648200 65.5917 -82.9144 -31.7865 -82.9143 -30.5679 14.385 -31.7866 14.385 -0.767187 GPRESSAVG: 2648200 65.7975 -84.518 -30.929 -80.2676 -30.9095 15.3033 -31.937 14.2107 -0.553422 TIMING: 2648200 CPU: 8442.78, 0.00311618/step Wall: 8442.78, 0.00311618/step, 2.03573 hours remaining, 233.628906 MB of memory in use. ENERGY: 2648200 3978.0179 20487.2788 14503.7816 240.5497 -203354.5492 2538.0844 0.0000 0.0000 52115.1016 -109491.7352 299.5062 -161606.8368 -109139.1147 299.5412 -78.2005 -41.8011 761937.3988 11.4189 11.4449 LDB: ============= START OF LOAD BALANCING ============== 8455.2 LDB: ============== END OF LOAD BALANCING =============== 8455.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8455.2 LDB: ============= START OF LOAD BALANCING ============== 8455.51 LDB: Largest compute 7033 load 0.033732 is 17.3% of average load 0.195471 LDB: Average compute 0.004392 is 2.2% of average load 0.195471 LDB: TIME 8455.52 LOAD: AVG 0.195471 MAX 0.217076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234 MB LDB: TIME 8455.52 LOAD: AVG 0.195471 MAX 0.217076 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: TIME 8455.52 LOAD: AVG 0.195471 MAX 0.217076 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: ============== END OF LOAD BALANCING =============== 8455.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8455.52 PRESSURE: 2648400 575.919 -193.596 66.2013 -193.595 -103.799 -26.8416 66.2 -26.8414 233.051 GPRESSURE: 2648400 612.377 -132.401 150.731 -234.989 -69.0608 3.20511 99.2139 -101.96 262.744 PRESSAVG: 2648400 7.71998 -49.8337 -43.1368 -49.8338 -48.705 20.0643 -43.1368 20.0642 19.2129 GPRESSAVG: 2648400 8.08588 -49.3461 -43.1367 -51.9592 -49.6458 20.3934 -41.8203 19.2295 19.5138 TIMING: 2648400 CPU: 8443.42, 0.00319028/step Wall: 8443.42, 0.00319028/step, 2.08396 hours remaining, 235.671875 MB of memory in use. ENERGY: 2648400 4035.7961 20479.6300 14509.8605 253.5370 -203311.1224 2721.8704 0.0000 0.0000 51829.6106 -109480.8179 297.8655 -161310.4285 -109125.5177 299.3412 235.0570 268.6869 761808.3567 -7.2574 -7.3487 PRESSURE: 2648600 -20.2073 -17.4576 -89.3987 -17.4587 28.3301 93.0072 -89.3989 93.0065 -280.496 GPRESSURE: 2648600 17.9378 -15.8735 -164.723 -99.0537 18.3573 1.50812 -125.852 54.2195 -211.925 PRESSAVG: 2648600 79.2464 -14.9219 -97.1642 -14.922 -26.1405 6.04128 -97.1641 6.04131 -5.86962 GPRESSAVG: 2648600 78.6491 -14.5058 -96.596 -15.5104 -25.1872 5.27434 -99.8931 7.15153 -5.65214 TIMING: 2648600 CPU: 8444.04, 0.00312994/step Wall: 8444.04, 0.00312994/step, 2.04437 hours remaining, 235.875000 MB of memory in use. ENERGY: 2648600 4010.8784 20513.8068 14535.9764 263.6186 -203253.7423 2402.1020 0.0000 0.0000 52218.8233 -109308.5368 300.1023 -161527.3601 -108958.8789 299.7785 -90.7909 -58.5434 761223.6248 15.7454 15.9366 PRESSURE: 2648800 52.8425 -67.1327 -67.8008 -67.1328 -65.3278 -204.265 -67.8015 -204.265 -187.855 GPRESSURE: 2648800 87.6103 54.7177 -57.7842 -26.4735 -37.9714 -159.784 104.289 -89.9665 -170.021 PRESSAVG: 2648800 45.9617 -15.1299 -74.6757 -15.1299 -54.4662 -19.2633 -74.6756 -19.2634 -2.96581 GPRESSAVG: 2648800 47.1077 -18.3575 -76.2628 -12.5747 -54.7524 -18.9111 -70.9952 -19.9495 -3.25435 TIMING: 2648800 CPU: 8444.67, 0.00314188/step Wall: 8444.67, 0.00314188/step, 2.052 hours remaining, 236.175781 MB of memory in use. ENERGY: 2648800 3947.0782 20533.7161 14443.1911 243.5809 -202637.3200 2324.1310 0.0000 0.0000 52121.2770 -109024.3456 299.5417 -161145.6226 -108664.3967 300.2694 -66.7800 -40.1273 761294.1136 -3.8234 -3.6330 PRESSURE: 2649000 -412.866 -133.408 -77.4519 -133.408 -205.315 129.445 -77.4524 129.445 -386.011 GPRESSURE: 2649000 -373.624 -69.2419 -149.807 -77.3858 -194.854 -19.214 -30.1945 189.307 -366.372 PRESSAVG: 2649000 26.4157 -21.7142 -28.2968 -21.7142 -78.4389 100.431 -28.2967 100.431 -0.919077 GPRESSAVG: 2649000 24.832 -20.1371 -28.1237 -22.1536 -77.0458 100.392 -30.2152 102.899 -0.508053 TIMING: 2649000 CPU: 8445.3, 0.00313067/step Wall: 8445.3, 0.00313067/step, 2.0445 hours remaining, 236.175781 MB of memory in use. ENERGY: 2649000 3941.5414 20602.8106 14470.4935 250.3751 -202752.2069 2038.9082 0.0000 0.0000 52231.2440 -109216.8341 300.1737 -161448.0782 -108850.2277 300.1874 -334.7303 -311.6169 760989.0790 -17.6474 -17.5739 PRESSURE: 2649200 55.5596 112.902 -31.2631 112.902 55.839 -37.0357 -31.2632 -37.0367 335.751 GPRESSURE: 2649200 154.029 218.215 4.58339 49.5961 44.8797 -24.9943 27.2827 3.47696 304.831 PRESSAVG: 2649200 49.3679 27.0161 -11.9732 27.0161 -34.3163 89.9698 -11.9733 89.9699 15.4821 GPRESSAVG: 2649200 50.7042 28.7948 -11.8706 26.0905 -34.4249 90.4488 -10.0925 87.3564 15.3557 TIMING: 2649200 CPU: 8445.93, 0.00314168/step Wall: 8445.93, 0.00314168/step, 2.05152 hours remaining, 236.175781 MB of memory in use. ENERGY: 2649200 3902.8574 20707.5042 14469.3658 243.4524 -203370.4334 2541.3709 0.0000 0.0000 52171.4406 -109334.4420 299.8300 -161505.8827 -108985.3440 299.6170 149.0498 167.9133 760552.3337 10.1779 10.5450 PRESSURE: 2649400 -176.602 -196.736 101.487 -196.735 85.4272 3.95869 101.487 3.9592 245.53 GPRESSURE: 2649400 -165.75 -107.262 135.442 -25.7033 124.335 72.5657 157.445 -86.3551 269.797 PRESSAVG: 2649400 36.5024 -61.8333 4.82256 -61.8333 -34.5987 18.9015 4.82254 18.9015 11.9394 GPRESSAVG: 2649400 35.4071 -62.7067 4.96887 -60.5087 -34.3469 19.4657 4.8585 18.1827 12.4847 TIMING: 2649400 CPU: 8446.55, 0.00313452/step Wall: 8446.55, 0.00313452/step, 2.04667 hours remaining, 236.175781 MB of memory in use. ENERGY: 2649400 3962.0028 20634.8110 14573.3488 240.5959 -203062.8511 2133.1285 0.0000 0.0000 52045.0384 -109473.9257 299.1036 -161518.9641 -109123.3574 299.7279 51.4520 76.1272 758806.1235 4.6144 4.5150 PRESSURE: 2649600 88.7053 -26.2118 -3.08477 -26.2119 -37.4013 -10.8074 -3.08355 -10.8078 -75.0328 GPRESSURE: 2649600 76.8933 -98.7237 -49.9544 8.75403 -16.3716 -76.3459 -17.1213 75.4954 23.5539 PRESSAVG: 2649600 -9.74031 -48.2419 45.4724 -48.2419 -13.3367 40.2134 45.4724 40.2134 -3.03636 GPRESSAVG: 2649600 -9.3512 -49.3873 45.9628 -48.489 -14.2944 39.0166 44.403 43.0463 -2.54966 TIMING: 2649600 CPU: 8447.18, 0.00312687/step Wall: 8447.18, 0.00312687/step, 2.0415 hours remaining, 236.175781 MB of memory in use. ENERGY: 2649600 3934.1350 20318.1514 14503.2194 258.8741 -203299.6417 2583.5348 0.0000 0.0000 52512.9069 -109188.8199 301.7924 -161701.7268 -108813.6119 299.4719 -7.9096 28.0252 760906.0756 -8.7045 -8.7318 PRESSURE: 2649800 -275.628 -83.8314 -45.8536 -83.8317 99.9043 -91.9111 -45.854 -91.9114 -259.342 GPRESSURE: 2649800 -186.552 -79.2895 -3.86632 -70.136 105.269 -101.642 -90.5999 82.7777 -269.492 PRESSAVG: 2649800 -26.1844 -10.9873 25.9847 -10.9873 15.939 -4.62555 25.9847 -4.6255 19.8943 GPRESSAVG: 2649800 -25.2032 -9.09817 25.9834 -11.8085 15.6408 -6.55585 25.2976 -4.20177 19.2606 TIMING: 2649800 CPU: 8447.81, 0.00313267/step Wall: 8447.81, 0.00313267/step, 2.04511 hours remaining, 236.175781 MB of memory in use. ENERGY: 2649800 4074.1402 20573.5557 14436.3515 251.9087 -203376.2453 2491.1283 0.0000 0.0000 52378.8032 -109170.3577 301.0217 -161549.1609 -108806.1556 300.1769 -145.0220 -116.9250 760008.3619 3.2163 3.2327 PRESSURE: 2650000 8.75169 -15.8307 -162.216 -15.8301 -26.4228 204.626 -162.215 204.626 -50.6077 GPRESSURE: 2650000 69.0264 14.3411 -168.074 -24.4688 52.9982 175.476 -77.9879 180.931 -105.669 PRESSAVG: 2650000 20.3021 -65.427 -16.2123 -65.4269 -29.6159 35.5622 -16.2123 35.5621 -3.18162 GPRESSAVG: 2650000 19.7373 -65.5882 -16.7103 -65.1663 -29.607 38.3184 -14.0836 34.6314 -2.56432 TIMING: 2650000 CPU: 8448.44, 0.00315405/step Wall: 8448.44, 0.00315405/step, 2.0589 hours remaining, 236.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2650000 3871.4738 20690.9341 14498.4369 246.4837 -203462.9592 2748.0215 0.0000 0.0000 52250.0627 -109157.5466 300.2818 -161407.6093 -108788.4861 299.9101 -22.7596 5.4519 761864.3974 -4.1651 -4.1447 PRESSURE: 2650200 57.6388 -112.051 -44.1396 -112.052 -135.217 225.201 -44.1396 225.2 37.168 GPRESSURE: 2650200 -6.04061 -71.3372 -37.5803 -132.905 -36.621 220.49 -138.478 249.441 82.1769 PRESSAVG: 2650200 -28.9629 -53.2567 -4.12796 -53.2567 14.8358 28.3644 -4.12798 28.3644 -9.06878 GPRESSAVG: 2650200 -28.6985 -55.7064 -4.8655 -54.204 14.3654 26.6708 -5.84891 27.6993 -9.49522 TIMING: 2650200 CPU: 8449.06, 0.00311357/step Wall: 8449.06, 0.00311357/step, 2.0323 hours remaining, 236.175781 MB of memory in use. ENERGY: 2650200 4050.7695 20579.9588 14486.5964 244.4324 -203197.7467 2430.2669 0.0000 0.0000 52338.7577 -109066.9650 300.7916 -161405.7227 -108705.9424 300.5034 -13.4701 13.1718 760208.8012 -7.7319 -7.9428 PRESSURE: 2650400 115.308 184.373 -260.415 184.373 -134.011 137.136 -260.415 137.135 12.2517 GPRESSURE: 2650400 121.621 287.488 -318.105 171.952 -141.764 205.916 -360.875 98.9841 83.0306 PRESSAVG: 2650400 68.5764 -97.4188 -31.2444 -97.4188 -40.4605 36.0797 -31.2444 36.0797 14.5482 GPRESSAVG: 2650400 68.3155 -96.0594 -31.8043 -98.0685 -39.4424 37.7443 -30.1865 36.2471 13.9089 TIMING: 2650400 CPU: 8449.69, 0.00314545/step Wall: 8449.69, 0.00314545/step, 2.05293 hours remaining, 236.175781 MB of memory in use. ENERGY: 2650400 4133.6539 20520.6707 14514.9945 241.5143 -203518.1054 2629.4280 0.0000 0.0000 52314.3393 -109163.5047 300.6512 -161477.8440 -108797.7791 300.2888 -2.1505 20.9626 760777.5036 14.2214 14.2606 PRESSURE: 2650600 -55.261 -101.548 27.2582 -101.548 -214.631 3.32011 27.2589 3.32024 -166.598 GPRESSURE: 2650600 37.7385 -128.803 -29.6504 -17.4324 -222.311 106.807 123.483 -30.8859 -166.241 PRESSAVG: 2650600 34.1949 16.2305 -14.3275 16.2305 -24.4962 33.0948 -14.3275 33.0948 21.1853 GPRESSAVG: 2650600 33.0638 17.4886 -13.8302 17.3951 -23.9722 32.3891 -12.3456 32.5677 21.3355 TIMING: 2650600 CPU: 8450.32, 0.00314598/step Wall: 8450.32, 0.00314598/step, 2.0531 hours remaining, 236.175781 MB of memory in use. ENERGY: 2650600 3938.9914 20543.3945 14416.4239 250.7097 -203252.1897 2305.8825 0.0000 0.0000 52418.6634 -109378.1244 301.2508 -161796.7878 -109012.2459 300.0676 -145.4967 -116.9381 761703.6801 10.2947 10.1424 PRESSURE: 2650800 112.953 -55.811 171.563 -55.81 -285.143 -82.1109 171.563 -82.1108 61.5034 GPRESSURE: 2650800 132.014 -112.039 174.919 -37.8871 -223.54 -60.5203 29.89 -43.5622 59.4159 PRESSAVG: 2650800 -0.619228 -13.9539 -17.6626 -13.9539 -8.75048 0.343486 -17.6627 0.343477 -5.28729 GPRESSAVG: 2650800 0.296607 -13.5447 -15.6573 -14.8097 -9.35901 0.0309127 -19.8836 -0.769065 -5.26817 TIMING: 2650800 CPU: 8450.95, 0.00315999/step Wall: 8450.95, 0.00315999/step, 2.06207 hours remaining, 236.175781 MB of memory in use. ENERGY: 2650800 4101.4843 20864.0864 14454.8010 259.6351 -203135.1382 2267.2030 0.0000 0.0000 51927.3279 -109260.6004 298.4271 -161187.9283 -108905.7204 299.8302 -36.8957 -10.7030 761327.9682 -4.8857 -4.7769 PRESSURE: 2651000 278.411 -165.172 3.4393 -165.171 11.078 53.0658 3.44 53.065 -55.5935 GPRESSURE: 2651000 254.667 -130.075 36.9736 -236.009 121.008 -25.0636 -52.0733 37.7194 -58.4723 PRESSAVG: 2651000 -27.1408 -6.1666 -49.3189 -6.16662 49.8682 14.9565 -49.3189 14.9565 12.8688 GPRESSAVG: 2651000 -27.5441 -6.22613 -51.256 -5.3801 49.9389 14.6995 -49.8897 14.0035 13.6377 TIMING: 2651000 CPU: 8451.58, 0.00313624/step Wall: 8451.58, 0.00313624/step, 2.0464 hours remaining, 236.175781 MB of memory in use. ENERGY: 2651000 3978.4613 20586.4788 14507.9832 250.0563 -203445.6417 2659.2645 0.0000 0.0000 52072.5177 -109390.8798 299.2615 -161463.3975 -109017.3399 300.0240 77.9651 105.7345 759999.6240 11.8654 12.0108 PRESSURE: 2651200 34.3299 -21.2509 -49.4003 -21.2508 124.529 20.5148 -49.4002 20.5143 230.182 GPRESSURE: 2651200 -29.8459 -57.068 -59.0806 -68.6142 189.387 92.0971 48.3125 63.4355 326.116 PRESSAVG: 2651200 -6.94242 -24.4918 4.5604 -24.4918 20.5952 5.64843 4.56041 5.64846 -0.599703 GPRESSAVG: 2651200 -8.28043 -23.8044 4.65751 -25.4567 21.2821 5.15717 6.26864 9.04473 0.183893 TIMING: 2651200 CPU: 8452.21, 0.00314369/step Wall: 8452.21, 0.00314369/step, 2.05109 hours remaining, 236.175781 MB of memory in use. ENERGY: 2651200 4039.0044 20436.7946 14484.9672 241.9036 -203321.4928 2587.7920 0.0000 0.0000 51900.5910 -109630.4400 298.2734 -161531.0310 -109279.1029 299.3714 129.6804 161.8854 759650.9560 4.3510 4.3952 PRESSURE: 2651400 -200.46 -114.378 -221.883 -114.378 198.011 -207.297 -221.883 -207.297 -76.3109 GPRESSURE: 2651400 -202.193 -6.28215 -222.801 -188.103 129.363 -202.312 -352.315 -99.4906 74.1848 PRESSAVG: 2651400 -7.79312 -36.402 -35.8602 -36.402 -57.7133 16.0919 -35.8601 16.0919 38.062 GPRESSAVG: 2651400 -6.33985 -37.9548 -34.6706 -35.791 -59.0988 18.7196 -38.0903 12.6284 37.7754 TIMING: 2651400 CPU: 8452.84, 0.00316477/step Wall: 8452.84, 0.00316477/step, 2.06466 hours remaining, 236.175781 MB of memory in use. ENERGY: 2651400 3953.4962 20633.5853 14571.8532 229.3340 -202979.7721 1871.0974 0.0000 0.0000 51939.6507 -109780.7554 298.4979 -161720.4061 -109419.1843 299.0908 -26.2532 0.4515 760632.2170 -9.1481 -9.2211 PRESSURE: 2651600 -56.881 71.1828 60.1994 71.1835 63.9181 35.1667 60.1995 35.169 -180.798 GPRESSURE: 2651600 -17.88 -26.1975 -49.7298 98.389 77.4362 16.6401 172.563 112.823 -157.998 PRESSAVG: 2651600 53.6053 -52.3005 7.74519 -52.3006 -14.7518 -1.7537 7.74527 -1.75365 -25.762 GPRESSAVG: 2651600 53.1461 -52.7565 5.93015 -51.9372 -13.2582 -2.8772 10.6144 0.625547 -26.7841 TIMING: 2651600 CPU: 8453.47, 0.00315033/step Wall: 8453.47, 0.00315033/step, 2.05506 hours remaining, 236.175781 MB of memory in use. ENERGY: 2651600 4002.4919 20600.7773 14467.6016 243.7185 -203641.9696 2630.8807 0.0000 0.0000 51933.3421 -109763.1576 298.4616 -161696.4996 -109396.2035 299.1358 -57.9202 -32.8140 761000.4023 4.3638 4.3680 PRESSURE: 2651800 157.488 -136.854 306.645 -136.854 -127.052 356.66 306.645 356.66 -29.3106 GPRESSURE: 2651800 239.26 -168.851 248.951 -207.907 -125.767 399.303 140.097 273.768 -26.3023 PRESSAVG: 2651800 98.9802 -43.0472 -0.39225 -43.0471 -60.377 22.1248 -0.392227 22.1247 -12.1994 GPRESSAVG: 2651800 100.313 -43.8735 0.812954 -42.8306 -62.5347 21.3308 -3.2895 22.2407 -11.3594 TIMING: 2651800 CPU: 8454.1, 0.00313221/step Wall: 8454.1, 0.00313221/step, 2.04307 hours remaining, 236.175781 MB of memory in use. ENERGY: 2651800 3924.5539 20457.7399 14463.0791 248.3273 -203540.6656 2582.4278 0.0000 0.0000 52089.5125 -109775.0251 299.3591 -161864.5376 -109408.3766 299.0784 0.3749 29.0638 760619.7325 8.8012 8.8063 PRESSURE: 2652000 -147.073 -0.664421 62.8835 -0.664466 243.171 -117.996 62.8837 -117.996 178.888 GPRESSURE: 2652000 -112.479 -29.8776 130.822 -10.7698 252.589 -186.882 27.3001 -127.073 234.702 PRESSAVG: 2652000 23.4881 30.1586 76.9552 30.1586 -44.5734 73.2787 76.9552 73.2788 0.0811246 GPRESSAVG: 2652000 22.0492 31.0887 77.685 31.1226 -43.1235 74.2712 76.628 73.062 -0.190093 TIMING: 2652000 CPU: 8454.72, 0.0031316/step Wall: 8454.72, 0.0031316/step, 2.0425 hours remaining, 236.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2652000 3918.7738 20511.0783 14532.0828 255.7570 -203500.5599 2504.1626 0.0000 0.0000 51777.3286 -110001.3767 297.5650 -161778.7053 -109643.1026 298.7940 91.6622 124.9375 759634.8579 -7.0014 -7.0881 PRESSURE: 2652200 405.132 68.5404 156.68 68.5405 279.994 82.26 156.681 82.2593 271.802 GPRESSURE: 2652200 489.165 94.8709 159.919 28.1887 234.984 101.625 222.168 77.9518 308.515 PRESSAVG: 2652200 26.8285 -34.5355 16.5397 -34.5355 -14.8517 11.5611 16.5397 11.5611 -13.4312 GPRESSAVG: 2652200 27.5902 -35.2011 16.9391 -35.7331 -14.7597 11.5757 16.7754 9.97765 -14.1905 TIMING: 2652200 CPU: 8455.35, 0.00314393/step Wall: 8455.35, 0.00314394/step, 2.05037 hours remaining, 236.175781 MB of memory in use. ENERGY: 2652200 3918.2563 20562.5413 14548.2176 254.1530 -204321.8290 2888.1932 0.0000 0.0000 52075.5599 -110074.9077 299.2790 -162150.4676 -109724.8422 298.7395 318.9760 344.2213 758025.3343 -0.4848 -0.4534 LDB: ============= START OF LOAD BALANCING ============== 8467.77 LDB: ============== END OF LOAD BALANCING =============== 8467.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8467.77 LDB: ============= START OF LOAD BALANCING ============== 8468.09 LDB: Largest compute 7031 load 0.033048 is 16.9% of average load 0.195553 LDB: Average compute 0.004382 is 2.2% of average load 0.195553 LDB: TIME 8468.09 LOAD: AVG 0.195553 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.484 MB LDB: TIME 8468.09 LOAD: AVG 0.195553 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.688 MB LDB: TIME 8468.09 LOAD: AVG 0.195553 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.688 MB LDB: ============== END OF LOAD BALANCING =============== 8468.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8468.1 PRESSURE: 2652400 457.225 -40.8829 -48.2052 -40.8817 309.769 69.6545 -48.2053 69.6555 -63.9236 GPRESSURE: 2652400 552.056 28.9873 -99.0289 -157.041 242.053 170.87 -20.2833 94.3146 5.71433 PRESSAVG: 2652400 2.52293 19.0455 36.5936 19.0455 17.4755 2.63057 36.5936 2.63067 12.3272 GPRESSAVG: 2652400 2.71703 23.4115 36.8512 18.2995 16.1014 2.56923 37.5124 2.80448 12.9704 TIMING: 2652400 CPU: 8455.99, 0.00321255/step Wall: 8455.99, 0.00321255/step, 2.09494 hours remaining, 232.652344 MB of memory in use. ENERGY: 2652400 3937.9029 20503.2127 14441.0349 251.0057 -203708.9106 2686.3783 0.0000 0.0000 51986.6474 -109902.7287 298.7680 -161889.3761 -109536.0053 299.0298 234.3570 266.6076 760112.5564 10.7752 10.5963 PRESSURE: 2652600 95.8399 70.5062 -99.3319 70.5059 -8.69964 88.8368 -99.332 88.8377 -129.034 GPRESSURE: 2652600 216.349 73.4683 32.4116 86.9944 -90.2009 133.22 -6.69386 83.1697 -63.1854 PRESSAVG: 2652600 -14.3168 -58.4302 -28.8503 -58.4302 20.6093 -44.6189 -28.8503 -44.6189 6.12564 GPRESSAVG: 2652600 -14.6181 -61.6896 -30.9672 -56.9639 22.11 -44.7594 -28.4608 -43.6362 5.48152 TIMING: 2652600 CPU: 8456.62, 0.00311908/step Wall: 8456.62, 0.00311908/step, 2.03382 hours remaining, 232.652344 MB of memory in use. ENERGY: 2652600 4043.2817 20581.8346 14485.4890 254.5218 -203416.5259 2532.9185 0.0000 0.0000 51822.9966 -109695.4837 297.8275 -161518.4803 -109334.1745 299.1220 -13.9646 20.9876 760977.3178 4.1394 4.3245 PRESSURE: 2652800 189.687 119.216 294.932 119.216 236.621 -126.418 294.932 -126.419 146.46 GPRESSURE: 2652800 156.676 58.8761 280.396 87.0608 317.802 -216.353 188.946 -111.126 183.753 PRESSAVG: 2652800 -3.32941 -47.7743 60.956 -47.7743 39.0522 -9.55781 60.956 -9.55784 -16.2178 GPRESSAVG: 2652800 -3.18469 -47.3931 61.2211 -47.0321 38.1808 -9.43856 60.8126 -9.87075 -15.8806 TIMING: 2652800 CPU: 8457.24, 0.00313648/step Wall: 8457.24, 0.00313648/step, 2.04498 hours remaining, 232.652344 MB of memory in use. ENERGY: 2652800 3992.0850 20467.8239 14555.8947 256.2233 -203701.0116 2791.4905 0.0000 0.0000 51889.8703 -109747.6239 298.2118 -161637.4942 -109378.7368 298.8928 190.9225 219.4101 760718.0596 6.5016 6.3718 PRESSURE: 2653000 152.705 76.8332 -75.1054 76.8322 197.58 -97.3011 -75.1051 -97.3016 548.395 GPRESSURE: 2653000 138.255 61.2813 -150.083 117.441 275.57 -58.0202 -154.294 -107.506 568.529 PRESSAVG: 2653000 13.5608 -9.50045 -21.0683 -9.50043 -10.303 6.74967 -21.0683 6.74964 -2.65533 GPRESSAVG: 2653000 12.9344 -8.96033 -21.6832 -9.89257 -9.52451 6.46843 -20.7559 6.32809 -2.82352 TIMING: 2653000 CPU: 8457.87, 0.00312914/step Wall: 8457.87, 0.00312914/step, 2.04003 hours remaining, 232.652344 MB of memory in use. ENERGY: 2653000 3917.8586 20500.8725 14477.9302 241.8351 -203855.4713 2786.4573 0.0000 0.0000 52141.9841 -109788.5334 299.6607 -161930.5175 -109426.5622 298.6119 299.5601 327.4513 761008.3120 0.2008 0.1955 PRESSURE: 2653200 -29.3779 -32.9037 38.1344 -32.9042 133.586 -83.3837 38.1347 -83.3833 -43.9797 GPRESSURE: 2653200 14.7319 88.1851 32.5122 -13.3 182.489 -53.3287 -61.9109 -78.2277 -51.7943 PRESSAVG: 2653200 -28.4007 -76.9654 10.0042 -76.9654 31.1423 33.0923 10.0042 33.0922 5.18414 GPRESSAVG: 2653200 -27.7492 -78.7996 11.9401 -76.2457 30.5131 34.4553 8.62986 32.8211 5.29289 TIMING: 2653200 CPU: 8458.5, 0.00313249/step Wall: 8458.5, 0.00313249/step, 2.04204 hours remaining, 232.652344 MB of memory in use. ENERGY: 2653200 3977.3810 20444.2165 14386.1601 249.9956 -203676.0842 2549.8914 0.0000 0.0000 52175.5059 -109892.9336 299.8533 -162068.4396 -109522.6754 298.3637 20.0760 48.4754 761809.4242 2.6419 2.6856 PRESSURE: 2653400 158.743 188.758 55.5769 188.758 33.0589 27.5421 55.5763 27.5426 21.2561 GPRESSURE: 2653400 102.984 116.258 -5.97584 40.5793 158.421 -1.44913 -43.9248 93.8391 25.5261 PRESSAVG: 2653400 -36.0455 19.895 16.8505 19.895 38.6401 23.8592 16.8506 23.8592 1.30497 GPRESSAVG: 2653400 -36.668 20.2212 15.4413 18.448 38.5651 21.8374 17.2859 24.7506 1.45224 TIMING: 2653400 CPU: 8459.12, 0.0031225/step Wall: 8459.12, 0.0031225/step, 2.03535 hours remaining, 232.652344 MB of memory in use. ENERGY: 2653400 3963.5498 20539.2651 14490.5574 251.4099 -203573.8481 2481.9115 0.0000 0.0000 52068.0746 -109779.0797 299.2359 -161847.1543 -109414.8852 298.6730 71.0193 95.6438 760678.5013 1.2999 1.1164 PRESSURE: 2653600 -2.44465 148.957 232.703 148.958 -229.985 234.858 232.703 234.858 -51.7873 GPRESSURE: 2653600 -2.07028 94.8944 181.95 251.857 -228.902 145.681 86.6445 99.2911 32.4484 PRESSAVG: 2653600 11.7227 -7.21741 6.52202 -7.21738 -38.9969 45.913 6.52205 45.913 17.3434 GPRESSAVG: 2653600 11.9054 -8.8338 7.98721 -6.23457 -38.1927 45.3652 6.03964 46.0981 16.2487 TIMING: 2653600 CPU: 8459.75, 0.00314426/step Wall: 8459.75, 0.00314426/step, 2.04936 hours remaining, 232.652344 MB of memory in use. ENERGY: 2653600 3966.8302 20669.0027 14486.7804 236.1308 -203310.9639 2371.2097 0.0000 0.0000 51778.6829 -109802.3272 297.5728 -161581.0101 -109443.3063 298.6960 -94.7389 -66.1747 761602.3726 -3.3103 -3.3462 PRESSURE: 2653800 -109.955 -37.3803 248.279 -37.3796 -46.9061 -69.1657 248.28 -69.1642 199.598 GPRESSURE: 2653800 8.4047 17.1416 295.167 -45.5667 -83.0081 -19.6954 237.974 16.6169 210.604 PRESSAVG: 2653800 64.8766 -3.59423 8.71581 -3.59421 -30.6375 18.9212 8.71576 18.9213 -18.5333 GPRESSAVG: 2653800 65.4668 -1.84333 7.61623 -2.21366 -31.6109 20.9868 11.0607 18.4058 -18.4267 TIMING: 2653800 CPU: 8460.38, 0.00313479/step Wall: 8460.38, 0.00313479/step, 2.04301 hours remaining, 232.652344 MB of memory in use. ENERGY: 2653800 3997.2711 20474.2088 14496.5827 225.1704 -203289.5081 2419.0845 0.0000 0.0000 51806.8740 -109870.3167 297.7348 -161677.1907 -109503.9631 298.4609 14.2454 45.3334 761490.6891 5.2353 5.1431 PRESSURE: 2654000 11.794 176.603 -351.366 176.604 -122.181 84.0513 -351.367 84.0507 198.917 GPRESSURE: 2654000 75.3129 11.4013 -272.546 172.829 -47.4781 45.2984 -257.035 149.352 164.459 PRESSAVG: 2654000 21.3772 -89.9467 -58.2223 -89.9467 -41.2884 70.462 -58.2223 70.462 -5.71229 GPRESSAVG: 2654000 21.178 -91.319 -58.8257 -90.68 -40.7485 68.8919 -59.1421 70.6854 -5.43613 TIMING: 2654000 CPU: 8461, 0.00313462/step Wall: 8461, 0.00313462/step, 2.04273 hours remaining, 232.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2654000 3952.0014 20432.3393 14477.6756 251.2076 -203543.2590 2479.1822 0.0000 0.0000 51857.8315 -110093.0216 298.0277 -161950.8531 -109724.2091 298.1115 29.5099 64.0980 760779.0099 -8.5412 -8.3355 PRESSURE: 2654200 -57.5763 -170.126 75.0336 -170.125 -111.928 -155.033 75.0332 -155.033 -132.687 GPRESSURE: 2654200 14.4789 -214.049 76.5272 -54.8255 -124.336 -137.685 120.049 -153.986 -104.163 PRESSAVG: 2654200 93.2822 -49.5249 16.5348 -49.5248 -76.6829 33.6138 16.5349 33.6138 18.437 GPRESSAVG: 2654200 94.3911 -48.2798 17.6727 -49.9151 -77.563 34.1814 15.33 33.1504 18.0936 TIMING: 2654200 CPU: 8461.63, 0.00313137/step Wall: 8461.63, 0.00313137/step, 2.04044 hours remaining, 232.652344 MB of memory in use. ENERGY: 2654200 3967.6749 20698.8110 14462.0522 241.1766 -203649.2121 2637.8368 0.0000 0.0000 51645.5118 -109996.1489 296.8075 -161641.6607 -109643.8222 297.7493 -100.7303 -71.3402 759894.7431 11.6787 11.6405 PRESSURE: 2654400 -86.3819 32.8954 -156.013 32.895 -76.9641 -14.4577 -156.013 -14.4572 -307.627 GPRESSURE: 2654400 -26.3259 49.9436 -134.735 26.9193 -42.5922 -40.8392 -43.2632 -33.9666 -323.017 PRESSAVG: 2654400 71.345 -30.5407 23.9754 -30.5407 -14.464 -14.2884 23.9754 -14.2884 41.0144 GPRESSAVG: 2654400 69.6276 -31.0264 23.0248 -30.8968 -12.4041 -14.3387 26.927 -14.2565 40.7886 TIMING: 2654400 CPU: 8462.25, 0.00312197/step Wall: 8462.25, 0.00312197/step, 2.03414 hours remaining, 232.652344 MB of memory in use. ENERGY: 2654400 4071.4997 20399.3266 14508.2174 251.9541 -203238.0497 2337.1969 0.0000 0.0000 51775.0102 -109894.8448 297.5517 -161669.8550 -109527.2518 297.6086 -156.9910 -130.6449 761000.5237 32.6318 32.6707 PRESSURE: 2654600 432.117 -153.419 58.2603 -153.419 -126.885 -73.5376 58.2602 -73.5381 -296.603 GPRESSURE: 2654600 348.705 -201.555 -10.293 -2.38684 -28.8198 -81.0738 -12.6519 30.5964 -211.185 PRESSAVG: 2654600 83.6539 -3.20921 -7.8918 -3.20921 -62.0226 35.0968 -7.89182 35.0969 -28.8554 GPRESSAVG: 2654600 82.5996 -2.88468 -8.37517 -2.15563 -62.7727 34.9163 -9.22311 39.1484 -27.5112 TIMING: 2654600 CPU: 8462.88, 0.0031249/step Wall: 8462.88, 0.0031249/step, 2.03587 hours remaining, 232.652344 MB of memory in use. ENERGY: 2654600 3953.6129 20493.3110 14454.9865 237.7696 -203598.3291 2544.6094 0.0000 0.0000 52070.7239 -109843.3158 299.2512 -161914.0397 -109484.0757 298.1514 2.8766 36.2333 761511.6445 -2.4080 -2.5614 PRESSURE: 2654800 -137.268 55.5601 1.85815 55.5607 -498.513 102.285 1.85782 102.284 -177.687 GPRESSURE: 2654800 -77.6162 130.656 93.7096 -89.3668 -463.396 61.1898 113.269 -7.77741 -196.952 PRESSAVG: 2654800 9.1672 -13.5981 23.5839 -13.5981 -20.204 50.1241 23.5839 50.1242 -5.60856 GPRESSAVG: 2654800 10.8046 -14.9348 24.8316 -12.6465 -20.4649 49.7131 23.4725 46.9135 -6.63929 TIMING: 2654800 CPU: 8463.5, 0.0031135/step Wall: 8463.5, 0.0031135/step, 2.02827 hours remaining, 232.652344 MB of memory in use. ENERGY: 2654800 3986.7019 20560.5935 14474.4807 255.3647 -203136.5332 2284.7957 0.0000 0.0000 51924.7102 -109649.8865 298.4120 -161574.5967 -109287.2012 298.6200 -271.1557 -245.9879 762372.4696 -5.5485 -5.4332 PRESSURE: 2655000 273.704 50.5636 -282.494 50.5639 126.181 179.454 -282.494 179.454 377.121 GPRESSURE: 2655000 243.211 -68.9031 -281.172 107.294 142.523 288.234 -202.878 8.78169 462.534 PRESSAVG: 2655000 43.5176 -60.3805 -22.8908 -60.3806 18.9925 -8.02993 -22.8908 -8.02988 2.94797 GPRESSAVG: 2655000 43.6284 -59.869 -24.0769 -61.1184 19.2893 -6.71816 -23.5517 -8.68519 2.31647 TIMING: 2655000 CPU: 8464.13, 0.00312985/step Wall: 8464.13, 0.00312985/step, 2.03875 hours remaining, 232.652344 MB of memory in use. ENERGY: 2655000 4001.6827 20727.3549 14464.3506 239.4381 -203520.9375 2592.2743 0.0000 0.0000 52040.4707 -109455.3662 299.0773 -161495.8369 -109097.5457 299.1889 259.0020 282.7560 760891.0473 21.8193 21.7447 PRESSURE: 2655200 -247.462 -73.5143 -47.223 -73.5148 20.6833 223.511 -47.2228 223.512 -382.864 GPRESSURE: 2655200 -237.57 -19.0641 -36.1718 -116.709 106.985 169.314 -13.4239 193.318 -407.821 PRESSAVG: 2655200 15.5717 -68.8257 -6.97035 -68.8256 -18.7802 40.3544 -6.97032 40.3545 7.75431 GPRESSAVG: 2655200 14.1505 -65.7003 -5.99863 -70.9837 -17.5755 37.8701 -4.67502 41.7666 7.97019 TIMING: 2655200 CPU: 8464.75, 0.00310373/step Wall: 8464.75, 0.00310373/step, 2.02156 hours remaining, 232.652344 MB of memory in use. ENERGY: 2655200 3997.1783 20620.2172 14492.8901 234.3998 -203000.9912 2221.7780 0.0000 0.0000 51915.0840 -109519.4438 298.3567 -161434.5277 -109157.5745 299.7597 -203.2142 -179.4690 761502.9627 1.5153 1.5151 PRESSURE: 2655400 46.1522 1.00176 16.6316 1.00188 -74.2827 -67.7037 16.6306 -67.7044 -356.173 GPRESSURE: 2655400 62.642 -22.7665 -33.1027 29.4319 -2.15044 42.0481 121.543 17.6784 -371.308 PRESSAVG: 2655400 -12.4869 -7.37192 14.7604 -7.3719 2.51775 -8.85347 14.7604 -8.85346 -13.5339 GPRESSAVG: 2655400 -12.3323 -8.54984 14.5768 -7.15636 2.2166 -7.79967 14.6396 -9.85752 -13.0054 TIMING: 2655400 CPU: 8465.37, 0.00311591/step Wall: 8465.37, 0.00311591/step, 2.02933 hours remaining, 232.652344 MB of memory in use. ENERGY: 2655400 4080.3379 20610.1674 14517.4342 233.0034 -203695.1949 2631.3448 0.0000 0.0000 52344.4926 -109278.4147 300.8245 -161622.9073 -108924.8612 300.3666 -128.1011 -103.6056 761293.8948 -7.8343 -7.7070 PRESSURE: 2655600 151.964 226.734 -150.767 226.734 -279.164 -70.7164 -150.767 -70.7159 -270.05 GPRESSURE: 2655600 138.372 154.246 -207.158 143.576 -196.675 -146.879 -169.712 19.1964 -242.617 PRESSAVG: 2655600 28.543 -36.1415 -10.916 -36.1416 25.9128 -1.16804 -10.916 -1.16791 14.2221 GPRESSAVG: 2655600 28.9088 -38.448 -11.4862 -33.7279 24.0498 -1.29911 -12.1883 -1.46448 16.0053 TIMING: 2655600 CPU: 8466, 0.00312912/step Wall: 8466, 0.00312912/step, 2.03776 hours remaining, 232.652344 MB of memory in use. ENERGY: 2655600 4025.4647 20670.1511 14449.0959 246.0663 -203131.2791 2442.7839 0.0000 0.0000 51890.0848 -109407.6323 298.2130 -161297.7171 -109041.1727 300.1436 -132.4164 -100.3068 761398.3706 22.8926 22.9880 PRESSURE: 2655800 138.78 -117.681 -292.787 -117.682 20.6439 142.95 -292.787 142.95 233.339 GPRESSURE: 2655800 81.1729 -41.5258 -296.493 -213.487 113.402 105.61 -236.892 115.74 286.894 PRESSAVG: 2655800 -51.9822 -60.7863 -43.4108 -60.7863 45.2244 -6.12762 -43.4108 -6.12761 9.49881 GPRESSAVG: 2655800 -51.6831 -56.7534 -43.9032 -62.403 45.8768 -6.96015 -41.3972 -3.4102 8.7247 TIMING: 2655800 CPU: 8466.62, 0.00312872/step Wall: 8466.62, 0.00312872/step, 2.03732 hours remaining, 232.652344 MB of memory in use. ENERGY: 2655800 3985.1028 20642.9214 14419.5531 228.6978 -203589.1155 2741.2719 0.0000 0.0000 52184.2601 -109387.3084 299.9037 -161571.5685 -109033.0652 299.8347 130.9212 160.4896 759186.8234 0.9137 0.9728 PRESSURE: 2656000 -194.203 141.574 79.3062 141.575 -135.006 302.185 79.307 302.183 -228.207 GPRESSURE: 2656000 -187.381 148.792 88.5613 197.541 -72.4644 340.985 -103.913 281.866 -192.924 PRESSAVG: 2656000 58.3384 28.0568 -68.237 28.0568 -38.4498 -15.9637 -68.237 -15.9637 6.93509 GPRESSAVG: 2656000 57.0641 23.3713 -67.8686 30.1916 -38.4658 -14.8422 -69.5259 -17.1484 8.45549 TIMING: 2656000 CPU: 8467.25, 0.00314255/step Wall: 8467.25, 0.00314255/step, 2.04615 hours remaining, 232.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2656000 3973.1007 20616.2531 14513.8244 234.8018 -203585.4454 2553.9420 0.0000 0.0000 52340.9982 -109352.5253 300.8044 -161693.5235 -108997.1556 299.7465 -185.8054 -150.9232 762118.3160 8.9412 9.0179 PRESSURE: 2656200 175.228 -163.409 -210.722 -163.409 -28.8552 -90.2122 -210.722 -90.2128 -37.4281 GPRESSURE: 2656200 135.14 -146.741 -108.434 -189.067 38.6489 -164.609 -155.583 -51.6707 20.1229 PRESSAVG: 2656200 11.8105 -12.1803 -56.1473 -12.1803 -50.4905 23.0079 -56.1473 23.008 20.5973 GPRESSAVG: 2656200 13.0431 -11.0702 -56.1374 -13.562 -51.2249 22.2285 -57.1163 20.5763 20.6154 TIMING: 2656200 CPU: 8467.88, 0.00313368/step Wall: 8467.88, 0.00313368/step, 2.0402 hours remaining, 232.652344 MB of memory in use. ENERGY: 2656200 3981.5731 20553.9111 14525.1065 242.8762 -203608.9737 2841.3726 0.0000 0.0000 52059.1037 -109405.0305 299.1844 -161464.1342 -109051.0455 299.7469 36.3150 64.6374 761873.7607 -6.0276 -5.8555 LDB: ============= START OF LOAD BALANCING ============== 8480.3 LDB: ============== END OF LOAD BALANCING =============== 8480.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8480.3 LDB: ============= START OF LOAD BALANCING ============== 8480.61 LDB: Largest compute 7031 load 0.035353 is 18.1% of average load 0.195514 LDB: Average compute 0.004385 is 2.2% of average load 0.195514 LDB: TIME 8480.62 LOAD: AVG 0.195514 MAX 0.218211 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 8480.62 LOAD: AVG 0.195514 MAX 0.218211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 8480.62 LOAD: AVG 0.195514 MAX 0.218094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 8480.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8480.62 PRESSURE: 2656400 -160.04 -124.693 217.012 -124.693 -66.6472 241.502 217.012 241.503 -371.116 GPRESSURE: 2656400 -158.261 -59.795 223.636 3.00482 -74.2131 238.019 164.099 183.321 -295.89 PRESSAVG: 2656400 15.6187 -26.7681 -24.1164 -26.7681 30.4357 -44.059 -24.1164 -44.0589 7.08921 GPRESSAVG: 2656400 15.9583 -25.5791 -23.9748 -26.8125 30.2922 -42.6476 -23.6267 -44.5857 6.35916 TIMING: 2656400 CPU: 8468.52, 0.00319777/step Wall: 8468.52, 0.00319777/step, 2.08175 hours remaining, 232.281250 MB of memory in use. ENERGY: 2656400 3990.6270 20496.0260 14464.4935 255.3684 -203081.1085 2435.2498 0.0000 0.0000 52119.2537 -109320.0902 299.5301 -161439.3438 -108955.7566 299.7904 -199.2675 -176.1215 762941.4465 17.7145 17.5365 PRESSURE: 2656600 -0.381503 8.79188 154.709 8.7922 -71.1349 148.91 154.709 148.91 -255.793 GPRESSURE: 2656600 54.0665 -81.7765 144.682 40.0394 -39.2492 83.6812 100.837 130.92 -250.128 PRESSAVG: 2656600 10.5319 -50.1019 19.9847 -50.1018 10.4585 53.5259 19.9846 53.5259 -2.69997 GPRESSAVG: 2656600 10.3782 -50.4747 19.7966 -49.9048 10.7313 51.8986 18.979 55.3728 -3.16091 TIMING: 2656600 CPU: 8469.14, 0.0031237/step Wall: 8469.14, 0.0031237/step, 2.03336 hours remaining, 232.281250 MB of memory in use. ENERGY: 2656600 3908.1883 20679.9269 14452.6426 239.8006 -203399.3930 2549.5713 0.0000 0.0000 52030.7115 -109538.5519 299.0212 -161569.2634 -109185.9984 299.3771 -109.1032 -78.4370 761479.9499 6.0968 5.9829 PRESSURE: 2656800 -95.0225 63.6038 172.571 63.6034 -364.418 21.8966 172.571 21.8972 197.241 GPRESSURE: 2656800 -110.954 25.2027 146.985 -7.4754 -293 54.4743 163.051 -70.2987 242.688 PRESSAVG: 2656800 -1.20831 -52.0675 25.3631 -52.0676 -20.1246 3.70776 25.3631 3.70778 -6.32286 GPRESSAVG: 2656800 -1.63268 -51.842 24.2976 -51.2189 -19.8091 3.99352 27.804 2.14247 -6.07919 TIMING: 2656800 CPU: 8469.77, 0.00311335/step Wall: 8469.77, 0.00311335/step, 2.02645 hours remaining, 232.281250 MB of memory in use. ENERGY: 2656800 3980.1948 20636.8525 14483.5551 271.4207 -202938.7362 2428.4886 0.0000 0.0000 51683.2669 -109454.9575 297.0244 -161138.2244 -109101.1020 299.1589 -87.4000 -53.7551 762020.9336 -9.2186 -9.1736 PRESSURE: 2657000 144.62 -94.241 187.394 -94.2405 -26.3224 235.505 187.394 235.505 159.331 GPRESSURE: 2657000 153.356 -114.292 162.632 -223.524 94.999 259.737 278.924 236.894 123.97 PRESSAVG: 2657000 31.553 -82.4835 -33.2042 -82.4836 -44.7007 58.2247 -33.2042 58.2247 9.2341 GPRESSAVG: 2657000 30.9864 -83.6202 -31.6195 -83.9372 -43.3449 57.3217 -32.8585 61.2504 8.43392 TIMING: 2657000 CPU: 8470.39, 0.00312455/step Wall: 8470.39, 0.00312455/step, 2.03356 hours remaining, 232.281250 MB of memory in use. ENERGY: 2657000 3994.3561 20577.0615 14496.6157 274.9874 -203795.1993 2897.3314 0.0000 0.0000 51886.6221 -109668.2250 298.1931 -161554.8471 -109311.0748 298.8095 92.5429 124.1084 762307.1938 -1.3045 -1.3082 PRESSURE: 2657200 353.113 -178.164 84.3905 -178.164 -4.85779 121.565 84.3905 121.564 192.556 GPRESSURE: 2657200 364.004 -201.32 70.1865 -47.2116 109.293 35.9034 -156.495 60.6215 156.803 PRESSAVG: 2657200 7.95444 -88.5429 27.9982 -88.5429 -7.55881 35.8167 27.9982 35.8167 5.04059 GPRESSAVG: 2657200 8.06622 -85.6397 28.2178 -91.0733 -7.94322 36.7399 27.8493 33.1515 5.53385 TIMING: 2657200 CPU: 8471.02, 0.00313647/step Wall: 8471.02, 0.00313647/step, 2.04114 hours remaining, 232.281250 MB of memory in use. ENERGY: 2657200 3913.1616 20497.0980 14473.0418 256.4479 -203466.8321 2370.5467 0.0000 0.0000 52221.0731 -109735.4631 300.1152 -161956.5362 -109372.7488 298.8748 180.2703 210.0332 761937.7448 1.8121 1.8856 PRESSURE: 2657400 94.8187 -13.7676 86.4293 -13.7673 -272.237 5.18548 86.4299 5.18408 -63.4298 GPRESSURE: 2657400 114.17 -44.6836 71.7374 -16.0721 -249.396 41.0859 9.12159 57.7722 -25.557 PRESSAVG: 2657400 -28.6345 -67.0573 -17.3903 -67.0574 -0.659953 88.6621 -17.3903 88.662 6.04529 GPRESSAVG: 2657400 -29.3848 -70.231 -16.913 -63.0517 -0.739545 90.0113 -19.9742 87.6314 6.47517 TIMING: 2657400 CPU: 8471.65, 0.00314858/step Wall: 8471.65, 0.00314858/step, 2.04885 hours remaining, 232.281250 MB of memory in use. ENERGY: 2657400 3987.6014 20567.7057 14500.9041 251.9820 -203749.6557 2793.9660 0.0000 0.0000 51934.8567 -109712.6398 298.4703 -161647.4965 -109355.4327 298.7117 -80.2826 -53.5942 761647.8655 -7.7497 -7.8831 PRESSURE: 2657600 -222.538 -167.762 -77.5875 -167.762 -42.547 1.36989 -77.5876 1.37122 -278.301 GPRESSURE: 2657600 -123.109 -178.956 -67.3882 -213.898 9.80329 -25.5574 -134.61 -22.7168 -326.33 PRESSAVG: 2657600 28.0638 -16.6933 -25.9208 -16.6933 -9.25922 8.74008 -25.9208 8.74014 23.0494 GPRESSAVG: 2657600 29.2627 -15.1308 -25.2585 -18.2481 -10.5072 8.04716 -24.7737 7.89438 22.4386 TIMING: 2657600 CPU: 8472.28, 0.00314133/step Wall: 8472.28, 0.00314133/step, 2.04396 hours remaining, 232.281250 MB of memory in use. ENERGY: 2657600 4038.4352 20431.9147 14542.6107 256.1760 -203385.5226 2443.8661 0.0000 0.0000 52092.2786 -109580.2413 299.3750 -161672.5199 -109221.4129 299.2440 -181.1286 -146.5453 761918.3665 13.9513 13.7314 PRESSURE: 2657800 56.9143 11.5025 -205.459 11.5024 152.731 16.8898 -205.459 16.8892 26.948 GPRESSURE: 2657800 55.3071 -7.04848 -191.129 -39.4619 194.575 -66.0472 -159.234 4.32492 61.8959 PRESSAVG: 2657800 7.94385 -1.19548 -0.837672 -1.19546 2.01636 28.1565 -0.837704 28.1566 3.10801 GPRESSAVG: 2657800 8.28284 -4.30204 -1.86697 0.135154 1.63227 26.6551 0.730079 31.5194 3.5772 TIMING: 2657800 CPU: 8472.91, 0.00315188/step Wall: 8472.91, 0.00315188/step, 2.05065 hours remaining, 232.281250 MB of memory in use. ENERGY: 2657800 4040.6134 20592.7575 14600.3239 243.4676 -203989.7901 2996.7489 0.0000 0.0000 52019.8608 -109496.0181 298.9589 -161515.8788 -109142.0949 299.5142 78.8645 103.9262 760432.6574 4.3561 4.4974 PRESSURE: 2658000 -101.817 -251.106 255.343 -251.105 237.038 131.124 255.342 131.124 0.721669 GPRESSURE: 2658000 -21.3074 -118.935 226.253 -286.291 349.397 149.523 267.532 169.044 -91.4252 PRESSAVG: 2658000 33.9249 -68.7553 24.5316 -68.7553 -16.9519 11.4424 24.5316 11.4424 1.79432 GPRESSAVG: 2658000 33.3061 -66.1123 25.4035 -68.7843 -15.2482 13.2039 22.7297 9.2861 0.725407 TIMING: 2658000 CPU: 8473.53, 0.00313986/step Wall: 8473.53, 0.00313986/step, 2.04266 hours remaining, 232.281250 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: 2658000 3988.4528 20532.1698 14476.4121 244.2551 -203525.9214 2752.1329 0.0000 0.0000 51976.8026 -109555.6960 298.7114 -161532.4986 -109196.5863 299.1415 45.3142 78.8881 760353.3294 6.2558 6.2611 PRESSURE: 2658200 -228.684 77.184 -127.223 77.1836 -76.1632 132.025 -127.223 132.025 -364.045 GPRESSURE: 2658200 -170.099 -19.1102 -99.1594 122.745 -44.2761 114.505 -5.74042 83.2034 -380.848 PRESSAVG: 2658200 12.7584 -22.1898 -25.9822 -22.1897 -5.46871 3.70525 -25.9822 3.70521 -15.0449 GPRESSAVG: 2658200 12.5001 -23.6092 -25.9237 -21.5797 -5.39011 4.49815 -23.1557 2.92922 -14.9006 TIMING: 2658200 CPU: 8474.16, 0.00311748/step Wall: 8474.16, 0.00311748/step, 2.02792 hours remaining, 232.281250 MB of memory in use. ENERGY: 2658200 4064.5848 20553.5343 14519.5995 242.0220 -203252.9986 2579.1792 0.0000 0.0000 51870.3484 -109423.7305 298.0996 -161294.0788 -109056.5767 299.4637 -222.9641 -198.4076 762118.1725 -2.5851 -2.5969 PRESSURE: 2658400 83.5436 -157.391 66.0684 -157.391 -400.396 -36.4689 66.0679 -36.4685 -98.5739 GPRESSURE: 2658400 71.2396 -134.503 91.4018 -218.233 -268.747 -70.4019 -90.7015 -85.0501 -152.351 PRESSAVG: 2658400 59.8475 -26.5873 23.4508 -26.5874 -86.6321 45.445 23.4508 45.4449 18.3291 GPRESSAVG: 2658400 60.2761 -25.9244 23.6227 -26.3871 -88.0779 45.2171 22.1811 45.0722 19.1638 TIMING: 2658400 CPU: 8474.79, 0.00314111/step Wall: 8474.79, 0.00314111/step, 2.04312 hours remaining, 232.281250 MB of memory in use. ENERGY: 2658400 3912.7964 20606.7142 14429.3991 254.2938 -203269.0436 2428.2338 0.0000 0.0000 52013.7069 -109623.8996 298.9235 -161637.6064 -109261.2195 299.1648 -138.4753 -116.6196 760537.2396 -2.8185 -2.8793 PRESSURE: 2658600 -185.157 -123.691 -170.614 -123.691 -141.137 -95.9428 -170.614 -95.9416 107.879 GPRESSURE: 2658600 -113.467 -100.167 -113.51 -183.461 -140.311 -65.5182 -130.369 4.31342 125.682 PRESSAVG: 2658600 6.34196 -67.8708 19.3197 -67.8708 -1.97125 9.42025 19.3197 9.42028 -1.34451 GPRESSAVG: 2658600 5.56158 -65.9851 19.8085 -68.8927 -1.17608 8.52326 20.6089 10.1134 -0.672588 TIMING: 2658600 CPU: 8475.41, 0.00313117/step Wall: 8475.41, 0.00313117/step, 2.03648 hours remaining, 232.281250 MB of memory in use. ENERGY: 2658600 4003.5188 20510.1444 14424.6587 238.5263 -202890.4861 2134.4033 0.0000 0.0000 51960.3198 -109618.9149 298.6167 -161579.2347 -109269.7719 299.2510 -72.8053 -42.6989 760842.4444 1.0087 1.2376 PRESSURE: 2658800 216.515 -96.2074 121.589 -96.2074 -8.40966 78.8306 121.589 78.8312 39.1121 GPRESSURE: 2658800 262.769 -83.3322 5.77754 -91.5676 88.5499 30.4779 148.525 214.476 -34.6298 PRESSAVG: 2658800 9.78897 -38.5313 -34.9004 -38.5312 -19.3795 11.5908 -34.9004 11.5907 -7.22345 GPRESSAVG: 2658800 10.9992 -40.7284 -37.5953 -39.7923 -19.221 11.4195 -35.0258 13.4673 -8.44592 TIMING: 2658800 CPU: 8476.04, 0.00313318/step Wall: 8476.04, 0.00313318/step, 2.03761 hours remaining, 232.281250 MB of memory in use. ENERGY: 2658800 3973.6075 20320.9028 14427.1437 259.9168 -202771.4292 2150.9623 0.0000 0.0000 52009.4760 -109629.4201 298.8992 -161638.8961 -109265.6712 298.5874 82.4057 105.5631 762811.8447 -5.6046 -5.5559 PRESSURE: 2659000 250.539 -223.215 171.901 -223.215 64.789 -39.8643 171.902 -39.8643 124.26 GPRESSURE: 2659000 367.947 -14.8251 144.749 -48.1349 37.9284 -44.8606 123.434 -94.2441 112.959 PRESSAVG: 2659000 22.2514 -41.0651 34.5336 -41.0651 5.32045 -3.67174 34.5336 -3.67176 3.8053 GPRESSAVG: 2659000 23.7323 -42.0734 35.2637 -39.2392 4.27388 -3.00045 34.4772 -5.41625 3.45948 TIMING: 2659000 CPU: 8476.67, 0.00315682/step Wall: 8476.67, 0.00315682/step, 2.05281 hours remaining, 232.281250 MB of memory in use. ENERGY: 2659000 3909.2633 20472.3720 14443.8402 243.4719 -203155.6894 2445.6095 0.0000 0.0000 51940.2652 -109700.8674 298.5014 -161641.1326 -109347.0561 298.3210 146.5291 172.9449 760427.6887 10.4591 10.4886 PRESSURE: 2659200 62.861 175.085 -279.136 175.085 -162.502 -123.433 -279.136 -123.434 -173.471 GPRESSURE: 2659200 93.6662 165.038 -197.143 174.019 -118.353 -41.1853 -195.136 -96.5064 -156.151 PRESSAVG: 2659200 46.2256 -85.448 24.9047 -85.4481 -58.1168 28.4039 24.9047 28.404 -25.7404 GPRESSAVG: 2659200 44.2796 -83.683 27.4272 -84.9775 -57.5185 29.0195 22.9112 28.435 -24.1369 TIMING: 2659200 CPU: 8477.3, 0.00314785/step Wall: 8477.3, 0.00314785/step, 2.0468 hours remaining, 232.281250 MB of memory in use. ENERGY: 2659200 3987.1105 20526.7388 14373.1740 246.2896 -203143.2802 2323.0659 0.0000 0.0000 52166.3172 -109520.5842 299.8005 -161686.9014 -109154.0076 299.3543 -91.0373 -60.2792 762082.1832 -12.5439 -12.4586 PRESSURE: 2659400 -293.017 -257.003 -36.927 -257.003 -6.29936 -129.687 -36.9272 -129.687 -207.941 GPRESSURE: 2659400 -217.97 -257.803 17.3007 -283.019 18.2673 -125.833 -98.7267 -142.41 -204.494 PRESSAVG: 2659400 -28.1379 -78.8352 21.929 -78.8352 22.3632 -53.9505 21.9289 -53.9505 -10.6631 GPRESSAVG: 2659400 -27.8522 -80.3717 20.1465 -79.6053 21.6339 -53.1759 23.6584 -52.7794 -10.6775 TIMING: 2659400 CPU: 8477.93, 0.00317254/step Wall: 8477.93, 0.00317254/step, 2.06268 hours remaining, 232.281250 MB of memory in use. ENERGY: 2659400 3990.7799 20537.7953 14439.1853 230.8109 -203117.8304 2269.3330 0.0000 0.0000 52312.3251 -109337.6009 300.6397 -161649.9260 -108971.4663 299.6304 -169.0857 -134.7322 761071.0648 -5.4793 -5.6319 PRESSURE: 2659600 -104.878 3.7385 28.8057 3.7391 139.957 40.0836 28.8065 40.0833 302.209 GPRESSURE: 2659600 -46.1361 -88.4206 -45.7585 -85.7633 214.111 -9.19754 -2.95805 7.93323 269.733 PRESSAVG: 2659600 74.0878 -28.5012 14.7838 -28.5012 -86.7163 32.3021 14.7838 32.302 4.54752 GPRESSAVG: 2659600 74.8847 -28.5165 14.5639 -30.0801 -86.2528 28.8537 13.9871 32.3967 3.86362 TIMING: 2659600 CPU: 8478.56, 0.00314502/step Wall: 8478.56, 0.00314502/step, 2.04461 hours remaining, 232.281250 MB of memory in use. ENERGY: 2659600 3948.0913 20455.1841 14475.7281 234.8888 -203552.2675 2756.2460 0.0000 0.0000 52062.7595 -109619.3697 299.2054 -161682.1291 -109253.9718 299.6152 112.4295 145.9023 761351.8518 -2.6937 -2.5015 PRESSURE: 2659800 -18.9738 82.9073 131.594 82.9078 30.3878 234.752 131.593 234.753 -470.844 GPRESSURE: 2659800 76.5379 178.282 131.097 0.818703 6.46595 281.31 115.076 231.447 -459.392 PRESSAVG: 2659800 21.4286 -41.0281 31.4122 -41.0281 34.0044 14.8909 31.4122 14.8908 0.297217 GPRESSAVG: 2659800 20.5722 -42.658 30.6747 -40.0296 35.0934 16.6174 31.7149 14.9678 0.0860277 TIMING: 2659800 CPU: 8479.2, 0.00316047/step Wall: 8479.2, 0.00316047/step, 2.05448 hours remaining, 232.281250 MB of memory in use. ENERGY: 2659800 3985.7972 20498.5520 14523.0579 243.1082 -202802.2522 2058.1239 0.0000 0.0000 51911.1915 -109582.4215 298.3343 -161493.6130 -109214.5394 299.2761 -153.1432 -125.4626 759867.2382 18.5767 18.5839 PRESSURE: 2660000 -168.349 -162.718 -110.702 -162.717 161.212 -60.5008 -110.702 -60.501 -18.2565 GPRESSURE: 2660000 -14.1464 -110.993 -47.3742 -113.265 146.085 -49.3831 136.322 -107.432 -48.4541 PRESSAVG: 2660000 2.78214 -13.7285 36.3569 -13.7285 17.9195 36.1675 36.3569 36.1675 -10.0459 GPRESSAVG: 2660000 3.23754 -10.9644 37.9793 -13.1151 16.339 36.4127 36.0828 36.186 -9.09895 TIMING: 2660000 CPU: 8479.83, 0.00315812/step Wall: 8479.83, 0.00315812/step, 2.05278 hours remaining, 232.281250 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: 2660000 3998.0631 20499.6869 14503.9578 244.2226 -203418.5185 2382.8552 0.0000 0.0000 52139.9338 -109649.7991 299.6489 -161789.7329 -109282.7979 299.4622 -8.4644 27.8283 760527.6653 3.5519 3.4925 PRESSURE: 2660200 -140.378 -50.6973 9.97646 -50.6978 -38.9912 27.0202 9.97631 27.0198 -171.599 GPRESSURE: 2660200 -107.887 -76.3512 -99.5146 -27.2023 45.3192 115.453 -11.358 -38.032 -210.044 PRESSAVG: 2660200 17.1679 -47.0115 -5.80287 -47.0116 -40.1467 54.2116 -5.80284 54.2115 16.1596 GPRESSAVG: 2660200 17.2675 -49.5572 -5.94525 -47.2806 -39.5906 55.1541 -5.71775 52.5183 15.534 TIMING: 2660200 CPU: 8480.46, 0.00314195/step Wall: 8480.46, 0.00314195/step, 2.04209 hours remaining, 232.281250 MB of memory in use. ENERGY: 2660200 4016.5193 20513.6635 14406.0495 241.0837 -203159.3243 2560.8004 0.0000 0.0000 51920.0330 -109501.1749 298.3851 -161421.2079 -109148.7299 299.6940 -116.9895 -90.8704 760290.7847 -2.2731 -2.2630 LDB: ============= START OF LOAD BALANCING ============== 8492.88 LDB: ============== END OF LOAD BALANCING =============== 8492.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8492.88 LDB: ============= START OF LOAD BALANCING ============== 8493.2 LDB: Largest compute 7031 load 0.034150 is 17.5% of average load 0.195452 LDB: Average compute 0.004379 is 2.2% of average load 0.195452 LDB: TIME 8493.2 LOAD: AVG 0.195452 MAX 0.215702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.273 MB LDB: TIME 8493.2 LOAD: AVG 0.195452 MAX 0.215702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: TIME 8493.2 LOAD: AVG 0.195452 MAX 0.215702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: ============== END OF LOAD BALANCING =============== 8493.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8493.21 PRESSURE: 2660400 188.616 -115.749 329.547 -115.75 193.564 -87.4162 329.548 -87.415 515.473 GPRESSURE: 2660400 205.796 -123.559 434.251 -183.797 286.277 2.95209 179.57 23.9552 509.913 PRESSAVG: 2660400 -3.20658 -9.71283 6.13033 -9.71281 31.4173 -10.7019 6.13037 -10.7019 -30.1 GPRESSAVG: 2660400 -3.51499 -8.00827 6.86161 -8.28259 32.0881 -10.2496 6.9548 -8.48508 -30.958 TIMING: 2660400 CPU: 8481.1, 0.00322306/step Wall: 8481.1, 0.00322306/step, 2.09463 hours remaining, 234.972656 MB of memory in use. ENERGY: 2660400 3930.7289 20305.2578 14472.0552 260.4112 -203361.0641 2644.0047 0.0000 0.0000 52148.6337 -109599.9724 299.6989 -161748.6062 -109230.0877 298.9842 299.2176 333.9955 760354.5577 -0.6297 -0.7950 PRESSURE: 2660600 -309.396 -177.41 -360.74 -177.41 77.7887 4.41561 -360.741 4.4154 -514.492 GPRESSURE: 2660600 -286.692 -241.082 -305.744 -256.212 49.1186 -4.96963 -258.923 -17.3126 -409.013 PRESSAVG: 2660600 -21.4015 -70.4069 -3.14108 -70.4069 24.6146 14.3302 -3.14108 14.3302 16.7551 GPRESSAVG: 2660600 -21.2722 -71.4664 -5.05628 -71.8043 23.6864 14.2483 -5.49303 11.3064 18.6542 TIMING: 2660600 CPU: 8481.73, 0.00316479/step Wall: 8481.73, 0.00316479/step, 2.05658 hours remaining, 234.972656 MB of memory in use. ENERGY: 2660600 3998.3662 20443.9517 14493.3018 236.3958 -203037.0797 2146.8300 0.0000 0.0000 52104.9860 -109613.2482 299.4481 -161718.2342 -109259.8251 299.4107 -248.6999 -215.5287 759099.3626 6.6560 7.0228 PRESSURE: 2660800 137.376 53.7553 63.4941 53.7548 69.0252 115.279 63.4942 115.278 152.58 GPRESSURE: 2660800 237.575 -12.4621 17.2378 78.9116 120.948 237.955 138.082 51.2282 93.6159 PRESSAVG: 2660800 -32.5301 -73.3564 -71.1887 -73.3564 59.3245 47.9052 -71.1886 47.9052 22.8376 GPRESSAVG: 2660800 -31.8681 -73.2751 -67.9683 -73.6936 58.7958 46.3322 -68.5012 50.7417 22.0005 TIMING: 2660800 CPU: 8482.37, 0.00316147/step Wall: 8482.37, 0.00316147/step, 2.05425 hours remaining, 234.972656 MB of memory in use. ENERGY: 2660800 3953.3335 20380.5203 14516.9442 241.2783 -203436.3873 2373.5723 0.0000 0.0000 52015.9673 -109954.7715 298.9365 -161970.7388 -109590.5291 299.4320 119.6605 150.7129 759345.8815 16.5440 16.3094 PRESSURE: 2661000 -398.415 -66.3826 79.9991 -66.3829 -305.748 -4.47891 79.9992 -4.47949 -309.516 GPRESSURE: 2661000 -321.436 -170.57 -22.4094 -91.8252 -317.673 -70.8448 92.2472 1.95764 -300.33 PRESSAVG: 2661000 0.189702 -71.3579 47.2411 -71.358 -30.1808 1.77293 47.241 1.77295 15.3743 GPRESSAVG: 2661000 -0.590069 -72.3833 44.2203 -72.3322 -29.3011 1.87177 46.7296 2.02421 15.698 TIMING: 2661000 CPU: 8482.99, 0.00314389/step Wall: 8482.99, 0.00314389/step, 2.04266 hours remaining, 234.972656 MB of memory in use. ENERGY: 2661000 3966.4429 20628.7227 14431.8082 246.7855 -203393.7225 2164.9165 0.0000 0.0000 51966.1181 -109988.9287 298.6500 -161955.0468 -109627.2750 298.9257 -337.8930 -313.1463 761187.2182 -4.8723 -4.7311 PRESSURE: 2661200 82.5695 184.187 80.8759 184.187 -116.602 -231.498 80.8759 -231.498 312.756 GPRESSURE: 2661200 123.612 112.988 61.1689 88.9559 -48.249 -292.429 25.1251 19.7151 284.447 PRESSAVG: 2661200 53.4311 -6.35054 -2.50919 -6.35055 -15.1372 35.6895 -2.50923 35.6894 20.563 GPRESSAVG: 2661200 53.9709 -4.82506 -1.93251 -5.56575 -15.7238 36.1315 -3.38886 34.595 19.8835 TIMING: 2661200 CPU: 8483.62, 0.00314514/step Wall: 8483.62, 0.00314514/step, 2.04329 hours remaining, 234.972656 MB of memory in use. ENERGY: 2661200 3888.7300 20427.4341 14468.5948 238.4776 -203376.0667 2304.0958 0.0000 0.0000 51993.8176 -110054.9168 298.8092 -162048.7344 -109695.4794 299.0164 92.9078 119.9364 758646.5122 19.6189 19.3769 PRESSURE: 2661400 128.355 2.82553 -121.961 2.82564 80.504 11.8058 -121.962 11.806 226.613 GPRESSURE: 2661400 129.235 78.2871 -157.915 40.9323 105.172 -39.4133 -66.7302 -2.72801 275.004 PRESSAVG: 2661400 33.5523 -41.598 31.1303 -41.598 -57.5857 39.596 31.1304 39.5961 -3.08838 GPRESSAVG: 2661400 33.6417 -38.8456 30.2095 -42.0817 -58.837 38.6441 30.2324 40.6291 -2.33782 TIMING: 2661400 CPU: 8484.26, 0.00316564/step Wall: 8484.26, 0.00316564/step, 2.05643 hours remaining, 234.972656 MB of memory in use. ENERGY: 2661400 4008.5624 20370.5109 14471.9195 249.2017 -203481.3428 2530.0709 0.0000 0.0000 51874.1202 -109976.9571 298.1213 -161851.0773 -109619.0415 298.6254 145.1574 169.8036 759700.1705 -9.0406 -9.1777 PRESSURE: 2661600 47.1362 -54.8113 145.75 -54.8113 -170.671 38.5929 145.75 38.5918 106.929 GPRESSURE: 2661600 108.644 -92.1449 55.5044 -185.493 -138.496 29.077 157.43 213.131 97.9515 PRESSAVG: 2661600 17.7876 32.5573 3.26257 32.5573 -21.4011 -12.3948 3.26259 -12.3948 2.61282 GPRESSAVG: 2661600 17.7147 29.0086 3.32572 35.2875 -19.1207 -10.8752 6.06762 -12.7271 0.86724 TIMING: 2661600 CPU: 8484.89, 0.00316629/step Wall: 8484.89, 0.00316629/step, 2.05668 hours remaining, 234.972656 MB of memory in use. ENERGY: 2661600 3899.1816 20456.5358 14487.2180 254.1292 -203665.0041 2424.6662 0.0000 0.0000 51998.3479 -110144.9253 298.8352 -162143.2732 -109776.5127 298.6839 -5.5352 22.6998 758339.4248 -0.3336 -0.1796 PRESSURE: 2661800 -26.1589 38.506 104.741 38.5062 -351.352 -65.437 104.741 -65.4372 -222.034 GPRESSURE: 2661800 -48.2882 86.1196 153.533 62.645 -241.582 -42.9812 74.2048 0.141201 -242.327 PRESSAVG: 2661800 52.3926 -41.3884 1.64714 -41.3884 -34.4848 22.8018 1.64714 22.8019 -10.2861 GPRESSAVG: 2661800 51.5117 -38.5975 2.38452 -43.8401 -34.4584 20.6139 -1.38826 23.6395 -8.88607 TIMING: 2661800 CPU: 8485.52, 0.00315056/step Wall: 8485.52, 0.00315056/step, 2.04629 hours remaining, 234.972656 MB of memory in use. ENERGY: 2661800 4041.5372 20495.9043 14463.1185 259.2792 -203533.1313 2287.4097 0.0000 0.0000 52124.5865 -109861.2959 299.5607 -161985.8824 -109512.0693 298.9020 -199.8484 -177.3991 759955.6348 2.5405 2.7224 PRESSURE: 2662000 -37.553 55.3687 31.486 55.3686 -142.393 128.772 31.4857 128.772 50.6545 GPRESSURE: 2662000 2.1551 69.9353 35.5808 84.1924 -150.53 91.3451 150.845 168.919 113.23 PRESSAVG: 2662000 12.3248 -110.068 -72.9617 -110.069 -45.5384 0.329265 -72.9617 0.329336 -20.1516 GPRESSAVG: 2662000 12.9396 -112.988 -72.8086 -109.163 -46.3536 1.74932 -69.0183 0.826295 -20.2504 TIMING: 2662000 CPU: 8486.15, 0.0031547/step Wall: 8486.15, 0.0031547/step, 2.0488 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2662000 3938.4672 20462.7147 14385.8974 265.2029 -203181.3933 2315.7845 0.0000 0.0000 51819.1430 -109994.1836 297.8053 -161813.3266 -109623.5582 298.4743 -43.0971 -11.7150 761962.6264 -17.7884 -17.8882 PRESSURE: 2662200 156.438 260.27 235.844 260.269 139.646 -202.763 235.844 -202.764 397.291 GPRESSURE: 2662200 123.774 150.732 239.8 146.107 216.399 -178.875 186.538 -205.962 428.67 PRESSAVG: 2662200 29.3306 -40.8439 -35.3432 -40.8439 -9.95319 44.9737 -35.3432 44.9737 15.8313 GPRESSAVG: 2662200 29.0714 -39.386 -35.3864 -42.2662 -9.48142 45.5302 -38.0344 43.5319 15.7909 TIMING: 2662200 CPU: 8486.78, 0.00315757/step Wall: 8486.78, 0.00315757/step, 2.05049 hours remaining, 234.972656 MB of memory in use. ENERGY: 2662200 3952.3431 20306.3305 14465.9580 243.4530 -203378.5623 2495.8905 0.0000 0.0000 51973.1610 -109941.4262 298.6905 -161914.5872 -109568.2408 298.2763 231.1250 256.2809 761845.7512 11.7362 11.7936 PRESSURE: 2662400 245.48 -58.7901 -44.5641 -58.7906 113.303 -35.7012 -44.5646 -35.7027 -117.616 GPRESSURE: 2662400 181.816 8.55137 -38.5086 -64.9755 187.988 64.3868 -14.3671 -115.369 -32.5246 PRESSAVG: 2662400 -15.3979 -27.9898 19.9793 -27.9899 9.2064 13.4819 19.9793 13.4819 -15.4039 GPRESSAVG: 2662400 -14.6647 -28.1961 22.6573 -27.2686 8.30356 13.915 19.7682 12.6598 -15.5358 TIMING: 2662400 CPU: 8487.41, 0.00314625/step Wall: 8487.41, 0.00314625/step, 2.04297 hours remaining, 234.972656 MB of memory in use. ENERGY: 2662400 3964.3663 20374.1610 14411.5654 239.2165 -203450.2914 2446.4821 0.0000 0.0000 52023.8656 -109990.6344 298.9819 -162014.5001 -109625.1351 298.5930 80.3888 112.4264 758755.6722 -7.1985 -7.2990 PRESSURE: 2662600 97.1233 18.0074 49.7951 18.0082 -212.119 -124.881 49.7949 -124.881 138.708 GPRESSURE: 2662600 143.628 -5.72161 37.544 28.2669 -118.103 -117.073 163.151 -161.765 89.865 PRESSAVG: 2662600 6.24199 -15.3369 22.8128 -15.3369 -30.9435 -3.48166 22.8128 -3.48157 7.3391 GPRESSAVG: 2662600 6.26993 -16.1967 21.3767 -15.096 -31.1676 -5.68842 21.148 -4.35655 7.43474 TIMING: 2662600 CPU: 8488.04, 0.00314497/step Wall: 8488.04, 0.00314497/step, 2.04196 hours remaining, 234.972656 MB of memory in use. ENERGY: 2662600 4042.3777 20493.7218 14397.0578 238.9674 -202963.0230 2151.1391 0.0000 0.0000 51881.5251 -109758.2342 298.1638 -161639.7594 -109395.7119 298.6947 7.9039 38.4636 759030.7840 -5.7875 -5.8210 PRESSURE: 2662800 -74.4167 -23.2461 -82.5051 -23.245 89.6193 103.887 -82.5058 103.886 -591.517 GPRESSURE: 2662800 -32.1018 -47.1359 -130.045 15.0191 76.2634 71.9111 -49.4698 103.416 -514.332 PRESSAVG: 2662800 25.5115 39.0378 -3.10132 39.0378 -18.7272 4.86231 -3.10141 4.86234 -14.8727 GPRESSAVG: 2662800 24.4955 39.6069 -4.04648 40.9456 -17.7614 4.71876 -1.83539 5.56394 -14.0789 TIMING: 2662800 CPU: 8488.67, 0.00315097/step Wall: 8488.67, 0.00315097/step, 2.04568 hours remaining, 234.972656 MB of memory in use. ENERGY: 2662800 4026.0629 20503.4473 14416.4847 221.8862 -203315.4638 2328.4305 0.0000 0.0000 51930.1635 -109888.9887 298.4434 -161819.1522 -109533.4962 298.8037 -192.1048 -156.7236 758471.9301 -2.6961 -2.4483 PRESSURE: 2663000 -78.0622 -84.427 89.0543 -84.4267 -62.0519 -40.7566 89.0541 -40.7564 339.415 GPRESSURE: 2663000 9.38034 -177.049 92.823 -148.027 -25.8689 -138.783 57.4823 60.296 297.52 PRESSAVG: 2663000 65.9738 -59.6084 74.0585 -59.6083 -44.7676 22.003 74.0585 22.0031 17.0185 GPRESSAVG: 2663000 67.388 -58.1594 75.0788 -61.7831 -45.1677 24.0206 74.9408 23.6949 15.1528 TIMING: 2663000 CPU: 8489.3, 0.00315376/step Wall: 8489.3, 0.00315376/step, 2.04732 hours remaining, 234.972656 MB of memory in use. ENERGY: 2663000 3983.9740 20493.2353 14487.4801 240.3076 -203188.0498 2242.9516 0.0000 0.0000 51982.4737 -109757.6276 298.7440 -161740.1013 -109397.0894 298.7453 66.4336 93.6771 757711.8188 12.7416 12.4577 PRESSURE: 2663200 -177.241 -106.381 -11.3492 -106.38 -210.285 -93.2058 -11.3483 -93.2056 27.2318 GPRESSURE: 2663200 -184.766 -91.2439 -22.8779 -152.472 -168.33 18.8556 97.8151 -54.8041 69.9549 PRESSAVG: 2663200 2.26694 -64.0895 47.8985 -64.0896 -46.5392 37.1135 47.8985 37.1136 16.0823 GPRESSAVG: 2663200 1.01259 -63.5874 45.5808 -62.8916 -46.7617 37.0582 48.779 36.1758 17.0113 TIMING: 2663200 CPU: 8489.93, 0.00315161/step Wall: 8489.93, 0.00315161/step, 2.04575 hours remaining, 234.972656 MB of memory in use. ENERGY: 2663200 4009.3643 20354.8673 14397.7386 270.1029 -202637.1662 1889.2580 0.0000 0.0000 52103.2327 -109612.6024 299.4380 -161715.8351 -109248.9718 298.9296 -120.0978 -94.3802 760564.0676 -9.3966 -9.5793 PRESSURE: 2663400 -146.653 -89.552 -14.3062 -89.5524 -94.8929 114.685 -14.3059 114.685 -354.436 GPRESSURE: 2663400 -203.602 -46.3254 -41.7932 -86.8395 -13.4295 80.8723 35.678 103.948 -305.499 PRESSAVG: 2663400 25.6141 -64.7276 16.3958 -64.7276 -61.0617 39.0416 16.3957 39.0416 7.29437 GPRESSAVG: 2663400 25.662 -65.3981 17.1117 -64.6481 -61.8961 38.8415 13.8088 38.8511 8.80825 TIMING: 2663400 CPU: 8490.56, 0.00315258/step Wall: 8490.56, 0.00315258/step, 2.0462 hours remaining, 234.972656 MB of memory in use. ENERGY: 2663400 4009.8302 20448.2523 14442.1254 254.5192 -203442.1694 2409.1890 0.0000 0.0000 52223.6332 -109654.6201 300.1299 -161878.2533 -109295.4693 299.4446 -198.6607 -174.1771 759412.6155 -9.3844 -9.1419 PRESSURE: 2663600 -99.1428 -70.7565 -96.509 -70.7566 114.248 -350.361 -96.5091 -350.362 -97.7032 GPRESSURE: 2663600 -26.1344 -67.4883 -60.2192 -55.0464 109.434 -347.863 -223.341 -298.002 -84.1116 PRESSAVG: 2663600 -12.0162 36.9577 20.5781 36.9577 12.8561 47.6982 20.5781 47.6983 14.3779 GPRESSAVG: 2663600 -11.9227 37.5387 21.1509 37.1307 13.5036 45.9003 21.1502 50.5694 13.5637 TIMING: 2663600 CPU: 8491.19, 0.00315188/step Wall: 8491.19, 0.00315188/step, 2.04557 hours remaining, 234.972656 MB of memory in use. ENERGY: 2663600 3985.2288 20221.0171 14414.9493 236.6948 -202887.9163 2123.2057 0.0000 0.0000 52242.6472 -109664.1735 300.2392 -161906.8207 -109288.6711 299.4705 -27.5326 -0.2706 759791.4736 5.0726 5.0482 PRESSURE: 2663800 124.08 -164.402 13.0576 -164.402 -177.032 76.5217 13.057 76.5218 323.656 GPRESSURE: 2663800 219.737 -63.2067 105.305 -138.927 -168.268 160.385 -86.0296 46.0684 313.085 PRESSAVG: 2663800 -38.658 -69.2695 -46.7137 -69.2694 -10.1757 -21.6872 -46.7137 -21.6871 0.617861 GPRESSAVG: 2663800 -39.0408 -68.9605 -47.9896 -69.2533 -9.75873 -21.0058 -47.9038 -23.2437 0.776265 TIMING: 2663800 CPU: 8491.82, 0.00314624/step Wall: 8491.82, 0.00314624/step, 2.04174 hours remaining, 234.972656 MB of memory in use. ENERGY: 2663800 3910.0869 20425.8839 14467.6265 234.3488 -203890.0937 2812.0692 0.0000 0.0000 52258.1642 -109781.9143 300.3284 -162040.0785 -109421.9617 299.2602 90.2347 121.5183 758391.5425 -16.0719 -16.0077 PRESSURE: 2664000 87.9691 70.5182 -39.3487 70.5186 29.3024 -38.4986 -39.3481 -38.4988 53.6514 GPRESSURE: 2664000 68.1158 51.436 -81.5578 115.124 112.151 -35.2855 -58.5895 70.1214 61.1287 PRESSAVG: 2664000 51.6192 39.271 24.3467 39.2711 -37.6916 69.4533 24.3467 69.4533 -1.7119 GPRESSAVG: 2664000 52.69 37.6675 25.2047 38.0245 -39.0342 70.523 23.9192 70.7709 -2.57852 TIMING: 2664000 CPU: 8492.45, 0.00315862/step Wall: 8492.45, 0.00315862/step, 2.04959 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2664000 4068.9028 20438.8708 14431.4987 243.5547 -203350.7451 2261.9842 0.0000 0.0000 52040.8014 -109865.1326 299.0792 -161905.9340 -109502.5044 299.0611 56.9743 80.4650 757893.3411 4.0719 3.6924 PRESSURE: 2664200 254.156 85.77 245.221 85.7703 356.528 230.642 245.22 230.643 793.697 GPRESSURE: 2664200 260.137 90.4261 236.938 22.5149 414.232 222.979 362.653 64.2907 823.036 PRESSAVG: 2664200 -29.1198 12.1676 -10.483 12.1676 34.3063 20.3564 -10.4829 20.3564 23.756 GPRESSAVG: 2664200 -30.9349 9.5656 -10.5247 13.0752 36.3618 20.6268 -9.03422 17.1593 23.5947 TIMING: 2664200 CPU: 8493.09, 0.00317038/step Wall: 8493.09, 0.00317038/step, 2.05705 hours remaining, 234.972656 MB of memory in use. ENERGY: 2664200 4010.3891 20497.0377 14368.8191 256.6130 -203399.8550 2652.9426 0.0000 0.0000 52046.1556 -109567.8979 299.1100 -161614.0534 -109210.2569 299.0791 468.1272 499.1346 757769.4001 9.6475 9.6738 LDB: ============= START OF LOAD BALANCING ============== 8505.51 LDB: ============== END OF LOAD BALANCING =============== 8505.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8505.51 LDB: ============= START OF LOAD BALANCING ============== 8505.83 LDB: Largest compute 7031 load 0.032203 is 16.5% of average load 0.195378 LDB: Average compute 0.004392 is 2.2% of average load 0.195378 LDB: TIME 8505.83 LOAD: AVG 0.195378 MAX 0.21655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.191 MB LDB: TIME 8505.83 LOAD: AVG 0.195378 MAX 0.21655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: TIME 8505.83 LOAD: AVG 0.195378 MAX 0.21655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: ============== END OF LOAD BALANCING =============== 8505.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8505.84 PRESSURE: 2664400 192.386 74.0454 -3.25652 74.0449 -260.082 142.228 -3.2572 142.228 526.778 GPRESSURE: 2664400 168.649 -11.4327 -46.2472 159.928 -91.3309 93.6592 -142.992 59.3617 452.145 PRESSAVG: 2664400 19.5762 -10.2904 22.8284 -10.2905 -20.82 21.3203 22.8285 21.3202 -0.0610287 GPRESSAVG: 2664400 19.7761 -8.62501 22.3174 -9.17346 -21.4153 21.9063 21.6218 19.7436 0.328076 TIMING: 2664400 CPU: 8493.73, 0.00322034/step Wall: 8493.73, 0.00322034/step, 2.08929 hours remaining, 233.875000 MB of memory in use. ENERGY: 2664400 3988.8382 20674.5845 14384.7802 237.6437 -202915.2224 2135.8425 0.0000 0.0000 52234.6140 -109258.9194 300.1930 -161493.5334 -108913.1349 299.6428 153.0271 176.4879 759113.8602 -0.4349 -0.4370 PRESSURE: 2664600 20.0836 25.0501 -24.2957 25.0499 -238.468 -134.1 -24.2947 -134.101 -180.724 GPRESSURE: 2664600 13.5745 -24.2161 30.7857 -10.0502 -169.043 -150.841 -77.5013 5.81611 -190.398 PRESSAVG: 2664600 68.1308 -7.71089 53.7529 -7.71086 -11.5383 33.2061 53.753 33.2061 -10.5229 GPRESSAVG: 2664600 67.4176 -7.55326 54.1957 -10.512 -11.0177 33.0783 54.1695 37.7458 -10.6306 TIMING: 2664600 CPU: 8494.36, 0.00315298/step Wall: 8494.36, 0.00315298/step, 2.04541 hours remaining, 233.875000 MB of memory in use. ENERGY: 2664600 4112.6996 20507.1689 14464.1850 263.6827 -202990.0280 2371.2451 0.0000 0.0000 51995.1905 -109275.8563 298.8171 -161271.0468 -108920.6249 299.5968 -133.0361 -115.2889 761609.9795 15.3565 15.2564 PRESSURE: 2664800 213.579 -71.8595 -76.0397 -71.8595 -113.017 219.565 -76.0395 219.566 139.898 GPRESSURE: 2664800 264.744 131.648 -16.155 -14.1504 -156.262 148.663 -81.8741 259.893 218.005 PRESSAVG: 2664800 80.0564 16.2665 -28.0573 16.2665 -48.1175 10.3049 -28.0573 10.3049 -7.21829 GPRESSAVG: 2664800 81.4125 17.4832 -28.6599 16.0063 -50.0151 9.98494 -29.7941 9.10108 -6.62379 TIMING: 2664800 CPU: 8495, 0.00316483/step Wall: 8495, 0.00316483/step, 2.05292 hours remaining, 233.875000 MB of memory in use. ENERGY: 2664800 3984.3482 20320.3687 14458.2724 231.0663 -202862.4440 2252.5851 0.0000 0.0000 52213.3801 -109402.4234 300.0710 -161615.8035 -109029.7383 299.5570 80.1531 108.8288 759834.4346 8.2402 8.2578 PRESSURE: 2665000 18.9209 46.4512 -27.4941 46.4515 -236.892 85.2745 -27.4931 85.2746 -48.3263 GPRESSURE: 2665000 118.178 0.0583822 -8.8462 152.844 -228.7 11.9204 -108.422 -3.15192 -48.934 PRESSAVG: 2665000 16.7574 16.7056 -27.7568 16.7057 -8.64507 -13.9543 -27.7568 -13.9543 37.058 GPRESSAVG: 2665000 15.8526 16.0943 -27.8682 20.4167 -6.08302 -14.5871 -27.2577 -14.8 35.4419 TIMING: 2665000 CPU: 8495.63, 0.0031564/step Wall: 8495.63, 0.0031564/step, 2.04727 hours remaining, 233.875000 MB of memory in use. ENERGY: 2665000 3967.3113 20590.9184 14406.2697 262.5916 -202816.3687 2342.2405 0.0000 0.0000 51763.8073 -109483.2300 297.4873 -161247.0373 -109130.4172 299.0888 -88.7657 -53.1519 761075.6767 15.0568 15.0705 PRESSURE: 2665200 -233.967 -179.063 -155.492 -179.063 210.04 -173.816 -155.492 -173.815 -121.753 GPRESSURE: 2665200 -119.338 -217.009 -56.6795 -120.181 140.702 -255.758 -21.654 -74.7386 -66.0764 PRESSAVG: 2665200 35.8386 -22.3448 -36.4657 -22.3448 1.88181 23.8963 -36.4657 23.8963 -33.4705 GPRESSAVG: 2665200 38.0992 -23.2925 -35.7105 -23.3055 -1.50259 23.659 -35.2512 23.5892 -32.2116 TIMING: 2665200 CPU: 8496.26, 0.00314724/step Wall: 8496.26, 0.00314724/step, 2.04116 hours remaining, 233.875000 MB of memory in use. ENERGY: 2665200 3974.0477 20485.2905 14371.7230 228.5791 -203406.1573 2503.1634 0.0000 0.0000 52073.4260 -109769.9277 299.2667 -161843.3537 -109403.5766 298.8656 -48.5599 -14.9042 758865.7607 1.4166 1.4617 PRESSURE: 2665400 -47.1118 -84.7302 132.81 -84.7301 27.863 155.817 132.81 155.816 99.1458 GPRESSURE: 2665400 41.4725 -113.379 163.017 -97.4653 -15.5614 97.2139 114.567 176.671 135.001 PRESSAVG: 2665400 51.357 -79.974 22.2236 -79.974 -43.2174 -36.4656 22.2237 -36.4656 2.96951 GPRESSAVG: 2665400 50.0271 -78.8086 22.4143 -81.1332 -41.429 -35.728 22.9251 -36.972 2.80743 TIMING: 2665400 CPU: 8496.88, 0.00312243/step Wall: 8496.88, 0.00312243/step, 2.02489 hours remaining, 234.144531 MB of memory in use. ENERGY: 2665400 3893.7858 20538.9504 14408.3725 247.8099 -203235.9540 2477.5676 0.0000 0.0000 51916.0182 -109753.4497 298.3621 -161669.4679 -109390.2766 299.2627 26.6323 53.6375 760685.5238 3.7030 3.8019 PRESSURE: 2665600 -322.192 -0.205927 117.603 -0.206122 -234.138 -177.111 117.603 -177.112 -265.466 GPRESSURE: 2665600 -274.474 85.7494 113.536 -25.8514 -230.799 -118.05 241.922 -154.743 -231.922 PRESSAVG: 2665600 -4.67588 -52.7301 14.4343 -52.7302 8.54451 -29.3834 14.4343 -29.3834 7.34983 GPRESSAVG: 2665600 -5.13713 -54.0368 12.2925 -53.9606 7.34062 -29.433 15.1194 -27.6651 8.5772 TIMING: 2665600 CPU: 8497.51, 0.00313151/step Wall: 8497.51, 0.00313151/step, 2.03061 hours remaining, 234.343750 MB of memory in use. ENERGY: 2665600 3950.9158 20324.5693 14457.2941 250.6380 -202631.2800 1848.6462 0.0000 0.0000 52013.9093 -109785.3072 298.9247 -161799.2165 -109416.5493 298.7231 -273.9319 -245.7315 761170.4669 3.7395 3.5936 PRESSURE: 2665800 33.3211 -161.355 27.0907 -161.355 -449.321 192.561 27.0917 192.561 -280.448 GPRESSURE: 2665800 -76.4562 -88.088 131.702 -175.139 -353.669 112.588 -81.4924 105.963 -171.693 PRESSAVG: 2665800 60.8583 -21.0205 -36.1375 -21.0205 -56.414 -1.34622 -36.1376 -1.34626 7.74147 GPRESSAVG: 2665800 60.8447 -20.4267 -34.266 -19.4716 -55.5504 -3.42617 -37.4404 -3.48655 7.10556 TIMING: 2665800 CPU: 8498.13, 0.00313129/step Wall: 8498.13, 0.00313129/step, 2.03029 hours remaining, 234.343750 MB of memory in use. ENERGY: 2665800 3938.8686 20412.1105 14472.3592 233.7527 -203158.7828 2331.1414 0.0000 0.0000 52120.8408 -109649.7096 299.5392 -161770.5504 -109280.1635 298.8425 -232.1493 -200.6058 762012.8524 4.0619 4.1333 PRESSURE: 2666000 -491.963 145.266 97.7761 145.266 -118.844 -217.971 97.7762 -217.97 -157.734 GPRESSURE: 2666000 -316.263 108.705 200.4 28.093 -228.99 -147.444 -9.55279 -259.545 -124.93 PRESSAVG: 2666000 24.0509 -21.6305 11.5317 -21.6305 -64.2864 -10.5378 11.5317 -10.5378 -6.37666 GPRESSAVG: 2666000 25.5684 -21.5218 11.6031 -22.9965 -65.3836 -9.2763 10.7889 -8.40061 -6.89847 TIMING: 2666000 CPU: 8498.77, 0.00318566/step Wall: 8498.77, 0.00318566/step, 2.06537 hours remaining, 234.343750 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: 2666000 4043.5546 20450.6611 14433.2284 254.2452 -202929.3966 2245.6047 0.0000 0.0000 52096.9376 -109405.1651 299.4018 -161502.1027 -109044.3199 299.3683 -256.1804 -223.3941 761064.6920 -15.5374 -15.5712 PRESSURE: 2666200 -61.5095 -113.451 117.726 -113.451 -106.267 127.947 117.727 127.947 -260.198 GPRESSURE: 2666200 -13.0345 -76.1189 181.036 -130.665 -97.6384 152.787 202.607 107.738 -243.3 PRESSAVG: 2666200 95.9566 -24.9006 24.6246 -24.9007 -81.2966 12.3129 24.6245 12.3129 -5.31047 GPRESSAVG: 2666200 95.6409 -23.2252 21.0389 -23.85 -81.7665 12.4264 25.3447 11.5774 -4.31149 TIMING: 2666200 CPU: 8499.41, 0.00318552/step Wall: 8499.41, 0.00318552/step, 2.0651 hours remaining, 234.343750 MB of memory in use. ENERGY: 2666200 4095.4523 20487.6904 14429.8084 241.6745 -203256.3222 2466.8889 0.0000 0.0000 52242.9391 -109291.8687 300.2409 -161534.8078 -108935.6089 299.7762 -142.6583 -117.9909 761244.0739 3.1165 3.1876 PRESSURE: 2666400 -198.507 34.8125 -12.1798 34.8121 -530.417 324.597 -12.1793 324.598 -134.77 GPRESSURE: 2666400 -209.163 -81.0997 -159.172 71.3539 -454.856 308.515 94.1408 200.941 -114.551 PRESSAVG: 2666400 12.7493 -34.5901 -36.1682 -34.59 4.37665 33.2896 -36.1682 33.2897 -3.59467 GPRESSAVG: 2666400 11.5135 -37.0035 -35.1496 -34.8493 5.30372 34.8764 -35.8628 30.8013 -3.58297 TIMING: 2666400 CPU: 8500.04, 0.0031486/step Wall: 8500.04, 0.0031486/step, 2.04099 hours remaining, 234.343750 MB of memory in use. ENERGY: 2666400 4003.3601 20693.2598 14496.9902 228.7946 -203149.2656 2284.7921 0.0000 0.0000 52176.4373 -109265.6316 299.8587 -161442.0689 -108905.6164 300.2403 -287.8978 -259.5233 760670.1609 4.5104 4.4114 PRESSURE: 2666600 -208.113 -89.401 -44.8443 -89.4004 -93.1179 -170.086 -44.8451 -170.085 205.476 GPRESSURE: 2666600 -180.108 -21.0513 -19.3784 -132.492 -126.989 -171.864 40.3643 -61.5101 290.217 PRESSAVG: 2666600 2.95183 -28.6572 8.11714 -28.6572 -6.59475 30.0371 8.11719 30.0372 -6.38059 GPRESSAVG: 2666600 2.77937 -29.634 10.1346 -29.4517 -5.62534 28.2839 8.86491 32.0623 -7.07189 TIMING: 2666600 CPU: 8500.67, 0.00317882/step Wall: 8500.67, 0.00317882/step, 2.06041 hours remaining, 234.343750 MB of memory in use. ENERGY: 2666600 4028.5218 20491.7523 14459.8467 245.1111 -202970.4935 2156.3330 0.0000 0.0000 52352.4851 -109236.4435 300.8705 -161588.9286 -108876.7741 300.2304 -31.9180 -5.6268 760278.6111 -3.3412 -3.3060 PRESSURE: 2666800 -193.593 19.1288 -19.0685 19.1296 182.846 -62.4887 -19.0682 -62.4893 174.292 GPRESSURE: 2666800 -79.0938 9.67366 -92.6531 149.701 185.447 16.7436 63.104 -86.2626 157.85 PRESSAVG: 2666800 0.730838 -38.1733 10.8528 -38.1732 12.3183 -11.0029 10.8528 -11.0027 10.6231 GPRESSAVG: 2666800 1.89803 -35.4786 8.83258 -37.5823 11.6793 -8.90484 9.50948 -12.0982 10.7707 TIMING: 2666800 CPU: 8501.3, 0.00313287/step Wall: 8501.3, 0.00313287/step, 2.03045 hours remaining, 234.343750 MB of memory in use. ENERGY: 2666800 3902.9630 20496.9514 14480.8320 242.0324 -202960.7863 2355.4408 0.0000 0.0000 52311.9822 -109170.5844 300.6377 -161482.5666 -108801.5937 299.9830 54.5151 88.0678 759277.5449 7.8907 8.1160 PRESSURE: 2667000 121.358 30.089 -67.1094 30.0892 -116.77 159.527 -67.1086 159.527 -319.014 GPRESSURE: 2667000 123.953 61.1068 -56.4244 45.5788 -104.177 172.204 14.7831 178.229 -247.357 PRESSAVG: 2667000 -6.4888 -38.4435 -4.7723 -38.4435 -23.1013 0.0214163 -4.7723 0.0213504 -3.57749 GPRESSAVG: 2667000 -6.45778 -35.7124 -2.29657 -39.9905 -23.3407 -2.07772 -3.90817 1.58163 -3.20525 TIMING: 2667000 CPU: 8501.93, 0.00314364/step Wall: 8501.93, 0.00314364/step, 2.03725 hours remaining, 234.343750 MB of memory in use. ENERGY: 2667000 3940.1215 20614.4238 14487.9166 264.1161 -202990.2253 2337.1250 0.0000 0.0000 52194.0290 -109152.4931 299.9598 -161346.5222 -108792.3703 299.7910 -104.8084 -75.8606 760459.7329 -11.0559 -11.0013 PRESSURE: 2667200 -98.9437 -279.213 81.9943 -279.213 -399.793 -115.332 81.9953 -115.333 -623.113 GPRESSURE: 2667200 -102.447 -135.745 144.186 -216.421 -336.47 8.52477 122.377 -68.2362 -606.746 PRESSAVG: 2667200 50.7323 -73.0586 6.27184 -73.0586 -23.4693 -5.35877 6.27179 -5.35875 15.548 GPRESSAVG: 2667200 48.4516 -73.6326 6.25534 -72.9227 -21.3766 -3.76696 6.69516 -5.85726 15.4584 TIMING: 2667200 CPU: 8502.56, 0.00316017/step Wall: 8502.56, 0.00316017/step, 2.04779 hours remaining, 234.343750 MB of memory in use. ENERGY: 2667200 4027.2433 20527.3330 14429.8456 246.8742 -202961.2875 2204.2802 0.0000 0.0000 52366.3665 -109159.3447 300.9502 -161525.7113 -108784.9605 300.5019 -373.9499 -348.5545 759952.3889 14.2703 14.1778 PRESSURE: 2667400 -135.725 83.0411 80.0013 83.0411 140.584 -113.758 80.002 -113.758 74.3265 GPRESSURE: 2667400 -65.4516 -26.0938 87.5952 -3.00173 200.8 -133.192 10.8937 -165.7 18.8646 PRESSAVG: 2667400 29.2386 -9.93512 9.67852 -9.93508 0.35946 12.4609 9.67845 12.461 -0.808508 GPRESSAVG: 2667400 31.1897 -11.1526 8.08992 -10.6016 -1.8441 13.367 8.84931 11.7757 -1.13994 TIMING: 2667400 CPU: 8503.18, 0.00312285/step Wall: 8503.18, 0.00312285/step, 2.02343 hours remaining, 234.343750 MB of memory in use. ENERGY: 2667400 4007.9346 20567.3506 14484.0334 235.8458 -203090.7509 2414.0872 0.0000 0.0000 52242.4244 -109139.0749 300.2379 -161381.4993 -108769.0613 300.2261 26.3952 51.4043 759864.0247 9.5965 9.4019 PRESSURE: 2667600 150.045 -158.99 -238.004 -158.99 -24.848 -19.7907 -238.003 -19.7909 -102.781 GPRESSURE: 2667600 244.47 -223.673 -271.281 -199.075 -24.4486 -37.2999 -189.714 52.4198 -121.875 PRESSAVG: 2667600 -4.84369 5.89528 -68.4362 5.89523 8.51909 49.6573 -68.4363 49.6573 2.52416 GPRESSAVG: 2667600 -5.42931 4.6717 -67.7639 6.39337 10.0716 48.1874 -67.5419 51.5699 2.25441 TIMING: 2667600 CPU: 8503.82, 0.00317383/step Wall: 8503.82, 0.00317383/step, 2.05629 hours remaining, 234.343750 MB of memory in use. ENERGY: 2667600 3978.4626 20540.0826 14570.3409 230.8334 -203052.4259 2245.4440 0.0000 0.0000 51935.7974 -109551.4650 298.4757 -161487.2624 -109176.5411 299.7191 7.4722 32.7152 759548.3506 2.0665 2.2989 PRESSURE: 2667800 118.846 30.8593 316.057 30.859 -141.147 33.9058 316.057 33.9058 69.1008 GPRESSURE: 2667800 135.762 25.1049 306.257 137.449 -23.3754 26.2473 269.055 22.3386 31.3784 PRESSAVG: 2667800 -16.6023 -86.0938 -6.26698 -86.0938 18.7232 2.01264 -6.26696 2.01264 3.66939 GPRESSAVG: 2667800 -17.9362 -87.3903 -4.58454 -85.6933 19.7837 2.38098 -6.35618 0.550698 3.96705 TIMING: 2667800 CPU: 8504.45, 0.00314541/step Wall: 8504.45, 0.00314541/step, 2.0377 hours remaining, 234.343750 MB of memory in use. ENERGY: 2667800 3996.4435 20366.1630 14514.0548 258.3798 -203573.3594 2678.8795 0.0000 0.0000 52058.5111 -109700.9278 299.1810 -161759.4388 -109329.0946 298.9009 15.6000 47.9218 761220.5880 1.9301 1.9382 PRESSURE: 2668000 -203.419 -159.909 -33.061 -159.909 -194.854 119.001 -33.0612 119.002 -119.446 GPRESSURE: 2668000 -130.725 -115.006 -82.7307 -131.794 -131.002 79.7043 3.23064 102.408 -148.896 PRESSAVG: 2668000 22.8901 -40.9516 -20.7348 -40.9515 25.0361 -56.5167 -20.7349 -56.5167 19.2363 GPRESSAVG: 2668000 24.0881 -38.8843 -21.439 -38.1875 24.1313 -55.5374 -21.3871 -57.3606 19.3372 TIMING: 2668000 CPU: 8505.08, 0.00315023/step Wall: 8505.08, 0.00315023/step, 2.04065 hours remaining, 234.343750 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: 2668000 3991.5928 20434.9572 14477.5707 253.9059 -203315.2379 2306.3749 0.0000 0.0000 52282.4556 -109568.3807 300.4680 -161850.8363 -109194.2738 299.5971 -172.5730 -136.8740 761498.3475 22.3875 22.5189 PRESSURE: 2668200 -60.1346 -30.9805 119.219 -30.9801 254.633 388.207 119.219 388.207 -171.758 GPRESSURE: 2668200 87.6356 8.20257 161.824 68.7987 205.115 392.809 22.3278 328.946 -158.94 PRESSAVG: 2668200 41.1227 2.88684 -25.1588 2.88688 -51.93 23.6203 -25.1588 23.6203 2.45984 GPRESSAVG: 2668200 40.9622 2.25496 -25.589 2.87074 -52.3999 23.0484 -24.2192 24.9935 2.96884 TIMING: 2668200 CPU: 8505.71, 0.00314328/step Wall: 8505.71, 0.00314328/step, 2.03597 hours remaining, 234.343750 MB of memory in use. ENERGY: 2668200 4002.5559 20517.7263 14442.5836 227.6789 -203421.4552 2551.8555 0.0000 0.0000 52055.6696 -109623.3854 299.1646 -161679.0551 -109251.7553 299.4890 7.5803 44.6037 760949.5616 -2.7825 -2.8230 LDB: ============= START OF LOAD BALANCING ============== 8518.13 LDB: ============== END OF LOAD BALANCING =============== 8518.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8518.13 LDB: ============= START OF LOAD BALANCING ============== 8518.44 LDB: Largest compute 7038 load 0.034286 is 17.5% of average load 0.195415 LDB: Average compute 0.004388 is 2.2% of average load 0.195415 LDB: TIME 8518.45 LOAD: AVG 0.195415 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.051 MB LDB: TIME 8518.45 LOAD: AVG 0.195415 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.055 MB LDB: TIME 8518.45 LOAD: AVG 0.195415 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.055 MB LDB: ============== END OF LOAD BALANCING =============== 8518.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8518.45 PRESSURE: 2668400 -18.7251 -17.7796 58.9264 -17.7809 -108.696 148.424 58.9267 148.423 -191.369 GPRESSURE: 2668400 -16.3949 -128.28 101.732 152.613 45.1503 65.2729 31.1765 137.055 -266.016 PRESSAVG: 2668400 -6.77625 -25.4149 23.4599 -25.4149 -9.57504 -10.8412 23.4599 -10.8412 -14.749 GPRESSAVG: 2668400 -6.21342 -25.615 24.1254 -25.7257 -8.71537 -10.269 23.6194 -10.5542 -16.5127 TIMING: 2668400 CPU: 8506.35, 0.00320322/step Wall: 8506.35, 0.00320322/step, 2.07462 hours remaining, 235.417969 MB of memory in use. ENERGY: 2668400 3948.2369 20422.4875 14447.8013 247.5896 -203427.9055 2716.0431 0.0000 0.0000 51906.4785 -109739.2686 298.3072 -161645.7471 -109364.5940 298.7915 -106.2632 -79.0870 760757.7753 -10.3668 -10.4805 PRESSURE: 2668600 4.51785 121.633 79.1021 121.633 -104.11 86.0347 79.1027 86.0353 -194.946 GPRESSURE: 2668600 183.671 59.5646 90.7563 61.2081 -168.432 39.653 89.8131 122.774 -236.589 PRESSAVG: 2668600 15.8426 -26.1675 2.34172 -26.1675 -28.9278 6.87441 2.34167 6.87436 -7.7485 GPRESSAVG: 2668600 15.8785 -27.0896 2.37742 -27.0876 -30.6661 6.96052 1.49512 5.72398 -6.10808 TIMING: 2668600 CPU: 8506.98, 0.00316039/step Wall: 8506.98, 0.00316039/step, 2.04671 hours remaining, 235.621094 MB of memory in use. ENERGY: 2668600 3985.3189 20558.0051 14489.0365 263.9883 -203501.2285 2641.5370 0.0000 0.0000 51700.3979 -109862.9447 297.1229 -161563.3426 -109506.5888 298.7838 -98.1795 -73.7834 761872.6568 -6.9446 -6.9652 PRESSURE: 2668800 134.998 38.3808 -70.2144 38.3812 -169.912 -93.0931 -70.2146 -93.0929 -211.146 GPRESSURE: 2668800 123.416 -47.3225 -75.1169 75.0438 -154.111 -54.55 -102.728 11.0159 -112.356 PRESSAVG: 2668800 79.3563 -33.5433 16.0054 -33.5432 -21.5123 12.3952 16.0054 12.3952 -5.92528 GPRESSAVG: 2668800 78.3085 -32.5085 16.4797 -32.7722 -20.6758 10.7003 16.053 14.109 -5.93154 TIMING: 2668800 CPU: 8507.62, 0.00318877/step Wall: 8507.62, 0.00318877/step, 2.06491 hours remaining, 235.621094 MB of memory in use. ENERGY: 2668800 3955.3872 20550.2170 14469.8119 241.8633 -203595.5987 2383.2190 0.0000 0.0000 51980.4589 -110014.6413 298.7324 -161995.1003 -109649.1150 298.6567 -82.0201 -47.6837 759076.9608 17.3063 17.2337 PRESSURE: 2669000 271.593 220.35 326.215 220.351 -26.0922 -124.966 326.215 -124.966 422.368 GPRESSURE: 2669000 330.553 211.372 247.058 151.885 -17.7587 -143.805 278.316 -286.996 436.331 PRESSAVG: 2669000 2.31934 13.8266 14.6149 13.8266 -22.7692 21.0468 14.6149 21.0468 -2.30504 GPRESSAVG: 2669000 2.90954 15.5418 14.9193 12.3136 -22.8429 21.0951 13.49 20.5194 -2.50609 TIMING: 2669000 CPU: 8508.25, 0.00316399/step Wall: 8508.25, 0.00316399/step, 2.04868 hours remaining, 235.621094 MB of memory in use. ENERGY: 2669000 3838.3487 20513.9002 14532.2274 245.2790 -203504.3125 2432.7786 0.0000 0.0000 51952.4830 -109989.2955 298.5716 -161941.7786 -109622.4334 298.5286 222.6229 249.7085 760165.2130 -7.5850 -7.4798 PRESSURE: 2669200 144.815 -133.549 159.747 -133.549 -134.354 214.209 159.747 214.209 319.677 GPRESSURE: 2669200 146.299 -44.0266 150.056 -89.7924 22.9154 272.861 209.347 26.02 246.624 PRESSAVG: 2669200 36.3265 -48.8753 -18.9758 -48.8752 -58.6449 24.6834 -18.9759 24.6834 13.0867 GPRESSAVG: 2669200 36.1126 -51.4002 -20.4205 -48.5741 -58.25 26.6205 -17.5082 22.3886 12.8654 TIMING: 2669200 CPU: 8508.88, 0.00314047/step Wall: 8508.88, 0.00314047/step, 2.03328 hours remaining, 235.621094 MB of memory in use. ENERGY: 2669200 4017.2753 20492.8833 14491.8794 243.2289 -203571.6887 2471.8368 0.0000 0.0000 51883.2897 -109971.2952 298.1740 -161854.5850 -109605.8301 298.2348 110.0460 138.6125 758649.6743 -3.0772 -3.0907 PRESSURE: 2669400 108.674 149.5 94.056 149.5 231.616 195.27 94.0563 195.269 -36.4585 GPRESSURE: 2669400 161.912 131.828 112.926 155.091 190.099 215.422 140.478 319.432 25.3421 PRESSAVG: 2669400 16.0224 -20.6286 -0.470566 -20.6285 -22.5408 -2.72262 -0.470526 -2.72271 -15.2753 GPRESSAVG: 2669400 15.264 -19.6729 -1.29653 -22.1927 -22.4666 -3.62778 -1.28803 -0.799645 -14.5963 TIMING: 2669400 CPU: 8509.5, 0.00312742/step Wall: 8509.5, 0.00312742/step, 2.02466 hours remaining, 235.621094 MB of memory in use. ENERGY: 2669400 3953.4473 20547.3088 14450.5197 228.4113 -203364.0408 2424.6519 0.0000 0.0000 51927.0445 -109832.6573 298.4254 -161759.7018 -109476.5846 298.5228 101.2771 125.7845 758525.6288 -7.2646 -7.2663 PRESSURE: 2669600 -539.23 199.818 18.2376 199.817 -177.533 149.576 18.2375 149.576 127.04 GPRESSURE: 2669600 -393.537 226.899 3.62881 94.7835 -139.638 186.93 -47.4865 176.591 6.11811 PRESSAVG: 2669600 3.42571 12.0077 -1.74357 12.0077 -1.71362 25.2528 -1.74354 25.2527 6.52409 GPRESSAVG: 2669600 4.08373 13.2639 -0.607933 11.6982 -2.01356 23.9479 0.0096759 25.6 5.68343 TIMING: 2669600 CPU: 8510.13, 0.00315236/step Wall: 8510.13, 0.00315236/step, 2.04063 hours remaining, 235.621094 MB of memory in use. ENERGY: 2669600 3948.0566 20623.8464 14475.3588 257.0666 -203134.6895 2287.9303 0.0000 0.0000 52118.9897 -109423.4411 299.5286 -161542.4308 -109054.4191 298.9886 -196.5741 -175.6857 760077.1044 2.7454 2.5845 PRESSURE: 2669800 32.1265 -42.4456 -170.966 -42.4462 189.049 107.514 -170.967 107.514 138.809 GPRESSURE: 2669800 124.094 -156.518 -157.904 35.614 114.006 152.733 -242.369 2.00186 207.429 PRESSAVG: 2669800 -31.4128 -0.680083 1.66329 -0.680049 44.1243 24.5918 1.66328 24.5919 -14.5472 GPRESSAVG: 2669800 -31.2433 -1.99233 0.741683 1.30007 43.5771 25.714 0.293736 23.9588 -13.7354 TIMING: 2669800 CPU: 8510.77, 0.00316968/step Wall: 8510.77, 0.00316968/step, 2.05167 hours remaining, 235.621094 MB of memory in use. ENERGY: 2669800 3944.7740 20567.4179 14484.1299 255.9847 -203305.5766 2366.9087 0.0000 0.0000 52206.7793 -109479.5820 300.0331 -161686.3613 -109114.7399 299.5678 119.9948 148.5098 759672.8223 -0.6119 -0.4672 PRESSURE: 2670000 -200.75 407.677 -7.03066 407.678 -160.691 -126.973 -7.03082 -126.97 -425.71 GPRESSURE: 2670000 5.99157 290.752 49.9477 265.845 -243.638 -214.412 -45.1875 -106.14 -469.69 PRESSAVG: 2670000 -2.2602 50.0193 -47.6037 50.0192 13.9213 20.9787 -47.6037 20.9788 1.6149 GPRESSAVG: 2670000 -1.14195 49.1728 -45.6529 49.6803 13.6409 21.5615 -46.4652 20.7036 1.19892 TIMING: 2670000 CPU: 8511.4, 0.00315609/step Wall: 8511.4, 0.00315609/step, 2.04269 hours remaining, 235.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 3991.5427 20669.7450 14531.3482 265.5716 -203139.6932 2454.7653 0.0000 0.0000 52071.9740 -109154.7466 299.2584 -161226.7205 -108797.1234 299.9231 -262.3838 -235.7789 761271.4501 4.4253 4.5660 PRESSURE: 2670200 39.0767 147.37 -120.564 147.37 -177.967 182.355 -120.563 182.355 -190.49 GPRESSURE: 2670200 23.4357 69.3933 -86.4973 178.661 -98.2021 159.577 -8.54624 131.492 -188.717 PRESSAVG: 2670200 16.6764 21.7747 -7.20914 21.7746 -17.4235 22.7561 -7.20909 22.7561 14.5985 GPRESSAVG: 2670200 15.3908 21.9489 -7.61951 22.6032 -16.2679 22.7858 -6.69612 23.2107 14.3863 TIMING: 2670200 CPU: 8512.03, 0.00315586/step Wall: 8512.03, 0.00315586/step, 2.04237 hours remaining, 235.621094 MB of memory in use. ENERGY: 2670200 4053.4887 20405.2156 14522.9788 238.7037 -203283.3363 2510.8231 0.0000 0.0000 52165.3410 -109386.7853 299.7949 -161552.1264 -109024.1404 299.9781 -109.7934 -87.8277 760985.4944 4.6171 4.5031 PRESSURE: 2670400 -176.555 -175.17 -158.854 -175.169 -127.173 27.371 -158.853 27.3697 -140.753 GPRESSURE: 2670400 -137.853 -86.5409 -129.525 -186.973 -85.8042 15.6101 -175.498 93.7254 -148.776 PRESSAVG: 2670400 -5.10879 34.5157 -13.0849 34.5158 -0.276859 30.373 -13.0848 30.373 -8.19144 GPRESSAVG: 2670400 -5.42267 35.6466 -11.6614 33.439 -0.496803 30.0035 -15.7247 29.0157 -7.29321 TIMING: 2670400 CPU: 8512.67, 0.00318007/step Wall: 8512.67, 0.00318007/step, 2.05786 hours remaining, 235.621094 MB of memory in use. ENERGY: 2670400 3973.5467 20555.2189 14468.6883 235.3211 -203340.0547 2447.4342 0.0000 0.0000 52212.4488 -109447.3967 300.0657 -161659.8455 -109084.3718 299.7999 -148.1602 -124.1444 760925.0892 -4.5257 -4.4042 PRESSURE: 2670600 81.6569 -108.353 30.7804 -108.353 212.573 -197.133 30.7798 -197.133 -132.385 GPRESSURE: 2670600 231.112 -46.5286 51.9827 -57.7397 125.169 -141.678 -52.7088 -21.2671 -109.908 PRESSAVG: 2670600 24.1958 -57.8812 35.8135 -57.8812 -13.4458 0.45257 35.8135 0.452532 -7.85031 GPRESSAVG: 2670600 23.9451 -59.0116 34.2875 -55.9252 -13.4281 1.97738 35.4185 1.00671 -7.89851 TIMING: 2670600 CPU: 8513.3, 0.00316469/step Wall: 8513.3, 0.00316469/step, 2.04773 hours remaining, 235.621094 MB of memory in use. ENERGY: 2670600 3949.8511 20555.5248 14408.8782 246.4849 -203020.1903 2244.7478 0.0000 0.0000 52127.5514 -109487.1522 299.5778 -161614.7036 -109127.9995 300.1039 53.9481 82.1240 759833.8648 0.9666 0.8728 PRESSURE: 2670800 -22.2165 -105.308 -16.686 -105.308 67.0357 48.8233 -16.686 48.8232 265.752 GPRESSURE: 2670800 -8.46003 -98.5112 -11.3499 -108.265 181.246 -36.1588 83.2331 185.939 231.918 PRESSAVG: 2670800 56.9693 -9.39362 24.1445 -9.39359 -62.5352 83.447 24.1444 83.4469 -3.27295 GPRESSAVG: 2670800 57.8875 -8.41106 25.4879 -9.83521 -62.9852 84.2061 24.525 86.011 -3.42465 TIMING: 2670800 CPU: 8513.93, 0.00314612/step Wall: 8513.93, 0.00314612/step, 2.03554 hours remaining, 235.621094 MB of memory in use. ENERGY: 2670800 4033.0722 20587.6644 14484.6066 235.5625 -203298.3462 2631.5722 0.0000 0.0000 52092.5236 -109233.3447 299.3764 -161325.8684 -108873.7163 299.7928 103.5237 134.9013 760140.8293 -2.9463 -2.8408 PRESSURE: 2671000 -185.124 75.383 25.672 75.3825 83.5595 60.4588 25.6709 60.4584 -238.709 GPRESSURE: 2671000 -133.734 141.796 18.7143 119.729 63.8003 55.5103 42.2754 24.9243 -183.42 PRESSAVG: 2671000 7.97873 -2.24794 -8.50943 -2.24791 32.3745 83.4678 -8.5094 83.4678 4.01412 GPRESSAVG: 2671000 8.2678 -1.63474 -8.78641 -2.38784 31.8467 82.8647 -8.66649 82.1753 3.82539 TIMING: 2671000 CPU: 8514.56, 0.00313795/step Wall: 8514.56, 0.00313795/step, 2.03008 hours remaining, 235.621094 MB of memory in use. ENERGY: 2671000 4034.1802 20672.2714 14461.8465 253.3250 -203423.5513 2461.5046 0.0000 0.0000 52238.8360 -109301.5875 300.2173 -161540.4235 -108943.0287 300.1576 -113.4243 -84.4511 757859.0636 14.7891 14.6466 PRESSURE: 2671200 -230.624 26.8799 -103.017 26.8792 -268.996 -18.7428 -103.018 -18.7424 -94.8837 GPRESSURE: 2671200 -242.101 -139.891 -180.096 -51.3905 -125.881 -112.122 36.495 100.645 -116.166 PRESSAVG: 2671200 54.6395 4.36937 -57.6344 4.36939 -49.4711 21.1702 -57.6345 21.1701 18.9647 GPRESSAVG: 2671200 53.2062 4.31719 -58.2242 3.31098 -47.6955 20.5051 -56.3997 21.4059 19.2744 TIMING: 2671200 CPU: 8515.19, 0.00315964/step Wall: 8515.19, 0.00315964/step, 2.04394 hours remaining, 235.621094 MB of memory in use. ENERGY: 2671200 3983.4248 20356.8683 14485.5956 257.6077 -202984.4825 2214.9553 0.0000 0.0000 52477.0623 -109208.9685 301.5864 -161686.0308 -108832.1231 300.3922 -198.1680 -161.3826 759669.8302 8.0444 8.2617 PRESSURE: 2671400 19.4545 113.075 176.605 113.076 357.355 90.1029 176.605 90.1033 957.195 GPRESSURE: 2671400 94.3899 178.535 224.989 113.812 377.513 58.738 6.73786 95.1288 950.751 PRESSAVG: 2671400 16.5664 -45.0106 -28.9613 -45.0106 20.927 -27.9539 -28.9613 -27.954 26.0164 GPRESSAVG: 2671400 17.5969 -44.4144 -30.3944 -44.9875 20.0304 -28.0887 -27.7765 -28.456 25.9081 TIMING: 2671400 CPU: 8515.82, 0.00316137/step Wall: 8515.82, 0.00316137/step, 2.04488 hours remaining, 235.621094 MB of memory in use. ENERGY: 2671400 3968.8123 20711.1308 14551.6143 246.6761 -203401.1120 2754.3036 0.0000 0.0000 52117.9606 -109050.6143 299.5226 -161168.5749 -108689.2493 300.2300 444.6682 474.2179 758736.5610 21.1699 21.1785 PRESSURE: 2671600 33.5302 -28.974 -76.4476 -28.9742 -143.461 28.7851 -76.4481 28.7852 -281.927 GPRESSURE: 2671600 -1.36898 43.3103 -39.7763 4.00558 -105.316 118.149 14.4061 19.3571 -201.305 PRESSAVG: 2671600 59.9728 -46.695 -0.863673 -46.6951 -9.27652 43.9749 -0.863735 43.975 18.0172 GPRESSAVG: 2671600 60.5673 -45.897 0.64241 -46.5469 -8.86367 43.4267 -2.67433 44.1481 17.2395 TIMING: 2671600 CPU: 8516.45, 0.00314877/step Wall: 8516.45, 0.00314877/step, 2.03656 hours remaining, 235.621094 MB of memory in use. ENERGY: 2671600 4034.7176 20612.1009 14477.5945 239.2639 -203233.2045 2323.0762 0.0000 0.0000 52600.5717 -108945.8796 302.2962 -161546.4513 -108585.0674 300.5162 -130.6193 -102.6633 760321.0481 22.9045 22.9811 PRESSURE: 2671800 -281.465 -40.3562 -149.976 -40.357 -105.842 164.052 -149.976 164.053 113.027 GPRESSURE: 2671800 -246.633 -57.9318 -194.858 -49.7446 -43.2586 215.091 -27.6291 109.675 99.6069 PRESSAVG: 2671800 -14.5732 -32.0694 18.4619 -32.0694 18.0971 25.5462 18.4619 25.5462 4.59818 GPRESSAVG: 2671800 -14.7556 -35.6433 18.4137 -29.3954 18.2676 27.5178 18.5946 24.5561 4.01869 TIMING: 2671800 CPU: 8517.08, 0.00312631/step Wall: 8517.08, 0.00312631/step, 2.02186 hours remaining, 235.621094 MB of memory in use. ENERGY: 2671800 3996.0434 20690.7006 14516.1708 229.0513 -203057.9812 2371.9007 0.0000 0.0000 52169.9847 -109084.1296 299.8216 -161254.1143 -108722.6243 300.3378 -91.4266 -63.4282 760576.2959 2.7074 2.5102 PRESSURE: 2672000 -152.809 -26.6188 -34.4259 -26.6195 -231.454 118.977 -34.426 118.977 225.093 GPRESSURE: 2672000 -18.7984 -117.23 -77.2871 33.9924 -289.775 60.5606 -68.5499 65.144 229.833 PRESSAVG: 2672000 50.1881 -4.60941 29.035 -4.60938 -32.1381 58.5962 29.035 58.5963 23.5512 GPRESSAVG: 2672000 49.4057 -3.22049 28.5034 -6.31902 -31.7845 57.376 27.9285 61.5593 23.5903 TIMING: 2672000 CPU: 8517.7, 0.00311707/step Wall: 8517.7, 0.00311707/step, 2.0157 hours remaining, 235.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 4046.3969 20357.6162 14500.3714 259.0900 -203249.9173 2376.9077 0.0000 0.0000 52602.4296 -109107.1055 302.3069 -161709.5351 -108737.1298 300.3162 -53.0565 -26.2469 760391.9920 13.8671 13.7371 PRESSURE: 2672200 -125.268 -32.5491 27.7243 -32.5485 -260.581 400.297 27.7232 400.296 -675.952 GPRESSURE: 2672200 -98.159 81.4506 44.1151 -40.4595 -235.194 484.535 103.415 457.923 -643.913 PRESSAVG: 2672200 36.2753 6.27492 -4.74236 6.27488 -34.2131 27.5303 -4.74236 27.5303 21.1945 GPRESSAVG: 2672200 36.964 5.70058 -4.67693 6.48453 -36.1395 27.852 -2.663 23.9571 22.7108 TIMING: 2672200 CPU: 8518.33, 0.00313085/step Wall: 8518.33, 0.00313085/step, 2.02444 hours remaining, 235.621094 MB of memory in use. ENERGY: 2672200 4046.9280 20457.9278 14494.3871 266.8266 -202726.1007 2049.1364 0.0000 0.0000 52189.2264 -109221.6683 299.9322 -161410.8947 -108849.8923 300.5363 -353.9334 -325.7555 761614.0833 7.7522 7.8451 LDB: ============= START OF LOAD BALANCING ============== 8530.75 LDB: ============== END OF LOAD BALANCING =============== 8530.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8530.75 LDB: ============= START OF LOAD BALANCING ============== 8531.06 LDB: Largest compute 7038 load 0.033615 is 17.2% of average load 0.195411 LDB: Average compute 0.004405 is 2.3% of average load 0.195411 LDB: TIME 8531.07 LOAD: AVG 0.195411 MAX 0.217184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.676 MB LDB: TIME 8531.07 LOAD: AVG 0.195411 MAX 0.217184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.676 MB LDB: TIME 8531.07 LOAD: AVG 0.195411 MAX 0.217184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.676 MB LDB: ============== END OF LOAD BALANCING =============== 8531.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8531.08 PRESSURE: 2672400 -42.4264 72.5691 30.1153 72.5685 122.177 271.756 30.1146 271.755 277.658 GPRESSURE: 2672400 105.468 74.058 79.4047 199.429 137.87 191.288 -82.826 226.606 216.066 PRESSAVG: 2672400 15.0395 -23.2801 -16.6555 -23.2801 -65.0539 31.1045 -16.6555 31.1044 5.24834 GPRESSAVG: 2672400 15.8178 -22.4427 -15.3214 -22.3984 -64.4771 29.9832 -18.6733 32.2164 4.40013 TIMING: 2672400 CPU: 8518.97, 0.00321858/step Wall: 8518.97, 0.00321858/step, 2.08099 hours remaining, 234.007812 MB of memory in use. ENERGY: 2672400 4042.8406 20636.9908 14498.4798 243.1548 -203541.6705 2544.6230 0.0000 0.0000 52421.1666 -109154.4148 301.2652 -161575.5814 -108789.8389 300.4667 119.1364 153.1345 759395.8534 -14.9220 -14.7531 PRESSURE: 2672600 145.777 -66.512 48.8128 -66.5126 79.9689 2.17879 48.8122 2.17938 -566.512 GPRESSURE: 2672600 208.214 -135.513 30.2546 -142.811 47.0361 -48.4885 50.7003 -161.022 -512.254 PRESSAVG: 2672600 -23.6613 -5.15467 21.3243 -5.15469 -4.93196 -18.4164 21.3244 -18.4163 -12.9277 GPRESSAVG: 2672600 -23.9191 -5.26282 19.4186 -5.78216 -5.04554 -17.7264 21.3726 -16.7377 -12.9299 TIMING: 2672600 CPU: 8519.6, 0.00317373/step Wall: 8519.6, 0.00317373/step, 2.05182 hours remaining, 234.660156 MB of memory in use. ENERGY: 2672600 4062.4020 20541.7116 14530.6681 248.8457 -203407.0914 2589.2928 0.0000 0.0000 52291.4670 -109142.7041 300.5198 -161434.1711 -108778.5376 300.4794 -113.5885 -85.6678 759884.3414 -13.8403 -13.9649 PRESSURE: 2672800 16.6959 269.648 -40.8756 269.648 -107.303 -2.26228 -40.8765 -2.26185 76.2362 GPRESSURE: 2672800 59.3896 214.16 14.6784 194.975 12.2237 -33.3876 77.5552 34.1172 0.487696 PRESSAVG: 2672800 5.15861 -2.06587 16.4853 -2.06582 20.9047 -26.2582 16.4853 -26.258 39.0476 GPRESSAVG: 2672800 3.18112 -1.71789 16.3266 -2.21253 22.7854 -23.6639 17.0346 -27.1699 39.1275 TIMING: 2672800 CPU: 8520.23, 0.00314975/step Wall: 8520.23, 0.00314975/step, 2.03614 hours remaining, 234.660156 MB of memory in use. ENERGY: 2672800 3919.2826 20537.1426 14527.7288 257.4929 -203376.1062 2412.1249 0.0000 0.0000 52243.3265 -109479.0078 300.2431 -161722.3343 -109111.4365 300.2691 -4.7904 24.0337 760055.5424 21.7036 21.6980 PRESSURE: 2673000 205.939 -33.689 60.9539 -33.6883 -376.062 102.363 60.9544 102.363 42.497 GPRESSURE: 2673000 128.9 -126.887 -57.8019 44.8585 -212.309 11.8783 205.303 191.746 25.1466 PRESSAVG: 2673000 14.8176 11.1007 -15.6373 11.1007 -22.0674 47.9454 -15.6373 47.9454 17.7181 GPRESSAVG: 2673000 15.2933 11.2872 -14.9953 10.5349 -22.5588 45.3225 -15.2862 48.4199 17.2957 TIMING: 2673000 CPU: 8520.86, 0.00314514/step Wall: 8520.86, 0.00314514/step, 2.03298 hours remaining, 234.660156 MB of memory in use. ENERGY: 2673000 3960.6270 20628.5839 14510.7567 251.6012 -203248.0929 2189.5789 0.0000 0.0000 51929.1607 -109777.7845 298.4376 -161706.9452 -109416.4559 299.5201 -42.5418 -19.4207 760627.8669 3.4894 3.3434 PRESSURE: 2673200 -64.6297 -20.7558 168.882 -20.7567 105.186 -181.031 168.881 -181.031 -311.958 GPRESSURE: 2673200 -29.0145 -35.9382 96.5529 12.6496 117.117 -156.523 70.7138 -105.375 -264.694 PRESSAVG: 2673200 25.6702 19.0204 2.00724 19.0204 8.30243 14.7675 2.00724 14.7675 -4.71367 GPRESSAVG: 2673200 26.8057 16.915 3.4522 20.1335 7.85514 15.0885 1.86958 15.191 -5.06441 TIMING: 2673200 CPU: 8521.49, 0.0031586/step Wall: 8521.49, 0.0031586/step, 2.04151 hours remaining, 234.660156 MB of memory in use. ENERGY: 2673200 4020.4890 20391.4323 14430.3430 259.3101 -203492.0894 2385.8967 0.0000 0.0000 52138.0934 -109866.5249 299.6383 -162004.6183 -109510.8881 299.3488 -90.4673 -58.8639 759888.7930 9.7530 9.8655 PRESSURE: 2673400 -572.428 -166.024 -17.178 -166.024 -76.1061 143.975 -17.1779 143.975 -514.654 GPRESSURE: 2673400 -547.532 -146.414 -17.516 -120.34 -98.6877 65.3714 -62.9927 139.927 -435.119 PRESSAVG: 2673400 -6.50704 -22.0307 24.6439 -22.0307 35.4945 9.23693 24.6438 9.2369 24.9197 GPRESSAVG: 2673400 -6.54462 -20.2656 24.4362 -23.9178 34.5941 9.4935 24.5778 6.5466 25.2796 TIMING: 2673400 CPU: 8522.13, 0.00315993/step Wall: 8522.13, 0.00315993/step, 2.04219 hours remaining, 234.660156 MB of memory in use. ENERGY: 2673400 4016.7756 20518.6394 14431.6862 226.1592 -203696.9887 2588.5531 0.0000 0.0000 52105.4892 -109809.6859 299.4510 -161915.1751 -109443.9582 298.9865 -387.7294 -360.4462 760678.6018 17.9691 17.7764 PRESSURE: 2673600 560.366 -94.4981 -164.348 -94.4994 217.717 85.5257 -164.348 85.5251 368.726 GPRESSURE: 2673600 528.426 23.6546 -211.804 -53.4981 291.576 198.606 -160.658 96.8292 402.403 PRESSAVG: 2673600 54.2647 -29.6394 -3.95395 -29.6394 -30.2272 35.7063 -3.95389 35.7062 -3.81046 GPRESSAVG: 2673600 51.5411 -29.1309 -4.07194 -28.914 -28.9851 34.7045 -3.26094 37.8234 -2.77194 TIMING: 2673600 CPU: 8522.76, 0.00314312/step Wall: 8522.76, 0.00314312/step, 2.03115 hours remaining, 234.660156 MB of memory in use. ENERGY: 2673600 3968.5074 20514.9127 14436.8458 245.1608 -203594.8249 2656.7114 0.0000 0.0000 52041.3473 -109731.3396 299.0823 -161772.6869 -109373.0007 299.0957 382.2697 407.4682 759109.0625 6.7423 6.5947 PRESSURE: 2673800 -57.4358 -180.58 -100.983 -180.58 168.39 -101.669 -100.983 -101.668 271.143 GPRESSURE: 2673800 -30.0181 -246.5 -79.7629 -233.573 184.952 -43.2196 -16.3833 -139.357 325.376 PRESSAVG: 2673800 -0.1089 -54.8592 -39.7725 -54.8592 -5.37237 3.71178 -39.7726 3.71182 6.43 GPRESSAVG: 2673800 1.46362 -55.2596 -39.0565 -55.3004 -6.18948 5.66542 -40.6819 1.83615 5.79458 TIMING: 2673800 CPU: 8523.38, 0.00314716/step Wall: 8523.38, 0.00314716/step, 2.03359 hours remaining, 234.660156 MB of memory in use. ENERGY: 2673800 3998.7588 20504.2833 14385.2842 275.4076 -203170.3940 2154.3052 0.0000 0.0000 52066.7205 -109785.6344 299.2282 -161852.3549 -109431.2042 298.9711 127.3656 160.1035 758776.8247 0.3162 0.3562 PRESSURE: 2674000 120.397 -28.9234 130.964 -28.9232 125.481 -218.889 130.963 -218.888 -138.887 GPRESSURE: 2674000 206.359 -63.575 181.637 50.6121 94.5972 -201.144 149.701 -120.134 -96.5599 PRESSAVG: 2674000 -56.4812 -44.2146 -6.76764 -44.2147 66.8214 -42.4836 -6.76761 -42.4836 8.00212 GPRESSAVG: 2674000 -56.088 -45.3044 -8.33733 -43.3564 66.848 -43.7798 -2.87242 -43.6222 7.56778 TIMING: 2674000 CPU: 8524.02, 0.00315237/step Wall: 8524.02, 0.00315237/step, 2.03678 hours remaining, 234.660156 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: 2674000 3969.5594 20591.8953 14478.5821 223.5157 -203173.8589 2477.9528 0.0000 0.0000 51992.8414 -109439.5122 298.8036 -161432.3536 -109074.7087 298.7997 35.6638 68.1320 761582.8719 6.1141 6.1093 PRESSURE: 2674200 -132.941 36.1297 -146.329 36.1292 -397.098 151.139 -146.33 151.139 -198.682 GPRESSURE: 2674200 -117.808 -12.9135 -161.59 -34.9664 -364.289 212.097 -217.884 114.927 -147.735 PRESSAVG: 2674200 55.8376 -12.3108 31.4321 -12.3109 -60.9234 -29.8741 31.4321 -29.8741 -7.66867 GPRESSAVG: 2674200 55.0745 -12.058 32.1084 -11.78 -60.7437 -29.8562 27.9791 -25.6622 -7.0719 TIMING: 2674200 CPU: 8524.65, 0.0031704/step Wall: 8524.65, 0.0031704/step, 2.04826 hours remaining, 234.660156 MB of memory in use. ENERGY: 2674200 3983.0080 20331.8822 14521.9670 260.3534 -202996.9460 2099.5592 0.0000 0.0000 52031.2064 -109768.9698 299.0241 -161800.1761 -109404.9639 298.8667 -242.9070 -209.9439 761532.4151 -4.2515 -4.2470 PRESSURE: 2674400 -207.64 -22.3895 56.1641 -22.3896 -271.726 -107.495 56.1642 -107.496 139.808 GPRESSURE: 2674400 -171.527 -5.54152 77.316 -11.9533 -219.714 -178.437 28.7893 -227.247 141.83 PRESSAVG: 2674400 36.0307 -32.8943 8.15482 -32.8942 -8.04667 36.3965 8.15482 36.3965 25.0816 GPRESSAVG: 2674400 36.0698 -33.9718 9.69167 -33.4546 -8.023 37.0632 8.30246 32.8441 25.2797 TIMING: 2674400 CPU: 8525.29, 0.0031796/step Wall: 8525.29, 0.0031796/step, 2.05402 hours remaining, 234.671875 MB of memory in use. ENERGY: 2674400 3955.5608 20537.5432 14454.4504 260.0445 -203422.7440 2428.3536 0.0000 0.0000 52117.3236 -109669.4678 299.5190 -161786.7914 -109309.0907 298.6665 -113.1859 -83.1371 762049.1452 17.6885 17.7755 PRESSURE: 2674600 -210.025 118.87 38.9965 118.87 -397.03 22.9657 38.9972 22.966 -286.238 GPRESSURE: 2674600 -194.186 213.108 73.556 44.7769 -353.745 22.0979 -74.7848 -11.2924 -256.867 PRESSAVG: 2674600 12.7885 -17.5035 -28.4426 -17.5034 -0.211513 -32.6635 -28.4426 -32.6634 3.56185 GPRESSAVG: 2674600 12.6634 -15.5336 -29.0037 -18.3302 1.05026 -34.5065 -28.5081 -31.1456 2.93619 TIMING: 2674600 CPU: 8525.92, 0.00317607/step Wall: 8525.92, 0.00317608/step, 2.05157 hours remaining, 234.671875 MB of memory in use. ENERGY: 2674600 3963.5051 20528.2500 14474.3701 274.7684 -203430.2585 2285.5004 0.0000 0.0000 52118.5446 -109785.3199 299.5260 -161903.8645 -109423.6148 299.1160 -297.7643 -268.2660 760595.9074 5.3796 5.5499 PRESSURE: 2674800 -38.8815 -161.529 -54.2481 -161.529 -59.2956 -112.347 -54.2487 -112.347 -311.674 GPRESSURE: 2674800 -45.1647 -152.054 -12.5949 -145.612 -68.4953 -161.085 -70.8503 -170.104 -211.296 PRESSAVG: 2674800 -28.5677 -68.6042 -24.5016 -68.6042 13.4816 -29.4435 -24.5017 -29.4434 15.3857 GPRESSAVG: 2674800 -27.6038 -66.5443 -25.4791 -69.9643 12.6674 -29.7176 -24.3473 -29.9321 14.662 TIMING: 2674800 CPU: 8526.56, 0.00318052/step Wall: 8526.56, 0.00318052/step, 2.05426 hours remaining, 234.671875 MB of memory in use. ENERGY: 2674800 4001.6979 20582.2485 14543.6201 253.2586 -203612.3736 2236.8647 0.0000 0.0000 51826.8910 -110167.7927 297.8499 -161994.6837 -109806.1528 298.4102 -136.6170 -108.3187 760143.7454 0.0999 -0.0915 PRESSURE: 2675000 -8.43547 -63.0986 -215.486 -63.0985 -19.0342 93.1447 -215.486 93.1448 342.739 GPRESSURE: 2675000 57.8367 -21.4727 -145.381 -136.854 31.5809 143.938 -83.7433 131.938 298.894 PRESSAVG: 2675000 40.203 -15.2029 0.22164 -15.203 -39.4084 21.8725 0.221658 21.8724 -20.3058 GPRESSAVG: 2675000 39.7451 -17.103 1.76456 -14.6683 -40.2501 22.0845 -1.21358 23.3212 -19.3093 TIMING: 2675000 CPU: 8527.19, 0.0031713/step Wall: 8527.19, 0.0031713/step, 2.04813 hours remaining, 234.671875 MB of memory in use. ENERGY: 2675000 3991.4448 20533.3519 14429.2634 256.0022 -203903.4535 2667.4573 0.0000 0.0000 51929.6112 -110096.3227 298.4402 -162025.9339 -109738.2812 298.8384 105.0898 129.4373 760089.9049 -6.5037 -6.6048 PRESSURE: 2675200 -194.566 2.49614 217.828 2.49578 -361.672 -172.644 217.826 -172.644 84.5004 GPRESSURE: 2675200 -115.573 15.8276 167.146 -23.1118 -389.828 -209.262 286.167 -129.218 117.787 PRESSAVG: 2675200 -11.955 -40.2383 13.0259 -40.2383 -75.7039 42.8917 13.0259 42.8917 21.5584 GPRESSAVG: 2675200 -13.5864 -41.7502 12.1978 -38.0937 -74.6037 42.8455 13.8249 43.3184 21.9652 TIMING: 2675200 CPU: 8527.82, 0.00315848/step Wall: 8527.82, 0.00315848/step, 2.03967 hours remaining, 234.671875 MB of memory in use. ENERGY: 2675200 3959.6391 20481.6002 14458.5146 237.4046 -203759.5801 2561.2121 0.0000 0.0000 51890.9555 -110170.2539 298.2180 -162061.2094 -109803.6341 297.8835 -157.2457 -129.2048 760111.6829 -22.0335 -22.0749 PRESSURE: 2675400 110.185 149.689 88.541 149.69 -713.246 -274.287 88.5416 -274.286 75.0592 GPRESSURE: 2675400 66.8222 117.457 111.182 56.2706 -677.491 -268.32 8.86258 -252.943 181.984 PRESSAVG: 2675400 9.61675 14.3572 -49.2979 14.3573 -11.2376 -40.5801 -49.2979 -40.58 -12.9 GPRESSAVG: 2675400 11.1325 16.6454 -50.0915 13.5246 -12.888 -38.6522 -48.2908 -42.6037 -13.2294 TIMING: 2675400 CPU: 8528.46, 0.00317996/step Wall: 8528.46, 0.00317996/step, 2.05337 hours remaining, 234.671875 MB of memory in use. ENERGY: 2675400 4036.6947 20598.8721 14485.9662 249.9427 -203916.7743 2527.9209 0.0000 0.0000 51849.1988 -110168.1789 297.9781 -162017.3777 -109809.0157 297.1903 -176.0005 -142.8950 760583.7237 -4.8403 -4.9950 PRESSURE: 2675600 155.672 86.079 -312.321 86.0782 -90.6476 -147.456 -312.32 -147.455 208.114 GPRESSURE: 2675600 230.12 -24.9335 -247.165 139.253 -35.4081 -63.7623 -239.47 -179.749 171.055 PRESSAVG: 2675600 -10.7829 -12.1573 -35.1939 -12.1574 -3.42791 7.23087 -35.194 7.23097 -25.3661 GPRESSAVG: 2675600 -12.0283 -12.8815 -35.0679 -11.7606 -2.66019 7.59364 -33.6774 5.3891 -24.874 TIMING: 2675600 CPU: 8529.1, 0.00318548/step Wall: 8529.1, 0.00318548/step, 2.05676 hours remaining, 234.671875 MB of memory in use. ENERGY: 2675600 3998.1535 20448.5924 14478.2096 235.8052 -203771.8069 2682.9365 0.0000 0.0000 51761.3452 -110166.7645 297.4732 -161928.1097 -109802.1391 297.7664 91.0461 121.9224 759140.6516 -13.1923 -13.1875 PRESSURE: 2675800 63.3934 -190.518 -25.5852 -190.518 49.2183 73.9596 -25.5845 73.9594 165.04 GPRESSURE: 2675800 82.4167 -243.162 -83.948 -205.918 58.873 -63.1538 -3.92018 234.774 206.526 PRESSAVG: 2675800 55.0711 -21.5985 -22.8648 -21.5986 -25.3832 10.5128 -22.8648 10.5127 5.93236 GPRESSAVG: 2675800 56.6007 -21.2962 -24.125 -19.5808 -26.6798 8.88396 -24.0741 12.9714 5.37976 TIMING: 2675800 CPU: 8529.73, 0.00317973/step Wall: 8529.73, 0.00317973/step, 2.05287 hours remaining, 234.671875 MB of memory in use. ENERGY: 2675800 3936.3814 20362.8010 14448.8620 240.3552 -203933.7655 2572.9262 0.0000 0.0000 52202.0608 -110170.3788 300.0060 -162372.4396 -109789.3631 298.0267 92.5506 115.9386 759095.7808 11.8734 11.7669 PRESSURE: 2676000 267.09 29.545 -142.008 29.545 -337.038 4.85384 -142.008 4.85396 -69.0061 GPRESSURE: 2676000 271.358 149.227 -78.6253 41.2988 -257.871 -12.4019 -115.315 38.0492 -46.6655 PRESSAVG: 2676000 22.5357 -16.5029 -10.6432 -16.5029 -38.3937 104.483 -10.6432 104.483 -25.1947 GPRESSAVG: 2676000 22.2117 -16.9601 -10.2948 -19.7091 -38.2539 103.854 -11.1223 105.081 -24.8526 TIMING: 2676000 CPU: 8530.37, 0.00319769/step Wall: 8530.37, 0.00319769/step, 2.06428 hours remaining, 234.671875 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: 2676000 3982.3712 20662.0418 14488.6579 230.5164 -203748.4359 2577.7634 0.0000 0.0000 51732.7116 -110074.3737 297.3086 -161807.0853 -109726.6864 298.0045 -46.3182 -11.0593 758465.8639 -13.6842 -13.6316 PRESSURE: 2676200 -123.377 15.3313 16.5411 15.3311 -117.656 -49.8581 16.541 -49.8582 180.205 GPRESSURE: 2676200 -51.3234 140.156 -16.8011 5.55085 -60.543 -57.7121 18.7269 -76.9223 130.921 PRESSAVG: 2676200 72.216 11.6553 -14.5436 11.6553 -106.024 -18.4119 -14.5437 -18.4119 -1.4439 GPRESSAVG: 2676200 71.6805 13.7486 -14.863 11.666 -105.492 -17.2764 -14.0096 -19.7171 -1.54391 TIMING: 2676200 CPU: 8531.01, 0.00317752/step Wall: 8531.01, 0.00317752/step, 2.05109 hours remaining, 234.671875 MB of memory in use. ENERGY: 2676200 4031.6473 20451.2717 14484.7088 241.4041 -203606.6319 2276.4654 0.0000 0.0000 51964.7611 -110156.3734 298.6422 -162121.1346 -109797.2914 298.4479 -20.2764 6.3516 759890.6543 -11.7506 -11.7852 LDB: ============= START OF LOAD BALANCING ============== 8543.43 LDB: ============== END OF LOAD BALANCING =============== 8543.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8543.43 LDB: ============= START OF LOAD BALANCING ============== 8543.75 LDB: Largest compute 7038 load 0.033509 is 17.1% of average load 0.195442 LDB: Average compute 0.004386 is 2.2% of average load 0.195442 LDB: TIME 8543.75 LOAD: AVG 0.195442 MAX 0.216124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.742 MB LDB: TIME 8543.75 LOAD: AVG 0.195442 MAX 0.216124 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.742 MB LDB: TIME 8543.75 LOAD: AVG 0.195442 MAX 0.216124 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.742 MB LDB: ============== END OF LOAD BALANCING =============== 8543.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8543.76 PRESSURE: 2676400 -15.3071 24.65 310.624 24.6507 99.1811 293.924 310.623 293.923 -214.789 GPRESSURE: 2676400 -43.3521 -34.7239 275.603 17.9489 109.695 237.811 374.002 264.103 -123.464 PRESSAVG: 2676400 83.7576 -10.8657 -42.5155 -10.8657 -53.4719 30.2904 -42.5155 30.2903 14.2819 GPRESSAVG: 2676400 83.8357 -14.0871 -42.1441 -10.3997 -53.7791 30.0652 -44.2118 28.6961 15.1903 TIMING: 2676400 CPU: 8531.65, 0.00322836/step Wall: 8531.65, 0.00322836/step, 2.08373 hours remaining, 233.070312 MB of memory in use. ENERGY: 2676400 4057.1472 20482.6153 14537.9473 241.9055 -203548.8826 2514.0967 0.0000 0.0000 51651.0466 -110064.1240 296.8393 -161715.1706 -109708.4562 298.1823 -43.6385 -19.0404 760840.7527 14.8559 15.0823 PRESSURE: 2676600 -129.889 78.7498 270.514 78.7481 -212.47 -49.0984 270.515 -49.0981 -236.158 GPRESSURE: 2676600 -115.092 9.46149 219.609 93.0649 -143.245 34.3224 246.888 108.607 -248.414 PRESSAVG: 2676600 57.2857 29.2072 -28.9554 29.2071 -64.306 42.0693 -28.9554 42.0694 -4.69097 GPRESSAVG: 2676600 56.0343 28.2414 -31.1121 27.8717 -63.7283 43.4914 -28.0937 44.4551 -3.3717 TIMING: 2676600 CPU: 8532.29, 0.00316895/step Wall: 8532.29, 0.00316895/step, 2.04521 hours remaining, 233.273438 MB of memory in use. ENERGY: 2676600 3922.6841 20435.5780 14453.4428 244.6118 -203601.7562 2455.7322 0.0000 0.0000 51960.9124 -110128.7950 298.6201 -162089.7073 -109755.3335 297.9631 -192.8389 -168.9169 760170.5885 -3.9038 -3.6886 PRESSURE: 2676800 293.208 -131.913 34.8827 -131.913 227.262 -85.5695 34.8827 -85.5692 777.082 GPRESSURE: 2676800 336.511 -224.306 -39.5087 -72.2534 222.629 13.428 -115.591 -142.434 822.92 PRESSAVG: 2676800 4.55544 -22.2902 -7.7352 -22.2901 42.4472 18.2481 -7.73512 18.2482 16.2243 GPRESSAVG: 2676800 5.93881 -21.267 -4.61075 -20.6312 42.2856 16.8668 -6.87436 19.4283 14.8333 TIMING: 2676800 CPU: 8532.92, 0.00317299/step Wall: 8532.92, 0.00317299/step, 2.04764 hours remaining, 233.273438 MB of memory in use. ENERGY: 2676800 3900.4280 20428.8549 14433.0573 245.6046 -203887.8711 3035.0245 0.0000 0.0000 51783.5573 -110061.3446 297.6008 -161844.9019 -109693.3518 297.6014 432.5176 460.6866 760434.2947 21.0757 21.0192 PRESSURE: 2677000 149.897 69.3481 -166.888 69.3474 -26.143 95.0172 -166.888 95.0154 176.459 GPRESSURE: 2677000 146.243 -28.066 -123.332 99.9941 148.69 70.4786 -4.93801 -44.7273 97.4059 PRESSAVG: 2677000 49.8279 -26.4884 15.4193 -26.4884 -21.6309 0.918125 15.4193 0.918125 -18.096 GPRESSAVG: 2677000 48.6516 -27.5516 12.7353 -27.0849 -20.588 1.97092 15.0163 -2.48269 -18.0831 TIMING: 2677000 CPU: 8533.56, 0.00317246/step Wall: 8533.56, 0.00317246/step, 2.04712 hours remaining, 233.273438 MB of memory in use. ENERGY: 2677000 3926.7713 20527.3290 14493.8000 217.7946 -203089.5017 2111.1834 0.0000 0.0000 51850.5731 -109962.0503 297.9860 -161812.6234 -109591.2832 298.4193 100.0711 130.7794 760467.6755 3.3670 3.3268 PRESSURE: 2677200 451.25 207.607 44.086 207.606 239.317 5.78221 44.0855 5.78357 -25.9771 GPRESSURE: 2677200 469.536 214.064 66.8206 110.689 311.089 56.2616 39.9767 -27.5564 -49.7879 PRESSAVG: 2677200 22.7356 -27.2641 -17.924 -27.2641 -62.717 -12.584 -17.924 -12.584 -1.75209 GPRESSAVG: 2677200 23.1609 -23.3554 -16.3209 -27.4327 -63.4667 -11.8371 -19.4006 -13.1232 -1.54357 TIMING: 2677200 CPU: 8534.19, 0.00318599/step Wall: 8534.19, 0.00318599/step, 2.05567 hours remaining, 233.273438 MB of memory in use. ENERGY: 2677200 3984.1042 20526.8530 14481.2383 247.0125 -203859.7193 2787.4415 0.0000 0.0000 51976.0512 -109857.0185 298.7071 -161833.0697 -109500.2187 298.7612 221.5299 243.6125 759294.3814 -13.9112 -13.9498 PRESSURE: 2677400 -115.528 -251.622 -34.4842 -251.622 -63.2993 49.9524 -34.4839 49.9528 -625.826 GPRESSURE: 2677400 -86.6256 -264.018 -26.409 -141.447 -57.3486 105.209 50.604 19.4519 -579.462 PRESSAVG: 2677400 53.9206 44.888 29.8777 44.8881 -38.317 50.4502 29.8777 50.4501 -6.45081 GPRESSAVG: 2677400 54.2675 45.2785 29.0453 44.5286 -39.2408 49.4571 31.1457 52.9387 -5.67082 TIMING: 2677400 CPU: 8534.83, 0.00319432/step Wall: 8534.83, 0.00319432/step, 2.06087 hours remaining, 233.273438 MB of memory in use. ENERGY: 2677400 3999.6020 20665.4961 14478.8055 238.5937 -202714.3634 2040.8120 0.0000 0.0000 51643.4490 -109647.6052 296.7956 -161291.0542 -109284.6768 298.8172 -268.2177 -241.1455 760452.3030 3.0509 3.1186 PRESSURE: 2677600 28.1402 -3.73065 -147.92 -3.73095 -110.886 -101.071 -147.92 -101.07 -96.2486 GPRESSURE: 2677600 106.763 36.5954 -218.885 49.8042 -103.951 -126.928 -44.1097 -46.2598 -104.077 PRESSAVG: 2677600 55.3878 -45.5108 39.3665 -45.5107 -60.3776 5.93339 39.3664 5.93336 17.5022 GPRESSAVG: 2677600 55.8074 -47.0439 40.8805 -44.8241 -59.2582 5.345 39.2841 7.02745 15.9516 TIMING: 2677600 CPU: 8535.47, 0.00317561/step Wall: 8535.47, 0.00317561/step, 2.04862 hours remaining, 233.273438 MB of memory in use. ENERGY: 2677600 3933.9450 20419.9262 14418.1975 241.6963 -203206.7546 2410.3977 0.0000 0.0000 51800.2457 -109982.3462 297.6967 -161782.5919 -109612.5242 298.5938 -59.6647 -33.7553 761674.7850 4.1708 4.1669 PRESSURE: 2677800 154.528 -18.4128 -137.843 -18.4129 331.005 -4.85275 -137.843 -4.85197 294.163 GPRESSURE: 2677800 315.095 39.2366 -103.813 -147.666 266.504 47.9434 -154.189 -5.57827 292.163 PRESSAVG: 2677800 52.0335 -36.1548 3.60927 -36.1548 -50.3812 -25.8489 3.60929 -25.8489 -17.1073 GPRESSAVG: 2677800 52.0698 -35.1933 3.01945 -37.1849 -51.527 -26.0411 5.70867 -23.3123 -16.0421 TIMING: 2677800 CPU: 8536.1, 0.00316608/step Wall: 8536.1, 0.00316608/step, 2.0423 hours remaining, 233.273438 MB of memory in use. ENERGY: 2677800 3930.3941 20472.3006 14427.0537 273.9284 -203495.1304 2702.1288 0.0000 0.0000 51863.7677 -109825.5571 298.0618 -161689.3248 -109474.0875 298.4277 259.8988 291.2540 762285.4314 -5.1517 -5.1664 PRESSURE: 2678000 -295.807 -112.176 81.4957 -112.177 -182.44 261.357 81.4957 261.357 25.5891 GPRESSURE: 2678000 -243.652 -66.2836 22.1789 -92.4324 -152.074 194.511 60.9933 265.452 36.5615 PRESSAVG: 2678000 -9.28684 -52.0708 -3.53223 -52.0708 12.231 22.8649 -3.53225 22.8649 7.33123 GPRESSAVG: 2678000 -8.88219 -52.39 -4.78723 -50.8837 12.8857 22.3766 -4.48955 19.0542 6.60461 TIMING: 2678000 CPU: 8536.73, 0.00316088/step Wall: 8536.73, 0.00316088/step, 2.03877 hours remaining, 233.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2678000 4000.6633 20608.3194 14396.5061 261.0812 -203083.4958 2270.7555 0.0000 0.0000 51768.8418 -109777.3285 297.5162 -161546.1703 -109428.0441 298.2727 -150.8860 -119.7214 760553.2183 3.4251 3.5360 PRESSURE: 2678200 12.3809 -7.33229 -303.832 -7.33197 230.142 -18.0476 -303.831 -18.0476 7.71054 GPRESSURE: 2678200 112.471 133.536 -228.225 97.5817 275.568 -64.2885 -276.124 35.4913 -47.622 PRESSAVG: 2678200 19.3482 -58.1519 0.504206 -58.1519 22.6573 27.9442 0.504256 27.9442 16.6081 GPRESSAVG: 2678200 19.7725 -57.6982 0.782464 -57.8237 22.5393 28.9741 -0.152071 28.8926 16.5687 TIMING: 2678200 CPU: 8537.37, 0.0031966/step Wall: 8537.37, 0.0031966/step, 2.06163 hours remaining, 233.273438 MB of memory in use. ENERGY: 2678200 3970.6540 20490.0629 14421.3952 222.9390 -203494.8638 2490.3026 0.0000 0.0000 52093.9097 -109805.6005 299.3844 -161899.5101 -109437.3171 298.7703 83.4111 113.4723 761015.8448 19.5379 19.6268 PRESSURE: 2678400 88.5794 -34.1688 -142.512 -34.168 -314.267 -266.191 -142.512 -266.191 -306.8 GPRESSURE: 2678400 44.1592 -138.648 -58.0066 -152.1 -230.748 -271.627 -100.802 -330.262 -228.118 PRESSAVG: 2678400 129.085 -77.9859 -17.5991 -77.9859 -85.69 2.53093 -17.5991 2.53097 19.8179 GPRESSAVG: 2678400 128.078 -79.6483 -15.8208 -77.565 -84.7492 2.69901 -17.4384 2.15411 19.733 TIMING: 2678400 CPU: 8538.01, 0.00319153/step Wall: 8538.01, 0.00319153/step, 2.05818 hours remaining, 233.273438 MB of memory in use. ENERGY: 2678400 4043.2551 20309.0371 14532.1577 248.2102 -203680.2678 2645.9945 0.0000 0.0000 52111.5610 -109790.0522 299.4859 -161901.6132 -109425.2255 298.7170 -177.4960 -138.2356 759771.0752 21.0709 21.0205 PRESSURE: 2678600 124.261 -66.9684 25.639 -66.9681 264.06 146.603 25.6386 146.604 261.683 GPRESSURE: 2678600 149.878 -116.13 19.2457 47.5919 307.796 91.9204 -82.9766 162.325 267.044 PRESSAVG: 2678600 49.9667 -28.6614 -23.2817 -28.6614 -50.959 -21.108 -23.2817 -21.108 -1.567 GPRESSAVG: 2678600 49.0751 -28.6784 -24.5775 -29.0337 -51.2869 -22.557 -23.6627 -21.1873 -0.376418 TIMING: 2678600 CPU: 8538.66, 0.00323123/step Wall: 8538.66, 0.00323123/step, 2.0836 hours remaining, 233.273438 MB of memory in use. ENERGY: 2678600 3947.4620 20415.8047 14420.4205 245.5529 -203806.4680 2648.7554 0.0000 0.0000 52139.6976 -109988.7749 299.6476 -162128.4725 -109615.9336 298.3306 216.6680 241.5726 760813.8798 -0.8531 -0.8628 PRESSURE: 2678800 108.649 -53.0405 -264.286 -53.0396 133.255 49.7443 -264.286 49.745 198.908 GPRESSURE: 2678800 142.665 -88.8218 -186.483 -41.7352 194.937 25.5224 -221.603 53.6695 180.363 PRESSAVG: 2678800 -19.0314 23.2223 -63.4372 23.2223 39.2835 14.2069 -63.4372 14.2069 36.9752 GPRESSAVG: 2678800 -18.4071 23.5587 -64.1061 24.1545 39.0147 13.6329 -61.7082 14.1305 36.3721 TIMING: 2678800 CPU: 8539.3, 0.00322392/step Wall: 8539.3, 0.00322392/step, 2.07871 hours remaining, 233.273438 MB of memory in use. ENERGY: 2678800 4005.7855 20536.4151 14417.4301 246.5023 -203509.0469 2361.9813 0.0000 0.0000 51935.7585 -110005.1742 298.4755 -161940.9327 -109649.9221 298.2631 146.9376 172.6551 760330.6538 19.0758 18.9932 PRESSURE: 2679000 -32.4986 -274.498 106.722 -274.498 99.3713 24.7321 106.722 24.7318 13.5552 GPRESSURE: 2679000 136.751 -181.596 116.781 -300.659 55.746 110.965 212.042 -60.5503 -0.273008 PRESSAVG: 2679000 0.439366 -43.8041 12.9721 -43.8041 -36.5389 -4.20464 12.9721 -4.20473 9.5805 GPRESSAVG: 2679000 -0.712569 -43.0619 12.6398 -43.6133 -36.3801 -3.77686 11.2622 -4.11962 10.431 TIMING: 2679000 CPU: 8539.94, 0.00319976/step Wall: 8539.94, 0.00319976/step, 2.06296 hours remaining, 233.273438 MB of memory in use. ENERGY: 2679000 3907.8197 20522.0597 14406.5432 238.6931 -203725.5949 2755.1132 0.0000 0.0000 51950.7923 -109944.5738 298.5619 -161895.3662 -109580.9183 298.2009 26.8093 64.0746 761845.5316 -8.8397 -8.8872 PRESSURE: 2679200 578.849 18.4796 80.323 18.479 -239.494 67.336 80.3231 67.3358 -121.63 GPRESSURE: 2679200 623.823 -96.3732 88.8707 -5.8832 -111.879 76.0676 83.7162 16.8254 -183.995 PRESSAVG: 2679200 -4.07022 -2.31147 -23.7741 -2.31144 -0.88212 42.0354 -23.7741 42.0355 4.89021 GPRESSAVG: 2679200 -3.51562 -2.52507 -22.5729 -3.37257 -0.343786 41.3368 -23.4942 41.8228 4.22595 TIMING: 2679200 CPU: 8540.58, 0.00320582/step Wall: 8540.58, 0.00320582/step, 2.06669 hours remaining, 233.273438 MB of memory in use. ENERGY: 2679200 3940.2749 20466.6738 14398.5397 235.3713 -203254.6314 2469.9756 0.0000 0.0000 51759.3116 -109984.4845 297.4615 -161743.7961 -109632.4477 297.7751 72.5748 109.3164 759839.2962 -0.0207 0.1222 PRESSURE: 2679400 214.919 -120.678 32.0742 -120.677 82.4692 67.892 32.0736 67.8932 245.49 GPRESSURE: 2679400 201.238 -94.7273 82.867 -140.946 158.805 47.7319 35.5072 67.1013 260.385 PRESSAVG: 2679400 30.4605 -62.4756 47.1563 -62.4756 -27.5961 33.342 47.1562 33.342 3.13085 GPRESSAVG: 2679400 30.3793 -61.4687 46.8898 -63.2679 -28.1109 35.0195 46.9286 33.1479 3.64307 TIMING: 2679400 CPU: 8541.22, 0.00319092/step Wall: 8541.22, 0.00319092/step, 2.0569 hours remaining, 233.273438 MB of memory in use. ENERGY: 2679400 3955.0430 20313.7069 14403.0661 225.2147 -203908.3400 2867.9261 0.0000 0.0000 52245.6350 -109897.7481 300.2564 -162143.3832 -109532.8325 298.6698 180.9593 206.8092 760908.4993 1.9984 1.9705 PRESSURE: 2679600 -143.752 11.8912 23.8999 11.8907 -399.977 -61.5383 23.9004 -61.5384 27.9292 GPRESSURE: 2679600 -42.1417 54.4555 94.167 -53.8558 -356.603 -89.7696 -8.90173 -76.7027 -31.2065 PRESSAVG: 2679600 5.07797 -56.1273 29.9908 -56.1273 -4.72674 -3.04766 29.9908 -3.04773 -10.9224 GPRESSAVG: 2679600 5.46089 -56.0713 30.561 -53.6305 -4.81951 -2.75478 29.771 -4.14198 -11.8122 TIMING: 2679600 CPU: 8541.86, 0.00318626/step Wall: 8541.86, 0.00318626/step, 2.05372 hours remaining, 233.273438 MB of memory in use. ENERGY: 2679600 3978.7703 20491.2760 14480.8840 237.9581 -203344.0528 2269.5892 0.0000 0.0000 52141.7057 -109743.8694 299.6591 -161885.5751 -109376.0874 298.8325 -171.9334 -143.3171 760900.0538 -3.5237 -3.7236 PRESSURE: 2679800 -141.894 26.8923 85.718 26.8921 -107.267 188.772 85.7182 188.772 -325.173 GPRESSURE: 2679800 -79.5553 13.6274 36.8749 -73.2466 -107.108 151.96 -6.07704 142.254 -306.746 PRESSAVG: 2679800 27.1078 -75.6573 18.5562 -75.6573 10.7021 -55.0521 18.5562 -55.052 -8.82695 GPRESSAVG: 2679800 27.3631 -74.7275 19.9651 -77.1606 11.0361 -54.6874 17.213 -53.8483 -9.38523 TIMING: 2679800 CPU: 8542.49, 0.00316754/step Wall: 8542.49, 0.00316754/step, 2.04148 hours remaining, 233.273438 MB of memory in use. ENERGY: 2679800 4033.5560 20671.7024 14465.2377 232.6080 -203435.5720 2468.8383 0.0000 0.0000 52131.2418 -109432.3877 299.5990 -161563.6295 -109077.0235 299.1369 -191.4445 -164.4697 761700.1683 9.6610 9.6713 PRESSURE: 2680000 88.228 -169.629 45.2895 -169.629 64.0085 -48.0407 45.2899 -48.0407 257.179 GPRESSURE: 2680000 186.132 -161.702 148.855 -218.028 70.736 -89.4673 75.795 -46.6231 236.481 PRESSAVG: 2680000 -9.99079 -84.7221 34.1437 -84.7221 2.59888 -20.9843 34.1437 -20.9844 30.6988 GPRESSAVG: 2680000 -9.0836 -84.9895 32.9184 -85.2123 1.309 -21.4159 32.9554 -21.4647 30.9336 TIMING: 2680000 CPU: 8543.12, 0.00315979/step Wall: 8543.12, 0.00315979/step, 2.03631 hours remaining, 233.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2680000 3992.4947 20602.2856 14464.1882 233.7434 -203828.0505 2873.8865 0.0000 0.0000 52345.4134 -109316.0387 300.8298 -161661.4521 -108947.2924 299.8033 136.4717 164.4495 760747.0801 7.7690 7.7197 PRESSURE: 2680200 -12.3074 244.536 127.968 244.537 -234.864 28.491 127.967 28.4919 -66.4844 GPRESSURE: 2680200 39.4872 286.056 179.722 289.647 -185.392 86.8597 -7.47205 38.0755 -100.548 PRESSAVG: 2680200 41.2082 -9.73708 -9.11016 -9.73707 -22.9369 0.126084 -9.11018 0.126044 1.09783 GPRESSAVG: 2680200 39.9591 -10.8686 -7.92471 -7.50423 -21.6283 -0.0190322 -7.97457 1.22892 1.16841 TIMING: 2680200 CPU: 8543.76, 0.00316628/step Wall: 8543.76, 0.00316628/step, 2.04031 hours remaining, 233.273438 MB of memory in use. ENERGY: 2680200 3980.8519 20528.9517 14503.2503 245.5713 -203831.4793 2792.3074 0.0000 0.0000 52262.1891 -109518.3575 300.3515 -161780.5467 -109154.8778 299.8396 -104.5519 -82.1508 759876.4887 6.4564 6.4997 LDB: ============= START OF LOAD BALANCING ============== 8556.17 LDB: ============== END OF LOAD BALANCING =============== 8556.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8556.18 LDB: ============= START OF LOAD BALANCING ============== 8556.5 LDB: Largest compute 7034 load 0.033568 is 17.2% of average load 0.195432 LDB: Average compute 0.004381 is 2.2% of average load 0.195432 LDB: TIME 8556.5 LOAD: AVG 0.195432 MAX 0.215388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.613 MB LDB: TIME 8556.5 LOAD: AVG 0.195432 MAX 0.215388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 8556.5 LOAD: AVG 0.195432 MAX 0.215388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 8556.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8556.51 PRESSURE: 2680400 -246.065 -57.8396 57.1569 -57.8407 -91.0717 186.421 57.157 186.422 -153.251 GPRESSURE: 2680400 -142.63 -37.3843 99.3416 38.6444 -115.532 231.103 200.076 141.153 -152.944 PRESSAVG: 2680400 11.7372 0.175454 -8.93074 0.175444 -32.0506 -18.2208 -8.93072 -18.2209 -5.52346 GPRESSAVG: 2680400 12.0778 0.86821 -12.1331 -1.4242 -32.3938 -17.2409 -7.20088 -16.6837 -5.09212 TIMING: 2680400 CPU: 8544.4, 0.00323288/step Wall: 8544.4, 0.00323288/step, 2.08305 hours remaining, 232.910156 MB of memory in use. ENERGY: 2680400 3962.0297 20476.0869 14444.5035 252.4904 -203337.8637 2634.2359 0.0000 0.0000 52093.2381 -109475.2792 299.3806 -161568.5173 -109111.6555 299.4391 -163.4625 -137.0356 761879.1906 -8.6123 -8.4694 PRESSURE: 2680600 -86.4714 106.312 -9.6849 106.313 -219.62 -20.245 -9.68433 -20.2444 84.0126 GPRESSURE: 2680600 -52.2806 109.134 111.846 66.4984 -208.935 -117.275 -66.2209 98.3357 131.315 PRESSAVG: 2680600 11.4585 -6.19816 7.86068 -6.19818 -19.899 -14.7575 7.86068 -14.7575 -7.47872 GPRESSAVG: 2680600 11.4541 -7.68983 9.46299 -4.77395 -19.3887 -16.3856 4.4341 -14.682 -8.31855 TIMING: 2680600 CPU: 8545.05, 0.00321524/step Wall: 8545.05, 0.00321524/step, 2.07151 hours remaining, 232.910156 MB of memory in use. ENERGY: 2680600 4010.3108 20518.2454 14461.7594 248.2247 -203445.4270 2388.2959 0.0000 0.0000 52067.1030 -109751.4877 299.2304 -161818.5907 -109390.3135 298.5673 -74.0261 -43.3005 763186.0006 -5.3064 -5.4177 PRESSURE: 2680800 -523.901 -278.317 -49.5847 -278.317 -107.687 74.8635 -49.5841 74.8634 -202.221 GPRESSURE: 2680800 -393.345 -118.115 -45.9311 -245.531 -175.795 60.809 25.5979 38.1176 -155.261 PRESSAVG: 2680800 32.8823 -37.4696 28.5358 -37.4696 6.98205 33.7446 28.5358 33.7447 -22.4067 GPRESSAVG: 2680800 32.7765 -37.248 28.8753 -37.8765 6.21453 33.914 32.6896 32.7851 -21.8219 TIMING: 2680800 CPU: 8545.69, 0.00321094/step Wall: 8545.69, 0.00321094/step, 2.06856 hours remaining, 232.910156 MB of memory in use. ENERGY: 2680800 4041.8079 20520.7808 14480.5794 239.3765 -203196.1916 2379.5608 0.0000 0.0000 51964.5268 -109569.5594 298.6408 -161534.0862 -109197.7781 298.6614 -277.9365 -241.4671 762362.9058 5.8192 5.7230 PRESSURE: 2681000 407.925 -73.3899 -104.815 -73.3905 229.024 -23.2042 -104.815 -23.205 641.028 GPRESSURE: 2681000 416.065 -61.5793 -137.102 -142.162 292.39 24.5207 -96.9031 19.8431 663.351 PRESSAVG: 2681000 -35.6273 -43.1361 -22.6361 -43.1361 56.0909 -5.80622 -22.6361 -5.80609 8.18279 GPRESSAVG: 2681000 -36.0933 -41.4232 -24.4264 -43.9046 56.2924 -4.06244 -25.1472 -7.39696 8.8258 TIMING: 2681000 CPU: 8546.33, 0.0032061/step Wall: 8546.33, 0.0032061/step, 2.06527 hours remaining, 232.910156 MB of memory in use. ENERGY: 2681000 3965.1074 20553.5501 14490.6818 240.6882 -203834.5369 2882.2534 0.0000 0.0000 51920.1332 -109782.1227 298.3857 -161702.2559 -109415.3145 299.0625 425.9921 457.2684 759990.2046 9.5488 9.6750 PRESSURE: 2681200 -215.37 -0.149716 165.019 -0.14988 263.186 -88.9903 165.02 -88.9904 437.592 GPRESSURE: 2681200 -191.54 -9.39569 175.712 -94.322 333.708 -167.212 168.223 -54.9154 409.956 PRESSAVG: 2681200 -26.5189 1.96345 33.6346 1.96344 46.4464 31.1027 33.6347 31.1026 12.3881 GPRESSAVG: 2681200 -26.4391 0.683275 34.4112 0.593125 46.3101 28.962 34.3516 31.2096 12.2444 TIMING: 2681200 CPU: 8546.97, 0.00319757/step Wall: 8546.97, 0.00319757/step, 2.05959 hours remaining, 232.910156 MB of memory in use. ENERGY: 2681200 3938.1272 20484.4629 14409.4123 246.8476 -203792.0359 2574.7801 0.0000 0.0000 52332.5894 -109805.8164 300.7561 -162138.4058 -109433.4353 299.0889 161.8028 184.0415 761230.0443 10.7719 10.7051 PRESSURE: 2681400 -197.11 -249.128 133.669 -249.128 -397.174 118.232 133.669 118.232 70.5596 GPRESSURE: 2681400 -120.288 -258.746 108.514 -225.032 -435.372 136.222 135.462 139.506 103.675 PRESSAVG: 2681400 4.3921 -51.4095 49.0057 -51.4095 -25.0845 19.6461 49.0058 19.6461 -0.125489 GPRESSAVG: 2681400 5.03241 -52.8585 50.4415 -48.5961 -25.7005 20.3213 47.8014 21.2504 0.547906 TIMING: 2681400 CPU: 8547.6, 0.00317065/step Wall: 8547.6, 0.00317065/step, 2.04207 hours remaining, 232.910156 MB of memory in use. ENERGY: 2681400 4102.9504 20525.9200 14451.5083 220.8102 -203486.5445 2487.4580 0.0000 0.0000 52163.9526 -109533.9450 299.7870 -161697.8976 -109164.2440 299.0965 -174.5746 -150.6618 762154.0068 -6.9393 -6.7067 PRESSURE: 2681600 -22.1065 -182.387 119.187 -182.387 -77.119 -129.327 119.187 -129.327 40.0194 GPRESSURE: 2681600 66.5853 -124.615 125.342 -210.998 -48.0355 -114.843 -3.6682 -146.183 -1.65367 PRESSAVG: 2681600 61.5515 -33.9626 14.6363 -33.9625 -30.6106 -55.4126 14.6363 -55.4126 -0.478721 GPRESSAVG: 2681600 61.5951 -32.3003 11.8326 -35.4405 -30.8162 -56.1722 17.4017 -54.526 -0.255571 TIMING: 2681600 CPU: 8548.24, 0.00317674/step Wall: 8548.24, 0.00317674/step, 2.04582 hours remaining, 232.910156 MB of memory in use. ENERGY: 2681600 3968.9477 20471.1223 14542.6636 261.4692 -203165.2013 2527.8447 0.0000 0.0000 52058.3904 -109334.7634 299.1803 -161393.1538 -108959.8077 299.2437 -19.7353 5.6320 761980.4654 10.1541 10.1744 PRESSURE: 2681800 -128.715 77.2387 -24.9697 77.2391 194.551 -222.473 -24.9691 -222.473 -381.726 GPRESSURE: 2681800 -97.3009 48.7209 -64.7426 110.343 236.835 -137.377 88.5981 -134.24 -343.194 PRESSAVG: 2681800 28.4092 -49.9702 9.01828 -49.9702 -47.2947 -60.8599 9.01827 -60.8598 -6.84816 GPRESSAVG: 2681800 27.484 -50.404 10.4908 -50.9955 -45.0882 -61.3719 7.50519 -60.4978 -8.20338 TIMING: 2681800 CPU: 8548.87, 0.00318041/step Wall: 8548.87, 0.00318041/step, 2.048 hours remaining, 232.910156 MB of memory in use. ENERGY: 2681800 4056.9381 20523.6198 14542.8217 229.4353 -203411.3756 2652.8165 0.0000 0.0000 51986.6833 -109419.0608 298.7682 -161405.7442 -109054.7960 299.7365 -105.2968 -67.8865 760807.7181 -8.5779 -8.6025 PRESSURE: 2682000 52.9049 42.9925 80.3821 42.9929 99.3231 -58.5768 80.3821 -58.5777 123.962 GPRESSURE: 2682000 92.3323 9.4956 10.2815 -7.21096 170.23 -82.3307 68.5319 25.6044 94.6786 PRESSAVG: 2682000 52.7999 -34.4412 9.59776 -34.4412 -13.7312 0.0209086 9.59775 0.0208835 -20.664 GPRESSAVG: 2682000 53.6287 -33.8097 8.73796 -33.5577 -14.8772 2.44753 7.73396 -1.3997 -19.973 TIMING: 2682000 CPU: 8549.51, 0.00317512/step Wall: 8549.51, 0.00317512/step, 2.04442 hours remaining, 232.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2682000 4075.0081 20613.6136 14496.7246 244.5113 -203313.2814 2704.3578 0.0000 0.0000 52037.4842 -109141.5816 299.0601 -161179.0658 -108775.6793 299.5452 92.0633 119.0804 761664.0522 6.1349 6.2595 PRESSURE: 2682200 -28.8936 163.137 -205.779 163.137 -42.0149 86.0693 -205.779 86.0702 -22.6217 GPRESSURE: 2682200 68.417 87.1134 -183.323 126.964 -103.037 -47.9179 -100.928 62.9831 4.39906 PRESSAVG: 2682200 29.3773 -68.4963 56.5364 -68.4964 -36.4647 -17.347 56.5365 -17.347 -15.255 GPRESSAVG: 2682200 29.1791 -68.2624 55.977 -69.3171 -37.0306 -19.1528 59.6182 -17.1316 -14.4331 TIMING: 2682200 CPU: 8550.15, 0.00319331/step Wall: 8550.15, 0.00319331/step, 2.05596 hours remaining, 232.910156 MB of memory in use. ENERGY: 2682200 4040.1966 20621.0393 14463.5742 253.1576 -203217.4429 2605.4777 0.0000 0.0000 51963.2631 -109270.7344 298.6336 -161233.9976 -108913.9835 300.0158 -31.1767 -10.0735 761289.0541 -7.4475 -7.4282 PRESSURE: 2682400 253.512 -51.9709 39.0929 -51.9719 437.718 0.197488 39.0927 0.197339 489.878 GPRESSURE: 2682400 337.275 -7.35491 90.9025 8.09897 448.601 99.5361 23.2991 21.7451 483.478 PRESSAVG: 2682400 -5.90736 -22.4339 22.5383 -22.4339 -41.2455 5.91748 22.5383 5.91744 -2.76082 GPRESSAVG: 2682400 -4.29966 -23.3656 23.6621 -22.7561 -41.0819 6.06677 19.6747 5.41356 -4.00172 TIMING: 2682400 CPU: 8550.78, 0.00316171/step Wall: 8550.78, 0.00316171/step, 2.03544 hours remaining, 232.910156 MB of memory in use. ENERGY: 2682400 4010.3771 20421.4692 14502.8208 271.0885 -203530.4130 2752.3302 0.0000 0.0000 52190.7954 -109381.5317 299.9412 -161572.3271 -109018.5131 299.8931 393.7030 423.1179 760031.0238 -16.6379 -16.4611 PRESSURE: 2682600 -312.275 145.693 -26.1248 145.694 -76.4355 209.45 -26.1251 209.449 184.88 GPRESSURE: 2682600 -353.576 131.839 78.4299 81.3251 9.30977 195.588 8.63475 201.9 218.354 PRESSAVG: 2682600 16.4397 -24.5099 20.5454 -24.5099 -58.6096 2.50845 20.5454 2.50848 4.3331 GPRESSAVG: 2682600 15.6182 -26.3251 20.5515 -23.3128 -57.6698 3.76492 20.7025 1.12824 4.13499 TIMING: 2682600 CPU: 8551.41, 0.00316893/step Wall: 8551.41, 0.00316893/step, 2.03991 hours remaining, 232.910156 MB of memory in use. ENERGY: 2682600 4042.3413 20542.8284 14534.8024 235.6384 -203453.5295 2574.7802 0.0000 0.0000 52053.3595 -109469.7793 299.1514 -161523.1388 -109120.1995 299.2522 -67.9433 -41.9710 761003.2122 -12.6122 -12.6389 PRESSURE: 2682800 133.621 -112.819 -202.076 -112.82 10.5663 78.7888 -202.076 78.7876 -2.67569 GPRESSURE: 2682800 30.6949 -80.5388 -289.943 -186.75 89.0709 68.0945 -209.853 -26.7509 101.562 PRESSAVG: 2682800 32.8578 -25.67 6.22889 -25.67 21.8729 32.7433 6.22891 32.7434 0.49477 GPRESSAVG: 2682800 31.7991 -24.165 5.59552 -26.5936 22.0961 31.8892 8.27946 32.8096 1.27809 TIMING: 2682800 CPU: 8552.05, 0.00319227/step Wall: 8552.05, 0.00319227/step, 2.05476 hours remaining, 232.910156 MB of memory in use. ENERGY: 2682800 3949.2239 20504.2888 14490.2621 238.2117 -203404.9021 2459.1943 0.0000 0.0000 52204.4780 -109559.2434 300.0199 -161763.7214 -109192.7310 299.5522 47.1706 73.7758 762036.5421 18.4085 18.3911 PRESSURE: 2683000 -51.8223 -8.86898 -64.7254 -8.86897 -199.441 -67.7159 -64.7252 -67.7161 -183.484 GPRESSURE: 2683000 3.02319 -71.7757 -151.794 9.34003 -187.818 -94.2729 13.7932 -94.0712 -167.46 PRESSAVG: 2683000 27.882 -46.3736 -6.25235 -46.3735 -36.1588 6.21084 -6.25234 6.21081 4.91487 GPRESSAVG: 2683000 28.3301 -47.5063 -6.0857 -45.2544 -37.2587 5.46886 -8.69185 5.81085 5.07405 TIMING: 2683000 CPU: 8552.69, 0.00319344/step Wall: 8552.69, 0.00319344/step, 2.05533 hours remaining, 232.910156 MB of memory in use. ENERGY: 2683000 3991.7997 20507.1614 14439.3432 241.0063 -203600.9216 2614.5041 0.0000 0.0000 52211.2014 -109595.9055 300.0585 -161807.1069 -109229.9087 299.2675 -144.9155 -117.4184 762088.3642 -1.1207 -1.2849 PRESSURE: 2683200 335.786 -69.2973 73.2193 -69.2976 241.661 67.7296 73.2189 67.73 216.038 GPRESSURE: 2683200 383.001 -28.5275 45.1697 5.25707 251.022 -32.4075 128.898 82.7476 261.995 PRESSAVG: 2683200 12.5891 -33.6119 18.1062 -33.6119 4.46528 -12.1222 18.1063 -12.1222 11.4107 GPRESSAVG: 2683200 12.8577 -33.9401 17.7191 -33.8208 5.53956 -11.2043 19.7096 -11.0863 10.5834 TIMING: 2683200 CPU: 8553.33, 0.003189/step Wall: 8553.33, 0.003189/step, 2.0523 hours remaining, 232.910156 MB of memory in use. ENERGY: 2683200 4008.7779 20520.6684 14498.2554 254.1337 -203594.7380 2719.8556 0.0000 0.0000 51930.0204 -109663.0266 298.4425 -161593.0470 -109309.7588 299.0813 264.4951 298.6728 760203.7407 9.4883 9.6602 PRESSURE: 2683400 407.489 24.2099 -45.0311 24.2095 -39.1489 -70.6824 -45.0316 -70.6824 190.939 GPRESSURE: 2683400 409.742 53.5265 -131.977 12.5586 20.6899 -82.0239 -95.6612 -130.98 193.635 PRESSAVG: 2683400 33.8667 -71.0794 18.6901 -71.0793 -67.9584 -0.25923 18.6901 -0.259207 -8.40287 GPRESSAVG: 2683400 34.0733 -68.1884 18.149 -69.4413 -69.0954 0.7569 18.6528 -0.84823 -7.72014 TIMING: 2683400 CPU: 8553.96, 0.00315495/step Wall: 8553.96, 0.00315495/step, 2.03021 hours remaining, 232.910156 MB of memory in use. ENERGY: 2683400 4016.2577 20478.3465 14495.4154 252.8701 -203425.6528 2454.7582 0.0000 0.0000 52181.1853 -109546.8196 299.8860 -161728.0049 -109182.5935 299.3780 186.4264 208.0225 758730.5666 -14.1648 -14.2474 PRESSURE: 2683600 -96.2042 132.906 -49.6502 132.905 -134.53 -64.6119 -49.6497 -64.6111 -15.4958 GPRESSURE: 2683600 2.27954 53.6838 7.61202 176.785 -148.113 -58.1246 -9.20983 -36.3891 -14.545 PRESSAVG: 2683600 24.1396 -11.2253 -16.7622 -11.2253 0.719566 35.2852 -16.7622 35.2852 -15.8841 GPRESSAVG: 2683600 23.9866 -11.6402 -15.7447 -11.8872 2.14565 34.6509 -17.8077 34.9718 -16.6289 TIMING: 2683600 CPU: 8554.59, 0.00316528/step Wall: 8554.59, 0.00316528/step, 2.03668 hours remaining, 232.910156 MB of memory in use. ENERGY: 2683600 4020.0997 20658.8435 14493.7396 249.4886 -203548.6166 2518.2443 0.0000 0.0000 52124.3101 -109483.8907 299.5591 -161608.2008 -109135.7167 300.2313 -82.0766 -53.4595 760309.5004 2.9917 3.1678 PRESSURE: 2683800 67.445 -295.316 34.618 -295.315 61.5654 88.7708 34.6178 88.7702 147.78 GPRESSURE: 2683800 130.855 -215.746 51.967 -314.573 85.0714 33.1394 -13.1282 266.479 135.65 PRESSAVG: 2683800 91.0502 3.79608 10.0577 3.79618 -68.6655 60.9644 10.0577 60.9644 0.746762 GPRESSAVG: 2683800 91.0176 4.31218 9.01451 3.02503 -69.4028 60.5085 11.0136 59.311 1.29116 TIMING: 2683800 CPU: 8555.22, 0.00315945/step Wall: 8555.22, 0.00315945/step, 2.03275 hours remaining, 232.910156 MB of memory in use. ENERGY: 2683800 3935.7575 20517.8057 14467.3366 255.1990 -203202.6250 2393.4538 0.0000 0.0000 52275.6078 -109357.4646 300.4286 -161633.0724 -108994.6955 300.2849 92.2636 117.1920 759988.5861 7.7105 7.6353 PRESSURE: 2684000 94.1498 280.358 -9.6463 280.357 24.9622 -31.959 -9.64669 -31.9587 316.847 GPRESSURE: 2684000 201.877 318.451 -33.1377 193.764 70.389 90.0839 -184.651 -79.6023 252.678 PRESSAVG: 2684000 92.1451 -6.00622 -6.00741 -6.00618 -67.2714 -26.2469 -6.00738 -26.247 25.9517 GPRESSAVG: 2684000 92.118 -6.70943 -3.87228 -8.57424 -67.1843 -26.0787 -6.60936 -24.4624 25.4761 TIMING: 2684000 CPU: 8555.86, 0.00315819/step Wall: 8555.86, 0.00315819/step, 2.03177 hours remaining, 232.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2684000 3968.3287 20464.8638 14484.6310 228.5444 -203638.8690 2585.4936 0.0000 0.0000 52343.7733 -109563.2342 300.8204 -161907.0075 -109201.5889 299.5033 145.3196 174.9815 759257.4743 16.9418 16.8033 PRESSURE: 2684200 128.094 -13.5062 31.6514 -13.5064 -82.1264 -97.7468 31.6525 -97.7459 615.695 GPRESSURE: 2684200 175.197 -66.7613 37.4164 -108.375 -64.12 -66.0496 133.198 -85.226 627.817 PRESSAVG: 2684200 39.1416 -11.5437 -15.7203 -11.5438 -12.5719 -4.57588 -15.7203 -4.57591 -0.476446 GPRESSAVG: 2684200 38.3913 -13.1089 -18.6524 -10.6651 -14.4416 -4.81592 -14.6812 -5.99077 1.53602 TIMING: 2684200 CPU: 8556.49, 0.00317801/step Wall: 8556.49, 0.00317801/step, 2.04434 hours remaining, 232.910156 MB of memory in use. ENERGY: 2684200 3996.6106 20623.0072 14523.4869 244.1582 -203433.7524 2639.3393 0.0000 0.0000 52087.2407 -109319.9096 299.3461 -161407.1504 -108954.9522 299.9103 220.5543 246.2981 759337.9294 8.6977 8.4952 LDB: ============= START OF LOAD BALANCING ============== 8568.92 LDB: ============== END OF LOAD BALANCING =============== 8568.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8568.92 LDB: ============= START OF LOAD BALANCING ============== 8569.23 LDB: Largest compute 7034 load 0.034234 is 17.5% of average load 0.195554 LDB: Average compute 0.004401 is 2.3% of average load 0.195554 LDB: TIME 8569.24 LOAD: AVG 0.195554 MAX 0.216233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.559 MB LDB: TIME 8569.24 LOAD: AVG 0.195554 MAX 0.216233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.559 MB LDB: TIME 8569.24 LOAD: AVG 0.195554 MAX 0.216233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.559 MB LDB: ============== END OF LOAD BALANCING =============== 8569.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8569.25 PRESSURE: 2684400 -48.3529 67.8216 66.9219 67.8219 -65.798 -180.757 66.9214 -180.758 156.489 GPRESSURE: 2684400 16.8458 132.933 231.153 14.1047 -27.6504 -223.208 -53.2317 -96.6394 136.621 PRESSAVG: 2684400 -14.5487 -14.7834 42.6834 -14.7834 0.970163 -26.295 42.6834 -26.295 -5.0429 GPRESSAVG: 2684400 -14.377 -14.5416 44.1082 -13.4322 2.57199 -26.2154 40.5463 -26.3965 -7.22818 TIMING: 2684400 CPU: 8557.14, 0.00323899/step Wall: 8557.14, 0.00323899/step, 2.08339 hours remaining, 232.281250 MB of memory in use. ENERGY: 2684400 4020.8598 20437.9178 14483.3134 257.6721 -203536.6066 2725.9181 0.0000 0.0000 52009.7886 -109601.1366 298.9010 -161610.9253 -109231.7420 299.7861 14.1126 41.9389 761997.2163 -6.2071 -6.3444 PRESSURE: 2684600 -179.016 4.14701 58.8565 4.14731 -195.348 -17.9348 58.857 -17.9348 -371.179 GPRESSURE: 2684600 -186.51 1.72672 49.9154 19.472 -103.638 43.3319 46.2068 -83.343 -366.279 PRESSAVG: 2684600 -25.1781 -28.2492 24.7033 -28.2492 -8.80617 26.8678 24.7033 26.8677 26.6713 GPRESSAVG: 2684600 -24.6025 -27.9864 26.2481 -25.948 -8.64312 27.7346 22.8474 30.1526 25.5812 TIMING: 2684600 CPU: 8557.77, 0.00313493/step Wall: 8557.77, 0.00313493/step, 2.01628 hours remaining, 232.281250 MB of memory in use. ENERGY: 2684600 4014.2441 20478.5998 14465.4039 249.6709 -203591.6733 2520.1600 0.0000 0.0000 52183.2394 -109680.3552 299.8978 -161863.5946 -109316.6397 298.8868 -248.5144 -218.8094 760989.4144 -2.4377 -2.5548 PRESSURE: 2684800 294.955 148.711 82.1781 148.712 235.232 39.1644 82.1782 39.1648 149.021 GPRESSURE: 2684800 333.512 85.5589 96.6323 150.341 232.692 42.4625 118.116 105.54 203.359 PRESSAVG: 2684800 -6.39801 -21.869 -11.3151 -21.869 -10.0795 27.1391 -11.3151 27.139 4.80407 GPRESSAVG: 2684800 -6.81313 -19.1255 -12.0236 -24.0758 -10.1406 27.1508 -9.9446 24.0347 6.12668 TIMING: 2684800 CPU: 8558.4, 0.00315576/step Wall: 8558.4, 0.00315576/step, 2.02951 hours remaining, 232.281250 MB of memory in use. ENERGY: 2684800 3954.5114 20590.5541 14498.6347 254.7071 -203732.5867 2832.3066 0.0000 0.0000 52016.1867 -109585.6861 298.9377 -161601.8728 -109225.0140 299.2758 226.4024 256.5210 760290.3320 -3.8912 -3.6090 PRESSURE: 2685000 -134.087 -313.175 -30.9604 -313.175 421.477 -20.1354 -30.9605 -20.1369 -76.7627 GPRESSURE: 2685000 -118.783 -195.966 -44.1351 -276.017 454.684 45.3887 -40.7259 -102.511 -30.8423 PRESSAVG: 2685000 5.51995 20.8605 -24.3255 20.8605 11.4072 20.526 -24.3255 20.5261 -3.97864 GPRESSAVG: 2685000 5.63222 18.4083 -24.7261 19.6137 11.4658 18.6177 -20.9118 22.9894 -3.88976 TIMING: 2685000 CPU: 8559.03, 0.00317228/step Wall: 8559.03, 0.00317228/step, 2.03995 hours remaining, 232.281250 MB of memory in use. ENERGY: 2685000 3925.7782 20661.3569 14439.7956 249.5806 -203286.2777 2508.7110 0.0000 0.0000 52123.6022 -109377.4532 299.5551 -161501.0554 -109016.6621 299.6857 70.2090 101.6862 760724.2189 4.3162 4.4028 PRESSURE: 2685200 -85.0408 169.327 -24.1892 169.326 -28.4212 -277.1 -24.189 -277.099 300.582 GPRESSURE: 2685200 -68.3293 240.772 -5.37987 113.47 55.3715 -333.934 -32.9466 -292.673 283.589 PRESSAVG: 2685200 -11.2693 -12.758 28.934 -12.7581 -13.6537 -42.2303 28.934 -42.2303 17.4354 GPRESSAVG: 2685200 -10.2593 -11.189 28.8877 -11.5094 -14.0227 -42.0619 26.8676 -42.4146 16.8683 TIMING: 2685200 CPU: 8559.66, 0.00316219/step Wall: 8559.66, 0.00316219/step, 2.03329 hours remaining, 232.281250 MB of memory in use. ENERGY: 2685200 4012.0725 20537.2052 14378.3967 253.7219 -203353.5743 2571.9974 0.0000 0.0000 51916.6589 -109683.5216 298.3658 -161600.1805 -109319.7431 299.0899 62.3733 90.2103 761915.8519 -2.4959 -2.4712 PRESSURE: 2685400 -127.329 109.554 48.3715 109.553 -318.421 -267.789 48.372 -267.788 -158.74 GPRESSURE: 2685400 -222.609 43.6045 12.3054 171.377 -157.3 -367.693 -27.6772 -177.111 -139.096 PRESSAVG: 2685400 -24.5989 11.525 -24.3429 11.525 29.1912 -93.2017 -24.3429 -93.2017 -6.57454 GPRESSAVG: 2685400 -25.8217 11.7298 -25.273 10.1406 29.2878 -91.2154 -23.969 -93.5009 -5.87674 TIMING: 2685400 CPU: 8560.29, 0.00313381/step Wall: 8560.29, 0.00313381/step, 2.01486 hours remaining, 232.281250 MB of memory in use. ENERGY: 2685400 3947.1334 20566.1831 14444.5129 238.3288 -203435.2393 2435.8889 0.0000 0.0000 51882.8832 -109920.3090 298.1716 -161803.1922 -109565.7867 299.0378 -201.4967 -173.0015 761948.9460 -0.6608 -0.8036 PRESSURE: 2685600 90.0491 -410.84 -87.3923 -410.839 -263.672 -1.91188 -87.393 -1.91189 124.112 GPRESSURE: 2685600 187.724 -242.982 -1.73241 -412.901 -272.795 -12.7842 -138.186 29.1342 116.659 PRESSAVG: 2685600 -24.7246 51.7231 4.2386 51.7231 42.2751 -20.7475 4.23857 -20.7475 2.3302 GPRESSAVG: 2685600 -23.2527 49.877 7.08022 54.2632 41.37 -21.409 4.63392 -21.4091 1.4785 TIMING: 2685600 CPU: 8560.92, 0.00316471/step Wall: 8560.92, 0.00316471/step, 2.03455 hours remaining, 232.281250 MB of memory in use. ENERGY: 2685600 3980.3295 20609.8373 14419.9839 232.2732 -203103.2198 2221.7748 0.0000 0.0000 51687.1915 -109951.8297 297.0470 -161639.0212 -109592.5129 298.4331 -16.5037 10.5290 762138.4687 6.6269 6.5319 PRESSURE: 2685800 -370.398 107.249 274.77 107.249 -331.582 97.849 274.77 97.849 -477.74 GPRESSURE: 2685800 -299.169 57.0652 363.615 139.064 -322.999 34.9132 270.675 5.65357 -444.568 PRESSAVG: 2685800 -31.0234 38.7734 23.5095 38.7735 7.56023 -44.9865 23.5095 -44.9865 4.23882 GPRESSAVG: 2685800 -30.7434 39.4949 21.2605 35.4246 7.55975 -45.9624 23.5976 -44.8073 4.12814 TIMING: 2685800 CPU: 8561.55, 0.00315312/step Wall: 8561.55, 0.00315312/step, 2.02693 hours remaining, 232.281250 MB of memory in use. ENERGY: 2685800 3991.4731 20540.0218 14481.6566 238.7276 -203404.2644 2159.9935 0.0000 0.0000 52006.5772 -109985.8147 298.8825 -161992.3919 -109617.5693 298.5802 -393.2397 -355.5786 761780.2157 -6.4081 -6.3518 PRESSURE: 2686000 224.926 35.2075 32.3739 35.2069 -109.252 -184.038 32.3739 -184.038 89.3838 GPRESSURE: 2686000 226.853 128.947 -87.1804 -46.7885 -114.278 -267.887 102.14 -132.86 181.75 PRESSAVG: 2686000 3.02399 41.0356 47.3081 41.0356 3.23715 -3.92006 47.3081 -3.92008 -4.56843 GPRESSAVG: 2686000 1.58787 40.6234 47.9596 42.4902 4.47876 -2.55001 46.9433 -3.47158 -4.06761 TIMING: 2686000 CPU: 8562.18, 0.00314458/step Wall: 8562.18, 0.00314458/step, 2.02127 hours remaining, 232.281250 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: 2686000 4000.8981 20540.6974 14490.3627 224.8971 -203528.2447 2456.1644 0.0000 0.0000 51929.2523 -109885.9727 298.4381 -161815.2251 -109524.6984 298.8762 68.3526 98.1082 759506.6599 0.5642 0.6663 PRESSURE: 2686200 -53.4051 -106.664 -56.0178 -106.664 243.655 -124.45 -56.0178 -124.448 77.7704 GPRESSURE: 2686200 -57.4023 -73.2529 -104.682 -128.637 221.839 -46.6782 15.4243 -157.282 200.422 PRESSAVG: 2686200 -20.5838 15.4093 31.5388 15.4094 24.7264 -9.64343 31.5388 -9.64337 6.44166 GPRESSAVG: 2686200 -20.4127 16.6974 29.6217 13.8122 22.8658 -10.347 31.3645 -10.7354 7.93547 TIMING: 2686200 CPU: 8562.81, 0.00313079/step Wall: 8562.81, 0.00313079/step, 2.01223 hours remaining, 232.281250 MB of memory in use. ENERGY: 2686200 4034.9888 20686.7903 14346.7482 253.7267 -203165.7209 2067.8740 0.0000 0.0000 51898.5695 -109877.0233 298.2618 -161775.5928 -109515.4657 298.8503 89.3400 121.6196 759236.8589 3.5281 3.4628 PRESSURE: 2686400 -171.649 123.048 143.494 123.047 -281.124 157.315 143.494 157.316 -55.4079 GPRESSURE: 2686400 -126.621 -64.3275 69.6829 55.9255 -209.164 113.494 94.9895 106.295 -81.8199 PRESSAVG: 2686400 1.097 24.721 18.0931 24.721 26.9229 46.2926 18.0931 46.2927 -5.60745 GPRESSAVG: 2686400 0.487043 23.0903 20.2224 25.5882 29.5139 46.2056 19.7772 45.7597 -6.94047 TIMING: 2686400 CPU: 8563.44, 0.00314991/step Wall: 8563.44, 0.00314991/step, 2.02434 hours remaining, 232.281250 MB of memory in use. ENERGY: 2686400 3993.3072 20547.6557 14479.5826 247.5823 -203821.4976 2396.8074 0.0000 0.0000 52149.4902 -110007.0721 299.7038 -162156.5623 -109648.5223 298.9018 -169.3937 -139.2016 758532.8041 7.4708 7.6868 PRESSURE: 2686600 -84.2692 -42.5453 150.174 -42.5451 50.6755 99.3368 150.174 99.3363 60.1554 GPRESSURE: 2686600 27.1949 -82.2372 68.5003 -38.5305 -9.40618 10.7732 172.714 -25.515 117.748 PRESSAVG: 2686600 -0.30197 -55.8617 9.58714 -55.8617 -47.2344 17.1155 9.58717 17.1154 -6.99805 GPRESSAVG: 2686600 0.156071 -55.5018 7.83261 -55.3682 -47.8472 17.2365 10.3261 18.4481 -6.62004 TIMING: 2686600 CPU: 8564.07, 0.00316407/step Wall: 8564.07, 0.00316407/step, 2.03327 hours remaining, 232.281250 MB of memory in use. ENERGY: 2686600 3952.0138 20344.3313 14418.3787 250.2690 -203444.1667 2317.3695 0.0000 0.0000 52187.1150 -109974.6893 299.9201 -162161.8043 -109608.8359 298.5518 8.8539 45.1790 759675.9724 -18.1781 -18.1037 PRESSURE: 2686800 -110.421 -166.296 -84.891 -166.295 -65.7307 -49.3372 -84.8915 -49.3367 11.3333 GPRESSURE: 2686800 -90.8387 -82.6025 -44.9095 -16.0319 -21.7189 9.18535 -98.1979 -118.226 35.3875 PRESSAVG: 2686800 -19.404 7.88485 -16.8863 7.8848 -7.67151 32.9233 -16.8863 32.9232 17.5847 GPRESSAVG: 2686800 -19.3565 8.36685 -16.8181 10.3013 -8.44338 33.3007 -18.6075 32.089 18.4372 TIMING: 2686800 CPU: 8564.7, 0.0031517/step Wall: 8564.7, 0.0031517/step, 2.02514 hours remaining, 232.281250 MB of memory in use. ENERGY: 2686800 4024.2533 20449.3587 14444.6690 236.4416 -203731.0808 2378.9601 0.0000 0.0000 52114.0499 -110083.3480 299.5002 -162197.3979 -109724.5995 298.5577 -54.9394 -25.7234 758584.8307 -3.1636 -3.1209 PRESSURE: 2687000 52.4158 215.683 -46.3187 215.682 -242.933 292.536 -46.3192 292.535 -166.92 GPRESSURE: 2687000 196.309 160.967 -31.7078 235.281 -233.433 337.603 36.3646 314.802 -237.565 PRESSAVG: 2687000 0.699307 -4.12921 -29.0733 -4.12921 -0.82872 26.4796 -29.0733 26.4796 21.8956 GPRESSAVG: 2687000 2.09835 -4.46761 -27.2405 -5.38966 -1.4562 25.4846 -28.9788 30.0392 21.3129 TIMING: 2687000 CPU: 8565.33, 0.00315537/step Wall: 8565.33, 0.00315537/step, 2.02733 hours remaining, 232.281250 MB of memory in use. ENERGY: 2687000 4023.5202 20540.3430 14434.7989 231.0280 -203798.0654 2467.3036 0.0000 0.0000 52019.7138 -110081.3579 298.9580 -162101.0717 -109722.3495 298.6849 -119.1459 -91.5630 759361.9452 7.2554 7.3184 PRESSURE: 2687200 220.317 -163.827 4.95781 -163.828 -81.354 -43.1372 4.95773 -43.1378 136.2 GPRESSURE: 2687200 222.274 -25.9652 -36.9089 -213.889 -9.14698 -43.5294 -72.4723 -117.924 143.198 PRESSAVG: 2687200 -12.3564 -35.663 -2.3533 -35.663 11.7321 -1.57641 -2.35339 -1.57636 1.39834 GPRESSAVG: 2687200 -13.3459 -34.8372 -1.78311 -36.7423 13.0357 0.270054 -3.11547 -4.04962 0.679076 TIMING: 2687200 CPU: 8565.97, 0.00316444/step Wall: 8565.97, 0.00316444/step, 2.03298 hours remaining, 232.281250 MB of memory in use. ENERGY: 2687200 3982.9734 20618.0029 14334.1443 252.8266 -203446.0244 2373.6944 0.0000 0.0000 51955.6901 -109928.6926 298.5901 -161884.3827 -109571.4190 298.8775 91.7209 118.7751 760057.3416 0.2580 0.1230 PRESSURE: 2687400 32.701 -5.50786 91.8334 -5.50735 -198.109 -28.0196 91.8325 -28.0188 -23.2468 GPRESSURE: 2687400 12.8619 16.7612 87.3371 20.8094 -130.065 5.78254 156.589 -81.6433 8.05027 PRESSAVG: 2687400 7.80164 -12.3214 69.7102 -12.3214 -11.0366 6.94307 69.7102 6.94311 1.32988 GPRESSAVG: 2687400 7.35922 -13.4248 68.5617 -12.3851 -10.6474 7.05758 69.6299 8.14544 1.19497 TIMING: 2687400 CPU: 8566.6, 0.00318721/step Wall: 8566.6, 0.00318721/step, 2.04743 hours remaining, 232.281250 MB of memory in use. ENERGY: 2687400 3963.3904 20459.1966 14447.0866 250.5823 -203775.2696 2428.4274 0.0000 0.0000 51983.4048 -110243.1816 298.7493 -162226.5864 -109890.0372 298.8707 -62.8850 -36.3844 760329.2801 -0.6350 -0.6978 PRESSURE: 2687600 -63.2413 -71.2346 -113.928 -71.2353 130.002 275.975 -113.929 275.975 129.06 GPRESSURE: 2687600 -96.4192 -39.9761 -129.428 -1.0501 232.188 290.475 -93.6571 226.682 153.293 PRESSAVG: 2687600 -36.9037 -1.84907 -21.5281 -1.84911 1.20078 1.07694 -21.5281 1.07695 -24.4749 GPRESSAVG: 2687600 -39.3279 -1.66008 -21.0574 -0.79833 1.58642 -0.0767597 -21.3887 -0.249563 -23.024 TIMING: 2687600 CPU: 8567.24, 0.0031571/step Wall: 8567.24, 0.0031571/step, 2.02791 hours remaining, 232.281250 MB of memory in use. ENERGY: 2687600 4018.0953 20426.7229 14522.8055 250.2257 -203688.6051 2517.2250 0.0000 0.0000 51964.2421 -109989.2886 298.6392 -161953.5307 -109628.8965 298.2382 65.2737 96.3540 761037.1057 -20.0593 -20.2552 PRESSURE: 2687800 -184.911 0.938094 13.0655 0.93769 -48.8518 -134.979 13.0652 -134.979 -62.6413 GPRESSURE: 2687800 -105.771 -73.8348 58.3053 -34.58 -125.857 -94.5539 -34.5441 -32.3396 34.0084 PRESSAVG: 2687800 22.6507 -13.6007 6.63987 -13.6007 -41.2577 25.0623 6.63982 25.0623 6.63845 GPRESSAVG: 2687800 23.8629 -13.2934 5.53816 -13.874 -41.9431 26.8778 8.56654 24.1182 6.94761 TIMING: 2687800 CPU: 8567.87, 0.00316778/step Wall: 8567.87, 0.00316778/step, 2.03459 hours remaining, 232.281250 MB of memory in use. ENERGY: 2687800 3995.5384 20572.1439 14410.0314 230.4821 -203654.5082 2569.7194 0.0000 0.0000 51956.8362 -109919.7569 298.5967 -161876.5930 -109562.1574 298.4548 -98.8015 -65.8732 762012.7732 -3.9895 -3.7109 PRESSURE: 2688000 -190.772 -72.5247 -73.0708 -72.5248 -224.053 -178.989 -73.0711 -178.988 -20.0405 GPRESSURE: 2688000 -189.368 -65.1181 -62.3327 -75.666 -202.373 -247.272 -78.2233 -66.5099 37.6734 PRESSAVG: 2688000 -9.64212 -3.18168 -25.8298 -3.18173 7.35975 -15.2444 -25.8299 -15.2444 -16.1529 GPRESSAVG: 2688000 -7.7849 -4.79332 -26.1024 -3.54448 7.02428 -16.18 -25.855 -13.3154 -17.4759 TIMING: 2688000 CPU: 8568.5, 0.00315045/step Wall: 8568.5, 0.00315045/step, 2.02329 hours remaining, 232.281250 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: 2688000 4009.1576 20580.4727 14444.6273 249.4998 -203179.5251 2276.1843 0.0000 0.0000 52025.4400 -109594.1433 298.9909 -161619.5833 -109239.2197 299.0400 -144.9552 -118.0225 762469.7305 -6.1451 -6.0788 PRESSURE: 2688200 -406.203 95.6823 -269.757 95.6832 -83.3723 164.194 -269.757 164.193 238.413 GPRESSURE: 2688200 -492.82 170.641 -252.954 -14.4862 44.528 140.881 -221.163 230.827 296.345 PRESSAVG: 2688200 -18.12 13.8115 34.919 13.8114 -28.0785 26.239 34.919 26.239 0.211417 GPRESSAVG: 2688200 -18.9331 17.9788 34.9828 12.9657 -27.873 25.3344 33.269 26.7147 0.941963 TIMING: 2688200 CPU: 8569.13, 0.00316206/step Wall: 8569.13, 0.00316206/step, 2.03057 hours remaining, 232.281250 MB of memory in use. ENERGY: 2688200 3993.1677 20328.8514 14352.0273 227.9360 -203335.4327 2544.0759 0.0000 0.0000 52137.5765 -109751.7978 299.6354 -161889.3742 -109391.5412 299.2206 -83.7207 -50.6490 761302.5022 -15.3291 -15.2881 LDB: ============= START OF LOAD BALANCING ============== 8581.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8581.55 LDB: =============== DONE WITH MIGRATION ================ 8581.55 LDB: ============= START OF LOAD BALANCING ============== 8581.87 LDB: Largest compute 7024 load 0.034712 is 17.8% of average load 0.195363 LDB: Average compute 0.004383 is 2.2% of average load 0.195363 LDB: TIME 8581.87 LOAD: AVG 0.195363 MAX 0.215406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 8581.87 LOAD: AVG 0.195363 MAX 0.215406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 8581.87 LOAD: AVG 0.195363 MAX 0.215406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 8581.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8581.88 PRESSURE: 2688400 -236.258 -8.79066 176.892 -8.79047 -436.562 142.959 176.892 142.959 -152.772 GPRESSURE: 2688400 -254.072 48.6025 162.361 122.891 -329.897 59.211 68.43 204.66 -148.074 PRESSAVG: 2688400 -18.5145 -5.51442 35.3135 -5.51447 -18.3725 9.63345 35.3135 9.63344 -5.1836 GPRESSAVG: 2688400 -19.4425 -8.8583 36.3734 -3.18593 -19.3207 8.26688 36.1553 11.0053 -3.6451 TIMING: 2688400 CPU: 8569.78, 0.00321679/step Wall: 8569.78, 0.00321679/step, 2.06554 hours remaining, 234.585938 MB of memory in use. ENERGY: 2688400 3933.9341 20608.9414 14459.2727 242.2704 -203177.3004 2219.4754 0.0000 0.0000 51968.0469 -109745.3596 298.6611 -161713.4065 -109382.6969 299.4472 -275.1974 -244.0145 761956.6491 -14.0235 -14.1361 PRESSURE: 2688600 -103.38 -138.946 -168.666 -138.946 -35.8114 88.3767 -168.667 88.3766 -413.271 GPRESSURE: 2688600 -26.9748 -66.854 -132.581 -179.084 -26.7914 212.296 -80.7513 0.0516978 -388.238 PRESSAVG: 2688600 67.8979 22.2208 -49.2399 22.2208 -51.9853 -2.79563 -49.2399 -2.79557 -5.90584 GPRESSAVG: 2688600 67.0755 24.0296 -48.4186 19.7555 -50.5012 -1.00346 -51.3634 -3.31431 -6.87398 TIMING: 2688600 CPU: 8570.41, 0.00317815/step Wall: 8570.41, 0.00317815/step, 2.04055 hours remaining, 234.585938 MB of memory in use. ENERGY: 2688600 4006.4748 20556.3265 14473.6409 246.5573 -203435.5304 2464.7227 0.0000 0.0000 52078.6305 -109609.1777 299.2966 -161687.8082 -109253.5249 299.5648 -184.1539 -147.3348 760895.9150 3.3356 3.2335 PRESSURE: 2688800 85.6325 52.9292 -232.229 52.9289 214.485 23.7844 -232.23 23.7848 195.73 GPRESSURE: 2688800 162.46 80.8851 -189.05 39.5123 200.269 -20.5362 -109.701 90.1899 203.315 PRESSAVG: 2688800 -53.2737 -0.114946 -57.2263 -0.114969 -38.1101 17.7101 -57.2264 17.7102 -7.59639 GPRESSAVG: 2688800 -52.2857 -0.608472 -56.9689 -1.02341 -40.1326 17.56 -54.7487 17.1538 -6.20168 TIMING: 2688800 CPU: 8571.05, 0.00318274/step Wall: 8571.05, 0.00318274/step, 2.04332 hours remaining, 234.585938 MB of memory in use. ENERGY: 2688800 4029.6069 20682.5262 14466.4992 251.2601 -203581.2109 2361.1813 0.0000 0.0000 52106.2547 -109683.8826 299.4554 -161790.1373 -109320.8219 299.4929 165.2822 188.6814 760427.6123 -32.9934 -32.8733 PRESSURE: 2689000 293.553 -40.3182 -133.867 -40.3179 -23.8026 171.324 -133.866 171.324 46.0784 GPRESSURE: 2689000 264.881 -32.7669 -64.098 30.0683 38.5647 151.186 -286.95 205.216 81.161 PRESSAVG: 2689000 21.8629 4.16195 44.137 4.16188 -44.6055 -10.3211 44.137 -10.3211 -2.75297 GPRESSAVG: 2689000 22.3664 2.03816 44.4196 6.98638 -44.7586 -9.46419 41.5248 -12.5852 -3.85085 TIMING: 2689000 CPU: 8571.68, 0.00315004/step Wall: 8571.68, 0.00315004/step, 2.02215 hours remaining, 234.585938 MB of memory in use. ENERGY: 2689000 3963.3344 20662.0008 14456.9889 250.0052 -203511.2259 2523.0082 0.0000 0.0000 52025.7944 -109630.0940 298.9930 -161655.8884 -109263.5072 299.8389 105.2762 128.2022 760211.8279 -8.4985 -8.7477 PRESSURE: 2689200 -215.799 -137.509 336.788 -137.509 -195.984 93.252 336.787 93.2524 -166.87 GPRESSURE: 2689200 -221.923 -51.6655 307.631 -139.953 -163.319 116.733 203.025 143.54 -106.661 PRESSAVG: 2689200 58.9921 37.0864 3.51301 37.0864 -42.1771 -5.94197 3.51297 -5.94198 16.8173 GPRESSAVG: 2689200 57.8222 38.5529 3.35263 38.0321 -40.5337 -5.11554 3.41887 -3.8135 16.7739 TIMING: 2689200 CPU: 8572.31, 0.0031544/step Wall: 8572.31, 0.0031544/step, 2.02478 hours remaining, 234.585938 MB of memory in use. ENERGY: 2689200 3997.4470 20607.6488 14435.2438 258.9367 -203117.6070 1978.6611 0.0000 0.0000 52111.2243 -109728.4453 299.4839 -161839.6695 -109364.6123 299.6089 -192.8844 -163.9676 759591.7278 11.2107 11.3541 PRESSURE: 2689400 178.237 2.09153 -177.674 2.09099 -112.24 -8.6073 -177.675 -8.60705 -251.714 GPRESSURE: 2689400 185.974 26.1188 -243.036 71.7132 -78.5336 39.0521 -270.124 -3.92717 -209.286 PRESSAVG: 2689400 64.0065 57.9947 36.4174 57.9947 -33.1389 2.35075 36.4174 2.35073 -19.0074 GPRESSAVG: 2689400 65.09 57.1587 34.6596 58.4003 -34.7338 1.84318 38.417 1.99008 -18.6168 TIMING: 2689400 CPU: 8572.94, 0.00316043/step Wall: 8572.94, 0.00316043/step, 2.02847 hours remaining, 234.585938 MB of memory in use. ENERGY: 2689400 4041.2290 20585.4927 14514.9256 249.5022 -203716.2386 2597.8418 0.0000 0.0000 52046.0107 -109681.2367 299.1091 -161727.2474 -109325.0074 299.7300 -61.9059 -33.9483 759812.0280 3.9534 3.9131 PRESSURE: 2689600 -216.067 107.296 -7.20752 107.296 24.9366 14.9631 -7.20734 14.9626 -219.993 GPRESSURE: 2689600 -194.509 127.951 -51.6762 -7.48254 49.5955 -22.4968 76.558 -29.9387 -181.549 PRESSAVG: 2689600 28.7932 12.5507 -30.1809 12.5507 0.902065 12.0437 -30.1809 12.0438 -21.4388 GPRESSAVG: 2689600 29.381 12.831 -28.0811 10.1003 1.40823 11.3992 -29.7359 10.1461 -21.95 TIMING: 2689600 CPU: 8573.57, 0.00315435/step Wall: 8573.57, 0.00315435/step, 2.02439 hours remaining, 234.585938 MB of memory in use. ENERGY: 2689600 3995.0057 20662.5775 14419.7187 278.7245 -203476.7952 2259.1730 0.0000 0.0000 52185.8968 -109675.6990 299.9131 -161861.5958 -109313.8050 299.7710 -137.0409 -108.8206 758941.6792 2.7522 2.9464 PRESSURE: 2689800 170.126 -212.985 -139.417 -212.984 387.188 142.847 -139.417 142.846 686.228 GPRESSURE: 2689800 264.875 -202.988 -133.063 -129.994 424.83 159.353 -260.233 117.666 625.985 PRESSAVG: 2689800 63.2174 12.3474 -4.76449 12.3473 -49.3876 -8.04964 -4.76449 -8.04967 27.6644 GPRESSAVG: 2689800 62.4382 12.4749 -5.60168 12.6641 -48.3958 -6.77383 -5.1499 -6.81657 27.692 TIMING: 2689800 CPU: 8574.2, 0.00315846/step Wall: 8574.2, 0.00315846/step, 2.02686 hours remaining, 234.585938 MB of memory in use. ENERGY: 2689800 3913.1653 20520.3733 14469.6198 250.7152 -203634.3375 2588.6491 0.0000 0.0000 52468.9019 -109422.9129 301.5395 -161891.8148 -109058.7678 300.2615 414.5141 438.5638 757773.6866 13.8314 13.9115 PRESSURE: 2690000 -8.64137 -54.9531 217.601 -54.9526 -30.1851 221.32 217.6 221.319 -286.031 GPRESSURE: 2690000 -1.07182 -39.6557 118.747 -25.9838 4.37591 269.877 310.273 125.359 -230.395 PRESSAVG: 2690000 14.552 -39.0178 24.7099 -39.0178 -37.4328 63.6718 24.7098 63.6717 5.42344 GPRESSAVG: 2690000 14.3655 -40.5169 24.6798 -37.551 -36.3278 62.6034 23.2127 63.0848 5.13311 TIMING: 2690000 CPU: 8574.84, 0.00316336/step Wall: 8574.84, 0.00316336/step, 2.02982 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2690000 4048.1323 20391.2415 14450.0570 251.8933 -203339.2454 2354.2296 0.0000 0.0000 52262.3395 -109581.3522 300.3524 -161843.6916 -109222.9069 299.5239 -108.2859 -75.6969 760150.0699 -5.8191 -5.6097 PRESSURE: 2690200 -269.343 59.9436 214.453 59.9439 -281.556 -173.866 214.453 -173.866 -163.289 GPRESSURE: 2690200 -206.903 -36.2214 327.942 104.776 -348.209 -85.885 230.756 -87.9285 -97.3796 PRESSAVG: 2690200 -0.0731681 6.67631 18.6661 6.67634 -29.8836 20.2658 18.6661 20.2658 -23.1869 GPRESSAVG: 2690200 1.19873 5.97477 19.4331 4.88744 -32.6212 21.5363 21.3535 20.6547 -21.8975 TIMING: 2690200 CPU: 8575.47, 0.00315534/step Wall: 8575.47, 0.00315534/step, 2.0245 hours remaining, 234.585938 MB of memory in use. ENERGY: 2690200 3972.0089 20580.5271 14439.8411 239.7158 -202861.6093 2008.6552 0.0000 0.0000 52190.2607 -109430.6006 299.9381 -161620.8613 -109065.6406 299.7904 -238.0627 -217.4971 761506.7324 -17.7146 -17.7733 PRESSURE: 2690400 114.646 -165.442 -93.2525 -165.442 295.425 -12.346 -93.2531 -12.3459 275.377 GPRESSURE: 2690400 109.544 -97.0306 -195.874 -174.78 358.996 43.3879 -99.3012 -29.9738 297.661 PRESSAVG: 2690400 17.8131 16.6144 -30.4203 16.6144 12.7112 29.3832 -30.4203 29.3832 12.3269 GPRESSAVG: 2690400 17.3303 18.6243 -31.9603 15.6136 14.29 27.998 -31.9 30.1017 11.2309 TIMING: 2690400 CPU: 8576.1, 0.00317449/step Wall: 8576.1, 0.00317449/step, 2.03661 hours remaining, 234.585938 MB of memory in use. ENERGY: 2690400 3986.5747 20568.2036 14464.6400 243.2471 -203478.5379 2619.7642 0.0000 0.0000 52187.7925 -109408.3157 299.9240 -161596.1082 -109039.7197 299.6228 228.4825 255.4002 759457.8285 14.2837 14.2837 PRESSURE: 2690600 -290.018 -13.5834 35.6828 -13.5842 -190.49 -15.2666 35.6821 -15.2659 -494.577 GPRESSURE: 2690600 -202.822 51.8229 15.7057 -0.658212 -191.985 -77.4358 132.576 -44.2176 -477.202 PRESSAVG: 2690600 -5.37451 -20.0207 16.9067 -20.0207 -10.5681 12.0377 16.9068 12.0377 -2.66388 GPRESSAVG: 2690600 -4.54611 -18.6896 16.4602 -19.4314 -11.7888 13.3527 17.7511 10.2659 -2.26933 TIMING: 2690600 CPU: 8576.73, 0.00316216/step Wall: 8576.73, 0.00316216/step, 2.02852 hours remaining, 234.585938 MB of memory in use. ENERGY: 2690600 4050.8617 20456.4555 14452.8846 251.0233 -203044.6881 2116.1663 0.0000 0.0000 52178.6374 -109538.6592 299.8713 -161717.2966 -109175.5180 299.8542 -325.0282 -290.6697 761426.9166 -6.2022 -6.2014 PRESSURE: 2690800 -27.961 -60.7134 -26.1973 -60.7131 -598.265 461.894 -26.1975 461.895 -438.846 GPRESSURE: 2690800 16.3677 -103.789 0.838564 33.67 -581.308 436.336 -24.486 499.657 -423.2 PRESSAVG: 2690800 85.0881 -13.161 -5.38139 -13.1609 -103.366 7.06047 -5.38136 7.06048 19.1608 GPRESSAVG: 2690800 83.2945 -13.8079 -4.19046 -11.9359 -101.838 5.24215 -5.66475 7.55046 19.1057 TIMING: 2690800 CPU: 8577.36, 0.00314581/step Wall: 8577.36, 0.00314581/step, 2.01787 hours remaining, 234.585938 MB of memory in use. ENERGY: 2690800 4087.3120 20480.9205 14461.6830 265.3010 -202951.9891 2220.2904 0.0000 0.0000 52047.8372 -109388.6449 299.1196 -161436.4821 -109031.3179 299.4319 -355.0241 -329.3799 759836.6213 0.2943 0.1874 PRESSURE: 2691000 -205.608 93.0993 -45.7451 93.099 -198.888 -59.4184 -45.7448 -59.4181 -270.207 GPRESSURE: 2691000 -80.3086 46.4609 -85.1748 148.812 -278.269 -93.5286 -99.6387 -171.76 -224.987 PRESSAVG: 2691000 123.019 -16.5955 -20.3354 -16.5955 -121.008 28.9032 -20.3354 28.9032 9.30894 GPRESSAVG: 2691000 124.828 -17.3424 -20.7673 -16.7352 -123.119 30.2556 -20.3525 28.9809 9.603 TIMING: 2691000 CPU: 8577.99, 0.00314438/step Wall: 8577.99, 0.00314438/step, 2.01677 hours remaining, 234.585938 MB of memory in use. ENERGY: 2691000 4075.9840 20546.4667 14390.0883 245.8738 -203204.5519 2432.8767 0.0000 0.0000 52048.8866 -109464.3759 299.1257 -161513.2625 -109095.5430 299.7962 -224.9012 -194.5216 760395.5302 3.7734 3.7705 PRESSURE: 2691200 -99.7237 77.6889 149.323 77.6889 148.273 36.7274 149.322 36.7281 -105.665 GPRESSURE: 2691200 -131.348 -48.3022 177.935 -6.63298 183.716 -38.333 77.9075 -46.7539 -37.7548 PRESSAVG: 2691200 9.44 -28.999 60.5919 -28.999 10.365 -27.2055 60.592 -27.2054 -5.2763 GPRESSAVG: 2691200 9.34934 -29.3537 61.9511 -29.1807 11.782 -27.1349 60.3931 -28.3966 -5.8283 TIMING: 2691200 CPU: 8578.62, 0.00314882/step Wall: 8578.62, 0.00314882/step, 2.01944 hours remaining, 234.585938 MB of memory in use. ENERGY: 2691200 4084.2929 20556.6790 14451.9012 248.9843 -203343.2677 2640.2576 0.0000 0.0000 51945.4846 -109415.6681 298.5314 -161361.1527 -109059.7341 299.4677 -19.0384 4.8711 761433.3915 4.8429 5.1010 PRESSURE: 2691400 -130.939 -64.0297 -22.1063 -64.029 -147.773 40.467 -22.1066 40.4666 66.2853 GPRESSURE: 2691400 -157.543 -96.5107 -29.0351 34.4156 -63.6251 51.8877 85.7702 49.4153 83.718 PRESSAVG: 2691400 18.8483 -36.911 58.3154 -36.9109 -16.4146 -33.6225 58.3154 -33.6225 23.8974 GPRESSAVG: 2691400 16.6706 -37.9691 58.2791 -36.7823 -15.3908 -33.729 57.7006 -34.2312 24.5987 TIMING: 2691400 CPU: 8579.25, 0.00315993/step Wall: 8579.25, 0.00315993/step, 2.02639 hours remaining, 234.585938 MB of memory in use. ENERGY: 2691400 4036.3418 20400.6550 14444.6696 242.0583 -202850.6457 2226.0598 0.0000 0.0000 52327.8632 -109172.9981 300.7289 -161500.8613 -108815.8252 299.7765 -70.8090 -45.8167 761201.4030 8.7770 8.6262 PRESSURE: 2691600 -348.544 0.583611 152.63 0.582871 -281.719 240.373 152.631 240.373 85.5318 GPRESSURE: 2691600 -299.009 43.9199 155.029 -22.4667 -237.821 267.676 99.5311 129.334 79.7094 PRESSAVG: 2691600 -0.713663 76.9318 61.4757 76.9318 10.5122 -13.8363 61.4757 -13.8363 -16.1415 GPRESSAVG: 2691600 1.42792 78.9394 62.3116 76.5362 8.90409 -14.5962 62.8003 -13.3527 -17.2263 TIMING: 2691600 CPU: 8579.89, 0.00316441/step Wall: 8579.89, 0.00316441/step, 2.02909 hours remaining, 234.585938 MB of memory in use. ENERGY: 2691600 3997.7718 20470.4349 14450.2061 241.2572 -202711.9941 2239.8411 0.0000 0.0000 51803.9881 -109508.4949 297.7182 -161312.4830 -109151.0154 299.6426 -181.5769 -152.3735 763709.7915 -2.1143 -2.2981 PRESSURE: 2691800 391.819 -69.5955 76.08 -69.5952 -103.316 -67.9984 76.0812 -67.9981 286.106 GPRESSURE: 2691800 351.544 -53.5719 97.4074 -174.19 -11.9562 -136.598 116.878 95.4908 327.578 PRESSAVG: 2691800 -7.32172 -21.6681 56.7683 -21.668 32.0557 0.978929 56.7683 0.97887 -16.231 GPRESSAVG: 2691800 -8.65277 -23.3831 55.4283 -23.1879 33.115 1.17468 56.7862 2.06545 -16.4052 TIMING: 2691800 CPU: 8580.52, 0.00316066/step Wall: 8580.52, 0.00316065/step, 2.02651 hours remaining, 234.585938 MB of memory in use. ENERGY: 2691800 3981.1831 20336.2630 14408.6656 244.3138 -203506.1767 2795.7115 0.0000 0.0000 52094.2346 -109645.8050 299.3863 -161740.0397 -109277.7793 298.8257 191.5365 222.3886 758885.9556 2.8343 2.6857 PRESSURE: 2692000 -383.672 118.654 -179.965 118.652 -192.515 107.899 -179.966 107.9 -56.8728 GPRESSURE: 2692000 -292.295 53.4246 -180.393 135.448 -249.282 51.3573 -125.953 24.8257 -13.488 PRESSAVG: 2692000 89.0778 11.7557 18.5407 11.7557 -76.9391 29.5236 18.5407 29.5236 -9.44849 GPRESSAVG: 2692000 89.0202 12.3519 18.367 14.4196 -77.7357 29.9756 19.7394 29.1244 -8.97657 TIMING: 2692000 CPU: 8581.15, 0.00313835/step Wall: 8581.15, 0.00313835/step, 2.01203 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2692000 4027.6729 20423.9612 14488.4036 242.2080 -203016.7416 1972.1986 0.0000 0.0000 51896.7489 -109965.5483 298.2513 -161862.2972 -109612.3289 298.8705 -211.0198 -185.0216 760533.3192 0.8967 0.7693 PRESSURE: 2692200 153.033 29.0894 -239.515 29.0899 147.507 93.1126 -239.516 93.1126 67.6644 GPRESSURE: 2692200 104.712 25.3979 -163.742 30.1984 183.439 155.524 -344.522 -12.7012 158.289 PRESSAVG: 2692200 -8.3424 34.8832 36.8523 34.8832 41.9926 32.623 36.8523 32.6231 -4.16839 GPRESSAVG: 2692200 -8.14124 36.8709 38.8842 32.5046 42.0336 32.8684 35.8366 33.5502 -4.81083 TIMING: 2692200 CPU: 8581.78, 0.00318542/step Wall: 8581.78, 0.00318542/step, 2.04203 hours remaining, 234.585938 MB of memory in use. ENERGY: 2692200 3948.7547 20540.5156 14418.2877 256.7947 -203600.8382 2599.4904 0.0000 0.0000 52034.5891 -109802.4060 299.0435 -161836.9951 -109443.5731 298.7155 122.7348 148.8135 759973.1405 9.8273 9.6938 LDB: ============= START OF LOAD BALANCING ============== 8594.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8594.21 LDB: =============== DONE WITH MIGRATION ================ 8594.21 LDB: ============= START OF LOAD BALANCING ============== 8594.53 LDB: Largest compute 7033 load 0.033145 is 17.0% of average load 0.195501 LDB: Average compute 0.004389 is 2.2% of average load 0.195501 LDB: TIME 8594.53 LOAD: AVG 0.195501 MAX 0.21511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.648 MB LDB: TIME 8594.53 LOAD: AVG 0.195501 MAX 0.21511 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.812 MB LDB: TIME 8594.53 LOAD: AVG 0.195501 MAX 0.21511 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.812 MB LDB: ============== END OF LOAD BALANCING =============== 8594.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8594.54 PRESSURE: 2692400 190.355 -195.372 76.9394 -195.372 -24.4977 -29.7373 76.9396 -29.7386 230.282 GPRESSURE: 2692400 185.778 -63.523 195.838 -265.717 94.0469 -39.6631 -105.94 -162.597 204.846 PRESSAVG: 2692400 26.5203 12.6035 7.20487 12.6035 -56.9622 -16.7746 7.20483 -16.7746 0.185429 GPRESSAVG: 2692400 26.707 13.39 5.61071 13.5903 -58.4824 -17.3294 6.49901 -16.8561 1.96793 TIMING: 2692400 CPU: 8582.43, 0.00323371/step Wall: 8582.43, 0.00323371/step, 2.0728 hours remaining, 234.332031 MB of memory in use. ENERGY: 2692400 3969.9642 20436.1565 14465.4247 243.7767 -203683.3301 2705.2074 0.0000 0.0000 52066.0194 -109796.7812 299.2241 -161862.8006 -109433.8497 298.9635 132.0464 161.5570 759809.7574 -10.0855 -9.9358 PRESSURE: 2692600 -177.782 -36.0036 224.275 -36.004 -261.058 -199.666 224.274 -199.665 -604.482 GPRESSURE: 2692600 -206.728 -129.333 227.95 49.8355 -223.862 -193.209 215.36 -12.6839 -507.818 PRESSAVG: 2692600 9.10898 -52.8595 -3.75847 -52.8596 -59.9441 32.718 -3.75848 32.7181 7.7469 GPRESSAVG: 2692600 9.63341 -56.4835 -4.54682 -53.3187 -58.6679 32.7012 -2.96061 33.3422 6.12117 TIMING: 2692600 CPU: 8583.06, 0.00314955/step Wall: 8583.06, 0.00314955/step, 2.01869 hours remaining, 234.535156 MB of memory in use. ENERGY: 2692600 3991.2496 20465.7462 14463.5184 265.1847 -202931.3370 2120.7894 0.0000 0.0000 52068.8817 -109555.9670 299.2406 -161624.8487 -109195.4113 299.1469 -347.7740 -312.8026 760113.3967 -14.3627 -14.3045 PRESSURE: 2692800 -94.2617 131.737 81.7277 131.737 73.5972 -77.5828 81.7263 -77.5824 324.862 GPRESSURE: 2692800 -7.48064 190.438 33.0836 140.002 84.3464 -94.7072 143.809 -45.6816 321.812 PRESSAVG: 2692800 -6.74179 3.3067 75.6981 3.30672 3.73213 -32.2351 75.698 -32.2351 -9.48586 GPRESSAVG: 2692800 -6.59938 5.01116 76.6772 1.52441 3.93252 -31.6376 76.7589 -33.2317 -9.69158 TIMING: 2692800 CPU: 8583.69, 0.00314587/step Wall: 8583.69, 0.00314587/step, 2.01615 hours remaining, 234.605469 MB of memory in use. ENERGY: 2692800 3991.9616 20511.1467 14428.1366 261.3827 -203345.7874 2546.9563 0.0000 0.0000 52091.1022 -109515.1013 299.3683 -161606.2035 -109164.7650 299.3652 101.3991 132.8924 759100.9693 -4.1652 -4.1195 PRESSURE: 2693000 123.796 -158.92 164.102 -158.921 144.74 100.806 164.103 100.806 291.233 GPRESSURE: 2693000 158.593 8.09307 155.85 -152.187 200.495 147.995 268.458 -25.8042 302.541 PRESSAVG: 2693000 -35.932 5.02504 -11.9083 5.025 59.2286 -4.03379 -11.9082 -4.03382 6.12513 GPRESSAVG: 2693000 -36.1516 4.00325 -12.4618 7.14528 58.4777 -4.23935 -14.3591 -3.42242 6.31271 TIMING: 2693000 CPU: 8584.32, 0.00313222/step Wall: 8584.32, 0.00313222/step, 2.00723 hours remaining, 234.605469 MB of memory in use. ENERGY: 2693000 3911.4838 20626.1832 14472.6143 248.3219 -203206.7212 2538.8585 0.0000 0.0000 52174.1187 -109235.1408 299.8454 -161409.2595 -108876.2947 300.2246 186.5896 220.5428 759766.8421 9.8072 9.5462 PRESSURE: 2693200 -139.565 -15.642 -14.0537 -15.642 -60.863 41.2216 -14.0531 41.2217 96.5475 GPRESSURE: 2693200 -116.217 -0.090407 -34.6099 14.0872 33.8692 -68.0355 12.9214 -54.0098 68.9915 PRESSAVG: 2693200 -32.9712 59.2586 34.111 59.2586 20.7215 -4.23057 34.1111 -4.23046 -7.44162 GPRESSAVG: 2693200 -34.6001 60.846 33.3688 59.0377 21.5343 -5.03866 35.4795 -3.88621 -6.79819 TIMING: 2693200 CPU: 8584.94, 0.00313465/step Wall: 8584.94, 0.00313465/step, 2.00861 hours remaining, 234.605469 MB of memory in use. ENERGY: 2693200 3923.3854 20615.1939 14414.7512 243.7910 -203067.9295 2363.4030 0.0000 0.0000 52165.5163 -109341.8887 299.7959 -161507.4050 -108982.9195 299.6453 -34.6267 -4.4520 761060.9013 -6.5638 -6.6213 PRESSURE: 2693400 -6.20382 -150.662 15.9315 -150.662 131.101 300.032 15.9312 300.031 -444.578 GPRESSURE: 2693400 -36.5391 -206.905 38.3659 -150.59 204.546 274.988 111.358 199.633 -421.393 PRESSAVG: 2693400 -15.4016 -44.71 43.13 -44.71 -25.362 84.793 43.1299 84.7932 16.4565 GPRESSAVG: 2693400 -14.299 -46.4911 44.5979 -44.0159 -25.8057 83.6467 43.2207 85.8828 15.2535 TIMING: 2693400 CPU: 8585.57, 0.00315698/step Wall: 8585.57, 0.00315698/step, 2.02275 hours remaining, 234.605469 MB of memory in use. ENERGY: 2693400 3972.3249 20556.8850 14478.6703 242.0518 -202607.7395 2219.0770 0.0000 0.0000 51844.9947 -109293.7359 297.9539 -161138.7306 -108931.5547 299.8319 -106.5603 -84.4620 762682.2633 -8.1024 -8.2837 PRESSURE: 2693600 -251.314 -29.21 44.0447 -29.2096 -300.184 -60.9638 44.0451 -60.9634 -491.998 GPRESSURE: 2693600 -164.439 -169.865 -46.4028 62.3502 -336.805 -110.162 -41.8957 86.7566 -446.447 PRESSAVG: 2693600 18.8601 -11.8295 17.9451 -11.8295 -67.4983 36.7718 17.9451 36.7717 -28.009 GPRESSAVG: 2693600 18.3147 -9.29041 16.836 -13.1022 -68.6021 37.0372 18.6188 37.583 -26.8417 TIMING: 2693600 CPU: 8586.2, 0.00314954/step Wall: 8586.2, 0.00314954/step, 2.01781 hours remaining, 234.605469 MB of memory in use. ENERGY: 2693600 4013.8315 20660.1013 14390.8323 237.7614 -203164.6913 2301.9537 0.0000 0.0000 52227.2788 -109332.9323 300.1509 -161560.2112 -108966.9443 300.2340 -347.8318 -315.8970 762125.9996 -25.5491 -25.7097 PRESSURE: 2693800 -94.2334 178.72 188.957 178.72 -288.242 195.31 188.957 195.311 -243.304 GPRESSURE: 2693800 -77.9322 136.995 309.918 106.14 -212.869 231.43 188.49 148.582 -239.404 PRESSAVG: 2693800 22.381 -46.3557 33.0564 -46.3557 34.511 33.4444 33.0563 33.4443 7.62423 GPRESSAVG: 2693800 23.9113 -48.9629 35.3379 -45.8364 34.7417 35.6884 30.5731 30.991 6.11128 TIMING: 2693800 CPU: 8586.84, 0.00316411/step Wall: 8586.84, 0.00316411/step, 2.02696 hours remaining, 234.605469 MB of memory in use. ENERGY: 2693800 4085.7762 20435.1676 14470.5320 250.4073 -203031.4242 2339.8049 0.0000 0.0000 52224.2552 -109225.4809 300.1335 -161449.7361 -108868.1977 300.1893 -208.5932 -176.7348 760195.4072 21.5054 21.5881 PRESSURE: 2694000 213.457 -199.82 191.718 -199.82 -181.846 -76.1942 191.718 -76.1944 92.1674 GPRESSURE: 2694000 261.658 -253.247 235.874 -266.717 -114.948 -110.403 231.964 -111.679 53.2226 PRESSAVG: 2694000 26.6224 -83.208 11.2612 -83.208 -28.108 -7.63994 11.2612 -7.63994 16.7476 GPRESSAVG: 2694000 24.6393 -79.3879 9.64115 -84.2467 -26.7758 -8.63184 11.7025 -7.19972 16.7855 TIMING: 2694000 CPU: 8587.47, 0.00315581/step Wall: 8587.47, 0.00315581/step, 2.02147 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2694000 3983.7033 20464.0993 14447.4831 230.4554 -203232.6478 2504.0025 0.0000 0.0000 52323.1781 -109279.7261 300.7020 -161602.9042 -108917.9954 300.2939 41.2594 66.6443 761278.0509 5.0873 4.8830 PRESSURE: 2694200 215.909 -178.069 -105.581 -178.07 -14.71 72.3318 -105.58 72.3316 140.114 GPRESSURE: 2694200 304.515 -174.252 -134.112 -237.942 -38.9726 127.314 -58.8878 -27.2689 144.113 PRESSAVG: 2694200 27.4983 -74.2854 3.77605 -74.2853 -21.4658 -3.23576 3.7761 -3.23575 -2.92831 GPRESSAVG: 2694200 29.5605 -79.5623 3.85244 -72.3505 -22.4775 -3.49517 4.1731 -5.24919 -3.23415 TIMING: 2694200 CPU: 8588.1, 0.00316239/step Wall: 8588.1, 0.00316239/step, 2.02551 hours remaining, 234.675781 MB of memory in use. ENERGY: 2694200 3993.1544 20618.8885 14517.2226 250.2698 -203420.1961 2583.9172 0.0000 0.0000 52215.0234 -109241.7203 300.0805 -161456.7436 -108885.8184 299.8864 113.7710 136.5518 759972.8205 1.0347 1.2829 PRESSURE: 2694400 30.1716 31.0562 -133.171 31.0555 -14.0497 -87.5711 -133.171 -87.5703 22.7644 GPRESSURE: 2694400 17.0472 6.74922 -203.173 -41.4171 143.91 -99.8566 -160.385 -103.678 -38.8054 PRESSAVG: 2694400 8.93818 -70.4795 43.6934 -70.4794 -25.8592 -13.5149 43.6934 -13.515 -8.0155 GPRESSAVG: 2694400 6.57444 -67.9181 44.2422 -71.9819 -24.9348 -11.9073 42.3005 -11.6372 -6.95634 TIMING: 2694400 CPU: 8588.73, 0.00315883/step Wall: 8588.73, 0.00315883/step, 2.02306 hours remaining, 234.675781 MB of memory in use. ENERGY: 2694400 3964.4113 20558.4056 14480.0774 240.7994 -203016.5663 2371.0862 0.0000 0.0000 52215.4633 -109186.3231 300.0830 -161401.7864 -108816.7913 300.5769 12.9621 40.7172 759806.2803 -8.3122 -8.4389 PRESSURE: 2694600 -45.353 120.893 -23.828 120.893 192.177 4.82602 -23.8286 4.82538 105.908 GPRESSURE: 2694600 7.15531 157.506 -87.6151 61.4693 177.693 46.9912 125.27 -36.3894 160.285 PRESSAVG: 2694600 10.0288 -23.6867 26.4412 -23.6866 -24.7673 -25.5963 26.4413 -25.5963 -0.76717 GPRESSAVG: 2694600 11.1537 -24.3661 27.094 -21.4362 -26.1309 -27.1974 28.8611 -23.2182 -0.561131 TIMING: 2694600 CPU: 8589.36, 0.00316/step Wall: 8589.36, 0.00316/step, 2.02363 hours remaining, 234.675781 MB of memory in use. ENERGY: 2694600 4031.3515 20518.6904 14512.7890 240.0085 -203363.9848 2590.8005 0.0000 0.0000 52094.0715 -109376.2734 299.3853 -161470.3449 -109019.7067 300.0260 84.2437 115.0444 759452.5020 -5.1685 -5.1795 PRESSURE: 2694800 -579.347 -97.6978 57.7087 -97.6978 -130.232 36.6802 57.7072 36.6792 -159.301 GPRESSURE: 2694800 -556.521 -83.6145 -10.4563 -46.9431 -187.513 8.62733 -80.9221 15.8706 -20.283 PRESSAVG: 2694800 3.49117 -7.89228 14.7365 -7.89226 1.04172 41.1424 14.7364 41.1425 2.83749 GPRESSAVG: 2694800 3.87174 -8.63863 15.1047 -8.26315 1.11536 42.1804 11.6326 36.5388 2.20794 TIMING: 2694800 CPU: 8589.99, 0.00315004/step Wall: 8589.99, 0.00315004/step, 2.01708 hours remaining, 234.675781 MB of memory in use. ENERGY: 2694800 3988.8103 20569.3194 14444.4928 244.8328 -203102.8416 2423.9160 0.0000 0.0000 52095.8344 -109335.6359 299.3955 -161431.4702 -108974.0940 300.4838 -289.6266 -254.7724 762777.6477 2.4568 2.3983 PRESSURE: 2695000 -112.61 -117.739 -16.9216 -117.739 -168.048 -141.597 -16.9224 -141.596 89.3364 GPRESSURE: 2695000 -64.7032 -62.7304 58.633 -131.561 -152.187 -108.46 -37.9683 28.281 114.855 PRESSAVG: 2695000 -1.72984 -18.6717 -9.96311 -18.6716 42.7214 10.1114 -9.96314 10.1114 9.66547 GPRESSAVG: 2695000 -2.4559 -18.5589 -9.20681 -19.5427 41.5888 8.74069 -8.39017 14.2435 10.8353 TIMING: 2695000 CPU: 8590.63, 0.00315402/step Wall: 8590.63, 0.00315402/step, 2.01945 hours remaining, 234.675781 MB of memory in use. ENERGY: 2695000 4011.0189 20399.5700 14499.5029 256.0587 -203350.4762 2514.2530 0.0000 0.0000 52288.5860 -109381.4867 300.5032 -161670.0727 -109019.9833 300.2275 -63.7740 -34.0116 760827.2955 16.8857 16.6561 PRESSURE: 2695200 3.58966 -1.40457 27.7063 -1.40502 55.0574 4.7619 27.7068 4.76134 -81.1318 GPRESSURE: 2695200 -12.5025 -82.6254 -21.0966 -91.9288 113.622 -14.916 74.6885 36.0044 -35.4859 PRESSAVG: 2695200 -37.1655 -80.2058 -14.2227 -80.2058 -1.25984 -33.3847 -14.2227 -33.3847 8.86616 GPRESSAVG: 2695200 -37.8976 -80.2469 -15.6896 -80.0234 0.0284009 -32.7694 -12.8253 -37.1289 8.27067 TIMING: 2695200 CPU: 8591.26, 0.00315821/step Wall: 8591.26, 0.00315821/step, 2.02196 hours remaining, 234.675781 MB of memory in use. ENERGY: 2695200 4056.9269 20469.7730 14396.5079 249.5790 -203540.1239 2552.9867 0.0000 0.0000 52380.4571 -109433.8932 301.0312 -161814.3503 -109064.0822 299.9771 -7.4949 21.8779 762248.9902 -9.8530 -9.8662 PRESSURE: 2695400 -252.43 -261.686 -202.167 -261.686 -212.901 21.567 -202.167 21.5666 -131.585 GPRESSURE: 2695400 -207.115 -260.448 -201.298 -268.847 -206.14 -1.04402 -248.566 -71.6939 -132.503 PRESSAVG: 2695400 -36.3002 -62.663 48.7142 -62.663 56.1893 -28.7662 48.7142 -28.7663 -1.30059 GPRESSAVG: 2695400 -36.7739 -63.2061 49.4716 -61.7218 54.8414 -29.6326 46.9735 -26.6498 0.0817921 TIMING: 2695400 CPU: 8591.89, 0.00315386/step Wall: 8591.89, 0.00315386/step, 2.019 hours remaining, 234.746094 MB of memory in use. ENERGY: 2695400 3989.4410 20416.2346 14403.7108 238.3562 -202824.1591 2235.8472 0.0000 0.0000 52077.5202 -109463.0491 299.2902 -161540.5692 -109086.9176 300.0289 -198.9721 -181.9194 763124.5976 6.1962 6.0498 PRESSURE: 2695600 -38.6629 -8.2738 -89.306 -8.27448 -78.5417 -172.061 -89.3064 -172.062 264.684 GPRESSURE: 2695600 29.0704 26.1609 -73.4458 -87.5579 -91.2613 -159.234 -86.5655 -92.401 301.582 PRESSAVG: 2695600 -13.2138 -31.8262 -31.1904 -31.8263 18.3725 -13.9781 -31.1904 -13.978 -0.0179786 GPRESSAVG: 2695600 -12.5028 -30.3412 -32.4574 -32.5244 20.2321 -13.4673 -28.0771 -12.0922 -2.30458 TIMING: 2695600 CPU: 8592.52, 0.00315343/step Wall: 8592.52, 0.00315343/step, 2.01854 hours remaining, 234.746094 MB of memory in use. ENERGY: 2695600 4029.8758 20527.4573 14389.5040 225.5985 -203090.5805 2302.9748 0.0000 0.0000 52015.4517 -109599.7183 298.9335 -161615.1700 -109229.7792 299.7150 49.1597 79.7970 760222.0794 1.7136 1.8082 PRESSURE: 2695800 238.075 -36.0864 95.8843 -36.0867 122.364 140.655 95.8846 140.655 -87.083 GPRESSURE: 2695800 171.391 -30.7474 65.3037 -27.0416 232.17 79.8804 223.99 136.157 -47.2914 PRESSAVG: 2695800 13.8501 -29.4535 -8.96698 -29.4535 8.04074 46.3625 -8.96698 46.3625 6.92519 GPRESSAVG: 2695800 13.4246 -28.6556 -8.79255 -29.4292 7.7136 46.9042 -11.3714 43.5343 6.87223 TIMING: 2695800 CPU: 8593.15, 0.0031717/step Wall: 8593.15, 0.0031717/step, 2.03007 hours remaining, 234.746094 MB of memory in use. ENERGY: 2695800 3954.7416 20697.9393 14425.8899 247.0032 -203608.9291 2468.1908 0.0000 0.0000 52304.6490 -109510.5151 300.5955 -161815.1641 -109135.1884 299.8641 91.1187 118.7565 760612.0460 9.6054 9.3368 PRESSURE: 2696000 387.539 -171.408 74.6371 -171.408 51.5563 53.6024 74.6362 53.603 -185.623 GPRESSURE: 2696000 376.928 -281.11 113.997 -148.238 119.577 71.8985 -127.543 57.99 -170.037 PRESSAVG: 2696000 -0.879555 -34.7212 -39.3398 -34.7213 -15.1728 -13.3674 -39.3398 -13.3673 13.6636 GPRESSAVG: 2696000 -0.550175 -36.1985 -37.6994 -35.1994 -16.0768 -14.493 -37.6549 -10.0051 13.9617 TIMING: 2696000 CPU: 8593.79, 0.00317516/step Wall: 8593.79, 0.00317516/step, 2.0321 hours remaining, 234.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2696000 4031.4623 20467.2403 14446.8398 228.6644 -203691.9966 2854.5591 0.0000 0.0000 52093.8569 -109569.3739 299.3841 -161663.2308 -109202.6490 299.9851 84.4910 108.8228 760000.6650 -0.7963 -0.8884 PRESSURE: 2696200 224.698 43.1472 -132.562 43.1469 -3.08115 -161.132 -132.561 -161.133 -136.467 GPRESSURE: 2696200 266.465 6.64913 -138.175 42.743 2.29336 -123.685 -60.66 -168.042 -87.1487 PRESSAVG: 2696200 -6.80286 -52.3701 -0.891582 -52.3701 -30.1776 -13.8655 -0.891528 -13.8656 28.0783 GPRESSAVG: 2696200 -7.45865 -52.7438 -2.63707 -51.1874 -29.9194 -12.4716 -1.67121 -15.8711 28.6614 TIMING: 2696200 CPU: 8594.42, 0.00316103/step Wall: 8594.42, 0.00316103/step, 2.02289 hours remaining, 234.746094 MB of memory in use. ENERGY: 2696200 3974.4438 20533.9846 14418.2685 239.2293 -203329.1534 2427.2557 0.0000 0.0000 52166.9709 -109569.0008 299.8043 -161735.9716 -109205.0298 299.4159 28.3830 60.5366 758103.8762 -2.9674 -2.9056 LDB: ============= START OF LOAD BALANCING ============== 8606.84 LDB: ============== END OF LOAD BALANCING =============== 8606.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8606.84 LDB: ============= START OF LOAD BALANCING ============== 8607.16 LDB: Largest compute 7032 load 0.033545 is 17.2% of average load 0.195448 LDB: Average compute 0.004408 is 2.3% of average load 0.195448 LDB: TIME 8607.16 LOAD: AVG 0.195448 MAX 0.214008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.633 MB LDB: TIME 8607.16 LOAD: AVG 0.195448 MAX 0.214008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 8607.16 LOAD: AVG 0.195448 MAX 0.214008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 8607.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8607.17 PRESSURE: 2696400 -156.674 -246.769 85.0329 -246.77 -20.5456 91.2152 85.0328 91.2176 -500.841 GPRESSURE: 2696400 -205.325 -283.746 32.8217 -289.032 41.7379 78.9754 70.7172 -15.1048 -420.41 PRESSAVG: 2696400 -22.1895 -34.7006 -0.58472 -34.7006 30.4799 -26.5091 -0.584743 -26.5092 1.90686 GPRESSAVG: 2696400 -21.8281 -34.6977 0.754005 -34.1676 31.3791 -27.0124 -2.09629 -27.6358 1.37018 TIMING: 2696400 CPU: 8595.06, 0.00322158/step Wall: 8595.06, 0.00322158/step, 2.06145 hours remaining, 233.359375 MB of memory in use. ENERGY: 2696400 3939.8136 20507.6034 14489.7483 240.6085 -203734.1997 2706.1660 0.0000 0.0000 52250.5632 -109599.6966 300.2847 -161850.2598 -109240.4998 299.8018 -226.0202 -194.6657 758872.8411 3.3991 3.6404 PRESSURE: 2696600 126.061 -0.64573 74.3545 -0.645962 -176.576 -214.271 74.3545 -214.273 194.576 GPRESSURE: 2696600 152.917 -73.4357 102.017 50.9792 -157.133 -16.8489 182.598 -224.13 226.437 PRESSAVG: 2696600 50.5453 -36.4624 -23.3698 -36.4624 0.398748 -50.2147 -23.3698 -50.2147 12.817 GPRESSAVG: 2696600 51.6344 -38.0103 -24.0845 -37.8586 0.124535 -51.2243 -23.9311 -48.9943 11.1183 TIMING: 2696600 CPU: 8595.69, 0.00314001/step Wall: 8595.69, 0.00314001/step, 2.00908 hours remaining, 233.359375 MB of memory in use. ENERGY: 2696600 4001.9000 20437.7347 14513.9248 249.8740 -203259.5447 2480.9474 0.0000 0.0000 52001.9405 -109573.2234 298.8559 -161575.1639 -109219.8161 299.4502 48.0201 74.0736 760571.3506 21.2537 20.9591 PRESSURE: 2696800 -396.099 -285.049 197.279 -285.051 -333.242 -188.802 197.279 -188.801 -312.033 GPRESSURE: 2696800 -334.068 -100.258 222.295 -158.052 -295.366 -183.242 205.845 -125.693 -321.339 PRESSAVG: 2696800 56.3448 -43.0468 -47.0227 -43.0468 -60.4257 -30.0263 -47.0228 -30.0264 -26.2609 GPRESSAVG: 2696800 54.3121 -42.7846 -46.3908 -41.2691 -59.9297 -29.6517 -45.8825 -28.6941 -24.8867 TIMING: 2696800 CPU: 8596.32, 0.00313859/step Wall: 8596.32, 0.00313859/step, 2.008 hours remaining, 233.359375 MB of memory in use. ENERGY: 2696800 4058.8878 20588.8032 14434.8013 244.2058 -203098.6246 2441.6395 0.0000 0.0000 52148.3046 -109181.9824 299.6970 -161330.2870 -108825.1432 300.2599 -347.1248 -316.9245 761134.8433 -10.1139 -10.1681 PRESSURE: 2697000 177.009 95.7107 185.034 95.711 -1.70962 65.4945 185.033 65.4946 196.961 GPRESSURE: 2697000 199.19 25.8858 58.955 -29.908 58.3685 25.3566 181.09 9.04147 205.188 PRESSAVG: 2697000 25.5612 -33.1577 23.3546 -33.1577 -12.1689 46.2321 23.3547 46.2322 2.02773 GPRESSAVG: 2697000 26.4577 -31.2868 21.6511 -34.624 -12.2841 47.133 24.1139 43.3855 1.72279 TIMING: 2697000 CPU: 8596.95, 0.00316433/step Wall: 8596.95, 0.00316433/step, 2.0243 hours remaining, 233.359375 MB of memory in use. ENERGY: 2697000 3921.4659 20570.2764 14434.7016 246.4754 -202923.1982 2347.3272 0.0000 0.0000 52215.6979 -109187.2538 300.0843 -161402.9517 -108826.8800 300.0867 124.0865 154.2488 761480.2551 5.1400 5.2988 PRESSURE: 2697200 -61.0801 7.49825 88.1169 7.49838 -304.288 271.093 88.1176 271.093 -103.201 GPRESSURE: 2697200 -51.2234 19.7688 144.414 -52.1556 -190.362 233.801 167.689 237.031 -119.745 PRESSAVG: 2697200 -48.6822 -14.6021 10.226 -14.602 7.8077 14.25 10.2259 14.25 12.4857 GPRESSAVG: 2697200 -48.1666 -16.6408 11.0148 -14.0022 6.96556 13.6672 9.84977 14.877 12.8342 TIMING: 2697200 CPU: 8597.59, 0.00317536/step Wall: 8597.59, 0.00317536/step, 2.03117 hours remaining, 233.359375 MB of memory in use. ENERGY: 2697200 3933.5612 20611.4485 14411.3538 259.4806 -202619.6998 2008.0554 0.0000 0.0000 52342.8650 -109052.9353 300.8152 -161395.8004 -108694.2751 300.0714 -156.1896 -120.4433 761690.1435 -9.4629 -9.4556 PRESSURE: 2697400 -398.812 -25.6279 154.966 -25.6288 -92.6147 14.8503 154.967 14.8524 99.8714 GPRESSURE: 2697400 -471.162 19.2735 187.158 -72.9081 -48.6851 -30.0821 37.2356 -48.551 208.624 PRESSAVG: 2697400 34.6071 -31.534 22.6547 -31.534 -5.60261 -47.5031 22.6547 -47.5031 2.80838 GPRESSAVG: 2697400 33.8108 -30.4348 23.613 -33.7429 -6.00176 -47.1153 22.9117 -47.4524 3.45768 TIMING: 2697400 CPU: 8598.22, 0.00318106/step Wall: 8598.22, 0.00318106/step, 2.03464 hours remaining, 233.359375 MB of memory in use. ENERGY: 2697400 4074.5451 20626.1092 14504.4100 254.5184 -203210.2230 2497.3105 0.0000 0.0000 52141.6885 -109111.6414 299.6590 -161253.3298 -108753.8694 300.2417 -130.5185 -103.7409 760759.0278 10.6043 10.4223 PRESSURE: 2697600 143.976 77.6028 -276.955 77.6023 -93.0616 -224.843 -276.955 -224.844 398.754 GPRESSURE: 2697600 209.096 116.368 -250.352 34.5422 -117.407 -170.065 -279.296 -297.124 457.738 PRESSAVG: 2697600 76.0642 -71.8748 -44.0755 -71.8747 -29.1063 43.9471 -44.0755 43.9471 4.23657 GPRESSAVG: 2697600 77.7662 -71.3357 -44.8918 -71.6172 -29.4692 46.2939 -43.998 44.0311 3.19999 TIMING: 2697600 CPU: 8598.86, 0.00319707/step Wall: 8598.86, 0.00319707/step, 2.0447 hours remaining, 233.359375 MB of memory in use. ENERGY: 2697600 4006.9434 20406.1203 14493.4684 235.4312 -203109.3199 2325.1059 0.0000 0.0000 52571.2938 -109070.9568 302.1279 -161642.2507 -108704.6127 300.8541 149.8893 183.1422 759187.1297 17.0648 17.1657 PRESSURE: 2697800 -117.512 -241.083 -11.4882 -241.083 -106.969 161.649 -11.4876 161.649 -2.37149 GPRESSURE: 2697800 -20.8389 -169.009 16.2857 -275.19 -114.75 113.574 -4.68701 225.406 -3.49252 PRESSAVG: 2697800 52.3814 -79.6699 20.9605 -79.6699 -47.2563 -24.0567 20.9605 -24.0567 13.4433 GPRESSAVG: 2697800 52.1445 -77.7284 21.5209 -78.3319 -46.8511 -26.0553 21.0704 -24.1494 13.2244 TIMING: 2697800 CPU: 8599.5, 0.00317861/step Wall: 8599.5, 0.00317861/step, 2.03272 hours remaining, 233.359375 MB of memory in use. ENERGY: 2697800 3977.6321 20600.7355 14476.7359 254.0759 -203200.1010 2548.0785 0.0000 0.0000 52132.2401 -109210.6030 299.6047 -161342.8431 -108857.0413 300.6141 -75.6173 -46.3604 759612.1350 6.1895 6.1726 PRESSURE: 2698000 -386.63 176.668 60.6268 176.668 -272.77 144.314 60.6264 144.314 -352.693 GPRESSURE: 2698000 -340.454 100.897 81.0668 163.124 -260.764 84.6136 -35.2331 209.656 -314.37 PRESSAVG: 2698000 9.5489 -51.0811 4.80049 -51.0811 -30.0525 36.3232 4.80056 36.3231 -21.6891 GPRESSAVG: 2698000 8.67154 -55.7574 2.8241 -50.1961 -29.9563 36.0157 4.57467 36.7404 -21.2495 TIMING: 2698000 CPU: 8600.13, 0.0031635/step Wall: 8600.13, 0.0031635/step, 2.02288 hours remaining, 233.359375 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: 2698000 4037.3154 20651.3469 14375.7507 252.6440 -203223.2600 2336.8299 0.0000 0.0000 52384.8885 -109184.4847 301.0567 -161569.3732 -108821.6657 300.5524 -337.3643 -305.1961 761110.2429 -14.0642 -14.1781 PRESSURE: 2698200 -48.4706 21.3126 -23.8791 21.3122 -261.122 -36.3594 -23.8793 -36.3586 33.1977 GPRESSURE: 2698200 15.6134 -105.67 -75.1221 128.099 -253.7 53.905 25.5765 -57.2417 56.2948 PRESSAVG: 2698200 -4.05817 -49.8125 7.38581 -49.8124 -56.2885 -4.37253 7.38583 -4.37256 19.5525 GPRESSAVG: 2698200 -3.7376 -47.1137 9.50614 -50.0919 -56.5389 -2.43286 6.55746 -6.37258 19.7012 TIMING: 2698200 CPU: 8600.76, 0.00315982/step Wall: 8600.76, 0.00315982/step, 2.02036 hours remaining, 233.359375 MB of memory in use. ENERGY: 2698200 4032.8746 20541.7198 14515.0586 257.2119 -202868.9310 2338.6282 0.0000 0.0000 52152.7340 -109030.7040 299.7225 -161183.4380 -108671.1716 300.6256 -92.1315 -60.5972 760675.7800 -13.5981 -13.5251 PRESSURE: 2698400 -368.373 4.26828 1.42651 4.26797 99.9023 -195.935 1.42666 -195.935 -264.275 GPRESSURE: 2698400 -292.79 -1.51645 -73.7996 -4.90647 53.663 -200.364 -97.5587 -138.67 -198.938 PRESSAVG: 2698400 -38.9399 37.3613 40.3998 37.3613 8.44701 -17.7394 40.3998 -17.7394 7.77391 GPRESSAVG: 2698400 -39.97 37.2254 40.0374 37.8776 9.46731 -18.3131 40.6071 -16.1915 7.72237 TIMING: 2698400 CPU: 8601.4, 0.00319229/step Wall: 8601.4, 0.00319229/step, 2.04094 hours remaining, 233.359375 MB of memory in use. ENERGY: 2698400 4081.1634 20704.2229 14411.1108 259.4357 -203293.4545 2408.9577 0.0000 0.0000 52300.4953 -109128.0686 300.5717 -161428.5639 -108763.6845 300.6540 -177.5821 -146.0216 761642.4017 -7.5730 -7.5934 PRESSURE: 2698600 -122.146 30.493 -448.864 30.4936 -246.222 -12.5995 -448.864 -12.5998 -189.285 GPRESSURE: 2698600 -45.232 98.8545 -426.841 100.511 -225.563 -25.9833 -388.166 -73.4139 -206.993 PRESSAVG: 2698600 -5.66506 -57.854 -25.74 -57.854 -21.5726 -17.0231 -25.7401 -17.0231 10.3592 GPRESSAVG: 2698600 -4.55123 -58.5263 -26.0855 -58.3376 -22.1669 -18.3354 -25.4361 -17.2831 9.8615 TIMING: 2698600 CPU: 8602.04, 0.00320746/step Wall: 8602.04, 0.00320746/step, 2.05046 hours remaining, 233.359375 MB of memory in use. ENERGY: 2698600 4099.6632 20687.9451 14458.0044 236.0047 -203168.9284 2317.7986 0.0000 0.0000 52065.5551 -109303.9573 299.2215 -161369.5123 -108938.7712 300.2864 -185.8843 -159.2625 760338.2332 -5.6262 -5.6189 PRESSURE: 2698800 -181.304 194.914 99.8169 194.914 52.5428 -132.004 99.8167 -132.005 -300.242 GPRESSURE: 2698800 -188.084 139.304 154.253 174.381 66.4633 -145.716 -14.1598 -147.032 -234.029 PRESSAVG: 2698800 62.2695 9.13164 6.83926 9.13156 -12.2186 -3.52286 6.83926 -3.52279 -5.41317 GPRESSAVG: 2698800 61.3973 9.85762 7.76723 10.4308 -12.6075 -3.03304 4.66917 -2.37301 -4.45618 TIMING: 2698800 CPU: 8602.68, 0.0032009/step Wall: 8602.68, 0.0032009/step, 2.04608 hours remaining, 233.359375 MB of memory in use. ENERGY: 2698800 4077.9518 20758.5600 14452.2037 242.0768 -203335.7475 2408.6055 0.0000 0.0000 52367.7912 -109028.5587 300.9584 -161396.3499 -108668.9253 300.3882 -143.0009 -118.5499 758981.1390 14.8792 14.7779 PRESSURE: 2699000 -95.99 237.94 16.4775 237.94 -352.02 224.75 16.4783 224.749 85.4121 GPRESSURE: 2699000 -73.9563 256.788 18.213 267.003 -345.397 265.646 106.574 152.557 134.413 PRESSAVG: 2699000 -26.9024 12.3784 7.86926 12.3784 24.6249 -1.46116 7.86934 -1.46113 18.3709 GPRESSAVG: 2699000 -26.7194 10.295 6.29304 11.3414 24.2309 -1.91423 9.7388 -1.73674 18.0222 TIMING: 2699000 CPU: 8603.31, 0.00314087/step Wall: 8603.31, 0.00314087/step, 2.00754 hours remaining, 233.359375 MB of memory in use. ENERGY: 2699000 4035.4237 20674.6193 14408.7502 263.5837 -202904.1956 2311.7517 0.0000 0.0000 52269.3818 -108940.6852 300.3929 -161210.0670 -108575.5663 301.2641 -120.8660 -94.9799 761410.3352 5.3645 5.1779 PRESSURE: 2699200 -334.555 137.972 220.915 137.971 -107.23 65.9937 220.914 65.9936 105.063 GPRESSURE: 2699200 -209.451 107.158 291.637 138.856 -154.743 -19.5983 39.1414 11.9031 138.494 PRESSAVG: 2699200 -14.6832 -26.1155 9.59652 -26.1155 65.6927 21.774 9.59647 21.774 -17.5034 GPRESSAVG: 2699200 -15.1203 -24.2385 9.11823 -26.6063 66.9697 23.4291 10.0795 19.5437 -18.3901 TIMING: 2699200 CPU: 8603.94, 0.00316149/step Wall: 8603.94, 0.00316149/step, 2.02054 hours remaining, 233.359375 MB of memory in use. ENERGY: 2699200 4039.5034 20513.6009 14417.4557 257.3002 -202780.0831 2262.9128 0.0000 0.0000 52097.4848 -109191.8255 299.4050 -161289.3102 -108843.9848 300.6987 -112.2406 -75.2334 760922.9836 11.1687 11.1531 PRESSURE: 2699400 167.253 -58.4554 121.064 -58.455 461.562 -1.3988 121.064 -1.39947 231.752 GPRESSURE: 2699400 235.466 -148.395 57.4223 -45.4152 376.036 40.0251 157.678 -41.3538 327.209 PRESSAVG: 2699400 -18.1303 -23.4792 -10.6815 -23.4791 40.1036 25.6773 -10.6815 25.6773 -14.0177 GPRESSAVG: 2699400 -17.9688 -23.0417 -8.67436 -19.988 39.0919 24.6579 -11.2106 26.6433 -13.7935 TIMING: 2699400 CPU: 8604.58, 0.00316096/step Wall: 8604.58, 0.00316096/step, 2.02003 hours remaining, 233.359375 MB of memory in use. ENERGY: 2699400 4002.8759 20496.6738 14426.6746 254.6735 -203770.9616 2728.1796 0.0000 0.0000 52727.7548 -109134.1294 303.0271 -161861.8842 -108773.4828 300.5249 286.8556 312.9037 759670.6799 2.6518 2.4432 PRESSURE: 2699600 -14.4362 -162.336 -65.291 -162.335 -190.575 -180.712 -65.2906 -180.712 -196.403 GPRESSURE: 2699600 -26.617 -97.5363 -58.0129 -191.015 -123.824 -121.043 -86.8506 -130.15 -149.703 PRESSAVG: 2699600 -45.3376 -5.56005 52.1904 -5.56014 34.5429 -37.2939 52.1904 -37.294 -1.20729 GPRESSAVG: 2699600 -45.7959 -5.32791 51.0743 -7.46298 35.9579 -38.1054 50.603 -36.0195 -1.34473 TIMING: 2699600 CPU: 8605.21, 0.00315771/step Wall: 8605.21, 0.00315771/step, 2.01778 hours remaining, 233.359375 MB of memory in use. ENERGY: 2699600 4007.7010 20718.0715 14443.8542 254.9455 -203046.2106 2436.9602 0.0000 0.0000 51945.8251 -109238.8530 298.5334 -161184.6781 -108877.0677 300.3306 -133.8046 -100.0480 762246.3688 -4.0007 -3.7276 PRESSURE: 2699800 -263.157 -150.986 -156.661 -150.986 191.985 60.0174 -156.662 60.0172 127.602 GPRESSURE: 2699800 -261.965 -215.681 -120.556 -163.968 211.051 -69.4541 -210.935 113.969 173.222 PRESSAVG: 2699800 -25.1312 -12.8156 -16.751 -12.8157 -20.2321 -4.19767 -16.751 -4.19762 -8.73631 GPRESSAVG: 2699800 -25.6031 -11.1778 -16.4576 -12.7079 -20.8553 -3.48786 -14.7565 -3.62816 -8.02786 TIMING: 2699800 CPU: 8605.84, 0.00315014/step Wall: 8605.84, 0.00315014/step, 2.01276 hours remaining, 233.359375 MB of memory in use. ENERGY: 2699800 3951.7285 20662.1848 14343.8028 228.4529 -203062.6474 2429.6739 0.0000 0.0000 52127.6113 -109319.1932 299.5781 -161446.8045 -108973.9449 300.4535 18.8097 40.7692 760298.8079 -18.0332 -18.1621 PRESSURE: 2700000 52.4812 -261.284 -65.8015 -261.283 -102.337 -33.05 -65.8016 -33.0499 4.87327 GPRESSURE: 2700000 139.51 -328.509 -12.6491 -234.733 -105.1 -65.9544 -10.1518 -22.4065 9.91032 PRESSAVG: 2700000 18.1099 -12.1122 7.76281 -12.1122 -35.5728 39.7783 7.7628 39.7784 9.85056 GPRESSAVG: 2700000 19.9799 -12.852 9.647 -11.2183 -35.4164 40.3272 7.54468 38.8102 8.86678 TIMING: 2700000 CPU: 8606.47, 0.00316807/step Wall: 8606.47, 0.00316807/step, 2.02404 hours remaining, 233.359375 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: 2700000 3968.8215 20564.4305 14401.7816 254.2918 -203384.1016 2669.0700 0.0000 0.0000 52237.3403 -109288.3658 300.2087 -161525.7061 -108916.4289 300.0547 -14.9943 14.7734 762686.5410 -2.5375 -2.1899 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.4.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 60.5316 -27.8713 106.541 -27.8718 190.247 38.1046 106.541 38.1054 107.697 GPRESSURE: 2700200 115.197 -11.8383 102.284 -1.50391 221.019 66.732 104.076 168.391 115.469 PRESSAVG: 2700200 11.7945 -86.7248 -31.3485 -86.7247 11.2928 55.2338 -31.3485 55.2339 -14.5327 GPRESSAVG: 2700200 10.5087 -84.6415 -32.6756 -89.5257 11.0208 54.4736 -31.3707 56.6639 -12.679 TIMING: 2700200 CPU: 8607.12, 0.00324748/step Wall: 8607.12, 0.00324748/step, 2.0746 hours remaining, 233.359375 MB of memory in use. ENERGY: 2700200 3958.0001 20393.3320 14410.6590 240.4108 -202895.4331 2552.9139 0.0000 0.0000 51983.8274 -109356.2900 298.7518 -161340.1174 -108993.7675 300.3789 119.4919 150.5617 762683.1330 2.8515 2.9501 LDB: ============= START OF LOAD BALANCING ============== 8619.54 LDB: ============== END OF LOAD BALANCING =============== 8619.54 LDB: =============== DONE WITH MIGRATION ================ 8619.54 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8619.86 LDB: Largest compute 7047 load 0.033431 is 17.1% of average load 0.195414 LDB: Average compute 0.004399 is 2.3% of average load 0.195414 LDB: TIME 8619.86 LOAD: AVG 0.195414 MAX 0.214656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.77 MB LDB: TIME 8619.86 LOAD: AVG 0.195414 MAX 0.214656 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: TIME 8619.86 LOAD: AVG 0.195414 MAX 0.214656 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: ============== END OF LOAD BALANCING =============== 8619.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8619.87 PRESSURE: 2700400 7.76309 93.1563 77.7511 93.1566 44.8166 -140.95 77.751 -140.95 -238.077 GPRESSURE: 2700400 52.8761 61.2312 46.886 20.9024 43.121 -118.064 111.756 -53.3282 -196.993 PRESSAVG: 2700400 30.7577 -97.3357 59.6226 -97.3357 14.0739 -2.15811 59.6226 -2.15813 33.5332 GPRESSAVG: 2700400 31.1683 -98.2185 61.277 -94.5325 13.605 -2.36691 58.3823 -3.87937 33.9322 TIMING: 2700400 CPU: 8607.76, 0.0032105/step Wall: 8607.76, 0.0032105/step, 2.0508 hours remaining, 233.160156 MB of memory in use. ENERGY: 2700400 3983.1473 20440.2882 14530.0335 265.5084 -202942.5465 2315.5618 0.0000 0.0000 52065.5438 -109342.4635 299.2214 -161408.0072 -108976.4158 299.7899 -61.8325 -33.6655 760170.5123 26.1216 26.2352 PRESSURE: 2700600 36.4367 113.278 141.812 113.278 -99.8315 -298.23 141.812 -298.23 72.1003 GPRESSURE: 2700600 3.43728 68.8188 174.679 90.8144 -12.6972 -286.965 101.953 -177.138 88.433 PRESSAVG: 2700600 -3.5394 -38.6122 -7.01005 -38.6122 27.1016 -23.223 -7.0101 -23.223 0.89356 GPRESSAVG: 2700600 -2.93033 -40.5372 -8.65738 -39.5916 27.7306 -22.9682 -5.71758 -23.959 -0.433203 TIMING: 2700600 CPU: 8608.39, 0.00315592/step Wall: 8608.39, 0.00315592/step, 2.01575 hours remaining, 233.363281 MB of memory in use. ENERGY: 2700600 4075.3629 20441.5994 14373.8743 242.7770 -203090.1977 2337.7495 0.0000 0.0000 52058.0669 -109560.7676 299.1784 -161618.8345 -109194.7921 299.6492 2.9018 26.3910 760384.4763 8.1519 8.1224 PRESSURE: 2700800 -63.3403 115.561 -72.3239 115.56 -54.7459 294.976 -72.3245 294.975 119.512 GPRESSURE: 2700800 -10.9994 176.759 -55.7186 58.6093 -48.7247 257.756 -69.7423 246.774 149.299 PRESSAVG: 2700800 -34.9653 -23.763 19.833 -23.7629 25.5376 28.1738 19.833 28.1738 7.91827 GPRESSAVG: 2700800 -35.2476 -22.43 20.7575 -23.6001 24.8377 29.1074 18.9758 29.5359 8.56175 TIMING: 2700800 CPU: 8609.02, 0.00315228/step Wall: 8609.02, 0.00315228/step, 2.01326 hours remaining, 233.363281 MB of memory in use. ENERGY: 2700800 3985.3875 20386.3404 14477.3220 247.8858 -203541.6617 2535.0717 0.0000 0.0000 52351.3477 -109558.3067 300.8639 -161909.6543 -109192.2015 299.5052 0.4754 29.8581 759250.7950 -0.5031 -0.6160 PRESSURE: 2701000 161.564 9.11599 171.921 9.11567 -162.25 -136.031 171.921 -136.031 47.317 GPRESSURE: 2701000 91.2958 16.8083 210.793 -19.3203 -116.659 -108.01 222.164 -157.092 140.486 PRESSAVG: 2701000 -4.54273 -13.2342 48.3935 -13.2341 8.09603 1.41289 48.3935 1.4129 22.1098 GPRESSAVG: 2701000 -5.80349 -13.9012 48.0716 -13.5778 10.1982 0.127103 49.2199 1.97131 21.55 TIMING: 2701000 CPU: 8609.66, 0.00317173/step Wall: 8609.66, 0.00317173/step, 2.0255 hours remaining, 233.363281 MB of memory in use. ENERGY: 2701000 3963.4870 20504.8049 14453.6227 239.5606 -203236.2626 2473.0062 0.0000 0.0000 51937.5555 -109664.2258 298.4858 -161601.7813 -109306.1167 299.9403 15.5436 38.3744 758989.4564 8.5544 8.6482 PRESSURE: 2701200 169.293 -215.239 173.032 -215.239 80.2484 -30.9492 173.032 -30.9497 268.826 GPRESSURE: 2701200 208.33 -102.271 111.179 -274.195 179.671 -96.1835 152.966 -52.7756 208.509 PRESSAVG: 2701200 2.62714 -46.6704 -31.4332 -46.6704 -18.2913 10.4833 -31.4332 10.4832 4.83089 GPRESSAVG: 2701200 4.39911 -46.4355 -33.5491 -47.1833 -19.3146 11.1277 -30.0827 9.40937 4.26234 TIMING: 2701200 CPU: 8610.29, 0.0031745/step Wall: 8610.29, 0.0031745/step, 2.0271 hours remaining, 233.363281 MB of memory in use. ENERGY: 2701200 3999.0321 20578.4585 14441.2147 242.4545 -203478.6624 2399.9852 0.0000 0.0000 52165.9222 -109651.5953 299.7983 -161817.5175 -109290.9158 299.5715 172.7892 198.8366 759621.5700 -3.6111 -3.5511 PRESSURE: 2701400 87.7084 16.5224 286.311 16.5229 341.014 44.6862 286.311 44.6863 -112.818 GPRESSURE: 2701400 15.6667 48.1672 222.451 51.4462 480.882 52.6834 237.918 36.5267 -73.2423 PRESSAVG: 2701400 -29.0193 -42.3469 13.9695 -42.347 43.1255 -13.3443 13.9695 -13.3443 22.6645 GPRESSAVG: 2701400 -30.2695 -43.7208 14.7555 -39.3221 44.2036 -14.0736 12.6156 -10.5845 23.3828 TIMING: 2701400 CPU: 8610.93, 0.00316766/step Wall: 8610.93, 0.00316766/step, 2.02255 hours remaining, 233.363281 MB of memory in use. ENERGY: 2701400 3972.9533 20651.9804 14444.6227 241.8703 -203807.3147 2676.8286 0.0000 0.0000 52041.2382 -109777.8213 299.0817 -161819.0595 -109415.3918 299.4936 105.3014 141.1021 758976.0537 12.2569 12.4390 PRESSURE: 2701600 49.2133 3.99823 33.1867 3.99825 -86.991 62.4536 33.1873 62.4543 74.8528 GPRESSURE: 2701600 87.8983 -60.8604 18.8244 0.196194 -30.3436 71.403 103.124 -65.9692 82.385 PRESSAVG: 2701600 15.5635 -16.6983 -33.2525 -16.6983 3.65106 -16.986 -33.2525 -16.9859 -10.7696 GPRESSAVG: 2701600 17.1742 -15.3044 -33.0996 -19.0505 1.68703 -18.4115 -33.2168 -19.4894 -11.0058 TIMING: 2701600 CPU: 8611.56, 0.00317331/step Wall: 8611.56, 0.00317331/step, 2.02598 hours remaining, 233.363281 MB of memory in use. ENERGY: 2701600 4016.6466 20746.6114 14442.4170 246.1148 -203605.3063 2529.4722 0.0000 0.0000 51933.8519 -109690.1925 298.4646 -161624.0444 -109345.0424 299.4820 12.3584 46.6466 760138.5137 2.8150 2.6185 PRESSURE: 2701800 6.96143 54.4285 -72.7635 54.4289 311.222 -141.167 -72.7636 -141.166 282.79 GPRESSURE: 2701800 95.8753 5.40478 14.8513 89.6517 327.014 -158.428 -65.6997 -79.3736 262.896 PRESSAVG: 2701800 -31.4591 -34.3271 12.8731 -34.3271 -12.0321 10.5114 12.873 10.5114 -21.6103 GPRESSAVG: 2701800 -31.1436 -35.715 13.659 -34.602 -12.1896 12.5774 12.3901 10.1699 -22.808 TIMING: 2701800 CPU: 8612.2, 0.00317083/step Wall: 8612.2, 0.00317083/step, 2.02423 hours remaining, 233.363281 MB of memory in use. ENERGY: 2701800 3932.9668 20404.7153 14426.5344 251.7421 -203626.9567 2703.8550 0.0000 0.0000 52103.1410 -109804.0022 299.4375 -161907.1432 -109440.3298 299.1861 200.3243 228.5952 760052.7935 -21.7005 -22.0471 PRESSURE: 2702000 128.917 93.2807 -140.463 93.2804 399.595 -145.078 -140.462 -145.079 220.053 GPRESSURE: 2702000 186.692 129.735 -193.711 95.0217 423.821 -155.989 -154.184 -144.781 230.464 PRESSAVG: 2702000 28.0416 -3.74285 2.053 -3.74282 -16.8422 -32.3537 2.053 -32.3537 19.9499 GPRESSAVG: 2702000 28.1547 -3.86147 3.13105 -1.49072 -16.1111 -33.6247 1.75944 -33.7428 19.1241 TIMING: 2702000 CPU: 8612.83, 0.00317665/step Wall: 8612.83, 0.00317665/step, 2.02776 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2702000 4047.5677 20678.4073 14501.9408 245.3756 -203834.2077 2911.9228 0.0000 0.0000 51976.4426 -109472.5509 298.7093 -161448.9934 -109119.3058 299.6975 249.5218 280.3257 760548.2898 10.3831 10.3892 PRESSURE: 2702200 -56.1071 23.304 -49.9983 23.303 -28.036 -3.90637 -49.9984 -3.90755 -265.091 GPRESSURE: 2702200 -130.483 37.9073 -4.60166 77.6042 74.4721 -126.669 -113.069 -53.0565 -187.921 PRESSAVG: 2702200 19.7684 -2.23829 41.0391 -2.23836 -4.38681 11.0179 41.0391 11.0178 -21.8138 GPRESSAVG: 2702200 18.2934 -0.402429 40.3379 -4.61155 -3.85833 12.2985 41.1895 11.438 -20.2002 TIMING: 2702200 CPU: 8613.47, 0.00316767/step Wall: 8613.47, 0.00316767/step, 2.02185 hours remaining, 233.363281 MB of memory in use. ENERGY: 2702200 4068.8724 20651.8381 14453.7344 258.9314 -203684.7812 2530.6983 0.0000 0.0000 52217.5137 -109503.1929 300.0948 -161720.7066 -109143.5114 299.9047 -116.4114 -81.3104 760179.2140 -2.1441 -1.9217 PRESSURE: 2702400 -132.343 -61.8278 47.1451 -61.8274 240.771 88.8997 47.1446 88.8995 230.731 GPRESSURE: 2702400 -66.5122 19.5585 96.2825 45.3184 249.419 5.94299 13.3791 113.752 234.75 PRESSAVG: 2702400 11.8892 -30.3136 -4.38804 -30.3136 -2.9891 -24.1711 -4.38808 -24.1711 -1.06866 GPRESSAVG: 2702400 13.1391 -29.3261 -3.28559 -31.741 -3.58991 -26.3854 -4.82043 -25.5055 -1.20928 TIMING: 2702400 CPU: 8614.1, 0.00316195/step Wall: 8614.1, 0.00316195/step, 2.01802 hours remaining, 233.363281 MB of memory in use. ENERGY: 2702400 3979.5616 20625.4026 14487.1266 253.6295 -204098.3664 2903.0789 0.0000 0.0000 52278.6121 -109570.9552 300.4459 -161849.5673 -109209.6057 299.9782 113.0529 139.2190 759879.7307 2.6105 2.7800 PRESSURE: 2702600 -31.0447 -223.948 97.8656 -223.948 -144.511 -37.4296 97.8657 -37.4288 67.3657 GPRESSURE: 2702600 84.7413 -141.795 21.885 -172.703 -254.448 -22.7846 89.5167 154.494 134.04 PRESSAVG: 2702600 10.0648 -55.6764 39.0644 -55.6764 -22.7121 -48.019 39.0644 -48.0191 2.95354 GPRESSAVG: 2702600 10.5185 -58.1055 37.4541 -53.8695 -23.6756 -47.6031 39.9459 -46.1184 3.444 TIMING: 2702600 CPU: 8614.73, 0.00316775/step Wall: 8614.73, 0.00316775/step, 2.02155 hours remaining, 233.363281 MB of memory in use. ENERGY: 2702600 4093.9570 20308.5491 14515.2003 241.5949 -203455.9506 2415.5186 0.0000 0.0000 52293.8710 -109587.2596 300.5336 -161881.1307 -109218.7163 299.9670 -36.0632 -11.8888 759616.7054 -3.2313 -3.2377 PRESSURE: 2702800 -217.703 -12.9655 -26.4699 -12.966 -256.476 -31.2923 -26.4689 -31.2924 -413.414 GPRESSURE: 2702800 -139.664 98.8742 -84.96 132.876 -161.781 -42.1271 78.1565 -169.03 -472.048 PRESSAVG: 2702800 -62.4909 8.97227 86.2647 8.97225 34.5169 -53.0018 86.2647 -53.0018 0.0408531 GPRESSAVG: 2702800 -62.1504 9.83551 86.5429 10.1687 34.8247 -51.9802 87.8276 -53.2419 -0.86385 TIMING: 2702800 CPU: 8615.36, 0.00316444/step Wall: 8615.36, 0.00316444/step, 2.01926 hours remaining, 233.363281 MB of memory in use. ENERGY: 2702800 4114.0322 20456.2403 14500.7960 254.1228 -203500.8601 2377.4385 0.0000 0.0000 52169.8684 -109628.3618 299.8210 -161798.2303 -109269.6157 299.4377 -295.8642 -257.8309 760823.3823 -9.3111 -9.3965 PRESSURE: 2703000 416.722 -127.002 298.721 -127.002 299.709 64.0965 298.721 64.0967 -163.943 GPRESSURE: 2703000 364.551 -149.002 211.245 -89.8895 396.946 62.8276 234.296 51.4569 -129.844 PRESSAVG: 2703000 -48.3924 -25.5096 64.5904 -25.5096 62.53 -16.4902 64.5903 -16.4901 -13.0441 GPRESSAVG: 2703000 -49.6424 -25.6142 64.7022 -28.8849 63.9428 -15.433 62.9383 -17.9979 -13.2727 TIMING: 2703000 CPU: 8616, 0.00317319/step Wall: 8616, 0.00317319/step, 2.02467 hours remaining, 233.363281 MB of memory in use. ENERGY: 2703000 3988.0309 20573.7478 14491.7573 255.1616 -203867.0166 2795.3054 0.0000 0.0000 52332.8626 -109430.1510 300.7577 -161763.0136 -109071.5544 299.7588 184.1629 210.5512 759790.3157 0.3645 0.3426 PRESSURE: 2703200 -81.0416 40.6393 -174.223 40.64 -45.4087 47.9862 -174.223 47.9858 142.869 GPRESSURE: 2703200 49.6335 -30.7363 -138.118 -59.9165 -63.4107 26.9885 -144.529 28.7303 114.257 PRESSAVG: 2703200 19.8919 8.27449 50.6976 8.27452 16.5623 -16.4315 50.6977 -16.4314 -14.6859 GPRESSAVG: 2703200 20.0577 6.55457 50.177 9.09362 15.9041 -18.5518 51.9435 -13.7306 -13.893 TIMING: 2703200 CPU: 8616.63, 0.00316845/step Wall: 8616.63, 0.00316845/step, 2.02147 hours remaining, 233.363281 MB of memory in use. ENERGY: 2703200 4069.7323 20576.0153 14502.9446 231.5072 -203350.1854 2456.3490 0.0000 0.0000 52076.5624 -109437.0746 299.2847 -161513.6370 -109078.4144 299.7530 5.4728 33.4931 758453.6558 7.2561 7.3563 PRESSURE: 2703400 55.4906 185.739 127.893 185.739 -228.372 153.984 127.893 153.985 235.834 GPRESSURE: 2703400 58.9814 136.805 195.731 199.889 -186.052 268.89 42.1172 -4.71639 254.431 PRESSAVG: 2703400 6.6168 -24.3418 -6.96497 -24.3417 8.12468 -16.8268 -6.965 -16.8268 12.2687 GPRESSAVG: 2703400 7.09601 -23.5434 -5.61785 -23.4311 7.21065 -15.386 -9.47057 -19.4984 12.2615 TIMING: 2703400 CPU: 8617.26, 0.00313591/step Wall: 8617.26, 0.00313591/step, 2.00053 hours remaining, 233.363281 MB of memory in use. ENERGY: 2703400 4069.4056 20535.8794 14405.4981 243.4628 -203646.9888 2722.4647 0.0000 0.0000 51951.0727 -109719.2055 298.5635 -161670.2782 -109358.0241 299.2805 20.9843 42.4534 761184.4950 9.0034 8.8560 PRESSURE: 2703600 133.163 -289.26 -45.0276 -289.261 95.8805 3.80792 -45.0267 3.80743 211.553 GPRESSURE: 2703600 280.291 -236.426 -53.4083 -219.58 -16.1601 36.491 2.86756 -54.1317 269.324 PRESSAVG: 2703600 -9.22624 -24.7651 20.7957 -24.7652 -10.1927 -72.7957 20.7957 -72.7957 -16.6905 GPRESSAVG: 2703600 -9.13603 -25.5129 18.7972 -24.7197 -9.89704 -73.6762 21.7117 -71.1524 -16.7699 TIMING: 2703600 CPU: 8617.89, 0.00313486/step Wall: 8617.89, 0.00313486/step, 1.99969 hours remaining, 233.363281 MB of memory in use. ENERGY: 2703600 3990.7792 20370.1046 14441.0399 244.9347 -203680.6576 2566.0658 0.0000 0.0000 52428.0938 -109639.6396 301.3050 -162067.7334 -109265.6390 299.1021 146.8652 177.8180 760549.5647 -12.0365 -11.9343 PRESSURE: 2703800 -345.814 19.3045 103.195 19.3055 -305.237 0.372332 103.195 0.372419 -143.813 GPRESSURE: 2703800 -323.649 -101.652 34.9755 -42.6742 -222.727 -32.0264 5.49153 2.06838 -173.908 PRESSAVG: 2703800 54.8293 -40.3447 24.2648 -40.3447 -51.9342 -27.9988 24.2648 -27.9989 -11.2612 GPRESSAVG: 2703800 54.1468 -39.9948 25.8357 -41.3616 -51.2516 -27.4542 21.5613 -27.7296 -11.0102 TIMING: 2703800 CPU: 8618.52, 0.00314927/step Wall: 8618.52, 0.00314927/step, 2.00871 hours remaining, 233.363281 MB of memory in use. ENERGY: 2703800 4076.9274 20440.6906 14478.1313 252.1740 -203019.9609 2343.2558 0.0000 0.0000 51739.1272 -109689.6546 297.3455 -161428.7818 -109323.6942 299.2778 -264.9547 -240.0945 760895.2733 -2.7887 -2.7050 PRESSURE: 2704000 -98.275 191.483 -134.606 191.483 -212.304 -186.373 -134.606 -186.374 279.038 GPRESSURE: 2704000 -43.4304 241.631 -113.33 278.785 -171.636 -175.506 -112.761 -161.25 249.717 PRESSAVG: 2704000 -0.36525 16.8805 -5.75818 16.8804 2.37557 -49.6832 -5.75825 -49.6831 33.0047 GPRESSAVG: 2704000 -0.633307 15.2942 -4.96025 19.5889 3.24411 -50.3934 -3.93779 -50.2492 31.6213 TIMING: 2704000 CPU: 8619.15, 0.00315581/step Wall: 8619.15, 0.00315581/step, 2.01271 hours remaining, 233.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2704000 3954.3611 20289.2707 14420.6307 228.9959 -203170.1492 2386.6919 0.0000 0.0000 52265.6321 -109624.5667 300.3713 -161890.1988 -109252.8315 298.4419 -10.5137 11.5502 759069.5156 11.6717 11.4107 PRESSURE: 2704200 -287.218 16.5304 56.3764 16.5301 -169.285 -78.9361 56.376 -78.936 -4.98395 GPRESSURE: 2704200 -147.802 50.7804 19.4104 82.4 -243.457 -66.865 27.387 73.5688 27.0695 PRESSAVG: 2704200 6.37829 52.7144 7.31828 52.7145 -2.8112 3.60148 7.31825 3.60143 7.18799 GPRESSAVG: 2704200 8.03532 56.1582 7.56016 49.5561 -3.76241 3.7152 6.18382 3.64866 6.69983 TIMING: 2704200 CPU: 8619.78, 0.00315647/step Wall: 8619.78, 0.00315647/step, 2.01295 hours remaining, 233.363281 MB of memory in use. ENERGY: 2704200 4037.5722 20441.6648 14455.7732 243.8026 -203338.6688 2559.1594 0.0000 0.0000 52144.9706 -109455.7259 299.6779 -161600.6965 -109099.1909 299.8152 -153.8291 -121.3965 760177.2637 3.5850 3.6576 LDB: ============= START OF LOAD BALANCING ============== 8632.2 LDB: ============== END OF LOAD BALANCING =============== 8632.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8632.2 LDB: ============= START OF LOAD BALANCING ============== 8632.52 LDB: Largest compute 7033 load 0.032892 is 16.8% of average load 0.195338 LDB: Average compute 0.004404 is 2.3% of average load 0.195338 LDB: TIME 8632.52 LOAD: AVG 0.195338 MAX 0.216536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234 MB LDB: TIME 8632.52 LOAD: AVG 0.195338 MAX 0.216536 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: TIME 8632.52 LOAD: AVG 0.195338 MAX 0.216536 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: ============== END OF LOAD BALANCING =============== 8632.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8632.53 PRESSURE: 2704400 12.2968 -109.704 -76.1793 -109.705 -100.948 -12.0368 -76.18 -12.0369 -28.262 GPRESSURE: 2704400 11.6218 -128.741 -103.449 -19.2553 12.3538 106.305 -47.7306 -53.3702 -53.4644 PRESSAVG: 2704400 -32.9012 -47.442 12.1184 -47.442 12.3878 21.5825 12.1184 21.5825 7.67409 GPRESSAVG: 2704400 -34.0853 -49.4636 11.7327 -43.5806 12.992 21.9095 12.4247 20.2498 8.52966 TIMING: 2704400 CPU: 8620.43, 0.00323094/step Wall: 8620.43, 0.00323094/step, 2.06026 hours remaining, 234.128906 MB of memory in use. ENERGY: 2704400 3969.3317 20445.8949 14415.4109 250.9961 -202795.9067 2127.9233 0.0000 0.0000 52173.5443 -109412.8056 299.8421 -161586.3499 -109052.3820 299.1189 -38.9712 -9.8296 760269.7925 -4.2798 -4.1879 PRESSURE: 2704600 -30.4509 10.0083 -88.7393 10.0092 -160.272 40.6266 -88.739 40.6266 -38.7668 GPRESSURE: 2704600 34.0975 26.6074 -10.3055 -116.068 -127.543 72.2567 2.22348 -25.6375 -55.0889 PRESSAVG: 2704600 -6.70422 -58.8256 20.8402 -58.8256 -28.9404 -0.194316 20.8402 -0.194325 14.668 GPRESSAVG: 2704600 -5.25064 -58.1504 20.5695 -61.8694 -29.7096 -0.047444 22.9871 0.416281 14.2899 TIMING: 2704600 CPU: 8621.06, 0.00317525/step Wall: 8621.06, 0.00317525/step, 2.02458 hours remaining, 234.457031 MB of memory in use. ENERGY: 2704600 3980.0596 20555.1161 14440.1127 261.9528 -203231.3880 2305.9312 0.0000 0.0000 52270.3194 -109417.8963 300.3982 -161688.2157 -109059.8692 299.3438 -76.4965 -49.5114 760970.8924 -6.9922 -6.8901 PRESSURE: 2704800 83.0835 16.3868 161.448 16.3871 -23.0601 -56.7033 161.448 -56.7033 -120.757 GPRESSURE: 2704800 8.50006 21.9841 135.268 -4.04511 117.942 -49.5069 101.118 -53.0433 -82.9975 PRESSAVG: 2704800 42.931 -18.4903 6.81606 -18.4903 -4.12539 13.8276 6.81605 13.8277 0.671958 GPRESSAVG: 2704800 41.574 -16.3483 6.65554 -17.4135 -3.63726 12.545 6.26183 16.6284 0.946172 TIMING: 2704800 CPU: 8621.69, 0.00314627/step Wall: 8621.69, 0.00314627/step, 2.00592 hours remaining, 234.457031 MB of memory in use. ENERGY: 2704800 3978.4968 20375.4747 14448.2791 244.2388 -202970.1982 2327.0747 0.0000 0.0000 52122.8439 -109473.7902 299.5507 -161596.6341 -109112.2994 299.4838 -20.2446 14.4814 760120.1771 13.1592 12.9610 PRESSURE: 2705000 53.4936 -100.271 -202.246 -100.271 162.52 16.5579 -202.247 16.5573 215.596 GPRESSURE: 2705000 102.859 -130.391 -218.289 -197.005 252.031 54.438 -275.827 37.4635 179.244 PRESSAVG: 2705000 76.8584 -31.1662 25.6774 -31.1662 -23.326 -33.0433 25.6774 -33.0434 11.2143 GPRESSAVG: 2705000 75.8836 -33.1479 25.428 -32.0243 -22.9394 -32.4612 24.251 -33.9472 11.9283 TIMING: 2705000 CPU: 8622.32, 0.00315091/step Wall: 8622.32, 0.00315091/step, 2.00871 hours remaining, 234.457031 MB of memory in use. ENERGY: 2705000 3888.3759 20562.5609 14498.8402 267.6685 -203236.9725 2531.4776 0.0000 0.0000 51970.1768 -109517.8726 298.6733 -161488.0494 -109163.9931 299.0406 143.8697 178.0445 760775.2738 21.5822 21.6241 PRESSURE: 2705200 301.958 -91.4486 -76.2445 -91.4484 130.265 129.004 -76.2453 129.003 186.41 GPRESSURE: 2705200 346.122 18.6632 -6.95723 3.51209 229.215 180.633 -56.4925 119.183 125.67 PRESSAVG: 2705200 -43.979 -3.65572 14.4139 -3.65573 37.6689 8.11282 14.4139 8.11272 -8.1705 GPRESSAVG: 2705200 -42.6872 -2.83566 15.376 -2.93445 35.0883 7.95977 16.1627 7.54871 -7.16988 TIMING: 2705200 CPU: 8622.95, 0.00315129/step Wall: 8622.95, 0.00315129/step, 2.00877 hours remaining, 234.457031 MB of memory in use. ENERGY: 2705200 3927.1043 20559.7565 14425.9227 268.2841 -203234.6915 2447.2833 0.0000 0.0000 51914.4541 -109691.8865 298.3531 -161606.3407 -109334.4196 298.7558 206.2110 233.6687 761205.5592 -4.8269 -4.9229 PRESSURE: 2705400 -123.994 -219.626 84.1988 -219.625 254.477 161.936 84.1996 161.935 -540.18 GPRESSURE: 2705400 -133.062 -197.987 93.8926 -216.053 333.416 169.468 112.241 135.315 -533.293 PRESSAVG: 2705400 3.83784 0.552985 7.84265 0.553032 -28.5193 60.6452 7.84259 60.6452 15.2023 GPRESSAVG: 2705400 2.81513 0.713247 9.46702 -1.93418 -26.2975 59.6685 6.32055 60.1225 13.6716 TIMING: 2705400 CPU: 8623.58, 0.00314791/step Wall: 8623.58, 0.00314791/step, 2.00644 hours remaining, 234.457031 MB of memory in use. ENERGY: 2705400 4035.9051 20431.9461 14416.5303 254.0725 -203066.6625 2368.2599 0.0000 0.0000 52088.3788 -109471.5697 299.3526 -161559.9486 -109114.0414 298.8162 -136.5655 -110.9798 760253.7118 -3.1597 -3.2702 PRESSURE: 2705600 -87.4322 -136.01 271.354 -136.011 -490.248 123.465 271.353 123.467 -417.441 GPRESSURE: 2705600 -38.8876 -157.513 284.661 -83.7287 -355.474 44.1789 249.426 274.105 -493.25 PRESSAVG: 2705600 -35.6837 43.5497 33.1722 43.5496 35.326 32.1811 33.1723 32.1811 -12.7945 GPRESSAVG: 2705600 -35.7267 43.2961 33.5011 46.6181 35.0262 32.1003 32.3592 33.6372 -11.9196 TIMING: 2705600 CPU: 8624.21, 0.00315979/step Wall: 8624.21, 0.00315979/step, 2.01384 hours remaining, 234.457031 MB of memory in use. ENERGY: 2705600 4019.7834 20365.6090 14448.5394 238.1323 -202978.3576 2301.6300 0.0000 0.0000 52185.2203 -109419.4432 299.9092 -161604.6635 -109062.5589 299.7012 -331.7069 -295.8705 762249.8043 -4.3841 -4.2067 PRESSURE: 2705800 -39.0144 186.217 18.4362 186.217 -27.8655 47.7408 18.4366 47.7422 237.252 GPRESSURE: 2705800 17.6104 213.826 -4.89947 164.813 -82.0762 90.2201 1.8045 13.2715 313.283 PRESSAVG: 2705800 -57.3777 -21.0182 60.8424 -21.0182 36.167 44.8657 60.8423 44.8658 9.26332 GPRESSAVG: 2705800 -56.4381 -22.4898 58.662 -21.5994 35.4875 47.3927 61.7887 43.8863 9.05636 TIMING: 2705800 CPU: 8624.84, 0.00316164/step Wall: 8624.84, 0.00316164/step, 2.01485 hours remaining, 234.527344 MB of memory in use. ENERGY: 2705800 3972.4653 20569.6442 14441.0975 276.7950 -203331.6386 2754.8427 0.0000 0.0000 51889.0883 -109427.7056 298.2073 -161316.7940 -109069.8564 298.8855 56.7908 82.9391 760813.2446 -3.9824 -3.9647 PRESSURE: 2706000 156.227 -133.615 132.049 -133.615 275.634 146.746 132.049 146.745 -206.415 GPRESSURE: 2706000 182.393 -199.122 78.8383 -57.2279 354.152 174.452 151.221 69.6133 -225.016 PRESSAVG: 2706000 -20.285 -0.327799 41.7898 -0.327713 1.14755 16.2705 41.7898 16.2705 5.1792 GPRESSAVG: 2706000 -20.0604 1.79688 42.8509 -0.152817 0.977759 14.9957 42.3289 16.7636 4.83341 TIMING: 2706000 CPU: 8625.47, 0.00315375/step Wall: 8625.47, 0.00315375/step, 2.00964 hours remaining, 234.527344 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: 2706000 3973.7388 20599.7827 14440.1984 236.9093 -203541.6649 2814.8657 0.0000 0.0000 52083.2532 -109392.9167 299.3232 -161476.1699 -109026.6745 299.7029 75.1486 103.8429 760972.0261 -4.6527 -4.7498 PRESSURE: 2706200 134.616 -53.2804 -26.2064 -53.2799 -120.146 -40.2027 -26.2068 -40.2017 178.057 GPRESSURE: 2706200 189.938 -143.79 -28.2177 115.015 -56.8706 -167.306 64.9596 33.6792 138.124 PRESSAVG: 2706200 20.0259 -15.5192 87.6488 -15.5192 -14.363 10.5119 87.6488 10.5119 -30.1419 GPRESSAVG: 2706200 19.49 -16.8705 87.9363 -13.9503 -13.3706 9.79457 87.4971 8.0098 -31.2159 TIMING: 2706200 CPU: 8626.11, 0.00316095/step Wall: 8626.11, 0.00316095/step, 2.01405 hours remaining, 234.539062 MB of memory in use. ENERGY: 2706200 4093.0067 20445.5152 14513.2596 237.9145 -203549.0763 2680.7906 0.0000 0.0000 52083.3505 -109495.2392 299.3237 -161578.5897 -109137.2666 299.0290 64.1757 90.3972 761252.5849 -8.1596 -8.3655 PRESSURE: 2706400 143.023 90.8973 -29.8923 90.8964 -291.216 -125.792 -29.8925 -125.793 -134.069 GPRESSURE: 2706400 185.214 85.6294 -2.47238 15.6135 -223.155 -42.7726 -41.6577 5.5939 -148.324 PRESSAVG: 2706400 24.1717 3.14696 36.4404 3.14693 -13.5057 20.8188 36.4404 20.8188 -5.2187 GPRESSAVG: 2706400 24.7924 4.84178 37.6769 0.934295 -14.8563 19.5412 35.3152 24.6211 -4.04588 TIMING: 2706400 CPU: 8626.74, 0.00317667/step Wall: 8626.74, 0.00317667/step, 2.02389 hours remaining, 234.539062 MB of memory in use. ENERGY: 2706400 4090.4711 20474.7175 14454.4352 251.3464 -203292.4286 2290.6012 0.0000 0.0000 52299.5623 -109431.2950 300.5663 -161730.8573 -109073.0357 299.1096 -94.0872 -62.0881 761434.0989 1.8158 1.9634 PRESSURE: 2706600 -96.7551 -100.078 302.395 -100.077 -33.0887 -29.5548 302.395 -29.5544 -317.354 GPRESSURE: 2706600 -75.2734 -23.4308 202.489 11.5806 -20.2511 -17.9885 224.616 -84.2641 -239.023 PRESSAVG: 2706600 -37.5928 -11.9497 75.4224 -11.9497 -0.0155059 -20.2934 75.4225 -20.2935 7.15455 GPRESSAVG: 2706600 -37.9756 -13.1394 72.7641 -12.3567 -0.143092 -19.553 75.8219 -22.1022 7.65783 TIMING: 2706600 CPU: 8627.37, 0.0031636/step Wall: 8627.37, 0.0031636/step, 2.01539 hours remaining, 234.539062 MB of memory in use. ENERGY: 2706600 3901.4366 20665.6260 14495.6729 245.1787 -203051.4062 2385.9018 0.0000 0.0000 51889.1321 -109468.4580 298.2076 -161357.5901 -109120.2239 299.1329 -149.0659 -111.5158 762686.1778 -10.1513 -10.1536 PRESSURE: 2706800 -218.702 85.8047 152.149 85.8051 -137.729 46.8658 152.149 46.8653 -521.603 GPRESSURE: 2706800 -127.062 142.63 107.427 144.478 -171.302 70.8676 48.8643 6.46141 -498.717 PRESSAVG: 2706800 21.36 -6.61318 11.0775 -6.61316 14.4419 25.1048 11.0776 25.1048 1.64293 GPRESSAVG: 2706800 21.5568 -7.51769 10.9454 -6.20283 14.5272 23.9749 12.7641 25.0052 1.79945 TIMING: 2706800 CPU: 8628.01, 0.0031613/step Wall: 8628.01, 0.0031613/step, 2.01375 hours remaining, 234.539062 MB of memory in use. ENERGY: 2706800 3948.1486 20520.5822 14461.2721 243.9526 -203073.2511 2232.6454 0.0000 0.0000 52040.6334 -109626.0168 299.0782 -161666.6501 -109252.6936 299.2129 -292.6781 -265.6939 761223.5685 12.4816 12.6278 PRESSURE: 2707000 181.102 -126.619 198.789 -126.619 -218.219 241.15 198.789 241.151 -97.9073 GPRESSURE: 2707000 178.224 -80.6769 149.734 -41.9081 -91.4151 258.466 142.045 171.455 -127.322 PRESSAVG: 2707000 -36.5471 -56.6693 -26.3777 -56.6693 -16.2855 19.57 -26.3778 19.5699 -2.50116 GPRESSAVG: 2707000 -36.7027 -55.7233 -24.7447 -57.5879 -16.0308 21.4524 -27.2784 19.1686 -3.58696 TIMING: 2707000 CPU: 8628.64, 0.00315581/step Wall: 8628.64, 0.00315582/step, 2.01008 hours remaining, 234.539062 MB of memory in use. ENERGY: 2707000 3960.0657 20481.7206 14389.4977 242.8336 -203321.7005 2513.5265 0.0000 0.0000 52167.4727 -109566.5837 299.8072 -161734.0563 -109198.3775 299.1252 -45.0080 -13.5044 762433.8836 -18.4446 -18.7735 PRESSURE: 2707200 129.879 -16.0719 -288.122 -16.0722 -35.1972 -220.748 -288.121 -220.748 205.436 GPRESSURE: 2707200 103.74 -128.296 -277.701 -75.3547 6.12797 -148.751 -80.3504 -226.37 281.518 PRESSAVG: 2707200 -16.3096 -30.0636 23.2377 -30.0637 6.03955 20.3691 23.2377 20.3691 -14.2802 GPRESSAVG: 2707200 -16.4827 -31.7258 21.4813 -27.9742 5.89983 21.0866 24.1192 19.6061 -13.9267 TIMING: 2707200 CPU: 8629.27, 0.00314857/step Wall: 8629.27, 0.00314857/step, 2.00529 hours remaining, 234.539062 MB of memory in use. ENERGY: 2707200 3996.7816 20469.2896 14393.9858 251.4894 -203560.0704 2644.8264 0.0000 0.0000 52009.9805 -109793.7170 298.9021 -161803.6975 -109435.4758 299.3226 100.0393 130.4619 761571.0025 -8.1834 -8.1698 PRESSURE: 2707400 -388.077 -66.7218 -13.576 -66.7212 352.051 -149.394 -13.5764 -149.395 -308.709 GPRESSURE: 2707400 -228.352 -91.534 20.9847 -146.982 264.987 -169.284 18.1153 -227.921 -306.892 PRESSAVG: 2707400 7.5257 -56.9151 28.4114 -56.9151 -10.8598 -7.99623 28.4115 -7.99625 -8.6222 GPRESSAVG: 2707400 6.73673 -55.0757 29.2451 -59.6191 -9.80852 -8.63048 28.9083 -6.15391 -8.97619 TIMING: 2707400 CPU: 8629.89, 0.00312833/step Wall: 8629.89, 0.00312833/step, 1.99222 hours remaining, 234.539062 MB of memory in use. ENERGY: 2707400 3966.0320 20484.4745 14440.5367 232.3099 -203354.1136 2470.2255 0.0000 0.0000 52022.1115 -109738.4235 298.9718 -161760.5350 -109388.5712 298.9018 -114.9116 -90.0858 762823.4619 -3.9854 -4.0160 PRESSURE: 2707600 -416.108 -173.835 133.186 -173.835 -448.841 164.352 133.186 164.352 -202.913 GPRESSURE: 2707600 -382.084 -166.726 70.986 -158.227 -428.859 235.841 263.187 39.62 -180.81 PRESSAVG: 2707600 37.3462 -57.751 6.25143 -57.751 -46.2533 -46.3097 6.25137 -46.3096 5.57815 GPRESSAVG: 2707600 37.5853 -59.1291 7.09596 -54.6054 -46.778 -45.1579 5.60674 -48.6618 5.59892 TIMING: 2707600 CPU: 8630.53, 0.00316514/step Wall: 8630.53, 0.00316514/step, 2.01549 hours remaining, 234.539062 MB of memory in use. ENERGY: 2707600 3953.0202 20406.1363 14453.8319 240.0369 -203073.1892 2156.9049 0.0000 0.0000 52285.4139 -109577.8449 300.4850 -161863.2589 -109216.8890 299.5704 -355.9541 -330.5844 763190.5690 -1.1097 -1.1980 PRESSURE: 2707800 86.579 89.511 -177.552 89.5105 -182.843 -123.506 -177.552 -123.506 65.3182 GPRESSURE: 2707800 82.4242 0.118094 -182.157 117.966 -139.159 -57.4221 -11.6806 -168.188 109.917 PRESSAVG: 2707800 15.3636 -16.9958 31.0462 -16.9959 -57.2083 22.8718 31.0462 22.8718 -14.1508 GPRESSAVG: 2707800 15.3302 -18.014 30.699 -18.8671 -59.1215 23.1361 29.4201 22.4222 -12.1993 TIMING: 2707800 CPU: 8631.16, 0.00314307/step Wall: 8631.16, 0.00314307/step, 2.00126 hours remaining, 234.539062 MB of memory in use. ENERGY: 2707800 4033.2998 20622.1780 14436.4738 236.7545 -203294.0685 2400.1253 0.0000 0.0000 51872.3632 -109692.8739 298.1112 -161565.2371 -109331.1757 299.4387 -10.3153 17.7277 762249.8496 -18.6652 -18.6636 PRESSURE: 2708000 261.437 -57.7836 -1.09822 -57.7839 -468.592 108.662 -1.09784 108.662 -40.0086 GPRESSURE: 2708000 212.109 -33.534 84.7798 -112.286 -331.557 109.211 25.3492 136.414 -50.4645 PRESSAVG: 2708000 13.7031 -19.1944 -38.2616 -19.1944 -35.0916 53.1378 -38.2616 53.1378 17.2825 GPRESSAVG: 2708000 12.5831 -18.1753 -38.4002 -18.1168 -32.8925 51.4756 -38.9861 55.8205 15.8104 TIMING: 2708000 CPU: 8631.79, 0.00316527/step Wall: 8631.79, 0.00316527/step, 2.01522 hours remaining, 234.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2708000 3899.4476 20453.7680 14438.5576 242.6135 -203511.3739 2693.7065 0.0000 0.0000 52210.8353 -109572.4453 300.0564 -161783.2807 -109208.7624 299.0280 -82.3878 -56.6376 762508.8332 -1.3686 -1.4997 PRESSURE: 2708200 -188.338 -39.5891 -1.16975 -39.5894 -260.784 -150.835 -1.16942 -150.835 82.1175 GPRESSURE: 2708200 -104.02 9.78197 -16.7491 -82.0719 -275.338 -138.029 -11.3225 -30.0426 94.4559 PRESSAVG: 2708200 12.1296 -12.0966 -4.92868 -12.0965 -7.08989 0.583445 -4.92871 0.583369 -6.53696 GPRESSAVG: 2708200 12.6744 -11.7017 -5.88793 -12.2999 -8.19061 0.54365 -3.74684 -0.708491 -5.94063 TIMING: 2708200 CPU: 8632.42, 0.0031633/step Wall: 8632.42, 0.0031633/step, 2.01379 hours remaining, 234.539062 MB of memory in use. ENERGY: 2708200 4030.0729 20392.7951 14449.8336 261.1118 -203150.0239 2485.5960 0.0000 0.0000 52003.4629 -109527.1516 298.8646 -161530.6145 -109164.0958 299.2713 -122.3350 -94.9673 762317.5169 -0.4991 -0.4856 LDB: ============= START OF LOAD BALANCING ============== 8644.84 LDB: ============== END OF LOAD BALANCING =============== 8644.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8644.85 LDB: ============= START OF LOAD BALANCING ============== 8645.16 LDB: Largest compute 7032 load 0.031938 is 16.3% of average load 0.195343 LDB: Average compute 0.004399 is 2.3% of average load 0.195343 LDB: TIME 8645.16 LOAD: AVG 0.195343 MAX 0.217263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.48 MB LDB: TIME 8645.17 LOAD: AVG 0.195343 MAX 0.217263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 8645.17 LOAD: AVG 0.195343 MAX 0.217263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 8645.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8645.17 PRESSURE: 2708400 -187.121 -97.0463 69.4269 -97.0467 -33.9715 47.2209 69.4265 47.2209 339.753 GPRESSURE: 2708400 -68.2777 -0.533616 87.3472 -27.812 -50.8109 59.5642 158.042 -66.4938 335.888 PRESSAVG: 2708400 -19.2341 -27.4055 12.4676 -27.4056 15.2009 16.343 12.4676 16.3429 4.60584 GPRESSAVG: 2708400 -18.7469 -28.5205 13.5515 -27.5606 15.9867 17.7578 12.7296 17.0675 3.58456 TIMING: 2708400 CPU: 8633.07, 0.00322674/step Wall: 8633.07, 0.00322674/step, 2.054 hours remaining, 234.332031 MB of memory in use. ENERGY: 2708400 3967.4382 20556.9414 14489.7852 252.3389 -203406.0556 2550.4835 0.0000 0.0000 52167.0637 -109422.0049 299.8048 -161589.0685 -109061.4950 299.7836 39.5536 72.2666 760993.1886 0.1909 0.2748 PRESSURE: 2708600 142.747 113.022 80.9469 113.022 129.532 38.734 80.9468 38.7337 203.78 GPRESSURE: 2708600 224.157 95.7365 142.562 111.318 159.818 -18.0305 128.585 37.2809 185.757 PRESSAVG: 2708600 32.3596 15.5939 40.5926 15.5939 -11.3746 43.668 40.5926 43.668 -9.50812 GPRESSAVG: 2708600 31.485 16.0229 39.0084 15.5709 -11.184 42.9633 40.8899 43.7282 -8.61871 TIMING: 2708600 CPU: 8633.7, 0.00316995/step Wall: 8633.7, 0.00316995/step, 2.01768 hours remaining, 234.535156 MB of memory in use. ENERGY: 2708600 4044.3032 20577.1653 14423.1176 284.5274 -203704.8663 2753.9072 0.0000 0.0000 52051.5470 -109570.2987 299.1410 -161621.8457 -109201.0208 299.5348 158.6864 189.9108 761056.0882 3.8256 3.8941 PRESSURE: 2708800 118.396 50.4156 -0.0391465 50.4166 -247.153 -179.631 -0.0398445 -179.631 269.461 GPRESSURE: 2708800 75.7718 81.9887 0.809411 94.1359 -165.865 -210.223 57.8117 -121.163 304.737 PRESSAVG: 2708800 16.8815 -17.664 27.2 -17.664 -13.6236 55.7676 27.2 55.7676 -27.2633 GPRESSAVG: 2708800 16.8957 -15.7762 29.118 -15.6501 -13.5969 56.0258 25.8633 54.9635 -27.1665 TIMING: 2708800 CPU: 8634.34, 0.00319246/step Wall: 8634.34, 0.00319246/step, 2.03182 hours remaining, 234.535156 MB of memory in use. ENERGY: 2708800 3971.4264 20828.9869 14419.5445 269.8266 -203501.0286 2357.9646 0.0000 0.0000 51998.0673 -109655.2122 298.8336 -161653.2795 -109286.4810 299.4067 46.9016 71.5481 761106.8727 -8.0018 -7.9559 PRESSURE: 2709000 -125.34 -89.1327 25.7865 -89.1333 -129.645 -328.674 25.7861 -328.674 99.3997 GPRESSURE: 2709000 -21.7748 -73.2891 36.5123 -48.7157 -125.181 -227.742 36.7474 -425.752 98.4354 PRESSAVG: 2709000 24.3863 -52.7555 22.0778 -52.7556 -28.2904 -17.377 22.0778 -17.377 -23.4113 GPRESSAVG: 2709000 26.1653 -50.6881 21.3788 -54.7833 -30.0735 -17.3079 23.0403 -16.815 -23.4859 TIMING: 2709000 CPU: 8634.98, 0.00318161/step Wall: 8634.98, 0.00318161/step, 2.02474 hours remaining, 234.535156 MB of memory in use. ENERGY: 2709000 3946.9317 20687.1603 14370.0708 232.5362 -203503.2947 2478.7714 0.0000 0.0000 52236.0711 -109551.7531 300.2014 -161787.8243 -109196.6218 299.2780 -51.8619 -16.1734 758808.0081 -9.1051 -9.1314 PRESSURE: 2709200 20.8563 -98.4365 -248.699 -98.436 -62.4788 421.473 -248.701 421.473 -398.551 GPRESSURE: 2709200 34.68 -233.652 -237.438 -210.493 -23.5822 389.953 -222.204 411.309 -376.609 PRESSAVG: 2709200 31.8395 -8.98456 -40.6854 -8.98461 -19.8365 -37.9106 -40.6853 -37.9105 3.51369 GPRESSAVG: 2709200 30.8896 -11.9262 -39.4554 -8.38953 -19.4923 -36.84 -40.3544 -37.6758 3.41882 TIMING: 2709200 CPU: 8635.61, 0.00317302/step Wall: 8635.61, 0.00317302/step, 2.0191 hours remaining, 234.535156 MB of memory in use. ENERGY: 2709200 3998.9080 20559.5766 14479.2792 233.7717 -203848.6851 2532.1395 0.0000 0.0000 52249.2506 -109795.7595 300.2772 -162045.0101 -109427.2726 299.3757 -146.7245 -121.8371 759594.7931 5.1722 4.9387 PRESSURE: 2709400 -83.1523 -80.2936 153.28 -80.2931 -142.892 63.517 153.281 63.5173 -242.563 GPRESSURE: 2709400 -12.6988 -50.9664 196.18 -163.962 -91.3516 45.324 228.968 34.2211 -265.64 PRESSAVG: 2709400 74.7805 -58.9556 10.3682 -58.9556 -82.7464 58.4505 10.3682 58.4505 -0.794366 GPRESSAVG: 2709400 73.4954 -61.0901 9.20764 -60.6412 -81.4556 57.0688 9.28159 58.5821 -0.732305 TIMING: 2709400 CPU: 8636.24, 0.00314231/step Wall: 8636.24, 0.00314231/step, 1.99938 hours remaining, 234.535156 MB of memory in use. ENERGY: 2709400 4014.8235 20583.6839 14503.6672 249.5829 -203254.2016 2191.6787 0.0000 0.0000 51967.5081 -109743.2573 298.6580 -161710.7654 -109384.1281 299.3478 -156.2024 -123.2302 761159.9736 -2.9201 -2.8975 PRESSURE: 2709600 197.222 149.688 198.622 149.687 -56.5796 61.6153 198.623 61.615 44.5203 GPRESSURE: 2709600 195.537 69.0303 157.79 164.672 47.0478 78.0665 161.149 2.90579 48.8686 PRESSAVG: 2709600 -19.2279 -18.7655 40.6547 -18.7655 -20.6634 12.7716 40.6547 12.7715 -13.6349 GPRESSAVG: 2709600 -17.8871 -17.1511 40.5955 -17.5751 -20.9989 12.5452 41.3276 12.9559 -14.5579 TIMING: 2709600 CPU: 8636.87, 0.00315154/step Wall: 8636.87, 0.00315154/step, 2.00508 hours remaining, 234.535156 MB of memory in use. ENERGY: 2709600 3955.8273 20575.9882 14452.3481 237.6046 -203695.1581 2712.5194 0.0000 0.0000 52113.5759 -109647.2947 299.4974 -161760.8706 -109270.1630 299.5664 61.7208 97.1510 760891.2330 -17.8421 -17.8146 PRESSURE: 2709800 -267.541 -167.064 66.6151 -167.065 -411.836 120.128 66.6136 120.127 -330.402 GPRESSURE: 2709800 -251.052 -128.466 -88.5352 -247.022 -304.591 65.1697 30.9212 190.618 -374.229 PRESSAVG: 2709800 16.9962 -28.2943 31.2756 -28.2944 -1.13266 34.7743 31.2756 34.7744 -5.82311 GPRESSAVG: 2709800 15.6683 -27.4434 30.625 -29.5481 -0.463814 35.9498 30.8333 34.2707 -5.6944 TIMING: 2709800 CPU: 8637.5, 0.00314441/step Wall: 8637.5, 0.00314441/step, 2.00037 hours remaining, 234.535156 MB of memory in use. ENERGY: 2709800 4012.3234 20543.2632 14416.4773 252.9744 -203213.3088 2153.4097 0.0000 0.0000 51991.1236 -109843.7372 298.7937 -161834.8608 -109474.6648 298.6618 -336.5930 -309.9571 760246.9562 3.3468 3.1700 PRESSURE: 2710000 -32.1119 18.9011 183.881 18.9014 -137.795 180.851 183.882 180.852 -171.308 GPRESSURE: 2710000 33.3231 -110.416 137.75 39.4284 -126.719 155.718 258.105 180.367 -145.48 PRESSAVG: 2710000 51.2063 -39.5595 7.42458 -39.5595 -33.554 27.5 7.42455 27.5 2.74001 GPRESSAVG: 2710000 51.9816 -41.2208 8.55764 -38.4997 -34.1659 27.8082 6.23657 28.5331 2.76351 TIMING: 2710000 CPU: 8638.13, 0.00316584/step Wall: 8638.13, 0.00316584/step, 2.01382 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2710000 3996.4793 20520.5710 14500.4805 268.9833 -203645.5279 2593.3072 0.0000 0.0000 52039.9009 -109725.8058 299.0740 -161765.7067 -109358.5696 298.8457 -113.7383 -79.6252 760429.2983 6.7974 6.8597 PRESSURE: 2710200 103.982 -224.188 -285.843 -224.188 -88.2358 -228.656 -285.842 -228.656 -57.5693 GPRESSURE: 2710200 281.609 -179.237 -243.688 -291.709 -128.671 -223.695 -161.527 -169.38 -119.147 PRESSAVG: 2710200 12.4447 15.4799 58.607 15.4799 -35.7798 -0.88595 58.607 -0.885965 8.335 GPRESSAVG: 2710200 12.4664 14.7261 58.6703 14.7049 -34.5811 -1.9828 58.8786 -2.26076 7.04926 TIMING: 2710200 CPU: 8638.76, 0.00315791/step Wall: 8638.76, 0.00315791/step, 2.00861 hours remaining, 234.535156 MB of memory in use. ENERGY: 2710200 4037.0855 20445.6993 14387.2672 257.2721 -203558.5961 2500.8655 0.0000 0.0000 52210.3940 -109720.0125 300.0539 -161930.4066 -109350.0158 299.1039 -13.9410 11.2637 761128.5657 -5.0000 -5.0218 PRESSURE: 2710400 259.433 66.4288 -101.851 66.4291 -53.7071 58.8003 -101.851 58.8009 534.46 GPRESSURE: 2710400 255.074 29.8455 -161.779 205.847 35.3963 87.7358 -38.0585 -55.1878 529.92 PRESSAVG: 2710400 1.49713 -22.3297 27.3383 -22.3297 24.3366 3.51997 27.3383 3.51995 -15.8883 GPRESSAVG: 2710400 1.07546 -19.4776 24.7637 -22.4971 23.8211 3.73341 28.6961 4.64943 -14.6275 TIMING: 2710400 CPU: 8639.4, 0.00317326/step Wall: 8639.4, 0.00317326/step, 2.01819 hours remaining, 234.535156 MB of memory in use. ENERGY: 2710400 3942.5491 20699.4132 14464.3449 254.7322 -203505.1936 2342.4059 0.0000 0.0000 51970.7290 -109831.0191 298.6765 -161801.7482 -109467.9490 298.9063 246.7288 273.4635 760377.6549 3.3151 3.4230 PRESSURE: 2710600 -211.857 -43.7262 -215.463 -43.7268 -314.853 115.431 -215.464 115.431 -207.143 GPRESSURE: 2710600 -251.937 -64.4944 -73.7929 -37.9838 -217.588 215.571 -229.466 159.719 -175.994 PRESSAVG: 2710600 -29.7753 -25.8247 1.05212 -25.8247 45.2583 -13.0549 1.05217 -13.055 28.83 GPRESSAVG: 2710600 -28.4036 -29.9336 2.99699 -21.664 44.6026 -13.2023 0.492385 -11.5501 27.92 TIMING: 2710600 CPU: 8640.04, 0.00319707/step Wall: 8640.04, 0.00319707/step, 2.03316 hours remaining, 234.535156 MB of memory in use. ENERGY: 2710600 4031.4640 20573.8800 14436.4845 238.6840 -203383.2843 2402.6556 0.0000 0.0000 51799.0618 -109901.0544 297.6899 -161700.1162 -109545.7393 298.3129 -244.6177 -215.1730 762460.1598 14.7710 14.7064 PRESSURE: 2710800 210.002 230.971 -128.694 230.971 -67.6029 220.072 -128.694 220.071 170.836 GPRESSURE: 2710800 234.067 201.155 -216.417 216.201 -34.9388 228.173 -165.174 -15.1373 188.53 PRESSAVG: 2710800 24.3036 8.29934 -29.4135 8.29932 -19.9627 16.6096 -29.4135 16.6096 1.34637 GPRESSAVG: 2710800 23.9241 9.74619 -29.9148 6.76844 -20.7376 16.065 -30.633 12.1969 2.3481 TIMING: 2710800 CPU: 8640.67, 0.00318424/step Wall: 8640.67, 0.00318424/step, 2.02482 hours remaining, 234.535156 MB of memory in use. ENERGY: 2710800 4028.6802 20460.0302 14507.8469 243.6034 -203735.4378 2879.9666 0.0000 0.0000 51947.3312 -109667.9792 298.5420 -161615.3105 -109314.9287 298.9197 104.4117 129.2193 760195.8655 1.8957 1.8449 PRESSURE: 2711000 -333.852 12.1122 -3.4092 12.1118 222.767 -83.125 -3.40965 -83.1264 69.1448 GPRESSURE: 2711000 -205.226 101.678 9.60018 82.027 185.925 -140.941 -9.50721 19.0855 78.0659 PRESSAVG: 2711000 20.126 -29.2825 -2.80731 -29.2826 -17.8039 7.84262 -2.80736 7.84261 -2.90959 GPRESSAVG: 2711000 19.7524 -28.5852 -3.12253 -31.5367 -17.0024 8.37853 -1.89172 9.98442 -3.31812 TIMING: 2711000 CPU: 8641.31, 0.00317522/step Wall: 8641.31, 0.00317522/step, 2.01891 hours remaining, 234.535156 MB of memory in use. ENERGY: 2711000 3967.2018 20411.6445 14518.7874 239.4518 -203296.2364 2503.1636 0.0000 0.0000 52146.4747 -109509.5126 299.6865 -161655.9873 -109139.8381 299.2259 -13.9801 19.5883 760586.0692 -0.1958 -0.1894 PRESSURE: 2711200 -146.128 223.939 -218.209 223.939 -714.7 -50.6073 -218.209 -50.6072 -202.2 GPRESSURE: 2711200 -194.655 150.963 -257.258 157.818 -613.032 -25.891 29.0802 71.444 -182.711 PRESSAVG: 2711200 46.7413 -8.67977 60.1953 -8.67977 -40.8687 10.8818 60.1953 10.8818 -26.5315 GPRESSAVG: 2711200 47.2746 -7.78622 61.0478 -6.02711 -41.9282 9.82815 60.5385 12.6925 -25.8041 TIMING: 2711200 CPU: 8641.94, 0.00317669/step Wall: 8641.94, 0.00317669/step, 2.01967 hours remaining, 234.535156 MB of memory in use. ENERGY: 2711200 4107.9507 20585.3188 14396.3114 241.1672 -203201.1444 2295.6193 0.0000 0.0000 52276.1893 -109298.5877 300.4320 -161574.7771 -108938.0607 299.3953 -354.3426 -330.1323 761270.9206 -6.8863 -6.8192 PRESSURE: 2711400 -86.8858 52.4183 57.3389 52.418 371.747 -136.573 57.3382 -136.574 58.4038 GPRESSURE: 2711400 -76.5916 100.001 43.3369 73.7334 404.339 -165.727 172.22 -143.808 112.58 PRESSAVG: 2711400 34.4886 7.55235 3.0863 7.55228 -51.9294 -43.3284 3.08627 -43.3283 0.747677 GPRESSAVG: 2711400 32.4136 7.32599 2.88023 7.45409 -50.2399 -41.6643 4.66645 -44.4401 0.642307 TIMING: 2711400 CPU: 8642.58, 0.00316162/step Wall: 8642.58, 0.00316162/step, 2.00991 hours remaining, 234.535156 MB of memory in use. ENERGY: 2711400 3993.2492 20584.4160 14537.4789 256.3918 -203217.2214 2487.7655 0.0000 0.0000 52029.0170 -109328.9030 299.0115 -161357.9200 -108976.0857 299.5403 114.4217 146.7756 759202.4689 -5.5644 -5.7280 PRESSURE: 2711600 -604.437 -39.2184 -408.435 -39.2184 -408.271 -7.29565 -408.434 -7.2963 -301.283 GPRESSURE: 2711600 -524.472 38.0259 -424.077 10.753 -352.744 90.7182 -371.586 -6.39117 -341.656 PRESSAVG: 2711600 33.2164 -72.122 -41.4092 -72.122 -49.5193 -44.9123 -41.4093 -44.9123 6.91979 GPRESSAVG: 2711600 35.4681 -72.4805 -42.2438 -71.9249 -51.4309 -47.3547 -43.3267 -46.2721 6.2515 TIMING: 2711600 CPU: 8643.2, 0.00314194/step Wall: 8643.2, 0.00314194/step, 1.99723 hours remaining, 234.535156 MB of memory in use. ENERGY: 2711600 4017.3953 20607.7762 14443.4463 236.5742 -203112.5118 2290.4632 0.0000 0.0000 52118.4494 -109398.4072 299.5254 -161516.8566 -109048.4114 299.8953 -437.9969 -406.2903 761315.7321 -3.1277 -3.2371 PRESSURE: 2711800 -115.372 -50.7915 -218.123 -50.7911 -202.707 -105.102 -218.123 -105.102 -133.964 GPRESSURE: 2711800 -38.8388 -86.4386 -138.517 -25.7971 -189.039 -32.1861 -112.287 -76.5479 -123.39 PRESSAVG: 2711800 19.2839 -11.7665 -58.6248 -11.7665 -42.7514 -40.6218 -58.6248 -40.6219 3.86193 GPRESSAVG: 2711800 18.4489 -12.5904 -56.2429 -11.4471 -42.058 -39.3593 -56.7496 -38.3434 4.59503 TIMING: 2711800 CPU: 8643.83, 0.00314501/step Wall: 8643.83, 0.00314501/step, 1.999 hours remaining, 234.535156 MB of memory in use. ENERGY: 2711800 4077.4070 20405.4528 14505.8097 232.2167 -203174.4120 2373.8791 0.0000 0.0000 52112.4735 -109467.1732 299.4911 -161579.6467 -109100.1850 299.5804 -150.6809 -117.0894 760501.2746 -6.5352 -6.3380 PRESSURE: 2712000 -296.598 -82.6341 183.682 -82.6342 179.606 -202.423 183.682 -202.423 -268.396 GPRESSURE: 2712000 -276.147 -146.956 136.497 -180.446 203.483 -237.577 46.866 -202.213 -244.67 PRESSAVG: 2712000 18.693 -40.7529 31.959 -40.7529 17.4689 -3.15683 31.959 -3.15692 -0.83962 GPRESSAVG: 2712000 19.0499 -41.5488 30.507 -43.3206 16.9918 -2.17223 29.5767 -5.97766 -0.779552 TIMING: 2712000 CPU: 8644.46, 0.0031586/step Wall: 8644.46, 0.0031586/step, 2.00747 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2712000 3955.3497 20588.0727 14468.1774 256.4060 -203532.5768 2511.7596 0.0000 0.0000 52276.4876 -109476.3236 300.4337 -161752.8113 -109117.9594 299.5551 -128.4629 -105.7779 760364.3506 11.7741 11.7541 PRESSURE: 2712200 452.956 -148.357 107.648 -148.357 515.647 -176.895 107.649 -176.895 194.813 GPRESSURE: 2712200 387.028 -220.054 -3.66191 -28.7235 531.52 -159.156 87.7361 -111.368 336.169 PRESSAVG: 2712200 6.24614 -25.3361 4.30443 -25.3361 -45.816 -35.7312 4.30446 -35.7312 2.73822 GPRESSAVG: 2712200 5.46566 -25.2178 4.51829 -22.7749 -46.1836 -36.9037 3.88283 -33.6687 3.73886 TIMING: 2712200 CPU: 8645.1, 0.0031577/step Wall: 8645.1, 0.0031577/step, 2.00672 hours remaining, 234.535156 MB of memory in use. ENERGY: 2712200 3973.8163 20506.2364 14519.4880 255.3804 -203403.3356 2497.8028 0.0000 0.0000 52177.7909 -109472.8208 299.8665 -161650.6117 -109100.6928 299.3123 387.8050 418.2393 759645.2036 -12.2772 -12.3264 LDB: ============= START OF LOAD BALANCING ============== 8657.52 LDB: ============== END OF LOAD BALANCING =============== 8657.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8657.52 LDB: ============= START OF LOAD BALANCING ============== 8657.83 LDB: Largest compute 7033 load 0.033568 is 17.2% of average load 0.195483 LDB: Average compute 0.004414 is 2.3% of average load 0.195483 LDB: TIME 8657.84 LOAD: AVG 0.195483 MAX 0.2178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.363 MB LDB: TIME 8657.84 LOAD: AVG 0.195483 MAX 0.2178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: TIME 8657.84 LOAD: AVG 0.195483 MAX 0.2178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: ============== END OF LOAD BALANCING =============== 8657.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8657.84 PRESSURE: 2712400 3.37492 -148.83 115.283 -148.83 115.001 4.50957 115.282 4.50956 176.294 GPRESSURE: 2712400 89.556 -67.0022 71.1847 -147.821 130.523 36.8198 142.212 63.8356 157.82 PRESSAVG: 2712400 12.4039 -64.2599 16.7407 -64.2598 -1.72991 -26.3849 16.7407 -26.3849 -28.3063 GPRESSAVG: 2712400 12.9961 -63.5574 13.5731 -64.8217 -1.10154 -26.5947 17.2087 -25.602 -29.2686 TIMING: 2712400 CPU: 8645.74, 0.00320815/step Wall: 8645.74, 0.00320815/step, 2.0386 hours remaining, 235.105469 MB of memory in use. ENERGY: 2712400 3913.3230 20344.1804 14563.7435 249.5430 -203234.6242 2567.4591 0.0000 0.0000 52133.1116 -109463.2637 299.6097 -161596.3753 -109102.2092 299.0899 98.2231 125.9661 761154.7324 -5.8774 -5.7913 PRESSURE: 2712600 -290.259 -5.24878 131.494 -5.24776 -307.49 12.7822 131.494 12.7826 -28.2835 GPRESSURE: 2712600 -181.693 -1.583 105.356 13.377 -315.346 67.5542 32.5048 -67.0542 -57.2645 PRESSAVG: 2712600 40.1585 -43.0012 39.7678 -43.0012 -28.7159 15.4511 39.7679 15.451 25.7401 GPRESSAVG: 2712600 39.8034 -42.8422 43.1844 -44.2728 -29.395 16.1241 39.4333 14.8329 26.7852 TIMING: 2712600 CPU: 8646.36, 0.00313459/step Wall: 8646.36, 0.00313459/step, 1.99169 hours remaining, 235.105469 MB of memory in use. ENERGY: 2712600 3989.1175 20471.3608 14492.5092 237.8668 -202730.3751 2218.0460 0.0000 0.0000 52036.5338 -109284.9409 299.0547 -161321.4747 -108914.4487 299.5699 -208.6775 -184.7679 761320.6692 12.3943 12.3979 PRESSURE: 2712800 -184.216 269.735 -87.2881 269.735 -128.859 51.5618 -87.2879 51.5622 306.826 GPRESSURE: 2712800 -81.0768 358.913 -7.89648 227.822 -110.068 84.129 -155.496 -65.6265 287.481 PRESSAVG: 2712800 -35.3661 3.18588 7.02057 3.18589 9.48072 -5.36711 7.02057 -5.3672 17.2749 GPRESSAVG: 2712800 -34.7615 4.80706 5.74809 3.69482 9.20399 -5.02513 7.89543 -6.79753 16.8421 TIMING: 2712800 CPU: 8646.99, 0.00314404/step Wall: 8646.99, 0.00314404/step, 1.99751 hours remaining, 235.105469 MB of memory in use. ENERGY: 2712800 4057.7042 20354.9082 14489.8455 255.4442 -203239.5991 2326.3878 0.0000 0.0000 52156.8141 -109598.4951 299.7459 -161755.3092 -109246.4194 299.0883 -2.0830 32.1123 760544.3000 -2.8702 -2.9051 PRESSURE: 2713000 5.93532 60.8593 39.2136 60.8586 -27.575 -59.8735 39.2134 -59.8724 90.4859 GPRESSURE: 2713000 -45.8661 28.4529 60.9124 -48.7896 73.5237 -68.8148 72.7452 -114.723 125.941 PRESSAVG: 2713000 -17.61 -21.5433 -5.68079 -21.5434 14.4555 -19.8604 -5.68078 -19.8603 -26.5476 GPRESSAVG: 2713000 -17.6742 -22.5754 -5.59495 -21.7083 15.4568 -21.333 -4.45994 -19.9345 -27.1853 TIMING: 2713000 CPU: 8647.62, 0.00314868/step Wall: 8647.62, 0.00314868/step, 2.00029 hours remaining, 235.105469 MB of memory in use. ENERGY: 2713000 3996.2764 20759.6277 14431.7209 256.8298 -203520.3637 2515.7667 0.0000 0.0000 51702.9779 -109857.1644 297.1377 -161560.1422 -109504.0564 298.7320 22.9487 51.1995 760260.4161 -9.9007 -9.8009 PRESSURE: 2713200 200.309 40.2386 98.175 40.2396 163.977 54.1732 98.1753 54.1732 165.81 GPRESSURE: 2713200 262.393 -45.9963 79.9348 111.403 173.221 108.546 24.7217 6.71523 157.01 PRESSAVG: 2713200 13.2187 -46.9697 -0.796565 -46.9696 -16.249 -7.71417 -0.79652 -7.71419 1.02528 GPRESSAVG: 2713200 13.3518 -46.0715 -0.91899 -48.8621 -16.1373 -7.70419 -1.57589 -6.08411 1.1355 TIMING: 2713200 CPU: 8648.25, 0.00314073/step Wall: 8648.25, 0.00314073/step, 1.99506 hours remaining, 235.105469 MB of memory in use. ENERGY: 2713200 4011.0919 20612.3930 14441.3684 242.3919 -203984.0568 2835.4979 0.0000 0.0000 51961.0468 -109880.2670 298.6208 -161841.3137 -109510.0616 298.3210 176.6988 197.5414 758960.2077 -0.6683 -0.5500 PRESSURE: 2713400 216.966 47.0534 20.7234 47.0539 -25.7005 -123.254 20.7234 -123.254 289.628 GPRESSURE: 2713400 258.015 1.53919 85.5159 222.845 -48.907 -134.323 137.492 -94.8381 353.601 PRESSAVG: 2713400 21.5421 -36.3586 12.1174 -36.3586 -3.32498 44.8485 12.1173 44.8485 -8.79073 GPRESSAVG: 2713400 21.4319 -38.4965 11.6536 -34.3048 -3.6989 43.7167 10.6826 43.6841 -8.69956 TIMING: 2713400 CPU: 8648.88, 0.00312515/step Wall: 8648.88, 0.00312515/step, 1.98499 hours remaining, 235.105469 MB of memory in use. ENERGY: 2713400 3966.4772 20531.8778 14441.1361 242.1541 -203915.0959 2637.8871 0.0000 0.0000 52169.4755 -109926.0882 299.8187 -162095.5637 -109560.0480 298.6450 160.2980 187.5696 759447.3188 3.1421 3.0111 PRESSURE: 2713600 -53.9216 -2.69793 85.687 -2.69699 -219.911 80.551 85.6879 80.5512 -416.436 GPRESSURE: 2713600 -22.4556 -6.864 124.369 100.394 -145.898 79.0149 12.4477 -78.8144 -407.272 PRESSAVG: 2713600 3.54234 -57.0762 -0.788718 -57.0762 18.0277 -28.4396 -0.788675 -28.4396 -26.1675 GPRESSAVG: 2713600 3.60525 -56.7351 0.278047 -56.5397 16.9025 -27.4167 -0.601927 -29.6355 -24.8915 TIMING: 2713600 CPU: 8649.5, 0.00312508/step Wall: 8649.5, 0.00312508/step, 1.98477 hours remaining, 235.105469 MB of memory in use. ENERGY: 2713600 4009.7520 20495.0793 14394.7375 270.8810 -203958.5214 2662.8633 0.0000 0.0000 52257.2013 -109868.0070 300.3229 -162125.2083 -109492.8827 298.6078 -230.0895 -191.8752 760173.5476 -1.5325 -1.4613 PRESSURE: 2713800 222.396 -120.923 -90.7388 -120.923 -194.938 190.443 -90.7386 190.443 -435.679 GPRESSURE: 2713800 132.563 -184.587 -124.134 -106.52 -77.6796 194.161 -99.5207 134.061 -373.849 PRESSAVG: 2713800 -41.6413 0.328385 20.8183 0.328287 18.2704 38.266 20.8183 38.266 19.8466 GPRESSAVG: 2713800 -43.906 -0.184316 18.8339 -1.08669 21.1625 38.1688 22.1701 40.7417 19.1471 TIMING: 2713800 CPU: 8650.12, 0.00311055/step Wall: 8650.12, 0.00311055/step, 1.97537 hours remaining, 235.105469 MB of memory in use. ENERGY: 2713800 4018.5396 20629.7271 14511.4905 253.5601 -203616.6201 2722.7115 0.0000 0.0000 51693.4748 -109787.1165 297.0831 -161480.5912 -109436.9598 298.8040 -136.0733 -106.3216 761050.6940 -1.1748 -1.1988 PRESSURE: 2714000 -437.734 -3.9093 -50.8284 -3.90877 329.488 102.468 -50.8293 102.467 67.4957 GPRESSURE: 2714000 -326.761 -48.3384 20.6076 -24.1319 303.551 49.4716 -37.4159 36.1202 73.6017 PRESSAVG: 2714000 -45.2118 -46.3188 19.992 -46.3188 33.4226 51.9743 19.9921 51.9744 -16.5592 GPRESSAVG: 2714000 -43.3423 -45.7012 18.8131 -46.7398 32.0669 51.5724 21.2623 51.6832 -17.5325 TIMING: 2714000 CPU: 8650.75, 0.00312062/step Wall: 8650.75, 0.00312062/step, 1.98159 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2714000 3987.4913 20399.2174 14410.5004 255.4151 -203653.1965 2553.4157 0.0000 0.0000 52394.3421 -109652.8144 301.1110 -162047.1565 -109295.9941 298.8411 -13.5836 16.7974 760167.6397 -9.4495 -9.6026 PRESSURE: 2714200 -202.476 44.6109 81.9473 44.61 -104.796 138.747 81.9482 138.747 84.6854 GPRESSURE: 2714200 -110.032 0.824515 54.4157 14.6117 -21.1488 138.722 -101.244 -60.5366 3.29825 PRESSAVG: 2714200 21.0339 -3.89242 17.2766 -3.89245 -10.3856 8.59089 17.2766 8.591 20.1529 GPRESSAVG: 2714200 21.1732 -3.38881 20.1424 -3.32502 -10.2134 9.11121 15.7387 6.93445 19.8502 TIMING: 2714200 CPU: 8651.37, 0.00312051/step Wall: 8651.37, 0.00312051/step, 1.98135 hours remaining, 235.105469 MB of memory in use. ENERGY: 2714200 3982.7771 20415.2323 14361.6410 264.1171 -203230.5264 2570.4676 0.0000 0.0000 52261.5967 -109374.6947 300.3481 -161636.2913 -108998.6341 299.3551 -74.1954 -42.6275 760873.4743 10.2671 10.2700 PRESSURE: 2714400 -385.822 -71.9077 -141.041 -71.9086 -315.083 23.3352 -141.04 23.3348 -51.1648 GPRESSURE: 2714400 -298.68 -63.8938 -139.25 -28.2126 -355.354 73.6054 -103.109 65.3584 -32.3982 PRESSAVG: 2714400 35.2177 15.9942 3.10739 15.9943 -13.2576 -4.58131 3.10741 -4.58137 -10.1297 GPRESSAVG: 2714400 34.5877 15.7533 2.4074 16.5004 -12.7284 -3.67705 3.55532 -2.37625 -9.65144 TIMING: 2714400 CPU: 8652, 0.00314662/step Wall: 8652, 0.00314662/step, 1.99776 hours remaining, 235.105469 MB of memory in use. ENERGY: 2714400 3955.1876 20590.1629 14403.8416 254.9228 -202933.9442 2238.8392 0.0000 0.0000 52097.5020 -109393.4880 299.4051 -161490.9900 -109028.3314 299.6973 -250.6897 -228.8106 761417.3427 3.9435 4.0693 PRESSURE: 2714600 -136.295 -15.6999 -45.3916 -15.6996 51.794 42.5152 -45.3908 42.5144 -0.792174 GPRESSURE: 2714600 -117.078 39.899 -18.4735 -31.9104 78.5327 27.0403 79.6227 33.9979 26.2783 PRESSAVG: 2714600 22.5713 -53.927 -30.952 -53.927 -33.2643 24.65 -30.952 24.6499 -8.24552 GPRESSAVG: 2714600 24.1337 -54.5592 -28.7954 -52.4274 -34.359 24.0962 -32.4558 23.7241 -8.65675 TIMING: 2714600 CPU: 8652.63, 0.00314553/step Wall: 8652.63, 0.00314553/step, 1.99689 hours remaining, 235.105469 MB of memory in use. ENERGY: 2714600 3967.4930 20510.0008 14473.2062 241.5514 -202876.7527 2403.5717 0.0000 0.0000 51874.4332 -109406.4964 298.1231 -161280.9296 -109041.7503 299.4659 -28.4311 -4.0891 761756.5232 -6.3128 -6.2940 PRESSURE: 2714800 -441.832 99.5301 52.8464 99.5306 -250.748 -182.197 52.8472 -182.196 24.07 GPRESSURE: 2714800 -360.295 70.4394 74.5031 74.5913 -236.845 -161.764 66.0431 -232.576 -7.80619 PRESSAVG: 2714800 77.3773 -39.9718 12.2415 -39.9717 6.56173 -16.9164 12.2415 -16.9163 13.8976 GPRESSAVG: 2714800 76.1381 -40.0987 9.15611 -39.796 7.63327 -16.455 14.1368 -16.448 14.1728 TIMING: 2714800 CPU: 8653.26, 0.00314029/step Wall: 8653.26, 0.00314029/step, 1.99338 hours remaining, 235.105469 MB of memory in use. ENERGY: 2714800 4016.9114 20429.1739 14434.0722 232.2816 -203112.3811 2380.7146 0.0000 0.0000 52454.1567 -109165.0709 301.4548 -161619.2275 -108796.3944 299.9758 -222.8367 -201.6486 760831.1321 32.6122 32.6481 PRESSURE: 2715000 -249.334 -23.4481 164.159 -23.4485 -92.9182 169.288 164.16 169.289 34.2489 GPRESSURE: 2715000 -209.748 82.2793 158.123 -164.916 -23.5085 110.484 155.653 140.838 27.2505 PRESSAVG: 2715000 -5.85772 -4.38711 25.8761 -4.38712 -19.927 -35.2727 25.8761 -35.2727 -19.2337 GPRESSAVG: 2715000 -7.27132 -3.47687 28.0176 -6.40641 -19.0446 -34.8868 24.87 -36.2854 -19.3912 TIMING: 2715000 CPU: 8653.89, 0.00315038/step Wall: 8653.89, 0.00315038/step, 1.99961 hours remaining, 235.105469 MB of memory in use. ENERGY: 2715000 3984.1140 20499.7578 14484.6016 244.6802 -202884.5868 2271.1923 0.0000 0.0000 52227.1720 -109173.0690 300.1503 -161400.2409 -108817.5999 299.6403 -102.6679 -68.6686 761686.7176 -15.0061 -15.2357 PRESSURE: 2715200 150.399 -31.0124 20.6567 -31.0131 213.11 45.8812 20.6565 45.8808 -193.583 GPRESSURE: 2715200 150.762 2.54376 -6.45804 27.6646 241.194 120.108 69.5534 -6.99102 -110.639 PRESSAVG: 2715200 39.433 -70.4714 11.2446 -70.4714 -39.9499 -4.63535 11.2446 -4.63531 5.664 GPRESSAVG: 2715200 40.1477 -70.6827 10.6374 -68.1003 -40.3242 -4.05753 11.7202 -6.62324 5.40546 TIMING: 2715200 CPU: 8654.52, 0.00315836/step Wall: 8654.52, 0.00315836/step, 2.00451 hours remaining, 235.105469 MB of memory in use. ENERGY: 2715200 4023.7623 20647.6168 14520.7154 241.4737 -202829.2709 2234.6427 0.0000 0.0000 51897.3599 -109263.7001 298.2548 -161161.0601 -108910.1025 300.0101 56.6419 93.7724 760039.9819 1.7157 1.7430 PRESSURE: 2715400 54.2975 -88.2083 -115.948 -88.208 -132.139 -272.44 -115.949 -272.441 -274.638 GPRESSURE: 2715400 122.677 -170.271 -149.215 27.5158 -111.528 -244.906 110.062 -212.086 -298.391 PRESSAVG: 2715400 -13.8129 -4.18887 0.158168 -4.18883 27.8666 8.24706 0.158246 8.24714 -7.9845 GPRESSAVG: 2715400 -14.3297 -4.44301 -0.849796 -5.08572 27.2729 6.69666 0.975463 11.2841 -7.17316 TIMING: 2715400 CPU: 8655.15, 0.00314137/step Wall: 8655.15, 0.00314137/step, 1.99355 hours remaining, 235.105469 MB of memory in use. ENERGY: 2715400 3994.4503 20698.6183 14431.0446 237.2856 -202959.6412 2189.6938 0.0000 0.0000 52147.0022 -109261.5465 299.6895 -161408.5487 -108912.6781 299.5075 -117.4934 -95.7472 759868.9179 2.0231 1.9234 PRESSURE: 2715600 -242.773 -183.171 113.367 -183.171 -595.551 -189.702 113.368 -189.702 -335.673 GPRESSURE: 2715600 -245.609 -204.371 27.8084 -318.941 -454.45 -169.648 126.501 -230.397 -387.593 PRESSAVG: 2715600 121.63 -21.7902 21.0173 -21.7902 -90.7133 -44.5428 21.0173 -44.5429 -26.7456 GPRESSAVG: 2715600 120.444 -21.1913 21.2034 -23.9713 -88.9934 -43.077 21.2861 -43.1109 -27.5483 TIMING: 2715600 CPU: 8655.78, 0.00313602/step Wall: 8655.78, 0.00313602/step, 1.98998 hours remaining, 235.105469 MB of memory in use. ENERGY: 2715600 3992.4433 20510.5762 14517.5585 246.9784 -202913.9674 2230.7080 0.0000 0.0000 52193.6624 -109222.0405 299.9577 -161415.7029 -108858.9328 299.8884 -391.3322 -362.5506 760709.7980 1.3903 1.3007 PRESSURE: 2715800 366.287 26.3971 -23.6557 26.3973 -26.7995 -1.23498 -23.6555 -1.23488 355.504 GPRESSURE: 2715800 430.747 51.1249 65.6541 51.6765 -12.037 -89.5565 32.2619 6.36954 378.103 PRESSAVG: 2715800 74.9333 -74.957 54.0921 -74.957 -75.6538 16.7095 54.0921 16.7095 11.5456 GPRESSAVG: 2715800 76.3177 -77.2967 55.3308 -71.8278 -77.4503 16.1669 52.7494 14.9018 12.2861 TIMING: 2715800 CPU: 8656.4, 0.00314305/step Wall: 8656.4, 0.00314305/step, 1.99427 hours remaining, 235.105469 MB of memory in use. ENERGY: 2715800 3907.6512 20701.1223 14446.5240 244.9460 -203127.8635 2480.9953 0.0000 0.0000 52025.0560 -109321.5687 298.9887 -161346.6248 -108965.2788 300.3777 231.6641 265.6042 760428.0393 3.6084 3.7178 PRESSURE: 2716000 84.563 -70.4107 21.4875 -70.41 -103.007 -186.397 21.4877 -186.398 -14.4546 GPRESSURE: 2716000 80.1278 -115.492 28.9451 19.4325 -20.7036 -160.8 86.0838 -22.1367 2.75903 PRESSAVG: 2716000 23.6597 -57.1584 -23.456 -57.1584 -1.81372 13.5035 -23.456 13.5034 -4.40859 GPRESSAVG: 2716000 24.1597 -57.3253 -24.3835 -57.9487 -2.26031 13.8774 -21.9437 14.694 -5.01243 TIMING: 2716000 CPU: 8657.03, 0.00314289/step Wall: 8657.03, 0.00314289/step, 1.99399 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2716000 3939.9222 20573.5420 14417.2781 240.1507 -203420.4122 2533.6432 0.0000 0.0000 52200.9486 -109514.9273 299.9996 -161715.8759 -109150.4267 299.5846 -10.9663 20.7277 758934.6108 5.8125 5.6290 PRESSURE: 2716200 -5.32539 -40.9138 155.562 -40.9147 -75.4195 -86.3675 155.561 -86.3689 -24.3432 GPRESSURE: 2716200 17.6913 -183.457 65.2662 32.4282 -98.2937 -93.5863 101.972 -182.53 59.7825 PRESSAVG: 2716200 17.0783 -3.24552 -53.257 -3.24551 -46.8947 -28.7993 -53.2571 -28.7993 11.5559 GPRESSAVG: 2716200 16.3775 -3.75594 -53.5642 -2.26173 -47.237 -29.0497 -55.6068 -30.3721 12.2214 TIMING: 2716200 CPU: 8657.67, 0.00316061/step Wall: 8657.67, 0.00316061/step, 2.00506 hours remaining, 235.105469 MB of memory in use. ENERGY: 2716200 3893.2407 20672.3274 14435.2616 253.0949 -202771.6389 2092.1293 0.0000 0.0000 52053.5157 -109372.0692 299.1523 -161425.5850 -109016.6484 299.1545 -35.0294 -6.9400 761631.2476 -6.0868 -6.2127 LDB: ============= START OF LOAD BALANCING ============== 8670.09 LDB: ============== END OF LOAD BALANCING =============== 8670.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8670.09 LDB: ============= START OF LOAD BALANCING ============== 8670.4 LDB: Largest compute 7033 load 0.033262 is 17.0% of average load 0.195410 LDB: Average compute 0.004412 is 2.3% of average load 0.195410 LDB: TIME 8670.41 LOAD: AVG 0.19541 MAX 0.216458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 8670.41 LOAD: AVG 0.19541 MAX 0.216458 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 8670.41 LOAD: AVG 0.19541 MAX 0.216458 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 8670.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8670.42 PRESSURE: 2716400 60.2388 202.824 62.6039 202.824 92.209 34.8531 62.6037 34.8529 -180.377 GPRESSURE: 2716400 69.1786 119.65 65.5168 133.375 211.423 3.28569 52.7576 134.621 -201.796 PRESSAVG: 2716400 82.7623 -36.7189 -54.1996 -36.719 -11.4772 23.531 -54.1996 23.531 4.51993 GPRESSAVG: 2716400 81.7171 -34.2686 -51.5067 -40.7454 -10.7547 26.0017 -54.5766 24.2875 4.68012 TIMING: 2716400 CPU: 8658.31, 0.00322173/step Wall: 8658.31, 0.00322173/step, 2.04365 hours remaining, 234.304688 MB of memory in use. ENERGY: 2716400 3983.6600 20483.7330 14448.3839 230.3064 -202807.6923 2315.9954 0.0000 0.0000 51957.4889 -109388.1249 298.6004 -161345.6138 -109028.1575 299.5363 -9.3098 26.2683 760414.2132 25.2684 25.2142 PRESSURE: 2716600 -104.354 -32.8473 -204.822 -32.8484 -53.7286 49.5119 -204.823 49.5124 -82.111 GPRESSURE: 2716600 -134.926 -82.3291 -225.22 66.315 40.9172 12.0706 -233.287 120.024 -64.1251 PRESSAVG: 2716600 37.9916 -52.0687 -7.80695 -52.0687 -41.638 -6.75105 -7.80693 -6.75098 -8.29667 GPRESSAVG: 2716600 39.8514 -54.0774 -10.2751 -49.3882 -41.5441 -9.11137 -6.1703 -7.30883 -10.2666 TIMING: 2716600 CPU: 8658.94, 0.00316214/step Wall: 8658.94, 0.00316214/step, 2.00567 hours remaining, 234.765625 MB of memory in use. ENERGY: 2716600 3952.8511 20550.9459 14362.0118 242.9441 -202901.5367 2157.5716 0.0000 0.0000 52244.9765 -109390.2357 300.2526 -161635.2122 -109030.9692 299.0943 -80.0644 -52.7114 762014.2449 -3.9810 -3.9864 PRESSURE: 2716800 122.214 -2.95587 107.256 -2.95751 -302.924 78.9929 107.257 78.9927 -159.648 GPRESSURE: 2716800 91.9421 46.7799 158.288 -52.5468 -204.6 80.3938 -44.3348 69.0028 -135.87 PRESSAVG: 2716800 3.16467 -8.00081 -45.7057 -8.00079 -14.9152 -16.2814 -45.7056 -16.2814 17.2377 GPRESSAVG: 2716800 1.66965 -8.28535 -44.8015 -9.03667 -14.113 -16.9398 -47.3735 -15.24 18.1448 TIMING: 2716800 CPU: 8659.57, 0.00314297/step Wall: 8659.57, 0.00314296/step, 1.99334 hours remaining, 235.019531 MB of memory in use. ENERGY: 2716800 4028.1888 20443.7911 14411.6372 245.1598 -203466.4409 2795.1885 0.0000 0.0000 52245.9126 -109296.5628 300.2580 -161542.4754 -108939.0611 300.0549 -113.4526 -82.8427 762812.5525 1.8291 1.9005 PRESSURE: 2717000 -68.6825 -31.1307 181.839 -31.1308 -247.756 124.828 181.839 124.83 72.9272 GPRESSURE: 2717000 -16.2071 -32.9581 240.376 -119.036 -259.666 154.371 175.853 64.0428 97.0129 PRESSAVG: 2717000 -15.7245 -22.3376 -6.99322 -22.3377 5.75289 12.5709 -6.99312 12.5709 4.19313 GPRESSAVG: 2717000 -14.9285 -21.7158 -7.2758 -19.4798 5.24429 13.0678 -4.01363 11.655 4.25993 TIMING: 2717000 CPU: 8660.2, 0.00314588/step Wall: 8660.2, 0.00314588/step, 1.99501 hours remaining, 235.019531 MB of memory in use. ENERGY: 2717000 3947.0145 20621.5920 14437.3198 260.8437 -202934.4956 2293.4200 0.0000 0.0000 51974.2793 -109400.0262 298.6969 -161374.3056 -109045.0698 299.7884 -81.1704 -59.6199 761554.9723 -1.9261 -1.8081 PRESSURE: 2717200 236.339 165.685 177.944 165.685 203.871 -9.33528 177.945 -9.33473 115.584 GPRESSURE: 2717200 292.768 201.134 200.644 181.916 237.045 69.9172 92.946 -29.5749 119.574 PRESSAVG: 2717200 14.7008 -48.8128 -4.19794 -48.8128 14.6225 11.4396 -4.19797 11.4396 -18.904 GPRESSAVG: 2717200 16.0596 -44.0753 -4.58722 -51.932 14.0064 11.2764 -7.32477 12.4471 -19.3876 TIMING: 2717200 CPU: 8660.83, 0.00316601/step Wall: 8660.83, 0.00316601/step, 2.00761 hours remaining, 235.019531 MB of memory in use. ENERGY: 2717200 3940.9825 20532.8682 14368.6278 253.9434 -203071.1764 2618.0088 0.0000 0.0000 52013.6244 -109343.1214 298.9230 -161356.7458 -108986.6867 299.5306 185.2647 216.4626 759640.3020 3.4731 3.5595 PRESSURE: 2717400 -142.645 -130.212 -276.083 -130.212 -108.236 24.2346 -276.082 24.2338 44.6937 GPRESSURE: 2717400 -78.5799 -43.634 -255.845 -154.924 -95.2975 -4.79 -225.626 24.9372 48.9906 PRESSAVG: 2717400 -33.3388 -16.5659 -0.651488 -16.5658 15.9859 8.52786 -0.651499 8.52784 -16.6984 GPRESSAVG: 2717400 -34.2245 -20.2894 -0.0371622 -16.4558 17.1347 8.14646 0.0180915 7.80367 -16.5348 TIMING: 2717400 CPU: 8661.46, 0.0031511/step Wall: 8661.46, 0.0031511/step, 1.99797 hours remaining, 235.101562 MB of memory in use. ENERGY: 2717400 3976.8742 20606.6656 14437.6471 255.2576 -203439.9831 2485.5787 0.0000 0.0000 52232.0336 -109445.9262 300.1782 -161677.9598 -109087.7074 299.9413 -68.7290 -41.6289 761423.6010 -11.3504 -11.2082 PRESSURE: 2717600 228.254 2.91331 42.7321 2.91344 -113.595 34.1546 42.7318 34.1548 -171.1 GPRESSURE: 2717600 248.951 -43.5766 -36.207 -1.62758 -112.239 43.7547 76.9005 51.3186 -107.26 PRESSAVG: 2717600 10.6493 -39.6285 14.5334 -39.6284 -10.8368 19.4725 14.5333 19.4725 9.249 GPRESSAVG: 2717600 10.668 -39.8795 13.3505 -37.9247 -11.6039 19.242 15.0337 20.0114 10.1537 TIMING: 2717600 CPU: 8662.09, 0.00314137/step Wall: 8662.09, 0.00314137/step, 1.99163 hours remaining, 235.101562 MB of memory in use. ENERGY: 2717600 4048.1735 20501.4203 14420.9322 236.0185 -202984.9102 2290.7509 0.0000 0.0000 52039.1838 -109448.4310 299.0699 -161487.6148 -109082.6632 299.9954 -18.8137 9.8172 759468.5176 3.0205 3.0726 PRESSURE: 2717800 -44.1627 -83.8618 151.66 -83.8614 -177.501 -16.9474 151.659 -16.9477 372.291 GPRESSURE: 2717800 66.5178 -81.1816 59.8297 -68.0465 -157.062 -102.957 112.462 -0.718608 322.202 PRESSAVG: 2717800 -30.3343 -26.5255 21.7498 -26.5256 2.8231 7.01129 21.7498 7.01126 -1.25922 GPRESSAVG: 2717800 -30.068 -26.9764 23.001 -28.201 3.76451 6.85464 22.1886 5.83245 -2.55659 TIMING: 2717800 CPU: 8662.72, 0.00315263/step Wall: 8662.72, 0.00315263/step, 1.99859 hours remaining, 235.101562 MB of memory in use. ENERGY: 2717800 3991.5119 20605.9264 14457.9666 243.9076 -203311.8539 2422.3576 0.0000 0.0000 51990.1721 -109600.0116 298.7882 -161590.1837 -109233.2460 299.6332 50.2090 77.2194 759401.9067 -9.5901 -9.6200 PRESSURE: 2718000 1.84487 -94.2395 -0.690728 -94.24 406.294 157.416 -0.690458 157.416 389.473 GPRESSURE: 2718000 51.7143 1.93343 -24.7022 -57.9389 457.453 142.57 -19.0618 178.547 383.787 PRESSAVG: 2718000 -33.9533 -51.0513 76.1642 -51.0512 22.959 16.767 76.1642 16.767 -9.61947 GPRESSAVG: 2718000 -33.7917 -49.5154 75.7724 -51.9832 21.549 16.3161 75.1395 18.6232 -8.82952 TIMING: 2718000 CPU: 8663.35, 0.00316176/step Wall: 8663.35, 0.00316176/step, 2.00421 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 4042.6711 20389.2640 14453.0294 249.2860 -203805.4401 2633.1939 0.0000 0.0000 52074.7621 -109963.2336 299.2744 -162037.9958 -109595.5909 299.0184 265.8706 297.6513 758074.2244 -6.8713 -7.0241 PRESSURE: 2718200 -268.175 -125.032 34.0563 -125.033 -130.591 -110.452 34.0562 -110.452 73.44 GPRESSURE: 2718200 -231.323 -151.847 24.0926 -140.521 -134.322 -47.6484 81.6444 -152.378 121.867 PRESSAVG: 2718200 -45.3532 9.95938 5.47617 9.95941 53.624 -7.09367 5.47618 -7.09373 5.72384 GPRESSAVG: 2718200 -46.258 7.69741 4.81808 11.7512 54.3645 -6.58597 7.20845 -7.826 5.74272 TIMING: 2718200 CPU: 8663.98, 0.00315136/step Wall: 8663.98, 0.00315136/step, 1.99744 hours remaining, 235.101562 MB of memory in use. ENERGY: 2718200 3957.4885 20445.0270 14454.4301 244.2777 -203274.2473 2220.0969 0.0000 0.0000 52031.2683 -109921.6589 299.0244 -161952.9272 -109543.1990 298.8760 -108.4419 -81.2594 760803.3355 4.6649 4.6164 PRESSURE: 2718400 70.1668 -401.266 -147.688 -401.266 -75.0695 303.848 -147.689 303.848 -227.798 GPRESSURE: 2718400 121.217 -389.049 -204.75 -307.311 -33.3106 267.736 -148.195 328.622 -221.647 PRESSAVG: 2718400 -15.7244 -25.9653 25.7249 -25.9653 17.9964 -0.00696762 25.7249 -0.00704411 -9.1424 GPRESSAVG: 2718400 -16.3512 -26.5398 25.8394 -25.6742 18.6724 -0.403444 26.9956 0.295421 -9.30247 TIMING: 2718400 CPU: 8664.61, 0.00314801/step Wall: 8664.61, 0.00314801/step, 1.99514 hours remaining, 235.101562 MB of memory in use. ENERGY: 2718400 4055.0303 20488.9224 14430.3123 258.7061 -203413.3300 2323.7470 0.0000 0.0000 51817.3098 -110039.3020 297.7948 -161856.6119 -109677.2951 298.2890 -77.5669 -44.5804 760579.5531 -2.2901 -2.3271 PRESSURE: 2718600 289.925 17.4116 -149.998 17.412 92.0086 -84.5367 -149.998 -84.5367 229.411 GPRESSURE: 2718600 365.715 -26.7791 -53.6348 114.386 133.532 -85.075 -168.503 -34.4941 202.71 PRESSAVG: 2718600 -21.5719 -15.4568 30.4398 -15.4567 -10.0885 9.54388 30.4398 9.54395 10.4818 GPRESSAVG: 2718600 -20.6926 -13.4831 31.2457 -17.2056 -11.6918 9.92403 28.5955 7.85481 10.8926 TIMING: 2718600 CPU: 8665.24, 0.00314313/step Wall: 8665.24, 0.00314313/step, 1.99187 hours remaining, 235.101562 MB of memory in use. ENERGY: 2718600 3949.0592 20370.7144 14459.0363 240.3885 -203974.8331 2801.1584 0.0000 0.0000 52221.7080 -109932.7683 300.1189 -162154.4764 -109572.0237 298.2599 203.7813 233.9855 760813.1050 -7.0595 -7.1639 PRESSURE: 2718800 27.849 -11.1782 -249.264 -11.1777 -157.772 -25.656 -249.265 -25.656 -238.113 GPRESSURE: 2718800 27.9134 -29.4495 -203.849 -85.8524 -100.863 -32.1742 -197.745 14.4585 -205.103 PRESSAVG: 2718800 0.776089 -38.6342 17.4802 -38.6343 5.32899 26.9168 17.4802 26.9168 0.245343 GPRESSAVG: 2718800 0.933778 -40.1759 17.0277 -36.3444 5.08522 28.4195 17.3452 29.3432 -0.0733547 TIMING: 2718800 CPU: 8665.88, 0.00316524/step Wall: 8665.88, 0.00316524/step, 2.00571 hours remaining, 235.101562 MB of memory in use. ENERGY: 2718800 4031.8634 20558.0902 14439.4932 234.7371 -203108.3575 2277.5483 0.0000 0.0000 51850.5116 -109716.1138 297.9856 -161566.6254 -109355.1357 298.9925 -122.6788 -92.6840 759767.6374 2.1168 1.9819 PRESSURE: 2719000 97.428 -66.8696 -201.551 -66.8689 106.62 12.1746 -201.551 12.1743 206.963 GPRESSURE: 2719000 86.5634 -76.4606 -87.0307 -55.8713 176.317 -53.3548 -195.901 -51.3948 231.074 PRESSAVG: 2719000 12.6046 -36.0509 0.653851 -36.0509 -20.5325 -16.6326 0.653817 -16.6327 -31.8159 GPRESSAVG: 2719000 12.8675 -34.5981 0.786862 -36.6651 -19.1401 -19.1127 3.17886 -17.725 -32.7928 TIMING: 2719000 CPU: 8666.51, 0.00316817/step Wall: 8666.51, 0.00316817/step, 2.00739 hours remaining, 235.101562 MB of memory in use. ENERGY: 2719000 3868.5381 20320.8184 14431.7665 256.5319 -203274.8212 2429.9086 0.0000 0.0000 52047.6420 -109919.6157 299.1185 -161967.2577 -109551.1580 298.6646 137.0036 164.6513 760482.3419 -13.2479 -13.0218 PRESSURE: 2719200 183.311 12.0133 238.894 12.0127 242.354 43.7686 238.894 43.7689 367.353 GPRESSURE: 2719200 290.475 -64.6675 126.676 3.44823 207.65 87.4913 161.26 8.77406 397.55 PRESSAVG: 2719200 -35.4422 -0.00576663 55.3321 -0.00581486 48.6357 7.56542 55.3321 7.56538 -20.633 GPRESSAVG: 2719200 -35.6411 -4.81201 53.1275 1.35314 47.6019 7.35365 54.848 9.00435 -19.4733 TIMING: 2719200 CPU: 8667.14, 0.00314575/step Wall: 8667.14, 0.00314575/step, 1.993 hours remaining, 235.304688 MB of memory in use. ENERGY: 2719200 3977.3515 20364.5372 14413.5367 249.1047 -203528.3235 2847.1414 0.0000 0.0000 51743.1981 -109933.4539 297.3689 -161676.6519 -109577.5781 298.0687 264.3391 298.5585 760947.1563 -2.4798 -2.5042 PRESSURE: 2719400 -88.0487 -144.917 82.9599 -144.917 -214.251 -105.059 82.9602 -105.059 331.406 GPRESSURE: 2719400 47.9561 -189.314 149.684 -199.257 -233.839 -104.221 116.235 -48.1891 293.107 PRESSAVG: 2719400 4.56194 -56.2395 1.45108 -56.2395 1.36975 -13.8473 1.45103 -13.8473 -13.0169 GPRESSAVG: 2719400 5.58117 -54.3822 2.36333 -56.2377 -0.352715 -11.6043 0.571508 -14.6889 -12.7482 TIMING: 2719400 CPU: 8667.77, 0.00315576/step Wall: 8667.77, 0.00315576/step, 1.99917 hours remaining, 235.304688 MB of memory in use. ENERGY: 2719400 3954.8258 20278.2413 14454.1659 244.9337 -203226.2352 2455.8645 0.0000 0.0000 51993.7315 -109844.4724 298.8087 -161838.2039 -109476.6695 298.4558 9.7021 35.7414 761776.9175 -2.3617 -2.5066 PRESSURE: 2719600 160.626 -72.238 60.4689 -72.2374 -314.317 62.8372 60.4684 62.8362 43.6059 GPRESSURE: 2719600 192.808 -35.6402 -10.6394 -157.549 -215.898 107.221 69.9019 -68.7614 5.22089 PRESSAVG: 2719600 79.4367 -14.0558 -40.7931 -14.0557 -48.4857 50.0621 -40.7931 50.0622 -7.1072 GPRESSAVG: 2719600 78.6159 -11.8207 -40.1161 -14.7871 -47.2773 48.4952 -40.2295 50.5196 -7.0431 TIMING: 2719600 CPU: 8668.41, 0.00321178/step Wall: 8668.41, 0.00321178/step, 2.03448 hours remaining, 235.304688 MB of memory in use. ENERGY: 2719600 4007.7092 20457.4552 14443.2327 240.2278 -203074.4507 2237.8832 0.0000 0.0000 51848.0498 -109839.8927 297.9715 -161687.9426 -109480.9622 298.4853 -36.6951 -5.9564 760005.6761 7.9479 8.0985 PRESSURE: 2719800 72.4409 50.2757 89.0761 50.2752 -35.7058 89.2606 89.0767 89.2602 661.622 GPRESSURE: 2719800 186.689 -42.1413 73.8173 -83.0637 -68.847 62.1782 270.484 -8.14011 670.07 PRESSAVG: 2719800 40.3274 -8.08207 12.149 -8.08211 -10.6997 -5.09605 12.149 -5.09615 -20.8568 GPRESSAVG: 2719800 39.7889 -9.08384 12.383 -7.59442 -11.6095 -5.94971 12.504 -2.98693 -19.6262 TIMING: 2719800 CPU: 8669.05, 0.00316905/step Wall: 8669.05, 0.00316905/step, 2.00724 hours remaining, 235.304688 MB of memory in use. ENERGY: 2719800 3966.0834 20386.1285 14391.4140 255.8371 -203163.5149 2310.3142 0.0000 0.0000 51884.0830 -109969.6548 298.1785 -161853.7378 -109604.5231 298.6813 232.7856 262.6375 758948.7128 2.9236 2.8510 PRESSURE: 2720000 24.2053 -174.622 -45.6821 -174.622 -191.651 117.962 -45.6815 117.962 -32.778 GPRESSURE: 2720000 51.7371 -42.7835 -179.669 -233.174 -112.904 153.502 -58.2564 43.6726 -72.4758 PRESSAVG: 2720000 4.3086 -74.948 -39.6493 -74.948 -1.94594 27.0151 -39.6493 27.0151 -0.41125 GPRESSAVG: 2720000 6.11443 -74.0133 -40.539 -76.9782 -1.09724 28.1616 -40.955 24.1993 -2.58536 TIMING: 2720000 CPU: 8669.68, 0.00314779/step Wall: 8669.68, 0.00314779/step, 1.9936 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2720000 3891.4085 20459.5489 14378.0241 237.0788 -203669.8532 2389.8944 0.0000 0.0000 52264.0510 -110049.8476 300.3622 -162313.8986 -109679.5667 298.3952 -66.7411 -44.5474 757308.8313 0.6505 0.8106 PRESSURE: 2720200 -2.83304 -211.562 -200.405 -211.561 215.419 -405.442 -200.405 -405.442 287.639 GPRESSURE: 2720200 41.9205 -142.345 -125.623 -146.166 250.726 -355.337 -213.555 -366.76 297.975 PRESSAVG: 2720200 -31.3579 -88.2479 -5.60903 -88.2479 14.5966 -9.7621 -5.60911 -9.76205 -24.2511 GPRESSAVG: 2720200 -30.7777 -88.1406 -4.49146 -86.5921 13.5836 -9.86365 -6.55371 -9.82341 -23.6182 TIMING: 2720200 CPU: 8670.3, 0.00313849/step Wall: 8670.3, 0.00313849/step, 1.98754 hours remaining, 235.304688 MB of memory in use. ENERGY: 2720200 3980.0290 20517.0822 14417.6378 242.5223 -203419.5249 2489.3572 0.0000 0.0000 51970.4466 -109802.4499 298.6749 -161772.8965 -109438.5494 298.7526 166.7414 196.8740 759634.0281 -13.6708 -13.6041 LDB: ============= START OF LOAD BALANCING ============== 8682.72 LDB: ============== END OF LOAD BALANCING =============== 8682.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8682.73 LDB: ============= START OF LOAD BALANCING ============== 8683.04 LDB: Largest compute 7033 load 0.033513 is 17.2% of average load 0.195403 LDB: Average compute 0.004389 is 2.2% of average load 0.195403 LDB: TIME 8683.04 LOAD: AVG 0.195403 MAX 0.216813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 8683.04 LOAD: AVG 0.195403 MAX 0.216813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 8683.04 LOAD: AVG 0.195403 MAX 0.216813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 8683.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8683.05 PRESSURE: 2720400 -37.0573 11.9548 -190.157 11.9543 192.509 158.447 -190.157 158.447 68.9854 GPRESSURE: 2720400 93.1997 -161.979 -164.074 -91.417 151.999 158.357 -58.3892 -32.593 84.4888 PRESSAVG: 2720400 -13.4041 -23.806 -33.2659 -23.806 28.6493 -4.53889 -33.2659 -4.53887 -3.9413 GPRESSAVG: 2720400 -14.6254 -23.7625 -34.5038 -23.846 29.1584 -5.85365 -32.1449 -3.29987 -2.80153 TIMING: 2720400 CPU: 8670.94, 0.00320094/step Wall: 8670.94, 0.00320094/step, 2.02691 hours remaining, 236.449219 MB of memory in use. ENERGY: 2720400 3911.0273 20380.8135 14452.8107 237.6922 -203208.4480 2336.4848 0.0000 0.0000 52119.3908 -109770.2286 299.5309 -161889.6195 -109410.6980 298.4518 74.8123 109.8960 760260.5222 3.7680 3.9105 PRESSURE: 2720600 -11.4893 56.2605 -85.7154 56.2602 -27.3524 -24.7048 -85.7149 -24.7044 -306.545 GPRESSURE: 2720600 75.2661 125.757 -45.2247 44.8111 -24.4846 -51.1228 -127.218 -76.6555 -310.868 PRESSAVG: 2720600 42.5337 -7.09324 -43.9256 -7.09334 -38.1728 -28.1155 -43.9255 -28.1155 -4.58408 GPRESSAVG: 2720600 42.2225 -7.07159 -43.2881 -6.6742 -38.5692 -28.1468 -44.434 -27.9539 -4.85038 TIMING: 2720600 CPU: 8671.57, 0.00312625/step Wall: 8671.57, 0.00312625/step, 1.97944 hours remaining, 236.652344 MB of memory in use. ENERGY: 2720600 4040.8631 20336.1870 14336.0433 249.5533 -203824.3389 2851.8054 0.0000 0.0000 52089.0137 -109920.8732 299.3563 -162009.8870 -109557.0864 298.5883 -115.1290 -86.6955 759607.5198 -0.0744 -0.3990 PRESSURE: 2720800 109.386 -257.412 158.071 -257.413 -122.44 12.8785 158.071 12.8801 125.484 GPRESSURE: 2720800 172.079 -314.606 210.341 -97.2307 -36.0441 -17.4944 53.2772 128.815 62.5541 PRESSAVG: 2720800 -17.3948 -44.5787 -74.3545 -44.5787 11.8164 -27.0231 -74.3545 -27.0231 -3.8731 GPRESSAVG: 2720800 -17.4073 -44.6027 -73.6741 -43.4177 11.9864 -26.2297 -76.0693 -28.4605 -4.58849 TIMING: 2720800 CPU: 8672.2, 0.0031454/step Wall: 8672.2, 0.0031454/step, 1.99139 hours remaining, 236.652344 MB of memory in use. ENERGY: 2720800 3994.9568 20445.4960 14363.3347 244.0764 -203078.7664 2204.7030 0.0000 0.0000 52187.5469 -109638.6526 299.9225 -161826.1995 -109262.4710 299.1138 37.4768 66.1964 760906.5564 -3.1505 -3.3364 PRESSURE: 2721000 97.0429 130.844 -35.3302 130.844 -28.7201 -29.7672 -35.3303 -29.7679 60.8665 GPRESSURE: 2721000 140.28 75.3961 -16.8744 -1.57845 -5.32445 36.9793 -100.536 -4.60253 76.7849 PRESSAVG: 2721000 -0.618303 -64.0478 26.7065 -64.0479 -35.7513 -46.9955 26.7065 -46.9955 -11.1425 GPRESSAVG: 2721000 -0.630983 -64.3447 25.6048 -65.7165 -37.0872 -46.2589 27.9343 -45.1109 -10.3914 TIMING: 2721000 CPU: 8672.82, 0.00313004/step Wall: 8672.82, 0.00313004/step, 1.98149 hours remaining, 236.652344 MB of memory in use. ENERGY: 2721000 3931.7895 20459.3651 14405.6533 221.4669 -203486.8381 2412.8745 0.0000 0.0000 52320.1294 -109735.5594 300.6845 -162055.6889 -109369.8966 299.3278 43.0631 70.5802 760081.7390 -15.8373 -16.0365 PRESSURE: 2721200 -270.053 -162.71 -420.769 -162.71 -337.62 2.48783 -420.768 2.48587 -143.466 GPRESSURE: 2721200 -222.836 -133.57 -425.11 -158.48 -300.347 -106.573 -235.324 40.8268 -141.437 PRESSAVG: 2721200 13.1592 -58.2058 48.9804 -58.2058 54.5347 -4.18336 48.9804 -4.18341 -11.0333 GPRESSAVG: 2721200 11.4782 -57.678 48.9013 -58.0481 55.7918 -5.8748 50.9637 -6.76636 -10.6248 TIMING: 2721200 CPU: 8673.45, 0.003146/step Wall: 8673.45, 0.00314599/step, 1.99141 hours remaining, 236.652344 MB of memory in use. ENERGY: 2721200 3935.1986 20412.4904 14438.8835 242.9023 -203299.6350 2384.7819 0.0000 0.0000 51874.0675 -110011.3107 298.1210 -161885.3783 -109659.7354 298.6675 -250.3796 -221.5401 759352.4409 18.8868 18.8817 PRESSURE: 2721400 -76.563 -194.987 271.103 -194.987 -190.419 52.3365 271.103 52.3358 -9.28008 GPRESSURE: 2721400 12.3956 -218.426 149.834 -250.432 -266.247 159.661 95.3094 117.882 59.0765 PRESSAVG: 2721400 9.49436 -60.3965 12.0395 -60.3966 15.7795 -0.6567 12.0395 -0.656791 -7.70684 GPRESSAVG: 2721400 10.5978 -61.6972 12.1489 -61.0454 15.2075 -0.299154 10.2554 0.249661 -8.0975 TIMING: 2721400 CPU: 8674.08, 0.00314257/step Wall: 8674.08, 0.00314257/step, 1.98907 hours remaining, 236.652344 MB of memory in use. ENERGY: 2721400 3895.7522 20535.3061 14367.1121 238.3012 -203551.6314 2418.8842 0.0000 0.0000 52058.2927 -110037.9829 299.1797 -162096.2756 -109672.9481 297.9757 -92.0874 -64.9248 761526.4495 5.8557 5.9026 PRESSURE: 2721600 27.2752 11.5962 -18.4071 11.5959 -391.166 6.5517 -18.4079 6.55118 -5.0259 GPRESSURE: 2721600 12.4586 -139.668 17.5716 41.5806 -348.942 12.4952 -55.6789 34.3408 58.9235 PRESSAVG: 2721600 -31.276 -40.0971 -3.84384 -40.0972 25.271 0.697093 -3.84385 0.697094 0.589889 GPRESSAVG: 2721600 -31.4397 -41.3073 -3.26937 -38.9738 25.4535 2.64983 -3.90908 0.114981 0.665838 TIMING: 2721600 CPU: 8674.71, 0.00313956/step Wall: 8674.71, 0.00313956/step, 1.98699 hours remaining, 236.652344 MB of memory in use. ENERGY: 2721600 3849.6798 20564.0227 14477.4922 238.9177 -203216.6686 2276.2377 0.0000 0.0000 51997.2089 -109813.1097 298.8287 -161810.3186 -109453.1857 298.5366 -122.9723 -92.5200 759020.8879 -1.8050 -1.7735 PRESSURE: 2721800 296.508 57.0651 -203.617 57.0647 302.481 155.226 -203.617 155.225 110.321 GPRESSURE: 2721800 391.682 123.561 -256.339 33.7044 342.438 219.581 -65.5207 113.617 59.7179 PRESSAVG: 2721800 25.1119 -41.6085 -6.88797 -41.6085 -24.5277 -13.1411 -6.88808 -13.1411 3.7773 GPRESSAVG: 2721800 24.457 -38.2346 -8.42922 -43.6066 -24.5244 -15.3251 -6.09369 -13.805 3.79257 TIMING: 2721800 CPU: 8675.34, 0.00313744/step Wall: 8675.34, 0.00313744/step, 1.98548 hours remaining, 236.652344 MB of memory in use. ENERGY: 2721800 3987.0023 20527.5388 14434.7144 239.6119 -203952.0477 2962.9225 0.0000 0.0000 51880.9482 -109919.3095 298.1605 -161800.2577 -109570.3959 299.4609 236.4366 264.6125 758889.8858 1.4539 1.2417 PRESSURE: 2722000 -106.83 -287.648 -103.225 -287.649 -8.5487 92.1992 -103.225 92.1988 322.821 GPRESSURE: 2722000 -74.9397 -233.837 -64.711 -218.594 34.8308 125.387 -135.613 42.2595 326.372 PRESSAVG: 2722000 -3.41906 -20.2228 -1.26068 -20.2228 -14.586 26.1412 -1.26075 26.1412 15.7683 GPRESSAVG: 2722000 -2.5731 -21.9336 -0.39674 -18.3326 -13.999 27.0832 -1.79361 26.1214 14.7149 TIMING: 2722000 CPU: 8675.97, 0.0031666/step Wall: 8675.97, 0.0031666/step, 2.00375 hours remaining, 236.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2722000 3952.5283 20407.0782 14458.4739 236.6215 -203739.8014 2613.2662 0.0000 0.0000 52035.1962 -110036.6372 299.0470 -162071.8334 -109673.1411 298.5628 69.1472 95.4210 760546.0108 -0.7456 -0.6191 PRESSURE: 2722200 530.141 200.344 -12.052 200.343 58.7837 148.693 -12.0512 148.695 -57.0449 GPRESSURE: 2722200 557.271 76.5943 32.0664 -1.46529 168.54 163.544 18.4698 78.5815 -83.3353 PRESSAVG: 2722200 -7.0518 -6.34909 -15.1279 -6.34907 -13.0035 8.71545 -15.1278 8.7154 18.865 GPRESSAVG: 2722200 -7.56324 -5.96592 -14.9629 -8.72492 -12.7259 7.2747 -13.8252 11.6905 19.3537 TIMING: 2722200 CPU: 8676.6, 0.00315878/step Wall: 8676.6, 0.00315878/step, 1.99863 hours remaining, 236.652344 MB of memory in use. ENERGY: 2722200 4022.7754 20335.6475 14357.7482 237.0157 -203573.8669 2589.7800 0.0000 0.0000 52084.9845 -109945.9156 299.3331 -162030.9001 -109583.2042 298.3755 177.2932 214.1586 760791.4938 -0.3968 -0.3118 PRESSURE: 2722400 -170.21 -102.508 146.854 -102.508 -370.03 62.6625 146.854 62.6617 -76.8293 GPRESSURE: 2722400 -95.4129 -39.1159 98.647 -68.6119 -444.536 110.768 161.822 -64.8684 -7.26965 PRESSAVG: 2722400 -5.32684 -30.5655 7.15528 -30.5654 -7.33422 -20.092 7.15526 -20.092 4.44459 GPRESSAVG: 2722400 -4.35031 -30.5101 7.24016 -26.5561 -9.16117 -19.7649 9.13694 -22.128 4.69621 TIMING: 2722400 CPU: 8677.23, 0.00315747/step Wall: 8677.23, 0.00315747/step, 1.99763 hours remaining, 236.652344 MB of memory in use. ENERGY: 2722400 3962.2761 20322.4430 14500.7005 263.9273 -203145.7408 2282.4029 0.0000 0.0000 51950.1622 -109863.8287 298.5583 -161813.9909 -109493.9921 298.2781 -205.6900 -182.4061 761932.2113 -2.7388 -2.9384 PRESSURE: 2722600 -72.9995 -181.136 121.913 -181.136 -114.124 -252.051 121.913 -252.051 175.476 GPRESSURE: 2722600 -83.5509 -230.668 108.354 -88.3694 -4.22301 -152.337 97.2602 -78.0442 170.02 PRESSAVG: 2722600 67.3566 -39.8026 -20.4261 -39.8026 -59.7035 57.0375 -20.4261 57.0375 -41.2183 GPRESSAVG: 2722600 65.6094 -40.1556 -21.2625 -42.7769 -57.6692 57.5295 -23.5073 57.7024 -41.0885 TIMING: 2722600 CPU: 8677.86, 0.00314091/step Wall: 8677.86, 0.00314091/step, 1.98697 hours remaining, 236.906250 MB of memory in use. ENERGY: 2722600 4019.1386 20469.5981 14398.5376 237.3730 -203323.2321 2557.2324 0.0000 0.0000 52102.6463 -109538.7060 299.4346 -161641.3524 -109177.8453 299.0771 -3.8824 27.4155 760297.5584 -11.1884 -11.0494 PRESSURE: 2722800 29.7849 259.15 -463.317 259.15 104.401 199.206 -463.317 199.207 102.953 GPRESSURE: 2722800 82.1946 157.8 -435.796 96.6636 183.893 157.516 -291.512 176.103 57.0771 PRESSAVG: 2722800 57.6162 -65.8884 43.3464 -65.8885 -16.4191 24.3429 43.3464 24.3429 0.637707 GPRESSAVG: 2722800 58.4111 -65.4767 44.6376 -63.3523 -15.6327 25.0297 43.5715 23.2762 -0.832794 TIMING: 2722800 CPU: 8678.49, 0.00315614/step Wall: 8678.49, 0.00315614/step, 1.99644 hours remaining, 236.906250 MB of memory in use. ENERGY: 2722800 3920.7136 20503.8033 14426.8590 232.9987 -203224.3548 2485.6891 0.0000 0.0000 52083.0082 -109571.2829 299.3218 -161654.2912 -109190.0436 299.6849 79.0462 107.7217 760703.0662 13.9449 13.9819 PRESSURE: 2723000 -421.921 192.754 82.5902 192.755 56.1961 -220.117 82.5904 -220.116 -39.0095 GPRESSURE: 2723000 -276.911 243.1 112.204 234.093 2.93324 -300.781 77.883 -244.159 -26.7741 PRESSAVG: 2723000 43.4049 -37.2809 6.1085 -37.281 -51.1149 14.8494 6.10842 14.8494 -4.0583 GPRESSAVG: 2723000 44.1191 -37.4521 5.61976 -39.1609 -52.0396 15.969 4.42948 15.9498 -3.56545 TIMING: 2723000 CPU: 8679.12, 0.00313389/step Wall: 8679.12, 0.00313389/step, 1.98219 hours remaining, 236.906250 MB of memory in use. ENERGY: 2723000 3984.1401 20470.4973 14501.9596 273.1617 -203363.1907 2361.6708 0.0000 0.0000 52088.5532 -109683.2080 299.3536 -161771.7612 -109320.0439 299.0846 -134.9115 -100.2505 762044.1119 -3.9228 -3.8287 PRESSURE: 2723200 39.7865 -60.3622 -193.535 -60.3624 -4.32923 -191.373 -193.535 -191.373 -286.246 GPRESSURE: 2723200 24.6144 -131.186 -130.457 -88.4507 101.245 -93.3663 -148.894 -199.195 -281.184 PRESSAVG: 2723200 3.9062 11.2129 17.0998 11.2129 -7.73139 12.1448 17.0998 12.1447 -25.6342 GPRESSAVG: 2723200 3.10529 10.3918 16.4382 10.4893 -8.73523 10.8072 21.118 11.416 -23.9632 TIMING: 2723200 CPU: 8679.75, 0.00313936/step Wall: 8679.75, 0.00313936/step, 1.98547 hours remaining, 236.906250 MB of memory in use. ENERGY: 2723200 3983.3609 20546.6100 14523.4328 233.8369 -203510.9417 2453.9276 0.0000 0.0000 52128.8259 -109640.9475 299.5851 -161769.7734 -109282.5436 299.2863 -83.5963 -51.7750 760299.6767 -9.8198 -9.8644 PRESSURE: 2723400 -174.745 232.094 36.4672 232.094 -130.78 10.1741 36.4674 10.1754 -378.33 GPRESSURE: 2723400 -150.253 249.585 9.7237 84.71 -80.5074 -16.2159 -55.5745 43.8519 -360.49 PRESSAVG: 2723400 -8.71274 -1.73044 -38.2249 -1.73041 -15.3211 39.6179 -38.2248 39.6179 5.38154 GPRESSAVG: 2723400 -9.65962 1.08534 -37.7583 -2.14221 -13.5153 40.5512 -37.8093 37.4848 4.67031 TIMING: 2723400 CPU: 8680.38, 0.00315375/step Wall: 8680.38, 0.00315375/step, 1.9944 hours remaining, 236.906250 MB of memory in use. ENERGY: 2723400 4013.9123 20600.4518 14472.9200 225.1995 -203047.4092 2272.5228 0.0000 0.0000 51985.0544 -109477.3485 298.7588 -161462.4028 -109118.8826 299.2905 -227.9517 -197.0837 761259.0741 -6.2174 -6.1682 PRESSURE: 2723600 -11.9801 59.7774 149.433 59.7777 62.3614 215.377 149.432 215.376 40.9662 GPRESSURE: 2723600 -14.1001 75.6787 59.3422 76.9193 108.07 216.258 220.442 230.546 76.9316 PRESSAVG: 2723600 -26.1415 -15.2489 -0.272713 -15.2488 -9.42905 41.1112 -0.272724 41.1112 18.5873 GPRESSAVG: 2723600 -26.3357 -14.902 -0.737984 -14.7918 -9.84743 40.6423 -1.52626 42.2944 19.0458 TIMING: 2723600 CPU: 8681.01, 0.00314783/step Wall: 8681.01, 0.00314783/step, 1.99048 hours remaining, 236.906250 MB of memory in use. ENERGY: 2723600 4033.1247 20417.8392 14523.3782 249.5166 -203504.0395 2713.7060 0.0000 0.0000 52018.4448 -109548.0300 298.9507 -161566.4747 -109180.6991 299.3946 30.4492 56.9673 761362.7911 -5.6611 -5.7125 PRESSURE: 2723800 -60.7732 140.84 -120.775 140.839 -137.018 -27.1393 -120.775 -27.1397 -365.641 GPRESSURE: 2723800 -36.7333 28.5095 -135.628 205.434 -96.2075 1.59046 -3.81995 -127.312 -341.567 PRESSAVG: 2723800 8.28186 -35.6695 -24.4068 -35.6694 -1.88689 34.5412 -24.4067 34.5411 -1.07973 GPRESSAVG: 2723800 8.40123 -39.4199 -23.2487 -34.0577 -1.07072 33.4298 -23.8527 35.9747 -1.96953 TIMING: 2723800 CPU: 8681.64, 0.00313947/step Wall: 8681.64, 0.00313947/step, 1.98502 hours remaining, 236.906250 MB of memory in use. ENERGY: 2723800 4021.2547 20498.4479 14545.2488 234.2391 -203501.2168 2543.1230 0.0000 0.0000 52138.9058 -109519.9975 299.6430 -161658.9033 -109156.3619 299.6764 -187.8107 -158.1691 760097.6409 1.7717 1.7870 PRESSURE: 2724000 -328.993 51.6102 -47.4191 51.6102 96.346 76.2989 -47.4183 76.2995 197.434 GPRESSURE: 2724000 -213.522 27.4221 -14.0207 23.9551 89.7437 159.136 -119.467 -11.844 176.481 PRESSAVG: 2724000 16.2474 -36.3543 -15.4224 -36.3542 -0.237405 42.6626 -15.4223 42.6626 41.0069 GPRESSAVG: 2724000 17.7519 -34.9828 -14.5722 -36.3034 -1.49695 43.8453 -16.8276 41.1146 41.407 TIMING: 2724000 CPU: 8682.26, 0.00313215/step Wall: 8682.26, 0.00313215/step, 1.98022 hours remaining, 236.906250 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: 2724000 3949.4532 20482.0415 14505.8234 239.6313 -203182.7016 2459.7599 0.0000 0.0000 51883.9356 -109662.0567 298.1777 -161545.9923 -109291.8363 299.2584 -11.7377 17.5676 760809.1559 19.0056 19.2207 PRESSURE: 2724200 183.045 66.3238 -12.9658 66.3231 -45.19 360.878 -12.9657 360.877 -392.465 GPRESSURE: 2724200 162.119 -2.15764 -96.1272 -38.5163 8.06575 418.006 22.393 303.856 -377.802 PRESSAVG: 2724200 -5.46471 -25.7316 -4.28307 -25.7316 33.1335 7.15403 -4.28307 7.15402 -4.96587 GPRESSAVG: 2724200 -6.33714 -23.8874 -5.17261 -28.312 33.2093 6.46278 -2.69455 8.6656 -4.2497 TIMING: 2724200 CPU: 8682.89, 0.00313118/step Wall: 8682.89, 0.00313118/step, 1.97943 hours remaining, 236.906250 MB of memory in use. ENERGY: 2724200 3865.7271 20517.8465 14517.3294 261.1165 -204097.6659 2817.0151 0.0000 0.0000 52297.8539 -109820.7775 300.5565 -162118.6314 -109454.7147 299.7648 -84.8698 -69.2056 759149.7162 7.5676 7.5408 LDB: ============= START OF LOAD BALANCING ============== 8695.31 LDB: ============== END OF LOAD BALANCING =============== 8695.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8695.31 LDB: ============= START OF LOAD BALANCING ============== 8695.62 LDB: Largest compute 7047 load 0.031655 is 16.2% of average load 0.195417 LDB: Average compute 0.004392 is 2.2% of average load 0.195417 LDB: TIME 8695.63 LOAD: AVG 0.195417 MAX 0.216852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.754 MB LDB: TIME 8695.63 LOAD: AVG 0.195417 MAX 0.216852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: TIME 8695.63 LOAD: AVG 0.195417 MAX 0.216852 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: ============== END OF LOAD BALANCING =============== 8695.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8695.63 PRESSURE: 2724400 -30.4462 201.341 -186.82 201.342 32.1939 -122.969 -186.819 -122.969 86.4382 GPRESSURE: 2724400 2.99334 159.901 -153.892 164.783 101.812 -162.064 -132.86 -15.1932 68.1071 PRESSAVG: 2724400 -7.08854 -13.5165 -33.4673 -13.5166 45.9641 -29.8785 -33.4674 -29.8784 16.4023 GPRESSAVG: 2724400 -7.22214 -14.8598 -33.2093 -11.7738 47.0208 -29.812 -33.9543 -28.8021 15.0687 TIMING: 2724400 CPU: 8683.53, 0.00319961/step Wall: 8683.53, 0.00319961/step, 2.02251 hours remaining, 234.144531 MB of memory in use. ENERGY: 2724400 3995.1058 20380.0244 14481.8144 258.1310 -203478.4997 2535.0128 0.0000 0.0000 52216.9893 -109611.4220 300.0918 -161828.4113 -109241.6023 299.6794 29.3953 57.6375 759167.9395 18.4260 18.2891 PRESSURE: 2724600 13.1863 43.6231 69.1605 43.6238 20.119 -126.008 69.1615 -126.009 -146.335 GPRESSURE: 2724600 -46.7583 79.2058 38.1222 110.217 34.165 -150.803 54.2786 -47.3959 -0.492263 PRESSAVG: 2724600 14.5017 33.5524 -27.323 33.5524 -6.47366 18.1321 -27.3229 18.1322 -13.1765 GPRESSAVG: 2724600 14.7544 33.9348 -28.5761 31.7145 -7.26408 18.9748 -26.4646 18.3075 -12.6365 TIMING: 2724600 CPU: 8684.15, 0.00312683/step Wall: 8684.15, 0.00312683/step, 1.97633 hours remaining, 234.605469 MB of memory in use. ENERGY: 2724600 3991.5043 20593.7052 14505.8318 252.2983 -203782.3277 2692.2051 0.0000 0.0000 52041.6215 -109705.1616 299.0839 -161746.7830 -109340.3868 299.7117 -37.6766 -4.3618 759998.3842 -1.7162 -1.7154 PRESSURE: 2724800 -309.366 -197.828 -122.21 -197.828 -395.569 171.981 -122.21 171.982 -341.904 GPRESSURE: 2724800 -312.538 -130.916 -45.8444 -280.512 -222.854 101.926 9.72221 176.732 -405.863 PRESSAVG: 2724800 38.3106 -72.695 -29.5231 -72.6951 -50.5121 5.66341 -29.523 5.66342 -5.58986 GPRESSAVG: 2724800 38.189 -70.2456 -28.816 -71.829 -49.7586 5.26424 -29.5744 3.1175 -5.94404 TIMING: 2724800 CPU: 8684.78, 0.00314679/step Wall: 8684.78, 0.00314679/step, 1.98877 hours remaining, 234.675781 MB of memory in use. ENERGY: 2724800 3990.7485 20605.8505 14460.0287 262.3161 -203434.5996 2411.4657 0.0000 0.0000 51932.9187 -109771.2715 298.4592 -161704.1901 -109405.1992 299.0393 -348.9464 -313.7518 761155.4778 -5.9305 -5.8379 PRESSURE: 2725000 -228.289 85.1488 60.2776 85.1486 -107.331 -1.49468 60.2779 -1.49554 287.934 GPRESSURE: 2725000 -134.827 13.16 133.326 179.846 -129.632 -22.3045 111.826 -88.7375 296.993 PRESSAVG: 2725000 38.095 -37.3735 32.7858 -37.3735 -31.054 61.3337 32.7858 61.3337 6.9785 GPRESSAVG: 2725000 37.9629 -40.1587 33.1068 -36.2852 -31.2563 62.1605 31.8352 62.6291 7.05583 TIMING: 2725000 CPU: 8685.41, 0.00313837/step Wall: 8685.41, 0.00313837/step, 1.98328 hours remaining, 234.675781 MB of memory in use. ENERGY: 2725000 3951.3588 20511.2961 14482.9736 256.2931 -203842.9139 2829.8431 0.0000 0.0000 51962.7700 -109848.3791 298.6308 -161811.1491 -109486.8786 299.0562 -15.8953 10.8448 759730.4961 4.6732 4.5875 PRESSURE: 2725200 -149.27 70.7649 -87.5722 70.7654 44.5189 101.644 -87.5732 101.643 187.414 GPRESSURE: 2725200 -146.53 133.436 -86.9807 75.2779 126.375 63.7767 -210.876 5.22989 172.171 PRESSAVG: 2725200 18.7593 7.69976 18.6644 7.69981 -5.40136 35.0516 18.6644 35.0516 0.580634 GPRESSAVG: 2725200 18.9344 9.70291 18.4358 7.68568 -5.94899 34.6109 17.0815 34.9865 1.18732 TIMING: 2725200 CPU: 8686.04, 0.00315011/step Wall: 8686.04, 0.00315011/step, 1.99052 hours remaining, 234.675781 MB of memory in use. ENERGY: 2725200 3895.6495 20478.5759 14534.9338 263.1416 -203276.1424 2279.1667 0.0000 0.0000 51893.3154 -109931.3596 298.2316 -161824.6750 -109563.2096 298.7839 27.5545 50.6721 759335.8347 4.6462 4.7243 PRESSURE: 2725400 -120.787 -87.376 -10.0412 -87.3757 -212.214 -56.8712 -10.0399 -56.8713 -29.6484 GPRESSURE: 2725400 -87.7904 3.423 -23.939 8.0359 -120.737 -23.0744 -8.2595 -68.1154 -36.9793 PRESSAVG: 2725400 -32.6008 -2.54549 -11.6618 -2.54556 4.27923 14.9527 -11.6617 14.9527 31.3669 GPRESSAVG: 2725400 -32.4654 -2.95735 -12.8563 -2.01718 5.25049 15.6327 -10.279 13.5478 30.2362 TIMING: 2725400 CPU: 8686.67, 0.00314378/step Wall: 8686.67, 0.00314378/step, 1.98634 hours remaining, 234.675781 MB of memory in use. ENERGY: 2725400 3968.3135 20473.9796 14431.7292 254.5695 -203466.2457 2384.5754 0.0000 0.0000 51887.2589 -110065.8195 298.1968 -161953.0784 -109696.6669 298.5469 -120.8829 -81.8356 757767.4138 1.0151 1.0071 PRESSURE: 2725600 -418.176 -47.319 244.225 -47.3193 -270.591 -147.726 244.225 -147.726 51.9098 GPRESSURE: 2725600 -375.321 7.4349 216.378 26.242 -215.644 -197.724 294.947 -165.187 61.268 PRESSAVG: 2725600 -59.8816 -18.987 36.0107 -18.987 66.6114 -60.4268 36.0109 -60.4269 -19.8742 GPRESSAVG: 2725600 -59.669 -19.5202 38.3532 -19.8853 66.4583 -61.0737 36.3693 -59.3096 -20.4757 TIMING: 2725600 CPU: 8687.3, 0.00313523/step Wall: 8687.3, 0.00313523/step, 1.98077 hours remaining, 234.675781 MB of memory in use. ENERGY: 2725600 4015.3506 20323.9349 14488.3539 243.4097 -203065.0536 1932.0747 0.0000 0.0000 52098.3855 -109963.5442 299.4101 -162061.9297 -109599.9614 298.2254 -212.2859 -176.5656 759282.4309 -4.3815 -4.5621 PRESSURE: 2725800 218.341 -82.6323 55.1987 -82.6317 -349.369 -70.9983 55.1991 -70.9973 -384.746 GPRESSURE: 2725800 219.913 -125.682 57.419 -113.369 -247.992 -115.513 4.5123 -4.37329 -394.263 PRESSAVG: 2725800 68.871 -36.3512 21.3431 -36.3512 3.09991 -32.5259 21.3431 -32.5259 27.5183 GPRESSAVG: 2725800 68.7864 -36.4447 19.7909 -36.2111 2.16175 -32.3278 21.8585 -32.5346 28.8296 TIMING: 2725800 CPU: 8687.92, 0.00314084/step Wall: 8687.92, 0.00314084/step, 1.98414 hours remaining, 234.675781 MB of memory in use. ENERGY: 2725800 4047.5018 20468.8920 14449.4193 240.0602 -203915.2491 2598.8859 0.0000 0.0000 52091.9021 -110018.5878 299.3729 -162110.4899 -109655.2595 298.7105 -171.9249 -140.7808 758779.6477 33.1631 33.2592 PRESSURE: 2726000 -215.248 46.7829 49.8879 46.7828 -311.803 337.144 49.8871 337.144 -290.111 GPRESSURE: 2726000 -228.76 32.023 4.27803 50.4613 -181.236 323.435 -34.2586 407.36 -326.939 PRESSAVG: 2726000 34.1399 -41.4222 21.2812 -41.4221 -5.62953 -6.85656 21.2812 -6.85655 6.54183 GPRESSAVG: 2726000 34.3193 -42.8708 21.1494 -39.9504 -4.53349 -5.80029 22.94 -7.78813 5.02436 TIMING: 2726000 CPU: 8688.55, 0.00314555/step Wall: 8688.55, 0.00314555/step, 1.98694 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2726000 3936.4753 20492.5679 14458.8762 227.1904 -203606.6435 2387.3668 0.0000 0.0000 51811.6319 -110292.5350 297.7622 -162104.1669 -109933.4244 298.4786 -272.3872 -245.6446 757697.6123 11.6840 11.6034 PRESSURE: 2726200 -123.961 -15.1615 -53.1972 -15.1623 -232.137 -149.308 -53.1972 -149.308 -33.5242 GPRESSURE: 2726200 -74.1576 2.64301 -70.5667 -24.5616 -187.377 -167.889 -87.5525 -196.353 -21.2171 PRESSAVG: 2726200 -26.7503 24.7424 -7.99553 24.7425 -44.4351 -5.3281 -7.99556 -5.32817 -29.7044 GPRESSAVG: 2726200 -26.2327 26.7343 -8.14874 24.0916 -45.5758 -6.59864 -9.46435 -4.96781 -29.0691 TIMING: 2726200 CPU: 8689.19, 0.00316873/step Wall: 8689.19, 0.00316873/step, 2.00141 hours remaining, 234.675781 MB of memory in use. ENERGY: 2726200 4020.5873 20189.2799 14431.8403 246.6378 -203433.3086 2428.9651 0.0000 0.0000 51869.5052 -110246.4930 298.0948 -162115.9982 -109882.1605 297.7256 -129.8742 -94.2507 761073.7094 -33.6299 -33.6259 PRESSURE: 2726400 -130.686 129.445 -35.1162 129.445 -163.119 -159.184 -35.1162 -159.183 -3.90363 GPRESSURE: 2726400 -48.3878 -28.3875 -38.1653 95.5135 -156.363 -120.552 -53.2706 -121.609 9.66402 PRESSAVG: 2726400 -0.117754 10.0402 -11.0601 10.0402 18.8907 -64.9112 -11.0601 -64.9111 3.16661 GPRESSAVG: 2726400 -0.199509 8.30098 -9.84736 9.52638 18.0752 -65.2098 -11.8726 -61.8199 4.24326 TIMING: 2726400 CPU: 8689.82, 0.00314643/step Wall: 8689.82, 0.00314643/step, 1.98714 hours remaining, 234.675781 MB of memory in use. ENERGY: 2726400 3980.0653 20352.6323 14430.1161 251.5659 -203359.9328 2351.3364 0.0000 0.0000 51748.8057 -110245.4110 297.4011 -161994.2167 -109874.6603 298.3339 -99.2362 -65.0288 760009.1360 7.3132 7.3730 PRESSURE: 2726600 57.2898 146.426 130.867 146.426 -175.124 121.885 130.867 121.885 -198.41 GPRESSURE: 2726600 58.3733 85.8002 62.4001 103.936 -99.7808 11.1202 89.3611 51.5138 -185.947 PRESSAVG: 2726600 -21.9161 -13.4131 1.35335 -13.413 15.6477 8.43396 1.35339 8.43396 8.8868 GPRESSAVG: 2726600 -22.3885 -12.2752 2.25937 -14.0796 15.8429 7.71146 0.0215809 6.51119 8.63595 TIMING: 2726600 CPU: 8690.45, 0.00314258/step Wall: 8690.45, 0.00314257/step, 1.98454 hours remaining, 234.675781 MB of memory in use. ENERGY: 2726600 3956.6731 20438.9706 14451.9785 247.5156 -203637.1455 2491.3093 0.0000 0.0000 51972.2949 -110078.4034 298.6855 -162050.6983 -109717.3602 298.6647 -105.4149 -75.7848 758132.3347 0.8728 0.6968 PRESSURE: 2726800 59.5627 51.8559 -138.997 51.8554 96.4986 17.0148 -138.997 17.0158 -183.289 GPRESSURE: 2726800 170.286 54.9704 -179.237 145.977 45.6348 78.8376 -65.7593 23.7507 -161.978 PRESSAVG: 2726800 -26.5704 -5.09901 -18.1468 -5.09901 -33.0813 4.99024 -18.1467 4.99031 3.66019 GPRESSAVG: 2726800 -25.6935 -7.14549 -18.8592 -3.79628 -32.4969 6.0446 -16.7154 3.47528 2.81526 TIMING: 2726800 CPU: 8691.07, 0.00313813/step Wall: 8691.07, 0.00313813/step, 1.98155 hours remaining, 234.675781 MB of memory in use. ENERGY: 2726800 3956.0873 20491.3201 14451.1837 275.2582 -204022.3937 2788.3544 0.0000 0.0000 52069.0647 -109991.1253 299.2416 -162060.1900 -109638.7120 298.2641 -9.0758 17.9811 758848.0931 -18.6638 -18.4584 PRESSURE: 2727000 322.567 137.782 219.752 137.781 120.874 59.0585 219.753 59.0601 -339.787 GPRESSURE: 2727000 261.266 210.881 236.424 134.424 174.167 58.4483 219.366 120.4 -242.067 PRESSAVG: 2727000 0.223793 25.5103 36.3899 25.5103 21.1483 -17.3873 36.3899 -17.3873 32.7633 GPRESSAVG: 2727000 -0.664243 28.6941 34.7829 25.4387 21.0909 -16.631 37.9957 -17.4924 33.7081 TIMING: 2727000 CPU: 8691.7, 0.00314285/step Wall: 8691.7, 0.00314285/step, 1.98436 hours remaining, 234.675781 MB of memory in use. ENERGY: 2727000 4029.2178 20461.7099 14465.4311 229.3009 -203842.8926 2782.6312 0.0000 0.0000 51873.6604 -110000.9413 298.1186 -161874.6017 -109658.6075 298.5747 34.5512 64.4553 759212.2934 18.0452 18.0449 PRESSURE: 2727200 -167.847 40.531 134.609 40.5305 -62.0422 -111.725 134.61 -111.725 -307.875 GPRESSURE: 2727200 -125.005 -11.6207 126.996 -52.5257 -6.28557 -144.416 4.97777 -186.956 -328.226 PRESSAVG: 2727200 8.2541 -2.15274 54.5392 -2.15273 -32.4779 -3.22268 54.5392 -3.22269 5.6749 GPRESSAVG: 2727200 9.19359 -5.45854 56.9017 -0.431065 -33.2393 -3.05199 51.8465 -1.42306 5.2731 TIMING: 2727200 CPU: 8692.33, 0.00315656/step Wall: 8692.33, 0.00315656/step, 1.99284 hours remaining, 234.675781 MB of memory in use. ENERGY: 2727200 4013.7077 20506.2965 14422.5875 255.9676 -203318.1415 2447.8843 0.0000 0.0000 51827.1401 -109844.5580 297.8513 -161671.6981 -109480.9750 298.2290 -179.2550 -153.1720 759353.5625 -6.1830 -6.2575 PRESSURE: 2727400 -187.895 93.8072 -140.43 93.8076 -54.3323 -307.002 -140.429 -307.002 -174.655 GPRESSURE: 2727400 -183.491 57.3326 -97.0854 41.3429 26.3753 -313.667 -182.111 -266.919 -172.078 PRESSAVG: 2727400 36.0441 -24.8383 -28.355 -24.8383 -11.7437 -44.0356 -28.355 -44.0357 -4.50987 GPRESSAVG: 2727400 36.7407 -22.7742 -29.4955 -27.0663 -10.4629 -43.2702 -27.4556 -44.7755 -5.96038 TIMING: 2727400 CPU: 8692.96, 0.00315436/step Wall: 8692.96, 0.00315436/step, 1.99128 hours remaining, 234.675781 MB of memory in use. ENERGY: 2727400 4022.6657 20427.4386 14484.4014 251.9251 -203202.8868 2400.2832 0.0000 0.0000 51793.6399 -109822.5329 297.6588 -161616.1727 -109464.3583 298.8051 -138.9609 -109.7312 759820.7874 6.5968 6.7725 PRESSURE: 2727600 204.474 -122.564 -140.334 -122.565 -201.552 -109.601 -140.334 -109.6 0.794657 GPRESSURE: 2727600 157.857 15.7356 -173.593 -132.047 -145.477 -30.2847 -46.1141 13.199 63.7716 PRESSAVG: 2727600 -29.923 -45.4186 36.9428 -45.4187 2.62219 -55.2093 36.9427 -55.2092 -10.3371 GPRESSAVG: 2727600 -31.1616 -44.6294 35.9214 -44.121 2.8762 -55.9306 35.5317 -54.7802 -9.17349 TIMING: 2727600 CPU: 8693.59, 0.00312415/step Wall: 8693.59, 0.00312415/step, 1.97203 hours remaining, 234.675781 MB of memory in use. ENERGY: 2727600 3938.2679 20405.9689 14406.3953 246.7871 -203475.1436 2491.6888 0.0000 0.0000 52125.5804 -109860.4552 299.5664 -161986.0356 -109493.6064 298.7621 1.2389 25.3839 760633.8234 -12.5460 -12.4863 PRESSURE: 2727800 52.8761 -189.264 -73.4579 -189.265 -222.305 51.3096 -73.4575 51.3102 171.634 GPRESSURE: 2727800 94.7094 -226.815 -4.32328 -181.689 -126.08 32.4604 -38.961 113.436 127.047 PRESSAVG: 2727800 35.7055 11.7241 28.9438 11.724 -39.1816 -36.0934 28.9438 -36.0935 -9.35688 GPRESSAVG: 2727800 35.4252 10.6929 30.4192 13.9806 -38.5757 -36.3035 30.4557 -36.937 -9.3196 TIMING: 2727800 CPU: 8694.22, 0.00314533/step Wall: 8694.22, 0.00314533/step, 1.98523 hours remaining, 234.675781 MB of memory in use. ENERGY: 2727800 4005.0374 20344.3951 14416.0846 243.6550 -203418.0352 2596.2253 0.0000 0.0000 51856.0693 -109956.5684 298.0175 -161812.6377 -109600.6686 298.5083 0.7351 31.8922 759602.3566 -4.2777 -4.1567 PRESSURE: 2728000 -207.035 -62.68 125.81 -62.6793 312.017 -49.266 125.811 -49.2666 353.155 GPRESSURE: 2728000 -42.0738 -24.6261 177.937 -102.794 347.404 -90.5017 252.328 111.409 297.647 PRESSAVG: 2728000 -7.40427 -46.8868 -5.8133 -46.8868 -41.7551 -0.671084 -5.81337 -0.671117 -9.23679 GPRESSAVG: 2728000 -7.23167 -46.857 -5.78408 -50.3735 -42.2225 0.434745 -5.21101 -2.12667 -8.80206 TIMING: 2728000 CPU: 8694.85, 0.00318047/step Wall: 8694.85, 0.00318047/step, 2.00723 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2728000 3945.6839 20272.0088 14441.1292 250.6116 -203723.6206 2750.8210 0.0000 0.0000 52125.0729 -109938.2933 299.5635 -162063.3662 -109576.9582 298.0998 152.7122 200.9926 758749.1244 -19.4654 -19.4187 PRESSURE: 2728200 -385.498 -70.9495 -1.48079 -70.9498 52.3797 -43.3724 -1.48084 -43.3718 -6.41284 GPRESSURE: 2728200 -250.466 -50.3602 -53.8492 -50.3995 51.5436 -61.4259 23.2897 -47.9903 -47.0856 PRESSAVG: 2728200 21.9106 -41.3293 22.9333 -41.3292 22.1592 18.0713 22.9333 18.0712 15.0832 GPRESSAVG: 2728200 22.513 -42.9976 23.2025 -40.5421 21.4732 17.4231 18.4647 17.7424 14.4915 TIMING: 2728200 CPU: 8695.49, 0.00316863/step Wall: 8695.49, 0.00316863/step, 1.99958 hours remaining, 234.675781 MB of memory in use. ENERGY: 2728200 4046.2465 20279.7597 14343.2959 241.1552 -203391.2664 2720.7645 0.0000 0.0000 51855.4733 -109904.5712 298.0141 -161760.0445 -109539.1174 298.9021 -113.1769 -82.0027 758519.9784 19.7176 19.4926 LDB: ============= START OF LOAD BALANCING ============== 8707.91 LDB: ============== END OF LOAD BALANCING =============== 8707.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8707.91 LDB: ============= START OF LOAD BALANCING ============== 8708.23 LDB: Largest compute 7033 load 0.032985 is 16.9% of average load 0.195403 LDB: Average compute 0.004394 is 2.2% of average load 0.195403 LDB: TIME 8708.23 LOAD: AVG 0.195403 MAX 0.218485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 8708.23 LOAD: AVG 0.195403 MAX 0.218485 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: TIME 8708.24 LOAD: AVG 0.195403 MAX 0.217461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: ============== END OF LOAD BALANCING =============== 8708.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8708.24 PRESSURE: 2728400 124.394 158.791 -52.8998 158.791 -248.311 152.15 -52.8994 152.15 309.904 GPRESSURE: 2728400 145.37 124.064 -78.8154 58.6431 -124.143 128.402 -12.3303 101.44 241.584 PRESSAVG: 2728400 -21.1248 36.9369 8.77789 36.9369 21.6342 28.1231 8.77793 28.123 -10.138 GPRESSAVG: 2728400 -22.7751 37.0881 8.09107 36.8808 22.864 27.6432 9.26453 29.5948 -10.1151 TIMING: 2728400 CPU: 8696.14, 0.00324208/step Wall: 8696.14, 0.00324208/step, 2.04575 hours remaining, 233.304688 MB of memory in use. ENERGY: 2728400 3885.5231 20457.0854 14424.0739 244.5001 -203219.4645 2361.5931 0.0000 0.0000 52013.0427 -109833.6463 298.9197 -161846.6890 -109469.5441 298.7119 61.9958 87.6039 758706.6733 -3.2095 -3.3421 PRESSURE: 2728600 -195.002 156.621 148.243 156.621 -560.225 216.157 148.242 216.156 -435.021 GPRESSURE: 2728600 -250.667 82.249 154.526 139.637 -407.917 183.173 115.137 159.409 -452.684 PRESSAVG: 2728600 30.0373 29.5319 -11.2943 29.5319 -60.9144 30.2026 -11.2942 30.2026 -3.22407 GPRESSAVG: 2728600 30.2513 30.6993 -9.86082 29.2532 -61.1876 30.7382 -9.9291 29.1985 -3.08067 TIMING: 2728600 CPU: 8696.77, 0.00318474/step Wall: 8696.77, 0.00318474/step, 2.00939 hours remaining, 233.765625 MB of memory in use. ENERGY: 2728600 4002.9472 20468.5905 14435.8747 244.5196 -203386.3809 2499.5182 0.0000 0.0000 52121.2202 -109613.7106 299.5414 -161734.9308 -109253.4024 299.0355 -396.7495 -370.4224 761669.1583 -11.3671 -11.3390 PRESSURE: 2728800 -221.875 -249.179 26.5556 -249.179 -446.316 -217.458 26.5554 -217.458 67.582 GPRESSURE: 2728800 -123.212 -259.099 149.861 -176.601 -385.123 -160.046 19.8113 -286.55 17.4194 PRESSAVG: 2728800 46.916 -6.67908 2.9998 -6.6791 -51.5764 -5.32087 2.99985 -5.32086 -1.4195 GPRESSAVG: 2728800 47.8084 -6.20915 1.57782 -6.52565 -52.2412 -5.52035 3.74662 -3.8488 -1.8834 TIMING: 2728800 CPU: 8697.41, 0.00318502/step Wall: 8697.41, 0.00318502/step, 2.00939 hours remaining, 233.765625 MB of memory in use. ENERGY: 2728800 4019.7386 20437.1122 14429.0698 255.3943 -203167.9114 2413.9408 0.0000 0.0000 51983.7204 -109628.9352 298.7512 -161612.6557 -109272.1687 298.8523 -200.2032 -163.6383 760690.6336 -2.0266 -2.1054 PRESSURE: 2729000 -7.0036 -27.1076 85.7143 -27.1071 -59.5139 -69.9148 85.7138 -69.9147 20.4409 GPRESSURE: 2729000 3.34455 40.1576 73.7678 27.6242 -20.9066 -105.725 -74.0737 -30.6163 59.4619 PRESSAVG: 2729000 33.8176 39.5333 19.7814 39.5333 -46.3006 11.2407 19.7813 11.2406 -9.08264 GPRESSAVG: 2729000 34.2516 39.5035 19.7913 41.124 -46.2536 11.8799 19.7714 8.77206 -9.35656 TIMING: 2729000 CPU: 8698.04, 0.00317082/step Wall: 8698.04, 0.00317082/step, 2.00026 hours remaining, 233.765625 MB of memory in use. ENERGY: 2729000 3934.8290 20361.4939 14422.5746 231.2934 -203175.8502 2390.6003 0.0000 0.0000 51921.8102 -109913.2487 298.3954 -161835.0589 -109546.7515 298.7792 -15.3589 13.9666 759113.9771 -7.1885 -7.1195 PRESSURE: 2729200 137.81 221.189 45.7652 221.19 317.492 -140.688 45.7655 -140.689 -126.775 GPRESSURE: 2729200 161.248 171.657 62.7257 140.43 332.622 -172.701 71.3613 -197.735 -95.7571 PRESSAVG: 2729200 8.27212 36.2355 15.9491 36.2355 -9.27107 5.61521 15.949 5.61516 -9.15994 GPRESSAVG: 2729200 8.17958 34.6887 17.2027 35.516 -9.86951 3.83776 15.9365 6.36053 -8.5596 TIMING: 2729200 CPU: 8698.67, 0.00315363/step Wall: 8698.67, 0.00315363/step, 1.98924 hours remaining, 233.765625 MB of memory in use. ENERGY: 2729200 3995.6520 20392.6195 14421.5357 266.4753 -203042.7175 2177.2404 0.0000 0.0000 51995.9069 -109793.2877 298.8212 -161789.1946 -109429.8516 298.9347 109.5091 132.7046 760611.2841 -3.3863 -3.4165 PRESSURE: 2729400 -66.1538 19.9036 -105.239 19.9039 -47.0048 -148.414 -105.24 -148.414 244.317 GPRESSURE: 2729400 34.3281 -72.4045 -135.306 -44.4039 0.736899 -41.9695 -89.1254 -38.3491 182.463 PRESSAVG: 2729400 -10.9107 24.6123 -14.2337 24.6123 13.1509 -2.44308 -14.2338 -2.44304 -5.06459 GPRESSAVG: 2729400 -10.9952 24.1426 -16.0958 21.8693 13.85 0.247664 -14.1268 -1.57875 -5.47824 TIMING: 2729400 CPU: 8699.31, 0.00315968/step Wall: 8699.31, 0.00315968/step, 1.99288 hours remaining, 233.765625 MB of memory in use. ENERGY: 2729400 3901.7827 20556.0809 14438.3366 228.3954 -203376.6544 2394.1297 0.0000 0.0000 52179.5703 -109678.3588 299.8767 -161857.9291 -109311.9947 299.0372 43.7194 72.5094 759816.1001 -0.9414 -0.8745 PRESSURE: 2729600 135.664 181.909 200.582 181.91 172.585 14.0406 200.582 14.0409 132.949 GPRESSURE: 2729600 140.103 85.3498 188.221 184.354 167.902 -18.5668 -21.4515 3.12683 217.741 PRESSAVG: 2729600 11.2593 -46.7989 23.1233 -46.799 -51.5655 2.28605 23.1234 2.28599 7.75267 GPRESSAVG: 2729600 11.1451 -46.1932 24.4948 -45.0779 -51.5531 1.21562 21.5075 1.5335 7.61737 TIMING: 2729600 CPU: 8699.94, 0.00318046/step Wall: 8699.94, 0.00318046/step, 2.00581 hours remaining, 233.765625 MB of memory in use. ENERGY: 2729600 4002.1157 20516.2571 14396.8375 267.6065 -203344.8013 2594.1809 0.0000 0.0000 51869.7897 -109698.0139 298.0964 -161567.8036 -109344.4636 298.9486 147.0659 175.2488 761272.4204 -10.8512 -10.9302 PRESSURE: 2729800 296.237 82.2466 -230.484 82.2472 278.797 -46.889 -230.484 -46.8881 -474.845 GPRESSURE: 2729800 300.191 -33.5389 -152.688 -6.5188 283.585 -87.1481 -120.458 -87.3321 -388.188 PRESSAVG: 2729800 -21.4815 4.07944 13.7473 4.07947 68.191 -1.02398 13.7474 -1.024 10.4432 GPRESSAVG: 2729800 -21.9665 5.89099 14.0324 3.90881 69.0028 -2.00329 13.0408 -1.14053 10.4345 TIMING: 2729800 CPU: 8700.57, 0.00314262/step Wall: 8700.57, 0.00314262/step, 1.98177 hours remaining, 233.835938 MB of memory in use. ENERGY: 2729800 3957.7647 20156.0164 14401.9146 244.2236 -203259.1044 2548.0557 0.0000 0.0000 52295.3116 -109655.8177 300.5419 -161951.1294 -109286.1341 298.8806 33.3964 65.1958 760679.7597 19.0509 19.1569 PRESSURE: 2730000 18.5742 -10.8634 -197.54 -10.8633 205.821 109.981 -197.54 109.981 463.422 GPRESSURE: 2730000 135.332 58.4283 -185.194 62.4652 198.798 56.836 -172.667 180.845 465.599 PRESSAVG: 2730000 7.75659 -31.8017 -23.4526 -31.8017 2.79635 -13.2534 -23.4528 -13.2534 -15.6406 GPRESSAVG: 2730000 7.801 -34.0768 -23.618 -31.4462 1.87356 -13.0348 -21.3241 -13.1481 -14.9488 TIMING: 2730000 CPU: 8701.2, 0.00315237/step Wall: 8701.2, 0.00315237/step, 1.98774 hours remaining, 233.835938 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: 2730000 3910.9094 20431.9233 14410.9788 260.0723 -203374.2052 2636.3447 0.0000 0.0000 51852.1505 -109871.8261 297.9950 -161723.9766 -109516.0554 298.4363 229.2725 266.5766 761364.4752 -1.6959 -1.7581 PRESSURE: 2730200 -143.233 134.699 112.725 134.7 151.481 139.87 112.726 139.87 -27.8646 GPRESSURE: 2730200 -116.667 67.8107 138.318 161.819 254.628 109.65 79.4429 114.412 -72.1127 PRESSAVG: 2730200 35.2842 14.1801 -15.9112 14.1801 5.54527 -51.6151 -15.9112 -51.6152 -31.1149 GPRESSAVG: 2730200 35.5246 14.6144 -14.4352 13.3203 5.20544 -50.6554 -16.1225 -51.1881 -30.9312 TIMING: 2730200 CPU: 8701.83, 0.0031487/step Wall: 8701.83, 0.0031487/step, 1.98526 hours remaining, 233.835938 MB of memory in use. ENERGY: 2730200 3962.1875 20488.6085 14471.1867 241.0579 -203303.1578 2612.2340 0.0000 0.0000 51990.0358 -109537.8473 298.7875 -161527.8831 -109175.4502 298.5727 -6.5391 21.9495 762191.3851 3.2382 3.2663 PRESSURE: 2730400 -91.8273 -30.2305 307.889 -30.231 -33.3101 -142.127 307.889 -142.127 -62.4531 GPRESSURE: 2730400 -140.542 -35.016 251.651 -114.426 75.4371 -188.024 156.593 -161.199 -55.1266 PRESSAVG: 2730400 -38.1613 -18.5489 -11.2777 -18.549 -1.42912 -13.8719 -11.2777 -13.8719 -4.50582 GPRESSAVG: 2730400 -37.9178 -18.3793 -13 -16.2533 -1.30217 -13.4453 -10.5697 -13.6181 -5.49738 TIMING: 2730400 CPU: 8702.46, 0.00314226/step Wall: 8702.46, 0.00314226/step, 1.98102 hours remaining, 233.835938 MB of memory in use. ENERGY: 2730400 4004.3298 20464.4967 14389.7941 235.9677 -202941.3045 2264.1797 0.0000 0.0000 52089.5643 -109492.9723 299.3594 -161582.5366 -109127.3056 299.0757 -62.5302 -40.0771 761892.9218 -14.6988 -14.9058 PRESSURE: 2730600 -221.197 -187.787 -7.03252 -187.786 -163.604 -180.138 -7.03201 -180.139 -191.201 GPRESSURE: 2730600 -85.1311 -325.387 -1.67371 -95.0679 -221.349 -194.18 -89.1986 -151.079 -180.585 PRESSAVG: 2730600 52.091 -18.3999 -8.93559 -18.3999 -17.6335 -19.6652 -8.93555 -19.6651 -10.2884 GPRESSAVG: 2730600 53.258 -19.8966 -8.4389 -16.8172 -18.4729 -19.5949 -8.11427 -19.8937 -10.247 TIMING: 2730600 CPU: 8703.1, 0.00317807/step Wall: 8703.1, 0.00317807/step, 2.00342 hours remaining, 233.835938 MB of memory in use. ENERGY: 2730600 4064.7303 20435.5760 14360.9291 252.3399 -203130.8876 2387.1594 0.0000 0.0000 52113.6112 -109516.5417 299.4976 -161630.1529 -109156.5900 299.4538 -192.0008 -162.3549 762107.9320 8.0564 8.1794 PRESSURE: 2730800 -31.3913 86.4968 78.0787 86.497 132.354 -9.69471 78.0784 -9.69432 -33.4551 GPRESSURE: 2730800 -38.2204 -39.6979 207.65 -52.0962 212.835 -88.4728 -31.5165 73.9519 -51.5795 PRESSAVG: 2730800 72.5601 49.6703 15.2628 49.6703 -76.3268 -1.00851 15.2628 -1.00859 11.6457 GPRESSAVG: 2730800 72.8603 49.0954 16.2354 47.604 -76.338 -1.39054 13.1482 -0.386791 10.9655 TIMING: 2730800 CPU: 8703.73, 0.0031646/step Wall: 8703.73, 0.0031646/step, 1.99475 hours remaining, 233.835938 MB of memory in use. ENERGY: 2730800 3997.5687 20521.8786 14373.3263 245.0925 -203048.0745 2387.4217 0.0000 0.0000 52083.4838 -109439.3030 299.3245 -161522.7868 -109077.2685 299.2543 22.5027 41.0119 760999.9707 2.6264 2.4960 PRESSURE: 2731000 53.1255 147.341 192.577 147.342 -44.5419 102.616 192.578 102.616 -10.9568 GPRESSURE: 2731000 33.7458 115.53 216.598 207.034 34.8241 174.222 136.895 47.7375 4.34199 PRESSAVG: 2731000 37.7292 9.94455 -0.481021 9.94451 -8.50916 -27.6361 -0.481056 -27.6361 -3.34866 GPRESSAVG: 2731000 35.1108 9.72658 -3.13851 8.96819 -7.61473 -26.9583 -0.109253 -27.5325 -1.5599 TIMING: 2731000 CPU: 8704.36, 0.00316897/step Wall: 8704.36, 0.00316897/step, 1.99733 hours remaining, 233.835938 MB of memory in use. ENERGY: 2731000 3995.6505 20513.4229 14550.0729 249.0352 -203273.5392 2484.7309 0.0000 0.0000 52087.0421 -109393.5847 299.3449 -161480.6268 -109026.5267 299.7525 -0.7911 24.3040 760707.0979 8.6238 8.6454 PRESSURE: 2731200 108.28 40.7395 -83.7772 40.739 -73.2108 -41.2496 -83.7778 -41.2502 -52.8649 GPRESSURE: 2731200 94.7664 87.5447 -110.772 46.2319 -39.8678 -15.1737 -17.5705 36.6881 18.4226 PRESSAVG: 2731200 15.6703 -49.9562 26.2688 -49.9562 -18.1668 -46.8866 26.2688 -46.8866 8.06164 GPRESSAVG: 2731200 17.3416 -49.5454 28.7016 -51.5021 -18.8629 -48.1667 25.8147 -46.6769 6.88 TIMING: 2731200 CPU: 8705, 0.00316983/step Wall: 8705, 0.00316983/step, 1.9977 hours remaining, 233.835938 MB of memory in use. ENERGY: 2731200 4061.7675 20522.7350 14391.1701 266.1890 -203180.3584 2595.5164 0.0000 0.0000 51866.7072 -109476.2730 298.0787 -161342.9803 -109114.7642 300.4117 -5.9319 24.4404 761538.1242 1.8551 1.7862 PRESSURE: 2731400 335.297 -200.088 334.067 -200.087 -93.7144 -194.542 334.068 -194.541 26.3243 GPRESSURE: 2731400 302.98 -148.638 452.614 -121.737 -9.12888 -188.626 433.558 -8.46016 72.3177 PRESSAVG: 2731400 55.0846 -36.0284 67.3467 -36.0285 -47.0826 -40.5369 67.3467 -40.5369 13.4276 GPRESSAVG: 2731400 52.9575 -35.8288 68.1266 -34.3953 -45.1102 -39.4268 67.0339 -42.9937 13.6214 TIMING: 2731400 CPU: 8705.62, 0.00313671/step Wall: 8705.62, 0.00313671/step, 1.97665 hours remaining, 233.835938 MB of memory in use. ENERGY: 2731400 4045.9713 20444.6985 14372.9033 232.8616 -203439.8297 2596.0662 0.0000 0.0000 52154.2870 -109593.0418 299.7314 -161747.3288 -109234.7534 299.1588 89.3022 122.0561 759882.6148 7.1432 7.1562 PRESSURE: 2731600 212.496 -170.35 41.4961 -170.349 -55.8067 82.4806 41.496 82.4813 -166.086 GPRESSURE: 2731600 88.2677 -191.757 92.588 -86.1178 69.9686 182.833 107.551 85.066 -90.409 PRESSAVG: 2731600 52.6443 -60.612 -0.699237 -60.612 -36.4397 -2.91373 -0.699222 -2.9138 -4.72281 GPRESSAVG: 2731600 53.6614 -58.8368 -2.80445 -60.0506 -36.8983 -3.93713 1.52854 -0.00579388 -5.17425 TIMING: 2731600 CPU: 8706.25, 0.00315086/step Wall: 8706.25, 0.00315086/step, 1.98539 hours remaining, 233.835938 MB of memory in use. ENERGY: 2731600 3960.3064 20644.0893 14383.3059 249.7928 -203556.5258 2540.4577 0.0000 0.0000 52175.7333 -109602.8406 299.8547 -161778.5738 -109240.1786 299.7176 -3.1324 22.6091 760125.0010 3.8273 3.8629 PRESSURE: 2731800 -87.2098 -18.4092 -107.109 -18.4087 71.4119 -86.774 -107.11 -86.7739 157.483 GPRESSURE: 2731800 24.5225 -22.2761 -126.949 -103.352 62.3016 -80.768 -55.213 -199.088 140.22 PRESSAVG: 2731800 41.1005 -20.3591 -19.0172 -20.3591 -8.27675 -73.999 -19.0172 -73.999 -12.3547 GPRESSAVG: 2731800 40.9152 -19.9094 -18.1288 -20.0298 -7.75316 -73.8618 -20.6977 -75.2517 -12.6503 TIMING: 2731800 CPU: 8706.89, 0.00317822/step Wall: 8706.89, 0.00317823/step, 2.00246 hours remaining, 233.824219 MB of memory in use. ENERGY: 2731800 4000.3093 20434.0798 14455.0346 240.5180 -203089.0656 2255.4804 0.0000 0.0000 52149.4348 -109554.2087 299.7035 -161703.6435 -109193.4631 299.4435 47.2284 75.6813 760205.2477 6.8230 6.8373 PRESSURE: 2732000 -198.283 -227.455 -20.8538 -227.455 -76.2256 58.7602 -20.8531 58.7599 217.662 GPRESSURE: 2732000 -158.092 -179.931 -70.4787 -168.618 -48.7201 88.8315 60.2716 74.4414 221.602 PRESSAVG: 2732000 44.9299 -69.2833 59.2292 -69.2833 -60.0218 -31.2913 59.2292 -31.2913 -1.57244 GPRESSAVG: 2732000 44.7931 -72.9513 58.5852 -69.4814 -60.571 -30.2804 59.7202 -31.9178 -1.24963 TIMING: 2732000 CPU: 8707.51, 0.00312745/step Wall: 8707.51, 0.00312745/step, 1.9703 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 4002.8560 20376.3501 14484.5482 240.5858 -203284.6330 2251.0690 0.0000 0.0000 52003.8372 -109925.3869 298.8668 -161929.2240 -109563.8262 299.0956 -18.9490 4.9300 757377.4302 -5.5548 -5.6759 PRESSURE: 2732200 139.06 -70.1484 153.149 -70.1486 268.867 -62.2604 153.148 -62.259 200.17 GPRESSURE: 2732200 178.684 -33.5683 113.407 -122.351 340.11 -24.8746 -46.5513 50.528 168.764 PRESSAVG: 2732200 9.34481 -55.691 14.3438 -55.6911 -10.8022 15.965 14.3438 15.965 -12.4056 GPRESSAVG: 2732200 9.69019 -53.5208 14.8457 -55.1177 -10.846 14.7404 14.5652 17.8926 -12.4147 TIMING: 2732200 CPU: 8708.15, 0.00317219/step Wall: 8708.15, 0.00317219/step, 1.9983 hours remaining, 233.824219 MB of memory in use. ENERGY: 2732200 3948.9952 20477.6895 14476.9718 244.6151 -204015.4732 2626.6912 0.0000 0.0000 52254.1491 -109986.3613 300.3053 -162240.5103 -109639.1700 298.9531 202.6993 229.1861 757562.1609 -4.6210 -4.5235 LDB: ============= START OF LOAD BALANCING ============== 8720.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8720.57 LDB: =============== DONE WITH MIGRATION ================ 8720.58 LDB: ============= START OF LOAD BALANCING ============== 8720.89 LDB: Largest compute 7034 load 0.033857 is 17.3% of average load 0.195429 LDB: Average compute 0.004415 is 2.3% of average load 0.195429 LDB: TIME 8720.9 LOAD: AVG 0.195429 MAX 0.217884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.324 MB LDB: TIME 8720.9 LOAD: AVG 0.195429 MAX 0.217884 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.344 MB LDB: TIME 8720.9 LOAD: AVG 0.195429 MAX 0.217884 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.344 MB LDB: ============== END OF LOAD BALANCING =============== 8720.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8720.9 PRESSURE: 2732400 195.323 -61.9112 -71.2371 -61.911 -71.3507 -283.56 -71.2372 -283.56 -26.3964 GPRESSURE: 2732400 252.711 -146.841 -20.3215 -98.6127 -91.6564 -179.591 19.0077 -48.3796 33.7499 PRESSAVG: 2732400 54.6224 5.00122 -1.72308 5.00121 -40.9328 -20.3327 -1.72305 -20.3326 -9.19439 GPRESSAVG: 2732400 54.4725 5.92593 -1.28514 2.0388 -41.3273 -18.9896 -2.63399 -21.8004 -8.65019 TIMING: 2732400 CPU: 8708.8, 0.00324427/step Wall: 8708.8, 0.00324427/step, 2.04353 hours remaining, 232.281250 MB of memory in use. ENERGY: 2732400 4070.9764 20475.8735 14423.6678 246.9703 -203547.7697 2373.2774 0.0000 0.0000 51924.7049 -110032.2994 298.4120 -161957.0043 -109679.4248 298.8329 32.5253 64.9347 759221.7264 1.4984 1.4983 PRESSURE: 2732600 -300.324 -126.86 120.184 -126.86 -343.635 -269.56 120.183 -269.561 185.145 GPRESSURE: 2732600 -250.787 -40.9491 127.742 -151.377 -292.273 -263.973 271.913 -259.972 174.156 PRESSAVG: 2732600 84.2716 -47.0196 46.907 -47.0196 -78.7684 -47.2046 46.9071 -47.2047 5.57624 GPRESSAVG: 2732600 84.2677 -47.965 45.6245 -43.7353 -78.7384 -49.5848 47.8105 -43.356 6.26281 TIMING: 2732600 CPU: 8709.43, 0.00314024/step Wall: 8709.43, 0.00314024/step, 1.97783 hours remaining, 232.539062 MB of memory in use. ENERGY: 2732600 3958.6787 20501.0798 14466.2835 233.2419 -203781.4790 2490.9685 0.0000 0.0000 51984.2587 -110146.9679 298.7542 -162131.2266 -109774.2049 299.0990 -152.9380 -122.9677 760052.0300 3.6931 3.9307 PRESSURE: 2732800 48.1645 289.179 164.159 289.179 -11.2831 80.0822 164.159 80.0819 55.4556 GPRESSURE: 2732800 97.9195 252.029 225.166 169.023 7.64832 79.669 184.698 -18.4506 82.9611 PRESSAVG: 2732800 23.266 -57.582 18.8741 -57.5819 -42.5609 6.45202 18.8741 6.45198 -11.5402 GPRESSAVG: 2732800 24.4124 -56.3382 19.8197 -59.912 -42.5678 6.39843 19.7298 3.69033 -12.8869 TIMING: 2732800 CPU: 8710.05, 0.00314308/step Wall: 8710.05, 0.00314308/step, 1.97944 hours remaining, 232.539062 MB of memory in use. ENERGY: 2732800 3928.7367 20392.2280 14411.7894 228.4259 -203575.9295 2520.9498 0.0000 0.0000 52070.5884 -110023.2112 299.2504 -162093.7996 -109657.3714 298.7858 30.7790 62.8430 759836.9880 -10.2784 -10.3474 PRESSURE: 2733000 402.626 26.8366 244.466 26.8364 132.972 110.285 244.466 110.285 287.808 GPRESSURE: 2733000 409.106 70.3245 217.699 44.7088 184.985 82.1835 198.213 102.624 325.668 PRESSAVG: 2733000 -19.2252 -42.2505 77.6902 -42.2505 10.9074 -68.6725 77.6903 -68.6724 -4.53972 GPRESSAVG: 2733000 -19.9403 -42.6161 76.2429 -41.2939 10.7882 -68.1712 77.754 -71.0124 -3.82765 TIMING: 2733000 CPU: 8710.68, 0.00312495/step Wall: 8710.68, 0.00312495/step, 1.96785 hours remaining, 232.539062 MB of memory in use. ENERGY: 2733000 4000.9116 20607.2103 14393.6090 238.4071 -203872.7449 2668.1653 0.0000 0.0000 52193.6084 -109770.8333 299.9574 -161964.4417 -109413.1650 298.9499 274.4686 306.5866 759212.2965 -4.2858 -4.3266 PRESSURE: 2733200 -64.1991 2.51512 40.5264 2.51496 135.221 -213.013 40.5255 -213.012 188.429 GPRESSURE: 2733200 -17.0916 14.0967 -62.3818 0.801187 123.802 -181.716 169.346 -84.515 233.257 PRESSAVG: 2733200 25.3058 9.37754 50.9224 9.37753 -21.1367 -16.9484 50.9224 -16.9485 22.4135 GPRESSAVG: 2733200 24.4725 11.6312 51.3785 4.85953 -20.3016 -15.6664 50.7909 -16.0493 22.1973 TIMING: 2733200 CPU: 8711.31, 0.00314474/step Wall: 8711.31, 0.00314474/step, 1.98014 hours remaining, 232.539062 MB of memory in use. ENERGY: 2733200 3968.1898 20639.0080 14384.2346 242.1339 -203383.3013 2568.6507 0.0000 0.0000 52027.4553 -109553.6290 299.0025 -161581.0843 -109192.8675 299.4662 86.4835 113.3226 758873.3672 8.8608 8.7894 PRESSURE: 2733400 350.724 -37.3128 23.5713 -37.3131 113.857 -98.9441 23.5707 -98.9439 29.3509 GPRESSURE: 2733400 315.017 -4.20485 67.7774 -79.8775 187.188 -148.391 60.5479 -136.797 67.1815 PRESSAVG: 2733400 -3.76401 -17.9479 91.6542 -17.948 44.5379 23.6234 91.6543 23.6233 3.92074 GPRESSAVG: 2733400 -3.66873 -19.8959 91.8809 -13.5036 43.5255 24.3559 89.9358 22.3903 4.0844 TIMING: 2733400 CPU: 8711.94, 0.00316418/step Wall: 8711.94, 0.00316418/step, 1.9922 hours remaining, 232.539062 MB of memory in use. ENERGY: 2733400 4021.6743 20594.1205 14459.6622 222.8210 -203459.9459 2340.9549 0.0000 0.0000 52348.0886 -109472.6244 300.8452 -161820.7130 -109112.8294 299.5664 164.6439 189.7956 759590.6461 14.8982 14.6471 PRESSURE: 2733600 -43.2685 -7.38665 -34.0458 -7.38633 -188.766 -87.3685 -34.0467 -87.3702 -349.186 GPRESSURE: 2733600 -9.21688 -81.0082 -101.692 44.5918 -173.23 -88.797 -15.613 -47.8104 -303.931 PRESSAVG: 2733600 65.6083 -28.5732 97.1513 -28.5732 -54.5268 18.8663 97.1513 18.8662 23.4827 GPRESSAVG: 2733600 64.9985 -27.7818 98.5602 -29.8791 -54.2647 17.3773 99.4069 19.587 23.6881 TIMING: 2733600 CPU: 8712.57, 0.00312816/step Wall: 8712.57, 0.00312816/step, 1.96935 hours remaining, 232.539062 MB of memory in use. ENERGY: 2733600 3957.1069 20646.9485 14412.4165 249.8644 -203107.1560 2484.3180 0.0000 0.0000 51881.3222 -109475.1794 298.1627 -161356.5016 -109112.7989 299.6558 -193.7404 -162.1261 761498.4929 11.5214 11.4740 PRESSURE: 2733800 249.435 72.4327 -55.6638 72.4319 69.0013 -245.701 -55.6642 -245.7 -24.6594 GPRESSURE: 2733800 221.965 -120.486 -36.2017 -52.2992 110.641 -156.373 -45.6782 -185.553 66.8695 PRESSAVG: 2733800 29.5722 -62.7103 17.4536 -62.7103 -38.7344 18.1547 17.4536 18.1546 -6.72972 GPRESSAVG: 2733800 29.7851 -62.2691 17.4268 -64.1944 -39.0783 19.2444 15.4849 18.7518 -6.79195 TIMING: 2733800 CPU: 8713.2, 0.00314817/step Wall: 8713.2, 0.00314817/step, 1.98177 hours remaining, 232.539062 MB of memory in use. ENERGY: 2733800 3994.7634 20485.2046 14470.6650 259.1419 -203872.8853 3032.9135 0.0000 0.0000 52094.4557 -109535.7411 299.3876 -161630.1969 -109174.4011 299.9495 97.9255 133.1583 761200.1363 -5.2973 -5.3617 PRESSURE: 2734000 -89.5882 87.0095 94.9277 87.0096 -136.701 -116.923 94.9274 -116.923 381.433 GPRESSURE: 2734000 15.7044 -63.7757 85.6965 136.263 -92.0746 -169.004 92.5754 -142.342 307.745 PRESSAVG: 2734000 86.5293 -52.155 17.4101 -52.155 -107.611 -22.8076 17.4101 -22.8076 11.1126 GPRESSAVG: 2734000 86.9715 -53.7987 18.732 -50.3778 -106.815 -23.6062 16.5076 -20.9621 10.267 TIMING: 2734000 CPU: 8713.83, 0.00315587/step Wall: 8713.83, 0.00315587/step, 1.98645 hours remaining, 232.539062 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: 2734000 3944.8197 20561.3450 14471.6206 244.4623 -202966.4193 2253.9373 0.0000 0.0000 51840.4023 -109649.8320 297.9275 -161490.2344 -109286.0611 299.1200 51.7145 77.1249 762263.7434 -3.3229 -3.1921 PRESSURE: 2734200 -225.872 -1.50039 -172.259 -1.50101 -36.7 -7.29419 -172.259 -7.29486 240.925 GPRESSURE: 2734200 -236.548 80.8563 -158.523 10.651 33.725 -12.1133 -220.088 -135.354 258.617 PRESSAVG: 2734200 34.0984 -62.9462 35.3596 -62.9461 -46.0024 -8.44389 35.3597 -8.44393 10.9967 GPRESSAVG: 2734200 34.2182 -63.4106 33.8311 -63.684 -46.5129 -7.30285 36.701 -10.2632 11.6743 TIMING: 2734200 CPU: 8714.46, 0.00314336/step Wall: 8714.46, 0.00314336/step, 1.9784 hours remaining, 232.539062 MB of memory in use. ENERGY: 2734200 3998.0190 20465.3691 14349.2795 245.9769 -203060.0930 2188.4238 0.0000 0.0000 52167.8275 -109645.1972 299.8092 -161813.0247 -109268.1820 299.3739 -7.2156 18.5979 761561.9793 -0.3024 -0.2068 PRESSURE: 2734400 -54.5755 -33.549 183.062 -33.5484 -96.2724 -127.887 183.061 -127.887 -337.921 GPRESSURE: 2734400 -17.1356 -36.4553 244.356 22.497 -115.864 -227.536 69.2283 -162.525 -279.835 PRESSAVG: 2734400 64.3705 -30.9085 16.3812 -30.9084 -106.791 31.7886 16.3812 31.7886 -6.76305 GPRESSAVG: 2734400 64.7194 -28.8965 16.4865 -29.3403 -106.921 31.4684 16.8554 32.1768 -6.90525 TIMING: 2734400 CPU: 8715.09, 0.0031744/step Wall: 8715.09, 0.0031744/step, 1.99776 hours remaining, 232.539062 MB of memory in use. ENERGY: 2734400 3967.3169 20434.0086 14423.1528 236.6566 -203285.1631 2255.1070 0.0000 0.0000 52194.4066 -109774.5144 299.9620 -161968.9210 -109393.3559 299.4630 -162.9228 -137.6116 760057.7571 -16.3946 -16.3688 PRESSURE: 2734600 -10.5742 -1.19463 218.3 -1.19465 -124.278 8.69271 218.301 8.69259 -160.914 GPRESSURE: 2734600 49.308 15.8672 122.848 86.0604 -133.056 44.191 246.366 -37.5037 -122.621 PRESSAVG: 2734600 73.8714 -19.3507 46.0407 -19.3507 -82.9475 5.58526 46.0407 5.58528 27.0458 GPRESSAVG: 2734600 73.7902 -20.3589 45.0105 -20.376 -81.8903 4.88976 44.6886 5.14488 26.9524 TIMING: 2734600 CPU: 8715.73, 0.00317458/step Wall: 8715.73, 0.00317458/step, 1.99769 hours remaining, 232.539062 MB of memory in use. ENERGY: 2734600 3936.0706 20386.5432 14493.0513 243.8864 -203364.4409 2500.0322 0.0000 0.0000 52159.1154 -109645.7419 299.7592 -161804.8573 -109278.3244 299.0926 -98.5888 -68.7896 761111.3630 5.9899 6.2841 PRESSURE: 2734800 -395.142 -163.403 -100.865 -163.403 24.6875 -2.65123 -100.865 -2.65129 -55.9363 GPRESSURE: 2734800 -367.229 -173.397 -124.881 -222.569 128.185 29.9166 -105.009 -2.52048 -96.9392 PRESSAVG: 2734800 -4.19582 -5.15672 -13.5085 -5.15673 4.1737 -47.1924 -13.5086 -47.1924 11.7921 GPRESSAVG: 2734800 -3.46821 -4.2189 -13.6482 -4.68678 3.77959 -46.3289 -13.3597 -44.9381 11.803 TIMING: 2734800 CPU: 8716.37, 0.00319659/step Wall: 8716.37, 0.00319659/step, 2.01137 hours remaining, 232.539062 MB of memory in use. ENERGY: 2734800 3999.3516 20518.4896 14424.2003 247.2474 -203611.4269 2797.8084 0.0000 0.0000 51996.3027 -109628.0269 298.8235 -161624.3296 -109270.7967 299.6589 -142.1304 -111.9945 761315.3988 3.9233 4.0381 PRESSURE: 2735000 -28.6619 -4.26334 -401.151 -4.2637 -220.868 39.2277 -401.15 39.2284 -203.811 GPRESSURE: 2735000 46.967 5.53604 -433.768 98.5262 -236.734 -15 -231.89 67.9516 -191.902 PRESSAVG: 2735000 2.18806 12.6193 -6.89675 12.6192 -53.1903 -31.3922 -6.89666 -31.3921 8.85404 GPRESSAVG: 2735000 2.92334 14.4756 -5.59903 12.0488 -54.0627 -32.0148 -6.86057 -31.8155 8.45337 TIMING: 2735000 CPU: 8717, 0.00315065/step Wall: 8717, 0.00315065/step, 1.98229 hours remaining, 232.539062 MB of memory in use. ENERGY: 2735000 4026.0087 20505.7799 14481.6021 238.6086 -202841.7859 2070.0195 0.0000 0.0000 52019.0497 -109500.7175 298.9542 -161519.7672 -109133.9415 299.3975 -151.1136 -127.2228 760643.3713 -14.0494 -14.2287 PRESSURE: 2735200 -9.62194 -54.2643 -4.55427 -54.2647 -139.39 70.3365 -4.55454 70.3368 -3.03288 GPRESSURE: 2735200 -33.8986 -59.2052 -50.2512 -7.66428 -47.4059 65.6776 27.1593 -4.17793 22.387 PRESSAVG: 2735200 -7.97759 -17.3741 -0.733853 -17.3741 -23.2543 2.47691 -0.733803 2.47693 8.03206 GPRESSAVG: 2735200 -9.02335 -20.5776 -0.181458 -16.8293 -20.8851 2.94584 0.777711 1.29115 6.53146 TIMING: 2735200 CPU: 8717.63, 0.0031576/step Wall: 8717.63, 0.0031576/step, 1.98648 hours remaining, 232.550781 MB of memory in use. ENERGY: 2735200 3943.9241 20382.7258 14495.4739 252.2160 -203238.9766 2289.2200 0.0000 0.0000 51953.0463 -109922.3707 298.5749 -161875.4170 -109567.4763 299.2519 -50.6818 -19.6392 759427.5614 -7.7333 -7.7923 PRESSURE: 2735400 -131.057 143.473 -95.6712 143.472 -624.502 -108.185 -95.6713 -108.185 -410.875 GPRESSURE: 2735400 -114.765 97.6977 -161.995 19.5484 -490.134 -86.9939 -117.096 -116.285 -474.033 PRESSAVG: 2735400 75.384 -53.6101 -0.527056 -53.61 -66.1865 -1.04833 -0.52697 -1.04827 -5.70708 GPRESSAVG: 2735400 76.4286 -52.3516 -0.704394 -52.2559 -67.2375 -2.30062 -2.25857 0.492651 -5.79796 TIMING: 2735400 CPU: 8718.26, 0.00316179/step Wall: 8718.26, 0.00316179/step, 1.98894 hours remaining, 232.550781 MB of memory in use. ENERGY: 2735400 3985.2726 20538.5889 14451.0721 245.2645 -203199.0856 2009.3988 0.0000 0.0000 51989.1313 -109980.3574 298.7823 -161969.4886 -109627.6240 298.8465 -388.8116 -359.6440 759034.7718 1.1635 1.1310 PRESSURE: 2735600 122.312 90.2573 341.317 90.2567 -135.719 364.774 341.317 364.774 -428.063 GPRESSURE: 2735600 109.106 122.008 326.225 120.063 -77.0361 389.806 341.623 398.037 -401.586 PRESSAVG: 2735600 81.3415 -12.006 55.3381 -12.006 -118.413 20.0282 55.3381 20.0282 -5.00666 GPRESSAVG: 2735600 80.3707 -12.3397 54.6447 -15.0398 -118.221 20.6692 54.5262 18.6381 -4.20231 TIMING: 2735600 CPU: 8718.89, 0.00313621/step Wall: 8718.89, 0.00313621/step, 1.97268 hours remaining, 232.550781 MB of memory in use. ENERGY: 2735600 3938.7810 20502.0481 14373.8014 245.7928 -203269.7621 2435.5265 0.0000 0.0000 51906.4070 -109867.4053 298.3068 -161773.8123 -109513.0827 298.9448 -147.1565 -123.1717 760076.1045 -14.0259 -14.0176 PRESSURE: 2735800 -80.0741 15.9653 49.1805 15.9647 14.5407 -141.845 49.1798 -141.844 269.969 GPRESSURE: 2735800 17.627 0.894129 -20.9063 46.6313 -14.2862 -158.026 76.6963 -98.1359 292.559 PRESSAVG: 2735800 33.9186 10.8906 57.2191 10.8906 -31.0689 34.0135 57.219 34.0136 -9.19701 GPRESSAVG: 2735800 34.4863 10.0568 57.9781 13.5148 -32.7059 33.7938 57.0771 34.8696 -8.48462 TIMING: 2735800 CPU: 8719.52, 0.00314419/step Wall: 8719.52, 0.00314419/step, 1.97752 hours remaining, 232.550781 MB of memory in use. ENERGY: 2735800 4014.9325 20521.8205 14364.8839 242.8461 -203254.6404 2359.5423 0.0000 0.0000 51909.5495 -109841.0656 298.3249 -161750.6151 -109482.2957 298.5338 68.1452 98.6332 758992.2937 -2.1158 -2.2348 PRESSURE: 2736000 272.466 -19.0594 243.312 -19.0592 184.445 233.016 243.313 233.016 401.226 GPRESSURE: 2736000 307.816 -31.5869 314.54 -129.284 186.468 305.892 217.871 126.029 453.756 PRESSAVG: 2736000 54.736 15.9673 32.0934 15.9673 -11.4013 -46.3713 32.0934 -46.3713 12.2757 GPRESSAVG: 2736000 53.4126 16.1596 32.2783 14.6905 -9.97602 -45.3242 32.3165 -47.9267 12.4403 TIMING: 2736000 CPU: 8720.15, 0.00314846/step Wall: 8720.15, 0.00314846/step, 1.98003 hours remaining, 232.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2736000 4004.5609 20396.6666 14370.8285 241.7487 -203755.1955 2713.5629 0.0000 0.0000 52224.6178 -109803.2101 300.1356 -162027.8278 -109425.4964 299.1374 286.0459 316.0132 758018.7056 18.5368 18.6256 PRESSURE: 2736200 177.542 -285.722 130.09 -285.722 -172.395 -217.805 130.089 -217.804 164.326 GPRESSURE: 2736200 166.828 -265.047 111.93 -205.488 -65.2609 -161.679 19.9033 -263.588 149.507 PRESSAVG: 2736200 60.5193 0.675752 -23.0351 0.675751 -48.3498 -15.9937 -23.035 -15.9936 -23.0586 GPRESSAVG: 2736200 61.1366 1.28772 -22.12 2.5428 -49.4366 -16.5417 -23.1699 -14.1922 -22.5837 TIMING: 2736200 CPU: 8720.77, 0.00314666/step Wall: 8720.77, 0.00314666/step, 1.97872 hours remaining, 232.550781 MB of memory in use. ENERGY: 2736200 3984.9708 20336.0048 14485.4933 255.2595 -203212.7749 2291.7716 0.0000 0.0000 52038.2445 -109821.0304 299.0645 -161859.2749 -109456.2964 298.7950 56.4911 83.6911 758262.8232 -3.6297 -3.6279 LDB: ============= START OF LOAD BALANCING ============== 8733.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8733.19 LDB: =============== DONE WITH MIGRATION ================ 8733.2 LDB: ============= START OF LOAD BALANCING ============== 8733.51 LDB: Largest compute 7033 load 0.033827 is 17.3% of average load 0.195369 LDB: Average compute 0.004416 is 2.3% of average load 0.195369 LDB: TIME 8733.51 LOAD: AVG 0.195369 MAX 0.219283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 8733.51 LOAD: AVG 0.195369 MAX 0.219283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: TIME 8733.51 LOAD: AVG 0.195369 MAX 0.217478 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: ============== END OF LOAD BALANCING =============== 8733.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8733.52 PRESSURE: 2736400 333.421 -36.5083 146.383 -36.5084 168.446 106.925 146.382 106.926 42.922 GPRESSURE: 2736400 307.368 -115.485 148.313 -12.1371 260.958 71.7982 143.423 108.863 79.0647 PRESSAVG: 2736400 14.2629 1.4992 4.47462 1.49919 -2.19057 11.3827 4.47467 11.3827 42.9965 GPRESSAVG: 2736400 14.4893 1.09064 4.88321 0.451394 -1.20951 10.2054 3.66478 10.3774 42.4842 TIMING: 2736400 CPU: 8721.41, 0.00320015/step Wall: 8721.41, 0.00320015/step, 2.01218 hours remaining, 232.792969 MB of memory in use. ENERGY: 2736400 3986.8178 20426.7836 14406.5709 253.3550 -203609.7206 2447.3185 0.0000 0.0000 52207.8102 -109881.0647 300.0390 -162088.8748 -109523.4776 298.6459 181.5965 215.7970 757260.8646 18.3563 18.5880 PRESSURE: 2736600 -61.9248 15.2891 87.6845 15.2896 -446.939 -79.9018 87.6848 -79.9016 -407.549 GPRESSURE: 2736600 -76.981 57.0826 84.3221 -67.3362 -433.152 -107.306 141.405 -27.5345 -326.351 PRESSAVG: 2736600 22.6985 29.3868 39.0675 29.3868 -4.99322 12.9408 39.0675 12.9409 12.9597 GPRESSAVG: 2736600 22.3314 29.2698 37.9727 29.8862 -4.54649 12.3256 38.7222 14.1085 12.861 TIMING: 2736600 CPU: 8722.04, 0.0031351/step Wall: 8722.04, 0.0031351/step, 1.97111 hours remaining, 232.792969 MB of memory in use. ENERGY: 2736600 3945.5829 20474.2671 14455.6813 250.2100 -203127.0591 2146.2796 0.0000 0.0000 51892.5173 -109962.5208 298.2270 -161855.0381 -109606.5292 298.4325 -305.4709 -278.8283 761732.8780 10.2217 10.2153 PRESSURE: 2736800 137.334 -6.34088 -109.261 -6.34085 21.8406 192.541 -109.26 192.543 197.477 GPRESSURE: 2736800 152.6 -69.1778 -81.7932 -148.986 111.381 119.804 -23.51 90.6046 188.899 PRESSAVG: 2736800 26.9464 -62.3681 18.7981 -62.3681 9.81283 44.0992 18.7981 44.0992 21.1499 GPRESSAVG: 2736800 27.3482 -62.3279 17.706 -61.2395 9.46452 45.1548 19.1386 42.8625 21.4744 TIMING: 2736800 CPU: 8722.67, 0.00315062/step Wall: 8722.67, 0.00315062/step, 1.98069 hours remaining, 232.792969 MB of memory in use. ENERGY: 2736800 3905.7004 20564.5602 14466.5532 236.8162 -203745.3948 2777.3418 0.0000 0.0000 51879.2792 -109915.1438 298.1509 -161794.4230 -109550.1669 298.4344 118.8840 150.9600 759192.6705 19.3030 19.4290 PRESSURE: 2737000 -117.706 13.323 56.1405 13.3229 -121.982 -301.667 56.1407 -301.668 -67.4233 GPRESSURE: 2737000 -102.73 10.4756 43.8763 69.1442 -38.2934 -276.798 66.6042 -198.408 -84.5 PRESSAVG: 2737000 -2.53203 -44.0789 34.2645 -44.0789 -2.58614 -13.523 34.2644 -13.523 -2.39256 GPRESSAVG: 2737000 -2.32119 -44.8508 32.9304 -46.223 -1.90424 -14.99 36.8515 -11.3363 -3.37755 TIMING: 2737000 CPU: 8723.3, 0.00313098/step Wall: 8723.3, 0.00313098/step, 1.96817 hours remaining, 232.792969 MB of memory in use. ENERGY: 2737000 4064.0328 20403.3138 14380.9580 238.9542 -203572.7714 2609.0791 0.0000 0.0000 52056.6498 -109819.7837 299.1703 -161876.4335 -109465.0007 298.4491 -102.3704 -75.1744 760511.8962 -2.5036 -2.5343 PRESSURE: 2737200 -81.5477 -65.4549 -322.576 -65.4552 51.0371 40.3588 -322.577 40.358 -5.52227 GPRESSURE: 2737200 -18.1082 4.19491 -299.69 -21.7003 49.9518 64.0885 -348.19 -3.45434 12.7273 PRESSAVG: 2737200 -51.0787 33.7606 -19.0708 33.7606 7.09079 23.8983 -19.0708 23.8984 7.37066 GPRESSAVG: 2737200 -50.563 35.2995 -17.3256 35.3283 6.66305 24.9752 -18.556 22.2758 7.22816 TIMING: 2737200 CPU: 8723.93, 0.00315079/step Wall: 8723.93, 0.00315079/step, 1.98045 hours remaining, 232.792969 MB of memory in use. ENERGY: 2737200 3968.5188 20235.7993 14508.9234 246.6127 -203944.7896 2694.4437 0.0000 0.0000 52424.3582 -109866.1334 301.2835 -162290.4916 -109497.7407 298.5341 -12.0109 14.8570 758899.8279 -12.2057 -12.2239 PRESSURE: 2737400 215.78 46.3333 -194.068 46.3342 -248.848 103.179 -194.068 103.178 2.69325 GPRESSURE: 2737400 221.233 30.2837 -165.226 23.7035 -167.417 94.7993 -338.715 49.7576 -1.26768 PRESSAVG: 2737400 22.5359 -57.2918 4.71632 -57.2918 -35.8649 21.173 4.71635 21.173 10.2606 GPRESSAVG: 2737400 22.7114 -58.5898 3.69755 -56.2122 -36.8784 21.3964 3.99223 19.4146 11.2679 TIMING: 2737400 CPU: 8724.56, 0.0031556/step Wall: 8724.56, 0.0031556/step, 1.98329 hours remaining, 232.792969 MB of memory in use. ENERGY: 2737400 3959.8900 20319.0774 14425.7255 262.4271 -203447.5729 2400.0746 0.0000 0.0000 52009.0265 -110071.3518 298.8966 -162080.3783 -109701.4773 298.5284 -10.1250 17.5162 760055.3976 -1.0228 -0.9663 PRESSURE: 2737600 -328.948 198.199 -28.7384 198.199 -292.274 -57.0952 -28.738 -57.0951 -383.237 GPRESSURE: 2737600 -332.469 14.5659 3.97415 175.343 -222.897 26.9874 -12.1616 30.3703 -359.205 PRESSAVG: 2737600 -30.075 7.90316 -19.3754 7.90318 -15.694 41.4169 -19.3754 41.4169 -1.94768 GPRESSAVG: 2737600 -30.8504 6.13158 -18.0127 6.69904 -14.8842 40.0534 -22.9501 44.4591 -2.11748 TIMING: 2737600 CPU: 8725.19, 0.00315146/step Wall: 8725.19, 0.00315146/step, 1.98052 hours remaining, 232.792969 MB of memory in use. ENERGY: 2737600 3987.4904 20417.6961 14495.5573 229.8796 -203290.8858 2114.7541 0.0000 0.0000 51958.7648 -110086.7434 298.6077 -162045.5082 -109721.0009 298.1234 -334.8197 -304.8572 759598.3909 -15.9055 -15.9507 PRESSURE: 2737800 310.648 136.048 -45.7437 136.048 174.435 194.767 -45.7429 194.767 488.834 GPRESSURE: 2737800 365.282 91.6488 26.2145 126.259 226.53 204.432 -36.1353 111.76 511.639 PRESSAVG: 2737800 25.2705 -2.08208 -22.4376 -2.08213 -14.9881 13.8028 -22.4376 13.8029 1.50076 GPRESSAVG: 2737800 26.1084 -0.472453 -22.3529 -3.39146 -14.5738 15.3243 -18.8012 13.3789 0.832973 TIMING: 2737800 CPU: 8725.82, 0.00313567/step Wall: 8725.82, 0.00313567/step, 1.97042 hours remaining, 232.792969 MB of memory in use. ENERGY: 2737800 3884.7994 20330.5963 14408.6342 233.3061 -203464.1669 2599.6811 0.0000 0.0000 51934.8448 -110072.3052 298.4703 -162007.1499 -109709.1261 298.1558 324.6392 367.8170 757199.3990 3.9277 4.1225 PRESSURE: 2738000 -59.3093 52.1086 -80.0392 52.1084 -450.967 -38.1899 -80.0394 -38.1891 -255.841 GPRESSURE: 2738000 -96.9809 -26.5864 -43.881 13.2394 -368.881 -45.1346 -123.367 -88.475 -220.458 PRESSAVG: 2738000 71.0312 -5.80539 22.6565 -5.80544 -2.89321 5.2158 22.6566 5.21581 1.69008 GPRESSAVG: 2738000 69.8694 -7.73397 22.6873 -3.72043 -3.60559 2.75474 22.7083 3.89895 3.67242 TIMING: 2738000 CPU: 8726.44, 0.00313724/step Wall: 8726.44, 0.00313724/step, 1.97123 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2738000 3999.9103 20330.1762 14430.0974 239.5574 -203138.2855 2154.8845 0.0000 0.0000 51873.1671 -110110.4926 298.1158 -161983.6597 -109750.1241 297.9116 -255.3726 -228.7732 758388.8263 23.2760 23.3121 PRESSURE: 2738200 221.34 -110.46 -78.2741 -110.46 -132.022 -241.01 -78.2746 -241.009 -382.297 GPRESSURE: 2738200 143.835 -118.201 -63.7904 48.3342 -29.4874 -285.773 -120.971 -68.6242 -338.171 PRESSAVG: 2738200 108.027 -31.855 14.1318 -31.855 -87.3334 -2.72763 14.1319 -2.72766 3.20916 GPRESSAVG: 2738200 108.303 -31.1758 14.8688 -32.0475 -86.9763 -3.22547 12.1482 -1.81879 1.83242 TIMING: 2738200 CPU: 8727.07, 0.00313719/step Wall: 8727.07, 0.00313719/step, 1.97102 hours remaining, 232.792969 MB of memory in use. ENERGY: 2738200 3989.3575 20475.8535 14406.7775 231.1797 -203161.0286 2371.0581 0.0000 0.0000 51639.2976 -110047.5047 296.7718 -161686.8024 -109693.0282 298.4959 -97.6596 -74.6076 760334.5102 7.9677 7.7198 PRESSURE: 2738400 -402.223 20.0447 -87.1928 20.0454 -151.599 -201.979 -87.1929 -201.979 -258.155 GPRESSURE: 2738400 -373.48 -61.9103 -16.9673 -10.0498 -158.518 -315.668 -13.314 -157.221 -224.124 PRESSAVG: 2738400 40.0485 -42.6171 43.1927 -42.6171 -33.0823 -20.5763 43.1927 -20.5763 -3.26835 GPRESSAVG: 2738400 40.4946 -41.6678 43.3914 -42.6547 -34.217 -16.7393 43.5035 -20.8817 -2.40509 TIMING: 2738400 CPU: 8727.7, 0.00315551/step Wall: 8727.7, 0.00315551/step, 1.98236 hours remaining, 232.792969 MB of memory in use. ENERGY: 2738400 3951.8082 20445.9932 14472.0337 245.3729 -203284.7942 2347.6758 0.0000 0.0000 51743.9618 -110077.9486 297.3733 -161821.9104 -109710.1313 298.7196 -270.6589 -252.0405 759166.5719 1.2326 1.2908 PRESSURE: 2738600 181.461 135.867 72.3679 135.867 -322.953 5.61945 72.368 5.61926 41.8138 GPRESSURE: 2738600 158.094 173.86 60.0155 208.21 -260.946 -11.232 148.626 -68.3113 81.5108 PRESSAVG: 2738600 49.9416 -57.0853 -27.0044 -57.0853 -43.1948 15.5596 -27.0043 15.5596 -6.39146 GPRESSAVG: 2738600 49.5422 -56.7103 -27.9562 -56.4147 -42.1278 13.7285 -24.3174 16.5332 -6.8949 TIMING: 2738600 CPU: 8728.33, 0.00313599/step Wall: 8728.33, 0.00313599/step, 1.96992 hours remaining, 232.792969 MB of memory in use. ENERGY: 2738600 3975.6463 20441.5401 14506.2569 265.5424 -203171.7318 2200.2445 0.0000 0.0000 51912.2981 -109870.2035 298.3407 -161782.5016 -109499.8091 298.2060 -33.2261 -7.1137 758814.4688 0.1185 0.1732 PRESSURE: 2738800 -223.644 -14.9312 -80.1708 -14.9316 -70.6548 165.043 -80.1711 165.043 32.1541 GPRESSURE: 2738800 -164.626 6.16498 -179.248 60.1949 12.4071 141.084 -11.0848 114.116 -11.4707 PRESSAVG: 2738800 36.2324 -38.3976 -29.0995 -38.3977 18.0995 -16.3225 -29.0994 -16.3225 10.9036 GPRESSAVG: 2738800 36.7001 -36.2543 -29.3121 -39.5863 18.8483 -17.1493 -29.613 -16.8136 10.7585 TIMING: 2738800 CPU: 8728.96, 0.00314695/step Wall: 8728.96, 0.00314695/step, 1.97663 hours remaining, 232.792969 MB of memory in use. ENERGY: 2738800 3994.8046 20535.4993 14468.9776 257.9244 -203345.3283 2275.1330 0.0000 0.0000 52053.4388 -109759.5506 299.1518 -161812.9894 -109409.7347 298.5239 -87.3815 -54.5632 758823.6559 21.7452 22.1023 PRESSURE: 2739000 -178.682 -88.4296 95.5783 -88.4298 -111.625 -80.7931 95.5784 -80.7926 -459.455 GPRESSURE: 2739000 -130.05 -37.2612 49.843 -121.854 -99.2342 -66.4617 141.969 61.3849 -438.328 PRESSAVG: 2739000 23.0312 18.8589 -36.6058 18.8589 -10.2422 2.89058 -36.6058 2.89058 19.4127 GPRESSAVG: 2739000 22.9038 17.2306 -35.9092 20.0591 -10.1641 3.60133 -37.2783 2.84715 19.4302 TIMING: 2739000 CPU: 8729.59, 0.00315677/step Wall: 8729.59, 0.00315677/step, 1.98262 hours remaining, 232.792969 MB of memory in use. ENERGY: 2739000 4076.3769 20513.6234 14367.5083 272.9995 -203226.0763 2164.3092 0.0000 0.0000 52281.1756 -109550.0833 300.4606 -161831.2589 -109185.3196 299.4922 -249.9208 -222.5374 761478.9462 10.7339 10.7233 PRESSURE: 2739200 63.3587 189.271 -14.2185 189.272 296.913 263.022 -14.2181 263.023 600.703 GPRESSURE: 2739200 131.276 135.568 -4.13921 117.547 341.52 250.113 -179.661 125.469 558.739 PRESSAVG: 2739200 40.3165 -14.9736 10.5115 -14.9736 -28.6419 20.2572 10.5115 20.2572 -22.7214 GPRESSAVG: 2739200 40.3905 -14.9272 9.75153 -14.3424 -28.8964 21.1227 7.92601 17.9908 -22.6388 TIMING: 2739200 CPU: 8730.22, 0.0031483/step Wall: 8730.22, 0.0031483/step, 1.97714 hours remaining, 232.792969 MB of memory in use. ENERGY: 2739200 3935.8728 20306.3030 14411.1076 242.0358 -203645.1935 2834.2096 0.0000 0.0000 52281.6093 -109634.0554 300.4631 -161915.6647 -109266.9662 298.7894 320.3248 343.8447 759164.4864 -3.6823 -3.7149 PRESSURE: 2739400 340.802 42.9934 105.275 42.9947 -117.508 -130.539 105.275 -130.539 163.651 GPRESSURE: 2739400 458.466 69.5579 68.7473 31.6313 -83.264 -120.895 177.235 -62.2044 92.2498 PRESSAVG: 2739400 47.3676 -16.3154 -31.073 -16.3155 -20.4262 68.6373 -31.0731 68.6374 -8.34714 GPRESSAVG: 2739400 47.739 -15.2022 -30.6804 -16.4261 -20.1354 68.0386 -29.8444 68.8321 -8.38742 TIMING: 2739400 CPU: 8730.85, 0.00315333/step Wall: 8730.85, 0.00315333/step, 1.98012 hours remaining, 232.792969 MB of memory in use. ENERGY: 2739400 4014.3012 20550.5011 14416.8049 237.1981 -203550.3613 2647.4041 0.0000 0.0000 52246.1760 -109437.9759 300.2595 -161684.1519 -109076.0795 299.2626 128.9818 155.8173 759795.5965 6.1981 6.4054 PRESSURE: 2739600 89.4952 -28.8855 -169.124 -28.8851 90.8074 126.902 -169.124 126.902 -38.0497 GPRESSURE: 2739600 128.277 -129.752 -165.743 -91.6209 112.596 191.728 -91.304 89.6916 -26.5695 PRESSAVG: 2739600 10.4301 60.6333 22.9803 60.6332 -18.3137 -9.75086 22.9803 -9.75088 23.9243 GPRESSAVG: 2739600 9.08396 58.2641 22.577 62.6163 -17.5381 -8.74043 23.5969 -9.5002 24.0767 TIMING: 2739600 CPU: 8731.48, 0.00314788/step Wall: 8731.48, 0.00314788/step, 1.97652 hours remaining, 232.792969 MB of memory in use. ENERGY: 2739600 4017.0796 20451.7075 14447.9838 254.8395 -203192.3337 2235.4597 0.0000 0.0000 52180.9362 -109604.3273 299.8846 -161785.2635 -109229.9122 298.9376 47.4176 71.4347 759718.3055 5.3469 5.2075 PRESSURE: 2739800 117.341 193.379 33.6094 193.379 200.449 214.796 33.6094 214.795 -55.1133 GPRESSURE: 2739800 207.564 94.162 25.3137 222.501 188.009 202.676 78.105 257.656 -27.3062 PRESSAVG: 2739800 63.9228 10.0796 -7.20157 10.0796 -85.4426 16.6071 -7.20154 16.6071 15.1234 GPRESSAVG: 2739800 65.5517 11.3748 -7.6948 8.77293 -87.6071 17.0979 -7.6606 16.4113 15.1515 TIMING: 2739800 CPU: 8732.11, 0.00314479/step Wall: 8732.11, 0.00314479/step, 1.97441 hours remaining, 232.792969 MB of memory in use. ENERGY: 2739800 4005.0879 20361.0808 14403.7855 257.4166 -203587.6331 2620.3398 0.0000 0.0000 52288.2742 -109651.6483 300.5014 -161939.9226 -109289.7684 299.6043 87.5588 122.7553 758933.9857 -2.1321 -2.3013 PRESSURE: 2740000 -54.2198 9.42433 -325.26 9.42399 -328.839 33.7602 -325.26 33.7596 -58.1 GPRESSURE: 2740000 -65.2884 -5.77133 -349.661 -7.94902 -243.772 51.4028 -397.472 -8.07525 -14.8845 PRESSAVG: 2740000 22.2405 -33.6044 -8.67638 -33.6043 -34.8892 -40.4407 -8.67638 -40.4407 5.41137 GPRESSAVG: 2740000 21.4087 -32.7729 -7.62621 -34.5711 -33.415 -41.0553 -8.63585 -36.7692 4.93842 TIMING: 2740000 CPU: 8732.74, 0.00313596/step Wall: 8732.74, 0.00313596/step, 1.96869 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2740000 4012.1269 20429.5270 14428.3182 249.1239 -203307.3139 2532.0800 0.0000 0.0000 52111.4686 -109544.6694 299.4853 -161656.1380 -109177.7349 299.4950 -147.0531 -107.9817 760240.5763 -2.4124 -2.3560 PRESSURE: 2740200 255.049 51.4304 -260.83 51.4303 -271.305 4.973 -260.83 4.97297 -200.867 GPRESSURE: 2740200 221.211 15.2867 -239.785 73.1914 -159.063 11.2298 -124.083 -102.196 -191.786 PRESSAVG: 2740200 41.3537 5.02961 -16.9191 5.02957 -20.092 9.29544 -16.919 9.29544 8.6418 GPRESSAVG: 2740200 41.4358 3.52299 -19.3504 5.07307 -21.1817 8.66513 -13.9231 5.16941 9.34233 TIMING: 2740200 CPU: 8733.37, 0.00315659/step Wall: 8733.37, 0.00315659/step, 1.98146 hours remaining, 232.792969 MB of memory in use. ENERGY: 2740200 3962.7635 20413.2287 14444.6532 252.1114 -203615.1122 2586.9885 0.0000 0.0000 52303.5509 -109651.8160 300.5892 -161955.3669 -109274.6990 299.5584 -72.3742 -43.2128 759491.1465 9.9678 9.8655 LDB: ============= START OF LOAD BALANCING ============== 8745.79 LDB: ============== END OF LOAD BALANCING =============== 8745.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8745.79 LDB: ============= START OF LOAD BALANCING ============== 8746.11 LDB: Largest compute 7031 load 0.033213 is 17.0% of average load 0.195412 LDB: Average compute 0.004395 is 2.2% of average load 0.195412 LDB: TIME 8746.11 LOAD: AVG 0.195412 MAX 0.221947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.641 MB LDB: TIME 8746.11 LOAD: AVG 0.195412 MAX 0.221947 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.641 MB LDB: TIME 8746.11 LOAD: AVG 0.195412 MAX 0.216802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.641 MB LDB: ============== END OF LOAD BALANCING =============== 8746.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8746.12 PRESSURE: 2740400 -373.608 124.469 123.816 124.469 -145.351 -62.3755 123.815 -62.3773 16.8096 GPRESSURE: 2740400 -338.262 225.53 114.12 229.82 -66.0595 -44.4897 23.6952 27.2991 -17.9081 PRESSAVG: 2740400 12.3131 26.3542 26.3661 26.3542 -26.592 18.6626 26.366 18.6625 -27.6956 GPRESSAVG: 2740400 11.6245 28.9022 27.0435 26.3256 -24.3748 19.0526 24.2244 20.0599 -29.7935 TIMING: 2740400 CPU: 8734.01, 0.00321816/step Wall: 8734.01, 0.00321816/step, 2.01993 hours remaining, 234.003906 MB of memory in use. ENERGY: 2740400 3933.0324 20550.9291 14444.6406 251.7213 -203344.9798 2288.5210 0.0000 0.0000 52363.9160 -109512.2194 300.9361 -161876.1354 -109137.3626 299.7511 -167.3833 -140.7432 759710.7535 -13.9915 -14.1813 PRESSURE: 2740600 -162.213 -105 26.3411 -105 -141.937 -138.547 26.3416 -138.548 59.8069 GPRESSURE: 2740600 -123.115 -49.9804 161.623 -144.562 -95.4983 -24.5817 -38.5045 -232.559 66.8292 PRESSAVG: 2740600 -4.23662 28.8718 -6.59897 28.8718 7.83328 -32.6993 -6.59893 -32.6994 4.89762 GPRESSAVG: 2740600 -4.0706 27.1173 -3.59241 31.8735 5.9076 -32.8714 -7.75168 -33.504 6.59375 TIMING: 2740600 CPU: 8734.64, 0.00315577/step Wall: 8734.64, 0.00315577/step, 1.9806 hours remaining, 234.203125 MB of memory in use. ENERGY: 2740600 4016.1503 20527.5938 14484.8575 262.5772 -203454.8866 2481.9576 0.0000 0.0000 52350.6567 -109331.0934 300.8599 -161681.7501 -108965.1698 299.7086 -81.4479 -50.5947 761683.3876 2.8314 2.8103 PRESSURE: 2740800 307.142 -97.3546 -38.0664 -97.3545 84.2316 -247.317 -38.0661 -247.316 255.297 GPRESSURE: 2740800 234.621 -5.61414 -17.0013 -63.3817 202.852 -201.863 -93.6822 -223.924 286.254 PRESSAVG: 2740800 -23.1021 -45.4767 -10.5735 -45.4767 -10.9668 -31.5969 -10.5735 -31.5969 4.64534 GPRESSAVG: 2740800 -23.3798 -45.4106 -12.379 -47.5919 -9.92345 -32.8174 -10.1518 -28.1517 3.38497 TIMING: 2740800 CPU: 8735.28, 0.0031666/step Wall: 8735.28, 0.0031666/step, 1.98722 hours remaining, 234.460938 MB of memory in use. ENERGY: 2740800 4025.3727 20557.5252 14451.9829 247.1891 -203796.6033 2927.5062 0.0000 0.0000 52395.4166 -109191.6107 301.1172 -161587.0273 -108817.9964 300.4830 215.5569 241.2424 760197.8845 -9.8078 -9.9728 PRESSURE: 2741000 -231.933 -199.758 10.1046 -199.757 -48.9383 5.25467 10.1047 5.25453 -231.91 GPRESSURE: 2741000 -200.127 -206.751 43.6025 -217.754 35.7818 -35.4975 -94.8739 6.03835 -268.676 PRESSAVG: 2741000 -39.7395 -1.40893 -34.6055 -1.40897 53.979 30.7048 -34.6056 30.7048 1.81537 GPRESSAVG: 2741000 -39.9425 0.913525 -35.5957 -2.18329 53.393 31.8273 -33.8679 28.1475 2.28996 TIMING: 2741000 CPU: 8735.91, 0.00315315/step Wall: 8735.91, 0.00315316/step, 1.97861 hours remaining, 234.460938 MB of memory in use. ENERGY: 2741000 3979.7308 20736.1470 14477.1309 244.5549 -203045.9360 2130.2048 0.0000 0.0000 52207.2926 -109270.8751 300.0360 -161478.1677 -108905.4104 300.4973 -170.9273 -144.3402 760398.3629 5.3517 5.2468 PRESSURE: 2741200 -147.536 -35.1143 -82.8036 -35.1147 -11.177 116.785 -82.8038 116.784 338.793 GPRESSURE: 2741200 -62.2324 -2.21808 -104.17 -59.8375 2.63011 105.815 10.3085 203.75 324.268 PRESSAVG: 2741200 23.5782 21.4083 -34.15 21.4083 -53.6522 33.5889 -34.1499 33.5888 4.58197 GPRESSAVG: 2741200 24.1727 20.0129 -33.1891 21.2506 -53.7369 33.1375 -35.4057 34.4914 2.95742 TIMING: 2741200 CPU: 8736.53, 0.00314001/step Wall: 8736.53, 0.00314001/step, 1.97018 hours remaining, 234.460938 MB of memory in use. ENERGY: 2741200 3906.6347 20614.3943 14414.0367 236.4089 -203651.2079 2640.3909 0.0000 0.0000 52381.2573 -109458.0850 301.0358 -161839.3424 -109093.2293 299.8948 60.0267 88.2219 758884.3345 -8.4973 -8.8689 PRESSURE: 2741400 -95.3885 -288.08 -118.78 -288.08 -214.034 27.9673 -118.781 27.9682 -354.464 GPRESSURE: 2741400 -12.8316 -238.504 -101.947 -218.487 -231.811 77.8336 1.61533 -20.2352 -344.965 PRESSAVG: 2741400 1.42142 -32.9761 41.9844 -32.9761 7.73639 25.5676 41.9844 25.5677 -5.05271 GPRESSAVG: 2741400 1.61599 -31.7067 40.9049 -32.0338 7.17906 25.9764 43.181 25.6496 -4.64423 TIMING: 2741400 CPU: 8737.16, 0.0031415/step Wall: 8737.16, 0.0031415/step, 1.97094 hours remaining, 234.460938 MB of memory in use. ENERGY: 2741400 3996.5421 20623.9016 14365.7267 236.7532 -203135.8484 2273.2563 0.0000 0.0000 52356.2740 -109283.3945 300.8922 -161639.6685 -108913.4763 299.6496 -221.2954 -196.5360 761301.1773 1.3684 1.3836 PRESSURE: 2741600 19.5022 19.8457 153.393 19.8457 89.4328 -77.6319 153.393 -77.6317 -225.656 GPRESSURE: 2741600 79.312 -15.9924 160.291 -93.2217 90.0978 9.14145 173.367 -119.286 -211.934 PRESSAVG: 2741600 -3.91516 -50.5633 25.3945 -50.5634 -4.86195 -16.865 25.3944 -16.8649 1.19805 GPRESSAVG: 2741600 -4.1708 -52.0927 26.534 -50.8603 -5.92663 -17.0563 23.538 -18.3294 1.58263 TIMING: 2741600 CPU: 8737.79, 0.00313921/step Wall: 8737.79, 0.00313921/step, 1.96933 hours remaining, 234.460938 MB of memory in use. ENERGY: 2741600 3988.2438 20504.4657 14365.0525 258.7128 -203174.8763 2565.4645 0.0000 0.0000 52147.9813 -109344.9557 299.6952 -161492.9369 -108984.0887 299.7164 -38.9069 -14.1748 760318.3389 -2.5264 -2.8383 PRESSURE: 2741800 -14.5941 -103.649 103.054 -103.648 129.482 112.158 103.055 112.158 -251.224 GPRESSURE: 2741800 -24.211 -33.1217 88.2018 -3.96363 142.128 102.934 186.861 128.956 -176.998 PRESSAVG: 2741800 -1.69106 23.7695 47.239 23.7694 5.78029 -12.1463 47.239 -12.1463 0.550546 GPRESSAVG: 2741800 -2.23294 22.9676 45.2325 24.3152 4.71781 -11.2858 48.7269 -11.377 1.99226 TIMING: 2741800 CPU: 8738.42, 0.0031329/step Wall: 8738.42, 0.0031329/step, 1.9652 hours remaining, 234.460938 MB of memory in use. ENERGY: 2741800 3976.8612 20552.3663 14449.7184 261.2819 -203768.2580 2769.6663 0.0000 0.0000 52343.4733 -109414.8905 300.8187 -161758.3639 -109054.3866 300.0341 -45.4453 -19.6937 760518.3187 1.5466 1.4924 PRESSURE: 2742000 161.603 116.749 -0.688873 116.749 185.242 46.2657 -0.689036 46.2653 202.843 GPRESSURE: 2742000 150.914 165.515 -48.4488 210.52 267.44 -81.7546 -66.7479 93.1777 239.162 PRESSAVG: 2742000 70.0977 7.92983 -5.30352 7.92982 -71.8435 -20.2384 -5.30349 -20.2384 19.8048 GPRESSAVG: 2742000 71.0263 8.90729 -3.23669 9.41021 -70.0786 -22.9729 -5.8133 -18.9727 17.3991 TIMING: 2742000 CPU: 8739.05, 0.00314844/step Wall: 8739.05, 0.00314844/step, 1.97477 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2742000 4005.4425 20521.8005 14493.4372 270.9232 -203419.1194 2605.6462 0.0000 0.0000 51927.1833 -109594.6864 298.4262 -161521.8697 -109234.4381 299.3402 183.2293 219.1720 761180.9196 6.0197 6.1156 PRESSURE: 2742200 -385.595 6.49205 -243.877 6.49152 -274.302 188.223 -243.877 188.222 181.657 GPRESSURE: 2742200 -324.762 154.356 -154.936 -51.8522 -171.218 184.737 -244.521 117.904 108.474 PRESSAVG: 2742200 -7.23356 24.0209 -0.306929 24.0209 -29.4983 13.1513 -0.306996 13.1514 10.6483 GPRESSAVG: 2742200 -7.22475 24.0378 0.509752 22.6065 -30.4104 13.832 -2.06433 11.952 11.1392 TIMING: 2742200 CPU: 8739.68, 0.00314944/step Wall: 8739.68, 0.00314944/step, 1.97522 hours remaining, 234.460938 MB of memory in use. ENERGY: 2742200 4054.5757 20555.4294 14569.3124 244.9868 -203003.0932 2254.0778 0.0000 0.0000 51927.5446 -109397.1666 298.4283 -161324.7112 -109031.3951 299.8354 -159.4134 -129.1687 762887.9238 -8.6945 -8.8320 PRESSURE: 2742400 -133.061 -73.8353 11.8944 -73.8359 151.205 55.8479 11.8942 55.8481 35.1727 GPRESSURE: 2742400 -45.2749 -39.2001 30.2548 -88.7958 148.603 7.33745 35.8964 18.9639 36.489 PRESSAVG: 2742400 -19.432 -13.0536 8.46769 -13.0537 14.8142 -18.2041 8.46767 -18.2041 -15.0912 GPRESSAVG: 2742400 -18.809 -12.093 5.99597 -12.7729 13.4699 -18.7578 10.6371 -16.6728 -14.7258 TIMING: 2742400 CPU: 8740.31, 0.00314856/step Wall: 8740.31, 0.00314856/step, 1.97449 hours remaining, 234.460938 MB of memory in use. ENERGY: 2742400 4016.8567 20684.8685 14489.2275 246.3029 -203611.6263 2562.6018 0.0000 0.0000 52157.5881 -109454.1809 299.7504 -161611.7689 -109097.5196 299.6288 17.7725 46.6057 759754.8602 -6.5696 -6.6883 PRESSURE: 2742600 -264.055 -130.526 182.832 -130.526 -240.452 -276.805 182.833 -276.807 -121.433 GPRESSURE: 2742600 -225.124 -113.59 266.647 -49.4934 -219.503 -228.298 180.7 -157.016 -96.3459 PRESSAVG: 2742600 -40.5313 11.6142 16.5688 11.6142 21.9619 20.4949 16.5688 20.495 2.49537 GPRESSAVG: 2742600 -40.4554 9.97265 17.1409 12.9007 22.6337 20.7168 15.6831 21.0993 1.60755 TIMING: 2742600 CPU: 8740.94, 0.00316029/step Wall: 8740.94, 0.00316029/step, 1.98168 hours remaining, 234.460938 MB of memory in use. ENERGY: 2742600 3988.0663 20580.9743 14479.5209 245.0498 -203281.8272 2265.7207 0.0000 0.0000 52073.8175 -109648.6777 299.2689 -161722.4953 -109278.7331 299.5404 -208.6467 -180.3245 760099.8660 -5.3580 -5.4047 PRESSURE: 2742800 -184.035 -52.6955 118.617 -52.6949 -16.1869 176.878 118.616 176.878 -191.226 GPRESSURE: 2742800 -131.298 -73.1011 98.8026 1.19825 34.6549 221.72 44.5095 105.194 -216.537 PRESSAVG: 2742800 35.7144 -15.6436 -17.9975 -15.6436 -9.69661 7.64507 -17.9975 7.64512 -23.622 GPRESSAVG: 2742800 34.1374 -13.9572 -18.9164 -17.0739 -8.68981 6.69704 -16.4631 6.36299 -22.9819 TIMING: 2742800 CPU: 8741.57, 0.00314955/step Wall: 8741.57, 0.00314955/step, 1.97477 hours remaining, 234.460938 MB of memory in use. ENERGY: 2742800 4018.7227 20551.9022 14477.9759 254.6493 -203125.1694 1980.2800 0.0000 0.0000 52011.0087 -109830.6307 298.9080 -161841.6394 -109465.7417 299.3103 -130.4827 -104.3934 759787.6468 0.7986 0.8219 PRESSURE: 2743000 -39.7632 -180.786 138.907 -180.786 201.875 -46.3908 138.907 -46.3909 7.51865 GPRESSURE: 2743000 -23.5832 -133.718 153.1 -64.8252 225.54 17.9067 191.187 -179.193 38.486 PRESSAVG: 2743000 -60.8766 -56.2294 26.9262 -56.2294 23.1843 -46.9104 26.9262 -46.9104 16.8334 GPRESSAVG: 2743000 -61.4839 -58.173 28.608 -54.9948 23.7341 -45.3372 25.7419 -46.1283 16.8267 TIMING: 2743000 CPU: 8742.2, 0.00314222/step Wall: 8742.2, 0.00314222/step, 1.97 hours remaining, 234.460938 MB of memory in use. ENERGY: 2743000 3926.7987 20541.4929 14471.8354 257.9036 -203594.6991 2602.7187 0.0000 0.0000 52141.0191 -109652.9306 299.6552 -161793.9497 -109285.9433 298.9379 56.5436 80.1475 759697.5082 -6.9530 -6.9744 PRESSURE: 2743200 -48.5225 -168.767 -471.202 -168.767 -364.741 -40.4342 -471.202 -40.4352 -382.508 GPRESSURE: 2743200 -27.2776 -105.123 -472.102 -201.372 -253.372 -57.667 -418.486 18.6666 -418.102 PRESSAVG: 2743200 -0.717536 -38.1936 -14.6807 -38.1937 22.6283 -13.1121 -14.6807 -13.112 -4.61824 GPRESSAVG: 2743200 -0.155021 -36.9971 -16.3165 -37.8832 23.242 -12.195 -14.313 -13.714 -6.14291 TIMING: 2743200 CPU: 8742.82, 0.00311373/step Wall: 8742.82, 0.00311373/step, 1.95196 hours remaining, 234.460938 MB of memory in use. ENERGY: 2743200 4007.0519 20604.9324 14373.8874 253.9913 -203421.6773 2587.8463 0.0000 0.0000 51932.1970 -109661.7710 298.4550 -161593.9680 -109308.6773 299.1913 -265.2571 -232.9172 760479.6652 5.7642 5.6480 PRESSURE: 2743400 50.4211 -61.8411 -287.387 -61.8411 -115.298 12.4492 -287.387 12.4494 -536.33 GPRESSURE: 2743400 151.102 -9.6863 -198.157 -77.6183 -106.956 -25.8395 -262.647 -49.2588 -545.244 PRESSAVG: 2743400 1.64501 -50.1449 -35.4084 -50.1449 -1.79856 26.9682 -35.4085 26.9683 9.76277 GPRESSAVG: 2743400 1.80548 -49.4521 -35.2622 -52.5718 -2.54699 25.8095 -37.667 25.0129 10.4393 TIMING: 2743400 CPU: 8743.44, 0.00311206/step Wall: 8743.44, 0.00311206/step, 1.95074 hours remaining, 234.460938 MB of memory in use. ENERGY: 2743400 4018.0116 20460.4051 14495.8961 251.8892 -203445.0145 2467.3584 0.0000 0.0000 51978.1364 -109773.3177 298.7191 -161751.4541 -109403.3465 299.2306 -200.4023 -167.0328 759825.0559 3.2031 3.2326 PRESSURE: 2743600 100.01 -91.6704 -160.873 -91.6703 -31.3416 -98.8905 -160.872 -98.8905 27.7161 GPRESSURE: 2743600 178.029 -33.4679 -142.956 -18.3207 21.5034 -135.4 -77.5987 24.3901 0.482124 PRESSAVG: 2743600 74.8563 -117.414 6.45422 -117.414 -79.8494 20.5825 6.45419 20.5825 -13.0023 GPRESSAVG: 2743600 74.9583 -118.997 7.49769 -116.135 -79.0682 22.3572 7.2693 20.5812 -13.1604 TIMING: 2743600 CPU: 8744.07, 0.0031314/step Wall: 8744.07, 0.0031314/step, 1.96269 hours remaining, 234.460938 MB of memory in use. ENERGY: 2743600 4031.5804 20503.3346 14490.7686 263.6430 -203561.6969 2545.3250 0.0000 0.0000 51860.3890 -109866.6563 298.0424 -161727.0453 -109497.4184 298.8507 32.1281 66.6716 760656.9671 -5.9985 -5.7568 PRESSURE: 2743800 24.1597 70.6768 -193.685 70.6757 -81.8401 195.447 -193.685 195.447 -219.345 GPRESSURE: 2743800 18.5576 58.6343 -226.591 42.9201 -22.4911 244.618 -47.7026 211.38 -183.967 PRESSAVG: 2743800 2.19538 -13.7213 8.88637 -13.7213 0.588667 18.331 8.88631 18.331 -21.7836 GPRESSAVG: 2743800 2.04214 -14.8901 8.17973 -13.7291 -1.08785 15.7631 10.8833 20.7338 -20.1793 TIMING: 2743800 CPU: 8744.7, 0.00314111/step Wall: 8744.7, 0.00314111/step, 1.9686 hours remaining, 234.460938 MB of memory in use. ENERGY: 2743800 4092.5045 20403.4616 14476.8643 234.0394 -203767.5932 2501.5683 0.0000 0.0000 51899.5701 -110159.5849 298.2675 -162059.1551 -109810.2440 298.0179 -92.3418 -62.6334 758852.6953 -6.3332 -6.4083 PRESSURE: 2744000 374.968 -59.294 -128.64 -59.2938 39.4546 36.2352 -128.641 36.235 508.765 GPRESSURE: 2744000 380.263 -49.1129 -195.149 -46.1573 104.209 34.9525 -133.354 27.5607 501.888 PRESSAVG: 2744000 76.131 -33.0012 -11.0501 -33.0012 -82.4043 8.13185 -11.0502 8.13178 3.69254 GPRESSAVG: 2744000 75.9725 -31.1294 -12.3191 -34.2756 -82.456 7.60374 -11.3522 6.41891 3.45017 TIMING: 2744000 CPU: 8745.33, 0.00314212/step Wall: 8745.33, 0.00314212/step, 1.96906 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2744000 3947.0973 20465.8991 14517.5609 242.7364 -203683.6392 2551.5800 0.0000 0.0000 52062.2169 -109896.5487 299.2023 -161958.7656 -109531.4772 298.5029 307.7291 328.7867 756886.6117 -0.8603 -1.0111 PRESSURE: 2744200 5.43864 154.276 56.536 154.276 -186.679 97.8236 56.5366 97.8235 15.6596 GPRESSURE: 2744200 117.402 64.12 72.7318 125.255 -152.117 80.8899 3.08052 108.137 -47.8646 PRESSAVG: 2744200 46.7457 -43.1081 -17.8219 -43.1081 -63.8714 -4.75008 -17.8219 -4.75004 25.0253 GPRESSAVG: 2744200 46.931 -43.3317 -16.6658 -43.1743 -62.784 -3.15171 -18.4945 -5.91586 23.562 TIMING: 2744200 CPU: 8745.95, 0.00312686/step Wall: 8745.95, 0.00312686/step, 1.95933 hours remaining, 234.460938 MB of memory in use. ENERGY: 2744200 3975.2921 20547.1180 14404.0133 237.8921 -203686.5142 2545.9625 0.0000 0.0000 52094.9811 -109881.2551 299.3906 -161976.2362 -109519.8136 298.9159 -55.1937 -27.5265 759865.7205 2.6332 2.5696 LDB: ============= START OF LOAD BALANCING ============== 8758.37 LDB: ============== END OF LOAD BALANCING =============== 8758.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8758.37 LDB: ============= START OF LOAD BALANCING ============== 8758.69 LDB: Largest compute 7031 load 0.032088 is 16.4% of average load 0.195425 LDB: Average compute 0.004421 is 2.3% of average load 0.195425 LDB: TIME 8758.69 LOAD: AVG 0.195425 MAX 0.221642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 8758.69 LOAD: AVG 0.195425 MAX 0.221642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: TIME 8758.69 LOAD: AVG 0.195425 MAX 0.217604 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: ============== END OF LOAD BALANCING =============== 8758.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8758.7 PRESSURE: 2744400 11.7616 -20.0559 -281.88 -20.0565 83.876 80.4228 -281.88 80.4226 -396.07 GPRESSURE: 2744400 50.9433 4.6504 -247.81 41.2606 67.1468 88.6996 -95.1701 38.8875 -348.088 PRESSAVG: 2744400 -4.66014 -17.7172 26.2561 -17.7172 -19.9681 4.81265 26.2561 4.81265 -22.8692 GPRESSAVG: 2744400 -5.44794 -17.2617 26.1663 -17.212 -21.6051 6.85713 26.8241 5.38138 -20.2344 TIMING: 2744400 CPU: 8746.59, 0.00320415/step Wall: 8746.59, 0.00320415/step, 2.00758 hours remaining, 234.906250 MB of memory in use. ENERGY: 2744400 4006.3259 20490.3188 14366.4799 248.9611 -203518.0852 2520.6746 0.0000 0.0000 52184.5299 -109700.7950 299.9052 -161885.3249 -109345.4287 299.2555 -100.1442 -76.6660 759864.8887 -15.8325 -15.7625 PRESSURE: 2744600 14.5192 -79.4412 -5.36104 -79.4408 -307.592 47.9107 -5.36102 47.9115 -515.993 GPRESSURE: 2744600 -6.70102 -159.685 64.8196 -85.796 -209.426 34.8783 61.6238 83.752 -494.23 PRESSAVG: 2744600 25.9545 1.12369 6.26198 1.12365 -63.6014 -21.2345 6.26204 -21.2344 16.4557 GPRESSAVG: 2744600 26.755 1.07316 5.67099 1.69911 -62.1663 -23.0655 5.69409 -20.5658 14.5467 TIMING: 2744600 CPU: 8747.22, 0.00312631/step Wall: 8747.22, 0.00312631/step, 1.95863 hours remaining, 235.031250 MB of memory in use. ENERGY: 2744600 3998.3796 20566.6974 14348.2665 260.1949 -203347.5374 2428.1079 0.0000 0.0000 52214.9821 -109530.9090 300.0802 -161745.8911 -109162.9971 299.6021 -269.6886 -236.7858 760752.3160 -7.0637 -6.9549 PRESSURE: 2744800 224.944 -97.0374 -257.098 -97.0392 -56.4832 -43.1493 -257.098 -43.1505 79.3055 GPRESSURE: 2744800 314.259 3.69746 -215.825 -94.575 -7.9145 -66.8693 -222.914 -184.813 34.1351 PRESSAVG: 2744800 49.3562 22.2063 26.1754 22.2063 -54.7749 -38.046 26.1754 -38.0461 11.9058 GPRESSAVG: 2744800 49.3706 21.9223 26.0044 23.2268 -54.4302 -38.2175 27.188 -36.7467 11.6689 TIMING: 2744800 CPU: 8747.85, 0.00314528/step Wall: 8747.85, 0.00314528/step, 1.97035 hours remaining, 235.238281 MB of memory in use. ENERGY: 2744800 3963.8330 20599.8113 14431.1422 253.2320 -203256.2323 2521.2324 0.0000 0.0000 51989.7348 -109497.2466 298.7857 -161486.9814 -109124.6790 299.8545 82.5889 113.4931 759717.0970 2.1624 2.2031 PRESSURE: 2745000 -149.519 17.3073 -3.02712 17.307 -192.919 29.8432 -3.02713 29.8429 10.0032 GPRESSURE: 2745000 -71.7577 57.3198 -11.463 0.305422 -176.769 140.671 -75.647 60.1619 27.3424 PRESSAVG: 2745000 -17.6608 -24.3594 7.93598 -24.3593 -16.3984 -74.9725 7.936 -74.9725 27.4167 GPRESSAVG: 2745000 -16.8299 -21.8783 8.72703 -26.0751 -17.396 -74.4507 6.68526 -76.7905 27.6443 TIMING: 2745000 CPU: 8748.47, 0.00313219/step Wall: 8748.47, 0.00313219/step, 1.96197 hours remaining, 235.238281 MB of memory in use. ENERGY: 2745000 4009.2645 20598.7993 14470.6995 226.2907 -203540.3797 2612.3813 0.0000 0.0000 52110.3783 -109512.5662 299.4791 -161622.9444 -109149.7250 299.4227 -110.8116 -73.7280 760022.1513 -2.2142 -2.1938 PRESSURE: 2745200 -248.327 -54.4158 88.7274 -54.416 -273.837 -236.11 88.7281 -236.109 -90.49 GPRESSURE: 2745200 -126.216 -10.0724 105.479 -88.8832 -263.413 -158.26 65.9834 -161.01 -135.858 PRESSAVG: 2745200 -8.32499 -6.28633 -57.3463 -6.28632 45.4574 -6.92971 -57.3462 -6.92968 -3.37693 GPRESSAVG: 2745200 -8.35726 -7.06632 -56.3244 -6.01055 45.4567 -6.93014 -57.4689 -5.03016 -3.20403 TIMING: 2745200 CPU: 8749.1, 0.0031181/step Wall: 8749.1, 0.0031181/step, 1.95297 hours remaining, 235.238281 MB of memory in use. ENERGY: 2745200 3996.7568 20594.2258 14425.3054 240.8916 -202963.0421 2186.0236 0.0000 0.0000 51984.4223 -109535.4165 298.7552 -161519.8388 -109171.7128 299.1793 -204.2180 -175.1625 760860.4872 11.2518 11.2985 PRESSURE: 2745400 -84.1834 69.3883 -195.638 69.389 -191.701 13.3894 -195.638 13.3883 243.28 GPRESSURE: 2745400 -43.191 -28.5524 -273.726 33.5061 -146.327 63.6133 -201.527 -26.1229 240.954 PRESSAVG: 2745400 -17.3124 -40.6011 -52.6936 -40.6012 -5.8647 -28.3059 -52.6936 -28.3059 1.61316 GPRESSAVG: 2745400 -17.5973 -43.585 -54.3899 -41.0768 -4.60605 -26.3685 -52.9187 -31.7802 1.25036 TIMING: 2745400 CPU: 8749.72, 0.00313564/step Wall: 8749.72, 0.00313564/step, 1.96378 hours remaining, 235.238281 MB of memory in use. ENERGY: 2745400 3974.3224 20504.0719 14443.8951 249.3568 -203482.4121 2545.6520 0.0000 0.0000 52129.8580 -109635.2558 299.5910 -161765.1138 -109269.9867 299.5943 -10.8682 17.1454 761396.2783 -7.1880 -6.9843 PRESSURE: 2745600 348.492 127.272 295.293 127.272 332.723 0.801581 295.293 0.80138 14.5071 GPRESSURE: 2745600 345.227 207.7 277.069 226.639 313.814 20.7734 320.171 26.1421 138.364 PRESSAVG: 2745600 49.7017 -10.5441 -24.4629 -10.544 -30.8797 9.23577 -24.4629 9.23577 3.75354 GPRESSAVG: 2745600 49.9178 -7.88975 -23.6061 -11.7563 -31.7107 6.79894 -24.5588 11.0146 4.50225 TIMING: 2745600 CPU: 8750.35, 0.00314683/step Wall: 8750.35, 0.00314683/step, 1.97061 hours remaining, 235.238281 MB of memory in use. ENERGY: 2745600 3924.3439 20667.3927 14438.8374 248.2215 -203418.9284 2478.8244 0.0000 0.0000 51827.7594 -109833.5492 297.8548 -161661.3086 -109474.5028 299.4763 231.9076 265.8017 759508.5998 7.5252 7.5698 PRESSURE: 2745800 -194.797 149.5 168.881 149.501 -114.627 -206.146 168.881 -206.147 289.86 GPRESSURE: 2745800 -93.0291 192.047 191.49 188.339 -76.4939 -122.048 140.46 -120.038 216.16 PRESSAVG: 2745800 -10.3607 5.47873 -23.0269 5.47872 -20.5236 -29.5667 -23.0268 -29.5668 -4.73715 GPRESSAVG: 2745800 -10.0153 4.63752 -21.5224 8.87292 -20.1821 -26.8057 -24.3212 -28.2757 -5.2229 TIMING: 2745800 CPU: 8750.98, 0.00314186/step Wall: 8750.98, 0.00314186/step, 1.96733 hours remaining, 235.238281 MB of memory in use. ENERGY: 2745800 3964.0016 20621.5665 14491.1115 268.4028 -203685.6979 2706.3261 0.0000 0.0000 52002.1802 -109632.1092 298.8572 -161634.2893 -109284.4427 298.8596 -6.5213 15.5458 760344.8683 -11.8738 -11.8068 PRESSURE: 2746000 -86.7316 -312.468 -23.9977 -312.469 76.2346 -45.9941 -23.9963 -45.995 -46.2997 GPRESSURE: 2746000 -58.7429 -318.522 27.1011 -326.661 40.943 -46.6375 -28.8256 67.4527 55.1265 PRESSAVG: 2746000 27.6967 23.4559 -2.0468 23.4559 -14.1527 71.2967 -2.04685 71.2968 -9.08601 GPRESSAVG: 2746000 27.3199 23.4472 -3.04571 23.8745 -14.6807 67.8797 -0.477243 71.7922 -8.23956 TIMING: 2746000 CPU: 8751.61, 0.00314539/step Wall: 8751.61, 0.00314539/step, 1.96936 hours remaining, 235.238281 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: 2746000 3943.6230 20460.2323 14393.2546 256.7026 -203523.6128 2538.9122 0.0000 0.0000 52106.1874 -109824.7007 299.4550 -161930.8880 -109451.6612 298.8977 -18.9322 12.4422 761259.6933 1.4860 1.4665 PRESSURE: 2746200 -185.368 -325.262 -53.7375 -325.262 -202.919 -102.88 -53.7383 -102.879 51.4767 GPRESSURE: 2746200 -216.663 -372.722 -70.9294 -280.766 -9.15096 -76.0384 -81.1051 -97.0666 -13.7676 PRESSAVG: 2746200 -35.3736 -30.1901 -28.0151 -30.1901 6.23703 18.9312 -28.0151 18.9313 2.58142 GPRESSAVG: 2746200 -35.0516 -30.307 -28.0154 -32.3436 7.24358 18.6415 -29.034 17.9775 1.07447 TIMING: 2746200 CPU: 8752.24, 0.00313927/step Wall: 8752.24, 0.00313927/step, 1.96536 hours remaining, 235.238281 MB of memory in use. ENERGY: 2746200 4071.0432 20285.3587 14438.1045 236.0781 -203501.7845 2727.0646 0.0000 0.0000 51941.6286 -109802.5068 298.5093 -161744.1354 -109437.7222 298.7643 -112.2702 -79.8604 762075.8357 -8.8517 -8.9112 PRESSURE: 2746400 -14.1669 -84.3328 136.272 -84.3334 -244.043 177.076 136.272 177.075 148.93 GPRESSURE: 2746400 47.6733 -148.429 221.995 -21.4036 -216.897 214.081 171.121 157.613 125.355 PRESSAVG: 2746400 34.3529 -27.222 21.2212 -27.222 -42.988 39.3001 21.2212 39.3002 -3.03056 GPRESSAVG: 2746400 33.9562 -26.1513 20.2483 -24.2225 -43.5492 41.7241 21.7153 37.6826 -2.37719 TIMING: 2746400 CPU: 8752.86, 0.00313337/step Wall: 8752.86, 0.00313337/step, 1.96149 hours remaining, 235.238281 MB of memory in use. ENERGY: 2746400 4018.1540 20589.2211 14439.8364 259.0998 -203303.5274 2473.1129 0.0000 0.0000 52063.1567 -109460.9465 299.2077 -161524.1032 -109107.7061 298.6469 -36.4268 -14.6229 762624.0854 -3.8886 -3.9901 PRESSURE: 2746600 49.1583 12.0893 376.645 12.0895 55.4794 147.997 376.645 147.998 -128.23 GPRESSURE: 2746600 94.0195 -8.95104 399.346 -85.0963 83.5225 224.819 289.974 114.791 -99.5302 PRESSAVG: 2746600 31.2003 18.3601 10.8599 18.3602 -51.9321 -14.4312 10.86 -14.4313 -8.90797 GPRESSAVG: 2746600 31.1733 19.5092 12.4062 15.7895 -51.1375 -14.402 8.40046 -12.5385 -9.53633 TIMING: 2746600 CPU: 8753.49, 0.00313163/step Wall: 8753.49, 0.00313163/step, 1.96023 hours remaining, 235.238281 MB of memory in use. ENERGY: 2746600 3957.1842 20517.8859 14447.6383 250.8547 -203402.4540 2883.8926 0.0000 0.0000 51891.2829 -109453.7154 298.2199 -161344.9982 -109093.6633 299.2479 -7.8642 26.0039 762040.4109 -9.8799 -9.8335 PRESSURE: 2746800 79.9569 42.5378 -145.9 42.5381 291.898 -274.877 -145.901 -274.876 345.177 GPRESSURE: 2746800 150.698 -0.273136 -109.696 68.6747 292.626 -206.519 -253.988 -217.891 343.62 PRESSAVG: 2746800 -5.10568 -10.0405 11.1096 -10.0406 4.39197 -40.8428 11.1096 -40.8427 17.9756 GPRESSAVG: 2746800 -5.60868 -12.6982 10.1615 -8.20657 4.56337 -40.6368 12.8845 -41.007 18.3429 TIMING: 2746800 CPU: 8754.12, 0.00314149/step Wall: 8754.12, 0.00314149/step, 1.96622 hours remaining, 235.238281 MB of memory in use. ENERGY: 2746800 4067.0522 20328.3016 14467.8029 261.3391 -203675.1906 2985.7586 0.0000 0.0000 52174.5978 -109390.3384 299.8481 -161564.9362 -109024.3575 299.7039 239.0107 262.3147 760857.5967 5.7540 5.7659 PRESSURE: 2747000 -18.1953 212.484 -44.9157 212.484 -69.9178 -29.8577 -44.9167 -29.8586 332.477 GPRESSURE: 2747000 5.79136 183.375 25.5729 56.5649 10.8967 -35.4062 23.5985 49.9202 299.018 PRESSAVG: 2747000 36.7948 -15.9728 -43.3738 -15.9728 -20.3855 -42.8962 -43.3738 -42.8961 -2.21548 GPRESSAVG: 2747000 37.0861 -15.9914 -42.3476 -16.9756 -21.0159 -45.061 -44.3103 -43.1267 -2.50637 TIMING: 2747000 CPU: 8754.74, 0.00312149/step Wall: 8754.74, 0.00312149/step, 1.95353 hours remaining, 235.238281 MB of memory in use. ENERGY: 2747000 3901.6308 20521.5640 14471.6674 266.3338 -203222.2157 2459.7817 0.0000 0.0000 52316.2765 -109284.9614 300.6624 -161601.2379 -108925.5136 299.7709 81.4547 105.2352 762465.2486 4.7313 4.5213 PRESSURE: 2747200 -73.5748 -291.518 -178.456 -291.518 -58.6159 -65.6123 -178.456 -65.6134 133.677 GPRESSURE: 2747200 9.60109 -247.263 -244.045 -197.286 -20.4872 -51.0246 -98.302 -100.278 101.862 PRESSAVG: 2747200 29.2257 6.12749 -6.82942 6.12749 -26.7162 -46.9343 -6.8294 -46.9343 14.814 GPRESSAVG: 2747200 28.8024 5.86887 -6.72845 7.34422 -26.434 -47.6236 -5.49623 -46.609 14.8555 TIMING: 2747200 CPU: 8755.37, 0.00314125/step Wall: 8755.37, 0.00314125/step, 1.96572 hours remaining, 235.238281 MB of memory in use. ENERGY: 2747200 4068.1120 20446.0021 14503.4060 239.1917 -203287.1858 2583.0411 0.0000 0.0000 52289.9831 -109157.4499 300.5113 -161447.4329 -108806.0905 300.3753 0.4954 30.3254 761621.2481 5.7745 5.7413 PRESSURE: 2747400 145.848 0.0779329 -113.786 0.0780596 477.444 -131.122 -113.786 -131.122 452.37 GPRESSURE: 2747400 163.198 36.6408 -144.094 0.267008 606.77 -149.149 -221.516 -59.277 398.138 PRESSAVG: 2747400 -3.86237 -11.973 17.7878 -11.973 19.3981 -1.615 17.7879 -1.61499 3.53991 GPRESSAVG: 2747400 -2.39847 -10.3758 15.1782 -14.497 18.5821 -0.755008 18.9034 -1.53053 3.0692 TIMING: 2747400 CPU: 8756, 0.00314366/step Wall: 8756, 0.00314366/step, 1.96706 hours remaining, 235.238281 MB of memory in use. ENERGY: 2747400 3966.3791 20478.3445 14500.3321 250.4625 -203487.9213 2898.6025 0.0000 0.0000 51986.0592 -109407.7413 298.7646 -161393.8005 -109041.1716 300.3563 358.5539 389.3684 761698.6069 6.3585 6.4176 PRESSURE: 2747600 186.954 -17.9819 18.072 -17.9813 149.452 -43.3314 18.0721 -43.3306 -201.135 GPRESSURE: 2747600 206.839 -44.1872 74.901 48.11 137.142 -67.7886 -103.867 2.595 -121.312 PRESSAVG: 2747600 -17.3382 4.39536 12.5042 4.39537 9.60201 -17.7728 12.5042 -17.7728 3.74394 GPRESSAVG: 2747600 -18.4328 5.34653 15.5198 5.87452 10.1751 -17.3138 11.4101 -17.0576 4.13756 TIMING: 2747600 CPU: 8756.63, 0.00312976/step Wall: 8756.63, 0.00312976/step, 1.95819 hours remaining, 235.238281 MB of memory in use. ENERGY: 2747600 3937.1530 20531.4393 14502.3040 264.5660 -203130.5641 2585.2649 0.0000 0.0000 52087.1190 -109222.7179 299.3454 -161309.8368 -108852.9730 299.8309 45.0902 74.2231 761939.0410 -1.3308 -1.3734 PRESSURE: 2747800 -16.8292 55.2544 -82.4735 55.2531 271.931 78.8764 -82.4737 78.8761 412.579 GPRESSURE: 2747800 100.543 142.394 -106.172 96.9943 225.477 47.3608 -133.745 7.08865 428.619 PRESSAVG: 2747800 51.2572 1.75261 -9.92296 1.75258 -53.7744 21.7636 -9.92302 21.7636 -5.05855 GPRESSAVG: 2747800 52.5638 -0.011789 -11.6846 1.41153 -54.6261 22.0467 -10.4788 21.9032 -5.0241 TIMING: 2747800 CPU: 8757.25, 0.00311601/step Wall: 8757.25, 0.00311601/step, 1.94941 hours remaining, 235.238281 MB of memory in use. ENERGY: 2747800 3997.8066 20512.3674 14428.7296 266.6748 -203169.7522 2443.6044 0.0000 0.0000 52251.2497 -109269.3196 300.2887 -161520.5692 -108906.7448 299.9707 222.5602 251.5464 760428.3910 -2.5253 -2.3621 PRESSURE: 2748000 96.1767 61.6266 -100.829 61.6264 41.4605 -1.88444 -100.829 -1.88447 532.714 GPRESSURE: 2748000 116.867 172.277 -108.651 -20.3406 107.373 96.9976 75.6065 -120.855 507.716 PRESSAVG: 2748000 51.3083 -0.865234 21.6319 -0.865247 -26.0462 24.3226 21.6319 24.3225 26.6785 GPRESSAVG: 2748000 51.0996 -0.0664228 23.0504 -1.53834 -25.5746 23.7892 22.1327 23.163 26.0781 TIMING: 2748000 CPU: 8757.87, 0.00311556/step Wall: 8757.87, 0.00311556/step, 1.94895 hours remaining, 235.238281 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: 2748000 3959.7905 20636.2140 14466.5064 251.9586 -203557.9815 2678.4657 0.0000 0.0000 52118.8193 -109446.2269 299.5276 -161565.0462 -109085.5054 300.2709 223.4503 243.9853 760231.9819 17.3135 17.2010 PRESSURE: 2748200 -258.892 87.1147 -6.67107 87.1141 -73.004 239.393 -6.6714 239.394 79.5033 GPRESSURE: 2748200 -239.337 134.853 -102.733 205.285 -9.88792 284.724 -3.86387 159.151 73.3288 PRESSAVG: 2748200 -27.2882 -24.2537 -27.9806 -24.2537 -12.7284 27.2609 -27.9806 27.2608 -12.1411 GPRESSAVG: 2748200 -27.1802 -24.1998 -27.9579 -24.803 -12.9335 27.3402 -28.0608 26.8099 -11.7631 TIMING: 2748200 CPU: 8758.5, 0.00313868/step Wall: 8758.5, 0.00313868/step, 1.96325 hours remaining, 235.238281 MB of memory in use. ENERGY: 2748200 3941.4140 20414.5247 14395.2621 238.6104 -203094.0516 2411.9901 0.0000 0.0000 52100.7662 -109591.4841 299.4238 -161692.2503 -109221.3536 299.3802 -84.1309 -58.6321 760791.0904 -17.3859 -17.2923 LDB: ============= START OF LOAD BALANCING ============== 8770.92 LDB: ============== END OF LOAD BALANCING =============== 8770.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8770.93 LDB: ============= START OF LOAD BALANCING ============== 8771.24 LDB: Largest compute 7069 load 0.031692 is 16.2% of average load 0.195476 LDB: Average compute 0.004385 is 2.2% of average load 0.195476 LDB: TIME 8771.24 LOAD: AVG 0.195476 MAX 0.219736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.281 MB LDB: TIME 8771.24 LOAD: AVG 0.195476 MAX 0.219736 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: TIME 8771.25 LOAD: AVG 0.195476 MAX 0.217388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.285 MB LDB: ============== END OF LOAD BALANCING =============== 8771.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8771.25 PRESSURE: 2748400 229.524 200.419 174.975 200.419 -158.4 -40.2648 174.975 -40.2642 228.504 GPRESSURE: 2748400 264.351 166.727 89.087 150.186 -146.546 -53.1157 194.774 -117.323 295.331 PRESSAVG: 2748400 20.9377 20.8605 29.2096 20.8605 -19.535 -32.4042 29.2096 -32.4041 10.1642 GPRESSAVG: 2748400 19.9508 20.1337 27.0246 22.4562 -18.807 -32.2824 28.9275 -30.8816 10.705 TIMING: 2748400 CPU: 8759.15, 0.003227/step Wall: 8759.15, 0.003227/step, 2.01831 hours remaining, 234.460938 MB of memory in use. ENERGY: 2748400 3949.6802 20568.4814 14507.1276 230.2996 -203661.5985 2713.8065 0.0000 0.0000 52208.5219 -109483.6813 300.0431 -161692.2033 -109127.8703 299.3542 99.8763 137.7118 759634.0213 3.8556 3.9496 PRESSURE: 2748600 148.151 -59.5039 -196.37 -59.504 134.177 32.4001 -196.37 32.4003 59.7867 GPRESSURE: 2748600 131.223 -114.004 -183.852 -78.3199 216.164 15.6617 -84.3892 -50.2148 66.0122 PRESSAVG: 2748600 39.4273 11.8645 20.8988 11.8645 -38.9447 -16.5455 20.8988 -16.5454 18.0235 GPRESSAVG: 2748600 40.2821 11.4901 23.3902 10.9824 -38.5557 -16.75 19.4171 -16.9247 16.9777 TIMING: 2748600 CPU: 8759.78, 0.00315537/step Wall: 8759.78, 0.00315538/step, 1.97334 hours remaining, 234.531250 MB of memory in use. ENERGY: 2748600 3992.2346 20513.1880 14444.2234 248.8644 -203016.2143 2526.1653 0.0000 0.0000 51875.8624 -109415.6762 298.1313 -161291.5385 -109045.7468 299.5647 114.0383 137.7999 761377.5578 6.1687 6.2347 PRESSURE: 2748800 -111.43 -30.7081 -38.8012 -30.7083 -399.304 2.13593 -38.8014 2.13639 192.644 GPRESSURE: 2748800 -68.8353 50.2645 -8.23856 54.4284 -311.56 -47.963 94.284 -14.4927 153.95 PRESSAVG: 2748800 59.9961 28.7813 11.6872 28.7813 -27.1236 15.0883 11.6873 15.0884 -11.1064 GPRESSAVG: 2748800 60.0924 29.2821 11.6332 29.1799 -28.6325 15.2738 13.331 13.4577 -10.069 TIMING: 2748800 CPU: 8760.4, 0.00312818/step Wall: 8760.4, 0.00312818/step, 1.95615 hours remaining, 234.531250 MB of memory in use. ENERGY: 2748800 3956.5874 20576.5864 14367.9610 253.7701 -203712.6621 2693.6860 0.0000 0.0000 52394.4117 -109469.6595 301.1114 -161864.0712 -109098.5782 300.1050 -106.0300 -75.4817 760952.5335 7.2554 7.1303 PRESSURE: 2749000 129.834 192.311 28.1891 192.311 75.0695 -69.3088 28.1897 -69.3087 -220.677 GPRESSURE: 2749000 52.5927 125.168 68.2216 128.719 194.023 64.7802 17.3567 9.00338 -179.401 PRESSAVG: 2749000 3.16036 -55.6615 -27.3198 -55.6615 1.65436 -24.9166 -27.3198 -24.9166 13.2893 GPRESSAVG: 2749000 1.7316 -57.8955 -27.3706 -55.4719 3.13538 -23.9616 -27.9116 -22.0721 13.057 TIMING: 2749000 CPU: 8761.03, 0.00314697/step Wall: 8761.03, 0.00314697/step, 1.96773 hours remaining, 234.531250 MB of memory in use. ENERGY: 2749000 3931.0171 20700.4649 14453.3559 240.6943 -203214.6050 2341.3224 0.0000 0.0000 52086.6598 -109461.0906 299.3427 -161547.7503 -109102.8111 299.5873 -5.2580 22.4050 759542.3004 6.0347 5.9747 PRESSURE: 2749200 -24.2041 -168.265 -197.812 -168.266 151.327 -82.2447 -197.812 -82.2445 -217.591 GPRESSURE: 2749200 -24.7669 -296.819 -131.694 -163.499 185.469 16.6711 -282.952 -280.428 -175.835 PRESSAVG: 2749200 -24.0612 -51.1524 -78.2449 -51.1524 15.968 -29.7358 -78.245 -29.7358 7.84204 GPRESSAVG: 2749200 -22.2587 -50.2981 -77.8525 -52.705 15.7562 -30.8828 -78.7059 -30.5978 6.44815 TIMING: 2749200 CPU: 8761.66, 0.00314223/step Wall: 8761.66, 0.00314223/step, 1.96459 hours remaining, 234.531250 MB of memory in use. ENERGY: 2749200 3958.1305 20696.5016 14442.4626 233.2825 -203010.7111 2347.4463 0.0000 0.0000 52064.8993 -109267.9883 299.2177 -161332.8876 -108899.8276 299.6366 -30.1559 -5.0441 759846.4072 -0.0837 -0.0181 PRESSURE: 2749400 127.629 -282.922 -422.077 -282.922 54.2905 101.583 -422.077 101.584 80.7716 GPRESSURE: 2749400 36.9537 -221.342 -487.936 -258.26 168.018 24.8763 -266.29 44.8751 160.321 PRESSAVG: 2749400 17.0176 19.0412 -34.3074 19.0411 -16.8467 -77.6612 -34.3074 -77.6611 -9.04711 GPRESSAVG: 2749400 16.6493 20.6111 -34.1901 20.5712 -18.1559 -78.7637 -32.7252 -78.7853 -7.09741 TIMING: 2749400 CPU: 8762.29, 0.0031535/step Wall: 8762.29, 0.0031535/step, 1.97146 hours remaining, 234.531250 MB of memory in use. ENERGY: 2749400 4063.8168 20648.6503 14476.0969 263.4028 -203335.4323 2507.2954 0.0000 0.0000 52112.0212 -109264.1490 299.4885 -161376.1701 -108906.6024 299.8782 87.5638 121.7642 758480.1567 -2.9587 -2.8680 PRESSURE: 2749600 -221.634 98.8695 -139.713 98.8692 -191.324 215.193 -139.714 215.193 -123.118 GPRESSURE: 2749600 -107.812 39.0045 -99.5174 56.6659 -184.012 216.334 -66.2103 205.893 -151.754 PRESSAVG: 2749600 28.1452 46.5822 -8.31979 46.5821 -47.6746 -5.65018 -8.31981 -5.65023 17.169 GPRESSAVG: 2749600 26.8182 46.3737 -8.04401 46.299 -45.5971 -2.96693 -8.56189 -5.25068 16.5081 TIMING: 2749600 CPU: 8762.91, 0.0031173/step Wall: 8762.91, 0.0031173/step, 1.94866 hours remaining, 234.531250 MB of memory in use. ENERGY: 2749600 3993.3839 20669.5591 14525.7650 247.0076 -203531.6242 2418.9805 0.0000 0.0000 52256.5128 -109420.4153 300.3189 -161676.9281 -109063.1963 300.1998 -178.6921 -147.8594 760455.2395 -0.7868 -0.7570 PRESSURE: 2749800 -120.628 28.6429 27.9889 28.6423 31.4097 -133.895 27.9898 -133.895 -125.861 GPRESSURE: 2749800 -134.305 6.39633 -57.922 87.963 105.53 -139.314 -24.2689 16.1632 -106.755 PRESSAVG: 2749800 -35.2195 -52.285 -20.9044 -52.285 15.6931 -3.92416 -20.9045 -3.92413 -15.581 GPRESSAVG: 2749800 -34.4245 -53.5189 -22.3424 -50.1354 14.3515 -3.90373 -22.8876 -3.24858 -14.8684 TIMING: 2749800 CPU: 8763.54, 0.00313133/step Wall: 8763.54, 0.00313133/step, 1.95725 hours remaining, 234.531250 MB of memory in use. ENERGY: 2749800 3950.5467 20583.1494 14490.5941 245.0207 -203396.6093 2472.1575 0.0000 0.0000 52146.8027 -109508.3382 299.6884 -161655.1409 -109140.3595 299.9219 -71.6933 -45.1764 760847.2881 -11.7025 -11.6471 PRESSURE: 2750000 132.634 31.6251 38.5925 31.6257 181.346 2.17781 38.5918 2.1789 -148.65 GPRESSURE: 2750000 176.084 -81.7896 96.9592 -16.4968 196.713 74.6792 82.4329 -53.6949 -116.689 PRESSAVG: 2750000 -31.7136 -43.8056 -23.9978 -43.8056 31.1619 -26.3849 -23.9978 -26.3849 3.41807 GPRESSAVG: 2750000 -30.8493 -44.6061 -22.7459 -46.3882 31.5843 -27.4847 -21.705 -25.4074 2.79436 TIMING: 2750000 CPU: 8764.17, 0.00314506/step Wall: 8764.17, 0.00314506/step, 1.96566 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2750000 3975.7513 20590.5672 14497.4517 239.2071 -203721.7871 2713.4452 0.0000 0.0000 52056.4386 -109648.9261 299.1691 -161705.3647 -109282.7830 299.3459 55.1101 85.3694 759273.7822 0.9554 1.1765 PRESSURE: 2750200 262.195 -48.2066 -280.174 -48.2078 305.405 39.496 -280.173 39.4952 206.729 GPRESSURE: 2750200 314.522 -68.704 -357.556 -44.2919 344.121 14.7452 -221.503 -20.2528 182.495 PRESSAVG: 2750200 20.2628 -8.83134 -77.9016 -8.83133 8.44691 -3.45059 -77.9017 -3.45054 11.396 GPRESSAVG: 2750200 20.539 -7.61474 -77.037 -8.63565 7.8364 -5.54691 -80.1193 -3.22957 11.4257 TIMING: 2750200 CPU: 8764.8, 0.00314432/step Wall: 8764.8, 0.00314432/step, 1.96503 hours remaining, 234.531250 MB of memory in use. ENERGY: 2750200 3981.3675 20571.6228 14451.4732 252.4414 -203547.3326 2650.0400 0.0000 0.0000 52073.1175 -109567.2702 299.2649 -161640.3877 -109209.4181 298.8922 258.1098 280.3795 759503.6001 13.3686 13.2670 PRESSURE: 2750400 349.381 -93.6696 -139.753 -93.6701 154.061 -4.03535 -139.753 -4.03524 326.373 GPRESSURE: 2750400 392.547 -108.475 -97.4728 -46.5703 202.772 -48.4811 -203.494 -27.8558 325.124 PRESSAVG: 2750400 63.703 -45.4118 -47.2077 -45.4118 -19.0438 -49.0678 -47.2077 -49.0678 29.3266 GPRESSAVG: 2750400 63.1211 -46.1521 -48.6116 -43.6849 -18.3127 -46.4694 -46.2397 -51.5469 29.3214 TIMING: 2750400 CPU: 8765.43, 0.00315927/step Wall: 8765.43, 0.00315927/step, 1.9742 hours remaining, 234.531250 MB of memory in use. ENERGY: 2750400 4015.7065 20539.4920 14527.2527 265.9156 -204290.7627 3221.3911 0.0000 0.0000 52104.1450 -109616.8599 299.4432 -161721.0048 -109253.2711 298.5665 276.6050 306.8143 759866.9473 24.6619 24.7099 PRESSURE: 2750600 480.42 -25.8058 -263.927 -25.8051 106.387 -5.56072 -263.927 -5.56147 272.397 GPRESSURE: 2750600 465.579 26.2273 -236.207 30.7394 217.532 59.4158 -215.732 69.006 267.997 PRESSAVG: 2750600 22.5388 25.0884 -52.9295 25.0885 -35.8837 -39.6359 -52.9295 -39.6359 -17.1726 GPRESSAVG: 2750600 23.0605 25.3075 -52.4231 24.4966 -35.6621 -38.464 -56.3028 -39.2025 -17.7743 TIMING: 2750600 CPU: 8766.06, 0.0031553/step Wall: 8766.06, 0.0031553/step, 1.97154 hours remaining, 234.531250 MB of memory in use. ENERGY: 2750600 3934.4712 20610.3858 14427.4757 233.8129 -204004.6204 2964.5299 0.0000 0.0000 52164.2127 -109669.7321 299.7884 -161833.9448 -109303.8622 298.8440 286.4015 317.0361 760417.1327 -10.1725 -10.1253 PRESSURE: 2750800 -20.3578 81.0453 6.089 81.0449 -174.638 151.859 6.08895 151.86 -485.266 GPRESSURE: 2750800 -2.09498 103.071 85.8492 12.9256 -113.316 123.329 -19.3218 79.8684 -479.912 PRESSAVG: 2750800 -0.474336 -25.6819 -4.71883 -25.6819 41.8835 32.6253 -4.71886 32.6253 13.8162 GPRESSAVG: 2750800 -0.229197 -24.7283 -3.47813 -26.8685 42.3549 30.7678 -4.93414 32.7311 13.028 TIMING: 2750800 CPU: 8766.69, 0.00314695/step Wall: 8766.69, 0.00314695/step, 1.96615 hours remaining, 234.531250 MB of memory in use. ENERGY: 2750800 3937.9459 20540.9032 14503.1051 246.2683 -203108.3687 2419.5637 0.0000 0.0000 51679.0315 -109781.5510 297.0001 -161460.5825 -109426.6082 298.4478 -226.7537 -198.4410 759653.5432 18.4084 18.3846 PRESSURE: 2751000 493.978 -33.479 -159.764 -33.4791 -224.715 -27.9741 -159.765 -27.975 336.849 GPRESSURE: 2751000 465.233 -71.4581 -170.09 -46.7514 -144.086 7.33024 -58.3017 83.7041 351.302 PRESSAVG: 2751000 10.797 0.00729535 17.9163 0.00731561 29.1381 4.03228 17.9163 4.03222 17.3878 GPRESSAVG: 2751000 10.1612 -0.957892 15.681 1.16835 28.909 5.2616 20.9325 1.91069 18.2299 TIMING: 2751000 CPU: 8767.32, 0.0031381/step Wall: 8767.32, 0.0031381/step, 1.96044 hours remaining, 234.531250 MB of memory in use. ENERGY: 2751000 4017.0811 20507.4956 14489.4987 279.4215 -203746.0782 2642.3413 0.0000 0.0000 51740.2977 -110069.9423 297.3522 -161810.2400 -109708.1061 298.3543 202.0372 224.1497 758790.8741 19.1076 19.1000 PRESSURE: 2751200 15.5028 -89.2765 80.6611 -89.2763 17.0209 -111.609 80.6604 -111.608 -312.706 GPRESSURE: 2751200 71.8137 -41.5807 -16.4522 -109.458 73.3669 -79.9867 127.614 24.1349 -327.123 PRESSAVG: 2751200 54.4804 24.0285 -70.2446 24.0285 19.2965 3.61487 -70.2446 3.61488 -11.0217 GPRESSAVG: 2751200 54.3162 25.7598 -69.3707 23.6541 20.3927 2.68549 -70.8046 6.23173 -11.9265 TIMING: 2751200 CPU: 8767.94, 0.00312611/step Wall: 8767.94, 0.00312611/step, 1.95278 hours remaining, 234.531250 MB of memory in use. ENERGY: 2751200 3910.2011 20675.2516 14451.1654 246.1362 -203395.8872 2420.4010 0.0000 0.0000 51838.5764 -109854.1556 297.9170 -161692.7320 -109504.5253 298.3306 -93.3940 -60.6475 759797.7156 20.9184 20.9274 PRESSURE: 2751400 239.945 299.868 74.1425 299.868 107.856 -184.131 74.1445 -184.13 21.5231 GPRESSURE: 2751400 365.754 329.074 189.731 316.059 80.2182 -192.861 -10.8848 -20.9626 -3.33316 PRESSAVG: 2751400 -52.9422 -46.9565 8.27995 -46.9565 14.8881 -4.92443 8.27996 -4.92443 -27.2002 GPRESSAVG: 2751400 -52.3126 -47.6098 8.42492 -46.0531 13.2383 -5.92803 6.78804 -3.5951 -26.5308 TIMING: 2751400 CPU: 8768.57, 0.00313302/step Wall: 8768.57, 0.00313302/step, 1.95692 hours remaining, 234.531250 MB of memory in use. ENERGY: 2751400 3965.7971 20519.8940 14444.3215 255.2193 -203909.7163 2714.0318 0.0000 0.0000 52107.8228 -109902.6297 299.4644 -162010.4526 -109539.4641 298.5644 123.1082 147.5463 759027.9294 -21.7514 -21.8684 PRESSURE: 2751600 -186.162 -127.278 -0.902459 -127.278 -282.537 52.0562 -0.901979 52.0571 13.6201 GPRESSURE: 2751600 -88.8708 -177.766 68.9376 -200.798 -249.093 -19.1296 -112.233 34.7258 -17.3065 PRESSAVG: 2751600 28.6765 -17.1695 -16.2163 -17.1696 -33.731 4.30195 -16.2163 4.30193 -10.4369 GPRESSAVG: 2751600 28.1901 -16.3357 -14.8007 -18.1541 -32.9267 5.24514 -16.3093 3.25719 -10.5602 TIMING: 2751600 CPU: 8769.2, 0.00313939/step Wall: 8769.2, 0.00313939/step, 1.96072 hours remaining, 234.531250 MB of memory in use. ENERGY: 2751600 4013.5581 20349.4495 14482.2724 236.7644 -203501.2229 2465.6208 0.0000 0.0000 52093.5509 -109860.0069 299.3824 -161953.5577 -109487.7073 298.7018 -151.6933 -118.4235 760176.1059 -5.1638 -5.0989 PRESSURE: 2751800 -41.5472 -37.2117 -10.2363 -37.2114 235.029 189.795 -10.2357 189.795 -100.826 GPRESSURE: 2751800 64.2168 -86.5882 -93.7817 -74.0623 189.797 206.733 -30.719 98.7363 -73.0851 PRESSAVG: 2751800 -7.10312 -23.1667 -14.3524 -23.1667 37.8985 57.1949 -14.3524 57.1949 12.3717 GPRESSAVG: 2751800 -7.75867 -25.1286 -16.3996 -24.3649 39.5521 58.4639 -14.6575 54.4917 11.8994 TIMING: 2751800 CPU: 8769.82, 0.00312944/step Wall: 8769.82, 0.00312944/step, 1.95433 hours remaining, 234.531250 MB of memory in use. ENERGY: 2751800 4010.5518 20509.5474 14477.8938 257.7250 -203902.8856 2839.9849 0.0000 0.0000 51971.1656 -109836.0171 298.6790 -161807.1827 -109475.3001 299.1228 30.8852 60.3097 761014.3575 14.3890 14.5643 PRESSURE: 2752000 -548.339 -194.914 -124.772 -194.913 -97.2045 50.8718 -124.772 50.871 -174.777 GPRESSURE: 2752000 -471.049 -126.027 -138.446 -294.238 -92.2166 17.7354 -262.209 54.3585 -177.889 PRESSAVG: 2752000 8.2805 -44.16 -26.838 -44.16 -42.6347 -2.00309 -26.838 -2.00322 -34.69 GPRESSAVG: 2752000 10.1781 -43.1129 -27.77 -42.2965 -44.0237 -2.12825 -24.2427 -0.319839 -34.8472 TIMING: 2752000 CPU: 8770.45, 0.00313937/step Wall: 8770.45, 0.00313937/step, 1.96036 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2752000 3943.6393 20511.5361 14448.7688 246.5873 -203238.9425 2248.9207 0.0000 0.0000 51973.0089 -109866.4812 298.6896 -161839.4902 -109510.6376 298.3178 -273.4402 -247.0516 760996.3385 -23.0147 -22.8976 PRESSURE: 2752200 -9.87272 11.4245 127.724 11.4257 -179.143 31.5836 127.724 31.5837 -143.856 GPRESSURE: 2752200 -38.7587 124.015 148.604 83.8897 -31.0067 -31.2033 176.876 139.784 -186.199 PRESSAVG: 2752200 17.6959 -45.3931 -85.7301 -45.393 6.95967 -14.5139 -85.7301 -14.5139 16.12 GPRESSAVG: 2752200 16.2716 -44.6166 -85.5118 -47.3082 6.8744 -15.7235 -85.3001 -15.7294 17.4077 TIMING: 2752200 CPU: 8771.08, 0.00314706/step Wall: 8771.08, 0.00314706/step, 1.96499 hours remaining, 234.531250 MB of memory in use. ENERGY: 2752200 3997.8144 20374.4352 14486.0994 248.1086 -203616.6104 2438.9180 0.0000 0.0000 52264.0545 -109807.1803 300.3622 -162071.2348 -109447.2212 298.8129 -110.9572 -85.3216 759885.2374 13.5919 13.5179 LDB: ============= START OF LOAD BALANCING ============== 8783.5 LDB: ============== END OF LOAD BALANCING =============== 8783.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8783.5 LDB: ============= START OF LOAD BALANCING ============== 8783.82 LDB: Largest compute 7031 load 0.031596 is 16.2% of average load 0.195492 LDB: Average compute 0.004424 is 2.3% of average load 0.195492 LDB: TIME 8783.82 LOAD: AVG 0.195492 MAX 0.219452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.438 MB LDB: TIME 8783.82 LOAD: AVG 0.195492 MAX 0.219452 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 8783.82 LOAD: AVG 0.195492 MAX 0.217954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 8783.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8783.83 PRESSURE: 2752400 94.5128 -140.354 207.717 -140.354 -415.831 39.4487 207.717 39.4485 230.31 GPRESSURE: 2752400 166.963 -217.166 174.178 -98.9322 -370.546 43.7263 182.564 26.8619 205.74 PRESSAVG: 2752400 -47.731 -62.469 -26.39 -62.4689 -4.92683 6.55448 -26.3899 6.5546 -16.0886 GPRESSAVG: 2752400 -46.2751 -65.0875 -24.7535 -59.9576 -5.53142 7.96993 -25.6683 7.25193 -17.0793 TIMING: 2752400 CPU: 8771.72, 0.00319555/step Wall: 8771.72, 0.00319554/step, 1.99508 hours remaining, 234.074219 MB of memory in use. ENERGY: 2752400 3966.0656 20465.9630 14464.4543 239.0494 -203480.1031 2681.3600 0.0000 0.0000 52067.2368 -109595.9741 299.2311 -161663.2109 -109241.2056 299.2421 -30.3360 0.7191 762331.5594 -22.9155 -22.9620 PRESSURE: 2752600 -204.446 79.4028 76.181 79.4032 40.3248 58.666 76.1819 58.6657 -263.106 GPRESSURE: 2752600 -80.2558 185.278 122.529 106.936 31.9138 -48.4231 132.18 -0.543374 -277.757 PRESSAVG: 2752600 49.7138 -69.3331 47.3285 -69.333 -55.8566 0.785226 47.3285 0.785204 5.83146 GPRESSAVG: 2752600 48.6103 -67.6314 48.714 -70.2353 -56.0238 -1.10056 43.8131 0.52393 6.87391 TIMING: 2752600 CPU: 8772.35, 0.00313484/step Wall: 8772.35, 0.00313484/step, 1.95701 hours remaining, 234.601562 MB of memory in use. ENERGY: 2752600 3971.0469 20469.5722 14462.5999 251.7820 -203418.3436 2394.4939 0.0000 0.0000 52167.2303 -109701.6184 299.8058 -161868.8487 -109337.8345 299.1266 -142.4090 -108.6995 759758.0755 -0.1038 -0.1799 PRESSURE: 2752800 64.2557 19.5998 129.434 19.5994 -226.05 -55.6752 129.434 -55.6769 226.362 GPRESSURE: 2752800 92.6797 91.7182 13.4505 -14.8546 -142.312 -126.104 124.029 103.534 200.439 PRESSAVG: 2752800 55.086 -51.0155 -52.9737 -51.0155 -38.9534 15.563 -52.9737 15.563 -8.11753 GPRESSAVG: 2752800 55.3348 -51.8908 -55.6728 -50.887 -38.5013 18.1788 -49.1547 15.8901 -8.35942 TIMING: 2752800 CPU: 8772.98, 0.00314311/step Wall: 8772.98, 0.00314311/step, 1.962 hours remaining, 234.601562 MB of memory in use. ENERGY: 2752800 4051.0823 20536.9366 14510.3101 260.8396 -203484.0813 2508.6041 0.0000 0.0000 51983.9447 -109632.3640 298.7524 -161616.3087 -109271.5594 299.6088 21.5224 50.2687 760085.0125 2.6717 2.8247 PRESSURE: 2753000 50.3374 -48.4792 -245.347 -48.4805 -34.0003 368.949 -245.346 368.95 -132.622 GPRESSURE: 2753000 99.2096 -83.937 -215.53 28.0232 -27.4478 352.165 -220.5 264.224 -119.993 PRESSAVG: 2753000 -17.3815 -6.3414 -29.4734 -6.34142 5.73812 -15.7328 -29.4733 -15.7328 -16.3223 GPRESSAVG: 2753000 -17.1765 -4.01784 -28.2312 -8.67614 5.78765 -17.3498 -29.8933 -16.3384 -17.1839 TIMING: 2753000 CPU: 8773.61, 0.00316703/step Wall: 8773.61, 0.00316703/step, 1.97675 hours remaining, 234.601562 MB of memory in use. ENERGY: 2753000 3960.0921 20517.0262 14520.9883 241.8426 -203804.0715 2756.4214 0.0000 0.0000 51989.4800 -109818.2209 298.7843 -161807.7009 -109460.0554 298.6300 -38.7618 -16.0769 760227.7824 -9.3219 -9.5242 PRESSURE: 2753200 -190.818 112.874 96.5398 112.874 -270.933 -90.1862 96.539 -90.1862 -123.612 GPRESSURE: 2753200 -127.068 33.9228 66.233 142.669 -188.053 -93.0497 122.882 41.6445 -181.923 PRESSAVG: 2753200 -8.12356 -2.1825 1.52134 -2.1824 -10.5696 -0.597471 1.52129 -0.597409 4.18364 GPRESSAVG: 2753200 -8.63494 -4.86514 1.67073 1.16842 -9.85689 0.0232455 -0.160495 -0.209217 3.93343 TIMING: 2753200 CPU: 8774.23, 0.00312532/step Wall: 8774.23, 0.00312532/step, 1.95055 hours remaining, 234.601562 MB of memory in use. ENERGY: 2753200 3962.4296 20515.9487 14506.4096 244.1096 -203228.0223 2456.2112 0.0000 0.0000 51865.7478 -109677.1658 298.0732 -161542.9136 -109314.9382 298.3972 -195.1210 -165.6812 761150.5071 -4.8365 -4.8528 PRESSURE: 2753400 -215.237 -185.06 -31.6885 -185.06 -83.1538 -12.2586 -31.6894 -12.2584 -125.186 GPRESSURE: 2753400 -158.371 -92.8694 -40.2791 -140.856 -54.7037 -58.1792 -69.4433 151.279 -129.995 PRESSAVG: 2753400 -25.5937 -4.13686 0.316318 -4.1369 5.52072 -20.9976 0.316277 -20.9977 5.53314 GPRESSAVG: 2753400 -25.1423 -2.27044 -1.68815 -5.5448 4.8773 -22.3078 1.54456 -20.5922 5.98424 TIMING: 2753400 CPU: 8774.86, 0.00312812/step Wall: 8774.86, 0.00312812/step, 1.95212 hours remaining, 234.671875 MB of memory in use. ENERGY: 2753400 4027.7042 20613.0065 14483.2044 246.7122 -203361.2317 2502.1244 0.0000 0.0000 52067.8059 -109420.6741 299.2344 -161488.4800 -109063.1375 298.9811 -141.1922 -114.3567 761779.9247 -4.8466 -4.7603 PRESSURE: 2753600 -192.588 -6.06435 -201.102 -6.06415 225.031 73.8516 -201.102 73.8514 -91.0316 GPRESSURE: 2753600 -251.393 33.4227 -175.403 39.4645 181.629 70.7087 -120.48 42.3399 89.0079 PRESSAVG: 2753600 42.443 -48.9703 47.4372 -48.9703 -26.9628 -6.06441 47.4373 -6.06452 2.6612 GPRESSAVG: 2753600 42.1523 -50.395 49.2668 -49.0312 -27.4012 -4.39464 45.4506 -7.37863 3.54593 TIMING: 2753600 CPU: 8775.49, 0.00314521/step Wall: 8775.49, 0.00314521/step, 1.96261 hours remaining, 234.671875 MB of memory in use. ENERGY: 2753600 4088.6423 20594.9392 14519.1855 258.1103 -203200.2646 2252.4070 0.0000 0.0000 52308.3909 -109178.5895 300.6170 -161486.9804 -108828.5622 299.9022 -19.5295 6.4146 759545.2810 6.0471 6.0990 PRESSURE: 2753800 -275.517 118.846 -53.1133 118.845 35.3786 -43.822 -53.1127 -43.8224 199.673 GPRESSURE: 2753800 -197.139 98.0966 78.0077 101.146 138.689 -60.641 -106.398 -95.6086 115.012 PRESSAVG: 2753800 -20.3529 62.113 22.4924 62.113 13.8296 -10.8881 22.4924 -10.8881 -16.8627 GPRESSAVG: 2753800 -19.5496 63.9377 23.9828 61.8588 13.3529 -11.6839 23.4887 -13.1567 -17.4329 TIMING: 2753800 CPU: 8776.12, 0.00312939/step Wall: 8776.12, 0.00312939/step, 1.95256 hours remaining, 234.671875 MB of memory in use. ENERGY: 2753800 3993.7029 20473.2074 14505.6452 261.8372 -203307.6475 2549.6718 0.0000 0.0000 52487.7042 -109035.8789 301.6476 -161523.5831 -108676.6184 299.9290 -13.4883 18.8540 760109.2666 -7.7953 -7.8765 PRESSURE: 2754000 -47.7069 108.287 -301.987 108.288 -99.4389 -78.6962 -301.987 -78.6962 134.486 GPRESSURE: 2754000 -60.3588 -16.0363 -308.469 153.623 39.9728 -162.782 -285.65 -39.3457 82.3118 PRESSAVG: 2754000 -7.2496 -44.25 -14.2024 -44.25 -0.235307 2.55661 -14.2025 2.55655 -8.06462 GPRESSAVG: 2754000 -7.22657 -45.9634 -16.6883 -42.729 0.0985487 1.10965 -14.9814 7.24959 -8.1312 TIMING: 2754000 CPU: 8776.74, 0.00313536/step Wall: 8776.74, 0.00313536/step, 1.95612 hours remaining, 234.671875 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: 2754000 3967.2455 20626.2968 14524.4148 237.1697 -203125.2757 2614.9107 0.0000 0.0000 52293.0539 -108862.1843 300.5289 -161155.2382 -108503.5739 300.3405 -4.2200 20.6419 759439.6117 -5.1832 -5.0864 PRESSURE: 2754200 203.025 -13.6726 -22.8231 -13.6727 -140.441 -189.808 -22.8233 -189.808 -57.7689 GPRESSURE: 2754200 290.737 68.1404 -47.3769 -30.9177 -147.41 -134.986 5.62618 -283.897 -58.1878 PRESSAVG: 2754200 38.9237 -11.7588 21.2412 -11.7589 -29.1431 -26.4031 21.2412 -26.403 8.36458 GPRESSAVG: 2754200 38.6364 -12.0474 22.9771 -13.5084 -29.2384 -23.9339 21.7414 -30.5106 9.01294 TIMING: 2754200 CPU: 8777.37, 0.00314777/step Wall: 8777.37, 0.00314777/step, 1.96368 hours remaining, 234.671875 MB of memory in use. ENERGY: 2754200 3947.7639 20686.7335 14490.6862 256.8718 -203600.8150 2692.3298 0.0000 0.0000 52718.8381 -108807.5918 302.9759 -161526.4299 -108457.1050 300.7655 1.6050 28.3798 761135.5876 6.0484 6.1370 PRESSURE: 2754400 -229.583 -16.2659 26.7129 -16.2659 2.74516 207.26 26.7132 207.26 -110.62 GPRESSURE: 2754400 -98.4458 -46.7934 86.7299 83.8789 -51.7585 94.0416 -56.5735 184.378 -74.2402 PRESSAVG: 2754400 1.24467 -4.681 -47.6317 -4.68096 -16.5254 -9.3357 -47.6317 -9.33567 6.41357 GPRESSAVG: 2754400 1.32675 -4.2209 -48.9593 -2.21731 -16.1683 -9.61396 -48.6464 -6.48878 6.15992 TIMING: 2754400 CPU: 8778, 0.0031232/step Wall: 8778, 0.0031232/step, 1.94818 hours remaining, 234.671875 MB of memory in use. ENERGY: 2754400 4026.9652 20663.1407 14542.0283 247.7903 -202918.4685 2227.2890 0.0000 0.0000 52094.7981 -109116.4568 299.3895 -161211.2550 -108751.1630 300.4585 -112.4860 -74.8148 760602.1336 -2.9557 -2.8939 PRESSURE: 2754600 -89.63 -126.734 -117.88 -126.735 -223.229 62.9918 -117.879 62.9909 -80.535 GPRESSURE: 2754600 -138.307 -108.373 -75.2989 -23.5896 -158.945 -35.0234 63.7029 136.376 3.1147 PRESSAVG: 2754600 -48.0665 -30.0916 -38.217 -30.0917 61.1466 7.24985 -38.2171 7.24986 5.012 GPRESSAVG: 2754600 -49.49 -29.1805 -37.8666 -32.4062 62.9325 5.8033 -36.8625 6.84355 4.94687 TIMING: 2754600 CPU: 8778.62, 0.00311599/step Wall: 8778.62, 0.00311599/step, 1.94351 hours remaining, 234.671875 MB of memory in use. ENERGY: 2754600 4043.9582 20569.0264 14507.6973 247.5960 -203089.0366 2498.5301 0.0000 0.0000 52019.1744 -109203.0543 298.9549 -161222.2287 -108840.3591 300.2624 -131.1312 -98.0456 760062.7152 6.0307 6.1298 PRESSURE: 2754800 -49.0758 -137.563 54.3397 -137.563 -382.076 241.43 54.3403 241.43 -126.301 GPRESSURE: 2754800 -57.9224 -96.6702 46.1572 -93.9127 -292.958 156.61 92.7672 301.33 -125.762 PRESSAVG: 2754800 -44.0731 -57.1631 41.4721 -57.163 49.2831 0.692004 41.4721 0.691938 -12.9528 GPRESSAVG: 2754800 -43.4111 -58.1724 42.4811 -56.066 49.6053 1.13598 40.1099 -0.181213 -14.3702 TIMING: 2754800 CPU: 8779.24, 0.00311129/step Wall: 8779.24, 0.00311129/step, 1.94041 hours remaining, 234.671875 MB of memory in use. ENERGY: 2754800 3982.5119 20541.9458 14548.3570 240.3190 -203061.2732 2354.4300 0.0000 0.0000 51873.0119 -109520.6976 298.1149 -161393.7095 -109166.3195 299.0888 -185.8175 -158.8806 760787.6669 -2.5809 -2.7254 PRESSURE: 2755000 -126.977 -281.268 -64.1466 -281.269 -21.6635 -29.7739 -64.1461 -29.7754 -242.695 GPRESSURE: 2755000 -86.6643 -125.775 34.6453 -178.898 -3.17246 -92.7554 32.2093 149.968 -223.023 PRESSAVG: 2755000 -61.5338 -44.3168 19.9091 -44.3168 32.3062 -23.1862 19.9092 -23.1863 6.16278 GPRESSAVG: 2755000 -59.9825 -43.463 19.3615 -44.1249 29.1726 -23.5215 20.4219 -22.1106 7.7541 TIMING: 2755000 CPU: 8779.87, 0.00312635/step Wall: 8779.87, 0.00312635/step, 1.94963 hours remaining, 234.671875 MB of memory in use. ENERGY: 2755000 3914.0274 20535.1558 14490.2873 260.8651 -202823.0043 2262.4989 0.0000 0.0000 51914.0849 -109446.0849 298.3510 -161360.1698 -109085.3761 299.4004 -130.4449 -104.2865 760580.1969 -7.6883 -7.6853 PRESSURE: 2755200 -117.745 -113.351 52.8369 -113.352 67.0402 71.2098 52.8371 71.2089 -217.011 GPRESSURE: 2755200 35.035 -114.29 9.32837 -131.94 32.7642 30.2337 211.835 -13.1658 -256.219 PRESSAVG: 2755200 30.6404 14.7174 -9.99722 14.7173 14.3008 54.8909 -9.99718 54.8908 -33.0019 GPRESSAVG: 2755200 31.4386 14.7021 -10.1166 13.287 14.3755 55.2322 -11.2458 54.0909 -34.1927 TIMING: 2755200 CPU: 8780.49, 0.0031318/step Wall: 8780.49, 0.0031318/step, 1.95285 hours remaining, 234.671875 MB of memory in use. ENERGY: 2755200 3929.0606 20618.7007 14516.1432 252.0924 -203440.0873 2687.0300 0.0000 0.0000 52065.6327 -109371.4277 299.2219 -161437.0604 -109012.4267 299.6820 -89.2386 -62.8066 761192.0789 3.9798 3.8738 PRESSURE: 2755400 -59.6899 -68.456 81.8974 -68.4562 -20.6391 8.10151 81.8974 8.10109 250.309 GPRESSURE: 2755400 -7.85805 -132.477 58.3988 -75.3878 43.0453 -24.1303 114.982 -98.2944 207.959 PRESSAVG: 2755400 22.329 -50.5977 26.7953 -50.5978 5.5629 20.0231 26.7953 20.023 -3.49994 GPRESSAVG: 2755400 21.0265 -50.8443 26.459 -49.8388 6.80555 19.699 30.1935 20.9529 -3.07105 TIMING: 2755400 CPU: 8781.13, 0.00316298/step Wall: 8781.13, 0.00316298/step, 1.97212 hours remaining, 234.671875 MB of memory in use. ENERGY: 2755400 3986.1268 20401.5400 14518.4880 258.3427 -203092.3022 2307.4826 0.0000 0.0000 52363.8000 -109256.5221 300.9355 -161620.3221 -108887.8776 299.7340 56.6601 81.0488 760880.7240 8.1307 8.2537 PRESSURE: 2755600 365.069 224.838 133.944 224.838 -298.166 -3.65218 133.945 -3.65241 -113.002 GPRESSURE: 2755600 396.135 188.04 87.4721 199.702 -337.158 0.404327 141.383 -55.9818 -16.0989 PRESSAVG: 2755600 2.33278 -10.4883 29.691 -10.4883 -16.7526 36.9223 29.691 36.9223 -5.13692 GPRESSAVG: 2755600 2.31302 -10.376 30.0415 -11.5041 -17.2746 39.3811 26.8866 34.9832 -4.69369 TIMING: 2755600 CPU: 8781.75, 0.00314411/step Wall: 8781.75, 0.00314411/step, 1.96018 hours remaining, 234.671875 MB of memory in use. ENERGY: 2755600 3987.9739 20490.8350 14527.4093 229.9975 -203182.4171 2316.2696 0.0000 0.0000 52323.1044 -109306.8274 300.7016 -161629.9317 -108936.0857 299.7092 -15.3662 14.2927 760685.3131 -6.5189 -6.5517 PRESSURE: 2755800 324.653 48.4008 -14.0397 48.4 -101.448 -175.258 -14.0394 -175.257 -51.8198 GPRESSURE: 2755800 371.2 111.633 -37.9543 23.5837 -20.4962 -129.686 -46.574 -312.013 -80.212 PRESSAVG: 2755800 70.3227 22.938 -0.506993 22.9381 -45.6461 27.1988 -0.506963 27.1988 -0.867968 GPRESSAVG: 2755800 70.09 22.8201 -1.07178 25.8158 -44.7021 24.56 -0.031925 29.6039 -1.56685 TIMING: 2755800 CPU: 8782.39, 0.00315526/step Wall: 8782.39, 0.00315526/step, 1.96695 hours remaining, 234.671875 MB of memory in use. ENERGY: 2755800 3993.3425 20488.0583 14539.6812 250.8932 -203140.2512 2608.7489 0.0000 0.0000 52018.5738 -109240.9533 298.9515 -161259.5271 -108886.7430 299.9406 57.1281 90.1638 760950.8612 7.9362 7.9403 PRESSURE: 2756000 232.327 -107.537 -252.024 -107.537 4.50638 53.1792 -252.024 53.1788 -16.5962 GPRESSURE: 2756000 295.795 -157.439 -210.984 -154.281 5.70112 38.7399 -76.1401 67.2106 3.5455 PRESSAVG: 2756000 58.0786 -30.6702 -6.5044 -30.6702 -33.7197 -7.68015 -6.50446 -7.68016 10.7048 GPRESSAVG: 2756000 58.7472 -30.6429 -6.22406 -32.3894 -34.8812 -5.07645 -7.38367 -6.73795 11.2505 TIMING: 2756000 CPU: 8783.01, 0.00314399/step Wall: 8783.01, 0.00314399/step, 1.95976 hours remaining, 234.671875 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: 2756000 3948.8356 20368.2863 14432.8846 234.6168 -203017.5533 2443.9822 0.0000 0.0000 52290.4963 -109298.4515 300.5142 -161588.9478 -108930.2375 299.3872 73.4125 101.6806 762098.7427 11.6879 11.7055 PRESSURE: 2756200 124.709 352.821 -64.8372 352.821 -280.763 -233.846 -64.837 -233.846 -124.946 GPRESSURE: 2756200 137.132 310.706 -117.641 355.755 -261.603 -156.688 -75.3578 -284.057 -82.5364 PRESSAVG: 2756200 26.4168 -33.4332 -1.3505 -33.4332 -22.4317 13.6073 -1.35051 13.6074 -9.29933 GPRESSAVG: 2756200 26.1685 -34.2448 -0.306808 -31.7668 -22.058 11.3341 -1.63151 11.6765 -9.76604 TIMING: 2756200 CPU: 8783.64, 0.00314527/step Wall: 8783.64, 0.00314527/step, 1.96038 hours remaining, 234.671875 MB of memory in use. ENERGY: 2756200 3874.7343 20421.8796 14552.9313 258.8850 -202371.6617 1917.1067 0.0000 0.0000 51961.3636 -109384.7613 298.6227 -161346.1249 -109030.0658 299.2028 -93.6665 -69.0026 761936.8248 -1.7714 -1.8852 LDB: ============= START OF LOAD BALANCING ============== 8796.06 LDB: ============== END OF LOAD BALANCING =============== 8796.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8796.07 LDB: ============= START OF LOAD BALANCING ============== 8796.38 LDB: Largest compute 7024 load 0.030552 is 15.6% of average load 0.195328 LDB: Average compute 0.004406 is 2.3% of average load 0.195328 LDB: TIME 8796.38 LOAD: AVG 0.195328 MAX 0.219832 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.141 MB LDB: TIME 8796.38 LOAD: AVG 0.195328 MAX 0.219832 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 8796.38 LOAD: AVG 0.195328 MAX 0.217853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 8796.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8796.39 PRESSURE: 2756400 -110.545 -60.2326 216.453 -60.2329 44.9308 -100.101 216.453 -100.101 167.654 GPRESSURE: 2756400 -86.5563 -196.86 293.296 -23.6044 98.6015 -105.622 269.69 -134.344 188.074 PRESSAVG: 2756400 -23.5669 -9.19933 13.1925 -9.19924 26.903 9.27385 13.1925 9.27387 -31.8417 GPRESSAVG: 2756400 -24.3319 -7.71567 11.8757 -9.7185 27.1779 9.55152 15.6076 10.8103 -31.8142 TIMING: 2756400 CPU: 8784.29, 0.00320652/step Wall: 8784.29, 0.00320652/step, 1.99837 hours remaining, 234.832031 MB of memory in use. ENERGY: 2756400 3957.2673 20513.8435 14506.6198 230.9879 -202700.5977 2338.6851 0.0000 0.0000 51876.6979 -109276.4962 298.1361 -161153.1941 -108909.5136 298.7352 34.0130 66.7064 760808.9009 -9.5019 -9.6560 PRESSURE: 2756600 -290.169 -113.698 -121.96 -113.699 -479.482 -45.5599 -121.96 -45.5597 -439.375 GPRESSURE: 2756600 -149.913 3.08701 -110.423 -111.376 -500.173 69.9423 -6.50133 -56.8442 -481.537 PRESSAVG: 2756600 -50.2977 -75.3836 57.1641 -75.3836 22.3421 -18.9029 57.1642 -18.9029 27.0278 GPRESSAVG: 2756600 -48.6201 -75.9033 58.0275 -76.389 20.7475 -18.7542 56.4527 -20.1071 27.2111 TIMING: 2756600 CPU: 8784.92, 0.00317187/step Wall: 8784.92, 0.00317187/step, 1.9766 hours remaining, 235.035156 MB of memory in use. ENERGY: 2756600 3974.5620 20396.7726 14455.1503 253.5471 -202849.1132 2090.3214 0.0000 0.0000 52339.6408 -109339.1190 300.7966 -161678.7598 -108964.8139 299.3196 -403.0086 -377.2077 761696.0885 -0.3093 -0.2205 PRESSURE: 2756800 187.915 73.3822 143.689 73.3824 80.5475 -145.91 143.689 -145.911 150.008 GPRESSURE: 2756800 143.742 106.214 146.454 -48.7591 84.5558 -233.436 96.9044 -228.237 270.978 PRESSAVG: 2756800 -13.9384 -28.8463 7.49479 -28.8463 15.5037 -37.599 7.49482 -37.599 -2.45777 GPRESSAVG: 2756800 -14.5381 -30.1737 4.92506 -28.2914 16.3653 -39.7731 9.601 -35.2904 -2.47841 TIMING: 2756800 CPU: 8785.55, 0.00316221/step Wall: 8785.55, 0.00316221/step, 1.97041 hours remaining, 235.035156 MB of memory in use. ENERGY: 2756800 3961.6259 20490.4650 14417.9685 247.3444 -203600.7287 2696.0967 0.0000 0.0000 52466.7422 -109320.4861 301.5271 -161787.2283 -108956.3734 299.3670 139.4899 166.4254 762111.9159 -0.2975 -0.2171 PRESSURE: 2757000 586.761 71.8927 -85.9609 71.8922 -31.3799 -18.8176 -85.961 -18.8179 216.925 GPRESSURE: 2757000 625.194 38.341 18.8035 108.896 27.4319 2.76606 -104.848 -14.3294 209.34 PRESSAVG: 2757000 71.0424 -25.1377 0.309494 -25.1377 -21.2727 -35.9783 0.309468 -35.9783 6.00034 GPRESSAVG: 2757000 70.0455 -24.4164 2.7373 -25.7045 -21.5921 -34.6039 -1.86239 -36.8885 6.66254 TIMING: 2757000 CPU: 8786.18, 0.00313979/step Wall: 8786.18, 0.00313979/step, 1.95627 hours remaining, 235.035156 MB of memory in use. ENERGY: 2757000 3981.9794 20573.7193 14471.6290 261.2802 -203556.1489 2878.9640 0.0000 0.0000 52175.6983 -109212.8784 299.8545 -161388.5768 -108854.0782 299.6633 257.4354 287.3219 761073.7642 18.5900 18.3720 PRESSURE: 2757200 -93.721 90.5672 -193.414 90.5666 -198.145 -56.1798 -193.414 -56.1805 -219.552 GPRESSURE: 2757200 -73.462 146.753 -112.969 -25.445 -110.941 -52.522 -90.7429 -40.2532 -237.389 PRESSAVG: 2757200 68.2175 12.0686 15.6894 12.0686 -23.2076 14.936 15.6893 14.936 -19.1653 GPRESSAVG: 2757200 68.994 12.9057 15.0464 11.3144 -23.2376 16.4043 16.3522 13.6781 -19.5622 TIMING: 2757200 CPU: 8786.81, 0.00313755/step Wall: 8786.81, 0.00313755/step, 1.95469 hours remaining, 235.035156 MB of memory in use. ENERGY: 2757200 4004.2917 20486.4232 14455.0100 256.2270 -203255.0041 2622.7410 0.0000 0.0000 52074.5804 -109355.7307 299.2733 -161430.3111 -109001.9322 299.6538 -170.4729 -140.5974 762278.9180 8.6149 8.7314 PRESSURE: 2757400 -94.4245 44.2201 226.978 44.2201 -187.505 246.061 226.979 246.061 -53.3444 GPRESSURE: 2757400 -57.9773 64.4984 162.225 26.1446 -135.724 215.762 166.95 133.068 -32.8749 PRESSAVG: 2757400 33.4277 -59.4509 35.7723 -59.4509 -53.9345 24.7392 35.7722 24.7392 -13.31 GPRESSAVG: 2757400 32.6699 -59.2293 34.4986 -60.8359 -54.0472 25.6814 35.1592 23.6565 -12.6596 TIMING: 2757400 CPU: 8787.44, 0.00316509/step Wall: 8787.44, 0.00316509/step, 1.97167 hours remaining, 235.035156 MB of memory in use. ENERGY: 2757400 3970.5560 20490.3235 14466.1707 245.6079 -203039.7429 2307.9185 0.0000 0.0000 52101.3913 -109457.7750 299.4274 -161559.1663 -109093.1967 300.1879 -111.7579 -75.5256 760478.0809 -11.2723 -11.3456 PRESSURE: 2757600 467.904 5.02039 38.0196 5.02089 3.76309 39.8521 38.0197 39.8515 327.785 GPRESSURE: 2757600 445.078 18.0807 -40.0394 -29.5767 80.7729 9.00114 26.2262 76.773 345.977 PRESSAVG: 2757600 21.6455 2.3892 20.1985 2.38924 -49.4409 66.1437 20.1985 66.1437 4.66821 GPRESSAVG: 2757600 21.8352 1.45557 22.0533 5.01633 -49.0197 63.6469 20.4417 65.2654 3.97647 TIMING: 2757600 CPU: 8788.07, 0.00313704/step Wall: 8788.07, 0.00313704/step, 1.95403 hours remaining, 235.035156 MB of memory in use. ENERGY: 2757600 4005.6163 20573.3400 14399.9363 266.4219 -203178.5392 2443.6980 0.0000 0.0000 51986.5884 -109502.9384 298.7676 -161489.5268 -109132.2782 299.5509 266.4841 290.6094 760302.0123 -7.7091 -7.7360 PRESSURE: 2757800 -261.747 -33.4321 88.477 -33.4318 -235.503 99.6098 88.4767 99.6091 -213.322 GPRESSURE: 2757800 -179.376 -31.5827 54.6252 -35.5422 -195.238 11.8188 105.765 229.269 -260.368 PRESSAVG: 2757800 69.589 -47.9494 -14.9498 -47.9493 19.6254 -11.0481 -14.9498 -11.0481 -4.36469 GPRESSAVG: 2757800 70.0218 -46.65 -16.9284 -50.1916 19.8077 -10.5332 -16.3627 -10.4891 -4.73983 TIMING: 2757800 CPU: 8788.7, 0.00317374/step Wall: 8788.7, 0.00317374/step, 1.97671 hours remaining, 235.035156 MB of memory in use. ENERGY: 2757800 4037.2454 20264.2481 14384.8446 253.6314 -203277.0180 2622.3439 0.0000 0.0000 52204.2561 -109510.4485 300.0186 -161714.7046 -109147.4491 299.3335 -236.8572 -211.6606 762273.9214 28.2832 28.3633 PRESSURE: 2758000 -45.4953 134.797 -32.322 134.797 71.7335 52.6252 -32.3215 52.6241 131.585 GPRESSURE: 2758000 -62.1176 103.265 -19.311 147.426 176.989 50.1856 87.7311 152.617 126.428 PRESSAVG: 2758000 -48.2981 -32.9387 -10.1888 -32.9386 -6.23364 17.2426 -10.1887 17.2425 -38.7484 GPRESSAVG: 2758000 -47.8493 -34.5507 -9.56025 -32.0568 -6.85967 18.4084 -8.32673 19.0321 -38.5087 TIMING: 2758000 CPU: 8789.33, 0.00314336/step Wall: 8789.33, 0.00314336/step, 1.95761 hours remaining, 235.035156 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: 2758000 3910.3241 20531.8052 14406.0631 239.5656 -203243.0300 2388.5678 0.0000 0.0000 52181.1058 -109585.5984 299.8855 -161766.7042 -109224.7546 299.3619 52.6078 80.4331 761200.3382 -31.0934 -31.0726 PRESSURE: 2758200 -4.75935 127.458 -129.861 127.459 424.628 -16.8664 -129.861 -16.8673 259.605 GPRESSURE: 2758200 57.8565 72.6472 -142.908 244.047 385.687 -84.7534 -142.042 -5.84693 321.877 PRESSAVG: 2758200 34.6807 -20.7497 -31.801 -20.7497 -3.673 41.882 -31.801 41.882 -0.413246 GPRESSAVG: 2758200 33.2259 -19.3687 -30.0811 -20.2172 -3.8454 40.1675 -33.0796 40.3088 0.945724 TIMING: 2758200 CPU: 8789.96, 0.00314383/step Wall: 8789.96, 0.00314383/step, 1.95773 hours remaining, 235.035156 MB of memory in use. ENERGY: 2758200 3881.3624 20552.1453 14382.3043 244.0826 -203213.7472 2633.9468 0.0000 0.0000 51990.4409 -109529.4649 298.7898 -161519.9058 -109164.5601 299.1429 226.4913 255.1402 761251.5617 10.1982 10.1087 PRESSURE: 2758400 11.3378 -2.54442 8.70894 -2.54435 -208.644 59.9615 8.70725 59.9612 -364.927 GPRESSURE: 2758400 93.2588 31.6025 -18.1776 -24.6903 -218.155 29.465 87.233 73.6563 -335.74 PRESSAVG: 2758400 -6.5802 -17.3238 1.35487 -17.3237 -9.94996 12.5941 1.35491 12.5942 -3.47756 GPRESSAVG: 2758400 -5.96486 -17.7058 0.356366 -17.8831 -10.8984 13.2413 1.59574 14.8421 -3.28104 TIMING: 2758400 CPU: 8790.6, 0.00318083/step Wall: 8790.6, 0.00318083/step, 1.9806 hours remaining, 235.175781 MB of memory in use. ENERGY: 2758400 3990.5879 20269.3518 14367.0583 230.8325 -203133.6929 2382.8208 0.0000 0.0000 52213.0790 -109679.9627 300.0693 -161893.0417 -109315.9496 299.2770 -187.4109 -153.5454 762176.0632 -6.6692 -6.7148 PRESSURE: 2758600 421.396 -222.088 -32.6098 -222.088 -132.723 22.9011 -32.6102 22.9013 -158.796 GPRESSURE: 2758600 312.878 -214.858 -97.1475 -232.592 10.9331 30.0936 -153.718 122.272 -82.5733 PRESSAVG: 2758600 13.6042 -58.8667 7.56299 -58.8667 3.17177 12.5164 7.56304 12.5164 18.7602 GPRESSAVG: 2758600 13.7717 -59.4439 4.6235 -57.9131 3.70546 12.408 7.00387 11.8236 17.7666 TIMING: 2758600 CPU: 8791.24, 0.00319744/step Wall: 8791.24, 0.00319744/step, 1.99076 hours remaining, 235.175781 MB of memory in use. ENERGY: 2758600 3945.9223 20398.4736 14494.7845 220.2692 -203127.4030 2408.2547 0.0000 0.0000 52019.8961 -109639.8025 298.9591 -161659.6986 -109283.0791 298.9109 43.2926 80.4124 761047.1186 11.8454 11.7479 PRESSURE: 2758800 67.6088 -112.72 28.5509 -112.72 -324.804 -257.389 28.5512 -257.388 542.319 GPRESSURE: 2758800 109.632 -18.7692 19.9388 -118.558 -220.508 -129.223 41.4286 -266.245 485.788 PRESSAVG: 2758800 61.1586 -23.8509 8.939 -23.8509 -67.6305 42.385 8.93896 42.3851 10.0003 GPRESSAVG: 2758800 60.9466 -23.332 10.0972 -22.7451 -67.4866 41.4622 8.95305 40.7434 10.525 TIMING: 2758800 CPU: 8791.87, 0.0031494/step Wall: 8791.87, 0.0031494/step, 1.96068 hours remaining, 235.175781 MB of memory in use. ENERGY: 2758800 3943.5920 20366.9803 14390.3261 253.8931 -203132.1181 2387.8327 0.0000 0.0000 52140.8477 -109648.6461 299.6542 -161789.4939 -109288.9462 298.9034 95.0414 124.9706 762906.4411 1.1761 1.3283 PRESSURE: 2759000 -233.506 -14.1297 -2.66803 -14.1305 -162.829 62.8972 -2.66708 62.8983 -194.618 GPRESSURE: 2759000 -208.887 -8.39668 -7.31771 -50.1871 -29.9281 81.2345 -96.2316 105.394 -253.813 PRESSAVG: 2759000 -33.1451 -43.0917 -46.364 -43.0918 21.1299 16.1987 -46.364 16.1988 11.4776 GPRESSAVG: 2759000 -32.5773 -43.3477 -45.1379 -45.9213 21.2351 15.5342 -45.3245 20.9609 10.741 TIMING: 2759000 CPU: 8792.5, 0.00316024/step Wall: 8792.5, 0.00316024/step, 1.96725 hours remaining, 235.175781 MB of memory in use. ENERGY: 2759000 4013.9395 20579.3483 14376.2213 243.2351 -203174.0820 2371.1933 0.0000 0.0000 51877.9667 -109712.1780 298.1434 -161590.1446 -109356.5383 298.4255 -196.9843 -164.2093 763135.5789 -0.1792 -0.2004 PRESSURE: 2759200 39.7354 132.217 -150.787 132.216 -478.341 51.4316 -150.788 51.4317 467.836 GPRESSURE: 2759200 93.8175 87.7649 -7.31705 139.669 -464.465 45.092 -53.3294 -114.848 479.874 PRESSAVG: 2759200 41.8323 -46.672 -17.7987 -46.672 -51.5013 2.10186 -17.7987 2.10182 -4.47234 GPRESSAVG: 2759200 41.3665 -46.1589 -17.5773 -47.2806 -51.6272 1.58723 -18.5752 -0.879173 -4.05539 TIMING: 2759200 CPU: 8793.13, 0.00316665/step Wall: 8793.13, 0.00316665/step, 1.97106 hours remaining, 235.175781 MB of memory in use. ENERGY: 2759200 4038.9030 20497.6937 14371.7537 241.6683 -203373.5325 2718.2348 0.0000 0.0000 52006.2798 -109498.9993 298.8808 -161505.2791 -109149.7766 298.8926 9.7436 36.4088 763509.3586 -4.7138 -4.7720 PRESSURE: 2759400 99.0372 5.91776 46.8117 5.91913 -57.1653 265.301 46.8112 265.301 -246.574 GPRESSURE: 2759400 49.7191 -61.3531 84.6562 28.0399 30.98 330.328 9.67202 283.016 -204.251 PRESSAVG: 2759400 31.2119 -3.20805 13.6179 -3.20804 -55.6375 48.1222 13.6179 48.1221 -7.54141 GPRESSAVG: 2759400 29.8574 -2.5051 14.6527 -2.13466 -54.451 49.336 16.6761 47.7916 -7.86265 TIMING: 2759400 CPU: 8793.76, 0.00316332/step Wall: 8793.76, 0.00316332/step, 1.96881 hours remaining, 235.175781 MB of memory in use. ENERGY: 2759400 4003.8342 20396.1678 14368.9075 245.9635 -203401.0556 2616.3424 0.0000 0.0000 52244.6832 -109525.1569 300.2509 -161769.8402 -109170.1718 299.5772 -68.2342 -41.1841 762007.9691 -10.6557 -10.8188 PRESSURE: 2759600 124.994 -83.119 -29.3696 -83.1196 6.92432 -57.1997 -29.3696 -57.1989 460.016 GPRESSURE: 2759600 163.639 -146.347 -91.2967 -168.469 37.1113 -147.709 -128.639 -102.649 488.079 PRESSAVG: 2759600 40.695 -18.0833 -43.1821 -18.0833 35.4575 22.0251 -43.1821 22.0251 -2.88253 GPRESSAVG: 2759600 42.1312 -19.8522 -45.2426 -17.4967 34.155 22.0752 -45.5099 19.7353 -2.80537 TIMING: 2759600 CPU: 8794.4, 0.00317714/step Wall: 8794.4, 0.00317714/step, 1.97724 hours remaining, 235.175781 MB of memory in use. ENERGY: 2759600 4070.0786 20489.2968 14379.8397 243.2708 -203630.7819 2844.6695 0.0000 0.0000 52368.4848 -109235.1418 300.9624 -161603.6266 -108874.0086 299.9693 197.3115 229.6095 761535.3179 24.4233 24.4936 PRESSURE: 2759800 -255.507 -214.305 346.024 -214.305 -57.4351 132.965 346.025 132.964 110.893 GPRESSURE: 2759800 -149.442 -192.407 312.494 -103.631 -90.9391 93.8848 397.371 207.735 134.763 PRESSAVG: 2759800 6.02126 -23.8281 -17.3007 -23.8281 -53.1695 24.7967 -17.3007 24.7968 2.93986 GPRESSAVG: 2759800 5.88687 -25.6725 -17.3372 -22.8057 -52.8721 24.8093 -16.33 26.7637 2.96197 TIMING: 2759800 CPU: 8795.03, 0.00317221/step Wall: 8795.03, 0.00317221/step, 1.974 hours remaining, 235.175781 MB of memory in use. ENERGY: 2759800 4027.5218 20562.1053 14368.1049 239.0094 -203318.6984 2627.7842 0.0000 0.0000 52339.1131 -109155.0596 300.7936 -161494.1727 -108789.7180 299.8460 -67.3497 -35.2059 762111.0709 -14.7361 -14.6744 PRESSURE: 2760000 -3.18607 -242.968 45.8744 -242.967 -78.5023 111.135 45.8754 111.135 -440.42 GPRESSURE: 2760000 137.033 -236.595 21.6159 -166.528 -170.772 87.3306 24.492 132.976 -391.301 PRESSAVG: 2760000 27.7062 -22.048 44.6427 -22.048 -1.47226 -10.7138 44.6427 -10.7137 18.9895 GPRESSAVG: 2760000 26.9417 -19.5689 43.8235 -23.0757 -1.51411 -9.98526 42.1754 -10.9189 19.72 TIMING: 2760000 CPU: 8795.67, 0.00315981/step Wall: 8795.67, 0.00315981/step, 1.9661 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2760000 4066.9037 20406.4466 14468.7318 258.5629 -203394.3746 2564.7204 0.0000 0.0000 52243.9208 -109385.0884 300.2465 -161629.0092 -109016.6139 299.9368 -174.0362 -141.6799 760383.6926 15.0745 15.0492 PRESSURE: 2760200 -174.138 -70.3127 -37.6076 -70.3146 -323.956 -2.17946 -37.6072 -2.17963 -238.38 GPRESSURE: 2760200 -139.023 27.5892 28.6576 -55.0943 -235.971 2.41422 -109.867 4.04594 -289.781 PRESSAVG: 2760200 11.9742 -1.95438 27.1791 -1.95435 -45.9768 -23.5831 27.1791 -23.583 -3.35066 GPRESSAVG: 2760200 13.1642 -0.0520106 29.2267 -1.71413 -46.6473 -24.5761 27.1602 -24.4081 -3.88697 TIMING: 2760200 CPU: 8796.3, 0.00319566/step Wall: 8796.3, 0.00319566/step, 1.98823 hours remaining, 235.175781 MB of memory in use. ENERGY: 2760200 3966.1704 20551.2642 14470.7294 248.5535 -202971.9507 2604.2668 0.0000 0.0000 51841.6291 -109289.3374 297.9346 -161130.9665 -108923.2625 299.3324 -245.4915 -221.5918 763899.0921 -12.4511 -12.4567 LDB: ============= START OF LOAD BALANCING ============== 8808.73 LDB: ============== END OF LOAD BALANCING =============== 8808.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8808.73 LDB: ============= START OF LOAD BALANCING ============== 8809.05 LDB: Largest compute 7069 load 0.032414 is 16.6% of average load 0.195521 LDB: Average compute 0.004415 is 2.3% of average load 0.195521 LDB: TIME 8809.06 LOAD: AVG 0.195521 MAX 0.220082 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 8809.06 LOAD: AVG 0.195521 MAX 0.220082 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 8809.06 LOAD: AVG 0.195521 MAX 0.217653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 8809.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8809.06 PRESSURE: 2760400 70.898 -103.142 404.978 -103.143 -238.141 -24.9019 404.977 -24.9018 24.04 GPRESSURE: 2760400 85.0386 -114.91 290.051 -127.821 -219.12 -20.6045 367.358 24.4345 55.9761 PRESSAVG: 2760400 8.54782 -9.78741 28.5498 -9.78745 -34.405 49.4849 28.5498 49.4849 4.63031 GPRESSAVG: 2760400 7.43256 -12.1516 27.6776 -9.62118 -33.7794 50.4765 28.6868 51.5049 5.53285 TIMING: 2760400 CPU: 8796.96, 0.00326208/step Wall: 8796.96, 0.00326208/step, 2.02938 hours remaining, 234.261719 MB of memory in use. ENERGY: 2760400 4005.5357 20475.3816 14421.9471 245.9543 -203676.0146 2792.9743 0.0000 0.0000 52243.8576 -109490.3639 300.2462 -161734.2216 -109126.0493 299.5523 -47.7343 -26.0352 762279.4798 -7.0756 -6.9380 PRESSURE: 2760600 37.2416 42.7788 -284.525 42.778 -120.113 -71.1485 -284.525 -71.1481 -21.9746 GPRESSURE: 2760600 -39.4678 76.1202 -274.982 29.7992 40.2736 -16.1489 -182.132 -44.9441 -24.624 PRESSAVG: 2760600 16.7642 -54.414 18.8072 -54.4141 -29.5169 -34.6553 18.8072 -34.6553 18.7528 GPRESSAVG: 2760600 16.2572 -53.8949 17.9277 -56.0037 -29.2086 -35.5844 21.4942 -34.8787 19.2081 TIMING: 2760600 CPU: 8797.59, 0.00318424/step Wall: 8797.59, 0.00318424/step, 1.98077 hours remaining, 234.332031 MB of memory in use. ENERGY: 2760600 4047.4851 20476.0214 14375.7925 260.6913 -203123.3494 2385.1984 0.0000 0.0000 52066.1746 -109511.9860 299.2250 -161578.1606 -109163.9257 299.0943 -34.9485 -7.9394 762044.1086 2.0000 2.0856 PRESSURE: 2760800 -15.6953 69.3091 92.6958 69.3086 -415.81 183.815 92.6963 183.813 -59.1333 GPRESSURE: 2760800 20.4382 13.1789 125.54 -20.5899 -335.473 131.142 64.1546 260.893 -84.7577 PRESSAVG: 2760800 52.2539 3.16496 -12.3104 3.16499 -46.075 2.73312 -12.3104 2.73307 2.97387 GPRESSAVG: 2760800 53.429 1.4266 -11.0028 7.16387 -45.9286 2.99826 -13.8329 2.44444 1.91577 TIMING: 2760800 CPU: 8798.22, 0.0031336/step Wall: 8798.22, 0.0031336/step, 1.9491 hours remaining, 234.332031 MB of memory in use. ENERGY: 2760800 3984.3052 20473.2508 14396.7230 250.4929 -203128.7400 2457.7126 0.0000 0.0000 51974.6624 -109591.5932 298.6991 -161566.2555 -109222.5458 299.4635 -163.5461 -133.2642 762253.1053 3.0509 3.1387 PRESSURE: 2761000 226.028 -118.921 -51.0488 -118.919 321.989 237.483 -51.0483 237.484 210.832 GPRESSURE: 2761000 366.35 -59.1751 -239.348 -60.2953 213.126 206.43 32.664 127.376 279.472 PRESSAVG: 2761000 29.6021 -3.85121 38.0538 -3.85121 -51.8751 20.9412 38.0538 20.9412 9.04305 GPRESSAVG: 2761000 29.9455 -3.29948 35.9688 -5.26678 -52.7525 20.5297 40.7356 21.7095 10.0255 TIMING: 2761000 CPU: 8798.85, 0.00313204/step Wall: 8798.85, 0.00313204/step, 1.94795 hours remaining, 234.332031 MB of memory in use. ENERGY: 2761000 3961.8877 20507.7875 14405.4282 242.3094 -203290.9708 2696.2667 0.0000 0.0000 51941.0061 -109536.2854 298.5057 -161477.2914 -109168.0851 298.9548 252.9493 286.3161 762328.2295 -4.4100 -4.2605 PRESSURE: 2761200 214.844 -155.65 269.842 -155.65 84.364 22.8138 269.842 22.8139 -398.185 GPRESSURE: 2761200 271.717 -12.0054 319.341 -149.981 21.0606 53.0226 245.185 40.7893 -300.645 PRESSAVG: 2761200 41.0629 -37.6593 -40.5706 -37.6593 -37.7099 15.9766 -40.5706 15.9766 -17.8758 GPRESSAVG: 2761200 41.1006 -36.3465 -38.6393 -39.1935 -38.1158 16.9251 -40.9174 12.4574 -17.8546 TIMING: 2761200 CPU: 8799.47, 0.00312247/step Wall: 8799.47, 0.00312247/step, 1.94183 hours remaining, 234.332031 MB of memory in use. ENERGY: 2761200 4088.9375 20585.0492 14415.5512 236.9689 -203132.0487 2343.5175 0.0000 0.0000 52055.4963 -109406.5282 299.1637 -161462.0244 -109056.3532 299.3249 -32.9922 -2.6224 761622.0672 -4.8409 -4.9566 PRESSURE: 2761400 -41.386 190.318 159.532 190.318 31.5013 -189.262 159.531 -189.264 -431.707 GPRESSURE: 2761400 -74.0846 20.3298 54.1725 146.987 191.449 -206.545 135.091 -193.08 -462.704 PRESSAVG: 2761400 48.6016 14.0996 5.93853 14.0996 -34.1831 -62.1374 5.93864 -62.1374 -4.08579 GPRESSAVG: 2761400 48.7332 13.1029 5.20403 16.2021 -34.0249 -61.877 3.88225 -58.8158 -4.71206 TIMING: 2761400 CPU: 8800.1, 0.00313974/step Wall: 8800.1, 0.00313974/step, 1.9524 hours remaining, 234.332031 MB of memory in use. ENERGY: 2761400 4040.3813 20480.6668 14475.9170 223.9232 -202895.9814 2211.7867 0.0000 0.0000 52399.6973 -109063.6090 301.1418 -161463.3063 -108685.5248 300.2120 -147.1972 -115.1129 762303.3652 3.4442 3.3321 PRESSURE: 2761600 37.7497 -264.999 91.2053 -264.999 83.4248 53.6258 91.2067 53.6266 272.985 GPRESSURE: 2761600 -8.07081 -184.017 56.1752 -208.408 143.349 51.563 101.966 117.073 329.332 PRESSAVG: 2761600 1.88111 51.0857 26.2883 51.0857 -31.6509 -9.76989 26.2882 -9.7699 1.80732 GPRESSAVG: 2761600 -0.181601 51.1492 26.8024 50.8934 -29.577 -8.87065 25.6845 -11.415 1.54587 TIMING: 2761600 CPU: 8800.72, 0.00312195/step Wall: 8800.72, 0.00312195/step, 1.94116 hours remaining, 234.332031 MB of memory in use. ENERGY: 2761600 4004.3174 20479.9781 14403.4223 236.9824 -203344.1742 2556.3377 0.0000 0.0000 52478.3760 -109184.7602 301.5939 -161663.1362 -108812.4640 299.8819 131.3866 154.8702 760365.9563 -9.3208 -9.4043 PRESSURE: 2761800 107.276 261.187 192.794 261.187 -147.882 171.726 192.794 171.725 -300.736 GPRESSURE: 2761800 218.976 255.968 176.004 137.435 -214.417 180.21 126.27 107.567 -265.185 PRESSAVG: 2761800 38.2835 -31.5599 22.1079 -31.5599 -17.637 -79.737 22.1078 -79.737 23.9662 GPRESSAVG: 2761800 40.5551 -31.0723 22.7523 -34.1445 -20.776 -80.3748 21.9736 -80.2283 24.5745 TIMING: 2761800 CPU: 8801.35, 0.00312064/step Wall: 8801.35, 0.00312064/step, 1.94017 hours remaining, 234.332031 MB of memory in use. ENERGY: 2761800 4019.2152 20682.9207 14373.6451 256.9074 -203281.8380 2416.7980 0.0000 0.0000 52270.7616 -109261.5900 300.4008 -161532.3515 -108893.2179 300.3229 -113.7804 -86.8756 758826.0181 14.8709 14.7845 PRESSURE: 2762000 8.15077 57.5509 -52.2902 57.5509 58.6898 -57.2911 -52.2901 -57.2917 -376.319 GPRESSURE: 2762000 -81.4883 19.4451 -60.8845 -144.709 96.1799 -110.894 -58.594 -181.953 -240.004 PRESSAVG: 2762000 29.6383 -2.57467 -23.5433 -2.57463 -3.34526 -47.0144 -23.5432 -47.0144 -26.7913 GPRESSAVG: 2762000 28.8349 -2.05368 -23.6981 -1.55036 -2.17225 -48.2636 -24.7249 -45.6596 -27.5157 TIMING: 2762000 CPU: 8801.97, 0.00313542/step Wall: 8801.97, 0.00313542/step, 1.94918 hours remaining, 234.332031 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: 2762000 4001.9053 20641.9826 14418.6850 224.0067 -203127.4051 2460.2075 0.0000 0.0000 51851.3914 -109529.2266 297.9907 -161380.6180 -109162.9338 300.0240 -103.1596 -75.1041 760670.2179 -0.1661 -0.2843 PRESSURE: 2762200 -297.941 157.136 42.3905 157.137 -90.2217 110.588 42.3894 110.588 298.345 GPRESSURE: 2762200 -132.725 105.911 150.639 199.426 -158.065 136.563 16.3943 223.49 300.746 PRESSAVG: 2762200 42.5389 -7.89181 -35.1972 -7.89181 -1.46876 -22.0595 -35.1973 -22.0596 7.45668 GPRESSAVG: 2762200 42.8496 -9.29951 -35.561 -8.06679 -2.1583 -20.1866 -33.5915 -20.4562 7.9641 TIMING: 2762200 CPU: 8802.6, 0.00313925/step Wall: 8802.6, 0.00313925/step, 1.95139 hours remaining, 234.332031 MB of memory in use. ENERGY: 2762200 3984.3587 20628.8620 14461.3960 256.5251 -203884.5570 2710.2049 0.0000 0.0000 52273.9966 -109569.2138 300.4194 -161843.2104 -109223.2224 299.2610 -29.9393 3.3187 759909.5427 16.1756 16.2185 PRESSURE: 2762400 -11.7714 -86.8999 -65.4131 -86.9001 -122.042 74.6753 -65.4142 74.6747 -261.471 GPRESSURE: 2762400 61.1881 -85.1712 -87.3606 -150.136 -112.446 96.715 -55.0599 111.823 -259.04 PRESSAVG: 2762400 -12.4911 -5.94285 5.17576 -5.94296 4.29276 -30.0065 5.17579 -30.0066 -1.96109 GPRESSAVG: 2762400 -11.5565 -4.49216 4.05256 -5.72945 3.38296 -30.6593 6.69969 -31.135 -1.6186 TIMING: 2762400 CPU: 8803.23, 0.00313812/step Wall: 8803.23, 0.00313812/step, 1.95052 hours remaining, 234.332031 MB of memory in use. ENERGY: 2762400 4055.3923 20642.5831 14463.9904 245.1417 -203941.5245 2603.6554 0.0000 0.0000 52181.0027 -109749.7588 299.8849 -161930.7616 -109381.7419 299.8149 -131.7615 -103.4325 760013.3336 -3.3865 -3.2640 PRESSURE: 2762600 136.008 -64.9604 60.1766 -64.9611 -226.403 -16.4675 60.1771 -16.4669 -407.988 GPRESSURE: 2762600 79.0412 5.64419 108.671 -84.3407 -150.027 40.6632 0.174957 -69.6103 -339.881 PRESSAVG: 2762600 -6.7449 10.7627 -3.39698 10.7628 39.6688 -55.212 -3.39697 -55.2119 -8.24228 GPRESSAVG: 2762600 -8.67839 11.1568 -1.22022 9.6276 41.7899 -54.2266 -5.87485 -57.2837 -8.78165 TIMING: 2762600 CPU: 8803.86, 0.00313007/step Wall: 8803.86, 0.00313007/step, 1.94534 hours remaining, 234.332031 MB of memory in use. ENERGY: 2762600 4012.7133 20425.0835 14412.6885 245.3701 -203393.6910 2343.6887 0.0000 0.0000 52178.4068 -109775.7402 299.8700 -161954.1469 -109405.2899 299.8195 -166.1281 -136.9558 760258.6997 8.2272 8.1099 PRESSURE: 2762800 -41.9806 -79.5199 -61.102 -79.5188 178.316 -66.7993 -61.1021 -66.7988 -224.773 GPRESSURE: 2762800 59.6543 -102.462 -137.444 -42.91 237.808 -37.3407 38.5227 -101.346 -314.402 PRESSAVG: 2762800 -17.7897 -53.4711 -6.68995 -53.4712 23.7313 7.77061 -6.69 7.77061 -26.6171 GPRESSAVG: 2762800 -17.4288 -55.0509 -8.89931 -51.4692 24.0366 6.64104 -4.7956 8.5115 -27.4763 TIMING: 2762800 CPU: 8804.48, 0.00312349/step Wall: 8804.48, 0.00312349/step, 1.94107 hours remaining, 234.332031 MB of memory in use. ENERGY: 2762800 4032.6041 20585.8887 14413.0296 267.2816 -203905.8291 2861.9918 0.0000 0.0000 51950.0105 -109795.0229 298.5574 -161745.0333 -109435.8306 299.0886 -29.4792 -5.6464 761694.1368 -6.8918 -6.9562 PRESSURE: 2763000 -115.98 -74.6424 75.1295 -74.6422 -147.022 103.123 75.1285 103.124 -469.373 GPRESSURE: 2763000 -147.348 -210.304 80.2306 -40.392 -42.7862 137.466 98.3209 78.3335 -447.902 PRESSAVG: 2763000 46.6793 -27.3092 -40.83 -27.3091 -24.7844 -19.3808 -40.83 -19.3808 -27.2185 GPRESSAVG: 2763000 47.567 -26.4927 -38.9885 -27.4054 -26.3761 -19.1427 -41.4341 -17.697 -26.8783 TIMING: 2763000 CPU: 8805.11, 0.00313116/step Wall: 8805.11, 0.00313116/step, 1.94567 hours remaining, 234.332031 MB of memory in use. ENERGY: 2763000 4060.7130 20511.0905 14350.0567 273.4349 -203619.2304 2526.2517 0.0000 0.0000 52184.9664 -109712.7171 299.9077 -161897.6835 -109338.8745 299.0102 -244.1249 -212.6787 761732.1169 -1.7745 -1.8958 PRESSURE: 2763200 -42.5506 -323.089 -83.9436 -323.09 -313.784 -99.9102 -83.9438 -99.9106 47.7981 GPRESSURE: 2763200 -63.7708 -302.752 -111.41 -234.401 -227.506 -137.524 -36.7227 -192.274 89.6247 PRESSAVG: 2763200 14.3258 24.124 -5.75954 24.124 20.4451 36.4469 -5.75951 36.447 -13.6528 GPRESSAVG: 2763200 12.6003 23.3723 -6.69939 23.9017 20.6274 36.8455 -6.18759 32.9577 -11.9634 TIMING: 2763200 CPU: 8805.73, 0.00310543/step Wall: 8805.73, 0.00310543/step, 1.92951 hours remaining, 234.332031 MB of memory in use. ENERGY: 2763200 3975.1900 20642.7247 14366.7118 245.7641 -203714.7027 2614.7025 0.0000 0.0000 52037.4872 -109832.1225 299.0602 -161869.6097 -109467.9703 299.2255 -102.8456 -67.2173 761371.1142 7.0394 7.0881 PRESSURE: 2763400 -344.93 -123.589 -93.4578 -123.589 -181.664 -24.5782 -93.4568 -24.5786 117.082 GPRESSURE: 2763400 -304.148 -60.4561 -18.4254 -104.822 -166.94 -1.42093 31.4934 -2.80704 152.561 PRESSAVG: 2763400 -50.7261 -9.62435 -8.5809 -9.62437 69.7737 -23.5998 -8.58092 -23.5999 -10.7801 GPRESSAVG: 2763400 -50.6066 -9.03428 -9.43647 -8.78067 70.9449 -23.8465 -7.81632 -21.0839 -12.4823 TIMING: 2763400 CPU: 8806.35, 0.00311078/step Wall: 8806.35, 0.00311078/step, 1.93266 hours remaining, 234.332031 MB of memory in use. ENERGY: 2763400 4023.9202 20573.9638 14399.6700 256.6763 -203469.6485 2449.0466 0.0000 0.0000 51937.6975 -109828.6741 298.4867 -161766.3716 -109459.9390 298.4774 -136.5037 -106.1755 761566.8117 2.7558 2.6187 PRESSURE: 2763600 -274.808 27.1869 240.037 27.1867 -534.525 -93.1704 240.037 -93.1703 19.1278 GPRESSURE: 2763600 -245.675 145.066 269.206 -67.1289 -509.143 -113.689 87.6387 -159.091 50.4664 PRESSAVG: 2763600 31.9845 -16.0342 31.0183 -16.0342 -31.9102 -33.8748 31.0182 -33.8748 18.2492 GPRESSAVG: 2763600 32.2654 -14.5766 31.562 -18.1221 -33.326 -33.5419 31.4963 -34.848 18.8271 TIMING: 2763600 CPU: 8806.97, 0.00311358/step Wall: 8806.97, 0.00311358/step, 1.93423 hours remaining, 234.332031 MB of memory in use. ENERGY: 2763600 3998.5148 20511.1427 14416.1125 257.0990 -203761.6685 2503.7860 0.0000 0.0000 52054.1929 -110020.8207 299.1562 -162075.0136 -109661.5166 298.7956 -263.4019 -234.7841 760683.0934 6.1078 5.9221 PRESSURE: 2763800 160.165 -61.2157 -127.24 -61.2163 126.769 160.662 -127.239 160.662 239.868 GPRESSURE: 2763800 130.401 -137.165 -93.4488 -2.1531 225.897 107.178 -36.5792 205.658 246.971 PRESSAVG: 2763800 30.4222 -13.0629 6.32791 -13.0629 -44.9133 -12.1786 6.32787 -12.1787 4.93272 GPRESSAVG: 2763800 30.0299 -15.5216 6.43085 -13.0901 -45.3571 -11.1907 4.72928 -12.9717 6.27228 TIMING: 2763800 CPU: 8807.6, 0.00315271/step Wall: 8807.6, 0.00315271/step, 1.95836 hours remaining, 234.332031 MB of memory in use. ENERGY: 2763800 4033.1511 20623.4790 14413.5917 247.1948 -203929.2639 2828.2319 0.0000 0.0000 52035.1225 -109748.4928 299.0466 -161783.6153 -109389.2188 298.3542 175.6009 201.0896 759985.7924 -3.1861 -3.0183 PRESSURE: 2764000 -299.829 89.0991 65.3188 89.0996 -137.174 148.576 65.3183 148.576 -308.724 GPRESSURE: 2764000 -320.379 211.542 -16.227 161.316 -55.887 141.198 18.4756 53.4559 -277.206 PRESSAVG: 2764000 69.2761 40.2164 -50.7191 40.2164 -12.7029 19.4073 -50.7191 19.4073 -16.1901 GPRESSAVG: 2764000 68.202 42.1457 -50.3911 44.572 -11.2232 17.9519 -51.1766 21.6995 -16.3273 TIMING: 2764000 CPU: 8808.23, 0.00315102/step Wall: 8808.23, 0.00315102/step, 1.95713 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2764000 4041.1662 20580.9976 14465.0401 251.3474 -203369.2711 2319.8132 0.0000 0.0000 51957.1061 -109753.8003 298.5982 -161710.9065 -109392.2064 299.0864 -248.5756 -217.8238 760357.4599 13.4610 13.5505 PRESSURE: 2764200 71.0589 -183.201 -128.954 -183.201 359.856 284.885 -128.955 284.885 -120.373 GPRESSURE: 2764200 164.181 -167.966 -106.053 -173.59 333.564 296.442 -63.1292 287.515 -130.414 PRESSAVG: 2764200 4.41377 20.2218 -29.0838 20.2217 16.7251 2.05824 -29.0838 2.05821 -1.04136 GPRESSAVG: 2764200 6.03821 17.7595 -29.8529 17.4072 15.0313 1.18526 -26.7105 1.87265 -1.11867 TIMING: 2764200 CPU: 8808.86, 0.0031368/step Wall: 8808.86, 0.0031368/step, 1.94812 hours remaining, 234.535156 MB of memory in use. ENERGY: 2764200 3980.7574 20566.7580 14389.1931 271.5938 -203556.3077 2474.7054 0.0000 0.0000 52152.0318 -109721.2684 299.7184 -161873.3002 -109359.5002 298.8162 103.5140 122.4435 760168.8293 6.6992 6.6503 LDB: ============= START OF LOAD BALANCING ============== 8821.28 LDB: ============== END OF LOAD BALANCING =============== 8821.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8821.28 LDB: ============= START OF LOAD BALANCING ============== 8821.59 LDB: Largest compute 7034 load 0.030513 is 15.6% of average load 0.195475 LDB: Average compute 0.004378 is 2.2% of average load 0.195475 LDB: TIME 8821.6 LOAD: AVG 0.195475 MAX 0.218647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 8821.6 LOAD: AVG 0.195475 MAX 0.218647 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: TIME 8821.6 LOAD: AVG 0.195475 MAX 0.216277 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: ============== END OF LOAD BALANCING =============== 8821.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8821.61 PRESSURE: 2764400 52.1326 -39.493 72.6012 -39.4933 -408.477 -66.5929 72.6005 -66.5945 -176.543 GPRESSURE: 2764400 49.8304 63.531 56.3529 -47.967 -356.007 -14.8885 -9.84409 -35.7055 -145.098 PRESSAVG: 2764400 -7.30723 17.637 54.1668 17.637 25.7925 23.0982 54.1667 23.0982 -9.26375 GPRESSAVG: 2764400 -7.26097 20.0563 54.9725 18.5017 25.9266 24.9696 52.7475 21.0815 -9.62516 TIMING: 2764400 CPU: 8809.5, 0.00319632/step Wall: 8809.5, 0.00319632/step, 1.98491 hours remaining, 233.035156 MB of memory in use. ENERGY: 2764400 3980.9605 20623.7030 14421.9575 256.0004 -203413.1891 2470.6608 0.0000 0.0000 52210.5289 -109449.3782 300.0546 -161659.9070 -109083.2030 299.6025 -177.6290 -150.4249 760436.4551 3.0738 3.0135 PRESSURE: 2764600 106.63 -56.3885 -285.371 -56.3876 -76.2855 227.927 -285.371 227.928 -195.723 GPRESSURE: 2764600 148.083 -50.4526 -155.045 -60.3136 -122.303 245.664 -435.628 94.8019 -98.4334 PRESSAVG: 2764600 47.1179 35.1709 -20.8424 35.1708 -80.9 0.0540515 -20.8425 0.0539526 -15.5894 GPRESSAVG: 2764600 46.3705 33.1852 -22.1498 35.1396 -80.1492 -1.19765 -17.7878 0.0652567 -15.4878 TIMING: 2764600 CPU: 8810.12, 0.00310387/step Wall: 8810.12, 0.00310387/step, 1.92733 hours remaining, 233.238281 MB of memory in use. ENERGY: 2764600 4032.0892 20682.5561 14468.9949 254.7090 -203228.0355 2638.2108 0.0000 0.0000 51959.2784 -109192.1970 298.6107 -161151.4755 -108823.0909 299.9314 -55.1262 -24.2179 763078.1461 -16.4571 -16.4222 PRESSURE: 2764800 191.783 -259.044 58.9364 -259.044 362.134 73.3894 58.9367 73.3897 122.735 GPRESSURE: 2764800 265.148 -119.744 69.9233 -267.724 305.034 120.698 -51.6443 -39.6511 199.936 PRESSAVG: 2764800 2.9315 2.57175 -15.9875 2.57176 -22.0113 3.50387 -15.9875 3.50379 7.06149 GPRESSAVG: 2764800 3.42279 4.572 -15.3285 -0.462871 -21.5615 5.2049 -18.8264 4.2949 6.20497 TIMING: 2764800 CPU: 8810.74, 0.00311182/step Wall: 8810.74, 0.00311182/step, 1.93209 hours remaining, 233.238281 MB of memory in use. ENERGY: 2764800 3943.0624 20559.0817 14377.2361 252.8565 -203649.7531 2748.8309 0.0000 0.0000 52314.1990 -109454.4865 300.6504 -161768.6855 -109086.9306 299.9917 225.5509 256.7060 759340.8148 -4.0061 -3.9779 PRESSURE: 2765000 203.052 144.674 95.1373 144.673 -54.3357 -69.0234 95.1377 -69.0225 104.912 GPRESSURE: 2765000 304.365 102.493 38.3735 151.821 -105.134 -54.9056 -118.329 -10.199 132.466 PRESSAVG: 2765000 15.5024 -17.8873 -31.9025 -17.8872 -38.9896 -26.2117 -31.9025 -26.2117 -16.5854 GPRESSAVG: 2765000 15.3022 -18.3679 -32.1154 -14.7576 -39.512 -25.8251 -32.174 -26.1374 -16.539 TIMING: 2765000 CPU: 8811.37, 0.00311136/step Wall: 8811.37, 0.00311136/step, 1.93163 hours remaining, 233.238281 MB of memory in use. ENERGY: 2765000 3933.4371 20772.1981 14423.7055 229.0347 -203579.2407 2766.6290 0.0000 0.0000 52178.1531 -109276.0833 299.8686 -161454.2364 -108922.3765 299.9636 84.5428 110.5656 760383.3807 -13.3575 -13.5830 PRESSURE: 2765200 24.8764 -85.0316 238.086 -85.0311 -20.5644 13.0689 238.086 13.0684 83.533 GPRESSURE: 2765200 1.48516 -127.921 172.277 7.77335 113.526 82.1515 158.432 125.283 46.5848 PRESSAVG: 2765200 23.7092 -34.6411 -48.3659 -34.6411 -43.7513 12.1009 -48.3659 12.1008 11.415 GPRESSAVG: 2765200 23.3325 -34.8529 -48.3714 -35.4957 -43.174 9.9207 -47.7741 13.7864 10.8594 TIMING: 2765200 CPU: 8811.99, 0.00312982/step Wall: 8811.99, 0.00312982/step, 1.94292 hours remaining, 233.238281 MB of memory in use. ENERGY: 2765200 4001.7137 20665.8745 14424.8949 223.5386 -202942.0492 2259.1053 0.0000 0.0000 52024.1292 -109342.7932 298.9834 -161366.9224 -108983.5784 299.9835 29.2817 53.8653 761288.6191 -2.8757 -2.9940 PRESSURE: 2765400 -35.5988 9.20707 -191.256 9.20743 -37.2556 18.1654 -191.256 18.1649 -359.308 GPRESSURE: 2765400 38.4716 33.8562 -154.742 -13.6074 19.7798 96.5579 -221.665 -7.52558 -418.406 PRESSAVG: 2765400 30.8779 -27.1828 36.95 -27.1827 8.18098 -12.9088 36.9499 -12.9088 7.90209 GPRESSAVG: 2765400 29.6798 -26.0195 35.7416 -26.9016 7.42079 -11.3213 36.7739 -14.9915 9.93572 TIMING: 2765400 CPU: 8812.62, 0.00312647/step Wall: 8812.62, 0.00312647/step, 1.94067 hours remaining, 233.238281 MB of memory in use. ENERGY: 2765400 3980.2911 20714.4906 14468.8169 253.2095 -203307.7868 2509.4799 0.0000 0.0000 52237.2520 -109144.2469 300.2082 -161381.4989 -108772.2676 299.9414 -144.0541 -120.0514 760327.9198 15.6537 15.6788 PRESSURE: 2765600 -262.786 52.9898 -4.41736 52.9897 -286.001 146.138 -4.41624 146.137 -496.346 GPRESSURE: 2765600 -207.526 48.3724 5.58813 -111.474 -261.274 18.0389 -74.858 126.93 -474.303 PRESSAVG: 2765600 8.22335 -14.4323 -18.5716 -14.4323 21.5147 -0.574323 -18.5717 -0.574286 11.4981 GPRESSAVG: 2765600 10.8062 -14.963 -18.1122 -16.8646 20.5353 -0.727145 -17.1639 -0.985146 10.1827 TIMING: 2765600 CPU: 8813.25, 0.0031524/step Wall: 8813.25, 0.0031524/step, 1.95659 hours remaining, 233.238281 MB of memory in use. ENERGY: 2765600 4051.2852 20841.2419 14436.7203 247.1515 -203236.9189 2635.7763 0.0000 0.0000 51927.0415 -109097.7023 298.4254 -161024.7438 -108754.8005 300.9702 -348.3777 -314.3679 760943.3672 13.7454 13.8414 PRESSURE: 2765800 -443.251 6.44098 -121.418 6.4405 203.479 87.024 -121.418 87.0245 -163.708 GPRESSURE: 2765800 -340.155 38.1236 12.3297 43.0972 232.806 1.97961 -6.05759 65.6042 -220.508 PRESSAVG: 2765800 29.0895 -5.72758 17.4516 -5.72765 -24.7115 -48.1793 17.4516 -48.1793 -3.2537 GPRESSAVG: 2765800 28.5927 -5.28068 17.7195 -2.83125 -24.4157 -49.1478 17.5791 -48.017 -3.04698 TIMING: 2765800 CPU: 8813.87, 0.00313178/step Wall: 8813.87, 0.00313178/step, 1.94362 hours remaining, 233.238281 MB of memory in use. ENERGY: 2765800 4041.6846 20651.5794 14410.5668 241.6111 -202799.6539 2257.5848 0.0000 0.0000 52124.5638 -109072.0635 299.5606 -161196.6273 -108707.5006 300.5060 -134.4933 -109.2858 760668.8317 0.3748 0.3767 PRESSURE: 2766000 -131.986 -98.3074 -11.0983 -98.3076 -6.6314 -92.9659 -11.0981 -92.9674 84.0291 GPRESSURE: 2766000 -33.7096 -69.1125 17.231 -3.43017 2.45808 -71.1454 -42.0433 -132.501 76.0848 PRESSAVG: 2766000 68.9544 -35.5496 -5.68889 -35.5496 -77.2127 7.1986 -5.68891 7.19853 0.613517 GPRESSAVG: 2766000 68.1556 -36.2866 -6.40175 -37.2821 -76.6359 8.77145 -5.99808 6.62782 0.721756 TIMING: 2766000 CPU: 8814.5, 0.00310631/step Wall: 8814.5, 0.00310631/step, 1.92764 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2766000 4066.7940 20523.8662 14431.1842 261.4374 -203060.9462 2593.7551 0.0000 0.0000 52018.3020 -109165.6073 298.9499 -161183.9093 -108807.1318 300.4416 -18.1960 14.9444 762604.8808 -2.5483 -2.5862 PRESSURE: 2766200 -141.17 41.7005 -40.9019 41.7008 -57.7695 -155.373 -40.9019 -155.373 184.733 GPRESSURE: 2766200 -77.5168 103.138 -85.7259 -152.458 -3.58667 -127.54 -141.284 -246.13 139.153 PRESSAVG: 2766200 2.69315 -45.8274 -44.7009 -45.8274 -52.5676 -53.3249 -44.7009 -53.3249 16.6599 GPRESSAVG: 2766200 2.97921 -45.2951 -44.4681 -45.0685 -53.1243 -53.4773 -44.2559 -54.1504 16.7488 TIMING: 2766200 CPU: 8815.12, 0.00311217/step Wall: 8815.12, 0.00311217/step, 1.9311 hours remaining, 233.238281 MB of memory in use. ENERGY: 2766200 4079.1966 20547.8233 14432.1257 233.1914 -203255.4573 2423.0196 0.0000 0.0000 52406.0294 -109134.0713 301.1782 -161540.1007 -108767.0230 300.1554 -4.7355 19.3498 761093.1465 -11.0715 -11.1321 PRESSURE: 2766400 -192.139 -75.17 73.9223 -75.1698 -166.423 79.5249 73.9221 79.5247 -384.384 GPRESSURE: 2766400 -249.685 -164.372 62.9147 -81.4654 -57.8391 59.0423 -10.0808 -2.65 -341.24 PRESSAVG: 2766400 -7.6355 11.6687 -0.386386 11.6686 3.08256 -9.31351 -0.386451 -9.31342 -9.68774 GPRESSAVG: 2766400 -7.32885 10.2734 -0.0474273 10.933 3.69371 -10.1586 0.0680067 -9.0308 -10.2357 TIMING: 2766400 CPU: 8815.74, 0.00310786/step Wall: 8815.74, 0.00310786/step, 1.92825 hours remaining, 233.238281 MB of memory in use. ENERGY: 2766400 3974.0492 20585.3839 14440.9366 249.0909 -203022.2246 2385.3452 0.0000 0.0000 52580.1728 -108807.2462 302.1790 -161387.4189 -108444.6690 300.7422 -247.6486 -216.2548 761756.4433 -4.7469 -4.6236 PRESSURE: 2766600 113.242 53.1878 57.5963 53.1886 307.797 92.4266 57.5963 92.4274 240.712 GPRESSURE: 2766600 223.06 -13.0096 75.5217 102.869 300.426 112.446 39.2569 54.6727 211.42 PRESSAVG: 2766600 -43.8193 25.7983 -5.47092 25.7983 35.8834 25.5129 -5.47091 25.5128 12.6562 GPRESSAVG: 2766600 -44.6641 25.9039 -4.47934 25.9732 35.7148 25.0916 -6.73761 25.8043 13.8268 TIMING: 2766600 CPU: 8816.37, 0.00314179/step Wall: 8816.37, 0.00314179/step, 1.94913 hours remaining, 233.238281 MB of memory in use. ENERGY: 2766600 3934.0389 20738.7767 14445.9740 252.3764 -203347.8359 2744.6447 0.0000 0.0000 52418.0786 -108813.9466 301.2474 -161232.0253 -108449.8352 301.4097 220.5840 244.9689 761388.3055 1.5734 1.6258 PRESSURE: 2766800 -118.395 -12.5673 -184.598 -12.5675 298.381 -179.209 -184.598 -179.209 191.451 GPRESSURE: 2766800 -70.1183 -26.1537 -191.684 54.9451 256.712 -120.657 18.2672 -102.334 265.853 PRESSAVG: 2766800 -22.0042 19.0369 43.2238 19.0369 -3.03699 -36.4006 43.2239 -36.4006 -12.5943 GPRESSAVG: 2766800 -20.6054 19.8224 41.1213 17.6192 -4.29075 -35.6311 43.1791 -36.4883 -12.7179 TIMING: 2766800 CPU: 8816.99, 0.00313549/step Wall: 8816.99, 0.00313549/step, 1.94505 hours remaining, 233.238281 MB of memory in use. ENERGY: 2766800 3957.8701 20730.1114 14476.4169 247.6075 -203597.8709 3079.0493 0.0000 0.0000 52105.0449 -109001.7707 299.4484 -161106.8157 -108630.2731 300.8030 123.8123 150.8155 761840.0360 -12.5452 -12.5380 PRESSURE: 2767000 -291.57 56.9279 -74.7838 56.9268 -56.4988 -192.719 -74.7841 -192.719 -355.415 GPRESSURE: 2767000 -303.455 67.6407 -24.2291 103.365 13.0667 -131.265 -140.418 -153.818 -322.815 PRESSAVG: 2767000 -20.6358 29.7745 -32.1604 29.7745 110.808 60.4256 -32.1605 60.4257 15.1745 GPRESSAVG: 2767000 -20.7956 31.8238 -31.396 32.1563 111.395 59.4743 -32.117 62.1662 15.2254 TIMING: 2767000 CPU: 8817.62, 0.00311075/step Wall: 8817.62, 0.00311075/step, 1.92953 hours remaining, 233.238281 MB of memory in use. ENERGY: 2767000 3997.1314 20580.7997 14443.7228 245.3174 -203439.2949 2622.6710 0.0000 0.0000 52417.1245 -109132.5282 301.2419 -161549.6527 -108764.3079 300.7087 -234.4946 -204.4012 761184.7535 35.1154 35.2751 PRESSURE: 2767200 175.265 2.12442 -16.8466 2.12443 -175.774 184.966 -16.8472 184.966 -308.066 GPRESSURE: 2767200 168.299 194.783 63.3426 -122.521 -192.113 37.2975 89.0942 280.68 -206.149 PRESSAVG: 2767200 4.36683 67.928 -25.4058 67.928 15.5589 -17.8482 -25.4059 -17.8482 2.80822 GPRESSAVG: 2767200 4.17395 66.7974 -25.4234 68.5513 15.4014 -17.1083 -25.5819 -17.0971 3.08622 TIMING: 2767200 CPU: 8818.24, 0.00312371/step Wall: 8818.24, 0.00312371/step, 1.93739 hours remaining, 233.238281 MB of memory in use. ENERGY: 2767200 3985.6651 20712.2606 14471.6056 270.4777 -203228.8546 2557.5256 0.0000 0.0000 52192.3162 -109039.0037 299.9500 -161231.3199 -108686.3676 300.6990 -102.8584 -76.6545 762439.9057 7.5780 7.5538 PRESSURE: 2767400 35.4844 -71.8291 17.9781 -71.8278 -95.1487 -106.209 17.9776 -106.208 179.306 GPRESSURE: 2767400 50.2313 -133.12 -12.2466 32.7117 20.024 -49.3813 28.1564 -133.75 126.097 PRESSAVG: 2767400 35.6464 4.20465 9.5229 4.20468 -29.8312 3.74903 9.52294 3.74904 -33.5992 GPRESSAVG: 2767400 36.1681 3.92395 10.3731 2.04405 -29.4472 4.44446 9.89762 3.56458 -35.1386 TIMING: 2767400 CPU: 8818.86, 0.00311377/step Wall: 8818.86, 0.00311377/step, 1.93106 hours remaining, 233.238281 MB of memory in use. ENERGY: 2767400 4011.0341 20633.6797 14486.3202 260.6530 -203116.0125 2541.2853 0.0000 0.0000 52219.7992 -108963.2410 300.1079 -161183.0401 -108595.8926 300.3699 39.8805 65.4507 762305.1356 -9.2613 -9.4726 PRESSURE: 2767600 68.6653 185.087 161.868 185.086 -90.5613 -74.74 161.869 -74.7406 1.87628 GPRESSURE: 2767600 104.783 168.918 199.965 250.311 20.4318 -49.0159 178.567 19.4904 -63.258 PRESSAVG: 2767600 12.27 76.0345 -25.581 76.0345 -24.6737 38.6181 -25.581 38.618 19.6073 GPRESSAVG: 2767600 10.7874 75.4584 -24.8361 77.1851 -23.5404 39.4561 -27.5166 34.7352 20.0656 TIMING: 2767600 CPU: 8819.49, 0.00314334/step Wall: 8819.49, 0.00314334/step, 1.94922 hours remaining, 233.238281 MB of memory in use. ENERGY: 2767600 3982.8248 20643.5346 14424.6584 224.3141 -203003.2871 2400.2113 0.0000 0.0000 52209.2676 -109118.4763 300.0474 -161327.7439 -108750.8130 299.9447 -6.6733 20.6522 762034.0120 2.4012 2.4375 PRESSURE: 2767800 56.0892 -102.335 -34.2476 -102.334 53.4408 -106.164 -34.2482 -106.164 148.808 GPRESSURE: 2767800 67.9818 -64.2994 -44.5957 -109.595 77.7577 -144.218 -48.7453 -71.4645 197.774 PRESSAVG: 2767800 -24.6581 -4.42466 23.8506 -4.42466 28.3407 12.1892 23.8506 12.1892 16.9257 GPRESSAVG: 2767800 -24.3677 -2.18034 23.0273 -5.93894 26.0765 8.91339 23.7659 14.8952 18.6843 TIMING: 2767800 CPU: 8820.12, 0.00312796/step Wall: 8820.12, 0.00312796/step, 1.93951 hours remaining, 233.238281 MB of memory in use. ENERGY: 2767800 3950.9645 20493.4660 14363.7670 247.6373 -203126.3244 2511.3646 0.0000 0.0000 52364.6024 -109194.5226 300.9401 -161559.1250 -108837.7858 299.9951 86.1126 114.5046 761178.9040 6.8695 6.7977 PRESSURE: 2768000 -100.057 -51.1891 -35.3277 -51.1885 500.608 111.343 -35.3272 111.343 90.5911 GPRESSURE: 2768000 -45.3827 -25.9576 -12.2807 -150.971 489.06 78.3345 -113.23 114.691 124.862 PRESSAVG: 2768000 -30.1897 -2.79288 31.2305 -2.79291 25.0229 44.8214 31.2305 44.8213 -6.29119 GPRESSAVG: 2768000 -30.2195 -4.04019 31.3978 -2.34508 25.5658 45.5838 32.1737 43.0132 -7.10638 TIMING: 2768000 CPU: 8820.74, 0.00311363/step Wall: 8820.74, 0.00311363/step, 1.93045 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2768000 3960.8826 20622.0015 14439.0219 236.5743 -203667.8568 2957.1753 0.0000 0.0000 52236.2390 -109215.9622 300.2024 -161452.2012 -108849.2304 299.6613 163.7143 189.5133 761944.7773 -3.8193 -3.9200 PRESSURE: 2768200 156.324 191.532 -332.539 191.533 -538.702 24.8449 -332.539 24.8462 -23.3079 GPRESSURE: 2768200 113.407 203.135 -389.836 176.83 -365.647 61.974 -244.904 42.3338 -57.0344 PRESSAVG: 2768200 -61.2796 -20.7787 7.65902 -20.7786 19.0232 57.27 7.65905 57.27 -1.27495 GPRESSAVG: 2768200 -62.3929 -22.1434 6.95655 -19.195 20.8502 57.4359 8.12013 57.0589 -1.06498 TIMING: 2768200 CPU: 8821.37, 0.00313374/step Wall: 8821.37, 0.00313374/step, 1.94274 hours remaining, 233.238281 MB of memory in use. ENERGY: 2768200 4005.1206 20570.4368 14467.5578 250.4228 -203346.2819 2614.6705 0.0000 0.0000 52227.9361 -109210.1373 300.1547 -161438.0734 -108852.5096 299.8216 -135.2287 -103.0915 761354.6816 -14.5105 -14.2026 LDB: ============= START OF LOAD BALANCING ============== 8833.79 LDB: ============== END OF LOAD BALANCING =============== 8833.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8833.79 LDB: ============= START OF LOAD BALANCING ============== 8834.11 LDB: Largest compute 7047 load 0.030623 is 15.7% of average load 0.195445 LDB: Average compute 0.004364 is 2.2% of average load 0.195445 LDB: TIME 8834.11 LOAD: AVG 0.195445 MAX 0.222693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.578 MB LDB: TIME 8834.11 LOAD: AVG 0.195445 MAX 0.222693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: TIME 8834.11 LOAD: AVG 0.195445 MAX 0.215247 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: ============== END OF LOAD BALANCING =============== 8834.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8834.12 PRESSURE: 2768400 168.413 -221.803 169.151 -221.803 -103.832 166.542 169.15 166.541 21.7202 GPRESSURE: 2768400 227.187 -172.449 189.773 -235.656 -62.823 180.188 166.093 129.811 -5.83158 PRESSAVG: 2768400 -35.5801 -50.3792 -16.9931 -50.3792 -13.015 36.4716 -16.9931 36.4716 28.4712 GPRESSAVG: 2768400 -34.4577 -49.5963 -16.6319 -49.6576 -14.9886 36.2456 -16.0632 39.1705 28.9653 TIMING: 2768400 CPU: 8822.02, 0.00323935/step Wall: 8822.02, 0.00323935/step, 2.00803 hours remaining, 233.996094 MB of memory in use. ENERGY: 2768400 3930.6339 20633.5522 14445.3106 256.1362 -203422.5627 2608.4831 0.0000 0.0000 52371.4106 -109177.0361 300.9792 -161548.4467 -108817.8060 300.3789 28.7672 52.8441 761438.8980 -6.7080 -6.8270 PRESSURE: 2768600 109.878 26.2331 35.0121 26.2327 -26.3636 -128.709 35.012 -128.709 186.379 GPRESSURE: 2768600 183.959 -54.6459 108.685 62.5373 108.347 -108.26 -90.6242 -172.34 93.7407 PRESSAVG: 2768600 11.055 -43.6127 0.740289 -43.6128 -39.0765 8.28901 0.740222 8.28903 -20.5026 GPRESSAVG: 2768600 10.9157 -44.7873 0.960251 -43.1934 -38.8254 9.51083 1.80301 6.49412 -20.6051 TIMING: 2768600 CPU: 8822.65, 0.00314481/step Wall: 8822.65, 0.00314482/step, 1.94926 hours remaining, 234.253906 MB of memory in use. ENERGY: 2768600 4019.9892 20411.5652 14436.5689 254.6352 -203304.0832 2719.3756 0.0000 0.0000 52137.1818 -109324.7672 299.6331 -161461.9490 -108953.9383 299.8469 89.9644 128.6823 761256.4988 -16.1747 -16.1716 PRESSURE: 2768800 90.0956 1.6465 32.8098 1.64516 -340.442 -69.2162 32.8102 -69.2158 -177.375 GPRESSURE: 2768800 70.2383 -74.1386 12.1209 57.7467 -226.913 -22.5531 71.0458 -118.249 -186.935 PRESSAVG: 2768800 4.67653 -38.6454 37.8644 -38.6454 -31.6957 3.33184 37.8644 3.33189 -16.9498 GPRESSAVG: 2768800 4.535 -36.7595 37.0754 -39.4211 -30.2188 4.24487 34.79 4.207 -17.8293 TIMING: 2768800 CPU: 8823.27, 0.00314906/step Wall: 8823.27, 0.00314906/step, 1.95172 hours remaining, 234.253906 MB of memory in use. ENERGY: 2768800 3992.1881 20503.5823 14482.8605 256.2204 -203479.9455 2546.9297 0.0000 0.0000 52531.1983 -109166.9662 301.8975 -161698.1645 -108795.6216 299.9219 -142.5739 -114.5367 762340.7448 -14.6563 -14.5044 PRESSURE: 2769000 6.27196 -148.088 -62.7256 -148.088 -135.311 -165.656 -62.7252 -165.656 87.6154 GPRESSURE: 2769000 20.2689 -197.719 21.3705 -180.687 -22.7263 -129.018 -70.0552 -131.337 45.1046 PRESSAVG: 2769000 -18.5911 -16.4599 22.4599 -16.4599 -16.0836 -1.16917 22.4598 -1.16929 20.3241 GPRESSAVG: 2769000 -19.5324 -17.8662 23.2892 -17.552 -15.9635 -3.25168 23.8748 -1.72454 21.144 TIMING: 2769000 CPU: 8823.91, 0.00315332/step Wall: 8823.91, 0.00315332/step, 1.95418 hours remaining, 234.253906 MB of memory in use. ENERGY: 2769000 3992.6149 20404.8348 14495.2210 240.9706 -203172.0389 2549.2502 0.0000 0.0000 52201.2596 -109287.8878 300.0014 -161489.1474 -108923.9495 299.8348 -13.8077 14.2157 762814.7505 -4.7835 -4.7840 PRESSURE: 2769200 128.263 187.542 -8.05534 187.542 71.7379 137.678 -8.05576 137.677 -140.236 GPRESSURE: 2769200 161.505 159.151 -42.0283 123.834 79.3263 130.583 41.1089 107.863 -111.633 PRESSAVG: 2769200 4.44106 -24.1973 25.8011 -24.1973 -15.8092 45.2712 25.8011 45.2712 15.4837 GPRESSAVG: 2769200 5.13542 -24.4167 24.3469 -24.2814 -16.291 45.9208 25.5416 45.7482 15.2302 TIMING: 2769200 CPU: 8824.54, 0.00315154/step Wall: 8824.54, 0.00315154/step, 1.9529 hours remaining, 234.253906 MB of memory in use. ENERGY: 2769200 3964.0752 20838.8662 14408.7765 249.4467 -202968.5960 2625.2944 0.0000 0.0000 51956.3539 -108925.7830 298.5939 -160882.1369 -108564.3520 299.7288 19.9215 43.0662 761315.3233 1.3719 1.3582 PRESSURE: 2769400 84.6653 -148.082 -91.5104 -148.082 127.171 -38.9001 -91.5103 -38.8998 210.889 GPRESSURE: 2769400 156.407 -253.367 -142.149 -248.493 92.4727 -63.9669 -78.4993 -133.873 250.196 PRESSAVG: 2769400 -48.8821 -45.776 12.2296 -45.776 41.5604 37.7088 12.2296 37.7087 8.14128 GPRESSAVG: 2769400 -47.6582 -45.0417 14.1926 -44.8899 40.9395 37.6218 12.6125 37.7735 7.8245 TIMING: 2769400 CPU: 8825.17, 0.00314962/step Wall: 8825.17, 0.00314962/step, 1.95154 hours remaining, 234.253906 MB of memory in use. ENERGY: 2769400 3980.2208 20593.5597 14419.5670 247.8661 -202988.3340 2648.2248 0.0000 0.0000 52182.8763 -108916.0194 299.8957 -161098.8957 -108563.7808 300.2399 140.9086 166.3587 763028.5855 0.2732 0.3686 PRESSURE: 2769600 -76.3542 -8.38238 11.7051 -8.38191 219.208 124.502 11.705 124.501 -66.9139 GPRESSURE: 2769600 -35.1099 48.7915 33.6595 -18.6161 265.28 38.9687 -40.6968 -3.7183 -44.1071 PRESSAVG: 2769600 -20.4225 -34.6918 11.4664 -34.6918 -13.4406 80.6388 11.4665 80.6388 9.60884 GPRESSAVG: 2769600 -20.8669 -34.172 11.6311 -36.2634 -13.0123 80.3279 10.9755 79.6152 9.34576 TIMING: 2769600 CPU: 8825.8, 0.0031537/step Wall: 8825.8, 0.00315371/step, 1.9539 hours remaining, 234.253906 MB of memory in use. ENERGY: 2769600 3986.8166 20515.9818 14426.1014 262.4819 -202679.9805 2524.3073 0.0000 0.0000 51996.1999 -108968.0917 298.8229 -160964.2915 -108610.5747 300.1496 25.3132 62.0209 759838.4819 -8.0848 -8.1778 PRESSURE: 2769800 -393.802 170.666 -208.281 170.666 -100.302 -56.7033 -208.28 -56.7033 10.8334 GPRESSURE: 2769800 -370.557 20.7498 -156.692 85.3969 41.024 13.7306 -144.548 -111.274 -63.3187 PRESSAVG: 2769800 -37.3915 -4.80147 5.77687 -4.80144 85.4118 21.0917 5.77681 21.0917 -20.7164 GPRESSAVG: 2769800 -38.3676 -7.37705 3.81267 -3.9377 85.5827 21.7712 5.77664 19.694 -19.1955 TIMING: 2769800 CPU: 8826.43, 0.00314234/step Wall: 8826.43, 0.00314234/step, 1.94668 hours remaining, 234.253906 MB of memory in use. ENERGY: 2769800 4083.2485 20398.1216 14359.6816 247.5565 -202536.6914 2185.5351 0.0000 0.0000 52304.1994 -108958.3487 300.5930 -161262.5481 -108591.4733 300.2466 -161.0904 -130.9506 760100.5637 9.1013 9.3398 PRESSURE: 2770000 22.9022 49.736 -187.033 49.7364 77.6925 56.8844 -187.033 56.8846 156.1 GPRESSURE: 2770000 134.54 176.183 -127.281 34.5762 28.2783 103.091 -281.345 101.459 185.225 PRESSAVG: 2770000 15.8217 27.2937 -19.1981 27.2937 -20.5018 -32.2684 -19.1981 -32.2684 0.710451 GPRESSAVG: 2770000 17.4841 29.3357 -18.9279 26.5647 -21.2788 -33.0527 -17.1855 -29.1847 0.375022 TIMING: 2770000 CPU: 8827.05, 0.00314561/step Wall: 8827.05, 0.00314561/step, 1.94853 hours remaining, 234.253906 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: 2770000 4069.5755 20318.7605 14491.9751 247.1124 -202869.8683 2420.3339 0.0000 0.0000 52219.7867 -109102.3243 300.1078 -161322.1111 -108737.8745 300.6679 85.5647 116.0146 760905.4662 -1.3232 -1.1399 PRESSURE: 2770200 98.2971 10.5409 -151.928 10.5408 285.042 -4.43621 -151.929 -4.43596 266.244 GPRESSURE: 2770200 124.357 -8.59398 -136.541 -64.665 308.049 -61.1032 -183.529 52.068 312.063 PRESSAVG: 2770200 -15.984 -32.2446 -31.823 -32.2446 31.2843 -10.5746 -31.823 -10.5746 -8.139 GPRESSAVG: 2770200 -17.3282 -31.9249 -30.1708 -31.3682 31.8797 -11.748 -34.4143 -12.4826 -8.3332 TIMING: 2770200 CPU: 8827.69, 0.00315513/step Wall: 8827.69, 0.00315513/step, 1.95425 hours remaining, 234.253906 MB of memory in use. ENERGY: 2770200 4025.2516 20577.3337 14396.0552 240.0579 -203325.7605 2457.1273 0.0000 0.0000 52237.9652 -109391.9698 300.2123 -161629.9350 -109036.6290 300.3247 216.5278 248.1564 759370.0387 2.3871 2.0728 PRESSURE: 2770400 -448.347 97.7973 143.595 97.7986 -282.477 37.3509 143.596 37.3511 -74.9738 GPRESSURE: 2770400 -355.993 9.75197 181.681 105.753 -279.651 63.2049 141.765 -113.938 -62.5739 PRESSAVG: 2770400 -33.973 -40.0579 -7.11218 -40.0578 -21.8396 29.1874 -7.1121 29.1872 6.14223 GPRESSAVG: 2770400 -34.3643 -43.0105 -7.53459 -40.0097 -21.1179 30.7777 -7.92309 29.5803 6.1267 TIMING: 2770400 CPU: 8828.31, 0.00312165/step Wall: 8828.31, 0.00312165/step, 1.93334 hours remaining, 234.253906 MB of memory in use. ENERGY: 2770400 4079.2147 20375.0540 14491.3205 236.5992 -202976.0115 2303.2733 0.0000 0.0000 51844.0343 -109646.5156 297.9484 -161490.5499 -109291.2663 299.2850 -268.5992 -232.7394 761786.9648 -16.5568 -16.4518 PRESSURE: 2770600 91.7536 25.0377 -152.509 25.0379 161.708 78.7187 -152.509 78.718 126.9 GPRESSURE: 2770600 108.601 -86.7006 -135.936 84.3299 127.729 11.4205 -113.526 28.4862 229.416 PRESSAVG: 2770600 18.6023 7.51045 -5.90957 7.51051 -9.98671 21.1785 -5.9096 21.1785 14.404 GPRESSAVG: 2770600 19.5931 8.94724 -7.92608 8.69097 -11.1282 19.8624 -3.78909 20.9644 14.2954 TIMING: 2770600 CPU: 8828.94, 0.00312783/step Wall: 8828.94, 0.00312783/step, 1.937 hours remaining, 234.253906 MB of memory in use. ENERGY: 2770600 3938.4520 20495.1679 14487.8412 242.9365 -203573.2765 2683.5288 0.0000 0.0000 52194.0592 -109531.2908 299.9600 -161725.3500 -109170.2228 299.3254 126.7873 155.2485 759678.4589 7.6732 7.5868 PRESSURE: 2770800 -103.345 -13.7094 -202.405 -13.7096 -279.453 24.2314 -202.406 24.2317 -220.772 GPRESSURE: 2770800 -49.2588 -37.0343 -63.5737 -18.3448 -222.214 -19.5359 -126.876 18.437 -253.789 PRESSAVG: 2770800 74.035 -31.1723 -3.01641 -31.1723 -75.5318 -16.08 -3.01643 -16.08 5.65485 GPRESSAVG: 2770800 71.2657 -30.6616 -0.678136 -30.496 -72.3957 -16.0255 -3.31936 -16.2937 5.03388 TIMING: 2770800 CPU: 8829.56, 0.00313449/step Wall: 8829.56, 0.00313449/step, 1.94094 hours remaining, 234.253906 MB of memory in use. ENERGY: 2770800 3987.9614 20531.6657 14519.6641 264.6025 -203419.0282 2622.0909 0.0000 0.0000 51850.8318 -109642.2119 297.9874 -161493.0436 -109291.5100 299.1398 -201.1901 -175.0872 759582.6055 1.3860 1.3013 PRESSURE: 2771000 -73.1161 7.07793 55.3414 7.07804 64.9471 197.915 55.3408 197.915 -34.6328 GPRESSURE: 2771000 -13.6848 -17.2255 58.1917 55.8373 30.4479 209.722 -13.3298 105.008 9.16382 PRESSAVG: 2771000 53.7548 -44.7223 21.9493 -44.7223 -68.1852 -12.0994 21.9493 -12.0993 -20.1176 GPRESSAVG: 2771000 55.5645 -43.1757 21.0373 -46.6834 -70.5294 -11.3443 21.3155 -12.1803 -19.5661 TIMING: 2771000 CPU: 8830.19, 0.00314972/step Wall: 8830.19, 0.00314972/step, 1.9502 hours remaining, 234.253906 MB of memory in use. ENERGY: 2771000 3919.7933 20635.9873 14422.6127 239.4567 -203145.6957 2322.9871 0.0000 0.0000 51866.5065 -109738.3521 298.0775 -161604.8585 -109369.5442 298.5294 -14.2673 8.6423 760832.4373 -11.5160 -11.5103 PRESSURE: 2771200 13.3236 257.708 108.146 257.708 -334.711 -41.914 108.147 -41.9133 170.019 GPRESSURE: 2771200 -9.70318 350.819 105.779 237.331 -302.446 33.6024 129.26 -20.4266 248.127 PRESSAVG: 2771200 56.876 -22.1382 17.7299 -22.1382 -0.772649 4.92277 17.73 4.92276 -14.7262 GPRESSAVG: 2771200 56.5552 -23.8051 17.4868 -18.8864 -0.170253 4.45045 17.1784 4.68179 -15.3293 TIMING: 2771200 CPU: 8830.82, 0.00313484/step Wall: 8830.82, 0.00313484/step, 1.94082 hours remaining, 234.253906 MB of memory in use. ENERGY: 2771200 4054.6848 20530.3385 14402.7232 261.6869 -203616.9365 2622.7979 0.0000 0.0000 52190.0368 -109554.6682 299.9369 -161744.7050 -109188.2866 299.1951 -50.4561 -21.3405 760557.3583 13.7924 13.6852 PRESSURE: 2771400 137.031 -123.535 -74.9946 -123.535 146.931 235.146 -74.9948 235.146 -8.0065 GPRESSURE: 2771400 177.418 -135.834 -43.6581 -99.4288 151.404 235.682 -20.2677 268.985 25.7191 PRESSAVG: 2771400 -22.6687 -57.1481 13.6106 -57.148 16.73 41.1946 13.6106 41.1946 7.12826 GPRESSAVG: 2771400 -21.836 -57.8676 13.2713 -59.5872 16.0237 40.1982 14.6959 43.6369 7.29718 TIMING: 2771400 CPU: 8831.44, 0.0031302/step Wall: 8831.44, 0.0031302/step, 1.93777 hours remaining, 234.253906 MB of memory in use. ENERGY: 2771400 3981.4297 20561.0996 14461.4840 235.2448 -203417.3045 2663.7436 0.0000 0.0000 52033.5183 -109480.7844 299.0373 -161514.3028 -109122.8796 299.4022 91.9853 118.1806 759917.0761 0.3965 0.4950 PRESSURE: 2771600 -95.6071 257.111 -178.019 257.111 -6.09751 -42.5996 -178.019 -42.6001 -272.045 GPRESSURE: 2771600 31.6666 196.686 -164.097 218.35 -49.8664 -96.3514 -211.138 -110.616 -262.116 PRESSAVG: 2771600 50.2037 -7.45238 -30.5732 -7.45239 -18.9063 42.2736 -30.5732 42.2737 19.337 GPRESSAVG: 2771600 49.5012 -6.50878 -30.4078 -7.84927 -19.0577 43.9759 -30.2152 39.08 20.7273 TIMING: 2771600 CPU: 8832.07, 0.0031296/step Wall: 8832.07, 0.0031296/step, 1.93722 hours remaining, 234.253906 MB of memory in use. ENERGY: 2771600 4096.7359 20631.0473 14427.2014 241.5754 -203410.3548 2649.5312 0.0000 0.0000 51901.7658 -109462.4979 298.2802 -161364.2637 -109103.0101 299.7458 -124.5831 -93.4386 760775.4378 16.8781 17.0569 PRESSURE: 2771800 -276.758 -92.5643 44.4655 -92.5648 -18.2109 -12.1736 44.4659 -12.1741 -119.589 GPRESSURE: 2771800 -187.65 -5.88599 66.1635 -194.483 -61.4681 -57.3018 0.617213 -21.8328 -81.6857 PRESSAVG: 2771800 34.3289 17.6219 -19.9929 17.6219 -22.5866 32.363 -19.9929 32.3631 -1.33829 GPRESSAVG: 2771800 35.4328 16.4393 -20.2577 19.3974 -23.1333 31.79 -19.5691 30.4457 -1.65648 TIMING: 2771800 CPU: 8832.69, 0.00310746/step Wall: 8832.69, 0.00310746/step, 1.92334 hours remaining, 234.253906 MB of memory in use. ENERGY: 2771800 4028.0505 20469.4010 14405.6577 245.7358 -203144.3115 2360.5749 0.0000 0.0000 52253.3847 -109381.5069 300.3009 -161634.8916 -109022.2393 299.3430 -138.1861 -110.2680 762306.0861 3.4680 3.5477 PRESSURE: 2772000 -223.56 13.4432 -241.372 13.4429 63.8618 -28.2313 -241.371 -28.2306 73.1971 GPRESSURE: 2772000 -180.614 93.7683 -182.811 -139.126 77.1739 12.916 -235.312 44.6719 117.449 PRESSAVG: 2772000 28.0259 8.9845 -18.5938 8.98447 -25.8015 -11.5265 -18.5938 -11.5265 29.8727 GPRESSAVG: 2772000 26.4728 8.39597 -17.5602 8.03365 -25.534 -12.5811 -19.6538 -9.19532 31.0424 TIMING: 2772000 CPU: 8833.32, 0.0031376/step Wall: 8833.32, 0.0031376/step, 1.94182 hours remaining, 234.253906 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: 2772000 4041.9376 20526.1166 14463.4516 252.0345 -203355.9056 2583.9351 0.0000 0.0000 52152.2111 -109336.2192 299.7195 -161488.4303 -108962.3457 299.8701 -28.8336 4.6697 761011.3970 10.6990 10.6604 PRESSURE: 2772200 46.0164 -260.462 239.408 -260.462 152.051 121.63 239.408 121.63 549.846 GPRESSURE: 2772200 12.7189 -115.935 222.391 -317.564 336.151 49.196 175.866 61.8949 472.626 PRESSAVG: 2772200 -9.00205 52.5962 39.557 52.5962 1.58382 18.6383 39.557 18.6383 18.3854 GPRESSAVG: 2772200 -8.90838 56.4209 39.6868 49.7995 2.7325 20.509 39.1176 17.81 17.1671 TIMING: 2772200 CPU: 8833.95, 0.00315026/step Wall: 8833.95, 0.00315026/step, 1.94949 hours remaining, 234.253906 MB of memory in use. ENERGY: 2772200 4025.9778 20450.5530 14468.6894 250.3713 -203632.5311 2679.6741 0.0000 0.0000 52336.0462 -109421.2193 300.7760 -161757.2654 -109056.5619 299.4214 249.3042 273.8318 760773.5447 3.6557 3.6637 LDB: ============= START OF LOAD BALANCING ============== 8846.37 LDB: ============== END OF LOAD BALANCING =============== 8846.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8846.37 LDB: ============= START OF LOAD BALANCING ============== 8846.68 LDB: Largest compute 7047 load 0.031568 is 16.1% of average load 0.195476 LDB: Average compute 0.004381 is 2.2% of average load 0.195476 LDB: TIME 8846.69 LOAD: AVG 0.195476 MAX 0.219033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 8846.69 LOAD: AVG 0.195476 MAX 0.219033 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 8846.69 LOAD: AVG 0.195476 MAX 0.217154 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 8846.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8846.7 PRESSURE: 2772400 -148.686 111.637 -44.0217 111.637 -182.129 247.963 -44.0215 247.961 -47.6347 GPRESSURE: 2772400 -123.717 13.752 -6.22971 0.38329 -134.931 215.055 -61.7549 231.015 -25.8485 PRESSAVG: 2772400 37.9989 12.2216 29.9317 12.2216 -32.4983 63.9416 29.9316 63.9415 18.1375 GPRESSAVG: 2772400 37.2914 11.1311 29.9404 13.0561 -32.3821 63.8767 29.2682 64.4998 18.5846 TIMING: 2772400 CPU: 8834.59, 0.0031984/step Wall: 8834.59, 0.0031984/step, 1.9791 hours remaining, 232.917969 MB of memory in use. ENERGY: 2772400 4063.3798 20459.7022 14453.7829 243.9226 -203032.0283 2319.9448 0.0000 0.0000 52064.0118 -109427.2843 299.2126 -161491.2961 -109073.9093 299.9324 -126.1501 -94.8321 760814.4749 7.8794 7.8313 PRESSURE: 2772600 92.9024 -156.68 43.4132 -156.68 400.234 87.6065 43.413 87.6069 87.7081 GPRESSURE: 2772600 236.297 -133.619 114.457 -110.689 359.903 164.136 73.8114 -42.7546 83.9998 PRESSAVG: 2772600 33.2802 -19.2466 19.6424 -19.2466 -67.3913 41.1247 19.6424 41.1246 -23.8687 GPRESSAVG: 2772600 35.6003 -20.9836 19.4123 -16.9663 -68.7504 41.9436 20.4322 41.6417 -24.6978 TIMING: 2772600 CPU: 8835.21, 0.00311833/step Wall: 8835.21, 0.00311834/step, 1.92938 hours remaining, 233.121094 MB of memory in use. ENERGY: 2772600 4022.3510 20488.4038 14369.6734 245.7892 -203620.9451 2767.1550 0.0000 0.0000 52140.9082 -109586.6644 299.6545 -161727.5726 -109221.0526 299.7945 193.6148 226.7333 759937.2857 -19.3266 -19.2827 PRESSURE: 2772800 -89.9068 -138.885 195.117 -138.885 -223.64 -73.1148 195.118 -73.1146 -269.266 GPRESSURE: 2772800 35.4686 -94.6709 312.065 -79.9815 -247.727 13.3414 252.086 16.815 -286.198 PRESSAVG: 2772800 38.0298 -67.9809 34.7057 -67.9808 -60.4304 19.489 34.7058 19.489 8.43284 GPRESSAVG: 2772800 36.8727 -68.3251 35.0373 -69.3913 -59.692 17.7154 37.5695 20.5938 8.6833 TIMING: 2772800 CPU: 8835.83, 0.00309984/step Wall: 8835.83, 0.00309984/step, 1.91777 hours remaining, 233.121094 MB of memory in use. ENERGY: 2772800 4045.2929 20449.5798 14485.4884 255.5024 -203482.1459 2482.4024 0.0000 0.0000 52047.1021 -109716.7778 299.1154 -161763.8798 -109353.8901 298.9978 -194.2708 -166.1521 762152.2759 -4.6559 -4.7120 PRESSURE: 2773000 -291.544 -96.3183 20.3996 -96.3184 -74.8288 206.771 20.3997 206.771 -230.002 GPRESSURE: 2773000 -255.598 -145.86 52.833 30.7412 -36.6629 120.202 -265.985 207.232 -215.382 PRESSAVG: 2773000 17.8204 10.1177 21.4203 10.1177 -8.98888 110.297 21.4204 110.297 -18.9472 GPRESSAVG: 2773000 18.1734 11.9808 20.3096 11.4935 -10.2027 109.958 18.3608 109.143 -18.2449 TIMING: 2773000 CPU: 8836.46, 0.00312541/step Wall: 8836.46, 0.00312541/step, 1.93341 hours remaining, 233.121094 MB of memory in use. ENERGY: 2773000 4048.8066 20485.1532 14413.5398 245.8557 -203297.0919 2496.8225 0.0000 0.0000 51829.4554 -109777.4587 297.8646 -161606.9141 -109426.8036 298.4865 -198.7917 -169.2144 761108.7425 -3.3719 -3.4247 PRESSURE: 2773200 -141.739 -104.168 -136.44 -104.169 -223.576 101.715 -136.441 101.715 -107.408 GPRESSURE: 2773200 -82.6848 -207.199 -199.017 -112.512 -184.807 38.1884 57.3747 64.4545 -123.664 PRESSAVG: 2773200 11.0841 -20.1738 33.6851 -20.1739 4.62794 87.377 33.685 87.377 -17.1668 GPRESSAVG: 2773200 9.96081 -21.8865 34.7857 -20.2059 5.74537 87.8425 32.8448 89.1999 -16.9188 TIMING: 2773200 CPU: 8837.08, 0.00313183/step Wall: 8837.08, 0.00313183/step, 1.93721 hours remaining, 233.121094 MB of memory in use. ENERGY: 2773200 3970.3144 20410.4365 14428.5430 213.6829 -203408.2281 2535.4644 0.0000 0.0000 51879.3124 -109970.4746 298.1511 -161849.7870 -109605.7497 298.7709 -157.5745 -130.3851 759839.4102 -0.4849 -0.4042 PRESSURE: 2773400 -212.715 -38.7085 143.444 -38.7086 -294.237 129.502 143.445 129.501 43.5938 GPRESSURE: 2773400 -210.818 -77.0314 142.777 81.7157 -281.721 66.9787 26.2265 125 125.9 PRESSAVG: 2773400 -17.7342 33.5263 13.1086 33.5263 22.2752 56.1878 13.1086 56.1877 27.9655 GPRESSAVG: 2773400 -16.7469 35.9887 12.5506 30.7267 21.6114 56.1301 13.5799 54.5358 27.5801 TIMING: 2773400 CPU: 8837.71, 0.00311313/step Wall: 8837.71, 0.00311313/step, 1.92547 hours remaining, 233.121094 MB of memory in use. ENERGY: 2773400 4023.2992 20360.0018 14414.7249 265.1698 -202765.6190 2100.9420 0.0000 0.0000 51754.1958 -109847.2856 297.4321 -161601.4814 -109500.3665 298.4255 -154.4529 -122.2129 761844.1402 10.8355 10.8149 PRESSURE: 2773600 288.935 -65.2148 -178.096 -65.2153 215.802 314.894 -178.096 314.895 34.6112 GPRESSURE: 2773600 361.45 -72.8109 -213.152 -151.63 262.173 318.247 -108.788 437.131 13.7315 PRESSAVG: 2773600 -20.8285 -8.04521 -29.3104 -8.04519 52.9807 0.669748 -29.3104 0.669621 -15.4079 GPRESSAVG: 2773600 -20.7159 -10.6299 -29.785 -5.24149 52.6654 0.983492 -28.2947 0.863331 -15.4236 TIMING: 2773600 CPU: 8838.33, 0.00312993/step Wall: 8838.33, 0.00312993/step, 1.93569 hours remaining, 233.121094 MB of memory in use. ENERGY: 2773600 3965.7214 20295.1450 14405.0153 252.0278 -203341.4950 2662.5684 0.0000 0.0000 52001.9535 -109759.0637 298.8559 -161761.0172 -109401.0467 298.6861 179.7827 212.4513 761075.5634 5.5814 5.5086 PRESSURE: 2773800 -63.325 -14.2154 -60.0382 -14.2154 311.808 -102.82 -60.0378 -102.82 316.993 GPRESSURE: 2773800 -14.7876 97.7982 -67.1261 47.5455 325.178 -152.414 -58.2964 -7.74596 334.14 PRESSAVG: 2773800 40.724 21.1476 -24.502 21.1476 -18.2832 28.966 -24.5021 28.9661 -23.7717 GPRESSAVG: 2773800 40.7919 24.4622 -25.0258 21.2494 -17.8753 29.1273 -24.5836 29.1817 -24.2163 TIMING: 2773800 CPU: 8838.96, 0.00314099/step Wall: 8838.96, 0.00314099/step, 1.94236 hours remaining, 233.121094 MB of memory in use. ENERGY: 2773800 3960.8645 20428.2595 14454.5651 242.9213 -203530.4384 2822.1201 0.0000 0.0000 51949.8686 -109671.8393 298.5566 -161621.7079 -109312.9932 298.6371 188.4921 214.8437 760640.1003 -0.4436 -0.4332 PRESSURE: 2774000 117.824 182.234 -215.232 182.234 -274.168 -20.8317 -215.232 -20.8328 36.6723 GPRESSURE: 2774000 146.157 -26.3653 -259.243 213.701 -269.272 -63.2844 -180.852 -34.3262 74.4047 PRESSAVG: 2774000 -29.2613 17.9742 -11.8403 17.9742 45.2948 -24.5605 -11.8403 -24.5605 -11.0347 GPRESSAVG: 2774000 -29.3163 15.4384 -9.03371 17.8166 43.9189 -26.3773 -12.0067 -25.2682 -9.83628 TIMING: 2774000 CPU: 8839.59, 0.00312531/step Wall: 8839.59, 0.00312531/step, 1.93248 hours remaining, 233.121094 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: 2774000 3979.0503 20428.2868 14437.3353 249.8205 -203309.4560 2427.8735 0.0000 0.0000 51975.0657 -109812.0238 298.7014 -161787.0895 -109456.0662 298.8540 -39.8904 -16.2368 759989.2138 1.6662 1.5888 PRESSURE: 2774200 123.577 103.226 262.64 103.226 -245.703 56.6017 262.64 56.6012 274.568 GPRESSURE: 2774200 174.542 138.011 273.994 77.6776 -172.935 177.375 79.0218 198.479 258.141 PRESSAVG: 2774200 33.6572 50.2226 26.0171 50.2226 -26.498 -37.6237 26.0172 -37.6237 15.3949 GPRESSAVG: 2774200 32.0406 50.2032 23.875 48.3435 -24.9417 -37.4156 25.6526 -36.3828 15.6035 TIMING: 2774200 CPU: 8840.21, 0.00311858/step Wall: 8840.21, 0.00311858/step, 1.92815 hours remaining, 233.121094 MB of memory in use. ENERGY: 2774200 3966.0698 20430.5048 14509.3034 262.5748 -203454.5026 2493.8075 0.0000 0.0000 51995.1376 -109797.1047 298.8168 -161792.2423 -109442.2283 298.8901 50.8140 86.5827 760007.4654 7.5180 7.5675 PRESSURE: 2774400 241.207 229.236 -184.605 229.235 -165.039 5.29763 -184.606 5.2979 -5.35399 GPRESSURE: 2774400 246.794 107.242 -185.93 99.6252 -61.3431 71.4672 -109.222 90.9353 -12.4415 PRESSAVG: 2774400 0.330832 -9.80641 41.5278 -9.80645 11.3849 48.1253 41.5278 48.1253 17.1813 GPRESSAVG: 2774400 0.954392 -8.97303 40.0998 -8.75608 11.4066 49.8089 42.2583 47.5032 16.556 TIMING: 2774400 CPU: 8840.84, 0.00312712/step Wall: 8840.84, 0.00312712/step, 1.93325 hours remaining, 233.121094 MB of memory in use. ENERGY: 2774400 3972.6415 20447.2890 14427.5296 232.1690 -203499.0106 2324.6722 0.0000 0.0000 52211.6930 -109883.0163 300.0613 -162094.7093 -109521.6175 298.8725 23.6048 57.6697 758334.9405 9.6323 9.6390 PRESSURE: 2774600 98.2919 188.362 -188.383 188.363 26.8118 79.5884 -188.383 79.5877 -338.947 GPRESSURE: 2774600 115.252 165.447 -165.681 170.09 40.1676 94.7261 -294.361 93.0896 -262.654 PRESSAVG: 2774600 18.6357 -42.1548 17.3045 -42.1548 -18.7339 31.6656 17.3045 31.6656 -5.47551 GPRESSAVG: 2774600 18.8302 -43.523 18.4998 -41.8244 -17.9525 30.7144 15.9646 32.1187 -6.01042 TIMING: 2774600 CPU: 8841.46, 0.00312366/step Wall: 8841.46, 0.00312366/step, 1.93094 hours remaining, 233.121094 MB of memory in use. ENERGY: 2774600 3908.4383 20509.9214 14358.7530 245.2750 -203296.9293 2314.9294 0.0000 0.0000 51887.2296 -110072.3826 298.1966 -161959.6122 -109719.5457 298.5709 -71.2812 -35.7447 759653.7470 -1.8579 -1.7109 PRESSURE: 2774800 -305.245 152.988 40.0002 152.988 -361.967 76.1484 40.0008 76.1477 -313.41 GPRESSURE: 2774800 -264.811 130.725 37.0543 170.782 -395.698 55.3994 166.769 -90.7277 -259.367 PRESSAVG: 2774800 -42.1879 4.64155 -4.74895 4.64162 44.4779 -10.0598 -4.74891 -10.0597 -17.7451 GPRESSAVG: 2774800 -41.5027 4.29708 -4.71776 3.2657 42.7918 -9.11798 -2.80306 -9.96344 -16.7282 TIMING: 2774800 CPU: 8842.08, 0.00312035/step Wall: 8842.08, 0.00312035/step, 1.92872 hours remaining, 233.121094 MB of memory in use. ENERGY: 2774800 4001.8359 20561.4491 14414.7288 230.0458 -203234.1370 2034.8614 0.0000 0.0000 52023.9082 -109967.3077 298.9821 -161991.2159 -109612.5840 298.0030 -326.8738 -306.6254 760489.5055 -5.1517 -5.1464 PRESSURE: 2775000 190.485 134.244 171.363 134.245 43.02 -42.6735 171.363 -42.6732 201.703 GPRESSURE: 2775000 218.551 60.5708 182.821 94.846 174.249 -69.4089 234.942 -25.1384 143.785 PRESSAVG: 2775000 -18.0292 25.1145 37.2506 25.1145 5.11933 -24.5742 37.2507 -24.5741 -2.30437 GPRESSAVG: 2775000 -19.2216 25.7933 37.6548 24.66 6.95797 -25.1102 35.2568 -24.0724 -2.85388 TIMING: 2775000 CPU: 8842.71, 0.00312416/step Wall: 8842.71, 0.00312416/step, 1.93091 hours remaining, 233.121094 MB of memory in use. ENERGY: 2775000 3987.1696 20359.1525 14427.1922 248.2517 -203491.3555 2563.8288 0.0000 0.0000 51801.6940 -110104.0667 297.7050 -161905.7607 -109745.9343 298.2867 145.0695 178.8616 759792.4942 -5.0714 -5.0392 PRESSURE: 2775200 -53.7514 35.9237 155.792 35.9233 12.0881 -92.9049 155.792 -92.9056 84.5682 GPRESSURE: 2775200 5.69067 41.8769 71.9162 -48.1247 21.0912 -181.918 75.4125 -31.9292 99.1794 PRESSAVG: 2775200 36.1066 -7.4478 -3.07601 -7.44778 17.9485 6.45309 -3.07607 6.45308 -31.769 GPRESSAVG: 2775200 35.8348 -5.85043 -3.65408 -6.61928 17.5034 4.43644 -1.20325 7.79588 -31.0219 TIMING: 2775200 CPU: 8843.33, 0.00312271/step Wall: 8843.33, 0.00312271/step, 1.92984 hours remaining, 233.121094 MB of memory in use. ENERGY: 2775200 4040.0476 20451.9788 14387.7097 229.9002 -203687.8856 2440.5471 0.0000 0.0000 52061.9703 -110075.7319 299.2009 -162137.7022 -109711.8115 297.9827 14.3016 41.9871 758608.2247 7.4287 7.4388 PRESSURE: 2775400 2.09053 19.2371 94.807 19.2374 176.054 -108.668 94.8065 -108.668 258.069 GPRESSURE: 2775400 95.9812 -11.7414 30.2634 42.9052 214.475 -96.4055 -90.1813 -158.341 209.606 PRESSAVG: 2775400 -19.7738 -35.9319 11.7117 -35.9319 16.5899 70.0322 11.7117 70.0322 -19.3243 GPRESSAVG: 2775400 -19.1967 -36.4828 10.7833 -34.96 17.1158 70.7969 11.3488 68.9113 -20.379 TIMING: 2775400 CPU: 8843.96, 0.00311736/step Wall: 8843.96, 0.00311736/step, 1.92635 hours remaining, 233.121094 MB of memory in use. ENERGY: 2775400 4011.9978 20409.8528 14478.4008 236.2505 -203557.5201 2728.0623 0.0000 0.0000 51785.1167 -109907.8392 297.6098 -161692.9559 -109547.8247 298.2906 145.4044 173.3541 759954.5337 -7.5027 -7.4866 PRESSURE: 2775600 136.765 -146.572 133.618 -146.573 162.479 585.406 133.618 585.406 335.775 GPRESSURE: 2775600 171.129 -97.5204 100.544 -50.279 224.776 523.095 82.1968 312.325 343.584 PRESSAVG: 2775600 9.55223 -49.2287 66.4042 -49.2287 -3.53802 -8.65092 66.4043 -8.65084 23.8174 GPRESSAVG: 2775600 10.351 -51.4631 67.9539 -48.3856 -4.34047 -7.79642 65.2156 -11.0483 24.5159 TIMING: 2775600 CPU: 8844.58, 0.00313143/step Wall: 8844.58, 0.00313143/step, 1.93488 hours remaining, 233.121094 MB of memory in use. ENERGY: 2775600 3974.8648 20472.5680 14395.3218 246.1761 -203462.7410 2458.0442 0.0000 0.0000 51936.1453 -109979.6208 298.4777 -161915.7661 -109609.6265 298.4196 211.6728 246.4964 759540.4195 9.9439 10.1755 PRESSURE: 2775800 80.7911 6.57094 -105.013 6.56987 -394.817 -126.752 -105.013 -126.752 -292.998 GPRESSURE: 2775800 32.8675 26.94 -87.2369 -65.8621 -321.151 -192.612 -73.4784 -99.8392 -235.803 PRESSAVG: 2775800 -33.7671 -50.1975 -4.62465 -50.1975 36.554 11.1335 -4.62459 11.1335 -15.7204 GPRESSAVG: 2775800 -34.2406 -48.3759 -3.39712 -51.5509 37.3073 11.0416 -5.52201 13.8552 -15.7781 TIMING: 2775800 CPU: 8845.21, 0.00312528/step Wall: 8845.21, 0.00312528/step, 1.9309 hours remaining, 233.121094 MB of memory in use. ENERGY: 2775800 3965.5833 20615.0561 14418.2813 252.9581 -203333.8501 2288.4617 0.0000 0.0000 52007.4219 -109786.0878 298.8874 -161793.5097 -109424.3582 298.6965 -202.3415 -174.6956 761686.8331 -4.3112 -4.2371 PRESSURE: 2776000 212.16 -51.7048 -55.6424 -51.7044 -213.402 142.174 -55.6421 142.174 -289.216 GPRESSURE: 2776000 174.566 -165.908 -32.7689 -77.6702 -136.64 169.82 21.8604 2.73719 -234.799 PRESSAVG: 2776000 11.1209 -57.3779 63.6888 -57.3779 -13.294 -30.2754 63.6887 -30.2755 -4.04768 GPRESSAVG: 2776000 11.5271 -58.2519 62.5413 -57.651 -14.658 -31.6801 64.3978 -31.507 -2.93297 TIMING: 2776000 CPU: 8845.83, 0.00313096/step Wall: 8845.83, 0.00313096/step, 1.93424 hours remaining, 233.121094 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: 2776000 3981.2792 20414.6577 14463.6388 246.1123 -203106.0309 2204.7337 0.0000 0.0000 52003.4648 -109792.1444 298.8646 -161795.6092 -109426.3516 298.8552 -96.8193 -65.6243 759663.6066 -2.0736 -2.0213 PRESSURE: 2776200 -255.871 148.596 103.949 148.595 -90.2117 35.9481 103.949 35.9482 -96.0466 GPRESSURE: 2776200 -220.236 -13.2745 163.175 273.657 -115.672 79.6954 117.848 38.6506 -13.3061 PRESSAVG: 2776200 69.7553 -27.1584 46.2207 -27.1584 -91.0901 12.1708 46.2207 12.1709 8.62756 GPRESSAVG: 2776200 69.0545 -26.9837 46.6457 -27.4077 -90.0801 13.143 47.7617 13.5076 8.50736 TIMING: 2776200 CPU: 8846.46, 0.00312962/step Wall: 8846.46, 0.00312962/step, 1.93324 hours remaining, 233.121094 MB of memory in use. ENERGY: 2776200 3983.9814 20372.5981 14480.3393 233.4115 -203556.2321 2513.8354 0.0000 0.0000 52152.5560 -109819.5104 299.7215 -161972.0664 -109458.5886 299.1765 -147.3765 -116.4047 759718.6272 -4.2357 -4.1727 LDB: ============= START OF LOAD BALANCING ============== 8858.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8858.88 LDB: =============== DONE WITH MIGRATION ================ 8858.88 LDB: ============= START OF LOAD BALANCING ============== 8859.2 LDB: Largest compute 7075 load 0.033849 is 17.3% of average load 0.195447 LDB: Average compute 0.004368 is 2.2% of average load 0.195447 LDB: TIME 8859.2 LOAD: AVG 0.195447 MAX 0.222829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 8859.2 LOAD: AVG 0.195447 MAX 0.222829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 8859.2 LOAD: AVG 0.195447 MAX 0.217847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 8859.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8859.21 PRESSURE: 2776400 -236.256 161.549 342.61 161.549 -358.197 -63.4302 342.611 -63.4297 187.498 GPRESSURE: 2776400 -174.403 195.725 400.658 106.471 -299.302 -50.0444 129.579 -137.142 157.524 PRESSAVG: 2776400 4.4092 -23.96 28.5844 -23.96 -4.72262 4.95407 28.5845 4.95407 5.55002 GPRESSAVG: 2776400 4.84145 -24.742 26.8469 -20.3664 -4.7859 4.47999 28.4815 5.28143 4.97806 TIMING: 2776400 CPU: 8847.11, 0.00322221/step Wall: 8847.11, 0.00322221/step, 1.99025 hours remaining, 234.132812 MB of memory in use. ENERGY: 2776400 3901.9202 20477.2771 14511.2232 245.6047 -203346.7548 2397.5119 0.0000 0.0000 51974.1710 -109839.0468 298.6963 -161813.2177 -109480.6651 298.6872 -135.6513 -105.3938 760683.9402 1.7455 1.6779 PRESSURE: 2776600 -180.226 91.5515 264.803 91.5505 -81.3962 35.302 264.803 35.3029 -195.097 GPRESSURE: 2776600 -226.598 62.4749 306.979 -83.8204 18.1484 28.7002 136.154 -0.401453 -158.762 PRESSAVG: 2776600 -64.1237 -25.9705 21.5249 -25.9704 11.402 -10.3257 21.5249 -10.3257 -11.7216 GPRESSAVG: 2776600 -65.7736 -26.1635 23.7398 -28.7626 12.9588 -9.20297 19.4716 -15.3192 -11.4275 TIMING: 2776600 CPU: 8847.73, 0.00312343/step Wall: 8847.73, 0.00312343/step, 1.92906 hours remaining, 234.335938 MB of memory in use. ENERGY: 2776600 3929.8876 20539.5280 14368.6488 246.2942 -203140.3319 2366.6116 0.0000 0.0000 52021.9350 -109667.4266 298.9708 -161689.3616 -109300.5418 299.0101 -152.2399 -122.4037 760521.5813 -21.4811 -21.4141 PRESSURE: 2776800 -274.082 -235.126 -123.021 -235.126 308.297 80.1101 -123.021 80.1096 528.789 GPRESSURE: 2776800 -225.317 -47.2055 -182.922 -220.46 308.789 66.3234 -128.298 240.864 570.337 PRESSAVG: 2776800 4.43134 -21.657 51.3083 -21.6571 -8.54299 41.0493 51.3084 41.0493 6.47342 GPRESSAVG: 2776800 5.50358 -19.9147 50.2909 -20.6915 -9.25358 41.9259 53.846 45.1592 5.98277 TIMING: 2776800 CPU: 8848.36, 0.0031347/step Wall: 8848.36, 0.0031347/step, 1.93585 hours remaining, 234.335938 MB of memory in use. ENERGY: 2776800 3958.6092 20596.7484 14363.8658 255.5058 -203546.9439 2671.1581 0.0000 0.0000 52140.0979 -109560.9587 299.6499 -161701.0566 -109200.8661 299.1808 187.6682 217.9364 761413.3780 0.7873 0.7443 PRESSURE: 2777000 84.4766 -211.055 60.002 -211.055 -125.39 -228.627 60.0021 -228.626 -22.0717 GPRESSURE: 2777000 226.167 -126.576 61.7083 -298.341 -154.749 -183.61 21.9241 -270.152 -33.4147 PRESSAVG: 2777000 16.5899 -84.8862 -0.839255 -84.8862 -26.568 50.8169 -0.839282 50.8169 -3.63644 GPRESSAVG: 2777000 17.4238 -84.8827 -0.906047 -85.9766 -26.2796 49.957 -3.36877 50.466 -4.09142 TIMING: 2777000 CPU: 8848.98, 0.00312484/step Wall: 8848.98, 0.00312484/step, 1.92959 hours remaining, 234.406250 MB of memory in use. ENERGY: 2777000 3987.0200 20397.3267 14383.0336 244.0523 -203414.6080 2606.7354 0.0000 0.0000 52166.0911 -109630.3487 299.7992 -161796.4399 -109278.2935 299.3920 -20.9949 12.6678 760767.3540 -4.5382 -4.3157 PRESSURE: 2777200 223.703 -174.62 19.0605 -174.62 145.202 75.4405 19.061 75.4401 372.918 GPRESSURE: 2777200 252.271 -91.6269 75.4979 -159.804 175.373 41.9038 -61.9281 92.1824 388.713 PRESSAVG: 2777200 70.9615 -37.7711 -6.43776 -37.7712 -51.5533 -1.13063 -6.43767 -1.13055 19.0467 GPRESSAVG: 2777200 70.9385 -37.2998 -5.46474 -36.6964 -52.063 -0.350198 -6.90931 -4.07368 19.8303 TIMING: 2777200 CPU: 8849.61, 0.00312564/step Wall: 8849.61, 0.00312564/step, 1.92991 hours remaining, 234.406250 MB of memory in use. ENERGY: 2777200 4001.3663 20447.8335 14343.0233 244.4024 -203614.5448 2832.6312 0.0000 0.0000 52112.7320 -109632.5560 299.4926 -161745.2880 -109257.6201 298.9321 247.2743 272.1188 759946.9077 12.8183 12.9019 PRESSURE: 2777400 -476.121 31.756 -93.2333 31.7566 -16.6168 -86.4925 -93.2329 -86.4934 38.5006 GPRESSURE: 2777400 -437.735 -114.434 -85.2218 -2.46325 87.3686 37.44 12.6615 -128.483 5.53368 PRESSAVG: 2777400 59.8175 -7.30442 48.0917 -7.30434 -30.9067 26.4513 48.0917 26.4512 27.7405 GPRESSAVG: 2777400 59.0684 -7.27197 47.6588 -9.07102 -31.3356 26.2221 50.5757 28.5709 28.8137 TIMING: 2777400 CPU: 8850.23, 0.00313187/step Wall: 8850.23, 0.00313187/step, 1.93358 hours remaining, 234.406250 MB of memory in use. ENERGY: 2777400 3967.9609 20577.9721 14362.3799 243.3516 -203007.9633 2321.1979 0.0000 0.0000 51906.6690 -109628.4319 298.3083 -161535.1009 -109266.4681 298.8078 -151.4123 -114.9441 761924.0799 18.8837 18.8488 PRESSURE: 2777600 -10.3571 17.9548 121.775 17.9544 208.359 114.288 121.775 114.288 -313.964 GPRESSURE: 2777600 90.1392 -59.176 32.5269 -63.0636 189.558 203.59 306.1 -30.2556 -299.837 PRESSAVG: 2777600 20.8669 -16.7122 -13.1133 -16.7121 -24.0122 -23.533 -13.1134 -23.533 -18.4446 GPRESSAVG: 2777600 20.9709 -17.4364 -13.6273 -14.9101 -22.9726 -24.6122 -13.7481 -21.4317 -19.8305 TIMING: 2777600 CPU: 8850.86, 0.00314083/step Wall: 8850.86, 0.00314083/step, 1.93894 hours remaining, 234.406250 MB of memory in use. ENERGY: 2777600 3971.9361 20478.3268 14437.3950 250.3681 -203391.7309 2500.7627 0.0000 0.0000 52001.8940 -109751.0482 298.8556 -161752.9422 -109385.4962 298.9855 -38.6539 -6.7133 759193.2447 -7.1966 -7.2774 PRESSURE: 2777800 -110.944 134.365 -159.437 134.364 80.172 354.841 -159.437 354.841 152.35 GPRESSURE: 2777800 -133.494 50.7283 -70.6925 142.357 140.603 339.39 -191.693 209.889 218.105 PRESSAVG: 2777800 85.6752 -35.1544 -2.47347 -35.1544 -32.9516 10.3273 -2.47344 10.3273 -3.85716 GPRESSAVG: 2777800 86.1472 -35.7684 -1.74541 -35.9864 -33.2265 9.76978 -3.10205 7.29553 -4.3877 TIMING: 2777800 CPU: 8851.5, 0.0031673/step Wall: 8851.5, 0.0031673/step, 1.9551 hours remaining, 234.406250 MB of memory in use. ENERGY: 2777800 3930.2144 20594.7122 14439.6533 245.3608 -203256.7593 2453.8542 0.0000 0.0000 51876.0454 -109716.9190 298.1323 -161592.9644 -109353.7815 298.7246 40.5261 75.0714 760648.2774 16.2888 16.1777 PRESSURE: 2778000 -89.7027 -134.67 -50.975 -134.671 -185.122 78.7147 -50.976 78.7136 -45.8844 GPRESSURE: 2778000 -58.023 -9.00741 -48.0634 -173.416 -118.998 66.0678 -9.0916 129.791 -76.2555 PRESSAVG: 2778000 43.2053 -40.4584 -56.4029 -40.4584 -25.0685 33.1282 -56.4029 33.1281 -13.6255 GPRESSAVG: 2778000 43.2736 -39.7589 -57.691 -40.5106 -26.2732 34.6539 -55.541 32.8771 -12.6776 TIMING: 2778000 CPU: 8852.12, 0.00312458/step Wall: 8852.12, 0.00312458/step, 1.92856 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2778000 4028.9049 20433.8287 14403.3517 254.8576 -203081.2894 2012.6191 0.0000 0.0000 52021.0532 -109926.6742 298.9657 -161947.7274 -109566.1791 298.6841 -106.9029 -84.4256 761284.2766 1.5038 1.4409 PRESSURE: 2778200 219.302 -46.1257 5.07458 -46.1256 -93.08 -95.5005 5.07512 -95.5 178.974 GPRESSURE: 2778200 190.954 6.26922 7.48347 117.451 58.3367 -101.335 81.5747 -13.0077 136.412 PRESSAVG: 2778200 45.6593 -17.6709 -30.3434 -17.6709 -30.9939 8.68932 -30.3434 8.68935 3.67742 GPRESSAVG: 2778200 44.5928 -18.221 -29.6762 -16.8428 -31.6095 9.11786 -28.9682 7.79901 4.5188 TIMING: 2778200 CPU: 8852.75, 0.00313142/step Wall: 8852.75, 0.00313142/step, 1.93261 hours remaining, 234.406250 MB of memory in use. ENERGY: 2778200 3843.9352 20509.0704 14429.9617 258.4291 -203317.4231 2414.6858 0.0000 0.0000 52047.0577 -109814.2831 299.1152 -161861.3409 -109443.1252 298.4168 101.7321 128.5675 761685.2711 6.1143 5.8340 PRESSURE: 2778400 -118.255 -120.722 149.124 -120.721 -78.5351 102.415 149.125 102.415 58.6602 GPRESSURE: 2778400 -49.7006 -49.6252 107.162 -56.8601 -104.202 26.152 152.349 278.323 120.386 PRESSAVG: 2778400 22.1649 -61.7816 -38.0226 -61.7816 0.360002 10.9336 -38.0226 10.9336 2.96423 GPRESSAVG: 2778400 23.1419 -60.5301 -36.6429 -62.4871 0.710255 9.21381 -40.6651 17.7247 2.05454 TIMING: 2778400 CPU: 8853.38, 0.0031523/step Wall: 8853.38, 0.0031523/step, 1.94532 hours remaining, 234.406250 MB of memory in use. ENERGY: 2778400 3937.4146 20533.5530 14476.8137 246.0584 -203336.6372 2381.5796 0.0000 0.0000 52120.7914 -109640.4265 299.5389 -161761.2179 -109282.9226 298.5845 -46.0432 -11.1723 762065.6387 8.4964 8.6356 PRESSURE: 2778600 110.719 -94.7667 66.2611 -94.7675 11.1957 356.447 66.2606 356.446 66.7738 GPRESSURE: 2778600 97.5817 -203.859 74.3008 -206.396 -25.402 339.244 -52.9904 133.415 194.263 PRESSAVG: 2778600 5.02658 -28.8416 -23.3181 -28.8417 1.75038 33.3125 -23.3181 33.3125 20.885 GPRESSAVG: 2778600 5.22022 -30.8922 -24.8617 -25.9493 2.23981 32.7961 -23.4508 28.6811 20.2895 TIMING: 2778600 CPU: 8854, 0.00313706/step Wall: 8854, 0.00313706/step, 1.93574 hours remaining, 234.406250 MB of memory in use. ENERGY: 2778600 3865.2344 20433.7884 14519.9783 261.3202 -203314.6285 2720.6945 0.0000 0.0000 51935.8177 -109577.7950 298.4759 -161513.6128 -109211.2688 298.7955 62.8961 88.8141 760808.6047 9.2207 9.2498 PRESSURE: 2778800 207.216 -171.698 152.172 -171.698 42.006 17.2036 152.173 17.2028 42.6767 GPRESSURE: 2778800 234.179 -209.724 134.686 -98.1491 111.207 59.3701 98.7545 1.55279 32.427 PRESSAVG: 2778800 56.169 -30.5058 -32.414 -30.5057 -64.5972 50.699 -32.414 50.699 4.94204 GPRESSAVG: 2778800 55.4999 -27.4324 -32.864 -33.5101 -64.2454 51.4478 -30.462 50.4003 4.50793 TIMING: 2778800 CPU: 8854.63, 0.00313836/step Wall: 8854.63, 0.00313836/step, 1.93637 hours remaining, 234.406250 MB of memory in use. ENERGY: 2778800 4014.4630 20365.3817 14522.7800 251.6321 -203398.7519 2649.7916 0.0000 0.0000 52017.7159 -109576.9876 298.9465 -161594.7035 -109218.4230 299.2724 97.2997 125.9377 761618.0488 -1.1621 -1.4125 PRESSURE: 2779000 185.543 -134.227 -26.4691 -134.226 -74.6551 -181.948 -26.4678 -181.948 -28.7557 GPRESSURE: 2779000 195.59 -13.2421 -90.1207 -110.255 -54.5304 -171.372 -75.1513 -124.053 15.7377 PRESSAVG: 2779000 -23.9852 -78.8628 -40.714 -78.8628 18.3361 57.5958 -40.7141 57.5958 -5.87791 GPRESSAVG: 2779000 -24.2499 -80.3069 -39.0931 -77.436 18.022 58.8805 -42.1685 56.8004 -6.15643 TIMING: 2779000 CPU: 8855.26, 0.00314216/step Wall: 8855.26, 0.00314216/step, 1.93854 hours remaining, 234.406250 MB of memory in use. ENERGY: 2779000 4012.3957 20536.4370 14446.7630 229.6917 -203126.2112 2535.1228 0.0000 0.0000 52048.8836 -109316.9174 299.1256 -161365.8009 -108960.7990 299.2468 27.3774 52.2657 761316.7087 -3.8423 -4.1281 PRESSURE: 2779200 -28.7398 -109.992 -270.335 -109.993 333.401 -84.8189 -270.336 -84.8182 93.1979 GPRESSURE: 2779200 -1.20756 -101.563 -254.392 -118.626 343.038 -190.235 -271.294 25.3104 159.751 PRESSAVG: 2779200 -4.52026 -58.182 -4.34954 -58.1819 -31.8533 7.43503 -4.34955 7.43502 -28.3214 GPRESSAVG: 2779200 -4.85581 -57.6782 -6.70592 -59.644 -32.7356 5.62036 -2.05837 9.64853 -27.0485 TIMING: 2779200 CPU: 8855.89, 0.00316704/step Wall: 8855.89, 0.00316704/step, 1.95371 hours remaining, 234.406250 MB of memory in use. ENERGY: 2779200 3995.6250 20499.8857 14512.1375 252.1899 -203039.1321 2496.0434 0.0000 0.0000 51966.9825 -109316.2681 298.6550 -161283.2506 -108955.3482 299.6112 132.6195 167.1941 761169.6187 -21.5650 -21.5466 PRESSURE: 2779400 -5.15716 -118.07 56.5834 -118.07 30.3856 -68.1048 56.5831 -68.1036 -26.9705 GPRESSURE: 2779400 -3.54532 -169.508 28.8714 -158.143 21.6483 -88.9635 102.485 -140.049 73.8378 PRESSAVG: 2779400 -34.5101 -56.3272 4.98482 -56.3272 26.2997 -25.1355 4.98485 -25.1355 39.3069 GPRESSAVG: 2779400 -33.9576 -59.7113 6.45939 -55.2233 26.4958 -23.9029 5.18005 -24.3899 38.6309 TIMING: 2779400 CPU: 8856.52, 0.00314863/step Wall: 8856.52, 0.00314863/step, 1.94218 hours remaining, 234.406250 MB of memory in use. ENERGY: 2779400 3998.2913 20509.0148 14409.5275 231.1799 -203001.6431 2418.9784 0.0000 0.0000 52089.7247 -109344.9264 299.3604 -161434.6511 -108991.2005 299.7853 -0.5807 30.6469 761639.4511 10.3655 10.3897 PRESSURE: 2779600 -67.7453 27.8226 -130.713 27.8216 -50.2629 -3.84536 -130.713 -3.84637 -342.197 GPRESSURE: 2779600 -51.1669 -17.3655 -69.9602 79.6737 -47.8834 -51.8345 -231.388 15.9402 -273.095 PRESSAVG: 2779600 -1.97524 -28.1088 -78.9495 -28.1089 28.1854 12.2333 -78.9495 12.2332 -13.5181 GPRESSAVG: 2779600 -2.30949 -24.9953 -78.0701 -27.9945 28.2428 12.6103 -82.2205 10.9639 -13.318 TIMING: 2779600 CPU: 8857.15, 0.00314774/step Wall: 8857.15, 0.00314774/step, 1.94146 hours remaining, 234.406250 MB of memory in use. ENERGY: 2779600 3941.9449 20590.7128 14431.3059 221.7351 -202748.3271 2114.6048 0.0000 0.0000 52288.7382 -109159.2853 300.5041 -161448.0235 -108796.7924 300.0929 -153.4019 -124.0485 761345.5823 4.2307 4.2051 PRESSURE: 2779800 -114.933 72.302 -80.6295 72.3021 -144.243 195.559 -80.6304 195.559 72.7159 GPRESSURE: 2779800 -8.97916 62.2869 -20.5619 55.5909 -216.92 211.323 -84.1445 0.830763 115.723 PRESSAVG: 2779800 -17.9574 -29.4179 -53.3307 -29.4179 -42.2974 -5.17369 -53.3307 -5.17376 2.33396 GPRESSAVG: 2779800 -17.4975 -29.1623 -53.161 -30.624 -42.0696 -5.38958 -50.793 -5.24607 1.77411 TIMING: 2779800 CPU: 8857.78, 0.00313104/step Wall: 8857.78, 0.00313104/step, 1.93098 hours remaining, 234.406250 MB of memory in use. ENERGY: 2779800 4017.3660 20386.4777 14462.3265 258.2026 -202952.6609 2214.5727 0.0000 0.0000 52379.2945 -109234.4209 301.0245 -161613.7154 -108873.2865 300.1911 -62.1535 -36.7255 760876.9331 -19.3070 -19.2643 PRESSURE: 2780000 264.956 -141.708 -132.437 -141.708 199.805 -208.048 -132.436 -208.049 308.999 GPRESSURE: 2780000 254.829 -60.4065 -52.793 -63.0908 307.359 -190.02 -220.239 -298.019 306.114 PRESSAVG: 2780000 40.9202 -42.9221 -26.1453 -42.9222 0.115396 -36.0582 -26.1453 -36.0581 -12.1643 GPRESSAVG: 2780000 39.3833 -41.6337 -26.9892 -41.0661 1.06745 -37.9503 -25.1414 -38.4238 -11.0917 TIMING: 2780000 CPU: 8858.41, 0.00313919/step Wall: 8858.41, 0.00313919/step, 1.93583 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2780000 3953.4505 20543.2115 14457.3006 255.4030 -203015.6499 2529.3907 0.0000 0.0000 52146.0778 -109130.8157 299.6842 -161276.8936 -108775.5160 300.0884 257.9199 289.4339 762157.0860 9.6238 9.7864 PRESSURE: 2780200 393.498 -92.3377 245.1 -92.3378 274.92 -75.0865 245.1 -75.086 471.541 GPRESSURE: 2780200 483.075 -169.549 264.299 -95.5227 307.222 -31.9534 248.467 89.075 458.583 PRESSAVG: 2780200 25.6161 -74.5551 -21.0936 -74.5551 -25.5661 -23.5424 -21.0936 -23.5423 1.96828 GPRESSAVG: 2780200 26.1429 -74.7953 -21.8249 -75.9609 -25.9327 -20.7401 -23.2621 -19.4507 1.47896 TIMING: 2780200 CPU: 8859.04, 0.00316481/step Wall: 8859.04, 0.00316481/step, 1.95146 hours remaining, 234.406250 MB of memory in use. ENERGY: 2780200 3928.3064 20647.5561 14475.2280 252.6681 -203499.9869 2745.5300 0.0000 0.0000 52347.8360 -109102.8624 300.8437 -161450.6984 -108737.1250 300.6081 379.9863 416.2932 759413.5250 0.6728 0.5631 LDB: ============= START OF LOAD BALANCING ============== 8871.46 LDB: ============== END OF LOAD BALANCING =============== 8871.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8871.46 LDB: ============= START OF LOAD BALANCING ============== 8871.78 LDB: Largest compute 7066 load 0.031085 is 15.9% of average load 0.195465 LDB: Average compute 0.004393 is 2.2% of average load 0.195465 LDB: TIME 8871.78 LOAD: AVG 0.195465 MAX 0.217193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 8871.78 LOAD: AVG 0.195465 MAX 0.217193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: TIME 8871.78 LOAD: AVG 0.195465 MAX 0.217193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: ============== END OF LOAD BALANCING =============== 8871.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8871.79 PRESSURE: 2780400 -457.638 -45.3782 -187.63 -45.3782 -643.485 176.784 -187.63 176.784 -430.409 GPRESSURE: 2780400 -439.744 -106.509 -192.603 -129.393 -543.61 226.677 -200 239.393 -464.065 PRESSAVG: 2780400 0.722549 -21.3328 4.7659 -21.3327 -1.16709 -23.6108 4.766 -23.6108 10.0194 GPRESSAVG: 2780400 1.56339 -24.5724 5.73535 -21.7502 -1.10599 -25.8716 5.20159 -24.3238 8.96878 TIMING: 2780400 CPU: 8859.68, 0.00321233/step Wall: 8859.68, 0.00321233/step, 1.98058 hours remaining, 232.589844 MB of memory in use. ENERGY: 2780400 4079.7579 20707.2266 14434.9295 235.1385 -202994.7015 2265.9682 0.0000 0.0000 52334.5253 -108937.1555 300.7672 -161271.6808 -108580.4889 300.5766 -510.5107 -482.4730 762136.1209 3.1916 3.1421 PRESSURE: 2780600 194.217 -16.4956 -246.12 -16.4958 58.702 -97.6297 -246.12 -97.6297 339.559 GPRESSURE: 2780600 180.253 1.02209 -182.714 53.2998 98.1315 0.673228 -228.129 -116.916 377.971 PRESSAVG: 2780600 -12.4238 -46.7942 -1.30577 -46.7942 -0.43846 43.0536 -1.30582 43.0536 12.9089 GPRESSAVG: 2780600 -13.2518 -45.2006 -1.80318 -47.169 -0.91723 44.7619 0.0883676 40.2723 14.148 TIMING: 2780600 CPU: 8860.31, 0.00314126/step Wall: 8860.31, 0.00314126/step, 1.93658 hours remaining, 232.589844 MB of memory in use. ENERGY: 2780600 4001.1438 20746.0026 14377.0952 244.6764 -203207.1884 2525.1743 0.0000 0.0000 52292.8846 -109020.2115 300.5279 -161313.0961 -108665.7127 300.6894 197.4927 218.7854 762340.3814 0.0156 -0.0070 PRESSURE: 2780800 463.597 -47.9454 219.931 -47.9452 110.067 -119.766 219.931 -119.766 -139.972 GPRESSURE: 2780800 409.194 -41.6355 98.6619 -180.804 158.721 -157.501 309.08 -8.81523 -39.4403 PRESSAVG: 2780800 -43.9631 -69.1189 16.0074 -69.1188 5.9991 9.00669 16.0074 9.00673 -5.62417 GPRESSAVG: 2780800 -44.2001 -69.3248 14.4559 -68.6637 5.52135 10.4027 14.1224 9.60388 -5.07996 TIMING: 2780800 CPU: 8860.94, 0.00315381/step Wall: 8860.94, 0.00315381/step, 1.94415 hours remaining, 232.847656 MB of memory in use. ENERGY: 2780800 4029.5972 20787.0538 14421.4578 238.4395 -203423.6984 2881.5693 0.0000 0.0000 52132.8909 -108932.6899 299.6084 -161065.5808 -108575.8460 300.2819 144.5640 176.1580 761522.0017 -14.5294 -14.5862 PRESSURE: 2781000 114.855 -226.463 -97.0838 -226.464 -3.31918 -11.9115 -97.0844 -11.9115 -144.839 GPRESSURE: 2781000 155.454 -302.847 -64.5617 -178.492 89.7384 -0.938153 -165.143 -111.026 -193.614 PRESSAVG: 2781000 1.13224 -51.4028 -3.90353 -51.4028 32.7707 -19.7685 -3.90355 -19.7684 -16.88 GPRESSAVG: 2781000 0.613161 -49.5332 -1.80119 -53.3792 33.2096 -20.7434 -4.48154 -19.0633 -16.6688 TIMING: 2781000 CPU: 8861.57, 0.00313064/step Wall: 8861.57, 0.00313064/step, 1.92969 hours remaining, 232.847656 MB of memory in use. ENERGY: 2781000 4017.6165 20576.5878 14356.4447 238.6998 -202904.0869 2336.2239 0.0000 0.0000 52150.2807 -109228.2336 299.7084 -161378.5142 -108872.7106 300.2845 -11.1010 17.1928 763136.0591 5.6743 5.7180 PRESSURE: 2781200 -443.434 -110.103 -180.397 -110.103 24.2044 -46.5475 -180.397 -46.5478 45.7722 GPRESSURE: 2781200 -377.073 -48.313 -104.804 -108.886 -24.5026 -5.63432 -205.233 23.6949 118.87 PRESSAVG: 2781200 -4.09221 -40.226 11.4437 -40.226 1.44688 -7.51826 11.4437 -7.51835 2.49022 GPRESSAVG: 2781200 -3.66941 -41.0622 12.1735 -36.8601 0.260448 -7.60278 13.8438 -8.68491 2.69706 TIMING: 2781200 CPU: 8862.2, 0.00314637/step Wall: 8862.2, 0.00314637/step, 1.93921 hours remaining, 232.847656 MB of memory in use. ENERGY: 2781200 4079.5384 20518.0767 14402.7732 231.9979 -203083.8834 2321.3602 0.0000 0.0000 52066.6577 -109463.4792 299.2278 -161530.1370 -109102.0078 299.4271 -124.4859 -94.2352 761231.2214 -0.0517 -0.2373 PRESSURE: 2781400 138.69 -159.519 19.3619 -159.519 -124.108 23.2625 19.3619 23.2627 -1.76247 GPRESSURE: 2781400 159.7 -210.044 -33.3274 -158.872 -53.241 40.7182 148.866 -18.6266 -4.1872 PRESSAVG: 2781400 41.0862 -19.5957 -62.0067 -19.5958 0.852101 -8.91885 -62.0067 -8.91883 37.9077 GPRESSAVG: 2781400 41.9776 -19.9341 -63.29 -21.4274 -0.44874 -11.3683 -61.3802 -7.82638 38.5625 TIMING: 2781400 CPU: 8862.83, 0.00316481/step Wall: 8862.83, 0.00316481/step, 1.9504 hours remaining, 232.847656 MB of memory in use. ENERGY: 2781400 4026.6778 20507.2439 14408.7537 247.8810 -203064.0222 2404.7706 0.0000 0.0000 52207.8344 -109260.8607 300.0391 -161468.6951 -108900.3241 300.0721 4.2730 34.0905 761367.0901 26.6153 26.6971 PRESSURE: 2781600 137.029 -1.65944 -22.746 -1.65953 -222.07 -72.4773 -22.7459 -72.4776 -271.461 GPRESSURE: 2781600 150.983 53.8814 -64.1076 -44.9229 -180.008 34.6385 -97.1327 5.02835 -249.115 PRESSAVG: 2781600 -44.8225 -44.5519 -28.5621 -44.5519 37.7542 -16.5473 -28.5621 -16.5473 0.328231 GPRESSAVG: 2781600 -45.4606 -44.0575 -29.0324 -45.1735 39.4002 -17.2806 -31.4815 -14.7493 -0.761109 TIMING: 2781600 CPU: 8863.46, 0.00316205/step Wall: 8863.46, 0.00316205/step, 1.94852 hours remaining, 232.847656 MB of memory in use. ENERGY: 2781600 4017.4129 20573.9438 14397.6202 242.0836 -203137.1662 2365.6730 0.0000 0.0000 52168.7797 -109371.6531 299.8147 -161540.4328 -109007.4252 299.9681 -118.8344 -92.7132 759804.9274 -2.2467 -2.2738 PRESSURE: 2781800 -161.929 -17.196 -114.912 -17.1957 -182.817 28.2828 -114.912 28.2828 -5.19788 GPRESSURE: 2781800 -77.4527 0.139232 -121.654 49.4303 -124.341 34.8638 55.7183 -63.3894 -69.4607 PRESSAVG: 2781800 10.2835 -54.5987 13.3095 -54.5987 -29.5116 29.6755 13.3095 29.6756 36.1031 GPRESSAVG: 2781800 11.1437 -52.7843 12.674 -54.8934 -29.6067 31.5874 14.8799 27.5228 35.2714 TIMING: 2781800 CPU: 8864.09, 0.00313824/step Wall: 8864.09, 0.00313824/step, 1.93368 hours remaining, 232.847656 MB of memory in use. ENERGY: 2781800 4007.1199 20516.8441 14458.3801 246.2564 -203245.4276 2415.6042 0.0000 0.0000 52307.6449 -109293.5781 300.6128 -161601.2230 -108925.1963 299.7577 -116.6479 -90.4181 761100.4097 5.6250 5.6028 PRESSURE: 2782000 -18.1854 127.801 77.8739 127.801 273.876 114.822 77.8742 114.822 187.041 GPRESSURE: 2782000 -47.2059 20.7444 5.89307 148.435 367.874 85.1289 143.913 148.981 208.663 PRESSAVG: 2782000 38.7719 -15.2063 62.2773 -15.2062 -50 -14.7407 62.2774 -14.7407 -12.704 GPRESSAVG: 2782000 38.9602 -15.8771 64.0195 -16.1039 -49.3339 -15.1066 61.2103 -14.7368 -12.9704 TIMING: 2782000 CPU: 8864.71, 0.00312576/step Wall: 8864.71, 0.00312576/step, 1.92581 hours remaining, 232.847656 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: 2782000 4018.2428 20544.5072 14473.6034 259.0972 -203406.1732 2611.6768 0.0000 0.0000 52487.9842 -109011.0616 301.6492 -161499.0459 -108644.6671 300.3321 147.5771 176.4436 760161.6632 -7.9774 -7.7814 PRESSURE: 2782200 113.756 85.3262 147.569 85.3262 -362.345 150.52 147.57 150.52 -356.673 GPRESSURE: 2782200 34.5944 214.936 93.424 23.4448 -331.164 125.834 172.333 121.594 -219.637 PRESSAVG: 2782200 -50.4232 -12.3493 37.0118 -12.3493 4.4332 30.0714 37.0117 30.0715 -18.124 GPRESSAVG: 2782200 -51.6035 -13.7305 36.9322 -9.93122 4.13921 28.226 38.7159 31.4891 -17.1114 TIMING: 2782200 CPU: 8865.34, 0.00312862/step Wall: 8865.34, 0.00312862/step, 1.92741 hours remaining, 232.847656 MB of memory in use. ENERGY: 2782200 4016.6748 20503.7543 14377.1529 247.3279 -203165.4762 2584.4713 0.0000 0.0000 52354.9111 -109081.1839 300.8844 -161436.0950 -108718.7966 300.7852 -201.7540 -172.0691 762025.2521 -21.3714 -21.5252 PRESSURE: 2782400 -123.772 84.3912 29.472 84.391 -140.642 -188.171 29.472 -188.172 -363.363 GPRESSURE: 2782400 -94.2959 123.854 90.5599 34.3993 -58.467 -158.717 -86.3215 -206.756 -367.656 PRESSAVG: 2782400 -43.9162 -67.9089 -11.2533 -67.9089 45.3421 -52.3689 -11.2533 -52.3689 8.85234 GPRESSAVG: 2782400 -43.9975 -70.1983 -12.1306 -69.2596 44.3638 -51.0129 -10.3438 -52.0576 9.83673 TIMING: 2782400 CPU: 8865.97, 0.00313631/step Wall: 8865.97, 0.00313631/step, 1.93197 hours remaining, 232.847656 MB of memory in use. ENERGY: 2782400 3950.3258 20586.4187 14433.2384 252.7808 -203188.6998 2672.1295 0.0000 0.0000 52175.1671 -109118.6395 299.8514 -161293.8066 -108749.6153 300.5960 -209.2591 -173.4731 761760.3944 3.4261 3.4010 PRESSURE: 2782600 -13.3735 -125.489 3.0788 -125.489 -131.442 75.3322 3.07957 75.3322 40.9828 GPRESSURE: 2782600 -18.1209 -74.533 106.25 1.21089 -100.108 115.122 -235.475 63.2649 125.211 PRESSAVG: 2782600 39.5912 -34.1832 13.1496 -34.1833 -45.2877 78.6679 13.1495 78.668 5.36059 GPRESSAVG: 2782600 40.3913 -31.5256 13.504 -34.2207 -45.4942 79.9135 11.4008 77.0218 4.60099 TIMING: 2782600 CPU: 8866.6, 0.00317253/step Wall: 8866.6, 0.00317253/step, 1.9541 hours remaining, 232.847656 MB of memory in use. ENERGY: 2782600 4052.9410 20549.3456 14451.7983 257.2768 -202936.6337 2374.2386 0.0000 0.0000 52238.5737 -109012.4598 300.2158 -161251.0335 -108646.2767 300.6567 -34.6109 2.3273 760045.3893 -0.1120 -0.1673 PRESSURE: 2782800 292.303 12.2451 -46.6964 12.2457 -195.228 -73.4009 -46.697 -73.4012 92.1813 GPRESSURE: 2782800 294.631 32.8385 7.44827 62.1193 -142.739 -39.3523 -120.984 -67.1274 104.065 PRESSAVG: 2782800 7.71493 -102.791 16.3752 -102.791 35.1438 71.542 16.3752 71.5419 9.83792 GPRESSAVG: 2782800 7.14344 -101.13 16.5045 -102.754 35.3293 70.8337 17.736 72.831 10.6576 TIMING: 2782800 CPU: 8867.23, 0.00314161/step Wall: 8867.23, 0.00314161/step, 1.93488 hours remaining, 232.847656 MB of memory in use. ENERGY: 2782800 4031.2903 20539.1186 14467.8980 265.7762 -203124.3862 2584.3449 0.0000 0.0000 52077.3761 -109158.5822 299.2894 -161235.9583 -108790.5453 299.9935 63.0853 85.3190 759627.4171 17.5655 17.7101 PRESSURE: 2783000 -24.5163 -344.319 -26.142 -344.319 -12.8675 -29.7793 -26.1417 -29.781 15.0168 GPRESSURE: 2783000 -108.461 -496.041 54.9009 -327.904 45.9052 39.4803 -28.3006 -14.9673 100.811 PRESSAVG: 2783000 9.68783 -78.0443 30.1836 -78.0443 23.7333 25.7758 30.1835 25.7758 4.85662 GPRESSAVG: 2783000 9.93134 -81.4127 29.0249 -79.2291 24.2557 25.7414 28.8643 25.8269 4.42068 TIMING: 2783000 CPU: 8867.86, 0.00315649/step Wall: 8867.86, 0.00315649/step, 1.94387 hours remaining, 232.847656 MB of memory in use. ENERGY: 2783000 3939.6274 20412.3252 14407.0521 263.8969 -202833.6296 2393.0289 0.0000 0.0000 52338.0722 -109079.6268 300.7876 -161417.6990 -108711.6149 300.0344 -7.4557 12.7520 760342.4351 12.7592 12.8693 PRESSURE: 2783200 20.7243 78.7561 0.384406 78.756 -120.941 187.336 0.385671 187.336 -260.386 GPRESSURE: 2783200 8.21584 45.3719 49.9975 67.5411 -58.8268 197.884 88.1853 145.867 -201.528 PRESSAVG: 2783200 -14.4825 -75.1392 1.44312 -75.1393 30.0242 14.2691 1.44313 14.2692 -12.2085 GPRESSAVG: 2783200 -14.8991 -73.1729 3.36691 -75.7982 30.0819 14.1 0.857223 13.2594 -11.8998 TIMING: 2783200 CPU: 8868.49, 0.00312838/step Wall: 8868.49, 0.00312838/step, 1.92639 hours remaining, 232.847656 MB of memory in use. ENERGY: 2783200 4001.3288 20569.4268 14502.1865 243.9121 -202823.2560 2339.3342 0.0000 0.0000 52194.3485 -108972.7190 299.9616 -161167.0675 -108607.2330 300.7022 -120.2009 -84.0462 760294.2751 1.1111 1.0943 PRESSURE: 2783400 -203.733 -128.692 321.999 -128.692 -11.232 130.514 321.999 130.514 -173.351 GPRESSURE: 2783400 -143.901 -177.49 308.772 -92.416 0.427261 158.184 242.156 66.4413 -150.301 PRESSAVG: 2783400 4.0395 -52.1316 1.24587 -52.1315 -43.8047 24.3107 1.24592 24.3107 -13.3877 GPRESSAVG: 2783400 3.83276 -52.1654 0.124486 -51.0534 -44.119 23.7389 3.32721 26.2856 -12.864 TIMING: 2783400 CPU: 8869.11, 0.0031346/step Wall: 8869.11, 0.0031346/step, 1.93004 hours remaining, 232.847656 MB of memory in use. ENERGY: 2783400 4029.5192 20670.5197 14502.6152 267.4786 -202725.6083 2180.8406 0.0000 0.0000 52263.0169 -108811.6182 300.3563 -161074.6351 -108459.4580 300.6876 -129.4389 -97.9247 761158.3280 -17.7176 -17.7167 PRESSURE: 2783600 -32.9923 -281.114 -192.107 -281.113 304.839 -41.6531 -192.107 -41.653 -178.289 GPRESSURE: 2783600 -46.7655 -258.73 -111.403 -279.584 447.339 -66.6331 -142.649 -15.6449 -222.002 PRESSAVG: 2783600 -13.7046 -64.6629 -21.9388 -64.663 -2.63425 7.75019 -21.9388 7.75009 -5.72366 GPRESSAVG: 2783600 -12.6324 -64.5244 -21.1259 -63.871 -2.63757 8.7068 -24.2959 7.40614 -7.0651 TIMING: 2783600 CPU: 8869.74, 0.00312317/step Wall: 8869.74, 0.00312317/step, 1.92283 hours remaining, 232.847656 MB of memory in use. ENERGY: 2783600 3942.8401 20463.4777 14475.9934 268.7103 -203133.6114 2446.6240 0.0000 0.0000 52260.6321 -109275.3338 300.3426 -161535.9659 -108899.7047 300.8493 31.1861 59.5238 761426.4440 -7.3542 -7.4450 PRESSURE: 2783800 -95.666 -205.1 -32.009 -205.1 -447.109 -47.2751 -32.009 -47.2736 126.584 GPRESSURE: 2783800 -60.2153 -216.582 2.609 -153.764 -419.324 -103.577 -159.568 -121.795 147.705 PRESSAVG: 2783800 -38.452 -125.161 -87.064 -125.161 30.7041 5.81936 -87.064 5.81944 -17.1451 GPRESSAVG: 2783800 -38.7889 -127.425 -88.3466 -125.087 29.9681 5.23153 -86.6761 3.78723 -16.5518 TIMING: 2783800 CPU: 8870.37, 0.00314974/step Wall: 8870.37, 0.00314974/step, 1.93902 hours remaining, 232.847656 MB of memory in use. ENERGY: 2783800 4022.5050 20570.8346 14416.3861 257.3557 -203047.1081 2405.3682 0.0000 0.0000 51687.9450 -109686.7135 297.0513 -161374.6585 -109331.0960 299.4066 -138.7305 -110.6112 760328.8033 -8.2977 -8.4575 PRESSURE: 2784000 -174.675 -264.879 207.663 -264.879 -374.729 -96.7603 207.664 -96.7606 33.4303 GPRESSURE: 2784000 -154.028 -181.948 194.885 -220.171 -244.728 29.7791 208.206 -117.478 -12.1087 PRESSAVG: 2784000 -33.6199 -111.411 29.6334 -111.411 9.38612 -7.43065 29.6334 -7.43072 5.5452 GPRESSAVG: 2784000 -34.4053 -109.75 27.818 -109.758 10.1262 -7.03719 31.3704 -7.49737 5.61233 TIMING: 2784000 CPU: 8871, 0.00313055/step Wall: 8871, 0.00313055/step, 1.92703 hours remaining, 232.847656 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: 2784000 4035.9253 20530.8340 14492.5999 242.9860 -203190.2438 2217.9320 0.0000 0.0000 52089.8407 -109580.1259 299.3610 -161669.9666 -109228.0367 299.0428 -171.9912 -136.9550 759494.4206 -6.2295 -6.2222 PRESSURE: 2784200 -292.718 -277.23 -185.494 -277.23 -208.093 -226.617 -185.494 -226.616 -327.997 GPRESSURE: 2784200 -295.095 -333.294 -101.166 -331.683 -134.026 -193.712 -126.814 51.8379 -303.702 PRESSAVG: 2784200 16.4683 -123.58 19.213 -123.58 18.4309 -19.8535 19.213 -19.8536 -32.3603 GPRESSAVG: 2784200 15.9038 -123.622 21.4485 -126.719 19.0279 -18.4763 19.3539 -19.2855 -32.4112 TIMING: 2784200 CPU: 8871.62, 0.00313819/step Wall: 8871.62, 0.0031382/step, 1.93156 hours remaining, 232.847656 MB of memory in use. ENERGY: 2784200 3949.3854 20505.1888 14438.4898 250.9162 -202749.5940 2037.0249 0.0000 0.0000 51840.5942 -109727.9948 297.9286 -161568.5890 -109363.7378 298.9603 -276.2693 -244.2744 760292.4266 0.8463 0.8402 LDB: ============= START OF LOAD BALANCING ============== 8884.04 LDB: ============== END OF LOAD BALANCING =============== 8884.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8884.05 LDB: ============= START OF LOAD BALANCING ============== 8884.36 LDB: Largest compute 7047 load 0.031128 is 15.9% of average load 0.195315 LDB: Average compute 0.004391 is 2.2% of average load 0.195315 LDB: TIME 8884.36 LOAD: AVG 0.195315 MAX 0.21564 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.969 MB LDB: TIME 8884.37 LOAD: AVG 0.195315 MAX 0.21564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: TIME 8884.37 LOAD: AVG 0.195315 MAX 0.21564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: ============== END OF LOAD BALANCING =============== 8884.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8884.37 PRESSURE: 2784400 -103.963 -201.354 181.472 -201.353 -131.731 -13.5663 181.472 -13.567 -282.603 GPRESSURE: 2784400 -52.0323 -203.354 197.489 -148.357 -98.9577 -8.92063 129.533 -2.72182 -306.212 PRESSAVG: 2784400 49.2263 -110.916 0.909468 -110.916 -22.2335 10.5299 0.909423 10.5299 -2.01081 GPRESSAVG: 2784400 48.8242 -109.748 0.490653 -108.45 -21.5576 8.86485 -0.410372 10.8569 -2.31315 TIMING: 2784400 CPU: 8872.27, 0.00321565/step Wall: 8872.27, 0.00321565/step, 1.97906 hours remaining, 233.363281 MB of memory in use. ENERGY: 2784400 4012.6092 20515.3973 14446.2212 256.8891 -203655.6466 2532.4049 0.0000 0.0000 52183.3575 -109708.7674 299.8985 -161892.1249 -109345.3638 298.9058 -172.7655 -152.4007 759687.8567 8.3273 8.3178 PRESSURE: 2784600 -472.104 50.3757 -77.2847 50.3755 -31.6086 -81.8465 -77.285 -81.8465 -286.839 GPRESSURE: 2784600 -352.331 99.9607 -60.2225 -82.7749 7.33691 -22.6042 -53.0207 -10.697 -366.758 PRESSAVG: 2784600 26.8979 -69.592 -8.48746 -69.592 -46.8569 -22.9086 -8.48747 -22.9086 -9.44482 GPRESSAVG: 2784600 27.4842 -69.9522 -8.92426 -70.441 -48.104 -20.9535 -7.09749 -24.3007 -8.93351 TIMING: 2784600 CPU: 8872.89, 0.00313722/step Wall: 8872.89, 0.00313723/step, 1.93061 hours remaining, 233.687500 MB of memory in use. ENERGY: 2784600 3928.9070 20485.0774 14444.7651 243.2837 -203387.1640 2379.1295 0.0000 0.0000 52112.4747 -109793.5266 299.4911 -161906.0013 -109427.2850 299.2081 -263.5172 -237.2506 761311.5726 -9.8013 -9.8511 PRESSURE: 2784800 144.615 119.11 66.7121 119.111 -70.3433 -179.502 66.7127 -179.501 231.307 GPRESSURE: 2784800 132.157 69.1567 -5.903 142.287 -1.84976 -35.8372 -14.0941 -181.595 247.844 PRESSAVG: 2784800 84.4691 -36.2201 -25.283 -36.2201 -78.1237 -32.1202 -25.283 -32.1201 -46.3532 GPRESSAVG: 2784800 85.3853 -36.1417 -25.6264 -35.4143 -77.8813 -33.0264 -22.5119 -29.8023 -46.7161 TIMING: 2784800 CPU: 8873.52, 0.00313247/step Wall: 8873.52, 0.00313247/step, 1.92751 hours remaining, 233.886719 MB of memory in use. ENERGY: 2784800 3939.8673 20324.2443 14454.9752 259.1388 -203427.8238 2585.5475 0.0000 0.0000 52322.6220 -109541.4287 300.6988 -161864.0506 -109186.2173 298.9736 101.8595 126.0503 762333.1186 -13.3359 -13.0707 PRESSURE: 2785000 -346.388 110.898 -94.8407 110.898 -326.108 225.478 -94.8402 225.479 42.8288 GPRESSURE: 2785000 -334.34 3.11886 -147.249 1.75092 -259.221 236.696 -142.714 65.9896 60.6943 PRESSAVG: 2785000 35.7711 -49.3017 3.38788 -49.3017 -48.4997 26.4862 3.38785 26.4862 9.81392 GPRESSAVG: 2785000 35.0118 -49.9698 5.31239 -50.9529 -48.9298 25.0332 -1.63255 26.5193 10.7782 TIMING: 2785000 CPU: 8874.14, 0.00312241/step Wall: 8874.14, 0.00312241/step, 1.92115 hours remaining, 233.886719 MB of memory in use. ENERGY: 2785000 3982.8777 20462.6517 14442.5298 239.9513 -202885.4642 2126.6671 0.0000 0.0000 52085.8350 -109544.9517 299.3380 -161630.7867 -109186.2011 299.6492 -209.8893 -177.6222 761126.1767 -0.9715 -1.0466 PRESSURE: 2785200 -282 28.5189 91.133 28.5185 -227.978 -70.8032 91.1322 -70.8026 -445.196 GPRESSURE: 2785200 -179.787 -8.19391 149.558 -8.47008 -233.824 -139.461 -85.1779 -49.7069 -453.735 PRESSAVG: 2785200 -16.6189 -42.9738 48.9765 -42.9738 3.95329 -56.426 48.9765 -56.426 -3.00648 GPRESSAVG: 2785200 -17.4529 -44.3328 49.0855 -41.8979 4.20338 -53.6406 51.4998 -58.2299 -3.11588 TIMING: 2785200 CPU: 8874.77, 0.00312584/step Wall: 8874.77, 0.00312584/step, 1.92308 hours remaining, 233.886719 MB of memory in use. ENERGY: 2785200 4024.6517 20374.2091 14405.9190 269.4295 -202841.3690 2206.1968 0.0000 0.0000 52096.0110 -109464.9518 299.3965 -161560.9628 -109103.3490 299.5597 -318.3915 -289.1154 761510.9552 -5.2240 -5.4551 PRESSURE: 2785400 -21.1504 108.782 98.7097 108.783 108.519 146.781 98.709 146.781 -71.0497 GPRESSURE: 2785400 -28.1713 162.842 141.149 14.0934 89.6231 125.311 142.037 127.807 28.9692 PRESSAVG: 2785400 82.5621 -57.5265 1.86277 -57.5265 -80.3865 -33.3335 1.86277 -33.3335 12.6128 GPRESSAVG: 2785400 83.792 -56.2169 1.65202 -56.6489 -80.6961 -34.0498 0.838793 -30.4376 11.5525 TIMING: 2785400 CPU: 8875.39, 0.00311114/step Wall: 8875.39, 0.00311114/step, 1.91387 hours remaining, 233.957031 MB of memory in use. ENERGY: 2785400 4003.6410 20455.6195 14390.5073 247.6185 -203515.3618 2731.9782 0.0000 0.0000 52112.4812 -109573.5162 299.4911 -161685.9974 -109224.7811 299.6383 5.4395 30.1403 760865.5500 4.9295 4.8828 PRESSURE: 2785600 -34.3343 -201.45 112.466 -201.45 231.016 -169.73 112.467 -169.728 -310.746 GPRESSURE: 2785600 -58.915 -259.481 45.3696 -120.175 283.137 -133.276 101.319 -143.014 -232.663 PRESSAVG: 2785600 29.9392 -33.6474 -24.0599 -33.6474 12.042 -3.27786 -24.0599 -3.27787 -11.8983 GPRESSAVG: 2785600 28.2994 -34.5266 -25.2192 -32.9494 12.568 -3.29468 -21.6507 -5.89625 -11.0358 TIMING: 2785600 CPU: 8876.02, 0.00312439/step Wall: 8876.02, 0.00312439/step, 1.92184 hours remaining, 233.957031 MB of memory in use. ENERGY: 2785600 3997.8805 20511.1346 14448.0554 240.7847 -203660.7204 3010.1931 0.0000 0.0000 51885.7893 -109566.8828 298.1883 -161452.6721 -109202.3952 299.1503 -38.0214 -2.8137 760452.7724 10.0276 9.9439 PRESSURE: 2785800 362.152 -56.0113 44.9617 -56.0111 -20.167 -311.789 44.9612 -311.79 187.81 GPRESSURE: 2785800 280.188 66.3108 72.4198 28.8708 125.793 -192.075 -21.3807 -113.69 221.616 PRESSAVG: 2785800 -1.38967 -23.4368 -38.3151 -23.4368 18.4419 -55.6061 -38.3151 -55.6061 0.451842 GPRESSAVG: 2785800 -1.32007 -21.0175 -39.3054 -25.7981 18.136 -54.9771 -39.8735 -54.5723 0.110469 TIMING: 2785800 CPU: 8876.65, 0.0031429/step Wall: 8876.65, 0.0031429/step, 1.93306 hours remaining, 233.957031 MB of memory in use. ENERGY: 2785800 3916.7018 20482.0855 14367.6888 256.4359 -203705.5022 2729.2471 0.0000 0.0000 52261.5870 -109691.7559 300.3481 -161953.3430 -109324.9778 299.5351 176.5983 209.1994 759708.8558 5.8347 5.6421 PRESSURE: 2786000 -88.4184 -188.826 -380.791 -188.827 -78.3478 -7.96569 -380.791 -7.96538 266.207 GPRESSURE: 2786000 -12.5211 -124.631 -306.913 -172.984 -91.7328 -57.2559 -216.938 7.8788 276.827 PRESSAVG: 2786000 18.1188 -9.48798 -2.92429 -9.48795 -12.7286 -22.589 -2.9243 -22.589 21.8474 GPRESSAVG: 2786000 18.9645 -10.9831 -1.8465 -8.61348 -12.9022 -23.0078 -0.656975 -20.0353 21.1215 TIMING: 2786000 CPU: 8877.28, 0.0031762/step Wall: 8877.28, 0.0031762/step, 1.95336 hours remaining, 233.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2786000 3995.9825 20619.9279 14441.1935 253.5204 -203764.7120 2561.9156 0.0000 0.0000 51994.7915 -109897.3805 298.8148 -161892.1720 -109535.1615 298.7170 33.1470 57.5244 761272.9190 9.0792 9.0613 PRESSURE: 2786200 -235.249 -7.92903 56.0594 -7.92907 -18.5189 61.959 56.0596 61.9594 -312.464 GPRESSURE: 2786200 -95.4937 68.9999 34.4691 -56.2668 -42.5321 132.211 -93.1335 -75.7288 -363.455 PRESSAVG: 2786200 -1.30401 -41.7711 -9.93511 -41.7711 -38.9742 -12.9155 -9.93511 -12.9156 -22.8654 GPRESSAVG: 2786200 -0.393373 -40.8055 -9.73991 -42.5996 -40.3557 -13.3299 -12.5358 -16.7402 -21.6022 TIMING: 2786200 CPU: 8877.91, 0.00312766/step Wall: 8877.91, 0.00312766/step, 1.92334 hours remaining, 233.957031 MB of memory in use. ENERGY: 2786200 4007.6224 20490.5755 14455.4021 232.0571 -204089.7899 2823.2562 0.0000 0.0000 52033.5566 -110047.3201 299.0376 -162080.8766 -109685.8394 298.8210 -188.7439 -167.1601 762488.7256 -21.0479 -20.7838 PRESSURE: 2786400 41.5575 -192.833 254.437 -192.833 78.2193 -7.50101 254.437 -7.50207 -160.543 GPRESSURE: 2786400 54.614 -123.624 296.387 -45.1482 54.4327 9.28791 232.328 -102.775 -75.6277 PRESSAVG: 2786400 60.3618 -48.681 -31.0968 -48.681 -28.2257 20.434 -31.0968 20.434 22.648 GPRESSAVG: 2786400 60.417 -51.2413 -30.5408 -45.557 -27.516 20.8547 -31.3733 22.5915 22.8273 TIMING: 2786400 CPU: 8878.53, 0.00314037/step Wall: 8878.53, 0.00314037/step, 1.93098 hours remaining, 233.957031 MB of memory in use. ENERGY: 2786400 3949.9773 20479.8092 14315.1448 244.2393 -204027.9688 2892.9003 0.0000 0.0000 51933.7058 -110212.1921 298.4637 -162145.8979 -109845.6681 298.3556 -13.5887 11.1397 761797.7524 18.2614 18.5761 PRESSURE: 2786600 74.6247 -266.66 251.943 -266.66 -595.054 390.278 251.943 390.278 -88.2545 GPRESSURE: 2786600 116.435 -327.848 216.149 -274.911 -475.595 349.506 241.465 230.189 -191.707 PRESSAVG: 2786600 14.2335 -17.2158 19.5519 -17.2158 35.2642 15.7865 19.552 15.7864 4.33185 GPRESSAVG: 2786600 14.4312 -15.2365 17.9199 -19.2909 35.8651 16.2354 20.1009 14.0315 3.76308 TIMING: 2786600 CPU: 8879.16, 0.00314313/step Wall: 8879.16, 0.00314313/step, 1.9325 hours remaining, 233.957031 MB of memory in use. ENERGY: 2786600 3978.8485 20415.0984 14391.1277 242.2728 -203859.8580 2520.4907 0.0000 0.0000 51857.2020 -110454.8180 298.0241 -162312.0200 -110098.5093 297.9997 -202.8946 -183.6222 760652.3846 17.9432 18.0198 PRESSURE: 2786800 -399.739 -142.114 -188.789 -142.114 -88.814 58.4545 -188.789 58.4552 -355.939 GPRESSURE: 2786800 -271.078 -99.3198 -216.292 -251.776 -142.843 6.34566 -84.31 10.8816 -322.854 PRESSAVG: 2786800 23.6881 -31.7739 17.2883 -31.7739 -33.4151 -40.9892 17.2882 -40.9893 2.89151 GPRESSAVG: 2786800 23.4456 -32.0495 17.8049 -31.7523 -33.2562 -41.9936 18.1704 -40.0355 3.44243 TIMING: 2786800 CPU: 8879.79, 0.00313965/step Wall: 8879.79, 0.00313965/step, 1.93019 hours remaining, 233.957031 MB of memory in use. ENERGY: 2786800 3951.8437 20520.6826 14358.9723 261.4153 -203310.2936 2168.6428 0.0000 0.0000 51794.1255 -110254.6114 297.6616 -162048.7369 -109898.0701 297.7594 -281.4976 -245.5917 760964.5357 -2.2785 -2.1227 PRESSURE: 2787000 -135.192 -104.415 21.7795 -104.414 -20.1483 -63.7905 21.7799 -63.7916 -207.788 GPRESSURE: 2787000 -92.4121 -92.3233 -41.0252 -49.1603 38.058 -127.473 -14.3983 -62.4711 -220.917 PRESSAVG: 2787000 -12.2373 -92.8939 -11.293 -92.8939 22.7007 18.5658 -11.2931 18.5658 3.57002 GPRESSAVG: 2787000 -12.4703 -91.5386 -11.124 -92.4857 23.0939 20.1553 -11.2968 18.4707 3.16729 TIMING: 2787000 CPU: 8880.42, 0.00313411/step Wall: 8880.42, 0.00313411/step, 1.92661 hours remaining, 233.957031 MB of memory in use. ENERGY: 2787000 4088.7133 20530.0315 14340.8371 248.3976 -204098.6692 2740.2552 0.0000 0.0000 52038.1446 -110112.2899 299.0639 -162150.4346 -109756.6351 298.4155 -121.0426 -91.7569 761102.5180 4.6778 4.5969 PRESSURE: 2787200 -355.077 -27.0036 148.258 -27.0038 -281.524 14.4547 148.258 14.4546 -650.316 GPRESSURE: 2787200 -339.979 21.6511 133.821 -117.678 -268.354 -10.6971 74.9965 195.713 -603.192 PRESSAVG: 2787200 -62.3122 -35.17 -15.9011 -35.1701 20.7315 21.3703 -15.9011 21.3703 -14.307 GPRESSAVG: 2787200 -61.9335 -36.68 -15.2241 -36.7869 21.3282 19.4685 -14.8844 20.7747 -15.2858 TIMING: 2787200 CPU: 8881.05, 0.00315962/step Wall: 8881.05, 0.00315962/step, 1.94211 hours remaining, 233.957031 MB of memory in use. ENERGY: 2787200 4056.1288 20574.6550 14383.8348 249.8255 -203614.4883 2267.8859 0.0000 0.0000 51849.4659 -110232.6926 297.9796 -162082.1584 -109873.5380 298.1597 -428.9724 -403.8417 761048.6455 -18.6292 -18.6303 PRESSURE: 2787400 -70.6406 272.905 93.7315 272.904 83.8955 199.361 93.7316 199.361 12.5634 GPRESSURE: 2787400 -149.941 204.479 23.517 179.042 204.205 162.246 -19.2251 334.982 49.3644 PRESSAVG: 2787400 -59.4652 -26.4922 -5.87501 -26.4923 104.37 2.52303 -5.87504 2.52299 -6.19077 GPRESSAVG: 2787400 -58.4925 -26.9435 -6.84391 -25.4708 102.322 1.89464 -7.70083 4.49954 -5.33501 TIMING: 2787400 CPU: 8881.67, 0.00311589/step Wall: 8881.67, 0.00311589/step, 1.91506 hours remaining, 233.957031 MB of memory in use. ENERGY: 2787400 4013.2248 20587.6523 14414.3657 251.4997 -203814.7669 2649.3006 0.0000 0.0000 51703.2449 -110195.4789 297.1393 -161898.7238 -109852.9312 298.2928 8.6061 34.5428 761795.3677 12.9047 12.8316 PRESSURE: 2787600 226.141 -120.564 90.4634 -120.563 97.544 -160.911 90.4628 -160.911 1.63736 GPRESSURE: 2787600 251.546 -29.0331 94.9058 -104.865 185.484 -155.587 172.718 -147.564 -33.7501 PRESSAVG: 2787600 -11.8609 -39.1921 -21.9247 -39.1921 -19.99 15.2416 -21.9247 15.2414 -1.14292 GPRESSAVG: 2787600 -13.6473 -38.3881 -20.5215 -37.4719 -17.9666 17.6887 -23.3481 13.7863 -0.919726 TIMING: 2787600 CPU: 8882.3, 0.00313442/step Wall: 8882.3, 0.00313442/step, 1.92628 hours remaining, 233.957031 MB of memory in use. ENERGY: 2787600 4039.4314 20536.8631 14460.4094 282.8678 -203887.0022 2692.5686 0.0000 0.0000 51857.7308 -110017.1311 298.0271 -161874.8619 -109655.0449 298.4177 108.4410 134.4265 761609.3119 -10.9979 -10.8445 PRESSURE: 2787800 95.0904 -47.6149 86.0126 -47.6154 103.308 37.4861 86.0133 37.4848 1.23831 GPRESSURE: 2787800 179.73 -59.0589 88.6704 -90.7139 43.5215 -15.1577 74.1906 -29.2796 57.3371 PRESSAVG: 2787800 -15.8759 -4.75932 -2.98683 -4.75928 47.618 22.3704 -2.98682 22.3704 -8.80858 GPRESSAVG: 2787800 -14.389 -4.59954 -3.00411 -5.91594 45.858 20.8781 -0.595832 22.7655 -9.32425 TIMING: 2787800 CPU: 8882.93, 0.00313362/step Wall: 8882.93, 0.00313362/step, 1.92561 hours remaining, 233.957031 MB of memory in use. ENERGY: 2787800 4033.0196 20653.8814 14446.7931 256.4706 -203926.4944 2679.0427 0.0000 0.0000 52052.2769 -109805.0101 299.1452 -161857.2870 -109445.7312 298.9350 66.5456 93.5297 759975.4154 7.6445 7.3816 PRESSURE: 2788000 -248.354 112.84 221.74 112.84 -116.36 28.1857 221.74 28.1864 -140.054 GPRESSURE: 2788000 -212.139 -9.04557 198.149 96.8021 -140.654 30.0547 88.0463 121.128 -68.1649 PRESSAVG: 2788000 -21.9446 -38.6692 14.8784 -38.6693 24.6706 22.7634 14.8784 22.7635 17.2078 GPRESSAVG: 2788000 -22.1398 -38.9161 14.268 -38.5478 25.4331 23.612 15.1619 22.995 16.5533 TIMING: 2788000 CPU: 8883.56, 0.00314449/step Wall: 8883.56, 0.00314449/step, 1.93212 hours remaining, 233.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2788000 4017.9694 20510.8359 14373.9979 235.1449 -202823.0343 1988.3332 0.0000 0.0000 51990.0198 -109706.7332 298.7874 -161696.7531 -109341.1666 299.5552 -168.2559 -140.3193 760903.3369 6.6446 6.6155 PRESSURE: 2788200 -211.782 31.6545 25.3326 31.6549 -160.097 77.4949 25.3331 77.4942 -87.4902 GPRESSURE: 2788200 -97.1247 103.74 -44.6137 14.4503 -198.931 97.7584 13.9902 93.8152 -71.8286 PRESSAVG: 2788200 -24.6106 -42.0532 -31.803 -42.0532 9.95162 -29.6581 -31.803 -29.6581 -32.4497 GPRESSAVG: 2788200 -25.1799 -43.0066 -32.6988 -41.8501 9.09886 -30.8165 -34.2266 -29.3117 -31.2054 TIMING: 2788200 CPU: 8884.19, 0.00316304/step Wall: 8884.19, 0.00316304/step, 1.94334 hours remaining, 233.957031 MB of memory in use. ENERGY: 2788200 3994.1461 20573.7003 14439.3162 240.9357 -203404.8952 2320.6956 0.0000 0.0000 52063.7487 -109772.3525 299.2111 -161836.1012 -109418.0377 299.1397 -153.1233 -122.6281 761787.1616 -15.7029 -15.7621 LDB: ============= START OF LOAD BALANCING ============== 8896.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8896.61 LDB: =============== DONE WITH MIGRATION ================ 8896.61 LDB: ============= START OF LOAD BALANCING ============== 8896.93 LDB: Largest compute 7047 load 0.031537 is 16.1% of average load 0.195472 LDB: Average compute 0.004381 is 2.2% of average load 0.195472 LDB: TIME 8896.93 LOAD: AVG 0.195472 MAX 0.219263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 8896.93 LOAD: AVG 0.195472 MAX 0.219263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 8896.93 LOAD: AVG 0.195472 MAX 0.214724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 8896.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8896.94 PRESSURE: 2788400 -235.63 34.8832 189.8 34.8827 -337.887 -209.709 189.8 -209.71 -41.2222 GPRESSURE: 2788400 -156.916 100.463 161.204 87.9712 -317.35 -203.185 166.786 -166.317 -30.5702 PRESSAVG: 2788400 19.3591 18.1955 21.1003 18.1954 -34.2179 -22.6672 21.1003 -22.6673 25.1473 GPRESSAVG: 2788400 20.063 20.9704 21.5249 17.4264 -33.6353 -21.2173 23.0314 -22.1923 24.2243 TIMING: 2788400 CPU: 8884.83, 0.00323158/step Wall: 8884.83, 0.00323158/step, 1.98527 hours remaining, 233.820312 MB of memory in use. ENERGY: 2788400 3937.1349 20480.1027 14371.6112 232.4752 -202899.4754 2232.9009 0.0000 0.0000 52030.8637 -109614.3868 299.0221 -161645.2505 -109241.0814 299.1820 -204.9132 -168.2788 762109.2463 3.4295 3.5507 PRESSURE: 2788600 -360.429 -136.896 379.955 -136.897 36.2703 -24.87 379.955 -24.8707 -144.224 GPRESSURE: 2788600 -264.614 -150.931 404.486 -195.884 35.6649 -152.736 311.604 -0.0124279 -164.638 PRESSAVG: 2788600 48.2444 -4.73205 91.0076 -4.73203 -58.1275 -30.4728 91.0075 -30.4727 -2.28682 GPRESSAVG: 2788600 48.7603 -4.99814 91.4424 -5.18787 -59.108 -31.2202 91.4108 -33.2853 -1.92301 TIMING: 2788600 CPU: 8885.47, 0.00317289/step Wall: 8885.47, 0.00317288/step, 1.94903 hours remaining, 233.820312 MB of memory in use. ENERGY: 2788600 3989.3902 20549.1972 14440.8803 240.7838 -203578.6350 2617.1447 0.0000 0.0000 52094.1320 -109647.1068 299.3857 -161741.2388 -109290.7650 299.3842 -156.1277 -131.1957 762579.2997 -4.0566 -4.0902 PRESSURE: 2788800 140.146 71.5607 -133.798 71.5606 -29.6948 13.2458 -133.798 13.2467 285.943 GPRESSURE: 2788800 95.1772 33.8075 -75.3047 180.429 2.84652 37.7532 -102.255 22.8494 375.841 PRESSAVG: 2788800 88.8385 11.4147 12.911 11.4147 -46.4898 -35.0974 12.9109 -35.0974 -7.17599 GPRESSAVG: 2788800 87.4477 12.0882 12.7005 13.3021 -45.4396 -34.237 11.27 -30.6347 -6.73048 TIMING: 2788800 CPU: 8886.1, 0.00313442/step Wall: 8886.1, 0.00313442/step, 1.92523 hours remaining, 233.820312 MB of memory in use. ENERGY: 2788800 3956.0787 20629.2292 14433.1893 233.9769 -203763.0362 2737.7013 0.0000 0.0000 52077.7721 -109695.0888 299.2917 -161772.8609 -109338.8885 299.3682 132.1316 157.9549 760891.7381 11.7242 11.7592 PRESSURE: 2789000 -220.39 76.783 13.4136 76.7836 -128.124 -85.7837 13.4134 -85.7834 -166.059 GPRESSURE: 2789000 -187.223 87.482 1.70282 72.2272 -102.723 -102.991 -101.105 -121.305 -138.091 PRESSAVG: 2789000 35.8111 -8.72528 -3.20077 -8.72517 -36.5961 -20.5164 -3.2008 -20.5164 0.779589 GPRESSAVG: 2789000 35.4478 -10.4649 -2.48194 -9.25395 -35.9539 -20.8421 -2.47109 -21.9716 0.434637 TIMING: 2789000 CPU: 8886.72, 0.00311642/step Wall: 8886.72, 0.00311641/step, 1.914 hours remaining, 233.820312 MB of memory in use. ENERGY: 2789000 3990.9257 20553.1768 14443.8741 244.7266 -203559.3467 2682.0042 0.0000 0.0000 51957.8854 -109686.7540 298.6027 -161644.6394 -109329.3373 299.5620 -171.5244 -142.6789 761791.1519 -0.0018 -0.0238 PRESSURE: 2789200 58.1329 2.71015 84.5838 2.70981 -290.884 35.813 84.5838 35.8133 -266.651 GPRESSURE: 2789200 70.6851 7.87116 126.716 99.5737 -221.671 49.9965 72.0161 101.344 -259.824 PRESSAVG: 2789200 7.26039 -10.1119 0.373191 -10.1118 11.1538 -49.2498 0.373165 -49.2499 8.63245 GPRESSAVG: 2789200 7.66114 -10.247 -0.672837 -9.709 9.88815 -50.5347 0.848542 -51.2436 9.15632 TIMING: 2789200 CPU: 8887.34, 0.00311887/step Wall: 8887.34, 0.00311888/step, 1.91534 hours remaining, 233.820312 MB of memory in use. ENERGY: 2789200 3953.1256 20535.3490 14416.8527 278.0923 -203314.7389 2501.6184 0.0000 0.0000 52163.8419 -109465.8590 299.7863 -161629.7009 -109107.9027 299.6990 -166.4676 -136.9367 761965.3732 9.0155 8.9019 PRESSURE: 2789400 -159.12 2.86101 251.814 2.86081 -74.0226 163.491 251.815 163.491 -84.7049 GPRESSURE: 2789400 -22.3616 -31.5079 287.958 -66.6606 17.2928 139.473 196.695 178.324 -202.642 PRESSAVG: 2789400 73.713 20.3992 13.323 20.3992 -72.0917 -9.74854 13.3229 -9.74854 4.69894 GPRESSAVG: 2789400 73.8569 22.2669 13.0394 19.0312 -70.8068 -9.44113 13.762 -6.91231 3.68708 TIMING: 2789400 CPU: 8887.97, 0.00312287/step Wall: 8887.97, 0.00312287/step, 1.91761 hours remaining, 233.820312 MB of memory in use. ENERGY: 2789400 3967.0248 20480.9206 14465.6435 245.9804 -203567.3887 2464.4317 0.0000 0.0000 52395.4553 -109547.9324 301.1174 -161943.3877 -109181.0310 299.4218 -105.9493 -69.2370 761457.6587 2.1067 2.2458 PRESSURE: 2789600 -123.505 315.675 32.4858 315.676 -93.8679 39.5071 32.4854 39.5072 -355.238 GPRESSURE: 2789600 -20.0898 160.529 -54.032 305.118 -103.583 18.9522 134.069 93.0153 -353.16 PRESSAVG: 2789600 56.4845 12.591 -35.4283 12.591 -49.6516 -1.46498 -35.4283 -1.46499 -8.17581 GPRESSAVG: 2789600 56.5654 9.9883 -35.0328 10.9492 -50.62 0.677164 -36.0028 -4.44611 -7.3604 TIMING: 2789600 CPU: 8888.59, 0.00312361/step Wall: 8888.59, 0.00312361/step, 1.91789 hours remaining, 233.820312 MB of memory in use. ENERGY: 2789600 3940.9743 20596.9083 14415.9616 234.2947 -203237.5036 2329.3923 0.0000 0.0000 52245.5722 -109474.4002 300.2560 -161719.9724 -109102.8069 299.8486 -190.8702 -158.9445 761658.3990 -0.4476 -0.4717 PRESSURE: 2789800 -445.125 202.467 -276.603 202.467 -237.696 27.2583 -276.604 27.2584 -214.574 GPRESSURE: 2789800 -373.758 171.367 -222.912 119.096 -212.09 -34.4428 -118.79 92.4769 -226.635 PRESSAVG: 2789800 -5.93272 8.88869 -10.0282 8.8887 -63.6032 -24.6343 -10.0282 -24.6342 25.861 GPRESSAVG: 2789800 -5.76058 9.48662 -8.77621 10.1246 -63.444 -24.8673 -9.98339 -22.9505 25.0078 TIMING: 2789800 CPU: 8889.22, 0.00312415/step Wall: 8889.22, 0.00312415/step, 1.91806 hours remaining, 233.820312 MB of memory in use. ENERGY: 2789800 3959.6452 20443.3776 14384.9115 256.5802 -203143.1709 2336.9753 0.0000 0.0000 52128.7020 -109632.9790 299.5844 -161761.6810 -109263.0329 299.1304 -299.1315 -270.8274 761349.3448 -14.5583 -14.7323 PRESSURE: 2790000 -117.545 137.027 -146.24 137.027 171.616 -202.777 -146.24 -202.776 -326.654 GPRESSURE: 2790000 4.40857 113.761 -44.6882 232.253 107.675 -261.796 -112.997 -35.417 -297.394 PRESSAVG: 2790000 63.4418 -0.780388 -64.8228 -0.78044 -78.7308 -83.8778 -64.8228 -83.8778 5.90746 GPRESSAVG: 2790000 63.0179 -1.58135 -64.6678 0.137638 -78.7399 -84.6543 -64.5558 -84.7403 6.73159 TIMING: 2790000 CPU: 8889.84, 0.00313009/step Wall: 8889.84, 0.00313009/step, 1.92153 hours remaining, 233.820312 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: 2790000 3921.0898 20507.8567 14381.7045 243.0862 -203199.5195 2366.5110 0.0000 0.0000 52185.3063 -109593.9651 299.9097 -161779.2714 -109225.8731 299.3265 -90.8611 -61.7703 759971.1911 -3.1272 -2.9968 PRESSURE: 2790200 -181.816 -39.6587 80.9477 -39.6585 46.9876 -177.434 80.9483 -177.434 305.799 GPRESSURE: 2790200 -151.191 -55.1799 11.9679 19.634 83.5047 -223.315 59.8975 -138.929 306.242 PRESSAVG: 2790200 67.4259 -0.295296 -18.7408 -0.295272 -45.1703 -29.7794 -18.7407 -29.7794 11.3561 GPRESSAVG: 2790200 67.9739 0.0746268 -20.4429 1.16447 -44.6322 -29.1872 -18.7619 -29.7154 10.5659 TIMING: 2790200 CPU: 8890.46, 0.00310432/step Wall: 8890.46, 0.00310432/step, 1.90554 hours remaining, 233.820312 MB of memory in use. ENERGY: 2790200 4035.2915 20523.1643 14418.3178 231.2145 -203690.7150 2776.0038 0.0000 0.0000 51940.3413 -109766.3818 298.5019 -161706.7230 -109407.7245 299.0507 56.9902 79.5185 759995.2120 11.2039 11.3025 PRESSURE: 2790400 37.8587 -103.137 213.499 -103.137 -57.006 279.366 213.499 279.365 0.175702 GPRESSURE: 2790400 101.538 -132.911 237.498 -223.521 7.33873 236.672 158.94 133.788 -52.3823 PRESSAVG: 2790400 63.4384 -6.14744 -9.57119 -6.14741 -81.7221 -28.6158 -9.57122 -28.6159 -19.9318 GPRESSAVG: 2790400 63.0558 -5.12664 -9.58499 -8.05625 -81.8558 -30.8683 -9.68204 -26.9928 -19.3127 TIMING: 2790400 CPU: 8891.09, 0.00313006/step Wall: 8891.09, 0.00313006/step, 1.92116 hours remaining, 233.820312 MB of memory in use. ENERGY: 2790400 4044.2516 20424.6649 14409.0271 240.7650 -203651.3792 2727.0794 0.0000 0.0000 52050.9685 -109754.6228 299.1376 -161805.5912 -109386.7081 299.0100 -6.3239 18.8316 759175.3880 -12.7385 -12.7042 PRESSURE: 2790600 -46.182 -10.1186 239.165 -10.12 3.26289 -85.8969 239.166 -85.8957 -52.0746 GPRESSURE: 2790600 3.22621 31.0096 214.966 -55.7991 -55.2017 -4.7944 150.936 -111.437 39.4193 PRESSAVG: 2790600 18.8218 7.27448 5.08937 7.27444 -1.08808 -22.2302 5.08937 -22.2301 25.9658 GPRESSAVG: 2790600 17.7517 6.60557 5.42517 8.16284 -0.653945 -19.6278 4.27929 -25.2252 26.3316 TIMING: 2790600 CPU: 8891.72, 0.00316372/step Wall: 8891.72, 0.00316372/step, 1.94164 hours remaining, 233.820312 MB of memory in use. ENERGY: 2790600 4013.4557 20487.7063 14510.8421 239.1133 -203837.1568 2612.0380 0.0000 0.0000 52122.8369 -109851.1646 299.5507 -161974.0014 -109487.5067 298.9563 -31.6646 -4.1854 759999.0918 14.5665 14.4764 PRESSURE: 2790800 -156.064 -114.865 -157.512 -114.864 -161.55 -190.911 -157.512 -190.911 187.797 GPRESSURE: 2790800 -99.7919 -115.984 -123.869 -134.6 -135.039 -158.077 -201.784 -122.668 196.941 PRESSAVG: 2790800 31.1602 9.49798 29.106 9.49796 -32.9762 -27.3841 29.106 -27.3841 -1.02488 GPRESSAVG: 2790800 31.5555 11.1354 30.3812 9.35494 -33.4706 -29.2034 28.1882 -26.8738 -1.15216 TIMING: 2790800 CPU: 8892.36, 0.00316869/step Wall: 8892.36, 0.00316869/step, 1.94452 hours remaining, 233.820312 MB of memory in use. ENERGY: 2790800 4051.0197 20453.8547 14438.1817 236.8806 -203492.7634 2611.8893 0.0000 0.0000 52105.0424 -109595.8949 299.4484 -161700.9373 -109231.4776 299.3775 -43.2723 -12.6300 762146.3913 -0.9469 -1.0224 PRESSURE: 2791000 -420.709 69.8185 44.6919 69.8182 -125.844 -264.004 44.6934 -264.003 98.7812 GPRESSURE: 2791000 -369.504 19.0766 41.4948 -3.99823 -61.7616 -190.714 19.4719 -187.119 82.3615 PRESSAVG: 2791000 5.22885 36.1346 -18.0447 36.1347 5.69987 -12.5021 -18.0447 -12.5021 19.0155 GPRESSAVG: 2791000 5.53703 36.025 -19.3792 33.2641 5.9632 -8.69521 -16.3842 -11.3903 18.5226 TIMING: 2791000 CPU: 8892.99, 0.00316399/step Wall: 8892.99, 0.00316399/step, 1.94146 hours remaining, 233.820312 MB of memory in use. ENERGY: 2791000 4009.2812 20382.7679 14456.6749 235.7477 -203404.0679 2454.5647 0.0000 0.0000 52304.9942 -109560.0372 300.5975 -161865.0315 -109193.4188 299.0952 -149.2574 -116.3015 760936.6460 9.9814 10.0076 PRESSURE: 2791200 155.174 -50.7187 -154.246 -50.718 -220.431 -60.7985 -154.245 -60.7991 -238.093 GPRESSURE: 2791200 148.026 -46.1714 -176.601 -119.952 -196.915 -103.475 -192.6 -104.525 -182.068 PRESSAVG: 2791200 26.2127 -6.40173 7.83922 -6.40173 7.92882 -1.46257 7.83928 -1.46257 0.741432 GPRESSAVG: 2791200 26.4619 -6.01263 8.51257 -4.09331 7.44066 -4.40677 7.94524 -2.35146 1.20664 TIMING: 2791200 CPU: 8893.62, 0.00316173/step Wall: 8893.62, 0.00316173/step, 1.9399 hours remaining, 233.820312 MB of memory in use. ENERGY: 2791200 3901.3016 20523.9638 14490.6238 241.7928 -203182.8535 2351.0653 0.0000 0.0000 52189.2687 -109484.8375 299.9324 -161674.1062 -109116.6055 299.8365 -101.1170 -76.9854 762347.7016 11.6277 11.7031 PRESSURE: 2791400 330.798 54.2835 -16.6288 54.2834 117.493 122.319 -16.6291 122.318 91.5156 GPRESSURE: 2791400 327.532 -92.7953 21.6893 18.3198 216.476 117.526 -26.523 210.853 79.2289 PRESSAVG: 2791400 -17.0594 -24.1825 -12.2637 -24.1825 -43.0018 18.729 -12.2637 18.7291 -9.24911 GPRESSAVG: 2791400 -17.012 -25.8912 -12.0675 -24.7192 -43.7024 18.2002 -12.8559 21.056 -9.15503 TIMING: 2791400 CPU: 8894.25, 0.00314339/step Wall: 8894.25, 0.00314339/step, 1.92847 hours remaining, 233.820312 MB of memory in use. ENERGY: 2791400 3948.9314 20580.8053 14423.3804 244.3009 -203685.1123 2942.3103 0.0000 0.0000 51980.3708 -109565.0131 298.7319 -161545.3839 -109198.8316 299.6085 179.9355 207.7460 763068.0482 -23.1034 -23.2898 PRESSURE: 2791600 117.546 90.0335 -129.96 90.0335 258.863 39.6211 -129.959 39.621 359.563 GPRESSURE: 2791600 131.451 155.956 -94.555 38.2686 373.595 7.64061 -51.783 -3.84055 316.699 PRESSAVG: 2791600 23.3132 -50.447 27.0213 -50.447 -41.3233 32.9828 27.0213 32.9828 20.7762 GPRESSAVG: 2791600 22.4574 -50.9024 26.924 -49.0197 -40.3949 32.4394 27.1021 32.3025 20.8973 TIMING: 2791600 CPU: 8894.88, 0.00313442/step Wall: 8894.88, 0.00313442/step, 1.92279 hours remaining, 233.820312 MB of memory in use. ENERGY: 2791600 4044.4779 20464.7157 14388.0528 238.0758 -203857.3859 2860.0314 0.0000 0.0000 52028.6039 -109833.4284 299.0091 -161862.0323 -109472.2419 298.6909 245.3238 273.9152 759955.3249 0.9220 0.9866 PRESSURE: 2791800 -224.349 90.7104 -224.655 90.7111 16.0947 -8.76392 -224.655 -8.76468 -16.8451 GPRESSURE: 2791800 -151.347 101.966 -274.449 146.432 -54.0412 32.1473 -209.421 79.1873 62.3118 PRESSAVG: 2791800 36.9315 -41.058 -18.3064 -41.0579 -23.4323 -47.4659 -18.3065 -47.4659 -9.79451 GPRESSAVG: 2791800 37.5797 -40.1079 -17.3527 -41.6203 -24.5247 -46.0045 -17.1825 -46.9466 -9.36777 TIMING: 2791800 CPU: 8895.5, 0.00313631/step Wall: 8895.5, 0.00313631/step, 1.92378 hours remaining, 233.820312 MB of memory in use. ENERGY: 2791800 3979.7891 20400.2787 14366.8119 249.7246 -203140.6059 2453.1778 0.0000 0.0000 51852.1064 -109838.7175 297.9948 -161690.8239 -109473.4142 298.5927 -75.0332 -47.6921 760515.8467 1.2349 1.2291 PRESSURE: 2792000 283.084 -110.513 109.744 -110.513 92.709 7.73417 109.745 7.73537 103.054 GPRESSURE: 2792000 300.038 -54.4687 142.7 -75.3025 125.386 43.3526 12.6236 -30.6691 130.527 PRESSAVG: 2792000 14.5198 -2.68891 10.5287 -2.6889 -16.299 5.16673 10.5286 5.16669 0.893599 GPRESSAVG: 2792000 13.5709 -2.50069 9.51414 -3.20833 -15.4937 4.76236 8.46345 3.41104 0.928688 TIMING: 2792000 CPU: 8896.13, 0.00314856/step Wall: 8896.13, 0.00314856/step, 1.93112 hours remaining, 233.820312 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: 2792000 4021.4005 20435.0235 14367.7547 230.3077 -203434.4959 2522.0739 0.0000 0.0000 51950.0649 -109907.8707 298.5577 -161857.9356 -109544.8284 298.7500 159.6156 185.3171 759756.3055 -0.2952 -0.3314 PRESSURE: 2792200 235.553 -27.1558 -125.024 -27.1557 169.055 23.03 -125.024 23.0292 -1.32509 GPRESSURE: 2792200 285.109 48.9316 -32.337 26.6823 193.681 61.9667 -241.95 37.0028 -4.38347 PRESSAVG: 2792200 34.5468 -41.1288 -69.8813 -41.1288 -61.2877 9.59078 -69.8812 9.59084 12.6624 GPRESSAVG: 2792200 35.6726 -41.6525 -69.6545 -42.1689 -61.3032 8.53749 -69.6892 9.18727 12.151 TIMING: 2792200 CPU: 8896.76, 0.00315313/step Wall: 8896.76, 0.00315313/step, 1.93374 hours remaining, 233.820312 MB of memory in use. ENERGY: 2792200 4026.2912 20588.1647 14386.1598 252.9504 -203711.8406 2532.5642 0.0000 0.0000 51993.0193 -109932.6910 298.8046 -161925.7103 -109575.4177 298.4362 134.4276 158.1352 759163.3384 -4.6928 -4.4932 LDB: ============= START OF LOAD BALANCING ============== 8909.18 LDB: ============== END OF LOAD BALANCING =============== 8909.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8909.19 LDB: ============= START OF LOAD BALANCING ============== 8909.5 LDB: Largest compute 7047 load 0.030815 is 15.8% of average load 0.195533 LDB: Average compute 0.004396 is 2.2% of average load 0.195533 LDB: TIME 8909.5 LOAD: AVG 0.195533 MAX 0.214911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.648 MB LDB: TIME 8909.5 LOAD: AVG 0.195533 MAX 0.214911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.719 MB LDB: TIME 8909.5 LOAD: AVG 0.195533 MAX 0.214911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.719 MB LDB: ============== END OF LOAD BALANCING =============== 8909.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8909.51 PRESSURE: 2792400 -344.837 37.8103 28.4559 37.8104 142.651 -23.2263 28.456 -23.2265 -408.917 GPRESSURE: 2792400 -281.2 81.4859 -33.2571 61.2415 141.619 -55.0679 67.6541 57.2086 -401.197 PRESSAVG: 2792400 66.4306 -12.8101 -12.0784 -12.81 -26.0078 11.5343 -12.0785 11.5344 22.3022 GPRESSAVG: 2792400 67.5375 -11.5626 -13.4433 -11.629 -26.437 10.2716 -10.9685 11.6896 22.0775 TIMING: 2792400 CPU: 8897.4, 0.00319935/step Wall: 8897.4, 0.00319935/step, 1.96191 hours remaining, 233.875000 MB of memory in use. ENERGY: 2792400 3929.6615 20529.9037 14365.6459 243.7620 -203174.0816 2237.5254 0.0000 0.0000 52026.0860 -109841.4972 298.9946 -161867.5832 -109467.8704 298.9571 -203.7008 -180.2591 759849.0098 20.9083 21.0593 PRESSURE: 2792600 -226.704 -143.412 28.5149 -143.413 -58.1452 56.5044 28.5141 56.5051 205.3 GPRESSURE: 2792600 -155.334 -43.5823 -4.68569 -176.574 -46.9797 113.321 8.20116 82.8056 207.963 PRESSAVG: 2792600 60.3509 -38.4826 -15.9841 -38.4826 -29.7845 -23.3197 -15.9842 -23.3196 4.81071 GPRESSAVG: 2792600 59.7581 -40.6113 -14.412 -37.8254 -29.6924 -19.008 -16.3172 -24.1571 5.70175 TIMING: 2792600 CPU: 8898.03, 0.00315078/step Wall: 8898.03, 0.00315078/step, 1.93195 hours remaining, 234.078125 MB of memory in use. ENERGY: 2792600 3938.7179 20520.5107 14354.9080 251.2082 -203438.3751 2426.1881 0.0000 0.0000 52214.1902 -109732.6521 300.0757 -161946.8422 -109366.9908 299.0667 -26.5163 1.8830 759830.7342 11.7924 11.9225 PRESSURE: 2792800 -538.695 -10.7841 -177.561 -10.7842 144.339 -41.1692 -177.561 -41.1686 41.3657 GPRESSURE: 2792800 -382.45 -80.5261 -220.7 -20.7113 194.159 -59.126 -139.607 -102.33 -80.2908 PRESSAVG: 2792800 7.18726 -78.0295 -46.4192 -78.0295 17.1318 27.7816 -46.4193 27.7816 -8.55858 GPRESSAVG: 2792800 7.07105 -74.1349 -48.3411 -79.8303 17.8633 25.5763 -46.3964 29.0527 -9.96152 TIMING: 2792800 CPU: 8898.67, 0.00315271/step Wall: 8898.67, 0.00315271/step, 1.93296 hours remaining, 234.078125 MB of memory in use. ENERGY: 2792800 4097.9768 20557.5394 14323.9646 245.9675 -203290.1283 2347.4502 0.0000 0.0000 52253.2233 -109464.0065 300.3000 -161717.2298 -109093.7754 299.6439 -117.6636 -89.5274 758680.9874 5.2535 4.9909 PRESSURE: 2793000 14.2385 -10.8066 47.8674 -10.807 -119.127 -35.747 47.868 -35.748 -229.35 GPRESSURE: 2793000 7.86306 11.8601 112.839 -12.285 -108.94 -36.5528 -8.25864 -74.0198 -164.706 PRESSAVG: 2793000 -11.7041 52.1626 -14.1644 52.1625 -23.5399 -28.1882 -14.1644 -28.1881 -3.53141 GPRESSAVG: 2793000 -12.116 48.4538 -13.5397 52.4144 -23.4329 -27.3172 -14.5508 -28.3938 -3.28973 TIMING: 2793000 CPU: 8899.29, 0.00312867/step Wall: 8899.29, 0.00312867/step, 1.91805 hours remaining, 234.078125 MB of memory in use. ENERGY: 2793000 4070.2525 20556.9538 14396.8894 267.0784 -203489.3803 2657.9676 0.0000 0.0000 52003.6099 -109536.6287 298.8655 -161540.2386 -109173.3773 299.8112 -111.4129 -88.5943 760095.9384 -12.9251 -12.9462 PRESSURE: 2793200 122.019 -59.5651 -83.6764 -59.565 -29.2294 224.845 -83.6761 224.844 40.0148 GPRESSURE: 2793200 214.737 -68.7657 -43.1635 24.3588 -44.3244 222.375 -32.7651 176.095 71.8452 PRESSAVG: 2793200 -29.0348 7.14628 3.75876 7.14629 24.5573 -31.6868 3.75876 -31.6868 5.42146 GPRESSAVG: 2793200 -29.4652 7.42244 4.87708 9.43341 23.8294 -31.275 4.99079 -32.6229 6.46346 TIMING: 2793200 CPU: 8899.91, 0.00311723/step Wall: 8899.91, 0.00311723/step, 1.91086 hours remaining, 234.078125 MB of memory in use. ENERGY: 2793200 3955.0330 20554.0180 14392.8681 245.8479 -203154.7946 2357.0462 0.0000 0.0000 52278.8464 -109371.1351 300.4472 -161649.9815 -109008.0642 300.0093 44.2681 80.7526 758441.8536 0.3146 0.2759 PRESSURE: 2793400 10.6148 188.996 190.618 188.996 -37.9799 43.14 190.619 43.1387 247.519 GPRESSURE: 2793400 175.273 106.541 189.052 88.5915 -69.0376 72.0962 9.97474 119.909 205.822 PRESSAVG: 2793400 25.4157 -22.7393 -33.5091 -22.7393 9.21027 -1.31093 -33.5091 -1.31093 6.82063 GPRESSAVG: 2793400 25.6141 -24.4347 -34.0871 -23.5453 10.087 -2.83242 -35.5597 -1.05604 5.79285 TIMING: 2793400 CPU: 8900.54, 0.00313061/step Wall: 8900.54, 0.00313061/step, 1.91889 hours remaining, 234.078125 MB of memory in use. ENERGY: 2793400 4076.4465 20550.8328 14357.3084 248.9777 -203131.7457 2366.2529 0.0000 0.0000 52248.9208 -109283.0066 300.2753 -161531.9274 -108917.5102 300.4853 73.3845 104.0189 757990.1604 13.8155 13.8313 PRESSURE: 2793600 -121.55 -33.1171 173.224 -33.1166 -237.995 -87.4144 173.225 -87.4159 -331.074 GPRESSURE: 2793600 -158.756 -86.2515 243.686 -21.0909 -150.861 -145.847 118.933 -83.5742 -301.705 PRESSAVG: 2793600 15.7048 -39.2946 4.55154 -39.2946 -5.56906 -16.4352 4.55151 -16.4351 14.5584 GPRESSAVG: 2793600 16.0188 -37.6013 5.85709 -40.9268 -5.91679 -16.5496 5.57204 -17.3377 14.2884 TIMING: 2793600 CPU: 8901.17, 0.00315512/step Wall: 8901.17, 0.00315512/step, 1.93374 hours remaining, 234.078125 MB of memory in use. ENERGY: 2793600 4042.7379 20449.0232 14384.3674 238.4117 -202992.7666 2347.2318 0.0000 0.0000 52058.1439 -109472.8507 299.1789 -161530.9947 -109097.5552 300.0211 -230.2065 -203.7738 759377.3236 8.2314 8.1302 PRESSURE: 2793800 211.705 -162.785 -221.086 -162.786 -226.733 -111.762 -221.086 -111.76 -228.964 GPRESSURE: 2793800 242.948 -203.499 -164.718 -128.741 -152.635 -59.7119 -152.059 -50.2207 -255.548 PRESSAVG: 2793800 16.2302 -18.6131 -40.0684 -18.6131 2.69712 11.2304 -40.0684 11.2304 18.1572 GPRESSAVG: 2793800 17.3768 -18.9376 -41.3813 -15.0342 1.85825 10.1899 -40.8941 15.7871 17.9578 TIMING: 2793800 CPU: 8901.8, 0.00315264/step Wall: 8901.8, 0.00315264/step, 1.93205 hours remaining, 234.078125 MB of memory in use. ENERGY: 2793800 4013.5780 20442.2036 14358.3716 248.8327 -203334.6071 2457.7676 0.0000 0.0000 52339.8240 -109474.0295 300.7977 -161813.8535 -109112.9022 299.7464 -81.3309 -55.0784 758537.4081 12.3615 12.3976 PRESSURE: 2794000 76.3917 -59.6493 -8.23723 -59.6491 -247.11 -13.9478 -8.23628 -13.9497 52.4108 GPRESSURE: 2794000 64.4935 -131.874 -33.838 143.097 -171.699 -15.0177 53.8814 37.8786 78.1395 PRESSAVG: 2794000 43.3651 -37.1403 -35.512 -37.1403 -28.8394 46.8736 -35.5121 46.8738 -2.07477 GPRESSAVG: 2794000 42.2376 -35.4706 -36.8816 -37.485 -28.1074 48.5482 -33.0704 43.4836 -1.15976 TIMING: 2794000 CPU: 8902.43, 0.0031592/step Wall: 8902.43, 0.0031592/step, 1.93588 hours remaining, 234.078125 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: 2794000 4005.7421 20589.3396 14375.6250 220.6431 -202917.6701 2219.5577 0.0000 0.0000 52067.1378 -109439.6248 299.2306 -161506.7626 -109069.9830 299.5908 -39.4357 -9.6886 760747.3840 4.1503 4.3235 PRESSURE: 2794200 58.4269 95.5387 -291.265 95.5395 -111.835 50.6582 -291.265 50.6572 443.578 GPRESSURE: 2794200 50.0811 75.3693 -334.27 139.608 -18.2341 15.0576 -317.822 -36.9546 435.34 PRESSAVG: 2794200 76.9655 -24.0613 -54.8035 -24.0613 -12.5037 19.8924 -54.8035 19.8924 19.9169 GPRESSAVG: 2794200 77.3254 -27.6083 -54.878 -24.8727 -12.6462 19.0256 -54.7566 20.5688 19.4465 TIMING: 2794200 CPU: 8903.06, 0.00313419/step Wall: 8903.06, 0.00313419/step, 1.92039 hours remaining, 234.078125 MB of memory in use. ENERGY: 2794200 4041.1188 20587.1238 14334.5218 254.7295 -203971.0950 3078.4811 0.0000 0.0000 52077.7868 -109597.3332 299.2918 -161675.1200 -109221.5094 300.1286 130.0568 155.7289 759669.3414 28.1262 28.0419 PRESSURE: 2794400 37.9577 -70.2341 -138.585 -70.2345 -174.664 68.8913 -138.585 68.8919 -12.2316 GPRESSURE: 2794400 77.9825 -79.9909 -217.936 -31.7142 -125.452 39.5539 12.2364 188.182 -11.5595 PRESSAVG: 2794400 12.4555 17.5684 -36.7295 17.5684 -13.8317 12.1447 -36.7295 12.1446 5.97376 GPRESSAVG: 2794400 11.2214 20.4713 -34.8319 16.8584 -13.4015 12.0597 -38.4117 12.4454 6.20746 TIMING: 2794400 CPU: 8903.68, 0.00312214/step Wall: 8903.68, 0.00312214/step, 1.91283 hours remaining, 234.078125 MB of memory in use. ENERGY: 2794400 4030.9922 20678.4376 14504.5234 234.3232 -203699.7523 2829.8025 0.0000 0.0000 52072.2972 -109349.3762 299.2602 -161421.6734 -108996.3843 299.6026 -49.6459 -19.6763 761635.1449 1.5325 1.3425 PRESSURE: 2794600 -267.166 12.9266 -88.5969 12.9273 -114.978 138.314 -88.5968 138.314 151.535 GPRESSURE: 2794600 -200.214 60.5167 -46.3986 -43.2576 -86.1438 145.948 65.2758 320.982 156.601 PRESSAVG: 2794600 4.53985 -35.4053 -48.3873 -35.4053 -11.4526 -33.9349 -48.3873 -33.9349 9.12876 GPRESSAVG: 2794600 5.50169 -35.9753 -49.6882 -36.9308 -12.7864 -33.8367 -47.2974 -31.4565 9.51641 TIMING: 2794600 CPU: 8904.31, 0.00312989/step Wall: 8904.31, 0.00312989/step, 1.91741 hours remaining, 234.078125 MB of memory in use. ENERGY: 2794600 4065.8984 20570.5912 14402.8737 244.4471 -203599.5741 2642.9175 0.0000 0.0000 52382.7458 -109290.1005 301.0444 -161672.8462 -108933.8887 299.8651 -76.8697 -43.2523 759657.2226 0.7387 0.7439 PRESSURE: 2794800 379.78 -48.9693 -253.79 -48.9702 163.598 137.179 -253.791 137.18 -44.6169 GPRESSURE: 2794800 441.532 -106.744 -210.55 -64.9004 139.765 104.904 -228.421 10.5684 21.4485 PRESSAVG: 2794800 33.6405 -27.4067 -50.2586 -27.4067 -74.2877 -84.3746 -50.2585 -84.3747 -8.70962 GPRESSAVG: 2794800 33.5358 -27.4576 -48.9605 -26.7141 -74.2088 -83.8718 -52.5931 -87.3869 -8.80873 TIMING: 2794800 CPU: 8904.94, 0.00312291/step Wall: 8904.94, 0.00312291/step, 1.91296 hours remaining, 234.078125 MB of memory in use. ENERGY: 2794800 3929.5135 20604.5861 14479.1345 262.8660 -203339.1229 2689.0079 0.0000 0.0000 51925.3736 -109448.6413 298.4158 -161374.0149 -109083.9005 300.4799 166.2538 200.9153 759664.3308 -16.4523 -16.4939 PRESSURE: 2795000 181.076 -72.3043 -72.6124 -72.3047 -243.055 -49.3124 -72.6124 -49.3129 215.996 GPRESSURE: 2795000 125.541 -7.27675 -138.38 -21.8131 -89.8695 -121.303 -91.3248 -66.2685 206.36 PRESSAVG: 2795000 22.8108 -6.63176 -27.7393 -6.63173 -30.8143 -54.2321 -27.7393 -54.2322 11.5717 GPRESSAVG: 2795000 22.9755 -7.03292 -28.646 -7.13021 -30.6668 -54.0915 -25.6769 -53.9297 11.5096 TIMING: 2795000 CPU: 8905.56, 0.00313168/step Wall: 8905.56, 0.00313168/step, 1.91815 hours remaining, 234.078125 MB of memory in use. ENERGY: 2795000 4009.2046 20583.7459 14366.7791 267.1214 -203335.6624 2692.9603 0.0000 0.0000 52224.4660 -109191.3851 300.1347 -161415.8511 -108832.2337 300.1733 51.3389 80.6774 760303.0063 1.1894 1.2728 PRESSURE: 2795200 -58.6883 -231.923 197.278 -231.923 -299.319 53.7148 197.278 53.715 -299.753 GPRESSURE: 2795200 -61.8139 -343.984 246.313 -266.304 -200.601 54.5542 123.27 97.3169 -303.682 PRESSAVG: 2795200 -10.797 -12.4345 18.8027 -12.4346 -5.56694 1.72549 18.8027 1.7255 4.60752 GPRESSAVG: 2795200 -10.194 -12.0399 18.9212 -12.1433 -5.9274 2.5861 17.6772 1.35636 4.43683 TIMING: 2795200 CPU: 8906.19, 0.00313288/step Wall: 8906.19, 0.00313288/step, 1.91871 hours remaining, 234.078125 MB of memory in use. ENERGY: 2795200 4133.5564 20410.6698 14477.5424 256.8011 -203394.2733 2583.8716 0.0000 0.0000 52118.1767 -109413.6553 299.5239 -161531.8320 -109042.8864 300.1781 -219.2535 -188.6991 761765.6186 -3.9188 -3.8949 PRESSURE: 2795400 -437.738 -7.55736 205.074 -7.55649 -517.246 -215.545 205.074 -215.545 -510.168 GPRESSURE: 2795400 -417.816 50.3137 120.309 -139.512 -409.756 -113.523 250.269 -12.9888 -544.137 PRESSAVG: 2795400 61.9383 -27.4456 59.5505 -27.4455 -46.7526 4.14012 59.5505 4.14012 -1.74059 GPRESSAVG: 2795400 61.0325 -28.2635 58.9599 -26.9324 -45.6595 1.88867 61.2238 4.58834 -1.81202 TIMING: 2795400 CPU: 8906.81, 0.00311609/step Wall: 8906.81, 0.00311609/step, 1.90826 hours remaining, 234.078125 MB of memory in use. ENERGY: 2795400 4016.8867 20468.4892 14398.3929 271.9812 -203103.2780 2106.1824 0.0000 0.0000 52246.2416 -109595.1039 300.2599 -161841.3456 -109228.6356 299.8842 -488.3841 -457.2365 758954.3040 4.4817 4.5203 PRESSURE: 2795600 -137.945 265.895 -5.53129 265.895 -26.8535 -151.917 -5.53079 -151.917 -204.432 GPRESSURE: 2795600 -70.0337 307.49 -66.4898 253.219 -28.3474 -166.853 9.56611 -70.285 -165.99 PRESSAVG: 2795600 41.9876 -8.41942 -10.9037 -8.41942 -60.7272 -80.1358 -10.9037 -80.1358 -2.31374 GPRESSAVG: 2795600 43.0752 -8.23443 -10.7042 -8.30314 -60.5276 -76.6272 -11.1591 -80.6388 -3.90834 TIMING: 2795600 CPU: 8907.44, 0.00312193/step Wall: 8907.44, 0.00312193/step, 1.91166 hours remaining, 234.078125 MB of memory in use. ENERGY: 2795600 3940.6475 20545.4728 14367.2096 257.7328 -203290.1984 2385.8045 0.0000 0.0000 52165.1689 -109628.1623 299.7939 -161793.3312 -109266.0766 299.5681 -123.0769 -88.1236 759971.4458 -7.0178 -7.1203 PRESSURE: 2795800 -218.588 129.501 74.4346 129.501 -143.529 -35.0283 74.4339 -35.0274 -291.302 GPRESSURE: 2795800 -231.266 56.0973 63.3381 204.01 -34.1212 -31.8465 62.3028 54.0389 -295.438 PRESSAVG: 2795800 17.6585 -11.8469 23.2699 -11.8468 -55.3406 -39.1603 23.2698 -39.1603 -6.24472 GPRESSAVG: 2795800 16.6519 -12.7113 24.392 -12.0643 -55.1571 -40.9447 22.5202 -38.3372 -5.31625 TIMING: 2795800 CPU: 8908.06, 0.00311738/step Wall: 8908.06, 0.00311738/step, 1.9087 hours remaining, 234.078125 MB of memory in use. ENERGY: 2795800 3927.8041 20449.3270 14380.0275 248.5682 -203372.3811 2473.0725 0.0000 0.0000 52406.2528 -109487.3291 301.1795 -161893.5818 -109120.5060 300.0252 -217.8064 -186.9417 762123.3064 -14.6423 -14.6072 PRESSURE: 2796000 101.296 -15.4884 -88.1515 -15.4884 32.0249 -304.302 -88.1516 -304.303 494.166 GPRESSURE: 2796000 107.723 39.9089 -50.4042 -75.9529 144.685 -253.688 -196.44 -218.278 450.732 PRESSAVG: 2796000 31.1417 8.13328 11.6146 8.13323 -5.76069 -18.1946 11.6146 -18.1947 16.1842 GPRESSAVG: 2796000 32.6964 11.1057 10.5625 8.73923 -6.07615 -17.6476 11.8978 -18.0892 15.038 TIMING: 2796000 CPU: 8908.69, 0.00314311/step Wall: 8908.69, 0.00314311/step, 1.92428 hours remaining, 234.078125 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: 2796000 4017.8313 20467.6767 14456.3601 256.5345 -203627.1869 2796.2728 0.0000 0.0000 52175.5774 -109456.9340 299.8538 -161632.5114 -109096.9709 300.0282 209.1623 234.3800 759985.4224 13.8551 13.8861 PRESSURE: 2796200 164.141 -5.94304 104.694 -5.94268 226.404 -62.7091 104.694 -62.7104 175.562 GPRESSURE: 2796200 286.804 -81.9774 55.3759 -43.7133 161.255 -85.736 140.125 -120.862 188.141 PRESSAVG: 2796200 -3.44843 -25.3757 -21.989 -25.3757 37.9628 -16.1749 -21.9889 -16.175 33.6852 GPRESSAVG: 2796200 -5.1448 -27.6265 -21.8302 -27.1056 38.5532 -18.1485 -22.0522 -17.6444 34.15 TIMING: 2796200 CPU: 8909.32, 0.00313468/step Wall: 8909.32, 0.00313468/step, 1.91894 hours remaining, 234.078125 MB of memory in use. ENERGY: 2796200 3905.9100 20577.2872 14455.0391 225.3918 -203556.1245 2699.1428 0.0000 0.0000 52281.4368 -109411.9167 300.4621 -161693.3536 -109044.5622 299.9713 188.7027 212.0666 760129.3452 22.7332 22.5195 LDB: ============= START OF LOAD BALANCING ============== 8921.73 LDB: ============== END OF LOAD BALANCING =============== 8921.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8921.73 LDB: ============= START OF LOAD BALANCING ============== 8922.05 LDB: Largest compute 7075 load 0.031455 is 16.1% of average load 0.195483 LDB: Average compute 0.004394 is 2.2% of average load 0.195483 LDB: TIME 8922.05 LOAD: AVG 0.195483 MAX 0.218798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 8922.05 LOAD: AVG 0.195483 MAX 0.218798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: TIME 8922.05 LOAD: AVG 0.195483 MAX 0.217677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: ============== END OF LOAD BALANCING =============== 8922.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8922.06 PRESSURE: 2796400 -15.0668 -65.6299 167.932 -65.6297 -299.23 -19.2652 167.933 -19.266 63.0193 GPRESSURE: 2796400 112.139 -55.5136 44.2684 -166.443 -388.644 -21.2716 99.8164 -17.1064 109.117 PRESSAVG: 2796400 52.1585 -58.9759 2.64541 -58.9759 -22.2887 -62.1895 2.64534 -62.1895 -24.7938 GPRESSAVG: 2796400 53.2829 -60.8415 3.17342 -58.733 -23.0665 -60.9348 2.36933 -61.5521 -25.2953 TIMING: 2796400 CPU: 8909.95, 0.00318481/step Wall: 8909.95, 0.00318481/step, 1.94946 hours remaining, 232.589844 MB of memory in use. ENERGY: 2796400 4001.7014 20611.8565 14450.0397 272.4428 -203157.0809 2510.8282 0.0000 0.0000 51899.9008 -109410.3115 298.2694 -161310.2123 -109038.5256 300.1650 -83.7590 -55.7961 762080.1498 1.6920 1.6404 PRESSURE: 2796600 -310.91 110.158 125.224 110.159 173.913 -282.149 125.224 -282.149 -17.1044 GPRESSURE: 2796600 -183.516 55.2769 174.613 111.855 86.3235 -213.54 7.45718 -152.253 13.5608 PRESSAVG: 2796600 -9.65305 -40.474 -59.6208 -40.4741 -39.2307 -50.4845 -59.6208 -50.4844 -29.33 GPRESSAVG: 2796600 -10.1733 -39.5594 -60.1424 -41.3427 -40.7285 -49.7912 -58.6646 -50.5589 -27.9395 TIMING: 2796600 CPU: 8910.57, 0.00310955/step Wall: 8910.57, 0.00310955/step, 1.90322 hours remaining, 232.589844 MB of memory in use. ENERGY: 2796600 4009.0234 20620.7660 14392.5946 261.0383 -202942.0104 2160.0719 0.0000 0.0000 52221.6129 -109276.9031 300.1183 -161498.5161 -108917.4619 299.7236 -51.3671 -27.8771 760015.8231 -26.0713 -26.2804 PRESSURE: 2796800 297.358 -62.5711 101.538 -62.5703 14.1103 -155.488 101.538 -155.487 43.6641 GPRESSURE: 2796800 358.451 -81.6719 81.2808 -186.413 86.8956 -195.935 82.018 -139.514 -26.0061 PRESSAVG: 2796800 -19.4821 -77.1063 12.1115 -77.1063 -37.6044 -77.8053 12.1115 -77.8053 5.82504 GPRESSAVG: 2796800 -20.0752 -73.9629 11.1663 -77.2391 -36.9876 -78.5809 11.2614 -76.4454 5.67126 TIMING: 2796800 CPU: 8911.2, 0.00311701/step Wall: 8911.2, 0.00311701/step, 1.90761 hours remaining, 232.660156 MB of memory in use. ENERGY: 2796800 4002.4576 20479.9395 14475.1787 257.4516 -203536.0239 2727.1731 0.0000 0.0000 52192.0706 -109401.7529 299.9485 -161593.8235 -109025.1024 300.1464 118.3776 139.7801 761029.3942 -17.0871 -17.1305 PRESSURE: 2797000 -107.913 -20.2249 -202.529 -20.2245 -217.111 -158.039 -202.529 -158.038 -270.802 GPRESSURE: 2797000 -1.60605 38.0091 -229.021 -46.9256 -151.879 -150.266 -40.2374 -142.736 -341.48 PRESSAVG: 2797000 71.9062 -2.22928 -45.6587 -2.22929 -61.3946 -26.6248 -45.6587 -26.6248 16.1247 GPRESSAVG: 2797000 71.7492 -3.1939 -46.3845 -4.12398 -60.6839 -24.9693 -44.6658 -28.3255 15.2813 TIMING: 2797000 CPU: 8911.82, 0.00312547/step Wall: 8911.82, 0.00312547/step, 1.91261 hours remaining, 232.660156 MB of memory in use. ENERGY: 2797000 4033.8069 20548.6318 14419.8137 246.3974 -203669.2597 2669.9901 0.0000 0.0000 52179.5646 -109571.0553 299.8767 -161750.6199 -109214.2650 299.5170 -198.6086 -164.9882 761491.4065 8.8788 8.7822 PRESSURE: 2797200 -192.82 51.3295 63.374 51.3297 121.821 192.187 63.3738 192.187 267.166 GPRESSURE: 2797200 -189.012 -31.8643 2.47185 169.063 201.8 201.407 38.5013 88.9819 283.043 PRESSAVG: 2797200 -2.09789 -4.14451 25.2393 -4.14453 29.9827 -60.4604 25.2394 -60.4604 -15.9469 GPRESSAVG: 2797200 -1.72389 -5.48779 27.4701 -1.17645 29.1584 -62.6471 23.1336 -62.0469 -15.4082 TIMING: 2797200 CPU: 8912.45, 0.00311384/step Wall: 8912.45, 0.00311384/step, 1.90533 hours remaining, 232.660156 MB of memory in use. ENERGY: 2797200 4004.0341 20493.2498 14536.5767 246.8564 -203403.5630 2615.9428 0.0000 0.0000 52073.7269 -109433.1763 299.2684 -161506.9032 -109064.6906 299.2972 65.3890 98.6101 760074.1830 3.9793 4.0088 PRESSURE: 2797400 135.815 109.497 11.855 109.497 3.55914 13.2794 11.854 13.2798 272.132 GPRESSURE: 2797400 183.639 97.3118 110.056 133.13 30.6147 3.3041 -75.3204 94.1957 273.271 PRESSAVG: 2797400 43.1377 -29.2874 7.74972 -29.2874 -39.0604 -5.26455 7.74969 -5.26455 11.0656 GPRESSAVG: 2797400 44.3887 -30.7566 8.92425 -29.4631 -38.7662 -4.69485 9.37197 -1.44671 10.2164 TIMING: 2797400 CPU: 8913.07, 0.00314673/step Wall: 8913.07, 0.00314673/step, 1.92528 hours remaining, 232.660156 MB of memory in use. ENERGY: 2797400 3973.9076 20444.2909 14488.6418 238.7060 -202942.2278 2302.6686 0.0000 0.0000 52147.8393 -109346.1734 299.6943 -161494.0127 -108978.3915 299.8790 137.1687 162.5083 760876.5907 5.0476 5.2797 PRESSURE: 2797600 87.0381 -134.605 -150.56 -134.604 -126.882 -27.5546 -150.56 -27.5558 736.359 GPRESSURE: 2797600 126.974 -115.79 -134.204 -110.28 -117.665 -12.4228 -244.282 69.0679 759.969 PRESSAVG: 2797600 51.4437 5.28668 -32.57 5.28666 -50.6242 -3.3391 -32.5699 -3.33906 -11.0973 GPRESSAVG: 2797600 50.507 7.29781 -33.3064 4.93555 -48.8356 -3.53936 -34.986 -1.85057 -11.5114 TIMING: 2797600 CPU: 8913.7, 0.00312429/step Wall: 8913.7, 0.0031243/step, 1.91137 hours remaining, 232.660156 MB of memory in use. ENERGY: 2797600 4011.3007 20411.4888 14457.9382 230.7097 -203141.7219 2394.7299 0.0000 0.0000 52039.6941 -109595.8606 299.0728 -161635.5546 -109232.3699 299.6426 232.1717 256.4258 759545.3102 -3.4259 -3.2800 PRESSURE: 2797800 -142.58 -220.849 121.69 -220.849 248.032 -1.23056 121.689 -1.23113 -109.513 GPRESSURE: 2797800 -94.4232 -324.502 95.6951 -197.415 246.882 48.4689 216.885 -60.5177 -66.1813 PRESSAVG: 2797800 29.7683 -33.9357 -56.0003 -33.9357 -33.3739 -9.40489 -56.0003 -9.40497 -7.30202 GPRESSAVG: 2797800 28.9385 -34.0313 -57.8099 -34.5895 -33.8958 -8.94786 -52.6654 -11.3914 -5.68588 TIMING: 2797800 CPU: 8914.33, 0.00314051/step Wall: 8914.33, 0.00314051/step, 1.92112 hours remaining, 232.660156 MB of memory in use. ENERGY: 2797800 4018.3873 20517.1847 14429.2741 258.8171 -203405.8549 2641.9469 0.0000 0.0000 51754.2924 -109785.9523 297.4326 -161540.2448 -109420.5591 299.2558 -1.3533 28.7591 761385.8887 -3.6359 -3.5477 PRESSURE: 2798000 -42.2761 -79.8809 17.039 -79.8811 -682.176 -133.771 17.0392 -133.771 -217.432 GPRESSURE: 2798000 -21.4976 -97.6477 75.0779 -143.48 -678.508 -256.948 55.4125 58.5339 -151.281 PRESSAVG: 2798000 35.4863 -2.33783 5.10136 -2.33784 -23.6752 49.1394 5.10134 49.1394 10.4374 GPRESSAVG: 2798000 36.515 -4.20275 5.5818 -1.11079 -24.0045 47.6337 5.39066 49.4128 9.93514 TIMING: 2798000 CPU: 8914.96, 0.00313806/step Wall: 8914.96, 0.00313806/step, 1.91945 hours remaining, 232.660156 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: 2798000 4011.1376 20526.9664 14334.0296 240.7613 -203388.1676 2375.5905 0.0000 0.0000 52046.5381 -109853.1440 299.1122 -161899.6822 -109498.7742 298.7479 -313.9612 -283.7621 761279.1909 7.4162 7.4819 PRESSURE: 2798200 -27.6258 185.2 5.73231 185.2 -105.56 124.036 5.73223 124.037 -211.006 GPRESSURE: 2798200 43.7051 202.186 69.9545 203.866 -108.106 25.9816 -113.663 17.3607 -203.528 PRESSAVG: 2798200 35.308 -10.5737 -42.9342 -10.5737 -18.8541 -15.1733 -42.9342 -15.1733 1.12153 GPRESSAVG: 2798200 35.8628 -8.98828 -41.5319 -10.2558 -18.0757 -15.9236 -43.5999 -15.7646 0.135109 TIMING: 2798200 CPU: 8915.58, 0.00313563/step Wall: 8915.58, 0.00313563/step, 1.91778 hours remaining, 232.660156 MB of memory in use. ENERGY: 2798200 3973.3554 20401.7888 14494.5612 226.2032 -203730.3280 2621.7606 0.0000 0.0000 52178.5449 -109834.1140 299.8708 -162012.6589 -109477.6024 298.9229 -114.7305 -89.3096 760501.8415 5.8585 5.9741 PRESSURE: 2798400 -159.005 35.6244 -2.86585 35.6245 90.8696 98.436 -2.86486 98.4371 198.44 GPRESSURE: 2798400 -131.733 26.0526 -65.4823 21.6362 185.457 84.8248 -83.6786 111.977 170.328 PRESSAVG: 2798400 28.776 7.27746 -23.3283 7.27748 -8.14333 -11.5187 -23.3283 -11.5187 18.9061 GPRESSAVG: 2798400 28.9376 6.92081 -25.6795 5.05935 -8.30955 -10.4875 -22.351 -10.6812 19.2917 TIMING: 2798400 CPU: 8916.21, 0.00312263/step Wall: 8916.21, 0.00312263/step, 1.90966 hours remaining, 232.660156 MB of memory in use. ENERGY: 2798400 3944.1894 20468.8796 14445.3452 231.9426 -203672.8146 2581.3760 0.0000 0.0000 52199.2062 -109801.8756 299.9896 -162001.0818 -109435.8858 299.2192 43.4348 74.6840 758529.7188 13.1796 13.3066 PRESSURE: 2798600 333.167 -157.904 -138.954 -157.903 48.7495 103.808 -138.954 103.808 348.116 GPRESSURE: 2798600 402.76 -137.327 -113.785 -70.9588 73.8024 78.9739 -42.7071 166.116 336.286 PRESSAVG: 2798600 23.0526 -61.8949 -51.8032 -61.8949 -26.6887 23.6493 -51.8032 23.6494 14.9213 GPRESSAVG: 2798600 22.1287 -61.7989 -50.6958 -59.4502 -26.3952 25.8111 -52.4895 23.0034 15.5798 TIMING: 2798600 CPU: 8916.83, 0.00310501/step Wall: 8916.83, 0.00310501/step, 1.89871 hours remaining, 232.660156 MB of memory in use. ENERGY: 2798600 3936.5670 20390.8824 14455.8749 248.3525 -202959.7231 2300.7205 0.0000 0.0000 51648.7777 -109978.5482 296.8262 -161627.3258 -109613.6754 298.2864 243.3442 270.9495 759362.6314 3.7617 3.7711 PRESSURE: 2798800 250.555 60.0755 254.247 60.0762 -74.0839 192.195 254.248 192.195 73.8238 GPRESSURE: 2798800 169.669 79.9531 211.269 21.4578 28.7141 200.294 203.074 25.5624 148.68 PRESSAVG: 2798800 -8.29034 -27.804 -57.6793 -27.8039 -37.8441 18.7901 -57.6793 18.7901 -13.8456 GPRESSAVG: 2798800 -8.13313 -27.3225 -56.4031 -27.4664 -37.2247 17.2571 -57.9038 18.8144 -14.7925 TIMING: 2798800 CPU: 8917.45, 0.00312911/step Wall: 8917.45, 0.00312911/step, 1.91328 hours remaining, 232.660156 MB of memory in use. ENERGY: 2798800 3929.5923 20266.9607 14433.6812 240.2146 -203538.0681 2620.1214 0.0000 0.0000 51964.9542 -110082.5438 298.6433 -162047.4980 -109710.9107 297.9626 83.4316 115.6877 760074.5502 -19.9934 -20.0501 PRESSURE: 2799000 -103.488 19.0119 127.785 19.0111 -50.4874 34.0001 127.784 34.0006 -184.806 GPRESSURE: 2799000 -23.1623 -33.0073 118.993 86.223 7.48371 7.63147 16.0483 33.2765 -235.71 PRESSAVG: 2799000 -0.159108 42.018 -0.453203 42.018 10.7229 -48.5958 -0.453224 -48.5958 -9.88279 GPRESSAVG: 2799000 1.80792 41.4472 -0.491436 41.3367 8.57602 -50.5081 -2.77226 -46.1045 -10.1957 TIMING: 2799000 CPU: 8918.08, 0.00312222/step Wall: 8918.08, 0.00312222/step, 1.90889 hours remaining, 232.660156 MB of memory in use. ENERGY: 2799000 3952.6345 20544.1672 14343.0693 223.1902 -203441.4754 2531.5641 0.0000 0.0000 51958.2937 -109888.5564 298.6050 -161846.8501 -109515.5278 298.5997 -112.9271 -83.7961 761073.6356 0.2270 0.0627 PRESSURE: 2799200 252.681 16.6518 201.682 16.6516 -244.091 -145.754 201.682 -145.754 72.9288 GPRESSURE: 2799200 218.947 -37.2749 147.696 19.0256 -117.003 -232.123 218.983 -171.953 79.853 PRESSAVG: 2799200 20.5804 -39.395 2.61772 -39.395 -23.2555 -29.3821 2.61775 -29.3821 -35.806 GPRESSAVG: 2799200 17.9325 -38.9271 2.19592 -39.3866 -21.6324 -28.1176 3.17197 -30.9555 -35.1323 TIMING: 2799200 CPU: 8918.7, 0.00312613/step Wall: 8918.7, 0.00312613/step, 1.91111 hours remaining, 232.660156 MB of memory in use. ENERGY: 2799200 3957.9843 20526.9058 14395.6282 251.5021 -203523.9657 2641.0634 0.0000 0.0000 52184.2722 -109566.6097 299.9037 -161750.8819 -109213.9385 298.9445 27.1732 60.5992 760147.3086 -12.8270 -12.9441 PRESSURE: 2799400 86.4998 67.2301 41.4865 67.2306 375.547 49.1825 41.487 49.1837 236.012 GPRESSURE: 2799400 61.1855 87.0588 8.79529 16.7731 456.491 98.1704 -31.7521 69.2812 258.96 PRESSAVG: 2799400 55.812 -23.6767 10.052 -23.6766 -42.4162 -47.9421 10.052 -47.942 18.0511 GPRESSAVG: 2799400 57.2274 -24.182 9.43932 -24.3647 -42.792 -47.1708 11.817 -46.4065 17.7105 TIMING: 2799400 CPU: 8919.33, 0.00314917/step Wall: 8919.33, 0.00314917/step, 1.92502 hours remaining, 232.660156 MB of memory in use. ENERGY: 2799400 3921.4370 20627.9374 14340.4751 235.1689 -203515.9498 2684.4387 0.0000 0.0000 52036.8994 -109669.5934 299.0568 -161706.4927 -109315.9008 299.1567 232.6863 258.8789 759693.4343 10.4823 10.7153 PRESSURE: 2799600 498.473 283.494 19.2013 283.494 -2.99169 -111.043 19.2011 -111.044 170.86 GPRESSURE: 2799600 475.982 231.255 29.7141 257.409 47.2447 -47.005 -47.1261 -216.657 206.771 PRESSAVG: 2799600 34.0887 -26.4567 -48.4037 -26.4567 2.355 -17.3241 -48.4036 -17.3241 -5.52057 GPRESSAVG: 2799600 33.9604 -28.6298 -46.123 -27.0785 2.01409 -17.7887 -48.7528 -16.8742 -5.39055 TIMING: 2799600 CPU: 8919.96, 0.00313502/step Wall: 8919.96, 0.00313502/step, 1.91619 hours remaining, 232.660156 MB of memory in use. ENERGY: 2799600 3998.1320 20689.0723 14441.5714 227.1106 -203774.1755 2789.0574 0.0000 0.0000 52034.1869 -109595.0449 299.0412 -161629.2318 -109235.5753 299.0516 222.1137 243.3328 760996.1478 10.3077 10.1946 PRESSURE: 2799800 -393.613 -178.286 45.8739 -178.286 -350.041 -308.404 45.8742 -308.404 -309.114 GPRESSURE: 2799800 -235.971 -152.372 96.0841 -181.282 -343.722 -350.975 117.922 -219.632 -377.432 PRESSAVG: 2799800 29.1008 -20.3614 -34.9754 -20.3615 -44.8646 -35.6871 -34.9754 -35.687 11.243 GPRESSAVG: 2799800 29.4801 -17.4331 -37.1365 -20.8967 -44.9177 -36.5306 -35.8232 -35.9625 11.1651 TIMING: 2799800 CPU: 8920.59, 0.0031375/step Wall: 8920.59, 0.0031375/step, 1.91754 hours remaining, 232.660156 MB of memory in use. ENERGY: 2799800 3989.2266 20414.9377 14333.3615 244.2873 -202867.4493 2090.2606 0.0000 0.0000 52159.0105 -109636.3650 299.7586 -161795.3755 -109267.2037 299.0581 -350.9226 -319.0415 761214.0726 -1.5069 -1.4242 PRESSURE: 2800000 -67.0039 -63.5138 71.309 -63.5141 -310.235 -79.1597 71.3086 -79.1594 -272.22 GPRESSURE: 2800000 -75.8458 90.7555 57.6841 -64.792 -240.782 -73.6705 38.4215 -182.362 -246.675 PRESSAVG: 2800000 78.9012 0.0540076 -8.10823 0.0540116 -55.3856 16.3311 -8.10826 16.3312 9.48152 GPRESSAVG: 2800000 78.9315 -2.65537 -8.22542 3.0223 -55.9197 18.4513 -5.98939 14.1709 10.1712 TIMING: 2800000 CPU: 8921.22, 0.00314593/step Wall: 8921.22, 0.00314593/step, 1.92251 hours remaining, 232.660156 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: 2800000 4083.2746 20581.1429 14360.8328 228.5200 -203590.9454 2483.3153 0.0000 0.0000 52115.3899 -109738.4699 299.5079 -161853.8598 -109379.1230 299.0410 -216.4863 -187.7677 760135.8929 10.9990 11.0610 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.4.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 42.8481 -152.182 5.38707 -152.182 12.7213 -9.93521 5.38751 -9.93412 214.477 GPRESSURE: 2800200 31.4543 -50.4992 68.1647 -181.958 35.9532 -123.179 30.4337 -15.4549 266.417 PRESSAVG: 2800200 -1.47001 -36.3558 -19.1021 -36.3558 31.9887 13.4462 -19.1022 13.4461 15.3773 GPRESSAVG: 2800200 -1.54708 -35.6926 -19.5351 -37.8918 31.632 12.5436 -20.939 14.8027 15.428 TIMING: 2800200 CPU: 8921.86, 0.00323965/step Wall: 8921.86, 0.00323965/step, 1.97961 hours remaining, 232.714844 MB of memory in use. ENERGY: 2800200 4025.3793 20596.9991 14366.9267 243.1924 -203808.0103 2770.1471 0.0000 0.0000 51967.8495 -109837.5161 298.6599 -161805.3656 -109479.3471 299.3430 90.0155 111.2748 760045.6518 15.2986 15.1710 LDB: ============= START OF LOAD BALANCING ============== 8934.29 LDB: ============== END OF LOAD BALANCING =============== 8934.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8934.29 LDB: ============= START OF LOAD BALANCING ============== 8934.6 LDB: Largest compute 7025 load 0.031387 is 16.1% of average load 0.195523 LDB: Average compute 0.004406 is 2.3% of average load 0.195523 LDB: TIME 8934.61 LOAD: AVG 0.195523 MAX 0.21616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.902 MB LDB: TIME 8934.61 LOAD: AVG 0.195523 MAX 0.21616 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: TIME 8934.61 LOAD: AVG 0.195523 MAX 0.21616 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: ============== END OF LOAD BALANCING =============== 8934.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8934.61 PRESSURE: 2800400 289.297 -140.486 0.265039 -140.486 563.032 85.9389 0.265115 85.9377 -56.6074 GPRESSURE: 2800400 339.099 -88.9603 -66.5458 -219.355 531.152 81.9823 6.37416 106.09 6.43504 PRESSAVG: 2800400 31.7977 -38.8491 -57.6502 -38.8491 -4.27287 16.286 -57.6502 16.286 -18.0054 GPRESSAVG: 2800400 31.2181 -39.6647 -57.0858 -39.6141 -4.32144 15.9539 -57.3061 16.9227 -17.3472 TIMING: 2800400 CPU: 8922.51, 0.00321291/step Wall: 8922.51, 0.00321291/step, 1.96309 hours remaining, 233.289062 MB of memory in use. ENERGY: 2800400 3991.9217 20470.2493 14480.5139 240.7624 -203759.4290 2581.8904 0.0000 0.0000 52133.1388 -109860.9525 299.6099 -161994.0913 -109499.6211 299.0780 265.2405 292.2287 759227.7090 3.1731 3.1832 PRESSURE: 2800600 222.371 -149.997 -44.9618 -149.998 -115.145 70.0055 -44.9613 70.0055 62.3877 GPRESSURE: 2800600 253.622 53.7891 18.2022 -161.791 14.704 60.2174 -77.5587 25.6298 0.356011 PRESSAVG: 2800600 29.2179 0.319086 -4.59502 0.31912 -20.0908 21.2573 -4.595 21.2573 15.2409 GPRESSAVG: 2800600 31.0505 3.92535 -5.62433 0.786658 -19.4689 19.8552 -5.0117 21.1156 13.6713 TIMING: 2800600 CPU: 8923.14, 0.00314804/step Wall: 8923.14, 0.00314805/step, 1.92328 hours remaining, 233.488281 MB of memory in use. ENERGY: 2800600 4046.7394 20364.1561 14449.2093 261.8596 -203345.3198 2138.8230 0.0000 0.0000 52097.4428 -109987.0896 299.4047 -162084.5324 -109621.1414 299.2400 56.5380 89.5608 758677.2512 8.1227 8.4177 PRESSURE: 2800800 97.5941 -102.206 40.1812 -102.207 231.217 -105.843 40.1811 -105.842 -221.455 GPRESSURE: 2800800 69.9426 -135.497 99.5469 -241.563 287.07 -89.7287 34.3276 -126.853 -141.62 PRESSAVG: 2800800 56.0951 -46.4478 13.6529 -46.4478 -65.573 15.4297 13.6528 15.4296 4.60243 GPRESSAVG: 2800800 53.2087 -47.8577 13.2553 -47.7979 -64.7869 15.844 14.5659 14.887 6.80235 TIMING: 2800800 CPU: 8923.76, 0.00313635/step Wall: 8923.76, 0.00313635/step, 1.91596 hours remaining, 233.488281 MB of memory in use. ENERGY: 2800800 4041.2790 20432.5488 14396.3311 247.7949 -203745.5902 2993.3247 0.0000 0.0000 51894.5534 -109739.7583 298.2387 -161634.3117 -109385.9577 299.5134 35.7853 71.7977 758928.4812 -1.6251 -1.5919 PRESSURE: 2801000 87.8083 -46.6166 -191.6 -46.6157 119.996 78.6279 -191.599 78.6288 304.197 GPRESSURE: 2801000 234.497 95.1594 -285.534 -69.4316 136.65 143.719 -119.415 -73.3041 233.847 PRESSAVG: 2801000 58.6693 68.0188 13.0642 68.0188 -34.1586 44.1144 13.0642 44.1145 4.9817 GPRESSAVG: 2801000 60.2691 67.4511 14.4993 69.1094 -34.8307 44.3819 11.6068 43.7057 2.97597 TIMING: 2801000 CPU: 8924.39, 0.00313267/step Wall: 8924.39, 0.00313267/step, 1.91354 hours remaining, 233.894531 MB of memory in use. ENERGY: 2801000 3926.0058 20677.9065 14386.8297 255.1072 -203450.6149 2505.7923 0.0000 0.0000 52231.8887 -109467.0848 300.1774 -161698.9734 -109102.5750 299.6099 170.6671 201.6647 759168.5742 9.8308 9.4715 PRESSURE: 2801200 -279.913 193.876 62.4954 193.876 35.2725 -119.423 62.4944 -119.424 288.098 GPRESSURE: 2801200 -217.165 140.39 27.5198 143.664 36.2128 -145.636 -76.1407 -126.133 304.557 PRESSAVG: 2801200 43.0411 -36.033 -26.65 -36.033 -34.9525 -14.1105 -26.6501 -14.1106 -14.779 GPRESSAVG: 2801200 43.4473 -34.8811 -28.0693 -36.8573 -35.945 -14.5732 -25.3537 -13.161 -14.3128 TIMING: 2801200 CPU: 8925.02, 0.0031411/step Wall: 8925.02, 0.0031411/step, 1.91852 hours remaining, 233.894531 MB of memory in use. ENERGY: 2801200 3945.6594 20489.9248 14451.7908 248.3018 -203620.8876 2776.6217 0.0000 0.0000 52330.0885 -109378.5005 300.7417 -161708.5890 -109011.1054 300.2875 14.4858 41.2016 760012.8958 -2.2302 -2.2702 PRESSURE: 2801400 463.202 177.87 115.236 177.869 131.806 101.509 115.236 101.509 75.3069 GPRESSURE: 2801400 540.77 166.404 142.388 193.922 94.5374 174.1 23.4083 39.8414 128.482 PRESSAVG: 2801400 30.2188 -52.089 20.9027 -52.0891 -42.549 -39.295 20.9027 -39.2951 16.4529 GPRESSAVG: 2801400 30.8689 -51.7573 23.5107 -50.7146 -42.9033 -38.3416 20.0588 -38.9903 16.1079 TIMING: 2801400 CPU: 8925.64, 0.00312868/step Wall: 8925.64, 0.00312868/step, 1.91075 hours remaining, 233.910156 MB of memory in use. ENERGY: 2801400 4015.4078 20579.8840 14382.2377 242.3515 -203861.7252 2902.6414 0.0000 0.0000 52252.9325 -109486.2703 300.2983 -161739.2028 -109127.7729 300.0881 223.4385 254.5965 759305.2933 1.3743 1.3579 PRESSURE: 2801600 -169.445 -41.2182 57.7951 -41.2182 84.5859 -121.843 57.7947 -121.844 365.334 GPRESSURE: 2801600 -239.165 92.0538 -41.6313 -132.27 167.029 -62.5062 -8.67677 -149.802 452.106 PRESSAVG: 2801600 40.837 -67.8724 -6.03478 -67.8723 -51.8213 -47.5175 -6.03473 -47.5175 -10.0334 GPRESSAVG: 2801600 39.7039 -69.9989 -8.17901 -67.8911 -50.8552 -47.2678 -6.00924 -49.3325 -9.17022 TIMING: 2801600 CPU: 8926.27, 0.00312645/step Wall: 8926.27, 0.00312645/step, 1.90922 hours remaining, 233.910156 MB of memory in use. ENERGY: 2801600 3982.9762 20430.1733 14416.8713 249.6696 -203203.8012 2544.0690 0.0000 0.0000 51928.6999 -109651.3419 298.4350 -161580.0418 -109294.7589 299.5279 93.4915 126.6565 760616.5407 -7.0059 -6.7739 PRESSURE: 2801800 -129.798 -130.696 -273.233 -130.696 -231.187 -213.526 -273.234 -213.525 -218.682 GPRESSURE: 2801800 -23.1653 -92.1942 -281.148 -69.5493 -218.31 -100.519 -163.197 -91.9636 -247.198 PRESSAVG: 2801800 -2.73648 -52.6303 -51.378 -52.6303 -56.5001 -64.093 -51.378 -64.093 14.8141 GPRESSAVG: 2801800 -2.41899 -50.8064 -53.5779 -52.3047 -57.4289 -62.6008 -51.21 -64.2143 15.3248 TIMING: 2801800 CPU: 8926.9, 0.00313236/step Wall: 8926.9, 0.00313236/step, 1.91265 hours remaining, 233.910156 MB of memory in use. ENERGY: 2801800 3919.3431 20541.0338 14444.9378 240.1449 -203105.0009 2169.0735 0.0000 0.0000 51976.2175 -109814.2502 298.7080 -161790.4677 -109456.2442 298.9319 -193.2222 -162.8911 759427.4646 -14.8075 -14.8410 PRESSURE: 2802000 95.8175 -98.1249 33.3801 -98.1261 -217.198 33.3658 33.3798 33.3666 -310.279 GPRESSURE: 2802000 94.2284 -104.221 75.668 -119.294 -138.687 53.1863 28.0915 -90.7602 -286.095 PRESSAVG: 2802000 59.971 -55.2056 -14.6734 -55.2056 -71.8111 -33.2713 -14.6733 -33.2712 -20.5986 GPRESSAVG: 2802000 61.5073 -55.0709 -12.0494 -54.7319 -72.4246 -34.5874 -14.8075 -32.1404 -21.5945 TIMING: 2802000 CPU: 8927.52, 0.00313728/step Wall: 8927.52, 0.00313728/step, 1.91548 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2802000 3964.5906 20591.0451 14445.1327 253.3540 -203480.2246 2526.9956 0.0000 0.0000 52055.3549 -109643.7518 299.1628 -161699.1066 -109274.4786 299.3021 -143.8867 -110.1846 761481.5654 -10.8129 -10.8373 PRESSURE: 2802200 -125.065 41.6361 -189.046 41.6359 -154.981 405.321 -189.046 405.319 80.103 GPRESSURE: 2802200 -81.5331 47.6627 -79.8384 34.9662 -108.457 423.122 -252.54 235.172 55.5352 PRESSAVG: 2802200 51.6848 1.48082 33.3244 1.48084 -34.4083 -105.478 33.3245 -105.478 0.995903 GPRESSAVG: 2802200 52.0918 1.04467 33.7662 0.258483 -35.3259 -105.642 33.3748 -107.982 1.59423 TIMING: 2802200 CPU: 8928.15, 0.00311649/step Wall: 8928.15, 0.00311649/step, 1.90262 hours remaining, 233.910156 MB of memory in use. ENERGY: 2802200 3908.3489 20602.9950 14342.6946 255.4359 -203295.8125 2286.2119 0.0000 0.0000 52058.5676 -109841.5587 299.1813 -161900.1263 -109472.8148 299.4699 -66.6475 -44.8185 759308.4051 6.0908 6.1200 PRESSURE: 2802400 52.2289 -144.815 -134.531 -144.815 -76.8613 -276.459 -134.53 -276.458 167.167 GPRESSURE: 2802400 135.442 -96.5936 -125.13 -192.93 -22.9558 -282.49 -170.043 -72.5421 105.308 PRESSAVG: 2802400 -13.1919 -28.6478 1.2289 -28.6478 -21.4423 -28.1225 1.22888 -28.1226 12.5783 GPRESSAVG: 2802400 -15.0962 -27.917 0.902469 -29.2346 -19.5378 -26.2391 0.818568 -25.4065 12.0856 TIMING: 2802400 CPU: 8928.77, 0.00310333/step Wall: 8928.77, 0.00310333/step, 1.89441 hours remaining, 233.910156 MB of memory in use. ENERGY: 2802400 3949.5873 20520.1237 14380.9348 250.9542 -203218.8318 2154.7141 0.0000 0.0000 52363.1466 -109599.3710 300.9317 -161962.5177 -109235.3786 299.2974 47.5116 72.5982 758619.3188 -7.3520 -7.5161 PRESSURE: 2802600 -99.8425 2.76966 167.172 2.76922 -179.32 80.4817 167.172 80.4807 -444.921 GPRESSURE: 2802600 -65.9344 -35.4212 127.852 14.296 -127.728 98.563 237.16 -55.1376 -439.601 PRESSAVG: 2802600 81.7972 -95.8634 27.5616 -95.8634 -81.7644 -45.7436 27.5616 -45.7436 -11.3209 GPRESSAVG: 2802600 80.9604 -96.4777 28.7651 -94.2251 -81.2254 -46.6885 26.3769 -43.7137 -11.4502 TIMING: 2802600 CPU: 8929.39, 0.00311737/step Wall: 8929.39, 0.00311737/step, 1.90281 hours remaining, 233.910156 MB of memory in use. ENERGY: 2802600 4080.1980 20350.5538 14396.7002 267.8513 -203119.1686 2275.9235 0.0000 0.0000 51904.0662 -109843.8758 298.2934 -161747.9419 -109475.8515 299.3951 -241.3610 -211.0877 758635.4138 -3.7627 -3.9051 PRESSURE: 2802800 41.4192 -152.673 -191.821 -152.674 51.2457 33.6851 -191.821 33.6866 -259.203 GPRESSURE: 2802800 -4.82769 -12.5335 -211.989 -210.982 129.311 153.731 -149.628 20.07 -195.386 PRESSAVG: 2802800 17.1813 -58.5973 0.67918 -58.5973 -0.483563 -3.3922 0.679189 -3.39216 15.4934 GPRESSAVG: 2802800 16.8481 -57.7325 -1.76037 -59.2677 -1.13135 -4.26657 3.53005 -5.68442 16.5163 TIMING: 2802800 CPU: 8930.01, 0.00311243/step Wall: 8930.01, 0.00311243/step, 1.89962 hours remaining, 233.910156 MB of memory in use. ENERGY: 2802800 3985.3268 20323.2231 14471.0376 237.7325 -202943.9229 2212.6239 0.0000 0.0000 51912.8656 -109801.1134 298.3440 -161713.9790 -109433.7448 298.8825 -55.5127 -23.6340 760333.9545 10.7304 10.7443 PRESSURE: 2803000 122.443 -187.833 225.078 -187.833 76.3971 -221.991 225.077 -221.992 -219.768 GPRESSURE: 2803000 170.555 -161.961 307.622 -233.175 55.6308 -307.924 132.719 -46.4187 -160.12 PRESSAVG: 2803000 44.7793 -53.788 4.55044 -53.788 -40.7714 41.6792 4.55042 41.6792 22.9561 GPRESSAVG: 2803000 45.5464 -55.1592 4.6425 -51.8906 -40.5121 42.9477 3.12448 42.2946 21.9399 TIMING: 2803000 CPU: 8930.64, 0.00312414/step Wall: 8930.64, 0.00312414/step, 1.90659 hours remaining, 233.910156 MB of memory in use. ENERGY: 2803000 4080.4482 20455.4291 14414.4423 242.4464 -203587.8948 2703.4113 0.0000 0.0000 51817.3680 -109874.3496 297.7951 -161691.7176 -109512.4152 298.8232 -6.9761 22.0218 760120.0392 8.9880 8.9914 PRESSURE: 2803200 232.131 -150.419 -135.53 -150.419 -17.4856 48.0215 -135.53 48.0213 -32.4714 GPRESSURE: 2803200 301.093 -232.216 -42.0043 -162.006 70.6691 116.796 -64.9661 205.655 -82.3992 PRESSAVG: 2803200 36.2744 -39.0529 -0.385207 -39.0529 -32.6325 -1.85431 -0.385218 -1.85426 -1.55391 GPRESSAVG: 2803200 36.9451 -39.176 0.831324 -40.696 -33.5771 -3.03678 0.97852 -0.738353 -1.50235 TIMING: 2803200 CPU: 8931.26, 0.00311044/step Wall: 8931.26, 0.00311044/step, 1.89806 hours remaining, 233.910156 MB of memory in use. ENERGY: 2803200 3951.1142 20352.3208 14386.3832 243.3233 -203498.3491 2529.5323 0.0000 0.0000 51909.1598 -110126.5154 298.3227 -162035.6752 -109771.9858 298.5617 60.7248 96.4544 759555.4173 0.6960 0.6219 PRESSURE: 2803400 139.077 -148.355 -227.061 -148.354 -220.032 225.759 -227.061 225.759 116.19 GPRESSURE: 2803400 166.567 -166.339 -182.983 -26.1393 -194.308 170.04 -127.338 129.879 145.459 PRESSAVG: 2803400 16.358 -80.2081 3.37966 -80.2081 17.6273 55.1819 3.37971 55.1818 -1.08199 GPRESSAVG: 2803400 15.7166 -80.6764 3.36926 -78.8838 18.1867 53.9371 2.66974 55.2888 -0.87783 TIMING: 2803400 CPU: 8931.89, 0.00312704/step Wall: 8931.89, 0.00312704/step, 1.90802 hours remaining, 233.910156 MB of memory in use. ENERGY: 2803400 3946.7252 20446.9419 14327.3421 241.7108 -203888.0948 2783.5081 0.0000 0.0000 51798.2819 -110343.5848 297.6854 -162141.8667 -109984.0905 298.1395 11.7452 39.2391 759532.4789 10.9678 11.0085 PRESSURE: 2803600 141.589 -84.4575 243.512 -84.4588 52.4489 164.179 243.512 164.179 79.7882 GPRESSURE: 2803600 118.782 -98.7399 168.771 -43.2789 171.396 177.783 187.638 135.565 72.9601 PRESSAVG: 2803600 89.603 -35.1097 -45.9284 -35.1097 -77.0392 54.8231 -45.9284 54.8232 13.222 GPRESSAVG: 2803600 89.3067 -32.4273 -46.998 -36.0591 -76.1562 56.3546 -45.4332 53.8735 12.4228 TIMING: 2803600 CPU: 8932.51, 0.00311381/step Wall: 8932.51, 0.00311381/step, 1.89977 hours remaining, 233.910156 MB of memory in use. ENERGY: 2803600 3953.0110 20421.4189 14361.4189 254.6080 -203949.3176 2608.8870 0.0000 0.0000 52030.2210 -110319.7528 299.0184 -162349.9738 -109954.0131 297.9301 91.2752 121.0461 759590.8286 8.5953 8.5244 PRESSURE: 2803800 117.579 -214.177 -19.9225 -214.176 115.414 -21.7629 -19.922 -21.7618 80.2943 GPRESSURE: 2803800 167.355 -90.7167 -50.7483 -232.239 154.462 37.0212 87.9928 34.0522 80.7681 PRESSAVG: 2803800 6.63006 -28.0722 -14.6599 -28.0723 1.25272 35.6337 -14.66 35.6336 -11.6901 GPRESSAVG: 2803800 6.66469 -30.3987 -13.1653 -26.0002 0.526221 34.7289 -16.8158 36.2504 -11.1146 TIMING: 2803800 CPU: 8933.14, 0.00315899/step Wall: 8933.14, 0.00315899/step, 1.92716 hours remaining, 233.910156 MB of memory in use. ENERGY: 2803800 3924.4924 20482.5641 14366.7357 250.8509 -203647.2697 2449.6267 0.0000 0.0000 51929.7526 -110243.2473 298.4410 -162172.9999 -109886.6882 298.1440 104.4290 134.1951 758384.5157 -1.2691 -1.3079 PRESSURE: 2804000 -13.2381 -22.1901 78.4723 -22.1907 108.817 26.7314 78.4714 26.7323 -20.9154 GPRESSURE: 2804000 32.3904 -82.8568 100.22 87.2653 130.957 77.2888 111.067 -45.8101 -8.49964 PRESSAVG: 2804000 56.098 -30.7652 -5.28472 -30.7652 -8.47778 23.6924 -5.28484 23.6924 -9.89781 GPRESSAVG: 2804000 56.7039 -29.465 -6.78529 -31.4291 -9.06927 24.7203 -2.26834 22.5199 -10.2732 TIMING: 2804000 CPU: 8933.77, 0.00313933/step Wall: 8933.77, 0.00313933/step, 1.91499 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2804000 3950.4673 20530.4801 14368.5714 276.4448 -203731.7273 2494.1157 0.0000 0.0000 51723.7764 -110387.8716 297.2573 -162111.6480 -110037.1904 297.8717 24.8879 51.6160 758809.5982 12.5741 12.4538 PRESSURE: 2804200 -30.374 134.529 117.68 134.528 -241.297 -103.717 117.68 -103.716 -43.8603 GPRESSURE: 2804200 -8.75663 32.9364 126.129 102.767 -185.997 -15.5269 -8.80684 -161.533 -32.1845 PRESSAVG: 2804200 -5.06112 6.43356 55.1858 6.43359 -33.926 -26.656 55.1858 -26.6559 22.0379 GPRESSAVG: 2804200 -5.68699 6.10151 55.696 5.45805 -32.6257 -26.8079 54.4912 -27.2557 21.3609 TIMING: 2804200 CPU: 8934.39, 0.00313121/step Wall: 8934.39, 0.00313121/step, 1.90986 hours remaining, 233.910156 MB of memory in use. ENERGY: 2804200 3964.7970 20450.8581 14390.1000 244.1428 -203569.3409 2368.0710 0.0000 0.0000 51702.9391 -110448.4328 297.1375 -162151.3719 -110083.9084 297.6017 -105.1772 -75.6461 760200.7291 -5.6498 -5.6506 LDB: ============= START OF LOAD BALANCING ============== 8946.81 LDB: ============== END OF LOAD BALANCING =============== 8946.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8946.82 LDB: ============= START OF LOAD BALANCING ============== 8947.13 LDB: Largest compute 7052 load 0.031185 is 16.0% of average load 0.195514 LDB: Average compute 0.004394 is 2.2% of average load 0.195514 LDB: TIME 8947.13 LOAD: AVG 0.195514 MAX 0.218774 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 8947.13 LOAD: AVG 0.195514 MAX 0.218774 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: TIME 8947.13 LOAD: AVG 0.195514 MAX 0.217095 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: ============== END OF LOAD BALANCING =============== 8947.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8947.14 PRESSURE: 2804400 -43.7698 180.552 161.323 180.552 2.88231 26.7727 161.323 26.773 -637.352 GPRESSURE: 2804400 -33.5286 177.599 180.867 197.211 55.3705 -13.8481 217.729 84.5251 -615.209 PRESSAVG: 2804400 44.289 -47.2656 -9.19145 -47.2656 -45.5553 -26.9606 -9.19142 -26.9605 -10.4505 GPRESSAVG: 2804400 42.7438 -46.9996 -8.07955 -46.5063 -45.248 -26.478 -9.80093 -26.8109 -9.57551 TIMING: 2804400 CPU: 8935.03, 0.00318925/step Wall: 8935.03, 0.00318925/step, 1.94509 hours remaining, 233.933594 MB of memory in use. ENERGY: 2804400 3972.1992 20279.1872 14345.8024 226.2701 -203310.3424 2171.1996 0.0000 0.0000 51839.6462 -110476.0377 297.9232 -162315.6839 -110106.8938 297.3898 -226.0799 -197.7890 760085.8304 -3.9056 -4.0266 PRESSURE: 2804600 -47.4411 -8.49579 -0.59133 -8.49601 203.468 10.5388 -0.591869 10.5385 -272.694 GPRESSURE: 2804600 39.712 -68.5046 -11.2486 -8.92135 169.428 -28.2649 26.6389 -40.1212 -232.457 PRESSAVG: 2804600 -5.39012 -14.8851 0.888954 -14.8851 51.9039 -47.8701 0.889012 -47.8702 -5.39544 GPRESSAVG: 2804600 -4.07587 -14.9669 1.25169 -15.1468 50.7843 -50.1856 2.24234 -47.2556 -5.79617 TIMING: 2804600 CPU: 8935.65, 0.00310559/step Wall: 8935.65, 0.00310559/step, 1.89389 hours remaining, 234.132812 MB of memory in use. ENERGY: 2804600 4037.8202 20378.2383 14374.1234 245.1535 -204026.6207 2886.0092 0.0000 0.0000 52019.2308 -110086.0452 298.9552 -162105.2760 -109725.9017 297.9441 -38.8890 -7.7723 759359.7757 13.7061 13.6374 PRESSURE: 2804800 -12.4922 -62.1137 -36.1498 -62.1139 -168.467 -101.789 -36.1489 -101.789 360.174 GPRESSURE: 2804800 44.0862 -81.3369 -38.5754 -136.457 -93.5962 -79.7363 -5.85324 -98.1529 315.682 PRESSAVG: 2804800 -33.1247 -44.0701 11.3379 -44.07 23.7295 -54.1258 11.3379 -54.1258 -28.8072 GPRESSAVG: 2804800 -33.3215 -43.9315 10.2609 -43.8963 23.162 -50.8158 10.107 -54.5386 -28.0819 TIMING: 2804800 CPU: 8936.28, 0.00311603/step Wall: 8936.28, 0.00311603/step, 1.90009 hours remaining, 234.390625 MB of memory in use. ENERGY: 2804800 3865.2617 20390.9007 14416.4964 243.1701 -203763.6981 2733.9117 0.0000 0.0000 52079.2608 -110034.6966 299.3002 -162113.9573 -109670.3191 298.5739 59.7384 88.7240 760567.9210 -12.7342 -12.7471 PRESSURE: 2805000 91.4953 184.981 60.4289 184.98 -13.1414 -71.0051 60.4293 -71.0048 -391.299 GPRESSURE: 2805000 40.3684 144.171 63.2231 118.296 25.3239 -102.906 133.363 14.9954 -271.074 PRESSAVG: 2805000 -21.1317 -60.4063 10.3937 -60.4062 -18.1848 -42.6847 10.3938 -42.6848 -29.5925 GPRESSAVG: 2805000 -21.3916 -61.4776 9.77305 -60.3773 -16.8212 -45.5249 12.11 -42.3205 -30.9727 TIMING: 2805000 CPU: 8936.9, 0.00313733/step Wall: 8936.9, 0.00313733/step, 1.9129 hours remaining, 234.390625 MB of memory in use. ENERGY: 2805000 3957.3633 20384.9507 14375.1213 260.7844 -203407.8593 2566.7088 0.0000 0.0000 51708.3156 -110154.6153 297.1684 -161862.9309 -109794.6633 298.5541 -104.3152 -68.4606 760032.2475 -22.9696 -23.0618 PRESSURE: 2805200 -279.192 -0.0744847 67.8069 -0.0745139 -156.161 -9.95205 67.8064 -9.9509 -399.067 GPRESSURE: 2805200 -215.282 -7.09969 18.6189 80.6096 -123.855 16.5032 109.21 -41.8077 -402.181 PRESSAVG: 2805200 92.0727 -15.9471 0.727492 -15.9471 -62.4722 26.0793 0.727496 26.0793 -14.5643 GPRESSAVG: 2805200 92.7553 -14.9449 2.01943 -15.3935 -62.9047 26.8618 -0.782577 26.6016 -14.9423 TIMING: 2805200 CPU: 8937.53, 0.00311941/step Wall: 8937.53, 0.00311941/step, 1.9018 hours remaining, 234.390625 MB of memory in use. ENERGY: 2805200 3985.1586 20536.1587 14458.0328 248.9207 -203231.7696 2094.6035 0.0000 0.0000 51776.2793 -110132.6160 297.5590 -161908.8954 -109769.7093 298.6448 -278.1401 -247.1062 759465.1080 5.0121 4.9694 PRESSURE: 2805400 -27.7397 -81.8203 94.6088 -81.8218 226.244 40.597 94.6091 40.597 -320.61 GPRESSURE: 2805400 10.4006 -191.625 111.348 -7.76171 206.521 -7.62683 -1.99467 71.3324 -259.191 PRESSAVG: 2805400 0.0346018 -73.3497 21.0396 -73.3498 -17.6901 -10.2822 21.0395 -10.2822 -5.5905 GPRESSAVG: 2805400 -0.609117 -72.9804 20.5889 -75.6335 -16.5714 -9.50684 22.0247 -8.24152 -6.11188 TIMING: 2805400 CPU: 8938.15, 0.0031332/step Wall: 8938.15, 0.0031332/step, 1.91003 hours remaining, 234.390625 MB of memory in use. ENERGY: 2805400 3911.7404 20473.0952 14403.2328 245.5882 -203720.0466 2618.5354 0.0000 0.0000 51923.5480 -110144.3068 298.4053 -162067.8548 -109785.0412 298.3485 -40.7020 -14.0898 761339.1517 -7.7487 -7.7641 PRESSURE: 2805600 180.519 56.5314 -166.368 56.5306 -154.553 -114.611 -166.367 -114.611 -32.6324 GPRESSURE: 2805600 201.126 -11.4501 -136.87 175.284 -47.1839 -172.357 -137.968 -85.0017 -63.7762 PRESSAVG: 2805600 22.5243 -23.4768 -42.1921 -23.4767 35.092 -38.8127 -42.192 -38.8127 18.8965 GPRESSAVG: 2805600 23.3297 -23.2184 -43.4675 -24.9631 34.3761 -38.4423 -42.174 -39.2494 19.0508 TIMING: 2805600 CPU: 8938.78, 0.00311868/step Wall: 8938.78, 0.00311868/step, 1.90101 hours remaining, 234.390625 MB of memory in use. ENERGY: 2805600 3918.2178 20419.7573 14399.2238 246.0844 -203928.0877 2577.3422 0.0000 0.0000 51970.8799 -110396.5824 298.6774 -162367.4623 -110037.0448 298.1404 -2.2221 30.0553 760545.2811 25.5043 25.5855 PRESSURE: 2805800 34.7836 145.561 -8.26642 145.561 -360.841 -78.318 -8.26614 -78.3178 -236.218 GPRESSURE: 2805800 128.665 99.51 10.5191 63.678 -392.106 -117.279 -29.9383 -228.224 -226.366 PRESSAVG: 2805800 23.8685 -25.4608 -26.2735 -25.4608 -42.9821 -35.624 -26.2734 -35.6241 1.01572 GPRESSAVG: 2805800 24.5018 -29.0282 -24.4315 -23.8547 -43.3014 -36.9267 -28.6168 -36.3927 0.681678 TIMING: 2805800 CPU: 8939.4, 0.00311633/step Wall: 8939.4, 0.00311633/step, 1.8994 hours remaining, 234.390625 MB of memory in use. ENERGY: 2805800 3988.3197 20592.8468 14321.1165 232.6817 -203883.8342 2697.8594 0.0000 0.0000 51762.8934 -110288.1167 297.4821 -162051.0101 -109930.5190 297.8434 -187.4252 -163.2692 759866.2631 -6.0326 -6.0393 PRESSURE: 2806000 -270.316 -94.5877 107.087 -94.5885 -24.3371 -62.7865 107.087 -62.7867 153.656 GPRESSURE: 2806000 -228.613 -102.433 118.448 -40.4456 5.93434 -60.0564 173.766 -95.3553 154.012 PRESSAVG: 2806000 16.583 -24.714 12.9686 -24.714 -72.9218 -51.6346 12.9686 -51.6345 16.9366 GPRESSAVG: 2806000 15.6658 -22.004 12.1197 -26.0909 -72.3807 -50.319 14.8533 -52.2588 17.3558 TIMING: 2806000 CPU: 8940.03, 0.00314896/step Wall: 8940.03, 0.00314896/step, 1.91912 hours remaining, 234.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2806000 3952.2139 20659.8658 14371.4699 241.2021 -203439.4206 2307.1720 0.0000 0.0000 51626.8198 -110280.6770 296.7000 -161907.4968 -109926.6393 297.9234 -46.9989 -22.8889 759451.0621 -13.1341 -13.1197 PRESSURE: 2806200 290.301 -15.4698 -75.0826 -15.4693 -223.179 19.4123 -75.0819 19.4124 -52.8971 GPRESSURE: 2806200 293.318 66.4894 -54.669 128.086 -146.445 108.234 -70.038 -36.1038 -37.1539 PRESSAVG: 2806200 72.7874 38.1786 -24.4667 38.1786 -39.2638 14.9347 -24.4667 14.9347 4.89885 GPRESSAVG: 2806200 71.9622 36.7089 -26.1257 42.0396 -37.7648 15.1109 -21.4625 18.6395 4.2803 TIMING: 2806200 CPU: 8940.66, 0.00313686/step Wall: 8940.66, 0.00313686/step, 1.91157 hours remaining, 234.390625 MB of memory in use. ENERGY: 2806200 4051.6414 20567.1592 14426.2160 231.2749 -203707.4129 2433.9476 0.0000 0.0000 51746.1578 -110251.0161 297.3859 -161997.1739 -109891.7476 297.7348 4.7418 36.5732 757793.7905 12.8075 12.8259 PRESSURE: 2806400 193.874 -33.424 35.5803 -33.4247 -149.831 257.445 35.5808 257.445 -444.943 GPRESSURE: 2806400 244.163 83.4587 55.7134 -81.9006 -187.43 228.981 -90.1021 59.8776 -370.15 PRESSAVG: 2806400 24.6075 -8.84449 13.0228 -8.84449 3.92888 -21.4739 13.0227 -21.4738 -9.13108 GPRESSAVG: 2806400 25.4686 -8.77367 16.0042 -9.91382 1.48638 -22.1591 8.41154 -25.0221 -7.56092 TIMING: 2806400 CPU: 8941.29, 0.00314106/step Wall: 8941.29, 0.00314106/step, 1.91395 hours remaining, 234.390625 MB of memory in use. ENERGY: 2806400 3979.8396 20507.1705 14346.7555 238.7637 -203460.3739 2417.8288 0.0000 0.0000 51674.0187 -110295.9971 296.9713 -161970.0158 -109934.9180 297.8964 -133.6331 -104.4724 758725.5310 6.4684 6.4647 PRESSURE: 2806600 295.453 231.01 -111.415 231.012 137.477 -81.0322 -111.416 -81.033 -108.376 GPRESSURE: 2806600 344.003 80.2284 -31.1087 150.63 162.682 -84.4719 -67.3398 -87.4335 -100.894 PRESSAVG: 2806600 7.75687 -34.6401 -31.6655 -34.6401 0.831092 36.5204 -31.6656 36.5204 4.24145 GPRESSAVG: 2806600 8.07587 -33.9202 -32.4384 -36.8025 1.98818 38.5258 -28.9661 34.3788 2.62003 TIMING: 2806600 CPU: 8941.91, 0.00313342/step Wall: 8941.91, 0.00313342/step, 1.90913 hours remaining, 234.390625 MB of memory in use. ENERGY: 2806600 4007.9771 20609.6033 14331.8967 254.1379 -203960.3659 2891.3200 0.0000 0.0000 51698.7990 -110166.6320 297.1137 -161865.4310 -109816.9443 297.9913 108.1848 135.2638 759798.2653 4.2765 4.2280 PRESSURE: 2806800 87.5882 15.2873 115.336 15.2868 -162.715 60.8272 115.336 60.8266 11.6862 GPRESSURE: 2806800 87.4727 73.4908 102.138 -19.8357 -74.3945 70.0443 9.00268 150.424 24.5645 PRESSAVG: 2806800 3.44802 -28.6776 -42.0696 -28.6776 16.1139 -15.1542 -42.0696 -15.1542 3.07707 GPRESSAVG: 2806800 3.22459 -28.8914 -41.8804 -27.5261 15.9985 -18.1739 -42.0954 -12.3354 3.29375 TIMING: 2806800 CPU: 8942.54, 0.00311424/step Wall: 8942.54, 0.00311424/step, 1.89727 hours remaining, 234.390625 MB of memory in use. ENERGY: 2806800 4048.8716 20429.1306 14356.0424 262.2532 -203724.0637 2582.2754 0.0000 0.0000 51995.6410 -110049.8495 298.8197 -162045.4905 -109692.5781 298.2141 -21.1470 12.5476 759752.5165 7.5463 7.5056 PRESSURE: 2807000 -15.4469 106.604 79.0849 106.604 48.3432 -76.2186 79.0845 -76.2191 252.073 GPRESSURE: 2807000 -28.487 162.71 81.9582 179.417 57.1193 -40.2137 43.3469 -122.027 322.298 PRESSAVG: 2807000 42.3852 -22.848 11.1969 -22.848 -17.4524 -40.0629 11.1969 -40.0628 9.03681 GPRESSAVG: 2807000 43.2346 -22.5976 9.80729 -22.8461 -18.9617 -38.9804 9.64723 -40.2451 9.11787 TIMING: 2807000 CPU: 8943.16, 0.00312942/step Wall: 8943.16, 0.00312942/step, 1.90634 hours remaining, 234.390625 MB of memory in use. ENERGY: 2807000 3958.9636 20635.3109 14401.3539 253.9856 -203831.6760 2575.0921 0.0000 0.0000 51817.5603 -110189.4095 297.7962 -162006.9698 -109835.8974 298.1741 94.9898 116.9767 760535.4010 11.3232 11.1303 PRESSURE: 2807200 48.5059 -81.4307 -102.612 -81.4315 -177.176 -39.8437 -102.612 -39.8429 110.278 GPRESSURE: 2807200 27.9045 -132.975 -136.885 -112.104 -54.1537 -44.7532 -213.119 26.2298 92.7668 PRESSAVG: 2807200 -22.9585 -51.7644 -16.235 -51.7644 41.2787 -82.0873 -16.2351 -82.0874 11.5391 GPRESSAVG: 2807200 -24.2076 -50.18 -15.4176 -50.4652 42.8584 -83.3258 -15.5528 -78.3206 11.4057 TIMING: 2807200 CPU: 8943.79, 0.00312844/step Wall: 8943.79, 0.00312844/step, 1.90557 hours remaining, 234.390625 MB of memory in use. ENERGY: 2807200 3919.9843 20493.9744 14409.0775 253.7554 -203435.9536 2381.7679 0.0000 0.0000 51757.2640 -110220.1303 297.4497 -161977.3942 -109861.0005 297.8401 -6.1305 22.1726 760551.7428 9.9531 10.0189 PRESSURE: 2807400 367.292 104.353 -58.0897 104.353 175.391 196.771 -58.0904 196.771 30.7149 GPRESSURE: 2807400 356.465 99.3081 -84.4873 152.535 236.129 129.124 -60.9589 67.3062 42.2359 PRESSAVG: 2807400 -13.4773 -4.85918 1.63131 -4.85917 -2.06207 -36.5282 1.63134 -36.5282 6.42154 GPRESSAVG: 2807400 -13.6075 -7.37463 0.792131 -5.77453 -3.5727 -34.0286 0.503727 -41.3564 8.05739 TIMING: 2807400 CPU: 8944.41, 0.0031304/step Wall: 8944.41, 0.0031304/step, 1.90659 hours remaining, 234.390625 MB of memory in use. ENERGY: 2807400 3962.0533 20521.5177 14370.8850 255.0267 -203982.0265 2464.4698 0.0000 0.0000 51938.1562 -110469.9178 298.4893 -162408.0740 -110111.8337 297.6172 191.1325 211.6101 758270.4057 -3.0393 -3.0409 PRESSURE: 2807600 -83.4439 -39.6548 14 -39.6548 -16.5849 72.6449 14.0003 72.6463 225.984 GPRESSURE: 2807600 -83.8818 -41.824 23.5877 36.4903 92.2851 -3.36892 107.414 52.5056 224.7 PRESSAVG: 2807600 -12.5055 -2.98842 -14.9432 -2.98838 61.2096 -53.4071 -14.9432 -53.4071 -0.62133 GPRESSAVG: 2807600 -12.2222 -5.92383 -13.7262 -1.52721 61.3769 -54.5681 -14.9711 -50.4818 -0.598088 TIMING: 2807600 CPU: 8945.04, 0.0031377/step Wall: 8945.04, 0.0031377/step, 1.91086 hours remaining, 234.390625 MB of memory in use. ENERGY: 2807600 3975.3294 20435.7594 14354.9701 236.0999 -203572.2224 2367.0386 0.0000 0.0000 51703.8547 -110499.1703 297.1428 -162203.0250 -110137.5377 297.5951 41.9852 77.7011 758201.1436 16.0276 16.1856 PRESSURE: 2807800 -185.528 63.935 97.6891 63.9345 93.0298 -29.951 97.6899 -29.9507 -155.765 GPRESSURE: 2807800 -109.145 101.801 -14.8903 51.8704 55.3074 -58.6831 39.6516 128.175 -109.268 PRESSAVG: 2807800 -0.868275 -44.8 -30.8802 -44.8 10.6102 -5.92984 -30.8803 -5.92981 -0.912276 GPRESSAVG: 2807800 -0.806267 -41.1858 -31.0954 -45.2456 10.7867 -5.36011 -30.528 -6.52542 -1.37233 TIMING: 2807800 CPU: 8945.67, 0.00313005/step Wall: 8945.67, 0.00313005/step, 1.90602 hours remaining, 234.390625 MB of memory in use. ENERGY: 2807800 3957.2019 20337.1893 14407.1702 258.0665 -203869.1825 2574.0702 0.0000 0.0000 51772.3253 -110563.1591 297.5363 -162335.4844 -110194.2763 297.4868 -82.7545 -54.3685 758933.6360 2.9432 2.8694 PRESSURE: 2808000 -271.781 118.599 57.773 118.598 -603.13 271.504 57.7739 271.503 25.3924 GPRESSURE: 2808000 -354.83 43.039 144.89 130.362 -506.55 210.321 162.233 131.144 90.2885 PRESSAVG: 2808000 -10.2918 -7.69973 1.99619 -7.69975 40.4017 33.7929 1.99618 33.793 3.57674 GPRESSAVG: 2808000 -10.0332 -7.97726 0.0837106 -9.07343 40.6457 33.3174 2.16546 31.3527 3.13389 TIMING: 2808000 CPU: 8946.29, 0.00311155/step Wall: 8946.29, 0.00311155/step, 1.89459 hours remaining, 234.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2808000 3918.5648 20552.8205 14367.5802 254.5049 -203839.5449 2353.1677 0.0000 0.0000 51794.4260 -110598.4807 297.6633 -162392.9068 -110236.6125 297.3389 -283.1727 -257.0304 759318.7507 11.2289 11.2488 PRESSURE: 2808200 -91.2764 -89.3409 -31.7945 -89.3408 7.7335 -15.0547 -31.7957 -15.0542 -189.93 GPRESSURE: 2808200 -44.9595 -80.6985 -50.8723 -109.236 72.9185 -13.5014 61.6004 45.3423 -189.575 PRESSAVG: 2808200 -25.1915 -37.3172 42.4397 -37.3173 -17.5623 10.1392 42.4396 10.1392 -3.05825 GPRESSAVG: 2808200 -25.8317 -35.884 41.7436 -37.8225 -17.2815 10.0824 44.176 12.5209 -2.8694 TIMING: 2808200 CPU: 8946.91, 0.00311469/step Wall: 8946.91, 0.00311469/step, 1.89633 hours remaining, 234.390625 MB of memory in use. ENERGY: 2808200 3962.2761 20355.6166 14313.2151 243.4453 -203989.2083 2627.5261 0.0000 0.0000 51821.5351 -110665.5939 297.8191 -162487.1291 -110305.0245 296.8619 -91.1575 -53.8720 757989.4521 -15.2707 -15.3275 LDB: ============= START OF LOAD BALANCING ============== 8959.33 LDB: ============== END OF LOAD BALANCING =============== 8959.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8959.33 LDB: ============= START OF LOAD BALANCING ============== 8959.64 LDB: Largest compute 7024 load 0.031555 is 16.1% of average load 0.195472 LDB: Average compute 0.004389 is 2.2% of average load 0.195472 LDB: TIME 8959.65 LOAD: AVG 0.195472 MAX 0.216531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.266 MB LDB: TIME 8959.65 LOAD: AVG 0.195472 MAX 0.216531 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: TIME 8959.65 LOAD: AVG 0.195472 MAX 0.216531 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: ============== END OF LOAD BALANCING =============== 8959.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8959.65 PRESSURE: 2808400 94.0822 45.9073 -77.0798 45.9077 204.058 -110.694 -77.0785 -110.695 79.2582 GPRESSURE: 2808400 256.647 38.171 -111.309 63.0193 112.266 -207.272 -74.1499 -43.5033 93.0989 PRESSAVG: 2808400 19.9437 -42.1498 -1.23569 -42.1497 -8.46585 -4.09937 -1.23563 -4.09942 24.9555 GPRESSAVG: 2808400 20.054 -42.5523 0.0662237 -42.3186 -8.94891 -2.95266 -3.30385 -6.02199 24.9622 TIMING: 2808400 CPU: 8947.55, 0.00317735/step Wall: 8947.55, 0.00317735/step, 1.9343 hours remaining, 233.632812 MB of memory in use. ENERGY: 2808400 3910.8576 20190.3891 14388.4896 244.4731 -203875.6652 2774.4974 0.0000 0.0000 51602.8766 -110764.0817 296.5624 -162366.9583 -110409.5949 296.9200 125.7997 154.0039 759281.7824 12.1444 12.0224 PRESSURE: 2808600 -8.2035 -330.263 -180.246 -330.263 -157.778 -2.00387 -180.246 -2.00372 -56.9421 GPRESSURE: 2808600 -35.976 -344.805 -138.511 -331.878 -95.602 78.3124 -121.185 -14.7958 -11.8645 PRESSAVG: 2808600 25.0341 9.85425 9.15801 9.85429 19.9887 -12.4725 9.15793 -12.4726 12.0698 GPRESSAVG: 2808600 24.7451 9.41041 9.81699 10.6125 20.6165 -13.8531 8.70083 -10.6553 12.2457 TIMING: 2808600 CPU: 8948.17, 0.00310507/step Wall: 8948.17, 0.00310507/step, 1.89013 hours remaining, 233.632812 MB of memory in use. ENERGY: 2808600 3998.2203 20478.4794 14326.6249 256.6161 -203958.2659 2614.5502 0.0000 0.0000 51730.9660 -110552.8090 297.2986 -162283.7751 -110195.9944 296.7942 -74.3080 -47.8141 760324.3832 19.0309 19.2025 PRESSURE: 2808800 401.74 -27.9497 177.81 -27.9496 257.373 274.94 177.811 274.941 163.312 GPRESSURE: 2808800 464.42 -45.4785 160.574 -74.251 255.423 344.196 75.4457 153.611 175.906 PRESSAVG: 2808800 -9.11041 -21.1191 32.6708 -21.1191 13.6417 54.6268 32.6708 54.6268 -5.02736 GPRESSAVG: 2808800 -8.55608 -23.8215 32.8948 -21.1403 13.6425 54.2066 32.2223 53.7519 -5.38826 TIMING: 2808800 CPU: 8948.8, 0.00312666/step Wall: 8948.8, 0.00312666/step, 1.90309 hours remaining, 233.632812 MB of memory in use. ENERGY: 2808800 3905.0657 20550.9356 14357.0827 223.2366 -204089.9950 2846.1264 0.0000 0.0000 51859.9072 -110347.6408 298.0396 -162207.5480 -109982.5502 297.8209 274.1418 298.5831 760057.6780 -0.1654 -0.1006 PRESSURE: 2809000 75.2059 160.955 86.5409 160.955 -385.426 113.014 86.5408 113.013 -181.868 GPRESSURE: 2809000 26.3764 183.633 55.9674 145.037 -252.423 91.6732 22.8202 180.474 -163.524 PRESSAVG: 2809000 10.0754 -12.9904 91.0392 -12.9904 35.1448 6.1621 91.0393 6.16212 -19.9621 GPRESSAVG: 2809000 9.13374 -11.5921 90.8985 -14.2863 36.0386 7.00461 91.9461 7.05967 -20.0454 TIMING: 2809000 CPU: 8949.42, 0.00313212/step Wall: 8949.42, 0.00313212/step, 1.90624 hours remaining, 233.632812 MB of memory in use. ENERGY: 2809000 3983.1131 20435.1418 14366.9688 241.6968 -203436.0500 2304.4086 0.0000 0.0000 51630.7703 -110473.9506 296.7227 -162104.7209 -110126.5233 297.8412 -164.0296 -129.8568 759183.2008 8.4193 8.3756 PRESSURE: 2809200 -215.667 -5.06235 184.739 -5.06293 -75.615 20.5895 184.738 20.5901 -164.344 GPRESSURE: 2809200 -174.184 17.3382 108.389 -30.8293 -124.941 63.2292 183.727 -4.65054 -68.4445 PRESSAVG: 2809200 2.54101 -40.075 26.7271 -40.075 40.1213 19.0955 26.7271 19.0955 -8.8006 GPRESSAVG: 2809200 1.58729 -38.9675 26.9868 -38.0206 40.063 19.3805 25.8095 18.6823 -7.9453 TIMING: 2809200 CPU: 8950.05, 0.00313237/step Wall: 8950.05, 0.00313237/step, 1.90622 hours remaining, 233.632812 MB of memory in use. ENERGY: 2809200 3998.7902 20480.4944 14391.2512 224.8176 -203430.7772 2197.2835 0.0000 0.0000 51677.1434 -110460.9969 296.9893 -162138.1403 -110100.1787 297.5571 -151.8751 -122.5232 760006.5088 11.2872 11.2350 PRESSURE: 2809400 -108.006 -241.636 -173.73 -241.637 -164.137 72.4305 -173.73 72.4304 -90.8375 GPRESSURE: 2809400 -48.9308 -68.3335 -147.89 -159.858 -144.325 58.3578 -111.789 12.1118 -75.8718 PRESSAVG: 2809400 15.2535 -38.5155 6.69124 -38.5156 46.0759 -1.1569 6.69131 -1.15686 3.05 GPRESSAVG: 2809400 16.1988 -39.814 6.93692 -39.6057 45.2368 -1.02089 6.00506 -0.847205 2.67185 TIMING: 2809400 CPU: 8950.67, 0.00312051/step Wall: 8950.67, 0.00312051/step, 1.89883 hours remaining, 233.632812 MB of memory in use. ENERGY: 2809400 3979.2641 20433.0774 14444.2225 239.4912 -203252.9136 2124.9753 0.0000 0.0000 51753.3589 -110278.5242 297.4273 -162031.8831 -109922.2792 297.8084 -120.9935 -89.7092 758419.1611 21.4598 21.3691 PRESSURE: 2809600 -16.4 18.6666 100.271 18.6664 73.5017 -155.529 100.271 -155.528 -131.441 GPRESSURE: 2809600 111.74 82.1048 135.54 74.938 21.8378 -48.0021 77.4785 -214.669 -141.006 PRESSAVG: 2809600 29.4702 17.6845 2.66163 17.6845 6.69098 -44.2774 2.66172 -44.2773 5.95569 GPRESSAVG: 2809600 29.8888 18.3921 2.54954 17.2764 6.92156 -44.9935 2.3628 -44.7473 5.38396 TIMING: 2809600 CPU: 8951.29, 0.00310975/step Wall: 8951.29, 0.00310975/step, 1.89211 hours remaining, 233.632812 MB of memory in use. ENERGY: 2809600 3966.8259 20478.2342 14338.9848 255.9367 -203621.5687 2573.7712 0.0000 0.0000 51470.4305 -110537.3854 295.8013 -162007.8159 -110178.8216 297.3122 -24.7797 -2.4760 758238.6180 14.0390 14.0648 PRESSURE: 2809800 92.4715 -80.8724 20.3424 -80.8722 -168.314 89.4546 20.3426 89.4544 263.56 GPRESSURE: 2809800 197.343 -151.4 15.97 -98.8147 -244.204 79.0805 76.2449 69.775 321.142 PRESSAVG: 2809800 68.129 44.0949 37.9854 44.0949 -8.07277 -11.0555 37.9855 -11.0555 12.2439 GPRESSAVG: 2809800 67.0049 43.3757 37.6428 45.8707 -8.25217 -11.6906 39.3617 -11.5012 13.508 TIMING: 2809800 CPU: 8951.92, 0.00311012/step Wall: 8951.92, 0.00311012/step, 1.89216 hours remaining, 233.632812 MB of memory in use. ENERGY: 2809800 3945.5000 20414.3938 14350.8178 255.6394 -203601.0728 2343.0548 0.0000 0.0000 51971.7758 -110319.8911 298.6825 -162291.6669 -109955.3499 297.7905 62.5725 91.4272 758567.6617 24.1001 24.0869 PRESSURE: 2810000 104.414 -63.4098 -22.0612 -63.4107 61.8777 -105.598 -22.0624 -105.599 97.5477 GPRESSURE: 2810000 204.027 -91.8133 -17.3209 -52.6058 65.3117 -239.625 -22.9985 -143.897 65.733 PRESSAVG: 2810000 22.5259 -2.11504 17.2137 -2.11514 -19.2216 13.0864 17.2137 13.0864 -16.4033 GPRESSAVG: 2810000 22.272 -2.48198 16.5788 -3.95042 -18.4403 11.7971 17.3382 12.4446 -17.3119 TIMING: 2810000 CPU: 8952.54, 0.0031004/step Wall: 8952.54, 0.0031004/step, 1.88608 hours remaining, 233.632812 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 4009.4765 20496.0567 14420.4855 264.7739 -203554.2010 2538.3947 0.0000 0.0000 51693.9207 -110131.0930 297.0857 -161825.0137 -109770.2037 298.0463 87.9465 111.6906 760068.9704 -4.3663 -4.4934 PRESSURE: 2810200 265.159 58.3526 -143.886 58.3534 792.59 -198.857 -143.885 -198.856 -7.76118 GPRESSURE: 2810200 234.836 6.44493 -206.119 -157.427 833.259 -131.519 -117.175 -281.037 93.592 PRESSAVG: 2810200 -44.1505 -36.7309 14.8199 -36.7309 -6.25804 -76.9734 14.8199 -76.9734 -6.62796 GPRESSAVG: 2810200 -42.9896 -35.4622 16.2197 -37.7489 -6.82387 -74.3975 14.7002 -77.768 -6.82523 TIMING: 2810200 CPU: 8953.16, 0.0031114/step Wall: 8953.16, 0.0031114/step, 1.89259 hours remaining, 233.632812 MB of memory in use. ENERGY: 2810200 3962.1289 20459.7597 14370.0384 254.0340 -203926.4189 2950.5114 0.0000 0.0000 51664.9233 -110265.0232 296.9190 -161929.9465 -109914.8775 297.7823 349.9960 387.2292 759458.0859 -19.0122 -18.8796 PRESSURE: 2810400 287.318 49.2832 -60.7298 49.2834 30.7268 -70.621 -60.7305 -70.6215 55.4938 GPRESSURE: 2810400 323.714 50.8224 -87.6468 50.8721 106.543 -73.8394 -81.9216 9.96909 3.01358 PRESSAVG: 2810400 55.3591 33.464 1.66122 33.4639 -68.7083 -96.9136 1.66131 -96.9135 17.9342 GPRESSAVG: 2810400 54.5425 31.9966 1.30483 34.0364 -68.0643 -96.8508 2.207 -95.5826 18.2528 TIMING: 2810400 CPU: 8953.78, 0.00312656/step Wall: 8953.78, 0.00312656/step, 1.90164 hours remaining, 233.632812 MB of memory in use. ENERGY: 2810400 3940.0105 20540.3183 14395.1713 241.6728 -203642.3322 2563.3864 0.0000 0.0000 51572.5017 -110389.2712 296.3879 -161961.7729 -110030.0013 297.7082 124.5128 144.4235 760735.7712 1.5283 1.5770 PRESSURE: 2810600 267.146 -51.6244 4.48 -51.6239 122.912 -107.983 4.47925 -107.982 -203.679 GPRESSURE: 2810600 304.594 -98.2377 46.3415 44.1484 209.319 -122.537 -30.4389 -25.4059 -234.436 PRESSAVG: 2810600 40.7885 17.8889 8.14796 17.889 -42.4496 83.5358 8.14795 83.5357 2.90371 GPRESSAVG: 2810600 41.4905 20.8746 6.87304 17.0711 -43.4631 81.0047 7.35957 83.1465 2.86125 TIMING: 2810600 CPU: 8954.41, 0.00311096/step Wall: 8954.41, 0.00311096/step, 1.89198 hours remaining, 233.632812 MB of memory in use. ENERGY: 2810600 4003.2986 20503.9758 14394.8038 242.0345 -203695.8974 2356.2448 0.0000 0.0000 51940.9930 -110254.5469 298.5056 -162195.5399 -109903.2077 298.1285 62.1265 93.1592 759481.3585 0.4142 0.2962 PRESSURE: 2810800 256.223 20.4421 19.6448 20.4427 6.13457 -58.3655 19.6443 -58.3663 400.627 GPRESSURE: 2810800 370.187 148.053 20.6725 22.194 34.1316 -74.3929 -108.747 35.1234 355.254 PRESSAVG: 2810800 12.9613 47.6849 9.14066 47.685 -42.3809 -16.2505 9.14057 -16.2505 21.3324 GPRESSAVG: 2810800 13.0248 45.8263 10.3608 48.6598 -41.8202 -14.2056 8.68584 -15.0648 21.2996 TIMING: 2810800 CPU: 8955.03, 0.00311908/step Wall: 8955.03, 0.00311908/step, 1.89675 hours remaining, 233.632812 MB of memory in use. ENERGY: 2810800 4043.7814 20429.5240 14476.4806 250.9067 -204156.9362 2799.4906 0.0000 0.0000 51875.5038 -110281.2491 298.1292 -162156.7528 -109927.1516 297.9307 220.9948 253.1910 759489.1359 -2.6957 -2.4986 PRESSURE: 2811000 52.0872 -8.35113 130.529 -8.35038 60.2166 95.5222 130.528 95.5213 49.8603 GPRESSURE: 2811000 82.7426 12.1581 68.5756 -37.6874 85.7011 -9.6116 241.837 23.8787 77.1961 PRESSAVG: 2811000 35.1682 4.54736 -40.0421 4.54736 -22.6005 -5.4797 -40.0421 -5.4797 -8.99799 GPRESSAVG: 2811000 35.7448 3.73166 -39.3055 4.75151 -23.498 -6.11899 -38.7614 -3.98687 -8.96197 TIMING: 2811000 CPU: 8955.66, 0.00312683/step Wall: 8955.66, 0.00312683/step, 1.90129 hours remaining, 233.632812 MB of memory in use. ENERGY: 2811000 3951.5629 20262.2406 14403.6622 224.5490 -203425.6590 2294.9416 0.0000 0.0000 51913.3062 -110375.3964 298.3465 -162288.7027 -110020.8108 297.6608 54.0547 81.8799 760214.5383 1.1899 1.0950 PRESSURE: 2811200 -45.6281 33.9424 -117.847 33.9424 -30.8166 239.342 -117.847 239.342 117.457 GPRESSURE: 2811200 139.642 12.0991 -74.7557 171.308 -25.8072 318.337 -121.834 234.19 6.79158 PRESSAVG: 2811200 32.3823 15.5788 26.7912 15.5789 -55.828 18.9433 26.7912 18.9434 -11.3185 GPRESSAVG: 2811200 31.5627 14.9356 27.1029 16.4236 -55.6566 19.7691 26.7476 18.2153 -10.9372 TIMING: 2811200 CPU: 8956.29, 0.00315081/step Wall: 8956.29, 0.00315081/step, 1.91569 hours remaining, 233.632812 MB of memory in use. ENERGY: 2811200 3967.9188 20337.7235 14388.5690 260.0176 -203476.2052 2579.2603 0.0000 0.0000 51795.7785 -110146.9375 297.6711 -161942.7161 -109770.3787 297.8284 13.6707 40.2087 760153.9804 -11.5881 -11.6771 PRESSURE: 2811400 177.51 -136.544 -41.4646 -136.545 -119.532 -29.793 -41.4646 -29.7925 -386.003 GPRESSURE: 2811400 136.428 -197.175 -9.6045 -56.7401 -74.4227 -45.632 106.64 112.506 -295.556 PRESSAVG: 2811400 -6.00623 -11.782 0.68823 -11.782 21.132 8.45839 0.688175 8.45844 -14.8766 GPRESSAVG: 2811400 -5.94037 -11.1277 -1.36483 -10.8992 21.3962 8.20428 2.14154 6.20159 -15.1999 TIMING: 2811400 CPU: 8956.91, 0.00314474/step Wall: 8956.91, 0.00314474/step, 1.91183 hours remaining, 233.632812 MB of memory in use. ENERGY: 2811400 3985.3434 20332.8469 14408.7194 253.5967 -203415.4946 2550.9860 0.0000 0.0000 51691.9984 -110192.0039 297.0746 -161884.0023 -109836.2557 297.9182 -109.3417 -77.8504 759312.8361 0.0831 0.0853 PRESSURE: 2811600 -41.2793 162.84 35.8685 162.841 218.872 116.165 35.8688 116.165 -229.33 GPRESSURE: 2811600 25.1837 173.55 107.329 194.962 179.653 92.364 -88.3125 116.046 -190.236 PRESSAVG: 2811600 7.05336 2.49204 -29.6193 2.49203 -34.7266 -17.688 -29.6193 -17.688 22.0787 GPRESSAVG: 2811600 6.35812 2.71513 -28.4936 0.460056 -34.8071 -17.1025 -30.925 -17.5452 22.7915 TIMING: 2811600 CPU: 8957.54, 0.00315096/step Wall: 8957.54, 0.00315096/step, 1.91543 hours remaining, 233.632812 MB of memory in use. ENERGY: 2811600 3952.3874 20304.0038 14406.6513 236.7543 -203074.3565 2259.8572 0.0000 0.0000 51877.7264 -110036.9760 298.1420 -161914.7024 -109684.2214 297.8941 -17.2457 4.8669 759252.1944 -1.8649 -1.8858 PRESSURE: 2811800 -29.3205 -54.3322 -275.463 -54.333 -575.115 -483.565 -275.463 -483.565 -103.935 GPRESSURE: 2811800 -28.1072 -57.535 -268.161 -4.00199 -476.065 -441.136 -325.136 -438.354 -118.381 PRESSAVG: 2811800 53.1164 29.5292 4.25094 29.5292 -60.083 -9.93181 4.25099 -9.93177 -14.2881 GPRESSAVG: 2811800 53.1579 29.3831 2.25016 29.8808 -59.6559 -11.0933 6.91974 -9.40279 -15.0165 TIMING: 2811800 CPU: 8958.17, 0.00312331/step Wall: 8958.17, 0.00312331/step, 1.89845 hours remaining, 233.632812 MB of memory in use. ENERGY: 2811800 4039.4369 20307.9526 14401.9840 246.7096 -203040.5630 2325.1448 0.0000 0.0000 51625.0713 -110094.2638 296.6900 -161719.3351 -109741.2964 297.4521 -236.1236 -207.5177 758936.4581 -7.0849 -7.1715 PRESSURE: 2812000 -238.288 -83.6674 185.298 -83.6679 -251.306 91.2028 185.297 91.2028 192.677 GPRESSURE: 2812000 -228.376 36.9127 180.331 -94.3278 -211.026 53.3513 132.652 228.049 237.009 PRESSAVG: 2812000 53.8963 -14.264 12.1318 -14.264 -84.0836 -8.6499 12.1317 -8.64985 41.4601 GPRESSAVG: 2812000 54.4122 -13.1112 12.451 -13.6355 -84.1269 -9.78553 10.3701 -7.30316 41.2061 TIMING: 2812000 CPU: 8958.79, 0.00311173/step Wall: 8958.79, 0.00311173/step, 1.89124 hours remaining, 233.632812 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 4012.4716 20344.1280 14400.9493 217.9007 -203262.8996 2219.2666 0.0000 0.0000 51970.2854 -110097.8981 298.6739 -162068.1835 -109739.4218 298.0325 -98.9725 -67.4641 759375.1488 3.7576 3.8304 PRESSURE: 2812200 102.708 -89.9158 35.4687 -89.9158 74.1656 16.3949 35.4698 16.3952 47.5607 GPRESSURE: 2812200 47.286 -107.955 2.76705 -72.4296 128.259 65.7831 131.513 -8.95586 125.501 PRESSAVG: 2812200 25.0552 -32.1435 28.4489 -32.1435 -26.1624 -8.14784 28.4488 -8.14781 -16.7321 GPRESSAVG: 2812200 24.2862 -32.6491 28.8201 -33.5337 -26.4234 -5.94913 30.3111 -10.0165 -15.903 TIMING: 2812200 CPU: 8959.42, 0.00312497/step Wall: 8959.42, 0.00312497/step, 1.89911 hours remaining, 233.632812 MB of memory in use. ENERGY: 2812200 4003.7925 20541.3992 14304.2945 247.8683 -203593.7120 2659.0461 0.0000 0.0000 51748.1011 -110089.2102 297.3970 -161837.3112 -109743.8705 297.5229 74.8114 100.3487 760472.4756 -5.9465 -6.0134 LDB: ============= START OF LOAD BALANCING ============== 8971.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8971.84 LDB: =============== DONE WITH MIGRATION ================ 8971.84 LDB: ============= START OF LOAD BALANCING ============== 8972.15 LDB: Largest compute 7025 load 0.033881 is 17.3% of average load 0.195562 LDB: Average compute 0.004400 is 2.2% of average load 0.195562 LDB: TIME 8972.16 LOAD: AVG 0.195562 MAX 0.217943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.016 MB LDB: TIME 8972.16 LOAD: AVG 0.195562 MAX 0.217943 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 8972.16 LOAD: AVG 0.195562 MAX 0.217943 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 8972.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8972.16 PRESSURE: 2812400 89.0544 -51.8733 -35.567 -51.8735 -285.076 -267.215 -35.5667 -267.215 -24.5113 GPRESSURE: 2812400 131.621 -177.269 60.3912 -24.8752 -271.884 -187.583 -111.225 -229.13 -5.7351 PRESSAVG: 2812400 -10.4928 -56.5822 34.1732 -56.5822 -5.98668 18.5293 34.1732 18.5293 4.50797 GPRESSAVG: 2812400 -11.1696 -57.2206 35.5764 -56.3008 -4.42513 15.436 34.0644 21.4371 4.23493 TIMING: 2812400 CPU: 8960.06, 0.00320379/step Wall: 8960.06, 0.00320379/step, 1.94684 hours remaining, 234.261719 MB of memory in use. ENERGY: 2812400 3998.7622 20434.8083 14372.6396 252.5465 -203567.2322 2770.7259 0.0000 0.0000 51779.0570 -109958.6928 297.5750 -161737.7497 -109599.8764 298.1938 -73.5110 -48.6661 762711.7399 -3.9905 -3.7866 PRESSURE: 2812600 222.961 20.5643 -179.179 20.5643 -198.357 -55.8585 -179.179 -55.8593 172.63 GPRESSURE: 2812600 276.791 72.8254 -284.629 94.2856 -159.843 -85.2589 -138.568 -13.1748 168.462 PRESSAVG: 2812600 28.0332 8.47675 48.2252 8.47674 -9.38451 4.15239 48.2252 4.15248 5.44119 GPRESSAVG: 2812600 28.647 8.00618 48.0697 7.89616 -10.4902 6.70519 46.5135 0.282143 5.15866 TIMING: 2812600 CPU: 8960.68, 0.00313054/step Wall: 8960.68, 0.00313054/step, 1.90215 hours remaining, 234.402344 MB of memory in use. ENERGY: 2812600 3996.2297 20325.5951 14357.7858 238.7231 -203340.2132 2417.9696 0.0000 0.0000 51937.3743 -110066.5356 298.4848 -162003.9100 -109702.8505 298.1069 65.7444 95.1367 759451.5849 8.0300 7.7718 PRESSURE: 2812800 -123.879 -32.2713 -129.875 -32.2709 88.0525 249.234 -129.876 249.233 -73.3644 GPRESSURE: 2812800 -22.6882 57.3165 -25.0846 -58.6477 94.5701 294.952 -83.5302 36.9599 -80.3105 PRESSAVG: 2812800 49.8328 29.2732 48.8061 29.2732 -36.3874 -12.315 48.806 -12.315 7.63283 GPRESSAVG: 2812800 49.3432 30.5297 48.1448 28.5398 -36.3958 -12.5941 50.9862 -10.9536 8.50919 TIMING: 2812800 CPU: 8961.31, 0.00312783/step Wall: 8961.31, 0.00312783/step, 1.90033 hours remaining, 234.402344 MB of memory in use. ENERGY: 2812800 3925.5124 20320.5459 14421.7212 253.5572 -203444.3658 2559.8395 0.0000 0.0000 52096.8772 -109866.3123 299.4015 -161963.1895 -109503.8207 298.2797 -36.3969 -2.8095 761144.8451 7.0261 7.1522 PRESSURE: 2813000 -373.356 25.3548 -13.6503 25.3542 -380.71 222.316 -13.6502 222.316 -251.985 GPRESSURE: 2813000 -328.454 28.6123 -8.1951 24.9601 -374.399 173.343 -88.1156 282.311 -229.188 PRESSAVG: 2813000 66.7908 41.2575 15.6411 41.2575 -52.597 56.3563 15.6411 56.3562 -11.1807 GPRESSAVG: 2813000 67.6797 39.3546 16.3996 43.917 -52.6576 55.0952 14.1484 57.841 -12.1995 TIMING: 2813000 CPU: 8961.93, 0.00311836/step Wall: 8961.93, 0.00311836/step, 1.89441 hours remaining, 234.542969 MB of memory in use. ENERGY: 2813000 3980.3232 20407.9046 14453.1695 242.3806 -203293.6185 2389.3824 0.0000 0.0000 51714.9195 -110105.5386 297.2064 -161820.4581 -109751.3711 297.9998 -335.3504 -310.6803 761988.1628 1.0043 0.9409 PRESSURE: 2813200 72.3545 -57.1478 -11.0322 -57.1476 -52.1006 118.742 -11.0322 118.742 -314.526 GPRESSURE: 2813200 11.1994 19.3701 -23.6407 -59.2211 -1.7014 123.534 -49.7143 -33.1468 -225.055 PRESSAVG: 2813200 21.27 16.455 -2.58932 16.4549 -33.4506 34.013 -2.58937 34.0131 -5.10497 GPRESSAVG: 2813200 20.754 18.7771 -3.1465 14.7761 -33.9989 34.8983 -2.55863 31.7981 -4.52132 TIMING: 2813200 CPU: 8962.56, 0.00312422/step Wall: 8962.56, 0.00312422/step, 1.89779 hours remaining, 234.542969 MB of memory in use. ENERGY: 2813200 3910.9678 20528.4462 14413.0500 248.1728 -203254.7129 2311.5426 0.0000 0.0000 51579.7592 -110262.7745 296.4296 -161842.5336 -109904.3627 297.6257 -98.0906 -71.8522 758932.4089 -5.7619 -5.9221 PRESSURE: 2813400 -46.5396 -102.768 287.51 -102.768 -65.4704 21.8569 287.509 21.857 -79.6211 GPRESSURE: 2813400 39.4529 -169.673 213.341 -199.291 -75.6464 110.036 194.274 41.5511 -68.2106 PRESSAVG: 2813400 63.8099 -10.0023 3.72503 -10.0022 -63.936 8.22846 3.72503 8.22842 -8.03537 GPRESSAVG: 2813400 64.3063 -10.6998 4.34982 -9.65988 -65.4039 6.52938 1.33957 8.32743 -6.89317 TIMING: 2813400 CPU: 8963.18, 0.00313198/step Wall: 8963.18, 0.00313198/step, 1.90233 hours remaining, 234.542969 MB of memory in use. ENERGY: 2813400 3920.6445 20483.3948 14431.7516 237.7761 -203570.3494 2644.8639 0.0000 0.0000 51845.6490 -110006.2695 297.9577 -161851.9185 -109640.2318 297.6958 -63.8770 -34.8014 760476.7261 -2.7205 -2.6636 PRESSURE: 2813600 343.604 -140.44 304.874 -140.44 479.227 -124.675 304.875 -124.674 397.025 GPRESSURE: 2813600 433.421 -18.7383 328.943 -24.9605 448.346 -32.9093 282.162 -56.9025 394.385 PRESSAVG: 2813600 15.8863 -15.896 29.2235 -15.8959 -34.4536 23.8632 29.2236 23.8633 -32.1853 GPRESSAVG: 2813600 13.5133 -15.9003 29.7761 -15.9997 -31.0004 25.3793 32.181 24.1583 -33.2076 TIMING: 2813600 CPU: 8963.81, 0.00312549/step Wall: 8963.81, 0.00312549/step, 1.89821 hours remaining, 234.542969 MB of memory in use. ENERGY: 2813600 3919.6929 20354.7354 14437.5058 249.0487 -203556.0600 2702.7415 0.0000 0.0000 51999.6077 -109892.7280 298.8425 -161892.3357 -109525.6728 298.2035 406.6186 425.3841 759357.4101 -16.9175 -16.8982 PRESSURE: 2813800 106.741 -25.9894 128.953 -25.9889 440.882 20.9245 128.953 20.9241 154.967 GPRESSURE: 2813800 161.029 -33.9466 184.188 -12.5681 444.855 57.2603 104.209 -50.4288 185.231 PRESSAVG: 2813800 5.25289 17.0022 33.7826 17.0022 21.5733 15.7984 33.7826 15.7986 -21.7224 GPRESSAVG: 2813800 6.92043 15.9764 33.0396 16.7395 20.451 14.604 31.917 17.9321 -22.2269 TIMING: 2813800 CPU: 8964.44, 0.00314116/step Wall: 8964.44, 0.00314116/step, 1.90756 hours remaining, 234.542969 MB of memory in use. ENERGY: 2813800 3993.6067 20260.7455 14368.4307 254.4100 -203330.9489 2727.9280 0.0000 0.0000 52036.9744 -109688.8537 299.0572 -161725.8281 -109330.7281 298.6863 234.1966 263.7050 759584.3127 1.7013 1.7149 PRESSURE: 2814000 201.449 -59.3433 -52.3756 -59.3433 -21.1059 219.852 -52.3767 219.854 216.457 GPRESSURE: 2814000 251.381 -83.1431 -114.304 43.5123 -37.2507 278.543 12.3407 3.89236 259.463 PRESSAVG: 2814000 11.8491 -43.1567 11.9952 -43.1567 -18.9081 16.7446 11.9952 16.7447 10.9202 GPRESSAVG: 2814000 11.8811 -42.1364 11.0304 -43.5076 -18.755 16.9954 13.066 16.4986 11.2491 TIMING: 2814000 CPU: 8965.06, 0.00311544/step Wall: 8965.06, 0.00311544/step, 1.89176 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 3869.6074 20416.2604 14419.3254 250.4941 -203303.5549 2592.4755 0.0000 0.0000 52112.7770 -109642.6151 299.4928 -161755.3921 -109276.5051 299.0338 132.2665 157.8645 760076.6978 1.2871 1.4584 PRESSURE: 2814200 63.4731 -102.667 -312.598 -102.668 -107.7 95.1469 -312.598 95.1472 39.6935 GPRESSURE: 2814200 55.4324 -36.4167 -306.477 -143.986 0.676072 -36.913 -250.336 87.004 8.38572 PRESSAVG: 2814200 52.2478 -53.0601 -14.311 -53.0601 -25.4813 22.5935 -14.311 22.5935 7.50851 GPRESSAVG: 2814200 52.0335 -53.1211 -14.1171 -51.1536 -26.5676 23.7734 -15.4782 20.966 7.90707 TIMING: 2814200 CPU: 8965.68, 0.00311957/step Wall: 8965.68, 0.00311957/step, 1.8941 hours remaining, 234.542969 MB of memory in use. ENERGY: 2814200 3960.2695 20379.3811 14346.3803 247.5898 -202900.1965 2241.3398 0.0000 0.0000 51841.4174 -109883.8186 297.9333 -161725.2360 -109527.5845 298.8251 -1.5111 21.4981 761281.0761 11.4250 11.1243 PRESSURE: 2814400 -452.375 -151.068 141.24 -151.067 -614.931 -325.716 141.24 -325.717 -201.842 GPRESSURE: 2814400 -399.707 -296.517 135.317 -150.847 -597.514 -297.731 102.48 -256.291 -165.366 PRESSAVG: 2814400 9.58749 -14.215 -12.9934 -14.215 -12.0555 -22.2259 -12.9935 -22.2259 9.32273 GPRESSAVG: 2814400 9.24723 -14.6886 -13.5712 -16.7623 -11.0557 -23.47 -11.8763 -21.5481 9.27775 TIMING: 2814400 CPU: 8966.31, 0.00311661/step Wall: 8966.31, 0.00311661/step, 1.89213 hours remaining, 234.542969 MB of memory in use. ENERGY: 2814400 3955.1700 20276.8266 14344.7480 243.0520 -203155.8240 2247.2985 0.0000 0.0000 52008.0155 -110080.7134 298.8908 -162088.7289 -109721.9438 297.9776 -423.0495 -387.5291 760683.5144 2.2849 2.4897 PRESSURE: 2814600 -259.908 135.097 56.1077 135.097 24.6994 71.3211 56.1077 71.3206 257.68 GPRESSURE: 2814600 -237.145 213.178 61.1442 74.139 109.953 34.3329 -98.1025 -14.3839 249.922 PRESSAVG: 2814600 -8.05379 -51.9793 40.3471 -51.9793 -10.0428 -15.6326 40.3471 -15.6326 12.1322 GPRESSAVG: 2814600 -7.96622 -51.9562 42.0465 -52.1047 -9.48518 -15.0751 38.4747 -16.0496 11.3952 TIMING: 2814600 CPU: 8966.93, 0.00312993/step Wall: 8966.93, 0.00312993/step, 1.90004 hours remaining, 234.542969 MB of memory in use. ENERGY: 2814600 3957.6593 20258.2359 14436.9700 253.1399 -202948.6610 2283.4120 0.0000 0.0000 51704.0047 -110055.2392 297.1436 -161759.2439 -109711.8872 297.5681 7.4902 40.9101 760795.3979 -1.9881 -2.0187 PRESSURE: 2814800 206.067 -93.9547 254.966 -93.9549 -33.9077 97.9354 254.966 97.9352 100.358 GPRESSURE: 2814800 269.854 -79.1008 189.515 -119.301 53.713 103.41 312.139 53.4519 49.3008 PRESSAVG: 2814800 -20.7426 -36.0144 52.8524 -36.0144 -3.04658 -3.34547 52.8524 -3.34548 6.01189 GPRESSAVG: 2814800 -19.8397 -37.3365 52.955 -33.4743 -4.08828 -4.49644 52.9131 -1.81406 6.4732 TIMING: 2814800 CPU: 8967.56, 0.00311186/step Wall: 8967.56, 0.00311186/step, 1.8889 hours remaining, 234.542969 MB of memory in use. ENERGY: 2814800 3901.3241 20334.2901 14351.9267 291.1571 -203449.5458 2717.8368 0.0000 0.0000 51931.4184 -109921.5925 298.4506 -161853.0109 -109557.7767 297.8035 90.8392 124.2893 760999.1237 -5.9257 -5.8183 PRESSURE: 2815000 -181.216 44.0447 -53.624 44.0449 -262.509 132.064 -53.624 132.063 -135.238 GPRESSURE: 2815000 -123.016 13.6611 -30.8085 89.8142 -262.977 83.1957 -22.9385 47.485 -117.005 PRESSAVG: 2815000 20.2042 -22.77 41.4772 -22.77 -16.4905 -7.51932 41.4772 -7.51929 -3.86481 GPRESSAVG: 2815000 20.0578 -21.4652 40.5324 -24.7153 -15.4112 -5.68946 43.1144 -8.51911 -5.00628 TIMING: 2815000 CPU: 8968.18, 0.00312314/step Wall: 8968.18, 0.00312314/step, 1.89557 hours remaining, 234.542969 MB of memory in use. ENERGY: 2815000 3866.5783 20421.0608 14329.9557 261.6962 -203284.3227 2424.4160 0.0000 0.0000 51964.9262 -110015.6897 298.6431 -161980.6158 -109650.1348 298.2554 -192.9875 -167.6660 761503.4176 -0.0504 -0.1199 PRESSURE: 2815200 186.494 105.235 15.933 105.234 -79.0996 104.038 15.9327 104.038 245.417 GPRESSURE: 2815200 124.671 38.551 57.2942 22.1496 1.74819 146.547 -14.9967 206.978 310.719 PRESSAVG: 2815200 -9.59111 -16.9525 32.1768 -16.9526 18.6386 -19.2323 32.1768 -19.2324 -32.837 GPRESSAVG: 2815200 -10.36 -18.6382 32.6639 -15.0282 18.1124 -18.7474 31.8677 -19.373 -31.4411 TIMING: 2815200 CPU: 8968.81, 0.003128/step Wall: 8968.81, 0.003128/step, 1.89835 hours remaining, 234.542969 MB of memory in use. ENERGY: 2815200 3882.2366 20336.6298 14370.1171 257.4320 -203250.7804 2392.1749 0.0000 0.0000 51923.6137 -110088.5764 298.4057 -162012.1900 -109725.1209 298.3090 117.6039 145.7125 760472.0575 -7.9299 -7.8962 PRESSURE: 2815400 -20.5497 34.6999 319.152 34.7005 -364.902 -39.6976 319.152 -39.6972 -157.59 GPRESSURE: 2815400 -4.49684 30.6354 290.464 33.554 -268.141 -5.11009 184.006 -44.3586 -182.834 PRESSAVG: 2815400 -16.8243 0.290561 16.7187 0.290515 -22.3684 30.3255 16.7188 30.3255 -5.15636 GPRESSAVG: 2815400 -16.4071 -0.098147 16.4905 -0.921438 -21.0787 28.6246 14.93 29.9944 -6.43078 TIMING: 2815400 CPU: 8969.43, 0.00310524/step Wall: 8969.43, 0.00310524/step, 1.88436 hours remaining, 234.542969 MB of memory in use. ENERGY: 2815400 3931.0424 20241.8683 14363.1070 247.2072 -202929.5425 2311.8548 0.0000 0.0000 52106.6365 -109727.8264 299.4576 -161834.4629 -109362.7674 298.3034 -181.0139 -151.8240 762174.4601 -14.7830 -14.6388 PRESSURE: 2815600 -137.637 -117.23 82.4261 -117.23 75.2065 -25.6749 82.4253 -25.6753 -209.721 GPRESSURE: 2815600 -52.6738 -127.214 23.8585 -135.415 61.9839 40.982 -21.5362 67.7882 -190.644 PRESSAVG: 2815600 -53.2292 -14.5504 25.6996 -14.5504 67.7057 -50.8952 25.6996 -50.8952 -43.2594 GPRESSAVG: 2815600 -52.2986 -12.2366 25.8463 -13.3106 66.0335 -49.7409 25.7593 -48.7911 -42.5045 TIMING: 2815600 CPU: 8970.05, 0.00312328/step Wall: 8970.05, 0.00312328/step, 1.89514 hours remaining, 234.542969 MB of memory in use. ENERGY: 2815600 3924.8268 20456.2672 14334.1333 239.7791 -202816.8836 2228.3288 0.0000 0.0000 51968.2945 -109665.2540 298.6625 -161633.5485 -109306.7248 298.8156 -90.7169 -60.4447 761191.3915 -9.5943 -9.5899 PRESSURE: 2815800 -417.421 84.8279 -99.9487 84.8277 -199.961 175.087 -99.9485 175.087 -3.17146 GPRESSURE: 2815800 -448.253 69.9616 -101.98 21.5966 -77.0924 178.03 -137.871 83.4261 -13.504 PRESSAVG: 2815800 -15.6789 -9.35721 5.90134 -9.35719 -17.9032 26.0648 5.90129 26.0648 2.9315 GPRESSAVG: 2815800 -16.6384 -13.0487 6.59308 -10.129 -17.0656 25.6681 4.20635 23.6628 2.86365 TIMING: 2815800 CPU: 8970.68, 0.00311931/step Wall: 8970.68, 0.00311931/step, 1.89255 hours remaining, 234.542969 MB of memory in use. ENERGY: 2815800 3941.5288 20504.9103 14309.9453 235.7043 -202555.4431 1982.2718 0.0000 0.0000 51940.8783 -109640.2042 298.5049 -161581.0824 -109273.7254 298.6039 -206.8512 -179.6165 761214.8250 -10.2169 -10.2801 PRESSURE: 2816000 -298.815 -24.1668 23.7574 -24.1673 -271.257 69.832 23.7586 69.8324 25.7006 GPRESSURE: 2816000 -288.535 -2.90658 81.489 40.8794 -193.124 182.441 -29.5614 51.9501 14.2944 PRESSAVG: 2816000 -16.5289 -26.9032 -14.6238 -26.9032 55.5447 -34.7023 -14.6239 -34.7023 20.3844 GPRESSAVG: 2816000 -17.0578 -22.1933 -14.4761 -27.3736 54.6128 -35.5342 -13.5232 -33.4823 21.7229 TIMING: 2816000 CPU: 8971.3, 0.00312776/step Wall: 8971.3, 0.00312776/step, 1.89751 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 4076.6427 20420.9692 14364.4356 271.5050 -202872.5386 2357.1921 0.0000 0.0000 51928.6916 -109453.1025 298.4349 -161381.7941 -109098.8401 299.0361 -181.4572 -155.7883 761543.2649 19.8001 19.7593 PRESSURE: 2816200 -268.137 16.1822 53.9445 16.1819 -365.991 -67.9854 53.9445 -67.9849 64.1188 GPRESSURE: 2816200 -212.881 54.9657 58.6724 8.94129 -308.231 -38.0766 56.1559 -60.7301 26.2823 PRESSAVG: 2816200 -27.8933 -8.25549 -45.1458 -8.25546 7.25423 -52.2135 -45.1457 -52.2136 -10.3115 GPRESSAVG: 2816200 -27.3663 -11.3947 -46.2825 -8.32065 8.12904 -51.274 -43.622 -53.3008 -11.9212 TIMING: 2816200 CPU: 8971.93, 0.00312448/step Wall: 8971.93, 0.00312448/step, 1.89534 hours remaining, 234.542969 MB of memory in use. ENERGY: 2816200 4011.8346 20591.6340 14402.0489 252.5588 -202822.4581 2232.7079 0.0000 0.0000 52062.0935 -109269.5804 299.2016 -161331.6739 -108912.8648 299.4872 -190.0030 -164.9433 762210.2460 -10.3169 -10.3862 LDB: ============= START OF LOAD BALANCING ============== 8984.34 LDB: ============== END OF LOAD BALANCING =============== 8984.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8984.35 LDB: ============= START OF LOAD BALANCING ============== 8984.66 LDB: Largest compute 7025 load 0.033817 is 17.3% of average load 0.195467 LDB: Average compute 0.004385 is 2.2% of average load 0.195467 LDB: TIME 8984.66 LOAD: AVG 0.195467 MAX 0.215914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.945 MB LDB: TIME 8984.66 LOAD: AVG 0.195467 MAX 0.215914 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.016 MB LDB: TIME 8984.66 LOAD: AVG 0.195467 MAX 0.215914 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.016 MB LDB: ============== END OF LOAD BALANCING =============== 8984.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8984.67 PRESSURE: 2816400 55.5772 -22.8774 -118.479 -22.8778 -35.756 5.99453 -118.479 5.99451 -223.367 GPRESSURE: 2816400 118.847 -26.5432 -129.501 -2.85331 4.03765 -113.01 -83.9244 -30.9679 -242.741 PRESSAVG: 2816400 -37.8321 -46.9875 45.7782 -46.9876 2.30084 -63.0256 45.7781 -63.0256 8.73422 GPRESSAVG: 2816400 -38.351 -47.5931 46.1771 -45.6379 1.49994 -63.556 45.177 -63.8647 9.76853 TIMING: 2816400 CPU: 8972.56, 0.00317689/step Wall: 8972.56, 0.00317689/step, 1.92696 hours remaining, 232.250000 MB of memory in use. ENERGY: 2816400 4028.0632 20374.3846 14304.3957 243.5045 -203194.4805 2526.8589 0.0000 0.0000 52243.4552 -109473.8185 300.2439 -161717.2737 -109110.0102 299.7396 -67.8484 -39.9524 759734.3171 -8.9324 -9.0275 PRESSURE: 2816600 79.0188 68.412 -197.23 68.4119 30.4416 -70.8304 -197.229 -70.831 -10.92 GPRESSURE: 2816600 122.905 -10.5692 -142.767 68.9281 25.0854 -26.2113 -317.062 1.92031 40.1671 PRESSAVG: 2816600 37.4434 15.389 19.3599 15.3889 10.8356 -18.7335 19.3599 -18.7335 -7.72307 GPRESSAVG: 2816600 37.7862 16.8432 19.3561 14.6777 11.0661 -19.5192 21.1493 -17.2351 -8.08019 TIMING: 2816600 CPU: 8973.18, 0.00311475/step Wall: 8973.18, 0.00311475/step, 1.88909 hours remaining, 232.593750 MB of memory in use. ENERGY: 2816600 3868.1847 20456.8699 14336.0196 247.7396 -203107.0160 2538.6405 0.0000 0.0000 51927.5127 -109732.0489 298.4281 -161659.5617 -109385.3613 299.1005 32.8468 62.7191 760660.3595 13.5186 13.5907 PRESSURE: 2816800 -183.25 -37.6141 18.78 -37.6143 -63.1637 -129.935 18.7792 -129.935 -30.163 GPRESSURE: 2816800 -91.462 -96.2724 83.9111 -37.8055 -14.4127 -152.212 62.4499 -39.4379 -85.4737 PRESSAVG: 2816800 -33.0757 -27.9014 -37.1058 -27.9014 48.5563 7.04849 -37.1057 7.04851 2.6956 GPRESSAVG: 2816800 -33.1546 -28.2611 -36.8261 -29.2326 47.4174 8.09537 -40.0357 6.25709 3.40491 TIMING: 2816800 CPU: 8973.81, 0.00313684/step Wall: 8973.81, 0.00313684/step, 1.90232 hours remaining, 232.593750 MB of memory in use. ENERGY: 2816800 3949.5728 20393.1322 14338.4222 271.0544 -203096.1781 2455.7394 0.0000 0.0000 51982.0175 -109706.2397 298.7414 -161688.2571 -109349.9120 298.8877 -92.1921 -63.7828 759549.0303 6.0587 5.8892 PRESSURE: 2817000 -205.9 147.385 -85.0348 147.385 4.43849 93.5888 -85.0356 93.5893 -602.594 GPRESSURE: 2817000 -51.9066 30.7075 -124.495 178.366 -83.9747 97.8731 -48.0075 60.3525 -575.443 PRESSAVG: 2817000 74.306 4.97226 -18.4153 4.97224 -14.0728 -31.8407 -18.4153 -31.8407 -3.00396 GPRESSAVG: 2817000 74.0149 5.68838 -19.8909 4.67304 -13.4605 -32.6666 -17.3209 -31.9732 -3.46722 TIMING: 2817000 CPU: 8974.44, 0.00313856/step Wall: 8974.44, 0.00313856/step, 1.90319 hours remaining, 232.664062 MB of memory in use. ENERGY: 2817000 3965.3783 20401.1169 14406.3750 243.5553 -202898.1978 2148.8144 0.0000 0.0000 52040.0505 -109692.9073 299.0749 -161732.9577 -109327.5792 298.7340 -268.0185 -237.1083 759419.7308 19.0764 19.0290 PRESSURE: 2817200 -127.106 -168.135 -85.4169 -168.135 -242.827 25.7026 -85.4167 25.7025 -125.699 GPRESSURE: 2817200 -116.68 -231.558 -2.71643 -124.753 -169.724 17.4732 22.6069 -54.0365 -132.337 PRESSAVG: 2817200 -12.9009 -40.678 13.3134 -40.678 31.9423 -36.7419 13.3134 -36.7419 7.57927 GPRESSAVG: 2817200 -13.2808 -41.3272 15.0674 -38.6328 31.4612 -35.6097 13.386 -36.6005 8.26952 TIMING: 2817200 CPU: 8975.07, 0.00315089/step Wall: 8975.07, 0.00315089/step, 1.91049 hours remaining, 232.664062 MB of memory in use. ENERGY: 2817200 3993.1360 20540.0819 14448.6571 216.8459 -202921.3402 2299.9937 0.0000 0.0000 51610.9031 -109811.7225 296.6086 -161422.6256 -109454.6912 298.7224 -165.2108 -139.5807 761942.2981 8.8735 8.8166 PRESSURE: 2817400 -122.183 -186.234 31.5167 -186.234 -117.203 243.328 31.5165 243.329 -149.432 GPRESSURE: 2817400 -130.487 -120.944 79.1737 -147.332 -37.2205 259.532 -81.1809 187.319 -127.664 PRESSAVG: 2817400 -14.5214 21.6845 -20.4469 21.6845 30.5283 -51.7239 -20.4469 -51.7239 4.3398 GPRESSAVG: 2817400 -14.2378 22.0247 -21.3061 20.6309 31.0861 -52.6433 -18.7303 -52.8648 3.40381 TIMING: 2817400 CPU: 8975.7, 0.00312964/step Wall: 8975.7, 0.00312964/step, 1.89743 hours remaining, 232.664062 MB of memory in use. ENERGY: 2817400 3916.7029 20424.2762 14437.1759 253.4483 -202938.3922 2338.5462 0.0000 0.0000 51789.3669 -109778.8760 297.6342 -161568.2428 -109427.3346 298.4730 -129.6059 -98.4572 760861.7574 6.7822 6.7507 PRESSURE: 2817600 101.145 -158.431 231.16 -158.431 -107.07 11.6621 231.161 11.6617 -530.263 GPRESSURE: 2817600 126.91 -52.7745 219.697 -30.2636 -153.881 70.4036 76.3358 -89.3848 -419.218 PRESSAVG: 2817600 -20.5782 -39.3347 10.8056 -39.3347 16.1587 -26.9226 10.8056 -26.9226 -28.1618 GPRESSAVG: 2817600 -20.6939 -40.1819 11.1849 -38.5154 15.8811 -24.7686 9.56701 -27.3272 -26.8447 TIMING: 2817600 CPU: 8976.32, 0.00314452/step Wall: 8976.32, 0.00314452/step, 1.90628 hours remaining, 232.664062 MB of memory in use. ENERGY: 2817600 3960.8838 20419.1845 14392.8567 247.7711 -203802.2166 2962.4029 0.0000 0.0000 51867.0309 -109952.0867 298.0805 -161819.1176 -109593.2639 298.6685 -178.7294 -148.7296 760221.4882 -10.8605 -10.5525 PRESSURE: 2817800 -180.191 202.225 -82.3116 202.226 61.794 -184.31 -82.3116 -184.309 -286.135 GPRESSURE: 2817800 -105.049 237.475 -112.962 173.895 93.6256 -183.372 -31.6943 -125.81 -302.007 PRESSAVG: 2817800 15.6164 -35.8388 -2.80275 -35.8388 23.5827 -39.4959 -2.80275 -39.4959 8.38931 GPRESSAVG: 2817800 15.9462 -36.5035 -1.63562 -34.9945 23.4198 -41.39 -3.88891 -36.9131 7.91665 TIMING: 2817800 CPU: 8976.95, 0.00313163/step Wall: 8976.95, 0.00313163/step, 1.89829 hours remaining, 232.664062 MB of memory in use. ENERGY: 2817800 3925.5042 20163.1578 14474.9766 273.0377 -202979.3097 2082.6464 0.0000 0.0000 52081.8690 -109978.1179 299.3152 -162059.9869 -109606.0153 298.0683 -134.8439 -104.4769 760501.7620 15.8628 15.7609 PRESSURE: 2818000 67.1327 -185.042 -67.216 -185.042 -61.1208 37.6141 -67.2155 37.612 475.007 GPRESSURE: 2818000 14.2465 -214.039 -26.4912 -95.2653 51.4433 59.9708 64.5158 50.502 483.593 PRESSAVG: 2818000 15.3311 -42.3507 38.6635 -42.3507 -33.8251 -28.923 38.6635 -28.9229 22.498 GPRESSAVG: 2818000 14.5453 -39.4205 37.6191 -44.4551 -33.0719 -27.9959 38.3214 -31.2536 22.8574 TIMING: 2818000 CPU: 8977.58, 0.00312842/step Wall: 8977.58, 0.00312842/step, 1.89617 hours remaining, 232.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2818000 3960.8027 20363.0870 14393.9000 243.8013 -203550.7361 2556.5068 0.0000 0.0000 52143.4296 -109889.2088 299.6690 -162032.6384 -109527.7366 298.2650 160.3395 183.0944 760380.2017 1.3347 1.4436 PRESSURE: 2818200 61.7532 26.1682 329.088 26.1682 -46.2477 24.8418 329.087 24.8422 424.811 GPRESSURE: 2818200 124.448 58.2009 284.279 -13.507 39.4797 -52.8229 203.362 -88.9111 377.365 PRESSAVG: 2818200 -0.67783 -17.3582 26.8811 -17.3582 13.9046 -17.7719 26.8811 -17.7718 7.58181 GPRESSAVG: 2818200 -0.43231 -21.5803 26.9724 -16.5323 15.2027 -19.4744 29.128 -16.2664 6.09316 TIMING: 2818200 CPU: 8978.2, 0.00312419/step Wall: 8978.2, 0.00312419/step, 1.89343 hours remaining, 232.664062 MB of memory in use. ENERGY: 2818200 3990.6395 20334.8562 14375.6382 231.1731 -203374.7206 2571.7045 0.0000 0.0000 51898.8064 -109971.9027 298.2632 -161870.7091 -109618.6883 298.1381 146.7721 180.4309 760547.1398 6.9362 6.9545 PRESSURE: 2818400 85.1346 4.0927 -185.702 4.09305 -160.368 78.0924 -185.702 78.0931 -126.594 GPRESSURE: 2818400 82.4935 10.2203 -247.175 -57.8495 -29.3467 123.397 -136.019 -110.176 -153.841 PRESSAVG: 2818400 90.8855 -47.7573 -33.4143 -47.7573 -45.0696 -17.9205 -33.4143 -17.9204 -2.43042 GPRESSAVG: 2818400 91.3985 -46.0015 -34.5625 -47.5331 -45.4174 -16.413 -35.263 -20.4135 -2.13557 TIMING: 2818400 CPU: 8978.83, 0.00314437/step Wall: 8978.83, 0.00314437/step, 1.90549 hours remaining, 232.664062 MB of memory in use. ENERGY: 2818400 3961.6455 20319.5699 14401.6116 257.7582 -203062.5373 2269.8605 0.0000 0.0000 51965.7294 -109886.3622 298.6478 -161852.0916 -109522.7989 298.4975 -67.2758 -33.5647 760280.5746 14.4618 14.6152 PRESSURE: 2818600 -337.986 -8.17082 -50.5999 -8.16969 -214.201 87.4095 -50.5993 87.4088 -284.441 GPRESSURE: 2818600 -271.61 -74.5509 39.1051 -92.6315 -255.079 137.627 -28.2388 -24.5943 -224.906 PRESSAVG: 2818600 91.5193 -62.0817 -40.3839 -62.0817 -81.9377 -38.1903 -40.3839 -38.1904 -15.4464 GPRESSAVG: 2818600 90.4937 -62.2697 -40.0898 -61.5287 -81.1145 -39.189 -40.0143 -36.7793 -15.0417 TIMING: 2818600 CPU: 8979.46, 0.00315239/step Wall: 8979.46, 0.00315239/step, 1.91017 hours remaining, 232.648438 MB of memory in use. ENERGY: 2818600 3975.4599 20564.4754 14470.9487 252.9454 -203293.7533 2412.1550 0.0000 0.0000 51839.8705 -109777.8983 297.9244 -161617.7688 -109416.0196 299.0784 -278.8760 -250.5313 759816.0254 -1.9550 -1.8875 PRESSURE: 2818800 217.469 -88.2512 -20.4069 -88.2509 74.7992 85.1832 -20.4068 85.1831 -193.943 GPRESSURE: 2818800 297.36 16.3091 -88.5085 -30.9986 92.6166 137.758 109.018 -16.2626 -227.035 PRESSAVG: 2818800 19.363 -56.5102 10.4017 -56.5102 -60.2669 -4.00534 10.4017 -4.00543 -0.474319 GPRESSAVG: 2818800 21.0913 -56.7203 12.2069 -54.7368 -62.4984 -2.75678 13.6544 -4.54327 -0.336155 TIMING: 2818800 CPU: 8980.09, 0.00314677/step Wall: 8980.09, 0.00314677/step, 1.90659 hours remaining, 232.648438 MB of memory in use. ENERGY: 2818800 3984.6979 20487.3863 14452.7096 246.8312 -203292.0479 2226.3297 0.0000 0.0000 52087.6526 -109806.4406 299.3485 -161894.0932 -109429.7283 298.9110 32.7751 54.3137 759121.0645 -13.7928 -13.9144 PRESSURE: 2819000 -139.885 -149.143 -167.365 -149.142 237.637 117.744 -167.365 117.744 47.5704 GPRESSURE: 2819000 -76.4623 -136.82 -224.239 -40.4991 284.661 37.6172 -214.539 113.802 14.772 PRESSAVG: 2819000 19.2737 -67.8255 33.2666 -67.8255 -18.7207 -2.03224 33.2666 -2.03219 31.3748 GPRESSAVG: 2819000 18.0562 -66.4675 30.5776 -69.3367 -16.7112 -2.92102 30.8442 -0.478769 31.2398 TIMING: 2819000 CPU: 8980.71, 0.00312253/step Wall: 8980.71, 0.00312253/step, 1.89174 hours remaining, 232.648438 MB of memory in use. ENERGY: 2819000 3998.5786 20644.3356 14456.3692 250.8852 -203191.7991 2374.2313 0.0000 0.0000 52006.5798 -109460.8194 298.8825 -161467.3992 -109103.8461 299.2670 48.4408 74.3236 760657.0143 10.6426 10.8616 PRESSURE: 2819200 -121.204 -12.7177 -254.164 -12.7183 73.2781 -9.62028 -254.165 -9.61996 203.031 GPRESSURE: 2819200 -77.5793 -100.571 -198.337 -98.1559 143.164 -14.1279 -120.648 -91.4787 193.264 PRESSAVG: 2819200 15.8614 -75.1728 -11.901 -75.1727 -5.91288 -11.4799 -11.9009 -11.4799 0.35946 GPRESSAVG: 2819200 16.1878 -77.6506 -8.88238 -76.0862 -5.36255 -11.7025 -12.4672 -13.1851 0.271536 TIMING: 2819200 CPU: 8981.34, 0.00311102/step Wall: 8981.34, 0.00311102/step, 1.88459 hours remaining, 232.664062 MB of memory in use. ENERGY: 2819200 3909.5767 20459.1579 14462.3471 256.2102 -203217.7450 2629.3605 0.0000 0.0000 51773.9502 -109727.1424 297.5456 -161501.0926 -109358.5329 299.1272 51.7016 86.2829 761915.1656 3.4360 3.6989 PRESSURE: 2819400 411.936 11.9825 54.6096 11.9825 -91.2445 87.5314 54.6098 87.5308 -84.8854 GPRESSURE: 2819400 464.931 -14.8148 30.1665 -27.1507 -114.921 96.114 60.5736 101.783 -12.3447 PRESSAVG: 2819400 -20.9926 -50.4949 -48.9327 -50.495 -6.09257 15.8928 -48.9327 15.8928 -3.59506 GPRESSAVG: 2819400 -19.7927 -49.8257 -49.5422 -49.3748 -7.35473 16.337 -46.5374 15.9931 -3.22318 TIMING: 2819400 CPU: 8981.96, 0.00309863/step Wall: 8981.96, 0.00309863/step, 1.87691 hours remaining, 232.664062 MB of memory in use. ENERGY: 2819400 3934.2376 20468.1298 14405.3543 253.0077 -204041.5349 3039.6697 0.0000 0.0000 52066.8609 -109874.2749 299.2290 -161941.1358 -109516.1266 298.7970 78.6022 112.5551 762630.0496 -10.2267 -10.1235 PRESSURE: 2819600 35.7573 90.4001 -104.852 90.4008 -33.1519 41.2199 -104.853 41.2185 256.206 GPRESSURE: 2819600 30.0169 97.1213 -92.4594 39.0707 111.124 73.7921 -125.8 78.4707 194.074 PRESSAVG: 2819600 47.4205 -6.20409 34.2472 -6.20407 6.12592 -5.86172 34.2472 -5.86174 -18.7327 GPRESSAVG: 2819600 46.2659 -4.37284 33.3272 -6.81855 7.1344 -5.95381 31.4594 -2.51905 -18.7129 TIMING: 2819600 CPU: 8982.58, 0.0031232/step Wall: 8982.58, 0.0031232/step, 1.89162 hours remaining, 232.664062 MB of memory in use. ENERGY: 2819600 3938.5219 20329.2135 14370.5264 246.7614 -203282.9209 2454.0788 0.0000 0.0000 51909.4667 -110034.3522 298.3244 -161943.8189 -109671.1676 298.3377 86.2706 111.7382 761236.2806 11.6046 11.5625 PRESSURE: 2819800 39.4922 -28.0282 93.7903 -28.0287 -198.71 154.126 93.7908 154.127 198.87 GPRESSURE: 2819800 -8.66314 -9.6637 45.0465 37.1868 -80.3895 125.987 108.773 30.2481 208.973 PRESSAVG: 2819800 7.55939 11.1263 30.377 11.1264 31.2011 -32.5637 30.377 -32.5637 -19.2946 GPRESSAVG: 2819800 6.35151 9.74697 30.9791 10.8403 31.1553 -33.8114 32.6851 -33.0477 -18.5215 TIMING: 2819800 CPU: 8983.21, 0.00313816/step Wall: 8983.21, 0.00313816/step, 1.9005 hours remaining, 232.664062 MB of memory in use. ENERGY: 2819800 4012.9370 20348.2741 14366.1906 231.5672 -203580.1454 2712.8141 0.0000 0.0000 51897.3346 -110011.0277 298.2547 -161908.3623 -109654.7872 298.5039 13.2173 39.9736 761283.0556 6.4886 6.3284 PRESSURE: 2820000 -131.075 17.2815 183.789 17.2813 -307.112 2.53951 183.789 2.53861 -283.513 GPRESSURE: 2820000 -124.359 -0.35734 159.813 92.3171 -210.834 -14.0821 166.813 -46.1246 -307.252 PRESSAVG: 2820000 -24.2595 3.99743 20.9357 3.9974 12.0419 -34.4278 20.9359 -34.4279 -8.40134 GPRESSAVG: 2820000 -23.3878 4.69778 21.9882 4.68751 11.5904 -33.5064 20.2833 -37.273 -8.34947 TIMING: 2820000 CPU: 8983.83, 0.00312912/step Wall: 8983.83, 0.00312911/step, 1.89485 hours remaining, 232.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2820000 3998.8974 20489.3077 14436.3500 259.8632 -203281.0383 2346.0434 0.0000 0.0000 51993.9277 -109756.6488 298.8098 -161750.5766 -109405.7342 298.8345 -240.5665 -214.1481 761411.8350 -6.8729 -6.7156 PRESSURE: 2820200 83.3585 -81.5717 -112.392 -81.5723 131.264 -71.9989 -112.393 -71.9993 151.861 GPRESSURE: 2820200 84.7941 -14.6151 -144.062 -91.571 150.247 -4.78788 -99.179 -212.427 212.019 PRESSAVG: 2820200 34.1949 -5.58783 -18.8954 -5.58783 4.34948 -20.9656 -18.8954 -20.9655 16.9124 GPRESSAVG: 2820200 34.8353 -5.52093 -19.0051 -6.44402 4.81651 -20.2708 -19.6713 -22.4289 15.957 TIMING: 2820200 CPU: 8984.47, 0.00316271/step Wall: 8984.47, 0.00316272/step, 1.91503 hours remaining, 232.664062 MB of memory in use. ENERGY: 2820200 4019.7694 20566.8296 14404.1835 240.0799 -203648.4916 2563.4433 0.0000 0.0000 51926.1007 -109928.0852 298.4200 -161854.1859 -109567.0006 298.9474 122.1611 149.0199 759952.2508 18.4856 18.5363 LDB: ============= START OF LOAD BALANCING ============== 8996.89 LDB: ============== END OF LOAD BALANCING =============== 8996.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8996.89 LDB: ============= START OF LOAD BALANCING ============== 8997.21 LDB: Largest compute 7047 load 0.031805 is 16.3% of average load 0.195537 LDB: Average compute 0.004389 is 2.2% of average load 0.195537 LDB: TIME 8997.21 LOAD: AVG 0.195537 MAX 0.218563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 8997.21 LOAD: AVG 0.195537 MAX 0.218563 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.375 MB LDB: TIME 8997.21 LOAD: AVG 0.195537 MAX 0.216055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.375 MB LDB: ============== END OF LOAD BALANCING =============== 8997.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8997.22 Info: useSync: 0 useProxySync: 0 PRESSURE: 2820400 25.3939 148.511 4.89629 148.51 122.477 -88.6804 4.89566 -88.68 52.5538 GPRESSURE: 2820400 72.0625 145.836 -20.7737 89.782 173.631 -72.4946 0.662755 -12.9715 53.4137 PRESSAVG: 2820400 15.1048 9.39833 6.36014 9.39829 -4.98046 -14.0665 6.36008 -14.0665 7.5704 GPRESSAVG: 2820400 14.6406 8.22943 5.17628 9.91195 -5.26666 -15.1242 8.28635 -12.2943 8.57305 TIMING: 2820400 CPU: 8985.11, 0.00322223/step Wall: 8985.11, 0.00322223/step, 1.95088 hours remaining, 234.136719 MB of memory in use. ENERGY: 2820400 3987.4093 20631.9293 14369.4349 262.3428 -203646.6769 2498.4910 0.0000 0.0000 51664.4330 -110232.6368 296.9162 -161897.0698 -109876.0806 298.1639 66.8083 99.7025 759351.0931 5.8982 5.9823 PRESSURE: 2820600 31.2396 -1.07434 -367.352 -1.07481 -472.154 23.797 -367.353 23.7975 284.945 GPRESSURE: 2820600 -50.4783 58.0387 -436.488 -134.172 -337.962 -34.5303 -235.675 33.2351 323.207 PRESSAVG: 2820600 40.0572 45.3345 -62.1023 45.3346 -60.9172 -10.7543 -62.1022 -10.7545 -9.33851 GPRESSAVG: 2820600 40.9586 45.8148 -61.4468 45.3703 -60.5504 -10.5596 -63.7946 -8.9207 -10.176 TIMING: 2820600 CPU: 8985.74, 0.00313614/step Wall: 8985.74, 0.00313614/step, 1.89858 hours remaining, 234.136719 MB of memory in use. ENERGY: 2820600 3909.0518 20377.0541 14343.9854 254.8649 -203522.2852 2649.6105 0.0000 0.0000 51909.7858 -110077.9326 298.3263 -161987.7184 -109704.7802 298.7109 -51.9900 -21.7446 760923.5678 -10.0662 -9.9226 PRESSURE: 2820800 51.3358 27.6722 -53.0038 27.672 146.769 126.343 -53.0034 126.344 -31.1102 GPRESSURE: 2820800 104.517 8.01355 36.5763 77.6279 91.1327 138.207 -22.7639 143.334 64.5578 PRESSAVG: 2820800 44.8662 -29.4414 -23.498 -29.4413 -38.0085 -48.8238 -23.4981 -48.8239 -6.25939 GPRESSAVG: 2820800 43.9585 -28.601 -23.9633 -30.0633 -38.1728 -48.3435 -22.6746 -50.4709 -5.94588 TIMING: 2820800 CPU: 8986.37, 0.00313598/step Wall: 8986.37, 0.00313598/step, 1.89831 hours remaining, 234.136719 MB of memory in use. ENERGY: 2820800 3885.2798 20479.5174 14388.1739 245.6612 -203329.5811 2431.3891 0.0000 0.0000 51820.1201 -110079.4397 297.8109 -161899.5598 -109716.7284 298.2574 55.6648 86.7358 760220.1246 0.1994 -0.0534 PRESSURE: 2821000 105.946 -100.066 158.006 -100.066 -254.455 39.6066 158.005 39.6068 160.932 GPRESSURE: 2821000 107.363 -178.37 164.042 -96.3259 -159.736 20.8816 114.8 88.3916 146.251 PRESSAVG: 2821000 36.861 -65.8079 24.4806 -65.8079 -75.7815 -1.08403 24.4806 -1.08403 15.6199 GPRESSAVG: 2821000 36.4733 -65.6332 26.8039 -65.7909 -75.3945 0.0868731 23.0163 -3.03809 15.5516 TIMING: 2821000 CPU: 8986.99, 0.00311338/step Wall: 8986.99, 0.00311338/step, 1.88446 hours remaining, 234.136719 MB of memory in use. ENERGY: 2821000 3973.2052 20561.1714 14366.6487 249.7538 -203617.6113 2438.5902 0.0000 0.0000 51986.9497 -110041.2923 298.7697 -162028.2420 -109676.6747 298.8300 4.1408 31.2926 758223.8278 -7.7669 -7.7899 PRESSURE: 2821200 149.698 15.1477 -128.996 15.1478 -100.764 -32.574 -128.995 -32.5731 35.5886 GPRESSURE: 2821200 105.845 120.317 -33.2029 123.619 -81.9998 -79.18 -31.5929 -78.7884 154.128 PRESSAVG: 2821200 11.3422 -35.4644 40.3237 -35.4644 20.5869 -17.4179 40.3237 -17.4179 -10.7206 GPRESSAVG: 2821200 10.6171 -36.6857 39.5411 -33.9505 21.2855 -17.104 42.5285 -15.3535 -10.5251 TIMING: 2821200 CPU: 8987.61, 0.0031152/step Wall: 8987.61, 0.0031152/step, 1.88539 hours remaining, 234.136719 MB of memory in use. ENERGY: 2821200 3952.8794 20653.6029 14396.9794 253.6253 -203575.4823 2228.4537 0.0000 0.0000 51790.8391 -110299.1025 297.6427 -162089.9416 -109943.4496 298.6071 28.1743 59.3243 758835.3546 7.0695 7.1258 PRESSURE: 2821400 -74.7516 85.232 33.0675 85.2328 316.572 -205.48 33.0677 -205.481 483.604 GPRESSURE: 2821400 43.2047 88.7998 40.4682 92.1731 216.423 -261.523 -24.6657 -124.721 555.008 PRESSAVG: 2821400 -0.850017 46.8394 -25.0552 46.8394 -53.3942 -19.4841 -25.0552 -19.4841 17.8651 GPRESSAVG: 2821400 0.837569 47.0679 -26.3202 45.454 -55.7564 -20.5365 -26.6985 -20.9967 17.9928 TIMING: 2821400 CPU: 8988.24, 0.00312043/step Wall: 8988.24, 0.00312043/step, 1.88838 hours remaining, 234.136719 MB of memory in use. ENERGY: 2821400 3951.8499 20510.2748 14409.6593 226.3778 -203859.1350 2607.1817 0.0000 0.0000 51658.2517 -110495.5398 296.8807 -162153.7915 -110133.3966 298.4288 241.8084 271.5453 758499.5770 -12.1264 -12.3087 PRESSURE: 2821600 153.3 111.262 9.79818 111.263 161.639 -74.4987 9.79816 -74.4998 504.355 GPRESSURE: 2821600 203.096 48.1289 29.6162 172.066 230.944 27.0996 68.9138 -31.0198 462.995 PRESSAVG: 2821600 -75.1071 18.1746 17.7069 18.1747 54.5373 -44.6188 17.7069 -44.6188 -17.8083 GPRESSAVG: 2821600 -75.5115 17.856 17.2992 19.6571 54.8574 -43.7938 18.739 -43.6883 -17.7632 TIMING: 2821600 CPU: 8988.86, 0.00311154/step Wall: 8988.86, 0.00311154/step, 1.88282 hours remaining, 234.136719 MB of memory in use. ENERGY: 2821600 3890.4420 20593.4011 14374.6366 234.0706 -203917.7572 2607.1805 0.0000 0.0000 51936.1729 -110281.8535 298.4779 -162218.0264 -109918.7493 297.9829 273.0978 299.0114 758474.7206 -12.7927 -12.8058 PRESSURE: 2821800 -180.265 -39.3352 198.325 -39.3357 -228.558 111.062 198.325 111.061 -71.7969 GPRESSURE: 2821800 -153.215 -189.297 187.988 40.8036 -186.394 24.2223 181.519 81.2883 -47.3006 PRESSAVG: 2821800 -12.7633 -23.0432 27.6639 -23.0431 48.1245 15.371 27.6639 15.371 6.79571 GPRESSAVG: 2821800 -14.0979 -21.683 27.3418 -25.0011 49.5731 12.8655 29.8105 16.4474 6.62147 TIMING: 2821800 CPU: 8989.48, 0.003115/step Wall: 8989.48, 0.003115/step, 1.88475 hours remaining, 234.136719 MB of memory in use. ENERGY: 2821800 3982.0584 20480.1351 14378.0435 249.7573 -203613.3636 2564.5334 0.0000 0.0000 51816.7007 -110142.1352 297.7913 -161958.8359 -109785.6063 298.0189 -160.2067 -128.9701 759246.3261 14.0523 14.0322 PRESSURE: 2822000 119.878 -131.207 60.568 -131.207 256.712 -273.965 60.568 -273.966 -16.1267 GPRESSURE: 2822000 135.667 -24.5858 6.05031 -180.76 198.431 -282.799 33.7752 -221.58 113.226 PRESSAVG: 2822000 22.3 -18.5999 47.8762 -18.6 -8.529 -0.138866 47.8762 -0.138868 -7.22731 GPRESSAVG: 2822000 23.2926 -18.294 48.3923 -18.537 -9.08824 0.822525 45.2261 -0.516027 -7.73961 TIMING: 2822000 CPU: 8990.1, 0.0031106/step Wall: 8990.1, 0.0031106/step, 1.88191 hours remaining, 234.136719 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: 2822000 4049.4667 20579.4259 14379.6842 242.4807 -204191.5381 2808.4096 0.0000 0.0000 51909.0817 -110222.9893 298.3222 -162132.0710 -109863.8218 298.4984 120.1545 149.1080 757792.6992 2.1812 2.1549 PRESSURE: 2822200 -378.619 -79.175 -97.7275 -79.1749 -243.986 21.1476 -97.728 21.1478 154.585 GPRESSURE: 2822200 -280.443 -63.1829 0.185973 -80.8966 -286.205 -99.9843 -58.5023 -37.3772 165.84 PRESSAVG: 2822200 -3.60915 -46.624 34.0125 -46.6241 -66.2622 20.2782 34.0125 20.2782 -5.37544 GPRESSAVG: 2822200 -3.84044 -47.6224 33.8162 -46.9622 -67.5771 21.0539 34.1628 17.273 -4.86151 TIMING: 2822200 CPU: 8990.72, 0.00310466/step Wall: 8990.72, 0.00310466/step, 1.87815 hours remaining, 234.136719 MB of memory in use. ENERGY: 2822200 4102.4286 20465.2636 14442.7731 247.0544 -203812.6271 2556.1313 0.0000 0.0000 51698.1894 -110300.7867 297.1102 -161998.9761 -109950.3768 298.4827 -156.0066 -133.6028 759946.8034 -25.0823 -25.4263 PRESSURE: 2822400 410.996 203.361 19.2792 203.36 102.496 -28.3619 19.2788 -28.3617 224.271 GPRESSURE: 2822400 494.18 125.788 61.6646 202.268 132.049 76.308 -53.4262 -132.323 221.733 PRESSAVG: 2822400 41.1963 -1.32192 -12.745 -1.3219 -12.1593 20.2602 -12.745 20.2601 22.2464 GPRESSAVG: 2822400 42.1809 -3.7855 -11.2063 0.217164 -12.8645 19.4504 -14.296 21.9546 22.0484 TIMING: 2822400 CPU: 8991.35, 0.0031251/step Wall: 8991.35, 0.0031251/step, 1.89034 hours remaining, 234.136719 MB of memory in use. ENERGY: 2822400 3906.9086 20510.3009 14397.2285 240.8749 -204034.0972 2587.7589 0.0000 0.0000 51924.6648 -110466.3607 298.4118 -162391.0255 -110101.6954 297.8555 245.9211 282.6542 757219.1850 17.0945 17.1216 PRESSURE: 2822600 -216.907 198.356 -409.579 198.357 -6.84227 -92.1602 -409.58 -92.1607 -385.74 GPRESSURE: 2822600 -140.191 181.981 -495.612 187.846 20.064 -94.5801 -438.24 -35.7647 -421.658 PRESSAVG: 2822600 4.65979 27.2761 -36.165 27.2761 10.5746 -25.102 -36.165 -25.102 -12.2285 GPRESSAVG: 2822600 2.61088 29.199 -38.7983 26.1218 12.3205 -24.6065 -32.8588 -23.1117 -12.3933 TIMING: 2822600 CPU: 8991.98, 0.00312936/step Wall: 8991.98, 0.00312936/step, 1.89274 hours remaining, 234.136719 MB of memory in use. ENERGY: 2822600 3921.5302 20507.1247 14402.9305 237.6057 -203541.3149 2140.2873 0.0000 0.0000 51912.6421 -110419.1944 298.3427 -162331.8365 -110061.6167 297.6576 -203.1632 -180.5951 758921.3138 1.0020 0.8460 PRESSURE: 2822800 164.469 33.3824 78.4219 33.3822 257.002 -151.749 78.4222 -151.748 24.5266 GPRESSURE: 2822800 278.347 -22.5383 47.6319 -57.602 176.853 -217.035 57.1766 -231.61 68.522 PRESSAVG: 2822800 -3.84747 -25.9326 -16.8619 -25.9326 -7.62378 -68.2364 -16.8619 -68.2364 11.7753 GPRESSAVG: 2822800 -2.90454 -25.5437 -16.0115 -27.0383 -9.13111 -69.1313 -16.6008 -69.6618 12.3582 TIMING: 2822800 CPU: 8992.6, 0.00310081/step Wall: 8992.6, 0.00310081/step, 1.8753 hours remaining, 234.136719 MB of memory in use. ENERGY: 2822800 4003.2874 20286.5764 14424.9328 233.9633 -203744.9534 2574.7488 0.0000 0.0000 51997.9542 -110223.4907 298.8330 -162221.4449 -109862.0075 298.1908 148.6657 174.5740 758124.9011 0.1013 0.1075 PRESSURE: 2823000 163.798 118.964 -57.2132 118.965 -187.955 -57.702 -57.2129 -57.7025 -261.834 GPRESSURE: 2823000 149.937 153.073 -27.3317 40.3957 -143.986 64.8744 -102.591 32.9989 -200.735 PRESSAVG: 2823000 68.7135 35.4672 -74.9522 35.4672 -43.8634 -35.0994 -74.9522 -35.0994 4.74472 GPRESSAVG: 2823000 68.4632 35.1296 -73.5805 36.0383 -44.4935 -33.9759 -77.6565 -34.3538 5.61397 TIMING: 2823000 CPU: 8993.22, 0.00311729/step Wall: 8993.22, 0.00311729/step, 1.8851 hours remaining, 234.136719 MB of memory in use. ENERGY: 2823000 3991.1985 20506.9581 14434.2996 241.9025 -203403.4485 2366.0775 0.0000 0.0000 51647.9166 -110215.0957 296.8213 -161863.0123 -109865.7443 298.3094 -95.3304 -64.9281 759302.0242 9.8650 9.8612 PRESSURE: 2823200 398.911 -68.5398 -24.5674 -68.5392 -32.8642 88.367 -24.5674 88.3671 -118.768 GPRESSURE: 2823200 423.886 -86.1131 -29.5073 -33.9056 56.0251 65.0564 -33.1936 -5.45714 -126.734 PRESSAVG: 2823200 34.1056 13.3808 -20.3076 13.3808 -15.5142 -16.29 -20.3076 -16.29 -6.32961 GPRESSAVG: 2823200 33.657 15.0912 -20.4218 15.2197 -13.5384 -17.1509 -20.0209 -16.9411 -8.17682 TIMING: 2823200 CPU: 8993.84, 0.00312593/step Wall: 8993.84, 0.00312593/step, 1.89014 hours remaining, 234.136719 MB of memory in use. ENERGY: 2823200 3972.2342 20402.9048 14400.6458 225.3483 -204071.5189 2839.4646 0.0000 0.0000 51927.6761 -110303.2452 298.4291 -162230.9213 -109933.7295 297.8165 82.4263 117.7256 757788.9070 4.0873 3.9806 PRESSURE: 2823400 -65.5722 -64.4648 35.2809 -64.4652 -387.228 -149.429 35.2815 -149.429 -128.768 GPRESSURE: 2823400 -33.4571 -28.1005 118.439 -45.2378 -307.897 -215.637 -25.1469 -213.88 -149.477 PRESSAVG: 2823400 -42.1157 -7.10098 -23.8975 -7.101 16.923 13.244 -23.8974 13.2441 -12.1623 GPRESSAVG: 2823400 -42.5104 -7.18612 -24.6386 -9.72828 15.7742 11.6831 -22.6511 12.9702 -11.306 TIMING: 2823400 CPU: 8994.47, 0.00311833/step Wall: 8994.47, 0.00311833/step, 1.88537 hours remaining, 234.136719 MB of memory in use. ENERGY: 2823400 4020.2441 20417.1070 14310.2866 241.0620 -203548.4394 2436.0972 0.0000 0.0000 51859.3050 -110264.3376 298.0361 -162123.6426 -109897.0579 298.0114 -193.8562 -163.6104 758496.5592 -12.4517 -12.6807 PRESSURE: 2823600 -24.8345 106.49 198.336 106.489 -75.4126 14.5952 198.337 14.5954 272.472 GPRESSURE: 2823600 -56.7265 58.7448 123.864 108.888 -21.1351 14.2836 187.532 52.5955 345.42 PRESSAVG: 2823600 51.617 -5.12618 42.9864 -5.12619 -45.6069 -4.61846 42.9863 -4.61842 4.18338 GPRESSAVG: 2823600 52.8948 -6.29165 41.9961 -2.99808 -46.3397 -3.52397 41.6282 -1.56 3.77111 TIMING: 2823600 CPU: 8995.09, 0.0031222/step Wall: 8995.09, 0.0031222/step, 1.88754 hours remaining, 234.136719 MB of memory in use. ENERGY: 2823600 4033.5867 20609.0826 14388.3911 241.2265 -203693.1877 2451.6346 0.0000 0.0000 51739.4399 -110229.8263 297.3473 -161969.2662 -109871.8898 297.8724 57.4084 89.1861 757646.8782 3.3978 3.4421 PRESSURE: 2823800 -197.824 63.4112 -133.261 63.411 68.7253 -16.9953 -133.26 -16.9949 14.0028 GPRESSURE: 2823800 -162.006 94.1768 -96.6625 195.874 116.195 -31.95 78.9859 69.7021 26.0704 PRESSAVG: 2823800 80.9524 -2.0236 19.8573 -2.02366 -75.929 -26.9243 19.8574 -26.9243 -11.0662 GPRESSAVG: 2823800 78.6655 -2.69783 21.5416 -1.24294 -75.2222 -27.451 20.6484 -28.832 -9.43249 TIMING: 2823800 CPU: 8995.72, 0.00312919/step Wall: 8995.72, 0.00312919/step, 1.89159 hours remaining, 234.136719 MB of memory in use. ENERGY: 2823800 3944.8181 20426.4515 14437.1982 241.8397 -203510.7052 2357.7434 0.0000 0.0000 51970.4580 -110132.1963 298.6749 -162102.6543 -109769.2325 297.7370 -38.3653 -6.5803 758893.7119 -2.0143 -1.9964 PRESSURE: 2824000 -102.151 95.0707 -232.505 95.0707 -260.492 18.8875 -232.505 18.8874 187.963 GPRESSURE: 2824000 -52.349 159.618 -215.12 10.3944 -227.727 -21.0619 -206.742 93.2033 187.47 PRESSAVG: 2824000 46.5354 -14.9637 -44.5436 -14.9637 -80.7064 -28.851 -44.5436 -28.851 -3.63046 GPRESSAVG: 2824000 48.1023 -13.3494 -44.2015 -17.3655 -80.7716 -27.8023 -43.5516 -27.7358 -4.72476 TIMING: 2824000 CPU: 8996.34, 0.00311758/step Wall: 8996.34, 0.00311758/step, 1.8844 hours remaining, 234.136719 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: 2824000 4001.2831 20530.2104 14346.6365 252.0383 -203616.8695 2425.1641 0.0000 0.0000 51929.9249 -110131.6122 298.4420 -162061.5371 -109778.9523 297.9374 -58.2268 -30.8687 757980.2797 -12.6005 -12.4647 PRESSURE: 2824200 197.024 -52.7555 262.132 -52.7556 -55.2819 -2.81185 262.132 -2.81148 478.998 GPRESSURE: 2824200 193.609 -6.39158 251.11 -6.70465 59.0715 -28.1331 117.702 -24.0597 452.587 PRESSAVG: 2824200 47.9671 -41.0708 31.8052 -41.0708 -62.8706 -41.6777 31.8051 -41.6778 -19.8943 GPRESSAVG: 2824200 48.3126 -40.4976 30.2095 -41.2991 -62.7451 -41.7448 31.2126 -43.9693 -20.5019 TIMING: 2824200 CPU: 8996.97, 0.00312561/step Wall: 8996.97, 0.00312561/step, 1.88908 hours remaining, 234.136719 MB of memory in use. ENERGY: 2824200 3952.0927 20388.9518 14387.3200 244.2807 -203721.7192 2555.0386 0.0000 0.0000 52166.5440 -110027.4914 299.8018 -162194.0354 -109671.7317 298.0607 206.9131 235.0891 757785.2269 -11.5993 -11.6448 LDB: ============= START OF LOAD BALANCING ============== 9009.39 LDB: ============== END OF LOAD BALANCING =============== 9009.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9009.39 LDB: ============= START OF LOAD BALANCING ============== 9009.7 LDB: Largest compute 7066 load 0.031823 is 16.3% of average load 0.195439 LDB: Average compute 0.004399 is 2.3% of average load 0.195439 LDB: TIME 9009.71 LOAD: AVG 0.195439 MAX 0.218734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.199 MB LDB: TIME 9009.71 LOAD: AVG 0.195439 MAX 0.218734 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: TIME 9009.71 LOAD: AVG 0.195439 MAX 0.215756 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: ============== END OF LOAD BALANCING =============== 9009.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9009.71 PRESSURE: 2824400 -447.534 83.1305 -66.8315 83.1312 -258.766 70.7462 -66.831 70.7459 108.244 GPRESSURE: 2824400 -319.838 -34.8901 -26.7806 46.7413 -269.348 65.0235 23.7977 131.93 70.1712 PRESSAVG: 2824400 23.3787 -0.0318778 14.9325 -0.0318635 -31.4559 17.5061 14.9325 17.5061 -2.63778 GPRESSAVG: 2824400 23.2364 -2.50704 16.5895 2.06127 -31.0259 18.343 15.5372 18.6114 -2.48861 TIMING: 2824400 CPU: 8997.61, 0.0032082/step Wall: 8997.61, 0.0032082/step, 1.93882 hours remaining, 233.816406 MB of memory in use. ENERGY: 2824400 3952.2123 20354.1141 14356.6109 259.7245 -203405.7754 2462.6543 0.0000 0.0000 52158.2035 -109862.2558 299.7539 -162020.4593 -109500.8143 298.2907 -199.3517 -173.0049 760327.6269 -3.5717 -3.4260 PRESSURE: 2824600 32.396 -83.4869 -170.367 -83.4867 -131.284 265.27 -170.368 265.27 -473.808 GPRESSURE: 2824600 81.7853 5.00253 -189.694 -12.1598 -183.977 172.002 -99.6563 287.122 -375.501 PRESSAVG: 2824600 110.601 -23.595 -1.65939 -23.595 -74.6582 12.0997 -1.65943 12.0998 30.2945 GPRESSAVG: 2824600 110.954 -22.1298 -2.7406 -25.3947 -76.0412 11.6098 1.02336 13.0487 31.7386 TIMING: 2824600 CPU: 8998.24, 0.00315224/step Wall: 8998.24, 0.00315224/step, 1.90483 hours remaining, 234.074219 MB of memory in use. ENERGY: 2824600 4060.7795 20472.2390 14415.8105 253.8116 -203471.8485 2259.4066 0.0000 0.0000 52107.6250 -109902.1764 299.4632 -162009.8013 -109543.3226 299.2103 -190.8986 -159.2307 759469.8735 22.0791 22.2170 PRESSURE: 2824800 -415.858 -99.1174 183.101 -99.118 -382.579 -20.9501 183.1 -20.949 -141.686 GPRESSURE: 2824800 -505.773 -23.9521 171.599 -155.481 -227.48 45.4809 93.701 -75.4043 -142.385 PRESSAVG: 2824800 49.3594 -41.9473 -30.0695 -41.9473 -94.4641 -47.9541 -30.0695 -47.9541 -15.8679 GPRESSAVG: 2824800 49.0018 -41.9249 -29.581 -40.9238 -93.7513 -49.1807 -32.5756 -49.6243 -15.9371 TIMING: 2824800 CPU: 8998.87, 0.00314898/step Wall: 8998.87, 0.00314898/step, 1.90268 hours remaining, 234.074219 MB of memory in use. ENERGY: 2824800 4037.4975 20508.9469 14412.6201 242.6414 -203798.2744 2805.8626 0.0000 0.0000 51956.0610 -109834.6448 298.5922 -161790.7058 -109473.0773 298.5864 -313.3744 -291.8792 760343.8928 -20.3242 -20.2289 PRESSURE: 2825000 111.318 -112.65 193.443 -112.65 367.937 66.5697 193.443 66.5705 -312.631 GPRESSURE: 2825000 211.559 -242.088 115.03 -78.6554 341.362 79.234 112.279 -76.3012 -299.707 PRESSAVG: 2825000 9.05683 -29.5311 20.1387 -29.5311 10.5423 -20.343 20.1387 -20.3431 14.2007 GPRESSAVG: 2825000 8.1852 -29.0306 19.3225 -28.9459 11.3474 -20.4804 18.8441 -18.8913 14.0274 TIMING: 2825000 CPU: 8999.5, 0.00314901/step Wall: 8999.5, 0.00314901/step, 1.90252 hours remaining, 234.074219 MB of memory in use. ENERGY: 2825000 4031.1984 20470.8817 14395.9559 252.6410 -203870.1773 2757.8151 0.0000 0.0000 52075.6921 -109885.9932 299.2797 -161961.6853 -109521.9817 298.7969 55.5413 84.4045 760396.5270 11.2666 11.1867 PRESSURE: 2825200 -444.32 -94.1388 -18.9069 -94.1384 -67.8321 206.624 -18.9057 206.624 11.9396 GPRESSURE: 2825200 -279.487 28.123 20.135 49.3555 -156.522 210.348 -131.176 130.112 16.671 PRESSAVG: 2825200 -23.7407 3.06168 -28.4468 3.06174 -26.5821 66.6065 -28.4468 66.6064 -0.159667 GPRESSAVG: 2825200 -23.3045 4.72776 -27.9365 2.30968 -27.2203 67.3733 -25.5146 67.1376 -0.170387 TIMING: 2825200 CPU: 9000.13, 0.00313497/step Wall: 9000.13, 0.00313497/step, 1.89387 hours remaining, 234.085938 MB of memory in use. ENERGY: 2825200 3966.7134 20742.9635 14421.7677 254.1740 -203500.6058 2446.2916 0.0000 0.0000 52145.7037 -109522.9919 299.6821 -161668.6956 -109155.1493 299.4159 -166.7376 -139.7793 759762.3219 -16.8275 -16.8984 PRESSURE: 2825400 108.558 17.5607 83.6122 17.5605 -42.5815 -60.4418 83.6128 -60.4423 -528.907 GPRESSURE: 2825400 194.929 28.396 33.7862 -20.3032 -32.3423 -67.3644 34.7306 -12.0622 -516.474 PRESSAVG: 2825400 55.321 19.976 22.1821 19.9761 -19.3418 -0.0938955 22.1822 -0.0939078 -26.9648 GPRESSAVG: 2825400 54.6745 18.6135 22.6528 20.6942 -18.7924 -0.934578 21.0554 -2.98033 -26.8789 TIMING: 2825400 CPU: 9000.75, 0.00312602/step Wall: 9000.75, 0.00312602/step, 1.88829 hours remaining, 234.085938 MB of memory in use. ENERGY: 2825400 3955.8423 20791.0462 14412.8343 236.8997 -203472.3460 2599.6058 0.0000 0.0000 52230.8625 -109245.2552 300.1715 -161476.1177 -108873.9237 300.3933 -154.3100 -117.9625 759579.2378 3.0048 3.0011 PRESSURE: 2825600 -144.042 -136.189 170.322 -136.188 -394.848 136.718 170.322 136.718 -386.755 GPRESSURE: 2825600 -83.8422 -19.5748 188.614 -29.8105 -359.739 56.9298 75.2509 99.212 -404.627 PRESSAVG: 2825600 13.153 -43.0559 14.9674 -43.0559 3.37202 -15.3368 14.9674 -15.3368 -5.75916 GPRESSAVG: 2825600 14.0378 -41.2584 13.2795 -43.1494 1.84969 -14.6172 15.144 -15.5491 -5.364 TIMING: 2825600 CPU: 9001.38, 0.00314758/step Wall: 9001.38, 0.00314758/step, 1.90114 hours remaining, 234.085938 MB of memory in use. ENERGY: 2825600 4094.7757 20634.4481 14445.2385 247.3346 -203482.6817 2477.1526 0.0000 0.0000 52164.2520 -109419.4802 299.7887 -161583.7322 -109052.5432 300.2390 -308.5484 -282.7360 762019.9234 3.5886 3.5078 PRESSURE: 2825800 43.9794 29.1666 26.6379 29.1672 56.137 -78.4381 26.6371 -78.4392 -300.143 GPRESSURE: 2825800 55.9932 66.217 -17.193 68.2522 76.9409 -80.8841 -23.9466 60.3457 -254.453 PRESSAVG: 2825800 -10.5752 -35.4059 -5.58445 -35.406 31.8306 -9.78285 -5.5845 -9.78283 1.8839 GPRESSAVG: 2825800 -10.3135 -37.0559 -5.34248 -35.3063 31.2924 -8.76067 -5.96707 -7.26781 1.96469 TIMING: 2825800 CPU: 9002.01, 0.00313746/step Wall: 9002.01, 0.00313746/step, 1.89485 hours remaining, 234.289062 MB of memory in use. ENERGY: 2825800 3974.9580 20702.5484 14381.2654 250.7649 -203482.6363 2509.4422 0.0000 0.0000 52246.7870 -109416.8706 300.2630 -161663.6576 -109055.3417 300.4723 -66.6754 -40.5062 761026.1720 7.7131 7.6478 PRESSURE: 2826000 558.202 123.557 203.652 123.557 -154.576 -134.956 203.652 -134.958 316.63 GPRESSURE: 2826000 481.084 57.234 162.28 260.411 -83.1746 -117.903 65.5909 -50.2736 426.95 PRESSAVG: 2826000 18.2137 0.560312 9.02359 0.560334 19.929 -14.4617 9.02369 -14.4616 3.6848 GPRESSAVG: 2826000 17.3616 1.36883 9.55354 -0.371859 21.022 -15.2974 7.85488 -15.3109 3.79142 TIMING: 2826000 CPU: 9002.64, 0.00314423/step Wall: 9002.64, 0.00314423/step, 1.89876 hours remaining, 234.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2826000 3981.7719 20541.6065 14400.3233 249.6998 -203658.1470 2734.0081 0.0000 0.0000 52228.3211 -109522.4163 300.1569 -161750.7375 -109161.8943 299.8196 240.0854 274.9533 759438.1968 13.9425 14.0584 PRESSURE: 2826200 438.502 50.2685 66.6485 50.268 -76.2899 230.933 66.6486 230.933 345.464 GPRESSURE: 2826200 402.123 40.7898 162.921 28.5923 61.1991 263.527 98.5817 210.552 325.692 PRESSAVG: 2826200 12.7553 7.22377 -16.2727 7.22374 -72.9944 24.6748 -16.2728 24.6747 1.87444 GPRESSAVG: 2826200 13.706 6.88885 -16.7742 8.38866 -72.7959 23.2339 -15.2819 26.0266 0.341185 TIMING: 2826200 CPU: 9003.26, 0.00314376/step Wall: 9003.26, 0.00314376/step, 1.89831 hours remaining, 234.289062 MB of memory in use. ENERGY: 2826200 4057.3047 20484.4998 14392.7192 264.8507 -203427.2665 2598.6019 0.0000 0.0000 52099.6096 -109529.6806 299.4172 -161629.2902 -109163.8658 299.2997 235.8922 263.0046 760973.3405 -19.4549 -19.5829 PRESSURE: 2826400 -19.0387 -274.787 -136.451 -274.788 -107.289 49.5737 -136.451 49.5742 154.023 GPRESSURE: 2826400 -60.4698 -319.534 -180.111 -288.594 -56.8599 22.3879 -117.497 65.351 229.305 PRESSAVG: 2826400 2.32406 -73.4554 -41.3585 -73.4554 2.02588 3.05994 -41.3586 3.06001 0.78828 GPRESSAVG: 2826400 0.552802 -71.7202 -39.154 -74.4122 3.38751 4.31242 -42.232 0.141904 0.986907 TIMING: 2826400 CPU: 9003.9, 0.00317349/step Wall: 9003.9, 0.00317349/step, 1.91608 hours remaining, 234.289062 MB of memory in use. ENERGY: 2826400 3916.9150 20528.8294 14385.2136 247.8292 -203004.7900 2269.5116 0.0000 0.0000 52207.0919 -109449.3992 300.0349 -161656.4911 -109085.7137 299.8043 9.2318 37.3249 761584.3627 1.7127 1.6424 PRESSURE: 2826600 -17.9456 -77.0688 -75.8613 -77.0694 115.046 -244.345 -75.8608 -244.345 136.354 GPRESSURE: 2826600 10.611 -182.56 -166.462 -100.709 134.092 -222.727 -22.6881 -137.754 174.709 PRESSAVG: 2826600 6.17489 10.0413 55.8265 10.0413 -26.5004 80.3842 55.8265 80.3841 3.41313 GPRESSAVG: 2826600 8.659 8.52806 54.3754 7.47086 -27.9619 80.026 56.4915 82.5167 2.83105 TIMING: 2826600 CPU: 9004.53, 0.0031291/step Wall: 9004.53, 0.0031291/step, 1.88911 hours remaining, 234.289062 MB of memory in use. ENERGY: 2826600 3991.2020 20449.2702 14447.3269 240.1536 -202968.0345 2334.1452 0.0000 0.0000 52095.3082 -109410.6283 299.3925 -161505.9365 -109054.6580 299.6221 77.8181 106.4709 759438.6051 -5.6374 -5.4906 PRESSURE: 2826800 197.001 -78.5318 -223.706 -78.5324 4.63328 120.408 -223.706 120.408 -168.838 GPRESSURE: 2826800 214.731 37.262 -190.887 -36.0584 38.7928 69.2127 -315.137 106.477 -137.817 PRESSAVG: 2826800 -21.1418 -47.1141 8.14015 -47.1141 -24.4095 22.2587 8.14009 22.2588 -1.20761 GPRESSAVG: 2826800 -21.8034 -45.3264 7.90739 -45.088 -24.3921 21.5775 10.2961 21.5812 -0.243392 TIMING: 2826800 CPU: 9005.15, 0.00313685/step Wall: 9005.15, 0.00313685/step, 1.89361 hours remaining, 234.289062 MB of memory in use. ENERGY: 2826800 3998.8187 20570.1005 14398.3293 235.4047 -203194.4294 2439.3258 0.0000 0.0000 52063.8498 -109488.6004 299.2117 -161552.4502 -109124.5567 299.5838 10.9320 38.5689 758525.2714 -15.5863 -15.4797 PRESSURE: 2827000 -143.844 -132.276 222.668 -132.275 -213.63 -15.3653 222.667 -15.365 -113.228 GPRESSURE: 2827000 -77.64 -156.955 135.938 -108.38 -146.23 -75.031 229.134 75.4902 -166.357 PRESSAVG: 2827000 21.8051 11.6048 -8.49724 11.6048 4.4292 20.4555 -8.49728 20.4554 9.57116 GPRESSAVG: 2827000 21.9304 8.97403 -8.03612 12.6563 4.787 22.3326 -10.6144 19.3845 9.44798 TIMING: 2827000 CPU: 9005.78, 0.0031313/step Wall: 9005.78, 0.0031313/step, 1.89009 hours remaining, 234.289062 MB of memory in use. ENERGY: 2827000 3957.9257 20573.7842 14474.2017 251.2956 -203411.2040 2586.9962 0.0000 0.0000 52058.3961 -109508.6045 299.1803 -161567.0007 -109149.6649 299.5257 -156.9007 -130.0760 759898.1422 11.9351 12.0551 PRESSURE: 2827200 -107.805 43.6602 30.1413 43.6604 -182.779 14.6532 30.1408 14.6525 -410.833 GPRESSURE: 2827200 -50.0439 121.97 67.5282 31.0701 -152.581 65.4536 6.69747 -45.746 -420.031 PRESSAVG: 2827200 5.77786 41.0108 -42.3328 41.0108 -16.5386 -15.6642 -42.3328 -15.6642 13.5697 GPRESSAVG: 2827200 7.12862 42.697 -42.004 39.55 -17.4836 -16.398 -41.2431 -12.8914 13.0399 TIMING: 2827200 CPU: 9006.41, 0.00314611/step Wall: 9006.41, 0.00314611/step, 1.89885 hours remaining, 234.289062 MB of memory in use. ENERGY: 2827200 4051.8626 20443.3725 14460.4046 250.8697 -203561.6506 2555.9480 0.0000 0.0000 52150.7660 -109648.4274 299.7112 -161799.1933 -109286.7858 299.2564 -233.8054 -207.5519 761184.6825 0.9363 0.8950 PRESSURE: 2827400 158.857 108.855 -25.4017 108.855 143.305 -49.7687 -25.4014 -49.7689 -232.937 GPRESSURE: 2827400 200.814 140.442 0.686329 59.3746 160.648 66.3332 49.423 -23.4454 -200.983 PRESSAVG: 2827400 -3.36601 18.8397 0.756694 18.8397 14.4826 32.7691 0.756577 32.7692 9.71505 GPRESSAVG: 2827400 -5.28005 17.1509 2.44293 19.3654 16.4942 32.5376 0.768391 29.9756 9.89195 TIMING: 2827400 CPU: 9007.04, 0.00313467/step Wall: 9007.04, 0.00313467/step, 1.89177 hours remaining, 234.289062 MB of memory in use. ENERGY: 2827400 3901.1144 20606.4135 14389.7202 240.1441 -203754.1331 2863.9485 0.0000 0.0000 52157.7497 -109595.0427 299.7513 -161752.7924 -109231.7870 299.2574 23.0751 53.4931 760969.6497 6.9439 7.0354 PRESSURE: 2827600 43.628 -48.5797 75.9846 -48.5805 -207.945 -116.423 75.9839 -116.424 -155.688 GPRESSURE: 2827600 106.877 -31.144 95.2345 -54.134 -236.234 -179.834 86.172 -81.9197 -93.1247 PRESSAVG: 2827600 5.49752 4.0351 43.5415 4.03503 -27.9523 -32.8774 43.5415 -32.8774 -8.7105 GPRESSAVG: 2827600 8.72344 4.61586 41.409 5.37086 -29.024 -32.4144 42.8306 -29.3356 -10.0975 TIMING: 2827600 CPU: 9007.66, 0.00313159/step Wall: 9007.66, 0.00313159/step, 1.88974 hours remaining, 234.289062 MB of memory in use. ENERGY: 2827600 3934.1563 20557.2743 14388.4976 248.8796 -203241.0860 2293.1117 0.0000 0.0000 52144.3595 -109674.8070 299.6744 -161819.1665 -109317.6524 299.1652 -106.6682 -74.1606 761903.0630 -10.3884 -10.1327 PRESSURE: 2827800 -313.31 -115.229 205.127 -115.229 -251.331 96.3207 205.127 96.3208 -241.339 GPRESSURE: 2827800 -268.703 -75.8896 174.18 -25.9278 -161.08 156.835 90.8658 193.727 -278.819 PRESSAVG: 2827800 0.0747946 -14.6022 54.5449 -14.6024 -19.2662 26.0036 54.5449 26.0037 -5.83347 GPRESSAVG: 2827800 -1.82398 -15.1224 54.6827 -15.8147 -19.4288 25.6117 55.3444 24.0693 -3.70524 TIMING: 2827800 CPU: 9008.29, 0.0031233/step Wall: 9008.29, 0.0031233/step, 1.88456 hours remaining, 234.289062 MB of memory in use. ENERGY: 2827800 4022.2682 20398.8931 14401.0799 250.4732 -203249.9197 2382.0925 0.0000 0.0000 51957.6009 -109837.5119 298.6010 -161795.1128 -109469.3908 298.4416 -268.6602 -236.2006 761620.0537 -8.3416 -8.3193 PRESSURE: 2828000 -132.331 -105.075 -179.065 -105.076 234.002 -168.446 -179.065 -168.447 173.432 GPRESSURE: 2828000 -69.3264 -11.5023 -163.842 -47.503 183.48 -112.037 -79.1498 -129.213 222.273 PRESSAVG: 2828000 23.908 11.2603 41.4963 11.2604 -30.7031 29.2657 41.4964 29.2656 14.4426 GPRESSAVG: 2828000 24.4314 13.3098 42.4577 12.477 -31.4639 29.2399 40.8983 29.5782 14.8042 TIMING: 2828000 CPU: 9008.92, 0.00314618/step Wall: 9008.92, 0.00314618/step, 1.89819 hours remaining, 234.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2828000 3938.8045 20569.4818 14436.0192 252.9769 -203143.6192 2225.3656 0.0000 0.0000 51928.2171 -109792.7541 298.4322 -161720.9711 -109434.4011 298.7987 91.7012 112.1419 761980.8327 2.5492 2.5906 PRESSURE: 2828200 397.362 -138.141 62.7821 -138.142 155.712 -103.207 62.7818 -103.208 312.248 GPRESSURE: 2828200 422.315 -86.0527 83.0495 -43.082 191.387 -77.0767 -25.3221 -118.839 342.347 PRESSAVG: 2828200 13.4214 18.1721 -28.937 18.1721 -6.18156 -15.2115 -28.937 -15.2115 30.6293 GPRESSAVG: 2828200 13.5223 16.576 -29.6938 18.315 -5.46911 -15.3555 -30.0894 -15.6356 30.0491 TIMING: 2828200 CPU: 9009.54, 0.00313832/step Wall: 9009.54, 0.00313832/step, 1.89328 hours remaining, 234.289062 MB of memory in use. ENERGY: 2828200 3856.8826 20328.5914 14385.8085 251.9465 -203430.2969 2618.1254 0.0000 0.0000 52324.8505 -109664.0919 300.7116 -161988.9424 -109303.1233 298.6456 288.4410 318.6828 760223.8498 12.6231 12.7008 LDB: ============= START OF LOAD BALANCING ============== 9021.96 LDB: ============== END OF LOAD BALANCING =============== 9021.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9021.96 LDB: ============= START OF LOAD BALANCING ============== 9022.28 LDB: Largest compute 7067 load 0.032601 is 16.7% of average load 0.195495 LDB: Average compute 0.004401 is 2.3% of average load 0.195495 LDB: TIME 9022.28 LOAD: AVG 0.195495 MAX 0.21847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.355 MB LDB: TIME 9022.28 LOAD: AVG 0.195495 MAX 0.21847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: TIME 9022.28 LOAD: AVG 0.195495 MAX 0.216353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: ============== END OF LOAD BALANCING =============== 9022.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9022.29 PRESSURE: 2828400 177.979 -218.115 93.4112 -218.115 -43.7591 22.9101 93.4115 22.9094 -298.078 GPRESSURE: 2828400 103.15 -169.773 111.1 -217.67 14.7922 27.9874 25.4515 33.0241 -173.445 PRESSAVG: 2828400 30.2335 -17.2349 -6.80772 -17.2349 -43.4859 -12.5833 -6.80774 -12.5834 13.2386 GPRESSAVG: 2828400 29.5322 -18.0294 -8.43311 -18.075 -43.8368 -11.6988 -5.7148 -13.0421 15.0729 TIMING: 2828400 CPU: 9010.18, 0.00319493/step Wall: 9010.18, 0.00319493/step, 1.92725 hours remaining, 233.101562 MB of memory in use. ENERGY: 2828400 3953.9862 20486.6336 14425.5973 244.0196 -203420.5247 2532.3803 0.0000 0.0000 52315.7086 -109462.1989 300.6591 -161777.9076 -109107.0702 299.5384 -54.6193 -18.5009 760526.4982 -0.0046 0.2561 PRESSURE: 2828600 -65.142 187.22 25.9615 187.22 -199.414 19.552 25.961 19.5533 -263.15 GPRESSURE: 2828600 -37.8588 91.0356 101.079 154.21 -128.104 88.2586 -26.8999 151.785 -287.792 PRESSAVG: 2828600 19.4026 -30.0666 -20.762 -30.0665 -20.5367 -10.518 -20.7619 -10.5181 -0.785332 GPRESSAVG: 2828600 19.3758 -30.0116 -18.6603 -29.518 -20.5226 -9.69309 -20.9885 -11.5297 -1.39859 TIMING: 2828600 CPU: 9010.81, 0.0031378/step Wall: 9010.81, 0.0031378/step, 1.89261 hours remaining, 233.101562 MB of memory in use. ENERGY: 2828600 4035.1304 20438.2592 14447.1653 259.8454 -203069.9514 2239.5067 0.0000 0.0000 52276.6564 -109373.3881 300.4347 -161650.0445 -109001.9805 299.9844 -175.9019 -151.2518 762426.1236 -0.6398 -0.8485 PRESSURE: 2828800 146.111 -11.6974 80.2263 -11.6976 69.5493 164.284 80.2259 164.284 -310.825 GPRESSURE: 2828800 62.6539 50.8385 -1.08273 -8.10028 155.177 23.0728 36.1645 128.971 -220.237 PRESSAVG: 2828800 13.7036 -51.6881 -5.84125 -51.6881 5.725 11.2699 -5.84126 11.27 -15.7586 GPRESSAVG: 2828800 13.3386 -50.5125 -6.77924 -52.094 5.34336 10.2097 -5.94663 11.7975 -15.2412 TIMING: 2828800 CPU: 9011.44, 0.00312949/step Wall: 9011.44, 0.00312949/step, 1.88743 hours remaining, 233.101562 MB of memory in use. ENERGY: 2828800 3961.7373 20574.7615 14449.5936 252.1670 -203235.0439 2462.4899 0.0000 0.0000 52097.6732 -109436.6214 299.4060 -161534.2946 -109077.9250 300.1068 -31.7218 -0.8020 760099.4521 1.2233 1.1469 PRESSURE: 2829000 -380.213 -36.0902 -42.7251 -36.0908 -188.112 -16.6313 -42.7246 -16.6313 -82.6243 GPRESSURE: 2829000 -370.589 1.72936 -43.5795 -106.404 -164.45 7.40815 120.028 45.1407 -31.1618 PRESSAVG: 2829000 50.544 -30.5998 -36.1059 -30.5998 -86.3154 46.5088 -36.1059 46.5089 5.32098 GPRESSAVG: 2829000 50.5024 -31.2018 -35.6384 -31.5386 -85.4083 45.966 -35.0636 48.0195 4.53567 TIMING: 2829000 CPU: 9012.06, 0.00312628/step Wall: 9012.06, 0.00312628/step, 1.88532 hours remaining, 233.101562 MB of memory in use. ENERGY: 2829000 4112.3605 20580.0390 14417.6507 249.0842 -203311.5638 2491.2523 0.0000 0.0000 51903.9210 -109557.2561 298.2925 -161461.1771 -109203.3478 299.5945 -216.9832 -188.7339 761228.4460 -10.1502 -10.1234 PRESSURE: 2829200 -301.282 1.16099 21.031 1.16086 -393.855 307.185 21.0312 307.185 -162.123 GPRESSURE: 2829200 -209.041 -24.6814 55.652 -49.7121 -342.184 194.77 -124.408 205.882 -223.77 PRESSAVG: 2829200 3.90941 -41.3368 -62.5793 -41.3368 0.542979 29.5136 -62.5793 29.5137 1.81355 GPRESSAVG: 2829200 5.1369 -42.2044 -63.5566 -40.1187 0.809299 29.1303 -63.1665 29.4066 0.494023 TIMING: 2829200 CPU: 9012.69, 0.00313899/step Wall: 9012.69, 0.00313899/step, 1.89281 hours remaining, 233.304688 MB of memory in use. ENERGY: 2829200 3967.1374 20528.4169 14393.9215 227.3311 -202758.4260 2069.3757 0.0000 0.0000 51915.6430 -109656.6004 298.3599 -161572.2434 -109297.3604 299.4440 -285.7534 -258.3317 762634.3855 2.0886 2.1467 PRESSURE: 2829400 -172.218 41.3322 144.776 41.3319 133.947 49.4424 144.776 49.4431 87.8903 GPRESSURE: 2829400 -107.004 -15.1996 29.3208 68.8854 72.77 84.2446 254.686 -37.0094 165.691 PRESSAVG: 2829400 47.7416 -84.3003 -17.6629 -84.3002 -57.3568 -5.38446 -17.6629 -5.3845 -3.6412 GPRESSAVG: 2829400 46.4391 -85.4754 -16.4344 -84.4087 -58.3067 -4.28747 -18.1233 -7.70445 -1.49765 TIMING: 2829400 CPU: 9013.31, 0.00312247/step Wall: 9013.31, 0.00312247/step, 1.88267 hours remaining, 233.304688 MB of memory in use. ENERGY: 2829400 4022.8038 20584.4896 14411.8843 257.8393 -203690.1919 2645.9887 0.0000 0.0000 52109.1449 -109658.0414 299.4720 -161767.1862 -109282.9307 298.8524 16.5398 43.8189 760557.7790 -4.4188 -4.4551 PRESSURE: 2829600 47.2209 -155.434 -113.136 -155.435 27.7558 -144.385 -113.135 -144.385 -329.979 GPRESSURE: 2829600 69.5473 -201.108 -162.23 -59.9415 39.2078 -28.9708 -151.959 -146.303 -276.308 PRESSAVG: 2829600 27.0585 -25.7947 -27.8038 -25.7947 -51.0839 -24.1455 -27.8038 -24.1455 8.30876 GPRESSAVG: 2829600 27.9999 -24.7198 -27.0514 -25.6913 -50.2625 -26.276 -27.6763 -22.9068 6.48793 TIMING: 2829600 CPU: 9013.94, 0.00313325/step Wall: 9013.94, 0.00313325/step, 1.889 hours remaining, 233.304688 MB of memory in use. ENERGY: 2829600 3911.8147 20637.4160 14457.0923 246.1721 -203472.8473 2565.1240 0.0000 0.0000 51883.7649 -109771.4632 298.1767 -161655.2281 -109417.2617 298.8700 -85.0006 -55.8511 761235.8020 -5.2389 -5.2582 PRESSURE: 2829800 -80.0996 29.9516 55.1871 29.9505 -299.009 47.1432 55.1874 47.1427 -85.6162 GPRESSURE: 2829800 -132.524 162.47 136.378 -76.9389 -144.049 -78.0184 87.2582 48.6926 -101.701 PRESSAVG: 2829800 84.0075 -16.8193 -8.78972 -16.8194 -38.8668 -10.2146 -8.78971 -10.2147 19.3731 GPRESSAVG: 2829800 84.1863 -15.783 -8.37573 -17.1401 -38.6833 -8.99751 -8.70693 -9.34588 19.1967 TIMING: 2829800 CPU: 9014.57, 0.00314679/step Wall: 9014.57, 0.00314679/step, 1.89699 hours remaining, 233.304688 MB of memory in use. ENERGY: 2829800 3988.4494 20444.4845 14498.7266 241.9844 -203265.0599 2364.2826 0.0000 0.0000 52010.8904 -109716.2419 298.9073 -161727.1324 -109356.0195 298.9962 -154.9082 -126.0909 760413.8319 21.5046 21.5666 PRESSURE: 2830000 -111.166 -58.142 85.6418 -58.1424 -193.918 -361.226 85.6413 -361.226 356.093 GPRESSURE: 2830000 -52.372 -13.4841 65.2835 -59.8713 -135.492 -292.271 75.0437 -340.414 306.057 PRESSAVG: 2830000 20.0073 16.6979 32.5024 16.6979 -39.8376 -48.4131 32.5023 -48.4132 -2.98034 GPRESSAVG: 2830000 18.5272 15.9494 32.4838 15.9619 -40.1676 -46.5779 31.4942 -49.2878 -0.915641 TIMING: 2830000 CPU: 9015.2, 0.00313637/step Wall: 9015.2, 0.00313638/step, 1.89054 hours remaining, 233.304688 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: 2830000 4000.8899 20461.3272 14425.6477 237.3147 -203479.3990 2566.9912 0.0000 0.0000 52081.1827 -109706.0455 299.3113 -161787.2283 -109355.1352 298.9023 17.0033 39.3975 760062.1750 -7.6036 -7.5187 PRESSURE: 2830200 -201.463 -130.335 -92.1197 -130.334 79.6088 134.421 -92.1208 134.421 -183.268 GPRESSURE: 2830200 -165.678 -72.5678 -159.108 -0.57224 113.476 222.895 -43.5849 37.8984 -170.554 PRESSAVG: 2830200 30.3446 -17.2643 0.713595 -17.2644 6.18679 -44.2183 0.713537 -44.2182 -6.50772 GPRESSAVG: 2830200 32.1426 -16.0399 -0.999019 -18.0014 6.32411 -45.0522 2.10106 -44.8304 -8.66929 TIMING: 2830200 CPU: 9015.83, 0.00315806/step Wall: 9015.83, 0.00315806/step, 1.90343 hours remaining, 233.507812 MB of memory in use. ENERGY: 2830200 4022.5524 20547.1582 14476.4100 241.2055 -203596.9168 2770.7530 0.0000 0.0000 51871.8593 -109666.9785 298.1083 -161538.8378 -109302.0321 299.0882 -101.7074 -74.2519 762352.6807 10.0079 9.9325 PRESSURE: 2830400 -20.0826 -123.871 -180.117 -123.871 -134.572 168.573 -180.117 168.575 20.7913 GPRESSURE: 2830400 -10.3177 -90.9794 -179.774 -171.987 -88.4281 223.582 -104.242 45.1963 59.8745 PRESSAVG: 2830400 27.7277 -7.29414 35.283 -7.29411 -10.7307 -13.9512 35.283 -13.9512 6.07625 GPRESSAVG: 2830400 26.8084 -7.92671 35.51 -5.55393 -9.48561 -13.3694 34.175 -14.6204 6.47222 TIMING: 2830400 CPU: 9016.46, 0.00313538/step Wall: 9016.46, 0.00313538/step, 1.88959 hours remaining, 233.507812 MB of memory in use. ENERGY: 2830400 3910.2460 20588.6610 14408.7107 246.4074 -203434.8778 2565.0977 0.0000 0.0000 51979.4866 -109736.2685 298.7268 -161715.7551 -109367.4081 298.9102 -44.6211 -12.9571 759886.4975 7.6911 7.9317 PRESSURE: 2830600 106.813 204.377 67.526 204.378 27.8085 -234.1 67.5255 -234.101 -77.4239 GPRESSURE: 2830600 140.809 242.385 109.467 114.651 60.9087 -198.39 16.6075 -71.0289 -48.7837 PRESSAVG: 2830600 41.1705 -64.3954 -18.5209 -64.3955 -43.7794 -58.2024 -18.5209 -58.2024 2.16515 GPRESSAVG: 2830600 40.9017 -65.8133 -18.2041 -64.3784 -44.8471 -59.3781 -17.2992 -57.7304 2.67913 TIMING: 2830600 CPU: 9017.08, 0.00313411/step Wall: 9017.08, 0.00313411/step, 1.88865 hours remaining, 233.507812 MB of memory in use. ENERGY: 2830600 4036.3158 20624.1755 14448.0347 233.7369 -203560.1574 2660.0474 0.0000 0.0000 51858.8629 -109698.9841 298.0336 -161557.8470 -109347.1637 298.6814 19.0660 50.9780 761038.2028 -0.1479 -0.4221 PRESSURE: 2830800 -209.993 -283.943 -79.4836 -283.944 -362.164 39.1676 -79.4831 39.1681 -24.1573 GPRESSURE: 2830800 -93.9193 -242.54 -128.218 -175.034 -341.846 7.59843 -72.3999 38.0006 -51.5347 PRESSAVG: 2830800 11.7227 -2.18906 -47.5511 -2.18909 5.38522 15.6641 -47.551 15.6641 5.32352 GPRESSAVG: 2830800 11.437 -1.9752 -47.4279 -3.61615 7.75706 14.1925 -47.777 18.0801 3.86312 TIMING: 2830800 CPU: 9017.71, 0.00313186/step Wall: 9017.71, 0.00313186/step, 1.88712 hours remaining, 233.507812 MB of memory in use. ENERGY: 2830800 3976.0473 20490.8419 14434.9083 242.6803 -203248.7449 2385.5650 0.0000 0.0000 51904.6611 -109814.0410 298.2968 -161718.7021 -109448.9804 298.6856 -198.7714 -162.4335 760185.9069 7.4771 7.6857 PRESSURE: 2831000 185.66 149.141 142.502 149.141 43.1133 -52.0007 142.502 -52.0008 -75.1548 GPRESSURE: 2831000 237.381 174.695 93.0962 53.687 59.4057 -103.392 62.2574 102.766 -66.101 PRESSAVG: 2831000 54.9358 22.1504 4.97244 22.1504 -19.766 -28.7235 4.97244 -28.7235 4.1005 GPRESSAVG: 2831000 57.2712 22.5218 3.39559 23.9744 -22.9533 -28.1515 5.55003 -28.7727 4.88813 TIMING: 2831000 CPU: 9018.33, 0.00312083/step Wall: 9018.33, 0.00312083/step, 1.8803 hours remaining, 233.507812 MB of memory in use. ENERGY: 2831000 4023.9775 20542.5263 14416.7348 246.8328 -203143.1162 2467.5179 0.0000 0.0000 51716.3389 -109729.1879 297.2145 -161445.5268 -109380.3002 298.7892 51.2063 76.8953 760792.4073 13.0901 13.0687 PRESSURE: 2831200 154.409 50.2745 48.7803 50.2742 151.754 -59.4918 48.7807 -59.4916 14.0012 GPRESSURE: 2831200 52.8783 1.99538 54.6383 -17.3205 290.488 -75.7087 -26.7218 35.32 35.0258 PRESSAVG: 2831200 12.2389 7.35014 -15.5241 7.35012 -10.2139 -43.4422 -15.5241 -43.4422 -9.49617 GPRESSAVG: 2831200 10.5836 6.57968 -15.4479 5.30017 -9.60076 -42.7311 -15.824 -46.2538 -8.86108 TIMING: 2831200 CPU: 9018.95, 0.0031072/step Wall: 9018.95, 0.0031072/step, 1.87192 hours remaining, 233.507812 MB of memory in use. ENERGY: 2831200 3942.6405 20628.7934 14444.0568 255.6590 -203378.1147 2541.4542 0.0000 0.0000 51785.7884 -109779.7226 297.6136 -161565.5109 -109420.3968 298.4174 106.7213 126.1307 760766.9977 -2.4904 -2.6261 PRESSURE: 2831400 280.266 81.095 -8.79608 81.0946 24.2273 -42.7317 -8.79614 -42.7316 319.89 GPRESSURE: 2831400 361.314 143.734 28.1002 28.6568 56.2836 -2.34578 -58.1025 -55.8771 311.938 PRESSAVG: 2831400 30.4955 9.52243 -35.6798 9.52242 -21.0657 -39.6204 -35.6798 -39.6203 -1.44667 GPRESSAVG: 2831400 31.788 10.7221 -34.6262 8.62783 -21.4011 -40.0197 -36.8549 -39.8041 -1.7968 TIMING: 2831400 CPU: 9019.58, 0.00312522/step Wall: 9019.58, 0.00312522/step, 1.8826 hours remaining, 233.507812 MB of memory in use. ENERGY: 2831400 3857.2200 20350.1505 14433.3053 237.6858 -203237.1368 2594.1535 0.0000 0.0000 51931.5819 -109833.0397 298.4515 -161764.6216 -109476.8389 298.5012 208.1276 243.1787 760947.2718 2.6610 2.8634 PRESSURE: 2831600 209.434 87.1283 -117.261 87.1292 -121.554 -195.732 -117.26 -195.732 -76.5066 GPRESSURE: 2831600 176.993 72.8429 -128.531 105.111 -22.5381 -140.916 -79.7434 -35.0815 -68.4163 PRESSAVG: 2831600 42.4394 5.81872 -51.8033 5.81874 -107.641 11.7774 -51.8033 11.7773 13.3885 GPRESSAVG: 2831600 41.0727 4.77994 -52.2807 6.56555 -106.454 10.8556 -49.6812 13.4959 13.5926 TIMING: 2831600 CPU: 9020.21, 0.00314368/step Wall: 9020.21, 0.00314368/step, 1.89354 hours remaining, 233.507812 MB of memory in use. ENERGY: 2831600 3929.9659 20339.2238 14460.3070 235.1989 -203440.1622 2484.5045 0.0000 0.0000 52073.8586 -109917.1035 299.2692 -161990.9621 -109553.1014 298.3334 3.7911 28.6796 761056.2161 -17.2711 -17.2628 PRESSURE: 2831800 -99.2618 -4.03385 -235.138 -4.03404 -341.389 28.5658 -235.138 28.566 -195.778 GPRESSURE: 2831800 -73.8139 69.864 -174.737 31.4254 -351.943 -8.56719 -329.419 43.0382 -146.212 PRESSAVG: 2831800 34.671 -57.3687 5.51231 -57.3686 -37.5622 22.4313 5.51236 22.4314 -2.04703 GPRESSAVG: 2831800 36.8325 -55.8963 6.26731 -56.9069 -38.3525 23.1441 3.57336 22.9992 -3.57743 TIMING: 2831800 CPU: 9020.84, 0.00314255/step Wall: 9020.84, 0.00314255/step, 1.89269 hours remaining, 233.507812 MB of memory in use. ENERGY: 2831800 4025.5689 20402.5570 14414.6100 220.7917 -203036.9252 2184.9862 0.0000 0.0000 51962.1110 -109826.3005 298.6270 -161788.4115 -109473.1882 298.2163 -212.1430 -190.6562 760820.8740 -1.6461 -1.6992 PRESSURE: 2832000 -105.177 -206.875 80.9534 -206.875 -484.621 -274.078 80.9531 -274.078 -189.771 GPRESSURE: 2832000 -85.4889 -230.846 22.3293 -140.114 -418.682 -179.36 96.2765 -302.993 -179.593 PRESSAVG: 2832000 106.538 -41.8486 23.918 -41.8487 -71.6111 -7.45685 23.918 -7.45689 3.00559 GPRESSAVG: 2832000 105.931 -41.6416 24.6492 -42.478 -72.3929 -6.80304 24.4346 -7.9852 3.57744 TIMING: 2832000 CPU: 9021.46, 0.00312469/step Wall: 9021.46, 0.00312469/step, 1.88176 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2832000 3946.6420 20326.7650 14457.4066 257.0804 -202835.2123 2232.4463 0.0000 0.0000 51822.4074 -109792.4646 297.8241 -161614.8720 -109430.2540 297.7380 -259.8565 -227.9211 760826.9197 12.6440 12.3720 PRESSURE: 2832200 -51.0901 -133.528 -63.2131 -133.528 334.356 143.638 -63.2137 143.638 404.778 GPRESSURE: 2832200 23.6219 -138.313 -12.2169 -167.78 305.504 172.635 -83.3353 30.3071 464.82 PRESSAVG: 2832200 20.5428 -30.4736 -5.44317 -30.4736 -28.2985 -7.52491 -5.44322 -7.52486 -16.4378 GPRESSAVG: 2832200 20.3665 -30.4328 -5.97954 -29.0778 -28.0055 -6.21576 -4.43039 -9.02374 -16.5168 TIMING: 2832200 CPU: 9022.08, 0.00310449/step Wall: 9022.08, 0.00310449/step, 1.86942 hours remaining, 233.507812 MB of memory in use. ENERGY: 2832200 3887.0872 20405.5935 14410.5327 247.9107 -203241.9027 2480.8269 0.0000 0.0000 52031.3207 -109778.6312 299.0247 -161809.9519 -109415.9974 298.1265 229.3479 264.6486 759801.1167 -8.0645 -8.0519 LDB: ============= START OF LOAD BALANCING ============== 9034.5 LDB: ============== END OF LOAD BALANCING =============== 9034.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9034.5 LDB: ============= START OF LOAD BALANCING ============== 9034.81 LDB: Largest compute 7025 load 0.035648 is 18.2% of average load 0.195537 LDB: Average compute 0.004385 is 2.2% of average load 0.195537 LDB: TIME 9034.82 LOAD: AVG 0.195537 MAX 0.218329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 9034.82 LOAD: AVG 0.195537 MAX 0.218329 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.914 MB LDB: TIME 9034.82 LOAD: AVG 0.195537 MAX 0.21651 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.914 MB LDB: ============== END OF LOAD BALANCING =============== 9034.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9034.83 PRESSURE: 2832400 283.635 40.0752 -212.396 40.0744 165.727 53.9025 -212.396 53.9027 45.8253 GPRESSURE: 2832400 303.322 -82.196 -227.595 7.62282 180.185 57.5339 -264.006 46.9947 87.4356 PRESSAVG: 2832400 60.1926 -49.7526 -27.0534 -49.7526 -64.9491 58.1811 -27.0534 58.1811 -1.31806 GPRESSAVG: 2832400 59.9326 -51.0406 -27.408 -50.7449 -65.0804 57.1951 -28.104 58.3371 -0.943336 TIMING: 2832400 CPU: 9022.72, 0.00318979/step Wall: 9022.72, 0.00318979/step, 1.92061 hours remaining, 233.550781 MB of memory in use. ENERGY: 2832400 3982.1000 20246.6459 14479.6768 250.6314 -202975.1496 2545.5672 0.0000 0.0000 51891.6275 -109578.9008 298.2219 -161470.5283 -109220.7570 298.1384 165.0623 190.3142 760210.5750 -2.0249 -2.0304 PRESSURE: 2832600 -120.803 -14.7211 -167.34 -14.7209 437.488 -165.545 -167.341 -165.545 9.7982 GPRESSURE: 2832600 42.6503 -45.7727 -199.289 68.608 464.551 -208.105 -238.465 -57.1196 -98.0002 PRESSAVG: 2832600 43.485 8.48512 31.4227 8.48511 19.7125 7.09022 31.4227 7.09025 -13.4208 GPRESSAVG: 2832600 43.015 9.07221 32.6007 8.82997 19.9944 6.94505 31.6169 5.83177 -13.252 TIMING: 2832600 CPU: 9023.34, 0.00311384/step Wall: 9023.34, 0.00311384/step, 1.8747 hours remaining, 233.621094 MB of memory in use. ENERGY: 2832600 3968.8721 20389.5988 14507.7410 228.5528 -203322.5274 2408.9187 0.0000 0.0000 52200.7774 -109618.0666 299.9986 -161818.8440 -109256.2835 298.7425 108.8277 136.4002 759568.5417 16.5922 16.5858 PRESSURE: 2832800 58.8135 76.0986 -22.0161 76.0985 -15.3504 50.2495 -22.016 50.2493 -366.835 GPRESSURE: 2832800 1.80751 21.472 -79.5553 98.728 22.3632 -33.6456 54.3148 -18.0452 -255.141 PRESSAVG: 2832800 48.4535 17.1576 56.0586 17.1576 -35.1824 -10.2214 56.0585 -10.2214 20.8864 GPRESSAVG: 2832800 48.5072 18.1253 55.0889 17.6427 -34.6309 -12.1894 56.9696 -8.25967 21.2926 TIMING: 2832800 CPU: 9023.97, 0.00312195/step Wall: 9023.97, 0.00312195/step, 1.87941 hours remaining, 233.621094 MB of memory in use. ENERGY: 2832800 3956.8873 20422.2439 14460.9958 218.0287 -203019.1987 2285.5804 0.0000 0.0000 51961.4916 -109713.9711 298.6234 -161675.4627 -109360.1890 299.0001 -107.7907 -76.9902 758680.0773 11.3858 11.7230 PRESSURE: 2833000 -317.536 -60.5287 146.08 -60.5295 159.328 -197.708 146.08 -197.708 -191.038 GPRESSURE: 2833000 -276.846 -29.4344 217.035 -49.4496 243.377 -171.251 3.85511 -69.4644 -226.273 PRESSAVG: 2833000 17.0576 -56.4928 -17.3396 -56.4929 17.1876 9.0764 -17.3396 9.07652 -10.5784 GPRESSAVG: 2833000 18.5122 -58.7546 -16.4043 -55.3923 17.2122 9.48477 -19.5878 8.88093 -12.305 TIMING: 2833000 CPU: 9024.59, 0.00312409/step Wall: 9024.59, 0.00312409/step, 1.88053 hours remaining, 233.746094 MB of memory in use. ENERGY: 2833000 3961.8338 20365.4285 14546.9833 229.0796 -203443.4087 2420.1202 0.0000 0.0000 52110.8615 -109809.1017 299.4818 -161919.9633 -109443.0402 298.8140 -116.4152 -86.5808 758739.4934 7.8889 7.8065 PRESSURE: 2833200 -52.9789 -135.988 -169.527 -135.987 50.2733 84.1419 -169.528 84.1427 -40.2138 GPRESSURE: 2833200 13.4712 -52.2578 -146.834 -126.5 87.8346 110.816 -117.085 207.647 -48.7509 PRESSAVG: 2833200 25.0023 -59.6923 -3.50772 -59.6923 -3.01173 -5.15667 -3.50768 -5.15661 26.9599 GPRESSAVG: 2833200 24.2333 -59.6536 -2.75112 -60.1464 -3.78222 -4.99735 -3.87374 -3.99614 28.8314 TIMING: 2833200 CPU: 9025.22, 0.00314593/step Wall: 9025.22, 0.00314593/step, 1.8935 hours remaining, 233.746094 MB of memory in use. ENERGY: 2833200 3994.2032 20484.2966 14465.9692 247.4786 -203379.8251 2484.2159 0.0000 0.0000 51944.9229 -109758.7388 298.5282 -161703.6617 -109405.0005 299.0401 -14.3065 17.5183 761004.0816 16.3168 16.4275 PRESSURE: 2833400 112.633 -0.236143 221.985 -0.236333 -144.251 48.7675 221.984 48.7676 327.004 GPRESSURE: 2833400 99.6902 -8.08239 213.97 27.2273 -82.2023 44.4024 185.984 10.7627 341.985 PRESSAVG: 2833400 -36.0972 -35.5101 33.3505 -35.5102 -23.1629 -31.8151 33.3504 -31.8151 -15.2717 GPRESSAVG: 2833400 -36.0609 -35.3905 30.9562 -34.8112 -23.276 -31.097 33.7371 -32.5362 -15.1709 TIMING: 2833400 CPU: 9025.85, 0.00313224/step Wall: 9025.85, 0.00313224/step, 1.88509 hours remaining, 233.746094 MB of memory in use. ENERGY: 2833400 3936.6019 20463.5593 14429.1298 240.5997 -203543.6904 2631.1331 0.0000 0.0000 51897.1556 -109945.5110 298.2537 -161842.6666 -109576.1422 298.5604 98.4622 119.8242 759773.9687 -24.8439 -24.8360 PRESSURE: 2833600 139.666 100.002 83.8288 100.002 79.8537 40.5575 83.8291 40.5585 70.7348 GPRESSURE: 2833600 137.882 139.104 135.907 -39.1847 203.237 -18.0899 24.5574 -23.4137 55.2442 PRESSAVG: 2833600 92.1127 -35.0675 27.3154 -35.0675 -91.6959 19.1346 27.3154 19.1345 3.89224 GPRESSAVG: 2833600 91.0319 -34.184 28.2056 -37.8503 -90.2839 18.8345 28.2809 18.7777 3.88625 TIMING: 2833600 CPU: 9026.47, 0.00313492/step Wall: 9026.47, 0.00313492/step, 1.88652 hours remaining, 233.746094 MB of memory in use. ENERGY: 2833600 3976.3054 20320.2721 14437.5627 223.9541 -203513.1945 2549.8650 0.0000 0.0000 51917.3531 -110087.8822 298.3697 -162005.2353 -109726.6156 297.8818 96.7517 132.1211 760280.0254 1.4363 1.5448 PRESSURE: 2833800 -226.469 -20.4666 -63.7346 -20.4667 252.421 69.378 -63.7353 69.378 154.058 GPRESSURE: 2833800 -207.041 -34.0972 -113.928 -0.840377 226.662 38.5787 -68.3284 102.726 255.829 PRESSAVG: 2833800 72.1985 -65.6348 2.8627 -65.6348 -47.1901 -38.9269 2.86275 -38.9269 -17.2283 GPRESSAVG: 2833800 72.5506 -66.9342 2.21654 -63.8924 -48.0092 -39.6375 3.05218 -38.298 -16.531 TIMING: 2833800 CPU: 9027.1, 0.00314341/step Wall: 9027.1, 0.00314341/step, 1.89146 hours remaining, 233.816406 MB of memory in use. ENERGY: 2833800 3940.7952 20434.3951 14478.1830 253.4050 -203319.2770 2418.7055 0.0000 0.0000 51597.1279 -110196.6654 296.5294 -161793.7933 -109842.5819 298.0738 60.0034 91.8169 761926.9581 2.5934 2.6702 PRESSURE: 2834000 195.772 20.0113 -4.17547 20.0122 -421.24 108.709 -4.17461 108.709 -75.065 GPRESSURE: 2834000 185.288 -23.96 -108.781 -12.1188 -282.513 34.2319 38.5313 64.9705 -114.588 PRESSAVG: 2834000 -6.6286 -38.7492 4.78782 -38.7492 17.8667 1.79239 4.78783 1.79242 9.57116 GPRESSAVG: 2834000 -7.08378 -36.6395 5.78819 -40.1915 19.9251 0.999649 3.58931 2.77615 8.54474 TIMING: 2834000 CPU: 9027.73, 0.00312984/step Wall: 9027.73, 0.00312984/step, 1.88312 hours remaining, 233.816406 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: 2834000 3935.6987 20490.1081 14519.0515 249.2523 -203406.0214 2336.7454 0.0000 0.0000 51967.4827 -109907.6826 298.6578 -161875.1654 -109549.5889 297.8872 -100.1775 -70.6042 761034.8294 6.9364 7.1287 PRESSURE: 2834200 -308.594 -54.7504 77.3848 -54.7511 -492.732 -120.485 77.385 -120.484 -189.509 GPRESSURE: 2834200 -374.472 -38.5359 -24.9223 -33.3904 -347.077 -216.124 94.9215 -221.331 -206.616 PRESSAVG: 2834200 19.4041 -78.542 60.1141 -78.542 -39.635 -57.9174 60.1141 -57.9174 -7.62103 GPRESSAVG: 2834200 20.4361 -78.1508 58.7902 -77.8343 -40.3683 -55.4232 61.8872 -60.5068 -7.86177 TIMING: 2834200 CPU: 9028.36, 0.00313771/step Wall: 9028.36, 0.00313771/step, 1.88768 hours remaining, 233.816406 MB of memory in use. ENERGY: 2834200 4022.3780 20460.7764 14564.9390 261.1293 -203619.3892 2574.6909 0.0000 0.0000 51988.0254 -109747.4502 298.7759 -161735.4756 -109390.1924 298.5796 -330.2782 -309.3881 761677.6767 -9.2840 -9.2646 PRESSURE: 2834400 82.4739 -54.0285 187.824 -54.028 252.526 -77.7657 187.824 -77.7656 215.211 GPRESSURE: 2834400 223.98 -77.5164 291.32 -59.4015 236.333 -108.944 201.584 69.7321 171.145 PRESSAVG: 2834400 9.53332 8.77469 59.4761 8.77475 -11.4434 -53.8062 59.4761 -53.8063 20.2244 GPRESSAVG: 2834400 9.49425 7.23848 61.8151 8.29501 -12.3346 -54.7034 57.646 -50.7742 21.6172 TIMING: 2834400 CPU: 9028.98, 0.00312493/step Wall: 9028.98, 0.00312493/step, 1.87982 hours remaining, 233.816406 MB of memory in use. ENERGY: 2834400 3939.3668 20554.6716 14500.4643 264.6969 -203424.2154 2528.3176 0.0000 0.0000 52050.6660 -109586.0323 299.1359 -161636.6983 -109228.6543 298.6241 183.4036 210.4859 760928.4845 6.1048 6.2589 PRESSURE: 2834600 -14.2556 -87.8366 -47.9046 -87.8365 -214.094 1.94893 -47.9049 1.94931 -355.423 GPRESSURE: 2834600 -89.8167 -30.8427 -47.9191 -17.0255 -173.051 40.2144 32.9228 -18.8851 -227.585 PRESSAVG: 2834600 38.4386 -67.0161 43.2678 -67.0161 -53.4173 -54.1654 43.2678 -54.1654 -11.7353 GPRESSAVG: 2834600 38.0444 -66.4992 41.9939 -65.9459 -52.4536 -53.7135 44.0111 -55.0625 -12.6449 TIMING: 2834600 CPU: 9029.6, 0.0031046/step Wall: 9029.6, 0.0031046/step, 1.86741 hours remaining, 233.816406 MB of memory in use. ENERGY: 2834600 3965.9472 20527.5813 14495.3294 242.2905 -203185.0829 2417.2489 0.0000 0.0000 51934.1587 -109602.5269 298.4663 -161536.6856 -109236.9227 298.9722 -194.5909 -163.4841 759932.6095 -8.9047 -9.0180 PRESSURE: 2834800 -53.6766 187.768 -7.02159 187.767 -216.879 11.7984 -7.02162 11.7981 8.42322 GPRESSURE: 2834800 -56.7319 230.431 61.4778 35.4663 -142.904 -41.0433 -45.1053 21.6633 11.8169 PRESSAVG: 2834800 24.8835 3.96804 8.31327 3.96801 -10.8097 10.1104 8.31328 10.1104 -0.319558 GPRESSAVG: 2834800 25.6915 3.22552 8.16467 3.84313 -11.4417 9.43296 9.13072 9.63016 -1.26574 TIMING: 2834800 CPU: 9030.23, 0.00312862/step Wall: 9030.23, 0.00312862/step, 1.88169 hours remaining, 233.816406 MB of memory in use. ENERGY: 2834800 3929.8538 20461.8621 14484.5246 231.5032 -203426.9294 2576.9591 0.0000 0.0000 52198.6112 -109543.6153 299.9861 -161742.2265 -109172.5340 298.7730 -87.3773 -62.6064 760830.4103 4.5848 4.3280 PRESSURE: 2835000 65.0402 -40.8936 2.16051 -40.8945 352.525 -64.1428 2.16112 -64.1429 452 GPRESSURE: 2835000 74.1544 -174.922 125.209 -4.50284 420.788 26.4298 -64.6208 -145.64 446.994 PRESSAVG: 2835000 60.1779 -28.9307 4.667 -28.9307 -21.9668 -66.1069 4.66699 -66.1069 -1.73126 GPRESSAVG: 2835000 60.1557 -26.5733 5.88193 -30.0343 -22.1863 -65.9826 1.66102 -65.583 -0.915691 TIMING: 2835000 CPU: 9030.86, 0.00314276/step Wall: 9030.86, 0.00314276/step, 1.89002 hours remaining, 233.816406 MB of memory in use. ENERGY: 2835000 3970.9978 20634.4716 14523.7131 259.4072 -203648.8069 2640.4035 0.0000 0.0000 51976.9101 -109642.9036 298.7120 -161619.8136 -109284.6915 298.7660 289.8551 313.9786 759851.5498 12.1599 12.3513 PRESSURE: 2835200 -92.7766 5.19864 176.889 5.19894 -126.786 -179.565 176.889 -179.566 -471.512 GPRESSURE: 2835200 -62.4049 -31.2785 50.9812 -61.7055 -124.435 -109.386 268.933 -207.659 -427.657 PRESSAVG: 2835200 -11.4256 -8.30099 33.613 -8.30095 -17.1537 -35.6747 33.613 -35.6748 8.77258 GPRESSAVG: 2835200 -12.3696 -8.05253 32.7898 -6.86797 -16.6375 -35.6342 34.9242 -35.6353 9.49333 TIMING: 2835200 CPU: 9031.48, 0.00312565/step Wall: 9031.48, 0.00312565/step, 1.87956 hours remaining, 233.816406 MB of memory in use. ENERGY: 2835200 3993.0638 20448.3287 14502.9330 243.5941 -203481.4588 2479.0296 0.0000 0.0000 51962.9678 -109851.5418 298.6319 -161814.5096 -109483.5349 298.3691 -230.3583 -204.8323 759266.8027 -6.6022 -6.5046 PRESSURE: 2835400 -129.064 91.1384 59.5816 91.1375 26.9402 41.3778 59.5813 41.3775 96.6348 GPRESSURE: 2835400 -20.0401 6.1826 -67.1568 190.926 99.6767 -3.07906 131.565 28.1207 8.57934 PRESSAVG: 2835400 -53.7408 -12.0947 24.3419 -12.0947 20.5841 -66.4606 24.3419 -66.4605 5.8011 GPRESSAVG: 2835400 -54.9855 -12.3672 23.121 -11.9583 21.7793 -65.8825 26.4157 -66.5863 5.09678 TIMING: 2835400 CPU: 9032.11, 0.00313421/step Wall: 9032.11, 0.00313421/step, 1.88453 hours remaining, 233.816406 MB of memory in use. ENERGY: 2835400 3951.8131 20399.9761 14506.8254 240.1109 -203471.8573 2625.0569 0.0000 0.0000 52043.5306 -109704.5442 299.0949 -161748.0748 -109338.6555 298.7943 -1.8297 29.4053 758598.6531 -9.1185 -9.3698 PRESSURE: 2835600 -58.4037 -66.157 -143.518 -66.1573 34.6888 72.3099 -143.518 72.3102 2.80309 GPRESSURE: 2835600 11.1227 -130.188 -168.369 -53.4918 45.1922 32.9536 -183.325 145.87 11.5049 PRESSAVG: 2835600 -32.0609 24.3169 4.05957 24.3169 4.49637 -1.42447 4.05956 -1.42442 -7.62024 GPRESSAVG: 2835600 -29.7153 22.8196 5.30016 25.5799 2.72146 -1.30663 0.720576 -2.78524 -8.08392 TIMING: 2835600 CPU: 9032.73, 0.00311806/step Wall: 9032.73, 0.00311806/step, 1.87464 hours remaining, 233.816406 MB of memory in use. ENERGY: 2835600 3957.6137 20300.3009 14499.7257 252.1046 -203381.2604 2563.1346 0.0000 0.0000 52028.3343 -109780.0466 299.0076 -161808.3809 -109413.9677 298.8922 -6.9706 22.6066 758823.6277 -11.7283 -11.6926 PRESSURE: 2835800 63.5349 161.277 -83.3018 161.278 24.8914 91.672 -83.3015 91.6719 -373.714 GPRESSURE: 2835800 166.905 97.1114 -45.0432 71.4369 -29.1077 88.6072 -182.902 80.359 -340.789 PRESSAVG: 2835800 60.2527 -51.0988 -43.1654 -51.0988 -30.2388 19.5389 -43.1655 19.5389 2.31238 GPRESSAVG: 2835800 59.9464 -50.8665 -42.7315 -52.3192 -30.9616 18.0877 -40.3756 20.5784 3.6551 TIMING: 2835800 CPU: 9033.36, 0.00314282/step Wall: 9033.36, 0.00314282/step, 1.88936 hours remaining, 233.816406 MB of memory in use. ENERGY: 2835800 3989.5415 20501.1300 14457.5204 225.6617 -203630.3048 2510.1107 0.0000 0.0000 52268.5238 -109677.8168 300.3879 -161946.3406 -109310.2125 299.0419 -95.0960 -67.6641 759843.7283 10.7754 10.8800 PRESSURE: 2836000 -239.301 121.164 -254.807 121.165 -124.577 211.207 -254.807 211.207 -206.646 GPRESSURE: 2836000 -106.018 40.2051 -250.416 72.7531 -140.651 155.828 -301.003 172.226 -259.335 PRESSAVG: 2836000 23.5089 -27.8088 1.39284 -27.8088 -11.1784 10.9459 1.39285 10.9459 0.842812 GPRESSAVG: 2836000 24.5581 -28.3769 0.292879 -26.2994 -10.0659 10.1089 -1.96445 11.7022 -1.48359 TIMING: 2836000 CPU: 9033.99, 0.00312904/step Wall: 9033.99, 0.00312904/step, 1.8809 hours remaining, 233.816406 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: 2836000 3953.7946 20436.8358 14576.2015 247.9467 -202791.4915 1867.3649 0.0000 0.0000 52146.2035 -109563.1445 299.6849 -161709.3480 -109190.6174 299.3737 -190.1748 -168.6679 760950.8567 4.3911 4.3362 PRESSURE: 2836200 -102.172 -42.6583 3.0925 -42.659 -27.0226 59.087 3.09253 59.0859 -295.156 GPRESSURE: 2836200 -137.516 127.626 -76.4052 -122.696 1.88727 100.514 -29.1647 88.5629 -208.828 PRESSAVG: 2836200 -13.8302 -26.0317 -7.19315 -26.0317 2.2232 15.7432 -7.19305 15.7431 7.46613 GPRESSAVG: 2836200 -15.4325 -25.666 -6.87946 -28.0882 2.98926 18.5088 -5.67707 12.2125 8.3207 TIMING: 2836200 CPU: 9034.61, 0.00313861/step Wall: 9034.61, 0.00313861/step, 1.88648 hours remaining, 233.816406 MB of memory in use. ENERGY: 2836200 4028.7975 20498.1761 14499.4416 240.1010 -203139.7462 2322.5605 0.0000 0.0000 51829.9982 -109720.6711 297.8677 -161550.6693 -109367.5466 298.8436 -141.4502 -114.8188 761467.2364 -1.3803 -1.3742 LDB: ============= START OF LOAD BALANCING ============== 9047.03 LDB: ============== END OF LOAD BALANCING =============== 9047.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9047.04 LDB: ============= START OF LOAD BALANCING ============== 9047.35 LDB: Largest compute 7025 load 0.036159 is 18.5% of average load 0.195361 LDB: Average compute 0.004382 is 2.2% of average load 0.195361 LDB: TIME 9047.36 LOAD: AVG 0.195361 MAX 0.218008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.289 MB LDB: TIME 9047.36 LOAD: AVG 0.195361 MAX 0.218008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.289 MB LDB: TIME 9047.36 LOAD: AVG 0.195361 MAX 0.218008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.289 MB LDB: ============== END OF LOAD BALANCING =============== 9047.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9047.36 PRESSURE: 2836400 -310.037 -151.412 -279.347 -151.412 -223.05 230.723 -279.346 230.723 -347.023 GPRESSURE: 2836400 -229.595 -3.60604 -164.004 -184.134 -241.708 131.88 -288.537 201.971 -322.097 PRESSAVG: 2836400 4.42447 -16.0641 -20.1437 -16.0641 51.3429 -30.5423 -20.1438 -30.5424 6.01771 GPRESSAVG: 2836400 6.82843 -14.9313 -19.4019 -15.5035 49.9026 -32.5189 -19.0359 -29.0069 5.36289 TIMING: 2836400 CPU: 9035.26, 0.00321007/step Wall: 9035.26, 0.00321007/step, 1.92925 hours remaining, 233.562500 MB of memory in use. ENERGY: 2836400 4028.0125 20464.3355 14550.5513 227.2938 -203496.1539 2438.2739 0.0000 0.0000 52298.2727 -109489.4141 300.5589 -161787.6869 -109112.2760 299.5653 -293.3698 -264.4667 760736.1963 20.5950 20.6980 PRESSURE: 2836600 191.663 157.336 2.89483 157.335 -81.0421 -72.6285 2.89387 -72.6283 -356.175 GPRESSURE: 2836600 259.504 218.184 68.7267 126.393 -22.4705 -100.808 37.9336 49.775 -391.249 PRESSAVG: 2836600 23.7424 11.3321 -14.9136 11.3321 -29.9566 -13.8609 -14.9137 -13.861 -20.5794 GPRESSAVG: 2836600 22.377 11.2205 -14.7307 9.1558 -28.5932 -13.5023 -16.3896 -12.4117 -20.118 TIMING: 2836600 CPU: 9035.88, 0.00311612/step Wall: 9035.88, 0.00311612/step, 1.87262 hours remaining, 233.562500 MB of memory in use. ENERGY: 2836600 3966.4979 20613.3216 14481.0871 249.8129 -203220.5643 2532.4993 0.0000 0.0000 52028.7174 -109348.6281 299.0098 -161377.3455 -108985.4536 299.3589 -81.8515 -51.4054 762212.9960 -8.9312 -8.7781 PRESSURE: 2836800 -129.88 -94.3177 122.124 -94.3172 -55.6924 88.786 122.124 88.7862 -124.345 GPRESSURE: 2836800 -67.6986 -141.879 79.9547 -115.777 -96.6819 59.8804 -83.629 233.073 -66.1964 PRESSAVG: 2836800 -43.6459 -44.195 -19.3593 -44.195 10.5434 -0.0772012 -19.3593 -0.0771387 -19.0599 GPRESSAVG: 2836800 -43.0701 -43.3731 -20.9186 -42.4687 9.98926 0.473111 -18.6646 -0.403022 -19.2856 TIMING: 2836800 CPU: 9036.51, 0.00313905/step Wall: 9036.51, 0.00313905/step, 1.88622 hours remaining, 233.765625 MB of memory in use. ENERGY: 2836800 4005.9585 20563.8542 14435.9240 259.0625 -203044.9595 2139.8427 0.0000 0.0000 52185.5332 -109454.7844 299.9110 -161640.3176 -109095.7699 299.3455 -103.3058 -76.8589 761293.2317 -17.3875 -17.4555 PRESSURE: 2837000 225.542 -52.4395 -212.197 -52.4406 -367.279 57.4027 -212.197 57.4033 76.3571 GPRESSURE: 2837000 246.91 -65.0062 -192.58 -93.427 -337.282 80.4675 -111.592 -50.5202 115.246 PRESSAVG: 2837000 30.8614 -15.3377 -3.30867 -15.3378 -21.8647 -10.6068 -3.30863 -10.6068 -1.06287 GPRESSAVG: 2837000 29.5116 -16.7257 -0.748015 -11.8574 -21.2723 -11.2447 -3.40884 -10.8422 -0.475974 TIMING: 2837000 CPU: 9037.13, 0.00313457/step Wall: 9037.13, 0.00313457/step, 1.88336 hours remaining, 233.964844 MB of memory in use. ENERGY: 2837000 3993.2646 20527.1069 14408.6299 241.4693 -203711.7611 2830.4058 0.0000 0.0000 52248.8875 -109461.9971 300.2751 -161710.8846 -109100.6336 299.8406 -21.7936 8.2913 759550.7752 2.6446 2.5878 PRESSURE: 2837200 186.853 -181.984 24.2989 -181.983 219.257 -60.8597 24.3005 -60.8599 306.166 GPRESSURE: 2837200 268.874 -130.056 16.9218 -208.2 217.284 11.6011 30.8754 16.9524 330.797 PRESSAVG: 2837200 66.2283 -55.7929 -32.2286 -55.7928 -83.9887 11.8104 -32.2286 11.8103 10.8495 GPRESSAVG: 2837200 67.2343 -55.5623 -32.5613 -59.0817 -84.7321 13.1792 -31.4142 10.6446 10.4598 TIMING: 2837200 CPU: 9037.76, 0.00310879/step Wall: 9037.76, 0.00310879/step, 1.86769 hours remaining, 234.035156 MB of memory in use. ENERGY: 2837200 3882.3617 20553.7274 14457.6219 253.5166 -203116.9956 2363.5441 0.0000 0.0000 52315.4358 -109290.7880 300.6575 -161606.2238 -108937.3057 300.0343 237.4251 272.3181 761439.0913 -2.3036 -2.3460 PRESSURE: 2837400 11.879 125.288 134.616 125.288 -126.474 1.83267 134.617 1.83213 -144.052 GPRESSURE: 2837400 -49.5455 83.8307 101.907 145.22 -47.0491 -46.0029 74.672 -19.9361 -94.3559 PRESSAVG: 2837400 10.8061 -44.495 27.9655 -44.495 3.48646 20.2952 27.9655 20.2951 -4.00144 GPRESSAVG: 2837400 9.61783 -44.9038 26.1097 -44.1799 4.33683 18.9486 25.8578 21.5768 -3.16899 TIMING: 2837400 CPU: 9038.39, 0.00314987/step Wall: 9038.39, 0.00314987/step, 1.8922 hours remaining, 234.035156 MB of memory in use. ENERGY: 2837400 4009.9908 20438.9858 14490.7674 238.3523 -203138.0008 2572.3292 0.0000 0.0000 52266.5523 -109121.0228 300.3766 -161387.5751 -108742.2187 300.0237 -86.2157 -63.6502 761397.0727 3.4304 3.5952 PRESSURE: 2837600 -295.736 153.324 -120.155 153.324 -230.206 2.24305 -120.155 2.24287 -30.6916 GPRESSURE: 2837600 -162.769 103.836 -161.168 177.468 -180.66 39.6888 -64.3445 65.8055 -125.433 PRESSAVG: 2837600 -23.068 2.72964 9.17401 2.72968 10.8555 51.7399 9.17407 51.7398 15.5659 GPRESSAVG: 2837600 -20.9684 3.75713 9.60257 3.32248 9.41436 51.7816 10.5342 51.7578 15.2577 TIMING: 2837600 CPU: 9039.02, 0.00314469/step Wall: 9039.02, 0.00314469/step, 1.88891 hours remaining, 234.035156 MB of memory in use. ENERGY: 2837600 4041.5967 20559.2889 14510.2989 242.5669 -202847.7216 2366.1052 0.0000 0.0000 52151.4039 -108976.4611 299.7148 -161127.8650 -108612.5810 300.5537 -185.5444 -156.2873 762753.6681 1.1178 1.2346 PRESSURE: 2837800 -99.1117 173.222 -1.48299 173.221 -395.247 182.666 -1.48279 182.666 8.44349 GPRESSURE: 2837800 -45.2468 174.363 -44.3992 125.904 -425.436 224.487 27.7076 82.9402 70.0933 PRESSAVG: 2837800 11.0303 -1.01822 -27.537 -1.01818 -5.68746 58.8263 -27.537 58.8262 -3.46975 GPRESSAVG: 2837800 9.53648 -1.30998 -27.0751 -2.15868 -4.43301 58.3946 -28.6104 58.3911 -2.95521 TIMING: 2837800 CPU: 9039.64, 0.00313646/step Wall: 9039.64, 0.00313646/step, 1.8838 hours remaining, 234.035156 MB of memory in use. ENERGY: 2837800 3985.5375 20504.1485 14434.8051 269.3238 -202797.1243 2275.9745 0.0000 0.0000 52418.9655 -108908.3693 301.2525 -161327.3348 -108531.8173 300.7257 -161.9719 -133.5299 763878.3479 0.6244 0.7161 PRESSURE: 2838000 -89.5357 154.667 -31.8374 154.666 5.46678 62.9761 -31.8374 62.9772 -366.504 GPRESSURE: 2838000 39.7465 137.642 4.88361 81.4132 -30.0745 41.4139 71.904 78.7833 -367.894 PRESSAVG: 2838000 2.00243 -43.5567 6.16744 -43.5567 4.24558 31.1535 6.16742 31.1535 -4.95363 GPRESSAVG: 2838000 2.76534 -43.8412 5.03887 -41.4535 4.10535 31.7715 8.73701 28.419 -5.18421 TIMING: 2838000 CPU: 9040.27, 0.00312106/step Wall: 9040.27, 0.00312106/step, 1.87437 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2838000 4025.0390 20505.4466 14451.7542 239.5600 -202939.6604 2532.9431 0.0000 0.0000 52195.3593 -108989.5582 299.9674 -161184.9175 -108631.6483 300.1975 -150.1909 -119.4073 761870.0987 0.4315 0.5622 PRESSURE: 2838200 255.247 76.9226 131.527 76.9221 -173.012 197.403 131.526 197.404 -223.915 GPRESSURE: 2838200 255.228 -54.9106 106.74 50.6601 -120.27 187.245 37.3155 302.892 -185.542 PRESSAVG: 2838200 22.5987 -11.8527 6.65272 -11.8528 -21.9722 19.3845 6.65274 19.3844 10.4216 GPRESSAVG: 2838200 22.4274 -11.388 8.16351 -12.0646 -22.5582 18.5053 6.31323 22.6407 11.47 TIMING: 2838200 CPU: 9040.89, 0.00312154/step Wall: 9040.89, 0.00312154/step, 1.87448 hours remaining, 234.035156 MB of memory in use. ENERGY: 2838200 3949.0054 20647.2134 14490.4035 247.8440 -203264.5554 2659.0255 0.0000 0.0000 52370.9623 -108900.1014 300.9766 -161271.0637 -108530.9808 299.9063 -47.2268 -16.8613 761493.4751 3.6827 3.7798 PRESSURE: 2838400 144.208 -36.9025 21.473 -36.9024 -71.4301 -167.483 21.4728 -167.484 -113.225 GPRESSURE: 2838400 206.126 -138.882 16.7994 -38.6419 -30.2962 -102.269 102.358 -134.184 -123.021 PRESSAVG: 2838400 16.5174 28.2387 104.568 28.2387 -38.4881 -18.5016 104.568 -18.5016 38.3556 GPRESSAVG: 2838400 15.8921 26.9275 101.906 27.3012 -36.7633 -17.065 104.797 -18.9605 37.738 TIMING: 2838400 CPU: 9041.51, 0.00311796/step Wall: 9041.51, 0.00311796/step, 1.87216 hours remaining, 234.035156 MB of memory in use. ENERGY: 2838400 3990.7566 20618.7053 14414.6589 256.5867 -203231.4646 2615.1625 0.0000 0.0000 52115.6430 -109219.9516 299.5093 -161335.5946 -108849.5743 300.1465 -13.4823 17.6028 760828.9315 5.4616 5.6223 PRESSURE: 2838600 149.163 -352.703 -146.703 -352.704 -172.072 284.393 -146.704 284.392 86.9851 GPRESSURE: 2838600 143.221 -157.378 -89.9338 -367.408 -107.514 217.051 -144.307 223.869 96.1282 PRESSAVG: 2838600 23.0509 -62.4577 35.8689 -62.4578 -4.43413 -5.45982 35.8689 -5.45976 -40.2996 GPRESSAVG: 2838600 25.024 -61.2585 38.7421 -60.6718 -5.77541 -5.77116 34.2561 -6.38753 -41.2685 TIMING: 2838600 CPU: 9042.14, 0.00314042/step Wall: 9042.14, 0.00314042/step, 1.88547 hours remaining, 234.035156 MB of memory in use. ENERGY: 2838600 3963.3510 20527.2532 14473.2997 245.2197 -202668.6304 2399.7318 0.0000 0.0000 51976.0357 -109083.7392 298.7070 -161059.7749 -108725.2760 299.8196 21.3586 43.9452 761622.7453 -7.2276 -7.3400 PRESSURE: 2838800 340.518 91.1207 18.2013 91.1198 -206.882 -253.694 18.2006 -253.693 -352.525 GPRESSURE: 2838800 266.757 68.4144 27.8554 140.796 -16.263 -227.539 -19.4283 -218.476 -354.95 PRESSAVG: 2838800 29.9149 -76.5781 31.6727 -76.5781 -60.2026 13.8815 31.6726 13.8815 13.0968 GPRESSAVG: 2838800 28.4091 -77.7012 30.9566 -77.728 -58.7817 14.0017 31.609 15.6162 13.587 TIMING: 2838800 CPU: 9042.77, 0.00312619/step Wall: 9042.77, 0.00312619/step, 1.87676 hours remaining, 234.035156 MB of memory in use. ENERGY: 2838800 3958.1206 20537.7977 14417.0164 240.7772 -202960.5416 2207.9069 0.0000 0.0000 52357.1343 -109241.7885 300.8972 -161598.9228 -108877.4960 300.1683 -72.9631 -34.8188 759940.7329 -5.7303 -5.5952 PRESSURE: 2839000 -132.374 -149.299 133.411 -149.299 43.0172 63.0767 133.412 63.0767 -68.4873 GPRESSURE: 2839000 -85.7149 -160.045 116.233 -130.309 135.172 29.2872 207.817 77.9725 -103.103 PRESSAVG: 2839000 70.7308 -51.4736 41.6356 -51.4736 -64.0407 19.6372 41.6356 19.6372 -7.40453 GPRESSAVG: 2839000 71.302 -49.2198 41.0175 -52.2711 -64.2169 20.7545 44.5446 16.2555 -8.12906 TIMING: 2839000 CPU: 9043.4, 0.00314898/step Wall: 9043.4, 0.00314898/step, 1.89027 hours remaining, 234.035156 MB of memory in use. ENERGY: 2839000 3952.5485 20526.7050 14453.6637 231.2327 -203053.1860 2535.0008 0.0000 0.0000 52195.2125 -109158.8228 299.9666 -161354.0352 -108798.3022 299.9014 -52.6148 -17.8820 762822.9958 -0.2382 -0.3480 PRESSURE: 2839200 -31.471 -73.9629 321.065 -73.9628 -364.878 0.557813 321.065 0.557234 -459.709 GPRESSURE: 2839200 64.7852 -166.835 304.741 -232.917 -397.213 71.1947 240.539 13.0105 -452.401 PRESSAVG: 2839200 14.9502 -31.8197 19.8112 -31.8197 -9.88008 -37.4363 19.8112 -37.4364 -7.7301 GPRESSAVG: 2839200 15.5944 -32.7477 21.7506 -29.3148 -11.1346 -39.7712 18.2923 -34.8384 -6.47507 TIMING: 2839200 CPU: 9044.03, 0.00317282/step Wall: 9044.03, 0.00317282/step, 1.9044 hours remaining, 234.035156 MB of memory in use. ENERGY: 2839200 4077.7164 20526.1594 14446.3652 260.3880 -202803.7588 2257.6550 0.0000 0.0000 51989.0763 -109246.3986 298.7819 -161235.4749 -108878.8507 299.8267 -285.3528 -261.6095 761720.2290 -0.8867 -0.6717 PRESSURE: 2839400 -104.419 41.4579 319.857 41.4572 -164.677 -16.6363 319.857 -16.6364 -241.793 GPRESSURE: 2839400 -96.951 112.957 269.679 114.414 -135.294 29.7684 336.309 -14.1978 -195.715 PRESSAVG: 2839400 46.1191 -15.0478 14.2156 -15.0478 -43.0511 44.4242 14.2156 44.4242 2.34729 GPRESSAVG: 2839400 46.1623 -16.0475 12.5534 -16.9321 -42.827 46.3037 12.1138 43.9661 2.16924 TIMING: 2839400 CPU: 9044.66, 0.00312482/step Wall: 9044.66, 0.00312482/step, 1.87541 hours remaining, 234.035156 MB of memory in use. ENERGY: 2839400 3915.6581 20443.3172 14492.8022 234.5170 -202991.2484 2230.5903 0.0000 0.0000 52653.1839 -109021.1795 302.5986 -161674.3634 -108643.9749 300.1362 -170.2964 -142.6533 761645.1867 1.8051 1.8349 PRESSURE: 2839600 -33.5216 -28.8433 -250.618 -28.8427 -556.854 -30.238 -250.618 -30.2382 -401.708 GPRESSURE: 2839600 -38.0594 -96.377 -177.194 -68.1507 -462.475 -28.68 -188.617 39.669 -403.916 PRESSAVG: 2839600 49.4245 -28.9527 -50.7833 -28.9527 -68.9153 -12.7509 -50.7834 -12.7509 -27.1556 GPRESSAVG: 2839600 47.0523 -28.5522 -50.0389 -27.89 -66.9677 -13.5724 -48.8813 -11.2176 -26.4858 TIMING: 2839600 CPU: 9045.29, 0.00314763/step Wall: 9045.29, 0.00314763/step, 1.88893 hours remaining, 234.035156 MB of memory in use. ENERGY: 2839600 4010.4168 20673.2694 14509.1483 258.3183 -202761.8436 2101.5717 0.0000 0.0000 52085.6083 -109123.5110 299.3367 -161209.1193 -108763.3482 300.2352 -330.6945 -301.4838 762242.7216 -15.5488 -15.4671 PRESSURE: 2839800 -651.625 7.70503 24.3229 7.70673 -357.774 48.3748 24.3234 48.3749 -387.328 GPRESSURE: 2839800 -557.077 -64.0301 -18.8133 5.7039 -391.804 -7.96059 26.9555 -20.8913 -365.488 PRESSAVG: 2839800 27.2859 -9.52769 -103.405 -9.52764 -31.7785 2.80103 -103.405 2.80106 -14.8202 GPRESSAVG: 2839800 30.4068 -8.90171 -103.233 -9.42557 -33.0214 2.34079 -102.944 3.9089 -16.5025 TIMING: 2839800 CPU: 9045.91, 0.00313375/step Wall: 9045.91, 0.00313375/step, 1.88043 hours remaining, 234.035156 MB of memory in use. ENERGY: 2839800 4142.8126 20560.3039 14464.7279 237.6079 -202987.4693 2359.3941 0.0000 0.0000 52211.3957 -109011.2273 300.0596 -161222.6230 -108652.6625 300.3103 -465.5757 -438.1232 761232.7507 -6.4376 -6.3724 PRESSURE: 2840000 110.185 -91.3835 29.1782 -91.3845 -54.5703 52.6887 29.1776 52.69 46.5313 GPRESSURE: 2840000 95.3305 -121.59 -12.495 -49.3876 27.1624 92.402 129.441 82.0279 71.8921 PRESSAVG: 2840000 35.2439 -92.9101 -11.5912 -92.9101 -40.1582 16.9717 -11.5912 16.9717 -10.8816 GPRESSAVG: 2840000 34.5569 -93.3601 -12.25 -92.684 -39.9928 17.697 -12.1137 14.4201 -9.82099 TIMING: 2840000 CPU: 9046.54, 0.00312173/step Wall: 9046.54, 0.00312173/step, 1.87304 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2840000 3947.0551 20631.4954 14426.5837 231.9584 -203123.3422 2482.0879 0.0000 0.0000 52158.1622 -109245.9995 299.7537 -161404.1617 -108883.0864 299.7175 34.0485 64.7950 761077.9744 -5.2653 -5.0856 PRESSURE: 2840200 58.0478 -159.864 -57.9255 -159.863 -396.137 286.083 -57.9258 286.083 133.23 GPRESSURE: 2840200 100.136 -26.4233 13.376 -125.996 -303.492 208.182 -213.87 340.568 94.6646 PRESSAVG: 2840200 43.6669 -40.1865 -55.7175 -40.1865 -0.595713 -61.2726 -55.7175 -61.2726 -0.279092 GPRESSAVG: 2840200 44.5827 -38.9334 -56.089 -41.2757 -0.97768 -60.9503 -53.6455 -59.058 -0.449177 TIMING: 2840200 CPU: 9047.16, 0.00312624/step Wall: 9047.16, 0.00312624/step, 1.87557 hours remaining, 234.035156 MB of memory in use. ENERGY: 2840200 4023.1119 20508.2511 14395.1840 239.7030 -202768.8245 2341.2915 0.0000 0.0000 51895.4961 -109365.7870 298.2441 -161261.2831 -108996.3886 299.4045 -68.2863 -36.2304 760203.7610 14.2640 14.3853 LDB: ============= START OF LOAD BALANCING ============== 9059.58 LDB: ============== END OF LOAD BALANCING =============== 9059.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9059.59 LDB: ============= START OF LOAD BALANCING ============== 9059.9 LDB: Largest compute 7025 load 0.034921 is 17.9% of average load 0.195417 LDB: Average compute 0.004382 is 2.2% of average load 0.195417 LDB: TIME 9059.9 LOAD: AVG 0.195417 MAX 0.218334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.199 MB LDB: TIME 9059.9 LOAD: AVG 0.195417 MAX 0.218334 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: TIME 9059.9 LOAD: AVG 0.195417 MAX 0.216847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.199 MB LDB: ============== END OF LOAD BALANCING =============== 9059.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9059.91 PRESSURE: 2840400 -196.086 36.538 142.016 36.5379 -262.915 -19.2471 142.016 -19.2476 -246.016 GPRESSURE: 2840400 -269.071 87.9333 176.092 20.1511 -167.051 -29.4108 54.0187 -1.52292 -203.18 PRESSAVG: 2840400 39.515 -10.6177 -13.0273 -10.6177 -55.2084 11.534 -13.0274 11.534 -6.17356 GPRESSAVG: 2840400 36.3005 -10.6599 -13.3877 -10.1453 -53.8681 10.5895 -15.0107 8.76144 -4.68484 TIMING: 2840400 CPU: 9047.8, 0.00319975/step Wall: 9047.8, 0.00319975/step, 1.91949 hours remaining, 233.808594 MB of memory in use. ENERGY: 2840400 3912.6864 20505.8543 14498.2784 231.5725 -202906.6014 2246.9390 0.0000 0.0000 52014.6773 -109496.5935 298.9291 -161511.2708 -109132.2811 298.7115 -235.0059 -213.1008 760074.4414 -7.2890 -7.4175 PRESSURE: 2840600 -253.379 66.1103 123.576 66.1097 -75.8062 -76.0173 123.575 -76.0176 123.343 GPRESSURE: 2840600 -213.149 -30.8928 136.537 -5.077 -79.8559 -84.8717 133.102 -12.7781 154.211 PRESSAVG: 2840600 35.8301 -61.6469 23.1646 -61.6469 -28.0006 8.34062 23.1646 8.34056 17.6728 GPRESSAVG: 2840600 36.8617 -60.6058 24.0162 -63.4941 -27.4982 8.93874 22.4254 8.77242 15.6781 TIMING: 2840600 CPU: 9048.43, 0.00311276/step Wall: 9048.43, 0.00311276/step, 1.86714 hours remaining, 234.265625 MB of memory in use. ENERGY: 2840600 3968.5501 20492.9218 14411.5995 232.5014 -202950.3005 2086.8352 0.0000 0.0000 52201.8551 -109556.0375 300.0048 -161757.8925 -109192.9185 299.2343 -68.6139 -46.2646 759277.2641 8.5008 8.3472 PRESSURE: 2840800 -223.676 121.413 119.921 121.413 4.49967 68.038 119.921 68.0376 139.403 GPRESSURE: 2840800 -126.072 81.7319 77.9255 130.161 -32.0351 28.3288 69.2174 185.334 183.982 PRESSAVG: 2840800 20.1959 -8.61931 42.3306 -8.6194 12.5716 8.16588 42.3306 8.16582 -1.23445 GPRESSAVG: 2840800 20.3089 -8.65029 42.5735 -9.8543 11.6472 9.32715 44.4713 10.988 -0.525693 TIMING: 2840800 CPU: 9049.05, 0.00312743/step Wall: 9049.05, 0.00312743/step, 1.87576 hours remaining, 234.335938 MB of memory in use. ENERGY: 2840800 4101.3015 20457.0290 14560.9278 256.6404 -203469.8225 2624.2767 0.0000 0.0000 52085.5146 -109384.1326 299.3362 -161469.6471 -109023.5043 299.5219 -26.5912 8.6249 757611.5592 10.5110 10.4768 PRESSURE: 2841000 44.5203 -98.2637 -89.4574 -98.2635 -39.1011 209.029 -89.4574 209.03 423.565 GPRESSURE: 2841000 43.6555 -106.979 -24.1456 -72.881 175.679 192.297 -57.5368 18.2203 319.089 PRESSAVG: 2841000 92.0779 25.8805 -21.6206 25.8805 -71.1254 18.9088 -21.6206 18.9089 28.3657 GPRESSAVG: 2841000 91.8966 22.3385 -22.3125 30.0505 -70.0689 17.7758 -23.657 16.5564 27.0802 TIMING: 2841000 CPU: 9049.68, 0.00314122/step Wall: 9049.68, 0.00314122/step, 1.88386 hours remaining, 234.335938 MB of memory in use. ENERGY: 2841000 3939.3528 20579.6890 14480.4955 245.2359 -203036.4861 2338.8371 0.0000 0.0000 52166.7292 -109286.1466 299.8029 -161452.8758 -108916.6548 299.5067 142.9948 179.4747 758299.8016 16.4394 16.3026 PRESSURE: 2841200 -208.306 -52.3524 -14.3125 -52.3518 18.8828 -61.2902 -14.3118 -61.2903 -141.682 GPRESSURE: 2841200 -95.5431 5.01069 -2.99783 -119.674 15.6694 -82.1544 -64.1084 -58.2394 -146.357 PRESSAVG: 2841200 25.2442 -65.6904 33.2194 -65.6904 -31.6991 32.7861 33.2194 32.7861 -4.47192 GPRESSAVG: 2841200 25.3179 -61.9279 33.5552 -68.9705 -32.1338 33.361 34.4013 31.6276 -3.78677 TIMING: 2841200 CPU: 9050.31, 0.00314219/step Wall: 9050.31, 0.00314219/step, 1.88427 hours remaining, 234.335938 MB of memory in use. ENERGY: 2841200 4048.3270 20600.6103 14425.1138 236.4765 -202989.4786 2526.7998 0.0000 0.0000 51895.3182 -109256.8330 298.2431 -161152.1512 -108896.5417 299.5560 -110.3684 -75.4101 759729.5953 -3.6423 -3.5342 PRESSURE: 2841400 18.1667 -99.3886 329.821 -99.3889 -122.947 77.4868 329.821 77.4864 -232.541 GPRESSURE: 2841400 82.9827 11.9975 285.769 -62.5757 -220.254 102.338 283.099 179.795 -116.353 PRESSAVG: 2841400 33.33 -41.0005 -45.5856 -41.0005 10.3263 62.9005 -45.5856 62.9006 -10.5722 GPRESSAVG: 2841400 32.181 -41.9427 -45.2942 -42.0914 10.275 61.3862 -45.8511 66.4038 -9.18183 TIMING: 2841400 CPU: 9050.94, 0.00314175/step Wall: 9050.94, 0.00314175/step, 1.88383 hours remaining, 234.335938 MB of memory in use. ENERGY: 2841400 4044.4888 20498.3680 14431.3831 246.3318 -202810.5708 2231.3705 0.0000 0.0000 52304.2646 -109054.3641 300.5933 -161358.6286 -108692.1358 299.9036 -112.4406 -84.5413 761453.7442 11.0280 11.0914 PRESSURE: 2841600 21.5101 17.0832 -13.5217 17.0824 -172.219 -140.826 -13.5212 -140.825 247.594 GPRESSURE: 2841600 135.263 -2.39216 77.3065 -68.705 -229.074 -258.715 -167.089 -117.346 274.617 PRESSAVG: 2841600 -0.948973 -48.5758 4.78657 -48.5758 -49.5739 64.9509 4.7866 64.9509 12.8687 GPRESSAVG: 2841600 0.594698 -49.0238 4.89665 -46.9142 -50.8795 66.1263 4.06789 62.7067 12.1959 TIMING: 2841600 CPU: 9051.56, 0.00313079/step Wall: 9051.56, 0.00313079/step, 1.87708 hours remaining, 234.335938 MB of memory in use. ENERGY: 2841600 3995.4210 20788.1771 14423.1230 238.4103 -203070.1372 2405.2229 0.0000 0.0000 51945.5057 -109274.2772 298.5315 -161219.7829 -108913.6544 299.9106 32.2950 60.2686 762114.4969 -12.5514 -12.6963 PRESSURE: 2841800 215.728 13.7519 -11.0676 13.7518 33.6091 -45.5251 -11.0676 -45.5258 26.0652 GPRESSURE: 2841800 210.006 23.5286 19.8424 217.124 123.976 -11.1767 61.9804 24.1727 61.6875 PRESSAVG: 2841800 31.698 -53.7858 -33.2712 -53.7858 -32.6783 54.2822 -33.2711 54.2822 16.1019 GPRESSAVG: 2841800 32.4103 -53.8321 -34.1339 -52.9345 -31.9979 54.26 -32.2085 52.8319 15.4628 TIMING: 2841800 CPU: 9052.19, 0.0031146/step Wall: 9052.19, 0.0031146/step, 1.8672 hours remaining, 234.335938 MB of memory in use. ENERGY: 2841800 4032.8731 20488.6929 14461.4966 248.8866 -202967.6474 2418.0882 0.0000 0.0000 52222.4577 -109095.1522 300.1232 -161317.6100 -108735.4410 299.8293 91.8008 131.8897 762520.5663 5.0405 5.2918 PRESSURE: 2842000 -151.167 -221.319 284.291 -221.32 -286.74 60.6834 284.292 60.6829 22.972 GPRESSURE: 2842000 -115.635 -206.561 331.571 -224.121 -307.443 99.7224 225.506 37.9796 96.9695 PRESSAVG: 2842000 20.7691 -60.4303 28.132 -60.4303 -33.5881 32.7733 28.1321 32.7733 8.12633 GPRESSAVG: 2842000 20.5697 -60.9838 27.7815 -60.6109 -34.5184 32.5346 30.5596 35.6779 9.02307 TIMING: 2842000 CPU: 9052.81, 0.00314809/step Wall: 9052.81, 0.00314809/step, 1.88711 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2842000 3984.5976 20757.1055 14505.5769 242.0724 -203122.5437 2471.8785 0.0000 0.0000 52226.6797 -108934.6331 300.1474 -161161.3128 -108575.7768 300.3473 -138.3116 -108.7027 762463.4667 -1.5642 -1.6419 PRESSURE: 2842200 -434.648 -155.873 21.5807 -155.873 -195.779 -30.4707 21.5803 -30.4695 -142.114 GPRESSURE: 2842200 -456.698 -158.881 9.60737 -207.117 -187.319 60.8534 5.09852 -68.5814 -47.1876 PRESSAVG: 2842200 4.62306 -46.1109 -9.09245 -46.111 -41.7159 80.5156 -9.09249 80.5156 6.77695 GPRESSAVG: 2842200 2.74332 -46.2381 -9.43308 -44.9082 -40.0465 80.4594 -10.1181 79.7805 7.03248 TIMING: 2842200 CPU: 9053.45, 0.00315084/step Wall: 9053.45, 0.00315084/step, 1.88858 hours remaining, 234.335938 MB of memory in use. ENERGY: 2842200 4000.3519 20726.0293 14476.9922 249.4052 -203054.9355 2415.6612 0.0000 0.0000 52074.3408 -109112.1548 299.2720 -161186.4956 -108748.2414 300.2226 -257.5135 -230.4015 762003.1587 -10.1053 -10.0902 PRESSURE: 2842400 -261.414 95.6058 124.906 95.6059 -245.719 -1.4426 124.907 -1.44311 -273.979 GPRESSURE: 2842400 -191.646 -56.6048 70.7702 172.214 -241.977 59.9246 143.645 -70.6026 -292.87 PRESSAVG: 2842400 49.1814 -76.2326 -2.6374 -76.2326 -47.7142 29.9413 -2.6374 29.9414 27.2768 GPRESSAVG: 2842400 50.1327 -74.7143 -2.00988 -78.2934 -48.241 30.3407 -3.54998 27.2637 26.1595 TIMING: 2842400 CPU: 9054.07, 0.00312223/step Wall: 9054.07, 0.00312223/step, 1.87126 hours remaining, 234.335938 MB of memory in use. ENERGY: 2842400 4076.5845 20628.4023 14482.3871 246.1759 -203080.7024 2146.7145 0.0000 0.0000 52253.6362 -109246.8019 300.3024 -161500.4381 -108882.0637 300.0926 -260.3706 -242.1641 760605.5969 9.5813 9.3504 PRESSURE: 2842600 198.559 -50.6354 -210.813 -50.6349 79.1312 -63.0521 -210.813 -63.0536 -329.223 GPRESSURE: 2842600 165.938 -43.0542 -190.215 0.107879 159.224 11.6228 -135.472 9.73802 -299.475 PRESSAVG: 2842600 83.2638 -16.3425 -81.1885 -16.3425 -96.6983 16.3403 -81.1886 16.3404 5.1139 GPRESSAVG: 2842600 82.79 -17.1434 -80.6635 -13.5741 -96.6874 16.5467 -81.1246 19.0771 5.80403 TIMING: 2842600 CPU: 9054.7, 0.00313618/step Wall: 9054.7, 0.00313618/step, 1.87944 hours remaining, 234.476562 MB of memory in use. ENERGY: 2842600 4035.1322 20477.7934 14423.6342 242.9353 -203401.3695 2555.0098 0.0000 0.0000 52303.1839 -109363.6807 300.5871 -161666.8646 -108996.0013 299.8943 -17.1776 8.5623 759727.4493 -2.7735 -2.6978 PRESSURE: 2842800 457.73 -107.569 -103.395 -107.569 81.9995 43.2444 -103.396 43.2443 112.792 GPRESSURE: 2842800 432.821 -217.807 -105.905 -94.0368 144.946 44.0823 11.5909 49.3286 152.228 PRESSAVG: 2842800 47.7843 -63.777 10.6565 -63.7769 -33.5748 -1.26376 10.6565 -1.26376 -30.0314 GPRESSAVG: 2842800 48.3088 -64.5811 11.7103 -64.8165 -34.2331 -1.24512 8.89765 -1.12576 -29.8294 TIMING: 2842800 CPU: 9055.32, 0.00312659/step Wall: 9055.32, 0.00312659/step, 1.87352 hours remaining, 234.476562 MB of memory in use. ENERGY: 2842800 3982.5619 20569.3075 14502.2564 256.6579 -203126.2781 2411.9118 0.0000 0.0000 52178.9427 -109224.6400 299.8731 -161403.5826 -108865.1807 299.6270 217.5069 243.3318 762376.0147 -5.2740 -5.2512 PRESSURE: 2843000 -52.8099 -95.608 250.655 -95.608 11.675 191.989 250.656 191.989 -35.0413 GPRESSURE: 2843000 33.5997 -16.1653 250.192 -72.9954 -19.4806 165.495 288.642 59.4145 -23.1669 PRESSAVG: 2843000 92.3188 -6.032 16.238 -6.03201 -103.551 22.6543 16.238 22.6543 -28.2271 GPRESSAVG: 2843000 93.2531 -5.14702 16.5752 -5.40053 -103.847 21.5223 16.638 20.3263 -28.4549 TIMING: 2843000 CPU: 9055.95, 0.00312874/step Wall: 9055.95, 0.00312874/step, 1.87464 hours remaining, 234.476562 MB of memory in use. ENERGY: 2843000 3899.2540 20712.0654 14512.3098 256.9164 -203121.0012 2364.9884 0.0000 0.0000 52139.9269 -109235.5402 299.6489 -161375.4672 -108875.4514 299.2216 -25.3921 -3.0159 762029.3486 -13.1531 -13.0164 PRESSURE: 2843200 239.789 12.2593 11.456 12.2594 -215.986 16.9472 11.456 16.9472 -260.393 GPRESSURE: 2843200 242.537 24.5252 46.0124 2.22549 -167.549 94.5338 206.539 10.7002 -221.246 PRESSAVG: 2843200 89.8293 3.05097 11.4693 3.05094 -55.5085 -35.7874 11.4693 -35.7874 14.2889 GPRESSAVG: 2843200 89.5542 1.45966 11.0666 0.852477 -55.412 -35.1854 14.3598 -33.6666 14.4411 TIMING: 2843200 CPU: 9056.57, 0.00312155/step Wall: 9056.57, 0.00312155/step, 1.87016 hours remaining, 234.476562 MB of memory in use. ENERGY: 2843200 4074.2991 20608.0111 14499.1153 227.2714 -203157.2636 2550.2567 0.0000 0.0000 52054.5903 -109143.7196 299.1584 -161198.3100 -108780.6802 300.3549 -78.8633 -48.7527 761626.6447 16.2033 16.1945 PRESSURE: 2843400 -203.786 -46.7431 -29.744 -46.7426 -389.283 208.508 -29.7436 208.509 44.8989 GPRESSURE: 2843400 -163.727 -24.0655 8.68181 23.9572 -341.523 26.7781 -131.088 181.517 19.4289 PRESSAVG: 2843400 73.4441 -14.3632 10.6361 -14.3632 -94.2425 -28.2929 10.6361 -28.2929 -6.93555 GPRESSAVG: 2843400 72.9712 -12.8181 10.8945 -14.3801 -91.6245 -29.6825 6.79034 -28.1471 -8.01079 TIMING: 2843400 CPU: 9057.2, 0.00311718/step Wall: 9057.2, 0.00311718/step, 1.86737 hours remaining, 234.476562 MB of memory in use. ENERGY: 2843400 4004.0474 20569.0760 14492.4003 255.0548 -202968.7105 2380.1430 0.0000 0.0000 52314.5038 -108953.4851 300.6522 -161267.9889 -108587.4706 300.1326 -182.7233 -161.9406 763289.6788 -9.2446 -8.8880 PRESSURE: 2843600 144.156 -42.3913 -64.6301 -42.3918 51.7219 105.719 -64.6307 105.719 237.174 GPRESSURE: 2843600 149.254 69.2895 -81.2913 -7.95497 94.5445 119.008 -57.9849 162.514 253.545 PRESSAVG: 2843600 39.8264 -30.4843 -38.0833 -30.4842 -33.454 -23.0223 -38.0833 -23.0222 2.3575 GPRESSAVG: 2843600 41.6114 -29.5464 -39.2238 -31.4139 -36.4747 -21.9716 -35.0237 -24.7896 3.06989 TIMING: 2843600 CPU: 9057.82, 0.0031209/step Wall: 9057.82, 0.0031209/step, 1.86942 hours remaining, 234.476562 MB of memory in use. ENERGY: 2843600 3967.0544 20536.3180 14462.0381 236.1296 -203813.6619 2865.2920 0.0000 0.0000 52390.5540 -109356.2758 301.0892 -161746.8298 -108989.4609 299.4166 144.3506 165.7810 760637.2337 2.9100 2.7355 PRESSURE: 2843800 61.0151 -12.9902 88.6979 -12.9895 -11.0407 143.093 88.6981 143.093 -15.3248 GPRESSURE: 2843800 35.2571 22.1551 102.99 -13.2285 41.4772 127.214 -10.4636 161.283 32.6175 PRESSAVG: 2843800 33.4951 11.6543 22.2313 11.6542 -19.2078 71.3163 22.2313 71.3163 31.5834 GPRESSAVG: 2843800 31.3864 11.9887 22.8041 9.98081 -18.5644 70.9059 22.4193 72.5882 32.7357 TIMING: 2843800 CPU: 9058.44, 0.00311512/step Wall: 9058.44, 0.00311512/step, 1.86578 hours remaining, 234.476562 MB of memory in use. ENERGY: 2843800 3987.9164 20578.0150 14441.3527 238.4142 -203531.6540 2678.0916 0.0000 0.0000 52184.8003 -109423.0639 299.9068 -161607.8642 -109059.1964 299.4390 11.5499 36.4506 760633.5963 15.2903 15.1859 PRESSURE: 2844000 -63.6716 176.155 78.8729 176.155 -26.9969 81.2829 78.8725 81.2833 394.46 GPRESSURE: 2844000 -42.7299 166.052 87.5477 84.1241 104.529 95.7591 -45.7213 -19.1175 326.13 PRESSAVG: 2844000 66.0502 -4.35794 9.87814 -4.35802 -19.1562 29.8385 9.87809 29.8386 -10.0639 GPRESSAVG: 2844000 67.6548 -4.90196 10.158 -2.18785 -18.0764 29.9002 8.60993 29.3298 -11.9741 TIMING: 2844000 CPU: 9059.07, 0.00312735/step Wall: 9059.07, 0.00312735/step, 1.87293 hours remaining, 234.476562 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: 2844000 4013.4185 20675.0178 14447.3197 249.2055 -203285.2279 2469.5626 0.0000 0.0000 51925.1004 -109505.6034 298.4143 -161430.7038 -109149.0414 298.7742 101.2638 129.3097 760652.8295 12.2767 12.5348 PRESSURE: 2844200 327.571 -62.8967 -219.685 -62.8971 121.128 -355.37 -219.686 -355.37 -222.187 GPRESSURE: 2844200 339.83 -102.18 -240.109 -54.4395 122.985 -356.69 -47.4051 -256.404 -140.754 PRESSAVG: 2844200 16.5783 -11.9399 -36.5 -11.9399 -29.245 51.1434 -36.5 51.1434 -9.84763 GPRESSAVG: 2844200 16.0672 -14.4492 -35.0798 -10.9337 -29.6292 52.016 -36.4219 50.6989 -8.31339 TIMING: 2844200 CPU: 9059.7, 0.00316183/step Wall: 9059.7, 0.00316183/step, 1.89341 hours remaining, 234.476562 MB of memory in use. ENERGY: 2844200 4062.7213 20594.1028 14447.2713 249.2997 -203354.5109 2455.9622 0.0000 0.0000 51904.6041 -109640.5495 298.2965 -161545.1536 -109274.2633 298.9362 75.5039 107.3536 760186.0581 -7.5048 -7.2918 LDB: ============= START OF LOAD BALANCING ============== 9072.12 LDB: ============== END OF LOAD BALANCING =============== 9072.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9072.13 LDB: ============= START OF LOAD BALANCING ============== 9072.44 LDB: Largest compute 7034 load 0.034009 is 17.4% of average load 0.195573 LDB: Average compute 0.004384 is 2.2% of average load 0.195573 LDB: TIME 9072.45 LOAD: AVG 0.195573 MAX 0.215574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 9072.45 LOAD: AVG 0.195573 MAX 0.215574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: TIME 9072.45 LOAD: AVG 0.195573 MAX 0.215574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: ============== END OF LOAD BALANCING =============== 9072.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9072.45 PRESSURE: 2844400 180.565 -42.262 243.142 -42.2631 339.393 69.14 243.142 69.14 19.3788 GPRESSURE: 2844400 61.575 30.8659 233.855 65.3335 466.261 68.9795 186.54 87.0584 85.6005 PRESSAVG: 2844400 -2.40135 -12.9233 40.9675 -12.9233 29.8835 12.3168 40.9675 12.3168 13.0474 GPRESSAVG: 2844400 -2.61557 -12.2544 40.8609 -12.0633 30.1376 11.1929 40.4831 13.1359 12.8866 TIMING: 2844400 CPU: 9060.35, 0.00323667/step Wall: 9060.35, 0.00323667/step, 1.93805 hours remaining, 234.902344 MB of memory in use. ENERGY: 2844400 3897.2771 20600.7704 14495.1855 239.0182 -203770.0886 2696.9792 0.0000 0.0000 52028.1178 -109812.7405 299.0063 -161840.8582 -109458.6398 299.2795 179.7787 204.4789 760775.4760 13.5099 13.4696 PRESSURE: 2844600 361.049 120.622 139.462 120.621 194.317 80.4669 139.463 80.4651 658.391 GPRESSURE: 2844600 388.891 150.063 203.436 55.0646 278.174 105.424 85.2373 57.1431 635.178 PRESSAVG: 2844600 37.557 -31.6289 -7.89985 -31.6289 -42.5246 21.4588 -7.8999 21.4588 2.02881 GPRESSAVG: 2844600 37.4248 -31.49 -9.1126 -33.7573 -43.1968 22.3349 -9.12819 22.2097 3.00944 TIMING: 2844600 CPU: 9060.97, 0.00313379/step Wall: 9060.97, 0.00313379/step, 1.87627 hours remaining, 235.105469 MB of memory in use. ENERGY: 2844600 3960.2336 20567.4906 14432.0549 239.4947 -203879.4005 2754.7370 0.0000 0.0000 52046.1229 -109879.2668 299.1098 -161925.3897 -109510.5146 298.8399 404.5857 434.0811 760172.2890 -0.9796 -0.9209 PRESSURE: 2844800 -360.808 -133.795 -43.8465 -133.796 -191.504 165.278 -43.8467 165.277 -264.216 GPRESSURE: 2844800 -403.914 -157.66 41.9977 -101.248 -67.9327 141.184 -53.8892 107.782 -260.109 PRESSAVG: 2844800 50.8015 -28.8009 -18.5534 -28.8009 -80.7402 20.4527 -18.5534 20.4527 -50.6962 GPRESSAVG: 2844800 50.0396 -29.9128 -17.5543 -28.1806 -78.8883 19.058 -17.9242 18.453 -51.7286 TIMING: 2844800 CPU: 9061.6, 0.0031337/step Wall: 9061.6, 0.0031337/step, 1.87604 hours remaining, 235.105469 MB of memory in use. ENERGY: 2844800 4066.9834 20592.3840 14526.5453 249.0921 -203386.6061 2357.8270 0.0000 0.0000 51710.4892 -109883.2850 297.1809 -161593.7742 -109531.2936 298.4170 -272.1762 -243.9850 761618.1059 -26.8783 -26.8591 PRESSURE: 2845000 384.414 -164.841 -35.1155 -164.841 181.087 -139.941 -35.1159 -139.942 166.809 GPRESSURE: 2845000 440.664 -267.555 -88.9612 -110.796 227.86 -182.564 -87.7296 -55.7793 153.468 PRESSAVG: 2845000 -25.1689 -19.0806 23.0604 -19.0807 30.5577 -1.05681 23.0604 -1.05679 -8.30198 GPRESSAVG: 2845000 -24.4705 -17.1411 21.3601 -19.7121 30.3083 0.973756 24.803 -0.41828 -8.40083 TIMING: 2845000 CPU: 9062.23, 0.0031222/step Wall: 9062.23, 0.0031222/step, 1.86898 hours remaining, 235.105469 MB of memory in use. ENERGY: 2845000 3990.6212 20594.6675 14498.5112 243.4325 -203847.5372 2856.1745 0.0000 0.0000 51833.4688 -109830.6615 297.8877 -161664.1303 -109468.5185 298.5187 244.1032 273.9973 760947.5097 -0.9711 -0.8543 PRESSURE: 2845200 -80.5842 -296.353 17.8853 -296.353 -70.851 135.243 17.8849 135.241 -110.745 GPRESSURE: 2845200 -89.7915 -174.894 21.49 -347.556 -1.24255 148.136 -26.7469 -36.8578 -70.6946 PRESSAVG: 2845200 -0.433467 -56.9001 35.3562 -56.9001 17.3452 -3.15275 35.3562 -3.15278 6.00342 GPRESSAVG: 2845200 -0.630889 -56.1447 36.2096 -57.7024 17.4905 -2.75773 35.423 -4.8009 5.54613 TIMING: 2845200 CPU: 9062.85, 0.00313928/step Wall: 9062.85, 0.00313928/step, 1.87903 hours remaining, 235.105469 MB of memory in use. ENERGY: 2845200 4030.0547 20524.1313 14490.6526 227.6448 -203670.9080 2495.5619 0.0000 0.0000 51837.1093 -110065.7533 297.9086 -161902.8627 -109695.5443 297.8953 -87.3935 -53.9095 762363.7483 7.6384 7.4686 PRESSURE: 2845400 23.6081 235.642 105.814 235.641 -179.49 -222.961 105.815 -222.962 96.799 GPRESSURE: 2845400 98.0747 151.062 80.3131 159.008 -219.657 -212.185 57.0351 -133.147 152.259 PRESSAVG: 2845400 25.9954 -23.4255 5.35473 -23.4255 -20.9323 -49.8409 5.35478 -49.8407 15.4274 GPRESSAVG: 2845400 27.2714 -26.018 5.64237 -22.3733 -22.0038 -48.5654 4.25623 -49.4485 15.2933 TIMING: 2845400 CPU: 9063.48, 0.00313251/step Wall: 9063.48, 0.00313251/step, 1.87481 hours remaining, 235.105469 MB of memory in use. ENERGY: 2845400 3942.3518 20469.1396 14518.5529 239.9840 -203738.9557 2655.4871 0.0000 0.0000 51963.5762 -109949.8640 298.6354 -161913.4402 -109584.2577 297.9293 -19.6944 10.2256 760733.2466 6.8302 6.8536 PRESSURE: 2845600 90.1925 -74.3412 153.127 -74.3413 181.166 241.667 153.127 241.666 223.522 GPRESSURE: 2845600 66.5687 -53.8442 30.3576 -70.4342 258.056 180.598 158.51 244.697 231.158 PRESSAVG: 2845600 31.6698 -4.3789 19.9029 -4.37892 -23.4133 -6.82166 19.9029 -6.82171 18.6843 GPRESSAVG: 2845600 30.8217 -3.45074 19.3849 -4.26754 -24.051 -8.98026 19.003 -6.00692 19.9635 TIMING: 2845600 CPU: 9064.11, 0.00315667/step Wall: 9064.11, 0.00315667/step, 1.88909 hours remaining, 235.105469 MB of memory in use. ENERGY: 2845600 4027.8754 20537.1534 14595.9573 246.2707 -204056.4937 2866.2151 0.0000 0.0000 52003.9357 -109779.0861 298.8673 -161783.0218 -109414.4136 298.3746 164.9603 185.2610 759888.8315 8.9803 8.9114 PRESSURE: 2845800 312.085 -57.3146 -40.15 -57.3157 -11.2529 102.325 -40.1507 102.326 -99.2855 GPRESSURE: 2845800 351.529 -34.3516 -15.8006 -163.863 50.2074 -12.3816 0.170046 -1.90308 -128.123 PRESSAVG: 2845800 48.2693 -47.0011 10.3112 -47.001 -39.4251 -41.3532 10.3112 -41.3532 -3.28034 GPRESSAVG: 2845800 47.9255 -47.0555 11.5192 -48.9994 -38.9242 -40.9444 12.6283 -40.4957 -2.81986 TIMING: 2845800 CPU: 9064.74, 0.00313219/step Wall: 9064.74, 0.00313219/step, 1.87427 hours remaining, 235.105469 MB of memory in use. ENERGY: 2845800 4059.1757 20491.2697 14384.6692 255.0371 -203351.9879 2381.1886 0.0000 0.0000 51859.8353 -109920.8123 298.0392 -161780.6475 -109559.7308 298.1928 67.1821 91.2044 759925.3209 1.8546 2.0605 PRESSURE: 2846000 297.893 -122.597 41.714 -122.597 200.475 -170.27 41.7152 -170.27 596.745 GPRESSURE: 2846000 311.898 -72.142 172.282 -102.855 247.942 -164.338 74.8178 -198.446 630.028 PRESSAVG: 2846000 68.6788 -39.4626 -0.926362 -39.4625 -84.5532 -40.4842 -0.926323 -40.4842 1.73378 GPRESSAVG: 2846000 68.1066 -39.1586 -2.41192 -36.5335 -83.3792 -40.1306 -1.85627 -40.6497 1.56802 TIMING: 2846000 CPU: 9065.36, 0.00312517/step Wall: 9065.36, 0.00312517/step, 1.86989 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2846000 3943.9977 20600.2332 14382.9490 236.6230 -203539.4146 2640.7023 0.0000 0.0000 51825.5573 -109909.3522 297.8422 -161734.9094 -109551.8309 297.8581 365.0377 396.6226 756791.0267 -4.7135 -4.5682 PRESSURE: 2846200 -53.6442 -222.802 120.959 -222.802 -419.609 -19.6401 120.96 -19.6388 179.199 GPRESSURE: 2846200 -87.4729 -243.783 174.353 -229.059 -228.009 -27.7751 3.33358 -3.16125 110.516 PRESSAVG: 2846200 -8.13945 -51.1615 2.43093 -51.1615 -29.6459 -25.4736 2.4309 -25.4736 -8.12602 GPRESSAVG: 2846200 -6.53678 -51.825 2.77807 -52.6833 -29.4808 -25.1496 2.15458 -26.3107 -9.38139 TIMING: 2846200 CPU: 9065.99, 0.0031124/step Wall: 9065.99, 0.0031124/step, 1.86208 hours remaining, 235.105469 MB of memory in use. ENERGY: 2846200 3968.4581 20601.4505 14430.9316 232.1398 -203377.3592 2335.6341 0.0000 0.0000 51829.9362 -109978.8090 297.8674 -161808.7452 -109622.4208 297.9898 -98.0178 -68.3220 759558.3066 -15.3038 -15.1330 PRESSURE: 2846400 116.212 187.454 109.814 187.454 -24.6189 43.6712 109.814 43.6709 461.299 GPRESSURE: 2846400 222.32 169.992 199.167 62.3033 42.0376 119.231 73.3438 -48.8457 353.64 PRESSAVG: 2846400 1.63015 -49.2784 17.5991 -49.2785 -43.9387 23.8987 17.5991 23.8987 5.83261 GPRESSAVG: 2846400 1.88357 -51.192 17.7335 -49.3803 -44.1969 21.388 17.2851 24.3445 5.88191 TIMING: 2846400 CPU: 9066.61, 0.0031067/step Wall: 9066.61, 0.0031067/step, 1.85849 hours remaining, 235.105469 MB of memory in use. ENERGY: 2846400 3974.1881 20451.2430 14395.6206 258.0969 -203370.4416 2617.1056 0.0000 0.0000 51890.1077 -109784.0798 298.2132 -161674.1875 -109421.8016 298.4592 184.2976 205.9994 759482.1982 -12.1586 -12.1438 PRESSURE: 2846600 126.024 -199.202 67.0971 -199.202 147.857 -13.1491 67.0968 -13.1505 -25.3051 GPRESSURE: 2846600 151.961 -28.363 119.441 -166.893 168.738 43.0492 -37.859 50.8479 -2.24527 PRESSAVG: 2846600 -37.0534 -72.9653 9.67273 -72.9653 58.9887 48.9679 9.67268 48.9679 -3.26358 GPRESSAVG: 2846600 -37.9838 -72.2881 10.731 -73.6289 59.0268 49.1063 11.6253 51.9726 -2.77788 TIMING: 2846600 CPU: 9067.23, 0.003097/step Wall: 9067.23, 0.003097/step, 1.85252 hours remaining, 235.105469 MB of memory in use. ENERGY: 2846600 3919.8580 20483.5918 14461.0918 240.1131 -203674.5515 2743.1292 0.0000 0.0000 51977.8504 -109848.9172 298.7174 -161826.7676 -109488.3862 298.7088 82.8587 106.1512 760874.1456 6.2239 6.0884 PRESSURE: 2846800 -392.318 -240.878 -171.648 -240.877 35.1219 -3.5613 -171.649 -3.56083 -123.1 GPRESSURE: 2846800 -384.275 -163.16 -238.943 -244.733 126.029 7.30543 -117.403 67.3252 -134.72 PRESSAVG: 2846800 54.6939 -55.8601 4.06875 -55.8602 -26.5412 -19.8211 4.06875 -19.821 -11.7007 GPRESSAVG: 2846800 54.2419 -54.9491 3.33481 -54.449 -26.8166 -18.3374 2.03353 -20.5819 -10.8305 TIMING: 2846800 CPU: 9067.85, 0.00311826/step Wall: 9067.85, 0.00311826/step, 1.86506 hours remaining, 235.105469 MB of memory in use. ENERGY: 2846800 4030.4104 20360.9540 14465.9896 245.3917 -203488.0558 2599.3023 0.0000 0.0000 51974.0039 -109812.0038 298.6953 -161786.0077 -109449.5494 298.9588 -160.0987 -130.9885 761287.7013 5.4840 5.5316 PRESSURE: 2847000 -301.657 149.743 -102.504 149.743 -246.926 9.18394 -102.505 9.18505 131.042 GPRESSURE: 2847000 -195.845 100.348 -125.255 161.525 -275.044 -36.0625 -69.9949 -53.0779 142.913 PRESSAVG: 2847000 -11.7244 -39.6542 -42.828 -39.6542 -50.0732 -2.10367 -42.8281 -2.10354 -3.59238 GPRESSAVG: 2847000 -10.3373 -38.1319 -42.0615 -39.0253 -50.6644 -1.65141 -42.2255 -4.55239 -4.65739 TIMING: 2847000 CPU: 9068.47, 0.00311739/step Wall: 9068.47, 0.00311739/step, 1.86437 hours remaining, 235.105469 MB of memory in use. ENERGY: 2847000 3985.8821 20365.4174 14424.9274 253.7826 -203179.4095 2340.8614 0.0000 0.0000 51960.3650 -109848.1737 298.6169 -161808.5387 -109491.0102 298.4546 -139.1803 -109.3253 761357.4690 -21.7966 -21.8864 PRESSURE: 2847200 433.324 -12.9525 12.758 -12.9524 104.37 363.85 12.7573 363.851 -66.1211 GPRESSURE: 2847200 450.846 35.2472 17.6353 -6.86833 188.595 430.917 0.390371 186.366 -54.6752 PRESSAVG: 2847200 6.90269 -17.5071 -48.4308 -17.5072 22.9491 21.2763 -48.4308 21.2763 -8.50224 GPRESSAVG: 2847200 6.81649 -20.2782 -49.8438 -16.2931 23.5045 21.4678 -48.1209 23.0513 -8.70591 TIMING: 2847200 CPU: 9069.1, 0.00311167/step Wall: 9069.1, 0.00311167/step, 1.86078 hours remaining, 235.105469 MB of memory in use. ENERGY: 2847200 4039.2921 20139.8100 14429.0201 263.4857 -203296.3593 2435.4706 0.0000 0.0000 51984.6957 -110004.5852 298.7568 -161989.2809 -109647.6141 298.4652 157.1909 194.9218 759588.6833 7.1165 7.2050 PRESSURE: 2847400 -3.32705 -43.786 73.6997 -43.785 275.594 76.361 73.6997 76.3607 30.6037 GPRESSURE: 2847400 62.2757 -68.2977 112.871 -5.93865 292.834 58.9355 106.107 10.8269 2.77705 PRESSAVG: 2847400 60.4295 -54.7768 9.83091 -54.7768 -61.6306 18.5001 9.83086 18.5001 19.6167 GPRESSAVG: 2847400 59.4998 -51.9559 9.34316 -57.0918 -61.5705 16.9401 10.6979 17.3559 19.9099 TIMING: 2847400 CPU: 9069.72, 0.00310409/step Wall: 9069.72, 0.00310409/step, 1.85608 hours remaining, 235.105469 MB of memory in use. ENERGY: 2847400 3941.5910 20516.5069 14469.8959 250.0670 -203560.2155 2620.1458 0.0000 0.0000 51940.0873 -109821.9215 298.5004 -161762.0088 -109467.6802 298.3761 100.9570 119.2957 760211.6382 6.1385 5.9464 PRESSURE: 2847600 108.15 -13.8998 117.085 -13.8991 -16.7017 -49.329 117.085 -49.3296 352.786 GPRESSURE: 2847600 130.864 -21.982 109.321 -118.94 61.1417 66.3993 -21.4581 -124.624 337.47 PRESSAVG: 2847600 16.3969 -60.2072 6.11034 -60.2072 -13.7917 -41.1399 6.11038 -41.1399 18.5391 GPRESSAVG: 2847600 15.7904 -59.9476 7.8945 -59.8241 -14.8365 -40.6537 3.65417 -40.3691 19.3331 TIMING: 2847600 CPU: 9070.34, 0.00310641/step Wall: 9070.34, 0.00310641/step, 1.85729 hours remaining, 235.105469 MB of memory in use. ENERGY: 2847600 3900.0989 20598.0175 14470.0803 264.3584 -203452.9145 2509.9398 0.0000 0.0000 51952.7589 -109757.6606 298.5732 -161710.4195 -109405.2548 298.1967 148.0779 176.4919 758906.9208 7.0481 6.7623 PRESSURE: 2847800 -299.07 -143.323 13.4129 -143.322 -237.138 -6.82001 13.413 -6.82015 -27.0417 GPRESSURE: 2847800 -195.308 -115.114 76.4157 -99.9894 -202.291 -75.6151 84.9864 145.674 -46.2876 PRESSAVG: 2847800 74.4158 -65.6186 23.3111 -65.6187 -57.9889 -80.3462 23.3111 -80.3462 -5.41293 GPRESSAVG: 2847800 74.666 -67.2476 22.9854 -64.9268 -56.6829 -80.644 23.7016 -80.2002 -6.73583 TIMING: 2847800 CPU: 9070.96, 0.00311465/step Wall: 9070.96, 0.00311465/step, 1.86204 hours remaining, 235.105469 MB of memory in use. ENERGY: 2847800 4028.0314 20394.2255 14435.5791 252.6635 -203242.5125 2446.5688 0.0000 0.0000 52154.7247 -109530.7195 299.7339 -161685.4442 -109166.1734 298.9234 -187.7496 -147.9622 760681.5881 3.6713 3.7491 PRESSURE: 2848000 252.493 -185.979 77.483 -185.979 118.824 196.468 77.484 196.468 -191.266 GPRESSURE: 2848000 240.918 -135.07 133.13 1.19378 186.117 147.108 18.0614 126.857 -151.519 PRESSAVG: 2848000 79.9824 -31.4048 -12.7121 -31.4048 -67.9833 -14.7432 -12.7122 -14.7431 -8.356 GPRESSAVG: 2848000 82.0105 -31.0586 -12.8426 -29.5476 -69.9117 -16.3008 -11.4418 -14.6522 -8.24768 TIMING: 2848000 CPU: 9071.59, 0.0031281/step Wall: 9071.59, 0.0031281/step, 1.86991 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2848000 4004.4184 20357.0166 14502.5070 256.1878 -203343.5737 2687.7246 0.0000 0.0000 51941.8174 -109593.9018 298.5103 -161535.7192 -109235.2857 298.5461 60.0169 91.8389 761987.1352 1.2144 1.2837 PRESSURE: 2848200 -49.9915 150.64 43.0798 150.641 -131.207 -62.5867 43.0795 -62.5874 -450.055 GPRESSURE: 2848200 35.6721 184.4 75.5413 131.854 -143.816 16.8726 141.624 67.8413 -416.456 PRESSAVG: 2848200 19.7466 -6.49352 39.0782 -6.49347 -61.8632 7.19462 39.0781 7.19459 -8.10771 GPRESSAVG: 2848200 17.2468 -6.09036 37.6281 -8.65602 -59.4779 8.91855 38.8619 6.69638 -7.82555 TIMING: 2848200 CPU: 9072.21, 0.00312194/step Wall: 9072.21, 0.00312194/step, 1.86606 hours remaining, 235.105469 MB of memory in use. ENERGY: 2848200 3996.4976 20475.2069 14407.2471 242.4008 -203070.1905 2600.7933 0.0000 0.0000 52107.5317 -109240.5131 299.4627 -161348.0449 -108874.4734 299.2286 -210.4178 -174.8666 762332.6385 -16.7414 -16.6856 LDB: ============= START OF LOAD BALANCING ============== 9084.63 LDB: ============== END OF LOAD BALANCING =============== 9084.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9084.63 LDB: ============= START OF LOAD BALANCING ============== 9084.94 LDB: Largest compute 7024 load 0.033871 is 17.3% of average load 0.195611 LDB: Average compute 0.004380 is 2.2% of average load 0.195611 LDB: TIME 9084.95 LOAD: AVG 0.195611 MAX 0.215833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 9084.95 LOAD: AVG 0.195611 MAX 0.215833 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 9084.95 LOAD: AVG 0.195611 MAX 0.215833 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 9084.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9084.95 PRESSURE: 2848400 78.2735 -86.5586 -36.0413 -86.5588 -255.511 -24.3685 -36.0421 -24.3691 -164.133 GPRESSURE: 2848400 211.883 -98.6474 -132.24 -73.1432 -357.147 25.6402 16.0537 -79.3931 -104.163 PRESSAVG: 2848400 68.4477 10.5541 -19.0984 10.554 -63.6805 28.8151 -19.0984 28.815 -10.2302 GPRESSAVG: 2848400 68.3749 10.0009 -18.9272 10.9256 -64.2786 28.2914 -19.0587 29.042 -9.83904 TIMING: 2848400 CPU: 9072.85, 0.00318045/step Wall: 9072.85, 0.00318045/step, 1.90085 hours remaining, 234.050781 MB of memory in use. ENERGY: 2848400 3958.0453 20479.1857 14462.8261 255.1873 -203025.7267 2541.3198 0.0000 0.0000 51998.5593 -109330.6031 298.8364 -161329.1624 -108975.3031 299.2543 -113.7900 -83.1426 761632.0441 -1.8210 -1.9143 PRESSURE: 2848600 -45.5479 271.896 29.6761 271.896 -459.782 31.1955 29.6758 31.1954 60.5417 GPRESSURE: 2848600 26.8074 127.353 46.3973 339.148 -445.982 -50.5519 -76.0186 -46.6949 50.5764 PRESSAVG: 2848600 52.1082 -25.7219 -11.5559 -25.7219 -56.6074 -34.8918 -11.5559 -34.8917 -14.3969 GPRESSAVG: 2848600 53.2651 -25.1664 -12.825 -29.5718 -57.6959 -34.0622 -12.5124 -35.954 -14.0733 TIMING: 2848600 CPU: 9073.47, 0.00311239/step Wall: 9073.47, 0.00311239/step, 1.86 hours remaining, 234.253906 MB of memory in use. ENERGY: 2848600 4033.5851 20363.5867 14435.4878 249.2004 -202781.7607 2370.8965 0.0000 0.0000 52012.2757 -109316.7285 298.9153 -161329.0042 -108961.4159 299.3213 -148.2627 -122.8660 762763.7926 -6.2987 -6.1680 PRESSURE: 2848800 -43.073 -32.1188 232.576 -32.1191 -93.0555 -6.86462 232.577 -6.86427 -292.118 GPRESSURE: 2848800 52.9826 -104.585 272.834 -18.0672 -115.209 34.9288 288.89 22.7691 -289.014 PRESSAVG: 2848800 94.3005 -61.7794 42.2252 -61.7795 -103.279 -11.7195 42.2251 -11.7195 16.0873 GPRESSAVG: 2848800 93.6135 -60.7975 43.6859 -59.4976 -102.822 -12.2261 43.4202 -10.6025 16.8575 TIMING: 2848800 CPU: 9074.09, 0.00311074/step Wall: 9074.09, 0.00311074/step, 1.85884 hours remaining, 234.523438 MB of memory in use. ENERGY: 2848800 4058.7688 20371.8200 14475.1044 222.3560 -203309.2856 2704.3005 0.0000 0.0000 52289.6245 -109187.3114 300.5092 -161476.9359 -108829.7254 299.3569 -142.7490 -117.0802 762172.2715 2.3696 2.5497 PRESSURE: 2849000 -107.682 -215.332 -135.905 -215.332 -289.417 -45.3579 -135.905 -45.3573 62.957 GPRESSURE: 2849000 -91.1437 -115.611 -180.538 -100.993 -183.12 -198.57 -146.37 59.3171 38.548 PRESSAVG: 2849000 47.4942 -73.8961 14.2725 -73.8961 -38.5382 -61.1037 14.2725 -61.1036 -3.40499 GPRESSAVG: 2849000 47.9688 -75.142 14.4479 -72.5283 -38.6677 -60.4113 15.7764 -59.9013 -3.94369 TIMING: 2849000 CPU: 9074.71, 0.00310312/step Wall: 9074.71, 0.00310312/step, 1.85411 hours remaining, 234.726562 MB of memory in use. ENERGY: 2849000 3986.6665 20399.2258 14360.5926 248.1816 -203150.3081 2663.2258 0.0000 0.0000 52241.4589 -109250.9569 300.2324 -161492.4159 -108893.4971 299.7095 -111.3807 -78.5718 762565.4407 1.8503 1.7858 PRESSURE: 2849200 328.685 37.8641 -11.7587 37.8642 -383.905 -30.9131 -11.7583 -30.9125 -208.707 GPRESSURE: 2849200 300.545 44.9072 41.7002 -71.3282 -286.763 24.991 -31.2276 -65.8423 -169.886 PRESSAVG: 2849200 41.0576 -27.6028 47.2831 -27.6029 13.3381 17.6973 47.283 17.6973 4.69271 GPRESSAVG: 2849200 40.6982 -26.9321 47.2892 -27.6695 14.08 15.8923 45.2186 15.3765 3.87366 TIMING: 2849200 CPU: 9075.33, 0.00311079/step Wall: 9075.33, 0.00311079/step, 1.85852 hours remaining, 234.726562 MB of memory in use. ENERGY: 2849200 3917.9723 20492.8584 14436.4448 235.7144 -203260.6917 2577.6421 0.0000 0.0000 52053.5150 -109546.5446 299.1523 -161600.0596 -109182.3506 299.0964 -87.9758 -52.0348 761023.0637 19.6961 19.5506 PRESSURE: 2849400 -122.202 -131.849 52.4342 -131.849 238.21 -78.9627 52.4339 -78.9637 225.967 GPRESSURE: 2849400 -26.8249 -143.707 17.868 -183.501 213.57 46.1205 129.196 -135.995 260.481 PRESSAVG: 2849400 -1.39745 -30.5685 -66.1415 -30.5684 5.14924 -17.6385 -66.1415 -17.6385 -10.9434 GPRESSAVG: 2849400 0.957613 -30.9492 -66.3752 -33.1492 2.62185 -15.3442 -65.4752 -16.9257 -10.9909 TIMING: 2849400 CPU: 9075.96, 0.00312552/step Wall: 9075.96, 0.00312552/step, 1.86715 hours remaining, 234.726562 MB of memory in use. ENERGY: 2849400 3924.0791 20399.7207 14426.4639 247.1539 -203235.0842 2689.0281 0.0000 0.0000 52169.5609 -109379.0776 299.8192 -161548.6385 -109010.5506 299.2613 113.9916 149.0756 762322.7669 -2.3972 -2.4705 PRESSURE: 2849600 -277.976 -15.4533 -20.285 -15.4526 -215.285 220.828 -20.2844 220.828 66.6564 GPRESSURE: 2849600 -235.371 28.3629 25.6296 26.9621 -203.445 123.353 -92.5708 229.396 119.206 PRESSAVG: 2849600 46.2227 3.50653 -12.1094 3.50656 -88.9038 -35.8599 -12.1094 -35.86 2.9292 GPRESSAVG: 2849600 43.8503 2.81753 -12.552 6.16478 -86.9023 -36.4932 -10.5198 -36.8916 3.39426 TIMING: 2849600 CPU: 9076.59, 0.00315947/step Wall: 9076.59, 0.00315947/step, 1.88726 hours remaining, 234.726562 MB of memory in use. ENERGY: 2849600 3952.1921 20486.3644 14420.2605 258.2394 -203078.6983 2461.9175 0.0000 0.0000 52021.3574 -109478.3669 298.9675 -161499.7243 -109118.2069 299.5995 -142.2014 -106.5366 762378.1184 -13.2506 -13.2192 PRESSURE: 2849800 274.016 35.2101 -177.849 35.2093 -19.9902 41.9839 -177.849 41.984 347.38 GPRESSURE: 2849800 227.791 25.845 -285.943 -19.6651 28.3885 -36.592 -265.515 106.986 425.628 PRESSAVG: 2849800 19.3464 -32.9191 -33.0123 -32.9192 -12.2417 -48.668 -33.0123 -48.6679 -10.3004 GPRESSAVG: 2849800 19.3216 -32.5196 -31.5368 -32.6238 -13.041 -48.7543 -35.2472 -46.8294 -9.74094 TIMING: 2849800 CPU: 9077.21, 0.00310853/step Wall: 9077.21, 0.00310853/step, 1.85666 hours remaining, 234.726562 MB of memory in use. ENERGY: 2849800 3966.7197 20404.9198 14469.1105 260.4726 -202904.4372 2328.2097 0.0000 0.0000 52121.5959 -109353.4090 299.5435 -161475.0049 -108996.9767 299.4155 200.4685 227.2691 761795.3985 -1.0653 -1.1534 PRESSURE: 2850000 182.466 -168.394 197.073 -168.394 -333.902 -37.1761 197.074 -37.1761 -370.27 GPRESSURE: 2850000 211.875 -175.411 198.89 -134.51 -235.38 25.0342 142.317 -0.848644 -430.796 PRESSAVG: 2850000 39.4264 36.3583 -55.9247 36.3584 -21.8765 10.6273 -55.9247 10.6274 9.03438 GPRESSAVG: 2850000 40.7709 34.4419 -57.2778 37.0885 -21.4916 10.2525 -54.2638 10.5196 7.5135 TIMING: 2850000 CPU: 9077.83, 0.00309846/step Wall: 9077.83, 0.00309846/step, 1.85047 hours remaining, 234.726562 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: 2850000 4048.1889 20486.2479 14410.8030 254.3731 -203215.7195 2529.4718 0.0000 0.0000 52282.4827 -109204.1522 300.4681 -161486.6349 -108836.1275 299.8822 -173.9022 -151.4335 761870.2391 8.8614 8.9309 PRESSURE: 2850200 402.757 -115.538 -64.2838 -115.539 123.022 -38.8526 -64.2846 -38.8514 284.033 GPRESSURE: 2850200 353.994 -138.2 -108.577 -161.303 162.166 -78.8556 -1.67658 0.250293 377.773 PRESSAVG: 2850200 13.4935 11.1673 8.93221 11.1673 -38.8598 -44.1896 8.93221 -44.1896 -23.3785 GPRESSAVG: 2850200 12.124 11.6314 8.94857 8.52134 -38.7306 -43.7924 6.79652 -44.953 -22.4642 TIMING: 2850200 CPU: 9078.45, 0.00311108/step Wall: 9078.45, 0.00311108/step, 1.85783 hours remaining, 234.726562 MB of memory in use. ENERGY: 2850200 4020.6154 20551.5129 14415.1540 239.6717 -203377.6963 2665.5088 0.0000 0.0000 52196.0576 -109289.1760 299.9715 -161485.2336 -108924.5439 300.1186 269.9376 297.9777 761321.1493 -16.2483 -16.3569 PRESSURE: 2850400 -198.001 -248.074 -258.42 -248.074 -16.1016 -99.5539 -258.421 -99.5539 69.4097 GPRESSURE: 2850400 -169.219 -133.449 -299.024 -252.922 -32.4028 -95.9524 -137.473 -141.685 144.976 PRESSAVG: 2850400 -14.3421 -59.5112 -10.2629 -59.5112 6.14467 35.9921 -10.2629 35.992 -8.50756 GPRESSAVG: 2850400 -14.1806 -57.0395 -8.91284 -62.2683 4.65585 36.6893 -8.74165 34.6754 -8.45616 TIMING: 2850400 CPU: 9079.08, 0.00311835/step Wall: 9079.08, 0.00311835/step, 1.862 hours remaining, 234.726562 MB of memory in use. ENERGY: 2850400 4035.5985 20516.3394 14436.2006 238.8852 -203570.7408 2799.7667 0.0000 0.0000 52195.3277 -109348.6227 299.9673 -161543.9504 -108991.5846 299.5212 -48.2311 -18.8820 760954.1420 -5.5683 -5.9937 PRESSURE: 2850600 -279.555 68.6006 -93.9833 68.6005 84.5541 -195.084 -93.9834 -195.085 -29.9726 GPRESSURE: 2850600 -274.675 69.5718 -9.24844 -42.1956 147.829 -183.355 18.6018 -120.847 3.40513 PRESSAVG: 2850600 79.9585 -69.5647 -21.2203 -69.5648 -36.977 -17.2583 -21.2203 -17.2582 1.25503 GPRESSAVG: 2850600 80.7361 -70.9914 -21.974 -68.1226 -37.9539 -18.787 -20.8713 -15.537 2.12366 TIMING: 2850600 CPU: 9079.71, 0.00315778/step Wall: 9079.71, 0.00315778/step, 1.88537 hours remaining, 234.726562 MB of memory in use. ENERGY: 2850600 4006.7764 20621.6729 14364.5411 228.8233 -202988.2293 2342.9103 0.0000 0.0000 51987.6433 -109435.8620 298.7737 -161423.5053 -109081.7821 299.4983 -74.9912 -41.1469 761956.4920 14.7455 14.9686 PRESSURE: 2850800 134.385 -81.6108 77.6201 -81.6104 125.95 428.892 77.6196 428.893 49.6704 GPRESSURE: 2850800 147.864 69.2836 53.6059 -101.755 223.57 511.099 38.0627 364.494 29.9205 PRESSAVG: 2850800 56.1084 -52.1249 -5.74757 -52.1249 -51.1372 -0.59668 -5.74758 -0.59661 16.2839 GPRESSAVG: 2850800 55.1801 -51.7621 -4.23203 -51.3513 -48.7701 0.665879 -7.02879 -0.93192 15.0107 TIMING: 2850800 CPU: 9080.34, 0.00314636/step Wall: 9080.34, 0.00314636/step, 1.87838 hours remaining, 234.726562 MB of memory in use. ENERGY: 2850800 3964.2990 20463.6399 14435.6323 255.7320 -203499.5478 2714.2882 0.0000 0.0000 52118.1677 -109547.7888 299.5238 -161665.9565 -109189.2766 299.0140 103.3350 133.7848 760103.0328 7.0850 7.1402 PRESSURE: 2851000 -75.3807 42.122 279.548 42.122 34.8346 -61.9232 279.548 -61.9238 -80.6451 GPRESSURE: 2851000 -27.8742 12.7325 273.823 11.8347 82.7838 78.6323 106.788 -11.1311 -90.4098 PRESSAVG: 2851000 118.465 -48.262 -43.6961 -48.262 -88.5865 21.9685 -43.6962 21.9685 -19.3747 GPRESSAVG: 2851000 118.112 -48.921 -44.1804 -47.1838 -89.7029 21.1054 -44.0423 21.6616 -17.9322 TIMING: 2851000 CPU: 9080.96, 0.00312156/step Wall: 9080.96, 0.00312156/step, 1.8634 hours remaining, 234.726562 MB of memory in use. ENERGY: 2851000 3957.5743 20571.5783 14489.7851 224.0982 -203463.0516 2610.1254 0.0000 0.0000 51884.8130 -109725.0773 298.1827 -161609.8903 -109369.5508 298.7814 -40.3971 -11.8334 760516.4895 3.5012 3.4924 PRESSURE: 2851200 2.60387 -61.0205 -101.023 -61.0205 -131.348 -35.2529 -101.023 -35.2523 140.491 GPRESSURE: 2851200 21.599 -143.877 -34.5364 -62.5396 -93.3507 -33.7368 -58.0125 -148.027 155.027 PRESSAVG: 2851200 55.6846 -25.1129 -83.9138 -25.1129 -86.8527 19.1716 -83.9137 19.1716 24.9543 GPRESSAVG: 2851200 56.6021 -25.0494 -83.638 -27.8986 -86.0811 20.1223 -84.3838 18.2924 23.8728 TIMING: 2851200 CPU: 9081.59, 0.00312738/step Wall: 9081.59, 0.00312738/step, 1.8667 hours remaining, 234.726562 MB of memory in use. ENERGY: 2851200 4024.9686 20476.4660 14405.2583 257.0300 -203160.3087 2594.7963 0.0000 0.0000 51836.1105 -109565.6790 297.9028 -161401.7895 -109217.9531 298.8253 3.9156 27.7583 760811.1499 -2.0713 -1.8687 PRESSURE: 2851400 -102.733 -148.876 -47.6811 -148.875 -226.435 -112.346 -47.6797 -112.347 -635.404 GPRESSURE: 2851400 -84.4435 -38.51 -86.8801 -220.504 -170.222 -143.633 -90.9603 25.5155 -618.956 PRESSAVG: 2851400 47.1954 -31.812 -25.852 -31.812 -72.2317 0.0041792 -25.852 0.00424966 -0.86834 GPRESSAVG: 2851400 46.3517 -31.3962 -26.9448 -29.9017 -71.449 -0.289755 -25.0752 1.49984 -1.04195 TIMING: 2851400 CPU: 9082.21, 0.00311571/step Wall: 9082.21, 0.00311571/step, 1.85956 hours remaining, 234.726562 MB of memory in use. ENERGY: 2851400 4068.5911 20464.0769 14422.8201 254.3280 -202972.2252 2257.7329 0.0000 0.0000 51713.3130 -109791.3632 297.1971 -161504.6762 -109430.5140 298.9365 -321.5241 -291.2070 762084.2576 -8.6349 -8.7131 PRESSURE: 2851600 -84.0566 -303.969 -153.907 -303.968 210.867 109.954 -153.908 109.953 58.6217 GPRESSURE: 2851600 -27.6388 -312.55 -162.553 -292.647 227.722 29.4398 2.76607 48.9195 58.4656 PRESSAVG: 2851600 43.7559 -13.9066 -20.7123 -13.9066 -11.8524 24.3114 -20.7122 24.3114 12.504 GPRESSAVG: 2851600 44.0262 -13.6441 -20.6586 -14.4465 -11.9203 23.8262 -18.4576 22.2295 12.4398 TIMING: 2851600 CPU: 9082.84, 0.00312932/step Wall: 9082.84, 0.00312932/step, 1.86751 hours remaining, 234.726562 MB of memory in use. ENERGY: 2851600 3977.1881 20535.1368 14431.7860 234.1722 -204158.7069 3096.6315 0.0000 0.0000 52026.8626 -109856.9297 298.9991 -161883.7923 -109495.9900 299.0006 61.8107 86.1830 760166.0349 14.8025 14.8485 PRESSURE: 2851800 294.187 -59.1762 216.446 -59.1767 -215.901 -115.968 216.446 -115.967 -44.4366 GPRESSURE: 2851800 309.696 -10.4605 195.767 -136.349 -184.45 -93.4796 226.939 -120.926 -0.474475 PRESSAVG: 2851800 61.8918 2.0037 -22.6382 2.00364 -44.4089 10.6859 -22.6381 10.6859 -4.958 GPRESSAVG: 2851800 60.879 0.625093 -21.9062 1.42927 -43.7696 8.48798 -26.1916 13.8274 -4.70561 TIMING: 2851800 CPU: 9083.46, 0.00310371/step Wall: 9083.46, 0.00310371/step, 1.85205 hours remaining, 234.726562 MB of memory in use. ENERGY: 2851800 3975.7104 20390.3109 14369.1990 241.2084 -203680.8375 2516.1655 0.0000 0.0000 52031.2637 -110156.9795 299.0244 -162188.2431 -109784.3291 298.9020 11.2831 41.5904 758763.0831 4.1750 4.1346 PRESSURE: 2852000 -132.161 117.957 53.3573 117.958 -335.284 135.236 53.3566 135.236 84.2322 GPRESSURE: 2852000 -76.3438 49.0926 -23.886 126.866 -324.011 114.702 -62.5147 152.856 93.1703 PRESSAVG: 2852000 97.1852 30.518 -27.0628 30.5181 -50.4537 35.8559 -27.0628 35.8559 -6.28941 GPRESSAVG: 2852000 99.082 31.3157 -28.3904 29.7926 -52.7248 35.9712 -23.4394 35.902 -5.94843 TIMING: 2852000 CPU: 9084.08, 0.00310541/step Wall: 9084.08, 0.00310541/step, 1.85289 hours remaining, 234.726562 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: 2852000 3988.5818 20634.9173 14383.5330 219.1296 -203600.9844 2510.6945 0.0000 0.0000 51852.6787 -110011.4496 297.9981 -161864.1282 -109649.9434 298.2825 -127.7377 -102.3948 761338.9312 13.4807 13.4696 PRESSURE: 2852200 170.513 -30.6637 -161.696 -30.6645 95.7695 93.2604 -161.697 93.2607 177.1 GPRESSURE: 2852200 195.614 -11.6896 -249.898 -32.8507 135.734 53.9568 -226.239 -52.7714 199.459 PRESSAVG: 2852200 -10.761 -40.7496 -29.0964 -40.7497 10.228 -21.8022 -29.0964 -21.8022 -0.0991354 GPRESSAVG: 2852200 -11.4546 -41.3835 -30.1321 -36.8558 11.9513 -20.1568 -30.0302 -24.3786 -0.784604 TIMING: 2852200 CPU: 9084.7, 0.00311302/step Wall: 9084.7, 0.00311302/step, 1.85727 hours remaining, 234.726562 MB of memory in use. ENERGY: 2852200 3946.0532 20437.4938 14414.6738 247.0488 -203726.1400 2613.3664 0.0000 0.0000 52149.9707 -109917.5334 299.7066 -162067.5041 -109551.5749 298.6386 147.7939 176.9356 760588.1313 -0.2107 -0.0960 LDB: ============= START OF LOAD BALANCING ============== 9097.12 LDB: ============== END OF LOAD BALANCING =============== 9097.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9097.12 LDB: ============= START OF LOAD BALANCING ============== 9097.44 LDB: Largest compute 7025 load 0.035346 is 18.1% of average load 0.195414 LDB: Average compute 0.004386 is 2.2% of average load 0.195414 LDB: TIME 9097.44 LOAD: AVG 0.195414 MAX 0.216287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.281 MB LDB: TIME 9097.44 LOAD: AVG 0.195414 MAX 0.216287 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.281 MB LDB: TIME 9097.44 LOAD: AVG 0.195414 MAX 0.216287 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.281 MB LDB: ============== END OF LOAD BALANCING =============== 9097.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9097.45 PRESSURE: 2852400 -240.364 -62.1208 12.3546 -62.1206 -37.6658 -138.647 12.3553 -138.647 -258.11 GPRESSURE: 2852400 -263.104 79.1493 60.5795 -70.7447 33.0593 -166.959 33.3516 -115.862 -218.963 PRESSAVG: 2852400 -3.27802 -61.5295 5.81489 -61.5295 -45.3742 30.0501 5.81491 30.0501 -40.5181 GPRESSAVG: 2852400 -3.00617 -61.1288 8.67877 -63.1411 -45.7565 28.4272 3.97429 31.4534 -40.3664 TIMING: 2852400 CPU: 9085.34, 0.00318811/step Wall: 9085.34, 0.00318811/step, 1.90189 hours remaining, 234.847656 MB of memory in use. ENERGY: 2852400 3910.4591 20645.3227 14384.9554 243.6183 -203402.0945 2435.2471 0.0000 0.0000 52081.9555 -109700.5363 299.3157 -161782.4919 -109348.4449 298.4888 -178.7132 -149.6692 761886.9943 -29.7235 -29.7097 PRESSURE: 2852600 142.811 87.4583 -177.357 87.4588 -14.4619 217.514 -177.358 217.515 256.422 GPRESSURE: 2852600 147.216 37.4128 -114.79 74.6428 -21.1355 223.159 -202.531 313.948 338.536 PRESSAVG: 2852600 66.391 -9.5413 46.9921 -9.54124 -33.0615 22.2663 46.9921 22.2663 -5.66988 GPRESSAVG: 2852600 66.6459 -9.08366 45.7598 -10.0427 -34.6028 23.4719 49.2502 22.5728 -4.57979 TIMING: 2852600 CPU: 9085.97, 0.00314249/step Wall: 9085.97, 0.00314249/step, 1.8745 hours remaining, 235.050781 MB of memory in use. ENERGY: 2852600 4015.0326 20299.3169 14459.1254 247.8784 -203319.3052 2592.2047 0.0000 0.0000 52076.6652 -109629.0818 299.2853 -161705.7471 -109275.2923 299.2571 128.2572 154.8722 760283.5587 9.2199 9.1544 PRESSURE: 2852800 155.854 7.60784 102.217 7.6081 -57.0896 49.6616 102.216 49.6608 330.873 GPRESSURE: 2852800 153.275 11.3817 140.034 -1.71906 13.8606 17.2511 93.8018 52.569 336.94 PRESSAVG: 2852800 59.1398 8.52524 42.7886 8.52529 -72.9008 24.361 42.7886 24.361 12.093 GPRESSAVG: 2852800 57.9604 7.17437 44.5698 7.62032 -71.0375 24.0914 38.8282 25.2144 11.2777 TIMING: 2852800 CPU: 9086.59, 0.0031274/step Wall: 9086.59, 0.0031274/step, 1.86532 hours remaining, 235.050781 MB of memory in use. ENERGY: 2852800 4024.0692 20454.5107 14471.3420 246.1412 -203927.0316 2892.6834 0.0000 0.0000 52195.3086 -109642.9765 299.9672 -161838.2851 -109281.7120 299.1952 143.2127 168.0250 760765.4812 -0.5560 -0.5998 PRESSURE: 2853000 24.5831 143.54 102.334 143.54 -211.551 -257.253 102.335 -257.252 -65.7899 GPRESSURE: 2853000 61.4494 85.3423 124.699 240.723 -100.404 -202.033 104.848 -255.084 -123.676 PRESSAVG: 2853000 70.8179 -21.802 16.6409 -21.8021 -54.179 1.15446 16.6409 1.15443 -5.35191 GPRESSAVG: 2853000 70.9938 -22.2761 14.851 -19.5247 -53.7459 2.45346 19.6911 -0.242695 -5.72678 TIMING: 2853000 CPU: 9087.22, 0.00311201/step Wall: 9087.22, 0.00311201/step, 1.85597 hours remaining, 235.050781 MB of memory in use. ENERGY: 2853000 3994.4410 20621.0172 14400.0275 247.0866 -203482.2295 2563.6726 0.0000 0.0000 51915.2457 -109740.7389 298.3576 -161655.9846 -109385.4870 299.0300 -84.2526 -54.2100 760958.7049 3.7623 3.8404 PRESSURE: 2853200 -107.713 -45.7688 -72.4898 -45.768 -255.563 313.761 -72.4905 313.761 89.7557 GPRESSURE: 2853200 -106.075 -111.722 -72.268 -89.4861 -203.545 372.842 -185.194 265.812 121.33 PRESSAVG: 2853200 40.6057 -16.9813 8.7254 -16.9813 -32.8529 26.053 8.72546 26.053 9.55716 GPRESSAVG: 2853200 40.398 -15.4973 8.52063 -16.3256 -33.7518 24.6744 8.06329 25.222 10.7238 TIMING: 2853200 CPU: 9087.84, 0.00311356/step Wall: 9087.84, 0.00311356/step, 1.85672 hours remaining, 235.050781 MB of memory in use. ENERGY: 2853200 4047.9500 20506.7699 14419.6462 268.4463 -204072.1855 2982.1822 0.0000 0.0000 52471.4297 -109375.7611 301.5540 -161847.1909 -109018.3967 299.4636 -91.1734 -62.7635 760802.0004 5.7700 5.7900 PRESSURE: 2853400 -0.334448 -18.0403 218.009 -18.0414 -342.289 -236.199 218.009 -236.198 179.879 GPRESSURE: 2853400 27.2779 -55.3086 223.186 46.4437 -322.105 -211.304 211.067 -253.635 239.691 PRESSAVG: 2853400 44.9679 -38.6976 5.96211 -38.6976 -28.6522 -17.7764 5.96212 -17.7764 1.33117 GPRESSAVG: 2853400 44.9314 -37.6915 7.24443 -41.4359 -28.242 -17.4641 6.21884 -17.2501 0.931259 TIMING: 2853400 CPU: 9088.46, 0.00312101/step Wall: 9088.46, 0.00312101/step, 1.86099 hours remaining, 235.050781 MB of memory in use. ENERGY: 2853400 4095.4805 20592.8207 14452.0356 233.7509 -203354.8292 2766.0563 0.0000 0.0000 51912.3377 -109302.3476 298.3409 -161214.6853 -108942.5196 300.2293 -54.2481 -18.3787 761778.1465 5.8823 5.8736 PRESSURE: 2853600 -96.8536 136.467 -38.5832 136.466 91.0656 -199.735 -38.5839 -199.735 -375.144 GPRESSURE: 2853600 5.31863 132.158 26.2474 101.021 0.756421 -149.886 -4.2209 -258.369 -305.75 PRESSAVG: 2853600 2.66405 1.42895 36.5583 1.42903 -0.344093 -34.9237 36.5583 -34.9236 9.42728 GPRESSAVG: 2853600 1.98107 1.00496 36.2997 1.84117 0.193955 -33.3285 38.6647 -36.052 10.238 TIMING: 2853600 CPU: 9089.09, 0.0031142/step Wall: 9089.09, 0.0031142/step, 1.85676 hours remaining, 235.050781 MB of memory in use. ENERGY: 2853600 3958.0604 20497.6794 14515.3931 240.3355 -203145.7528 2325.5094 0.0000 0.0000 52402.8420 -109205.9330 301.1599 -161608.7750 -108836.3588 300.1215 -126.9774 -99.8917 760006.0096 3.9157 4.1377 PRESSURE: 2853800 -151.182 -127.036 165.213 -127.034 14.019 169.416 165.213 169.415 -111.844 GPRESSURE: 2853800 -48.1817 15.767 119.196 -20.4851 -76.1161 164.293 126.937 197.519 -34.2157 PRESSAVG: 2853800 38.9586 -7.76598 -30.4845 -7.76602 -28.5644 -48.6858 -30.4845 -48.6858 11.7807 GPRESSAVG: 2853800 40.3642 -10.1982 -29.8545 -8.28801 -30.21 -48.127 -35.3947 -47.5096 12.1261 TIMING: 2853800 CPU: 9089.71, 0.00313009/step Wall: 9089.71, 0.00313009/step, 1.86606 hours remaining, 235.050781 MB of memory in use. ENERGY: 2853800 3992.4164 20464.9433 14524.6143 263.6949 -203033.9100 2572.7520 0.0000 0.0000 52108.8137 -109106.6755 299.4701 -161215.4892 -108732.3882 299.9969 -83.0022 -52.8378 761756.6201 7.3917 7.4268 PRESSURE: 2854000 171.339 -138.814 -118.884 -138.814 107.95 141.336 -118.884 141.336 285.92 GPRESSURE: 2854000 170.552 -229.451 -74.7133 -107.336 125.839 112.009 -133.261 157.324 354.869 PRESSAVG: 2854000 25.3325 -58.5878 10.1012 -58.5878 -40.4993 16.4225 10.1012 16.4225 -2.18155 GPRESSAVG: 2854000 25.6732 -56.9268 9.77604 -58.0644 -40.9019 13.5508 12.4008 17.4367 -2.0377 TIMING: 2854000 CPU: 9090.34, 0.00312063/step Wall: 9090.34, 0.00312063/step, 1.86024 hours remaining, 235.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2854000 4067.4454 20423.7490 14520.1484 235.9626 -202918.4658 2305.0975 0.0000 0.0000 52250.2104 -109115.8526 300.2827 -161366.0630 -108754.2742 300.2804 188.4033 217.0867 761446.8836 -5.7828 -5.7555 PRESSURE: 2854200 437.632 141.332 -72.4345 141.332 -114.866 -65.3377 -72.4343 -65.3376 246.237 GPRESSURE: 2854200 367.164 35.6002 -76.6102 110.304 63.8586 23.4357 -72.447 -133.013 224.868 PRESSAVG: 2854200 46.0264 -7.83696 -36.6901 -7.83696 -77.912 23.7722 -36.6901 23.7722 10.7662 GPRESSAVG: 2854200 48.0274 -7.77613 -37.0807 -6.87927 -78.3586 26.7532 -36.1772 21.2029 9.55452 TIMING: 2854200 CPU: 9090.97, 0.00314734/step Wall: 9090.97, 0.00314734/step, 1.87599 hours remaining, 235.050781 MB of memory in use. ENERGY: 2854200 3964.9698 20656.1975 14448.0199 230.8279 -203161.6181 2504.9815 0.0000 0.0000 52380.0558 -108976.5657 301.0289 -161356.6215 -108612.6836 300.6933 189.6675 218.6302 761690.9092 -7.0398 -6.9256 PRESSURE: 2854400 524.163 -309.145 10.1537 -309.145 397.78 100.607 10.1544 100.607 330.017 GPRESSURE: 2854400 541.942 -353.867 37.0177 -321.353 434.558 150.473 130.512 -27.1052 343.209 PRESSAVG: 2854400 -9.8012 -5.44522 34.0347 -5.44523 -44.7754 -17.207 34.0347 -17.2069 20.0438 GPRESSAVG: 2854400 -9.78739 -6.66985 34.1919 -6.98197 -45.2099 -19.3961 31.6321 -16.4593 20.5178 TIMING: 2854400 CPU: 9091.59, 0.00313771/step Wall: 9091.59, 0.00313771/step, 1.87007 hours remaining, 235.050781 MB of memory in use. ENERGY: 2854400 3927.2365 20714.1352 14463.4591 232.2884 -203428.5764 2866.5516 0.0000 0.0000 52265.0075 -108959.8981 300.3677 -161224.9056 -108597.9250 300.3526 417.3200 439.9031 760826.9336 -11.5109 -11.4932 PRESSURE: 2854600 242.812 -81.5586 150.874 -81.558 -132.835 72.0084 150.875 72.0081 204.745 GPRESSURE: 2854600 145.715 -65.3922 245.682 -75.0961 63.6718 52.8707 174.127 101.448 197.728 PRESSAVG: 2854600 -5.58977 -40.1054 24.5719 -40.1054 38.5106 1.11991 24.5719 1.11984 7.536 GPRESSAVG: 2854600 -6.10777 -40.6788 23.3941 -40.0624 39.5671 2.10516 27.9915 1.54944 7.00382 TIMING: 2854600 CPU: 9092.22, 0.00312073/step Wall: 9092.22, 0.00312073/step, 1.85978 hours remaining, 235.050781 MB of memory in use. ENERGY: 2854600 3916.3198 20395.5114 14430.8506 261.8843 -202780.6390 2538.6249 0.0000 0.0000 52177.4238 -109060.0243 299.8644 -161237.4481 -108701.8232 300.4872 104.9074 135.7048 762163.1291 13.4856 13.4877 PRESSURE: 2854800 -73.3808 108.719 -161.743 108.719 -120.58 -52.5277 -161.743 -52.5285 -126.295 GPRESSURE: 2854800 2.07565 21.8413 -199.84 -11.9383 -123.11 47.3468 -217.69 -59.9542 -107.525 PRESSAVG: 2854800 13.3745 -42.181 -28.4843 -42.181 -20.486 14.3112 -28.4843 14.3112 -11.3843 GPRESSAVG: 2854800 12.0234 -41.4881 -27.5414 -41.5087 -20.1089 14.4266 -29.8071 13.5137 -10.4284 TIMING: 2854800 CPU: 9092.85, 0.00314553/step Wall: 9092.85, 0.00314553/step, 1.87438 hours remaining, 235.050781 MB of memory in use. ENERGY: 2854800 4022.3562 20562.4121 14452.1081 251.4852 -202747.4255 2333.7889 0.0000 0.0000 52164.5722 -108960.7027 299.7905 -161125.2749 -108600.8604 300.0929 -106.7521 -76.1867 762474.1732 -6.1653 -6.1713 PRESSURE: 2855000 56.787 277.846 230.622 277.846 -35.7224 -22.0369 230.622 -22.0361 -168.717 GPRESSURE: 2855000 121.126 144.341 298.47 91.4431 12.2166 -2.8455 114.278 122.955 -203.082 PRESSAVG: 2855000 2.67093 31.7653 -13.8657 31.7653 12.2845 -24.8011 -13.8658 -24.801 22.7041 GPRESSAVG: 2855000 2.26273 31.536 -13.4323 31.0049 12.3243 -24.6484 -13.8475 -25.3977 22.9245 TIMING: 2855000 CPU: 9093.47, 0.00312781/step Wall: 9093.47, 0.00312781/step, 1.86365 hours remaining, 235.050781 MB of memory in use. ENERGY: 2855000 3991.9153 20700.5123 14530.4210 219.5847 -203133.3492 2453.5470 0.0000 0.0000 52233.4137 -109003.9552 300.1861 -161237.3689 -108646.9895 300.1890 -49.2174 -23.2465 761505.3347 12.5532 12.5038 PRESSURE: 2855200 24.1772 152.46 -164.294 152.46 -303.272 2.28065 -164.294 2.27976 191.153 GPRESSURE: 2855200 27.6755 110.709 -148.112 54.6493 -290.564 -31.6888 -72.1853 24.1314 275.68 PRESSAVG: 2855200 36.6184 21.8519 -18.3297 21.8518 -52.2485 18.0839 -18.3297 18.0839 31.5243 GPRESSAVG: 2855200 36.8616 20.9252 -20.1253 22.6191 -51.7997 16.0899 -17.5584 19.8198 31.0474 TIMING: 2855200 CPU: 9094.1, 0.00312434/step Wall: 9094.1, 0.00312434/step, 1.86141 hours remaining, 235.050781 MB of memory in use. ENERGY: 2855200 3997.3778 20669.7955 14428.6480 216.8412 -203470.5586 2736.7899 0.0000 0.0000 52304.1661 -109116.9400 300.5928 -161421.1061 -108758.2162 300.3287 -29.3138 4.2636 761025.7750 5.2981 5.3698 PRESSURE: 2855400 -144.721 -80.1584 -22.3197 -80.158 -164.597 -5.41861 -22.32 -5.41821 26.5929 GPRESSURE: 2855400 -141.491 52.315 -47.7531 -8.07285 -128.389 -26.3015 -27.6766 91.3285 77.0524 PRESSAVG: 2855400 70.096 -29.411 -34.189 -29.4111 -80.3154 9.75395 -34.1891 9.75385 3.85069 GPRESSAVG: 2855400 70.1955 -28.8764 -32.9113 -29.2954 -81.1018 10.6892 -34.3283 7.98452 4.67158 TIMING: 2855400 CPU: 9094.72, 0.00312816/step Wall: 9094.72, 0.00312816/step, 1.86351 hours remaining, 235.050781 MB of memory in use. ENERGY: 2855400 3903.9376 20587.1258 14469.6830 250.1412 -203177.0998 2505.3253 0.0000 0.0000 52150.5757 -109310.3112 299.7101 -161460.8869 -108946.0922 299.7210 -94.2419 -64.2758 761241.8672 -2.1229 -2.0782 PRESSURE: 2855600 193.613 64.8442 19.1709 64.8445 -165.586 -17.6918 19.1693 -17.6919 -62.5319 GPRESSURE: 2855600 168.681 62.1449 -3.8937 -2.24223 -118.558 60.1824 -52.1295 -52.442 -5.55343 PRESSAVG: 2855600 69.1113 6.07243 -7.70623 6.07234 -35.0506 -6.15384 -7.70632 -6.15375 -11.6114 GPRESSAVG: 2855600 68.8342 5.32507 -7.22569 4.72025 -35.6554 -3.66723 -6.34325 -6.54 -11.4128 TIMING: 2855600 CPU: 9095.35, 0.00311956/step Wall: 9095.35, 0.00311956/step, 1.85822 hours remaining, 235.050781 MB of memory in use. ENERGY: 2855600 4082.7504 20483.5790 14506.0628 270.0094 -203177.8196 2171.2364 0.0000 0.0000 52269.5772 -109394.6044 300.3940 -161664.1815 -109034.1625 299.7487 -11.5016 14.8567 759692.5330 7.4831 7.2554 PRESSURE: 2855800 -165.82 -45.3569 30.7937 -45.3567 -81.1015 162.581 30.7943 162.582 -594.067 GPRESSURE: 2855800 -227.664 8.79994 -6.69681 46.2904 -22.9904 248.543 174.159 116.379 -495.161 PRESSAVG: 2855800 52.3641 6.23623 -23.9095 6.23623 7.17171 35.8805 -23.9096 35.8804 -22.0928 GPRESSAVG: 2855800 52.7764 7.32257 -23.9576 6.07237 7.00251 32.3062 -25.322 38.0506 -22.7905 TIMING: 2855800 CPU: 9095.97, 0.00310839/step Wall: 9095.97, 0.00310839/step, 1.85139 hours remaining, 235.050781 MB of memory in use. ENERGY: 2855800 4011.7127 20594.4545 14510.3958 261.3621 -203044.9129 2253.0410 0.0000 0.0000 52127.4754 -109286.4715 299.5773 -161413.9469 -108919.4455 299.9112 -280.3293 -248.6054 760969.6239 12.4810 12.3294 PRESSURE: 2856000 46.4451 -101.343 -82.5118 -101.343 56.2475 -34.8833 -82.5121 -34.8822 -57.0041 GPRESSURE: 2856000 172.342 -183.757 7.65163 -97.3737 31.9757 -100.421 -108.263 49.6322 -60.2533 PRESSAVG: 2856000 77.4752 -39.4652 -29.5062 -39.4652 -36.2176 39.9995 -29.5062 39.9996 8.06244 GPRESSAVG: 2856000 77.4482 -38.9946 -29.764 -38.3159 -36.7266 39.9157 -28.0954 39.32 8.34689 TIMING: 2856000 CPU: 9096.59, 0.00311382/step Wall: 9096.59, 0.00311382/step, 1.85445 hours remaining, 235.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2856000 3976.7767 20581.4770 14489.5816 244.7280 -203276.3282 2513.4165 0.0000 0.0000 52075.1491 -109395.1994 299.2766 -161470.3485 -109031.1794 299.5726 15.2295 48.0214 760989.6933 16.4400 16.3562 PRESSURE: 2856200 50.2774 64.6502 -102.111 64.65 -172.764 9.26322 -102.111 9.26294 303.166 GPRESSURE: 2856200 144.603 64.2336 -117.218 98.403 -159.461 -26.2872 -104.473 -29.968 277.833 PRESSAVG: 2856200 65.9516 22.9727 -39.3302 22.9726 -12.1059 6.59514 -39.3301 6.59507 14.9981 GPRESSAVG: 2856200 66.1419 22.6612 -39.6788 21.3879 -12.2774 7.34054 -39.182 7.93763 14.7362 TIMING: 2856200 CPU: 9097.22, 0.00313055/step Wall: 9097.22, 0.00313055/step, 1.86424 hours remaining, 235.050781 MB of memory in use. ENERGY: 2856200 3965.4567 20604.5485 14516.7744 250.1693 -203261.3020 2505.4936 0.0000 0.0000 52171.0127 -109247.8468 299.8275 -161418.8594 -108885.3855 300.0151 60.2265 87.6583 761246.6913 22.9479 22.8669 LDB: ============= START OF LOAD BALANCING ============== 9109.64 LDB: ============== END OF LOAD BALANCING =============== 9109.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9109.64 LDB: ============= START OF LOAD BALANCING ============== 9109.95 LDB: Largest compute 7025 load 0.033674 is 17.2% of average load 0.195440 LDB: Average compute 0.004405 is 2.3% of average load 0.195440 LDB: TIME 9109.96 LOAD: AVG 0.19544 MAX 0.219041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 9109.96 LOAD: AVG 0.19544 MAX 0.219041 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: TIME 9109.96 LOAD: AVG 0.19544 MAX 0.217842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: ============== END OF LOAD BALANCING =============== 9109.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9109.96 PRESSURE: 2856400 -26.1712 47.0165 -43.1684 47.0164 88.122 -13.9387 -43.1685 -13.9391 114.064 GPRESSURE: 2856400 1.35039 82.5069 -76.7666 -59.6778 109.154 7.48621 -36.5366 -45.7306 150.749 PRESSAVG: 2856400 -12.5817 -34.9307 17.4624 -34.9307 -0.713999 19.7734 17.4624 19.7734 16.8513 GPRESSAVG: 2856400 -12.9188 -34.1415 16.8348 -37.3842 0.0651839 19.6919 18.5614 19.0477 16.4205 TIMING: 2856400 CPU: 9097.86, 0.00319823/step Wall: 9097.86, 0.00319823/step, 1.90437 hours remaining, 233.562500 MB of memory in use. ENERGY: 2856400 4001.1839 20646.6206 14477.2894 265.1245 -203608.4778 2781.8137 0.0000 0.0000 52174.5855 -109261.8603 299.8481 -161436.4458 -108905.7832 300.2462 58.6714 87.0844 760578.2291 1.1852 1.1889 PRESSURE: 2856600 -108.939 -145.04 38.1275 -145.041 -224.361 -147.833 38.1283 -147.835 204.539 GPRESSURE: 2856600 -74.3655 -164.289 83.2775 -183.159 -241.292 -121.903 -27.8147 -223.059 263.743 PRESSAVG: 2856600 -4.46125 -31.9041 -9.92197 -31.9041 -22.8572 -12.2856 -9.92198 -12.2855 -11.679 GPRESSAVG: 2856600 -3.87526 -34.059 -8.2457 -30.206 -25.3826 -12.3392 -12.5175 -13.6116 -9.4528 TIMING: 2856600 CPU: 9098.48, 0.00311703/step Wall: 9098.48, 0.00311703/step, 1.85585 hours remaining, 233.562500 MB of memory in use. ENERGY: 2856600 3911.8851 20740.9991 14482.8286 252.1949 -203312.2561 2446.6659 0.0000 0.0000 52087.8113 -109389.8714 299.3494 -161477.6827 -109036.6413 299.7815 -42.9202 -17.3050 761938.6416 -12.9991 -12.9036 PRESSURE: 2856800 107.21 33.1966 -29.1417 33.1962 -218.966 -157.916 -29.1412 -157.916 211.477 GPRESSURE: 2856800 198.767 146.986 -115.388 -42.1778 -148.575 -152.403 -51.9557 -116.07 133.096 PRESSAVG: 2856800 81.99 -49.0997 -11.4128 -49.0996 -49.426 24.1891 -11.4128 24.1892 6.49186 GPRESSAVG: 2856800 81.9682 -48.0759 -12.3275 -48.0638 -47.3332 23.0179 -12.4916 25.4113 4.05896 TIMING: 2856800 CPU: 9099.1, 0.00311429/step Wall: 9099.1, 0.00311429/step, 1.85404 hours remaining, 233.687500 MB of memory in use. ENERGY: 2856800 3955.4791 20459.1520 14405.5240 240.3144 -203423.1640 2509.9433 0.0000 0.0000 52393.4333 -109459.3180 301.1058 -161852.7513 -109080.6333 299.4620 33.2402 61.0958 761196.7231 13.0186 12.8980 PRESSURE: 2857000 -129.917 -120.377 313.162 -120.377 -307.299 85.4666 313.162 85.467 87.2338 GPRESSURE: 2857000 -153.124 -170.371 315.018 -77.9213 -174.079 120.053 253.149 -16.7292 90.8333 PRESSAVG: 2857000 -4.8917 -13.0911 -32.0301 -13.0911 -32.8678 -18.1834 -32.0301 -18.1834 21.7468 GPRESSAVG: 2857000 -4.68754 -15.7738 -30.8607 -11.8995 -33.4619 -17.5657 -30.0359 -18.97 22.5028 TIMING: 2857000 CPU: 9099.73, 0.00313079/step Wall: 9099.73, 0.00313079/step, 1.86369 hours remaining, 233.687500 MB of memory in use. ENERGY: 2857000 4053.6466 20442.2642 14419.9807 235.4607 -203045.2948 2378.0805 0.0000 0.0000 52134.4311 -109381.4311 299.6173 -161515.8622 -109016.5928 299.5195 -116.6606 -78.7899 760447.1585 -5.3376 -5.2156 PRESSURE: 2857200 -471.529 51.1636 -67.1846 51.1629 -164.607 -31.1926 -67.1853 -31.1925 -459.422 GPRESSURE: 2857200 -422.629 29.7211 -0.472385 -29.6613 -138.219 56.0883 -12.8273 -24.7901 -430.301 PRESSAVG: 2857200 53.7469 -33.7451 -63.775 -33.7452 -52.1833 34.2032 -63.7751 34.2032 15.1173 GPRESSAVG: 2857200 54.8277 -32.1083 -65.2688 -36.244 -50.995 36.6532 -63.0779 33.3557 13.1195 TIMING: 2857200 CPU: 9100.35, 0.00310981/step Wall: 9100.35, 0.00310981/step, 1.85103 hours remaining, 233.687500 MB of memory in use. ENERGY: 2857200 4129.5683 20637.2466 14438.1053 254.2112 -202876.1498 2077.8025 0.0000 0.0000 52176.5012 -109162.7147 299.8591 -161339.2159 -108802.9818 299.8218 -365.1860 -330.3832 761245.9351 5.5603 5.6507 PRESSURE: 2857400 -335.888 126.295 -11.5477 126.293 -479.296 118.106 -11.5474 118.107 239.544 GPRESSURE: 2857400 -256.38 151.183 -90.9709 115.159 -412.388 221.642 26.9769 135.008 168.839 PRESSAVG: 2857400 27.6618 -47.5465 -52.8651 -47.5464 -15.5304 31.1312 -52.8652 31.1312 29.1368 GPRESSAVG: 2857400 28.1068 -48.1014 -52.1474 -47.4464 -17.3034 30.2806 -54.6627 33.298 29.9912 TIMING: 2857400 CPU: 9100.97, 0.00310951/step Wall: 9100.97, 0.00310951/step, 1.85068 hours remaining, 233.890625 MB of memory in use. ENERGY: 2857400 3939.3862 20487.6418 14466.1380 242.4282 -203695.3693 2525.1828 0.0000 0.0000 52380.8124 -109653.7800 301.0332 -162034.5924 -109278.5301 299.8838 -191.8799 -166.6433 760879.7292 13.7561 13.5982 PRESSURE: 2857600 0.648197 61.3643 17.6344 61.3647 -173.395 4.92314 17.6338 4.92213 100.987 GPRESSURE: 2857600 128.462 26.0834 -20.3393 -36.7503 -124.656 -39.3442 8.19876 30.3821 13.1049 PRESSAVG: 2857600 12.3198 -48.2224 -66.3293 -48.2224 -48.978 24.3513 -66.3293 24.3513 -19.0121 GPRESSAVG: 2857600 10.6933 -47.8301 -66.023 -49.3096 -47.6558 25.5958 -65.3798 24.2236 -19.1878 TIMING: 2857600 CPU: 9101.6, 0.00311171/step Wall: 9101.6, 0.00311171/step, 1.85181 hours remaining, 233.890625 MB of memory in use. ENERGY: 2857600 4035.2423 20484.7800 14454.5765 251.1637 -203443.6380 2509.8047 0.0000 0.0000 52353.7002 -109354.3707 300.8774 -161708.0709 -108989.1352 300.0080 -23.9199 5.6368 762048.9972 -18.5567 -18.7168 PRESSURE: 2857800 68.7603 -39.9546 162.824 -39.9554 -59.2976 82.034 162.824 82.0333 -461.558 GPRESSURE: 2857800 197.753 39.4216 148.072 173.538 -141.873 95.9407 225.025 62.6085 -422.858 PRESSAVG: 2857800 63.4143 45.0734 -12.7578 45.0734 -43.6848 25.347 -12.7578 25.3469 -4.08656 GPRESSAVG: 2857800 63.8433 44.9982 -11.6204 43.4823 -45.2669 23.4871 -13.4196 24.8109 -2.71088 TIMING: 2857800 CPU: 9102.22, 0.00312928/step Wall: 9102.22, 0.00312928/step, 1.86209 hours remaining, 233.890625 MB of memory in use. ENERGY: 2857800 4030.4114 20538.6734 14431.8197 240.1372 -203653.2086 2625.8224 0.0000 0.0000 52362.5990 -109423.7454 300.9286 -161786.3444 -109053.2527 299.7840 -150.6983 -122.3260 761458.8404 5.2143 5.2885 PRESSURE: 2858000 9.64241 -36.804 -65.5978 -36.8044 76.6109 33.882 -65.5987 33.8816 84.6923 GPRESSURE: 2858000 62.6689 114.038 -106.784 -70.9446 2.25016 -24.2461 -3.55357 -26.6612 182.941 PRESSAVG: 2858000 38.0094 -33.1013 -49.4666 -33.1013 -39.8261 10.2083 -49.4666 10.2083 -7.30418 GPRESSAVG: 2858000 37.8285 -33.8783 -50.0509 -29.2491 -39.717 9.94249 -50.8201 10.528 -7.23914 TIMING: 2858000 CPU: 9102.85, 0.00312245/step Wall: 9102.85, 0.00312245/step, 1.85786 hours remaining, 233.890625 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 4009.7131 20723.0720 14390.9961 235.9963 -203443.5524 2605.6449 0.0000 0.0000 51850.8247 -109627.3052 297.9874 -161478.1299 -109274.1681 298.9767 56.9819 82.6200 761541.0794 -3.0403 -3.0426 PRESSURE: 2858200 113.757 204.704 106.39 204.704 -272.737 -187.935 106.389 -187.933 159.156 GPRESSURE: 2858200 148.346 39.7618 93.9458 15.9828 -182.216 -196.348 -23.4467 -90.2745 120.142 PRESSAVG: 2858200 72.9795 -23.3503 -102.517 -23.3503 -103.038 24.0651 -102.517 24.0652 4.91193 GPRESSAVG: 2858200 72.2587 -21.679 -105.163 -26.064 -101.802 25.7251 -100.234 22.8928 4.9752 TIMING: 2858200 CPU: 9103.47, 0.00312548/step Wall: 9103.47, 0.00312548/step, 1.85949 hours remaining, 233.890625 MB of memory in use. ENERGY: 2858200 3967.7570 20555.6114 14387.3723 230.8160 -203425.2307 2610.4123 0.0000 0.0000 52207.9345 -109465.3272 300.0397 -161673.2617 -109105.6123 299.1072 0.0588 28.7574 761018.1768 -8.3823 -8.1894 PRESSURE: 2858400 -2.47901 -148.458 24.6459 -148.458 29.4958 42.6773 24.6476 42.6773 -67.6744 GPRESSURE: 2858400 55.552 -140.587 64.7031 -59.0958 -29.232 122.305 -26.1259 85.3032 6.19003 PRESSAVG: 2858400 32.4215 -2.23858 -24.3895 -2.23853 -33.9428 2.18187 -24.3894 2.1818 -3.46362 GPRESSAVG: 2858400 32.1578 -3.22145 -21.6697 1.15277 -33.7564 1.14448 -24.1197 5.06672 -3.3527 TIMING: 2858400 CPU: 9104.1, 0.00312452/step Wall: 9104.1, 0.00312452/step, 1.85874 hours remaining, 233.890625 MB of memory in use. ENERGY: 2858400 4004.8711 20487.8218 14353.7827 252.4251 -203982.1299 2881.3337 0.0000 0.0000 52378.6754 -109623.2201 301.0210 -162001.8955 -109253.2516 299.5354 -13.5525 10.8367 760274.8196 -1.6617 -1.6504 PRESSURE: 2858600 81.5177 216.027 255.632 216.028 -243.569 -206.269 255.631 -206.268 55.2284 GPRESSURE: 2858600 126.753 73.5849 191.535 199.935 -183.381 -209.666 245.021 -187.918 40.6941 PRESSAVG: 2858600 36.0667 6.12606 38.8337 6.12611 -29.8531 -26.8195 38.8336 -26.8195 -11.5433 GPRESSAVG: 2858600 38.5693 3.80633 37.3155 6.48971 -31.6135 -27.4912 37.2981 -25.9631 -12.2536 TIMING: 2858600 CPU: 9104.72, 0.00311401/step Wall: 9104.72, 0.00311401/step, 1.85232 hours remaining, 233.890625 MB of memory in use. ENERGY: 2858600 4041.1866 20661.7837 14436.9414 271.7912 -203563.9039 2569.5042 0.0000 0.0000 52054.5383 -109528.1585 299.1581 -161582.6968 -109177.1056 299.0039 -35.6076 -5.3114 760597.8971 -1.7766 -1.7659 PRESSURE: 2858800 -145.946 129.858 -135.133 129.858 -422.965 169.953 -135.134 169.953 35.8428 GPRESSURE: 2858800 -183.048 116.456 -127.905 84.1251 -254.093 264.863 -27.7841 116.203 -9.22326 PRESSAVG: 2858800 10.0261 47.3794 -18.3931 47.3794 -33.1477 -13.5842 -18.393 -13.5842 5.90483 GPRESSAVG: 2858800 8.28699 49.5241 -18.4974 46.6438 -32.2217 -11.9506 -19.2404 -16.5137 6.77211 TIMING: 2858800 CPU: 9105.34, 0.0031177/step Wall: 9105.34, 0.0031177/step, 1.85434 hours remaining, 233.890625 MB of memory in use. ENERGY: 2858800 3973.9160 20394.0658 14480.3667 231.7837 -202944.1566 2353.3839 0.0000 0.0000 51994.6265 -109516.0140 298.8138 -161510.6405 -109145.1856 299.3067 -177.6895 -148.7880 761219.0608 -5.7389 -5.7209 PRESSURE: 2859000 -128.206 -62.3769 223.208 -62.3769 -116.136 -135.804 223.207 -135.804 -8.00853 GPRESSURE: 2859000 -57.2605 -57.0177 340.233 -171.608 -116.112 -148.427 65.5966 -116.716 31.2605 PRESSAVG: 2859000 58.8792 -17.3728 30.8122 -17.3727 14.6059 1.20428 30.8122 1.20417 -0.932485 GPRESSAVG: 2859000 58.8552 -16.7509 32.3345 -19.2902 15.2839 0.986111 31.5502 5.09161 -1.18353 TIMING: 2859000 CPU: 9105.97, 0.00312809/step Wall: 9105.97, 0.00312809/step, 1.86035 hours remaining, 233.890625 MB of memory in use. ENERGY: 2859000 3974.1576 20368.5926 14401.6693 263.8397 -202798.7827 2051.5823 0.0000 0.0000 52258.6169 -109480.3243 300.3310 -161738.9412 -109123.8068 299.3155 -84.1168 -47.3706 760290.9747 24.1842 24.3185 PRESSURE: 2859200 -225.17 -40.566 213.015 -40.5663 171.149 37.4715 213.015 37.4699 -48.4832 GPRESSURE: 2859200 -61.4829 16.082 283.347 -29.7675 158.902 18.3961 91.2977 -36.1095 -106.733 PRESSAVG: 2859200 51.0218 -10.5758 -11.9974 -10.5758 -39.6788 35.7573 -11.9974 35.7573 -8.85237 GPRESSAVG: 2859200 51.6986 -11.0841 -13.8444 -8.76005 -38.7939 34.4593 -11.8172 32.1253 -10.2064 TIMING: 2859200 CPU: 9106.59, 0.00311894/step Wall: 9106.59, 0.00311894/step, 1.85473 hours remaining, 233.890625 MB of memory in use. ENERGY: 2859200 3982.6148 20460.0836 14389.4154 246.2663 -203162.4388 2331.4994 0.0000 0.0000 52482.4300 -109270.1293 301.6172 -161752.5594 -108901.6102 299.9131 -34.1683 -3.1045 760171.7423 0.8302 0.8994 PRESSURE: 2859400 76.0943 61.433 165.726 61.4328 -10.0712 -88.6613 165.726 -88.662 156.738 GPRESSURE: 2859400 123.957 53.6498 140.593 2.94757 57.9692 -114.102 127.944 -72.8299 113.053 PRESSAVG: 2859400 12.2166 -12.5388 29.4582 -12.5388 -43.7554 5.42066 29.4581 5.4207 20.476 GPRESSAVG: 2859400 11.0718 -12.7044 30.8184 -12.1858 -42.8615 6.99785 28.0116 3.94476 21.2199 TIMING: 2859400 CPU: 9107.22, 0.00312526/step Wall: 9107.22, 0.00312526/step, 1.85832 hours remaining, 233.890625 MB of memory in use. ENERGY: 2859400 3969.9874 20580.2375 14461.8917 231.8368 -203624.5210 2617.8657 0.0000 0.0000 52161.4956 -109601.2064 299.7728 -161762.7020 -109235.5245 299.5551 74.2538 98.3264 759515.6878 -3.6876 -3.5233 PRESSURE: 2859600 -130.977 27.6116 -175.3 27.6114 -382.011 214.277 -175.3 214.277 31.3802 GPRESSURE: 2859600 -89.7528 -18.5825 -216.017 25.2705 -368.68 170.474 -129.131 311.303 53.84 PRESSAVG: 2859600 5.00246 -16.1229 14.4064 -16.1229 -13.4828 16.466 14.4065 16.4659 -17.0132 GPRESSAVG: 2859600 4.75359 -15.666 14.82 -16.1847 -14.4394 16.3336 15.1813 18.578 -16.0103 TIMING: 2859600 CPU: 9107.84, 0.0031237/step Wall: 9107.84, 0.0031237/step, 1.85722 hours remaining, 233.890625 MB of memory in use. ENERGY: 2859600 4004.2636 20417.4735 14452.7453 252.4080 -203373.4597 2418.6811 0.0000 0.0000 52286.9062 -109540.9821 300.4936 -161827.8883 -109168.8266 299.5945 -160.5360 -134.8641 759869.4243 -8.4979 -8.5653 PRESSURE: 2859800 -106.173 41.0177 -232.173 41.018 100.58 -6.82314 -232.173 -6.82334 199.541 GPRESSURE: 2859800 -56.3673 107.099 -182.781 6.65317 154.705 63.3286 -91.408 22.3189 174.643 PRESSAVG: 2859800 37.7383 -45.2868 -55.2848 -45.2868 -33.8375 49.2043 -55.2849 49.2043 27.11 GPRESSAVG: 2859800 38.2232 -44.405 -55.4128 -46.3737 -33.8238 50.7742 -55.521 47.2065 26.6396 TIMING: 2859800 CPU: 9108.46, 0.00311107/step Wall: 9108.46, 0.00311107/step, 1.84953 hours remaining, 233.890625 MB of memory in use. ENERGY: 2859800 3996.4780 20612.9278 14399.4680 249.5680 -203173.9103 2332.9604 0.0000 0.0000 52059.6093 -109522.8988 299.1873 -161582.5081 -109159.6672 299.3060 64.6496 90.9936 759733.9107 10.3369 10.3463 PRESSURE: 2860000 60.6741 252.995 91.6198 252.994 -76.1542 74.4058 91.6201 74.4058 92.1771 GPRESSURE: 2860000 -11.582 289.72 71.1382 171.576 -29.6838 162.82 68.2703 35.8966 208.011 PRESSAVG: 2860000 -37.2179 -22.5199 -33.3436 -22.5198 -1.31423 -18.4846 -33.3437 -18.4846 -0.681958 GPRESSAVG: 2860000 -37.3779 -23.503 -34.6624 -22.2181 -1.33628 -21.5392 -31.6683 -16.1028 -0.376676 TIMING: 2860000 CPU: 9109.09, 0.00311644/step Wall: 9109.09, 0.00311644/step, 1.85255 hours remaining, 233.890625 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 3942.3596 20460.7864 14414.5593 241.0725 -203554.1125 2894.3447 0.0000 0.0000 51926.0625 -109674.9275 298.4198 -161600.9900 -109312.8079 298.8731 25.5657 55.5817 761744.8637 -13.0714 -13.0303 PRESSURE: 2860200 135.881 -44.9695 -175.861 -44.9708 400.08 -22.7916 -175.862 -22.7927 182.182 GPRESSURE: 2860200 225.316 -35.3789 -147.446 -174.36 344.253 -40.0311 -127.847 -167.316 238.823 PRESSAVG: 2860200 31.1927 -41.2179 -14.494 -41.2179 -31.0552 -34.2978 -14.494 -34.2976 19.2291 GPRESSAVG: 2860200 30.9234 -42.6102 -14.0237 -41.1209 -32.0917 -33.4557 -17.2194 -36.7989 20.504 TIMING: 2860200 CPU: 9109.71, 0.00311739/step Wall: 9109.71, 0.00311739/step, 1.85294 hours remaining, 233.890625 MB of memory in use. ENERGY: 2860200 3970.5794 20221.8480 14503.0471 245.1884 -203554.6715 2758.2711 0.0000 0.0000 52209.7727 -109645.9648 300.0503 -161855.7375 -109284.8354 298.7840 239.3809 269.4638 759368.5720 6.4555 6.4452 LDB: ============= START OF LOAD BALANCING ============== 9122.13 LDB: ============== END OF LOAD BALANCING =============== 9122.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9122.13 LDB: ============= START OF LOAD BALANCING ============== 9122.44 LDB: Largest compute 7025 load 0.035711 is 18.3% of average load 0.195536 LDB: Average compute 0.004379 is 2.2% of average load 0.195536 LDB: TIME 9122.45 LOAD: AVG 0.195536 MAX 0.215568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.875 MB LDB: TIME 9122.45 LOAD: AVG 0.195536 MAX 0.215568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: TIME 9122.45 LOAD: AVG 0.195536 MAX 0.215568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: ============== END OF LOAD BALANCING =============== 9122.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9122.45 PRESSURE: 2860400 149.191 2.49997 73.1716 2.49961 -119.328 -242.853 73.1717 -242.853 -182.394 GPRESSURE: 2860400 179.905 153.676 -73.4331 106.297 -68.3014 -319.011 138.897 -105.03 -167.026 PRESSAVG: 2860400 -32.7602 -15.0028 56.041 -15.0028 15.7768 0.0988351 56.0411 0.0988241 -0.796464 GPRESSAVG: 2860400 -32.6587 -14.0811 56.4383 -15.2328 16.2096 0.542702 55.9136 2.17674 -1.36745 TIMING: 2860400 CPU: 9110.35, 0.00318073/step Wall: 9110.35, 0.00318073/step, 1.89041 hours remaining, 235.031250 MB of memory in use. ENERGY: 2860400 4049.1670 20550.5107 14465.8859 236.4008 -203208.5484 2503.0932 0.0000 0.0000 51847.5505 -109555.9403 297.9686 -161403.4908 -109197.6144 298.6962 -50.8438 -18.4743 759802.8930 -5.9266 -5.9389 PRESSURE: 2860600 -128.582 -27.441 -32.1648 -27.4406 57.2524 22.71 -32.1655 22.7102 180.513 GPRESSURE: 2860600 -49.9608 -138.21 140.717 -18.6354 84.3084 75.0447 19.5826 13.1377 163.509 PRESSAVG: 2860600 32.1903 -44.1881 -4.75837 -44.1881 5.65628 31.5457 -4.75831 31.5458 13.0627 GPRESSAVG: 2860600 32.9434 -43.9692 -4.61837 -44.1453 5.89739 31.6014 -5.4894 31.2811 12.4004 TIMING: 2860600 CPU: 9110.98, 0.00314729/step Wall: 9110.98, 0.00314729/step, 1.87036 hours remaining, 235.300781 MB of memory in use. ENERGY: 2860600 3942.1431 20568.3480 14409.7613 237.8175 -203326.5588 2619.1668 0.0000 0.0000 51833.7631 -109715.5589 297.8893 -161549.3220 -109352.4353 299.1290 36.3943 65.9523 761171.7279 16.9698 17.0804 PRESSURE: 2860800 -133.854 65.5427 0.172535 65.5433 75.4273 -223.631 0.17301 -223.631 178.039 GPRESSURE: 2860800 -120.479 156.482 43.9554 -53.833 121.679 -177.056 22.2022 -267.831 216.595 PRESSAVG: 2860800 -35.6583 -45.2651 -31.1505 -45.2651 5.56805 12.1219 -31.1505 12.122 -6.2912 GPRESSAVG: 2860800 -36.0167 -45.0066 -30.1581 -47.7246 5.51314 12.5466 -29.7148 9.78378 -5.95118 TIMING: 2860800 CPU: 9111.6, 0.00313176/step Wall: 9111.6, 0.00313176/step, 1.86096 hours remaining, 235.300781 MB of memory in use. ENERGY: 2860800 3914.0787 20433.8507 14406.1644 245.5038 -203245.9972 2490.7642 0.0000 0.0000 52117.4560 -109638.1795 299.5197 -161755.6355 -109276.2129 298.6138 39.8705 72.5982 761316.8018 -12.1272 -12.1516 PRESSURE: 2861000 134.368 -1.64137 -17.8234 -1.64087 27.0796 -26.7073 -17.8232 -26.7074 -344.804 GPRESSURE: 2861000 123.348 -7.80958 -128.383 1.64316 114.424 -25.8113 77.0153 60.0624 -317.77 PRESSAVG: 2861000 32.1642 -31.5892 64.8143 -31.5891 -11.2833 -42.1181 64.8142 -42.1181 35.5485 GPRESSAVG: 2861000 32.1394 -30.8227 63.2107 -30.8359 -10.9909 -41.7824 64.9437 -39.6437 35.4851 TIMING: 2861000 CPU: 9112.22, 0.00309856/step Wall: 9112.22, 0.00309856/step, 1.84106 hours remaining, 235.300781 MB of memory in use. ENERGY: 2861000 4014.1181 20487.2748 14427.0200 254.1954 -203565.8904 2726.3949 0.0000 0.0000 52175.9854 -109480.9020 299.8561 -161656.8874 -109123.3624 299.2717 -61.1189 -26.6661 760666.4073 18.8098 18.8779 PRESSURE: 2861200 -275.714 -68.5016 48.2356 -68.5012 255.88 -13.7714 48.2361 -13.7701 -127.224 GPRESSURE: 2861200 -261.08 100.007 35.6399 -14.6259 327.23 -77.6572 30.3534 35.6626 -128.608 PRESSAVG: 2861200 -5.0446 -63.1811 30.3277 -63.181 47.2225 -47.4405 30.3276 -47.4405 -11.3774 GPRESSAVG: 2861200 -4.66124 -63.9786 31.2213 -62.5719 47.4506 -49.2837 29.6675 -46.1532 -12.3165 TIMING: 2861200 CPU: 9112.84, 0.00311234/step Wall: 9112.84, 0.00311234/step, 1.84908 hours remaining, 235.300781 MB of memory in use. ENERGY: 2861200 3985.6893 20421.6224 14407.3650 251.5319 -202846.3605 2260.1548 0.0000 0.0000 52009.0313 -109510.9658 298.8966 -161519.9972 -109147.7294 299.1171 -49.0190 -20.8194 761585.4748 10.2668 10.1576 PRESSURE: 2861400 -160.927 12.6135 210.537 12.6141 -178.41 -232.713 210.537 -232.714 -214.209 GPRESSURE: 2861400 -160.323 -57.8873 161.168 -80.1161 -213.478 -70.0379 112.975 -227.017 -83.4681 PRESSAVG: 2861400 51.3364 -61.9069 34.2148 -61.9069 -12.9695 -20.5658 34.2148 -20.5658 16.5258 GPRESSAVG: 2861400 50.9666 -61.7395 33.9078 -62.6155 -14.4352 -17.9547 35.0456 -23.7191 17.8966 TIMING: 2861400 CPU: 9113.47, 0.00312612/step Wall: 9113.47, 0.00312612/step, 1.85709 hours remaining, 235.300781 MB of memory in use. ENERGY: 2861400 4063.7520 20377.7222 14446.6451 264.8634 -203011.9263 2145.6910 0.0000 0.0000 52232.8972 -109480.3554 300.1832 -161713.2526 -109118.5945 298.9204 -184.5156 -152.4230 759216.6004 18.2976 18.1426 PRESSURE: 2861600 -153.898 91.0674 -50.3691 91.0668 265.215 75.845 -50.3682 75.8445 -151.602 GPRESSURE: 2861600 -79.968 49.4539 -108.835 107.889 218.029 89.5263 -51.1235 110.709 -95.6791 PRESSAVG: 2861600 -18.9057 -56.6062 42.9987 -56.6061 15.5231 -22.0682 42.9986 -22.0681 19.8991 GPRESSAVG: 2861600 -18.8011 -57.7416 43.0827 -55.028 15.7829 -24.4618 40.4241 -17.9919 19.154 TIMING: 2861600 CPU: 9114.1, 0.00313188/step Wall: 9114.1, 0.00313188/step, 1.86034 hours remaining, 235.300781 MB of memory in use. ENERGY: 2861600 3934.7882 20472.0054 14447.7215 256.7799 -203049.6428 2430.8814 0.0000 0.0000 52272.7945 -109234.6718 300.4125 -161507.4663 -108874.8695 299.8798 -13.4284 14.1272 759567.2769 5.5055 5.3786 PRESSURE: 2861800 113.346 -154.163 -81.0059 -154.164 196.265 -71.1215 -81.0066 -71.1205 -236.164 GPRESSURE: 2861800 90.5971 -155.074 -5.03584 -259.916 334.126 -97.9272 -10.6457 -25.4849 -268.584 PRESSAVG: 2861800 19.4528 -33.469 0.18773 -33.4689 -50.0505 -28.5588 0.187689 -28.5587 26.3514 GPRESSAVG: 2861800 18.9078 -33.7719 1.24097 -33.8167 -48.5924 -26.7421 0.763627 -30.332 25.9746 TIMING: 2861800 CPU: 9114.72, 0.00313499/step Wall: 9114.72, 0.00313499/step, 1.86201 hours remaining, 235.300781 MB of memory in use. ENERGY: 2861800 4004.2177 20450.5638 14266.6828 257.6390 -203090.2247 2586.3826 0.0000 0.0000 52169.7256 -109355.0132 299.8201 -161524.7388 -108999.8949 299.3199 24.4824 52.0466 760439.9957 -1.4155 -1.2367 PRESSURE: 2862000 327.198 -74.5193 71.5207 -74.5193 -65.3245 -114.3 71.5198 -114.3 -248.531 GPRESSURE: 2862000 312.617 -116.601 22.5098 -135.227 -39.4569 -76.2396 128.122 51.3391 -198.009 PRESSAVG: 2862000 4.18204 -14.1496 31.0387 -14.1496 -29.5963 -53.1951 31.0387 -53.1951 9.66154 GPRESSAVG: 2862000 4.26762 -13.2417 30.1964 -15.2597 -29.9603 -54.6717 34.2471 -51.5258 9.79025 TIMING: 2862000 CPU: 9115.35, 0.00312522/step Wall: 9115.35, 0.00312522/step, 1.85603 hours remaining, 235.503906 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: 2862000 3995.1160 20575.6083 14402.4605 273.5583 -203177.7112 2689.3340 0.0000 0.0000 51903.7375 -109337.8964 298.2915 -161241.6340 -108983.4112 299.2784 4.4474 25.0504 760642.9236 -5.2509 -5.3008 PRESSURE: 2862200 236.875 -34.2509 109.501 -34.2506 3.02451 81.5237 109.501 81.524 342.421 GPRESSURE: 2862200 303.026 43.4601 96.6907 -19.6433 -1.66667 50.4349 45.8448 143.674 395.143 PRESSAVG: 2862200 44.8059 1.31939 -22.9181 1.31933 -25.0934 0.725809 -22.9182 0.725886 6.83136 GPRESSAVG: 2862200 45.0136 2.80845 -22.941 3.24335 -24.853 -1.0496 -24.9882 1.8815 6.3446 TIMING: 2862200 CPU: 9115.97, 0.00311344/step Wall: 9115.97, 0.00311344/step, 1.84887 hours remaining, 235.503906 MB of memory in use. ENERGY: 2862200 4018.2419 20257.9195 14513.1362 247.2804 -202807.5991 2429.6597 0.0000 0.0000 51726.0515 -109615.3099 297.2703 -161341.3614 -109256.6657 299.0067 194.1070 232.1676 760177.5948 8.8479 8.8351 PRESSURE: 2862400 15.8315 -103.411 -48.1166 -103.411 482.148 101.418 -48.1168 101.418 -80.0207 GPRESSURE: 2862400 162.966 -121.95 -25.0106 -45.1381 437.9 37.5531 -63.6457 114.836 -91.9036 PRESSAVG: 2862400 17.156 -51.7481 -5.32275 -51.7481 7.68744 20.8648 -5.32274 20.8648 -0.539778 GPRESSAVG: 2862400 16.9688 -53.7261 -5.27775 -50.3168 7.53689 23.456 -4.63729 17.9672 -0.635918 TIMING: 2862400 CPU: 9116.6, 0.00312126/step Wall: 9116.6, 0.00312126/step, 1.85333 hours remaining, 235.503906 MB of memory in use. ENERGY: 2862400 3930.4257 20323.9388 14431.0431 238.8331 -203330.5639 2639.2423 0.0000 0.0000 52096.7569 -109670.3240 299.4008 -161767.0809 -109307.4634 298.8450 139.3197 169.6543 759695.1413 8.1012 7.9566 PRESSURE: 2862600 108.769 -11.5474 3.51803 -11.5475 137.858 78.9151 3.51812 78.915 -426.271 GPRESSURE: 2862600 141.377 -67.3805 110.611 9.79547 119.757 110.968 -98.5681 85.664 -356.064 PRESSAVG: 2862600 2.96637 -12.4886 -38.323 -12.4885 11.4892 -9.20801 -38.323 -9.20794 15.144 GPRESSAVG: 2862600 2.45644 -12.881 -38.4672 -14.2806 11.7654 -9.70048 -39.0429 -8.02053 15.2206 TIMING: 2862600 CPU: 9117.22, 0.00312995/step Wall: 9117.22, 0.00312995/step, 1.85832 hours remaining, 235.503906 MB of memory in use. ENERGY: 2862600 3957.3624 20414.9160 14378.5416 248.8886 -203268.9593 2696.3996 0.0000 0.0000 51937.7478 -109635.1033 298.4870 -161572.8511 -109266.7198 298.2550 -59.8817 -31.6436 760492.9135 9.8665 9.8142 PRESSURE: 2862800 -5.34247 -238.907 -12.0343 -238.906 121.691 -182.558 -12.0341 -182.557 554.239 GPRESSURE: 2862800 101.716 -147.661 51.6861 -251.107 55.3174 -238.357 -25.1533 -206.601 593.537 PRESSAVG: 2862800 -14.2177 -40.8104 -8.23201 -40.8105 21.2402 -88.893 -8.23207 -88.893 6.36687 GPRESSAVG: 2862800 -13.5783 -39.2029 -8.01323 -41.7745 20.9003 -87.5579 -9.96372 -89.8742 5.55079 TIMING: 2862800 CPU: 9117.85, 0.00312512/step Wall: 9117.85, 0.00312512/step, 1.85528 hours remaining, 235.503906 MB of memory in use. ENERGY: 2862800 3951.6031 20355.4463 14401.5625 239.8203 -203117.2253 2568.0324 0.0000 0.0000 52007.4231 -109593.3376 298.8874 -161600.7607 -109233.1054 298.2862 223.5290 250.1902 760904.0014 4.4631 4.2909 PRESSURE: 2863000 -46.6674 139.362 -121.778 139.362 221.901 -103.259 -121.777 -103.259 140.181 GPRESSURE: 2863000 -65.0489 115.661 -144.141 112.214 283.477 -158.207 -145.501 86.1765 161.543 PRESSAVG: 2863000 -38.5176 -2.31173 -29.1446 -2.31172 26.1332 12.5274 -29.1446 12.5274 -26.1283 GPRESSAVG: 2863000 -37.3597 -4.09588 -29.6478 -1.39779 24.0636 11.8874 -27.0573 13.5615 -25.4634 TIMING: 2863000 CPU: 9118.47, 0.00312228/step Wall: 9118.47, 0.00312228/step, 1.85342 hours remaining, 235.503906 MB of memory in use. ENERGY: 2863000 4085.0663 20393.5429 14445.6576 241.9607 -203685.4499 2845.5502 0.0000 0.0000 52058.5674 -109615.1048 299.1813 -161673.6722 -109243.2700 298.6535 105.1383 126.6571 761216.8438 -12.8376 -12.9198 PRESSURE: 2863200 -14.5493 8.91493 -212.64 8.91531 -142.598 -129.696 -212.641 -129.697 -28.4959 GPRESSURE: 2863200 137.978 -64.5964 -179.287 73.6484 -168.952 -81.6749 -272.976 -172.641 -79.1053 PRESSAVG: 2863200 29.6105 -5.76053 -63.5609 -5.7605 -27.1216 -11.4662 -63.5608 -11.4662 32.4771 GPRESSAVG: 2863200 28.4801 -3.9516 -62.5969 -5.73853 -25.5397 -10.9695 -65.1358 -12.5905 32.0562 TIMING: 2863200 CPU: 9119.09, 0.00311993/step Wall: 9119.09, 0.00311993/step, 1.85185 hours remaining, 235.503906 MB of memory in use. ENERGY: 2863200 3968.1289 20454.1278 14407.5764 255.0405 -203136.2321 2488.0070 0.0000 0.0000 52125.7363 -109437.6152 299.5673 -161563.3515 -109075.5633 298.5804 -61.8812 -36.6932 761260.0554 11.6553 11.6655 PRESSURE: 2863400 -185.698 123.983 -33.0694 123.983 -365.862 -20.7988 -33.07 -20.7989 429.296 GPRESSURE: 2863400 -137.234 67.3154 -74.364 217.855 -282.09 26.3631 -8.3385 -35.8494 371.029 PRESSAVG: 2863400 18.1253 -18.5973 -28.4893 -18.5973 -60.9399 -22.7447 -28.4893 -22.7446 0.24784 GPRESSAVG: 2863400 17.7599 -20.4057 -27.26 -17.7029 -60.5481 -24.3001 -29.5188 -23.3723 0.514934 TIMING: 2863400 CPU: 9119.72, 0.00312505/step Wall: 9119.72, 0.00312505/step, 1.85471 hours remaining, 235.503906 MB of memory in use. ENERGY: 2863400 3974.5331 20484.5172 14418.5276 241.3585 -203175.8124 2652.0335 0.0000 0.0000 51969.1573 -109435.6851 298.6675 -161404.8424 -109068.4333 298.8173 -40.7550 -16.0982 762448.1234 -14.1889 -14.0911 PRESSURE: 2863600 6.62577 0.0367126 -26.6349 0.0365959 98.7532 -181.553 -26.6354 -181.553 120.008 GPRESSURE: 2863600 6.08932 -9.9465 -10.1065 55.9773 169.874 -171.682 16.6946 -243.185 125.705 PRESSAVG: 2863600 26.2912 -50.2327 5.92654 -50.2327 -8.11953 20.8913 5.92658 20.8913 16.1401 GPRESSAVG: 2863600 26.5262 -47.6889 5.19536 -51.0927 -7.23522 21.3295 8.48513 21.8337 15.6479 TIMING: 2863600 CPU: 9120.34, 0.00312632/step Wall: 9120.34, 0.00312633/step, 1.8553 hours remaining, 235.503906 MB of memory in use. ENERGY: 2863600 3993.8243 20531.8979 14446.4254 242.5607 -202631.5549 2261.0497 0.0000 0.0000 52030.7212 -109125.0757 299.0213 -161155.7968 -108756.5409 299.7016 75.1290 100.5560 761902.2983 11.4373 11.6463 PRESSURE: 2863800 -312.391 -73.4967 -135.443 -73.4965 -234.155 -109.633 -135.444 -109.634 278.162 GPRESSURE: 2863800 -277.456 -109.203 -94.993 -228.579 -101.789 -129.035 -307.492 -104.369 207.788 PRESSAVG: 2863800 48.0942 -102.865 -9.85851 -102.865 -59.0641 49.0742 -9.85856 49.0742 11.3779 GPRESSAVG: 2863800 47.3656 -105.243 -12.5574 -103.152 -59.8669 49.9185 -10.3367 47.6748 12.9603 TIMING: 2863800 CPU: 9120.97, 0.00311218/step Wall: 9120.97, 0.00311218/step, 1.84673 hours remaining, 235.503906 MB of memory in use. ENERGY: 2863800 4002.1889 20517.6667 14391.3363 267.5502 -202810.9010 2569.9472 0.0000 0.0000 52212.1102 -108850.1015 300.0637 -161062.2117 -108483.5458 299.7182 -89.4612 -57.1524 761263.3571 0.1360 0.1530 PRESSURE: 2864000 -16.8683 -87.752 -156.616 -87.7522 190.897 -98.0634 -156.616 -98.0627 -52.6166 GPRESSURE: 2864000 35.7968 -170.583 -282.662 -48.2394 255.836 -49.0438 -14.4321 -106.454 -86.4146 PRESSAVG: 2864000 -14.482 -12.8892 -28.774 -12.8893 -2.81575 21.29 -28.7741 21.2899 19.9476 GPRESSAVG: 2864000 -14.3661 -12.439 -25.5262 -12.8634 -2.23572 20.7038 -29.9194 21.5253 19.031 TIMING: 2864000 CPU: 9121.59, 0.00311393/step Wall: 9121.59, 0.00311392/step, 1.8476 hours remaining, 235.503906 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: 2864000 4044.0748 20552.6589 14333.0185 252.3272 -203451.1028 2747.2881 0.0000 0.0000 52473.2181 -109048.5171 301.5643 -161521.7352 -108678.0938 300.3508 40.4706 68.4059 759758.2100 0.8833 0.8097 PRESSURE: 2864200 -58.0391 11.8704 -160.863 11.87 -431.526 132.315 -160.861 132.314 -80.8433 GPRESSURE: 2864200 19.156 -9.39128 -114.472 -3.24272 -422.594 197.258 -115.209 217.62 -75.1303 PRESSAVG: 2864200 59.6146 -19.6826 -30.2106 -19.6826 -61.5176 7.00324 -30.2106 7.00337 6.81402 GPRESSAVG: 2864200 60.7059 -19.1172 -30.7872 -19.3201 -61.919 5.87458 -29.0127 7.96663 6.71049 TIMING: 2864200 CPU: 9122.22, 0.00312931/step Wall: 9122.22, 0.00312931/step, 1.85655 hours remaining, 235.503906 MB of memory in use. ENERGY: 2864200 4041.1858 20477.7635 14373.4354 230.4109 -202709.9854 2407.0238 0.0000 0.0000 52052.0500 -109128.1160 299.1438 -161180.1659 -108760.1319 300.2971 -190.1360 -159.5228 762951.7189 1.6370 1.8325 LDB: ============= START OF LOAD BALANCING ============== 9134.63 LDB: ============== END OF LOAD BALANCING =============== 9134.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9134.64 LDB: ============= START OF LOAD BALANCING ============== 9134.95 LDB: Largest compute 7024 load 0.031408 is 16.1% of average load 0.195631 LDB: Average compute 0.004385 is 2.2% of average load 0.195631 LDB: TIME 9134.95 LOAD: AVG 0.195631 MAX 0.220704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.043 MB LDB: TIME 9134.95 LOAD: AVG 0.195631 MAX 0.220704 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: TIME 9134.95 LOAD: AVG 0.195631 MAX 0.217514 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: ============== END OF LOAD BALANCING =============== 9134.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9134.96 PRESSURE: 2864400 169.74 -87.794 -155.811 -87.7941 -55.2353 301.265 -155.811 301.265 -11.1299 GPRESSURE: 2864400 82.3725 -69.0727 -105.824 -114.48 92.7489 156.676 -90.6759 270.458 8.80402 PRESSAVG: 2864400 39.1491 -33.1778 -0.957136 -33.1778 -41.5787 -9.50185 -0.957155 -9.50177 -24.1903 GPRESSAVG: 2864400 38.5362 -33.893 -3.13693 -31.9303 -41.3109 -8.43983 -0.412292 -11.1379 -24.1702 TIMING: 2864400 CPU: 9122.85, 0.0031939/step Wall: 9122.85, 0.0031939/step, 1.89469 hours remaining, 234.039062 MB of memory in use. ENERGY: 2864400 4062.0014 20541.9233 14438.5475 241.8208 -203136.5282 2543.3478 0.0000 0.0000 52190.1135 -109118.7739 299.9373 -161308.8874 -108763.1516 299.6848 34.4582 61.3085 761066.3979 -8.8733 -8.9816 PRESSURE: 2864600 -56.5259 -33.3501 -234.873 -33.3497 -82.5415 -235.539 -234.873 -235.538 -327.944 GPRESSURE: 2864600 40.8934 -93.8791 -146.756 -62.0083 -140.94 -191.841 -258.925 -209.609 -261.748 PRESSAVG: 2864600 75.5416 -29.3395 4.80083 -29.3395 -68.4146 1.03377 4.80076 1.03374 -23.7602 GPRESSAVG: 2864600 76.2194 -27.1613 6.17541 -31.3292 -70.1883 1.67159 3.54675 0.938786 -22.6231 TIMING: 2864600 CPU: 9123.48, 0.00313429/step Wall: 9123.48, 0.00313429/step, 1.85916 hours remaining, 234.308594 MB of memory in use. ENERGY: 2864600 4019.6491 20535.9946 14337.4234 249.2955 -203256.4036 2672.3900 0.0000 0.0000 52131.8404 -109309.8107 299.6024 -161441.6511 -108943.8415 299.5338 -155.6706 -120.5982 760906.9475 -5.5444 -5.5307 PRESSURE: 2864800 47.3654 -19.2451 -1.80457 -19.2455 404.286 -299.17 -1.80481 -299.17 -173.001 GPRESSURE: 2864800 82.1477 211.13 8.3107 -52.9414 422.52 -284.622 11.3369 -101.185 -134.587 PRESSAVG: 2864800 12.2463 19.5005 -16.1632 19.5006 -26.7304 8.89968 -16.1632 8.89957 4.72477 GPRESSAVG: 2864800 11.7821 18.911 -17.2441 19.7941 -25.7826 9.25959 -13.9641 8.89871 3.90206 TIMING: 2864800 CPU: 9124.11, 0.00312486/step Wall: 9124.11, 0.00312486/step, 1.85339 hours remaining, 234.308594 MB of memory in use. ENERGY: 2864800 3980.2693 20498.0512 14403.8793 233.7375 -203331.0071 2823.6832 0.0000 0.0000 52068.7517 -109322.6349 299.2398 -161391.3866 -108960.1425 299.6363 92.8836 123.3602 761408.9005 -3.2531 -3.3661 PRESSURE: 2865000 -157.128 139.241 62.9945 139.242 -92.8022 55.7839 62.9941 55.7838 23.0016 GPRESSURE: 2865000 -29.8822 29.9657 118.028 97.9735 -177.206 96.5813 4.01877 -91.175 57.239 PRESSAVG: 2865000 8.06683 8.07823 28.8139 8.0782 -34.6794 -4.87535 28.8139 -4.87534 10.3827 GPRESSAVG: 2865000 7.73258 7.54835 30.1801 8.0325 -33.9827 -6.30949 26.6607 -3.86653 10.2222 TIMING: 2865000 CPU: 9124.73, 0.00313384/step Wall: 9124.73, 0.00313384/step, 1.85854 hours remaining, 234.308594 MB of memory in use. ENERGY: 2865000 3967.3328 20559.4729 14434.9959 231.7076 -203276.6170 2582.2257 0.0000 0.0000 52028.8235 -109472.0586 299.0104 -161500.8821 -109111.5065 299.4014 -75.6430 -49.9498 761415.4911 -5.4099 -5.3427 PRESSURE: 2865200 42.8456 -210.333 46.267 -210.333 -222.152 141.609 46.2662 141.61 -317.089 GPRESSURE: 2865200 73.1939 -148.242 -0.535701 -176.001 -209.189 83.2 200.806 61.5224 -268.538 PRESSAVG: 2865200 58.229 17.0586 14.892 17.0586 -83.4985 -7.78856 14.8919 -7.78855 12.4283 GPRESSAVG: 2865200 56.9164 16.3836 13.961 18.6347 -83.0027 -7.00129 15.4733 -9.04581 12.9763 TIMING: 2865200 CPU: 9125.36, 0.00312842/step Wall: 9125.36, 0.00312842/step, 1.85515 hours remaining, 234.308594 MB of memory in use. ENERGY: 2865200 4021.8213 20513.5723 14403.2947 259.0266 -203213.4240 2565.2318 0.0000 0.0000 51982.6819 -109467.7955 298.7452 -161450.4774 -109104.6127 299.1440 -165.4652 -134.8443 761693.6868 -4.2804 -4.3700 PRESSURE: 2865400 -28.0856 -252.989 -112.754 -252.989 33.3637 -36.919 -112.753 -36.9195 45.447 GPRESSURE: 2865400 11.7371 -239.758 -60.24 -146.49 -34.6337 -12.1916 -174.32 -122.825 145.326 PRESSAVG: 2865400 49.4064 -44.3161 27.312 -44.3161 -41.151 -28.5323 27.312 -28.5323 -5.08049 GPRESSAVG: 2865400 50.6453 -42.9775 29.8754 -44.5602 -42.5699 -29.1011 26.4621 -31.0315 -4.55622 TIMING: 2865400 CPU: 9125.98, 0.00312149/step Wall: 9125.98, 0.00312149/step, 1.85087 hours remaining, 234.308594 MB of memory in use. ENERGY: 2865400 3994.8820 20571.9869 14410.6743 250.1290 -203044.2480 2351.6904 0.0000 0.0000 52132.9735 -109331.9120 299.6089 -161464.8855 -108967.9270 299.3057 16.9084 40.8098 761137.3935 1.0583 1.1731 PRESSURE: 2865600 7.17061 59.5638 155.606 59.5628 -202.935 -1.77208 155.606 -1.77236 15.1951 GPRESSURE: 2865600 -50.1859 25.4483 43.5216 73.8314 -69.8121 62.9337 294.227 -34.9606 17.0462 PRESSAVG: 2865600 3.99491 -13.2504 -7.23488 -13.2504 -16.0543 -61.3279 -7.23484 -61.328 -8.9265 GPRESSAVG: 2865600 4.29545 -14.3572 -7.5038 -13.434 -15.0048 -60.579 -7.40223 -58.9168 -10.3823 TIMING: 2865600 CPU: 9126.61, 0.0031169/step Wall: 9126.61, 0.0031169/step, 1.84798 hours remaining, 234.308594 MB of memory in use. ENERGY: 2865600 4027.8068 20462.0393 14432.1498 242.9003 -202931.8182 2586.7344 0.0000 0.0000 52048.6946 -109131.4931 299.1246 -161180.1877 -108775.0023 299.9090 -60.1897 -34.3172 760398.7934 -6.9953 -7.0305 PRESSURE: 2865800 -253.854 -163.505 164.869 -163.506 293.658 73.5196 164.869 73.5184 212.922 GPRESSURE: 2865800 -57.2949 -137.895 241.157 -17.5585 250.696 54.2888 106.516 124.284 146.182 PRESSAVG: 2865800 29.3369 -41.283 4.54299 -41.283 -11.6746 -32.0131 4.54294 -32.0132 16.4861 GPRESSAVG: 2865800 29.3497 -42.5639 3.02561 -38.6762 -12.4794 -31.6818 4.71071 -33.016 17.2747 TIMING: 2865800 CPU: 9127.23, 0.00309878/step Wall: 9127.23, 0.00309878/step, 1.83706 hours remaining, 234.308594 MB of memory in use. ENERGY: 2865800 3977.9401 20513.6952 14495.9009 259.7300 -202839.9240 2365.3905 0.0000 0.0000 52082.9991 -109144.2681 299.3217 -161227.2673 -108779.2932 299.9341 84.2419 113.1943 760654.3097 11.3828 11.3817 PRESSURE: 2866000 -167.644 -40.0087 -182.731 -40.0082 -42.6391 -26.3625 -182.731 -26.3632 -216.731 GPRESSURE: 2866000 -35.4427 -85.7486 -142.336 10.7986 -50.9803 97.2139 -138.774 -127.262 -257.239 PRESSAVG: 2866000 45.299 1.81774 -5.97798 1.81774 -7.13039 -55.173 -5.97802 -55.1729 -3.31336 GPRESSAVG: 2866000 45.8992 1.73545 -5.5548 0.581005 -8.1026 -55.8225 -5.99775 -52.9952 -2.89925 TIMING: 2866000 CPU: 9127.85, 0.00311841/step Wall: 9127.85, 0.00311841/step, 1.84852 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2866000 4068.9626 20614.2362 14443.9217 244.6065 -203284.2017 2503.5526 0.0000 0.0000 52221.6201 -109187.3019 300.1184 -161408.9220 -108823.0747 299.5074 -142.3380 -114.5541 759271.7761 11.6184 11.6324 PRESSURE: 2866200 373.727 205.367 62.3777 205.367 -15.3965 232.995 62.3767 232.996 372.103 GPRESSURE: 2866200 345.811 146.189 -12.3884 273.48 15.9543 229.487 93.5073 219.491 463.204 PRESSAVG: 2866200 8.59028 -16.1987 6.21073 -16.1987 7.27057 49.3346 6.2107 49.3346 17.7455 GPRESSAVG: 2866200 8.65535 -14.9857 7.18252 -16.5231 7.23771 49.1127 6.60517 48.8255 17.7983 TIMING: 2866200 CPU: 9128.47, 0.00312025/step Wall: 9128.47, 0.00312025/step, 1.84944 hours remaining, 234.308594 MB of memory in use. ENERGY: 2866200 4046.6370 20503.1752 14475.5240 246.3770 -202847.2616 2459.8737 0.0000 0.0000 51825.6433 -109290.0314 297.8427 -161115.6747 -108928.5817 299.4438 243.4778 274.9899 759940.9017 11.2021 11.2305 PRESSURE: 2866400 -374.84 69.9062 52.4584 69.9061 103.061 104.114 52.4588 104.114 336.84 GPRESSURE: 2866400 -331.586 41.8261 18.2824 -57.3369 126.283 105.126 144.317 163.722 349.19 PRESSAVG: 2866400 23.7992 -25.9904 -14.3892 -25.9905 -21.1078 43.4571 -14.3892 43.4571 -4.55441 GPRESSAVG: 2866400 23.3736 -28.388 -16.5279 -24.6782 -19.6907 42.7501 -14.4779 44.4019 -5.02333 TIMING: 2866400 CPU: 9129.1, 0.00313095/step Wall: 9129.1, 0.00313095/step, 1.85561 hours remaining, 234.308594 MB of memory in use. ENERGY: 2866400 3987.4522 20325.6478 14464.8188 233.9505 -202961.2773 2363.9386 0.0000 0.0000 52186.0480 -109399.4214 299.9139 -161585.4694 -109040.1543 299.5964 21.6871 47.9622 760580.8875 -0.6210 -0.4468 PRESSURE: 2866600 -46.9592 -173.752 -47.3535 -173.751 146.237 -234.239 -47.3539 -234.238 244.728 GPRESSURE: 2866600 -0.543899 -103.16 -117.679 -161.246 150.973 -252.706 1.82231 -163.442 256.846 PRESSAVG: 2866600 69.1989 -35.7098 35.3732 -35.7098 -47.0537 39.1646 35.3733 39.1646 22.5223 GPRESSAVG: 2866600 69.4954 -34.2737 35.6722 -39.174 -47.5145 38.3327 35.7986 39.4937 22.8388 TIMING: 2866600 CPU: 9129.73, 0.00312761/step Wall: 9129.73, 0.00312761/step, 1.85346 hours remaining, 234.308594 MB of memory in use. ENERGY: 2866600 3960.7188 20400.9544 14408.6726 246.1720 -202932.9042 2426.4882 0.0000 0.0000 52135.9357 -109353.9625 299.6259 -161489.8982 -108994.3798 298.6145 114.6685 135.7584 761405.0009 14.8892 14.9399 PRESSURE: 2866800 -37.3615 -4.49382 -24.3772 -4.49334 57.0861 -114.368 -24.3774 -114.369 122.57 GPRESSURE: 2866800 -23.6926 73.7904 -25.6519 -25.8782 51.3426 -115.797 -160.42 -77.378 204.314 PRESSAVG: 2866800 0.575264 -30.6083 70.234 -30.6083 13.7036 46.7298 70.234 46.7297 -2.05302 GPRESSAVG: 2866800 -0.573043 -32.2344 70.5126 -28.0225 13.8943 48.2664 69.5546 44.5486 -1.89254 TIMING: 2866800 CPU: 9130.35, 0.00313727/step Wall: 9130.35, 0.00313727/step, 1.85901 hours remaining, 234.308594 MB of memory in use. ENERGY: 2866800 3976.6189 20506.4031 14479.2398 233.2237 -202948.7713 2378.5292 0.0000 0.0000 51912.3947 -109462.3619 298.3412 -161374.7566 -109101.6408 299.4507 47.4316 77.3212 761213.8585 4.0753 3.8096 PRESSURE: 2867000 -120.55 99.9342 -119.921 99.9345 -185.403 156.969 -119.92 156.968 -107.566 GPRESSURE: 2867000 -61.6584 95.8919 -141.228 167.097 -117.719 142.351 -14.3887 72.1371 -147.806 PRESSAVG: 2867000 8.23135 -20.0835 -1.44167 -20.0835 -31.1087 59.2194 -1.44169 59.2194 -1.4538 GPRESSAVG: 2867000 9.1086 -19.5943 -0.638864 -18.7959 -31.2684 58.4236 0.454825 57.862 -2.00949 TIMING: 2867000 CPU: 9130.98, 0.00314003/step Wall: 9130.98, 0.00314003/step, 1.86047 hours remaining, 234.308594 MB of memory in use. ENERGY: 2867000 3980.7576 20415.9834 14382.9810 234.6074 -203287.5821 2509.5336 0.0000 0.0000 52153.5851 -109610.1340 299.7274 -161763.7191 -109244.2797 298.8784 -137.8396 -109.0610 761497.8816 -8.1104 -8.0564 PRESSURE: 2867200 82.2083 258.262 -143.117 258.263 172.786 172.013 -143.115 172.011 17.1647 GPRESSURE: 2867200 115.164 275.766 -222.028 174.966 195.051 127.452 -173.171 116.622 54.3016 PRESSAVG: 2867200 4.21579 -24.0103 24.8666 -24.0102 -11.6587 47.5808 24.8666 47.5809 -4.54691 GPRESSAVG: 2867200 3.80329 -25.2683 24.9613 -23.3262 -12.6047 48.744 23.8772 48.3368 -3.27144 TIMING: 2867200 CPU: 9131.61, 0.00313676/step Wall: 9131.61, 0.00313676/step, 1.85835 hours remaining, 234.308594 MB of memory in use. ENERGY: 2867200 4034.3827 20425.6960 14403.3144 244.4674 -203510.6053 2656.4578 0.0000 0.0000 52205.1076 -109541.1794 300.0235 -161746.2871 -109178.4665 299.0348 90.7198 121.5058 761536.3350 -3.9966 -4.0243 PRESSURE: 2867400 26.991 -114.064 172.012 -114.065 263.331 -144.693 172.011 -144.693 -137.085 GPRESSURE: 2867400 82.6524 -265.481 179.68 -112.471 230.424 -80.21 9.63658 -232.145 -75.071 PRESSAVG: 2867400 -16.1458 -56.7217 -12.6516 -56.7218 -2.62554 18.9919 -12.6516 18.9919 14.5162 GPRESSAVG: 2867400 -15.8514 -54.524 -13.4613 -60.1107 -1.98045 17.945 -16.3667 19.4776 13.4624 TIMING: 2867400 CPU: 9132.23, 0.00313039/step Wall: 9132.23, 0.00313039/step, 1.85441 hours remaining, 234.308594 MB of memory in use. ENERGY: 2867400 3969.8632 20373.9654 14409.1793 267.5196 -203129.5298 2509.9298 0.0000 0.0000 52282.1128 -109316.9597 300.4660 -161599.0725 -108953.1162 299.3816 51.0791 79.3350 762438.9816 -1.4184 -1.4565 PRESSURE: 2867600 171.047 95.0667 -62.7364 95.0664 2.98522 148.682 -62.7362 148.681 -480.98 GPRESSURE: 2867600 137.131 130.473 -32.7029 -28.6581 17.8823 114.143 -36.8058 140.039 -379.964 PRESSAVG: 2867600 4.82601 -43.8316 35.1746 -43.8316 -16.1317 24.4075 35.1747 24.4074 16.9473 GPRESSAVG: 2867600 4.20686 -43.3174 35.241 -45.6517 -16.7047 24.8756 35.5416 24.4073 17.669 TIMING: 2867600 CPU: 9132.86, 0.00312687/step Wall: 9132.86, 0.00312687/step, 1.85215 hours remaining, 234.308594 MB of memory in use. ENERGY: 2867600 4042.2379 20460.8014 14423.4714 237.1092 -203067.4175 2418.5268 0.0000 0.0000 52091.4484 -109393.8225 299.3703 -161485.2709 -109032.8997 299.3620 -102.3158 -74.9835 761920.5329 1.8805 1.7237 PRESSURE: 2867800 -285.468 -9.71515 22.258 -9.71424 -238.36 136.992 22.257 136.991 -134.437 GPRESSURE: 2867800 -84.9187 85.4379 31.4884 4.39655 -346.797 188.499 52.056 48.672 -136.645 PRESSAVG: 2867800 47.6426 -40.5675 41.3716 -40.5675 -75.1206 28.8655 41.3715 28.8655 -1.80812 GPRESSAVG: 2867800 48.1092 -40.8926 41.7634 -39.2064 -74.8126 28.7399 43.0667 29.2517 -2.67471 TIMING: 2867800 CPU: 9133.49, 0.00313496/step Wall: 9133.49, 0.00313496/step, 1.85677 hours remaining, 234.308594 MB of memory in use. ENERGY: 2867800 3948.5260 20475.7760 14469.6969 246.3261 -203069.5603 2361.1923 0.0000 0.0000 52210.0812 -109357.9618 300.0521 -161568.0430 -108991.4910 299.1182 -219.4217 -189.4534 762154.7932 -9.7620 -9.7927 PRESSURE: 2868000 293.665 -29.3491 58.011 -29.3487 196.083 122.68 58.0104 122.68 732.97 GPRESSURE: 2868000 266.039 -41.4481 122.833 39.5328 303.006 64.8264 126.577 -105.895 723.045 PRESSAVG: 2868000 -47.8863 -12.8983 39.9802 -12.8982 73.5375 -19.6199 39.9802 -19.62 15.8282 GPRESSAVG: 2868000 -47.5712 -12.6253 39.3581 -12.4059 73.7059 -19.7602 40.0941 -19.1099 15.8226 TIMING: 2868000 CPU: 9134.11, 0.00312259/step Wall: 9134.11, 0.0031226/step, 1.84927 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2868000 3991.5933 20440.8457 14418.8356 249.6664 -203044.6990 2444.1308 0.0000 0.0000 52144.6628 -109354.9643 299.6761 -161499.6271 -108978.3870 299.2871 407.5725 430.6968 761162.7806 13.8265 13.9858 PRESSURE: 2868200 -143.761 -33.8396 41.5864 -33.8395 -143.404 -43.2685 41.5861 -43.2691 -91.1978 GPRESSURE: 2868200 -143.158 -12.692 55.0859 -111.311 -104.441 19.7767 -2.59189 -26.8998 -56.8241 PRESSAVG: 2868200 -36.7146 -43.8668 32.4845 -43.8668 -0.719971 16.276 32.4845 16.276 -3.30514 GPRESSAVG: 2868200 -38.6102 -43.4991 32.0114 -43.8559 0.148963 16.2149 30.9454 16.3083 -2.36301 TIMING: 2868200 CPU: 9134.74, 0.00313771/step Wall: 9134.74, 0.00313771/step, 1.85805 hours remaining, 234.308594 MB of memory in use. ENERGY: 2868200 3962.6736 20605.1154 14509.0423 241.7769 -203141.2031 2426.4166 0.0000 0.0000 52103.1511 -109293.0273 299.4375 -161396.1783 -108939.4506 299.6325 -126.1210 -101.4743 763192.2549 -13.5799 -13.6081 LDB: ============= START OF LOAD BALANCING ============== 9147.16 LDB: ============== END OF LOAD BALANCING =============== 9147.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9147.17 LDB: ============= START OF LOAD BALANCING ============== 9147.48 LDB: Largest compute 7034 load 0.032233 is 16.5% of average load 0.195538 LDB: Average compute 0.004378 is 2.2% of average load 0.195538 LDB: TIME 9147.48 LOAD: AVG 0.195538 MAX 0.216002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.043 MB LDB: TIME 9147.48 LOAD: AVG 0.195538 MAX 0.216002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: TIME 9147.48 LOAD: AVG 0.195538 MAX 0.216002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: ============== END OF LOAD BALANCING =============== 9147.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9147.49 PRESSURE: 2868400 -97.2368 258.506 -4.87163 258.506 -1.13453 -30.9085 -4.87299 -30.9091 23.7998 GPRESSURE: 2868400 -80.7021 214.405 -47.9689 268.617 50.8552 -44.6933 4.04824 110.101 55.7862 PRESSAVG: 2868400 -16.5839 -45.4035 52.1259 -45.4035 38.3159 -27.1314 52.126 -27.1314 -1.71542 GPRESSAVG: 2868400 -15.2607 -47.7751 53.7247 -44.896 37.2641 -27.6922 52.8974 -28.9641 -1.7206 TIMING: 2868400 CPU: 9135.39, 0.00323323/step Wall: 9135.39, 0.00323323/step, 1.91443 hours remaining, 235.476562 MB of memory in use. ENERGY: 2868400 3937.6926 20424.7991 14423.8376 246.1806 -202646.5080 2109.9665 0.0000 0.0000 52219.4814 -109284.5502 300.1061 -161504.0317 -108921.4702 299.4008 -24.8572 8.6464 761891.5542 6.6722 6.7609 PRESSURE: 2868600 375.254 90.2327 -138.929 90.2322 114.478 22.3432 -138.928 22.3427 377.581 GPRESSURE: 2868600 470.794 89.3273 -119.877 72.0947 121.369 -57.4765 -183.847 51.5716 385.718 PRESSAVG: 2868600 61.0047 -59.2138 0.0536267 -59.2139 -24.9574 -10.8689 0.0536542 -10.869 -31.7459 GPRESSAVG: 2868600 60.5807 -56.7664 0.195685 -59.6617 -23.9009 -10.355 -0.276301 -8.80822 -32.0317 TIMING: 2868600 CPU: 9136.01, 0.00314517/step Wall: 9136.01, 0.00314516/step, 1.86211 hours remaining, 235.675781 MB of memory in use. ENERGY: 2868600 3901.0725 20594.7352 14410.1546 238.7740 -203260.6739 2766.0030 0.0000 0.0000 51886.7141 -109463.2205 298.1937 -161349.9346 -109108.8373 298.8770 289.1045 325.9607 761929.0403 1.4338 1.5494 PRESSURE: 2868800 -242.35 141.793 16.3369 141.794 -372.035 99.4801 16.3363 99.4801 -68.1307 GPRESSURE: 2868800 -199.542 66.9139 -3.87397 220.623 -348.746 197.897 12.7719 -15.9946 -61.8393 PRESSAVG: 2868800 -8.01653 -16.5185 27.7942 -16.5184 -30.9763 72.2307 27.7942 72.2308 -13.0553 GPRESSAVG: 2868800 -8.3193 -16.7619 26.5816 -16.8637 -31.3555 73.131 27.8696 70.4484 -12.351 TIMING: 2868800 CPU: 9136.64, 0.00313523/step Wall: 9136.64, 0.00313523/step, 1.85605 hours remaining, 235.675781 MB of memory in use. ENERGY: 2868800 3922.1729 20518.3086 14477.0922 275.9107 -202810.4271 2103.1069 0.0000 0.0000 51935.2375 -109578.5983 298.4725 -161513.8358 -109213.0095 299.0996 -227.5051 -203.3758 762582.3199 -17.3494 -17.3419 PRESSURE: 2869000 -195.15 -173.139 63.0371 -173.139 -182.895 111.738 63.0363 111.737 -9.48669 GPRESSURE: 2869000 -85.6948 -127.105 47.8851 -208.101 -201.956 64.2798 22.4668 17.5462 -28.9346 PRESSAVG: 2869000 5.11592 -29.9079 -19.4022 -29.9079 -21.0127 -10.1388 -19.4023 -10.1389 -16.2035 GPRESSAVG: 2869000 6.32003 -32.2267 -18.419 -27.8514 -22.0658 -10.4652 -19.4735 -10.1826 -16.3714 TIMING: 2869000 CPU: 9137.26, 0.00311215/step Wall: 9137.26, 0.00311215/step, 1.84222 hours remaining, 235.675781 MB of memory in use. ENERGY: 2869000 3974.2896 20582.2876 14550.2206 212.5487 -203162.0731 2375.7986 0.0000 0.0000 51985.3545 -109481.5736 298.7605 -161466.9280 -109128.0452 298.5749 -129.1772 -105.5284 760285.5103 -10.7001 -10.7057 PRESSURE: 2869200 314.844 -206.504 -129.343 -206.503 64.5999 -107.652 -129.343 -107.652 272.32 GPRESSURE: 2869200 366.474 -295.636 -115.505 -242.024 90.7576 -118.475 -9.40352 -1.35933 259.943 PRESSAVG: 2869200 7.53513 -37.943 -24.391 -37.943 9.42582 5.77486 -24.3911 5.77494 -2.01897 GPRESSAVG: 2869200 7.17356 -36.5789 -23.5121 -37.8446 10.5339 5.97794 -24.8908 5.54543 -2.93348 TIMING: 2869200 CPU: 9137.89, 0.0031294/step Wall: 9137.89, 0.0031294/step, 1.85226 hours remaining, 235.675781 MB of memory in use. ENERGY: 2869200 4014.7821 20513.0813 14370.0992 229.7017 -203239.1634 2501.6050 0.0000 0.0000 52192.7591 -109417.1351 299.9525 -161609.8942 -109062.1095 298.9833 217.2546 239.0581 761826.7882 4.9807 4.9247 PRESSURE: 2869400 -411.735 252.16 -119.374 252.16 245.433 -98.1462 -119.373 -98.1463 -274.258 GPRESSURE: 2869400 -324.965 245.894 -95.2127 135.241 161.674 -57.2379 -167.583 39.9102 -197.661 PRESSAVG: 2869400 2.76292 -41.267 10.019 -41.2669 23.0537 33.3819 10.0189 33.3819 -1.24071 GPRESSAVG: 2869400 2.74223 -41.566 8.84499 -41.9112 21.5748 32.1906 10.1011 35.6387 -0.621267 TIMING: 2869400 CPU: 9138.52, 0.00313455/step Wall: 9138.52, 0.00313455/step, 1.85513 hours remaining, 235.675781 MB of memory in use. ENERGY: 2869400 4042.6586 20646.0670 14380.0656 246.4291 -203280.4541 2555.2634 0.0000 0.0000 51970.8258 -109439.1447 298.6771 -161409.9705 -109067.2613 299.4129 -146.8532 -120.3171 760794.0181 8.1920 7.8986 PRESSURE: 2869600 47.4177 8.85932 172.571 8.85862 -217.833 8.99984 172.572 9.00056 -32.0888 GPRESSURE: 2869600 149.577 -39.9801 117.521 23.9199 -238.972 5.39792 39.7928 54.7704 -10.079 PRESSAVG: 2869600 17.7314 -20.5331 -64.263 -20.5331 -36.983 -18.8022 -64.263 -18.8022 -16.6014 GPRESSAVG: 2869600 18.1854 -19.2189 -64.157 -22.3153 -36.6743 -17.8837 -64.4757 -16.8501 -17.0636 TIMING: 2869600 CPU: 9139.15, 0.00315007/step Wall: 9139.15, 0.00315007/step, 1.86414 hours remaining, 235.675781 MB of memory in use. ENERGY: 2869600 4020.0134 20582.1703 14472.6253 240.0207 -203464.2314 2383.2998 0.0000 0.0000 52171.9726 -109594.1293 299.8330 -161766.1019 -109227.7281 299.1598 -67.5013 -33.1579 759598.6042 -11.9510 -11.8508 PRESSURE: 2869800 28.7031 43.4261 22.4668 43.4255 441.969 203.669 22.4675 203.669 58.3737 GPRESSURE: 2869800 85.6212 196.473 44.2647 -16.7474 478.01 80.8638 -0.208898 242.533 63.9158 PRESSAVG: 2869800 6.9823 -23.4917 -6.37372 -23.4917 -39.7433 10.1413 -6.37382 10.1414 13.1663 GPRESSAVG: 2869800 6.60392 -22.5864 -5.77782 -24.9148 -39.7174 9.19185 -4.94972 9.26689 13.4461 TIMING: 2869800 CPU: 9139.78, 0.00316976/step Wall: 9139.78, 0.00316976/step, 1.87561 hours remaining, 235.675781 MB of memory in use. ENERGY: 2869800 3971.4661 20474.5962 14488.9466 253.3773 -203676.5003 2766.7623 0.0000 0.0000 52167.6783 -109553.6734 299.8084 -161721.3517 -109198.0227 299.0687 176.3485 209.1822 759205.6550 -6.5316 -6.5558 PRESSURE: 2870000 105.462 -215.782 -198.597 -215.782 -108.976 -138.918 -198.597 -138.918 46.2773 GPRESSURE: 2870000 165.576 -193.836 -190.192 -209.983 -84.0319 -75.8176 -230.104 -73.8324 48.8997 PRESSAVG: 2870000 60.4404 -16.0778 -37.2872 -16.0778 -56.0068 -27.4268 -37.2873 -27.4268 -15.9845 GPRESSAVG: 2870000 60.5631 -18.2916 -36.2105 -13.3881 -55.4996 -27.3445 -38.6101 -29.9896 -16.7649 TIMING: 2870000 CPU: 9140.41, 0.00312803/step Wall: 9140.41, 0.00312803/step, 1.85075 hours remaining, 235.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2870000 4012.5489 20491.3451 14450.0904 244.6662 -203611.1429 2639.7147 0.0000 0.0000 52238.7268 -109534.0509 300.2167 -161772.7777 -109173.3480 299.6633 14.2545 43.4813 761463.8712 -3.8503 -3.9005 PRESSURE: 2870200 -315.308 -47.7628 110.664 -47.7627 -152.734 20.2964 110.664 20.2957 -147.369 GPRESSURE: 2870200 -285.988 -128.707 54.5985 -112.602 -158.64 63.6742 110.421 -28.1966 -87.1106 PRESSAVG: 2870200 2.16997 -49.4216 -45.1683 -49.4216 21.352 -37.776 -45.1683 -37.7759 2.60642 GPRESSAVG: 2870200 2.69881 -49.7743 -46.0948 -49.75 20.0999 -36.2836 -46.6125 -37.7386 2.48575 TIMING: 2870200 CPU: 9141.04, 0.00317263/step Wall: 9141.04, 0.00317263/step, 1.87696 hours remaining, 235.675781 MB of memory in use. ENERGY: 2870200 4022.7107 20629.7903 14425.5230 252.7002 -203076.9450 2338.3958 0.0000 0.0000 51921.0120 -109486.8131 298.3908 -161407.8251 -109121.2388 299.2659 -205.1372 -177.2463 762845.9345 8.7095 8.4282 PRESSURE: 2870400 97.1915 -69.9815 -194.38 -69.9821 -390.256 -231.237 -194.38 -231.238 46.4839 GPRESSURE: 2870400 117.675 -16.4639 -163.264 101.733 -284.585 -215.367 -187.697 -193.335 17.7779 PRESSAVG: 2870400 31.9243 -46.2697 -26.7326 -46.2696 -53.4173 26.302 -26.7327 26.302 5.31083 GPRESSAVG: 2870400 31.0175 -44.9539 -28.1314 -44.9572 -53.1696 25.4263 -22.1615 26.9889 5.81129 TIMING: 2870400 CPU: 9141.68, 0.00319051/step Wall: 9141.68, 0.00319051/step, 1.88736 hours remaining, 235.675781 MB of memory in use. ENERGY: 2870400 4029.6673 20545.5858 14481.7022 243.2839 -203087.5897 2173.5030 0.0000 0.0000 52137.7857 -109476.0618 299.6366 -161613.8474 -109113.7905 299.3996 -82.1935 -49.7107 760784.4136 -5.3941 -5.4469 PRESSURE: 2870600 218.769 32.5144 126.073 32.5146 226.13 129.482 126.073 129.482 37.0102 GPRESSURE: 2870600 220.065 118.194 222.444 45.9764 252.144 43.0116 109.838 167.261 96.2591 PRESSAVG: 2870600 46.8203 -55.2241 10.9149 -55.2241 -21.5375 -1.64517 10.9149 -1.64512 -4.76566 GPRESSAVG: 2870600 45.582 -53.7824 10.3925 -56.7798 -20.502 -1.02191 8.57849 -1.78346 -4.4091 TIMING: 2870600 CPU: 9142.31, 0.0031699/step Wall: 9142.31, 0.0031699/step, 1.875 hours remaining, 235.675781 MB of memory in use. ENERGY: 2870600 3941.9878 20567.2907 14390.8236 269.3688 -203760.9443 2977.9700 0.0000 0.0000 52398.9494 -109214.5539 301.1375 -161613.5033 -108864.9838 299.7281 160.6365 189.4893 760723.9750 6.8391 6.8903 PRESSURE: 2870800 250.29 20.0403 14.0715 20.0409 165.774 -216.504 14.0716 -216.504 355.834 GPRESSURE: 2870800 266.551 9.30686 87.9374 3.77376 204.747 -133.602 -21.1948 -106.221 387.709 PRESSAVG: 2870800 59.9785 -76.7696 13.5438 -76.7696 -4.50179 40.6087 13.5437 40.6087 -6.41771 GPRESSAVG: 2870800 61.1747 -77.3009 15.8672 -78.1379 -4.88887 39.3464 13.1766 39.8865 -6.47105 TIMING: 2870800 CPU: 9142.95, 0.00317467/step Wall: 9142.95, 0.00317467/step, 1.87764 hours remaining, 235.675781 MB of memory in use. ENERGY: 2870800 4038.1236 20505.6437 14446.5893 249.4237 -203145.5403 2585.4700 0.0000 0.0000 52284.1130 -109036.1770 300.4775 -161320.2900 -108670.2819 300.0232 257.2994 286.3356 761191.3372 16.3530 16.6049 PRESSURE: 2871000 140.219 -31.4014 227.717 -31.4016 193.8 116.464 227.717 116.463 163.104 GPRESSURE: 2871000 126.163 -84.0851 151.636 126.093 184.027 139.008 257.646 26.6656 249.323 PRESSAVG: 2871000 103.557 -101.39 5.90433 -101.39 -96.6859 12.9294 5.90433 12.9294 13.4434 GPRESSAVG: 2871000 103.235 -102.151 3.89349 -100.136 -96.2727 13.562 6.80087 12.6719 12.8491 TIMING: 2871000 CPU: 9143.58, 0.00314871/step Wall: 9143.58, 0.00314871/step, 1.86211 hours remaining, 235.675781 MB of memory in use. ENERGY: 2871000 4004.8952 20642.7771 14511.3099 246.7899 -203425.0758 2618.5645 0.0000 0.0000 52283.7981 -109116.9410 300.4757 -161400.7392 -108763.6391 300.1667 165.7078 186.5041 761094.0126 6.7715 6.6037 PRESSURE: 2871200 193.865 -247.898 -49.5574 -247.897 -43.9579 68.8123 -49.5571 68.8126 65.6501 GPRESSURE: 2871200 114.581 -214.571 -3.56973 -240.941 31.7793 99.4999 -158.643 18.6853 144.896 PRESSAVG: 2871200 -1.61435 -79.2045 0.298459 -79.2046 -29.9824 18.1662 0.298413 18.1662 12.3028 GPRESSAVG: 2871200 -0.99334 -77.9105 1.19299 -79.9402 -31.7761 19.2563 -1.29193 18.143 12.7793 TIMING: 2871200 CPU: 9144.21, 0.0031558/step Wall: 9144.21, 0.0031558/step, 1.86613 hours remaining, 235.675781 MB of memory in use. ENERGY: 2871200 3955.4059 20672.2455 14515.3325 255.9662 -203050.9387 2459.3397 0.0000 0.0000 52080.2425 -109112.4064 299.3059 -161192.6489 -108747.3258 300.1694 71.8524 97.0855 760379.1165 -6.4313 -6.6634 PRESSURE: 2871400 -155.689 -168.495 83.9385 -168.495 -128.589 -87.273 83.9384 -87.2722 204.754 GPRESSURE: 2871400 -148.916 -228.221 37.6155 -162.194 -38.3066 -118.153 191.561 -144.668 178.915 PRESSAVG: 2871400 26.4772 -37.6887 2.75753 -37.6887 -33.536 33.1597 2.75744 33.1597 -7.65193 GPRESSAVG: 2871400 25.9449 -41.4732 2.63207 -35.2271 -31.6487 31.6863 3.76997 32.8804 -9.16314 TIMING: 2871400 CPU: 9144.84, 0.00316354/step Wall: 9144.84, 0.00316354/step, 1.87053 hours remaining, 235.675781 MB of memory in use. ENERGY: 2871400 3925.0602 20809.6435 14420.1919 254.8024 -203298.8212 2525.8489 0.0000 0.0000 52165.4273 -109197.8469 299.7954 -161363.2742 -108828.0912 299.8005 -26.5076 -2.7692 759579.7340 -4.9036 -4.9556 PRESSURE: 2871600 218.474 -203.846 -42.0424 -203.846 -90.983 -270.307 -42.0414 -270.307 93.631 GPRESSURE: 2871600 263.305 -229.294 -28.0301 -199.397 -70.6091 -287.478 43.919 -192.706 126.453 PRESSAVG: 2871600 8.63453 -41.5267 5.65041 -41.5267 5.63301 -26.2051 5.65051 -26.2051 -6.97432 GPRESSAVG: 2871600 8.49784 -40.189 4.24614 -44.7362 5.08508 -25.4955 5.65495 -26.5556 -5.61147 TIMING: 2871600 CPU: 9145.48, 0.00317047/step Wall: 9145.48, 0.00317047/step, 1.87445 hours remaining, 235.675781 MB of memory in use. ENERGY: 2871600 4014.3418 20740.1214 14436.9383 243.1674 -203759.0024 2996.2431 0.0000 0.0000 52028.4421 -109299.7483 299.0082 -161328.1904 -108937.7108 299.5627 73.7072 106.3831 759598.4821 2.4311 2.6572 PRESSURE: 2871800 -100.524 -103.722 -189.85 -103.722 38.4858 -94.8865 -189.851 -94.8866 33.3765 GPRESSURE: 2871800 -19.6674 -66.8438 -150.255 -110.543 83.4958 -119.433 -56.0951 -31.1635 -5.24994 PRESSAVG: 2871800 38.1862 -73.4181 -25.0289 -73.4181 -26.9348 7.33057 -25.029 7.33063 3.21485 GPRESSAVG: 2871800 39.376 -70.5464 -25.1204 -74.022 -27.9481 6.13446 -24.1062 8.61729 2.32681 TIMING: 2871800 CPU: 9146.11, 0.00318482/step Wall: 9146.11, 0.00318482/step, 1.88276 hours remaining, 235.675781 MB of memory in use. ENERGY: 2871800 3922.4753 20740.4308 14419.2888 243.7483 -203333.8951 2472.1063 0.0000 0.0000 52149.6735 -109386.1721 299.7049 -161535.8456 -109020.1126 299.4658 -9.5539 19.5262 759557.8466 4.8221 4.5849 PRESSURE: 2872000 123.043 -212.48 -0.116979 -212.481 33.8172 -62.9735 -0.116442 -62.973 -337.325 GPRESSURE: 2872000 195.98 -72.195 -22.7058 -136.94 5.7427 -87.3949 6.95625 -107.265 -301.616 PRESSAVG: 2872000 81.7839 -7.18128 -27.5919 -7.18131 -66.7803 -39.8861 -27.592 -39.8862 -9.62845 GPRESSAVG: 2872000 81.3064 -8.19881 -25.7042 -6.13186 -65.6884 -40.1441 -29.5585 -39.8276 -9.29798 TIMING: 2872000 CPU: 9146.75, 0.00316741/step Wall: 9146.75, 0.00316741/step, 1.87229 hours remaining, 235.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2872000 4059.7953 20605.5647 14409.2731 246.6304 -203536.5870 2647.5623 0.0000 0.0000 52237.0746 -109330.6866 300.2072 -161567.7612 -108966.8334 299.9759 -60.1551 -33.2978 759480.1936 1.7917 2.1067 PRESSURE: 2872200 34.9335 -27.043 -15.17 -27.043 -203.464 182.375 -15.17 182.374 155.913 GPRESSURE: 2872200 70.8381 23.033 -13.6057 -30.4199 -107.382 224.544 -35.9946 207.602 105.428 PRESSAVG: 2872200 -3.79517 -78.6118 -37.6016 -78.6118 -30.2144 57.6019 -37.6016 57.6018 -13.2756 GPRESSAVG: 2872200 -2.61152 -77.0477 -37.4652 -79.3754 -30.9755 58.163 -37.0259 56.5764 -13.9144 TIMING: 2872200 CPU: 9147.38, 0.00314645/step Wall: 9147.38, 0.00314644/step, 1.85972 hours remaining, 235.675781 MB of memory in use. ENERGY: 2872200 3910.8965 20753.7342 14439.6208 237.7819 -203891.1371 2943.5276 0.0000 0.0000 52166.6734 -109438.9026 299.8026 -161605.5760 -109075.3904 299.7612 -4.2060 22.9612 760003.2873 -15.7617 -15.8338 LDB: ============= START OF LOAD BALANCING ============== 9159.8 LDB: ============== END OF LOAD BALANCING =============== 9159.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9159.8 LDB: ============= START OF LOAD BALANCING ============== 9160.12 LDB: Largest compute 7034 load 0.034430 is 17.6% of average load 0.195516 LDB: Average compute 0.004400 is 2.3% of average load 0.195516 LDB: TIME 9160.12 LOAD: AVG 0.195516 MAX 0.215631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.098 MB LDB: TIME 9160.12 LOAD: AVG 0.195516 MAX 0.215631 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: TIME 9160.12 LOAD: AVG 0.195516 MAX 0.215631 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: ============== END OF LOAD BALANCING =============== 9160.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9160.13 PRESSURE: 2872400 -170.773 -105.66 23.3878 -105.659 -104.168 44.3997 23.3874 44.3994 -38.0122 GPRESSURE: 2872400 -80.967 -98.8981 -15.7411 -87.3936 -52.1275 -31.7854 46.7666 127.872 -94.0095 PRESSAVG: 2872400 -7.37084 -56.5249 -28.3889 -56.5249 -49.6537 18.9475 -28.3889 18.9474 -11.2447 GPRESSAVG: 2872400 -9.10795 -55.9396 -28.7942 -56.0172 -47.6165 19.3713 -27.4228 20.7474 -11.4389 TIMING: 2872400 CPU: 9148.03, 0.00324909/step Wall: 9148.03, 0.00324909/step, 1.92021 hours remaining, 234.906250 MB of memory in use. ENERGY: 2872400 4006.1757 20610.2995 14539.7403 254.3154 -203300.2073 2602.8039 0.0000 0.0000 51991.2518 -109295.6207 298.7944 -161286.8725 -108934.0075 299.5697 -104.3178 -75.7014 761661.2324 -22.7564 -22.7211 PRESSURE: 2872600 -64.6574 -148.173 -243.117 -148.174 -211.688 -50.2974 -243.118 -50.2976 40.9926 GPRESSURE: 2872600 -148.179 -122.653 -123.012 -56.7653 -70.0013 -24.7165 -252.01 -96.7404 51.6435 PRESSAVG: 2872600 57.0559 -47.5916 -26.4089 -47.5916 -23.3228 -11.8207 -26.4089 -11.8208 -11.3787 GPRESSAVG: 2872600 57.0241 -48.4139 -25.1301 -48.0234 -24.1317 -13.2844 -28.0779 -11.9848 -10.676 TIMING: 2872600 CPU: 9148.66, 0.00316861/step Wall: 9148.66, 0.00316861/step, 1.87247 hours remaining, 234.906250 MB of memory in use. ENERGY: 2872600 4037.7465 20456.5368 14466.7957 232.5507 -203318.1277 2589.2004 0.0000 0.0000 52219.7184 -109315.5793 300.1074 -161535.2977 -108950.2258 299.9226 -78.4511 -55.5121 761125.0256 7.4515 7.4055 PRESSURE: 2872800 164.308 -33.8097 275.625 -33.8097 -226.228 13.0071 275.625 13.0062 -129.806 GPRESSURE: 2872800 195.99 169.887 245.969 -127.658 -203.747 -80.7386 141.857 163.005 -106.554 PRESSAVG: 2872800 81.8468 -4.79314 38.2977 -4.79318 -63.8568 -25.304 38.2977 -25.304 -4.43887 GPRESSAVG: 2872800 81.9671 -5.07805 37.3377 -4.13904 -63.8796 -24.4022 38.4341 -26.0706 -4.50225 TIMING: 2872800 CPU: 9149.28, 0.00311962/step Wall: 9149.28, 0.00311962/step, 1.84335 hours remaining, 234.976562 MB of memory in use. ENERGY: 2872800 3981.3497 20526.7812 14408.7400 232.7830 -203301.8135 2642.8090 0.0000 0.0000 52261.8976 -109247.4530 300.3498 -161509.3505 -108877.4040 299.6625 -63.9086 -38.1038 760935.2475 4.5171 4.5284 PRESSURE: 2873000 449.266 -175.081 -99.5819 -175.082 149.272 72.1829 -99.5819 72.1839 90.7318 GPRESSURE: 2873000 529.511 -113.002 -85.385 -296.423 173.401 -15.57 -193.508 162.382 76.8953 PRESSAVG: 2873000 28.4058 13.5072 71.3924 13.5071 -6.65645 -22.3812 71.3924 -22.3812 -11.4854 GPRESSAVG: 2873000 29.0117 12.5475 70.6539 12.9685 -6.9503 -22.7902 71.8127 -22.4224 -11.5986 TIMING: 2873000 CPU: 9149.91, 0.00312583/step Wall: 9149.91, 0.00312583/step, 1.84685 hours remaining, 234.976562 MB of memory in use. ENERGY: 2873000 3959.5062 20377.7075 14437.3610 259.3448 -202854.7387 2483.6443 0.0000 0.0000 52019.0607 -109318.1141 298.9543 -161337.1749 -108956.0144 299.3023 229.7566 259.9359 760472.4025 3.4213 3.4876 PRESSURE: 2873200 -165.798 -191.738 289.462 -191.738 -55.4924 -12.0913 289.462 -12.0912 4.22532 GPRESSURE: 2873200 -117.641 -132.567 290.877 -171.995 27.6838 37.2326 288.397 -51.3751 -36.4827 PRESSAVG: 2873200 -5.77842 -44.2571 30.1711 -44.257 65.4437 -11.2995 30.171 -11.2996 -6.11108 GPRESSAVG: 2873200 -5.30127 -42.3397 30.7719 -42.4404 65.4568 -9.44152 30.3108 -13.4053 -6.59887 TIMING: 2873200 CPU: 9150.53, 0.00311501/step Wall: 9150.53, 0.00311501/step, 1.84028 hours remaining, 235.179688 MB of memory in use. ENERGY: 2873200 3961.3011 20463.4647 14378.1858 244.8648 -203062.5480 2495.8861 0.0000 0.0000 52006.7795 -109512.0661 298.8837 -161518.8456 -109158.7457 299.5364 -72.3549 -42.1466 761806.6308 17.8514 17.8522 PRESSURE: 2873400 -271.083 -111.626 76.4744 -111.625 -272.455 70.5653 76.4742 70.5649 -8.56529 GPRESSURE: 2873400 -156.861 -28.3834 98.6616 -97.4561 -317.005 22.0535 31.1514 50.6048 20.7746 PRESSAVG: 2873400 91.5221 7.64821 27.9947 7.64824 0.0051416 -16.1663 27.9947 -16.1663 -7.23885 GPRESSAVG: 2873400 91.2611 5.72586 28.0167 4.31111 -0.703385 -16.6457 28.4231 -14.0019 -6.05222 TIMING: 2873400 CPU: 9151.16, 0.00312766/step Wall: 9151.16, 0.00312766/step, 1.84758 hours remaining, 235.179688 MB of memory in use. ENERGY: 2873400 4013.3007 20481.9678 14486.9550 251.8233 -202967.6536 2393.6062 0.0000 0.0000 52071.5676 -109268.4330 299.2560 -161340.0007 -108901.8939 299.5634 -184.0343 -151.0305 762050.5425 28.0961 28.1685 PRESSURE: 2873600 -516.855 -69.0257 32.3895 -69.0266 236.603 87.5997 32.3891 87.5996 -107.966 GPRESSURE: 2873600 -350.541 -134.208 1.66016 -54.002 128.005 169.321 13.5475 72.3564 -66.2756 PRESSAVG: 2873600 5.59786 -51.7715 24.703 -51.7714 -4.76482 13.1039 24.703 13.1039 -13.4634 GPRESSAVG: 2873600 5.15064 -52.3888 23.4051 -46.9149 -3.96437 12.5178 23.6719 14.251 -13.2622 TIMING: 2873600 CPU: 9151.79, 0.00314592/step Wall: 9151.79, 0.00314592/step, 1.85819 hours remaining, 235.250000 MB of memory in use. ENERGY: 2873600 3974.0756 20463.7489 14496.8070 238.0374 -202802.6221 2375.6386 0.0000 0.0000 52099.5805 -109154.7340 299.4170 -161254.3145 -108791.4151 299.9951 -129.4059 -96.2705 760449.1651 -4.2101 -4.0253 PRESSURE: 2873800 -4.33628 8.77704 -25.9445 8.77682 2.85799 20.2375 -25.9446 20.2379 -168.278 GPRESSURE: 2873800 126.353 13.1101 -10.9599 103.988 -7.39286 -2.26061 50.9404 -38.746 -206.163 PRESSAVG: 2873800 -21.059 -58.9555 -36.2724 -58.9555 -11.0442 16.3829 -36.2724 16.383 3.66651 GPRESSAVG: 2873800 -19.6172 -59.3509 -34.0707 -61.9853 -10.6551 15.696 -34.4749 14.9905 1.65978 TIMING: 2873800 CPU: 9152.41, 0.00313511/step Wall: 9152.41, 0.00313511/step, 1.85163 hours remaining, 235.250000 MB of memory in use. ENERGY: 2873800 3973.4276 20529.9404 14438.3038 230.7749 -202902.7211 2171.6527 0.0000 0.0000 52199.2890 -109359.3325 299.9900 -161558.6215 -108994.5362 299.8182 -56.5855 -29.0675 761077.2228 -9.4789 -9.5375 PRESSURE: 2874000 13.9882 2.32322 86.9805 2.32368 -343.597 -221.028 86.9795 -221.028 -164.783 GPRESSURE: 2874000 -115.331 -91.6326 101.662 45.9301 -250.844 -191.318 -86.391 -202.24 -49.7294 PRESSAVG: 2874000 0.972115 -36.3727 22.3113 -36.3728 18.4578 -4.69415 22.3113 -4.69418 -23.8766 GPRESSAVG: 2874000 0.620478 -34.0008 20.6696 -38.3041 17.6889 -3.61427 21.671 -4.47327 -22.7364 TIMING: 2874000 CPU: 9153.04, 0.00311347/step Wall: 9153.04, 0.00311347/step, 1.83868 hours remaining, 235.250000 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: 2874000 3974.3579 20592.4505 14406.6663 225.4081 -202799.1477 2142.9669 0.0000 0.0000 52176.9749 -109280.3230 299.8618 -161457.2979 -108905.9584 299.6514 -164.7974 -138.6347 760877.7799 -1.4822 -1.4757 PRESSURE: 2874200 3.24556 -205.149 122.25 -205.149 -22.8641 83.93 122.251 83.9305 -82.8393 GPRESSURE: 2874200 -27.5325 -171.121 89.649 -245.086 72.3141 138.775 180.991 -149.546 -69.0725 PRESSAVG: 2874200 -19.9783 -62.2741 21.2157 -62.274 45.0381 -19.4275 21.2157 -19.4275 7.83197 GPRESSAVG: 2874200 -21.6493 -64.3675 20.8256 -59.7594 46.0664 -19.6826 19.7978 -19.9545 8.69045 TIMING: 2874200 CPU: 9153.67, 0.00314778/step Wall: 9153.67, 0.00314778/step, 1.85876 hours remaining, 235.250000 MB of memory in use. ENERGY: 2874200 3932.1993 20387.0118 14434.7722 228.5328 -202989.4732 2324.9225 0.0000 0.0000 52052.6387 -109629.3959 299.1472 -161682.0346 -109264.2707 299.3493 -34.1526 -8.0970 760121.8117 10.9639 11.0359 PRESSURE: 2874400 -326.889 18.9698 -152.717 18.9705 -205.862 -185.601 -152.717 -185.6 173.001 GPRESSURE: 2874400 -244.997 -0.837937 -80.7857 116.833 -149.492 -121.364 -280.11 -243.271 141.657 PRESSAVG: 2874400 36.0865 -43.1869 -34.8873 -43.1868 -9.30975 -26.8352 -34.8873 -26.8352 -3.61827 GPRESSAVG: 2874400 36.6257 -41.014 -33.6249 -44.1785 -9.16604 -26.6458 -36.055 -26.4216 -4.19717 TIMING: 2874400 CPU: 9154.29, 0.00314465/step Wall: 9154.29, 0.00314466/step, 1.85674 hours remaining, 235.250000 MB of memory in use. ENERGY: 2874400 3948.2889 20414.5688 14385.8608 263.7797 -202949.7460 2309.7589 0.0000 0.0000 52142.1166 -109485.3724 299.6615 -161627.4889 -109119.7376 299.0333 -119.9166 -84.2772 761193.0970 7.7195 7.7542 PRESSURE: 2874600 -65.4702 -254.426 -312.6 -254.426 -193.865 1.1894 -312.6 1.18938 -157.693 GPRESSURE: 2874600 -5.48958 -142.516 -331.887 -292.002 -146.85 7.02117 -260.641 -53.1186 -193.801 PRESSAVG: 2874600 54.7106 -4.69191 -37.3139 -4.69193 -30.5948 17.7896 -37.314 17.7895 11.4324 GPRESSAVG: 2874600 55.1791 -4.27825 -37.4258 -5.18404 -30.6463 16.7285 -37.6808 19.5376 11.257 TIMING: 2874600 CPU: 9154.92, 0.00313002/step Wall: 9154.92, 0.00313002/step, 1.84793 hours remaining, 235.250000 MB of memory in use. ENERGY: 2874600 3943.0550 20599.9190 14461.2365 247.5174 -203385.6591 2505.2900 0.0000 0.0000 51987.2832 -109641.3579 298.7716 -161628.6411 -109278.1048 299.2860 -139.0094 -115.3801 760441.0410 11.8494 11.9299 PRESSURE: 2874800 379.317 25.8872 60.6462 25.8874 339.505 -100.877 60.6467 -100.878 22.5278 GPRESSURE: 2874800 391.323 80.5053 -5.09932 -116.808 379.142 -163.823 28.9902 24.3159 52.37 PRESSAVG: 2874800 52.4337 -48.1293 -1.89754 -48.1293 -71.8651 -9.51244 -1.89754 -9.51245 15.0854 GPRESSAVG: 2874800 51.2208 -48.8323 -2.48689 -46.8076 -70.7847 -9.35197 -0.392665 -10.34 15.2679 TIMING: 2874800 CPU: 9155.55, 0.00312663/step Wall: 9155.55, 0.00312663/step, 1.84575 hours remaining, 235.250000 MB of memory in use. ENERGY: 2874800 3988.4410 20401.6482 14483.8370 253.5723 -203173.3241 2307.0026 0.0000 0.0000 52205.8868 -109532.9361 300.0279 -161738.8229 -109166.1460 299.4513 247.1166 274.2784 759927.8011 -1.4487 -1.4320 PRESSURE: 2875000 -291.728 7.79813 -166.702 7.79755 136.628 -25.9164 -166.702 -25.9154 -147.781 GPRESSURE: 2875000 -102.602 20.0164 -158.115 -0.0713853 74.9011 -77.4089 -122.196 -100.605 -166.617 PRESSAVG: 2875000 9.10201 -73.3904 17.935 -73.3903 -26.2117 -3.92364 17.935 -3.92356 -4.0788 GPRESSAVG: 2875000 11.0308 -74.1745 17.7631 -74.435 -28.507 -1.43441 19.2747 -4.5676 -3.88554 TIMING: 2875000 CPU: 9156.17, 0.00313062/step Wall: 9156.17, 0.00313062/step, 1.84793 hours remaining, 235.250000 MB of memory in use. ENERGY: 2875000 4000.0281 20346.4978 14477.6624 267.7639 -203256.4525 2413.9402 0.0000 0.0000 52129.8387 -109620.7214 299.5909 -161750.5601 -109246.6699 299.3577 -100.9604 -64.7727 760495.0443 -7.0628 -7.1206 PRESSURE: 2875200 79.365 110.265 -44.131 110.265 -314.561 225.576 -44.1306 225.576 -56.2551 GPRESSURE: 2875200 92.8496 239.794 28.9945 59.8338 -294.535 146.917 -129.296 201.694 10.8015 PRESSAVG: 2875200 7.45108 8.77904 -4.33145 8.77902 -5.09446 2.74449 -4.33146 2.74444 -4.59362 GPRESSAVG: 2875200 7.31375 8.18065 -4.20742 12.1232 -4.86525 1.31303 -3.94767 2.56105 -4.67169 TIMING: 2875200 CPU: 9156.8, 0.00312391/step Wall: 9156.8, 0.00312391/step, 1.8438 hours remaining, 235.250000 MB of memory in use. ENERGY: 2875200 3965.7248 20499.4717 14373.3066 244.0927 -202832.6703 2175.5773 0.0000 0.0000 52111.3774 -109463.1198 299.4848 -161574.4972 -109098.9597 299.2500 -97.1505 -63.6279 760543.7084 -0.7457 -0.7411 PRESSURE: 2875400 191.77 -149.674 -36.9534 -149.674 113.977 92.1051 -36.9534 92.1057 403.591 GPRESSURE: 2875400 265.067 -19.6651 -49.499 -69.8211 163.546 168.577 -58.2322 103.939 338.625 PRESSAVG: 2875400 82.6158 -7.0847 -3.55885 -7.08459 -60.869 -14.0891 -3.55885 -14.0892 18.2274 GPRESSAVG: 2875400 84.0397 -8.53211 -2.64925 -7.58218 -62.194 -12.8928 -5.03913 -13.9767 17.7181 TIMING: 2875400 CPU: 9157.42, 0.00311526/step Wall: 9157.42, 0.00311526/step, 1.83852 hours remaining, 235.250000 MB of memory in use. ENERGY: 2875400 3994.0078 20528.8980 14467.9206 236.0105 -202977.8832 2447.5463 0.0000 0.0000 51982.1481 -109321.3518 298.7421 -161303.4999 -108951.6271 299.4002 236.4459 255.7461 760782.1771 13.3247 13.1879 PRESSURE: 2875600 8.20791 162.899 -57.0928 162.899 -115.262 -224.456 -57.0924 -224.456 -232.492 GPRESSURE: 2875600 -30.2544 106.223 15.3335 199.03 -81.0158 -217.824 -223.386 -82.3751 -154.894 PRESSAVG: 2875600 -36.9184 -34.0587 -7.64648 -34.0587 -16.553 -0.112077 -7.64653 -0.112037 8.79784 GPRESSAVG: 2875600 -39.0204 -33.7375 -8.08556 -35.9807 -14.6307 -1.76403 -7.74405 0.510583 8.56633 TIMING: 2875600 CPU: 9158.04, 0.00312617/step Wall: 9158.04, 0.00312617/step, 1.84479 hours remaining, 235.250000 MB of memory in use. ENERGY: 2875600 3933.2073 20471.4850 14477.2040 289.3262 -202844.4529 2119.8444 0.0000 0.0000 51968.4066 -109584.9794 298.6631 -161553.3860 -109226.5408 299.3707 -113.1819 -88.7213 759586.9514 -14.8912 -15.0283 PRESSURE: 2875800 -516.753 -40.2282 -55.6159 -40.2277 -220.331 -61.3388 -55.6158 -61.3391 -181.064 GPRESSURE: 2875800 -413.12 -66.4112 -7.91916 -129.752 -151.885 -21.7475 -119.253 -123.373 -244.954 PRESSAVG: 2875800 -3.30326 -61.9036 -75.3381 -61.9036 43.6629 -16.152 -75.3381 -16.1519 -23.3864 GPRESSAVG: 2875800 -3.36232 -60.4388 -75.4641 -62.2375 43.8963 -15.7286 -75.1734 -16.1819 -23.6108 TIMING: 2875800 CPU: 9158.67, 0.0031227/step Wall: 9158.67, 0.0031227/step, 1.84257 hours remaining, 235.250000 MB of memory in use. ENERGY: 2875800 4009.8228 20464.3644 14379.3930 237.6300 -202986.8837 2287.1350 0.0000 0.0000 52032.8192 -109575.7192 299.0333 -161608.5385 -109217.6235 298.7227 -306.0495 -269.9866 761750.8367 5.6578 5.6411 PRESSURE: 2876000 -195.979 -107.445 406.279 -107.445 16.7597 51.7517 406.279 51.7515 -138.619 GPRESSURE: 2876000 -216.028 -103.506 382.255 -126.155 46.5674 48.201 230.178 170.354 -75.1185 PRESSAVG: 2876000 -3.56075 -6.93573 -3.04201 -6.93577 21.4857 20.6934 -3.04202 20.6934 16.3677 GPRESSAVG: 2876000 -3.8155 -7.73895 -3.20543 -6.10956 21.0895 20.9152 -2.14903 21.7921 16.374 TIMING: 2876000 CPU: 9159.29, 0.00312572/step Wall: 9159.29, 0.00312572/step, 1.84418 hours remaining, 235.250000 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: 2876000 4087.1470 20517.8725 14360.0979 234.0979 -203040.7123 2336.2741 0.0000 0.0000 52039.9328 -109465.2901 299.0742 -161505.2229 -109112.0154 299.3472 -105.9460 -81.5266 760283.7095 11.4309 11.2160 PRESSURE: 2876200 37.4952 -220.584 -2.84474 -220.584 66.9399 -90.2067 -2.8439 -90.2051 -479.005 GPRESSURE: 2876200 54.8734 -178.422 -87.4038 -206.081 88.7811 -110.367 -25.0228 -64.835 -420.99 PRESSAVG: 2876200 31.364 -23.5722 54.572 -23.5722 -31.0638 12.5499 54.572 12.55 -28.7902 GPRESSAVG: 2876200 31.668 -23.5452 54.5317 -23.6997 -31.0704 12.7595 53.405 10.4346 -28.9948 TIMING: 2876200 CPU: 9159.92, 0.00311566/step Wall: 9159.92, 0.00311566/step, 1.83806 hours remaining, 235.250000 MB of memory in use. ENERGY: 2876200 3987.0710 20605.4315 14413.1150 234.9994 -203231.0389 2408.0151 0.0000 0.0000 52086.8784 -109495.5285 299.3440 -161582.4069 -109135.3392 299.3329 -124.8566 -92.4451 761011.9248 -9.4967 -9.4657 LDB: ============= START OF LOAD BALANCING ============== 9172.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9172.34 LDB: =============== DONE WITH MIGRATION ================ 9172.34 LDB: ============= START OF LOAD BALANCING ============== 9172.65 LDB: Largest compute 7048 load 0.030502 is 15.6% of average load 0.195493 LDB: Average compute 0.004412 is 2.3% of average load 0.195493 LDB: TIME 9172.65 LOAD: AVG 0.195493 MAX 0.222176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.664 MB LDB: TIME 9172.66 LOAD: AVG 0.195493 MAX 0.222176 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: TIME 9172.66 LOAD: AVG 0.195493 MAX 0.217008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: ============== END OF LOAD BALANCING =============== 9172.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9172.66 PRESSURE: 2876400 204.476 -241.096 26.6188 -241.096 -238.134 21.4044 26.618 21.4043 -5.87641 GPRESSURE: 2876400 199.292 -10.8015 -6.75679 -332.718 -193.183 -39.4352 3.70502 32.4716 52.1582 PRESSAVG: 2876400 55.9898 -38.4381 38.4993 -38.4381 -35.0758 -38.8812 38.4992 -38.8812 -24.4425 GPRESSAVG: 2876400 54.8467 -37.6338 38.2925 -38.0967 -35.9143 -38.2719 39.8826 -38.0485 -22.969 TIMING: 2876400 CPU: 9160.56, 0.00319264/step Wall: 9160.56, 0.00319264/step, 1.8833 hours remaining, 233.562500 MB of memory in use. ENERGY: 2876400 4051.8162 20562.7989 14430.2956 255.5353 -203418.5603 2433.2766 0.0000 0.0000 52168.7411 -109516.0967 299.8145 -161684.8377 -109162.3275 299.4998 -13.1781 19.4226 760309.9862 -1.1762 -1.3455 PRESSURE: 2876600 -266.516 -91.5481 -113.799 -91.5485 -42.5801 -335.416 -113.799 -335.415 -188.716 GPRESSURE: 2876600 -148.114 -17.8003 -66.1508 -49.6891 -99.1901 -316.639 -201.382 -344.052 -165.959 PRESSAVG: 2876600 20.6158 -52.7971 -7.77238 -52.7971 -66.6088 -82.6274 -7.77238 -82.6274 -16.2221 GPRESSAVG: 2876600 21.2159 -52.3328 -7.92138 -53.9637 -65.6522 -82.1104 -6.62306 -83.5333 -17.7358 TIMING: 2876600 CPU: 9161.18, 0.00313679/step Wall: 9161.18, 0.00313679/step, 1.85018 hours remaining, 233.816406 MB of memory in use. ENERGY: 2876600 4028.5765 20664.7677 14505.0656 249.6589 -203130.6285 2323.0538 0.0000 0.0000 51895.3754 -109464.1307 298.2434 -161359.5061 -109102.3853 299.5886 -165.9372 -137.7544 761260.5062 -20.7384 -20.7240 PRESSURE: 2876800 141.447 184.476 -21.9804 184.477 -8.72257 -8.8429 -21.9804 -8.84301 159.17 GPRESSURE: 2876800 183.898 122.923 7.18179 153.156 57.4413 -8.46959 3.00298 13.1822 138.975 PRESSAVG: 2876800 33.7432 19.2389 -56.2575 19.2389 -14.5484 24.0479 -56.2575 24.048 -3.4287 GPRESSAVG: 2876800 32.1694 19.0732 -56.6835 19.9235 -13.9118 23.3924 -57.3051 25.8396 -2.27978 TIMING: 2876800 CPU: 9161.81, 0.00314635/step Wall: 9161.81, 0.00314635/step, 1.85565 hours remaining, 233.886719 MB of memory in use. ENERGY: 2876800 4046.8242 20564.6366 14511.3512 233.5735 -203657.9524 2724.3260 0.0000 0.0000 52165.3471 -109411.8938 299.7950 -161577.2409 -109049.2374 299.5648 97.2980 126.7716 760890.9041 5.2554 5.3260 PRESSURE: 2877000 193.824 -154.147 153.943 -154.146 -371.842 -84.3661 153.943 -84.3664 -1.02414 GPRESSURE: 2877000 134.072 -147.681 216.657 -31.0163 -300.086 -76.0476 99.9767 -178.649 67.8441 PRESSAVG: 2877000 32.9042 -30.9709 -23.911 -30.9708 -38.8386 -0.251518 -23.911 -0.251514 -0.021404 GPRESSAVG: 2877000 33.2022 -31.8016 -23.0591 -31.788 -39.7538 1.00221 -24.7197 -1.6197 1.38949 TIMING: 2877000 CPU: 9162.44, 0.00311463/step Wall: 9162.44, 0.00311463/step, 1.83677 hours remaining, 233.886719 MB of memory in use. ENERGY: 2877000 4035.4027 20716.0964 14426.8652 249.0815 -203052.1461 2104.7249 0.0000 0.0000 51903.1977 -109616.7777 298.2884 -161519.9754 -109258.8591 299.7277 -59.6809 -32.7232 760635.1085 -1.9853 -1.7207 PRESSURE: 2877200 -102.85 32.2534 128.339 32.252 -113.505 19.5943 128.34 19.5941 -162.533 GPRESSURE: 2877200 10.6406 159.89 75.1386 52.4289 -165.908 90.757 56.1203 -53.8228 -135.522 PRESSAVG: 2877200 32.2063 -22.6845 18.7419 -22.6845 -45.2066 -31.9853 18.742 -31.9854 2.90486 GPRESSAVG: 2877200 32.85 -21.9112 19.3832 -22.5527 -44.8284 -30.9339 18.1703 -33.6319 1.73847 TIMING: 2877200 CPU: 9163.06, 0.00314485/step Wall: 9163.06, 0.00314485/step, 1.85441 hours remaining, 233.886719 MB of memory in use. ENERGY: 2877200 3995.5383 20597.4239 14460.5843 233.9937 -203261.3733 2389.1395 0.0000 0.0000 51961.4243 -109623.2692 298.6230 -161584.6936 -109255.4315 299.2107 -126.2963 -96.9298 760731.8725 -3.3651 -3.4133 PRESSURE: 2877400 13.6241 -172.557 -69.4929 -172.557 -190.429 -91.1019 -69.4927 -91.1012 -588.878 GPRESSURE: 2877400 27.9715 -170.95 -151.655 -134.982 -194.46 -88.0163 -54.6224 47.2502 -516.74 PRESSAVG: 2877400 -7.95207 8.44243 27.9607 8.44239 -12.6833 40.4231 27.9608 40.4231 18.3374 GPRESSAVG: 2877400 -7.28255 8.33975 26.7593 7.19546 -12.6581 37.2122 30.2682 43.2985 17.4475 TIMING: 2877400 CPU: 9163.7, 0.00315399/step Wall: 9163.7, 0.00315399/step, 1.85963 hours remaining, 233.886719 MB of memory in use. ENERGY: 2877400 4097.6292 20609.4267 14538.4416 257.3366 -203445.4640 2355.0847 0.0000 0.0000 52062.2772 -109525.2681 299.2026 -161587.5453 -109159.5785 299.4934 -255.2274 -227.7430 758921.5620 -0.7660 -0.8310 PRESSURE: 2877600 -167.366 159.499 138.032 159.5 -40.4375 5.7838 138.033 5.78333 90.9369 GPRESSURE: 2877600 -98.5715 185.465 233.221 167.483 -50.5345 37.4251 69.4893 12.3493 109.588 PRESSAVG: 2877600 2.7341 -38.4203 76.4914 -38.4204 -30.6633 9.30724 76.4914 9.30714 3.3283 GPRESSAVG: 2877600 2.68038 -39.4419 75.8437 -37.278 -30.8683 10.5084 76.8381 7.53999 3.56317 TIMING: 2877600 CPU: 9164.33, 0.00316069/step Wall: 9164.33, 0.00316069/step, 1.8634 hours remaining, 233.941406 MB of memory in use. ENERGY: 2877600 4011.8723 20548.1340 14491.4609 240.2575 -203589.3601 2544.7448 0.0000 0.0000 52105.0625 -109647.8282 299.4485 -161752.8906 -109285.2106 299.2782 -38.9555 -13.1726 758116.8096 -8.2003 -8.2083 PRESSURE: 2877800 349.556 47.9476 31.6439 47.9474 207.655 -50.9233 31.6447 -50.9238 13.3552 GPRESSURE: 2877800 346.693 53.8561 114.55 71.6496 290.997 31.594 -135.891 -173.82 11.8317 PRESSAVG: 2877800 85.3147 -6.80163 1.94647 -6.80161 -44.218 37.7672 1.94644 37.7672 -17.3603 GPRESSAVG: 2877800 84.6465 -6.47018 3.1044 -7.07753 -43.4311 37.6828 -0.392372 39.5625 -17.7843 TIMING: 2877800 CPU: 9164.96, 0.00313855/step Wall: 9164.96, 0.00313855/step, 1.85017 hours remaining, 233.976562 MB of memory in use. ENERGY: 2877800 3921.2010 20701.6347 14461.1907 241.3868 -203778.3384 2726.2487 0.0000 0.0000 52169.2123 -109557.4642 299.8172 -161726.6765 -109208.2220 299.4594 190.1887 216.5073 758642.4902 7.9121 7.8104 PRESSURE: 2878000 -78.2804 -20.8861 362.565 -20.8867 173.256 45.0687 362.566 45.0696 347.713 GPRESSURE: 2878000 24.4581 17.3286 386.874 18.8141 93.9344 90.4907 372.272 2.07593 393.122 PRESSAVG: 2878000 -41.8902 -2.11201 3.07067 -2.11201 19.5057 28.3395 3.07076 28.3396 -13.8567 GPRESSAVG: 2878000 -41.7445 -1.7496 2.70629 -2.23432 18.6733 27.7649 3.57836 27.4285 -13.4749 TIMING: 2878000 CPU: 9165.59, 0.00315411/step Wall: 9165.59, 0.00315411/step, 1.85917 hours remaining, 233.976562 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: 2878000 3963.4335 20584.1620 14462.8496 267.5767 -203498.1262 2719.3260 0.0000 0.0000 52002.0402 -109498.7382 298.8564 -161500.7784 -109146.4968 299.5384 147.5628 170.5048 760296.0319 -12.0804 -12.1820 PRESSURE: 2878200 375.253 -40.3575 -185.273 -40.357 -154.42 261.878 -185.273 261.877 -187.699 GPRESSURE: 2878200 393.223 -71.9484 -242.568 -160.713 -218.563 181.415 -153.455 148.714 -58.2224 PRESSAVG: 2878200 29.7861 -39.4324 28.3693 -39.4324 -24.6986 9.86929 28.3693 9.86925 5.80963 GPRESSAVG: 2878200 29.2715 -37.4353 28.9939 -40.2883 -24.5295 10.8003 27.356 9.37155 6.33256 TIMING: 2878200 CPU: 9166.22, 0.00316147/step Wall: 9166.22, 0.00316147/step, 1.86333 hours remaining, 233.976562 MB of memory in use. ENERGY: 2878200 3945.0021 20548.3047 14497.4446 270.5413 -203237.6976 2554.3716 0.0000 0.0000 52170.3229 -109251.7106 299.8236 -161422.0334 -108889.3270 299.9903 11.0450 38.8126 760415.5863 3.6324 3.6915 PRESSURE: 2878400 270.39 -34.39 13.6763 -34.3896 10.0964 -167.607 13.6758 -167.607 40.8759 GPRESSURE: 2878400 278.853 17.6983 -103.79 -34.8098 84.5308 -136.726 66.0942 -143.764 78.0025 PRESSAVG: 2878400 16.1163 38.3952 -0.217121 38.3952 44.3851 28.4946 -0.21709 28.4946 23.2117 GPRESSAVG: 2878400 16.7002 35.6212 0.249423 41.7044 44.7924 27.7211 1.30225 28.0619 22.8028 TIMING: 2878400 CPU: 9166.85, 0.00315475/step Wall: 9166.85, 0.00315475/step, 1.8592 hours remaining, 233.976562 MB of memory in use. ENERGY: 2878400 4013.9038 20503.9786 14450.7029 253.8834 -203598.1403 2680.3585 0.0000 0.0000 52138.1345 -109557.1786 299.6386 -161695.3131 -109197.1082 299.6667 107.1208 147.1289 758137.0320 27.9044 28.0985 PRESSURE: 2878600 -7.26676 -20.6013 130.931 -20.6018 49.7994 -89.5256 130.931 -89.5252 208.246 GPRESSURE: 2878600 25.6314 -14.916 168.523 24.0748 77.2429 -93.7469 145.407 -36.4992 210.686 PRESSAVG: 2878600 4.32759 11.9359 6.2265 11.9359 2.18972 8.42194 6.22647 8.42192 -31.5049 GPRESSAVG: 2878600 5.03824 13.0928 5.09809 10.5491 1.00666 8.22003 6.49382 8.51327 -31.4308 TIMING: 2878600 CPU: 9167.48, 0.00314234/step Wall: 9167.48, 0.00314234/step, 1.85171 hours remaining, 233.976562 MB of memory in use. ENERGY: 2878600 4021.6612 20536.0971 14427.9695 255.1954 -203547.6170 2508.5070 0.0000 0.0000 52271.1620 -109527.0248 300.4031 -161798.1869 -109163.5835 299.5764 83.5928 104.5202 760521.1702 -8.3292 -8.4620 PRESSURE: 2878800 285.19 -61.4323 -32.1623 -61.4335 91.6434 -121.64 -32.1617 -121.642 107.038 GPRESSURE: 2878800 336.243 -57.43 10.4225 -83.0435 125.831 -100.198 48.7558 -89.67 100.784 PRESSAVG: 2878800 -33.2616 -39.8826 -62.9895 -39.8825 -16.7151 25.587 -62.9895 25.587 30.0446 GPRESSAVG: 2878800 -35.0289 -39.4826 -62.6934 -41.4231 -15.7804 25.5076 -62.4091 25.351 30.5468 TIMING: 2878800 CPU: 9168.1, 0.00312231/step Wall: 9168.1, 0.00312231/step, 1.83973 hours remaining, 233.976562 MB of memory in use. ENERGY: 2878800 3903.4450 20617.0727 14475.1459 235.3859 -203601.3739 2763.4220 0.0000 0.0000 52103.3383 -109503.5640 299.4386 -161606.9023 -109129.7643 299.5893 161.2903 187.6193 760923.5699 -6.6440 -6.7542 PRESSURE: 2879000 144.289 -89.1589 30.8554 -89.1596 116.136 105.214 30.8561 105.213 -175.149 GPRESSURE: 2879000 173.397 -81.8755 20.322 10.4609 28.2047 76.2188 31.5195 49.0267 -61.7676 PRESSAVG: 2879000 68.1625 -47.3139 -28.3305 -47.3139 -30.8355 -4.28516 -28.3305 -4.28511 -22.052 GPRESSAVG: 2879000 68.1171 -47.7125 -28.677 -45.1626 -31.3488 -3.42525 -28.6993 -3.69186 -21.9859 TIMING: 2879000 CPU: 9168.73, 0.00312129/step Wall: 9168.73, 0.00312129/step, 1.83896 hours remaining, 233.976562 MB of memory in use. ENERGY: 2879000 4001.9675 20391.4236 14395.2816 251.7498 -204002.2393 2933.3237 0.0000 0.0000 52360.3308 -109668.1622 300.9155 -162028.4929 -109295.3570 299.3029 28.4255 46.6114 760452.0589 5.0916 4.9275 PRESSURE: 2879200 -17.3289 -132.435 -15.6754 -132.435 -39.5203 -77.6838 -15.6762 -77.6833 -280.416 GPRESSURE: 2879200 86.2937 -206.828 -80.7653 -162.544 1.37131 -49.0337 123.857 -88.4652 -321.633 PRESSAVG: 2879200 53.9236 -53.0574 29.4469 -53.0574 -103.901 -1.438 29.4469 -1.438 -9.93577 GPRESSAVG: 2879200 55.6569 -56.4483 29.3554 -53.0817 -104.303 -2.05049 28.5797 -1.69869 -10.8398 TIMING: 2879200 CPU: 9169.35, 0.00311553/step Wall: 9169.35, 0.00311553/step, 1.83539 hours remaining, 233.976562 MB of memory in use. ENERGY: 2879200 4087.7149 20216.7657 14496.1101 239.7678 -203454.0171 2675.3384 0.0000 0.0000 51930.9360 -109807.3840 298.4478 -161738.3200 -109442.7306 298.6855 -112.4217 -77.9892 760158.7560 -19.9709 -19.8286 PRESSURE: 2879400 -414.045 96.6199 130.32 96.62 -154.957 130.517 130.32 130.517 348.674 GPRESSURE: 2879400 -473.834 144.216 -12.697 209.48 12.5985 201.326 106.122 147.859 335.341 PRESSAVG: 2879400 -35.6378 -51.6205 63.0049 -51.6205 0.682777 -30.5146 63.0049 -30.5147 -1.25978 GPRESSAVG: 2879400 -37.0306 -47.8434 63.2842 -54.1688 2.65566 -30.9262 60.6784 -28.9125 -1.42149 TIMING: 2879400 CPU: 9169.97, 0.00312484/step Wall: 9169.97, 0.00312484/step, 1.84071 hours remaining, 233.976562 MB of memory in use. ENERGY: 2879400 3988.8146 20355.5508 14419.0262 233.3218 -203083.0565 2254.7972 0.0000 0.0000 51972.4086 -109859.1373 298.6861 -161831.5459 -109496.7490 298.9191 -73.4424 -41.9648 759417.2277 -12.0716 -11.9321 PRESSURE: 2879600 -99.6718 147.359 -132.419 147.36 389.685 163.203 -132.42 163.202 -246.113 GPRESSURE: 2879600 -13.0552 136.622 -143.029 10.7623 307.243 138.607 -71.9419 65.5053 -135.383 PRESSAVG: 2879600 3.39349 -32.0927 47.3816 -32.0927 20.03 -28.5778 47.3816 -28.5779 13.535 GPRESSAVG: 2879600 3.94144 -31.2901 45.9858 -32.3614 19.0361 -27.8438 50.4079 -29.7628 14.2315 TIMING: 2879600 CPU: 9170.6, 0.00313998/step Wall: 9170.6, 0.00313998/step, 1.84945 hours remaining, 233.976562 MB of memory in use. ENERGY: 2879600 3981.1958 20483.0006 14497.4015 241.8655 -203812.0300 2773.8246 0.0000 0.0000 52051.8409 -109782.9011 299.1426 -161834.7420 -109425.6058 298.7566 14.6335 52.9349 759425.4858 12.3195 12.4030 PRESSURE: 2879800 -109.65 105.718 47.9494 105.718 -542.906 -150.701 47.9499 -150.702 -115.835 GPRESSURE: 2879800 -122.002 2.62428 14.9983 169.575 -485.28 -209.146 25.4718 -142.961 -53.2292 PRESSAVG: 2879800 -16.0519 -45.3557 21.9254 -45.3556 17.8735 -29.6674 21.9255 -29.6674 -5.09601 GPRESSAVG: 2879800 -17.3785 -46.9141 22.995 -43.861 17.6701 -31.5712 19.7465 -28.5408 -3.71325 TIMING: 2879800 CPU: 9171.23, 0.00312629/step Wall: 9171.23, 0.00312629/step, 1.84121 hours remaining, 233.976562 MB of memory in use. ENERGY: 2879800 3936.5232 20508.2751 14507.0037 234.7444 -203054.9722 2164.8593 0.0000 0.0000 51827.7752 -109875.7913 297.8549 -161703.5665 -109507.7281 298.7874 -256.1305 -220.1707 760471.0788 -1.0915 -1.1405 PRESSURE: 2880000 -6.74673 78.376 -174.764 78.3758 117.321 0.551839 -174.765 0.551571 176.745 GPRESSURE: 2880000 85.9495 57.542 -212.49 64.8913 195.967 30.5668 -91.0406 -81.3848 88.1853 PRESSAVG: 2880000 -70.7577 24.7943 -11.9351 24.7944 70.0229 -11.516 -11.9351 -11.516 32.8493 GPRESSAVG: 2880000 -68.966 21.0466 -12.4233 27.2391 69.9973 -9.3677 -11.3061 -14.2169 31.3039 TIMING: 2880000 CPU: 9171.86, 0.0031457/step Wall: 9171.86, 0.0031457/step, 1.85247 hours remaining, 233.976562 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: 2880000 3926.7246 20618.5574 14384.1051 236.1813 -203229.3280 2525.1598 0.0000 0.0000 51812.3371 -109726.2627 297.7662 -161538.5999 -109360.3321 298.4980 95.7730 123.3671 761303.6776 10.7048 10.7784 PRESSURE: 2880200 -125.263 240.171 -52.1341 240.172 -245.702 28.7559 -52.1337 28.7556 -401.036 GPRESSURE: 2880200 -179.944 263.705 -115.998 220.572 -201.762 91.559 76.3442 -20.0558 -300.172 PRESSAVG: 2880200 -10.9808 3.60948 33.7304 3.60952 16.2824 -45.7586 33.7304 -45.7584 -22.1313 GPRESSAVG: 2880200 -11.9883 6.59544 34.0403 2.20076 16.382 -45.0357 34.7774 -43.9972 -21.1826 TIMING: 2880200 CPU: 9172.48, 0.0031314/step Wall: 9172.48, 0.0031314/step, 1.84387 hours remaining, 233.976562 MB of memory in use. ENERGY: 2880200 4010.4263 20549.4017 14457.2065 229.3712 -203147.1826 2250.8732 0.0000 0.0000 51843.6147 -109806.2890 297.9460 -161649.9038 -109427.7028 298.2393 -257.3338 -227.2929 760860.3178 -5.6099 -5.5963 LDB: ============= START OF LOAD BALANCING ============== 9184.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9184.9 LDB: =============== DONE WITH MIGRATION ================ 9184.91 LDB: ============= START OF LOAD BALANCING ============== 9185.22 LDB: Largest compute 7034 load 0.031124 is 15.9% of average load 0.195413 LDB: Average compute 0.004383 is 2.2% of average load 0.195413 LDB: TIME 9185.22 LOAD: AVG 0.195413 MAX 0.216133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.359 MB LDB: TIME 9185.22 LOAD: AVG 0.195413 MAX 0.216133 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: TIME 9185.22 LOAD: AVG 0.195413 MAX 0.216133 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: ============== END OF LOAD BALANCING =============== 9185.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9185.23 PRESSURE: 2880400 -49.3027 -80.046 -7.81862 -80.0454 -121.569 -157.738 -7.8189 -157.737 432.592 GPRESSURE: 2880400 37.9341 -38.486 -47.2044 -64.6125 -49.5747 -83.4763 65.4644 -95.5603 371.582 PRESSAVG: 2880400 24.5039 28.9393 -25.9215 28.9393 0.413276 -9.44878 -25.9215 -9.44879 2.34407 GPRESSAVG: 2880400 24.8085 27.8875 -24.9735 28.5322 -0.0223528 -10.3842 -25.048 -9.45541 1.99493 TIMING: 2880400 CPU: 9173.13, 0.00321066/step Wall: 9173.13, 0.00321066/step, 1.89036 hours remaining, 233.363281 MB of memory in use. ENERGY: 2880400 3972.9274 20516.2150 14472.1676 252.2491 -203695.3733 2395.2638 0.0000 0.0000 52016.4742 -110070.0762 298.9394 -162086.5504 -109715.1757 298.3225 87.2400 119.9805 758277.8920 9.0871 8.9270 PRESSURE: 2880600 -136.628 -85.9872 34.2178 -85.9873 -256.249 -86.6132 34.2182 -86.6124 -258.779 GPRESSURE: 2880600 -103.813 -180.919 -23.3764 -40.1319 -231.735 -94.5073 -38.7022 4.87774 -239.483 PRESSAVG: 2880600 29.4579 8.26446 11.5748 8.26448 -24.598 -49.8646 11.5748 -49.8646 15.631 GPRESSAVG: 2880600 28.8155 8.50911 9.97839 7.1349 -24.6952 -49.1011 11.6492 -49.1581 16.3692 TIMING: 2880600 CPU: 9173.75, 0.00312022/step Wall: 9173.75, 0.00312022/step, 1.83694 hours remaining, 233.562500 MB of memory in use. ENERGY: 2880600 3969.5225 20567.4267 14410.5521 239.6196 -203383.1474 2349.7272 0.0000 0.0000 51889.2618 -109957.0375 298.2083 -161846.2993 -109602.9150 298.1027 -217.2189 -191.6772 761073.9088 6.8303 6.8298 PRESSURE: 2880800 114.187 59.9908 10.9496 59.9901 -97.204 -78.0489 10.9487 -78.0477 374.342 GPRESSURE: 2880800 118.063 37.8272 87.0476 54.7991 10.8995 74.9362 -2.30054 -32.4311 344.774 PRESSAVG: 2880800 -14.5526 -12.8918 -4.12502 -12.8918 -0.768847 -36.9595 -4.12497 -36.9595 8.8542 GPRESSAVG: 2880800 -14.1713 -12.1301 -3.99016 -14.3249 0.958787 -36.6495 -5.39397 -35.7994 6.77391 TIMING: 2880800 CPU: 9174.38, 0.00314932/step Wall: 9174.38, 0.00314932/step, 1.8539 hours remaining, 233.562500 MB of memory in use. ENERGY: 2880800 3936.6732 20582.1843 14464.6918 247.1632 -203366.1386 2408.6899 0.0000 0.0000 51923.5493 -109803.1869 298.4054 -161726.7362 -109448.2742 298.5653 130.4415 157.9122 761286.9974 -2.1557 -2.1462 PRESSURE: 2881000 318.056 8.23567 204.365 8.2349 102.415 24.6044 204.365 24.603 -42.7879 GPRESSURE: 2881000 273.327 -27.9602 248.018 52.0211 182.39 55.8203 165.663 13.6539 17.9853 PRESSAVG: 2881000 -2.36197 45.0338 -4.69228 45.0339 -21.804 -42.8991 -4.69232 -42.8991 -16.0649 GPRESSAVG: 2881000 -1.60447 42.3497 -2.10254 49.2079 -25.0825 -42.6665 -4.1396 -43.4429 -13.9905 TIMING: 2881000 CPU: 9175, 0.00311027/step Wall: 9175, 0.00311027/step, 1.83074 hours remaining, 233.562500 MB of memory in use. ENERGY: 2881000 3864.2580 20466.2103 14478.8691 245.0928 -203641.5171 2693.3355 0.0000 0.0000 52052.3740 -109841.3774 299.1457 -161893.7513 -109474.0204 298.7741 125.8944 157.9007 760944.0549 -13.4103 -13.5592 PRESSURE: 2881200 209.5 -59.372 65.8757 -59.3719 263.119 209.197 65.8757 209.197 137.867 GPRESSURE: 2881200 248.442 -123.423 91.2258 -24.8691 263.755 287.176 29.464 86.5641 182.915 PRESSAVG: 2881200 56.2083 -10.8257 0.179011 -10.8257 -34.697 -38.0691 0.178966 -38.0691 16.6052 GPRESSAVG: 2881200 54.6265 -10.208 -1.82042 -10.3611 -33.3328 -38.1492 0.452315 -41.819 16.79 TIMING: 2881200 CPU: 9175.63, 0.00313285/step Wall: 9175.63, 0.00313285/step, 1.84386 hours remaining, 233.562500 MB of memory in use. ENERGY: 2881200 3928.1230 20598.5371 14436.7361 241.0475 -203671.4138 2658.5655 0.0000 0.0000 51877.6539 -109930.7508 298.1416 -161808.4047 -109580.3753 298.6480 203.4956 231.7041 759439.6961 12.7055 12.6946 PRESSURE: 2881400 -114.427 -98.3551 126.439 -98.3544 143.689 -1.54609 126.44 -1.5473 232.232 GPRESSURE: 2881400 -69.4905 -178.942 155.475 -137.736 232.82 -7.49424 58.4509 11.7679 183.68 PRESSAVG: 2881400 27.5728 -48.8378 10.1471 -48.8379 -36.6297 0.453711 10.147 0.453756 15.1169 GPRESSAVG: 2881400 28.184 -47.173 11.0166 -51.8638 -36.0169 -1.47215 9.21734 3.26882 13.7568 TIMING: 2881400 CPU: 9176.25, 0.00311855/step Wall: 9176.25, 0.00311855/step, 1.83527 hours remaining, 233.562500 MB of memory in use. ENERGY: 2881400 4031.4150 20335.4555 14500.0166 252.2034 -203744.9022 2685.5582 0.0000 0.0000 51972.9520 -109967.3014 298.6893 -161940.2534 -109604.3665 298.3149 87.1646 115.6697 760366.8305 2.0200 1.9747 PRESSURE: 2881600 -66.3775 144.857 -70.3593 144.857 157.235 35.9506 -70.3595 35.9495 -36.347 GPRESSURE: 2881600 -18.967 121.594 -93.8741 89.9952 204.93 85.947 -69.8655 69.3297 -27.2424 PRESSAVG: 2881600 -38.3155 -38.1443 7.81992 -38.1442 60.5308 59.3215 7.81985 59.3216 1.63768 GPRESSAVG: 2881600 -37.6871 -38.5524 6.87852 -38.31 58.9281 60.3393 8.91658 57.2517 3.16616 TIMING: 2881600 CPU: 9176.88, 0.0031328/step Wall: 9176.88, 0.0031328/step, 1.84348 hours remaining, 233.562500 MB of memory in use. ENERGY: 2881600 3986.2779 20260.0083 14528.9325 237.9786 -203432.0185 2439.8686 0.0000 0.0000 51997.9447 -109981.0080 298.8329 -161978.9526 -109613.6775 298.4712 18.1702 52.9068 760289.3310 7.9510 8.1357 PRESSURE: 2881800 -165.291 210.88 -17.4505 210.88 -33.2442 220.252 -17.45 220.253 -124.693 GPRESSURE: 2881800 -111.514 206.534 -93.2513 101.51 -39.4871 183.687 -47.1701 265.779 -101.246 PRESSAVG: 2881800 -14.6445 -30.7894 -17.7669 -30.7895 36.6222 23.2575 -17.7669 23.2574 3.00355 GPRESSAVG: 2881800 -15.8934 -31.0324 -18.827 -30.0283 37.6152 21.726 -16.484 26.7874 3.04988 TIMING: 2881800 CPU: 9177.5, 0.00313063/step Wall: 9177.5, 0.00313063/step, 1.84203 hours remaining, 233.562500 MB of memory in use. ENERGY: 2881800 4075.6823 20435.0862 14455.0732 261.5806 -203611.4653 2473.6889 0.0000 0.0000 52133.4598 -109776.8942 299.6117 -161910.3540 -109404.2397 298.6097 -107.7426 -84.0823 760015.3310 8.3271 8.2572 PRESSURE: 2882000 -215.336 14.3671 -132.691 14.3662 -51.4672 -102.27 -132.692 -102.269 34.3044 GPRESSURE: 2882000 -225.621 -7.7937 -105.411 58.624 18.2613 -87.8106 -161.335 -153.881 69.0627 PRESSAVG: 2882000 33.0652 -42.3594 63.567 -42.3594 -12.9998 4.06984 63.5671 4.06985 33.9455 GPRESSAVG: 2882000 34.087 -41.7809 64.077 -39.9554 -13.2382 5.82473 62.4379 0.508624 33.1069 TIMING: 2882000 CPU: 9178.13, 0.00314344/step Wall: 9178.13, 0.00314344/step, 1.84939 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2882000 3887.0561 20508.4575 14433.5708 248.1026 -203356.8813 2350.4725 0.0000 0.0000 52078.4412 -109850.7805 299.2955 -161929.2217 -109489.5574 298.3242 -77.4995 -46.0991 759032.8089 18.0036 17.9852 PRESSURE: 2882200 -144.146 110.661 -213.807 110.66 -415.868 -92.9425 -213.808 -92.9429 -344.21 GPRESSURE: 2882200 -128.944 4.33923 -156.915 29.8842 -360.823 -95.9511 -24.3318 42.8465 -324.084 PRESSAVG: 2882200 16.247 -50.612 18.2618 -50.6119 -9.17878 -1.35447 18.2617 -1.35452 -24.194 GPRESSAVG: 2882200 15.7406 -51.0842 19.5226 -52.0079 -9.17281 -1.32485 17.6482 -0.569229 -24.3065 TIMING: 2882200 CPU: 9178.76, 0.00311668/step Wall: 9178.76, 0.00311668/step, 1.83347 hours remaining, 233.562500 MB of memory in use. ENERGY: 2882200 4031.5115 20322.8715 14406.6147 212.8724 -203039.2063 2363.7500 0.0000 0.0000 52083.5465 -109618.0397 299.3249 -161701.5862 -109244.1861 298.6395 -301.4083 -271.2836 762500.1072 -5.7086 -5.9129 PRESSURE: 2882400 -178.009 -44.4038 -52.3409 -44.4044 -334.475 97.4917 -52.3403 97.4923 -347.719 GPRESSURE: 2882400 6.04203 75.2272 -73.7109 20.1351 -336.475 81.0884 50.7865 -14.2646 -453.954 PRESSAVG: 2882400 -12.3975 -39.9784 -18.6406 -39.9784 19.3172 -16.8517 -18.6406 -16.8517 -3.03192 GPRESSAVG: 2882400 -11.6639 -39.2836 -18.7176 -40.791 19.7272 -16.4513 -18.9644 -15.2116 -3.49762 TIMING: 2882400 CPU: 9179.38, 0.00311395/step Wall: 9179.38, 0.00311395/step, 1.83169 hours remaining, 233.562500 MB of memory in use. ENERGY: 2882400 4046.2386 20422.4649 14386.2166 219.1588 -203604.3671 2591.9919 0.0000 0.0000 52284.9729 -109653.3235 300.4825 -161938.2964 -109291.9461 298.9366 -286.7344 -261.4623 762346.4516 1.2959 1.5219 PRESSURE: 2882600 -328.836 -65.7048 187.388 -65.7048 -430.009 0.382861 187.389 0.382547 27.3591 GPRESSURE: 2882600 -307.769 -47.9863 109.104 -125.902 -366.853 20.6727 157.392 -16.8403 39.7725 PRESSAVG: 2882600 52.5315 -2.9621 -32.6339 -2.96211 -86.6737 -20.2531 -32.6339 -20.2531 -5.34832 GPRESSAVG: 2882600 52.0724 -4.85652 -32.1702 -2.53755 -85.7543 -21.5094 -32.2993 -20.3655 -5.33097 TIMING: 2882600 CPU: 9180, 0.00311746/step Wall: 9180, 0.00311746/step, 1.83359 hours remaining, 233.562500 MB of memory in use. ENERGY: 2882600 3978.7966 20576.0588 14446.7884 234.8005 -203459.8609 2481.3477 0.0000 0.0000 51983.3834 -109758.6855 298.7492 -161742.0689 -109393.0231 299.0607 -243.8285 -211.6167 762819.7785 -13.1635 -13.0043 PRESSURE: 2882800 61.5888 -133.165 3.07243 -133.165 -317.511 -62.8096 3.07089 -62.8099 101.394 GPRESSURE: 2882800 54.5595 -130.49 -42.1977 -92.8113 -318.375 -61.6238 59.187 -19.5022 182.808 PRESSAVG: 2882800 -6.00492 -8.2785 -30.6208 -8.27851 -3.53571 49.209 -30.6208 49.209 2.99749 GPRESSAVG: 2882800 -5.47622 -8.55548 -31.3125 -6.01509 -5.33106 50.9849 -30.5531 50.108 4.07333 TIMING: 2882800 CPU: 9180.63, 0.00312097/step Wall: 9180.63, 0.00312097/step, 1.83548 hours remaining, 233.562500 MB of memory in use. ENERGY: 2882800 4046.9908 20532.2192 14414.1854 236.7886 -203259.6494 2463.6120 0.0000 0.0000 51686.5260 -109879.3274 297.0432 -161565.8534 -109523.6763 298.6848 -51.5092 -27.0026 760582.0632 -2.1810 -2.2446 PRESSURE: 2883000 212.413 -203.239 -41.4945 -203.239 65.01 -94.5844 -41.4938 -94.5841 195.467 GPRESSURE: 2883000 229.6 -140.63 -84.9723 -159.19 184.36 -126.534 28.4547 -311.813 171.145 PRESSAVG: 2883000 14.3809 -7.24333 -8.52524 -7.24331 -49.7523 19.3917 -8.52527 19.3918 11.3956 GPRESSAVG: 2883000 13.2606 -4.73854 -9.08059 -10.658 -48.4307 17.7969 -8.97846 16.4483 10.929 TIMING: 2883000 CPU: 9181.25, 0.00312987/step Wall: 9181.25, 0.00312987/step, 1.84054 hours remaining, 233.562500 MB of memory in use. ENERGY: 2883000 3993.5045 20550.1780 14444.3784 245.0352 -203389.3439 2652.0079 0.0000 0.0000 51704.2838 -109799.9561 297.1452 -161504.2400 -109433.2750 298.4888 157.6298 195.0350 761419.2949 -7.9919 -8.0804 PRESSURE: 2883200 115.83 46.6301 -183.837 46.6296 -243.11 -2.50547 -183.837 -2.50656 -12.9627 GPRESSURE: 2883200 113.67 151.672 -197.996 61.5037 -124.33 -4.10234 -24.3475 27.0759 -38.2449 PRESSAVG: 2883200 -9.4015 5.07643 -20.8269 5.07646 8.85195 19.4665 -20.8268 19.4665 -8.60899 GPRESSAVG: 2883200 -8.30146 5.26489 -20.8028 6.6452 9.03806 19.6245 -20.5344 20.9912 -10.1024 TIMING: 2883200 CPU: 9181.88, 0.0031352/step Wall: 9181.88, 0.0031352/step, 1.8435 hours remaining, 233.562500 MB of memory in use. ENERGY: 2883200 3973.9008 20332.4151 14501.7184 261.2593 -203642.0024 2489.2541 0.0000 0.0000 52152.9272 -109930.5274 299.7236 -162083.4546 -109562.0330 298.8019 -46.7477 -16.3018 760111.8084 -3.0528 -3.1219 PRESSURE: 2883400 -157.728 -126.584 108.945 -126.584 -31.4077 207.52 108.945 207.519 80.2172 GPRESSURE: 2883400 -123.649 -98.0286 80.5678 -119.768 -72.429 212.593 25.2424 83.6929 170.426 PRESSAVG: 2883400 84.5096 -7.59046 5.63557 -7.59039 -53.5282 84.5747 5.63555 84.5745 18.5721 GPRESSAVG: 2883400 85.111 -7.80229 6.56139 -9.02837 -54.8608 85.9387 6.02843 84.9446 19.4848 TIMING: 2883400 CPU: 9182.5, 0.00311858/step Wall: 9182.5, 0.00311858/step, 1.83355 hours remaining, 233.562500 MB of memory in use. ENERGY: 2883400 3934.6699 20241.6862 14502.7714 235.4180 -203417.4037 2454.0804 0.0000 0.0000 52021.2626 -110027.5152 298.9669 -162048.7778 -109658.0701 298.4890 -36.3061 -8.5508 759367.6185 16.5178 16.5783 PRESSURE: 2883600 446.15 -131.774 99.8807 -131.773 493.638 86.9178 99.8803 86.9183 27.5798 GPRESSURE: 2883600 474.804 -136.436 72.754 -159.648 524.573 144.859 153.676 60.2221 57.61 PRESSAVG: 2883600 6.93749 6.67716 -42.9165 6.67717 17.191 52.2516 -42.9165 52.2516 8.44917 GPRESSAVG: 2883600 5.62484 6.75069 -44.7694 7.29194 16.4627 50.55 -43.1493 50.67 10.1047 TIMING: 2883600 CPU: 9183.13, 0.00312019/step Wall: 9183.13, 0.00312019/step, 1.83433 hours remaining, 233.562500 MB of memory in use. ENERGY: 2883600 3942.0496 20409.8642 14420.5376 234.9758 -203715.3603 2708.0767 0.0000 0.0000 52024.4877 -109975.3687 298.9854 -161999.8564 -109599.5812 298.2725 322.4557 352.3289 759909.2088 10.8592 10.7308 PRESSURE: 2883800 71.8383 109.383 15.9562 109.383 70.804 -75.233 15.9564 -75.2335 135.409 GPRESSURE: 2883800 134.709 122.814 92.3803 -80.3161 119.324 -116.818 -75.0342 -6.88793 100.376 PRESSAVG: 2883800 9.35947 -12.7628 -21.8673 -12.7628 -3.16561 2.36431 -21.8673 2.36433 -1.1696 GPRESSAVG: 2883800 9.44125 -14.4914 -21.162 -10.2545 -3.0036 3.92391 -21.0056 1.15386 -2.13417 TIMING: 2883800 CPU: 9183.75, 0.00311402/step Wall: 9183.75, 0.00311402/step, 1.83053 hours remaining, 233.562500 MB of memory in use. ENERGY: 2883800 4016.0573 20267.9618 14445.5303 252.2650 -203500.9891 2448.7083 0.0000 0.0000 52078.3817 -109992.0847 299.2952 -162070.4664 -109614.9483 298.8221 92.6837 118.1361 758647.0225 1.6748 1.4345 PRESSURE: 2884000 -166.528 -159.764 -287.556 -159.764 -383.137 69.6604 -287.557 69.6608 -117.996 GPRESSURE: 2884000 -255.384 -152.838 -336.804 -113.032 -269.042 87.7791 -225.414 138.25 -61.2711 PRESSAVG: 2884000 26.3977 -25.0562 -20.0514 -25.0562 -33.9784 -1.87371 -20.0514 -1.87372 -2.32657 GPRESSAVG: 2884000 26.1618 -22.6096 -20.292 -26.1148 -33.4774 -2.13626 -20.6215 0.477407 -3.12811 TIMING: 2884000 CPU: 9184.37, 0.0031155/step Wall: 9184.37, 0.0031155/step, 1.83122 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2884000 4026.4853 20504.3746 14467.0765 267.6170 -203465.7537 2458.7525 0.0000 0.0000 51800.6697 -109940.7781 297.6992 -161741.4478 -109579.6456 298.8978 -222.5536 -195.2325 760399.5090 -3.3024 -3.4812 PRESSURE: 2884200 -32.85 125.758 103.858 125.758 -166.95 -176.538 103.858 -176.538 -324.769 GPRESSURE: 2884200 -64.1264 99.9208 50.7192 117.374 -47.7413 -192.454 136.617 -74.2595 -322.47 PRESSAVG: 2884200 62.9078 5.81262 -1.77159 5.81263 -33.266 -4.11351 -1.77163 -4.1136 4.15899 GPRESSAVG: 2884200 62.3659 4.03972 -3.96955 5.61731 -32.1456 -3.75232 -1.10349 -4.2458 3.63086 TIMING: 2884200 CPU: 9185, 0.0031341/step Wall: 9185, 0.0031341/step, 1.84198 hours remaining, 233.562500 MB of memory in use. ENERGY: 2884200 3998.8751 20378.8807 14460.9760 226.8412 -203843.2747 2559.3237 0.0000 0.0000 52087.9778 -110130.4002 299.3503 -162218.3780 -109772.0267 298.4056 -174.8563 -144.7792 759852.0531 11.2669 11.2837 LDB: ============= START OF LOAD BALANCING ============== 9197.42 LDB: ============== END OF LOAD BALANCING =============== 9197.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9197.42 LDB: ============= START OF LOAD BALANCING ============== 9197.74 LDB: Largest compute 7034 load 0.031218 is 16.0% of average load 0.195357 LDB: Average compute 0.004399 is 2.3% of average load 0.195357 LDB: TIME 9197.74 LOAD: AVG 0.195357 MAX 0.218014 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 9197.74 LOAD: AVG 0.195357 MAX 0.218014 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 9197.74 LOAD: AVG 0.195357 MAX 0.218014 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 9197.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9197.75 PRESSURE: 2884400 47.0154 103.911 101.831 103.911 179.529 82.295 101.83 82.2954 -432.31 GPRESSURE: 2884400 15.6887 69.6623 163.586 80.6624 121.67 206.28 113.333 -31.2645 -287.262 PRESSAVG: 2884400 53.176 -11.4328 52.4418 -11.4328 -29.2845 36.2178 52.4419 36.2178 22.2236 GPRESSAVG: 2884400 52.9691 -11.329 55.6471 -13.1223 -30.3773 36.1801 50.9519 35.5676 22.9813 TIMING: 2884400 CPU: 9185.65, 0.00322374/step Wall: 9185.65, 0.00322374/step, 1.89448 hours remaining, 233.562500 MB of memory in use. ENERGY: 2884400 3971.4502 20593.0200 14408.7068 248.5869 -203556.2594 2286.5623 0.0000 0.0000 51729.3877 -110318.5455 297.2895 -162047.9332 -109968.2653 297.9559 -68.5886 -49.9680 760546.3828 15.3717 15.1911 PRESSURE: 2884600 284.611 17.9633 70.1687 17.9637 157.575 -49.7979 70.1683 -49.7968 159.638 GPRESSURE: 2884600 411.605 -9.30566 -9.34464 -112.41 88.2585 -32.2667 -7.33752 -61.3923 191.692 PRESSAVG: 2884600 34.5068 -19.6826 -52.319 -19.6826 5.98185 60.3473 -52.3191 60.3473 3.01263 GPRESSAVG: 2884600 35.7353 -20.6763 -52.7226 -17.0647 5.02303 58.9841 -51.2009 59.8867 3.00587 TIMING: 2884600 CPU: 9186.27, 0.00313392/step Wall: 9186.27, 0.00313392/step, 1.84153 hours remaining, 233.765625 MB of memory in use. ENERGY: 2884600 3938.9261 20440.3796 14399.9294 250.5447 -203571.5310 2596.1847 0.0000 0.0000 51532.2102 -110413.3563 296.1563 -161945.5665 -110061.8497 297.3774 200.6077 230.5184 759104.2793 14.5004 14.5881 PRESSURE: 2884800 -220.861 98.4932 -0.0202065 98.4922 -256.479 235.637 -0.0192173 235.636 -148.014 GPRESSURE: 2884800 -191.767 35.5923 -35.3494 83.9213 -139.433 201.257 -126.276 208.645 -208.35 PRESSAVG: 2884800 24.3239 -59.9046 -44.1682 -59.9047 -45.8605 20.0631 -44.1681 20.0632 -0.140545 GPRESSAVG: 2884800 23.7594 -58.4905 -44.7122 -60.5075 -44.9094 20.102 -44.3086 20.8031 -0.27589 TIMING: 2884800 CPU: 9186.9, 0.00313466/step Wall: 9186.9, 0.00313466/step, 1.84179 hours remaining, 233.765625 MB of memory in use. ENERGY: 2884800 3915.7987 20328.1968 14369.3656 229.4636 -203508.5953 2429.7010 0.0000 0.0000 52018.9555 -110217.1140 298.9537 -162236.0696 -109858.6139 297.3568 -208.4515 -179.8503 762597.9046 -7.2257 -7.1420 PRESSURE: 2885000 -227.389 23.8649 -246.76 23.8657 40.1298 -49.1578 -246.76 -49.1579 18.0711 GPRESSURE: 2885000 -224.923 -67.7908 -173.214 141.73 140.04 -68.7714 -148.034 -34.6954 -7.88995 PRESSAVG: 2885000 24.8735 -13.7283 -56.8518 -13.7283 29.8225 24.145 -56.8518 24.145 -8.27113 GPRESSAVG: 2885000 24.7716 -13.0999 -55.5735 -13.1047 30.4679 25.323 -55.933 22.198 -8.58449 TIMING: 2885000 CPU: 9187.53, 0.0031443/step Wall: 9187.53, 0.0031443/step, 1.84728 hours remaining, 233.765625 MB of memory in use. ENERGY: 2885000 3993.1101 20427.1643 14344.7967 243.4709 -203326.2327 2548.7005 0.0000 0.0000 51739.2569 -110029.7332 297.3462 -161768.9901 -109683.2931 297.6619 -56.3960 -30.9241 761391.0450 15.4749 15.5516 PRESSURE: 2885200 43.2492 -9.27893 76.8384 -9.27878 -95.5271 -111.157 76.8378 -111.156 -278.165 GPRESSURE: 2885200 57.2588 -50.5899 118.271 -22.1663 -19.7607 -164.287 -117.067 -150.838 -290.724 PRESSAVG: 2885200 14.4703 -56.3047 -49.723 -56.3048 18.4172 17.446 -49.723 17.446 12.0355 GPRESSAVG: 2885200 14.3529 -55.7578 -49.928 -57.3342 17.4008 16.9208 -51.2475 19.7996 12.1644 TIMING: 2885200 CPU: 9188.15, 0.00311854/step Wall: 9188.15, 0.00311854/step, 1.83197 hours remaining, 233.765625 MB of memory in use. ENERGY: 2885200 3907.2009 20341.2001 14434.7690 236.2239 -203807.8590 2782.4801 0.0000 0.0000 52195.2559 -109910.7291 299.9669 -162105.9850 -109544.8887 298.4901 -110.1477 -84.4086 760557.4735 14.9744 14.6394 PRESSURE: 2885400 64.8667 29.3853 -268.912 29.3855 -2.48344 21.5953 -268.912 21.5948 38.2777 GPRESSURE: 2885400 129.186 111.147 -263.127 -87.6119 21.9743 28.5978 -186.118 13.9907 46.9962 PRESSAVG: 2885400 20.7074 -66.4978 -40.9906 -66.4978 -20.4609 -14.1961 -40.9907 -14.196 5.45589 GPRESSAVG: 2885400 20.642 -66.832 -42.64 -67.9121 -20.5424 -14.1478 -39.6228 -12.5438 5.3173 TIMING: 2885400 CPU: 9188.78, 0.00313778/step Wall: 9188.78, 0.00313778/step, 1.8431 hours remaining, 233.765625 MB of memory in use. ENERGY: 2885400 3962.0704 20424.4751 14493.1572 265.2136 -203235.7398 2392.6230 0.0000 0.0000 51945.1788 -109753.0217 298.5297 -161698.2005 -109400.0274 298.5886 33.5537 66.0522 760169.4820 1.9008 1.8056 PRESSURE: 2885600 -131.994 -193.874 64.4987 -193.874 -131.016 -101.862 64.4983 -101.861 26.8633 GPRESSURE: 2885600 -97.7069 -239.653 37.6348 -201.237 -22.5367 -75.3896 101.446 -35.0754 -11.2561 PRESSAVG: 2885600 -9.48502 -90.5662 -35.5186 -90.5662 45.8649 5.87954 -35.5185 5.87952 17.907 GPRESSAVG: 2885600 -8.98098 -91.3711 -31.9636 -87.8332 46.5032 6.93909 -36.8211 5.80108 17.537 TIMING: 2885600 CPU: 9189.4, 0.00311794/step Wall: 9189.4, 0.00311794/step, 1.83127 hours remaining, 233.765625 MB of memory in use. ENERGY: 2885600 3963.0857 20428.9538 14377.6361 266.5725 -203124.3083 2397.2089 0.0000 0.0000 51918.8477 -109772.0035 298.3783 -161690.8512 -109408.6818 298.8912 -78.7155 -43.8333 762063.4135 18.0956 18.3531 PRESSURE: 2885800 238.943 -153.211 -3.65657 -153.21 -104.006 117.895 -3.6568 117.896 232.996 GPRESSURE: 2885800 186.732 -122.284 -29.4701 -154.763 -17.0548 21.2625 -1.32315 118.03 295.974 PRESSAVG: 2885800 74.1092 -98.2402 -25.8994 -98.2402 -98.3613 -7.17425 -25.8995 -7.17429 -8.15062 GPRESSAVG: 2885800 72.4484 -99.2609 -29.1718 -98.1574 -97.9752 -7.92221 -26.4449 -7.85118 -6.97579 TIMING: 2885800 CPU: 9190.03, 0.00314876/step Wall: 9190.03, 0.00314876/step, 1.8492 hours remaining, 233.765625 MB of memory in use. ENERGY: 2885800 3941.5571 20450.8596 14483.0024 239.2466 -203619.7505 2849.6672 0.0000 0.0000 52054.9813 -109600.4362 299.1607 -161655.4175 -109241.9278 299.0781 122.6443 155.2170 762479.3850 -10.8009 -10.8342 PRESSURE: 2886000 339.228 145.725 107.896 145.724 318.88 37.8512 107.896 37.8513 48.1842 GPRESSURE: 2886000 375.119 68.5894 95.9546 120.142 334.479 108.201 116.953 105.476 64.5601 PRESSAVG: 2886000 -32.832 -47.6789 65.7412 -47.6789 3.56407 16.1106 65.7412 16.1105 2.67005 GPRESSAVG: 2886000 -30.8838 -50.2126 67.1165 -46.7655 1.98537 15.8034 65.491 16.2683 2.35242 TIMING: 2886000 CPU: 9190.66, 0.00315873/step Wall: 9190.66, 0.00315873/step, 1.85488 hours remaining, 233.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2886000 4038.3877 20452.8745 14432.1068 239.7194 -203516.8654 2683.0431 0.0000 0.0000 52149.2143 -109521.5195 299.7023 -161670.7338 -109163.8473 298.9454 235.4305 258.0527 763000.7511 -8.8659 -8.8487 PRESSURE: 2886200 28.0355 -245.473 -17.1631 -245.473 -54.1961 86.0466 -17.1625 86.0454 -157.108 GPRESSURE: 2886200 42.5025 -211.461 20.9796 -336.607 -89.1554 58.8119 25.3677 34.9723 -45.9766 PRESSAVG: 2886200 -13.5315 -82.3139 1.52179 -82.3138 -1.27206 11.2299 1.5218 11.2299 -10.4605 GPRESSAVG: 2886200 -14.5815 -79.4317 1.906 -83.9756 -0.136104 11.444 2.39211 9.37219 -10.5559 TIMING: 2886200 CPU: 9191.29, 0.00313468/step Wall: 9191.29, 0.00313468/step, 1.84058 hours remaining, 233.765625 MB of memory in use. ENERGY: 2886200 4031.3160 20431.2353 14437.3880 245.5026 -203178.0546 2354.5437 0.0000 0.0000 52437.7726 -109240.2964 301.3606 -161678.0690 -108879.3142 299.6035 -61.0895 -30.8765 760642.5589 -8.4214 -8.4245 PRESSURE: 2886400 191.843 -25.6362 -155.086 -25.6365 16.2118 -55.5464 -155.085 -55.5462 -253.309 GPRESSURE: 2886400 172.036 71.9102 -240.036 44.1294 104.303 -17.8897 -109.617 68.6074 -215.203 PRESSAVG: 2886400 57.1452 -60.4067 -7.46447 -60.4067 -78.2966 46.0719 -7.46448 46.0719 3.65228 GPRESSAVG: 2886400 58.7592 -59.4551 -10.2548 -60.9621 -79.0175 44.2602 -6.38985 46.9851 3.07373 TIMING: 2886400 CPU: 9191.92, 0.00313584/step Wall: 9191.92, 0.00313584/step, 1.84108 hours remaining, 233.765625 MB of memory in use. ENERGY: 2886400 3924.2694 20453.3972 14413.2747 230.9066 -202715.4235 2154.6888 0.0000 0.0000 52089.4766 -109449.4103 299.3589 -161538.8869 -109084.9411 299.5295 -15.0848 20.3786 762118.2659 -5.8330 -5.7282 PRESSURE: 2886600 -173.611 -93.9813 -67.135 -93.9807 -282.643 0.97957 -67.135 0.979267 -150.546 GPRESSURE: 2886600 -105.992 -40.7155 -48.5973 -160.89 -230.889 -58.7036 -3.26703 -36.2511 -181.738 PRESSAVG: 2886600 61.8802 -40.1046 -57.83 -40.1046 -42.9309 -13.3131 -57.83 -13.3132 -30.8908 GPRESSAVG: 2886600 60.5732 -41.8917 -56.0578 -40.0333 -42.4702 -11.6703 -56.7272 -13.0987 -30.222 TIMING: 2886600 CPU: 9192.55, 0.00314067/step Wall: 9192.55, 0.00314067/step, 1.84375 hours remaining, 233.765625 MB of memory in use. ENERGY: 2886600 3938.7563 20584.1339 14374.5650 236.9488 -203227.2482 2439.1120 0.0000 0.0000 52047.7644 -109605.9678 299.1192 -161653.7322 -109239.7928 298.9807 -202.2665 -172.8727 763416.3938 -3.9805 -4.0397 PRESSURE: 2886800 56.7017 103.447 -72.8463 103.447 -129.636 88.4988 -72.8464 88.4988 325.055 GPRESSURE: 2886800 4.50888 115.851 -22.0724 -3.95778 -34.9649 174.274 -72.649 -7.06142 341.055 PRESSAVG: 2886800 26.3761 -60.6539 -2.92991 -60.6538 -50.3883 19.0074 -2.92997 19.0073 3.47671 GPRESSAVG: 2886800 26.5863 -58.2087 -4.42572 -61.4213 -50.3161 17.7801 -2.91969 19.4581 2.9796 TIMING: 2886800 CPU: 9193.17, 0.00311497/step Wall: 9193.17, 0.00311497/step, 1.82849 hours remaining, 233.765625 MB of memory in use. ENERGY: 2886800 3934.4707 20439.4107 14390.0521 260.0407 -202614.7756 2166.5990 0.0000 0.0000 51965.6468 -109458.5557 298.6473 -161424.2024 -109095.6920 299.0313 84.0402 103.5329 762191.9715 -6.8452 -6.9167 PRESSURE: 2887000 -204.702 -193.929 -177.333 -193.928 -15.9324 2.90126 -177.332 2.90063 134.86 GPRESSURE: 2887000 -134.489 -351.502 -233.235 -176.746 9.71045 24.9475 -112.306 -26.4456 131.081 PRESSAVG: 2887000 10.8694 -76.436 3.93807 -76.436 16.2583 -7.13581 3.93805 -7.13579 38.2013 GPRESSAVG: 2887000 12.2342 -77.6048 6.43474 -74.8016 15.3 -5.44366 1.95446 -7.54755 37.5936 TIMING: 2887000 CPU: 9193.79, 0.00311925/step Wall: 9193.79, 0.00311925/step, 1.83083 hours remaining, 233.765625 MB of memory in use. ENERGY: 2887000 3977.4446 20350.4286 14418.2777 234.1039 -203029.7408 2590.9291 0.0000 0.0000 52124.3738 -109334.1830 299.5595 -161458.5569 -108972.5597 299.1595 -28.5915 2.1011 761405.5631 21.7763 21.7093 PRESSURE: 2887200 176.952 41.2302 72.1303 41.2294 -348.794 37.0526 72.1304 37.0524 184.671 GPRESSURE: 2887200 154.823 89.8777 38.1281 191.733 -173.169 134.495 102.352 -27.3931 111.519 PRESSAVG: 2887200 -6.57484 -9.03209 25.0032 -9.03213 -15.5418 19.2298 25.0032 19.2298 -13.8915 GPRESSAVG: 2887200 -7.62801 -12.1192 25.1634 -7.62832 -14.6659 18.9553 25.3073 18.8973 -13.5856 TIMING: 2887200 CPU: 9194.42, 0.00313786/step Wall: 9194.42, 0.00313786/step, 1.84158 hours remaining, 233.765625 MB of memory in use. ENERGY: 2887200 4021.1377 20584.1835 14345.9899 230.1018 -203126.3605 2455.9325 0.0000 0.0000 52134.0589 -109354.9562 299.6152 -161489.0151 -108997.3773 299.7633 4.2760 31.0577 761667.1549 -12.0027 -11.9599 PRESSURE: 2887400 0.38006 58.8805 -141.802 58.8803 181.596 -60.7305 -141.802 -60.7301 111.653 GPRESSURE: 2887400 -61.0451 -25.8124 -74.7817 73.0159 269.845 -25.5249 -23.0465 -64.6823 152.202 PRESSAVG: 2887400 -26.8004 9.31025 -37.2995 9.31019 -6.44134 0.504393 -37.2995 0.504372 11.5911 GPRESSAVG: 2887400 -26.397 10.479 -35.6021 7.41233 -6.27125 0.446294 -38.3884 0.717121 10.9587 TIMING: 2887400 CPU: 9195.05, 0.00315135/step Wall: 9195.05, 0.00315135/step, 1.84932 hours remaining, 233.765625 MB of memory in use. ENERGY: 2887400 3941.4783 20585.3138 14386.3490 255.0057 -202711.0798 2373.4429 0.0000 0.0000 52060.6268 -109108.8633 299.1931 -161169.4901 -108735.8704 299.5385 97.8764 120.3339 762615.5205 -7.2169 -7.2365 PRESSURE: 2887600 95.726 107.966 -77.7839 107.966 235.03 -54.5291 -77.7827 -54.5288 227.559 GPRESSURE: 2887600 103.089 79.5679 -34.4246 14.6738 195.985 -39.0469 -57.4587 -238.652 335.207 PRESSAVG: 2887600 17.2593 -51.0824 -26.5731 -51.0823 -17.1117 -2.17969 -26.5731 -2.17978 -17.6639 GPRESSAVG: 2887600 16.6931 -52.7075 -28.0382 -50.3405 -18.0201 -1.2848 -25.6417 -4.28689 -16.4899 TIMING: 2887600 CPU: 9195.68, 0.00313953/step Wall: 9195.68, 0.00313953/step, 1.84221 hours remaining, 233.765625 MB of memory in use. ENERGY: 2887600 3888.7753 20669.8561 14353.5837 264.1130 -203266.7895 2770.0169 0.0000 0.0000 52322.7747 -108997.6698 300.6997 -161320.4445 -108635.7541 299.9749 186.1047 211.4269 761688.2300 -5.8388 -5.9389 PRESSURE: 2887800 369.859 -124.756 138.007 -124.757 181.523 165.139 138.007 165.14 179.999 GPRESSURE: 2887800 467.553 -67.8531 145.276 -62.6312 222.352 247.32 66.4488 90.6798 154.2 PRESSAVG: 2887800 -29.6477 -20.7886 29.9818 -20.7887 18.749 -13.8669 29.9818 -13.8669 16.125 GPRESSAVG: 2887800 -29.6389 -20.5846 29.0433 -21.3691 19.5359 -16.0471 30.3972 -12.1365 15.8279 TIMING: 2887800 CPU: 9196.3, 0.00312803/step Wall: 9196.3, 0.00312803/step, 1.83529 hours remaining, 233.765625 MB of memory in use. ENERGY: 2887800 3990.2257 20507.7205 14429.3678 225.6188 -202844.8671 2375.6464 0.0000 0.0000 52345.4197 -108970.8683 300.8298 -161316.2880 -108605.0932 300.4936 243.7936 281.3686 762247.7263 1.7421 1.9083 PRESSURE: 2888000 -204.608 -218.24 -85.0775 -218.24 -181.03 -391.82 -85.0777 -391.82 -81.3428 GPRESSURE: 2888000 -169.441 -217.707 -174.96 -123.596 -156.992 -391.886 -99.6688 -275.824 -54.2777 PRESSAVG: 2888000 -20.4836 -57.0308 38.6246 -57.0307 1.30968 -33.7446 38.6246 -33.7446 -21.298 GPRESSAVG: 2888000 -21.1357 -55.7425 39.6896 -57.3997 0.812988 -31.4116 37.9587 -34.9085 -20.5146 TIMING: 2888000 CPU: 9196.93, 0.00313395/step Wall: 9196.93, 0.00313395/step, 1.83859 hours remaining, 233.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2888000 4020.1019 20593.6363 14354.7307 238.0638 -203028.5274 2519.5312 0.0000 0.0000 52376.1928 -108926.2708 301.0067 -161302.4635 -108566.0160 300.7682 -155.6602 -126.9035 762641.3642 -13.4906 -13.6124 PRESSURE: 2888200 -261.27 58.3595 -14.1601 58.3579 -56.4265 -5.7013 -14.1597 -5.70039 -121.875 GPRESSURE: 2888200 -213.17 0.460133 -23.9362 -100.675 -112.154 6.17507 27.8325 36.6879 -19.0469 PRESSAVG: 2888200 -17.4558 -69.4462 -26.6474 -69.4462 30.0707 -80.9205 -26.6473 -80.9205 -3.41281 GPRESSAVG: 2888200 -16.161 -68.2975 -26.9829 -71.5456 30.1826 -82.2134 -28.1301 -79.4458 -4.53197 TIMING: 2888200 CPU: 9197.56, 0.00315557/step Wall: 9197.56, 0.00315557/step, 1.85109 hours remaining, 233.765625 MB of memory in use. ENERGY: 2888200 4029.0438 20594.2786 14371.0125 273.3127 -202336.7253 2142.2425 0.0000 0.0000 52229.9747 -108696.8607 300.1664 -160926.8354 -108330.0834 300.4282 -146.5238 -114.7900 762833.5861 3.0674 3.1632 LDB: ============= START OF LOAD BALANCING ============== 9209.98 LDB: ============== END OF LOAD BALANCING =============== 9209.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9209.99 LDB: ============= START OF LOAD BALANCING ============== 9210.3 LDB: Largest compute 7034 load 0.033305 is 17.0% of average load 0.195465 LDB: Average compute 0.004382 is 2.2% of average load 0.195465 LDB: TIME 9210.31 LOAD: AVG 0.195465 MAX 0.217291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 9210.31 LOAD: AVG 0.195465 MAX 0.217291 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: TIME 9210.31 LOAD: AVG 0.195465 MAX 0.217291 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: ============== END OF LOAD BALANCING =============== 9210.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9210.31 PRESSURE: 2888400 -296.38 295.216 286.073 295.215 -110.511 -280.267 286.073 -280.266 -195.286 GPRESSURE: 2888400 -184.021 257.973 272.248 261.019 2.43865 -229.604 418.601 -246.035 -335.282 PRESSAVG: 2888400 -15.6117 -58.5527 34.5298 -58.5526 -2.92663 -52.6877 34.5299 -52.6876 17.2994 GPRESSAVG: 2888400 -15.2442 -60.5349 34.989 -58.1564 -3.88764 -51.4854 37.8718 -52.424 17.2679 TIMING: 2888400 CPU: 9198.21, 0.00323393/step Wall: 9198.21, 0.00323393/step, 1.89688 hours remaining, 234.777344 MB of memory in use. ENERGY: 2888400 4006.6425 20619.8324 14451.7124 243.3660 -202062.6150 1999.9293 0.0000 0.0000 52081.0377 -108660.0947 299.3104 -160741.1324 -108296.1765 300.8972 -200.7257 -172.2879 763117.8049 -0.4130 -0.6213 PRESSURE: 2888600 22.0428 -66.0946 -0.462956 -66.0939 77.6123 67.47 -0.463393 67.4693 101.232 GPRESSURE: 2888600 16.6628 -128.766 26.1134 -137.921 149.678 120.853 -111.323 -74.0802 105.924 PRESSAVG: 2888600 59.1485 -2.76111 29.2639 -2.76116 -85.6391 -1.85241 29.2638 -1.85243 5.28007 GPRESSAVG: 2888600 58.942 -3.83107 27.9757 -2.0032 -84.9529 -3.48577 25.7372 -2.12047 4.77352 TIMING: 2888600 CPU: 9198.84, 0.00317797/step Wall: 9198.84, 0.00317797/step, 1.86388 hours remaining, 234.976562 MB of memory in use. ENERGY: 2888600 4040.5020 20629.9155 14470.4772 246.3510 -203219.5558 2755.2789 0.0000 0.0000 52311.0357 -108765.9956 300.6322 -161077.0313 -108406.7317 300.7310 66.9623 90.7549 760935.4149 -7.0702 -7.0791 PRESSURE: 2888800 -355.636 77.02 -253.015 77.0215 -306.833 -170.179 -253.014 -170.179 -250.216 GPRESSURE: 2888800 -354.423 98.3643 -163.715 -0.0753296 -217.181 -145.808 -189.03 -277.157 -262.173 PRESSAVG: 2888800 92.6721 -36.5337 -28.2261 -36.5337 -57.5237 34.7976 -28.2262 34.7975 10.2285 GPRESSAVG: 2888800 92.4335 -34.5495 -28.573 -37.4824 -58.1214 36.0488 -25.5201 34.9583 10.5949 TIMING: 2888800 CPU: 9199.48, 0.00315273/step Wall: 9199.48, 0.00315273/step, 1.8489 hours remaining, 234.976562 MB of memory in use. ENERGY: 2888800 4022.3822 20717.9972 14401.9854 250.4337 -203167.9117 2434.9641 0.0000 0.0000 52354.0184 -108986.1307 300.8793 -161340.1491 -108619.0636 300.9189 -304.2282 -277.9256 760724.6341 15.1257 14.9690 PRESSURE: 2889000 209.779 -148.615 -82.2933 -148.616 -193.944 -155.276 -82.292 -155.276 12.4975 GPRESSURE: 2889000 138.673 -178.113 -36.1033 -237.957 -104.142 -83.8972 -110.28 -123.21 61.653 PRESSAVG: 2889000 60.185 -70.6842 -10.0577 -70.6843 -50.7022 47.1454 -10.0577 47.1453 15.2315 GPRESSAVG: 2889000 58.0262 -71.2815 -8.54985 -69.5571 -49.5119 46.2024 -13.4547 46.9475 15.5342 TIMING: 2889000 CPU: 9200.1, 0.0031337/step Wall: 9200.1, 0.0031337/step, 1.83757 hours remaining, 234.976562 MB of memory in use. ENERGY: 2889000 3995.1057 20568.7332 14506.5286 249.9187 -202998.6985 2393.2360 0.0000 0.0000 52279.5018 -109005.6744 300.4510 -161285.1762 -108633.3837 300.5216 9.4442 32.0614 758845.6756 8.2381 8.0162 PRESSURE: 2889200 -49.481 72.0549 -168.038 72.0547 -82.3885 -54.6199 -168.038 -54.6202 -164.371 GPRESSURE: 2889200 0.896763 117.56 -141.184 102.956 -93.7605 -39.2899 40.4787 -206.179 -119.767 PRESSAVG: 2889200 33.3755 -52.2322 -25.6465 -52.2322 -36.3588 12.3729 -25.6465 12.3729 1.14051 GPRESSAVG: 2889200 35.2884 -51.5714 -25.3209 -53.7108 -38.1264 12.5466 -24.1386 11.6577 1.08134 TIMING: 2889200 CPU: 9200.73, 0.00313007/step Wall: 9200.73, 0.00313007/step, 1.83527 hours remaining, 234.976562 MB of memory in use. ENERGY: 2889200 3923.1767 20528.8047 14482.8352 227.1326 -202253.2005 1907.4256 0.0000 0.0000 52131.8847 -109051.9410 299.6027 -161183.8257 -108690.4661 300.1952 -98.7469 -70.8768 760255.4899 -0.6143 -0.5855 PRESSURE: 2889400 -216.611 -69.6098 74.1538 -69.6099 -43.9635 4.39389 74.1533 4.39348 -217.204 GPRESSURE: 2889400 -103.468 9.99008 -66.5587 -31.8969 -74.3424 5.98252 236.944 -35.035 -202.697 PRESSAVG: 2889400 -19.0962 -13.136 35.2836 -13.136 25.6722 -25.4226 35.2837 -25.4226 -17.4506 GPRESSAVG: 2889400 -20.7541 -13.95 32.8767 -13.109 26.6585 -24.4436 36.1682 -24.9068 -16.9353 TIMING: 2889400 CPU: 9201.35, 0.0031262/step Wall: 9201.35, 0.0031262/step, 1.83282 hours remaining, 234.976562 MB of memory in use. ENERGY: 2889400 4028.0664 20616.8176 14447.4741 245.9428 -203260.6250 2432.7359 0.0000 0.0000 52376.0297 -109113.5584 301.0058 -161489.5881 -108747.8435 300.2600 -159.2596 -126.8358 760287.0472 -3.6249 -3.6770 PRESSURE: 2889600 238.235 -5.51721 53.3701 -5.51711 27.416 -18.113 53.3701 -18.1127 132.703 GPRESSURE: 2889600 293.817 -51.3195 47.6664 -72.3478 13.062 26.6988 64.0154 -87.0139 182.035 PRESSAVG: 2889600 6.5573 -28.1797 2.93244 -28.1797 -57.1125 -22.6443 2.93247 -22.6443 8.85649 GPRESSAVG: 2889600 8.17835 -27.9388 4.76448 -29.8866 -56.3795 -24.5086 5.56981 -21.9045 7.36731 TIMING: 2889600 CPU: 9201.98, 0.00313532/step Wall: 9201.98, 0.00313532/step, 1.83799 hours remaining, 234.976562 MB of memory in use. ENERGY: 2889600 3921.6398 20605.8348 14484.8136 260.8657 -203098.7937 2444.9342 0.0000 0.0000 52309.2531 -109071.4524 300.6220 -161380.7056 -108718.5303 299.9946 132.7848 162.9712 760948.0775 -13.8996 -13.6113 PRESSURE: 2889800 -86.4833 182.792 180.11 182.792 -314.427 -232.312 180.109 -232.312 -116.323 GPRESSURE: 2889800 -6.09423 125.186 71.4225 103.547 -310.983 -229.55 186.313 -210.985 -105.102 PRESSAVG: 2889800 24.2177 -6.01245 -28.7515 -6.01238 -33.8665 -0.839168 -28.7515 -0.839166 -13.2483 GPRESSAVG: 2889800 24.1888 -6.90576 -29.5373 -3.34684 -34.5434 0.442291 -31.0608 -3.6946 -12.9987 TIMING: 2889800 CPU: 9202.61, 0.00314083/step Wall: 9202.61, 0.00314083/step, 1.84105 hours remaining, 234.976562 MB of memory in use. ENERGY: 2889800 4079.6117 20618.5228 14487.7899 241.9914 -203217.9632 2659.6842 0.0000 0.0000 52017.2551 -109113.1082 298.9439 -161130.3632 -108752.8757 299.8490 -172.4110 -140.7264 760795.2028 -7.6324 -7.7844 PRESSURE: 2890000 -187.929 24.1244 53.1981 24.1244 45.9763 169.307 53.1975 169.307 -200.708 GPRESSURE: 2890000 -109.376 -43.3283 26.1736 11.9619 81.7114 220.184 146.91 247.328 -234.02 PRESSAVG: 2890000 26.9272 -54.3527 -75.2701 -54.3527 -14.2507 51.889 -75.2701 51.889 -8.05842 GPRESSAVG: 2890000 27.3254 -55.0598 -74.312 -54.4469 -13.768 52.5424 -76.0704 53.5615 -9.17328 TIMING: 2890000 CPU: 9203.24, 0.00314938/step Wall: 9203.24, 0.00314938/step, 1.84589 hours remaining, 234.976562 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: 2890000 4049.9064 20588.1713 14589.2516 247.4603 -203282.6058 2641.5834 0.0000 0.0000 52162.3296 -109003.9033 299.7776 -161166.2328 -108639.5641 300.1942 -114.2200 -87.2280 758384.9362 1.5394 1.4614 PRESSURE: 2890200 263.467 -170.148 -75.422 -170.148 -251.884 75.1437 -75.4219 75.1444 -25.6138 GPRESSURE: 2890200 124.17 -84.8329 -17.7438 -194.397 -79.143 -24.571 -138.472 103.951 8.96622 PRESSAVG: 2890200 30.7284 -29.254 -11.6599 -29.2541 31.496 23.1479 -11.66 23.1478 15.2481 GPRESSAVG: 2890200 29.2707 -26.9226 -10.7491 -30.401 31.0001 22.3087 -12.9105 23.0946 17.2043 TIMING: 2890200 CPU: 9203.86, 0.00312668/step Wall: 9203.86, 0.00312668/step, 1.83241 hours remaining, 234.976562 MB of memory in use. ENERGY: 2890200 3985.1755 20533.0343 14560.9443 263.4566 -202875.6142 2201.1076 0.0000 0.0000 52126.3160 -109205.5800 299.5707 -161331.8959 -108843.0320 299.6341 -4.6769 17.9977 759182.5561 25.8242 25.8250 PRESSURE: 2890400 -217.328 7.51792 -77.0922 7.5179 68.9867 94.5388 -77.0916 94.5398 189.188 GPRESSURE: 2890400 -125.789 55.4276 -71.8448 -30.1028 79.3662 160.394 -69.7772 15.5285 162.695 PRESSAVG: 2890400 -22.124 -40.3247 -59.7071 -40.3247 27.1455 20.3001 -59.7071 20.3001 -7.67917 GPRESSAVG: 2890400 -21.9652 -40.9035 -60.5076 -39.5486 27.0339 19.2839 -59.1748 23.7648 -7.69616 TIMING: 2890400 CPU: 9204.49, 0.00312151/step Wall: 9204.49, 0.00312151/step, 1.82921 hours remaining, 234.976562 MB of memory in use. ENERGY: 2890400 4010.4505 20504.3104 14436.9474 235.8468 -203197.5021 2389.0539 0.0000 0.0000 52441.0141 -109179.8790 301.3792 -161620.8930 -108814.9547 300.1327 13.6156 38.7574 759989.3541 -0.8859 -0.8758 PRESSURE: 2890600 25.4681 -186.716 -32.4541 -186.715 -82.7701 -24.2675 -32.4547 -24.2671 -384.797 GPRESSURE: 2890600 27.991 -76.555 -148.446 -119.414 -10.0644 -17.9259 -149.501 -24.6836 -366.773 PRESSAVG: 2890600 -22.2926 -43.9835 -29.9337 -43.9835 41.4965 19.8382 -29.9336 19.8382 5.84001 GPRESSAVG: 2890600 -22.0255 -43.4769 -31.7573 -43.9137 41.7085 19.5896 -28.5038 16.3387 5.61883 TIMING: 2890600 CPU: 9205.11, 0.00311739/step Wall: 9205.11, 0.00311739/step, 1.82662 hours remaining, 234.976562 MB of memory in use. ENERGY: 2890600 4030.3714 20506.8261 14400.8242 245.7047 -203065.6265 2462.0740 0.0000 0.0000 52027.1967 -109392.6294 299.0010 -161419.8261 -109025.5171 299.9059 -147.3664 -116.2822 760114.9841 8.3480 8.4340 PRESSURE: 2890800 -65.8232 107.562 -248.925 107.561 -386.233 155.23 -248.926 155.23 244.083 GPRESSURE: 2890800 -30.3994 137.807 -133.648 93.25 -277.244 101.945 -290.109 97.3034 196.985 PRESSAVG: 2890800 3.84968 -64.5464 -16.3828 -64.5464 7.78368 26.8479 -16.3827 26.8479 14.1064 GPRESSAVG: 2890800 4.12596 -64.5596 -15.8871 -63.3123 7.9681 25.6318 -17.0803 28.5805 13.4349 TIMING: 2890800 CPU: 9205.74, 0.00314813/step Wall: 9205.74, 0.00314813/step, 1.84445 hours remaining, 234.976562 MB of memory in use. ENERGY: 2890800 3952.2324 20645.2889 14452.1655 257.0575 -202941.6320 2404.3264 0.0000 0.0000 52188.5011 -109042.0602 299.9280 -161230.5613 -108680.2692 299.7283 -69.3244 -36.8864 761740.9222 8.5799 8.5097 PRESSURE: 2891000 -207.973 97.5717 31.3451 97.5705 -289.373 -82.9139 31.3452 -82.9138 92.2053 GPRESSURE: 2891000 -228.005 -69.3578 40.1422 -0.0432274 -200.582 -151.335 -11.1313 -59.9212 94.3538 PRESSAVG: 2891000 -29.1121 -36.2098 -32.9944 -36.2098 14.243 -1.22368 -32.9944 -1.22359 -21.8977 GPRESSAVG: 2891000 -30.3009 -37.6264 -32.9588 -35.7578 15.226 2.05815 -32.0762 -4.09578 -21.274 TIMING: 2891000 CPU: 9206.37, 0.00314783/step Wall: 9206.37, 0.00314783/step, 1.84411 hours remaining, 234.976562 MB of memory in use. ENERGY: 2891000 3962.1298 20559.6116 14558.9501 265.0146 -202825.8588 2152.8971 0.0000 0.0000 52177.6692 -109149.5864 299.8658 -161327.2556 -108782.1431 300.3093 -135.0468 -111.4109 761953.3748 -12.2556 -12.1163 PRESSURE: 2891200 60.4785 49.6521 -129.181 49.652 -268.743 -95.3012 -129.181 -95.3007 -211.456 GPRESSURE: 2891200 133.047 -39.181 -147.471 -19.0087 -208.57 -94.1277 -85.2833 -109.533 -265.56 PRESSAVG: 2891200 -9.99227 -39.1514 -73.1293 -39.1515 2.61807 -78.2348 -73.1293 -78.2347 11.4233 GPRESSAVG: 2891200 -8.61581 -38.1688 -72.7869 -41.4327 1.33284 -79.6042 -73.8938 -77.3343 11.1352 TIMING: 2891200 CPU: 9207, 0.00313172/step Wall: 9207, 0.00313172/step, 1.83449 hours remaining, 234.976562 MB of memory in use. ENERGY: 2891200 3966.2825 20676.1915 14436.0444 250.6435 -203161.8975 2296.7092 0.0000 0.0000 52422.1894 -109113.8370 301.2710 -161536.0264 -108749.0696 299.9983 -139.9069 -113.6943 760895.8059 1.3497 1.2841 PRESSURE: 2891400 138.768 -198.991 -172.839 -198.991 238.947 -95.7232 -172.839 -95.7234 -269.547 GPRESSURE: 2891400 151.217 -155.997 -45.6294 -61.2798 222.149 -113.934 -156.607 -40.7502 -196.264 PRESSAVG: 2891400 72.2601 -65.4663 -14.3038 -65.4663 -18.138 15.1846 -14.3038 15.1846 11.3657 GPRESSAVG: 2891400 72.2718 -65.348 -13.2269 -64.4867 -16.9995 17.2123 -13.7172 15.3125 10.3367 TIMING: 2891400 CPU: 9207.63, 0.00314883/step Wall: 9207.63, 0.00314883/step, 1.84434 hours remaining, 234.976562 MB of memory in use. ENERGY: 2891400 3979.9883 20508.5039 14508.7006 273.0428 -203382.8017 2610.1007 0.0000 0.0000 52137.5849 -109364.8805 299.6354 -161502.4654 -108996.3551 299.8173 36.0561 59.0340 762645.7524 21.8293 21.8697 PRESSURE: 2891600 111.772 -116.274 -138.011 -116.274 -321.026 244.801 -138.011 244.8 176.68 GPRESSURE: 2891600 129.591 -145.042 -58.0749 -103.227 -245.655 181.226 -174.896 108.475 179.962 PRESSAVG: 2891600 -11.6755 -22.8944 -13.7603 -22.8944 -26.7378 4.06904 -13.7603 4.06901 4.68321 GPRESSAVG: 2891600 -13.0471 -22.9692 -13.1398 -20.7911 -27.1707 0.524429 -13.8645 4.15364 6.20939 TIMING: 2891600 CPU: 9208.25, 0.0031345/step Wall: 9208.25, 0.0031345/step, 1.83577 hours remaining, 234.976562 MB of memory in use. ENERGY: 2891600 3912.1333 20567.7081 14493.5177 248.7895 -203153.1036 2508.6325 0.0000 0.0000 51875.3818 -109546.9406 298.1285 -161422.3225 -109186.3694 299.0155 -10.8581 21.2993 761831.3324 -11.2434 -11.3361 PRESSURE: 2891800 -104.37 39.3143 -192.822 39.3147 -498.299 104.437 -192.821 104.437 -312.812 GPRESSURE: 2891800 -109.516 20.7091 -114.409 125.537 -404.813 137.077 -126.608 131.795 -310.566 PRESSAVG: 2891800 -3.46181 -32.5106 -56.7307 -32.5106 -17.7467 17.5916 -56.7307 17.5916 2.934 GPRESSAVG: 2891800 -2.16052 -33.267 -57.2253 -33.748 -19.0006 20.8437 -56.6996 19.4634 2.90004 TIMING: 2891800 CPU: 9208.88, 0.0031445/step Wall: 9208.88, 0.0031445/step, 1.84146 hours remaining, 234.976562 MB of memory in use. ENERGY: 2891800 4025.9648 20633.7747 14406.9477 241.3897 -203314.3583 2410.5180 0.0000 0.0000 52124.4599 -109471.3034 299.5600 -161595.7633 -109110.4882 298.6953 -305.1605 -274.9650 762150.4966 -6.0915 -6.0870 PRESSURE: 2892000 278.899 136.731 -211.383 136.731 341.981 8.02134 -211.382 8.02177 -326.278 GPRESSURE: 2892000 367.599 156.479 -177.298 149.561 370.04 69.7164 -179.916 38.8814 -341.955 PRESSAVG: 2892000 15.926 -28.5951 -2.74946 -28.5951 -13.8022 11.3214 -2.74948 11.3214 -13.6628 GPRESSAVG: 2892000 17.4757 -27.6229 -5.29065 -27.8262 -13.3671 9.75487 -0.992936 11.0087 -14.7374 TIMING: 2892000 CPU: 9209.51, 0.00312028/step Wall: 9209.51, 0.00312028/step, 1.8271 hours remaining, 234.976562 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: 2892000 4020.2318 20416.2181 14481.6849 224.2787 -202954.0296 2392.5799 0.0000 0.0000 51789.6644 -109629.3716 297.6359 -161419.0361 -109275.0029 298.7752 98.2006 131.8944 760727.7915 -3.8464 -3.5430 PRESSURE: 2892200 -126.13 30.2003 74.0434 30.2006 138.32 -213.063 74.0437 -213.064 131.656 GPRESSURE: 2892200 -33.5947 22.9374 149.004 54.3551 117.037 -185.83 52.0351 -102.452 144.577 PRESSAVG: 2892200 59.0312 18.0042 -4.76369 18.0042 -32.5264 13.6109 -4.76377 13.6109 8.82422 GPRESSAVG: 2892200 57.7548 19.8044 -1.8442 15.8401 -32.9916 13.0215 -7.4083 13.0567 10.3267 TIMING: 2892200 CPU: 9210.14, 0.00314844/step Wall: 9210.14, 0.00314844/step, 1.84341 hours remaining, 234.976562 MB of memory in use. ENERGY: 2892200 4020.3925 20594.0594 14356.1619 245.0217 -203319.5385 2566.5092 0.0000 0.0000 52126.8976 -109410.4962 299.5740 -161537.3938 -109050.5101 299.4679 47.9487 76.0065 760401.9627 11.7763 11.6966 LDB: ============= START OF LOAD BALANCING ============== 9222.56 LDB: ============== END OF LOAD BALANCING =============== 9222.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9222.56 LDB: ============= START OF LOAD BALANCING ============== 9222.87 LDB: Largest compute 7034 load 0.030280 is 15.5% of average load 0.195548 LDB: Average compute 0.004370 is 2.2% of average load 0.195548 LDB: TIME 9222.88 LOAD: AVG 0.195548 MAX 0.217391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 9222.88 LOAD: AVG 0.195548 MAX 0.217391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: TIME 9222.88 LOAD: AVG 0.195548 MAX 0.217391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.422 MB LDB: ============== END OF LOAD BALANCING =============== 9222.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9222.88 PRESSURE: 2892400 166.531 -52.5555 367.112 -52.5559 -289.938 -50.228 367.111 -50.2276 -337.337 GPRESSURE: 2892400 72.5984 -101.207 428.772 31.1645 -138.938 -63.2643 309.681 -80.6581 -306.567 PRESSAVG: 2892400 28.0462 -41.2001 -56.0087 -41.2001 -30.5032 -22.6442 -56.0087 -22.6443 7.93894 GPRESSAVG: 2892400 27.6126 -43.0825 -55.4824 -37.8941 -29.0977 -20.9631 -56.1157 -24.5652 6.40988 TIMING: 2892400 CPU: 9210.78, 0.00321103/step Wall: 9210.78, 0.00321103/step, 1.87988 hours remaining, 232.910156 MB of memory in use. ENERGY: 2892400 3990.7044 20594.5699 14384.4172 246.6852 -203027.0526 2184.8681 0.0000 0.0000 52083.2988 -109542.5091 299.3234 -161625.8078 -109183.6989 299.3755 -153.5812 -124.3023 760908.4289 1.8273 1.6416 PRESSURE: 2892600 -208.825 223.972 -449.403 223.972 -89.4335 28.0983 -449.403 28.0981 -261.491 GPRESSURE: 2892600 -149.996 223.393 -435.088 79.7693 -129.331 -22.2485 -495.525 90.8208 -204.661 PRESSAVG: 2892600 28.3593 -59.5694 -18.4675 -59.5694 -13.7356 12.3004 -18.4675 12.3004 -20.2542 GPRESSAVG: 2892600 28.1175 -59.1618 -19.5559 -62.4892 -14.8945 11.9785 -17.8488 13.9451 -18.2361 TIMING: 2892600 CPU: 9211.41, 0.00314328/step Wall: 9211.41, 0.00314328/step, 1.84004 hours remaining, 232.910156 MB of memory in use. ENERGY: 2892600 4041.2516 20599.1091 14452.9987 249.4366 -203410.3777 2412.7073 0.0000 0.0000 52087.3665 -109567.5079 299.3468 -161654.8744 -109211.2299 299.1553 -186.5831 -161.3295 759755.4715 -1.8768 -1.6711 PRESSURE: 2892800 83.2357 56.0991 163.251 56.0993 24.1816 -135.593 163.25 -135.593 -167.305 GPRESSURE: 2892800 171.6 111.609 243.435 119.937 117.522 -174.776 153.307 -92.6691 -258.592 PRESSAVG: 2892800 -22.0286 -62.4892 -33.1024 -62.4892 12.0825 45.1779 -33.1023 45.1779 22.0481 GPRESSAVG: 2892800 -21.5002 -60.2546 -33.5063 -62.1348 12.7506 44.1481 -34.2093 44.8763 20.3308 TIMING: 2892800 CPU: 9212.04, 0.00313999/step Wall: 9212.04, 0.00313999/step, 1.83794 hours remaining, 232.910156 MB of memory in use. ENERGY: 2892800 4075.8152 20396.7188 14476.6937 242.9278 -203505.4140 2767.3085 0.0000 0.0000 52002.1681 -109543.7819 298.8572 -161545.9500 -109195.8428 299.1775 -19.9626 10.1768 760176.2957 4.0340 3.8604 PRESSURE: 2893000 -131.802 -178.445 -166.587 -178.445 -11.1949 18.5548 -166.587 18.5566 -497.892 GPRESSURE: 2893000 -176.297 -116.892 -140.463 -136.668 71.3442 -12.7936 -190.969 86.8892 -421.472 PRESSAVG: 2893000 75.5768 -63.8712 -16.7531 -63.8712 -60.4276 13.3133 -16.7531 13.3134 -2.03885 GPRESSAVG: 2893000 74.4877 -65.9185 -16.6564 -63.5367 -59.4087 14.5081 -15.2088 14.0596 -1.58775 TIMING: 2893000 CPU: 9212.66, 0.00313346/step Wall: 9212.66, 0.00313346/step, 1.83395 hours remaining, 232.992188 MB of memory in use. ENERGY: 2893000 4041.4083 20517.9774 14420.5339 251.3044 -203563.8359 2483.9618 0.0000 0.0000 52137.4793 -109711.1708 299.6348 -161848.6501 -109342.9141 299.1130 -213.6299 -175.4748 761021.7015 4.3701 4.4971 PRESSURE: 2893200 -51.813 285.62 -78.2421 285.62 -167.678 130.778 -78.2414 130.778 108.657 GPRESSURE: 2893200 51.3705 159.533 -145.24 189.663 -179.703 156.855 -134.537 86.7866 82.6698 PRESSAVG: 2893200 23.7726 -24.8135 -75.9594 -24.8135 -79.2773 18.5296 -75.9594 18.5296 -4.9342 GPRESSAVG: 2893200 24.1722 -26.8485 -76.2437 -25.1466 -79.7091 20.2257 -76.4505 17.2604 -5.01134 TIMING: 2893200 CPU: 9213.29, 0.00312242/step Wall: 9213.29, 0.00312242/step, 1.82731 hours remaining, 232.992188 MB of memory in use. ENERGY: 2893200 4049.5659 20405.6425 14521.3236 247.7071 -203491.7329 2482.9732 0.0000 0.0000 51595.6016 -110188.9188 296.5206 -161784.5205 -109824.9191 298.5831 -36.9447 -15.2210 760345.4693 -20.1463 -20.1828 PRESSURE: 2893400 79.204 15.1376 -70.0552 15.1372 -123.673 -24.6828 -70.0547 -24.6824 201.446 GPRESSURE: 2893400 144.187 89.465 -91.0271 50.7266 -109.036 -62.1516 -169.369 -70.4795 193.436 PRESSAVG: 2893400 41.3178 -78.2555 -6.49301 -78.2554 -46.6204 15.3747 -6.49302 15.3746 22.7059 GPRESSAVG: 2893400 41.4436 -75.5453 -5.01395 -78.8804 -45.7281 15.2178 -9.15978 16.0686 22.0511 TIMING: 2893400 CPU: 9213.91, 0.0031286/step Wall: 9213.91, 0.00312859/step, 1.83075 hours remaining, 233.062500 MB of memory in use. ENERGY: 2893400 4057.1497 20443.7607 14383.3071 259.6541 -204150.3301 2689.2973 0.0000 0.0000 52006.6108 -110310.5503 298.8827 -162317.1611 -109942.7324 297.8054 52.3259 76.1957 759857.4679 5.8011 5.9222 PRESSURE: 2893600 -6.54453 -180.161 -40.5605 -180.16 -89.8711 -58.9671 -40.5606 -58.9663 17.6436 GPRESSURE: 2893600 137.586 -207.188 -129.487 -276.139 -110.062 -41.627 -55.7075 -51.0769 3.89857 PRESSAVG: 2893600 6.6972 -86.4911 -12.617 -86.4911 -13.3551 30.7948 -12.6169 30.7948 -21.8623 GPRESSAVG: 2893600 6.42431 -86.5621 -13.0097 -86.6054 -13.16 30.5194 -10.2562 29.2424 -21.3822 TIMING: 2893600 CPU: 9214.55, 0.00316485/step Wall: 9214.55, 0.00316485/step, 1.85179 hours remaining, 233.062500 MB of memory in use. ENERGY: 2893600 4008.2496 20498.4811 14442.3416 235.3133 -203717.6859 2548.1702 0.0000 0.0000 51902.6400 -110082.4901 298.2852 -161985.1301 -109728.5501 297.7220 -26.2574 10.4742 760926.0261 -9.5067 -9.3726 PRESSURE: 2893800 -179.806 -26.2234 -73.0934 -26.2231 134.705 146.917 -73.094 146.917 225.298 GPRESSURE: 2893800 -98.4918 -29.2826 -40.4403 -19.6547 81.2874 60.0265 -137.773 96.6674 281.805 PRESSAVG: 2893800 -12.7574 -59.3297 26.257 -59.3298 -12.7542 25.6993 26.257 25.6992 2.95622 GPRESSAVG: 2893800 -11.9174 -59.6617 25.9227 -58.7037 -14.5049 25.0701 25.4835 26.7565 3.89183 TIMING: 2893800 CPU: 9215.18, 0.00315306/step Wall: 9215.18, 0.00315306/step, 1.84471 hours remaining, 233.062500 MB of memory in use. ENERGY: 2893800 3950.2474 20491.4177 14447.6561 251.4761 -203112.7369 2423.5505 0.0000 0.0000 51781.8849 -109766.5043 297.5912 -161548.3892 -109399.9094 298.0149 60.0656 88.2001 762479.0099 -7.5184 -7.5102 PRESSURE: 2894000 -169.532 -129.022 -70.5092 -129.022 68.1836 -3.71926 -70.509 -3.7182 -543.865 GPRESSURE: 2894000 -67.4067 -58.4039 -12.122 -43.9962 43.8122 18.2231 -78.6651 -58.4726 -568.425 PRESSAVG: 2894000 -23.5026 -49.4572 -25.6582 -49.4572 24.5184 -2.28461 -25.6582 -2.28456 12.4164 GPRESSAVG: 2894000 -22.9834 -49.6382 -27.4001 -50.3784 24.2309 -2.64419 -23.6929 -1.743 11.7729 TIMING: 2894000 CPU: 9215.8, 0.00313935/step Wall: 9215.8, 0.00313935/step, 1.83652 hours remaining, 233.062500 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: 2894000 3974.7394 20450.6883 14475.4107 282.5720 -203709.7232 2767.2048 0.0000 0.0000 52051.0905 -109708.0174 299.1383 -161759.1079 -109342.4727 298.4196 -215.0709 -197.3399 762366.1757 4.4774 4.3401 PRESSURE: 2894200 -102.226 -17.429 258.091 -17.4286 92.5948 -108.748 258.091 -108.75 291.281 GPRESSURE: 2894200 -34.0005 -80.9782 126.375 24.4793 180.921 -72.2377 73.6063 -28.1474 224.541 PRESSAVG: 2894200 -2.87942 -36.7696 -21.393 -36.7696 71.3899 -7.02719 -21.3929 -7.02729 -8.86683 GPRESSAVG: 2894200 -2.20764 -37.0086 -22.6368 -37.3479 72.308 -8.41038 -22.9189 -6.45726 -9.95624 TIMING: 2894200 CPU: 9216.44, 0.00317845/step Wall: 9216.44, 0.00317845/step, 1.85922 hours remaining, 233.062500 MB of memory in use. ENERGY: 2894200 3953.0604 20327.3269 14523.7626 268.8435 -203372.6498 2587.3757 0.0000 0.0000 51857.2490 -109855.0317 298.0243 -161712.2807 -109498.3100 298.0913 93.8834 123.8203 760706.7524 19.8812 20.0481 PRESSURE: 2894400 -16.9485 -105.012 -109.414 -105.013 176.48 -55.9666 -109.415 -55.9684 238.935 GPRESSURE: 2894400 4.006 -168.663 -137.778 -61.5908 191.299 -64.5942 -46.934 -81.0998 255.353 PRESSAVG: 2894400 -15.1836 -13.7811 32.9425 -13.7811 -14.6968 68.3061 32.9425 68.3061 14.9516 GPRESSAVG: 2894400 -16.1811 -14.3823 34.976 -13.7002 -15.1258 68.6654 32.7503 68.4091 16.5556 TIMING: 2894400 CPU: 9217.07, 0.00315137/step Wall: 9217.07, 0.00315137/step, 1.8432 hours remaining, 233.062500 MB of memory in use. ENERGY: 2894400 4008.5849 20446.6807 14514.6497 237.7272 -203915.8067 2849.7069 0.0000 0.0000 51800.7607 -110057.6966 297.6997 -161858.4573 -109704.3323 298.2532 132.8224 150.2196 760949.7185 -4.9763 -4.9171 PRESSURE: 2894600 -214.02 -179.568 315.143 -179.567 -229.249 20.2195 315.144 20.2185 -140.421 GPRESSURE: 2894600 -243.067 -181.245 312.751 -155.915 -186.013 37.781 348.209 -68.8505 -68.1147 PRESSAVG: 2894600 -18.8424 -40.5342 0.884095 -40.5342 29.4878 10.6606 0.88409 10.6606 23.421 GPRESSAVG: 2894600 -19.1497 -38.9958 0.892185 -38.9541 29.7764 10.7569 2.34595 10.9981 23.6787 TIMING: 2894600 CPU: 9217.69, 0.00312154/step Wall: 9217.69, 0.00312154/step, 1.82558 hours remaining, 233.062500 MB of memory in use. ENERGY: 2894600 3960.1483 20387.4481 14438.5052 242.1624 -203736.8309 2766.8791 0.0000 0.0000 52056.6275 -109885.0603 299.1702 -161941.6879 -109531.5286 298.2996 -194.5635 -165.7314 762618.1185 11.3555 11.4351 PRESSURE: 2894800 289.286 -102.427 -173.328 -102.427 210.36 -6.70099 -173.327 -6.70143 -496.528 GPRESSURE: 2894800 298.481 -52.9149 -114.002 51.4435 208.192 27.5827 -166.356 -17.2326 -394.321 PRESSAVG: 2894800 -36.4182 0.0801085 56.829 0.0800827 24.3461 14.4938 56.8289 14.4938 2.80606 GPRESSAVG: 2894800 -35.6965 -0.62051 56.0636 1.76515 24.5637 14.8203 54.6378 13.8385 2.27895 TIMING: 2894800 CPU: 9218.32, 0.00312878/step Wall: 9218.32, 0.00312878/step, 1.82964 hours remaining, 233.062500 MB of memory in use. ENERGY: 2894800 3895.4946 20467.0047 14462.8443 243.9834 -203460.9190 2744.8844 0.0000 0.0000 52040.9763 -109605.7313 299.0802 -161646.7075 -109239.0716 299.0210 1.0394 37.4506 761712.1754 -3.0887 -2.9513 PRESSURE: 2895000 -170.914 122.344 -103.822 122.344 35.9192 -172.078 -103.822 -172.078 195.507 GPRESSURE: 2895000 -92.7187 115.798 -121.291 114.185 59.8188 -119.745 -90.7097 -41.2918 202.608 PRESSAVG: 2895000 -50.6436 -32.7194 1.09119 -32.7194 35.6623 24.5336 1.09122 24.5336 -19.0023 GPRESSAVG: 2895000 -50.9854 -33.3065 3.22834 -34.6022 36.0045 25.5547 2.92578 23.7002 -19.32 TIMING: 2895000 CPU: 9218.94, 0.00312396/step Wall: 9218.94, 0.00312396/step, 1.82665 hours remaining, 233.062500 MB of memory in use. ENERGY: 2895000 3929.7455 20397.7485 14532.8788 255.0647 -203150.1080 2462.1164 0.0000 0.0000 51949.2708 -109623.2834 298.5532 -161572.5542 -109262.5803 299.1536 20.1705 56.5694 760524.7981 -11.3279 -11.4337 PRESSURE: 2895200 317.785 40.5481 -137.636 40.5477 424.017 -191.441 -137.636 -191.439 435.535 GPRESSURE: 2895200 330.879 -103.533 -63.6223 -13.8001 446.974 -182.692 -190.863 -10.2426 455.168 PRESSAVG: 2895200 48.3178 5.79331 65.6409 5.79328 -34.5575 68.3101 65.641 68.3101 -16.8801 GPRESSAVG: 2895200 47.7216 5.82921 66.3852 6.20001 -35.1527 69.2274 64.6877 68.7523 -16.107 TIMING: 2895200 CPU: 9219.57, 0.00312405/step Wall: 9219.57, 0.00312405/step, 1.82653 hours remaining, 233.062500 MB of memory in use. ENERGY: 2895200 4007.9118 20334.4279 14509.0319 229.8299 -203526.7128 2767.7136 0.0000 0.0000 52125.6844 -109552.1133 299.5670 -161677.7977 -109191.8927 299.2045 392.4459 411.0070 760599.2508 -1.0399 -1.1794 PRESSURE: 2895400 -138.808 23.2148 -65.3847 23.2141 -65.1806 49.4869 -65.3839 49.4855 105.691 GPRESSURE: 2895400 -98.131 187.004 -130.619 -4.53062 -43.1402 35.0169 55.8903 25.6833 113.132 PRESSAVG: 2895400 8.81219 -19.0757 19.4118 -19.0757 -13.789 28.9915 19.4117 28.9915 -3.89215 GPRESSAVG: 2895400 9.65581 -19.5121 16.2898 -19.8382 -13.9149 27.7164 20.036 29.5889 -4.7018 TIMING: 2895400 CPU: 9220.19, 0.00312333/step Wall: 9220.19, 0.00312333/step, 1.82594 hours remaining, 233.062500 MB of memory in use. ENERGY: 2895400 3978.5503 20810.6954 14446.2687 252.0849 -203175.2721 2373.9808 0.0000 0.0000 51886.9236 -109426.7684 298.1949 -161313.6920 -109062.8226 298.9106 -32.7658 -9.3798 762158.2189 -2.9563 -2.9870 PRESSURE: 2895600 -49.176 -17.8736 37.2047 -17.8736 -167.334 85.5139 37.2055 85.5137 15.4943 GPRESSURE: 2895600 113.414 -8.51776 74.0657 101.117 -148.526 118.175 -75.5472 26.6267 -82.2343 PRESSAVG: 2895600 43.2602 28.6146 10.3181 28.6147 -41.5531 20.7886 10.318 20.7886 -6.76738 GPRESSAVG: 2895600 42.4232 31.0087 11.8747 29.3737 -40.7797 20.2398 9.58307 21.0443 -6.4212 TIMING: 2895600 CPU: 9220.82, 0.00312615/step Wall: 9220.82, 0.00312615/step, 1.82741 hours remaining, 233.062500 MB of memory in use. ENERGY: 2895600 3998.8836 20584.9245 14424.8254 263.5546 -202940.2895 2352.0475 0.0000 0.0000 51951.9271 -109364.1268 298.5684 -161316.0539 -109002.1628 299.2137 -67.0054 -39.1153 762306.9082 -1.6867 -1.5926 PRESSURE: 2895800 -288.771 123.419 10.5333 123.419 -19.148 -236.804 10.5346 -236.804 -215.186 GPRESSURE: 2895800 -256.23 62.367 -61.0016 -4.00263 -3.16044 -159.947 58.1388 -132.086 -167.198 PRESSAVG: 2895800 41.343 12.546 37.1008 12.5459 -13.7538 -12.4826 37.1007 -12.4826 2.06932 GPRESSAVG: 2895800 42.5936 11.0903 37.173 13.3466 -14.99 -13.1585 36.7188 -12.5255 1.66295 TIMING: 2895800 CPU: 9221.45, 0.00313629/step Wall: 9221.45, 0.00313629/step, 1.83316 hours remaining, 233.062500 MB of memory in use. ENERGY: 2895800 3958.7305 20508.9164 14404.1165 223.8725 -203207.4331 2772.3809 0.0000 0.0000 52074.1154 -109265.3009 299.2707 -161339.4163 -108910.4818 299.7536 -174.3686 -142.1961 762403.3091 9.8862 9.7555 PRESSURE: 2896000 -93.3044 -80.8894 -4.52154 -80.8893 -177.777 -96.7701 -4.52174 -96.7682 46.9291 GPRESSURE: 2896000 -118.375 -116.139 20.6007 -74.4729 -80.152 -106.801 75.0346 48.6033 58.6763 PRESSAVG: 2896000 -22.6212 -3.76892 -22.04 -3.76888 2.60258 -4.83171 -22.04 -4.83176 -16.5756 GPRESSAVG: 2896000 -22.5549 -3.84409 -23.1647 -3.61395 1.99109 -0.396577 -20.4474 -7.13068 -15.7586 TIMING: 2896000 CPU: 9222.07, 0.00311059/step Wall: 9222.07, 0.00311059/step, 1.81797 hours remaining, 233.062500 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: 2896000 4010.6416 20433.0240 14483.4638 231.7717 -202953.2618 2543.6442 0.0000 0.0000 51977.2762 -109273.4403 298.7141 -161250.7165 -108907.2304 299.5885 -74.7175 -46.6170 761823.6973 -12.1981 -12.1075 PRESSURE: 2896200 -15.7414 -99.7181 50.7075 -99.717 -18.1398 17.0107 50.7075 17.0111 207.462 GPRESSURE: 2896200 -27.6321 -143.775 45.3888 -75.675 70.8012 35.2419 -30.4666 119.499 229.856 PRESSAVG: 2896200 5.87033 -50.5182 0.355703 -50.5182 -17.9392 16.948 0.35584 16.948 -11.7386 GPRESSAVG: 2896200 5.70037 -51.2008 1.21858 -51.0121 -16.2807 14.5058 -0.729782 18.1412 -13.0883 TIMING: 2896200 CPU: 9222.69, 0.00311769/step Wall: 9222.69, 0.00311769/step, 1.82195 hours remaining, 233.062500 MB of memory in use. ENERGY: 2896200 3971.3027 20435.8528 14401.5530 261.4725 -203235.6624 2736.3209 0.0000 0.0000 51941.7841 -109487.3763 298.5101 -161429.1604 -109128.1012 298.9699 57.8604 91.0084 758576.1437 -7.9358 -7.8895 LDB: ============= START OF LOAD BALANCING ============== 9235.11 LDB: ============== END OF LOAD BALANCING =============== 9235.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9235.11 LDB: ============= START OF LOAD BALANCING ============== 9235.43 LDB: Largest compute 7025 load 0.031775 is 16.3% of average load 0.195528 LDB: Average compute 0.004383 is 2.2% of average load 0.195528 LDB: TIME 9235.43 LOAD: AVG 0.195528 MAX 0.216262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 9235.43 LOAD: AVG 0.195528 MAX 0.216262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 9235.43 LOAD: AVG 0.195528 MAX 0.216262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: ============== END OF LOAD BALANCING =============== 9235.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9235.44 PRESSURE: 2896400 274.542 -18.3035 -1.82335 -18.3028 34.5468 4.984 -1.82373 4.98394 -307.35 GPRESSURE: 2896400 341.648 -14.005 51.0616 30.0833 -6.99657 -76.5684 -4.50691 -34.0748 -268.982 PRESSAVG: 2896400 31.5468 -74.4215 3.24014 -74.4215 8.26772 0.401089 3.24013 0.401203 14.4763 GPRESSAVG: 2896400 30.6039 -74.824 3.97479 -71.1943 7.72708 0.824235 1.07464 -0.654861 15.2947 TIMING: 2896400 CPU: 9223.33, 0.00319555/step Wall: 9223.33, 0.00319555/step, 1.86727 hours remaining, 233.304688 MB of memory in use. ENERGY: 2896400 3957.0343 20388.2896 14502.2907 255.5330 -203275.0609 2540.4440 0.0000 0.0000 51891.4834 -109739.9859 298.2211 -161631.4693 -109380.8683 298.8955 0.5797 21.8901 761115.8502 18.0970 17.8752 PRESSURE: 2896600 90.8347 121.428 -4.92172 121.428 -312.816 2.41012 -4.92084 2.40977 -163.206 GPRESSURE: 2896600 26.7858 32.7574 19.1502 147.327 -194.776 -20.4137 43.6079 -3.71934 -119.393 PRESSAVG: 2896600 14.5725 -79.5715 17.7292 -79.5715 -63.2102 62.5675 17.7292 62.5674 13.6771 GPRESSAVG: 2896600 13.4337 -76.3513 17.5186 -82.6491 -61.5755 61.3936 20.7583 61.4203 12.5202 TIMING: 2896600 CPU: 9223.96, 0.00313181/step Wall: 9223.96, 0.00313181/step, 1.82985 hours remaining, 233.304688 MB of memory in use. ENERGY: 2896600 3908.5504 20391.3218 14490.0158 234.2210 -203009.0989 2365.4982 0.0000 0.0000 51853.8466 -109765.6450 298.0048 -161619.4916 -109402.6441 298.1878 -128.3957 -95.7943 761562.6738 -11.6535 -11.8739 PRESSURE: 2896800 -171.655 -74.2835 66.6038 -74.283 -202.862 -125.513 66.6038 -125.514 -384.194 GPRESSURE: 2896800 -118.05 -81.5817 152.277 -6.5018 -282.923 -87.7902 151.012 37.0049 -301.077 PRESSAVG: 2896800 35.773 -15.296 29.217 -15.296 1.2741 45.491 29.2169 45.491 -6.92558 GPRESSAVG: 2896800 37.2611 -17.426 29.7951 -14.6153 0.577443 45.4347 28.3334 48.253 -7.06568 TIMING: 2896800 CPU: 9224.59, 0.00314431/step Wall: 9224.59, 0.00314431/step, 1.83698 hours remaining, 233.304688 MB of memory in use. ENERGY: 2896800 3977.9279 20484.9144 14524.8440 261.9950 -203325.2825 2368.7769 0.0000 0.0000 52009.8672 -109696.9572 298.9014 -161706.8244 -109348.4284 298.6163 -252.9039 -234.0167 761524.9467 10.0405 10.2576 PRESSURE: 2897000 42.5246 -35.492 272.384 -35.4917 -393.844 -423.907 272.384 -423.907 -123.209 GPRESSURE: 2897000 -37.1015 -9.4234 243.99 -121.24 -362.681 -374.14 219.496 -327.289 -17.96 PRESSAVG: 2897000 -73.6439 -103.506 -15.6543 -103.506 44.5037 -8.37555 -15.6543 -8.37564 -8.97118 GPRESSAVG: 2897000 -73.1216 -101.401 -16.0784 -105.21 43.1727 -7.83282 -16.5772 -7.57936 -8.55479 TIMING: 2897000 CPU: 9225.21, 0.00314253/step Wall: 9225.21, 0.00314253/step, 1.83576 hours remaining, 233.304688 MB of memory in use. ENERGY: 2897000 3912.3823 20559.7158 14468.8057 258.0474 -203153.9460 2573.6436 0.0000 0.0000 51958.4388 -109422.9124 298.6059 -161381.3512 -109060.9113 299.0534 -158.1761 -139.2476 763034.5457 -12.7038 -12.8346 PRESSURE: 2897200 -261.308 -11.0342 -272.393 -11.0337 13.4795 -20.791 -272.393 -20.7916 -63.4136 GPRESSURE: 2897200 -215.214 -4.97289 -303.177 -96.7845 136.884 -28.3694 -185.567 -48.7958 -140.31 PRESSAVG: 2897200 -69.8576 -77.3923 9.42286 -77.3922 29.4251 -8.92066 9.42283 -8.92063 -26.0415 GPRESSAVG: 2897200 -70.3054 -78.1216 8.85422 -77.2264 29.2625 -8.72391 10.7781 -9.34559 -25.3924 TIMING: 2897200 CPU: 9225.84, 0.00313332/step Wall: 9225.84, 0.00313332/step, 1.83021 hours remaining, 233.304688 MB of memory in use. ENERGY: 2897200 3949.0402 20690.0089 14445.6914 239.0991 -203122.3161 2444.4606 0.0000 0.0000 52115.2468 -109238.7690 299.5070 -161354.0158 -108875.0513 299.6949 -103.7474 -72.8799 759903.1335 -22.1580 -22.1451 PRESSURE: 2897400 65.4339 -28.3495 131.074 -28.3495 341.883 -11.3804 131.074 -11.381 -22.068 GPRESSURE: 2897400 76.173 -18.9882 137.792 -25.8986 345.161 19.2923 185.409 -38.5398 43.2008 PRESSAVG: 2897400 38.7097 -86.3087 28.457 -86.3087 -16.4425 23.5874 28.457 23.5874 18.2525 GPRESSAVG: 2897400 37.5948 -85.0807 29.6153 -85.1821 -15.1269 23.4843 28.408 22.1963 17.5491 TIMING: 2897400 CPU: 9226.47, 0.00313113/step Wall: 9226.47, 0.00313113/step, 1.82875 hours remaining, 233.304688 MB of memory in use. ENERGY: 2897400 3957.9042 20552.3830 14453.2785 252.6967 -203320.5998 2735.7870 0.0000 0.0000 52211.1903 -109157.3601 300.0584 -161368.5504 -108799.9763 299.7812 128.4162 154.8449 760934.8608 13.5066 13.3390 PRESSURE: 2897600 -186.352 59.7937 109.869 59.7931 -112.411 -89.5114 109.869 -89.5106 -206.781 GPRESSURE: 2897600 -86.8686 197.091 130.438 30.9843 -125.184 20.4404 117.967 41.4522 -237.297 PRESSAVG: 2897600 24.0787 -12.3096 -33.6142 -12.3096 0.707511 32.2348 -33.6142 32.2348 -19.3913 GPRESSAVG: 2897600 25.8465 -13.0095 -35.1159 -14.0393 -0.533439 32.0797 -31.8933 33.0837 -20.1279 TIMING: 2897600 CPU: 9227.1, 0.00314666/step Wall: 9227.1, 0.00314666/step, 1.83765 hours remaining, 233.304688 MB of memory in use. ENERGY: 2897600 4076.9808 20553.8431 14511.2773 226.7993 -203386.7853 2475.0727 0.0000 0.0000 52360.2238 -109182.5884 300.9149 -161542.8121 -108814.8990 300.1023 -168.5147 -149.7835 760880.2931 1.7983 1.7284 PRESSURE: 2897800 193.539 29.582 -83.9679 29.5819 163.206 41.8065 -83.968 41.8056 54.466 GPRESSURE: 2897800 213.022 -5.97131 -44.1015 38.3845 178.643 -5.32915 -99.9134 -36.9337 104.332 PRESSAVG: 2897800 -12.8868 -47.6316 11.8367 -47.6316 18.6276 50.9042 11.8366 50.9042 -1.59251 GPRESSAVG: 2897800 -13.4455 -48.9585 14.7363 -45.2096 19.1165 53.8281 10.8382 49.0589 -1.85692 TIMING: 2897800 CPU: 9227.73, 0.00316454/step Wall: 9227.73, 0.00316454/step, 1.84792 hours remaining, 233.304688 MB of memory in use. ENERGY: 2897800 4002.6552 20558.7375 14438.1672 258.8030 -202947.8501 2284.9722 0.0000 0.0000 52088.4336 -109316.0814 299.3529 -161404.5150 -108960.9032 299.9481 137.0706 165.3326 761147.1886 1.3828 1.2713 PRESSURE: 2898000 -113.314 5.92988 -62.1345 5.93022 -322.055 130.802 -62.1343 130.804 -165.404 GPRESSURE: 2898000 -118.479 80.2873 -60.8161 -47.2269 -230.615 8.7292 -1.93627 78.0511 -157.441 PRESSAVG: 2898000 16.7947 -32.8851 3.71342 -32.8851 -47.8479 4.41806 3.71348 4.41811 -4.21015 GPRESSAVG: 2898000 16.2445 -31.3608 1.43615 -35.4741 -48.3937 1.07892 5.20475 5.82876 -2.7856 TIMING: 2898000 CPU: 9228.36, 0.00314863/step Wall: 9228.36, 0.00314863/step, 1.83845 hours remaining, 233.304688 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: 2898000 4034.6412 20472.5008 14580.4416 257.8090 -203052.3127 2269.2825 0.0000 0.0000 52046.1496 -109391.4879 299.1099 -161437.6376 -109028.3428 299.8326 -200.2575 -168.8452 761164.2099 -11.7545 -11.6449 PRESSURE: 2898200 -135.583 -109.359 -5.48418 -109.359 -168.315 -61.2328 -5.48309 -61.2345 389.107 GPRESSURE: 2898200 -99.0449 4.78522 -44.9023 -118.892 -83.1628 -38.9958 59.1949 -13.8863 356.825 PRESSAVG: 2898200 -24.1131 -37.7691 -31.5627 -37.7691 8.51751 2.80311 -31.5626 2.80308 -6.15682 GPRESSAVG: 2898200 -23.7771 -38.7637 -30.4615 -35.2931 8.73988 3.12221 -34.7555 2.21107 -7.0826 TIMING: 2898200 CPU: 9228.99, 0.00315037/step Wall: 9228.99, 0.00315037/step, 1.83929 hours remaining, 233.304688 MB of memory in use. ENERGY: 2898200 3929.5154 20527.9969 14465.0584 241.8342 -203435.8882 2647.3421 0.0000 0.0000 52154.8407 -109469.3006 299.7346 -161624.1413 -109115.6397 299.4254 28.4030 58.2057 762318.1825 -7.2508 -7.3733 PRESSURE: 2898400 -56.4652 -70.2947 -241.729 -70.2948 -76.2488 -16.5137 -241.73 -16.5134 -13.8757 GPRESSURE: 2898400 -19.7775 -178.295 -237.505 -104.829 -110.928 3.51094 -195.852 -113.044 53.7615 PRESSAVG: 2898400 36.3668 -37.4901 19.1593 -37.4901 -33.1647 26.1657 19.1592 26.1656 -13.2446 GPRESSAVG: 2898400 34.6511 -38.292 19.0717 -37.019 -33.092 27.9244 20.7187 27.2375 -12.2695 TIMING: 2898400 CPU: 9229.62, 0.00315301/step Wall: 9229.62, 0.00315301/step, 1.84066 hours remaining, 233.304688 MB of memory in use. ENERGY: 2898400 3994.0143 20526.9696 14414.2965 241.9771 -202868.0262 2106.4841 0.0000 0.0000 52147.7825 -109436.5021 299.6940 -161584.2846 -109075.2641 299.3381 -48.8633 -25.6481 761881.9140 -3.3475 -3.5702 PRESSURE: 2898600 -319.718 -277.917 7.49474 -277.918 -6.55014 -234.84 7.49402 -234.842 -111.437 GPRESSURE: 2898600 -288.828 -316.258 29.4551 -249.35 60.5225 -284.293 13.9473 -224.504 -114.434 PRESSAVG: 2898600 9.46526 -25.6883 2.80362 -25.6884 -5.96487 2.69801 2.80367 2.69795 -15.763 GPRESSAVG: 2898600 9.16314 -24.6508 1.28731 -29.19 -5.88962 0.0655843 4.51949 1.93595 -16.1638 TIMING: 2898600 CPU: 9230.25, 0.00316689/step Wall: 9230.25, 0.00316689/step, 1.84858 hours remaining, 233.304688 MB of memory in use. ENERGY: 2898600 3982.9611 20296.1130 14445.8440 252.1566 -203015.0098 2400.0990 0.0000 0.0000 52029.5042 -109608.3319 299.0143 -161637.8362 -109236.2778 299.1248 -145.9019 -114.2464 763579.8761 -4.0875 -4.2967 PRESSURE: 2898800 -57.6286 -119.456 171.49 -119.457 199.702 -165.387 171.489 -165.387 -311.33 GPRESSURE: 2898800 -5.31349 -81.9466 139.268 -47.5417 196.44 -51.0303 -81.3866 -217.147 -235.357 PRESSAVG: 2898800 4.2438 -27.4997 -29.0639 -27.4997 0.684638 -22.7919 -29.0639 -22.792 -3.3974 GPRESSAVG: 2898800 5.37874 -30.4506 -27.9688 -25.3086 0.335951 -21.1052 -31.4843 -24.8619 -4.05743 TIMING: 2898800 CPU: 9230.89, 0.00316211/step Wall: 9230.89, 0.00316211/step, 1.84562 hours remaining, 233.304688 MB of memory in use. ENERGY: 2898800 4047.4268 20514.3400 14453.3685 238.8819 -203453.8964 2633.5458 0.0000 0.0000 52027.1595 -109539.1739 299.0008 -161566.3334 -109191.4808 298.6642 -56.4190 -14.7434 761831.2296 0.5103 0.5524 PRESSURE: 2899000 -330.102 -70.9118 198.338 -70.9118 94.4724 -225.79 198.338 -225.79 264.398 GPRESSURE: 2899000 -228.478 -76.5013 162.724 -89.713 71.1562 -186.004 209.207 -213.102 263.677 PRESSAVG: 2899000 -18.8726 -22.4862 -14.0851 -22.4862 -32.3532 -56.7792 -14.0851 -56.7792 2.18666 GPRESSAVG: 2899000 -18.3073 -19.2988 -15.4323 -22.0281 -32.8842 -57.3277 -13.7287 -55.6573 2.25695 TIMING: 2899000 CPU: 9231.52, 0.00314709/step Wall: 9231.52, 0.0031471/step, 1.83668 hours remaining, 233.304688 MB of memory in use. ENERGY: 2899000 3910.4543 20342.1047 14547.9041 236.6598 -203073.5724 2389.0881 0.0000 0.0000 52090.0558 -109557.3057 299.3623 -161647.3615 -109192.8087 298.6045 9.5893 35.4516 763041.7086 -16.3464 -16.3115 PRESSURE: 2899200 249.784 -50.1697 203.386 -50.1694 -28.684 74.7489 203.387 74.7491 -65.1046 GPRESSURE: 2899200 314.439 -108.157 290.731 -110.966 27.744 137.948 139.918 -6.00754 -109.806 PRESSAVG: 2899200 12.9272 -34.3867 -13.7021 -34.3868 -17.7008 -35.9982 -13.7021 -35.9982 4.36128 GPRESSAVG: 2899200 12.9812 -35.1604 -11.6075 -35.3417 -17.3379 -35.3588 -11.9347 -37.3689 3.65066 TIMING: 2899200 CPU: 9232.14, 0.00312828/step Wall: 9232.14, 0.00312828/step, 1.82552 hours remaining, 233.304688 MB of memory in use. ENERGY: 2899200 3876.7290 20525.5542 14505.6169 246.8194 -203478.8898 2899.5654 0.0000 0.0000 51832.8482 -109591.7566 297.8841 -161424.6048 -109235.9982 298.5685 51.9986 77.4590 762519.0020 -0.1374 -0.2354 PRESSURE: 2899400 -20.5749 -82.1663 -421.843 -82.1659 -47.8541 125.611 -421.843 125.612 265.462 GPRESSURE: 2899400 38.7899 -88.9748 -476.417 -161.769 -63.12 38.7569 -291.155 97.9887 308.369 PRESSAVG: 2899400 15.6227 -63.8349 -48.93 -63.8349 -51.4315 -3.39915 -48.93 -3.39904 13.5979 GPRESSAVG: 2899400 15.3503 -63.3657 -51.9917 -64.6193 -52.1352 -4.11417 -48.2512 -1.13711 14.8201 TIMING: 2899400 CPU: 9232.77, 0.00313896/step Wall: 9232.77, 0.00313896/step, 1.83158 hours remaining, 233.304688 MB of memory in use. ENERGY: 2899400 3934.6308 20284.4958 14480.4369 245.7533 -203353.0162 2818.4534 0.0000 0.0000 51867.8394 -109721.4067 298.0852 -161589.2461 -109363.2013 298.0713 65.6778 94.6796 761260.2246 -7.4036 -7.3216 PRESSURE: 2899600 -392.667 -8.76077 -44.5446 -8.76072 -298.877 -203.947 -44.5442 -203.948 232.733 GPRESSURE: 2899600 -186.709 -11.8128 -84.7305 -0.470792 -339.326 -189.511 -47.2266 -268.087 160.854 PRESSAVG: 2899600 3.90617 -49.0878 -58.8759 -49.0878 -4.7017 19.6765 -58.8759 19.6766 -16.0855 GPRESSAVG: 2899600 4.03084 -50.9575 -57.2279 -47.5429 -5.16213 20.4172 -60.9088 17.9401 -15.7592 TIMING: 2899600 CPU: 9233.39, 0.00311047/step Wall: 9233.39, 0.00311047/step, 1.81479 hours remaining, 233.304688 MB of memory in use. ENERGY: 2899600 3991.5655 20356.1943 14567.9622 247.5435 -203133.1175 2239.6965 0.0000 0.0000 51731.7011 -109998.4545 297.3028 -161730.1556 -109638.8069 298.0279 -152.9369 -121.7271 760146.9085 -5.6270 -5.6302 PRESSURE: 2899800 115.486 -94.2172 148.722 -94.2172 -2.82296 44.6698 148.722 44.6698 -154.579 GPRESSURE: 2899800 177.276 4.32098 8.41313 -26.9361 6.22159 -2.82474 234.576 152.391 -113.978 PRESSAVG: 2899800 16.7293 -0.911219 -1.34593 -0.911208 9.38999 -0.424555 -1.34597 -0.424682 16.8041 GPRESSAVG: 2899800 16.5247 -0.55476 -0.874025 -2.22214 10.3641 -2.23126 -1.30542 1.9393 15.7547 TIMING: 2899800 CPU: 9234.02, 0.00312146/step Wall: 9234.02, 0.00312146/step, 1.82103 hours remaining, 233.304688 MB of memory in use. ENERGY: 2899800 4037.1132 20328.2801 14522.0550 252.5710 -203255.0691 2444.3656 0.0000 0.0000 51798.8223 -109871.8620 297.6885 -161670.6842 -109498.5227 298.1530 -13.9721 23.1731 759866.7855 14.3078 14.2145 PRESSURE: 2900000 -332.734 89.3246 -166.811 89.3241 -406.843 105.72 -166.811 105.721 -427.188 GPRESSURE: 2900000 -251.604 114.601 -119.236 97.4868 -426.37 127.442 -159.525 39.1161 -407.686 PRESSAVG: 2900000 5.78638 -70.8251 15.6767 -70.8251 -26.9499 22.3025 15.6767 22.3025 -0.623062 GPRESSAVG: 2900000 4.04598 -69.7258 15.3645 -71.9294 -26.2439 22.6317 16.0067 18.2769 0.75945 TIMING: 2900000 CPU: 9234.64, 0.00313808/step Wall: 9234.64, 0.00313808/step, 1.83054 hours remaining, 233.304688 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: 2900000 3952.2812 20448.4619 14462.0228 249.8606 -203333.3187 2423.9650 0.0000 0.0000 51946.1525 -109850.5747 298.5353 -161796.7271 -109497.7118 298.1428 -388.9215 -361.8866 761319.2318 -7.2622 -7.1462 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.4.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 -122.088 -145.091 -190.799 -145.091 -50.7679 -24.4051 -190.8 -24.4056 -323.061 GPRESSURE: 2900200 -17.1137 -115.228 -139.683 -127.381 -31.0461 -83.9645 -55.3469 44.0009 -363.791 PRESSAVG: 2900200 73.5339 -40.5183 -11.7256 -40.5182 -13.4772 40.3653 -11.7256 40.3654 -4.5438 GPRESSAVG: 2900200 74.8517 -39.7327 -11.6132 -40.5118 -15.5044 41.8251 -13.2745 41.1952 -4.15896 TIMING: 2900200 CPU: 9235.29, 0.00324076/step Wall: 9235.29, 0.00324076/step, 1.89026 hours remaining, 233.304688 MB of memory in use. ENERGY: 2900200 4123.5503 20412.0569 14500.3662 255.6757 -203576.4073 2572.2896 0.0000 0.0000 51995.5186 -109716.9501 298.8190 -161712.4687 -109349.0100 298.7952 -165.3056 -137.3170 759163.7139 18.5043 18.3961 LDB: ============= START OF LOAD BALANCING ============== 9247.71 LDB: ============== END OF LOAD BALANCING =============== 9247.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9247.71 LDB: ============= START OF LOAD BALANCING ============== 9248.03 LDB: Largest compute 7034 load 0.033464 is 17.1% of average load 0.195636 LDB: Average compute 0.004366 is 2.2% of average load 0.195636 LDB: TIME 9248.03 LOAD: AVG 0.195636 MAX 0.216928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 9248.03 LOAD: AVG 0.195636 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: TIME 9248.03 LOAD: AVG 0.195636 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: ============== END OF LOAD BALANCING =============== 9248.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9248.04 PRESSURE: 2900400 504.133 188 -31.928 188 389.444 -208.902 -31.9287 -208.902 107.838 GPRESSURE: 2900400 497.425 190.58 -111.963 85.164 394.525 -135.015 59.5871 -135.863 190.335 PRESSAVG: 2900400 83.187 -63.4664 -23.7969 -63.4664 -65.5652 -18.2452 -23.7969 -18.2452 5.42738 GPRESSAVG: 2900400 83.1519 -65.5625 -23.9214 -60.2153 -65.1168 -19.8469 -20.903 -15.5091 4.41442 TIMING: 2900400 CPU: 9235.93, 0.00320854/step Wall: 9235.93, 0.00320854/step, 1.87129 hours remaining, 233.562500 MB of memory in use. ENERGY: 2900400 3978.7090 20525.5619 14534.3707 221.0379 -204063.0230 2978.1993 0.0000 0.0000 51927.6237 -109897.5206 298.4288 -161825.1443 -109533.5872 298.3403 333.8047 360.7617 760184.5399 7.6831 7.4832 PRESSURE: 2900600 -67.5123 87.2868 32.6906 87.2855 50.4304 74.2898 32.6902 74.2903 -141.848 GPRESSURE: 2900600 -18.6486 16.4839 -42.8005 151.33 57.2498 41.1504 -36.0029 -101.734 -122.297 PRESSAVG: 2900600 48.4601 -13.2951 -4.04921 -13.295 7.96218 -0.336925 -4.04918 -0.336872 10.2244 GPRESSAVG: 2900600 48.5841 -14.0995 -4.76309 -16.5612 8.21496 -0.0334521 -5.43943 -1.79267 9.73422 TIMING: 2900600 CPU: 9236.56, 0.00312282/step Wall: 9236.56, 0.00312282/step, 1.82113 hours remaining, 233.765625 MB of memory in use. ENERGY: 2900600 3929.0695 20361.6966 14533.7889 241.6132 -203485.4454 2589.9403 0.0000 0.0000 52143.9420 -109685.3949 299.6720 -161829.3369 -109318.5754 298.1657 -52.9765 -27.8986 759737.8208 22.2156 22.1778 PRESSURE: 2900800 -199.857 96.1793 140.929 96.1779 82.3805 155.072 140.929 155.072 387.905 GPRESSURE: 2900800 -116.028 119.95 107 8.30032 40.0669 213.743 103.79 62.5755 433.447 PRESSAVG: 2900800 5.12777 -19.8671 -22.8013 -19.8671 -23.7398 20.3309 -22.8013 20.3309 -13.8365 GPRESSAVG: 2900800 6.14793 -22.1522 -22.6174 -19.237 -25.234 21.7325 -21.0919 20 -13.6407 TIMING: 2900800 CPU: 9237.18, 0.00310915/step Wall: 9237.18, 0.00310915/step, 1.81298 hours remaining, 233.890625 MB of memory in use. ENERGY: 2900800 4038.0692 20454.1545 14468.8938 240.5410 -203439.5170 2692.6647 0.0000 0.0000 51973.5101 -109571.6838 298.6925 -161545.1939 -109209.5105 299.5588 90.1427 119.1617 761126.7231 -10.8162 -10.9089 PRESSURE: 2901000 -100.336 210.32 -3.69947 210.32 -89.7568 -85.731 -3.69896 -85.7316 -72.1443 GPRESSURE: 2901000 -165.646 222.236 -10.427 347.484 9.46988 -43.539 -75.3249 -154.176 -23.802 PRESSAVG: 2901000 13.5871 -21.6639 -14.1352 -21.6639 -27.0906 15.7814 -14.1353 15.7815 -8.80453 GPRESSAVG: 2901000 11.7732 -18.8656 -12.3804 -21.6708 -25.7046 12.9755 -16.0327 15.7242 -8.69494 TIMING: 2901000 CPU: 9237.81, 0.00315298/step Wall: 9237.81, 0.00315298/step, 1.83836 hours remaining, 233.890625 MB of memory in use. ENERGY: 2901000 3950.2583 20427.3737 14435.1101 243.0287 -203157.9959 2322.6028 0.0000 0.0000 52012.2362 -109767.3860 298.9150 -161779.6222 -109407.6807 299.1192 -87.4123 -59.9926 759838.8863 -7.4360 -7.5421 PRESSURE: 2901200 327.703 27.0858 -129.221 27.0851 171.182 -48.0397 -129.221 -48.0402 -406.301 GPRESSURE: 2901200 355.166 32.5352 -57.5872 61.775 214.174 86.0388 -272.762 -42.9873 -389.469 PRESSAVG: 2901200 57.2857 10.1962 49.5357 10.1962 -45.9055 -93.3371 49.5358 -93.3371 -0.929018 GPRESSAVG: 2901200 57.3055 10.9766 46.4779 11.4238 -46.2197 -93.0447 49.185 -91.3639 -0.304553 TIMING: 2901200 CPU: 9238.44, 0.00315577/step Wall: 9238.44, 0.00315577/step, 1.83982 hours remaining, 233.960938 MB of memory in use. ENERGY: 2901200 3959.5063 20437.7156 14510.5769 253.1396 -203907.7920 2875.6735 0.0000 0.0000 52015.2618 -109855.9183 298.9324 -161871.1801 -109496.2445 298.5194 30.8610 59.9570 760194.0483 3.4837 3.5937 PRESSURE: 2901400 -1.50832 20.4691 -186.743 20.4695 -229.397 -11.8922 -186.743 -11.8927 -34.7516 GPRESSURE: 2901400 -3.33219 68.7901 -234.887 71.0067 -162.62 -32.4056 -162.101 -59.9434 3.98659 PRESSAVG: 2901400 40.2669 -12.2246 -21.6547 -12.2245 -63.1168 -7.81238 -21.6547 -7.8124 11.404 GPRESSAVG: 2901400 41.0672 -11.4872 -19.822 -12.2991 -62.8195 -7.77112 -22.1202 -8.4064 10.4315 TIMING: 2901400 CPU: 9239.07, 0.00315346/step Wall: 9239.07, 0.00315346/step, 1.83829 hours remaining, 233.960938 MB of memory in use. ENERGY: 2901400 4000.9421 20564.1857 14461.1505 258.7989 -203527.2703 2574.6592 0.0000 0.0000 52088.7880 -109578.7458 299.3550 -161667.5339 -109219.2116 299.1434 -88.5525 -53.9887 761565.5274 -3.8153 -3.7736 PRESSURE: 2901600 26.0239 -10.495 -136.542 -10.495 112.501 190.922 -136.542 190.922 266.739 GPRESSURE: 2901600 8.00199 -42.2683 -76.4515 48.3509 164.76 119.631 27.7881 203.757 303.09 PRESSAVG: 2901600 17.4975 12.38 8.74658 12.3799 -3.61275 -9.66937 8.74659 -9.66932 -14.7868 GPRESSAVG: 2901600 16.5043 12.7562 9.82975 12.3543 -3.93253 -10.1503 9.21822 -10.4598 -13.8461 TIMING: 2901600 CPU: 9239.71, 0.00318552/step Wall: 9239.71, 0.00318552/step, 1.8568 hours remaining, 233.960938 MB of memory in use. ENERGY: 2901600 3950.9705 20480.1469 14469.3666 235.9983 -203319.7011 2619.7893 0.0000 0.0000 51970.9958 -109592.4337 298.6780 -161563.4295 -109222.4170 298.8344 135.0878 158.6175 762887.1275 -0.3007 -0.4248 PRESSURE: 2901800 27.2595 -119.542 -231.572 -119.542 -33.8725 -155.773 -231.572 -155.774 -392.853 GPRESSURE: 2901800 -4.29428 -115.919 -157.758 -1.18265 86.5613 -140.692 -239.126 -133.56 -400.762 PRESSAVG: 2901800 69.0299 -30.0398 -30.1196 -30.0398 -53.8657 -5.30457 -30.1196 -5.30461 28.6495 GPRESSAVG: 2901800 69.1947 -30.5274 -31.0374 -29.5796 -54.1451 -4.39868 -29.2016 -6.06101 28.6238 TIMING: 2901800 CPU: 9240.34, 0.00317322/step Wall: 9240.34, 0.00317322/step, 1.84946 hours remaining, 233.960938 MB of memory in use. ENERGY: 2901800 4008.8955 20658.1517 14396.7482 272.7860 -203419.0916 2385.7295 0.0000 0.0000 52000.2072 -109696.5734 298.8459 -161696.7807 -109340.4476 298.7676 -133.1552 -106.1651 761437.8951 14.6046 14.5578 PRESSURE: 2902000 15.3484 -76.2629 21.1725 -76.2636 -318.634 86.8705 21.1727 86.8717 -68.8451 GPRESSURE: 2902000 -13.7566 50.0686 126.294 -104.753 -199.692 51.957 -12.4957 -24.1859 -71.4405 PRESSAVG: 2902000 77.7231 -57.821 28.4641 -57.821 -64.0692 0.0415021 28.4641 0.0415686 -11.793 GPRESSAVG: 2902000 77.6779 -57.6149 28.8828 -57.1331 -62.2853 -0.164592 28.0374 -1.06603 -12.7918 TIMING: 2902000 CPU: 9240.97, 0.0031351/step Wall: 9240.97, 0.0031351/step, 1.82707 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2902000 3946.5827 20627.5196 14448.0679 267.9332 -203698.0679 2722.1667 0.0000 0.0000 51940.5437 -109745.2541 298.5030 -161685.7978 -109381.7974 298.4714 -124.0437 -94.9631 760884.4891 0.6203 0.8670 PRESSURE: 2902200 97.8111 6.13571 33.5433 6.13523 55.0966 -214.43 33.5427 -214.428 -100.008 GPRESSURE: 2902200 207.564 8.39315 70.4742 81.8754 3.78637 -143.644 26.5079 -117.266 -56.4144 PRESSAVG: 2902200 53.7946 -18.4355 11.7906 -18.4356 -52.2608 47.023 11.7907 47.0229 16.8814 GPRESSAVG: 2902200 54.9043 -18.4398 9.13791 -18.1103 -53.8685 47.6446 13.4424 49.0768 17.2618 TIMING: 2902200 CPU: 9241.6, 0.00314452/step Wall: 9241.6, 0.00314452/step, 1.83238 hours remaining, 233.960938 MB of memory in use. ENERGY: 2902200 4033.8080 20524.3465 14477.2229 258.4060 -203694.0677 2591.0085 0.0000 0.0000 51891.8317 -109917.4441 298.2231 -161809.2758 -109565.0719 298.8307 17.6334 51.6454 761897.2056 6.1384 6.0992 PRESSURE: 2902400 -205.119 159.158 -26.6111 159.157 105.981 22.9676 -26.6125 22.9672 -47.6266 GPRESSURE: 2902400 -149.522 93.4785 -27.5472 78.44 124.551 45.2678 12.8683 -103.188 -32.073 PRESSAVG: 2902400 42.0747 -8.37701 -23.8844 -8.377 11.4438 14.1234 -23.8844 14.1234 6.86863 GPRESSAVG: 2902400 42.0769 -8.80091 -19.1005 -11.4788 11.6515 14.186 -25.2745 15.2779 6.23168 TIMING: 2902400 CPU: 9242.23, 0.00313694/step Wall: 9242.23, 0.00313694/step, 1.82779 hours remaining, 233.960938 MB of memory in use. ENERGY: 2902400 3941.7208 20402.0502 14484.0169 250.5706 -203258.4826 2270.0185 0.0000 0.0000 52182.1587 -109727.9469 299.8916 -161910.1056 -109356.8990 299.0528 -48.9213 -19.0146 762010.5982 20.1290 19.9867 PRESSURE: 2902600 277.867 -192.115 266.999 -192.115 142.228 73.5529 266.998 73.5524 168.818 GPRESSURE: 2902600 308.776 -180.421 270.625 -135.508 137.821 121.226 394.385 -11.8635 216.439 PRESSAVG: 2902600 -37.1324 12.5306 2.03964 12.5307 3.61373 -6.04104 2.03959 -6.04105 0.483691 GPRESSAVG: 2902600 -38.7519 10.6927 1.21432 13.7805 4.26934 -8.15306 2.96053 -7.48252 1.35788 TIMING: 2902600 CPU: 9242.86, 0.00315869/step Wall: 9242.86, 0.00315869/step, 1.84029 hours remaining, 233.960938 MB of memory in use. ENERGY: 2902600 3935.2430 20413.4396 14428.2320 252.6101 -203607.4805 2499.0733 0.0000 0.0000 52057.3787 -110021.5037 299.1745 -162078.8825 -109648.9921 298.1103 196.3040 221.0120 759740.1710 -11.0117 -11.0416 PRESSURE: 2902800 -101.33 -91.2698 -86.1235 -91.2695 -176.04 -218.938 -86.1228 -218.938 -379.064 GPRESSURE: 2902800 5.63664 -28.4825 -91.0598 -65.7147 -282.511 -318.035 -49.197 -89.9633 -297.995 PRESSAVG: 2902800 18.5629 -1.42733 32.7163 -1.42729 -0.0601745 -20.8894 32.7163 -20.8894 -4.96932 GPRESSAVG: 2902800 18.1098 1.85514 32.9963 -1.45162 -0.925231 -18.2264 32.7895 -19.7845 -4.03256 TIMING: 2902800 CPU: 9243.49, 0.00315281/step Wall: 9243.49, 0.00315281/step, 1.83669 hours remaining, 233.960938 MB of memory in use. ENERGY: 2902800 4062.8542 20450.1424 14384.7869 235.6868 -203879.0853 2660.5043 0.0000 0.0000 52178.7810 -109906.3297 299.8722 -162085.1107 -109540.1660 298.4343 -218.8113 -191.6230 760543.8356 4.5111 4.3840 PRESSURE: 2903000 -420.319 -7.53893 -77.219 -7.53857 -434.791 17.8352 -77.2194 17.8356 -337.875 GPRESSURE: 2903000 -393.69 -96.6305 -40.198 115.363 -420.804 38.2474 27.935 -19.1269 -293.092 PRESSAVG: 2903000 -0.195255 -54.2759 13.339 -54.2759 24.1748 30.4251 13.339 30.4252 -20.7162 GPRESSAVG: 2903000 0.571201 -54.6181 11.5565 -55.2996 23.9037 27.8123 14.0589 30.4504 -20.9506 TIMING: 2903000 CPU: 9244.12, 0.00313781/step Wall: 9244.12, 0.00313781/step, 1.82777 hours remaining, 233.960938 MB of memory in use. ENERGY: 2903000 4071.0389 20470.9354 14434.7220 259.8478 -202908.1759 1913.5959 0.0000 0.0000 52034.8723 -109723.1637 299.0451 -161758.0359 -109356.5383 298.9038 -397.6618 -369.1957 761403.3349 1.0878 1.1748 PRESSURE: 2903200 -247.656 -24.409 157.997 -24.4092 155.625 7.67954 157.997 7.67967 -258.285 GPRESSURE: 2903200 -92.9709 -76.1486 170.838 -60.3952 146.242 -117.395 33.8997 43.7052 -309.599 PRESSAVG: 2903200 -18.9595 -28.7897 57.0622 -28.7897 20.5042 5.47075 57.0622 5.47084 20.9741 GPRESSAVG: 2903200 -18.2538 -28.0128 57.4796 -28.7052 20.1392 6.3402 56.5375 4.12015 21.3821 TIMING: 2903200 CPU: 9244.74, 0.00311535/step Wall: 9244.74, 0.00311535/step, 1.81452 hours remaining, 233.960938 MB of memory in use. ENERGY: 2903200 4001.3612 20712.9756 14443.1988 242.5483 -203172.9096 2259.7323 0.0000 0.0000 51920.8946 -109592.1988 298.3901 -161513.0934 -109225.5621 299.4190 -116.7723 -85.4429 760485.0321 7.5063 7.7558 PRESSURE: 2903400 258.758 114.715 4.88511 114.715 77.0568 281.152 4.88481 281.152 -120.78 GPRESSURE: 2903400 284.742 141.096 -39.739 101.358 128.914 254.577 -8.83614 402.633 -122.635 PRESSAVG: 2903400 -13.1853 5.95383 18.9188 5.95384 -22.3628 -33.0619 18.9188 -33.0619 -9.128 GPRESSAVG: 2903400 -15.1418 4.71509 18.7413 7.78321 -20.3024 -32.4517 16.9874 -30.772 -8.93271 TIMING: 2903400 CPU: 9245.37, 0.00313938/step Wall: 9245.37, 0.00313938/step, 1.82834 hours remaining, 233.960938 MB of memory in use. ENERGY: 2903400 4010.0176 20487.4655 14430.5618 261.7453 -203193.2010 2199.4383 0.0000 0.0000 52142.5189 -109661.4536 299.6638 -161803.9725 -109297.0064 299.2146 71.6783 97.0070 759342.8296 -14.8920 -14.7923 PRESSURE: 2903600 -259.784 -208.856 3.69622 -208.858 -121.715 138.183 3.6966 138.184 -184.742 GPRESSURE: 2903600 -222.043 -249.385 33.2008 -126.251 -189.386 121.507 52.6963 52.6419 -77.6741 PRESSAVG: 2903600 -2.38795 -42.0666 46.4248 -42.0666 12.0915 28.31 46.4248 28.3099 -4.68168 GPRESSAVG: 2903600 -1.54593 -42.6518 45.355 -42.1448 12.0107 27.6636 48.5758 26.7534 -4.97886 TIMING: 2903600 CPU: 9245.99, 0.00313645/step Wall: 9245.99, 0.00313645/step, 1.82646 hours remaining, 233.960938 MB of memory in use. ENERGY: 2903600 3911.0505 20690.8158 14530.6224 243.9101 -202850.3822 2059.1806 0.0000 0.0000 51895.3591 -109519.4437 298.2433 -161414.8028 -109160.3690 298.9231 -188.7469 -163.0344 761475.4598 1.6740 1.8286 PRESSURE: 2903800 22.8688 -128.637 -81.0579 -128.638 487.413 -295.318 -81.0577 -295.318 -159.65 GPRESSURE: 2903800 41.4666 -80.0098 -37.9545 -159.107 464.876 -254.261 -15.9889 -167.987 -75.0285 PRESSAVG: 2903800 -11.3768 16.5471 15.9684 16.5471 3.28298 -11.2546 15.9684 -11.2545 3.6634 GPRESSAVG: 2903800 -10.8591 17.4583 15.9825 17.0141 2.0513 -9.49257 16.1222 -10.7499 4.42587 TIMING: 2903800 CPU: 9246.62, 0.00313586/step Wall: 9246.62, 0.00313586/step, 1.82594 hours remaining, 233.960938 MB of memory in use. ENERGY: 2903800 3938.2614 20581.4689 14503.6487 246.1057 -203617.5052 2577.7691 0.0000 0.0000 52251.2310 -109519.0205 300.2885 -161770.2514 -109146.3500 299.5529 116.8772 143.7712 760129.2992 -1.4768 -1.4606 PRESSURE: 2904000 105.014 -394.914 -82.0484 -394.915 124.354 65.565 -82.0487 65.5641 -155.976 GPRESSURE: 2904000 86.4495 -344.948 -120.47 -473.428 180.545 54.2657 3.82084 -104.151 -91.0308 PRESSAVG: 2904000 17.6433 4.83888 -52.0343 4.8389 -37.8615 -9.38052 -52.0343 -9.38056 -0.554755 GPRESSAVG: 2904000 16.9207 6.24526 -51.6351 2.22051 -36.4108 -8.76921 -53.1515 -11.0981 -0.843422 TIMING: 2904000 CPU: 9247.25, 0.00314853/step Wall: 9247.25, 0.00314853/step, 1.83314 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2904000 4071.2020 20586.2732 14495.0422 251.8059 -203844.2774 2934.4185 0.0000 0.0000 51877.8494 -109627.6862 298.1427 -161505.5356 -109269.2084 299.3520 24.4641 58.6547 759321.1961 -6.9243 -6.7778 PRESSURE: 2904200 101.305 -11.4443 144.197 -11.4444 136.68 143.558 144.196 143.558 567.95 GPRESSURE: 2904200 35.1577 -78.2279 186.982 35.7917 261.818 164.855 85.6657 192.029 605.204 PRESSAVG: 2904200 31.8035 -35.407 -37.5599 -35.407 -14.0342 -54.2574 -37.5599 -54.2574 6.42764 GPRESSAVG: 2904200 31.0871 -39.815 -36.0534 -31.7829 -13.5924 -55.9759 -37.5426 -53.4078 6.37342 TIMING: 2904200 CPU: 9247.88, 0.00316047/step Wall: 9247.88, 0.00316047/step, 1.83992 hours remaining, 233.960938 MB of memory in use. ENERGY: 2904200 3884.7255 20507.1152 14507.9099 235.9609 -203982.3631 2915.6617 0.0000 0.0000 52167.2880 -109763.7019 299.8061 -161930.9899 -109386.4539 299.0178 268.6452 300.7267 761422.6008 8.0656 7.9561 LDB: ============= START OF LOAD BALANCING ============== 9260.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9260.31 LDB: =============== DONE WITH MIGRATION ================ 9260.31 LDB: ============= START OF LOAD BALANCING ============== 9260.63 LDB: Largest compute 7034 load 0.031651 is 16.2% of average load 0.195511 LDB: Average compute 0.004374 is 2.2% of average load 0.195511 LDB: TIME 9260.63 LOAD: AVG 0.195511 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.891 MB LDB: TIME 9260.63 LOAD: AVG 0.195511 MAX 0.215619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: TIME 9260.63 LOAD: AVG 0.195511 MAX 0.215619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: ============== END OF LOAD BALANCING =============== 9260.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9260.64 PRESSURE: 2904400 -165.084 -142.626 30.3618 -142.626 -425.066 -264.183 30.3614 -264.184 -52.0889 GPRESSURE: 2904400 -116.019 -113.921 7.70626 -173.905 -422.632 -306.182 158.377 -114.947 -14.2582 PRESSAVG: 2904400 33.6367 -56.4229 -19.0478 -56.4229 -27.8269 -11.606 -19.0478 -11.606 -17.1535 GPRESSAVG: 2904400 34.8871 -53.7158 -20.3917 -57.6051 -28.8315 -11.0687 -18.412 -11.3039 -16.847 TIMING: 2904400 CPU: 9248.53, 0.00323246/step Wall: 9248.53, 0.00323246/step, 1.88165 hours remaining, 233.421875 MB of memory in use. ENERGY: 2904400 3857.6474 20558.7516 14490.2401 240.5584 -203405.0676 2522.5245 0.0000 0.0000 51960.5697 -109774.7758 298.6181 -161735.3455 -109404.7580 298.5066 -214.0794 -184.3028 762015.3297 -3.7812 -3.5971 PRESSURE: 2904600 -150.592 -132.64 -81.8398 -132.64 -234.314 -34.9689 -81.8389 -34.969 -333.139 GPRESSURE: 2904600 -60.0291 -187.088 -63.8899 -68.424 -158.947 -108.768 -29.7995 107.616 -401.257 PRESSAVG: 2904600 53.7445 -38.8824 -41.2038 -38.8824 -50.4062 -61.235 -41.2038 -61.235 29.8361 GPRESSAVG: 2904600 53.5589 -40.4256 -40.5976 -38.4654 -49.4158 -62.0971 -41.9027 -62.5288 28.6846 TIMING: 2904600 CPU: 9249.16, 0.0031454/step Wall: 9249.16, 0.0031454/step, 1.8308 hours remaining, 233.421875 MB of memory in use. ENERGY: 2904600 3924.2712 20324.8882 14440.4295 247.9193 -203287.3581 2496.0849 0.0000 0.0000 52053.4346 -109800.3304 299.1518 -161853.7650 -109431.3096 299.0138 -239.3485 -206.7444 762130.0587 11.0581 10.9425 PRESSURE: 2904800 71.88 152.156 -70.3663 152.155 -89.2918 112.751 -70.367 112.751 200.816 GPRESSURE: 2904800 93.763 234.351 -128.622 168.838 -59.6685 43.8901 -3.55709 5.59724 214.594 PRESSAVG: 2904800 46.0719 29.2791 -18.9063 29.2791 -15.0362 -27.6155 -18.9064 -27.6155 -0.694037 GPRESSAVG: 2904800 45.3815 31.2359 -18.7051 29.8326 -14.244 -27.5095 -18.7833 -25.3219 -0.900841 TIMING: 2904800 CPU: 9249.79, 0.0031406/step Wall: 9249.79, 0.0031406/step, 1.82783 hours remaining, 233.421875 MB of memory in use. ENERGY: 2904800 4031.0606 20405.9617 14547.2037 247.5183 -203483.1936 2544.0694 0.0000 0.0000 52143.4036 -109563.9762 299.6689 -161707.3798 -109208.3993 298.6658 61.1348 82.8960 761292.6542 10.1139 10.0789 PRESSURE: 2905000 -320.731 -334.959 -39.6937 -334.96 -222.681 -222.954 -39.6936 -222.954 -281.007 GPRESSURE: 2905000 -211.458 -286.962 -19.7569 -239.404 -297.083 -177.296 -15.103 -233.062 -264.205 PRESSAVG: 2905000 -0.538629 -19.5482 -30.7058 -19.5483 -44.7152 -5.14105 -30.7058 -5.14105 -18.0307 GPRESSAVG: 2905000 -0.411875 -18.0427 -33.0456 -19.3754 -46.2845 -4.86886 -28.3144 -4.86304 -17.262 TIMING: 2905000 CPU: 9250.42, 0.00315177/step Wall: 9250.42, 0.00315177/step, 1.83416 hours remaining, 233.421875 MB of memory in use. ENERGY: 2905000 4020.3281 20604.0563 14425.6363 247.5645 -202978.4804 2227.6114 0.0000 0.0000 51752.3103 -109700.9735 297.4212 -161453.2838 -109342.1473 298.6318 -274.8064 -257.5817 762296.6626 -21.0949 -21.3195 PRESSURE: 2905200 131.823 -30.3363 146.808 -30.3364 -502.767 -74.032 146.807 -74.0318 53.9664 GPRESSURE: 2905200 75.4287 -92.4924 95.2748 -56.5493 -463.406 -22.6822 100.417 -140.818 148.558 PRESSAVG: 2905200 46.0364 -35.0981 -30.263 -35.0981 -51.1411 26.646 -30.2629 26.6459 4.98893 GPRESSAVG: 2905200 45.7526 -36.3436 -27.1569 -36.7542 -51.2189 26.1443 -33.6297 25.213 5.18834 TIMING: 2905200 CPU: 9251.05, 0.0031396/step Wall: 9251.05, 0.0031396/step, 1.8269 hours remaining, 233.421875 MB of memory in use. ENERGY: 2905200 3979.7238 20715.4116 14502.0566 248.5786 -203613.3516 2670.1582 0.0000 0.0000 51815.2107 -109682.2120 297.7827 -161497.4227 -109329.3474 299.1354 -105.6590 -79.8065 760744.3410 -0.0386 -0.0926 PRESSURE: 2905400 -87.1334 -67.1589 154.516 -67.159 -60.121 141.024 154.516 141.024 -103.005 GPRESSURE: 2905400 -78.3411 -158.13 122.747 -115.841 -31.4023 79.943 163.272 309.721 -45.6498 PRESSAVG: 2905400 24.5115 -66.5267 -38.2697 -66.5268 -25.3272 2.50561 -38.2697 2.50555 -6.21677 GPRESSAVG: 2905400 23.9112 -65.6322 -40.5102 -66.1821 -24.3173 1.95492 -36.6549 2.32718 -6.31429 TIMING: 2905400 CPU: 9251.67, 0.00311516/step Wall: 9251.67, 0.00311516/step, 1.8125 hours remaining, 233.421875 MB of memory in use. ENERGY: 2905400 3931.6504 20399.0640 14555.1265 236.2474 -202985.0567 2133.4802 0.0000 0.0000 52210.7267 -109518.7615 300.0558 -161729.4881 -109142.1830 299.0709 -83.4198 -51.7978 759018.1969 -2.3442 -2.2401 PRESSURE: 2905600 -70.2053 200.198 -17.8803 200.199 -0.405974 -158.811 -17.88 -158.81 36.9178 GPRESSURE: 2905600 20.8207 109.371 53.2908 152.036 0.122899 -176.357 -66.1569 -7.16375 45.4494 PRESSAVG: 2905600 22.1178 -3.23634 6.01331 -3.23638 -39.3942 4.01991 6.01327 4.01981 26.2418 GPRESSAVG: 2905600 23.7068 -3.49596 6.4456 -3.25606 -39.5833 5.22851 5.18291 6.20466 25.4317 TIMING: 2905600 CPU: 9252.3, 0.00313175/step Wall: 9252.3, 0.00313176/step, 1.82199 hours remaining, 233.421875 MB of memory in use. ENERGY: 2905600 3982.5169 20413.1066 14483.9189 249.8025 -202803.5851 2147.3517 0.0000 0.0000 52210.2556 -109316.6329 300.0531 -161526.8885 -108942.7594 299.6164 -11.2311 22.1310 759965.0687 2.9885 3.1851 PRESSURE: 2905800 -258.83 119.817 142.686 119.816 -359.854 61.1678 142.686 61.1688 -312.805 GPRESSURE: 2905800 -230.364 102.366 222.821 112.559 -361.884 19.8576 59.131 0.127348 -296.695 PRESSAVG: 2905800 47.5778 -33.5804 3.38584 -33.5804 30.7527 14.4103 3.38587 14.4101 -22.641 GPRESSAVG: 2905800 48.1889 -33.6421 3.16223 -33.6119 29.7145 15.0315 2.3301 12.4706 -22.399 TIMING: 2905800 CPU: 9252.92, 0.00311932/step Wall: 9252.92, 0.00311932/step, 1.81458 hours remaining, 233.421875 MB of memory in use. ENERGY: 2905800 3967.6295 20379.4500 14429.2619 229.2297 -202945.2538 2284.4642 0.0000 0.0000 52193.9700 -109461.2485 299.9595 -161655.2185 -109094.7622 299.7682 -310.4964 -296.3144 761689.9820 18.5632 18.5014 PRESSURE: 2906000 -342.891 22.4372 -319.465 22.4381 -118.062 181.615 -319.466 181.615 156.079 GPRESSURE: 2906000 -325.256 81.9002 -288.339 48.8509 -22.8732 185.201 -294.07 7.2128 124.655 PRESSAVG: 2906000 27.8731 -12.5461 53.8272 -12.5461 -57.7651 34.6816 53.8272 34.6815 10.9581 GPRESSAVG: 2906000 26.3868 -12.6347 54.4434 -10.6882 -57.0432 35.2073 55.5797 34.6163 11.0515 TIMING: 2906000 CPU: 9253.54, 0.00311911/step Wall: 9253.54, 0.00311911/step, 1.81428 hours remaining, 233.421875 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: 2906000 3978.9944 20516.2650 14439.9041 231.5809 -202589.8722 2048.6367 0.0000 0.0000 51916.1960 -109458.2952 298.3631 -161374.4912 -109097.9684 299.3183 -101.6246 -74.4916 762006.7590 -6.3113 -6.5349 PRESSURE: 2906200 329.818 36.5154 81.5266 36.5162 159.192 77.632 81.5271 77.6326 -53.1151 GPRESSURE: 2906200 162.771 13.3673 138.996 -35.8664 390.304 127.549 -49.4544 -34.1954 -32.0412 PRESSAVG: 2906200 10.3323 32.2192 20.0106 32.2192 7.99654 -3.01692 20.0106 -3.017 1.62536 GPRESSAVG: 2906200 9.28098 32.3615 19.408 31.3807 9.40098 -3.62474 21.0367 -4.029 1.89231 TIMING: 2906200 CPU: 9254.17, 0.00312765/step Wall: 9254.17, 0.00312765/step, 1.81907 hours remaining, 233.421875 MB of memory in use. ENERGY: 2906200 4011.8417 20419.6436 14472.2308 251.7512 -203478.5334 2726.8218 0.0000 0.0000 52432.8073 -109163.4370 301.3321 -161596.2443 -108797.9961 299.8723 145.2983 173.6782 761220.8604 6.6514 6.8581 PRESSURE: 2906400 180.742 128.176 38.4815 128.176 23.2737 20.7172 38.4822 20.7178 -402.408 GPRESSURE: 2906400 268.021 175.769 25.3632 90.2659 -8.65144 12.6909 13.0742 7.72808 -378.697 PRESSAVG: 2906400 33.5687 -23.0671 -42.6153 -23.0671 -29.5616 -20.1807 -42.6153 -20.1807 -9.95091 GPRESSAVG: 2906400 32.8957 -24.3974 -42.3425 -21.0555 -28.9462 -20.213 -40.593 -18.896 -9.86008 TIMING: 2906400 CPU: 9254.79, 0.00313015/step Wall: 9254.79, 0.00313015/step, 1.82036 hours remaining, 233.421875 MB of memory in use. ENERGY: 2906400 4032.0707 20430.0030 14451.3401 253.1625 -202977.5842 2430.1127 0.0000 0.0000 52025.0625 -109355.8327 298.9887 -161380.8952 -108977.0380 299.5065 -66.1306 -39.7757 761011.5017 -1.9813 -1.9702 PRESSURE: 2906600 -360.838 51.4358 -120.196 51.4359 -152.763 119.656 -120.195 119.654 -101.085 GPRESSURE: 2906600 -236.289 -27.0608 -134.73 87.1674 -133.414 63.6016 -5.33941 136.752 -161.231 PRESSAVG: 2906600 11.4452 9.68367 -2.57478 9.68371 -76.5979 21.3387 -2.57474 21.3387 16.8963 GPRESSAVG: 2906600 12.565 8.79966 -3.43956 7.25246 -78.0559 21.6784 -4.68263 22.3443 16.9284 TIMING: 2906600 CPU: 9255.42, 0.00313777/step Wall: 9255.42, 0.00313777/step, 1.82461 hours remaining, 233.421875 MB of memory in use. ENERGY: 2906600 4049.8840 20567.3512 14473.0475 238.7833 -203384.6035 2638.9689 0.0000 0.0000 52055.8772 -109360.6916 299.1658 -161416.5688 -109015.0381 299.5977 -204.8953 -176.9782 762378.7561 -16.0855 -16.1875 PRESSURE: 2906800 -54.6298 107.949 11.1971 107.948 -17.2072 -23.0436 11.1958 -23.0438 -303.1 GPRESSURE: 2906800 -24.8086 107.603 -48.4674 207.154 23.9018 -46.5201 54.0897 -156.457 -273.95 PRESSAVG: 2906800 25.8397 78.8999 9.86588 78.8999 -40.7731 8.62792 9.86583 8.62787 -16.609 GPRESSAVG: 2906800 25.9931 79.9625 11.2886 79.4235 -40.6513 8.4208 9.20515 5.4814 -17.0888 TIMING: 2906800 CPU: 9256.05, 0.00315957/step Wall: 9256.05, 0.00315957/step, 1.83711 hours remaining, 233.421875 MB of memory in use. ENERGY: 2906800 4078.2725 20342.0596 14459.7039 245.4812 -203050.7724 2487.0874 0.0000 0.0000 52262.6077 -109175.5600 300.3539 -161438.1677 -108821.8647 299.8414 -124.9789 -91.6191 762701.3451 -10.5141 -10.5824 PRESSURE: 2907000 -166.265 107.21 -160.259 107.21 100.57 -141.397 -160.258 -141.397 91.16 GPRESSURE: 2907000 -81.1102 116.232 -133.23 121.285 74.0847 -69.1842 -181.087 -55.2098 137.349 PRESSAVG: 2907000 56.3247 35.4028 22.9881 35.4028 -50.579 -2.72784 22.9881 -2.72777 22.8383 GPRESSAVG: 2907000 56.0438 33.6464 22.7033 35.349 -50.4895 -1.70836 23.7146 -1.37243 23.0707 TIMING: 2907000 CPU: 9256.68, 0.00312928/step Wall: 9256.68, 0.00312928/step, 1.81933 hours remaining, 233.421875 MB of memory in use. ENERGY: 2907000 4019.6049 20540.6536 14448.1472 271.0734 -203146.7430 2622.8666 0.0000 0.0000 52089.1018 -109155.2954 299.3568 -161244.3972 -108801.0888 300.0490 8.4882 43.4412 762723.0029 9.5280 9.5417 PRESSURE: 2907200 95.9602 71.8151 -106.253 71.8143 -229.878 -27.2443 -106.253 -27.2438 427.15 GPRESSURE: 2907200 100.111 -55.2831 -107.373 105.031 -162.161 -125.245 -114.249 -101.707 434.697 PRESSAVG: 2907200 -2.72625 19.0179 -35.4924 19.0179 -10.1865 -55.0818 -35.4922 -55.0818 18.7335 GPRESSAVG: 2907200 -1.75206 20.3046 -35.4138 19.3901 -11.1672 -54.0149 -36.0724 -54.4746 18.8387 TIMING: 2907200 CPU: 9257.3, 0.00311754/step Wall: 9257.3, 0.00311754/step, 1.81233 hours remaining, 233.421875 MB of memory in use. ENERGY: 2907200 4081.4185 20416.1019 14477.0562 241.6517 -203454.9400 2684.1157 0.0000 0.0000 52508.6310 -109045.9650 301.7678 -161554.5961 -108682.8162 300.2402 97.7442 124.2158 760954.8133 1.9403 1.9731 PRESSURE: 2907400 -68.652 -111.302 -54.5481 -111.302 331.37 -317.07 -54.5478 -317.07 60.0063 GPRESSURE: 2907400 -43.5832 -12.8427 -45.3733 -150.895 387.155 -221.517 -135.744 -163.376 66.4829 PRESSAVG: 2907400 67.7772 15.9041 36.5309 15.9041 -42.082 -23.6737 36.5309 -23.6738 11.6486 GPRESSAVG: 2907400 66.0724 16.0128 36.4635 15.5819 -41.1992 -26.3535 36.137 -23.8342 12.6332 TIMING: 2907400 CPU: 9257.93, 0.00312817/step Wall: 9257.93, 0.00312817/step, 1.81834 hours remaining, 233.421875 MB of memory in use. ENERGY: 2907400 3994.4784 20389.3456 14538.2707 241.0025 -203091.3916 2248.1210 0.0000 0.0000 52327.7393 -109352.4341 300.7282 -161680.1735 -108996.7596 300.0282 107.5747 136.6850 759928.5387 12.4479 12.5022 PRESSURE: 2907600 70.9269 82.2515 162.084 82.2511 -194.5 187.31 162.083 187.31 55.032 GPRESSURE: 2907600 54.9241 -5.24974 86.6951 77.387 -163.269 199.988 93.5557 71.6417 121.179 PRESSAVG: 2907600 24.2337 -19.1921 45.2043 -19.1921 -42.7293 -27.0159 45.2043 -27.0158 13.6324 GPRESSAVG: 2907600 25.2057 -19.7489 44.7858 -17.7547 -42.885 -26.0437 46.2695 -28.9794 12.987 TIMING: 2907600 CPU: 9258.56, 0.00313332/step Wall: 9258.56, 0.00313332/step, 1.82116 hours remaining, 233.421875 MB of memory in use. ENERGY: 2907600 3936.0337 20645.0316 14460.8751 251.3305 -203076.2730 2525.8735 0.0000 0.0000 51942.3075 -109314.8211 298.5132 -161257.1286 -108954.2060 299.5731 -22.8470 4.2783 762025.3811 -1.6211 -1.5641 PRESSURE: 2907800 222.906 99.1876 -41.0662 99.1885 197.564 13.4927 -41.0656 13.4926 43.7243 GPRESSURE: 2907800 280.157 108.499 -103.938 47.4102 179.808 -28.7157 1.61125 16.8498 103.724 PRESSAVG: 2907800 -14.4104 0.561909 19.2005 0.561969 6.23036 26.7662 19.2005 26.7662 -2.52721 GPRESSAVG: 2907800 -14.6132 2.33372 19.491 -2.68347 5.60322 26.7401 17.8367 27.3989 -1.88044 TIMING: 2907800 CPU: 9259.18, 0.00313118/step Wall: 9259.18, 0.00313118/step, 1.81974 hours remaining, 233.421875 MB of memory in use. ENERGY: 2907800 3961.6873 20454.5733 14442.1181 250.2820 -203751.0230 2788.7001 0.0000 0.0000 52313.3247 -109540.3375 300.6454 -161853.6622 -109181.3012 299.7690 154.7314 187.8966 760919.0941 -3.5691 -3.6301 PRESSURE: 2908000 -171.106 16.1788 84.1887 16.1791 -272.313 20.1635 84.1892 20.1631 -63.4741 GPRESSURE: 2908000 -160.365 -4.23482 113.22 63.3744 -216.531 33.3127 35.0933 -8.09815 -11.5244 PRESSAVG: 2908000 -4.68472 -5.80721 9.21312 -5.80721 17.0766 -0.328953 9.21318 -0.328933 -9.37392 GPRESSAVG: 2908000 -4.92645 -5.93396 9.62151 -4.5687 16.7027 -0.196314 10.5781 -0.810247 -9.01775 TIMING: 2908000 CPU: 9259.81, 0.00312991/step Wall: 9259.81, 0.00312991/step, 1.81883 hours remaining, 233.421875 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: 2908000 3892.6846 20453.7726 14475.4180 261.8683 -203246.2660 2387.1564 0.0000 0.0000 52183.3185 -109592.0475 299.8982 -161775.3661 -109232.4503 299.6683 -168.9644 -129.4734 760932.1030 1.0060 0.9195 PRESSURE: 2908200 65.7867 -20.5283 142.214 -20.5283 -251.6 27.346 142.216 27.346 188.69 GPRESSURE: 2908200 72.9547 61.1457 185.352 -91.9114 -200.454 -20.3332 69.9172 82.8521 217.962 PRESSAVG: 2908200 51.3467 -57.7085 20.694 -57.7084 -52.1228 -9.9839 20.694 -9.98397 1.20899 GPRESSAVG: 2908200 49.6742 -58.7815 21.2087 -57.7835 -50.3398 -9.20765 21.1416 -10.2714 0.739596 TIMING: 2908200 CPU: 9260.43, 0.00312848/step Wall: 9260.43, 0.00312848/step, 1.81782 hours remaining, 233.421875 MB of memory in use. ENERGY: 2908200 3888.0706 20416.3430 14449.0427 249.5591 -203054.2396 2356.6823 0.0000 0.0000 52086.2928 -109608.2492 299.3406 -161694.5420 -109245.7492 299.1083 0.9588 30.1542 761163.8343 0.1443 0.0247 LDB: ============= START OF LOAD BALANCING ============== 9272.85 LDB: ============== END OF LOAD BALANCING =============== 9272.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9272.85 LDB: ============= START OF LOAD BALANCING ============== 9273.17 LDB: Largest compute 7025 load 0.031214 is 16.0% of average load 0.195471 LDB: Average compute 0.004384 is 2.2% of average load 0.195471 LDB: TIME 9273.17 LOAD: AVG 0.195471 MAX 0.219216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.477 MB LDB: TIME 9273.17 LOAD: AVG 0.195471 MAX 0.219216 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.547 MB LDB: TIME 9273.17 LOAD: AVG 0.195471 MAX 0.214788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.547 MB LDB: ============== END OF LOAD BALANCING =============== 9273.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9273.18 PRESSURE: 2908400 231.449 119.296 17.1696 119.296 236.066 -141.015 17.1693 -141.014 395.098 GPRESSURE: 2908400 276.332 134.86 68.529 111.402 275.788 -128.567 25.3098 -211.921 384.697 PRESSAVG: 2908400 24.8354 30.5487 8.40734 30.5487 -10.9622 8.63009 8.40739 8.63013 12.8696 GPRESSAVG: 2908400 27.3337 30.5421 6.05436 31.1108 -12.6416 7.77117 8.67134 7.8898 12.6237 TIMING: 2908400 CPU: 9261.07, 0.00319848/step Wall: 9261.07, 0.00319848/step, 1.85832 hours remaining, 234.187500 MB of memory in use. ENERGY: 2908400 3969.5660 20450.3658 14457.6226 244.2727 -202938.7519 2311.4537 0.0000 0.0000 52104.5978 -109400.8733 299.4458 -161505.4711 -109026.5664 299.4638 287.5377 312.2725 760631.3101 8.9143 9.1053 PRESSURE: 2908600 -64.3453 -2.82982 -163.95 -2.8297 -72.6875 -198.982 -163.95 -198.983 416.386 GPRESSURE: 2908600 -18.7428 9.40611 -190.134 -16.8016 -47.0213 -113.02 -36.4697 -69.9576 437.242 PRESSAVG: 2908600 -49.7997 -6.1959 53.3639 -6.1959 64.9685 48.3502 53.3639 48.3502 -30.0788 GPRESSAVG: 2908600 -50.4814 -4.58558 55.8529 -8.22533 66.2528 47.5808 53.6449 48.6455 -30.1041 TIMING: 2908600 CPU: 9261.7, 0.00313409/step Wall: 9261.7, 0.00313409/step, 1.82073 hours remaining, 234.328125 MB of memory in use. ENERGY: 2908600 4025.1797 20493.7829 14498.6350 253.5415 -203725.4264 2862.4660 0.0000 0.0000 52257.5118 -109334.3096 300.3246 -161591.8213 -108975.9413 300.1726 93.1178 123.8259 761274.4462 -4.9700 -4.7776 PRESSURE: 2908800 -189.203 18.7708 46.8074 18.7714 -5.63308 21.5502 46.8079 21.5493 59.059 GPRESSURE: 2908800 -187.304 42.44 15.8401 90.4127 40.309 52.6366 -66.3364 -49.2163 92.6316 PRESSAVG: 2908800 26.5535 8.9586 38.7729 8.95861 -29.7994 -35.3964 38.7729 -35.3963 14.3841 GPRESSAVG: 2908800 26.4583 7.51136 37.9162 11.6416 -29.28 -34.1669 35.6152 -33.5632 14.3472 TIMING: 2908800 CPU: 9262.33, 0.00315459/step Wall: 9262.33, 0.00315459/step, 1.83247 hours remaining, 234.328125 MB of memory in use. ENERGY: 2908800 3960.0551 20457.5802 14491.7771 258.5935 -203359.7265 2678.6049 0.0000 0.0000 52174.6261 -109338.4895 299.8483 -161513.1156 -108973.4010 299.9232 -45.2591 -18.1210 762381.6666 3.7127 3.8418 PRESSURE: 2909000 261.102 16.9607 337.093 16.9618 128.675 325.442 337.092 325.441 64.3774 GPRESSURE: 2909000 228.269 36.1944 388.514 38.6538 203.21 224.617 345.296 402.155 79.2663 PRESSAVG: 2909000 -48.9352 29.6461 76.8733 29.6462 36.7686 2.89919 76.8734 2.89919 -10.1025 GPRESSAVG: 2909000 -48.0839 29.6567 77.0807 29.5006 36.4117 2.23304 77.8876 1.35196 -11.2495 TIMING: 2909000 CPU: 9262.96, 0.00313837/step Wall: 9262.96, 0.00313837/step, 1.82287 hours remaining, 234.328125 MB of memory in use. ENERGY: 2909000 3948.5029 20542.4620 14473.9886 261.9170 -203313.5422 2400.8677 0.0000 0.0000 52059.9086 -109625.8954 299.1890 -161685.8041 -109266.4470 299.8197 151.3849 170.2482 761141.1972 -7.4230 -7.6406 PRESSURE: 2909200 -389.095 -175.349 233.532 -175.349 -449.91 -14.3782 233.532 -14.379 -275.147 GPRESSURE: 2909200 -302.801 -86.9961 189.669 -186.877 -411.163 65.3541 147.575 -86.5457 -306.996 PRESSAVG: 2909200 -44.8768 13.8444 -1.42642 13.8443 2.53508 -35.2541 -1.42639 -35.254 29.8139 GPRESSAVG: 2909200 -44.7326 15.0439 -3.22911 12.1472 1.4603 -33.2661 -0.817505 -34.4901 30.5011 TIMING: 2909200 CPU: 9263.58, 0.00312474/step Wall: 9263.58, 0.00312474/step, 1.81478 hours remaining, 234.328125 MB of memory in use. ENERGY: 2909200 3975.5711 20553.8373 14561.5066 232.2895 -203391.0617 2289.1540 0.0000 0.0000 52207.9037 -109570.7996 300.0395 -161778.7032 -109210.8352 298.9962 -371.3842 -340.3199 761092.1812 -4.1760 -4.2571 PRESSURE: 2909400 -311.505 14.4598 18.8322 14.4601 17.6949 -40.9442 18.8323 -40.944 -116.052 GPRESSURE: 2909400 -230.509 -89.7383 -40.4331 141.339 69.8954 -137.792 -91.0135 -90.486 -165.253 PRESSAVG: 2909400 8.93876 -24.8079 41.9153 -24.8078 39.1064 0.0241901 41.9153 0.0241946 -2.82318 GPRESSAVG: 2909400 8.48184 -25.8315 42.6345 -22.9413 38.6105 -1.56606 41.7385 -0.26521 -1.94398 TIMING: 2909400 CPU: 9264.21, 0.00312223/step Wall: 9264.21, 0.00312223/step, 1.81315 hours remaining, 234.328125 MB of memory in use. ENERGY: 2909400 4008.5839 20562.9919 14559.2405 234.5493 -203228.3914 2058.4322 0.0000 0.0000 52129.5815 -109675.0121 299.5894 -161804.5936 -109302.5659 299.6231 -136.6208 -108.6224 761310.5555 15.0740 15.0494 PRESSURE: 2909600 153.821 44.9532 147.438 44.9529 -171.57 -174.816 147.438 -174.816 231.551 GPRESSURE: 2909600 213.232 68.0409 148.252 73.0897 -159.682 -200.859 156.045 -20.2797 229.025 PRESSAVG: 2909600 60.4475 18.5505 28.1074 18.5505 -35.1933 15.5152 28.1075 15.5151 23.9245 GPRESSAVG: 2909600 58.8005 19.3995 28.1029 18.039 -34.226 15.9829 30.4078 16.6585 24.4607 TIMING: 2909600 CPU: 9264.83, 0.00313053/step Wall: 9264.83, 0.00313053/step, 1.81779 hours remaining, 234.328125 MB of memory in use. ENERGY: 2909600 3989.3719 20516.6613 14578.9722 238.6055 -203529.6941 2483.0395 0.0000 0.0000 52023.7660 -109699.2776 298.9813 -161723.0436 -109344.9920 299.0870 71.2675 94.1917 760285.8929 16.3929 16.3451 PRESSURE: 2909800 -297.497 -123.078 156.337 -123.078 -246.607 172.913 156.336 172.915 -204.204 GPRESSURE: 2909800 -274.545 -102.287 194.556 -144.34 -201.587 135.013 91.4423 6.37781 -181.674 PRESSAVG: 2909800 21.1771 -19.8775 71.8158 -19.8775 2.53572 -8.87247 71.8158 -8.87242 5.57851 GPRESSAVG: 2909800 23.2342 -20.3508 72.6456 -18.0742 2.13594 -8.71529 69.6287 -10.776 4.15102 TIMING: 2909800 CPU: 9265.46, 0.00311974/step Wall: 9265.46, 0.00311974/step, 1.81136 hours remaining, 234.328125 MB of memory in use. ENERGY: 2909800 3945.6589 20582.0784 14487.6849 242.3651 -203362.7248 2372.2778 0.0000 0.0000 51871.6319 -109861.0278 298.1070 -161732.6596 -109499.6783 299.2495 -249.4360 -219.2686 760919.2743 9.7638 9.8404 PRESSURE: 2910000 -126.072 -75.2971 106.977 -75.2969 -402.476 13.8834 106.977 13.8835 -59.4052 GPRESSURE: 2910000 -147.258 -24.2527 85.1404 -40.807 -368.978 89.9425 128.725 104.266 17.3659 PRESSAVG: 2910000 -32.8867 40.7462 23.1654 40.7463 15.2048 73.0674 23.1653 73.0674 -27.2 GPRESSAVG: 2910000 -33.288 40.909 21.5889 38.8269 15.5079 73.2594 21.0071 74.8879 -26.6989 TIMING: 2910000 CPU: 9266.08, 0.00313269/step Wall: 9266.08, 0.00313269/step, 1.8187 hours remaining, 234.328125 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: 2910000 4002.4886 20485.8187 14491.0594 253.0046 -203097.4004 2162.8541 0.0000 0.0000 51899.8174 -109802.3576 298.2690 -161702.1750 -109452.3592 298.9108 -195.9845 -166.2901 759609.2987 -14.9606 -14.8264 PRESSURE: 2910200 25.0264 -244.053 79.8978 -244.054 -218.675 69.2022 79.8986 69.2022 -25.8212 GPRESSURE: 2910200 -13.0058 -196.035 8.86809 -230.261 -103.99 35.1551 5.58385 -43.6483 0.106707 PRESSAVG: 2910200 35.7181 -26.218 45.1405 -26.218 -19.9481 9.69059 45.1405 9.69059 22.4407 GPRESSAVG: 2910200 35.6384 -25.2013 46.7999 -24.9116 -20.6616 9.7747 46.4286 9.79882 23.4501 TIMING: 2910200 CPU: 9266.71, 0.00314515/step Wall: 9266.71, 0.00314515/step, 1.82576 hours remaining, 234.328125 MB of memory in use. ENERGY: 2910200 3959.3103 20479.5207 14513.9662 233.2830 -203628.4824 2514.9443 0.0000 0.0000 52052.7468 -109874.7111 299.1479 -161927.4579 -109510.1946 298.9170 -73.1566 -38.9629 760055.8404 12.7369 12.8090 PRESSURE: 2910400 -258.223 112.826 117.014 112.825 354.513 198.29 117.014 198.29 -260.21 GPRESSURE: 2910400 -49.7196 104.18 136.602 35.535 295.739 211.351 124.509 153.42 -322.154 PRESSAVG: 2910400 -28.0514 -29.4257 30.8755 -29.4258 6.50008 -25.8986 30.8755 -25.8986 -4.73011 GPRESSAVG: 2910400 -27.6523 -31.5531 30.075 -29.5374 6.56835 -24.8204 32.3327 -29.2626 -5.61687 TIMING: 2910400 CPU: 9267.34, 0.00312948/step Wall: 9267.34, 0.00312948/step, 1.81649 hours remaining, 234.328125 MB of memory in use. ENERGY: 2910400 3985.7140 20582.9944 14497.6115 230.6453 -203912.3086 2716.3662 0.0000 0.0000 52100.1342 -109798.8430 299.4202 -161898.9771 -109435.6628 298.8854 -54.6401 -25.3784 760530.8215 -8.7605 -8.9003 PRESSURE: 2910600 28.7611 121.824 -1.58895 121.824 124.058 383.759 -1.5879 383.759 95.9333 GPRESSURE: 2910600 -61.9103 138.596 -44.7708 21.1293 268.818 342.975 -33.884 415.867 128.926 PRESSAVG: 2910600 0.326166 5.35806 24.8688 5.35816 12.6277 52.7578 24.8688 52.7578 -3.81887 GPRESSAVG: 2910600 -1.20232 5.69493 24.108 5.75739 12.8303 50.6632 24.019 55.1807 -2.54732 TIMING: 2910600 CPU: 9267.96, 0.00311656/step Wall: 9267.96, 0.00311656/step, 1.80881 hours remaining, 234.328125 MB of memory in use. ENERGY: 2910600 4028.2993 20386.3198 14488.9436 243.3193 -203790.7124 2764.2748 0.0000 0.0000 52180.0516 -109699.5039 299.8795 -161879.5555 -109335.3694 298.7690 82.9174 111.9448 761683.4081 3.0450 3.0269 PRESSURE: 2910800 -4.61184 -150.218 68.6934 -150.218 -77.9587 100.193 68.6944 100.194 87.4277 GPRESSURE: 2910800 -31.5477 -144.624 -27.9106 -75.9251 85.1976 139.326 31.1904 57.9689 33.2625 PRESSAVG: 2910800 -28.1246 -23.3844 27.9038 -23.3843 26.5605 31.5631 27.9038 31.5632 11.6896 GPRESSAVG: 2910800 -27.0692 -21.7928 28.4054 -23.9886 26.3779 32.0203 27.7391 31.4027 9.96676 TIMING: 2910800 CPU: 9268.59, 0.00312392/step Wall: 9268.59, 0.00312392/step, 1.81292 hours remaining, 234.328125 MB of memory in use. ENERGY: 2910800 4031.2867 20497.7145 14434.9732 250.3210 -203531.7066 2543.0709 0.0000 0.0000 51914.1351 -109860.2052 298.3512 -161774.3403 -109499.5836 299.0334 1.6191 28.9708 761041.2068 3.3752 3.0918 PRESSURE: 2911000 -34.232 48.1812 46.0181 48.1805 185.365 -187.439 46.0189 -187.438 49.3232 GPRESSURE: 2911000 18.0776 10.5091 19.0491 -86.1497 191.211 -165.521 75.5632 -286.066 96.041 PRESSAVG: 2911000 15.6133 -53.5672 49.9221 -53.5673 3.32635 -29.3199 49.9221 -29.3199 -13.6689 GPRESSAVG: 2911000 14.8445 -53.1734 49.4882 -52.356 3.93364 -27.6665 51.2707 -30.4615 -13.2927 TIMING: 2911000 CPU: 9269.22, 0.0031465/step Wall: 9269.22, 0.0031465/step, 1.82584 hours remaining, 234.328125 MB of memory in use. ENERGY: 2911000 3965.9516 20626.4367 14410.6146 237.4862 -204098.7637 2932.2931 0.0000 0.0000 52011.7424 -109914.2391 298.9122 -161925.9815 -109558.7020 298.9995 66.8187 101.7766 759859.7055 1.7569 1.8285 PRESSURE: 2911200 105.738 -138.032 -54.7723 -138.032 -163.629 -37.7195 -54.7722 -37.7202 -350.686 GPRESSURE: 2911200 223.423 -55.2012 -135.298 28.4368 -138.056 -51.114 -5.80211 57.9018 -403.645 PRESSAVG: 2911200 37.9012 10.7297 46.2485 10.7296 28.7737 -41.2661 46.2485 -41.2661 2.61655 GPRESSAVG: 2911200 38.827 9.20203 46.2652 10.2719 28.5351 -45.3195 46.7406 -38.9749 2.41336 TIMING: 2911200 CPU: 9269.84, 0.00311904/step Wall: 9269.84, 0.00311904/step, 1.80974 hours remaining, 234.328125 MB of memory in use. ENERGY: 2911200 3931.0420 20527.1372 14436.8082 262.7033 -203216.2819 2333.8544 0.0000 0.0000 51881.9161 -109842.8207 298.1661 -161724.7367 -109482.0406 298.4390 -136.1921 -106.0926 760813.7040 23.0971 23.2585 PRESSURE: 2911400 54.0277 96.6962 42.4473 96.6965 51.0582 60.6073 42.447 60.6085 -87.7043 GPRESSURE: 2911400 140.495 -22.6127 -0.238939 186.778 35.7817 167.671 162.88 37.8203 -65.2926 PRESSAVG: 2911400 47.0419 18.8424 3.46637 18.8424 -25.2674 17.0871 3.46641 17.0872 -20.7439 GPRESSAVG: 2911400 47.0985 20.0964 4.89787 18.0015 -25.8811 20.7185 2.06558 15.659 -20.0759 TIMING: 2911400 CPU: 9270.46, 0.00311797/step Wall: 9270.46, 0.00311797/step, 1.80894 hours remaining, 234.328125 MB of memory in use. ENERGY: 2911400 4039.7612 20528.1623 14415.9654 256.5417 -203395.0312 2540.3928 0.0000 0.0000 51944.1092 -109670.0986 298.5235 -161614.2078 -109316.0081 298.9848 5.7938 36.9945 760523.1058 0.3435 0.3805 PRESSURE: 2911600 74.1543 100.536 -14.1309 100.536 -79.1746 -41.7922 -14.1297 -41.7912 8.12617 GPRESSURE: 2911600 98.9227 183.854 -1.62383 78.2256 -14.6194 -108.849 -58.5152 25.9485 9.89997 PRESSAVG: 2911600 35.824 31.9156 37.9989 31.9156 -32.7385 -14.3928 37.9989 -14.3928 -21.4901 GPRESSAVG: 2911600 35.5328 33.0206 37.1314 30.7581 -32.5296 -16.1472 36.7085 -14.3049 -22.3696 TIMING: 2911600 CPU: 9271.09, 0.00313935/step Wall: 9271.09, 0.00313935/step, 1.82117 hours remaining, 234.328125 MB of memory in use. ENERGY: 2911600 3993.7589 20462.4728 14504.9476 238.4510 -203677.5548 2691.1101 0.0000 0.0000 52096.4686 -109690.3459 299.3991 -161786.8144 -109340.8579 298.9825 1.0353 31.4011 762074.6423 -6.1348 -6.4555 PRESSURE: 2911800 6.08554 -285.242 172.554 -285.243 16.2741 119.844 172.553 119.843 -48.2638 GPRESSURE: 2911800 16.6007 -236.042 165.9 -144.081 4.13528 46.5274 171.333 17.3602 37.3542 PRESSAVG: 2911800 52.4512 -12.6384 40.8539 -12.6383 -4.65431 -65.0068 40.8539 -65.0068 7.00508 GPRESSAVG: 2911800 51.3781 -14.958 41.2 -12.2301 -4.01151 -66.0405 41.0214 -64.4141 7.11687 TIMING: 2911800 CPU: 9271.72, 0.00313479/step Wall: 9271.72, 0.00313479/step, 1.81835 hours remaining, 234.328125 MB of memory in use. ENERGY: 2911800 3983.0913 20575.3829 14465.1415 232.7095 -203916.5991 2889.4305 0.0000 0.0000 52141.9811 -109628.8622 299.6607 -161770.8433 -109272.0006 299.2388 -8.6347 19.3634 761763.1690 18.2673 18.1611 PRESSURE: 2912000 163.467 7.47329 126.554 7.47334 -109.144 -208.535 126.554 -208.535 -111.574 GPRESSURE: 2912000 177.566 -78.7496 144.519 -8.43954 -90.5589 -134.024 125.464 -272.975 -66.4356 PRESSAVG: 2912000 -18.6558 -7.04776 60.7654 -7.04775 70.6009 -42.075 60.7654 -42.0751 25.5675 GPRESSAVG: 2912000 -17.7353 -8.48256 60.9731 -8.04089 70.514 -42.0756 62.7628 -42.3746 25.604 TIMING: 2912000 CPU: 9272.35, 0.0031431/step Wall: 9272.35, 0.0031431/step, 1.823 hours remaining, 234.328125 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: 2912000 3981.8158 20664.3337 14443.3894 252.4583 -203238.2638 2517.6017 0.0000 0.0000 51692.3729 -109686.2921 297.0768 -161378.6650 -109325.5402 299.1635 -19.0835 6.8573 762614.8817 25.8375 26.1275 PRESSURE: 2912200 262.732 147.129 213.244 147.13 14.2853 49.6097 213.244 49.6099 -200.7 GPRESSURE: 2912200 244.679 183.862 166.741 57.2836 62.9319 86.2072 112.621 -42.5311 -158.879 PRESSAVG: 2912200 -6.96806 -24.2417 16.9946 -24.2418 -19.4573 -59.0322 16.9946 -59.0322 -10.2122 GPRESSAVG: 2912200 -7.19217 -22.2535 17.2968 -22.4985 -19.3121 -56.6169 17.6678 -60.2207 -9.72652 TIMING: 2912200 CPU: 9272.98, 0.00314062/step Wall: 9272.98, 0.00314062/step, 1.82138 hours remaining, 234.328125 MB of memory in use. ENERGY: 2912200 4055.4877 20566.6247 14475.2557 230.4056 -203318.4832 2289.5318 0.0000 0.0000 52329.0362 -109372.1414 300.7357 -161701.1777 -109004.2712 299.3859 25.4391 49.5772 762379.9095 -12.2125 -12.0769 LDB: ============= START OF LOAD BALANCING ============== 9285.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9285.39 LDB: =============== DONE WITH MIGRATION ================ 9285.4 LDB: ============= START OF LOAD BALANCING ============== 9285.71 LDB: Largest compute 7074 load 0.030103 is 15.4% of average load 0.195467 LDB: Average compute 0.004384 is 2.2% of average load 0.195467 LDB: TIME 9285.71 LOAD: AVG 0.195467 MAX 0.217992 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.324 MB LDB: TIME 9285.71 LOAD: AVG 0.195467 MAX 0.217992 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: TIME 9285.71 LOAD: AVG 0.195467 MAX 0.217992 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: ============== END OF LOAD BALANCING =============== 9285.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9285.72 PRESSURE: 2912400 193.607 89.0095 -113.214 89.0096 129.115 -322.426 -113.214 -322.426 199.138 GPRESSURE: 2912400 220.608 155.239 -148.114 -20.9154 164.153 -306.055 -86.3364 -283.582 245.107 PRESSAVG: 2912400 10.2546 44.4046 7.88413 44.4046 -39.8283 -48.1648 7.88418 -48.1648 -20.0539 GPRESSAVG: 2912400 9.49713 43.3957 7.43239 44.6525 -38.8297 -49.0261 4.99573 -46.1503 -20.191 TIMING: 2912400 CPU: 9273.61, 0.00318489/step Wall: 9273.61, 0.00318489/step, 1.84688 hours remaining, 234.820312 MB of memory in use. ENERGY: 2912400 3931.9790 20558.1286 14488.8582 267.4987 -203748.1755 2818.8139 0.0000 0.0000 52006.9638 -109675.9333 298.8847 -161682.8971 -109315.4536 299.1614 173.9531 209.9557 759694.1501 -16.5425 -16.5078 PRESSURE: 2912600 -11.1914 17.331 -32.348 17.3315 -206.484 -105.786 -32.3481 -105.786 -90.4754 GPRESSURE: 2912600 53.7815 1.07924 -36.2728 -15.8498 -216.119 -37.6282 -87.0402 -103.255 -55.0468 PRESSAVG: 2912600 17.9659 22.3054 25.7866 22.3053 -8.50634 -13.1307 25.7865 -13.1305 3.85918 GPRESSAVG: 2912600 19.3239 22.4034 25.5741 22.3104 -9.82755 -12.9651 26.1649 -13.8207 3.4338 TIMING: 2912600 CPU: 9274.24, 0.00315974/step Wall: 9274.24, 0.00315974/step, 1.83213 hours remaining, 234.964844 MB of memory in use. ENERGY: 2912600 3957.7171 20510.1241 14356.5619 232.2631 -203240.0287 2461.0945 0.0000 0.0000 51798.4308 -109923.8370 297.6863 -161722.2678 -109561.1422 298.7909 -102.7168 -72.4613 761303.4186 4.4396 4.3100 PRESSURE: 2912800 179.991 137.734 183.041 137.733 -143.965 264.474 183.04 264.475 -611.439 GPRESSURE: 2912800 190.136 152.464 88.9527 37.3918 -84.5069 300.831 279.692 243.981 -571.307 PRESSAVG: 2912800 52.0317 4.21235 -14.3241 4.21234 -41.5499 -16.4214 -14.3241 -16.4213 11.5094 GPRESSAVG: 2912800 51.0864 4.27521 -14.1045 3.62526 -40.9428 -17.5235 -12.114 -17.5635 11.8695 TIMING: 2912800 CPU: 9274.88, 0.00317679/step Wall: 9274.88, 0.00317679/step, 1.84183 hours remaining, 234.964844 MB of memory in use. ENERGY: 2912800 4014.7449 20434.3845 14436.5136 234.8622 -203303.1430 2425.5958 0.0000 0.0000 51986.4485 -109770.5935 298.7668 -161757.0420 -109407.0396 298.9097 -191.8044 -155.2260 761351.1535 7.3304 7.3377 PRESSURE: 2913000 36.7694 -6.52491 69.0758 -6.52521 27.7548 28.6946 69.0755 28.6947 91.1885 GPRESSURE: 2913000 40.4468 -29.6483 85.8579 -148.522 134.583 19.4907 -13.8371 59.291 54.6517 PRESSAVG: 2913000 23.4772 -36.3645 4.30409 -36.3646 -17.8548 4.04015 4.30403 4.04013 -4.83589 GPRESSAVG: 2913000 24.5144 -36.2187 4.63678 -36.9476 -17.1474 5.59139 1.21712 6.25115 -6.65366 TIMING: 2913000 CPU: 9275.5, 0.00310726/step Wall: 9275.5, 0.00310726/step, 1.80135 hours remaining, 234.964844 MB of memory in use. ENERGY: 2913000 3996.6091 20465.8111 14449.8338 241.9760 -203412.0063 2356.4341 0.0000 0.0000 52219.6754 -109681.6667 300.1072 -161901.3422 -109318.2405 298.9767 51.9043 76.5604 761101.6149 0.2621 0.2378 PRESSURE: 2913200 -147.173 35.6094 -86.6101 35.6094 -232.456 -271.132 -86.6096 -271.132 188.813 GPRESSURE: 2913200 38.6999 -5.69177 -25.965 46.0524 -295.174 -241.088 -117.075 -303.724 152.149 PRESSAVG: 2913200 58.1009 6.28956 1.89113 6.28946 -76.8294 -0.50482 1.89116 -0.504762 27.7118 GPRESSAVG: 2913200 56.9745 7.33285 2.02644 5.63857 -75.998 -0.825475 3.63078 -2.85008 28.5023 TIMING: 2913200 CPU: 9276.13, 0.0031206/step Wall: 9276.13, 0.0031206/step, 1.80891 hours remaining, 234.964844 MB of memory in use. ENERGY: 2913200 4060.0897 20624.1068 14447.4809 258.2809 -203446.6496 2524.0400 0.0000 0.0000 52019.4336 -109513.2177 298.9564 -161532.6513 -109161.5061 298.7228 -63.6055 -34.7749 760187.1700 2.9944 3.1596 PRESSURE: 2913400 149.632 38.4337 141.003 38.4328 -214.72 23.5861 141.003 23.5854 -168.747 GPRESSURE: 2913400 97.6551 72.2306 150.538 126.856 -158.717 56.2318 49.2533 2.38719 -88.0142 PRESSAVG: 2913400 52.1904 -2.52335 4.44869 -2.52337 -40.8243 -3.96696 4.44869 -3.96698 -2.28147 GPRESSAVG: 2913400 53.441 -4.86368 4.30697 -0.795152 -42.1775 -4.42806 3.78915 -3.84411 -2.13378 TIMING: 2913400 CPU: 9276.75, 0.00311845/step Wall: 9276.75, 0.00311845/step, 1.80749 hours remaining, 234.964844 MB of memory in use. ENERGY: 2913400 3979.6311 20652.0622 14455.8766 250.7581 -203393.9657 2702.0278 0.0000 0.0000 51991.9844 -109361.6255 298.7986 -161353.6099 -109006.2226 299.9081 -77.9451 -49.6921 760659.5739 3.0282 3.0433 PRESSURE: 2913600 112.244 -54.4868 -73.0237 -54.4859 -161.913 139.181 -73.0237 139.182 86.0964 GPRESSURE: 2913600 100.876 76.3232 -8.43957 17.4708 -21.4721 96.0089 -19.8937 128.406 53.3872 PRESSAVG: 2913600 83.4656 -34.9122 9.76523 -34.9122 -86.0689 3.66648 9.76523 3.66646 -1.30264 GPRESSAVG: 2913600 84.1303 -34.3602 8.0674 -35.397 -86.6443 4.0808 11.2583 3.94425 -1.22731 TIMING: 2913600 CPU: 9277.38, 0.00314396/step Wall: 9277.38, 0.00314396/step, 1.8221 hours remaining, 234.964844 MB of memory in use. ENERGY: 2913600 3969.2812 20666.9652 14491.5287 242.9990 -203368.5458 2704.9761 0.0000 0.0000 52069.4917 -109223.3039 299.2441 -161292.7956 -108864.4614 299.7520 12.1425 44.2636 760712.0183 -1.3020 -1.2471 PRESSURE: 2913800 1.13009 -61.7994 -109.687 -61.7998 -188.854 35.8774 -109.686 35.8766 132.88 GPRESSURE: 2913800 -3.97508 62.8989 -60.4159 -13.2339 -123.421 -48.676 -50.3615 43.1221 154.602 PRESSAVG: 2913800 37.7367 15.6526 11.8173 15.6526 -22.0023 -31.6907 11.8172 -31.6907 12.8082 GPRESSAVG: 2913800 36.093 17.6771 13.0469 14.0016 -21.0804 -32.5016 11.8805 -30.9023 13.0976 TIMING: 2913800 CPU: 9278, 0.00313261/step Wall: 9278, 0.00313261/step, 1.81534 hours remaining, 234.964844 MB of memory in use. ENERGY: 2913800 4001.0427 20498.0671 14354.9094 237.6738 -203265.8617 2659.0584 0.0000 0.0000 52257.1754 -109257.9349 300.3227 -161515.1103 -108888.4136 299.9593 -18.2814 9.0688 761271.3571 9.5142 9.3701 PRESSURE: 2914000 -303.156 -61.3223 104.051 -61.3232 -146.557 85.7888 104.051 85.7885 -148.215 GPRESSURE: 2914000 -161.1 -61.8673 100.603 -70.1894 -248.565 84.9551 -44.3841 135.752 -106.742 PRESSAVG: 2914000 59.5383 -38.6397 6.64292 -38.6397 -68.1107 -5.25215 6.64288 -5.25219 12.474 GPRESSAVG: 2914000 60.6121 -37.6693 6.77527 -37.4893 -69.2317 -2.41976 7.06279 -7.33682 12.5977 TIMING: 2914000 CPU: 9278.63, 0.00313425/step Wall: 9278.63, 0.00313425/step, 1.81612 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2914000 4011.9747 20549.2873 14477.5691 243.6554 -203304.4403 2651.5277 0.0000 0.0000 51983.1948 -109387.2313 298.7481 -161370.4260 -109024.6524 299.9321 -199.3091 -172.1357 761611.5646 1.3005 1.3260 PRESSURE: 2914200 125.498 111.071 -65.2492 111.071 -309.776 -29.7605 -65.2498 -29.7613 34.0803 GPRESSURE: 2914200 49.8534 107.331 15.7095 63.8827 -168.197 -118.203 -23.9633 -166.485 47.2434 PRESSAVG: 2914200 29.3542 14.4609 39.7658 14.4608 -1.87644 -4.3941 39.7657 -4.39414 15.1403 GPRESSAVG: 2914200 28.0049 12.6152 41.0789 14.8516 -0.321547 -6.96009 37.5589 -4.26893 14.7603 TIMING: 2914200 CPU: 9279.26, 0.00314714/step Wall: 9279.26, 0.00314714/step, 1.82342 hours remaining, 234.964844 MB of memory in use. ENERGY: 2914200 4003.2982 20513.4942 14538.0884 261.9536 -203488.6307 2639.1688 0.0000 0.0000 52074.5840 -109458.0436 299.2733 -161532.6276 -109094.9054 299.4815 -50.0660 -23.7000 760283.9416 14.2060 14.1479 PRESSURE: 2914400 163.411 -217.993 -52.1316 -217.993 -67.7098 272.502 -52.131 272.501 -285.319 GPRESSURE: 2914400 182.528 -277.622 17.5614 -130.18 -21.9005 251.963 15.2772 198.033 -257.075 PRESSAVG: 2914400 31.8665 -37.877 3.01787 -37.877 -23.6225 -26.3626 3.0178 -26.3626 7.09102 GPRESSAVG: 2914400 32.7679 -38.8015 3.68711 -38.5708 -24.1303 -25.396 4.04381 -25.7525 7.40925 TIMING: 2914400 CPU: 9279.89, 0.00314903/step Wall: 9279.89, 0.00314903/step, 1.82434 hours remaining, 234.964844 MB of memory in use. ENERGY: 2914400 3976.0452 20569.8764 14383.2238 241.5170 -203133.1026 2193.9599 0.0000 0.0000 52224.6094 -109543.8710 300.1355 -161768.4803 -109181.3373 299.6978 -63.2059 -32.1491 762502.0547 5.1117 5.3490 PRESSURE: 2914600 125.628 -19.5395 10.5046 -19.5398 -101.168 -114.378 10.5049 -114.378 -399.624 GPRESSURE: 2914600 126.892 74.8048 12.7268 -60.4488 -52.114 -124.539 -4.08999 -15.9861 -357.186 PRESSAVG: 2914600 6.62271 49.1666 -0.438689 49.1665 -16.4613 -23.5216 -0.438637 -23.5217 -10.3247 GPRESSAVG: 2914600 5.76379 48.632 -0.848492 50.9492 -16.2144 -23.4933 -2.01098 -23.3589 -9.2686 TIMING: 2914600 CPU: 9280.51, 0.00312026/step Wall: 9280.51, 0.00312026/step, 1.8075 hours remaining, 234.964844 MB of memory in use. ENERGY: 2914600 4045.6090 20507.9146 14482.6970 256.3388 -203757.4187 2803.4422 0.0000 0.0000 52224.5332 -109436.8840 300.1351 -161661.4172 -109073.5181 299.2916 -125.0546 -94.1363 760505.8737 -6.7211 -6.5731 PRESSURE: 2914800 309.994 124.271 -109.181 124.272 -20.2125 -67.4176 -109.181 -67.4169 119.307 GPRESSURE: 2914800 324.799 -61.5868 -71.2182 123.284 48.9106 -64.8844 -160.276 2.73911 133.032 PRESSAVG: 2914800 10.8582 -0.998958 11.5611 -0.998979 -12.8644 17.8097 11.561 17.8097 5.00881 GPRESSAVG: 2914800 10.8067 -1.0177 11.0689 -3.6251 -11.8708 15.4619 12.7943 19.7205 4.1681 TIMING: 2914800 CPU: 9281.14, 0.00313092/step Wall: 9281.14, 0.00313092/step, 1.8135 hours remaining, 234.964844 MB of memory in use. ENERGY: 2914800 4007.8033 20556.8702 14429.6332 242.6107 -203473.4551 2856.4766 0.0000 0.0000 52112.2095 -109267.8516 299.4896 -161380.0611 -108910.4439 299.3790 136.3629 168.9138 761409.0926 1.0009 1.0346 PRESSURE: 2915000 -135.145 50.6771 -25.5721 50.6774 -153.151 -29.175 -25.5722 -29.1755 193.85 GPRESSURE: 2915000 -98.5064 117.055 3.13873 66.1718 -149.565 -15.1203 -159.148 -12.5238 227.919 PRESSAVG: 2915000 57.2323 -62.9211 -35.4551 -62.9211 -45.3092 45.2769 -35.4551 45.2768 -4.42 GPRESSAVG: 2915000 57.8099 -60.9078 -35.4654 -61.6528 -46.9343 47.6854 -35.8264 42.8151 -3.64651 TIMING: 2915000 CPU: 9281.77, 0.00315665/step Wall: 9281.77, 0.00315665/step, 1.82823 hours remaining, 234.964844 MB of memory in use. ENERGY: 2915000 3981.2469 20520.0745 14459.7515 250.3264 -203417.0744 2452.6743 0.0000 0.0000 52515.4269 -109237.5739 301.8069 -161753.0008 -108861.6761 299.8907 -31.4817 -6.7175 762693.0761 2.5010 2.4097 PRESSURE: 2915200 15.8154 43.6973 -44.6355 43.6975 63.9989 -122.58 -44.6359 -122.581 160.77 GPRESSURE: 2915200 110.489 50.6711 49.1339 -47.3787 96.1378 -39.223 -74.0173 -107.603 127.625 PRESSAVG: 2915200 62.306 28.0691 -14.992 28.0691 -61.8123 12.1185 -14.992 12.1185 10.9872 GPRESSAVG: 2915200 62.5981 27.3399 -15.4729 27.069 -61.6971 11.9294 -17.4955 11.0469 10.6335 TIMING: 2915200 CPU: 9282.4, 0.00313137/step Wall: 9282.4, 0.00313137/step, 1.81341 hours remaining, 234.964844 MB of memory in use. ENERGY: 2915200 4023.8865 20670.0114 14434.7774 251.5846 -203404.9733 2632.7399 0.0000 0.0000 52286.0993 -109105.8743 300.4889 -161391.9736 -108741.8027 300.0926 80.1949 111.4173 761202.1859 3.8270 3.8449 PRESSURE: 2915400 62.2581 -147.777 -53.5051 -147.777 7.3782 -28.0002 -53.5046 -28.0007 -144.522 GPRESSURE: 2915400 206.721 -204.74 -65.0177 -95.1471 -22.7858 12.6033 25.3702 -4.78514 -158.681 PRESSAVG: 2915400 80.3957 -33.7259 -1.17697 -33.7259 -43.6413 2.28736 -1.17696 2.28742 -9.77953 GPRESSAVG: 2915400 80.1889 -33.9808 -0.521302 -31.4935 -43.9143 2.49309 0.701996 3.73044 -9.12007 TIMING: 2915400 CPU: 9283.03, 0.00314074/step Wall: 9283.03, 0.00314074/step, 1.81866 hours remaining, 234.964844 MB of memory in use. ENERGY: 2915400 3975.0601 20554.4732 14470.7000 246.5391 -203077.3791 2406.9978 0.0000 0.0000 52262.7365 -109160.8724 300.3547 -161423.6089 -108802.1606 300.6549 -24.9618 8.4180 761076.2610 8.9916 9.0515 PRESSURE: 2915600 -18.9349 -246.685 -139.641 -246.685 -278.776 -176.284 -139.641 -176.285 -145.953 GPRESSURE: 2915600 70.4176 -270.477 -173.125 -108.81 -220.274 -152.491 -90.1 -203.85 -210.795 PRESSAVG: 2915600 25.3249 -12.2563 -23.1423 -12.2562 -13.1216 28.7157 -23.1423 28.7157 -32.4444 GPRESSAVG: 2915600 24.3323 -11.277 -24.7902 -13.0116 -12.4865 28.2274 -21.8651 27.6199 -32.1034 TIMING: 2915600 CPU: 9283.65, 0.00312258/step Wall: 9283.65, 0.00312258/step, 1.80797 hours remaining, 234.964844 MB of memory in use. ENERGY: 2915600 4020.6180 20632.0850 14434.5928 255.6721 -202921.3895 2398.4518 0.0000 0.0000 52216.6287 -108963.3411 300.0897 -161179.9698 -108606.6055 300.2483 -147.8880 -120.2172 761313.7570 -6.7470 -6.7525 PRESSURE: 2915800 160.192 4.18169 -126.464 4.1817 -187.475 -118.54 -126.464 -118.54 -220.192 GPRESSURE: 2915800 119.744 87.5213 34.7622 100.64 -150.199 -64.9021 -223.193 -146.021 -144.179 PRESSAVG: 2915800 36.9307 -31.1134 -33.3415 -31.1133 -14.807 19.4775 -33.3415 19.4776 15.9128 GPRESSAVG: 2915800 37.8218 -30.8501 -31.9875 -31.8565 -14.4955 19.656 -33.7241 20.5397 14.7592 TIMING: 2915800 CPU: 9284.28, 0.0031334/step Wall: 9284.28, 0.0031334/step, 1.81406 hours remaining, 234.964844 MB of memory in use. ENERGY: 2915800 4018.5791 20623.7544 14412.2921 246.9143 -202698.7954 2014.3528 0.0000 0.0000 52374.6414 -109008.2614 300.9978 -161382.9028 -108640.9113 300.6748 -82.4917 -58.2113 761657.3750 12.6788 12.6952 PRESSURE: 2916000 -116.29 -67.4278 116.56 -67.4285 -35.9927 -205.309 116.56 -205.308 69.0922 GPRESSURE: 2916000 -97.3771 46.4888 109.314 -259.841 -11.1497 -166.203 -70.9164 -191.211 99.5322 PRESSAVG: 2916000 35.1283 13.4394 -45.4915 13.4395 -20.0211 2.07742 -45.4916 2.07732 4.74265 GPRESSAVG: 2916000 34.6248 11.3931 -45.4505 14.4253 -20.6719 1.1203 -46.6375 1.53517 5.40301 TIMING: 2916000 CPU: 9284.9, 0.00312319/step Wall: 9284.9, 0.00312319/step, 1.80798 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2916000 4009.6992 20520.6586 14519.6395 259.1786 -203257.5956 2645.2318 0.0000 0.0000 52127.0770 -109176.1108 299.5750 -161303.1878 -108821.4287 300.4190 -27.7301 -2.9982 762180.5849 6.6166 6.4520 PRESSURE: 2916200 -139.686 87.223 -122.096 87.2232 103.922 -316.117 -122.096 -316.118 26.6888 GPRESSURE: 2916200 -65.722 121.974 -122.545 16.9296 80.7705 -293.9 -123.325 -369.288 67.9914 PRESSAVG: 2916200 22.6304 -8.37234 -10.435 -8.37233 -23.8501 -49.3128 -10.435 -49.3129 -5.56915 GPRESSAVG: 2916200 21.9991 -7.03597 -11.155 -8.5374 -23.7174 -48.6614 -9.90999 -48.913 -4.511 TIMING: 2916200 CPU: 9285.53, 0.00312568/step Wall: 9285.53, 0.00312568/step, 1.80925 hours remaining, 234.964844 MB of memory in use. ENERGY: 2916200 3948.5935 20616.7682 14517.8453 276.9948 -203462.6551 2689.7162 0.0000 0.0000 52261.1269 -109151.6101 300.3454 -161412.7370 -108787.5150 299.6662 -3.0250 27.6800 762132.7933 -2.2629 -2.0764 LDB: ============= START OF LOAD BALANCING ============== 9297.95 LDB: ============== END OF LOAD BALANCING =============== 9297.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9297.95 LDB: ============= START OF LOAD BALANCING ============== 9298.26 LDB: Largest compute 7025 load 0.030954 is 15.8% of average load 0.195476 LDB: Average compute 0.004381 is 2.2% of average load 0.195476 LDB: TIME 9298.26 LOAD: AVG 0.195476 MAX 0.215699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.227 MB LDB: TIME 9298.26 LOAD: AVG 0.195476 MAX 0.215699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: TIME 9298.26 LOAD: AVG 0.195476 MAX 0.215699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.426 MB LDB: ============== END OF LOAD BALANCING =============== 9298.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9298.27 PRESSURE: 2916400 -64.5959 -20.1145 -14.8819 -20.1146 -195.619 -138.109 -14.8821 -138.107 179.382 GPRESSURE: 2916400 11.5011 -11.6091 -104.179 -15.4849 -178.924 -62.9738 55.3303 -174.556 160.047 PRESSAVG: 2916400 37.2066 -6.75386 -13.3004 -6.75382 -9.33827 -57.3866 -13.3004 -57.3866 28.0676 GPRESSAVG: 2916400 37.1761 -7.95687 -15.4633 -7.69799 -8.42694 -57.6422 -12.7176 -58.8244 26.842 TIMING: 2916400 CPU: 9286.17, 0.00318674/step Wall: 9286.17, 0.00318674/step, 1.84441 hours remaining, 236.703125 MB of memory in use. ENERGY: 2916400 4024.7498 20504.3971 14453.0032 255.0505 -203416.6116 2662.9609 0.0000 0.0000 52206.2170 -109310.2332 300.0298 -161516.4501 -108958.7422 299.9094 -26.9444 -2.4585 760863.3709 18.6453 18.5304 PRESSURE: 2916600 -241.665 74.1984 -154.329 74.1974 -337.509 -259.405 -154.329 -259.405 395.156 GPRESSURE: 2916600 -163.981 87.7549 -100.064 93.8437 -267.899 -228.894 -82.9977 -241.365 330.285 PRESSAVG: 2916600 56.3991 -17.2782 -17.8756 -17.2782 -16.536 -2.35952 -17.8756 -2.35945 -5.16231 GPRESSAVG: 2916600 56.4263 -15.8904 -15.1474 -16.7312 -17.1026 -1.28416 -18.1098 -1.14225 -4.92635 TIMING: 2916600 CPU: 9286.79, 0.00313804/step Wall: 9286.79, 0.00313804/step, 1.81605 hours remaining, 236.976562 MB of memory in use. ENERGY: 2916600 3998.6897 20496.3957 14529.3394 220.2575 -203225.5577 2478.0364 0.0000 0.0000 52113.5075 -109389.3316 299.4970 -161502.8390 -109024.2363 299.2625 -61.3394 -33.8651 760952.8573 11.5670 11.4658 PRESSURE: 2916800 281.984 30.9986 118.727 30.9982 -124.495 16.1129 118.726 16.1133 -227.441 GPRESSURE: 2916800 285.547 39.5734 31.8836 40.717 -68.9309 24.0578 75.8854 38.5191 -195.519 PRESSAVG: 2916800 20.0379 27.1798 -26.0463 27.1798 -21.3083 -25.768 -26.0462 -25.768 4.69437 GPRESSAVG: 2916800 19.2652 27.0362 -26.5201 26.8141 -21.2609 -27.4385 -24.1113 -26.3522 4.79344 TIMING: 2916800 CPU: 9287.42, 0.00312582/step Wall: 9287.42, 0.00312582/step, 1.80881 hours remaining, 236.976562 MB of memory in use. ENERGY: 2916800 3982.6647 20586.9398 14536.1320 236.8171 -202895.8831 2405.7992 0.0000 0.0000 51624.9137 -109522.6165 296.6891 -161147.5302 -109170.4334 299.4986 -23.3172 7.0323 760471.1508 1.1413 0.9326 PRESSURE: 2917000 50.0129 201.069 -170.606 201.069 109.815 140.061 -170.606 140.06 -166.182 GPRESSURE: 2917000 143.682 180.863 -180.028 286.064 106.341 4.16779 -112.21 80.4102 -183.237 PRESSAVG: 2917000 37.1207 -4.10735 -35.6146 -4.10737 -74.4262 -36.1039 -35.6146 -36.104 5.69114 GPRESSAVG: 2917000 38.3906 -1.78033 -34.5351 -5.48332 -75.7256 -36.542 -37.7878 -34.6909 5.49489 TIMING: 2917000 CPU: 9288.04, 0.00312326/step Wall: 9288.04, 0.00312326/step, 1.80715 hours remaining, 237.046875 MB of memory in use. ENERGY: 2917000 4002.2159 20652.1005 14519.7627 240.8564 -203146.8106 2456.0679 0.0000 0.0000 51946.7506 -109329.0566 298.5387 -161275.8072 -108971.1549 299.3849 -2.1178 22.2620 761028.4444 -10.5381 -10.6134 PRESSURE: 2917200 46.7563 -127.535 -10.7191 -127.535 -192.913 -61.1086 -10.719 -61.109 -189.373 GPRESSURE: 2917200 92.9843 -115.718 -44.1134 -91.9589 -218.671 -43.584 40.5137 9.50464 -139.825 PRESSAVG: 2917200 57.5229 -28.0995 -37.392 -28.0995 -14.0752 -22.4124 -37.3921 -22.4123 -29.2135 GPRESSAVG: 2917200 56.827 -30.7902 -40.9065 -25.8969 -13.4772 -21.3381 -34.7981 -24.1424 -29.567 TIMING: 2917200 CPU: 9288.67, 0.00312592/step Wall: 9288.67, 0.00312592/step, 1.80852 hours remaining, 237.046875 MB of memory in use. ENERGY: 2917200 4050.5434 20514.2764 14537.2246 243.2678 -202570.3153 2053.9338 0.0000 0.0000 52165.9381 -109005.1313 299.7984 -161171.0694 -108643.2721 299.8180 -111.8434 -88.5041 762184.0188 4.7447 4.5943 PRESSURE: 2917400 57.2566 -117.856 157.332 -117.856 65.6646 -84.0912 157.332 -84.0913 261.117 GPRESSURE: 2917400 103.288 -137.333 137.642 -40.1988 97.3406 -84.7894 236.313 -35.0961 258.245 PRESSAVG: 2917400 -9.93785 -77.8099 -32.7399 -77.8099 -32.0046 -15.3007 -32.7399 -15.3007 -2.63411 GPRESSAVG: 2917400 -10.0344 -77.4241 -31.6335 -78.7481 -32.9691 -16.2574 -34.389 -14.6425 -2.13512 TIMING: 2917400 CPU: 9289.29, 0.00311885/step Wall: 9289.29, 0.00311885/step, 1.80426 hours remaining, 237.046875 MB of memory in use. ENERGY: 2917400 3942.3425 20553.6905 14521.4564 258.3357 -203407.4391 2568.3054 0.0000 0.0000 52428.4653 -109134.8433 301.3071 -161563.3086 -108769.2331 300.5788 128.0128 152.9578 761930.8368 -14.8589 -15.0462 PRESSURE: 2917600 -51.7926 -247.2 -82.4333 -247.199 -223.462 193.163 -82.433 193.163 -12.0055 GPRESSURE: 2917600 -13.1434 -166.45 -43.5934 -287.016 -213.739 185.227 -41.1701 132.3 45.6683 PRESSAVG: 2917600 49.6453 -17.241 4.80832 -17.241 -17.9287 -1.39183 4.80836 -1.39185 22.422 GPRESSAVG: 2917600 50.2388 -16.6919 7.5587 -17.2144 -17.9103 0.252148 4.62323 -1.21054 22.2379 TIMING: 2917600 CPU: 9289.92, 0.00312425/step Wall: 9289.92, 0.00312425/step, 1.80721 hours remaining, 237.117188 MB of memory in use. ENERGY: 2917600 3956.0523 20406.6509 14460.8663 257.5271 -202901.7609 2254.2507 0.0000 0.0000 52366.0703 -109200.3432 300.9485 -161566.4135 -108834.2924 300.3388 -95.7535 -60.4046 761158.3496 18.0462 18.1888 PRESSURE: 2917800 -578.252 -144.228 -90.6492 -144.228 -266.026 -7.83528 -90.6484 -7.83576 -45.5849 GPRESSURE: 2917800 -478.934 13.7074 -76.8048 -102.392 -309.602 -37.1767 -17.9901 30.6729 -29.3893 PRESSAVG: 2917800 23.0897 -17.3225 25.7277 -17.3225 -29.9364 -6.517 25.7278 -6.51696 -28.4672 GPRESSAVG: 2917800 22.0654 -16.3227 24.2819 -17.4978 -28.6211 -6.1942 25.1959 -6.00869 -29.1372 TIMING: 2917800 CPU: 9290.54, 0.00312364/step Wall: 9290.54, 0.00312364/step, 1.80668 hours remaining, 237.117188 MB of memory in use. ENERGY: 2917800 4007.0042 20475.9165 14500.0143 261.2982 -202639.3379 2005.6286 0.0000 0.0000 52028.9780 -109360.4980 299.0113 -161389.4760 -109009.7383 299.5956 -296.6211 -272.6417 761970.2909 -11.7713 -11.8976 PRESSURE: 2918000 225.449 -253.003 18.6247 -253.004 -199.815 37.2061 18.6247 37.2057 -448.767 GPRESSURE: 2918000 228.649 -212.864 135.222 -347.901 -229.9 14.6628 -14.2535 39.4074 -351.705 PRESSAVG: 2918000 40.1351 5.69238 -58.0721 5.69242 -46.7312 -40.2159 -58.0721 -40.2159 0.547841 GPRESSAVG: 2918000 39.4748 3.75537 -57.6018 5.93894 -46.5918 -41.2643 -58.4654 -41.2687 1.39936 TIMING: 2918000 CPU: 9291.17, 0.00312241/step Wall: 9291.17, 0.00312241/step, 1.80579 hours remaining, 237.117188 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: 2918000 4007.1247 20406.4480 14513.3912 243.5848 -203268.3667 2596.8101 0.0000 0.0000 52056.8411 -109444.1669 299.1714 -161501.0080 -109079.8014 299.6890 -141.0441 -117.6524 762771.8523 -2.0161 -1.9059 PRESSURE: 2918200 -57.6145 -0.877345 40.6681 -0.877338 94.9594 28.6118 40.6684 28.6113 13.8844 GPRESSURE: 2918200 6.04114 90.52 -96.67 -49.9021 110.497 25.2571 99.2612 -94.4387 22.2309 PRESSAVG: 2918200 50.9126 -61.999 -8.58735 -61.999 18.4507 2.83938 -8.5873 2.83937 -6.85195 GPRESSAVG: 2918200 51.8255 -61.6903 -8.93953 -62.0597 18.1011 2.55659 -6.04316 5.047 -7.57383 TIMING: 2918200 CPU: 9291.79, 0.00312981/step Wall: 9291.79, 0.00312981/step, 1.8099 hours remaining, 237.117188 MB of memory in use. ENERGY: 2918200 4005.2787 20590.1111 14437.7372 248.1707 -203465.5944 2619.5372 0.0000 0.0000 52145.4753 -109419.2843 299.6808 -161564.7596 -109059.0644 299.7961 17.0764 46.2565 761332.6415 20.8371 20.7843 PRESSURE: 2918400 -216.584 280.897 -135.197 280.898 482.796 96.7286 -135.198 96.7289 -117.66 GPRESSURE: 2918400 -222.812 319.841 -113.138 226.993 503.197 92.4474 -266.582 38.9285 -39.663 PRESSAVG: 2918400 25.9876 7.16754 -66.3911 7.16751 -8.85896 6.37814 -66.3911 6.37816 5.26728 GPRESSAVG: 2918400 25.2094 6.36343 -66.4934 7.66294 -8.34827 8.49109 -67.2225 4.5176 5.97594 TIMING: 2918400 CPU: 9292.42, 0.00313215/step Wall: 9292.42, 0.00313215/step, 1.81108 hours remaining, 237.117188 MB of memory in use. ENERGY: 2918400 4091.5609 20479.7278 14485.8607 241.6961 -203663.0598 2733.1247 0.0000 0.0000 51877.6485 -109753.4410 298.1416 -161631.0895 -109391.0372 298.9846 49.5173 80.2409 760078.5714 7.4653 7.6124 PRESSURE: 2918600 -221.194 5.41302 33.0073 5.41292 -209.235 -113.166 33.0065 -113.168 -36.497 GPRESSURE: 2918600 -283.975 -33.7934 24.5556 -24.9494 -135.909 -194.697 -81.5964 -92.6747 21.486 PRESSAVG: 2918600 -27.3934 13.3101 -32.0054 13.3102 43.4501 4.18742 -32.0054 4.18748 -11.8053 GPRESSAVG: 2918600 -27.454 15.4932 -29.6598 10.9732 43.241 4.59094 -33.9005 3.05207 -11.4554 TIMING: 2918600 CPU: 9293.04, 0.00312023/step Wall: 9293.04, 0.00312023/step, 1.80402 hours remaining, 237.117188 MB of memory in use. ENERGY: 2918600 4053.7329 20574.3292 14523.2181 256.0709 -203294.0379 2403.1451 0.0000 0.0000 51805.2940 -109678.2478 297.7257 -161483.5418 -109320.9625 298.4830 -155.6419 -132.7991 761149.3580 1.4171 1.4439 PRESSURE: 2918800 6.12923 3.30574 -72.5417 3.30639 174.441 -63.2987 -72.5421 -63.2983 -54.6583 GPRESSURE: 2918800 -45.1136 -4.9967 -78.5769 33.1625 245.94 -151.152 -122.656 -32.6221 5.73686 PRESSAVG: 2918800 30.7516 -39.6857 28.0735 -39.6857 -34.4541 28.0603 28.0735 28.0604 -5.34824 GPRESSAVG: 2918800 31.6645 -39.1548 26.1124 -37.7434 -34.0994 27.8684 30.2864 30.0317 -6.46145 TIMING: 2918800 CPU: 9293.67, 0.00312288/step Wall: 9293.67, 0.00312288/step, 1.80537 hours remaining, 237.117188 MB of memory in use. ENERGY: 2918800 3938.5103 20522.1674 14519.1424 260.0993 -203255.5768 2241.2357 0.0000 0.0000 52338.8075 -109435.6142 300.7918 -161774.4217 -109074.2979 298.9262 41.9708 68.8543 760878.2959 -3.0169 -2.9655 PRESSURE: 2919000 -341.472 152.485 163.258 152.486 -402.525 51.1169 163.258 51.117 -362.145 GPRESSURE: 2919000 -268.901 239.636 122.685 94.5705 -410.239 167.635 132.984 -17.9768 -337.387 PRESSAVG: 2919000 61.6317 -19.0355 36.6923 -19.0356 -12.2235 0.78876 36.6923 0.788747 10.8191 GPRESSAVG: 2919000 60.5756 -19.072 36.4254 -19.7623 -12.3829 -0.948556 35.7425 -0.622914 11.9997 TIMING: 2919000 CPU: 9294.29, 0.00313194/step Wall: 9294.29, 0.00313194/step, 1.81043 hours remaining, 237.117188 MB of memory in use. ENERGY: 2919000 4047.5751 20762.0458 14522.3284 248.2629 -203279.6478 2158.2761 0.0000 0.0000 52108.6432 -109432.5163 299.4691 -161541.1595 -109079.2006 299.8893 -368.7138 -338.8422 762856.1897 20.0758 20.0641 PRESSURE: 2919200 -35.3934 48.4379 61.1001 48.4377 -265.749 237.572 61.0999 237.572 344.41 GPRESSURE: 2919200 -30.9134 42.4891 65.3251 -11.3402 -115.934 182.486 175.481 351.389 284.003 PRESSAVG: 2919200 6.21738 -27.0783 52.7092 -27.0783 7.56777 21.0806 52.7092 21.0807 11.3348 GPRESSAVG: 2919200 7.0343 -29.8892 53.6686 -25.8064 7.82386 21.4925 52.3179 19.7201 10.1357 TIMING: 2919200 CPU: 9294.92, 0.0031151/step Wall: 9294.92, 0.0031151/step, 1.80053 hours remaining, 237.117188 MB of memory in use. ENERGY: 2919200 4038.3060 20341.7399 14389.5751 251.3689 -203679.7904 2687.9363 0.0000 0.0000 52399.2126 -109571.6517 301.1390 -161970.8642 -109203.6824 299.3614 14.4224 45.7186 760678.5170 8.3733 8.3313 PRESSURE: 2919400 219.97 -147.697 -51.2864 -147.697 17.7448 -33.5256 -51.2869 -33.526 618.951 GPRESSURE: 2919400 194.35 -60.8637 -23.881 -129.023 121.105 -62.1786 121.962 -16.5902 600.488 PRESSAVG: 2919400 45.1099 -30.084 0.877114 -30.0839 22.6657 -12.1307 0.877052 -12.1308 15.9805 GPRESSAVG: 2919400 44.3308 -28.8062 1.87156 -31.1718 23.059 -12.3419 2.67121 -11.2617 16.2883 TIMING: 2919400 CPU: 9295.54, 0.00312833/step Wall: 9295.54, 0.00312833/step, 1.808 hours remaining, 237.117188 MB of memory in use. ENERGY: 2919400 4041.6428 20461.9244 14492.3705 265.5203 -203755.0921 2661.0243 0.0000 0.0000 52123.9292 -109708.6805 299.5569 -161832.6097 -109348.2865 299.2471 285.5550 305.3145 759858.3867 27.9187 27.8927 PRESSURE: 2919600 -45.4108 36.1155 -111.889 36.1145 -244.881 -359.001 -111.889 -359.002 -157.06 GPRESSURE: 2919600 31.5341 80.2772 -177.65 13.7482 -296.86 -316.889 -189.991 -296.028 -98.3511 PRESSAVG: 2919600 40.2397 -14.5145 -39.1115 -14.5145 -51.5079 6.28776 -39.1115 6.28778 6.10256 GPRESSAVG: 2919600 40.7733 -15.0481 -39.1426 -12.5121 -52.4456 6.46223 -40.1895 6.18669 6.11029 TIMING: 2919600 CPU: 9296.17, 0.00312784/step Wall: 9296.17, 0.00312784/step, 1.80755 hours remaining, 237.117188 MB of memory in use. ENERGY: 2919600 3986.4966 20579.8139 14432.5648 242.0701 -203509.5098 2494.5365 0.0000 0.0000 52010.0161 -109764.0118 298.9023 -161774.0279 -109404.8587 298.5420 -149.1173 -121.2258 760489.5710 -1.7219 -1.8540 PRESSURE: 2919800 305.219 35.9216 55.2982 35.9213 243.853 41.0946 55.2979 41.095 584.777 GPRESSURE: 2919800 368.896 27.3859 37.6305 45.5332 271.464 35.0599 91.7326 39.914 596.207 PRESSAVG: 2919800 8.57803 8.26098 -4.14684 8.261 26.3581 -10.4908 -4.14685 -10.4907 8.11782 GPRESSAVG: 2919800 9.03229 9.1012 -3.1584 6.26285 27.5482 -12.0353 -5.47905 -8.43495 7.06763 TIMING: 2919800 CPU: 9296.79, 0.00311625/step Wall: 9296.79, 0.00311625/step, 1.80067 hours remaining, 237.117188 MB of memory in use. ENERGY: 2919800 3970.6030 20683.8441 14447.7293 239.7898 -204098.0021 3008.8466 0.0000 0.0000 52043.0540 -109704.1354 299.0921 -161747.1894 -109350.2390 299.2297 377.9496 412.1891 759626.4482 14.3513 14.5494 PRESSURE: 2920000 -58.2862 23.6199 25.2047 23.6202 -245.606 -86.2443 25.205 -86.2444 152.953 GPRESSURE: 2920000 -122.676 5.37956 -44.8726 -27.4016 -271.37 -156.04 161.198 -112.247 330.414 PRESSAVG: 2920000 -18.4947 -27.1554 20.448 -27.1554 -18.8352 0.633757 20.448 0.633788 11.5558 GPRESSAVG: 2920000 -17.7915 -27.6828 18.936 -25.6057 -18.713 1.42623 21.9675 1.57504 11.2616 TIMING: 2920000 CPU: 9297.42, 0.00313838/step Wall: 9297.42, 0.00313838/step, 1.81329 hours remaining, 237.117188 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: 2920000 4039.5984 20550.7490 14454.6250 255.2486 -203659.5044 2729.1837 0.0000 0.0000 51915.9423 -109714.1573 298.3616 -161630.0996 -109359.1925 298.7957 -50.3133 -21.2108 762099.6328 -8.5914 -8.4143 PRESSURE: 2920200 60.3577 173.062 248.325 173.061 -264.503 -87.9567 248.326 -87.9569 199.35 GPRESSURE: 2920200 142.187 174.946 337.093 201.372 -202.358 -86.96 70.356 53.0486 135.1 PRESSAVG: 2920200 -13.674 -29.8344 22.8339 -29.8344 70.646 -30.4246 22.8339 -30.4247 -10.9385 GPRESSAVG: 2920200 -13.0393 -31.5841 21.0718 -28.8546 69.8271 -31.4055 22.2944 -31.7193 -10.8114 TIMING: 2920200 CPU: 9298.04, 0.00312664/step Wall: 9298.04, 0.00312664/step, 1.80633 hours remaining, 237.117188 MB of memory in use. ENERGY: 2920200 3946.9849 20554.8234 14440.8711 235.7545 -203634.8138 2501.0828 0.0000 0.0000 52337.3133 -109617.9839 300.7833 -161955.2971 -109257.5176 299.0391 -1.5987 24.9764 761511.9513 15.3445 15.3255 LDB: ============= START OF LOAD BALANCING ============== 9310.46 LDB: ============== END OF LOAD BALANCING =============== 9310.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9310.46 LDB: ============= START OF LOAD BALANCING ============== 9310.77 LDB: Largest compute 7034 load 0.030072 is 15.4% of average load 0.195413 LDB: Average compute 0.004385 is 2.2% of average load 0.195413 LDB: TIME 9310.78 LOAD: AVG 0.195413 MAX 0.214684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.047 MB LDB: TIME 9310.78 LOAD: AVG 0.195413 MAX 0.214684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.047 MB LDB: TIME 9310.78 LOAD: AVG 0.195413 MAX 0.214684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.047 MB LDB: ============== END OF LOAD BALANCING =============== 9310.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9310.78 PRESSURE: 2920400 215.832 -47.3901 157.092 -47.3889 -26.5075 378.911 157.092 378.913 57.5387 GPRESSURE: 2920400 295.17 -95.1585 126.585 -84.8871 14.3796 346.261 99.9939 398.405 25.662 PRESSAVG: 2920400 36.1698 -3.05497 21.9493 -3.05492 -70.564 0.376858 21.9493 0.376803 3.60955 GPRESSAVG: 2920400 34.3733 -2.78584 24.1102 -4.27852 -69.7056 1.31151 19.2101 -0.379266 4.08437 TIMING: 2920400 CPU: 9298.68, 0.00316841/step Wall: 9298.68, 0.00316841/step, 1.83029 hours remaining, 233.234375 MB of memory in use. ENERGY: 2920400 3996.6759 20525.5774 14448.6926 239.2202 -203715.5218 2898.4204 0.0000 0.0000 52112.3452 -109494.5900 299.4904 -161606.9353 -109140.4046 299.4274 82.2878 111.7373 761870.2237 -10.2616 -10.4160 PRESSURE: 2920600 130.969 104.564 74.9345 104.563 237.915 130.02 74.9355 130.02 -354.983 GPRESSURE: 2920600 205.374 142.234 107.098 178.477 183.686 162.739 127.625 161.777 -287.549 PRESSAVG: 2920600 -44.6293 -2.51927 -6.9527 -2.51931 45.9712 4.69113 -6.95269 4.69112 -8.88932 GPRESSAVG: 2920600 -43.2302 0.0734636 -8.83754 -2.45659 45.0469 5.87336 -3.552 3.53306 -8.81992 TIMING: 2920600 CPU: 9299.3, 0.00310653/step Wall: 9299.3, 0.00310653/step, 1.79437 hours remaining, 233.433594 MB of memory in use. ENERGY: 2920600 3978.5855 20548.4777 14426.9868 249.5527 -203496.2317 2423.4308 0.0000 0.0000 52239.8409 -109629.3574 300.2231 -161869.1983 -109258.7959 299.2436 4.6338 33.8372 759511.6082 -2.5158 -2.3344 PRESSURE: 2920800 -65.9281 25.3341 -126.033 25.334 472.4 339.303 -126.033 339.303 132.474 GPRESSURE: 2920800 27.8509 41.6212 8.79212 -97.3748 319.472 309.255 -233.456 175.178 287.576 PRESSAVG: 2920800 -14.5393 -23.4757 -11.4029 -23.4757 45.107 58.4585 -11.4029 58.4586 14.8264 GPRESSAVG: 2920800 -14.4641 -22.7543 -8.60898 -25.1863 43.8489 55.583 -11.5099 58.8998 16.0653 TIMING: 2920800 CPU: 9299.92, 0.00311869/step Wall: 9299.92, 0.00311869/step, 1.80122 hours remaining, 233.433594 MB of memory in use. ENERGY: 2920800 4095.1209 20691.2806 14411.2800 251.5131 -203951.7097 2830.4910 0.0000 0.0000 52085.5999 -109586.4242 299.3367 -161672.0241 -109236.0483 299.3448 179.6489 211.6328 758981.2399 15.1314 15.1501 PRESSURE: 2921000 -399.463 151.731 226.786 151.731 -527.062 33.0603 226.785 33.0604 -124.946 GPRESSURE: 2921000 -400.595 130.966 225.698 256.347 -437.681 56.1325 225.327 -25.2193 -121.444 PRESSAVG: 2921000 -5.61179 -14.2003 4.45474 -14.2003 23.934 14.3644 4.45481 14.3645 0.384921 GPRESSAVG: 2921000 -6.78038 -14.344 2.09456 -14.4149 26.4221 17.4097 4.5438 15.7017 -1.32953 TIMING: 2921000 CPU: 9300.55, 0.00311805/step Wall: 9300.55, 0.00311805/step, 1.80067 hours remaining, 233.433594 MB of memory in use. ENERGY: 2921000 4025.3821 20606.5739 14439.3635 251.9975 -203217.2772 2307.0743 0.0000 0.0000 51964.7622 -109622.1236 298.6422 -161586.8858 -109262.9644 299.0004 -350.4905 -319.9065 760672.0355 6.2357 6.1041 PRESSURE: 2921200 3.30973 -85.2263 -24.2383 -85.2263 -116.044 195.785 -24.2395 195.784 -112.911 GPRESSURE: 2921200 75.7133 -104.827 -6.07097 -9.16174 -126.013 129.525 46.2737 147.019 -86.7781 PRESSAVG: 2921200 6.82628 -14.512 -40.4275 -14.512 -33.904 20.8244 -40.4275 20.8244 9.32184 GPRESSAVG: 2921200 6.95936 -15.3756 -40.085 -13.5035 -34.366 19.5916 -41.6107 20.7722 9.47853 TIMING: 2921200 CPU: 9301.17, 0.00312001/step Wall: 9301.17, 0.00312001/step, 1.80163 hours remaining, 233.433594 MB of memory in use. ENERGY: 2921200 4054.1403 20471.3106 14451.0081 249.4739 -203540.3523 2691.1247 0.0000 0.0000 51941.9562 -109681.3385 298.5111 -161623.2947 -109316.5432 298.9587 -75.2151 -45.6926 760568.4077 -5.9186 -5.9760 PRESSURE: 2921400 -382.913 43.9362 -168.265 43.9366 -371.347 -107.914 -168.265 -107.913 -29.8697 GPRESSURE: 2921400 -288.437 61.4991 -180.515 75.7045 -287.063 -115.921 -154.615 -67.996 -92.667 PRESSAVG: 2921400 -3.92177 -34.2511 2.85197 -34.2511 24.1211 24.099 2.85194 24.0991 -7.6745 GPRESSAVG: 2921400 -4.25466 -32.7855 3.30777 -33.2274 22.1788 24.8339 2.1764 23.2623 -5.18248 TIMING: 2921400 CPU: 9301.79, 0.00311787/step Wall: 9301.79, 0.00311787/step, 1.80022 hours remaining, 233.433594 MB of memory in use. ENERGY: 2921400 4025.0417 20585.2121 14481.2889 245.5332 -202966.2426 1939.2654 0.0000 0.0000 52026.0044 -109663.8969 298.9942 -161689.9014 -109302.0492 299.3846 -261.3763 -222.7222 760421.0631 4.1749 4.2472 PRESSURE: 2921600 -44.6628 313.806 2.50717 313.806 377.969 124.442 2.50743 124.442 -369.842 GPRESSURE: 2921600 57.9475 190.213 83.5901 259.016 327.828 102.509 32.9468 65.6352 -335.575 PRESSAVG: 2921600 -47.3039 10.5479 57.0828 10.5479 0.52886 25.398 57.0827 25.3979 9.87216 GPRESSAVG: 2921600 -46.0306 8.93683 56.6638 8.80432 0.804099 24.6963 60.0435 25.6047 8.33896 TIMING: 2921600 CPU: 9302.42, 0.00314434/step Wall: 9302.42, 0.00314434/step, 1.81533 hours remaining, 233.433594 MB of memory in use. ENERGY: 2921600 4013.4695 20621.6409 14457.9394 256.8413 -203356.6003 2594.2810 0.0000 0.0000 51764.8558 -109647.5724 297.4933 -161412.4282 -109285.9984 299.2424 -12.1788 16.7335 762232.0267 -12.3010 -12.2958 PRESSURE: 2921800 149.46 51.0128 -43.3185 51.0124 64.6781 143.845 -43.3182 143.846 130.803 GPRESSURE: 2921800 104.753 76.392 -52.7944 -10.5696 69.6602 104.693 36.1288 72.2412 252.706 PRESSAVG: 2921800 104.044 35.9789 -37.9389 35.9789 -76.4514 22.6569 -37.9389 22.6571 -21.5841 GPRESSAVG: 2921800 104.032 36.6672 -38.4365 37.1343 -75.2797 23.0307 -38.8816 22.6586 -22.9192 TIMING: 2921800 CPU: 9303.05, 0.00312754/step Wall: 9303.05, 0.00312754/step, 1.80546 hours remaining, 233.433594 MB of memory in use. ENERGY: 2921800 3998.2377 20691.2606 14471.8658 244.1009 -203720.1980 2656.4842 0.0000 0.0000 52113.5016 -109544.7472 299.4970 -161658.2488 -109191.6401 299.8781 114.9802 142.3729 759266.0447 2.0029 1.9444 PRESSURE: 2922000 -11.0306 24.3458 -150.155 24.3456 -177.143 34.9953 -150.155 34.9954 6.21668 GPRESSURE: 2922000 64.6911 -48.8059 -36.0783 -99.4708 -49.3542 108.826 -196.07 9.16704 -103.569 PRESSAVG: 2922000 32.1608 26.524 -17.9966 26.524 -32.7972 39.5222 -17.9966 39.5221 27.3123 GPRESSAVG: 2922000 29.6354 25.7408 -17.3379 25.4552 -31.4299 39.088 -18.5162 38.0602 28.5704 TIMING: 2922000 CPU: 9303.67, 0.00312726/step Wall: 9303.67, 0.00312726/step, 1.80513 hours remaining, 233.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2922000 4070.6445 20807.9057 14421.3780 236.9125 -203481.1075 2385.5510 0.0000 0.0000 52027.3646 -109531.3513 299.0020 -161558.7159 -109169.0134 299.3344 -60.6523 -29.4106 760663.9675 8.8920 8.9253 PRESSURE: 2922200 15.592 -164.645 68.5064 -164.645 99.1033 -216.943 68.5068 -216.944 -347.385 GPRESSURE: 2922200 1.1779 -156.557 48.0661 -148.985 147.746 -234.802 30.7063 -137.131 -265.471 PRESSAVG: 2922200 42.3598 38.0473 14.1075 38.0473 8.75665 54.5722 14.1075 54.5721 13.6824 GPRESSAVG: 2922200 44.8119 37.2053 12.1624 39.3856 7.65924 54.0801 16.6618 58.0251 12.175 TIMING: 2922200 CPU: 9304.3, 0.00311438/step Wall: 9304.3, 0.00311438/step, 1.79752 hours remaining, 233.433594 MB of memory in use. ENERGY: 2922200 3942.7279 20525.6151 14499.4214 248.7808 -203018.3839 2037.5473 0.0000 0.0000 52332.5997 -109431.6917 300.7562 -161764.2914 -109066.0380 299.8515 -77.5634 -38.8490 758068.7114 21.5996 21.5487 PRESSURE: 2922400 -201.463 74.6248 87.0938 74.625 -233.132 196.259 87.0944 196.259 -148.213 GPRESSURE: 2922400 -116.031 -4.14651 193.436 13.7223 -270.574 138.011 100.261 220.112 -107.08 PRESSAVG: 2922400 -8.67345 -28.7305 28.449 -28.7305 41.5936 -4.58434 28.449 -4.58436 10.2214 GPRESSAVG: 2922400 -8.96266 -26.7836 31.1625 -28.5632 40.644 -3.57438 25.6178 -5.43348 11.2836 TIMING: 2922400 CPU: 9304.92, 0.00309799/step Wall: 9304.92, 0.00309799/step, 1.78789 hours remaining, 233.433594 MB of memory in use. ENERGY: 2922400 4013.5743 20506.7127 14507.1383 255.5492 -203276.8463 2214.9155 0.0000 0.0000 52299.1471 -109479.8092 300.5639 -161778.9563 -109106.2182 299.7809 -194.2695 -164.5616 758048.9168 14.3805 14.3217 PRESSURE: 2922600 -39.1066 -81.5422 47.6171 -81.5417 -64.5601 104.685 47.6177 104.686 82.6381 GPRESSURE: 2922600 -56.7518 94.0969 4.86686 -0.0681656 35.5938 109.589 138.413 68.7937 101.3 PRESSAVG: 2922600 -10.8625 -11.4388 -9.54125 -11.4388 6.0729 45.838 -9.54127 45.838 -10.8695 GPRESSAVG: 2922600 -10.6305 -11.7158 -11.0101 -9.29116 5.88931 45.8571 -8.51356 44.4308 -11.2319 TIMING: 2922600 CPU: 9305.54, 0.00312403/step Wall: 9305.54, 0.00312403/step, 1.80274 hours remaining, 233.433594 MB of memory in use. ENERGY: 2922600 3952.4732 20745.9383 14513.4055 250.6486 -203558.6203 2433.3733 0.0000 0.0000 52212.3413 -109450.4401 300.0650 -161662.7814 -109095.1609 299.8982 -7.0095 26.7140 761845.1154 -5.2197 -5.3243 PRESSURE: 2922800 -122.893 -72.1692 -140.87 -72.1687 -2.84474 20.9397 -140.87 20.9401 101.483 GPRESSURE: 2922800 -73.1332 -80.1089 -110.58 -114.37 16.0812 15.541 -109.143 -11.424 93.311 PRESSAVG: 2922800 -18.5874 -71.4379 65.0778 -71.438 16.631 36.5378 65.0779 36.5379 15.0077 GPRESSAVG: 2922800 -17.5651 -70.0923 66.7566 -74.4145 16.6294 37.3043 65.4266 34.8456 14.1186 TIMING: 2922800 CPU: 9306.17, 0.00313385/step Wall: 9306.17, 0.00313385/step, 1.80823 hours remaining, 233.433594 MB of memory in use. ENERGY: 2922800 4075.1038 20535.1814 14436.7340 245.3145 -203840.2259 2997.9596 0.0000 0.0000 52126.8504 -109423.0822 299.5737 -161549.9326 -109062.5163 299.9976 -8.0848 12.0864 759217.2519 4.3505 4.3943 PRESSURE: 2923000 69.5179 313.758 362.341 313.758 29.1196 -63.5496 362.341 -63.5493 -152.817 GPRESSURE: 2923000 162.752 390.801 368.966 208.66 13.2138 -18.6191 241.416 -18.0381 -160.647 PRESSAVG: 2923000 73.6873 -8.40333 1.18135 -8.40331 -18.4664 21.1628 1.18137 21.1627 -19.8251 GPRESSAVG: 2923000 72.0342 -9.67686 1.1432 -8.77445 -17.3243 20.5308 -0.632325 22.5684 -19.3106 TIMING: 2923000 CPU: 9306.79, 0.00312585/step Wall: 9306.79, 0.00312585/step, 1.80344 hours remaining, 233.433594 MB of memory in use. ENERGY: 2923000 4026.3626 20362.3259 14423.5718 236.8843 -203521.6369 2484.6497 0.0000 0.0000 52532.4294 -109455.4131 301.9046 -161987.8425 -109084.1371 299.8134 -18.0600 5.1063 759421.9088 11.7986 11.7998 PRESSURE: 2923200 225.454 -95.7198 -126.291 -95.7202 315.201 120.74 -126.292 120.74 42.0655 GPRESSURE: 2923200 233.213 -228.871 -110.876 -50.1676 347.314 111.259 -47.2706 84.8115 104.059 PRESSAVG: 2923200 42.9525 8.58349 23.8247 8.58352 -19.4233 -20.427 23.8247 -20.4269 -12.0997 GPRESSAVG: 2923200 43.3351 7.16989 22.5078 12.0486 -20.6023 -21.8509 25.7198 -18.3268 -11.5746 TIMING: 2923200 CPU: 9307.42, 0.00312714/step Wall: 9307.42, 0.00312713/step, 1.80401 hours remaining, 233.433594 MB of memory in use. ENERGY: 2923200 3967.8009 20417.5450 14519.3835 260.2456 -203421.2582 2620.6610 0.0000 0.0000 52209.9675 -109425.6547 300.0514 -161635.6222 -109053.3875 300.2006 194.2402 228.1952 760662.5369 3.8098 3.7194 PRESSURE: 2923400 -157.13 -195.44 -34.9726 -195.44 33.7818 -15.1688 -34.9724 -15.1687 -35.3142 GPRESSURE: 2923400 -162.416 -162.655 -1.84848 -273.696 93.8011 -43.8392 94.3319 -3.67116 17.0647 PRESSAVG: 2923400 -3.08009 -43.588 -2.65654 -43.5881 -1.68008 4.95605 -2.65652 4.95605 41.8575 GPRESSAVG: 2923400 -3.31519 -41.7999 -1.49318 -46.5404 -0.0171631 7.59193 -5.9568 2.32475 40.5865 TIMING: 2923400 CPU: 9308.05, 0.0031498/step Wall: 9308.05, 0.0031498/step, 1.81691 hours remaining, 233.433594 MB of memory in use. ENERGY: 2923400 4025.2104 20369.5355 14502.9574 257.0697 -203246.3596 2401.4030 0.0000 0.0000 52085.4875 -109604.6960 299.3360 -161690.1835 -109234.8428 299.5684 -52.8874 -17.1836 758737.7934 12.3658 12.4180 PRESSURE: 2923600 12.491 78.6859 143.464 78.6857 -93.68 -103.211 143.464 -103.211 -226.022 GPRESSURE: 2923600 45.0477 70.7537 171.168 71.0286 -47.6535 -152.543 173.248 -72.3606 -202.271 PRESSAVG: 2923600 30.3576 -10.0337 -4.64446 -10.0337 -47.5854 -37.4651 -4.64448 -37.465 -16.7028 GPRESSAVG: 2923600 30.8825 -12.0183 -5.40506 -8.10614 -48.0719 -38.0745 -2.08491 -37.9848 -16.3325 TIMING: 2923600 CPU: 9308.67, 0.00313278/step Wall: 9308.67, 0.00313278/step, 1.80692 hours remaining, 233.433594 MB of memory in use. ENERGY: 2923600 4083.1778 20573.8539 14486.6167 248.8096 -203324.9614 2207.3255 0.0000 0.0000 52041.2378 -109683.9400 299.0817 -161725.1779 -109328.0697 299.2137 -102.4037 -68.2922 759035.9610 -11.3102 -11.1740 PRESSURE: 2923800 -282.86 -147.424 169.559 -147.424 -234.595 68.5376 169.558 68.5373 -149.904 GPRESSURE: 2923800 -130.368 -88.3595 230.037 -211.865 -309.752 46.3691 170.738 156.021 -148.613 PRESSAVG: 2923800 67.4765 -28.6615 44.6511 -28.6616 -75.935 -22.4128 44.6511 -22.4129 14.6928 GPRESSAVG: 2923800 68.9007 -25.2998 44.3476 -29.9959 -77.6036 -21.4112 44.2351 -21.1396 14.9803 TIMING: 2923800 CPU: 9309.3, 0.00313111/step Wall: 9309.3, 0.00313111/step, 1.80578 hours remaining, 233.433594 MB of memory in use. ENERGY: 2923800 4070.4775 20583.4445 14453.8804 255.2619 -203281.4092 2269.4496 0.0000 0.0000 51916.1671 -109732.7283 298.3629 -161648.8953 -109370.9580 299.1516 -222.4528 -196.2444 760138.3518 2.0781 2.0925 PRESSURE: 2924000 11.1503 -115.66 133.977 -115.661 -22.1216 -67.3881 133.976 -67.3882 76.9492 GPRESSURE: 2924000 92.283 -33.9906 80.0019 -209.141 -38.2178 -19.6402 32.0727 -71.1212 93.9202 PRESSAVG: 2924000 -2.02944 -53.4747 -32.9021 -53.4746 -22.6326 14.9837 -32.9021 14.9837 -24.5276 GPRESSAVG: 2924000 -3.50029 -54.2508 -31.66 -52.0303 -20.9145 14.2479 -33.8941 15.6641 -25.0357 TIMING: 2924000 CPU: 9309.93, 0.00312844/step Wall: 9309.93, 0.00312844/step, 1.80407 hours remaining, 233.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2924000 3980.2560 20573.3449 14461.7893 235.9080 -203151.9033 2262.1491 0.0000 0.0000 51999.6165 -109638.8395 298.8425 -161638.4561 -109277.6806 298.9477 21.9926 49.3285 760552.6225 -16.3965 -16.4835 PRESSURE: 2924200 13.806 -124.617 -83.4791 -124.616 -472.961 -131.991 -83.4787 -131.992 -283.976 GPRESSURE: 2924200 -6.50901 -95.0075 -86.8167 -122.806 -355.376 -28.3089 -134.515 50.8585 -305.832 PRESSAVG: 2924200 5.1583 -46.1025 -21.0391 -46.1025 16.5929 12.6549 -21.039 12.655 4.84316 GPRESSAVG: 2924200 6.67638 -45.8183 -22.0584 -47.8142 15.8566 13.9534 -18.1877 12.9356 4.20045 TIMING: 2924200 CPU: 9310.55, 0.00313823/step Wall: 9310.55, 0.00313823/step, 1.80954 hours remaining, 233.433594 MB of memory in use. ENERGY: 2924200 3969.7498 20535.9153 14499.6905 239.2671 -203453.9844 2379.5809 0.0000 0.0000 52220.9216 -109608.8591 300.1144 -161829.7807 -109241.9471 299.8079 -247.7103 -222.5723 759294.0740 8.8648 8.9111 LDB: ============= START OF LOAD BALANCING ============== 9322.97 LDB: ============== END OF LOAD BALANCING =============== 9322.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9322.97 LDB: ============= START OF LOAD BALANCING ============== 9323.29 LDB: Largest compute 7034 load 0.030861 is 15.8% of average load 0.195494 LDB: Average compute 0.004380 is 2.2% of average load 0.195494 LDB: TIME 9323.29 LOAD: AVG 0.195494 MAX 0.215417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.266 MB LDB: TIME 9323.29 LOAD: AVG 0.195494 MAX 0.215417 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: TIME 9323.29 LOAD: AVG 0.195494 MAX 0.215417 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: ============== END OF LOAD BALANCING =============== 9323.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9323.3 PRESSURE: 2924400 56.5643 -12.789 146.118 -12.7894 -5.12991 255.078 146.118 255.079 -133.028 GPRESSURE: 2924400 154.791 -11.1831 153.554 21.8137 -21.6314 303.037 71.3121 105.212 -144.988 PRESSAVG: 2924400 42.6644 11.6223 34.1258 11.6223 -22.0458 48.5888 34.1259 48.5887 -10.9814 GPRESSAVG: 2924400 41.8284 11.342 36.6506 13.1801 -22.2466 46.1573 31.109 48.8974 -10.2185 TIMING: 2924400 CPU: 9311.19, 0.00319748/step Wall: 9311.19, 0.00319748/step, 1.84353 hours remaining, 234.558594 MB of memory in use. ENERGY: 2924400 3943.3594 20589.0844 14485.6493 253.3483 -203795.6680 2730.1006 0.0000 0.0000 52331.7859 -109462.3400 300.7515 -161794.1258 -109097.3094 300.2335 -27.1977 -3.9430 758526.9878 3.2124 3.1211 PRESSURE: 2924600 -456.913 -186.812 -98.1796 -186.812 -236.127 143.457 -98.1796 143.458 -148.658 GPRESSURE: 2924600 -330.429 -222.365 -20.711 -179.048 -283.009 168.674 -62.3449 53.0542 -143.604 PRESSAVG: 2924600 -19.0749 -18.9637 32.9645 -18.9637 24.8581 -48.3482 32.9645 -48.3482 -3.03772 GPRESSAVG: 2924600 -17.9994 -19.4573 31.378 -18.727 24.8928 -47.0818 35.5286 -49.407 -4.04026 TIMING: 2924600 CPU: 9311.82, 0.00314099/step Wall: 9311.82, 0.00314099/step, 1.81078 hours remaining, 234.898438 MB of memory in use. ENERGY: 2924600 4018.2276 20606.6049 14451.4957 254.0930 -203399.0668 2199.4870 0.0000 0.0000 52494.7602 -109374.3984 301.6881 -161869.1585 -109004.5578 300.1052 -280.5658 -252.3475 759063.1165 0.9152 0.9510 PRESSURE: 2924800 306.411 -186.092 89.6496 -186.091 136.672 -235.709 89.6496 -235.71 403.923 GPRESSURE: 2924800 302.953 -206.696 110.207 -162.638 226.213 -275.972 27.9252 -109.523 414.362 PRESSAVG: 2924800 -22.9104 -71.7186 35.3713 -71.7187 11.0767 -13.8966 35.3713 -13.8965 38.5381 GPRESSAVG: 2924800 -23.1973 -71.5441 35.1839 -70.8642 11.0389 -16.3958 34.3673 -12.3331 39.0457 TIMING: 2924800 CPU: 9312.45, 0.00312983/step Wall: 9312.45, 0.00312983/step, 1.80418 hours remaining, 234.914062 MB of memory in use. ENERGY: 2924800 3948.9838 20614.0436 14427.4376 236.9343 -203205.2195 2522.7593 0.0000 0.0000 52057.6647 -109397.3962 299.1761 -161455.0609 -109031.9433 300.5970 282.3353 314.5097 758796.3721 8.9015 8.9625 PRESSURE: 2925000 -286.201 -110.587 103.443 -110.586 -184.335 36.2405 103.443 36.2404 361.721 GPRESSURE: 2925000 -184.916 -79.0987 67.2404 -171.901 -150.01 23.2657 1.75157 -67.2905 326.968 PRESSAVG: 2925000 -12.8568 -98.4189 23.7519 -98.4189 24.8315 0.024708 23.7519 0.0246312 13.0134 GPRESSAVG: 2925000 -12.1277 -97.0161 22.8398 -99.9185 24.1942 2.07903 24.8679 -1.6361 12.8788 TIMING: 2925000 CPU: 9313.07, 0.00313226/step Wall: 9313.07, 0.00313226/step, 1.8054 hours remaining, 234.914062 MB of memory in use. ENERGY: 2925000 3964.9149 20510.3980 14466.7169 248.8364 -203234.9767 2520.6310 0.0000 0.0000 52044.7702 -109478.7092 299.1020 -161523.4794 -109120.6506 299.5958 -36.2715 -2.6528 759095.4994 8.3294 8.3151 PRESSURE: 2925200 456.688 -30.2583 -45.2322 -30.2575 -136.417 -23.9306 -45.2317 -23.9312 85.2133 GPRESSURE: 2925200 409.057 49.6844 -68.478 -14.681 -54.1991 -5.09304 72.639 36.613 133.122 PRESSAVG: 2925200 22.2525 -36.408 -9.23657 -36.4081 20.0573 24.2371 -9.2366 24.2371 5.93115 GPRESSAVG: 2925200 21.6628 -38.5352 -7.71783 -37.9477 20.3849 24.095 -11.9246 24.5389 5.91789 TIMING: 2925200 CPU: 9313.7, 0.00311746/step Wall: 9313.7, 0.00311746/step, 1.79669 hours remaining, 234.914062 MB of memory in use. ENERGY: 2925200 4047.0576 20511.9056 14414.4452 255.4120 -203451.3319 2505.5605 0.0000 0.0000 52104.9819 -109611.9691 299.4480 -161716.9510 -109249.0179 299.7991 135.1615 162.6599 760562.7396 16.0803 15.9885 PRESSURE: 2925400 -138.474 -80.0611 128.58 -80.0605 14.1456 -22.1941 128.581 -22.1946 -2.37171 GPRESSURE: 2925400 -117 -236.731 145.856 -54.2434 66.7473 -50.9432 75.7795 13.8825 7.73422 PRESSAVG: 2925400 -4.80459 -36.6437 6.29324 -36.6437 7.5863 28.1008 6.2932 28.1007 -18.3527 GPRESSAVG: 2925400 -4.88111 -39.5671 5.99553 -35.5763 7.35037 29.1126 6.06751 28.5321 -18.549 TIMING: 2925400 CPU: 9314.32, 0.00310209/step Wall: 9314.32, 0.00310209/step, 1.78767 hours remaining, 234.914062 MB of memory in use. ENERGY: 2925400 3957.7491 20462.1491 14437.5560 249.7178 -203000.4629 2198.1584 0.0000 0.0000 52098.6354 -109596.4970 299.4116 -161695.1324 -109228.9442 299.3685 -42.2335 -14.1728 760218.9614 -5.1903 -5.3599 PRESSURE: 2925600 6.02346 -24.2422 -50.3368 -24.2429 112.571 -39.1538 -50.3371 -39.1535 -211.095 GPRESSURE: 2925600 -19.3823 31.2789 -82.9809 -86.7721 154.979 40.6194 -131.635 -51.6913 -143.859 PRESSAVG: 2925600 25.0922 -3.72052 -2.87172 -3.72051 -37.7446 -7.67221 -2.87176 -7.6722 -11.8027 GPRESSAVG: 2925600 26.1792 0.416791 -2.53533 -4.15938 -38.1118 -9.29201 -2.1198 -8.1411 -12.1708 TIMING: 2925600 CPU: 9314.94, 0.00311558/step Wall: 9314.94, 0.00311558/step, 1.79527 hours remaining, 234.914062 MB of memory in use. ENERGY: 2925600 4062.4380 20427.0326 14439.6021 237.5353 -203367.7917 2441.6921 0.0000 0.0000 51952.7632 -109806.7283 298.5732 -161759.4915 -109441.8370 299.1705 -30.8336 -2.7543 759758.5928 -8.1517 -8.0345 PRESSURE: 2925800 -265.375 -166.04 121.582 -166.041 -12.0704 -166.367 121.582 -166.368 -39.5106 GPRESSURE: 2925800 -189.209 -280.813 135.979 -241.075 25.1975 -218.238 88.1166 -64.7177 -82.3333 PRESSAVG: 2925800 -24.3551 -34.6498 10.4445 -34.6499 55.5929 7.37979 10.4446 7.37971 2.89964 GPRESSAVG: 2925800 -24.1147 -38.0962 10.5123 -34.9628 55.3386 7.19605 11.3338 7.44034 2.92367 TIMING: 2925800 CPU: 9315.57, 0.00312612/step Wall: 9315.57, 0.00312612/step, 1.80117 hours remaining, 234.914062 MB of memory in use. ENERGY: 2925800 3990.7344 20400.6073 14526.0862 226.8272 -203847.5754 2780.9270 0.0000 0.0000 52111.5487 -109810.8446 299.4858 -161922.3933 -109452.6865 298.8600 -105.6519 -82.1148 760820.9690 11.3791 11.3825 PRESSURE: 2926000 -316.006 65.0357 349.861 65.0365 -92.7678 -19.9719 349.861 -19.971 282.115 GPRESSURE: 2926000 -250.679 -81.6697 325.953 52.5169 -56.9446 -75.0001 235.686 -88.0417 259.104 PRESSAVG: 2926000 -52.3078 10.4481 45.264 10.4481 -39.1947 6.82181 45.264 6.82179 -10.9041 GPRESSAVG: 2926000 -53.434 12.8429 45.7242 11.599 -38.8427 7.64126 43.4854 8.13235 -9.94525 TIMING: 2926000 CPU: 9316.19, 0.00313337/step Wall: 9316.19, 0.00313337/step, 1.80517 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2926000 3989.0220 20401.2024 14469.3566 272.2067 -203302.6002 2446.7470 0.0000 0.0000 52058.7803 -109665.2851 299.1825 -161724.0655 -109300.8848 298.8703 -42.2197 -16.1732 759771.6172 -34.1356 -34.0740 PRESSURE: 2926200 129.718 129.595 -149.003 129.594 458.517 -73.8124 -149.003 -73.8139 300.699 GPRESSURE: 2926200 184.451 177.603 -157.929 148.381 450.618 -25.8718 -77.1682 27.2635 355.007 PRESSAVG: 2926200 -35.8098 -9.59734 -26.8079 -9.59732 -7.1341 5.84778 -26.8079 5.84774 -2.82758 GPRESSAVG: 2926200 -36.0208 -10.612 -25.9982 -9.39489 -7.33937 5.36327 -25.3855 7.21803 -2.39903 TIMING: 2926200 CPU: 9316.81, 0.00311019/step Wall: 9316.81, 0.00311019/step, 1.79164 hours remaining, 234.968750 MB of memory in use. ENERGY: 2926200 4004.6443 20459.0013 14549.3102 242.3807 -203613.2524 2563.8797 0.0000 0.0000 52126.5283 -109667.5079 299.5719 -161794.0362 -109304.3047 299.4422 296.3114 330.0255 759007.5962 -15.2572 -15.2531 PRESSURE: 2926400 155.315 -33.6056 129.938 -33.6055 128.2 -70.7578 129.938 -70.7585 475.922 GPRESSURE: 2926400 132.172 -60.6235 73.173 -31.3993 256.179 -73.8224 117.647 -47.2962 464.751 PRESSAVG: 2926400 -17.1511 -6.96145 -23.3792 -6.96145 23.9361 -9.84725 -23.3792 -9.84727 3.57065 GPRESSAVG: 2926400 -16.284 -5.9034 -24.3975 -6.56198 23.9479 -8.63171 -23.1402 -11.9806 2.44228 TIMING: 2926400 CPU: 9317.44, 0.0031161/step Wall: 9317.44, 0.0031161/step, 1.79488 hours remaining, 234.968750 MB of memory in use. ENERGY: 2926400 3982.3977 20446.9598 14464.1855 257.5431 -203795.8245 2755.2195 0.0000 0.0000 52131.5650 -109757.9540 299.6008 -161889.5190 -109393.0157 298.9155 253.1458 284.3673 760278.7400 3.4519 3.3687 PRESSURE: 2926600 -241.259 49.7289 -196.938 49.7295 -126.405 28.3384 -196.937 28.3386 172.603 GPRESSURE: 2926600 -141.788 -59.4175 -115.69 -72.8271 -59.7783 99.3633 -142.845 -91.8292 110.214 PRESSAVG: 2926600 25.2398 18.6776 -14.6937 18.6776 -52.1288 -9.75313 -14.6938 -9.75306 -19.6911 GPRESSAVG: 2926600 25.8425 17.9621 -13.8505 18.7298 -52.257 -11.48 -14.5337 -8.53542 -20.4833 TIMING: 2926600 CPU: 9318.06, 0.00311402/step Wall: 9318.06, 0.00311402/step, 1.7935 hours remaining, 234.968750 MB of memory in use. ENERGY: 2926600 4019.9883 20357.2203 14446.6075 230.3311 -203298.3515 2543.7760 0.0000 0.0000 52024.7087 -109675.7195 298.9867 -161700.4282 -109322.6915 298.6488 -65.0205 -30.4509 761170.9033 -15.5267 -15.6326 PRESSURE: 2926800 506.753 126.466 149.282 126.466 208.567 -242.591 149.282 -242.592 434.799 GPRESSURE: 2926800 605.164 115.486 136.074 135.729 231.108 -234.417 153.93 -224.157 412.009 PRESSAVG: 2926800 -18.2206 -0.593368 -2.77265 -0.593369 44.711 -31.8031 -2.77275 -31.8031 -5.57945 GPRESSAVG: 2926800 -17.5591 -1.07086 -1.94356 -1.30775 43.2246 -29.2035 -3.11809 -34.3766 -4.41 TIMING: 2926800 CPU: 9318.69, 0.00312969/step Wall: 9318.69, 0.00312969/step, 1.80235 hours remaining, 234.968750 MB of memory in use. ENERGY: 2926800 4031.0937 20492.1034 14508.7554 233.0214 -203462.5553 2762.6362 0.0000 0.0000 51957.8534 -109477.0918 298.6025 -161434.9452 -109121.8340 298.9046 383.3731 416.0938 759883.8087 6.9703 7.0852 PRESSURE: 2927000 227.541 -114.509 -76.9973 -114.508 83.9951 -353.412 -76.9967 -353.413 -131.493 GPRESSURE: 2927000 188.928 -49.32 -62.906 -103.344 152.186 -266.079 -49.9124 -173.956 -86.5232 PRESSAVG: 2927000 11.1352 1.68003 -24.6581 1.67999 -44.2756 -7.46802 -24.6582 -7.46804 12.0382 GPRESSAVG: 2927000 10.3805 2.22392 -26.1235 1.71352 -42.3395 -10.2358 -23.9461 -4.69883 11.5663 TIMING: 2927000 CPU: 9319.31, 0.00313104/step Wall: 9319.31, 0.00313104/step, 1.80296 hours remaining, 234.968750 MB of memory in use. ENERGY: 2927000 3945.1704 20428.9955 14467.6471 247.3553 -203426.7082 2487.4429 0.0000 0.0000 52214.6758 -109635.4214 300.0785 -161850.0972 -109280.4056 299.3257 60.0142 84.8636 760922.1315 -7.0341 -6.7976 PRESSURE: 2927200 -56.2425 -104.546 -38.8733 -104.546 78.1715 -41.9176 -38.8739 -41.9181 450.408 GPRESSURE: 2927200 -66.719 -112.133 21.8922 -155.195 112.456 -63.0064 -79.7108 -115.185 525.834 PRESSAVG: 2927200 7.40722 -40.8808 -28.8448 -40.8807 6.0438 -24.244 -28.8448 -24.2439 6.10643 GPRESSAVG: 2927200 6.11878 -40.7335 -29.0157 -43.1277 6.56032 -23.3651 -28.711 -26.3215 7.0447 TIMING: 2927200 CPU: 9319.94, 0.00312286/step Wall: 9319.94, 0.00312286/step, 1.79807 hours remaining, 234.968750 MB of memory in use. ENERGY: 2927200 3930.3454 20435.4550 14532.1959 246.1078 -203248.0185 2646.7752 0.0000 0.0000 51830.4765 -109626.6627 297.8705 -161457.1392 -109269.3675 299.3118 157.4457 190.5236 759504.4914 6.5191 6.5746 PRESSURE: 2927400 -25.5805 138.624 -111.814 138.624 299.697 -9.70493 -111.815 -9.70494 42.2369 GPRESSURE: 2927400 -90.7995 181.638 -112.156 207.996 342.981 -72.0085 -60.0905 24.7017 132.066 PRESSAVG: 2927400 33.5887 9.78944 4.86909 9.7894 -47.2117 -23.0861 4.86909 -23.0861 20.2961 GPRESSAVG: 2927400 34.557 9.84016 6.12148 12.6984 -47.8941 -23.4406 4.90314 -22.362 19.627 TIMING: 2927400 CPU: 9320.56, 0.00312757/step Wall: 9320.56, 0.00312757/step, 1.80061 hours remaining, 234.968750 MB of memory in use. ENERGY: 2927400 3950.0415 20543.3969 14386.7950 247.5675 -203236.0382 2390.4224 0.0000 0.0000 52189.1661 -109528.6487 299.9319 -161717.8148 -109172.0458 299.6215 105.4511 128.0825 761168.4997 2.2244 2.0966 PRESSURE: 2927600 418.843 -236.817 37.316 -236.818 24.6208 93.9638 37.315 93.9642 201.652 GPRESSURE: 2927600 402.619 -182.345 49.6096 -110.149 77.0078 95.4322 69.1023 114.626 248.628 PRESSAVG: 2927600 22.5524 -14.8698 46.4513 -14.8698 -8.17643 -21.3803 46.4514 -21.3802 -20.9451 GPRESSAVG: 2927600 21.4769 -16.0434 45.1822 -15.2348 -7.13826 -19.7788 46.5135 -19.5714 -21.0315 TIMING: 2927600 CPU: 9321.19, 0.00313363/step Wall: 9321.19, 0.00313363/step, 1.80393 hours remaining, 234.968750 MB of memory in use. ENERGY: 2927600 3950.9164 20421.0789 14377.9469 217.4232 -203167.0447 2654.3068 0.0000 0.0000 52065.6128 -109479.7598 299.2218 -161545.3726 -109117.0344 299.8098 215.0386 242.7515 761374.4328 -2.1897 -2.2310 PRESSURE: 2927800 -110.352 -73.9487 -43.587 -73.949 -38.2307 29.4838 -43.5874 29.4839 -249.251 GPRESSURE: 2927800 -78.7491 -61.1921 -67.1223 31.8483 -27.1052 9.33102 -97.2885 -53.4091 -206.244 PRESSAVG: 2927800 35.5992 -74.0697 -13.1167 -74.0697 -31.9871 55.149 -13.1167 55.149 2.64989 GPRESSAVG: 2927800 35.7702 -71.9593 -12.3918 -73.8933 -34.2218 53.8191 -13.1362 55.172 4.22134 TIMING: 2927800 CPU: 9321.82, 0.00313812/step Wall: 9321.82, 0.00313812/step, 1.80634 hours remaining, 234.968750 MB of memory in use. ENERGY: 2927800 4069.4451 20459.8274 14415.9819 230.2952 -203283.9237 2411.0925 0.0000 0.0000 52095.9995 -109601.2821 299.3964 -161697.2816 -109245.5009 299.5603 -132.6112 -104.0327 760028.5624 2.0873 1.9232 PRESSURE: 2928000 -162.278 -41.1095 34.9048 -41.1101 313.51 -53.8159 34.9046 -53.8171 399.951 GPRESSURE: 2928000 -80.7964 18.0977 -53.5747 -137.929 233.936 -61.3103 0.751154 -0.802479 489.586 PRESSAVG: 2928000 28.8111 -36.8308 48.053 -36.8308 -2.51866 -6.36398 48.053 -6.36405 4.61191 GPRESSAVG: 2928000 30.1954 -36.3266 47.7335 -36.5259 -1.92894 -5.97219 46.977 -9.53962 3.14457 TIMING: 2928000 CPU: 9322.45, 0.00314407/step Wall: 9322.45, 0.00314407/step, 1.80958 hours remaining, 234.968750 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: 2928000 3995.6217 20349.5851 14440.6326 245.2630 -203179.2366 2283.7948 0.0000 0.0000 52289.4256 -109574.9138 300.5080 -161864.3394 -109210.5495 298.9818 183.7279 214.2420 757547.4790 10.3014 10.4704 PRESSURE: 2928200 69.1656 -79.7879 160.759 -79.7886 84.5295 19.1128 160.76 19.112 704.956 GPRESSURE: 2928200 148.96 -31.602 196.995 -155.989 119.584 70.1496 258.943 88.1514 685.083 PRESSAVG: 2928200 1.91693 -85.0126 -14.5944 -85.0126 -28.1046 -45.5602 -14.5944 -45.5601 -3.81018 GPRESSAVG: 2928200 2.52708 -86.3869 -14.9765 -84.8083 -28.1944 -45.3032 -14.1979 -45.6141 -4.47364 TIMING: 2928200 CPU: 9323.07, 0.00311285/step Wall: 9323.07, 0.00311285/step, 1.79145 hours remaining, 234.968750 MB of memory in use. ENERGY: 2928200 4004.4762 20420.9508 14466.7033 243.6349 -203356.2774 2642.8576 0.0000 0.0000 52120.9169 -109456.7377 299.5396 -161577.6546 -109093.0088 299.0067 286.2169 317.8755 760219.3987 -9.9993 -10.0470 LDB: ============= START OF LOAD BALANCING ============== 9335.49 LDB: ============== END OF LOAD BALANCING =============== 9335.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.49 LDB: ============= START OF LOAD BALANCING ============== 9335.8 LDB: Largest compute 7075 load 0.029745 is 15.2% of average load 0.195471 LDB: Average compute 0.004384 is 2.2% of average load 0.195471 LDB: TIME 9335.8 LOAD: AVG 0.195471 MAX 0.217555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.348 MB LDB: TIME 9335.81 LOAD: AVG 0.195471 MAX 0.217555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 9335.81 LOAD: AVG 0.195471 MAX 0.217555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 9335.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.81 PRESSURE: 2928400 -214.893 19.5971 38.6559 19.5979 -123.669 -38.2456 38.6559 -38.2464 422.205 GPRESSURE: 2928400 -220.518 16.4911 -24.9836 26.4354 -149.645 -108.605 -65.2614 -15.1241 518.19 PRESSAVG: 2928400 20.0629 -50.244 13.5585 -50.2441 -42.9183 -0.896278 13.5585 -0.896379 17.9906 GPRESSAVG: 2928400 18.8567 -47.9994 14.2417 -50.5916 -43.001 -3.22381 13.4071 2.0698 19.7351 TIMING: 2928400 CPU: 9323.71, 0.00318681/step Wall: 9323.71, 0.00318681/step, 1.83383 hours remaining, 233.351562 MB of memory in use. ENERGY: 2928400 3994.0421 20362.5480 14505.7973 240.6506 -203465.3736 2703.6241 0.0000 0.0000 52129.2153 -109529.4963 299.5873 -161658.7116 -109166.2511 299.4550 27.8810 49.3420 758964.6801 -1.6216 -1.4697 PRESSURE: 2928600 -155.307 99.2976 19.177 99.2977 -74.6023 -84.9804 19.1765 -84.9805 276.897 GPRESSURE: 2928600 -97.9563 106.499 -5.29074 -24.2839 -40.8358 -83.4702 -11.2984 -61.9569 269.974 PRESSAVG: 2928600 44.9139 -94.9878 36.9058 -94.9878 -51.5337 -13.3045 36.9058 -13.3046 -7.61475 GPRESSAVG: 2928600 45.2883 -97.3398 36.0162 -95.4089 -51.964 -11.2588 36.1183 -15.7599 -7.23671 TIMING: 2928600 CPU: 9324.33, 0.00310383/step Wall: 9324.33, 0.00310383/step, 1.78591 hours remaining, 233.625000 MB of memory in use. ENERGY: 2928600 3918.1026 20481.6846 14473.0511 267.5209 -203062.5599 2351.5847 0.0000 0.0000 52036.1092 -109534.5069 299.0522 -161570.6161 -109166.2819 299.5536 15.6624 43.7271 758500.1825 -4.7449 -4.6375 PRESSURE: 2928800 -272.805 288.09 40.5005 288.09 -38.4551 -262.549 40.5004 -262.549 -38.0336 GPRESSURE: 2928800 -321.313 226.252 72.6356 240.279 87.2056 -235.7 74.16 -161.772 -52.4116 PRESSAVG: 2928800 -48.284 -50.528 -40.8959 -50.528 22.8717 -33.9991 -40.8959 -33.9991 8.94332 GPRESSAVG: 2928800 -47.9223 -51.3512 -38.7861 -50.3814 23.2952 -33.9539 -40.8188 -33.9352 9.48543 TIMING: 2928800 CPU: 9324.95, 0.00312467/step Wall: 9324.95, 0.00312467/step, 1.79773 hours remaining, 233.625000 MB of memory in use. ENERGY: 2928800 3929.3015 20628.6495 14539.5416 261.4277 -202994.9860 2211.1779 0.0000 0.0000 51890.3834 -109534.5043 298.2147 -161424.8877 -109184.1075 299.4476 -116.4311 -95.5064 758503.1127 -5.4897 -5.0472 PRESSURE: 2929000 -297.513 -190.178 108.226 -190.178 -41.5571 -30.8627 108.225 -30.8621 326.088 GPRESSURE: 2929000 -191.705 -191.883 147.195 -141.002 2.70839 -37.725 181.58 81.799 245.335 PRESSAVG: 2929000 -2.18885 -30.8758 4.73154 -30.8758 19.0022 -40.3915 4.73155 -40.3915 -18.2984 GPRESSAVG: 2929000 -2.97797 -30.3795 5.27524 -30.5495 19.522 -39.2603 3.8278 -41.0941 -18.061 TIMING: 2929000 CPU: 9325.58, 0.00312083/step Wall: 9325.58, 0.00312083/step, 1.79534 hours remaining, 233.625000 MB of memory in use. ENERGY: 2929000 3951.8062 20517.2994 14416.5277 237.4078 -203085.6328 2375.8944 0.0000 0.0000 52080.8999 -109505.7973 299.3096 -161586.6973 -109137.8229 299.7132 -4.3275 18.7796 759447.2278 -0.4950 -0.5057 PRESSURE: 2929200 -223.878 17.6313 -16.067 17.6322 27.9777 -149.447 -16.0662 -149.448 -115.572 GPRESSURE: 2929200 -103.976 -123.675 7.20067 48.6228 -30.4254 -117.174 -86.1289 -69.4801 -85.2969 PRESSAVG: 2929200 -73.7205 -39.157 -25.8258 -39.157 50.7595 76.1999 -25.8257 76.1998 2.51487 GPRESSAVG: 2929200 -72.5676 -38.1633 -26.9475 -37.7206 50.4009 75.015 -25.4302 78.2223 2.2541 TIMING: 2929200 CPU: 9326.2, 0.00311595/step Wall: 9326.2, 0.00311595/step, 1.79236 hours remaining, 233.625000 MB of memory in use. ENERGY: 2929200 3933.2093 20490.7117 14583.8088 230.5108 -202690.9999 1930.9599 0.0000 0.0000 51919.2023 -109602.5971 298.3804 -161521.7994 -109241.2863 299.7403 -103.8242 -73.2326 758470.4509 -6.8154 -6.6375 PRESSURE: 2929400 -166.018 86.4674 -35.6473 86.4677 -165.221 -70.1328 -35.6473 -70.1324 -306.372 GPRESSURE: 2929400 -218.233 192.653 -44.836 94.986 -35.9682 -47.7381 -60.5831 -97.3648 -293.312 PRESSAVG: 2929400 -3.17075 5.0179 9.2255 5.0179 17.6156 -36.3799 9.22554 -36.3799 -41.8796 GPRESSAVG: 2929400 -5.36795 4.6624 8.23355 1.43741 18.5603 -35.7891 9.70878 -36.7223 -40.501 TIMING: 2929400 CPU: 9326.83, 0.00315377/step Wall: 9326.83, 0.00315377/step, 1.81394 hours remaining, 233.625000 MB of memory in use. ENERGY: 2929400 4043.7798 20473.0047 14551.3423 243.2436 -203055.8970 2185.8222 0.0000 0.0000 51983.8243 -109574.8802 298.7518 -161558.7045 -109210.9466 299.5955 -212.5373 -182.5045 759668.4482 -9.1449 -9.1029 PRESSURE: 2929600 -27.0543 -14.8486 -29.2402 -14.8485 46.3221 43.5354 -29.2391 43.5344 -194.31 GPRESSURE: 2929600 -3.0383 -17.0369 -55.2049 16.8667 -3.58635 82.4945 -26.1296 41.8728 -97.547 PRESSAVG: 2929600 7.55243 -5.99207 26.3535 -5.99214 14.065 2.49532 26.3535 2.49533 -12.8663 GPRESSAVG: 2929600 8.08308 -6.00948 27.4784 -2.5388 13.7534 2.90268 25.6491 0.277935 -13.7109 TIMING: 2929600 CPU: 9327.45, 0.0031242/step Wall: 9327.45, 0.0031242/step, 1.79676 hours remaining, 233.625000 MB of memory in use. ENERGY: 2929600 3948.6753 20407.3049 14598.2981 232.5680 -203512.9213 2503.8637 0.0000 0.0000 52174.8707 -109647.3405 299.8497 -161822.2112 -109284.2109 299.5129 -58.3474 -34.7239 759933.2360 2.9170 2.7085 PRESSURE: 2929800 224.975 -32.3524 -106.856 -32.3525 -83.8629 233.511 -106.857 233.51 85.5021 GPRESSURE: 2929800 210.907 -58.3875 -110.73 -3.59734 -41.3968 292.389 -74.147 252.958 153.179 PRESSAVG: 2929800 14.7474 -25.398 -55.8169 -25.398 -30.6258 17.9097 -55.8169 17.9096 18.147 GPRESSAVG: 2929800 15.065 -24.5065 -55.8834 -25.1285 -31.0892 17.0159 -53.6199 17.7266 18.0463 TIMING: 2929800 CPU: 9328.08, 0.00312118/step Wall: 9328.08, 0.00312118/step, 1.79485 hours remaining, 233.625000 MB of memory in use. ENERGY: 2929800 3983.3105 20532.4789 14500.5408 245.3035 -203443.9284 2523.1586 0.0000 0.0000 52081.5793 -109577.5568 299.3136 -161659.1361 -109211.0735 299.4088 75.5380 107.5632 759067.3195 0.7562 0.6740 PRESSURE: 2930000 -246.751 183.905 -5.55233 183.906 -92.0194 102.915 -5.55211 102.914 -120.077 GPRESSURE: 2930000 -281.632 198.889 128.205 143.736 45.7653 171.936 0.637072 58.0245 -120.522 PRESSAVG: 2930000 7.35458 -27.5422 -0.311216 -27.5421 2.07125 -18.5769 -0.311227 -18.5769 0.403074 GPRESSAVG: 2930000 6.41545 -28.4563 1.07482 -27.7964 3.6569 -18.1141 -1.30999 -18.6437 0.160361 TIMING: 2930000 CPU: 9328.7, 0.00312587/step Wall: 9328.7, 0.00312587/step, 1.79738 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2930000 4018.7504 20418.5651 14519.2710 238.6513 -203968.9942 2766.4802 0.0000 0.0000 52187.4597 -109819.8165 299.9220 -162007.2762 -109456.6709 299.4903 -152.9492 -118.7963 760217.2441 3.2763 3.4109 PRESSURE: 2930200 -35.6783 278.165 -19.568 278.165 -152.89 -241.297 -19.5676 -241.296 216.759 GPRESSURE: 2930200 -20.562 253.128 -46.6787 123.95 -124.764 -336.475 -228.857 -135.574 256.641 PRESSAVG: 2930200 -3.7057 26.8081 12.3586 26.8081 15.865 -16.8522 12.3586 -16.8522 -12.797 GPRESSAVG: 2930200 -3.51532 27.7785 10.3985 25.4115 15.8611 -16.1834 12.5281 -16.9441 -13.0166 TIMING: 2930200 CPU: 9329.33, 0.00312825/step Wall: 9329.33, 0.00312825/step, 1.79857 hours remaining, 233.625000 MB of memory in use. ENERGY: 2930200 3990.1773 20466.1165 14402.9864 250.9309 -203818.6537 2185.0363 0.0000 0.0000 52522.7807 -110000.6256 301.8491 -162523.4063 -109627.4946 299.3071 9.3967 37.1050 758006.7821 -0.2126 -0.2236 PRESSURE: 2930400 103.855 146.006 113.084 146.006 110.902 -127.043 113.085 -127.043 146.958 GPRESSURE: 2930400 94.0243 71.169 187.908 133.21 195.237 -149.505 57.2908 -210.56 160.86 PRESSAVG: 2930400 10.2723 18.1488 7.34379 18.1488 -8.45948 -28.5389 7.34377 -28.539 15.2515 GPRESSAVG: 2930400 11.4486 16.2453 8.03032 20.2352 -11.1056 -30.6332 7.04482 -28.8919 16.2388 TIMING: 2930400 CPU: 9329.95, 0.00311229/step Wall: 9329.95, 0.00311229/step, 1.78922 hours remaining, 233.625000 MB of memory in use. ENERGY: 2930400 3974.3648 20674.9239 14402.5694 246.9219 -203541.2497 2473.2078 0.0000 0.0000 51855.9212 -109913.3407 298.0167 -161769.2619 -109556.5887 299.1416 120.5716 150.0402 757792.6437 5.6881 5.5273 PRESSURE: 2930600 33.2524 -186.531 -189.599 -186.531 -171.517 -300.598 -189.599 -300.598 178.337 GPRESSURE: 2930600 50.5444 -129.908 -18.6429 -123.967 -134.189 -228.772 -302.58 -223.038 224.689 PRESSAVG: 2930600 -28.2661 -37.9754 -33.8901 -37.9754 -30.7209 -10.0929 -33.89 -10.0929 -12.4241 GPRESSAVG: 2930600 -28.2271 -37.8511 -33.2113 -39.2036 -29.6505 -10.538 -34.1095 -8.28602 -13.5052 TIMING: 2930600 CPU: 9330.58, 0.00312412/step Wall: 9330.58, 0.00312412/step, 1.79585 hours remaining, 233.625000 MB of memory in use. ENERGY: 2930600 4029.8484 20548.6465 14477.1891 254.3486 -203793.4690 2430.7149 0.0000 0.0000 52037.8578 -110014.8637 299.0623 -162052.7215 -109658.3747 299.0874 13.3572 47.0149 757345.3317 -23.8037 -23.7943 PRESSURE: 2930800 205.781 -63.5912 -16.47 -63.5914 233.495 -156.155 -16.4701 -156.155 141.093 GPRESSURE: 2930800 205.988 -39.7842 60.948 -36.5655 261.588 -265.872 -22.7864 -53.5698 195.11 PRESSAVG: 2930800 8.97898 -46.6196 20.6585 -46.6196 -24.8845 -21.8946 20.6585 -21.8946 -16.9884 GPRESSAVG: 2930800 8.04205 -46.0812 21.6367 -47.7152 -24.3724 -21.2096 21.9526 -22.4288 -16.889 TIMING: 2930800 CPU: 9331.2, 0.00310531/step Wall: 9331.2, 0.00310531/step, 1.78486 hours remaining, 233.625000 MB of memory in use. ENERGY: 2930800 3902.8133 20521.3466 14517.6354 260.0360 -203729.1815 2626.8521 0.0000 0.0000 51893.0875 -110007.4105 298.2303 -161900.4980 -109638.3200 298.5125 193.4565 220.8957 757677.6285 -10.9646 -11.0731 PRESSURE: 2931000 192.572 70.6474 161.734 70.6479 -194.388 122.226 161.735 122.225 116.091 GPRESSURE: 2931000 204.337 52.1535 160.044 83.7182 -163.665 107.413 220.355 155.187 166.261 PRESSAVG: 2931000 -13.5978 -14.2775 1.44754 -14.2775 53.6224 0.967853 1.44755 0.967832 -4.07246 GPRESSAVG: 2931000 -14.9485 -13.8676 -0.610245 -13.4057 53.9707 1.3541 1.30248 2.46841 -3.46152 TIMING: 2931000 CPU: 9331.83, 0.00314229/step Wall: 9331.83, 0.00314229/step, 1.80595 hours remaining, 233.625000 MB of memory in use. ENERGY: 2931000 3985.9687 20491.4361 14493.9622 274.2605 -203594.3102 2541.7198 0.0000 0.0000 51963.3334 -109843.6295 298.6340 -161806.9629 -109467.4311 298.7953 38.0915 68.9775 758928.7633 11.9840 11.8535 PRESSURE: 2931200 48.7826 -164.735 144.724 -164.735 -217.295 2.31024 144.724 2.31098 -24.8633 GPRESSURE: 2931200 67.9287 -147.364 126.007 -118.84 -146.961 -116.647 26.2311 -58.4406 -45.1028 PRESSAVG: 2931200 4.55476 9.93756 40.9048 9.93761 -35.0903 11.6011 40.9048 11.601 29.3446 GPRESSAVG: 2931200 6.60493 10.9025 40.5873 9.22002 -37.5927 11.0232 38.2857 9.28702 29.2665 TIMING: 2931200 CPU: 9332.46, 0.00315174/step Wall: 9332.46, 0.00315174/step, 1.8112 hours remaining, 233.625000 MB of memory in use. ENERGY: 2931200 3983.4980 20509.9265 14408.9994 221.8969 -203703.5648 2487.7400 0.0000 0.0000 52333.9982 -109757.5058 300.7642 -162091.5040 -109386.8714 299.1731 -64.4586 -41.3785 758552.4650 -0.3970 -0.5737 PRESSURE: 2931400 -227.033 -147.59 -71.2076 -147.591 -450.014 22.078 -71.2082 22.079 -98.4862 GPRESSURE: 2931400 -197.856 -173.833 -21.9405 -142.697 -438.786 -9.48175 81.5589 141.739 -56.5878 PRESSAVG: 2931400 33.9098 -31.9517 3.98212 -31.9518 -14.8088 -49.3592 3.98209 -49.3592 23.5535 GPRESSAVG: 2931400 32.3965 -32.696 4.04031 -30.7482 -13.2927 -47.3462 7.57019 -50.0493 23.7308 TIMING: 2931400 CPU: 9333.08, 0.00313142/step Wall: 9333.08, 0.00313142/step, 1.79935 hours remaining, 233.625000 MB of memory in use. ENERGY: 2931400 3962.9053 20615.1143 14466.6061 258.9626 -203365.4941 2263.3710 0.0000 0.0000 52276.0445 -109522.4903 300.4311 -161798.5348 -109153.6906 299.5237 -258.5110 -231.0764 759070.4890 14.2182 14.2782 PRESSURE: 2931600 -239.434 349.717 -245.917 349.717 -401.647 -4.41577 -245.917 -4.41536 23.5435 GPRESSURE: 2931600 -159.877 333.094 -172.814 260.456 -373.799 -38.0838 -168.936 9.35443 29.2474 PRESSAVG: 2931600 -38.8017 -37.0406 5.59988 -37.0407 19.4836 32.3669 5.59987 32.3669 17.5878 GPRESSAVG: 2931600 -38.854 -37.0079 5.94031 -37.4621 19.9746 31.9362 4.80486 32.467 16.7565 TIMING: 2931600 CPU: 9333.71, 0.00313899/step Wall: 9333.71, 0.00313899/step, 1.80353 hours remaining, 233.625000 MB of memory in use. ENERGY: 2931600 4010.8259 20504.3748 14424.8570 242.0230 -203402.5189 2449.5545 0.0000 0.0000 52262.4445 -109508.4393 300.3530 -161770.8837 -109132.3800 299.7463 -205.8459 -168.1431 759383.3771 -0.5768 -0.7076 PRESSURE: 2931800 -17.2478 -263.68 106.812 -263.68 452.008 -105.262 106.812 -105.261 -111.091 GPRESSURE: 2931800 38.5903 -158.365 152.725 -119.219 360.103 39.4675 61.9945 -321.02 21.003 PRESSAVG: 2931800 -30.8607 -44.7537 -30.0385 -44.7537 1.25763 30.1001 -30.0384 30.1 -21.0625 GPRESSAVG: 2931800 -29.7879 -44.6135 -30.8363 -43.2684 -0.911905 30.2512 -29.6476 31.5433 -20.3472 TIMING: 2931800 CPU: 9334.34, 0.00311953/step Wall: 9334.34, 0.00311953/step, 1.79217 hours remaining, 233.609375 MB of memory in use. ENERGY: 2931800 4014.0295 20496.9264 14517.7107 246.4824 -203587.2751 2604.0800 0.0000 0.0000 52194.6174 -109513.4287 299.9632 -161708.0461 -109156.3634 299.8892 107.8899 139.8989 758377.0795 -16.8885 -17.0157 PRESSURE: 2932000 -74.7205 249.3 -85.5798 249.3 75.7246 -6.28942 -85.5797 -6.29052 402.051 GPRESSURE: 2932000 3.36659 182.144 -109.221 121.905 98.4963 37.6247 -71.1478 -15.1377 390.187 PRESSAVG: 2932000 -30.8742 -79.7394 -7.8805 -79.7395 37.664 -1.6953 -7.88047 -1.69534 -14.5142 GPRESSAVG: 2932000 -31.0822 -78.8358 -6.34907 -81.4755 39.4575 -1.51277 -8.52822 -2.72318 -15.6184 TIMING: 2932000 CPU: 9334.96, 0.00313871/step Wall: 9334.96, 0.00313871/step, 1.80302 hours remaining, 233.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2932000 3987.6344 20665.3338 14404.9489 228.8513 -203605.1357 2528.9898 0.0000 0.0000 52384.1951 -109405.1825 301.0527 -161789.3776 -109038.5529 299.9339 134.3516 164.0167 758230.7862 -2.5748 -2.4144 PRESSURE: 2932200 339.307 -55.7462 24.1273 -55.7458 338.265 70.7781 24.1274 70.7781 -30.6088 GPRESSURE: 2932200 402.978 -55.0032 -26.7694 37.4652 350.876 19.6547 32.4278 5.15057 -14.0945 PRESSAVG: 2932200 2.12934 -10.8787 3.33615 -10.8787 -8.20951 -19.0652 3.33621 -19.0652 11.642 GPRESSAVG: 2932200 0.683516 -13.2688 1.7379 -9.50861 -7.84622 -19.1639 6.1172 -18.5395 13.0691 TIMING: 2932200 CPU: 9335.59, 0.00311513/step Wall: 9335.59, 0.00311513/step, 1.7893 hours remaining, 233.625000 MB of memory in use. ENERGY: 2932200 3953.2355 20583.6388 14477.9795 250.2149 -203257.6211 2516.8777 0.0000 0.0000 52244.2237 -109231.4511 300.2483 -161475.6748 -108874.0718 300.1877 215.6547 246.5864 757503.8152 1.8540 1.9688 LDB: ============= START OF LOAD BALANCING ============== 9348 LDB: ============== END OF LOAD BALANCING =============== 9348 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.01 LDB: ============= START OF LOAD BALANCING ============== 9348.32 LDB: Largest compute 7075 load 0.030274 is 15.5% of average load 0.195496 LDB: Average compute 0.004391 is 2.2% of average load 0.195496 LDB: TIME 9348.32 LOAD: AVG 0.195496 MAX 0.216171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.586 MB LDB: TIME 9348.32 LOAD: AVG 0.195496 MAX 0.216171 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: TIME 9348.32 LOAD: AVG 0.195496 MAX 0.216171 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: ============== END OF LOAD BALANCING =============== 9348.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.33 PRESSURE: 2932400 -218.21 -124.76 105.67 -124.76 -162.323 152.169 105.67 152.169 -281.569 GPRESSURE: 2932400 -138.853 -115.508 105.308 -63.1813 -205.926 215.076 28.4791 174.685 -237.484 PRESSAVG: 2932400 -6.9353 -49.2064 -8.14707 -49.2064 51.2565 -12.3144 -8.14701 -12.3145 -2.36623 GPRESSAVG: 2932400 -5.57912 -47.3463 -6.19599 -49.9833 48.6437 -12.411 -10.6632 -11.8497 -1.62434 TIMING: 2932400 CPU: 9336.22, 0.00318068/step Wall: 9336.22, 0.00318068/step, 1.82677 hours remaining, 233.359375 MB of memory in use. ENERGY: 2932400 3997.2895 20609.1563 14472.1035 235.5866 -202874.2929 1948.9044 0.0000 0.0000 52462.9576 -109148.2951 301.5053 -161611.2526 -108784.4612 300.3348 -220.7007 -194.0876 759478.6783 13.9850 13.8134 PRESSURE: 2932600 230.604 82.0739 108.785 82.0732 224.079 134.728 108.785 134.727 347.864 GPRESSURE: 2932600 241.256 1.47119 158.719 70.645 301.864 144.882 139.712 182.039 328.163 PRESSAVG: 2932600 -50.9053 -28.353 5.94855 -28.353 22.8152 7.67175 5.94857 7.67178 22.3262 GPRESSAVG: 2932600 -51.3297 -28.8435 4.21441 -30.0844 25.0247 8.95664 5.48727 5.16249 20.5335 TIMING: 2932600 CPU: 9336.85, 0.00311564/step Wall: 9336.85, 0.00311564/step, 1.78924 hours remaining, 233.359375 MB of memory in use. ENERGY: 2932600 3967.2588 20612.0933 14458.9352 233.0144 -203526.2844 2757.2498 0.0000 0.0000 52449.6953 -109048.0376 301.4291 -161497.7329 -108682.7895 300.7589 267.5155 290.4276 759549.3048 -1.9213 -1.9238 PRESSURE: 2932800 169.841 314.84 132.885 314.841 -37.7465 -2.03156 132.885 -2.03224 -334.379 GPRESSURE: 2932800 149.402 331.95 -11.8136 248.704 14.4827 -69.6451 -44.5081 61.1991 -279.785 PRESSAVG: 2932800 15.1077 42.3135 -41.4404 42.3135 -8.74584 -38.727 -41.4404 -38.7269 14.5092 GPRESSAVG: 2932800 14.4648 43.2403 -42.1636 42.9689 -9.76977 -39.0594 -41.0154 -35.6126 16.4362 TIMING: 2932800 CPU: 9337.47, 0.0031264/step Wall: 9337.47, 0.0031264/step, 1.79525 hours remaining, 233.359375 MB of memory in use. ENERGY: 2932800 4038.6861 20703.6345 14443.8890 261.8402 -202926.4966 2386.0022 0.0000 0.0000 52110.0103 -108982.4343 299.4769 -161092.4446 -108626.1831 300.3282 -67.4283 -38.6332 758554.7859 6.9570 7.0437 PRESSURE: 2933000 216.575 -27.5472 -19.7955 -27.5478 251.67 44.8701 -19.795 44.871 188.476 GPRESSURE: 2933000 247.812 -20.7487 70.8649 -154.313 283.724 55.8051 -167.525 5.66738 229.01 PRESSAVG: 2933000 12.0625 2.62789 47.2132 2.62779 9.98385 60.7923 47.2132 60.7922 23.8648 GPRESSAVG: 2933000 12.9593 1.00784 48.3523 1.64604 10.1181 60.4916 45.073 58.7384 23.3286 TIMING: 2933000 CPU: 9338.09, 0.00311327/step Wall: 9338.09, 0.00311327/step, 1.78754 hours remaining, 233.359375 MB of memory in use. ENERGY: 2933000 4009.7357 20576.8469 14363.0586 244.5264 -203178.0416 2600.4140 0.0000 0.0000 52170.4853 -109212.9748 299.8245 -161383.4601 -108856.4464 300.5803 218.9071 253.5151 758702.4524 15.3037 15.4686 PRESSURE: 2933200 -214.962 157.774 212.947 157.774 -36.528 93.6594 212.948 93.6593 -311.126 GPRESSURE: 2933200 -200.989 262.879 171.719 110.664 -45.5816 56.9055 261.461 105.698 -229.707 PRESSAVG: 2933200 -18.4352 28.2973 13.9727 28.2972 -19.2045 -39.412 13.9727 -39.412 -14.4432 GPRESSAVG: 2933200 -18.8332 29.7795 13.1235 29.7009 -19.1325 -40.4117 15.2486 -38.8823 -13.5972 TIMING: 2933200 CPU: 9338.72, 0.00313719/step Wall: 9338.72, 0.00313719/step, 1.8011 hours remaining, 233.359375 MB of memory in use. ENERGY: 2933200 3989.2088 20550.1195 14433.6571 248.6006 -203263.8088 2417.9505 0.0000 0.0000 52454.9664 -109169.3058 301.4594 -161624.2722 -108797.9001 300.4663 -187.5385 -158.7591 760655.2620 -17.3610 -17.1877 PRESSURE: 2933400 159.766 -63.1931 -4.03073 -63.1929 -88.0308 -97.4314 -4.0308 -97.4315 -214.317 GPRESSURE: 2933400 199.183 -52.9643 -0.446942 -90.2795 -63.8836 -102.192 78.5102 -81.4239 -201.848 PRESSAVG: 2933400 34.6616 3.57893 3.66525 3.579 -29.2598 44.9952 3.66519 44.9953 15.6869 GPRESSAVG: 2933400 35.8392 3.07627 4.91566 4.28688 -28.3083 44.5509 2.91491 45.8568 13.004 TIMING: 2933400 CPU: 9339.35, 0.00312228/step Wall: 9339.35, 0.00312228/step, 1.79236 hours remaining, 233.359375 MB of memory in use. ENERGY: 2933400 3887.8497 20566.8830 14407.9125 259.1924 -203315.1572 2537.0024 0.0000 0.0000 52350.3656 -109305.9516 300.8583 -161656.3172 -108936.3309 300.2491 -47.5274 -22.1827 762112.9260 7.0296 6.8450 PRESSURE: 2933600 16.1581 325.82 98.0604 325.82 27.6386 -68.7504 98.061 -68.7502 234.166 GPRESSURE: 2933600 26.9474 386.287 77.7262 231.811 176.919 -152.272 -2.3969 -15.8759 176.571 PRESSAVG: 2933600 40.3901 22.7531 9.25112 22.7531 -74.1923 -1.23797 9.25112 -1.23804 26.3569 GPRESSAVG: 2933600 38.7008 20.695 9.92894 22.7375 -74.5812 -1.24626 8.91216 -0.0745177 28.1083 TIMING: 2933600 CPU: 9339.97, 0.00312813/step Wall: 9339.97, 0.00312813/step, 1.79555 hours remaining, 233.359375 MB of memory in use. ENERGY: 2933600 4024.1211 20685.8522 14419.3481 226.5763 -203510.6881 2732.5373 0.0000 0.0000 52139.2351 -109283.0181 299.6449 -161422.2532 -108925.7614 299.9278 92.6541 126.8124 759443.1397 -2.4817 -2.5907 PRESSURE: 2933800 -244.468 -140.176 -113.407 -140.177 -121.797 -159.843 -113.407 -159.843 197.493 GPRESSURE: 2933800 -174.651 -124.132 -129.216 -93.4718 -133.178 -149.459 -97.7634 -104.355 211.294 PRESSAVG: 2933800 -47.4554 -1.04586 15.0332 -1.04588 -10.966 -7.09098 15.0333 -7.09099 -24.9181 GPRESSAVG: 2933800 -47.566 -0.622128 12.6348 0.328874 -9.03121 -4.52677 16.3158 -9.25751 -26.7151 TIMING: 2933800 CPU: 9340.6, 0.00313409/step Wall: 9340.6, 0.00313409/step, 1.79879 hours remaining, 233.359375 MB of memory in use. ENERGY: 2933800 4025.1705 20582.5864 14476.8040 237.1750 -203438.5782 2539.0521 0.0000 0.0000 52177.3952 -109400.3950 299.8642 -161577.7902 -109037.7382 299.7445 -56.2574 -32.1782 760531.5017 -27.7798 -27.7708 PRESSURE: 2934000 65.5691 -172.88 -245.601 -172.879 159.534 118.784 -245.601 118.784 214.977 GPRESSURE: 2934000 30.6887 -161.127 -274.62 -216.75 183.293 132.907 -178.657 141.016 305.696 PRESSAVG: 2934000 1.44732 -12.9366 -4.60492 -12.9367 28.4818 5.15736 -4.60494 5.15724 -3.44725 GPRESSAVG: 2934000 1.62207 -11.6916 -4.97892 -15.2125 26.8007 3.32965 -3.05121 5.51817 -2.33058 TIMING: 2934000 CPU: 9341.22, 0.00311987/step Wall: 9341.22, 0.00311987/step, 1.79046 hours remaining, 233.359375 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: 2934000 3959.4294 20592.7525 14517.7319 252.4935 -203412.2529 2594.4853 0.0000 0.0000 52307.5784 -109187.7819 300.6124 -161495.3603 -108827.0997 299.9781 146.6931 173.2259 760452.0375 8.8273 8.6974 PRESSURE: 2934200 -0.669224 34.9474 -404.504 34.9473 -10.9195 -126.12 -404.503 -126.119 398.058 GPRESSURE: 2934200 -48.7491 -23.5693 -320.203 49.1023 128.199 -73.5709 -363.628 -171.575 358.066 PRESSAVG: 2934200 -13.21 -29.0062 -15.7313 -29.0062 -11.2141 -61.1188 -15.7314 -61.1186 33.5095 GPRESSAVG: 2934200 -13.5799 -28.3696 -13.5918 -29.2751 -10.1006 -60.7078 -15.8029 -61.4835 32.4349 TIMING: 2934200 CPU: 9341.84, 0.00310779/step Wall: 9341.84, 0.00310779/step, 1.78335 hours remaining, 233.359375 MB of memory in use. ENERGY: 2934200 4016.4352 20451.7068 14542.7600 240.8224 -203392.6295 2571.8573 0.0000 0.0000 52305.6695 -109263.3784 300.6014 -161569.0479 -108901.6153 299.6412 128.8232 145.8389 760481.8464 3.0285 2.9182 PRESSURE: 2934400 -120.08 17.6549 -78.1611 17.6545 432.213 -162.362 -78.1612 -162.362 328.651 GPRESSURE: 2934400 42.4386 -98.6216 -6.44452 -26.9552 358.392 -241.456 -204.559 -124.846 315.514 PRESSAVG: 2934400 -4.19304 -67.8736 21.9019 -67.8736 1.37197 24.5448 21.9019 24.5448 -17.1019 GPRESSAVG: 2934400 -4.02709 -67.9375 21.8119 -69.0255 0.496602 22.1665 17.8084 27.7762 -15.9377 TIMING: 2934400 CPU: 9342.47, 0.00312966/step Wall: 9342.47, 0.00312966/step, 1.79573 hours remaining, 233.359375 MB of memory in use. ENERGY: 2934400 3975.7657 20652.3587 14538.1807 258.9964 -203396.3198 2793.9549 0.0000 0.0000 52271.5123 -108905.5511 300.4051 -161177.0634 -108555.4153 300.3302 213.5948 238.7816 760724.7385 -6.6410 -6.4894 PRESSURE: 2934600 -92.4992 -81.6963 206.104 -81.6957 -368.905 104.6 206.105 104.6 -197.041 GPRESSURE: 2934600 -47.2427 -35.5124 189.604 20.4308 -327.76 78.9661 224.428 185.491 -212.842 PRESSAVG: 2934600 -10.8393 -50.569 11.8166 -50.5689 -29.421 3.60878 11.8166 3.60874 -24.1607 GPRESSAVG: 2934600 -10.8523 -52.1715 11.5844 -47.6642 -29.546 4.45869 14.2754 0.636673 -24.0564 TIMING: 2934600 CPU: 9343.09, 0.00312008/step Wall: 9343.09, 0.00312008/step, 1.79006 hours remaining, 233.359375 MB of memory in use. ENERGY: 2934600 4027.3050 20589.0495 14416.5289 235.0885 -203458.7255 2596.1459 0.0000 0.0000 52232.3227 -109362.2849 300.1799 -161594.6076 -109004.3074 300.3063 -219.4819 -195.9482 760450.1809 -21.4737 -21.4849 PRESSURE: 2934800 -186.286 -1.4846 4.88443 -1.48453 -7.00042 -198.386 4.88372 -198.387 295.806 GPRESSURE: 2934800 -108.989 -50.358 -55.631 -23.7554 36.5131 -98.7919 -82.7104 -156.056 271.665 PRESSAVG: 2934800 24.0537 -55.0039 -11.229 -55.0039 -6.29833 13.3105 -11.2289 13.3105 -3.35792 GPRESSAVG: 2934800 24.7843 -53.0359 -12.7223 -57.2994 -7.17637 16.6459 -9.9059 11.5935 -3.72812 TIMING: 2934800 CPU: 9343.72, 0.00313004/step Wall: 9343.72, 0.00313004/step, 1.7956 hours remaining, 233.359375 MB of memory in use. ENERGY: 2934800 3963.8230 20514.4447 14480.0598 241.4489 -203321.0960 2555.6480 0.0000 0.0000 52206.7060 -109358.9656 300.0327 -161565.6716 -109003.2964 299.5474 34.1731 66.3963 761123.2561 4.7991 4.6266 PRESSURE: 2935000 -286.115 41.868 48.0809 41.8677 -23.7714 78.3817 48.0802 78.3833 -230.592 GPRESSURE: 2935000 -193.12 0.958092 44.1972 2.82362 -79.0046 180.911 84.0321 99.2292 -157.299 PRESSAVG: 2935000 -12.2905 -22.4881 9.49151 -22.488 6.36347 22.6788 9.49153 22.6788 11.6427 GPRESSAVG: 2935000 -11.4694 -23.6702 11.1388 -21.491 5.4724 18.9819 7.75253 25.5939 12.0037 TIMING: 2935000 CPU: 9344.34, 0.00311448/step Wall: 9344.34, 0.00311448/step, 1.7865 hours remaining, 233.359375 MB of memory in use. ENERGY: 2935000 4040.3638 20412.7768 14410.5070 235.2247 -203360.6492 2509.4437 0.0000 0.0000 52259.9425 -109492.3906 300.3386 -161752.3331 -109127.9916 299.7407 -180.1596 -143.1413 761752.3603 1.9052 2.0023 PRESSURE: 2935200 90.96 77.0864 186.885 77.0865 -229.19 -223.494 186.886 -223.494 -118.885 GPRESSURE: 2935200 70.6402 19.8759 181.456 51.2545 -87.959 -210.823 307.953 -205.419 -141.747 PRESSAVG: 2935200 93.6272 30.8341 16.7963 30.834 -18.8266 25.4932 16.7963 25.4932 0.214573 GPRESSAVG: 2935200 91.974 31.907 15.7835 30.8847 -16.9532 27.6483 18.4442 25.386 0.39724 TIMING: 2935200 CPU: 9344.96, 0.00310569/step Wall: 9344.96, 0.00310569/step, 1.78129 hours remaining, 233.359375 MB of memory in use. ENERGY: 2935200 4003.3189 20429.4496 14472.1555 257.0794 -203397.6609 2490.7285 0.0000 0.0000 52039.1185 -109705.8106 299.0695 -161744.9291 -109341.9966 299.4601 -85.7052 -53.0220 760717.3406 25.0051 25.1394 PRESSURE: 2935400 69.4774 -8.89013 62.5432 -8.89049 -95.1597 -19.4432 62.5425 -19.4434 -259.487 GPRESSURE: 2935400 36.4973 -42.1021 9.52122 18.4927 -65.7181 39.4349 -34.061 96.5677 -182.924 PRESSAVG: 2935400 37.9452 21.9262 25.9969 21.9261 -65.4608 43.3276 25.9969 43.3274 -28.3949 GPRESSAVG: 2935400 38.3081 21.7289 26.2308 21.9684 -65.4324 43.2981 24.5864 42.9007 -29.2331 TIMING: 2935400 CPU: 9345.59, 0.00311716/step Wall: 9345.59, 0.00311716/step, 1.78769 hours remaining, 233.359375 MB of memory in use. ENERGY: 2935400 3984.2340 20581.1334 14495.8987 255.2572 -203017.6718 2194.2327 0.0000 0.0000 51811.2527 -109695.6631 297.7600 -161506.9157 -109344.1073 298.8607 -95.0566 -70.7148 761535.6905 -18.6368 -18.7858 PRESSURE: 2935600 -43.8691 -43.16 102.727 -43.1601 119.334 139.358 102.727 139.359 -45.3833 GPRESSURE: 2935600 30.1417 -42.6861 27.7903 -44.0085 123.655 233.445 222.404 97.5783 -51.2515 PRESSAVG: 2935600 78.155 -23.2763 1.01781 -23.2763 -76.4753 8.36891 1.01782 8.36888 -12.42 GPRESSAVG: 2935600 78.4487 -22.2523 -1.43828 -24.6536 -77.0618 9.518 0.341431 7.94513 -12.3159 TIMING: 2935600 CPU: 9346.21, 0.00312227/step Wall: 9346.21, 0.00312227/step, 1.79045 hours remaining, 233.359375 MB of memory in use. ENERGY: 2935600 4026.6844 20381.0255 14449.6830 239.9383 -203080.6051 2391.2770 0.0000 0.0000 51974.9416 -109617.0554 298.7007 -161591.9970 -109255.1672 298.7098 10.0273 34.1816 762486.2525 -3.5801 -3.6430 PRESSURE: 2935800 285.997 -22.6667 21.1071 -22.6666 194.868 96.631 21.1071 96.6308 -183.276 GPRESSURE: 2935800 379.962 -24.6277 -15.4325 -50.4755 187.942 154.774 -8.25709 -104.213 -183.116 PRESSAVG: 2935800 34.61 32.5356 52.1045 32.5356 -45.6536 1.25764 52.1045 1.25765 6.45427 GPRESSAVG: 2935800 34.8347 31.5082 54.1894 34.3307 -45.7404 0.198577 52.7842 2.62531 6.86267 TIMING: 2935800 CPU: 9346.84, 0.00312782/step Wall: 9346.84, 0.00312782/step, 1.79346 hours remaining, 233.359375 MB of memory in use. ENERGY: 2935800 4046.8069 20330.9841 14434.0167 235.3273 -203726.3026 2871.5001 0.0000 0.0000 52121.2619 -109686.4054 299.5416 -161807.6674 -109325.4313 298.6210 99.1964 128.2628 761797.3586 -1.5298 -1.3477 PRESSURE: 2936000 66.8468 -57.2119 139.29 -57.2114 115.643 -113.383 139.29 -113.383 474.406 GPRESSURE: 2936000 121.384 -61.3308 136.956 -66.7385 212.869 -157.511 224.24 -52.5668 412.479 PRESSAVG: 2936000 5.61414 33.4576 27.3062 33.4576 -9.16083 24.4796 27.3062 24.4796 16.761 GPRESSAVG: 2936000 6.21904 33.0391 26.8986 33.1819 -9.56631 25.2661 26.9578 23.1117 16.5291 TIMING: 2936000 CPU: 9347.46, 0.00311928/step Wall: 9347.46, 0.00311928/step, 1.78839 hours remaining, 233.359375 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: 2936000 3973.0628 20487.2238 14381.8379 234.1009 -203453.0561 2838.6533 0.0000 0.0000 51966.2279 -109571.9497 298.6506 -161538.1776 -109210.3379 298.9295 218.9650 248.9106 760299.0021 4.4048 4.3940 PRESSURE: 2936200 216.814 -138.513 205.292 -138.514 -239.533 -38.3255 205.292 -38.3254 -102.328 GPRESSURE: 2936200 280.201 -60.6782 230.109 -51.0065 -159.286 -90.279 129.374 -14.9531 -157.521 PRESSAVG: 2936200 65.3338 11.032 5.90977 11.0321 -75.4783 -26.206 5.90974 -26.206 -17.3841 GPRESSAVG: 2936200 65.5918 12.721 6.3435 11.3733 -74.854 -27.3756 6.04086 -25.2498 -17.6108 TIMING: 2936200 CPU: 9348.08, 0.00311516/step Wall: 9348.08, 0.00311516/step, 1.78585 hours remaining, 233.359375 MB of memory in use. ENERGY: 2936200 3983.7824 20360.2315 14418.3850 243.8238 -203358.6876 2690.3065 0.0000 0.0000 52354.3019 -109307.8566 300.8809 -161662.1585 -108939.9153 299.6713 -41.6821 -12.2017 760992.5746 -9.1762 -8.9577 LDB: ============= START OF LOAD BALANCING ============== 9360.5 LDB: ============== END OF LOAD BALANCING =============== 9360.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9360.5 LDB: ============= START OF LOAD BALANCING ============== 9360.82 LDB: Largest compute 7025 load 0.031916 is 16.3% of average load 0.195371 LDB: Average compute 0.004385 is 2.2% of average load 0.195371 LDB: TIME 9360.82 LOAD: AVG 0.195371 MAX 0.218965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.719 MB LDB: TIME 9360.82 LOAD: AVG 0.195371 MAX 0.218965 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: TIME 9360.82 LOAD: AVG 0.195371 MAX 0.217359 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: ============== END OF LOAD BALANCING =============== 9360.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9360.83 PRESSURE: 2936400 108.636 -102.992 -23.9691 -102.992 194.278 165.236 -23.9698 165.237 -216.27 GPRESSURE: 2936400 131.309 -104.608 -61.1074 16.1583 226.871 154.706 -2.23849 90.8417 -196.074 PRESSAVG: 2936400 62.6976 -21.9628 20.1458 -21.9627 -16.9684 -21.8815 20.1458 -21.8815 39.8388 GPRESSAVG: 2936400 62.6268 -23.7639 20.2603 -23.2543 -16.859 -21.385 20.9199 -21.4768 39.992 TIMING: 2936400 CPU: 9348.72, 0.0031906/step Wall: 9348.72, 0.0031906/step, 1.82892 hours remaining, 234.261719 MB of memory in use. ENERGY: 2936400 3976.8422 20623.0314 14397.3608 271.1163 -203170.5593 2524.8822 0.0000 0.0000 52066.1203 -109311.2060 299.2247 -161377.3263 -108950.9302 299.7352 28.8814 54.0353 761648.0432 28.5226 28.5866 PRESSURE: 2936600 -124.875 3.44466 -218.287 3.44486 106.751 56.1211 -218.286 56.1203 -113.727 GPRESSURE: 2936600 -110.751 -53.5041 -116.517 45.7984 178.977 -53.2159 -251.011 189.671 -125.364 PRESSAVG: 2936600 64.3916 14.7551 -27.1585 14.755 -80.9806 9.82045 -27.1586 9.82049 11.863 GPRESSAVG: 2936600 64.1165 13.5008 -26.8544 15.0324 -81.2812 10.2206 -28.0853 9.0341 12.0997 TIMING: 2936600 CPU: 9349.35, 0.00313089/step Wall: 9349.35, 0.00313089/step, 1.79452 hours remaining, 234.464844 MB of memory in use. ENERGY: 2936600 4004.0520 20623.9470 14347.8596 261.1529 -203004.1941 2242.5344 0.0000 0.0000 52150.7556 -109373.8927 299.7111 -161524.6483 -109008.8001 299.6843 -43.9504 -19.0460 762212.9528 -1.5753 -1.6883 PRESSURE: 2936800 -39.3597 90.3601 97.6548 90.3601 270.352 145.171 97.6547 145.171 -12.1444 GPRESSURE: 2936800 91.1593 45.2137 79.0296 35.3476 162.023 258.444 -63.3153 156.532 53.0365 PRESSAVG: 2936800 25.1514 2.41074 -20.727 2.41072 -1.2848 -11.7206 -20.7269 -11.7206 17.7702 GPRESSAVG: 2936800 26.2465 4.26763 -20.9116 0.257967 -2.40511 -8.94406 -21.832 -13.1052 17.6228 TIMING: 2936800 CPU: 9349.97, 0.00311765/step Wall: 9349.97, 0.00311765/step, 1.78676 hours remaining, 234.464844 MB of memory in use. ENERGY: 2936800 4047.4055 20621.5451 14465.9415 251.9523 -203614.9744 2823.2903 0.0000 0.0000 51937.9752 -109466.8645 298.4883 -161404.8397 -109109.0286 299.3093 72.9494 102.0730 758862.5581 13.8789 13.8214 PRESSURE: 2937000 -46.7946 47.4533 -218.99 47.4537 -122.571 92.7905 -218.989 92.7906 -131.573 GPRESSURE: 2937000 54.3943 83.4539 -218.95 28.4883 -118.246 93.6413 -108.09 148.079 -125.043 PRESSAVG: 2937000 58.074 31.3516 -1.87135 31.3516 -59.5844 61.3748 -1.87136 61.3748 4.40043 GPRESSAVG: 2937000 57.4085 31.8456 -2.83144 33.3329 -58.6148 60.1068 -1.46924 62.6142 4.28747 TIMING: 2937000 CPU: 9350.6, 0.00312805/step Wall: 9350.6, 0.00312805/step, 1.79255 hours remaining, 234.464844 MB of memory in use. ENERGY: 2937000 4042.7088 20447.9680 14431.9343 258.0298 -202881.9766 2328.9021 0.0000 0.0000 51808.4213 -109564.0123 297.7437 -161372.4336 -109208.3812 299.2480 -100.3130 -62.9649 760871.4626 0.9633 1.0270 PRESSURE: 2937200 307.407 -16.5158 53.381 -16.5156 176.06 -21.5614 53.381 -21.5618 269.664 GPRESSURE: 2937200 315.07 -43.723 89.7158 40.0274 218.999 16.8847 91.7853 70.582 290.805 PRESSAVG: 2937200 40.2395 27.2315 61.4901 27.2315 -51.93 23.2528 61.4901 23.2527 21.0026 GPRESSAVG: 2937200 40.4276 26.0967 63.1611 27.7791 -52.5512 22.1965 60.9719 21.0465 21.4412 TIMING: 2937200 CPU: 9351.22, 0.00311463/step Wall: 9351.22, 0.00311463/step, 1.78468 hours remaining, 234.464844 MB of memory in use. ENERGY: 2937200 4014.1487 20470.4784 14434.3906 266.0180 -203101.9407 2509.0966 0.0000 0.0000 52070.5720 -109337.2364 299.2503 -161407.8085 -108974.5294 299.1888 251.0438 274.9580 760848.8237 3.1040 3.1059 PRESSURE: 2937400 -130.903 140.968 21.9949 140.967 -52.491 62.3946 21.9957 62.3943 -236.379 GPRESSURE: 2937400 -99.0198 179.113 37.2897 141.753 -25.8261 -15.5044 58.732 151.39 -200.297 PRESSAVG: 2937400 25.4014 16.7957 42.7746 16.7958 -58.6627 52.3738 42.7745 52.3738 11.6584 GPRESSAVG: 2937400 25.6121 17.6179 41.5318 16.9576 -59.1042 51.8447 44.2015 54.4716 12.1818 TIMING: 2937400 CPU: 9351.84, 0.00311389/step Wall: 9351.84, 0.00311389/step, 1.78409 hours remaining, 234.464844 MB of memory in use. ENERGY: 2937400 4066.8680 20355.0591 14394.9700 240.6778 -203339.4958 2575.4826 0.0000 0.0000 52304.3182 -109402.1201 300.5936 -161706.4382 -109026.9454 299.5552 -139.9245 -108.3808 762887.0235 -7.2010 -7.1034 PRESSURE: 2937600 -147.54 -310.801 -120.243 -310.802 -259.688 43.6785 -120.243 43.6786 -7.14375 GPRESSURE: 2937600 -50.8166 -270.818 -126.484 -122.839 -219.639 -48.6149 27.2591 59.249 -54.2478 PRESSAVG: 2937600 -22.17 54.7591 29.9096 54.7591 4.77133 27.4829 29.9096 27.4828 -14.4146 GPRESSAVG: 2937600 -20.8433 54.0091 30.0711 54.0083 4.26098 27.9695 29.1945 27.6658 -14.8773 TIMING: 2937600 CPU: 9352.47, 0.00313082/step Wall: 9352.47, 0.00313082/step, 1.79361 hours remaining, 234.464844 MB of memory in use. ENERGY: 2937600 3974.4197 20483.7423 14455.2975 251.3807 -203241.9189 2529.5161 0.0000 0.0000 52043.1176 -109504.4449 299.0925 -161547.5626 -109135.1323 299.5145 -138.1240 -108.2343 762715.2654 -10.6044 -10.4865 PRESSURE: 2937800 -64.0387 70.797 84.3096 70.7974 314.531 -220.132 84.3094 -220.133 -703.761 GPRESSURE: 2937800 37.893 92.8999 68.0613 176.629 275.767 -196.244 117.813 -75.1253 -678.074 PRESSAVG: 2937800 -31.8702 50.3213 67.2132 50.3214 6.68377 82.2501 67.2132 82.2502 -20.1158 GPRESSAVG: 2937800 -33.0059 49.7308 66.7343 51.3119 8.17022 82.1402 67.5998 81.4653 -20.4847 TIMING: 2937800 CPU: 9353.09, 0.0031239/step Wall: 9353.09, 0.00312389/step, 1.78947 hours remaining, 234.464844 MB of memory in use. ENERGY: 2937800 3969.0851 20510.9006 14428.2190 245.8909 -203052.5735 2374.3668 0.0000 0.0000 52156.4242 -109367.6869 299.7437 -161524.1110 -109016.4348 299.2372 -151.0895 -121.4713 762483.8989 -15.1007 -15.1068 PRESSURE: 2938000 -193.409 133.655 233.586 133.654 -352.143 -14.662 233.586 -14.6623 -268.985 GPRESSURE: 2938000 -39.312 31.391 220.616 159.722 -436.628 -111.674 171.637 37.2016 -225.695 PRESSAVG: 2938000 43.9524 12.2484 -13.7247 12.2483 -17.8311 4.58892 -13.7247 4.58893 1.60824 GPRESSAVG: 2938000 43.9165 12.9637 -12.5529 11.2195 -18.1076 5.24599 -14.9427 6.35747 1.59272 TIMING: 2938000 CPU: 9353.72, 0.00312804/step Wall: 9353.72, 0.00312805/step, 1.79167 hours remaining, 234.464844 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: 2938000 4008.0499 20547.0675 14461.4700 266.1581 -203290.2522 2590.0805 0.0000 0.0000 51966.5830 -109450.8432 298.6527 -161417.4262 -109091.1924 299.2944 -271.5124 -233.8784 762177.4194 9.2432 9.1339 PRESSURE: 2938200 -136.666 -166.544 14.7016 -166.544 135.105 114.465 14.7017 114.464 61.1129 GPRESSURE: 2938200 -80.9198 -116.117 -92.0494 -43.4849 161.264 -31.8827 102.018 25.3024 56.2248 PRESSAVG: 2938200 -33.0987 -15.9573 -36.699 -15.9573 20.4388 -18.3971 -36.699 -18.3971 -12.3801 GPRESSAVG: 2938200 -32.8566 -15.9952 -37.411 -15.5016 19.3915 -20.1703 -35.7006 -19.7268 -11.909 TIMING: 2938200 CPU: 9354.34, 0.0031237/step Wall: 9354.34, 0.0031237/step, 1.78901 hours remaining, 234.464844 MB of memory in use. ENERGY: 2938200 3963.7581 20504.2791 14482.8685 239.7382 -203226.7109 2514.3497 0.0000 0.0000 52113.0359 -109408.6815 299.4943 -161521.7174 -109054.0971 299.3092 19.8507 45.5229 763739.0328 -8.3467 -8.4581 PRESSURE: 2938400 -654.875 -105.5 45.7508 -105.501 -66.2822 -14.8321 45.7512 -14.8321 -226.073 GPRESSURE: 2938400 -493.486 -43.9677 27.7982 10.3969 -118 42.2289 -11.5323 42.2153 -250.217 PRESSAVG: 2938400 -76.5649 11.0585 -8.90152 11.0586 82.6757 -21.0552 -8.90151 -21.0551 -13.3556 GPRESSAVG: 2938400 -77.2319 10.7025 -5.83642 10.32 82.859 -19.2697 -12.1449 -20.2803 -12.7121 TIMING: 2938400 CPU: 9354.97, 0.00315354/step Wall: 9354.97, 0.00315354/step, 1.80593 hours remaining, 234.464844 MB of memory in use. ENERGY: 2938400 4026.7008 20643.9824 14525.3024 260.0149 -203061.9890 2440.6824 0.0000 0.0000 51904.8725 -109260.4335 298.2980 -161165.3060 -108906.5966 299.0396 -315.7433 -287.2341 764177.8052 -2.4150 -2.3617 PRESSURE: 2938600 -522.238 -123.018 72.5403 -123.018 -239.105 -99.4944 72.54 -99.4934 -118.26 GPRESSURE: 2938600 -327.93 13.9387 104.343 7.39859 -299.293 -101.033 -21.5115 -104.272 -152.62 PRESSAVG: 2938600 -9.08702 56.1914 -11.6602 56.1914 17.5696 -30.7899 -11.6602 -30.7899 6.54817 GPRESSAVG: 2938600 -9.31667 59.7113 -14.0405 55.1647 16.8986 -30.6199 -6.97587 -31.7075 7.52997 TIMING: 2938600 CPU: 9355.6, 0.00314324/step Wall: 9355.6, 0.00314324/step, 1.79985 hours remaining, 234.464844 MB of memory in use. ENERGY: 2938600 4035.0225 20464.3421 14469.0535 227.5162 -203313.8298 2358.6255 0.0000 0.0000 52411.3869 -109347.8831 301.2090 -161759.2700 -108972.2444 299.7376 -293.2009 -259.9477 762409.4167 5.0102 5.0373 PRESSURE: 2938800 -322.263 -119.541 -44.3921 -119.541 58.347 -108.67 -44.3926 -108.67 -5.11678 GPRESSURE: 2938800 -245.007 -229.067 55.7376 -46.9811 68.3629 -41.1388 -29.0565 -113.72 -30.9937 PRESSAVG: 2938800 9.5965 -18.1253 22.5964 -18.1253 1.02193 1.28956 22.5965 1.28954 -6.41156 GPRESSAVG: 2938800 9.96503 -21.0731 21.7326 -16.1286 1.58045 1.64446 19.5855 0.530542 -7.65606 TIMING: 2938800 CPU: 9356.23, 0.00315594/step Wall: 9356.23, 0.00315594/step, 1.80695 hours remaining, 234.464844 MB of memory in use. ENERGY: 2938800 3970.6581 20596.3588 14578.6997 228.6066 -203094.4280 2356.6176 0.0000 0.0000 51946.4297 -109417.0574 298.5368 -161363.4871 -109046.2497 299.4164 -89.6776 -69.2126 762516.9328 1.4023 1.2965 PRESSURE: 2939000 21.5937 25.6472 33.8943 25.6478 -184.027 -222.014 33.8944 -222.014 313.203 GPRESSURE: 2939000 35.6968 19.2633 79.1617 -61.4828 -68.5527 -184.877 -49.4143 -177.123 251.896 PRESSAVG: 2939000 17.0856 -15.279 62.6051 -15.2789 9.91314 -8.9669 62.6051 -8.96693 7.39569 GPRESSAVG: 2939000 17.2307 -15.2442 62.8517 -13.995 9.04365 -8.62677 62.2311 -8.24883 7.33769 TIMING: 2939000 CPU: 9356.86, 0.00312804/step Wall: 9356.86, 0.00312804/step, 1.7908 hours remaining, 234.464844 MB of memory in use. ENERGY: 2939000 4003.5751 20605.1519 14520.0249 241.7359 -202981.2826 2310.3485 0.0000 0.0000 51909.9026 -109390.5436 298.3269 -161300.4462 -109033.1089 299.3620 50.2564 73.0135 759890.2891 11.4648 11.2040 PRESSURE: 2939200 14.1717 -72.1992 -34.6273 -72.1996 62.5402 54.1255 -34.6285 54.1254 -82.5842 GPRESSURE: 2939200 80.0212 1.39868 -43.0989 99.2447 54.7184 39.3553 11.6103 88.8112 -64.7281 PRESSAVG: 2939200 -66.45 -9.52871 11.6762 -9.52873 95.6866 -20.0319 11.6762 -20.0319 -2.51135 GPRESSAVG: 2939200 -66.5228 -9.77201 9.91328 -9.72183 95.6422 -20.4283 14.7702 -17.6252 -2.82097 TIMING: 2939200 CPU: 9357.49, 0.00314131/step Wall: 9357.49, 0.00314131/step, 1.79822 hours remaining, 234.464844 MB of memory in use. ENERGY: 2939200 4045.2230 20557.4243 14444.8653 239.5906 -203288.2465 2484.4021 0.0000 0.0000 52168.9288 -109347.8125 299.8156 -161516.7413 -108983.6083 299.0086 -1.9574 23.3372 759323.7939 8.9084 8.7661 PRESSURE: 2939400 -461.614 -283.99 247.012 -283.99 -303.966 -4.98949 247.011 -4.9897 -676.354 GPRESSURE: 2939400 -429.847 -206.581 191.622 -260.866 -180.955 5.19339 248.545 -127.798 -734.589 PRESSAVG: 2939400 12.9053 -14.217 13.8327 -14.2169 12.5203 -37.3341 13.8328 -37.3342 0.0600887 GPRESSAVG: 2939400 12.3164 -13.4241 14.8327 -15.8304 12.9278 -38.4568 12.7049 -37.8486 0.0245114 TIMING: 2939400 CPU: 9358.12, 0.00314588/step Wall: 9358.12, 0.00314588/step, 1.80067 hours remaining, 234.464844 MB of memory in use. ENERGY: 2939400 4037.7578 20434.1670 14490.0476 263.7773 -202881.3331 2109.8198 0.0000 0.0000 52343.5531 -109202.2106 300.8191 -161545.7637 -108835.4750 299.8104 -480.6448 -448.4633 760068.8469 8.4952 8.4229 PRESSURE: 2939600 -181.913 257.782 -53.5113 257.782 -147.986 30.028 -53.5114 30.0277 -99.9097 GPRESSURE: 2939600 -146.213 151.197 -9.94307 244.328 -44.1479 15.0235 -105.357 7.18152 -138.783 PRESSAVG: 2939600 3.81258 40.4691 36.1286 40.4692 0.637507 28.222 36.1286 28.222 0.107328 GPRESSAVG: 2939600 3.86356 39.5246 37.4692 39.989 0.866163 28.404 35.8007 28.3735 0.241554 TIMING: 2939600 CPU: 9358.74, 0.00313688/step Wall: 9358.74, 0.00313688/step, 1.79534 hours remaining, 234.464844 MB of memory in use. ENERGY: 2939600 4019.3616 20526.2962 14445.5597 255.7972 -202972.4506 2331.3564 0.0000 0.0000 52060.2630 -109333.8166 299.1910 -161394.0796 -108973.3484 299.5082 -143.2695 -109.7146 761153.9650 1.5191 1.6571 PRESSURE: 2939800 146.217 -111.27 190.732 -111.27 -63.1076 -45.8943 190.732 -45.8942 248.569 GPRESSURE: 2939800 127.066 -59.0865 220.438 -2.4121 50.4854 -76.8123 130.596 -126.613 222.973 PRESSAVG: 2939800 -12.1496 -8.9586 31.4668 -8.95856 -5.28247 28.1007 31.4669 28.1007 -4.32262 GPRESSAVG: 2939800 -11.8904 -8.1618 30.5905 -7.88426 -5.45833 28.6604 30.4307 26.6146 -4.69067 TIMING: 2939800 CPU: 9359.37, 0.00312734/step Wall: 9359.37, 0.00312734/step, 1.78971 hours remaining, 234.464844 MB of memory in use. ENERGY: 2939800 3816.4124 20571.9417 14424.3442 238.3575 -203315.1179 2629.1261 0.0000 0.0000 52223.7280 -109411.2079 300.1305 -161634.9359 -109039.6989 299.3471 110.5596 133.5083 762086.7976 -7.2516 -7.3465 PRESSURE: 2940000 32.9821 197.985 -35.1138 197.985 105.555 70.2251 -35.1136 70.2253 -151.531 GPRESSURE: 2940000 54.9052 149.277 18.6228 117.449 148.471 50.2981 41.8794 54.4704 -117.524 PRESSAVG: 2940000 -25.2177 22.6731 86.849 22.6731 -2.2215 -59.9804 86.849 -59.9803 2.56395 GPRESSAVG: 2940000 -25.6898 22.8708 86.5113 20.918 -1.93207 -60.0401 88.8076 -57.8018 2.87252 TIMING: 2940000 CPU: 9360, 0.00312617/step Wall: 9360, 0.00312617/step, 1.78887 hours remaining, 234.464844 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: 2940000 3915.7517 20407.9546 14469.7953 242.9002 -203489.4321 2597.4851 0.0000 0.0000 52323.6461 -109531.8991 300.7047 -161855.5452 -109153.4637 299.1122 -4.3312 28.6175 761596.6500 -8.2917 -8.2498 PRESSURE: 2940200 96.5098 -122.297 -16.629 -122.298 -28.4137 56.1306 -16.6302 56.1312 245.378 GPRESSURE: 2940200 149.102 -113.539 -138.656 -140.969 17.2236 86.7535 0.780631 -45.3184 225.423 PRESSAVG: 2940200 -12.0848 -10.9703 -18.4232 -10.9704 12.5588 26.7514 -18.4231 26.7514 -15.4606 GPRESSAVG: 2940200 -11.8221 -9.62047 -17.4954 -11.5286 12.807 25.4019 -19.6862 26.7531 -16.2793 TIMING: 2940200 CPU: 9360.62, 0.00313207/step Wall: 9360.62, 0.00313207/step, 1.79207 hours remaining, 234.464844 MB of memory in use. ENERGY: 2940200 3917.6698 20571.8206 14528.9198 229.5719 -203395.1379 2678.8455 0.0000 0.0000 51996.3780 -109471.9323 298.8239 -161468.3104 -109109.0552 299.0418 104.4915 130.5827 761353.4606 -4.9955 -5.0981 LDB: ============= START OF LOAD BALANCING ============== 9373.04 LDB: ============== END OF LOAD BALANCING =============== 9373.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9373.04 LDB: ============= START OF LOAD BALANCING ============== 9373.36 LDB: Largest compute 7025 load 0.033047 is 16.9% of average load 0.195490 LDB: Average compute 0.004397 is 2.2% of average load 0.195490 LDB: TIME 9373.36 LOAD: AVG 0.19549 MAX 0.216528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.145 MB LDB: TIME 9373.36 LOAD: AVG 0.19549 MAX 0.216528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 9373.36 LOAD: AVG 0.19549 MAX 0.216528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 9373.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9373.37 PRESSURE: 2940400 23.0067 -89.5163 -77.06 -89.5163 105.049 -3.04138 -77.0591 -3.04027 26.7915 GPRESSURE: 2940400 40.7836 7.59625 -39.7563 -146.328 179.224 -13.936 -82.7093 7.34507 9.03319 PRESSAVG: 2940400 8.22817 23.5663 -4.1053 23.5663 8.05558 18.6941 -4.10536 18.6941 -21.8952 GPRESSAVG: 2940400 8.36941 22.8379 -4.35184 24.9919 8.28847 19.2307 -5.49517 18.7867 -21.8332 TIMING: 2940400 CPU: 9361.26, 0.00319784/step Wall: 9361.26, 0.00319784/step, 1.82952 hours remaining, 233.304688 MB of memory in use. ENERGY: 2940400 4039.6886 20606.3611 14476.8556 246.3445 -203585.3214 2781.3423 0.0000 0.0000 51883.8529 -109550.8764 298.1772 -161434.7293 -109177.5342 299.6545 51.6157 76.3468 762694.1017 -1.8705 -1.7251 PRESSURE: 2940600 201.834 -151.037 -81.918 -151.037 -66.4202 -137.553 -81.9187 -137.554 77.8113 GPRESSURE: 2940600 206.058 -77.0517 -114.73 -33.6784 36.5711 -202.582 -31.27 -108.133 72.0513 PRESSAVG: 2940600 -18.5007 3.21425 -22.7215 3.21432 39.9212 26.1542 -22.7216 26.1542 -6.71672 GPRESSAVG: 2940600 -18.907 0.970356 -21.0261 4.13433 39.6728 27.005 -21.5779 24.8643 -5.71051 TIMING: 2940600 CPU: 9361.89, 0.00314346/step Wall: 9361.89, 0.00314346/step, 1.79824 hours remaining, 233.304688 MB of memory in use. ENERGY: 2940600 4054.3608 20500.1106 14445.5030 248.0978 -203141.3509 2389.5607 0.0000 0.0000 52186.8202 -109316.8978 299.9184 -161503.7179 -108953.4600 299.8699 71.0752 104.8936 761303.5209 4.9013 5.0184 PRESSURE: 2940800 191.371 -83.4005 35.8795 -83.4 28.3264 107.107 35.8791 107.106 205.128 GPRESSURE: 2940800 181.907 26.3556 65.6261 -179.136 131.462 113.582 120.382 46.7097 193.297 PRESSAVG: 2940800 -39.1291 38.8165 29.2149 38.8165 -5.21666 21.9346 29.2149 21.9346 16.5061 GPRESSAVG: 2940800 -39.4333 40.8139 29.3365 35.3204 -4.03983 22.3162 28.5827 22.5849 15.9516 TIMING: 2940800 CPU: 9362.51, 0.0031235/step Wall: 9362.51, 0.0031235/step, 1.78664 hours remaining, 233.304688 MB of memory in use. ENERGY: 2940800 3954.4016 20461.3474 14357.7324 240.7557 -203072.0827 2413.6558 0.0000 0.0000 52369.2496 -109274.9401 300.9668 -161644.1897 -108906.5443 300.0791 141.6085 168.8888 761016.6720 -9.2799 -9.1738 PRESSURE: 2941000 -386.637 32.328 71.0958 32.3291 -98.0615 72.874 71.0956 72.8748 -167.597 GPRESSURE: 2941000 -288.732 49.6968 51.84 -50.4995 -68.1477 118.741 121.213 -1.159 -213.424 PRESSAVG: 2941000 57.1715 18.4351 60.3734 18.4351 -33.5243 9.02717 60.3734 9.02715 -0.772841 GPRESSAVG: 2941000 57.3957 18.2418 58.4762 19.595 -33.8501 8.88929 60.6787 8.09581 -0.905621 TIMING: 2941000 CPU: 9363.14, 0.00311436/step Wall: 9363.14, 0.00311436/step, 1.78124 hours remaining, 233.304688 MB of memory in use. ENERGY: 2941000 3985.1773 20669.9404 14444.0132 237.3693 -203311.2650 2426.5116 0.0000 0.0000 52262.7570 -109285.4962 300.3548 -161548.2532 -108913.1809 300.5329 -217.4316 -190.1012 761948.9755 7.6248 7.5466 PRESSURE: 2941200 4.51944 -176.712 26.3886 -176.712 106.063 12.0156 26.3886 12.0156 27.1943 GPRESSURE: 2941200 30.9614 -99.7787 75.4225 -276.786 157.75 67.8752 -83.2128 -83.3155 59.0104 PRESSAVG: 2941200 40.5579 20.9857 27.1181 20.9858 -33.1675 0.438278 27.1181 0.43826 -0.447731 GPRESSAVG: 2941200 39.358 19.5605 26.3824 22.3073 -34.1884 0.389897 27.3014 0.387422 1.37644 TIMING: 2941200 CPU: 9363.76, 0.00311822/step Wall: 9363.76, 0.00311822/step, 1.78328 hours remaining, 233.304688 MB of memory in use. ENERGY: 2941200 4063.9257 20522.9949 14506.8756 239.4844 -203056.6448 2370.8551 0.0000 0.0000 51994.8944 -109357.6148 298.8154 -161352.5091 -108992.7157 300.2229 45.9255 82.5741 760211.4339 2.3142 2.1820 PRESSURE: 2941400 -54.6016 -113.802 46.8949 -113.802 335.029 318.545 46.8936 318.545 179.348 GPRESSURE: 2941400 75.4342 -109.296 53.7786 -197.17 233.292 253.11 53.3317 294.012 235.983 PRESSAVG: 2941400 18.4695 10.3727 5.28116 10.3726 3.79515 59.7182 5.28114 59.7182 -0.686939 GPRESSAVG: 2941400 20.0792 10.982 6.00891 7.39175 3.21118 58.8032 5.15836 60.6516 -1.73474 TIMING: 2941400 CPU: 9364.38, 0.00311058/step Wall: 9364.38, 0.00311058/step, 1.77874 hours remaining, 233.304688 MB of memory in use. ENERGY: 2941400 4009.4062 20737.2262 14465.4880 233.1976 -203906.3202 2750.9286 0.0000 0.0000 52430.7450 -109279.3286 301.3202 -161710.0737 -108920.6893 299.8715 153.2586 181.5697 757924.2701 7.1926 7.1852 PRESSURE: 2941600 105.71 -15.8281 215.031 -15.8286 -416.461 -136.769 215.031 -136.769 -11.3698 GPRESSURE: 2941600 101.427 34.1264 168.892 57.7737 -409.583 -196.665 180.706 -86.0548 67.5641 PRESSAVG: 2941600 27.674 87.2574 29.5054 87.2574 -20.5959 -3.19315 29.5054 -3.19318 -3.24336 GPRESSAVG: 2941600 27.5557 86.9159 27.9611 90.785 -20.6752 -2.0765 28.453 -3.42809 -3.0516 TIMING: 2941600 CPU: 9365.01, 0.00312502/step Wall: 9365.01, 0.00312502/step, 1.78682 hours remaining, 233.304688 MB of memory in use. ENERGY: 2941600 4030.2582 20617.1055 14513.2900 240.9575 -203031.9424 2018.5591 0.0000 0.0000 52362.6265 -109249.1456 300.9287 -161611.7721 -108889.3089 300.9427 -107.3738 -80.1971 759938.0472 1.2783 1.2763 PRESSURE: 2941800 -285.552 -151.909 -85.3906 -151.91 94.3883 44.4809 -85.3906 44.4825 -16.1334 GPRESSURE: 2941800 -288.275 -110.02 -128.076 -202.824 109.55 74.7223 -14.4528 120.577 72.2752 PRESSAVG: 2941800 75.8056 44.5366 24.9626 44.5366 -46.4161 -5.07264 24.9626 -5.07261 45.4304 GPRESSAVG: 2941800 75.5827 44.8559 26.5622 41.4438 -46.2535 -3.51591 23.7204 -6.93299 44.9768 TIMING: 2941800 CPU: 9365.63, 0.00311369/step Wall: 9365.63, 0.00311369/step, 1.78017 hours remaining, 233.304688 MB of memory in use. ENERGY: 2941800 3957.4721 20682.3996 14442.4499 241.2008 -203490.5497 2547.8725 0.0000 0.0000 52310.8503 -109308.3044 300.6312 -161619.1547 -108928.5945 300.2128 -69.0991 -35.4834 760739.6907 24.9400 24.7687 PRESSURE: 2942000 -130.583 48.8465 299.836 48.8474 -438.086 -176.07 299.836 -176.069 -15.8856 GPRESSURE: 2942000 -141.089 -6.45263 239.587 25.5358 -365.788 -68.1625 278.115 -83.6208 27.9776 PRESSAVG: 2942000 -2.32829 40.5101 12.0931 40.51 -62.1288 -8.35278 12.0932 -8.3528 5.11829 GPRESSAVG: 2942000 -0.995193 39.9084 11.7052 42.0872 -63.4524 -8.48532 15.4159 -4.44156 5.29602 TIMING: 2942000 CPU: 9366.25, 0.00311007/step Wall: 9366.25, 0.00311007/step, 1.77792 hours remaining, 233.304688 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: 2942000 4086.3634 20610.3518 14399.6385 237.0271 -203667.8226 2887.2876 0.0000 0.0000 52149.8328 -109297.3213 299.7058 -161447.1541 -108934.7444 300.0872 -194.8513 -159.6332 762443.9708 -19.7796 -19.7172 PRESSURE: 2942200 106.381 182.733 143.696 182.733 -188.375 -95.1433 143.694 -95.1432 -8.38455 GPRESSURE: 2942200 98.1266 191.168 243.577 16.9631 -131.977 -79.3367 120.839 -122.538 27.4997 PRESSAVG: 2942200 78.8475 -14.3583 -3.30272 -14.3583 -65.6596 28.3835 -3.30277 28.3835 13.9912 GPRESSAVG: 2942200 77.8826 -11.3483 -1.93066 -16.2308 -64.908 27.6925 -4.22132 25.3308 13.8167 TIMING: 2942200 CPU: 9366.88, 0.00311481/step Wall: 9366.88, 0.0031148/step, 1.78046 hours remaining, 233.304688 MB of memory in use. ENERGY: 2942200 4005.2051 20513.4203 14476.9369 236.3549 -203292.6124 2529.9081 0.0000 0.0000 52221.6136 -109309.1734 300.1183 -161530.7870 -108942.4725 300.0467 -30.1262 -2.1168 762434.6943 9.0597 8.9304 PRESSURE: 2942400 116.466 -139.397 -108.404 -139.397 -1.83885 234.33 -108.404 234.33 -55.5854 GPRESSURE: 2942400 169.512 -203.385 -117.697 24.25 26.396 130.46 -26.5776 224.397 -51.7925 PRESSAVG: 2942400 107.313 -49.3162 70.0413 -49.3162 -92.8448 -27.1228 70.0414 -27.1227 -19.8162 GPRESSAVG: 2942400 108.136 -50.4328 67.3807 -50.3145 -91.7314 -28.8506 67.4854 -26.9811 -21.4988 TIMING: 2942400 CPU: 9367.5, 0.00311306/step Wall: 9367.5, 0.00311306/step, 1.77929 hours remaining, 233.304688 MB of memory in use. ENERGY: 2942400 4053.2074 20671.0025 14467.6689 253.0120 -203403.1899 2546.8329 0.0000 0.0000 52089.6915 -109321.7746 299.3602 -161411.4661 -108961.7366 300.5094 19.6807 48.0385 761965.3632 -1.7828 -1.6981 PRESSURE: 2942600 -398.378 -15.7787 80.3912 -15.7789 -36.7696 179.877 80.3911 179.877 -163.997 GPRESSURE: 2942600 -351.558 82.5874 114.755 13.5623 -56.5332 223.63 2.65098 310.462 -135.457 PRESSAVG: 2942600 44.658 -60.7194 25.6442 -60.7193 -57.7611 8.22032 25.6442 8.22032 -15.3047 GPRESSAVG: 2942600 46.0896 -60.4511 26.5658 -58.3289 -59.4937 8.38512 27.7459 8.14434 -14.1647 TIMING: 2942600 CPU: 9368.12, 0.00310746/step Wall: 9368.12, 0.00310746/step, 1.77591 hours remaining, 233.304688 MB of memory in use. ENERGY: 2942600 3968.6247 20683.6298 14498.7514 241.4208 -203039.9546 2292.8991 0.0000 0.0000 52385.0460 -108969.5828 301.0576 -161354.6288 -108602.4905 300.0815 -199.7151 -181.1829 761586.4186 -9.4693 -9.1896 PRESSURE: 2942800 -119.267 84.4557 -194.301 84.4553 2.66163 302.581 -194.301 302.581 -85.415 GPRESSURE: 2942800 -127.628 72.547 -256.461 140.686 18.0517 370.227 -128.479 152.702 0.505119 PRESSAVG: 2942800 70.8945 -9.96909 -10.5867 -9.96907 -61.7556 1.89999 -10.5866 1.90002 9.81923 GPRESSAVG: 2942800 69.4757 -9.57205 -9.52045 -10.942 -60.5532 4.00406 -12.6789 2.44772 10.1642 TIMING: 2942800 CPU: 9368.75, 0.00313151/step Wall: 9368.75, 0.00313151/step, 1.78948 hours remaining, 233.304688 MB of memory in use. ENERGY: 2942800 4048.0652 20638.5730 14496.6444 250.2442 -203220.9222 2558.1046 0.0000 0.0000 52427.6578 -108801.6330 301.3025 -161229.2908 -108434.9204 300.7948 -67.3401 -36.3570 761519.2285 6.3194 6.3623 PRESSURE: 2943000 4.30539 -31.5721 59.6284 -31.5719 -102.188 250.122 59.6284 250.124 -269.165 GPRESSURE: 2943000 66.6717 -19.1257 95.5423 116.553 -68.3082 266.895 8.04783 160.085 -285.495 PRESSAVG: 2943000 -14.7262 -53.1373 75.1612 -53.1373 18.2613 36.1698 75.1613 36.1698 -1.04593 GPRESSAVG: 2943000 -13.8808 -54.5301 73.9442 -51.5953 18.1464 34.1591 77.4281 34.5347 -1.76247 TIMING: 2943000 CPU: 9369.37, 0.00311293/step Wall: 9369.37, 0.00311293/step, 1.77869 hours remaining, 233.304688 MB of memory in use. ENERGY: 2943000 4024.9202 20637.8741 14490.8033 251.7483 -203147.1681 2534.1891 0.0000 0.0000 52247.9183 -108959.7148 300.2695 -161207.6331 -108591.5995 300.8382 -122.3492 -95.7104 761432.3981 0.8297 0.8344 PRESSURE: 2943200 -139.497 59.4113 139.298 59.4115 -169.928 94.8312 139.296 94.8303 -6.83403 GPRESSURE: 2943200 -125.843 73.4085 156.006 45.373 -32.3354 76.2349 154.459 -21.7792 -70.3932 PRESSAVG: 2943200 38.9591 -7.4671 77.0175 -7.4671 -62.2352 -1.5758 77.0175 -1.57593 3.95386 GPRESSAVG: 2943200 37.64 -6.39079 77.5545 -6.69875 -61.5162 -1.7235 75.3542 -0.760866 4.43219 TIMING: 2943200 CPU: 9369.99, 0.00312399/step Wall: 9369.99, 0.00312399/step, 1.78484 hours remaining, 233.304688 MB of memory in use. ENERGY: 2943200 4001.7782 20783.3376 14429.5682 241.7328 -203526.8076 2632.3710 0.0000 0.0000 52469.0628 -108968.9571 301.5404 -161438.0198 -108601.5162 300.8398 -105.4198 -76.1905 759973.0678 -6.4408 -6.4813 PRESSURE: 2943400 -164.558 54.5255 126.167 54.5256 335.227 -107.254 126.169 -107.253 -42.7384 GPRESSURE: 2943400 -112.435 -26.0982 79.0426 -72.6572 332.594 -91.1447 104.355 -94.9787 -7.03094 PRESSAVG: 2943400 52.4485 8.41078 22.1878 8.41086 -72.8135 19.8201 22.1878 19.8202 -0.302279 GPRESSAVG: 2943400 51.6127 5.60543 22.3562 8.74581 -72.5492 19.479 23.1473 18.6075 0.420107 TIMING: 2943400 CPU: 9370.62, 0.00311305/step Wall: 9370.62, 0.00311305/step, 1.77842 hours remaining, 233.304688 MB of memory in use. ENERGY: 2943400 3955.6149 20482.0896 14467.0985 260.5823 -203232.5300 2554.5970 0.0000 0.0000 52276.4417 -109236.1060 300.4334 -161512.5477 -108857.2899 300.5546 42.6436 71.0426 762087.7533 -6.8891 -6.8388 PRESSURE: 2943600 187.251 108.602 -41.3249 108.602 134.684 108.823 -41.3249 108.824 -236.794 GPRESSURE: 2943600 167.099 -66.2979 -135.401 13.5291 232.956 99.0623 -56.1382 196.702 -191.121 PRESSAVG: 2943600 24.3246 54.7459 14.9265 54.7461 2.42689 10.417 14.9265 10.417 -5.68991 GPRESSAVG: 2943600 25.8379 56.7142 13.8118 52.7208 1.79313 9.8328 15.2588 11.6488 -6.75294 TIMING: 2943600 CPU: 9371.24, 0.00311688/step Wall: 9371.24, 0.00311688/step, 1.78043 hours remaining, 233.304688 MB of memory in use. ENERGY: 2943600 4021.0546 20507.4107 14426.7484 227.3478 -203268.7735 2478.0015 0.0000 0.0000 52445.3015 -109162.9089 301.4039 -161608.2104 -108795.9704 300.3823 28.3804 69.6446 760529.4385 7.0205 6.9594 PRESSURE: 2943800 -9.16209 -123.155 191.42 -123.155 111.406 59.7181 191.419 59.7181 64.4716 GPRESSURE: 2943800 16.1778 -32.4583 297.148 -128.89 129.955 -66.4339 110.889 129.099 95.6493 PRESSAVG: 2943800 40.8228 -10.7926 25.6515 -10.7926 2.29216 -23.743 25.6516 -23.743 25.13 GPRESSAVG: 2943800 40.0484 -11.7921 26.5833 -9.02432 2.22158 -23.248 26.6021 -22.5315 26.2175 TIMING: 2943800 CPU: 9371.87, 0.00313033/step Wall: 9371.87, 0.00313033/step, 1.78794 hours remaining, 233.304688 MB of memory in use. ENERGY: 2943800 4049.3005 20644.0193 14377.2413 246.0014 -203138.1776 2297.9778 0.0000 0.0000 52450.1802 -109073.4570 301.4319 -161523.6372 -108704.5760 300.1060 55.5717 80.5942 761705.8122 22.7483 22.8291 PRESSURE: 2944000 379.294 107.667 -0.563339 107.667 -517.805 9.0236 -0.564009 9.02409 -266.499 GPRESSURE: 2944000 355.026 -24.9499 3.9905 61.5297 -428.876 78.6612 48.1984 39.4733 -240.618 PRESSAVG: 2944000 -14.5643 -22.7926 6.0328 -22.7926 29.6698 -13.3397 6.03277 -13.3398 -21.4047 GPRESSAVG: 2944000 -13.3482 -21.2948 4.14848 -23.8079 28.6054 -12.9296 5.52754 -12.8765 -21.2586 TIMING: 2944000 CPU: 9372.49, 0.00311501/step Wall: 9372.49, 0.00311501/step, 1.77902 hours remaining, 233.304688 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: 2944000 4023.1449 20656.3070 14415.6271 251.6410 -202914.1592 2281.9718 0.0000 0.0000 52270.2229 -109015.2444 300.3977 -161285.4673 -108649.1511 299.9845 -135.0032 -104.8225 762024.6112 -2.0997 -2.0005 PRESSURE: 2944200 -220.201 -60.0934 -145.814 -60.0945 -306.019 317.516 -145.814 317.516 -26.5385 GPRESSURE: 2944200 -171.612 2.76443 -129.438 55.5217 -291.996 341.76 -116.718 165.045 -2.39176 PRESSAVG: 2944200 21.6918 -16.9115 -5.09027 -16.9115 -43.3586 -14.1598 -5.09026 -14.1598 -13.3135 GPRESSAVG: 2944200 20.2497 -20.8826 -5.4389 -14.4904 -41.9098 -15.1785 -4.49782 -16.317 -13.2053 TIMING: 2944200 CPU: 9373.11, 0.00312251/step Wall: 9373.11, 0.00312251/step, 1.78313 hours remaining, 233.304688 MB of memory in use. ENERGY: 2944200 4076.1466 20570.3931 14436.4243 250.0619 -202908.9380 2297.9347 0.0000 0.0000 52123.3852 -109154.5923 299.5538 -161277.9774 -108796.3017 300.0967 -184.2531 -155.3332 760472.4225 -11.6601 -11.6218 LDB: ============= START OF LOAD BALANCING ============== 9385.53 LDB: ============== END OF LOAD BALANCING =============== 9385.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9385.53 LDB: ============= START OF LOAD BALANCING ============== 9385.85 LDB: Largest compute 7075 load 0.031183 is 16.0% of average load 0.195434 LDB: Average compute 0.004402 is 2.3% of average load 0.195434 LDB: TIME 9385.85 LOAD: AVG 0.195434 MAX 0.221012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.82 MB LDB: TIME 9385.85 LOAD: AVG 0.195434 MAX 0.221012 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: TIME 9385.85 LOAD: AVG 0.195434 MAX 0.21688 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: ============== END OF LOAD BALANCING =============== 9385.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9385.86 PRESSURE: 2944400 46.0215 4.46539 216.014 4.46485 -202.849 36.177 216.015 36.1766 405.692 GPRESSURE: 2944400 19.4457 71.9935 294.111 12.7463 -55.2147 1.19722 250.001 33.227 378.722 PRESSAVG: 2944400 -26.9794 -28.5381 -20.692 -28.5381 5.7594 6.37553 -20.6919 6.37564 -4.94878 GPRESSAVG: 2944400 -27.3366 -24.4227 -17.8251 -29.2945 5.89742 5.5827 -20.9868 7.99273 -4.73741 TIMING: 2944400 CPU: 9373.75, 0.00318731/step Wall: 9373.75, 0.00318731/step, 1.81995 hours remaining, 234.007812 MB of memory in use. ENERGY: 2944400 3995.2656 20457.4756 14445.2023 238.8003 -203294.3250 2584.9134 0.0000 0.0000 52477.6642 -109095.0036 301.5899 -161572.6677 -108724.6248 300.0072 82.9548 114.3178 761798.0487 -8.7229 -8.7255 PRESSURE: 2944600 -149.758 30.4042 324.568 30.4051 176.191 -34.792 324.569 -34.7926 70.7133 GPRESSURE: 2944600 -41.0571 -60.7664 289.581 55.2747 178.847 -10.9649 327.992 -91.1742 36.0664 PRESSAVG: 2944600 -32.8686 7.0191 -4.01847 7.01905 38.8026 60.1875 -4.01849 60.1875 7.59786 GPRESSAVG: 2944600 -32.7755 6.70608 -6.4779 7.02905 39.2682 61.9444 -3.55321 58.7155 7.19047 TIMING: 2944600 CPU: 9374.38, 0.00313046/step Wall: 9374.38, 0.00313046/step, 1.78732 hours remaining, 234.128906 MB of memory in use. ENERGY: 2944600 4021.9277 20433.5511 14511.0912 232.2629 -203056.0692 2431.9057 0.0000 0.0000 52364.5432 -109060.7873 300.9397 -161425.3305 -108697.0555 300.1686 32.3822 57.9520 761782.9305 4.5106 4.5611 PRESSURE: 2944800 -339.55 -26.6315 -243.844 -26.632 -126.674 251.291 -243.845 251.292 -5.11161 GPRESSURE: 2944800 -281.687 10.8634 -172.302 -71.4957 -103.745 217.09 -129.785 230.54 -13.9648 PRESSAVG: 2944800 -9.10207 -1.57217 36.5694 -1.57215 11.5212 62.0403 36.5694 62.0403 -8.26108 GPRESSAVG: 2944800 -8.58117 -2.4495 37.8862 -2.64583 11.7492 60.1688 35.4931 61.9229 -9.3152 TIMING: 2944800 CPU: 9375, 0.00311545/step Wall: 9375, 0.00311545/step, 1.77857 hours remaining, 234.128906 MB of memory in use. ENERGY: 2944800 4064.5541 20681.3310 14441.6440 259.7184 -203039.2948 2380.4035 0.0000 0.0000 52093.1219 -109118.5219 299.3799 -161211.6438 -108765.8350 299.9904 -157.1121 -133.1324 762712.3853 -1.9473 -2.0491 PRESSURE: 2945000 -103.242 -7.8557 256.103 -7.8556 -128.601 79.9754 256.104 79.9762 105.818 GPRESSURE: 2945000 -71.9292 34.5038 151.149 98.7305 -57.5895 41.7755 129.609 74.744 87.4189 PRESSAVG: 2945000 -27.5555 12.5783 33.1764 12.5783 -6.33907 -11.0641 33.1764 -11.0642 -27.8554 GPRESSAVG: 2945000 -27.9745 11.5818 32.4223 13.7124 -8.20589 -9.96328 35.2016 -11.9781 -26.0825 TIMING: 2945000 CPU: 9375.62, 0.00311946/step Wall: 9375.62, 0.00311946/step, 1.78069 hours remaining, 234.332031 MB of memory in use. ENERGY: 2945000 3969.8715 20616.4645 14475.1980 239.4080 -202950.9893 2268.6622 0.0000 0.0000 52299.0262 -109082.3588 300.5632 -161381.3851 -108724.0848 299.7737 -42.0087 -14.0333 762522.7195 -20.5833 -20.7543 PRESSURE: 2945200 37.0187 -92.3202 -33.5519 -92.3212 48.7055 331.776 -33.5516 331.776 134.149 GPRESSURE: 2945200 19.45 -101.257 -30.4573 -90.6375 84.5575 327.709 -38.2537 399.842 184.732 PRESSAVG: 2945200 -41.403 2.39694 18.4555 2.39692 -9.67094 32.8143 18.4555 32.8143 -7.23082 GPRESSAVG: 2945200 -41.0184 3.49375 18.7096 1.90301 -9.46104 33.3295 15.9503 32.2645 -7.87355 TIMING: 2945200 CPU: 9376.25, 0.00311468/step Wall: 9376.25, 0.00311468/step, 1.77779 hours remaining, 234.472656 MB of memory in use. ENERGY: 2945200 4064.1201 20529.3477 14525.0922 258.7086 -203032.9247 2500.5955 0.0000 0.0000 51844.7236 -109310.3371 297.9523 -161155.0606 -108955.1346 299.9299 73.2912 96.2465 761633.4053 -19.4349 -19.4510 PRESSURE: 2945400 -282.594 66.7331 13.9292 66.7323 125.855 -142.232 13.9287 -142.231 -35.7051 GPRESSURE: 2945400 -191.932 168.124 89.3742 13.8543 126.037 -108.816 -2.60789 -305.915 -37.7327 PRESSAVG: 2945400 14.08 41.2961 -11.3906 41.2961 6.06227 39.3766 -11.3907 39.3765 -7.30573 GPRESSAVG: 2945400 12.798 42.1795 -11.361 40.0279 7.59539 39.8218 -10.5641 41.0523 -7.91483 TIMING: 2945400 CPU: 9376.87, 0.00312594/step Wall: 9376.87, 0.00312594/step, 1.78404 hours remaining, 234.472656 MB of memory in use. ENERGY: 2945400 4012.1805 20411.2816 14527.2902 233.9898 -203322.4724 2707.8365 0.0000 0.0000 52071.0560 -109358.8378 299.2531 -161429.8938 -108997.1713 299.3878 -64.1479 -34.5425 760390.0358 4.2788 4.1595 PRESSURE: 2945600 191.755 65.9478 280.912 65.9476 444.621 49.9593 280.911 49.9595 77.5254 GPRESSURE: 2945600 121.9 136.381 304.262 74.0444 496.603 33.5458 219.763 31.7281 190.068 PRESSAVG: 2945600 -7.47355 13.394 1.51739 13.394 -5.14012 38.4423 1.51737 38.4422 27.8702 GPRESSAVG: 2945600 -7.16082 12.238 2.44913 14.6005 -6.07337 38.8495 1.13045 37.9805 28.4122 TIMING: 2945600 CPU: 9377.5, 0.00312117/step Wall: 9377.5, 0.00312117/step, 1.78115 hours remaining, 234.472656 MB of memory in use. ENERGY: 2945600 3961.9012 20568.7120 14574.1656 249.6141 -203455.8489 2774.8620 0.0000 0.0000 52076.5885 -109250.0055 299.2849 -161326.5940 -108911.6756 299.7820 237.9672 269.5235 760208.6174 5.0855 5.0593 PRESSURE: 2945800 3.6072 152.307 289.052 152.307 -1.79805 -140.337 289.053 -140.337 -26.8729 GPRESSURE: 2945800 -18.8708 205.969 257.248 202.417 32.7507 -156.093 217.396 -146.472 48.1788 PRESSAVG: 2945800 25.9209 -53.0574 21.0345 -53.0575 -24.7344 52.1333 21.0345 52.1335 0.396919 GPRESSAVG: 2945800 25.6319 -52.1938 20.7655 -54.3796 -25.2899 51.978 21.3627 52.6115 0.878721 TIMING: 2945800 CPU: 9378.12, 0.00312865/step Wall: 9378.12, 0.00312865/step, 1.78524 hours remaining, 234.472656 MB of memory in use. ENERGY: 2945800 3984.0663 20599.5682 14460.5787 236.7383 -203343.1397 2482.5270 0.0000 0.0000 52277.7538 -109301.9074 300.4410 -161579.6612 -108931.6066 299.7092 -8.3546 20.6862 759339.1842 0.5278 0.4069 PRESSURE: 2946000 -340.312 109.649 -98.7163 109.649 13.6203 38.6603 -98.7169 38.6607 -37.4455 GPRESSURE: 2946000 -231.8 201.738 -160.057 110.563 47.7141 47.3268 -131.3 40.5801 -81.7169 PRESSAVG: 2946000 56.7508 -21.7701 13.5288 -21.7701 -65.5316 28.1562 13.5288 28.1563 10.7432 GPRESSAVG: 2946000 57.2837 -20.2402 11.7544 -20.3147 -65.6195 27.8782 13.7889 30.1062 10.2434 TIMING: 2946000 CPU: 9378.74, 0.00310956/step Wall: 9378.74, 0.00310956/step, 1.77418 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2946000 3929.3975 20447.5318 14441.7887 251.6152 -203000.4170 2360.2595 0.0000 0.0000 52128.5764 -109441.2480 299.5836 -161569.8244 -109083.7970 299.6700 -121.3790 -88.6011 760809.0444 0.6541 0.6359 PRESSURE: 2946200 92.5436 58.7485 57.2407 58.7477 -300.253 -95.5932 57.2409 -95.5934 260.62 GPRESSURE: 2946200 167.968 32.7767 27.4049 4.48916 -269.467 -100.496 -10.9632 -113.944 256.22 PRESSAVG: 2946200 80.6584 -33.9052 13.2952 -33.9052 -64.5753 39.6554 13.2952 39.6553 7.69884 GPRESSAVG: 2946200 80.1369 -35.333 14.686 -37.0239 -63.667 38.672 12.1574 36.9553 7.35542 TIMING: 2946200 CPU: 9379.37, 0.00310968/step Wall: 9379.37, 0.00310968/step, 1.77407 hours remaining, 234.472656 MB of memory in use. ENERGY: 2946200 4029.6821 20236.5785 14468.5294 235.3759 -203114.0308 2562.0144 0.0000 0.0000 51953.2109 -109628.6395 298.5758 -161581.8504 -109262.8285 299.2675 17.6370 51.5736 760240.1871 7.9273 7.9418 PRESSURE: 2946400 -41.7889 -91.3557 205.117 -91.3561 -15.2771 28.6193 205.116 28.6196 -153.634 GPRESSURE: 2946400 -3.43977 -103.753 211.655 -110.909 20.8216 -5.41678 232.786 -23.324 -134.859 PRESSAVG: 2946400 86.8576 -11.613 25.1845 -11.613 -51.5218 -12.9408 25.1845 -12.9408 -5.39852 GPRESSAVG: 2946400 86.8494 -11.1713 24.7227 -12.555 -51.2256 -11.9144 26.053 -12.3678 -5.85409 TIMING: 2946400 CPU: 9379.99, 0.00311588/step Wall: 9379.99, 0.00311588/step, 1.77744 hours remaining, 234.472656 MB of memory in use. ENERGY: 2946400 3973.8912 20370.4753 14425.9213 234.0703 -203470.9155 2600.0475 0.0000 0.0000 52030.4613 -109836.0486 299.0198 -161866.5099 -109481.1729 298.7627 -70.2333 -39.1592 759626.5308 9.9791 9.9232 PRESSURE: 2946600 -30.7837 48.8038 10.0682 48.8025 -311.398 65.1381 10.0677 65.1382 17.0878 GPRESSURE: 2946600 -39.103 -14.015 -4.06926 96.2574 -245.062 68.3628 65.4099 129.383 49.6452 PRESSAVG: 2946600 79.3265 -71.4311 -12.0155 -71.4311 4.08557 -17.755 -12.0156 -17.7549 7.21794 GPRESSAVG: 2946600 79.9358 -72.782 -10.3726 -70.0088 3.55129 -19.0913 -12.4186 -18.7711 7.6171 TIMING: 2946600 CPU: 9380.61, 0.00310789/step Wall: 9380.61, 0.00310789/step, 1.77271 hours remaining, 234.472656 MB of memory in use. ENERGY: 2946600 3978.2418 20624.6236 14502.2473 261.5834 -202846.5002 2151.3474 0.0000 0.0000 51944.1410 -109384.3156 298.5237 -161328.4567 -109027.6472 299.3009 -108.3648 -78.1732 761148.6912 30.2100 30.3681 PRESSURE: 2946800 -40.1721 201.068 15.3865 201.068 -54.8634 -80.9729 15.3863 -80.9724 265.257 GPRESSURE: 2946800 7.2372 198.81 5.16589 242.521 -56.0222 -50.1602 -62.9601 -96.2282 312.152 PRESSAVG: 2946800 -3.99888 23.9228 14.8097 23.9227 -52.2099 22.3412 14.8096 22.3412 -2.46845 GPRESSAVG: 2946800 -3.91385 26.8094 13.8005 24.9371 -53.2343 22.228 14.6655 22.3223 -1.8642 TIMING: 2946800 CPU: 9381.23, 0.00311754/step Wall: 9381.23, 0.00311754/step, 1.77804 hours remaining, 234.472656 MB of memory in use. ENERGY: 2946800 3932.7616 20605.4437 14520.4946 235.0402 -203137.4012 2529.8003 0.0000 0.0000 52022.9853 -109290.8755 298.9768 -161313.8608 -108932.8202 299.3986 56.7406 87.7889 760282.8936 -19.5591 -19.6708 PRESSURE: 2947000 -430.406 -146.108 -102.147 -146.109 -429.783 157.959 -102.147 157.958 -116.166 GPRESSURE: 2947000 -393.124 -212.947 -37.5402 -130.917 -387.977 215.657 -262.679 133.258 -115.323 PRESSAVG: 2947000 -38.608 -16.298 -62.4617 -16.298 -12.2823 -14.1528 -62.4617 -14.1528 -22.1359 GPRESSAVG: 2947000 -38.4971 -20.1348 -61.7495 -15.4932 -11.632 -12.1217 -64.1227 -13.1042 -22.6854 TIMING: 2947000 CPU: 9381.86, 0.00311135/step Wall: 9381.86, 0.00311135/step, 1.77433 hours remaining, 234.472656 MB of memory in use. ENERGY: 2947000 3955.9651 20593.4283 14492.0931 255.8315 -202847.1750 2151.8043 0.0000 0.0000 52268.8267 -109129.2261 300.3897 -161398.0527 -108758.3853 300.2850 -325.4517 -298.8077 761812.2295 -24.3420 -24.2715 PRESSURE: 2947200 -393.375 83.5795 150.605 83.5794 33.1462 -150.374 150.605 -150.375 356.384 GPRESSURE: 2947200 -297.118 104.676 116.905 42.2853 95.8612 -152.025 216.985 -112.252 301.803 PRESSAVG: 2947200 -12.4525 -23.1738 -4.0116 -23.1738 36.574 36.9543 -4.01156 36.9543 25.5779 GPRESSAVG: 2947200 -13.5751 -23.0159 -6.07079 -24.7291 37.9986 36.7598 -0.660626 38.5363 25.8131 TIMING: 2947200 CPU: 9382.48, 0.0031054/step Wall: 9382.48, 0.0031054/step, 1.77077 hours remaining, 234.472656 MB of memory in use. ENERGY: 2947200 4013.1065 20375.6826 14439.8318 250.9065 -202999.3207 2398.3494 0.0000 0.0000 52559.7660 -108961.6780 302.0617 -161521.4440 -108600.7607 300.2398 -1.2813 33.5152 761494.6205 16.5665 16.7455 PRESSURE: 2947400 38.2354 135.827 113.702 135.828 221.306 -52.6911 113.703 -52.6927 298.429 GPRESSURE: 2947400 84.0417 92.4841 128.782 58.8791 203.616 46.454 -7.94362 -137.336 369.647 PRESSAVG: 2947400 -32.3099 -4.00996 5.03566 -4.00988 5.11292 20.3011 5.03563 20.3011 -17.8345 GPRESSAVG: 2947400 -31.6193 -4.26105 5.78771 -3.53033 5.12797 19.1757 3.09893 17.0055 -18.2427 TIMING: 2947400 CPU: 9383.1, 0.00310656/step Wall: 9383.1, 0.00310656/step, 1.77126 hours remaining, 234.472656 MB of memory in use. ENERGY: 2947400 3972.0379 20563.3410 14487.2118 243.3140 -203059.2408 2631.8814 0.0000 0.0000 51902.0592 -109259.3956 298.2818 -161161.4548 -108899.8558 300.0929 185.9900 219.1015 760913.8233 -15.0105 -14.9113 PRESSURE: 2947600 -214.868 233.471 -97.1706 233.471 389.405 93.1372 -97.1705 93.137 124.446 GPRESSURE: 2947600 -210.461 292.069 -1.93875 188.914 380.895 153.744 -26.0092 125.564 215.991 PRESSAVG: 2947600 -16.2259 -28.6718 10.5552 -28.6718 14.98 10.142 10.5551 10.142 1.28816 GPRESSAVG: 2947600 -16.9883 -27.8258 11.512 -28.6288 14.7658 9.47321 11.074 12.6015 2.17979 TIMING: 2947600 CPU: 9383.72, 0.00308959/step Wall: 9383.72, 0.00308959/step, 1.76141 hours remaining, 234.472656 MB of memory in use. ENERGY: 2947600 4031.0691 20585.7215 14393.5518 229.6504 -202389.1913 2100.0636 0.0000 0.0000 51921.1393 -109127.9957 298.3915 -161049.1350 -108763.9537 299.8287 99.6610 128.8084 760079.9411 0.0141 -0.0142 PRESSURE: 2947800 -76.4579 -233.504 91.2627 -233.505 213.089 -2.6162 91.2628 -2.61615 136.265 GPRESSURE: 2947800 -138.023 -245.951 -36.4612 -134.723 338.146 -5.63249 190.564 28.2852 165.938 PRESSAVG: 2947800 -32.2918 -9.41972 16.8575 -9.41976 76.835 -38.6056 16.8574 -38.6056 21.9123 GPRESSAVG: 2947800 -32.1608 -8.57383 16.2521 -9.05686 76.3892 -39.1249 15.992 -38.83 22.0245 TIMING: 2947800 CPU: 9384.34, 0.00310963/step Wall: 9384.34, 0.00310963/step, 1.77266 hours remaining, 234.472656 MB of memory in use. ENERGY: 2947800 4011.9812 20471.4556 14552.0268 262.3281 -202673.4388 2219.9915 0.0000 0.0000 52138.7794 -109016.8761 299.6423 -161155.6555 -108644.1544 299.8814 90.9657 122.0206 759853.5733 22.1518 22.0843 PRESSURE: 2948000 116.807 -144.326 -212.155 -144.327 -91.1753 -114.191 -212.155 -114.192 636.473 GPRESSURE: 2948000 92.1214 -88.4731 -274.459 -218.583 -52.8387 -128.584 -41.9626 -271.985 698.432 PRESSAVG: 2948000 -63.4909 -42.1738 -27.5394 -42.1739 44.2016 25.5199 -27.5394 25.5199 -18.7473 GPRESSAVG: 2948000 -62.903 -44.216 -28.5437 -41.6281 43.8542 26.8627 -27.5207 23.1656 -19.2699 TIMING: 2948000 CPU: 9384.96, 0.00311647/step Wall: 9384.96, 0.00311648/step, 1.77639 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2948000 4025.4757 20426.5400 14525.6093 290.4811 -202902.7370 2265.7485 0.0000 0.0000 52140.9939 -109227.8885 299.6550 -161368.8824 -108858.8190 300.1765 220.7015 245.9049 760242.0494 -12.6789 -12.7729 PRESSURE: 2948200 -242.508 119.801 -102.771 119.8 381.432 -199.905 -102.771 -199.904 13.6223 GPRESSURE: 2948200 -168.822 134.558 -134.627 235.3 361.579 -214.304 -2.09298 -259.725 45.2857 PRESSAVG: 2948200 -51.5147 7.98225 32.6674 7.98226 4.88447 -10.1258 32.6674 -10.1258 2.7499 GPRESSAVG: 2948200 -51.9501 10.2085 32.9094 7.35406 4.44562 -10.155 34.079 -8.96423 3.33731 TIMING: 2948200 CPU: 9385.58, 0.00310015/step Wall: 9385.58, 0.00310015/step, 1.76691 hours remaining, 234.472656 MB of memory in use. ENERGY: 2948200 4016.1927 20616.4746 14450.9804 239.6739 -203105.8630 2366.2344 0.0000 0.0000 52008.6431 -109407.6638 298.8944 -161416.3069 -109042.6689 299.5636 50.8488 79.3475 761637.8355 -14.6268 -14.7224 LDB: ============= START OF LOAD BALANCING ============== 9398 LDB: ============== END OF LOAD BALANCING =============== 9398 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9398 LDB: ============= START OF LOAD BALANCING ============== 9398.32 LDB: Largest compute 7075 load 0.032372 is 16.6% of average load 0.195561 LDB: Average compute 0.004405 is 2.3% of average load 0.195561 LDB: TIME 9398.32 LOAD: AVG 0.195561 MAX 0.219413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 9398.32 LOAD: AVG 0.195561 MAX 0.219413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: TIME 9398.32 LOAD: AVG 0.195561 MAX 0.214563 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: ============== END OF LOAD BALANCING =============== 9398.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9398.33 PRESSURE: 2948400 357.348 -43.2779 59.8123 -43.2771 -123.639 -50.7466 59.8118 -50.7464 255.631 GPRESSURE: 2948400 295.74 -51.5635 18.2772 40.6787 -20.1409 16.7612 -136.435 -28.4346 293.008 PRESSAVG: 2948400 38.2881 -31.4923 -20.9415 -31.4923 6.63094 -50.8873 -20.9415 -50.8873 -21.3044 GPRESSAVG: 2948400 38.9309 -31.8817 -20.9855 -31.0629 6.9315 -50.693 -21.3915 -53.0263 -22.2951 TIMING: 2948400 CPU: 9386.22, 0.00319828/step Wall: 9386.22, 0.00319828/step, 1.82266 hours remaining, 234.898438 MB of memory in use. ENERGY: 2948400 3990.9367 20467.8580 14373.3193 272.5861 -203564.0368 2853.3117 0.0000 0.0000 52324.3148 -109281.7103 300.7086 -161606.0251 -108908.9511 299.1648 163.1134 189.5356 759044.6090 7.8715 7.8558 PRESSURE: 2948600 -344.172 -397.245 117.196 -397.246 -296.536 -19.6543 117.195 -19.6542 -58.9536 GPRESSURE: 2948600 -351.363 -434.166 77.5663 -458.04 -252.145 4.19091 342.5 23.3743 -3.15818 PRESSAVG: 2948600 -30.7691 -26.0436 52.5602 -26.0436 21.8982 -5.76722 52.5602 -5.76733 2.23152 GPRESSAVG: 2948600 -30.4496 -24.9561 52.5901 -27.0905 21.1687 -6.76377 53.3455 -3.4323 3.20133 TIMING: 2948600 CPU: 9386.84, 0.00311465/step Wall: 9386.84, 0.00311465/step, 1.77483 hours remaining, 235.296875 MB of memory in use. ENERGY: 2948600 4046.8174 20633.1379 14477.7538 248.4028 -203351.0807 2416.2617 0.0000 0.0000 52227.3322 -109301.3750 300.1512 -161528.7072 -108934.4166 299.6154 -233.2205 -202.2223 761738.2270 -2.2131 -2.0265 PRESSURE: 2948800 85.9345 66.6476 70.472 66.647 99.4813 -21.761 70.4716 -21.7622 -87.0487 GPRESSURE: 2948800 76.5471 -63.5091 108.722 48.074 210.703 -77.9374 -3.10792 -55.6033 -126.75 PRESSAVG: 2948800 37.8264 -51.2369 37.1679 -51.2369 -13.0495 38.2537 37.168 38.2537 -3.74983 GPRESSAVG: 2948800 37.4148 -54.1318 36.9695 -49.9337 -11.7207 38.9556 38.5178 37.959 -4.5158 TIMING: 2948800 CPU: 9387.47, 0.00310663/step Wall: 9387.47, 0.00310663/step, 1.77009 hours remaining, 235.296875 MB of memory in use. ENERGY: 2948800 4068.7828 20633.3790 14410.5214 234.4975 -202913.1288 2228.4453 0.0000 0.0000 52110.5816 -109226.9212 299.4802 -161337.5028 -108883.2045 299.6866 32.7890 53.5000 760652.7686 7.0090 7.0594 PRESSURE: 2949000 -185.035 -194.593 11.6033 -194.593 -193.322 96.8302 11.604 96.8288 349.698 GPRESSURE: 2949000 -70.5718 -81.1666 43.6263 -144.034 -151.785 30.8691 -83.8468 93.4019 294.907 PRESSAVG: 2949000 -13.2602 -6.20779 -15.2669 -6.20781 49.9901 5.65786 -15.2669 5.65787 -14.3831 GPRESSAVG: 2949000 -14.503 -4.6043 -15.0136 -7.35736 50.8829 6.27402 -17.9396 2.29428 -14.6278 TIMING: 2949000 CPU: 9388.09, 0.00311482/step Wall: 9388.09, 0.00311482/step, 1.77458 hours remaining, 235.500000 MB of memory in use. ENERGY: 2949000 4054.9298 20527.4133 14445.3174 251.9147 -203208.5645 2492.7911 0.0000 0.0000 52170.7537 -109265.4446 299.8260 -161436.1983 -108907.7763 300.2169 -9.5530 24.1833 759846.9445 7.4489 7.2507 PRESSURE: 2949200 -123.222 -6.21023 -36.2531 -6.21085 -56.9735 -34.0502 -36.2534 -34.0497 -502.459 GPRESSURE: 2949200 -47.3672 92.9931 -35.0105 147.197 -49.8266 -64.6472 1.95342 -38.3005 -501.288 PRESSAVG: 2949200 -9.48257 -37.8962 12.8355 -37.8962 30.2372 45.3937 12.8354 45.3938 8.56134 GPRESSAVG: 2949200 -9.9892 -37.545 14.7079 -37.14 29.9911 45.3293 13.8407 49.2523 9.89356 TIMING: 2949200 CPU: 9388.72, 0.00313276/step Wall: 9388.72, 0.00313276/step, 1.78463 hours remaining, 235.566406 MB of memory in use. ENERGY: 2949200 4022.1178 20576.9182 14475.4011 253.6392 -202955.0124 2219.3513 0.0000 0.0000 52045.5250 -109362.0598 299.1063 -161407.5847 -108992.5630 300.0158 -227.5518 -199.4938 760406.2319 9.7720 9.9652 PRESSURE: 2949400 22.1646 91.4255 -40.5972 91.4251 143.036 -98.2752 -40.5979 -98.2743 63.351 GPRESSURE: 2949400 50.5516 153.111 -28.4755 -10.9214 177.536 7.59398 -31.5857 -102.704 46.6225 PRESSAVG: 2949400 6.36215 8.80236 -48.5191 8.80241 -34.426 16.4441 -48.5191 16.444 1.2435 GPRESSAVG: 2949400 6.96699 8.61044 -51.0075 9.29961 -34.1889 17.7393 -47.37 14.4 0.260078 TIMING: 2949400 CPU: 9389.34, 0.00310256/step Wall: 9389.34, 0.00310256/step, 1.76725 hours remaining, 235.566406 MB of memory in use. ENERGY: 2949400 4031.1424 20606.1010 14394.9190 240.5847 -203314.1689 2378.6463 0.0000 0.0000 52388.8622 -109273.9132 301.0795 -161662.7755 -108905.6359 299.6530 76.1838 91.5700 759574.3699 -8.9401 -8.9873 PRESSURE: 2949600 -65.9387 -34.6132 116.213 -34.6139 -255.57 280.855 116.213 280.854 27.2225 GPRESSURE: 2949600 -52.2833 -115.839 86.7601 -208.645 -227.494 320.318 58.6728 399.132 77.7999 PRESSAVG: 2949600 24.1526 -49.743 -56.9679 -49.743 -11.7376 33.0567 -56.9679 33.0567 -3.07321 GPRESSAVG: 2949600 24.4284 -50.3052 -56.5317 -51.3345 -12.9025 31.2715 -58.8142 35.0013 -2.64518 TIMING: 2949600 CPU: 9389.96, 0.00311983/step Wall: 9389.96, 0.00311983/step, 1.77692 hours remaining, 235.566406 MB of memory in use. ENERGY: 2949600 3991.6035 20518.7407 14473.8846 249.8100 -203323.7122 2464.5863 0.0000 0.0000 52050.0697 -109575.0174 299.1325 -161625.0871 -109210.8959 299.2418 -98.0953 -67.3258 759718.9510 3.1139 2.9602 PRESSURE: 2949800 -171.515 -155.195 186.593 -155.194 -251.955 203.329 186.594 203.33 -153.997 GPRESSURE: 2949800 -166.457 -128.457 111.28 25.383 -176.922 180.877 152.869 251.418 -133.778 PRESSAVG: 2949800 7.06968 -41.6909 -44.7877 -41.6909 -28.8262 13.4277 -44.7877 13.4277 -14.6938 GPRESSAVG: 2949800 6.97864 -39.8404 -44.0404 -43.0148 -27.8562 13.1226 -45.0433 13.2931 -15.1674 TIMING: 2949800 CPU: 9390.58, 0.00311583/step Wall: 9390.58, 0.00311583/step, 1.77447 hours remaining, 235.566406 MB of memory in use. ENERGY: 2949800 3983.5984 20596.8774 14434.4383 254.1668 -202888.6666 2187.0797 0.0000 0.0000 52116.7897 -109315.7163 299.5159 -161432.5061 -108953.7181 299.4081 -192.4892 -159.0523 760552.1149 -12.1501 -12.0150 PRESSURE: 2950000 15.6662 -109.771 -282.937 -109.77 -379.895 28.5242 -282.937 28.5235 -180.108 GPRESSURE: 2950000 7.67261 -130.557 -123.857 -140.135 -221.731 -13.9779 -264.007 32.6414 -253.913 PRESSAVG: 2950000 -54.071 -50.7285 -33.1124 -50.7284 49.2092 55.634 -33.1124 55.6339 8.90766 GPRESSAVG: 2950000 -55.2886 -52.0434 -32.9774 -49.3855 50.433 57.5196 -33.815 53.0374 9.14964 TIMING: 2950000 CPU: 9391.21, 0.00312026/step Wall: 9391.21, 0.00312027/step, 1.77682 hours remaining, 235.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2950000 3965.3930 20526.1014 14502.5860 257.9015 -203327.0187 2558.5029 0.0000 0.0000 52122.0644 -109394.4696 299.5462 -161516.5340 -109038.5844 299.5240 -181.4456 -155.9905 761138.7248 1.3486 1.4313 PRESSURE: 2950200 -53.7904 -114.03 -98.7957 -114.03 -531.529 -59.7076 -98.7948 -59.708 -174.384 GPRESSURE: 2950200 -149.198 -185.293 -75.8095 -131.133 -444.696 -121.815 -225.991 -30.9867 -84.147 PRESSAVG: 2950200 -63.8204 -33.2204 -13.1838 -33.2204 65.9493 12.7249 -13.1839 12.7249 2.58285 GPRESSAVG: 2950200 -63.9952 -33.3961 -12.4985 -33.3284 64.3851 11.0686 -12.8526 13.1533 3.87296 TIMING: 2950200 CPU: 9391.83, 0.00311543/step Wall: 9391.83, 0.00311543/step, 1.77389 hours remaining, 235.566406 MB of memory in use. ENERGY: 2950200 3948.5277 20645.8537 14444.0938 251.0518 -202584.3508 2120.6837 0.0000 0.0000 51703.7653 -109470.3750 297.1422 -161174.1403 -109106.7222 299.7397 -253.2345 -226.0137 761507.2352 1.5706 1.4209 PRESSURE: 2950400 -120.664 -50.8103 -428.969 -50.8105 -218.444 50.4164 -428.969 50.4173 -2.02803 GPRESSURE: 2950400 -79.5206 -42.9493 -390.184 -92.5728 -186.938 14.2431 -306.579 32.0479 15.7188 PRESSAVG: 2950400 -39.28 7.70224 2.23102 7.70221 68.1085 -29.0222 2.23104 -29.0223 -2.01518 GPRESSAVG: 2950400 -38.6866 8.11068 2.65032 7.59383 68.695 -29.1996 1.78854 -28.4834 -3.28044 TIMING: 2950400 CPU: 9392.45, 0.00311654/step Wall: 9392.45, 0.00311654/step, 1.77435 hours remaining, 235.566406 MB of memory in use. ENERGY: 2950400 4096.2805 20531.8408 14531.6743 258.7491 -203221.6906 2550.4416 0.0000 0.0000 52044.6060 -109208.0984 299.1011 -161252.7044 -108857.8066 299.1221 -113.7120 -83.5799 760453.4094 8.9378 8.9093 PRESSURE: 2950600 -143.391 97.4069 165.703 97.4075 -521.227 -155.219 165.703 -155.219 -444.976 GPRESSURE: 2950600 -148.243 78.4555 183.321 115.644 -395.526 -83.3133 71.8492 -180.741 -460.833 PRESSAVG: 2950600 67.2318 -69.9017 -18.8273 -69.9018 -39.2205 57.7231 -18.8274 57.7231 0.962048 GPRESSAVG: 2950600 67.3555 -70.3243 -18.8809 -68.4582 -39.4263 58.5365 -17.9643 57.8053 0.903927 TIMING: 2950600 CPU: 9393.08, 0.00311375/step Wall: 9393.08, 0.00311375/step, 1.77259 hours remaining, 235.566406 MB of memory in use. ENERGY: 2950600 3986.3726 20481.7427 14430.1899 240.5335 -203274.9851 2583.0739 0.0000 0.0000 52102.4067 -109450.6658 299.4332 -161553.0725 -109082.0884 299.8803 -369.8646 -334.8671 763964.1970 9.6578 9.6111 PRESSURE: 2950800 -254.616 -44.9858 -187.895 -44.9859 146.016 195.41 -187.896 195.41 484.39 GPRESSURE: 2950800 -182.992 -11.8568 -165.059 -236.53 183.106 212.112 -181.188 162.222 458.581 PRESSAVG: 2950800 -10.5323 -0.723291 8.33245 -0.7233 -2.14467 -46.641 8.3325 -46.6411 22.6354 GPRESSAVG: 2950800 -9.83391 0.0755262 6.1134 -3.54705 -2.19005 -47.0013 8.59561 -47.1455 22.1731 TIMING: 2950800 CPU: 9393.71, 0.00314647/step Wall: 9393.71, 0.00314647/step, 1.79104 hours remaining, 235.566406 MB of memory in use. ENERGY: 2950800 3888.0186 20533.7125 14441.2541 261.6830 -203368.1425 2554.1455 0.0000 0.0000 52098.3598 -109590.9689 299.4100 -161689.3287 -109227.3797 299.3577 125.2634 152.8983 762375.6650 3.3195 3.3831 PRESSURE: 2951000 -291.088 0.684663 53.1299 0.683718 -407.506 -163.367 53.1299 -163.367 -318.947 GPRESSURE: 2951000 -227.352 62.0889 -19.8488 -38.3682 -356.553 -150.642 57.3824 -62.8111 -357.852 PRESSAVG: 2951000 25.7558 -49.9835 -48.2824 -49.9835 -18.4617 0.494827 -48.2824 0.494817 -2.05765 GPRESSAVG: 2951000 24.7206 -48.8418 -47.2736 -47.389 -17.2991 1.57839 -49.5622 -0.375451 -1.66251 TIMING: 2951000 CPU: 9394.33, 0.00314293/step Wall: 9394.33, 0.00314293/step, 1.78885 hours remaining, 235.566406 MB of memory in use. ENERGY: 2951000 4072.6211 20437.2813 14494.1232 247.3957 -203570.4124 2583.6482 0.0000 0.0000 51881.9858 -109853.3571 298.1665 -161735.3429 -109494.0798 298.9787 -339.1803 -313.9189 762271.1702 1.7455 1.9197 PRESSURE: 2951200 64.2181 -31.3092 -78.7164 -31.3093 141.193 -115.442 -78.7158 -115.442 -217.947 GPRESSURE: 2951200 108.085 92.4571 -109.766 -101.033 165.721 -121.52 25.5417 -149.561 -202.05 PRESSAVG: 2951200 27.7325 -17.5969 8.90865 -17.5969 -72.5399 6.76795 8.9086 6.768 20.1374 GPRESSAVG: 2951200 29.1257 -17.521 7.95717 -18.8023 -73.3582 5.36549 10.0717 9.08159 19.7268 TIMING: 2951200 CPU: 9394.96, 0.00314153/step Wall: 9394.96, 0.00314153/step, 1.78788 hours remaining, 235.566406 MB of memory in use. ENERGY: 2951200 3939.5611 20472.6472 14454.2879 250.9567 -203625.5707 2819.9153 0.0000 0.0000 51680.0303 -110008.1723 297.0058 -161688.2026 -109648.1120 298.3441 -4.1786 23.9189 762893.3671 -8.2233 -8.1686 PRESSURE: 2951400 -16.9553 -154.168 180.874 -154.168 84.5107 11.9404 180.874 11.9397 -191.995 GPRESSURE: 2951400 -25.0436 -98.7378 181.34 -119.488 127.175 53.8443 110.017 -86.6783 -121.48 PRESSAVG: 2951400 15.338 -7.08304 27.3324 -7.08296 27.7486 0.613199 27.3324 0.613119 -6.06841 GPRESSAVG: 2951400 13.867 -6.97688 29.878 -7.29615 28.0013 0.912215 27.4429 -0.0721957 -4.37437 TIMING: 2951400 CPU: 9395.59, 0.00315683/step Wall: 9395.59, 0.00315683/step, 1.79641 hours remaining, 235.566406 MB of memory in use. ENERGY: 2951400 3915.4310 20275.2631 14426.4021 244.1549 -203212.0842 2347.4628 0.0000 0.0000 51956.6743 -110046.6960 298.5957 -162003.3703 -109685.8980 297.9572 -41.4799 -6.4496 761265.5322 12.3394 12.4980 PRESSURE: 2951600 133.863 61.5422 -211.532 61.5414 269.468 212.119 -211.532 212.118 279.118 GPRESSURE: 2951600 154.45 24.4239 -188.797 0.737645 314.338 221.645 -339.674 222.028 321.14 PRESSAVG: 2951600 37.7885 -57.8883 -42.0921 -57.8883 -16.9954 -10.1882 -42.0921 -10.1882 4.73875 GPRESSAVG: 2951600 38.7125 -60.2474 -44.4662 -56.4126 -16.345 -10.3959 -43.5534 -12.0498 3.69447 TIMING: 2951600 CPU: 9396.22, 0.00314099/step Wall: 9396.22, 0.00314099/step, 1.78722 hours remaining, 235.566406 MB of memory in use. ENERGY: 2951600 3913.3911 20598.8920 14409.3636 235.8355 -203685.7687 2772.3162 0.0000 0.0000 51747.7544 -110008.2159 297.3951 -161755.9703 -109660.9251 297.9183 227.4829 263.3090 759483.6400 8.5106 8.6873 PRESSURE: 2951800 -463.897 -36.4877 197.85 -36.4868 -228.434 -257.863 197.85 -257.863 -148.527 GPRESSURE: 2951800 -382.077 -61.1567 179.703 0.94747 -194.065 -346 164.492 -79.0436 -177.691 PRESSAVG: 2951800 -31.6186 -43.9943 -36.8625 -43.9943 -7.62756 -25.2218 -36.8624 -25.2219 1.75425 GPRESSAVG: 2951800 -29.9715 -43.3401 -37.429 -45.8344 -7.76255 -24.4775 -35.9699 -22.6175 0.860378 TIMING: 2951800 CPU: 9396.86, 0.00317014/step Wall: 9396.86, 0.00317013/step, 1.80363 hours remaining, 235.566406 MB of memory in use. ENERGY: 2951800 4025.2911 20397.0041 14399.5856 241.5474 -203476.2015 2639.3006 0.0000 0.0000 51924.8980 -109848.5747 298.4131 -161773.4727 -109487.8004 298.4206 -280.2860 -251.2780 762924.9320 -12.4973 -12.2912 PRESSURE: 2952000 362.928 -141.079 123.493 -141.08 -185.508 7.15733 123.493 7.15681 257.679 GPRESSURE: 2952000 483.863 -61.8416 146.826 -115.574 -232.295 -23.7874 150.408 1.15152 260.944 PRESSAVG: 2952000 21.1439 -89.2996 -28.6141 -89.2996 -28.5642 -36.1631 -28.614 -36.1631 5.07019 GPRESSAVG: 2952000 20.8335 -89.7022 -27.0525 -85.9267 -28.6656 -36.4849 -29.4149 -38.2213 5.45792 TIMING: 2952000 CPU: 9397.48, 0.00313717/step Wall: 9397.48, 0.00313717/step, 1.7847 hours remaining, 235.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2952000 4002.6224 20381.9568 14469.6084 236.2173 -203665.4767 2821.4426 0.0000 0.0000 52007.8502 -109745.7790 298.8898 -161753.6293 -109385.9588 298.5924 145.0330 170.8372 760197.2147 -0.7834 -0.7914 PRESSURE: 2952200 -78.3953 142.994 2.54018 142.995 -156.396 135.491 2.5404 135.49 -21.9639 GPRESSURE: 2952200 -16.5265 88.5771 31.3535 163.673 -55.6198 135.564 -60.7498 136.514 -95.3402 PRESSAVG: 2952200 11.1425 -104.198 59.2464 -104.198 -51.2435 -19.4312 59.2465 -19.4313 33.3979 GPRESSAVG: 2952200 10.9158 -103.318 59.1558 -105.699 -51.3631 -19.3391 60.6115 -18.1574 33.7987 TIMING: 2952200 CPU: 9398.12, 0.00318218/step Wall: 9398.12, 0.00318218/step, 1.81013 hours remaining, 235.566406 MB of memory in use. ENERGY: 2952200 3928.5265 20533.4716 14477.2238 266.2783 -203608.6889 2376.6440 0.0000 0.0000 52154.7209 -109871.8237 299.7339 -162026.5446 -109504.3117 298.6017 -85.5849 -55.8289 760473.1746 -2.2344 -2.2162 LDB: ============= START OF LOAD BALANCING ============== 9410.54 LDB: ============== END OF LOAD BALANCING =============== 9410.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9410.55 LDB: ============= START OF LOAD BALANCING ============== 9410.86 LDB: Largest compute 7075 load 0.031385 is 16.1% of average load 0.195520 LDB: Average compute 0.004377 is 2.2% of average load 0.195520 LDB: TIME 9410.87 LOAD: AVG 0.19552 MAX 0.217926 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.105 MB LDB: TIME 9410.87 LOAD: AVG 0.19552 MAX 0.217926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.105 MB LDB: TIME 9410.87 LOAD: AVG 0.19552 MAX 0.217926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.105 MB LDB: ============== END OF LOAD BALANCING =============== 9410.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9410.87 PRESSURE: 2952400 151.633 62.0458 -51.0291 62.0458 12.7487 -48.5077 -51.0289 -48.5076 193.454 GPRESSURE: 2952400 49.0507 17.6499 66.2776 52.0936 139.043 -16.0113 16.6146 -15.6969 268.548 PRESSAVG: 2952400 -26.7133 -51.3909 7.09762 -51.3909 -16.2654 -36.7692 7.0976 -36.7692 -6.35425 GPRESSAVG: 2952400 -27.3302 -49.968 7.15713 -52.4489 -15.8744 -36.4872 5.89273 -35.6922 -5.69369 TIMING: 2952400 CPU: 9398.77, 0.00323647/step Wall: 9398.77, 0.00323647/step, 1.84083 hours remaining, 233.167969 MB of memory in use. ENERGY: 2952400 3903.8032 20477.0880 14423.3037 215.3543 -203766.9810 2700.6684 0.0000 0.0000 51924.2104 -110122.5531 298.4092 -162046.7635 -109747.6456 297.9452 119.2787 152.2138 760637.7858 -16.4443 -16.2995 PRESSURE: 2952600 -252.18 -123.836 -8.58063 -123.836 156.707 125.962 -8.57988 125.962 -12.0103 GPRESSURE: 2952600 -157.454 -167.889 -49.6842 -110.409 155.893 114.616 95.3483 97.6182 -13.3291 PRESSAVG: 2952600 41.6775 -55.8571 47.0368 -55.8571 -0.0719126 -44.1945 47.0368 -44.1945 -0.580775 GPRESSAVG: 2952600 42.5864 -58.1335 46.2883 -53.652 -0.296907 -42.9137 47.9883 -45.3632 -1.67601 TIMING: 2952600 CPU: 9399.39, 0.00311709/step Wall: 9399.39, 0.00311709/step, 1.77276 hours remaining, 233.421875 MB of memory in use. ENERGY: 2952600 3997.4185 20352.7690 14358.9376 248.5849 -203347.9230 2472.3998 0.0000 0.0000 52078.7329 -109839.0803 299.2972 -161917.8132 -109468.4941 298.3864 -35.8278 -4.9635 759784.2628 13.6749 13.5378 PRESSURE: 2952800 -470.634 107.758 50.8106 107.758 -121.416 14.4462 50.8097 14.446 65.0516 GPRESSURE: 2952800 -439.192 -85.22 61.229 96.8317 -31.8825 31.7529 -105.544 10.2168 33.6344 PRESSAVG: 2952800 -7.91381 -29.5645 -19.7764 -29.5645 18.7018 -27.1862 -19.7764 -27.1862 -8.21024 GPRESSAVG: 2952800 -7.63144 -27.8618 -20.4301 -31.0167 18.2701 -28.0241 -21.6724 -27.9791 -7.86511 TIMING: 2952800 CPU: 9400.02, 0.00312376/step Wall: 9400.02, 0.00312376/step, 1.77638 hours remaining, 233.492188 MB of memory in use. ENERGY: 2952800 4020.5090 20405.7297 14489.0546 262.7232 -203828.7848 2600.2277 0.0000 0.0000 52064.5615 -109985.9791 299.2158 -162050.5406 -109622.4937 298.3947 -175.6661 -145.8132 759575.8230 0.8592 0.9245 PRESSURE: 2953000 -385.084 -20.1857 -23.4275 -20.186 -497.755 -85.2963 -23.4279 -85.296 -335.171 GPRESSURE: 2953000 -320.892 -81.535 32.1916 21.5315 -429.705 -70.5109 -7.33335 67.576 -340.71 PRESSAVG: 2953000 9.39782 -64.9377 -21.502 -64.9378 5.15263 -30.2751 -21.502 -30.275 7.15548 GPRESSAVG: 2953000 9.39866 -65.5529 -20.4551 -66.0596 4.59373 -32.1265 -20.8571 -29.3172 7.36673 TIMING: 2953000 CPU: 9400.64, 0.00310993/step Wall: 9400.64, 0.00310993/step, 1.76834 hours remaining, 233.492188 MB of memory in use. ENERGY: 2953000 4103.0970 20411.7174 14456.4502 220.8257 -203490.4957 2408.2637 0.0000 0.0000 52116.1113 -109774.0304 299.5120 -161890.1417 -109415.7396 299.1302 -406.0031 -363.7688 760231.1607 7.2353 7.1197 PRESSURE: 2953200 -102.748 80.2558 108.287 80.257 -146.015 69.642 108.288 69.6416 -3.89201 GPRESSURE: 2953200 -148.299 171.649 217.144 -51.7395 -74.3547 74.4857 90.5782 76.8754 62.6132 PRESSAVG: 2953200 -55.4241 -0.86476 41.0367 -0.864733 42.5252 -2.44 41.0367 -2.43994 25.61 GPRESSAVG: 2953200 -56.3881 0.0276135 42.1869 -2.17273 43.263 -1.13457 41.6926 -4.01098 25.672 TIMING: 2953200 CPU: 9401.26, 0.00311314/step Wall: 9401.26, 0.00311314/step, 1.76999 hours remaining, 233.492188 MB of memory in use. ENERGY: 2953200 3999.1094 20346.6321 14518.8851 249.4834 -203228.8207 2273.6031 0.0000 0.0000 52005.1896 -109835.9180 298.8745 -161841.1076 -109481.4995 298.7468 -84.2182 -53.3470 759807.5641 4.2370 4.1823 PRESSURE: 2953400 15.5629 167.76 118.939 167.758 -313.813 -4.71952 118.94 -4.72074 -375.758 GPRESSURE: 2953400 29.8462 125.828 177.648 188.136 -269.456 13.1013 22.5587 -103.672 -344.873 PRESSAVG: 2953400 2.31236 -56.0685 -4.62675 -56.0686 -20.5414 -69.3568 -4.62673 -69.3569 21.4983 GPRESSAVG: 2953400 3.01444 -56.1986 -6.88235 -53.5438 -20.9855 -69.2716 -5.16005 -67.3311 21.1505 TIMING: 2953400 CPU: 9401.89, 0.00313665/step Wall: 9401.89, 0.00313665/step, 1.78318 hours remaining, 233.691406 MB of memory in use. ENERGY: 2953400 4032.6369 20417.7583 14433.4084 228.6200 -203519.3749 2541.2101 0.0000 0.0000 52077.3844 -109788.3568 299.2894 -161865.7412 -109423.7296 299.1684 -224.6693 -194.8277 760376.4634 1.0897 1.0598 PRESSURE: 2953600 -25.194 100.087 102.367 100.087 220.122 71.7483 102.365 71.748 220.284 GPRESSURE: 2953600 4.8059 122.973 21.9795 149.776 215.936 133.876 210.575 116.27 283.171 PRESSAVG: 2953600 -20.5446 -28.4704 44.2814 -28.4704 -13.4569 -18.6255 44.2814 -18.6255 -11.6638 GPRESSAVG: 2953600 -20.9011 -28.6831 43.996 -28.1953 -13.4779 -18.6113 46.4997 -18.3555 -11.2966 TIMING: 2953600 CPU: 9402.52, 0.0031508/step Wall: 9402.52, 0.0031508/step, 1.79106 hours remaining, 233.691406 MB of memory in use. ENERGY: 2953600 4048.0262 20511.2357 14449.3139 254.3978 -203393.7223 2532.7566 0.0000 0.0000 51842.0479 -109755.9442 297.9370 -161597.9921 -109388.9624 298.7977 138.4041 167.9708 761345.1949 -15.2217 -15.2252 PRESSURE: 2953800 -117.047 -4.63803 135.502 -4.63856 258.542 -209.815 135.502 -209.815 430.547 GPRESSURE: 2953800 -48.0899 -0.751339 73.4486 26.1424 250.51 -213.333 178.416 -143.042 446.175 PRESSAVG: 2953800 -34.7132 -28.288 -15.8441 -28.288 10.224 -16.1576 -15.8441 -16.1575 -28.9095 GPRESSAVG: 2953800 -34.8103 -29.1675 -14.4933 -27.551 10.0468 -15.1561 -18.9097 -19.2514 -29.0936 TIMING: 2953800 CPU: 9403.14, 0.00313709/step Wall: 9403.14, 0.00313709/step, 1.78308 hours remaining, 233.691406 MB of memory in use. ENERGY: 2953800 4019.9434 20323.4951 14424.8781 256.9371 -203957.2198 2883.4690 0.0000 0.0000 51992.4036 -110056.0936 298.8011 -162048.4971 -109688.1987 298.5279 190.6808 216.1983 760899.3342 -17.7996 -17.9523 PRESSURE: 2954000 -34.2283 -95.6646 101.557 -95.6639 305.003 43.8639 101.559 43.8637 178.604 GPRESSURE: 2954000 -19.8389 -248.822 20.9918 -142.27 328.375 78.0152 134.722 -67.6279 225.194 PRESSAVG: 2954000 -11.4436 -47.6818 -18.284 -47.6819 9.50776 -15.3297 -18.284 -15.3297 23.8482 GPRESSAVG: 2954000 -13.1556 -48.1193 -17.4245 -49.8118 10.6976 -17.8035 -19.7389 -12.6311 24.1307 TIMING: 2954000 CPU: 9403.77, 0.00312202/step Wall: 9403.77, 0.00312202/step, 1.77435 hours remaining, 233.691406 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: 2954000 3927.7830 20620.3024 14396.4326 253.3765 -203053.4340 2507.5593 0.0000 0.0000 51765.5072 -109582.4730 297.4971 -161347.9802 -109224.0001 298.9820 149.7928 177.9102 761240.1215 7.3041 7.2242 PRESSURE: 2954200 -129.385 66.0479 -144.784 66.0473 -408.277 -72.2391 -144.784 -72.2393 -195.912 GPRESSURE: 2954200 -107.396 8.471 -213.659 26.3402 -275.382 -23.2546 -208.108 -58.4756 -257.081 PRESSAVG: 2954200 -6.43973 -51.8767 -39.8759 -51.8766 9.33497 -12.9265 -39.8759 -12.9265 10.4723 GPRESSAVG: 2954200 -5.1138 -51.3291 -40.9009 -52.6063 8.09963 -11.0154 -38.2839 -13.2418 10.6367 TIMING: 2954200 CPU: 9404.39, 0.00311663/step Wall: 9404.39, 0.00311663/step, 1.77111 hours remaining, 233.691406 MB of memory in use. ENERGY: 2954200 4081.1716 20504.4002 14478.0707 246.5462 -203633.1053 2587.2222 0.0000 0.0000 52211.3890 -109524.3053 300.0596 -161735.6943 -109153.2373 299.5509 -244.5246 -213.2862 760811.6022 4.4558 4.5408 PRESSURE: 2954400 -9.05168 4.34414 -238.032 4.34431 -200.567 -213.927 -238.032 -213.927 105.281 GPRESSURE: 2954400 25.0253 -72.6065 -205.504 60.4885 -154.82 -190.068 -279.637 -179.481 121.546 PRESSAVG: 2954400 -1.67007 -63.1507 -1.45995 -63.1507 -9.60365 -28.7683 -1.45994 -28.7683 -8.43074 GPRESSAVG: 2954400 -0.938241 -63.2823 -2.58686 -62.9465 -10.1306 -28.1743 -2.69158 -31.8866 -8.85045 TIMING: 2954400 CPU: 9405.02, 0.00312213/step Wall: 9405.02, 0.00312213/step, 1.77406 hours remaining, 233.691406 MB of memory in use. ENERGY: 2954400 3923.3771 20568.4664 14429.8426 264.0509 -203063.6033 2329.0633 0.0000 0.0000 52168.1463 -109380.6567 299.8111 -161548.8029 -109018.0896 299.9468 -34.7793 -2.7496 761742.2111 -6.5682 -6.6398 PRESSURE: 2954600 7.56776 163.337 49.1841 163.337 127.841 -56.4802 49.1842 -56.4804 99.9663 GPRESSURE: 2954600 34.7466 154.938 103.289 82.7634 180.732 -78.8905 78.4461 54.3963 111.94 PRESSAVG: 2954600 -17.7729 -25.3689 -48.0566 -25.3689 27.1108 -46.0299 -48.0566 -46.0299 7.34507 GPRESSAVG: 2954600 -17.8958 -26.001 -46.5865 -23.0163 27.1167 -46.1577 -46.2493 -44.4334 7.62452 TIMING: 2954600 CPU: 9405.64, 0.00312393/step Wall: 9405.64, 0.00312393/step, 1.77492 hours remaining, 233.691406 MB of memory in use. ENERGY: 2954600 3963.1493 20625.4925 14474.2900 252.8142 -203372.6291 2520.9895 0.0000 0.0000 52346.9452 -109188.9483 300.8386 -161535.8936 -108828.3686 300.3477 78.4583 109.1394 760579.3947 5.5610 5.6152 PRESSURE: 2954800 -70.9273 -161.995 111.38 -161.995 -141.796 -166.607 111.381 -166.607 5.77352 GPRESSURE: 2954800 -46.4449 -192.592 137.36 -132.769 -42.9745 -127.893 -1.55616 -71.7849 -42.7251 PRESSAVG: 2954800 -62.7919 -34.497 -43.3787 -34.497 38.8122 -19.1231 -43.3786 -19.123 4.89404 GPRESSAVG: 2954800 -64.76 -31.8031 -42.3566 -36.5015 40.6439 -19.6079 -46.5452 -18.7172 4.85564 TIMING: 2954800 CPU: 9406.27, 0.00314919/step Wall: 9406.27, 0.00314919/step, 1.78909 hours remaining, 233.691406 MB of memory in use. ENERGY: 2954800 4038.2171 20552.0532 14391.4221 242.3517 -203229.6208 2413.9526 0.0000 0.0000 52224.9606 -109366.6636 300.1376 -161591.6242 -108991.1686 300.1896 -68.9834 -44.0482 761545.0319 -6.3619 -6.4202 PRESSURE: 2955000 -185.283 52.3808 161.446 52.3805 -381.162 57.31 161.444 57.3099 -187.731 GPRESSURE: 2955000 -173.573 66.0126 31.9907 42.3647 -282.388 80.7961 325.247 193.019 -210.926 PRESSAVG: 2955000 -31.2212 -76.5155 43.9482 -76.5156 50.2502 2.21112 43.9482 2.21114 2.1191 GPRESSAVG: 2955000 -29.7122 -76.6807 40.8733 -77.8321 49.0543 1.92349 48.4546 2.40685 1.73533 TIMING: 2955000 CPU: 9406.89, 0.00311204/step Wall: 9406.89, 0.00311204/step, 1.76781 hours remaining, 233.691406 MB of memory in use. ENERGY: 2955000 4022.7153 20460.2563 14487.4953 245.1772 -202868.3056 2342.4021 0.0000 0.0000 51866.6224 -109443.6369 298.0782 -161310.2593 -109085.6454 299.0227 -251.3921 -222.2956 760772.6512 7.0494 7.0258 PRESSURE: 2955200 -187.67 74.622 -189.857 74.6223 313.184 -103.31 -189.857 -103.31 398.339 GPRESSURE: 2955200 -115.304 68.8634 -196.116 -6.14105 366.315 -143.286 -186.982 -220.933 365.622 PRESSAVG: 2955200 -36.5065 -29.0193 72.1386 -29.0193 18.8522 -2.12123 72.1386 -2.12127 -18.1148 GPRESSAVG: 2955200 -34.9956 -30.4815 73.1031 -27.6716 18.1994 -2.33786 69.0973 -0.766382 -18.5747 TIMING: 2955200 CPU: 9407.52, 0.0031048/step Wall: 9407.52, 0.0031048/step, 1.76352 hours remaining, 233.691406 MB of memory in use. ENERGY: 2955200 3994.9336 20539.9151 14500.1364 253.7404 -202872.3253 2303.4706 0.0000 0.0000 51953.5571 -109326.5720 298.5778 -161280.1292 -108968.5501 299.5693 174.6177 205.5442 760805.7089 -11.9230 -11.7903 PRESSURE: 2955400 -220.943 -92.5938 109.893 -92.5938 -507.469 -21.1764 109.892 -21.1768 -562.052 GPRESSURE: 2955400 -203.199 -153.282 248.5 -70.2679 -442.749 -17.5383 58.3768 91.8866 -577.211 PRESSAVG: 2955400 -23.5452 -46.6868 12.5054 -46.6868 19.0487 -12.4662 12.5054 -12.4662 10.2035 GPRESSAVG: 2955400 -24.5862 -47.2398 13.9329 -45.9891 19.9269 -11.8765 12.7756 -15.0908 10.4494 TIMING: 2955400 CPU: 9408.14, 0.003113/step Wall: 9408.14, 0.003113/step, 1.76801 hours remaining, 233.691406 MB of memory in use. ENERGY: 2955400 4018.7096 20580.1646 14407.2293 245.6518 -202955.0632 2299.6227 0.0000 0.0000 52129.9421 -109273.7432 299.5915 -161403.6852 -108922.2832 299.5262 -430.1548 -407.7194 761618.1279 1.9023 1.9300 PRESSURE: 2955600 74.1288 40.9283 172.699 40.9275 417.535 -50.6075 172.699 -50.607 58.9284 GPRESSURE: 2955600 95.2498 13.2974 192.976 74.389 347.023 -90.0238 99.4086 -29.3835 184.131 PRESSAVG: 2955600 73.3881 -33.1135 57.3155 -33.1136 1.32692 -24.1251 57.3155 -24.1251 5.94237 GPRESSAVG: 2955600 74.3406 -33.3313 56.5246 -32.2641 0.630708 -24.7003 57.7232 -23.5774 6.00395 TIMING: 2955600 CPU: 9408.76, 0.00311587/step Wall: 9408.76, 0.00311587/step, 1.76947 hours remaining, 233.691406 MB of memory in use. ENERGY: 2955600 3997.0059 20530.7299 14457.7028 256.2281 -203329.4373 2492.2411 0.0000 0.0000 52004.8264 -109590.7032 298.8725 -161595.5296 -109227.2308 299.5996 183.5309 208.8013 759288.5214 26.8858 26.9918 PRESSURE: 2955800 -109.457 -87.6789 -257.819 -87.6778 154.648 200.325 -257.82 200.325 154.939 GPRESSURE: 2955800 -27.875 -136.209 -244.856 -56.1644 223.507 159.675 -147.076 260.65 104.079 PRESSAVG: 2955800 -14.2718 -49.2928 -34.5197 -49.2929 -0.667575 -19.0513 -34.5197 -19.0514 -6.22612 GPRESSAVG: 2955800 -14.7895 -46.6775 -34.4175 -50.282 -0.0934246 -18.0432 -34.0216 -17.5691 -6.18554 TIMING: 2955800 CPU: 9409.39, 0.00313/step Wall: 9409.39, 0.00313/step, 1.77732 hours remaining, 233.691406 MB of memory in use. ENERGY: 2955800 3938.0973 20347.3075 14390.1794 241.8015 -203349.1899 2481.4865 0.0000 0.0000 52128.2020 -109822.1158 299.5815 -161950.3177 -109460.0456 298.9154 66.7102 99.9036 758702.0468 -7.0552 -7.0228 PRESSURE: 2956000 82.8603 -62.2923 64.3625 -62.2923 -82.7282 52.6442 64.3628 52.6441 32.1267 GPRESSURE: 2956000 66.7304 -85.9665 82.5522 -153.304 22.2751 109.146 8.94601 -38.5435 33.186 PRESSAVG: 2956000 -14.8215 -5.27269 2.78129 -5.27269 57.6092 -39.5466 2.78132 -39.5466 7.3654 GPRESSAVG: 2956000 -13.8565 -8.49448 2.74272 -5.33373 56.9198 -39.4781 2.21237 -41.0036 6.80769 TIMING: 2956000 CPU: 9410.01, 0.00311554/step Wall: 9410.01, 0.00311554/step, 1.76893 hours remaining, 233.691406 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: 2956000 3973.3673 20415.4934 14424.5815 250.2486 -203484.2971 2502.0584 0.0000 0.0000 52296.9886 -109621.5592 300.5515 -161918.5478 -109256.5443 299.1095 10.7529 40.7305 759855.3332 16.7177 16.6237 PRESSURE: 2956200 -323.383 -106.62 -73.5074 -106.62 -111.042 118.872 -73.5072 118.871 -203.829 GPRESSURE: 2956200 -339.323 -143.963 -26.0645 -210.095 -53.568 102.594 -117.354 -78.83 -166.978 PRESSAVG: 2956200 -37.1514 -47.0679 23.0812 -47.0678 20.4122 -42.1124 23.0812 -42.1125 -35.1014 GPRESSAVG: 2956200 -37.5052 -46.4272 23.5256 -47.0087 20.4995 -44.0097 23.4855 -40.6953 -34.9494 TIMING: 2956200 CPU: 9410.63, 0.00311599/step Wall: 9410.63, 0.00311599/step, 1.76902 hours remaining, 233.691406 MB of memory in use. ENERGY: 2956200 4048.6966 20616.4276 14462.0490 256.4738 -203272.4684 2448.9692 0.0000 0.0000 52032.2565 -109407.5957 299.0301 -161439.8522 -109059.4302 299.5592 -212.7514 -186.6230 760153.0368 -17.2802 -17.3183 LDB: ============= START OF LOAD BALANCING ============== 9423.05 LDB: ============== END OF LOAD BALANCING =============== 9423.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9423.05 LDB: ============= START OF LOAD BALANCING ============== 9423.36 LDB: Largest compute 7075 load 0.033257 is 17.0% of average load 0.195551 LDB: Average compute 0.004392 is 2.2% of average load 0.195551 LDB: TIME 9423.36 LOAD: AVG 0.195551 MAX 0.216314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 9423.36 LOAD: AVG 0.195551 MAX 0.216314 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 9423.36 LOAD: AVG 0.195551 MAX 0.216314 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 9423.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9423.37 PRESSURE: 2956400 -223.98 -294.424 -240.81 -294.423 -41.0301 -343.29 -240.809 -343.29 -201.321 GPRESSURE: 2956400 -140.453 -334.316 -198.83 -311.932 -125.769 -285.597 -155.041 -275.471 -118.011 PRESSAVG: 2956400 -45.5517 -15.4021 44.3982 -15.402 73.2755 -33.637 44.3981 -33.637 22.3724 GPRESSAVG: 2956400 -46.393 -15.3638 43.1119 -14.8464 73.3748 -31.9302 44.4858 -34.7178 23.4948 TIMING: 2956400 CPU: 9411.27, 0.00316271/step Wall: 9411.27, 0.00316271/step, 1.79537 hours remaining, 232.792969 MB of memory in use. ENERGY: 2956400 4035.7269 20530.1300 14483.1151 255.4537 -203140.3408 2557.0604 0.0000 0.0000 51977.0074 -109301.8474 298.7126 -161278.8547 -108943.7843 300.2212 -155.4436 -128.0775 761022.6415 16.6987 16.8256 PRESSURE: 2956600 -376.934 -8.72288 108.396 -8.72324 -231.733 -21.5088 108.396 -21.5089 -430.836 GPRESSURE: 2956600 -326.595 2.39209 173.767 -98.7787 -228.645 -50.8832 33.9872 43.3966 -393.13 PRESSAVG: 2956600 -64.1341 4.28121 -23.4921 4.2812 15.8571 -32.8717 -23.492 -32.8717 7.85561 GPRESSAVG: 2956600 -64.5329 6.91413 -22.5161 3.6357 17.1588 -32.8714 -24.2919 -32.1841 6.73593 TIMING: 2956600 CPU: 9411.89, 0.00313479/step Wall: 9411.89, 0.00313479/step, 1.77934 hours remaining, 232.792969 MB of memory in use. ENERGY: 2956600 3913.0649 20541.1705 14440.2543 235.7595 -202797.1071 2363.4268 0.0000 0.0000 51835.9007 -109467.5303 297.9016 -161303.4310 -109108.3751 299.0107 -346.5008 -316.1234 763875.3099 -13.4738 -13.5460 PRESSURE: 2956800 -346.433 -13.1006 -81.425 -13.1011 38.3056 33.8144 -81.4256 33.8153 66.3775 GPRESSURE: 2956800 -238.294 65.5523 -89.1777 39.1582 -13.24 100.373 -64.6341 138.463 95.6871 PRESSAVG: 2956800 -71.9348 -9.69582 -17.2164 -9.69585 71.2646 8.55377 -17.2165 8.55379 -11.2009 GPRESSAVG: 2956800 -70.5321 -11.5814 -17.3506 -9.59842 69.6277 7.74805 -16.0333 7.28297 -10.9067 TIMING: 2956800 CPU: 9412.52, 0.00312286/step Wall: 9412.52, 0.00312286/step, 1.7724 hours remaining, 232.996094 MB of memory in use. ENERGY: 2956800 3903.5874 20417.3502 14430.5560 240.5141 -202778.8445 2338.2441 0.0000 0.0000 52027.1549 -109421.4378 299.0008 -161448.5927 -109052.9398 299.0428 -80.5833 -51.9490 761545.9132 -3.9570 -3.9370 PRESSURE: 2957000 -223.209 59.5963 256.961 59.5963 43.4014 -241.652 256.96 -241.652 -59.4721 GPRESSURE: 2957000 -161.155 34.7808 214.489 -148.348 36.5379 -257.552 344.436 -313.376 -18.0619 PRESSAVG: 2957000 -70.4627 -53.87 -7.91262 -53.87 84.3096 -28.2824 -7.91268 -28.2825 6.41358 GPRESSAVG: 2957000 -70.2637 -54.8687 -7.99211 -55.1078 84.8514 -27.4644 -7.13338 -26.9837 5.88377 TIMING: 2957000 CPU: 9413.14, 0.0031082/step Wall: 9413.14, 0.0031082/step, 1.7639 hours remaining, 232.996094 MB of memory in use. ENERGY: 2957000 3977.3054 20421.5055 14451.4504 225.7748 -202820.6140 2412.6950 0.0000 0.0000 52144.2865 -109187.5964 299.6739 -161331.8829 -108822.6603 299.2978 -79.7598 -47.5598 759713.2594 6.7535 6.8238 PRESSURE: 2957200 -398.113 -161.307 31.2924 -161.306 -255.463 30.8348 31.2933 30.8359 -27.9675 GPRESSURE: 2957200 -345.573 -148.23 60.7099 -29.6572 -220.404 3.42471 78.1234 40.7703 -19.7865 PRESSAVG: 2957200 -36.6859 -63.7711 42.3131 -63.771 33.5071 -20.5539 42.3131 -20.5538 14.4937 GPRESSAVG: 2957200 -38.4655 -63.6438 42.644 -62.4463 33.8488 -22.3382 40.3445 -20.7022 15.7296 TIMING: 2957200 CPU: 9413.76, 0.00309842/step Wall: 9413.76, 0.00309842/step, 1.75818 hours remaining, 232.996094 MB of memory in use. ENERGY: 2957200 4011.4205 20572.6962 14473.1008 236.0893 -202545.1008 2135.5835 0.0000 0.0000 51752.1274 -109364.0832 297.4202 -161116.2106 -108992.5651 299.3469 -227.1813 -195.2546 760780.0437 3.7716 3.7043 PRESSURE: 2957400 -151.98 -170.952 -40.2181 -170.951 -13.0697 -211.389 -40.2181 -211.389 221.082 GPRESSURE: 2957400 -178.377 -116.682 -62.0187 -76.2579 28.9181 -325.859 -45.1734 -170.365 261.124 PRESSAVG: 2957400 3.83384 -67.2249 11.9673 -67.2249 -24.4853 4.67066 11.9673 4.67071 -1.6132 GPRESSAVG: 2957400 4.89192 -66.7839 9.99307 -66.5877 -25.3423 4.99442 13.0764 4.45686 -1.36173 TIMING: 2957400 CPU: 9414.38, 0.00311701/step Wall: 9414.38, 0.00311701/step, 1.76856 hours remaining, 232.996094 MB of memory in use. ENERGY: 2957400 3968.7466 20541.4531 14500.5455 258.6627 -203100.3802 2537.4215 0.0000 0.0000 52123.5884 -109169.9626 299.5550 -161293.5510 -108801.6655 299.2881 18.6774 37.2216 760670.8249 -7.4216 -7.2707 PRESSURE: 2957600 236.097 180.753 74.4468 180.754 -58.7756 113.932 74.4467 113.933 -203.735 GPRESSURE: 2957600 259.284 126.04 29.2632 210.362 -39.5472 66.0622 141.122 47.8222 -152.83 PRESSAVG: 2957600 -7.26845 -8.20791 36.3665 -8.20795 -24.0601 -34.6342 36.3665 -34.6343 -17.4441 GPRESSAVG: 2957600 -7.85239 -7.83619 37.5979 -9.62728 -21.9683 -35.252 35.9031 -34.4176 -19.2792 TIMING: 2957600 CPU: 9415, 0.00311282/step Wall: 9415, 0.00311282/step, 1.76601 hours remaining, 232.996094 MB of memory in use. ENERGY: 2957600 3981.8990 20359.3890 14452.5943 256.4913 -203124.0620 2551.4085 0.0000 0.0000 52228.0553 -109294.2246 300.1554 -161522.2799 -108927.2350 300.0509 -8.8045 22.3022 760244.5872 -16.2576 -16.3666 PRESSURE: 2957800 -73.9952 -95.6284 203.885 -95.6279 -23.8779 56.3206 203.885 56.3208 -24.9173 GPRESSURE: 2957800 -129.032 -5.36774 240.752 -79.8904 47.7456 82.0422 192.997 19.5881 32.3578 PRESSAVG: 2957800 -31.5202 4.32594 70.3698 4.32595 77.0532 14.0323 70.3697 14.0324 13.1926 GPRESSAVG: 2957800 -31.8611 3.5364 69.1122 5.00152 76.3792 13.9767 72.2373 15.0535 14.0404 TIMING: 2957800 CPU: 9415.63, 0.00310798/step Wall: 9415.63, 0.00310798/step, 1.76309 hours remaining, 232.996094 MB of memory in use. ENERGY: 2957800 3990.1730 20353.3768 14453.8190 259.1587 -202960.9804 2514.5534 0.0000 0.0000 52049.4206 -109340.4788 299.1287 -161389.8994 -108975.1114 299.8823 -40.9302 -16.3095 761731.9888 19.5752 19.5195 PRESSURE: 2958000 287.836 137.544 -142.041 137.543 311.264 -128.424 -142.041 -128.423 334.186 GPRESSURE: 2958000 344.712 96.0761 -137.321 73.6818 240.22 -123.505 -137.844 -19.2059 434.526 PRESSAVG: 2958000 -76.6137 10.7158 -13.3098 10.7157 79.9086 -22.8221 -13.3097 -22.8221 8.34956 GPRESSAVG: 2958000 -76.4563 11.4899 -11.7182 9.13047 80.3633 -20.9871 -14.6577 -24.4438 8.25693 TIMING: 2958000 CPU: 9416.25, 0.00310797/step Wall: 9416.25, 0.00310797/step, 1.76291 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2958000 3944.0450 20418.7980 14431.8148 241.4433 -203436.6801 2878.4627 0.0000 0.0000 52084.9185 -109437.1978 299.3327 -161522.1163 -109077.0884 299.0742 311.0952 339.8193 759622.9437 3.8815 4.0547 PRESSURE: 2958200 61.5276 66.5232 247.066 66.5222 -112.065 -199.052 247.065 -199.053 124.098 GPRESSURE: 2958200 127.15 104.269 188.585 100.755 -97.6683 -134.463 173.568 -169.431 119.676 PRESSAVG: 2958200 15.9747 -16.0784 -7.75652 -16.0785 15.4694 0.205407 -7.75649 0.20548 -3.04379 GPRESSAVG: 2958200 16.2789 -17.7559 -9.22689 -14.2974 14.6785 0.202944 -8.13093 2.26175 -3.21256 TIMING: 2958200 CPU: 9416.87, 0.00310014/step Wall: 9416.87, 0.00310014/step, 1.7583 hours remaining, 232.996094 MB of memory in use. ENERGY: 2958200 3949.7880 20492.1591 14457.2619 249.3292 -203356.6476 2505.3981 0.0000 0.0000 52123.5333 -109579.1781 299.5547 -161702.7114 -109209.7649 298.8097 24.5201 49.7193 760271.5620 9.4668 9.2483 PRESSURE: 2958400 138.423 -68.1931 113.099 -68.1933 313.228 163.901 113.099 163.9 -82.6094 GPRESSURE: 2958400 131.221 0.746122 103.407 -54.1008 315.909 245.479 63.3466 220.831 5.91944 PRESSAVG: 2958400 1.80548 -4.39449 29.8593 -4.39455 20.94 13.7637 29.8593 13.7637 -2.98981 GPRESSAVG: 2958400 1.42155 -0.781187 31.8841 -4.82247 21.57 13.075 27.61 11.8316 -2.81344 TIMING: 2958400 CPU: 9417.49, 0.00311059/step Wall: 9417.49, 0.00311059/step, 1.76405 hours remaining, 232.996094 MB of memory in use. ENERGY: 2958400 4052.5223 20426.7507 14401.8675 241.7945 -203245.3866 2460.0299 0.0000 0.0000 52048.1420 -109614.2797 299.1214 -161662.4217 -109250.3856 298.8520 123.0137 151.0166 760956.8567 6.5852 6.7260 PRESSURE: 2958600 113.362 -13.0589 -178.306 -13.0586 88.4684 170.607 -178.306 170.607 -57.797 GPRESSURE: 2958600 143.795 -10.4627 -199.678 12.0945 138.231 67.5236 -92.4367 198.66 -40.1489 PRESSAVG: 2958600 -77.69 -7.06565 -18.9805 -7.06566 52.656 -0.643621 -18.9805 -0.643579 -16.7662 GPRESSAVG: 2958600 -77.308 -10.2478 -20.0162 -5.46731 52.7951 0.464417 -16.331 1.14135 -17.2675 TIMING: 2958600 CPU: 9418.11, 0.00311966/step Wall: 9418.11, 0.00311966/step, 1.76902 hours remaining, 232.996094 MB of memory in use. ENERGY: 2958600 3990.0015 20723.5365 14408.9082 230.2291 -203552.8361 2719.2475 0.0000 0.0000 51771.7991 -109709.1142 297.5332 -161480.9133 -109340.1036 298.3983 48.0110 80.6255 760689.0909 -13.9334 -13.9268 PRESSURE: 2958800 130.187 17.5607 -111.474 17.5609 3.23291 -131.947 -111.473 -131.947 217.586 GPRESSURE: 2958800 198.033 -46.0176 -59.2661 15.7952 79.4099 -108.14 -126.34 -160.898 156.365 PRESSAVG: 2958800 -27.1204 -11.2536 41.1051 -11.2536 22.995 -20.6833 41.1051 -20.6833 14.5306 GPRESSAVG: 2958800 -27.9464 -9.47819 40.6452 -13.2837 23.1569 -21.1593 42.7818 -22.0527 14.4385 TIMING: 2958800 CPU: 9418.74, 0.00312093/step Wall: 9418.74, 0.00312093/step, 1.76957 hours remaining, 232.996094 MB of memory in use. ENERGY: 2958800 3968.1524 20454.2534 14389.5168 254.7905 -203632.9185 2593.0384 0.0000 0.0000 52205.1527 -109768.0142 300.0237 -161973.1669 -109408.1588 299.2699 117.0021 144.6027 759586.6243 3.4684 3.2163 PRESSURE: 2959000 29.9303 232.781 -258.804 232.78 307.609 54.9685 -258.804 54.9675 -132.184 GPRESSURE: 2959000 55.112 127.78 -256.576 175.008 338.441 64.4413 -315.449 -97.5776 -106.348 PRESSAVG: 2959000 -29.8983 0.0829029 -30.4696 0.0829782 33.2619 -16.0541 -30.4696 -16.0542 12.1708 GPRESSAVG: 2959000 -28.8962 -1.38913 -27.8322 1.06763 31.5529 -18.0546 -32.6949 -14.4438 12.3654 TIMING: 2959000 CPU: 9419.36, 0.00311464/step Wall: 9419.36, 0.00311464/step, 1.76583 hours remaining, 232.996094 MB of memory in use. ENERGY: 2959000 4044.9864 20398.6999 14360.3537 233.8506 -203488.6966 2539.8234 0.0000 0.0000 52221.6303 -109689.3524 300.1184 -161910.9827 -109320.4394 298.6364 68.4518 95.7353 760319.8448 5.1781 5.0074 PRESSURE: 2959200 120.486 -43.7369 52.3054 -43.7364 130.55 29.1815 52.3053 29.1816 -69.8495 GPRESSURE: 2959200 115.494 -200.025 31.5056 5.87801 126.33 -36.7564 11.593 -5.39949 25.6069 PRESSAVG: 2959200 -24.7152 10.0982 -15.9197 10.0981 16.0048 -76.9203 -15.9198 -76.9204 -11.3463 GPRESSAVG: 2959200 -26.1658 9.46413 -16.1069 10.4344 17.4485 -75.2254 -16.7861 -79.0147 -10.9747 TIMING: 2959200 CPU: 9419.98, 0.00309798/step Wall: 9419.98, 0.00309798/step, 1.75621 hours remaining, 232.996094 MB of memory in use. ENERGY: 2959200 3946.4979 20460.6127 14368.3662 246.9166 -203781.2222 3018.5656 0.0000 0.0000 52037.2323 -109703.0309 299.0587 -161740.2632 -109344.5809 299.2665 60.3953 89.1436 761952.8673 -6.6856 -6.5640 PRESSURE: 2959400 28.4474 -97.0335 -48.0385 -97.0339 -201.675 89.0639 -48.039 89.0637 154.5 GPRESSURE: 2959400 133.726 -130.81 -62.0689 -64.8632 -168.061 82.0642 -21.3747 24.6229 115.861 PRESSAVG: 2959400 -5.06379 13.3908 -11.1283 13.3908 -24.1967 -43.7921 -11.1282 -43.7921 9.68773 GPRESSAVG: 2959400 -4.56409 15.5804 -13.7949 12.1193 -24.3929 -44.8325 -9.43431 -44.1501 9.90725 TIMING: 2959400 CPU: 9420.6, 0.0031025/step Wall: 9420.6, 0.0031025/step, 1.7586 hours remaining, 233.066406 MB of memory in use. ENERGY: 2959400 4011.5766 20431.4826 14420.8807 247.7373 -203389.2763 2689.5855 0.0000 0.0000 51998.6110 -109589.4026 298.8367 -161588.0136 -109228.8791 299.0765 -6.2425 27.1754 763421.0894 -6.5243 -6.3499 PRESSURE: 2959600 -279.475 -43.7506 -125.646 -43.7506 -114.763 59.2551 -125.645 59.2548 40.7724 GPRESSURE: 2959600 -267.519 31.1216 -90.5667 -81.8013 -121 42.0942 -108.281 62.4178 119.288 PRESSAVG: 2959600 -38.1078 -1.86095 28.8909 -1.86093 24.1465 -47.162 28.8909 -47.162 3.57492 GPRESSAVG: 2959600 -38.385 -2.73613 29.7313 -0.929727 23.1257 -46.1738 27.6829 -48.0611 4.56236 TIMING: 2959600 CPU: 9421.22, 0.0030971/step Wall: 9421.22, 0.0030971/step, 1.75537 hours remaining, 233.066406 MB of memory in use. ENERGY: 2959600 3940.7524 20520.1628 14368.9047 225.0081 -203029.8049 2419.9639 0.0000 0.0000 51957.6630 -109597.3499 298.6014 -161555.0129 -109221.1575 299.0467 -117.8220 -89.7433 764127.8539 -3.4621 -3.5657 PRESSURE: 2959800 110.724 -80.0393 167.737 -80.0389 103.546 97.1302 167.737 97.1301 52.8246 GPRESSURE: 2959800 243.885 -92.0506 144.092 -262.604 95.4 123.33 171.685 13.6471 8.49834 PRESSAVG: 2959800 -26.8878 30.6388 -7.52401 30.6388 -6.40478 -26.4857 -7.524 -26.4857 25.8358 GPRESSAVG: 2959800 -26.2262 29.9817 -7.21057 28.3351 -6.73605 -26.5796 -8.06898 -24.9758 25.3189 TIMING: 2959800 CPU: 9421.84, 0.00309886/step Wall: 9421.84, 0.00309886/step, 1.75619 hours remaining, 233.066406 MB of memory in use. ENERGY: 2959800 3901.6871 20429.2873 14404.8386 264.6741 -203461.1338 2575.3962 0.0000 0.0000 52281.5152 -109603.7354 300.4626 -161885.2506 -109247.1121 299.1184 89.0317 115.9277 761168.6768 -2.4856 -2.5478 PRESSURE: 2960000 -10.605 285.834 -83.9775 285.834 164.971 32.1834 -83.977 32.1841 169.614 GPRESSURE: 2960000 17.2291 349.273 -57.2229 177.297 231.718 -37.8404 -143.053 53.245 157.213 PRESSAVG: 2960000 -15.0173 -21.6728 32.4855 -21.6728 27.8093 3.80039 32.4855 3.80044 5.64455 GPRESSAVG: 2960000 -15.9019 -23.5462 31.7955 -20.7054 29.8223 3.21351 34.4384 3.57858 4.47412 TIMING: 2960000 CPU: 9422.46, 0.00310681/step Wall: 9422.46, 0.00310681/step, 1.76052 hours remaining, 233.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2960000 3919.0100 20487.6133 14345.1646 237.6313 -203295.3153 2680.0807 0.0000 0.0000 52125.1661 -109500.6492 299.5640 -161625.8153 -109147.9755 299.0451 107.9936 135.3865 760995.3713 6.1455 6.1315 PRESSURE: 2960200 -313.049 121.17 215.671 121.169 -38.9915 34.6803 215.67 34.6808 -7.41594 GPRESSURE: 2960200 -261.84 60.8516 196.839 181.472 -100.034 -95.669 59.5155 -79.6571 75.5439 PRESSAVG: 2960200 -22.568 1.88821 13.3502 1.88821 37.8846 56.1476 13.3501 56.1476 -11.5353 GPRESSAVG: 2960200 -22.5841 3.16128 13.3954 0.327038 35.9681 56.0125 10.2505 55.243 -10.1511 TIMING: 2960200 CPU: 9423.08, 0.00310681/step Wall: 9423.08, 0.00310681/step, 1.76035 hours remaining, 233.066406 MB of memory in use. ENERGY: 2960200 3958.3100 20523.3405 14466.7471 256.2039 -203546.4658 2784.5531 0.0000 0.0000 52268.9095 -109288.4016 300.3901 -161557.3111 -108918.4975 299.5393 -119.8189 -95.4434 761539.0127 1.2605 1.0776 LDB: ============= START OF LOAD BALANCING ============== 9435.5 LDB: ============== END OF LOAD BALANCING =============== 9435.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9435.5 LDB: ============= START OF LOAD BALANCING ============== 9435.81 LDB: Largest compute 7075 load 0.033962 is 17.4% of average load 0.195579 LDB: Average compute 0.004375 is 2.2% of average load 0.195579 LDB: TIME 9435.82 LOAD: AVG 0.195579 MAX 0.215481 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.504 MB LDB: TIME 9435.82 LOAD: AVG 0.195579 MAX 0.215481 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: TIME 9435.82 LOAD: AVG 0.195579 MAX 0.215481 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: ============== END OF LOAD BALANCING =============== 9435.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9435.83 PRESSURE: 2960400 45.8853 26.8104 251.554 26.8104 -258.317 -197.15 251.554 -197.149 223.295 GPRESSURE: 2960400 53.1522 28.5058 275.097 43.0201 -121.994 -295.79 248.852 -85.118 172.508 PRESSAVG: 2960400 -6.79409 -2.35969 -33.227 -2.35965 -11.7872 -33.2958 -33.227 -33.2958 -6.23271 GPRESSAVG: 2960400 -6.70774 -1.47237 -32.3293 -1.3395 -11.4827 -33.8277 -28.5691 -31.3528 -6.99696 TIMING: 2960400 CPU: 9423.72, 0.00318326/step Wall: 9423.72, 0.00318326/step, 1.80349 hours remaining, 233.105469 MB of memory in use. ENERGY: 2960400 4080.2248 20357.3504 14406.2519 261.0285 -203421.1260 2655.4028 0.0000 0.0000 52366.6194 -109294.2481 300.9517 -161660.8675 -108938.4835 300.1791 3.6209 34.5555 760920.6684 -8.2713 -8.3958 PRESSURE: 2960600 -188.511 87.4038 -74.8413 87.4038 -147.501 -38.3139 -74.8423 -38.3145 -120.458 GPRESSURE: 2960600 -161.115 2.16629 -81.1976 27.5482 -98.6075 -17.9928 -1.83895 -56.8537 -107.533 PRESSAVG: 2960600 4.59069 51.5792 14.5219 51.5793 -15.831 -42.9133 14.5218 -42.9134 0.00312609 GPRESSAVG: 2960600 3.28008 50.7019 13.2445 52.751 -14.4742 -42.2323 14.16 -42.894 0.337046 TIMING: 2960600 CPU: 9424.34, 0.00309795/step Wall: 9424.34, 0.00309795/step, 1.75499 hours remaining, 233.308594 MB of memory in use. ENERGY: 2960600 3950.8362 20423.3797 14388.8023 247.2629 -203416.6362 2586.9296 0.0000 0.0000 52172.2572 -109647.1682 299.8347 -161819.4255 -109280.5593 299.2071 -152.1568 -122.4185 762155.5235 -3.7457 -3.6190 PRESSURE: 2960800 242.101 -60.3773 245.187 -60.3764 -118.155 122.067 245.188 122.066 149.199 GPRESSURE: 2960800 348.689 18.1731 273.484 15.7111 -189.562 170.625 251.166 23.8865 197.386 PRESSAVG: 2960800 -17.6208 10.1858 -42.9213 10.1858 48.6409 -50.3668 -42.9214 -50.367 -7.22569 GPRESSAVG: 2960800 -15.8168 9.25079 -42.8545 9.15512 46.8344 -50.6713 -42.8441 -51.0393 -6.86516 TIMING: 2960800 CPU: 9424.96, 0.00309517/step Wall: 9424.96, 0.00309517/step, 1.75324 hours remaining, 233.308594 MB of memory in use. ENERGY: 2960800 4007.0880 20564.8974 14268.6250 256.6042 -203861.8548 2958.2560 0.0000 0.0000 52174.5475 -109631.8367 299.8478 -161806.3842 -109272.9852 299.0845 91.0482 118.8378 760281.8077 7.9315 8.0508 PRESSURE: 2961000 -169.638 26.9899 -154.607 26.9893 -98.4683 138.65 -154.607 138.65 -450.809 GPRESSURE: 2961000 -214.102 44.8336 -181.556 21.4868 -66.0721 104.761 -119.342 -20.6012 -381.757 PRESSAVG: 2961000 -5.39167 42.9601 -35.0258 42.9601 13.3207 51.0087 -35.0257 51.0087 23.8597 GPRESSAVG: 2961000 -5.53552 42.2464 -34.6971 42.7921 13.7857 50.4343 -37.4962 50.5886 23.3838 TIMING: 2961000 CPU: 9425.58, 0.00310282/step Wall: 9425.58, 0.00310282/step, 1.7574 hours remaining, 233.308594 MB of memory in use. ENERGY: 2961000 4001.8812 20609.5378 14425.8699 240.5595 -203693.1206 2715.0555 0.0000 0.0000 52086.6833 -109613.5333 299.3429 -161700.2166 -109253.9968 299.3862 -239.6383 -220.6437 760022.7414 10.5962 10.5447 PRESSURE: 2961200 232.207 144.016 -145.163 144.016 440.592 -46.4431 -145.164 -46.4431 192.552 GPRESSURE: 2961200 276.202 118.834 -139.667 134.891 442.604 -65.1933 -40.8904 -135.976 220.28 PRESSAVG: 2961200 21.4155 42.8724 -42.1937 42.8724 -48.3384 15.2101 -42.1938 15.21 16.9416 GPRESSAVG: 2961200 21.4354 44.4611 -40.4784 43.2714 -48.1989 15.1572 -41.8909 14.1577 17.2572 TIMING: 2961200 CPU: 9426.2, 0.00310645/step Wall: 9426.2, 0.00310645/step, 1.75929 hours remaining, 233.308594 MB of memory in use. ENERGY: 2961200 4013.5938 20472.9884 14423.7692 236.4939 -203574.3247 2634.7079 0.0000 0.0000 52184.9745 -109607.7971 299.9078 -161792.7716 -109252.9273 299.3050 288.4504 313.0284 758480.2162 -3.3271 -3.1687 PRESSURE: 2961400 -220.508 -30.5082 62.5383 -30.5081 -45.048 -210.632 62.5391 -210.633 80.3277 GPRESSURE: 2961400 -111.947 34.5564 91.9373 -11.1112 -78.9895 -136.015 -31.9695 -195.846 75.6926 PRESSAVG: 2961400 -10.4705 5.53246 -14.1207 5.53249 14.6214 -13.3295 -14.1208 -13.3295 15.2998 GPRESSAVG: 2961400 -10.6626 4.10398 -14.2626 7.21257 14.9793 -11.4194 -13.2914 -13.1899 14.4997 TIMING: 2961400 CPU: 9426.82, 0.00310111/step Wall: 9426.82, 0.00310111/step, 1.75609 hours remaining, 233.710938 MB of memory in use. ENERGY: 2961400 3927.2302 20511.8142 14426.6743 259.7267 -203336.1981 2133.5460 0.0000 0.0000 52002.5427 -110074.6641 298.8593 -162077.2068 -109710.3159 299.0781 -61.7426 -38.4146 758274.4364 6.4836 6.2722 PRESSURE: 2961600 -178.867 46.5035 -371.457 46.5034 -258.701 68.1474 -371.457 68.1471 -432.161 GPRESSURE: 2961600 -203.311 30.042 -377.288 120.574 -189.595 88.0966 -337.442 -60.6257 -402.021 PRESSAVG: 2961600 33.0057 41.3124 0.799996 41.3125 -11.328 -21.5084 0.799985 -21.5084 -10.4611 GPRESSAVG: 2961600 31.8907 42.6349 -0.544003 38.4646 -11.1007 -24.7765 0.815029 -20.5941 -9.64377 TIMING: 2961600 CPU: 9427.44, 0.00311129/step Wall: 9427.44, 0.00311129/step, 1.76168 hours remaining, 233.781250 MB of memory in use. ENERGY: 2961600 3980.7219 20387.6791 14389.9746 245.8107 -203192.2943 2255.2593 0.0000 0.0000 51950.1149 -109982.7338 298.5580 -161932.8487 -109621.3126 298.0338 -289.9098 -264.9755 758841.4659 3.7389 3.7154 PRESSURE: 2961800 -214.315 104.703 201.662 104.703 -371.317 1.82392 201.662 1.82245 -413.132 GPRESSURE: 2961800 -224.026 13.1772 196.719 -4.10889 -339.989 0.577232 147.304 -4.09931 -351.298 PRESSAVG: 2961800 2.96357 7.26237 -16.4222 7.2624 -29.9038 24.34 -16.4222 24.34 -4.86176 GPRESSAVG: 2961800 3.11588 7.58856 -16.8194 9.4123 -29.7131 27.262 -16.739 23.3056 -5.31501 TIMING: 2961800 CPU: 9428.07, 0.00311457/step Wall: 9428.07, 0.00311457/step, 1.76336 hours remaining, 233.781250 MB of memory in use. ENERGY: 2961800 3976.3582 20427.9539 14455.6038 252.1224 -203723.6053 2633.6086 0.0000 0.0000 52076.1966 -109901.7618 299.2826 -161977.9584 -109540.3171 298.4250 -332.9215 -305.1046 758955.4749 -10.6007 -10.6374 PRESSURE: 2962000 267.547 44.763 230.094 44.7633 33.9209 69.9121 230.094 69.9118 -495.969 GPRESSURE: 2962000 292.72 92.6519 243.656 32.1938 -12.4454 177.572 234.391 26.8737 -379.453 PRESSAVG: 2962000 73.2765 -35.2292 18.2824 -35.2292 -71.9722 -7.57489 18.2824 -7.57483 6.38152 GPRESSAVG: 2962000 74.1007 -35.7292 20.9484 -35.5319 -73.0356 -6.75978 15.5612 -8.83582 6.20698 TIMING: 2962000 CPU: 9428.69, 0.00310744/step Wall: 9428.69, 0.00310744/step, 1.75915 hours remaining, 233.781250 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: 2962000 3987.7511 20451.9064 14457.7297 255.2278 -203700.0994 2610.9822 0.0000 0.0000 51997.6367 -109938.8654 298.8311 -161936.5021 -109570.1500 298.7218 -64.8338 -33.0595 758737.1940 2.5619 2.4240 PRESSURE: 2962200 -193.44 117.393 -16.612 117.393 -249.981 -1.56072 -16.6138 -1.56097 -60.6339 GPRESSURE: 2962200 -168.991 88.0799 -53.1463 22.5609 -190.129 -36.5426 59.996 -23.6184 -52.8502 PRESSAVG: 2962200 8.52068 3.10059 -15.5889 3.10069 21.6847 -22.7133 -15.5889 -22.7133 3.15501 GPRESSAVG: 2962200 8.12395 2.86617 -18.6066 2.13793 21.6158 -24.8162 -13.1538 -21.016 3.73892 TIMING: 2962200 CPU: 9429.31, 0.0031033/step Wall: 9429.31, 0.0031033/step, 1.75664 hours remaining, 233.781250 MB of memory in use. ENERGY: 2962200 4051.7275 20518.1872 14431.2910 222.8944 -203604.1195 2427.5137 0.0000 0.0000 52011.6502 -109940.8555 298.9117 -161952.5057 -109572.8281 298.9467 -168.0180 -137.3233 757879.5032 11.1201 11.1596 PRESSURE: 2962400 -203.985 120.151 -51.1505 120.15 204.944 -148.447 -51.1508 -148.447 471.473 GPRESSURE: 2962400 -138.149 100.639 0.84509 69.3973 187.203 -177.316 -43.8602 -151.637 515.499 PRESSAVG: 2962400 -3.81292 2.87759 -31.5558 2.87755 -21.6794 -23.527 -31.5558 -23.527 28.4352 GPRESSAVG: 2962400 -2.92989 2.88383 -29.8555 2.87991 -22.0999 -22.1036 -33.0188 -23.759 28.4471 TIMING: 2962400 CPU: 9429.93, 0.00309997/step Wall: 9429.93, 0.00309997/step, 1.75458 hours remaining, 233.781250 MB of memory in use. ENERGY: 2962400 3984.8516 20568.2084 14412.8298 264.5854 -203661.8109 2841.7391 0.0000 0.0000 52172.9031 -109416.6935 299.8384 -161589.5967 -109052.5314 299.1939 157.4771 188.1844 759840.8004 0.9810 1.1391 PRESSURE: 2962600 -17.3729 -111.79 -231.204 -111.79 158.974 -201.53 -231.204 -201.53 -96.9472 GPRESSURE: 2962600 81.7793 -174.7 -214.943 -148.777 119.374 -209.932 -109.46 -135.512 -72.1586 PRESSAVG: 2962600 7.71677 -27.5772 -13.7097 -27.5772 -29.7706 -69.0259 -13.7098 -69.0258 15.5599 GPRESSAVG: 2962600 8.77608 -25.7549 -14.5113 -27.5088 -29.2754 -68.3748 -12.4059 -68.9478 14.2821 TIMING: 2962600 CPU: 9430.55, 0.00312262/step Wall: 9430.55, 0.00312262/step, 1.76723 hours remaining, 233.781250 MB of memory in use. ENERGY: 2962600 4000.3305 20358.2725 14457.0383 234.4338 -203296.0001 2686.4089 0.0000 0.0000 52226.4064 -109333.1098 300.1459 -161559.5161 -108965.7711 300.0306 14.8846 42.9982 760144.2786 -2.1647 -2.0724 PRESSURE: 2962800 -182.002 -1.23219 -89.3829 -1.23258 -34.221 -109.243 -89.3825 -109.243 -201.91 GPRESSURE: 2962800 -206.779 -93.0403 -121.774 105.546 21.793 -73.93 -66.9106 -4.78034 -165.453 PRESSAVG: 2962800 18.9689 -0.213907 27.1594 -0.214 -33.621 -0.255496 27.1594 -0.255582 -14.6054 GPRESSAVG: 2962800 17.4452 0.475641 26.6221 -0.662382 -34.0143 -0.413324 26.3712 -1.61495 -13.3913 TIMING: 2962800 CPU: 9431.18, 0.00313028/step Wall: 9431.18, 0.00313028/step, 1.77139 hours remaining, 233.781250 MB of memory in use. ENERGY: 2962800 3941.2071 20553.1878 14489.7473 249.7186 -202751.4360 2420.0561 0.0000 0.0000 51895.9057 -109201.6134 298.2465 -161097.5192 -108842.5982 299.9970 -139.3776 -116.8131 762696.2301 -9.7525 -9.9868 PRESSURE: 2963000 -197.831 209.224 -151.241 209.223 -56.1996 13.4729 -151.24 13.4727 30.5734 GPRESSURE: 2963000 -203.5 251.684 -137.889 257.037 -29.682 -12.3038 -170.05 71.5202 106.986 PRESSAVG: 2963000 21.7932 -26.9161 -14.0816 -26.916 -11.4736 4.22648 -14.0817 4.22656 -0.81221 GPRESSAVG: 2963000 21.2463 -28.2675 -13.8426 -25.3697 -10.3077 4.32101 -14.6711 5.19488 -1.63846 TIMING: 2963000 CPU: 9431.8, 0.00312458/step Wall: 9431.8, 0.00312458/step, 1.76799 hours remaining, 233.781250 MB of memory in use. ENERGY: 2963000 4076.4497 20494.5161 14451.2799 221.3729 -203555.9063 2611.9927 0.0000 0.0000 52210.6859 -109489.6091 300.0555 -161700.2950 -109133.8129 299.6979 -74.4856 -42.0654 760914.2378 3.1691 3.1001 PRESSURE: 2963200 225.323 -90.2226 279.297 -90.2218 94.7862 75.5522 279.297 75.5515 315.316 GPRESSURE: 2963200 213.947 -207.82 178.015 -27.6397 234.108 104.039 241.483 -89.8104 276.544 PRESSAVG: 2963200 -73.6763 35.1545 -34.8327 35.1545 42.2785 22.795 -34.8328 22.7949 25.4683 GPRESSAVG: 2963200 -71.9808 35.6169 -34.4371 34.9201 40.9971 23.343 -34.4837 23.9067 25.0244 TIMING: 2963200 CPU: 9432.43, 0.00311891/step Wall: 9432.43, 0.00311891/step, 1.76461 hours remaining, 233.781250 MB of memory in use. ENERGY: 2963200 3985.1153 20549.4294 14390.8369 234.1699 -203621.0429 2617.7744 0.0000 0.0000 52169.8345 -109673.8825 299.8208 -161843.7170 -109319.8257 299.2417 211.8082 241.5330 759197.2536 -1.9765 -1.9864 PRESSURE: 2963400 -28.4256 -0.145074 36.1762 -0.145775 32.6842 44.2546 36.1763 44.2546 -151.829 GPRESSURE: 2963400 43.638 -131.355 85.1889 -37.2274 49.6455 18.6352 29.0107 -69.3995 -175.594 PRESSAVG: 2963400 -49.6094 -62.271 -52.0916 -62.271 29.1138 10.5157 -52.0917 10.5155 7.85873 GPRESSAVG: 2963400 -51.9919 -64.6081 -52.194 -62.037 29.8968 8.77721 -51.143 8.16065 8.66458 TIMING: 2963400 CPU: 9433.05, 0.00310997/step Wall: 9433.05, 0.00310997/step, 1.75938 hours remaining, 233.781250 MB of memory in use. ENERGY: 2963400 3955.2384 20589.9026 14431.6375 239.3359 -203321.3182 2446.0110 0.0000 0.0000 51971.3882 -109687.8047 298.6803 -161659.1929 -109328.5762 298.9094 -49.1902 -27.4369 761342.1924 -4.2123 -4.4768 PRESSURE: 2963600 381.81 85.6785 -154.201 85.678 240.549 159.853 -154.201 159.853 483.632 GPRESSURE: 2963600 489.665 -24.9204 -151.328 11.8738 289.814 245.367 -150.583 222.685 421.64 PRESSAVG: 2963600 -2.4168 -19.0585 -36.1052 -19.0585 16.6745 5.16075 -36.1052 5.16077 2.54008 GPRESSAVG: 2963600 -2.49053 -16.8657 -36.3396 -19.4417 15.9085 5.62013 -37.063 7.33715 2.4696 TIMING: 2963600 CPU: 9433.67, 0.00310595/step Wall: 9433.67, 0.00310595/step, 1.75693 hours remaining, 233.781250 MB of memory in use. ENERGY: 2963600 3955.7625 20360.5442 14451.5993 252.9464 -203925.6206 3084.4699 0.0000 0.0000 52106.1630 -109714.1353 299.4548 -161820.2983 -109342.7673 299.2642 368.6636 400.3729 760469.3617 5.5992 5.2958 PRESSURE: 2963800 -238.865 -128.208 181.127 -128.208 123.319 -40.5902 181.127 -40.5898 286.307 GPRESSURE: 2963800 -167.958 -161.631 181.101 -63.9139 147.606 -101.015 162.031 1.90628 265.903 PRESSAVG: 2963800 30.3925 7.3241 24.8599 7.32415 13.5779 28.4514 24.8599 28.4514 8.26795 GPRESSAVG: 2963800 31.5282 8.27115 26.1776 9.11953 13.4075 29.7752 25.8816 27.781 7.66275 TIMING: 2963800 CPU: 9434.29, 0.00311265/step Wall: 9434.29, 0.00311265/step, 1.76055 hours remaining, 233.781250 MB of memory in use. ENERGY: 2963800 3969.7072 20453.7559 14535.5130 250.5818 -203307.2299 2276.4949 0.0000 0.0000 52120.8774 -109700.2996 299.5394 -161821.1771 -109340.0257 299.1045 56.9205 81.8502 759974.0555 17.4128 17.5328 PRESSURE: 2964000 18.4366 -36.3742 4.52924 -36.3746 37.6027 147.386 4.52975 147.387 -96.6117 GPRESSURE: 2964000 117.941 -83.5128 23.6766 -29.2271 -15.6823 217.148 38.7192 193.483 -62.0858 PRESSAVG: 2964000 19.3502 -38.5972 -27.1001 -38.5971 -3.19386 47.9239 -27.1 47.9238 -4.66306 GPRESSAVG: 2964000 18.3607 -40.0048 -28.1833 -41.1564 -2.57868 46.5999 -27.6197 48.2997 -4.21306 TIMING: 2964000 CPU: 9434.91, 0.00310419/step Wall: 9434.91, 0.00310419/step, 1.75559 hours remaining, 233.781250 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: 2964000 3994.7059 20470.8156 14409.0185 248.3354 -203666.1688 2560.0474 0.0000 0.0000 52484.2424 -109499.0036 301.6277 -161983.2461 -109135.5805 299.5949 -13.5241 13.3909 760272.6195 3.8311 3.8563 PRESSURE: 2964200 56.1193 -221.841 162.376 -221.84 309.569 267.914 162.376 267.914 -22.8924 GPRESSURE: 2964200 188.451 -172.085 177.256 -160.268 268.258 156.433 92.0963 250.827 -27.2555 PRESSAVG: 2964200 -26.3182 -19.5871 5.54177 -19.5872 20.5434 19.9471 5.54177 19.9471 12.4052 GPRESSAVG: 2964200 -25.6241 -20.2181 5.3866 -19.6348 19.708 20.1144 7.8942 20.1962 12.2304 TIMING: 2964200 CPU: 9435.54, 0.00311182/step Wall: 9435.54, 0.00311182/step, 1.75973 hours remaining, 233.781250 MB of memory in use. ENERGY: 2964200 4109.7622 20420.1366 14533.0237 259.7314 -203851.4325 2787.4163 0.0000 0.0000 52000.6476 -109740.7148 298.8484 -161741.3624 -109385.7258 299.7986 114.2653 143.1511 758518.2797 2.2101 2.1048 LDB: ============= START OF LOAD BALANCING ============== 9447.95 LDB: ============== END OF LOAD BALANCING =============== 9447.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9447.95 LDB: ============= START OF LOAD BALANCING ============== 9448.26 LDB: Largest compute 7075 load 0.033854 is 17.3% of average load 0.195472 LDB: Average compute 0.004390 is 2.2% of average load 0.195472 LDB: TIME 9448.27 LOAD: AVG 0.195472 MAX 0.217094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.875 MB LDB: TIME 9448.27 LOAD: AVG 0.195472 MAX 0.217094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.078 MB LDB: TIME 9448.27 LOAD: AVG 0.195472 MAX 0.217094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.078 MB LDB: ============== END OF LOAD BALANCING =============== 9448.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9448.28 PRESSURE: 2964400 197.324 -64.9693 57.2011 -64.9695 -173.599 128.032 57.2003 128.032 -49.2713 GPRESSURE: 2964400 204.102 17.1415 30.2981 -50.678 -106.861 77.7301 76.5431 123.187 -38.5597 PRESSAVG: 2964400 43.2174 -18.3498 15.8733 -18.3498 -1.39561 -3.79053 15.8733 -3.79059 -27.5155 GPRESSAVG: 2964400 42.8328 -17.766 14.7966 -16.7396 -0.819901 -3.05645 14.7283 -4.18812 -27.9585 TIMING: 2964400 CPU: 9436.17, 0.00317282/step Wall: 9436.17, 0.00317282/step, 1.79406 hours remaining, 234.066406 MB of memory in use. ENERGY: 2964400 4029.6205 20602.9335 14505.3988 255.2889 -203723.9960 2346.0461 0.0000 0.0000 51950.3173 -110034.3908 298.5592 -161984.7081 -109673.6136 299.0973 -8.5154 19.5605 756851.0670 4.7688 4.6848 PRESSURE: 2964600 -175.656 -239.577 -31.2985 -239.576 140.441 -88.0212 -31.2982 -88.0217 -4.12193 GPRESSURE: 2964600 -97.8025 -302.816 26.027 -206.933 124.714 -160.248 -17.4877 6.81813 5.43932 PRESSAVG: 2964600 -10.1908 -47.9504 -38.9188 -47.9503 9.02248 36.5268 -38.9188 36.5268 15.4556 GPRESSAVG: 2964600 -10.7164 -49.6814 -38.3682 -47.6846 8.06518 35.0542 -39.6972 36.6152 16.9816 TIMING: 2964600 CPU: 9436.79, 0.00310944/step Wall: 9436.79, 0.00310944/step, 1.75804 hours remaining, 234.269531 MB of memory in use. ENERGY: 2964600 4045.6814 20532.6133 14417.0625 251.9849 -203458.9124 2363.2773 0.0000 0.0000 52098.7951 -109749.4977 299.4125 -161848.2928 -109393.4389 298.5314 -13.1121 10.7835 759085.6201 4.7624 4.7768 PRESSURE: 2964800 -29.2036 -75.8406 -261.673 -75.8394 462.205 -4.37899 -261.673 -4.37897 -49.904 GPRESSURE: 2964800 58.854 -27.9348 -168.118 -128.082 408.605 -6.54184 -370.296 -41.2924 10.8601 PRESSAVG: 2964800 -9.48165 -55.0829 -26.2379 -55.0829 -7.7895 45.291 -26.2379 45.291 -13.8302 GPRESSAVG: 2964800 -9.58096 -51.7287 -27.1728 -56.6419 -7.47347 44.1426 -26.4509 46.0156 -13.3738 TIMING: 2964800 CPU: 9437.42, 0.00312535/step Wall: 9437.42, 0.00312535/step, 1.76686 hours remaining, 234.527344 MB of memory in use. ENERGY: 2964800 4004.3708 20630.5518 14545.6809 232.2202 -203627.1596 2639.6347 0.0000 0.0000 51845.4908 -109729.2103 297.9567 -161574.7011 -109375.5537 299.4091 127.6990 159.4398 759259.8560 -10.3671 -10.1427 PRESSURE: 2965000 244.189 -16.4631 126.722 -16.4628 305.639 -16.8069 126.722 -16.8062 307.826 GPRESSURE: 2965000 356.873 -139.076 174.338 -32.8039 279.797 -83.8305 131.437 -47.0483 323.388 PRESSAVG: 2965000 -3.42023 -17.2329 3.55096 -17.2328 32.1166 -14.6131 3.55093 -14.613 8.52264 GPRESSAVG: 2965000 -2.26178 -18.0788 3.06308 -18.1183 31.263 -11.2497 4.76155 -16.6827 8.27737 TIMING: 2965000 CPU: 9438.04, 0.00311524/step Wall: 9438.04, 0.00311524/step, 1.76097 hours remaining, 234.527344 MB of memory in use. ENERGY: 2965000 4034.4218 20352.3243 14543.8974 245.1854 -203528.0379 2386.9154 0.0000 0.0000 52261.4378 -109703.8559 300.3472 -161965.2937 -109327.4567 299.5975 285.8846 320.0191 759386.5021 12.4063 12.4262 PRESSURE: 2965200 270.404 -80.3412 -253.251 -80.3412 32.9203 -241.627 -253.25 -241.627 -302.155 GPRESSURE: 2965200 311.051 -49.5042 -229.463 -54.7711 -9.84383 -232.233 -244.533 -244.802 -210.496 PRESSAVG: 2965200 29.3234 21.0129 23.1429 21.0128 -0.975552 28.2587 23.1429 28.2586 -9.9689 GPRESSAVG: 2965200 28.9228 21.533 23.9102 22.8493 0.248722 27.0363 22.796 29.7755 -10.9601 TIMING: 2965200 CPU: 9438.66, 0.00310273/step Wall: 9438.66, 0.00310273/step, 1.75373 hours remaining, 234.527344 MB of memory in use. ENERGY: 2965200 3990.9530 20507.6447 14487.5534 254.7538 -203268.8423 2618.4736 0.0000 0.0000 51913.8475 -109495.6163 298.3496 -161409.4637 -109130.8966 299.2440 0.3897 30.2370 760948.7122 6.1263 6.0705 PRESSURE: 2965400 -102.645 141.598 42.0672 141.597 -67.8495 -1.209 42.0671 -1.20871 -244.977 GPRESSURE: 2965400 -98.2649 115.657 0.914089 35.9828 -66.5839 -28.7324 33.1544 -73.8088 -172.412 PRESSAVG: 2965400 35.9237 0.805257 -18.9228 0.805307 -74.8037 35.7783 -18.9229 35.7783 -22.461 GPRESSAVG: 2965400 35.055 -0.0540643 -17.9162 0.962425 -76.3509 36.1562 -18.0398 33.8451 -20.2876 TIMING: 2965400 CPU: 9439.28, 0.00310803/step Wall: 9439.28, 0.00310803/step, 1.75656 hours remaining, 234.527344 MB of memory in use. ENERGY: 2965400 4041.4680 20649.0196 14511.1336 234.5935 -203403.3251 2377.1065 0.0000 0.0000 52079.7410 -109510.2628 299.3030 -161590.0038 -109154.0185 299.3104 -138.4904 -112.4202 760721.7231 -20.4470 -20.5278 PRESSURE: 2965600 128.761 93.1612 -43.1235 93.1622 -77.2771 204.962 -43.1236 204.962 112.992 GPRESSURE: 2965600 169.25 38.2845 41.8566 1.62421 -23.0566 249.069 18.3047 165.753 129.175 PRESSAVG: 2965600 62.1394 33.0583 -1.14703 33.0582 -71.4425 -12.1926 -1.14704 -12.1925 18.1446 GPRESSAVG: 2965600 64.2385 32.0667 -1.64889 32.456 -71.2295 -11.8186 -0.916135 -10.4043 15.963 TIMING: 2965600 CPU: 9439.91, 0.0031171/step Wall: 9439.91, 0.0031171/step, 1.76151 hours remaining, 234.527344 MB of memory in use. ENERGY: 2965600 4008.0322 20487.2567 14503.7975 256.4647 -203185.8831 2523.1345 0.0000 0.0000 52140.4319 -109266.7657 299.6518 -161407.1976 -108907.8655 299.6446 54.8254 91.7896 760521.2712 2.9472 2.9907 PRESSURE: 2965800 -294.013 -210.743 -244.374 -210.744 -50.9984 -91.0885 -244.373 -91.087 151.981 GPRESSURE: 2965800 -328.116 -283.481 -197.674 -84.456 -1.04973 -77.2184 -321.33 -98.8926 233.21 PRESSAVG: 2965800 6.80508 -33.1498 -16.8715 -33.1497 -6.19339 0.813445 -16.8714 0.813419 0.764126 GPRESSAVG: 2965800 5.56583 -33.2261 -17.1436 -34.1062 -5.86235 -0.0810056 -18.245 -0.411263 1.58205 TIMING: 2965800 CPU: 9440.53, 0.00310837/step Wall: 9440.53, 0.00310837/step, 1.7564 hours remaining, 234.527344 MB of memory in use. ENERGY: 2965800 4036.7795 20584.4451 14533.5310 250.1045 -203370.1487 2358.8903 0.0000 0.0000 52395.8988 -109210.4995 301.1200 -161606.3983 -108836.9801 299.9413 -64.3433 -31.9852 760232.3337 0.4586 0.4285 PRESSURE: 2966000 77.3608 -94.971 125.36 -94.9699 -150.22 -209.648 125.359 -209.648 -60.1398 GPRESSURE: 2966000 60.7145 -79.208 54.9106 77.1889 -109.049 -140.785 147.705 -232.875 -15.3673 PRESSAVG: 2966000 15.0334 -38.7706 -14.044 -38.7707 33.604 -20.7461 -14.0441 -20.7461 21.6168 GPRESSAVG: 2966000 14.7948 -38.3579 -12.7063 -37.1408 33.0293 -21.8749 -15.4744 -18.2606 22.2273 TIMING: 2966000 CPU: 9441.15, 0.00310883/step Wall: 9441.15, 0.00310883/step, 1.75649 hours remaining, 234.527344 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: 2966000 3987.6949 20638.6690 14443.7616 252.4485 -203232.1950 2472.0649 0.0000 0.0000 52212.3890 -109225.1670 300.0653 -161437.5561 -108864.6919 300.2970 -44.3331 -21.2338 760238.3145 23.4181 23.3505 PRESSURE: 2966200 -105.007 -33.1819 109.525 -33.1822 22.8061 234.293 109.523 234.292 -108.483 GPRESSURE: 2966200 4.5454 -76.7863 72.4785 -86.4349 -55.6591 216.105 -58.0109 149.695 -42.1888 PRESSAVG: 2966200 -15.1432 -67.1397 -1.12467 -67.1397 75.2811 -44.6868 -1.12475 -44.6867 5.77937 GPRESSAVG: 2966200 -15.413 -67.4292 -2.51214 -66.4244 75.5125 -42.762 0.182403 -45.8527 5.98284 TIMING: 2966200 CPU: 9441.77, 0.00310225/step Wall: 9441.77, 0.00310225/step, 1.7526 hours remaining, 234.527344 MB of memory in use. ENERGY: 2966200 4026.9066 20552.2379 14457.9978 261.1337 -203226.4405 2462.2270 0.0000 0.0000 52168.8691 -109297.0684 299.8152 -161465.9375 -108931.9565 299.4304 -63.5613 -31.1009 759318.4363 21.9724 22.0275 PRESSURE: 2966400 -199.785 -48.0746 -34.9017 -48.0739 76.6449 -5.65645 -34.901 -5.65648 14.0941 GPRESSURE: 2966400 -153.512 -130.664 2.83831 42.3268 88.4816 -47.4839 -25.3881 -47.5704 44.7726 PRESSAVG: 2966400 -61.9732 -43.8824 22.0964 -43.8825 49.939 1.30786 22.0964 1.30787 -7.98367 GPRESSAVG: 2966400 -60.5699 -43.4814 21.5409 -45.4113 49.1485 0.863625 24.998 -0.367312 -9.0679 TIMING: 2966400 CPU: 9442.39, 0.00311479/step Wall: 9442.39, 0.00311479/step, 1.75951 hours remaining, 234.527344 MB of memory in use. ENERGY: 2966400 4038.6856 20546.7853 14512.4954 255.0544 -203153.5664 2474.3334 0.0000 0.0000 52066.1885 -109260.0236 299.2251 -161326.2121 -108900.7000 299.6087 -36.3487 -6.7526 761572.4174 -6.6726 -6.8298 PRESSURE: 2966600 141.926 -115.699 77.0923 -115.698 69.2375 -1.07716 77.092 -1.0779 330.319 GPRESSURE: 2966600 95.6849 16.576 185.239 -115.435 173.462 -73.3142 -22.6831 188.642 366.663 PRESSAVG: 2966600 -5.37184 -41.0875 -2.88398 -41.0875 56.9317 6.52416 -2.88384 6.5242 -7.30969 GPRESSAVG: 2966600 -6.38134 -40.5533 -0.790266 -41.6364 57.2529 5.79991 -5.86805 8.35091 -6.61195 TIMING: 2966600 CPU: 9443.02, 0.00313637/step Wall: 9443.02, 0.00313637/step, 1.77153 hours remaining, 234.527344 MB of memory in use. ENERGY: 2966600 3902.2601 20634.3629 14482.2810 242.6778 -203275.1322 2732.2388 0.0000 0.0000 52153.6124 -109127.6993 299.7275 -161281.3117 -108765.1741 300.1175 180.4939 211.9365 760751.5477 14.7501 14.7532 PRESSURE: 2966800 -161.771 90.98 32.5137 90.9798 -211.509 -49.5069 32.5157 -49.508 75.3222 GPRESSURE: 2966800 -81.7506 18.8135 52.164 100.445 -313.805 15.607 22.3344 -127.894 151.564 PRESSAVG: 2966800 -27.3992 -85.1976 12.2041 -85.1976 12.251 14.7047 12.2042 14.7047 15.4031 GPRESSAVG: 2966800 -27.1338 -86.3327 12.9914 -84.8046 12.8851 15.3905 12.7342 15.0497 14.0339 TIMING: 2966800 CPU: 9443.64, 0.00312212/step Wall: 9443.64, 0.00312212/step, 1.7633 hours remaining, 234.527344 MB of memory in use. ENERGY: 2966800 3990.8189 20826.0284 14539.7990 250.5387 -203503.1547 2565.6594 0.0000 0.0000 52152.7043 -109177.6060 299.7223 -161330.3102 -108810.1480 299.6560 -99.3191 -81.3305 761342.4301 0.0850 -0.0716 PRESSURE: 2967000 -154.677 67.2998 -321.507 67.3 -269.987 135.909 -321.506 135.909 221.227 GPRESSURE: 2967000 -108.153 140.723 -284.104 49.6526 -263.942 153.292 -318.28 117.197 257.275 PRESSAVG: 2967000 -80.873 -2.44576 -2.11276 -2.4458 31.3114 28.1073 -2.11277 28.1072 12.0137 GPRESSAVG: 2967000 -81.2855 -3.09278 -2.85478 -1.55862 29.8198 28.849 -3.06818 28.7011 13.7814 TIMING: 2967000 CPU: 9444.27, 0.0031028/step Wall: 9444.27, 0.0031028/step, 1.75222 hours remaining, 234.527344 MB of memory in use. ENERGY: 2967000 3942.0066 20622.1085 14522.6428 251.4930 -203398.6434 2648.1351 0.0000 0.0000 52132.4419 -109279.8155 299.6059 -161412.2574 -108920.5618 299.8229 -67.8124 -38.2736 760444.0159 -12.5160 -12.5614 PRESSURE: 2967200 -460.793 -26.4484 -41.3001 -26.448 -464.037 65.3936 -41.3005 65.3943 -361.976 GPRESSURE: 2967200 -422.495 -15.9801 -10.0892 51.8189 -337.462 10.1892 42.2983 46.3726 -443.84 PRESSAVG: 2967200 -51.6445 2.44596 -60.7524 2.44594 73.0849 27.5271 -60.7524 27.5271 -5.82138 GPRESSAVG: 2967200 -50.9341 1.90045 -60.9942 2.78563 74.679 25.5685 -61.6478 25.8381 -8.00131 TIMING: 2967200 CPU: 9444.88, 0.00309406/step Wall: 9444.88, 0.00309406/step, 1.74711 hours remaining, 234.527344 MB of memory in use. ENERGY: 2967200 4042.6722 20616.2377 14478.5498 262.6417 -203226.4117 2404.2380 0.0000 0.0000 52235.8905 -109186.1819 300.2004 -161422.0723 -108823.2350 300.1441 -428.9352 -401.2655 761620.1498 5.2063 5.2479 PRESSURE: 2967400 -149.32 28.404 35.6605 28.4039 51.0984 82.215 35.6604 82.2147 194.548 GPRESSURE: 2967400 -111.489 7.27181 -67.1007 6.1154 54.7943 96.4714 88.8783 192.045 228.488 PRESSAVG: 2967400 69.2768 -0.230064 -15.5053 -0.230011 -31.9978 31.6894 -15.5053 31.6894 10.6816 GPRESSAVG: 2967400 69.6148 1.48612 -15.408 -1.66408 -31.963 32.912 -14.3568 34.7807 10.6269 TIMING: 2967400 CPU: 9445.5, 0.00309618/step Wall: 9445.5, 0.00309619/step, 1.74814 hours remaining, 234.527344 MB of memory in use. ENERGY: 2967400 4025.2449 20688.6107 14536.6257 264.4985 -203293.5595 2453.2581 0.0000 0.0000 52037.4897 -109287.8318 299.0602 -161325.3215 -108931.6876 299.9140 32.1089 57.2644 760262.6144 15.9869 16.0929 PRESSURE: 2967600 -133.122 -121.35 -98.6481 -121.351 -346.32 -42.8646 -98.6487 -42.865 -173.992 GPRESSURE: 2967600 -143.972 -132.399 -165.846 -140.927 -239.687 -95.7479 -52.861 -70.9234 -189.239 PRESSAVG: 2967600 -13.8026 -9.33113 -1.19188 -9.33109 17.8957 22.8185 -1.19191 22.8185 -10.1642 GPRESSAVG: 2967600 -14.4903 -8.76598 -2.56641 -7.96314 17.2039 23.1673 -0.0106053 21.8997 -9.4472 TIMING: 2967600 CPU: 9446.13, 0.00311547/step Wall: 9446.13, 0.00311547/step, 1.75886 hours remaining, 234.527344 MB of memory in use. ENERGY: 2967600 4044.3642 20360.3864 14468.3583 248.8149 -203058.9700 2362.1586 0.0000 0.0000 52183.0767 -109391.8108 299.8969 -161574.8875 -109030.7253 299.4260 -217.8116 -190.9660 760813.7836 -2.0237 -2.2445 PRESSURE: 2967800 98.4646 13.1548 71.4982 13.1544 69.8668 -136.444 71.4983 -136.445 129.196 GPRESSURE: 2967800 101.292 -24.8796 82.8241 69.0498 72.7169 -27.2134 90.4893 -128.613 192.973 PRESSAVG: 2967800 -13.9864 14.5797 -24.7327 14.5797 51.9733 -29.216 -24.7327 -29.2161 -1.55494 GPRESSAVG: 2967800 -13.7683 15.0434 -24.5153 11.3738 52.4896 -29.3047 -24.97 -30.7675 -2.79238 TIMING: 2967800 CPU: 9446.75, 0.00309639/step Wall: 9446.75, 0.00309639/step, 1.74791 hours remaining, 234.527344 MB of memory in use. ENERGY: 2967800 3947.7392 20498.2592 14547.3877 254.0415 -203381.5273 2566.1057 0.0000 0.0000 52266.6137 -109301.3803 300.3769 -161567.9941 -108936.1952 299.6277 99.1759 122.3275 761327.0260 12.1440 11.9763 PRESSURE: 2968000 320.405 76.0572 -238.248 76.0565 12.2006 22.3134 -238.25 22.3134 173.471 GPRESSURE: 2968000 355.272 128.87 -246.788 42.9752 -5.12972 24.7341 -143.072 20.1197 223.967 PRESSAVG: 2968000 -0.272272 15.1953 -25.3412 15.1954 47.4853 17.5025 -25.3412 17.5025 -2.08161 GPRESSAVG: 2968000 0.0740437 15.1935 -25.2833 16.7829 46.6453 17.888 -24.7082 18.2534 -1.70064 TIMING: 2968000 CPU: 9447.37, 0.00311066/step Wall: 9447.37, 0.00311066/step, 1.75579 hours remaining, 234.527344 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: 2968000 3944.0455 20587.1691 14473.1839 242.4157 -203226.0323 2758.8901 0.0000 0.0000 51837.6509 -109382.6771 297.9117 -161220.3280 -109025.3775 299.9132 168.6922 191.3697 761183.1660 15.0438 15.0062 PRESSURE: 2968200 124.572 -46.561 15.1645 -46.5602 -349.152 231.917 15.165 231.917 -352.346 GPRESSURE: 2968200 138.293 22.8806 33.5008 -78.5466 -286.225 218.89 -112.993 111.454 -336.582 PRESSAVG: 2968200 -44.7128 -12.1842 -52.9597 -12.1842 12.9132 18.5924 -52.9597 18.5924 -4.15773 GPRESSAVG: 2968200 -45.6085 -14.1087 -53.6146 -12.6931 13.4511 16.785 -52.2124 19.1622 -3.2653 TIMING: 2968200 CPU: 9447.99, 0.00310909/step Wall: 9447.99, 0.00310909/step, 1.75473 hours remaining, 234.527344 MB of memory in use. ENERGY: 2968200 4007.1557 20471.4496 14448.5755 226.7302 -202858.6853 2297.3900 0.0000 0.0000 51968.8146 -109438.5696 298.6655 -161407.3843 -109075.5109 299.5823 -192.3083 -161.5047 761365.9152 -11.9858 -11.8076 LDB: ============= START OF LOAD BALANCING ============== 9460.41 LDB: ============== END OF LOAD BALANCING =============== 9460.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9460.41 LDB: ============= START OF LOAD BALANCING ============== 9460.73 LDB: Largest compute 7075 load 0.035988 is 18.4% of average load 0.195445 LDB: Average compute 0.004396 is 2.2% of average load 0.195445 LDB: TIME 9460.73 LOAD: AVG 0.195445 MAX 0.216224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 9460.73 LOAD: AVG 0.195445 MAX 0.216224 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: TIME 9460.73 LOAD: AVG 0.195445 MAX 0.216224 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: ============== END OF LOAD BALANCING =============== 9460.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9460.74 PRESSURE: 2968400 12.9133 96.3621 145.441 96.3619 -357.346 -77.4597 145.442 -77.459 -120.197 GPRESSURE: 2968400 54.4831 -8.06768 54.4219 25.5062 -268.793 -55.8186 98.6342 -92.5299 -142.852 PRESSAVG: 2968400 -4.24691 25.312 13.829 25.312 -25.6072 -20.9076 13.829 -20.9076 6.69238 GPRESSAVG: 2968400 -2.38522 23.7871 15.0329 27.0015 -26.2921 -18.5395 11.7879 -24.7404 5.95123 TIMING: 2968400 CPU: 9448.63, 0.0032227/step Wall: 9448.63, 0.0032227/step, 1.81868 hours remaining, 235.292969 MB of memory in use. ENERGY: 2968400 3909.0520 20558.5461 14421.3959 234.4636 -203548.2127 2574.3538 0.0000 0.0000 52377.1609 -109473.2404 301.0123 -161850.4013 -109101.0816 299.2407 -154.8763 -119.0538 762157.6808 -7.7206 -7.5754 PRESSURE: 2968600 -15.3817 -32.7439 -219.506 -32.7449 -375.994 72.0195 -219.506 72.0205 -233.479 GPRESSURE: 2968600 61.2614 71.8181 -172.174 8.62983 -325.088 51.258 -219.687 63.8334 -283.27 PRESSAVG: 2968600 44.2409 35.059 -2.95227 35.059 -48.618 -25.7932 -2.95229 -25.7933 11.6919 GPRESSAVG: 2968600 41.9069 35.4711 -5.37676 36.7911 -46.2185 -26.8547 -2.21381 -22.7346 11.0911 TIMING: 2968600 CPU: 9449.26, 0.00313774/step Wall: 9449.26, 0.00313774/step, 1.77056 hours remaining, 235.496094 MB of memory in use. ENERGY: 2968600 4031.4032 20733.5807 14395.7747 242.9029 -203453.1606 2663.3368 0.0000 0.0000 51901.5021 -109484.6602 298.2786 -161386.1623 -109116.7507 299.8722 -208.2848 -182.3655 761026.0896 2.4383 2.2598 PRESSURE: 2968800 -50.0651 100.439 205.057 100.44 -530.667 -81.6866 205.057 -81.6858 105.853 GPRESSURE: 2968800 -41.7565 185.286 249.295 92.8673 -487.62 -3.42676 240.291 -247.321 116.209 PRESSAVG: 2968800 70.5583 29.5192 27.594 29.5192 -60.4036 -45.101 27.594 -45.1009 -16.0786 GPRESSAVG: 2968800 71.5742 31.0273 30.8439 27.6883 -61.3438 -45.2998 28.6035 -46.301 -16.51 TIMING: 2968800 CPU: 9449.89, 0.00312493/step Wall: 9449.89, 0.00312493/step, 1.76316 hours remaining, 235.496094 MB of memory in use. ENERGY: 2968800 4014.8658 20572.4173 14530.5566 228.1854 -202956.2593 2374.5659 0.0000 0.0000 51629.6733 -109605.9951 296.7164 -161235.6684 -109235.7158 299.2690 -158.2932 -137.7226 762568.4534 -1.9746 -2.0932 PRESSURE: 2969000 -113.877 84.5885 -26.2616 84.5877 -14.1395 -280.232 -26.2621 -280.232 199.475 GPRESSURE: 2969000 -14.3462 36.0925 -75.0174 13.5186 80.9809 -318.738 -71.3129 -327.602 85.936 PRESSAVG: 2969000 -43.2293 30.6812 56.7277 30.6812 7.1998 -25.5794 56.7276 -25.5794 21.1413 GPRESSAVG: 2969000 -43.468 31.7717 55.4165 29.9222 7.05854 -26.2923 54.8539 -22.8126 21.3846 TIMING: 2969000 CPU: 9450.51, 0.00310457/step Wall: 9450.51, 0.00310457/step, 1.75149 hours remaining, 235.496094 MB of memory in use. ENERGY: 2969000 3974.8140 20484.7852 14488.1169 258.2158 -203632.2101 2552.0162 0.0000 0.0000 52028.0705 -109846.1916 299.0060 -161874.2620 -109475.2075 299.1809 23.8194 50.8569 760983.8864 -4.9627 -5.0083 PRESSURE: 2969200 -65.029 -259.523 -7.15614 -259.522 348.23 54.3285 -7.15541 54.3287 82.8249 GPRESSURE: 2969200 25.1894 -288.534 23.3497 -132.908 312.23 108.87 -50.1629 170.153 103.375 PRESSAVG: 2969200 11.7166 -15.4794 -0.0142728 -15.4795 0.314531 -24.2293 -0.0142834 -24.2293 1.80802 GPRESSAVG: 2969200 12.6648 -16.8601 0.952055 -14.0134 -0.631034 -22.2604 -1.96547 -26.2199 1.899 TIMING: 2969200 CPU: 9451.13, 0.00310742/step Wall: 9451.13, 0.00310742/step, 1.75293 hours remaining, 235.496094 MB of memory in use. ENERGY: 2969200 4012.8769 20462.6838 14509.2698 262.1843 -203617.6370 2726.8504 0.0000 0.0000 51738.6866 -109905.0852 297.3429 -161643.7718 -109552.7600 298.7373 122.0085 146.9314 759738.4997 4.6130 4.6442 PRESSURE: 2969400 58.2681 -176.493 -84.078 -176.494 -112.6 -184.269 -84.0782 -184.27 158.745 GPRESSURE: 2969400 215.019 -156.528 -125.829 -143.596 -125.744 -186.266 -131.597 -134.1 116.37 PRESSAVG: 2969400 12.0879 -20.4524 -30.2918 -20.4524 -23.0503 -38.3234 -30.2917 -38.3234 12.6912 GPRESSAVG: 2969400 12.7419 -18.2624 -33.059 -22.488 -23.4282 -38.8459 -26.06 -38.2319 12.261 TIMING: 2969400 CPU: 9451.75, 0.00311631/step Wall: 9451.75, 0.00311631/step, 1.75777 hours remaining, 235.496094 MB of memory in use. ENERGY: 2969400 3951.6701 20593.6097 14463.4693 240.8334 -203681.2716 2524.1788 0.0000 0.0000 52192.9844 -109714.5259 299.9538 -161907.5103 -109353.2266 299.3036 34.8042 68.5481 761081.7303 0.5763 0.5249 PRESSURE: 2969600 -265.55 -31.2215 161.93 -31.2218 129.272 238.337 161.93 238.338 102.607 GPRESSURE: 2969600 -184.345 77.0732 136.84 -94.7388 82.8865 174.703 242.357 281.556 167.051 PRESSAVG: 2969600 -16.1237 -45.3469 -8.67668 -45.3468 29.6743 -27.3714 -8.67671 -27.3714 -29.7518 GPRESSAVG: 2969600 -17.6742 -46.2707 -5.5231 -45.3124 30.0508 -29.4443 -10.1083 -29.2509 -28.2369 TIMING: 2969600 CPU: 9452.37, 0.00311176/step Wall: 9452.37, 0.00311176/step, 1.75503 hours remaining, 235.496094 MB of memory in use. ENERGY: 2969600 3970.1913 20303.5739 14455.4256 239.6886 -203363.8178 2616.3384 0.0000 0.0000 52101.9186 -109676.6815 299.4304 -161778.6001 -109316.8920 299.7148 -11.2239 21.8642 761544.2490 -5.4004 -5.2868 PRESSURE: 2969800 92.6098 -46.8763 221.196 -46.8765 -155.418 -127.741 221.196 -127.742 -95.3688 GPRESSURE: 2969800 158.05 12.3295 145.836 -105.976 -149.067 -75.5063 228.633 -127.011 -93.3577 PRESSAVG: 2969800 -32.1176 14.8228 -4.37546 14.8227 67.8155 -34.1179 -4.37548 -34.1179 -2.96024 GPRESSAVG: 2969800 -31.8689 15.6949 -5.92873 14.9483 67.5982 -32.6213 -3.40403 -31.0633 -3.5495 TIMING: 2969800 CPU: 9453, 0.00313119/step Wall: 9453, 0.00313119/step, 1.76582 hours remaining, 235.496094 MB of memory in use. ENERGY: 2969800 3952.5351 20387.4334 14458.3138 235.3153 -202907.5398 2100.6896 0.0000 0.0000 52053.5693 -109719.6834 299.1526 -161773.2527 -109349.2083 299.0511 -52.7257 -28.1248 759278.9364 10.9126 10.7266 PRESSURE: 2970000 136.384 -278.662 101.864 -278.662 141.123 -74.1127 101.864 -74.113 6.09363 GPRESSURE: 2970000 149.737 -200.268 91.0504 -272.002 210.466 -24.1984 149.454 -175.526 -8.84008 PRESSAVG: 2970000 -10.3811 -4.95934 25.427 -4.95932 47.8007 -76.6358 25.427 -76.6358 2.6014 GPRESSAVG: 2970000 -9.70012 -7.76517 26.0962 -4.96533 47.7104 -76.4588 24.3093 -77.284 2.67811 TIMING: 2970000 CPU: 9453.62, 0.00311788/step Wall: 9453.62, 0.00311788/step, 1.75814 hours remaining, 235.496094 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: 2970000 4024.4751 20628.5354 14441.3805 243.0084 -203187.9519 2376.7980 0.0000 0.0000 51886.3244 -109587.4301 298.1914 -161473.7545 -109238.2249 299.3600 94.5337 117.1211 758699.6114 13.3403 13.5628 PRESSURE: 2970200 180.12 -79.0091 192.016 -79.0093 267.574 16.9426 192.016 16.942 84.8542 GPRESSURE: 2970200 117.386 -52.0423 147.7 -105.365 330.17 -3.6093 268.928 92.7957 161.873 PRESSAVG: 2970200 17.3547 -65.2918 11.9234 -65.2918 1.61337 28.2744 11.9233 28.2744 16.2225 GPRESSAVG: 2970200 16.6069 -63.3573 9.92458 -64.3729 1.69411 27.3523 11.8986 27.367 16.368 TIMING: 2970200 CPU: 9454.25, 0.00311031/step Wall: 9454.25, 0.00311031/step, 1.75369 hours remaining, 235.496094 MB of memory in use. ENERGY: 2970200 3928.8765 20588.6098 14408.6126 227.0713 -203560.0595 2651.3293 0.0000 0.0000 51951.6751 -109803.8849 298.5670 -161755.5600 -109436.6406 299.2061 177.5162 203.1432 761284.3719 11.7302 11.5563 PRESSURE: 2970400 -59.7805 -63.8875 -312.492 -63.8877 -111.86 49.917 -312.491 49.9171 49.3338 GPRESSURE: 2970400 -57.841 -83.6067 -270.408 20.23 13.6653 -15.3217 -153.923 88.8347 15.3175 PRESSAVG: 2970400 -34.983 -57.8632 -14.3046 -57.8633 13.2193 0.419699 -14.3047 0.419579 6.65173 GPRESSAVG: 2970400 -34.1964 -56.6712 -11.752 -56.8725 14.0823 2.10032 -14.8882 2.90348 5.62063 TIMING: 2970400 CPU: 9454.87, 0.0031025/step Wall: 9454.87, 0.0031025/step, 1.74912 hours remaining, 235.496094 MB of memory in use. ENERGY: 2970400 4029.9408 20364.4256 14402.7028 253.3064 -202736.6215 2158.7892 0.0000 0.0000 51875.8732 -109651.5834 298.1314 -161527.4567 -109278.0910 298.7122 -40.7688 -9.6194 761749.2977 -5.0373 -4.8312 PRESSURE: 2970600 55.8434 236.414 115.169 236.414 33.9384 -186.805 115.169 -186.804 434.267 GPRESSURE: 2970600 124.922 295.17 219.673 45.2612 54.704 -123.589 -22.3138 -133.886 433.281 PRESSAVG: 2970600 -53.4694 -11.672 54.7223 -11.672 15.3839 -3.0994 54.7224 -3.09936 14.1652 GPRESSAVG: 2970600 -52.8182 -13.7314 53.4573 -13.1354 14.6632 -3.38012 54.3781 -6.70902 14.3925 TIMING: 2970600 CPU: 9455.49, 0.00312304/step Wall: 9455.49, 0.00312304/step, 1.76053 hours remaining, 235.496094 MB of memory in use. ENERGY: 2970600 3892.6607 20465.7121 14453.7904 252.0934 -203540.7876 2603.9850 0.0000 0.0000 52050.0414 -109822.5047 299.1323 -161872.5461 -109468.2694 298.2682 174.6830 204.3023 760045.9108 -7.9734 -7.9208 PRESSURE: 2970800 -182.328 -103.742 -38.9935 -103.742 82.8794 -18.5219 -38.9936 -18.5216 322.316 GPRESSURE: 2970800 -98.9435 -288.237 -32.0885 -121.565 64.1623 -46.8547 22.0839 35.3323 365.959 PRESSAVG: 2970800 -86.0132 -45.9689 14.0764 -45.9689 37.6721 -7.92967 14.0764 -7.92966 -4.19474 GPRESSAVG: 2970800 -87.6209 -46.467 14.4644 -46.0144 40.0618 -8.04253 15.1897 -8.25967 -4.48421 TIMING: 2970800 CPU: 9456.12, 0.00311866/step Wall: 9456.12, 0.00311866/step, 1.75788 hours remaining, 235.496094 MB of memory in use. ENERGY: 2970800 3941.9597 20460.4555 14359.5589 251.8625 -203522.3531 2542.2527 0.0000 0.0000 52072.7227 -109893.5411 299.2627 -161966.2638 -109535.7686 298.6328 74.2889 110.3926 760515.5560 -17.5120 -17.3478 PRESSURE: 2971000 224.306 -79.5319 -259.812 -79.5317 174.646 -45.8024 -259.812 -45.8024 295.99 GPRESSURE: 2971000 230.099 93.2486 -174.107 -94.4509 214.453 -43.8854 -206.278 73.0299 331.691 PRESSAVG: 2971000 -25.2716 -76.817 35.598 -76.8169 29.6392 -12.4366 35.598 -12.4365 14.1455 GPRESSAVG: 2971000 -24.0071 -76.3703 35.0872 -77.2956 27.476 -12.24 36.0927 -9.87167 15.2045 TIMING: 2971000 CPU: 9456.74, 0.0030998/step Wall: 9456.74, 0.0030998/step, 1.74708 hours remaining, 235.496094 MB of memory in use. ENERGY: 2971000 3880.1465 20423.3611 14507.8249 262.1524 -203795.6650 2845.8785 0.0000 0.0000 51751.0841 -110125.2175 297.4142 -161876.3016 -109759.6682 298.5861 231.6476 258.7475 758904.2243 6.1710 6.2245 PRESSURE: 2971200 -206.22 18.8303 166.666 18.8306 -16.1161 -18.6792 166.666 -18.6801 -97.0108 GPRESSURE: 2971200 -191.398 54.6075 280.999 -49.088 38.6133 0.24689 25.8674 2.57165 -88.0812 PRESSAVG: 2971200 -20.3851 -57.7671 -7.76955 -57.7671 51.6745 47.7406 -7.76952 47.7406 3.30369 GPRESSAVG: 2971200 -22.165 -57.6876 -8.86945 -56.7744 53.4002 46.4046 -6.76333 48.4018 3.08069 TIMING: 2971200 CPU: 9457.35, 0.00309366/step Wall: 9457.35, 0.00309366/step, 1.74345 hours remaining, 235.496094 MB of memory in use. ENERGY: 2971200 3916.1446 20503.6523 14405.7153 262.2571 -203930.6250 2860.1403 0.0000 0.0000 52137.7751 -109844.9403 299.6365 -161982.7154 -109487.3736 299.0376 -106.4489 -80.2885 760974.5721 11.5310 11.4386 PRESSURE: 2971400 -19.5698 -213.999 225.31 -213.998 -391.361 -89.0093 225.311 -89.009 -162.412 GPRESSURE: 2971400 -2.61778 -169.071 172.575 -178.817 -336.307 -169.717 180.695 -21.0867 -158.647 PRESSAVG: 2971400 14.391 -23.2657 2.92656 -23.2657 12.338 -6.44211 2.92665 -6.44205 -17.0443 GPRESSAVG: 2971400 15.34 -22.9974 3.93761 -23.4003 11.2564 -7.31628 1.98975 -8.52848 -16.889 TIMING: 2971400 CPU: 9457.97, 0.00310251/step Wall: 9457.97, 0.00310251/step, 1.74826 hours remaining, 235.496094 MB of memory in use. ENERGY: 2971400 3982.3310 20513.0771 14419.1137 269.5921 -203563.5577 2647.3648 0.0000 0.0000 51759.6248 -109972.4542 297.4633 -161732.0790 -109616.1556 298.8383 -191.1142 -165.8573 759554.0793 3.2282 3.2358 PRESSURE: 2971600 52.6893 56.8948 290.048 56.8959 -66.2593 -212.801 290.048 -212.8 56.1721 GPRESSURE: 2971600 72.5936 78.9805 222.319 92.0444 43.8772 -259.131 246.51 -168.036 0.788249 PRESSAVG: 2971600 -21.785 -51.5436 42.8454 -51.5436 -28.1731 -6.9008 42.8453 -6.90087 32.5228 GPRESSAVG: 2971600 -22.1112 -51.6954 42.9841 -52.4424 -27.257 -6.44479 43.1606 -6.0077 31.6766 TIMING: 2971600 CPU: 9458.59, 0.00310144/step Wall: 9458.59, 0.00310144/step, 1.74749 hours remaining, 235.496094 MB of memory in use. ENERGY: 2971600 4047.7794 20573.3020 14461.5986 267.7686 -203531.9999 2448.0747 0.0000 0.0000 51833.0199 -109900.4567 297.8851 -161733.4766 -109538.3061 298.3264 14.2007 39.0863 759762.3732 -5.8118 -5.8972 PRESSURE: 2971800 -191.468 -59.423 -100.317 -59.4234 -73.347 -189.992 -100.317 -189.991 102.258 GPRESSURE: 2971800 -235.284 -25.8299 -155.766 -174.49 43.057 -184.727 -97.1572 -39.4775 93.3729 PRESSAVG: 2971800 -99.0234 -57.4681 -31.8281 -57.4681 39.1144 -13.1005 -31.8281 -13.1004 -4.80733 GPRESSAVG: 2971800 -99.2319 -57.8717 -30.6287 -57.59 38.4761 -12.8528 -33.2779 -14.5744 -3.54737 TIMING: 2971800 CPU: 9459.22, 0.0031132/step Wall: 9459.22, 0.0031132/step, 1.75394 hours remaining, 235.496094 MB of memory in use. ENERGY: 2971800 3990.0574 20528.0688 14479.3453 232.9015 -203517.9055 2575.0733 0.0000 0.0000 52066.7780 -109645.6813 299.2285 -161712.4593 -109278.7723 298.9034 -54.1856 -32.9513 761530.8331 -21.5721 -21.4344 PRESSURE: 2972000 -208.105 -135.891 118.356 -135.89 -34.3335 95.3566 118.356 95.3581 1.01008 GPRESSURE: 2972000 -187.355 -21.9185 45.1418 -265.706 48.4899 88.8814 110.427 47.8939 -25.9797 PRESSAVG: 2972000 -15.1106 10.4672 4.03918 10.4672 11.5966 24.0049 4.03921 24.005 34.0228 GPRESSAVG: 2972000 -13.8847 10.4837 3.93111 9.20306 10.0554 25.0538 3.98286 25.799 34.3427 TIMING: 2972000 CPU: 9459.84, 0.00311785/step Wall: 9459.84, 0.00311785/step, 1.75639 hours remaining, 235.496094 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: 2972000 4029.6252 20555.1838 14486.0321 260.9810 -203278.3082 2244.7698 0.0000 0.0000 52188.2571 -109513.4592 299.9266 -161701.7163 -109151.3172 299.3579 -80.4761 -54.9483 759837.1303 10.1696 10.1711 PRESSURE: 2972200 55.0462 17.9098 -83.8756 17.9105 234.253 -168.297 -83.8752 -168.297 220.648 GPRESSURE: 2972200 85.7473 97.4028 -157.941 104.12 253.145 -118.512 70.1579 -120.216 252.473 PRESSAVG: 2972200 -69.4726 -35.4452 -17.8836 -35.4452 97.5755 -21.5115 -17.8835 -21.5115 16.5931 GPRESSAVG: 2972200 -69.5452 -34.7475 -16.7637 -33.2017 97.8338 -21.1107 -16.9489 -23.5054 16.4281 TIMING: 2972200 CPU: 9460.47, 0.00312997/step Wall: 9460.47, 0.00312997/step, 1.76304 hours remaining, 235.496094 MB of memory in use. ENERGY: 2972200 4087.5284 20550.3070 14440.2393 228.5420 -203336.5078 2345.3687 0.0000 0.0000 52172.9930 -109511.5292 299.8389 -161684.5223 -109141.6003 299.6499 169.9825 197.1216 759748.1975 14.8987 14.9055 LDB: ============= START OF LOAD BALANCING ============== 9472.89 LDB: ============== END OF LOAD BALANCING =============== 9472.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9472.89 LDB: ============= START OF LOAD BALANCING ============== 9473.2 LDB: Largest compute 7075 load 0.034978 is 17.9% of average load 0.195495 LDB: Average compute 0.004409 is 2.3% of average load 0.195495 LDB: TIME 9473.21 LOAD: AVG 0.195495 MAX 0.221381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.715 MB LDB: TIME 9473.21 LOAD: AVG 0.195495 MAX 0.221381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: TIME 9473.21 LOAD: AVG 0.195495 MAX 0.218113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: ============== END OF LOAD BALANCING =============== 9473.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9473.21 PRESSURE: 2972400 -79.4857 150.556 113.641 150.556 -171.777 24.8453 113.641 24.8452 -32.0867 GPRESSURE: 2972400 -114.811 176.717 206.845 60.6414 -67.6129 84.8409 134.532 -7.66899 -34.2115 PRESSAVG: 2972400 -9.20007 -44.2173 -35.1225 -44.2173 -10.887 -7.48914 -35.1225 -7.48909 -3.70782 GPRESSAVG: 2972400 -9.28785 -43.756 -34.9276 -45.7433 -10.8433 -9.51908 -34.6871 -8.59412 -4.00518 TIMING: 2972400 CPU: 9461.11, 0.00320659/step Wall: 9461.11, 0.00320659/step, 1.80602 hours remaining, 233.429688 MB of memory in use. ENERGY: 2972400 4035.2693 20494.3379 14417.6771 244.0600 -203274.4550 2346.9817 0.0000 0.0000 52301.0204 -109435.1086 300.5747 -161736.1289 -109070.5216 299.1531 -94.4499 -72.2117 761181.9671 -7.9316 -8.0455 PRESSURE: 2972600 -189.344 -209.866 167.874 -209.865 -283.291 -72.9781 167.875 -72.978 14.6145 GPRESSURE: 2972600 -116.177 -350.493 165.448 -107.606 -326.755 -133.978 124.058 107.916 42.7292 PRESSAVG: 2972600 1.7847 -32.5458 12.2385 -32.5458 -27.6231 -54.0765 12.2385 -54.0766 6.27335 GPRESSAVG: 2972600 0.743459 -32.8092 11.6951 -31.6188 -27.832 -52.694 11.3638 -54.5078 6.81758 TIMING: 2972600 CPU: 9461.73, 0.00312639/step Wall: 9461.73, 0.00312639/step, 1.76068 hours remaining, 233.562500 MB of memory in use. ENERGY: 2972600 3993.5107 20504.1238 14487.7569 248.4270 -202895.4155 2279.6076 0.0000 0.0000 51808.0251 -109573.9643 297.7414 -161381.9895 -109220.5583 299.3264 -152.6734 -133.4009 762285.2510 -6.5217 -6.7570 PRESSURE: 2972800 316.327 -111.665 -40.2906 -111.665 -64.7273 270.524 -40.2905 270.523 -606.44 GPRESSURE: 2972800 239.888 -0.940663 -34.3233 -197.084 -30.819 305.458 -4.75609 202.516 -466.954 PRESSAVG: 2972800 78.8021 -59.5224 28.2605 -59.5224 -33.6296 -24.1296 28.2605 -24.1296 -20.8515 GPRESSAVG: 2972800 77.9431 -59.214 27.2044 -59.2049 -33.6768 -24.95 29.5504 -22.2687 -20.2409 TIMING: 2972800 CPU: 9462.35, 0.0031009/step Wall: 9462.35, 0.0031009/step, 1.74615 hours remaining, 233.562500 MB of memory in use. ENERGY: 2972800 4006.7449 20439.6105 14411.6050 240.2718 -202746.0727 2094.4878 0.0000 0.0000 52013.5706 -109539.7821 298.9227 -161553.3528 -109169.9677 298.9080 -118.2801 -85.9616 762627.4461 8.1070 8.0085 PRESSURE: 2973000 45.939 23.2495 192.176 23.2494 -123.063 112.928 192.176 112.929 -412.874 GPRESSURE: 2973000 165.841 13.5156 165.919 -21.1409 -168.563 202.526 218.197 160.282 -401.409 PRESSAVG: 2973000 39.897 -2.91318 -29.472 -2.91319 -22.374 -6.50708 -29.472 -6.50711 4.93038 GPRESSAVG: 2973000 41.5058 -2.02869 -29.8149 -3.47963 -22.5164 -4.16452 -29.4015 -7.36952 3.32911 TIMING: 2973000 CPU: 9462.98, 0.00312272/step Wall: 9462.98, 0.00312272/step, 1.75827 hours remaining, 233.906250 MB of memory in use. ENERGY: 2973000 4060.3911 20602.9156 14421.5135 224.7604 -203164.2911 2432.9627 0.0000 0.0000 51914.0267 -109507.7211 298.3506 -161421.7479 -109160.9287 298.5228 -163.3325 -134.7103 762839.5543 7.4844 7.4395 PRESSURE: 2973200 121.229 54.2407 68.4339 54.2406 -134.81 -52.6699 68.4337 -52.6704 -252.561 GPRESSURE: 2973200 115.071 100.989 157.582 58.8029 -60.9983 -78.1952 -12.7852 -149.782 -242.867 PRESSAVG: 2973200 43.062 -13.0443 -29.793 -13.0444 -23.2512 -46.7272 -29.7931 -46.7271 4.98494 GPRESSAVG: 2973200 43.1372 -14.4376 -28.5821 -13.6545 -22.2731 -49.0248 -31.3294 -44.5012 4.47471 TIMING: 2973200 CPU: 9463.6, 0.00310607/step Wall: 9463.6, 0.00310607/step, 1.74871 hours remaining, 233.906250 MB of memory in use. ENERGY: 2973200 4015.8404 20472.7947 14409.1522 254.1413 -203339.3798 2608.1818 0.0000 0.0000 52052.3529 -109526.9165 299.1456 -161579.2694 -109165.9066 299.3203 -88.7142 -62.9314 760755.6752 8.2652 8.4462 PRESSURE: 2973400 41.6271 -65.007 -42.7101 -65.0076 18.6346 226.766 -42.7093 226.765 53.3346 GPRESSURE: 2973400 137.318 -44.3529 -60.2524 -54.8088 45.7841 222.395 -78.2545 160.4 47.4584 PRESSAVG: 2973400 1.91786 -26.2813 -10.7689 -26.2813 33.411 22.2016 -10.769 22.2016 16.8645 GPRESSAVG: 2973400 2.02514 -25.4867 -9.84682 -25.4601 33.8918 22.7184 -9.96493 21.5831 16.3636 TIMING: 2973400 CPU: 9464.23, 0.0031278/step Wall: 9464.23, 0.00312781/step, 1.76078 hours remaining, 233.906250 MB of memory in use. ENERGY: 2973400 4003.7057 20555.1292 14432.1756 263.8879 -203698.4001 2813.0684 0.0000 0.0000 52176.5629 -109453.8704 299.8594 -161630.4333 -109092.2216 299.6186 37.8654 76.8534 760307.2630 17.3978 17.4268 PRESSURE: 2973600 497.787 -40.1937 -119.949 -40.1949 -106.324 -117.433 -119.95 -117.432 493.73 GPRESSURE: 2973600 456.094 -64.5546 -200.476 -37.6148 19.5752 -91.3656 -76.3797 24.1271 502.94 PRESSAVG: 2973600 -13.3288 4.73724 -52.5517 4.73719 42.3642 -29.2278 -52.5518 -29.2278 7.51043 GPRESSAVG: 2973600 -12.7369 4.92556 -54.5251 4.18242 42.4236 -30.0797 -51.9987 -29.0207 7.56573 TIMING: 2973600 CPU: 9464.85, 0.0031151/step Wall: 9464.85, 0.0031151/step, 1.75345 hours remaining, 233.906250 MB of memory in use. ENERGY: 2973600 3960.3092 20676.0289 14447.9171 233.4939 -203408.5012 2734.2720 0.0000 0.0000 52041.5903 -109314.8897 299.0837 -161356.4801 -108955.6075 299.8749 295.0645 326.2033 759372.2606 12.1820 12.4175 PRESSURE: 2973800 -342.875 -59.8718 -49.0638 -59.8717 -216.848 64.634 -49.0626 64.6327 -221.463 GPRESSURE: 2973800 -356.139 -89.741 -27.5985 -46.8629 -240.021 16.355 7.99802 -82.3696 -70.2064 PRESSAVG: 2973800 -5.93573 -39.9387 47.3385 -39.9387 -6.88331 -40.2021 47.3385 -40.2021 -3.52659 GPRESSAVG: 2973800 -6.95039 -41.2293 48.9024 -37.4887 -7.38758 -38.3309 45.7453 -43.1114 -1.54182 TIMING: 2973800 CPU: 9465.47, 0.00312894/step Wall: 9465.47, 0.00312894/step, 1.76107 hours remaining, 233.906250 MB of memory in use. ENERGY: 2973800 3972.0205 20569.4283 14452.4563 253.8251 -203356.5100 2396.5653 0.0000 0.0000 52232.2106 -109480.0038 300.1792 -161712.2144 -109121.1630 299.4390 -260.3953 -222.1221 761458.0343 -5.4485 -5.2933 PRESSURE: 2974000 186.249 -66.3118 40.6262 -66.3122 -11.4788 -5.16543 40.626 -5.16517 -105.164 GPRESSURE: 2974000 195.726 44.3143 -49.7958 -62.4243 75.6279 27.5927 -44.6708 -45.275 -114.365 PRESSAVG: 2974000 -25.7157 -12.1217 38.6154 -12.1216 7.53535 -44.4064 38.6153 -44.4064 8.55804 GPRESSAVG: 2974000 -24.7339 -10.5946 37.661 -15.0887 7.9458 -45.378 39.2234 -43.4727 7.37316 TIMING: 2974000 CPU: 9466.1, 0.0031282/step Wall: 9466.1, 0.0031282/step, 1.76048 hours remaining, 233.906250 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: 2974000 4022.9508 20533.0340 14495.7725 253.0244 -203132.8710 2461.1051 0.0000 0.0000 51881.2371 -109485.7472 298.1622 -161366.9843 -109126.5621 299.3818 23.2019 52.3296 760972.3261 -3.2074 -3.1383 PRESSURE: 2974200 184.58 -40.1207 -54.0512 -40.1198 89.5576 261.236 -54.0508 261.236 119.308 GPRESSURE: 2974200 287.376 -77.2804 -72.5179 -19.7714 49.6612 297.472 -68.4019 131.834 117.794 PRESSAVG: 2974200 -52.5717 -25.9568 33.1294 -25.9568 57.5473 -8.61386 33.1294 -8.61392 10.4556 GPRESSAVG: 2974200 -52.5874 -28.7474 34.5034 -21.7293 57.4334 -7.2292 34.4685 -6.37065 10.2807 TIMING: 2974200 CPU: 9466.73, 0.00314501/step Wall: 9466.73, 0.00314501/step, 1.76977 hours remaining, 233.906250 MB of memory in use. ENERGY: 2974200 4056.4650 20652.2012 14459.4052 261.2054 -203275.9900 2516.1134 0.0000 0.0000 51862.5057 -109468.0940 298.0545 -161330.5997 -109103.7120 299.4055 131.1485 151.6104 760553.8539 5.1437 5.0422 PRESSURE: 2974400 254.603 134.003 -65.1693 134.004 266.807 -229.371 -65.1685 -229.371 289.684 GPRESSURE: 2974400 262.271 -4.85255 13.7892 136.985 271.662 -158.247 -39.1567 -229.719 342.76 PRESSAVG: 2974400 57.9465 -34.7469 51.0656 -34.7469 -21.6144 -22.5773 51.0656 -22.5774 20.8191 GPRESSAVG: 2974400 58.2083 -33.5525 51.2428 -36.2958 -23.8071 -24.7208 52.4933 -23.5041 22.6697 TIMING: 2974400 CPU: 9467.36, 0.00315608/step Wall: 9467.36, 0.00315608/step, 1.77582 hours remaining, 233.906250 MB of memory in use. ENERGY: 2974400 3981.8421 20667.9791 14500.5939 246.0199 -203774.6753 2730.8903 0.0000 0.0000 52275.8125 -109371.5375 300.4298 -161647.3500 -109014.7255 299.1668 270.3649 292.2310 761253.9786 19.0504 19.0236 PRESSURE: 2974600 204.232 98.3701 -16.413 98.3697 64.2563 54.7535 -16.4122 54.7532 -94.3067 GPRESSURE: 2974600 187.686 135.772 -34.8407 79.8347 206.845 101.93 -80.3341 156.105 -125.538 PRESSAVG: 2974600 12.7096 29.9795 10.688 29.9795 5.46673 29.3979 10.688 29.3978 13.9363 GPRESSAVG: 2974600 11.8508 30.8642 8.36197 29.8396 8.32096 29.4673 10.1136 30.1744 12.2292 TIMING: 2974600 CPU: 9467.98, 0.00312039/step Wall: 9467.98, 0.00312039/step, 1.75557 hours remaining, 233.906250 MB of memory in use. ENERGY: 2974600 4012.8027 20636.7465 14526.1477 253.1488 -203143.8063 2455.4630 0.0000 0.0000 51969.1939 -109290.3037 298.6677 -161259.4976 -108933.8841 299.8059 58.0607 89.6646 761957.9843 10.7042 10.8003 PRESSURE: 2974800 -200.234 -61.0165 250.113 -61.0162 402.222 -41.4285 250.114 -41.4293 -220.828 GPRESSURE: 2974800 -123.113 -165.373 220.094 -151.458 449.584 2.00275 236.836 -26.3911 -250.37 PRESSAVG: 2974800 -38.21 41.544 21.8368 41.5441 60.5487 -43.9942 21.8368 -43.9942 17.3088 GPRESSAVG: 2974800 -37.1578 41.8131 22.2093 40.3523 60.0392 -42.0298 23.1588 -46.1164 17.3261 TIMING: 2974800 CPU: 9468.61, 0.00314341/step Wall: 9468.61, 0.00314341/step, 1.76834 hours remaining, 233.906250 MB of memory in use. ENERGY: 2974800 4057.0249 20497.5117 14513.2894 249.2375 -203643.6569 2882.4565 0.0000 0.0000 52035.2770 -109408.8600 299.0475 -161444.1369 -109048.4726 299.8107 -6.2800 25.3669 760992.9844 13.2158 13.4025 PRESSURE: 2975000 528.107 -120.569 1.59099 -120.568 17.3926 141.199 1.58983 141.199 50.5356 GPRESSURE: 2975000 588.664 -118.227 -71.1276 -158.846 51.1272 155.199 -102.783 170.706 56.0759 PRESSAVG: 2975000 -73.5133 -4.94216 4.90269 -4.94221 60.9785 17.9922 4.90272 17.9923 -3.04842 GPRESSAVG: 2975000 -73.7898 -7.02777 5.09632 -3.20799 60.332 16.4046 1.23443 19.6606 -2.13067 TIMING: 2975000 CPU: 9469.24, 0.00312744/step Wall: 9469.24, 0.00312744/step, 1.75919 hours remaining, 233.906250 MB of memory in use. ENERGY: 2975000 4047.1139 20549.1192 14473.4153 255.8676 -203525.1078 2641.6813 0.0000 0.0000 52180.0115 -109377.8991 299.8792 -161557.9106 -109019.4409 299.1903 198.6784 231.9557 760947.9371 -5.1944 -5.1962 PRESSURE: 2975200 -355.05 -46.4848 -55.3347 -46.4843 138.034 82.4089 -55.3355 82.4093 123.003 GPRESSURE: 2975200 -279.861 -108.187 -89.965 96.7724 164.186 61.9758 -29.4186 148.596 94.1548 PRESSAVG: 2975200 -10.0147 -14.2608 20.3357 -14.2609 4.72666 -15.7562 20.3357 -15.7563 5.32862 GPRESSAVG: 2975200 -9.75855 -11.1386 21.5083 -14.1757 5.04058 -13.7323 22.5444 -17.2345 4.33519 TIMING: 2975200 CPU: 9469.86, 0.00312919/step Wall: 9469.86, 0.00312919/step, 1.75999 hours remaining, 233.906250 MB of memory in use. ENERGY: 2975200 4030.8825 20567.3686 14470.4551 252.6108 -203543.7267 2432.6982 0.0000 0.0000 52232.6814 -109557.0302 300.1819 -161789.7116 -109196.3427 299.8458 -31.3376 -7.1734 759591.6182 0.0135 -0.1276 PRESSURE: 2975400 -243.287 -24.4661 -40.4322 -24.4656 -294.222 16.0166 -40.4316 16.0174 396.352 GPRESSURE: 2975400 -247.064 -9.12874 -122.288 -60.4792 -234.501 -8.5694 54.3055 86.4243 426.046 PRESSAVG: 2975400 -5.39805 -26.8596 41.5428 -26.8596 30.5879 18.8168 41.5428 18.8168 -12.7964 GPRESSAVG: 2975400 -5.40075 -27.6516 39.5867 -27.5047 31.4792 18.337 40.3607 19.6318 -13.3164 TIMING: 2975400 CPU: 9470.49, 0.00311216/step Wall: 9470.49, 0.00311216/step, 1.75024 hours remaining, 233.906250 MB of memory in use. ENERGY: 2975400 3991.8216 20294.7562 14566.9044 237.9666 -203699.4377 2622.7201 0.0000 0.0000 52295.0926 -109690.1761 300.5406 -161985.2687 -109329.6135 299.2656 -47.0522 -18.5064 759810.7657 4.1311 4.2540 PRESSURE: 2975600 -246.331 -66.3559 -142.936 -66.3552 119.193 -231.622 -142.935 -231.622 -219.764 GPRESSURE: 2975600 -233.744 -81.2415 -23.5588 -142.774 115.301 -201.152 -12.9421 -212.587 -148.728 PRESSAVG: 2975600 -25.8187 -62.6905 3.872 -62.6905 40.1803 -10.1677 3.87197 -10.1677 -12.2879 GPRESSAVG: 2975600 -25.1135 -61.7311 5.95257 -63.608 39.1942 -10.1696 4.33418 -9.77621 -12.0389 TIMING: 2975600 CPU: 9471.11, 0.00311056/step Wall: 9471.11, 0.00311056/step, 1.74917 hours remaining, 233.906250 MB of memory in use. ENERGY: 2975600 4014.4011 20507.8035 14507.4604 227.0321 -203682.0034 2817.8729 0.0000 0.0000 52048.0277 -109559.4057 299.1207 -161607.4335 -109197.5107 299.1882 -115.6340 -89.0568 761119.4121 0.6912 0.6806 PRESSURE: 2975800 29.9573 -15.205 65.8881 -15.2057 32.5239 -90.754 65.8873 -90.7554 -89.8709 GPRESSURE: 2975800 -22.6462 -146.492 81.9648 36.0195 59.3462 -121.714 39.0993 -96.8126 23.8405 PRESSAVG: 2975800 -50.4364 -80.583 6.51863 -80.5829 55.3293 -24.3466 6.51855 -24.3466 1.70007 GPRESSAVG: 2975800 -51.7684 -81.3836 5.09219 -79.2125 55.7745 -25.6606 6.71009 -24.1199 2.31781 TIMING: 2975800 CPU: 9471.73, 0.00310624/step Wall: 9471.73, 0.00310624/step, 1.74657 hours remaining, 233.906250 MB of memory in use. ENERGY: 2975800 4053.9138 20497.2370 14493.6567 231.9633 -203256.1203 2552.6761 0.0000 0.0000 52026.8301 -109399.8433 298.9989 -161426.6735 -109040.9337 299.4733 -9.1299 20.1802 760959.9824 2.1977 2.1080 PRESSURE: 2976000 -97.7651 -434.983 107.384 -434.984 -8.78502 2.553 107.385 2.55313 558.271 GPRESSURE: 2976000 -72.0079 -464.188 35.9182 -280.235 106.444 -11.0894 48.3825 -18.818 520.133 PRESSAVG: 2976000 14.6304 -74.1642 17.5681 -74.1643 13.401 -9.88093 17.5681 -9.8809 6.27524 GPRESSAVG: 2976000 14.6528 -75.2913 18.7877 -73.0994 13.8439 -8.5341 18.5211 -11.3061 5.70947 TIMING: 2976000 CPU: 9472.35, 0.00310493/step Wall: 9472.35, 0.00310493/step, 1.74566 hours remaining, 233.906250 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: 2976000 3970.3512 20430.5463 14493.4512 254.6501 -203368.3916 2541.5817 0.0000 0.0000 52221.5421 -109456.2690 300.1179 -161677.8111 -109102.0800 299.2248 150.5737 184.8564 760288.9945 11.4355 11.4021 PRESSURE: 2976200 -160.285 51.1291 -6.32295 51.1285 -106.861 34.7811 -6.32221 34.7824 294.797 GPRESSURE: 2976200 -25.0857 108.863 18.3188 -38.6138 -108.975 91.8117 20.8236 19.1264 227.416 PRESSAVG: 2976200 11.4702 -60.3518 17.6287 -60.3518 -57.8608 18.7427 17.6288 18.7427 -10.2876 GPRESSAVG: 2976200 12.4093 -60.1001 16.7327 -63.309 -58.7513 17.1471 17.6205 20.4333 -10.6561 TIMING: 2976200 CPU: 9472.97, 0.00310534/step Wall: 9472.97, 0.00310534/step, 1.74572 hours remaining, 233.906250 MB of memory in use. ENERGY: 2976200 4074.2473 20507.2721 14472.6318 236.4337 -203707.0285 2675.1891 0.0000 0.0000 52252.3199 -109488.9347 300.2948 -161741.2546 -109121.4355 299.4331 9.2171 31.1187 759941.8161 -18.8927 -18.9994 LDB: ============= START OF LOAD BALANCING ============== 9485.39 LDB: ============== END OF LOAD BALANCING =============== 9485.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9485.39 LDB: ============= START OF LOAD BALANCING ============== 9485.7 LDB: Largest compute 7075 load 0.031411 is 16.1% of average load 0.195645 LDB: Average compute 0.004402 is 2.2% of average load 0.195645 LDB: TIME 9485.71 LOAD: AVG 0.195645 MAX 0.21559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.277 MB LDB: TIME 9485.71 LOAD: AVG 0.195645 MAX 0.21559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 9485.71 LOAD: AVG 0.195645 MAX 0.21559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 9485.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9485.71 PRESSURE: 2976400 307.509 -66.813 -15.2527 -66.8129 19.0533 -2.9886 -15.2517 -2.98907 -183.785 GPRESSURE: 2976400 321.318 -2.53504 25.2423 -105.856 28.6081 4.45198 14.9482 -48.8048 -129.514 PRESSAVG: 2976400 6.97412 -17.9721 -40.6676 -17.9722 4.20081 -8.81762 -40.6677 -8.81756 -8.11023 GPRESSAVG: 2976400 6.11509 -18.9052 -40.5722 -15.4187 4.42641 -8.09052 -39.3707 -8.52421 -7.81894 TIMING: 2976400 CPU: 9473.61, 0.00317438/step Wall: 9473.61, 0.00317439/step, 1.78436 hours remaining, 234.335938 MB of memory in use. ENERGY: 2976400 3969.0838 20603.9922 14498.0498 238.8332 -203307.8309 2401.0148 0.0000 0.0000 51753.8006 -109843.0563 297.4298 -161596.8570 -109486.1245 299.0628 47.5924 73.4706 761076.1258 1.0216 0.9075 PRESSURE: 2976600 -14.2553 33.0608 -155.261 33.0613 150.169 -75.3856 -155.261 -75.3867 -72.8553 GPRESSURE: 2976600 -15.6614 -92.5729 -80.6507 14.2574 179.317 -148.354 -35.1017 -68.1595 -3.66076 PRESSAVG: 2976600 19.7363 -16.7887 2.03819 -16.7887 -13.2418 -46.0361 2.03822 -46.036 23.266 GPRESSAVG: 2976600 19.8476 -15.0189 4.32009 -18.0981 -13.8039 -47.6564 0.95744 -46.6687 23.6772 TIMING: 2976600 CPU: 9474.23, 0.00310726/step Wall: 9474.23, 0.00310726/step, 1.74645 hours remaining, 234.335938 MB of memory in use. ENERGY: 2976600 3955.4678 20472.5869 14555.4186 225.8401 -203287.2297 2399.5010 0.0000 0.0000 51871.9483 -109806.4670 298.1088 -161678.4153 -109444.4911 298.7893 21.0193 53.3317 759913.1329 9.9202 9.9070 PRESSURE: 2976800 383.129 -90.3116 199.526 -90.3119 -65.2177 -59.1531 199.525 -59.1517 115.117 GPRESSURE: 2976800 326.999 -38.4447 194.537 -14.531 54.7906 36.3695 146.484 -79.8433 168.039 PRESSAVG: 2976800 47.6682 -6.4926 -0.875703 -6.49261 -57.4895 19.4899 -0.875685 19.4899 -10.2534 GPRESSAVG: 2976800 46.5927 -8.03475 -1.51417 -6.7119 -56.7344 21.1166 -2.38244 19.575 -9.90054 TIMING: 2976800 CPU: 9474.85, 0.00310743/step Wall: 9474.85, 0.00310743/step, 1.74638 hours remaining, 234.335938 MB of memory in use. ENERGY: 2976800 3997.4033 20434.6371 14487.1397 255.7987 -203385.8353 2449.9040 0.0000 0.0000 52085.7849 -109675.1677 299.3377 -161760.9526 -109306.5509 298.8907 144.3427 183.2760 759552.2892 -6.6916 -6.6808 PRESSURE: 2977000 286.895 -191.865 126.359 -191.864 250.528 -14.6247 126.358 -14.6249 51.2781 GPRESSURE: 2977000 366.938 -207.529 182.533 -218.477 212.186 19.016 119.715 -57.9549 73.5932 PRESSAVG: 2977000 2.46977 -58.0321 -35.3043 -58.032 -0.58953 13.6094 -35.3043 13.6094 5.96987 GPRESSAVG: 2977000 4.71917 -58.2615 -37.1685 -57.6495 -1.25435 13.2153 -34.0859 12.0217 4.83413 TIMING: 2977000 CPU: 9475.47, 0.00312208/step Wall: 9475.47, 0.00312208/step, 1.75443 hours remaining, 234.335938 MB of memory in use. ENERGY: 2977000 3998.0612 20465.7457 14492.2486 244.0904 -203469.0438 2702.9567 0.0000 0.0000 51807.0412 -109758.9000 297.7358 -161565.9412 -109400.2825 298.7218 196.2336 217.5724 759766.1202 2.6167 2.7663 PRESSURE: 2977200 18.5971 -149.743 -65.5655 -149.743 -149.689 -66.96 -65.5655 -66.9614 149.815 GPRESSURE: 2977200 -19.3178 -104.676 -20.9803 -190.831 27.5581 -30.1142 -18.2056 26.6111 86.816 PRESSAVG: 2977200 75.6272 -19.2958 21.6261 -19.2958 5.0862 -23.8419 21.6261 -23.842 -30.7784 GPRESSAVG: 2977200 74.4511 -18.0733 22.5403 -19.37 4.44808 -24.0184 21.436 -22.0381 -30.0086 TIMING: 2977200 CPU: 9476.1, 0.00312195/step Wall: 9476.1, 0.00312195/step, 1.75419 hours remaining, 234.335938 MB of memory in use. ENERGY: 2977200 4020.5575 20595.1571 14476.4461 241.0864 -203458.4760 2433.2495 0.0000 0.0000 51715.9478 -109976.0317 297.2123 -161691.9795 -109630.4354 298.4042 6.2410 31.6854 760040.4860 16.6450 16.2968 PRESSURE: 2977400 -48.9686 -49.5222 163.008 -49.5227 -233.944 98.4403 163.008 98.44 -216.682 GPRESSURE: 2977400 -72.553 -21.7815 132.265 -103.012 -155.285 -20.0207 93.0022 135.237 -201.486 PRESSAVG: 2977400 -36.0281 -21.2817 37.6451 -21.2817 -63.3968 20.243 37.6451 20.243 -36.9702 GPRESSAVG: 2977400 -35.7942 -22.0388 37.8041 -20.852 -63.6908 21.3068 39.3505 19.6557 -36.9582 TIMING: 2977400 CPU: 9476.72, 0.00313067/step Wall: 9476.72, 0.00313067/step, 1.75892 hours remaining, 234.335938 MB of memory in use. ENERGY: 2977400 3930.8488 20635.3615 14480.2762 243.0720 -203343.8804 2521.5635 0.0000 0.0000 51627.3267 -109905.4317 296.7030 -161532.7584 -109546.4072 297.8463 -166.5314 -143.1081 761217.1604 -45.4650 -45.4810 PRESSURE: 2977600 -20.4212 4.74155 138.113 4.74202 -246.256 -293.333 138.113 -293.331 54.71 GPRESSURE: 2977600 -107.232 -105.771 84.0089 9.52587 -102.069 -310.076 102.911 -115.407 51.5844 PRESSAVG: 2977600 -0.534137 -65.3099 36.3241 -65.3098 28.2165 -27.1429 36.3241 -27.1429 12.5377 GPRESSAVG: 2977600 -0.916162 -64.8749 34.6402 -66.2479 29.2051 -26.3277 38.0113 -26.646 11.8546 TIMING: 2977600 CPU: 9477.35, 0.00313776/step Wall: 9477.35, 0.00313776/step, 1.76272 hours remaining, 234.335938 MB of memory in use. ENERGY: 2977600 3959.4713 20611.9923 14467.3938 254.6677 -203413.3927 2413.6672 0.0000 0.0000 51924.6360 -109781.5643 298.4116 -161706.2003 -109421.1830 298.2197 -70.6556 -52.5720 759909.7778 13.4067 13.3812 PRESSURE: 2977800 84.1991 -88.4366 42.1512 -88.4365 -379.932 -33.4611 42.1514 -33.4607 -222.146 GPRESSURE: 2977800 124.868 -131.944 87.0783 -197.559 -333.749 9.30206 70.4327 -112.324 -217.65 PRESSAVG: 2977800 13.0958 -74.6943 33.1993 -74.6943 -25.1335 -62.0603 33.1993 -62.0603 -0.146861 GPRESSAVG: 2977800 12.2721 -75.5713 35.3246 -72.961 -25.2365 -63.3176 31.0739 -63.0644 0.97066 TIMING: 2977800 CPU: 9477.98, 0.0031277/step Wall: 9477.98, 0.0031277/step, 1.7569 hours remaining, 234.335938 MB of memory in use. ENERGY: 2977800 4058.3884 20601.5681 14496.9186 257.6081 -203608.4037 2741.4906 0.0000 0.0000 51875.8476 -109576.5822 298.1312 -161452.4299 -109215.8648 298.9716 -172.6261 -142.1770 760623.9445 -4.0615 -3.9979 PRESSURE: 2978000 237.249 -211.074 -125.266 -211.075 -113.717 64.1485 -125.264 64.1478 336.589 GPRESSURE: 2978000 309.277 -137.953 -113.144 -201.181 -113.53 14.7504 -163.841 159.863 360.596 PRESSAVG: 2978000 63.2889 -48.8697 -90.5379 -48.8697 -35.7577 24.7087 -90.5379 24.7086 3.11301 GPRESSAVG: 2978000 65.149 -49.1862 -92.0305 -50.8334 -34.8154 25.6179 -90.7085 23.8077 0.867219 TIMING: 2978000 CPU: 9478.6, 0.00313447/step Wall: 9478.6, 0.00313447/step, 1.76053 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2978000 3954.6577 20454.9841 14439.0283 252.5489 -203597.9976 2778.3819 0.0000 0.0000 52026.1196 -109692.2771 298.9948 -161718.3967 -109326.7157 299.0451 153.3735 185.4478 762259.8935 10.2147 10.4003 PRESSURE: 2978200 -244.603 -122.949 130.249 -122.95 -232.516 205.171 130.248 205.171 295.473 GPRESSURE: 2978200 -189.495 -196.255 0.0735532 -159.834 -146.484 152.759 203.162 157.854 240.434 PRESSAVG: 2978200 -19.3177 -81.1525 -23.6435 -81.1525 -23.7553 39.9333 -23.6435 39.9333 7.9323 GPRESSAVG: 2978200 -21.9576 -80.5963 -23.584 -80.436 -23.1873 39.4417 -19.8311 40.0404 9.5348 TIMING: 2978200 CPU: 9479.23, 0.00311643/step Wall: 9479.23, 0.00311643/step, 1.75022 hours remaining, 234.335938 MB of memory in use. ENERGY: 2978200 4028.8855 20377.1912 14500.6037 255.7080 -203764.4458 2805.8132 0.0000 0.0000 52234.8388 -109561.4052 300.1943 -161796.2441 -109192.8032 299.1133 -60.5484 -31.8481 761790.8103 -11.7136 -11.8700 PRESSURE: 2978400 309.866 46.0315 -227.63 46.0311 28.3726 -447.03 -227.63 -447.031 -347.293 GPRESSURE: 2978400 300.008 26.9171 -194.726 75.9984 74.6663 -501.256 -229.351 -262.743 -316.804 PRESSAVG: 2978400 48.217 -39.3518 7.6282 -39.3519 -55.8475 -19.2041 7.62826 -19.204 14.6216 GPRESSAVG: 2978400 48.9592 -39.3632 8.66378 -38.9387 -57.1745 -18.7784 5.15911 -17.2536 15.1118 TIMING: 2978400 CPU: 9479.85, 0.00311886/step Wall: 9479.85, 0.00311886/step, 1.75141 hours remaining, 234.335938 MB of memory in use. ENERGY: 2978400 3994.7904 20579.8628 14476.0553 246.1914 -203508.4762 2649.9870 0.0000 0.0000 52165.2898 -109396.2996 299.7946 -161561.5894 -109034.0657 299.4299 -3.0180 19.2903 762153.6978 2.3303 2.2988 PRESSURE: 2978600 -51.1618 -23.7192 24.613 -23.7195 -157.987 182.961 24.6133 182.961 104.013 GPRESSURE: 2978600 -83.039 47.7801 47.3518 55.1073 -167.402 219.648 100.398 217.272 240.357 PRESSAVG: 2978600 36.5254 -24.1226 0.149121 -24.1226 -7.42723 -6.81282 0.149165 -6.81295 0.136965 GPRESSAVG: 2978600 37.3729 -24.7471 -0.68666 -24.7864 -6.31081 -7.66918 0.641488 -7.23095 -1.06553 TIMING: 2978600 CPU: 9480.48, 0.00313107/step Wall: 9480.48, 0.00313107/step, 1.7581 hours remaining, 234.335938 MB of memory in use. ENERGY: 2978600 4035.2890 20619.7827 14507.9234 254.5677 -203691.1650 2531.7014 0.0000 0.0000 52309.8520 -109432.0489 300.6254 -161741.9008 -109066.7731 299.7930 -35.0454 -3.3614 760600.5170 9.7450 9.9989 PRESSURE: 2978800 21.6365 -62.7888 -176.892 -62.7896 -261.781 88.6293 -176.892 88.6285 197.025 GPRESSURE: 2978800 49.6931 -44.129 -184.877 -88.203 -208.225 108.083 -141.944 29.9513 206.758 PRESSAVG: 2978800 6.87166 -60.3121 -70.5576 -60.3122 -0.747819 -13.9478 -70.5575 -13.9478 -0.641793 GPRESSAVG: 2978800 5.5398 -58.8351 -71.3036 -57.4431 -0.176947 -12.7664 -70.7894 -14.1927 0.282711 TIMING: 2978800 CPU: 9481.1, 0.00311995/step Wall: 9481.1, 0.00311995/step, 1.75168 hours remaining, 234.335938 MB of memory in use. ENERGY: 2978800 3995.2525 20729.9357 14465.4467 241.3159 -203602.8380 2481.0937 0.0000 0.0000 52174.4118 -109515.3816 299.8471 -161689.7934 -109149.2149 299.5605 -14.3732 16.0755 760014.6205 1.8273 1.8819 PRESSURE: 2979000 177.943 89.0086 67.7552 89.0089 -17.5448 -310.319 67.7543 -310.32 -230.045 GPRESSURE: 2979000 252.939 55.0923 89.0197 12.159 -60.7636 -246.045 149.816 -265.995 -156.677 PRESSAVG: 2979000 11.4387 -6.52547 -14.094 -6.52549 -31.2066 42.6117 -14.094 42.6116 -8.36481 GPRESSAVG: 2979000 12.646 -7.60783 -13.9252 -8.8631 -31.9085 41.0673 -12.905 44.2084 -8.66134 TIMING: 2979000 CPU: 9481.72, 0.00310729/step Wall: 9481.72, 0.00310729/step, 1.7444 hours remaining, 234.335938 MB of memory in use. ENERGY: 2979000 4016.1528 20478.4657 14565.3825 238.9817 -203641.0221 2856.5977 0.0000 0.0000 51893.7977 -109591.6441 298.2344 -161485.4417 -109217.1828 299.3695 -23.2157 11.8325 760651.1950 -9.3776 -9.3079 PRESSURE: 2979200 175.131 151.385 -137.913 151.385 97.6944 181.973 -137.912 181.973 607.784 GPRESSURE: 2979200 274.714 138.513 -71.257 6.68927 143.069 188.274 -168.434 144.581 562.757 PRESSAVG: 2979200 64.9007 5.58714 8.40313 5.58715 -39.8008 10.1143 8.40303 10.1143 -10.6987 GPRESSAVG: 2979200 64.8327 5.29214 9.995 6.33957 -39.9479 12.1885 6.05533 8.08053 -11.0191 TIMING: 2979200 CPU: 9482.35, 0.0031106/step Wall: 9482.35, 0.0031106/step, 1.74609 hours remaining, 234.335938 MB of memory in use. ENERGY: 2979200 3937.9574 20555.0804 14433.4985 251.8370 -203574.8535 2678.0115 0.0000 0.0000 52136.0662 -109582.4026 299.6267 -161718.4688 -109222.4147 299.6605 293.5365 326.8467 759248.8128 4.8004 4.6219 PRESSURE: 2979400 100.587 8.3774 58.0701 8.3778 413.367 -131.986 58.0701 -131.986 237.287 GPRESSURE: 2979400 241.35 31.8887 82.5613 25.9751 332.361 -85.9764 83.8551 -189.507 256.891 PRESSAVG: 2979400 3.76406 -73.5594 14.6854 -73.5593 -21.6814 21.7436 14.6854 21.7436 23.2193 GPRESSAVG: 2979400 3.60764 -73.8606 12.473 -74.6859 -21.6004 21.2204 16.0788 23.7068 23.4272 TIMING: 2979400 CPU: 9482.97, 0.00311589/step Wall: 9482.97, 0.00311589/step, 1.74888 hours remaining, 234.335938 MB of memory in use. ENERGY: 2979400 3980.6129 20434.1383 14472.9083 229.3307 -203711.1065 2730.6050 0.0000 0.0000 52094.3443 -109769.1670 299.3869 -161863.5113 -109419.0506 298.7912 250.4137 276.8670 759482.7951 1.7673 1.8115 PRESSURE: 2979600 -199.485 -28.1001 64.5565 -28.0992 -274.015 -130.872 64.5563 -130.873 -44.8329 GPRESSURE: 2979600 -172.997 -105.379 64.9884 19.4012 -250.976 -116.312 23.9074 -118.883 9.8641 PRESSAVG: 2979600 50.1961 -34.123 5.09357 -34.123 -26.8474 16.0975 5.09357 16.0974 10.8733 GPRESSAVG: 2979600 51.8171 -31.7953 6.34889 -32.3269 -27.5008 15.8169 6.56163 13.0792 10.5695 TIMING: 2979600 CPU: 9483.59, 0.00312654/step Wall: 9483.59, 0.00312654/step, 1.75468 hours remaining, 234.335938 MB of memory in use. ENERGY: 2979600 3917.4875 20478.5828 14381.7900 240.3605 -202938.6117 2286.7321 0.0000 0.0000 51847.6926 -109785.9661 297.9694 -161633.6587 -109419.1143 298.4637 -172.7774 -138.0364 760942.7539 11.4074 11.6286 PRESSURE: 2979800 -538.755 -102.456 134.223 -102.457 -582.732 292.486 134.223 292.486 -16.6964 GPRESSURE: 2979800 -461.399 -63.2356 137.101 -45.4257 -537.949 281.597 161.726 216.933 -64.8566 PRESSAVG: 2979800 -40.9787 -65.0583 -15.2605 -65.0583 -12.4107 40.6183 -15.2604 40.6183 -11.8769 GPRESSAVG: 2979800 -42.3063 -66.1394 -15.2694 -65.4756 -11.0052 40.4652 -17.5348 42.8707 -12.6956 TIMING: 2979800 CPU: 9484.21, 0.00310204/step Wall: 9484.21, 0.00310204/step, 1.74076 hours remaining, 234.335938 MB of memory in use. ENERGY: 2979800 3926.0460 20578.0467 14487.7205 233.3022 -203430.2666 2570.4611 0.0000 0.0000 51952.9686 -109681.7214 298.5744 -161634.6900 -109316.3008 298.7853 -379.3946 -354.7349 763060.8338 -21.7554 -22.0024 PRESSURE: 2980000 344.215 -18.5715 -67.0965 -18.5705 -55.7734 21.4699 -67.0962 21.4691 238.954 GPRESSURE: 2980000 285.984 38.2531 -19.8443 72.2426 -1.23679 78.3508 -155.122 29.8341 345.513 PRESSAVG: 2980000 -17.1705 -46.7519 14.7746 -46.7518 17.1458 63.3394 14.7746 63.3392 -4.29312 GPRESSAVG: 2980000 -16.9949 -48.6694 17.2364 -46.6288 16.8511 64.2073 15.9843 62.6363 -4.08213 TIMING: 2980000 CPU: 9484.84, 0.00310473/step Wall: 9484.84, 0.00310473/step, 1.7421 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2980000 3907.4227 20508.9312 14481.7793 251.4465 -203415.2132 2672.9092 0.0000 0.0000 51889.9305 -109702.7938 298.2121 -161592.7243 -109341.6619 298.8751 175.7985 210.0868 760927.5566 -1.4393 -1.4087 PRESSURE: 2980200 42.9174 5.85944 -87.7367 5.85833 -186.935 87.0299 -87.7373 87.031 -318.001 GPRESSURE: 2980200 91.5482 18.8401 16.6797 43.2242 -137.502 66.7323 -116.768 58.9894 -343.483 PRESSAVG: 2980200 73.8915 -19.9612 -34.8431 -19.9613 -58.5647 76.4522 -34.8431 76.4522 6.5647 GPRESSAVG: 2980200 73.8838 -18.2542 -35.7268 -18.2098 -58.6639 73.3747 -35.8013 78.2862 6.15097 TIMING: 2980200 CPU: 9485.46, 0.0031215/step Wall: 9485.46, 0.0031215/step, 1.75133 hours remaining, 234.335938 MB of memory in use. ENERGY: 2980200 3977.5599 20579.6503 14436.5374 253.7760 -203458.2095 2547.5255 0.0000 0.0000 51833.5081 -109829.6524 297.8879 -161663.1605 -109467.4238 298.6514 -154.0060 -129.8123 761500.0387 7.2972 7.1236 LDB: ============= START OF LOAD BALANCING ============== 9497.88 LDB: ============== END OF LOAD BALANCING =============== 9497.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9497.88 LDB: ============= START OF LOAD BALANCING ============== 9498.19 LDB: Largest compute 7075 load 0.034185 is 17.5% of average load 0.195574 LDB: Average compute 0.004383 is 2.2% of average load 0.195574 LDB: TIME 9498.2 LOAD: AVG 0.195574 MAX 0.215971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 9498.2 LOAD: AVG 0.195574 MAX 0.215971 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: TIME 9498.2 LOAD: AVG 0.195574 MAX 0.215971 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: ============== END OF LOAD BALANCING =============== 9498.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9498.2 PRESSURE: 2980400 193.802 295.193 -28.3049 295.192 187.203 -61.5256 -28.3047 -61.5241 -75.8369 GPRESSURE: 2980400 242.873 221.607 -65.2995 280.256 188.086 -138.839 59.0653 81.2652 -47.7166 PRESSAVG: 2980400 37.0324 -29.5591 2.12251 -29.5591 -5.94135 26.4379 2.12248 26.4379 -4.33954 GPRESSAVG: 2980400 36.4726 -29.5438 1.36038 -32.4394 -6.58278 29.5981 2.12163 25.3406 -3.37118 TIMING: 2980400 CPU: 9486.1, 0.00319011/step Wall: 9486.1, 0.00319011/step, 1.78965 hours remaining, 234.582031 MB of memory in use. ENERGY: 2980400 3955.2000 20408.8981 14447.0694 252.7790 -203599.9405 2907.1233 0.0000 0.0000 51782.0386 -109846.8320 297.5921 -161628.8706 -109489.4614 298.5077 101.7229 127.7473 762689.8121 8.9172 8.8396 PRESSURE: 2980600 82.8967 -215.753 278.606 -215.754 -134.823 -32.0023 278.607 -32.0022 -230.386 GPRESSURE: 2980600 90.2977 -202.099 352.32 -156.599 -81.1806 -24.6413 145.675 -93.4986 -207.001 PRESSAVG: 2980600 48.6696 14.6616 20.8891 14.6616 -28.8185 -23.5356 20.8891 -23.5357 -14.7418 GPRESSAVG: 2980600 49.1351 12.3674 20.986 14.1499 -28.9486 -24.6547 21.6557 -23.3072 -14.4795 TIMING: 2980600 CPU: 9486.72, 0.00312564/step Wall: 9486.72, 0.00312564/step, 1.75331 hours remaining, 234.582031 MB of memory in use. ENERGY: 2980600 4030.0647 20348.4091 14451.2653 238.9900 -203528.1821 2652.2413 0.0000 0.0000 51955.3458 -109851.8660 298.5881 -161807.2118 -109488.9964 298.5323 -94.1043 -65.9612 762692.4022 1.7031 1.9024 PRESSURE: 2980800 161.03 33.1989 -149.289 33.1985 51.9782 -66.438 -149.29 -66.4386 153.775 GPRESSURE: 2980800 81.1827 18.7124 -103.207 -51.1121 204.226 -0.950878 -68.1509 -4.75432 159.41 PRESSAVG: 2980800 86.7797 -25.1378 -5.24638 -25.1379 -101.229 -40.8813 -5.24638 -40.8814 -1.4346 GPRESSAVG: 2980800 84.4971 -22.6185 -6.65674 -24.3853 -99.1972 -40.8776 -5.25201 -40.5773 -1.30383 TIMING: 2980800 CPU: 9487.35, 0.00313441/step Wall: 9487.35, 0.00313441/step, 1.75806 hours remaining, 234.636719 MB of memory in use. ENERGY: 2980800 3886.6489 20402.8064 14410.9520 261.4943 -203574.9985 2782.1329 0.0000 0.0000 51974.8582 -109856.1058 298.7002 -161830.9640 -109497.1655 298.4480 122.2610 148.2727 762262.9266 -5.2946 -5.3347 PRESSURE: 2981000 -195.673 -101.852 20.0676 -101.853 -0.888856 87.9266 20.0679 87.9272 27.8068 GPRESSURE: 2981000 -202.555 -109.151 30.9416 -161.939 80.4923 19.5922 8.914 51.3845 45.7657 PRESSAVG: 2981000 21.7713 -75.3273 38.6141 -75.3273 -36.124 -21.3459 38.6141 -21.3459 6.92538 GPRESSAVG: 2981000 23.4363 -75.9501 39.8701 -75.4224 -36.7437 -22.5535 39.9116 -18.64 6.12889 TIMING: 2981000 CPU: 9487.97, 0.00312512/step Wall: 9487.97, 0.00312512/step, 1.75267 hours remaining, 234.707031 MB of memory in use. ENERGY: 2981000 3905.5538 20439.7072 14477.7323 245.1871 -204035.6454 2946.2582 0.0000 0.0000 52210.2536 -109810.9532 300.0530 -162021.2068 -109447.5510 298.3356 -56.2516 -25.4323 761787.6402 -2.4758 -2.3928 PRESSURE: 2981200 -444.009 104.037 -239.678 104.037 -133.327 36.2081 -239.678 36.2063 -638.673 GPRESSURE: 2981200 -456.113 127.806 -313.518 75.9429 -92.5465 12.0134 -287.36 -7.57725 -592.69 PRESSAVG: 2981200 33.4578 1.95304 -29.8693 1.95311 -0.721646 -8.93579 -29.8693 -8.9358 5.46899 GPRESSAVG: 2981200 33.993 0.34298 -29.201 3.51014 -1.57696 -6.93983 -30.6721 -14.2158 6.20759 TIMING: 2981200 CPU: 9488.6, 0.00311226/step Wall: 9488.6, 0.00311226/step, 1.74529 hours remaining, 234.707031 MB of memory in use. ENERGY: 2981200 3929.6164 20426.1065 14544.9053 228.1563 -202993.4325 2215.0355 0.0000 0.0000 51769.9228 -109879.6896 297.5225 -161649.6125 -109516.4682 298.4972 -405.3365 -380.4499 762684.7405 12.7350 12.8745 PRESSURE: 2981400 -106.023 66.8158 102.071 66.8159 183.968 126.558 102.072 126.559 485.236 GPRESSURE: 2981400 -131.514 56.6545 69.9019 86.2131 225.962 112.36 124.646 37.1123 551.591 PRESSAVG: 2981400 9.86721 -30.2997 39.3843 -30.2997 -5.59266 -40.789 39.3844 -40.789 3.28058 GPRESSAVG: 2981400 9.38636 -29.2757 38.3051 -32.3862 -5.5084 -41.6961 39.1111 -39.3309 3.67355 TIMING: 2981400 CPU: 9489.22, 0.00311373/step Wall: 9489.22, 0.00311374/step, 1.74594 hours remaining, 234.789062 MB of memory in use. ENERGY: 2981400 3877.2173 20407.9459 14513.3741 258.0107 -203541.8332 2745.4068 0.0000 0.0000 51941.8539 -109798.0246 298.5105 -161739.8785 -109431.6705 298.3800 187.7272 215.3465 760341.5045 2.5184 2.5172 PRESSURE: 2981600 326.613 -5.15393 146.949 -5.1545 391.354 -35.4879 146.949 -35.4893 279.969 GPRESSURE: 2981600 334.512 61.9678 204.625 -40.9032 479.054 -83.0428 16.2029 85.1048 262.024 PRESSAVG: 2981600 -35.2157 -27.6243 23.6326 -27.6243 24.0221 -18.5888 23.6327 -18.5887 -10.978 GPRESSAVG: 2981600 -35.0517 -29.2799 24.8891 -26.4095 25.1076 -18.0716 20.1345 -16.9926 -12.1416 TIMING: 2981600 CPU: 9489.85, 0.00312946/step Wall: 9489.85, 0.00312946/step, 1.75458 hours remaining, 234.789062 MB of memory in use. ENERGY: 2981600 3987.7046 20533.9490 14442.2439 255.3329 -203666.6469 2496.5651 0.0000 0.0000 52012.7150 -109938.1366 298.9178 -161950.8515 -109584.3685 298.7957 332.6453 358.5301 758307.0396 -7.3905 -7.3619 PRESSURE: 2981800 405.023 33.8987 6.38539 33.8982 126.7 32.3702 6.38518 32.3691 -0.513139 GPRESSURE: 2981800 330.104 72.7542 79.4218 2.982 190.069 31.883 -22.0331 -59.6693 85.5967 PRESSAVG: 2981800 -25.9045 -10.9809 -46.9051 -10.9808 -4.91913 -18.599 -46.9051 -18.599 7.25636 GPRESSAVG: 2981800 -25.8291 -7.87639 -48.0498 -12.2565 -5.93898 -17.9862 -43.5596 -21.1333 8.01971 TIMING: 2981800 CPU: 9490.47, 0.00311519/step Wall: 9490.47, 0.00311519/step, 1.74641 hours remaining, 234.789062 MB of memory in use. ENERGY: 2981800 3975.4562 20464.8560 14445.6201 255.8979 -203552.7273 2440.1646 0.0000 0.0000 52086.9005 -109883.8319 299.3441 -161970.7324 -109526.5939 298.6523 177.0698 201.9231 759348.8838 -7.8558 -7.9161 PRESSURE: 2982000 268.836 -12.7769 -56.8097 -12.7772 -216.475 -124.545 -56.8106 -124.546 87.2493 GPRESSURE: 2982000 227.419 -40.8291 -10.866 30.8145 -126.87 1.08966 -12.2863 -49.561 125.228 PRESSAVG: 2982000 44.9391 -46.4991 -50.2344 -46.499 -34.7882 12.3157 -50.2344 12.3158 3.26332 GPRESSAVG: 2982000 44.7478 -48.6054 -48.4328 -43.957 -35.3609 12.1568 -53.7627 11.2766 4.0812 TIMING: 2982000 CPU: 9491.09, 0.00311098/step Wall: 9491.09, 0.00311098/step, 1.74388 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2982000 4017.9096 20558.0445 14404.6875 234.1391 -203825.5476 2762.8958 0.0000 0.0000 51837.7707 -110010.1004 297.9124 -161847.8711 -109664.7430 298.0363 46.5370 75.2588 759218.0694 4.4714 4.4893 PRESSURE: 2982200 -103.237 -224.597 97.6399 -224.596 -88.1495 6.31745 97.6398 6.31719 135.066 GPRESSURE: 2982200 -96.3956 -191.529 48.9423 -261.717 -58.2177 19.4457 -8.84798 -45.8126 211.155 PRESSAVG: 2982200 58.2143 -35.2459 -59.2048 -35.246 -9.13818 -27.3523 -59.2048 -27.3523 10.0542 GPRESSAVG: 2982200 56.9529 -32.8321 -60.7166 -37.7879 -7.24858 -27.9711 -54.9448 -26.4517 10.2849 TIMING: 2982200 CPU: 9491.72, 0.00312322/step Wall: 9491.72, 0.00312322/step, 1.75056 hours remaining, 234.789062 MB of memory in use. ENERGY: 2982200 3960.7012 20578.9896 14462.8535 251.7344 -203524.1277 2549.8250 0.0000 0.0000 51806.5256 -109913.4984 297.7328 -161720.0240 -109545.3772 298.6759 -18.7734 18.8471 759927.8370 19.7101 19.9964 PRESSURE: 2982400 26.008 30.5482 -28.0837 30.5473 3.42828 -35.3435 -28.0841 -35.3434 227.345 GPRESSURE: 2982400 57.9882 0.442686 1.20713 41.164 105.038 -70.1692 -30.0349 18.3446 176.97 PRESSAVG: 2982400 27.5178 -46.2091 -73.1214 -46.2091 -34.6142 8.54952 -73.1214 8.54951 -12.8775 GPRESSAVG: 2982400 27.546 -47.7109 -72.5697 -42.6643 -35.0014 8.34834 -75.0977 12.1712 -11.8044 TIMING: 2982400 CPU: 9492.34, 0.00311534/step Wall: 9492.34, 0.00311534/step, 1.74598 hours remaining, 234.789062 MB of memory in use. ENERGY: 2982400 4004.0641 20462.9411 14398.5246 229.5920 -204072.1617 2987.5489 0.0000 0.0000 51958.0249 -110031.4661 298.6035 -161989.4911 -109676.3095 298.0413 85.5937 113.3322 760212.8692 -6.6579 -6.4199 PRESSURE: 2982600 -105.804 44.067 74.254 44.0673 -201.362 89.5148 74.2533 89.5151 -262.6 GPRESSURE: 2982600 -44.5509 107.39 51.961 134.058 -160.496 144.168 122.245 9.185 -306.827 PRESSAVG: 2982600 19.6195 -14.7695 7.87106 -14.7695 -43.0323 -56.6598 7.87107 -56.6598 -11.5699 GPRESSAVG: 2982600 20.7608 -16.5709 7.17481 -16.2096 -44.0795 -57.1492 7.17582 -59.5449 -12.2493 TIMING: 2982600 CPU: 9492.96, 0.00310184/step Wall: 9492.96, 0.00310184/step, 1.73824 hours remaining, 234.789062 MB of memory in use. ENERGY: 2982600 4001.9357 20482.3020 14516.6450 258.7943 -203588.7017 2496.3157 0.0000 0.0000 51967.5152 -109865.1938 298.6580 -161832.7090 -109504.6165 298.3216 -189.9220 -170.6248 763190.5657 -11.6609 -11.8560 PRESSURE: 2982800 173.688 187.175 223.504 187.174 -38.1188 297.603 223.504 297.604 137.563 GPRESSURE: 2982800 234.746 110.66 241.242 67.5831 11.2563 174.143 165.376 265.075 97.6388 PRESSAVG: 2982800 10.5955 9.31896 2.56908 9.31897 -20.7227 -36.7827 2.56903 -36.7828 2.09162 GPRESSAVG: 2982800 8.89458 12.0939 2.01979 8.56208 -19.1509 -37.6303 3.32653 -34.5691 1.62193 TIMING: 2982800 CPU: 9493.59, 0.00313741/step Wall: 9493.59, 0.00313742/step, 1.758 hours remaining, 234.789062 MB of memory in use. ENERGY: 2982800 4012.6055 20350.9118 14439.9821 250.5961 -203415.3991 2698.0929 0.0000 0.0000 51766.5387 -109896.6719 297.5030 -161663.2106 -109527.0038 298.7825 91.0442 114.5471 762619.1430 -2.6785 -2.8781 PRESSURE: 2983000 160.332 -17.1746 -157.468 -17.1751 -131.791 -46.2382 -157.468 -46.2373 16.7562 GPRESSURE: 2983000 128.941 -59.3149 -149.126 -22.0924 -50.4569 32.1168 -114.31 -106.34 45.4174 PRESSAVG: 2983000 30.1596 -25.3628 -3.61515 -25.3628 6.08668 -31.0079 -3.61514 -31.008 30.3114 GPRESSAVG: 2983000 32.3124 -27.8607 -1.10646 -25.5658 4.65617 -29.5739 -4.82015 -32.7258 29.5035 TIMING: 2983000 CPU: 9494.21, 0.00310814/step Wall: 9494.21, 0.00310814/step, 1.74142 hours remaining, 234.789062 MB of memory in use. ENERGY: 2983000 3909.2826 20595.7361 14506.8723 246.9422 -203661.4652 2515.5687 0.0000 0.0000 51986.2971 -109900.7663 298.7660 -161887.0633 -109524.6172 298.5542 15.0991 41.3005 760394.2653 22.1859 22.1574 PRESSURE: 2983200 -114.476 -235.505 58.9669 -235.505 -218.554 -19.5337 58.9658 -19.5337 274.301 GPRESSURE: 2983200 -63.5647 -70.5129 63.1506 -146.018 -134.167 -14.9903 110.837 -11.5017 220.391 PRESSAVG: 2983200 -7.58642 -69.6723 34.9161 -69.6724 6.4157 -39.3643 34.9161 -39.3643 -8.33385 GPRESSAVG: 2983200 -7.92758 -68.1516 34.7983 -69.2701 8.94692 -41.1863 35.6352 -38.2886 -9.98975 TIMING: 2983200 CPU: 9494.83, 0.0031264/step Wall: 9494.83, 0.0031264/step, 1.75148 hours remaining, 234.789062 MB of memory in use. ENERGY: 2983200 4013.7924 20520.8674 14522.6756 237.0340 -203376.3946 2436.4627 0.0000 0.0000 51881.2264 -109764.3361 298.1621 -161645.5625 -109402.8538 298.5591 -19.5762 7.5531 761589.9029 -3.1682 -2.9901 PRESSURE: 2983400 -365.054 266.174 -52.1715 266.175 -217.14 -22.0258 -52.1723 -22.0256 -86.6412 GPRESSURE: 2983400 -330.554 200.185 -89.5339 170.286 -125.358 32.86 -16.9632 -30.5857 -122.3 PRESSAVG: 2983400 -3.43521 -57.5554 4.53824 -57.5554 47.8667 -16.6733 4.53819 -16.6734 -13.7428 GPRESSAVG: 2983400 -4.09107 -59.6147 2.41363 -57.8085 46.4525 -15.2986 5.40628 -18.1391 -11.6832 TIMING: 2983400 CPU: 9495.45, 0.00310228/step Wall: 9495.45, 0.00310228/step, 1.73779 hours remaining, 234.789062 MB of memory in use. ENERGY: 2983400 4029.9703 20434.0942 14549.6829 254.7914 -203377.9141 2402.4696 0.0000 0.0000 52080.6402 -109626.2656 299.3082 -161706.9058 -109269.1213 298.7159 -222.9454 -192.7372 761707.7419 10.2295 10.2261 PRESSURE: 2983600 256.964 -210.995 23.9206 -210.994 -2.89649 -67.9335 23.9212 -67.9328 -269.363 GPRESSURE: 2983600 285.527 -186.823 12.148 -69.4181 71.398 -27.7938 51.0628 72.2472 -274.777 PRESSAVG: 2983600 19.7659 -16.3741 13.1146 -16.3741 -10.4033 -23.4193 13.1146 -23.4193 16.3979 GPRESSAVG: 2983600 18.8085 -15.5274 12.9582 -15.8814 -9.76199 -23.4699 13.6193 -24.1641 16.2034 TIMING: 2983600 CPU: 9496.07, 0.00310514/step Wall: 9496.07, 0.00310514/step, 1.73922 hours remaining, 234.789062 MB of memory in use. ENERGY: 2983600 4008.5775 20521.1507 14500.1532 242.1127 -203368.1463 2613.3325 0.0000 0.0000 51748.6462 -109734.1736 297.4002 -161482.8198 -109369.4661 298.9561 -5.0985 27.3826 760585.2277 8.5868 8.4166 PRESSURE: 2983800 34.6727 135.991 371.142 135.991 -43.0662 110.312 371.142 110.311 -10.1634 GPRESSURE: 2983800 162.528 123.015 298.917 23.1346 -3.5863 -24.881 312.511 177.305 -92.2691 PRESSAVG: 2983800 65.9892 -53.5474 12.0116 -53.5475 -56.8558 63.9558 12.0116 63.9559 -29.9552 GPRESSAVG: 2983800 66.3344 -54.2947 13.3141 -53.5282 -57.3867 64.6707 8.10461 66.5826 -29.6178 TIMING: 2983800 CPU: 9496.7, 0.00310976/step Wall: 9496.7, 0.00310976/step, 1.74164 hours remaining, 234.789062 MB of memory in use. ENERGY: 2983800 3980.2543 20413.6132 14462.2080 245.6053 -203514.6326 2767.0773 0.0000 0.0000 52059.4707 -109586.4039 299.1865 -161645.8746 -109216.8386 298.9620 -6.1856 22.2241 760029.6992 -6.9406 -6.8901 PRESSURE: 2984000 24.4635 -98.9623 37.6946 -98.962 -99.8955 46.8316 37.6936 46.832 113.005 GPRESSURE: 2984000 6.82235 -61.6675 34.7192 -57.3519 15.5617 -36.5879 51.5118 93.4834 99.0087 PRESSAVG: 2984000 -53.0271 -45.816 -19.5444 -45.816 59.8441 -6.43512 -19.5444 -6.43511 4.46331 GPRESSAVG: 2984000 -53.5062 -45.0402 -20.6021 -45.8415 60.0588 -6.92353 -17.9704 -7.60865 4.76692 TIMING: 2984000 CPU: 9497.32, 0.00311167/step Wall: 9497.32, 0.00311167/step, 1.74254 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2984000 4010.9526 20474.7876 14496.5950 256.2296 -203111.5275 2527.1168 0.0000 0.0000 52034.6959 -109311.1501 299.0441 -161345.8460 -108957.9483 298.8885 12.5242 40.4642 760821.6394 3.7601 3.7732 PRESSURE: 2984200 -332.616 -140.104 10.1784 -140.104 -51.2688 -6.31099 10.1784 -6.31097 -371.57 GPRESSURE: 2984200 -188.285 -104.854 23.4598 -183.729 -113.017 -60.7764 52.1267 -121.909 -336.451 PRESSAVG: 2984200 -30.4872 -62.548 11.4032 -62.548 26.3654 26.4668 11.4031 26.4669 -3.92333 GPRESSAVG: 2984200 -29.8581 -63.0993 12.7924 -62.6709 26.0721 25.5293 10.2469 26.2443 -3.98247 TIMING: 2984200 CPU: 9497.94, 0.00310555/step Wall: 9497.94, 0.00310555/step, 1.73893 hours remaining, 234.789062 MB of memory in use. ENERGY: 2984200 3971.1862 20633.4252 14430.4814 240.6222 -203062.7312 2305.9930 0.0000 0.0000 52253.1869 -109227.8363 300.2998 -161481.0232 -108870.9792 299.2433 -251.8180 -212.5844 760362.1763 -2.6817 -2.5895 LDB: ============= START OF LOAD BALANCING ============== 9510.36 LDB: ============== END OF LOAD BALANCING =============== 9510.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9510.36 LDB: ============= START OF LOAD BALANCING ============== 9510.67 LDB: Largest compute 7074 load 0.030898 is 15.8% of average load 0.195569 LDB: Average compute 0.004416 is 2.3% of average load 0.195569 LDB: TIME 9510.67 LOAD: AVG 0.195569 MAX 0.216001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.684 MB LDB: TIME 9510.67 LOAD: AVG 0.195569 MAX 0.216001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.777 MB LDB: TIME 9510.67 LOAD: AVG 0.195569 MAX 0.216001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.777 MB LDB: ============== END OF LOAD BALANCING =============== 9510.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9510.68 PRESSURE: 2984400 34.1125 63.7082 -83.1815 63.7085 -203.041 -44.1233 -83.1814 -44.1225 12.5342 GPRESSURE: 2984400 22.2034 18.2261 -48.9028 80.1475 -185.429 74.4499 -17.5041 9.76226 81.7569 PRESSAVG: 2984400 -49.4223 -47.8538 12.3403 -47.8537 9.13581 -18.1109 12.3402 -18.1109 -0.0824036 GPRESSAVG: 2984400 -49.3557 -49.5274 12.4391 -47.9588 8.22235 -18.5149 12.6494 -19.2062 0.28066 TIMING: 2984400 CPU: 9498.58, 0.00317822/step Wall: 9498.58, 0.00317822/step, 1.77945 hours remaining, 234.250000 MB of memory in use. ENERGY: 2984400 3950.6639 20496.1064 14517.3713 272.1498 -203038.8313 2326.3455 0.0000 0.0000 52008.4542 -109467.7402 298.8933 -161476.1944 -109105.7312 299.8466 -52.1315 -27.1561 760670.2245 -13.4563 -13.6176 PRESSURE: 2984600 -100.967 216.518 124.528 216.518 123.641 54.1601 124.528 54.1592 -304.445 GPRESSURE: 2984600 -32.4286 62.5189 91.3753 272.244 117.546 185.855 54.3302 -24.9195 -277.736 PRESSAVG: 2984600 7.47386 -61.4624 26.1769 -61.4624 3.31052 -44.8515 26.1769 -44.8515 -6.35963 GPRESSAVG: 2984600 8.56174 -60.1819 24.4762 -59.8708 3.83046 -44.5064 28.8376 -43.2647 -8.02535 TIMING: 2984600 CPU: 9499.2, 0.00311828/step Wall: 9499.2, 0.00311828/step, 1.74572 hours remaining, 234.250000 MB of memory in use. ENERGY: 2984600 4031.3766 20531.9351 14482.1062 263.4259 -203437.2991 2774.3346 0.0000 0.0000 51967.9179 -109386.2027 298.6603 -161354.1206 -109028.5874 299.8938 -93.9238 -64.2060 761411.1586 1.4749 1.4556 PRESSURE: 2984800 6.54568 42.454 100.73 42.454 -206.888 -84.2647 100.73 -84.2649 24.3878 GPRESSURE: 2984800 82.316 91.0773 17.3078 67.1509 -167.85 -50.0626 75.1773 -78.0708 -10.0173 PRESSAVG: 2984800 47.8223 -51.0636 -7.03263 -51.0636 -4.69026 -72.1661 -7.03266 -72.1661 6.30011 GPRESSAVG: 2984800 47.4402 -49.3662 -6.55052 -51.6252 -5.14342 -69.5929 -8.02804 -72.7386 7.21089 TIMING: 2984800 CPU: 9499.82, 0.00311079/step Wall: 9499.82, 0.00311079/step, 1.74135 hours remaining, 234.250000 MB of memory in use. ENERGY: 2984800 3986.7306 20464.4373 14487.6329 251.5136 -203274.6004 2626.9428 0.0000 0.0000 51963.8416 -109493.5017 298.6369 -161457.3432 -109137.9029 299.5811 -58.6514 -31.8504 762843.9861 16.4774 16.5026 PRESSURE: 2985000 183.358 -97.7408 -110 -97.7411 -182.586 11.6761 -110 11.6761 52.6381 GPRESSURE: 2985000 176.186 -38.6508 -122.161 -10.6094 -92.0375 5.4482 -73.8029 -40.9541 38.8781 PRESSAVG: 2985000 12.3945 -35.2676 -26.0282 -35.2676 -21.1503 -64.8922 -26.0282 -64.8922 -27.2698 GPRESSAVG: 2985000 11.6046 -34.4786 -26.3653 -37.0196 -20.9699 -66.7592 -26.7643 -65.9836 -26.2186 TIMING: 2985000 CPU: 9500.45, 0.00311818/step Wall: 9500.45, 0.00311818/step, 1.74531 hours remaining, 234.250000 MB of memory in use. ENERGY: 2985000 3921.5587 20498.2310 14513.0770 239.5279 -203406.8878 2731.3012 0.0000 0.0000 52068.0056 -109435.1864 299.2355 -161503.1920 -109074.6837 299.3987 17.8035 41.0087 762032.8530 -12.0085 -11.8613 PRESSURE: 2985200 -182.396 63.0042 -116.222 63.0049 -92.9168 -174.881 -116.222 -174.881 306.324 GPRESSURE: 2985200 -159.023 103.072 -226.911 -8.94232 -4.23376 -183.614 -155.901 -163.028 273.55 PRESSAVG: 2985200 11.3263 18.3133 22.4834 18.3133 11.6619 -23.3979 22.4834 -23.398 -6.08584 GPRESSAVG: 2985200 10.7118 16.3593 21.831 19.7265 12.6937 -23.888 23.7929 -24.1494 -7.0407 TIMING: 2985200 CPU: 9501.07, 0.00311282/step Wall: 9501.07, 0.00311282/step, 1.74214 hours remaining, 234.250000 MB of memory in use. ENERGY: 2985200 4053.7997 20519.8750 14478.8454 245.6577 -203338.5286 2624.5934 0.0000 0.0000 52099.5572 -109316.2002 299.4169 -161415.7574 -108955.5103 299.7787 10.3370 36.7641 761624.4818 5.6341 5.4549 PRESSURE: 2985400 307.713 21.8741 50.4113 21.874 202.127 47.4368 50.4111 47.4374 18.1606 GPRESSURE: 2985400 225.181 -47.6701 41.6138 76.2088 285.093 20.0301 101.778 16.3775 108.353 PRESSAVG: 2985400 23.4495 -73.124 -30.3094 -73.124 34.1211 -46.8166 -30.3094 -46.8167 33.6417 GPRESSAVG: 2985400 24.3734 -73.5963 -28.6518 -74.0395 33.386 -46.9048 -29.6967 -45.1843 33.5675 TIMING: 2985400 CPU: 9501.69, 0.00311189/step Wall: 9501.69, 0.00311189/step, 1.74145 hours remaining, 234.250000 MB of memory in use. ENERGY: 2985400 3974.3633 20580.6176 14404.5864 264.1438 -203570.2614 2886.4025 0.0000 0.0000 52101.2413 -109358.9064 299.4265 -161460.1478 -109001.8746 299.8116 176.0001 206.2094 760808.0357 30.4041 30.4423 PRESSURE: 2985600 143.045 -42.1125 -49.1764 -42.1128 80.2993 -16.3664 -49.1769 -16.3664 -61.0052 GPRESSURE: 2985600 176.451 -80.6226 -114.427 3.43122 153.166 29.2985 -81.679 -145.734 -86.6555 PRESSAVG: 2985600 51.3204 -47.7032 0.0616283 -47.7032 -16.6307 -40.1416 0.0616088 -40.1416 27.0542 GPRESSAVG: 2985600 50.8928 -47.8366 -1.82088 -47.4366 -16.1562 -39.8877 -1.12786 -39.9406 27.0243 TIMING: 2985600 CPU: 9502.31, 0.00310125/step Wall: 9502.31, 0.00310125/step, 1.73532 hours remaining, 234.250000 MB of memory in use. ENERGY: 2985600 4064.1534 20532.5211 14434.6702 244.3945 -203486.1538 2602.9040 0.0000 0.0000 52252.3283 -109355.1822 300.2948 -161607.5105 -108994.4153 299.9681 54.1131 80.9871 760572.6186 20.5813 20.5870 PRESSURE: 2985800 7.58517 -204.287 -31.5455 -204.287 -185.04 -310.619 -31.5455 -310.619 67.7493 GPRESSURE: 2985800 -15.5888 -177.318 7.13187 -100.985 -90.7233 -239.902 123.232 -306.872 89.8083 PRESSAVG: 2985800 -15.6407 -23.1459 -5.69962 -23.146 -62.5814 -25.0199 -5.6996 -25.02 -6.84046 GPRESSAVG: 2985800 -15.6893 -23.2245 -2.64185 -23.2966 -62.7521 -25.0262 -6.38088 -25.8767 -6.48562 TIMING: 2985800 CPU: 9502.93, 0.00310892/step Wall: 9502.93, 0.00310892/step, 1.73944 hours remaining, 234.250000 MB of memory in use. ENERGY: 2985800 4027.0817 20696.1244 14436.9958 259.7138 -202945.2102 2173.8969 0.0000 0.0000 51926.6367 -109424.7609 298.4231 -161351.3975 -109070.8316 299.0432 -36.5684 -5.5013 762375.6040 -28.3542 -28.3090 PRESSURE: 2986000 67.959 54.3978 275.058 54.399 -171.617 -76.0598 275.058 -76.0595 -56.3954 GPRESSURE: 2986000 96.479 25.6157 253.412 -111.097 -151.315 -84.6845 238.009 -46.4089 -6.41843 PRESSAVG: 2986000 18.3951 -34.467 -23.8013 -34.467 -16.4613 -20.0588 -23.8013 -20.0588 17.9169 GPRESSAVG: 2986000 18.7051 -33.812 -25.5983 -35.8149 -17.2773 -20.3577 -22.1551 -20.4429 18.082 TIMING: 2986000 CPU: 9503.56, 0.00313178/step Wall: 9503.56, 0.00313178/step, 1.75206 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 3964.1230 20513.8383 14382.0486 234.1961 -203213.6920 2452.6363 0.0000 0.0000 51980.1654 -109686.6843 298.7307 -161666.8497 -109323.4965 299.3421 -53.3512 -20.4183 761335.8394 6.6169 6.5033 PRESSURE: 2986200 -301.543 -107.602 58.3772 -107.602 -217.258 -143.328 58.3781 -143.327 -420.686 GPRESSURE: 2986200 -238.618 -76.6159 5.36807 -64.8208 -201.499 -134.553 16.3003 -189.146 -412.408 PRESSAVG: 2986200 -11.9791 7.96465 -46.315 7.9647 -2.12526 -43.1926 -46.315 -43.1926 23.8184 GPRESSAVG: 2986200 -12.962 8.20354 -47.4699 7.96286 -1.03685 -42.0142 -47.3812 -42.9161 23.2609 TIMING: 2986200 CPU: 9504.18, 0.00311586/step Wall: 9504.18, 0.00311586/step, 1.74298 hours remaining, 234.250000 MB of memory in use. ENERGY: 2986200 3974.2563 20396.3167 14477.3115 263.9418 -203357.7164 2550.3056 0.0000 0.0000 52019.5306 -109676.0539 298.9570 -161695.5845 -109315.4001 298.7735 -313.1622 -284.1753 761435.4994 3.2380 3.0873 PRESSURE: 2986400 95.4401 -171.971 17.4964 -171.971 -136.531 -125.976 17.4966 -125.976 -262.597 GPRESSURE: 2986400 52.7554 -131.329 23.842 -105.995 -33.4604 -248.023 39.4739 -110.995 -231.166 PRESSAVG: 2986400 -41.4587 -36.0302 -45.802 -36.0303 -4.1989 -72.3338 -45.802 -72.3338 9.07942 GPRESSAVG: 2986400 -40.0746 -35.2501 -43.9138 -33.9161 -4.59318 -73.496 -43.5386 -71.4818 8.17121 TIMING: 2986400 CPU: 9504.81, 0.00313664/step Wall: 9504.81, 0.00313664/step, 1.75443 hours remaining, 234.250000 MB of memory in use. ENERGY: 2986400 3865.0182 20445.4984 14484.3196 243.7096 -202645.9204 2189.0354 0.0000 0.0000 51647.2766 -109771.0626 296.8176 -161418.3392 -109405.1720 298.8029 -101.2293 -70.6236 761288.3992 -12.1927 -12.1655 PRESSURE: 2986600 130.245 68.6077 29.5639 68.608 -206.38 -27.1999 29.5636 -27.2001 235.084 GPRESSURE: 2986600 113.688 45.757 21.8036 -35.609 -168.707 15.3784 -37.7768 4.30476 286.368 PRESSAVG: 2986600 -26.7407 -11.6075 19.1229 -11.6075 1.37792 -50.4696 19.1228 -50.4696 -10.0074 GPRESSAVG: 2986600 -27.6911 -12.7218 18.533 -12.838 1.73779 -48.9882 18.1582 -53.1008 -9.80725 TIMING: 2986600 CPU: 9505.43, 0.00312189/step Wall: 9505.43, 0.00312189/step, 1.746 hours remaining, 234.250000 MB of memory in use. ENERGY: 2986600 3973.0971 20561.3772 14363.3179 264.1071 -203270.9959 2416.4766 0.0000 0.0000 51863.7503 -109828.8697 298.0617 -161692.6200 -109453.9869 298.6004 52.9829 77.1165 760180.2489 -11.7901 -11.9202 PRESSURE: 2986800 60.0259 -104.639 164.098 -104.638 -372.458 -44.3457 164.098 -44.3458 263.685 GPRESSURE: 2986800 54.3122 -136.41 243.65 51.7521 -276.183 -28.6626 167.932 24.1615 236.786 PRESSAVG: 2986800 -18.269 -8.25264 49.7944 -8.25259 26.0305 -73.2353 49.7945 -73.2353 9.30173 GPRESSAVG: 2986800 -18.2848 -8.2921 49.3908 -8.11616 25.6408 -74.5754 49.0354 -70.4685 9.64917 TIMING: 2986800 CPU: 9506.06, 0.00311117/step Wall: 9506.06, 0.00311117/step, 1.73983 hours remaining, 234.250000 MB of memory in use. ENERGY: 2986800 3928.4460 20578.6850 14341.7985 256.8883 -203114.3154 2171.6693 0.0000 0.0000 52154.4134 -109682.4148 299.7321 -161836.8282 -109319.9858 298.5857 -16.2490 4.9719 759548.7205 5.6877 5.6684 PRESSURE: 2987000 3.64856 131.442 -121.058 131.442 -86.6741 133.764 -121.058 133.764 176.911 GPRESSURE: 2987000 54.8939 112.625 -4.59261 32.6223 -63.6029 107.518 -147.995 62.5629 207.621 PRESSAVG: 2987000 3.81007 -9.67171 -22.1771 -9.67166 23.7185 -39.9083 -22.1771 -39.9083 -3.02723 GPRESSAVG: 2987000 3.54963 -9.57714 -19.9698 -10.5602 23.0267 -37.8594 -23.7297 -43.1098 -2.12735 TIMING: 2987000 CPU: 9506.68, 0.0031198/step Wall: 9506.68, 0.0031198/step, 1.74449 hours remaining, 234.250000 MB of memory in use. ENERGY: 2987000 3999.0859 20399.8659 14434.5883 250.5542 -203086.2376 2542.3712 0.0000 0.0000 51791.6398 -109668.1323 297.6473 -161459.7721 -109306.7862 299.1287 31.2951 66.3041 760853.1903 8.1671 8.1497 PRESSURE: 2987200 -223.029 -307.826 -111.397 -307.827 24.773 66.7911 -111.398 66.7913 -235.391 GPRESSURE: 2987200 -169.565 -253.471 -75.2114 -309.933 122.517 153.325 -130.456 49.7329 -289.695 PRESSAVG: 2987200 11.3033 -37.3156 -10.6783 -37.3156 -31.4845 -43.9446 -10.6783 -43.9445 -12.6982 GPRESSAVG: 2987200 12.3469 -36.1474 -11.6453 -37.2473 -31.4416 -43.9551 -8.75363 -44.2376 -13.961 TIMING: 2987200 CPU: 9507.3, 0.0031184/step Wall: 9507.3, 0.0031184/step, 1.74353 hours remaining, 234.250000 MB of memory in use. ENERGY: 2987200 3946.6595 20371.1549 14476.9929 235.0067 -203715.0112 2850.7606 0.0000 0.0000 51980.3809 -109854.0555 298.7320 -161834.4364 -109498.6567 298.5826 -144.5493 -112.2476 762445.2711 -10.9598 -11.0186 PRESSURE: 2987400 78.0953 -41.357 80.2865 -41.3567 153.87 186.727 80.2862 186.727 -376.801 GPRESSURE: 2987400 11.1599 -5.31087 119.2 -16.4102 240.913 173.607 33.5498 150.159 -310.572 PRESSAVG: 2987400 -28.4213 -59.3201 16.8017 -59.3201 7.70996 -3.39005 16.8016 -3.39002 -4.01499 GPRESSAVG: 2987400 -28.2716 -57.7303 15.4114 -58.5694 7.6451 -2.712 14.3872 -1.59435 -3.60374 TIMING: 2987400 CPU: 9507.93, 0.00313647/step Wall: 9507.93, 0.00313647/step, 1.75346 hours remaining, 234.250000 MB of memory in use. ENERGY: 2987400 3981.2272 20552.8095 14514.3365 259.8839 -203668.1538 2787.6167 0.0000 0.0000 51812.3231 -109759.9570 297.7661 -161572.2800 -109408.7796 298.3567 -48.2785 -19.4998 762326.3039 -8.2421 -8.0768 PRESSURE: 2987600 -130.009 -37.3809 -198.989 -37.381 172.359 96.1442 -198.988 96.1438 -188.874 GPRESSURE: 2987600 -50.7526 -85.4411 -134.484 -5.47782 137.172 52.8046 -125.88 76.3718 -172.261 PRESSAVG: 2987600 -28.953 -54.4332 16.9331 -54.4332 44.5888 24.5466 16.9331 24.5466 13.9032 GPRESSAVG: 2987600 -29.5026 -55.8048 18.3792 -53.3756 44.4843 23.7784 19.1893 23.7816 14.0579 TIMING: 2987600 CPU: 9508.55, 0.00311833/step Wall: 9508.55, 0.00311833/step, 1.74314 hours remaining, 234.250000 MB of memory in use. ENERGY: 2987600 3982.6513 20375.2292 14409.0092 239.0865 -203528.6812 2561.0973 0.0000 0.0000 52371.4630 -109590.1447 300.9795 -161961.6077 -109224.1294 298.5804 -48.8412 -28.6139 762774.7784 9.8463 9.6798 PRESSURE: 2987800 -158.187 134.637 216.743 134.636 -70.08 225.945 216.744 225.945 304.814 GPRESSURE: 2987800 -100.274 159.185 139.4 75.8144 25.8955 257.96 113.316 290.356 223.582 PRESSAVG: 2987800 -56.1695 -34.6649 31.2264 -34.6649 3.81706 -18.9878 31.2264 -18.9878 10.4826 GPRESSAVG: 2987800 -56.0539 -34.6632 28.4489 -35.7147 3.17399 -18.1141 32.3582 -17.8317 11.2578 TIMING: 2987800 CPU: 9509.18, 0.00311093/step Wall: 9509.18, 0.00311093/step, 1.73884 hours remaining, 234.250000 MB of memory in use. ENERGY: 2987800 4017.1202 20358.8816 14440.5009 240.3750 -203634.8643 2712.1577 0.0000 0.0000 52020.5752 -109845.2537 298.9630 -161865.8289 -109482.6938 298.6312 25.5156 49.7344 762584.3880 -13.9566 -13.8740 PRESSURE: 2988000 -251.63 -97.1834 173.492 -97.1824 -13.681 23.7599 173.492 23.7588 194.267 GPRESSURE: 2988000 -174.959 -156.089 231.801 -55.8565 -2.24049 -106.119 145.838 -20.0064 187.384 PRESSAVG: 2988000 -25.5764 -50.5905 -3.24197 -50.5905 49.6831 -20.0386 -3.24196 -20.0386 -5.20783 GPRESSAVG: 2988000 -26.0104 -48.1996 -1.86264 -51.1302 50.8849 -21.542 -5.14877 -19.3715 -5.18273 TIMING: 2988000 CPU: 9509.8, 0.00310309/step Wall: 9509.8, 0.00310309/step, 1.73428 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 4080.6759 20462.5964 14408.3684 241.4045 -203646.8675 2640.9923 0.0000 0.0000 52067.8896 -109744.9403 299.2349 -161812.8299 -109394.6837 298.9718 -23.6815 3.3949 760092.8612 6.2996 6.5639 PRESSURE: 2988200 243.781 -53.2134 -120.646 -53.2137 -11.4485 -125.619 -120.646 -125.619 -91.0878 GPRESSURE: 2988200 237.04 41.7014 -124.167 24.9715 76.4299 -76.803 31.3618 -131.855 -88.2931 PRESSAVG: 2988200 47.0151 -40.1584 18.0071 -40.1583 -25.065 -38.7118 18.007 -38.7118 0.755385 GPRESSAVG: 2988200 47.7334 -42.7508 17.9668 -39.9993 -25.2649 -38.3619 19.1091 -38.3421 0.0898627 TIMING: 2988200 CPU: 9510.42, 0.00312482/step Wall: 9510.42, 0.00312482/step, 1.74625 hours remaining, 234.250000 MB of memory in use. ENERGY: 2988200 3966.3812 20630.1061 14441.2318 250.1122 -203366.5608 2623.5108 0.0000 0.0000 51894.6136 -109560.6051 298.2391 -161455.2187 -109207.5414 299.5938 47.0816 75.0590 761004.0717 7.5685 7.5195 LDB: ============= START OF LOAD BALANCING ============== 9522.84 LDB: ============== END OF LOAD BALANCING =============== 9522.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9522.84 LDB: ============= START OF LOAD BALANCING ============== 9523.16 LDB: Largest compute 7075 load 0.032586 is 16.7% of average load 0.195495 LDB: Average compute 0.004395 is 2.2% of average load 0.195495 LDB: TIME 9523.16 LOAD: AVG 0.195495 MAX 0.214537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.898 MB LDB: TIME 9523.16 LOAD: AVG 0.195495 MAX 0.214537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.898 MB LDB: TIME 9523.16 LOAD: AVG 0.195495 MAX 0.214537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.898 MB LDB: ============== END OF LOAD BALANCING =============== 9523.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9523.17 PRESSURE: 2988400 52.621 200.846 -115.066 200.846 108.549 38.2834 -115.066 38.2833 -193.116 GPRESSURE: 2988400 -22.2218 71.2817 -156.745 176.782 230.687 -23.4295 -254.313 65.0945 -129.042 PRESSAVG: 2988400 18.893 -56.2866 -0.636233 -56.2865 24.3677 -32.5031 -0.636205 -32.5031 -18.209 GPRESSAVG: 2988400 19.6558 -56.7193 -0.91186 -54.1927 23.5613 -32.6868 -0.0183084 -33.489 -18.1704 TIMING: 2988400 CPU: 9511.07, 0.00321631/step Wall: 9511.07, 0.00321631/step, 1.7972 hours remaining, 234.125000 MB of memory in use. ENERGY: 2988400 4013.1508 20513.6053 14415.9566 240.5153 -203355.2508 2540.0653 0.0000 0.0000 52148.4958 -109483.4616 299.6981 -161631.9574 -109127.6231 299.3700 -10.6486 26.4742 761172.3183 8.3506 8.3489 PRESSURE: 2988600 -353.531 65.9521 -53.16 65.9513 -318.418 162.224 -53.1601 162.225 45.1775 GPRESSURE: 2988600 -299.258 171.848 14.9262 85.8588 -373.566 131.078 -40.0053 120.726 115.081 PRESSAVG: 2988600 43.6135 -65.2558 -47.9607 -65.2557 -30.3724 26.5206 -47.9607 26.5206 3.10897 GPRESSAVG: 2988600 42.2893 -64.2115 -47.713 -66.1328 -29.597 26.1352 -50.8174 29.2914 3.41095 TIMING: 2988600 CPU: 9511.69, 0.00313112/step Wall: 9511.69, 0.00313112/step, 1.74943 hours remaining, 234.640625 MB of memory in use. ENERGY: 2988600 4094.4577 20555.8818 14451.1728 241.6643 -203263.0331 2441.1901 0.0000 0.0000 52188.4949 -109290.1717 299.9280 -161478.6665 -108933.6560 299.6230 -208.9238 -185.9143 762862.2194 5.4500 5.3678 PRESSURE: 2988800 -131.698 104.617 -140.964 104.617 -66.6181 142.047 -140.963 142.047 31.1099 GPRESSURE: 2988800 -109.335 215.316 -90.9168 -7.73507 46.1838 62.2031 -153.726 149.055 -9.52654 PRESSAVG: 2988800 11.2672 -25.9842 -40.5309 -25.9842 -9.82904 -44.2272 -40.5309 -44.2272 15.7031 GPRESSAVG: 2988800 12.1702 -26.8927 -40.7932 -27.8454 -10.2642 -44.3375 -37.7139 -47.3755 15.3016 TIMING: 2988800 CPU: 9512.32, 0.00313999/step Wall: 9512.32, 0.00313999/step, 1.75421 hours remaining, 234.640625 MB of memory in use. ENERGY: 2988800 3999.0193 20525.1153 14497.5635 259.6359 -202988.7945 2357.2427 0.0000 0.0000 52031.7707 -109318.4471 299.0273 -161350.2178 -108959.7607 299.7932 -55.7354 -24.2259 761368.7310 5.7138 5.7358 PRESSURE: 2989000 -397.916 140.523 75.5318 140.523 187.599 -27.5884 75.5323 -27.589 -235.07 GPRESSURE: 2989000 -392.508 80.3104 32.5617 244.162 205.967 -72.3223 137.197 79.3539 -151.194 PRESSAVG: 2989000 21.0792 -32.082 -3.15684 -32.082 3.71586 8.81525 -3.15681 8.81524 -7.2236 GPRESSAVG: 2989000 19.8766 -32.5379 -3.29299 -29.4773 4.86051 8.50283 -4.14746 10.0535 -6.86644 TIMING: 2989000 CPU: 9512.95, 0.00313829/step Wall: 9512.95, 0.00313829/step, 1.75308 hours remaining, 234.640625 MB of memory in use. ENERGY: 2989000 4007.5747 20610.4522 14381.0932 247.9409 -203342.8663 2604.4792 0.0000 0.0000 51927.4554 -109563.8708 298.4278 -161491.3261 -109207.2690 299.2115 -148.4623 -112.5784 760631.3267 5.8572 5.9569 PRESSURE: 2989200 -200.16 -166.835 -199.77 -166.835 -348.829 44.0985 -199.769 44.0984 -254.975 GPRESSURE: 2989200 -237.46 -169.912 -232.931 -142.917 -247.39 114.912 -217.608 9.8196 -230.585 PRESSAVG: 2989200 -1.08381 -60.7531 -30.3385 -60.7531 -17.6939 2.01868 -30.3385 2.01877 -9.92569 GPRESSAVG: 2989200 -0.403817 -58.9077 -32.1552 -63.8403 -18.8409 2.83719 -28.0477 3.44796 -9.75665 TIMING: 2989200 CPU: 9513.57, 0.0031373/step Wall: 9513.57, 0.0031373/step, 1.75236 hours remaining, 234.718750 MB of memory in use. ENERGY: 2989200 4007.4411 20528.8281 14464.0019 247.2753 -203350.6435 2279.9740 0.0000 0.0000 52338.7059 -109484.4172 300.7913 -161823.1231 -109110.0397 299.1677 -267.9879 -238.4781 758655.5718 -9.5678 -9.6671 PRESSURE: 2989400 9.64777 -114.971 230.919 -114.972 -148.566 21.9488 230.919 21.948 363.639 GPRESSURE: 2989400 109.928 -136.748 175.857 -44.1831 -143.48 70.7688 187.029 3.33587 318.326 PRESSAVG: 2989400 32.2732 -37.3407 -61.0281 -37.3407 -23.5775 10.3996 -61.028 10.3995 17.0777 GPRESSAVG: 2989400 32.5555 -37.4179 -58.078 -34.9605 -23.5673 11.9953 -61.9763 8.32087 16.8758 TIMING: 2989400 CPU: 9514.2, 0.00313626/step Wall: 9514.2, 0.00313626/step, 1.7516 hours remaining, 234.804688 MB of memory in use. ENERGY: 2989400 3979.0986 20508.2348 14487.9949 250.6326 -203402.8717 2479.3664 0.0000 0.0000 52257.6915 -109439.8530 300.3257 -161697.5444 -109083.6756 299.6434 74.9068 94.9246 760639.8277 8.5911 8.6213 PRESSURE: 2989600 146.002 -55.9982 143.094 -55.9977 -194.316 102.379 143.094 102.38 -290.068 GPRESSURE: 2989600 117.032 -169.89 92.2628 48.2177 -156.529 91.723 143.436 34.5715 -214.551 PRESSAVG: 2989600 99.7175 -37.0575 -10.6947 -37.0575 -66.1111 15.8879 -10.6947 15.8879 8.29316 GPRESSAVG: 2989600 98.9924 -39.028 -11.1895 -34.901 -65.1243 13.5994 -12.4469 16.289 8.4683 TIMING: 2989600 CPU: 9514.84, 0.00317422/step Wall: 9514.84, 0.00317422/step, 1.77262 hours remaining, 234.804688 MB of memory in use. ENERGY: 2989600 3973.9763 20424.5584 14536.0172 244.3565 -203150.4456 2426.4989 0.0000 0.0000 52144.0227 -109401.0157 299.6724 -161545.0383 -109042.0317 299.4239 -112.7940 -84.6825 758669.3045 13.9665 14.1121 PRESSURE: 2989800 447.27 -78.6212 17.7361 -78.6216 240.726 166.478 17.736 166.478 -107.928 GPRESSURE: 2989800 398.502 -162.469 55.9011 -79.8155 368.498 216.879 -3.7817 159.82 -102.109 PRESSAVG: 2989800 22.4412 -54.9638 24.3409 -54.9638 -9.87134 -25.8855 24.341 -25.8855 -2.54188 GPRESSAVG: 2989800 21.8765 -53.5662 23.2115 -57.4544 -11.1249 -24.6819 26.0788 -25.707 -1.09628 TIMING: 2989800 CPU: 9515.46, 0.0031396/step Wall: 9515.46, 0.0031396/step, 1.75312 hours remaining, 234.804688 MB of memory in use. ENERGY: 2989800 4018.7181 20454.9281 14463.2834 251.5884 -203331.7958 2535.2752 0.0000 0.0000 52087.1608 -109520.8418 299.3456 -161608.0026 -109161.3960 299.5422 193.3559 221.6303 759770.6802 3.3426 3.2184 PRESSURE: 2990000 30.5234 105.669 -157.307 105.668 -116.484 -253.234 -157.307 -253.233 228.613 GPRESSURE: 2990000 128.096 112.206 -243.356 21.4518 -167.401 -243.524 -155.332 -204.213 254.563 PRESSAVG: 2990000 12.6313 -36.2671 -1.25285 -36.2671 -26.9769 1.01076 -1.25281 1.01073 -8.02436 GPRESSAVG: 2990000 15.3447 -36.5583 -0.397939 -36.5406 -27.4487 -0.179612 -3.20226 2.05887 -9.59623 TIMING: 2990000 CPU: 9516.09, 0.00314515/step Wall: 9516.09, 0.00314515/step, 1.75604 hours remaining, 234.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2990000 4022.2875 20631.8959 14520.9270 267.8906 -203202.1217 2467.4740 0.0000 0.0000 52086.8181 -109204.8286 299.3437 -161291.6467 -108839.4214 299.9628 47.5510 71.7524 759816.1174 -7.4566 -7.2334 PRESSURE: 2990200 -46.925 -71.5926 -176.3 -71.5929 258.425 7.76539 -176.3 7.76587 17.0067 GPRESSURE: 2990200 -85.2923 -32.7821 -191.104 61.2392 347.034 97.2455 -73.2159 -176.534 45.5688 PRESSAVG: 2990200 5.26785 -69.9191 -90.2873 -69.9192 -17.7026 61.6988 -90.2873 61.6988 5.37003 GPRESSAVG: 2990200 4.14378 -70.0813 -90.9593 -69.2853 -16.7605 62.5884 -89.5577 60.8565 5.20365 TIMING: 2990200 CPU: 9516.72, 0.0031283/step Wall: 9516.72, 0.0031283/step, 1.74646 hours remaining, 234.804688 MB of memory in use. ENERGY: 2990200 3985.3489 20649.7393 14490.8478 252.4515 -203075.1624 2555.7958 0.0000 0.0000 52087.8810 -109053.0980 299.3498 -161140.9791 -108700.7387 300.2974 76.1688 102.4369 761375.7404 -2.3549 -2.4710 PRESSURE: 2990400 47.2628 -168.388 16.8741 -168.387 -79.4799 -59.0614 16.874 -59.0612 -81.3045 GPRESSURE: 2990400 133.326 -32.6577 51.0243 -28.2565 -27.3272 2.32933 96.1317 3.974 -129.94 PRESSAVG: 2990400 31.1627 -13.3195 13.8935 -13.3195 -48.6918 -21.7308 13.8936 -21.7308 -12.2184 GPRESSAVG: 2990400 31.0728 -12.6486 16.8017 -13.4914 -48.2742 -22.6656 14.8689 -20.4353 -11.8506 TIMING: 2990400 CPU: 9517.35, 0.0031458/step Wall: 9517.35, 0.0031458/step, 1.75606 hours remaining, 234.804688 MB of memory in use. ENERGY: 2990400 3987.7265 20632.7552 14444.3797 260.3813 -203166.5680 2543.9271 0.0000 0.0000 52048.7388 -109248.6595 299.1248 -161297.3982 -108894.3939 300.0218 -37.8405 -7.9802 761230.7631 -9.9158 -9.6840 PRESSURE: 2990600 -172.621 50.7595 -68.9607 50.7596 247.937 -42.1303 -68.961 -42.1305 -199.77 GPRESSURE: 2990600 -41.641 -22.3149 -55.5549 47.8265 208.22 -187.421 -13.9955 -135.455 -194.462 PRESSAVG: 2990600 -11.1035 -34.484 7.18465 -34.484 24.0927 -34.7817 7.18471 -34.7816 0.188316 GPRESSAVG: 2990600 -10.1012 -34.6124 6.26365 -35.276 23.6156 -34.0739 6.24801 -38.4719 -0.461812 TIMING: 2990600 CPU: 9517.97, 0.00310649/step Wall: 9517.97, 0.00310649/step, 1.73394 hours remaining, 234.804688 MB of memory in use. ENERGY: 2990600 4124.8864 20433.6258 14432.9754 247.3223 -203392.3667 2642.2090 0.0000 0.0000 52287.1374 -109224.2103 300.4949 -161511.3477 -108862.7108 300.0430 -41.4849 -9.2942 760348.3090 4.3925 4.3508 PRESSURE: 2990800 -478.472 232.054 -34.993 232.054 -71.353 -26.4916 -34.9942 -26.491 -83.8769 GPRESSURE: 2990800 -475.107 282.739 -32.4299 193.527 1.82119 81.9189 33.3352 144.103 -87.5078 PRESSAVG: 2990800 -25.2109 5.80296 -10.3914 5.80297 27.2375 6.49433 -10.3914 6.49424 1.59982 GPRESSAVG: 2990800 -26.4312 6.3262 -12.1367 5.73179 27.6674 5.85307 -9.69016 10.4686 2.09628 TIMING: 2990800 CPU: 9518.6, 0.00313328/step Wall: 9518.6, 0.00313328/step, 1.74872 hours remaining, 234.804688 MB of memory in use. ENERGY: 2990800 4013.9334 20649.9733 14435.9964 258.5492 -202561.5705 1902.7305 0.0000 0.0000 52210.9918 -109089.3958 300.0573 -161300.3876 -108725.9652 299.9276 -211.2341 -186.9310 761237.5337 1.2088 1.1108 PRESSURE: 2991000 178.302 143.674 141.841 143.674 3.18638 150.294 141.841 150.294 84.8473 GPRESSURE: 2991000 118.658 197.611 109.438 52.1915 108.846 53.986 77.0348 118.566 120.983 PRESSAVG: 2991000 21.3722 9.61175 -38.053 9.6118 11.6099 52.0275 -38.053 52.0274 18.0924 GPRESSAVG: 2991000 21.1392 9.3185 -38.1883 9.26534 12.318 53.4396 -39.8043 48.4235 18.0525 TIMING: 2991000 CPU: 9519.22, 0.00314119/step Wall: 9519.22, 0.00314119/step, 1.75296 hours remaining, 234.804688 MB of memory in use. ENERGY: 2991000 3983.8528 20740.8793 14464.2524 242.8623 -202918.9459 2436.1009 0.0000 0.0000 51950.3813 -109100.6170 298.5596 -161050.9983 -108741.4699 300.0316 88.7786 116.1619 761595.3422 17.0248 17.1699 PRESSURE: 2991200 -348.182 83.7456 278.531 83.7459 -127.952 -241.168 278.531 -241.166 17.3446 GPRESSURE: 2991200 -283.212 79.3591 296.244 87.9967 -172.325 -247.136 247.09 -93.4331 85.6105 PRESSAVG: 2991200 9.86286 -29.1229 20.2528 -29.1229 32.4179 6.21921 20.2528 6.21925 -7.19982 GPRESSAVG: 2991200 10.2064 -29.4214 21.8529 -29.2458 32.7868 6.28168 20.473 9.17979 -7.5621 TIMING: 2991200 CPU: 9519.85, 0.00313813/step Wall: 9519.85, 0.00313813/step, 1.75107 hours remaining, 234.804688 MB of memory in use. ENERGY: 2991200 4065.1023 20614.9643 14417.0016 247.7919 -202910.1560 2362.2778 0.0000 0.0000 52228.7602 -108974.2579 300.1594 -161203.0181 -108614.4244 299.9602 -152.9298 -123.3090 761570.8317 11.6936 11.8104 PRESSURE: 2991400 -82.4598 86.3898 -102.431 86.3906 -12.608 -41.0138 -102.431 -41.0129 185.107 GPRESSURE: 2991400 -51.2416 116.961 -53.6862 50.9115 64.9895 -147.807 8.17572 92.4999 150.956 PRESSAVG: 2991400 47.313 21.0328 -1.59566 21.0327 -36.994 -47.6531 -1.59564 -47.6531 -8.80815 GPRESSAVG: 2991400 47.4561 21.1054 -2.62382 19.8696 -37.0048 -49.3684 -1.4965 -47.8906 -8.7679 TIMING: 2991400 CPU: 9520.48, 0.00311751/step Wall: 9520.48, 0.00311751/step, 1.7394 hours remaining, 234.804688 MB of memory in use. ENERGY: 2991400 4009.5240 20626.2796 14420.2058 257.8771 -203055.3415 2226.7380 0.0000 0.0000 52130.5303 -109384.1867 299.5949 -161514.7170 -109019.3837 300.0264 30.0132 54.9013 759484.2928 0.5036 0.5611 PRESSURE: 2991600 -129.486 -106.077 113.944 -106.076 -45.4776 74.0322 113.944 74.0314 -69.5559 GPRESSURE: 2991600 -96.6059 -53.8201 151.306 -138.297 6.67197 15.5884 93.809 89.2087 -84.7534 PRESSAVG: 2991600 41.2766 -21.3251 47.7639 -21.3252 11.8104 6.38117 47.7639 6.38128 5.55546 GPRESSAVG: 2991600 41.1771 -21.4648 49.5605 -17.159 11.4789 4.6466 47.062 6.71324 5.4061 TIMING: 2991600 CPU: 9521.1, 0.00310346/step Wall: 9521.1, 0.00310346/step, 1.73139 hours remaining, 234.804688 MB of memory in use. ENERGY: 2991600 3976.3788 20682.7584 14471.3050 252.5528 -202905.8537 2304.3334 0.0000 0.0000 52055.8233 -109162.7019 299.1655 -161218.5252 -108794.9140 299.8672 -81.5066 -58.2291 760541.6458 19.5475 19.3540 PRESSURE: 2991800 -9.93524 -37.584 110.469 -37.5835 -203.916 21.3221 110.47 21.3217 -73.225 GPRESSURE: 2991800 -65.943 -5.26222 108.034 -71.2526 -147.509 -31.7155 27.767 52.4792 6.43942 PRESSAVG: 2991800 30.8974 -29.7576 80.5987 -29.7577 16.3889 8.21955 80.5987 8.21951 1.61587 GPRESSAVG: 2991800 31.4701 -29.5254 80.4234 -31.1419 14.8225 9.15377 81.4284 8.62289 2.36204 TIMING: 2991800 CPU: 9521.72, 0.00311709/step Wall: 9521.72, 0.00311709/step, 1.73882 hours remaining, 234.804688 MB of memory in use. ENERGY: 2991800 3966.1889 20681.0047 14476.4707 243.0601 -203199.5987 2609.7337 0.0000 0.0000 52099.7050 -109123.4358 299.4177 -161223.1408 -108769.4999 300.1032 -95.6921 -69.0041 759962.2382 16.3007 16.2182 PRESSURE: 2992000 -11.9622 -76.0304 -94.9604 -76.0296 38.3314 -38.5731 -94.9608 -38.5728 473.082 GPRESSURE: 2992000 71.9854 48.364 -116.212 -134.018 23.3112 51.6112 38.042 -82.4052 480.963 PRESSAVG: 2992000 -7.62973 -2.8868 -15.9674 -2.88683 34.231 -76.5826 -15.9674 -76.5826 -9.06645 GPRESSAVG: 2992000 -8.325 -3.57417 -17.1713 -2.98947 35.2591 -74.9465 -17.0638 -78.1261 -9.45495 TIMING: 2992000 CPU: 9522.35, 0.00315763/step Wall: 9522.35, 0.00315763/step, 1.76125 hours remaining, 234.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2992000 3916.6121 20378.5946 14417.1808 242.1614 -203410.4061 2704.7380 0.0000 0.0000 52549.8271 -109201.2922 302.0046 -161751.1193 -108831.7101 300.6961 166.4836 192.0866 759590.6824 5.8449 5.8264 PRESSURE: 2992200 104.448 -206.376 -50.6006 -206.376 -329.344 3.1288 -50.6013 3.128 -115.91 GPRESSURE: 2992200 47.6247 -195.266 -34.8108 -166.58 -196.904 9.47833 -131.721 -50.7453 -132.376 PRESSAVG: 2992200 -26.9353 -64.9994 19.6248 -64.9994 -3.49241 -23.7748 19.6247 -23.7747 -0.509566 GPRESSAVG: 2992200 -25.6655 -65.2497 18.938 -63.8767 -4.3035 -24.3508 20.2179 -25.434 -1.07453 TIMING: 2992200 CPU: 9522.98, 0.00312347/step Wall: 9522.98, 0.00312347/step, 1.74203 hours remaining, 234.804688 MB of memory in use. ENERGY: 2992200 4079.9116 20533.9429 14399.7134 245.6603 -203354.8996 2611.4363 0.0000 0.0000 52220.9414 -109263.2937 300.1145 -161484.2351 -108899.3399 300.0336 -113.6021 -93.8852 761146.7060 -10.3124 -10.3478 LDB: ============= START OF LOAD BALANCING ============== 9535.39 LDB: ============== END OF LOAD BALANCING =============== 9535.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9535.39 LDB: ============= START OF LOAD BALANCING ============== 9535.71 LDB: Largest compute 7075 load 0.034819 is 17.8% of average load 0.195516 LDB: Average compute 0.004379 is 2.2% of average load 0.195516 LDB: TIME 9535.71 LOAD: AVG 0.195516 MAX 0.217651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.008 MB LDB: TIME 9535.71 LOAD: AVG 0.195516 MAX 0.217651 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.008 MB LDB: TIME 9535.71 LOAD: AVG 0.195516 MAX 0.217651 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.008 MB LDB: ============== END OF LOAD BALANCING =============== 9535.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9535.72 PRESSURE: 2992400 -147.996 2.40464 -62.585 2.40441 480.16 -171.805 -62.5844 -171.806 156.075 GPRESSURE: 2992400 -39.7682 65.8555 -27.4232 141.704 470.637 -153.306 24.1756 -104.606 138.877 PRESSAVG: 2992400 -9.25586 -54.5845 -7.27133 -54.5844 22.8782 14.9998 -7.27139 14.9998 -15.1578 GPRESSAVG: 2992400 -8.29597 -55.1899 -7.96941 -55.505 21.9463 15.1649 -5.67796 17.6792 -15.1727 TIMING: 2992400 CPU: 9523.61, 0.0031832/step Wall: 9523.61, 0.0031832/step, 1.77516 hours remaining, 234.003906 MB of memory in use. ENERGY: 2992400 3994.2824 20586.3261 14410.8775 231.4758 -203557.0779 3031.8238 0.0000 0.0000 51976.8389 -109325.4535 298.7116 -161302.2924 -108965.3182 299.8505 162.7466 189.9150 760764.8732 -0.5118 -0.5075 PRESSURE: 2992600 -133.02 -25.9604 135.33 -25.9604 -112.302 78.5177 135.329 78.5181 -198.491 GPRESSURE: 2992600 -80.7364 34.7036 192.246 139.835 -89.6511 125.085 93.4748 35.0386 -183.913 PRESSAVG: 2992600 -48.8106 -7.35013 8.53968 -7.35015 36.5898 -18.9276 8.53968 -18.9276 -4.24568 GPRESSAVG: 2992600 -48.3821 -5.81668 8.3258 -7.09829 37.0757 -18.5454 8.16494 -19.7092 -4.9607 TIMING: 2992600 CPU: 9524.24, 0.00312827/step Wall: 9524.24, 0.00312827/step, 1.74436 hours remaining, 234.207031 MB of memory in use. ENERGY: 2992600 3950.0118 20528.4257 14423.0993 244.6540 -203030.7879 2364.0488 0.0000 0.0000 52178.7691 -109341.7792 299.8721 -161520.5483 -108975.9485 299.2643 -147.9379 -118.1000 761470.1200 -5.4888 -5.4224 PRESSURE: 2992800 -181.655 -143.094 91.8852 -143.094 -68.8901 -39.4079 91.8854 -39.4072 -252.191 GPRESSURE: 2992800 -92.0528 -70.6017 115.811 -64.1732 -110.685 -75.4992 16.1002 -6.55828 -220.279 PRESSAVG: 2992800 25.0397 -34.6883 23.8177 -34.6883 -8.76096 -41.1947 23.8178 -41.1946 4.9939 GPRESSAVG: 2992800 24.949 -34.5005 24.5958 -33.7326 -8.39284 -41.3199 23.7624 -40.9119 5.02815 TIMING: 2992800 CPU: 9524.86, 0.00312599/step Wall: 9524.86, 0.00312599/step, 1.74292 hours remaining, 234.207031 MB of memory in use. ENERGY: 2992800 4012.7757 20600.5068 14317.3499 220.6197 -203164.8754 2562.0063 0.0000 0.0000 52059.6684 -109391.9485 299.1876 -161451.6169 -109031.2542 299.2450 -167.5789 -141.0056 762363.3984 7.0909 7.1948 PRESSURE: 2993000 1.06308 -39.6749 -165.93 -39.6754 -162.465 144.018 -165.929 144.017 71.135 GPRESSURE: 2993000 132.703 4.40458 -248.459 -63.2657 -195.758 52.8041 -41.3084 106.887 63.2826 PRESSAVG: 2993000 32.1099 5.42422 9.22397 5.42421 -45.5476 -2.93504 9.22393 -2.93505 9.67556 GPRESSAVG: 2993000 30.3707 4.23446 9.30373 4.5814 -44.7067 -3.14301 8.34236 -3.48023 10.9358 TIMING: 2993000 CPU: 9525.49, 0.00312076/step Wall: 9525.49, 0.00312075/step, 1.73982 hours remaining, 234.207031 MB of memory in use. ENERGY: 2993000 3951.8515 20307.0386 14446.2491 242.0572 -203168.9204 2339.5441 0.0000 0.0000 52325.5131 -109556.6667 300.7154 -161882.1798 -109184.2323 299.1245 -30.0891 0.0761 761226.4890 -1.2541 -1.1334 PRESSURE: 2993200 129.249 -229.137 -12.9169 -229.137 -113.901 -2.67627 -12.9182 -2.67708 590.208 GPRESSURE: 2993200 165.171 -307.992 3.80868 -211.583 23.8099 19.411 -109.231 -10.5632 515.844 PRESSAVG: 2993200 92.1732 18.9713 2.05184 18.9713 -46.9647 6.1151 2.05182 6.11498 15.1381 GPRESSAVG: 2993200 93.666 18.5606 3.04104 18.5571 -46.8679 6.51531 3.37198 4.38015 13.5451 TIMING: 2993200 CPU: 9526.11, 0.00311829/step Wall: 9526.11, 0.00311829/step, 1.73827 hours remaining, 234.207031 MB of memory in use. ENERGY: 2993200 3911.9635 20496.0061 14406.1077 252.0990 -203348.5323 2694.8917 0.0000 0.0000 52045.6290 -109541.8353 299.1069 -161587.4644 -109170.2388 298.9971 201.8522 234.9418 761244.5846 20.1155 20.1144 PRESSURE: 2993400 -73.7111 43.8424 49.3992 43.8423 -77.6714 -72.4889 49.4001 -72.4887 21.5509 GPRESSURE: 2993400 -88.7505 48.2105 50.5682 128.174 23.2986 64.482 70.5789 -128.708 23.1732 PRESSAVG: 2993400 46.9037 -8.8362 22.156 -8.83621 -98.6721 -19.4996 22.156 -19.4996 -8.68729 GPRESSAVG: 2993400 46.7232 -9.26626 20.2093 -7.87569 -99.3598 -18.3619 22.3178 -18.9013 -7.94133 TIMING: 2993400 CPU: 9526.73, 0.00311159/step Wall: 9526.73, 0.00311159/step, 1.73436 hours remaining, 234.207031 MB of memory in use. ENERGY: 2993400 3987.2351 20420.1236 14409.2813 239.0417 -203318.6742 2692.6195 0.0000 0.0000 52017.5809 -109552.7921 298.9458 -161570.3730 -109190.3167 298.8065 -43.2772 -14.0929 762853.4243 -20.1519 -20.1927 PRESSURE: 2993600 -306.872 -200.737 165.284 -200.738 -247.091 94.0954 165.284 94.0963 191.051 GPRESSURE: 2993600 -227.335 -130.541 106.159 -148.052 -178.664 75.7339 221.745 57.7544 141.034 PRESSAVG: 2993600 55.4482 54.8967 11.6673 54.8966 -40.1221 50.5187 11.6673 50.5187 13.3166 GPRESSAVG: 2993600 55.1494 55.47 12.3227 52.9152 -39.8318 49.159 10.3716 50.9441 13.6138 TIMING: 2993600 CPU: 9527.36, 0.0031085/step Wall: 9527.36, 0.0031085/step, 1.73247 hours remaining, 234.207031 MB of memory in use. ENERGY: 2993600 4057.1377 20595.3366 14471.4475 253.2817 -203603.4208 2770.7409 0.0000 0.0000 52042.4006 -109413.0758 299.0884 -161455.4764 -109054.0554 298.7583 -120.9706 -88.3217 760856.7881 9.5476 9.6438 PRESSURE: 2993800 24.211 85.2019 -103.813 85.2007 156 126.713 -103.814 126.713 155.4 GPRESSURE: 2993800 157.386 151.833 -127.382 47.7555 159.485 100.065 -104.777 127.247 94.0099 PRESSAVG: 2993800 69.5667 -6.33285 -21.5959 -6.33283 -16.5525 48.0909 -21.5958 48.091 38.9538 GPRESSAVG: 2993800 69.2607 -4.73635 -22.2317 -6.29766 -16.1964 46.6616 -23.469 45.939 38.756 TIMING: 2993800 CPU: 9527.98, 0.00309989/step Wall: 9527.98, 0.00309989/step, 1.7275 hours remaining, 234.207031 MB of memory in use. ENERGY: 2993800 3957.8038 20487.2763 14512.9294 248.7393 -203608.3298 2697.3334 0.0000 0.0000 52521.9920 -109182.2557 301.8446 -161704.2477 -108812.4294 299.4498 111.8701 136.9602 761486.4961 30.6560 30.6067 PRESSURE: 2994000 -319.92 20.2364 -302.577 20.2372 8.17649 -43.1191 -302.577 -43.119 -1.48046 GPRESSURE: 2994000 -311.567 -58.3747 -320.515 61.848 102.247 -27.96 -257.304 -94.4017 -22.9638 PRESSAVG: 2994000 16.1148 -21.5971 -89.4338 -21.597 -33.9787 -4.02658 -89.4338 -4.02657 -2.22904 GPRESSAVG: 2994000 16.4439 -23.5751 -87.3825 -20.8225 -33.7812 -3.72088 -88.644 -1.75792 -2.60731 TIMING: 2994000 CPU: 9528.59, 0.00309344/step Wall: 9528.59, 0.00309344/step, 1.72374 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2994000 4025.7072 20548.0725 14431.6559 254.7549 -203495.4723 2753.6925 0.0000 0.0000 52210.1146 -109271.4746 300.0522 -161481.5893 -108913.1967 299.8162 -104.4079 -77.4279 760548.1225 -6.6976 -6.6482 PRESSURE: 2994200 -438.489 -19.7428 -15.802 -19.7424 -166.993 272.983 -15.802 272.983 -383.14 GPRESSURE: 2994200 -358.412 84.4412 -41.801 -16.0629 -173.404 318.953 3.71144 260.219 -360.877 PRESSAVG: 2994200 43.3655 27.0151 -41.1651 27.015 -1.8818 11.5608 -41.1651 11.5608 -10.7017 GPRESSAVG: 2994200 42.8447 28.6459 -42.0312 28.0178 -2.40125 12.3817 -37.3811 13.6964 -9.33585 TIMING: 2994200 CPU: 9529.22, 0.00311131/step Wall: 9529.22, 0.00311131/step, 1.73352 hours remaining, 234.207031 MB of memory in use. ENERGY: 2994200 4071.5032 20491.4292 14472.1977 241.7146 -202807.0495 2260.0017 0.0000 0.0000 52106.2169 -109163.9860 299.4551 -161270.2029 -108801.7107 300.2648 -329.5409 -297.5644 761813.1422 10.2606 10.3692 PRESSURE: 2994400 -133.161 50.9878 258.993 50.9878 -437.405 -72.5298 258.993 -72.5301 -19.9148 GPRESSURE: 2994400 -135.845 123.381 351.845 71.2843 -308.584 -43.0169 151.925 -151.415 -55.0418 PRESSAVG: 2994400 25.7135 8.10518 8.60612 8.10518 -73.7182 -25.1947 8.60615 -25.1947 -8.29703 GPRESSAVG: 2994400 26.766 7.24238 8.63399 8.22551 -73.2556 -26.6985 5.42493 -26.5412 -9.57166 TIMING: 2994400 CPU: 9529.84, 0.00310313/step Wall: 9529.84, 0.00310313/step, 1.72879 hours remaining, 234.207031 MB of memory in use. ENERGY: 2994400 3927.6203 20596.5163 14436.3183 239.8568 -203066.5948 2423.6655 0.0000 0.0000 52228.2657 -109214.3518 300.1566 -161442.6176 -108848.9830 299.0378 -196.8268 -166.4903 762757.3475 -18.7673 -18.6871 PRESSURE: 2994600 160.683 75.5942 39.8512 75.5939 106.824 -13.5056 39.8512 -13.5047 18.741 GPRESSURE: 2994600 212.711 114.296 5.60325 1.802 40.3446 8.84115 109.107 76.5887 110.661 PRESSAVG: 2994600 26.9386 0.541882 51.2154 0.541873 -37.1245 3.11226 51.2155 3.11225 -3.0932 GPRESSAVG: 2994600 26.1714 0.918001 52.7647 0.29232 -37.7897 4.60241 52.1068 2.52867 -1.54069 TIMING: 2994600 CPU: 9530.46, 0.00312701/step Wall: 9530.46, 0.00312701/step, 1.74192 hours remaining, 234.207031 MB of memory in use. ENERGY: 2994600 3960.9515 20562.6331 14425.9683 270.4551 -203235.0948 2558.7687 0.0000 0.0000 52168.8049 -109287.5131 299.8148 -161456.3180 -108918.9836 299.8775 95.4162 121.2391 761414.0690 -4.4264 -4.3863 PRESSURE: 2994800 -12.9456 -69.9135 -36.466 -69.9129 6.09166 -11.0144 -36.4659 -11.0158 -155.808 GPRESSURE: 2994800 0.255171 -124.597 -25.1686 -88.6046 119.438 29.6182 -25.8216 -69.9189 -208.17 PRESSAVG: 2994800 -18.4351 -15.972 25.7604 -15.972 -14.5802 -57.0142 25.7603 -57.0142 12.0872 GPRESSAVG: 2994800 -18.5539 -16.328 23.9869 -17.7576 -14.2214 -57.5799 25.4323 -56.6449 11.4407 TIMING: 2994800 CPU: 9531.09, 0.00314652/step Wall: 9531.09, 0.00314652/step, 1.75261 hours remaining, 234.207031 MB of memory in use. ENERGY: 2994800 3997.6115 20569.3001 14493.9758 241.2458 -203492.8872 2635.9556 0.0000 0.0000 52025.3807 -109529.4177 298.9906 -161554.7984 -109172.6071 299.5045 -54.2207 -29.4923 759945.4419 -6.9760 -7.1115 PRESSURE: 2995000 251.929 77.7498 83.5236 77.7504 32.2576 -45.7735 83.5239 -45.7734 -29.5529 GPRESSURE: 2995000 343.758 97.0935 70.9818 138.544 -81.8566 5.24321 30.4268 110.773 80.347 PRESSAVG: 2995000 11.3909 -6.63596 -25.2741 -6.63591 -43.6619 26.6683 -25.274 26.6683 4.97954 GPRESSAVG: 2995000 12.4416 -5.07935 -25.5943 -5.09457 -44.5545 28.1944 -25.2762 26.0515 5.09461 TIMING: 2995000 CPU: 9531.72, 0.00314398/step Wall: 9531.72, 0.00314398/step, 1.75102 hours remaining, 234.207031 MB of memory in use. ENERGY: 2995000 4026.6035 20609.1327 14384.7815 254.4791 -203553.6560 2713.5566 0.0000 0.0000 51973.8716 -109591.2310 298.6946 -161565.1026 -109239.0297 299.1724 84.8779 114.0830 760108.3201 -9.0971 -9.0061 PRESSURE: 2995200 -260.128 82.6259 6.57305 82.6257 27.2229 168.43 6.57279 168.431 -442.968 GPRESSURE: 2995200 -265.93 94.3459 -39.9389 14.6304 31.8304 194.695 -47.6268 83.8244 -364.939 PRESSAVG: 2995200 3.25415 -1.31688 25.3676 -1.31683 18.0177 48.3474 25.3676 48.3474 -28.1079 GPRESSAVG: 2995200 2.52473 -3.2475 24.8828 -1.52371 18.3693 47.5111 24.062 46.8542 -27.7931 TIMING: 2995200 CPU: 9532.34, 0.00311721/step Wall: 9532.34, 0.00311721/step, 1.73594 hours remaining, 234.207031 MB of memory in use. ENERGY: 2995200 4030.1353 20419.4434 14462.3041 254.1108 -203258.9740 2253.5654 0.0000 0.0000 52206.0432 -109633.3718 300.0288 -161839.4150 -109273.9250 299.0710 -225.2911 -199.6793 761566.2076 -2.2787 -2.2997 PRESSURE: 2995400 -178.401 -52.7087 -135.007 -52.7079 -399.905 -62.8167 -135.009 -62.8174 -488.318 GPRESSURE: 2995400 -78.9551 -76.4467 -171.342 -114.791 -361.909 -24.507 -38.6217 -52.7303 -531.636 PRESSAVG: 2995400 10.6207 30.0674 -3.60786 30.0675 17.3455 -19.2296 -3.6079 -19.2295 0.457805 GPRESSAVG: 2995400 11.3044 29.0066 -2.63842 31.0383 17.6109 -18.6163 -3.07838 -21.1518 -0.808604 TIMING: 2995400 CPU: 9532.97, 0.00312484/step Wall: 9532.97, 0.00312484/step, 1.74001 hours remaining, 234.207031 MB of memory in use. ENERGY: 2995400 4040.5434 20374.6664 14584.2094 243.7957 -203109.1527 2429.9669 0.0000 0.0000 52042.5375 -109393.4333 299.0892 -161435.9709 -109032.8635 298.9692 -355.5414 -324.1665 761941.7343 9.4746 9.3689 PRESSURE: 2995600 -43.6807 -48.2805 160.168 -48.2817 -207.239 -100.551 160.169 -100.55 24.4468 GPRESSURE: 2995600 38.1354 35.0565 77.5024 -10.3431 -241.391 -20.93 136.325 43.5621 64.6806 PRESSAVG: 2995600 36.6068 8.45726 -12.5544 8.45727 4.73871 32.2109 -12.5544 32.2109 -16.6835 GPRESSAVG: 2995600 37.4137 11.4542 -13.5569 7.42374 5.32795 32.1663 -11.8748 35.0991 -18.0107 TIMING: 2995600 CPU: 9533.6, 0.00313601/step Wall: 9533.6, 0.00313601/step, 1.74606 hours remaining, 234.207031 MB of memory in use. ENERGY: 2995600 4069.8875 20574.7911 14468.1436 221.8715 -203919.7935 2947.4240 0.0000 0.0000 52157.6966 -109479.9791 299.7510 -161637.6757 -109128.0718 299.2485 -75.4910 -46.1917 761149.6191 8.2207 8.2437 PRESSURE: 2995800 455.948 13.9341 -411.298 13.9333 -33.4523 -9.59233 -411.298 -9.5925 288.899 GPRESSURE: 2995800 479.161 35.9997 -409.338 58.4918 19.8971 -7.06286 -241.067 -136.542 292.666 PRESSAVG: 2995800 -19.6951 19.2771 -43.3056 19.2771 -18.9738 -31.4465 -43.3056 -31.4465 6.4614 GPRESSAVG: 2995800 -20.9133 17.6389 -42.1433 20.2526 -18.6746 -32.8849 -43.8236 -33.5859 7.03896 TIMING: 2995800 CPU: 9534.22, 0.003124/step Wall: 9534.22, 0.003124/step, 1.7392 hours remaining, 234.207031 MB of memory in use. ENERGY: 2995800 4030.9904 20468.7206 14569.3343 253.4138 -203377.8458 2696.5764 0.0000 0.0000 52049.2197 -109309.5906 299.1276 -161358.8103 -108945.3281 299.3993 237.1313 263.9079 761850.3504 -10.7358 -10.8497 PRESSURE: 2996000 -34.3712 204.912 -9.81243 204.912 247.761 -287.078 -9.81255 -287.079 174.877 GPRESSURE: 2996000 53.2615 145.319 -10.8773 160.929 241.212 -216.55 -57.8238 -150.508 169.056 PRESSAVG: 2996000 -44.8636 -2.5875 -22.0779 -2.58743 16.8087 -14.297 -22.078 -14.2969 6.33101 GPRESSAVG: 2996000 -43.8603 -0.988384 -23.073 -4.07569 16.0811 -14.0392 -20.7041 -13.3542 6.68661 TIMING: 2996000 CPU: 9534.85, 0.00313553/step Wall: 9534.85, 0.00313553/step, 1.74545 hours remaining, 234.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2996000 4093.0040 20507.9112 14450.4179 264.6984 -203205.9137 2671.7709 0.0000 0.0000 52216.0956 -109002.0157 300.0866 -161218.1114 -108652.0763 300.0958 129.4225 154.5099 761232.2614 -7.2413 -7.0309 PRESSURE: 2996200 -42.3967 -99.936 69.2653 -99.9364 -145.626 -199.071 69.2653 -199.071 -186.931 GPRESSURE: 2996200 -5.545 -32.2637 62.2188 -167.831 -76.8162 -242.197 46.1944 -231.449 -182.903 PRESSAVG: 2996200 53.7831 -91.9534 -0.8039 -91.9534 -27.0756 51.3214 -0.803883 51.3215 -11.2563 GPRESSAVG: 2996200 53.1604 -92.7928 0.352341 -90.2052 -26.4201 50.9484 -2.45466 51.8454 -10.4804 TIMING: 2996200 CPU: 9535.47, 0.00312992/step Wall: 9535.47, 0.00312992/step, 1.74215 hours remaining, 234.207031 MB of memory in use. ENERGY: 2996200 4045.9418 20470.7396 14384.1638 262.0563 -203337.3427 2611.7948 0.0000 0.0000 52442.5930 -109120.0534 301.3883 -161562.6464 -108744.7031 300.2070 -124.9846 -88.4215 760667.1607 5.1504 5.4199 LDB: ============= START OF LOAD BALANCING ============== 9547.89 LDB: ============== END OF LOAD BALANCING =============== 9547.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9547.89 LDB: ============= START OF LOAD BALANCING ============== 9548.2 LDB: Largest compute 7025 load 0.032499 is 16.6% of average load 0.195558 LDB: Average compute 0.004404 is 2.3% of average load 0.195558 LDB: TIME 9548.21 LOAD: AVG 0.195558 MAX 0.217329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.082 MB LDB: TIME 9548.21 LOAD: AVG 0.195558 MAX 0.217329 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: TIME 9548.21 LOAD: AVG 0.195558 MAX 0.217329 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.082 MB LDB: ============== END OF LOAD BALANCING =============== 9548.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9548.21 PRESSURE: 2996400 -389.646 22.3448 -62.4964 22.3447 -135.227 29.4171 -62.4968 29.4176 -300.366 GPRESSURE: 2996400 -259.944 22.3645 15.5456 -5.99091 -164.292 89.8447 -63.8806 82.1563 -317.539 PRESSAVG: 2996400 55.8781 -8.72584 -42.1556 -8.72586 -23.1393 -15.0464 -42.1556 -15.0465 -4.95986 GPRESSAVG: 2996400 56.6666 -8.08665 -42.4872 -8.88381 -23.9332 -13.9219 -41.8058 -17.3972 -5.06689 TIMING: 2996400 CPU: 9536.11, 0.003174/step Wall: 9536.11, 0.003174/step, 1.76651 hours remaining, 235.679688 MB of memory in use. ENERGY: 2996400 4047.5905 20558.3089 14426.9200 252.5750 -203415.3208 2607.8218 0.0000 0.0000 52328.0373 -109194.0673 300.7299 -161522.1046 -108829.9199 300.1798 -275.0798 -247.2582 761117.1310 9.2596 9.2222 PRESSURE: 2996600 89.3208 82.1956 -89.7992 82.1956 124.083 -15.907 -89.7987 -15.9073 252.959 GPRESSURE: 2996600 78.1497 50.2173 -87.6035 5.71337 185.37 -18.8624 -30.6606 -48.5858 291.129 PRESSAVG: 2996600 27.7971 19.5749 -18.8785 19.575 -19.7516 -32.0607 -18.8785 -32.0607 0.0816298 GPRESSAVG: 2996600 28.4175 19.3246 -17.86 18.1255 -19.034 -32.8692 -20.4085 -30.0578 -1.01335 TIMING: 2996600 CPU: 9536.73, 0.00311744/step Wall: 9536.73, 0.00311745/step, 1.73486 hours remaining, 235.679688 MB of memory in use. ENERGY: 2996600 3970.0547 20700.9987 14376.3085 250.6962 -203536.5907 2770.2615 0.0000 0.0000 52119.0440 -109349.2270 299.5289 -161468.2711 -108991.8769 300.4074 155.4543 184.8828 759188.4745 2.7091 2.7900 PRESSURE: 2996800 150.797 111.442 94.4764 111.441 64.8005 59.4399 94.4762 59.4412 -204.006 GPRESSURE: 2996800 230.436 -38.3464 89.7785 123.085 122.609 40.1171 48.1196 -158.167 -249.797 PRESSAVG: 2996800 -1.84671 17.0796 -10.0358 17.0795 21.5212 51.7387 -10.0357 51.7387 18.5808 GPRESSAVG: 2996800 -3.10818 16.4078 -11.4906 17.3945 21.8734 52.6299 -8.19546 51.3403 19.2728 TIMING: 2996800 CPU: 9537.36, 0.00312175/step Wall: 9537.36, 0.00312175/step, 1.73708 hours remaining, 235.804688 MB of memory in use. ENERGY: 2996800 4012.6172 20555.4896 14368.6915 260.8392 -203352.2234 2756.4502 0.0000 0.0000 51995.4374 -109402.6983 298.8185 -161398.1357 -109042.5528 299.7111 3.8639 34.4162 759959.4238 12.7518 12.6794 PRESSURE: 2997000 79.0802 -7.39601 120.394 -7.39582 177.171 -58.2252 120.395 -58.2248 -206.004 GPRESSURE: 2997000 225.724 -104.426 48.099 31.4161 92.9714 -40.3389 156.707 -80 -174.026 PRESSAVG: 2997000 37.5382 -33.0714 13.0299 -33.0713 -3.16637 -37.5194 13.0299 -37.5195 42.5352 GPRESSAVG: 2997000 39.0516 -31.2698 15.1802 -33.9729 -4.40774 -38.9349 11.5918 -37.7412 41.6949 TIMING: 2997000 CPU: 9537.98, 0.00310435/step Wall: 9537.98, 0.00310435/step, 1.72722 hours remaining, 236.015625 MB of memory in use. ENERGY: 2997000 4144.3499 20594.0709 14429.6438 231.4047 -203636.5875 2756.7088 0.0000 0.0000 52114.7091 -109365.7004 299.5039 -161480.4095 -108996.1008 299.5934 16.7491 48.2229 761150.9835 25.6357 25.4462 PRESSURE: 2997200 87.5556 134.056 -109.301 134.056 -285.021 30.8673 -109.3 30.867 166.899 GPRESSURE: 2997200 30.5398 -71.4053 -102.608 199.919 -154.587 131.648 -58.0198 -36.4868 213.172 PRESSAVG: 2997200 24.1997 -15.6558 26.7556 -15.6558 -12.3636 -12.4177 26.7556 -12.4177 10.1299 GPRESSAVG: 2997200 22.5537 -16.4642 25.3329 -16.5661 -11.2834 -10.0741 26.0394 -12.4563 10.9778 TIMING: 2997200 CPU: 9538.6, 0.00311984/step Wall: 9538.6, 0.00311984/step, 1.73567 hours remaining, 236.218750 MB of memory in use. ENERGY: 2997200 4049.7680 20460.6303 14498.9519 238.9622 -203348.4478 2547.3503 0.0000 0.0000 52234.9422 -109317.8430 300.1949 -161552.7852 -108950.0164 299.8661 -10.1887 29.7081 760264.9351 7.3220 7.4160 PRESSURE: 2997400 47.7233 160.067 209.143 160.067 58.5438 95.8679 209.144 95.8679 -186.625 GPRESSURE: 2997400 124.402 103.922 234.835 98.2956 69.5032 100.119 245.466 131.242 -207.529 PRESSAVG: 2997400 -3.4889 10.325 18.0078 10.325 -24.5695 -26.6592 18.0078 -26.6593 1.58378 GPRESSAVG: 2997400 -2.90758 7.71225 18.2926 12.2891 -24.5865 -26.2104 16.5043 -27.7508 0.428074 TIMING: 2997400 CPU: 9539.23, 0.00312861/step Wall: 9539.23, 0.00312861/step, 1.74037 hours remaining, 236.218750 MB of memory in use. ENERGY: 2997400 4013.8636 20609.2859 14477.1790 231.6938 -203080.6950 2463.7306 0.0000 0.0000 52148.9074 -109136.0346 299.7005 -161284.9420 -108776.8823 299.9534 -26.7858 -4.5414 760548.0318 -8.8249 -9.0220 PRESSURE: 2997600 -274.027 10.5768 -37.3702 10.5769 47.8536 168.998 -37.3696 169 -142.384 GPRESSURE: 2997600 -280.109 -238.087 34.7282 16.8699 48.0449 111.041 -50.6114 193.84 -51.3916 PRESSAVG: 2997600 -12.1347 -34.9798 0.97015 -34.9797 1.78204 -8.3823 0.970152 -8.38232 -34.7191 GPRESSAVG: 2997600 -11.5927 -33.9017 -1.62148 -35.8346 0.949001 -10.5133 5.75562 -7.47895 -34.1552 TIMING: 2997600 CPU: 9539.85, 0.00311098/step Wall: 9539.85, 0.00311098/step, 1.7304 hours remaining, 236.218750 MB of memory in use. ENERGY: 2997600 3981.1665 20688.2182 14439.8772 255.2193 -203005.6947 2225.6352 0.0000 0.0000 52248.2124 -109167.3659 300.2712 -161415.5783 -108805.7738 299.9702 -122.8524 -94.4853 761180.7724 -15.0239 -14.9330 PRESSURE: 2997800 31.061 -76.825 207.307 -76.8245 -134.14 -71.7074 207.308 -71.7064 54.1591 GPRESSURE: 2997800 105.07 -45.0255 91.6192 -62.9376 -88.6057 -30.8745 197.903 -34.8571 28.8306 PRESSAVG: 2997800 69.6208 -28.0449 2.09479 -28.0449 -52.0627 38.1174 2.09483 38.1174 7.13786 GPRESSAVG: 2997800 68.4593 -27.7577 2.48902 -26.3881 -50.8685 40.0075 0.208804 37.3594 7.41438 TIMING: 2997800 CPU: 9540.47, 0.00311733/step Wall: 9540.47, 0.00311733/step, 1.73375 hours remaining, 236.218750 MB of memory in use. ENERGY: 2997800 4013.4484 20531.2312 14357.0108 229.6335 -203000.2511 2226.1657 0.0000 0.0000 52433.4759 -109209.2857 301.3359 -161642.7615 -108844.9797 300.1082 -16.3066 15.0982 759696.3348 8.2320 8.3350 PRESSURE: 2998000 -385.762 -46.847 -85.4475 -46.8484 -217.259 -49.8955 -85.4469 -49.8953 -103.959 GPRESSURE: 2998000 -366.188 38.8216 -128.101 23.8721 -174.447 -116.415 -30.3461 -21.3635 -60.9554 PRESSAVG: 2998000 8.71597 -31.0991 0.120856 -31.0991 10.6617 5.82247 0.120901 5.82243 0.181387 GPRESSAVG: 2998000 9.13648 -30.8076 0.566298 -34.3584 10.9625 3.61415 0.187182 7.74864 -0.757975 TIMING: 2998000 CPU: 9541.09, 0.00311034/step Wall: 9541.09, 0.00311034/step, 1.72969 hours remaining, 236.218750 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: 2998000 4040.9814 20618.6463 14398.7920 234.0384 -202811.5981 2408.7351 0.0000 0.0000 51831.1704 -109279.2344 297.8744 -161110.4049 -108929.1985 299.9499 -235.6599 -200.5301 759855.5158 6.5197 6.4470 PRESSURE: 2998200 120.611 106.9 -67.5337 106.9 238.863 -64.7974 -67.5327 -64.7971 61.051 GPRESSURE: 2998200 221.867 112.698 -132.227 166.053 149.936 -6.36053 -4.61571 -185.687 134.251 PRESSAVG: 2998200 -19.2732 -99.7739 33.6886 -99.774 10.5647 -30.8924 33.6886 -30.8924 -14.1264 GPRESSAVG: 2998200 -19.6903 -98.8965 35.0589 -96.6003 10.1578 -28.6589 34.2867 -33.9621 -13.3642 TIMING: 2998200 CPU: 9541.72, 0.00312276/step Wall: 9541.72, 0.00312276/step, 1.73643 hours remaining, 236.218750 MB of memory in use. ENERGY: 2998200 3975.9362 20576.9232 14534.2910 234.7530 -203402.3107 2729.1159 0.0000 0.0000 52198.8387 -109152.4527 299.9874 -161351.2915 -108793.8636 299.4688 140.1752 168.6848 760677.5461 -7.6116 -7.6322 PRESSURE: 2998400 -125.65 -88.9631 167.875 -88.9627 -242.956 22.9432 167.875 22.9426 194.952 GPRESSURE: 2998400 -81.7687 -105.966 82.8408 -129.324 -120.35 30.71 97.8807 84.459 114.918 PRESSAVG: 2998400 45.3954 -19.7979 -5.88041 -19.798 -38.6719 -23.6292 -5.8804 -23.6291 23.4371 GPRESSAVG: 2998400 45.4293 -20.3437 -7.54642 -23.193 -37.2334 -24.6087 -6.15678 -22.3254 22.0293 TIMING: 2998400 CPU: 9542.34, 0.00312449/step Wall: 9542.34, 0.00312449/step, 1.73722 hours remaining, 236.289062 MB of memory in use. ENERGY: 2998400 3963.2891 20374.0825 14436.2854 258.4316 -203205.5851 2727.2525 0.0000 0.0000 52303.9898 -109142.2541 300.5917 -161446.2439 -108765.0453 299.7187 -57.8845 -29.0672 761147.0362 10.0535 10.0751 PRESSURE: 2998600 23.9185 -204.831 -6.26687 -204.831 12.7226 -34.7065 -6.26753 -34.7061 62.7731 GPRESSURE: 2998600 33.2405 -266.71 -67.4207 -81.2908 130.032 -41.881 82.0537 -85.1223 23.2551 PRESSAVG: 2998600 -12.2341 -57.6603 -52.2626 -57.6603 -6.29603 -35.2479 -52.2626 -35.2478 -29.2469 GPRESSAVG: 2998600 -11.9553 -59.0458 -52.312 -54.3095 -6.88647 -35.21 -51.8386 -34.2562 -28.3679 TIMING: 2998600 CPU: 9542.97, 0.00313665/step Wall: 9542.97, 0.00313665/step, 1.74381 hours remaining, 236.289062 MB of memory in use. ENERGY: 2998600 4017.0552 20558.8498 14516.8974 257.3957 -203597.0815 2881.3453 0.0000 0.0000 52286.4781 -109079.0598 300.4911 -161365.5379 -108714.5976 300.2691 33.1381 62.1759 760511.3491 -15.9257 -15.7366 PRESSURE: 2998800 -46.9029 -58.0506 -177.831 -58.0509 142.162 29.0372 -177.831 29.0379 -24.9962 GPRESSURE: 2998800 -39.6398 -70.3324 -137.664 -50.7679 178.622 17.4906 -193.583 -48.6836 22.7854 PRESSAVG: 2998800 16.0607 -89.3927 1.9876 -89.3927 8.73531 -28.9529 1.98751 -28.9529 -3.03371 GPRESSAVG: 2998800 15.858 -88.2695 2.4681 -89.7789 9.79457 -29.0166 1.21082 -28.6463 -3.47839 TIMING: 2998800 CPU: 9543.6, 0.0031199/step Wall: 9543.6, 0.0031199/step, 1.73432 hours remaining, 236.289062 MB of memory in use. ENERGY: 2998800 4046.1593 20465.7231 14462.6823 264.6008 -203436.7271 2699.0389 0.0000 0.0000 52382.5086 -109116.0141 301.0430 -161498.5227 -108755.5821 300.6694 23.4210 53.9225 761482.7897 7.2541 7.3914 PRESSURE: 2999000 -115.104 -5.92883 -213.486 -5.92908 -62.116 284.554 -213.484 284.555 -114.293 GPRESSURE: 2999000 -45.9931 -98.091 -168.137 12.9494 -49.1308 180.829 -264.185 370.567 -117.152 PRESSAVG: 2999000 -41.9591 -35.486 -72.944 -35.486 20.0892 43.4466 -72.944 43.4466 -10.5984 GPRESSAVG: 2999000 -42.1261 -36.6944 -71.7963 -35.801 18.9409 43.3031 -73.7528 43.1337 -9.16873 TIMING: 2999000 CPU: 9544.22, 0.00313297/step Wall: 9544.22, 0.00313297/step, 1.74141 hours remaining, 236.289062 MB of memory in use. ENERGY: 2999000 4075.3214 20591.8416 14484.5929 246.2768 -203470.2635 2588.3048 0.0000 0.0000 52249.3862 -109234.5398 300.2779 -161483.9260 -108871.0831 299.5145 -97.1708 -70.7587 760813.9260 -10.8228 -10.7846 PRESSURE: 2999200 -124.601 35.7017 71.7702 35.7022 -174.851 -62.7889 71.7698 -62.7892 255.429 GPRESSURE: 2999200 -174.72 -20.0713 -15.2277 77.8306 -40.2761 -120.872 136.508 6.52435 249.928 PRESSAVG: 2999200 -33.0058 -25.0975 -36.1652 -25.0975 65.1449 -2.41795 -36.1652 -2.41797 -8.71795 GPRESSAVG: 2999200 -31.7724 -23.5037 -36.7047 -24.3083 64.3139 -3.42531 -35.9253 -2.53323 -9.3702 TIMING: 2999200 CPU: 9544.85, 0.00311717/step Wall: 9544.85, 0.00311717/step, 1.73246 hours remaining, 236.289062 MB of memory in use. ENERGY: 2999200 4032.7812 20595.0208 14478.9723 232.0406 -203255.7115 2512.2173 0.0000 0.0000 52102.0829 -109302.5964 299.4314 -161404.6793 -108941.0136 299.7839 -14.6741 11.6441 760900.0712 7.8070 7.7238 PRESSURE: 2999400 56.5683 102.963 25.7112 102.963 86.1495 -155.408 25.7108 -155.407 -258.172 GPRESSURE: 2999400 86.2683 -47.4132 -46.4369 91.1737 137.384 -174.695 -25.6457 -115.044 -248.62 PRESSAVG: 2999400 -16.3524 -30.9032 -31.9433 -30.9033 40.3381 -33.4431 -31.9433 -33.4431 9.056 GPRESSAVG: 2999400 -16.4975 -29.2778 -32.4243 -32.7817 40.7087 -33.6411 -31.5763 -32.8238 9.28564 TIMING: 2999400 CPU: 9545.47, 0.00311305/step Wall: 9545.47, 0.00311306/step, 1.72999 hours remaining, 236.289062 MB of memory in use. ENERGY: 2999400 4028.7637 20544.7152 14532.7751 253.4430 -203332.3646 2321.6223 0.0000 0.0000 52112.5559 -109538.4894 299.4916 -161651.0453 -109176.7132 299.7603 -38.4849 -8.3223 760224.0689 11.0139 11.1656 PRESSURE: 2999600 -30.1431 -199.488 37.7432 -199.487 -112.761 -253.741 37.7435 -253.741 87.0905 GPRESSURE: 2999600 -37.4251 -171.422 28.8178 -118.662 16.8368 -282.282 73.7949 -235.997 21.2754 PRESSAVG: 2999600 22.5795 -9.94214 -21.7784 -9.94218 -20.8436 22.8333 -21.7784 22.8332 -15.8016 GPRESSAVG: 2999600 20.9451 -11.4085 -21.9563 -8.6346 -20.0675 23.2528 -21.6573 21.9379 -15.1208 TIMING: 2999600 CPU: 9546.09, 0.00312124/step Wall: 9546.09, 0.00312124/step, 1.73437 hours remaining, 236.289062 MB of memory in use. ENERGY: 2999600 4010.8405 20568.5042 14518.1425 251.4679 -203451.7901 2456.3047 0.0000 0.0000 52056.7207 -109589.8097 299.1707 -161646.5304 -109223.0304 299.2286 -18.6046 0.2290 760167.3292 -4.6886 -4.7477 PRESSURE: 2999800 -148.471 -79.2844 87.7951 -79.2839 41.7193 142.145 87.7946 142.144 -63.9989 GPRESSURE: 2999800 -120.259 -194.095 134.159 -19.0405 21.2236 126.181 -10.9161 80.5822 34.7772 PRESSAVG: 2999800 35.7815 -24.3826 12.0476 -24.3826 9.68015 -22.765 12.0476 -22.7649 -24.6397 GPRESSAVG: 2999800 37.2756 -24.1105 13.4758 -25.157 9.13604 -21.1657 12.6824 -24.8901 -24.8948 TIMING: 2999800 CPU: 9546.72, 0.00311828/step Wall: 9546.72, 0.00311828/step, 1.73255 hours remaining, 236.289062 MB of memory in use. ENERGY: 2999800 3961.2214 20551.1223 14462.9927 247.7058 -203002.1277 2304.4257 0.0000 0.0000 51893.5521 -109581.1076 298.2330 -161474.6597 -109203.3625 299.0448 -56.9167 -21.4195 761100.6221 6.9407 7.1723 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000000 -92.182 116.356 -101.52 116.356 -6.53534 -130.449 -101.52 -130.447 -36.9059 GPRESSURE: 3000000 10.4587 158.517 -77.0464 45.4384 33.5614 -117.03 -95.5712 -78.1808 -88.8182 PRESSAVG: 3000000 -20.9622 -49.5638 -26.6962 -49.5638 36.8972 -25.3211 -26.6962 -25.321 -11.1166 GPRESSAVG: 3000000 -20.4209 -50.6202 -28.0551 -50.2129 36.916 -25.4117 -25.7429 -24.7141 -11.857 TIMING: 3000000 CPU: 9547.36, 0.00323754/step Wall: 9547.36, 0.00323754/step, 1.79864 hours remaining, 236.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3000000 4007.1751 20367.7234 14487.6851 247.5251 -203349.1020 2549.8259 0.0000 0.0000 52024.9852 -109664.1822 298.9883 -161689.1675 -109290.1360 298.8264 -45.2077 -14.9327 760169.9197 1.6061 1.5460 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 PRESSURE: 3000200 51.9727 127.407 151.853 127.407 -1.8015 90.1115 151.853 90.1111 -121.318 GPRESSURE: 3000200 87.4165 72.261 163.661 91.8343 -19.9554 163.931 74.9503 145.398 -55.5199 PRESSAVG: 3000200 3.27108 -41.7212 -60.2704 -41.7211 -11.0039 -9.40851 -60.2704 -9.40859 -23.5377 GPRESSAVG: 3000200 3.62741 -42.48 -59.5109 -43.282 -10.914 -11.4488 -62.1901 -8.35655 -23.3634 TIMING: 3000200 CPU: 9547.99, 0.00313872/step Wall: 9547.99, 0.00313872/step, 1.74356 hours remaining, 236.289062 MB of memory in use. ENERGY: 3000200 3939.5857 20639.2118 14476.5376 247.1405 -203621.1046 2520.3091 0.0000 0.0000 52065.9069 -109732.4131 299.2235 -161798.3200 -109375.4751 298.9271 -23.7157 3.9804 761082.9467 -10.4235 -10.2167 LDB: ============= START OF LOAD BALANCING ============== 9560.41 LDB: ============== END OF LOAD BALANCING =============== 9560.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9560.42 LDB: ============= START OF LOAD BALANCING ============== 9560.73 LDB: Largest compute 7075 load 0.032089 is 16.4% of average load 0.195658 LDB: Average compute 0.004390 is 2.2% of average load 0.195658 LDB: TIME 9560.73 LOAD: AVG 0.195658 MAX 0.219861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.051 MB LDB: TIME 9560.73 LOAD: AVG 0.195658 MAX 0.219861 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: TIME 9560.73 LOAD: AVG 0.195658 MAX 0.21667 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: ============== END OF LOAD BALANCING =============== 9560.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9560.74 PRESSURE: 3000400 -201.516 68.7625 84.537 68.7631 176.369 147.446 84.5374 147.446 162.398 GPRESSURE: 3000400 -68.9648 167.449 125.039 73.61 83.9443 63.9755 120.325 189.081 182.581 PRESSAVG: 3000400 -11.4607 4.3506 33.6996 4.35069 37.7583 30.1653 33.6996 30.1653 28.7512 GPRESSAVG: 3000400 -11.8385 5.46739 33.611 5.72239 38.0691 32.4445 33.4153 30.5767 28.9454 TIMING: 3000400 CPU: 9548.63, 0.00321044/step Wall: 9548.63, 0.00321044/step, 1.78322 hours remaining, 233.367188 MB of memory in use. ENERGY: 3000400 3964.8580 20551.8451 14416.9615 242.9714 -203593.4648 2677.3753 0.0000 0.0000 51772.4663 -109966.9872 297.5371 -161739.4535 -109614.2954 298.4429 45.7503 65.8534 760045.5382 18.3496 18.3920 PRESSURE: 3000600 -305.117 32.5351 19.0022 32.5351 -306.497 -56.3646 19.0009 -56.3657 78.2231 GPRESSURE: 3000600 -294.813 164.654 -20.5178 56.0806 -285.939 -109.382 16.1045 -87.8096 106.846 PRESSAVG: 3000600 -10.905 9.92753 -24.4368 9.9275 18.454 -30.7753 -24.4368 -30.7754 -24.17 GPRESSAVG: 3000600 -11.6802 10.7164 -23.8739 11.0229 18.4866 -32.0449 -22.16 -27.8918 -23.8119 TIMING: 3000600 CPU: 9549.26, 0.00314284/step Wall: 9549.26, 0.00314284/step, 1.7455 hours remaining, 233.367188 MB of memory in use. ENERGY: 3000600 3959.0884 20599.7126 14398.4468 243.1900 -203095.7578 2186.6106 0.0000 0.0000 51812.3614 -109896.3480 297.7664 -161708.7094 -109524.7124 298.4166 -177.7968 -157.9689 761171.2476 -5.5403 -5.6685 PRESSURE: 3000800 -267.188 206.281 -51.4471 206.282 -39.882 -163.747 -51.4472 -163.746 -138.015 GPRESSURE: 3000800 -230.852 162.285 -109.362 89.9198 19.0719 -96.814 -17.4298 -156.651 -139.392 PRESSAVG: 3000800 -5.80535 23.7903 -8.23694 23.7903 -23.605 -54.1002 -8.23696 -54.1001 22.7989 GPRESSAVG: 3000800 -6.30291 21.4015 -7.18861 23.1409 -22.9158 -54.1295 -10.9562 -57.3017 23.0275 TIMING: 3000800 CPU: 9549.89, 0.00312205/step Wall: 9549.89, 0.00312205/step, 1.73378 hours remaining, 233.367188 MB of memory in use. ENERGY: 3000800 4014.8145 20553.8624 14462.7371 244.4340 -203197.3563 2226.5813 0.0000 0.0000 51951.2610 -109743.6661 298.5646 -161694.9271 -109382.1878 298.5583 -148.3616 -117.0573 759888.9241 -2.2038 -2.0637 PRESSURE: 3001000 -97.7907 117.181 -10.699 117.181 59.03 -41.324 -10.6998 -41.3234 193.052 GPRESSURE: 3001000 -69.7077 -53.9035 -33.7646 90.1824 124.92 -86.6878 -101.515 -3.5239 203.917 PRESSAVG: 3001000 11.9886 -4.3585 -27.3265 -4.35853 7.59843 -53.5917 -27.3265 -53.5917 4.77975 GPRESSAVG: 3001000 13.0205 -3.98141 -28.3353 -3.98866 7.34939 -53.456 -27.1426 -53.2582 3.78977 TIMING: 3001000 CPU: 9550.51, 0.0031147/step Wall: 9550.51, 0.0031147/step, 1.72952 hours remaining, 233.367188 MB of memory in use. ENERGY: 3001000 3956.1884 20727.7983 14444.0948 237.0561 -203341.7814 2434.2969 0.0000 0.0000 51768.3033 -109774.0435 297.5132 -161542.3469 -109412.7735 298.5261 51.4305 86.3765 760690.9850 8.1223 8.0532 PRESSURE: 3001200 -178.355 28.4514 -6.69199 28.4514 -89.8959 -82.4186 -6.69219 -82.4191 26.4717 GPRESSURE: 3001200 -139.518 73.0237 24.4335 55.249 -63.9021 -120.446 -17.1396 -133.874 26.4295 PRESSAVG: 3001200 29.637 -15.2232 -8.36016 -15.2232 -31.1646 -22.3832 -8.3602 -22.3831 -31.5568 GPRESSAVG: 3001200 29.4332 -15.0736 -8.72847 -13.9522 -31.6954 -22.0945 -8.08735 -23.1371 -31.6899 TIMING: 3001200 CPU: 9551.14, 0.00313566/step Wall: 9551.14, 0.00313566/step, 1.74099 hours remaining, 233.367188 MB of memory in use. ENERGY: 3001200 3974.3702 20640.2745 14425.4311 240.7908 -203494.4048 2221.1198 0.0000 0.0000 52186.5570 -109805.8614 299.9169 -161992.4183 -109438.7173 298.7418 -80.5930 -58.9970 759299.2148 -11.0281 -11.3174 PRESSURE: 3001400 45.029 -173.462 -30.3288 -173.462 -3.42888 -113.951 -30.3287 -113.951 -130.478 GPRESSURE: 3001400 45.3573 -33.0209 -28.9475 -159.81 100.964 -146.449 -34.5687 -100.148 -137.128 PRESSAVG: 3001400 -2.49855 4.62451 -1.77414 4.62453 30.7341 -11.5598 -1.77419 -11.5598 21.0214 GPRESSAVG: 3001400 -2.94589 4.87544 -2.09464 2.35616 31.4191 -10.5708 -0.489575 -10.9369 21.0954 TIMING: 3001400 CPU: 9551.76, 0.00310664/step Wall: 9551.76, 0.00310664/step, 1.72471 hours remaining, 233.625000 MB of memory in use. ENERGY: 3001400 4008.5222 20613.7264 14416.4059 236.3041 -203263.8458 2449.3205 0.0000 0.0000 52001.7015 -109537.8653 298.8545 -161539.5668 -109179.7813 298.6290 -29.6260 3.0642 760520.4924 16.4190 16.5229 PRESSURE: 3001600 -11.4302 -167.853 -171.898 -167.854 -146.82 111.1 -171.898 111.101 -392.466 GPRESSURE: 3001600 32.937 -148.982 -154.893 -61.3397 -113.81 87.1257 -232.654 136.688 -369.636 PRESSAVG: 3001600 0.141256 -10.377 -21.0723 -10.3771 41.2467 32.7569 -21.0723 32.7569 11.8411 GPRESSAVG: 3001600 1.14716 -11.1234 -20.8282 -8.40894 40.7443 33.0803 -20.4967 32.398 11.6562 TIMING: 3001600 CPU: 9552.38, 0.00310617/step Wall: 9552.38, 0.00310617/step, 1.72427 hours remaining, 233.625000 MB of memory in use. ENERGY: 3001600 4057.7135 20492.9903 14419.5681 255.8116 -203553.5820 2312.7086 0.0000 0.0000 52409.3312 -109605.4587 301.1971 -162014.7899 -109236.5336 299.2605 -183.5721 -150.1698 758911.9985 17.7430 17.8492 PRESSURE: 3001800 109.241 -54.3734 106.803 -54.3733 -33.8836 -90.4604 106.803 -90.4604 109.557 GPRESSURE: 3001800 112.892 0.303543 128.454 -107.084 39.6257 -70.4616 138.204 -57.4889 100.177 PRESSAVG: 3001800 -77.5233 -9.76474 -9.65496 -9.76466 33.055 -19.6472 -9.65503 -19.6471 -0.987566 GPRESSAVG: 3001800 -77.2842 -7.98474 -9.43723 -10.4297 33.4052 -19.3098 -12.1734 -19.3889 -2.02852 TIMING: 3001800 CPU: 9553, 0.00312591/step Wall: 9553, 0.00312591/step, 1.73505 hours remaining, 233.625000 MB of memory in use. ENERGY: 3001800 3943.3735 20653.3403 14512.7943 252.4913 -203152.2544 2239.0430 0.0000 0.0000 51859.5488 -109691.6632 298.0375 -161551.2120 -109326.6022 298.7298 61.6380 84.2318 759377.5912 -15.1520 -15.3025 PRESSURE: 3002000 175.851 14.1346 -125.221 14.1333 180.505 -257.797 -125.221 -257.796 294.346 GPRESSURE: 3002000 234.705 72.3209 -179.431 -17.5612 190.219 -225.019 -5.93526 -309.65 322.599 PRESSAVG: 3002000 -9.26291 -0.665955 39.3307 -0.666012 11.7542 -53.5809 39.3307 -53.5809 -8.4292 GPRESSAVG: 3002000 -9.60119 -0.748395 37.1177 -1.84305 12.1815 -54.86 43.2173 -53.2599 -7.84787 TIMING: 3002000 CPU: 9553.63, 0.0031195/step Wall: 9553.63, 0.0031195/step, 1.73132 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 3980.8149 20544.0673 14488.3830 252.4498 -203376.0905 2592.1856 0.0000 0.0000 52008.7538 -109509.4362 298.8950 -161518.1900 -109146.0862 298.4348 216.9005 249.1744 758784.8782 -1.9793 -1.7558 PRESSURE: 3002200 288.005 -109.393 -141.152 -109.393 -232.71 252.376 -141.152 252.376 8.62888 GPRESSURE: 3002200 258.85 -139.714 -100.339 -49.3662 -140.262 245.034 -143.264 208.937 32.7377 PRESSAVG: 3002200 48.142 -11.1829 38.4094 -11.1829 0.762427 63.0519 38.4093 63.052 -10.5366 GPRESSAVG: 3002200 47.1725 -11.8667 39.3222 -10.5161 1.46646 63.7945 35.5069 62.3504 -10.5645 TIMING: 3002200 CPU: 9554.25, 0.00311669/step Wall: 9554.25, 0.00311669/step, 1.72959 hours remaining, 233.625000 MB of memory in use. ENERGY: 3002200 3948.3822 20487.0406 14541.0914 260.1124 -203457.0834 2577.1433 0.0000 0.0000 52191.9235 -109451.3900 299.9477 -161643.3136 -109086.4776 299.2986 21.3079 50.4417 758593.3888 12.7893 12.6915 PRESSURE: 3002400 -496.232 119.427 182.744 119.427 65.4067 37.3237 182.744 37.3232 153.9 GPRESSURE: 3002400 -394.315 125.233 74.4366 194.046 10.562 172.253 305.273 -56.8387 217.984 PRESSAVG: 3002400 -37.5694 6.18668 24.6685 6.18664 13.4195 33.9433 24.6685 33.9433 -10.2463 GPRESSAVG: 3002400 -36.0965 3.43972 24.1051 8.65461 13.0242 34.3561 24.9474 33.5205 -10.7658 TIMING: 3002400 CPU: 9554.87, 0.00310691/step Wall: 9554.87, 0.00310691/step, 1.72399 hours remaining, 233.625000 MB of memory in use. ENERGY: 3002400 4012.6781 20563.0603 14444.2458 239.3868 -203386.6122 2781.2202 0.0000 0.0000 51979.0323 -109366.9888 298.7242 -161346.0211 -108998.9127 299.7433 -92.3087 -55.2564 761397.2272 -11.4654 -11.2794 PRESSURE: 3002600 262.81 47.5537 -196.034 47.5529 -176.556 -107.765 -196.035 -107.765 -114.937 GPRESSURE: 3002600 259.413 47.7109 -180.298 15.386 -68.9607 -159.622 -247.234 -174.712 -127.808 PRESSAVG: 3002600 22.07 -48.2356 -25.3771 -48.2357 -21.455 -48.9102 -25.3771 -48.9102 -13.7955 GPRESSAVG: 3002600 22.4072 -46.7122 -23.715 -50.8227 -21.647 -49.92 -24.042 -47.7506 -13.6817 TIMING: 3002600 CPU: 9555.5, 0.00312125/step Wall: 9555.5, 0.00312125/step, 1.73177 hours remaining, 233.625000 MB of memory in use. ENERGY: 3002600 4091.2717 20582.0573 14462.0421 230.7889 -203214.4483 2468.8479 0.0000 0.0000 51951.6493 -109427.7911 298.5668 -161379.4404 -109070.9195 299.3908 -9.5609 20.8815 762750.6967 -4.3935 -4.3071 PRESSURE: 3002800 -56.58 -16.3362 -48.1566 -16.3364 204.214 -3.39911 -48.1575 -3.39911 519.68 GPRESSURE: 3002800 -22.8093 32.8584 76.0573 -61.8747 246.683 -10.5401 -161.844 61.232 521.982 PRESSAVG: 3002800 12.5657 -51.5311 -34.8929 -51.5311 -17.4484 -19.8707 -34.893 -19.8707 -1.76984 GPRESSAVG: 3002800 12.0106 -51.2761 -34.9851 -51.5796 -17.1736 -20.098 -36.6789 -20.7695 -1.33473 TIMING: 3002800 CPU: 9556.12, 0.00312373/step Wall: 9556.12, 0.00312373/step, 1.73298 hours remaining, 233.625000 MB of memory in use. ENERGY: 3002800 3993.1918 20577.6736 14493.1589 267.7466 -203515.5086 2598.8553 0.0000 0.0000 52171.0957 -109413.7867 299.8280 -161584.8823 -109050.1176 300.0202 222.4382 248.6186 759530.3999 -2.2175 -2.1659 PRESSURE: 3003000 -216.424 79.0617 85.5701 79.0609 61.5024 234.286 85.5702 234.288 195.055 GPRESSURE: 3003000 -260.326 235.304 93.1123 95.4095 181.148 273.087 79.6732 215.001 202.395 PRESSAVG: 3003000 38.9572 -7.53822 22.9821 -7.53825 7.25049 -22.4964 22.9821 -22.4965 20.6293 GPRESSAVG: 3003000 38.1464 -5.33586 22.9474 -7.00209 8.17261 -21.9903 23.1439 -23.8114 21.0117 TIMING: 3003000 CPU: 9556.74, 0.00310729/step Wall: 9556.74, 0.00310729/step, 1.72368 hours remaining, 233.625000 MB of memory in use. ENERGY: 3003000 4111.2785 20592.8146 14418.5970 233.9874 -203838.6385 2902.3506 0.0000 0.0000 52150.6425 -109428.9679 299.7105 -161579.6103 -109073.8044 299.8982 13.3780 41.0724 760665.1310 22.2790 22.4436 PRESSURE: 3003200 -230.501 -103.422 111.827 -103.422 -178.466 -13.2635 111.827 -13.2636 -557.223 GPRESSURE: 3003200 -105.623 -27.6958 127.135 -86.0509 -171.947 -50.7501 -83.4995 -67.3554 -588.282 PRESSAVG: 3003200 5.53164 -41.8818 32.637 -41.8819 -35.0826 -32.0882 32.6371 -32.0882 22.0888 GPRESSAVG: 3003200 5.89755 -44.7243 32.8161 -42.1519 -36.2255 -31.9506 33.4704 -30.2284 22.9946 TIMING: 3003200 CPU: 9557.36, 0.00310355/step Wall: 9557.36, 0.00310355/step, 1.72144 hours remaining, 233.625000 MB of memory in use. ENERGY: 3003200 4036.3363 20595.4969 14428.9595 254.2415 -202961.0361 2234.8719 0.0000 0.0000 52006.8379 -109404.2922 298.8840 -161411.1301 -109045.6154 299.1894 -322.0635 -288.6174 762307.3786 -2.4874 -2.4444 PRESSURE: 3003400 364.279 168.35 -135.682 168.349 111.69 -199.304 -135.682 -199.303 -9.60057 GPRESSURE: 3003400 275.702 167.761 -145.452 165.744 152.543 -152.232 -93.4077 -264.652 104.647 PRESSAVG: 3003400 44.9202 -52.5182 26.7973 -52.5182 -32.8282 -27.4783 26.7972 -27.4785 5.9369 GPRESSAVG: 3003400 44.7254 -50.9488 27.233 -52.4653 -32.5324 -28.4882 26.5382 -27.9778 6.12584 TIMING: 3003400 CPU: 9557.99, 0.00313544/step Wall: 9557.99, 0.00313544/step, 1.73895 hours remaining, 233.625000 MB of memory in use. ENERGY: 3003400 3979.0299 20637.0548 14456.2251 249.6544 -203826.0885 2826.5421 0.0000 0.0000 52112.2707 -109565.3116 299.4899 -161677.5823 -109212.6614 299.0978 155.4563 177.6308 760793.0373 6.0096 6.1063 PRESSURE: 3003600 -165.531 175.923 88.3395 175.924 -12.8005 165.227 88.339 165.227 -166.479 GPRESSURE: 3003600 -177.645 51.724 125.477 104.887 43.2771 66.2612 97.7755 128.534 -102.625 PRESSAVG: 3003600 -10.2712 -24.5986 18.2445 -24.5986 -14.4731 -35.0098 18.2445 -35.0097 7.11283 GPRESSAVG: 3003600 -9.80224 -26.0959 17.8095 -25.9906 -13.9242 -34.7468 17.5649 -34.19 6.39135 TIMING: 3003600 CPU: 9558.62, 0.00313683/step Wall: 9558.62, 0.00313683/step, 1.73955 hours remaining, 233.625000 MB of memory in use. ENERGY: 3003600 3909.4761 20507.1307 14502.4823 250.1137 -203568.5477 2791.9203 0.0000 0.0000 52106.0997 -109501.3249 299.4545 -161607.4247 -109145.8503 299.0709 -114.9369 -78.9974 762841.0268 -5.8772 -5.7784 PRESSURE: 3003800 -8.60848 -104.41 272.497 -104.41 9.1698 -175.665 272.498 -175.665 250.17 GPRESSURE: 3003800 78.6883 -44.4385 316.153 -95.8731 6.36571 -118.095 163.912 -56.545 252.758 PRESSAVG: 3003800 23.7461 7.16757 18.4948 7.16757 -41.1273 4.05084 18.4948 4.05089 -19.4233 GPRESSAVG: 3003800 25.2002 8.99068 18.419 7.09643 -40.687 5.33629 18.677 2.85972 -20.6156 TIMING: 3003800 CPU: 9559.25, 0.00313262/step Wall: 9559.25, 0.00313262/step, 1.73704 hours remaining, 233.625000 MB of memory in use. ENERGY: 3003800 3925.5765 20454.7214 14546.5837 247.0350 -203226.0525 2304.4130 0.0000 0.0000 52164.0295 -109583.6935 299.7874 -161747.7230 -109221.0797 299.3862 83.5770 112.6039 762401.7521 -12.2682 -12.0341 PRESSURE: 3004000 -121.353 123.856 -26.68 123.857 -152.823 111.736 -26.6797 111.737 -178.013 GPRESSURE: 3004000 7.77971 -17.1216 -20.268 173.349 -246.139 168.468 -54.5499 134.715 -123.407 PRESSAVG: 3004000 14.5567 -7.06731 -31.4671 -7.06727 -47.2577 24.8372 -31.4671 24.8372 7.21181 GPRESSAVG: 3004000 13.3648 -9.60089 -31.1626 -5.0338 -47.6805 24.1658 -30.946 26.3218 8.88752 TIMING: 3004000 CPU: 9559.87, 0.00311263/step Wall: 9559.87, 0.00311263/step, 1.72578 hours remaining, 233.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3004000 4004.0358 20405.2032 14455.1999 223.4738 -203311.7163 2516.1337 0.0000 0.0000 51861.9583 -109845.7117 298.0514 -161707.6700 -109486.2180 298.6987 -150.7297 -120.5888 762804.6684 -8.4964 -8.4761 PRESSURE: 3004200 69.676 -272.051 -204.121 -272.051 51.3028 -66.9557 -204.121 -66.956 -49.4982 GPRESSURE: 3004200 190.119 -302.786 -208.112 -200.256 47.824 -22.4413 -238.815 -70.4381 -89.1275 PRESSAVG: 3004200 18.8482 -14.1186 -65.5559 -14.1186 -50.4616 2.69232 -65.5559 2.69233 17.8322 GPRESSAVG: 3004200 18.6013 -11.5725 -66.5157 -16.0166 -48.9968 4.71762 -65.707 -0.374483 16.8045 TIMING: 3004200 CPU: 9560.49, 0.00311392/step Wall: 9560.49, 0.00311392/step, 1.72632 hours remaining, 233.625000 MB of memory in use. ENERGY: 3004200 3955.4770 20390.7183 14439.9016 247.6210 -203601.3544 2609.1868 0.0000 0.0000 51944.4211 -110014.0286 298.5253 -161958.4497 -109655.1936 298.5185 23.8269 49.6050 761240.6215 -4.5937 -4.5303 LDB: ============= START OF LOAD BALANCING ============== 9572.91 LDB: ============== END OF LOAD BALANCING =============== 9572.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9572.91 LDB: ============= START OF LOAD BALANCING ============== 9573.22 LDB: Largest compute 7075 load 0.031304 is 16.0% of average load 0.195577 LDB: Average compute 0.004382 is 2.2% of average load 0.195577 LDB: TIME 9573.22 LOAD: AVG 0.195577 MAX 0.225759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 9573.22 LOAD: AVG 0.195577 MAX 0.225759 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: TIME 9573.22 LOAD: AVG 0.195577 MAX 0.216811 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: ============== END OF LOAD BALANCING =============== 9573.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9573.23 PRESSURE: 3004400 -204.171 -95.6681 -216.322 -95.6678 83.356 -184.472 -216.322 -184.472 -247.994 GPRESSURE: 3004400 -137.418 -47.6284 -243.265 -123.259 35.464 -253.726 -123.981 -195.818 -181.389 PRESSAVG: 3004400 41.1422 -61.6083 -16.017 -61.6083 -22.1667 -14.2416 -16.0171 -14.2416 -4.73834 GPRESSAVG: 3004400 42.8819 -60.8374 -14.5481 -60.0675 -23.439 -16.9423 -16.5144 -11.4759 -5.31467 TIMING: 3004400 CPU: 9561.12, 0.00316923/step Wall: 9561.12, 0.00316923/step, 1.75681 hours remaining, 233.105469 MB of memory in use. ENERGY: 3004400 4068.0730 20451.7617 14522.7763 255.9542 -204156.8791 2869.9094 0.0000 0.0000 52039.6204 -109948.7841 299.0724 -161988.4045 -109594.6695 298.4089 -122.9363 -94.4478 760796.2299 4.7457 4.7094 PRESSURE: 3004600 -3.46313 -145.318 -191.973 -145.319 -241.316 -2.67785 -191.973 -2.67758 -528.732 GPRESSURE: 3004600 -51.4697 -84.4915 -173.31 -63.3728 -96.6405 0.140981 -234.814 41.3229 -543.322 PRESSAVG: 3004600 -15.0001 3.82228 -41.1695 3.82227 5.61448 -25.541 -41.1694 -25.541 -9.73525 GPRESSAVG: 3004600 -16.5281 5.32975 -42.1239 3.48679 6.29315 -23.5588 -39.7569 -27.383 -9.23143 TIMING: 3004600 CPU: 9561.75, 0.00312335/step Wall: 9561.75, 0.00312335/step, 1.7312 hours remaining, 233.429688 MB of memory in use. ENERGY: 3004600 3974.2975 20533.2403 14437.6143 254.2704 -203449.1713 2450.7422 0.0000 0.0000 51767.7965 -110031.2102 297.5102 -161799.0066 -109669.3975 298.6326 -257.8371 -230.4773 762046.3710 -6.3736 -6.4888 PRESSURE: 3004800 -204.379 161.604 -29.3984 161.604 -33.0505 13.6114 -29.3979 13.6111 19.0976 GPRESSURE: 3004800 -123.858 11.0381 37.0606 34.5692 -121.706 108.453 -101.046 -55.5288 126.072 PRESSAVG: 3004800 37.1028 -29.9555 -44.0326 -29.9555 8.41343 12.9942 -44.0325 12.9943 -8.72499 GPRESSAVG: 3004800 37.6058 -32.1391 -43.4612 -31.3066 8.01836 12.0985 -44.5936 13.8097 -8.86063 TIMING: 3004800 CPU: 9562.37, 0.00312198/step Wall: 9562.37, 0.00312198/step, 1.73027 hours remaining, 233.632812 MB of memory in use. ENERGY: 3004800 3953.4588 20319.0104 14519.8727 235.4513 -203930.8384 2862.7189 0.0000 0.0000 51935.9355 -110104.3907 298.4765 -162040.3263 -109736.5687 298.3512 -72.7773 -39.8307 760580.0470 12.2638 12.2545 PRESSURE: 3005000 -396.711 -170.588 48.2602 -170.587 -642.084 79.3514 48.2602 79.3496 -46.7376 GPRESSURE: 3005000 -275.63 -81.3129 68.5254 -136.986 -626.177 112.132 -7.43547 43.4073 -111.372 PRESSAVG: 3005000 0.613406 -24.6712 9.88146 -24.6711 9.61406 70.4599 9.88146 70.4598 21.9645 GPRESSAVG: 3005000 1.87415 -23.871 10.4809 -25.4779 9.39198 70.1762 8.86696 69.7919 20.9715 TIMING: 3005000 CPU: 9563, 0.00311616/step Wall: 9563, 0.00311616/step, 1.72687 hours remaining, 233.835938 MB of memory in use. ENERGY: 3005000 3977.5387 20471.8638 14445.6402 248.2926 -203403.4032 2492.5657 0.0000 0.0000 51807.9243 -109959.5780 297.7409 -161767.5023 -109597.8699 298.3077 -361.8441 -337.7264 761447.1735 10.7307 10.7459 PRESSURE: 3005200 -323.77 -180.609 28.0409 -180.61 -404.816 -176.825 28.0412 -176.823 -429.462 GPRESSURE: 3005200 -254.664 -127.994 20.7553 -45.9389 -379.636 -142.838 42.5267 -237.557 -433.789 PRESSAVG: 3005200 37.378 -89.5155 -4.09682 -89.5155 40.9534 -10.1572 -4.09681 -10.1572 16.9835 GPRESSAVG: 3005200 37.7407 -90.0774 -5.62565 -86.9385 40.7242 -9.23958 -4.07286 -7.8929 17.0438 TIMING: 3005200 CPU: 9563.62, 0.00313284/step Wall: 9563.62, 0.00313284/step, 1.73594 hours remaining, 233.835938 MB of memory in use. ENERGY: 3005200 4042.4876 20403.8925 14536.7859 229.2241 -203138.4371 2165.2635 0.0000 0.0000 51901.5367 -109859.2468 298.2788 -161760.7835 -109500.6859 298.5530 -386.0160 -356.0298 761912.1253 31.7716 31.8362 PRESSURE: 3005400 273.7 -148.872 65.8802 -148.872 204.774 199.055 65.8801 199.055 86.6341 GPRESSURE: 3005400 292.266 -79.4217 80.8862 -98.0226 90.4748 224.935 55.746 50.643 250.178 PRESSAVG: 3005400 6.85141 4.70841 35.8049 4.70847 -12.5465 74.5589 35.8048 74.559 4.26494 GPRESSAVG: 3005400 5.09313 5.11707 36.1229 4.01738 -12.3214 73.9933 36.0575 73.1261 5.72404 TIMING: 3005400 CPU: 9564.25, 0.00311907/step Wall: 9564.25, 0.00311907/step, 1.72814 hours remaining, 233.835938 MB of memory in use. ENERGY: 3005400 3933.4163 20485.2915 14464.0446 242.2511 -203728.5301 2764.4689 0.0000 0.0000 52039.1537 -109799.9040 299.0697 -161839.0577 -109441.3670 298.4921 188.3694 210.9729 760429.3296 -0.4767 -0.5014 PRESSURE: 3005600 -197.83 -133.408 -124.707 -133.407 -212.392 -22.7656 -124.707 -22.7657 -573.394 GPRESSURE: 3005600 -181.814 -113.465 -83.6871 -115.82 -173.357 -47.0575 8.05296 -63.3052 -551.114 PRESSAVG: 3005600 -42.6169 -54.7292 28.7372 -54.7291 54.715 12.3299 28.7372 12.3299 8.53909 GPRESSAVG: 3005600 -43.2573 -53.8281 29.1769 -53.4657 56.209 13.5457 30.4531 10.5325 7.5919 TIMING: 3005600 CPU: 9564.88, 0.00314474/step Wall: 9564.88, 0.00314474/step, 1.74218 hours remaining, 233.835938 MB of memory in use. ENERGY: 3005600 3982.8214 20514.9294 14450.6586 240.0645 -203237.0725 2356.3823 0.0000 0.0000 51949.7214 -109742.4949 298.5558 -161692.2163 -109390.9541 298.4504 -327.8720 -302.0950 763119.1507 6.8791 6.8479 PRESSURE: 3005800 -140.52 60.082 16.2994 60.0828 -61.9109 -92.3338 16.2986 -92.3336 216.25 GPRESSURE: 3005800 -132.908 88.4137 39.9369 -37.8102 -16.8561 -108.437 168.979 -72.7533 268.371 PRESSAVG: 3005800 -6.64074 -39.0143 46.9026 -39.0143 23.2584 19.0427 46.9025 19.0427 -9.34459 GPRESSAVG: 3005800 -5.94267 -40.733 47.5899 -38.674 22.3585 18.8889 46.2316 20.3058 -9.25411 TIMING: 3005800 CPU: 9565.5, 0.00313015/step Wall: 9565.5, 0.00313015/step, 1.73393 hours remaining, 233.835938 MB of memory in use. ENERGY: 3005800 3997.1781 20378.5630 14470.6418 244.5397 -203743.7082 2881.3076 0.0000 0.0000 51892.7641 -109878.7139 298.2284 -161771.4780 -109523.3823 298.4480 4.6065 39.5356 760953.8991 2.4244 2.3872 PRESSURE: 3006000 -90.2519 -230.707 -49.5771 -230.706 105.158 131.029 -49.577 131.028 91.0249 GPRESSURE: 3006000 11.0679 -143.544 -80.0818 -146.133 109.967 -11.7489 -35.7752 264.935 82.5625 PRESSAVG: 3006000 -19.0402 -50.5563 32.1809 -50.5564 19.5492 -14.5312 32.1809 -14.5313 -12.4956 GPRESSAVG: 3006000 -18.5374 -50.6895 31.182 -49.1199 18.3977 -15.7399 32.3564 -12.9242 -11.304 TIMING: 3006000 CPU: 9566.13, 0.00312151/step Wall: 9566.13, 0.00312151/step, 1.72897 hours remaining, 233.835938 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: 3006000 3988.5407 20427.4432 14416.5355 230.6970 -203280.8781 2428.0462 0.0000 0.0000 51933.1935 -109856.4221 298.4608 -161789.6156 -109493.5601 298.1032 35.3104 67.8657 760577.0533 -3.9955 -3.8146 PRESSURE: 3006200 -304.067 -162.243 -28.52 -162.243 -96.5319 -89.3364 -28.5201 -89.3355 -218.994 GPRESSURE: 3006200 -208.955 -84.9291 -96.6296 -232.994 -96.6176 -24.9605 29.5593 -27.0452 -228.094 PRESSAVG: 3006200 -26.2277 -55.7641 41.9267 -55.7641 -9.31024 5.37707 41.9268 5.37716 1.18689 GPRESSAVG: 3006200 -26.1411 -54.8202 42.2528 -57.5902 -9.15586 5.90092 42.3799 5.17637 1.12882 TIMING: 3006200 CPU: 9566.75, 0.00314175/step Wall: 9566.75, 0.00314175/step, 1.74001 hours remaining, 233.835938 MB of memory in use. ENERGY: 3006200 3937.3549 20565.6042 14494.1160 253.4819 -203242.0172 2333.2200 0.0000 0.0000 52006.9545 -109651.2856 298.8847 -161658.2402 -109289.0827 298.4006 -206.5308 -177.8890 762127.4602 -11.4504 -11.3894 PRESSURE: 3006400 185.261 20.4723 -34.8077 20.4723 -29.3736 71.5668 -34.8084 71.5666 -169.689 GPRESSURE: 3006400 142.444 -82.5165 -114.034 67.5761 2.55716 150.299 -47.6291 157.441 -88.2271 PRESSAVG: 3006400 18.3496 -31.9957 -13.4587 -31.9957 -33.0942 -40.716 -13.4588 -40.716 7.9433 GPRESSAVG: 3006400 19.62 -34.2171 -13.0961 -31.6432 -33.9431 -40.7709 -15.3015 -41.9965 7.35906 TIMING: 3006400 CPU: 9567.38, 0.0031338/step Wall: 9567.38, 0.0031338/step, 1.73543 hours remaining, 233.835938 MB of memory in use. ENERGY: 3006400 3963.2873 20598.5171 14474.7317 252.6045 -203347.0376 2381.0436 0.0000 0.0000 52227.7863 -109449.0670 300.1538 -161676.8533 -109084.9158 299.5412 -4.6004 18.9246 761556.4145 -2.2671 -2.3213 PRESSURE: 3006600 -126.957 -32.0631 -162.246 -32.0621 140.097 -75.2466 -162.247 -75.2461 446.86 GPRESSURE: 3006600 -60.18 47.5302 -126.132 59.1728 181.025 -38.3314 2.01058 -99.057 428.284 PRESSAVG: 3006600 13.6542 -56.8812 62.213 -56.8813 -8.47807 39.4962 62.2129 39.4962 1.26347 GPRESSAVG: 3006600 12.6598 -53.4098 62.018 -56.1183 -7.22079 41.0022 64.4555 39.1071 0.825872 TIMING: 3006600 CPU: 9568.01, 0.00312132/step Wall: 9568.01, 0.00312132/step, 1.72834 hours remaining, 233.835938 MB of memory in use. ENERGY: 3006600 3923.0640 20508.2082 14459.4624 232.4734 -203432.7803 2750.6500 0.0000 0.0000 51961.6385 -109597.2838 298.6243 -161558.9223 -109234.7865 299.7580 153.3332 183.0431 761057.5342 2.1465 2.0883 PRESSURE: 3006800 -174.757 39.2193 190.198 39.2189 -118.921 -94.2029 190.198 -94.2015 61.7495 GPRESSURE: 3006800 -57.0627 52.2003 206.371 -49.4622 -115.195 -6.33224 119.109 -62.3592 34.8843 PRESSAVG: 3006800 16.6778 -26.9297 16.3508 -26.9296 -41.7818 29.2634 16.3509 29.2634 -12.4758 GPRESSAVG: 3006800 17.8661 -30.6033 16.4114 -28.0142 -42.1606 28.0479 14.2497 30.592 -13.0524 TIMING: 3006800 CPU: 9568.63, 0.00314462/step Wall: 9568.63, 0.00314462/step, 1.74107 hours remaining, 233.835938 MB of memory in use. ENERGY: 3006800 3917.8492 20647.3418 14469.0017 236.9832 -202951.8312 2063.0358 0.0000 0.0000 52062.3985 -109555.2210 299.2033 -161617.6195 -109192.0809 299.4467 -77.3093 -45.7913 761658.1122 -12.5266 -12.4490 PRESSURE: 3007000 282.322 133.644 19.7453 133.643 109.161 -36.9866 19.744 -36.9855 -242.225 GPRESSURE: 3007000 386.297 113.479 12.1843 106.02 90.2492 17.4768 63.6505 -83.0469 -243.868 PRESSAVG: 3007000 18.9571 -30.9521 7.10839 -30.9521 -11.5792 23.6415 7.10833 23.6415 -9.03849 GPRESSAVG: 3007000 18.7745 -28.83 6.19446 -30.7213 -12.4555 24.265 7.71976 23.6224 -7.90203 TIMING: 3007000 CPU: 9569.26, 0.00314149/step Wall: 9569.26, 0.00314149/step, 1.73916 hours remaining, 233.835938 MB of memory in use. ENERGY: 3007000 3970.5040 20527.9216 14485.6693 252.3450 -203921.2558 2664.3215 0.0000 0.0000 52165.0744 -109855.4202 299.7934 -162020.4945 -109496.7401 299.1282 49.7525 77.5593 757904.7538 -0.5535 -0.5277 PRESSURE: 3007200 430.84 9.5696 97.4928 9.56976 86.5224 4.43943 97.4926 4.44048 504.937 GPRESSURE: 3007200 396.22 82.901 95.7496 75.3467 170.678 42.2565 221.751 69.5322 540.529 PRESSAVG: 3007200 75.3079 -11.6284 47.9184 -11.6284 -14.5663 -49.7099 47.9184 -49.71 6.65552 GPRESSAVG: 3007200 74.7593 -11.4364 49.1091 -12.0873 -13.6952 -50.2404 49.2259 -49.5337 6.86693 TIMING: 3007200 CPU: 9569.89, 0.00314602/step Wall: 9569.89, 0.00314602/step, 1.7415 hours remaining, 233.835938 MB of memory in use. ENERGY: 3007200 3990.7043 20538.2218 14443.1444 243.8891 -203433.3797 2471.4274 0.0000 0.0000 52038.0462 -109707.9465 299.0634 -161745.9927 -109351.5710 299.2099 340.7665 369.1423 759198.1309 22.4657 22.6437 PRESSURE: 3007400 125.564 -105.768 -153.453 -105.769 -209.328 -109.604 -153.453 -109.604 -4.08094 GPRESSURE: 3007400 182.941 4.38605 -194.669 -77.0932 -150.048 -27.5502 -154.315 -120.021 -13.135 PRESSAVG: 3007400 43.4299 -25.379 16.362 -25.379 -20.1858 -16.082 16.3619 -16.082 -22.4014 GPRESSAVG: 3007400 42.7996 -26.2698 16.1763 -23.7696 -19.2784 -16.4671 15.298 -16.0951 -22.1905 TIMING: 3007400 CPU: 9570.52, 0.00313719/step Wall: 9570.52, 0.00313719/step, 1.73643 hours remaining, 233.835938 MB of memory in use. ENERGY: 3007400 3934.5427 20428.4027 14446.2034 237.8489 -203062.6361 2364.4405 0.0000 0.0000 51813.2995 -109837.8983 297.7717 -161651.1979 -109468.7515 299.1848 -29.2817 6.5859 760105.3151 0.2809 0.4436 PRESSURE: 3007600 -43.1087 -148.699 13.5741 -148.699 -216.802 21.8558 13.5743 21.855 -201.531 GPRESSURE: 3007600 -37.3561 -53.7473 66.8627 -203.582 -219.603 -26.3905 11.9205 59.1984 -108.682 PRESSAVG: 3007600 87.1424 -57.5362 8.36031 -57.5363 -78.606 7.69803 8.36033 7.69805 -5.99387 GPRESSAVG: 3007600 87.329 -57.967 7.95272 -59.0364 -79.3984 8.17541 8.28522 8.21486 -5.47659 TIMING: 3007600 CPU: 9571.15, 0.00314022/step Wall: 9571.15, 0.00314022/step, 1.73794 hours remaining, 233.835938 MB of memory in use. ENERGY: 3007600 3949.2899 20439.8830 14479.0911 242.1682 -203086.5550 2318.5318 0.0000 0.0000 52002.7822 -109654.8087 298.8607 -161657.5909 -109295.0960 298.8063 -153.8139 -121.8805 759672.4678 0.8475 0.8180 PRESSURE: 3007800 218.581 162.661 97.1511 162.662 -212.603 -203.167 97.1511 -203.167 -76.4352 GPRESSURE: 3007800 256.979 38.1245 22.8902 21.7148 -153.268 -126.794 -8.8587 -187.995 -91.1629 PRESSAVG: 3007800 95.0815 -19.6989 -5.98143 -19.6989 -56.5324 33.9146 -5.98141 33.9145 15.7597 GPRESSAVG: 3007800 95.6484 -21.3845 -7.71947 -19.3974 -56.9057 34.5063 -3.77219 32.7368 15.7577 TIMING: 3007800 CPU: 9571.77, 0.00313719/step Wall: 9571.77, 0.00313719/step, 1.73609 hours remaining, 233.835938 MB of memory in use. ENERGY: 3007800 3969.8704 20603.1171 14516.0731 232.5175 -203507.5230 2604.0153 0.0000 0.0000 51807.0489 -109774.8807 297.7358 -161581.9296 -109424.7150 298.8217 -23.4859 4.1828 759670.7369 18.1029 18.1668 PRESSURE: 3008000 -58.9578 53.914 82.0964 53.9144 -59.8021 5.4212 82.0963 5.42215 -88.7328 GPRESSURE: 3008000 -47.4349 96.5783 107.955 201.18 -16.0031 83.9408 33.007 34.1469 -62.6577 PRESSAVG: 3008000 62.7149 -19.1587 33.7912 -19.1587 -50.6066 -91.6337 33.7912 -91.6336 -2.01719 GPRESSAVG: 3008000 62.3653 -17.8016 34.9172 -18.3452 -48.7176 -92.4654 32.4774 -90.671 -2.81872 TIMING: 3008000 CPU: 9572.4, 0.003131/step Wall: 9572.4, 0.003131/step, 1.73249 hours remaining, 233.835938 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: 3008000 4005.2516 20593.4070 14496.5424 255.1295 -203635.4163 2523.1666 0.0000 0.0000 51986.3564 -109775.5627 298.7663 -161761.9191 -109420.7133 298.3593 -69.1642 -42.0319 760268.8814 3.3637 3.6097 PRESSURE: 3008200 -138.039 -63.3391 -44.3792 -63.3386 -2.85899 194.051 -44.3787 194.05 -182.02 GPRESSURE: 3008200 -91.6848 -61.1558 -74.149 101.019 44.0312 158.184 -53.17 280.897 -180.09 PRESSAVG: 3008200 25.8891 -14.6911 -21.2561 -14.6912 -58.0871 -5.29779 -21.2561 -5.29786 -19.4847 GPRESSAVG: 3008200 26.6187 -14.2287 -21.4897 -13.1011 -58.924 -5.04516 -20.7931 -4.71672 -20.0308 TIMING: 3008200 CPU: 9573.03, 0.00312797/step Wall: 9573.03, 0.00312797/step, 1.73064 hours remaining, 233.835938 MB of memory in use. ENERGY: 3008200 4019.5690 20344.4814 14456.0462 239.1177 -203318.9278 2315.6063 0.0000 0.0000 51973.0532 -109971.0541 298.6899 -161944.1073 -109611.3333 298.5011 -107.6394 -75.9146 760709.5679 -17.2276 -17.4454 LDB: ============= START OF LOAD BALANCING ============== 9585.45 LDB: ============== END OF LOAD BALANCING =============== 9585.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9585.45 LDB: ============= START OF LOAD BALANCING ============== 9585.76 LDB: Largest compute 7075 load 0.031701 is 16.2% of average load 0.195507 LDB: Average compute 0.004398 is 2.2% of average load 0.195507 LDB: TIME 9585.76 LOAD: AVG 0.195507 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.941 MB LDB: TIME 9585.76 LOAD: AVG 0.195507 MAX 0.216687 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: TIME 9585.76 LOAD: AVG 0.195507 MAX 0.216687 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: ============== END OF LOAD BALANCING =============== 9585.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9585.77 PRESSURE: 3008400 103.763 218.549 163.886 218.548 290.334 119.252 163.886 119.252 225.793 GPRESSURE: 3008400 125.709 211.622 114.871 123.798 292.276 50.9531 222.921 221.915 296.441 PRESSAVG: 3008400 65.1975 15.787 -26.1549 15.787 -26.9034 -7.51177 -26.1549 -7.5118 -29.9163 GPRESSAVG: 3008400 65.3784 16.4406 -28.2821 13.7159 -26.8346 -8.91708 -24.189 -7.25904 -29.848 TIMING: 3008400 CPU: 9573.66, 0.00318189/step Wall: 9573.66, 0.00318189/step, 1.76029 hours remaining, 233.363281 MB of memory in use. ENERGY: 3008400 3976.2405 20543.7370 14505.6578 232.9445 -203715.4965 2797.7697 0.0000 0.0000 51673.0782 -109986.0688 296.9659 -161659.1470 -109635.6408 298.3895 206.6297 238.1420 758787.3683 2.7926 2.8986 PRESSURE: 3008600 -211.505 127.613 -203.452 127.613 -17.6779 76.0618 -203.451 76.0622 19.6729 GPRESSURE: 3008600 -159.645 221.511 -182.071 189.139 72.6821 26.8486 -126.834 58.3849 -12.7908 PRESSAVG: 3008600 3.77278 -4.29351 0.645008 -4.2935 13.6431 65.8992 0.64501 65.8993 9.70495 GPRESSAVG: 3008600 3.43178 -4.18647 0.740974 -3.49123 12.9366 68.569 1.22424 64.3206 11.1735 TIMING: 3008600 CPU: 9574.28, 0.00310888/step Wall: 9574.28, 0.00310888/step, 1.71973 hours remaining, 233.691406 MB of memory in use. ENERGY: 3008600 3992.5069 20501.1608 14501.0573 258.3686 -203395.0306 2521.4062 0.0000 0.0000 51755.7478 -109864.7829 297.4410 -161620.5308 -109506.8558 298.7032 -69.8365 -33.2514 761555.7451 9.0403 9.1806 PRESSURE: 3008800 -285.766 -82.0615 165.638 -82.0628 148.45 88.0151 165.639 88.0163 -81.6324 GPRESSURE: 3008800 -206.558 -135.192 146.885 -142.279 127.437 15.1006 108.632 82.297 -80.3701 PRESSAVG: 3008800 78.094 -0.675519 29.1818 -0.675544 -37.5176 38.6073 29.1817 38.6074 -9.30705 GPRESSAVG: 3008800 76.5429 -1.07284 30.814 -3.84891 -35.2774 36.7805 25.316 38.4463 -10.269 TIMING: 3008800 CPU: 9574.91, 0.00311274/step Wall: 9574.91, 0.00311274/step, 1.72169 hours remaining, 233.890625 MB of memory in use. ENERGY: 3008800 3948.4051 20570.0057 14427.4624 257.9331 -203524.5612 2456.4361 0.0000 0.0000 51805.6120 -110058.7069 297.7276 -161864.3189 -109685.5046 298.2671 -72.9828 -53.1638 759920.5818 10.4231 10.3322 PRESSURE: 3009000 -81.5152 -160.362 -25.1638 -160.362 -128.017 119.672 -25.1641 119.672 60.6238 GPRESSURE: 3009000 -30.9243 -76.6006 23.7875 -198.839 -80.8269 211.607 -94.631 3.32702 33.9631 PRESSAVG: 3009000 71.4368 17.3667 -21.4308 17.3668 -65.4407 -36.5378 -21.4308 -36.5377 -21.5233 GPRESSAVG: 3009000 73.5388 17.9756 -21.0856 17.9322 -67.6782 -36.7673 -20.2577 -35.7808 -21.3813 TIMING: 3009000 CPU: 9575.53, 0.00311616/step Wall: 9575.53, 0.00311616/step, 1.72341 hours remaining, 233.890625 MB of memory in use. ENERGY: 3009000 3915.0356 20642.3036 14399.5570 261.7839 -203262.0247 2447.4435 0.0000 0.0000 51562.0644 -110033.8366 296.3279 -161595.9010 -109680.7214 298.5980 -49.6362 -25.9294 760770.4040 -5.1757 -5.1736 PRESSURE: 3009200 106.227 -133.821 -189.976 -133.821 107.612 -52.4338 -189.975 -52.4336 -139.643 GPRESSURE: 3009200 68.1778 -96.7165 -174.244 -251.081 204.993 -54.4571 -118.401 -5.85922 -95.4972 PRESSAVG: 3009200 105.309 -29.5509 -39.5988 -29.5508 -122.473 -36.7834 -39.5988 -36.7834 17.9581 GPRESSAVG: 3009200 104.58 -29.0936 -40.8686 -30.0029 -120.85 -35.5168 -37.1463 -38.7324 17.4744 TIMING: 3009200 CPU: 9576.16, 0.00315054/step Wall: 9576.16, 0.00315054/step, 1.74225 hours remaining, 233.960938 MB of memory in use. ENERGY: 3009200 4011.7090 20406.1604 14422.0471 240.9537 -203679.0509 2488.0430 0.0000 0.0000 52042.2239 -110067.9138 299.0874 -162110.1377 -109714.4251 298.3429 24.7320 59.2246 759475.1096 0.2648 0.4017 PRESSURE: 3009400 -293.49 -101.692 -120.414 -101.691 -192.268 -21.4906 -120.414 -21.4905 -410.052 GPRESSURE: 3009400 -336.044 -107.52 -76.9816 -37.8567 -90.7822 -68.5651 -111.008 100.801 -389.438 PRESSAVG: 3009400 4.88866 -41.7129 -0.954173 -41.7129 -11.1606 -72.6452 -0.954218 -72.6452 16.1914 GPRESSAVG: 3009400 3.72745 -42.5023 -0.970274 -39.5609 -12.5134 -73.6067 -4.34571 -70.0852 18.4083 TIMING: 3009400 CPU: 9576.78, 0.00311941/step Wall: 9576.78, 0.00311941/step, 1.72486 hours remaining, 233.960938 MB of memory in use. ENERGY: 3009400 3962.0232 20477.6568 14366.1633 253.7425 -203362.5299 2314.8747 0.0000 0.0000 51983.2787 -110004.7909 298.7486 -161988.0695 -109640.8476 298.7526 -298.6034 -272.0881 761233.9958 3.3065 3.2075 PRESSURE: 3009600 207.642 -73.0087 28.8693 -73.0089 -95.9615 74.543 28.8692 74.5437 53.7133 GPRESSURE: 3009600 205.575 -47.7645 66.7285 -115.56 -58.1073 35.9411 -29.1954 118.923 133.502 PRESSAVG: 3009600 34.8642 -120.795 -29.9571 -120.795 8.35544 -19.2475 -29.9572 -19.2474 -1.04542 GPRESSAVG: 3009600 34.5797 -119.362 -27.9368 -122.035 9.49914 -19.185 -29.6879 -19.8508 -1.9052 TIMING: 3009600 CPU: 9577.41, 0.00311077/step Wall: 9577.41, 0.00311077/step, 1.71991 hours remaining, 233.960938 MB of memory in use. ENERGY: 3009600 3984.2930 20385.5739 14549.4595 255.3645 -204071.1230 3021.2974 0.0000 0.0000 51858.7776 -110016.3573 298.0331 -161875.1349 -109672.6719 298.3135 55.1311 93.6563 760945.0397 14.0581 14.0579 PRESSURE: 3009800 20.0707 -63.0524 47.3772 -63.0524 73.8736 -33.1226 47.3767 -33.1214 38.3362 GPRESSURE: 3009800 56.8072 -42.9226 -12.4036 -243.361 77.7396 -24.5156 141.849 -111.608 80.3728 PRESSAVG: 3009800 39.1138 -24.1895 23.6725 -24.1896 -38.8515 -38.4546 23.6725 -38.4546 3.54843 GPRESSAVG: 3009800 40.385 -26.3161 22.5001 -24.431 -40.2315 -36.7967 24.4744 -39.3571 2.64136 TIMING: 3009800 CPU: 9578.03, 0.00311979/step Wall: 9578.03, 0.00311979/step, 1.72473 hours remaining, 233.960938 MB of memory in use. ENERGY: 3009800 3990.7176 20500.1351 14511.8026 240.9663 -203299.5138 2234.0126 0.0000 0.0000 51821.4149 -110000.4646 297.8184 -161821.8796 -109648.9346 298.5919 44.0935 71.6398 760092.2291 1.2702 0.9316 PRESSURE: 3010000 26.7657 -268.972 216.794 -268.972 -314.435 -113.683 216.794 -113.683 -333.468 GPRESSURE: 3010000 46.3571 -172.655 217.507 -237.451 -278.161 -143.678 128.464 -47.9928 -292.042 PRESSAVG: 3010000 27.7491 -29.8836 34.7779 -29.8836 -18.5041 -1.54205 34.778 -1.54207 15.6587 GPRESSAVG: 3010000 27.9922 -27.3973 32.7463 -29.4037 -18.3975 -1.6601 34.9329 -3.8703 15.4881 TIMING: 3010000 CPU: 9578.66, 0.00312315/step Wall: 9578.66, 0.00312315/step, 1.72641 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3010000 4022.3975 20468.7625 14497.9173 259.2592 -202905.0673 2072.8702 0.0000 0.0000 51624.3366 -109959.5241 296.6858 -161583.8606 -109604.2344 298.2687 -207.0459 -174.6153 758893.0518 8.3012 8.3610 PRESSURE: 3010200 16.3991 -366.164 111.676 -366.164 -232.403 -50.8499 111.676 -50.8495 182.642 GPRESSURE: 3010200 62.4405 -261.029 142.351 -315.979 -210.07 -72.6885 73.1863 -174.311 187.39 PRESSAVG: 3010200 19.7032 -50.4583 -20.7365 -50.4583 -7.84105 -36.8613 -20.7365 -36.8613 0.548231 GPRESSAVG: 3010200 19.0242 -52.1664 -20.1386 -49.7572 -8.16922 -36.3945 -20.3102 -34.5441 0.889772 TIMING: 3010200 CPU: 9579.28, 0.00312427/step Wall: 9579.28, 0.00312427/step, 1.72685 hours remaining, 233.960938 MB of memory in use. ENERGY: 3010200 3973.7379 20415.1330 14466.9464 248.6715 -203623.3464 2656.9496 0.0000 0.0000 51816.1667 -110045.7412 297.7882 -161861.9079 -109681.4179 298.4706 -11.1206 13.2534 759280.4818 4.1368 3.9149 PRESSURE: 3010400 176.904 28.2087 -123.109 28.2089 -223.714 -79.9444 -123.109 -79.9457 -130.559 GPRESSURE: 3010400 153.705 65.3324 -66.0415 2.30551 -146.382 -138.444 -204.068 21.4495 -105.575 PRESSAVG: 3010400 20.1869 -23.073 27.0304 -23.0729 -1.85329 -87.8947 27.0304 -87.8947 -1.2179 GPRESSAVG: 3010400 19.2647 -23.3743 27.0294 -23.4889 -1.02843 -88.1474 26.7077 -89.3682 -0.92653 TIMING: 3010400 CPU: 9579.91, 0.00313093/step Wall: 9579.91, 0.00313093/step, 1.73036 hours remaining, 233.960938 MB of memory in use. ENERGY: 3010400 3961.2870 20442.3734 14455.2261 219.4265 -204030.7726 2815.1603 0.0000 0.0000 51872.9408 -110264.3586 298.1145 -162137.2994 -109901.1960 298.5701 -59.1230 -32.7507 759002.4418 5.7052 5.7699 PRESSURE: 3010600 86.5446 165.957 50.8805 165.958 -0.0375284 -148.994 50.8804 -148.995 237.024 GPRESSURE: 3010600 84.9904 92.2161 12.6518 190.187 36.709 -117.361 4.41311 -139.701 295.041 PRESSAVG: 3010600 22.4367 -18.0028 -32.9188 -18.0028 -18.2026 -9.2302 -32.9187 -9.23013 21.8921 GPRESSAVG: 3010600 23.1883 -18.9987 -33.0446 -18.3762 -19.4396 -10.1874 -33.9165 -7.20099 22.6231 TIMING: 3010600 CPU: 9580.53, 0.00311616/step Wall: 9580.53, 0.00311616/step, 1.72203 hours remaining, 233.960938 MB of memory in use. ENERGY: 3010600 3997.1507 20439.3038 14497.1898 258.0981 -203659.8113 2416.5991 0.0000 0.0000 51852.2637 -110199.2061 297.9957 -162051.4698 -109836.2022 298.2003 107.8437 138.9136 759332.3922 8.7087 8.7906 PRESSURE: 3010800 47.0081 12.0481 124.586 12.0481 229.986 -60.574 124.585 -60.5741 192.504 GPRESSURE: 3010800 161.692 -2.43678 181.545 -77.4538 258.425 -71.7473 106.534 68.0581 145.373 PRESSAVG: 3010800 -3.42963 -27.2933 -22.7666 -27.2933 44.9145 -50.6275 -22.7666 -50.6275 3.60943 GPRESSAVG: 3010800 -3.46676 -25.8798 -21.4589 -25.4672 45.1429 -51.3057 -21.9065 -48.4317 3.61037 TIMING: 3010800 CPU: 9581.16, 0.00313132/step Wall: 9581.16, 0.00313132/step, 1.73023 hours remaining, 233.960938 MB of memory in use. ENERGY: 3010800 3939.8698 20487.7854 14491.3022 269.3778 -204189.4874 3025.8390 0.0000 0.0000 51757.0122 -110218.3011 297.4483 -161975.3133 -109851.3922 298.5112 156.4995 188.4964 760212.9688 15.0314 15.0955 PRESSURE: 3011000 417.589 -101.599 -159.616 -101.599 415.76 27.7203 -159.615 27.7206 -138.42 GPRESSURE: 3011000 485.54 -153.966 -112.612 -24.5115 424.778 -6.03592 -47.1162 21.9196 -124.794 PRESSAVG: 3011000 1.58217 -18.585 -3.34233 -18.585 15.466 34.7683 -3.3423 34.7683 0.236652 GPRESSAVG: 3011000 2.54087 -18.4614 -5.26719 -19.1074 13.8559 33.0709 -3.10575 33.7567 -0.213289 TIMING: 3011000 CPU: 9581.78, 0.00312746/step Wall: 9581.78, 0.00312746/step, 1.72792 hours remaining, 233.960938 MB of memory in use. ENERGY: 3011000 3945.9595 20656.5232 14471.1283 254.8452 -204047.3260 2840.5354 0.0000 0.0000 52066.6583 -109811.6762 299.2278 -161878.3345 -109453.6023 298.9143 231.6430 261.8413 760805.2682 5.7616 5.3945 PRESSURE: 3011200 -160.018 -83.358 -348.244 -83.3584 75.6833 98.6775 -348.244 98.6756 417.992 GPRESSURE: 3011200 -11.0033 -167.566 -302.808 -67.8151 146.449 73.284 -251.427 218.681 290.789 PRESSAVG: 3011200 55.8379 -68.9657 -6.67988 -68.9658 -22.9391 23.02 -6.6799 23.0199 2.52102 GPRESSAVG: 3011200 54.7193 -69.622 -5.46929 -70.3613 -20.8645 25.9381 -6.78192 22.2872 1.90351 TIMING: 3011200 CPU: 9582.41, 0.00311821/step Wall: 9582.41, 0.00311821/step, 1.72264 hours remaining, 233.960938 MB of memory in use. ENERGY: 3011200 3955.9086 20594.2357 14447.1768 245.8359 -203285.2316 2486.7720 0.0000 0.0000 51756.6996 -109798.6030 297.4465 -161555.3026 -109442.9927 298.9597 111.2190 142.0781 759791.4529 11.8066 11.9194 PRESSURE: 3011400 -27.1686 -17.6502 169.441 -17.6497 -45.4839 277.669 169.442 277.67 -363.281 GPRESSURE: 3011400 -103.829 39.1991 212.736 34.5147 70.1721 241.012 199.53 114.922 -321.474 PRESSAVG: 3011400 -43.7204 -52.7308 5.37083 -52.7308 23.343 89.0488 5.37086 89.0489 -3.2606 GPRESSAVG: 3011400 -44.1365 -52.9795 4.0937 -50.6265 23.3222 88.6761 6.425 89.6113 -2.3963 TIMING: 3011400 CPU: 9583.03, 0.00311044/step Wall: 9583.03, 0.00311044/step, 1.71817 hours remaining, 233.960938 MB of memory in use. ENERGY: 3011400 4028.8817 20403.0680 14494.9123 257.1764 -203541.8603 2687.7943 0.0000 0.0000 52002.2671 -109667.7605 298.8577 -161670.0276 -109312.4827 298.5614 -145.3112 -118.3771 761331.4505 -7.8793 -7.7369 PRESSURE: 3011600 210.485 70.5026 -195.899 70.5021 126.609 -329.946 -195.899 -329.945 -482.27 GPRESSURE: 3011600 249.574 48.9193 -240.247 -24.3949 61.9022 -347.687 -146.973 -379.769 -391.316 PRESSAVG: 3011600 -26.4196 8.91734 -93.2545 8.91734 26.2737 13.5727 -93.2545 13.5727 -8.69329 GPRESSAVG: 3011600 -25.4353 7.21605 -93.0699 10.4817 26.9625 13.8556 -93.9321 12.8683 -10.4985 TIMING: 3011600 CPU: 9583.65, 0.00312741/step Wall: 9583.65, 0.00312741/step, 1.72737 hours remaining, 233.960938 MB of memory in use. ENERGY: 3011600 3951.5521 20535.1866 14556.5301 260.6024 -203210.9233 2209.5177 0.0000 0.0000 52222.3120 -109475.2224 300.1223 -161697.5344 -109110.5053 299.4002 -48.3922 -26.6132 758413.3811 -2.9464 -2.9904 PRESSURE: 3011800 -221.137 -5.02568 125.963 -5.02604 49.4658 24.4865 125.964 24.4855 151.272 GPRESSURE: 3011800 -103.301 13.4299 178.169 -19.6757 95.7847 26.77 81.4095 90.9127 71.0679 PRESSAVG: 3011800 -7.69251 -15.7946 -71.1558 -15.7946 -32.8111 -19.1951 -71.1558 -19.1951 -13.7602 GPRESSAVG: 3011800 -7.60229 -13.1599 -69.4727 -19.6482 -33.7286 -18.9172 -72.7897 -19.1425 -13.4423 TIMING: 3011800 CPU: 9584.28, 0.00311813/step Wall: 9584.28, 0.00311813/step, 1.72207 hours remaining, 233.960938 MB of memory in use. ENERGY: 3011800 3956.2568 20633.4088 14484.5634 250.0939 -203355.4394 2485.1108 0.0000 0.0000 52132.6491 -109413.3567 299.6071 -161546.0058 -109037.3001 299.8791 -6.7996 21.1840 761032.1861 -18.0879 -18.2577 PRESSURE: 3012000 240.238 -221.591 61.4797 -221.592 -117.033 -35.7805 61.4794 -35.78 34.6789 GPRESSURE: 3012000 196.033 -91.5028 37.0128 -268.424 0.400437 -26.7058 -31.9319 -36.6396 52.1472 PRESSAVG: 3012000 -48.05 -6.43202 -37.7014 -6.43201 40.0866 17.8017 -37.7014 17.8017 0.421148 GPRESSAVG: 3012000 -49.0721 -6.49755 -39.1783 -5.52074 41.0245 17.7963 -35.1403 15.9309 0.54738 TIMING: 3012000 CPU: 9584.9, 0.00312017/step Wall: 9584.9, 0.00312017/step, 1.72303 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3012000 4008.6438 20782.0411 14483.8155 239.1271 -203610.1904 2506.2995 0.0000 0.0000 52373.0422 -109217.2212 300.9886 -161590.2634 -108851.3665 299.9297 52.6281 82.8602 760413.7400 -2.5141 -2.5001 PRESSURE: 3012200 -236.137 -42.0188 -46.0421 -42.02 -129.454 -21.4118 -46.0418 -21.4116 -334.433 GPRESSURE: 3012200 -228.002 22.6641 1.01715 -20.1281 -107.605 -65.8364 -99.8408 -12.1258 -283.301 PRESSAVG: 3012200 24.3318 -55.4945 -20.181 -55.4946 16.9727 -21.0344 -20.181 -21.0344 1.33636 GPRESSAVG: 3012200 26.2123 -57.0628 -19.0054 -55.7872 15.8825 -21.934 -20.9349 -18.7238 0.682884 TIMING: 3012200 CPU: 9585.53, 0.003125/step Wall: 9585.53, 0.003125/step, 1.72552 hours remaining, 233.960938 MB of memory in use. ENERGY: 3012200 4035.0038 20538.0989 14488.7335 241.7552 -203317.7598 2252.0484 0.0000 0.0000 52325.7812 -109436.3389 300.7170 -161762.1201 -109066.9419 300.5527 -233.3411 -206.3029 759976.1019 14.2136 14.2592 LDB: ============= START OF LOAD BALANCING ============== 9597.95 LDB: ============== END OF LOAD BALANCING =============== 9597.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9597.95 LDB: ============= START OF LOAD BALANCING ============== 9598.26 LDB: Largest compute 7052 load 0.031099 is 15.9% of average load 0.195489 LDB: Average compute 0.004381 is 2.2% of average load 0.195489 LDB: TIME 9598.26 LOAD: AVG 0.195489 MAX 0.221574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.93 MB LDB: TIME 9598.26 LOAD: AVG 0.195489 MAX 0.221574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: TIME 9598.26 LOAD: AVG 0.195489 MAX 0.217171 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: ============== END OF LOAD BALANCING =============== 9598.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9598.27 PRESSURE: 3012400 186.028 130.155 8.8784 130.154 99.5601 -159.07 8.87823 -159.07 303.042 GPRESSURE: 3012400 189.124 29.1466 -92.6224 129.746 170.716 -269.351 99.3614 -0.467948 325.697 PRESSAVG: 3012400 28.8842 -2.15665 -15.0877 -2.15658 20.3212 16.4935 -15.0876 16.4935 -2.26024 GPRESSAVG: 3012400 27.7548 -1.46999 -15.8277 -1.76256 20.1728 15.6723 -16.5099 15.7299 -0.879891 TIMING: 3012400 CPU: 9586.16, 0.0031895/step Wall: 9586.16, 0.0031895/step, 1.76096 hours remaining, 234.121094 MB of memory in use. ENERGY: 3012400 3907.6818 20416.8120 14518.5000 241.4854 -203463.5686 2667.2489 0.0000 0.0000 52262.7038 -109449.1367 300.3545 -161711.8405 -109085.3133 299.8235 196.2101 228.5126 760976.1192 15.6484 15.6826 PRESSURE: 3012600 155.441 -101.371 321.947 -101.372 513.796 -48.5773 321.947 -48.5769 534.146 GPRESSURE: 3012600 240.597 -127.966 234.172 10.2125 549.963 -96.1754 259.747 -21.032 500.254 PRESSAVG: 3012600 13.8551 -13.5303 -3.7659 -13.5303 11.4802 14.4683 -3.76592 14.4684 -17.387 GPRESSAVG: 3012600 15.3855 -12.8993 -2.91869 -13.7919 11.5618 16.3602 -3.71382 13.1929 -19.4874 TIMING: 3012600 CPU: 9586.79, 0.00313159/step Wall: 9586.79, 0.00313159/step, 1.72881 hours remaining, 234.519531 MB of memory in use. ENERGY: 3012600 3933.7882 20580.5446 14469.4672 240.8226 -203638.0066 2748.9278 0.0000 0.0000 52130.0345 -109534.4218 299.5920 -161664.4563 -109175.8866 299.3623 401.1278 430.2713 760394.6223 2.6494 2.4866 PRESSURE: 3012800 -225.201 37.1829 -411.3 37.1832 201.822 19.1736 -411.3 19.1729 488.525 GPRESSURE: 3012800 -180.925 -31.133 -436.148 90.748 205.012 -46.5025 -298.974 32.0284 528.559 PRESSAVG: 3012800 -58.3728 -51.6156 64.3687 -51.6157 12.1122 -6.70704 64.3687 -6.70698 -1.4076 GPRESSAVG: 3012800 -59.9716 -50.0231 63.6665 -51.486 12.8477 -6.81489 65.4466 -4.01247 -0.431722 TIMING: 3012800 CPU: 9587.41, 0.00311494/step Wall: 9587.41, 0.00311494/step, 1.71945 hours remaining, 234.519531 MB of memory in use. ENERGY: 3012800 3975.4094 20489.9453 14376.9455 239.8121 -203524.1301 2575.5735 0.0000 0.0000 52017.2264 -109849.2178 298.9437 -161866.4442 -109493.2362 298.7533 155.0489 184.2152 760631.5377 -15.8894 -15.8519 PRESSURE: 3013000 96.1425 -131.819 -313.691 -131.819 -186.743 -28.0092 -313.691 -28.009 -216.948 GPRESSURE: 3013000 197.383 -109.952 -261.06 -206.531 -234.252 -108.949 -325.157 53.4239 -181.903 PRESSAVG: 3013000 5.63252 -42.2086 -53.5199 -42.2085 -37.6065 -8.18322 -53.5199 -8.18329 17.5329 GPRESSAVG: 3013000 5.87937 -41.0893 -52.9325 -44.492 -37.1465 -7.95091 -52.775 -8.74343 17.8374 TIMING: 3013000 CPU: 9588.04, 0.00312398/step Wall: 9588.04, 0.00312398/step, 1.72426 hours remaining, 234.519531 MB of memory in use. ENERGY: 3013000 3920.6627 20690.3111 14512.2690 246.2497 -203495.8480 2290.0121 0.0000 0.0000 52015.6134 -109820.7301 298.9344 -161836.3435 -109457.2169 298.8685 -102.5161 -72.9239 760416.4200 -4.8137 -4.4766 PRESSURE: 3013200 334.698 -53.0019 17.2469 -53.0027 -75.323 -211.274 17.2469 -211.273 95.0453 GPRESSURE: 3013200 368.29 15.8174 -36.2625 -117.898 -68.2822 -202.406 -115.249 -11.5849 163.868 PRESSAVG: 3013200 17.9828 -95.783 -5.25564 -95.783 8.29552 -22.8962 -5.25566 -22.8962 -4.84452 GPRESSAVG: 3013200 18.9079 -95.6711 -5.27189 -93.9191 7.91465 -24.4865 -5.14774 -20.3501 -5.30173 TIMING: 3013200 CPU: 9588.66, 0.00310652/step Wall: 9588.66, 0.00310652/step, 1.71445 hours remaining, 234.519531 MB of memory in use. ENERGY: 3013200 3987.3169 20588.9636 14504.1668 251.5438 -203547.5114 2642.1839 0.0000 0.0000 51811.1573 -109762.1791 297.7594 -161573.3364 -109401.3979 299.1697 118.1401 154.6251 759660.4568 7.1446 7.1736 PRESSURE: 3013400 249.644 -137.257 257.405 -137.257 392.954 -47.3204 257.405 -47.3207 381.932 GPRESSURE: 3013400 261.125 -74.876 274.945 -177.306 390.255 6.37587 168.064 -53.5441 447.618 PRESSAVG: 3013400 1.13558 -25.9577 -46.0285 -25.9577 15.8038 6.66871 -46.0285 6.66871 -8.80537 GPRESSAVG: 3013400 0.897475 -26.0443 -46.2169 -27.6003 15.9157 9.24488 -45.8754 5.84864 -8.63876 TIMING: 3013400 CPU: 9589.28, 0.00310558/step Wall: 9589.28, 0.00310558/step, 1.71376 hours remaining, 234.519531 MB of memory in use. ENERGY: 3013400 3924.4316 20446.7542 14499.6411 261.7781 -204078.5698 2936.0265 0.0000 0.0000 52279.8283 -109730.1101 300.4529 -162009.9383 -109364.2504 299.4452 341.5100 366.3331 760756.9882 2.7113 2.7248 PRESSURE: 3013600 -183.693 -132.431 12.7243 -132.432 -322.238 81.5235 12.7253 81.5233 -5.28149 GPRESSURE: 3013600 -41.0382 -93.2588 -74.9492 -24.2944 -296.046 50.1291 63.5015 28.3825 -78.3775 PRESSAVG: 3013600 45.3429 17.0451 30.3989 17.0452 -41.4579 -18.5212 30.3989 -18.5213 -8.51267 GPRESSAVG: 3013600 44.8032 17.0577 30.4825 19.0015 -41.5271 -20.0282 28.2766 -21.1649 -7.85779 TIMING: 3013600 CPU: 9589.91, 0.00313303/step Wall: 9589.91, 0.00313303/step, 1.72874 hours remaining, 234.519531 MB of memory in use. ENERGY: 3013600 3916.5377 20375.7281 14438.4039 247.3692 -203247.3170 2311.9647 0.0000 0.0000 52065.9838 -109891.3297 299.2239 -161957.3135 -109522.1583 298.8036 -170.4042 -138.4873 762220.6317 -1.5426 -1.5272 PRESSURE: 3013800 77.4998 80.1199 -149.631 80.1204 320.562 -166.159 -149.632 -166.16 130.791 GPRESSURE: 3013800 96.2274 149.501 -71.6427 -22.1586 282.348 -109.152 -278.536 -61.2369 237.432 PRESSAVG: 3013800 -15.339 -31.7371 5.15049 -31.7371 24.8864 -60.5374 5.15045 -60.5373 -7.22586 GPRESSAVG: 3013800 -14.2663 -32.3518 5.81427 -31.6971 23.6114 -61.8635 4.6896 -57.4795 -7.51438 TIMING: 3013800 CPU: 9590.53, 0.00312027/step Wall: 9590.53, 0.00312027/step, 1.72152 hours remaining, 234.519531 MB of memory in use. ENERGY: 3013800 3942.6821 20535.1838 14464.2368 222.8761 -203366.9495 2554.0678 0.0000 0.0000 51945.0009 -109702.9020 298.5286 -161647.9030 -109341.3987 299.2504 176.2845 205.3357 763067.5035 0.7738 0.6102 PRESSURE: 3014000 65.7188 -133.599 -54.4205 -133.599 49.0574 -187.876 -54.421 -187.876 -135.04 GPRESSURE: 3014000 -33.2497 -155.553 -0.0273218 -145.036 155.853 -258.807 -45.2827 -171.284 -62.2086 PRESSAVG: 3014000 -20.8003 -27.6801 -11.3411 -27.6801 22.0789 -35.2098 -11.3411 -35.2098 40.9408 GPRESSAVG: 3014000 -22.1764 -28.5353 -13.8046 -25.5735 23.1677 -35.7341 -9.20801 -36.8694 41.2022 TIMING: 3014000 CPU: 9591.15, 0.00311832/step Wall: 9591.15, 0.00311832/step, 1.72027 hours remaining, 234.519531 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: 3014000 4019.3062 20526.8186 14520.3800 226.5656 -203662.8271 2764.9995 0.0000 0.0000 52112.0997 -109492.6576 299.4890 -161604.7573 -109123.1576 299.2122 -6.7545 20.1315 762393.2704 14.0731 14.0645 PRESSURE: 3014200 -212.063 -208.253 -51.1247 -208.253 323.668 -21.9574 -51.1245 -21.9579 354.722 GPRESSURE: 3014200 -28.0745 -183.255 -61.4248 -181.661 292.783 45.8458 -60.3826 -35.5553 309.352 PRESSAVG: 3014200 -46.6596 -16.5342 -1.81125 -16.5342 67.3923 -21.1936 -1.81127 -21.1936 -14.0847 GPRESSAVG: 3014200 -46.4667 -15.8075 -0.0178738 -21.3392 68.5047 -18.1915 -1.77343 -21.3442 -15.4012 TIMING: 3014200 CPU: 9591.78, 0.00310924/step Wall: 9591.78, 0.00310924/step, 1.71509 hours remaining, 234.519531 MB of memory in use. ENERGY: 3014200 3942.9827 20438.0472 14572.1396 254.4756 -203438.0452 2749.5134 0.0000 0.0000 51915.4553 -109565.4315 298.3588 -161480.8869 -109194.0180 299.5337 155.4426 191.3535 762021.1777 2.2160 2.2123 PRESSURE: 3014400 35.0656 -188.559 131.596 -188.558 -328.692 133.086 131.597 133.085 -118.42 GPRESSURE: 3014400 32.5694 -179.988 124.77 -118.298 -248.179 202.409 110.004 26.2938 -113.424 PRESSAVG: 3014400 15.9177 6.77638 17.4333 6.77643 48.2243 2.36684 17.4333 2.3668 10.9061 GPRESSAVG: 3014400 15.9039 7.57503 15.306 8.69142 47.1474 -1.02324 18.3265 3.85518 11.7492 TIMING: 3014400 CPU: 9592.4, 0.00312216/step Wall: 9592.4, 0.00312216/step, 1.72205 hours remaining, 234.519531 MB of memory in use. ENERGY: 3014400 4097.8677 20544.7231 14543.7373 244.5897 -203383.4791 2718.0965 0.0000 0.0000 51898.0038 -109336.4609 298.2585 -161234.4647 -108979.6046 299.5840 -137.3487 -109.6779 765119.8947 25.0160 24.9335 PRESSURE: 3014600 -1.81702 -46.2151 251.345 -46.2154 37.7954 -64.6554 251.345 -64.656 375.328 GPRESSURE: 3014600 67.9128 43.0386 222.8 -155.257 31.2956 -25.3541 -17.9492 -144.425 399.385 PRESSAVG: 3014600 -9.64972 44.8344 11.8133 44.8343 -6.23702 -72.7634 11.8133 -72.7633 15.1628 GPRESSAVG: 3014600 -9.57269 45.3471 12.3778 44.63 -5.89074 -71.2118 9.01082 -71.4257 15.3608 TIMING: 3014600 CPU: 9593.03, 0.00312954/step Wall: 9593.03, 0.00312954/step, 1.72594 hours remaining, 234.519531 MB of memory in use. ENERGY: 3014600 4035.0081 20378.1018 14475.9349 249.5511 -203606.6120 2714.9624 0.0000 0.0000 52382.3064 -109370.7473 301.0418 -161753.0536 -109007.4495 300.0163 137.1022 166.1978 762228.1487 -0.2413 -0.0342 PRESSURE: 3014800 -160.7 -47.4005 -116.399 -47.3998 -52.9375 62.2613 -116.399 62.2614 -461.213 GPRESSURE: 3014800 -104.613 -30.1871 -126.409 -53.3039 -68.5323 80.0219 -81.6285 -32.1142 -402.011 PRESSAVG: 3014800 -19.9949 -11.9022 -40.8377 -11.9023 6.92608 -7.08388 -40.8376 -7.08385 -12.0916 GPRESSAVG: 3014800 -18.7288 -13.973 -42.3892 -10.9896 6.88768 -7.83001 -39.2391 -11.0601 -12.3006 TIMING: 3014800 CPU: 9593.65, 0.0031203/step Wall: 9593.65, 0.0031203/step, 1.72067 hours remaining, 234.519531 MB of memory in use. ENERGY: 3014800 3986.4722 20549.0926 14504.5516 237.3151 -203194.6751 2523.6000 0.0000 0.0000 52057.3330 -109336.3106 299.1742 -161393.6436 -108970.4931 299.8671 -224.9501 -191.7189 763584.3723 -8.3868 -8.0472 PRESSURE: 3015000 -104.539 -248.257 -36.7194 -248.258 50.542 87.6627 -36.7188 87.6631 -30.0321 GPRESSURE: 3015000 -15.8171 -162.127 -18.8733 -303.919 87.0997 93.5706 -11.8208 181.745 -51.797 PRESSAVG: 3015000 -37.6813 -18.3571 9.07338 -18.3571 20.7023 -22.9147 9.07338 -22.9146 -7.42453 GPRESSAVG: 3015000 -37.7117 -17.3627 10.7254 -18.599 21.2196 -21.8668 9.15381 -20.1447 -7.75341 TIMING: 3015000 CPU: 9594.27, 0.00311364/step Wall: 9594.27, 0.00311364/step, 1.71683 hours remaining, 234.519531 MB of memory in use. ENERGY: 3015000 4036.1630 20467.1244 14548.3076 269.0973 -203667.4178 2958.4560 0.0000 0.0000 52164.9556 -109223.3139 299.7927 -161388.2695 -108855.1487 299.7404 -28.0096 6.4952 763227.2959 -8.1345 -8.0819 PRESSURE: 3015200 -437.667 141.446 128.359 141.446 -156.605 157.339 128.359 157.34 -405.846 GPRESSURE: 3015200 -379.751 164.851 -29.147 98.093 -230.082 117.925 99.3347 92.3144 -317.358 PRESSAVG: 3015200 2.88131 -11.1456 -12.106 -11.1456 16.4167 -31.0978 -12.1061 -31.0978 -19.868 GPRESSAVG: 3015200 1.5569 -12.2836 -13.4091 -10.4311 16.2817 -32.034 -10.0832 -34.0032 -19.0946 TIMING: 3015200 CPU: 9594.9, 0.00311416/step Wall: 9594.9, 0.00311416/step, 1.71694 hours remaining, 234.519531 MB of memory in use. ENERGY: 3015200 4096.7812 20425.0549 14518.9906 262.8321 -203140.8132 2284.6140 0.0000 0.0000 51983.1303 -109569.4101 298.7478 -161552.5405 -109209.5157 299.3796 -333.3728 -309.0635 764057.9927 -0.1900 -0.4187 PRESSURE: 3015400 -109.219 24.1001 -112.587 24.0995 -35.4853 0.869979 -112.587 0.870026 99.1521 GPRESSURE: 3015400 48.9025 -35.0347 -13.204 47.201 33.2462 -3.40971 -111.344 -98.2182 -29.973 PRESSAVG: 3015400 -22.0245 -6.88458 -48.6192 -6.88461 -10.8044 34.1557 -48.6192 34.1557 5.83815 GPRESSAVG: 3015400 -21.6193 -5.75782 -46.8948 -9.57686 -10.112 33.1212 -50.2303 36.4032 4.6978 TIMING: 3015400 CPU: 9595.52, 0.0031283/step Wall: 9595.52, 0.0031283/step, 1.72456 hours remaining, 234.519531 MB of memory in use. ENERGY: 3015400 3978.5077 20423.2233 14534.0749 249.8130 -203453.8748 2677.2162 0.0000 0.0000 52060.4320 -109530.6077 299.1920 -161591.0397 -109169.4933 297.6501 -15.1841 17.3919 762342.9856 -8.9969 -9.0112 PRESSURE: 3015600 112.891 -156.629 -121.532 -156.629 -8.64211 -1.67 -121.532 -1.67009 121.709 GPRESSURE: 3015600 66.1897 -200.788 -129.464 -197.964 76.0414 -50.1313 -153.705 -39.3616 174.789 PRESSAVG: 3015600 11.2181 22.9428 -33.6633 22.9428 -1.82684 -10.0371 -33.6633 -10.0371 0.243568 GPRESSAVG: 3015600 11.5684 23.1936 -35.0062 25.6447 -2.66189 -7.82666 -33.1686 -11.0841 0.701582 TIMING: 3015600 CPU: 9596.15, 0.00314507/step Wall: 9596.15, 0.00314507/step, 1.73363 hours remaining, 234.519531 MB of memory in use. ENERGY: 3015600 3984.2959 20392.5003 14535.7911 263.5698 -203810.5895 2877.1299 0.0000 0.0000 52107.1185 -109650.1840 299.4603 -161757.3025 -109292.0732 298.4943 75.3192 105.6733 762950.9620 3.2116 3.2027 PRESSURE: 3015800 146.732 38.4737 78.146 38.4739 328.151 -206.975 78.1471 -206.975 110.237 GPRESSURE: 3015800 214.319 -34.4853 40.8436 128.295 273.655 -136.646 3.35875 -154.523 159.436 PRESSAVG: 3015800 18.7502 -8.38508 16.3552 -8.38501 6.48199 -24.0386 16.3552 -24.0385 -8.42983 GPRESSAVG: 3015800 17.8775 -9.55046 17.6686 -8.87299 6.65519 -23.1252 16.6716 -24.6948 -8.53071 TIMING: 3015800 CPU: 9596.78, 0.00312701/step Wall: 9596.78, 0.00312701/step, 1.72351 hours remaining, 234.519531 MB of memory in use. ENERGY: 3015800 3962.5844 20280.9791 14484.2829 247.0369 -203585.6666 3102.3906 0.0000 0.0000 52017.1410 -109491.2518 298.9432 -161508.3928 -109131.2669 298.9036 195.0399 215.8035 763029.0431 5.6008 5.3340 PRESSURE: 3016000 17.071 67.5274 74.4092 67.5265 -465.075 -332.616 74.4104 -332.615 -201.669 GPRESSURE: 3016000 117.865 -57.9412 53.8209 57.9172 -457.261 -262.126 158.067 -322.565 -234.379 PRESSAVG: 3016000 5.27965 -42.5511 11.5888 -42.5511 -20.5827 -111.995 11.5887 -111.995 5.76536 GPRESSAVG: 3016000 6.83603 -41.2401 11.1224 -42.4791 -21.1424 -113.116 10.9265 -109.22 5.2007 TIMING: 3016000 CPU: 9597.4, 0.00313473/step Wall: 9597.4, 0.00313473/step, 1.72758 hours remaining, 234.519531 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: 3016000 3996.5741 20596.9182 14478.6696 266.9747 -202817.0657 2172.7216 0.0000 0.0000 51881.4947 -109423.7128 298.1637 -161305.2075 -109073.5296 298.8351 -216.5577 -191.2583 763644.4423 -3.1792 -3.0352 PRESSURE: 3016200 134.514 -154.523 -46.3806 -154.523 -25.4374 -18.9583 -46.3807 -18.9578 -330.806 GPRESSURE: 3016200 72.4916 -223.486 -135.49 -125.546 40.5425 -29.3709 -103 -73.475 -243.645 PRESSAVG: 3016200 1.12933 -19.4154 0.256482 -19.4153 -5.56649 43.1684 0.25655 43.1684 -3.83884 GPRESSAVG: 3016200 0.0363413 -18.9031 2.08252 -20.0945 -6.01166 43.3949 -0.147841 41.1406 -1.58033 TIMING: 3016200 CPU: 9598.03, 0.00314077/step Wall: 9598.03, 0.00314077/step, 1.73074 hours remaining, 234.507812 MB of memory in use. ENERGY: 3016200 4011.2323 20346.3403 14634.3350 260.5474 -203056.1125 2476.6713 0.0000 0.0000 51880.7972 -109446.1889 298.1597 -161326.9861 -109090.6623 298.8100 -73.9101 -43.5369 761198.9016 -2.7587 -2.5185 LDB: ============= START OF LOAD BALANCING ============== 9610.45 LDB: ============== END OF LOAD BALANCING =============== 9610.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9610.45 LDB: ============= START OF LOAD BALANCING ============== 9610.76 LDB: Largest compute 7075 load 0.032290 is 16.5% of average load 0.195618 LDB: Average compute 0.004375 is 2.2% of average load 0.195618 LDB: TIME 9610.76 LOAD: AVG 0.195618 MAX 0.220296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.668 MB LDB: TIME 9610.77 LOAD: AVG 0.195618 MAX 0.220296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: TIME 9610.77 LOAD: AVG 0.195618 MAX 0.217164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: ============== END OF LOAD BALANCING =============== 9610.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9610.77 PRESSURE: 3016400 -142.76 -142.95 -103.229 -142.95 -282.405 184.309 -103.229 184.309 -589.2 GPRESSURE: 3016400 -69.0503 -41.6659 -139.489 -67.7317 -234.542 167.419 -61.3644 163.304 -616.786 PRESSAVG: 3016400 -24.1242 -58.5197 6.27938 -58.5198 28.3591 2.69881 6.27943 2.69885 -2.45658 GPRESSAVG: 3016400 -22.8744 -56.5829 4.01855 -58.7267 28.4723 1.59105 7.39289 3.09915 -3.61123 TIMING: 3016400 CPU: 9598.67, 0.00317618/step Wall: 9598.67, 0.00317617/step, 1.75007 hours remaining, 232.445312 MB of memory in use. ENERGY: 3016400 3988.4256 20343.4542 14485.6095 236.5607 -203041.2126 2450.5797 0.0000 0.0000 52167.0487 -109369.5343 299.8047 -161536.5830 -108993.5390 299.1577 -338.1215 -306.7928 762087.8634 0.5928 0.6622 PRESSURE: 3016600 -35.5474 23.2593 -201.974 23.259 -151.864 -254.383 -201.974 -254.383 -94.1522 GPRESSURE: 3016600 -80.5144 18.4365 -158.702 7.92904 -119.365 -189.04 -193.005 -187.717 9.51937 PRESSAVG: 3016600 -41.129 9.19066 -35.9684 9.19074 49.2875 -29.8169 -35.9684 -29.817 19.1635 GPRESSAVG: 3016600 -41.7462 7.46897 -35.0954 10.6419 49.3088 -30.9101 -35.7615 -28.1121 19.7177 TIMING: 3016600 CPU: 9599.29, 0.00310776/step Wall: 9599.29, 0.00310776/step, 1.7122 hours remaining, 232.644531 MB of memory in use. ENERGY: 3016600 4038.5398 20571.0658 14448.8738 223.2689 -203098.8179 2344.1250 0.0000 0.0000 51987.2701 -109485.6745 298.7716 -161472.9446 -109126.7228 299.1564 -93.8546 -63.4534 762357.1790 9.1074 9.0935 PRESSURE: 3016800 -373.363 -170.671 68.9341 -170.672 21.1766 -126.071 68.9348 -126.071 -246.808 GPRESSURE: 3016800 -306.29 -158.381 87.1257 -132.401 25.3783 -81.6802 38.3176 -103.331 -244.054 PRESSAVG: 3016800 20.94 -2.22899 -83.5002 -2.22894 -29.6897 -43.3106 -83.5002 -43.3106 -13.6383 GPRESSAVG: 3016800 21.3222 -2.97002 -82.3038 0.997569 -30.3237 -41.4424 -83.4434 -45.2689 -14.0447 TIMING: 3016800 CPU: 9599.91, 0.00312607/step Wall: 9599.91, 0.00312606/step, 1.72211 hours remaining, 232.644531 MB of memory in use. ENERGY: 3016800 3926.1481 20622.7729 14496.5590 250.9073 -203148.2979 2454.4542 0.0000 0.0000 52020.1446 -109377.3120 298.9605 -161397.4566 -109027.1084 299.3822 -199.6649 -174.9886 761663.0073 -7.4627 -7.6820 PRESSURE: 3017000 -124.588 15.9606 207.575 15.9607 -17.8213 169.466 207.576 169.465 -331.75 GPRESSURE: 3017000 -145.917 134.552 217.199 33.7895 72.3613 206.121 75.0474 42.2729 -302.751 PRESSAVG: 3017000 -13.3993 -12.5259 -12.5129 -12.5258 -11.2155 3.06867 -12.5128 3.06873 17.9044 GPRESSAVG: 3017000 -12.9967 -13.157 -14.0022 -15.4869 -11.3124 3.75445 -14.6034 2.61684 17.4742 TIMING: 3017000 CPU: 9600.54, 0.00312305/step Wall: 9600.54, 0.00312305/step, 1.72028 hours remaining, 232.644531 MB of memory in use. ENERGY: 3017000 4008.0978 20640.8691 14535.0366 234.9623 -203211.1369 2415.8542 0.0000 0.0000 51854.4349 -109521.8821 298.0081 -161376.3169 -109162.5140 298.8167 -158.0533 -125.4354 760813.2516 -2.2368 -2.2783 PRESSURE: 3017200 -324.574 188.752 -136.618 188.751 97.2669 -88.2446 -136.617 -88.2444 -167.579 GPRESSURE: 3017200 -203.59 71.5635 -82.2715 211.412 20.2096 -94.6547 -35.7718 -121.983 -107.969 PRESSAVG: 3017200 -29.7328 -5.85659 -12.4679 -5.85655 58.1686 24.9626 -12.4679 24.9626 -5.05608 GPRESSAVG: 3017200 -28.728 -3.09223 -13.1594 -7.6753 57.5404 25.6732 -12.4058 25.1028 -5.05545 TIMING: 3017200 CPU: 9601.16, 0.00313465/step Wall: 9601.16, 0.00313465/step, 1.72649 hours remaining, 232.644531 MB of memory in use. ENERGY: 3017200 4022.5287 20527.6694 14565.1257 239.5938 -203454.5849 2412.8486 0.0000 0.0000 52090.5605 -109596.2581 299.3652 -161686.8187 -109232.9414 299.6491 -131.6285 -97.1165 759267.0278 7.7932 7.9190 PRESSURE: 3017400 111.737 -55.2752 317.006 -55.2755 -49.9238 -238.229 317.006 -238.228 -230.244 GPRESSURE: 3017400 94.4355 -194.347 336.93 -45.2456 7.16464 -277.207 440.843 -18.7491 -177.319 PRESSAVG: 3017400 -50.1483 9.43256 -16.1856 9.43263 13.1712 7.51745 -16.1857 7.51744 -20.0702 GPRESSAVG: 3017400 -52.0892 5.65065 -15.6081 10.8688 14.8351 6.63951 -13.0872 7.70707 -19.3649 TIMING: 3017400 CPU: 9601.79, 0.00312459/step Wall: 9601.79, 0.00312459/step, 1.72078 hours remaining, 232.644531 MB of memory in use. ENERGY: 3017400 3947.1542 20525.3326 14504.5963 242.1871 -203252.6499 2694.3634 0.0000 0.0000 52027.8843 -109311.1320 299.0050 -161339.0163 -108939.8886 299.4770 -56.1437 -25.2397 760714.4290 -19.0158 -18.8730 PRESSURE: 3017600 -374.986 -230.833 192.306 -230.833 26.0936 -258.585 192.308 -258.585 111.279 GPRESSURE: 3017600 -220.02 -199.217 227.629 -259.057 -60.2251 -298.575 35.0503 42.031 119.258 PRESSAVG: 3017600 -3.54136 -6.57224 8.92303 -6.57227 4.16412 -20.3479 8.92305 -20.3479 11.1407 GPRESSAVG: 3017600 -3.08408 -5.79774 9.22592 -6.70667 4.78078 -19.9021 6.29957 -20.9182 10.4561 TIMING: 3017600 CPU: 9602.41, 0.00312279/step Wall: 9602.41, 0.00312279/step, 1.71962 hours remaining, 232.644531 MB of memory in use. ENERGY: 3017600 4041.9183 20547.5620 14496.6402 232.0704 -203206.8756 2646.6788 0.0000 0.0000 52011.1208 -109230.8851 298.9086 -161242.0059 -108864.6200 299.6283 -79.2045 -53.6624 761712.9137 3.9212 4.0509 PRESSURE: 3017800 -204.189 104.913 -87.9008 104.913 1.80276 298.057 -87.9012 298.056 111.96 GPRESSURE: 3017800 -150.438 91.823 -115.446 -15.4601 -4.96342 276.811 -177.901 125.692 141.49 PRESSAVG: 3017800 -4.54115 -34.0666 18.7629 -34.0666 5.57604 -69.2313 18.7628 -69.2311 -8.85427 GPRESSAVG: 3017800 -4.22458 -34.7993 16.4836 -34.315 5.40047 -68.4254 20.769 -70.7874 -9.04553 TIMING: 3017800 CPU: 9603.04, 0.00311672/step Wall: 9603.04, 0.00311672/step, 1.7161 hours remaining, 232.644531 MB of memory in use. ENERGY: 3017800 3952.6310 20571.0627 14486.5291 260.7228 -203189.8787 2374.5495 0.0000 0.0000 52087.5690 -109456.8146 299.3480 -161544.3835 -109094.6615 299.2828 -30.1418 -4.6371 761512.5211 -2.6065 -2.6232 PRESSURE: 3018000 28.1914 18.1772 116.224 18.1773 64.3719 -66.2006 116.224 -66.1998 -113.368 GPRESSURE: 3018000 7.14849 92.45 65.2499 33.8344 61.2047 -87.7903 140.482 -1.27199 -32.1538 PRESSAVG: 3018000 -22.5423 27.7743 -66.9099 27.7742 -2.44564 26.5448 -66.9098 26.5448 -13.8679 GPRESSAVG: 3018000 -22.8513 30.7207 -63.9342 25.6115 -2.5482 24.4686 -68.8195 28.6635 -13.6722 TIMING: 3018000 CPU: 9603.66, 0.00311936/step Wall: 9603.66, 0.00311936/step, 1.71738 hours remaining, 232.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3018000 4005.6731 20597.7056 14411.3346 253.2241 -203274.0733 2436.9035 0.0000 0.0000 51927.1250 -109642.1074 298.4259 -161569.2324 -109285.8279 299.7619 -6.9348 12.0665 760311.7708 -12.9519 -13.0239 PRESSURE: 3018200 -90.9445 -75.2812 179.146 -75.2815 41.1034 -36.7602 179.146 -36.7615 -210.304 GPRESSURE: 3018200 8.60556 -21.4073 161.451 -69.4128 -18.3286 -45.0183 127.305 29.6292 -174.969 PRESSAVG: 3018200 15.0599 -45.4612 -17.2318 -45.4612 44.0946 -53.9027 -17.2318 -53.9027 10.46 GPRESSAVG: 3018200 14.8979 -48.3427 -18.111 -42.012 43.7776 -54.073 -14.9888 -52.7028 11.3033 TIMING: 3018200 CPU: 9604.29, 0.00313764/step Wall: 9604.29, 0.00313764/step, 1.72727 hours remaining, 232.644531 MB of memory in use. ENERGY: 3018200 4052.9458 20500.1273 14404.3572 273.7194 -203880.1205 2635.1368 0.0000 0.0000 52136.3516 -109877.4823 299.6283 -162013.8339 -109512.2745 299.1020 -86.7151 -61.5642 758848.8592 23.2048 23.3262 PRESSURE: 3018400 -106.561 -20.9216 26.4968 -20.9226 -349.882 82.4569 26.4969 82.4567 -20.768 GPRESSURE: 3018400 -62.6781 -25.9388 127.911 26.3574 -238.059 50.9006 -42.3717 148.798 -76.9922 PRESSAVG: 3018400 3.08656 -53.8304 -43.774 -53.8304 -3.39118 21.0165 -43.774 21.0163 -9.97965 GPRESSAVG: 3018400 3.66553 -53.1907 -43.3054 -54.8803 -3.61442 22.3425 -45.246 21.0384 -10.7486 TIMING: 3018400 CPU: 9604.91, 0.00311571/step Wall: 9604.91, 0.00311571/step, 1.71502 hours remaining, 232.644531 MB of memory in use. ENERGY: 3018400 4004.1218 20509.0403 14453.1974 251.0020 -203467.4487 2323.5433 0.0000 0.0000 52229.8028 -109696.7411 300.1654 -161926.5438 -109321.2757 298.9545 -159.0704 -125.9098 759781.1653 -3.4281 -3.5658 PRESSURE: 3018600 76.0264 24.1841 -153.077 24.184 178.259 -146.268 -153.078 -146.267 320.74 GPRESSURE: 3018600 57.0252 -91.3294 -201.797 36.1055 248.372 -126.029 -135.797 -252.922 336.227 PRESSAVG: 3018600 25.3092 -14.6644 23.7731 -14.6645 9.39985 -13.3684 23.7731 -13.3684 -0.804775 GPRESSAVG: 3018600 25.3792 -12.1556 22.9621 -15.9056 8.48398 -11.8923 23.8497 -16.1532 -0.406714 TIMING: 3018600 CPU: 9605.53, 0.0031103/step Wall: 9605.53, 0.0031103/step, 1.71188 hours remaining, 232.644531 MB of memory in use. ENERGY: 3018600 4043.9506 20632.6511 14490.3277 250.2230 -203578.3518 2456.7850 0.0000 0.0000 52212.3060 -109492.1085 300.0648 -161704.4144 -109121.4017 299.2229 191.6751 213.8747 759253.5158 11.3014 11.1522 PRESSURE: 3018800 -21.5872 -11.7384 206.98 -11.7392 30.368 84.1505 206.98 84.1504 309.454 GPRESSURE: 3018800 3.65708 84.2998 240.568 -65.8607 63.9034 20.181 312.537 124.388 332.994 PRESSAVG: 3018800 -22.1962 -25.4481 -24.3224 -25.4481 -13.8497 15.1549 -24.3225 15.1549 -5.94123 GPRESSAVG: 3018800 -23.5666 -27.0666 -25.0339 -25.674 -13.1516 12.5364 -25.2542 16.9346 -5.5839 TIMING: 3018800 CPU: 9606.16, 0.00312923/step Wall: 9606.16, 0.00312923/step, 1.72212 hours remaining, 232.644531 MB of memory in use. ENERGY: 3018800 4012.3425 20495.1331 14437.6240 260.2917 -203693.3694 2767.0620 0.0000 0.0000 52324.9939 -109395.9222 300.7125 -161720.9161 -109031.4422 299.4459 106.0781 133.5183 762056.5220 -13.9957 -14.1007 PRESSURE: 3019000 -12.8161 11.6919 198.879 11.6918 -63.2916 -139.737 198.879 -139.736 30.6891 GPRESSURE: 3019000 57.3221 -38.6975 219.145 -47.1069 -99.4256 -140.005 205.723 -228.872 71.4132 PRESSAVG: 3019000 -24.159 -25.7884 -27.967 -25.7883 23.7455 -5.43365 -27.967 -5.43357 -0.854208 GPRESSAVG: 3019000 -22.3481 -27.442 -26.8623 -25.8073 23.1645 -4.1566 -24.3619 -7.27225 -2.51654 TIMING: 3019000 CPU: 9606.78, 0.00312261/step Wall: 9606.78, 0.00312261/step, 1.7183 hours remaining, 232.644531 MB of memory in use. ENERGY: 3019000 4000.3595 20529.2209 14506.8463 265.4127 -203813.2570 2858.7484 0.0000 0.0000 51919.5616 -109733.1075 298.3824 -161652.6691 -109376.9695 299.2408 -15.1395 9.7699 761344.5331 -0.4226 -0.5667 PRESSURE: 3019200 244.827 162.764 100.807 162.765 -14.1263 11.8028 100.808 11.8024 138.141 GPRESSURE: 3019200 207.705 45.6895 159.444 -51.4752 148.571 52.5323 104.146 -4.26929 106.253 PRESSAVG: 3019200 -40.742 -71.0726 28.3372 -71.0727 28.3302 9.71214 28.3371 9.71219 20.3913 GPRESSAVG: 3019200 -41.2191 -68.9095 28.571 -71.738 27.8933 9.32409 26.7555 9.2002 21.4731 TIMING: 3019200 CPU: 9607.41, 0.00312926/step Wall: 9607.41, 0.00312926/step, 1.72179 hours remaining, 232.644531 MB of memory in use. ENERGY: 3019200 3941.2280 20447.4912 14529.9096 254.0565 -203614.6287 2603.8146 0.0000 0.0000 52158.2065 -109679.9224 299.7539 -161838.1288 -109318.1689 298.6143 122.9474 154.1766 761266.4275 2.6598 2.7158 PRESSURE: 3019400 0.0633079 -14.6075 114.299 -14.6081 -14.5175 -290.046 114.298 -290.047 -20.7773 GPRESSURE: 3019400 33.1849 7.9711 146.298 94.0011 11.6725 -342.103 23.1443 -308.451 5.43536 PRESSAVG: 3019400 37.1448 -25.3546 49.0045 -25.3547 0.878453 -47.8731 49.0044 -47.8731 -4.16243 GPRESSAVG: 3019400 35.4507 -24.9657 48.0568 -24.346 2.49613 -48.0663 48.8486 -45.2161 -3.7004 TIMING: 3019400 CPU: 9608.04, 0.00312722/step Wall: 9608.04, 0.00312722/step, 1.72049 hours remaining, 232.644531 MB of memory in use. ENERGY: 3019400 4058.5841 20537.8841 14454.1356 254.3969 -203271.7502 2671.7708 0.0000 0.0000 51762.2125 -109532.7662 297.4781 -161294.9787 -109166.0286 299.1222 -11.7438 16.7642 762177.8662 11.2869 11.4155 PRESSURE: 3019600 -155.148 -103.024 -163.16 -103.024 -131.978 218.421 -163.16 218.421 178.624 GPRESSURE: 3019600 -88.3521 -6.16527 -108.809 -170.585 -116.003 96.8403 -177.188 219.099 184.073 PRESSAVG: 3019600 -42.0321 -2.31716 -28.0214 -2.3172 25.687 -10.7933 -28.0215 -10.7932 6.30033 GPRESSAVG: 3019600 -41.2533 -1.65813 -27.837 -2.38206 24.5848 -9.82162 -27.7262 -10.2589 6.86514 TIMING: 3019600 CPU: 9608.66, 0.00312122/step Wall: 9608.66, 0.00312122/step, 1.71702 hours remaining, 232.644531 MB of memory in use. ENERGY: 3019600 4015.9806 20487.3176 14535.7266 247.7608 -203419.2140 2659.4160 0.0000 0.0000 51869.9595 -109603.0528 298.0974 -161473.0124 -109239.6352 298.8638 -36.1671 -6.7607 762996.2457 -3.3483 -3.2678 PRESSURE: 3019800 -112.334 68.1343 -60.9089 68.1336 -265.736 205.415 -60.9088 205.414 -237.036 GPRESSURE: 3019800 -98.6342 117.607 -49.4493 63.3377 -227.442 314.22 -159.718 242.148 -212.754 PRESSAVG: 3019800 -13.5946 7.74733 0.0481513 7.74735 12.3951 28.1498 0.0481472 28.1498 19.8316 GPRESSAVG: 3019800 -12.782 7.30853 0.168924 9.4249 12.1112 27.7568 -1.04303 25.0893 19.4541 TIMING: 3019800 CPU: 9609.28, 0.0031228/step Wall: 9609.28, 0.0031228/step, 1.71771 hours remaining, 232.644531 MB of memory in use. ENERGY: 3019800 3895.0513 20616.4369 14436.7235 257.7511 -202801.4164 2050.2467 0.0000 0.0000 52088.1836 -109457.0233 299.3515 -161545.2069 -109102.3225 299.0066 -205.0352 -179.6101 762471.1955 6.2107 6.2611 PRESSURE: 3020000 218.369 -28.1744 133.978 -28.1748 -15.1993 -119.289 133.978 -119.288 -384.098 GPRESSURE: 3020000 224.169 -68.5226 67.8055 28.5898 84.9319 -86.4881 88.6036 -80.6405 -418.661 PRESSAVG: 3020000 24.7923 10.1907 -5.17909 10.1907 -32.2328 34.0783 -5.17914 34.0784 -7.64315 GPRESSAVG: 3020000 25.0562 10.3426 -6.66629 10.7137 -31.0249 33.4268 -2.80924 37.2998 -9.08932 TIMING: 3020000 CPU: 9609.91, 0.00311669/step Wall: 9609.91, 0.00311669/step, 1.71418 hours remaining, 232.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3020000 3986.0577 20484.7648 14429.7598 240.4211 -203290.7428 2412.9584 0.0000 0.0000 52226.1032 -109510.6778 300.1441 -161736.7810 -109140.9895 299.3267 -60.3094 -36.5203 760274.7032 -5.0279 -5.0193 PRESSURE: 3020200 160.646 -59.6664 -16.8068 -59.6655 -47.5818 -94.4327 -16.8059 -94.4334 304.109 GPRESSURE: 3020200 145.731 -3.71599 -8.40312 -105.078 2.39733 -34.5345 34.6667 -174.165 337.299 PRESSAVG: 3020200 35.9438 -15.237 -17.2103 -15.2369 -8.75699 -23.2919 -17.2104 -23.2919 -1.4577 GPRESSAVG: 3020200 35.9925 -13.8842 -16.805 -15.8998 -9.25807 -22.6745 -17.2481 -25.9228 -0.661741 TIMING: 3020200 CPU: 9610.53, 0.00311657/step Wall: 9610.53, 0.00311658/step, 1.71394 hours remaining, 232.644531 MB of memory in use. ENERGY: 3020200 3956.1854 20441.5497 14558.0052 245.3707 -203389.5779 2633.1202 0.0000 0.0000 52272.4507 -109282.8959 300.4105 -161555.3466 -108912.6758 299.6439 139.0578 161.8091 759426.2081 8.5764 8.6909 LDB: ============= START OF LOAD BALANCING ============== 9622.95 LDB: ============== END OF LOAD BALANCING =============== 9622.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9622.95 LDB: ============= START OF LOAD BALANCING ============== 9623.26 LDB: Largest compute 7076 load 0.030394 is 15.5% of average load 0.195601 LDB: Average compute 0.004367 is 2.2% of average load 0.195601 LDB: TIME 9623.27 LOAD: AVG 0.195601 MAX 0.216999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.406 MB LDB: TIME 9623.27 LOAD: AVG 0.195601 MAX 0.216999 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.609 MB LDB: TIME 9623.27 LOAD: AVG 0.195601 MAX 0.216999 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.609 MB LDB: ============== END OF LOAD BALANCING =============== 9623.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9623.28 PRESSURE: 3020400 472.207 -49.337 -46.2708 -49.337 -175.373 198.741 -46.2714 198.738 -5.07119 GPRESSURE: 3020400 429.525 -89.5141 43.0986 -85.5061 -65.4299 132.604 -87.6688 87.0939 10.713 PRESSAVG: 3020400 22.5383 24.7422 -51.7201 24.7422 10.8245 6.87413 -51.7201 6.87413 5.86541 GPRESSAVG: 3020400 22.2683 24.0166 -49.8067 23.2909 9.89119 6.40863 -55.0938 7.09715 7.32839 TIMING: 3020400 CPU: 9611.17, 0.00319419/step Wall: 9611.17, 0.00319419/step, 1.75645 hours remaining, 235.863281 MB of memory in use. ENERGY: 3020400 3964.7725 20537.3096 14453.9892 236.2715 -203374.3506 2697.2142 0.0000 0.0000 52343.6260 -109141.1676 300.8195 -161484.7936 -108776.4598 300.5472 97.2540 124.9359 760151.9928 13.0761 13.1626 PRESSURE: 3020600 210.957 148.046 -87.8694 148.046 261.107 35.7205 -87.869 35.7208 130.935 GPRESSURE: 3020600 176.501 178.637 -40.6912 125.876 380.505 170.472 -111.236 -55.3735 120.603 PRESSAVG: 3020600 10.7419 -27.2424 -18.862 -27.2425 5.99515 -24.3781 -18.8619 -24.3781 2.98992 GPRESSAVG: 3020600 8.09828 -28.1213 -18.8499 -27.1762 8.37156 -22.8699 -17.2278 -24.732 2.8094 TIMING: 3020600 CPU: 9611.8, 0.00313834/step Wall: 9611.8, 0.00313834/step, 1.72556 hours remaining, 235.933594 MB of memory in use. ENERGY: 3020600 3979.1919 20605.1016 14487.8854 238.4636 -203467.7685 2499.5617 0.0000 0.0000 52313.7372 -109343.8271 300.6478 -161657.5644 -108976.4393 300.7517 200.9996 225.8696 758051.3532 6.5757 6.4264 PRESSURE: 3020800 -370.162 -118.85 71.4103 -118.85 -42.4424 92.1316 71.4094 92.13 30.8742 GPRESSURE: 3020800 -291.291 -87.9577 57.9743 13.4051 -97.721 28.9558 53.2452 59.3981 99.2256 PRESSAVG: 3020800 4.92151 66.2563 25.4141 66.2564 18.9329 -70.8493 25.414 -70.8493 19.664 GPRESSAVG: 3020800 6.79831 67.3288 25.6167 67.9242 17.2252 -71.6932 25.2716 -69.4905 19.2687 TIMING: 3020800 CPU: 9612.42, 0.00313534/step Wall: 9612.42, 0.00313534/step, 1.72374 hours remaining, 235.933594 MB of memory in use. ENERGY: 3020800 3888.1544 20618.8967 14598.4774 252.8856 -202854.0614 2122.1112 0.0000 0.0000 52030.2116 -109343.3244 299.0183 -161373.5361 -108982.3151 299.9834 -127.2434 -96.5954 760278.4834 14.5061 14.4307 PRESSURE: 3021000 255.277 4.00147 -78.6542 4.00007 149.448 -329.032 -78.6545 -329.031 3.99963 GPRESSURE: 3021000 288.716 53.704 -106.688 3.01196 169.677 -451.094 -37.369 -311.104 31.3751 PRESSAVG: 3021000 -6.04815 -18.0288 16.2538 -18.0288 7.52105 -53.5108 16.2538 -53.5109 17.6884 GPRESSAVG: 3021000 -6.22277 -18.1885 13.931 -18.1031 7.29527 -54.5634 17.3416 -53.8292 17.39 TIMING: 3021000 CPU: 9613.05, 0.00313913/step Wall: 9613.05, 0.00313913/step, 1.72565 hours remaining, 235.933594 MB of memory in use. ENERGY: 3021000 3985.2185 20674.0995 14563.4217 264.8976 -203256.3337 2434.0412 0.0000 0.0000 52110.0735 -109224.5816 299.4773 -161334.6552 -108863.9138 300.6185 136.2415 163.2560 760977.6074 6.3871 6.1542 PRESSURE: 3021200 174.291 100.157 199.934 100.156 144.865 148.594 199.934 148.595 300.315 GPRESSURE: 3021200 230.596 -89.1013 121.895 92.0297 91.8618 134.771 176.067 57.3628 374.297 PRESSAVG: 3021200 17.7333 -49.8216 3.85243 -49.8217 -6.82361 -15.3806 3.85246 -15.3808 -10.5924 GPRESSAVG: 3021200 19.4223 -50.6483 5.63988 -52.3448 -8.21142 -12.8592 2.00021 -17.4408 -11.3681 TIMING: 3021200 CPU: 9613.68, 0.00312665/step Wall: 9613.68, 0.00312665/step, 1.71862 hours remaining, 235.933594 MB of memory in use. ENERGY: 3021200 3969.4133 20624.8952 14464.8049 252.3501 -203168.2687 2305.4369 0.0000 0.0000 52308.9139 -109242.4543 300.6200 -161551.3682 -108879.3048 299.6438 206.4903 232.2517 759411.9616 0.1057 -0.0524 PRESSURE: 3021400 -90.4357 -40.5411 1.05316 -40.541 -326.869 -242.405 1.05412 -242.404 29.8073 GPRESSURE: 3021400 -107.73 -108.396 52.8231 158.757 -282.324 -205.65 58.2078 -63.978 91.5183 PRESSAVG: 3021400 21.0754 -33.9139 60.6889 -33.9138 -29.5347 -9.93306 60.6889 -9.93305 0.727754 GPRESSAVG: 3021400 18.0687 -34.3579 61.6757 -31.4048 -26.7161 -10.7688 60.3916 -8.54312 1.42244 TIMING: 3021400 CPU: 9614.3, 0.00312389/step Wall: 9614.3, 0.00312389/step, 1.71693 hours remaining, 235.933594 MB of memory in use. ENERGY: 3021400 3958.4733 20533.0869 14443.6204 260.3774 -203197.0737 2234.9372 0.0000 0.0000 52391.3556 -109375.2229 301.0938 -161766.5785 -109016.0049 300.4416 -129.1659 -99.5118 760692.7405 -2.5772 -2.4083 PRESSURE: 3021600 173.379 182.993 115.664 182.993 297.494 -188.454 115.664 -188.452 86.5465 GPRESSURE: 3021600 254.467 138.471 178.498 86.6067 335.223 -139.56 -10.091 -1.79159 60.5876 PRESSAVG: 3021600 32.3593 9.21651 35.1701 9.21652 -6.5543 -32.3524 35.17 -32.3523 -0.923136 GPRESSAVG: 3021600 33.8022 10.6672 34.1432 5.37257 -7.96583 -33.3473 35.9234 -31.3264 -1.04818 TIMING: 3021600 CPU: 9614.93, 0.00314178/step Wall: 9614.93, 0.00314178/step, 1.72658 hours remaining, 235.933594 MB of memory in use. ENERGY: 3021600 3951.1362 20484.1017 14480.6697 258.7126 -203260.8079 2551.9993 0.0000 0.0000 52011.6039 -109522.5845 298.9114 -161534.1884 -109162.5150 299.9900 185.8063 216.7592 760406.6665 8.2940 8.2627 PRESSURE: 3021800 -54.7552 -41.5807 -144.628 -41.5819 -87.0532 43.9978 -144.628 43.996 -9.37086 GPRESSURE: 3021800 -47.1577 5.15204 -111.343 31.0345 67.2683 16.3635 -152.387 46.6193 -73.2346 PRESSAVG: 3021800 4.15278 35.5153 15.9491 35.5153 44.5262 1.42575 15.9491 1.42577 12.5516 GPRESSAVG: 3021800 3.87544 35.3244 16.0126 36.3839 44.8931 2.33106 17.2445 1.08066 12.9715 TIMING: 3021800 CPU: 9615.56, 0.00314694/step Wall: 9615.56, 0.00314694/step, 1.72925 hours remaining, 235.933594 MB of memory in use. ENERGY: 3021800 4005.2680 20670.8185 14536.7281 225.9254 -203896.4829 2670.1157 0.0000 0.0000 52313.9944 -109473.6327 300.6492 -161787.6271 -109093.7807 299.8277 -50.3931 -17.7080 760852.9364 20.4102 20.5800 PRESSURE: 3022000 -12.3053 42.6316 -159.513 42.6327 243.012 -24.915 -159.513 -24.9155 41.5008 GPRESSURE: 3022000 44.1484 57.9688 -29.3205 11.5398 280.513 -47.7226 -126.315 -35.5784 -3.83631 PRESSAVG: 3022000 -19.9953 29.6955 -2.79048 29.6955 1.52919 -9.30807 -2.79045 -9.30804 -2.21552 GPRESSAVG: 3022000 -18.9241 27.9183 -0.727405 31.2283 0.524829 -10.155 -4.55681 -9.78986 -2.03235 TIMING: 3022000 CPU: 9616.19, 0.00314232/step Wall: 9616.19, 0.00314232/step, 1.72653 hours remaining, 235.933594 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: 3022000 4018.2638 20621.6800 14549.1406 258.7505 -203149.4475 2192.0305 0.0000 0.0000 51941.3638 -109568.2184 298.5077 -161509.5821 -109219.9539 299.5693 90.7359 106.9418 760223.0208 -6.8939 -6.8105 PRESSURE: 3022200 86.3019 -185.09 -78.1185 -185.09 53.8631 215.021 -78.1183 215.021 70.0111 GPRESSURE: 3022200 103.732 -236.555 -84.1792 -114.173 96.6436 164.53 -183.665 169.238 113.688 PRESSAVG: 3022200 41.0655 -8.14432 -42.3013 -8.1443 -20.1856 54.9821 -42.3013 54.9821 -14.895 GPRESSAVG: 3022200 40.6848 -5.83262 -45.7264 -6.49393 -19.3022 54.4555 -40.1066 52.7082 -15.0181 TIMING: 3022200 CPU: 9616.82, 0.00314158/step Wall: 9616.82, 0.00314158/step, 1.72595 hours remaining, 235.933594 MB of memory in use. ENERGY: 3022200 3955.8879 20488.8741 14476.8631 243.0326 -203430.7240 2454.0490 0.0000 0.0000 52114.3896 -109697.6277 299.5021 -161812.0173 -109333.7010 299.2446 70.0587 104.6878 759240.9379 1.9950 2.1215 PRESSURE: 3022400 -283.607 43.7667 118.836 43.7669 87.1316 238.859 118.836 238.858 -353.6 GPRESSURE: 3022400 -154.012 90.8723 43.3437 36.5306 13.6809 245.14 101.623 236.321 -307.608 PRESSAVG: 3022400 30.9752 28.3617 -27.4384 28.3617 -7.63329 -22.4272 -27.4383 -22.4272 29.675 GPRESSAVG: 3022400 29.7105 27.6956 -25.7517 25.9378 -6.64411 -21.6005 -29.3897 -15.8095 29.5721 TIMING: 3022400 CPU: 9617.44, 0.00313427/step Wall: 9617.44, 0.00313426/step, 1.72176 hours remaining, 235.933594 MB of memory in use. ENERGY: 3022400 3941.6516 20548.5014 14503.4311 263.3805 -203493.0110 2383.2861 0.0000 0.0000 52181.4476 -109671.3128 299.8875 -161852.7603 -109303.7793 299.3822 -183.3584 -149.3130 760046.3063 17.6723 17.5462 PRESSURE: 3022600 136.497 9.50749 -321.89 9.50743 76.2631 -276.686 -321.889 -276.686 -300.534 GPRESSURE: 3022600 190.528 -51.5508 -220.793 26.4638 56.4088 -284.052 -336.018 -280.309 -246.607 PRESSAVG: 3022600 4.34353 -60.0599 -52.4477 -60.0599 -13.9609 -63.6114 -52.4476 -63.6114 -4.81591 GPRESSAVG: 3022600 5.10609 -62.3037 -53.7104 -60.1763 -15.3921 -64.0427 -52.2194 -67.8192 -4.45755 TIMING: 3022600 CPU: 9618.07, 0.00313172/step Wall: 9618.07, 0.00313172/step, 1.72019 hours remaining, 235.933594 MB of memory in use. ENERGY: 3022600 3924.4422 20335.9826 14526.3418 241.2793 -203325.1692 2339.7225 0.0000 0.0000 52199.6128 -109757.7880 299.9919 -161957.4008 -109393.0552 299.5076 -29.2582 0.1102 758294.6315 -4.8111 -4.9145 PRESSURE: 3022800 69.2136 -43.3535 7.9034 -43.3526 242.606 105.541 7.90316 105.541 68.4102 GPRESSURE: 3022800 131.7 -93.1065 50.0076 33.047 214.178 63.7368 111.144 92.5915 117.206 PRESSAVG: 3022800 10.942 -60.9924 -56.2889 -60.9924 1.9749 -16.7731 -56.2888 -16.7731 5.77844 GPRESSAVG: 3022800 11.1173 -60.2056 -55.751 -58.6371 1.3807 -17.6167 -55.4432 -16.9297 5.89508 TIMING: 3022800 CPU: 9618.7, 0.00312545/step Wall: 9618.7, 0.00312545/step, 1.71657 hours remaining, 235.933594 MB of memory in use. ENERGY: 3022800 3987.3004 20569.6012 14559.3863 243.0192 -203424.5784 2414.2927 0.0000 0.0000 52057.5808 -109593.3978 299.1756 -161650.9786 -109240.2749 299.2889 126.7432 154.3613 759086.7292 6.2318 6.1310 PRESSURE: 3023000 358.637 -133.494 156.859 -133.495 595.297 3.54217 156.859 3.54288 -56.7179 GPRESSURE: 3023000 423.909 -67.4972 200.676 -105.268 562.838 -0.744905 61.4458 55.9586 -24.8173 PRESSAVG: 3023000 -17.0038 -45.3434 -10.7331 -45.3433 -3.69308 -107.921 -10.733 -107.921 3.08229 GPRESSAVG: 3023000 -18.1191 -42.945 -9.14117 -47.1881 -4.25109 -108.509 -12.3321 -107.709 4.11867 TIMING: 3023000 CPU: 9619.32, 0.00313098/step Wall: 9619.32, 0.00313098/step, 1.71943 hours remaining, 235.933594 MB of memory in use. ENERGY: 3023000 3976.5974 20636.8332 14532.3806 243.0279 -203793.0509 2809.3292 0.0000 0.0000 52106.9922 -109487.8905 299.4596 -161594.8827 -109121.1519 300.0845 299.0720 320.6433 759212.2438 -5.8715 -6.0838 PRESSURE: 3023200 43.0093 -78.5137 -111.224 -78.5133 -1.92777 98.0073 -111.223 98.0063 -93.2772 GPRESSURE: 3023200 40.8711 -67.9829 -77.7287 -59.4027 12.8776 52.9452 -6.45617 -1.88295 -44.6587 PRESSAVG: 3023200 -3.54278 -23.6806 -11.6931 -23.6806 16.7163 25.4529 -11.693 25.4529 -8.36219 GPRESSAVG: 3023200 -2.72629 -26.8886 -13.2804 -23.9758 16.7246 25.5724 -8.47695 25.6509 -8.62652 TIMING: 3023200 CPU: 9619.95, 0.00311974/step Wall: 9619.95, 0.00311974/step, 1.71308 hours remaining, 235.933594 MB of memory in use. ENERGY: 3023200 3931.8206 20668.6394 14491.1146 254.7637 -203237.2303 2624.3552 0.0000 0.0000 51998.5693 -109267.9675 298.8365 -161266.5368 -108908.4775 299.7973 -17.3986 3.0300 760273.2042 1.6038 1.7906 PRESSURE: 3023400 -241.99 76.712 78.3334 76.7128 19.4862 71.9067 78.3332 71.9053 157.156 GPRESSURE: 3023400 -199.247 5.38413 18.5527 8.30655 26.4451 94.8603 62.0981 134.417 185.774 PRESSAVG: 3023400 -24.6066 5.96136 15.1822 5.96134 -4.761 17.8437 15.1822 17.8437 -22.0874 GPRESSAVG: 3023400 -24.29 7.95554 15.2066 5.21525 -5.17254 16.9826 13.1246 15.8829 -22.2607 TIMING: 3023400 CPU: 9620.57, 0.0031202/step Wall: 9620.57, 0.0031202/step, 1.71316 hours remaining, 235.933594 MB of memory in use. ENERGY: 3023400 3946.4598 20672.5354 14490.2531 268.5153 -203341.9891 2482.0488 0.0000 0.0000 52154.3764 -109327.8002 299.7319 -161482.1766 -108967.8998 300.5057 -21.7826 4.3244 762951.6248 -17.1517 -17.2411 PRESSURE: 3023600 25.5984 -151.774 -149.694 -151.773 0.329155 87.8152 -149.693 87.8154 131.882 GPRESSURE: 3023600 7.90495 -67.8196 -180.014 -90.6845 52.1632 109.064 -43.7793 127.751 186.604 PRESSAVG: 3023600 -37.5904 16.9117 -14.286 16.9118 45.7319 52.058 -14.286 52.0579 -5.78796 GPRESSAVG: 3023600 -37.0543 14.6371 -12.8855 18.1394 45.3925 53.2357 -13.8971 52.2681 -5.83773 TIMING: 3023600 CPU: 9621.2, 0.00312946/step Wall: 9621.2, 0.00312946/step, 1.71807 hours remaining, 235.933594 MB of memory in use. ENERGY: 3023600 4069.5881 20495.3791 14559.3328 236.6654 -203076.5881 2256.4315 0.0000 0.0000 52112.1166 -109347.0745 299.4891 -161459.1912 -108984.7197 299.9247 52.6030 82.2239 760192.9411 0.7845 0.8335 PRESSURE: 3023800 -168.277 16.6534 72.423 16.6527 614.413 -113.699 72.4216 -113.699 -3.64072 GPRESSURE: 3023800 -44.3776 -104.949 70.6455 -2.41058 654.948 -191.928 78.1232 -25.1708 -70.8455 PRESSAVG: 3023800 -65.0698 -5.3021 -8.27958 -5.30214 92.6035 -37.7946 -8.27959 -37.7946 41.8599 GPRESSAVG: 3023800 -64.4963 -6.24787 -11.0818 -4.87746 94.0601 -39.4925 -8.38144 -36.3213 40.7263 TIMING: 3023800 CPU: 9621.82, 0.00313807/step Wall: 9621.82, 0.00313807/step, 1.72263 hours remaining, 235.933594 MB of memory in use. ENERGY: 3023800 4014.2416 20592.5125 14496.5984 264.1717 -203382.8746 2677.9247 0.0000 0.0000 52185.8391 -109151.5865 299.9127 -161337.4256 -108791.6135 300.1281 147.4983 179.9084 760433.3817 23.1312 23.4300 PRESSURE: 3024000 146.534 37.1783 -106.092 37.1789 223.419 -19.8831 -106.092 -19.8828 146.173 GPRESSURE: 3024000 190.807 100.491 -114.562 -47.811 251.202 -57.994 -112.896 29.1611 162.229 PRESSAVG: 3024000 -46.3527 1.83932 -9.85744 1.83936 27.2832 -12.7237 -9.85741 -12.7236 -5.65191 GPRESSAVG: 3024000 -48.06 4.35937 -6.25375 0.210424 27.7581 -11.344 -11.9328 -11.8601 -4.53367 TIMING: 3024000 CPU: 9622.45, 0.00314622/step Wall: 9622.45, 0.00314622/step, 1.72692 hours remaining, 235.933594 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: 3024000 3951.9513 20489.1726 14569.4621 247.1748 -203372.2974 2602.6654 0.0000 0.0000 52209.3055 -109302.5658 300.0476 -161511.8713 -108941.0938 300.1662 172.0420 201.4127 762078.8292 -8.2405 -8.2785 PRESSURE: 3024200 -134.685 -148.338 43.7491 -148.338 -159.858 70.6556 43.7499 70.6555 38.3136 GPRESSURE: 3024200 -150.948 -61.4266 20.104 -5.73342 -136.341 51.8903 8.73935 -24.3106 115.271 PRESSAVG: 3024200 -33.7497 26.6326 43.4646 26.6326 37.101 -50.5946 43.4646 -50.5947 -7.64247 GPRESSAVG: 3024200 -32.8315 24.5971 40.9459 28.019 36.6405 -49.3949 46.5948 -52.3158 -8.00385 TIMING: 3024200 CPU: 9623.08, 0.00314671/step Wall: 9623.08, 0.00314671/step, 1.72702 hours remaining, 235.933594 MB of memory in use. ENERGY: 3024200 4007.7994 20570.6673 14486.9526 235.8552 -202990.3057 2369.7686 0.0000 0.0000 52153.6057 -109165.6570 299.7275 -161319.2627 -108806.5303 299.8738 -85.4098 -57.3395 761561.2454 -1.4304 -1.3983 LDB: ============= START OF LOAD BALANCING ============== 9635.5 LDB: ============== END OF LOAD BALANCING =============== 9635.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9635.5 LDB: ============= START OF LOAD BALANCING ============== 9635.82 LDB: Largest compute 7035 load 0.030650 is 15.7% of average load 0.195630 LDB: Average compute 0.004375 is 2.2% of average load 0.195630 LDB: TIME 9635.82 LOAD: AVG 0.19563 MAX 0.217264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 9635.82 LOAD: AVG 0.19563 MAX 0.217264 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.004 MB LDB: TIME 9635.82 LOAD: AVG 0.19563 MAX 0.217264 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.004 MB LDB: ============== END OF LOAD BALANCING =============== 9635.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9635.83 PRESSURE: 3024400 -50.7973 -176.427 -117.244 -176.426 -60.9357 11.6473 -117.244 11.6482 -219.55 GPRESSURE: 3024400 -111.738 -236.642 -125.623 -225.569 78.6052 78.8709 -93.6773 -20.0059 -207.757 PRESSAVG: 3024400 -4.68088 -57.938 58.858 -57.9381 -7.99754 -28.7797 58.8581 -28.7797 -7.9635 GPRESSAVG: 3024400 -6.31267 -56.2816 60.1248 -59.5157 -7.62258 -27.6934 54.7141 -29.5484 -6.62463 TIMING: 3024400 CPU: 9623.72, 0.00320997/step Wall: 9623.72, 0.00320997/step, 1.76156 hours remaining, 233.921875 MB of memory in use. ENERGY: 3024400 3988.3737 20504.3451 14478.0052 224.6197 -203202.9109 2456.6927 0.0000 0.0000 52169.9238 -109380.9508 299.8213 -161550.8746 -109022.8465 299.5633 -110.4278 -80.2965 761894.1983 -6.8806 -6.8533 PRESSURE: 3024600 -138.136 -7.58408 148.154 -7.58392 -122.76 3.0195 148.155 3.01989 -192.789 GPRESSURE: 3024600 -53.5267 -99.7916 171.561 -4.84302 -100.663 10.2483 171.477 -60.7191 -209.786 PRESSAVG: 3024600 -38.0558 1.53817 -18.4777 1.53818 8.31137 -26.9261 -18.4778 -26.926 -4.00234 GPRESSAVG: 3024600 -37.3493 0.21748 -17.8308 3.5025 8.55989 -29.132 -15.8264 -25.8275 -5.09481 TIMING: 3024600 CPU: 9624.35, 0.00312518/step Wall: 9624.35, 0.00312518/step, 1.71486 hours remaining, 234.125000 MB of memory in use. ENERGY: 3024600 4016.9877 20366.5271 14486.7477 236.7498 -203311.7614 2382.0956 0.0000 0.0000 52195.8210 -109626.8325 299.9701 -161822.6536 -109267.8158 298.9552 -151.2282 -121.3252 761231.5388 -11.2489 -11.2948 PRESSURE: 3024800 -34.7652 -3.80334 123.905 -3.80342 46.1369 -58.8353 123.905 -58.8352 118.822 GPRESSURE: 3024800 42.3862 -67.7155 149.988 -25.3523 89.6596 -51.915 46.8653 -107.859 62.5165 PRESSAVG: 3024800 21.6509 21.0396 52.4549 21.0396 18.7383 -19.9728 52.4549 -19.9727 16.7606 GPRESSAVG: 3024800 23.232 19.4548 52.9785 19.5835 17.0669 -19.0517 51.0206 -19.3939 16.9071 TIMING: 3024800 CPU: 9624.98, 0.00315095/step Wall: 9624.98, 0.00315095/step, 1.72882 hours remaining, 234.125000 MB of memory in use. ENERGY: 3024800 4003.7278 20438.4883 14548.3828 243.5631 -203192.4196 2381.1011 0.0000 0.0000 51848.6051 -109728.5515 297.9746 -161577.1566 -109368.3000 298.4158 43.3977 64.8541 760792.6354 19.0499 19.0687 PRESSURE: 3025000 -0.579548 155.167 -207.006 155.167 60.0518 145.18 -207.006 145.181 167.36 GPRESSURE: 3025000 36.2501 230.35 -127.548 151.948 165.806 122.107 -187.997 213.231 94.7826 PRESSAVG: 3025000 -25.4702 6.72415 -3.26185 6.7241 -10.215 15.0017 -3.26193 15.0018 7.37149 GPRESSAVG: 3025000 -26.0667 7.34339 -4.14221 6.51847 -10.1279 14.7257 0.1008 14.1372 7.65332 TIMING: 3025000 CPU: 9625.61, 0.00314302/step Wall: 9625.61, 0.00314302/step, 1.7243 hours remaining, 234.125000 MB of memory in use. ENERGY: 3025000 3930.0527 20491.2139 14494.6310 240.3454 -203703.9585 2790.5272 0.0000 0.0000 52150.6713 -109606.5170 299.7106 -161757.1883 -109235.2255 298.6725 75.6106 98.9464 760056.8570 -9.4379 -9.5138 PRESSURE: 3025200 191.707 223.65 -110.711 223.649 170.253 139.3 -110.711 139.301 -107.054 GPRESSURE: 3025200 116.827 239.922 -74.4549 174.132 219.566 82.3897 -128.646 41.3975 -8.5332 PRESSAVG: 3025200 -17.0642 18.098 13.1356 18.0979 4.45214 33.8085 13.1356 33.8085 18.9046 GPRESSAVG: 3025200 -17.7784 21.1579 11.3952 17.46 4.98008 33.4997 13.0876 36.4032 18.8461 TIMING: 3025200 CPU: 9626.23, 0.00311628/step Wall: 9626.23, 0.00311628/step, 1.70945 hours remaining, 234.125000 MB of memory in use. ENERGY: 3025200 4012.1694 20501.8100 14484.1134 253.7621 -203135.8624 2374.1023 0.0000 0.0000 51840.4014 -109669.5037 297.9275 -161509.9052 -109311.3684 298.9455 84.9686 109.2864 760470.0047 2.0975 2.0159 PRESSURE: 3025400 -119.491 -71.1111 -47.1048 -71.1112 34.6874 -26.3237 -47.1046 -26.3246 218.851 GPRESSURE: 3025400 50.6136 68.215 -5.87912 -7.86782 -29.2683 -0.0333054 -81.8365 23.8354 203.347 PRESSAVG: 3025400 0.408065 -7.68225 11.5983 -7.68223 -40.9825 -13.0682 11.5983 -13.0683 21.5732 GPRESSAVG: 3025400 2.42588 -8.72701 12.9355 -8.0732 -42.8121 -13.3504 8.34781 -13.9491 21.1955 TIMING: 3025400 CPU: 9626.85, 0.00312067/step Wall: 9626.85, 0.00312067/step, 1.71169 hours remaining, 234.125000 MB of memory in use. ENERGY: 3025400 3933.7162 20363.7646 14526.8455 231.6386 -203113.5274 2402.7029 0.0000 0.0000 52013.9788 -109640.8807 298.9251 -161654.8595 -109277.2305 298.7299 44.6823 74.8974 760844.3572 -6.3337 -6.3969 PRESSURE: 3025600 376.008 29.75 -99.9644 29.7497 211.651 -200.752 -99.9645 -200.752 175.309 GPRESSURE: 3025600 311.348 -62.1266 -154.285 114.049 307.045 -236.119 -111.645 -174.389 224.863 PRESSAVG: 3025600 0.589922 -11.3513 9.93247 -11.3513 -12.9807 -28.5186 9.93239 -28.5186 -19.1239 GPRESSAVG: 3025600 -0.732101 -13.5309 10.8965 -9.12954 -11.5345 -27.7542 10.3756 -29.1177 -19.5645 TIMING: 3025600 CPU: 9627.48, 0.00311022/step Wall: 9627.48, 0.00311022/step, 1.70578 hours remaining, 234.125000 MB of memory in use. ENERGY: 3025600 3989.0187 20364.7615 14464.4620 238.5453 -203381.9220 2738.3844 0.0000 0.0000 52154.1274 -109432.6227 299.7305 -161586.7501 -109065.7100 298.7099 254.3229 281.0853 760291.9036 -10.5049 -10.6104 PRESSURE: 3025800 -406.421 -41.2164 172.452 -41.2159 -226.084 62.3205 172.453 62.3202 15.0955 GPRESSURE: 3025800 -369.107 -48.9134 155.001 88.8677 -175.77 100.305 173.096 -56.7098 36.4134 PRESSAVG: 3025800 -5.73121 -33.495 -48.3373 -33.495 -4.82554 -10.0869 -48.3373 -10.0869 -1.49183 GPRESSAVG: 3025800 -6.5035 -33.5457 -48.921 -34.1281 -5.94055 -9.98046 -47.878 -11.5302 0.526214 TIMING: 3025800 CPU: 9628.1, 0.00311295/step Wall: 9628.1, 0.00311295/step, 1.70711 hours remaining, 234.125000 MB of memory in use. ENERGY: 3025800 4066.7067 20307.7822 14489.8976 238.2944 -203338.4147 2457.3159 0.0000 0.0000 52295.7707 -109482.6473 300.5445 -161778.4179 -109102.5856 299.5924 -205.8029 -169.4876 760602.5441 -4.0162 -3.9726 PRESSURE: 3026000 -100.532 50.3156 -43.5573 50.3154 -35.8683 -81.4485 -43.5576 -81.4479 -139.963 GPRESSURE: 3026000 15.1823 -93.7028 -107.817 11.958 -45.9748 -19.6002 153.677 34.8858 -148.166 PRESSAVG: 3026000 43.9597 -13.3312 26.5928 -13.3312 -64.595 -7.19055 26.5928 -7.19062 4.78807 GPRESSAVG: 3026000 44.3489 -10.8856 25.9993 -15.7928 -64.2409 -7.62905 26.4298 -6.55459 4.56502 TIMING: 3026000 CPU: 9628.72, 0.00311949/step Wall: 9628.72, 0.00311949/step, 1.71052 hours remaining, 234.125000 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: 3026000 3971.1434 20480.2844 14497.2461 242.4235 -203308.8639 2480.0959 0.0000 0.0000 52054.9451 -109582.7254 299.1605 -161637.6705 -109212.5105 299.4982 -92.1210 -59.6530 760708.1808 -5.2824 -5.1090 PRESSURE: 3026200 -340.342 -74.8649 -68.6961 -74.8643 -239.124 69.604 -68.6966 69.6039 42.1671 GPRESSURE: 3026200 -250.685 -57.7654 -26.3832 -9.89848 -207.656 -3.01784 -63.6901 -71.9397 20.4175 PRESSAVG: 3026200 -11.2834 -21.5313 26.0853 -21.5312 -20.1532 21.1099 26.0853 21.1099 31.8771 GPRESSAVG: 3026200 -11.8642 -24.2317 26.0687 -19.8753 -20.4866 20.1932 27.6464 21.1541 31.959 TIMING: 3026200 CPU: 9629.35, 0.00313678/step Wall: 9629.35, 0.00313678/step, 1.71983 hours remaining, 234.125000 MB of memory in use. ENERGY: 3026200 3969.1227 20566.7515 14582.0964 235.6582 -203351.3186 2590.8084 0.0000 0.0000 52028.7606 -109378.1208 299.0100 -161406.8814 -109017.6392 299.1709 -179.0995 -145.9746 762469.0573 0.1468 -0.1306 PRESSURE: 3026400 -458.351 -254.943 8.19098 -254.943 -299.772 206.931 8.19037 206.931 -434.273 GPRESSURE: 3026400 -377.556 -257.562 -32.2921 -213.841 -270.474 236.226 -0.984964 119.12 -449.942 PRESSAVG: 3026400 0.765299 -27.5785 17.1067 -27.5785 15.815 53.1532 17.1068 53.1532 -8.8479 GPRESSAVG: 3026400 0.651603 -28.0765 16.8839 -26.0882 16.4981 53.6255 16.9985 52.8416 -8.89132 TIMING: 3026400 CPU: 9629.98, 0.00315121/step Wall: 9629.98, 0.00315121/step, 1.72757 hours remaining, 234.125000 MB of memory in use. ENERGY: 3026400 4042.3100 20530.4724 14484.6248 253.6910 -203337.0571 2396.0102 0.0000 0.0000 52178.7446 -109451.2041 299.8720 -161629.9486 -109079.6905 299.6575 -397.4652 -365.9908 761567.3334 2.5775 2.7528 PRESSURE: 3026600 4.97514 -42.3453 -40.5949 -42.3457 -10.8803 -151.209 -40.5946 -151.21 307.407 GPRESSURE: 3026600 11.064 -67.1688 -150.701 -94.6318 70.3205 -121.819 -82.1516 -174.079 319.599 PRESSAVG: 3026600 -20.2636 -47.3743 11.8416 -47.3743 -30.1329 7.98991 11.8416 7.98997 -2.23733 GPRESSAVG: 3026600 -20.0922 -46.6174 12.0156 -47.1541 -29.7522 10.4717 10.2053 9.50489 -2.73038 TIMING: 3026600 CPU: 9630.61, 0.00312973/step Wall: 9630.61, 0.00312973/step, 1.71561 hours remaining, 234.125000 MB of memory in use. ENERGY: 3026600 4077.1366 20464.3652 14555.9489 243.6358 -203946.4111 2912.8110 0.0000 0.0000 52287.0916 -109405.4220 300.4946 -161692.5136 -109044.1141 300.0182 100.5008 133.6611 759111.1927 -17.5446 -17.5249 PRESSURE: 3026800 -118.586 -222.262 -13.6127 -222.262 -34.743 284.258 -13.6133 284.259 -0.898106 GPRESSURE: 3026800 7.39783 -174.13 -5.6869 -189.667 -88.9479 289.952 -59.9008 105.803 5.33205 PRESSAVG: 3026800 49.4161 -55.3513 36.7484 -55.3513 -44.8135 31.2624 36.7484 31.2625 -5.07289 GPRESSAVG: 3026800 49.927 -57.436 38.0875 -54.6411 -45.3013 28.1402 37.3888 28.4673 -4.79047 TIMING: 3026800 CPU: 9631.23, 0.00310734/step Wall: 9631.23, 0.00310734/step, 1.70317 hours remaining, 234.125000 MB of memory in use. ENERGY: 3026800 4074.8710 20570.7629 14562.0347 255.9858 -203123.8756 2220.7638 0.0000 0.0000 52129.6778 -109309.7796 299.5900 -161439.4574 -108940.8500 300.1812 -51.4091 -25.4060 761829.4644 -0.1568 -0.0549 PRESSURE: 3027000 -258.031 -35.9193 49.5711 -35.9192 -293.783 61.633 49.571 61.634 74.3455 GPRESSURE: 3027000 -228.171 65.974 34.3723 -14.299 -246.651 -10.9905 -31.2158 128.35 89.0779 PRESSAVG: 3027000 19.2391 -39.0641 -6.84522 -39.0641 -58.2044 18.4726 -6.84522 18.4726 2.62663 GPRESSAVG: 3027000 18.873 -35.9688 -6.76975 -40.7461 -57.6059 19.3183 -8.41023 21.175 2.26096 TIMING: 3027000 CPU: 9631.85, 0.00311797/step Wall: 9631.85, 0.00311797/step, 1.70882 hours remaining, 234.125000 MB of memory in use. ENERGY: 3027000 3949.1847 20630.3494 14560.7988 251.7719 -202955.6256 2115.9412 0.0000 0.0000 52160.0296 -109287.5499 299.7644 -161447.5795 -108918.0159 299.6298 -159.1562 -128.5811 759157.7834 -12.1129 -12.1573 PRESSURE: 3027200 122.934 -287.699 97.6999 -287.7 256.795 -67.4235 97.6995 -67.4229 69.7437 GPRESSURE: 3027200 222.686 -191.876 87.2231 -300.711 241.763 -7.33333 20.6095 -111.116 71.2202 PRESSAVG: 3027200 39.2999 -59.2849 -8.18051 -59.2848 -27.4069 2.25399 -8.18051 2.25408 -2.32296 GPRESSAVG: 3027200 39.515 -58.5235 -10.3054 -58.2853 -27.9038 2.38885 -5.87555 0.13382 -1.91424 TIMING: 3027200 CPU: 9632.48, 0.00312153/step Wall: 9632.48, 0.00312153/step, 1.7106 hours remaining, 234.125000 MB of memory in use. ENERGY: 3027200 3965.0513 20600.5494 14522.4821 246.2938 -203573.5912 2725.5634 0.0000 0.0000 52109.1492 -109404.5019 299.4720 -161513.6512 -109039.1091 299.6656 149.8242 178.5564 761000.1842 3.1900 3.2323 PRESSURE: 3027400 -13.3826 199.58 -56.3423 199.579 -76.2937 114.293 -56.3429 114.294 180.944 GPRESSURE: 3027400 -11.8238 164.385 -37.0759 132.607 -21.9932 -0.491497 -46.4717 64.4444 209.487 PRESSAVG: 3027400 21.8974 -22.8288 -9.23498 -22.8288 -22.336 -0.213352 -9.23502 -0.213385 -6.07707 GPRESSAVG: 3027400 21.9429 -23.3604 -7.82327 -24.789 -22.2071 -1.38067 -11.6117 -0.733898 -5.86553 TIMING: 3027400 CPU: 9633.1, 0.00311665/step Wall: 9633.1, 0.00311665/step, 1.70775 hours remaining, 234.125000 MB of memory in use. ENERGY: 3027400 3991.0157 20615.0887 14514.4205 244.5952 -203228.7885 2356.7209 0.0000 0.0000 52128.6807 -109378.2667 299.5842 -161506.9474 -109019.5496 299.8763 30.4225 58.5566 759939.3309 -2.1719 -2.0432 PRESSURE: 3027600 -73.6641 -10.3278 96.8659 -10.3265 -185.813 -117.552 96.8652 -117.551 -13.7879 GPRESSURE: 3027600 -54.4379 -33.6377 157.593 -63.1513 -117.236 -244.552 -34.8285 -163.534 -13.8907 PRESSAVG: 3027600 -22.0834 24.7876 -68.6773 24.7876 -14.698 -27.6071 -68.6772 -27.6071 -10.9586 GPRESSAVG: 3027600 -22.4702 23.936 -68.7721 25.477 -13.978 -28.3383 -70.3758 -26.4818 -11.3439 TIMING: 3027600 CPU: 9633.72, 0.00310877/step Wall: 9633.72, 0.00310877/step, 1.70326 hours remaining, 234.125000 MB of memory in use. ENERGY: 3027600 4046.6516 20425.3714 14539.3409 248.2628 -203729.3193 2913.4175 0.0000 0.0000 52091.1537 -109465.1215 299.3686 -161556.2752 -109103.5850 299.6166 -91.0885 -61.8550 761147.9705 -15.9134 -15.9307 PRESSURE: 3027800 318.889 -93.3497 -112.643 -93.3498 404.254 3.08884 -112.643 3.08896 -177.372 GPRESSURE: 3027800 325.272 -58.3032 -166.461 -109.291 392.265 90.2558 -53.3142 75.8507 -79.0739 PRESSAVG: 3027800 2.17453 -30.8771 -37.6098 -30.8771 -29.511 -37.201 -37.6098 -37.201 6.55986 GPRESSAVG: 3027800 2.79016 -32.6405 -37.218 -29.5435 -29.1216 -36.216 -32.6799 -34.7633 5.7838 TIMING: 3027800 CPU: 9634.34, 0.00311426/step Wall: 9634.34, 0.00311426/step, 1.70609 hours remaining, 234.125000 MB of memory in use. ENERGY: 3027800 3982.8917 20267.6718 14493.2382 255.6566 -203668.5385 2894.3807 0.0000 0.0000 52194.2141 -109580.4854 299.9609 -161774.6994 -109211.7274 299.5134 181.9234 212.8209 760343.5324 -6.9255 -6.8492 PRESSURE: 3028000 188.488 67.6285 -17.0669 67.6284 -160.211 -100.877 -17.0678 -100.876 -162.336 GPRESSURE: 3028000 197.112 128.307 -122.377 201.828 -82.6077 -125.715 -32.9667 -7.88451 -156.989 PRESSAVG: 3028000 -14.6247 35.8391 47.1502 35.839 48.2745 -22.9449 47.1502 -22.9449 3.26645 GPRESSAVG: 3028000 -15.3697 37.2942 46.1473 35.1289 47.9821 -23.7265 44.2012 -24.8964 4.56486 TIMING: 3028000 CPU: 9634.97, 0.00311445/step Wall: 9634.97, 0.00311445/step, 1.70602 hours remaining, 234.125000 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: 3028000 3996.0415 20548.7446 14509.7396 235.0323 -203178.7893 2433.2713 0.0000 0.0000 51958.2946 -109497.6653 298.6050 -161455.9599 -109141.2093 299.3091 -44.6864 -14.1616 759315.3857 12.3054 12.3924 PRESSURE: 3028200 475.287 -8.94852 24.7286 -8.94727 407.64 156.651 24.7277 156.651 497.56 GPRESSURE: 3028200 507.786 -164.164 21.2274 2.84981 385.947 120.617 99.1846 -72.5298 566.697 PRESSAVG: 3028200 -65.37 -10.7019 -44.7035 -10.7019 115.666 12.1454 -44.7035 12.1454 28.7725 GPRESSAVG: 3028200 -65.4991 -10.6007 -44.1858 -8.29712 115.744 11.9677 -44.7679 9.8678 28.6641 TIMING: 3028200 CPU: 9635.59, 0.00312393/step Wall: 9635.59, 0.00312393/step, 1.71105 hours remaining, 234.125000 MB of memory in use. ENERGY: 3028200 3974.8343 20352.6433 14630.6547 256.1477 -203390.9316 2550.2898 0.0000 0.0000 52142.6928 -109483.6690 299.6648 -161626.3618 -109119.4508 299.5418 460.1625 486.8100 759705.5515 26.3562 26.3031 LDB: ============= START OF LOAD BALANCING ============== 9648.01 LDB: ============== END OF LOAD BALANCING =============== 9648.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9648.01 LDB: ============= START OF LOAD BALANCING ============== 9648.33 LDB: Largest compute 7025 load 0.031053 is 15.9% of average load 0.195489 LDB: Average compute 0.004379 is 2.2% of average load 0.195489 LDB: TIME 9648.33 LOAD: AVG 0.195489 MAX 0.21764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.141 MB LDB: TIME 9648.33 LOAD: AVG 0.195489 MAX 0.21764 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 9648.33 LOAD: AVG 0.195489 MAX 0.21764 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 9648.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9648.34 PRESSURE: 3028400 483.303 21.3381 17.2415 21.3381 66.8524 39.732 17.2411 39.732 146.055 GPRESSURE: 3028400 506.268 102.506 36.0895 60.8764 113.049 -0.710758 14.382 115.514 162.493 PRESSAVG: 3028400 -58.2767 51.0443 -2.79195 51.0442 46.9583 13.4613 -2.79198 13.4613 -25.7313 GPRESSAVG: 3028400 -57.3534 53.0276 -2.76042 46.8505 46.1859 12.8767 -0.0941097 16.4498 -25.5728 TIMING: 3028400 CPU: 9636.23, 0.00320743/step Wall: 9636.23, 0.00320743/step, 1.7566 hours remaining, 233.167969 MB of memory in use. ENERGY: 3028400 4042.3497 20545.1999 14548.4980 231.0374 -203425.7021 2424.7461 0.0000 0.0000 52217.7552 -109416.1159 300.0962 -161633.8711 -109053.6620 299.7303 232.0703 260.6032 760621.7615 -12.3499 -12.2468 PRESSURE: 3028600 -157.862 106.99 -135.927 106.99 -148.588 -63.386 -135.926 -63.3854 126.595 GPRESSURE: 3028600 -88.5682 113.715 -145.687 114.279 -27.2898 -0.88472 -175.406 -43.4077 24.6791 PRESSAVG: 3028600 7.68758 21.6474 -3.59677 21.6474 33.6988 2.48628 -3.59666 2.48621 -1.31186 GPRESSAVG: 3028600 7.52831 19.5497 -3.58142 23.8205 34.9125 2.40889 -4.67458 3.18771 -2.37824 TIMING: 3028600 CPU: 9636.86, 0.00315268/step Wall: 9636.86, 0.00315268/step, 1.72644 hours remaining, 233.425781 MB of memory in use. ENERGY: 3028600 4030.4707 20465.7466 14480.3825 226.3005 -203390.4121 2632.2093 0.0000 0.0000 52326.8064 -109228.4960 300.7229 -161555.3024 -108864.2250 299.7755 -59.9517 -30.3930 761846.0415 13.3582 13.3542 PRESSURE: 3028800 48.8686 -71.5436 -262.798 -71.5441 -80.1491 -152.666 -262.798 -152.667 108.251 GPRESSURE: 3028800 2.78566 -6.77545 -186.778 -55.9278 -1.0581 -183.081 -217.035 -188.815 170.945 PRESSAVG: 3028800 -12.6725 10.3225 -40.7679 10.3224 38.7813 -20.4647 -40.7679 -20.4647 36.1361 GPRESSAVG: 3028800 -12.5785 11.0059 -40.0232 9.05546 38.0418 -18.0664 -40.1924 -23.5787 36.116 TIMING: 3028800 CPU: 9637.49, 0.00314335/step Wall: 9637.49, 0.00314335/step, 1.72116 hours remaining, 233.769531 MB of memory in use. ENERGY: 3028800 3951.3184 20557.2144 14563.1528 228.3406 -203185.8129 2248.2621 0.0000 0.0000 52499.7562 -109137.7684 301.7168 -161637.5246 -108763.9223 300.2757 25.6568 57.5577 762319.0392 20.7483 20.5264 PRESSURE: 3029000 240.942 235.863 21.6592 235.863 -383.028 185.45 21.6586 185.449 75.3599 GPRESSURE: 3029000 277.74 281.377 41.1467 117.502 -317.36 176.188 -20.9958 113.78 62.4005 PRESSAVG: 3029000 10.7822 -1.66178 -35.5953 -1.66175 -7.44264 12.2641 -35.5954 12.2642 -9.40452 GPRESSAVG: 3029000 9.85613 -1.01864 -35.8264 -4.24617 -7.30303 11.0567 -35.56 13.3369 -8.74313 TIMING: 3029000 CPU: 9638.12, 0.00312548/step Wall: 9638.12, 0.00312548/step, 1.7112 hours remaining, 233.769531 MB of memory in use. ENERGY: 3029000 3956.9856 20453.2470 14497.0454 257.3721 -203316.2787 2445.2341 0.0000 0.0000 52406.2239 -109300.1706 301.1793 -161706.3945 -108920.9195 300.3354 -22.2421 7.5933 762227.8487 -2.0216 -2.0633 PRESSURE: 3029200 2.28162 50.9278 158.699 50.9273 117.692 287.582 158.699 287.582 126.884 GPRESSURE: 3029200 114.925 117.024 233.223 76.0368 168.463 246.788 210.831 319.619 27.9715 PRESSAVG: 3029200 13.0538 11.5409 35.1929 11.5408 -52.6592 11.961 35.1929 11.961 -12.7294 GPRESSAVG: 3029200 14.7223 8.47954 36.335 13.4543 -53.2743 13.4767 35.2432 11.8391 -14.2011 TIMING: 3029200 CPU: 9638.74, 0.00311737/step Wall: 9638.74, 0.00311737/step, 1.70659 hours remaining, 233.769531 MB of memory in use. ENERGY: 3029200 4053.8805 20560.3202 14595.2244 253.1403 -203534.4835 2578.7698 0.0000 0.0000 52198.2131 -109294.9353 299.9838 -161493.1484 -108936.1346 299.8350 82.2856 103.7865 761294.2402 -17.4450 -17.5844 PRESSURE: 3029400 -395.175 95.784 75.7349 95.7841 117.604 -159.503 75.7337 -159.504 -27.7808 GPRESSURE: 3029400 -297.461 142.904 26.1238 137.652 150.794 -187.498 205.262 41.6668 -97.2744 PRESSAVG: 3029400 26.289 66.8956 71.747 66.8956 -19.6523 1.64593 71.747 1.64587 1.64979 GPRESSAVG: 3029400 26.3775 67.9022 70.4656 65.9689 -19.6319 1.37495 71.2722 0.828717 1.7923 TIMING: 3029400 CPU: 9639.37, 0.00312909/step Wall: 9639.37, 0.00312909/step, 1.71283 hours remaining, 233.769531 MB of memory in use. ENERGY: 3029400 4003.3348 20585.8457 14559.2927 263.9632 -203312.0535 2613.1138 0.0000 0.0000 52142.1273 -109144.3760 299.6615 -161286.5033 -108776.2211 300.4284 -101.7840 -81.3137 760727.1332 2.7622 2.8460 PRESSURE: 3029600 -113.224 -27.9636 -71.3357 -27.9639 -151.428 143.37 -71.3359 143.372 -205.592 GPRESSURE: 3029600 -106.998 39.7109 -62.3519 40.7534 -223.795 153.911 -198.811 94.4071 -56.5899 PRESSAVG: 3029600 12.3452 66.265 2.32551 66.2651 16.4323 -44.5108 2.32551 -44.5107 9.07075 GPRESSAVG: 3029600 11.5934 67.4711 1.64838 66.9599 16.6252 -44.1466 0.687891 -43.2755 9.59436 TIMING: 3029600 CPU: 9639.99, 0.00312347/step Wall: 9639.99, 0.00312347/step, 1.70958 hours remaining, 233.769531 MB of memory in use. ENERGY: 3029600 4101.4907 20636.4544 14529.8982 251.9901 -202987.2258 2236.3865 0.0000 0.0000 51790.2531 -109440.7527 297.6393 -161231.0058 -109075.4329 299.9174 -156.7482 -129.1277 761255.0098 12.6161 12.6043 PRESSURE: 3029800 141.392 68.0781 -75.9156 68.0782 -45.9482 -101.85 -75.9147 -101.851 644.626 GPRESSURE: 3029800 148.916 37.4746 -40.3019 24.7557 39.2537 -106.184 -99.2618 -13.3591 653.911 PRESSAVG: 3029800 -2.80486 29.812 10.833 29.812 -10.9465 -19.4382 10.833 -19.4383 -15.4976 GPRESSAVG: 3029800 -2.74543 29.5248 11.4364 29.6766 -10.9378 -19.7809 9.63397 -21.3049 -15.9986 TIMING: 3029800 CPU: 9640.62, 0.00311874/step Wall: 9640.62, 0.00311874/step, 1.70682 hours remaining, 233.769531 MB of memory in use. ENERGY: 3029800 3963.0273 20563.9929 14548.1902 257.7329 -203899.9549 3038.9317 0.0000 0.0000 52251.6878 -109276.3922 300.2912 -161528.0800 -108909.1190 299.6413 246.6900 280.6935 761595.7348 -9.7496 -9.8939 PRESSURE: 3030000 -139.832 -53.3201 168.948 -53.3197 -409.68 30.8357 168.948 30.8362 -76.6236 GPRESSURE: 3030000 -128.88 -115.898 154.579 -108.087 -426.014 28.5681 139.833 -35.8851 5.38026 PRESSAVG: 3030000 -5.01388 -14.0856 48.6977 -14.0856 -67.783 -55.5649 48.6978 -55.5648 -10.2804 GPRESSAVG: 3030000 -4.58629 -14.7364 49.523 -14.1949 -69.1324 -55.9999 50.9044 -55.9819 -10.0319 TIMING: 3030000 CPU: 9641.24, 0.00311478/step Wall: 9641.24, 0.00311478/step, 1.70448 hours remaining, 233.769531 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: 3030000 4024.9680 20524.1293 14515.8595 251.8694 -203181.1762 2265.4614 0.0000 0.0000 52223.0438 -109375.8448 300.1266 -161598.8886 -109008.2820 299.3783 -208.7119 -183.1712 761384.6089 -27.6924 -27.9169 PRESSURE: 3030200 -10.363 -81.3707 159.303 -81.3709 4.66312 -294.938 159.303 -294.937 213.395 GPRESSURE: 3030200 37.7227 -63.1414 193.086 -24.7426 73.526 -340.485 187.048 -267.928 168.13 PRESSAVG: 3030200 -17.9409 26.9389 62.3768 26.9389 22.6371 -49.8096 62.3767 -49.8097 -7.12444 GPRESSAVG: 3030200 -18.8636 27.1534 61.5672 25.6997 24.302 -50.1637 61.6059 -48.3114 -7.34227 TIMING: 3030200 CPU: 9641.86, 0.00310807/step Wall: 9641.86, 0.00310807/step, 1.70063 hours remaining, 233.769531 MB of memory in use. ENERGY: 3030200 3942.0279 20683.2224 14516.9657 244.2268 -203389.0670 2338.2247 0.0000 0.0000 52169.9609 -109494.4386 299.8215 -161664.3995 -109130.6396 299.6833 69.2316 93.1262 760892.2285 -0.8094 -0.6346 PRESSURE: 3030400 -111.978 15.4968 84.7163 15.4963 -251.583 -56.3684 84.7161 -56.3695 26.7065 GPRESSURE: 3030400 -126.311 61.4455 38.7473 104.14 -152.227 -41.6511 76.3227 -184.261 25.654 PRESSAVG: 3030400 31.8569 -8.14315 -16.2314 -8.14311 -54.8727 -25.5976 -16.2314 -25.5976 29.9808 GPRESSAVG: 3030400 32.5514 -7.5507 -16.9268 -6.63426 -55.4505 -24.8507 -15.4333 -27.235 29.4733 TIMING: 3030400 CPU: 9642.49, 0.0031335/step Wall: 9642.49, 0.0031335/step, 1.71437 hours remaining, 233.769531 MB of memory in use. ENERGY: 3030400 3961.4689 20415.2940 14498.9754 241.1520 -203099.9293 2325.4261 0.0000 0.0000 52273.6332 -109383.9797 300.4173 -161657.6128 -109015.4125 299.1663 -112.2847 -84.2945 760615.1605 2.3217 2.1914 PRESSURE: 3030600 -244.67 -122.853 -7.02405 -122.853 -75.8815 -59.3212 -7.02386 -59.3212 116.068 GPRESSURE: 3030600 -219.231 -315.449 -3.74567 -29.0134 -45.4575 -52.2554 -39.5699 -117.206 148.389 PRESSAVG: 3030600 22.7591 -26.8 15.5037 -26.7999 -12.3023 -16.8211 15.5037 -16.821 -2.79511 GPRESSAVG: 3030600 23.0588 -29.3067 16.2833 -25.8578 -12.9387 -16.3705 15.7154 -17.2134 -2.04542 TIMING: 3030600 CPU: 9643.11, 0.00311583/step Wall: 9643.11, 0.00311583/step, 1.70453 hours remaining, 233.769531 MB of memory in use. ENERGY: 3030600 3991.7736 20435.4081 14558.7005 243.7648 -203378.6256 2482.4988 0.0000 0.0000 52429.2368 -109237.2428 301.3115 -161666.4797 -108860.0937 299.9005 -68.1613 -38.7667 762864.5480 2.5539 2.6916 PRESSURE: 3030800 420.709 -184.863 139.119 -184.863 313.898 -5.18109 139.118 -5.18045 107.618 GPRESSURE: 3030800 458.05 -112.509 -11.8152 -138.705 364.248 -47.651 72.2871 226.629 96.154 PRESSAVG: 3030800 -11.9486 -44.0421 2.80469 -44.0421 -23.4907 -6.41408 2.80468 -6.41409 3.65086 GPRESSAVG: 3030800 -12.0841 -42.5106 2.69182 -45.2961 -22.3892 -6.42415 2.83682 -3.64867 2.07447 TIMING: 3030800 CPU: 9643.74, 0.0031287/step Wall: 9643.74, 0.0031287/step, 1.7114 hours remaining, 233.757812 MB of memory in use. ENERGY: 3030800 3901.4225 20489.9219 14568.8872 273.4766 -203700.2610 2951.9835 0.0000 0.0000 52371.7648 -109142.8045 300.9813 -161514.5693 -108782.3075 299.8725 280.7414 306.1504 761259.6907 -10.5962 -10.7996 PRESSURE: 3031000 -186.539 116.505 177.972 116.504 -87.0551 18.1012 177.973 18.1004 155.889 GPRESSURE: 3031000 -105.244 181.613 245.107 44.3182 -134.962 64.072 5.70886 -34.9935 194.326 PRESSAVG: 3031000 3.29712 16.3203 -37.5454 16.3203 -19.6107 -51.1189 -37.5454 -51.1189 -8.42192 GPRESSAVG: 3031000 4.58234 17.3951 -37.501 16.0823 -20.044 -51.088 -39.0705 -53.4214 -8.98526 TIMING: 3031000 CPU: 9644.36, 0.00313241/step Wall: 9644.36, 0.00313241/step, 1.71325 hours remaining, 233.812500 MB of memory in use. ENERGY: 3031000 4015.9251 20747.8905 14544.7979 233.3199 -203176.2853 2276.7456 0.0000 0.0000 52106.3256 -109251.2807 299.4558 -161357.6063 -108886.5003 300.0268 -39.2353 -15.2933 759315.6729 -8.2452 -8.1490 PRESSURE: 3031200 -190.467 209.822 76.7247 209.821 -288.375 38.7308 76.7253 38.731 121.882 GPRESSURE: 3031200 -179.704 182.482 46.5882 205.867 -240.284 44.877 -38.105 -93.1062 159.664 PRESSAVG: 3031200 1.42955 -4.54908 -2.15096 -4.54917 -7.72241 -12.9547 -2.15095 -12.9547 -7.46654 GPRESSAVG: 3031200 0.629234 -3.53322 -2.54079 -5.49744 -7.94325 -11.545 -0.549162 -13.2018 -6.52686 TIMING: 3031200 CPU: 9644.99, 0.00311633/step Wall: 9644.99, 0.00311633/step, 1.70429 hours remaining, 233.812500 MB of memory in use. ENERGY: 3031200 4005.2699 20451.5670 14495.4860 245.4448 -203046.3290 2243.1534 0.0000 0.0000 51972.0176 -109633.3903 298.6839 -161605.4079 -109274.8219 298.8646 -118.9864 -86.7746 763239.9545 -4.5865 -4.6136 PRESSURE: 3031400 28.6322 -50.8166 -47.041 -50.8162 17.7427 -16.1374 -47.0407 -16.1376 -105.57 GPRESSURE: 3031400 93.1867 -77.3831 84.3621 -78.1183 43.0242 11.5787 -89.8745 -176.871 -127.786 PRESSAVG: 3031400 -19.2423 -17.7668 2.60052 -17.7667 10.063 -8.8916 2.60053 -8.89164 -11.0999 GPRESSAVG: 3031400 -19.1163 -18.6927 1.88189 -16.7079 9.49389 -10.5157 0.651524 -8.06981 -10.4855 TIMING: 3031400 CPU: 9645.61, 0.00312154/step Wall: 9645.61, 0.00312154/step, 1.70696 hours remaining, 233.812500 MB of memory in use. ENERGY: 3031400 3980.3612 20417.4068 14623.0059 240.6466 -203212.4872 2488.5119 0.0000 0.0000 51641.1144 -109821.4404 296.7822 -161462.5548 -109463.3868 298.3103 -19.7317 2.8082 761423.3334 -6.7597 -6.7027 PRESSURE: 3031600 -218.059 -17.228 -339.758 -17.2284 6.69576 -175.022 -339.758 -175.022 -254.387 GPRESSURE: 3031600 -191.676 63.1987 -268.174 -100.513 42.6294 -186.808 -72.3122 -148.811 -240.823 PRESSAVG: 3031600 7.97441 -17.7066 -77.1854 -17.7065 -28.6689 1.73883 -77.1854 1.73883 -24.3815 GPRESSAVG: 3031600 8.36385 -17.5331 -75.6841 -19.3008 -28.6297 2.13696 -74.5704 2.8989 -24.5996 TIMING: 3031600 CPU: 9646.23, 0.00312031/step Wall: 9646.23, 0.00312031/step, 1.70612 hours remaining, 233.812500 MB of memory in use. ENERGY: 3031600 4001.1195 20524.8977 14622.5989 257.1246 -203374.2334 2467.9688 0.0000 0.0000 51732.2377 -109768.2863 297.3059 -161500.5239 -109417.5917 298.7559 -155.2499 -129.9565 761410.5037 -15.0253 -14.9551 PRESSURE: 3031800 -415.987 139.436 -64.8604 139.437 52.4068 -19.7156 -64.8594 -19.716 -200.661 GPRESSURE: 3031800 -213.813 132.288 -32.6648 180.193 11.0867 20.9373 -133.114 -6.21333 -271.811 PRESSAVG: 3031800 32.3702 26.3072 -46.1957 26.3071 1.57906 -32.3549 -46.1958 -32.355 29.5482 GPRESSAVG: 3031800 32.9178 26.072 -45.5143 27.8275 1.65477 -32.5483 -45.3221 -32.0654 28.0438 TIMING: 3031800 CPU: 9646.86, 0.00312282/step Wall: 9646.86, 0.00312282/step, 1.70732 hours remaining, 233.812500 MB of memory in use. ENERGY: 3031800 3920.6821 20452.6654 14566.9574 257.6856 -203777.3637 2613.2386 0.0000 0.0000 52284.3167 -109681.8179 300.4787 -161966.1346 -109311.1559 298.8006 -188.0803 -158.1792 760371.0753 21.1658 20.8721 PRESSURE: 3032000 196.838 -221.085 -28.8882 -221.085 330.598 375.307 -28.8883 375.307 -80.3252 GPRESSURE: 3032000 160.901 -176.539 -74.4937 -88.3773 381.024 280.052 -46.2541 235.771 -18.294 PRESSAVG: 3032000 16.5093 45.0974 23.4392 45.0974 -11.1735 -5.39065 23.4391 -5.39067 -14.5969 GPRESSAVG: 3032000 13.9752 47.5313 19.6991 44.7576 -9.79467 -5.21044 20.6532 -6.26767 -13.6603 TIMING: 3032000 CPU: 9647.48, 0.00310086/step Wall: 9647.48, 0.00310086/step, 1.69514 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3032000 3974.9119 20470.8856 14604.1299 247.3530 -203625.5102 2633.3316 0.0000 0.0000 51885.3883 -109809.5099 298.1860 -161694.8982 -109443.3826 299.1465 149.0370 174.5436 758791.7461 -3.0870 -3.1599 PRESSURE: 3032200 -296.8 168.723 -23.7042 168.723 380.401 -125.945 -23.7047 -125.945 233.694 GPRESSURE: 3032200 -158.856 178.742 32.0264 100.576 394.384 -194.786 24.4863 -124.181 185.792 PRESSAVG: 3032200 -88.234 -38.9381 -16.0375 -38.9382 58.8439 -7.3367 -16.0375 -7.33665 18.6005 GPRESSAVG: 3032200 -86.026 -40.1776 -13.7044 -39.0491 57.3922 -7.51875 -15.4125 -7.62726 18.4745 TIMING: 3032200 CPU: 9648.1, 0.00310278/step Wall: 9648.1, 0.00310278/step, 1.69601 hours remaining, 233.824219 MB of memory in use. ENERGY: 3032200 3985.2741 20555.3941 14465.5288 246.8445 -203728.1824 2623.6787 0.0000 0.0000 52036.6489 -109814.8132 299.0553 -161851.4622 -109453.8933 298.6363 105.7650 140.4401 760006.6472 -3.5965 -3.3864 LDB: ============= START OF LOAD BALANCING ============== 9660.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9660.52 LDB: =============== DONE WITH MIGRATION ================ 9660.52 LDB: ============= START OF LOAD BALANCING ============== 9660.83 LDB: Largest compute 7025 load 0.030307 is 15.5% of average load 0.195618 LDB: Average compute 0.004377 is 2.2% of average load 0.195618 LDB: TIME 9660.84 LOAD: AVG 0.195618 MAX 0.217022 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.066 MB LDB: TIME 9660.84 LOAD: AVG 0.195618 MAX 0.217022 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.27 MB LDB: TIME 9660.84 LOAD: AVG 0.195618 MAX 0.217022 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.27 MB LDB: ============== END OF LOAD BALANCING =============== 9660.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9660.84 PRESSURE: 3032400 279.189 -180.854 -130.104 -180.854 107.608 62.24 -130.105 62.2385 42.1451 GPRESSURE: 3032400 202.048 -150.247 -58.4637 -171.352 204.89 -11.2673 -148.248 51.5094 70.3292 PRESSAVG: 3032400 7.43875 -42.2781 -8.75689 -42.2781 23.4759 3.19989 -8.75694 3.19989 7.6048 GPRESSAVG: 3032400 5.951 -42.1163 -6.72547 -41.9611 24.3061 3.14262 -7.82537 5.49 8.02385 TIMING: 3032400 CPU: 9648.74, 0.00318828/step Wall: 9648.74, 0.00318828/step, 1.74257 hours remaining, 234.585938 MB of memory in use. ENERGY: 3032400 3955.3079 20532.9775 14564.1663 227.9104 -203477.2156 2587.7638 0.0000 0.0000 51918.8894 -109690.2003 298.3786 -161609.0897 -109335.6796 298.5533 142.9807 159.0893 758463.9934 12.8398 12.7603 PRESSURE: 3032600 67.7404 41.8456 140.769 41.8449 -398.746 -64.2343 140.769 -64.2342 -151.895 GPRESSURE: 3032600 109.797 -73.8895 81.1765 42.4383 -336.104 -73.904 32.7633 -36.5705 -157.244 PRESSAVG: 3032600 40.8606 -72.1655 7.96131 -72.1655 13.9503 -7.56371 7.96122 -7.56374 -19.2525 GPRESSAVG: 3032600 41.534 -73.603 5.56878 -72.6763 14.1877 -6.43319 8.70212 -10.6382 -20.8168 TIMING: 3032600 CPU: 9649.36, 0.00312336/step Wall: 9649.36, 0.00312336/step, 1.70692 hours remaining, 234.656250 MB of memory in use. ENERGY: 3032600 3974.2187 20522.5469 14505.5721 216.6465 -203517.7532 2504.8977 0.0000 0.0000 51929.3208 -109864.5504 298.4385 -161793.8712 -109505.1740 298.5892 -160.9668 -127.8502 759151.6678 11.8528 11.6350 PRESSURE: 3032800 61.1117 -41.0952 -29.116 -41.0949 159.572 70.7015 -29.1158 70.7013 191.042 GPRESSURE: 3032800 162.835 8.39677 -19.5501 -24.562 206.444 15.7164 48.7411 -42.8934 133.199 PRESSAVG: 3032800 -11.9995 -52.4882 6.11461 -52.4882 -4.24611 -17.4393 6.11461 -17.4393 -5.41657 GPRESSAVG: 3032800 -13.1316 -51.6391 6.09328 -52.3321 -4.7515 -17.2872 3.71552 -16.3247 -4.09182 TIMING: 3032800 CPU: 9649.99, 0.003129/step Wall: 9649.99, 0.003129/step, 1.70982 hours remaining, 234.656250 MB of memory in use. ENERGY: 3032800 3959.0379 20561.8324 14522.6268 252.2955 -203760.7045 2599.1944 0.0000 0.0000 52153.7611 -109711.9564 299.7284 -161865.7175 -109356.8175 298.6267 137.2418 167.4928 759012.8349 -7.2207 -7.3250 PRESSURE: 3033000 -389.589 166.897 77.321 166.896 -156.066 -109.219 77.3212 -109.219 -209.278 GPRESSURE: 3033000 -224.797 162.657 99.4066 160.667 -185.846 -175.438 53.9423 -12.5249 -260.636 PRESSAVG: 3033000 -31.3432 -56.6082 -23.763 -56.6083 -12.0186 26.1927 -23.763 26.1927 -4.27573 GPRESSAVG: 3033000 -29.789 -56.4342 -22.1534 -57.261 -13.0155 23.9649 -22.3022 27.8315 -4.81883 TIMING: 3033000 CPU: 9650.61, 0.00313085/step Wall: 9650.61, 0.00313085/step, 1.71066 hours remaining, 234.796875 MB of memory in use. ENERGY: 3033000 4031.1909 20462.9278 14490.4486 245.1740 -203609.1321 2539.2752 0.0000 0.0000 52045.4839 -109794.6316 299.1061 -161840.1155 -109431.1672 299.0190 -251.6445 -223.7594 760330.2390 -15.8792 -15.8744 PRESSURE: 3033200 16.2101 94.0054 189.27 94.0052 -141.707 -6.77051 189.271 -6.77109 -160.105 GPRESSURE: 3033200 38.2678 52.1712 216.151 115.742 -92.072 44.9785 155.608 40.8027 -160.719 PRESSAVG: 3033200 21.3057 -7.34718 22.8692 -7.34716 -22.5266 -24.4565 22.8692 -24.4565 -25.4673 GPRESSAVG: 3033200 21.178 -7.47878 21.1821 -6.63961 -22.3797 -22.9948 23.208 -23.8116 -24.7923 TIMING: 3033200 CPU: 9651.24, 0.00312459/step Wall: 9651.24, 0.00312459/step, 1.70707 hours remaining, 234.796875 MB of memory in use. ENERGY: 3033200 4095.5365 20499.7159 14537.3874 247.4685 -203357.2382 2248.9791 0.0000 0.0000 51998.2191 -109729.9318 298.8345 -161728.1509 -109369.0168 298.8257 -95.2005 -71.5077 760968.6284 -8.8961 -8.6647 PRESSURE: 3033400 -244.642 -150.921 -36.4102 -150.921 -36.8086 137.056 -36.4101 137.056 100.102 GPRESSURE: 3033400 -145.406 -162.632 -94.3488 -69.509 -6.66693 192.296 56.2698 49.0402 51.6487 PRESSAVG: 3033400 -3.09216 -13.8567 5.97332 -13.8567 48.316 -9.93103 5.97328 -9.93107 5.46926 GPRESSAVG: 3033400 -2.45234 -12.5647 5.66749 -13.7856 48.4064 -10.1611 6.14669 -13.3307 4.59534 TIMING: 3033400 CPU: 9651.86, 0.00312257/step Wall: 9651.86, 0.00312257/step, 1.70579 hours remaining, 234.796875 MB of memory in use. ENERGY: 3033400 4054.5625 20390.0890 14525.6308 243.3137 -203344.1784 2648.4008 0.0000 0.0000 51682.4188 -109799.7627 297.0196 -161482.1815 -109446.8675 298.6470 -60.4495 -33.4747 758620.0715 16.8977 16.8498 PRESSURE: 3033600 -300.767 -84.6145 -310.799 -84.6149 -192.988 41.4797 -310.799 41.4796 -26.232 GPRESSURE: 3033600 -226.842 -42.8155 -272.41 33.3668 -203.331 14.7181 -275.13 188.096 -9.62163 PRESSAVG: 3033600 2.37082 -57.5449 -10.7923 -57.5449 9.19787 15.2159 -10.7923 15.2159 -10.1448 GPRESSAVG: 3033600 -0.0141009 -60.1778 -10.3687 -58.2508 9.89269 15.6255 -11.726 15.5845 -8.39146 TIMING: 3033600 CPU: 9652.49, 0.0031182/step Wall: 9652.49, 0.0031182/step, 1.70323 hours remaining, 234.796875 MB of memory in use. ENERGY: 3033600 4052.1686 20514.5134 14569.0563 248.2960 -203310.7051 2317.3397 0.0000 0.0000 51846.7642 -109762.5669 297.9641 -161609.3310 -109411.1524 298.6890 -173.3288 -146.5981 760442.9045 0.4746 0.4957 PRESSURE: 3033800 44.552 41.787 230.739 41.7866 93.5443 -137.684 230.74 -137.684 -123.715 GPRESSURE: 3033800 57.9445 38.4589 228.735 126.827 131.243 -78.3343 315.208 -118.619 -88.279 PRESSAVG: 3033800 -25.4728 -56.9767 4.30361 -56.9767 50.8859 -29.9696 4.30358 -29.9695 -8.24684 GPRESSAVG: 3033800 -25.9882 -55.3982 3.43167 -58.3904 50.4265 -29.6857 5.44206 -28.9353 -8.37255 TIMING: 3033800 CPU: 9653.11, 0.00312393/step Wall: 9653.11, 0.00312393/step, 1.70619 hours remaining, 234.796875 MB of memory in use. ENERGY: 3033800 3968.1087 20522.8044 14512.0143 250.2924 -203568.5685 2596.5598 0.0000 0.0000 51817.0177 -109901.7712 297.7931 -161718.7890 -109535.0270 298.4617 4.7938 33.6363 760092.6799 5.7221 5.3552 PRESSURE: 3034000 223.901 -129.299 110.383 -129.299 -59.118 -77.9528 110.382 -77.9517 -550.922 GPRESSURE: 3034000 178.845 -106.376 90.8248 -188.63 -9.23143 -41.3435 86.1221 -62.8004 -463.124 PRESSAVG: 3034000 -12.5655 -24.6568 -14.7647 -24.6568 40.9983 -46.7222 -14.7646 -46.7222 -1.53576 GPRESSAVG: 3034000 -12.5002 -24.8835 -14.7416 -22.1553 42.2335 -47.4675 -13.6196 -46.6727 -2.74333 TIMING: 3034000 CPU: 9653.74, 0.0031326/step Wall: 9653.74, 0.0031326/step, 1.71075 hours remaining, 234.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3034000 3987.6961 20546.9226 14573.7601 253.6799 -203411.0279 2323.6827 0.0000 0.0000 51803.6861 -109921.6005 297.7165 -161725.2865 -109571.3071 298.7567 -128.7132 -97.8368 760281.8868 8.9657 8.9967 PRESSURE: 3034200 33.5653 -210.18 191.723 -210.181 113.178 -130.821 191.722 -130.822 89.8764 GPRESSURE: 3034200 58.2593 -189.51 121.76 -281.712 169.518 -146.982 111.184 -150.781 89.237 PRESSAVG: 3034200 16.5932 -55.0664 13.1033 -55.0664 -30.359 -27.8282 13.1034 -27.8281 14.4123 GPRESSAVG: 3034200 16.9334 -56.3478 13.519 -57.3018 -30.0879 -27.9413 9.99524 -29.9595 13.8582 TIMING: 3034200 CPU: 9654.37, 0.00313695/step Wall: 9654.37, 0.00313695/step, 1.71295 hours remaining, 234.796875 MB of memory in use. ENERGY: 3034200 3930.6485 20492.0872 14549.2971 253.1788 -203846.7229 2916.4898 0.0000 0.0000 51724.1056 -109980.9160 297.2591 -161705.0216 -109627.7748 298.3500 78.8732 105.6713 759648.1461 0.2155 0.2346 PRESSURE: 3034400 -357.732 -37.3657 -134.016 -37.3659 -181.014 128.542 -134.015 128.542 -436.761 GPRESSURE: 3034400 -365.928 -118.35 -130.353 -68.1096 -219.187 202.725 -106.734 104.346 -340.588 PRESSAVG: 3034400 27.3874 -45.5553 10.1635 -45.5553 -50.3005 -39.5667 10.1635 -39.5666 -3.05141 GPRESSAVG: 3034400 27.6008 -46.9729 12.1388 -43.8062 -52.3736 -39.8525 7.95597 -38.8334 -1.57799 TIMING: 3034400 CPU: 9654.99, 0.00312285/step Wall: 9654.99, 0.00312285/step, 1.70508 hours remaining, 234.796875 MB of memory in use. ENERGY: 3034400 3965.9930 20552.7502 14567.9349 230.3560 -203058.4540 2047.8821 0.0000 0.0000 51852.7117 -109840.8263 297.9982 -161693.5379 -109478.3140 297.7217 -325.1691 -308.5679 760707.3966 -8.6548 -8.7836 PRESSURE: 3034600 140.936 -2.60721 -228.385 -2.60678 -52.3531 34.516 -228.385 34.5162 327.252 GPRESSURE: 3034600 84.4977 -173.695 -158.608 -9.52162 114.358 7.25841 -307.553 -41.4538 295.621 PRESSAVG: 3034600 26.6566 1.10076 -50.1317 1.10085 0.108149 -39.4224 -50.1316 -39.4225 -24.6167 GPRESSAVG: 3034600 25.755 2.11554 -51.6487 3.70853 1.54747 -37.041 -48.6261 -39.0983 -24.9691 TIMING: 3034600 CPU: 9655.61, 0.00311035/step Wall: 9655.61, 0.00311035/step, 1.69808 hours remaining, 234.796875 MB of memory in use. ENERGY: 3034600 3948.0711 20610.9545 14598.0991 229.0952 -203994.9390 2827.7114 0.0000 0.0000 52033.0391 -109747.9686 299.0346 -161781.0077 -109385.1803 298.5011 138.6115 164.8254 759686.7918 0.7160 0.7778 PRESSURE: 3034800 -225.521 66.6043 168.562 66.6039 218.588 -70.7381 168.561 -70.7398 239.791 GPRESSURE: 3034800 -204.378 203.627 117.29 21.5449 240.682 -121.786 100.773 -90.7382 282.944 PRESSAVG: 3034800 -55.3295 20.2183 -23.6138 20.2183 10.0286 29.1146 -23.6139 29.1146 -5.70389 GPRESSAVG: 3034800 -54.3041 23.2234 -23.9975 14.1741 9.52798 27.3384 -22.1528 28.3336 -6.11634 TIMING: 3034800 CPU: 9656.24, 0.00311866/step Wall: 9656.24, 0.00311866/step, 1.70244 hours remaining, 234.796875 MB of memory in use. ENERGY: 3034800 3946.2542 20361.8638 14567.8643 226.6330 -203504.3503 2414.8170 0.0000 0.0000 52232.5624 -109754.3555 300.1813 -161986.9179 -109380.8578 298.9740 77.6192 106.4162 760466.9718 -17.0016 -16.9641 PRESSURE: 3035000 -22.587 83.6958 -22.824 83.6963 -242.059 -14.0734 -22.8221 -14.0733 -264.397 GPRESSURE: 3035000 11.8955 156.152 4.33924 -26.025 -196.823 43.0714 -173.04 46.8555 -253.238 PRESSAVG: 3035000 9.47671 -78.0365 -66.7749 -78.0365 37.4043 1.13806 -66.775 1.13811 -7.49657 GPRESSAVG: 3035000 8.99031 -77.4106 -66.8737 -75.662 37.7019 0.814994 -69.052 3.20842 -7.88303 TIMING: 3035000 CPU: 9656.86, 0.00312617/step Wall: 9656.86, 0.00312617/step, 1.70637 hours remaining, 234.796875 MB of memory in use. ENERGY: 3035000 3966.9275 20573.4387 14551.6579 238.8724 -203732.2385 2664.1088 0.0000 0.0000 51954.8201 -109782.4130 298.5851 -161737.2331 -109422.0736 298.7151 -176.3478 -146.0553 759816.0283 13.1281 12.9364 PRESSURE: 3035200 -101.398 157.877 -142.044 157.876 -154.526 -151.931 -142.045 -151.93 129.74 GPRESSURE: 3035200 -88.8625 108.684 -121.5 191.323 -126.793 -40.7812 -106.354 -257.628 162.771 PRESSAVG: 3035200 -15.6243 -6.7607 8.20263 -6.76069 32.2505 -20.7877 8.20265 -20.7876 25.6235 GPRESSAVG: 3035200 -16.2874 -9.43968 9.39094 -5.26419 32.2083 -19.4473 9.96199 -21.8037 25.7989 TIMING: 3035200 CPU: 9657.49, 0.00313344/step Wall: 9657.49, 0.00313344/step, 1.71016 hours remaining, 234.796875 MB of memory in use. ENERGY: 3035200 3980.7600 20315.0342 14568.9048 252.3843 -203954.3375 2617.0010 0.0000 0.0000 52396.9662 -109823.2871 301.1261 -162220.2533 -109444.3325 299.0248 -42.0613 -17.6284 759108.3478 14.0832 13.9066 PRESSURE: 3035400 -221.7 -54.6187 -95.2384 -54.6183 -150.628 -60.0267 -95.2387 -60.0271 -182.046 GPRESSURE: 3035400 -187.555 -53.2865 -93.8057 3.08533 -67.4453 -118.833 36.1086 -59.8855 -206.979 PRESSAVG: 3035400 -54.1807 28.6702 2.29288 28.6702 20.9772 -18.1015 2.29288 -18.1015 7.02506 GPRESSAVG: 3035400 -54.8533 29.9291 2.27547 28.5988 20.9007 -19.5315 1.49358 -18.5923 7.65603 TIMING: 3035400 CPU: 9658.11, 0.00312477/step Wall: 9658.11, 0.00312477/step, 1.70526 hours remaining, 234.796875 MB of memory in use. ENERGY: 3035400 3989.2645 20494.9276 14500.3858 240.7930 -203002.8721 2111.0285 0.0000 0.0000 51942.6350 -109723.8376 298.5150 -161666.4726 -109363.5722 298.7147 -184.7913 -153.9931 760799.8854 -8.7261 -8.7655 PRESSURE: 3035600 -11.2719 10.7838 200.929 10.7839 163.766 -26.5895 200.929 -26.5899 443.633 GPRESSURE: 3035600 56.6096 123.434 152.833 14.9459 144.281 21.7449 248.055 -114.327 481.881 PRESSAVG: 3035600 -43.0397 -4.23582 -7.57674 -4.23579 38.3088 19.5818 -7.57676 19.5818 -0.476397 GPRESSAVG: 3035600 -41.2782 -6.31533 -10.5151 -4.82886 36.9291 19.7152 -7.0149 20.4833 -0.634799 TIMING: 3035600 CPU: 9658.74, 0.00313187/step Wall: 9658.74, 0.00313187/step, 1.70896 hours remaining, 234.796875 MB of memory in use. ENERGY: 3035600 3942.2277 20427.7937 14542.8728 260.7437 -203458.2517 2681.5370 0.0000 0.0000 51984.4022 -109618.6747 298.7551 -161603.0769 -109258.7970 299.2912 198.7089 227.5906 760957.2660 -1.7358 -1.6613 PRESSURE: 3035800 -244.969 -330.943 -335.924 -330.944 -97.7764 145.823 -335.925 145.823 -192.678 GPRESSURE: 3035800 -212.209 -308.31 -349.39 -261.955 -150.151 105.825 -414.003 61.1968 -96.153 PRESSAVG: 3035800 -52.774 -16.3264 -30.3402 -16.3264 26.4737 -29.6444 -30.3402 -29.6445 -23.8456 GPRESSAVG: 3035800 -54.1927 -15.0651 -28.3843 -15.7708 28.0868 -30.7559 -30.4305 -28.1311 -23.6474 TIMING: 3035800 CPU: 9659.36, 0.0031242/step Wall: 9659.36, 0.0031242/step, 1.7046 hours remaining, 234.796875 MB of memory in use. ENERGY: 3035800 4014.9924 20576.8445 14534.3425 261.7950 -203487.0652 2555.5037 0.0000 0.0000 52081.7406 -109461.8463 299.3145 -161543.5870 -109087.9373 299.3672 -178.4744 -152.8375 761606.1356 -16.7153 -16.5845 PRESSURE: 3036000 -145.707 268.562 359.565 268.561 32.9199 41.6191 359.564 41.6197 -89.6964 GPRESSURE: 3036000 -47.8226 214.818 404.276 174.753 65.2589 37.2061 242.968 -25.0428 -141.285 PRESSAVG: 3036000 -26.2669 -1.66562 -10.6751 -1.66563 -1.57013 -1.16379 -10.6752 -1.16385 -14.3747 GPRESSAVG: 3036000 -25.0828 -0.0903717 -11.9491 -2.86172 -1.69079 0.506082 -13.9612 -3.68959 -15.3647 TIMING: 3036000 CPU: 9659.99, 0.00312761/step Wall: 9659.99, 0.0031276/step, 1.70628 hours remaining, 234.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3036000 3964.9787 20665.5788 14525.2433 243.2536 -203358.7620 2459.6260 0.0000 0.0000 51908.1496 -109591.9321 298.3168 -161500.0817 -109224.0074 299.2096 -67.4946 -41.2829 763225.2869 -14.0706 -14.0461 PRESSURE: 3036200 -50.8104 239.294 -83.2985 239.293 8.93276 -106.111 -83.2987 -106.113 -77.4337 GPRESSURE: 3036200 -9.22089 216.787 -130.239 259.666 41.4155 -31.2377 214.121 -117.546 -49.6451 PRESSAVG: 3036200 -40.2559 -13.4896 -20.1214 -13.4896 24.7798 23.9772 -20.1214 23.9772 6.3988 GPRESSAVG: 3036200 -39.7662 -13.4907 -20.1323 -13.4351 23.0221 24.2352 -16.1254 24.2939 7.80972 TIMING: 3036200 CPU: 9660.61, 0.00312494/step Wall: 9660.61, 0.00312494/step, 1.70466 hours remaining, 234.796875 MB of memory in use. ENERGY: 3036200 3981.1281 20377.4541 14590.0883 251.5761 -203644.4566 2435.0195 0.0000 0.0000 52062.2154 -109946.9752 299.2023 -162009.1906 -109588.9409 298.5023 -39.7705 -5.8168 760148.4307 -3.0258 -2.9781 LDB: ============= START OF LOAD BALANCING ============== 9673.03 LDB: ============== END OF LOAD BALANCING =============== 9673.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9673.03 LDB: ============= START OF LOAD BALANCING ============== 9673.35 LDB: Largest compute 7025 load 0.030932 is 15.8% of average load 0.195539 LDB: Average compute 0.004398 is 2.2% of average load 0.195539 LDB: TIME 9673.35 LOAD: AVG 0.195539 MAX 0.219391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 9673.35 LOAD: AVG 0.195539 MAX 0.219391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: TIME 9673.35 LOAD: AVG 0.195539 MAX 0.215235 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: ============== END OF LOAD BALANCING =============== 9673.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9673.36 PRESSURE: 3036400 -29.1241 -101.572 112.867 -101.573 -198.313 104.839 112.866 104.84 155.049 GPRESSURE: 3036400 19.9264 -82.2259 146.79 -98.3072 -221.902 68.5965 97.4665 13.4819 211.732 PRESSAVG: 3036400 24.0117 -0.540316 -33.4294 -0.540327 -3.75714 -6.39293 -33.4294 -6.3929 28.1911 GPRESSAVG: 3036400 23.8829 -1.18717 -32.3439 -0.919592 -3.59365 -6.94644 -34.2 -6.23242 27.7011 TIMING: 3036400 CPU: 9661.25, 0.00318695/step Wall: 9661.25, 0.00318695/step, 1.73831 hours remaining, 233.304688 MB of memory in use. ENERGY: 3036400 3862.5505 20692.2331 14511.7344 269.2852 -203562.4069 2484.8095 0.0000 0.0000 51778.7788 -109963.0153 297.5734 -161741.7940 -109598.0136 298.0041 -24.1294 3.2522 762254.7453 16.1486 15.9968 PRESSURE: 3036600 -235.361 -79.5747 -225.521 -79.5746 -67.8465 2.2613 -225.523 2.26188 -156.389 GPRESSURE: 3036600 -232.507 -118.123 -265.855 -104.576 -44.4228 -36.6454 -129.527 67.1894 -110.695 PRESSAVG: 3036600 1.66004 -39.9775 7.92832 -39.9775 14.6287 -7.87939 7.9283 -7.8794 9.46736 GPRESSAVG: 3036600 1.16688 -40.9738 7.13143 -37.3696 14.4241 -6.70154 8.41167 -8.95441 9.75971 TIMING: 3036600 CPU: 9661.88, 0.00312441/step Wall: 9661.88, 0.00312441/step, 1.70402 hours remaining, 233.507812 MB of memory in use. ENERGY: 3036600 3944.9306 20298.1725 14579.6709 237.2000 -203651.3433 2529.0649 0.0000 0.0000 52088.7337 -109973.5708 299.3547 -162062.3045 -109601.7106 298.3045 -153.1990 -129.2084 762033.0172 8.5853 8.4502 PRESSURE: 3036800 -267.487 -33.4242 -13.3654 -33.4252 -261.463 -117.795 -13.3656 -117.795 -211.43 GPRESSURE: 3036800 -297.384 118.442 -118.931 70.3057 -162.447 -137.938 70.3981 41.9061 -173.992 PRESSAVG: 3036800 -20.1571 -22.3913 -14.0024 -22.3912 65.2906 12.7563 -14.0024 12.7564 -31.3918 GPRESSAVG: 3036800 -20.8648 -21.8941 -12.3029 -22.6033 66.3345 11.7536 -16.0852 14.4778 -31.5832 TIMING: 3036800 CPU: 9662.5, 0.00312584/step Wall: 9662.5, 0.00312584/step, 1.70462 hours remaining, 233.507812 MB of memory in use. ENERGY: 3036800 4055.0682 20546.4052 14562.2081 231.1491 -203482.0362 2447.6088 0.0000 0.0000 52035.6793 -109603.9176 299.0498 -161639.5968 -109240.1727 298.8274 -246.7935 -211.2742 760942.6348 4.5806 4.6288 PRESSURE: 3037000 -126.429 -109.224 58.8446 -109.223 72.219 12.4569 58.8448 12.4579 117.048 GPRESSURE: 3037000 -69.5114 -125.921 -15.0779 -6.11997 100.608 116.425 31.3718 -44.6143 121.584 PRESSAVG: 3037000 -28.231 -4.20035 -42.5849 -4.20035 -7.70485 5.62649 -42.5849 5.62656 -0.287915 GPRESSAVG: 3037000 -27.6291 -3.23229 -42.2007 -5.79091 -8.55163 5.66708 -43.2898 6.31025 -0.193837 TIMING: 3037000 CPU: 9663.12, 0.00311241/step Wall: 9663.12, 0.00311241/step, 1.69713 hours remaining, 233.507812 MB of memory in use. ENERGY: 3037000 4038.1124 20531.9390 14513.2211 249.9692 -203410.3760 2512.0250 0.0000 0.0000 51871.6720 -109693.4372 298.1072 -161565.1092 -109328.8626 298.6931 20.9462 50.8936 760181.1077 -12.0746 -12.1248 PRESSURE: 3037200 -17.3519 31.8052 70.2331 31.8043 -42.3314 315.813 70.2332 315.812 288.887 GPRESSURE: 3037200 94.1389 -16.7837 62.5406 50.9188 -62.8715 173.591 139.64 222.604 272.139 PRESSAVG: 3037200 11.0283 7.03938 1.24535 7.03934 -23.2032 18.8239 1.24538 18.8239 50.7377 GPRESSAVG: 3037200 11.0196 5.15705 -0.562713 7.51466 -22.7582 18.5395 5.20575 17.2799 50.6446 TIMING: 3037200 CPU: 9663.75, 0.00311939/step Wall: 9663.75, 0.00311939/step, 1.70076 hours remaining, 233.507812 MB of memory in use. ENERGY: 3037200 3982.6343 20586.6454 14550.4062 243.3866 -203694.9252 2477.3343 0.0000 0.0000 51978.8749 -109875.6435 298.7233 -161854.5184 -109517.1135 298.5543 76.4011 101.1354 759405.2681 12.8543 12.9687 PRESSURE: 3037400 387.173 -52.8552 -114.194 -52.8555 414.302 186.872 -114.194 186.871 461.053 GPRESSURE: 3037400 388.471 15.1922 -187.891 126.69 538.494 310.027 -60.0453 206.435 429.274 PRESSAVG: 3037400 56.5854 -2.57099 -20.8158 -2.57095 -72.7531 26.1372 -20.8158 26.1372 -37.4127 GPRESSAVG: 3037400 56.918 -1.44404 -19.4294 -1.10039 -72.4686 26.3419 -21.3993 25.9944 -38.6039 TIMING: 3037400 CPU: 9664.37, 0.00311937/step Wall: 9664.37, 0.00311937/step, 1.70058 hours remaining, 233.507812 MB of memory in use. ENERGY: 3037400 3920.7960 20508.2337 14562.5949 227.8990 -204210.2772 2911.8418 0.0000 0.0000 51914.9440 -110163.9679 298.3559 -162078.9119 -109810.7224 298.0596 420.8427 452.0795 757904.8457 -17.8601 -18.0515 PRESSURE: 3037600 -154.357 126.516 -82.7909 126.516 -73.1157 163.651 -82.7915 163.65 183.003 GPRESSURE: 3037600 -126.085 165.639 4.31571 112.975 0.611165 199.154 -137.774 83.8649 181.348 PRESSAVG: 3037600 53.7342 16.4891 -6.71269 16.489 -17.4826 47.527 -6.71273 47.527 0.564502 GPRESSAVG: 3037600 52.7454 19.4206 -7.67191 14.0425 -16.0381 47.2731 -6.86077 50.1096 1.10088 TIMING: 3037600 CPU: 9665, 0.00312213/step Wall: 9665, 0.00312213/step, 1.70191 hours remaining, 233.507812 MB of memory in use. ENERGY: 3037600 3946.6707 20534.2961 14546.2745 263.1718 -204036.5937 2609.5829 0.0000 0.0000 51962.1977 -110174.4000 298.6275 -162136.5978 -109801.8659 298.5418 -14.8234 18.6245 758713.3884 12.2720 12.6027 PRESSURE: 3037800 -462.119 54.002 67.7498 54.0006 -22.9965 -16.0481 67.7503 -16.0477 -86.0351 GPRESSURE: 3037800 -348.726 -52.8672 77.4584 20.0936 -92.4625 -26.0953 23.0593 28.0553 -47.412 PRESSAVG: 3037800 -23.9574 10.9617 4.60886 10.9617 -41.9069 29.5961 4.60883 29.596 -11.9597 GPRESSAVG: 3037800 -22.0751 9.55197 5.41539 11.9942 -43.9107 29.2569 4.63802 28.3836 -11.968 TIMING: 3037800 CPU: 9665.62, 0.00312838/step Wall: 9665.62, 0.00312838/step, 1.70514 hours remaining, 233.507812 MB of memory in use. ENERGY: 3037800 3960.7882 20540.7755 14544.9353 236.2055 -203871.6122 2405.4984 0.0000 0.0000 51674.5794 -110508.8299 296.9745 -162183.4092 -110138.8571 298.1505 -190.3837 -162.8668 759250.2543 -25.9413 -25.9846 PRESSURE: 3038000 -487.67 52.6426 -10.4667 52.6423 -211.367 -70.4165 -10.4679 -70.4162 -197.388 GPRESSURE: 3038000 -479.988 56.2579 17.3011 68.8217 -123.475 -55.6722 52.8372 -152.602 -206.892 PRESSAVG: 3038000 2.36698 49.176 7.29868 49.176 -29.4506 14.1841 7.29863 14.1841 -4.14059 GPRESSAVG: 3038000 1.63217 48.4569 7.16332 50.0463 -29.7503 14.6617 5.17227 13.756 -3.25897 TIMING: 3038000 CPU: 9666.24, 0.00310568/step Wall: 9666.24, 0.00310568/step, 1.6926 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3038000 4027.3518 20589.7158 14505.9132 249.5363 -203734.0702 2155.9956 0.0000 0.0000 51603.1514 -110602.4062 296.5640 -162205.5576 -110248.8658 297.0834 -298.8081 -270.1182 760131.6428 -10.4081 -10.4590 PRESSURE: 3038200 -0.582885 242.919 -191.397 242.919 -155.199 -12.7102 -191.397 -12.7107 -251.277 GPRESSURE: 3038200 134.365 236.93 -156.79 133.491 -186.353 21.9304 -72.9074 -162.881 -267.56 PRESSAVG: 3038200 -8.19862 49.0495 14.0222 49.0496 20.3135 -20.5036 14.0222 -20.5037 -4.121 GPRESSAVG: 3038200 -7.09671 49.777 14.6104 47.4665 20.821 -19.0437 16.0493 -22.0676 -4.95586 TIMING: 3038200 CPU: 9666.87, 0.00313105/step Wall: 9666.87, 0.00313105/step, 1.70625 hours remaining, 233.507812 MB of memory in use. ENERGY: 3038200 4024.7438 20552.9851 14538.0295 247.6719 -203669.8311 2508.5982 0.0000 0.0000 51372.3061 -110425.4964 295.2373 -161797.8026 -110065.7080 297.2635 -135.6863 -106.5161 759517.8785 2.6646 2.9228 PRESSURE: 3038400 -168.862 86.6114 -114.818 86.6108 545.458 -78.5355 -114.818 -78.5344 -21.8807 GPRESSURE: 3038400 -61.1696 97.1605 -41.4822 90.5344 546.542 -63.3664 9.17219 -107.443 -48.3986 PRESSAVG: 3038400 -26.4054 9.61549 -15.4905 9.61549 -12.179 -64.4345 -15.4905 -64.4345 -6.35369 GPRESSAVG: 3038400 -27.1911 9.7713 -15.7411 10.1067 -12.2153 -65.0902 -13.3866 -63.8072 -5.41425 TIMING: 3038400 CPU: 9667.49, 0.00311704/step Wall: 9667.49, 0.00311704/step, 1.69844 hours remaining, 233.507812 MB of memory in use. ENERGY: 3038400 3950.8979 20516.2660 14485.8660 242.4805 -204235.9229 2790.7334 0.0000 0.0000 51951.5563 -110298.1227 298.5663 -162249.6790 -109928.0547 297.6442 118.2385 145.6579 758131.7651 -14.9794 -14.9402 PRESSURE: 3038600 43.1123 -16.758 -175.402 -16.7582 99.3722 23.057 -175.402 23.0572 434.212 GPRESSURE: 3038600 -4.5617 47.9235 -157.493 19.8628 132.169 -29.5144 -203.569 -46.7108 546.046 PRESSAVG: 3038600 -21.5147 -17.0138 -0.901067 -17.0138 39.2957 0.604835 -0.901033 0.604762 9.52939 GPRESSAVG: 3038600 -21.665 -18.6983 -1.66655 -16.3362 39.1907 -1.65598 -2.99782 2.32356 9.62001 TIMING: 3038600 CPU: 9668.12, 0.00311458/step Wall: 9668.12, 0.00311458/step, 1.69692 hours remaining, 233.507812 MB of memory in use. ENERGY: 3038600 3858.5698 20475.0115 14468.3023 245.8904 -204133.9581 2725.5028 0.0000 0.0000 51953.6746 -110407.0068 298.5785 -162360.6814 -110035.6014 297.7687 192.2320 224.5512 759659.7547 9.1035 9.0486 PRESSURE: 3038800 42.012 -175.444 319.834 -175.443 -224.272 -183.179 319.834 -183.18 15.7889 GPRESSURE: 3038800 60.4587 -222.222 304.987 -113.245 -160.748 -186.973 304.441 -132.078 13.1004 PRESSAVG: 3038800 41.8788 0.247598 -7.21355 0.247563 -28.6695 -8.24017 -7.21364 -8.24014 -19.0073 GPRESSAVG: 3038800 41.3528 2.01524 -8.28543 -0.319103 -27.7398 -6.94005 -9.93011 -8.56461 -19.3517 TIMING: 3038800 CPU: 9668.74, 0.00312878/step Wall: 9668.74, 0.00312878/step, 1.70449 hours remaining, 233.507812 MB of memory in use. ENERGY: 3038800 3963.9785 20402.7324 14601.1887 247.7883 -204048.5321 2564.4671 0.0000 0.0000 51819.4688 -110448.9083 297.8072 -162268.3771 -110083.1220 297.2781 -55.4904 -29.0629 759594.0152 -1.9327 -1.9129 PRESSURE: 3039000 72.7149 7.31286 -62.0632 7.31358 165.595 -204.811 -62.0632 -204.811 365.235 GPRESSURE: 3039000 105.688 -77.4784 -126.678 0.953366 209.649 -270.606 116.994 -117.984 375.539 PRESSAVG: 3039000 32.0082 -13.1587 -32.8745 -13.1587 -55.8159 23.8755 -32.8745 23.8755 -15.7407 GPRESSAVG: 3039000 32.979 -14.1284 -32.6645 -13.4425 -57.4198 24.5521 -29.3881 25.1153 -15.8377 TIMING: 3039000 CPU: 9669.37, 0.00312618/step Wall: 9669.37, 0.00312618/step, 1.7029 hours remaining, 233.507812 MB of memory in use. ENERGY: 3039000 3933.3666 20574.9027 14486.9766 260.5476 -204231.6078 2828.5181 0.0000 0.0000 51800.3719 -110346.9244 297.6974 -162147.2963 -109983.2392 297.2878 201.1816 230.2920 759066.7306 -13.1828 -13.4262 PRESSURE: 3039200 47.3303 77.2384 -119.926 77.2385 215.579 87.6644 -119.925 87.6644 -6.3246 GPRESSURE: 3039200 66.2142 43.2528 -206.909 128.254 292.008 123.94 -47.0066 131.272 -12.0294 PRESSAVG: 3039200 34.3888 -0.133307 -9.50869 -0.133302 -48.0118 -5.89741 -9.50866 -5.89744 10.9107 GPRESSAVG: 3039200 34.8324 0.0484238 -9.33223 0.0178944 -47.8932 -7.05227 -11.2382 -6.86218 10.9229 TIMING: 3039200 CPU: 9669.99, 0.00310669/step Wall: 9669.99, 0.00310669/step, 1.69211 hours remaining, 233.507812 MB of memory in use. ENERGY: 3039200 4059.8435 20636.1424 14547.3335 250.8865 -204192.2104 2722.5707 0.0000 0.0000 51754.4009 -110221.0329 297.4333 -161975.4339 -109866.2741 298.4714 85.5281 115.3976 758185.5331 -0.9041 -0.7126 PRESSURE: 3039400 186.245 -191.425 244.232 -191.424 -193.956 76.7066 244.231 76.7072 81.8812 GPRESSURE: 3039400 190.408 -315.563 331.268 -128.928 -141.384 94.097 254.189 163.685 99.3519 PRESSAVG: 3039400 32.9914 -26.1827 37.3172 -26.1826 -35.9065 47.071 37.3173 47.071 15.1177 GPRESSAVG: 3039400 30.615 -26.2314 38.0984 -24.8923 -33.4046 47.579 36.8028 47.3315 14.6946 TIMING: 3039400 CPU: 9670.61, 0.00310274/step Wall: 9670.61, 0.00310274/step, 1.68979 hours remaining, 233.507812 MB of memory in use. ENERGY: 3039400 3967.1932 20695.4995 14458.8587 252.7754 -203912.3838 2538.5278 0.0000 0.0000 51824.9553 -110174.5738 297.8387 -161999.5291 -109812.9881 298.2262 24.7233 49.4586 760691.5416 4.0675 3.9683 PRESSURE: 3039600 -216.254 -64.5188 -52.833 -64.5193 121.671 128.722 -52.8331 128.722 108.515 GPRESSURE: 3039600 -249.689 -80.411 -128.243 43.3341 162.558 83.1134 -79.0496 81.4513 174.04 PRESSAVG: 3039600 23.9957 -47.7208 54.8137 -47.7208 -14.3073 81.383 54.8137 81.3831 -7.26147 GPRESSAVG: 3039600 26.6399 -47.2806 55.5761 -48.5033 -16.5761 82.2312 52.7776 79.1846 -7.93329 TIMING: 3039600 CPU: 9671.23, 0.00309926/step Wall: 9671.23, 0.00309926/step, 1.68772 hours remaining, 233.507812 MB of memory in use. ENERGY: 3039600 3992.4491 20492.8579 14520.3301 223.4980 -203822.7630 2594.0111 0.0000 0.0000 51955.3358 -110044.2810 298.5880 -161999.6168 -109681.7640 298.4357 4.6440 28.9698 760732.6675 0.8090 0.7102 PRESSURE: 3039800 309.496 74.3052 25.6851 74.3055 99.1128 58.5159 25.6854 58.5155 232.568 GPRESSURE: 3039800 392.963 16.3462 107.946 63.1921 120.208 134.56 -38.6718 134.793 222.703 PRESSAVG: 3039800 47.4283 16.9208 39.4912 16.9208 -47.9721 31.0348 39.4911 31.0347 -24.0527 GPRESSAVG: 3039800 46.2548 17.2499 39.7489 17.6368 -47.0803 31.2766 41.5371 33.9416 -23.6199 TIMING: 3039800 CPU: 9671.85, 0.00310618/step Wall: 9671.85, 0.00310618/step, 1.69132 hours remaining, 233.507812 MB of memory in use. ENERGY: 3039800 4030.8485 20523.1071 14491.1908 246.9977 -203879.2453 2824.9961 0.0000 0.0000 51864.7811 -109897.3239 298.0676 -161762.1051 -109538.1969 298.2708 213.7257 245.2911 761421.0730 -8.1988 -8.1485 PRESSURE: 3040000 -134.165 199.08 41.1694 199.079 -285.092 32.5695 41.1697 32.5678 -287.941 GPRESSURE: 3040000 -33.8604 159.263 -94.6326 182.608 -324.87 56.5611 50.7279 -99.0494 -276.679 PRESSAVG: 3040000 3.43436 24.7319 -27.8921 24.7318 19.4956 22.9087 -27.892 22.9087 21.8996 GPRESSAVG: 3040000 2.65388 24.0764 -27.285 22.6242 20.8506 22.2104 -29.8532 20.6332 20.6654 TIMING: 3040000 CPU: 9672.47, 0.00311306/step Wall: 9672.47, 0.00311306/step, 1.69489 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3040000 4069.5501 20625.6172 14539.2567 255.8409 -203694.1020 2300.9586 0.0000 0.0000 51968.0689 -109934.8095 298.6612 -161902.8785 -109578.2664 298.3405 -235.7326 -211.8031 760791.3450 14.9432 14.7233 PRESSURE: 3040200 -73.2746 73.2109 -19.5183 73.2108 -1.98749 -119.419 -19.5181 -119.42 -231.655 GPRESSURE: 3040200 12.9004 38.449 -108.521 45.4425 -4.08889 -159.242 79.1384 -173.554 -233.372 PRESSAVG: 3040200 12.9126 12.3131 45.2073 12.313 36.2202 5.49869 45.2074 5.49875 -11.5074 GPRESSAVG: 3040200 12.8358 10.8362 42.5531 15.3008 34.9232 5.15587 47.4843 6.65462 -10.5717 TIMING: 3040200 CPU: 9673.09, 0.00311114/step Wall: 9673.09, 0.00311114/step, 1.69367 hours remaining, 233.507812 MB of memory in use. ENERGY: 3040200 4002.0571 20363.4659 14521.9235 266.2330 -203721.6719 2516.2451 0.0000 0.0000 52026.5586 -110025.1886 298.9973 -162051.7472 -109654.8883 298.4178 -102.3058 -74.8536 760337.5446 12.5418 12.3958 LDB: ============= START OF LOAD BALANCING ============== 9685.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9685.51 LDB: =============== DONE WITH MIGRATION ================ 9685.51 LDB: ============= START OF LOAD BALANCING ============== 9685.83 LDB: Largest compute 7075 load 0.029990 is 15.3% of average load 0.195621 LDB: Average compute 0.004378 is 2.2% of average load 0.195621 LDB: TIME 9685.83 LOAD: AVG 0.195621 MAX 0.219909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.688 MB LDB: TIME 9685.83 LOAD: AVG 0.195621 MAX 0.219909 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: TIME 9685.83 LOAD: AVG 0.195621 MAX 0.217147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: ============== END OF LOAD BALANCING =============== 9685.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9685.84 PRESSURE: 3040400 76.8603 75.0627 267.829 75.0636 -256.413 -150.662 267.829 -150.661 -42.5383 GPRESSURE: 3040400 108.094 18.5954 307.959 24.6263 -225.972 -55.4209 250.082 -175.385 -3.46607 PRESSAVG: 3040400 -45.3283 20.4939 10.7452 20.4939 -10.8489 0.909225 10.7452 0.909173 -8.62826 GPRESSAVG: 3040400 -43.917 21.9756 12.3328 19.8589 -10.6278 2.06647 10.8646 0.259298 -10.2032 TIMING: 3040400 CPU: 9673.73, 0.00318779/step Wall: 9673.73, 0.00318778/step, 1.73522 hours remaining, 234.585938 MB of memory in use. ENERGY: 3040400 4038.2219 20275.5486 14592.0818 246.4039 -203400.3238 2301.4902 0.0000 0.0000 51859.4024 -110087.1750 298.0367 -161946.5774 -109720.4431 298.0799 -74.0304 -40.4483 758922.4573 -21.6018 -21.5827 PRESSURE: 3040600 111.866 -91.6478 12.6485 -91.6482 -41.5164 47.9584 12.648 47.9576 170.782 GPRESSURE: 3040600 93.9578 -218.579 -27.2251 -53.3539 67.1127 48.9532 -33.4822 156.957 167.837 PRESSAVG: 3040600 51.0629 -4.05581 -11.4365 -4.05581 -43.8614 4.01793 -11.4366 4.01792 -4.90475 GPRESSAVG: 3040600 49.9217 -4.97543 -11.4003 -4.86411 -43.7622 1.73634 -12.5522 6.2718 -3.80131 TIMING: 3040600 CPU: 9674.36, 0.0031295/step Wall: 9674.36, 0.0031295/step, 1.70332 hours remaining, 234.914062 MB of memory in use. ENERGY: 3040600 3881.4322 20477.9908 14476.3483 218.7955 -203524.8284 2482.2475 0.0000 0.0000 51978.0099 -110010.0042 298.7183 -161988.0142 -109651.4429 298.3936 80.3770 109.6359 758162.2670 0.7656 0.7861 PRESSURE: 3040800 39.4224 -79.295 -12.4403 -79.2954 -253.573 137.065 -12.4406 137.065 114.465 GPRESSURE: 3040800 16.9572 26.5042 -15.8132 -134.776 -166.536 237.019 -110.524 145.549 115.938 PRESSAVG: 3040800 9.86942 -19.5861 26.3744 -19.5861 -8.33677 0.63821 26.3745 0.638179 14.4484 GPRESSAVG: 3040800 9.60403 -17.0734 25.2664 -20.8312 -7.61185 4.06427 25.4429 -1.8617 14.1216 TIMING: 3040800 CPU: 9674.98, 0.00312935/step Wall: 9674.98, 0.00312935/step, 1.70306 hours remaining, 235.171875 MB of memory in use. ENERGY: 3040800 3995.2806 20534.9119 14518.5645 263.5232 -203318.3991 2125.5262 0.0000 0.0000 51850.5865 -110030.0063 297.9860 -161880.5927 -109674.6861 298.1523 -33.2286 -11.2136 759848.0727 5.3270 5.3713 PRESSURE: 3041000 100.765 15.1253 -86.5678 15.1257 -205.533 83.7866 -86.5675 83.7864 -180.888 GPRESSURE: 3041000 92.8467 3.54258 16.3839 -23.4799 -116.15 99.1195 -8.53176 196.043 -174.461 PRESSAVG: 3041000 34.8166 -8.40126 -15.8987 -8.40129 -19.8982 41.2969 -15.8987 41.2969 -13.4668 GPRESSAVG: 3041000 35.8376 -8.39398 -14.8792 -6.62249 -20.4882 41.3149 -12.4835 41.9921 -13.898 TIMING: 3041000 CPU: 9675.61, 0.00314313/step Wall: 9675.61, 0.00314313/step, 1.71039 hours remaining, 235.238281 MB of memory in use. ENERGY: 3041000 3971.4638 20397.2640 14440.5035 246.9527 -203631.6501 2615.3867 0.0000 0.0000 51920.6019 -110039.4774 298.3884 -161960.0793 -109685.5305 297.7523 -95.2189 -65.9214 758974.7493 0.4839 0.4838 PRESSURE: 3041200 466.872 -142.901 -369.197 -142.901 502.689 -197.682 -369.198 -197.684 510.478 GPRESSURE: 3041200 522.116 -130.21 -450.85 -107.845 479.817 -216.947 -430.129 -135.446 542.127 PRESSAVG: 3041200 47.2558 49.6684 25.569 49.6684 -55.3111 22.8629 25.5689 22.8629 11.7448 GPRESSAVG: 3041200 47.0619 48.7776 26.3313 48.9281 -55.9292 20.4713 24.2828 23.4784 11.9967 TIMING: 3041200 CPU: 9676.24, 0.00313169/step Wall: 9676.24, 0.00313169/step, 1.70399 hours remaining, 235.238281 MB of memory in use. ENERGY: 3041200 3898.8558 20459.3968 14533.6198 244.8181 -203654.4987 2794.4671 0.0000 0.0000 51740.5140 -109982.8271 297.3534 -161723.3411 -109626.1956 297.7557 493.3463 514.6867 760802.3640 1.2298 1.0431 PRESSURE: 3041400 -83.6645 -152.363 -192.391 -152.363 213.829 35.5884 -192.391 35.5873 -528.847 GPRESSURE: 3041400 4.00936 -74.6082 -179.876 -183.828 172.313 81.413 -178.41 52.1737 -516.273 PRESSAVG: 3041400 -12.4718 55.8611 -11.3807 55.8611 9.21239 44.6981 -11.3808 44.6982 19.1091 GPRESSAVG: 3041400 -12.4516 55.4747 -13.1922 57.8119 8.1204 45.0699 -12.249 45.8918 19.752 TIMING: 3041400 CPU: 9676.87, 0.00314226/step Wall: 9676.87, 0.00314226/step, 1.70956 hours remaining, 235.312500 MB of memory in use. ENERGY: 3041400 3960.4872 20529.1860 14528.7521 238.6057 -203491.8396 2432.0905 0.0000 0.0000 51997.4038 -109805.3143 298.8298 -161802.7181 -109437.4617 298.2456 -132.8942 -113.3166 760232.2602 5.2832 5.1403 PRESSURE: 3041600 330.635 -117.759 -10.1932 -117.759 12.7745 91.3046 -10.1927 91.3054 402.09 GPRESSURE: 3041600 274.965 -23.1596 39.7104 22.1259 146.428 54.7602 93.3391 11.2515 413.263 PRESSAVG: 3041600 25.4765 19.3321 43.2355 19.3321 -4.83761 7.22737 43.2355 7.2274 9.18129 GPRESSAVG: 3041600 24.8262 19.468 44.873 17.5519 -2.96636 7.11115 44.2837 8.06084 8.46915 TIMING: 3041600 CPU: 9677.5, 0.00315258/step Wall: 9677.5, 0.00315257/step, 1.715 hours remaining, 235.312500 MB of memory in use. ENERGY: 3041600 3868.9307 20447.0018 14515.2846 258.0318 -203567.9297 2639.8608 0.0000 0.0000 51854.4690 -109984.3510 298.0083 -161838.8200 -109613.5548 298.4031 248.4997 278.2188 760862.7822 9.9401 10.1097 PRESSURE: 3041800 -155.658 40.476 14.4514 40.4759 38.3142 82.4148 14.4505 82.4152 208.697 GPRESSURE: 3041800 -52.4257 123.437 11.9647 23.6255 33.0038 11.8825 -122.944 109.52 232.443 PRESSAVG: 3041800 74.9783 1.36318 87.1392 1.36317 -36.9958 25.4003 87.1393 25.4003 -15.3762 GPRESSAVG: 3041800 75.5242 2.81759 85.1861 -0.02956 -38.1534 24.4823 87.2088 24.9303 -14.6912 TIMING: 3041800 CPU: 9678.13, 0.00315197/step Wall: 9678.13, 0.00315197/step, 1.7145 hours remaining, 235.312500 MB of memory in use. ENERGY: 3041800 3927.0392 20526.2259 14565.9433 240.6900 -203636.1453 2500.8800 0.0000 0.0000 51937.9183 -109937.4485 298.4879 -161875.3668 -109580.5301 298.9289 30.4510 71.0071 759915.3794 7.5354 7.5599 PRESSURE: 3042000 -77.0039 263.331 -122.768 263.332 -116.193 -239.289 -122.768 -239.29 204.958 GPRESSURE: 3042000 18.2635 142.154 -263.247 326.199 -87.9588 -165.541 -27.1456 -158.651 150.345 PRESSAVG: 3042000 -13.1421 29.3195 8.63099 29.3195 -30.2953 -33.0845 8.63101 -33.0845 24.7731 GPRESSAVG: 3042000 -11.8426 27.3642 9.02444 31.6654 -30.7149 -32.0765 8.27058 -33.591 23.4055 TIMING: 3042000 CPU: 9678.76, 0.0031404/step Wall: 9678.76, 0.0031404/step, 1.70803 hours remaining, 235.312500 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: 3042000 3886.4780 20369.7253 14517.9871 244.3286 -203267.9603 2271.4876 0.0000 0.0000 51970.1510 -110007.8027 298.6732 -161977.9537 -109640.1388 298.1549 3.9203 26.8833 759997.1796 -6.2214 -6.3840 PRESSURE: 3042200 -97.7903 -11.6256 -20.8298 -11.6256 94.2377 -154.282 -20.8296 -154.282 -68.3989 GPRESSURE: 3042200 -54.9169 23.7845 -14.1814 36.3427 168.589 -100.83 -0.00557706 -118.307 -102.09 PRESSAVG: 3042200 28.5702 32.4628 -9.36422 32.4628 -47.0368 -28.739 -9.36418 -28.739 -0.066467 GPRESSAVG: 3042200 26.1135 33.5399 -8.32572 30.1279 -44.573 -27.6721 -8.94816 -30.2391 0.0377777 TIMING: 3042200 CPU: 9679.39, 0.00314443/step Wall: 9679.39, 0.00314443/step, 1.71004 hours remaining, 235.312500 MB of memory in use. ENERGY: 3042200 3990.7407 20540.9454 14444.7922 256.8583 -203657.7626 2445.7058 0.0000 0.0000 52201.6899 -109777.0303 300.0038 -161978.7202 -109404.7387 298.4343 -23.9838 3.8607 759416.5224 -6.1777 -6.1406 PRESSURE: 3042400 210.444 80.9025 -45.8266 80.9012 228.574 58.2775 -45.8267 58.2778 -184.389 GPRESSURE: 3042400 213.159 140.591 -117.317 128.208 261.609 106.275 -28.3658 79.0988 -121.236 PRESSAVG: 3042400 59.452 -14.4143 4.1927 -14.4143 -36.8303 -6.76204 4.19265 -6.76205 4.23176 GPRESSAVG: 3042400 60.7864 -15.583 2.92894 -11.3498 -38.7408 -7.61102 5.16617 -5.79613 5.10263 TIMING: 3042400 CPU: 9680.01, 0.00314779/step Wall: 9680.01, 0.00314779/step, 1.7117 hours remaining, 235.312500 MB of memory in use. ENERGY: 3042400 3995.4877 20467.2463 14522.7018 263.5714 -203379.6401 2422.4816 0.0000 0.0000 52056.3550 -109651.7964 299.1686 -161708.1514 -109281.4823 299.2876 84.8761 117.8438 760641.1876 8.9512 9.0494 PRESSURE: 3042600 -299.068 -3.96363 132.27 -3.96236 165.92 -66.9064 132.27 -66.9065 -305.538 GPRESSURE: 3042600 -219.216 46.2505 39.4228 -35.433 323.824 -2.28291 151.238 -138.321 -454.471 PRESSAVG: 3042600 29.2287 16.405 28.7441 16.405 -59.2901 3.71839 28.7441 3.71845 13.6318 GPRESSAVG: 3042600 30.3822 15.5875 27.4815 15.697 -59.8083 3.75787 28.3425 3.85461 12.64 TIMING: 3042600 CPU: 9680.64, 0.00313378/step Wall: 9680.64, 0.00313378/step, 1.7039 hours remaining, 235.312500 MB of memory in use. ENERGY: 3042600 3979.0878 20409.9343 14496.1091 241.8112 -203343.5210 2511.5132 0.0000 0.0000 51975.0945 -109729.9710 298.7016 -161705.0655 -109361.7634 298.6992 -146.2288 -116.6208 761972.3951 -5.4765 -5.5954 PRESSURE: 3042800 -56.5825 38.145 494.248 38.1449 -93.8123 -25.3355 494.249 -25.3348 -234.306 GPRESSURE: 3042800 -62.6755 -25.9595 549.558 -23.448 -22.2735 -40.894 346.543 -101.926 -224.72 PRESSAVG: 3042800 -5.61325 6.21319 77.3462 6.21325 -8.4351 -48.6776 77.3462 -48.6776 11.5835 GPRESSAVG: 3042800 -7.64422 6.61179 79.6894 5.20449 -6.23215 -49.6798 74.8252 -48.4921 11.9846 TIMING: 3042800 CPU: 9681.27, 0.00312591/step Wall: 9681.27, 0.00312591/step, 1.69945 hours remaining, 235.312500 MB of memory in use. ENERGY: 3042800 3944.2600 20444.5723 14573.1611 229.8754 -203668.7187 2594.4865 0.0000 0.0000 52469.1636 -109413.1997 301.5410 -161882.3633 -109043.3535 299.2939 -128.2337 -103.2230 761527.2038 -0.8216 -0.6306 PRESSURE: 3043000 -92.148 -159.215 183.846 -159.216 -440.012 -135.788 183.846 -135.788 402.738 GPRESSURE: 3043000 35.0758 -81.1497 147.136 -194.438 -462.475 -119.113 95.4334 -122.42 398.66 PRESSAVG: 3043000 24.7558 -42.4555 76.8281 -42.4556 -38.7869 -0.0979856 76.8281 -0.0980608 14.2705 GPRESSAVG: 3043000 25.3107 -40.7329 74.9163 -42.4592 -38.7442 -0.28996 77.8073 0.183488 14.0643 TIMING: 3043000 CPU: 9681.89, 0.00313285/step Wall: 9681.89, 0.00313285/step, 1.70305 hours remaining, 235.312500 MB of memory in use. ENERGY: 3043000 3957.4587 20721.6769 14589.3765 246.5906 -203667.2467 2600.8769 0.0000 0.0000 51914.8819 -109636.3853 298.3555 -161551.2672 -109281.0177 299.2845 -43.1408 -9.5796 761494.8796 0.0798 0.2103 PRESSURE: 3043200 -125.579 -3.36931 -62.7003 -3.36947 -100.379 115.932 -62.7007 115.932 -322.13 GPRESSURE: 3043200 -9.07726 -29.7829 140.109 -71.7799 -106.409 138.036 -246.589 109.398 -371.509 PRESSAVG: 3043200 4.69308 -3.87543 41.585 -3.87543 5.35843 -24.5635 41.585 -24.5635 30.3896 GPRESSAVG: 3043200 5.12525 -6.09997 43.6142 -4.03409 4.58869 -24.1796 41.3272 -24.8714 30.3416 TIMING: 3043200 CPU: 9682.52, 0.00313601/step Wall: 9682.52, 0.00313601/step, 1.70459 hours remaining, 235.312500 MB of memory in use. ENERGY: 3043200 3955.9545 20747.0398 14516.8122 256.3279 -203491.0989 2543.2409 0.0000 0.0000 52109.9555 -109361.7681 299.4766 -161471.7236 -109007.3450 299.2620 -182.6959 -162.3317 761041.5514 13.4804 13.3518 PRESSURE: 3043400 -5.66416 57.4857 173.7 57.4857 144.633 -115.179 173.7 -115.179 -101.739 GPRESSURE: 3043400 111.358 85.2778 260.626 11.909 103.027 -79.5529 204.627 -184.013 -93.4047 PRESSAVG: 3043400 50.7811 -25.7238 24.6639 -25.7237 -40.1269 3.6873 24.6639 3.68726 -10.9392 GPRESSAVG: 3043400 51.1082 -23.0988 24.4559 -26.6667 -41.1277 3.90291 24.4973 4.16901 -10.4118 TIMING: 3043400 CPU: 9683.15, 0.00313143/step Wall: 9683.15, 0.00313143/step, 1.70193 hours remaining, 235.312500 MB of memory in use. ENERGY: 3043400 3962.8811 20626.2353 14498.9646 226.5854 -203643.9791 2523.4140 0.0000 0.0000 52315.2718 -109490.6269 300.6566 -161805.8987 -109127.7012 299.6975 12.4101 40.3267 759072.1987 -0.0950 -0.1438 PRESSURE: 3043600 -32.9298 19.1789 -8.49764 19.1793 -74.7089 -68.3638 -8.49793 -68.3642 279.8 GPRESSURE: 3043600 -2.59518 51.6541 70.4993 -16.583 -29.2601 -20.2869 -86.7299 -166.487 316.177 PRESSAVG: 3043600 66.6628 -89.2015 42.004 -89.2015 -76.9466 -9.38019 42.004 -9.38022 3.95614 GPRESSAVG: 3043600 67.7695 -90.4348 41.8943 -88.456 -78.0175 -9.74794 43.1639 -9.2719 3.9211 TIMING: 3043600 CPU: 9683.77, 0.00312058/step Wall: 9683.77, 0.00312058/step, 1.69586 hours remaining, 235.312500 MB of memory in use. ENERGY: 3043600 4036.4485 20533.6059 14482.7912 257.1298 -203545.2074 2522.1633 0.0000 0.0000 52293.1283 -109419.9403 300.5293 -161713.0686 -109057.7365 299.5396 57.3871 94.7741 760493.6647 -2.1092 -2.1090 PRESSURE: 3043800 367.709 18.7489 -40.9028 18.7487 197.445 116.584 -40.9038 116.583 377.029 GPRESSURE: 3043800 394.925 139.187 -99.2801 67.0258 231.821 52.1144 69.0332 -51.399 395.836 PRESSAVG: 3043800 -16.1799 -9.07837 25.8485 -9.07839 -27.7762 -46.9654 25.8485 -46.9654 14.3695 GPRESSAVG: 3043800 -17.3707 -9.23978 27.183 -9.21343 -26.2881 -46.8081 26.3668 -46.0413 14.4736 TIMING: 3043800 CPU: 9684.4, 0.00312765/step Wall: 9684.4, 0.00312765/step, 1.69953 hours remaining, 235.312500 MB of memory in use. ENERGY: 3043800 4015.5483 20655.7950 14465.4054 223.2088 -203485.4579 2619.7781 0.0000 0.0000 52100.6555 -109405.0668 299.4232 -161505.7222 -109045.5696 299.9845 314.0611 340.8605 761675.8533 -9.8622 -9.7284 PRESSURE: 3044000 353.647 -11.0762 126.578 -11.0774 82.6217 26.6599 126.578 26.659 302.416 GPRESSURE: 3044000 360.846 0.983376 164.983 -91.4974 185.115 90.1656 24.4068 -69.3749 247.713 PRESSAVG: 3044000 -46.2883 28.9942 67.0951 28.9942 59.6035 -17.9478 67.095 -17.9479 13.5912 GPRESSAVG: 3044000 -46.1098 28.4689 66.3849 31.1124 59.9719 -18.6287 64.6746 -20.4146 13.3132 TIMING: 3044000 CPU: 9685.02, 0.00312407/step Wall: 9685.02, 0.00312407/step, 1.69741 hours remaining, 235.312500 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: 3044000 4004.7550 20493.5854 14534.4268 251.4393 -204256.6144 3167.3025 0.0000 0.0000 52401.5223 -109403.5830 301.1523 -161805.1054 -109048.0804 299.2880 246.2283 264.5580 760008.9722 8.9688 9.0584 PRESSURE: 3044200 -94.619 10.4246 6.91134 10.4237 367.796 38.6684 6.91049 38.6689 221.495 GPRESSURE: 3044200 20.3742 -51.1762 20.6841 -24.2993 377.306 32.4082 93.7458 103.124 177.446 PRESSAVG: 3044200 -3.17035 -3.8051 76.0671 -3.80504 2.95823 36.2382 76.0671 36.2381 -1.95326 GPRESSAVG: 3044200 -2.32858 -1.58987 74.5583 -6.59517 2.63934 36.1849 79.3116 37.7684 -2.37055 TIMING: 3044200 CPU: 9685.65, 0.00312185/step Wall: 9685.65, 0.00312185/step, 1.69603 hours remaining, 235.312500 MB of memory in use. ENERGY: 3044200 4029.0697 20446.2365 14528.7053 253.2858 -203764.8730 2743.6612 0.0000 0.0000 52226.4423 -109537.4722 300.1461 -161763.9145 -109164.6135 299.3224 164.8905 191.7089 759865.5288 -0.7218 -0.6866 LDB: ============= START OF LOAD BALANCING ============== 9698.06 LDB: ============== END OF LOAD BALANCING =============== 9698.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9698.06 LDB: ============= START OF LOAD BALANCING ============== 9698.37 LDB: Largest compute 7025 load 0.029803 is 15.2% of average load 0.195532 LDB: Average compute 0.004401 is 2.3% of average load 0.195532 LDB: TIME 9698.38 LOAD: AVG 0.195532 MAX 0.218042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.555 MB LDB: TIME 9698.38 LOAD: AVG 0.195532 MAX 0.218042 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: TIME 9698.38 LOAD: AVG 0.195532 MAX 0.218042 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: ============== END OF LOAD BALANCING =============== 9698.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9698.38 PRESSURE: 3044400 89.4869 -147.125 14.7746 -147.124 -224.591 129.765 14.7756 129.764 -106.084 GPRESSURE: 3044400 121.909 -293.443 44.1362 -61.3584 -236.346 103.669 -92.5871 133.312 -15.5959 PRESSAVG: 3044400 58.2336 -67.4053 63.1248 -67.4054 -11.7358 2.5324 63.1247 2.53238 -6.15597 GPRESSAVG: 3044400 58.405 -67.1079 63.3117 -66.8687 -12.1876 2.7879 62.5539 2.84821 -5.19012 TIMING: 3044400 CPU: 9686.28, 0.00316557/step Wall: 9686.28, 0.00316557/step, 1.71961 hours remaining, 233.117188 MB of memory in use. ENERGY: 3044400 4021.1502 20444.8312 14586.0683 246.6034 -203327.6760 2544.6707 0.0000 0.0000 51981.3233 -109503.0289 298.7374 -161484.3522 -109133.4831 299.6079 -80.3960 -43.3445 760587.0551 13.4473 13.6758 PRESSURE: 3044600 -245.282 -29.5967 -149.805 -29.5964 72.4209 -10.763 -149.804 -10.7638 10.3357 GPRESSURE: 3044600 -280.681 12.3541 -88.2892 -42.9363 144.06 -69.7311 -253.007 42.6896 55.7526 PRESSAVG: 3044600 5.3766 -43.1137 -2.77947 -43.1137 23.8144 23.1774 -2.77945 23.1775 2.98176 GPRESSAVG: 3044600 4.74202 -45.0136 -1.63197 -44.4908 23.5372 23.4481 -3.61156 22.6145 3.95238 TIMING: 3044600 CPU: 9686.9, 0.00311941/step Wall: 9686.9, 0.00311941/step, 1.69436 hours remaining, 233.117188 MB of memory in use. ENERGY: 3044600 4044.6280 20452.2368 14583.1371 259.6816 -203406.9171 2601.7137 0.0000 0.0000 51722.9915 -109742.5284 297.2527 -161465.5200 -109371.3768 299.0120 -54.1750 -26.9561 760502.9863 10.7243 10.7439 PRESSURE: 3044800 400.001 59.8816 92.213 59.8815 -244.925 21.2987 92.2125 21.2991 54.8011 GPRESSURE: 3044800 271.682 -6.80009 73.6003 149.619 -48.4064 -41.9858 88.3371 13.8585 58.0985 PRESSAVG: 3044800 -24.5201 -60.2417 -11.7521 -60.2417 -26.6384 24.2025 -11.7521 24.2025 6.41957 GPRESSAVG: 3044800 -23.8264 -58.7879 -11.0718 -57.2274 -26.3849 23.7911 -12.5682 24.0261 4.98542 TIMING: 3044800 CPU: 9687.53, 0.00313337/step Wall: 9687.53, 0.00313337/step, 1.70177 hours remaining, 233.117188 MB of memory in use. ENERGY: 3044800 4032.6070 20501.2216 14536.0403 266.0805 -203737.5898 2684.0319 0.0000 0.0000 52005.3602 -109712.2483 298.8755 -161717.6085 -109347.7347 298.9189 69.9591 93.7914 761141.9082 -14.9130 -15.0753 PRESSURE: 3045000 62.0123 114.061 29.1978 114.061 -286.815 -179.252 29.1973 -179.252 105.704 GPRESSURE: 3045000 23.8626 57.1119 -7.10611 129.849 -112.867 -174.732 43.8309 -185.373 61.5405 PRESSAVG: 3045000 -35.0199 47.8569 45.2398 47.8569 26.7296 47.3637 45.2398 47.3636 -19.3723 GPRESSAVG: 3045000 -36.3335 45.8083 44.1519 46.8872 27.8965 47.0439 45.9441 48.16 -19.1931 TIMING: 3045000 CPU: 9688.15, 0.00311225/step Wall: 9688.15, 0.00311225/step, 1.69012 hours remaining, 233.117188 MB of memory in use. ENERGY: 3045000 3907.6232 20438.4881 14447.2628 250.5970 -203882.0178 2761.6149 0.0000 0.0000 52091.6701 -109984.7618 299.3715 -162076.4319 -109611.0484 298.1670 -39.6995 -9.1546 761027.4246 -9.2209 -9.2100 PRESSURE: 3045200 51.9694 148.12 8.60591 148.119 -287.21 77.5852 8.60585 77.5847 -245.537 GPRESSURE: 3045200 20.1178 156.039 -65.4589 128.744 -295.302 63.856 -14.1216 65.3754 -115.202 PRESSAVG: 3045200 -2.5404 4.33946 3.2621 4.3395 -31.307 49.1836 3.26212 49.1836 -4.52412 GPRESSAVG: 3045200 -2.25723 5.68138 3.62856 5.69951 -31.3287 49.1343 2.61428 48.9318 -4.91516 TIMING: 3045200 CPU: 9688.77, 0.00310841/step Wall: 9688.77, 0.00310841/step, 1.68786 hours remaining, 233.117188 MB of memory in use. ENERGY: 3045200 3912.1848 20454.9454 14554.2505 244.4587 -203554.2257 2611.6121 0.0000 0.0000 51952.4342 -109824.3400 298.5714 -161776.7742 -109467.7345 298.5119 -160.2594 -130.1287 761176.5250 -12.7905 -12.8337 PRESSURE: 3045400 -17.4805 -63.3636 -151.334 -63.3636 -182.366 -56.1833 -151.334 -56.1831 256.286 GPRESSURE: 3045400 -15.6844 -46.8757 -122.591 -23.6505 -24.6021 -71.8729 -165.184 -116.214 202.244 PRESSAVG: 3045400 46.4904 0.992626 -22.6974 0.992565 -54.7089 -23.8284 -22.6974 -23.8284 -18.2891 GPRESSAVG: 3045400 48.0881 -0.497398 -21.5237 0.561184 -55.6823 -24.5372 -21.8667 -22.0896 -18.8871 TIMING: 3045400 CPU: 9689.4, 0.00311873/step Wall: 9689.4, 0.00311874/step, 1.6933 hours remaining, 233.117188 MB of memory in use. ENERGY: 3045400 3960.3813 20505.1857 14544.5446 252.5496 -203842.4721 2874.7119 0.0000 0.0000 51764.6087 -109940.4903 297.4919 -161705.0990 -109572.3450 298.4036 18.8129 53.9859 759998.1283 -8.8359 -8.8271 PRESSURE: 3045600 93.851 57.1625 89.5192 57.1623 -42.419 -123.748 89.5185 -123.747 75.7275 GPRESSURE: 3045600 102.794 -68.1675 170.172 77.5305 -10.7205 -83.0958 40.5619 -173.314 130.679 PRESSAVG: 3045600 60.3521 30.2182 4.28526 30.2182 -61.8739 -29.4983 4.28517 -29.4984 -6.51242 GPRESSAVG: 3045600 58.6972 31.1068 2.62411 28.4335 -61.3943 -28.6807 4.41451 -31.4032 -5.3287 TIMING: 3045600 CPU: 9690.02, 0.00311394/step Wall: 9690.02, 0.00311394/step, 1.69053 hours remaining, 233.117188 MB of memory in use. ENERGY: 3045600 3965.5027 20453.6390 14462.6406 271.6497 -203445.7796 2532.0822 0.0000 0.0000 51769.2075 -109991.0579 297.5183 -161760.2654 -109634.0937 298.6517 42.3865 74.2509 762711.3837 -2.6781 -2.6752 PRESSURE: 3045800 -309.784 -271.738 -198.582 -271.737 -292.619 177.231 -198.583 177.231 -436.447 GPRESSURE: 3045800 -353.828 -222.339 -181.381 -323.714 -172.391 216.016 -136.09 52.0875 -437.501 PRESSAVG: 3045800 37.5908 -24.4327 -7.69752 -24.4327 -17.9873 66.64 -7.69753 66.64 5.92994 GPRESSAVG: 3045800 37.7197 -24.694 -9.14992 -23.3841 -17.6536 66.6289 -7.8146 67.7204 5.56002 TIMING: 3045800 CPU: 9690.64, 0.00311421/step Wall: 9690.64, 0.00311421/step, 1.69049 hours remaining, 233.117188 MB of memory in use. ENERGY: 3045800 4062.6974 20445.3144 14614.3097 242.8284 -203489.5362 2594.2676 0.0000 0.0000 51765.0921 -109765.0267 297.4947 -161530.1188 -109415.5788 298.3010 -346.2834 -321.2401 763387.4879 8.5112 8.5421 PRESSURE: 3046000 -182.61 -29.7087 83.1373 -29.7085 -155.054 311.392 83.1366 311.392 -392.583 GPRESSURE: 3046000 -144.929 46.8221 103.672 25.6512 -133.875 292.769 -3.86493 219.752 -384.258 PRESSAVG: 3046000 17.2279 8.75474 -38.3463 8.75474 -10.4731 56.1278 -38.3463 56.1278 3.73137 GPRESSAVG: 3046000 16.4274 8.36392 -36.6783 8.89264 -9.89905 55.8939 -40.4683 55.4452 3.81649 TIMING: 3046000 CPU: 9691.27, 0.00312485/step Wall: 9691.27, 0.00312485/step, 1.6961 hours remaining, 233.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3046000 4057.6915 20509.0578 14534.9577 242.4676 -203707.0099 2617.2655 0.0000 0.0000 51893.9017 -109851.6681 298.2350 -161745.5698 -109507.2994 298.4688 -243.4158 -221.0207 760910.4962 3.4954 3.4483 PRESSURE: 3046200 180.249 22.1383 344.987 22.1386 -137.413 48.4113 344.987 48.4122 -65.3441 GPRESSURE: 3046200 122.42 19.0968 351.682 115.8 -121.149 -43.0985 383.103 -22.502 47.2163 PRESSAVG: 3046200 17.2808 34.8375 -0.165198 34.8374 -6.13261 32.7207 -0.165227 32.7206 10.2887 GPRESSAVG: 3046200 18.3396 34.8596 -0.783854 36.7087 -7.6248 32.5342 2.59903 31.9025 10.4944 TIMING: 3046200 CPU: 9691.9, 0.00314325/step Wall: 9691.9, 0.00314325/step, 1.70591 hours remaining, 233.117188 MB of memory in use. ENERGY: 3046200 4008.1753 20488.1654 14502.0700 256.5339 -203867.2153 2606.0214 0.0000 0.0000 52196.7833 -109809.4660 299.9756 -162006.2493 -109450.8596 298.7244 -7.5025 16.1626 760694.8239 7.1456 7.0697 PRESSURE: 3046400 -256.871 -66.7384 -276.728 -66.7389 -55.7671 -95.9534 -276.728 -95.9536 -47.7064 GPRESSURE: 3046400 -154.139 -145.478 -231.568 -120.907 -90.3219 -23.0172 -223.178 -85.0577 -29.0156 PRESSAVG: 3046400 -35.029 44.2442 -36.4664 44.2442 -17.2645 24.3242 -36.4664 24.3242 -12.2646 GPRESSAVG: 3046400 -34.8433 43.8772 -35.9858 42.9401 -16.7867 25.0913 -36.0639 25.629 -12.3925 TIMING: 3046400 CPU: 9692.52, 0.00311416/step Wall: 9692.52, 0.00311416/step, 1.68995 hours remaining, 233.117188 MB of memory in use. ENERGY: 3046400 4006.4308 20509.1181 14525.9393 231.0534 -203416.6446 2302.1321 0.0000 0.0000 52091.8799 -109750.0911 299.3727 -161841.9710 -109386.3840 298.5343 -120.1149 -91.1590 761720.5690 -21.5194 -21.3408 PRESSURE: 3046600 -50.3778 -81.8813 216.13 -81.8805 140.231 100.252 216.13 100.252 -106.648 GPRESSURE: 3046600 -37.5798 -55.2631 297.716 -91.7016 166.486 47.7888 121.419 -49.8108 -36.0882 PRESSAVG: 3046600 -17.2838 -13.7155 0.553622 -13.7155 51.8387 19.2024 0.553557 19.2024 -0.794867 GPRESSAVG: 3046600 -18.5129 -12.9771 0.59437 -13.8247 53.0827 18.7713 -2.47251 17.5388 -0.800751 TIMING: 3046600 CPU: 9693.14, 0.00310835/step Wall: 9693.14, 0.00310835/step, 1.68662 hours remaining, 233.117188 MB of memory in use. ENERGY: 3046600 4053.1972 20450.3818 14538.3981 247.9896 -203673.2373 2770.2087 0.0000 0.0000 51845.6717 -109767.3901 297.9578 -161613.0618 -109408.7953 298.7651 -5.5982 30.9393 761805.1927 11.2533 11.2563 PRESSURE: 3046800 149.598 11.7803 -248.662 11.7803 -160.273 -165.161 -248.662 -165.162 -92.8118 GPRESSURE: 3046800 -13.521 17.2198 -202.18 33.7768 5.21326 -169.27 -81.4397 -260.587 -24.3829 PRESSAVG: 3046800 8.98248 3.2974 -47.5422 3.29741 -11.8036 -29.8984 -47.5422 -29.8985 -20.4509 GPRESSAVG: 3046800 9.29234 5.3665 -48.3599 1.65621 -12.7318 -28.6524 -45.9194 -29.8184 -20.4359 TIMING: 3046800 CPU: 9693.76, 0.00311901/step Wall: 9693.76, 0.00311901/step, 1.69223 hours remaining, 233.117188 MB of memory in use. ENERGY: 3046800 4001.0473 20430.2796 14436.1630 251.3150 -203210.2072 2525.8379 0.0000 0.0000 51904.3581 -109661.2064 298.2951 -161565.5645 -109302.7600 298.9699 -34.4957 -10.8969 761158.9740 -7.7573 -7.9585 PRESSURE: 3047000 -110.097 21.8209 -182.13 21.8209 -227.172 275.002 -182.131 275.002 -23.2056 GPRESSURE: 3047000 -93.5172 -146.017 -198.276 -156.546 -213.656 337.403 -190.929 189.589 12.2119 PRESSAVG: 3047000 9.9136 -3.83093 -29.7481 -3.83091 34.7557 -7.37664 -29.7481 -7.37668 14.8106 GPRESSAVG: 3047000 9.52764 -6.11432 -28.1305 -2.1131 34.8918 -8.05585 -29.5466 -7.17251 14.6414 TIMING: 3047000 CPU: 9694.39, 0.00311738/step Wall: 9694.39, 0.00311738/step, 1.69118 hours remaining, 233.117188 MB of memory in use. ENERGY: 3047000 4067.3260 20495.0953 14451.7348 238.1031 -202985.5765 2332.4388 0.0000 0.0000 51741.6642 -109659.2143 297.3601 -161400.8785 -109304.1293 298.6219 -120.1584 -98.3206 761657.1237 19.8266 19.6869 PRESSURE: 3047200 -58.7195 176.48 -61.4708 176.48 -418.766 -240.117 -61.4701 -240.118 -344.006 GPRESSURE: 3047200 -99.9595 167.755 -49.9097 116.477 -281.817 -196.188 -8.98223 -258.113 -364.816 PRESSAVG: 3047200 11.0289 -35.1528 -18.5845 -35.1528 -27.7547 10.2006 -18.5845 10.2007 6.42278 GPRESSAVG: 3047200 11.3874 -33.4368 -18.0566 -35.457 -27.5831 10.3988 -18.9139 11.0766 6.42505 TIMING: 3047200 CPU: 9695.01, 0.00313105/step Wall: 9695.01, 0.00313105/step, 1.69842 hours remaining, 233.117188 MB of memory in use. ENERGY: 3047200 4050.4090 20330.4718 14477.7677 251.4889 -203105.8851 2057.6303 0.0000 0.0000 52203.7773 -109734.3402 300.0158 -161938.1174 -109374.8972 298.7140 -273.8306 -248.8645 759431.2455 -3.4343 -3.2569 PRESSURE: 3047400 -16.1239 -57.825 115.149 -57.824 -106.842 -116.341 115.149 -116.34 195.422 GPRESSURE: 3047400 -3.90951 -60.5231 139.959 -127.519 -44.1701 -77.22 130.095 -217.482 202.839 PRESSAVG: 3047400 59.5632 -14.6539 16.6731 -14.6539 -35.6406 11.6814 16.6731 11.6814 -19.6011 GPRESSAVG: 3047400 60.4642 -15.9355 16.1555 -14.7194 -36.7944 10.8682 16.9992 11.3584 -19.2524 TIMING: 3047400 CPU: 9695.64, 0.00313065/step Wall: 9695.64, 0.00313065/step, 1.69803 hours remaining, 233.117188 MB of memory in use. ENERGY: 3047400 4023.7030 20374.8624 14540.5155 234.2658 -203739.3719 2637.9479 0.0000 0.0000 52146.6358 -109781.4414 299.6874 -161928.0772 -109413.4039 298.5431 24.1522 51.5865 759637.1572 1.4405 1.4725 PRESSURE: 3047600 35.2875 170.59 -25.1434 170.589 145.646 27.2136 -25.1444 27.2138 100.043 GPRESSURE: 3047600 73.0666 109.842 -11.6948 129.183 140.976 -34.9741 -84.7157 166.998 127.168 PRESSAVG: 3047600 30.3937 -18.0765 -16.193 -18.0765 -20.3247 38.2181 -16.193 38.2181 12.2368 GPRESSAVG: 3047600 28.5905 -19.4107 -16.6959 -17.9298 -18.3661 38.6945 -16.043 37.8153 12.3613 TIMING: 3047600 CPU: 9696.27, 0.00313015/step Wall: 9696.27, 0.00313015/step, 1.69759 hours remaining, 233.117188 MB of memory in use. ENERGY: 3047600 4090.9986 20540.2266 14486.0448 246.8927 -203520.8507 2641.2223 0.0000 0.0000 51867.6419 -109647.8238 298.0841 -161515.4657 -109284.6609 299.2518 93.6587 113.7369 761668.2962 7.4353 7.5286 PRESSURE: 3047800 138.331 85.9352 166.569 85.9353 153.604 81.6137 166.569 81.6137 42.2472 GPRESSURE: 3047800 236.728 69.7379 190.343 113.468 104.862 8.89957 100.339 -8.43477 76.1934 PRESSAVG: 3047800 8.06248 -32.3682 18.1912 -32.3681 -30.6028 -6.49116 18.1912 -6.49107 -20.9849 GPRESSAVG: 3047800 10.4489 -30.3611 17.9565 -31.1352 -31.5437 -7.23541 17.9116 -6.14125 -22.1903 TIMING: 3047800 CPU: 9696.9, 0.00315785/step Wall: 9696.9, 0.00315785/step, 1.71243 hours remaining, 233.117188 MB of memory in use. ENERGY: 3047800 4001.6898 20578.2012 14464.0150 251.7897 -203241.7759 2346.7912 0.0000 0.0000 52054.9889 -109544.3001 299.1607 -161599.2890 -109183.2168 299.4174 111.3939 139.2611 760915.7285 -14.5084 -14.4284 PRESSURE: 3048000 283.157 -29.6664 12.2458 -29.6661 78.2382 225.241 12.2454 225.242 -73.1859 GPRESSURE: 3048000 275.083 -114.524 51.7558 -8.472 112.865 228.12 155.808 35.4382 -3.88719 PRESSAVG: 3048000 29.6036 -48.9397 -30.5184 -48.9398 -13.3508 -43.5579 -30.5185 -43.5579 12.316 GPRESSAVG: 3048000 29.5126 -49.2108 -30.6662 -50.4157 -13.0359 -41.9951 -30.7944 -43.2172 12.5959 TIMING: 3048000 CPU: 9697.53, 0.00313779/step Wall: 9697.53, 0.00313779/step, 1.70138 hours remaining, 233.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 4060.5102 20403.2877 14419.5115 246.9041 -203424.1259 2425.5004 0.0000 0.0000 52161.1792 -109707.2329 299.7710 -161868.4121 -109348.7887 299.2251 96.0699 128.0201 760388.8747 9.5229 9.6909 PRESSURE: 3048200 -310.258 105.393 54.2991 105.393 13.7732 134.514 54.2982 134.514 -115.533 GPRESSURE: 3048200 -263.43 0.155414 -14.586 83.2531 54.9805 85.5391 49.4751 135.996 -103.167 PRESSAVG: 3048200 3.29028 -90.7747 -31.1054 -90.7748 -0.698667 -44.0876 -31.1055 -44.0876 -3.24417 GPRESSAVG: 3048200 3.09744 -90.5229 -31.4032 -90.073 -1.2122 -46.2873 -31.5404 -46.1861 -2.96534 TIMING: 3048200 CPU: 9698.15, 0.00314307/step Wall: 9698.15, 0.00314307/step, 1.70407 hours remaining, 233.117188 MB of memory in use. ENERGY: 3048200 3997.2584 20586.5279 14427.1972 252.0981 -203722.5943 2717.2855 0.0000 0.0000 52310.3949 -109431.8322 300.6286 -161742.2272 -109074.1666 299.4596 -137.3391 -103.8721 760698.8489 -0.2175 -0.3600 LDB: ============= START OF LOAD BALANCING ============== 9710.57 LDB: ============== END OF LOAD BALANCING =============== 9710.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9710.58 LDB: ============= START OF LOAD BALANCING ============== 9710.89 LDB: Largest compute 7075 load 0.030570 is 15.6% of average load 0.195626 LDB: Average compute 0.004386 is 2.2% of average load 0.195626 LDB: TIME 9710.89 LOAD: AVG 0.195626 MAX 0.220747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 9710.89 LOAD: AVG 0.195626 MAX 0.220747 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: TIME 9710.89 LOAD: AVG 0.195626 MAX 0.216037 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: ============== END OF LOAD BALANCING =============== 9710.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9710.9 PRESSURE: 3048400 -167.971 -220.947 19.6515 -220.947 -75.8213 7.68603 19.651 7.68596 -222.18 GPRESSURE: 3048400 -103.77 -323.347 71.6617 -45.7937 6.73459 24.3569 -45.9833 11.9148 -260.349 PRESSAVG: 3048400 -9.55077 -19.7763 -33.9187 -19.7763 14.5378 -18.1731 -33.9187 -18.1732 -5.63438 GPRESSAVG: 3048400 -9.25239 -20.107 -33.0041 -20.5848 14.7238 -16.5816 -33.04 -17.4818 -6.44634 TIMING: 3048400 CPU: 9698.8, 0.00320993/step Wall: 9698.8, 0.00320993/step, 1.74014 hours remaining, 232.281250 MB of memory in use. ENERGY: 3048400 4010.4355 20490.0933 14456.2543 249.8189 -203162.4645 2506.3977 0.0000 0.0000 52028.8908 -109420.5741 299.0108 -161449.4648 -109057.6257 299.7589 -155.3239 -119.1283 760035.7299 -0.2158 -0.3250 PRESSURE: 3048600 22.2652 85.9372 -169.794 85.9375 246.799 232.634 -169.793 232.634 246.144 GPRESSURE: 3048600 67.3862 36.7799 -68.4632 74.999 274.88 188.788 -184.537 165.267 278.748 PRESSAVG: 3048600 23.4932 -39.8991 -77.3362 -39.8992 5.32608 57.6409 -77.3361 57.641 -6.95161 GPRESSAVG: 3048600 22.0153 -42.1678 -76.9254 -38.9842 5.67804 55.8858 -77.4312 60.6165 -5.72092 TIMING: 3048600 CPU: 9699.42, 0.00314145/step Wall: 9699.42, 0.00314145/step, 1.70284 hours remaining, 232.480469 MB of memory in use. ENERGY: 3048600 3983.4193 20420.4224 14482.2914 265.6585 -203646.7246 2708.7028 0.0000 0.0000 52369.5499 -109416.6803 300.9685 -161786.2302 -109052.6528 299.7926 171.7358 207.0047 759276.6823 7.2892 7.3242 PRESSURE: 3048800 54.0071 -37.3948 -71.0702 -37.3957 124.062 -26.2984 -71.07 -26.2982 -94.7379 GPRESSURE: 3048800 135.679 -123.344 -214.423 14.3015 130.481 16.4174 -137.094 -139.084 -107.21 PRESSAVG: 3048800 5.65449 -28.1364 -52.3549 -28.1364 8.83786 -25.7517 -52.3549 -25.7516 -18.9005 GPRESSAVG: 3048800 6.91899 -26.4596 -53.3096 -28.39 8.75101 -25.0335 -52.0056 -26.5389 -20.2318 TIMING: 3048800 CPU: 9700.05, 0.00310961/step Wall: 9700.05, 0.00310961/step, 1.68541 hours remaining, 232.480469 MB of memory in use. ENERGY: 3048800 3957.4528 20534.1289 14357.6657 255.4944 -203727.3871 2739.0187 0.0000 0.0000 52333.2757 -109550.3509 300.7601 -161883.6266 -109181.5153 299.8190 27.7771 52.9833 760325.2091 -1.4694 -1.5206 PRESSURE: 3049000 -148.383 -249.139 -51.2893 -249.139 133.867 -69.7244 -51.2888 -69.7257 3.73145 GPRESSURE: 3049000 -105.281 -356.78 -30.719 -159.837 140.933 -40.4762 45.6702 -94.7253 31.7389 PRESSAVG: 3049000 36.2357 -43.3862 -60.9199 -43.3861 4.95596 -10.7748 -60.9199 -10.7749 -10.9293 GPRESSAVG: 3049000 36.2924 -43.4893 -60.1951 -44.6653 5.01871 -9.62625 -58.7541 -11.434 -10.7976 TIMING: 3049000 CPU: 9700.67, 0.00314007/step Wall: 9700.67, 0.00314007/step, 1.70174 hours remaining, 232.550781 MB of memory in use. ENERGY: 3049000 3952.0272 20586.0582 14439.0268 241.4472 -203215.5091 2431.7635 0.0000 0.0000 52104.7132 -109460.4729 299.4465 -161565.1862 -109096.8194 299.9395 -3.5950 22.4638 760131.6385 10.0874 10.1712 PRESSURE: 3049200 310.24 84.5522 -74.655 84.552 316.253 -165.795 -74.6557 -165.795 268.44 GPRESSURE: 3049200 430.812 86.4627 -54.2575 88.4122 292.555 -69.8366 -109.13 -195.545 261.976 PRESSAVG: 3049200 13.8654 -9.55552 -57.4873 -9.55553 12.8902 -4.42727 -57.4874 -4.42736 -15.6406 GPRESSAVG: 3049200 13.3386 -7.91702 -55.931 -11.4716 12.5935 -4.64402 -59.0972 -4.5043 -15.3954 TIMING: 3049200 CPU: 9701.31, 0.003155/step Wall: 9701.31, 0.003155/step, 1.70966 hours remaining, 232.550781 MB of memory in use. ENERGY: 3049200 4058.8487 20438.8163 14416.7846 248.9404 -204035.9830 2947.1214 0.0000 0.0000 52432.9455 -109492.5260 301.3329 -161925.4715 -109133.6525 300.0113 298.3112 328.4476 759157.8422 3.7050 3.5122 PRESSURE: 3049400 13.1721 35.8968 -232.07 35.8961 -176.237 -202.956 -232.07 -202.956 -125.345 GPRESSURE: 3049400 24.0065 -46.3268 -163.102 101.264 -78.3348 -197.109 -149.047 -117.874 -117.605 PRESSAVG: 3049400 32.6051 -1.62949 -48.6002 -1.62948 -52.038 -31.2185 -48.6004 -31.2185 -14.707 GPRESSAVG: 3049400 33.7404 -2.92389 -50.7379 0.0270284 -52.3111 -31.1953 -49.3238 -31.8226 -15.0018 TIMING: 3049400 CPU: 9701.93, 0.00311612/step Wall: 9701.93, 0.00311612/step, 1.68842 hours remaining, 232.550781 MB of memory in use. ENERGY: 3049400 4038.4440 20383.9548 14458.9686 236.8468 -202870.7919 2012.1843 0.0000 0.0000 51991.6884 -109748.7050 298.7969 -161740.3934 -109378.2131 299.9023 -96.1366 -57.3110 761641.4541 -11.3800 -11.1908 PRESSURE: 3049600 247.604 -159.886 -303.836 -159.886 81.5274 95.9359 -303.837 95.9361 -194.762 GPRESSURE: 3049600 288.899 0.360224 -273.158 -174.096 216.399 60.2981 -222.02 60.4769 -287.406 PRESSAVG: 3049600 48.7281 -12.954 -49.4951 -12.9539 -5.14129 -36.8703 -49.4952 -36.8703 21.393 GPRESSAVG: 3049600 47.9712 -12.4385 -47.9804 -10.214 -4.86215 -39.1116 -48.6651 -35.1854 22.3462 TIMING: 3049600 CPU: 9702.56, 0.00313579/step Wall: 9702.56, 0.00313579/step, 1.6989 hours remaining, 232.550781 MB of memory in use. ENERGY: 3049600 3940.2921 20580.3574 14476.8717 260.1454 -203488.2799 2537.6945 0.0000 0.0000 52190.1838 -109502.7351 299.9377 -161692.9189 -109139.4626 299.5482 44.7899 72.6306 758797.2383 21.6599 21.8184 PRESSURE: 3049800 -109.758 8.57152 12.1154 8.57134 172.618 128.851 12.1163 128.85 413.128 GPRESSURE: 3049800 -66.4813 116.716 21.7057 6.93513 230.235 163.412 -52.2734 112.426 388.894 PRESSAVG: 3049800 -45.2297 -47.5766 -60.5365 -47.5765 60.0777 30.2148 -60.5365 30.2149 1.05731 GPRESSAVG: 3049800 -45.1953 -47.5257 -61.1626 -46.7404 59.6264 31.4015 -59.9562 29.0882 1.41301 TIMING: 3049800 CPU: 9703.18, 0.0031229/step Wall: 9703.18, 0.0031229/step, 1.69175 hours remaining, 232.550781 MB of memory in use. ENERGY: 3049800 4014.3756 20565.6665 14405.6561 241.9590 -203427.6887 2686.1161 0.0000 0.0000 52023.3108 -109490.6047 298.9787 -161513.9155 -109131.1160 299.9805 158.6627 184.2156 759285.5866 5.3018 5.2814 PRESSURE: 3050000 -455.025 -43.5096 173.548 -43.5098 -207.966 -79.0666 173.548 -79.0667 -37.3103 GPRESSURE: 3050000 -525.538 -80.4905 83.1088 -32.2375 -67.039 -84.696 267.947 -107.853 -37.4507 PRESSAVG: 3050000 -40.2275 35.6159 -22.4519 35.6158 42.3079 -26.0229 -22.4519 -26.023 -9.05089 GPRESSAVG: 3050000 -40.4734 35.3885 -23.366 33.2062 43.7836 -27.2759 -22.594 -23.9705 -10.069 TIMING: 3050000 CPU: 9703.8, 0.00311702/step Wall: 9703.8, 0.00311702/step, 1.68838 hours remaining, 232.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3050000 4000.2871 20654.3551 14474.9353 262.3103 -203225.8774 2230.9567 0.0000 0.0000 51998.3759 -109604.6570 298.8354 -161603.0329 -109237.0303 299.6297 -233.4341 -210.0093 761471.9321 -2.3235 -2.2529 PRESSURE: 3050200 244.343 -120.531 121.221 -120.53 -27.589 128.66 121.221 128.66 347.207 GPRESSURE: 3050200 252.653 -208.803 172.006 -171.516 58.6815 127.938 -13.5197 -6.24116 337.519 PRESSAVG: 3050200 -29.3067 -5.36484 -62.8939 -5.36483 39.1408 -9.50622 -62.894 -9.50619 -5.13539 GPRESSAVG: 3050200 -28.119 -5.9019 -61.987 -6.25571 37.3638 -9.18545 -63.8861 -12.2728 -4.50741 TIMING: 3050200 CPU: 9704.43, 0.00311476/step Wall: 9704.43, 0.00311476/step, 1.68699 hours remaining, 232.550781 MB of memory in use. ENERGY: 3050200 4023.5785 20514.9646 14396.1013 249.3802 -203564.7340 2574.8112 0.0000 0.0000 52207.3961 -109598.5020 300.0366 -161805.8981 -109228.3723 299.3127 187.9871 216.2845 760104.6240 1.5663 1.5791 PRESSURE: 3050400 25.4628 -37.5632 -169.656 -37.5626 141.257 197.363 -169.657 197.362 -7.15184 GPRESSURE: 3050400 -6.74251 -62.3046 -276.036 -97.9612 265.924 217.734 36.8789 204.928 -12.5217 PRESSAVG: 3050400 -0.363278 -19.8578 -58.2498 -19.8578 -29.8417 -47.228 -58.2498 -47.2281 0.494737 GPRESSAVG: 3050400 0.144925 -21.7585 -59.4844 -18.8591 -29.8844 -45.949 -59.1561 -48.6071 0.137463 TIMING: 3050400 CPU: 9705.05, 0.00312047/step Wall: 9705.05, 0.00312047/step, 1.68991 hours remaining, 232.550781 MB of memory in use. ENERGY: 3050400 4048.6490 20704.0165 14485.1818 248.4864 -203950.6022 2770.8968 0.0000 0.0000 52148.7947 -109544.5769 299.6998 -161693.3716 -109190.2739 299.5852 53.1892 82.2200 760029.0696 -9.9034 -9.8673 PRESSURE: 3050600 103.278 -173.335 -3.44863 -173.336 0.242094 66.5006 -3.44839 66.5007 -184.928 GPRESSURE: 3050600 175.695 -175.298 40.2633 -141.218 -33.0747 90.9549 4.64636 36.678 -135.764 PRESSAVG: 3050600 24.5115 -5.02816 16.3174 -5.02811 -63.2705 10.6295 16.3174 10.6295 -15.0852 GPRESSAVG: 3050600 24.074 -3.19539 16.7948 -5.74432 -64.7063 10.5595 17.6057 11.7006 -13.2064 TIMING: 3050600 CPU: 9705.68, 0.0031314/step Wall: 9705.68, 0.0031314/step, 1.69565 hours remaining, 232.550781 MB of memory in use. ENERGY: 3050600 3999.2348 20572.3219 14510.2676 253.0976 -203338.7113 2337.3671 0.0000 0.0000 52181.7372 -109484.6851 299.8892 -161666.4223 -109119.0235 299.5543 -27.1361 2.2852 760310.2435 -17.9481 -17.9462 PRESSURE: 3050800 -308.137 37.8881 84.5883 37.888 -58.3691 -19.4252 84.5889 -19.4267 -342.102 GPRESSURE: 3050800 -242.578 40.1377 26.1904 170.417 -43.1844 52.1014 64.4157 -69.968 -341.383 PRESSAVG: 3050800 52.8721 -26.7974 16.5782 -26.7975 -41.3199 34.7575 16.5782 34.7575 12.7065 GPRESSAVG: 3050800 53.078 -26.9734 16.3068 -26.2665 -40.6037 34.3232 15.1665 36.3137 11.5133 TIMING: 3050800 CPU: 9706.3, 0.00312801/step Wall: 9706.3, 0.00312801/step, 1.69364 hours remaining, 232.550781 MB of memory in use. ENERGY: 3050800 3957.1394 20568.2217 14440.5792 252.6111 -203169.9485 2257.0427 0.0000 0.0000 52037.2199 -109657.1344 299.0586 -161694.3543 -109284.1766 299.9172 -236.2027 -209.0485 761211.5829 8.0862 7.9959 PRESSURE: 3051000 -279.377 -174.195 151.872 -174.195 -159.375 -201.531 151.872 -201.531 448.298 GPRESSURE: 3051000 -206.493 -104.104 200.644 -65.1271 -197.411 -146.867 175.953 -219.599 501.553 PRESSAVG: 3051000 40.9799 -8.56173 -30.7575 -8.56176 -20.0035 -9.94545 -30.7575 -9.94548 2.81328 GPRESSAVG: 3051000 41.0876 -7.10101 -29.2872 -7.01003 -19.77 -8.81877 -32.3201 -12.0716 2.79529 TIMING: 3051000 CPU: 9706.93, 0.00313183/step Wall: 9706.93, 0.00313183/step, 1.69554 hours remaining, 232.550781 MB of memory in use. ENERGY: 3051000 3914.6329 20583.6239 14464.0515 249.2017 -203458.5593 2412.7333 0.0000 0.0000 52128.1026 -109706.2133 299.5809 -161834.3159 -109344.7315 299.1052 3.1819 32.5496 760996.8496 7.9299 8.0376 PRESSURE: 3051200 34.5785 -233.298 -169.428 -233.298 -195.535 267.971 -169.429 267.971 217.44 GPRESSURE: 3051200 59.0629 -301.098 -121.995 -272.256 -149.09 227.205 -167.911 218.538 245.008 PRESSAVG: 3051200 29.4395 -51.34 21.1145 -51.34 1.5243 23.4398 21.1145 23.4397 11.3531 GPRESSAVG: 3051200 28.9967 -51.5363 19.8357 -53.6596 1.79903 21.2102 22.5806 24.9294 11.8351 TIMING: 3051200 CPU: 9707.56, 0.00313134/step Wall: 9707.56, 0.00313134/step, 1.6951 hours remaining, 232.550781 MB of memory in use. ENERGY: 3051200 3978.8272 20426.1355 14491.5601 236.9747 -203309.0403 2325.0496 0.0000 0.0000 52124.0555 -109726.4376 299.5577 -161850.4931 -109375.6210 298.9196 18.8277 51.6602 760092.0696 14.1056 14.2103 PRESSURE: 3051400 -18.6323 75.4594 -224.49 75.4598 409.885 -19.1424 -224.489 -19.1418 179.265 GPRESSURE: 3051400 16.9178 -9.56819 -114.376 171.05 457.185 -43.966 -224.622 54.4467 176.649 PRESSAVG: 3051400 57.9633 -62.8424 13.029 -62.8424 -50.0203 32.4647 13.029 32.4647 -13.4127 GPRESSAVG: 3051400 58.4252 -63.177 13.6443 -62.5555 -50.4457 33.6733 13.2055 31.169 -13.3235 TIMING: 3051400 CPU: 9708.18, 0.00314223/step Wall: 9708.18, 0.00314223/step, 1.70082 hours remaining, 232.550781 MB of memory in use. ENERGY: 3051400 3931.4688 20539.0001 14499.5963 254.8552 -204290.2877 2932.1493 0.0000 0.0000 52076.0378 -110057.1802 299.2817 -162133.2180 -109703.3529 298.7114 190.1727 216.9170 757740.6994 -1.8232 -1.7813 PRESSURE: 3051600 -15.7985 -42.7312 -14.0111 -42.731 -112.904 -243.281 -14.0113 -243.282 -23.7767 GPRESSURE: 3051600 23.897 -33.3551 -69.7354 2.03671 -66.2355 -248.977 -49.7171 -107.823 -50.0736 PRESSAVG: 3051600 34.7539 -7.19805 -34.2777 -7.19804 -1.88841 27.9626 -34.2777 27.9626 -8.74392 GPRESSAVG: 3051600 36.1538 -7.98349 -33.557 -5.64204 -1.90603 27.2495 -34.8152 27.1476 -9.94283 TIMING: 3051600 CPU: 9708.81, 0.00314938/step Wall: 9708.81, 0.00314938/step, 1.70452 hours remaining, 232.550781 MB of memory in use. ENERGY: 3051600 3950.0544 20319.8077 14445.6154 264.4357 -203657.3213 2380.4298 0.0000 0.0000 52137.7463 -110159.2320 299.6363 -162296.9783 -109792.4984 298.0318 -50.8264 -30.8040 758943.3705 8.0405 8.1016 PRESSURE: 3051800 152.088 -134.375 -214.754 -134.374 122.225 -57.2386 -214.755 -57.2391 -38.3274 GPRESSURE: 3051800 146.622 -152.313 -152.657 -124.805 129.332 -15.3799 -297.05 -13.6887 33.9104 PRESSAVG: 3051800 -6.74878 -72.7919 -37.4571 -72.7918 -3.907 -22.6134 -37.4572 -22.6134 -21.0568 GPRESSAVG: 3051800 -7.85985 -70.1243 -37.0867 -72.7622 -4.02173 -21.6095 -37.5932 -20.5022 -20.1349 TIMING: 3051800 CPU: 9709.44, 0.00315541/step Wall: 9709.44, 0.00315541/step, 1.70761 hours remaining, 232.550781 MB of memory in use. ENERGY: 3051800 3980.2092 20501.3773 14547.9693 251.0852 -203220.6521 2537.8782 0.0000 0.0000 51773.5089 -109628.6239 297.5431 -161402.1328 -109269.0491 298.9405 78.6618 103.2882 759896.7542 -10.5709 -10.6721 PRESSURE: 3052000 -26.6994 -79.8932 -27.4344 -79.8925 -35.2766 -17.0825 -27.4341 -17.0816 -1.8281 GPRESSURE: 3052000 111.927 8.45122 33.0152 -70.343 -60.8911 -43.8745 -35.7775 85.2647 -15.4393 PRESSAVG: 3052000 9.57622 -27.8738 -27.6043 -27.8737 33.3378 -18.3494 -27.6042 -18.3495 -6.42487 GPRESSAVG: 3052000 8.08261 -30.0343 -30.2392 -28.5976 33.9728 -19.4087 -25.8351 -19.5785 -5.99797 TIMING: 3052000 CPU: 9710.07, 0.0031293/step Wall: 9710.07, 0.0031293/step, 1.6933 hours remaining, 232.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3052000 3878.2487 20378.5610 14488.9889 259.0707 -203070.7195 2278.1363 0.0000 0.0000 52080.9568 -109706.7571 299.3100 -161787.7139 -109335.5889 298.9933 -21.2680 11.8656 759789.9657 12.1630 12.0191 PRESSURE: 3052200 11.9378 -34.8053 -11.9618 -34.8052 -132.082 -127.467 -11.9624 -127.468 -111.717 GPRESSURE: 3052200 65.752 65.834 30.6985 -100.803 -87.6203 -88.3511 -84.4233 -193.009 -110.801 PRESSAVG: 3052200 3.17706 -26.7418 6.18529 -26.7419 10.4554 -25.2524 6.18526 -25.2524 11.9352 GPRESSAVG: 3052200 5.09959 -24.5116 7.25273 -27.5276 10.9541 -24.1051 4.13076 -26.0392 9.98534 TIMING: 3052200 CPU: 9710.7, 0.00312409/step Wall: 9710.7, 0.00312409/step, 1.69031 hours remaining, 232.550781 MB of memory in use. ENERGY: 3052200 4051.3796 20431.4433 14581.1694 259.1828 -203177.7351 2331.7083 0.0000 0.0000 51914.3751 -109608.4767 298.3526 -161522.8517 -109249.0108 299.2333 -77.2872 -44.2232 758813.1531 8.5225 8.6797 LDB: ============= START OF LOAD BALANCING ============== 9723.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9723.12 LDB: =============== DONE WITH MIGRATION ================ 9723.12 LDB: ============= START OF LOAD BALANCING ============== 9723.43 LDB: Largest compute 7049 load 0.030135 is 15.4% of average load 0.195574 LDB: Average compute 0.004396 is 2.2% of average load 0.195574 LDB: TIME 9723.43 LOAD: AVG 0.195574 MAX 0.216373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 9723.43 LOAD: AVG 0.195574 MAX 0.216373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: TIME 9723.43 LOAD: AVG 0.195574 MAX 0.216373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: ============== END OF LOAD BALANCING =============== 9723.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9723.44 PRESSURE: 3052400 524.078 -93.8951 -302.112 -93.8957 118.191 131.471 -302.112 131.471 -101.179 GPRESSURE: 3052400 478.41 -178.072 -217.518 -132.156 112.017 88.1484 -252.582 49.7681 36.9954 PRESSAVG: 3052400 76.4171 -31.9437 -39.6031 -31.9438 -70.1366 -19.2807 -39.6032 -19.2807 1.00641 GPRESSAVG: 3052400 75.7034 -31.6152 -38.0382 -32.6529 -70.1998 -20.2145 -39.2269 -18.806 2.12446 TIMING: 3052400 CPU: 9711.33, 0.00318768/step Wall: 9711.33, 0.00318768/step, 1.72453 hours remaining, 233.304688 MB of memory in use. ENERGY: 3052400 3995.2657 20617.8323 14452.1936 248.2812 -203952.5236 2962.9417 0.0000 0.0000 52088.6726 -109587.3366 299.3543 -161676.0091 -109233.0261 299.5746 180.3636 209.1410 757820.1011 2.4290 2.5427 PRESSURE: 3052600 -157.667 -89.0258 -44.4806 -89.0253 -169.572 -146.015 -44.4805 -146.016 -183.348 GPRESSURE: 3052600 -101.263 -40.0853 -52.3406 -63.2292 -161.369 -163.351 -48.7317 77.2348 -152.719 PRESSAVG: 3052600 43.2918 -133.695 -8.0798 -133.695 -14.5912 6.24852 -8.07979 6.24846 15.4073 GPRESSAVG: 3052600 43.5974 -134.101 -8.21835 -132.602 -13.7781 7.13805 -5.77735 7.63919 14.8773 TIMING: 3052600 CPU: 9711.96, 0.00313244/step Wall: 9711.96, 0.00313244/step, 1.69448 hours remaining, 233.304688 MB of memory in use. ENERGY: 3052600 4029.9522 20619.7448 14540.4649 263.0803 -203218.2106 2686.2768 0.0000 0.0000 51777.1389 -109301.5526 297.5639 -161078.6915 -108935.1628 299.4908 -170.1958 -138.4502 761088.5969 14.7026 14.8989 PRESSURE: 3052800 234.926 -61.171 160.132 -61.1709 -201.141 8.38407 160.133 8.38427 -37.5206 GPRESSURE: 3052800 267.742 -93.0993 175.818 -102.504 -243.61 133.084 85.5685 38.6275 44.2307 PRESSAVG: 3052800 40.307 -34.0404 -0.375646 -34.0404 -17.8085 3.12189 -0.375717 3.12189 26.6543 GPRESSAVG: 3052800 40.3073 -35.186 -0.100891 -33.229 -18.7136 2.09957 -4.40924 3.39575 27.0939 TIMING: 3052800 CPU: 9712.59, 0.00313868/step Wall: 9712.59, 0.00313868/step, 1.69768 hours remaining, 233.304688 MB of memory in use. ENERGY: 3052800 4063.1364 20525.7697 14544.1013 250.2872 -203069.9040 2286.6515 0.0000 0.0000 52077.5779 -109322.3799 299.2906 -161399.9578 -108963.7562 299.7905 -1.2453 22.7876 760111.0382 16.3842 16.2292 PRESSURE: 3053000 -87.7064 -94.2567 -112.722 -94.2561 81.9802 -127.373 -112.722 -127.373 151.107 GPRESSURE: 3053000 49.2669 -100.239 -201.691 -83.4339 31.398 -97.4458 -76.3636 -421.793 158.11 PRESSAVG: 3053000 67.9394 -2.21443 12.8349 -2.21444 -26.2826 -23.5447 12.835 -23.5448 0.980945 GPRESSAVG: 3053000 68.4422 -0.411398 10.2946 -1.11263 -26.9394 -23.0474 16.7107 -25.6689 1.19824 TIMING: 3053000 CPU: 9713.21, 0.0031352/step Wall: 9713.21, 0.0031352/step, 1.69562 hours remaining, 233.304688 MB of memory in use. ENERGY: 3053000 4039.7559 20517.4690 14428.7403 247.4289 -203237.2023 2633.3012 0.0000 0.0000 52264.4124 -109106.0947 300.3643 -161370.5071 -108750.1703 300.1654 48.4601 79.5916 758758.8510 14.2126 14.2337 PRESSURE: 3053200 122.479 267.313 -21.4074 267.313 17.8062 -65.5998 -21.4071 -65.5988 187.728 GPRESSURE: 3053200 157.748 255.623 -86.211 277.296 73.8025 26.8879 -125.057 -9.0449 168.816 PRESSAVG: 3053200 39.2127 -1.37344 -37.6017 -1.37341 22.7416 -28.4515 -37.6016 -28.4514 -8.08762 GPRESSAVG: 3053200 40.2439 -0.487557 -37.0744 -4.46929 22.681 -27.0184 -38.7472 -27.8464 -9.18734 TIMING: 3053200 CPU: 9713.84, 0.00312948/step Wall: 9713.84, 0.00312948/step, 1.69235 hours remaining, 233.304688 MB of memory in use. ENERGY: 3053200 3898.2888 20565.2943 14532.4442 231.4016 -203233.4601 2684.3342 0.0000 0.0000 51978.2878 -109343.4091 298.7199 -161321.6970 -108978.0209 299.5104 109.3379 133.4554 758600.3581 17.9556 17.9125 PRESSURE: 3053400 4.01536 -55.6167 -45.6059 -55.6162 -393.219 -187.491 -45.6061 -187.491 -172.638 GPRESSURE: 3053400 9.24431 -66.256 -5.36505 -97.3157 -316.835 -152.956 34.227 -162.382 -164.036 PRESSAVG: 3053400 29.9053 -5.9559 22.8806 -5.9559 -21.5281 34.6018 22.8806 34.6017 14.0242 GPRESSAVG: 3053400 28.2759 -7.40845 22.4813 -4.08006 -21.3043 33.5091 22.2117 33.0661 15.5115 TIMING: 3053400 CPU: 9714.46, 0.00311765/step Wall: 9714.46, 0.00311765/step, 1.68578 hours remaining, 233.304688 MB of memory in use. ENERGY: 3053400 3978.6109 20687.1831 14547.4136 241.7096 -202973.1774 2331.1822 0.0000 0.0000 51750.9228 -109436.1552 297.4133 -161187.0780 -109077.8330 298.7019 -187.2805 -157.2088 760729.5778 7.4671 7.4944 PRESSURE: 3053600 -33.9279 -16.5839 -0.418002 -16.5842 0.119663 -5.09591 -0.416264 -5.09479 252.493 GPRESSURE: 3053600 98.538 154.224 51.7649 42.2768 -51.9989 3.69819 28.7614 -30.7634 267.215 PRESSAVG: 3053600 73.0473 -4.44065 6.24773 -4.44073 -31.2707 -36.5287 6.24767 -36.5287 -9.18137 GPRESSAVG: 3053600 73.9161 -4.92127 6.8055 -4.58216 -32.0149 -37.741 6.08663 -35.024 -9.46162 TIMING: 3053600 CPU: 9715.09, 0.00313437/step Wall: 9715.09, 0.00313437/step, 1.69465 hours remaining, 233.304688 MB of memory in use. ENERGY: 3053600 4052.0557 20374.6033 14579.3727 267.7627 -203233.2059 2498.3871 0.0000 0.0000 52265.5048 -109195.5194 300.3706 -161461.0242 -108834.1581 299.5715 72.8948 104.5847 760945.8879 10.8651 10.8132 PRESSURE: 3053800 -27.5083 130.154 250.036 130.155 -700.024 254.722 250.036 254.722 66.9659 GPRESSURE: 3053800 -43.5305 198.075 136.722 191.481 -600.912 125.287 251.562 241.849 64.6563 PRESSAVG: 3053800 89.1281 43.9486 13.2859 43.9486 -47.0962 -22.6085 13.2858 -22.6086 8.63019 GPRESSAVG: 3053800 90.796 45.6955 12.7638 43.6377 -46.8325 -23.3194 15.8846 -23.1526 6.74583 TIMING: 3053800 CPU: 9715.72, 0.00312493/step Wall: 9715.72, 0.00312492/step, 1.68937 hours remaining, 233.304688 MB of memory in use. ENERGY: 3053800 4001.8803 20487.0173 14517.0991 222.1763 -202652.4269 2125.8457 0.0000 0.0000 52054.2382 -109244.1700 299.1564 -161298.4082 -108876.7797 299.8103 -220.1888 -193.2622 761071.7057 16.8874 16.9031 PRESSURE: 3054000 -79.2465 -169.148 141.833 -169.148 -353.088 121.129 141.833 121.127 -274.248 GPRESSURE: 3054000 -111.037 -177.067 101.555 -182.852 -240.236 25.4033 133.178 190.093 -284.406 PRESSAVG: 3054000 31.8348 37.0946 -5.24403 37.0946 -21.9907 -64.2548 -5.24417 -64.2548 -13.1258 GPRESSAVG: 3054000 29.1973 35.2228 -4.87695 36.608 -20.9984 -65.2867 -7.5451 -63.384 -11.5147 TIMING: 3054000 CPU: 9716.34, 0.0031285/step Wall: 9716.34, 0.0031285/step, 1.69113 hours remaining, 233.304688 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: 3054000 4070.7633 20477.6265 14512.4227 254.7023 -202660.7020 2135.7132 0.0000 0.0000 52091.2901 -109118.1839 299.3694 -161209.4740 -108753.0160 299.9972 -235.5275 -211.8932 761128.5851 -1.0939 -1.1053 PRESSURE: 3054200 -307.442 -92.4653 -142.4 -92.4651 -70.8217 -64.5624 -142.399 -64.5625 81.928 GPRESSURE: 3054200 -163.262 -172.995 -171.577 -68.8916 -109.046 -33.7269 109.229 -85.9306 79.807 PRESSAVG: 3054200 51.5031 -21.1147 44.0881 -21.1146 -11.6663 -37.4488 44.088 -37.4488 -6.00391 GPRESSAVG: 3054200 52.1288 -21.2438 44.9513 -18.7954 -11.9116 -35.8896 43.1754 -39.592 -5.91657 TIMING: 3054200 CPU: 9716.97, 0.00314082/step Wall: 9716.97, 0.00314082/step, 1.69761 hours remaining, 233.304688 MB of memory in use. ENERGY: 3054200 3984.5022 20446.2303 14503.9357 244.8676 -203033.7500 2552.8619 0.0000 0.0000 52249.7431 -109051.6092 300.2800 -161301.3524 -108683.0904 300.3177 -98.7787 -64.1671 761655.2459 11.2776 11.4335 PRESSURE: 3054400 -43.9847 212.801 -118.709 212.803 -156.019 -181.751 -118.709 -181.75 -505.251 GPRESSURE: 3054400 -59.7335 78.2791 -95.2889 249.179 -74.2621 -225.517 -166.192 -113.802 -485.965 PRESSAVG: 3054400 12.4983 26.8328 -25.027 26.8329 -6.89606 -26.2672 -25.027 -26.2672 -6.51253 GPRESSAVG: 3054400 14.0477 27.7046 -24.1685 25.7852 -7.75658 -25.8108 -27.2297 -24.7784 -7.69179 TIMING: 3054400 CPU: 9717.6, 0.00314893/step Wall: 9717.6, 0.00314893/step, 1.70182 hours remaining, 233.304688 MB of memory in use. ENERGY: 3054400 3965.9744 20481.5073 14592.8733 248.8008 -202731.3252 2252.2178 0.0000 0.0000 52132.1480 -109057.8035 299.6042 -161189.9516 -108695.6679 300.4346 -235.0849 -206.6537 762055.2418 -0.3034 -0.4669 PRESSURE: 3054600 64.686 -68.6599 -5.42032 -68.6599 131.374 86.2111 -5.41939 86.2115 295.748 GPRESSURE: 3054600 82.2324 -75.539 -39.4371 -51.9001 180.913 107.582 21.8536 185.996 315.637 PRESSAVG: 3054600 -6.66071 35.1622 9.13655 35.1621 -14.4875 28.0134 9.1366 28.0134 -6.16546 GPRESSAVG: 3054600 -7.34318 33.4238 8.3817 36.0056 -14.8623 27.2728 10.2482 31.4121 -5.24639 TIMING: 3054600 CPU: 9718.23, 0.00314988/step Wall: 9718.23, 0.00314988/step, 1.70216 hours remaining, 233.304688 MB of memory in use. ENERGY: 3054600 3984.5132 20368.4079 14559.3545 253.7760 -202682.1547 2148.4990 0.0000 0.0000 52103.6331 -109263.9709 299.4403 -161367.6041 -108898.9863 299.7589 163.9359 192.9275 761703.2870 -9.1046 -9.1506 PRESSURE: 3054800 -16.4453 71.2752 -416.755 71.2748 -485.869 26.3057 -416.755 26.3052 121.933 GPRESSURE: 3054800 -66.9428 32.3767 -407.14 51.0812 -366.062 81.1784 -352.713 -21.7965 136.995 PRESSAVG: 3054800 55.1372 -14.8486 -21.6542 -14.8486 -0.67655 12.3114 -21.6543 12.3114 -12.1599 GPRESSAVG: 3054800 54.9645 -14.0544 -22.6049 -15.7913 0.440957 13.6676 -21.0977 8.49568 -12.8424 TIMING: 3054800 CPU: 9718.86, 0.0031429/step Wall: 9718.86, 0.0031429/step, 1.69821 hours remaining, 233.304688 MB of memory in use. ENERGY: 3054800 4003.4887 20616.4519 14494.6527 244.9915 -203291.7662 2368.8094 0.0000 0.0000 51988.3977 -109574.9744 298.7780 -161563.3721 -109208.4895 299.1844 -126.7937 -98.6701 760985.6950 14.1002 14.1877 PRESSURE: 3055000 -204.379 -183.439 -84.1986 -183.438 -165.25 109.877 -84.1996 109.876 258.648 GPRESSURE: 3055000 -103.286 -62.4703 -38.0944 -98.694 -148.881 97.7842 -14.5236 44.5818 234.432 PRESSAVG: 3055000 45.5071 10.5206 -8.08734 10.5206 -23.9156 46.5031 -8.08734 46.5031 4.65043 GPRESSAVG: 3055000 43.8824 10.5708 -7.03676 9.99878 -23.3299 44.9299 -9.70616 48.1531 5.51766 TIMING: 3055000 CPU: 9719.49, 0.00314551/step Wall: 9719.49, 0.00314551/step, 1.69945 hours remaining, 233.304688 MB of memory in use. ENERGY: 3055000 4006.7163 20468.4214 14460.5356 250.9938 -203086.5438 2291.4000 0.0000 0.0000 52147.6658 -109460.8109 299.6934 -161608.4767 -109101.6233 299.3076 -36.9938 -5.9116 760635.4409 8.7473 8.6901 PRESSURE: 3055200 -122.092 -167.329 -56.5288 -167.329 -56.9434 65.7901 -56.5289 65.7894 -171.538 GPRESSURE: 3055200 40.3583 -93.0957 4.83775 -58.3842 -117.495 82.7796 -47.8353 60.0977 -178.986 PRESSAVG: 3055200 29.4569 52.4349 0.764126 52.4349 -8.00463 21.4942 0.764132 21.4941 -4.05297 GPRESSAVG: 3055200 30.9263 53.9106 0.0473724 52.6701 -9.20847 22.4323 2.83901 22.2199 -4.88468 TIMING: 3055200 CPU: 9720.12, 0.00314821/step Wall: 9720.12, 0.00314821/step, 1.70073 hours remaining, 233.304688 MB of memory in use. ENERGY: 3055200 4000.3543 20511.4395 14432.1668 242.9056 -203169.1881 2254.1820 0.0000 0.0000 52213.2117 -109514.9283 300.0700 -161728.1400 -109149.9310 299.1061 -116.8580 -85.3740 760847.5320 5.7998 5.6110 PRESSURE: 3055400 -111.272 105.541 27.7372 105.541 -297.002 -131.574 27.7373 -131.573 112.985 GPRESSURE: 3055400 -114.344 266.57 42.4363 149.316 -315.276 -105.709 -51.07 -140.061 210.128 PRESSAVG: 3055400 62.5986 34.6083 32.2266 34.6083 -83.6933 -4.91399 32.2266 -4.91403 1.06323 GPRESSAVG: 3055400 61.498 35.1749 33.5205 32.8955 -84.2214 -4.44644 29.9325 -6.07512 1.84325 TIMING: 3055400 CPU: 9720.75, 0.00315264/step Wall: 9720.75, 0.00315264/step, 1.70295 hours remaining, 233.304688 MB of memory in use. ENERGY: 3055400 3999.9833 20498.1864 14469.3905 235.8825 -203086.5238 2151.2234 0.0000 0.0000 52179.6011 -109552.2566 299.8769 -161731.8577 -109176.5605 299.4401 -98.4298 -73.1640 758990.5430 -6.6772 -6.9600 PRESSURE: 3055600 30.2287 -86.4745 102.867 -86.475 138.288 -281.257 102.867 -281.258 340.16 GPRESSURE: 3055600 115.682 -143.806 69.1673 -91.376 179.577 -310.752 284.94 -277.901 317.026 PRESSAVG: 3055600 65.889 4.21302 1.24036 4.21306 -34.7878 -49.3422 1.24032 -49.3422 -18.2614 GPRESSAVG: 3055600 65.3759 2.73498 -0.797857 7.08824 -34.1419 -49.4334 4.64683 -49.9237 -18.2243 TIMING: 3055600 CPU: 9721.37, 0.00312319/step Wall: 9721.37, 0.00312319/step, 1.68687 hours remaining, 233.304688 MB of memory in use. ENERGY: 3055600 3966.4628 20356.8460 14493.6281 227.0860 -203399.7962 2649.7063 0.0000 0.0000 52274.0084 -109432.0586 300.4194 -161706.0670 -109064.6734 298.9162 169.5589 204.0950 759638.5737 4.2800 4.3366 PRESSURE: 3055800 -30.9846 -111.945 -103.379 -111.944 -270.451 -127.016 -103.379 -127.015 -320.421 GPRESSURE: 3055800 7.47765 -124.376 -223.761 -32.7758 -158.654 -172.888 -18.5746 -17.4292 -367.243 PRESSAVG: 3055800 43.9936 -15.9445 -17.8233 -15.9445 -35.2371 -20.7069 -17.8233 -20.7069 8.63271 GPRESSAVG: 3055800 45.0735 -15.4199 -17.6391 -18.5491 -36.3536 -21.1937 -17.2094 -19.1335 8.35383 TIMING: 3055800 CPU: 9721.99, 0.0031169/step Wall: 9721.99, 0.0031169/step, 1.6833 hours remaining, 233.304688 MB of memory in use. ENERGY: 3055800 3990.3093 20453.1937 14441.2447 247.1301 -203083.1531 2370.1484 0.0000 0.0000 52034.0155 -109547.1114 299.0402 -161581.1269 -109180.3738 299.2309 -207.2855 -172.8065 759175.6110 5.7964 5.6912 PRESSURE: 3056000 131.95 -57.4414 -41.0228 -57.4414 -279.839 -13.974 -41.0233 -13.9739 101.438 GPRESSURE: 3056000 108.891 -146.954 -75.0526 -89.1805 -264.048 18.3424 -124.319 66.5903 200.62 PRESSAVG: 3056000 14.3661 5.69482 -2.5535 5.69486 -4.7094 1.49095 -2.55351 1.49077 -17.6097 GPRESSAVG: 3056000 14.606 4.21875 -1.35461 7.93487 -4.42716 3.00945 -5.52326 -1.08367 -18.1007 TIMING: 3056000 CPU: 9722.62, 0.00311762/step Wall: 9722.62, 0.00311762/step, 1.68352 hours remaining, 233.304688 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: 3056000 4018.2970 20493.0316 14495.7716 262.0006 -203026.7532 2261.1412 0.0000 0.0000 51983.3755 -109513.1358 298.7492 -161496.5113 -109153.9238 299.1299 -15.4838 15.1542 757992.4673 -2.6510 -2.6406 PRESSURE: 3056200 42.2875 52.3827 204.813 52.382 -85.1221 29.4205 204.814 29.4201 202.35 GPRESSURE: 3056200 49.6715 116.603 218.507 -3.25839 4.73504 -63.2615 97.0632 5.6085 193.415 PRESSAVG: 3056200 10.0085 -33.1511 -36.6767 -33.1511 26 0.998861 -36.6768 0.998873 18.346 GPRESSAVG: 3056200 9.27833 -32.4323 -37.1406 -34.7888 25.8982 1.62445 -37.4168 0.573295 19.3341 TIMING: 3056200 CPU: 9723.24, 0.00311911/step Wall: 9723.24, 0.00311911/step, 1.68415 hours remaining, 233.304688 MB of memory in use. ENERGY: 3056200 4024.3477 20379.2524 14555.4850 256.7021 -203393.2959 2389.8390 0.0000 0.0000 52171.0566 -109616.6132 299.8278 -161787.6697 -109240.0372 298.8662 53.1718 82.6073 759397.0133 18.1181 18.1702 LDB: ============= START OF LOAD BALANCING ============== 9735.66 LDB: ============== END OF LOAD BALANCING =============== 9735.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9735.66 LDB: ============= START OF LOAD BALANCING ============== 9735.98 LDB: Largest compute 7026 load 0.029051 is 14.9% of average load 0.195558 LDB: Average compute 0.004384 is 2.2% of average load 0.195558 LDB: TIME 9735.98 LOAD: AVG 0.195558 MAX 0.221885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 9735.98 LOAD: AVG 0.195558 MAX 0.221885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.184 MB LDB: TIME 9735.98 LOAD: AVG 0.195558 MAX 0.215162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.184 MB LDB: ============== END OF LOAD BALANCING =============== 9735.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9735.99 PRESSURE: 3056400 9.47642 263.723 76.4746 263.721 -156.341 -47.7341 76.4747 -47.7335 -17.2065 GPRESSURE: 3056400 147.387 253.914 55.4294 160.381 -168.285 -128.27 59.9167 24.3371 -44.8582 PRESSAVG: 3056400 45.5815 -28.3988 -21.1397 -28.3988 -5.9742 -13.7493 -21.1397 -13.7492 22.8989 GPRESSAVG: 3056400 45.9967 -27.3595 -22.0568 -27.6617 -4.96146 -14.5447 -19.8655 -12.3249 21.8831 TIMING: 3056400 CPU: 9723.88, 0.00319977/step Wall: 9723.88, 0.00319977/step, 1.72752 hours remaining, 233.562500 MB of memory in use. ENERGY: 3056400 4024.5068 20556.5964 14520.1194 246.4920 -203259.5251 2385.2126 0.0000 0.0000 52048.1119 -109478.4861 299.1212 -161526.5979 -109114.2181 299.2227 -54.6903 -21.9185 761118.7391 20.8354 20.9728 PRESSURE: 3056600 -280.467 -50.865 90.7911 -50.8648 -359.76 -116.404 90.7915 -116.404 -212.019 GPRESSURE: 3056600 -244.012 -83.2513 116.341 64.6975 -337.644 -81.0162 1.51928 -195.536 -192.075 PRESSAVG: 3056600 -13.1205 59.5542 20.853 59.5542 -3.80213 39.4419 20.8531 39.4418 -8.11628 GPRESSAVG: 3056600 -12.6342 56.28 20.8085 60.1661 -4.36185 39.1168 21.4967 37.7107 -8.11298 TIMING: 3056600 CPU: 9724.51, 0.00312012/step Wall: 9724.51, 0.00312013/step, 1.68435 hours remaining, 233.562500 MB of memory in use. ENERGY: 3056600 3901.7014 20297.6135 14465.1133 227.9785 -203197.4040 2284.5392 0.0000 0.0000 52327.0232 -109693.4349 300.7241 -162020.4581 -109324.1806 299.1414 -284.0818 -257.9104 762585.3798 -8.3463 -8.3697 PRESSURE: 3056800 -34.7523 54.4237 -192.14 54.4235 45.1209 -2.2516 -192.14 -2.25282 -398.86 GPRESSURE: 3056800 -79.8471 59.1994 -196.394 72.6775 47.572 -7.54845 -211.027 87.5295 -287.322 PRESSAVG: 3056800 33.0972 46.2839 -16.3643 46.2839 -32.7496 17.0265 -16.3643 17.0265 -8.952 GPRESSAVG: 3056800 31.9106 46.294 -16.9071 46.8792 -33.0954 16.5758 -16.634 16.9547 -8.42189 TIMING: 3056800 CPU: 9725.13, 0.00312098/step Wall: 9725.13, 0.00312098/step, 1.68463 hours remaining, 233.562500 MB of memory in use. ENERGY: 3056800 3925.6093 20596.6596 14544.7062 231.3412 -202929.0692 2170.1823 0.0000 0.0000 51967.8936 -109492.6770 298.6602 -161460.5706 -109136.6251 299.0752 -129.4970 -106.5322 762168.5269 -2.8681 -3.2022 PRESSURE: 3057000 286.79 65.0104 73.6518 65.011 -158.954 -210.04 73.6505 -210.039 15.389 GPRESSURE: 3057000 328.904 -46.3548 36.0976 134.541 -170.954 -245.788 110.466 -206.444 62.2735 PRESSAVG: 3057000 47.2178 41.1653 -27.1857 41.1653 -39.9162 45.0883 -27.1858 45.0883 -4.98428 GPRESSAVG: 3057000 47.0624 41.7871 -25.7389 41.2446 -39.2858 45.1436 -27.0043 45.9465 -5.7466 TIMING: 3057000 CPU: 9725.75, 0.00310782/step Wall: 9725.75, 0.00310782/step, 1.67736 hours remaining, 233.562500 MB of memory in use. ENERGY: 3057000 3923.5261 20722.4304 14497.5767 246.8788 -203643.9889 2589.2340 0.0000 0.0000 52066.0395 -109598.3035 299.2242 -161664.3430 -109241.4551 299.4525 47.7419 73.4076 761700.9381 0.7724 0.6767 PRESSURE: 3057200 5.92299 35.4647 37.1305 35.4654 -63.5914 205.615 37.1306 205.615 -206.467 GPRESSURE: 3057200 132.517 41.9616 -73.0469 -84.0598 -47.0102 94.8695 43.0939 205.613 -271.143 PRESSAVG: 3057200 46.8804 -9.03239 4.71301 -9.03237 -42.5021 7.87604 4.71301 7.87609 12.4154 GPRESSAVG: 3057200 49.2294 -9.51751 4.7674 -10.0503 -43.17 8.10596 5.06313 9.72115 10.7822 TIMING: 3057200 CPU: 9726.37, 0.00310476/step Wall: 9726.37, 0.00310476/step, 1.67554 hours remaining, 233.562500 MB of memory in use. ENERGY: 3057200 3998.7753 20507.8671 14484.8287 247.3638 -203082.5104 2181.4378 0.0000 0.0000 52249.1139 -109413.1237 300.2764 -161662.2376 -109052.3981 299.3314 -88.0452 -61.8786 760044.1459 5.5979 5.6139 PRESSURE: 3057400 245.286 -51.0421 -188.249 -51.0427 84.0026 -41.2914 -188.249 -41.2918 312.321 GPRESSURE: 3057400 341.267 -35.5026 -108.015 59.2132 55.0783 71.2295 -159.37 -15.1285 365.292 PRESSAVG: 3057400 45.9624 26.518 -17.8517 26.5181 -42.9485 15.7752 -17.8518 15.7752 7.4633 GPRESSAVG: 3057400 43.8555 27.7401 -18.8416 25.8489 -43.4547 16.0103 -17.2487 15.1562 9.65572 TIMING: 3057400 CPU: 9727, 0.00311956/step Wall: 9727, 0.00311956/step, 1.68335 hours remaining, 233.562500 MB of memory in use. ENERGY: 3057400 4009.9281 20523.7453 14474.5226 230.3791 -203657.0514 2707.6725 0.0000 0.0000 52127.7799 -109583.0239 299.5791 -161710.8038 -109226.9917 299.2890 213.8699 253.8789 760307.2394 3.4924 3.3522 PRESSURE: 3057600 305.147 -18.866 276.939 -18.8662 -158.07 158.233 276.939 158.232 209.01 GPRESSURE: 3057600 277.626 -11.7942 282.449 23.0656 -93.2 74.027 221.527 185.828 268.033 PRESSAVG: 3057600 20.3925 28.4727 -23.506 28.4728 10.3209 20.2395 -23.506 20.2396 -3.93924 GPRESSAVG: 3057600 20.2557 29.0963 -22.4553 31.5788 10.7277 20.8054 -25.578 17.3023 -4.12582 TIMING: 3057600 CPU: 9727.62, 0.00312581/step Wall: 9727.62, 0.00312581/step, 1.68655 hours remaining, 233.562500 MB of memory in use. ENERGY: 3057600 3990.5370 20548.2344 14465.8635 245.7058 -203898.5679 2903.3215 0.0000 0.0000 52085.8311 -109659.0745 299.3380 -161744.9055 -109300.8942 298.9484 118.6955 150.8196 760432.3473 8.9247 8.9525 PRESSURE: 3057800 -21.6727 -142.789 -50.3238 -142.789 154.707 30.9318 -50.3237 30.9309 171.621 GPRESSURE: 3057800 11.1154 -101.686 -39.9939 -17.92 214.508 88.0507 -11.8045 77.2503 163.427 PRESSAVG: 3057800 5.88676 46.6086 -53.4662 46.6086 1.90974 -4.84272 -53.4662 -4.8427 -7.45975 GPRESSAVG: 3057800 6.78928 47.406 -53.6155 45.5535 2.83713 -3.5864 -53.7977 -3.98878 -9.72276 TIMING: 3057800 CPU: 9728.25, 0.00311803/step Wall: 9728.25, 0.00311803/step, 1.68218 hours remaining, 233.562500 MB of memory in use. ENERGY: 3057800 3930.1338 20387.9990 14596.8611 247.2731 -203336.0596 2370.1044 0.0000 0.0000 52073.6266 -109730.0617 299.2678 -161803.6883 -109367.4177 299.1812 101.5517 129.6832 759826.1324 0.1123 -0.0321 PRESSURE: 3058000 269.865 -92.8758 112.062 -92.8759 -8.96359 -90.2334 112.061 -90.2323 305.428 GPRESSURE: 3058000 232.36 -48.5723 17.0231 -27.8428 90.9884 -106.242 108.811 -195.952 311.424 PRESSAVG: 3058000 41.1671 21.1434 13.6386 21.1434 11.2566 -19.9909 13.6386 -19.9909 16.4946 GPRESSAVG: 3058000 38.9334 18.3157 12.8185 19.1245 11.5319 -21.6649 14.5756 -19.5632 18.5959 TIMING: 3058000 CPU: 9728.87, 0.0031207/step Wall: 9728.87, 0.0031207/step, 1.68344 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3058000 4003.1497 20341.4990 14579.1517 244.5069 -203423.4477 2645.8111 0.0000 0.0000 51910.5113 -109698.8180 298.3304 -161609.3293 -109333.7722 298.8889 188.7765 211.5907 760645.2427 22.9728 23.0204 PRESSURE: 3058200 -512.415 -25.3222 32.2839 -25.3223 2.67544 49.4876 32.2828 49.4869 -268.959 GPRESSURE: 3058200 -372.119 40.8217 22.6951 -29.2295 -84.83 -69.4646 45.8638 165.411 -238.891 PRESSAVG: 3058200 105.224 -23.5048 50.9598 -23.5048 -24.6162 1.83098 50.9598 1.83104 -3.97341 GPRESSAVG: 3058200 107.772 -18.6463 52.2014 -24.7217 -26.1379 0.562965 52.7914 1.05825 -5.65749 TIMING: 3058200 CPU: 9729.49, 0.00312384/step Wall: 9729.49, 0.00312384/step, 1.68496 hours remaining, 233.562500 MB of memory in use. ENERGY: 3058200 3996.9134 20538.6666 14515.2625 220.3685 -203513.2214 2327.1348 0.0000 0.0000 52078.5644 -109836.3113 299.2962 -161914.8756 -109457.4013 298.8977 -259.5660 -231.9464 760014.7955 25.5448 25.3255 PRESSURE: 3058400 255.362 -118.392 -133.533 -118.393 64.4352 -8.55546 -133.532 -8.55517 -94.1107 GPRESSURE: 3058400 273.188 -124.709 -117.243 -60.4925 110.251 74.7227 -187.931 4.7989 -67.8598 PRESSAVG: 3058400 6.35609 -43.2627 32.805 -43.2627 -23.2405 -42.0857 32.8049 -42.0858 -19.0704 GPRESSAVG: 3058400 6.41549 -47.7606 32.2777 -42.4311 -23.1307 -43.2094 30.9632 -39.9285 -19.3587 TIMING: 3058400 CPU: 9730.12, 0.00311974/step Wall: 9730.12, 0.00311974/step, 1.68258 hours remaining, 233.562500 MB of memory in use. ENERGY: 3058400 3902.1367 20509.1051 14510.9077 232.0220 -203537.7649 2499.2001 0.0000 0.0000 52286.0641 -109598.3293 300.4887 -161884.3934 -109231.7414 299.2288 75.2288 105.1931 759124.8863 -11.9849 -12.0246 PRESSURE: 3058600 -18.6403 17.3866 -295.073 17.3873 338.419 -20.8426 -295.073 -20.8423 147.91 GPRESSURE: 3058600 59.6922 191.539 -309.975 20.4045 386.697 33.9038 -114.398 -5.20838 108.073 PRESSAVG: 3058600 49.1183 27.7551 22.6966 27.7552 -37.059 7.38098 22.6966 7.38106 17.7458 GPRESSAVG: 3058600 48.5148 29.5565 21.961 29.8748 -36.7475 8.59051 22.7941 5.03446 18.1745 TIMING: 3058600 CPU: 9730.74, 0.00311249/step Wall: 9730.74, 0.00311249/step, 1.6785 hours remaining, 233.562500 MB of memory in use. ENERGY: 3058600 4037.5756 20618.6576 14484.1731 249.1331 -203535.3653 2535.8031 0.0000 0.0000 52035.4722 -109574.5505 299.0486 -161610.0227 -109209.3140 299.2943 155.8965 184.8206 758448.9800 9.9350 9.9806 PRESSURE: 3058800 -96.976 -165.212 -32.5071 -165.212 -73.2198 -4.19071 -32.5066 -4.18975 -15.6515 GPRESSURE: 3058800 -137.441 -152.413 -43.8254 -233.945 -3.04151 -10.255 -53.3875 55.157 37.0282 PRESSAVG: 3058800 10.5427 4.84167 -3.96081 4.84167 -22.2198 -26.0912 -3.96081 -26.0913 13.6053 GPRESSAVG: 3058800 9.58828 2.90235 -3.53794 3.88692 -22.3247 -25.9125 -2.28247 -24.0479 14.3461 TIMING: 3058800 CPU: 9731.36, 0.0031148/step Wall: 9731.36, 0.0031148/step, 1.67957 hours remaining, 233.562500 MB of memory in use. ENERGY: 3058800 3960.4400 20627.2710 14481.2369 243.7354 -203390.2720 2455.8284 0.0000 0.0000 51975.6549 -109646.1054 298.7048 -161621.7603 -109279.4248 299.4536 -61.9491 -34.4846 761088.5889 0.6427 0.5366 PRESSURE: 3059000 -253.405 57.1233 -39.9866 57.1226 -3.70186 14.0479 -39.9875 14.048 176.175 GPRESSURE: 3059000 -139.363 137.164 -45.4781 124.48 33.9052 29.6372 8.55851 -115.442 115.365 PRESSAVG: 3059000 -13.1954 -14.8123 44.3245 -14.8122 -37.137 2.1686 44.3245 2.16869 12.6997 GPRESSAVG: 3059000 -12.9428 -13.3961 45.4742 -15.9725 -37.7096 1.42971 42.4907 1.38311 13.0489 TIMING: 3059000 CPU: 9731.99, 0.00312744/step Wall: 9731.99, 0.00312744/step, 1.68621 hours remaining, 233.562500 MB of memory in use. ENERGY: 3059000 3939.1856 20553.6739 14478.6025 264.2464 -203477.7223 2428.2374 0.0000 0.0000 52124.3330 -109689.4435 299.5593 -161813.7765 -109325.9906 299.2694 -26.9773 3.3022 760805.8017 -12.5442 -12.5345 PRESSURE: 3059200 214.932 33.6059 -201.928 33.6067 352.216 -143.233 -201.927 -143.233 4.73022 GPRESSURE: 3059200 275.564 24.1585 -265.685 -22.023 339.431 -137.038 -145.314 -97.0525 47.1107 PRESSAVG: 3059200 14.7107 -21.3559 24.6336 -21.3559 -15.3381 -71.4445 24.6336 -71.4444 -18.4042 GPRESSAVG: 3059200 14.7545 -22.1034 23.6233 -19.3001 -14.834 -70.2161 24.7878 -71.7368 -18.7914 TIMING: 3059200 CPU: 9732.62, 0.00313185/step Wall: 9732.62, 0.00313185/step, 1.68842 hours remaining, 233.562500 MB of memory in use. ENERGY: 3059200 3958.6872 20414.7863 14512.0524 248.6083 -203311.7424 2562.7435 0.0000 0.0000 51884.0954 -109730.7693 298.1786 -161614.8647 -109362.0477 298.5837 190.6259 220.7018 759304.6753 -6.3439 -6.2903 PRESSURE: 3059400 111.117 32.8351 67.7067 32.835 329.046 71.3552 67.7068 71.3556 -59.5998 GPRESSURE: 3059400 139.066 -17.9464 58.0771 13.9991 372.661 201.486 -10.4743 -66.5607 -60.1587 PRESSAVG: 3059400 -26.3035 -39.814 9.60282 -39.814 57.2392 -7.0557 9.60288 -7.05575 5.26915 GPRESSAVG: 3059400 -26.1826 -38.8251 10.4201 -42.6481 57.8537 -6.33303 10.2576 -6.34499 4.50705 TIMING: 3059400 CPU: 9733.24, 0.00311283/step Wall: 9733.24, 0.00311283/step, 1.67799 hours remaining, 233.562500 MB of memory in use. ENERGY: 3059400 3978.4069 20487.6903 14426.1469 245.9042 -203823.9415 2676.7866 0.0000 0.0000 52252.6235 -109756.3830 300.2965 -162009.0065 -109390.2354 299.2715 126.8543 150.5229 758487.1515 12.0683 12.0594 PRESSURE: 3059600 -61.8745 111.823 -141.469 111.823 -503.624 105.75 -141.469 105.751 -368.494 GPRESSURE: 3059600 13.306 170.989 -40.8304 0.722277 -521.934 55.6494 -230.672 82.5715 -324.848 PRESSAVG: 3059600 12.7393 -27.2773 -2.34232 -27.2773 -17.6098 -22.1836 -2.34226 -22.1835 -6.1002 GPRESSAVG: 3059600 12.5331 -26.5113 -2.45421 -28.2424 -19.4746 -22.7292 -2.7686 -22.7812 -4.67145 TIMING: 3059600 CPU: 9733.86, 0.00311745/step Wall: 9733.86, 0.00311745/step, 1.6803 hours remaining, 233.562500 MB of memory in use. ENERGY: 3059600 3952.1831 20411.9943 14554.3148 239.3900 -203665.7196 2554.8396 0.0000 0.0000 52076.6458 -109876.3520 299.2852 -161952.9978 -109513.2534 298.9783 -311.3308 -277.8253 758916.0387 -3.6569 -3.8710 PRESSURE: 3059800 -29.8711 -148.922 292.585 -148.923 101.41 -66.9649 292.586 -66.9662 -63.7424 GPRESSURE: 3059800 18.2638 -104.333 214.905 -104.953 173.025 -79.8314 161.225 -139.733 -75.2557 PRESSAVG: 3059800 30.5082 -10.7868 10.2426 -10.7867 -25.0378 -13.8391 10.2426 -13.8391 -9.67019 GPRESSAVG: 3059800 29.2635 -11.3818 9.57586 -7.23093 -23.5582 -14.2426 11.2388 -14.4795 -10.0966 TIMING: 3059800 CPU: 9734.49, 0.00312088/step Wall: 9734.49, 0.00312088/step, 1.68198 hours remaining, 233.562500 MB of memory in use. ENERGY: 3059800 3975.8837 20440.0413 14475.9778 264.9189 -203347.0006 2354.9110 0.0000 0.0000 51960.2885 -109874.9795 298.6165 -161835.2680 -109517.4329 298.6787 2.5990 38.6779 758412.5645 -1.3999 -1.4638 PRESSURE: 3060000 0.431191 77.4613 -106.782 77.4613 -134.601 156.549 -106.782 156.549 29.1438 GPRESSURE: 3060000 99.6246 140.465 -86.1844 15.8106 -147.247 198.375 -88.0281 93.9387 17.892 PRESSAVG: 3060000 9.58559 -53.3168 29.9327 -53.3169 -45.2006 3.95899 29.9327 3.95896 -6.79446 GPRESSAVG: 3060000 10.6444 -53.1747 30.8723 -56.1197 -46.4191 3.57566 28.6192 6.77811 -7.06238 TIMING: 3060000 CPU: 9735.11, 0.00311269/step Wall: 9735.11, 0.00311269/step, 1.6774 hours remaining, 233.632812 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: 3060000 3994.7985 20526.8616 14572.5304 228.0384 -203480.8991 2294.9500 0.0000 0.0000 52087.3519 -109776.3684 299.3467 -161863.7203 -109422.9807 298.3098 -35.0087 -9.9102 758285.8653 -14.1365 -14.2790 PRESSURE: 3060200 -31.8247 68.4908 -90.1174 68.4913 -397.334 1.67564 -90.1179 1.67646 -88.6285 GPRESSURE: 3060200 -9.83071 124.582 -87.0152 -26.3714 -337.45 -95.5182 -134.777 -27.7326 -113.626 PRESSAVG: 3060200 52.9021 -25.5381 -54.6023 -25.5381 -16.5941 32.5349 -54.6023 32.5349 -20.8541 GPRESSAVG: 3060200 52.3429 -24.884 -54.6349 -23.9257 -14.6648 30.9707 -54.6851 31.0778 -21.5952 TIMING: 3060200 CPU: 9735.73, 0.00311834/step Wall: 9735.73, 0.00311834/step, 1.68026 hours remaining, 233.632812 MB of memory in use. ENERGY: 3060200 3938.6838 20543.9594 14511.8743 242.6276 -203356.1613 2227.8387 0.0000 0.0000 51985.4509 -109905.7267 298.7611 -161891.1775 -109542.2329 298.6058 -172.5958 -153.6355 759273.8891 5.1513 5.3610 LDB: ============= START OF LOAD BALANCING ============== 9748.15 LDB: ============== END OF LOAD BALANCING =============== 9748.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.15 LDB: ============= START OF LOAD BALANCING ============== 9748.47 LDB: Largest compute 7075 load 0.032079 is 16.4% of average load 0.195563 LDB: Average compute 0.004403 is 2.3% of average load 0.195563 LDB: TIME 9748.47 LOAD: AVG 0.195563 MAX 0.215543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.344 MB LDB: TIME 9748.47 LOAD: AVG 0.195563 MAX 0.215543 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 9748.47 LOAD: AVG 0.195563 MAX 0.215543 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 9748.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.48 PRESSURE: 3060400 173.89 11.194 -139.974 11.1932 -124.7 186.817 -139.973 186.816 -334.541 GPRESSURE: 3060400 127.628 0.760921 -84.5131 108.933 -103.404 73.3274 -66.2968 265.684 -226.405 PRESSAVG: 3060400 24.4982 -14.9278 25.3212 -14.9278 -65.323 8.54742 25.3212 8.54751 -19.2247 GPRESSAVG: 3060400 23.5917 -16.5045 23.8995 -15.1807 -66.2698 10.0829 26.47 8.11207 -16.7066 TIMING: 3060400 CPU: 9736.37, 0.00319515/step Wall: 9736.37, 0.00319515/step, 1.72148 hours remaining, 234.203125 MB of memory in use. ENERGY: 3060400 3936.6488 20313.7565 14552.5077 238.6818 -203560.7534 2416.8908 0.0000 0.0000 52162.9188 -109939.3489 299.7810 -162102.2677 -109568.4530 298.9933 -95.1171 -67.3934 758230.9862 -20.0165 -19.7949 PRESSURE: 3060600 349.717 -133.423 60.2772 -133.423 460.409 -12.1688 60.2779 -12.168 -240.004 GPRESSURE: 3060600 438.585 -217.091 51.9877 -150.441 465.405 -63.4378 39.9012 108.88 -257.277 PRESSAVG: 3060600 49.5572 -53.0065 -20.3752 -53.0065 -11.1125 39.7229 -20.3752 39.7228 6.75306 GPRESSAVG: 3060600 51.5801 -53.2673 -19.299 -52.2887 -12.2655 39.0146 -20.2058 39.9114 5.74225 TIMING: 3060600 CPU: 9737, 0.00312233/step Wall: 9737, 0.00312233/step, 1.68207 hours remaining, 234.750000 MB of memory in use. ENERGY: 3060600 3992.2702 20448.8216 14457.6462 241.2011 -203401.6866 2370.8457 0.0000 0.0000 52247.8351 -109643.0666 300.2690 -161890.9017 -109273.5466 298.8811 190.0410 215.5711 756750.4335 15.0659 15.0190 PRESSURE: 3060800 22.7149 -152.509 -264.077 -152.509 -160.322 -119.609 -264.077 -119.608 30.4151 GPRESSURE: 3060800 32.1096 -204.085 -176.109 -135.513 -145.945 -55.1851 -282.367 -164.706 78.0575 PRESSAVG: 3060800 14.0987 2.7106 21.7191 2.7106 -18.07 -12.8243 21.7191 -12.8243 -1.5939 GPRESSAVG: 3060800 13.1826 3.52551 21.2999 2.91667 -17.0931 -12.6968 20.4238 -11.0374 -1.62829 TIMING: 3060800 CPU: 9737.62, 0.0031353/step Wall: 9737.62, 0.0031353/step, 1.68888 hours remaining, 234.750000 MB of memory in use. ENERGY: 3060800 3998.6333 20491.7572 14547.2010 237.7103 -203357.3382 2342.1748 0.0000 0.0000 52045.9847 -109693.8769 299.1090 -161739.8616 -109336.5437 299.0411 -35.7307 -11.9261 760115.8059 -1.8551 -1.8463 PRESSURE: 3061000 60.6176 -35.6703 17.6017 -35.6704 24.5399 63.9144 17.6007 63.9146 154.921 GPRESSURE: 3061000 108.763 -34.7169 16.5444 -27.0384 -30.6858 -21.1522 119.495 104.999 238.97 PRESSAVG: 3061000 51.8682 -2.39274 -1.29793 -2.39266 -68.8197 26.6113 -1.29799 26.6114 2.61976 GPRESSAVG: 3061000 52.1146 -4.87994 -2.46879 -1.13169 -69.0332 26.3573 0.334695 23.7578 2.54459 TIMING: 3061000 CPU: 9738.25, 0.00313809/step Wall: 9738.25, 0.00313809/step, 1.69021 hours remaining, 234.750000 MB of memory in use. ENERGY: 3061000 3936.1199 20539.8415 14502.7733 227.5225 -203350.9318 2471.6167 0.0000 0.0000 52109.2636 -109563.7943 299.4727 -161673.0579 -109200.3840 299.1632 80.0263 105.6823 759790.4734 -4.7773 -4.7913 PRESSURE: 3061200 -359.523 -15.5189 59.1806 -15.5194 -529.584 39.5762 59.1814 39.5769 -242.768 GPRESSURE: 3061200 -377.538 -21.3651 90.0405 35.9118 -555.825 -18.8064 14.9455 -3.37223 -119.914 PRESSAVG: 3061200 19.1794 -6.11829 17.6923 -6.11836 -51.8049 54.8014 17.6923 54.8013 -16.618 GPRESSAVG: 3061200 19.0325 -3.05437 18.1629 -8.97171 -53.1127 55.5623 15.9271 54.109 -14.9948 TIMING: 3061200 CPU: 9738.88, 0.0031349/step Wall: 9738.88, 0.0031349/step, 1.68832 hours remaining, 234.750000 MB of memory in use. ENERGY: 3061200 4068.1448 20589.3180 14604.8760 258.6150 -203189.5144 2369.6338 0.0000 0.0000 51807.4968 -109491.4299 297.7384 -161298.9267 -109127.2656 299.3309 -377.2916 -351.0921 762260.8869 -16.4145 -16.3583 PRESSURE: 3061400 -189.011 -135.382 -102.954 -135.382 430.513 -230.4 -102.955 -230.401 -236.358 GPRESSURE: 3061400 -119.804 -184.2 -137.377 -89.1546 429.323 -198.041 -90.1213 -248.048 -196.111 PRESSAVG: 3061400 -42.9995 28.5357 41.0508 28.5356 28.1265 35.1379 41.0508 35.1379 40.7963 GPRESSAVG: 3061400 -42.5542 27.2083 41.5997 29.2401 29.9237 33.3667 42.4848 37.5916 39.0412 TIMING: 3061400 CPU: 9739.5, 0.00313038/step Wall: 9739.5, 0.00313038/step, 1.68571 hours remaining, 234.820312 MB of memory in use. ENERGY: 3061400 3985.2985 20359.5199 14467.4505 231.5876 -203336.4318 2375.4185 0.0000 0.0000 52468.8925 -109448.2642 301.5394 -161917.1567 -109068.8684 299.6886 1.7149 37.8026 759744.6981 8.6411 8.8036 PRESSURE: 3061600 -213.826 -103.127 99.751 -103.125 -385.751 115.096 99.751 115.096 -83.0344 GPRESSURE: 3061600 -266.357 -90.9652 83.0921 -113.684 -239.255 99.2945 247.372 206.77 -74.3055 PRESSAVG: 3061600 -29.4187 -26.7243 52.5373 -26.7244 39.9321 -4.39966 52.5373 -4.39964 11.5742 GPRESSAVG: 3061600 -29.528 -25.9064 51.4259 -28.0453 40.2909 -3.13863 52.9287 -1.27167 11.7184 TIMING: 3061600 CPU: 9740.13, 0.00313436/step Wall: 9740.13, 0.00313436/step, 1.68768 hours remaining, 234.820312 MB of memory in use. ENERGY: 3061600 4055.3628 20473.4443 14551.2418 245.8695 -202972.8188 2207.8881 0.0000 0.0000 51878.1485 -109560.8639 298.1444 -161439.0124 -109205.0649 299.7115 -227.5371 -193.3059 761487.7241 7.3625 7.4938 PRESSURE: 3061800 32.8484 -95.3526 148.029 -95.3531 -87.9428 46.4726 148.029 46.4735 119.111 GPRESSURE: 3061800 106.927 -131.429 122.811 48.8527 -81.1713 14.4896 225.595 -69.2025 119.593 PRESSAVG: 3061800 13.5947 -32.1655 -26.5597 -32.1655 -22.1359 26.8341 -26.5598 26.834 -3.58227 GPRESSAVG: 3061800 12.7178 -31.757 -25.0211 -31.4129 -22.2325 26.5408 -25.843 23.1689 -2.56322 TIMING: 3061800 CPU: 9740.76, 0.00313452/step Wall: 9740.76, 0.00313452/step, 1.68759 hours remaining, 234.820312 MB of memory in use. ENERGY: 3061800 3941.8718 20523.5257 14548.7718 252.4838 -203517.9827 2466.2175 0.0000 0.0000 52045.0601 -109740.0520 299.1037 -161785.1122 -109374.3650 298.8803 21.3389 48.4496 759825.4423 -4.0411 -4.0260 PRESSURE: 3062000 -64.1613 -81.9879 -37.8923 -81.9881 355.568 135.859 -37.8922 135.859 90.6459 GPRESSURE: 3062000 -58.6438 -173.017 -73.6276 -43.2621 400.476 187.351 -78.2211 171.524 106.027 PRESSAVG: 3062000 -16.0026 13.1952 -21.5155 13.1952 38.2271 34.0144 -21.5155 34.0144 25.3422 GPRESSAVG: 3062000 -14.0955 11.0528 -20.5629 15.1288 36.3586 34.6085 -23.8173 34.0244 24.6311 TIMING: 3062000 CPU: 9741.38, 0.00310667/step Wall: 9741.38, 0.00310667/step, 1.67243 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3062000 3998.5533 20658.1775 14531.1354 238.6887 -203575.4780 2548.4479 0.0000 0.0000 51955.0996 -109645.3756 298.5867 -161600.4752 -109288.5440 299.3734 127.3510 149.2864 759460.4984 15.8556 15.6314 PRESSURE: 3062200 246.766 71.1628 74.9466 71.164 -239.917 -181.442 74.9475 -181.442 54.4514 GPRESSURE: 3062200 206.84 92.3796 119.156 108.484 -164.806 -148.632 40.2851 -192.606 93.1045 PRESSAVG: 3062200 26.5073 -33.7818 -31.7033 -33.7818 -30.5622 4.09704 -31.7033 4.09706 11.7213 GPRESSAVG: 3062200 26.142 -31.1908 -31.2263 -35.8661 -29.9179 3.49695 -31.1131 4.62624 11.5582 TIMING: 3062200 CPU: 9742, 0.00310098/step Wall: 9742, 0.00310098/step, 1.66919 hours remaining, 234.820312 MB of memory in use. ENERGY: 3062200 3995.0927 20552.2205 14475.0162 245.3040 -203799.0017 2747.4220 0.0000 0.0000 52123.0031 -109660.9432 299.5516 -161783.9463 -109297.9085 298.6430 20.4337 45.0461 758290.7714 2.5555 2.5941 PRESSURE: 3062400 98.9511 -99.3287 98.0267 -99.3288 119.714 -149.58 98.0266 -149.58 -33.5562 GPRESSURE: 3062400 233.1 -110.805 198.487 -33.4628 97.5187 -124.828 -161.791 -36.6908 -38.3617 PRESSAVG: 3062400 -5.86382 -5.16045 20.9807 -5.16043 -25.7768 -17.5442 20.9807 -17.5442 6.6743 GPRESSAVG: 3062400 -5.00298 -6.00814 19.4849 -5.70899 -25.8824 -17.169 20.5434 -16.2343 5.9016 TIMING: 3062400 CPU: 9742.62, 0.00311798/step Wall: 9742.62, 0.00311798/step, 1.67817 hours remaining, 234.820312 MB of memory in use. ENERGY: 3062400 4031.8984 20286.1215 14483.2714 242.8192 -203254.0880 2631.4389 0.0000 0.0000 52011.5433 -109566.9953 298.9111 -161578.5386 -109191.1741 299.1038 61.7030 97.4190 761492.0362 -8.3221 -8.3279 PRESSURE: 3062600 364.183 -41.5746 -37.1851 -41.574 -87.1399 280.72 -37.1853 280.719 -46.0594 GPRESSURE: 3062600 372.338 51.2496 -55.9027 -123.45 -90.0261 243.11 0.746951 310.215 21.4994 PRESSAVG: 3062600 3.0516 -42.3252 16.2839 -42.3252 -11.0612 -21.434 16.2839 -21.434 -9.25389 GPRESSAVG: 3062600 1.87975 -41.1964 16.7892 -41.59 -10.5885 -22.4 16.8051 -21.1838 -8.83838 TIMING: 3062600 CPU: 9743.25, 0.00311554/step Wall: 9743.25, 0.00311554/step, 1.67668 hours remaining, 234.820312 MB of memory in use. ENERGY: 3062600 4024.8150 20443.8366 14477.5738 244.5296 -203090.3801 2439.9540 0.0000 0.0000 51874.5187 -109585.1523 298.1236 -161459.6711 -109232.4221 299.0154 76.9946 101.2705 761471.1862 -5.7545 -5.8490 PRESSURE: 3062800 117.141 -200.08 41.4292 -200.08 -8.75997 -56.215 41.43 -56.2151 -94.6306 GPRESSURE: 3062800 117.67 -191.276 -74.44 -256.578 72.9151 -142.668 61.6885 -102.536 -68.1311 PRESSAVG: 3062800 55.9227 -33.0712 -27.618 -33.0712 -34.8261 20.6413 -27.618 20.6412 27.5378 GPRESSAVG: 3062800 56.5431 -35.632 -27.7187 -34.13 -35.5556 20.698 -27.5119 20.0212 27.9542 TIMING: 3062800 CPU: 9743.87, 0.00312495/step Wall: 9743.87, 0.00312495/step, 1.68157 hours remaining, 234.820312 MB of memory in use. ENERGY: 3062800 3956.2909 20466.0543 14433.0708 236.0058 -203342.7010 2659.8964 0.0000 0.0000 52123.6649 -109467.7179 299.5554 -161591.3828 -109103.7217 299.4132 4.5836 40.8181 760217.7965 16.2115 16.3139 PRESSURE: 3063000 -329.421 98.5919 49.4947 98.5923 -401.603 -109.22 49.4945 -109.221 -520.824 GPRESSURE: 3063000 -408.502 79.506 52.7184 113.239 -344.06 -91.8396 -0.60519 -225.008 -412.788 PRESSAVG: 3063000 29.6848 -5.79858 6.56996 -5.79857 -16.0381 28.5676 6.56998 28.5677 -12.3826 GPRESSAVG: 3063000 29.4875 -5.91511 5.90657 -5.39296 -14.2063 27.8668 5.218 28.8289 -13.5088 TIMING: 3063000 CPU: 9744.49, 0.00312113/step Wall: 9744.49, 0.00312113/step, 1.67934 hours remaining, 234.820312 MB of memory in use. ENERGY: 3063000 4016.8141 20475.4868 14452.3351 248.6224 -202642.5807 1924.4552 0.0000 0.0000 52145.2773 -109379.5897 299.6796 -161524.8670 -109018.4750 299.9036 -417.2828 -388.4501 762657.4104 0.4214 0.5908 PRESSURE: 3063200 -53.4296 -42.8031 18.9287 -42.8032 -114.431 201.027 18.9287 201.027 164.131 GPRESSURE: 3063200 64.4766 -85.984 10.186 -133.028 -60.7714 199.656 -111.382 315.702 79.0335 PRESSAVG: 3063200 -32.5502 10.5618 47.5923 10.5618 45.1 11.6543 47.5922 11.6543 -22.3982 GPRESSAVG: 3063200 -32.9234 12.2722 47.7037 10.8944 43.8095 12.4057 51.2696 8.809 -20.7431 TIMING: 3063200 CPU: 9745.12, 0.00311929/step Wall: 9745.12, 0.00311929/step, 1.67818 hours remaining, 234.820312 MB of memory in use. ENERGY: 3063200 3950.9784 20365.4261 14413.8190 231.2213 -203092.6948 2254.3057 0.0000 0.0000 52252.5349 -109624.4094 300.2960 -161876.9444 -109261.3350 299.4581 -1.2432 27.5796 761375.8205 -3.2828 -3.2857 PRESSURE: 3063400 17.918 -42.6792 -26.9892 -42.6795 -141.564 182.474 -26.9882 182.473 -134.432 GPRESSURE: 3063400 8.51727 42.5331 -2.83174 8.56675 -99.7988 264.075 -186.219 273.427 -79.7775 PRESSAVG: 3063400 4.56581 4.90115 5.64635 4.90107 -26.2775 -3.27532 5.64636 -3.27537 16.6008 GPRESSAVG: 3063400 4.64355 4.26218 5.85384 6.44955 -26.7322 -3.25116 3.00928 -0.0852314 16.6009 TIMING: 3063400 CPU: 9745.74, 0.00310095/step Wall: 9745.74, 0.00310095/step, 1.66814 hours remaining, 234.820312 MB of memory in use. ENERGY: 3063400 4118.0994 20358.5996 14521.6620 245.9495 -203038.0133 2328.1301 0.0000 0.0000 52011.0245 -109454.5483 298.9081 -161465.5728 -109092.7900 299.2412 -86.0260 -57.0197 761344.9712 -1.7036 -1.8292 PRESSURE: 3063600 86.9979 203.177 111.796 203.178 -81.5394 -209.566 111.796 -209.567 -190.215 GPRESSURE: 3063600 124.713 183.821 161.489 180.488 -66.5389 -183.832 32.8236 -259.55 -162.574 PRESSAVG: 3063600 69.8423 10.1531 -25.727 10.1531 -48.9799 4.88465 -25.7271 4.88474 7.43473 GPRESSAVG: 3063600 70.9998 9.49882 -24.6396 8.09914 -49.1248 4.25615 -24.95 3.81609 6.82011 TIMING: 3063600 CPU: 9746.36, 0.00310456/step Wall: 9746.36, 0.00310456/step, 1.66991 hours remaining, 234.820312 MB of memory in use. ENERGY: 3063600 3940.1116 20668.2927 14511.1947 241.8135 -203458.3376 2572.1803 0.0000 0.0000 52227.1921 -109297.5528 300.1504 -161524.7448 -108940.1163 299.7342 -61.5856 -34.7999 761972.7900 9.4324 9.5650 PRESSURE: 3063800 -440.336 5.30986 -133.363 5.31003 -188.379 -1.77739 -133.363 -1.77725 -367.012 GPRESSURE: 3063800 -380.363 -51.1868 -114.633 -20.5282 -235.973 37.2684 27.2885 74.1597 -288.576 PRESSAVG: 3063800 -42.8712 -32.0339 -36.8397 -32.034 40.8966 4.58265 -36.8397 4.58273 -9.84857 GPRESSAVG: 3063800 -43.6634 -32.5828 -36.6049 -31.4663 40.9591 6.74225 -36.7667 6.85616 -9.27366 TIMING: 3063800 CPU: 9746.98, 0.00309355/step Wall: 9746.98, 0.00309355/step, 1.66382 hours remaining, 234.820312 MB of memory in use. ENERGY: 3063800 4056.0414 20338.4053 14520.4642 228.5390 -203029.0773 2362.7551 0.0000 0.0000 52131.3362 -109391.5361 299.5995 -161522.8723 -109027.6339 299.5261 -331.9088 -301.6375 762505.3449 -3.9410 -3.9927 PRESSURE: 3064000 -301.248 -125.473 -134.356 -125.473 36.0621 -26.6932 -134.356 -26.693 -76.3726 GPRESSURE: 3064000 -148.38 -145.992 -146.672 -215.827 5.21124 -37.4035 -137.913 125.849 -109.95 PRESSAVG: 3064000 14.2696 -70.0879 -37.0942 -70.0879 -23.0218 53.7403 -37.0943 53.7402 3.00986 GPRESSAVG: 3064000 14.6006 -70.9937 -38.1914 -69.6707 -22.8681 52.83 -37.0672 55.0699 2.49684 TIMING: 3064000 CPU: 9747.6, 0.00310254/step Wall: 9747.6, 0.00310254/step, 1.66848 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3064000 3936.3668 20638.5968 14452.9957 225.7959 -202996.4707 2340.2038 0.0000 0.0000 52006.6697 -109395.8420 298.8830 -161402.5117 -109036.1862 299.1878 -113.8530 -84.3731 761541.9968 -1.9141 -1.9236 PRESSURE: 3064200 415.456 -256.956 270.556 -256.956 168.374 -1.66758 270.556 -1.66733 24.5347 GPRESSURE: 3064200 431.899 -195.521 296.912 -172.281 172.884 -47.2175 124.917 -67.0845 93.462 PRESSAVG: 3064200 33.8725 -73.7418 -4.58922 -73.7418 -18.7349 -63.4695 -4.58913 -63.4694 -10.4234 GPRESSAVG: 3064200 33.5703 -72.0183 -4.57401 -74.2312 -19.387 -64.2866 -5.04237 -65.6397 -9.44978 TIMING: 3064200 CPU: 9748.22, 0.00310285/step Wall: 9748.22, 0.00310285/step, 1.66847 hours remaining, 234.820312 MB of memory in use. ENERGY: 3064200 3928.7368 20441.8690 14484.0223 253.9830 -203302.9169 2620.8998 0.0000 0.0000 52042.0462 -109531.3597 299.0864 -161573.4059 -109173.2918 299.6358 202.7883 232.7485 758690.2788 1.5714 1.5778 LDB: ============= START OF LOAD BALANCING ============== 9760.64 LDB: ============== END OF LOAD BALANCING =============== 9760.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.64 LDB: ============= START OF LOAD BALANCING ============== 9760.95 LDB: Largest compute 7075 load 0.030255 is 15.5% of average load 0.195533 LDB: Average compute 0.004394 is 2.2% of average load 0.195533 LDB: TIME 9760.95 LOAD: AVG 0.195533 MAX 0.216752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.113 MB LDB: TIME 9760.95 LOAD: AVG 0.195533 MAX 0.216752 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: TIME 9760.95 LOAD: AVG 0.195533 MAX 0.216752 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: ============== END OF LOAD BALANCING =============== 9760.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.96 PRESSURE: 3064400 -249.483 0.504412 -34.5039 0.505404 26.1074 -149.587 -34.5043 -149.586 -166.243 GPRESSURE: 3064400 -222.173 -84.452 -75.7197 76.3401 81.3668 -125.771 -24.7819 -200.378 -156.869 PRESSAVG: 3064400 -23.3973 -80.4293 14.8123 -80.4293 3.05024 -12.1467 14.8123 -12.1467 18.2964 GPRESSAVG: 3064400 -23.4381 -81.0241 16.8685 -81.4159 3.56447 -11.2776 16.4603 -13.289 17.8398 TIMING: 3064400 CPU: 9748.86, 0.00317815/step Wall: 9748.86, 0.00317815/step, 1.70879 hours remaining, 234.910156 MB of memory in use. ENERGY: 3064400 3983.5856 20422.3998 14449.4873 227.9113 -203267.8417 2466.0397 0.0000 0.0000 52086.8027 -109631.6153 299.3436 -161718.4180 -109276.5624 299.4061 -129.8729 -99.2253 762148.5484 -0.6835 -0.6779 PRESSURE: 3064600 -304.141 -241.845 29.3959 -241.846 -88.7335 -204.378 29.3958 -204.379 -287.707 GPRESSURE: 3064600 -236.869 -272.212 136.984 -235.294 -105.74 -210.553 37.7151 -162.043 -259.204 PRESSAVG: 3064600 42.2918 -31.8904 -25.6029 -31.8904 -18.534 -0.426917 -25.6029 -0.426992 -11.7892 GPRESSAVG: 3064600 42.032 -32.5836 -27.7108 -31.5699 -18.6412 -1.00996 -26.981 0.460667 -11.8568 TIMING: 3064600 CPU: 9749.48, 0.00311383/step Wall: 9749.48, 0.00311383/step, 1.67403 hours remaining, 235.304688 MB of memory in use. ENERGY: 3064600 4002.8662 20580.0446 14527.5835 249.2458 -203108.9709 2382.6601 0.0000 0.0000 51820.2691 -109546.3015 297.8118 -161366.5706 -109191.5823 298.6906 -226.8605 -200.6043 762354.6261 3.9895 3.8447 PRESSURE: 3064800 -187.165 31.2919 -96.3428 31.2917 120.252 -65.9717 -96.3431 -65.972 -227.104 GPRESSURE: 3064800 -188.824 2.44903 -250.624 36.4893 178.226 -55.0759 3.54736 -174.946 -221.651 PRESSAVG: 3064800 0.981415 -23.5858 -22.0728 -23.5859 -1.05441 -38.0876 -22.0728 -38.0876 -17.0704 GPRESSAVG: 3064800 2.11929 -23.8637 -21.0736 -22.2299 -1.99796 -36.1715 -20.7818 -38.3553 -17.0087 TIMING: 3064800 CPU: 9750.1, 0.00311615/step Wall: 9750.1, 0.00311615/step, 1.6751 hours remaining, 235.304688 MB of memory in use. ENERGY: 3064800 4016.7847 20421.1764 14497.9465 244.1318 -203408.8071 2548.4847 0.0000 0.0000 52357.5649 -109322.7182 300.8996 -161680.2830 -108963.8232 299.8390 -98.0053 -77.4162 760819.6733 -5.7145 -5.6291 PRESSURE: 3065000 -141.814 -81.7 29.616 -81.7 -284.307 199.452 29.6156 199.453 -74.193 GPRESSURE: 3065000 -63.7328 -108.149 7.95975 -199.096 -194.326 209.739 51.9763 227.444 -142.111 PRESSAVG: 3065000 -31.7423 -89.2974 -20.0824 -89.2975 34.0688 5.40418 -20.0823 5.40412 10.0359 GPRESSAVG: 3065000 -31.2498 -87.7777 -20.3444 -89.9301 34.5486 3.38647 -21.9928 4.56125 8.87962 TIMING: 3065000 CPU: 9750.72, 0.00311909/step Wall: 9750.72, 0.00311909/step, 1.67651 hours remaining, 235.304688 MB of memory in use. ENERGY: 3065000 3990.1450 20544.2266 14520.4667 250.9289 -203000.6286 2105.3664 0.0000 0.0000 52307.8275 -109281.6676 300.6138 -161589.4951 -108916.9116 299.6968 -166.7714 -133.3900 761116.9007 4.1208 4.0595 PRESSURE: 3065200 -195.936 -107.613 126.946 -107.614 -116.086 75.8908 126.947 75.8907 -106.821 GPRESSURE: 3065200 -128.059 -186.869 200.04 -42.7285 -75.6785 67.056 -6.14676 172.903 -132.182 PRESSAVG: 3065200 18.9658 -21.3272 -2.19113 -21.3273 -3.97685 -7.68379 -2.19104 -7.68377 16.1785 GPRESSAVG: 3065200 18.2623 -22.7779 -0.783281 -19.9801 -4.30168 -7.20679 -2.38398 -6.36487 17.3765 TIMING: 3065200 CPU: 9751.35, 0.0031107/step Wall: 9751.35, 0.0031107/step, 1.67183 hours remaining, 235.304688 MB of memory in use. ENERGY: 3065200 4047.7569 20523.0427 14483.1752 224.3786 -203039.9070 2305.5381 0.0000 0.0000 52246.2464 -109209.7692 300.2599 -161456.0156 -108847.6158 300.0359 -139.6147 -111.9734 762699.9947 10.3892 10.4457 PRESSURE: 3065400 373.513 -197.686 -118.95 -197.687 162.438 18.4889 -118.95 18.4877 521.901 GPRESSURE: 3065400 380.049 -238.845 -61.3884 -85.1123 171.002 57.2583 -59.8583 -51.2048 588.482 PRESSAVG: 3065400 1.77043 -90.7523 -20.3484 -90.7522 -43.1507 -31.2321 -20.3484 -31.2321 12.9546 GPRESSAVG: 3065400 1.95905 -89.2775 -20.0055 -90.8564 -42.3901 -30.7211 -21.1943 -31.8113 11.3414 TIMING: 3065400 CPU: 9751.97, 0.00310843/step Wall: 9751.97, 0.00310843/step, 1.67044 hours remaining, 235.304688 MB of memory in use. ENERGY: 3065400 3908.2782 20455.9142 14495.0324 272.0667 -203413.0157 2895.1987 0.0000 0.0000 51798.8065 -109587.7192 297.6885 -161386.5257 -109228.5527 299.3891 352.6173 379.8442 763497.7082 -9.4752 -9.6966 PRESSURE: 3065600 116.645 -31.8072 -98.3145 -31.8062 -24.9613 -115.971 -98.3143 -115.971 124.812 GPRESSURE: 3065600 188.01 -7.11182 -78.9949 -109.943 -51.2572 -63.5301 -130.371 -215.479 173.688 PRESSAVG: 3065600 14.7468 -48.8029 21.2004 -48.8029 -4.25083 -18.3046 21.2004 -18.3045 -5.69765 GPRESSAVG: 3065600 14.2075 -46.1736 18.7795 -51.6659 -5.54606 -20.0852 23.1092 -15.2877 -3.60314 TIMING: 3065600 CPU: 9752.59, 0.00311535/step Wall: 9752.59, 0.00311535/step, 1.67398 hours remaining, 235.304688 MB of memory in use. ENERGY: 3065600 4014.9946 20475.5496 14434.3180 250.0784 -203459.8402 2674.8914 0.0000 0.0000 51980.5846 -109629.4236 298.7331 -161610.0081 -109268.3601 299.6117 72.1652 103.4803 761784.7815 1.5994 1.6861 PRESSURE: 3065800 -378.436 -123.146 -21.4269 -123.145 -51.3934 -18.7992 -21.4267 -18.7999 -106.663 GPRESSURE: 3065800 -341.886 -115.366 -50.6455 -156.21 -27.8477 19.7423 37.1255 -147.323 -94.2845 PRESSAVG: 3065800 12.6005 -65.8434 5.14438 -65.8434 6.89971 -11.5652 5.1444 -11.5651 33.92 GPRESSAVG: 3065800 13.091 -67.4088 6.54298 -64.4286 8.72565 -10.1075 4.12911 -13.6088 31.815 TIMING: 3065800 CPU: 9753.21, 0.00309753/step Wall: 9753.21, 0.00309753/step, 1.66423 hours remaining, 235.304688 MB of memory in use. ENERGY: 3065800 4016.8567 20526.9607 14558.6521 247.1393 -203440.9368 2486.6648 0.0000 0.0000 52089.4728 -109515.1903 299.3589 -161604.6631 -109156.9527 299.1145 -178.8307 -154.6728 760350.2040 17.8067 17.8772 PRESSURE: 3066000 -183.885 -342.088 7.55155 -342.089 97.0571 -124.505 7.55151 -124.504 74.7141 GPRESSURE: 3066000 -126.902 -249.738 -3.09146 -228.889 142.751 -147.316 33.3863 -53.0742 59.7742 PRESSAVG: 3066000 -30.1142 -49.8082 30.5973 -49.8082 14.4478 -25.8881 30.5972 -25.8881 23.7469 GPRESSAVG: 3066000 -29.9661 -51.78 31.8792 -48.9497 13.6708 -25.9634 29.9667 -26.1108 24.1361 TIMING: 3066000 CPU: 9753.83, 0.00310296/step Wall: 9753.83, 0.00310296/step, 1.66698 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3066000 4068.9358 20485.6182 14488.2321 231.7345 -203113.2590 2533.3679 0.0000 0.0000 51775.6770 -109529.6937 297.5555 -161305.3707 -109168.1896 299.0528 -4.0378 25.2076 762346.1847 2.6935 2.6136 PRESSURE: 3066200 -90.6834 -68.5267 -9.45962 -68.5259 54.8172 -59.041 -9.45873 -59.0423 -207.008 GPRESSURE: 3066200 -55.3818 -2.71133 -82.4131 -189.421 38.4322 11.3117 17.1148 -80.219 -156.348 PRESSAVG: 3066200 -61.0008 31.5997 -56.3032 31.5997 -0.555287 17.9785 -56.3033 17.9785 -21.4241 GPRESSAVG: 3066200 -61.9122 32.0476 -56.9596 32.2838 -0.0679479 17.7353 -56.1352 17.7071 -20.4612 TIMING: 3066200 CPU: 9754.45, 0.00311345/step Wall: 9754.45, 0.00311345/step, 1.67244 hours remaining, 235.304688 MB of memory in use. ENERGY: 3066200 3993.4811 20563.9456 14459.8752 255.3739 -202886.8530 2203.6294 0.0000 0.0000 52040.8699 -109369.6779 299.0796 -161410.5478 -109021.1623 299.1757 -80.9581 -57.7659 762041.6406 -27.6600 -27.4804 PRESSURE: 3066400 -255.189 29.4564 -89.3736 29.456 119.555 137.014 -89.3741 137.014 -69.0114 GPRESSURE: 3066400 -221.549 -12.8255 28.2283 87.4624 107.824 101.197 -76.185 194.871 12.592 PRESSAVG: 3066400 -36.0509 -56.8557 18.3876 -56.8558 -38.7067 9.48467 18.3875 9.4846 -2.61586 GPRESSAVG: 3066400 -35.2653 -55.7903 18.7369 -58.9368 -40.4482 11.163 20.2775 9.20745 -2.15898 TIMING: 3066400 CPU: 9755.08, 0.00310416/step Wall: 9755.08, 0.00310416/step, 1.66728 hours remaining, 235.304688 MB of memory in use. ENERGY: 3066400 4010.3410 20650.8652 14463.4268 241.8528 -203088.6027 2375.5550 0.0000 0.0000 52024.8529 -109321.7090 298.9875 -161346.5619 -108966.0595 298.7973 -68.2151 -33.7111 762245.4217 -25.7911 -25.9575 PRESSURE: 3066600 247.087 -100.723 163.557 -100.723 512.166 284.593 163.557 284.593 462.507 GPRESSURE: 3066600 280.625 -212.187 155.928 -71.8582 543.346 274.964 289.125 88.3578 485.373 PRESSAVG: 3066600 17.8758 -29.5128 43.459 -29.5127 -29.8101 18.447 43.4589 18.447 -13.5546 GPRESSAVG: 3066600 16.7304 -30.6187 42.0131 -29.0466 -28.7702 14.9779 43.9893 18.6626 -13.0799 TIMING: 3066600 CPU: 9755.7, 0.00310418/step Wall: 9755.7, 0.00310418/step, 1.66711 hours remaining, 235.304688 MB of memory in use. ENERGY: 3066600 4037.0850 20479.1870 14537.5873 254.1370 -203839.1050 3192.0473 0.0000 0.0000 51754.9036 -109584.1579 297.4361 -161339.0615 -109219.7724 299.1173 407.2534 436.4479 760609.1086 -8.4963 -8.3732 PRESSURE: 3066800 -437.324 49.1728 133.072 49.1731 244.966 -133.553 133.072 -133.553 -11.6311 GPRESSURE: 3066800 -385.825 32.7982 11.7117 -3.97713 255.232 -43.1436 162.166 -136.147 6.72339 PRESSAVG: 3066800 -18.4419 -46.856 36.283 -46.856 -12.2781 -14.23 36.283 -14.2301 -11.002 GPRESSAVG: 3066800 -19.0823 -46.7461 37.7763 -47.6556 -11.599 -11.5039 35.9468 -13.7441 -11.6953 TIMING: 3066800 CPU: 9756.32, 0.00310223/step Wall: 9756.32, 0.00310224/step, 1.6659 hours remaining, 235.304688 MB of memory in use. ENERGY: 3066800 4089.2362 20537.4561 14466.8337 240.6311 -202938.6280 2441.7081 0.0000 0.0000 51728.7410 -109434.0218 297.2858 -161162.7628 -109071.5464 299.1436 -67.9963 -41.2897 763991.0815 -13.9073 -14.1255 PRESSURE: 3067000 -219.063 105.373 190.163 105.374 -132.297 -180.966 190.163 -180.964 -262.147 GPRESSURE: 3067000 -202.705 -6.13652 201.883 45.4597 -36.2992 -198.727 138.729 -116.129 -286.661 PRESSAVG: 3067000 37.1983 -30.1872 -7.15267 -30.1872 -44.7848 12.9834 -7.15266 12.9835 -0.568072 GPRESSAVG: 3067000 37.0596 -31.8353 -6.73494 -28.1426 -44.1442 11.7568 -7.00161 15.0642 -0.860188 TIMING: 3067000 CPU: 9756.94, 0.00312081/step Wall: 9756.94, 0.00312081/step, 1.6757 hours remaining, 235.304688 MB of memory in use. ENERGY: 3067000 4007.6145 20363.8856 14448.2181 254.7294 -203200.2832 2433.2539 0.0000 0.0000 52316.0185 -109376.5631 300.6609 -161692.5816 -109014.6398 299.2036 -204.5022 -175.2216 761680.0136 -2.7182 -2.6483 PRESSURE: 3067200 -2.08876 -20.6061 100.107 -20.6063 186.752 109.153 100.106 109.153 297.157 GPRESSURE: 3067200 23.2696 13.3047 97.0816 74.8943 215.806 132.346 41.4563 105.967 315.307 PRESSAVG: 3067200 23.4272 -52.5252 1.75108 -52.5251 -30.5072 -7.31749 1.7511 -7.31754 -8.87378 GPRESSAVG: 3067200 23.7497 -49.691 -0.591349 -53.0633 -31.333 -6.72656 0.623025 -9.70978 -9.01269 TIMING: 3067200 CPU: 9757.56, 0.00311486/step Wall: 9757.56, 0.00311486/step, 1.67233 hours remaining, 235.304688 MB of memory in use. ENERGY: 3067200 3976.8520 20519.0381 14387.2745 253.3397 -203466.0795 2854.2317 0.0000 0.0000 52112.9139 -109362.4297 299.4936 -161475.3436 -109020.1215 299.3843 160.6066 184.7942 763208.2352 -5.3179 -5.5320 PRESSURE: 3067400 225.583 -73.0593 -184.688 -73.0602 326.643 242.224 -184.688 242.224 448.673 GPRESSURE: 3067400 287.251 -51.4414 -69.6382 -115.769 240.227 257.895 -346.267 345.427 552.888 PRESSAVG: 3067400 7.11838 -66.3231 8.22135 -66.323 -0.704793 19.4906 8.22138 19.4906 -5.27719 GPRESSAVG: 3067400 7.17365 -66.3068 9.43218 -65.8901 -1.61811 19.192 7.99389 22.4157 -4.32978 TIMING: 3067400 CPU: 9758.19, 0.00312651/step Wall: 9758.19, 0.00312651/step, 1.67841 hours remaining, 235.304688 MB of memory in use. ENERGY: 3067400 3988.7602 20418.9640 14562.2184 254.8938 -203514.8566 2805.0485 0.0000 0.0000 52376.9003 -109108.0713 301.0108 -161484.9716 -108740.8781 300.0140 333.6331 360.1220 760340.5356 0.3788 0.4086 PRESSURE: 3067600 -266.843 8.82054 86.1936 8.82055 51.9907 -39.5446 86.1935 -39.5454 -266.099 GPRESSURE: 3067600 -238.569 96.9674 134.555 13.6599 109.081 -35.1711 111.61 -120.653 -279.275 PRESSAVG: 3067600 -37.1202 -40.1108 40.3077 -40.1108 -2.84453 4.40118 40.3076 4.4011 -20.8679 GPRESSAVG: 3067600 -37.4811 -38.5964 40.8789 -40.2815 -2.35007 4.61109 40.367 3.34389 -20.9983 TIMING: 3067600 CPU: 9758.81, 0.00312736/step Wall: 9758.81, 0.00312736/step, 1.6787 hours remaining, 235.304688 MB of memory in use. ENERGY: 3067600 4036.6839 20506.3252 14515.4325 244.4724 -202771.3252 2199.9897 0.0000 0.0000 52204.8924 -109063.5292 300.0222 -161268.4216 -108708.5340 299.9156 -160.3171 -136.2542 762223.5927 -20.2775 -20.2765 PRESSURE: 3067800 50.8989 -67.4869 -22.3595 -67.4874 -258.031 61.3277 -22.3594 61.3275 -115.722 GPRESSURE: 3067800 77.0639 -90.9951 -0.288245 -121.807 -252.17 108.745 -97.1684 39.326 -52.351 PRESSAVG: 3067800 -38.1135 -77.0982 28.9219 -77.0982 19.5329 21.8933 28.9219 21.8933 13.4278 GPRESSAVG: 3067800 -37.7962 -79.1267 26.8982 -75.6289 19.2014 22.0371 29.0973 19.7873 13.1092 TIMING: 3067800 CPU: 9759.44, 0.00311336/step Wall: 9759.44, 0.00311336/step, 1.67101 hours remaining, 235.304688 MB of memory in use. ENERGY: 3067800 3950.5644 20606.1479 14569.4015 243.4781 -203762.0644 2968.5802 0.0000 0.0000 52376.7669 -109047.1254 301.0100 -161423.8923 -108686.9692 300.2379 -107.6181 -75.8190 761001.6231 -1.7176 -1.8285 PRESSURE: 3068000 -134.861 143.376 -129.784 143.375 -353.028 93.0603 -129.784 93.0593 -268.52 GPRESSURE: 3068000 -85.9078 105.345 -44.3535 151.581 -308.912 40.4579 -69.5459 121.061 -268.526 PRESSAVG: 3068000 4.75943 -53.9167 -23.7361 -53.9167 -9.90612 19.1059 -23.7361 19.1059 -3.12528 GPRESSAVG: 3068000 4.11736 -54.3007 -22.7501 -54.1812 -8.76813 18.592 -22.9638 22.0298 -4.08897 TIMING: 3068000 CPU: 9760.06, 0.00310689/step Wall: 9760.06, 0.00310689/step, 1.66737 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3068000 4109.1062 20550.2613 14511.8571 231.3453 -203037.8512 2683.9440 0.0000 0.0000 52102.8542 -108848.4831 299.4358 -160951.3372 -108489.9044 300.3304 -252.1362 -221.1151 762048.4602 -2.7573 -2.9132 PRESSURE: 3068200 -43.436 -160.356 -89.1173 -160.355 -262.748 -53.2946 -89.1169 -53.2946 0.0717271 GPRESSURE: 3068200 -42.1376 1.56361 -32.3074 -122.352 -100.571 -102.398 -177.325 -53.7229 -66.7888 PRESSAVG: 3068200 31.1853 1.08095 27.4593 1.08091 -70.8727 26.3468 27.4592 26.3468 -5.00937 GPRESSAVG: 3068200 30.9936 0.762538 27.6038 1.37061 -70.5535 27.0415 27.0282 23.4633 -5.33608 TIMING: 3068200 CPU: 9760.68, 0.00311397/step Wall: 9760.68, 0.00311397/step, 1.67099 hours remaining, 235.304688 MB of memory in use. ENERGY: 3068200 3968.4339 20478.7747 14532.6515 273.2407 -202842.6727 2342.3023 0.0000 0.0000 52249.9007 -108997.3690 300.2809 -161247.2697 -108619.5045 300.5707 -102.0375 -69.8324 761256.5579 -14.8989 -14.9653 LDB: ============= START OF LOAD BALANCING ============== 9773.1 LDB: ============== END OF LOAD BALANCING =============== 9773.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9773.1 LDB: ============= START OF LOAD BALANCING ============== 9773.41 LDB: Largest compute 7075 load 0.030755 is 15.7% of average load 0.195547 LDB: Average compute 0.004404 is 2.3% of average load 0.195547 LDB: TIME 9773.42 LOAD: AVG 0.195547 MAX 0.217902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 9773.42 LOAD: AVG 0.195547 MAX 0.217902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 9773.42 LOAD: AVG 0.195547 MAX 0.217902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 9773.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9773.42 PRESSURE: 3068400 61.8661 216.829 80.045 216.83 456.888 -58.0268 80.0452 -58.0256 -348.41 GPRESSURE: 3068400 22.825 186.695 39.4654 104.523 489.969 12.7546 138.779 69.0395 -248.95 PRESSAVG: 3068400 -38.9122 -12.5877 -12.9784 -12.5876 23.7763 -5.07062 -12.9784 -5.07067 -4.69355 GPRESSAVG: 3068400 -39.814 -13.1409 -12.0836 -12.9459 23.963 -6.20049 -12.6627 -4.21778 -3.8904 TIMING: 3068400 CPU: 9761.32, 0.00318178/step Wall: 9761.32, 0.00318178/step, 1.7072 hours remaining, 233.429688 MB of memory in use. ENERGY: 3068400 4042.3647 20639.2035 14528.7779 226.4646 -203328.8930 2738.8619 0.0000 0.0000 52301.0021 -108852.2183 300.5746 -161153.2204 -108489.1396 300.5020 56.7812 87.9479 760309.4802 -6.6098 -6.5805 PRESSURE: 3068600 -329.404 127.186 151.034 127.186 203.656 107.183 151.033 107.182 494.904 GPRESSURE: 3068600 -80.3503 110.862 165.667 84.7094 5.57778 121.499 58.0605 90.7436 530.539 PRESSAVG: 3068600 -8.67932 -55.8287 -8.72757 -55.8286 -0.380792 -26.9265 -8.72749 -26.9265 -1.64858 GPRESSAVG: 3068600 -7.27007 -55.8114 -9.04103 -54.411 -2.63777 -25.2416 -7.55961 -27.3745 -0.828139 TIMING: 3068600 CPU: 9761.94, 0.00311824/step Wall: 9761.94, 0.00311824/step, 1.67294 hours remaining, 233.429688 MB of memory in use. ENERGY: 3068600 3957.4485 20625.8226 14479.3204 245.6392 -203156.9718 2513.6647 0.0000 0.0000 52234.9483 -109100.1281 300.1950 -161335.0764 -108741.4967 300.5893 123.0522 151.9222 761686.9859 -3.5696 -3.5787 PRESSURE: 3068800 149.445 -58.0419 -106.89 -58.0413 3.87469 -176.1 -106.891 -176.1 323.09 GPRESSURE: 3068800 176.092 55.8687 -61.6396 -17.9311 106.9 -243.975 -133.04 -117.612 262.718 PRESSAVG: 3068800 19.1084 -4.05155 11.3818 -4.05155 -8.01203 28.4608 11.3818 28.4608 -9.22302 GPRESSAVG: 3068800 18.5063 -4.08882 9.97279 -4.92618 -7.18037 28.5353 10.8571 29.4728 -9.37422 TIMING: 3068800 CPU: 9762.57, 0.0031255/step Wall: 9762.57, 0.0031255/step, 1.67666 hours remaining, 233.687500 MB of memory in use. ENERGY: 3068800 4037.7656 20438.1349 14491.5551 246.8261 -203279.8525 2669.9478 0.0000 0.0000 52302.9709 -109092.6521 300.5859 -161395.6229 -108725.0127 300.2703 158.8033 181.9035 760658.1268 0.6244 0.6506 PRESSURE: 3069000 3.77979 -27.2887 -124.778 -27.2883 170.771 47.1047 -124.778 47.1043 597.901 GPRESSURE: 3069000 15.4672 -2.77326 -104.221 50.476 208.527 30.6087 -71.0602 10.765 623.281 PRESSAVG: 3069000 -0.841158 -28.7996 -44.8072 -28.7996 -33.7952 61.6284 -44.8072 61.6283 18.0816 GPRESSAVG: 3069000 -0.809137 -27.6775 -42.4121 -30.6253 -34.0699 62.1729 -44.746 62.9955 18.1775 TIMING: 3069000 CPU: 9763.19, 0.00312552/step Wall: 9763.19, 0.00312552/step, 1.67649 hours remaining, 233.687500 MB of memory in use. ENERGY: 3069000 3991.9535 20747.9936 14509.2740 245.9772 -203534.8182 2807.2815 0.0000 0.0000 51949.9441 -109282.3942 298.5570 -161232.3384 -108920.0310 299.5620 257.4840 282.4250 761248.0713 -5.5183 -5.5672 PRESSURE: 3069200 -300.754 -27.1434 -114.327 -27.1431 -398.002 69.6039 -114.326 69.6041 62.1787 GPRESSURE: 3069200 -331.114 -27.5022 -132.926 -96.3285 -335.613 113.179 -123.337 61.1309 93.7161 PRESSAVG: 3069200 -6.14906 -22.184 -46.4147 -22.184 -2.99301 10.1672 -46.4148 10.1671 24.9454 GPRESSAVG: 3069200 -7.24747 -24.0808 -47.059 -19.8853 -2.72326 9.21177 -47.6699 9.90672 25.2599 TIMING: 3069200 CPU: 9763.82, 0.00314521/step Wall: 9763.82, 0.00314521/step, 1.68688 hours remaining, 233.687500 MB of memory in use. ENERGY: 3069200 4032.9536 20605.3347 14483.8782 270.5992 -202732.6214 1940.5663 0.0000 0.0000 52111.7764 -109287.5130 299.4871 -161399.2895 -108912.9727 299.5136 -212.1926 -191.0036 761777.4207 5.2678 5.0964 PRESSURE: 3069400 -129.466 -34.7313 -98.4801 -34.7311 -153.246 244.363 -98.4797 244.364 -200.5 GPRESSURE: 3069400 5.36853 11.9425 -96.8334 -81.6581 -188.711 255.383 -32.3143 102.176 -218.173 PRESSAVG: 3069400 24.3867 -7.37707 -22.0399 -7.37708 9.27851 5.10272 -22.0399 5.10278 13.4144 GPRESSAVG: 3069400 25.9519 -5.02637 -23.4515 -9.01026 9.1341 5.06828 -18.2872 4.24576 12.4467 TIMING: 3069400 CPU: 9764.45, 0.00312218/step Wall: 9764.45, 0.00312218/step, 1.67435 hours remaining, 233.687500 MB of memory in use. ENERGY: 3069400 4010.9401 20503.4701 14471.8888 235.3542 -203187.7006 2533.2989 0.0000 0.0000 52197.6760 -109235.0724 299.9808 -161432.7484 -108874.7389 299.6029 -161.0705 -133.8384 761275.7319 15.6932 15.8443 PRESSURE: 3069600 27.5013 -177.371 131.637 -177.371 -150.305 225.334 131.637 225.335 -21.8019 GPRESSURE: 3069600 38.9309 -169.061 104.489 -187.428 -92.1189 215.758 98.8441 90.8422 0.955224 PRESSAVG: 3069600 -10.3358 -30.002 -27.1952 -30.002 9.93048 -2.77609 -27.1952 -2.77604 -13.8196 GPRESSAVG: 3069600 -10.9457 -28.9777 -27.9178 -29.7678 10.0545 -1.84315 -28.2763 -2.89956 -12.9057 TIMING: 3069600 CPU: 9765.07, 0.00313251/step Wall: 9765.07, 0.00313251/step, 1.67972 hours remaining, 233.687500 MB of memory in use. ENERGY: 3069600 4077.1716 20383.3416 14457.0058 270.4449 -202982.9812 2432.5931 0.0000 0.0000 52334.5492 -109027.8751 300.7674 -161362.4242 -108666.6534 299.8494 -48.2017 -17.4109 761397.6464 -4.7416 -4.5989 PRESSURE: 3069800 410.545 -6.35461 106.505 -6.35443 105.95 125.853 106.504 125.853 131.828 GPRESSURE: 3069800 386.082 -10.5341 81.9588 -87.1529 214.106 69.0045 81.7661 134.855 136.216 PRESSAVG: 3069800 46.5045 -49.8985 -28.5854 -49.8985 1.36331 9.63861 -28.5854 9.63853 14.8031 GPRESSAVG: 3069800 45.7885 -52.3843 -27.719 -49.1194 2.83584 9.08045 -31.0662 8.84852 13.7952 TIMING: 3069800 CPU: 9765.7, 0.00313111/step Wall: 9765.7, 0.00313111/step, 1.67879 hours remaining, 233.687500 MB of memory in use. ENERGY: 3069800 4031.9432 20615.7489 14482.6248 251.3557 -203135.7685 2731.6838 0.0000 0.0000 52297.1955 -108725.2165 300.5527 -161022.4120 -108370.3441 300.1155 216.1073 245.4678 759776.2811 20.8903 20.8065 PRESSURE: 3070000 -62.1162 -119.269 -101.43 -119.269 -18.8626 86.5707 -101.429 86.5696 26.4812 GPRESSURE: 3070000 36.4344 -129.702 -103.007 -139.475 30.7663 26.1923 -137.845 -79.151 -39.3762 PRESSAVG: 3070000 8.31719 -6.28333 -47.6887 -6.28333 -0.514511 -55.9744 -47.6887 -55.9743 -9.94687 GPRESSAVG: 3070000 9.09943 -5.712 -47.4841 -6.83048 -2.1407 -57.0042 -47.501 -53.4212 -8.92669 TIMING: 3070000 CPU: 9766.32, 0.00312903/step Wall: 9766.32, 0.00312903/step, 1.67751 hours remaining, 233.687500 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: 3070000 3957.3530 20687.3142 14524.2824 252.8750 -203240.4731 2620.1508 0.0000 0.0000 52277.7534 -108920.7443 300.4410 -161198.4977 -108558.6047 300.4495 -18.1659 9.2748 761490.0621 -0.7147 -0.6560 PRESSURE: 3070200 63.2304 141.787 -65.483 141.787 181.818 -124.437 -65.4824 -124.437 45.0836 GPRESSURE: 3070200 126.025 151.423 -102.041 108.376 210.666 -243.078 -93.6921 33.0722 33.5168 PRESSAVG: 3070200 -4.92012 -84.4296 -54.4363 -84.4296 2.05461 31.7688 -54.4363 31.7688 -10.1367 GPRESSAVG: 3070200 -5.67375 -84.3587 -53.3072 -85.2048 3.71447 30.9385 -54.5149 30.0004 -10.8666 TIMING: 3070200 CPU: 9766.95, 0.00311929/step Wall: 9766.95, 0.00311929/step, 1.67211 hours remaining, 233.687500 MB of memory in use. ENERGY: 3070200 3949.6745 20408.2299 14521.1202 238.8468 -202983.5542 2650.8286 0.0000 0.0000 52405.4777 -108809.3764 301.1750 -161214.8542 -108445.6628 300.3484 96.7108 123.4025 761839.2404 -4.3341 -4.2753 PRESSURE: 3070400 164 115.553 82.7772 115.554 262.373 122.91 82.7767 122.91 102.6 GPRESSURE: 3070400 243.646 -17.5359 96.0895 33.8197 307.379 63.7824 79.3759 230.703 83.8546 PRESSAVG: 3070400 30.8143 -15.0618 -16.7393 -15.0618 1.79696 18.7605 -16.7394 18.7605 33.6111 GPRESSAVG: 3070400 31.6666 -14.9493 -15.8781 -15.2615 0.350942 18.5424 -17.1531 20.7396 34.2048 TIMING: 3070400 CPU: 9767.57, 0.00313553/step Wall: 9767.57, 0.00313553/step, 1.68064 hours remaining, 233.687500 MB of memory in use. ENERGY: 3070400 4073.3958 20603.4175 14491.1766 237.4379 -203035.3767 2272.0016 0.0000 0.0000 52334.5060 -109023.4413 300.7671 -161357.9472 -108664.4555 300.6879 176.3246 211.6265 759289.5779 22.0741 22.0741 PRESSURE: 3070600 -98.4898 390.585 -67.1212 390.584 -124.596 -40.486 -67.121 -40.4856 -340.932 GPRESSURE: 3070600 -87.5591 356.235 -45.2865 395.928 -79.2443 -50.5999 -171.086 -139.977 -317.619 PRESSAVG: 3070600 30.0278 -38.1133 -42.4161 -38.1133 1.71731 16.1781 -42.416 16.1781 10.1318 GPRESSAVG: 3070600 29.8647 -37.692 -44.0579 -38.123 2.31812 18.4279 -41.0363 11.996 10.2289 TIMING: 3070600 CPU: 9768.2, 0.00313062/step Wall: 9768.2, 0.00313062/step, 1.67784 hours remaining, 233.687500 MB of memory in use. ENERGY: 3070600 4019.7408 20638.6831 14522.0812 256.3717 -202782.8561 2417.7885 0.0000 0.0000 52048.2233 -108879.9675 299.1219 -160928.1908 -108528.1292 300.1214 -188.0059 -161.4741 760647.7713 13.9590 14.1372 PRESSURE: 3070800 500.388 50.6901 9.43642 50.6899 -272.697 150.595 9.4356 150.595 243.195 GPRESSURE: 3070800 452.298 44.9263 8.23415 107.428 -167.285 169.279 30.0629 78.5494 258.556 PRESSAVG: 3070800 -12.7429 -40.0997 4.06616 -40.0996 1.54411 15.0593 4.06612 15.0594 -9.70606 GPRESSAVG: 3070800 -13.2099 -40.145 4.28008 -38.9162 2.18041 14.8494 6.67014 17.7848 -10.0944 TIMING: 3070800 CPU: 9768.83, 0.00312695/step Wall: 9768.83, 0.00312695/step, 1.6757 hours remaining, 233.687500 MB of memory in use. ENERGY: 3070800 3986.6705 20560.8810 14532.8772 248.7780 -203164.0688 2576.6104 0.0000 0.0000 52129.6033 -109128.6484 299.5895 -161258.2517 -108775.8237 299.8229 156.9621 181.1898 759671.7083 -6.9683 -7.0413 PRESSURE: 3071000 -53.6085 -133.612 -36.7211 -133.613 -247.455 -23.8879 -36.7214 -23.8883 -29.5173 GPRESSURE: 3071000 -86.8751 -79.8744 9.6264 -80.4184 -167.814 5.7378 -134.303 -73.7927 -4.47166 PRESSAVG: 3071000 2.64204 -37.7981 13.5747 -37.7981 10.6925 32.9846 13.5747 32.9846 -13.2278 GPRESSAVG: 3071000 3.05235 -38.4088 13.1069 -38.4398 10.8816 32.4481 11.8577 34.2773 -13.6879 TIMING: 3071000 CPU: 9769.45, 0.00312172/step Wall: 9769.45, 0.00312172/step, 1.67272 hours remaining, 233.687500 MB of memory in use. ENERGY: 3071000 3986.5806 20475.8132 14508.4509 224.7476 -202913.6554 2442.9459 0.0000 0.0000 52074.4218 -109200.6953 299.2724 -161275.1171 -108833.0400 299.0782 -110.1937 -86.3870 759971.1494 0.0356 0.0820 PRESSURE: 3071200 185.123 72.5165 -114.473 72.516 86.8002 185.931 -114.474 185.93 241.116 GPRESSURE: 3071200 149.234 159.262 -201.382 39.2544 120.082 22.8598 -101.849 237.917 317.2 PRESSAVG: 3071200 19.335 -82.2187 -20.6775 -82.2187 -32.3606 12.0873 -20.6775 12.0873 20.0603 GPRESSAVG: 3071200 19.3972 -83.9167 -21.0097 -81.0839 -33.2261 11.5424 -20.7294 10.7644 20.6658 TIMING: 3071200 CPU: 9770.08, 0.00312802/step Wall: 9770.08, 0.00312802/step, 1.67592 hours remaining, 233.687500 MB of memory in use. ENERGY: 3071200 3948.8485 20523.6305 14431.3155 248.4189 -203028.7912 2646.2421 0.0000 0.0000 52108.6029 -109121.7329 299.4689 -161230.3358 -108753.4780 299.6618 171.0131 195.5055 759630.1442 2.3449 2.2790 PRESSURE: 3071400 -264.128 -255.541 112.295 -255.541 -471.945 -6.76963 112.295 -6.7708 70.9716 GPRESSURE: 3071400 -228.092 -387.832 112.211 -128.19 -419.355 11.7852 16.1595 -51.6215 55.2899 PRESSAVG: 3071400 35.2114 -18.5048 -13.4433 -18.5048 5.18188 -1.31795 -13.4433 -1.31802 4.53329 GPRESSAVG: 3071400 34.6181 -15.3461 -12.92 -19.3901 5.87231 -0.0360184 -13.7407 -0.388039 3.93959 TIMING: 3071400 CPU: 9770.7, 0.00314242/step Wall: 9770.7, 0.00314242/step, 1.68347 hours remaining, 233.687500 MB of memory in use. ENERGY: 3071400 3907.8197 20520.8102 14510.2570 241.6426 -202620.5879 2166.2490 0.0000 0.0000 52129.9427 -109143.8668 299.5915 -161273.8095 -108778.0066 299.5242 -221.7004 -197.3858 761217.0854 14.9755 14.8100 PRESSURE: 3071600 -418.274 -100.592 70.6683 -100.591 -531.729 129.27 70.6686 129.27 -264.193 GPRESSURE: 3071600 -383.943 -132.679 -39.9098 -70.1277 -514.31 210.447 141.268 73.7357 -257.282 PRESSAVG: 3071600 -4.15635 -65.3622 21.4654 -65.3623 36.9776 -23.8228 21.4654 -23.8228 -7.49232 GPRESSAVG: 3071600 -3.03914 -67.9593 20.7573 -63.0808 35.8844 -21.2737 22.8989 -28.8416 -7.27165 TIMING: 3071600 CPU: 9771.33, 0.00313867/step Wall: 9771.33, 0.00313867/step, 1.68128 hours remaining, 233.687500 MB of memory in use. ENERGY: 3071600 4083.6568 20530.5591 14480.1025 226.7979 -202729.9883 1934.6493 0.0000 0.0000 52379.0246 -109095.1981 301.0230 -161474.2227 -108732.8747 299.8299 -404.7318 -385.1786 760549.8249 8.4430 8.5245 PRESSURE: 3071800 213.915 -46.2428 -200.769 -46.2434 131.639 214.991 -200.769 214.99 -31.5103 GPRESSURE: 3071800 218.987 -4.10612 -180.813 -117.351 171.085 167.587 -146.304 85.3079 22.2991 PRESSAVG: 3071800 -7.90624 -11.441 -46.1586 -11.441 37.4193 27.0049 -46.1586 27.0049 -4.89852 GPRESSAVG: 3071800 -8.51755 -10.7276 -44.8546 -14.674 36.636 25.056 -48.6115 28.9964 -3.47286 TIMING: 3071800 CPU: 9771.96, 0.0031418/step Wall: 9771.96, 0.0031418/step, 1.68278 hours remaining, 233.687500 MB of memory in use. ENERGY: 3071800 3947.1019 20432.9390 14504.3541 240.0858 -203084.8595 2674.4835 0.0000 0.0000 52200.0328 -109085.8625 299.9943 -161285.8952 -108728.6289 299.9030 104.6815 137.4570 760488.7649 8.2048 8.2152 PRESSURE: 3072000 -234.241 5.66429 -221.297 5.66439 -22.4343 196.214 -221.297 196.215 69.0854 GPRESSURE: 3072000 -114.251 59.7048 -257.038 82.1365 -35.0176 173.44 4.02234 104.331 57.9526 PRESSAVG: 3072000 -29.094 8.44025 -11.0368 8.44025 24.8387 44.5738 -11.0368 44.5738 -2.31931 GPRESSAVG: 3072000 -27.7897 9.74858 -11.3708 7.10118 24.3115 45.0487 -8.39473 45.8049 -2.94945 TIMING: 3072000 CPU: 9772.59, 0.00313158/step Wall: 9772.59, 0.00313158/step, 1.67713 hours remaining, 233.687500 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: 3072000 3998.0995 20419.5207 14509.8126 266.8834 -202894.0820 2521.7920 0.0000 0.0000 52195.4043 -108982.5695 299.9677 -161177.9738 -108618.2917 300.1056 -62.5300 -30.4388 760811.8908 -2.1915 -2.1426 PRESSURE: 3072200 35.6032 91.0814 104.481 91.0807 134.126 -10.7952 104.48 -10.7945 300.129 GPRESSURE: 3072200 33.4914 78.8151 76.6982 -35.9755 174.884 -118.049 18.3736 34.0463 338.615 PRESSAVG: 3072200 34.7854 -44.0436 -29.9554 -44.0436 -12.1205 4.86758 -29.9554 4.8676 3.58826 GPRESSAVG: 3072200 33.8444 -43.5118 -28.7003 -42.7485 -10.4602 2.69184 -32.5426 4.13648 2.7664 TIMING: 3072200 CPU: 9773.21, 0.00312693/step Wall: 9773.21, 0.00312693/step, 1.67447 hours remaining, 233.687500 MB of memory in use. ENERGY: 3072200 3996.6291 20517.2512 14519.5438 248.9242 -202980.3879 2492.0512 0.0000 0.0000 52185.5244 -109020.4641 299.9109 -161205.9885 -108659.6024 300.1396 156.6194 182.3302 759220.9802 8.7510 8.7169 LDB: ============= START OF LOAD BALANCING ============== 9785.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9785.63 LDB: =============== DONE WITH MIGRATION ================ 9785.63 LDB: ============= START OF LOAD BALANCING ============== 9785.94 LDB: Largest compute 7075 load 0.030537 is 15.6% of average load 0.195538 LDB: Average compute 0.004399 is 2.2% of average load 0.195538 LDB: TIME 9785.95 LOAD: AVG 0.195538 MAX 0.218156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 9785.95 LOAD: AVG 0.195538 MAX 0.218156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: TIME 9785.95 LOAD: AVG 0.195538 MAX 0.218156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: ============== END OF LOAD BALANCING =============== 9785.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9785.95 PRESSURE: 3072400 167.265 -212.05 -93.4741 -212.05 -78.9055 53.2218 -93.4735 53.2218 -242.656 GPRESSURE: 3072400 184.572 -155.914 -145.456 -174.507 -107.546 87.97 -126.548 25.1513 -160.202 PRESSAVG: 3072400 54.7468 4.59589 -44.5585 4.59588 -37.7781 1.08757 -44.5586 1.08758 10.4237 GPRESSAVG: 3072400 55.3322 3.65172 -45.9924 5.16291 -39.1229 1.64571 -40.3412 3.32705 10.7452 TIMING: 3072400 CPU: 9773.85, 0.00317952/step Wall: 9773.85, 0.00317952/step, 1.70246 hours remaining, 233.101562 MB of memory in use. ENERGY: 3072400 4004.2245 20687.4542 14525.2778 219.2116 -202875.2392 2422.1295 0.0000 0.0000 52010.7334 -109006.2081 298.9064 -161016.9416 -108651.7297 299.7538 -51.4320 -27.7251 760350.7135 9.1308 8.9848 PRESSURE: 3072600 -224.899 -145.636 29.2485 -145.635 41.8121 55.955 29.2484 55.9557 -90.0017 GPRESSURE: 3072600 -121.961 -138.932 48.1313 -120.128 44.9807 38.5977 -82.5651 94.4619 -114.423 PRESSAVG: 3072600 -6.72068 -47.7154 -71.9665 -47.7154 -68.258 19.5175 -71.9666 19.5175 19.8459 GPRESSAVG: 3072600 -7.24154 -46.3353 -71.8516 -48.0491 -68.0113 19.6537 -76.105 17.5766 19.9654 TIMING: 3072600 CPU: 9774.48, 0.00313773/step Wall: 9774.48, 0.00313773/step, 1.67991 hours remaining, 233.359375 MB of memory in use. ENERGY: 3072600 4033.2066 20411.4916 14529.2927 257.3778 -202824.3672 2520.5632 0.0000 0.0000 52271.0148 -108801.4203 300.4022 -161072.4352 -108444.3921 300.3748 -91.0296 -63.8011 762034.3146 -18.3776 -18.4291 PRESSURE: 3072800 -77.9975 -134.493 -40.3054 -134.492 -169.856 -164.343 -40.3045 -164.342 -284.896 GPRESSURE: 3072800 -54.9612 -72.5682 -2.50418 -159.834 -100.748 -169.234 -49.2827 -134.847 -300.211 PRESSAVG: 3072800 4.68698 -65.641 -12.1894 -65.641 -41.1407 -19.3669 -12.1893 -19.3669 16.4413 GPRESSAVG: 3072800 5.08197 -68.5978 -11.9741 -65.7871 -39.9502 -18.6171 -12.2102 -21.4237 15.407 TIMING: 3072800 CPU: 9775.1, 0.00312754/step Wall: 9775.1, 0.00312754/step, 1.67428 hours remaining, 233.359375 MB of memory in use. ENERGY: 3072800 3994.8242 20722.7239 14523.8968 258.1429 -202847.3500 2490.5968 0.0000 0.0000 51978.4487 -108878.7166 298.7209 -160857.1653 -108534.7614 300.2019 -177.5830 -151.9734 762433.5055 -6.6708 -6.4871 PRESSURE: 3073000 40.0099 85.0435 83.2819 85.0429 -454.919 98.4952 83.2824 98.4942 -575.885 GPRESSURE: 3073000 -152.021 95.4869 133.869 -57.6632 -275.373 62.5859 96.5991 164.006 -496.863 PRESSAVG: 3073000 68.3252 -34.922 -23.4365 -34.9221 0.280589 -71.9886 -23.4365 -71.9886 21.6995 GPRESSAVG: 3073000 66.738 -34.1899 -23.394 -32.5821 -0.760691 -71.3125 -22.4793 -70.9734 24.1472 TIMING: 3073000 CPU: 9775.72, 0.00311708/step Wall: 9775.72, 0.00311708/step, 1.6685 hours remaining, 233.414062 MB of memory in use. ENERGY: 3073000 3932.5199 20509.9284 14480.8404 259.0802 -202660.3459 2359.6669 0.0000 0.0000 52190.2266 -108928.0834 299.9379 -161118.3101 -108557.0006 300.1467 -330.2648 -308.0857 763209.3228 30.1018 30.0415 PRESSURE: 3073200 -364.339 -47.7488 25.5398 -47.7487 -266.011 28.28 25.5393 28.28 204.225 GPRESSURE: 3073200 -354.155 41.9917 101.918 -11.1028 -222.308 40.6295 56.8473 74.7002 227.021 PRESSAVG: 3073200 13.8922 -22.1955 -16.849 -22.1955 -35.9104 -16.8408 -16.8491 -16.8409 -22.5646 GPRESSAVG: 3073200 14.1964 -21.1234 -17.6868 -21.6088 -35.1956 -17.1537 -17.6999 -16.2246 -23.7143 TIMING: 3073200 CPU: 9776.35, 0.00311981/step Wall: 9776.35, 0.00311981/step, 1.66979 hours remaining, 233.414062 MB of memory in use. ENERGY: 3073200 3970.1299 20515.7072 14532.0130 256.5550 -202784.9066 2458.1883 0.0000 0.0000 52050.1710 -109002.1421 299.1330 -161052.3131 -108639.7386 299.7108 -142.0415 -116.4804 761400.9173 -14.8609 -14.9045 PRESSURE: 3073400 -334.213 -62.5599 -23.0004 -62.5607 -20.9514 -57.1369 -22.9991 -57.1371 161.665 GPRESSURE: 3073400 -258.476 -59.2824 14.8237 -89.3599 -18.0227 -88.9175 3.12112 -21.7606 167.918 PRESSAVG: 3073400 70.0243 -58.6714 27.126 -58.6714 -58.6648 25.4822 27.126 25.4821 31.9267 GPRESSAVG: 3073400 70.6777 -56.6431 29.0185 -61.016 -60.0622 24.941 26.6042 25.3196 32.2834 TIMING: 3073400 CPU: 9776.97, 0.00312944/step Wall: 9776.97, 0.00312944/step, 1.67477 hours remaining, 233.414062 MB of memory in use. ENERGY: 3073400 3989.8969 20579.1401 14451.2724 245.6392 -203045.1355 2543.5178 0.0000 0.0000 52224.5331 -109011.1361 300.1351 -161235.6692 -108642.8690 299.7889 -64.5000 -36.1936 762254.2096 14.4287 14.2996 PRESSURE: 3073600 185.232 -201.346 255.168 -201.346 -130.973 -106.044 255.168 -106.044 75.1686 GPRESSURE: 3073600 166.097 -141.496 284.52 -297.99 -6.79553 -46.7708 128.973 -127.113 58.9926 PRESSAVG: 3073600 0.745278 -57.9204 11.1618 -57.9205 -11.5518 47.1445 11.1618 47.1444 -7.6157 GPRESSAVG: 3073600 0.423924 -60.2123 10.6046 -57.3565 -10.4201 48.6531 11.8414 46.2989 -8.66372 TIMING: 3073600 CPU: 9777.6, 0.00311071/step Wall: 9777.6, 0.00311071/step, 1.66457 hours remaining, 233.414062 MB of memory in use. ENERGY: 3073600 3978.4763 20746.7636 14434.9620 247.5515 -203233.1395 2735.7408 0.0000 0.0000 51969.9836 -109119.6617 298.6722 -161089.6452 -108774.3298 299.9813 43.1424 72.7648 762375.9896 -6.1408 -6.2200 PRESSURE: 3073800 120.478 -120.966 -169.736 -120.965 -137.559 15.905 -169.735 15.9049 -68.7757 GPRESSURE: 3073800 152.135 -194.774 -145.068 -145.78 -110.241 46.2492 -151.564 25.9287 -39.4176 PRESSAVG: 3073800 4.10975 -52.833 8.66682 -52.8331 -8.53366 36.9547 8.66692 36.9547 5.0999 GPRESSAVG: 3073800 4.94102 -53.1786 8.13475 -51.467 -8.82489 37.4055 7.33135 37.8534 4.90959 TIMING: 3073800 CPU: 9778.23, 0.00315573/step Wall: 9778.23, 0.00315573/step, 1.68849 hours remaining, 233.414062 MB of memory in use. ENERGY: 3073800 3981.5964 20614.2727 14526.5898 266.1621 -203509.7421 2686.0260 0.0000 0.0000 52226.5498 -109208.5452 300.1467 -161435.0950 -108852.7229 299.4846 -28.6188 0.8255 761797.5346 0.2253 0.3419 PRESSURE: 3074000 -432.875 37.3346 42.8203 37.3356 145.922 26.7059 42.8207 26.7058 -517.394 GPRESSURE: 3074000 -403.072 63.968 -37.8046 155.649 95.5697 -19.951 127.086 5.86115 -422.6 PRESSAVG: 3074000 19.1113 -11.4718 -13.6489 -11.4719 -50.7156 -21.1245 -13.6488 -21.1246 -17.6511 GPRESSAVG: 3074000 17.5356 -11.7888 -11.9767 -12.397 -51.283 -21.3242 -13.2235 -20.9319 -15.8269 TIMING: 3074000 CPU: 9778.86, 0.00313858/step Wall: 9778.86, 0.00313858/step, 1.67914 hours remaining, 233.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3074000 3946.1388 20764.2863 14512.1875 246.4899 -203116.1793 2400.7457 0.0000 0.0000 52134.3555 -109111.9756 299.6169 -161246.3311 -108747.5861 299.7239 -268.1159 -243.3673 760829.5139 -16.4185 -16.5248 PRESSURE: 3074200 -323.103 -309.222 110.552 -309.223 14.5341 223.534 110.552 223.535 -154.471 GPRESSURE: 3074200 -264.079 -287.981 146.513 -194.595 -6.35324 329.617 155.86 229.068 -93.2619 PRESSAVG: 3074200 -11.8234 4.00202 14.0573 4.00202 16.1844 70.4957 14.0573 70.4957 45.0766 GPRESSAVG: 3074200 -8.17859 4.47353 13.2417 6.32212 14.6246 69.7759 16.4254 69.8235 43.4624 TIMING: 3074200 CPU: 9779.49, 0.00315409/step Wall: 9779.49, 0.00315409/step, 1.68726 hours remaining, 233.617188 MB of memory in use. ENERGY: 3074200 3965.7479 20556.9637 14475.4563 264.7105 -202874.7979 2380.9323 0.0000 0.0000 52087.8364 -109143.1508 299.3495 -161230.9872 -108786.3716 300.0188 -154.3465 -121.2315 761768.3917 16.4792 16.6361 PRESSURE: 3074400 -329.804 165.045 112.193 165.045 -345.208 32.0772 112.193 32.078 102.806 GPRESSURE: 3074400 -286.877 142.207 86.8061 228.627 -308.246 -48.9053 -55.0691 91.9219 111.141 PRESSAVG: 3074400 -44.0267 24.0711 -15.7579 24.0711 1.16577 65.1052 -15.7578 65.1052 -0.728019 GPRESSAVG: 3074400 -45.0096 25.1974 -15.0311 21.6108 2.69704 64.5451 -17.6451 65.9264 -0.740897 TIMING: 3074400 CPU: 9780.11, 0.00312999/step Wall: 9780.11, 0.00312999/step, 1.6742 hours remaining, 233.617188 MB of memory in use. ENERGY: 3074400 4033.6085 20420.2649 14559.5377 270.7193 -203019.2400 2304.0052 0.0000 0.0000 52219.8331 -109211.2714 300.1081 -161431.1044 -108842.6574 300.3611 -190.7354 -161.3277 762004.5360 -14.5297 -14.3512 PRESSURE: 3074600 447.34 44.7781 226.39 44.7791 -19.2867 -162.914 226.389 -162.914 -18.0124 GPRESSURE: 3074600 444.158 41.3245 204.031 -68.0492 7.45401 -126.598 307.464 -160.537 35.3523 PRESSAVG: 3074600 50.8417 18.727 -24.4694 18.727 -48.2809 0.73585 -24.4694 0.735734 -16.8773 GPRESSAVG: 3074600 50.6336 18.1934 -25.9711 19.2809 -47.6933 0.439334 -22.7277 0.899405 -17.4128 TIMING: 3074600 CPU: 9780.74, 0.00311386/step Wall: 9780.74, 0.00311386/step, 1.6654 hours remaining, 233.617188 MB of memory in use. ENERGY: 3074600 3936.8224 20457.5041 14503.7978 248.2131 -203267.7439 2741.8554 0.0000 0.0000 52343.1013 -109036.4499 300.8165 -161379.5511 -108668.0634 299.8145 136.6803 162.3214 761531.9807 -4.7722 -4.8242 PRESSURE: 3074800 51.5521 49.048 69.583 49.0487 -34.595 5.71926 69.583 5.71988 -334.363 GPRESSURE: 3074800 49.1099 23.8402 123.406 -3.44106 97.6149 31.9688 20.5818 -31.5872 -370.954 PRESSAVG: 3074800 16.5477 -43.3349 -4.18521 -43.3349 -35.3738 -66.7796 -4.18516 -66.7796 -10.9866 GPRESSAVG: 3074800 14.8189 -45.2914 -2.57271 -41.8467 -33.1014 -65.9658 -6.19701 -66.9025 -11.3239 TIMING: 3074800 CPU: 9781.36, 0.00310919/step Wall: 9781.36, 0.00310919/step, 1.66272 hours remaining, 233.617188 MB of memory in use. ENERGY: 3074800 3944.1234 20426.9404 14491.7326 247.2141 -203085.6358 2577.1290 0.0000 0.0000 51922.4118 -109476.0846 298.3988 -161398.4964 -109110.5425 299.4545 -105.8020 -74.7430 762336.8470 -9.9376 -9.8688 PRESSURE: 3075000 -241.147 -190.246 -15.3474 -190.246 -321.823 -127.645 -15.346 -127.645 221.275 GPRESSURE: 3075000 -103.506 -167.212 9.59379 -114.854 -325.161 -36.7092 -48.0829 -161.556 140.111 PRESSAVG: 3075000 -11.0692 -35.4553 -30.1382 -35.4552 28.3272 -8.26531 -30.1381 -8.26533 17.9904 GPRESSAVG: 3075000 -10.8893 -32.8904 -31.7646 -37.4081 26.4678 -8.40684 -28.5011 -8.18636 19.2312 TIMING: 3075000 CPU: 9781.98, 0.00310188/step Wall: 9781.98, 0.00310188/step, 1.65865 hours remaining, 233.617188 MB of memory in use. ENERGY: 3075000 3948.4229 20684.8588 14559.6017 231.5818 -203638.3299 2813.4363 0.0000 0.0000 52027.0682 -109373.3601 299.0003 -161400.4284 -109020.4430 299.3796 -113.8985 -96.1855 762157.9914 11.7494 11.6032 PRESSURE: 3075200 -194.244 -174.606 143.523 -174.607 -487.381 230.792 143.523 230.793 -202.199 GPRESSURE: 3075200 -232.217 -170.9 128.077 -133.248 -454.957 308.665 236.04 162.221 -141.1 PRESSAVG: 3075200 43.0968 -19.8353 -20.4971 -19.8353 8.91252 21.2533 -20.497 21.2532 -3.46331 GPRESSAVG: 3075200 43.8611 -20.2651 -18.9153 -19.4015 8.72306 21.3391 -19.8426 19.317 -4.16246 TIMING: 3075200 CPU: 9782.6, 0.00312857/step Wall: 9782.6, 0.00312857/step, 1.67274 hours remaining, 233.617188 MB of memory in use. ENERGY: 3075200 3983.4024 20645.3410 14464.7586 256.0344 -203196.1617 2538.9346 0.0000 0.0000 52111.4998 -109196.1909 299.4855 -161307.6907 -108827.4708 299.8402 -294.6079 -276.0916 761782.8909 16.1820 16.1406 PRESSURE: 3075400 -35.9837 138.617 22.9413 138.617 92.0646 -295.622 22.9406 -295.622 -173.649 GPRESSURE: 3075400 72.3944 59.8724 29.9393 40.7297 38.5879 -271.95 -82.9817 -245.021 -154.741 PRESSAVG: 3075400 29.0685 1.40376 1.17076 1.40373 10.0792 -29.3497 1.17084 -29.3497 -7.61315 GPRESSAVG: 3075400 28.2416 -1.16043 0.739879 2.86647 10.0262 -30.3625 -0.918123 -27.6106 -6.84259 TIMING: 3075400 CPU: 9783.22, 0.00310883/step Wall: 9783.22, 0.00310883/step, 1.66202 hours remaining, 233.617188 MB of memory in use. ENERGY: 3075400 4008.4110 20612.8717 14517.6120 253.1186 -203718.7298 2720.2560 0.0000 0.0000 52401.6072 -109204.8532 301.1528 -161606.4604 -108832.8355 299.8364 -39.1893 -14.5863 761304.7424 10.5115 10.4751 PRESSURE: 3075600 -132.831 84.5011 120.507 84.501 -3.6732 -167.384 120.507 -167.385 -244.834 GPRESSURE: 3075600 -139.254 180.968 106.092 -130.295 10.1379 -199.795 138.685 -31.055 -168.423 PRESSAVG: 3075600 20.5159 62.1135 -17.4972 62.1135 -26.25 -56.9917 -17.4972 -56.9917 11.6908 GPRESSAVG: 3075600 20.5323 63.9218 -17.5126 60.3028 -25.9959 -55.6943 -18.5969 -58.4317 11.4907 TIMING: 3075600 CPU: 9783.85, 0.00311553/step Wall: 9783.85, 0.00311553/step, 1.66542 hours remaining, 233.628906 MB of memory in use. ENERGY: 3075600 4048.0446 20517.8972 14431.0065 251.0762 -203285.9326 2478.9488 0.0000 0.0000 52179.3659 -109379.5935 299.8755 -161558.9593 -109016.2878 299.8756 -127.1127 -99.1797 762663.0651 1.9855 2.0090 PRESSURE: 3075800 -270.964 -152.578 -87.4646 -152.578 -163.638 -170.263 -87.4645 -170.263 -226.89 GPRESSURE: 3075800 -125.02 -144.81 -90.5218 -140.206 -117.93 -197.588 -99.3153 -43.3979 -326.011 PRESSAVG: 3075800 24.9696 -15.6547 -4.42632 -15.6547 -35.9191 -40.6021 -4.4264 -40.6022 4.21924 GPRESSAVG: 3075800 25.5763 -14.7608 -5.35063 -16.8365 -35.469 -40.4075 -1.99393 -38.8655 3.61726 TIMING: 3075800 CPU: 9784.47, 0.00311423/step Wall: 9784.47, 0.00311423/step, 1.66456 hours remaining, 233.628906 MB of memory in use. ENERGY: 3075800 4078.1592 20504.1034 14585.5176 250.6264 -203274.2390 2474.5179 0.0000 0.0000 52156.7400 -109224.5744 299.7455 -161381.3145 -108855.3906 299.8838 -220.4975 -189.6535 760532.6106 -2.2434 -2.0918 PRESSURE: 3076000 -79.1629 -75.6106 -125.587 -75.6105 -200.589 3.95298 -125.586 3.95348 -42.2564 GPRESSURE: 3076000 -74.6752 -25.7288 -45.2733 -21.692 -114.617 39.5604 -51.9955 -47.0071 -49.7138 PRESSAVG: 3076000 11.1403 -44.9779 19.7345 -44.9779 -13.6645 -25.2579 19.7344 -25.2579 21.9679 GPRESSAVG: 3076000 10.7709 -45.9973 19.8321 -45.7359 -13.5175 -24.7109 19.83 -28.2677 22.3711 TIMING: 3076000 CPU: 9785.1, 0.00312493/step Wall: 9785.1, 0.00312493/step, 1.6701 hours remaining, 233.628906 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: 3076000 3963.2666 20654.0156 14463.6566 242.2004 -203198.3588 2464.1587 0.0000 0.0000 52465.5310 -108945.5299 301.5201 -161411.0609 -108567.3427 300.6669 -107.3359 -79.6686 761506.2442 6.4812 6.5415 PRESSURE: 3076200 174.477 -158.802 195.327 -158.802 -19.8428 79.373 195.326 79.3721 -291.393 GPRESSURE: 3076200 294.22 -173.405 88.3156 -247.568 21.3307 93.6497 87.294 149.182 -339.356 PRESSAVG: 3076200 2.63145 -15.7967 45.5475 -15.7967 -2.36006 -4.76414 45.5475 -4.7641 6.79444 GPRESSAVG: 3076200 3.14539 -12.83 45.5842 -15.5048 -1.7441 -6.58016 45.2902 -2.18006 5.89071 TIMING: 3076200 CPU: 9785.72, 0.0031219/step Wall: 9785.72, 0.0031219/step, 1.66831 hours remaining, 233.628906 MB of memory in use. ENERGY: 3076200 4024.6032 20478.9865 14554.8984 243.3689 -202966.8061 2382.5249 0.0000 0.0000 52294.1400 -108988.2843 300.5351 -161282.4243 -108621.9791 300.3777 -45.5863 -7.9353 761336.3722 2.3553 2.4307 LDB: ============= START OF LOAD BALANCING ============== 9798.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9798.14 LDB: =============== DONE WITH MIGRATION ================ 9798.14 LDB: ============= START OF LOAD BALANCING ============== 9798.45 LDB: Largest compute 7076 load 0.030865 is 15.8% of average load 0.195570 LDB: Average compute 0.004400 is 2.2% of average load 0.195570 LDB: TIME 9798.45 LOAD: AVG 0.19557 MAX 0.217597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.359 MB LDB: TIME 9798.46 LOAD: AVG 0.19557 MAX 0.217597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.359 MB LDB: TIME 9798.46 LOAD: AVG 0.19557 MAX 0.217597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.359 MB LDB: ============== END OF LOAD BALANCING =============== 9798.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9798.46 PRESSURE: 3076400 354.65 -176.284 217.08 -176.284 351.524 169.945 217.08 169.945 26.9679 GPRESSURE: 3076400 357.979 -157.838 329.39 -126.08 364.897 167.622 74.2114 142.436 89.3492 PRESSAVG: 3076400 -48.3751 -15.9544 7.22999 -15.9543 39.9258 2.78846 7.22997 2.78852 -19.2507 GPRESSAVG: 3076400 -48.8414 -18.0443 7.64733 -15.4075 39.5978 4.38686 7.93762 3.15779 -18.1047 TIMING: 3076400 CPU: 9786.36, 0.00318018/step Wall: 9786.36, 0.00318018/step, 1.69928 hours remaining, 232.898438 MB of memory in use. ENERGY: 3076400 3946.3733 20555.4216 14441.9828 241.6252 -203099.9110 2618.6371 0.0000 0.0000 52360.6387 -108935.2323 300.9173 -161295.8710 -108561.2637 300.0296 244.3807 270.7418 759366.5387 -9.2333 -9.1161 PRESSURE: 3076600 -127.55 45.4198 -77.1093 45.4201 -102.583 138.791 -77.1092 138.79 -235.407 GPRESSURE: 3076600 -78.5613 75.0177 -43.5366 -107.661 -51.5308 164.158 -133.692 147.86 -250.333 PRESSAVG: 3076600 52.7891 -28.5691 -27.3758 -28.5691 -14.1115 -21.7805 -27.3757 -21.7804 -6.75074 GPRESSAVG: 3076600 53.6038 -29.439 -27.7686 -29.1883 -14.0668 -21.6979 -28.9804 -22.2393 -6.90634 TIMING: 3076600 CPU: 9786.98, 0.00312082/step Wall: 9786.98, 0.00312082/step, 1.66739 hours remaining, 233.097656 MB of memory in use. ENERGY: 3076600 3996.1839 20768.4021 14514.3896 272.3236 -202961.0075 2354.2883 0.0000 0.0000 52192.7268 -108862.6932 299.9523 -161055.4200 -108508.0668 300.3302 -155.1799 -126.8084 760132.1612 10.6423 10.8769 PRESSURE: 3076800 344.612 -93.5637 68.9416 -93.564 201.107 155.994 68.9415 155.996 148.025 GPRESSURE: 3076800 448.484 -38.6724 75.3291 -62.1392 258.59 146.895 78.3764 108.183 85.9703 PRESSAVG: 3076800 30.9762 -83.1499 -31.4427 -83.15 -43.1927 -5.37222 -31.4427 -5.37223 9.02612 GPRESSAVG: 3076800 30.2577 -81.3003 -31.284 -83.41 -41.438 -5.63765 -30.5652 -5.75918 8.06683 TIMING: 3076800 CPU: 9787.6, 0.00311069/step Wall: 9787.6, 0.00311069/step, 1.6618 hours remaining, 233.097656 MB of memory in use. ENERGY: 3076800 3895.8560 20513.0396 14444.2305 245.3405 -202663.8457 2393.4782 0.0000 0.0000 52374.0434 -108797.8575 300.9943 -161171.9010 -108417.2901 300.7766 231.2477 264.3484 760123.4026 -1.0635 -1.0378 PRESSURE: 3077000 338.307 -249.195 119.945 -249.195 175.427 74.3869 119.945 74.3864 422.762 GPRESSURE: 3077000 324.242 -421.993 94.7951 -153.784 215.821 19.1369 154.979 81.7908 473.064 PRESSAVG: 3077000 -16.2785 -28.7123 26.6749 -28.7124 19.4058 -35.615 26.6748 -35.615 3.23862 GPRESSAVG: 3077000 -15.9367 -30.2204 26.47 -25.8388 18.5037 -35.7516 26.7844 -35.9976 3.3754 TIMING: 3077000 CPU: 9788.23, 0.00311738/step Wall: 9788.23, 0.00311738/step, 1.6652 hours remaining, 233.355469 MB of memory in use. ENERGY: 3077000 3995.0624 20713.5124 14448.9117 250.1455 -203277.8291 2787.5035 0.0000 0.0000 52348.4118 -108734.2817 300.8470 -161082.6935 -108381.8403 300.6695 312.1652 337.7089 759957.0675 2.1220 1.9808 PRESSURE: 3077200 -397.484 -210.327 -116.522 -210.327 -307.736 -42.2149 -116.521 -42.2142 -253.268 GPRESSURE: 3077200 -372.9 -102.17 -165.253 -255.114 -264.044 -30.4403 -22.0746 -0.65883 -220.243 PRESSAVG: 3077200 -10.7355 -6.84445 32.9641 -6.84449 -46.6883 -42.9936 32.9642 -42.9935 19.8242 GPRESSAVG: 3077200 -10.815 -6.65998 33.4548 -8.77682 -46.837 -43.5096 31.3016 -41.6296 19.8164 TIMING: 3077200 CPU: 9788.85, 0.00311096/step Wall: 9788.85, 0.00311096/step, 1.6616 hours remaining, 233.355469 MB of memory in use. ENERGY: 3077200 4061.9656 20705.2396 14516.7752 245.9695 -203101.6368 2298.6680 0.0000 0.0000 52477.6301 -108795.3888 301.5897 -161273.0189 -108434.6798 300.6953 -319.4961 -285.7291 760786.6206 -12.5332 -12.6119 PRESSURE: 3077400 -19.8412 195.185 276.967 195.186 59.853 -289.058 276.966 -289.058 299.6 GPRESSURE: 3077400 -35.3461 76.7447 320.826 174.508 147.571 -343.315 75.7994 -184.151 336.755 PRESSAVG: 3077400 -26.6925 -47.933 73.4747 -47.933 -32.5763 33.9903 73.4747 33.9902 -27.6013 GPRESSAVG: 3077400 -25.6946 -50.4917 74.2857 -48.5555 -32.8467 34.4052 73.5076 33.7193 -28.3358 TIMING: 3077400 CPU: 9789.48, 0.00313832/step Wall: 9789.48, 0.00313832/step, 1.67603 hours remaining, 233.355469 MB of memory in use. ENERGY: 3077400 4048.1819 20793.8349 14451.9947 258.7195 -202695.4284 2375.5898 0.0000 0.0000 51889.0180 -108878.0895 298.2069 -160767.1076 -108522.0432 300.8688 113.2040 149.6600 759994.8432 -28.9567 -28.9590 PRESSURE: 3077600 -255.601 -186.766 48.6127 -186.766 -154.94 18.6937 48.6136 18.6945 19.6489 GPRESSURE: 3077600 -248.126 -185.917 75.2946 -183.97 -67.5521 -96.8414 104.679 129.18 -2.41332 PRESSAVG: 3077600 -6.46719 -43.2728 58.1569 -43.2727 -13.3313 -6.3744 58.1569 -6.3744 9.69473 GPRESSAVG: 3077600 -8.07901 -44.1749 55.4376 -41.7002 -12.7307 -8.22847 58.6194 -6.17674 10.4596 TIMING: 3077600 CPU: 9790.1, 0.00312343/step Wall: 9790.1, 0.00312343/step, 1.66791 hours remaining, 233.355469 MB of memory in use. ENERGY: 3077600 3960.1842 20588.6502 14422.8496 238.1977 -203069.8407 2441.4704 0.0000 0.0000 52475.0217 -108943.4669 301.5747 -161418.4885 -108560.1268 301.0086 -130.2974 -106.0304 760646.3639 -3.3679 -3.4500 PRESSURE: 3077800 164.542 -23.1827 47.7029 -23.1831 -68.0556 -153.272 47.7034 -153.273 286.36 GPRESSURE: 3077800 165.715 -58.3942 -10.2119 103.608 -59.6656 -96.9679 -114.474 -172.956 376.402 PRESSAVG: 3077800 29.095 -77.3477 14.0395 -77.3476 -20.146 -15.7911 14.0396 -15.7912 -2.07034 GPRESSAVG: 3077800 30.4337 -73.765 15.4291 -78.3262 -21.0828 -13.3243 14.7627 -15.7878 -2.63668 TIMING: 3077800 CPU: 9790.73, 0.00312402/step Wall: 9790.73, 0.00312402/step, 1.66805 hours remaining, 233.355469 MB of memory in use. ENERGY: 3077800 4076.3746 20614.8843 14465.7481 249.9096 -203156.4102 2507.9715 0.0000 0.0000 52300.0737 -108941.4484 300.5692 -161241.5221 -108581.3586 300.6252 127.6155 160.8172 759378.7075 2.2929 2.2380 PRESSURE: 3078000 510.567 -87.9256 -2.7373 -87.9243 205.015 59.9275 -2.73806 59.9266 -22.9827 GPRESSURE: 3078000 432.045 -84.4693 -96.2052 -29.276 272.824 60.6503 -41.9011 22.599 84.1515 PRESSAVG: 3078000 60.6162 -10.2764 31.1567 -10.2764 -14.08 37.4729 31.1567 37.4729 -2.94542 GPRESSAVG: 3078000 58.7523 -12.8162 30.2737 -9.50989 -13.8222 37.257 32.0068 35.6367 -1.12407 TIMING: 3078000 CPU: 9791.35, 0.00311687/step Wall: 9791.35, 0.00311687/step, 1.66406 hours remaining, 233.355469 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: 3078000 3972.0967 20701.9136 14516.0660 248.5409 -203274.9321 2609.5813 0.0000 0.0000 52316.4033 -108910.3303 300.6631 -161226.7336 -108554.2268 300.9479 230.8662 263.0067 759116.3887 14.5303 14.6020 PRESSURE: 3078200 82.6643 -110.844 57.6873 -110.846 -165.054 94.638 57.6871 94.6371 150.57 GPRESSURE: 3078200 136.843 -146.501 46.1949 39.3822 -207.805 -15.8204 -52.9906 143.472 216.207 PRESSAVG: 3078200 41.3118 -0.561754 5.85952 -0.561796 -70.1062 20.7934 5.85961 20.7934 -0.0608051 GPRESSAVG: 3078200 41.1068 2.16434 6.14591 -1.22022 -70.1032 22.081 4.68271 19.9271 -0.310149 TIMING: 3078200 CPU: 9791.97, 0.00311817/step Wall: 9791.97, 0.00311817/step, 1.66458 hours remaining, 233.355469 MB of memory in use. ENERGY: 3078200 3947.2282 20568.7111 14553.7228 251.2440 -203346.7867 2679.1471 0.0000 0.0000 52483.4689 -108863.2646 301.6232 -161346.7335 -108503.3516 300.6380 22.7266 48.4149 761241.8680 -9.6184 -9.7688 PRESSURE: 3078400 386.907 289.684 130.138 289.684 -67.777 83.7351 130.138 83.736 -106.492 GPRESSURE: 3078400 379.455 161.5 152.303 306.999 -9.90293 104.239 35.3954 226.305 -66.2003 PRESSAVG: 3078400 122.204 -41.9431 10.4021 -41.9432 -117.568 10.9432 10.4021 10.9432 -13.5188 GPRESSAVG: 3078400 123.116 -44.3561 10.5328 -38.5309 -117.483 8.33807 9.01047 12.7601 -14.2059 TIMING: 3078400 CPU: 9792.6, 0.00313036/step Wall: 9792.6, 0.00313036/step, 1.67092 hours remaining, 233.355469 MB of memory in use. ENERGY: 3078400 4044.6219 20636.3148 14444.8660 245.2599 -202790.6009 2368.1002 0.0000 0.0000 52178.6735 -108872.7645 299.8716 -161051.4380 -108507.4972 300.3787 70.8791 101.1174 760178.1245 -2.9608 -2.8576 PRESSURE: 3078600 -49.9594 -19.1368 71.0221 -19.1365 -199.187 -81.0273 71.0217 -81.0289 507.696 GPRESSURE: 3078600 31.0986 -0.783259 52.1591 16.5717 -204.673 -112.169 77.9575 -65.7785 520.358 PRESSAVG: 3078600 63.8605 -2.45893 -46.2907 -2.4589 -64.6107 15.5842 -46.2908 15.5842 -17.011 GPRESSAVG: 3078600 63.7802 -1.65389 -45.9951 -5.74091 -65.909 17.0362 -45.9938 15.5043 -16.1823 TIMING: 3078600 CPU: 9793.23, 0.00313531/step Wall: 9793.23, 0.00313531/step, 1.67339 hours remaining, 233.355469 MB of memory in use. ENERGY: 3078600 3951.6631 20564.4891 14443.3837 223.5679 -203103.2613 2378.6374 0.0000 0.0000 52415.2297 -109126.2903 301.2310 -161541.5200 -108755.2632 300.4041 86.1832 115.5947 760361.6839 -5.9204 -6.1037 PRESSURE: 3078800 120.987 197.245 149.093 197.245 173.79 67.191 149.093 67.19 217.994 GPRESSURE: 3078800 243.564 103.837 144.829 145.421 121.882 79.6367 200.564 -57.4618 233.395 PRESSAVG: 3078800 95.8883 3.62441 -12.5346 3.62436 -72.6433 7.0799 -12.5346 7.07998 -18.0495 GPRESSAVG: 3078800 96.1454 5.30404 -13.0527 4.18414 -71.9071 5.58479 -13.0094 6.50712 -19.2734 TIMING: 3078800 CPU: 9793.85, 0.0031369/step Wall: 9793.85, 0.0031369/step, 1.67406 hours remaining, 233.355469 MB of memory in use. ENERGY: 3078800 3997.5830 20439.6169 14463.1530 248.5521 -202785.1107 2585.6244 0.0000 0.0000 52199.5384 -108851.0429 299.9915 -161050.5813 -108485.1148 300.3915 170.9241 199.6138 761128.6191 1.7318 1.6550 PRESSURE: 3079000 -128.836 -32.3557 -29.5814 -32.3546 -263.709 -46.4631 -29.5807 -46.4627 -661.924 GPRESSURE: 3079000 -122.093 -109.614 -6.62132 -108.833 -194.984 -49.0161 -24.831 -11.7495 -682.831 PRESSAVG: 3079000 55.8702 13.1223 29.3239 13.1223 -41.15 22.5803 29.3239 22.5803 -14.6846 GPRESSAVG: 3079000 54.9997 10.7573 28.1415 13.0178 -40.9493 23.2317 29.9852 22.889 -14.3451 TIMING: 3079000 CPU: 9794.48, 0.00312428/step Wall: 9794.48, 0.00312428/step, 1.66715 hours remaining, 233.355469 MB of memory in use. ENERGY: 3079000 4008.6125 20628.5776 14427.1637 229.8550 -203147.3149 2292.0641 0.0000 0.0000 52526.6564 -109034.3857 301.8714 -161561.0420 -108674.4305 299.7285 -351.4896 -333.3028 760949.4413 0.0118 -0.0982 PRESSURE: 3079200 237.096 -103.507 -61.4268 -103.509 92.2841 231.427 -61.428 231.427 -386.441 GPRESSURE: 3079200 237.403 -114.48 -91.0044 -100.748 174.062 142.301 -38.0242 208.235 -400.259 PRESSAVG: 3079200 53.5451 -30.2306 54.6613 -30.2305 -18.5982 61.4082 54.6612 61.4082 6.53601 GPRESSAVG: 3079200 53.9188 -30.7619 55.2618 -28.9197 -19.2693 60.4278 55.2981 63.8317 6.03607 TIMING: 3079200 CPU: 9795.1, 0.00311034/step Wall: 9795.1, 0.00311034/step, 1.65954 hours remaining, 233.355469 MB of memory in use. ENERGY: 3079200 3936.2241 20521.2585 14445.6815 262.3714 -202981.0277 2547.5651 0.0000 0.0000 52093.9610 -109173.9663 299.3847 -161267.9272 -108819.7378 300.0305 -19.0205 3.7354 761637.1317 13.8277 13.5618 PRESSURE: 3079400 14.0272 31.4041 147.645 31.4042 -443.05 134.552 147.646 134.552 -523.962 GPRESSURE: 3079400 5.54294 27.7224 217.091 109.232 -447.609 80.5033 128.857 -33.2998 -440.195 PRESSAVG: 3079400 6.61448 8.38749 -5.33679 8.38749 -7.58878 25.8066 -5.33678 25.8067 -3.66471 GPRESSAVG: 3079400 6.06545 9.29795 -4.76446 8.0131 -7.16149 26.7447 -5.12362 23.1616 -3.20843 TIMING: 3079400 CPU: 9795.73, 0.00313337/step Wall: 9795.73, 0.00313337/step, 1.67165 hours remaining, 233.355469 MB of memory in use. ENERGY: 3079400 4037.6645 20635.2310 14461.9056 241.8685 -202843.0985 2117.2455 0.0000 0.0000 52173.7772 -109175.4063 299.8434 -161349.1835 -108816.8157 299.2637 -317.6615 -294.0872 761771.2159 -1.5463 -1.4348 PRESSURE: 3079600 -210.254 1.52421 42.1798 1.52463 117.631 -44.0581 42.1805 -44.0581 341.13 GPRESSURE: 3079600 -13.7352 -49.8454 45.0119 -0.60029 97.343 -9.93913 171.943 36.5078 266.224 PRESSAVG: 3079600 35.1708 -26.4545 -12.4998 -26.4545 -23.0184 -12.4331 -12.4998 -12.433 3.965 GPRESSAVG: 3079600 36.6788 -27.0446 -12.8445 -26.8739 -22.2296 -12.3604 -12.3395 -14.4484 1.86655 TIMING: 3079600 CPU: 9796.36, 0.00314814/step Wall: 9796.36, 0.00314814/step, 1.67936 hours remaining, 233.355469 MB of memory in use. ENERGY: 3079600 4027.5127 20481.9238 14520.1917 247.7882 -203125.9359 2646.4652 0.0000 0.0000 52120.9371 -109081.1171 299.5397 -161202.0543 -108710.9059 299.7550 82.8356 116.6106 761436.6316 5.3725 5.4386 PRESSURE: 3079800 210.045 -159.681 244.246 -159.681 118.526 -189.319 244.246 -189.319 -181.629 GPRESSURE: 3079800 194.122 -162.014 310.584 -42.9785 153.582 -183.341 104.089 -86.4302 -105.37 PRESSAVG: 3079800 13.6658 0.139515 10.5624 0.139571 -10.6892 -73.0096 10.5625 -73.0097 12.2795 GPRESSAVG: 3079800 11.6767 0.577759 10.8795 1.41584 -10.637 -72.2596 10.4287 -70.9767 14.5068 TIMING: 3079800 CPU: 9796.98, 0.00312815/step Wall: 9796.98, 0.00312815/step, 1.66852 hours remaining, 233.355469 MB of memory in use. ENERGY: 3079800 4023.7970 20400.3596 14502.7401 259.3512 -203041.7772 2674.2258 0.0000 0.0000 52074.4935 -109106.8100 299.2728 -161181.3035 -108737.2567 300.0244 48.9808 80.7784 759814.4373 5.0854 5.1821 PRESSURE: 3080000 -7.18661 66.403 116.743 66.4024 19.9766 99.202 116.743 99.2022 325.506 GPRESSURE: 3080000 80.4561 -78.7202 106.842 -64.1059 68.0168 86.0325 157.092 38.0922 242.167 PRESSAVG: 3080000 28.4155 -33.1828 -8.27472 -33.1828 2.21427 -23.4939 -8.27478 -23.494 19.8405 GPRESSAVG: 3080000 30.8335 -33.5304 -8.23778 -36.7723 1.52862 -23.9664 -9.32 -25.8604 18.139 TIMING: 3080000 CPU: 9797.6, 0.00311433/step Wall: 9797.6, 0.00311433/step, 1.66097 hours remaining, 233.355469 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: 3080000 4073.8306 20584.3812 14479.5422 255.6653 -202932.8036 2574.6072 0.0000 0.0000 52046.2850 -108918.4921 299.1107 -160964.7772 -108553.1780 299.9326 112.7652 130.2134 761356.3805 16.8234 16.8337 PRESSURE: 3080200 154.196 70.1236 57.3368 70.1235 -26.5405 357.11 57.3368 357.11 68.2522 GPRESSURE: 3080200 131.058 97.5989 117.71 76.2629 22.5635 371.608 -60.441 345.363 117.699 PRESSAVG: 3080200 -14.257 -21.0477 39.6655 -21.0477 -20.5329 26.6841 39.6655 26.6841 -5.5384 GPRESSAVG: 3080200 -15.3197 -20.0519 39.2283 -18.272 -20.9183 28.005 38.3719 28.4708 -4.25528 TIMING: 3080200 CPU: 9798.23, 0.00311335/step Wall: 9798.23, 0.00311335/step, 1.66028 hours remaining, 233.355469 MB of memory in use. ENERGY: 3080200 4022.1219 20462.5787 14416.3963 249.4208 -203318.3519 2721.4007 0.0000 0.0000 52367.9749 -109078.4586 300.9595 -161446.4335 -108706.4676 299.6370 65.3027 90.4404 761601.6980 -13.4428 -13.4978 LDB: ============= START OF LOAD BALANCING ============== 9810.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9810.65 LDB: =============== DONE WITH MIGRATION ================ 9810.65 LDB: ============= START OF LOAD BALANCING ============== 9810.96 LDB: Largest compute 7076 load 0.030753 is 15.7% of average load 0.195444 LDB: Average compute 0.004388 is 2.2% of average load 0.195444 LDB: TIME 9810.96 LOAD: AVG 0.195444 MAX 0.216043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.531 MB LDB: TIME 9810.97 LOAD: AVG 0.195444 MAX 0.216043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 9810.97 LOAD: AVG 0.195444 MAX 0.216043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 9810.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9810.97 PRESSURE: 3080400 167.636 51.21 116.785 51.2092 266.826 24.6401 116.784 24.6401 651.494 GPRESSURE: 3080400 171.642 118.511 17.9362 85.521 379.35 69.427 -3.58793 29.3429 625.001 PRESSAVG: 3080400 5.47564 -12.3772 25.7295 -12.3772 -11.3801 38.146 25.7295 38.146 -2.68046 GPRESSAVG: 3080400 4.58384 -12.7158 24.8707 -12.3569 -9.54732 37.4701 27.0681 36.8269 -3.8154 TIMING: 3080400 CPU: 9798.87, 0.0031949/step Wall: 9798.87, 0.0031949/step, 1.70359 hours remaining, 233.101562 MB of memory in use. ENERGY: 3080400 3954.7598 20623.2628 14428.7163 240.1769 -203415.9648 2898.2679 0.0000 0.0000 52134.8898 -109135.8914 299.6199 -161270.7812 -108774.8081 300.0972 361.9855 391.9977 760652.0060 -2.8616 -2.9263 PRESSURE: 3080600 244.9 -131.779 -177.172 -131.78 -264.002 42.7888 -177.173 42.7876 -8.71937 GPRESSURE: 3080600 266.15 -83.1558 -118.587 -269.423 -240.753 106.701 -130.887 -24.6769 29.3546 PRESSAVG: 3080600 56.8467 -39.4396 17.7932 -39.4396 -25.7407 33.6084 17.7932 33.6085 -7.51346 GPRESSAVG: 3080600 57.4169 -40.888 19.4518 -40.2263 -27.1991 32.7969 16.7888 34.59 -6.79446 TIMING: 3080600 CPU: 9799.49, 0.00312274/step Wall: 9799.49, 0.00312274/step, 1.66494 hours remaining, 233.101562 MB of memory in use. ENERGY: 3080600 4055.4862 20568.9233 14559.7327 225.5471 -203104.9527 2620.7904 0.0000 0.0000 51934.2629 -109140.2101 298.4669 -161074.4730 -108784.8812 299.8033 -9.2738 18.2508 762220.2751 7.8642 7.8078 PRESSURE: 3080800 291.618 -174.302 15.5654 -174.302 -223.743 50.3654 15.5652 50.3653 -648.318 GPRESSURE: 3080800 238.856 -150.481 51.5005 -125.235 -83.6928 63.9093 30.5948 -43.3383 -651.902 PRESSAVG: 3080800 81.8557 -25.737 44.7173 -25.737 -42.0126 8.62255 44.7173 8.62255 12.921 GPRESSAVG: 3080800 81.7975 -24.5827 45.9722 -27.8272 -40.7179 9.83772 46.2612 8.44495 11.5436 TIMING: 3080800 CPU: 9800.11, 0.00311262/step Wall: 9800.11, 0.00311262/step, 1.65937 hours remaining, 233.101562 MB of memory in use. ENERGY: 3080800 3990.9784 20620.0862 14417.1661 257.4300 -203061.3475 2517.4263 0.0000 0.0000 51984.8741 -109273.3863 298.7578 -161258.2604 -108904.8610 299.6498 -193.4813 -165.5796 762182.7310 17.5880 17.5411 PRESSURE: 3081000 148.961 -92.4612 34.7889 -92.4602 198.374 47.2826 34.7894 47.2849 -476.535 GPRESSURE: 3081000 203.757 -81.6076 87.4583 -44.399 193.972 122.857 147.389 59.6073 -440.448 PRESSAVG: 3081000 12.819 -13.1458 88.3784 -13.1458 -26.4643 15.2829 88.3785 15.2829 7.03024 GPRESSAVG: 3081000 12.2048 -13.3766 89.287 -12.3474 -27.4172 14.7876 89.1354 16.1077 8.02567 TIMING: 3081000 CPU: 9800.74, 0.00312485/step Wall: 9800.74, 0.00312485/step, 1.66572 hours remaining, 233.101562 MB of memory in use. ENERGY: 3081000 3977.0995 20543.8750 14488.2912 270.7231 -202976.1739 2327.3092 0.0000 0.0000 52021.4810 -109347.3949 298.9682 -161368.8759 -108975.6498 299.1845 -43.0668 -14.2396 762806.5520 -2.2050 -2.3956 PRESSURE: 3081200 -49.0434 -96.3725 9.475 -96.3727 202.326 -135.326 9.47508 -135.327 -34.1455 GPRESSURE: 3081200 -13.8128 -80.4165 54.3557 -209.443 175.997 -8.08513 -86.5111 -88.5378 35.9392 PRESSAVG: 3081200 24.6202 1.22789 -23.7584 1.22787 -38.7601 -18.2273 -23.7584 -18.2272 8.37983 GPRESSAVG: 3081200 26.3857 1.76885 -25.0038 1.36353 -38.6432 -18.3272 -23.9787 -18.4035 6.27161 TIMING: 3081200 CPU: 9801.36, 0.00312081/step Wall: 9801.36, 0.00312081/step, 1.66339 hours remaining, 233.101562 MB of memory in use. ENERGY: 3081200 3976.1807 20481.8569 14494.9073 245.0349 -203426.5107 2618.5491 0.0000 0.0000 52311.5821 -109298.3997 300.6354 -161609.9817 -108936.5971 299.9255 39.7124 66.0412 760542.4982 -1.9200 -1.9953 PRESSURE: 3081400 -436.379 -151.754 -111.028 -151.753 -326.545 -109.765 -111.028 -109.765 1.28905 GPRESSURE: 3081400 -423.081 -124.836 -141.955 -128.138 -221.88 -180.862 -59.0706 -99.5605 -23.4784 PRESSAVG: 3081400 0.253581 -70.2811 -44.4521 -70.2811 7.13454 17.3913 -44.452 17.3913 19.238 GPRESSAVG: 3081400 -1.03754 -70.1765 -45.8577 -70.0795 7.27893 16.6345 -45.0731 17.2458 20.5773 TIMING: 3081400 CPU: 9801.99, 0.00311983/step Wall: 9801.99, 0.00311983/step, 1.6627 hours remaining, 233.101562 MB of memory in use. ENERGY: 3081400 4012.9419 20478.3568 14547.9208 267.5747 -203326.6332 2503.8796 0.0000 0.0000 52273.7135 -109242.2459 300.4177 -161515.9594 -108883.1009 299.6589 -253.8784 -222.8131 760513.1926 8.8754 8.9396 PRESSURE: 3081600 80.4146 22.7235 -194.032 22.7234 -104.412 -127.067 -194.032 -127.066 379.901 GPRESSURE: 3081600 84.6635 8.17551 -147.419 -38.6278 1.21754 -195.578 -155.328 -112.95 365.251 PRESSAVG: 3081600 53.6097 -5.59355 -97.1438 -5.59348 0.648648 2.65069 -97.1438 2.65074 -4.63095 GPRESSAVG: 3081600 52.5904 -5.55986 -96.9399 -4.51204 2.63369 3.84998 -96.7191 1.94672 -5.45212 TIMING: 3081600 CPU: 9802.61, 0.00311467/step Wall: 9802.61, 0.00311467/step, 1.65977 hours remaining, 233.101562 MB of memory in use. ENERGY: 3081600 4035.0079 20620.5824 14531.5532 255.8526 -203616.9150 2679.3803 0.0000 0.0000 52094.4261 -109400.1124 299.3874 -161494.5386 -109041.6041 299.5777 118.6345 150.3774 760053.8069 16.5425 16.5907 PRESSURE: 3081800 -3.81877 22.2258 34.432 22.2266 225.112 -69.2487 34.431 -69.2497 -37.6481 GPRESSURE: 3081800 76.0708 -77.0075 36.2104 49.7394 193.687 -67.5084 -85.2432 -17.6743 -1.41947 PRESSAVG: 3081800 -1.83912 -30.3032 12.5386 -30.3032 -36.5565 -28.2305 12.5386 -28.2305 -3.31809 GPRESSAVG: 3081800 -1.81197 -30.2678 14.6675 -33.1384 -36.9808 -28.5177 11.7673 -29.1627 -3.29264 TIMING: 3081800 CPU: 9803.24, 0.00313071/step Wall: 9803.24, 0.00313071/step, 1.66815 hours remaining, 233.101562 MB of memory in use. ENERGY: 3081800 3974.9663 20569.0501 14532.8665 241.1046 -203119.3679 2427.1047 0.0000 0.0000 51936.8607 -109437.4151 298.4819 -161374.2758 -109071.6628 298.8582 61.2150 89.4461 760987.9505 -13.9046 -14.0285 PRESSURE: 3082000 28.1927 -111.152 -113.393 -111.152 -14.8279 -15.9248 -113.392 -15.925 -180.395 GPRESSURE: 3082000 10.6367 -160.28 -169.071 -121.938 45.2378 49.7015 -220.584 -107.913 -148.033 PRESSAVG: 3082000 5.12364 -70.6289 -15.4092 -70.6289 -17.7387 -14.9224 -15.4092 -14.9225 -33.9741 GPRESSAVG: 3082000 5.02436 -68.4936 -16.9696 -68.9264 -19.3976 -13.6115 -15.6194 -14.8567 -32.2292 TIMING: 3082000 CPU: 9803.86, 0.0031287/step Wall: 9803.86, 0.0031287/step, 1.6669 hours remaining, 233.101562 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: 3082000 3992.9404 20583.2926 14511.1360 246.1890 -203408.4410 2626.4887 0.0000 0.0000 51930.1672 -109518.2272 298.4434 -161448.3944 -109162.1632 299.2366 -55.6767 -30.7194 761960.9894 -15.5297 -15.5342 PRESSURE: 3082200 -8.05133 -16.8865 -132.312 -16.8856 109.34 69.8543 -132.313 69.8547 -116.012 GPRESSURE: 3082200 148.168 39.0538 -21.0264 -41.2078 70.0024 0.36296 -175.557 142.118 -156.835 PRESSAVG: 3082200 -19.3705 -80.7591 -22.7944 -80.759 -14.7521 -3.6305 -22.7944 -3.63054 23.9027 GPRESSAVG: 3082200 -18.04 -80.267 -22.2604 -82.2325 -14.0762 -6.96962 -22.0024 0.233713 22.4323 TIMING: 3082200 CPU: 9804.49, 0.00312376/step Wall: 9804.49, 0.00312376/step, 1.6641 hours remaining, 233.101562 MB of memory in use. ENERGY: 3082200 3967.0935 20499.5453 14581.5519 239.6987 -202982.8702 2573.9793 0.0000 0.0000 51926.2614 -109194.7401 298.4209 -161121.0016 -108845.6518 298.8916 -4.9078 20.4453 762279.4185 -3.4066 -3.2280 PRESSURE: 3082400 -96.6093 36.4059 -369.34 36.4068 -64.0579 -56.8478 -369.34 -56.849 -271.053 GPRESSURE: 3082400 -107.019 -18.1161 -356.403 1.92555 -71.0568 -128.853 -265.154 -52.5923 -181.208 PRESSAVG: 3082400 -11.8953 -26.6576 -7.7305 -26.6576 26.1694 15.5332 -7.73051 15.5331 -8.44526 GPRESSAVG: 3082400 -11.9449 -29.1733 -7.56673 -25.8576 26.8058 18.606 -8.12997 11.1574 -8.73748 TIMING: 3082400 CPU: 9805.11, 0.0031113/step Wall: 9805.11, 0.0031113/step, 1.65729 hours remaining, 233.101562 MB of memory in use. ENERGY: 3082400 3986.4057 20562.1596 14534.6464 230.5699 -203239.2409 2537.1378 0.0000 0.0000 52081.3601 -109306.9613 299.3123 -161388.3214 -108949.2273 299.6052 -143.9068 -119.7613 761992.4981 1.9430 2.0412 PRESSURE: 3082600 59.2867 120.552 -29.4442 120.551 124.426 67.9577 -29.4439 67.9571 411.747 GPRESSURE: 3082600 97.9631 40.2072 -39.0453 127.193 221.459 115.941 -174.756 25.4416 378.873 PRESSAVG: 3082600 -15.4568 -34.4955 -34.5501 -34.4955 40.5663 -1.35478 -34.5501 -1.35482 -12.102 GPRESSAVG: 3082600 -15.1973 -34.0791 -37.034 -35.7605 40.3156 -1.75936 -35.1191 -0.210026 -11.712 TIMING: 3082600 CPU: 9805.74, 0.00313673/step Wall: 9805.74, 0.00313673/step, 1.67066 hours remaining, 233.101562 MB of memory in use. ENERGY: 3082600 3986.5025 20710.0090 14502.3091 270.4448 -203614.7879 3011.1524 0.0000 0.0000 51900.8932 -109233.4769 298.2751 -161134.3700 -108882.7112 299.7802 198.4866 232.7651 761266.9209 4.3358 4.4688 PRESSURE: 3082800 29.2812 62.1261 207.304 62.1255 218.456 35.1909 207.304 35.1906 596.941 GPRESSURE: 3082800 95.2192 92.2126 173.641 1.63667 161.09 116.715 172.044 -29.8463 661.295 PRESSAVG: 3082800 31.2451 -38.9833 -6.11368 -38.9833 -56.5528 -37.4085 -6.11371 -37.4084 3.31517 GPRESSAVG: 3082800 31.1138 -39.4621 -4.56815 -37.7463 -56.9147 -37.6233 -5.71879 -36.1597 3.78934 TIMING: 3082800 CPU: 9806.36, 0.00313465/step Wall: 9806.36, 0.00313465/step, 1.66938 hours remaining, 233.101562 MB of memory in use. ENERGY: 3082800 4037.7095 20557.5617 14533.2703 269.4152 -203498.2384 2812.8392 0.0000 0.0000 52114.0806 -109173.3618 299.5003 -161287.4424 -108801.9500 300.0920 281.5595 305.8681 760647.8745 -7.3308 -7.3372 PRESSURE: 3083000 206.921 212.597 174.393 212.596 -250.783 -252.36 174.392 -252.36 -237.712 GPRESSURE: 3083000 215.967 97.6942 206.585 178.132 -183.663 -247.24 14.5379 -207.718 -218.252 PRESSAVG: 3083000 34.3557 37.2275 12.362 37.2275 -35.6755 -44.8652 12.3621 -44.8653 -10.6493 GPRESSAVG: 3083000 34.4091 37.9526 12.3267 36.8921 -34.5386 -43.648 11.5558 -46.8062 -11.5307 TIMING: 3083000 CPU: 9806.99, 0.00313768/step Wall: 9806.99, 0.00313768/step, 1.67081 hours remaining, 233.101562 MB of memory in use. ENERGY: 3083000 4001.5249 20600.2487 14518.2498 243.0511 -203449.0818 2506.5656 0.0000 0.0000 52337.9279 -109241.5137 300.7868 -161579.4416 -108870.2852 299.9851 -93.8580 -61.9826 759350.8880 -3.9897 -3.8868 PRESSURE: 3083200 3.5964 110.246 360.037 110.246 391.797 -375.75 360.037 -375.751 19.8999 GPRESSURE: 3083200 45.733 153.567 371.443 186.637 439.234 -348.205 380.985 -415.923 1.26407 PRESSAVG: 3083200 6.80009 -6.41851 -26.333 -6.41844 28.5427 -14.4899 -26.3331 -14.4899 29.1555 GPRESSAVG: 3083200 6.09731 -6.41517 -26.9287 -6.23715 27.7531 -15.0973 -28.0808 -13.4613 30.5399 TIMING: 3083200 CPU: 9807.62, 0.00312648/step Wall: 9807.62, 0.00312648/step, 1.66468 hours remaining, 233.101562 MB of memory in use. ENERGY: 3083200 3984.3593 20723.5401 14500.8207 233.2075 -203641.6940 2890.7762 0.0000 0.0000 52098.1700 -109210.8201 299.4089 -161308.9902 -108859.8325 300.0126 138.4310 162.0772 763025.1978 21.4995 21.4634 PRESSURE: 3083400 119.491 172.438 -70.6438 172.438 -139.283 320.623 -70.6435 320.623 -362.307 GPRESSURE: 3083400 159.454 78.6497 -32.2959 176.654 -166.992 371.564 6.63554 299.696 -281.069 PRESSAVG: 3083400 40.9538 13.9567 5.00586 13.9568 -30.959 15.1526 5.00589 15.1526 7.60889 GPRESSAVG: 3083400 41.8924 12.4316 6.44504 14.5278 -31.8458 14.8784 9.16775 15.9956 7.35185 TIMING: 3083400 CPU: 9808.24, 0.00312495/step Wall: 9808.24, 0.00312495/step, 1.66369 hours remaining, 233.101562 MB of memory in use. ENERGY: 3083400 4025.0248 20554.1726 14534.3478 276.0579 -203327.4029 2388.5604 0.0000 0.0000 52232.2930 -109316.9465 300.1797 -161549.2395 -108944.4755 299.8729 -127.3664 -96.2025 761782.7868 5.8679 5.7995 PRESSURE: 3083600 19.9793 53.3821 136.265 53.3819 -19.8911 -125.034 136.265 -125.034 -27.2723 GPRESSURE: 3083600 8.29436 85.1116 159.801 13.6756 21.6926 -159.417 123.575 -43.7949 23.9364 PRESSAVG: 3083600 -43.8972 -33.1681 5.48647 -33.1681 47.4791 28.625 5.48649 28.6251 -4.52052 GPRESSAVG: 3083600 -43.9405 -32.7362 1.84671 -32.4633 48.1856 29.3253 3.06239 27.2031 -4.51454 TIMING: 3083600 CPU: 9808.86, 0.00311591/step Wall: 9808.86, 0.00311591/step, 1.6587 hours remaining, 233.101562 MB of memory in use. ENERGY: 3083600 3967.4855 20579.8000 14543.1401 240.9597 -203275.4144 2435.9805 0.0000 0.0000 52343.9028 -109164.1457 300.8211 -161508.0485 -108792.1756 300.0555 -9.0614 17.9745 762024.2954 -0.3129 -0.0898 PRESSURE: 3083800 616.227 -79.5689 -131.14 -79.5698 -58.534 5.96908 -131.14 5.96812 -27.1513 GPRESSURE: 3083800 509.514 -1.83681 -186.762 -18.5733 64.7927 50.731 142.009 59.5081 50.0386 PRESSAVG: 3083800 27.6156 -2.8944 -32.7874 -2.89441 -3.18405 -1.3554 -32.7874 -1.3554 -4.51965 GPRESSAVG: 3083800 26.8245 -1.44492 -30.3193 -3.1975 -2.34938 -1.97365 -30.0013 0.324218 -4.56719 TIMING: 3083800 CPU: 9809.49, 0.00313016/step Wall: 9809.49, 0.00313016/step, 1.66612 hours remaining, 233.101562 MB of memory in use. ENERGY: 3083800 3997.4200 20724.2299 14549.3416 244.6804 -203771.2705 2707.0707 0.0000 0.0000 52158.6502 -109389.8777 299.7565 -161548.5279 -109030.1449 300.2941 176.8473 208.1152 760060.0009 6.6373 6.6360 PRESSURE: 3084000 -147.676 -178.253 234.036 -178.253 -285.32 135.639 234.037 135.639 -165.739 GPRESSURE: 3084000 -262.988 -134.739 265.361 -170.929 -203.091 100.239 91.4958 260.742 -32.187 PRESSAVG: 3084000 36.3235 -27.8426 44.1255 -27.8427 -32.2397 -26.9598 44.1255 -26.9598 -8.03074 GPRESSAVG: 3084000 35.873 -28.4449 43.4378 -27.0866 -32.4189 -26.2004 40.0473 -28.523 -7.02554 TIMING: 3084000 CPU: 9810.12, 0.0031424/step Wall: 9810.12, 0.0031424/step, 1.67245 hours remaining, 233.101562 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: 3084000 4039.5688 20601.4445 14515.4334 259.2797 -203607.7945 2520.0295 0.0000 0.0000 52392.0179 -109280.0206 301.0976 -161672.0385 -108917.0670 299.5896 -199.5782 -166.0887 761223.5521 -1.3157 -1.1905 PRESSURE: 3084200 616.443 -3.37 52.2796 -3.37089 252.188 50.3448 52.2791 50.3444 336.62 GPRESSURE: 3084200 656.477 -15.2594 134.175 -130.38 284.41 53.0148 22.9814 8.72519 353.945 PRESSAVG: 3084200 -14.6133 -63.9462 39.3916 -63.9463 -0.170885 -35.1721 39.3917 -35.1721 -7.04927 GPRESSAVG: 3084200 -14.4286 -62.6545 40.0119 -64.8404 -0.0179431 -37.6571 39.7426 -35.2941 -7.19846 TIMING: 3084200 CPU: 9810.74, 0.00312007/step Wall: 9810.74, 0.00312007/step, 1.6604 hours remaining, 233.101562 MB of memory in use. ENERGY: 3084200 4013.6141 20443.6592 14534.5423 249.6853 -203339.9218 2824.5080 0.0000 0.0000 52064.3477 -109209.5653 299.2145 -161273.9129 -108842.5490 299.9431 401.7500 431.6109 762287.6999 -7.2778 -7.2150 LDB: ============= START OF LOAD BALANCING ============== 9823.16 LDB: ============== END OF LOAD BALANCING =============== 9823.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.16 LDB: ============= START OF LOAD BALANCING ============== 9823.47 LDB: Largest compute 7031 load 0.031240 is 16.0% of average load 0.195567 LDB: Average compute 0.004382 is 2.2% of average load 0.195567 LDB: TIME 9823.48 LOAD: AVG 0.195567 MAX 0.215274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.289 MB LDB: TIME 9823.48 LOAD: AVG 0.195567 MAX 0.215274 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: TIME 9823.48 LOAD: AVG 0.195567 MAX 0.215274 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.293 MB LDB: ============== END OF LOAD BALANCING =============== 9823.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.48 PRESSURE: 3084400 137.62 85.0989 47.9044 85.0994 53.3592 67.9619 47.9037 67.9625 -93.7646 GPRESSURE: 3084400 103.569 147.224 15.6228 125.661 146.53 74.2647 105.054 53.1859 -66.2074 PRESSAVG: 3084400 30.1418 -14.276 -15.8658 -14.276 7.38682 -7.30202 -15.8658 -7.30202 15.0024 GPRESSAVG: 3084400 30.2387 -17.2899 -14.6996 -13.3608 6.94771 -4.70935 -14.1558 -8.83767 15.4696 TIMING: 3084400 CPU: 9811.38, 0.00318221/step Wall: 9811.38, 0.00318221/step, 1.69329 hours remaining, 233.929688 MB of memory in use. ENERGY: 3084400 3925.3428 20412.9975 14520.3996 223.6000 -203308.8937 2597.1293 0.0000 0.0000 52228.5600 -109400.8646 300.1583 -161629.4246 -109033.8802 299.9026 32.4048 61.2971 763058.5743 17.5103 17.5520 PRESSURE: 3084600 -155.588 -197.703 114.91 -197.703 -137.677 101.599 114.91 101.599 -385.974 GPRESSURE: 3084600 -141.399 -253.831 35.4005 -220.691 -98.2127 76.8797 56.8356 112.733 -356.765 PRESSAVG: 3084600 42.2454 -40.1185 -1.4893 -40.1185 -46.0743 -6.67267 -1.48923 -6.67267 8.23487 GPRESSAVG: 3084600 42.3166 -40.5605 -1.27539 -40.4328 -46.7649 -7.88802 0.0561209 -4.7453 8.66485 TIMING: 3084600 CPU: 9812.01, 0.00313425/step Wall: 9812.01, 0.00313425/step, 1.66759 hours remaining, 233.929688 MB of memory in use. ENERGY: 3084600 4005.7507 20734.2045 14527.9840 261.5659 -202838.4822 2136.4716 0.0000 0.0000 51814.5024 -109358.0031 297.7787 -161172.5054 -108996.6201 298.9018 -226.4131 -198.7922 763554.3778 1.4686 1.4055 PRESSURE: 3084800 166.204 142.173 59.5708 142.173 115.73 51.5254 59.5713 51.5252 86.5294 GPRESSURE: 3084800 251.743 38.6292 -57.5091 81.0787 89.2096 128.708 -25.7212 -18.3627 102.657 PRESSAVG: 3084800 6.23497 -25.6195 -19.3536 -25.6195 -15.5327 18.4897 -19.3535 18.4897 1.43914 GPRESSAVG: 3084800 5.72123 -24.6626 -21.0748 -26.4376 -14.6833 18.2533 -22.0429 20.036 1.3519 TIMING: 3084800 CPU: 9812.64, 0.00315424/step Wall: 9812.64, 0.00315424/step, 1.67805 hours remaining, 233.929688 MB of memory in use. ENERGY: 3084800 4015.6535 20578.7283 14462.0851 225.6002 -203737.8040 2869.0119 0.0000 0.0000 52351.2444 -109235.4806 300.8633 -161586.7250 -108873.8395 299.5408 122.8211 147.8699 760481.8504 -2.6195 -2.5367 PRESSURE: 3085000 89.5802 -45.0057 31.0742 -45.0061 14.945 113.81 31.0741 113.811 -322.706 GPRESSURE: 3085000 118.232 -68.5899 89.156 -24.13 100.533 108.827 11.2391 0.940472 -355.273 PRESSAVG: 3085000 46.488 12.2134 14.897 12.2134 -52.9058 55.8592 14.897 55.8593 3.19639 GPRESSAVG: 3085000 47.0749 12.717 16.9675 13.0946 -52.8499 57.7614 15.4411 54.1536 2.57235 TIMING: 3085000 CPU: 9813.26, 0.00313187/step Wall: 9813.26, 0.00313187/step, 1.66598 hours remaining, 233.929688 MB of memory in use. ENERGY: 3085000 3930.0692 20533.2728 14550.2217 249.7877 -203273.4858 2546.9967 0.0000 0.0000 52262.2429 -109200.8948 300.3518 -161463.1377 -108822.9866 300.2744 -72.7269 -45.5027 760899.6299 -1.0738 -1.0675 PRESSURE: 3085200 255.713 -106.55 -45.3879 -106.549 342.846 180.592 -45.3882 180.593 -244.282 GPRESSURE: 3085200 332.496 -82.1535 -107.739 -102.43 274.582 162.751 21.2117 155.46 -164.078 PRESSAVG: 3085200 -2.72638 4.24688 19.3796 4.24692 33.5771 5.7681 19.3796 5.76806 4.1689 GPRESSAVG: 3085200 -3.28796 4.72372 18.9184 3.65317 33.2316 5.822 20.4256 5.06681 4.89123 TIMING: 3085200 CPU: 9813.89, 0.00314225/step Wall: 9813.89, 0.00314225/step, 1.67133 hours remaining, 233.929688 MB of memory in use. ENERGY: 3085200 4015.4631 20661.4181 14481.2790 251.7871 -203333.0160 2568.9781 0.0000 0.0000 52472.2688 -108881.8218 301.5589 -161354.0906 -108503.9376 300.5129 118.0921 147.6667 761956.4070 11.6732 11.6116 PRESSURE: 3085400 -74.4099 -87.6086 -119.439 -87.6078 100.085 -32.577 -119.44 -32.5778 319.648 GPRESSURE: 3085400 23.9425 -106.101 -139.957 -23.3546 100.276 -23.1524 -119.49 -85.4903 305.985 PRESSAVG: 3085400 -19.8397 -37.0073 2.87111 -37.0073 -3.85598 2.12298 2.87112 2.12301 23.6935 GPRESSAVG: 3085400 -17.9469 -37.0928 3.20254 -38.8738 -5.74861 1.05228 1.61875 1.88809 23.6424 TIMING: 3085400 CPU: 9814.52, 0.00313079/step Wall: 9814.52, 0.00313079/step, 1.66506 hours remaining, 233.929688 MB of memory in use. ENERGY: 3085400 4000.8045 20583.6110 14518.7064 244.9079 -202903.2146 2271.2134 0.0000 0.0000 52232.0798 -109051.8916 300.1785 -161283.9714 -108691.2055 300.2953 115.1076 143.4009 760979.7182 -0.0007 -0.0177 PRESSURE: 3085600 205.428 36.2108 -159.517 36.2114 -215.094 44.4414 -159.517 44.4406 -78.5311 GPRESSURE: 3085600 300.163 -16.7495 -140.961 14.0179 -196.032 8.20971 -147.194 126.855 -93.4748 PRESSAVG: 3085600 45.3695 -47.1997 -16.6613 -47.1997 -18.8051 39.0653 -16.6613 39.0652 -1.98958 GPRESSAVG: 3085600 45.0376 -46.1353 -17.6044 -44.2156 -17.2064 39.3739 -16.9767 39.4418 -2.85354 TIMING: 3085600 CPU: 9815.14, 0.00312578/step Wall: 9815.14, 0.00312578/step, 1.66222 hours remaining, 233.929688 MB of memory in use. ENERGY: 3085600 3987.1669 20477.1092 14469.4364 222.5557 -203291.0788 2776.8351 0.0000 0.0000 52153.8138 -109204.1617 299.7287 -161357.9755 -108839.4988 299.9196 -29.3990 3.5521 763085.2835 8.1916 8.3259 PRESSURE: 3085800 -330.446 47.663 -125.589 47.6635 -216.728 -21.2538 -125.589 -21.2542 307.917 GPRESSURE: 3085800 -299.812 181.975 -140.269 -34.9405 -132.232 28.6229 -96.3949 -49.8827 277.088 PRESSAVG: 3085800 -19.8383 -41.6385 39.0736 -41.6384 16.9535 22.6159 39.0735 22.6158 17.9002 GPRESSAVG: 3085800 -20.2175 -42.309 40.062 -43.8949 15.5753 24.4909 38.6394 20.4612 19.4263 TIMING: 3085800 CPU: 9815.77, 0.00313771/step Wall: 9815.77, 0.00313771/step, 1.66839 hours remaining, 233.929688 MB of memory in use. ENERGY: 3085800 3985.7268 20511.4634 14575.7119 262.6016 -203101.5421 2224.0405 0.0000 0.0000 52238.8060 -109303.1918 300.2171 -161541.9978 -108941.1078 299.4286 -79.7523 -51.6519 761600.5958 5.0051 4.9280 PRESSURE: 3086000 142.556 -201.373 -104.979 -201.373 -463.597 -105.116 -104.98 -105.116 -32.9176 GPRESSURE: 3086000 96.0111 -196.829 -159.257 -176.118 -362.383 -97.8575 112.831 -13.78 -8.06889 PRESSAVG: 3086000 45.5499 -52.6737 0.993804 -52.6737 -64.9479 -13.1091 0.993818 -13.1091 22.6538 GPRESSAVG: 3086000 44.9738 -50.8703 -1.10973 -52.6947 -64.581 -15.0477 5.84833 -11.7352 22.8752 TIMING: 3086000 CPU: 9816.39, 0.00311/step Wall: 9816.39, 0.00311/step, 1.65349 hours remaining, 233.929688 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: 3086000 3956.3129 20552.1169 14490.4782 240.0935 -202932.5060 2245.5913 0.0000 0.0000 52333.6810 -109114.2321 300.7624 -161447.9131 -108752.3016 299.7648 -117.9861 -91.4804 761597.9331 1.0853 1.0893 PRESSURE: 3086200 227.041 93.5068 109.718 93.507 -37.1903 -39.6733 109.719 -39.6723 -45.8673 GPRESSURE: 3086200 237.739 51.0504 111.483 94.9512 -9.77122 11.1274 -13.0685 -30.7783 15.768 PRESSAVG: 3086200 -40.3091 -27.0162 15.5048 -27.0163 1.68422 34.5208 15.5048 34.5208 17.6998 GPRESSAVG: 3086200 -40.6917 -29.4333 17.2751 -27.2558 1.94328 34.2224 11.4845 34.9393 17.2923 TIMING: 3086200 CPU: 9817.02, 0.00313473/step Wall: 9817.02, 0.00313473/step, 1.66646 hours remaining, 233.929688 MB of memory in use. ENERGY: 3086200 3950.9353 20546.6580 14489.6338 244.5519 -202870.8883 2304.6021 0.0000 0.0000 52138.7416 -109195.7656 299.6421 -161334.5073 -108834.6690 299.5885 47.9946 81.2452 762979.5303 -6.9750 -7.1520 PRESSURE: 3086400 173.623 -269.558 -52.6625 -269.559 -382.724 -141.448 -52.6615 -141.448 119.786 GPRESSURE: 3086400 219.66 -379.028 -23.4486 -209.14 -368.667 -165.311 -21.1019 -60.5658 138.051 PRESSAVG: 3086400 -38.4861 -23.8126 21.8632 -23.8126 14.6581 23.7793 21.8631 23.7793 5.61706 GPRESSAVG: 3086400 -37.3797 -23.6042 21.6142 -23.8912 13.7211 24.5434 22.2587 23.1936 5.11363 TIMING: 3086400 CPU: 9817.64, 0.0031022/step Wall: 9817.64, 0.00310221/step, 1.64899 hours remaining, 233.929688 MB of memory in use. ENERGY: 3086400 3969.3810 20608.0743 14581.4390 242.7380 -203203.7037 2626.2310 0.0000 0.0000 52094.6224 -109081.2179 299.3885 -161175.8404 -108724.5097 300.1759 -29.7716 -3.6518 762207.8411 -6.0703 -6.1817 PRESSURE: 3086600 191.798 141.044 194.578 141.044 6.58776 122.17 194.578 122.17 -338.079 GPRESSURE: 3086600 216.871 146.001 208.879 207.17 -60.9716 112.103 110.061 166.485 -205.999 PRESSAVG: 3086600 66.1882 -12.1726 -17.5348 -12.1726 24.4748 38.2445 -17.5348 38.2445 4.40548 GPRESSAVG: 3086600 64.7817 -13.281 -17.0181 -9.48607 24.4259 38.3776 -18.1627 38.7106 5.37434 TIMING: 3086600 CPU: 9818.26, 0.00311533/step Wall: 9818.26, 0.00311533/step, 1.6558 hours remaining, 233.929688 MB of memory in use. ENERGY: 3086600 3980.8107 20593.9943 14526.2275 235.3551 -203018.4021 2465.8162 0.0000 0.0000 52023.4859 -109192.7125 298.9797 -161216.1984 -108848.1019 300.3394 -46.5647 -16.6997 761590.3232 31.6895 31.5273 PRESSURE: 3086800 135.126 -160.256 129.133 -160.256 173.373 -74.6026 129.133 -74.6032 -147.393 GPRESSURE: 3086800 223.3 -120.938 34.2332 -214.788 149.938 -70.0995 -10.0415 -3.2127 -115.053 PRESSAVG: 3086800 19.4783 17.6377 10.6792 17.6377 -12.539 35.2466 10.6792 35.2465 2.66889 GPRESSAVG: 3086800 19.9129 20.5179 10.0806 14.8564 -11.2389 33.6743 8.95924 34.1543 1.49317 TIMING: 3086800 CPU: 9818.89, 0.0031173/step Wall: 9818.89, 0.0031173/step, 1.65667 hours remaining, 233.929688 MB of memory in use. ENERGY: 3086800 4011.8168 20528.9841 14488.8836 249.0265 -203070.1381 2475.6615 0.0000 0.0000 52300.9422 -109014.8235 300.5742 -161315.7657 -108656.3215 300.1879 53.7020 86.0614 762051.2050 3.2027 3.3890 PRESSURE: 3087000 50.9568 55.0297 -69.9604 55.0293 9.77516 -222.006 -69.9603 -222.006 9.87241 GPRESSURE: 3087000 107.035 -44.7252 -146.612 104.144 -22.1914 -49.2858 -39.9022 -138.643 52.1721 PRESSAVG: 3087000 5.0425 -18.7809 26.9318 -18.781 -20.0387 -9.74308 26.9318 -9.74312 16.6147 GPRESSAVG: 3087000 4.82503 -20.0982 26.2868 -16.7382 -20.4022 -8.5574 28.3062 -9.7649 17.2762 TIMING: 3087000 CPU: 9819.51, 0.00311436/step Wall: 9819.51, 0.00311436/step, 1.65494 hours remaining, 233.929688 MB of memory in use. ENERGY: 3087000 4027.3684 20767.8939 14492.4071 230.6990 -203055.1736 2585.7525 0.0000 0.0000 52058.3862 -108892.6665 299.1803 -160951.0527 -108545.1791 300.4146 23.5348 45.6719 762172.2808 0.5395 0.5663 PRESSURE: 3087200 -223.187 245.322 21.9008 245.323 -501.759 -69.1598 21.9008 -69.1601 29.7345 GPRESSURE: 3087200 -221.441 165.065 22.7934 216.219 -406.502 -146.097 19.6766 -6.28617 19.9803 PRESSAVG: 3087200 61.4766 19.5561 -31.4224 19.5562 -43.2097 -21.8641 -31.4223 -21.864 -13.999 GPRESSAVG: 3087200 61.057 18.9932 -31.6764 18.6812 -42.9058 -23.6805 -30.5321 -20.07 -14.039 TIMING: 3087200 CPU: 9820.13, 0.00311738/step Wall: 9820.13, 0.00311738/step, 1.65637 hours remaining, 233.929688 MB of memory in use. ENERGY: 3087200 4030.4415 20350.9031 14469.5369 227.0240 -203016.5588 2349.6740 0.0000 0.0000 52545.5313 -109043.4481 301.9799 -161588.9795 -108667.3307 300.6664 -231.7373 -202.6541 762393.9953 1.4226 1.3707 PRESSURE: 3087400 212.292 108.146 162.606 108.145 172.719 -296.91 162.606 -296.909 41.3488 GPRESSURE: 3087400 315.608 27.6988 200.513 129.337 148.231 -267.059 46.0452 -252.411 54.3079 PRESSAVG: 3087400 25.5685 -18.5898 -22.3707 -18.5898 -43.6661 -17.1213 -22.3706 -17.1214 -2.38456 GPRESSAVG: 3087400 27.7505 -17.1894 -21.3821 -19.6462 -45.2457 -16.6577 -24.1699 -18.3256 -2.77288 TIMING: 3087400 CPU: 9820.76, 0.00312265/step Wall: 9820.76, 0.00312265/step, 1.65899 hours remaining, 233.929688 MB of memory in use. ENERGY: 3087400 3914.1436 20515.1441 14528.3482 255.6314 -203296.6596 2593.6852 0.0000 0.0000 52414.0334 -109075.6736 301.2242 -161489.7071 -108711.3990 300.4748 142.1198 172.7158 761787.1908 -6.8274 -6.7560 PRESSURE: 3087600 56.8376 49.6418 5.82603 49.6416 -181.319 104.615 5.82493 104.616 142.939 GPRESSURE: 3087600 44.9357 -39.7976 188.968 93.3771 -90.9877 84.6444 30.2564 54.9471 157.915 PRESSAVG: 3087600 47.0365 -58.2606 -52.9811 -58.2606 -56.5119 -16.9292 -52.9811 -16.9292 15.876 GPRESSAVG: 3087600 45.9387 -59.097 -53.7884 -57.5076 -55.486 -17.1832 -51.1549 -14.9137 16.0208 TIMING: 3087600 CPU: 9821.38, 0.00313757/step Wall: 9821.38, 0.00313757/step, 1.66675 hours remaining, 233.929688 MB of memory in use. ENERGY: 3087600 4054.4946 20559.8117 14460.5303 229.6311 -202844.6021 2353.4125 0.0000 0.0000 52098.0374 -109088.6845 299.4081 -161186.7219 -108724.8916 300.1651 6.1528 37.2876 761733.4998 2.1335 2.1579 PRESSURE: 3087800 101.783 -144.761 -58.288 -144.76 -59.4513 181.755 -58.2881 181.754 -64.2624 GPRESSURE: 3087800 161.728 -247.761 -29.0015 -182.434 6.05195 244.621 17.0178 88.462 -98.6879 PRESSAVG: 3087800 -3.28947 -88.9841 0.635426 -88.984 -28.1912 56.3933 0.635515 56.3934 10.7981 GPRESSAVG: 3087800 -3.83537 -87.8999 2.50263 -88.4069 -27.5103 57.0016 -0.869753 53.2763 10.1813 TIMING: 3087800 CPU: 9822.01, 0.00313784/step Wall: 9822.01, 0.00313784/step, 1.66672 hours remaining, 233.929688 MB of memory in use. ENERGY: 3087800 4048.6089 20505.9028 14492.4703 244.7948 -202965.9385 2483.6037 0.0000 0.0000 52151.4020 -109039.1561 299.7148 -161190.5580 -108672.6906 300.0721 -7.3104 23.0305 762304.8564 -6.8942 -7.0548 PRESSURE: 3088000 -231.807 -179.18 8.7517 -179.179 -376.214 27.1098 8.7517 27.1097 139.279 GPRESSURE: 3088000 -166.562 -48.1533 -100.03 -133.27 -355.914 85.0935 -21.0779 16.439 134.885 PRESSAVG: 3088000 18.2419 -80.7731 -13.8027 -80.7731 -57.3841 -11.9309 -13.8027 -11.9309 0.222618 GPRESSAVG: 3088000 16.5897 -81.1052 -14.6413 -79.2947 -57.3654 -11.7514 -13.1884 -10.4038 1.62637 TIMING: 3088000 CPU: 9822.64, 0.00312245/step Wall: 9822.64, 0.00312245/step, 1.65837 hours remaining, 233.929688 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: 3088000 3957.1338 20572.5488 14389.5990 266.3699 -202746.1854 2435.0608 0.0000 0.0000 52397.7129 -108727.7602 301.1304 -161125.4731 -108367.6408 300.5670 -156.2474 -129.1971 762869.6044 -12.9732 -13.0498 PRESSURE: 3088200 -288.213 -209.907 -0.321311 -209.908 227.119 90.7517 -0.322121 90.7521 -194.773 GPRESSURE: 3088200 -159.757 -59.6097 -12.0431 -149.856 196.077 101.08 15.0287 77.2776 -195.753 PRESSAVG: 3088200 28.6045 -2.81503 -7.93716 -2.81501 -31.0454 8.39092 -7.93707 8.39091 16.3834 GPRESSAVG: 3088200 30.4402 -3.61579 -7.23671 -4.07691 -31.4236 7.6769 -9.14159 8.44222 15.011 TIMING: 3088200 CPU: 9823.26, 0.00312104/step Wall: 9823.26, 0.00312104/step, 1.65745 hours remaining, 233.929688 MB of memory in use. ENERGY: 3088200 4043.6597 20501.6065 14449.7851 220.8166 -203230.1160 2680.6691 0.0000 0.0000 52117.0955 -109216.4836 299.5177 -161333.5791 -108856.7641 300.0305 -85.2886 -53.1444 761859.1013 4.6475 4.6759 LDB: ============= START OF LOAD BALANCING ============== 9835.68 LDB: ============== END OF LOAD BALANCING =============== 9835.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.68 LDB: ============= START OF LOAD BALANCING ============== 9835.99 LDB: Largest compute 7069 load 0.031296 is 16.0% of average load 0.195607 LDB: Average compute 0.004382 is 2.2% of average load 0.195607 LDB: TIME 9836 LOAD: AVG 0.195607 MAX 0.214655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.441 MB LDB: TIME 9836 LOAD: AVG 0.195607 MAX 0.214655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: TIME 9836 LOAD: AVG 0.195607 MAX 0.214655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: ============== END OF LOAD BALANCING =============== 9836 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9836 PRESSURE: 3088400 268.584 -318.611 -70.113 -318.61 398.364 100.347 -70.1124 100.347 71.4956 GPRESSURE: 3088400 391.282 -243.288 -77.8196 -239 311.91 -7.07329 -66.9479 63.3382 129.323 PRESSAVG: 3088400 28.8522 -39.0871 -20.3748 -39.0871 -20.3429 4.26619 -20.3748 4.2662 8.05521 GPRESSAVG: 3088400 27.6154 -40.2627 -21.8611 -39.2995 -20.6896 4.45954 -19.228 4.03898 9.38064 TIMING: 3088400 CPU: 9823.9, 0.00319064/step Wall: 9823.9, 0.00319064/step, 1.69423 hours remaining, 233.660156 MB of memory in use. ENERGY: 3088400 3987.6398 20501.2710 14525.9706 254.8766 -203392.9347 2739.7558 0.0000 0.0000 52009.1250 -109374.2959 298.8972 -161383.4209 -109003.6718 299.3483 246.1479 277.5053 759982.0038 5.5215 5.4355 PRESSURE: 3088600 197.361 -34.5258 -74.6457 -34.5261 109.652 -29.034 -74.6463 -29.0337 -40.8705 GPRESSURE: 3088600 285.583 -75.7474 -140.351 -65.5868 95.6735 59.5852 12.3728 77.3811 -15.4422 PRESSAVG: 3088600 43.3506 -41.404 -23.6955 -41.404 4.99735 -40.5124 -23.6956 -40.5123 12.4429 GPRESSAVG: 3088600 44.4591 -40.29 -23.0727 -41.9895 4.04191 -39.4069 -22.7631 -39.9866 12.2891 TIMING: 3088600 CPU: 9824.52, 0.00311296/step Wall: 9824.52, 0.00311296/step, 1.65281 hours remaining, 233.863281 MB of memory in use. ENERGY: 3088600 3989.2274 20446.4945 14460.7650 228.7410 -203413.8970 2673.8070 0.0000 0.0000 52072.8153 -109542.0469 299.2632 -161614.8622 -109181.5740 299.1549 88.7141 121.9380 760007.4567 20.2636 20.2634 PRESSURE: 3088800 -100.874 -120.286 -53.2184 -120.286 -182.252 -1.32033 -53.2187 -1.32094 -215.394 GPRESSURE: 3088800 32.1954 -158.185 -74.8336 -140.72 -178.489 -42.0603 -212.922 -55.615 -253.575 PRESSAVG: 3088800 19.3932 -22.1874 -37.0852 -22.1874 17.3721 -28.7848 -37.0853 -28.7847 3.00504 GPRESSAVG: 3088800 19.3209 -20.8948 -37.1669 -22.3103 17.7028 -29.9186 -36.7467 -30.932 2.97074 TIMING: 3088800 CPU: 9825.14, 0.00311533/step Wall: 9825.14, 0.00311533/step, 1.65389 hours remaining, 233.863281 MB of memory in use. ENERGY: 3088800 3980.7732 20663.6462 14495.8188 234.7719 -202913.4450 2144.2937 0.0000 0.0000 51925.9050 -109468.2362 298.4189 -161394.1412 -109104.0998 298.9147 -166.1733 -133.2895 759866.4401 13.2568 13.3315 PRESSURE: 3089000 -105.004 -206.919 -50.0702 -206.921 94.7555 98.9361 -50.0713 98.9372 -88.3874 GPRESSURE: 3089000 -43.6943 -254.205 -105.786 -105.32 77.9315 97.5645 13.8664 105.631 -40.2664 PRESSAVG: 3089000 21.0585 -4.70958 7.2636 -4.70958 -17.8918 36.1236 7.26365 36.1237 -35.0596 GPRESSAVG: 3089000 19.867 -5.15726 7.87403 -4.49188 -17.0895 34.7836 6.3846 38.5019 -34.0348 TIMING: 3089000 CPU: 9825.77, 0.00312823/step Wall: 9825.77, 0.00312823/step, 1.66057 hours remaining, 234.121094 MB of memory in use. ENERGY: 3089000 3971.4918 20418.5446 14475.7361 229.3111 -203220.8913 2571.4633 0.0000 0.0000 52060.8520 -109493.4924 299.1944 -161554.3444 -109131.9130 299.2282 -32.8788 -2.0097 760064.9116 -10.6310 -10.4191 PRESSURE: 3089200 360.715 139.398 -241.827 139.398 -198.663 37.3153 -241.827 37.3143 -28.7832 GPRESSURE: 3089200 254.673 27.3274 -264.333 138.86 -60.0094 20.6359 -210.383 114.139 29.5312 PRESSAVG: 3089200 -35.8883 -12.146 -25.1079 -12.146 -4.07933 4.88912 -25.1079 4.88909 28.4966 GPRESSAVG: 3089200 -36.4458 -14.1057 -25.7027 -11.0115 -2.90396 5.69831 -23.8562 4.20142 27.8489 TIMING: 3089200 CPU: 9826.4, 0.0031305/step Wall: 9826.4, 0.0031305/step, 1.6616 hours remaining, 234.121094 MB of memory in use. ENERGY: 3089200 3994.2269 20445.5047 14450.2274 242.9849 -203091.6450 2379.3935 0.0000 0.0000 52066.5818 -109512.7257 299.2274 -161579.3075 -109136.6320 299.3792 44.4228 74.7316 760609.0404 -3.8237 -3.8336 PRESSURE: 3089400 -131.964 -27.6369 31.7569 -27.6365 341.281 206.009 31.7559 206.008 -152.422 GPRESSURE: 3089400 -66.1515 120.475 61.3701 -48.3336 359.506 243.768 21.6337 210.158 -144.622 PRESSAVG: 3089400 -11.9498 -0.778444 -68.3728 -0.778454 2.07186 4.29116 -68.3727 4.29119 11.4819 GPRESSAVG: 3089400 -10.4993 1.85036 -68.0183 -1.69577 -0.330326 5.38365 -68.8305 3.46273 12.2758 TIMING: 3089400 CPU: 9827.02, 0.00311144/step Wall: 9827.02, 0.00311144/step, 1.65131 hours remaining, 234.121094 MB of memory in use. ENERGY: 3089400 3998.4984 20506.3678 14496.5720 253.2716 -203485.8907 2741.0589 0.0000 0.0000 52119.7276 -109370.3944 299.5328 -161490.1220 -109006.9273 299.2960 18.9652 49.5773 761511.5309 0.5346 0.4821 PRESSURE: 3089600 -274.863 246.061 -201.174 246.061 41.7178 128.761 -201.174 128.761 7.89919 GPRESSURE: 3089600 -220.097 200.375 -143.582 253.188 58.977 176.127 -197.316 18.5697 31.8259 PRESSAVG: 3089600 4.2943 22.2224 -47.9504 22.2224 -2.61817 31.966 -47.9504 31.966 2.35483 GPRESSAVG: 3089600 4.83859 21.1101 -46.8305 23.0778 -1.76911 30.7562 -49.4144 33.4525 1.25199 TIMING: 3089600 CPU: 9827.64, 0.00311805/step Wall: 9827.64, 0.00311805/step, 1.65465 hours remaining, 234.121094 MB of memory in use. ENERGY: 3089600 4010.3815 20591.2155 14421.6624 251.7595 -203389.8565 2418.6027 0.0000 0.0000 52286.6622 -109409.5727 300.4922 -161696.2349 -109050.5457 299.6904 -75.0821 -43.0982 762673.3061 1.3437 1.4405 PRESSURE: 3089800 153.997 -38.3254 -347.723 -38.3255 -17.8276 1.16147 -347.723 1.16041 -343.717 GPRESSURE: 3089800 104.815 47.44 -379.434 -59.5383 96.0844 23.5033 -195.102 157.73 -309.682 PRESSAVG: 3089800 4.48922 -20.3589 -38.3021 -20.3589 -21.9514 12.4567 -38.3022 12.4568 0.0391014 GPRESSAVG: 3089800 5.23066 -21.5059 -36.9661 -22.0128 -23.5935 13.4289 -37.7922 10.4114 0.868517 TIMING: 3089800 CPU: 9828.26, 0.0031095/step Wall: 9828.26, 0.0031095/step, 1.64994 hours remaining, 234.121094 MB of memory in use. ENERGY: 3089800 4021.4816 20359.7789 14473.7936 248.0666 -203903.3277 2733.6701 0.0000 0.0000 52575.3600 -109491.1770 302.1513 -162066.5370 -109117.9782 299.5862 -69.1825 -36.2606 762134.5322 -5.8077 -5.8314 PRESSURE: 3090000 59.9305 -108.062 119.505 -108.062 287.008 -64.1272 119.504 -64.1274 -185.207 GPRESSURE: 3090000 71.0643 5.97188 60.7011 -88.5272 345.184 -106.517 118.393 -237.957 -184.072 PRESSAVG: 3090000 34.6617 4.15633 -75.5772 4.1563 7.10922 -5.41012 -75.5772 -5.41018 12.6272 GPRESSAVG: 3090000 33.3321 7.07297 -77.3651 6.68027 9.28827 -4.64451 -74.7236 -7.62936 11.8738 TIMING: 3090000 CPU: 9828.89, 0.00312506/step Wall: 9828.89, 0.00312506/step, 1.65802 hours remaining, 234.121094 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: 3090000 4011.2371 20379.0209 14486.7786 233.0035 -203344.0792 2672.5705 0.0000 0.0000 52106.7174 -109454.7511 299.4580 -161561.4686 -109086.7860 299.2507 53.9106 77.3920 762429.1882 18.1327 18.1647 PRESSURE: 3090200 -8.59925 -38.7322 -56.3775 -38.7328 -60.9391 -144.443 -56.3779 -144.444 12.4811 GPRESSURE: 3090200 -2.10857 -56.2519 -73.3325 -10.4385 -32.5459 -13.635 0.549214 -72.4602 54.6116 PRESSAVG: 3090200 42.0707 11.6694 -32.0127 11.6694 -73.1763 3.20451 -32.0127 3.20437 -6.5238 GPRESSAVG: 3090200 42.9434 8.3623 -31.0624 11.4249 -74.1262 2.56947 -33.9331 5.56171 -6.64289 TIMING: 3090200 CPU: 9829.51, 0.00312271/step Wall: 9829.51, 0.00312271/step, 1.6566 hours remaining, 234.121094 MB of memory in use. ENERGY: 3090200 4009.1031 20369.2853 14446.1007 238.6998 -203229.9211 2629.5792 0.0000 0.0000 51820.0154 -109717.1377 297.8103 -161537.1531 -109355.9315 298.8893 -19.0191 6.6524 761662.6595 -12.5431 -12.6085 PRESSURE: 3090400 -294.36 36.9804 -31.0764 36.98 -455.948 62.7718 -31.0769 62.7734 -160.761 GPRESSURE: 3090400 -232.364 -7.67685 22.6859 65.7445 -424.718 56.3731 -65.0933 160.624 -155.206 PRESSAVG: 3090400 6.61299 12.5749 -0.0854539 12.5749 -14.6721 3.40967 -0.0854649 3.40967 11.7932 GPRESSAVG: 3090400 5.04888 14.3307 -0.295318 11.8946 -15.2356 4.84404 1.54215 2.92959 13.5119 TIMING: 3090400 CPU: 9830.14, 0.00313549/step Wall: 9830.14, 0.00313549/step, 1.6632 hours remaining, 234.121094 MB of memory in use. ENERGY: 3090400 3956.8784 20553.6101 14310.2300 217.0934 -203122.8188 2323.2945 0.0000 0.0000 52081.0217 -109680.6908 299.3103 -161761.7124 -109326.3743 298.6504 -303.6897 -270.7628 761775.6219 1.2447 1.1084 PRESSURE: 3090600 -62.639 -39.794 -118.049 -39.7944 -55.8503 8.12255 -118.049 8.12226 -178.365 GPRESSURE: 3090600 -136.772 -93.2629 -50.2505 -16.7495 100.348 9.41232 -18.4935 16.4067 -174.564 PRESSAVG: 3090600 14.6325 -40.741 56.1315 -40.7411 4.22851 -56.64 56.1315 -56.6401 -14.2619 GPRESSAVG: 3090600 14.307 -39.9461 54.3444 -43.8743 5.56137 -58.3797 57.2842 -56.436 -14.93 TIMING: 3090600 CPU: 9830.76, 0.00312011/step Wall: 9830.76, 0.00312011/step, 1.65487 hours remaining, 234.121094 MB of memory in use. ENERGY: 3090600 3975.1583 20415.1602 14443.7083 251.0595 -203168.5603 2428.0900 0.0000 0.0000 51982.5224 -109672.8616 298.7443 -161655.3840 -109319.2818 299.0202 -98.9514 -70.3291 762992.7969 1.5330 1.6461 PRESSURE: 3090800 -205.892 104.767 -184.128 104.766 3.73398 9.01339 -184.128 9.01455 -265.628 GPRESSURE: 3090800 -201.491 138.893 -132.449 54.1861 -0.412346 19.6322 -114.335 47.4923 -177.934 PRESSAVG: 3090800 -50.1401 -25.3006 -43.9978 -25.3006 18.7478 32.109 -43.9977 32.109 -4.39114 GPRESSAVG: 3090800 -49.8788 -25.7116 -41.8472 -23.7872 17.7394 32.262 -45.9193 31.4244 -3.73792 TIMING: 3090800 CPU: 9831.39, 0.00312287/step Wall: 9831.39, 0.00312287/step, 1.65616 hours remaining, 234.121094 MB of memory in use. ENERGY: 3090800 4019.9381 20314.6907 14500.0365 252.1872 -203262.5116 2454.2009 0.0000 0.0000 52056.9046 -109664.5536 299.1717 -161721.4582 -109296.4372 298.7691 -155.9289 -126.6127 763057.3557 -11.9278 -11.9591 PRESSURE: 3091000 -64.4104 -114.711 132.971 -114.71 -90.9367 381.081 132.971 381.08 30.7406 GPRESSURE: 3091000 -44.0257 -91.3463 138.931 -167.788 -84.563 399.785 57.2459 281.543 94.4036 PRESSAVG: 3091000 -21.1597 31.1147 -20.83 31.1147 -15.2855 32.179 -20.8299 32.179 -9.33154 GPRESSAVG: 3091000 -20.9155 31.9899 -20.271 30.1008 -15.2704 31.28 -21.9788 33.8211 -9.72518 TIMING: 3091000 CPU: 9832.02, 0.00315098/step Wall: 9832.02, 0.00315098/step, 1.6709 hours remaining, 234.121094 MB of memory in use. ENERGY: 3091000 4040.0530 20631.5833 14417.1631 273.1697 -203336.6514 2499.5312 0.0000 0.0000 51708.0770 -109767.0741 297.1670 -161475.1511 -109409.8073 298.9755 -41.5355 -11.3951 761770.9897 -15.2589 -15.3037 PRESSURE: 3091200 -694.721 -18.5874 -53.8558 -18.5883 -155.005 210.662 -53.8551 210.662 -227.474 GPRESSURE: 3091200 -559.048 -28.3095 -54.2321 3.88496 -120.332 182.808 -61.7329 291.071 -290.21 PRESSAVG: 3091200 3.82882 8.22279 -30.929 8.22279 -21.9624 72.8759 -30.929 72.876 28.0339 GPRESSAVG: 3091200 5.13225 8.19062 -32.0588 9.77143 -21.9768 74.8126 -30.595 69.722 27.1385 TIMING: 3091200 CPU: 9832.65, 0.00312923/step Wall: 9832.65, 0.00312923/step, 1.65919 hours remaining, 234.121094 MB of memory in use. ENERGY: 3091200 4101.1587 20524.6840 14447.9495 246.5722 -203211.4936 2292.3055 0.0000 0.0000 51775.3157 -109823.5081 297.5535 -161598.8238 -109479.1714 298.6906 -359.0666 -323.1968 760637.7162 3.3001 3.4313 PRESSURE: 3091400 309.812 -44.7897 -84.6934 -44.7897 84.5213 -94.0944 -84.6936 -94.0948 -4.71217 GPRESSURE: 3091400 343.351 -91.0708 -101.127 -6.07612 147.327 -136.14 -26.9618 -62.3702 -13.7462 PRESSAVG: 3091400 -28.9696 5.56047 -24.8117 5.56048 10.4645 44.4333 -24.8117 44.4334 0.742582 GPRESSAVG: 3091400 -29.6136 4.21103 -25.311 5.16493 10.5569 43.6765 -24.1402 45.8941 1.20153 TIMING: 3091400 CPU: 9833.27, 0.00312145/step Wall: 9833.27, 0.00312145/step, 1.65489 hours remaining, 234.121094 MB of memory in use. ENERGY: 3091400 3967.0251 20589.5011 14421.8793 266.3879 -204113.5074 3047.2072 0.0000 0.0000 52047.4692 -109774.0376 299.1175 -161821.5069 -109416.6796 298.5391 129.8737 158.9773 759522.2083 -5.9208 -5.9517 PRESSURE: 3091600 358.971 90.7863 151.81 90.7851 -55.3282 77.0743 151.81 77.0758 -37.3011 GPRESSURE: 3091600 384.989 4.57866 134.781 97.0583 -21.872 -10.8745 116.765 -62.3541 -19.448 PRESSAVG: 3091600 -49.7263 -44.7825 -9.21944 -44.7825 24.1222 20.4408 -9.21941 20.4408 -3.95575 GPRESSAVG: 3091600 -50.6193 -45.6464 -10.9305 -43.0708 23.8833 19.3716 -7.07868 21.2602 -3.0121 TIMING: 3091600 CPU: 9833.89, 0.00311394/step Wall: 9833.89, 0.00311394/step, 1.65074 hours remaining, 234.121094 MB of memory in use. ENERGY: 3091600 3948.5930 20567.2544 14364.6736 252.1721 -203563.8526 2528.2654 0.0000 0.0000 52203.8908 -109699.0032 300.0165 -161902.8940 -109331.7991 298.7228 88.7806 114.5565 759560.6414 -9.8533 -9.9160 PRESSURE: 3091800 -136.337 -51.6951 -17.2022 -51.6953 79.7137 -18.312 -17.2022 -18.3113 -246.243 GPRESSURE: 3091800 -144.203 -119.166 -66.562 103.513 119.199 -41.3222 86.7903 -5.84059 -212.395 PRESSAVG: 3091800 -6.40414 15.6099 -34.2017 15.61 7.93853 9.09509 -34.2017 9.09509 7.98544 GPRESSAVG: 3091800 -6.0668 18.5327 -32.331 15.7426 8.97016 8.81757 -36.1435 8.83039 6.90643 TIMING: 3091800 CPU: 9834.52, 0.00312061/step Wall: 9834.52, 0.00312061/step, 1.6541 hours remaining, 234.121094 MB of memory in use. ENERGY: 3091800 4024.8535 20575.0980 14542.1231 253.6202 -203461.0926 2418.7550 0.0000 0.0000 52047.8090 -109598.8338 299.1195 -161646.6428 -109231.8672 298.8503 -100.9554 -79.1329 759777.3028 3.1733 3.2699 PRESSURE: 3092000 -95.8567 -28.7558 -52.1804 -28.7551 -215.816 52.2885 -52.181 52.2882 -210.017 GPRESSURE: 3092000 -112.973 -157.89 -168.972 -50.3341 -146.073 149.731 -119.203 -20.148 -167.493 PRESSAVG: 3092000 -25.409 -7.60632 -14.5643 -7.60639 -16.7967 5.88662 -14.5643 5.88663 -9.90014 GPRESSAVG: 3092000 -24.7617 -10.0916 -15.536 -7.97389 -17.5281 7.03419 -14.887 4.88695 -9.45875 TIMING: 3092000 CPU: 9835.14, 0.0031265/step Wall: 9835.14, 0.0031265/step, 1.65705 hours remaining, 234.121094 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: 3092000 4020.8034 20515.5425 14453.3639 248.3433 -203402.7820 2404.2040 0.0000 0.0000 52092.7079 -109667.8172 299.3775 -161760.5251 -109300.3022 298.9062 -173.8968 -142.1794 760816.5020 -17.3686 -17.2495 PRESSURE: 3092200 124.86 -168.904 -201.49 -168.904 -262.166 -244.332 -201.491 -244.33 -1.46988 GPRESSURE: 3092200 105.43 -112.137 -205.209 -81.8817 -217.727 -206.681 -224.547 -242.639 75.6106 PRESSAVG: 3092200 3.3848 11.613 10.2265 11.6131 -3.09136 -37.089 10.2265 -37.089 18.6367 GPRESSAVG: 3092200 3.01796 14.2986 11.1144 10.9483 -2.84994 -38.2433 11.6574 -35.4251 18.3297 TIMING: 3092200 CPU: 9835.77, 0.00313028/step Wall: 9835.77, 0.00313028/step, 1.65887 hours remaining, 234.121094 MB of memory in use. ENERGY: 3092200 4040.3241 20628.3423 14474.7088 241.9990 -203530.1776 2565.0700 0.0000 0.0000 51929.6930 -109650.0405 298.4407 -161579.7335 -109288.2438 299.1276 -46.2585 -12.2286 760535.9021 6.3101 6.1659 LDB: ============= START OF LOAD BALANCING ============== 9848.19 LDB: ============== END OF LOAD BALANCING =============== 9848.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9848.19 LDB: ============= START OF LOAD BALANCING ============== 9848.5 LDB: Largest compute 7064 load 0.029449 is 15.1% of average load 0.195602 LDB: Average compute 0.004371 is 2.2% of average load 0.195602 LDB: TIME 9848.5 LOAD: AVG 0.195602 MAX 0.217303 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.922 MB LDB: TIME 9848.5 LOAD: AVG 0.195602 MAX 0.217303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: TIME 9848.5 LOAD: AVG 0.195602 MAX 0.217303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: ============== END OF LOAD BALANCING =============== 9848.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9848.51 PRESSURE: 3092400 -231.368 -63.5676 -18.8881 -63.5672 -134.626 124.709 -18.8875 124.709 -253.105 GPRESSURE: 3092400 -168.545 -181.102 -22.4181 -118.14 -107.399 109.743 -3.97453 99.2978 -246.716 PRESSAVG: 3092400 -10.3853 -4.85419 -25.3543 -4.85418 5.50195 -5.21624 -25.3543 -5.21628 15.9116 GPRESSAVG: 3092400 -10.5929 -6.24992 -24.7507 -5.53614 4.73567 -4.26285 -28.1767 -5.7156 16.3677 TIMING: 3092400 CPU: 9836.41, 0.00318779/step Wall: 9836.41, 0.00318779/step, 1.68917 hours remaining, 234.449219 MB of memory in use. ENERGY: 3092400 3935.2211 20537.2815 14460.8287 255.0023 -203427.7723 2543.1962 0.0000 0.0000 51980.2037 -109716.0389 298.7309 -161696.2426 -109359.2128 299.1143 -206.3664 -174.2201 761500.7619 3.6761 3.5035 PRESSURE: 3092600 -169.012 -100.088 69.7039 -100.088 -117.215 -126.283 69.7037 -126.283 -61.2044 GPRESSURE: 3092600 -96.14 -37.5968 74.6177 -79.9059 -136.798 -222.641 41.4246 -144.082 -42.4466 PRESSAVG: 3092600 22.7691 15.3218 -38.4885 15.3219 -14.2011 -45.1146 -38.4884 -45.1146 -17.2014 GPRESSAVG: 3092600 22.1683 16.3895 -40.4608 15.2882 -12.7793 -46.2422 -36.0204 -44.6471 -17.1548 TIMING: 3092600 CPU: 9837.03, 0.00313268/step Wall: 9837.03, 0.00313268/step, 1.6598 hours remaining, 234.648438 MB of memory in use. ENERGY: 3092600 3977.3834 20377.5683 14444.2560 250.7198 -203324.3259 2642.9104 0.0000 0.0000 52029.8989 -109601.5890 299.0165 -161631.4879 -109233.9448 299.0180 -115.8104 -91.7948 761424.3999 -2.8778 -2.5886 PRESSURE: 3092800 54.005 100.68 34.801 100.68 305.115 -230.864 34.8019 -230.864 -369.265 GPRESSURE: 3092800 125.541 83.0102 42.7885 151.032 259.717 -171.704 -6.27427 -270.892 -309.444 PRESSAVG: 3092800 4.80922 50.6083 6.9556 50.6082 0.146994 -26.6708 6.95557 -26.6708 28.0816 GPRESSAVG: 3092800 7.06219 49.7291 8.29121 51.4012 -1.30858 -26.6062 3.40177 -26.9151 27.616 TIMING: 3092800 CPU: 9837.66, 0.00313538/step Wall: 9837.66, 0.00313538/step, 1.66105 hours remaining, 234.718750 MB of memory in use. ENERGY: 3092800 4018.3747 20559.2632 14406.4719 229.0104 -203214.2602 2493.2699 0.0000 0.0000 51995.7749 -109512.0951 298.8204 -161507.8700 -109172.6420 298.8409 -3.3817 25.2716 761369.1046 11.0126 11.1232 PRESSURE: 3093000 -186.916 23.6557 -6.86596 23.6545 -338.796 165.675 -6.86627 165.676 -322.464 GPRESSURE: 3093000 -158.422 103.261 -27.989 61.4891 -244.866 172.62 -28.409 163.54 -373.294 PRESSAVG: 3093000 -25.7704 45.6856 42.9477 45.6856 24.1551 -0.231809 42.9477 -0.231849 11.2022 GPRESSAVG: 3093000 -25.7476 46.7655 42.3015 43.7453 25.9139 -1.11466 44.8336 0.141886 10.035 TIMING: 3093000 CPU: 9838.29, 0.00313414/step Wall: 9838.29, 0.00313414/step, 1.66022 hours remaining, 234.718750 MB of memory in use. ENERGY: 3093000 3993.2566 20512.7526 14479.1374 257.7364 -203278.8852 2399.0095 0.0000 0.0000 52223.8416 -109413.1509 300.1311 -161636.9926 -109053.3471 299.5929 -282.7254 -258.8603 762301.1402 3.1956 3.4004 PRESSURE: 3093200 104.652 79.0604 -129.961 79.0617 28.0051 17.5578 -129.96 17.5576 293.088 GPRESSURE: 3093200 190.264 50.7968 -110.926 44.7176 -82.1617 86.6647 -36.9844 22.3753 400.894 PRESSAVG: 3093200 17.1353 4.58118 50.0716 4.58118 -8.54551 11.0815 50.0717 11.0815 -10.458 GPRESSAVG: 3093200 15.1918 4.26122 51.0665 7.12673 -9.08458 12.2071 50.5922 10.2905 -7.89622 TIMING: 3093200 CPU: 9838.91, 0.00312534/step Wall: 9838.91, 0.00312534/step, 1.65539 hours remaining, 234.718750 MB of memory in use. ENERGY: 3093200 4016.3470 20732.3839 14468.0483 243.3800 -203417.9609 2707.6569 0.0000 0.0000 52210.5165 -109039.6284 300.0546 -161250.1448 -108679.8937 300.2428 141.9150 169.6657 761722.5214 -0.6227 -0.5963 PRESSURE: 3093400 -64.8282 -161.784 174.332 -161.784 52.4738 -43.6435 174.332 -43.6433 406.446 GPRESSURE: 3093400 43.5189 -263.538 171.859 -87.0853 38.0279 15.5108 107.61 -116.397 394.131 PRESSAVG: 3093400 -42.5784 24.0005 68.7428 24.0005 40.0991 23.4286 68.7428 23.4287 2.43136 GPRESSAVG: 3093400 -41.9018 24.1184 68.5987 23.9529 40.3841 23.5726 69.4225 23.0944 1.36658 TIMING: 3093400 CPU: 9839.54, 0.00312229/step Wall: 9839.54, 0.00312229/step, 1.6536 hours remaining, 234.718750 MB of memory in use. ENERGY: 3093400 4013.1820 20495.3594 14465.1085 250.9482 -202978.3196 2166.8683 0.0000 0.0000 52300.8311 -109286.0221 300.5736 -161586.8533 -108929.1339 300.4270 131.3638 158.5592 762034.2639 -0.0160 -0.0504 PRESSURE: 3093600 -278.539 25.8058 -89.7352 25.8053 -361.689 -114.731 -89.7361 -114.731 -516.026 GPRESSURE: 3093600 -247.74 146.985 -105.396 -95.6367 -277.727 -160.68 -95.1267 -154.959 -523.014 PRESSAVG: 3093600 15.6186 -23.8397 17.9847 -23.8397 9.4594 -14.7518 17.9847 -14.7518 -21.2036 GPRESSAVG: 3093600 15.7994 -24.9121 17.4409 -24.0697 10.0658 -17.2532 16.5503 -11.5205 -21.9681 TIMING: 3093600 CPU: 9840.16, 0.00312124/step Wall: 9840.16, 0.00312124/step, 1.65287 hours remaining, 234.718750 MB of memory in use. ENERGY: 3093600 4000.2353 20422.5463 14497.4294 253.0254 -202996.8261 2190.9842 0.0000 0.0000 52178.6455 -109453.9601 299.8714 -161632.6056 -109081.8063 299.3626 -385.4177 -349.4938 762054.5424 1.2915 1.2990 PRESSURE: 3093800 -109.334 -190.876 -307.032 -190.876 22.5981 -68.6123 -307.032 -68.6127 80.2492 GPRESSURE: 3093800 22.5595 -80.9488 -261.123 -116.509 -25.95 -121.475 -210.78 34.2803 87.9147 PRESSAVG: 3093800 -0.400997 -80.5989 2.44652 -80.5989 -25.5531 16.8306 2.44656 16.8307 15.6446 GPRESSAVG: 3093800 -0.710648 -77.8561 2.62192 -79.851 -27.565 17.6373 1.97922 13.7134 17.1597 TIMING: 3093800 CPU: 9840.78, 0.00312155/step Wall: 9840.78, 0.00312155/step, 1.65286 hours remaining, 234.718750 MB of memory in use. ENERGY: 3093800 4026.6197 20484.7436 14496.1462 243.4776 -203725.0757 2682.2789 0.0000 0.0000 52199.5892 -109592.2205 299.9918 -161791.8097 -109228.7478 299.3427 -2.1624 28.1747 760753.4313 -3.4365 -3.7053 PRESSURE: 3094000 376.241 67.6413 -148.982 67.6406 177.933 230.238 -148.982 230.237 617.36 GPRESSURE: 3094000 336.339 102.064 -91.9397 121.073 299.113 296.078 -229.019 65.7737 616.387 PRESSAVG: 3094000 26.1335 -26.4996 27.063 -26.4996 -30.14 6.73737 27.063 6.73737 12.6382 GPRESSAVG: 3094000 24.4486 -29.8852 25.5744 -27.0667 -28.8287 7.83748 28.2769 7.47418 13.2135 TIMING: 3094000 CPU: 9841.41, 0.00312051/step Wall: 9841.41, 0.00312051/step, 1.65214 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3094000 3927.3151 20692.9944 14485.9784 243.4295 -203945.1980 2902.6777 0.0000 0.0000 51937.2469 -109755.5558 298.4841 -161692.8028 -109397.6112 299.2409 390.5114 417.2795 761007.0176 2.8773 2.9445 PRESSURE: 3094200 -451.773 -63.418 -79.7545 -63.4177 -213.534 36.9237 -79.7544 36.9231 429.034 GPRESSURE: 3094200 -375.767 -17.8913 -60.994 -66.8712 -164.143 28.8689 21.0825 -11.2765 407.098 PRESSAVG: 3094200 33.5929 -12.0103 -54.0962 -12.0104 -35.425 33.8574 -54.0961 33.8574 3.88613 GPRESSAVG: 3094200 35.841 -10.2117 -52.545 -13.9535 -35.6503 33.4769 -54.9312 32.6415 2.04205 TIMING: 3094200 CPU: 9842.03, 0.00312864/step Wall: 9842.03, 0.00312864/step, 1.65627 hours remaining, 234.718750 MB of memory in use. ENERGY: 3094200 3998.8025 20363.7798 14433.2058 274.5181 -203752.5824 2691.0111 0.0000 0.0000 52322.0611 -109669.2040 300.6956 -161991.2652 -109312.1162 299.7942 -78.7579 -44.2705 760177.7122 0.6847 0.7442 PRESSURE: 3094400 525.084 -57.74 63.4918 -57.741 196.027 31.2535 63.4915 31.253 298.377 GPRESSURE: 3094400 633.603 -80.2835 34.9616 25.0767 230.327 119.512 21.8914 29.0211 248.531 PRESSAVG: 3094400 -0.27437 -68.2703 1.92475 -68.2703 -23.1586 -24.8361 1.92467 -24.8361 -4.41321 GPRESSAVG: 3094400 0.440133 -69.0431 2.70785 -65.5491 -23.0817 -24.271 2.96106 -24.2162 -5.06602 TIMING: 3094400 CPU: 9842.66, 0.00313236/step Wall: 9842.66, 0.00313236/step, 1.65806 hours remaining, 234.718750 MB of memory in use. ENERGY: 3094400 3922.0210 20707.0835 14430.9912 242.1004 -203672.0390 2694.3119 0.0000 0.0000 51972.1560 -109703.3751 298.6847 -161675.5311 -109342.7890 299.2426 339.8294 370.8200 760681.1535 -9.2821 -9.2358 PRESSURE: 3094600 -435.101 -258.356 -21.2602 -258.356 -413.547 -129.402 -21.26 -129.402 -7.67273 GPRESSURE: 3094600 -351.747 -148.719 -42.9443 -284.084 -392.473 23.2962 -151.747 -8.1799 -17.3305 PRESSAVG: 3094600 29.7424 -39.0104 39.1719 -39.0105 -3.23573 -33.6253 39.1719 -33.6253 -1.64061 GPRESSAVG: 3094600 28.8995 -39.6187 39.2885 -40.3088 -2.8869 -34.4172 35.3758 -32.8931 -0.927684 TIMING: 3094600 CPU: 9843.29, 0.00313091/step Wall: 9843.29, 0.00313091/step, 1.65712 hours remaining, 234.718750 MB of memory in use. ENERGY: 3094600 3988.8382 20564.9746 14459.6623 248.5232 -203268.4583 2522.4998 0.0000 0.0000 51836.6188 -109647.3414 297.9058 -161483.9603 -109278.3752 298.5722 -285.4402 -253.8500 761790.9979 8.2887 8.3616 PRESSURE: 3094800 -47.1543 -12.7962 75.0074 -12.7955 69.2197 -28.6221 75.007 -28.6228 34.3422 GPRESSURE: 3094800 -74.485 -55.8832 158.045 39.7251 151.843 -121.718 120.771 -17.2331 68.4449 PRESSAVG: 3094800 32.2455 5.45384 13.7051 5.4537 -46.4679 -37.3228 13.7051 -37.3228 -15.7122 GPRESSAVG: 3094800 32.0796 8.37474 11.3355 5.03037 -47.4734 -36.6032 16.7332 -38.0383 -14.9876 TIMING: 3094800 CPU: 9843.91, 0.00311924/step Wall: 9843.91, 0.00311924/step, 1.65077 hours remaining, 234.718750 MB of memory in use. ENERGY: 3094800 3965.5937 20555.9082 14501.6812 256.0576 -202809.7586 2260.3686 0.0000 0.0000 51753.7439 -109516.4053 297.4295 -161270.1492 -109163.3236 298.6790 18.8025 48.6008 761161.4293 -9.9782 -10.1272 PRESSURE: 3095000 -177.536 -6.39494 -69.3965 -6.39503 -191.278 53.4103 -69.3963 53.4107 125.393 GPRESSURE: 3095000 -134.329 -16.1738 -53.1804 45.9501 -106.186 40.1076 -79.1818 82.0545 92.0782 PRESSAVG: 3095000 -7.81198 26.9557 48.3179 26.9557 23.9675 41.3717 48.3179 41.3717 -6.76248 GPRESSAVG: 3095000 -8.00102 25.1967 49.1839 28.1907 23.5101 41.0489 47.9686 39.8391 -6.1595 TIMING: 3095000 CPU: 9844.53, 0.00311981/step Wall: 9844.53, 0.00311982/step, 1.6509 hours remaining, 234.718750 MB of memory in use. ENERGY: 3095000 3988.2903 20549.1983 14464.2105 231.0234 -203212.4334 2456.0878 0.0000 0.0000 51987.8225 -109535.8006 298.7747 -161523.6230 -109170.7919 299.0451 -81.1401 -49.4790 759735.8614 3.1310 3.1165 PRESSURE: 3095200 177.499 -2.10982 138.348 -2.10982 -175.847 35.9304 138.348 35.9311 85.555 GPRESSURE: 3095200 180.663 40.7073 42.049 32.9862 -94.3357 -26.4174 210.208 -89.0261 92.8766 PRESSAVG: 3095200 -61.0269 -1.19532 13.5428 -1.19542 1.09792 19.4503 13.5427 19.4503 5.67116 GPRESSAVG: 3095200 -61.2451 -2.81706 14.068 -2.06906 1.62254 17.5346 12.9942 23.0749 5.40406 TIMING: 3095200 CPU: 9845.16, 0.00312414/step Wall: 9845.16, 0.00312414/step, 1.65302 hours remaining, 234.718750 MB of memory in use. ENERGY: 3095200 4056.9174 20511.7914 14529.2200 242.5299 -203108.7749 2143.8708 0.0000 0.0000 52245.1902 -109379.2551 300.2538 -161624.4454 -109009.8638 298.7817 29.0690 59.7348 760948.4860 -18.0860 -18.0728 PRESSURE: 3095400 -191.167 -92.3151 -210.513 -92.3156 108.418 -53.356 -210.514 -53.3552 406.714 GPRESSURE: 3095400 -146.774 -177.624 -246.669 -24.556 170.51 -73.657 -145.943 -30.2739 394.239 PRESSAVG: 3095400 1.58752 -62.6417 -44.2043 -62.6417 -43.1764 42.7667 -44.2042 42.7667 8.79617 GPRESSAVG: 3095400 2.15132 -62.9873 -42.9403 -60.6934 -42.0292 44.7817 -43.3958 39.8082 7.52168 TIMING: 3095400 CPU: 9845.78, 0.00311125/step Wall: 9845.78, 0.00311125/step, 1.64603 hours remaining, 234.718750 MB of memory in use. ENERGY: 3095400 3939.2558 20489.6866 14495.0740 251.0114 -203313.7141 2499.0917 0.0000 0.0000 52175.2265 -109464.3682 299.8517 -161639.5947 -109102.7508 299.2032 107.9885 139.3249 760644.3790 -10.9309 -10.7854 PRESSURE: 3095600 -118.112 39.5328 69.8171 39.532 -179.754 -178.345 69.8168 -178.345 -42.6675 GPRESSURE: 3095600 -24.3031 85.7919 147.267 37.2918 -264.924 -129.769 31.306 -59.8364 14.2621 PRESSAVG: 3095600 -1.45565 -40.9258 -6.56849 -40.9257 15.018 47.2702 -6.56864 47.2703 8.22141 GPRESSAVG: 3095600 -2.01512 -40.1521 -8.7481 -42.3882 13.6289 46.0037 -7.20925 48.9453 10.0792 TIMING: 3095600 CPU: 9846.41, 0.0031245/step Wall: 9846.41, 0.0031245/step, 1.65286 hours remaining, 234.718750 MB of memory in use. ENERGY: 3095600 4065.0996 20434.6259 14516.2716 235.4401 -203279.7305 2495.4571 0.0000 0.0000 52205.0375 -109327.7987 300.0231 -161532.8361 -108970.1350 299.3859 -113.5111 -91.6551 761335.7602 7.2613 7.2310 PRESSURE: 3095800 -55.6207 29.0232 129.793 29.0229 -85.383 191.977 129.793 191.978 104.973 GPRESSURE: 3095800 -7.71099 -111.41 217.605 -19.1735 39.5508 236.452 54.6373 19.3688 49.2152 PRESSAVG: 3095800 24.4596 -67.0182 -12.942 -67.0182 -3.53145 34.375 -12.942 34.3749 -0.992505 GPRESSAVG: 3095800 25.1749 -67.8452 -12.7941 -68.688 -2.78474 35.5925 -11.58 34.4897 -2.0941 TIMING: 3095800 CPU: 9847.03, 0.00310676/step Wall: 9847.03, 0.00310676/step, 1.6433 hours remaining, 234.703125 MB of memory in use. ENERGY: 3095800 4083.4137 20403.3066 14474.1936 240.3712 -203599.7954 2726.6369 0.0000 0.0000 52425.6413 -109246.2321 301.2909 -161671.8734 -108883.5268 299.9168 -12.0101 27.0183 760188.9266 6.6452 6.7653 PRESSURE: 3096000 -105.791 36.9806 -34.6124 36.9808 216.105 23.2768 -34.6136 23.2762 -463.656 GPRESSURE: 3096000 -105.509 10.1813 -120.867 18.2322 199.842 -5.3249 -127.703 -23.4673 -368.45 PRESSAVG: 3096000 -5.99535 -42.4948 -0.756537 -42.4948 -33.2622 33.5258 -0.756528 33.5257 -3.30652 GPRESSAVG: 3096000 -6.92607 -38.5489 -0.343214 -42.8804 -33.2025 33.2885 -1.0489 33.533 -2.81968 TIMING: 3096000 CPU: 9847.65, 0.00313185/step Wall: 9847.65, 0.00313185/step, 1.6564 hours remaining, 234.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3096000 3954.2078 20539.8316 14481.6891 241.5965 -203300.7329 2594.3387 0.0000 0.0000 52219.5218 -109269.5473 300.1063 -161489.0691 -108913.9072 300.1073 -117.7810 -91.3723 760825.9564 -14.1880 -14.3161 PRESSURE: 3096200 745.443 -31.9863 -61.096 -31.9872 34.32 261.167 -61.0956 261.167 33.0454 GPRESSURE: 3096200 729.93 -115.953 22.6971 106.446 129.091 259.047 -160.265 251.038 25.9511 PRESSAVG: 3096200 47.0135 -33.4169 -50.7301 -33.417 -10.8925 90.3404 -50.7301 90.3405 2.43245 GPRESSAVG: 3096200 47.0096 -36.4665 -51.4649 -32.7853 -10.3174 90.1172 -50.1792 89.0842 1.39672 TIMING: 3096200 CPU: 9848.28, 0.00311958/step Wall: 9848.28, 0.00311958/step, 1.64974 hours remaining, 234.718750 MB of memory in use. ENERGY: 3096200 3989.9213 20542.5698 14588.3550 259.9699 -203201.0017 2646.6465 0.0000 0.0000 52031.8025 -109141.7366 299.0275 -161173.5391 -108779.6363 300.0352 270.9360 294.9905 760861.6759 12.8511 12.6963 LDB: ============= START OF LOAD BALANCING ============== 9860.7 LDB: ============== END OF LOAD BALANCING =============== 9860.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9860.7 LDB: ============= START OF LOAD BALANCING ============== 9861.01 LDB: Largest compute 7036 load 0.029521 is 15.1% of average load 0.195480 LDB: Average compute 0.004382 is 2.2% of average load 0.195480 LDB: TIME 9861.01 LOAD: AVG 0.19548 MAX 0.217564 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 9861.01 LOAD: AVG 0.19548 MAX 0.217564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.266 MB LDB: TIME 9861.02 LOAD: AVG 0.19548 MAX 0.217564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.266 MB LDB: ============== END OF LOAD BALANCING =============== 9861.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9861.02 PRESSURE: 3096400 46.1961 -46.2519 17.0241 -46.2518 253.111 -52.5414 17.0241 -52.5407 -281.599 GPRESSURE: 3096400 55.5707 -127.411 16.0302 -150.797 274.328 -147.777 -108.925 -17.0668 -212.445 PRESSAVG: 3096400 30.9566 7.63211 -47.0903 7.63216 1.8194 4.43919 -47.0903 4.43919 0.442186 GPRESSAVG: 3096400 31.7711 6.98995 -44.8384 8.41325 0.560618 3.97353 -48.2937 3.52425 1.24666 TIMING: 3096400 CPU: 9848.92, 0.00319211/step Wall: 9848.92, 0.00319211/step, 1.68792 hours remaining, 232.640625 MB of memory in use. ENERGY: 3096400 3897.1988 20678.9907 14506.4151 241.2232 -202984.6996 2551.9993 0.0000 0.0000 52278.7819 -108830.0906 300.4469 -161108.8725 -108478.3804 300.2439 5.9029 39.1514 761622.0271 11.0727 11.1928 PRESSURE: 3096600 59.7693 -122.076 28.4222 -122.076 44.2247 -107.784 28.4223 -107.784 -535.651 GPRESSURE: 3096600 26.1667 30.8447 -107.464 -100.738 76.3882 10.9762 18.6527 -83.0061 -426.692 PRESSAVG: 3096600 -3.80349 -32.412 -2.88333 -32.4119 13.7197 18.5933 -2.88337 18.5934 -9.53374 GPRESSAVG: 3096600 -3.84395 -31.0506 -4.51383 -33.2237 13.0976 20.7585 -1.98652 18.0347 -9.43144 TIMING: 3096600 CPU: 9849.54, 0.00313339/step Wall: 9849.54, 0.00313339/step, 1.65669 hours remaining, 233.042969 MB of memory in use. ENERGY: 3096600 4025.3712 20398.9279 14537.8118 252.6140 -202645.3900 2151.3819 0.0000 0.0000 52292.4744 -108986.8088 300.5256 -161279.2832 -108614.0250 300.8098 -143.8858 -108.0457 761992.8759 0.1275 -0.0593 PRESSURE: 3096800 87.5157 -49.8155 -6.03552 -49.8171 -2.09657 61.5503 -6.03611 61.5494 -502.815 GPRESSURE: 3096800 141.971 -76.9577 -8.43321 -28.2457 40.8555 8.15468 -3.80423 79.5033 -504.457 PRESSAVG: 3096800 -11.833 -28.3079 45.7797 -28.3079 19.8339 41.172 45.7797 41.172 -1.91185 GPRESSAVG: 3096800 -11.907 -26.8642 44.5947 -28.6855 20.8356 39.9538 45.3755 42.9805 -1.93537 TIMING: 3096800 CPU: 9850.17, 0.00312597/step Wall: 9850.17, 0.00312597/step, 1.65259 hours remaining, 233.042969 MB of memory in use. ENERGY: 3096800 4048.2107 20456.3955 14497.5898 254.7168 -203510.4680 2838.7452 0.0000 0.0000 52306.0297 -109108.7803 300.6035 -161414.8100 -108756.1284 300.5760 -139.1321 -107.2100 761859.8897 2.0297 2.3311 PRESSURE: 3097000 -38.6959 113.073 0.70437 113.073 -206.467 90.3621 0.704544 90.3611 -464.288 GPRESSURE: 3097000 -42.195 34.3343 -21.4254 203.562 -133.161 214.249 -12.8496 7.14167 -453.279 PRESSAVG: 3097000 -20.4824 -17.4859 -36.0869 -17.4859 10.5622 -33.4977 -36.087 -33.4977 -10.8295 GPRESSAVG: 3097000 -19.7353 -17.9036 -36.1162 -15.5089 10.062 -33.1709 -33.9548 -33.5261 -10.8146 TIMING: 3097000 CPU: 9850.79, 0.00312953/step Wall: 9850.79, 0.00312953/step, 1.6543 hours remaining, 233.042969 MB of memory in use. ENERGY: 3097000 3974.3607 20477.8210 14576.3138 239.6534 -202648.4207 2274.1458 0.0000 0.0000 52083.4167 -109022.7094 299.3241 -161106.1261 -108656.4182 299.9912 -236.4835 -209.5451 762931.5089 -6.9166 -6.8293 PRESSURE: 3097200 -153.884 -13.567 -190.134 -13.566 -150.821 -72.8501 -190.135 -72.8511 -464.766 GPRESSURE: 3097200 -174.411 31.9436 -164.739 89.3185 -60.7718 -41.2691 -203.687 4.22355 -465.545 PRESSAVG: 3097200 27.2159 17.0203 13.6995 17.0202 3.93056 -48.2937 13.6995 -48.2936 11.2737 GPRESSAVG: 3097200 25.2464 16.2889 14.1475 16.2669 5.70142 -49.4185 12.6246 -48.9639 11.2108 TIMING: 3097200 CPU: 9851.42, 0.00312282/step Wall: 9851.42, 0.00312282/step, 1.65058 hours remaining, 233.113281 MB of memory in use. ENERGY: 3097200 4052.0558 20657.3669 14472.8013 256.7046 -202992.2270 2334.0684 0.0000 0.0000 52302.9424 -108916.2877 300.5857 -161219.2301 -108551.8958 299.9596 -256.4902 -233.5757 761632.4934 14.1401 14.0529 PRESSURE: 3097400 503.133 72.6207 161.361 72.6219 152.53 245.467 161.36 245.467 85.46 GPRESSURE: 3097400 468.654 62.3335 167.112 38.815 242.774 147.511 253.665 228.06 112.036 PRESSAVG: 3097400 -24.9824 -31.544 6.64544 -31.5441 12.6925 -9.31176 6.64542 -9.31176 3.81534 GPRESSAVG: 3097400 -25.22 -33.6757 8.77772 -32.8474 11.6383 -9.7903 5.29138 -8.07663 4.76921 TIMING: 3097400 CPU: 9852.04, 0.00311584/step Wall: 9852.04, 0.00311584/step, 1.64672 hours remaining, 233.113281 MB of memory in use. ENERGY: 3097400 3971.5470 20609.6216 14537.9295 247.5938 -203380.8382 2805.5135 0.0000 0.0000 52373.9887 -108834.6441 300.9940 -161208.6328 -108473.9518 300.5036 247.0411 274.4882 759206.0326 -2.8248 -2.9375 PRESSURE: 3097600 147.736 102.211 -191.793 102.211 -53.8672 -296.828 -191.792 -296.829 -202.317 GPRESSURE: 3097600 132.698 41.8109 -82.6856 80.261 -17.8155 -279.241 -228.097 -263.64 -139.286 PRESSAVG: 3097600 -5.13087 35.0756 -26.393 35.0756 -2.06588 -17.6666 -26.3929 -17.6666 26.393 GPRESSAVG: 3097600 -4.41353 35.0864 -27.7451 36.7521 -1.19929 -16.5384 -26.6048 -18.3144 25.23 TIMING: 3097600 CPU: 9852.67, 0.00313713/step Wall: 9852.67, 0.00313713/step, 1.6578 hours remaining, 233.113281 MB of memory in use. ENERGY: 3097600 3970.7250 20615.5247 14523.7636 239.2407 -202749.7541 2228.5342 0.0000 0.0000 52430.9434 -108741.0224 301.3214 -161171.9659 -108382.1078 300.6237 -36.1496 -8.1343 760142.5212 6.3987 6.5391 PRESSURE: 3097800 116.234 -71.9354 -198.392 -71.9353 -205.858 -57.2394 -198.392 -57.2393 -582.806 GPRESSURE: 3097800 169.669 -273.986 -139.793 -41.7475 -161.445 -31.4255 -127.248 -65.5485 -585.565 PRESSAVG: 3097800 20.8571 10.8748 -82.7363 10.8748 -41.1719 -6.24443 -82.7363 -6.24443 11.3151 GPRESSAVG: 3097800 20.924 10.888 -81.652 11.4684 -41.7855 -7.33329 -80.9988 -5.18505 12.1169 TIMING: 3097800 CPU: 9853.3, 0.00313814/step Wall: 9853.3, 0.00313814/step, 1.65816 hours remaining, 233.113281 MB of memory in use. ENERGY: 3097800 4081.3694 20621.9628 14447.3201 251.6725 -202934.7723 2291.5062 0.0000 0.0000 52459.1138 -108781.8275 301.4832 -161240.9413 -108423.5556 300.7209 -224.1435 -192.4471 759802.1984 -2.9999 -2.9148 PRESSURE: 3098000 193.92 -95.8902 55.1876 -95.8906 283.33 26.3115 55.1869 26.313 -138.775 GPRESSURE: 3098000 250.069 -133.451 4.89546 -75.5381 276.256 35.855 65.8042 88.3363 -120.835 PRESSAVG: 3098000 -25.5977 13.8878 -12.3419 13.8878 -5.17605 16.5905 -12.3419 16.5905 24.4819 GPRESSAVG: 3098000 -25.4747 13.4063 -14.259 13.4578 -5.68572 17.5304 -13.3359 15.5657 24.4093 TIMING: 3098000 CPU: 9853.92, 0.00312615/step Wall: 9853.92, 0.00312615/step, 1.65165 hours remaining, 233.113281 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: 3098000 4099.3794 20652.0175 14463.8242 239.0462 -202680.8910 2368.6397 0.0000 0.0000 52103.9986 -108753.9854 299.4424 -160857.9840 -108395.3541 301.0441 112.8249 135.1630 759257.0228 -2.0973 -2.2504 PRESSURE: 3098200 -66.0406 61.8568 -36.6415 61.8567 -352.774 100.62 -36.6422 100.619 -316.886 GPRESSURE: 3098200 -120.421 115.682 -94.0784 3.03161 -310.381 83.9133 -58.9885 25.5839 -241.034 PRESSAVG: 3098200 -14.9378 18.7138 -17.6946 18.7138 31.8609 26.0399 -17.6946 26.0399 19.2803 GPRESSAVG: 3098200 -15.4153 21.5602 -14.5414 17.0307 32.7236 25.1597 -17.5256 25.7793 18.9435 TIMING: 3098200 CPU: 9854.55, 0.00313126/step Wall: 9854.55, 0.00313126/step, 1.65417 hours remaining, 233.113281 MB of memory in use. ENERGY: 3098200 4038.5355 20658.9248 14506.2499 247.8404 -202939.9163 2316.7877 0.0000 0.0000 52217.7066 -108953.8712 300.0959 -161171.5778 -108584.2980 300.6848 -245.2333 -223.9455 760077.4299 12.0678 12.0839 PRESSURE: 3098400 -164.973 -169.49 -74.6261 -169.49 20.4636 4.43959 -74.626 4.4385 -371.249 GPRESSURE: 3098400 -162.837 -151.002 -3.14654 -119.567 106.687 2.09544 58.9593 -74.6892 -377.213 PRESSAVG: 3098400 74.0367 -53.7234 -5.65185 -53.7234 -41.7369 22.4463 -5.65187 22.4464 -13.1079 GPRESSAVG: 3098400 73.899 -56.4014 -8.51439 -51.2289 -42.0567 23.2816 -3.62862 23.6456 -13.3834 TIMING: 3098400 CPU: 9855.17, 0.00311481/step Wall: 9855.17, 0.00311481/step, 1.64531 hours remaining, 233.113281 MB of memory in use. ENERGY: 3098400 4001.5073 20500.0431 14556.2763 228.9042 -202855.2378 2354.6128 0.0000 0.0000 52179.0539 -109034.8402 299.8737 -161213.8942 -108676.3492 300.4799 -171.9194 -144.4542 760807.2342 6.3973 6.1530 PRESSURE: 3098600 -466.154 71.8666 249.013 71.8672 -482.544 -271.583 249.012 -271.582 -114.123 GPRESSURE: 3098600 -381.168 -5.94413 153.916 185.79 -457.732 -245.293 125.865 -224.5 -125.055 PRESSAVG: 3098600 -19.9524 8.16909 59.5618 8.16911 21.8975 -23.9959 59.5618 -23.9959 10.4072 GPRESSAVG: 3098600 -20.3558 7.76226 60.0063 9.00289 22.9959 -23.3216 57.1965 -26.7712 9.66585 TIMING: 3098600 CPU: 9855.8, 0.00313168/step Wall: 9855.8, 0.00313168/step, 1.65405 hours remaining, 233.113281 MB of memory in use. ENERGY: 3098600 3982.5931 20378.6211 14408.8673 251.2563 -202759.4079 2094.2550 0.0000 0.0000 52535.3108 -109108.5042 301.9212 -161643.8150 -108734.4410 299.9470 -354.2735 -321.3182 760551.6618 4.1175 4.1020 PRESSURE: 3098800 -362.557 -209.526 105.073 -209.527 119.999 476.261 105.073 476.262 -211.82 GPRESSURE: 3098800 -228.821 -160.178 67.0611 -128.697 98.1746 351.356 119.395 417.408 -247.775 PRESSAVG: 3098800 4.08832 -34.8727 32.1198 -34.8727 -18.995 -28.5568 32.1199 -28.5568 -19.7667 GPRESSAVG: 3098800 4.08843 -32.2248 33.1344 -37.1524 -20.3107 -29.0824 33.8688 -27.9027 -18.538 TIMING: 3098800 CPU: 9856.43, 0.0031403/step Wall: 9856.43, 0.0031403/step, 1.65843 hours remaining, 233.113281 MB of memory in use. ENERGY: 3098800 3921.7304 20642.5826 14470.5941 258.7609 -203062.1084 2281.1615 0.0000 0.0000 52215.9568 -109271.3222 300.0858 -161487.2790 -108902.6904 299.9327 -151.4593 -126.1404 759957.5800 -11.5578 -11.5867 PRESSURE: 3099000 304.78 106.649 -98.1705 106.648 288.283 83.9559 -98.1707 83.956 33.1379 GPRESSURE: 3099000 347.396 180.999 -57.379 114.345 192.408 90.7503 -20.5829 -57.5704 172.763 PRESSAVG: 3099000 26.9887 1.0148 23.5855 1.0148 9.78504 1.17312 23.5855 1.17318 17.8956 GPRESSAVG: 3099000 26.5314 -0.444544 23.7317 1.38113 9.54385 1.88389 22.7837 1.63297 18.2222 TIMING: 3099000 CPU: 9857.06, 0.00314881/step Wall: 9857.06, 0.00314881/step, 1.66275 hours remaining, 233.113281 MB of memory in use. ENERGY: 3099000 3978.7109 20617.7117 14548.2670 255.8289 -203572.1830 2416.2212 0.0000 0.0000 52341.1633 -109414.2799 300.8054 -161755.4432 -109051.4495 299.8778 208.7338 237.5224 757707.2759 18.2231 18.0992 PRESSURE: 3099200 -105.202 -29.021 -75.3879 -29.0209 -268.139 -38.5333 -75.3871 -38.534 -128.17 GPRESSURE: 3099200 -44.7738 -20.3897 -99.7312 158.358 -242.859 -24.8925 -87.1131 -62.2045 -134.016 PRESSAVG: 3099200 23.4332 67.9546 -88.3956 67.9546 1.77785 2.6066 -88.3957 2.60663 6.09011 GPRESSAVG: 3099200 23.94 67.9886 -89.7377 69.1428 1.78022 0.792835 -86.9332 2.47614 6.24925 TIMING: 3099200 CPU: 9857.68, 0.0031393/step Wall: 9857.68, 0.0031393/step, 1.65755 hours remaining, 233.113281 MB of memory in use. ENERGY: 3099200 3943.5117 20591.4002 14488.0397 248.1867 -203076.3122 2308.3730 0.0000 0.0000 52204.8094 -109291.9914 300.0218 -161496.8008 -108932.1241 299.8115 -167.1702 -140.5495 759910.3517 10.4337 10.6565 PRESSURE: 3099400 64.53 142.664 -106.286 142.663 -186.21 8.36828 -106.286 8.36929 -335.523 GPRESSURE: 3099400 90.4004 159.171 -88.4569 131.936 -146.426 24.0067 -216.594 59.9616 -328.406 PRESSAVG: 3099400 -10.1011 77.493 -23.7252 77.493 -11.6093 0.102088 -23.7251 0.102083 17.081 GPRESSAVG: 3099400 -10.1606 77.4997 -23.4342 75.0791 -9.91694 -1.44317 -25.5727 2.12789 15.3238 TIMING: 3099400 CPU: 9858.31, 0.00313961/step Wall: 9858.31, 0.00313961/step, 1.65754 hours remaining, 233.113281 MB of memory in use. ENERGY: 3099400 4011.8401 20626.2513 14416.7391 232.8254 -203338.7340 2663.2642 0.0000 0.0000 52178.6101 -109209.2038 299.8712 -161387.8139 -108853.2811 300.3553 -152.4010 -128.1439 759788.3642 -1.5431 -1.5846 PRESSURE: 3099600 -190.328 115.552 185.442 115.553 298.168 238.247 185.442 238.247 -209.958 GPRESSURE: 3099600 -149.864 25.8976 140.838 57.9275 244.195 123.932 87.2055 293.709 -118.389 PRESSAVG: 3099600 25.4902 11.486 21.3796 11.4859 8.41203 28.9796 21.3796 28.9796 -25.656 GPRESSAVG: 3099600 24.842 9.05352 20.9969 12.3071 8.51378 31.3492 21.8924 28.2769 -25.1367 TIMING: 3099600 CPU: 9858.93, 0.00311007/step Wall: 9858.93, 0.00311007/step, 1.64177 hours remaining, 233.113281 MB of memory in use. ENERGY: 3099600 4039.2411 20653.2146 14452.5680 258.4030 -203428.5263 2303.7621 0.0000 0.0000 52475.1795 -109246.1580 301.5756 -161721.3375 -108881.7114 300.6351 -34.0393 -8.0191 759418.9193 2.7487 2.7397 PRESSURE: 3099800 -1.8302 -117.178 -170.052 -117.177 -120.378 -41.656 -170.053 -41.6559 282.663 GPRESSURE: 3099800 4.67222 -164.013 -170.823 -31.0699 -68.7245 -25.0104 -66.0379 -46.4777 318.799 PRESSAVG: 3099800 -9.47578 -48.7903 3.00598 -48.7903 20.0761 -6.52886 3.006 -6.52879 -1.72591 GPRESSAVG: 3099800 -9.55673 -46.4381 4.91571 -48.6297 19.8106 -7.47287 0.761499 -8.04086 -0.986034 TIMING: 3099800 CPU: 9859.55, 0.00310583/step Wall: 9859.55, 0.00310583/step, 1.63936 hours remaining, 233.113281 MB of memory in use. ENERGY: 3099800 4101.6879 20539.2167 14440.4156 267.0012 -203626.4869 2628.3938 0.0000 0.0000 52147.4672 -109502.3044 299.6922 -161649.7716 -109143.9150 300.3831 53.4852 84.9155 758242.8439 2.9582 3.0893 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100000 -41.8306 -124.867 -134.924 -124.868 -127.859 227.663 -134.924 227.663 -12.1852 GPRESSURE: 3100000 -0.0280602 -89.4923 -199.469 -60.626 -72.3624 275.452 -105.384 238.751 -22.7211 PRESSAVG: 3100000 24.5782 -9.66022 -87.5479 -9.66025 -45.3919 -5.49904 -87.548 -5.49901 11.3204 GPRESSAVG: 3100000 24.7773 -9.93251 -89.0436 -8.13515 -44.7131 -4.83146 -83.2505 -4.92621 10.6919 TIMING: 3100000 CPU: 9860.2, 0.00321408/step Wall: 9860.2, 0.00321408/step, 1.69632 hours remaining, 233.113281 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: 3100000 3928.6364 20723.9353 14414.3267 262.4373 -203073.6245 2323.1599 0.0000 0.0000 52061.9248 -109359.2040 299.2006 -161421.1289 -109001.4869 299.5591 -60.6249 -31.7038 758867.1791 -3.1644 -3.0813 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 PRESSURE: 3100200 -217.069 38.7986 176.906 38.7985 -141.328 -237.336 176.904 -237.336 -226.079 GPRESSURE: 3100200 -159.481 -16.6838 184.941 -52.3678 -115.4 -113.68 104.523 -339.215 -243.353 PRESSAVG: 3100200 54.9881 23.7787 -13.1658 23.7787 -15.5537 -1.70182 -13.1658 -1.70188 28.2544 GPRESSAVG: 3100200 54.9721 23.3451 -12.4812 23.2453 -16.3562 -0.864958 -14.6463 -1.16376 28.9878 TIMING: 3100200 CPU: 9860.83, 0.00314515/step Wall: 9860.83, 0.00314515/step, 1.65976 hours remaining, 233.113281 MB of memory in use. ENERGY: 3100200 3946.8308 20787.9271 14452.6382 234.8259 -202730.8909 2031.5942 0.0000 0.0000 51946.8858 -109330.1890 298.5395 -161277.0748 -108967.7939 299.6048 -194.8252 -172.7447 761049.7964 22.5629 22.5346 LDB: ============= START OF LOAD BALANCING ============== 9873.24 LDB: ============== END OF LOAD BALANCING =============== 9873.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9873.25 LDB: ============= START OF LOAD BALANCING ============== 9873.56 LDB: Largest compute 7036 load 0.029189 is 14.9% of average load 0.195454 LDB: Average compute 0.004384 is 2.2% of average load 0.195454 LDB: TIME 9873.56 LOAD: AVG 0.195454 MAX 0.216655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.09 MB LDB: TIME 9873.56 LOAD: AVG 0.195454 MAX 0.216655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: TIME 9873.56 LOAD: AVG 0.195454 MAX 0.216655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: ============== END OF LOAD BALANCING =============== 9873.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9873.57 PRESSURE: 3100400 -19.2236 -177.897 -40.9775 -177.898 -28.9346 -53.6661 -40.9771 -53.6645 151.877 GPRESSURE: 3100400 51.5939 -167.47 46.5247 -144.32 80.7894 57.2419 -35.3221 33.5719 53.6642 PRESSAVG: 3100400 -0.53973 -38.4426 -16.6515 -38.4425 -7.87994 1.14457 -16.6515 1.14459 -7.96335 GPRESSAVG: 3100400 1.26499 -38.2075 -16.1341 -38.9153 -7.77804 1.09219 -17.7785 1.28342 -9.133 TIMING: 3100400 CPU: 9861.46, 0.00318357/step Wall: 9861.46, 0.00318357/step, 1.67986 hours remaining, 232.792969 MB of memory in use. ENERGY: 3100400 4017.9924 20646.8222 14462.8968 260.8475 -203096.7245 2442.8230 0.0000 0.0000 51884.6031 -109380.7394 298.1815 -161265.3425 -109018.5707 299.1501 34.5730 62.0158 760845.9153 -5.4610 -5.2154 PRESSURE: 3100600 105.266 122.511 87.7864 122.51 -84.3067 126.217 87.7868 126.216 39.0464 GPRESSURE: 3100600 216.021 258.306 99.7265 154.171 -20.4867 132.188 1.71766 -45.7408 -21.6718 PRESSAVG: 3100600 38.9223 -17.8981 -17.4519 -17.8981 39.0692 -101.301 -17.4519 -101.301 2.69815 GPRESSAVG: 3100600 37.5308 -15.9811 -17.7015 -17.589 41.2514 -102.923 -17.6297 -103.024 2.73622 TIMING: 3100600 CPU: 9862.09, 0.00312259/step Wall: 9862.09, 0.00312259/step, 1.64751 hours remaining, 232.792969 MB of memory in use. ENERGY: 3100600 4048.7424 20618.8152 14412.6974 254.5230 -203675.8346 2724.9926 0.0000 0.0000 52000.6599 -109615.4039 298.8485 -161616.0639 -109247.5837 298.9041 20.0018 57.9543 758536.2984 26.8966 27.1728 PRESSURE: 3100800 -477.631 117.397 -139.694 117.397 -297.515 -122.226 -139.694 -122.225 162.926 GPRESSURE: 3100800 -431.606 213.841 -118.154 192.95 -213.804 -212.54 -67.0153 -81.0898 111.903 PRESSAVG: 3100800 54.0503 -49.3505 -22.4053 -49.3505 -1.81929 -18.437 -22.4053 -18.4371 -12.8537 GPRESSAVG: 3100800 54.8183 -50.8778 -23.4148 -46.9374 -3.27899 -18.6976 -20.1669 -17.0057 -12.1146 TIMING: 3100800 CPU: 9862.71, 0.00311273/step Wall: 9862.71, 0.00311273/step, 1.64214 hours remaining, 232.792969 MB of memory in use. ENERGY: 3100800 3975.5855 20560.1294 14564.9113 240.4299 -203140.2664 2262.3654 0.0000 0.0000 51920.0409 -109616.8040 298.3852 -161536.8449 -109243.5798 299.2530 -204.0733 -177.8358 761084.1609 13.1258 13.1416 PRESSURE: 3101000 -278.348 -66.5733 66.7631 -66.5728 -130.668 -76.6199 66.7638 -76.6195 17.7666 GPRESSURE: 3101000 -166.817 -79.9786 -71.5918 -39.7373 -205.866 -42.8745 123.452 -33.6941 46.1746 PRESSAVG: 3101000 11.1892 -20.8626 5.38611 -20.8625 5.95465 -23.0315 5.38614 -23.0314 -6.4187 GPRESSAVG: 3101000 10.6368 -18.5614 5.91923 -23.2873 6.82287 -20.8267 4.18242 -23.4568 -7.08728 TIMING: 3101000 CPU: 9863.33, 0.0031167/step Wall: 9863.33, 0.0031167/step, 1.64406 hours remaining, 232.792969 MB of memory in use. ENERGY: 3101000 3980.0856 20638.3339 14469.9724 247.4739 -203460.4556 2491.0887 0.0000 0.0000 52084.3783 -109549.1230 299.3296 -161633.5013 -109184.0297 299.2494 -130.4164 -108.8362 759831.1183 3.5750 3.4575 PRESSURE: 3101200 127.104 -133.972 212.437 -133.973 103.062 333.851 212.437 333.85 -17.2024 GPRESSURE: 3101200 186.301 -244.727 284.903 -127.495 111.406 447.815 257.728 246.985 -23.2522 PRESSAVG: 3101200 25.1399 -46.482 20.3965 -46.482 -21.9124 -34.5865 20.3965 -34.5865 12.1408 GPRESSAVG: 3101200 26.5768 -47.4451 22.5839 -45.6665 -23.2647 -36.5084 18.5398 -35.2533 12.2303 TIMING: 3101200 CPU: 9863.95, 0.00310308/step Wall: 9863.95, 0.00310308/step, 1.6367 hours remaining, 232.792969 MB of memory in use. ENERGY: 3101200 3985.7238 20600.4442 14398.9308 243.9305 -203728.4007 2363.2708 0.0000 0.0000 52316.4673 -109819.6333 300.6635 -162136.1006 -109448.4599 299.1546 70.9876 91.4848 758042.4325 5.1228 5.1808 PRESSURE: 3101400 101.515 80.7986 148.192 80.7989 104.01 -118.602 148.191 -118.603 103.349 GPRESSURE: 3101400 233.271 58.0055 140.175 70.2427 50.9842 -205.046 178.454 -98.4122 107.804 PRESSAVG: 3101400 -20.9039 -35.6806 -1.45891 -35.6806 -6.67661 -3.41565 -1.45894 -3.41556 7.62634 GPRESSAVG: 3101400 -21.1875 -35.5786 -4.7797 -35.9468 -6.60164 -2.7659 2.04768 -2.53716 7.67814 TIMING: 3101400 CPU: 9864.58, 0.00311/step Wall: 9864.58, 0.00311/step, 1.64018 hours remaining, 232.792969 MB of memory in use. ENERGY: 3101400 3929.0280 20538.2081 14439.3067 237.8660 -203895.3406 2667.8325 0.0000 0.0000 52250.6383 -109832.4610 300.2851 -162083.0993 -109477.3276 298.9493 102.9584 130.6865 760133.4556 -6.6514 -6.7037 PRESSURE: 3101600 -89.3372 -42.7406 439.956 -42.74 143.48 -86.3033 439.955 -86.3034 14.9978 GPRESSURE: 3101600 -6.31882 -41.2148 332.869 -18.0603 153.946 -214.27 486.437 -38.6622 17.5968 PRESSAVG: 3101600 -28.2276 -4.76519 84.3073 -4.76512 29.8994 -43.9053 84.3073 -43.9052 21.3983 GPRESSAVG: 3101600 -27.8428 -6.49518 86.1035 -5.62285 29.051 -44.2859 82.4389 -44.1685 21.6791 TIMING: 3101600 CPU: 9865.2, 0.00311078/step Wall: 9865.2, 0.00311078/step, 1.64042 hours remaining, 232.792969 MB of memory in use. ENERGY: 3101600 3949.1273 20565.9358 14408.4242 250.0694 -203692.1147 2771.1833 0.0000 0.0000 51909.3770 -109837.9976 298.3239 -161747.3746 -109469.3742 298.7830 23.0468 55.0748 759489.1140 7.6900 7.6291 PRESSURE: 3101800 116.962 161.353 40.5194 161.353 -240.931 41.6468 40.5195 41.6465 44.3904 GPRESSURE: 3101800 132.629 177.129 32.1984 55.3445 -235.158 -147.171 32.27 73.4881 104.969 PRESSAVG: 3101800 -46.4139 3.89945 15.6604 3.89944 36.7839 21.514 15.6604 21.514 8.01746 GPRESSAVG: 3101800 -48.4942 4.73861 17.7624 4.81595 39.1017 21.5754 17.103 19.7649 7.7622 TIMING: 3101800 CPU: 9865.82, 0.00310648/step Wall: 9865.82, 0.00310648/step, 1.63798 hours remaining, 232.792969 MB of memory in use. ENERGY: 3101800 4026.7587 20496.7107 14384.4238 244.7312 -203487.0215 2540.4227 0.0000 0.0000 51855.5470 -109938.4274 298.0145 -161793.9744 -109569.5685 298.6781 -26.5260 0.8133 761012.1796 -0.5375 -0.5434 PRESSURE: 3102000 -235.566 -34.5072 -33.5888 -34.5076 83.5576 62.074 -33.5892 62.0738 373.659 GPRESSURE: 3102000 -127.443 18.7371 37.2574 -89.0224 132.194 49.351 -27.1375 135.589 291.438 PRESSAVG: 3102000 -88.1789 -2.6552 -3.20851 -2.65517 70.8371 -9.78449 -3.20848 -9.78456 9.48889 GPRESSAVG: 3102000 -85.9305 -1.30719 -4.09299 -2.77628 67.932 -10.4882 -3.43113 -9.08507 9.69022 TIMING: 3102000 CPU: 9866.44, 0.00311517/step Wall: 9866.44, 0.00311517/step, 1.64239 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3102000 3914.2867 20644.3804 14477.8833 240.2328 -203510.2026 2455.0960 0.0000 0.0000 51863.0632 -109915.2603 298.0577 -161778.3234 -109554.3397 298.3302 73.8835 98.7295 760443.1025 -2.6176 -2.7694 PRESSURE: 3102200 198.072 109.049 157.273 109.049 -416.356 30.7253 157.273 30.7245 -147.02 GPRESSURE: 3102200 130.827 216.551 162.145 161.529 -275.299 19.222 3.79781 7.82077 -149.068 PRESSAVG: 3102200 -18.6626 9.30894 -32.739 9.30892 1.97793 -35.8075 -32.7389 -35.8076 -7.34506 GPRESSAVG: 3102200 -18.9373 8.6319 -34.0351 7.86628 3.28893 -35.7434 -32.3447 -34.3878 -8.02534 TIMING: 3102200 CPU: 9867.07, 0.00312425/step Wall: 9867.07, 0.00312425/step, 1.647 hours remaining, 232.792969 MB of memory in use. ENERGY: 3102200 3919.9609 20619.7398 14498.3030 245.0988 -203364.3472 2393.7788 0.0000 0.0000 52119.5606 -109567.9052 299.5318 -161687.4658 -109194.9315 298.7761 -121.7678 -97.8466 760000.3501 -8.0099 -7.8912 PRESSURE: 3102400 150.998 1.12236 96.9938 1.12259 12.7283 -79.0257 96.9936 -79.0247 263.099 GPRESSURE: 3102400 216.869 -19.5312 41.7605 -30.264 94.4807 -45.1944 132.325 -88.8654 214.656 PRESSAVG: 3102400 1.12596 26.0981 -1.95972 26.0981 1.92742 -26.9556 -1.95982 -26.9557 -3.76917 GPRESSAVG: 3102400 0.771378 24.7609 -1.36318 26.1428 2.32624 -25.0914 -2.7138 -28.2524 -3.93692 TIMING: 3102400 CPU: 9867.69, 0.00312979/step Wall: 9867.69, 0.00312979/step, 1.64975 hours remaining, 232.792969 MB of memory in use. ENERGY: 3102400 3996.3728 20382.0456 14401.0298 236.7932 -203432.7703 2563.7622 0.0000 0.0000 52143.3795 -109709.3871 299.6687 -161852.7666 -109345.8948 298.8470 142.2752 175.3353 760001.7545 -0.2386 -0.2798 PRESSURE: 3102600 -121.979 25.8284 -93.7695 25.8278 -182.511 -188.922 -93.7684 -188.923 298.145 GPRESSURE: 3102600 -194.847 3.20128 -62.4706 57.0226 16.9998 -102.883 -140.205 -257.475 267.59 PRESSAVG: 3102600 -17.8953 5.62672 12.8455 5.62675 -5.44818 20.2747 12.8456 20.2746 21.9753 GPRESSAVG: 3102600 -19.3002 7.19646 12.8771 7.36145 -3.70034 17.7703 13.0404 19.6759 22.0933 TIMING: 3102600 CPU: 9868.31, 0.00310943/step Wall: 9868.31, 0.00310943/step, 1.63884 hours remaining, 232.792969 MB of memory in use. ENERGY: 3102600 3948.3118 20523.7852 14444.4688 242.6144 -203196.5929 2342.5389 0.0000 0.0000 52078.3043 -109616.5695 299.2947 -161694.8738 -109243.1553 299.4439 -2.1151 29.9143 761013.1748 -0.4561 -0.3024 PRESSURE: 3102800 -195.888 169.467 254.693 169.467 84.3831 -222.144 254.693 -222.145 -255.149 GPRESSURE: 3102800 -151.462 112.12 230.048 114.405 115.992 -142.3 222.428 -247.054 -247.91 PRESSAVG: 3102800 23.6229 -4.00877 -52.4354 -4.00877 -5.54194 -47.5556 -52.4353 -47.5556 -6.29738 GPRESSAVG: 3102800 25.3429 -5.32845 -51.9523 -7.45015 -8.25669 -46.9806 -53.2107 -48.6798 -5.96196 TIMING: 3102800 CPU: 9868.93, 0.00310027/step Wall: 9868.93, 0.00310027/step, 1.63384 hours remaining, 232.792969 MB of memory in use. ENERGY: 3102800 4034.8823 20616.9980 14442.6310 238.9860 -203335.0821 2353.9400 0.0000 0.0000 52182.9947 -109464.6500 299.8964 -161647.6446 -109100.2835 299.3636 -122.2180 -94.4597 759320.2695 3.9279 3.7081 PRESSURE: 3103000 -10.7987 -210.811 -41.8812 -210.81 60.1751 -99.1683 -41.8807 -99.1689 75.8054 GPRESSURE: 3103000 126.246 -173.325 -3.3657 -180.611 71.5554 -133.415 -30.7501 -86.4585 33.7064 PRESSAVG: 3103000 43.4359 15.1666 -32.3273 15.1667 -13.5621 -46.795 -32.3272 -46.7952 2.19532 GPRESSAVG: 3103000 42.3603 14.3804 -31.511 17.9238 -12.8003 -46.4627 -30.3098 -45.6774 2.47533 TIMING: 3103000 CPU: 9869.56, 0.00310469/step Wall: 9869.56, 0.00310469/step, 1.636 hours remaining, 232.792969 MB of memory in use. ENERGY: 3103000 3965.2020 20599.7159 14518.3405 270.6454 -203434.9506 2514.4214 0.0000 0.0000 52220.9727 -109345.6528 300.1146 -161566.6256 -108982.4315 299.7657 41.7273 77.1692 757870.7303 10.6897 10.6785 PRESSURE: 3103200 150.476 195.214 -20.188 195.213 -41.482 327.522 -20.187 327.521 -112.757 GPRESSURE: 3103200 105.399 182.828 -53.3214 217.963 10.1664 292.717 17.7252 236.85 -30.091 PRESSAVG: 3103200 5.62241 -19.4414 -4.80244 -19.4414 -7.50478 -54.0807 -4.80244 -54.0806 -17.7693 GPRESSAVG: 3103200 4.98957 -17.4474 -5.90047 -21.482 -6.69171 -54.9593 -3.18259 -54.693 -17.9888 TIMING: 3103200 CPU: 9870.18, 0.00310957/step Wall: 9870.18, 0.00310957/step, 1.6384 hours remaining, 232.792969 MB of memory in use. ENERGY: 3103200 3944.4468 20583.0994 14402.5968 260.1030 -203338.5713 2433.7879 0.0000 0.0000 52313.9910 -109400.5465 300.6492 -161714.5375 -109033.3375 299.8690 -1.2542 28.4916 759855.6092 -6.5506 -6.5637 PRESSURE: 3103400 257.905 -132.792 46.2441 -132.793 -45.1376 -35.6749 46.2441 -35.6746 306.929 GPRESSURE: 3103400 216.398 -55.6731 83.7796 -38.5899 46.7524 71.1605 -4.00035 -46.3909 351.444 PRESSAVG: 3103400 -52.1627 -34.8763 -30.7056 -34.8764 32.1438 23.0698 -30.7055 23.0698 -12.1983 GPRESSAVG: 3103400 -52.2301 -33.712 -31.8429 -33.0965 32.2112 23.0359 -33.7381 24.5932 -12.2391 TIMING: 3103400 CPU: 9870.8, 0.00312128/step Wall: 9870.8, 0.00312128/step, 1.64439 hours remaining, 232.792969 MB of memory in use. ENERGY: 3103400 4039.9974 20534.7607 14470.0292 225.2448 -203697.2474 2606.0584 0.0000 0.0000 52313.2402 -109507.9167 300.6449 -161821.1569 -109141.4071 299.4251 173.2322 204.8646 758009.7868 -10.7391 -10.7527 PRESSURE: 3103600 -245.165 -28.7119 -45.5076 -28.7122 -100.95 130.314 -45.507 130.314 -35.6107 GPRESSURE: 3103600 -178.782 54.8053 40.8384 37.4836 -89.339 122.41 -32.5725 134.383 -47.8547 PRESSAVG: 3103600 -3.38122 -32.2493 -50.9143 -32.2494 -25.1479 22.2772 -50.9143 22.2772 -13.3307 GPRESSAVG: 3103600 -2.02525 -32.2649 -48.5107 -32.3572 -26.6397 22.283 -50.7056 22.7275 -13.1058 TIMING: 3103600 CPU: 9871.42, 0.00311448/step Wall: 9871.42, 0.00311448/step, 1.64064 hours remaining, 232.792969 MB of memory in use. ENERGY: 3103600 4004.3880 20558.2242 14472.0944 256.5767 -203210.6406 2369.7797 0.0000 0.0000 52109.0660 -109440.5116 299.4715 -161549.5776 -109080.2873 300.0770 -127.2422 -105.3251 759660.5008 -13.9533 -13.9236 PRESSURE: 3103800 -180.761 -112.996 -130.709 -112.996 -233.43 55.2811 -130.709 55.2807 -105.621 GPRESSURE: 3103800 -119.398 -31.5077 -179.76 -208.531 -276.923 -30.88 -91.0817 -33.3596 -25.9454 PRESSAVG: 3103800 28.9051 44.7409 -36.406 44.741 -38.0582 60.6324 -36.406 60.6324 4.1806 GPRESSAVG: 3103800 27.4217 44.0531 -38.0398 43.4764 -37.553 61.877 -36.7653 58.8802 5.21329 TIMING: 3103800 CPU: 9872.05, 0.00312948/step Wall: 9872.05, 0.00312948/step, 1.64837 hours remaining, 232.792969 MB of memory in use. ENERGY: 3103800 4053.4623 20801.9129 14482.0794 243.7827 -203486.2858 2443.7638 0.0000 0.0000 52058.6334 -109402.6514 299.1817 -161461.2848 -109043.1036 299.9041 -173.2707 -140.7556 759671.0294 -1.6575 -1.6393 PRESSURE: 3104000 -63.4748 13.7901 -307.242 13.7898 -166.174 -117.982 -307.243 -117.983 -660.207 GPRESSURE: 3104000 0.556453 -13.0415 -287.355 38.0392 -148.587 -138.221 -270.399 -5.97357 -671.264 PRESSAVG: 3104000 9.53389 43.3906 -19.3078 43.3905 -16.1296 -66.7871 -19.3078 -66.7872 4.90667 GPRESSAVG: 3104000 11.1703 43.4029 -18.5384 44.9293 -16.8478 -68.3871 -20.736 -66.1547 3.67046 TIMING: 3104000 CPU: 9872.68, 0.00313301/step Wall: 9872.68, 0.00313301/step, 1.65005 hours remaining, 232.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3104000 4075.2227 20562.9248 14507.9578 252.5957 -203083.2567 2249.2025 0.0000 0.0000 52121.6914 -109313.6617 299.5441 -161435.3531 -108959.0290 299.6216 -296.6185 -273.0982 763057.9723 -0.5630 -0.6690 PRESSURE: 3104200 -124.158 -36.0907 -118.748 -36.0912 268.824 -90.7513 -118.747 -90.7519 173.369 GPRESSURE: 3104200 -72.8798 -89.383 -99.6883 -56.9928 297.813 -30.6344 9.2624 -254.833 189.526 PRESSAVG: 3104200 -19.85 5.4774 34.4282 5.47729 -27.2814 -0.865195 34.4282 -0.865163 1.74442 GPRESSAVG: 3104200 -20.9745 3.58019 34.2341 5.0353 -26.5489 0.996698 36.4764 -1.17013 2.39674 TIMING: 3104200 CPU: 9873.3, 0.00312107/step Wall: 9873.3, 0.00312107/step, 1.64359 hours remaining, 232.792969 MB of memory in use. ENERGY: 3104200 4005.1193 20623.7456 14521.1675 240.2838 -203183.0425 2532.5187 0.0000 0.0000 51882.3583 -109377.8494 298.1686 -161260.2077 -109025.6538 299.2672 106.0119 138.1530 762663.9496 -15.1290 -15.0422 LDB: ============= START OF LOAD BALANCING ============== 9885.72 LDB: ============== END OF LOAD BALANCING =============== 9885.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9885.72 LDB: ============= START OF LOAD BALANCING ============== 9886.04 LDB: Largest compute 7076 load 0.030125 is 15.4% of average load 0.195481 LDB: Average compute 0.004414 is 2.3% of average load 0.195481 LDB: TIME 9886.04 LOAD: AVG 0.195481 MAX 0.216999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 9886.04 LOAD: AVG 0.195481 MAX 0.216999 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: TIME 9886.04 LOAD: AVG 0.195481 MAX 0.216999 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: ============== END OF LOAD BALANCING =============== 9886.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9886.05 PRESSURE: 3104400 -327.753 -168.124 -65.7895 -168.125 -148.523 -6.23831 -65.7894 -6.23873 182.56 GPRESSURE: 3104400 -305.813 -178.257 -48.7201 -92.0868 -109.661 -46.0221 -101.215 94.4548 221.195 PRESSAVG: 3104400 -12.3373 -41.536 8.56496 -41.536 36.0003 -1.28813 8.56498 -1.2881 14.7029 GPRESSAVG: 3104400 -12.1255 -38.5773 8.99567 -41.5703 35.8592 -0.814408 6.29936 -1.85685 14.1639 TIMING: 3104400 CPU: 9873.94, 0.00319894/step Wall: 9873.94, 0.00319894/step, 1.68442 hours remaining, 235.617188 MB of memory in use. ENERGY: 3104400 3989.0734 20643.5651 14522.7352 255.9073 -203495.0668 2484.2755 0.0000 0.0000 52106.9342 -109492.5760 299.4593 -161599.5103 -109130.1155 299.1217 -97.9053 -64.7596 760673.9593 12.7886 12.6325 PRESSURE: 3104600 165.202 -167.868 1.60124 -167.868 -322.403 -66.2609 1.60029 -66.2604 -442.95 GPRESSURE: 3104600 221.436 -246.999 53.8647 -57.7632 -267.462 -32.6209 7.0845 -30.3666 -433.366 PRESSAVG: 3104600 29.0467 -46.0762 8.1369 -46.0762 -46.9809 5.05683 8.13687 5.05681 7.63004 GPRESSAVG: 3104600 29.8671 -47.6046 7.01081 -45.2083 -48.1838 3.10699 10.0921 6.77198 8.08801 TIMING: 3104600 CPU: 9874.57, 0.00313502/step Wall: 9874.57, 0.00313502/step, 1.65059 hours remaining, 235.945312 MB of memory in use. ENERGY: 3104600 4069.3066 20480.1813 14514.6841 247.6300 -203518.7656 2693.9985 0.0000 0.0000 52142.7913 -109370.1739 299.6653 -161512.9652 -109017.5783 299.2104 -200.0503 -159.7974 761734.5439 -3.4347 -3.4096 PRESSURE: 3104800 10.8368 -5.21091 -53.8444 -5.21099 2.84706 218.715 -53.8444 218.714 -53.1595 GPRESSURE: 3104800 10.3425 -124.764 -43.4721 -25.1588 97.9267 216.223 -85.8666 178.398 -48.6875 PRESSAVG: 3104800 -5.00367 -59.9186 13.5928 -59.9186 -29.4196 -19.5925 13.5928 -19.5925 28.2459 GPRESSAVG: 3104800 -4.71204 -58.3324 14.121 -62.3491 -28.086 -20.0244 13.7825 -18.7745 27.2893 TIMING: 3104800 CPU: 9875.19, 0.00312715/step Wall: 9875.19, 0.00312715/step, 1.64627 hours remaining, 235.957031 MB of memory in use. ENERGY: 3104800 4028.3385 20457.5516 14458.1328 236.9921 -203126.5277 2502.9162 0.0000 0.0000 51921.3640 -109521.2325 298.3928 -161442.5965 -109152.6086 298.9998 -13.1585 19.8606 761878.3424 -2.0591 -1.8362 PRESSURE: 3105000 3.7871 73.047 -282.077 73.0469 37.4945 -129.623 -282.077 -129.624 -169.859 GPRESSURE: 3105000 28.9668 21.4138 -260.107 46.1922 42.3271 1.82357 -301.474 -178.924 -114.723 PRESSAVG: 3105000 0.684643 -59.1096 -17.4919 -59.1097 -41.0736 -19.3184 -17.4919 -19.3184 -10.855 GPRESSAVG: 3105000 1.24198 -60.0836 -17.4259 -58.8487 -41.9654 -18.0481 -17.1088 -21.1285 -10.5511 TIMING: 3105000 CPU: 9875.82, 0.0031387/step Wall: 9875.82, 0.00313869/step, 1.65217 hours remaining, 235.957031 MB of memory in use. ENERGY: 3105000 3998.8647 20462.9752 14455.3064 238.2593 -203147.8666 2421.3746 0.0000 0.0000 52109.1987 -109461.8877 299.4723 -161571.0864 -109103.2988 299.2015 -42.8593 -14.4765 762128.8848 -17.0813 -17.0915 PRESSURE: 3105200 -79.7118 -33.0423 160.998 -33.0425 122.817 -205.783 160.998 -205.784 351.326 GPRESSURE: 3105200 -57.3457 14.255 196.638 -113.281 72.5733 -202.018 130.055 -140.432 464.776 PRESSAVG: 3105200 -24.372 9.99223 -53.1517 9.99223 62.8348 -32.2845 -53.1517 -32.2846 13.2021 GPRESSAVG: 3105200 -26.8995 10.7132 -53.0209 9.72513 64.4748 -31.9113 -54.099 -30.8589 13.8356 TIMING: 3105200 CPU: 9876.45, 0.003126/step Wall: 9876.45, 0.003126/step, 1.64532 hours remaining, 236.160156 MB of memory in use. ENERGY: 3105200 4029.4307 20522.9605 14477.1249 252.6964 -203669.6497 2711.3501 0.0000 0.0000 51995.2057 -109680.8814 298.8172 -161676.0871 -109319.7933 299.4197 131.4773 160.0011 761405.4636 17.2216 17.1370 PRESSURE: 3105400 -52.5047 -177.354 -233.008 -177.356 -266.125 40.1897 -233.008 40.1906 -199.42 GPRESSURE: 3105400 13.216 -272.728 -192.706 -34.0828 -257.276 -44.1051 -109.129 -6.31414 -176.127 PRESSAVG: 3105400 -26.3795 -31.1994 -27.746 -31.1994 3.31562 -17.5152 -27.746 -17.5152 -29.6961 GPRESSAVG: 3105400 -24.5356 -32.9981 -27.2985 -30.6557 1.77848 -20.2707 -28.2104 -17.4912 -30.1253 TIMING: 3105400 CPU: 9877.07, 0.0031305/step Wall: 9877.07, 0.0031305/step, 1.64751 hours remaining, 236.160156 MB of memory in use. ENERGY: 3105400 4002.0441 20732.1980 14487.4789 256.1677 -203449.6004 2495.8688 0.0000 0.0000 51853.6187 -109622.2241 298.0035 -161475.8428 -109263.7238 298.6802 -172.6831 -140.0623 761508.3866 -17.5866 -17.6275 PRESSURE: 3105600 403.143 -409.563 83.3457 -409.563 162.524 -71.2031 83.3466 -71.2029 298.527 GPRESSURE: 3105600 388.644 -306.746 18.4316 -431.676 243.747 -155.136 79.7237 93.487 305.143 PRESSAVG: 3105600 11.2481 -69.1784 -17.5366 -69.1785 -10.9087 22.5816 -17.5365 22.5816 4.90188 GPRESSAVG: 3105600 10.2348 -69.5803 -19.0899 -68.4942 -9.98576 24.0274 -17.965 22.1929 4.81824 TIMING: 3105600 CPU: 9877.7, 0.00311857/step Wall: 9877.7, 0.00311857/step, 1.64106 hours remaining, 236.160156 MB of memory in use. ENERGY: 3105600 3998.9878 20598.6834 14426.9901 225.6112 -203750.6943 2905.3840 0.0000 0.0000 52041.9462 -109553.0916 299.0858 -161595.0378 -109194.7749 299.2259 288.0648 312.5113 760180.3188 1.7471 1.6891 PRESSURE: 3105800 371.578 111.626 216.894 111.626 37.6469 -186.119 216.893 -186.12 -157.56 GPRESSURE: 3105800 573.75 32.3812 156.705 63.2664 -56.2411 -236.229 341.768 -140.023 -194.946 PRESSAVG: 3105800 13.3401 28.2238 -20.8952 28.2238 -1.10961 19.8591 -20.8951 19.8591 -7.984 GPRESSAVG: 3105800 14.6781 29.5085 -21.1344 27.7917 -1.98299 21.247 -20.5918 20.7617 -8.86486 TIMING: 3105800 CPU: 9878.32, 0.00311761/step Wall: 9878.32, 0.00311761/step, 1.64038 hours remaining, 236.160156 MB of memory in use. ENERGY: 3105800 4041.2746 20500.9025 14434.6203 246.8520 -203530.5686 2569.8221 0.0000 0.0000 52317.3519 -109419.7453 300.6685 -161737.0971 -109062.5467 299.4166 83.8883 107.5210 760903.2346 1.4155 1.2768 PRESSURE: 3106000 -28.1386 2.62571 -274.857 2.62606 -267.423 -213.625 -274.858 -213.625 -113.164 GPRESSURE: 3106000 7.06033 -40.8572 -267.56 -65.8811 -241.596 -254.078 -140.182 -243.188 -77.6785 PRESSAVG: 3106000 70.2899 -58.5566 -39.6093 -58.5566 -80.7772 -41.5915 -39.6093 -41.5915 -4.12683 GPRESSAVG: 3106000 69.2927 -59.2489 -38.9234 -59.5826 -80.3176 -42.772 -39.4707 -42.9097 -3.36969 TIMING: 3106000 CPU: 9878.94, 0.0031021/step Wall: 9878.94, 0.0031021/step, 1.63205 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3106000 4020.2940 20451.7637 14546.3409 239.8124 -202922.2361 2479.8097 0.0000 0.0000 51931.1801 -109253.0352 298.4492 -161184.2154 -108893.1736 300.0106 -136.2416 -104.0713 760804.8102 -4.8714 -4.7982 PRESSURE: 3106200 -48.259 78.3052 39.8111 78.3058 199.186 -154.139 39.8103 -154.139 120.107 GPRESSURE: 3106200 -70.142 -46.6995 64.3521 62.6048 181.188 -252.526 95.7267 -5.49846 229.026 PRESSAVG: 3106200 18.2225 -46.5755 -23.8052 -46.5756 -25.1351 -7.56092 -23.8052 -7.56089 0.571333 GPRESSAVG: 3106200 18.6539 -46.5305 -24.0002 -46.2665 -25.7138 -6.26823 -24.3828 -8.91658 0.851294 TIMING: 3106200 CPU: 9879.56, 0.00310766/step Wall: 9879.56, 0.00310766/step, 1.6348 hours remaining, 236.160156 MB of memory in use. ENERGY: 3106200 3962.7810 20653.1393 14576.9330 225.4594 -203041.8706 2405.6834 0.0000 0.0000 51816.2199 -109401.6545 297.7885 -161217.8744 -109049.5518 299.3762 90.3444 113.3575 761658.9448 -2.1137 -2.0695 PRESSURE: 3106400 329.987 -83.074 148.876 -83.0737 139.921 110.041 148.877 110.04 -20.7894 GPRESSURE: 3106400 402.437 -75.2182 122.124 -28.37 142.278 21.2292 164.103 60.2692 -23.2188 PRESSAVG: 3106400 17.0623 -89.9313 -19.1868 -89.9313 11.8036 14.4942 -19.1868 14.4942 -14.6406 GPRESSAVG: 3106400 17.3458 -88.738 -18.1408 -90.4394 12.0027 13.4666 -19.8762 14.2022 -14.9647 TIMING: 3106400 CPU: 9880.18, 0.00311376/step Wall: 9880.18, 0.00311376/step, 1.63784 hours remaining, 236.160156 MB of memory in use. ENERGY: 3106400 3964.3143 20410.2447 14608.4352 250.1083 -203453.6563 2719.1926 0.0000 0.0000 52195.2188 -109306.1424 299.9666 -161501.3612 -108932.8515 299.4567 149.7064 173.8320 759891.5262 4.7418 4.7946 PRESSURE: 3106600 -301.432 -104.364 -18.1618 -104.365 -238.111 234.389 -18.1624 234.389 -360.659 GPRESSURE: 3106600 -356.174 -113.63 -79.5361 32.4437 -101.55 139.202 99.8025 335.245 -352.428 PRESSAVG: 3106600 -12.0885 -61.55 8.12211 -61.55 39.7934 -8.39706 8.12209 -8.39697 -7.17855 GPRESSAVG: 3106600 -11.877 -63.1845 6.92882 -59.247 39.7533 -8.08432 7.44172 -5.43415 -7.89493 TIMING: 3106600 CPU: 9880.81, 0.00313235/step Wall: 9880.81, 0.00313235/step, 1.64744 hours remaining, 236.160156 MB of memory in use. ENERGY: 3106600 4030.8915 20501.9057 14442.4681 257.8589 -203553.5529 2408.2023 0.0000 0.0000 52090.7510 -109821.4754 299.3663 -161912.2264 -109458.2415 299.1293 -300.0676 -270.0506 759815.4990 6.8421 6.6604 PRESSURE: 3106800 -9.58544 -4.54405 -6.9973 -4.54372 -233.319 -146.089 -6.99804 -146.09 -43.7315 GPRESSURE: 3106800 53.2094 56.2172 -20.186 -144.813 -227.2 -58.045 -84.3912 -103.348 -6.14987 PRESSAVG: 3106800 -2.61227 -51.9203 -55.982 -51.9203 -1.90403 -16.4596 -55.982 -16.4596 5.44374 GPRESSAVG: 3106800 -2.90864 -51.3913 -54.661 -52.4668 -1.44502 -17.2955 -54.7865 -15.7887 5.8691 TIMING: 3106800 CPU: 9881.44, 0.00313292/step Wall: 9881.44, 0.00313292/step, 1.64757 hours remaining, 236.160156 MB of memory in use. ENERGY: 3106800 3993.8079 20572.7863 14447.7481 249.5454 -203223.8157 2574.9144 0.0000 0.0000 51821.3144 -109563.6991 297.8178 -161385.0135 -109203.2307 298.7354 -95.5452 -60.0468 761356.0348 0.3091 0.5051 PRESSURE: 3107000 -236.427 3.44987 -113.738 3.44926 -431.988 -3.5848 -113.739 -3.58594 -470.51 GPRESSURE: 3107000 -287.219 -45.8509 -155.855 -46.5315 -268.996 -62.2913 -118.185 53.0248 -504.137 PRESSAVG: 3107000 7.43774 -60.4685 6.78979 -60.4685 -65.2007 -38.7561 6.78973 -38.7561 4.03337 GPRESSAVG: 3107000 4.6685 -62.0668 6.85582 -61.2778 -63.8707 -39.1361 5.51071 -39.8684 5.0697 TIMING: 3107000 CPU: 9882.06, 0.00312462/step Wall: 9882.06, 0.00312462/step, 1.64303 hours remaining, 236.160156 MB of memory in use. ENERGY: 3107000 4034.9163 20609.1098 14509.7109 240.1247 -203190.2010 2033.7397 0.0000 0.0000 52104.8198 -109657.7798 299.4471 -161762.5996 -109294.6978 299.1394 -379.6419 -353.4508 761552.2350 -17.9099 -18.0442 PRESSURE: 3107200 5.31847 -74.6078 35.0418 -74.6081 -143.492 144.929 35.0413 144.929 -574.497 GPRESSURE: 3107200 52.4654 -77.7653 -3.89847 -71.6402 -148.998 101.083 26.596 158.395 -521.527 PRESSAVG: 3107200 -8.71141 -50.8669 -1.82387 -50.8669 -33.1638 44.03 -1.82388 44.03 -4.56 GPRESSAVG: 3107200 -6.78097 -48.9468 -1.94469 -50.9511 -33.8274 42.4375 -1.97052 43.5089 -5.52087 TIMING: 3107200 CPU: 9882.69, 0.00313149/step Wall: 9882.69, 0.00313149/step, 1.64647 hours remaining, 236.160156 MB of memory in use. ENERGY: 3107200 3947.1886 20624.5641 14461.3176 242.0659 -203377.9393 2445.8719 0.0000 0.0000 51939.9032 -109717.0280 298.4993 -161656.9312 -109350.4585 298.8127 -237.5567 -206.0199 762662.4970 -15.4784 -15.3764 PRESSURE: 3107400 201.699 -145.977 -59.6788 -145.977 -5.70129 111.627 -59.6795 111.627 -412.171 GPRESSURE: 3107400 121.702 -127.106 -92.1255 -160.353 54.516 136.719 -7.27454 45.9053 -306.649 PRESSAVG: 3107400 47.6433 -29.4488 63.2929 -29.4488 -124.106 3.20967 63.293 3.20973 -7.76393 GPRESSAVG: 3107400 47.6058 -31.2812 61.2865 -29.9722 -124.249 6.96509 65.376 3.42769 -7.75197 TIMING: 3107400 CPU: 9883.31, 0.00311135/step Wall: 9883.31, 0.00311135/step, 1.6357 hours remaining, 236.160156 MB of memory in use. ENERGY: 3107400 3983.1885 20550.5486 14407.7282 233.9946 -203168.5966 2557.2060 0.0000 0.0000 51967.4305 -109468.5001 298.6575 -161435.9306 -109114.6683 298.6405 -72.0578 -43.4768 762555.7990 -28.0755 -28.1316 PRESSURE: 3107600 208.312 10.8912 170.944 10.8914 45.2859 -144.326 170.943 -144.326 -301.846 GPRESSURE: 3107600 213.718 -3.26156 111.335 -2.02756 102.24 -107.305 274.757 14.7325 -288.853 PRESSAVG: 3107600 -43.9811 -3.23733 68.6014 -3.23734 54.422 -59.7482 68.6014 -59.7482 9.05459 GPRESSAVG: 3107600 -43.8632 -1.73334 70.053 -2.38461 54.2623 -62.0335 67.214 -59.3177 9.02648 TIMING: 3107600 CPU: 9883.94, 0.00312195/step Wall: 9883.94, 0.00312195/step, 1.6411 hours remaining, 236.160156 MB of memory in use. ENERGY: 3107600 3995.2365 20550.4854 14488.3888 263.0391 -203278.4136 2634.2937 0.0000 0.0000 52116.6618 -109230.3082 299.5152 -161346.9700 -108869.1941 299.3598 -16.0826 9.0352 762057.6927 6.4985 6.4752 PRESSURE: 3107800 -34.1644 57.683 -48.3033 57.6834 -222.371 -26.1091 -48.3034 -26.109 -144.644 GPRESSURE: 3107800 10.5276 120.419 6.8055 -26.017 -132.349 68.8084 -49.2883 -90.1661 -187.897 PRESSAVG: 3107800 -6.70896 -5.67753 23.5127 -5.67757 -34.6812 -17.0383 23.5127 -17.0383 2.27393 GPRESSAVG: 3107800 -5.70041 -7.37414 22.6876 -5.83106 -34.6253 -16.4939 25.7313 -17.0927 1.64192 TIMING: 3107800 CPU: 9884.56, 0.00310165/step Wall: 9884.56, 0.00310165/step, 1.63026 hours remaining, 236.160156 MB of memory in use. ENERGY: 3107800 4007.3952 20464.3779 14511.1664 232.4428 -203198.2063 2530.5341 0.0000 0.0000 52298.8894 -109153.4004 300.5624 -161452.2898 -108779.3090 299.5342 -133.7264 -103.2396 761115.9801 -13.0387 -12.8946 PRESSURE: 3108000 78.8925 24.5537 -254.332 24.5541 34.9044 -8.86101 -254.331 -8.86199 255.453 GPRESSURE: 3108000 107.217 34.8772 -210.189 31.4188 67.1545 1.74272 -178.688 -100.74 272.619 PRESSAVG: 3108000 41.7739 -34.9227 9.69153 -34.9227 -33.0458 -75.355 9.69153 -75.355 -2.83732 GPRESSAVG: 3108000 41.0635 -34.4318 12.1231 -34.4556 -33.4003 -74.6752 8.244 -77.0676 -1.39032 TIMING: 3108000 CPU: 9885.18, 0.00311243/step Wall: 9885.18, 0.00311243/step, 1.63576 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 4019.2528 20451.0660 14529.3428 246.1117 -203412.8332 2732.0530 0.0000 0.0000 52198.7719 -109236.2349 299.9871 -161435.0069 -108869.2601 300.3073 123.0833 148.9969 759971.4379 1.9636 2.0910 PRESSURE: 3108200 73.9038 -187.802 1.1749 -187.802 124.329 93.7087 1.1744 93.7091 -245.496 GPRESSURE: 3108200 132.727 -275.351 -4.77277 -190.748 154.415 207.026 64.818 -73.6264 -250.008 PRESSAVG: 3108200 54.1309 -19.1921 17.9602 -19.1921 -22.5139 1.659 17.9603 1.65902 -5.2309 GPRESSAVG: 3108200 52.8458 -19.9053 17.0114 -20.6517 -21.6388 0.261701 17.2156 1.68525 -4.70177 TIMING: 3108200 CPU: 9885.8, 0.00310958/step Wall: 9885.8, 0.00310958/step, 1.63408 hours remaining, 236.160156 MB of memory in use. ENERGY: 3108200 3941.5389 20652.9051 14522.9759 246.2590 -203260.8318 2537.9682 0.0000 0.0000 52080.0840 -109279.1007 299.3050 -161359.1847 -108926.9640 299.4941 -15.7542 12.3781 761399.2348 8.7954 8.8351 LDB: ============= START OF LOAD BALANCING ============== 9898.22 LDB: ============== END OF LOAD BALANCING =============== 9898.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9898.22 LDB: ============= START OF LOAD BALANCING ============== 9898.53 LDB: Largest compute 7030 load 0.030481 is 15.6% of average load 0.195602 LDB: Average compute 0.004379 is 2.2% of average load 0.195602 LDB: TIME 9898.54 LOAD: AVG 0.195602 MAX 0.216541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 9898.54 LOAD: AVG 0.195602 MAX 0.216541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 9898.54 LOAD: AVG 0.195602 MAX 0.216541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 9898.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9898.54 PRESSURE: 3108400 -320.511 145.488 160.722 145.488 -247.768 6.89546 160.722 6.89503 -298.759 GPRESSURE: 3108400 -288.117 78.6188 225.301 125.275 -155.868 5.22565 79.9233 31.923 -307.039 PRESSAVG: 3108400 -14.1509 -28.3974 15.1663 -28.3974 -14.6235 -26.8529 15.1663 -26.8529 -5.12384 GPRESSAVG: 3108400 -11.8524 -27.1211 13.7361 -28.5755 -15.1253 -26.6374 13.7668 -25.7783 -6.6169 TIMING: 3108400 CPU: 9886.44, 0.00319315/step Wall: 9886.44, 0.00319315/step, 1.67782 hours remaining, 232.339844 MB of memory in use. ENERGY: 3108400 4116.3432 20538.0023 14537.6417 229.0008 -202923.7552 2423.8967 0.0000 0.0000 51789.6682 -109289.2022 297.6359 -161078.8705 -108928.0665 299.6925 -289.0126 -250.3414 760915.5827 -11.2994 -11.1982 PRESSURE: 3108600 -97.609 -127.765 67.7269 -127.766 -69.0933 49.3169 67.726 49.3168 -42.4737 GPRESSURE: 3108600 -135.89 -158.237 136.712 -44.9357 36.0632 86.8939 43.6971 29.8103 -14.1015 PRESSAVG: 3108600 -28.6252 8.20139 30.547 8.20138 7.14347 -19.1763 30.5469 -19.1763 36.4906 GPRESSAVG: 3108600 -30.0673 6.12789 29.2452 10.164 8.02094 -18.9086 32.1845 -17.4299 37.1872 TIMING: 3108600 CPU: 9887.06, 0.00310841/step Wall: 9887.06, 0.00310841/step, 1.63312 hours remaining, 232.339844 MB of memory in use. ENERGY: 3108600 3986.2965 20632.1912 14531.0559 238.8893 -203551.3776 2827.7193 0.0000 0.0000 52090.9542 -109244.2711 299.3674 -161335.2254 -108876.2445 299.6179 -69.7253 -37.9761 761247.9957 5.0030 5.0469 PRESSURE: 3108800 275.797 32.143 24.1468 32.144 199.594 53.6716 24.1469 53.6715 308.027 GPRESSURE: 3108800 295.291 24.5934 -24.965 15.7533 198.674 78.5576 242.883 98.2529 369.244 PRESSAVG: 3108800 1.76998 6.40411 -0.14671 6.40417 -5.1566 -68.5274 -0.14671 -68.5274 13.7554 GPRESSAVG: 3108800 1.57362 8.13686 -0.778963 4.0977 -5.58044 -69.4912 0.86353 -70.2674 14.0509 TIMING: 3108800 CPU: 9887.68, 0.00310855/step Wall: 9887.68, 0.00310855/step, 1.63303 hours remaining, 232.339844 MB of memory in use. ENERGY: 3108800 3989.6925 20576.5651 14476.8777 252.8261 -203420.6151 2699.6198 0.0000 0.0000 52251.8934 -109173.1406 300.2923 -161425.0340 -108814.5712 299.3626 261.1394 287.7362 762106.2993 3.4563 3.3480 PRESSURE: 3109000 -207.286 -151.287 -229.204 -151.287 -178.614 79.7666 -229.204 79.7669 -510.453 GPRESSURE: 3109000 -190.484 -163.599 -164.637 -146.33 -174.006 107.612 -166.447 39.9044 -448.361 PRESSAVG: 3109000 -22.9427 -11.1305 7.68154 -11.1305 2.59016 23.4789 7.68158 23.4791 -2.93277 GPRESSAVG: 3109000 -22.0614 -10.2255 8.91864 -8.89944 1.87891 24.9076 6.71629 24.3282 -2.83636 TIMING: 3109000 CPU: 9888.31, 0.00312075/step Wall: 9888.31, 0.00312075/step, 1.63926 hours remaining, 232.339844 MB of memory in use. ENERGY: 3109000 4035.1135 20589.1854 14623.5120 258.4532 -203384.7759 2460.4759 0.0000 0.0000 52165.9555 -109252.0804 299.7985 -161418.0359 -108889.1986 300.1233 -298.7841 -270.9503 761711.0715 -7.7618 -7.6730 PRESSURE: 3109200 -138.231 68.1673 116.121 68.1671 -189.415 133.41 116.121 133.409 -97.0787 GPRESSURE: 3109200 -71.8381 156.352 170.592 90.6989 -175.77 223.313 228.723 139.516 -102.998 PRESSAVG: 3109200 63.7338 -62.7878 24.8296 -62.7878 -44.6925 41.7335 24.8296 41.7335 0.665445 GPRESSAVG: 3109200 62.4852 -66.4371 25.2735 -61.2001 -43.2537 40.8236 24.8453 43.1714 -0.266686 TIMING: 3109200 CPU: 9888.93, 0.00313298/step Wall: 9888.93, 0.00313298/step, 1.64551 hours remaining, 232.339844 MB of memory in use. ENERGY: 3109200 3927.8266 20506.5975 14548.9958 255.2329 -203554.1968 2601.9043 0.0000 0.0000 52333.1886 -109380.4510 300.7596 -161713.6397 -109010.8965 299.7488 -141.5751 -116.8688 759820.3131 6.5689 6.3216 PRESSURE: 3109400 188.345 135.296 82.4353 135.296 233.118 -40.9424 82.4362 -40.9419 429.814 GPRESSURE: 3109400 221.017 -59.6926 130.32 203.194 268.067 6.36442 -96.0545 -72.1667 449.873 PRESSAVG: 3109400 -6.3601 -7.99635 24.9873 -7.99639 -21.892 0.465388 24.9874 0.465376 -22.8895 GPRESSAVG: 3109400 -5.90406 -6.35299 26.8272 -11.2865 -21.5304 0.799359 24.1027 -0.181085 -23.5629 TIMING: 3109400 CPU: 9889.56, 0.00313568/step Wall: 9889.56, 0.00313568/step, 1.64676 hours remaining, 232.339844 MB of memory in use. ENERGY: 3109400 3955.8541 20491.8667 14427.1767 249.9291 -203638.7897 2849.7067 0.0000 0.0000 52193.9745 -109470.2819 299.9595 -161664.2564 -109102.0016 299.5944 283.7590 312.9858 759605.4764 -17.0472 -16.9991 PRESSURE: 3109600 -130.524 -79.668 193.424 -79.6676 -309.372 124.178 193.423 124.177 -2.13049 GPRESSURE: 3109600 -149.035 -2.64701 243.037 -160.917 -231.768 61.5792 96.6546 94.658 40.1065 PRESSAVG: 3109600 -2.26656 20.4476 40.8451 20.4476 -41.0356 24.4407 40.8452 24.4407 14.8229 GPRESSAVG: 3109600 -2.58614 22.4909 38.791 21.9383 -41.3359 24.9109 42.6234 22.9266 15.5249 TIMING: 3109600 CPU: 9890.19, 0.00313065/step Wall: 9890.19, 0.00313065/step, 1.64394 hours remaining, 232.339844 MB of memory in use. ENERGY: 3109600 3942.5524 20504.9258 14442.2659 249.2051 -203360.5240 2501.8683 0.0000 0.0000 52184.9989 -109534.7075 299.9079 -161719.7065 -109173.3221 299.2787 -147.3424 -113.5654 761170.6557 -9.4931 -9.4657 PRESSURE: 3109800 77.4426 63.6303 -51.1751 63.6299 -125.253 -222.116 -51.1765 -222.117 -152.868 GPRESSURE: 3109800 127.603 58.2126 -130.941 67.6247 -128.643 -187.146 -116.575 -159.175 -120.089 PRESSAVG: 3109800 26.1271 17.2475 39.384 17.2475 -15.9616 -12.3998 39.384 -12.3998 4.54539 GPRESSAVG: 3109800 27.3119 17.572 38.7412 15.8798 -18.1769 -12.847 38.4077 -11.0351 5.14806 TIMING: 3109800 CPU: 9890.81, 0.00310927/step Wall: 9890.81, 0.00310927/step, 1.63254 hours remaining, 232.339844 MB of memory in use. ENERGY: 3109800 3962.4589 20509.4795 14466.6132 256.3473 -203245.8214 2428.5226 0.0000 0.0000 52111.7053 -109510.6946 299.4867 -161622.3999 -109147.6955 299.3270 -66.8928 -40.3766 759271.2810 4.9036 4.7610 PRESSURE: 3110000 -211.138 162.044 -96.0284 162.044 -55.9968 -43.0614 -96.0277 -43.0619 -187.803 GPRESSURE: 3110000 -187.399 141.712 -94.9324 16.8917 -89.667 11.552 -41.1863 -82.1075 -99.4265 PRESSAVG: 3110000 43.1077 23.6775 6.88745 23.6776 -52.5823 -1.04976 6.88743 -1.04977 17.0225 GPRESSAVG: 3110000 42.7245 23.0462 7.25625 24.7598 -52.2382 -0.878937 7.78281 -2.2525 16.4739 TIMING: 3110000 CPU: 9891.43, 0.00310325/step Wall: 9891.43, 0.00310325/step, 1.62921 hours remaining, 232.339844 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: 3110000 3970.9823 20602.2547 14464.0249 250.5622 -203321.0231 2428.4662 0.0000 0.0000 52065.6629 -109539.0699 299.2221 -161604.7328 -109163.7665 299.1590 -151.6460 -125.4973 762174.3613 2.5160 2.3201 PRESSURE: 3110200 37.1695 105.082 82.3292 105.081 309.059 63.2108 82.3295 63.2117 225.362 GPRESSURE: 3110200 155.808 111.532 105.178 119.354 261.52 60.384 39.9394 83.0546 235.522 PRESSAVG: 3110200 65.1697 -11.5444 -11.193 -11.5445 -90.2902 16.8226 -11.193 16.8226 -3.06233 GPRESSAVG: 3110200 65.8918 -12.0792 -11.8714 -12.1306 -91.294 16.8308 -11.4313 18.1666 -3.14357 TIMING: 3110200 CPU: 9892.05, 0.00310161/step Wall: 9892.05, 0.00310161/step, 1.62817 hours remaining, 232.339844 MB of memory in use. ENERGY: 3110200 4027.3168 20563.1177 14408.7532 226.7188 -203639.4446 2710.4740 0.0000 0.0000 51960.7940 -109742.2702 298.6194 -161703.0642 -109375.3216 299.2695 190.5301 217.6168 759945.4566 -9.3943 -9.5152 PRESSURE: 3110400 127.578 -98.9754 85.5042 -98.9752 -81.1774 228.228 85.5045 228.228 12.3905 GPRESSURE: 3110400 155.31 -70.9716 71.5482 -112.642 -10.4631 168.568 264.201 173.114 -10.859 PRESSAVG: 3110400 18.0752 36.7664 38.626 36.7663 -20.1981 -46.2182 38.626 -46.2182 -20.3523 GPRESSAVG: 3110400 17.5793 35.532 40.2712 36.4577 -19.0083 -47.5903 38.7763 -47.9306 -20.5325 TIMING: 3110400 CPU: 9892.67, 0.0031106/step Wall: 9892.67, 0.0031106/step, 1.63272 hours remaining, 232.339844 MB of memory in use. ENERGY: 3110400 4032.8916 20387.1457 14481.0387 250.6806 -203098.7865 2299.7475 0.0000 0.0000 52002.1817 -109645.1007 298.8573 -161647.2823 -109277.6509 298.5907 19.5970 44.6627 760531.3469 -7.4917 -7.3205 PRESSURE: 3110600 -332.577 46.0511 191.38 46.0503 -83.7792 -137.251 191.381 -137.251 7.03224 GPRESSURE: 3110600 -191.308 40.075 99.4475 89.0289 -40.9116 -137.248 260.996 -86.9735 -69.4728 PRESSAVG: 3110600 -3.00524 -31.0733 3.24041 -31.0734 -8.03073 -56.877 3.24041 -56.8771 -13.2229 GPRESSAVG: 3110600 -1.76988 -29.8162 2.42768 -30.9734 -9.24774 -55.4775 3.21477 -57.5856 -13.042 TIMING: 3110600 CPU: 9893.29, 0.00311623/step Wall: 9893.29, 0.00311624/step, 1.6355 hours remaining, 232.339844 MB of memory in use. ENERGY: 3110600 4044.8320 20668.2062 14379.3797 263.8070 -203546.4049 2684.2841 0.0000 0.0000 51915.0937 -109590.8023 298.3568 -161505.8959 -109234.9376 298.8264 -136.4413 -100.5641 761877.4274 -8.0863 -8.0199 PRESSURE: 3110800 329.229 -0.925732 -65.5546 -0.925394 213.579 -185.308 -65.5545 -185.308 148.19 GPRESSURE: 3110800 273.858 -41.7327 -74.4436 50.4622 279.154 -118.784 -10.0139 -168.012 223.049 PRESSAVG: 3110800 33.8017 4.5848 -8.92334 4.58478 -20.2569 18.9295 -8.92335 18.9294 2.02549 GPRESSAVG: 3110800 31.5232 5.40653 -7.65809 3.4243 -18.182 20.3833 -8.80401 17.9318 2.22795 TIMING: 3110800 CPU: 9893.92, 0.00310833/step Wall: 9893.92, 0.00310833/step, 1.63118 hours remaining, 232.339844 MB of memory in use. ENERGY: 3110800 3913.8679 20509.5025 14490.3314 261.8813 -203849.2154 2972.8742 0.0000 0.0000 52020.6448 -109680.1133 298.9634 -161700.7581 -109327.3083 298.5366 230.3326 258.6872 760142.0139 5.1901 5.1897 PRESSURE: 3111000 6.94771 -64.3277 -136.881 -64.3268 -7.01679 121.823 -136.882 121.824 -92.8814 GPRESSURE: 3111000 82.712 -101.607 -160.172 -192.374 -4.38719 201.546 -43.0567 32.3101 -84.4708 PRESSAVG: 3111000 -0.768974 -1.56526 -20.8147 -1.56524 3.38024 -19.2933 -20.8147 -19.2933 -7.44134 GPRESSAVG: 3111000 -1.74234 -2.18863 -22.1273 0.644598 3.4596 -21.5323 -22.7745 -18.1085 -7.29631 TIMING: 3111000 CPU: 9894.54, 0.00312239/step Wall: 9894.54, 0.00312239/step, 1.63839 hours remaining, 232.339844 MB of memory in use. ENERGY: 3111000 3995.4378 20585.8918 14490.7623 245.3318 -203933.5390 2830.3827 0.0000 0.0000 52086.8896 -109698.8430 299.3441 -161785.7326 -109338.4663 299.4027 -30.9835 -2.0487 759906.0075 -1.6100 -1.8597 PRESSURE: 3111200 167.418 115.381 -123.893 115.38 13.5198 -248.812 -123.895 -248.812 -57.6502 GPRESSURE: 3111200 164.108 113.846 -131.594 115.785 -6.6431 -207.074 -137.203 -180.65 53.4068 PRESSAVG: 3111200 21.2746 17.6275 -0.85661 17.6276 -24.8396 -44.6412 -0.856616 -44.6412 12.3224 GPRESSAVG: 3111200 23.0657 18.3354 -0.418029 16.3884 -26.1559 -43.8184 -1.64256 -45.5469 11.8272 TIMING: 3111200 CPU: 9895.16, 0.00311188/step Wall: 9895.16, 0.00311188/step, 1.6327 hours remaining, 232.339844 MB of memory in use. ENERGY: 3111200 4017.1834 20720.6830 14496.8677 251.3076 -203985.8843 3010.0755 0.0000 0.0000 51756.5223 -109733.2449 297.4454 -161489.7671 -109388.4967 299.0983 41.0960 70.2907 760463.4665 2.9191 2.9124 PRESSURE: 3111400 -206.992 -87.4446 108.378 -87.445 168.804 -47.8434 108.377 -47.8429 -309.544 GPRESSURE: 3111400 -143.112 -135.71 -7.38998 -107.395 196.559 -78.5209 96.3661 -86.4418 -318.515 PRESSAVG: 3111400 -22.2172 9.61263 -26.7846 9.61262 33.2318 -33.1886 -26.7847 -33.1886 20.4176 GPRESSAVG: 3111400 -21.8596 8.91603 -27.804 9.12574 33.2505 -32.8471 -25.0305 -32.0998 20.0758 TIMING: 3111400 CPU: 9895.79, 0.00311345/step Wall: 9895.79, 0.00311345/step, 1.63335 hours remaining, 232.339844 MB of memory in use. ENERGY: 3111400 4035.4315 20740.8791 14404.6174 255.5400 -203862.1358 2815.0162 0.0000 0.0000 51923.3086 -109687.3431 298.4040 -161610.6517 -109328.1685 298.8044 -115.9108 -88.3559 760796.0213 10.4774 10.4889 PRESSURE: 3111600 379.919 66.3589 -297.562 66.359 152.261 -310.661 -297.561 -310.661 479.072 GPRESSURE: 3111600 418.195 -1.50298 -230.947 203.943 217.294 -302.669 -293.678 -290.124 462.175 PRESSAVG: 3111600 39.0869 -42.7354 -16.0322 -42.7353 -26.6999 -26.1835 -16.0322 -26.1835 -7.78757 GPRESSAVG: 3111600 37.2847 -42.7039 -15.6934 -42.125 -25.7326 -25.2038 -16.4504 -26.5816 -7.02073 TIMING: 3111600 CPU: 9896.41, 0.00310792/step Wall: 9896.41, 0.00310792/step, 1.63028 hours remaining, 232.339844 MB of memory in use. ENERGY: 3111600 3940.3525 20554.3190 14457.2276 241.3794 -203770.1278 2704.6857 0.0000 0.0000 52275.1996 -109596.9640 300.4263 -161872.1636 -109237.3909 298.8404 337.0841 365.8881 758537.1789 1.5331 1.5105 PRESSURE: 3111800 -67.2947 -82.0193 111.013 -82.0199 -341.086 192.034 111.014 192.033 -119.723 GPRESSURE: 3111800 -13.0467 -175.902 131.347 -121.285 -337.145 128.525 49.0965 157.846 -85.608 PRESSAVG: 3111800 6.48952 -7.11974 -29.1632 -7.11973 -3.51895 -33.9252 -29.1631 -33.9253 2.19028 GPRESSAVG: 3111800 6.18765 -6.42102 -29.2177 -6.39976 -4.10625 -34.3531 -28.9278 -34.7235 3.33799 TIMING: 3111800 CPU: 9897.03, 0.00311651/step Wall: 9897.03, 0.00311651/step, 1.63461 hours remaining, 232.339844 MB of memory in use. ENERGY: 3111800 4117.8156 20512.9940 14481.8134 238.6285 -203615.0984 2581.7036 0.0000 0.0000 52202.7880 -109479.3553 300.0101 -161682.1433 -109119.9355 299.6339 -176.0347 -145.2665 761283.4422 1.7203 1.8065 PRESSURE: 3112000 -131.897 -45.3248 -160.213 -45.3243 173.217 53.7699 -160.213 53.7693 158.267 GPRESSURE: 3112000 87.4848 -5.29951 -174.146 -60.0549 80.4843 95.7374 -89.0659 141.537 128.782 PRESSAVG: 3112000 -13.5557 -15.4576 -8.94255 -15.4577 -19.9661 -37.4517 -8.94258 -37.4516 4.08151 GPRESSAVG: 3112000 -11.3703 -15.0688 -8.18324 -17.5793 -20.729 -38.2211 -9.55255 -35.9478 2.7413 TIMING: 3112000 CPU: 9897.66, 0.00313505/step Wall: 9897.66, 0.00313505/step, 1.64416 hours remaining, 232.339844 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: 3112000 3937.4098 20459.3836 14498.7367 257.4630 -203391.3648 2479.5514 0.0000 0.0000 52036.4723 -109722.3480 299.0543 -161758.8202 -109357.9769 299.4987 66.5290 98.9169 759639.3680 -9.8134 -9.7860 PRESSURE: 3112200 240.84 -97.0096 -175.835 -97.0097 160.25 147.292 -175.834 147.291 -148.78 GPRESSURE: 3112200 216.757 -97.4826 -106.646 -77.2352 289.279 158.8 -159.914 209.661 -156.646 PRESSAVG: 3112200 2.58189 17.535 -8.8805 17.535 -11.2494 -19.6959 -8.88052 -19.6958 -15.799 GPRESSAVG: 3112200 1.66818 17.4507 -7.55019 20.2095 -10.2461 -19.9531 -9.70759 -17.1316 -16.0054 TIMING: 3112200 CPU: 9898.28, 0.00312759/step Wall: 9898.28, 0.00312759/step, 1.64007 hours remaining, 232.339844 MB of memory in use. ENERGY: 3112200 3988.8180 20589.3858 14462.9414 251.6213 -203467.4987 2625.6262 0.0000 0.0000 52049.8559 -109499.2501 299.1312 -161549.1061 -109148.2109 299.1486 84.1036 116.4629 760225.1297 -8.1555 -8.1944 LDB: ============= START OF LOAD BALANCING ============== 9910.7 LDB: ============== END OF LOAD BALANCING =============== 9910.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9910.7 LDB: ============= START OF LOAD BALANCING ============== 9911.01 LDB: Largest compute 7075 load 0.030615 is 15.6% of average load 0.195663 LDB: Average compute 0.004389 is 2.2% of average load 0.195663 LDB: TIME 9911.02 LOAD: AVG 0.195663 MAX 0.215915 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 9911.02 LOAD: AVG 0.195663 MAX 0.215915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 9911.02 LOAD: AVG 0.195663 MAX 0.215915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 9911.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9911.02 PRESSURE: 3112400 -199.193 -49.6471 260.463 -49.6474 -80.9844 122.489 260.463 122.489 -339.816 GPRESSURE: 3112400 -167.005 67.3154 187.91 -73.5397 -38.2023 109.752 350.154 165.19 -330.413 PRESSAVG: 3112400 33.8863 7.72887 34.2167 7.72884 -43.7135 -5.56405 34.2167 -5.56405 -10.2692 GPRESSAVG: 3112400 34.0492 8.20674 33.5771 7.06033 -43.7515 -5.80984 35.8068 -8.12382 -9.68873 TIMING: 3112400 CPU: 9898.92, 0.00317166/step Wall: 9898.92, 0.00317166/step, 1.663 hours remaining, 235.035156 MB of memory in use. ENERGY: 3112400 3925.0658 20581.9650 14579.1329 256.2123 -203271.1657 2221.7405 0.0000 0.0000 52099.0326 -109608.0165 299.4139 -161707.0491 -109239.8593 299.1265 -206.6646 -178.5399 760048.2846 -6.6988 -6.4637 PRESSURE: 3112600 326.133 -27.3403 -24.8237 -27.3402 -126.773 -202.593 -24.8245 -202.593 78.1592 GPRESSURE: 3112600 301.516 62.3528 -16.2076 30.1105 -144.94 -217.248 -72.2525 -184.786 184.092 PRESSAVG: 3112600 21.0535 -0.780039 -0.636924 -0.780054 25.8119 -37.2027 -0.636968 -37.2027 14.5399 GPRESSAVG: 3112600 22.9883 -0.855875 -3.13514 -0.0121348 24.7597 -38.2669 0.0334725 -36.1774 13.3881 TIMING: 3112600 CPU: 9899.54, 0.00312693/step Wall: 9899.54, 0.00312693/step, 1.63938 hours remaining, 235.238281 MB of memory in use. ENERGY: 3112600 4001.3916 20527.9299 14500.4931 249.8277 -203853.0342 2788.4640 0.0000 0.0000 52191.3657 -109593.5623 299.9445 -161784.9280 -109236.8675 299.1603 92.5066 113.5562 758178.3658 20.4685 20.3787 PRESSURE: 3112800 -283.129 69.5811 -44.6791 69.5814 -294.3 -125.538 -44.6786 -125.537 -157.731 GPRESSURE: 3112800 -268.625 21.7559 40.535 -95.6394 -249.274 -104.497 -36.2146 -94.1959 -117.602 PRESSAVG: 3112800 -44.9816 11.106 15.0959 11.106 43.9647 -33.0075 15.0959 -33.0076 18.2821 GPRESSAVG: 3112800 -46.1955 11.5914 15.259 9.25379 44.5193 -32.1303 15.9683 -33.8128 19.2179 TIMING: 3112800 CPU: 9900.17, 0.00311789/step Wall: 9900.17, 0.00311789/step, 1.63447 hours remaining, 235.238281 MB of memory in use. ENERGY: 3112800 4067.4724 20495.9228 14483.3019 224.3396 -202786.3748 2140.2312 0.0000 0.0000 51998.2712 -109376.8358 298.8348 -161375.1070 -109012.9707 300.1165 -245.0536 -211.8336 761204.9556 5.7551 5.8472 PRESSURE: 3113000 175.049 -116.829 276.984 -116.83 -194.774 -35.9759 276.983 -35.9767 62.3537 GPRESSURE: 3113000 161.807 -46.9271 268.146 -133.573 -70.5304 69.3709 296.1 53.7606 44.2683 PRESSAVG: 3113000 18.1341 -9.65909 -9.49655 -9.65909 4.11252 -23.4867 -9.49656 -23.4867 1.13046 GPRESSAVG: 3113000 17.7523 -7.43517 -9.42841 -7.58498 3.74497 -22.4075 -10.2806 -24.5584 1.24317 TIMING: 3113000 CPU: 9900.79, 0.0031202/step Wall: 9900.79, 0.0031202/step, 1.6355 hours remaining, 235.238281 MB of memory in use. ENERGY: 3113000 3946.2619 20561.0152 14400.8180 254.6979 -203633.0813 2822.3654 0.0000 0.0000 52195.9202 -109452.0027 299.9707 -161647.9229 -109092.8679 300.3192 14.2094 45.1816 760227.8125 7.7924 7.5802 PRESSURE: 3113200 -154.672 -152.635 49.0784 -152.636 187.645 -39.0691 49.0785 -39.0703 -234.104 GPRESSURE: 3113200 -121.136 -195.486 39.089 -119.822 172.247 14.224 121.601 -133.459 -179.702 PRESSAVG: 3113200 -10.9022 -25.0251 29.1207 -25.0251 48.5163 -26.5171 29.1207 -26.5171 16.4362 GPRESSAVG: 3113200 -10.5613 -26.5717 30.4221 -25.5171 48.382 -28.5864 28.3309 -27.206 16.1218 TIMING: 3113200 CPU: 9901.41, 0.00311692/step Wall: 9901.41, 0.00311692/step, 1.63361 hours remaining, 235.238281 MB of memory in use. ENERGY: 3113200 3988.5007 20472.9831 14498.6861 246.7443 -203320.2532 2285.6594 0.0000 0.0000 52263.1819 -109564.4977 300.3572 -161827.6796 -109195.4429 299.8271 -67.0437 -42.8634 760944.0087 18.0168 17.9808 PRESSURE: 3113400 -297.322 -191.047 -67.6321 -191.046 5.62764 -72.5921 -67.6318 -72.592 -359.102 GPRESSURE: 3113400 -268.253 -189.298 -12.2213 -149.205 110.489 -7.43881 -189.811 -23.074 -399.656 PRESSAVG: 3113400 -25.2516 15.1241 -4.21959 15.1241 37.8287 41.7479 -4.21955 41.7479 10.1543 GPRESSAVG: 3113400 -25.3077 16.5376 -3.43528 15.2895 38.0123 43.5681 -4.06524 42.1879 9.67191 TIMING: 3113400 CPU: 9902.04, 0.00311659/step Wall: 9902.04, 0.00311659/step, 1.63326 hours remaining, 235.238281 MB of memory in use. ENERGY: 3113400 3919.9582 20620.9553 14522.3296 240.4946 -203325.6715 2416.4274 0.0000 0.0000 51976.2813 -109629.2251 298.7084 -161605.5065 -109270.5777 299.4719 -216.9319 -185.8067 760558.7731 7.5771 7.4588 PRESSURE: 3113600 -6.44839 31.0464 160.513 31.0478 -258.939 146.566 160.513 146.565 218.096 GPRESSURE: 3113600 -22.8756 -17.5876 189.369 60.112 -114.573 271.539 97.5451 67.6864 182.098 PRESSAVG: 3113600 -31.7972 -8.37765 -5.73331 -8.37769 49.2168 19.9948 -5.73335 19.9949 -0.0781011 GPRESSAVG: 3113600 -32.1909 -7.82871 -6.38882 -9.31858 50.6929 21.1789 -5.87112 20.6228 -0.306297 TIMING: 3113600 CPU: 9902.66, 0.00312034/step Wall: 9902.66, 0.00312034/step, 1.63506 hours remaining, 235.238281 MB of memory in use. ENERGY: 3113600 3980.8293 20630.9897 14475.4545 247.7026 -203919.1336 2709.1802 0.0000 0.0000 52183.4802 -109691.4971 299.8992 -161874.9772 -109330.2791 299.2618 -15.7640 14.8829 759350.8107 5.7805 6.0652 PRESSURE: 3113800 71.2911 -305.972 84.1614 -305.972 6.85633 -247.543 84.1616 -247.543 107.324 GPRESSURE: 3113800 117.091 -292.369 -15.5255 -192.403 -2.7589 -149.839 37.5178 -120.167 144.827 PRESSAVG: 3113800 34.3918 6.42926 7.79947 6.42927 10.2849 42.8856 7.79951 42.8856 -7.48311 GPRESSAVG: 3113800 34.5901 4.95015 7.39429 6.89636 8.64316 41.7563 8.85609 43.3703 -6.34788 TIMING: 3113800 CPU: 9903.29, 0.00313888/step Wall: 9903.29, 0.00313888/step, 1.6446 hours remaining, 235.238281 MB of memory in use. ENERGY: 3113800 3899.0036 20396.6436 14552.2163 236.7889 -203199.2848 2622.8340 0.0000 0.0000 51868.1088 -109623.6897 298.0867 -161491.7985 -109264.2091 299.2899 61.8239 86.3865 760686.9667 12.3979 12.2951 PRESSURE: 3114000 -35.9378 232.549 131.317 232.55 346.455 -403.457 131.317 -403.457 -420.729 GPRESSURE: 3114000 -25.3254 253.349 142.364 171.911 333.085 -465.121 211.875 -311.946 -326.924 PRESSAVG: 3114000 -67.0304 -10.8351 24.4525 -10.8351 25.9107 9.70845 24.4525 9.70852 -26.941 GPRESSAVG: 3114000 -67.5184 -12.3969 24.7961 -11.4754 27.2513 8.66985 24.2292 9.16449 -27.8875 TIMING: 3114000 CPU: 9903.92, 0.00313098/step Wall: 9903.92, 0.00313098/step, 1.64029 hours remaining, 235.238281 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: 3114000 3951.6847 20391.6528 14510.6166 239.1420 -203830.6772 2771.6026 0.0000 0.0000 52182.4300 -109783.5485 299.8931 -161965.9785 -109423.7481 299.0925 -36.7375 -6.3883 761031.5751 -22.6869 -22.7182 PRESSURE: 3114200 -30.2695 -177.391 41.2575 -177.391 -237.852 159.677 41.2578 159.677 27.5733 GPRESSURE: 3114200 -52.668 -111.686 84.1557 -76.1367 -197.642 86.1399 17.7415 189.464 114.175 PRESSAVG: 3114200 -6.13097 -14.9573 24.9203 -14.9573 47.4465 22.121 24.9203 22.121 16.2485 GPRESSAVG: 3114200 -5.63418 -12.7117 25.2212 -14.6717 46.2804 21.8521 24.6218 23.3693 17.1555 TIMING: 3114200 CPU: 9904.54, 0.00313138/step Wall: 9904.54, 0.00313138/step, 1.64032 hours remaining, 235.238281 MB of memory in use. ENERGY: 3114200 3995.9500 20401.9104 14523.2420 238.6833 -203342.1468 2445.9067 0.0000 0.0000 51993.3271 -109743.1274 298.8064 -161736.4544 -109392.7741 298.8207 -80.1827 -45.3785 759943.0866 19.1880 19.2672 PRESSURE: 3114400 264.956 -111.043 -202.308 -111.042 135.251 80.9225 -202.308 80.9224 283.947 GPRESSURE: 3114400 244.932 -77.3786 -186.665 -87.1054 90.1959 -24.6638 -100.605 58.6769 435.806 PRESSAVG: 3114400 -19.6657 15.7894 39.1987 15.7894 -21.3751 -14.2882 39.1987 -14.2882 -0.778964 GPRESSAVG: 3114400 -19.6971 14.5856 37.5554 15.5485 -21.3079 -12.7105 40.2374 -17.3324 -1.47361 TIMING: 3114400 CPU: 9905.17, 0.0031207/step Wall: 9905.17, 0.0031207/step, 1.63455 hours remaining, 235.238281 MB of memory in use. ENERGY: 3114400 3937.1261 20577.0402 14451.4261 246.9178 -203749.4041 2756.4472 0.0000 0.0000 51779.8558 -110000.5910 297.5795 -161780.4467 -109635.1924 298.3858 228.0514 256.9781 760480.6574 -13.9399 -14.1595 PRESSURE: 3114600 -110.529 110.393 109.66 110.392 32.4323 -139.117 109.66 -139.116 -361.336 GPRESSURE: 3114600 -100.85 70.3283 115.878 91.3475 89.7169 -172.236 116.196 -137.915 -342.194 PRESSAVG: 3114600 15.9179 -68.1308 1.12668 -68.1309 15.9924 -12.4204 1.12667 -12.4205 -16.1982 GPRESSAVG: 3114600 16.3329 -68.8089 0.363619 -67.4455 16.1656 -13.2595 1.67685 -10.9783 -16.7704 TIMING: 3114600 CPU: 9905.79, 0.00312614/step Wall: 9905.79, 0.00312614/step, 1.63723 hours remaining, 235.238281 MB of memory in use. ENERGY: 3114600 4040.3912 20666.4477 14507.7198 264.0503 -203626.0133 2515.1229 0.0000 0.0000 51566.5847 -110065.6967 296.3539 -161632.2814 -109703.5629 298.5509 -146.4776 -117.7757 761389.8911 5.2374 5.2427 PRESSURE: 3114800 -345.372 -77.6175 114.538 -77.6175 -356.087 -129.222 114.539 -129.223 216.943 GPRESSURE: 3114800 -328.757 6.36255 153.528 -91.1476 -261.844 -150.07 84.926 -174.251 190.105 PRESSAVG: 3114800 -4.81139 -67.3497 35.6454 -67.3497 -35.5696 -34.5319 35.6454 -34.5319 -3.00504 GPRESSAVG: 3114800 -3.8944 -65.7395 36.0711 -67.7437 -36.8082 -34.2362 34.8024 -35.9382 -3.10644 TIMING: 3114800 CPU: 9906.42, 0.00314714/step Wall: 9906.42, 0.00314714/step, 1.64805 hours remaining, 235.238281 MB of memory in use. ENERGY: 3114800 4048.0237 20434.3001 14515.7441 239.6801 -203533.8940 2458.0693 0.0000 0.0000 51826.4926 -110011.5840 297.8476 -161838.0766 -109651.7351 298.2878 -161.5056 -133.4989 760835.6589 -14.4620 -14.6030 PRESSURE: 3115000 -323.232 -84.4884 160.067 -84.4882 -20.2476 -109.631 160.067 -109.63 -13.1671 GPRESSURE: 3115000 -296.44 -67.2547 124.523 9.30163 7.91655 -114.467 138.931 -103.102 4.37061 PRESSAVG: 3115000 -4.02645 -102.812 -14.7708 -102.812 -2.62705 -36.6604 -14.7707 -36.6603 -4.79725 GPRESSAVG: 3115000 -5.15391 -103.314 -11.6628 -103.852 -1.40357 -37.0431 -14.3975 -34.8068 -4.78757 TIMING: 3115000 CPU: 9907.05, 0.00312621/step Wall: 9907.05, 0.00312621/step, 1.63692 hours remaining, 235.238281 MB of memory in use. ENERGY: 3115000 3914.6769 20541.8799 14434.6664 261.6148 -203260.5267 2194.7041 0.0000 0.0000 51820.7736 -110092.2109 297.8147 -161912.9846 -109733.9152 297.9644 -118.8824 -94.7176 760853.6511 -3.8169 -3.7817 PRESSURE: 3115200 -260.778 -191.271 105.853 -191.271 -316.677 159.318 105.854 159.318 76.3153 GPRESSURE: 3115200 -166.337 -150.183 126.085 -120.232 -348.726 204.876 -71.0679 101.092 100.019 PRESSAVG: 3115200 10.0361 -60.3104 66.8204 -60.3104 -15.7555 -55.4478 66.8203 -55.4477 3.95885 GPRESSAVG: 3115200 11.5373 -59.306 64.2589 -59.0594 -18.22 -56.0379 65.4819 -54.924 4.5004 TIMING: 3115200 CPU: 9907.67, 0.0031158/step Wall: 9907.67, 0.0031158/step, 1.6313 hours remaining, 235.238281 MB of memory in use. ENERGY: 3115200 3973.2656 20478.7184 14452.1762 270.3798 -203315.5189 2335.2514 0.0000 0.0000 51971.2923 -109834.4351 298.6797 -161805.7274 -109475.6936 297.6491 -167.0464 -138.3480 760795.6266 -0.5868 -0.7274 PRESSURE: 3115400 -142.259 39.7834 -70.4357 39.7832 -203.374 -13.2364 -70.4366 -13.2358 -152.111 GPRESSURE: 3115400 -193.507 26.5089 -47.6679 111.888 -89.6959 -9.05331 -65.3329 -35.1588 -139.491 PRESSAVG: 3115400 -4.01933 -66.634 15.3241 -66.634 6.71362 16.061 15.3241 16.061 5.40579 GPRESSAVG: 3115400 -4.99694 -64.6553 16.1731 -66.51 7.94934 15.6293 17.35 16.4177 5.56534 TIMING: 3115400 CPU: 9908.29, 0.00312356/step Wall: 9908.29, 0.00312356/step, 1.63518 hours remaining, 235.238281 MB of memory in use. ENERGY: 3115400 3986.6157 20420.7227 14464.1429 250.7678 -203392.3282 2625.0424 0.0000 0.0000 51911.0950 -109733.9417 298.3338 -161645.0367 -109368.1413 298.2263 -165.9148 -140.8978 762457.3793 2.7000 2.8392 PRESSURE: 3115600 -11.5515 -55.1589 169.067 -55.1595 9.14375 -129.622 169.066 -129.621 36.8061 GPRESSURE: 3115600 50.194 -40.1249 240.826 -97.9591 69.3148 -110.106 65.6924 -114.775 18.0403 PRESSAVG: 3115600 -35.0018 -17.1784 23.2151 -17.1784 7.18637 25.2265 23.2152 25.2265 4.4788 GPRESSAVG: 3115600 -36.5559 -21.2722 22.9719 -14.4498 7.49233 26.3376 25.3724 23.4593 5.37027 TIMING: 3115600 CPU: 9908.92, 0.0031369/step Wall: 9908.92, 0.0031369/step, 1.64199 hours remaining, 235.238281 MB of memory in use. ENERGY: 3115600 3928.1784 20477.4129 14460.7667 248.3390 -204149.5887 3031.1635 0.0000 0.0000 52318.4428 -109685.2854 300.6748 -162003.7282 -109326.1881 298.5368 11.4661 45.8497 760992.5546 -7.7789 -7.8978 PRESSURE: 3115800 -299.145 -31.8375 -248.843 -31.8385 27.3555 8.81475 -248.842 8.81444 415.074 GPRESSURE: 3115800 -229.087 -57.6845 -311.553 4.4281 77.3298 41.3868 -330.806 107.911 401.447 PRESSAVG: 3115800 35.6469 -57.0604 19.4908 -57.0605 -40.3432 12.3576 19.4908 12.3575 -4.18797 GPRESSAVG: 3115800 38.0996 -55.7161 18.2117 -60.0437 -42.1603 12.4875 17.1063 13.2018 -4.93668 TIMING: 3115800 CPU: 9909.55, 0.00313568/step Wall: 9909.55, 0.00313568/step, 1.64118 hours remaining, 235.238281 MB of memory in use. ENERGY: 3115800 3976.2540 20293.2098 14514.1472 246.8430 -203031.4297 2243.5757 0.0000 0.0000 52076.1776 -109681.2224 299.2825 -161757.4000 -109312.1955 299.0067 47.7614 83.2301 761181.7106 -2.9614 -2.9991 PRESSURE: 3116000 -37.5176 43.5799 -24.9106 43.5789 218.467 -35.5007 -24.9108 -35.5005 -130.973 GPRESSURE: 3116000 -31.2496 1.73541 6.35794 -61.6063 213.51 -39.5262 -110.253 16.8297 -46.2078 PRESSAVG: 3116000 6.33878 -7.6236 -46.4889 -7.62364 -4.65076 27.3393 -46.4887 27.3393 -1.06799 GPRESSAVG: 3116000 5.47543 -6.11483 -44.9097 -8.91889 -4.05399 28.3054 -47.9075 28.1307 -0.922151 TIMING: 3116000 CPU: 9910.17, 0.00311861/step Wall: 9910.17, 0.00311861/step, 1.63207 hours remaining, 235.238281 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: 3116000 4013.8958 20585.0010 14502.7761 244.1941 -203233.1048 2356.2689 0.0000 0.0000 52051.9456 -109479.0233 299.1432 -161530.9689 -109122.1394 298.7134 16.6589 45.3508 760607.9389 0.2067 0.1664 PRESSURE: 3116200 34.8732 -79.0943 -14.3904 -79.0951 -17.0663 59.1483 -14.3911 59.1482 -26.8435 GPRESSURE: 3116200 84.9972 -59.9356 -106.815 -100.186 -36.1208 65.351 -34.2223 -63.0205 8.20556 PRESSAVG: 3116200 -61.6498 -16.9323 -2.1257 -16.9323 41.7408 24.0513 -2.12565 24.0514 22.1701 GPRESSAVG: 3116200 -62.3154 -18.4266 -3.38123 -14.3559 42.6143 23.6748 -0.985453 22.4707 22.249 TIMING: 3116200 CPU: 9910.8, 0.00312186/step Wall: 9910.8, 0.00312186/step, 1.6336 hours remaining, 235.238281 MB of memory in use. ENERGY: 3116200 3976.7593 20435.4897 14557.8395 237.1647 -203064.1032 2458.0100 0.0000 0.0000 51737.8374 -109661.0028 297.3381 -161398.8401 -109298.6598 298.8583 -3.0122 19.0273 760691.0178 0.7537 0.8493 LDB: ============= START OF LOAD BALANCING ============== 9923.21 LDB: ============== END OF LOAD BALANCING =============== 9923.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9923.22 LDB: ============= START OF LOAD BALANCING ============== 9923.53 LDB: Largest compute 6995 load 0.028727 is 14.7% of average load 0.195569 LDB: Average compute 0.004388 is 2.2% of average load 0.195569 LDB: TIME 9923.53 LOAD: AVG 0.195569 MAX 0.216462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 9923.53 LOAD: AVG 0.195569 MAX 0.216462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 9923.53 LOAD: AVG 0.195569 MAX 0.216462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 9923.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9923.54 PRESSURE: 3116400 -531.989 33.0447 302.296 33.0444 -252.182 -25.7989 302.298 -25.8003 170.58 GPRESSURE: 3116400 -509.095 77.9514 340.483 -44.032 -121.049 -48.6191 6.6851 56.6027 94.4268 PRESSAVG: 3116400 -52.4673 -40.8222 2.59448 -40.8222 50.5574 -48.915 2.59441 -48.9151 12.8497 GPRESSAVG: 3116400 -51.9979 -39.1043 2.78911 -44.1104 50.2187 -48.6755 -0.383017 -49.1855 13.3214 TIMING: 3116400 CPU: 9911.43, 0.00317712/step Wall: 9911.43, 0.00317712/step, 1.66234 hours remaining, 232.593750 MB of memory in use. ENERGY: 3116400 4004.5814 20455.6807 14534.1698 240.3934 -203241.1001 2207.8605 0.0000 0.0000 52180.6577 -109617.7566 299.8830 -161798.4143 -109262.8411 298.7686 -204.5304 -178.5724 760372.5449 3.6466 3.8474 PRESSURE: 3116600 -139.558 -65.8951 -52.045 -65.8944 383.617 205.382 -52.0461 205.383 -195.947 GPRESSURE: 3116600 -72.8146 -50.4582 6.90719 -19.3233 337.383 255.591 107.019 228.984 -141.87 PRESSAVG: 3116600 10.4035 17.0493 29.819 17.0493 23.7451 -13.3387 29.8189 -13.3387 4.02661 GPRESSAVG: 3116600 9.6031 17.98 30.8891 19.2596 24.506 -14.2507 29.8485 -10.6429 3.70216 TIMING: 3116600 CPU: 9912.05, 0.00310728/step Wall: 9912.05, 0.00310728/step, 1.62562 hours remaining, 232.593750 MB of memory in use. ENERGY: 3116600 4031.5430 20323.5965 14572.0224 255.9153 -203740.6104 2948.4647 0.0000 0.0000 51674.4714 -109934.5971 296.9739 -161609.0685 -109574.6143 298.6248 16.0374 40.8995 759733.8781 12.7251 12.6038 PRESSURE: 3116800 -170.841 -163.22 51.9204 -163.22 -242.696 -135.993 51.9205 -135.994 -148.459 GPRESSURE: 3116800 -173.563 -242.974 113.392 -203.256 -165.324 -99.048 143.241 -152.747 -113.633 PRESSAVG: 3116800 -55.819 -3.59296 -30.0118 -3.59297 54.509 44.2705 -30.0118 44.2705 20.4482 GPRESSAVG: 3116800 -55.2179 -6.77758 -29.2421 -2.56571 54.4023 44.4989 -28.0367 42.4632 20.517 TIMING: 3116800 CPU: 9912.68, 0.00313187/step Wall: 9912.68, 0.00313187/step, 1.63832 hours remaining, 232.593750 MB of memory in use. ENERGY: 3116800 4036.0411 20311.5018 14522.9222 244.0156 -203423.7813 2482.5374 0.0000 0.0000 51892.4177 -109934.3455 298.2264 -161826.7632 -109566.4374 298.2385 -187.3323 -150.8400 758728.7791 6.3794 6.5671 PRESSURE: 3117000 191.273 46.078 59.9613 46.0792 231.02 259.159 59.9607 259.156 24.8518 GPRESSURE: 3117000 314.475 108.803 -25.6646 105.964 230.338 219.689 61.2364 202.904 3.10952 PRESSAVG: 3117000 -4.31688 -50.4953 -30.4654 -50.4953 15.8845 3.82873 -30.4653 3.82873 6.40025 GPRESSAVG: 3117000 -3.68767 -50.28 -31.9577 -52.364 14.5837 5.87241 -30.701 4.47339 6.26164 TIMING: 3117000 CPU: 9913.31, 0.00313573/step Wall: 9913.31, 0.00313573/step, 1.64016 hours remaining, 232.593750 MB of memory in use. ENERGY: 3117000 3896.7094 20264.1019 14455.4452 249.3884 -203812.9028 2878.8630 0.0000 0.0000 52074.8491 -109993.5458 299.2749 -162068.3948 -109620.8490 298.3910 149.0485 182.6410 760454.5018 5.9893 5.7192 PRESSURE: 3117200 -250.476 46.288 -217.072 46.2874 246.085 -34.6499 -217.072 -34.6494 -199.825 GPRESSURE: 3117200 -217.141 14.7954 -294.995 32.8234 242.62 -51.8378 -117.483 -120.518 -138.297 PRESSAVG: 3117200 -8.21705 -62.9275 -22.7864 -62.9275 35.6066 -10.7293 -22.7864 -10.7294 -11.0228 GPRESSAVG: 3117200 -9.47828 -61.9645 -22.0301 -61.4551 37.1271 -12.3154 -23.1233 -13.3817 -11.1504 TIMING: 3117200 CPU: 9913.93, 0.00312048/step Wall: 9913.93, 0.00312048/step, 1.63201 hours remaining, 232.593750 MB of memory in use. ENERGY: 3117200 3969.2425 20351.4902 14498.2062 245.0276 -203512.8609 2748.1388 0.0000 0.0000 52143.4168 -109557.3387 299.6689 -161700.7555 -109194.1430 298.5064 -68.0721 -37.6061 761645.4669 5.4556 5.4995 PRESSURE: 3117400 58.2176 193.947 -193.113 193.948 124.207 -51.9882 -193.114 -51.9889 -46.8903 GPRESSURE: 3117400 142.932 243.912 -174.961 84.9255 182.374 38.516 -273.326 20.277 -130.156 PRESSAVG: 3117400 -34.1642 -28.0786 -103.655 -28.0787 40.8767 26.8838 -103.655 26.8838 -23.9824 GPRESSAVG: 3117400 -33.0626 -26.3638 -103.303 -28.2291 40.8585 28.0671 -102.999 30.4382 -24.7805 TIMING: 3117400 CPU: 9914.56, 0.00312525/step Wall: 9914.56, 0.00312524/step, 1.63433 hours remaining, 232.593750 MB of memory in use. ENERGY: 3117400 3868.4488 20589.3060 14560.0926 238.5529 -202984.0577 2542.9708 0.0000 0.0000 51819.0802 -109365.6064 297.8050 -161184.6866 -109005.5181 298.8296 45.1781 65.0499 761087.0607 -5.7566 -5.6615 PRESSURE: 3117600 -271.257 80.5824 178.354 80.5817 -133.601 -54.738 178.354 -54.7389 -578.973 GPRESSURE: 3117600 -291.439 69.2574 172.674 47.2484 -122.313 -28.9756 185.84 12.6168 -491.599 PRESSAVG: 3117600 -9.28942 -2.26201 -24.608 -2.26201 -16.9296 -5.8193 -24.6081 -5.81931 -3.10816 GPRESSAVG: 3117600 -10.9183 -3.28121 -25.2008 -3.37152 -16.6734 -6.00095 -25.5341 -8.91711 -2.49158 TIMING: 3117600 CPU: 9915.18, 0.00312844/step Wall: 9915.18, 0.00312844/step, 1.63582 hours remaining, 232.593750 MB of memory in use. ENERGY: 3117600 3979.8135 20497.2960 14508.3140 256.4523 -203050.6490 2280.8897 0.0000 0.0000 52215.2845 -109312.5991 300.0820 -161527.8835 -108958.5037 299.1519 -327.9439 -301.7834 761714.7195 -9.7757 -10.0278 PRESSURE: 3117800 0.487576 185.615 68.4823 185.615 -222.679 -42.0003 68.4824 -42.0006 -30.1349 GPRESSURE: 3117800 29.467 138.767 107.13 296.169 -147.752 -59.7443 -26.1453 -107.398 -53.652 PRESSAVG: 3117800 -9.06166 -53.4516 -7.70396 -53.4516 3.23323 3.09456 -7.70403 3.09456 -11.1529 GPRESSAVG: 3117800 -7.17155 -53.0624 -7.17051 -53.6116 2.73822 2.70624 -5.90168 5.40705 -12.4013 TIMING: 3117800 CPU: 9915.81, 0.00312573/step Wall: 9915.81, 0.00312573/step, 1.63424 hours remaining, 232.593750 MB of memory in use. ENERGY: 3117800 4010.6996 20453.9952 14540.2676 266.3127 -203182.1685 2408.4816 0.0000 0.0000 52149.7420 -109352.6699 299.7053 -161502.4118 -108979.7248 299.2912 -84.1087 -57.3124 760697.8771 -5.6604 -5.6115 PRESSURE: 3118000 155.405 -114.914 -31.8549 -114.914 -208.327 105.861 -31.8548 105.862 -385.921 GPRESSURE: 3118000 92.1352 -93.8359 -38.5874 -190.24 -120.165 105.354 -34.2065 -21.4046 -342.402 PRESSAVG: 3118000 8.05593 8.53468 -46.9089 8.53475 35.7476 0.872883 -46.9089 0.872896 -9.77542 GPRESSAVG: 3118000 7.6914 8.53663 -46.9093 7.81499 35.9322 0.260892 -49.5312 -1.98744 -9.44227 TIMING: 3118000 CPU: 9916.43, 0.00311482/step Wall: 9916.43, 0.00311482/step, 1.62836 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3118000 4003.9862 20425.5415 14508.8265 266.6159 -203383.8743 2382.0761 0.0000 0.0000 52323.4700 -109473.3581 300.7037 -161796.8281 -109103.9994 300.1905 -146.2811 -123.4774 760545.8581 11.3427 11.3938 PRESSURE: 3118200 -246.052 147.625 -196.344 147.626 -502.043 -118.99 -196.343 -118.991 42.2091 GPRESSURE: 3118200 -142.835 141.666 -137.963 203.814 -494.852 -106.421 -228.918 -92.5377 37.8094 PRESSAVG: 3118200 17.0796 -39.1409 10.1706 -39.1408 -37.0016 -4.12774 10.1705 -4.12781 -12.2099 GPRESSAVG: 3118200 17.5244 -41.2454 10.8186 -37.3307 -37.4228 -3.77959 11.1293 -1.59023 -12.2057 TIMING: 3118200 CPU: 9917.05, 0.00312495/step Wall: 9917.05, 0.00312495/step, 1.63348 hours remaining, 232.593750 MB of memory in use. ENERGY: 3118200 3975.9222 20652.6944 14453.6387 240.1965 -202847.7807 2033.6108 0.0000 0.0000 52065.6995 -109426.0185 299.2223 -161491.7180 -109064.7160 299.2862 -235.2955 -199.9593 761014.0756 -10.7106 -10.7014 PRESSURE: 3118400 -187.896 -281.552 43.206 -281.551 55.2696 -215.793 43.2059 -215.793 -636.449 GPRESSURE: 3118400 -115.822 -382.853 -32.058 -293.502 -52.3187 -87.4281 46.0233 -144.145 -518.682 PRESSAVG: 3118400 -42.849 -86.3042 -32.9061 -86.3043 -10.1694 7.35918 -32.906 7.3592 -25.9875 GPRESSAVG: 3118400 -43.7049 -84.7029 -33.8095 -87.3546 -9.3633 7.21854 -31.7742 7.85597 -25.7119 TIMING: 3118400 CPU: 9917.68, 0.00313317/step Wall: 9917.68, 0.00313317/step, 1.6376 hours remaining, 232.593750 MB of memory in use. ENERGY: 3118400 3973.4526 20496.6401 14524.7507 245.7424 -203042.6938 2319.2396 0.0000 0.0000 52020.7622 -109462.1062 298.9640 -161482.8684 -109101.5814 299.0660 -256.3583 -228.9412 760936.7951 -26.3353 -26.2600 PRESSURE: 3118600 191.043 12.9247 -310.101 12.9248 -106.492 16.5426 -310.101 16.5423 -25.2771 GPRESSURE: 3118600 220.547 -67.0696 -179.451 -25.3935 -59.3657 101.339 -214.563 -164.608 -8.77445 PRESSAVG: 3118600 66.7835 14.105 -43.1114 14.105 -19.0126 -54.7266 -43.1114 -54.7267 -22.6605 GPRESSAVG: 3118600 67.3736 12.7792 -43.1259 12.8684 -19.3187 -55.4756 -43.3545 -54.0546 -22.924 TIMING: 3118600 CPU: 9918.3, 0.00311227/step Wall: 9918.3, 0.00311227/step, 1.6265 hours remaining, 232.593750 MB of memory in use. ENERGY: 3118600 3942.5392 20541.0377 14487.4769 229.2108 -203425.8442 2542.1969 0.0000 0.0000 52103.3990 -109579.9836 299.4389 -161683.3826 -109223.0374 299.4978 19.7582 50.8022 760580.9298 8.3701 8.3770 PRESSURE: 3118800 156.75 -72.1147 234.758 -72.1138 -109.583 -18.3956 234.758 -18.3956 45.9081 GPRESSURE: 3118800 230.301 -26.0557 247.54 -57.2808 -60.0124 -53.2746 141.275 -7.95216 6.7425 PRESSAVG: 3118800 -35.8311 -36.7831 2.11671 -36.783 10.0912 -38.8703 2.11673 -38.8702 13.4052 GPRESSAVG: 3118800 -36.3053 -33.2321 2.97328 -38.3612 9.51454 -39.3957 1.60918 -41.2393 14.0263 TIMING: 3118800 CPU: 9918.93, 0.0031231/step Wall: 9918.93, 0.0031231/step, 1.63199 hours remaining, 232.593750 MB of memory in use. ENERGY: 3118800 4014.1674 20362.7503 14503.5663 259.1407 -203586.9331 2621.4443 0.0000 0.0000 51965.4623 -109860.4018 298.6462 -161825.8641 -109502.2697 297.8722 31.0251 59.0104 761841.6350 -4.1116 -4.2548 PRESSURE: 3119000 -47.5345 -100.146 -194.891 -100.146 362.955 -81.6529 -194.891 -81.6533 179.489 GPRESSURE: 3119000 47.9417 -107.053 -141.499 -64.1347 349.742 11.4181 -164.114 -126.348 198.46 PRESSAVG: 3119000 6.65376 -18.7256 -1.69764 -18.7256 -41.0129 -4.98655 -1.69762 -4.98659 11.5406 GPRESSAVG: 3119000 7.7905 -22.1953 -1.37916 -16.5805 -40.8369 -3.52844 -1.59795 -3.67078 11.2822 TIMING: 3119000 CPU: 9919.55, 0.003125/step Wall: 9919.55, 0.003125/step, 1.63281 hours remaining, 232.593750 MB of memory in use. ENERGY: 3119000 3941.4469 20642.0064 14548.7271 255.4261 -203826.4544 2609.7014 0.0000 0.0000 52060.7369 -109768.4096 299.1938 -161829.1465 -109413.1599 298.4394 164.9697 198.7149 759979.0181 -7.6062 -7.2548 PRESSURE: 3119200 180.182 287.628 107.462 287.629 -143.828 216.497 107.462 216.496 186.908 GPRESSURE: 3119200 181.121 253.297 222.275 367.176 -62.5266 281.81 7.9333 74.9575 179.584 PRESSAVG: 3119200 36.8712 -40.3934 -33.1833 -40.3933 -14.0814 -9.99242 -33.1833 -9.99244 9.20737 GPRESSAVG: 3119200 36.7333 -38.9799 -35.2209 -39.3015 -14.3422 -10.296 -32.4288 -9.18425 8.91339 TIMING: 3119200 CPU: 9920.18, 0.00312353/step Wall: 9920.18, 0.00312353/step, 1.63187 hours remaining, 232.593750 MB of memory in use. ENERGY: 3119200 3967.2355 20464.6860 14468.2022 237.9611 -203909.4749 2906.4095 0.0000 0.0000 52092.8401 -109772.1404 299.3783 -161864.9805 -109405.4449 298.9423 74.4208 99.3930 761232.0479 10.6657 10.4348 PRESSURE: 3119400 122.661 -22.363 26.6491 -22.3625 -260.99 329.492 26.6484 329.491 0.620577 GPRESSURE: 3119400 173.841 28.3265 19.8632 -23.5246 -188.576 244.647 57.2129 292.78 -16.4583 PRESSAVG: 3119400 37.2662 -18.0316 -24.5753 -18.0315 -19.2636 -4.36191 -24.5753 -4.36192 -22.2133 GPRESSAVG: 3119400 36.034 -18.4959 -23.4905 -19.2236 -19.3077 -4.94395 -23.0769 -6.17035 -21.3388 TIMING: 3119400 CPU: 9920.8, 0.00313079/step Wall: 9920.8, 0.00313079/step, 1.63549 hours remaining, 232.593750 MB of memory in use. ENERGY: 3119400 4017.8657 20353.2665 14516.1986 242.2052 -203600.6718 2690.4133 0.0000 0.0000 52005.4511 -109775.2714 298.8760 -161780.7225 -109418.8156 298.7162 -45.9030 -10.3976 761474.1604 -1.4036 -1.5375 PRESSURE: 3119600 -130.489 -180.553 245.257 -180.552 -65.9829 -258.541 245.257 -258.54 167.378 GPRESSURE: 3119600 -106.952 -176.822 230.119 -246.068 -11.4142 -251.768 87.33 -261.518 199.52 PRESSAVG: 3119600 -37.6272 -34.9477 3.52064 -34.9477 9.48711 -38.5924 3.52059 -38.5924 12.6433 GPRESSAVG: 3119600 -37.2082 -34.9725 3.19783 -35.3417 9.40198 -38.8209 1.45209 -36.2559 13.0543 TIMING: 3119600 CPU: 9921.43, 0.00313325/step Wall: 9921.43, 0.00313325/step, 1.6366 hours remaining, 232.593750 MB of memory in use. ENERGY: 3119600 3943.8390 20439.9783 14504.0936 248.7924 -203561.1185 2363.6094 0.0000 0.0000 52029.0675 -110031.7383 299.0118 -162060.8057 -109674.6678 298.1214 -9.6981 27.0512 759939.1375 -5.1656 -4.9173 PRESSURE: 3119800 180.247 -302.212 -154.379 -302.213 -141.216 -123.622 -154.38 -123.622 -102.599 GPRESSURE: 3119800 203.464 -211.922 -178.032 -214.409 -130.351 -163.445 -96.8394 -66.5215 -65.2731 PRESSAVG: 3119800 -27.1559 -23.1186 23.0172 -23.1186 12.8283 2.39481 23.0171 2.3949 21.1773 GPRESSAVG: 3119800 -27.2114 -23.2045 22.2755 -22.9265 13.4938 0.864573 23.1386 1.30257 20.3895 TIMING: 3119800 CPU: 9922.06, 0.00312274/step Wall: 9922.06, 0.00312274/step, 1.63094 hours remaining, 232.593750 MB of memory in use. ENERGY: 3119800 3991.1570 20481.2394 14461.1127 252.6750 -203588.4415 2471.6082 0.0000 0.0000 52173.0362 -109757.6129 299.8392 -161930.6492 -109408.1727 298.4146 -21.1893 2.6132 759251.0872 2.2832 2.2240 PRESSURE: 3120000 -25.7794 291.335 5.16613 291.336 -219.163 -51.7763 5.16671 -51.7763 193.613 GPRESSURE: 3120000 5.76146 289.664 11.052 274.961 -182.415 -73.6214 -114.374 84.63 208.837 PRESSAVG: 3120000 7.53017 -11.5181 -34.2328 -11.518 -8.36123 -51.2814 -34.2327 -51.2814 5.64301 GPRESSAVG: 3120000 8.98054 -11.1277 -32.7309 -9.2265 -9.41286 -49.9073 -33.3179 -50.4466 5.33159 TIMING: 3120000 CPU: 9922.68, 0.00312446/step Wall: 9922.68, 0.00312446/step, 1.63166 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3120000 3985.2788 20618.4873 14537.8136 252.1428 -203486.7832 2584.9774 0.0000 0.0000 51982.9552 -109525.1281 298.7468 -161508.0833 -109172.7086 299.1803 -17.1097 10.7278 760771.5552 1.6040 1.6331 PRESSURE: 3120200 244.684 -144.388 -69.6144 -144.388 13.0244 -125.494 -69.6136 -125.495 -395.21 GPRESSURE: 3120200 268.986 -127.665 -102.021 -125.389 17.4784 -190.842 -53.4495 -152.726 -348.262 PRESSAVG: 3120200 -66.6386 2.70962 5.18567 2.70962 22.8598 -42.603 5.1857 -42.6029 12.6894 GPRESSAVG: 3120200 -66.2423 3.40553 5.93482 2.11585 22.3191 -42.0905 3.45733 -43.0895 12.8736 TIMING: 3120200 CPU: 9923.31, 0.00312375/step Wall: 9923.31, 0.00312375/step, 1.63112 hours remaining, 232.593750 MB of memory in use. ENERGY: 3120200 3963.1386 20619.3304 14568.2902 238.2029 -203303.0583 2621.2819 0.0000 0.0000 52029.7769 -109263.0375 299.0158 -161292.8144 -108892.5842 299.3934 -45.8340 -20.5992 761822.4764 -10.3631 -10.3499 LDB: ============= START OF LOAD BALANCING ============== 9935.72 LDB: ============== END OF LOAD BALANCING =============== 9935.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9935.73 LDB: ============= START OF LOAD BALANCING ============== 9936.04 LDB: Largest compute 7076 load 0.029219 is 14.9% of average load 0.195583 LDB: Average compute 0.004400 is 2.2% of average load 0.195583 LDB: TIME 9936.04 LOAD: AVG 0.195583 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.738 MB LDB: TIME 9936.04 LOAD: AVG 0.195583 MAX 0.216331 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 9936.04 LOAD: AVG 0.195583 MAX 0.216331 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 9936.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9936.05 PRESSURE: 3120400 -96.9088 -17.3091 123.685 -17.3097 -19.862 34.7596 123.685 34.7594 254.04 GPRESSURE: 3120400 -157.129 -161.63 159.378 33.903 98.4789 -4.5334 305.421 -8.79757 290.091 PRESSAVG: 3120400 -9.02452 17.0398 0.409429 17.0398 53.3064 -40.4666 0.409425 -40.4666 14.2826 GPRESSAVG: 3120400 -10.925 18.2281 -1.22815 13.5289 54.9754 -41.953 2.11792 -41.1827 14.642 TIMING: 3120400 CPU: 9923.94, 0.00319903/step Wall: 9923.94, 0.00319903/step, 1.67025 hours remaining, 234.136719 MB of memory in use. ENERGY: 3120400 3900.2336 20627.0284 14493.7758 251.8997 -203133.4675 2450.7195 0.0000 0.0000 51929.6726 -109480.1381 298.4405 -161409.8107 -109124.5884 299.3104 45.7563 77.1471 762201.8422 19.5215 19.5642 PRESSURE: 3120600 98.7526 44.6144 361.871 44.6133 236.923 -104.845 361.872 -104.844 26.9844 GPRESSURE: 3120600 162.062 66.7617 314.608 159.176 167.794 -156.637 294.051 -3.41051 97.5441 PRESSAVG: 3120600 -9.48594 33.599 -29.8162 33.599 -1.95324 14.6578 -29.8163 14.6578 0.987411 GPRESSAVG: 3120600 -9.05037 32.9613 -30.426 34.7849 -2.70193 16.1278 -30.6914 13.698 0.406505 TIMING: 3120600 CPU: 9924.57, 0.00314937/step Wall: 9924.57, 0.00314937/step, 1.64415 hours remaining, 234.406250 MB of memory in use. ENERGY: 3120600 3954.9342 20425.1413 14546.6290 241.6294 -202855.6452 2447.8507 0.0000 0.0000 52083.7457 -109155.7150 299.3260 -161239.4607 -108791.0203 299.6064 120.8867 142.4667 762734.8928 -3.4839 -3.7819 PRESSURE: 3120800 -227.16 -59.3874 -28.5802 -59.3882 26.9506 101.357 -28.581 101.356 -194.047 GPRESSURE: 3120800 -201.26 44.2012 57.2876 -9.21866 8.71129 103.372 -18.9444 141.57 -114.556 PRESSAVG: 3120800 -61.378 28.0397 -22.6472 28.0396 27.1476 -46.639 -22.6472 -46.6389 -10.8878 GPRESSAVG: 3120800 -61.3879 26.1775 -21.2372 30.444 26.3394 -47.1369 -20.6751 -45.9851 -10.2973 TIMING: 3120800 CPU: 9925.2, 0.00311826/step Wall: 9925.2, 0.00311826/step, 1.62773 hours remaining, 234.406250 MB of memory in use. ENERGY: 3120800 4020.4518 20457.1790 14514.8828 259.6944 -203012.9772 2298.1494 0.0000 0.0000 52211.6878 -109250.9320 300.0613 -161462.6198 -108882.8859 299.8927 -131.4187 -102.3684 760594.2141 -15.0394 -15.1153 PRESSURE: 3121000 466.591 -80.09 106.444 -80.0899 322.768 -111.734 106.444 -111.733 241.803 GPRESSURE: 3121000 543.026 -67.8738 56.4184 29.6546 352.347 -43.9114 29.7909 37.5277 224.398 PRESSAVG: 3121000 -23.752 -30.2683 34.6415 -30.2682 -22.164 -1.73389 34.6415 -1.7339 31.7407 GPRESSAVG: 3121000 -24.6323 -29.4595 34.8399 -30.4197 -20.2857 -3.1067 33.7029 -0.596295 31.3754 TIMING: 3121000 CPU: 9925.83, 0.00314487/step Wall: 9925.83, 0.00314487/step, 1.64145 hours remaining, 234.406250 MB of memory in use. ENERGY: 3121000 3992.7754 20551.7433 14581.9632 253.7583 -203926.0153 2856.2224 0.0000 0.0000 52314.8601 -109374.6927 300.6542 -161689.5528 -109027.3736 299.7514 343.7207 373.2572 760567.5320 -4.7251 -4.5142 PRESSURE: 3121200 417.116 -256.053 -43.2397 -256.053 333.68 -99.2529 -43.2392 -99.2527 533.681 GPRESSURE: 3121200 441.263 -174.283 -69.4036 -201.011 330.048 -107.43 0.193116 -101.353 586.756 PRESSAVG: 3121200 -15.2097 22.1863 -14.1319 22.1863 6.45852 -6.37958 -14.1318 -6.37943 -3.5158 GPRESSAVG: 3121200 -14.0902 20.5381 -13.5813 23.2618 5.51342 -3.71805 -15.4943 -7.35983 -4.1616 TIMING: 3121200 CPU: 9926.46, 0.00315471/step Wall: 9926.46, 0.00315472/step, 1.64641 hours remaining, 234.406250 MB of memory in use. ENERGY: 3121200 3988.4313 20573.5944 14494.4169 222.2748 -203704.5156 2853.3846 0.0000 0.0000 51959.0684 -109613.3453 298.6095 -161572.4137 -109252.6905 299.7270 428.1590 452.6888 761608.1306 -4.0890 -4.2461 PRESSURE: 3121400 77.1097 102.529 -28.4391 102.529 59.1561 -78.5139 -28.4384 -78.5146 355.065 GPRESSURE: 3121400 81.374 93.9133 -40.2652 19.0259 92.5313 -4.71781 14.3826 23.0132 394.366 PRESSAVG: 3121400 -26.8416 20.9781 -29.3744 20.9781 25.9396 0.529122 -29.3744 0.529032 -9.07513 GPRESSAVG: 3121400 -26.7182 22.4694 -29.4008 20.6706 25.8165 -1.23044 -29.0755 1.51353 -9.1184 TIMING: 3121400 CPU: 9927.09, 0.00314941/step Wall: 9927.09, 0.00314941/step, 1.64347 hours remaining, 234.476562 MB of memory in use. ENERGY: 3121400 3981.7213 20381.3145 14555.4441 259.9514 -203138.2619 2594.1003 0.0000 0.0000 51922.9238 -109442.8066 298.4018 -161365.7303 -109081.2821 298.7100 163.7769 189.4237 762738.0611 -3.3257 -3.3401 PRESSURE: 3121600 -393.923 54.5291 49.466 54.529 -133.469 112.733 49.466 112.732 -82.9796 GPRESSURE: 3121600 -285.952 40.423 113.368 121.179 -129.021 21.4024 108.218 134.085 -131.352 PRESSAVG: 3121600 -42.0875 8.95793 37.7253 8.9579 39.7552 -32.3306 37.7253 -32.3305 2.45762 GPRESSAVG: 3121600 -41.0545 9.53381 37.0293 7.45217 38.5155 -31.5525 39.1903 -32.3432 2.47278 TIMING: 3121600 CPU: 9927.71, 0.00313008/step Wall: 9927.71, 0.00313008/step, 1.63321 hours remaining, 234.476562 MB of memory in use. ENERGY: 3121600 3933.7627 20416.0944 14500.8484 247.8150 -203245.0559 2516.7711 0.0000 0.0000 52123.5026 -109506.2618 299.5545 -161629.7644 -109143.3880 298.7583 -203.4572 -182.1083 765315.0583 0.0418 -0.0220 PRESSURE: 3121800 -18.743 -94.8665 113.653 -94.8665 -34.3511 -46.026 113.653 -46.0264 150.624 GPRESSURE: 3121800 -42.335 -85.4414 47.6554 -161.267 -11.6747 -63.893 83.0499 6.79755 222.095 PRESSAVG: 3121800 23.0259 -18.6776 4.86398 -18.6776 -48.1057 -5.02088 4.86392 -5.0209 -2.07345 GPRESSAVG: 3121800 20.9537 -19.2639 4.66865 -18.6965 -47.8928 -6.67953 3.24443 -5.27397 -0.417665 TIMING: 3121800 CPU: 9928.34, 0.00313755/step Wall: 9928.34, 0.00313755/step, 1.63693 hours remaining, 234.476562 MB of memory in use. ENERGY: 3121800 3959.9384 20384.1066 14539.8630 240.3464 -203433.2156 2767.3881 0.0000 0.0000 52009.3210 -109532.2521 298.8983 -161541.5732 -109168.1718 299.1628 32.5098 56.0286 764216.1092 -9.0511 -9.1189 PRESSURE: 3122000 435.964 38.9249 192.154 38.925 -268.052 11.8022 192.154 11.8017 116.68 GPRESSURE: 3122000 448.249 84.7693 206.064 20.218 -195.138 31.5488 203.97 -66.2338 128.987 PRESSAVG: 3122000 17.7042 -56.8871 -11.8051 -56.8871 -43.1723 3.14923 -11.8051 3.14924 -1.51302 GPRESSAVG: 3122000 19.6484 -57.9052 -13.3641 -55.8704 -43.6348 2.87015 -10.1995 1.82465 -2.60693 TIMING: 3122000 CPU: 9928.97, 0.00312727/step Wall: 9928.97, 0.00312727/step, 1.63139 hours remaining, 234.476562 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: 3122000 3948.1596 20387.2561 14538.8951 257.2981 -203415.5535 2729.9272 0.0000 0.0000 52022.1241 -109531.8934 298.9719 -161554.0175 -109172.5812 298.7653 94.8641 127.3660 762516.2038 -8.9937 -8.8644 PRESSURE: 3122200 -415.646 112.007 89.0089 112.007 -52.7724 51.9286 89.0089 51.9285 30.5095 GPRESSURE: 3122200 -447.84 106.442 91.0929 40.3713 -8.02073 3.43799 98.8822 48.795 97.3397 PRESSAVG: 3122200 59.0791 -0.163391 21.9392 -0.163339 -15.174 -8.11542 21.9391 -8.11547 -12.785 GPRESSAVG: 3122200 58.2674 0.539796 24.2945 -0.0443455 -14.1795 -6.49781 19.0411 -6.90929 -12.1316 TIMING: 3122200 CPU: 9929.59, 0.00313001/step Wall: 9929.59, 0.00313001/step, 1.63265 hours remaining, 234.476562 MB of memory in use. ENERGY: 3122200 3979.3374 20394.7730 14535.7673 227.9876 -202949.0502 2238.1152 0.0000 0.0000 51889.0620 -109684.0078 298.2072 -161573.0698 -109328.2106 298.6664 -145.9697 -119.5069 762425.6805 10.3734 10.6521 PRESSURE: 3122400 -39.8801 -178.009 1.07374 -178.01 -291.319 -1.43019 1.07443 -1.43089 162.127 GPRESSURE: 3122400 -0.665944 -114.408 27.7573 -136.203 -189.181 -73.2082 94.5958 10.491 106.676 PRESSAVG: 3122400 -19.0978 27.1393 -2.49052 27.1394 -15.3179 -52.793 -2.49052 -52.793 -3.30369 GPRESSAVG: 3122400 -18.1575 26.9041 -2.86289 27.5012 -15.12 -53.2748 0.610596 -54.1592 -4.44552 TIMING: 3122400 CPU: 9930.22, 0.00312086/step Wall: 9930.22, 0.00312086/step, 1.6277 hours remaining, 234.476562 MB of memory in use. ENERGY: 3122400 4041.9637 20451.2837 14516.4429 258.8504 -203594.9632 2713.7476 0.0000 0.0000 51962.6330 -109650.0419 298.6300 -161612.6749 -109296.3090 298.7824 -56.3574 -27.7236 761042.1562 -12.5731 -12.5743 PRESSURE: 3122600 41.8848 -55.4668 117.714 -55.4664 -183.122 -3.5962 117.713 -3.59529 359.331 GPRESSURE: 3122600 42.2079 -60.7476 103.352 -31.65 -158.606 -38.9397 105.251 -42.3457 444.999 PRESSAVG: 3122600 16.5874 6.69067 -17.9256 6.69066 9.49717 -20.9042 -17.9256 -20.9041 5.80927 GPRESSAVG: 3122600 16.3363 6.27054 -17.5302 7.97917 10.1361 -22.4478 -19.8876 -20.3467 6.40239 TIMING: 3122600 CPU: 9930.84, 0.00312025/step Wall: 9930.84, 0.00312025/step, 1.62721 hours remaining, 234.476562 MB of memory in use. ENERGY: 3122600 3942.8058 20354.9110 14484.1044 246.3938 -203491.4187 2843.6569 0.0000 0.0000 51935.0503 -109684.4965 298.4714 -161619.5468 -109324.5224 298.8533 72.6978 109.5337 761724.2293 10.6313 10.9583 PRESSURE: 3122800 -256.436 39.3176 -58.5932 39.318 -247.828 130.862 -58.5932 130.863 -366.39 GPRESSURE: 3122800 -173.509 -66.5192 -50.0054 26.4599 -211.294 192.499 -62.2848 118.328 -385.145 PRESSAVG: 3122800 6.96395 -5.94616 -6.42816 -5.94623 5.00496 -6.12103 -6.42821 -6.12097 -21.994 GPRESSAVG: 3122800 6.81018 -4.6681 -8.66576 -8.39097 4.34623 -4.67277 -2.45122 -5.4393 -21.7847 TIMING: 3122800 CPU: 9931.46, 0.00310919/step Wall: 9931.46, 0.00310919/step, 1.62127 hours remaining, 234.476562 MB of memory in use. ENERGY: 3122800 4000.8726 20375.9379 14548.3317 234.3106 -203631.9008 2694.7925 0.0000 0.0000 52000.6220 -109777.0335 298.8483 -161777.6555 -109403.4457 298.8099 -290.2179 -256.6494 762710.7294 -3.3417 -3.5428 PRESSURE: 3123000 -105.369 30.2566 -1.6161 30.2568 73.5518 -82.236 -1.61603 -82.2365 193.435 GPRESSURE: 3123000 -36.5948 1.07726 43.305 74.6944 46.367 -162.667 -71.7208 -180.718 236.948 PRESSAVG: 3123000 -18.2158 17.453 13.465 17.4531 35.1984 -1.32838 13.465 -1.32843 -5.90449 GPRESSAVG: 3123000 -18.1086 16.9331 14.3754 18.2729 34.8423 -1.71559 11.3706 -1.68117 -5.16699 TIMING: 3123000 CPU: 9932.09, 0.00312381/step Wall: 9932.09, 0.00312381/step, 1.62872 hours remaining, 234.476562 MB of memory in use. ENERGY: 3123000 3938.6750 20438.6919 14561.6184 259.0795 -203424.6900 2817.9880 0.0000 0.0000 51791.2242 -109617.4130 297.6449 -161408.6373 -109255.0317 298.4284 53.8727 82.2401 762972.7580 3.6927 3.8556 PRESSURE: 3123200 -30.3777 -78.9984 -0.909767 -78.9981 -386.864 43.8435 -0.910042 43.8434 -151.258 GPRESSURE: 3123200 -124.106 -69.5114 -98.2971 29.1664 -278.121 119.292 0.0535985 78.9388 -83.82 PRESSAVG: 3123200 -19.5274 -34.4454 16.1212 -34.4454 27.8528 2.36154 16.1211 2.36138 -0.824798 GPRESSAVG: 3123200 -19.5996 -35.0227 15.2308 -35.3312 29.0335 2.52302 17.0969 3.39314 -1.22103 TIMING: 3123200 CPU: 9932.71, 0.0031348/step Wall: 9932.71, 0.0031348/step, 1.63428 hours remaining, 234.476562 MB of memory in use. ENERGY: 3123200 3956.9283 20615.4659 14523.4697 257.2297 -203159.2278 2351.9305 0.0000 0.0000 52003.2518 -109450.9520 298.8634 -161454.2038 -109089.1234 298.8089 -189.5001 -162.0156 762077.2400 2.5002 2.7377 PRESSURE: 3123400 174.637 141.608 -31.0161 141.607 210.514 -122.489 -31.016 -122.49 -350.39 GPRESSURE: 3123400 213.542 22.1302 18.088 165.896 227.827 -127.768 -51.8599 22.8249 -333.056 PRESSAVG: 3123400 1.77176 16.7397 4.69852 16.7397 -35.8025 -9.47333 4.69852 -9.47336 0.856056 GPRESSAVG: 3123400 1.87339 16.137 6.44916 17.2721 -36.2443 -10.1814 2.11466 -9.64262 0.852603 TIMING: 3123400 CPU: 9933.34, 0.00314256/step Wall: 9933.34, 0.00314256/step, 1.63815 hours remaining, 234.476562 MB of memory in use. ENERGY: 3123400 3935.9907 20565.9486 14555.4045 248.6606 -202899.9556 2335.1843 0.0000 0.0000 51870.3208 -109388.4461 298.0994 -161258.7669 -109018.3553 299.1746 11.5866 36.1041 763126.4336 -11.0582 -11.1728 PRESSURE: 3123600 124.004 55.99 10.4255 55.99 42.0816 -112.479 10.4256 -112.48 511.816 GPRESSURE: 3123600 162.955 169.912 96.6587 -0.309652 97.8063 -80.5938 -98.886 -80.0716 492.266 PRESSAVG: 3123600 28.1962 30.1362 -17.3048 30.1362 -14.3198 -29.7055 -17.3048 -29.7054 2.68782 GPRESSAVG: 3123600 28.0097 32.334 -18.3716 29.7641 -13.4934 -28.4336 -14.9873 -30.789 1.96109 TIMING: 3123600 CPU: 9933.97, 0.00315149/step Wall: 9933.97, 0.00315149/step, 1.64263 hours remaining, 234.476562 MB of memory in use. ENERGY: 3123600 3935.8662 20507.6651 14478.5791 250.2795 -203402.1494 2722.4254 0.0000 0.0000 52146.0797 -109361.2545 299.6842 -161507.3342 -108995.9738 299.5634 225.9672 251.0092 760951.6345 5.5214 5.4924 PRESSURE: 3123800 -194.853 -225.569 -88.4838 -225.569 -539.169 -78.313 -88.4841 -78.3114 -623.489 GPRESSURE: 3123800 -176.765 -153.608 -86.616 -41.4094 -525.074 -161.791 -73.0359 -122.551 -568.735 PRESSAVG: 3123800 -15.9726 -10.2923 -61.2779 -10.2923 15.95 34.9824 -61.2779 34.9825 19.1998 GPRESSAVG: 3123800 -15.6693 -10.1436 -62.6467 -11.1033 15.8013 32.1686 -59.9394 36.0801 18.9506 TIMING: 3123800 CPU: 9934.6, 0.00312637/step Wall: 9934.6, 0.00312637/step, 1.62936 hours remaining, 234.476562 MB of memory in use. ENERGY: 3123800 4000.2391 20571.5883 14660.7938 254.7474 -202970.5004 2213.9555 0.0000 0.0000 52060.4461 -109208.7303 299.1921 -161269.1764 -108844.5893 299.2236 -452.5036 -423.5245 762889.0541 6.3924 6.3609 PRESSURE: 3124000 245.987 80.8783 -23.3631 80.8781 -178.998 181.987 -23.3634 181.988 -7.09579 GPRESSURE: 3124000 344.741 70.6938 -22.4733 62.4104 -187.296 158.981 -30.8513 82.8946 -19.1486 PRESSAVG: 3124000 -23.9151 -38.151 -8.62872 -38.1511 -1.86792 -5.50891 -8.62865 -5.50895 -4.33748 GPRESSAVG: 3124000 -23.6728 -38.1197 -7.44123 -36.9453 -4.13487 -4.31003 -11.675 -7.12666 -2.80187 TIMING: 3124000 CPU: 9935.22, 0.0031262/step Wall: 9935.22, 0.0031262/step, 1.6291 hours remaining, 234.476562 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: 3124000 3925.6816 20512.2875 14693.0791 236.5405 -202977.1814 2489.9748 0.0000 0.0000 51844.8267 -109274.7913 297.9529 -161119.6180 -108908.0010 299.6269 19.9643 46.0989 761744.0449 -10.0402 -10.2032 PRESSURE: 3124200 -32.0033 -132.035 158.416 -132.035 -238.672 -50.7453 158.416 -50.7451 50.7836 GPRESSURE: 3124200 -49.1832 -106.652 231.757 -169.206 -68.623 12.5755 186.893 64.4841 -21.201 PRESSAVG: 3124200 -36.1158 9.06631 -51.4726 9.06628 11.065 -15.8974 -51.4727 -15.8973 5.33108 GPRESSAVG: 3124200 -37.0505 9.04096 -51.7964 7.02757 14.2796 -15.358 -50.0156 -16.7662 3.18987 TIMING: 3124200 CPU: 9935.85, 0.00313374/step Wall: 9935.85, 0.00313374/step, 1.63285 hours remaining, 234.476562 MB of memory in use. ENERGY: 3124200 3909.7386 20453.3427 14584.5454 251.4496 -203344.8693 2637.3422 0.0000 0.0000 52031.9941 -109476.4567 299.0286 -161508.4508 -109107.4154 298.8556 -73.2973 -46.3357 762096.5869 -6.5732 -6.5270 LDB: ============= START OF LOAD BALANCING ============== 9948.27 LDB: ============== END OF LOAD BALANCING =============== 9948.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9948.27 LDB: ============= START OF LOAD BALANCING ============== 9948.58 LDB: Largest compute 7031 load 0.029888 is 15.3% of average load 0.195570 LDB: Average compute 0.004391 is 2.2% of average load 0.195570 LDB: TIME 9948.59 LOAD: AVG 0.19557 MAX 0.217788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 9948.59 LOAD: AVG 0.19557 MAX 0.217788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 9948.59 LOAD: AVG 0.19557 MAX 0.217788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 9948.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9948.6 PRESSURE: 3124400 -39.6602 -65.7468 13.963 -65.7474 173.484 -49.7908 13.9627 -49.7914 67.0437 GPRESSURE: 3124400 -100.216 -42.5253 6.53404 -55.8091 196.95 -7.38116 -95.4869 -47.389 169.395 PRESSAVG: 3124400 -58.8688 23.6978 -27.0926 23.6978 15.3982 -18.5649 -27.0927 -18.5649 -3.03738 GPRESSAVG: 3124400 -57.2278 24.5826 -27.1806 25.7547 11.6098 -18.4574 -27.6708 -17.7435 -0.944694 TIMING: 3124400 CPU: 9936.49, 0.00319229/step Wall: 9936.49, 0.00319229/step, 1.66318 hours remaining, 234.191406 MB of memory in use. ENERGY: 3124400 4004.4235 20457.6103 14501.8812 231.3282 -203446.7148 2568.6546 0.0000 0.0000 52105.9575 -109576.8594 299.4537 -161682.8169 -109220.8885 298.5241 66.9558 88.7099 761697.7022 -15.5027 -15.5209 PRESSURE: 3124600 -134.095 -67.3667 77.5289 -67.3662 -29.464 -117.694 77.5298 -117.692 320.915 GPRESSURE: 3124600 -173.859 -202.835 151.495 -14.7047 22.8544 -132.996 40.1266 -110.939 399.123 PRESSAVG: 3124600 -43.0606 -6.3673 17.876 -6.36727 68.6673 -11.2842 17.876 -11.2843 -21.1772 GPRESSAVG: 3124600 -43.6061 -8.51654 19.3058 -4.76458 69.9397 -11.2962 16.8554 -10.8623 -21.8803 TIMING: 3124600 CPU: 9937.12, 0.00313341/step Wall: 9937.12, 0.00313341/step, 1.63233 hours remaining, 234.394531 MB of memory in use. ENERGY: 3124600 3953.1075 20469.6526 14451.2691 234.6824 -203318.3542 2672.5171 0.0000 0.0000 52207.0935 -109330.0320 300.0349 -161537.1255 -108967.3713 299.2418 52.4519 82.7059 763029.7172 1.4765 1.4845 PRESSURE: 3124800 -121.861 52.4953 -132.974 52.4949 43.8546 110.706 -132.974 110.706 -58.6614 GPRESSURE: 3124800 -133.058 147.874 -175.648 -77.8884 136.381 187.216 -87.3103 87.4341 -42.2122 PRESSAVG: 3124800 -44.8214 31.4575 -6.97668 31.4575 83.8124 -9.78615 -6.97668 -9.7861 1.95711 GPRESSAVG: 3124800 -45.9615 34.3993 -7.77423 30.5214 85.2216 -8.39353 -7.31977 -11.516 1.98 TIMING: 3124800 CPU: 9937.74, 0.00312813/step Wall: 9937.74, 0.00312813/step, 1.62941 hours remaining, 234.394531 MB of memory in use. ENERGY: 3124800 3909.2676 20438.3819 14557.7724 238.0920 -203072.4610 2418.3341 0.0000 0.0000 52204.7903 -109305.8226 300.0216 -161510.6129 -108947.2948 299.6820 -45.5560 -12.9629 763475.2224 13.6494 13.7467 PRESSURE: 3125000 -206.826 -55.2512 37.6991 -55.2522 -14.9009 -16.6583 37.6987 -16.6601 191.773 GPRESSURE: 3125000 -166.677 -33.2949 16.2692 -44.9685 25.8072 69.1424 18.343 -66.4161 207.944 PRESSAVG: 3125000 -2.77697 -24.9684 -43.579 -24.9685 -10.8967 -3.31441 -43.579 -3.31432 4.24109 GPRESSAVG: 3125000 -1.91569 -24.4292 -43.7598 -26.8751 -11.1965 -3.50959 -41.1567 -2.75572 3.62083 TIMING: 3125000 CPU: 9938.37, 0.0031244/step Wall: 9938.37, 0.0031244/step, 1.62729 hours remaining, 234.394531 MB of memory in use. ENERGY: 3125000 3909.5457 20337.2057 14497.8596 241.2870 -203280.4812 2721.8432 0.0000 0.0000 52037.8719 -109534.8681 299.0624 -161572.7401 -109167.2098 299.4643 -9.9845 22.3581 760360.0317 -3.1442 -3.1638 PRESSURE: 3125200 210.748 29.211 233.555 29.2112 -126.422 74.8374 233.556 74.838 115.521 GPRESSURE: 3125200 242.596 53.5761 163.416 29.559 -83.0587 137.093 141.496 53.9413 108.545 PRESSAVG: 3125200 -4.25076 -47.0252 2.57184 -47.0252 -6.66637 -19.9581 2.5719 -19.9582 9.09565 GPRESSAVG: 3125200 -3.85467 -46.8162 2.40781 -47.0555 -6.5247 -22.0426 0.0539671 -16.9809 9.01063 TIMING: 3125200 CPU: 9938.99, 0.00313687/step Wall: 9938.99, 0.00313687/step, 1.63361 hours remaining, 234.394531 MB of memory in use. ENERGY: 3125200 3998.5671 20410.8536 14604.7209 257.5677 -203225.5094 2561.7891 0.0000 0.0000 51975.1380 -109416.8731 298.7018 -161392.0111 -109061.6196 299.0089 66.6155 89.3607 760524.1440 -0.6072 -0.4562 PRESSURE: 3125400 68.7274 235.343 -138.72 235.343 345.105 11.5457 -138.721 11.5473 795.624 GPRESSURE: 3125400 94.8356 318.491 -89.4909 308.159 331.387 -10.5249 -149.669 65.1301 859.563 PRESSAVG: 3125400 -12.9516 17.2753 15.3663 17.2752 39.2256 -67.1009 15.3664 -67.1009 9.06992 GPRESSAVG: 3125400 -13.5136 14.343 15.0749 18.7646 39.3646 -65.7047 17.0701 -68.3226 9.67084 TIMING: 3125400 CPU: 9939.62, 0.00312268/step Wall: 9939.62, 0.00312268/step, 1.62605 hours remaining, 234.664062 MB of memory in use. ENERGY: 3125400 3923.4340 20394.3283 14581.1221 257.9466 -203336.5919 2587.5059 0.0000 0.0000 52048.2801 -109543.9748 299.1222 -161592.2549 -109177.5451 299.6495 403.1522 428.5951 758758.2938 11.7813 11.8406 PRESSURE: 3125600 -212.821 27.6527 78.1141 27.6526 -6.97932 120.867 78.1135 120.865 -294.381 GPRESSURE: 3125600 -120.433 -17.7965 118.778 161.335 -33.6861 121.014 5.08397 42.5953 -273.869 PRESSAVG: 3125600 -22.4987 18.0745 3.4541 18.0745 23.7341 -113.327 3.45412 -113.327 15.211 GPRESSAVG: 3125600 -21.9944 19.6303 5.10956 17.4485 23.799 -113.008 4.65784 -115.296 14.8124 TIMING: 3125600 CPU: 9940.25, 0.00314611/step Wall: 9940.25, 0.00314611/step, 1.63808 hours remaining, 234.734375 MB of memory in use. ENERGY: 3125600 3970.9495 20420.6582 14542.7433 252.0377 -203270.1715 2318.1268 0.0000 0.0000 52159.2310 -109606.4250 299.7598 -161765.6560 -109241.9943 299.3650 -171.3938 -142.6627 760168.9546 5.4821 5.5390 PRESSURE: 3125800 23.3499 161.115 367.539 161.115 60.5997 256.461 367.539 256.46 96.3094 GPRESSURE: 3125800 45.9949 156.072 376.77 119.152 23.3643 231.748 368.14 225.754 204.825 PRESSAVG: 3125800 -4.89438 12.4465 20.9351 12.4465 22.2819 26.7667 20.9351 26.7666 4.64209 GPRESSAVG: 3125800 -4.75397 10.6813 19.9429 11.6032 20.9172 24.6662 21.7321 28.3849 5.59575 TIMING: 3125800 CPU: 9940.87, 0.00311284/step Wall: 9940.87, 0.00311284/step, 1.62058 hours remaining, 234.734375 MB of memory in use. ENERGY: 3125800 3952.0639 20560.6164 14520.8037 254.9706 -203300.8426 2664.9226 0.0000 0.0000 51970.4043 -109377.0611 298.6746 -161347.4654 -109013.7410 299.7630 60.0864 91.3947 760894.7867 7.3432 7.2530 PRESSURE: 3126000 11.5025 109.672 156.05 109.671 74.1123 -230.53 156.05 -230.529 -46.9709 GPRESSURE: 3126000 85.6679 154.625 233.875 153.004 129.758 -151.618 161.504 -155.015 -79.3825 PRESSAVG: 3126000 -11.7639 39.8429 44.0137 39.843 -28.6004 -6.97997 44.0137 -6.98002 -3.26083 GPRESSAVG: 3126000 -12.6437 42.1747 43.9388 39.6546 -26.3501 -5.11575 43.4394 -6.56133 -3.96619 TIMING: 3126000 CPU: 9941.5, 0.00313328/step Wall: 9941.5, 0.00313328/step, 1.63104 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 3979.4225 20531.1916 14593.1245 239.5733 -203351.0470 2590.4159 0.0000 0.0000 52027.4136 -109389.9058 299.0023 -161417.3194 -109031.1044 299.1878 12.8813 45.3479 761060.1797 -14.5417 -14.3200 PRESSURE: 3126200 -466.272 -304.765 -15.524 -304.765 9.96851 73.1869 -15.5231 73.1868 -694.438 GPRESSURE: 3126200 -378.703 -270.811 17.0755 -224.319 -36.9757 40.9379 23.633 52.6656 -662.376 PRESSAVG: 3126200 29.9187 -58.9794 64.2903 -58.9794 -41.6708 -70.167 64.2903 -70.167 11.9388 GPRESSAVG: 3126200 30.6428 -60.9841 63.3421 -56.6145 -43.2548 -71.4815 63.6738 -68.7909 12.7406 TIMING: 3126200 CPU: 9942.13, 0.0031476/step Wall: 9942.13, 0.0031476/step, 1.63833 hours remaining, 234.734375 MB of memory in use. ENERGY: 3126200 3970.0012 20613.7107 14529.9729 257.9273 -203204.4688 2491.0949 0.0000 0.0000 51933.0671 -109408.6947 298.4601 -161341.7619 -109058.1837 299.6496 -383.5808 -359.3514 762975.9172 0.0623 0.0429 PRESSURE: 3126400 31.9706 151.757 -141.538 151.757 -9.33414 -79.4813 -141.539 -79.4821 -378.044 GPRESSURE: 3126400 57.2647 148.836 -144.891 75.0544 22.9616 -51.4601 -152.361 -147.178 -335.836 PRESSAVG: 3126400 -33.9021 -44.2785 14.4114 -44.2785 2.42926 -25.6359 14.4114 -25.6359 -4.82701 GPRESSAVG: 3126400 -33.5862 -42.8816 15.206 -46.6835 3.00022 -24.1023 14.5272 -26.5568 -5.23915 TIMING: 3126400 CPU: 9942.75, 0.00312972/step Wall: 9942.75, 0.00312972/step, 1.62885 hours remaining, 234.734375 MB of memory in use. ENERGY: 3126400 4057.7965 20538.1505 14449.0734 236.0724 -203161.7406 2530.0204 0.0000 0.0000 52188.4118 -109162.2155 299.9275 -161350.6273 -108794.3602 299.9061 -118.4691 -85.2031 760006.1197 -12.0999 -11.9417 PRESSURE: 3126600 -220.605 99.3618 -16.1076 99.3635 -105.744 -41.6812 -16.1087 -41.6814 -718.572 GPRESSURE: 3126600 -205.51 -81.4801 58.5993 201.966 -118.471 -119.252 19.4489 6.91222 -650.627 PRESSAVG: 3126600 13.9925 83.9066 -39.1237 83.9067 -64.4903 -27.8607 -39.1236 -27.8607 -14.1376 GPRESSAVG: 3126600 13.0204 82.1995 -39.1364 84.9675 -64.801 -28.742 -40.0974 -29.2373 -13.5042 TIMING: 3126600 CPU: 9943.38, 0.0031311/step Wall: 9943.38, 0.00313109/step, 1.62939 hours remaining, 234.734375 MB of memory in use. ENERGY: 3126600 4054.9771 20604.7771 14489.0977 245.3029 -203301.0353 2511.2230 0.0000 0.0000 52078.9065 -109316.7511 299.2982 -161395.6576 -108957.7614 299.5301 -348.3070 -324.8693 761692.1550 -21.5451 -21.7616 PRESSURE: 3126800 -41.0173 56.2314 21.4816 56.2313 109.678 -30.1954 21.4815 -30.195 -128.091 GPRESSURE: 3126800 -6.24714 -24.7793 76.6283 16.9809 134.384 -94.5417 75.0506 43.762 -79.8005 PRESSAVG: 3126800 -29.8557 0.7724 55.4212 0.772318 11.2215 62.0354 55.4213 62.0354 -42.4588 GPRESSAVG: 3126800 -28.298 0.615832 55.3703 1.83362 11.0092 62.908 55.1346 63.9109 -43.3889 TIMING: 3126800 CPU: 9944, 0.00312007/step Wall: 9944, 0.00312007/step, 1.62348 hours remaining, 234.734375 MB of memory in use. ENERGY: 3126800 4019.5816 20416.8303 14504.6656 236.6602 -203390.8613 2606.0105 0.0000 0.0000 51942.2317 -109664.8814 298.5127 -161607.1130 -109308.7054 299.2097 -19.8102 16.1120 760805.6689 -20.3643 -20.2259 PRESSURE: 3127000 -390.653 -21.1075 -21.3426 -21.1076 -237.014 -223.176 -21.3421 -223.176 159.809 GPRESSURE: 3127000 -339.891 33.0607 6.43425 -44.5873 -151.831 -310.756 -45.952 -166.898 116.216 PRESSAVG: 3127000 -1.92157 -38.2356 35.3707 -38.2357 37.4312 -35.1366 35.3707 -35.1366 -10.8314 GPRESSAVG: 3127000 -1.9511 -38.262 36.2059 -39.5427 37.8528 -35.2293 35.0298 -35.176 -11.3161 TIMING: 3127000 CPU: 9944.63, 0.00311994/step Wall: 9944.63, 0.00311994/step, 1.62323 hours remaining, 234.734375 MB of memory in use. ENERGY: 3127000 4149.0235 20431.5119 14550.3447 262.7528 -203274.0241 2409.5884 0.0000 0.0000 51982.9075 -109487.8953 298.7465 -161470.8028 -109128.3325 298.7537 -155.9527 -125.1688 761416.6774 8.2261 8.1952 PRESSURE: 3127200 285.025 -125.038 61.2365 -125.038 155.046 96.1832 61.2377 96.1836 -47.9054 GPRESSURE: 3127200 320.962 -61.778 128.236 -22.7006 169.256 90.1513 -69.5647 52.6014 -14.2513 PRESSAVG: 3127200 21.713 -54.6599 21.9427 -54.6599 -25.1144 -72.6774 21.9427 -72.6774 -12.3987 GPRESSAVG: 3127200 21.168 -53.6231 22.4485 -54.7475 -25.8436 -73.1691 22.3656 -73.4331 -11.0713 TIMING: 3127200 CPU: 9945.25, 0.00312584/step Wall: 9945.25, 0.00312584/step, 1.62613 hours remaining, 234.734375 MB of memory in use. ENERGY: 3127200 3990.9259 20623.3842 14518.9712 239.4326 -203123.8965 2636.2838 0.0000 0.0000 51921.3556 -109193.5433 298.3927 -161114.8988 -108841.0148 299.2548 130.7218 158.6556 763003.3562 -5.2667 -5.2490 PRESSURE: 3127400 -302.005 -257.319 2.73116 -257.319 80.2514 104.552 2.73109 104.552 201.835 GPRESSURE: 3127400 -272.574 -162.949 -43.6719 -54.6932 53.8436 65.3078 119.072 86.1273 287.934 PRESSAVG: 3127400 24.9087 12.0595 28.0303 12.0595 -20.285 -9.90609 28.0303 -9.90603 -26.1343 GPRESSAVG: 3127400 24.8136 12.7519 28.0749 14.2968 -19.4117 -9.56655 28.7969 -11.4392 -27.1718 TIMING: 3127400 CPU: 9945.87, 0.00310735/step Wall: 9945.87, 0.00310736/step, 1.61634 hours remaining, 234.734375 MB of memory in use. ENERGY: 3127400 4017.0247 20791.1963 14569.1765 243.7263 -203405.0118 2690.7589 0.0000 0.0000 51776.6192 -109316.5099 297.5609 -161093.1291 -108961.5750 299.4952 -6.6397 23.0676 761177.6747 -7.1702 -7.2566 PRESSURE: 3127600 -94.2964 192.985 31.5344 192.986 221.673 -100.159 31.5348 -100.159 -77.4905 GPRESSURE: 3127600 5.60041 119.418 61.9287 250.766 260.881 -145.965 9.1042 -140.437 -142.174 PRESSAVG: 3127600 26.3057 -38.5735 25.3038 -38.5735 -5.43749 -17.3161 25.3038 -17.3161 -8.24175 GPRESSAVG: 3127600 28.7499 -38.3753 25.074 -40.7178 -7.80538 -17.6184 24.738 -17.4864 -7.76519 TIMING: 3127600 CPU: 9946.5, 0.00311749/step Wall: 9946.5, 0.00311749/step, 1.62144 hours remaining, 234.734375 MB of memory in use. ENERGY: 3127600 3918.4906 20534.8442 14524.6523 241.7861 -203264.3198 2424.2570 0.0000 0.0000 52248.8344 -109371.4552 300.2748 -161620.2895 -109012.5176 299.1323 16.6286 41.4358 762254.1185 4.2088 4.3931 PRESSURE: 3127800 94.0298 -17.7059 9.20496 -17.7063 -24.7544 -9.10351 9.20396 -9.10259 184.295 GPRESSURE: 3127800 147.842 -89.8157 11.542 -106.597 -12.5302 -59.8653 -17.8911 -39.1039 212.254 PRESSAVG: 3127800 51.8546 -30.2453 63.0821 -30.2453 -22.6797 16.0554 63.0821 16.0554 2.88768 GPRESSAVG: 3127800 49.7078 -31.842 63.6566 -30.7132 -20.5837 16.6533 62.4687 15.921 2.56901 TIMING: 3127800 CPU: 9947.12, 0.00313071/step Wall: 9947.12, 0.00313071/step, 1.62815 hours remaining, 234.734375 MB of memory in use. ENERGY: 3127800 3980.6844 20489.8436 14539.1201 237.5107 -203210.4209 2596.3947 0.0000 0.0000 52035.2336 -109331.6338 299.0472 -161366.8674 -108968.5119 299.1338 84.5236 115.8553 763291.9999 10.6875 10.5644 PRESSURE: 3128000 32.6286 -54.5484 -11.1713 -54.5485 -218.217 -70.7883 -11.1715 -70.7873 63.3355 GPRESSURE: 3128000 119.721 -33.2051 -62.6727 -34.4484 -197.737 -92.1601 108.127 -127.524 48.3741 PRESSAVG: 3128000 33.9763 -2.48887 25.0076 -2.48897 -15.8723 16.4738 25.0075 16.4738 17.9854 GPRESSAVG: 3128000 33.8366 -1.11819 22.8728 -2.72391 -15.705 15.9475 26.9178 18.5677 17.859 TIMING: 3128000 CPU: 9947.75, 0.00313694/step Wall: 9947.75, 0.00313694/step, 1.63121 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3128000 4063.3713 20440.8826 14533.9448 256.1474 -203293.5957 2556.7629 0.0000 0.0000 52320.0388 -109122.4479 300.6840 -161442.4867 -108756.5473 299.5712 -40.7509 -9.8806 763270.0243 12.0298 11.9969 PRESSURE: 3128200 -302.514 9.35874 141.062 9.35802 318.752 137.12 141.063 137.12 110.444 GPRESSURE: 3128200 -181.921 156.572 179.783 124.332 293.776 43.0806 23.5674 33.6707 112.044 PRESSAVG: 3128200 8.96695 25.5379 -25.4872 25.5379 -12.9589 -12.6941 -25.4873 -12.6941 -32.1493 GPRESSAVG: 3128200 10.2674 23.5033 -23.9976 26.7614 -13.8112 -12.579 -28.1043 -14.6713 -33.0676 TIMING: 3128200 CPU: 9948.37, 0.00311399/step Wall: 9948.37, 0.00311399/step, 1.6191 hours remaining, 234.734375 MB of memory in use. ENERGY: 3128200 4014.7141 20372.9095 14521.5272 234.0450 -203228.8623 2595.2814 0.0000 0.0000 52168.0675 -109322.3176 299.8106 -161490.3852 -108961.9130 299.3326 42.2274 74.6331 761623.2327 -12.0471 -12.2038 LDB: ============= START OF LOAD BALANCING ============== 9960.79 LDB: ============== END OF LOAD BALANCING =============== 9960.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9960.79 LDB: ============= START OF LOAD BALANCING ============== 9961.11 LDB: Largest compute 7063 load 0.029072 is 14.9% of average load 0.195592 LDB: Average compute 0.004392 is 2.2% of average load 0.195592 LDB: TIME 9961.11 LOAD: AVG 0.195592 MAX 0.218499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.934 MB LDB: TIME 9961.11 LOAD: AVG 0.195592 MAX 0.218499 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.137 MB LDB: TIME 9961.11 LOAD: AVG 0.195592 MAX 0.217592 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.137 MB LDB: ============== END OF LOAD BALANCING =============== 9961.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9961.12 PRESSURE: 3128400 -145.208 151.412 -256.535 151.412 -170.374 118.031 -256.535 118.032 -135.951 GPRESSURE: 3128400 -96.5328 100.945 -271.293 45.4412 -117.142 112.781 -235.378 56.1934 -146.085 PRESSAVG: 3128400 -1.86867 -9.57438 -10.3779 -9.57437 -0.0765375 -38.7047 -10.3779 -38.7048 -9.9754 GPRESSAVG: 3128400 -1.89835 -9.09344 -10.8726 -10.5196 -0.0175671 -37.6811 -8.26345 -35.404 -10.2311 TIMING: 3128400 CPU: 9949.01, 0.00319326/step Wall: 9949.01, 0.00319326/step, 1.66014 hours remaining, 233.601562 MB of memory in use. ENERGY: 3128400 4016.8141 20522.2784 14516.9323 235.2463 -203075.9905 2504.8953 0.0000 0.0000 52060.8142 -109219.0098 299.1942 -161279.8240 -108857.2362 299.7969 -150.5111 -119.9201 762717.8850 -3.9735 -4.0490 PRESSURE: 3128600 253.387 -34.9352 121.38 -34.9347 245.175 -111.933 121.38 -111.934 -78.3181 GPRESSURE: 3128600 183.6 14.8143 179.73 -20.6617 339.898 36.7624 48.6479 -307.712 -2.37781 PRESSAVG: 3128600 -11.023 -16.0815 71.1743 -16.0816 12.2532 -18.6153 71.1744 -18.6152 -19.2494 GPRESSAVG: 3128600 -11.1917 -15.2438 71.6099 -16.3981 11.7249 -18.7573 69.6657 -20.2105 -19.0691 TIMING: 3128600 CPU: 9949.64, 0.0031299/step Wall: 9949.64, 0.0031299/step, 1.62703 hours remaining, 233.601562 MB of memory in use. ENERGY: 3128600 3935.6075 20505.9821 14535.6554 234.5013 -203052.5334 2746.2466 0.0000 0.0000 51894.5867 -109199.9538 298.2389 -161094.5405 -108844.6087 299.2988 140.0812 173.7066 762459.6861 -6.0064 -6.1786 PRESSURE: 3128800 -62.7723 28.4365 -111.927 28.4375 -25.3678 28.2713 -111.927 28.2706 114.619 GPRESSURE: 3128800 -6.8292 5.12875 -79.6863 -8.35253 70.75 -40.8415 -200.72 83.8614 47.1602 PRESSAVG: 3128800 -50.251 -6.99435 65.3398 -6.99436 21.3193 28.1107 65.3398 28.1107 -3.70432 GPRESSAVG: 3128800 -50.7845 -9.27703 64.6599 -5.1538 20.6781 26.1939 66.4373 28.3841 -2.50157 TIMING: 3128800 CPU: 9950.26, 0.00312774/step Wall: 9950.26, 0.00312773/step, 1.62573 hours remaining, 233.601562 MB of memory in use. ENERGY: 3128800 3990.5080 20480.0044 14545.0417 257.4271 -202811.3576 2368.5109 0.0000 0.0000 51940.7595 -109229.1059 298.5043 -161169.8654 -108869.6663 299.8371 8.8262 37.0270 760912.4248 -10.8787 -10.8694 PRESSURE: 3129000 264.601 -94.5571 193.283 -94.556 409.108 -221.103 193.284 -221.103 166.462 GPRESSURE: 3129000 302.982 -113.088 212.208 -109.091 461.314 -264.312 186.713 -227.018 170.462 PRESSAVG: 3129000 27.5662 28.4658 2.86258 28.4659 -5.67051 -7.30029 2.86264 -7.30022 11.9939 GPRESSAVG: 3129000 27.1568 29.4377 3.90694 26.6822 -4.97924 -6.67748 2.00637 -6.93675 12.0918 TIMING: 3129000 CPU: 9950.89, 0.00311617/step Wall: 9950.89, 0.00311617/step, 1.61954 hours remaining, 233.601562 MB of memory in use. ENERGY: 3129000 3909.6854 20472.4468 14529.6455 235.7224 -203555.5630 2715.9643 0.0000 0.0000 52223.0765 -109469.0219 300.1267 -161692.0984 -109109.8526 299.6195 280.0570 311.5857 759170.9114 11.2965 11.4231 PRESSURE: 3129200 -18.761 -105.639 -87.3445 -105.638 -276.148 243.846 -87.3445 243.846 202.757 GPRESSURE: 3129200 64.5303 -138.362 -120.086 -87.5744 -267.05 222.596 21.6873 158.227 204.707 PRESSAVG: 3129200 12.7674 -36.9596 -48.4707 -36.9596 13.8047 -45.9101 -48.4708 -45.9101 11.9502 GPRESSAVG: 3129200 12.0867 -36.9656 -49.7205 -37.2278 14.0308 -45.8924 -48.0605 -46.639 12.5054 TIMING: 3129200 CPU: 9951.51, 0.00311512/step Wall: 9951.51, 0.00311512/step, 1.61883 hours remaining, 233.601562 MB of memory in use. ENERGY: 3129200 3854.6142 20448.7682 14517.4511 237.2401 -203175.2777 2362.0282 0.0000 0.0000 52176.1403 -109579.0356 299.8570 -161755.1760 -109214.4461 298.3280 -30.7171 0.7293 761209.3266 12.8407 12.8743 PRESSURE: 3129400 -492.319 -126.861 74.6337 -126.861 -144.288 -137.97 74.634 -137.969 -38.2656 GPRESSURE: 3129400 -383.05 -53.8235 56.3616 -148.358 -102.709 -66.0093 77.0501 -165.922 -96.7843 PRESSAVG: 3129400 17.1197 -4.83797 -27.2318 -4.83797 -37.7822 -5.35961 -27.2319 -5.35957 13.6884 GPRESSAVG: 3129400 17.5913 -2.62551 -27.3481 -6.62701 -37.4591 -4.27957 -26.9773 -3.98638 12.7374 TIMING: 3129400 CPU: 9952.13, 0.00311937/step Wall: 9952.13, 0.00311937/step, 1.62086 hours remaining, 233.601562 MB of memory in use. ENERGY: 3129400 4032.9496 20449.7013 14524.8260 245.0440 -203720.5465 2556.8217 0.0000 0.0000 52228.7393 -109682.4646 300.1593 -161911.2039 -109328.0686 298.9542 -224.9575 -194.1808 760774.2205 -2.3247 -2.3768 PRESSURE: 3129600 -231.143 -127.569 -35.6182 -127.57 48.8988 70.5798 -35.6193 70.58 -264.594 GPRESSURE: 3129600 -133.292 -134.178 -51.6702 -183.175 -25.4243 130.269 -124.72 -52.7456 -208.492 PRESSAVG: 3129600 -3.46781 -1.48801 40.872 -1.48808 21.8422 -14.0935 40.8721 -14.0936 -7.03762 GPRESSAVG: 3129600 -3.70196 -1.7966 40.4457 -0.798943 21.6593 -14.9968 41.7508 -16.4643 -6.79468 TIMING: 3129600 CPU: 9952.76, 0.00311443/step Wall: 9952.76, 0.00311443/step, 1.61812 hours remaining, 233.601562 MB of memory in use. ENERGY: 3129600 3931.3105 20615.8758 14453.5525 246.9538 -203502.1798 2610.9772 0.0000 0.0000 52033.8642 -109609.6458 299.0393 -161643.5100 -109240.7976 299.6243 -148.9463 -122.4026 759504.2928 3.7789 3.7209 PRESSURE: 3129800 350.545 1.75896 174.217 1.75847 285.814 -60.0827 174.217 -60.0825 164.728 GPRESSURE: 3129800 419.361 16.8784 152.193 131.318 365.858 46.5652 217.588 -21.3011 104.89 PRESSAVG: 3129800 14.1163 4.02968 37.2581 4.0297 7.16872 1.49562 37.258 1.4956 16.5882 GPRESSAVG: 3129800 15.056 2.92293 37.4389 5.39209 6.59988 0.73147 35.6723 3.69503 16.1912 TIMING: 3129800 CPU: 9953.38, 0.0031151/step Wall: 9953.38, 0.0031151/step, 1.61829 hours remaining, 233.601562 MB of memory in use. ENERGY: 3129800 4016.5545 20671.7589 14551.6999 233.3271 -203673.9883 2783.6986 0.0000 0.0000 51948.4205 -109468.5289 298.5483 -161416.9494 -109116.9093 299.8328 267.0289 296.7033 758795.4198 12.6244 12.6157 PRESSURE: 3130000 136.075 -138.711 -10.9695 -138.711 -261.993 -39.6081 -10.9681 -39.6077 63.8293 GPRESSURE: 3130000 104.821 -89.0056 -85.355 -56.1642 -186.354 -35.2986 90.5956 -70.0189 89.205 PRESSAVG: 3130000 -25.3155 21.2601 5.85209 21.2601 52.5126 -23.0375 5.852 -23.0375 -8.80513 GPRESSAVG: 3130000 -26.0437 20.5689 5.63997 21.3308 52.9465 -20.9799 7.17787 -23.2819 -9.014 TIMING: 3130000 CPU: 9954.01, 0.00313665/step Wall: 9954.01, 0.00313665/step, 1.62932 hours remaining, 233.601562 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: 3130000 4044.2825 20482.0283 14431.5283 263.0651 -203526.5894 2455.9974 0.0000 0.0000 52317.6084 -109532.0795 300.6700 -161849.6879 -109162.6359 299.2717 -20.6960 2.5572 759209.7266 6.1307 5.9629 PRESSURE: 3130200 -124.345 -45.3353 -35.7483 -45.3358 162.522 22.9532 -35.7487 22.9532 -163.316 GPRESSURE: 3130200 -74.3625 82.2595 -40.8573 -95.9923 198.093 47.4386 110.323 92.794 -142.917 PRESSAVG: 3130200 3.84237 -38.134 23.0809 -38.134 -27.4605 -9.93112 23.0809 -9.9311 -8.96715 GPRESSAVG: 3130200 3.99281 -37.8979 24.8618 -37.3165 -28.2906 -9.99608 23.2132 -10.0979 -8.59715 TIMING: 3130200 CPU: 9954.63, 0.00313418/step Wall: 9954.63, 0.00313418/step, 1.62786 hours remaining, 233.601562 MB of memory in use. ENERGY: 3130200 4117.0076 20557.2674 14427.5216 245.0062 -203623.7632 2817.6895 0.0000 0.0000 51937.8250 -109521.4458 298.4874 -161459.2708 -109176.0034 299.0435 -41.7130 -6.3955 761680.9925 -10.8617 -10.9650 PRESSURE: 3130400 -73.1487 71.6943 10.105 71.695 190.277 -71.2322 10.1049 -71.2333 42.1033 GPRESSURE: 3130400 -67.8247 68.5669 -66.3463 151.368 281.484 -55.5327 48.9013 -122.736 47.9805 PRESSAVG: 3130400 1.13163 -2.77131 -14.0328 -2.77135 31.234 -2.13771 -14.0328 -2.13769 -2.68144 GPRESSAVG: 3130400 0.075599 -4.5503 -15.653 -3.41271 31.4694 -3.83039 -13.4596 -2.38954 -1.90245 TIMING: 3130400 CPU: 9955.26, 0.00311891/step Wall: 9955.26, 0.00311891/step, 1.61976 hours remaining, 233.601562 MB of memory in use. ENERGY: 3130400 4014.2970 20607.8916 14540.3240 244.1922 -203659.1448 2531.6362 0.0000 0.0000 52173.1535 -109547.6501 299.8398 -161720.8037 -109176.5076 299.7518 53.0771 87.2132 759731.6180 9.8947 9.8809 PRESSURE: 3130600 61.0603 -230.401 221.968 -230.4 270.113 108.969 221.968 108.969 2.40068 GPRESSURE: 3130600 76.9366 -134.531 220.616 -184.349 345.827 40.6639 103.619 105.661 1.93919 PRESSAVG: 3130600 23.469 -28.4977 44.3971 -28.4977 -28.3901 -10.599 44.3971 -10.5991 -11.4533 GPRESSAVG: 3130600 24.5704 -25.4302 44.5845 -29.4088 -29.2248 -8.77332 44.2296 -8.1138 -12.2062 TIMING: 3130600 CPU: 9955.88, 0.00313251/step Wall: 9955.88, 0.00313251/step, 1.62664 hours remaining, 233.601562 MB of memory in use. ENERGY: 3130600 4001.0264 20435.7022 14624.7576 251.9850 -203512.5709 2567.2915 0.0000 0.0000 52297.8187 -109333.9896 300.5563 -161631.8083 -108972.5045 299.6673 111.1914 141.5676 759946.8135 -5.4581 -5.6202 PRESSURE: 3130800 70.1431 113.911 -52.6365 113.911 -118.415 -186.654 -52.6372 -186.654 -243.813 GPRESSURE: 3130800 132.743 134.711 -81.8842 81.1281 -140.066 -73.2733 -14.7287 -186.788 -217.412 PRESSAVG: 3130800 17.916 -42.0672 25.6349 -42.0672 -67.0146 9.43114 25.6349 9.43123 7.05845 GPRESSAVG: 3130800 17.4107 -43.3924 23.9751 -39.9059 -66.7479 9.89098 25.8359 6.40009 6.67641 TIMING: 3130800 CPU: 9956.51, 0.00313934/step Wall: 9956.51, 0.00313934/step, 1.63001 hours remaining, 233.601562 MB of memory in use. ENERGY: 3130800 4035.0355 20671.0053 14549.1172 231.6324 -203595.5143 2652.6938 0.0000 0.0000 51945.6807 -109510.3494 298.5325 -161456.0301 -109151.8484 299.3987 -97.3616 -74.9115 761660.6402 -14.0134 -14.2203 PRESSURE: 3131000 478.967 259.324 -67.7506 259.324 206.994 204.927 -67.7503 204.926 -12.5062 GPRESSURE: 3131000 452.724 248.691 -28.8325 184.647 256.59 247.714 -179.985 19.391 25.7712 PRESSAVG: 3131000 -24.7139 36.3564 -26.5312 36.3563 3.19095 22.5234 -26.5313 22.5234 -2.48401 GPRESSAVG: 3131000 -25.1896 35.2612 -23.0334 33.3656 3.43766 21.3162 -26.8925 23.7583 -1.9566 TIMING: 3131000 CPU: 9957.14, 0.00313654/step Wall: 9957.14, 0.00313654/step, 1.62839 hours remaining, 233.601562 MB of memory in use. ENERGY: 3131000 4018.2121 20519.7557 14529.8701 244.1915 -203651.8083 2816.2285 0.0000 0.0000 52129.6691 -109393.8811 299.5899 -161523.5503 -109031.7886 299.5330 224.4849 245.0284 760908.0939 -8.0023 -7.9029 PRESSURE: 3131200 -92.9097 -107.875 327.183 -107.876 -360.877 90.1987 327.183 90.1981 -242.099 GPRESSURE: 3131200 -177.33 -45.3404 454.431 -90.0747 -171.224 77.8544 135.733 43.9674 -245.22 PRESSAVG: 3131200 23.431 11.6722 11.4413 11.6722 9.92513 53.8965 11.4412 53.8965 8.5995 GPRESSAVG: 3131200 24.3823 12.5803 11.0976 12.636 10.8383 53.4696 9.61013 53.1236 7.25571 TIMING: 3131200 CPU: 9957.77, 0.0031311/step Wall: 9957.77, 0.0031311/step, 1.62539 hours remaining, 233.601562 MB of memory in use. ENERGY: 3131200 4009.1560 20513.2471 14543.7314 250.8290 -203181.6870 2381.8859 0.0000 0.0000 52118.5244 -109364.3132 299.5259 -161482.8376 -108995.8052 299.4440 -231.9620 -197.9247 760663.5385 13.9852 14.1588 PRESSURE: 3131400 -298.554 -95.6165 -27.7746 -95.6155 -209.851 237.43 -27.7749 237.431 -260.689 GPRESSURE: 3131400 -165.695 -6.67341 -7.63393 -86.8009 -224.349 227.748 -2.233 109.119 -262.127 PRESSAVG: 3131400 9.88712 42.7662 -5.43913 42.7663 10.9436 35.3266 -5.43913 35.3266 18.4912 GPRESSAVG: 3131400 9.61771 43.9523 -7.51985 42.9511 9.47598 35.6107 -4.36848 35.5201 20.0956 TIMING: 3131400 CPU: 9958.39, 0.0031213/step Wall: 9958.39, 0.0031213/step, 1.62013 hours remaining, 233.601562 MB of memory in use. ENERGY: 3131400 3972.5807 20474.8039 14460.8607 242.4626 -202952.7420 2204.9187 0.0000 0.0000 52137.9524 -109459.1630 299.6375 -161597.1154 -109090.9803 299.5301 -256.3650 -217.3903 760585.2969 13.1073 13.0631 PRESSURE: 3131600 -288.439 145.037 -15.6057 145.037 29.6822 245.12 -15.6059 245.118 -200.103 GPRESSURE: 3131600 -220.643 57.8269 -17.4969 69.809 56.5463 240.057 15.3309 309.764 -222.506 PRESSAVG: 3131600 -5.27582 18.7744 23.25 18.7744 -12.4302 15.422 23.25 15.4219 21.3599 GPRESSAVG: 3131600 -5.48712 17.9954 22.2908 19.0899 -12.1499 17.2983 25.7501 15.879 20.7894 TIMING: 3131600 CPU: 9959.02, 0.0031283/step Wall: 9959.02, 0.0031283/step, 1.62359 hours remaining, 233.601562 MB of memory in use. ENERGY: 3131600 4088.8211 20423.0347 14451.6689 222.7115 -203132.9017 2444.1372 0.0000 0.0000 52161.2906 -109341.2376 299.7717 -161502.5282 -108972.5825 298.8473 -152.9534 -128.8675 760755.2384 1.2180 1.0508 PRESSURE: 3131800 -429.306 54.3294 -34.0129 54.3287 -115.898 101.07 -34.0127 101.071 -564.965 GPRESSURE: 3131800 -419.468 18.0152 -68.9553 7.40725 -37.7269 113.201 -42.5879 51.68 -562.416 PRESSAVG: 3131800 -47.1713 -24.6015 -1.25892 -24.6016 9.21379 0.968589 -1.25896 0.968596 27.1757 GPRESSAVG: 3131800 -47.3521 -25.2341 1.77886 -23.7035 9.62257 -0.445577 -4.13271 -0.155628 26.9651 TIMING: 3131800 CPU: 9959.64, 0.00312713/step Wall: 9959.64, 0.00312713/step, 1.62281 hours remaining, 233.601562 MB of memory in use. ENERGY: 3131800 3998.7373 20555.4806 14431.2319 245.2698 -202693.8234 2041.4635 0.0000 0.0000 51994.4573 -109427.1832 298.8129 -161421.6404 -109075.2968 299.7625 -370.0562 -339.8706 760588.4275 -3.5939 -3.5881 PRESSURE: 3132000 145.17 -108.429 230.179 -108.428 -31.4632 59.9074 230.18 59.9081 40.9907 GPRESSURE: 3132000 167.963 -52.4887 194.094 -46.2356 19.2518 136.787 232.045 52.1069 53.3652 PRESSAVG: 3132000 -29.1191 -32.2139 23.8948 -32.2139 -42.7954 -36.4225 23.8948 -36.4224 -1.46218 GPRESSAVG: 3132000 -30.6163 -31.7756 21.8906 -32.0467 -42.6309 -36.9661 25.192 -33.5103 -0.0235505 TIMING: 3132000 CPU: 9960.27, 0.00312349/step Wall: 9960.27, 0.00312349/step, 1.62074 hours remaining, 233.601562 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: 3132000 3998.4634 20448.7307 14522.5260 235.9041 -202944.0073 2254.9833 0.0000 0.0000 52079.9271 -109403.4728 299.3041 -161483.3999 -109038.4736 299.5490 51.5660 80.1934 760495.9850 -24.4589 -24.4236 PRESSURE: 3132200 -52.6636 -166.688 -138.242 -166.688 189.252 -117.039 -138.241 -117.039 72.7687 GPRESSURE: 3132200 -5.0862 -70.5474 -179.52 -139.542 235 -75.0448 -137.381 -125.38 70.448 PRESSAVG: 3132200 8.15141 -24.2732 3.80356 -24.2732 -16.0637 -28.4265 3.80353 -28.4265 10.6309 GPRESSAVG: 3132200 10.4559 -24.3841 3.57158 -22.9712 -16.2552 -27.7666 3.82749 -29.2022 9.09232 TIMING: 3132200 CPU: 9960.89, 0.00313516/step Wall: 9960.89, 0.00313516/step, 1.62662 hours remaining, 233.601562 MB of memory in use. ENERGY: 3132200 4000.2347 20480.5979 14467.8612 250.2996 -203140.5103 2518.3336 0.0000 0.0000 52068.8496 -109354.3337 299.2404 -161423.1833 -108984.6903 299.2664 69.7857 100.1207 760529.9858 0.9062 1.0977 LDB: ============= START OF LOAD BALANCING ============== 9973.31 LDB: ============== END OF LOAD BALANCING =============== 9973.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9973.31 LDB: ============= START OF LOAD BALANCING ============== 9973.62 LDB: Largest compute 7031 load 0.031037 is 15.9% of average load 0.195575 LDB: Average compute 0.004384 is 2.2% of average load 0.195575 LDB: TIME 9973.63 LOAD: AVG 0.195575 MAX 0.222496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.152 MB LDB: TIME 9973.63 LOAD: AVG 0.195575 MAX 0.222496 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.152 MB LDB: TIME 9973.63 LOAD: AVG 0.195575 MAX 0.2169 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.152 MB LDB: ============== END OF LOAD BALANCING =============== 9973.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9973.63 PRESSURE: 3132400 -209.295 -127.009 72.9745 -127.009 -10.4779 63.7597 72.9744 63.7595 81.4704 GPRESSURE: 3132400 -142.191 -38.4534 39.1292 -36.3485 37.8829 65.4232 199.877 90.3484 68.175 PRESSAVG: 3132400 1.22414 4.30945 -0.227591 4.30938 35.4699 9.19548 -0.227494 9.19553 25.9055 GPRESSAVG: 3132400 0.536595 5.20142 0.844292 2.34123 35.0202 8.989 0.457784 9.66199 26.8268 TIMING: 3132400 CPU: 9961.53, 0.00317404/step Wall: 9961.53, 0.00317404/step, 1.64662 hours remaining, 232.792969 MB of memory in use. ENERGY: 3132400 4024.7321 20475.1330 14569.2751 259.9871 -203076.3075 2438.2900 0.0000 0.0000 52131.3530 -109177.5373 299.5996 -161308.8902 -108809.4678 300.0409 -46.1009 -12.0443 761186.6470 20.8665 20.7945 PRESSURE: 3132600 -214.682 -234.842 139.05 -234.842 -29.0567 -34.1309 139.051 -34.131 362.749 GPRESSURE: 3132600 -155.947 -190.18 89.9824 -391.396 18.1019 -128.494 111.375 -19.3648 355.51 PRESSAVG: 3132600 13.1945 0.703569 -27.526 0.703573 29.8688 -11.1631 -27.526 -11.1631 5.88365 GPRESSAVG: 3132600 13.1438 -0.424195 -27.2297 0.169502 29.7103 -11.346 -28.2791 -11.2607 5.98878 TIMING: 3132600 CPU: 9962.15, 0.00311321/step Wall: 9962.15, 0.00311321/step, 1.61489 hours remaining, 233.195312 MB of memory in use. ENERGY: 3132600 4021.7511 20535.2654 14539.6962 262.5378 -203091.9407 2186.5349 0.0000 0.0000 52206.4058 -109339.7495 300.0309 -161546.1553 -108977.1179 299.8968 39.6701 72.5552 760841.1874 16.3157 16.2810 PRESSURE: 3132800 -80.5788 78.1805 22.889 78.1806 279.821 8.78916 22.8894 8.78914 428.745 GPRESSURE: 3132800 82.3925 64.5906 29.4085 59.6089 218.193 -10.8135 -12.8362 7.76881 423.671 PRESSAVG: 3132800 -4.51065 65.088 -49.2956 65.088 1.69118 -6.99493 -49.2956 -6.99495 -7.90067 GPRESSAVG: 3132800 -4.30729 63.5038 -49.5772 65.084 1.50882 -6.28618 -50.0471 -6.63502 -7.73443 TIMING: 3132800 CPU: 9962.78, 0.00314557/step Wall: 9962.78, 0.00314557/step, 1.6315 hours remaining, 233.265625 MB of memory in use. ENERGY: 3132800 4037.3081 20502.3654 14635.0244 251.8455 -203284.6709 2563.5407 0.0000 0.0000 51935.1122 -109359.4746 298.4718 -161294.5868 -109007.2930 299.6857 209.3292 241.4188 760405.9874 -3.5734 -3.5110 PRESSURE: 3133000 -270.088 6.23233 -51.3544 6.23168 -149.631 17.6038 -51.3546 17.6032 -37.4338 GPRESSURE: 3133000 -183.15 12.3969 -21.6381 138.695 -142.886 -92.068 -87.0326 112.955 -32.1471 PRESSAVG: 3133000 25.1845 -2.12486 23.36 -2.12481 -18.6264 4.34794 23.36 4.34789 4.6918 GPRESSAVG: 3133000 25.7948 0.991682 23.7251 -3.12017 -18.6349 3.09094 23.0909 2.81297 3.49242 TIMING: 3133000 CPU: 9963.4, 0.00311943/step Wall: 9963.4, 0.00311943/step, 1.61777 hours remaining, 233.265625 MB of memory in use. ENERGY: 3133000 4009.1454 20448.0946 14554.4385 251.9786 -202988.4149 2296.8000 0.0000 0.0000 52002.8512 -109425.1067 298.8611 -161427.9579 -109067.7924 299.2534 -152.3842 -119.3943 760261.6591 3.7500 3.5508 PRESSURE: 3133200 119.178 -16.0217 25.196 -16.0218 -279.78 -103.474 25.1966 -103.473 -205.73 GPRESSURE: 3133200 147.442 -82.2689 -11.5049 -50.7166 -281.546 -83.3886 -78.2277 -194.35 -164.212 PRESSAVG: 3133200 9.48716 -42.1653 -38.5742 -42.1653 12.8804 15.0955 -38.5742 15.0955 -8.73585 GPRESSAVG: 3133200 8.8062 -42.5278 -38.8818 -41.092 12.4893 16.6656 -37.4604 15.0626 -8.26798 TIMING: 3133200 CPU: 9964.03, 0.00311975/step Wall: 9964.03, 0.00311975/step, 1.61776 hours remaining, 233.265625 MB of memory in use. ENERGY: 3133200 4002.5493 20528.2671 14496.9212 261.5929 -203577.7318 2609.6946 0.0000 0.0000 52337.6565 -109341.0501 300.7852 -161678.7066 -108988.6791 299.6895 -122.1104 -99.4387 760907.8625 4.5439 4.3425 PRESSURE: 3133400 -115.274 -63.4662 47.4626 -63.4668 -267.801 -133.885 47.4627 -133.885 -23.8044 GPRESSURE: 3133400 -122.83 34.3564 171.391 -46.9062 -158.603 -76.7745 139.5 -66.8294 -44.4749 PRESSAVG: 3133400 -8.62848 -5.56589 58.5316 -5.56583 47.8264 2.02949 58.5317 2.02954 -5.69049 GPRESSAVG: 3133400 -9.24633 -7.35589 58.0315 -3.47932 48.9026 2.14299 60.134 2.25506 -5.87222 TIMING: 3133400 CPU: 9964.65, 0.00311313/step Wall: 9964.65, 0.00311313/step, 1.61416 hours remaining, 233.265625 MB of memory in use. ENERGY: 3133400 4009.5760 20601.8610 14520.3705 233.9691 -203314.6450 2398.2109 0.0000 0.0000 52209.0106 -109341.6469 300.0459 -161550.6575 -108978.2669 299.5725 -135.6264 -108.6357 760069.6796 11.1692 11.2614 PRESSURE: 3133600 128.537 -86.0508 266.472 -86.0504 242.304 -82.9835 266.472 -82.9843 -160.365 GPRESSURE: 3133600 152.921 -121.804 240.447 -116.786 318.859 -39.3831 128.909 -16.154 -168.606 PRESSAVG: 3133600 -16.7554 -10.666 -23.3777 -10.666 -14.4115 -31.0355 -23.3778 -31.0355 9.11813 GPRESSAVG: 3133600 -16.5483 -11.8749 -21.9865 -12.2148 -14.7787 -32.1816 -25.779 -30.7217 9.50219 TIMING: 3133600 CPU: 9965.27, 0.00311666/step Wall: 9965.27, 0.00311666/step, 1.61581 hours remaining, 233.265625 MB of memory in use. ENERGY: 3133600 4007.5899 20553.1045 14506.6936 234.4794 -203246.1567 2497.1718 0.0000 0.0000 52225.5553 -109221.5622 300.1410 -161447.1175 -108868.8274 299.7314 70.1585 101.0582 759785.8440 -7.3496 -7.2749 PRESSURE: 3133800 -250.969 -34.6907 -336.789 -34.6912 -275.517 -69.8118 -336.789 -69.8113 -194.287 GPRESSURE: 3133800 -209.897 -34.502 -234.323 -4.80673 -248.483 -75.233 -213.561 -29.0195 -168.563 PRESSAVG: 3133800 44.868 -18.5747 -24.1112 -18.5747 -36.0386 7.34733 -24.1112 7.34735 3.26139 GPRESSAVG: 3133800 45.4542 -16.1727 -23.452 -18.7898 -36.2847 8.21187 -24.1313 6.2149 3.39265 TIMING: 3133800 CPU: 9965.9, 0.00312789/step Wall: 9965.9, 0.00312789/step, 1.62146 hours remaining, 233.265625 MB of memory in use. ENERGY: 3133800 4006.4895 20646.1425 14545.7859 240.4331 -203187.7949 2411.9884 0.0000 0.0000 51896.0713 -109440.8843 298.2474 -161336.9555 -109084.4711 299.2856 -240.2574 -208.9806 760392.1543 4.0303 4.1874 PRESSURE: 3134000 -350.749 -11.6686 -120.76 -11.6684 133.397 -90.7768 -120.761 -90.7756 -119.43 GPRESSURE: 3134000 -290.65 -4.56287 -179.276 23.8908 131.021 -80.4676 18.9283 -169.031 -83.495 PRESSAVG: 3134000 22.4668 -29.0539 -17.0916 -29.0539 10.8532 -18.8689 -17.0916 -18.8688 -9.62337 GPRESSAVG: 3134000 22.1897 -28.679 -17.538 -29.0124 11.6799 -18.9219 -15.958 -19.8718 -9.95499 TIMING: 3134000 CPU: 9966.52, 0.00313026/step Wall: 9966.52, 0.00313026/step, 1.62252 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3134000 3988.4807 20493.9866 14509.3463 243.9536 -203416.5646 2531.6140 0.0000 0.0000 52178.0511 -109471.1322 299.8680 -161649.1833 -109101.2415 299.1872 -112.2605 -81.0414 761409.9289 7.8989 7.9716 PRESSURE: 3134200 -66.5762 -76.3584 -67.8432 -76.358 -244.635 -28.994 -67.8425 -28.9937 52.4491 GPRESSURE: 3134200 69.0436 -136.823 -57.1301 -133.41 -328.476 -39.9194 68.4784 -36.6317 70.3906 PRESSAVG: 3134200 19.9384 -3.91409 -30.3715 -3.91405 -47.3421 -29.3034 -30.3715 -29.3034 0.0217192 GPRESSAVG: 3134200 20.9796 -3.94704 -29.8465 -6.35055 -48.0999 -28.6526 -29.9735 -25.9914 0.0383519 TIMING: 3134200 CPU: 9967.15, 0.00310948/step Wall: 9967.15, 0.00310948/step, 1.61158 hours remaining, 233.335938 MB of memory in use. ENERGY: 3134200 4040.2966 20537.4706 14545.3753 229.3093 -203202.4768 2209.3916 0.0000 0.0000 51685.2264 -109955.4070 297.0357 -161640.6334 -109590.2712 298.4301 -86.2540 -63.0140 760739.2054 -9.1273 -9.0273 PRESSURE: 3134400 -116.817 -81.0269 -76.8716 -81.0269 -136.997 -134.483 -76.8724 -134.484 -244.046 GPRESSURE: 3134400 -132.907 -78.5831 -37.3318 -156.689 -52.7322 -87.3913 83.8083 -41.3013 -215.062 PRESSAVG: 3134400 44.8213 43.88 -46.1143 43.8799 -8.96976 -10.4637 -46.1143 -10.4638 -1.15005 GPRESSAVG: 3134400 44.7342 40.6212 -47.3067 45.0517 -9.11178 -10.6296 -45.9856 -11.8533 -1.43513 TIMING: 3134400 CPU: 9967.77, 0.00310743/step Wall: 9967.77, 0.00310743/step, 1.61034 hours remaining, 233.335938 MB of memory in use. ENERGY: 3134400 4029.1816 20310.9821 14473.2322 243.7258 -203508.3954 2442.9156 0.0000 0.0000 51978.2868 -110030.0712 298.7199 -162008.3579 -109665.5857 297.9596 -165.9533 -133.5669 761092.6449 11.5672 11.3958 PRESSURE: 3134600 92.5682 193.889 -27.6104 193.889 176.627 -198.088 -27.6091 -198.09 -229.267 GPRESSURE: 3134600 123.844 128.411 -212.054 145.325 242.195 -235.005 129.667 -254.99 -239.939 PRESSAVG: 3134600 29.316 19.8826 -6.65903 19.8826 -50.9199 -37.1003 -6.659 -37.1003 -7.1922 GPRESSAVG: 3134600 28.5703 23.214 -5.9874 19.9738 -50.6644 -36.0159 -6.08971 -39.5883 -6.57297 TIMING: 3134600 CPU: 9968.39, 0.00312248/step Wall: 9968.39, 0.00312248/step, 1.61797 hours remaining, 233.335938 MB of memory in use. ENERGY: 3134600 3938.6795 20428.6814 14495.2451 246.3778 -203407.3174 2534.3826 0.0000 0.0000 51901.4988 -109862.4520 298.2786 -161763.9508 -109500.1809 298.0215 13.3096 42.0332 762200.4443 -9.5987 -9.5557 PRESSURE: 3134800 -232.993 67.8177 80.6416 67.8178 70.4804 92.6452 80.6415 92.6451 126.952 GPRESSURE: 3134800 -162.598 16.5192 158.785 54.2414 48.3051 76.3206 -57.7951 169.957 149.53 PRESSAVG: 3134800 62.4349 19.3718 49.6534 19.3718 -43.3072 -44.5262 49.6534 -44.5261 15.1319 GPRESSAVG: 3134800 63.4348 17.5156 49.2427 18.095 -43.5767 -46.6361 47.7709 -43.9402 14.6644 TIMING: 3134800 CPU: 9969.02, 0.00312654/step Wall: 9969.02, 0.00312654/step, 1.6199 hours remaining, 233.335938 MB of memory in use. ENERGY: 3134800 4007.6090 20506.0452 14382.6837 251.3030 -203493.4961 2623.4849 0.0000 0.0000 51587.2858 -110135.0845 296.4728 -161722.3703 -109786.2071 297.5135 -11.8537 11.7455 759880.5126 11.4198 11.5075 PRESSURE: 3135000 301.101 8.55175 133.673 8.55095 -174.861 50.3573 133.672 50.3562 169.498 GPRESSURE: 3135000 307.788 153.148 154.848 60.5823 -98.5574 18.2525 117.852 6.84321 166.826 PRESSAVG: 3135000 23.0922 12.7164 28.8948 12.7164 -39.6939 -53.4761 28.8948 -53.4761 28.8333 GPRESSAVG: 3135000 21.8574 12.312 29.045 16.1546 -38.4247 -52.4419 28.1163 -51.9175 28.4781 TIMING: 3135000 CPU: 9969.65, 0.0031606/step Wall: 9969.65, 0.0031606/step, 1.63737 hours remaining, 233.335938 MB of memory in use. ENERGY: 3135000 3912.7341 20341.9978 14428.9726 247.1884 -203320.8709 2404.1574 0.0000 0.0000 51870.6341 -110115.1865 298.1012 -161985.8206 -109751.1847 297.7126 98.5795 125.3522 760853.0188 4.0772 3.9703 PRESSURE: 3135200 -360.236 211.91 116.055 211.91 121.086 116.323 116.054 116.324 18.7245 GPRESSURE: 3135200 -275.147 184.298 166.786 114.712 65.0706 98.497 6.09443 165.53 71.6246 PRESSAVG: 3135200 13.2192 18.8306 20.3831 18.8307 30.2526 46.1882 20.383 46.1882 15.9703 GPRESSAVG: 3135200 14.8105 19.2193 21.9164 17.2481 28.4703 45.6253 21.7399 43.8938 16.2577 TIMING: 3135200 CPU: 9970.28, 0.00315141/step Wall: 9970.28, 0.00315141/step, 1.63243 hours remaining, 233.335938 MB of memory in use. ENERGY: 3135200 4033.8245 20457.5004 14439.5865 261.1769 -203864.1591 2737.3844 0.0000 0.0000 51794.5641 -110140.1224 297.6641 -161934.6864 -109784.6933 297.8179 -73.4750 -46.1507 760356.5271 19.8140 19.8462 PRESSURE: 3135400 77.7593 81.6634 358.328 81.6627 13.5889 -33.1081 358.328 -33.1086 -314.289 GPRESSURE: 3135400 70.3055 144.394 325.554 17.0137 100.799 -147.197 190.031 53.2218 -315.865 PRESSAVG: 3135400 1.71384 -36.7866 101.096 -36.7866 5.80652 -40.1515 101.096 -40.1515 -4.75913 GPRESSAVG: 3135400 1.16118 -36.9968 98.4393 -36.1506 5.67789 -39.5361 102.906 -38.2085 -4.6156 TIMING: 3135400 CPU: 9970.9, 0.00312285/step Wall: 9970.9, 0.00312285/step, 1.61746 hours remaining, 233.335938 MB of memory in use. ENERGY: 3135400 3920.2600 20513.6836 14553.0036 251.5580 -203597.0063 2526.7244 0.0000 0.0000 51733.7991 -110097.9775 297.3149 -161831.7766 -109743.7998 297.3999 -74.3138 -48.2536 761025.3057 0.9204 0.7412 PRESSURE: 3135600 -162.503 -19.2953 28.3989 -19.2942 -15.0913 -180.759 28.3993 -180.759 -41.7473 GPRESSURE: 3135600 -138.567 135.662 133.456 -19.6932 0.396304 -159.15 -158.679 -179.549 8.57981 PRESSAVG: 3135600 63.2123 11.0827 -17.5679 11.0827 -26.7392 -14.38 -17.568 -14.38 25.0269 GPRESSAVG: 3135600 61.8215 11.0898 -14.9088 10.3701 -25.7118 -13.3856 -21.5201 -14.9106 25.4657 TIMING: 3135600 CPU: 9971.53, 0.00313993/step Wall: 9971.53, 0.00313993/step, 1.62613 hours remaining, 233.335938 MB of memory in use. ENERGY: 3135600 3921.2909 20562.7647 14515.5776 249.4549 -203635.4899 2426.5739 0.0000 0.0000 51969.5372 -109990.2906 298.6696 -161959.8278 -109632.0611 297.9569 -73.1137 -43.1969 758780.0312 20.5000 20.5251 PRESSURE: 3135800 153.787 8.303 45.149 8.30302 91.0121 42.184 45.1497 42.1838 -257.713 GPRESSURE: 3135800 206.329 -3.14793 56.7977 92.2728 131.277 135.894 -28.9838 -40.394 -258.804 PRESSAVG: 3135800 34.0486 -14.6263 46.6459 -14.6263 -35.8478 -26.2892 46.6458 -26.2892 3.40677 GPRESSAVG: 3135800 33.9535 -11.7297 45.4824 -14.9972 -34.9888 -26.725 50.0185 -27.326 2.99103 TIMING: 3135800 CPU: 9972.16, 0.0031168/step Wall: 9972.16, 0.0031168/step, 1.61399 hours remaining, 233.335938 MB of memory in use. ENERGY: 3135800 3904.5134 20588.7715 14455.1503 237.8509 -203733.6484 2577.4647 0.0000 0.0000 51887.0381 -110082.8594 298.1955 -161969.8975 -109721.1282 298.2330 -4.3048 26.2671 759961.7693 0.5359 0.6519 PRESSURE: 3136000 -44.7544 13.3487 203.552 13.3481 77.6631 145.97 203.551 145.968 -151.646 GPRESSURE: 3136000 -34.2466 -111.987 101.303 -41.7379 61.6593 133.326 179.36 150.813 -60.1743 PRESSAVG: 3136000 26.8366 -57.8913 12.838 -57.8913 -13.3574 -33.131 12.8381 -33.1311 5.7676 GPRESSAVG: 3136000 28.0793 -58.4399 11.9142 -58.3992 -15.0924 -33.3234 11.6222 -32.4387 6.18266 TIMING: 3136000 CPU: 9972.78, 0.00312938/step Wall: 9972.78, 0.00312938/step, 1.62032 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3136000 3892.9691 20518.0182 14498.9494 255.4192 -203620.4808 2611.0414 0.0000 0.0000 51990.4098 -109853.6738 298.7896 -161844.0836 -109486.1525 298.5975 -39.5790 -10.9206 759945.9637 6.4156 6.3898 PRESSURE: 3136200 -146.041 15.329 28.5713 15.3295 -108.772 243.207 28.5713 243.207 -491.811 GPRESSURE: 3136200 -149.051 -51.1382 83.2473 -43.6227 -9.17754 245.79 100.718 121.608 -520.304 PRESSAVG: 3136200 -45.301 -10.6425 1.07467 -10.6425 41.4659 -15.3989 1.07461 -15.3989 -10.0711 GPRESSAVG: 3136200 -45.41 -10.904 -0.226963 -10.1917 41.5999 -16.6186 3.29927 -18.2899 -10.8066 TIMING: 3136200 CPU: 9973.41, 0.00311781/step Wall: 9973.41, 0.00311781/step, 1.61416 hours remaining, 233.335938 MB of memory in use. ENERGY: 3136200 3895.6491 20503.6636 14568.8328 244.2936 -203269.5846 2226.9211 0.0000 0.0000 52048.7428 -109781.4818 299.1248 -161830.2246 -109412.6385 298.7156 -248.8747 -226.1777 760429.4943 -4.6354 -4.8722 LDB: ============= START OF LOAD BALANCING ============== 9985.82 LDB: ============== END OF LOAD BALANCING =============== 9985.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9985.83 LDB: ============= START OF LOAD BALANCING ============== 9986.14 LDB: Largest compute 7031 load 0.030862 is 15.8% of average load 0.195600 LDB: Average compute 0.004399 is 2.2% of average load 0.195600 LDB: TIME 9986.14 LOAD: AVG 0.1956 MAX 0.214483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.82 MB LDB: TIME 9986.14 LOAD: AVG 0.1956 MAX 0.214483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.855 MB LDB: TIME 9986.14 LOAD: AVG 0.1956 MAX 0.214483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.855 MB LDB: ============== END OF LOAD BALANCING =============== 9986.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9986.15 PRESSURE: 3136400 263.127 114.444 54.1688 114.444 444.945 -196.736 54.1685 -196.736 277.075 GPRESSURE: 3136400 248.905 88.6782 53.3659 89.6191 535.587 -158.698 -90.0737 -160.534 285.7 PRESSAVG: 3136400 15.4534 -55.5666 21.7504 -55.5666 3.14129 -15.7811 21.7504 -15.781 2.50628 GPRESSAVG: 3136400 15.4156 -56.443 23.2713 -55.1776 4.14356 -14.2298 20.9956 -13.4089 1.80234 TIMING: 3136400 CPU: 9974.04, 0.0031855/step Wall: 9974.04, 0.0031855/step, 1.64903 hours remaining, 233.816406 MB of memory in use. ENERGY: 3136400 3963.8056 20483.9317 14479.7987 245.8951 -203706.3989 2882.1071 0.0000 0.0000 52155.7356 -109495.1252 299.7397 -161650.8608 -109129.9263 299.0410 328.3822 356.7306 760848.8636 7.0336 7.1205 PRESSURE: 3136600 -54.6307 -123.457 224.612 -123.457 159.729 71.0152 224.612 71.0145 -38.0187 GPRESSURE: 3136600 -36.4143 -87.9856 141.943 -50.8263 190.269 64.9903 22.5053 34.3168 -5.52025 PRESSAVG: 3136600 -41.4184 -43.7743 -10.5335 -43.7743 31.7242 6.79195 -10.5335 6.7919 20.7538 GPRESSAVG: 3136600 -40.892 -42.6398 -9.91384 -44.7448 31.4392 5.18706 -11.6471 6.76619 19.7877 TIMING: 3136600 CPU: 9974.67, 0.00311677/step Wall: 9974.67, 0.00311677/step, 1.61328 hours remaining, 233.816406 MB of memory in use. ENERGY: 3136600 3991.0581 20391.4932 14482.0534 260.7020 -203204.7945 2449.9055 0.0000 0.0000 52180.5690 -109449.0132 299.8824 -161629.5822 -109079.7956 299.3009 22.3599 49.4449 759843.7105 3.6865 3.4449 PRESSURE: 3136800 23.0095 -112.547 -105.286 -112.548 -260.392 -39.9618 -105.286 -39.9617 -18.3663 GPRESSURE: 3136800 129.932 10.4628 -41.219 -95.8928 -198.205 33.0626 -30.0099 59.9648 -98.8034 PRESSAVG: 3136800 -127.582 -65.5114 21.7442 -65.5114 123.691 17.3381 21.7441 17.3382 -4.70699 GPRESSAVG: 3136800 -129.594 -66.8151 20.8013 -62.4815 124.535 17.0202 21.3288 20.099 -3.12717 TIMING: 3136800 CPU: 9975.29, 0.00310721/step Wall: 9975.29, 0.00310721/step, 1.60815 hours remaining, 233.816406 MB of memory in use. ENERGY: 3136800 4051.6841 20409.2521 14458.6400 251.0926 -203129.3524 2196.1970 0.0000 0.0000 52367.8561 -109394.6305 300.9588 -161762.4866 -109019.8253 299.1026 -85.2496 -55.6919 759666.3821 -2.8659 -2.7288 PRESSURE: 3137000 -218.228 236.813 224.603 236.813 -365.188 446.756 224.602 446.757 37.7888 GPRESSURE: 3137000 -209.607 123.168 181.006 295.073 -301.855 337.338 168.039 460.56 74.8216 PRESSAVG: 3137000 35.4354 -35.181 31.5436 -35.181 -19.2404 35.1244 31.5436 35.1245 -0.242184 GPRESSAVG: 3137000 36.764 -32.6073 33.3097 -37.7166 -20.0281 35.6947 31.2443 33.7549 -0.638458 TIMING: 3137000 CPU: 9975.91, 0.00310885/step Wall: 9975.91, 0.00310885/step, 1.60883 hours remaining, 233.816406 MB of memory in use. ENERGY: 3137000 3959.3877 20561.6912 14502.0156 241.1230 -203419.8734 2634.6737 0.0000 0.0000 52301.0500 -109219.9321 300.5749 -161520.9821 -108851.6344 300.0522 -181.8756 -145.5468 760752.8729 5.3176 5.3658 PRESSURE: 3137200 -598.684 118.919 -190.315 118.919 -90.0129 161.78 -190.313 161.78 -48.1161 GPRESSURE: 3137200 -593.679 122.847 -351.67 132.079 5.16844 186.455 -31.8287 93.8985 -27.2347 PRESSAVG: 3137200 32.1209 -52.1859 7.27191 -52.186 9.72673 43.2755 7.27187 43.2755 -12.3522 GPRESSAVG: 3137200 31.6935 -53.8052 5.09162 -51.4984 10.5375 44.3908 9.11486 41.5957 -12.6805 TIMING: 3137200 CPU: 9976.53, 0.00309614/step Wall: 9976.53, 0.00309614/step, 1.60208 hours remaining, 233.816406 MB of memory in use. ENERGY: 3137200 4018.9258 20502.4365 14475.8168 223.0509 -202864.6139 2047.2983 0.0000 0.0000 52111.7579 -109485.3277 299.4870 -161597.0856 -109115.0844 299.2697 -245.6042 -205.2484 763203.8821 9.8318 9.8502 PRESSURE: 3137400 11.1903 -70.68 98.6188 -70.6801 -253.23 223.325 98.6178 223.325 -582.303 GPRESSURE: 3137400 146.807 -115.301 72.5778 61.8062 -303.002 308.111 19.3071 8.28872 -562.829 PRESSAVG: 3137400 31.5309 -9.51289 29.4855 -9.51275 13.5306 59.22 29.4855 59.22 2.7132 GPRESSAVG: 3137400 32.7115 -8.10445 32.4181 -10.3781 11.5755 59.2376 27.6418 58.7759 3.14903 TIMING: 3137400 CPU: 9977.15, 0.00312/step Wall: 9977.15, 0.00312/step, 1.61426 hours remaining, 233.816406 MB of memory in use. ENERGY: 3137400 4082.0720 20564.8196 14569.5945 247.7502 -203003.6311 2096.3241 0.0000 0.0000 52079.2782 -109363.7925 299.3003 -161443.0707 -109004.3827 299.6199 -274.7809 -239.6747 760133.0348 15.9249 15.8120 PRESSURE: 3137600 -85.5379 121.412 178.187 121.412 -195.996 -245.186 178.187 -245.186 -222.421 GPRESSURE: 3137600 -151.616 21.2629 186.784 69.3562 -43.2874 -212.291 107.273 -31.449 -225.855 PRESSAVG: 3137600 -6.08011 -18.0767 57.1814 -18.0768 1.17641 -16.6033 57.1814 -16.6033 11.0109 GPRESSAVG: 3137600 -7.42092 -20.2093 57.3573 -17.0928 1.41803 -16.5316 56.8768 -17.608 11.7391 TIMING: 3137600 CPU: 9977.78, 0.00311874/step Wall: 9977.78, 0.00311874/step, 1.61343 hours remaining, 233.816406 MB of memory in use. ENERGY: 3137600 4020.4663 20567.6512 14518.7499 268.5911 -203194.4245 2242.8037 0.0000 0.0000 52023.1407 -109553.0216 298.9777 -161576.1623 -109194.3005 299.5544 -167.9849 -140.2530 760802.7493 2.0357 1.9121 PRESSURE: 3137800 -214.278 -61.2049 -166.537 -61.2044 -138.902 111.468 -166.537 111.467 -344.199 GPRESSURE: 3137800 -228.801 8.0086 -218.52 29.6533 -76.7976 185.183 -226.246 153.703 -303.812 PRESSAVG: 3137800 21.9769 -46.7291 -37.2622 -46.7292 2.63633 -16.404 -37.2622 -16.404 9.1608 GPRESSAVG: 3137800 22.2622 -42.8046 -39.5859 -48.2925 3.16609 -16.7518 -37.8788 -13.1987 8.19994 TIMING: 3137800 CPU: 9978.4, 0.00312871/step Wall: 9978.4, 0.00312871/step, 1.61841 hours remaining, 233.816406 MB of memory in use. ENERGY: 3137800 3998.5874 20472.7980 14379.2411 248.5502 -202977.7163 2381.8696 0.0000 0.0000 52071.1070 -109425.5630 299.2534 -161496.6700 -109054.0750 299.0683 -232.4596 -203.1369 761594.8655 11.2580 11.2094 PRESSURE: 3138000 -330.233 -2.62009 -51.4908 -2.62083 -194.559 0.103713 -51.4906 0.1037 -313.258 GPRESSURE: 3138000 -337.967 -153.119 30.0448 49.3309 -144.802 23.9272 -53.3997 90.7922 -276.554 PRESSAVG: 3138000 -18.7351 -66.1374 -32.7297 -66.1373 -26.9092 17.3485 -32.7297 17.3485 12.8195 GPRESSAVG: 3138000 -19.0643 -68.2035 -30.9821 -62.6494 -25.0459 15.4685 -31.756 17.6517 11.2742 TIMING: 3138000 CPU: 9979.03, 0.00314319/step Wall: 9979.03, 0.00314319/step, 1.62573 hours remaining, 233.816406 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: 3138000 4041.8464 20524.6140 14431.3026 256.6822 -202366.5325 1928.7002 0.0000 0.0000 51945.9775 -109237.4095 298.5342 -161183.3870 -108880.0451 299.4066 -279.3504 -253.1079 762723.0765 -10.9416 -10.9453 PRESSURE: 3138200 124.309 -149.219 -71.5238 -149.219 -46.7429 56.3656 -71.5233 56.3653 192.172 GPRESSURE: 3138200 157.913 -121.163 -123.686 -199.123 11.6851 30.655 -17.5924 -68.3922 202.672 PRESSAVG: 3138200 85.265 -9.3472 -16.7565 -9.34721 -53.1989 -25.6437 -16.7565 -25.6437 4.56823 GPRESSAVG: 3138200 84.2745 -8.3906 -19.7926 -10.4735 -53.7247 -24.3425 -16.036 -25.99 5.68257 TIMING: 3138200 CPU: 9979.66, 0.00312983/step Wall: 9979.66, 0.00312983/step, 1.61864 hours remaining, 233.816406 MB of memory in use. ENERGY: 3138200 4127.7089 20622.5791 14431.8260 268.6807 -203242.8173 2446.9467 0.0000 0.0000 52237.7840 -109107.2920 300.2113 -161345.0760 -108755.0539 299.8357 89.9127 124.0899 760104.9246 12.2115 12.0774 PRESSURE: 3138400 221.885 279.557 167.682 279.557 234.678 116.296 167.682 116.297 149.604 GPRESSURE: 3138400 256.513 223.489 131.254 183.406 281.295 90.3392 226.66 -26.649 174.003 PRESSAVG: 3138400 24.3312 -36.4209 9.4666 -36.4209 17.0827 -2.67894 9.46659 -2.67893 -7.93123 GPRESSAVG: 3138400 25.4675 -39.0073 12.2274 -36.9726 15.2886 -1.86058 9.14817 -5.47744 -7.09002 TIMING: 3138400 CPU: 9980.28, 0.00312928/step Wall: 9980.28, 0.00312928/step, 1.61819 hours remaining, 233.816406 MB of memory in use. ENERGY: 3138400 4000.7224 20466.2770 14476.6276 245.4119 -202866.2016 2479.0947 0.0000 0.0000 52020.0733 -109177.9947 298.9601 -161198.0680 -108813.7172 299.7784 202.0557 237.2705 761077.3071 11.1609 11.2220 PRESSURE: 3138600 -45.0453 -211.924 -336.492 -211.924 -196.698 -43.6777 -336.492 -43.6769 -98.6602 GPRESSURE: 3138600 31.4108 -201.465 -268.328 -298.336 -276.163 -11.8222 -383.763 34.3669 -14.6894 PRESSAVG: 3138600 -5.16318 -20.9818 30.7551 -20.9818 -15.7285 34.8262 30.7551 34.8263 -26.2124 GPRESSAVG: 3138600 -5.81727 -19.2871 31.2413 -21.9097 -15.3282 34.1377 30.5374 36.3015 -25.8849 TIMING: 3138600 CPU: 9980.91, 0.00312917/step Wall: 9980.91, 0.00312917/step, 1.61796 hours remaining, 233.816406 MB of memory in use. ENERGY: 3138600 4094.2435 20515.9259 14527.0654 260.8267 -202921.9262 2271.1088 0.0000 0.0000 52240.0153 -109012.7406 300.2241 -161252.7560 -108657.9842 299.7302 -113.4680 -86.4806 760631.4674 -15.7014 -15.6768 PRESSURE: 3138800 144.297 -5.76485 -79.1704 -5.76406 42.4655 58.9011 -79.1711 58.901 -358.544 GPRESSURE: 3138800 30.5845 -13.2736 -114.923 -6.67782 102.486 116.113 -140.404 18.4315 -229.505 PRESSAVG: 3138800 -1.43626 -41.2488 -0.28361 -41.2487 11.3107 14.4864 -0.283547 14.4863 19.4739 GPRESSAVG: 3138800 -0.725719 -42.1896 -1.64954 -38.72 11.4048 13.3265 -0.736458 16.8011 18.4631 TIMING: 3138800 CPU: 9981.53, 0.0031186/step Wall: 9981.53, 0.0031186/step, 1.61232 hours remaining, 233.816406 MB of memory in use. ENERGY: 3138800 3971.7824 20537.4855 14545.7350 235.6454 -203145.5607 2399.8259 0.0000 0.0000 52196.5942 -109258.4922 299.9745 -161455.0864 -108904.5004 299.4280 -57.2605 -32.1448 760420.7909 9.7828 9.7141 PRESSURE: 3139000 -554.994 -210.835 -182.896 -210.835 -18.5486 12.7531 -182.896 12.7535 289.448 GPRESSURE: 3139000 -441.172 -76.315 -190.791 -73.0862 58.5081 -9.44164 -85.0548 -26.6575 167.994 PRESSAVG: 3139000 28.4493 -47.9879 -28.442 -47.988 -10.1637 14.5786 -28.4419 14.5786 9.43753 GPRESSAVG: 3139000 27.4737 -47.719 -29.2681 -48.611 -9.67669 16.0586 -27.7359 11.6648 10.4451 TIMING: 3139000 CPU: 9982.16, 0.00314707/step Wall: 9982.16, 0.00314707/step, 1.62686 hours remaining, 233.816406 MB of memory in use. ENERGY: 3139000 4008.7337 20572.4056 14576.2306 271.8395 -203146.8287 2446.2110 0.0000 0.0000 52033.9720 -109237.4363 299.0400 -161271.4083 -108877.7166 299.5134 -94.6982 -71.5569 762438.8359 9.2410 9.4140 PRESSURE: 3139200 306.189 -33.682 -10.4232 -33.6813 -70.1509 -50.2201 -10.4226 -50.2203 87.8316 GPRESSURE: 3139200 327.57 -119.43 -22.7937 43.7641 -27.8033 49.5412 -5.98292 -54.1237 100.324 PRESSAVG: 3139200 63.6729 -39.4308 13.7049 -39.4309 -60.2451 32.7909 13.7049 32.7908 2.05983 GPRESSAVG: 3139200 65.9382 -38.7264 14.6242 -41.4224 -61.758 33.0984 14.1963 36.5322 1.39554 TIMING: 3139200 CPU: 9982.79, 0.0031439/step Wall: 9982.79, 0.0031439/step, 1.62505 hours remaining, 233.816406 MB of memory in use. ENERGY: 3139200 3890.4769 20552.2295 14538.1847 227.7593 -203104.4392 2616.9696 0.0000 0.0000 52226.6962 -109052.1230 300.1475 -161278.8192 -108679.9484 299.4055 107.9565 133.3634 762779.4223 1.8292 1.8586 PRESSURE: 3139400 -200.448 -11.9501 88.1965 -11.9505 -282.784 32.2544 88.1972 32.254 41.1658 GPRESSURE: 3139400 -105.854 9.01096 81.0859 31.9666 -265.503 -62.7259 128.31 30.7454 21.9636 PRESSAVG: 3139400 50.4378 -62.4788 34.9111 -62.4789 -46.0534 9.64565 34.9111 9.64566 -13.9011 GPRESSAVG: 3139400 49.9509 -63.0735 36.0145 -61.39 -45.1978 8.33643 35.4176 8.00881 -13.9924 TIMING: 3139400 CPU: 9983.42, 0.00313493/step Wall: 9983.42, 0.00313493/step, 1.62024 hours remaining, 233.816406 MB of memory in use. ENERGY: 3139400 3982.3826 20472.8142 14539.3827 242.3637 -202634.8992 2200.4568 0.0000 0.0000 52201.7694 -108995.7296 300.0043 -161197.4990 -108619.9186 300.1015 -147.3554 -116.4646 762348.9774 -3.1722 -3.0798 PRESSURE: 3139600 78.8196 3.12132 -112.167 3.12125 -60.1294 -45.2942 -112.169 -45.2938 -217.866 GPRESSURE: 3139600 96.302 -51.2099 -94.1113 -138.09 17.8647 31.8379 -180.673 -94.3805 -211.252 PRESSAVG: 3139600 9.39552 -84.2134 -17.7386 -84.2135 -13.9296 -33.2683 -17.7386 -33.2682 8.29889 GPRESSAVG: 3139600 8.85994 -85.6447 -18.4859 -85.4225 -13.9347 -34.0518 -18.6932 -32.6802 8.57948 TIMING: 3139600 CPU: 9984.04, 0.00311214/step Wall: 9984.04, 0.00311214/step, 1.60829 hours remaining, 233.816406 MB of memory in use. ENERGY: 3139600 4036.1780 20515.8844 14522.2412 262.7612 -203055.8628 2605.2588 0.0000 0.0000 52020.8550 -109092.6842 298.9646 -161113.5392 -108732.8778 300.0015 -66.3920 -32.3618 760344.1739 1.2549 1.1682 PRESSURE: 3139800 -84.5862 0.689243 -30.8661 0.690485 303.909 -224.897 -30.8663 -224.897 -107.955 GPRESSURE: 3139800 53.9583 -55.6996 74.2719 -165.125 209.291 -312.528 -187.98 -201.951 -57.816 PRESSAVG: 3139800 22.3945 -41.2247 -13.1377 -41.2247 34.8661 -42.1788 -13.1377 -42.1788 12.7663 GPRESSAVG: 3139800 22.6357 -40.9608 -11.7103 -40.0546 34.5471 -41.3392 -11.8757 -42.4725 12.9706 TIMING: 3139800 CPU: 9984.66, 0.00310318/step Wall: 9984.66, 0.00310318/step, 1.60348 hours remaining, 233.816406 MB of memory in use. ENERGY: 3139800 4067.6421 20463.5271 14527.4210 247.1916 -202853.5904 2351.7889 0.0000 0.0000 51946.2506 -109249.7691 298.5358 -161196.0197 -108896.7716 300.0333 37.1225 68.4779 760884.0929 23.3423 23.3845 PRESSURE: 3140000 -142.315 18.3605 194.84 18.3596 -280.363 -129.536 194.84 -129.536 -52.2222 GPRESSURE: 3140000 -139.402 -66.0256 178.915 23.0988 -208.224 -130.029 90.4107 -129.656 -46.368 PRESSAVG: 3140000 -54.0264 -59.6275 28.0754 -59.6274 13.0925 -31.6294 28.0753 -31.6295 -4.46707 GPRESSAVG: 3140000 -53.8208 -58.2106 27.5669 -61.1609 13.8036 -32.8621 24.0143 -32.4378 -4.734 TIMING: 3140000 CPU: 9985.28, 0.00312046/step Wall: 9985.28, 0.00312046/step, 1.61224 hours remaining, 233.816406 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: 3140000 4117.5014 20550.8975 14475.5977 245.3030 -202912.7197 2251.8069 0.0000 0.0000 52118.2856 -109153.3276 299.5245 -161271.6132 -108796.6908 299.2757 -158.2998 -131.3312 760910.5582 -15.1337 -14.9171 PRESSURE: 3140200 -90.2929 -221.731 -197.065 -221.73 299.884 160.873 -197.066 160.873 374.311 GPRESSURE: 3140200 0.793024 -195.499 -191.541 -159.712 275.786 244.889 -129.882 145.166 369.763 PRESSAVG: 3140200 49.4785 -28.716 47.0207 -28.7159 -5.21762 -27.4755 47.0207 -27.4755 0.46035 GPRESSAVG: 3140200 49.3275 -29.4238 47.0833 -28.4985 -4.57915 -26.5696 48.9828 -27.9107 0.0508874 TIMING: 3140200 CPU: 9985.91, 0.00313097/step Wall: 9985.91, 0.00313097/step, 1.61749 hours remaining, 233.816406 MB of memory in use. ENERGY: 3140200 4024.4051 20490.4652 14551.1572 251.8205 -203091.9040 2483.0129 0.0000 0.0000 52255.6639 -109035.3792 300.3140 -161291.0431 -108670.0841 300.1249 194.6339 215.4470 761624.1962 14.9071 14.9331 LDB: ============= START OF LOAD BALANCING ============== 9998.33 LDB: ============== END OF LOAD BALANCING =============== 9998.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9998.33 LDB: ============= START OF LOAD BALANCING ============== 9998.65 LDB: Largest compute 7031 load 0.032203 is 16.5% of average load 0.195547 LDB: Average compute 0.004394 is 2.2% of average load 0.195547 LDB: TIME 9998.65 LOAD: AVG 0.195547 MAX 0.215094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 9998.65 LOAD: AVG 0.195547 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: TIME 9998.65 LOAD: AVG 0.195547 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: ============== END OF LOAD BALANCING =============== 9998.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9998.66 PRESSURE: 3140400 -82.8957 -58.3184 34.4054 -58.318 -147.914 -285.225 34.4053 -285.225 -453.401 GPRESSURE: 3140400 -72.3561 -55.0772 35.7641 14.9521 -146.995 -278.813 21.7978 -254.404 -384.288 PRESSAVG: 3140400 46.6747 -14.3217 -20.8853 -14.3218 -74.4244 -83.558 -20.8853 -83.558 -17.3305 GPRESSAVG: 3140400 46.3514 -12.9601 -21.0882 -14.3839 -76.0654 -82.7335 -19.6637 -83.7161 -15.8459 TIMING: 3140400 CPU: 9986.55, 0.00320776/step Wall: 9986.55, 0.00320776/step, 1.65698 hours remaining, 232.281250 MB of memory in use. ENERGY: 3140400 3997.0653 20541.8510 14583.2579 247.3825 -202748.2164 2320.7114 0.0000 0.0000 51890.7859 -109167.1623 298.2171 -161057.9483 -108811.6499 299.9967 -228.0701 -201.2130 762232.1027 -15.0267 -15.1866 PRESSURE: 3140600 86.1926 -166.609 143.639 -166.609 -108.271 -88.7287 143.639 -88.7268 -672.41 GPRESSURE: 3140600 98.7982 -202.668 179.625 -183.527 -130.483 -55.6135 126.172 -164.58 -604.393 PRESSAVG: 3140600 -8.02476 -40.6078 42.6906 -40.6077 23.0886 -12.8672 42.6905 -12.8671 8.72862 GPRESSAVG: 3140600 -8.59924 -41.384 41.5814 -40.9682 24.7068 -14.197 42.2534 -13.2564 8.1809 TIMING: 3140600 CPU: 9987.18, 0.00312579/step Wall: 9987.18, 0.00312579/step, 1.61447 hours remaining, 232.281250 MB of memory in use. ENERGY: 3140600 3948.0527 20456.2064 14596.5101 234.4142 -203251.8829 2519.7796 0.0000 0.0000 52316.2224 -109180.6976 300.6620 -161496.9199 -108814.2855 299.4858 -231.4962 -212.0261 762750.7839 7.9308 8.0962 PRESSURE: 3140800 0.56101 278.461 225.121 278.46 -271.831 -117.308 225.122 -117.307 0.0887026 GPRESSURE: 3140800 79.6289 307.202 221.474 206.429 -205.416 -120.827 45.2771 -71.1697 -70.0214 PRESSAVG: 3140800 27.3708 -27.8532 -0.29984 -27.8532 -14.701 -25.7455 -0.299827 -25.7454 -18.9901 GPRESSAVG: 3140800 26.1337 -28.2289 0.870181 -25.6528 -14.7923 -23.8661 -3.15765 -23.4675 -18.6379 TIMING: 3140800 CPU: 9987.8, 0.00311991/step Wall: 9987.8, 0.00311991/step, 1.61126 hours remaining, 232.281250 MB of memory in use. ENERGY: 3140800 4100.6829 20455.8220 14528.5499 234.9075 -202894.0996 2220.7063 0.0000 0.0000 52194.5349 -109158.8961 299.9627 -161353.4310 -108794.8233 299.7334 -90.3937 -65.2695 761861.5769 -2.1068 -2.4322 PRESSURE: 3141000 -51.3023 1.72528 -120.501 1.726 -137.769 -212.015 -120.5 -212.014 630.471 GPRESSURE: 3141000 23.0776 -62.8128 -121.742 18.0664 -73.6548 -171.465 -29.0921 -257.38 573.066 PRESSAVG: 3141000 63.2808 -37.6571 -20.9084 -37.6571 -1.31587 -31.7596 -20.9084 -31.7596 17.9147 GPRESSAVG: 3141000 64.805 -38.2694 -21.0361 -36.7139 -3.00093 -31.7781 -18.2993 -33.8256 17.9519 TIMING: 3141000 CPU: 9988.42, 0.0031187/step Wall: 9988.42, 0.0031187/step, 1.61046 hours remaining, 232.281250 MB of memory in use. ENERGY: 3141000 3940.2944 20514.2704 14581.2455 257.8721 -203120.0818 2506.2805 0.0000 0.0000 52098.8425 -109221.2764 299.4128 -161320.1189 -108849.1817 299.3981 147.1333 174.1629 761409.8745 26.6266 26.5853 PRESSURE: 3141200 -35.9559 110.729 -33.1583 110.729 9.99021 -41.8961 -33.1582 -41.8961 -427.114 GPRESSURE: 3141200 -93.2271 90.4015 22.9462 108.07 163.147 0.348896 -20.1556 -56.2664 -428.515 PRESSAVG: 3141200 54.6527 -40.9099 -0.93582 -40.9099 -62.9874 -42.2707 -0.935869 -42.2708 -21.5938 GPRESSAVG: 3141200 53.9173 -39.1126 -0.639305 -43.4334 -61.1569 -42.7264 0.214794 -41.4101 -22.9839 TIMING: 3141200 CPU: 9989.05, 0.00311681/step Wall: 9989.05, 0.00311681/step, 1.60931 hours remaining, 232.281250 MB of memory in use. ENERGY: 3141200 4004.8106 20472.1678 14512.1924 253.1222 -203085.6689 2499.5933 0.0000 0.0000 52202.1364 -109141.6460 300.0064 -161343.7824 -108779.1379 299.7640 -151.0264 -119.5316 761083.9121 -9.9761 -10.0745 PRESSURE: 3141400 -429.321 -182.958 97.6436 -182.958 -116.095 181.433 97.6427 181.433 -324.367 GPRESSURE: 3141400 -392.125 -122.316 161.535 -183.993 -102.02 138.989 63.0786 97.7266 -296.687 PRESSAVG: 3141400 94.9367 -25.6229 -4.11296 -25.6228 -62.1514 -22.594 -4.11296 -22.5941 -8.31997 GPRESSAVG: 3141400 95.9062 -27.5679 -3.49383 -24.2167 -64.2137 -21.6384 -5.76974 -23.8527 -6.91726 TIMING: 3141400 CPU: 9989.67, 0.00311924/step Wall: 9989.67, 0.00311924/step, 1.61039 hours remaining, 232.281250 MB of memory in use. ENERGY: 3141400 3965.8719 20454.1860 14520.1785 277.7857 -202767.3474 2337.4903 0.0000 0.0000 52017.3899 -109194.4451 298.9447 -161211.8350 -108828.7687 299.5657 -289.9275 -263.6105 762848.0264 8.1551 8.2584 PRESSURE: 3141600 -222.699 -61.9391 95.3316 -61.9385 -256.87 -85.2019 95.3316 -85.2002 -206.903 GPRESSURE: 3141600 -242.163 -78.0741 68.6103 -33.5477 -167.032 -132.421 -2.66985 32.9736 -201.242 PRESSAVG: 3141600 10.2173 -56.1635 10.9579 -56.1634 0.733958 -8.83806 10.9578 -8.83806 -0.725572 GPRESSAVG: 3141600 9.32924 -54.6022 11.5589 -56.6593 3.5948 -11.0966 11.2995 -4.8024 -2.77093 TIMING: 3141600 CPU: 9990.3, 0.00312617/step Wall: 9990.3, 0.00312617/step, 1.6138 hours remaining, 232.281250 MB of memory in use. ENERGY: 3141600 4029.0154 20582.5453 14534.4795 248.4805 -202791.7224 2266.4902 0.0000 0.0000 51944.7734 -109185.9381 298.5273 -161130.7115 -108828.1101 299.6404 -228.8242 -203.4790 763432.1765 3.4086 3.3844 PRESSURE: 3141800 34.2953 -132.126 85.6066 -132.126 -58.4484 -51.2446 85.6068 -51.2444 -66.4749 GPRESSURE: 3141800 46.0381 2.34159 99.9208 -242.442 -15.7566 -47.6448 73.0566 -133.43 -33.899 PRESSAVG: 3141800 66.2705 -42.9432 11.6935 -42.9432 -29.3229 -63.2125 11.6934 -63.2124 13.4549 GPRESSAVG: 3141800 67.5024 -42.8563 10.4178 -41.6668 -30.2137 -61.8885 13.4647 -64.8202 13.2573 TIMING: 3141800 CPU: 9990.92, 0.00311583/step Wall: 9990.92, 0.00311583/step, 1.60829 hours remaining, 232.351562 MB of memory in use. ENERGY: 3141800 4013.3995 20577.5803 14589.4170 258.3179 -203612.7193 2705.1258 0.0000 0.0000 52101.2336 -109367.6451 299.4265 -161468.8787 -109004.4328 299.8775 -30.2093 -1.2058 759727.5555 16.8008 16.8487 PRESSURE: 3142000 151.984 -22.6714 -63.0009 -22.6728 -39.036 -28.6709 -63.0011 -28.6713 100.286 GPRESSURE: 3142000 161.801 -63.4753 -43.4669 72.7185 -12.7101 21.7413 -92.4447 -127.852 162.724 PRESSAVG: 3142000 5.29655 -29.8364 -27.6981 -29.8364 -43.3759 -26.4124 -27.6982 -26.4124 2.878 GPRESSAVG: 3142000 4.58115 -32.0312 -26.5339 -29.9148 -44.1887 -26.1047 -30.0248 -27.1741 4.55727 TIMING: 3142000 CPU: 9991.54, 0.00311209/step Wall: 9991.54, 0.00311209/step, 1.60618 hours remaining, 232.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 3994.1186 20447.9842 14472.1165 246.3590 -203140.6249 2512.2243 0.0000 0.0000 52226.8087 -109241.0136 300.1482 -161467.8224 -108875.2793 299.3492 71.0780 103.9383 759784.4783 -11.7338 -11.6834 PRESSURE: 3142200 -159.611 34.36 -30.7875 34.3593 263.496 -144.382 -30.7872 -144.381 -183.652 GPRESSURE: 3142200 -110.296 -42.9809 42.1004 -6.60791 333.35 -104.674 10.2421 -199.082 -198.73 PRESSAVG: 3142200 -0.0735322 -65.084 -23.8691 -65.084 5.57843 -16.5841 -23.8692 -16.5842 2.13342 GPRESSAVG: 3142200 0.292813 -62.5677 -23.98 -65.4674 5.96053 -17.0895 -21.9733 -16.1921 1.9472 TIMING: 3142200 CPU: 9992.17, 0.00314671/step Wall: 9992.17, 0.00314671/step, 1.62388 hours remaining, 232.351562 MB of memory in use. ENERGY: 3142200 4101.0214 20465.1146 14486.2761 269.2354 -203627.0221 2852.9443 0.0000 0.0000 52201.1688 -109251.2616 300.0008 -161452.4303 -108895.0253 299.2962 -26.5889 8.1080 761103.3849 2.5461 2.7335 PRESSURE: 3142400 -57.9301 -151.735 -81.1513 -151.736 49.0827 240.8 -81.1507 240.8 161.483 GPRESSURE: 3142400 -65.002 -190.344 -51.8189 -84.7656 84.1992 64.4233 12.8609 254.332 222.652 PRESSAVG: 3142400 -2.51956 -72.6506 -6.84217 -72.6505 -10.5181 -3.32008 -6.84215 -3.32001 16.3341 GPRESSAVG: 3142400 -3.2344 -74.15 -5.73633 -71.8333 -9.8798 -4.39547 -7.13479 -4.32235 15.9632 TIMING: 3142400 CPU: 9992.8, 0.00312686/step Wall: 9992.8, 0.00312685/step, 1.61346 hours remaining, 232.351562 MB of memory in use. ENERGY: 3142400 4040.3387 20462.1566 14431.2549 235.5775 -203001.7354 2346.0323 0.0000 0.0000 52275.0565 -109211.3190 300.4255 -161486.3754 -108839.2155 299.7717 50.8786 80.6165 760571.3983 1.0988 0.9497 PRESSURE: 3142600 -81.7383 -62.1518 -55.4395 -62.1523 -46.9955 59.7879 -55.4398 59.7886 -106.825 GPRESSURE: 3142600 -26.0123 -71.0349 -4.72215 -70.9406 -62.2836 66.3446 -25.8955 176.949 -76.9704 PRESSAVG: 3142600 -7.37662 -20.6832 -3.55655 -20.6832 -5.39389 31.5178 -3.55663 31.5177 9.10673 GPRESSAVG: 3142600 -6.12756 -19.8663 -5.22283 -20.9355 -7.19376 32.2161 -4.81101 32.7754 9.41179 TIMING: 3142600 CPU: 9993.42, 0.00311356/step Wall: 9993.42, 0.00311356/step, 1.60642 hours remaining, 232.351562 MB of memory in use. ENERGY: 3142600 3966.6621 20550.9914 14497.7911 258.7427 -202654.1586 1999.2723 0.0000 0.0000 52301.0021 -109079.6969 300.5746 -161380.6990 -108710.2407 299.8893 -78.5197 -55.0888 761597.9186 -1.2213 -1.3032 PRESSURE: 3142800 -183.434 -147.111 -121.826 -147.111 -195.614 72.978 -121.827 72.9794 -428.87 GPRESSURE: 3142800 -177.53 -180.674 -80.6204 -147.351 -109.54 40.744 -123.838 97.6057 -424.703 PRESSAVG: 3142800 1.30916 -77.7644 -26.7622 -77.7643 -15.0221 -26.3638 -26.7623 -26.3637 -2.15395 GPRESSAVG: 3142800 -0.683076 -78.4497 -27.4405 -78.8544 -12.6976 -26.4338 -25.5798 -26.8602 -2.19307 TIMING: 3142800 CPU: 9994.04, 0.0031021/step Wall: 9994.04, 0.0031021/step, 1.60034 hours remaining, 232.351562 MB of memory in use. ENERGY: 3142800 4025.4724 20565.3131 14488.2144 237.7178 -203178.5329 2406.4180 0.0000 0.0000 52171.9019 -109283.4953 299.8326 -161455.3972 -108912.7235 299.6648 -269.3064 -237.2575 761402.6436 -5.2890 -5.1913 PRESSURE: 3143000 -49.5977 -29.6159 72.8875 -29.6161 -176.614 -29.009 72.8874 -29.0086 -5.74749 GPRESSURE: 3143000 -14.8278 134.367 -131.256 3.49082 -184.9 -21.4301 78.7247 31.7703 58.5364 PRESSAVG: 3143000 -6.09889 -65.5842 15.1167 -65.5842 -62.9968 -8.93613 15.1167 -8.93612 25.4613 GPRESSAVG: 3143000 -5.52152 -63.8191 12.8674 -62.664 -64.2449 -8.19023 16.6211 -10.0815 26.3029 TIMING: 3143000 CPU: 9994.66, 0.00310889/step Wall: 9994.66, 0.00310889/step, 1.60367 hours remaining, 232.351562 MB of memory in use. ENERGY: 3143000 3961.4167 20597.7986 14542.3211 239.7494 -203132.2947 2417.8833 0.0000 0.0000 51789.2840 -109583.8416 297.6337 -161373.1255 -109239.9775 299.3977 -77.3197 -47.0639 760400.3136 -14.5448 -14.4878 PRESSURE: 3143200 -218.894 70.6441 73.3346 70.6439 56.2965 -5.3525 73.3345 -5.35032 -5.38353 GPRESSURE: 3143200 -103.162 54.9347 90.8309 -39.5701 19.9142 40.579 106.67 -56.0284 8.08151 PRESSAVG: 3143200 32.0439 -90.1964 20.6025 -90.1964 1.34796 45.9953 20.6025 45.9952 -2.95207 GPRESSAVG: 3143200 33.8478 -91.0679 21.2407 -92.8846 0.370735 44.7181 19.6392 46.7491 -3.72529 TIMING: 3143200 CPU: 9995.28, 0.00310951/step Wall: 9995.28, 0.00310951/step, 1.60382 hours remaining, 232.351562 MB of memory in use. ENERGY: 3143200 3953.3597 20481.8022 14441.1258 255.8929 -203098.4897 2327.7906 0.0000 0.0000 52069.2158 -109569.3028 299.2425 -161638.5185 -109206.4170 298.7524 -55.9938 -25.0555 759425.9902 10.1466 10.1644 PRESSURE: 3143400 108.836 -114.132 -57.953 -114.133 -248.827 -122.948 -57.9523 -122.949 -48.743 GPRESSURE: 3143400 198.029 -81.713 48.7363 -63.6148 -203.941 -85.6392 -53.3518 -103.939 -74.7236 PRESSAVG: 3143400 32.8405 19.7114 66.4292 19.7115 -5.30539 -27.4472 66.4293 -27.4471 9.73266 GPRESSAVG: 3143400 31.4999 20.7703 69.4279 20.2354 -4.61045 -28.4586 66.5245 -24.9742 10.2319 TIMING: 3143400 CPU: 9995.91, 0.00312613/step Wall: 9995.91, 0.00312613/step, 1.61221 hours remaining, 232.351562 MB of memory in use. ENERGY: 3143400 4072.1695 20470.4068 14505.3478 238.5849 -203403.7326 2480.3495 0.0000 0.0000 52259.2755 -109377.5986 300.3348 -161636.8741 -109024.6276 299.2128 -62.9112 -26.8786 761457.8757 12.4226 12.3738 PRESSURE: 3143600 213.347 38.5013 103.722 38.5005 -97.4737 13.0756 103.723 13.0755 257.285 GPRESSURE: 3143600 207.843 178.43 64.607 106.324 -22.1605 -22.8962 139.992 29.2035 263.439 PRESSAVG: 3143600 5.2999 -23.2525 12.7616 -23.2525 -13.3769 -48.8383 12.7616 -48.8384 0.663674 GPRESSAVG: 3143600 5.35557 -25.7468 12.8503 -23.1566 -13.0162 -47.1668 11.9473 -51.2965 -0.0658786 TIMING: 3143600 CPU: 9996.53, 0.00311177/step Wall: 9996.53, 0.00311177/step, 1.60464 hours remaining, 232.351562 MB of memory in use. ENERGY: 3143600 3922.2708 20569.8822 14593.7774 240.1002 -203643.1647 2693.7857 0.0000 0.0000 52288.5272 -109334.8212 300.5029 -161623.3484 -108958.9357 299.6135 124.3863 149.7070 762959.0430 -2.4711 -2.5755 PRESSURE: 3143800 -95.3818 -197.431 70.1719 -197.431 -109.178 -87.6715 70.1718 -87.6722 49.6653 GPRESSURE: 3143800 1.79378 -204.433 85.363 -164.628 -103.893 -119.816 11.7956 109.028 33.0243 PRESSAVG: 3143800 52.7842 -10.8259 -8.70634 -10.8259 -1.27278 -14.101 -8.70633 -14.101 -2.1757 GPRESSAVG: 3143800 52.3817 -8.02804 -9.86592 -10.3712 -1.27961 -13.3907 -10.1417 -14.6587 -1.61898 TIMING: 3143800 CPU: 9997.16, 0.0031277/step Wall: 9997.16, 0.0031277/step, 1.61268 hours remaining, 232.351562 MB of memory in use. ENERGY: 3143800 4001.4645 20399.8738 14537.8338 247.4650 -203642.4201 2601.1534 0.0000 0.0000 52347.9925 -109506.6372 300.8446 -161854.6296 -109130.9999 299.6286 -51.6315 -23.0250 762134.6854 16.4452 16.4944 PRESSURE: 3144000 -61.8242 57.4943 261.937 57.4948 155.176 -164.759 261.937 -164.759 257.513 GPRESSURE: 3144000 7.68873 125.468 215.451 11.6887 242.802 -193.736 246.724 -337.546 182.762 PRESSAVG: 3144000 30.3871 44.6442 12.8272 44.6441 -22.6617 -1.3522 12.8272 -1.35209 12.4004 GPRESSAVG: 3144000 30.7602 45.1452 12.7 43.205 -23.127 -3.1537 13.3381 0.928047 12.348 TIMING: 3144000 CPU: 9997.78, 0.00311382/step Wall: 9997.78, 0.00311382/step, 1.60535 hours remaining, 232.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 3954.8244 20630.1435 14493.1046 251.2179 -203582.9078 2472.3568 0.0000 0.0000 52098.0330 -109683.2276 299.4081 -161781.2606 -109318.9437 299.0966 116.9549 144.4175 761312.0315 6.7086 6.6604 PRESSURE: 3144200 64.9867 -227.373 2.62036 -227.373 91.2034 -102.319 2.62067 -102.319 23.9642 GPRESSURE: 3144200 72.8567 -174.808 104.179 -115.756 102.059 -56.6271 -62.4714 -53.2033 95.666 PRESSAVG: 3144200 49.2641 -36.5816 45.8444 -36.5815 -8.2402 6.36862 45.8443 6.36863 -1.50432 GPRESSAVG: 3144200 48.6252 -39.4197 45.5461 -35.0984 -8.24672 6.45918 45.4844 6.58859 -0.812593 TIMING: 3144200 CPU: 9998.41, 0.00312671/step Wall: 9998.41, 0.00312671/step, 1.61182 hours remaining, 232.351562 MB of memory in use. ENERGY: 3144200 3981.2470 20499.7108 14541.0836 263.6413 -203240.1022 2463.4173 0.0000 0.0000 51915.6187 -109575.3835 298.3598 -161491.0022 -109209.1908 298.9395 60.0514 90.1938 760793.0375 13.1732 13.1886 LDB: ============= START OF LOAD BALANCING ============== 10010.8 LDB: ============== END OF LOAD BALANCING =============== 10010.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10010.8 LDB: ============= START OF LOAD BALANCING ============== 10011.1 LDB: Largest compute 7031 load 0.030342 is 15.5% of average load 0.195605 LDB: Average compute 0.004368 is 2.2% of average load 0.195605 LDB: TIME 10011.1 LOAD: AVG 0.195605 MAX 0.215185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 10011.1 LOAD: AVG 0.195605 MAX 0.215185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 10011.1 LOAD: AVG 0.195605 MAX 0.215185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 10011.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10011.1 PRESSURE: 3144400 -30.1017 -109.868 13.0256 -109.869 321.379 43.9389 13.025 43.9383 202.001 GPRESSURE: 3144400 32.1668 -160.966 140.037 -70.8145 421.551 7.25372 46.0838 -91.7547 113.991 PRESSAVG: 3144400 44.467 -6.5911 -17.0869 -6.59108 -22.8549 -25.0084 -17.0869 -25.0085 -2.2421 GPRESSAVG: 3144400 44.5498 -6.05508 -16.3224 -6.99623 -22.4079 -24.3956 -16.0898 -27.4098 -2.63755 TIMING: 3144400 CPU: 9999.04, 0.00319253/step Wall: 9999.04, 0.00319253/step, 1.64557 hours remaining, 234.843750 MB of memory in use. ENERGY: 3144400 3933.0214 20559.4925 14445.6402 241.5921 -203473.4467 2621.5762 0.0000 0.0000 52217.4339 -109454.6903 300.0943 -161672.1242 -109090.9961 299.4279 164.4261 189.2360 760696.0953 6.4567 6.5014 PRESSURE: 3144600 -275.702 21.1119 -71.7325 21.1122 142.473 -63.0013 -71.7322 -63.0021 31.3485 GPRESSURE: 3144600 -244.529 108.654 -99.9368 89.8851 148.959 -95.7254 -7.80504 -146.437 69.6811 PRESSAVG: 3144600 -10.1156 -6.98124 20.1327 -6.98123 27.1255 0.0828871 20.1327 0.0828361 1.6072 GPRESSAVG: 3144600 -10.4386 -5.08013 20.0738 -7.84453 28.1695 -1.29025 19.7673 -0.796961 0.827506 TIMING: 3144600 CPU: 9999.67, 0.00311439/step Wall: 9999.67, 0.00311439/step, 1.60512 hours remaining, 235.046875 MB of memory in use. ENERGY: 3144600 3991.0129 20548.5322 14438.1581 250.1452 -203463.7997 2544.8279 0.0000 0.0000 51943.8740 -109747.2492 298.5222 -161691.1233 -109374.1530 298.9801 -33.9600 -8.6298 760502.9618 6.2057 6.1861 PRESSURE: 3144800 -314.257 33.3662 72.4802 33.3666 66.6495 -89.5951 72.4808 -89.5959 -483.427 GPRESSURE: 3144800 -155.099 50.5026 64.2752 -7.25548 -17.998 -119.618 -63.57 -134.507 -462.621 PRESSAVG: 3144800 -19.9549 2.17845 8.72846 2.17851 17.1562 -30.8179 8.72852 -30.818 4.65924 GPRESSAVG: 3144800 -18.628 -0.0502935 8.26278 2.93307 14.7679 -30.1651 8.35934 -27.3506 5.71476 TIMING: 3144800 CPU: 10000.3, 0.00313375/step Wall: 10000.3, 0.00313375/step, 1.61492 hours remaining, 235.367188 MB of memory in use. ENERGY: 3144800 4010.9592 20418.2978 14468.0592 238.1107 -202992.6223 2215.6396 0.0000 0.0000 51837.1129 -109804.4430 297.9086 -161641.5558 -109440.8074 298.5940 -243.6782 -211.9060 761849.4534 0.6202 0.6182 PRESSURE: 3145000 433.793 -62.7101 40.7299 -62.7098 -159.209 62.0507 40.7298 62.0506 62.4357 GPRESSURE: 3145000 414.794 -53.3047 69.7581 -41.1825 -133.996 135.924 67.1759 52.3572 136.275 PRESSAVG: 3145000 -10.4026 -27.7677 46.2375 -27.7677 -8.18141 5.01637 46.2375 5.01631 7.00845 GPRESSAVG: 3145000 -11.1386 -27.3714 47.148 -27.1967 -6.0922 4.53216 46.5567 4.79398 6.17349 TIMING: 3145000 CPU: 10000.9, 0.00314452/step Wall: 10000.9, 0.00314452/step, 1.6203 hours remaining, 235.367188 MB of memory in use. ENERGY: 3145000 3958.1803 20421.9516 14537.9981 252.1926 -203387.7069 2452.2462 0.0000 0.0000 51965.2745 -109799.8634 298.6451 -161765.1379 -109445.2936 298.4751 112.3401 139.0242 760705.7152 -3.8585 -3.6858 PRESSURE: 3145200 178.051 23.0043 46.4385 23.0051 -256.087 220.746 46.4377 220.745 -149.876 GPRESSURE: 3145200 229.291 64.4158 43.3342 11.298 -264.11 242.975 91.3012 373.441 -113.472 PRESSAVG: 3145200 20.1341 -6.50796 -13.4446 -6.50798 -7.71889 30.8645 -13.4446 30.8645 17.612 GPRESSAVG: 3145200 20.8648 -6.5925 -13.9811 -8.87695 -9.26013 33.3597 -12.7472 27.1277 18.4192 TIMING: 3145200 CPU: 10001.5, 0.0031279/step Wall: 10001.5, 0.0031279/step, 1.61157 hours remaining, 235.367188 MB of memory in use. ENERGY: 3145200 3993.1011 20515.9469 14477.6919 254.9873 -203590.9463 2438.5163 0.0000 0.0000 52200.5900 -109710.1129 299.9975 -161910.7029 -109360.6185 298.8152 -75.9707 -49.4300 759106.1549 10.0091 10.0080 PRESSURE: 3145400 -324.196 65.352 136.399 65.3519 -323.625 101.505 136.399 101.505 -60.2312 GPRESSURE: 3145400 -322.773 -60.3271 166.642 100.132 -208.613 62.7115 -1.92421 110.866 -71.7996 PRESSAVG: 3145400 -28.3242 -17.5934 -20.9961 -17.5934 9.68673 24.8381 -20.9961 24.8381 -16.0105 GPRESSAVG: 3145400 -28.5734 -17.0965 -21.3207 -15.7026 11.2258 23.3245 -22.8124 26.8903 -16.3679 TIMING: 3145400 CPU: 10002.2, 0.00314391/step Wall: 10002.2, 0.0031439/step, 1.61964 hours remaining, 235.367188 MB of memory in use. ENERGY: 3145400 3953.6931 20661.7049 14492.0806 248.3307 -203194.1132 2355.4626 0.0000 0.0000 51724.0113 -109758.8299 297.2586 -161482.8413 -109398.1808 298.6367 -236.0174 -201.0617 761647.9627 -11.5493 -11.2385 PRESSURE: 3145600 -194.78 163.695 -26.5897 163.694 -102.523 -151.146 -26.5898 -151.147 66.3042 GPRESSURE: 3145600 -121.701 51.051 -95.7013 152.958 -44.6559 -131.737 -158.163 -270.53 12.0057 PRESSAVG: 3145600 -60.0419 -27.9447 25.0615 -27.9447 25.2188 -34.0436 25.0615 -34.0436 -17.7674 GPRESSAVG: 3145600 -59.5817 -26.3128 23.6245 -29.3944 24.4413 -34.0025 27.0077 -33.2335 -17.6056 TIMING: 3145600 CPU: 10002.8, 0.00312262/step Wall: 10002.8, 0.00312262/step, 1.60849 hours remaining, 235.367188 MB of memory in use. ENERGY: 3145600 3970.0787 20533.1822 14481.2494 265.4139 -203334.5972 2393.4064 0.0000 0.0000 51756.0732 -109935.1935 297.4429 -161691.2667 -109562.1503 298.3816 -76.9995 -51.4504 760561.4508 -17.5302 -17.5820 PRESSURE: 3145800 -193.817 78.6633 -111.598 78.6639 0.117601 173.527 -111.6 173.527 -294.516 GPRESSURE: 3145800 -198.791 133.195 -149.225 132.849 20.3058 199.391 -105.627 50.1068 -214.991 PRESSAVG: 3145800 -55.8006 6.2502 31.7213 6.25021 71.8469 -14.075 31.7213 -14.075 1.67078 GPRESSAVG: 3145800 -56.1003 3.75622 32.8007 6.41575 71.6996 -13.2116 30.6936 -17.1004 2.06472 TIMING: 3145800 CPU: 10003.4, 0.0031247/step Wall: 10003.4, 0.0031247/step, 1.60939 hours remaining, 235.367188 MB of memory in use. ENERGY: 3145800 3944.2754 20531.4171 14521.2161 251.6943 -203417.8287 2283.6525 0.0000 0.0000 51985.1338 -109900.4396 298.7593 -161885.5734 -109538.2000 298.4111 -162.7386 -131.1589 760790.2941 5.9057 5.8880 PRESSURE: 3146000 -172.397 102.034 121.554 102.034 -30.2633 220.882 121.554 220.881 403.717 GPRESSURE: 3146000 -81.2324 107.469 133.007 59.4408 -28.7826 211.54 61.7476 187.244 395.976 PRESSAVG: 3146000 28.2626 -1.56977 -13.4319 -1.56973 16.4728 36.368 -13.4319 36.368 -16.366 GPRESSAVG: 3146000 28.0792 -1.94451 -12.8969 -0.776205 17.5787 34.7338 -13.9109 39.802 -16.9619 TIMING: 3146000 CPU: 10004.1, 0.00311921/step Wall: 10004.1, 0.00311921/step, 1.6064 hours remaining, 235.367188 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: 3146000 3984.6907 20461.9255 14508.7099 233.3765 -203589.9631 2647.2589 0.0000 0.0000 51945.5054 -109808.4962 298.5315 -161754.0017 -109442.2251 298.3213 67.0190 95.3203 760065.5909 9.4565 9.5654 PRESSURE: 3146200 102.883 -81.8382 -176.06 -81.838 41.0733 -68.3105 -176.06 -68.3103 43.4708 GPRESSURE: 3146200 146.275 2.02749 -172.514 -158.376 -18.6827 -80.6429 -73.5988 -74.4574 150.077 PRESSAVG: 3146200 32.8485 9.6158 -2.91851 9.61576 0.982903 58.5712 -2.91856 58.5712 21.276 GPRESSAVG: 3146200 33.4209 11.1187 -4.41862 8.80769 -0.314772 59.8181 -1.16929 58.6111 22.0147 TIMING: 3146200 CPU: 10004.7, 0.00311041/step Wall: 10004.7, 0.00311042/step, 1.60169 hours remaining, 235.367188 MB of memory in use. ENERGY: 3146200 4069.1469 20407.5072 14624.5320 264.4240 -203808.7467 2713.6330 0.0000 0.0000 52117.1856 -109612.3179 299.5182 -161729.5035 -109257.3921 298.9872 62.4757 92.5565 760544.9831 18.3691 18.3736 PRESSURE: 3146400 160.641 -121.845 17.9338 -121.844 -128.654 -121.076 17.9347 -121.077 345.222 GPRESSURE: 3146400 82.9729 -132.567 75.8207 -158.58 57.3183 -168.768 -94.8408 -85.3529 327.529 PRESSAVG: 3146400 -15.5194 -86.4064 27.4924 -86.4064 -10.3325 -28.6205 27.4924 -28.6205 26.2234 GPRESSAVG: 3146400 -17.283 -84.637 28.9087 -85.7802 -9.48479 -28.7792 26.7897 -30.4254 25.9417 TIMING: 3146400 CPU: 10005.3, 0.00311274/step Wall: 10005.3, 0.00311274/step, 1.60271 hours remaining, 235.367188 MB of memory in use. ENERGY: 3146400 3975.2632 20385.4700 14485.5601 235.1219 -204042.2843 2877.6016 0.0000 0.0000 52303.0891 -109780.1783 300.5866 -162083.2674 -109405.4369 299.1388 125.7361 155.9400 760482.9911 0.1238 -0.2754 PRESSURE: 3146600 -118.016 -38.2872 152.714 -38.2872 90.5768 145.278 152.713 145.277 -294.491 GPRESSURE: 3146600 -63.629 -126.241 122.53 -85.3594 82.8558 23.1381 207.018 147.725 -247.01 PRESSAVG: 3146600 -20.9667 -76.0395 15.4472 -76.0396 65.9589 2.89719 15.4472 2.89715 27.3669 GPRESSAVG: 3146600 -20.6711 -78.8923 14.6839 -76.1293 67.0661 1.60722 17.7608 4.45087 26.2333 TIMING: 3146600 CPU: 10005.9, 0.00310287/step Wall: 10005.9, 0.00310287/step, 1.59746 hours remaining, 235.367188 MB of memory in use. ENERGY: 3146600 4004.2366 20441.6220 14539.2053 260.5342 -203282.1791 2507.3771 0.0000 0.0000 51856.4568 -109672.7471 298.0198 -161529.2039 -109304.5824 298.9599 -107.3098 -75.9276 761003.5239 24.1197 24.2094 PRESSURE: 3146800 109.01 60.3942 -151.99 60.3939 -238.889 -193.575 -151.99 -193.575 -194.187 GPRESSURE: 3146800 -8.83652 108.984 -155.313 74.7556 -116.27 -295.387 -102.83 -78.6108 -121.631 PRESSAVG: 3146800 13.3878 -60.2725 -24.5652 -60.2725 -9.83621 35.4989 -24.5652 35.4989 -2.89649 GPRESSAVG: 3146800 14.4544 -59.2395 -25.135 -61.4656 -11.1544 35.6339 -24.8981 34.1584 -1.96369 TIMING: 3146800 CPU: 10006.5, 0.00310507/step Wall: 10006.5, 0.00310507/step, 1.59842 hours remaining, 235.367188 MB of memory in use. ENERGY: 3146800 4025.8629 20538.7304 14588.3011 217.7976 -203735.1969 2599.3215 0.0000 0.0000 52172.6698 -109592.5136 299.8371 -161765.1834 -109213.3939 299.2028 -108.0221 -82.2457 760052.9634 0.2184 0.4455 PRESSURE: 3147000 -96.844 16.6521 78.2087 16.6525 -218.242 -73.8221 78.2089 -73.8216 257.276 GPRESSURE: 3147000 19.531 54.4826 47.7846 115.759 -187.621 -19.2065 8.56057 -69.3726 184.754 PRESSAVG: 3147000 16.1368 -45.0724 -47.1666 -45.0723 -15.2022 9.40145 -47.1666 9.40142 -5.32543 GPRESSAVG: 3147000 16.1015 -45.2491 -47.9475 -44.7636 -15.0669 11.2534 -48.8128 7.79378 -5.54271 TIMING: 3147000 CPU: 10007.2, 0.00313687/step Wall: 10007.2, 0.00313687/step, 1.61462 hours remaining, 235.367188 MB of memory in use. ENERGY: 3147000 4023.3866 20399.3210 14547.7622 257.4610 -203482.5357 2778.9485 0.0000 0.0000 51902.4367 -109573.2198 298.2840 -161475.6564 -109216.9554 298.9766 -19.2702 5.5547 762145.5018 -1.4636 -1.5027 PRESSURE: 3147200 64.2482 -19.1358 -93.5903 -19.1363 12.2284 -143.413 -93.5906 -143.413 511.982 GPRESSURE: 3147200 123.713 -108.124 -150.714 -15.2946 0.995908 -164.357 -221.696 -54.6604 541.642 PRESSAVG: 3147200 -14.6759 -27.6598 -9.2541 -27.6598 -26.3525 27.7675 -9.25409 27.7675 -5.45821 GPRESSAVG: 3147200 -15.8562 -27.1268 -9.38194 -27.3939 -26.3817 27.7945 -10.8956 29.801 -4.26528 TIMING: 3147200 CPU: 10007.8, 0.00310465/step Wall: 10007.8, 0.00310465/step, 1.59786 hours remaining, 235.367188 MB of memory in use. ENERGY: 3147200 3950.1308 20430.3035 14601.7187 254.3456 -203503.0016 2668.1430 0.0000 0.0000 52169.8621 -109428.4980 299.8209 -161598.3600 -109064.3863 299.1287 196.1529 222.1169 760070.3417 -15.4955 -15.5011 PRESSURE: 3147400 -160.03 100.706 55.0102 100.706 221.186 -150.249 55.0101 -150.248 -347.125 GPRESSURE: 3147400 -32.1439 156.35 185.986 100.873 163.956 -220.169 93.9187 -62.6915 -353.05 PRESSAVG: 3147400 -14.6767 8.46372 -68.2339 8.46373 27.1214 -37.3289 -68.2339 -37.3289 -16.3903 GPRESSAVG: 3147400 -13.3719 6.19329 -66.3349 8.38219 26.2257 -36.5148 -66.9489 -37.4959 -17.522 TIMING: 3147400 CPU: 10008.4, 0.0031263/step Wall: 10008.4, 0.0031263/step, 1.60883 hours remaining, 235.367188 MB of memory in use. ENERGY: 3147400 3991.1146 20497.1316 14550.3040 246.0440 -203693.0926 2560.8696 0.0000 0.0000 52217.7633 -109629.8655 300.0962 -161847.6288 -109266.9479 299.0752 -95.3233 -73.7460 759634.7886 -1.3152 -1.5561 PRESSURE: 3147600 -111.992 -273.233 -129.386 -273.233 92.7779 27.0999 -129.386 27.0997 -198.524 GPRESSURE: 3147600 -78.9615 -153.121 -136.153 -273.104 201.853 111.797 -80.2549 16.4652 -253.245 PRESSAVG: 3147600 -8.32364 -72.8367 -30.3207 -72.8367 39.698 31.8562 -30.3206 31.8563 -26.4558 GPRESSAVG: 3147600 -8.57045 -70.3266 -31.3021 -73.523 39.0901 31.1946 -29.6466 30.6218 -25.6632 TIMING: 3147600 CPU: 10009, 0.00313028/step Wall: 10009, 0.00313028/step, 1.6107 hours remaining, 235.367188 MB of memory in use. ENERGY: 3147600 3919.8479 20663.2475 14523.2069 236.8580 -203117.2601 2359.5018 0.0000 0.0000 51754.7599 -109659.8382 297.4353 -161414.5981 -109305.9209 298.7998 -72.5795 -43.4512 758739.9024 1.6395 1.6188 PRESSURE: 3147800 -283.715 -104.759 -72.2772 -104.759 93.1643 -14.29 -72.277 -14.2898 60.4661 GPRESSURE: 3147800 -263.899 -191.963 -87.9521 -108.733 173.66 -42.4307 -133.246 -24.4801 35.1699 PRESSAVG: 3147800 -43.0298 -29.8506 -10.0604 -29.8505 -7.04216 -6.31935 -10.0603 -6.31937 7.11379 GPRESSAVG: 3147800 -41.7307 -31.0422 -9.70704 -28.4795 -5.81581 -6.11424 -11.1797 -8.4443 4.83558 TIMING: 3147800 CPU: 10009.7, 0.00312903/step Wall: 10009.7, 0.00312903/step, 1.60989 hours remaining, 235.367188 MB of memory in use. ENERGY: 3147800 4060.4948 20588.5922 14485.7155 252.5922 -203454.7546 2580.3407 0.0000 0.0000 51952.2623 -109534.7567 298.5704 -161487.0191 -109176.4795 298.5800 -43.3614 -18.3565 760240.1845 -14.3194 -14.2370 PRESSURE: 3148000 -71.3326 5.79144 93.0172 5.7922 -89.9892 -127.466 93.0168 -127.467 -351.534 GPRESSURE: 3148000 12.7274 28.393 98.4045 -141.266 -120.055 -174.589 29.7893 -108.322 -325.763 PRESSAVG: 3148000 43.5441 -33.3546 -51.04 -33.3546 -26.6272 10.0027 -51.04 10.0026 -15.0744 GPRESSAVG: 3148000 41.3059 -31.8857 -50.9433 -33.7549 -26.497 8.89388 -51.7629 13.1607 -13.5331 TIMING: 3148000 CPU: 10010.3, 0.00312396/step Wall: 10010.3, 0.00312396/step, 1.6071 hours remaining, 235.367188 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: 3148000 4098.0428 20682.8546 14480.2326 253.6015 -203526.7807 2628.9225 0.0000 0.0000 51926.8570 -109456.2696 298.4244 -161383.1265 -109099.6880 298.9002 -170.9518 -144.3638 759442.2627 0.6141 0.4253 PRESSURE: 3148200 0.908435 -130 -12.5312 -129.999 -457.342 -45.098 -12.531 -45.0975 -477.122 GPRESSURE: 3148200 -78.6601 -132.79 -2.58598 -53.9003 -296.576 -27.9196 -16.966 -30.8595 -463.067 PRESSAVG: 3148200 52.3603 -10.3714 -0.00888986 -10.3714 -82.0061 9.67834 -0.00886239 9.67836 13.7352 GPRESSAVG: 3148200 52.6027 -10.7187 0.00140498 -9.56309 -81.3778 9.20647 1.55813 11.0494 13.2163 TIMING: 3148200 CPU: 10010.9, 0.00311358/step Wall: 10010.9, 0.00311358/step, 1.60159 hours remaining, 235.367188 MB of memory in use. ENERGY: 3148200 4044.1078 20608.9369 14541.5993 259.0845 -203646.8462 2570.4184 0.0000 0.0000 52288.7876 -109333.9116 300.5044 -161622.6992 -108979.9266 299.7808 -311.1853 -279.4344 761209.6670 -5.3035 -5.1862 LDB: ============= START OF LOAD BALANCING ============== 10023.3 LDB: ============== END OF LOAD BALANCING =============== 10023.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10023.3 LDB: ============= START OF LOAD BALANCING ============== 10023.6 LDB: Largest compute 7031 load 0.029132 is 14.9% of average load 0.195605 LDB: Average compute 0.004389 is 2.2% of average load 0.195605 LDB: TIME 10023.6 LOAD: AVG 0.195605 MAX 0.213971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.355 MB LDB: TIME 10023.6 LOAD: AVG 0.195605 MAX 0.213971 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.559 MB LDB: TIME 10023.6 LOAD: AVG 0.195605 MAX 0.213971 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.559 MB LDB: ============== END OF LOAD BALANCING =============== 10023.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10023.7 PRESSURE: 3148400 123.491 -205.652 179.195 -205.651 132.169 -180.129 179.194 -180.13 -372.516 GPRESSURE: 3148400 193.12 -156.364 305.413 -149.889 133.724 -170.711 90.438 -309.263 -359.635 PRESSAVG: 3148400 56.9608 -49.7244 -11.5333 -49.7244 1.60279 18.8327 -11.5333 18.8327 13.8576 GPRESSAVG: 3148400 57.3441 -49.5909 -10.7952 -50.6097 1.32307 19.755 -14.4233 15.4822 13.5147 TIMING: 3148400 CPU: 10011.5, 0.00319884/step Wall: 10011.5, 0.00319884/step, 1.64527 hours remaining, 234.007812 MB of memory in use. ENERGY: 3148400 3878.4489 20612.2137 14458.1026 256.9615 -203350.3995 2361.4211 0.0000 0.0000 52133.3823 -109649.8695 299.6113 -161783.2518 -109289.2331 299.5436 -38.9522 -10.9305 760018.7969 24.1404 24.0607 PRESSURE: 3148600 -344.125 -93.5608 -121.793 -93.5602 -23.5185 108.695 -121.793 108.695 11.1486 GPRESSURE: 3148600 -295.047 -188.736 -73.3816 -159.551 -51.8358 168.1 -127.628 72.4902 86.163 PRESSAVG: 3148600 -42.6592 -80.6107 3.36438 -80.6106 25.2238 -15.4083 3.3644 -15.4083 -15.415 GPRESSAVG: 3148600 -41.7604 -79.4898 2.33971 -81.6252 24.2826 -15.0231 6.38734 -15.6384 -14.9959 TIMING: 3148600 CPU: 10012.2, 0.00311585/step Wall: 10012.2, 0.00311585/step, 1.60241 hours remaining, 234.468750 MB of memory in use. ENERGY: 3148600 4110.0540 20427.5391 14535.5080 254.1255 -203165.6315 2448.5332 0.0000 0.0000 51927.5264 -109462.3452 298.4282 -161389.8717 -109109.2370 298.7550 -118.8315 -86.9065 761716.8691 -10.9501 -10.8246 PRESSURE: 3148800 -256.156 265.475 -52.1772 265.475 -188.81 -59.0173 -52.1764 -59.0176 -421.615 GPRESSURE: 3148800 -163.903 118.526 -42.7446 210.275 -213.15 -109.24 2.01767 35.5006 -382.615 PRESSAVG: 3148800 -1.93971 -18.3724 -15.4378 -18.3724 12.4832 3.04983 -15.4378 3.04983 9.97119 GPRESSAVG: 3148800 -2.56922 -20.9712 -16.0575 -19.2358 13.0035 1.39612 -13.7316 3.94898 9.97112 TIMING: 3148800 CPU: 10012.8, 0.00313146/step Wall: 10012.8, 0.00313147/step, 1.61027 hours remaining, 234.468750 MB of memory in use. ENERGY: 3148800 4083.1936 20591.1981 14512.3371 233.8277 -203225.0581 2534.8037 0.0000 0.0000 51995.6315 -109274.0664 298.8196 -161269.6979 -108914.9237 299.7621 -288.8603 -253.2227 762644.2951 6.8382 6.8018 PRESSURE: 3149000 89.9457 -168.413 -64.9614 -168.412 149.762 -244.647 -64.9612 -244.647 -150.02 GPRESSURE: 3149000 130.927 -144.788 -68.5713 -207.841 115.356 -224.963 -23.9784 -263.665 -69.5382 PRESSAVG: 3149000 27.7339 -9.65411 -52.169 -9.65408 -53.0061 -2.40937 -52.1691 -2.40933 -6.02459 GPRESSAVG: 3149000 28.9854 -8.20308 -51.3696 -9.0247 -53.4208 -0.9845 -55.2566 -2.23456 -6.44514 TIMING: 3149000 CPU: 10013.4, 0.00311469/step Wall: 10013.4, 0.00311469/step, 1.60147 hours remaining, 234.468750 MB of memory in use. ENERGY: 3149000 4015.2473 20750.7246 14548.2976 242.1349 -203502.5234 2775.1586 0.0000 0.0000 51827.3504 -109343.6100 297.8525 -161170.9604 -108983.3437 299.8198 29.8961 58.9149 759287.5797 -10.4323 -10.2935 PRESSURE: 3149200 -52.4835 58.7119 254.68 58.711 -90.1245 18.1791 254.678 18.1791 -151.585 GPRESSURE: 3149200 -58.0929 69.8813 230.662 40.2988 -15.7018 43.3887 147.226 -13.7555 -133.554 PRESSAVG: 3149200 21.9288 -15.6717 -44.3816 -15.6716 -25.2396 -9.37878 -44.3817 -9.37873 14.7984 GPRESSAVG: 3149200 20.5621 -15.6924 -43.706 -16.9359 -24.5667 -8.86898 -44.1996 -9.65344 15.2346 TIMING: 3149200 CPU: 10014, 0.00312291/step Wall: 10014, 0.00312291/step, 1.60552 hours remaining, 234.468750 MB of memory in use. ENERGY: 3149200 3950.8266 20526.2250 14510.8733 240.7225 -203723.7818 2764.9726 0.0000 0.0000 52165.5189 -109564.6429 299.7960 -161730.1617 -109197.5894 299.4122 -98.0645 -69.1161 759718.2151 3.8292 3.7433 PRESSURE: 3149400 -37.1873 30.3239 1.7651 30.3232 -206.406 54.9915 1.76527 54.9908 201.501 GPRESSURE: 3149400 -12.3673 -21.5492 -8.38207 -28.502 -184.783 68.3201 -52.2674 50.7533 249.204 PRESSAVG: 3149400 67.1566 -17.3479 -17.0333 -17.3478 -35.0002 25.9237 -17.0333 25.9237 -2.31546 GPRESSAVG: 3149400 68.3077 -16.6014 -18.4973 -17.2744 -36.01 25.0979 -16.4407 25.4277 -2.33618 TIMING: 3149400 CPU: 10014.7, 0.00313387/step Wall: 10014.7, 0.00313387/step, 1.61098 hours remaining, 234.468750 MB of memory in use. ENERGY: 3149400 3934.9289 20492.7952 14561.9895 232.5542 -203083.3813 2277.7298 0.0000 0.0000 51790.5795 -109792.8042 297.6412 -161583.3837 -109427.1218 298.6536 -14.0308 17.3511 761278.8030 9.9470 9.9872 PRESSURE: 3149600 -130.082 -40.1841 31.8414 -40.1843 18.4408 53.825 31.8416 53.8253 -254.937 GPRESSURE: 3149600 -83.4607 -75.8574 -4.19165 -97.1346 76.6333 120.784 67.8781 -66.6137 -245.997 PRESSAVG: 3149600 -17.7737 -48.9349 27.0034 -48.9349 -17.0335 1.37649 27.0034 1.37663 10.7458 GPRESSAVG: 3149600 -17.895 -49.9141 28.592 -48.1727 -16.5782 -0.354593 27.2846 2.11347 10.6765 TIMING: 3149600 CPU: 10015.3, 0.00313819/step Wall: 10015.3, 0.00313819/step, 1.61303 hours remaining, 234.468750 MB of memory in use. ENERGY: 3149600 3976.7745 20553.9207 14548.6552 275.0710 -203415.4723 2418.0384 0.0000 0.0000 52119.2878 -109523.7247 299.5303 -161643.0125 -109174.4938 299.0278 -122.1926 -84.2748 761741.0898 -8.0205 -7.9322 PRESSURE: 3149800 229.07 -166.101 -43.7885 -166.102 19.6598 -519.083 -43.787 -519.082 585.587 GPRESSURE: 3149800 316.76 -203.745 -83.0394 -154.184 6.17334 -481.19 -68.1511 -375.064 611.308 PRESSAVG: 3149800 -10.6459 -74.3314 -47.5867 -74.3314 17.174 -16.205 -47.5868 -16.205 -13.3469 GPRESSAVG: 3149800 -11.8451 -75.075 -47.5104 -72.771 17.9407 -14.4029 -46.8679 -14.9711 -13.2817 TIMING: 3149800 CPU: 10015.9, 0.00311609/step Wall: 10015.9, 0.00311609/step, 1.60149 hours remaining, 234.468750 MB of memory in use. ENERGY: 3149800 3865.7210 20535.0141 14501.0108 253.7501 -203432.5154 2621.0010 0.0000 0.0000 52062.6836 -109593.3347 299.2050 -161656.0184 -109227.6611 299.2455 278.1055 311.4137 759541.1490 -2.2729 -2.3954 PRESSURE: 3150000 91.9628 -39.399 -56.9241 -39.3985 -116.981 -68.0133 -56.9247 -68.0118 271.862 GPRESSURE: 3150000 64.0569 -26.5004 -36.79 -57.5928 -57.2798 -72.1811 -134.103 -125.066 323.306 PRESSAVG: 3150000 -41.6172 -7.09972 -2.70278 -7.0997 15.7541 -57.108 -2.70281 -57.1079 -5.6675 GPRESSAVG: 3150000 -41.3736 -7.18823 -3.75052 -6.77598 14.6966 -58.3865 -3.85496 -56.8235 -4.73197 TIMING: 3150000 CPU: 10016.5, 0.00312902/step Wall: 10016.5, 0.00312902/step, 1.60797 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3150000 4041.8075 20424.1364 14600.4970 250.0567 -203327.6739 2431.6078 0.0000 0.0000 51864.6917 -109714.8768 298.0671 -161579.5685 -109354.8432 299.0232 82.2811 110.0278 761210.7640 -10.5102 -10.4696 PRESSURE: 3150200 -93.6627 11.1066 15.1554 11.1071 111.064 89.6131 15.1556 89.6131 -148.366 GPRESSURE: 3150200 -78.2078 -249.696 -17.1865 81.4634 236.977 54.3227 -40.71 -15.074 -215.765 PRESSAVG: 3150200 -33.541 -36.3455 36.0461 -36.3454 2.29155 -49.2869 36.0461 -49.287 16.6229 GPRESSAVG: 3150200 -33.3274 -38.5786 36.0685 -36.5496 3.2911 -48.8735 35.7936 -49.848 15.7149 TIMING: 3150200 CPU: 10017.2, 0.00312234/step Wall: 10017.2, 0.00312234/step, 1.60436 hours remaining, 234.468750 MB of memory in use. ENERGY: 3150200 4001.2380 20607.0835 14502.8490 246.3063 -203755.3083 2838.3065 0.0000 0.0000 51875.9521 -109683.5730 298.1318 -161559.5251 -109324.7076 298.7178 -43.6548 -18.9988 760506.3339 -4.8755 -4.7738 PRESSURE: 3150400 -125.119 214.961 287.762 214.961 -174.138 71.0275 287.762 71.0278 195.888 GPRESSURE: 3150400 -212.186 156.231 366.947 209.766 -36.0627 -28.7453 371.151 66.8025 208.805 PRESSAVG: 3150400 -22.9971 -11.1157 -41.3911 -11.1158 -18.8551 -26.3253 -41.3911 -26.3255 12.1189 GPRESSAVG: 3150400 -23.6009 -7.95542 -40.1957 -12.5977 -19.272 -25.2409 -40.1958 -26.5048 12.9019 TIMING: 3150400 CPU: 10017.8, 0.00311051/step Wall: 10017.8, 0.00311051/step, 1.59811 hours remaining, 234.468750 MB of memory in use. ENERGY: 3150400 3980.1970 20572.7879 14468.4727 253.6800 -203537.8433 2434.7132 0.0000 0.0000 52326.7839 -109501.2084 300.7227 -161827.9923 -109145.0431 299.2999 -34.4563 -13.1481 761177.5149 -9.9111 -9.9903 PRESSURE: 3150600 173.588 -58.3756 -149.687 -58.3754 177.088 118.242 -149.687 118.242 -39.5979 GPRESSURE: 3150600 165.818 3.66022 -170.324 -60.1079 162.073 186.098 -237.228 95.9782 65.1401 PRESSAVG: 3150600 -34.358 -11.32 -24.0079 -11.3201 59.7657 26.3467 -24.0079 26.3469 15.6984 GPRESSAVG: 3150600 -35.3415 -11.3151 -25.5324 -10.0958 60.6887 24.4219 -24.7089 26.8163 15.5266 TIMING: 3150600 CPU: 10018.4, 0.00311973/step Wall: 10018.4, 0.00311973/step, 1.60268 hours remaining, 234.468750 MB of memory in use. ENERGY: 3150600 3983.2582 20488.8325 14564.0791 246.6547 -203385.7785 2573.5302 0.0000 0.0000 51957.4198 -109572.0040 298.6000 -161529.4238 -109203.5198 299.3059 103.6926 131.0105 760362.1238 13.7020 13.6246 PRESSURE: 3150800 -223.837 93.6605 164.896 93.6611 -240.155 20.8322 164.896 20.8324 -231.935 GPRESSURE: 3150800 -214.908 62.5557 194.665 72.4188 -150.579 80.2961 144.496 103.718 -228.984 PRESSAVG: 3150800 -23.0106 -25.3315 -8.85332 -25.3315 75.1262 -21.446 -8.85334 -21.4461 30.2284 GPRESSAVG: 3150800 -21.7593 -26.6808 -6.91486 -24.9034 74.5916 -19.1156 -7.37412 -22.0618 29.8477 TIMING: 3150800 CPU: 10019, 0.00312613/step Wall: 10019, 0.00312613/step, 1.60579 hours remaining, 234.468750 MB of memory in use. ENERGY: 3150800 3994.2537 20499.5112 14536.1431 257.6500 -203808.8529 2784.4142 0.0000 0.0000 52129.0708 -109607.8101 299.5865 -161736.8808 -109250.7158 299.0858 -231.9756 -198.1571 761407.7579 27.4480 27.5600 PRESSURE: 3151000 280.443 -91.1048 -135.847 -91.1044 82.113 -96.2356 -135.847 -96.2345 329.01 GPRESSURE: 3151000 306.307 36.439 -22.3335 -217.647 92.859 -50.2863 -214.775 33.1221 381.338 PRESSAVG: 3151000 12.9952 -53.464 -22.2927 -53.4641 -8.23521 55.8542 -22.2927 55.8542 4.31726 GPRESSAVG: 3151000 14.0184 -53.6892 -23.0634 -54.4543 -8.92072 54.8909 -25.5115 57.0506 4.52489 TIMING: 3151000 CPU: 10019.7, 0.00312625/step Wall: 10019.7, 0.00312625/step, 1.60568 hours remaining, 234.468750 MB of memory in use. ENERGY: 3151000 3980.1409 20539.5029 14598.2204 233.7028 -203738.7378 2699.9288 0.0000 0.0000 52199.7458 -109487.4962 299.9927 -161687.2420 -109122.9000 299.2277 230.5221 260.1678 761302.4453 3.0257 3.2075 PRESSURE: 3151200 115.082 -84.0993 -22.6492 -84.0989 71.2412 246.626 -22.6496 246.627 241.269 GPRESSURE: 3151200 110.633 -1.05799 19.2503 30.364 114.183 256.952 80.4599 45.6787 275.55 PRESSAVG: 3151200 0.375404 -35.4499 12.2901 -35.4499 -36.2827 -5.34378 12.2902 -5.34373 -10.7616 GPRESSAVG: 3151200 -0.417029 -34.1472 12.7267 -35.9502 -36.6108 -4.77967 13.2581 -6.03219 -10.6616 TIMING: 3151200 CPU: 10020.3, 0.00312576/step Wall: 10020.3, 0.00312576/step, 1.60525 hours remaining, 234.468750 MB of memory in use. ENERGY: 3151200 3972.5653 20525.1695 14489.8662 245.1832 -203671.5578 2768.3858 0.0000 0.0000 52065.1008 -109605.2871 299.2188 -161670.3878 -109238.3529 299.0884 142.5307 166.7886 761758.8055 -15.5563 -15.8965 PRESSURE: 3151400 -300.752 -100.181 -77.789 -100.182 -476.769 83.4116 -77.79 83.4112 123.28 GPRESSURE: 3151400 -276.924 -38.5942 -109.424 -124.285 -358.976 -14.7103 -19.6641 51.0654 72.7812 PRESSAVG: 3151400 -18.1378 -36.806 -57.1182 -36.8061 -2.9373 -2.07261 -57.1182 -2.07266 -29.2913 GPRESSAVG: 3151400 -17.9779 -36.0972 -57.1893 -36.7044 -2.78633 -2.28393 -54.2519 -0.7264 -29.4388 TIMING: 3151400 CPU: 10020.9, 0.0031095/step Wall: 10020.9, 0.0031095/step, 1.59673 hours remaining, 234.468750 MB of memory in use. ENERGY: 3151400 3917.6201 20331.0635 14490.8409 241.6427 -203299.0120 2463.5514 0.0000 0.0000 52136.3454 -109717.9480 299.6283 -161854.2934 -109344.7605 299.0468 -218.0805 -187.7062 763331.8330 -16.7888 -16.7344 PRESSURE: 3151600 394.747 139.614 216.29 139.615 253.184 13.495 216.29 13.4949 86.1087 GPRESSURE: 3151600 364.876 111.293 153.008 47.5023 305.809 33.201 96.7798 -114.699 144.392 PRESSAVG: 3151600 -10.011 -32.4103 34.7361 -32.4102 45.3729 7.81788 34.7361 7.81788 -25.2275 GPRESSAVG: 3151600 -9.44373 -31.2102 35.8886 -32.5137 44.6896 8.09815 32.3693 7.5657 -25.8249 TIMING: 3151600 CPU: 10021.5, 0.00311788/step Wall: 10021.5, 0.00311788/step, 1.60086 hours remaining, 234.468750 MB of memory in use. ENERGY: 3151600 4036.0122 20461.4038 14481.7976 269.0941 -203772.7805 2883.9398 0.0000 0.0000 52169.1784 -109471.3545 299.8170 -161640.5329 -109112.5351 299.1284 244.6799 271.6921 760073.8658 3.3781 3.1403 PRESSURE: 3151800 -91.5324 40.8306 147.56 40.8298 -229.747 -81.0137 147.56 -81.0133 -232.461 GPRESSURE: 3151800 -32.291 -4.44429 280.409 10.595 -180.008 8.03509 64.4735 -75.2059 -264.404 PRESSAVG: 3151800 65.8719 3.58335 2.91591 3.58339 18.1256 -35.7778 2.91588 -35.7777 -0.704576 GPRESSAVG: 3151800 65.2844 2.62329 2.38557 2.94528 18.6647 -36.2391 3.14389 -39.1945 -0.15279 TIMING: 3151800 CPU: 10022.2, 0.00312388/step Wall: 10022.2, 0.00312388/step, 1.60377 hours remaining, 234.468750 MB of memory in use. ENERGY: 3151800 4005.8875 20472.9113 14518.0809 267.0767 -203488.0514 2280.1566 0.0000 0.0000 52325.3873 -109618.5512 300.7147 -161943.9385 -109247.5839 299.5160 -184.5800 -158.9009 761591.0966 27.7643 27.9321 PRESSURE: 3152000 -166.305 55.8379 -153.344 55.8375 38.8041 -168.597 -153.345 -168.597 345.917 GPRESSURE: 3152000 -187.144 79.4456 -173.685 49.5215 100.417 -104.066 -81.6719 -15.5094 370.653 PRESSAVG: 3152000 -5.05766 -50.6174 19.2081 -50.6174 9.55395 -0.421538 19.2081 -0.421429 -9.26353 GPRESSAVG: 3152000 -5.0964 -50.5845 18.7977 -49.7898 10.1842 0.783097 21.1412 1.72982 -9.41289 TIMING: 3152000 CPU: 10022.8, 0.00312121/step Wall: 10022.8, 0.00312121/step, 1.60222 hours remaining, 234.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3152000 3974.8524 20368.6245 14488.0495 259.1295 -203936.0181 2945.9389 0.0000 0.0000 51977.8812 -109921.5422 298.7176 -161899.4233 -109554.4960 299.1259 72.8052 94.6420 759649.7143 -1.5891 -1.4417 PRESSURE: 3152200 -98.9671 -80.6948 -56.3503 -80.6951 42.8673 39.1709 -56.3508 39.1706 -330.853 GPRESSURE: 3152200 -76.9666 -43.0018 -15.0614 -28.31 100.167 150.368 -243.837 55.3577 -315.201 PRESSAVG: 3152200 21.5503 -46.0273 0.11997 -46.0274 -13.2226 21.4191 0.120033 21.4191 -12.0433 GPRESSAVG: 3152200 22.0069 -46.3825 -1.63225 -45.2132 -13.7781 20.9935 -1.39604 20.8002 -11.837 TIMING: 3152200 CPU: 10023.4, 0.00312957/step Wall: 10023.4, 0.00312957/step, 1.60634 hours remaining, 234.468750 MB of memory in use. ENERGY: 3152200 3989.8677 20675.7233 14500.2890 248.7184 -203816.3553 2537.8335 0.0000 0.0000 52044.9569 -109818.9664 299.1031 -161863.9234 -109459.4183 298.4702 -128.9842 -97.3336 760439.8057 -1.2385 -1.2027 LDB: ============= START OF LOAD BALANCING ============== 10035.8 LDB: ============== END OF LOAD BALANCING =============== 10035.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10035.8 LDB: ============= START OF LOAD BALANCING ============== 10036.1 LDB: Largest compute 7031 load 0.030266 is 15.5% of average load 0.195558 LDB: Average compute 0.004402 is 2.3% of average load 0.195558 LDB: TIME 10036.2 LOAD: AVG 0.195558 MAX 0.216156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 10036.2 LOAD: AVG 0.195558 MAX 0.216156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 10036.2 LOAD: AVG 0.195558 MAX 0.216156 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 10036.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10036.2 PRESSURE: 3152400 162.855 14.3538 -14.6494 14.3538 58.4118 -47.2001 -14.6491 -47.2008 -162.422 GPRESSURE: 3152400 166.906 -191.412 -116.061 -9.45732 117.95 -27.2933 112.385 -45.5937 -149.613 PRESSAVG: 3152400 -60.5444 -37.7853 -11.7294 -37.7853 44.9629 36.1027 -11.7294 36.1028 2.04332 GPRESSAVG: 3152400 -59.971 -38.978 -11.0293 -39.932 44.9754 34.7429 -12.1016 37.7058 1.33697 TIMING: 3152400 CPU: 10024.1, 0.00319106/step Wall: 10024.1, 0.00319106/step, 1.63772 hours remaining, 234.070312 MB of memory in use. ENERGY: 3152400 4027.1524 20510.7328 14506.6026 244.9363 -203627.0901 2824.5683 0.0000 0.0000 51912.6348 -109600.4629 298.3426 -161513.0977 -109246.0445 299.3111 19.6151 45.0811 761712.1682 -4.5127 -4.5529 PRESSURE: 3152600 113.62 -107.612 191.21 -107.611 23.7262 28.4247 191.211 28.4247 286.983 GPRESSURE: 3152600 48.6158 -49.7531 135.994 -135.595 108.692 -37.0093 239.8 171.039 343.438 PRESSAVG: 3152600 -37.9356 -14.377 60.7412 -14.377 31.9562 48.6982 60.7412 48.6981 -0.266322 GPRESSAVG: 3152600 -38.3469 -13.542 62.7651 -14.0808 31.5566 48.9433 60.5824 47.3396 -0.188968 TIMING: 3152600 CPU: 10024.7, 0.00312245/step Wall: 10024.7, 0.00312245/step, 1.60234 hours remaining, 234.597656 MB of memory in use. ENERGY: 3152600 3978.8339 20306.1651 14580.8857 254.8272 -203267.5882 2531.7310 0.0000 0.0000 52168.6472 -109446.4980 299.8139 -161615.1452 -109075.5301 299.2446 141.4430 166.9154 761334.9904 -2.0819 -2.3264 PRESSURE: 3152800 -47.0437 -301.546 -127.335 -301.545 98.9554 64.413 -127.334 64.4136 -166.893 GPRESSURE: 3152800 -85.6959 -234.054 -75.512 -161.625 209.378 26.9193 -135.994 -69.3812 -166.187 PRESSAVG: 3152800 25.0209 3.29273 21.0628 3.29277 -6.23207 -5.01133 21.0629 -5.0113 -20.9062 GPRESSAVG: 3152800 24.8548 3.43501 19.9513 3.96477 -6.41402 -4.9629 21.9227 -4.0644 -21.201 TIMING: 3152800 CPU: 10025.3, 0.00313716/step Wall: 10025.3, 0.00313716/step, 1.60971 hours remaining, 234.597656 MB of memory in use. ENERGY: 3152800 4019.3294 20503.4320 14615.4990 255.5911 -203344.1200 2434.0855 0.0000 0.0000 51990.1032 -109526.0797 298.7878 -161516.1830 -109173.4025 299.2118 -38.3270 -14.1683 760387.8693 -0.7058 -0.9201 PRESSURE: 3153000 -15.0154 -74.5928 -60.3383 -74.5921 -465.807 -94.8099 -60.3378 -94.8102 -303.519 GPRESSURE: 3153000 -103.482 -62.7287 -75.5315 -96.2082 -326.929 -41.1512 -152.959 -82.4233 -282.682 PRESSAVG: 3153000 -17.5056 -0.980066 -36.1332 -0.979968 -11.3062 -9.17952 -36.1333 -9.1796 21.1251 GPRESSAVG: 3153000 -17.9458 -1.16094 -34.7601 0.339292 -10.4058 -8.59565 -38.2735 -8.89479 20.5588 TIMING: 3153000 CPU: 10025.9, 0.00312553/step Wall: 10025.9, 0.00312553/step, 1.60357 hours remaining, 234.597656 MB of memory in use. ENERGY: 3153000 4004.3162 20536.3276 14528.1703 249.3573 -203450.6641 2576.5123 0.0000 0.0000 51773.3077 -109782.6728 297.5419 -161555.9805 -109422.7508 299.1200 -261.4472 -237.6976 762480.6187 -2.5622 -2.5976 PRESSURE: 3153200 -64.3601 -4.44158 90.4384 -4.4417 -405.218 91.1959 90.4384 91.1949 204.925 GPRESSURE: 3153200 20.7124 -30.0182 -35.268 73.7747 -346.716 113.93 136 69.9021 153.683 PRESSAVG: 3153200 5.87255 5.61558 13.0087 5.61556 -19.2187 18.4897 13.0086 18.4896 -5.31353 GPRESSAVG: 3153200 6.62728 5.54607 11.6472 6.30611 -19.8776 19.3733 15.2249 17.9092 -4.84354 TIMING: 3153200 CPU: 10026.6, 0.00311125/step Wall: 10026.6, 0.00311125/step, 1.59607 hours remaining, 234.597656 MB of memory in use. ENERGY: 3153200 3991.1177 20656.5245 14552.3568 231.8451 -203690.3643 2896.9531 0.0000 0.0000 51569.0205 -109792.5466 296.3679 -161361.5671 -109437.9788 298.4324 -88.2175 -57.4402 761719.8174 -6.2199 -6.0313 PRESSURE: 3153400 9.45238 -177.961 194.366 -177.961 189.521 150.282 194.366 150.282 254.799 GPRESSURE: 3153400 -0.741457 -122.061 192.576 -225.659 253.566 198.877 207.946 135.755 299.58 PRESSAVG: 3153400 -36.813 17.5205 -8.56811 17.5205 23.2872 -21.4226 -8.56814 -21.4225 16.8601 GPRESSAVG: 3153400 -37.9805 18.4132 -8.79618 14.0935 25.1361 -22.6828 -7.9156 -21.9339 16.8608 TIMING: 3153400 CPU: 10027.2, 0.003104/step Wall: 10027.2, 0.003104/step, 1.59218 hours remaining, 234.597656 MB of memory in use. ENERGY: 3153400 4048.0171 20296.9724 14590.5034 241.9543 -204083.0657 3019.8937 0.0000 0.0000 52061.1254 -109824.5994 299.1960 -161885.7248 -109463.7677 298.3072 151.2575 184.1346 760055.1590 1.1114 1.3388 PRESSURE: 3153600 -35.3969 7.60674 167.892 7.60667 -148.339 220.476 167.891 220.476 -167.505 GPRESSURE: 3153600 -14.1975 11.5432 85.6442 -64.8089 -38.938 187.215 94.5372 241.52 -198.786 PRESSAVG: 3153600 -47.7093 13.7736 53.8368 13.7736 22.6939 48.9225 53.8368 48.9225 2.43901 GPRESSAVG: 3153600 -46.4189 12.4193 52.7617 13.8674 22.3208 48.5624 53.5849 50.2053 1.54015 TIMING: 3153600 CPU: 10027.8, 0.0031237/step Wall: 10027.8, 0.0031237/step, 1.60211 hours remaining, 234.597656 MB of memory in use. ENERGY: 3153600 3933.9554 20433.4275 14551.3951 233.2765 -203757.9068 2571.8069 0.0000 0.0000 52369.8672 -109664.1782 300.9703 -162034.0454 -109294.3849 298.7223 -117.0802 -83.9739 759400.2427 -7.5255 -7.5193 PRESSURE: 3153800 598.288 224.186 16.8374 224.185 -27.3533 270.613 16.8373 270.612 -216.222 GPRESSURE: 3153800 488.846 106.026 47.7005 196.716 148.085 297.373 -137.976 199.691 -203.339 PRESSAVG: 3153800 5.07832 -11.5276 20.843 -11.5275 -12.061 7.92274 20.843 7.92274 14.3568 GPRESSAVG: 3153800 5.01029 -11.4761 23.297 -9.88612 -13.3836 8.26175 20.2631 7.5868 15.5136 TIMING: 3153800 CPU: 10028.4, 0.00313195/step Wall: 10028.4, 0.00313195/step, 1.60617 hours remaining, 234.597656 MB of memory in use. ENERGY: 3153800 3934.0507 20397.6535 14539.3760 240.5365 -203477.2267 2521.9354 0.0000 0.0000 51960.4673 -109883.2073 298.6175 -161843.6745 -109522.9478 298.4361 118.2377 144.5307 761996.4100 2.4580 2.3801 PRESSURE: 3154000 7.63117 -140.305 -110.893 -140.305 -206.367 -146.322 -110.893 -146.322 -20.5984 GPRESSURE: 3154000 26.5915 -113.282 -70.0339 -147.777 -177.682 -137.398 -69.4675 -213.395 1.70084 PRESSAVG: 3154000 -42.8945 -47.3541 -6.90485 -47.3541 26.9807 19.3085 -6.90488 19.3084 -21.0409 GPRESSAVG: 3154000 -43.3859 -44.5902 -7.58489 -47.7041 27.7854 19.7746 -6.50792 19.1453 -21.3537 TIMING: 3154000 CPU: 10029, 0.00311774/step Wall: 10029, 0.00311774/step, 1.59871 hours remaining, 234.597656 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: 3154000 3968.7762 20612.0935 14499.3972 258.4043 -203321.6539 2354.0984 0.0000 0.0000 51584.7577 -110044.1266 296.4583 -161628.8843 -109682.6816 297.9489 -73.1113 -49.7967 761591.8381 -12.3182 -12.3181 PRESSURE: 3154200 -64.9416 -55.5506 98.6225 -55.5499 86.1404 -21.3258 98.6231 -21.3261 76.7453 GPRESSURE: 3154200 -42.3455 -87.3035 10.0647 -116.755 112.447 48.6868 -53.9583 -202.775 105.526 PRESSAVG: 3154200 -3.43667 -8.86066 -31.7766 -8.86068 22.9023 -2.9135 -31.7766 -2.91343 8.79819 GPRESSAVG: 3154200 -2.14128 -11.7815 -34.0566 -8.61812 21.8688 -3.98238 -31.9669 -2.36879 8.70342 TIMING: 3154200 CPU: 10029.7, 0.00311802/step Wall: 10029.7, 0.00311802/step, 1.59868 hours remaining, 234.597656 MB of memory in use. ENERGY: 3154200 4061.7376 20429.9833 14496.8533 243.8419 -203360.5569 2627.5395 0.0000 0.0000 51845.5911 -109655.0103 297.9573 -161500.6014 -109299.6780 297.8529 32.6480 58.5425 761032.5984 9.4213 9.4770 PRESSURE: 3154400 -36.3527 41.2516 -118.527 41.251 -124.781 -205.91 -118.527 -205.909 -5.95708 GPRESSURE: 3154400 -11.0704 10.0404 -36.1309 -32.1223 -54.866 -144.964 -55.9184 -62.7632 -1.2568 PRESSAVG: 3154400 31.2083 -33.9853 -7.14206 -33.9854 -23.4831 -15.6477 -7.14201 -15.6477 -35.4788 GPRESSAVG: 3154400 31.1055 -32.693 -4.94652 -34.0385 -23.4081 -15.2582 -6.70576 -13.6897 -35.6088 TIMING: 3154400 CPU: 10030.3, 0.00313959/step Wall: 10030.3, 0.00313959/step, 1.60956 hours remaining, 234.597656 MB of memory in use. ENERGY: 3154400 4030.8473 20530.5252 14498.0902 230.2340 -203291.5189 2596.6153 0.0000 0.0000 51909.7942 -109495.4127 298.3263 -161405.2069 -109144.9844 298.7887 -55.6968 -22.3978 762566.0317 -9.2512 -9.3038 PRESSURE: 3154600 374.931 -73.7079 39.0476 -73.7084 83.3556 231.948 39.0473 231.948 273.009 GPRESSURE: 3154600 307.079 -81.1068 64.6969 -123.313 152.888 207.815 -65.5102 164.947 367.406 PRESSAVG: 3154600 7.39161 -11.8759 39.9846 -11.8759 5.03097 7.8423 39.9846 7.84235 26.1878 GPRESSAVG: 3154600 6.15905 -12.2797 40.0015 -11.539 6.34316 6.9229 38.8595 5.59235 25.7047 TIMING: 3154600 CPU: 10030.9, 0.00315356/step Wall: 10030.9, 0.00315355/step, 1.61655 hours remaining, 234.597656 MB of memory in use. ENERGY: 3154600 3936.2569 20327.4340 14535.3002 247.5654 -203990.3582 3031.0681 0.0000 0.0000 52437.2117 -109475.5218 301.3574 -161912.7336 -109115.3824 298.9312 243.7652 275.7911 762281.7132 12.8701 12.7356 PRESSURE: 3154800 -14.4815 -103.028 -116.513 -103.027 -365.57 13.1207 -116.512 13.121 97.6133 GPRESSURE: 3154800 67.2341 -104.121 -174.541 -136.087 -373.991 -234.031 -42.6012 151.543 89.8482 PRESSAVG: 3154800 -21.0768 -50.4237 -9.27659 -50.4237 -11.1127 19.6782 -9.27662 19.6782 -29.816 GPRESSAVG: 3154800 -19.9897 -49.0982 -9.18679 -52.7157 -12.581 21.1607 -10.2518 20.3102 -28.7748 TIMING: 3154800 CPU: 10031.6, 0.00314453/step Wall: 10031.6, 0.00314453/step, 1.61175 hours remaining, 234.597656 MB of memory in use. ENERGY: 3154800 3925.6673 20531.0509 14580.2908 246.0233 -203243.8837 2478.7220 0.0000 0.0000 51956.5924 -109525.5370 298.5953 -161482.1294 -109164.3221 299.2833 -94.1461 -72.3030 762792.5667 -20.6685 -20.4485 PRESSURE: 3155000 108.114 91.341 91.4837 91.3406 -320.378 -294.036 91.4835 -294.038 -215.807 GPRESSURE: 3155000 99.0249 100.858 72.8862 105.755 -277.379 -251.524 -7.21597 -264.218 -169.192 PRESSAVG: 3155000 46.6586 2.58718 29.1058 2.58708 -38.0246 -29.4685 29.1059 -29.4685 32.6629 GPRESSAVG: 3155000 46.6388 -0.121722 28.4902 3.96427 -37.8942 -29.3523 30.1067 -30.1401 32.5572 TIMING: 3155000 CPU: 10032.2, 0.00315146/step Wall: 10032.2, 0.00315146/step, 1.61512 hours remaining, 234.597656 MB of memory in use. ENERGY: 3155000 3928.6680 20599.5263 14591.9128 254.9176 -203009.5487 2288.1279 0.0000 0.0000 51849.5628 -109496.8331 297.9802 -161346.3959 -109140.9782 298.9406 -142.6902 -115.8488 764024.1718 13.7657 13.7673 PRESSURE: 3155200 33.4891 -104.211 30.145 -104.211 161.234 -17.3616 30.1444 -17.362 450.232 GPRESSURE: 3155200 70.4326 -15.7354 80.4407 -86.3833 212.263 4.54703 -44.7577 13.5082 443.389 PRESSAVG: 3155200 22.9339 -42.323 -11.8777 -42.323 -9.10777 -16.8801 -11.8777 -16.88 -21.5291 GPRESSAVG: 3155200 23.2621 -39.8597 -12.7884 -40.2945 -9.18368 -16.5782 -11.8869 -16.5547 -22.2635 TIMING: 3155200 CPU: 10032.8, 0.0031437/step Wall: 10032.8, 0.0031437/step, 1.61097 hours remaining, 234.597656 MB of memory in use. ENERGY: 3155200 3882.5299 20479.1100 14479.4356 239.9747 -203137.6873 2573.6335 0.0000 0.0000 52043.8531 -109439.1506 299.0967 -161483.0037 -109075.8773 299.0546 214.9851 242.0281 761960.0550 -2.5677 -2.7284 PRESSURE: 3155400 417.852 -20.8755 -65.966 -20.8765 426.599 204.495 -65.9668 204.496 57.785 GPRESSURE: 3155400 449.903 29.759 -43.2728 -68.6202 446.032 262.85 -75.9619 207.654 98.6193 PRESSAVG: 3155400 -10.5046 -14.1073 -74.3299 -14.1073 14.0861 -12.2129 -74.3298 -12.2128 -21.1519 GPRESSAVG: 3155400 -9.9001 -14.2095 -75.4406 -15.4307 13.382 -12.5505 -75.2893 -10.3148 -20.6046 TIMING: 3155400 CPU: 10033.4, 0.00315194/step Wall: 10033.4, 0.00315194/step, 1.61502 hours remaining, 234.597656 MB of memory in use. ENERGY: 3155400 3868.4374 20458.6148 14561.4263 250.9119 -203415.8310 2688.8071 0.0000 0.0000 52282.9467 -109304.6869 300.4708 -161587.6335 -108952.9107 299.7416 300.7454 331.5180 762262.0038 -5.8568 -5.7075 PRESSURE: 3155600 82.547 -126.584 -145.006 -126.583 171.369 148.173 -145.006 148.173 764.063 GPRESSURE: 3155600 146.311 -53.3646 -176.112 -72.0816 289.087 190.225 -39.1823 -57.3764 684.068 PRESSAVG: 3155600 3.05611 -64.2067 -35.1422 -64.2067 -33.0324 -6.36437 -35.1422 -6.36444 7.54885 GPRESSAVG: 3155600 2.03718 -65.4673 -33.6211 -64.9998 -31.8204 -5.94741 -35.9402 -6.38689 7.01962 TIMING: 3155600 CPU: 10034.1, 0.00313149/step Wall: 10034.1, 0.00313149/step, 1.60437 hours remaining, 234.597656 MB of memory in use. ENERGY: 3155600 3949.3404 20604.2673 14531.6972 234.0075 -203451.8000 2831.0232 0.0000 0.0000 52117.9043 -109183.5603 299.5223 -161301.4645 -108811.2063 299.6089 339.3262 373.1551 761516.1054 -7.4758 -7.5879 PRESSURE: 3155800 -226.59 253.678 33.4559 253.679 120.697 -202.689 33.4565 -202.688 -241.102 GPRESSURE: 3155800 -137.389 248.526 124.675 258.284 175.382 -325.063 55.2375 -119.345 -267.494 PRESSAVG: 3155800 -6.06654 26.9959 54.8411 26.9959 6.46063 36.2167 54.8411 36.2167 -3.56769 GPRESSAVG: 3155800 -6.73411 29.1901 57.5454 26.3758 6.61575 32.7414 55.474 35.7444 -3.08648 TIMING: 3155800 CPU: 10034.7, 0.00313957/step Wall: 10034.7, 0.00313957/step, 1.60833 hours remaining, 234.597656 MB of memory in use. ENERGY: 3155800 4040.8607 20410.3939 14554.8376 260.1449 -203202.5179 2388.3059 0.0000 0.0000 52252.7440 -109295.2310 300.2972 -161547.9750 -108927.4780 299.4460 -115.6649 -76.5004 761894.4408 -1.0579 -1.0683 PRESSURE: 3156000 -94.3609 -190.151 337.767 -190.151 -253.132 -70.495 337.767 -70.4942 -41.903 GPRESSURE: 3156000 -71.8956 -161.829 292.681 -169.299 -153.131 87.3332 157.73 -119.736 -57.9141 PRESSAVG: 3156000 1.48363 -1.65549 15.5325 -1.65542 71.4608 10.6592 15.5325 10.6592 0.944246 GPRESSAVG: 3156000 0.465808 -3.09847 14.1727 -0.628025 72.2128 14.3789 15.6973 8.80629 1.14657 TIMING: 3156000 CPU: 10035.3, 0.00313417/step Wall: 10035.3, 0.00313417/step, 1.60539 hours remaining, 234.597656 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: 3156000 3951.9844 20573.0019 14557.6433 232.3292 -202729.1366 2245.6386 0.0000 0.0000 52056.3172 -109112.2219 299.1684 -161168.5391 -108743.9608 299.6276 -129.7986 -94.3136 762775.8791 24.6296 24.6084 PRESSURE: 3156200 -38.6127 -1.69345 -51.6735 -1.69296 -220.866 242.979 -51.6731 242.979 180.195 GPRESSURE: 3156200 23.7065 34.1922 -108.917 79.5973 -230.03 223.217 15.1694 289.766 201.069 PRESSAVG: 3156200 -32.5293 43.5379 48.7359 43.5379 22.7115 7.6318 48.7359 7.63186 -12.6579 GPRESSAVG: 3156200 -31.7802 44.8201 48.4212 42.0691 21.849 5.51417 48.1036 7.76689 -12.4134 TIMING: 3156200 CPU: 10036, 0.0031401/step Wall: 10036, 0.0031401/step, 1.60825 hours remaining, 234.597656 MB of memory in use. ENERGY: 3156200 3979.7018 20686.9826 14560.3067 233.2427 -202934.5602 2453.3362 0.0000 0.0000 51942.4626 -109078.5276 298.5140 -161020.9902 -108729.0106 299.6301 -26.4278 -1.7515 762656.7815 -7.4919 -7.4482 LDB: ============= START OF LOAD BALANCING ============== 10048.4 LDB: ============== END OF LOAD BALANCING =============== 10048.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10048.4 LDB: ============= START OF LOAD BALANCING ============== 10048.7 LDB: Largest compute 7031 load 0.030306 is 15.5% of average load 0.195592 LDB: Average compute 0.004387 is 2.2% of average load 0.195592 LDB: TIME 10048.7 LOAD: AVG 0.195592 MAX 0.214468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.328 MB LDB: TIME 10048.7 LOAD: AVG 0.195592 MAX 0.214468 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 10048.7 LOAD: AVG 0.195592 MAX 0.214468 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 10048.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10048.7 PRESSURE: 3156400 169.809 77.8491 55.8278 77.8485 -65.1161 -110.942 55.8285 -110.941 50.6834 GPRESSURE: 3156400 188.31 103.234 69.7442 19.87 -10.3979 -123.197 10.7208 -27.4953 64.5557 PRESSAVG: 3156400 4.04813 -12.7585 20.9611 -12.7585 69.0288 -63.1628 20.9612 -63.1629 21.2714 GPRESSAVG: 3156400 4.7829 -13.826 21.1932 -10.9093 67.8912 -65.1419 20.6919 -62.3738 21.4634 TIMING: 3156400 CPU: 10036.6, 0.00320857/step Wall: 10036.6, 0.00320857/step, 1.64314 hours remaining, 233.617188 MB of memory in use. ENERGY: 3156400 3996.2417 20490.4562 14635.0144 236.9345 -203264.6894 2490.7413 0.0000 0.0000 52065.6905 -109349.6106 299.2222 -161415.3012 -108985.5160 299.4152 51.7920 80.8226 762430.1953 31.4494 31.3792 PRESSURE: 3156600 -60.403 57.5574 -11.9044 57.5579 288.172 -213.018 -11.9054 -213.018 122.505 GPRESSURE: 3156600 -59.3554 50.8276 -39.7944 269.094 354.806 -261.587 -85.6546 -167.311 145.535 PRESSAVG: 3156600 -36.9883 4.89434 -30.0683 4.89432 -2.57112 23.7037 -30.0684 23.7037 -7.55936 GPRESSAVG: 3156600 -38.527 3.97916 -30.5887 6.44959 -0.799116 26.9448 -29.2611 24.7804 -7.49908 TIMING: 3156600 CPU: 10037.2, 0.00315305/step Wall: 10037.2, 0.00315305/step, 1.61454 hours remaining, 233.820312 MB of memory in use. ENERGY: 3156600 3929.4726 20537.2640 14597.2691 247.7321 -203272.9029 2583.8195 0.0000 0.0000 52025.3448 -109352.0008 298.9904 -161377.3455 -108984.7144 299.3378 116.7580 146.9952 762672.6152 -15.7062 -15.6084 PRESSURE: 3156800 -178.572 -152.59 -26.4331 -152.59 296.531 -26.9656 -26.433 -26.9657 -143.723 GPRESSURE: 3156800 -111.239 -28.3256 -36.8625 -125.951 200.981 3.27177 -59.6318 -106.468 -24.2677 PRESSAVG: 3156800 -39.4327 -53.5429 49.9899 -53.5429 30.2557 4.43496 49.9899 4.43489 1.23887 GPRESSAVG: 3156800 -36.8771 -51.1416 51.4224 -54.8758 28.4697 4.59551 51.0239 3.58488 0.577031 TIMING: 3156800 CPU: 10037.9, 0.00314403/step Wall: 10037.9, 0.00314403/step, 1.60974 hours remaining, 233.820312 MB of memory in use. ENERGY: 3156800 4113.3380 20437.0768 14543.6247 242.7598 -203696.6006 2872.4701 0.0000 0.0000 51886.4206 -109600.9106 298.1920 -161487.3312 -109233.1269 299.1880 -8.5876 21.8247 760628.6356 -2.6460 -2.6101 PRESSURE: 3157000 -168.691 119.308 30.9985 119.308 -55.9927 -70.7129 30.9978 -70.7135 272.131 GPRESSURE: 3157000 -101.408 -29.203 86.9333 93.5175 -32.6126 -16.119 51.2856 -7.5582 269.029 PRESSAVG: 3157000 -62.594 69.0637 31.6079 69.0637 58.2199 6.03943 31.6079 6.0394 8.43117 GPRESSAVG: 3157000 -64.0858 67.8398 29.119 69.0996 59.5649 5.87043 32.3495 6.39795 8.41688 TIMING: 3157000 CPU: 10038.5, 0.00313482/step Wall: 10038.5, 0.00313482/step, 1.60485 hours remaining, 233.820312 MB of memory in use. ENERGY: 3157000 3997.7378 20511.7521 14498.8596 219.8922 -203204.3392 2418.0686 0.0000 0.0000 52025.3264 -109532.7026 298.9903 -161558.0290 -109162.0453 298.7882 15.8158 45.0026 761934.3249 1.3524 1.2986 PRESSURE: 3157200 32.5124 58.2681 -66.6019 58.2677 -121.887 -166.949 -66.6018 -166.948 22.465 GPRESSURE: 3157200 2.06311 -14.5133 -53.0442 34.3369 -49.9265 -44.9346 -51.7948 -236.516 74.9403 PRESSAVG: 3157200 -2.72844 -40.1839 18.0028 -40.1839 13.6117 -8.03336 18.0028 -8.03339 15.895 GPRESSAVG: 3157200 -1.58813 -41.6574 20.2196 -40.5256 12.2392 -9.82099 15.4595 -8.58066 15.7911 TIMING: 3157200 CPU: 10039.1, 0.00316655/step Wall: 10039.1, 0.00316655/step, 1.62092 hours remaining, 233.820312 MB of memory in use. ENERGY: 3157200 4070.9563 20554.4484 14497.0497 240.2611 -203534.6518 2611.2764 0.0000 0.0000 52320.7324 -109239.9275 300.6880 -161560.6599 -108883.0782 299.5965 -22.3032 9.0257 762322.8312 8.9261 8.8141 PRESSURE: 3157400 -148.674 -64.4706 -13.5815 -64.4704 194.077 -135.119 -13.581 -135.118 -228.404 GPRESSURE: 3157400 -185.655 -2.95725 5.24116 -107.837 248.034 -135.141 48.8552 -40.2663 -143.239 PRESSAVG: 3157400 -21.078 -42.4155 -0.707858 -42.4155 26.6322 6.46098 -0.707861 6.46102 26.1334 GPRESSAVG: 3157400 -22.1419 -43.0434 -1.27059 -43.4619 27.5076 7.14246 0.3323 6.75922 26.2078 TIMING: 3157400 CPU: 10039.8, 0.00316187/step Wall: 10039.8, 0.00316187/step, 1.61835 hours remaining, 233.820312 MB of memory in use. ENERGY: 3157400 4081.2772 20403.3176 14633.2393 243.8446 -202948.9757 2273.9215 0.0000 0.0000 52125.8062 -109187.5693 299.5677 -161313.3754 -108822.9241 299.6873 -61.0005 -26.9533 760826.0619 10.5625 10.5245 PRESSURE: 3157600 327.271 52.6943 -187.056 52.6946 93.9893 50.3088 -187.055 50.3088 162.952 GPRESSURE: 3157600 382.172 39.4827 -241.294 185.717 62.5179 18.7931 -124.752 57.7977 219.059 PRESSAVG: 3157600 4.00437 -17.2416 -41.3076 -17.2416 57.763 -29.5787 -41.3076 -29.5787 19.4994 GPRESSAVG: 3157600 3.79189 -17.0901 -41.8128 -15.8094 58.6936 -29.3536 -39.4465 -27.7714 19.0454 TIMING: 3157600 CPU: 10040.4, 0.00313088/step Wall: 10040.4, 0.00313088/step, 1.60231 hours remaining, 233.820312 MB of memory in use. ENERGY: 3157600 3972.6345 20588.7193 14596.3169 254.2453 -203263.8335 2519.3934 0.0000 0.0000 51992.1916 -109340.3325 298.7998 -161332.5241 -108978.5271 299.2149 194.7375 221.2495 760913.2241 27.0889 27.1769 PRESSURE: 3157800 -243.744 203.189 -136.543 203.189 -1.11282 207.24 -136.542 207.24 220.89 GPRESSURE: 3157800 -180.195 268.351 -177.741 73.9463 44.9754 236.624 -4.97294 71.0149 192.772 PRESSAVG: 3157800 -0.339084 32.9084 1.33172 32.9084 11.0585 -19.2706 1.33165 -19.2706 -14.3249 GPRESSAVG: 3157800 -0.25108 33.4971 1.15241 31.28 10.6025 -18.6548 2.04206 -19.9273 -13.6387 TIMING: 3157800 CPU: 10041, 0.00313359/step Wall: 10041, 0.00313359/step, 1.60353 hours remaining, 233.820312 MB of memory in use. ENERGY: 3157800 3971.0027 20520.3920 14594.7673 234.5500 -203250.8159 2582.3925 0.0000 0.0000 52054.7088 -109293.0025 299.1591 -161347.7114 -108936.6910 299.3623 -7.9890 19.1843 760705.7150 -1.2018 -1.0957 PRESSURE: 3158000 62.2091 237.376 -170.659 237.376 109.679 250.505 -170.659 250.504 248.622 GPRESSURE: 3158000 91.1166 245.26 -235.382 136.546 152.39 316.76 -126.66 207.32 261.851 PRESSAVG: 3158000 5.0776 -2.8536 -22.2994 -2.85361 -5.22186 63.2511 -22.2993 63.251 20.353 GPRESSAVG: 3158000 5.21311 -2.00669 -22.4027 0.505126 -5.62575 63.7208 -25.0463 63.0982 20.6138 TIMING: 3158000 CPU: 10041.6, 0.00315807/step Wall: 10041.6, 0.00315807/step, 1.61588 hours remaining, 233.820312 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: 3158000 4007.0835 20555.3514 14569.1321 248.2824 -203167.6600 2583.1911 0.0000 0.0000 52107.5124 -109097.1072 299.4626 -161204.6196 -108749.0818 299.4075 140.1701 168.4526 760483.5944 6.7363 6.7337 PRESSURE: 3158200 -61.7334 -84.3349 21.8154 -84.3348 -52.0191 -33.1521 21.8153 -33.1528 -86.0403 GPRESSURE: 3158200 -131.54 -192.711 66.1336 -53.9153 4.18274 -91.5861 -57.509 -87.1369 15.2421 PRESSAVG: 3158200 -12.5108 2.22271 -27.8352 2.22264 26.3938 33.6598 -27.8352 33.6598 -8.51958 GPRESSAVG: 3158200 -12.6634 -0.26735 -28.0794 0.944887 26.8899 33.0604 -27.178 33.2313 -8.63464 TIMING: 3158200 CPU: 10042.3, 0.00316262/step Wall: 10042.3, 0.00316262/step, 1.61803 hours remaining, 233.820312 MB of memory in use. ENERGY: 3158200 3970.0924 20529.0250 14678.3558 238.7385 -203317.4389 2710.9201 0.0000 0.0000 52325.7346 -108864.5724 300.7167 -161190.3070 -108497.1839 300.0099 -66.5976 -37.3716 762665.6932 1.7878 1.8640 PRESSURE: 3158400 -48.7103 78.8394 -19.7234 78.8395 85.7257 -70.646 -19.7219 -70.6463 -279.52 GPRESSURE: 3158400 36.5935 21.6294 1.80273 94.7296 80.3346 -17.3721 57.2152 -148.582 -264.991 PRESSAVG: 3158400 -40.75 -12.416 -52.6123 -12.416 50.7233 2.14043 -52.6123 2.14042 3.86278 GPRESSAVG: 3158400 -40.6791 -10.2035 -51.5444 -13.4342 51.5586 2.05163 -53.7518 1.88399 3.31149 TIMING: 3158400 CPU: 10042.9, 0.00313298/step Wall: 10042.9, 0.00313298/step, 1.60269 hours remaining, 233.820312 MB of memory in use. ENERGY: 3158400 4029.2325 20354.9925 14526.6431 255.9012 -202770.5444 2623.0049 0.0000 0.0000 52244.9129 -108735.8574 300.2522 -160980.7703 -108362.6721 299.8828 -80.8348 -49.3543 764530.4316 4.6120 4.7303 PRESSURE: 3158600 -311.875 -93.1829 92.46 -93.1834 -64.9873 -196.912 92.4592 -196.913 98.6863 GPRESSURE: 3158600 -219.566 -8.32425 142.688 -139.709 -40.9384 -123.59 239.86 -151.774 53.6815 PRESSAVG: 3158600 -30.0692 -27.9891 21.4103 -27.9891 -20.78 -21.0826 21.4103 -21.0826 -9.43353 GPRESSAVG: 3158600 -28.0961 -28.909 22.6012 -26.0222 -21.7483 -21.619 23.1629 -20.0566 -10.0033 TIMING: 3158600 CPU: 10043.5, 0.00313511/step Wall: 10043.5, 0.00313511/step, 1.60361 hours remaining, 233.820312 MB of memory in use. ENERGY: 3158600 4005.7812 20648.8791 14524.2332 236.8649 -203041.0795 2542.0696 0.0000 0.0000 52249.8591 -108833.3923 300.2807 -161083.2515 -108469.2186 300.3728 -92.7255 -68.9408 763973.1751 -20.0942 -19.9492 PRESSURE: 3158800 -44.4823 22.282 -37.806 22.282 -160.864 75.4362 -37.8071 75.4371 -172.598 GPRESSURE: 3158800 32.5254 35.4799 -26.8693 3.2567 -144.741 169.083 -154.302 -19.8834 -189.172 PRESSAVG: 3158800 -13.5297 -21.7504 -23.641 -21.7504 -29.6161 -42.0831 -23.641 -42.083 -10.4296 GPRESSAVG: 3158800 -14.9714 -20.8931 -25.07 -23.4773 -29.91 -41.5272 -24.615 -40.584 -9.07207 TIMING: 3158800 CPU: 10044.2, 0.0031522/step Wall: 10044.2, 0.0031522/step, 1.61217 hours remaining, 233.820312 MB of memory in use. ENERGY: 3158800 4043.4331 20478.7531 14524.9750 239.2814 -203134.0785 2447.5269 0.0000 0.0000 52566.2562 -108833.8527 302.0990 -161400.1089 -108459.8125 300.3965 -125.9816 -100.4624 761932.1549 -17.8585 -17.9845 PRESSURE: 3159000 -468.565 84.6797 -145.752 84.6804 50.4999 157.265 -145.751 157.265 -140.088 GPRESSURE: 3159000 -418.853 73.7156 -105.787 57.1183 32.8985 197.845 -201.318 135.012 -85.6803 PRESSAVG: 3159000 -29.4815 12.4919 -60.7745 12.4919 7.08549 -22.5997 -60.7746 -22.5997 20.0171 GPRESSAVG: 3159000 -29.7536 11.2385 -59.6703 12.7942 6.97237 -22.2777 -61.769 -25.8647 19.9459 TIMING: 3159000 CPU: 10044.8, 0.00312855/step Wall: 10044.8, 0.00312855/step, 1.59991 hours remaining, 233.820312 MB of memory in use. ENERGY: 3159000 4066.3342 20480.6612 14598.8412 254.2967 -203277.1372 2622.6055 0.0000 0.0000 52282.9119 -108971.4866 300.4706 -161254.3985 -108594.8645 300.2758 -186.0512 -157.2117 762258.3903 -0.7930 -0.9451 PRESSURE: 3159200 -444.893 -100.724 -194.523 -100.724 200.932 -116.078 -194.523 -116.078 -40.8342 GPRESSURE: 3159200 -389.543 -125.712 -164.639 -84.7334 254.866 -93.7742 -271.051 -144.643 -59.3774 PRESSAVG: 3159200 -38.386 -3.04029 27.1597 -3.04027 -3.173 -9.82562 27.1597 -9.82554 -22.7954 GPRESSAVG: 3159200 -36.4696 -3.30524 26.7951 -2.81286 -3.72912 -10.1863 27.9049 -9.68323 -23.9058 TIMING: 3159200 CPU: 10045.4, 0.00313533/step Wall: 10045.4, 0.00313533/step, 1.6032 hours remaining, 233.820312 MB of memory in use. ENERGY: 3159200 4015.7292 20571.6476 14617.1234 226.9124 -202631.5182 2260.8421 0.0000 0.0000 52264.0962 -108675.1673 300.3625 -160939.2635 -108318.9433 300.4807 -94.9318 -64.6846 761895.3380 -21.4515 -21.3682 PRESSURE: 3159400 -173.012 -140.32 -200.463 -140.32 -72.5553 44.7387 -200.463 44.7389 86.0453 GPRESSURE: 3159400 -90.1291 114.037 -144.137 -84.5468 -79.8671 22.6966 -245.538 -61.0579 95.4721 PRESSAVG: 3159400 -89.8352 -18.4765 39.3199 -18.4765 95.3042 13.5223 39.3198 13.5223 3.81154 GPRESSAVG: 3159400 -89.9306 -18.0247 38.1219 -17.2299 95.2088 13.2484 39.8117 14.9031 3.94588 TIMING: 3159400 CPU: 10046, 0.00315668/step Wall: 10046, 0.00315668/step, 1.61394 hours remaining, 233.820312 MB of memory in use. ENERGY: 3159400 4039.1729 20559.8295 14593.6855 237.9949 -203202.1858 2727.6111 0.0000 0.0000 52175.1655 -108868.7264 299.8514 -161043.8919 -108511.9743 300.1697 -53.1741 -24.8414 762955.3943 3.0935 3.0747 PRESSURE: 3159600 59.0207 -99.6371 -62.804 -99.6369 235.622 12.113 -62.8035 12.1128 194.118 GPRESSURE: 3159600 180.034 77.1856 -120.719 -162.719 209.654 -55.0864 61.5666 65.3278 168.697 PRESSAVG: 3159600 -56.3129 -63.4695 34.5683 -63.4694 53.1598 27.0911 34.5683 27.0912 -12.7343 GPRESSAVG: 3159600 -56.9339 -62.8831 35.7078 -65.0199 53.9912 27.3958 33.2159 25.5463 -12.7288 TIMING: 3159600 CPU: 10046.7, 0.00314966/step Wall: 10046.7, 0.00314966/step, 1.61018 hours remaining, 233.820312 MB of memory in use. ENERGY: 3159600 4054.9385 20630.7811 14605.3380 251.5103 -203217.6049 2582.6531 0.0000 0.0000 52290.8826 -108801.5011 300.5164 -161092.3838 -108432.0185 300.2621 162.9201 186.1283 761125.8787 -5.2958 -5.2238 PRESSURE: 3159800 -96.1661 270.82 -101.729 270.819 -154.694 -42.3896 -101.73 -42.3884 -188.149 GPRESSURE: 3159800 -76.3387 276.661 -139.6 326.726 -134.584 -87.0007 -81.9112 -46.1509 -131.629 PRESSAVG: 3159800 -65.2796 -75.8969 14.664 -75.8969 84.0378 10.9996 14.6641 10.9996 -2.25238 GPRESSAVG: 3159800 -64.7656 -75.1931 14.4999 -75.4044 83.0503 10.9245 15.6391 11.7716 -2.00096 TIMING: 3159800 CPU: 10047.3, 0.00315278/step Wall: 10047.3, 0.00315278/step, 1.61159 hours remaining, 233.820312 MB of memory in use. ENERGY: 3159800 4029.1228 20437.3247 14550.1802 258.3205 -202854.0674 2381.8366 0.0000 0.0000 52290.8312 -108906.4514 300.5161 -161197.2827 -108546.6196 300.3423 -146.3363 -114.1839 762277.0537 5.5019 5.4279 PRESSURE: 3160000 -279.742 231.326 -151.255 231.326 -123.407 -28.4401 -151.255 -28.4405 -19.3709 GPRESSURE: 3160000 -239.211 207.302 -63.7805 309.617 -55.2718 -39.2087 -155.324 -98.6209 -43.7066 PRESSAVG: 3160000 13.0327 29.4824 -34.0332 29.4823 21.5459 -38.117 -34.0331 -38.117 -13.0913 GPRESSAVG: 3160000 12.4309 28.8432 -34.0011 29.8116 22.1976 -40.4464 -31.9964 -36.8885 -13.1791 TIMING: 3160000 CPU: 10047.9, 0.0031356/step Wall: 10047.9, 0.0031356/step, 1.60264 hours remaining, 233.820312 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: 3160000 3958.2638 20467.6449 14576.7446 264.4596 -202801.9216 2286.2601 0.0000 0.0000 52134.0383 -109114.5104 299.6150 -161248.5487 -108745.0271 299.9816 -140.8398 -112.7298 761926.9698 7.1624 7.1498 PRESSURE: 3160200 151.414 -43.6954 -66.4659 -43.696 -162.62 -7.91658 -66.4663 -7.91683 -258.254 GPRESSURE: 3160200 167.578 39.684 -54.242 17.5046 -39.9315 43.8206 -70.3958 -93.0143 -315.448 PRESSAVG: 3160200 8.31798 -15.6129 17.9789 -15.6129 3.95243 3.21707 17.9789 3.21694 22.1564 GPRESSAVG: 3160200 8.25781 -16.2804 17.882 -17.1334 3.58882 6.05539 16.2571 0.959032 22.1503 TIMING: 3160200 CPU: 10048.6, 0.00313968/step Wall: 10048.6, 0.00313968/step, 1.60455 hours remaining, 233.820312 MB of memory in use. ENERGY: 3160200 3988.4184 20312.7930 14537.6177 239.3435 -203178.9112 2729.5189 0.0000 0.0000 52203.4243 -109167.7954 300.0138 -161371.2197 -108804.3533 299.5342 -89.8201 -62.6005 763830.7460 11.4756 11.3323 LDB: ============= START OF LOAD BALANCING ============== 10061 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10061 LDB: =============== DONE WITH MIGRATION ================ 10061 LDB: ============= START OF LOAD BALANCING ============== 10061.3 LDB: Largest compute 7064 load 0.030845 is 15.8% of average load 0.195603 LDB: Average compute 0.004382 is 2.2% of average load 0.195603 LDB: TIME 10061.3 LOAD: AVG 0.195603 MAX 0.212988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 10061.3 LOAD: AVG 0.195603 MAX 0.212988 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: TIME 10061.3 LOAD: AVG 0.195603 MAX 0.212988 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: ============== END OF LOAD BALANCING =============== 10061.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10061.3 PRESSURE: 3160400 -72.7883 44.5187 169.686 44.5188 -141.058 -165.46 169.686 -165.46 18.6162 GPRESSURE: 3160400 -55.2855 150.396 221.746 42.5401 -70.3234 -131.176 226.632 -160.858 6.82037 PRESSAVG: 3160400 -11.3968 -9.96415 59.0808 -9.9642 8.44958 12.3835 59.0808 12.3835 -13.6242 GPRESSAVG: 3160400 -12.261 -8.35134 60.0653 -7.65456 9.78669 11.8497 59.4188 13.2555 -13.9901 TIMING: 3160400 CPU: 10049.2, 0.00322863/step Wall: 10049.2, 0.00322863/step, 1.64983 hours remaining, 235.617188 MB of memory in use. ENERGY: 3160400 3967.4967 20478.6073 14582.5771 220.2523 -202740.9150 2279.9908 0.0000 0.0000 52133.7122 -109078.2786 299.6132 -161211.9908 -108717.8652 299.6154 -65.0768 -39.5962 762048.2869 -5.5238 -5.4881 PRESSURE: 3160600 -143.895 -102.196 -209.396 -102.196 225.654 308.302 -209.396 308.302 357.225 GPRESSURE: 3160600 -1.582 -139.459 -120.376 -93.0922 153.97 314.129 -34.2442 308.167 384.605 PRESSAVG: 3160600 -6.6403 -13.3267 13.0942 -13.3268 -30.5028 -6.71246 13.0942 -6.71242 8.60296 GPRESSAVG: 3160600 -5.05231 -14.1213 13.1786 -14.8404 -32.3653 -7.69312 12.1769 -8.31387 9.11296 TIMING: 3160600 CPU: 10049.8, 0.00315192/step Wall: 10049.8, 0.00315192/step, 1.61046 hours remaining, 235.816406 MB of memory in use. ENERGY: 3160600 3892.2782 20435.0502 14538.8249 247.1576 -203162.6200 2874.1078 0.0000 0.0000 52291.1096 -108884.0918 300.5177 -161175.2013 -108521.3189 299.7585 146.3279 178.9977 763063.0298 -9.5134 -9.4349 PRESSURE: 3160800 -298.135 -13.2109 199.707 -13.2114 -61.2834 -91.8211 199.707 -91.8208 36.1225 GPRESSURE: 3160800 -279.729 -35.2953 73.6992 -49.8514 -85.2038 -166.312 143.682 -156.042 118.192 PRESSAVG: 3160800 -0.960037 20.0212 -67.9456 20.0211 27.5176 -24.3368 -67.9455 -24.3368 -4.62223 GPRESSAVG: 3160800 -1.55888 19.7781 -69.2716 19.9022 28.5823 -22.7353 -66.9171 -23.4597 -4.57237 TIMING: 3160800 CPU: 10050.5, 0.00314949/step Wall: 10050.5, 0.00314949/step, 1.60904 hours remaining, 235.816406 MB of memory in use. ENERGY: 3160800 3989.2500 20655.9987 14573.0436 255.4953 -202849.5472 2353.1767 0.0000 0.0000 52183.6230 -108838.9599 299.9000 -161022.5829 -108481.7556 299.8748 -107.7654 -82.2471 762359.6189 7.3118 7.4837 PRESSURE: 3161000 95.9536 -169.786 121.336 -169.787 -152.345 9.62217 121.336 9.62158 337.772 GPRESSURE: 3161000 73.0539 8.90368 91.4389 -52.0702 2.76865 -75.5307 87.3326 66.8144 293.834 PRESSAVG: 3161000 -21.4845 23.3398 2.63449 23.3398 37.6885 -32.7024 2.63444 -32.7024 4.41964 GPRESSAVG: 3161000 -20.6056 22.9664 4.01791 21.3484 38.1716 -33.2755 1.22044 -32.455 3.56592 TIMING: 3161000 CPU: 10051.1, 0.00315234/step Wall: 10051.1, 0.00315234/step, 1.61032 hours remaining, 235.816406 MB of memory in use. ENERGY: 3161000 4012.8308 20423.3062 14570.8614 250.4188 -202982.7183 2469.6033 0.0000 0.0000 52444.0484 -108811.6494 301.3967 -161255.6977 -108447.7832 300.3767 93.7934 123.2187 761811.4420 6.8746 7.0440 PRESSURE: 3161200 -218.084 -117.456 87.9045 -117.456 116.654 100.858 87.9037 100.857 -338.694 GPRESSURE: 3161200 -209.938 -42.133 50.8271 -170.265 156.313 99.4213 -26.8477 129.367 -304.544 PRESSAVG: 3161200 23.1303 -9.48405 21.3616 -9.48398 0.341894 -16.6538 21.3616 -16.6538 2.17668 GPRESSAVG: 3161200 22.6622 -10.4418 21.0051 -5.07014 -1.1445 -18.7617 22.0137 -14.9293 3.83333 TIMING: 3161200 CPU: 10051.7, 0.00315826/step Wall: 10051.7, 0.00315826/step, 1.61317 hours remaining, 235.816406 MB of memory in use. ENERGY: 3161200 4049.3126 20430.3798 14627.3531 271.9861 -203045.1183 2466.1787 0.0000 0.0000 52441.8748 -108758.0332 301.3842 -161199.9080 -108391.2718 300.6506 -146.7081 -119.3899 761867.0243 8.5496 8.4503 PRESSURE: 3161400 154.088 82.1749 -38.0241 82.1749 13.6742 14.0129 -38.0246 14.0138 311.798 GPRESSURE: 3161400 125.19 132.859 -106.922 -8.05619 90.5496 22.7022 -2.52586 42.8739 353.003 PRESSAVG: 3161400 38.9924 -14.3407 1.38162 -14.3407 -30.1907 -0.626677 1.3816 -0.626679 -19.3429 GPRESSAVG: 3161400 38.9225 -12.542 1.88839 -16.6404 -29.3768 1.18445 2.02355 0.04393 -20.3555 TIMING: 3161400 CPU: 10052.4, 0.00315143/step Wall: 10052.4, 0.00315143/step, 1.6095 hours remaining, 235.816406 MB of memory in use. ENERGY: 3161400 4000.6534 20597.4945 14661.1899 228.4656 -203179.9036 2711.0862 0.0000 0.0000 52252.0433 -108728.9707 300.2932 -160981.0140 -108364.8978 300.7275 159.8535 189.5810 760739.1668 -3.5137 -3.6032 PRESSURE: 3161600 -107.53 75.1659 6.47852 75.1655 -18.6528 79.2274 6.47851 79.227 64.2668 GPRESSURE: 3161600 -43.2525 142.895 32.049 -86.4828 -4.86711 14.8966 -9.08799 21.047 57.2517 PRESSAVG: 3161600 3.97377 -20.1302 7.54875 -20.1303 -34.1666 -14.369 7.54877 -14.369 19.1845 GPRESSAVG: 3161600 4.71246 -19.2935 7.52951 -20.5653 -34.9715 -13.7961 8.90427 -14.8434 19.0349 TIMING: 3161600 CPU: 10053, 0.00315115/step Wall: 10053, 0.00315115/step, 1.60919 hours remaining, 235.816406 MB of memory in use. ENERGY: 3161600 4038.6439 20567.9779 14654.5194 248.4591 -203155.3971 2657.2874 0.0000 0.0000 52085.7388 -108902.7708 299.3375 -160988.5096 -108545.0586 300.1217 -20.6388 3.0440 760606.0538 -3.6694 -3.7414 PRESSURE: 3161800 -131.473 6.06825 28.8464 6.06804 85.8756 95.5108 28.8456 95.5105 405.388 GPRESSURE: 3161800 -76.5975 26.9634 -14.9411 111.183 137.593 93.9865 -8.43788 73.8015 366.316 PRESSAVG: 3161800 40.3521 47.8207 -11.2716 47.8208 -35.2757 12.8916 -11.2716 12.8916 28.4353 GPRESSAVG: 3161800 39.2298 46.3039 -12.2377 49.2214 -33.2035 12.8073 -11.6268 12.8509 27.2186 TIMING: 3161800 CPU: 10053.6, 0.0031443/step Wall: 10053.6, 0.0031443/step, 1.60551 hours remaining, 235.816406 MB of memory in use. ENERGY: 3161800 3993.5666 20580.7637 14604.0830 243.4395 -202892.5034 2368.0762 0.0000 0.0000 51977.1171 -109125.4572 298.7132 -161102.5743 -108762.9998 300.1590 119.9303 142.4373 761810.6611 11.1706 11.0816 PRESSURE: 3162000 -158.945 107.805 173.221 107.805 238.193 156.602 173.22 156.602 128.145 GPRESSURE: 3162000 -114.793 90.3423 212.317 -36.9626 277.383 194.644 136.023 10.3416 123.474 PRESSAVG: 3162000 17.3315 2.75131 -6.86441 2.75132 16.4513 -13.5039 -6.8644 -13.504 -3.40223 GPRESSAVG: 3162000 16.6838 3.57657 -5.91389 1.89933 15.9138 -14.6469 -8.95424 -14.7121 -2.58377 TIMING: 3162000 CPU: 10054.2, 0.00315472/step Wall: 10054.2, 0.00315472/step, 1.61066 hours remaining, 235.816406 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: 3162000 4029.8354 20460.3898 14610.7608 243.4487 -203474.1776 2719.9789 0.0000 0.0000 51978.7558 -109431.0082 298.7226 -161409.7640 -109076.6557 299.3777 69.1312 95.3548 761399.9404 10.1268 10.0046 PRESSURE: 3162200 -118.603 -186.736 -109.557 -186.736 -183.788 -322.683 -109.556 -322.684 -127.346 GPRESSURE: 3162200 -40.2251 -99.6114 -133.334 -100.374 -162.309 -223.605 -155.835 -223.216 -155.327 PRESSAVG: 3162200 -1.2622 -3.55263 23.8856 -3.55266 26.8457 19.976 23.8856 19.976 0.248818 GPRESSAVG: 3162200 0.503898 -3.77748 23.992 -2.87435 26.1002 21.0531 25.1442 21.3252 -0.966773 TIMING: 3162200 CPU: 10054.9, 0.00314361/step Wall: 10054.9, 0.00314361/step, 1.60481 hours remaining, 235.816406 MB of memory in use. ENERGY: 3162200 3939.1732 20383.0056 14649.5926 257.4208 -203201.6349 2569.0761 0.0000 0.0000 51963.7363 -109439.6303 298.6363 -161403.3666 -109075.8397 298.8758 -143.2455 -119.2871 763080.9186 8.6108 8.5458 PRESSURE: 3162400 -22.3636 -13.1187 139.513 -13.1189 95.748 84.046 139.514 84.046 -204.684 GPRESSURE: 3162400 -51.0798 51.0644 213.733 -25.3207 124.044 46.6573 138.128 148.016 -101.402 PRESSAVG: 3162400 1.03605 -25.1634 33.0306 -25.1634 10.6929 -8.02971 33.0306 -8.02975 14.4836 GPRESSAVG: 3162400 -1.47198 -26.3892 33.265 -24.3251 10.1952 -8.85299 33.1729 -9.33037 17.4789 TIMING: 3162400 CPU: 10055.5, 0.00314286/step Wall: 10055.5, 0.00314286/step, 1.60426 hours remaining, 235.816406 MB of memory in use. ENERGY: 3162400 4038.0921 20243.7429 14611.8420 255.9611 -203277.3090 2636.6577 0.0000 0.0000 51989.7105 -109501.3028 298.7856 -161491.0133 -109143.5219 298.6219 -43.7666 -9.4791 762307.0321 8.7375 8.7340 PRESSURE: 3162600 54.8388 107.694 28.7576 107.694 -121.061 115.668 28.7574 115.668 136.104 GPRESSURE: 3162600 70.1643 35.2467 -41.9358 171.292 -78.5243 280.374 17.8752 141.238 172.768 PRESSAVG: 3162600 14.8404 -42.6816 -17.2395 -42.6816 -58.4432 -0.908615 -17.2395 -0.908586 9.41504 GPRESSAVG: 3162600 15.5935 -41.035 -15.9389 -42.8493 -57.3263 -1.16301 -16.4388 -0.0795325 7.60589 TIMING: 3162600 CPU: 10056.1, 0.00314748/step Wall: 10056.1, 0.00314748/step, 1.60644 hours remaining, 235.816406 MB of memory in use. ENERGY: 3162600 3987.2460 20449.0784 14590.2345 225.1141 -203771.8047 2870.9714 0.0000 0.0000 52096.8016 -109552.3587 299.4010 -161649.1603 -109191.1623 298.9899 23.2939 54.8026 762928.7374 -11.3959 -11.3756 PRESSURE: 3162800 -130.397 36.0804 31.5149 36.0808 -260.034 -24.55 31.5145 -24.5493 -187.444 GPRESSURE: 3162800 -108.131 80.7719 15.2804 85.1585 -178.904 -44.7529 52.5274 -70.8089 -200.771 PRESSAVG: 3162800 44.1259 -50.0853 44.1558 -50.0853 -43.0257 -61.5585 44.1559 -61.5584 -0.214209 GPRESSAVG: 3162800 46.4517 -51.9283 41.724 -51.954 -44.86 -61.5483 41.6841 -61.4679 -0.952616 TIMING: 3162800 CPU: 10056.8, 0.0031519/step Wall: 10056.8, 0.0031519/step, 1.60852 hours remaining, 235.816406 MB of memory in use. ENERGY: 3162800 3951.5236 20311.3228 14510.1286 239.9155 -203087.6120 2336.2979 0.0000 0.0000 52182.9189 -109555.5047 299.8960 -161738.4235 -109186.2148 298.4342 -192.6250 -162.6019 762595.4655 0.2953 0.2131 PRESSURE: 3163000 -519.708 -59.8922 20.521 -59.8913 -138.235 -154.463 20.5204 -154.463 -252.223 GPRESSURE: 3163000 -449.017 66.1765 51.0217 -48.758 -119.616 -303.312 63.1233 18.6374 -257.369 PRESSAVG: 3163000 45.5336 17.4689 10.5566 17.4689 -2.95848 -41.8523 10.5566 -41.8523 -2.13367 GPRESSAVG: 3163000 42.8867 18.1241 12.2844 17.4032 -0.739276 -42.4109 14.0467 -40.4094 -1.62487 TIMING: 3163000 CPU: 10057.4, 0.00315379/step Wall: 10057.4, 0.0031538/step, 1.60931 hours remaining, 235.816406 MB of memory in use. ENERGY: 3163000 3920.3850 20402.0396 14540.4663 266.4708 -203300.9196 2802.1850 0.0000 0.0000 51963.3875 -109405.9854 298.6343 -161369.3729 -109046.8458 299.0271 -303.3886 -275.3339 763229.7048 13.4805 13.5075 PRESSURE: 3163200 32.337 -268.776 -134.588 -268.775 -299.21 -159.482 -134.588 -159.48 -13.5543 GPRESSURE: 3163200 -20.8902 -271.122 -195.868 -285.594 -252.006 -209.569 -103.06 -190.938 79.3051 PRESSAVG: 3163200 -50.6828 -1.60894 22.2624 -1.60898 6.41621 11.3677 22.2624 11.3678 -5.91009 GPRESSAVG: 3163200 -50.2848 -1.10286 22.2852 -0.536429 4.90782 12.3313 20.0608 9.69596 -4.77658 TIMING: 3163200 CPU: 10058, 0.00315592/step Wall: 10058, 0.00315592/step, 1.61022 hours remaining, 235.816406 MB of memory in use. ENERGY: 3163200 4008.6961 20334.0236 14532.9784 243.8982 -203505.7648 2775.4695 0.0000 0.0000 52281.1673 -109329.5317 300.4606 -161610.6989 -108957.2006 298.9512 -93.4759 -64.5304 762680.8174 -16.7256 -16.7178 PRESSURE: 3163400 76.8956 161.071 -55.2244 161.071 261.985 210.992 -55.2239 210.992 53.4764 GPRESSURE: 3163400 200.532 161.513 -73.935 11.5721 265.896 237.112 8.08972 253.235 23.4069 PRESSAVG: 3163400 -33.0322 37.6854 -18.3876 37.6855 27.8448 31.7816 -18.3876 31.7816 15.5361 GPRESSAVG: 3163400 -33.0871 36.3636 -19.8526 38.1179 28.4077 31.5984 -17.6056 31.5167 15.0756 TIMING: 3163400 CPU: 10058.6, 0.00312793/step Wall: 10058.6, 0.00312793/step, 1.59577 hours remaining, 235.816406 MB of memory in use. ENERGY: 3163400 3978.9653 20494.8383 14640.5227 259.4058 -203123.8523 2759.5854 0.0000 0.0000 51846.1220 -109144.4129 297.9604 -160990.5349 -108781.4165 299.3694 130.7857 163.2785 761729.6803 3.4496 3.4654 PRESSURE: 3163600 27.8898 91.5646 -162.072 91.5646 -108.087 244.937 -162.073 244.935 -133.336 GPRESSURE: 3163600 27.5268 0.798245 -143.547 35.7381 -18.3013 215.391 -60.5639 305.45 -140.204 PRESSAVG: 3163600 10.1559 17.6888 -3.21027 17.6888 12.4913 -43.9265 -3.2103 -43.9265 0.426916 GPRESSAVG: 3163600 10.6948 16.8787 -2.90547 17.1284 12.0421 -43.6695 -3.23248 -44.5094 0.463821 TIMING: 3163600 CPU: 10059.3, 0.00313912/step Wall: 10059.3, 0.00313912/step, 1.6013 hours remaining, 235.816406 MB of memory in use. ENERGY: 3163600 3960.7006 20451.7014 14609.8206 238.6639 -202954.8691 2390.9707 0.0000 0.0000 52136.2265 -109166.7854 299.6276 -161303.0119 -108818.8598 299.4457 -71.1779 -43.6596 762471.3216 7.6914 7.7335 PRESSURE: 3163800 -258.951 -64.9471 63.2491 -64.9477 52.446 10.869 63.2498 10.8693 -157.535 GPRESSURE: 3163800 -225.345 -49.4075 -5.37742 -53.6521 99.2101 105.257 94.6797 66.9543 -133.03 PRESSAVG: 3163800 -26.3922 -13.2056 33.5643 -13.2056 -5.26499 -12.8526 33.5643 -12.8526 -13.3615 GPRESSAVG: 3163800 -25.997 -11.0697 34.0358 -13.8482 -4.32734 -12.9815 32.9955 -12.403 -14.8828 TIMING: 3163800 CPU: 10059.9, 0.00314366/step Wall: 10059.9, 0.00314366/step, 1.60344 hours remaining, 235.816406 MB of memory in use. ENERGY: 3163800 3897.1699 20448.6687 14566.1905 261.1329 -202924.6368 2395.3921 0.0000 0.0000 52197.0770 -109159.0058 299.9773 -161356.0827 -108794.2155 299.7334 -121.3465 -86.3886 763738.1270 -15.0062 -15.0690 PRESSURE: 3164000 -59.1337 77.9369 -129.512 77.9371 443.02 16.5144 -129.512 16.5143 -228.029 GPRESSURE: 3164000 16.5436 18.8992 -143.241 66.8927 413.111 -53.361 -141.897 7.23978 -204.001 PRESSAVG: 3164000 -1.55941 -61.8914 62.5686 -61.8914 37.9684 -63.0323 62.5686 -63.0323 18.3562 GPRESSAVG: 3164000 -1.77943 -62.7028 62.6978 -60.5445 36.7281 -61.6687 61.3948 -62.5819 19.3584 TIMING: 3164000 CPU: 10060.5, 0.00314714/step Wall: 10060.5, 0.00314714/step, 1.60504 hours remaining, 235.816406 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: 3164000 3939.2536 20491.7053 14600.2637 240.8518 -203348.5011 2837.1068 0.0000 0.0000 51936.5460 -109302.7738 298.4800 -161239.3198 -108944.5117 299.5078 51.9523 75.2179 763224.1278 18.2551 18.1023 PRESSURE: 3164200 -84.0114 223.868 39.1647 223.867 -120.905 50.8586 39.1646 50.8577 -110.857 GPRESSURE: 3164200 -23.1378 197.918 -58.7467 110.86 -38.0299 106.432 -37.7745 107.925 -171.907 PRESSAVG: 3164200 -22.042 13.3163 -1.48481 13.3163 57.5855 8.22469 -1.48479 8.22468 -12.448 GPRESSAVG: 3164200 -22.7611 14.8181 -2.04069 12.5113 58.214 5.78606 0.567315 8.06861 -12.7672 TIMING: 3164200 CPU: 10061.2, 0.00315232/step Wall: 10061.2, 0.00315232/step, 1.60751 hours remaining, 235.816406 MB of memory in use. ENERGY: 3164200 3981.2982 20457.7137 14487.2488 237.5155 -203380.5335 2833.7316 0.0000 0.0000 52121.1668 -109261.8588 299.5411 -161383.0256 -108901.7001 299.3404 -105.2577 -77.6915 762606.3744 7.6985 7.5619 LDB: ============= START OF LOAD BALANCING ============== 10073.6 LDB: ============== END OF LOAD BALANCING =============== 10073.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10073.6 LDB: ============= START OF LOAD BALANCING ============== 10073.9 LDB: Largest compute 7063 load 0.029963 is 15.3% of average load 0.195587 LDB: Average compute 0.004407 is 2.3% of average load 0.195587 LDB: TIME 10073.9 LOAD: AVG 0.195587 MAX 0.215719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.629 MB LDB: TIME 10073.9 LOAD: AVG 0.195587 MAX 0.215719 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.629 MB LDB: TIME 10073.9 LOAD: AVG 0.195587 MAX 0.215719 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.629 MB LDB: ============== END OF LOAD BALANCING =============== 10073.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10073.9 PRESSURE: 3164400 325.986 -178.92 -113.761 -178.92 173.446 231.363 -113.761 231.362 -151.288 GPRESSURE: 3164400 341.291 -50.9986 -93.2153 -256.403 266.11 135.157 -35.2109 245.217 -185.071 PRESSAVG: 3164400 -19.514 -6.47259 -27.4316 -6.47252 -15.1297 -30.4583 -27.4317 -30.4582 -2.77002 GPRESSAVG: 3164400 -18.8632 -6.8298 -27.5153 -6.74473 -15.1191 -31.0238 -28.7861 -29.587 -3.4504 TIMING: 3164400 CPU: 10061.8, 0.00322586/step Wall: 10061.8, 0.00322586/step, 1.64483 hours remaining, 232.792969 MB of memory in use. ENERGY: 3164400 3951.1870 20418.3216 14650.0923 263.4334 -203606.9403 3004.1019 0.0000 0.0000 52181.9480 -109137.8561 299.8904 -161319.8041 -108785.2601 299.3387 116.0482 140.7764 762142.8583 -12.4712 -12.4775 PRESSURE: 3164600 -76.567 -163.995 60.3834 -163.996 348.388 37.7451 60.3832 37.7456 104.055 GPRESSURE: 3164600 -93.5561 -67.4109 7.45388 -113.217 364.779 81.828 104.204 -62.6895 189.59 PRESSAVG: 3164600 -0.176648 14.432 42.935 14.432 0.398317 -17.5034 42.9349 -17.5035 -32.7209 GPRESSAVG: 3164600 -0.27234 14.0316 42.7414 14.641 0.09644 -15.3304 43.1297 -18.0966 -32.2476 TIMING: 3164600 CPU: 10062.4, 0.00317376/step Wall: 10062.4, 0.00317376/step, 1.61809 hours remaining, 232.863281 MB of memory in use. ENERGY: 3164600 4035.1240 20402.1963 14472.7389 241.2571 -203193.9283 2660.8139 0.0000 0.0000 52089.8743 -109291.9238 299.3612 -161381.7981 -108923.9841 299.5600 125.2918 153.6043 762136.4729 -10.8331 -10.8078 PRESSURE: 3164800 51.4208 130.14 -51.0196 130.139 -228.166 -92.7317 -51.0193 -92.7322 -152.241 GPRESSURE: 3164800 31.5161 -21.9861 -116.41 76.8052 -137.057 -127.63 -85.0106 -0.602928 -140.339 PRESSAVG: 3164800 13.3375 -11.2071 -36.2809 -11.2071 -57.4783 -33.2725 -36.2808 -33.2725 23.5797 GPRESSAVG: 3164800 13.6083 -10.5334 -36.5939 -10.9751 -58.6937 -33.1872 -35.6189 -36.8675 24.2938 TIMING: 3164800 CPU: 10063.1, 0.00318411/step Wall: 10063.1, 0.00318411/step, 1.62319 hours remaining, 232.863281 MB of memory in use. ENERGY: 3164800 3990.5321 20379.4360 14514.3320 258.1060 -203235.9160 2441.4383 0.0000 0.0000 51955.9604 -109696.1113 298.5916 -161652.0717 -109335.4073 298.9578 -109.6620 -81.9597 762207.5138 -6.8537 -6.9306 PRESSURE: 3165000 53.8584 -35.341 -207.962 -35.3412 -20.6914 120.817 -207.962 120.818 203.415 GPRESSURE: 3165000 63.0276 -58.0849 -152.908 42.6403 43.0311 90.9265 -196.795 185.794 203.868 PRESSAVG: 3165000 -8.14882 0.624114 49.0784 0.624149 7.99814 -16.4192 49.0784 -16.4193 10.4425 GPRESSAVG: 3165000 -9.28234 -1.35959 50.3958 1.55543 9.93605 -17.8751 47.2185 -12.9642 9.34512 TIMING: 3165000 CPU: 10063.7, 0.00317764/step Wall: 10063.7, 0.00317764/step, 1.61972 hours remaining, 232.863281 MB of memory in use. ENERGY: 3165000 3970.5793 20540.3234 14541.4553 248.7162 -203649.3317 2689.2943 0.0000 0.0000 52070.0217 -109588.9415 299.2471 -161658.9632 -109225.2031 298.7063 78.8608 103.3090 760860.3185 3.4306 3.3329 PRESSURE: 3165200 -166.742 -263.735 -44.4028 -263.735 -380.667 -73.349 -44.4029 -73.3499 -44.7183 GPRESSURE: 3165200 -147.018 -231.062 -37.9538 -232.488 -365.819 -95.653 30.6473 -74.9888 -7.89641 PRESSAVG: 3165200 20.4961 5.147 16.1526 5.14704 6.58844 -12.1677 16.1526 -12.1677 23.438 GPRESSAVG: 3165200 20.9392 6.9342 17.1534 2.14746 6.5911 -11.0012 16.6017 -12.8822 23.4492 TIMING: 3165200 CPU: 10064.3, 0.00315878/step Wall: 10064.3, 0.00315878/step, 1.60992 hours remaining, 232.863281 MB of memory in use. ENERGY: 3165200 3963.7006 20357.0563 14633.7221 259.6658 -203150.3745 2407.9551 0.0000 0.0000 51795.3368 -109732.9377 297.6685 -161528.2745 -109363.0551 298.5858 -197.3759 -173.5780 762206.7949 16.8409 16.9932 PRESSURE: 3165400 -313.377 82.1229 14.4607 82.1231 130.828 100.716 14.4601 100.715 43.2637 GPRESSURE: 3165400 -167.13 43.3334 82.9235 34.9491 139.191 142.512 79.9077 63.4167 -28.4229 PRESSAVG: 3165400 7.21598 -75.2133 38.2768 -75.2132 -25.3098 -26.7412 38.2768 -26.7412 10.7475 GPRESSAVG: 3165400 7.94017 -76.9859 37.645 -72.678 -25.7716 -27.802 38.8233 -25.755 10.5175 TIMING: 3165400 CPU: 10065, 0.00315607/step Wall: 10065, 0.00315607/step, 1.60837 hours remaining, 232.863281 MB of memory in use. ENERGY: 3165400 3926.5917 20293.1658 14522.9334 250.1340 -203412.0018 2490.1290 0.0000 0.0000 52255.4418 -109673.6062 300.3127 -161929.0480 -109318.3836 298.6594 -46.4284 -18.7873 762118.2007 -2.4488 -2.4380 PRESSURE: 3165600 234.686 -139.572 35.6473 -139.573 20.8617 -58.7693 35.6463 -58.7697 154.566 GPRESSURE: 3165600 289.252 -35.023 62.5581 -97.5098 29.633 -88.4841 -20.6948 -84.8143 177.788 PRESSAVG: 3165600 -5.4843 -14.6217 1.67923 -14.6216 -3.46206 34.2751 1.67921 34.275 6.38577 GPRESSAVG: 3165600 -6.66351 -13.1131 2.30629 -14.6334 -3.18196 33.7588 1.94484 33.3129 7.24048 TIMING: 3165600 CPU: 10065.6, 0.00315214/step Wall: 10065.6, 0.00315214/step, 1.60619 hours remaining, 232.863281 MB of memory in use. ENERGY: 3165600 3931.3553 20339.9196 14495.6156 239.0508 -203366.1739 2638.6608 0.0000 0.0000 51838.4778 -109883.0940 297.9164 -161721.5718 -109524.9896 299.1469 136.7047 165.5575 759804.1085 -0.8535 -0.8683 PRESSURE: 3165800 116.864 -115.843 93.105 -115.843 -122.496 -20.5405 93.1053 -20.5407 -238.323 GPRESSURE: 3165800 56.3004 -12.0106 40.9503 -178.762 -67.1422 7.59453 -34.8923 51.6252 -111.107 PRESSAVG: 3165800 -11.3402 20.216 68.7758 20.2161 19.8795 15.1292 68.7758 15.1292 -10.125 GPRESSAVG: 3165800 -10.0902 22.2605 67.9248 18.3543 20.4317 15.7949 67.6269 13.9108 -11.534 TIMING: 3165800 CPU: 10066.2, 0.00314036/step Wall: 10066.2, 0.00314036/step, 1.60001 hours remaining, 232.863281 MB of memory in use. ENERGY: 3165800 3973.7857 20374.0022 14522.4611 231.3002 -203436.9698 2590.4441 0.0000 0.0000 51907.7815 -109837.1949 298.3147 -161744.9764 -109486.9760 298.1007 -81.3180 -40.6497 760593.9077 -0.5286 -0.3975 PRESSURE: 3166000 469.834 104.785 -2.85746 104.785 140.355 302.058 -2.85757 302.057 -185.8 GPRESSURE: 3166000 514.459 145.901 -14.3237 13.4586 161.384 285.82 60.0622 165.44 -172.371 PRESSAVG: 3166000 -55.7779 0.389176 92.3089 0.3892 44.1546 -17.3118 92.3088 -17.3118 -18.7544 GPRESSAVG: 3166000 -55.757 -1.12858 92.3963 1.47285 42.9084 -17.4838 93.8119 -16.3052 -17.652 TIMING: 3166000 CPU: 10066.9, 0.00315968/step Wall: 10066.9, 0.00315968/step, 1.60968 hours remaining, 232.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3166000 3884.7036 20404.2578 14557.2650 241.3292 -203552.0745 2440.7623 0.0000 0.0000 52077.5398 -109946.2167 299.2903 -162023.7565 -109574.7297 298.2639 141.4628 167.8240 759075.9254 -10.1259 -10.1669 PRESSURE: 3166200 37.786 -58.9843 4.37217 -58.9844 -122 52.5417 4.37272 52.5423 -126.946 GPRESSURE: 3166200 59.9418 6.61492 1.8752 -25.7983 -126.664 165.417 66.415 36.0928 -52.3368 PRESSAVG: 3166200 24.0322 -37.1408 33.2654 -37.1408 -25.2453 28.3988 33.2653 28.3987 2.9744 GPRESSAVG: 3166200 23.4099 -37.3835 32.8681 -37.0117 -24.5881 28.782 33.7064 26.8958 2.78738 TIMING: 3166200 CPU: 10067.5, 0.00316891/step Wall: 10067.5, 0.00316891/step, 1.61421 hours remaining, 232.863281 MB of memory in use. ENERGY: 3166200 3989.9435 20492.0741 14618.0582 236.5931 -203281.4761 2184.8232 0.0000 0.0000 51778.6599 -109981.3242 297.5727 -161759.9840 -109629.4753 298.0556 -70.3867 -39.6864 758771.9254 0.5871 0.5364 PRESSURE: 3166400 45.9913 7.79249 272.444 7.79193 332.976 30.2293 272.444 30.2286 35.3963 GPRESSURE: 3166400 205.947 46.6544 242.601 79.0413 318.949 -86.2741 303.962 80.9129 -5.09329 PRESSAVG: 3166400 -31.4879 -65.8901 4.04408 -65.8901 0.836088 -0.242147 4.04405 -0.242147 -7.19006 GPRESSAVG: 3166400 -30.501 -64.6729 3.34998 -64.0072 -0.263256 -0.566242 3.54244 1.75911 -7.65528 TIMING: 3166400 CPU: 10068.1, 0.00312878/step Wall: 10068.1, 0.00312878/step, 1.59359 hours remaining, 232.863281 MB of memory in use. ENERGY: 3166400 3937.7006 20438.1345 14558.0507 213.6005 -203755.8123 2856.2382 0.0000 0.0000 51882.6999 -109869.3880 298.1706 -161752.0878 -109511.3649 298.1678 138.1212 173.2677 760061.7831 -12.6139 -12.8065 PRESSURE: 3166600 14.6974 31.8642 128.45 31.8642 -178.392 54.9775 128.448 54.9778 -84.5257 GPRESSURE: 3166600 40.0628 -13.0123 -17.8339 36.7738 -113.388 0.418768 146.921 59.5869 -87.9364 PRESSAVG: 3166600 13.4501 -93.4823 -12.476 -93.4823 11.0469 -12.837 -12.476 -12.837 31.4502 GPRESSAVG: 3166600 13.9602 -94.4063 -14.1201 -95.1763 10.9313 -12.7582 -13.8529 -13.0088 30.7532 TIMING: 3166600 CPU: 10068.8, 0.00314322/step Wall: 10068.8, 0.00314322/step, 1.60077 hours remaining, 232.863281 MB of memory in use. ENERGY: 3166600 3976.7534 20401.9044 14573.7955 240.1510 -203711.6838 2662.7389 0.0000 0.0000 51897.5781 -109958.7624 298.2561 -161856.3405 -109592.7315 297.7703 -82.7400 -53.7538 761811.2011 18.6491 18.5482 PRESSURE: 3166800 -204.001 -111.834 328.012 -111.834 109.938 79.2964 328.012 79.2972 -3.3762 GPRESSURE: 3166800 -138.314 -149.172 305.87 -32.2531 149.107 62.8334 295.576 148.853 -2.91487 PRESSAVG: 3166800 16.7079 -92.5647 21.8924 -92.5647 -11.3328 -40.287 21.8925 -40.2869 2.12913 GPRESSAVG: 3166800 14.5316 -94.2937 23.2638 -90.8966 -10.894 -39.9634 23.6959 -42.1225 4.30582 TIMING: 3166800 CPU: 10069.4, 0.00312839/step Wall: 10069.4, 0.00312839/step, 1.59305 hours remaining, 232.863281 MB of memory in use. ENERGY: 3166800 4021.5048 20449.8860 14523.5760 262.8027 -203706.4366 2725.7280 0.0000 0.0000 51958.8595 -109764.0795 298.6083 -161722.9390 -109400.7074 298.0982 -32.4795 2.6261 762816.2913 2.5014 2.6478 PRESSURE: 3167000 149.178 -256.799 -112.727 -256.799 -85.3688 -148.631 -112.728 -148.63 -48.2538 GPRESSURE: 3167000 208.746 -148.627 -130.586 -208.758 -33.2161 -170.064 -234.17 -72.3252 -83.8462 PRESSAVG: 3167000 -27.1213 -58.3486 -20.3873 -58.3486 -21.9885 -28.8224 -20.3873 -28.8224 3.89111 GPRESSAVG: 3167000 -25.1079 -56.698 -20.9227 -58.3518 -23.3457 -31.5051 -23.0208 -26.0612 3.01944 TIMING: 3167000 CPU: 10070, 0.00315626/step Wall: 10070, 0.00315626/step, 1.60706 hours remaining, 232.863281 MB of memory in use. ENERGY: 3167000 3950.6014 20520.3756 14534.8224 264.2519 -203756.1645 2883.0633 0.0000 0.0000 52059.8141 -109543.2357 299.1885 -161603.0498 -109182.9693 298.5880 5.1852 30.5611 761756.1007 -15.0729 -15.1447 PRESSURE: 3167200 135.708 -104.222 53.8156 -104.222 -140.496 -128.135 53.8153 -128.135 -50.4122 GPRESSURE: 3167200 36.5714 -44.6798 102.625 -74.1948 -20.2352 -192.897 -70.7406 -135.599 35.3106 PRESSAVG: 3167200 -30.3343 -49.6489 14.5255 -49.649 6.24444 -2.08778 14.5255 -2.08779 -8.75317 GPRESSAVG: 3167200 -30.6739 -49.5837 14.0585 -51.7025 7.30963 0.250659 17.5733 -4.16439 -9.23791 TIMING: 3167200 CPU: 10070.6, 0.00313857/step Wall: 10070.6, 0.00313857/step, 1.59788 hours remaining, 232.863281 MB of memory in use. ENERGY: 3167200 4024.9396 20496.3057 14619.8102 254.1115 -203605.3905 2736.8476 0.0000 0.0000 51922.0090 -109551.3670 298.3965 -161473.3760 -109193.3338 298.4583 -18.4001 17.2156 760145.3709 -10.9477 -10.8674 PRESSURE: 3167400 -266.067 -145.31 106.412 -145.31 -525.512 133.172 106.412 133.17 -242.317 GPRESSURE: 3167400 -234.565 -168.407 114.414 -49.7799 -421.318 172.468 36.6128 109.275 -273.433 PRESSAVG: 3167400 -48.511 -38.0661 -17.6788 -38.0661 48.2741 43.4068 -17.6788 43.4068 26.0678 GPRESSAVG: 3167400 -48.065 -39.2541 -17.4264 -36.9161 47.9536 43.5262 -20.3533 43.586 26.2808 TIMING: 3167400 CPU: 10071.3, 0.00313211/step Wall: 10071.3, 0.00313211/step, 1.59442 hours remaining, 232.863281 MB of memory in use. ENERGY: 3167400 4052.7581 20349.7053 14534.9537 246.4283 -203009.2428 2294.1207 0.0000 0.0000 51907.2853 -109623.9913 298.3119 -161531.2766 -109265.8066 298.7495 -344.6322 -309.7718 762473.6153 8.6103 8.7231 PRESSURE: 3167600 178.359 -160.082 202.597 -160.082 -20.5602 117.065 202.597 117.064 -163.992 GPRESSURE: 3167600 201.48 -45.6222 203.82 -87.9542 -15.7182 76.1157 168.76 125.666 -105.039 PRESSAVG: 3167600 -2.80741 -66.492 0.893294 -66.492 26.5601 9.24752 0.893274 9.24746 14.3904 GPRESSAVG: 3167600 -3.45597 -63.9516 2.15689 -67.5203 26.1605 9.66293 0.041549 8.51043 15.2649 TIMING: 3167600 CPU: 10071.9, 0.00311729/step Wall: 10071.9, 0.00311729/step, 1.5867 hours remaining, 232.863281 MB of memory in use. ENERGY: 3167600 3987.6236 20471.3245 14607.4882 236.9363 -203277.3050 2368.0479 0.0000 0.0000 52187.4324 -109418.4521 299.9219 -161605.8845 -109054.4639 298.7876 -2.0644 26.9077 760716.1133 12.7143 12.6565 PRESSURE: 3167800 -154.014 -99.8505 -140.818 -99.8506 -37.1244 38.5462 -140.817 38.5464 -105.679 GPRESSURE: 3167800 -133.275 18.7107 -88.6248 -62.3383 -3.36853 -14.074 -115.905 24.4877 -81.7701 PRESSAVG: 3167800 -4.92868 -58.9712 18.9477 -58.9712 5.77282 41.9772 18.9478 41.9772 -2.88307 GPRESSAVG: 3167800 -3.50036 -62.3336 17.5851 -56.5029 4.88293 41.2206 22.6936 41.4404 -3.4126 TIMING: 3167800 CPU: 10072.5, 0.00313568/step Wall: 10072.5, 0.00313568/step, 1.59589 hours remaining, 232.863281 MB of memory in use. ENERGY: 3167800 4029.1927 20458.6426 14596.0515 239.0602 -203600.1773 2742.6284 0.0000 0.0000 52174.7670 -109359.8349 299.8491 -161534.6019 -108992.3409 298.8734 -98.9391 -72.8046 762587.4363 -0.6796 -0.6767 PRESSURE: 3168000 43.1661 59.8521 -113.57 59.8521 -144.167 118.681 -113.57 118.681 507.425 GPRESSURE: 3168000 37.1232 50.3344 -140.492 -44.1028 -53.9778 179.662 -1.92315 252.382 511.622 PRESSAVG: 3168000 -13.8471 1.20537 46.311 1.20537 11.3618 30.2233 46.311 30.2233 -7.70107 GPRESSAVG: 3168000 -14.4961 2.05398 47.7425 -1.59454 11.7557 30.1676 44.6283 30.1673 -7.84557 TIMING: 3168000 CPU: 10073.1, 0.00313019/step Wall: 10073.1, 0.00313019/step, 1.59292 hours remaining, 232.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3168000 3978.4083 20581.5464 14520.4785 262.0746 -203479.1537 2635.0700 0.0000 0.0000 52058.1386 -109443.4373 299.1788 -161501.5759 -109075.6399 299.1207 135.4748 164.9224 760900.0942 -3.3955 -3.5287 PRESSURE: 3168200 19.6484 -82.4339 86.6924 -82.4334 -107.913 212.325 86.6927 212.325 89.8056 GPRESSURE: 3168200 97.6554 -6.8532 51.9958 -113.414 -65.3054 177.881 2.77476 254.434 61.2928 PRESSAVG: 3168200 47.157 -3.97543 -10.4557 -3.97535 -26.7758 77.1908 -10.4557 77.1908 22.8365 GPRESSAVG: 3168200 46.3288 -4.4002 -11.4741 -2.44878 -25.7904 77.1422 -10.716 79.126 22.5012 TIMING: 3168200 CPU: 10073.8, 0.00311349/step Wall: 10073.8, 0.00311349/step, 1.58425 hours remaining, 232.863281 MB of memory in use. ENERGY: 3168200 3929.9873 20497.0304 14499.9696 250.9657 -203307.7854 2557.6143 0.0000 0.0000 52276.0171 -109296.2010 300.4310 -161572.2181 -108937.9600 299.2486 0.5135 31.2143 761922.6626 14.4059 14.3465 LDB: ============= START OF LOAD BALANCING ============== 10086.2 LDB: ============== END OF LOAD BALANCING =============== 10086.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10086.2 LDB: ============= START OF LOAD BALANCING ============== 10086.5 LDB: Largest compute 7031 load 0.032706 is 16.7% of average load 0.195552 LDB: Average compute 0.004384 is 2.2% of average load 0.195552 LDB: TIME 10086.5 LOAD: AVG 0.195552 MAX 0.213992 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 10086.5 LOAD: AVG 0.195552 MAX 0.213992 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: TIME 10086.5 LOAD: AVG 0.195552 MAX 0.213992 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: ============== END OF LOAD BALANCING =============== 10086.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10086.5 PRESSURE: 3168400 92.5118 95.1919 9.01659 95.1916 101.739 95.4473 9.01648 95.447 -100.511 GPRESSURE: 3168400 134.908 121.404 -31.8127 7.80373 55.6616 145.505 36.579 73.4035 -15.0644 PRESSAVG: 3168400 55.1829 54.7007 11.1347 54.7007 -42.5191 36.5966 11.1348 36.5966 -13.5876 GPRESSAVG: 3168400 55.5286 56.0329 10.3888 55.0387 -42.8978 36.751 11.9089 35.4457 -13.8288 TIMING: 3168400 CPU: 10074.4, 0.00319965/step Wall: 10074.4, 0.00319965/step, 1.62791 hours remaining, 234.648438 MB of memory in use. ENERGY: 3168400 3968.5834 20675.8945 14508.9586 237.6363 -203378.4023 2627.7017 0.0000 0.0000 51849.9344 -109509.6933 297.9823 -161359.6277 -109154.6004 299.2106 31.2468 58.5019 761176.0567 -0.3080 -0.3993 PRESSURE: 3168600 -100.939 -22.542 31.6246 -22.5419 71.0915 -25.6641 31.6248 -25.6629 280.814 GPRESSURE: 3168600 23.1647 -48.7323 134.243 -36.8232 65.5633 39.9206 77.5116 -145.706 273.378 PRESSAVG: 3168600 -11.8772 16.0216 -18.0515 16.0216 10.368 0.69605 -18.0515 0.695962 18.968 GPRESSAVG: 3168600 -11.6138 17.3438 -15.6323 14.422 9.88423 -0.243846 -19.6111 0.543458 19.4627 TIMING: 3168600 CPU: 10075, 0.00311981/step Wall: 10075, 0.00311981/step, 1.58712 hours remaining, 234.648438 MB of memory in use. ENERGY: 3168600 3925.7794 20404.1602 14487.5095 266.3552 -203303.9007 2507.6465 0.0000 0.0000 52137.6234 -109574.8263 299.6356 -161712.4497 -109215.6750 298.7219 83.6557 120.7018 762078.6516 5.8196 5.9110 PRESSURE: 3168800 173.533 72.8768 -54.1812 72.8764 -257.328 99.0312 -54.181 99.0321 238.357 GPRESSURE: 3168800 170.06 -45.7355 -114.987 -37.6922 -185.857 88.9156 -48.7144 62.6843 264.863 PRESSAVG: 3168800 1.34736 -32.6737 31.677 -32.6737 23.9897 4.40832 31.677 4.40835 2.90529 GPRESSAVG: 3168800 1.14719 -33.4752 30.2874 -32.092 24.0569 4.78523 31.2869 5.32885 2.98083 TIMING: 3168800 CPU: 10075.7, 0.00312563/step Wall: 10075.7, 0.00312563/step, 1.5899 hours remaining, 234.648438 MB of memory in use. ENERGY: 3168800 3973.0836 20491.0704 14524.7953 229.8251 -203434.3427 2541.6938 0.0000 0.0000 52064.3894 -109609.4851 299.2148 -161673.8745 -109246.1257 298.4134 51.5207 83.0223 761245.0079 9.4141 9.3950 PRESSURE: 3169000 -606.612 139.696 -35.8454 139.696 -205.83 86.4956 -35.8452 86.496 -189.833 GPRESSURE: 3169000 -568.006 186.823 -20.1132 129.571 -154.015 -15.9373 14.4634 182.513 -195.37 PRESSAVG: 3169000 -7.32367 -56.0371 5.82937 -56.0371 23.2006 23.242 5.82935 23.242 -16.7639 GPRESSAVG: 3169000 -7.65918 -56.0008 6.00182 -55.4462 22.9921 23.5746 6.36511 22.0684 -16.171 TIMING: 3169000 CPU: 10076.3, 0.00310231/step Wall: 10076.3, 0.00310231/step, 1.57787 hours remaining, 234.972656 MB of memory in use. ENERGY: 3169000 4015.8991 20441.1532 14477.3885 264.9558 -203261.4348 2330.1965 0.0000 0.0000 52071.7060 -109660.1357 299.2568 -161731.8417 -109290.5545 298.5537 -334.0916 -305.7969 762195.1246 -0.2956 -0.2794 PRESSURE: 3169200 204.171 32.7987 45.7598 32.7984 307.057 79.3496 45.7616 79.3498 -159.294 GPRESSURE: 3169200 342.682 35.1525 105.809 -89.6539 301.525 162.773 19.3172 66.0074 -195.848 PRESSAVG: 3169200 -20.7808 -68.1502 -11.2144 -68.1502 19.2521 26.04 -11.2144 26.0398 -2.74392 GPRESSAVG: 3169200 -20.483 -68.5628 -9.87091 -67.7034 19.0341 25.4479 -11.7588 27.5442 -3.51939 TIMING: 3169200 CPU: 10076.9, 0.0031126/step Wall: 10076.9, 0.0031126/step, 1.58293 hours remaining, 235.183594 MB of memory in use. ENERGY: 3169200 4004.5437 20596.4132 14566.7835 250.5407 -203637.3355 2535.5809 0.0000 0.0000 51870.6057 -109812.8679 298.1011 -161683.4736 -109456.2483 298.5919 117.3115 149.4529 760399.5640 -1.4242 -1.6561 PRESSURE: 3169400 -42.4512 -130.23 -101.661 -130.23 100.504 278.077 -101.661 278.077 159.178 GPRESSURE: 3169400 24.4283 -48.3595 -105.186 -107.04 138.471 256.825 -32.2188 286.628 148.703 PRESSAVG: 3169400 12.1428 -81.2753 -44.8868 -81.2753 73.8472 32.8021 -44.8869 32.8022 -4.5457 GPRESSAVG: 3169400 11.5736 -81.687 -43.937 -82.1785 73.8262 34.8113 -45.8349 31.9361 -3.3483 TIMING: 3169400 CPU: 10077.5, 0.00313253/step Wall: 10077.5, 0.00313253/step, 1.59289 hours remaining, 235.183594 MB of memory in use. ENERGY: 3169400 3918.4668 20576.1217 14534.6423 267.5580 -203759.1713 2500.7995 0.0000 0.0000 52253.8118 -109707.7712 300.3034 -161961.5830 -109343.8715 299.2163 72.4102 103.8676 758113.7601 27.1481 27.3505 PRESSURE: 3169600 158.243 -72.6265 -108.202 -72.6267 56.1662 215.617 -108.201 215.617 -121.378 GPRESSURE: 3169600 241.767 -46.3063 -124.573 -194.752 45.3289 149.142 -112.364 225.901 -117.27 PRESSAVG: 3169600 -23.9257 -60.7868 -60.3588 -60.7869 31.2707 6.26403 -60.3588 6.264 0.456358 GPRESSAVG: 3169600 -24.0489 -60.4483 -63.0709 -59.076 31.9142 3.98001 -57.4492 7.15411 0.287347 TIMING: 3169600 CPU: 10078.1, 0.00312184/step Wall: 10078.1, 0.00312184/step, 1.58728 hours remaining, 235.183594 MB of memory in use. ENERGY: 3169600 3974.3633 20723.6531 14514.3565 237.0333 -203896.7267 2700.3873 0.0000 0.0000 52051.1429 -109695.7903 299.1386 -161746.9332 -109330.8192 299.1283 31.0105 56.6085 759034.3452 2.6005 2.7176 PRESSURE: 3169800 23.7777 -20.4951 -26.114 -20.4955 91.2111 193.248 -26.1151 193.247 -90.0517 GPRESSURE: 3169800 -13.9366 98.1181 -50.7773 48.3163 196.649 177.912 -59.9977 42.7642 -71.566 PRESSAVG: 3169800 2.35362 1.99236 -4.33212 1.99243 -7.55473 43.715 -4.33212 43.715 -7.80461 GPRESSAVG: 3169800 2.72009 3.26305 -4.95856 0.618149 -7.20661 44.9407 -6.2152 42.9921 -8.30761 TIMING: 3169800 CPU: 10078.8, 0.00312345/step Wall: 10078.8, 0.00312345/step, 1.58792 hours remaining, 235.183594 MB of memory in use. ENERGY: 3169800 4025.9920 20566.6552 14473.1522 253.6730 -203812.2118 2922.6202 0.0000 0.0000 51898.3578 -109671.7615 298.2606 -161570.1193 -109304.5970 299.3625 8.3124 37.0489 760321.1522 -4.3352 -4.2647 PRESSURE: 3170000 -56.1256 -238.112 6.63101 -238.113 199.157 0.0343716 6.63178 0.0349064 537.366 GPRESSURE: 3170000 104.294 -143.148 -16.3661 -233.925 188.321 -66.1529 -86.2336 150.178 472.504 PRESSAVG: 3170000 44.2803 -30.3541 18.2567 -30.3541 -5.86323 15.5367 18.2568 15.5367 24.6431 GPRESSAVG: 3170000 44.5705 -32.5152 21.0906 -28.0376 -6.8116 15.394 17.273 14.8515 25.6006 TIMING: 3170000 CPU: 10079.4, 0.00312336/step Wall: 10079.4, 0.00312336/step, 1.58771 hours remaining, 235.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3170000 3971.2300 20537.6385 14541.8071 254.2226 -203668.8269 2735.3549 0.0000 0.0000 52133.4318 -109495.1419 299.6115 -161628.5737 -109131.7513 298.9188 226.7991 255.0397 760319.1561 21.0201 21.1198 PRESSURE: 3170200 -57.9868 -74.9635 -124.204 -74.9642 -144.232 -18.9527 -124.205 -18.9523 -152.315 GPRESSURE: 3170200 -56.4594 -91.3147 -271.731 68.012 -109.182 1.60989 -95.337 -5.26433 -113.249 PRESSAVG: 3170200 9.55259 -53.3337 3.59572 -53.3337 -9.23885 0.762439 3.59569 0.762465 28.5339 GPRESSAVG: 3170200 10.8503 -52.5982 2.37251 -53.215 -7.7157 -0.0806786 5.74758 4.75915 26.5345 TIMING: 3170200 CPU: 10080, 0.00311829/step Wall: 10080, 0.00311829/step, 1.58496 hours remaining, 235.183594 MB of memory in use. ENERGY: 3170200 3896.7791 20586.4848 14545.4311 260.2777 -203803.1387 2758.6594 0.0000 0.0000 52141.3056 -109614.2009 299.6568 -161755.5065 -109234.8158 299.3758 -118.1780 -92.9637 760715.7359 9.6159 9.8897 PRESSURE: 3170400 145.99 -73.129 -71.7943 -73.1303 134.673 -44.9873 -71.7947 -44.9866 391.808 GPRESSURE: 3170400 260.837 -90.2947 -218.67 -91.991 104.157 -41.9265 -114.966 -25.5328 407.091 PRESSAVG: 3170400 43.2004 -74.9321 17.5776 -74.9321 12.0057 24.2341 17.5776 24.2341 11.8525 GPRESSAVG: 3170400 42.8893 -73.7769 17.422 -78.7945 11.7347 23.4726 15.3747 21.0174 12.4561 TIMING: 3170400 CPU: 10080.6, 0.00312361/step Wall: 10080.6, 0.00312361/step, 1.58749 hours remaining, 235.183594 MB of memory in use. ENERGY: 3170400 4002.1912 20429.1053 14546.0782 239.3756 -203963.8642 2916.3767 0.0000 0.0000 51923.5552 -109907.1819 298.4054 -161830.7371 -109543.1921 298.9105 224.1568 257.3615 760607.9442 22.3528 22.3600 PRESSURE: 3170600 -98.2937 -103.438 112.903 -103.438 85.1779 -48.8106 112.904 -48.8102 275.99 GPRESSURE: 3170600 -50.2094 -56.7017 78.6741 -39.5443 156.8 -175.344 106.194 153.855 260.949 PRESSAVG: 3170600 15.3106 -33.8203 -5.05799 -33.8203 5.07689 -88.1274 -5.05801 -88.1273 -3.76429 GPRESSAVG: 3170600 15.2356 -34.1982 -5.44544 -31.4596 3.92761 -85.391 -2.87059 -88.2894 -3.02456 TIMING: 3170600 CPU: 10081.3, 0.00313976/step Wall: 10081.3, 0.00313976/step, 1.59552 hours remaining, 235.183594 MB of memory in use. ENERGY: 3170600 3974.6138 20428.0975 14523.5260 240.7412 -203793.4104 2846.7362 0.0000 0.0000 52078.3055 -109701.3901 299.2947 -161779.6956 -109343.6973 298.9351 87.6247 122.5131 761025.7440 5.5411 5.3796 PRESSURE: 3170800 -29.1505 7.42003 -14.9019 7.4197 44.6419 24.6978 -14.9021 24.6977 511.068 GPRESSURE: 3170800 -42.5113 -72.7895 -130.187 79.9141 178.117 96.7577 82.6775 -81.4285 496.376 PRESSAVG: 3170800 -80.1069 -90.7325 -27.8555 -90.7325 75.4305 -13.7269 -27.8554 -13.7269 11.611 GPRESSAVG: 3170800 -81.5447 -90.6562 -28.2183 -90.6803 76.7374 -15.0326 -28.1183 -11.1343 11.5008 TIMING: 3170800 CPU: 10081.9, 0.00313586/step Wall: 10081.9, 0.00313586/step, 1.59336 hours remaining, 235.183594 MB of memory in use. ENERGY: 3170800 3998.2766 20524.5491 14475.8599 231.5631 -203586.2623 2654.0953 0.0000 0.0000 52143.0119 -109558.9063 299.6666 -161701.9182 -109195.2315 299.0651 175.5198 210.6604 762062.4932 2.3115 2.2311 PRESSURE: 3171000 -186.827 29.418 -3.63333 29.4181 166.085 89.3783 -3.63286 89.3788 -91.2836 GPRESSURE: 3171000 -85.9813 -0.0307472 -30.9598 62.3291 40.4192 39.2699 53.0343 130.369 11.8867 PRESSAVG: 3171000 -54.3385 -66.0101 -25.9727 -66.0101 26.3269 -16.3045 -25.9727 -16.3045 7.72541 GPRESSAVG: 3171000 -53.3868 -66.777 -26.8878 -66.3142 25.0147 -18.3308 -25.4386 -16.6647 7.79837 TIMING: 3171000 CPU: 10082.5, 0.0031298/step Wall: 10082.5, 0.0031298/step, 1.59011 hours remaining, 235.183594 MB of memory in use. ENERGY: 3171000 4067.3143 20487.7682 14436.5543 238.7634 -203387.3219 2731.3103 0.0000 0.0000 52119.5218 -109306.0894 299.5316 -161425.6113 -108947.2743 299.9133 -37.3420 -11.2251 762299.2420 -6.7621 -6.8579 PRESSURE: 3171200 -274.036 -131.286 70.3802 -131.286 -10.3788 -57.1811 70.3802 -57.182 206.752 GPRESSURE: 3171200 -163.952 20.3708 100.088 -178.263 -49.6669 -153.477 65.1564 35.611 220.241 PRESSAVG: 3171200 -50.5375 -57.6592 40.3173 -57.6592 31.6008 -32.4261 40.3172 -32.4261 15.5408 GPRESSAVG: 3171200 -51.4069 -56.4992 41.3212 -56.1054 32.2541 -30.7735 39.0759 -34.2369 16.1036 TIMING: 3171200 CPU: 10083.2, 0.00312717/step Wall: 10083.2, 0.00312717/step, 1.5886 hours remaining, 235.183594 MB of memory in use. ENERGY: 3171200 4009.9130 20642.9314 14487.2324 236.1414 -203441.4284 2815.0671 0.0000 0.0000 51858.5054 -109391.6376 298.0315 -161250.1430 -109035.9256 299.6571 -25.8876 2.2074 762229.3269 -1.1320 -1.0164 PRESSURE: 3171400 -389.621 12.566 80.2526 12.5663 -99.6459 66.9094 80.2524 66.9094 30.6963 GPRESSURE: 3171400 -296.513 -25.7043 58.8864 -78.0622 -126.347 -44.5758 44.7222 12.9127 71.5981 PRESSAVG: 3171400 -31.0846 -81.3535 -29.7363 -81.3535 38.7951 10.5501 -29.7364 10.55 28.4899 GPRESSAVG: 3171400 -30.3811 -82.0601 -28.4838 -82.7769 37.912 10.3229 -29.3968 12.8689 28.5004 TIMING: 3171400 CPU: 10083.8, 0.00313411/step Wall: 10083.8, 0.00313411/step, 1.59195 hours remaining, 235.183594 MB of memory in use. ENERGY: 3171400 4139.1072 20208.8255 14397.3782 222.6476 -203057.7482 2308.7378 0.0000 0.0000 52196.9799 -109584.0721 299.9768 -161781.0520 -109207.4918 299.0041 -152.8569 -117.0874 762385.1637 12.0668 12.0104 PRESSURE: 3171600 135.602 64.0682 -47.4726 64.0682 2.09889 -3.36147 -47.4726 -3.36005 -345.811 GPRESSURE: 3171600 52.3108 -117.421 -49.9889 139.771 137.276 -96.1005 -264.916 -23.1769 -329.266 PRESSAVG: 3171600 -33.2851 -61.4684 -39.7896 -61.4685 25.2749 33.615 -39.7896 33.6149 -21.0191 GPRESSAVG: 3171600 -32.7187 -61.0586 -39.5979 -61.1754 23.6577 33.4629 -40.0895 31.2226 -20.7302 TIMING: 3171600 CPU: 10084.4, 0.00312933/step Wall: 10084.4, 0.00312933/step, 1.58935 hours remaining, 235.183594 MB of memory in use. ENERGY: 3171600 3981.6529 20682.7142 14460.2292 249.6000 -202975.8620 2417.5985 0.0000 0.0000 51830.6330 -109353.4342 297.8714 -161184.0672 -108992.3026 299.1443 -69.3701 -46.5597 762197.7483 -9.6764 -9.9304 PRESSURE: 3171800 -7.35678 -112.836 120.884 -112.837 105.683 51.3409 120.882 51.3404 -276.355 GPRESSURE: 3171800 -56.1504 -85.6558 163.68 -132.194 173.051 106.028 173.982 4.54274 -216.405 PRESSAVG: 3171800 13.8685 -7.12084 -3.94149 -7.12085 0.115917 46.3567 -3.9414 46.3567 4.62225 GPRESSAVG: 3171800 14.2131 -7.56324 -6.34184 -6.99971 1.45401 46.7898 -1.36251 48.3098 2.80383 TIMING: 3171800 CPU: 10085, 0.00314489/step Wall: 10085, 0.00314489/step, 1.59708 hours remaining, 235.183594 MB of memory in use. ENERGY: 3171800 4038.8977 20569.2537 14468.1670 231.3264 -203527.0277 2726.5802 0.0000 0.0000 52200.3511 -109292.4515 299.9961 -161492.8026 -108934.3731 299.8154 -59.3429 -33.1680 761306.3406 6.2022 6.1570 PRESSURE: 3172000 -239.97 88.7074 152.114 88.7071 -235.931 -74.2789 152.114 -74.2793 42.0313 GPRESSURE: 3172000 -175.778 101.444 147.988 27.2382 -218.286 14.6392 133.77 129.646 62.9003 PRESSAVG: 3172000 14.0646 -42.6976 26.9261 -42.6975 -19.4452 25.3344 26.9261 25.3343 10.9535 GPRESSAVG: 3172000 13.2614 -41.5659 27.5879 -41.7227 -19.8337 26.2312 24.4745 23.8102 12.5435 TIMING: 3172000 CPU: 10085.7, 0.00311427/step Wall: 10085.7, 0.00311427/step, 1.58136 hours remaining, 235.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3172000 4001.8004 20606.5000 14468.9576 250.8815 -203126.3984 2435.6166 0.0000 0.0000 52200.5089 -109162.1333 299.9970 -161362.6422 -108806.1997 299.3125 -144.6234 -110.3880 762098.5319 1.8576 1.9904 PRESSURE: 3172200 -106.232 -123.586 19.7491 -123.587 41.4033 65.7978 19.7495 65.7984 -273.077 GPRESSURE: 3172200 -129.884 -212.792 -25.3705 -24.847 153.233 23.0213 -36.0202 81.2048 -278.425 PRESSAVG: 3172200 5.58324 -67.8204 13.846 -67.8205 -26.4451 6.26691 13.8461 6.26689 -14.4964 GPRESSAVG: 3172200 6.52935 -68.6677 15.5716 -68.7313 -26.4443 6.37556 13.9853 6.53059 -15.7483 TIMING: 3172200 CPU: 10086.3, 0.00312723/step Wall: 10086.3, 0.00312723/step, 1.58776 hours remaining, 235.183594 MB of memory in use. ENERGY: 3172200 4012.4460 20445.4087 14492.5627 229.4240 -202806.5724 2485.0597 0.0000 0.0000 52149.7348 -108991.9365 299.7052 -161141.6713 -108625.2099 300.2411 -112.6351 -85.0250 761974.6827 -11.7861 -11.8877 LDB: ============= START OF LOAD BALANCING ============== 10098.7 LDB: ============== END OF LOAD BALANCING =============== 10098.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10098.7 LDB: ============= START OF LOAD BALANCING ============== 10099 LDB: Largest compute 7031 load 0.030438 is 15.6% of average load 0.195531 LDB: Average compute 0.004398 is 2.2% of average load 0.195531 LDB: TIME 10099 LOAD: AVG 0.195531 MAX 0.216895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 10099 LOAD: AVG 0.195531 MAX 0.216895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 10099 LOAD: AVG 0.195531 MAX 0.216895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 10099 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10099 PRESSURE: 3172400 -46.0497 -7.88671 75.1824 -7.88712 415.322 60.932 75.1821 60.9328 11.9328 GPRESSURE: 3172400 17.1807 133.418 -39.4938 -135.913 362.335 42.7901 231.786 102.778 95.0744 PRESSAVG: 3172400 -8.64927 -49.4805 29.3713 -49.4805 9.4264 -26.3725 29.3713 -26.3726 23.1133 GPRESSAVG: 3172400 -10.4171 -49.0019 27.2585 -49.3287 10.3029 -28.5894 30.2154 -26.7822 23.9403 TIMING: 3172400 CPU: 10086.9, 0.00319834/step Wall: 10086.9, 0.00319834/step, 1.62369 hours remaining, 234.128906 MB of memory in use. ENERGY: 3172400 3964.7069 20527.1417 14515.9835 233.9628 -203634.5612 2990.9623 0.0000 0.0000 52171.0002 -109230.8037 299.8275 -161401.8040 -108865.7677 299.9806 127.0683 158.1966 762583.1540 7.9635 7.9420 PRESSURE: 3172600 248.304 37.0646 150.605 37.0643 451.147 -34.5588 150.605 -34.5597 487.297 GPRESSURE: 3172600 351.247 116.914 168.231 105.278 434.876 -81.2836 51.8011 86.887 472.611 PRESSAVG: 3172600 -1.93798 -33.9504 7.98671 -33.9504 16.7122 4.56565 7.98677 4.56558 -4.96821 GPRESSAVG: 3172600 -0.826353 -32.0955 8.45816 -35.7047 15.4266 6.64684 7.04095 5.08776 -5.6371 TIMING: 3172600 CPU: 10087.6, 0.00313399/step Wall: 10087.6, 0.00313399/step, 1.59085 hours remaining, 234.199219 MB of memory in use. ENERGY: 3172600 3916.9936 20657.8264 14525.9038 247.2563 -203450.7267 2871.5340 0.0000 0.0000 52092.6195 -109138.5931 299.3770 -161231.2126 -108774.9440 299.5333 395.5826 419.5778 761429.1191 3.2687 2.9877 PRESSURE: 3172800 4.91555 46.6485 -159.065 46.6478 131.234 184.499 -159.065 184.501 292.422 GPRESSURE: 3172800 50.7199 65.0554 -153.423 60.9278 136.325 125.835 -60.4599 218.553 316.858 PRESSAVG: 3172800 -36.5973 -36.3863 5.00772 -36.3864 -7.65022 -2.47196 5.00777 -2.47189 6.63582 GPRESSAVG: 3172800 -36.565 -38.6317 5.60835 -33.6844 -7.83352 -3.51315 7.08839 -3.24794 6.59014 TIMING: 3172800 CPU: 10088.2, 0.00312106/step Wall: 10088.2, 0.00312106/step, 1.58411 hours remaining, 234.199219 MB of memory in use. ENERGY: 3172800 4042.3092 20684.6127 14509.7285 261.7485 -203086.0808 2378.4436 0.0000 0.0000 52191.3024 -109017.9359 299.9441 -161209.2383 -108654.1704 299.7617 142.8570 167.9676 760531.9087 -12.5372 -12.6028 PRESSURE: 3173000 -310.722 -118.092 -53.5903 -118.092 -285.025 301.584 -53.59 301.585 -18.0422 GPRESSURE: 3173000 -251.813 -109.708 29.5544 15.0369 -197.599 298.317 -22.2212 363.691 -57.1904 PRESSAVG: 3173000 -51.2658 -3.57731 -15.2617 -3.57731 27.2734 16.551 -15.2617 16.5511 -5.47259 GPRESSAVG: 3173000 -51.0023 -2.97635 -15.0571 -3.20145 27.2255 18.2656 -15.2076 16.369 -6.18577 TIMING: 3173000 CPU: 10088.8, 0.00312945/step Wall: 10088.8, 0.00312945/step, 1.58819 hours remaining, 234.199219 MB of memory in use. ENERGY: 3173000 4017.4173 20538.4815 14559.0512 233.7461 -203122.9439 2203.6553 0.0000 0.0000 52292.2390 -109278.3536 300.5242 -161570.5925 -108911.6916 300.3417 -204.5967 -168.8676 760507.1135 -9.8216 -9.9875 PRESSURE: 3173200 -73.2654 87.4979 110.345 87.4985 47.363 47.6712 110.345 47.6722 22.4534 GPRESSURE: 3173200 -52.6704 105.871 81.3704 127.286 74.0721 27.0924 175.544 -58.3245 45.4063 PRESSAVG: 3173200 1.66801 -9.21889 28.598 -9.21894 -12.0337 15.203 28.598 15.2031 8.90704 GPRESSAVG: 3173200 0.297356 -9.38194 30.1858 -9.95232 -11.0015 14.5506 25.9053 15.0435 9.02265 TIMING: 3173200 CPU: 10089.4, 0.00311259/step Wall: 10089.4, 0.00311259/step, 1.57947 hours remaining, 234.199219 MB of memory in use. ENERGY: 3173200 4033.3839 20600.5004 14564.2687 262.0116 -203459.2829 2597.0410 0.0000 0.0000 52325.5733 -109076.5039 300.7158 -161402.0773 -108709.6480 300.6351 -1.1496 22.2693 761788.8580 -0.4862 -0.5605 PRESSURE: 3173400 55.0337 223.804 -18.2335 223.804 -241.32 -148.979 -18.2335 -148.978 -170.359 GPRESSURE: 3173400 152.901 239.001 16.7166 229.305 -285.18 -186.21 16.5461 50.3805 -138.093 PRESSAVG: 3173400 -38.226 -0.378926 31.486 -0.378902 29.4457 12.8608 31.4859 12.8608 -19.4358 GPRESSAVG: 3173400 -36.2608 0.251192 29.5647 -1.25281 28.2727 11.9815 34.1272 14.3163 -20.0903 TIMING: 3173400 CPU: 10090, 0.00310432/step Wall: 10090, 0.00310432/step, 1.5751 hours remaining, 234.199219 MB of memory in use. ENERGY: 3173400 4013.7138 20619.0328 14527.9204 240.1248 -203034.6277 2241.2318 0.0000 0.0000 52294.4094 -109098.1947 300.5367 -161392.6041 -108722.1899 300.0975 -118.8818 -90.1237 762008.9408 -9.4054 -9.3595 PRESSURE: 3173600 -89.7377 34.1813 -162.352 34.1805 105.468 -253.518 -162.351 -253.519 -27.1888 GPRESSURE: 3173600 -127.711 55.5798 -230.832 5.4714 198.198 -219.866 -153.051 -216.562 -1.3264 PRESSAVG: 3173600 -67.6177 -47.8648 -30.4222 -47.8648 64.989 -5.7341 -30.4221 -5.73413 -5.50184 GPRESSAVG: 3173600 -69.4891 -47.2756 -30.7202 -47.169 66.1094 -5.19156 -32.044 -5.77812 -5.42233 TIMING: 3173600 CPU: 10090.7, 0.00310467/step Wall: 10090.7, 0.00310467/step, 1.5751 hours remaining, 234.199219 MB of memory in use. ENERGY: 3173600 4047.2671 20678.1413 14477.3426 235.6857 -203104.4871 2604.3707 0.0000 0.0000 52030.8004 -109030.8794 299.0217 -161061.6798 -108669.7688 300.1463 -3.8196 23.0535 761839.4747 -2.7102 -2.9340 PRESSURE: 3173800 201.01 -169.805 104.81 -169.804 -18.148 151.852 104.811 151.853 432.25 GPRESSURE: 3173800 283.818 -154.02 130.839 -162.761 -1.72857 141.05 25.7706 119.486 417.148 PRESSAVG: 3173800 -15.8949 -46.4533 -15.5645 -46.4534 47.953 -12.0244 -15.5644 -12.0244 10.6211 GPRESSAVG: 3173800 -16.1195 -46.8068 -15.8412 -45.0233 47.3483 -11.6161 -14.8794 -11.5298 11.2474 TIMING: 3173800 CPU: 10091.3, 0.00313093/step Wall: 10091.3, 0.00313093/step, 1.58825 hours remaining, 234.199219 MB of memory in use. ENERGY: 3173800 3958.4700 20558.5086 14540.4434 248.3066 -202993.1011 2525.4796 0.0000 0.0000 52083.3098 -109078.5831 299.3235 -161161.8929 -108703.5673 300.2959 205.0374 233.0791 762047.2189 14.2264 14.1587 PRESSURE: 3174000 -191.595 140.252 -136.412 140.252 -60.5962 173.626 -136.411 173.626 -296.615 GPRESSURE: 3174000 -101.605 24.9245 -114.383 144.55 -90.7616 237.258 -87.1433 203.299 -278.739 PRESSAVG: 3174000 -41.841 -56.4375 36.6385 -56.4375 83.6402 4.55915 36.6384 4.5593 24.8572 GPRESSAVG: 3174000 -40.9036 -57.6368 36.0687 -57.9896 83.3481 4.9184 38.2971 5.1249 23.9848 TIMING: 3174000 CPU: 10091.9, 0.00312222/step Wall: 10091.9, 0.00312222/step, 1.58366 hours remaining, 234.199219 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: 3174000 4028.4475 20922.7403 14519.8788 248.7610 -203311.2254 2482.5505 0.0000 0.0000 52271.6497 -108837.1976 300.4059 -161108.8473 -108477.1464 300.7799 -182.9355 -157.0350 760823.9685 22.2188 22.1431 PRESSURE: 3174200 -23.9335 7.57976 132.757 7.57813 -125.175 157.062 132.757 157.062 253.484 GPRESSURE: 3174200 -48.8272 127.685 86.8665 16.4314 -43.3116 72.9701 74.5151 104.271 288.383 PRESSAVG: 3174200 -11.259 -26.9132 10.294 -26.9133 22.1092 7.85079 10.294 7.85069 -18.4086 GPRESSAVG: 3174200 -11.7286 -25.5407 11.155 -25.8628 23.2712 6.78522 8.02074 6.73943 -19.1148 TIMING: 3174200 CPU: 10092.5, 0.00312085/step Wall: 10092.5, 0.00312085/step, 1.58279 hours remaining, 234.199219 MB of memory in use. ENERGY: 3174200 4031.3161 20739.3726 14532.2078 260.0461 -202821.5223 2099.3178 0.0000 0.0000 52418.8191 -108740.4429 301.2517 -161159.2620 -108367.8323 301.0331 34.7921 65.4147 760947.0262 -2.5195 -2.5241 PRESSURE: 3174400 278.038 -32.1848 65.4473 -32.1855 243.654 126.875 65.4467 126.875 8.95808 GPRESSURE: 3174400 333.438 -113.364 119.782 30.4694 292.451 149.388 90.2737 238.586 3.36808 PRESSAVG: 3174400 -30.4229 -22.0684 -9.90364 -22.0684 28.6722 16.7952 -9.90362 16.7953 2.85282 GPRESSAVG: 3174400 -30.1434 -23.1632 -7.94644 -22.0575 27.4813 17.2026 -10.4018 16.9963 3.77889 TIMING: 3174400 CPU: 10093.2, 0.00312249/step Wall: 10093.2, 0.00312249/step, 1.58345 hours remaining, 234.457031 MB of memory in use. ENERGY: 3174400 3962.2023 20554.8567 14499.2553 244.8434 -203065.8630 2614.9553 0.0000 0.0000 52182.1886 -109007.5615 299.8918 -161189.7501 -108638.1335 300.4672 176.8835 209.7521 761528.7101 0.3674 0.3723 PRESSURE: 3174600 3.77832 -197.727 31.5043 -197.727 -162.74 -182.839 31.5046 -182.838 -192.881 GPRESSURE: 3174600 63.9315 -211.87 56.8943 -134.138 -179.08 -75.5292 -74.9012 -93.5606 -158.59 PRESSAVG: 3174600 -33.2961 -82.7898 5.4476 -82.7897 14.793 37.0838 5.4476 37.0838 14.06 GPRESSAVG: 3174600 -33.3991 -82.4624 3.22494 -82.1577 14.2576 37.0251 6.30021 36.9006 14.176 TIMING: 3174600 CPU: 10093.8, 0.00310225/step Wall: 10093.8, 0.00310225/step, 1.57301 hours remaining, 234.457031 MB of memory in use. ENERGY: 3174600 3987.9918 20432.4498 14442.4509 242.1797 -202969.8366 2643.9079 0.0000 0.0000 52300.5316 -108920.3249 300.5719 -161220.8565 -108546.0556 300.2732 -117.2810 -91.2463 764330.8618 -1.4810 -1.6552 PRESSURE: 3174800 -4.99007 -120.524 -23.3512 -120.523 106.214 158.308 -23.3513 158.308 -189.366 GPRESSURE: 3174800 37.5054 -208.426 59.0964 -180.823 125.218 201.703 -43.3628 198.22 -163.651 PRESSAVG: 3174800 -8.33922 -29.6588 -30.5026 -29.6587 -1.96901 26.5188 -30.5026 26.5188 14.9009 GPRESSAVG: 3174800 -8.76121 -30.2338 -29.274 -29.8913 -1.28728 27.0875 -32.7622 26.2827 15.0633 TIMING: 3174800 CPU: 10094.4, 0.00311523/step Wall: 10094.4, 0.00311523/step, 1.57942 hours remaining, 234.457031 MB of memory in use. ENERGY: 3174800 3969.6673 20484.6002 14485.0014 240.3348 -202651.7440 2243.8407 0.0000 0.0000 52223.0110 -109005.2887 300.1264 -161228.2997 -108645.5664 300.3330 -29.3807 -0.3094 763062.6906 1.5309 1.6716 PRESSURE: 3175000 -3.51309 -143.708 27.3801 -143.708 -54.7232 -144.135 27.381 -144.135 -64.6888 GPRESSURE: 3175000 110.028 -87.1727 -17.6781 -157.11 -41.585 -118.405 -45.4059 -202.06 -100.495 PRESSAVG: 3175000 -21.8481 -9.58265 -33.6887 -9.58265 -20.6618 -40.7734 -33.6888 -40.7735 -0.944557 GPRESSAVG: 3175000 -19.7632 -9.05559 -35.8875 -9.87359 -22.0073 -41.0551 -30.3092 -41.2264 -1.335 TIMING: 3175000 CPU: 10095, 0.00310648/step Wall: 10095, 0.00310648/step, 1.57481 hours remaining, 234.457031 MB of memory in use. ENERGY: 3175000 4053.2835 20672.0252 14506.3544 241.7645 -203495.2724 2894.2508 0.0000 0.0000 52124.6625 -109002.9314 299.5612 -161127.5939 -108638.2804 300.2987 -40.9751 -10.6842 763363.4909 -14.4848 -14.3685 PRESSURE: 3175200 4.15871 -102.452 -157.818 -102.452 -164.001 100.038 -157.817 100.039 156.324 GPRESSURE: 3175200 -4.82168 -131.465 -157.184 -78.8301 -126.902 64.3995 -227.855 46.4697 206.499 PRESSAVG: 3175200 -20.4076 -48.0004 -27.9001 -48.0004 3.94665 -26.8704 -27.9001 -26.8704 9.73881 GPRESSAVG: 3175200 -21.962 -45.113 -27.1775 -48.4699 6.01257 -28.2215 -29.7444 -27.0803 9.16998 TIMING: 3175200 CPU: 10095.7, 0.00312219/step Wall: 10095.7, 0.00312219/step, 1.58261 hours remaining, 234.457031 MB of memory in use. ENERGY: 3175200 3983.2213 20834.7168 14478.7557 246.5339 -203155.8903 2407.2079 0.0000 0.0000 52186.2010 -109019.2537 299.9148 -161205.4546 -108652.1925 300.2688 -1.1726 24.9251 764117.4451 -2.2407 -2.2598 PRESSURE: 3175400 387.78 81.6132 -131.366 81.6136 -101.399 -11.6854 -131.365 -11.6858 -312.836 GPRESSURE: 3175400 397.945 7.85729 -68.0333 -30.5602 -57.6965 -81.5136 31.904 1.23917 -285.076 PRESSAVG: 3175400 15.4684 -43.6398 9.55194 -43.6397 11.7471 -50.8134 9.55196 -50.8133 13.4737 GPRESSAVG: 3175400 15.2489 -44.4335 11.0206 -43.1799 11.4779 -50.3465 10.4805 -49.7274 14.0916 TIMING: 3175400 CPU: 10096.3, 0.0031117/step Wall: 10096.3, 0.0031117/step, 1.57711 hours remaining, 234.457031 MB of memory in use. ENERGY: 3175400 4041.5314 20701.0369 14427.9099 224.1451 -203175.2105 2636.0093 0.0000 0.0000 52245.5955 -108898.9823 300.2562 -161144.5778 -108534.6134 300.8076 -8.8187 18.3907 762464.9199 13.5631 13.6062 PRESSURE: 3175600 102.556 95.823 16.4952 95.822 27.1554 -196.979 16.4944 -196.979 315.86 GPRESSURE: 3175600 158.15 96.0869 21.7698 -27.6325 71.5567 -165.606 -12.482 -107.602 299.037 PRESSAVG: 3175600 -4.36346 -66.824 21.3959 -66.824 25.0404 -19.772 21.3959 -19.772 -10.6068 GPRESSAVG: 3175600 -4.30459 -67.106 21.0021 -69.0021 24.3234 -18.0489 20.8804 -20.1892 -10.1891 TIMING: 3175600 CPU: 10096.9, 0.00311919/step Wall: 10096.9, 0.00311919/step, 1.58074 hours remaining, 234.457031 MB of memory in use. ENERGY: 3175600 3902.1468 20717.9956 14458.8502 235.4571 -203342.2713 2690.7386 0.0000 0.0000 52434.8592 -108902.2238 301.3439 -161337.0830 -108533.6706 300.5149 148.5237 176.2479 761966.9077 3.3567 3.2765 PRESSURE: 3175800 100.59 -357.209 -115.592 -357.208 157.574 -210.855 -115.592 -210.855 306.854 GPRESSURE: 3175800 234.149 -403.479 -136.139 -243.396 91.1709 -185.554 -226.713 -247.658 325.79 PRESSAVG: 3175800 54.4251 -10.5713 42.5877 -10.5713 -41.9885 -22.2524 42.5876 -22.2525 11.5904 GPRESSAVG: 3175800 55.0211 -12.0843 43.4973 -8.85216 -42.1591 -24.9629 42.2102 -21.6479 10.9677 TIMING: 3175800 CPU: 10097.5, 0.0031167/step Wall: 10097.5, 0.0031167/step, 1.5793 hours remaining, 234.457031 MB of memory in use. ENERGY: 3175800 4027.0713 20753.7461 14481.9600 255.1712 -203495.3620 2788.9263 0.0000 0.0000 52380.4436 -108808.0435 301.0311 -161188.4871 -108443.2632 300.9066 188.3393 217.0365 761941.3312 8.0090 7.9432 PRESSURE: 3176000 -238.255 226.203 -66.1534 226.205 89.9788 -193.409 -66.1531 -193.408 -182.79 GPRESSURE: 3176000 -154.158 120.66 -3.23988 219.142 20.752 -171.362 86.745 -139.039 -133.899 PRESSAVG: 3176000 24.9876 -43.9208 35.4476 -43.9208 32.0753 12.1825 35.4476 12.1824 1.40048 GPRESSAVG: 3176000 24.1208 -43.245 33.6475 -43.9371 32.4601 13.1696 39.0952 12.0933 1.82564 TIMING: 3176000 CPU: 10098.1, 0.00312881/step Wall: 10098.1, 0.00312881/step, 1.58526 hours remaining, 234.457031 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: 3176000 3949.6084 20492.4700 14558.5560 248.9562 -203056.3138 2340.8888 0.0000 0.0000 52352.4675 -109113.3670 300.8704 -161465.8345 -108737.8804 300.7208 -110.3552 -89.1019 761571.0852 19.4878 19.4688 PRESSURE: 3176200 14.7403 -89.9555 -6.19741 -89.956 -136.021 14.7891 -6.19717 14.7896 -33.0389 GPRESSURE: 3176200 -51.0834 -113.771 -15.0399 -115.564 -50.7675 -46.3085 -68.319 199.418 29.533 PRESSAVG: 3176200 18.6309 -33.8569 9.4133 -33.8568 -22.5457 -1.15223 9.41328 -1.1521 -1.63914 GPRESSAVG: 3176200 17.1733 -33.7544 9.27774 -34.1132 -22.2589 -2.74148 6.64927 -1.05304 -0.738515 TIMING: 3176200 CPU: 10098.8, 0.00312263/step Wall: 10098.8, 0.00312264/step, 1.58196 hours remaining, 234.457031 MB of memory in use. ENERGY: 3176200 4014.2940 20763.0001 14552.8553 255.8259 -203091.2054 2251.5175 0.0000 0.0000 52120.8273 -109132.8854 299.5391 -161253.7127 -108777.9212 299.8585 -51.4399 -24.1060 761850.3590 -1.8513 -1.9414 LDB: ============= START OF LOAD BALANCING ============== 10111.2 LDB: ============== END OF LOAD BALANCING =============== 10111.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10111.2 LDB: ============= START OF LOAD BALANCING ============== 10111.5 LDB: Largest compute 7064 load 0.030522 is 15.6% of average load 0.195518 LDB: Average compute 0.004402 is 2.3% of average load 0.195518 LDB: TIME 10111.5 LOAD: AVG 0.195518 MAX 0.218605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.867 MB LDB: TIME 10111.5 LOAD: AVG 0.195518 MAX 0.218605 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: TIME 10111.5 LOAD: AVG 0.195518 MAX 0.215438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: ============== END OF LOAD BALANCING =============== 10111.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10111.5 PRESSURE: 3176400 -47.0313 -105.854 209.476 -105.855 228.091 -59.1691 209.477 -59.1693 72.505 GPRESSURE: 3176400 55.4334 0.23669 153.795 -36.9227 184.157 22.3363 223.057 -25.8651 118.081 PRESSAVG: 3176400 -37.5149 -48.8831 39.0588 -48.8832 1.39868 -85.5016 39.0589 -85.5016 -21.413 GPRESSAVG: 3176400 -35.1054 -47.8892 39.1897 -49.3169 0.624077 -82.8495 38.0924 -86.3671 -23.016 TIMING: 3176400 CPU: 10099.4, 0.00320012/step Wall: 10099.4, 0.00320012/step, 1.62104 hours remaining, 233.562500 MB of memory in use. ENERGY: 3176400 4015.7348 20682.0728 14463.3017 253.4212 -203538.0992 2665.2201 0.0000 0.0000 52287.0548 -109171.2936 300.4944 -161458.3485 -108810.3844 300.4316 84.5216 119.2236 762140.7739 -19.1764 -19.1658 PRESSURE: 3176600 -32.3663 95.6978 -175.485 95.6972 295.426 -105.101 -175.486 -105.101 253.739 GPRESSURE: 3176600 2.63387 70.9301 -110.22 127.332 320.971 -170.399 -136.059 -141.285 270.314 PRESSAVG: 3176600 -1.8596 3.16751 -19.0387 3.16747 21.9271 -77.3138 -19.0389 -77.3139 10.1891 GPRESSAVG: 3176600 -1.49819 2.18299 -20.0756 3.14303 20.7105 -77.7242 -17.0155 -76.7861 10.8587 TIMING: 3176600 CPU: 10100, 0.00312292/step Wall: 10100, 0.00312292/step, 1.58176 hours remaining, 233.765625 MB of memory in use. ENERGY: 3176600 4029.3538 20522.5609 14500.8824 266.6110 -203313.7464 2483.0932 0.0000 0.0000 52117.3042 -109393.9409 299.5189 -161511.2451 -109030.8432 299.7785 172.2663 197.9730 761570.8451 10.0855 10.0237 PRESSURE: 3176800 98.5817 151.903 52.1913 151.904 -13.4439 -94.4935 52.1917 -94.4935 329.626 GPRESSURE: 3176800 97.6463 26.3862 -9.08897 87.2073 95.8658 -63.5126 20.4675 -138.895 301.762 PRESSAVG: 3176800 -70.8853 -44.079 6.24431 -44.079 60.8987 -23.818 6.24428 -23.818 16.6683 GPRESSAVG: 3176800 -72.0384 -44.9757 7.87647 -44.7852 62.3439 -24.0826 4.7527 -23.254 15.7654 TIMING: 3176800 CPU: 10100.7, 0.00313515/step Wall: 10100.7, 0.00313515/step, 1.58778 hours remaining, 233.765625 MB of memory in use. ENERGY: 3176800 3962.6744 20569.4744 14468.0185 244.7530 -203168.4094 2470.3323 0.0000 0.0000 52282.2196 -109170.9373 300.4666 -161453.1569 -108796.8533 299.8555 138.2545 165.0915 759662.0898 2.2272 2.0236 PRESSURE: 3177000 338.769 0.76762 173.917 0.767265 474.537 -315.828 173.917 -315.828 332.625 GPRESSURE: 3177000 441.284 77.9782 276.92 -21.5728 464.376 -258.247 -20.2326 -360.439 355.424 PRESSAVG: 3177000 -12.1316 -12.7062 37.7349 -12.7062 2.66811 -28.5294 37.7349 -28.5294 -19.1264 GPRESSAVG: 3177000 -11.1484 -13.0708 37.6548 -12.384 1.4913 -28.1488 37.1604 -30.1863 -18.9278 TIMING: 3177000 CPU: 10101.3, 0.0031238/step Wall: 10101.3, 0.0031238/step, 1.58186 hours remaining, 233.765625 MB of memory in use. ENERGY: 3177000 3971.5064 20510.0873 14483.4171 234.3079 -203542.5720 2913.6093 0.0000 0.0000 52417.4936 -109012.1504 301.2441 -161429.6441 -108655.6194 300.3942 381.9770 420.3610 761382.6153 -9.5300 -9.5283 PRESSURE: 3177200 244.581 353.336 -79.0881 353.337 -50.642 2.25178 -79.0873 2.25153 60.9571 GPRESSURE: 3177200 348.782 301.39 -153.716 300.398 90.4844 -15.0951 -86.2688 -94.4136 -75.126 PRESSAVG: 3177200 -13.8214 -30.367 -5.05557 -30.367 27.5658 25.4962 -5.05552 25.4961 -31.4862 GPRESSAVG: 3177200 -13.7774 -30.5076 -5.28232 -30.9685 27.3694 24.0035 -5.29918 30.3777 -31.1235 TIMING: 3177200 CPU: 10101.9, 0.00313387/step Wall: 10101.9, 0.00313387/step, 1.58678 hours remaining, 233.765625 MB of memory in use. ENERGY: 3177200 4075.1217 20513.5638 14379.4841 259.0688 -203169.6561 2548.3586 0.0000 0.0000 52274.9148 -109119.1442 300.4247 -161394.0590 -108757.5027 300.2026 84.9654 121.3802 760566.1659 -5.9140 -5.8439 PRESSURE: 3177400 -42.0922 179.889 -72.664 179.889 -69.3936 48.7221 -72.6654 48.7221 213.59 GPRESSURE: 3177400 -16.4495 160.928 -33.7227 229.771 -40.7006 36.0974 -176.959 13.7665 238.773 PRESSAVG: 3177400 -7.52445 4.69263 -19.0421 4.69265 29.9445 35.1987 -19.0421 35.1987 33.6095 GPRESSAVG: 3177400 -9.09121 6.02879 -18.2992 5.86367 32.362 36.3437 -19.3786 31.5165 32.9011 TIMING: 3177400 CPU: 10102.5, 0.00312334/step Wall: 10102.5, 0.00312334/step, 1.58128 hours remaining, 233.765625 MB of memory in use. ENERGY: 3177400 4028.7980 20720.0310 14443.9059 249.8227 -203183.1313 2419.5519 0.0000 0.0000 52196.6357 -109124.3860 299.9748 -161321.0217 -108754.1927 300.4449 34.0346 60.5411 764074.0530 18.6765 18.7240 PRESSURE: 3177600 -152.28 -72.0029 70.2694 -72.0023 -338.753 79.7673 70.2694 79.7665 -260.006 GPRESSURE: 3177600 -123.177 -47.4031 73.6198 -75.177 -311.743 153.379 21.4059 -21.0202 -217.067 PRESSAVG: 3177600 6.96208 -10.8271 47.6329 -10.8271 -24.2614 5.3975 47.6329 5.39747 -11.5628 GPRESSAVG: 3177600 7.84267 -11.1609 44.7986 -12.0379 -26.6008 4.58419 49.2738 5.68172 -10.5259 TIMING: 3177600 CPU: 10103.2, 0.00311761/step Wall: 10103.2, 0.00311761/step, 1.5782 hours remaining, 233.765625 MB of memory in use. ENERGY: 3177600 4088.6914 20543.6815 14520.9417 248.8639 -203125.5414 2493.4368 0.0000 0.0000 52194.5272 -109035.3989 299.9627 -161229.9261 -108676.7746 299.8817 -250.3466 -217.3289 764663.2924 -9.6207 -9.7614 PRESSURE: 3177800 -143.916 54.4519 -42.0978 54.4524 -316.01 -130.326 -42.0974 -130.326 98.3824 GPRESSURE: 3177800 -72.1203 85.6274 -28.0023 -45.8555 -288.511 -124.251 -3.25965 -35.5242 55.9246 PRESSAVG: 3177800 -24.0752 -64.0327 21.6237 -64.0327 -38.9445 -9.84218 21.6237 -9.84221 2.29769 GPRESSAVG: 3177800 -23.3843 -63.6872 22.8198 -64.5635 -38.9245 -9.69242 22.7952 -7.98221 1.47627 TIMING: 3177800 CPU: 10103.8, 0.00310999/step Wall: 10103.8, 0.00310999/step, 1.57418 hours remaining, 233.765625 MB of memory in use. ENERGY: 3177800 4032.0658 20671.9739 14516.2982 255.2205 -203004.5613 2276.0538 0.0000 0.0000 52172.6114 -109080.3377 299.8367 -161252.9491 -108718.2234 299.9016 -120.5145 -101.5691 762617.3900 -20.2407 -20.2775 PRESSURE: 3178000 36.6501 1.37757 147.402 1.37759 -193.034 -52.3016 147.402 -52.3006 -203.845 GPRESSURE: 3178000 76.7659 -20.2523 156.571 110.918 -109.97 -80.9775 71.4002 -117.733 -228.343 PRESSAVG: 3178000 -25.2836 -19.5558 31.0634 -19.5557 -26.6174 -44.3915 31.0634 -44.3915 10.1113 GPRESSAVG: 3178000 -26.0283 -17.947 31.0772 -18.6089 -25.0058 -44.1717 29.1059 -47.6388 9.65532 TIMING: 3178000 CPU: 10104.4, 0.00310722/step Wall: 10104.4, 0.00310722/step, 1.5726 hours remaining, 233.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3178000 4013.3314 20483.7444 14528.2771 251.0325 -203390.1078 2597.4193 0.0000 0.0000 52472.8854 -109043.4178 301.5624 -161516.3032 -108676.7273 300.4882 -120.0766 -87.1822 761801.7865 -13.9299 -13.7929 PRESSURE: 3178200 -130.503 -78.3915 65.6261 -78.391 65.9422 2.09943 65.6259 2.10023 -175.494 GPRESSURE: 3178200 -59.8472 -34.5518 -50.0871 -41.5581 27.8305 146.651 112.336 -43.0049 -152.317 PRESSAVG: 3178200 -42.7561 -44.1174 18.1539 -44.1173 45.834 -64.7222 18.1539 -64.7222 20.0505 GPRESSAVG: 3178200 -42.2259 -44.1835 18.0127 -44.2683 44.8474 -62.3757 17.2253 -62.3213 20.5757 TIMING: 3178200 CPU: 10105, 0.00310675/step Wall: 10105, 0.00310675/step, 1.57219 hours remaining, 233.765625 MB of memory in use. ENERGY: 3178200 3962.5375 20527.3196 14540.7950 233.7450 -203362.5258 2697.7694 0.0000 0.0000 52258.7939 -109141.5652 300.3320 -161400.3591 -108769.2054 300.2851 -80.0181 -61.4444 761474.3935 7.7095 7.7324 PRESSURE: 3178400 17.7051 129.8 -215.707 129.8 200.903 144.899 -215.708 144.899 360.469 GPRESSURE: 3178400 139.629 38.6327 -314.101 126.973 244.232 218.205 -110.691 63.6721 289.742 PRESSAVG: 3178400 24.5535 -31.3134 -13.2336 -31.3134 -28.2658 21.2446 -13.2337 21.2445 -23.4327 GPRESSAVG: 3178400 23.5477 -36.0792 -11.7404 -28.9567 -26.8727 19.4724 -12.9003 18.9134 -23.5937 TIMING: 3178400 CPU: 10105.7, 0.00312664/step Wall: 10105.7, 0.00312664/step, 1.58208 hours remaining, 233.765625 MB of memory in use. ENERGY: 3178400 3925.7583 20442.5866 14513.9110 242.5351 -203145.3277 2467.2451 0.0000 0.0000 52316.8169 -109236.4746 300.6655 -161553.2915 -108876.0386 300.4030 193.0260 224.5343 762368.9626 -9.0483 -8.9729 PRESSURE: 3178600 -15.0287 -5.17171 0.320905 -5.17212 -0.345378 75.0739 0.320885 75.0744 -385.513 GPRESSURE: 3178600 74.3727 50.3401 46.8515 0.26388 30.507 65.8414 -17.7907 18.1175 -410.301 PRESSAVG: 3178600 -32.8668 -25.2215 27.3927 -25.2215 62.6523 -25.2426 27.3927 -25.2426 24.5398 GPRESSAVG: 3178600 -31.9432 -23.4856 27.7726 -27.4943 61.7057 -24.1504 27.1784 -22.9609 24.9705 TIMING: 3178600 CPU: 10106.3, 0.00311959/step Wall: 10106.3, 0.00311959/step, 1.57834 hours remaining, 233.765625 MB of memory in use. ENERGY: 3178600 3978.3453 20537.3806 14447.7073 255.0981 -202674.1421 2098.4728 0.0000 0.0000 52165.2955 -109191.8425 299.7947 -161357.1380 -108826.0506 299.9804 -133.6291 -101.8071 761628.8318 18.1084 18.2444 PRESSURE: 3178800 194.371 -16.8732 183.674 -16.8724 -236.532 89.5933 183.674 89.5936 151.959 GPRESSURE: 3178800 332.66 -187.238 199.056 32.7639 -198.626 69.3257 42.8422 156.614 69.6679 PRESSAVG: 3178800 13.5441 -45.4442 -2.24485 -45.4442 4.53651 4.3222 -2.24473 4.32223 -1.79306 GPRESSAVG: 3178800 13.9343 -45.4018 -4.23166 -44.251 5.20257 3.35048 -0.197469 3.70088 -2.38495 TIMING: 3178800 CPU: 10106.9, 0.00312052/step Wall: 10106.9, 0.00312052/step, 1.57864 hours remaining, 233.765625 MB of memory in use. ENERGY: 3178800 3961.4663 20458.5295 14432.5015 237.9834 -203333.2038 2569.2808 0.0000 0.0000 52231.0735 -109442.3688 300.1727 -161673.4423 -109080.7474 299.7833 36.5996 67.9006 761092.0152 5.4292 5.5840 PRESSURE: 3179000 141.573 -105.836 251.458 -105.836 18.4892 103.037 251.458 103.037 -14.4272 GPRESSURE: 3179000 89.0702 -138.179 234.019 27.1619 124.12 28.3154 287.252 -64.5423 7.33164 PRESSAVG: 3179000 16.1622 -76.0456 12.0817 -76.0456 -20.8178 4.13971 12.0817 4.13973 2.02828 GPRESSAVG: 3179000 14.9735 -77.7823 14.1073 -75.4816 -21.3498 3.46926 9.12649 3.77383 3.42004 TIMING: 3179000 CPU: 10107.5, 0.00312772/step Wall: 10107.5, 0.00312772/step, 1.5821 hours remaining, 233.765625 MB of memory in use. ENERGY: 3179000 4003.1016 20528.6998 14433.5543 261.1922 -202972.0491 2343.8103 0.0000 0.0000 51854.2994 -109547.3916 298.0074 -161401.6909 -109197.9993 298.7936 48.5449 73.5071 761180.8429 -0.8758 -0.9854 PRESSURE: 3179200 -125.479 -139.209 42.4774 -139.21 -30.7195 173.549 42.4772 173.548 1.47928 GPRESSURE: 3179200 -42.8337 -86.0733 64.4925 -101.216 -8.66976 181.48 28.5602 69.8519 -20.815 PRESSAVG: 3179200 -41.8756 0.665047 43.3399 0.665067 48.0844 11.7206 43.3399 11.7206 -14.5985 GPRESSAVG: 3179200 -43.2004 2.97168 43.1494 0.250811 49.0971 13.3654 44.4301 10.6093 -13.8404 TIMING: 3179200 CPU: 10108.1, 0.00310843/step Wall: 10108.1, 0.00310843/step, 1.57218 hours remaining, 233.765625 MB of memory in use. ENERGY: 3179200 4029.5182 20533.3057 14462.2383 265.7320 -202996.0145 2186.2713 0.0000 0.0000 52070.2213 -109448.7276 299.2483 -161518.9489 -109090.7267 298.6590 -51.5731 -24.1061 761177.7995 -2.7966 -2.6479 PRESSURE: 3179400 -136.132 -120.669 -122.353 -120.67 11.2562 -169.811 -122.353 -169.811 131.071 GPRESSURE: 3179400 -31.9203 -92.2289 -156.432 -34.9594 -65.9803 -34.1371 -133.629 -101.41 181.538 PRESSAVG: 3179400 -25.3974 8.91579 8.33286 8.91582 32.3352 -22.5269 8.33286 -22.5269 -9.76279 GPRESSAVG: 3179400 -24.254 7.74149 7.17821 8.95088 31.5962 -20.5019 7.75759 -21.0454 -10.2912 TIMING: 3179400 CPU: 10108.8, 0.00309184/step Wall: 10108.8, 0.00309184/step, 1.56361 hours remaining, 233.765625 MB of memory in use. ENERGY: 3179400 3992.2285 20639.1805 14451.0543 228.0867 -202999.9554 2518.6729 0.0000 0.0000 51654.1197 -109516.6128 296.8569 -161170.7325 -109166.3073 299.3430 2.0652 27.8793 762241.7078 -0.9417 -0.9830 PRESSURE: 3179600 283.983 102.88 -41.7761 102.88 -371.709 151.624 -41.7767 151.623 -48.7961 GPRESSURE: 3179600 236.021 123.51 -174.881 -12.4785 -249.597 138.852 -18.4079 154.059 -4.95213 PRESSAVG: 3179600 45.5558 -18.6816 -2.80552 -18.6816 -6.93854 -0.323554 -2.80548 -0.32362 -17.6269 GPRESSAVG: 3179600 45.9654 -18.7677 -1.87669 -17.0877 -7.05169 -3.65866 -1.53104 0.0643882 -17.8984 TIMING: 3179600 CPU: 10109.4, 0.00311222/step Wall: 10109.4, 0.00311222/step, 1.57375 hours remaining, 233.765625 MB of memory in use. ENERGY: 3179600 4039.6746 20398.5029 14438.2688 240.9405 -203186.9923 2422.7982 0.0000 0.0000 52111.0061 -109535.8012 299.4827 -161646.8073 -109172.6041 299.0154 -45.5074 -6.1758 760717.5184 6.9968 7.0051 PRESSURE: 3179800 -92.7427 31.2368 3.32602 31.236 252.511 52.9326 3.32604 52.9318 -140.608 GPRESSURE: 3179800 -75.615 29.3372 -40.4082 -49.194 294.488 84.9433 -8.47189 79.7196 -114.191 PRESSAVG: 3179800 19.7568 -56.3463 -13.7128 -56.3463 2.28283 29.1888 -13.7129 29.1888 11.9542 GPRESSAVG: 3179800 19.2811 -56.773 -14.8063 -58.9214 2.76163 30.382 -14.2718 29.988 12.3302 TIMING: 3179800 CPU: 10110, 0.00312812/step Wall: 10110, 0.00312812/step, 1.58161 hours remaining, 233.765625 MB of memory in use. ENERGY: 3179800 4088.1270 20391.1080 14486.1216 247.2525 -203119.1059 2451.9669 0.0000 0.0000 51994.0490 -109460.4809 298.8105 -161454.5300 -109098.5341 299.4541 6.3869 34.8941 760520.8702 11.3313 11.4576 PRESSURE: 3180000 254.809 -150.242 40.1498 -150.241 380.423 -10.7176 40.1502 -10.7168 652.73 GPRESSURE: 3180000 331.425 -147.839 60.9438 -28.6901 376.452 -50.689 62.7123 31.1632 654.308 PRESSAVG: 3180000 -66.4288 -66.5326 38.2016 -66.5327 19.5695 3.62135 38.2017 3.62136 -4.32789 GPRESSAVG: 3180000 -65.9394 -65.2062 36.8115 -68.2915 20.3524 2.69402 38.8286 3.57791 -5.24563 TIMING: 3180000 CPU: 10110.6, 0.00313503/step Wall: 10110.6, 0.00313503/step, 1.58493 hours remaining, 233.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3180000 3927.3257 20504.4807 14474.2228 274.4676 -203385.6383 2581.7005 0.0000 0.0000 52352.8564 -109270.5846 300.8726 -161623.4410 -108904.7267 299.2557 429.3206 454.0615 760579.4199 -17.0624 -16.9442 PRESSURE: 3180200 -80.1346 -93.9569 60.7103 -93.9568 -14.7284 176.827 60.7094 176.826 355.115 GPRESSURE: 3180200 -7.11837 -66.7673 56.7377 -51.768 -36.3076 185.708 -62.3406 209.909 379.449 PRESSAVG: 3180200 -16.5491 -29.1407 28.9815 -29.1408 67.9961 19.0581 28.9816 19.0581 -26.5959 GPRESSAVG: 3180200 -16.3585 -28.5925 30.9395 -28.3059 66.3785 18.7279 29.2096 18.0716 -25.1488 TIMING: 3180200 CPU: 10111.3, 0.00313257/step Wall: 10111.3, 0.00313257/step, 1.58351 hours remaining, 233.765625 MB of memory in use. ENERGY: 3180200 3937.0257 20497.7306 14337.4375 262.7865 -203135.1506 2622.4802 0.0000 0.0000 52376.1409 -109101.5490 301.0064 -161477.6900 -108737.4030 299.8967 86.7507 112.0076 762677.2583 8.2837 8.2904 LDB: ============= START OF LOAD BALANCING ============== 10123.7 LDB: ============== END OF LOAD BALANCING =============== 10123.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10123.7 LDB: ============= START OF LOAD BALANCING ============== 10124 LDB: Largest compute 7058 load 0.032014 is 16.4% of average load 0.195538 LDB: Average compute 0.004399 is 2.2% of average load 0.195538 LDB: TIME 10124 LOAD: AVG 0.195538 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 10124 LOAD: AVG 0.195538 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: TIME 10124 LOAD: AVG 0.195538 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: ============== END OF LOAD BALANCING =============== 10124 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10124 PRESSURE: 3180400 -96.1686 -178.444 -188.234 -178.444 -314.455 -259.724 -188.234 -259.724 -290.747 GPRESSURE: 3180400 -82.1064 -239.314 -247.759 -237.107 -279.195 -368.732 -97.4163 -206.374 -255.417 PRESSAVG: 3180400 -43.9061 -91.7842 44.8392 -91.7842 7.14434 -24.3855 44.8392 -24.3854 8.4317 GPRESSAVG: 3180400 -44.4692 -91.3822 45.6514 -90.4231 9.04294 -22.3095 43.9763 -23.2659 7.81318 TIMING: 3180400 CPU: 10111.9, 0.00320237/step Wall: 10111.9, 0.00320237/step, 1.61862 hours remaining, 235.414062 MB of memory in use. ENERGY: 3180400 4013.4914 20470.1940 14400.3426 270.9827 -202971.9258 2517.4037 0.0000 0.0000 52196.5082 -109103.0030 299.9741 -161299.5113 -108748.6692 299.6534 -233.7903 -205.5730 763720.9526 -9.4433 -9.2044 PRESSURE: 3180600 3.55236 41.1579 -12.381 41.1587 -7.76686 135.721 -12.3804 135.721 -18.193 GPRESSURE: 3180600 124.215 42.9723 35.8683 82.8132 45.7705 79.8083 -17.9345 179.909 -114.979 PRESSAVG: 3180600 -3.85411 -31.243 41.2375 -31.2429 39.6617 -40.9925 41.2376 -40.9924 -19.8943 GPRESSAVG: 3180600 -2.98023 -32.5981 39.0206 -32.0348 38.9248 -40.486 42.4295 -43.0835 -19.6457 TIMING: 3180600 CPU: 10112.5, 0.00313183/step Wall: 10112.5, 0.00313183/step, 1.58279 hours remaining, 235.613281 MB of memory in use. ENERGY: 3180600 3880.7888 20504.1951 14403.1876 248.2969 -203013.5630 2496.7909 0.0000 0.0000 52131.7233 -109348.5804 299.6017 -161480.3037 -108982.9998 299.5272 -7.4692 18.3355 761439.9271 5.3044 5.4330 PRESSURE: 3180800 -259.729 -81.1023 133.28 -81.1014 -11.3055 -244.404 133.28 -244.404 -43.0768 GPRESSURE: 3180800 -268.37 -93.8408 149.456 -106.89 23.4951 -246.363 -62.8227 -258.436 -8.25802 PRESSAVG: 3180800 -10.1054 -26.6127 39.0008 -26.6127 21.8961 -57.3116 39.0008 -57.3117 15.7316 GPRESSAVG: 3180800 -8.21631 -24.2831 40.8056 -25.9281 21.3429 -59.1577 37.7581 -56.6841 14.119 TIMING: 3180800 CPU: 10113.2, 0.00314394/step Wall: 10113.2, 0.00314394/step, 1.58874 hours remaining, 235.613281 MB of memory in use. ENERGY: 3180800 4013.9821 20415.4608 14437.8514 263.9173 -202864.5010 2319.5317 0.0000 0.0000 52016.3440 -109397.4136 298.9386 -161413.7576 -109033.9389 299.2360 -104.7039 -84.3776 762140.5357 9.1741 9.0819 PRESSURE: 3181000 229.09 -202.079 -95.4635 -202.079 201.46 -24.9618 -95.4643 -24.9613 292.338 GPRESSURE: 3181000 239.105 -292.957 -123.093 -262.186 340.034 -14.8431 52.0634 14.5996 229.512 PRESSAVG: 3181000 -54.7158 -14.103 39.6711 -14.103 6.58979 -38.0583 39.6711 -38.0583 -0.0577086 GPRESSAVG: 3181000 -56.0775 -15.9171 39.8898 -15.5836 6.34067 -39.4387 41.6792 -38.109 1.7797 TIMING: 3181000 CPU: 10113.8, 0.00313281/step Wall: 10113.8, 0.00313281/step, 1.58294 hours remaining, 235.613281 MB of memory in use. ENERGY: 3181000 3914.7962 20438.3111 14482.7341 232.4523 -203171.0418 2743.5560 0.0000 0.0000 52079.1928 -109279.9992 299.2998 -161359.1920 -108926.3672 299.2970 240.9629 269.5501 761076.7869 -16.0612 -15.9857 PRESSURE: 3181200 -172.493 -125.158 63.3855 -125.158 105.89 -353.978 63.3845 -353.979 45.7613 GPRESSURE: 3181200 -110.807 -38.8297 81.7459 -42.3861 150.167 -272.318 -76.4977 -440.905 28.6854 PRESSAVG: 3181200 -10.9439 9.34749 32.2401 9.34749 -4.66812 -27.1458 32.2401 -27.1459 -9.05904 GPRESSAVG: 3181200 -11.2443 8.31587 30.1298 10.0143 -3.14751 -25.2886 31.6649 -27.2998 -10.5135 TIMING: 3181200 CPU: 10114.4, 0.00314335/step Wall: 10114.4, 0.00314335/step, 1.58809 hours remaining, 235.613281 MB of memory in use. ENERGY: 3181200 3982.8690 20446.1082 14551.7052 244.2938 -203481.2627 2884.3348 0.0000 0.0000 51972.7969 -109399.1549 298.6884 -161371.9518 -109045.5674 299.1375 -6.9471 22.6819 760873.3664 -8.2237 -8.3018 PRESSURE: 3181400 264.562 -143.78 71.2943 -143.78 -24.7539 24.7759 71.2947 24.7745 398.577 GPRESSURE: 3181400 293.932 -227.89 135.141 -68.2849 43.3117 25.6903 -73.2838 -20.2096 379.112 PRESSAVG: 3181400 -8.89307 -6.49339 -8.947 -6.4934 43.3639 -21.7024 -8.94694 -21.7024 16.2117 GPRESSAVG: 3181400 -6.58109 -7.34963 -8.10451 -5.15811 41.4607 -20.2391 -9.5354 -21.6197 16.2303 TIMING: 3181400 CPU: 10115.1, 0.00315693/step Wall: 10115.1, 0.00315693/step, 1.59478 hours remaining, 235.613281 MB of memory in use. ENERGY: 3181400 3948.0413 20427.3712 14536.7199 257.5568 -203311.8059 2910.4901 0.0000 0.0000 52088.2558 -109143.3707 299.3519 -161231.6266 -108779.4150 299.3643 212.7949 238.7851 761478.8814 16.8942 17.0366 PRESSURE: 3181600 -175.918 -79.9363 -110.773 -79.936 -78.2884 -237.026 -110.774 -237.026 -26.7725 GPRESSURE: 3181600 -197.812 -63.449 -0.0105071 -157.614 42.1939 -237.003 -104.037 -224.939 -37.2365 PRESSAVG: 3181600 -25.1883 -68.0807 -60.3141 -68.0807 1.55882 -11.8761 -60.3141 -11.8761 4.50089 GPRESSAVG: 3181600 -26.9506 -66.0491 -59.0471 -71.7318 3.47994 -13.6447 -60.9197 -10.3192 4.38404 TIMING: 3181600 CPU: 10115.7, 0.00315427/step Wall: 10115.7, 0.00315427/step, 1.59325 hours remaining, 235.613281 MB of memory in use. ENERGY: 3181600 3989.8734 20429.7496 14439.9632 254.0296 -203037.8442 2663.2567 0.0000 0.0000 52129.8003 -109131.1713 299.5907 -161260.9717 -108771.2515 300.0880 -93.6595 -64.2849 762151.2391 -6.3762 -6.3622 PRESSURE: 3181800 -382.061 -43.0089 -122.467 -43.0084 -72.2175 133.787 -122.468 133.786 394.703 GPRESSURE: 3181800 -345.401 -26.9425 -17.9697 -55.3169 -2.2386 86.3472 -247.704 48.4786 385.53 PRESSAVG: 3181800 4.19829 -76.1412 13.4396 -76.1412 15.0591 -14.3092 13.4396 -14.3092 -19.5392 GPRESSAVG: 3181800 4.63921 -77.4812 12.9122 -72.5889 14.282 -13.2383 13.3527 -16.9758 -18.8079 TIMING: 3181800 CPU: 10116.3, 0.00312909/step Wall: 10116.3, 0.00312909/step, 1.58037 hours remaining, 235.613281 MB of memory in use. ENERGY: 3181800 3952.6960 20527.2570 14442.0759 253.1317 -202923.5215 2359.0033 0.0000 0.0000 52076.1547 -109313.2029 299.2824 -161389.3576 -108947.7505 299.4904 -19.8586 12.6300 762129.7040 -0.0939 0.0378 PRESSURE: 3182000 -387.705 -45.9599 177.085 -45.9608 42.8909 67.3208 177.085 67.3202 -59.1711 GPRESSURE: 3182000 -297.82 -40.3756 290.992 -47.5547 32.2547 147.693 -18.4749 107.125 -61.4911 PRESSAVG: 3182000 19.3973 9.70756 9.2586 9.70751 -13.8989 -0.477136 9.25856 -0.477167 -19.2653 GPRESSAVG: 3182000 19.8445 11.4699 9.48915 8.62313 -13.7993 -1.46088 10.1928 0.31838 -19.7058 TIMING: 3182000 CPU: 10116.9, 0.00310203/step Wall: 10116.9, 0.00310203/step, 1.56653 hours remaining, 235.613281 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: 3182000 3952.5087 20696.3442 14476.4826 257.2052 -203464.2057 2569.2847 0.0000 0.0000 52081.8412 -109430.5391 299.3151 -161512.3803 -109062.0358 299.1253 -134.6619 -109.0189 760743.0023 -4.5890 -4.5535 PRESSURE: 3182200 -295.645 -81.4215 105.851 -81.4212 66.4801 -292.581 105.852 -292.58 -109.73 GPRESSURE: 3182200 -155.402 -44.1835 7.70477 -58.546 -18.9548 -329.623 78.3994 -307.107 -98.1633 PRESSAVG: 3182200 -23.6214 -67.5746 33.574 -67.5747 -26.83 3.68313 33.5741 3.68323 34.2254 GPRESSAVG: 3182200 -23.6917 -68.1037 31.6916 -67.8257 -25.5475 3.69114 33.2337 5.37833 33.7568 TIMING: 3182200 CPU: 10117.6, 0.00311855/step Wall: 10117.6, 0.00311855/step, 1.5747 hours remaining, 235.613281 MB of memory in use. ENERGY: 3182200 3911.1203 20493.0034 14495.1158 249.3565 -203271.8322 2587.7064 0.0000 0.0000 52073.8745 -109461.6553 299.2693 -161535.5298 -109102.7135 299.1292 -112.9651 -90.8400 761439.9670 -5.4087 -5.1608 PRESSURE: 3182400 220.965 -66.5493 0.356686 -66.5492 155.968 54.9182 0.356934 54.9189 481.197 GPRESSURE: 3182400 228.034 -42.1607 59.208 -48.8062 285.334 72.893 -25.1233 34.2671 437.067 PRESSAVG: 3182400 -37.7264 -97.249 -5.31859 -97.249 26.6722 -21.3359 -5.31866 -21.3359 -31.6433 GPRESSAVG: 3182400 -38.1111 -97.5515 -3.27015 -96.0972 25.613 -21.6004 -7.78739 -22.8712 -30.2087 TIMING: 3182400 CPU: 10118.2, 0.00311758/step Wall: 10118.2, 0.00311758/step, 1.57403 hours remaining, 235.613281 MB of memory in use. ENERGY: 3182400 3999.5746 20436.5979 14509.4334 256.2195 -203681.6661 3056.0827 0.0000 0.0000 52161.6971 -109262.0611 299.7740 -161423.7581 -108890.2535 299.5929 286.0434 316.8119 760396.2447 -14.2325 -14.2356 PRESSURE: 3182600 -99.2364 110.451 16.4911 110.452 -226.328 -95.5918 16.4914 -95.5922 -96.7358 GPRESSURE: 3182600 -47.5919 78.037 61.4148 -11.8281 -216.633 -61.9441 -58.5047 -131.394 -68.7794 PRESSAVG: 3182600 -5.7973 -53.5167 29.256 -53.5167 17.0318 19.7877 29.2561 19.7878 19.7132 GPRESSAVG: 3182600 -6.2483 -53.1517 29.0256 -52.5011 17.5288 19.4065 31.5843 20.5443 19.4203 TIMING: 3182600 CPU: 10118.8, 0.00312216/step Wall: 10118.8, 0.00312216/step, 1.57617 hours remaining, 235.613281 MB of memory in use. ENERGY: 3182600 3974.7256 20536.5525 14582.4157 266.0041 -203315.4673 2482.2342 0.0000 0.0000 52129.4259 -109344.1094 299.5885 -161473.5353 -108975.7837 299.7792 -140.7667 -111.0014 761525.1256 10.3159 10.2336 PRESSURE: 3182800 -227.432 -196.255 236.276 -196.254 130.929 -34.4891 236.275 -34.4891 195.45 GPRESSURE: 3182800 -108.869 -190.106 316.11 -206.778 88.9158 -6.15242 84.0364 -31.9544 196.097 PRESSAVG: 3182800 1.83287 -33.5155 -0.942962 -33.5155 -3.62466 -33.3076 -0.94294 -33.3076 15.5286 GPRESSAVG: 3182800 2.34821 -33.8131 -1.14897 -32.863 -1.9655 -32.8066 -2.08336 -32.0942 12.9585 TIMING: 3182800 CPU: 10119.4, 0.00311665/step Wall: 10119.4, 0.00311665/step, 1.57321 hours remaining, 235.613281 MB of memory in use. ENERGY: 3182800 3861.8168 20440.9610 14529.5082 255.4516 -203184.9235 2744.2295 0.0000 0.0000 51995.2003 -109357.7561 298.8171 -161352.9563 -108998.5570 299.8847 32.9820 58.7147 762662.0673 4.5789 4.4471 PRESSURE: 3183000 220.65 104.41 -43.1305 104.411 -186.956 -23.6929 -43.1293 -23.6933 511.002 GPRESSURE: 3183000 329.858 216.545 -14.1615 41.3169 -147.041 65.3104 15.7596 -78.759 444.655 PRESSAVG: 3183000 25.4186 -47.5894 0.859006 -47.5894 27.6405 -37.874 0.85903 -37.874 -1.83104 GPRESSAVG: 3183000 26.4468 -48.8159 0.681656 -50.6848 24.675 -36.8723 3.04896 -38.0637 -0.201225 TIMING: 3183000 CPU: 10120, 0.00310871/step Wall: 10120, 0.00310871/step, 1.56904 hours remaining, 235.613281 MB of memory in use. ENERGY: 3183000 3897.3920 20505.7174 14457.8280 229.4316 -202957.9355 2244.1926 0.0000 0.0000 52161.5786 -109461.7953 299.7733 -161623.3740 -109106.3963 299.1564 181.5652 209.1571 761781.5051 17.0760 16.9735 PRESSURE: 3183200 -65.118 -267.414 255.331 -267.415 -177.524 -18.5712 255.331 -18.5713 -40.256 GPRESSURE: 3183200 -98.8714 -269.813 293.211 -157.352 -66.9078 -25.2703 92.6371 -35.3699 -31.2474 PRESSAVG: 3183200 -58.5352 -33.4418 31.5268 -33.4418 98.6428 -33.7945 31.5268 -33.7945 -22.1253 GPRESSAVG: 3183200 -59.9894 -33.1442 31.1904 -32.6229 100.402 -35.08 29.6409 -34.7452 -22.0027 TIMING: 3183200 CPU: 10120.7, 0.00314243/step Wall: 10120.7, 0.00314243/step, 1.58588 hours remaining, 235.613281 MB of memory in use. ENERGY: 3183200 4050.2632 20413.0874 14472.7076 251.8731 -203322.3439 2735.3654 0.0000 0.0000 52023.4195 -109375.6278 298.9793 -161399.0472 -109009.4537 299.2853 -94.2992 -65.6755 760600.4855 5.9941 6.1365 PRESSURE: 3183400 286.818 -106.901 -194.685 -106.902 341.61 91.3262 -194.685 91.3258 135.894 GPRESSURE: 3183400 313.041 -6.84539 -185.147 -86.9304 417.461 84.6188 -168.981 122.382 124.805 PRESSAVG: 3183400 29.8967 -32.5419 -8.81006 -32.5419 -11.4858 -15.2618 -8.81004 -15.2618 19.4401 GPRESSAVG: 3183400 29.5146 -30.1744 -7.16078 -32.7323 -11.0209 -14.1315 -9.19474 -13.2643 19.385 TIMING: 3183400 CPU: 10121.3, 0.003133/step Wall: 10121.3, 0.003133/step, 1.58094 hours remaining, 235.613281 MB of memory in use. ENERGY: 3183400 3906.6499 20355.9881 14440.1678 242.2961 -202829.7374 2509.8566 0.0000 0.0000 51956.0281 -109418.7508 298.5920 -161374.7789 -109052.2372 299.3138 254.7741 285.1021 762303.3443 12.6170 12.6262 PRESSURE: 3183600 -141.877 52.2748 7.50836 52.2742 -241.523 -316.944 7.50799 -316.945 106.408 GPRESSURE: 3183600 -144.335 39.5627 143.404 -109.1 -155.692 -322.32 5.61791 -141.176 93.1952 PRESSAVG: 3183600 -14.4069 -26.7384 0.831325 -26.7384 32.799 5.62313 0.831376 5.62309 4.96943 GPRESSAVG: 3183600 -13.7012 -28.2037 -0.5801 -25.5909 32.5104 5.91823 1.76039 6.42186 4.50515 TIMING: 3183600 CPU: 10121.9, 0.00313845/step Wall: 10121.9, 0.00313845/step, 1.58352 hours remaining, 235.613281 MB of memory in use. ENERGY: 3183600 4010.2607 20719.1966 14445.5707 218.1846 -203539.2515 2820.0991 0.0000 0.0000 52073.6114 -109252.3284 299.2678 -161325.9398 -108896.1357 299.3873 -92.3307 -68.9438 761772.9063 7.7872 7.7714 PRESSURE: 3183800 375.693 -108.507 -297.622 -108.506 -98.0276 174.962 -297.622 174.961 353.005 GPRESSURE: 3183800 391.999 -39.0334 -264.09 -162.453 -122.377 133.02 -414.547 123.78 427.777 PRESSAVG: 3183800 35.7212 -86.9416 29.1882 -86.9416 10.0554 -26.9563 29.1882 -26.9563 2.01138 GPRESSAVG: 3183800 36.0074 -85.9008 30.2316 -89.6752 8.12897 -27.8825 29.9504 -30.4265 3.07549 TIMING: 3183800 CPU: 10122.6, 0.0031413/step Wall: 10122.6, 0.0031413/step, 1.58478 hours remaining, 235.613281 MB of memory in use. ENERGY: 3183800 4023.6545 20564.8365 14443.9492 238.5325 -203509.7773 2912.3366 0.0000 0.0000 52022.0425 -109304.4255 298.9714 -161326.4680 -108948.5555 299.7913 210.2234 232.4665 761066.1053 15.9293 15.7373 PRESSURE: 3184000 69.1079 108.223 243.871 108.223 256.465 -41.0417 243.869 -41.0403 -121.169 GPRESSURE: 3184000 127.639 88.6338 252.909 97.9611 242.417 17.7328 214.755 -52.2178 -91.3932 PRESSAVG: 3184000 -16.6255 -35.6951 106.523 -35.6951 -34.0532 -2.27737 106.523 -2.27733 -12.3813 GPRESSAVG: 3184000 -16.042 -36.906 106.668 -35.2564 -33.2932 -1.25932 104.42 -2.02522 -14.0162 TIMING: 3184000 CPU: 10123.2, 0.00313303/step Wall: 10123.2, 0.00313303/step, 1.58044 hours remaining, 235.613281 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: 3184000 3975.1910 20430.6332 14496.4664 241.7523 -202884.4588 2395.7251 0.0000 0.0000 52019.2968 -109325.3940 298.9556 -161344.6908 -108971.9192 299.4088 68.1347 92.8874 762515.2851 -21.0200 -21.1172 PRESSURE: 3184200 253.894 -14.2138 87.3283 -14.2138 77.5074 -140.368 87.3281 -140.368 -131.35 GPRESSURE: 3184200 192.671 40.0699 101.027 -22.4975 187.224 -96.3951 -68.1781 -61.9359 -74.8403 PRESSAVG: 3184200 33.7279 -58.5081 51.0242 -58.5082 20.6547 -32.1207 51.0242 -32.1207 3.83999 GPRESSAVG: 3184200 33.0855 -58.8159 52.4679 -58.1401 20.7196 -33.3906 51.668 -31.2393 4.61227 TIMING: 3184200 CPU: 10123.8, 0.00314393/step Wall: 10123.8, 0.00314393/step, 1.58576 hours remaining, 235.613281 MB of memory in use. ENERGY: 3184200 4001.9278 20446.6438 14441.8726 234.8950 -202850.8976 2393.7830 0.0000 0.0000 51949.3030 -109382.4722 298.5534 -161331.7752 -109018.1342 299.4650 66.6840 101.6849 761539.6901 19.4075 19.4725 LDB: ============= START OF LOAD BALANCING ============== 10136.2 LDB: ============== END OF LOAD BALANCING =============== 10136.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10136.2 LDB: ============= START OF LOAD BALANCING ============== 10136.6 LDB: Largest compute 7058 load 0.030742 is 15.7% of average load 0.195625 LDB: Average compute 0.004376 is 2.2% of average load 0.195625 LDB: TIME 10136.6 LOAD: AVG 0.195625 MAX 0.215944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.508 MB LDB: TIME 10136.6 LOAD: AVG 0.195625 MAX 0.215944 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: TIME 10136.6 LOAD: AVG 0.195625 MAX 0.215944 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: ============== END OF LOAD BALANCING =============== 10136.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10136.6 PRESSURE: 3184400 138.52 -149.123 84.0345 -149.124 -316.358 104.771 84.0343 104.77 348.158 GPRESSURE: 3184400 153.379 -104.617 85.1618 -152.799 -217.82 90.9113 62.7649 106.397 319.871 PRESSAVG: 3184400 53.1857 -108.078 31.1591 -108.078 -80.1534 -20.9222 31.159 -20.9222 -6.73101 GPRESSAVG: 3184400 51.9142 -108.16 28.1487 -106.244 -78.5731 -19.9674 33.5093 -20.7238 -7.26865 TIMING: 3184400 CPU: 10124.5, 0.00322161/step Wall: 10124.5, 0.0032216/step, 1.62476 hours remaining, 233.929688 MB of memory in use. ENERGY: 3184400 4047.6306 20524.4194 14573.1981 245.2069 -203481.6774 2716.2905 0.0000 0.0000 52137.0653 -109237.8666 299.6324 -161374.9319 -108875.6017 299.8259 56.7734 85.1433 760048.8764 -11.2329 -11.3092 PRESSURE: 3184600 -17.9083 24.6352 48.8231 24.6355 51.4067 0.321899 48.824 0.321786 -226.274 GPRESSURE: 3184600 13.7078 68.762 185.732 18.4886 30.4018 10.4882 14.0351 154.979 -142.688 PRESSAVG: 3184600 60.7624 -47.6741 38.6855 -47.6741 -85.4277 59.2982 38.6856 59.2982 -16.0461 GPRESSAVG: 3184600 61.0688 -45.7304 39.9374 -49.613 -85.678 59.5663 37.1491 59.1259 -15.7873 TIMING: 3184600 CPU: 10125.1, 0.00314562/step Wall: 10125.1, 0.00314562/step, 1.58626 hours remaining, 233.929688 MB of memory in use. ENERGY: 3184600 4006.3517 20495.7020 14496.6019 257.3848 -202810.4189 2289.4045 0.0000 0.0000 52244.4154 -109020.5586 300.2494 -161264.9740 -108659.2744 299.7839 -64.2584 -32.8596 762414.1619 -13.5705 -13.4655 PRESSURE: 3184800 -184.645 48.2463 109.995 48.2462 -295.821 -132.486 109.994 -132.486 -56.0895 GPRESSURE: 3184800 -181.371 -71.7088 135.306 32.991 -259.008 -95.2445 7.46097 -129.182 6.83944 PRESSAVG: 3184800 57.7453 -48.7719 12.0529 -48.7719 -25.8851 42.2658 12.0529 42.2659 21.1937 GPRESSAVG: 3184800 57.0137 -50.5602 10.6658 -47.8084 -25.8531 42.2867 12.7406 43.7867 21.499 TIMING: 3184800 CPU: 10125.7, 0.00313657/step Wall: 10125.7, 0.00313657/step, 1.58153 hours remaining, 233.929688 MB of memory in use. ENERGY: 3184800 4006.4108 20404.8037 14444.4230 259.0215 -203182.4057 2301.4461 0.0000 0.0000 52386.8378 -109379.4629 301.0679 -161766.3007 -109012.4294 299.7717 -178.8518 -144.5135 761623.0617 17.6846 17.5532 PRESSURE: 3185000 96.4725 21.4669 111.771 21.4672 -170.204 -64.9453 111.77 -64.9457 275.331 GPRESSURE: 3185000 85.7966 -81.2761 12.468 45.3629 -61.9128 -84.8938 81.7666 68.8396 256.756 PRESSAVG: 3185000 -10.8072 -30.5363 101.75 -30.5363 10.3563 5.7658 101.75 5.76572 0.359109 GPRESSAVG: 3185000 -7.88459 -30.7626 101.108 -31.2482 8.53556 5.18315 101.916 4.45974 -0.81935 TIMING: 3185000 CPU: 10126.3, 0.00313524/step Wall: 10126.3, 0.00313524/step, 1.58068 hours remaining, 234.070312 MB of memory in use. ENERGY: 3185000 3978.9581 20495.0804 14492.6591 262.1407 -203500.6552 2890.6085 0.0000 0.0000 51969.6459 -109411.5625 298.6703 -161381.2084 -109056.5315 299.4810 67.1996 93.5464 760440.3028 -0.0306 -0.0561 PRESSURE: 3185200 19.1494 -31.9035 -55.3422 -31.9034 -344.611 -171.554 -55.3418 -171.555 -126.379 GPRESSURE: 3185200 78.0667 2.55609 -82.2278 -23.2173 -260.153 -191.859 36.3501 -165.97 -202.682 PRESSAVG: 3185200 -24.0147 -34.4629 16.0517 -34.463 37.7677 -35.234 16.0518 -35.234 16.7687 GPRESSAVG: 3185200 -24.855 -33.0629 16.431 -35.5582 37.8506 -36.455 14.2367 -34.0243 17.4081 TIMING: 3185200 CPU: 10127, 0.00312999/step Wall: 10127, 0.00312999/step, 1.57786 hours remaining, 234.472656 MB of memory in use. ENERGY: 3185200 4097.0227 20419.5661 14480.7357 273.6839 -203355.4897 2761.4454 0.0000 0.0000 52178.3912 -109144.6447 299.8699 -161323.0359 -108777.6183 299.7407 -150.6134 -128.2562 761403.8936 10.1739 10.1345 PRESSURE: 3185400 -105.294 -198.521 28.8474 -198.521 -1.51406 52.7725 28.8471 52.7723 -331.369 GPRESSURE: 3185400 -102.324 -153.835 58.9481 -285.438 -9.93151 -38.3381 -144.755 -9.70981 -258.517 PRESSAVG: 3185400 3.58485 -45.6318 4.8387 -45.6319 -11.2045 -11.4764 4.83868 -11.4763 -5.55022 GPRESSAVG: 3185400 3.48924 -46.4183 4.37342 -44.0924 -10.8017 -11.7597 8.78724 -13.1677 -5.68653 TIMING: 3185400 CPU: 10127.6, 0.00314683/step Wall: 10127.6, 0.00314683/step, 1.58618 hours remaining, 234.472656 MB of memory in use. ENERGY: 3185400 4119.4117 20492.1048 14425.1025 226.4641 -202874.2998 2408.5778 0.0000 0.0000 52176.2900 -109026.3488 299.8579 -161202.6388 -108667.6525 299.6498 -146.0589 -123.5907 762013.5430 -4.3899 -4.3330 PRESSURE: 3185600 -36.3542 -100.986 78.6101 -100.986 -112.297 192.301 78.6093 192.3 58.4075 GPRESSURE: 3185600 -40.5282 -51.6604 116.17 -175.508 -96.7871 225.007 105.074 290.586 147.41 PRESSAVG: 3185600 -45.5577 -23.6942 -18.9101 -23.6942 34.0153 4.1588 -18.9101 4.15876 20.0409 GPRESSAVG: 3185600 -46.6641 -22.7597 -18.4923 -24.5501 34.653 4.84343 -21.7286 1.7755 21.112 TIMING: 3185600 CPU: 10128.2, 0.0031897/step Wall: 10128.2, 0.0031897/step, 1.60761 hours remaining, 234.472656 MB of memory in use. ENERGY: 3185600 3996.8178 20382.2831 14568.8194 257.7975 -203019.5137 2534.6595 0.0000 0.0000 52053.7978 -109225.3388 299.1539 -161279.1365 -108860.3518 299.4917 -30.0811 3.3650 759675.4934 2.8328 3.0336 PRESSURE: 3185800 121.386 4.1965 -4.14411 4.19683 57.4516 -200.981 -4.14443 -200.982 -211.228 GPRESSURE: 3185800 116.313 30.7674 59.3543 -45.3541 140.766 -135.99 43.5735 -150.614 -221.506 PRESSAVG: 3185800 -12.0398 -19.0782 17.6283 -19.0782 14.0222 28.4099 17.6283 28.4099 8.76576 GPRESSAVG: 3185800 -9.6594 -20.6503 16.8575 -18.9873 13.3784 29.6469 18.4967 28.9709 7.86761 TIMING: 3185800 CPU: 10128.9, 0.00315245/step Wall: 10128.9, 0.00315245/step, 1.58866 hours remaining, 234.472656 MB of memory in use. ENERGY: 3185800 3930.6040 20515.2849 14425.3558 252.0256 -203060.3880 2606.5845 0.0000 0.0000 51998.2783 -109332.2549 298.8348 -161330.5332 -108969.3540 299.7089 -10.7967 11.8580 763345.5206 3.5827 3.8622 PRESSURE: 3186000 -429.546 -202.584 11.5139 -202.584 -75.1229 132.719 11.5141 132.719 26.8888 GPRESSURE: 3186000 -325.441 -89.3311 -15.0959 -255.592 -81.4135 106.74 87.9392 126.176 24.0502 PRESSAVG: 3186000 -39.6054 -27.6285 -24.2242 -27.6286 31.2541 20.4318 -24.2242 20.4317 -0.636955 GPRESSAVG: 3186000 -41.4117 -25.9238 -22.2581 -27.7269 31.5756 18.8451 -24.8757 21.8574 0.896939 TIMING: 3186000 CPU: 10129.5, 0.00313442/step Wall: 10129.5, 0.00313442/step, 1.5794 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3186000 3941.3944 20370.8994 14489.7323 240.3517 -203110.6913 2675.5420 0.0000 0.0000 52085.7686 -109307.0028 299.3376 -161392.7714 -108935.0807 299.0156 -159.2600 -127.6015 763353.8383 -2.9961 -2.9797 PRESSURE: 3186200 -470.344 -53.8238 5.3364 -53.8236 -289.669 112.989 5.33631 112.99 -346.93 GPRESSURE: 3186200 -346.035 -101.763 -55.01 -82.7814 -353.233 94.874 109.589 66.9554 -326.113 PRESSAVG: 3186200 -60.5791 -88.3157 45.231 -88.3157 86.6336 18.2623 45.231 18.2623 21.1518 GPRESSAVG: 3186200 -59.5388 -89.6192 43.9554 -87.1782 87.004 20.0224 45.7222 17.6682 19.9481 TIMING: 3186200 CPU: 10130.1, 0.00312781/step Wall: 10130.1, 0.00312781/step, 1.5759 hours remaining, 234.472656 MB of memory in use. ENERGY: 3186200 4135.9058 20466.4241 14481.8082 271.2812 -203198.8095 2462.5320 0.0000 0.0000 52013.8596 -109366.9985 298.9244 -161380.8581 -109014.3048 299.2637 -368.9812 -341.7939 763433.0974 15.7354 15.8044 PRESSURE: 3186400 -59.8529 -187.02 -198.674 -187.02 -291.852 -102.625 -198.675 -102.626 79.4112 GPRESSURE: 3186400 -69.474 -178.096 -205.497 -161.282 -230.125 -121.253 -197.781 96.1638 108.53 PRESSAVG: 3186400 1.0121 -51.9895 5.27913 -51.9894 36.8529 64.0279 5.27916 64.0279 -37.1961 GPRESSAVG: 3186400 0.30784 -53.4061 5.28294 -52.6709 36.4907 62.6045 5.10122 64.9696 -36.5662 TIMING: 3186400 CPU: 10130.7, 0.00312173/step Wall: 10130.7, 0.00312173/step, 1.57266 hours remaining, 234.472656 MB of memory in use. ENERGY: 3186400 3930.4425 20498.9065 14498.2743 249.5501 -202900.3426 2235.9928 0.0000 0.0000 52094.5232 -109392.6532 299.3879 -161487.1765 -109034.4428 298.8485 -90.7647 -63.6896 763268.4579 0.2230 0.0775 PRESSURE: 3186600 107.292 -37.1573 176.351 -37.1574 126.602 89.2451 176.351 89.2457 37.4803 GPRESSURE: 3186600 120.813 -127.621 145.915 11.2592 215.23 150.079 125.302 158.381 12.1303 PRESSAVG: 3186600 -38.1474 -7.1232 -1.05265 -7.12328 31.0466 -10.1212 -1.0527 -10.1212 -18.5478 GPRESSAVG: 3186600 -37.4678 -5.86882 -2.57219 -5.41313 30.5193 -8.67904 -2.16468 -10.9317 -19.1297 TIMING: 3186600 CPU: 10131.4, 0.00313277/step Wall: 10131.4, 0.00313277/step, 1.57805 hours remaining, 234.472656 MB of memory in use. ENERGY: 3186600 4001.4007 20488.8552 14406.6297 238.7264 -203284.8101 2661.4932 0.0000 0.0000 52174.9254 -109312.7795 299.8500 -161487.7048 -108950.2646 299.2027 90.4582 116.0576 762728.0172 -8.5495 -8.6927 PRESSURE: 3186800 -92.2856 -2.08991 -148.492 -2.08987 25.2191 70.6915 -148.491 70.6914 -83.1859 GPRESSURE: 3186800 49.9167 48.1643 -142.586 -20.4809 -12.6493 59.7161 -160.213 132.853 -91.1873 PRESSAVG: 3186800 28.9724 -39.306 41.0454 -39.306 -4.5066 -32.0182 41.0454 -32.0182 8.77133 GPRESSAVG: 3186800 29.1413 -38.1382 43.6831 -41.2841 -5.1197 -31.696 42.0578 -31.7463 9.50798 TIMING: 3186800 CPU: 10132, 0.00312813/step Wall: 10132, 0.00312813/step, 1.57553 hours remaining, 234.472656 MB of memory in use. ENERGY: 3186800 4000.2355 20466.5747 14511.0004 260.3305 -202899.8343 2272.1241 0.0000 0.0000 52275.3278 -109114.2412 300.4270 -161389.5690 -108751.5345 300.0295 -50.0841 -17.9733 762663.0192 11.0791 11.1765 PRESSURE: 3187000 -349.598 133.389 -100.566 133.39 -197.16 -135.895 -100.566 -135.894 -363.072 GPRESSURE: 3187000 -267.556 75.2335 -163.132 152.705 -180.34 -110.487 -26.7456 -251.119 -358.442 PRESSAVG: 3187000 -18.133 -16.5121 -5.17303 -16.5121 16.5667 17.1082 -5.17306 17.1081 -8.69048 GPRESSAVG: 3187000 -19.4379 -16.1226 -8.55532 -16.2473 17.3691 17.0056 -2.39336 17.7382 -7.88482 TIMING: 3187000 CPU: 10132.6, 0.0031347/step Wall: 10132.6, 0.0031347/step, 1.57867 hours remaining, 234.472656 MB of memory in use. ENERGY: 3187000 3948.1290 20672.5761 14569.3030 253.4706 -203029.8638 2325.4919 0.0000 0.0000 52082.7246 -109178.1687 299.3201 -161260.8932 -108814.4205 299.7696 -303.2767 -268.7793 763194.1830 -3.4189 -3.3179 PRESSURE: 3187200 257.058 -102.944 179.723 -102.943 -142.155 250.55 179.722 250.549 -529.363 GPRESSURE: 3187200 240.305 -251.613 144.368 -16.7895 -139.729 242.982 272.113 109.147 -424.86 PRESSAVG: 3187200 -7.79891 -72.7611 41.8206 -72.7611 -20.7446 -15.1868 41.8207 -15.1868 7.85347 GPRESSAVG: 3187200 -7.01376 -74.829 43.6942 -73.5834 -20.7968 -16.2342 41.7649 -16.1291 6.77047 TIMING: 3187200 CPU: 10133.2, 0.00312555/step Wall: 10133.2, 0.00312555/step, 1.57389 hours remaining, 234.472656 MB of memory in use. ENERGY: 3187200 3986.6829 20697.6414 14476.8087 245.1301 -203328.8813 2622.3738 0.0000 0.0000 52234.2530 -109065.9915 300.1910 -161300.2445 -108704.1141 300.4382 -138.1533 -108.0949 760692.4953 -6.8967 -7.0134 PRESSURE: 3187400 -25.0168 -197.387 -47.2962 -197.387 -135.92 206.25 -47.2957 206.252 46.0664 GPRESSURE: 3187400 -6.67637 -231.685 -95.8032 -177.686 -14.0829 163.828 25.4813 212.698 0.658653 PRESSAVG: 3187400 -29.8077 -41.7855 68.5121 -41.7855 34.5106 15.9766 68.5122 15.9766 -24.152 GPRESSAVG: 3187400 -29.5375 -39.1198 68.8128 -39.3537 33.0529 17.4301 64.6356 17.7147 -23.3546 TIMING: 3187400 CPU: 10133.9, 0.00313748/step Wall: 10133.9, 0.00313748/step, 1.57972 hours remaining, 234.472656 MB of memory in use. ENERGY: 3187400 3972.2664 20686.4321 14485.6079 245.5199 -203261.8821 2442.1151 0.0000 0.0000 52304.7172 -109125.2234 300.5959 -161429.9406 -108764.0231 299.9168 -38.2902 -6.7002 762595.2462 -6.4830 -6.6131 PRESSURE: 3187600 -43.056 103.82 -63.2722 103.821 122.2 -121.952 -63.2715 -121.951 -188.526 GPRESSURE: 3187600 -18.4816 -50.3308 -101.927 131.921 189.652 -197.811 -97.5605 -50.5052 -207.962 PRESSAVG: 3187600 41.4284 -64.5026 29.014 -64.5026 -45.0978 0.786245 29.014 0.786318 12.4909 GPRESSAVG: 3187600 40.644 -66.3807 28.8276 -67.7262 -44.1004 -0.627836 29.2769 -0.107589 12.3695 TIMING: 3187600 CPU: 10134.5, 0.00315351/step Wall: 10134.5, 0.00315351/step, 1.58761 hours remaining, 234.472656 MB of memory in use. ENERGY: 3187600 4002.1156 20518.3293 14496.7234 233.0121 -203264.3011 2516.5166 0.0000 0.0000 52171.9828 -109325.6213 299.8331 -161497.6041 -108972.6212 300.1716 -36.4605 -12.2638 763150.9523 2.9405 2.9710 PRESSURE: 3187800 99.7847 -66.1032 -99.6763 -66.1039 65.128 277.003 -99.6761 277.003 194.595 GPRESSURE: 3187800 131.79 73.4899 -12.087 -48.6562 42.9646 308.142 -100.437 217.437 277.962 PRESSAVG: 3187800 54.6516 -19.8876 47.6305 -19.8875 -37.5384 1.20588 47.6305 1.20586 14.0946 GPRESSAVG: 3187800 55.72 -19.6425 46.4745 -17.1718 -37.6569 0.147421 47.9724 2.44435 13.5789 TIMING: 3187800 CPU: 10135.1, 0.00315307/step Wall: 10135.1, 0.00315307/step, 1.58722 hours remaining, 234.472656 MB of memory in use. ENERGY: 3187800 4019.2995 20530.3116 14509.4258 229.7842 -203464.2842 2738.1880 0.0000 0.0000 51982.7999 -109454.4752 298.7459 -161437.2752 -109087.0315 299.4403 119.8360 150.9056 762565.9626 10.4026 10.5473 PRESSURE: 3188000 175.134 -229.367 152.971 -229.366 -14.3956 244.071 152.97 244.071 -129.328 GPRESSURE: 3188000 151.829 -265.041 167.189 -183.498 29.2418 305.023 190.999 269.748 -72.4614 PRESSAVG: 3188000 -35.6251 -71.3891 27.2806 -71.3891 2.06957 70.6194 27.2806 70.6193 37.8435 GPRESSAVG: 3188000 -36.6671 -69.5918 26.9734 -74.196 3.18674 73.2978 27.9467 67.806 37.546 TIMING: 3188000 CPU: 10135.8, 0.00313174/step Wall: 10135.8, 0.00313174/step, 1.57631 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3188000 3985.8815 20547.1445 14504.7861 236.8061 -203541.6738 2639.2418 0.0000 0.0000 52141.4750 -109486.3389 299.6578 -161627.8139 -109124.8549 299.2904 10.4700 36.2030 761426.9895 1.4293 1.3552 PRESSURE: 3188200 274.786 -32.1717 126.643 -32.1711 -96.9481 -296.94 126.642 -296.94 -283.607 GPRESSURE: 3188200 280.937 -35.33 142.93 -62.7853 -37.5351 -335.212 87.206 -308.914 -268.41 PRESSAVG: 3188200 12.9772 -15.1135 3.59113 -15.1136 25.3454 -16.6607 3.59112 -16.6607 -10.3319 GPRESSAVG: 3188200 13.163 -17.4433 5.60819 -13.2886 23.9276 -18.0475 2.82668 -13.8062 -9.17242 TIMING: 3188200 CPU: 10136.4, 0.0031504/step Wall: 10136.4, 0.0031504/step, 1.58552 hours remaining, 234.472656 MB of memory in use. ENERGY: 3188200 4000.4025 20591.3378 14474.0133 232.3505 -203324.0216 2487.2884 0.0000 0.0000 51981.7580 -109556.8712 298.7399 -161538.6292 -109193.8197 299.5554 -35.2562 -8.3360 761470.0226 9.3302 9.3061 LDB: ============= START OF LOAD BALANCING ============== 10148.8 LDB: ============== END OF LOAD BALANCING =============== 10148.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10148.8 LDB: ============= START OF LOAD BALANCING ============== 10149.1 LDB: Largest compute 7058 load 0.029124 is 14.9% of average load 0.195478 LDB: Average compute 0.004384 is 2.2% of average load 0.195478 LDB: TIME 10149.1 LOAD: AVG 0.195478 MAX 0.214649 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.219 MB LDB: TIME 10149.1 LOAD: AVG 0.195478 MAX 0.214649 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: TIME 10149.1 LOAD: AVG 0.195478 MAX 0.214649 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: ============== END OF LOAD BALANCING =============== 10149.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10149.1 PRESSURE: 3188400 164.534 87.9307 -62.1242 87.9317 -172.685 117.027 -62.1241 117.027 4.29671 GPRESSURE: 3188400 189.482 -6.2781 -108.579 -22.6595 -154.663 -26.1215 -97.774 154.108 45.9597 PRESSAVG: 3188400 51.4932 -25.2521 -62.4208 -25.252 2.84751 -44.4591 -62.4208 -44.4591 5.42504 GPRESSAVG: 3188400 51.4867 -24.08 -63.3126 -27.967 3.85478 -42.9147 -62.3339 -45.9699 4.32057 TIMING: 3188400 CPU: 10137, 0.00321314/step Wall: 10137, 0.00321314/step, 1.61692 hours remaining, 234.074219 MB of memory in use. ENERGY: 3188400 4005.1503 20521.7101 14428.6886 251.1182 -203269.7756 2474.7726 0.0000 0.0000 52219.7972 -109368.5385 300.1079 -161588.3357 -109010.1130 299.2416 -1.2846 26.9260 760494.6554 19.9219 19.8874 PRESSURE: 3188600 76.0397 -101.207 -184.262 -101.208 55.9784 84.9866 -184.261 84.9867 204.223 GPRESSURE: 3188600 207.447 -28.4 -151.801 6.27457 54.9355 101.102 -85.3202 44.6785 164.131 PRESSAVG: 3188600 32.6203 -45.1003 -19.809 -45.1003 -29.126 -10.3497 -19.8091 -10.3498 -13.9402 GPRESSAVG: 3188600 31.3156 -46.1513 -18.4876 -42.8656 -28.8349 -10.5014 -21.9114 -10.9243 -12.7034 TIMING: 3188600 CPU: 10137.7, 0.00312763/step Wall: 10137.7, 0.00312763/step, 1.57372 hours remaining, 234.476562 MB of memory in use. ENERGY: 3188600 3979.6379 20526.8284 14438.2013 231.9253 -203578.1921 2815.6690 0.0000 0.0000 52292.0885 -109293.8418 300.5234 -161585.9303 -108926.0205 299.7572 112.0805 142.1713 762391.7399 -3.4820 -3.4076 PRESSURE: 3188800 30.5923 -2.57109 -31.5965 -2.57149 33.4414 -192.512 -31.5956 -192.513 -77.8298 GPRESSURE: 3188800 75.6581 -38.4264 -80.5046 -35.7545 64.4385 -162.831 21.2063 -96.2774 -65.1634 PRESSAVG: 3188800 -46.6428 -7.31312 9.74141 -7.31323 11.3359 -4.3703 9.74151 -4.37032 26.725 GPRESSAVG: 3188800 -45.1488 -7.1268 10.0332 -6.20033 10.4122 -5.40981 13.1368 -3.40163 25.7995 TIMING: 3188800 CPU: 10138.3, 0.00311075/step Wall: 10138.3, 0.00311075/step, 1.56505 hours remaining, 234.476562 MB of memory in use. ENERGY: 3188800 4030.1528 20414.5677 14529.0628 235.2924 -203361.6028 2629.0951 0.0000 0.0000 52284.2023 -109239.2297 300.4780 -161523.4320 -108875.0115 299.4328 -4.5987 24.9777 761590.9174 -2.8606 -2.9790 PRESSURE: 3189000 227.018 -124.543 47.7107 -124.543 -117.573 87.6497 47.7102 87.6495 263.05 GPRESSURE: 3189000 224.237 -111.533 53.9798 -65.234 7.28077 54.6505 78.8443 120.27 222.036 PRESSAVG: 3189000 18.1623 -31.6849 5.21319 -31.685 5.16694 16.7499 5.21312 16.7499 -24.6885 GPRESSAVG: 3189000 16.6903 -31.5155 4.56028 -32.7486 6.63713 17.015 4.49918 18.1177 -24.7793 TIMING: 3189000 CPU: 10138.9, 0.00312981/step Wall: 10138.9, 0.00312981/step, 1.57447 hours remaining, 234.476562 MB of memory in use. ENERGY: 3189000 3970.8116 20724.3087 14473.5991 246.9182 -203275.3363 2591.2467 0.0000 0.0000 51816.8450 -109451.6070 297.7921 -161268.4520 -109096.3652 299.9458 124.1651 151.1845 761629.5956 -0.4531 -0.4840 PRESSURE: 3189200 -127.697 39.9957 207.017 39.9948 -188.265 -99.3384 207.017 -99.3379 10.8631 GPRESSURE: 3189200 -64.5696 9.26105 233.996 -16.4749 -213.212 -184.515 163.31 39.2046 69.1807 PRESSAVG: 3189200 45.0077 -69.8796 26.6932 -69.8796 -26.1597 5.73549 26.6931 5.73549 28.6177 GPRESSAVG: 3189200 44.4092 -68.1559 25.0462 -71.1363 -25.3862 4.79977 24.8791 6.45276 28.2265 TIMING: 3189200 CPU: 10139.5, 0.00313465/step Wall: 10139.5, 0.00313465/step, 1.57673 hours remaining, 234.476562 MB of memory in use. ENERGY: 3189200 3942.2119 20504.2980 14467.4505 252.4438 -202816.3019 2286.8087 0.0000 0.0000 51648.7309 -109714.3581 296.8260 -161363.0890 -109343.4975 299.0219 -101.6994 -69.5336 763117.2607 15.8219 15.7498 PRESSURE: 3189400 -18.0375 -141.116 11.4795 -141.117 -22.4816 -189.385 11.4788 -189.385 -98.2571 GPRESSURE: 3189400 105.87 -153.286 -36.8274 -264.71 -131.082 -65.211 -15.9154 -182.257 -30.0029 PRESSAVG: 3189400 1.90253 -67.8587 9.37574 -67.8586 27.4575 33.543 9.37569 33.543 -12.5845 GPRESSAVG: 3189400 3.47228 -68.5997 9.11092 -66.0387 25.4511 34.1571 9.9222 31.7459 -12.1065 TIMING: 3189400 CPU: 10140.2, 0.00312147/step Wall: 10140.2, 0.00312147/step, 1.56993 hours remaining, 234.476562 MB of memory in use. ENERGY: 3189400 3986.3755 20581.2805 14402.5234 252.2916 -203676.7851 2540.8572 0.0000 0.0000 52085.1642 -109828.2926 299.3342 -161913.4568 -109467.2933 299.1189 -46.2587 -18.4050 760271.9935 5.5919 5.6056 PRESSURE: 3189600 -285.075 160.606 85.1266 160.607 -146.095 82.0376 85.1261 82.0382 -112.234 GPRESSURE: 3189600 -339.177 106.676 139.894 32.8498 -46.6404 45.3207 175.677 -3.39437 -87.816 PRESSAVG: 3189600 -45.646 -28.19 40.6811 -28.1901 20.3068 14.8575 40.6811 14.8574 -23.5852 GPRESSAVG: 3189600 -47.6148 -29.1117 43.7371 -28.7871 21.2595 16.308 42.0254 12.5327 -22.3864 TIMING: 3189600 CPU: 10140.8, 0.00312814/step Wall: 10140.8, 0.00312814/step, 1.5731 hours remaining, 234.679688 MB of memory in use. ENERGY: 3189600 4072.9748 20530.5629 14428.2381 236.0779 -203347.2249 2236.6413 0.0000 0.0000 51948.7075 -109894.0225 298.5499 -161842.7300 -109537.1791 298.4644 -181.1345 -157.8778 760907.7147 -16.3082 -16.2472 PRESSURE: 3189800 -193.001 -111.814 -107.796 -111.814 -93.7652 -261.385 -107.796 -261.386 -441.164 GPRESSURE: 3189800 -119.206 -100.07 -121.174 -4.99186 -78.9577 -202.865 -125.248 -225.504 -449.725 PRESSAVG: 3189800 -15.7769 -40.6139 0.507391 -40.6139 -9.55243 5.97235 0.507378 5.97226 -1.11969 GPRESSAVG: 3189800 -14.7065 -39.1917 -2.22873 -41.7831 -9.34772 5.09589 -0.526578 6.98305 -2.18621 TIMING: 3189800 CPU: 10141.4, 0.00311358/step Wall: 10141.4, 0.00311358/step, 1.56561 hours remaining, 234.816406 MB of memory in use. ENERGY: 3189800 4063.5248 20483.0602 14480.8500 248.1198 -203759.8582 2545.0658 0.0000 0.0000 51892.8919 -110046.3457 298.2292 -161939.2376 -109684.9623 298.9173 -242.6434 -215.9628 760834.2725 -8.8163 -8.7468 PRESSURE: 3190000 -51.7904 -131.279 -126.828 -131.28 -313.977 -27.2389 -126.827 -27.2384 122.275 GPRESSURE: 3190000 -93.3249 -33.8233 -141.176 -195.932 -247.684 -26.7925 -7.05352 -49.762 183.894 PRESSAVG: 3190000 -45.9136 -33.467 -45.245 -33.467 -2.56873 -0.945325 -45.2449 -0.945321 -2.65436 GPRESSAVG: 3190000 -46.3813 -34.525 -42.7306 -32.859 -3.46138 0.222369 -44.5956 0.360751 -1.33824 TIMING: 3190000 CPU: 10142, 0.00312743/step Wall: 10142, 0.00312743/step, 1.5724 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3190000 3921.9334 20521.3475 14400.5890 230.7694 -203741.9580 2769.2891 0.0000 0.0000 51841.4065 -110056.6230 297.9333 -161898.0295 -109699.2863 298.5340 -81.1642 -52.3718 762384.6311 -17.0456 -17.0603 PRESSURE: 3190200 -116.122 -119.581 59.9533 -119.582 -209.03 -278.434 59.9532 -278.434 -396.266 GPRESSURE: 3190200 -129.011 -118.21 1.27683 -102.688 -150.278 -217.095 -74.8661 -232.388 -368.426 PRESSAVG: 3190200 -73.6395 -60.2258 -47.2672 -60.2259 15.9801 -35.7047 -47.2673 -35.7047 27.4738 GPRESSAVG: 3190200 -71.329 -59.9788 -48.6736 -58.0437 16.6236 -37.0492 -49.3681 -35.6698 24.8745 TIMING: 3190200 CPU: 10142.7, 0.00311479/step Wall: 10142.7, 0.00311479/step, 1.56587 hours remaining, 234.816406 MB of memory in use. ENERGY: 3190200 4028.0407 20408.1620 14466.4926 250.3665 -203393.4812 2443.2050 0.0000 0.0000 51967.6761 -109829.5383 298.6589 -161797.2144 -109467.4449 298.9341 -240.4729 -215.9053 762567.6714 -10.0618 -9.9436 PRESSURE: 3190400 79.5254 -155.223 124.752 -155.223 7.35839 63.847 124.752 63.8463 -261.169 GPRESSURE: 3190400 55.0989 -123.704 169.937 -281.074 75.9264 2.33742 77.9265 -78.2032 -234.287 PRESSAVG: 3190400 -26.8917 -72.9182 -34.4253 -72.9182 37.604 -51.8164 -34.4253 -51.8164 0.595409 GPRESSAVG: 3190400 -28.6559 -72.4984 -33.7069 -75.0788 38.6103 -53.5775 -33.8092 -52.2905 1.58819 TIMING: 3190400 CPU: 10143.3, 0.00311875/step Wall: 10143.3, 0.00311875/step, 1.56769 hours remaining, 234.816406 MB of memory in use. ENERGY: 3190400 3999.5889 20475.8514 14430.3662 220.2067 -203889.6258 2849.9980 0.0000 0.0000 52064.1038 -109849.5108 299.2131 -161913.6146 -109481.9115 298.6463 -58.0949 -34.4207 763215.8006 3.7692 3.8475 PRESSURE: 3190600 16.4773 -175.752 117.538 -175.752 76.9027 132.139 117.537 132.138 -133.056 GPRESSURE: 3190600 103.833 -230.181 163.822 -259.973 147.95 125.345 345.296 149.741 -204.399 PRESSAVG: 3190600 -5.44245 6.26536 11.6656 6.26533 6.47152 22.0214 11.6656 22.0214 6.19372 GPRESSAVG: 3190600 -4.42294 3.59619 11.291 8.34032 4.28808 23.123 12.4291 21.8598 7.09605 TIMING: 3190600 CPU: 10143.9, 0.00312745/step Wall: 10143.9, 0.00312745/step, 1.57189 hours remaining, 234.816406 MB of memory in use. ENERGY: 3190600 3972.9213 20398.0986 14469.8801 249.6507 -204077.7220 2949.6319 0.0000 0.0000 52018.1405 -110019.3989 298.9490 -162037.5395 -109656.2087 298.6923 -13.2255 15.7946 760973.8711 2.4076 2.3204 PRESSURE: 3190800 -126.441 -149.417 -157.712 -149.418 197.848 17.9447 -157.711 17.9444 116.061 GPRESSURE: 3190800 -93.8061 -105.429 -192.46 -122.303 276.843 -53.301 -122.483 126.732 105.219 PRESSAVG: 3190800 1.91786 -55.041 25.6888 -55.0409 16.3059 -2.38484 25.6889 -2.38493 -19.2861 GPRESSAVG: 3190800 1.33572 -52.2877 25.3562 -55.2942 18.6683 -2.0949 26.2297 -1.24148 -20.7832 TIMING: 3190800 CPU: 10144.5, 0.0031334/step Wall: 10144.5, 0.0031334/step, 1.57471 hours remaining, 234.816406 MB of memory in use. ENERGY: 3190800 3917.9452 20585.8811 14468.9032 235.8116 -203987.4742 2888.6068 0.0000 0.0000 51910.7560 -109979.5703 298.3318 -161890.3263 -109623.7320 298.1621 62.4895 96.0854 758119.2282 -0.3541 -0.2597 PRESSURE: 3191000 109.43 -7.12883 138.826 -7.12911 -246.022 139.544 138.826 139.544 -17.4856 GPRESSURE: 3191000 163.205 -39.6191 136.839 14.6566 -142.918 92.2336 -16.7828 91.324 -86.1241 PRESSAVG: 3191000 -11.0454 -30.9753 21.8015 -30.9754 4.52783 -40.0798 21.8015 -40.0799 18.3485 GPRESSAVG: 3191000 -10.741 -31.3361 22.8854 -30.3033 4.56818 -37.5811 20.4648 -42.8673 17.9761 TIMING: 3191000 CPU: 10145.2, 0.00310308/step Wall: 10145.2, 0.00310308/step, 1.5593 hours remaining, 234.816406 MB of memory in use. ENERGY: 3191000 3868.0544 20389.0239 14512.4970 246.3415 -203748.1390 2815.8474 0.0000 0.0000 52170.4268 -109745.9480 299.8242 -161916.3747 -109378.3472 298.4798 -51.3594 -21.9456 761391.9447 3.9436 3.9344 PRESSURE: 3191200 -306.083 -277.189 -389.488 -277.189 80.2789 78.4016 -389.488 78.4029 198.059 GPRESSURE: 3191200 -287.752 -131.141 -368.652 -162.844 87.3749 100.293 -380.572 36.8507 281.425 PRESSAVG: 3191200 -27.3013 -57.1703 -39.0809 -57.1703 -29.1237 9.98585 -39.0809 9.98587 10.9203 GPRESSAVG: 3191200 -27.5975 -59.254 -41.6463 -57.5484 -29.2811 7.61443 -36.5235 10.0139 10.983 TIMING: 3191200 CPU: 10145.8, 0.00312632/step Wall: 10145.8, 0.00312632/step, 1.5708 hours remaining, 234.816406 MB of memory in use. ENERGY: 3191200 3953.6667 20428.7012 14513.0037 230.6231 -203261.2596 2741.8889 0.0000 0.0000 52035.6293 -109357.7467 299.0495 -161393.3760 -108991.2716 299.3092 -9.2484 27.0161 761296.3753 -15.1682 -15.2985 PRESSURE: 3191400 -360.229 -62.358 118.261 -62.3582 -107.951 144.857 118.261 144.857 288.443 GPRESSURE: 3191400 -190.233 43.6313 118.232 -8.63833 -108.036 126.545 69.5404 122.167 211.081 PRESSAVG: 3191400 -28.84 -63.6531 -27.3984 -63.6532 -0.125104 18.2136 -27.3984 18.2137 2.99822 GPRESSAVG: 3191400 -28.3973 -61.8524 -25.6632 -65.0482 -0.315348 18.3625 -29.4656 18.2909 2.63765 TIMING: 3191400 CPU: 10146.4, 0.00311809/step Wall: 10146.4, 0.00311809/step, 1.5665 hours remaining, 234.816406 MB of memory in use. ENERGY: 3191400 3987.8755 20391.4553 14520.2510 238.9402 -202763.7094 2291.0256 0.0000 0.0000 51886.1754 -109447.9862 298.1906 -161334.1616 -109076.9724 298.6751 -59.9124 -29.0629 761101.7914 -8.6556 -8.6917 PRESSURE: 3191600 -119.4 -24.3027 -155.651 -24.3033 -405.896 46.3366 -155.652 46.3367 -508.87 GPRESSURE: 3191600 -158.469 -117.445 -118.684 -38.3285 -324.191 93.7869 -89.9602 -5.06379 -447.917 PRESSAVG: 3191600 -3.4014 -13.8577 -17.3961 -13.8576 -65.5178 -17.9102 -17.3961 -17.9102 8.44994 GPRESSAVG: 3191600 -4.5199 -15.8447 -17.9301 -10.9775 -65.3999 -17.3828 -15.8798 -17.4133 9.48059 TIMING: 3191600 CPU: 10147, 0.00313604/step Wall: 10147, 0.00313604/step, 1.57534 hours remaining, 234.816406 MB of memory in use. ENERGY: 3191600 4041.5115 20706.4474 14455.7823 236.0597 -203109.7482 2307.8939 0.0000 0.0000 51829.1257 -109532.9278 297.8627 -161362.0535 -109179.6016 299.2164 -344.7218 -310.1924 762407.9997 -20.1564 -20.1464 PRESSURE: 3191800 -112.843 150.049 186.491 150.049 -205.927 -211.78 186.491 -211.779 231.257 GPRESSURE: 3191800 -132.259 137.455 288.204 56.5152 -142.383 -201.529 132.692 -147.473 250.836 PRESSAVG: 3191800 29.1107 -43.0518 32.3918 -43.0518 -88.0924 8.98729 32.3918 8.98722 15.9093 GPRESSAVG: 3191800 29.8166 -41.2152 31.8803 -46.0716 -89.8618 7.29572 32.3681 10.8275 16.5138 TIMING: 3191800 CPU: 10147.7, 0.00314083/step Wall: 10147.7, 0.00314083/step, 1.57757 hours remaining, 234.816406 MB of memory in use. ENERGY: 3191800 3966.3435 20534.8807 14436.9818 248.5082 -203406.2554 2558.3865 0.0000 0.0000 52016.8259 -109644.3289 298.9414 -161661.1548 -109272.0945 298.8780 -29.1710 -7.9353 762103.5683 -14.3575 -14.5105 PRESSURE: 3192000 15.7744 -69.0702 1.94327 -69.069 67.6404 244.678 1.94307 244.678 162.151 GPRESSURE: 3192000 134.49 -65.9699 24.4573 -24.0358 44.7852 278.415 16.6805 157.445 153.56 PRESSAVG: 3192000 -27.9959 -65.9889 38.2309 -65.9889 16.5479 -2.38409 38.231 -2.38408 20.7033 GPRESSAVG: 3192000 -27.6728 -66.7191 38.2517 -65.0459 16.7217 -1.15738 38.9557 -3.66272 20.2537 TIMING: 3192000 CPU: 10148.3, 0.0031377/step Wall: 10148.3, 0.0031377/step, 1.57582 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3192000 3928.7103 20566.1146 14513.3939 253.0530 -203474.4767 2584.4449 0.0000 0.0000 51960.7295 -109668.0306 298.6190 -161628.7601 -109310.0329 298.8850 81.8552 110.9449 761356.4537 3.0851 3.1009 PRESSURE: 3192200 -71.7614 121.471 -21.299 121.471 32.8967 202.163 -21.299 202.163 102.35 GPRESSURE: 3192200 -64.7786 85.1718 31.8417 99.894 66.1483 195.776 -75.0379 99.1083 131.723 PRESSAVG: 3192200 -34.4085 -88.3699 -9.88655 -88.3698 63.5924 -6.27388 -9.88653 -6.27387 0.179531 GPRESSAVG: 3192200 -34.8282 -87.9026 -9.75317 -88.1122 64.5132 -7.27659 -10.6577 -3.1072 -0.188456 TIMING: 3192200 CPU: 10148.9, 0.00312065/step Wall: 10148.9, 0.00312065/step, 1.56709 hours remaining, 234.816406 MB of memory in use. ENERGY: 3192200 3962.1853 20666.7316 14515.6141 238.3428 -203873.5277 2782.7722 0.0000 0.0000 51993.7513 -109714.1304 298.8088 -161707.8817 -109355.9233 298.9505 21.1618 44.3642 760301.2306 9.7878 9.8322 LDB: ============= START OF LOAD BALANCING ============== 10161.3 LDB: ============== END OF LOAD BALANCING =============== 10161.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10161.3 LDB: ============= START OF LOAD BALANCING ============== 10161.6 LDB: Largest compute 7036 load 0.029798 is 15.2% of average load 0.195521 LDB: Average compute 0.004377 is 2.2% of average load 0.195521 LDB: TIME 10161.6 LOAD: AVG 0.195521 MAX 0.214883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 10161.6 LOAD: AVG 0.195521 MAX 0.214883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: TIME 10161.6 LOAD: AVG 0.195521 MAX 0.214883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: ============== END OF LOAD BALANCING =============== 10161.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10161.6 PRESSURE: 3192400 190.951 -62.6398 227.516 -62.6404 282.816 -179.196 227.516 -179.195 -344.592 GPRESSURE: 3192400 263.854 -19.0293 271.167 -184.093 234.364 -164.733 54.677 -176.463 -275.215 PRESSAVG: 3192400 -18.7145 -82.1026 -9.50917 -82.1025 42.7874 53.4337 -9.50915 53.4337 12.0248 GPRESSAVG: 3192400 -18.9007 -82.9377 -8.53244 -82.1541 42.157 54.4692 -11.635 51.9473 12.8335 TIMING: 3192400 CPU: 10149.5, 0.00318501/step Wall: 10149.5, 0.00318501/step, 1.59923 hours remaining, 233.304688 MB of memory in use. ENERGY: 3192400 4019.1984 20435.6563 14505.7342 259.1514 -203296.2247 2405.8248 0.0000 0.0000 52100.1614 -109570.4983 299.4203 -161670.6597 -109210.9837 298.9850 43.0586 74.3343 761257.9750 12.0325 12.0299 PRESSURE: 3192600 224.457 91.6691 130.506 91.67 41.7304 -219.207 130.505 -219.206 180.442 GPRESSURE: 3192600 293.654 18.334 78.2948 74.1991 146.153 -259.745 114.284 -169.229 81.1696 PRESSAVG: 3192600 -55.4085 -46.2031 -17.8547 -46.2031 57.905 25.6937 -17.8547 25.6937 9.80121 GPRESSAVG: 3192600 -54.5818 -45.3843 -17.5401 -48.1344 58.2359 25.9134 -16.0005 23.536 8.90816 TIMING: 3192600 CPU: 10150.2, 0.00312694/step Wall: 10150.2, 0.00312694/step, 1.5699 hours remaining, 233.777344 MB of memory in use. ENERGY: 3192600 3964.5786 20461.5007 14535.3566 240.2529 -203005.2792 2291.1117 0.0000 0.0000 51910.5798 -109601.8990 298.3308 -161512.4787 -109256.4003 298.6998 148.8766 173.6588 760569.6657 4.0993 4.1874 PRESSURE: 3192800 -228.333 -33.6193 -141.473 -33.6205 -258.097 -1.03309 -141.473 -1.03338 -58.73 GPRESSURE: 3192800 -236.786 75.0203 -129.529 13.1208 -203.599 -1.77062 -73.8932 46.2537 -0.796517 PRESSAVG: 3192800 6.02893 -42.2936 46.7258 -42.2935 41.7267 11.2551 46.7258 11.2552 -14.6156 GPRESSAVG: 3192800 6.0363 -41.9516 45.308 -38.6644 42.0938 11.0208 47.7209 12.805 -14.3668 TIMING: 3192800 CPU: 10150.8, 0.00311112/step Wall: 10150.8, 0.00311112/step, 1.56178 hours remaining, 233.976562 MB of memory in use. ENERGY: 3192800 3937.3582 20557.8022 14465.3814 231.6292 -203201.9008 2256.0627 0.0000 0.0000 52189.6151 -109564.0520 299.9344 -161753.6671 -109206.5575 298.6948 -181.7200 -147.0605 761402.9717 11.0467 11.2544 PRESSURE: 3193000 -310.143 -101.916 91.5078 -101.916 -162.68 50.804 91.5075 50.8036 -286.491 GPRESSURE: 3193000 -229.805 -139.234 176.977 43.8092 -161.613 34.5824 97.3015 152.833 -289.288 PRESSAVG: 3193000 -98.4794 -4.28331 7.65158 -4.28332 61.4883 26.0543 7.65157 26.0543 -2.07266 GPRESSAVG: 3193000 -98.2012 -4.84397 8.33402 -5.93621 61.3825 25.1972 8.61006 25.0555 -2.31639 TIMING: 3193000 CPU: 10151.4, 0.00313299/step Wall: 10151.4, 0.00313299/step, 1.57259 hours remaining, 233.976562 MB of memory in use. ENERGY: 3193000 4053.1711 20628.0806 14479.2930 243.1734 -202808.2518 2110.8145 0.0000 0.0000 51899.5373 -109394.1819 298.2674 -161293.7192 -109037.9296 299.3025 -253.1046 -226.9021 762429.2743 -13.0212 -13.0450 PRESSURE: 3193200 -3.06182 93.0562 196.152 93.0562 -145.662 97.2887 196.151 97.2892 -287.18 GPRESSURE: 3193200 -102.346 34.7022 225.344 72.6158 -117.969 221.103 183.132 97.5589 -127.903 PRESSAVG: 3193200 -67.9348 -58.1723 13.9989 -58.1723 64.9279 9.56287 13.9989 9.56285 9.748 GPRESSAVG: 3193200 -68.5799 -57.4171 13.4891 -60.2765 64.5199 9.79711 14.1803 11.1499 10.2875 TIMING: 3193200 CPU: 10152, 0.003116/step Wall: 10152, 0.003116/step, 1.56389 hours remaining, 233.976562 MB of memory in use. ENERGY: 3193200 4009.5676 20569.5408 14497.9398 270.9623 -203183.3769 2477.4993 0.0000 0.0000 51880.3320 -109477.5351 298.1570 -161357.8671 -109120.7359 299.2811 -145.3013 -116.0726 760694.7343 2.2470 2.0759 PRESSURE: 3193400 58.2913 215.777 -41.6547 215.778 40.3105 105.665 -41.6546 105.663 130.295 GPRESSURE: 3193400 162.44 195.927 -70.3157 259.42 26.3842 133.581 77.9053 55.5511 130.598 PRESSAVG: 3193400 -14.1273 -37.1305 62.9737 -37.1305 47.7454 -5.39794 62.9737 -5.3981 14.6737 GPRESSAVG: 3193400 -14.2262 -37.8093 63.6727 -34.9517 47.0204 -5.39648 61.0799 -6.90869 15.5085 TIMING: 3193400 CPU: 10152.7, 0.00311925/step Wall: 10152.7, 0.00311925/step, 1.56535 hours remaining, 233.976562 MB of memory in use. ENERGY: 3193400 4020.7460 20472.8437 14435.6654 252.9353 -203395.2289 2602.1896 0.0000 0.0000 52247.3198 -109363.5292 300.2661 -161610.8490 -108995.7989 299.4099 76.2990 106.4740 759877.6595 16.0973 16.1009 PRESSURE: 3193600 338.674 17.0434 249.851 17.0436 55.0181 16.4596 249.851 16.4597 249.517 GPRESSURE: 3193600 318.743 -26.1584 230.773 -20.8885 159.413 -11.0933 284.098 -12.5372 234.924 PRESSAVG: 3193600 -55.3454 -0.425764 68.9013 -0.425779 40.2666 34.7416 68.9013 34.7416 -9.2183 GPRESSAVG: 3193600 -54.7527 0.934724 67.3693 -1.18469 40.9825 34.0654 72.1223 37.4475 -10.715 TIMING: 3193600 CPU: 10153.3, 0.00311563/step Wall: 10153.3, 0.00311563/step, 1.56336 hours remaining, 233.976562 MB of memory in use. ENERGY: 3193600 4031.4490 20474.0118 14470.3952 260.6435 -203754.2334 2931.2242 0.0000 0.0000 52202.1053 -109384.4044 300.0062 -161586.5098 -109023.0228 299.3759 214.4028 237.6933 759265.5902 -8.0990 -8.1617 PRESSURE: 3193800 -91.5158 -9.5675 93.282 -9.56711 -205.317 74.9891 93.2829 74.9892 -347.519 GPRESSURE: 3193800 -119.363 44.1997 160.905 -100.897 -118.864 9.40474 -92.5352 -33.5468 -311.484 PRESSAVG: 3193800 -24.5689 -40.5214 38.9888 -40.5213 82.6966 27.7381 38.9889 27.7382 27.824 GPRESSAVG: 3193800 -25.4591 -41.4838 40.7198 -40.2287 82.7511 27.6533 36.99 22.7246 29.3472 TIMING: 3193800 CPU: 10153.9, 0.00313817/step Wall: 10153.9, 0.00313817/step, 1.57449 hours remaining, 233.976562 MB of memory in use. ENERGY: 3193800 4053.6598 20588.5178 14477.0358 245.5869 -202739.7369 2303.7434 0.0000 0.0000 51919.7353 -109151.4579 298.3834 -161071.1932 -108787.5979 300.1038 -214.7839 -183.2370 761400.2936 28.6506 28.8797 PRESSURE: 3194000 -1.92527 -152.22 328.852 -152.219 78.4226 44.8544 328.853 44.8545 207.9 GPRESSURE: 3194000 90.041 -33.9532 187.651 -185.495 8.38037 17.6456 361.17 22.6926 276.703 PRESSAVG: 3194000 -39.4841 -63.5654 30.3314 -63.5653 57.8425 32.7025 30.3314 32.7024 -5.36778 GPRESSAVG: 3194000 -38.0696 -62.1504 30.7656 -64.5299 57.036 34.0893 28.0141 34.4458 -6.02699 TIMING: 3194000 CPU: 10154.5, 0.00313272/step Wall: 10154.5, 0.00313272/step, 1.57158 hours remaining, 233.976562 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: 3194000 3967.8665 20439.8884 14416.4846 260.1356 -202930.4701 2429.1006 0.0000 0.0000 52254.9493 -109162.0450 300.3099 -161416.9943 -108794.2031 299.6760 94.7991 125.0416 760791.1124 4.3302 4.3131 PRESSURE: 3194200 302.496 -42.8777 100.724 -42.8766 82.2027 361.308 100.724 361.31 -83.5772 GPRESSURE: 3194200 276.616 -2.38573 39.9009 0.713113 126.256 354.803 192.192 175.722 -30.0349 PRESSAVG: 3194200 23.9483 -38.5256 1.98526 -38.5257 0.972814 35.5538 1.98531 35.5538 -2.11646 GPRESSAVG: 3194200 23.9351 -39.7958 1.90977 -37.5218 0.784362 34.3353 2.80306 38.0178 -1.97021 TIMING: 3194200 CPU: 10155.2, 0.00312669/step Wall: 10155.2, 0.00312669/step, 1.56838 hours remaining, 233.976562 MB of memory in use. ENERGY: 3194200 3943.6053 20600.0601 14538.1417 236.3746 -203179.7979 2533.2515 0.0000 0.0000 52348.8274 -108979.5374 300.8494 -161328.3647 -108624.8365 299.9069 100.3737 124.2788 759987.6210 7.6016 7.5831 PRESSURE: 3194400 -216.745 -140.945 -6.8272 -140.945 -66.6771 79.6349 -6.82628 79.6354 -180.899 GPRESSURE: 3194400 -153.441 -7.1718 -30.3484 -118.189 -32.0933 79.7705 26.5544 17.9319 -178.6 PRESSAVG: 3194400 13.8137 -22.7686 -37.4325 -22.7686 -13.5407 18.5478 -37.4325 18.5478 18.9759 GPRESSAVG: 3194400 12.2756 -21.6258 -38.3482 -22.2122 -11.7561 17.6148 -35.7629 17.3642 18.6189 TIMING: 3194400 CPU: 10155.8, 0.00313046/step Wall: 10155.8, 0.00313046/step, 1.5701 hours remaining, 233.976562 MB of memory in use. ENERGY: 3194400 3942.9887 20636.7847 14562.5067 249.8545 -202549.2993 2075.2898 0.0000 0.0000 52481.4247 -108600.4501 301.6115 -161081.8748 -108231.2677 301.0134 -154.7737 -121.3781 760603.5058 6.4163 6.3795 PRESSURE: 3194600 -434.155 -115.665 -208.348 -115.665 -415.746 -215.115 -208.349 -215.116 -276.596 GPRESSURE: 3194600 -441.798 -45.6972 -174.168 -129.918 -396.663 -78.7443 -50.3544 -98.9982 -204.795 PRESSAVG: 3194600 2.57007 -40.0434 6.88005 -40.0434 -21.61 -9.57156 6.88001 -9.57149 -14.1818 GPRESSAVG: 3194600 4.42367 -40.0644 8.84596 -40.9229 -22.9795 -6.43014 7.93349 -8.69878 -14.0318 TIMING: 3194600 CPU: 10156.4, 0.00312305/step Wall: 10156.4, 0.00312305/step, 1.56621 hours remaining, 233.976562 MB of memory in use. ENERGY: 3194600 4031.7511 20551.1983 14550.3471 259.1129 -202453.4201 2099.9740 0.0000 0.0000 52424.8179 -108536.2188 301.2861 -160961.0367 -108168.6798 301.3687 -375.4990 -347.7522 761000.7832 -11.0739 -10.8625 PRESSURE: 3194800 -104.482 27.1084 294.9 27.1077 -13.794 149.695 294.899 149.697 -203.632 GPRESSURE: 3194800 -27.4801 37.565 210.912 3.9614 -56.373 27.5996 176.969 111.653 -153.32 PRESSAVG: 3194800 -14.3188 -12.3249 -54.383 -12.325 -2.88096 -20.9247 -54.383 -20.9246 -4.10268 GPRESSAVG: 3194800 -14.8908 -14.8295 -56.8767 -10.1248 -2.38123 -24.5743 -55.5295 -22.3116 -4.06346 TIMING: 3194800 CPU: 10157, 0.00314622/step Wall: 10157, 0.00314622/step, 1.57765 hours remaining, 233.976562 MB of memory in use. ENERGY: 3194800 4096.9787 20682.0017 14564.2629 248.0155 -202795.3032 2301.7514 0.0000 0.0000 52458.0807 -108444.2122 301.4773 -160902.2930 -108085.4043 301.8722 -107.3026 -79.0578 760745.0660 -7.1008 -7.1118 PRESSURE: 3195000 -216.222 44.515 157.263 44.5144 -93.7498 -149.221 157.262 -149.221 311.63 GPRESSURE: 3195000 -180.803 30.1312 158.698 -5.16145 -40.0278 -160.243 3.84514 -207.743 290.366 PRESSAVG: 3195000 24.8237 -42.6497 9.49256 -42.6497 -6.77951 -25.3293 9.49254 -25.3293 -3.60411 GPRESSAVG: 3195000 24.4956 -41.0112 10.3289 -43.7906 -7.29871 -24.9654 8.68033 -25.9642 -3.13162 TIMING: 3195000 CPU: 10157.7, 0.00313678/step Wall: 10157.7, 0.00313678/step, 1.57275 hours remaining, 233.976562 MB of memory in use. ENERGY: 3195000 3974.6061 20658.6278 14496.2755 235.3116 -202528.4917 2188.5616 0.0000 0.0000 52232.6544 -108742.4548 300.1818 -160975.1092 -108371.1995 301.4759 0.5528 23.1782 761132.7205 4.8133 4.6884 PRESSURE: 3195200 -345.263 -1.12954 -153.423 -1.12981 -67.8562 34.7884 -153.422 34.7882 -91.929 GPRESSURE: 3195200 -167.038 30.8477 -117.993 -17.0984 -189.762 37.3222 -70.7429 18.5841 -47.1081 PRESSAVG: 3195200 8.59765 -11.5683 -19.4648 -11.5683 -48.61 -28.4617 -19.4648 -28.4617 -2.67283 GPRESSAVG: 3195200 9.57936 -9.30562 -19.8286 -12.6736 -49.2602 -27.7307 -19.4295 -26.1988 -3.55381 TIMING: 3195200 CPU: 10158.3, 0.00311447/step Wall: 10158.3, 0.00311447/step, 1.56139 hours remaining, 233.976562 MB of memory in use. ENERGY: 3195200 4031.2178 20690.4504 14527.2613 265.3838 -202749.3396 2307.5718 0.0000 0.0000 52041.8268 -108885.6278 299.0851 -160927.4546 -108535.4028 300.5717 -168.3495 -134.6360 760617.3034 -14.2284 -14.4115 PRESSURE: 3195400 -447.594 -157.994 62.847 -157.994 -344.04 119.644 62.8459 119.646 -237.822 GPRESSURE: 3195400 -455.475 -137.57 11.7348 -175.814 -256.94 124.303 22.3882 73.1082 -226.374 PRESSAVG: 3195400 27.485 -20.77 -29.4493 -20.77 -53.9148 -12.2137 -29.4493 -12.2137 6.75163 GPRESSAVG: 3195400 26.3642 -23.4377 -29.5491 -21.513 -53.7369 -11.6114 -28.1418 -13.9366 7.39421 TIMING: 3195400 CPU: 10158.9, 0.00313559/step Wall: 10158.9, 0.00313559/step, 1.5718 hours remaining, 233.976562 MB of memory in use. ENERGY: 3195400 3902.5913 20618.8185 14505.8660 246.4698 -203096.2212 2260.3150 0.0000 0.0000 52491.0249 -109071.1357 301.6666 -161562.1606 -108698.7482 300.2310 -343.1517 -312.9298 762313.3998 -6.5594 -6.6595 PRESSURE: 3195600 -184.157 -110.217 -29.6457 -110.216 -135.47 32.5493 -29.6455 32.55 -357.242 GPRESSURE: 3195600 -196.563 -26.6639 42.4262 -24.6946 -59.1195 -46.274 -84.3444 -25.6454 -334.334 PRESSAVG: 3195600 -25.4917 -0.546425 5.77571 -0.546449 2.9469 -5.27537 5.77568 -5.27541 1.97938 GPRESSAVG: 3195600 -26.1402 0.542526 5.62876 0.084417 3.37681 -5.28342 3.75694 -6.04094 2.458 TIMING: 3195600 CPU: 10159.6, 0.00313648/step Wall: 10159.6, 0.00313648/step, 1.57207 hours remaining, 233.976562 MB of memory in use. ENERGY: 3195600 3957.8374 20715.0278 14552.0109 236.5277 -203077.1888 2223.9434 0.0000 0.0000 52189.5904 -109202.2512 299.9343 -161391.8416 -108842.9272 300.1485 -225.6228 -196.6723 760717.0067 -6.8551 -6.7685 PRESSURE: 3195800 -233.088 279.42 71.4835 279.42 -82.7521 24.9996 71.4833 24.9997 -301.945 GPRESSURE: 3195800 -156.381 269.69 84.8927 175.062 -4.80678 5.20673 11.6892 2.11466 -377.73 PRESSAVG: 3195800 17.2101 46.1065 -50.7195 46.1065 -2.24495 -5.02512 -50.7195 -5.02507 -2.06009 GPRESSAVG: 3195800 19.2039 46.5484 -49.9368 45.7003 -2.50036 -4.09974 -51.1678 -6.34686 -3.85489 TIMING: 3195800 CPU: 10160.2, 0.00313798/step Wall: 10160.2, 0.00313798/step, 1.57265 hours remaining, 233.976562 MB of memory in use. ENERGY: 3195800 4019.1551 20570.9871 14359.7287 239.1102 -202671.7961 2262.5594 0.0000 0.0000 52039.5041 -109180.7515 299.0717 -161220.2556 -108815.5567 300.1847 -205.9284 -179.6392 762922.0260 4.3017 4.2829 PRESSURE: 3196000 -247.089 -17.2686 15.7238 -17.2682 -60.1898 -13.4979 15.7234 -13.4966 -203.394 GPRESSURE: 3196000 -254.989 -18.6257 102.792 -41.9183 12.5274 -151.847 17.5676 -30.3022 -166.073 PRESSAVG: 3196000 -8.32252 -40.4162 -16.1946 -40.4161 15.203 -83.5436 -16.1947 -83.5436 -0.631985 GPRESSAVG: 3196000 -9.35762 -40.5985 -16.0235 -39.7548 15.2513 -85.8463 -15.0193 -82.6778 -0.00226335 TIMING: 3196000 CPU: 10160.8, 0.00313793/step Wall: 10160.8, 0.00313793/step, 1.57245 hours remaining, 233.976562 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: 3196000 4032.6093 20406.5922 14462.4346 242.5676 -203227.2300 2494.0081 0.0000 0.0000 52242.0304 -109346.9877 300.2357 -161589.0182 -108979.0913 299.7952 -170.2245 -136.1783 761767.1357 2.0828 1.9638 PRESSURE: 3196200 -352.736 -257.275 -147.105 -257.275 122.126 -336.104 -147.105 -336.104 77.2182 GPRESSURE: 3196200 -287.829 -251.433 -60.1303 -129.588 81.1164 -335.559 -164.321 -137.566 147.223 PRESSAVG: 3196200 -50.0548 -93.7961 -56.7278 -93.796 -4.35783 -48.4417 -56.7277 -48.4417 13.3735 GPRESSAVG: 3196200 -51.455 -92.5109 -56.4096 -94.5216 -3.56647 -47.5418 -57.3533 -45.9031 13.6732 TIMING: 3196200 CPU: 10161.4, 0.00312892/step Wall: 10161.4, 0.00312892/step, 1.56776 hours remaining, 233.976562 MB of memory in use. ENERGY: 3196200 4003.1804 20740.3709 14570.0662 261.9912 -203287.0756 2371.5276 0.0000 0.0000 52320.6422 -109019.2971 300.6874 -161339.9393 -108661.0110 300.2081 -51.1305 -19.8301 762776.1760 -13.6797 -13.7827 LDB: ============= START OF LOAD BALANCING ============== 10173.9 LDB: ============== END OF LOAD BALANCING =============== 10173.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10173.9 LDB: ============= START OF LOAD BALANCING ============== 10174.2 LDB: Largest compute 7027 load 0.029508 is 15.1% of average load 0.195616 LDB: Average compute 0.004374 is 2.2% of average load 0.195616 LDB: TIME 10174.2 LOAD: AVG 0.195616 MAX 0.214766 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.598 MB LDB: TIME 10174.2 LOAD: AVG 0.195616 MAX 0.214766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.855 MB LDB: TIME 10174.2 LOAD: AVG 0.195616 MAX 0.214766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.855 MB LDB: ============== END OF LOAD BALANCING =============== 10174.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10174.2 PRESSURE: 3196400 -209.868 64.599 -150.615 64.5984 381.421 -198.762 -150.615 -198.76 -190.104 GPRESSURE: 3196400 -73.9479 12.2278 -164.384 142.114 293.312 -138.754 -164.41 -88.4269 -146.499 PRESSAVG: 3196400 -18.4377 -16.5016 -47.8721 -16.5015 22.2737 -40.7025 -47.8721 -40.7026 -11.1095 GPRESSAVG: 3196400 -16.2192 -17.8102 -47.7349 -16.0484 20.7022 -41.0411 -47.8158 -40.866 -11.3085 TIMING: 3196400 CPU: 10162.1, 0.00320195/step Wall: 10162.1, 0.00320195/step, 1.60418 hours remaining, 233.875000 MB of memory in use. ENERGY: 3196400 4095.6196 20744.7441 14480.8484 248.5453 -203549.3678 2701.1508 0.0000 0.0000 52262.2286 -109016.2311 300.3517 -161278.4597 -108660.7253 300.5950 -6.1839 24.2883 761928.1886 -2.4245 -2.2752 PRESSURE: 3196600 137.408 1.59965 -30.6884 1.59996 237.65 72.8601 -30.6887 72.8587 324.307 GPRESSURE: 3196600 156.259 -115.997 -66.0284 -38.0488 231.394 113.985 -11.7367 26.3132 404.381 PRESSAVG: 3196600 -9.95956 11.8332 9.53583 11.8331 32.6462 -34.8095 9.53576 -34.8095 -22.1969 GPRESSAVG: 3196600 -10.5902 12.5765 8.11762 14.5734 32.399 -34.7119 10.7227 -35.42 -20.9232 TIMING: 3196600 CPU: 10162.7, 0.0031316/step Wall: 10162.7, 0.0031316/step, 1.56876 hours remaining, 234.335938 MB of memory in use. ENERGY: 3196600 3883.2326 20643.1970 14465.9114 233.6972 -202812.5191 2537.8157 0.0000 0.0000 52208.2457 -108840.4195 300.0415 -161048.6653 -108481.1993 300.7840 233.1219 264.0115 762314.7318 0.1632 0.2952 PRESSURE: 3196800 -39.5425 104.133 207.303 104.133 -237.73 271.601 207.302 271.6 399.183 GPRESSURE: 3196800 -20.8948 163.46 176.025 89.8557 -168.658 169.762 113.935 143.191 405.317 PRESSAVG: 3196800 13.2755 38.7317 -20.5214 38.7316 -4.8748 -34.792 -20.5214 -34.7921 12.8492 GPRESSAVG: 3196800 12.9796 38.174 -20.6659 34.0407 -3.49368 -35.2742 -21.1016 -35.8179 11.1745 TIMING: 3196800 CPU: 10163.3, 0.00312409/step Wall: 10163.3, 0.00312409/step, 1.56482 hours remaining, 234.601562 MB of memory in use. ENERGY: 3196800 3954.7375 20732.3068 14490.8227 247.1554 -203093.8125 2590.5580 0.0000 0.0000 52341.7652 -108736.4670 300.8088 -161078.2322 -108365.0523 301.5638 40.6368 71.9213 762545.6202 7.0833 6.8868 PRESSURE: 3197000 18.3935 88.3036 -54.6008 88.3029 303.498 -36.1409 -54.6012 -36.1396 324.755 GPRESSURE: 3197000 149.028 24.2575 -33.0495 117.713 362.456 -18.5877 -99.3783 -49.6745 216.309 PRESSAVG: 3197000 -14.7225 24.9163 -23.9815 24.9163 55.0302 -60.8781 -23.9815 -60.878 -9.36849 GPRESSAVG: 3197000 -15.1126 24.3468 -23.1081 26.5195 55.1678 -58.3267 -24.6091 -62.7882 -9.14169 TIMING: 3197000 CPU: 10164, 0.00312919/step Wall: 10164, 0.00312919/step, 1.5672 hours remaining, 234.613281 MB of memory in use. ENERGY: 3197000 4030.9383 20673.3117 14488.4320 263.6496 -202949.4716 2503.2912 0.0000 0.0000 52416.0331 -108573.8157 301.2357 -160989.8488 -108206.3569 301.5149 215.5486 242.5976 763550.3382 10.3131 10.3045 PRESSURE: 3197200 -185.827 116.303 26.8358 116.303 107.292 -54.4569 26.8358 -54.4574 330.946 GPRESSURE: 3197200 -92.6571 164.121 71.5918 146.925 33.888 -158.898 60.847 -70.4269 407.062 PRESSAVG: 3197200 -28.6963 26.215 16.894 26.2151 30.984 10.7738 16.894 10.7738 10.3056 GPRESSAVG: 3197200 -26.8746 26.2818 16.9256 27.9652 29.3439 9.0486 16.4203 13.7963 10.5406 TIMING: 3197200 CPU: 10164.6, 0.00313305/step Wall: 10164.6, 0.00313305/step, 1.56896 hours remaining, 234.816406 MB of memory in use. ENERGY: 3197200 4063.2392 20390.8416 14462.5808 255.2268 -202908.0232 2419.3669 0.0000 0.0000 52595.4863 -108721.2816 302.2670 -161316.7679 -108344.2047 300.8446 84.1371 116.0978 763185.3368 4.1978 4.3367 PRESSURE: 3197400 -252.669 79.3536 238.865 79.3534 -298.006 183.992 238.865 183.992 -164.936 GPRESSURE: 3197400 -238.983 169.967 213.973 52.9073 -269.843 111.667 235.536 166.488 -130.438 PRESSAVG: 3197400 -21.1415 50.0496 -15.7602 50.0496 22.5017 100.956 -15.7602 100.956 -15.8419 GPRESSAVG: 3197400 -22.9885 49.68 -13.4542 48.4349 25.4016 99.8881 -15.2581 99.8909 -17.2069 TIMING: 3197400 CPU: 10165.2, 0.00313353/step Wall: 10165.2, 0.00313353/step, 1.56903 hours remaining, 234.816406 MB of memory in use. ENERGY: 3197400 4084.4178 20705.7616 14571.2351 255.7715 -202885.3196 2193.9048 0.0000 0.0000 52347.8522 -108726.3766 300.8438 -161074.2288 -108366.2440 300.7608 -238.5373 -213.0880 763667.4218 -4.8272 -4.9313 PRESSURE: 3197600 335.096 11.452 -130.634 11.4516 -2.48091 -54.2539 -130.633 -54.2547 -69.0812 GPRESSURE: 3197600 386.918 148.911 -185.204 -19.3752 -5.64628 -189.481 -95.7383 -78.2375 -14.3663 PRESSAVG: 3197600 -73.8743 16.8709 5.45197 16.871 64.3271 -16.6045 5.4519 -16.6046 0.334593 GPRESSAVG: 3197600 -74.0372 18.8501 2.34674 15.4986 62.8967 -16.6208 6.66874 -14.4277 2.15267 TIMING: 3197600 CPU: 10165.8, 0.0031319/step Wall: 10165.8, 0.0031319/step, 1.56804 hours remaining, 234.816406 MB of memory in use. ENERGY: 3197600 4062.4634 20464.4054 14485.1413 247.1725 -203405.4466 2776.5393 0.0000 0.0000 52407.1724 -108962.5523 301.1847 -161369.7247 -108593.6705 300.8751 87.8446 122.3017 760989.9381 -3.0708 -2.9960 PRESSURE: 3197800 60.8467 -106.134 151.939 -106.135 5.4532 162.877 151.939 162.876 52.1843 GPRESSURE: 3197800 60.277 -61.717 182.119 -48.8574 64.2475 255.464 103.311 -7.94778 79.7351 PRESSAVG: 3197800 -28.392 -12.4764 -8.01107 -12.4764 51.0523 -29.8225 -8.01109 -29.8225 -7.48833 GPRESSAVG: 3197800 -28.8598 -15.8581 -7.02273 -9.77427 50.6116 -29.1766 -9.39793 -30.7473 -6.62062 TIMING: 3197800 CPU: 10166.5, 0.00313524/step Wall: 10166.5, 0.00313524/step, 1.56953 hours remaining, 234.816406 MB of memory in use. ENERGY: 3197800 4077.9704 20686.6435 14437.9387 231.1850 -203313.3271 2575.8441 0.0000 0.0000 52105.3975 -109198.3478 299.4504 -161303.7454 -108849.3936 300.4686 39.4948 68.0865 760513.5979 5.0573 5.0437 PRESSURE: 3198000 -303.478 33.8266 459.1 33.8268 -168.094 89.7527 459.101 89.7535 -9.14782 GPRESSURE: 3198000 -338.572 14.642 402.563 88.9866 -132.044 88.8736 444.319 177.199 79.1254 PRESSAVG: 3198000 -28.7871 -55.5586 -33.0557 -55.5587 51.9099 4.97236 -33.0556 4.97243 -8.22411 GPRESSAVG: 3198000 -29.1509 -54.534 -33.5338 -56.0483 51.7412 7.18521 -31.9477 3.83831 -7.75695 TIMING: 3198000 CPU: 10167.1, 0.00313996/step Wall: 10167.1, 0.00313996/step, 1.57173 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3198000 3983.7272 20723.1156 14475.1447 238.2233 -202596.5759 1932.7804 0.0000 0.0000 52103.7885 -109139.7963 299.4412 -161243.5848 -108780.8318 300.2115 -160.2401 -130.4972 763034.7701 4.9662 4.9445 PRESSURE: 3198200 -190.828 -225.511 -25.1233 -225.512 80.7768 -215.667 -25.1232 -215.667 -145.526 GPRESSURE: 3198200 -216.89 -285.927 52.8701 -155.025 206.293 -231.742 -44.5846 -31.9284 -142.627 PRESSAVG: 3198200 -49.5407 -43.1231 -6.39624 -43.1231 19.4119 19.5148 -6.39624 19.5149 -4.24933 GPRESSAVG: 3198200 -48.932 -40.1545 -5.60215 -45.5174 20.1011 17.9941 -4.68865 20.4028 -5.26823 TIMING: 3198200 CPU: 10167.7, 0.00313337/step Wall: 10167.7, 0.00313337/step, 1.56825 hours remaining, 234.816406 MB of memory in use. ENERGY: 3198200 3999.5739 20533.1913 14509.1217 231.4722 -203149.2591 2451.9835 0.0000 0.0000 52349.8237 -109074.0929 300.8552 -161423.9166 -108704.3523 300.0894 -85.1924 -51.0749 761915.9618 -11.4594 -11.3664 PRESSURE: 3198400 153.503 35.6513 -82.9748 35.6514 295.181 40.2535 -82.9755 40.2546 -95.2531 GPRESSURE: 3198400 180.927 32.9775 -65.678 51.107 304.628 99.3745 -37.7 17.8164 -42.5668 PRESSAVG: 3198400 -59.7717 -65.1599 2.04793 -65.1599 85.1944 10.9628 2.04794 10.9627 -6.47773 GPRESSAVG: 3198400 -60.4643 -67.8883 1.82724 -62.8703 86.0686 11.5458 -0.494706 11.0687 -6.56166 TIMING: 3198400 CPU: 10168.3, 0.00314267/step Wall: 10168.3, 0.00314267/step, 1.57273 hours remaining, 234.816406 MB of memory in use. ENERGY: 3198400 3975.8480 20717.3930 14472.0936 243.4180 -203248.7122 2620.9985 0.0000 0.0000 52267.0440 -108951.9172 300.3794 -161218.9613 -108589.3476 300.3551 117.8101 147.6625 761233.6598 6.3150 6.3476 PRESSURE: 3198600 10.4707 -54.951 36.8875 -54.9518 -51.3729 108.003 36.8875 108.003 43.8751 GPRESSURE: 3198600 49.2605 -44.8105 81.3546 -59.9348 11.1984 207.904 46.5894 17.5022 31.7893 PRESSAVG: 3198600 -57.4004 -10.0686 48.7428 -10.0687 79.3046 48.3568 48.7428 48.3567 17.2442 GPRESSAVG: 3198600 -57.1426 -9.89895 47.276 -10.1123 78.6956 48.2594 49.9489 48.4699 17.3554 TIMING: 3198600 CPU: 10169, 0.0031397/step Wall: 10169, 0.0031397/step, 1.57107 hours remaining, 234.816406 MB of memory in use. ENERGY: 3198600 4033.1999 20440.0360 14484.7090 238.3266 -203247.1586 2585.7844 0.0000 0.0000 52196.1731 -109268.9297 299.9721 -161465.1027 -108896.9430 300.5339 0.9910 30.7494 763001.1401 13.0495 12.9695 PRESSURE: 3198800 -257.984 -79.8535 -125.669 -79.8532 -288.918 -66.3644 -125.669 -66.3641 -469.683 GPRESSURE: 3198800 -289.209 -23.4195 -156.209 -14.5447 -142.771 -80.1758 -57.9883 -38.4144 -478.683 PRESSAVG: 3198800 7.49281 -46.3635 -17.3993 -46.3636 32.6798 -32.866 -17.3992 -32.866 -9.45482 GPRESSAVG: 3198800 7.05198 -47.0027 -15.5654 -46.1178 32.2925 -31.6365 -19.313 -33.0061 -8.83035 TIMING: 3198800 CPU: 10169.6, 0.00315827/step Wall: 10169.6, 0.00315827/step, 1.58019 hours remaining, 234.816406 MB of memory in use. ENERGY: 3198800 3999.3420 20409.9649 14494.5833 247.5806 -202844.0381 2066.9468 0.0000 0.0000 52513.0212 -109112.5992 301.7931 -161625.6204 -108734.7060 300.3246 -338.8616 -303.5544 763180.1079 10.2393 10.1714 PRESSURE: 3199000 191.651 -77.1112 -71.1476 -77.112 -176.547 -310.489 -71.1471 -310.489 461.155 GPRESSURE: 3199000 262.889 -37.4015 -15.0458 -15.7988 -94.8588 -249.199 -113.52 -288.148 387.863 PRESSAVG: 3199000 -9.43263 -14.7021 -18.1171 -14.7021 -32.3355 -41.6009 -18.1172 -41.6009 -12.2297 GPRESSAVG: 3199000 -7.61402 -16.2607 -17.9635 -14.678 -32.6213 -42.9841 -15.8538 -40.6768 -13.9459 TIMING: 3199000 CPU: 10170.2, 0.00313449/step Wall: 10170.2, 0.00313449/step, 1.56812 hours remaining, 234.816406 MB of memory in use. ENERGY: 3199000 3926.0022 20491.0446 14510.3095 226.0028 -203198.4303 2550.6216 0.0000 0.0000 52258.4271 -109236.0226 300.3299 -161494.4496 -108874.8996 300.4088 158.7533 185.2975 762725.5451 -17.9993 -18.0604 PRESSURE: 3199200 117.075 14.4364 106.62 14.4357 -219.648 45.216 106.62 45.2167 485.095 GPRESSURE: 3199200 155.813 -68.9782 120.465 125.774 -91.1004 54.2053 95.4128 16.1711 403.912 PRESSAVG: 3199200 14.0022 -24.9675 13.5848 -24.9675 -6.37524 -27.5026 13.5847 -27.5026 20.975 GPRESSAVG: 3199200 12.1908 -23.3496 15.2196 -24.8315 -5.8416 -27.2984 11.2666 -29.0758 22.1989 TIMING: 3199200 CPU: 10170.9, 0.0031364/step Wall: 10170.9, 0.0031364/step, 1.5689 hours remaining, 234.816406 MB of memory in use. ENERGY: 3199200 3956.1924 20591.9110 14529.6214 254.7702 -202714.3265 2321.9433 0.0000 0.0000 52102.7931 -108957.0950 299.4355 -161059.8882 -108590.9700 300.1633 127.5072 156.2081 762519.0860 9.5340 9.5160 PRESSURE: 3199400 187.708 -156.663 -88.4232 -156.662 -2.6145 149.454 -88.4231 149.455 174.471 GPRESSURE: 3199400 245.522 -71.9844 12.4059 -117.549 38.2269 130.068 -205.586 186.537 146.79 PRESSAVG: 3199400 65.5842 9.43533 18.638 9.43531 -61.731 -49.9946 18.638 -49.9946 -11.4108 GPRESSAVG: 3199400 67.5458 11.2296 17.8868 7.19062 -62.6591 -49.5531 17.4487 -52.5467 -12.3095 TIMING: 3199400 CPU: 10171.5, 0.00314629/step Wall: 10171.5, 0.00314629/step, 1.57367 hours remaining, 234.816406 MB of memory in use. ENERGY: 3199400 3980.8875 20542.3810 14550.8676 229.5726 -202554.6074 2177.0777 0.0000 0.0000 52054.9875 -109018.8336 299.1607 -161073.8211 -108654.5412 300.2204 119.8548 143.5129 764072.3434 -2.5192 -2.4742 PRESSURE: 3199600 258.381 90.4257 74.9203 90.4253 -178.684 153.613 74.9194 153.613 402.622 GPRESSURE: 3199600 289.658 72.8683 44.7988 136.047 -167.185 234.64 88.0764 162.674 432.77 PRESSAVG: 3199600 21.5255 -33.0297 -18.6367 -33.0297 -52.2372 26.3051 -18.6367 26.3051 6.96171 GPRESSAVG: 3199600 20.6323 -33.7023 -18.8471 -31.3333 -50.989 23.4422 -16.9786 28.1361 6.38888 TIMING: 3199600 CPU: 10172.1, 0.00314472/step Wall: 10172.1, 0.00314472/step, 1.57271 hours remaining, 234.816406 MB of memory in use. ENERGY: 3199600 4021.4615 20853.2052 14464.9434 247.9041 -203665.4638 2876.6727 0.0000 0.0000 52152.1707 -109049.1061 299.7192 -161201.2769 -108688.5432 300.0096 160.7733 185.0810 760916.2014 -7.9167 -7.9893 PRESSURE: 3199800 93.6647 36.9455 81.285 36.9452 47.8793 -31.2739 81.2856 -31.2734 -50.3257 GPRESSURE: 3199800 124.419 -11.8378 48.7852 10.8406 102.159 -84.9457 108.982 -84.6394 -29.2889 PRESSAVG: 3199800 32.1865 -98.7096 17.7318 -98.7096 -7.07238 13.1849 17.7319 13.1849 -9.75908 GPRESSAVG: 3199800 33.4276 -101.119 17.6376 -99.0258 -8.78708 15.1835 15.7084 14.6536 -9.53351 TIMING: 3199800 CPU: 10172.7, 0.00312404/step Wall: 10172.7, 0.00312404/step, 1.5622 hours remaining, 234.816406 MB of memory in use. ENERGY: 3199800 3997.1850 20537.2715 14486.2307 247.1067 -203468.1296 2748.4568 0.0000 0.0000 52360.8038 -109091.0750 300.9183 -161451.8789 -108725.5967 300.4810 30.4061 65.7630 760926.8335 5.1183 5.0357 PRESSURE: 3200000 -208.984 -161.562 -6.06534 -161.562 -236.143 156.435 -6.06522 156.435 102.414 GPRESSURE: 3200000 -164.189 -228.164 13.7442 -123.619 -122.593 61.151 -56.3948 204.14 47.2586 PRESSAVG: 3200000 -9.02524 -14.2342 -3.27212 -14.2343 -25.1861 -15.5463 -3.27207 -15.5464 -4.27097 GPRESSAVG: 3200000 -9.85283 -13.5759 -3.6037 -13.8889 -24.0617 -16.2356 -3.14676 -17.3191 -4.5401 TIMING: 3200000 CPU: 10173.4, 0.00314015/step Wall: 10173.4, 0.00314015/step, 1.57007 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3200000 3964.0758 20572.2715 14506.4156 249.0345 -202588.6537 2195.4503 0.0000 0.0000 52011.6865 -109089.7196 298.9119 -161101.4061 -108725.5031 300.1237 -114.2376 -79.8412 761893.2816 -12.8274 -12.8182 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.4.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 -26.2464 -178.057 -150.536 -178.057 322.188 12.6946 -150.536 12.6943 -118.323 GPRESSURE: 3200200 125.418 -169.417 -168.135 -142.422 307.871 42.5921 -182.777 -145.968 -180.089 PRESSAVG: 3200200 52.1243 -23.4905 -22.626 -23.4905 -47.3003 -7.45242 -22.6261 -7.45245 -6.72978 GPRESSAVG: 3200200 51.3402 -22.5092 -20.9006 -22.8222 -46.7485 -5.09352 -20.9408 -8.47307 -6.41389 TIMING: 3200200 CPU: 10174, 0.00323424/step Wall: 10174, 0.00323424/step, 1.61694 hours remaining, 234.816406 MB of memory in use. ENERGY: 3200200 3998.0652 20462.9830 14460.7139 251.1391 -203111.4982 2599.8049 0.0000 0.0000 52244.4304 -109094.3618 300.2495 -161338.7921 -108728.5316 299.9925 59.2061 84.4002 760220.9969 -0.6352 -0.6074 LDB: ============= START OF LOAD BALANCING ============== 10186.4 LDB: ============== END OF LOAD BALANCING =============== 10186.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10186.4 LDB: ============= START OF LOAD BALANCING ============== 10186.7 LDB: Largest compute 7031 load 0.030947 is 15.8% of average load 0.195656 LDB: Average compute 0.004363 is 2.2% of average load 0.195656 LDB: TIME 10186.8 LOAD: AVG 0.195656 MAX 0.215537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.141 MB LDB: TIME 10186.8 LOAD: AVG 0.195656 MAX 0.215537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 10186.8 LOAD: AVG 0.195656 MAX 0.215537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 10186.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10186.8 PRESSURE: 3200400 -235.195 37.2617 22.3164 37.2627 -5.80753 196.698 22.3161 196.699 -311.603 GPRESSURE: 3200400 -220.965 -123.094 -51.1122 59.4082 63.2756 240.662 20.9297 173.625 -328.35 PRESSAVG: 3200400 7.33685 -37.683 86.7006 -37.683 -4.5837 12.8896 86.7006 12.8896 -10.6711 GPRESSAVG: 3200400 6.85516 -38.5101 84.5207 -36.8674 -4.64773 9.0189 88.2537 16.075 -10.1855 TIMING: 3200400 CPU: 10174.7, 0.00319947/step Wall: 10174.7, 0.00319947/step, 1.59938 hours remaining, 233.871094 MB of memory in use. ENERGY: 3200400 3981.8665 20704.7349 14408.0409 235.2562 -202734.4110 2199.4238 0.0000 0.0000 52002.9022 -109202.1864 298.8614 -161205.0886 -108839.1208 299.8783 -184.2019 -162.0133 761112.4485 -2.6393 -2.6593 PRESSURE: 3200600 -270.615 271.066 2.60347 271.067 -267.853 -27.8738 2.60367 -27.8749 161.427 GPRESSURE: 3200600 -214.733 294.32 48.9129 304.371 -206.421 12.2545 -39.2604 76.0871 130.944 PRESSAVG: 3200600 19.4045 -29.6237 18.5017 -29.6238 -23.9035 31.5663 18.5017 31.5664 15.2647 GPRESSAVG: 3200600 20.787 -28.4118 19.0079 -30.3681 -23.2448 33.0881 16.7846 29.9156 13.1245 TIMING: 3200600 CPU: 10175.3, 0.00313833/step Wall: 10175.3, 0.00313833/step, 1.56864 hours remaining, 234.234375 MB of memory in use. ENERGY: 3200600 4016.4104 20447.9116 14490.8332 237.1549 -203033.2508 2443.7415 0.0000 0.0000 52225.9748 -109171.2244 300.1434 -161397.1992 -108808.4037 300.0915 -125.6805 -96.7366 760691.3335 3.5886 3.5555 PRESSURE: 3200800 113.316 202.346 -147.18 202.346 -23.2459 -247.524 -147.18 -247.525 60.3625 GPRESSURE: 3200800 153.397 198.352 -122.876 160.857 -9.35191 -270.355 -17.1564 -175.928 81.4083 PRESSAVG: 3200800 -0.740122 -10.4284 -22.8334 -10.4283 8.63511 36.8914 -22.8335 36.8914 -2.25569 GPRESSAVG: 3200800 -2.53347 -10.0824 -23.4634 -10.9091 7.56922 37.9979 -19.5756 34.8554 0.219525 TIMING: 3200800 CPU: 10175.9, 0.00312257/step Wall: 10175.9, 0.00312257/step, 1.56059 hours remaining, 234.503906 MB of memory in use. ENERGY: 3200800 4002.6926 20431.8812 14407.9171 244.2161 -203052.1637 2440.5523 0.0000 0.0000 52365.2785 -109159.6259 300.9440 -161524.9044 -108798.1700 299.8476 50.1441 75.1512 760594.3375 1.8798 1.7518 PRESSURE: 3201000 33.1421 61.5563 -63.2755 61.5563 226.835 2.29345 -63.2753 2.29395 -263.783 GPRESSURE: 3201000 98.714 23.3886 -49.4902 -25.663 195.209 36.5534 -106.761 60.4151 -234.846 PRESSAVG: 3201000 -18.7066 -9.67108 -11.0112 -9.67111 -4.87609 -3.8217 -11.0113 -3.82171 -16.6642 GPRESSAVG: 3201000 -17.0053 -9.73906 -11.3317 -9.97512 -5.57986 -3.75437 -13.7557 -3.64932 -18.0223 TIMING: 3201000 CPU: 10176.5, 0.0031275/step Wall: 10176.5, 0.0031275/step, 1.56288 hours remaining, 234.503906 MB of memory in use. ENERGY: 3201000 4017.7512 20524.8098 14431.1884 235.7360 -203139.5277 2245.3908 0.0000 0.0000 52179.2719 -109505.3797 299.8750 -161684.6515 -109145.8012 299.5857 -1.2687 19.6925 761427.9525 -13.4156 -13.5358 PRESSURE: 3201200 -279.852 105.448 -59.5455 105.449 -354.646 8.01963 -59.5454 8.02037 302.479 GPRESSURE: 3201200 -190.364 198.38 -150.479 79.1392 -290.156 -6.35359 -105.001 -4.40503 262.414 PRESSAVG: 3201200 13.0071 -62.0972 -8.29075 -62.0973 9.81169 -3.69537 -8.29072 -3.69538 18.5708 GPRESSAVG: 3201200 12.8117 -62.6678 -9.11618 -62.2501 10.2758 -5.7078 -8.23852 -2.41015 17.8047 TIMING: 3201200 CPU: 10177.2, 0.00314574/step Wall: 10177.2, 0.00314574/step, 1.57182 hours remaining, 234.503906 MB of memory in use. ENERGY: 3201200 3958.1801 20397.8174 14481.5741 234.9162 -202973.2033 2256.3839 0.0000 0.0000 51878.4919 -109765.8395 298.1464 -161644.3315 -109401.8581 298.8042 -110.6727 -72.7018 761532.9910 13.7965 13.6307 PRESSURE: 3201400 -165.748 -153.918 144.676 -153.919 -182.704 37.3782 144.676 37.3795 -137.083 GPRESSURE: 3201400 -175.414 -260.158 237.215 -68.792 -90.6872 11.5424 72.6429 -15.9827 -116.518 PRESSAVG: 3201400 -19.9012 -23.8412 -47.2812 -23.8412 -11.9659 -12.9295 -47.2811 -12.9295 24.4116 GPRESSAVG: 3201400 -19.7746 -24.2348 -44.6314 -22.4347 -12.2683 -13.6518 -47.6127 -11.5306 24.2374 TIMING: 3201400 CPU: 10177.8, 0.00314014/step Wall: 10177.8, 0.00314014/step, 1.56885 hours remaining, 234.503906 MB of memory in use. ENERGY: 3201400 4019.7256 20381.4495 14523.1322 230.3162 -203429.0104 2565.2991 0.0000 0.0000 51940.1168 -109768.9710 298.5006 -161709.0878 -109408.2548 298.8077 -161.8452 -127.5399 762345.9802 -2.4852 -2.6018 PRESSURE: 3201600 -454.642 -203.72 -168.216 -203.72 -183.565 178.58 -168.215 178.581 -343.758 GPRESSURE: 3201600 -396.716 -196.301 -152.802 -216.889 -191.437 181.837 -175.919 144.276 -306.118 PRESSAVG: 3201600 40.7088 -28.291 -14.9808 -28.2911 -15.6058 1.56615 -14.9808 1.56616 -14.8753 GPRESSAVG: 3201600 39.7214 -27.1965 -14.7129 -29.8683 -14.4951 3.29561 -15.1551 0.912546 -14.1376 TIMING: 3201600 CPU: 10178.4, 0.00313466/step Wall: 10178.4, 0.00313466/step, 1.56593 hours remaining, 234.503906 MB of memory in use. ENERGY: 3201600 3897.6141 20488.2247 14496.6132 261.0538 -203277.3148 2400.5090 0.0000 0.0000 52186.8996 -109546.4003 299.9188 -161733.2999 -109188.2510 298.9834 -327.3217 -298.0905 762572.5365 3.4092 3.6962 PRESSURE: 3201800 -162.314 -188.551 116.963 -188.551 -403.678 -202.941 116.964 -202.941 -120.085 GPRESSURE: 3201800 -174.94 -207.01 118.474 -170.47 -329.078 -257.047 173.387 -27.5374 -105.914 PRESSAVG: 3201800 21.7612 37.1741 20.3974 37.1741 -10.7166 -8.78161 20.3974 -8.78169 3.75919 GPRESSAVG: 3201800 22.3601 34.667 20.1901 38.3542 -11.6119 -8.37352 21.3208 -10.1693 4.3038 TIMING: 3201800 CPU: 10179, 0.00313733/step Wall: 10179, 0.00313733/step, 1.56709 hours remaining, 234.503906 MB of memory in use. ENERGY: 3201800 3980.8688 20514.9805 14565.7127 242.9356 -202778.2214 2069.4714 0.0000 0.0000 51706.2820 -109697.9703 297.1567 -161404.2523 -109351.6104 298.6627 -228.6924 -203.3105 761767.5219 4.9346 5.0174 PRESSURE: 3202000 -35.2298 139.491 -4.9466 139.491 219.831 -141.514 -4.94616 -141.515 306.378 GPRESSURE: 3202000 -61.4166 209.507 45.3312 93.1143 338.472 -137.742 -81.7185 -201.645 322.564 PRESSAVG: 3202000 -18.1038 -41.3782 8.48891 -41.3782 -2.53297 -28.602 8.48895 -28.6021 16.4768 GPRESSAVG: 3202000 -17.836 -40.8921 6.3911 -40.749 -2.50273 -29.4931 7.17329 -26.9539 16.547 TIMING: 3202000 CPU: 10179.7, 0.00311241/step Wall: 10179.7, 0.00311241/step, 1.55447 hours remaining, 234.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3202000 3998.6839 20337.7656 14471.2408 242.8829 -203790.0397 2757.7748 0.0000 0.0000 52055.6466 -109926.0451 299.1645 -161981.6916 -109551.2817 298.6587 163.6598 199.8730 759477.0895 -1.3866 -1.2639 PRESSURE: 3202200 -202.106 -268.366 -13.3578 -268.367 -215.626 -91.6303 -13.3575 -91.6296 -103.884 GPRESSURE: 3202200 -128.426 -54.5628 20.0701 -275.341 -184.605 8.96787 87.1886 -113.746 -110.84 PRESSAVG: 3202200 -13.5424 28.6633 30.8246 28.6633 -8.58846 -11.1067 30.8246 -11.1067 -5.0052 GPRESSAVG: 3202200 -13.2264 29.6948 32.9479 28.0873 -9.21958 -9.45927 30.9918 -10.0752 -5.5241 TIMING: 3202200 CPU: 10180.3, 0.00313588/step Wall: 10180.3, 0.00313588/step, 1.56602 hours remaining, 234.503906 MB of memory in use. ENERGY: 3202200 3922.6240 20520.6682 14454.2141 237.1462 -203203.4048 2406.2541 0.0000 0.0000 52158.2797 -109504.2185 299.7544 -161662.4982 -109135.7129 298.4962 -173.8718 -141.2902 761261.5505 -9.0454 -9.3234 PRESSURE: 3202400 102.034 -58.0828 -141.256 -58.0826 76.206 156.898 -141.257 156.899 -315.341 GPRESSURE: 3202400 60.4855 -49.3531 -214.598 -209.679 64.7786 190.224 -162.188 93.12 -178.311 PRESSAVG: 3202400 -41.377 8.38586 27.5017 8.38585 57.7487 10.6504 27.5017 10.6503 -13.5233 GPRESSAVG: 3202400 -42.9108 6.34441 27.4902 9.6387 58.7911 9.27089 29.1339 6.9114 -13.0385 TIMING: 3202400 CPU: 10180.9, 0.00312623/step Wall: 10180.9, 0.00312623/step, 1.56103 hours remaining, 234.503906 MB of memory in use. ENERGY: 3202400 4085.7200 20524.6019 14456.9787 257.0359 -203490.2875 2789.4593 0.0000 0.0000 51836.6493 -109539.8423 297.9059 -161376.4917 -109183.1615 299.3921 -45.7001 -17.6823 759589.4098 0.9495 0.9473 PRESSURE: 3202600 -54.7563 -4.9117 7.1371 -4.91087 -78.3183 -205.13 7.13681 -205.13 -173.973 GPRESSURE: 3202600 6.77209 -23.2334 -41.5369 -101.567 -21.3994 -167.678 -45.042 -308.479 -197.35 PRESSAVG: 3202600 -0.00645337 -46.2962 -14.0895 -46.2963 -16.6747 -40.2301 -14.0895 -40.2301 5.75053 GPRESSAVG: 3202600 1.08783 -44.1162 -13.9382 -48.785 -17.069 -38.7055 -15.7425 -40.2178 5.40737 TIMING: 3202600 CPU: 10181.5, 0.0031307/step Wall: 10181.5, 0.0031307/step, 1.56309 hours remaining, 234.503906 MB of memory in use. ENERGY: 3202600 4052.2879 20587.3149 14475.7336 253.9844 -203499.6970 2620.5376 0.0000 0.0000 51948.4194 -109561.4192 298.5483 -161509.8386 -109208.8624 299.4929 -102.3491 -70.6590 760485.8675 -3.6436 -3.5246 PRESSURE: 3202800 59.7595 -68.4002 113.338 -68.4006 210.143 33.3105 113.338 33.3103 -261.393 GPRESSURE: 3202800 101.009 -39.681 72.6509 -84.2703 216.291 75.7629 156.582 61.2064 -232.208 PRESSAVG: 3202800 -49.3501 -27.0759 -4.70606 -27.0759 16.6526 -23.3416 -4.70601 -23.3416 4.33439 GPRESSAVG: 3202800 -50.4162 -27.989 -5.22123 -26.7777 17.1897 -25.3752 -4.1741 -22.2363 4.74147 TIMING: 3202800 CPU: 10182.2, 0.0031058/step Wall: 10182.2, 0.0031058/step, 1.55048 hours remaining, 234.503906 MB of memory in use. ENERGY: 3202800 3955.5405 20448.4642 14434.2011 248.8185 -203541.0153 2693.1039 0.0000 0.0000 52142.1258 -109618.7614 299.6615 -161760.8872 -109244.9852 299.2328 2.8364 28.3641 760362.7966 -9.4544 -9.4950 PRESSURE: 3203000 -247.613 -158.121 -61.4846 -158.12 37.6942 -25.4808 -61.4842 -25.4808 -319.03 GPRESSURE: 3203000 -199.429 -111.187 -32.0706 -253.913 23.6122 30.2994 -89.267 -32.7927 -258.86 PRESSAVG: 3203000 75.8756 -30.3986 9.46417 -30.3986 14.3764 -5.79958 9.46421 -5.79954 11.816 GPRESSAVG: 3203000 77.0946 -29.947 8.88509 -29.9528 13.3511 -6.0863 11.5584 -3.93062 12.0175 TIMING: 3203000 CPU: 10182.8, 0.00311707/step Wall: 10182.8, 0.00311707/step, 1.55594 hours remaining, 234.503906 MB of memory in use. ENERGY: 3203000 4034.1023 20399.5373 14488.1931 256.5321 -202574.6113 2114.3925 0.0000 0.0000 52000.4816 -109281.3724 298.8475 -161281.8540 -108911.2379 299.8916 -176.3163 -144.8923 760687.5594 34.0227 34.1544 PRESSURE: 3203200 144.621 24.6759 -169.525 24.6759 81.5438 -226.339 -169.525 -226.339 -310.861 GPRESSURE: 3203200 147.627 -58.3523 -189.424 29.4574 85.2545 -208.001 -243.548 -2.83538 -222.26 PRESSAVG: 3203200 -8.82644 9.34713 34.0436 9.34713 4.93156 28.8101 34.0437 28.8101 9.813 GPRESSAVG: 3203200 -9.57093 10.1415 34.6359 8.66492 7.26439 29.2375 30.0405 28.3489 8.19765 TIMING: 3203200 CPU: 10183.4, 0.00314478/step Wall: 10183.4, 0.00314478/step, 1.5696 hours remaining, 234.503906 MB of memory in use. ENERGY: 3203200 4011.4181 20656.1280 14374.5284 227.7237 -203234.2773 2544.2468 0.0000 0.0000 52015.2223 -109405.0101 298.9322 -161420.2324 -109052.5847 299.6754 -28.2320 3.5405 760234.3006 1.9727 1.9637 PRESSURE: 3203400 -42.0438 44.0329 68.3696 44.033 -189.428 -91.1461 68.3692 -91.1459 154.268 GPRESSURE: 3203400 -27.5519 135.811 118.077 -88.5706 -172.54 -129.706 74.7379 -112.099 225.754 PRESSAVG: 3203400 67.442 58.1468 -3.42901 58.1468 36.5559 -17.1613 -3.42905 -17.1612 11.3612 GPRESSAVG: 3203400 67.3629 57.1393 -4.99771 58.0404 35.7992 -15.9181 -1.62782 -18.6428 12.0956 TIMING: 3203400 CPU: 10184, 0.00312972/step Wall: 10184, 0.00312972/step, 1.56191 hours remaining, 234.503906 MB of memory in use. ENERGY: 3203400 4016.3698 20498.1193 14454.0285 252.5588 -203101.9614 2374.2855 0.0000 0.0000 52304.9530 -109201.6465 300.5973 -161506.5995 -108841.1787 300.3366 -25.7347 8.5541 759313.0666 38.4530 38.4193 PRESSURE: 3203600 -212.018 -157.564 49.7229 -157.562 45.7165 195.636 49.7241 195.636 -87.4052 GPRESSURE: 3203600 -114.809 -5.34293 83.327 -118.823 118.008 103.691 24.9963 178.663 -166.905 PRESSAVG: 3203600 38.3966 -13.8538 -83.0196 -13.8538 -64.1741 19.9699 -83.0196 19.9698 9.71216 GPRESSAVG: 3203600 37.3832 -14.5418 -81.6038 -14.6598 -63.2538 19.8265 -84.0552 21.1975 9.87728 TIMING: 3203600 CPU: 10184.7, 0.00312725/step Wall: 10184.7, 0.00312725/step, 1.5605 hours remaining, 234.503906 MB of memory in use. ENERGY: 3203600 3901.8132 20560.2130 14555.7699 254.3797 -203194.0675 2457.1108 0.0000 0.0000 52282.9297 -109181.8511 300.4707 -161464.7808 -108808.5822 300.1545 -84.5688 -54.5685 761040.2827 -5.3551 -5.3311 PRESSURE: 3203800 -117.36 162.06 -212.4 162.061 -2.71117 3.20444 -212.4 3.20497 101.573 GPRESSURE: 3203800 -184.797 103.123 -85.124 156.509 84.4178 -10.3508 -180.847 113.812 158.854 PRESSAVG: 3203800 79.0488 -36.653 16.9177 -36.653 -89.2968 56.1227 16.9176 56.1227 10.5914 GPRESSAVG: 3203800 79.803 -33.9606 16.5051 -36.3354 -89.9962 55.2539 18.7359 55.8396 11.0946 TIMING: 3203800 CPU: 10185.3, 0.00310714/step Wall: 10185.3, 0.00310714/step, 1.55029 hours remaining, 234.503906 MB of memory in use. ENERGY: 3203800 4004.2196 20628.1086 14442.5755 253.1633 -202977.7401 2214.7280 0.0000 0.0000 52070.6441 -109364.3009 299.2507 -161434.9450 -109006.5374 300.8141 -6.1659 19.4916 760435.3280 0.1145 0.3004 PRESSURE: 3204000 212.561 72.911 205.489 72.9115 -106.283 13.7563 205.489 13.7555 86.4275 GPRESSURE: 3204000 294.192 -63.237 233.308 -13.1369 -132.664 10.7976 212.75 1.36215 130.087 PRESSAVG: 3204000 -93.7008 -28.0386 28.4164 -28.0385 -17.0719 -34.8878 28.4164 -34.8878 -4.0294 GPRESSAVG: 3204000 -92.5916 -30.0148 28.9558 -28.1863 -18.3104 -35.2117 28.1197 -33.9269 -4.0541 TIMING: 3204000 CPU: 10185.9, 0.00312289/step Wall: 10185.9, 0.00312289/step, 1.55797 hours remaining, 234.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3204000 3961.6528 20612.5938 14523.7836 237.2270 -203007.6017 2154.6104 0.0000 0.0000 52195.4928 -109322.2412 299.9682 -161517.7340 -108955.8209 300.3254 64.2351 97.2048 759373.0313 -38.2674 -38.3187 PRESSURE: 3204200 -73.0381 19.9766 -42.3707 19.9758 -77.7713 274.412 -42.3707 274.413 -268.549 GPRESSURE: 3204200 -28.7295 -96.097 -26.821 7.82141 -25.612 277.751 5.56886 291.428 -271.855 PRESSAVG: 3204200 5.70532 -29.165 13.873 -29.165 10.4218 11.8836 13.873 11.8835 12.6745 GPRESSAVG: 3204200 4.22153 -29.4873 12.7039 -27.9533 11.5384 13.793 13.4749 10.4164 13.0012 TIMING: 3204200 CPU: 10186.5, 0.00311694/step Wall: 10186.5, 0.00311694/step, 1.55483 hours remaining, 234.503906 MB of memory in use. ENERGY: 3204200 4036.1502 20569.5578 14432.2339 225.8111 -203186.2618 2522.5817 0.0000 0.0000 52024.3916 -109375.5355 298.9849 -161399.9271 -109013.6245 300.1053 -139.7861 -108.7321 761322.7452 9.6006 9.5870 LDB: ============= START OF LOAD BALANCING ============== 10199 LDB: ============== END OF LOAD BALANCING =============== 10199 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10199 LDB: ============= START OF LOAD BALANCING ============== 10199.3 LDB: Largest compute 7038 load 0.029108 is 14.9% of average load 0.195617 LDB: Average compute 0.004379 is 2.2% of average load 0.195617 LDB: TIME 10199.3 LOAD: AVG 0.195617 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.559 MB LDB: TIME 10199.3 LOAD: AVG 0.195617 MAX 0.215283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 10199.3 LOAD: AVG 0.195617 MAX 0.215283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 10199.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10199.3 PRESSURE: 3204400 -378.795 255.05 -243.428 255.049 129.519 -129.038 -243.428 -129.037 -400.846 GPRESSURE: 3204400 -358.434 174.056 -271.627 206.045 90.0119 -179.775 -161.93 -2.21583 -307.382 PRESSAVG: 3204400 14.2634 -63.2349 35.1027 -63.2349 -31.8526 -7.15143 35.1028 -7.15146 -17.0694 GPRESSAVG: 3204400 16.1591 -63.859 35.6798 -63.6225 -33.9376 -8.06098 35.6519 -5.18755 -17.1354 TIMING: 3204400 CPU: 10187.2, 0.00318249/step Wall: 10187.2, 0.00318249/step, 1.58736 hours remaining, 232.589844 MB of memory in use. ENERGY: 3204400 4038.9783 20353.7625 14485.3725 245.2459 -203332.5125 2612.5262 0.0000 0.0000 52500.6128 -109096.0144 301.7217 -161596.6272 -108731.4241 300.4366 -216.7071 -191.9348 761467.6754 -11.5529 -11.6379 PRESSURE: 3204600 -239.198 68.9272 -127.248 68.9267 -222.932 102.812 -127.248 102.812 -151.115 GPRESSURE: 3204600 -169.897 -58.1108 -60.7132 130.942 -202.667 81.8163 -116.257 60.7987 -148.556 PRESSAVG: 3204600 12.9765 -4.65664 -3.63275 -4.65667 -6.14953 -50.4617 -3.63276 -50.4618 0.918939 GPRESSAVG: 3204600 12.2299 -3.35385 -3.51923 -4.4067 -4.77955 -49.9667 -4.02598 -51.7205 0.33773 TIMING: 3204600 CPU: 10187.8, 0.00311579/step Wall: 10187.8, 0.0031158/step, 1.55392 hours remaining, 232.988281 MB of memory in use. ENERGY: 3204600 4056.3552 20492.3170 14444.8669 238.6610 -202775.8803 2266.9610 0.0000 0.0000 52215.4532 -109061.2659 300.0829 -161276.7191 -108693.7946 300.4590 -204.4151 -173.7065 761334.6584 2.5820 2.5960 PRESSURE: 3204800 102.143 -26.9651 124.09 -26.9651 -31.3296 -49.19 124.09 -49.19 -111.617 GPRESSURE: 3204800 142.851 13.4701 141.42 78.9035 -52.6157 32.6479 31.5807 -29.9344 -40.0042 PRESSAVG: 3204800 13.042 -53.4225 -40.7775 -53.4225 -0.854527 24.6416 -40.7775 24.6417 -13.089 GPRESSAVG: 3204800 13.4496 -52.8172 -40.1871 -56.2989 -1.75962 24.3998 -42.8454 23.4436 -12.7408 TIMING: 3204800 CPU: 10188.4, 0.00311842/step Wall: 10188.4, 0.00311842/step, 1.55505 hours remaining, 232.988281 MB of memory in use. ENERGY: 3204800 4009.4931 20320.7550 14446.2355 233.9769 -203030.0872 2372.3976 0.0000 0.0000 52204.1701 -109443.0590 300.0181 -161647.2291 -109079.7999 299.8704 -13.6012 16.7438 760824.4439 -0.3005 -0.3502 PRESSURE: 3205000 -78.0462 -67.5525 -98.9881 -67.5524 -129.562 -122.676 -98.9883 -122.675 -160.453 GPRESSURE: 3205000 -62.1953 -184.707 -45.4447 30.4157 -52.3802 -156.713 -47.3152 -57.9137 -144.971 PRESSAVG: 3205000 29.8356 -58.3533 -40.2907 -58.3533 -9.68927 -13.3825 -40.2908 -13.3825 2.78703 GPRESSAVG: 3205000 29.4739 -59.3114 -40.9333 -56.2119 -9.23298 -14.2316 -36.8449 -11.7147 2.63218 TIMING: 3205000 CPU: 10189, 0.00312559/step Wall: 10189, 0.00312559/step, 1.55845 hours remaining, 232.988281 MB of memory in use. ENERGY: 3205000 3972.3881 20589.3467 14456.9790 228.7074 -202865.5825 2171.0115 0.0000 0.0000 51905.0327 -109542.1170 298.2989 -161447.1497 -109185.2997 299.4486 -122.6870 -86.5157 760289.6171 7.6444 7.6244 PRESSURE: 3205200 -198.147 -32.3725 251.479 -32.3722 221.163 99.3241 251.479 99.3247 -59.5201 GPRESSURE: 3205200 -272.037 -53.0818 178.433 -75.675 395.091 -1.90717 290.582 28.063 -69.2724 PRESSAVG: 3205200 -22.7016 -54.7873 -0.749328 -54.7874 38.3086 -83.2468 -0.749337 -83.2468 17.109 GPRESSAVG: 3205200 -22.8378 -54.9594 -1.18235 -54.2469 38.2088 -82.0911 -1.77777 -81.7273 17.5216 TIMING: 3205200 CPU: 10189.7, 0.00313668/step Wall: 10189.7, 0.00313668/step, 1.56381 hours remaining, 232.988281 MB of memory in use. ENERGY: 3205200 3982.4365 20470.3065 14548.6360 232.9910 -202871.7727 2203.3760 0.0000 0.0000 51918.0217 -109516.0049 298.3736 -161434.0267 -109147.7229 299.7614 -12.1679 17.9272 758954.8335 10.9053 10.9642 PRESSURE: 3205400 219.585 -40.6899 -83.7838 -40.6892 288.757 25.6066 -83.7842 25.6054 -161.837 GPRESSURE: 3205400 221.65 -37.835 -165.062 -97.8422 288.195 109.336 42.2808 19.4615 -76.9028 PRESSAVG: 3205400 -0.202965 -70.8381 4.65756 -70.8382 44.5292 -30.9319 4.65758 -30.9319 -6.0704 GPRESSAVG: 3205400 0.282263 -69.3616 5.02117 -71.1093 44.9531 -31.5911 4.23482 -34.1051 -6.98754 TIMING: 3205400 CPU: 10190.3, 0.00313372/step Wall: 10190.3, 0.00313372/step, 1.56216 hours remaining, 232.988281 MB of memory in use. ENERGY: 3205400 3942.4528 20332.4794 14462.0293 240.9988 -202898.6745 2382.3910 0.0000 0.0000 51950.9109 -109587.4124 298.5626 -161538.3232 -109215.9579 299.2584 115.5017 144.3140 761125.7776 12.7520 12.7493 PRESSURE: 3205600 -95.7114 47.3626 -18.4345 47.3617 -184.958 -274.143 -18.4341 -274.143 -330.52 GPRESSURE: 3205600 -94.8597 57.1492 -43.7848 98.1976 -125.837 -356.385 132.555 -161.278 -288.824 PRESSAVG: 3205600 -15.6044 -0.928807 -3.71308 -0.928844 -6.76038 -15.7798 -3.71304 -15.7798 19.424 GPRESSAVG: 3205600 -16.2992 -1.77354 -2.56187 0.378311 -6.75966 -16.205 -4.3729 -13.7445 20.0528 TIMING: 3205600 CPU: 10190.9, 0.00313192/step Wall: 10190.9, 0.00313192/step, 1.56109 hours remaining, 233.058594 MB of memory in use. ENERGY: 3205600 3960.9938 20377.1563 14427.3439 250.0508 -202926.1316 2266.0048 0.0000 0.0000 52065.2890 -109579.2930 299.2199 -161644.5819 -109213.5650 299.2265 -203.7298 -169.8405 761727.9335 -0.9803 -1.0020 PRESSURE: 3205800 -290.856 123.718 -77.6231 123.719 -352.531 188.941 -77.6238 188.942 92.1775 GPRESSURE: 3205800 -176.6 125.35 -54.9911 63.4396 -390.101 140.334 -165.78 76.0654 117.324 PRESSAVG: 3205800 -14.1573 50.1983 25.8406 50.1984 -11.2595 -17.2777 25.8405 -17.2777 15.8767 GPRESSAVG: 3205800 -14.5722 50.5036 23.9709 49.4429 -10.9916 -18.2815 26.4123 -17.7154 15.6718 TIMING: 3205800 CPU: 10191.6, 0.00313559/step Wall: 10191.6, 0.00313559/step, 1.56274 hours remaining, 233.058594 MB of memory in use. ENERGY: 3205800 4011.2441 20471.8466 14424.4992 238.6729 -203003.3575 2334.7036 0.0000 0.0000 51916.4097 -109605.9813 298.3643 -161522.3911 -109241.2392 299.3902 -183.7368 -149.7920 761115.6027 -3.1800 -3.2973 PRESSURE: 3206000 -195.809 18.6182 96.422 18.6184 45.143 98.1844 96.4217 98.1838 -140.619 GPRESSURE: 3206000 -29.4875 -40.6941 50.6617 38.8198 -3.46217 150.864 64.2646 -47.1071 -165.921 PRESSAVG: 3206000 36.8762 19.2797 7.57303 19.2797 -38.7414 -12.1871 7.57299 -12.187 -7.15018 GPRESSAVG: 3206000 37.8723 16.9423 6.77838 19.6339 -40.87 -11.0191 6.11489 -11.7927 -6.25309 TIMING: 3206000 CPU: 10192.2, 0.00313531/step Wall: 10192.2, 0.00313531/step, 1.56243 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3206000 3998.9980 20540.2923 14430.1944 266.1722 -203495.2247 2516.7230 0.0000 0.0000 51917.6505 -109825.1944 298.3715 -161742.8449 -109472.8039 298.6289 -97.0949 -66.2903 760810.2388 -3.0051 -3.0836 PRESSURE: 3206200 199.412 -97.9467 244.173 -97.9463 297.594 174.505 244.172 174.504 44.082 GPRESSURE: 3206200 274.255 -102.517 155.295 -112.123 266.588 204.973 252.458 243.633 89.6235 PRESSAVG: 3206200 17.1778 3.75893 -23.5532 3.75895 -2.96769 5.30774 -23.5532 5.30772 4.70987 GPRESSAVG: 3206200 17.463 6.29891 -20.4286 3.29415 -2.53105 4.36262 -21.4911 5.78723 4.16176 TIMING: 3206200 CPU: 10192.8, 0.00314393/step Wall: 10192.8, 0.00314393/step, 1.56655 hours remaining, 233.058594 MB of memory in use. ENERGY: 3206200 3926.6991 20534.6775 14421.0799 257.2096 -203295.3749 2465.4313 0.0000 0.0000 51922.1143 -109768.1632 298.3971 -161690.2775 -109411.5792 298.2669 180.3624 210.1553 760980.5257 6.3067 6.3646 PRESSURE: 3206400 24.1628 -82.9937 -18.6517 -82.9938 -81.8428 -147.887 -18.6512 -147.886 -292.325 GPRESSURE: 3206400 109.943 -14.5723 -100.101 -96.741 -92.0018 -182.731 -27.1162 -173.915 -291.533 PRESSAVG: 3206400 6.99846 -51.041 -37.5983 -51.041 -17.8021 -26.2678 -37.5982 -26.2678 5.08438 GPRESSAVG: 3206400 4.64349 -52.9764 -40.4435 -50.598 -16.8155 -24.7839 -37.7073 -28.039 6.5889 TIMING: 3206400 CPU: 10193.4, 0.00314657/step Wall: 10193.4, 0.00314657/step, 1.56769 hours remaining, 233.058594 MB of memory in use. ENERGY: 3206400 3992.9798 20494.0423 14498.7720 240.5334 -203444.4522 2473.1232 0.0000 0.0000 51897.4719 -109847.5296 298.2555 -161745.0015 -109487.6335 298.7513 -116.6682 -91.1972 761751.4257 -1.9064 -1.8610 PRESSURE: 3206600 -106.522 208.006 51.2534 208.005 -132.87 78.7464 51.2543 78.7458 477.968 GPRESSURE: 3206600 -62.5708 217.66 125.056 9.69761 -34.8523 138.975 0.887488 -31.4014 427.643 PRESSAVG: 3206600 -33.5408 -32.0126 -37.3085 -32.0125 -29.7011 -6.92585 -37.3085 -6.92588 -16.6697 GPRESSAVG: 3206600 -31.4929 -31.9847 -36.3883 -31.1777 -29.8627 -6.89818 -37.8164 -5.45918 -18.1214 TIMING: 3206600 CPU: 10194.1, 0.00312553/step Wall: 10194.1, 0.00312553/step, 1.55703 hours remaining, 233.058594 MB of memory in use. ENERGY: 3206600 3958.1804 20383.0524 14502.5449 236.1148 -203490.9951 2610.2623 0.0000 0.0000 52038.6359 -109762.2043 299.0668 -161800.8402 -109400.6009 298.5379 79.5253 110.0733 760398.5160 -26.6372 -26.4923 PRESSURE: 3206800 -106.277 64.5575 128.545 64.5585 68.9892 -226.983 128.546 -226.981 207.831 GPRESSURE: 3206800 9.04889 -14.6513 83.7049 40.6443 50.6414 -151.116 119.998 -355.007 199.583 PRESSAVG: 3206800 45.9113 -42.33 19.4171 -42.33 0.00234568 -42.5915 19.4171 -42.5914 -12.2636 GPRESSAVG: 3206800 45.9383 -40.0798 18.2146 -41.5169 0.281246 -44.1358 19.8645 -42.6728 -12.0949 TIMING: 3206800 CPU: 10194.7, 0.00311422/step Wall: 10194.7, 0.00311422/step, 1.55123 hours remaining, 233.113281 MB of memory in use. ENERGY: 3206800 3919.0490 20603.4712 14424.7621 258.6762 -203317.1362 2396.1574 0.0000 0.0000 51985.7597 -109729.2607 298.7629 -161715.0203 -109377.8252 299.0048 56.8478 86.4243 761620.5150 11.2167 11.3749 PRESSURE: 3207000 -9.27194 -144.067 -92.6182 -144.066 -262.928 -162.583 -92.618 -162.583 279.507 GPRESSURE: 3207000 51.7805 -145.615 -24.4667 -136.05 -208.415 -123.822 -53.253 -268.229 273.866 PRESSAVG: 3207000 -76.8773 -27.8175 15.0726 -27.8175 30.7621 -28.3541 15.0726 -28.3541 -27.4372 GPRESSAVG: 3207000 -76.1096 -30.0209 17.2287 -28.1431 29.8147 -26.6001 16.0649 -29.3335 -27.877 TIMING: 3207000 CPU: 10195.3, 0.00314634/step Wall: 10195.3, 0.00314634/step, 1.56705 hours remaining, 233.113281 MB of memory in use. ENERGY: 3207000 3896.5055 20541.4763 14428.4128 275.6050 -203443.1324 2488.1561 0.0000 0.0000 52088.9236 -109724.0531 299.3558 -161812.9768 -109363.0324 298.9972 2.4357 39.0772 759385.9132 -24.5175 -24.7239 PRESSURE: 3207200 -49.4205 -16.0903 67.6691 -16.0908 185.44 -185.74 67.6684 -185.741 -102.679 GPRESSURE: 3207200 27.0422 -123.862 -57.1057 -69.911 126.755 -142.296 30.019 -180.073 -27.3663 PRESSAVG: 3207200 10.6401 -52.4599 19.986 -52.4599 13.2477 -82.1095 19.9859 -82.1095 -7.68347 GPRESSAVG: 3207200 9.14841 -51.8333 19.1323 -52.1147 13.3398 -81.6163 18.0314 -82.5471 -6.53507 TIMING: 3207200 CPU: 10195.9, 0.0031495/step Wall: 10195.9, 0.0031495/step, 1.56845 hours remaining, 233.113281 MB of memory in use. ENERGY: 3207200 3934.1581 20408.2108 14466.3667 248.4531 -203448.9531 2295.6334 0.0000 0.0000 52102.8381 -109993.2928 299.4357 -162096.1309 -109627.3165 298.8830 11.1136 42.1435 759647.0689 5.4015 5.3177 PRESSURE: 3207400 -119.308 41.7824 3.75508 41.7821 160.552 -251.772 3.75466 -251.771 98.5046 GPRESSURE: 3207400 -107.639 -84.0489 -86.1558 114.459 139.518 -257.568 139.036 -116.757 183.668 PRESSAVG: 3207400 32.9778 -16.45 29.3159 -16.45 -19.3386 -48.6641 29.3159 -48.664 -11.2453 GPRESSAVG: 3207400 32.5197 -16.8192 28.8952 -17.3313 -19.2539 -50.6819 33.0338 -46.108 -11.1386 TIMING: 3207400 CPU: 10196.6, 0.00314824/step Wall: 10196.6, 0.00314823/step, 1.56765 hours remaining, 233.113281 MB of memory in use. ENERGY: 3207400 3917.4456 20385.0645 14454.9076 254.9263 -203019.2240 2118.7439 0.0000 0.0000 52103.3225 -109784.8136 299.4385 -161888.1361 -109420.2659 298.5443 46.5827 71.8488 760662.0967 0.7980 0.7091 PRESSURE: 3207600 -168.903 -94.2613 -101.349 -94.2615 155.445 -116.091 -101.349 -116.091 34.5695 GPRESSURE: 3207600 -43.6341 -25.0757 -10.3597 31.4281 183.934 -92.7359 1.62356 -197.552 -53.4908 PRESSAVG: 3207600 -22.5197 0.670414 34.3644 0.670439 39.3597 -93.478 34.3644 -93.478 21.113 GPRESSAVG: 3207600 -20.4319 1.80631 35.2389 0.221622 38.2842 -93.7149 32.894 -94.4475 20.1592 TIMING: 3207600 CPU: 10197.2, 0.00310453/step Wall: 10197.2, 0.00310453/step, 1.54571 hours remaining, 233.113281 MB of memory in use. ENERGY: 3207600 3951.8035 20439.2842 14487.4696 249.6952 -203103.1342 2177.4118 0.0000 0.0000 52059.1605 -109738.3094 299.1847 -161797.4700 -109380.5296 298.4656 7.0372 28.9364 759683.6898 12.6510 12.6705 PRESSURE: 3207800 46.6682 -161.88 -55.0503 -161.88 157.434 157.859 -55.0509 157.859 -217.406 GPRESSURE: 3207800 191.904 -117.696 -45.1704 -145.596 72.5317 163.103 -59.0804 75.581 -186.614 PRESSAVG: 3207800 -14.7901 5.69583 18.9569 5.69579 20.7301 -12.5248 18.9569 -12.5247 -7.07376 GPRESSAVG: 3207800 -14.1373 6.51379 18.34 6.93821 21.3462 -10.1697 18.4477 -14.0624 -7.51382 TIMING: 3207800 CPU: 10197.8, 0.00312798/step Wall: 10197.8, 0.00312798/step, 1.55721 hours remaining, 233.113281 MB of memory in use. ENERGY: 3207800 4051.0742 20437.8376 14438.5630 238.5058 -203296.0046 2429.4671 0.0000 0.0000 51854.4091 -109846.1477 298.0080 -161700.5569 -109484.9296 298.5511 -4.4346 25.9408 760963.7267 -0.3779 -0.1016 PRESSURE: 3208000 17.1636 34.7272 78.905 34.7278 -87.0504 58.1416 78.905 58.1425 -30.9566 GPRESSURE: 3208000 -65.4314 -30.3679 88.4275 -3.01128 57.4317 -1.23186 185.253 100.329 -2.21389 PRESSAVG: 3208000 -17.2306 -17.8248 11.7587 -17.8248 60.1024 -41.164 11.7587 -41.164 5.28271 GPRESSAVG: 3208000 -18.8016 -18.4419 12.4488 -20.498 60.3499 -42.6532 12.4084 -39.4019 6.42031 TIMING: 3208000 CPU: 10198.4, 0.00312738/step Wall: 10198.4, 0.00312738/step, 1.55674 hours remaining, 233.113281 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: 3208000 3982.4551 20395.7959 14491.7465 258.1360 -203741.4548 2722.5385 0.0000 0.0000 52235.9739 -109654.8091 300.2009 -161890.7830 -109301.8541 298.7664 -33.6145 -3.4045 761055.1086 16.0515 15.9896 PRESSURE: 3208200 -197.405 -51.3287 24.7735 -51.3286 0.768696 29.8578 24.7736 29.8578 -123.664 GPRESSURE: 3208200 -108.671 -111.592 115.12 -121.717 2.42873 6.03931 3.6487 29.7942 -134.729 PRESSAVG: 3208200 -33.9179 -59.7291 10.9823 -59.7292 -22.2362 0.478737 10.9823 0.478813 -0.512916 GPRESSAVG: 3208200 -34.6406 -58.1948 11.0205 -58.685 -22.4878 0.396605 11.0224 -1.99468 0.462334 TIMING: 3208200 CPU: 10199.1, 0.00312397/step Wall: 10199.1, 0.00312397/step, 1.55487 hours remaining, 233.113281 MB of memory in use. ENERGY: 3208200 3944.9250 20474.7901 14457.6582 252.2598 -202722.7559 2112.8512 0.0000 0.0000 51938.9116 -109541.3601 298.4936 -161480.2717 -109186.4814 299.1112 -106.7665 -80.3238 762083.4349 -18.8890 -18.8887 LDB: ============= START OF LOAD BALANCING ============== 10211.5 LDB: ============== END OF LOAD BALANCING =============== 10211.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10211.5 LDB: ============= START OF LOAD BALANCING ============== 10211.8 LDB: Largest compute 7058 load 0.033027 is 16.9% of average load 0.195600 LDB: Average compute 0.004372 is 2.2% of average load 0.195600 LDB: TIME 10211.8 LOAD: AVG 0.1956 MAX 0.217315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 10211.8 LOAD: AVG 0.1956 MAX 0.217315 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 10211.8 LOAD: AVG 0.1956 MAX 0.217315 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 10211.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10211.8 PRESSURE: 3208400 52.5258 -34.6208 -71.5544 -34.6208 -14.2432 6.85498 -71.5551 6.85373 298.33 GPRESSURE: 3208400 134.727 -30.2077 -74.4211 -58.1914 -71.5767 -30.8905 42.5485 116.696 382.038 PRESSAVG: 3208400 -7.9558 -4.33517 -19.3994 -4.33516 33.3994 -37.2756 -19.3994 -37.2755 1.73722 GPRESSAVG: 3208400 -8.65301 -5.62823 -20.5325 -1.34273 34.4356 -36.5017 -19.0487 -35.5837 1.61448 TIMING: 3208400 CPU: 10199.7, 0.00319982/step Wall: 10199.7, 0.00319982/step, 1.59245 hours remaining, 233.304688 MB of memory in use. ENERGY: 3208400 4019.6101 20386.5193 14518.5347 231.7852 -203201.1336 2312.3862 0.0000 0.0000 52154.4236 -109577.8745 299.7322 -161732.2981 -109219.8882 299.6491 112.2043 148.3960 760102.1315 9.0603 9.1324 PRESSURE: 3208600 -285.427 50.8993 -170.785 50.8989 -444.261 -91.0506 -170.785 -91.0499 -595.649 GPRESSURE: 3208600 -214.594 -41.8657 -99.7669 24.1574 -365.901 -85.2657 -68.6058 -6.7177 -663.558 PRESSAVG: 3208600 -23.0401 -20.6917 33.5591 -20.6916 -3.51671 -6.27244 33.5591 -6.27246 -8.62699 GPRESSAVG: 3208600 -22.429 -20.8376 35.0501 -21.6932 -3.23151 -8.27219 33.4501 -5.70678 -9.7654 TIMING: 3208600 CPU: 10200.3, 0.00311728/step Wall: 10200.3, 0.00311728/step, 1.55119 hours remaining, 233.562500 MB of memory in use. ENERGY: 3208600 4046.2961 20455.9596 14567.2295 251.6897 -203399.8034 2214.3794 0.0000 0.0000 52127.5688 -109736.6803 299.5779 -161864.2491 -109379.4051 299.2168 -441.7790 -414.6843 760640.6397 -11.7279 -11.8086 PRESSURE: 3208800 -62.24 -48.6237 222.293 -48.6241 244.107 8.22624 222.293 8.22483 -60.1543 GPRESSURE: 3208800 1.41777 -17.1156 150.318 -18.3721 300.898 -15.0623 228.953 17.8479 -109.538 PRESSAVG: 3208800 -4.88266 -46.4139 -39.3219 -46.4139 -3.84631 -23.3808 -39.322 -23.3809 4.67527 GPRESSAVG: 3208800 -3.96312 -47.5023 -39.89 -45.9432 -5.85496 -21.6697 -39.5541 -24.1584 5.8287 TIMING: 3208800 CPU: 10201, 0.00311813/step Wall: 10201, 0.00311813/step, 1.55144 hours remaining, 233.562500 MB of memory in use. ENERGY: 3208800 3970.6852 20657.7559 14502.2180 262.2696 -203448.1181 2201.1292 0.0000 0.0000 52117.4257 -109736.6344 299.5196 -161854.0601 -109374.1543 299.2185 40.5710 64.2591 759450.1237 -1.3512 -1.3298 PRESSURE: 3209000 -350.107 -20.562 -86.5982 -20.5613 -181.475 16.2039 -86.5987 16.203 -197.072 GPRESSURE: 3209000 -342.33 59.8337 -118.115 -73.2539 -103.899 -41.5677 65.8126 34.8789 -201.504 PRESSAVG: 3209000 -5.70403 -8.57867 40.6893 -8.57861 41.7626 -29.8524 40.6893 -29.8524 -11.6787 GPRESSAVG: 3209000 -7.29502 -8.18237 40.977 -7.74775 44.0649 -28.735 41.0959 -29.1374 -12.6318 TIMING: 3209000 CPU: 10201.6, 0.00311621/step Wall: 10201.6, 0.00311621/step, 1.55031 hours remaining, 233.562500 MB of memory in use. ENERGY: 3209000 4005.2588 20354.6336 14484.2509 238.9442 -203513.9164 2295.0383 0.0000 0.0000 52059.6947 -110076.0959 299.1878 -162135.7906 -109721.2770 299.0832 -242.8846 -215.9110 759269.0693 8.1266 8.0460 PRESSURE: 3209200 -135.046 -46.7727 212.725 -46.7731 -302.202 -143.131 212.725 -143.132 234.185 GPRESSURE: 3209200 -94.755 -126.187 195.865 -10.2455 -205.508 -201.449 119.088 -127.191 180.227 PRESSAVG: 3209200 15.606 -65.6978 16.1329 -65.6978 -10.4101 -5.21694 16.1328 -5.21693 8.16272 GPRESSAVG: 3209200 16.4979 -64.9263 14.159 -66.8217 -11.3105 -7.91427 14.8122 -3.81328 8.03699 TIMING: 3209200 CPU: 10202.2, 0.00311315/step Wall: 10202.2, 0.00311315/step, 1.54862 hours remaining, 233.562500 MB of memory in use. ENERGY: 3209200 4009.9473 20327.6419 14486.0105 243.3300 -203458.1119 2296.9721 0.0000 0.0000 52105.5234 -109988.6868 299.4512 -162094.2102 -109630.7842 298.4031 -67.6877 -40.0121 758451.9603 4.4529 4.4081 PRESSURE: 3209400 -238.509 213.822 177.071 213.822 -475.42 46.2761 177.07 46.2765 -252.918 GPRESSURE: 3209400 -249.47 188.087 182.238 185.971 -339.105 74.8377 304.469 17.1005 -274.473 PRESSAVG: 3209400 -11.9635 -25.8678 10.6853 -25.8677 40.0256 -29.0758 10.6853 -29.0757 33.6876 GPRESSAVG: 3209400 -12.9201 -25.1502 12.1031 -26.7391 39.7379 -27.742 10.6832 -32.643 34.8088 TIMING: 3209400 CPU: 10202.8, 0.00310531/step Wall: 10202.8, 0.00310531/step, 1.54455 hours remaining, 233.562500 MB of memory in use. ENERGY: 3209400 4041.0981 20439.7218 14541.2747 254.1480 -203409.6610 2145.2182 0.0000 0.0000 52083.3513 -109904.8489 299.3237 -161988.2002 -109552.5151 298.3115 -322.2822 -287.6828 759684.6259 20.5832 20.5422 PRESSURE: 3209600 20.3331 -1.35104 124.424 -1.35141 -3.62168 -62.1295 124.424 -62.1295 195.657 GPRESSURE: 3209600 153.378 56.9201 152.379 -26.0581 -65.5459 -25.7763 101.716 -50.5621 218.042 PRESSAVG: 3209600 39.9528 6.67198 -13.0314 6.67197 -41.2887 1.31327 -13.0314 1.31329 13.5925 GPRESSAVG: 3209600 41.1445 7.5995 -13.7399 7.44729 -40.7709 1.01427 -13.0097 3.12859 12.4253 TIMING: 3209600 CPU: 10203.5, 0.00312901/step Wall: 10203.5, 0.00312901/step, 1.55616 hours remaining, 233.562500 MB of memory in use. ENERGY: 3209600 3955.0471 20322.2905 14566.4845 255.4612 -203575.9740 2528.4609 0.0000 0.0000 52038.5913 -109909.6385 299.0665 -161948.2298 -109541.3149 298.8278 70.7895 101.9578 761645.4328 4.0856 4.2663 PRESSURE: 3209800 233.565 235.298 67.9079 235.298 284.222 -56.5331 67.908 -56.5334 41.1232 GPRESSURE: 3209800 337.433 242.2 -42.0528 121.066 295.511 1.08755 35.5315 -174.625 31.1677 PRESSAVG: 3209800 -11.5726 3.57907 37.1509 3.57905 17.34 6.08954 37.1509 6.08961 -9.69407 GPRESSAVG: 3209800 -11.1662 1.28855 37.2603 3.90256 17.0742 6.26084 37.4166 4.27041 -9.45414 TIMING: 3209800 CPU: 10204.1, 0.00312571/step Wall: 10204.1, 0.00312571/step, 1.55435 hours remaining, 233.562500 MB of memory in use. ENERGY: 3209800 3963.4043 20433.9801 14464.3902 242.2410 -203677.1283 2621.4510 0.0000 0.0000 52164.6523 -109787.0094 299.7910 -161951.6617 -109434.1340 299.1831 186.3037 221.3707 759602.9112 -1.3089 -1.1820 PRESSURE: 3210000 237.138 -43.8246 29.5592 -43.825 -78.8021 -91.853 29.5588 -91.8518 478.091 GPRESSURE: 3210000 322.398 -90.0391 9.12294 32.4351 -113.959 -23.23 40.9963 -198.833 520.264 PRESSAVG: 3210000 81.9576 10.954 -38.4497 10.9541 -49.2721 4.13951 -38.4497 4.13952 21.217 GPRESSAVG: 3210000 80.8719 12.6764 -38.0652 11.4802 -48.2608 6.55916 -35.8971 6.85397 21.4184 TIMING: 3210000 CPU: 10204.7, 0.00311523/step Wall: 10204.7, 0.00311523/step, 1.54896 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3210000 3974.4562 20463.0535 14474.4895 241.5757 -203151.4705 2395.9056 0.0000 0.0000 51769.1154 -109832.8745 297.5178 -161601.9900 -109464.9875 298.5856 212.1425 242.9010 759253.0321 17.9675 18.0098 PRESSURE: 3210200 114.372 -168.02 93.2938 -168.02 18.6884 -101.613 93.2927 -101.613 19.589 GPRESSURE: 3210200 266.21 -159.355 146.274 -184.963 -33.4582 -94.5359 -9.90169 -143.693 4.27968 PRESSAVG: 3210200 13.8259 33.1767 5.3761 33.1767 25.0943 -36.829 5.37608 -36.829 8.16172 GPRESSAVG: 3210200 14.7114 32.582 5.86242 31.3175 24.952 -38.4837 3.57867 -39.3761 7.68387 TIMING: 3210200 CPU: 10205.3, 0.00311925/step Wall: 10205.3, 0.00311925/step, 1.55079 hours remaining, 233.562500 MB of memory in use. ENERGY: 3210200 4046.9377 20499.3983 14539.9099 243.1697 -203178.8134 2149.4155 0.0000 0.0000 51946.5927 -109753.3896 298.5378 -161699.9824 -109406.7846 298.5586 50.8830 79.0103 760109.5003 15.6940 15.7824 PRESSURE: 3210400 372.04 234.221 -306.455 234.221 409.008 147.599 -306.455 147.599 253.566 GPRESSURE: 3210400 285.242 286.099 -312.254 337.511 488.901 163.139 -217.19 237.133 327.326 PRESSAVG: 3210400 -29.2864 4.96341 13.6213 4.96339 0.70127 -76.4763 13.6214 -76.4762 1.17624 GPRESSAVG: 3210400 -29.5535 6.39518 13.3099 8.12236 0.542771 -77.5895 11.9468 -75.5218 1.08916 TIMING: 3210400 CPU: 10205.9, 0.00312308/step Wall: 10205.9, 0.00312308/step, 1.55252 hours remaining, 233.562500 MB of memory in use. ENERGY: 3210400 3913.5969 20375.9573 14476.0539 235.0710 -203733.3426 2611.3489 0.0000 0.0000 52252.2450 -109869.0696 300.2944 -162121.3146 -109507.1942 298.4419 344.8712 367.1561 761112.5724 -9.1363 -9.3072 PRESSURE: 3210600 71.0912 8.99678 -2.79522 8.99643 130.264 -135.885 -2.79496 -135.884 335.189 GPRESSURE: 3210600 127.716 -46.2764 40.638 -41.3522 224.174 -73.5314 -98.3864 -174.042 255.146 PRESSAVG: 3210600 27.0186 37.7922 -33.65 37.7922 13.9988 -72.1426 -33.65 -72.1427 -2.1582 GPRESSAVG: 3210600 27.0298 35.4458 -34.3573 36.9113 14.4714 -72.2764 -33.0698 -70.1594 -3.0462 TIMING: 3210600 CPU: 10206.6, 0.00311604/step Wall: 10206.6, 0.00311604/step, 1.54885 hours remaining, 233.562500 MB of memory in use. ENERGY: 3210600 3991.4970 20467.3701 14554.6506 265.1020 -203394.1852 2485.3331 0.0000 0.0000 52012.3112 -109617.9212 298.9155 -161630.2325 -109264.3849 298.7047 178.8482 202.3454 762563.0078 12.9531 12.8184 PRESSURE: 3210800 -248.198 -60.3207 4.73608 -60.3202 104.36 114.601 4.73581 114.601 -323.745 GPRESSURE: 3210800 -116.115 -76.1158 90.0456 -99.2747 79.13 110.055 10.9372 107.282 -340.067 PRESSAVG: 3210800 -2.73419 -21.6485 9.89959 -21.6485 17.0196 -24.1945 9.89955 -24.1944 -15.1853 GPRESSAVG: 3210800 -2.77637 -21.2009 9.86604 -20.2803 17.4878 -22.4559 10.0909 -25.3644 -15.4723 TIMING: 3210800 CPU: 10207.2, 0.00311898/step Wall: 10207.2, 0.00311898/step, 1.55013 hours remaining, 233.562500 MB of memory in use. ENERGY: 3210800 4041.2577 20461.5443 14485.1942 249.9551 -203194.3670 2284.3740 0.0000 0.0000 51988.3146 -109683.7273 298.7776 -161672.0419 -109338.8507 299.0844 -155.8608 -125.6842 760511.6006 -0.3000 -0.2536 PRESSURE: 3211000 173.14 33.1443 15.608 33.1443 -28.0536 -141.088 15.6075 -141.088 247.678 GPRESSURE: 3211000 154.427 -48.7535 5.1536 6.51939 -7.11257 -168.992 38.1421 -86.8312 326.596 PRESSAVG: 3211000 15.1617 -59.4777 31.131 -59.4777 -41.7415 24.4999 31.131 24.5 -29.0054 GPRESSAVG: 3211000 13.9512 -58.5319 30.0558 -62.5064 -41.6134 23.178 33.2614 23.9962 -27.7685 TIMING: 3211000 CPU: 10207.8, 0.00312056/step Wall: 10207.8, 0.00312056/step, 1.55075 hours remaining, 233.562500 MB of memory in use. ENERGY: 3211000 3984.9914 20590.8602 14567.7304 244.0646 -203578.4599 2538.0345 0.0000 0.0000 52026.5554 -109626.2234 298.9973 -161652.7789 -109263.9944 299.1349 130.9214 157.9699 759232.2020 -18.5284 -18.4769 PRESSURE: 3211200 -319.873 -4.94286 -40.1952 -4.94365 -313.892 17.2251 -40.1956 17.2256 -112.758 GPRESSURE: 3211200 -214.813 -29.4034 -65.457 -90.9731 -276.64 27.3244 -9.75805 115.25 -154.068 PRESSAVG: 3211200 10.4086 -19.868 14.6733 -19.868 -22.6732 -15.0117 14.6733 -15.0118 23.4306 GPRESSAVG: 3211200 11.9275 -20.4696 14.359 -16.3999 -23.9475 -13.5308 11.5924 -15.1083 23.4241 TIMING: 3211200 CPU: 10208.4, 0.00312631/step Wall: 10208.4, 0.00312631/step, 1.55343 hours remaining, 233.562500 MB of memory in use. ENERGY: 3211200 3957.8790 20603.9844 14473.5364 248.4047 -203048.2249 2245.2435 0.0000 0.0000 51875.6262 -109643.5507 298.1299 -161519.1769 -109292.5354 299.9110 -248.8409 -215.1733 759395.5568 3.7220 3.8014 PRESSURE: 3211400 209.844 140.081 -17.8477 140.081 -182.135 159.7 -17.8475 159.7 134.848 GPRESSURE: 3211400 137.719 173.251 -65.7438 178.684 -40.3288 11.6244 110.238 92.2915 154.781 PRESSAVG: 3211400 21.6745 -32.5886 0.946409 -32.5886 0.25508 80.1654 0.946439 80.1655 -12.4555 GPRESSAVG: 3211400 21.1224 -32.7984 1.54669 -33.1732 -0.0398016 77.3341 2.73437 82.5084 -12.0974 TIMING: 3211400 CPU: 10209.1, 0.00311276/step Wall: 10209.1, 0.00311276/step, 1.54652 hours remaining, 233.562500 MB of memory in use. ENERGY: 3211400 4095.1239 20425.4643 14451.0563 235.3352 -203416.6352 2614.8228 0.0000 0.0000 51934.1223 -109660.7104 298.4661 -161594.8327 -109292.5286 299.9390 54.1859 84.0572 758854.3200 3.1580 2.9951 PRESSURE: 3211600 24.6432 35.0062 222.54 35.0051 -115.476 -5.18418 222.54 -5.18414 -30.6318 GPRESSURE: 3211600 120.225 0.986699 248.987 -89.0075 -90.7918 37.5999 103.092 84.5763 -67.8751 PRESSAVG: 3211600 24.1389 -25.6782 28.1877 -25.6782 -36.0728 -31.5966 28.1877 -31.5966 -15.6438 GPRESSAVG: 3211600 24.6659 -22.4175 28.9951 -29.0995 -36.1289 -29.1794 27.4642 -32.5806 -16.0783 TIMING: 3211600 CPU: 10209.7, 0.00311614/step Wall: 10209.7, 0.00311614/step, 1.54803 hours remaining, 233.562500 MB of memory in use. ENERGY: 3211600 3981.6306 20527.8138 14455.2234 249.1962 -203421.6398 2480.8645 0.0000 0.0000 52087.5332 -109639.3781 299.3478 -161726.9112 -109288.4878 299.3128 -40.4881 -12.8139 758789.1375 -9.1925 -9.1804 PRESSURE: 3211800 -171.077 -36.2321 246.542 -36.2316 31.8685 -156.084 246.542 -156.083 -327.575 GPRESSURE: 3211800 -84.7797 94.7466 285.38 -37.6937 62.3211 -190.853 149.373 -115.673 -346.494 PRESSAVG: 3211800 38.1799 -24.9591 19.8588 -24.9591 -22.3418 23.7075 19.8588 23.7075 -9.2128 GPRESSAVG: 3211800 38.3041 -26.5326 20.1914 -22.5302 -22.2717 23.282 18.5951 21.7735 -9.03124 TIMING: 3211800 CPU: 10210.3, 0.00310081/step Wall: 10210.3, 0.00310081/step, 1.54024 hours remaining, 233.562500 MB of memory in use. ENERGY: 3211800 3971.2129 20485.6005 14424.5740 259.4958 -203212.4446 2631.7958 0.0000 0.0000 52047.0067 -109392.7588 299.1149 -161439.7655 -109025.7974 299.6632 -155.5945 -122.9841 761481.4945 2.2085 2.3337 PRESSURE: 3212000 -72.285 41.7328 -119.915 41.7331 -161.621 -85.3889 -119.914 -85.3881 -26.4248 GPRESSURE: 3212000 -102.114 44.4905 -128.475 163.228 -82.6868 -181.068 -40.6535 -195.692 7.18238 PRESSAVG: 3212000 0.550253 -58.0693 42.4646 -58.0693 -12.8506 24.4643 42.4647 24.4643 1.77247 GPRESSAVG: 3212000 0.200637 -57.5213 41.7351 -58.8065 -12.4818 24.5153 44.9787 24.8109 1.6605 TIMING: 3212000 CPU: 10210.9, 0.0031153/step Wall: 10210.9, 0.0031153/step, 1.54726 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3212000 3971.1947 20595.2982 14456.7547 235.6130 -203251.8147 2351.3679 0.0000 0.0000 52394.2744 -109247.3118 301.1106 -161641.5862 -108876.0156 299.4374 -86.7770 -59.2062 762234.9325 -3.5093 -3.5402 PRESSURE: 3212200 -264.277 17.1176 77.23 17.1177 -61.158 -39.2516 77.2304 -39.2498 -201.244 GPRESSURE: 3212200 -175.007 78.5838 -6.05243 69.3591 -26.0198 29.416 33.506 -49.194 -236.797 PRESSAVG: 3212200 2.86239 5.18077 29.6029 5.18067 21.165 -48.7047 29.6029 -48.7047 -4.08077 GPRESSAVG: 3212200 2.3785 4.33025 29.5368 5.05634 21.0862 -47.4163 27.7041 -48.2256 -2.91067 TIMING: 3212200 CPU: 10211.6, 0.00311904/step Wall: 10211.6, 0.00311904/step, 1.54895 hours remaining, 233.562500 MB of memory in use. ENERGY: 3212200 3984.2281 20451.4323 14553.0842 233.3971 -203075.5644 2575.0362 0.0000 0.0000 52065.3842 -109213.0023 299.2205 -161278.3865 -108845.6085 300.0580 -175.5597 -145.9413 761902.2291 6.6489 6.8513 LDB: ============= START OF LOAD BALANCING ============== 10224 LDB: ============== END OF LOAD BALANCING =============== 10224 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10224 LDB: ============= START OF LOAD BALANCING ============== 10224.3 LDB: Largest compute 7058 load 0.031665 is 16.2% of average load 0.195493 LDB: Average compute 0.004395 is 2.2% of average load 0.195493 LDB: TIME 10224.3 LOAD: AVG 0.195493 MAX 0.214304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 10224.3 LOAD: AVG 0.195493 MAX 0.214304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: TIME 10224.3 LOAD: AVG 0.195493 MAX 0.214304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: ============== END OF LOAD BALANCING =============== 10224.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10224.3 PRESSURE: 3212400 -137.104 -4.94066 -15.6923 -4.94084 -88.004 -245.105 -15.6918 -245.103 -472.691 GPRESSURE: 3212400 -51.328 -35.8087 -65.8133 -65.088 -133.824 -312.019 5.74904 -142.472 -415.575 PRESSAVG: 3212400 -50.5285 -35.514 27.7029 -35.514 23.1404 -42.6396 27.7029 -42.6396 -11.0222 GPRESSAVG: 3212400 -49.102 -37.6755 29.9957 -35.0506 22.9068 -44.5323 25.6644 -42.9918 -11.9968 TIMING: 3212400 CPU: 10212.2, 0.00319609/step Wall: 10212.2, 0.00319609/step, 1.58703 hours remaining, 234.511719 MB of memory in use. ENERGY: 3212400 3928.8156 20479.1381 14536.3135 242.9375 -203270.2934 2385.6116 0.0000 0.0000 52518.2124 -109179.2647 301.8229 -161697.4771 -108808.3344 299.9302 -232.5997 -200.2422 761217.1454 -12.8034 -12.7307 PRESSURE: 3212600 148.078 102.261 -21.3394 102.261 17.1542 -136.949 -21.3388 -136.95 264.285 GPRESSURE: 3212600 87.3848 31.2581 26.8272 149.584 108.789 -134.576 -9.68193 -78.6385 326.405 PRESSAVG: 3212600 15.5996 -2.12265 13.5949 -2.12261 -31.1383 -62.8464 13.595 -62.8465 6.21697 GPRESSAVG: 3212600 14.4841 0.508887 12.1168 -2.59892 -30.164 -61.8699 15.9488 -61.563 6.37058 TIMING: 3212600 CPU: 10212.8, 0.00311829/step Wall: 10212.8, 0.00311829/step, 1.54823 hours remaining, 234.714844 MB of memory in use. ENERGY: 3212600 4065.8858 20618.8501 14474.9041 247.8925 -203509.3084 2812.8362 0.0000 0.0000 52032.8606 -109256.0791 299.0336 -161288.9398 -108896.0607 299.9384 143.1724 174.1929 762834.1768 -3.1073 -3.1031 PRESSURE: 3212800 -183.152 70.7595 -121.466 70.76 111.134 225.015 -121.465 225.016 346.36 GPRESSURE: 3212800 -126.683 74.9381 -166.326 70.9213 149.757 203.777 -81.9978 114.32 331.996 PRESSAVG: 3212800 -30.679 39.6856 12.6904 39.6855 42.4815 34.2956 12.6904 34.2956 -9.41464 GPRESSAVG: 3212800 -30.2436 40.7521 13.2964 37.2139 41.4938 34.0631 12.2815 34.4368 -8.85898 TIMING: 3212800 CPU: 10213.4, 0.00311783/step Wall: 10213.4, 0.00311783/step, 1.54783 hours remaining, 234.714844 MB of memory in use. ENERGY: 3212800 4021.8100 20582.7147 14553.1571 274.0611 -203023.3938 2337.1755 0.0000 0.0000 51852.6541 -109401.8213 297.9979 -161254.4755 -109048.5922 299.4564 91.4477 118.3569 761306.8257 0.7960 0.7971 PRESSURE: 3213000 -90.133 26.3786 59.7434 26.3785 -218.533 71.1027 59.7435 71.1032 -686.178 GPRESSURE: 3213000 -77.029 -71.5188 108.622 70.0736 -172.065 138.061 99.4993 149.165 -649.574 PRESSAVG: 3213000 -6.37338 -48.0839 -27.6214 -48.084 6.25394 22.0029 -27.6214 22.0028 16.2466 GPRESSAVG: 3213000 -7.14614 -49.5168 -28.7153 -45.2793 7.67289 22.9031 -25.9574 21.5439 16.1245 TIMING: 3213000 CPU: 10214.1, 0.00310575/step Wall: 10214.1, 0.00310575/step, 1.54166 hours remaining, 234.714844 MB of memory in use. ENERGY: 3213000 4068.0117 20434.4679 14434.1591 275.1312 -203222.1790 2403.1952 0.0000 0.0000 52248.2590 -109358.9550 300.2715 -161607.2140 -108989.1300 299.1839 -331.6148 -299.5560 761063.9741 5.3757 5.5504 PRESSURE: 3213200 185.593 224.653 -51.3938 224.653 40.6078 -199.014 -51.3941 -199.013 -138.725 GPRESSURE: 3213200 170.945 163.502 -78.554 107.076 106.133 -202.421 -171.476 -30.2227 -101.562 PRESSAVG: 3213200 -3.17339 -1.55303 -49.7412 -1.55304 27.8267 -6.74065 -49.7412 -6.74069 1.78143 GPRESSAVG: 3213200 -2.29632 0.0655989 -49.4734 -3.07935 28.199 -8.09349 -49.858 -4.69274 0.632567 TIMING: 3213200 CPU: 10214.7, 0.003116/step Wall: 10214.7, 0.003116/step, 1.54657 hours remaining, 234.714844 MB of memory in use. ENERGY: 3213200 4032.4803 20675.0443 14470.2857 238.6246 -203381.7454 2630.2906 0.0000 0.0000 52208.6363 -109126.3837 300.0438 -161335.0200 -108769.6738 300.0648 29.1586 58.5055 762188.8284 8.8116 8.8451 PRESSURE: 3213400 8.24945 -213.928 -126.491 -213.928 -16.3091 -164.261 -126.492 -164.261 10.0259 GPRESSURE: 3213400 -48.8607 -296.557 -87.4129 -224.983 75.6789 -190.106 -88.3034 -34.2754 74.8667 PRESSAVG: 3213400 -52.564 -0.404866 3.63716 -0.40483 12.4551 -12.1484 3.63726 -12.1484 5.95264 GPRESSAVG: 3213400 -51.88 -2.03766 1.55215 0.557966 11.9666 -12.8198 3.13512 -13.4665 5.55626 TIMING: 3213400 CPU: 10215.3, 0.00311025/step Wall: 10215.3, 0.00311025/step, 1.54355 hours remaining, 234.714844 MB of memory in use. ENERGY: 3213400 4022.2971 20621.4022 14495.7049 253.7861 -203313.9597 2496.4107 0.0000 0.0000 52179.7056 -109244.6531 299.8775 -161424.3587 -108891.3010 300.0327 0.6554 33.8949 762203.7145 -11.3854 -11.4524 PRESSURE: 3213600 -15.9052 -171.732 281.985 -171.733 72.5665 -5.36667 281.985 -5.36687 -164.92 GPRESSURE: 3213600 35.0706 -158.992 262.003 -120.891 40.6752 8.62274 207.488 -31.9833 -96.8578 PRESSAVG: 3213600 45.7976 5.76308 -25.7207 5.76315 -37.9451 -2.27529 -25.7207 -2.27527 -7.83911 GPRESSAVG: 3213600 46.0792 5.10875 -23.5029 6.41295 -38.9517 -1.43812 -26.866 -1.74827 -7.19362 TIMING: 3213600 CPU: 10215.9, 0.0031062/step Wall: 10215.9, 0.0031062/step, 1.54137 hours remaining, 234.714844 MB of memory in use. ENERGY: 3213600 3963.5355 20532.0614 14442.3027 241.6463 -202973.9454 2270.8158 0.0000 0.0000 52300.3557 -109223.2280 300.5709 -161523.5836 -108850.6925 299.8904 -36.0861 -7.0373 761640.2821 0.0045 -0.0220 PRESSURE: 3213800 62.4308 -67.5297 34.6759 -67.5312 -241.663 68.636 34.6754 68.6352 -38.6668 GPRESSURE: 3213800 143.292 -4.47822 42.995 -15.7941 -215.501 83.7454 112.254 49.0194 -60.72 PRESSAVG: 3213800 31.9482 -12.3553 45.9727 -12.3554 -19.9337 -48.7714 45.9727 -48.7715 1.71501 GPRESSAVG: 3213800 32.353 -11.3538 45.434 -11.6568 -18.4929 -48.7442 48.0904 -48.7952 0.0139701 TIMING: 3213800 CPU: 10216.6, 0.00311579/step Wall: 10216.6, 0.00311579/step, 1.54595 hours remaining, 234.714844 MB of memory in use. ENERGY: 3213800 4001.6932 20568.7515 14572.1374 233.5882 -202883.9899 2164.9997 0.0000 0.0000 52135.1520 -109207.6679 299.6214 -161342.8199 -108838.8646 300.0726 -72.6331 -44.3099 762055.8692 4.5765 4.6247 PRESSURE: 3214000 -344.345 253.931 -263.616 253.931 -76.0725 -171.725 -263.616 -171.724 -56.4403 GPRESSURE: 3214000 -289.267 166.637 -302.035 241.294 -90.0471 -85.3383 -256.702 7.33886 -20.9438 PRESSAVG: 3214000 -17.8814 -5.32129 9.61434 -5.32126 10.2578 -64.5821 9.61435 -64.5822 -24.0795 GPRESSAVG: 3214000 -17.9018 -6.42 11.4611 -5.46813 9.30033 -64.0712 7.10539 -64.6055 -23.1984 TIMING: 3214000 CPU: 10217.2, 0.0031152/step Wall: 10217.2, 0.0031152/step, 1.54548 hours remaining, 234.714844 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: 3214000 3966.2155 20533.0729 14523.7572 257.6536 -203330.8748 2403.5237 0.0000 0.0000 52269.5003 -109377.1516 300.3935 -161646.6519 -109012.5289 299.4191 -158.9527 -133.4194 761832.0657 -10.5677 -10.6000 PRESSURE: 3214200 -104.932 1.67419 5.9946 1.67433 -177.263 -330.507 5.99412 -330.507 -199.639 GPRESSURE: 3214200 -66.7667 -18.0615 -94.0065 14.2267 -131.386 -397.213 135.743 -247.171 -175.434 PRESSAVG: 3214200 -20.2493 -21.3249 -2.70798 -21.325 24.0029 2.61948 -2.70797 2.61947 5.85199 GPRESSAVG: 3214200 -20.6798 -20.0872 -4.66096 -23.3127 23.0995 1.99951 -1.45818 3.64927 7.44227 TIMING: 3214200 CPU: 10217.8, 0.00312809/step Wall: 10217.8, 0.00312809/step, 1.55171 hours remaining, 234.714844 MB of memory in use. ENERGY: 3214200 4012.3051 20745.4780 14496.8707 232.3203 -203321.1403 2426.4881 0.0000 0.0000 51891.5302 -109516.1479 298.2213 -161407.6781 -109149.6066 299.3984 -160.6111 -124.5291 761257.7004 3.2019 3.2873 PRESSURE: 3214400 149.326 110.102 88.3281 110.103 -28.6156 165.263 88.3278 165.261 373.976 GPRESSURE: 3214400 181.337 54.6061 48.7915 110.581 33.6601 143.177 182.028 99.4608 366.62 PRESSAVG: 3214400 26.4393 1.80732 -29.8327 1.80737 -23.113 7.15012 -29.8327 7.15021 23.5492 GPRESSAVG: 3214400 26.5551 0.269641 -30.1275 2.38772 -21.1623 7.17422 -30.8522 6.60922 21.3218 TIMING: 3214400 CPU: 10218.4, 0.0031045/step Wall: 10218.4, 0.0031045/step, 1.53983 hours remaining, 234.714844 MB of memory in use. ENERGY: 3214400 4037.6584 20505.8555 14504.9352 253.3360 -203588.5745 2737.7198 0.0000 0.0000 52052.2307 -109496.8388 299.1449 -161549.0696 -109135.2176 299.2488 164.8956 193.8724 761376.8112 8.9585 8.9049 PRESSURE: 3214600 -34.4714 71.9274 117.943 71.9268 244.293 211.526 117.943 211.524 227.995 GPRESSURE: 3214600 65.6995 172.778 104.173 44.8669 219.075 165.077 45.0706 155.661 240.805 PRESSAVG: 3214600 -24.0454 4.82812 -23.6943 4.82813 3.17221 26.841 -23.6943 26.841 4.631 GPRESSAVG: 3214600 -24.3273 6.18648 -23.5003 4.75464 2.30798 28.2491 -22.3214 26.1936 5.35213 TIMING: 3214600 CPU: 10219, 0.0031233/step Wall: 10219, 0.0031233/step, 1.54898 hours remaining, 234.714844 MB of memory in use. ENERGY: 3214600 3943.6693 20566.7191 14477.3156 229.8855 -203730.1594 2628.6551 0.0000 0.0000 52287.5629 -109596.3519 300.4973 -161883.9148 -109229.0295 299.7224 145.9390 175.1935 759100.1309 -5.4141 -5.5557 PRESSURE: 3214800 322.164 11.5207 62.973 11.5205 -270.146 32.3828 62.9722 32.383 99.451 GPRESSURE: 3214800 268.88 6.83272 35.8677 57.1138 -245.822 98.4702 22.3196 -54.9114 207.882 PRESSAVG: 3214800 -6.59038 -25.6516 26.3786 -25.6516 -1.76374 21.867 26.3786 21.867 12.5002 GPRESSAVG: 3214800 -6.49575 -27.0748 27.6279 -24.0319 -2.2129 21.4646 25.4006 21.2325 13.2028 TIMING: 3214800 CPU: 10219.7, 0.00312429/step Wall: 10219.7, 0.00312429/step, 1.5493 hours remaining, 234.714844 MB of memory in use. ENERGY: 3214800 3988.8847 20575.9206 14476.7163 235.5073 -203504.1463 2503.8323 0.0000 0.0000 52013.6924 -109709.5928 298.9234 -161723.2852 -109355.5979 299.4086 50.4898 76.9798 759240.8685 1.3820 1.4980 PRESSURE: 3215000 -191.558 -74.8775 27.9474 -74.8781 -168.828 -151.967 27.9461 -151.966 -8.94168 GPRESSURE: 3215000 -119.66 -9.24579 36.4864 -91.5534 -204.183 -106.511 70.1711 56.3341 55.0481 PRESSAVG: 3215000 20.5386 -51.9881 30.1524 -51.9881 -60.9124 -9.27045 30.1524 -9.27044 -6.01419 GPRESSAVG: 3215000 20.9059 -51.7963 29.6591 -53.119 -62.9604 -9.48318 31.0234 -8.74719 -4.45251 TIMING: 3215000 CPU: 10220.3, 0.00310703/step Wall: 10220.3, 0.00310703/step, 1.54057 hours remaining, 234.714844 MB of memory in use. ENERGY: 3215000 4098.1108 20436.8799 14605.1869 238.3830 -203441.1123 2391.0825 0.0000 0.0000 52127.0436 -109544.4254 299.5748 -161671.4690 -109181.6794 298.9207 -123.1092 -89.5981 760890.0894 -15.4627 -15.5023 PRESSURE: 3215200 -246.982 15.0803 -49.8716 15.0804 246.742 -99.0441 -49.8716 -99.0437 -274.754 GPRESSURE: 3215200 -143.511 -61.5026 -39.0105 -60.6387 272.237 -156.885 -13.7147 -103.342 -309.199 PRESSAVG: 3215200 6.62788 -14.3054 19.6492 -14.3054 -36.5165 -12.2233 19.6492 -12.2233 -15.4001 GPRESSAVG: 3215200 6.21993 -13.6861 19.9696 -14.2096 -34.5728 -11.8158 18.1194 -13.6404 -16.6002 TIMING: 3215200 CPU: 10220.9, 0.0030962/step Wall: 10220.9, 0.0030962/step, 1.53503 hours remaining, 234.714844 MB of memory in use. ENERGY: 3215200 3970.1621 20424.0651 14546.0626 237.4659 -203647.1280 2512.4874 0.0000 0.0000 52262.3091 -109694.5759 300.3522 -161956.8850 -109321.7331 299.3831 -91.6648 -60.1580 761808.4471 -15.0962 -14.9844 PRESSURE: 3215400 208.967 7.23488 38.5878 7.23416 31.9239 -169.332 38.5884 -169.332 -33.8785 GPRESSURE: 3215400 242.048 131.556 65.2574 -30.5589 80.0068 -112.75 -106.896 -309.647 -27.9262 PRESSAVG: 3215400 8.9194 -2.87237 -9.587 -2.8724 -23.192 20.2887 -9.58694 20.2887 15.8285 GPRESSAVG: 3215400 10.4694 -4.2797 -11.1193 -2.57155 -24.1318 19.1637 -8.98155 19.171 15.6186 TIMING: 3215400 CPU: 10221.5, 0.00309513/step Wall: 10221.5, 0.00309513/step, 1.53433 hours remaining, 234.714844 MB of memory in use. ENERGY: 3215400 3901.2562 20508.9560 14472.4888 232.6754 -203863.7884 2929.7200 0.0000 0.0000 52173.1375 -109645.5546 299.8397 -161818.6921 -109281.8416 299.0552 69.0043 98.0430 761415.5236 0.5186 0.6521 PRESSURE: 3215600 -252.523 -45.0173 345.221 -45.0167 -125.785 -180.523 345.221 -180.523 -284.874 GPRESSURE: 3215600 -210.846 -16.4099 247.79 -44.7328 -66.7576 -182.449 363.823 -129.817 -307.696 PRESSAVG: 3215600 26.2194 -30.4357 -11.3374 -30.4357 -41.8968 4.74671 -11.3373 4.74671 -6.72805 GPRESSAVG: 3215600 24.9343 -27.6027 -11.4888 -29.8883 -41.3121 6.6112 -10.161 5.30556 -6.6494 TIMING: 3215600 CPU: 10222.2, 0.00310681/step Wall: 10222.2, 0.00310681/step, 1.53994 hours remaining, 234.714844 MB of memory in use. ENERGY: 3215600 4006.1279 20626.4444 14525.9765 252.2713 -203436.6084 2325.8652 0.0000 0.0000 52332.3776 -109367.5454 300.7549 -161699.9230 -109003.4511 299.4627 -221.0609 -195.0999 762962.4455 -7.4685 -7.6757 PRESSURE: 3215800 -43.1401 118.354 -26.2423 118.354 195.497 6.57294 -26.2425 6.57322 104.311 GPRESSURE: 3215800 -40.7971 172.097 -1.62471 178.942 221.824 34.842 -119.48 138.799 163.47 PRESSAVG: 3215800 -46.9069 59.3707 -69.2991 59.3707 10.8745 33.4118 -69.2991 33.4118 1.88644 GPRESSAVG: 3215800 -47.5678 56.651 -69.2065 59.1377 12.0372 33.067 -69.5377 36.5217 1.7206 TIMING: 3215800 CPU: 10222.8, 0.00309726/step Wall: 10222.8, 0.00309726/step, 1.53504 hours remaining, 234.714844 MB of memory in use. ENERGY: 3215800 4026.7424 20584.4669 14492.4453 264.3197 -203403.7864 2758.9647 0.0000 0.0000 51999.7068 -109277.1407 298.8430 -161276.8475 -108915.9366 299.4746 85.5560 114.8324 761017.7871 -11.3820 -11.2700 PRESSURE: 3216000 -23.8118 -57.135 122.864 -57.1361 -259.936 236.133 122.865 236.133 -4.54573 GPRESSURE: 3216000 -38.8617 -112.096 132.833 -64.2673 -169.342 231.002 242.215 133.794 8.15557 PRESSAVG: 3216000 -9.8289 22.5745 -35.209 22.5746 17.2268 10.1527 -35.2091 10.1526 15.7672 GPRESSAVG: 3216000 -8.47848 22.6215 -35.5627 21.5713 15.5681 10.3207 -36.5821 6.81994 16.3298 TIMING: 3216000 CPU: 10223.4, 0.00310679/step Wall: 10223.4, 0.00310679/step, 1.53958 hours remaining, 234.714844 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: 3216000 3970.7113 20578.8267 14547.3358 248.4873 -203170.7668 2328.9006 0.0000 0.0000 52060.4459 -109436.0592 299.1921 -161496.5051 -109070.3885 299.3613 -96.0978 -66.6829 762259.1091 7.7217 7.8065 PRESSURE: 3216200 -6.39518 14.4908 266.969 14.4905 169.128 -80.5605 266.969 -80.5608 282.743 GPRESSURE: 3216200 50.048 2.94838 221.827 169.188 182.957 -79.6249 170.787 -99.898 294.716 PRESSAVG: 3216200 -5.39973 13.3491 -27.8064 13.3491 -19.2188 34.1076 -27.8064 34.1076 -6.74842 GPRESSAVG: 3216200 -6.64289 13.8734 -26.6057 14.8076 -16.9089 32.6563 -26.0409 34.5935 -7.57968 TIMING: 3216200 CPU: 10224, 0.00311613/step Wall: 10224, 0.00311613/step, 1.54404 hours remaining, 234.714844 MB of memory in use. ENERGY: 3216200 3995.6996 20474.6500 14548.2019 259.5655 -203333.4814 2604.7709 0.0000 0.0000 51986.2169 -109464.3767 298.7655 -161450.5936 -109100.0137 299.5071 148.4919 175.9071 762118.4655 -10.4556 -10.3772 LDB: ============= START OF LOAD BALANCING ============== 10236.4 LDB: ============== END OF LOAD BALANCING =============== 10236.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10236.4 LDB: ============= START OF LOAD BALANCING ============== 10236.7 LDB: Largest compute 7038 load 0.030334 is 15.5% of average load 0.195535 LDB: Average compute 0.004405 is 2.3% of average load 0.195535 LDB: TIME 10236.8 LOAD: AVG 0.195535 MAX 0.217551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.422 MB LDB: TIME 10236.8 LOAD: AVG 0.195535 MAX 0.217551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: TIME 10236.8 LOAD: AVG 0.195535 MAX 0.217551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: ============== END OF LOAD BALANCING =============== 10236.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10236.8 PRESSURE: 3216400 140.737 -37.1088 -152.304 -37.1088 -30.11 -37.3579 -152.305 -37.3585 264.063 GPRESSURE: 3216400 253.635 -31.3238 -96.5218 -123.908 -52.0736 -42.3928 -186.518 -103.697 272.447 PRESSAVG: 3216400 33.5409 57.1724 -13.3728 57.1724 -53.9333 38.523 -13.3728 38.523 -2.65814 GPRESSAVG: 3216400 34.6898 58.3196 -14.2737 56.8047 -54.8567 37.4286 -13.7865 39.5835 -2.98216 TIMING: 3216400 CPU: 10224.7, 0.00317705/step Wall: 10224.7, 0.00317705/step, 1.57405 hours remaining, 233.050781 MB of memory in use. ENERGY: 3216400 3934.5093 20379.3397 14433.5551 270.2357 -203158.9955 2426.6404 0.0000 0.0000 52225.1019 -109489.6134 300.1384 -161714.7154 -109120.5331 299.6606 124.8969 158.0027 761573.4061 -7.6835 -7.7163 PRESSURE: 3216600 -194.043 126.444 2.80518 126.444 -256.416 -12.8989 2.80445 -12.8985 -263.391 GPRESSURE: 3216600 -175.534 92.1164 -104.828 56.2278 -195.231 -17.3027 78.8477 -61.9236 -270.044 PRESSAVG: 3216600 62.3855 -1.1522 -17.5634 -1.15212 -73.1988 18.3107 -17.5634 18.3107 -16.0541 GPRESSAVG: 3216600 62.9597 -2.21706 -16.9789 -2.0919 -73.6339 18.6706 -16.5342 17.4893 -15.911 TIMING: 3216600 CPU: 10225.3, 0.00311388/step Wall: 10225.3, 0.00311388/step, 1.54258 hours remaining, 233.050781 MB of memory in use. ENERGY: 3216600 3985.6177 20626.9204 14563.5872 242.6028 -203497.6454 2368.5546 0.0000 0.0000 52083.9383 -109626.4242 299.3271 -161710.3626 -109263.6598 299.5742 -237.9500 -213.6031 760774.1510 -8.9558 -8.8617 PRESSURE: 3216800 243.817 145.388 -228.271 145.388 -259.243 -204.796 -228.272 -204.797 83.6793 GPRESSURE: 3216800 246.759 152.981 -161.54 115.533 -265.645 -136.721 -130.158 -211.744 178.252 PRESSAVG: 3216800 24.0839 50.8135 -11.42 50.8135 -13.7903 -0.935081 -11.4199 -0.935031 5.84687 GPRESSAVG: 3216800 23.0623 51.1118 -10.9703 48.2654 -12.482 -1.46078 -12.77 0.280636 6.16325 TIMING: 3216800 CPU: 10225.9, 0.0031098/step Wall: 10225.9, 0.0031098/step, 1.54039 hours remaining, 233.050781 MB of memory in use. ENERGY: 3216800 3979.9635 20517.4877 14530.2317 230.4853 -203606.6090 2621.7276 0.0000 0.0000 51994.1699 -109732.5434 298.8112 -161726.7133 -109374.6376 299.0620 22.7510 53.1221 759619.0596 5.3801 5.5812 PRESSURE: 3217000 -183.984 -227.109 -62.4547 -227.108 152.477 -16.6231 -62.4539 -16.6222 -91.9389 GPRESSURE: 3217000 -117.36 -184.89 -114.099 -28.6468 173.934 -75.9438 -162.321 24.1463 -91.6267 PRESSAVG: 3217000 -37.6531 17.3791 -25.2198 17.3791 21.6064 -65.8462 -25.2198 -65.8463 3.8442 GPRESSAVG: 3217000 -36.5189 18.4482 -25.9841 20.319 21.2912 -64.9246 -25.3654 -66.7745 3.1986 TIMING: 3217000 CPU: 10226.5, 0.00310388/step Wall: 10226.5, 0.00310388/step, 1.53728 hours remaining, 233.117188 MB of memory in use. ENERGY: 3217000 3996.0130 20411.6279 14432.5714 253.7570 -203406.2119 2731.0112 0.0000 0.0000 51842.6305 -109738.6010 297.9403 -161581.2315 -109374.0004 298.2156 -41.1486 -11.6843 761611.9188 -4.0675 -4.0097 PRESSURE: 3217200 28.3508 -19.9736 -187.519 -19.9734 -106.622 -346.929 -187.518 -346.929 19.5577 GPRESSURE: 3217200 -64.4512 38.1663 -199.325 -69.1905 -33.6899 -290.373 -287.173 -245.102 138.96 PRESSAVG: 3217200 37.2058 17.0022 -14.7176 17.0021 -0.0164473 7.58227 -14.7176 7.58216 -1.5977 GPRESSAVG: 3217200 36.6041 14.4553 -15.1544 16.4146 -0.626171 6.16457 -14.7992 8.09635 -0.413467 TIMING: 3217200 CPU: 10227.1, 0.0031101/step Wall: 10227.1, 0.0031101/step, 1.54019 hours remaining, 233.117188 MB of memory in use. ENERGY: 3217200 4050.5983 20437.0234 14501.0926 251.0785 -203776.3853 2685.7615 0.0000 0.0000 52142.8927 -109707.9384 299.6659 -161850.8310 -109355.9008 298.7710 -19.5712 13.6063 759892.2144 11.8639 11.8548 PRESSURE: 3217400 -122.27 157.878 -104.324 157.879 -6.04114 183.356 -104.324 183.356 -323.356 GPRESSURE: 3217400 -136.134 103.958 -90.1909 27.2271 16.4181 179.303 -44.1697 58.7332 -274.046 PRESSAVG: 3217400 -17.678 -12.5637 -12.116 -12.5637 41.6069 -22.4354 -12.116 -22.4354 -7.99444 GPRESSAVG: 3217400 -17.6446 -12.1969 -10.1652 -12.0804 42.0835 -22.0988 -11.4768 -23.4893 -9.06707 TIMING: 3217400 CPU: 10227.8, 0.00309185/step Wall: 10227.8, 0.00309185/step, 1.53098 hours remaining, 233.117188 MB of memory in use. ENERGY: 3217400 3968.9550 20458.1293 14575.3138 257.0777 -203569.5444 2418.2456 0.0000 0.0000 52371.7775 -109520.0454 300.9813 -161891.8229 -109155.4075 299.4337 -150.5556 -131.2539 761326.1804 5.3115 5.1239 PRESSURE: 3217600 -91.2984 27.3811 218.582 27.3818 437.774 19.3726 218.581 19.3728 208.557 GPRESSURE: 3217600 -5.11905 -39.6226 123.504 35.2823 385.935 15.9823 271.145 19.2376 255.813 PRESSAVG: 3217600 -43.9162 11.9483 -23.4683 11.9483 54.876 -25.533 -23.4683 -25.533 4.29819 GPRESSAVG: 3217600 -44.9422 9.5942 -24.7704 12.3466 55.2496 -23.3147 -22.86 -27.3582 4.7002 TIMING: 3217600 CPU: 10228.4, 0.00310007/step Wall: 10228.4, 0.00310007/step, 1.53488 hours remaining, 233.117188 MB of memory in use. ENERGY: 3217600 3951.3410 20436.7167 14608.0350 247.7981 -203406.3748 2583.0955 0.0000 0.0000 51946.7269 -109632.6617 298.5386 -161579.3886 -109272.1815 299.3517 185.0108 212.2096 760253.8464 5.0860 5.0025 PRESSURE: 3217800 297.088 84.776 -88.6882 84.776 372.988 -564.459 -88.6889 -564.459 -25.3576 GPRESSURE: 3217800 317.805 175.952 -148.623 -135.164 408.806 -551.849 -149.536 -490.057 5.82638 PRESSAVG: 3217800 -31.9339 32.7873 -4.00745 32.7872 -20.9837 -33.8141 -4.0074 -33.8141 27.0551 GPRESSAVG: 3217800 -32.0723 36.3933 -3.81864 30.9242 -21.342 -35.662 -4.41281 -31.9244 27.6318 TIMING: 3217800 CPU: 10229, 0.00310281/step Wall: 10229, 0.00310281/step, 1.53606 hours remaining, 233.117188 MB of memory in use. ENERGY: 3217800 3938.1939 20530.5669 14571.6946 245.6580 -203387.4656 2566.8594 0.0000 0.0000 51962.5710 -109571.9216 298.6296 -161534.4927 -109213.4196 299.2084 214.9061 244.1459 760918.7289 -8.6208 -8.5942 PRESSURE: 3218000 158.538 -40.3693 -128.874 -40.3693 -165.309 3.18992 -128.874 3.19096 -262.246 GPRESSURE: 3218000 130.057 -145.952 -116.221 -18.5637 -40.3363 43.1208 -106.963 3.78132 -264.096 PRESSAVG: 3218000 30.6624 -28.9299 -7.82472 -28.93 -46.9947 -27.4582 -7.82471 -27.4583 -0.960784 GPRESSAVG: 3218000 29.3322 -30.1922 -8.91183 -27.7956 -45.4054 -26.7796 -7.72466 -26.836 -0.987541 TIMING: 3218000 CPU: 10229.6, 0.00311095/step Wall: 10229.6, 0.00311095/step, 1.53992 hours remaining, 233.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3218000 4028.7702 20559.3091 14515.8090 223.8698 -203481.1315 2612.5404 0.0000 0.0000 52213.1180 -109327.7149 300.0695 -161540.8329 -108975.2703 299.6571 -89.6721 -58.1252 761781.7040 -5.7644 -5.6869 PRESSURE: 3218200 9.27624 -188.989 150.801 -188.989 348.835 120.759 150.802 120.759 7.61668 GPRESSURE: 3218200 172.043 -66.3056 -12.2696 -200.91 295.627 205.315 176.061 158.445 -24.7472 PRESSAVG: 3218200 -16.6963 -21.7903 -3.36313 -21.7904 72.6419 -39.4625 -3.36313 -39.4625 13.9523 GPRESSAVG: 3218200 -15.5357 -21.8733 -2.78033 -21.5882 70.2727 -41.0573 -3.78457 -40.8554 13.8672 TIMING: 3218200 CPU: 10230.2, 0.0031035/step Wall: 10230.2, 0.0031035/step, 1.53606 hours remaining, 233.117188 MB of memory in use. ENERGY: 3218200 4032.4590 20588.0094 14531.3941 250.7281 -203609.6653 2886.4938 0.0000 0.0000 52121.1191 -109199.4617 299.5408 -161320.5808 -108839.0532 300.4528 121.9092 147.6407 760602.8674 23.2993 22.8681 PRESSURE: 3218400 -378.063 -3.45313 234.944 -3.453 -314.089 19.8246 234.942 19.824 -691.354 GPRESSURE: 3218400 -365.646 -166.213 291.32 128.36 -242.398 37.2315 172.485 19.4354 -680.968 PRESSAVG: 3218400 13.8055 -16.7948 19.1785 -16.7949 -22.6189 -41.4045 19.1785 -41.4045 -14.3207 GPRESSAVG: 3218400 13.132 -15.5159 20.1786 -16.983 -21.6647 -39.8426 17.9949 -39.1152 -14.5584 TIMING: 3218400 CPU: 10230.9, 0.00309992/step Wall: 10230.9, 0.00309992/step, 1.53411 hours remaining, 233.117188 MB of memory in use. ENERGY: 3218400 4033.1553 20561.2006 14575.8986 254.7319 -203120.3154 2136.9361 0.0000 0.0000 52437.7967 -109120.5963 301.3607 -161558.3930 -108755.6039 300.3576 -461.1685 -429.6707 761803.5422 -7.7114 -7.6970 PRESSURE: 3218600 -48.7764 52.6926 71.7411 52.6926 -200.853 -167.142 71.7413 -167.142 -67.8059 GPRESSURE: 3218600 -63.0785 6.31771 89.0511 13.1844 -136.962 -205.204 17.0002 -123.95 -31.6502 PRESSAVG: 3218600 -2.09785 -47.1189 8.57489 -47.119 51.2541 -5.54885 8.57496 -5.54886 1.49684 GPRESSAVG: 3218600 -1.76932 -48.6831 9.45959 -46.8475 51.1538 -6.43807 8.86213 -7.38872 1.48089 TIMING: 3218600 CPU: 10231.5, 0.00309867/step Wall: 10231.5, 0.00309867/step, 1.53333 hours remaining, 233.117188 MB of memory in use. ENERGY: 3218600 4047.7055 20605.4885 14540.0213 233.9391 -203301.2262 2480.6180 0.0000 0.0000 52118.3038 -109275.1501 299.5246 -161393.4538 -108920.3186 300.5980 -105.8118 -77.2301 760169.0540 16.8844 16.9551 PRESSURE: 3218800 141.514 -78.5152 -23.3679 -78.5162 -192.401 51.6399 -23.3679 51.641 233.566 GPRESSURE: 3218800 134.557 -54.1231 -24.1601 -22.7984 -61.6483 -4.04793 -120.225 149.51 207.183 PRESSAVG: 3218800 -10.5578 -37.7169 -20.7023 -37.7169 -7.45179 -50.4973 -20.7023 -50.4973 -14.1873 GPRESSAVG: 3218800 -10.3469 -36.7332 -22.5208 -38.7574 -7.34631 -51.6344 -19.3771 -49.0214 -14.5835 TIMING: 3218800 CPU: 10232.1, 0.00310581/step Wall: 10232.1, 0.00310581/step, 1.53669 hours remaining, 233.175781 MB of memory in use. ENERGY: 3218800 4006.3992 20467.1818 14598.0080 228.6690 -203507.9727 2555.7079 0.0000 0.0000 52333.2413 -109318.7655 300.7599 -161652.0067 -108952.6947 299.9771 60.8927 93.3640 760015.2435 -10.7323 -10.7589 PRESSURE: 3219000 65.174 78.7198 -110.507 78.7193 46.0305 88.9134 -110.507 88.9131 121.207 GPRESSURE: 3219000 94.3938 169.263 -58.0514 111.416 52.2325 137.387 -149.369 123.03 168.513 PRESSAVG: 3219000 19.4478 -35.4987 -65.2028 -35.4986 8.482 -19.2565 -65.2028 -19.2565 11.1229 GPRESSAVG: 3219000 18.9339 -35.4392 -64.8685 -34.9816 8.75287 -17.1953 -66.7054 -17.4974 11.1532 TIMING: 3219000 CPU: 10232.7, 0.0031201/step Wall: 10232.7, 0.0031201/step, 1.54358 hours remaining, 233.175781 MB of memory in use. ENERGY: 3219000 3973.6183 20518.6102 14601.7890 258.2589 -203151.7000 2341.4336 0.0000 0.0000 52122.0088 -109335.9812 299.5459 -161457.9901 -108974.5761 300.1026 77.4706 105.0465 760674.2333 13.0176 12.9467 PRESSURE: 3219200 -448.257 -115.126 -78.2346 -115.125 -284.943 101.311 -78.2346 101.311 -429.728 GPRESSURE: 3219200 -471.676 -133.296 -24.7976 -129.086 -225.075 126.865 -87.084 -95.9931 -394.727 PRESSAVG: 3219200 -8.26108 13.38 -21.1613 13.38 40.4765 -5.88673 -21.1613 -5.88669 -4.97508 GPRESSAVG: 3219200 -8.01555 11.8828 -21.8455 14.3186 39.7217 -6.12446 -20.3278 -7.83208 -4.83666 TIMING: 3219200 CPU: 10233.3, 0.00309075/step Wall: 10233.3, 0.00309075/step, 1.52889 hours remaining, 233.175781 MB of memory in use. ENERGY: 3219200 4027.6156 20636.5809 14528.8523 234.9024 -203016.2314 2130.8692 0.0000 0.0000 52047.1982 -109410.2128 299.1160 -161457.4110 -109050.1859 299.9861 -387.6428 -363.8262 762292.6756 9.0801 8.9565 PRESSURE: 3219400 -314.377 118.73 28.4844 118.729 -310.301 0.172594 28.4853 0.174426 -655.275 GPRESSURE: 3219400 -250.814 113.267 35.0872 75.6685 -308.306 38.726 68.0349 -74.9165 -643.246 PRESSAVG: 3219400 -35.9966 23.8008 0.467834 23.8008 51.8901 -29.4557 0.467858 -29.4556 -19.1024 GPRESSAVG: 3219400 -36.537 24.9522 1.6816 24.1939 52.7905 -30.3255 0.896836 -29.3496 -19.0619 TIMING: 3219400 CPU: 10234, 0.00310249/step Wall: 10234, 0.00310249/step, 1.53453 hours remaining, 233.175781 MB of memory in use. ENERGY: 3219400 3940.1996 20647.5141 14539.0704 239.0685 -203150.1081 2321.0245 0.0000 0.0000 52068.8959 -109394.3350 299.2407 -161463.2309 -109032.1691 299.8231 -426.6512 -400.7889 761055.1068 -1.0696 -0.9361 PRESSURE: 3219600 -160.387 -17.8378 13.5484 -17.838 123.07 196.693 13.5484 196.693 344.231 GPRESSURE: 3219600 -115.219 -24.8419 39.6066 27.3193 123.969 205.845 6.44392 225.175 364.925 PRESSAVG: 3219600 -65.6363 2.39689 18.8956 2.39684 57.477 -54.4649 18.8956 -54.4648 -2.19607 GPRESSAVG: 3219600 -64.8244 1.95384 19.1389 1.55986 56.0383 -53.5933 19.4116 -53.6652 -1.74619 TIMING: 3219600 CPU: 10234.6, 0.0030918/step Wall: 10234.6, 0.0030918/step, 1.52907 hours remaining, 233.175781 MB of memory in use. ENERGY: 3219600 4004.3541 20539.7371 14587.3031 279.0735 -203706.9302 2731.4694 0.0000 0.0000 51989.9510 -109575.0420 298.7870 -161564.9930 -109212.6619 299.2432 102.3048 124.5584 760546.8342 -3.4518 -3.5108 PRESSURE: 3219800 -341.942 64.7783 -32.6525 64.7774 -332.071 40.2711 -32.6523 40.2707 104.005 GPRESSURE: 3219800 -429.681 97.3975 -117.576 13.9664 -148.572 34.7927 17.5843 -63.103 118.744 PRESSAVG: 3219800 -52.2958 -0.563994 -30.0494 -0.563985 35.5275 -59.5302 -30.0495 -59.5302 6.70556 GPRESSAVG: 3219800 -52.8601 -1.30941 -32.2168 -1.35457 35.8516 -58.2165 -30.6918 -60.9758 6.58122 TIMING: 3219800 CPU: 10235.2, 0.00310498/step Wall: 10235.2, 0.00310498/step, 1.53541 hours remaining, 233.175781 MB of memory in use. ENERGY: 3219800 4011.8934 20493.5700 14544.4698 247.3260 -203621.1287 2613.6740 0.0000 0.0000 52028.6235 -109681.5720 299.0092 -161710.1955 -109314.4728 299.5117 -190.0027 -153.1697 759806.0754 -3.3543 -3.4758 PRESSURE: 3220000 514.785 -166.244 -122.714 -166.244 8.57206 -75.742 -122.715 -75.7414 288.89 GPRESSURE: 3220000 440.988 -137.175 -130.833 -151.352 58.6351 -74.9885 -104.806 -39.0166 400.096 PRESSAVG: 3220000 -88.4095 -10.1946 5.61911 -10.1946 92.0852 -16.5055 5.61909 -16.5054 -7.50769 GPRESSAVG: 3220000 -87.9621 -10.5712 7.91148 -8.54401 90.5909 -18.633 6.17773 -16.3354 -6.93081 TIMING: 3220000 CPU: 10235.8, 0.0030938/step Wall: 10235.8, 0.0030938/step, 1.52971 hours remaining, 233.175781 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: 3220000 3978.3198 20526.6270 14529.2748 243.5452 -203955.9000 2595.6686 0.0000 0.0000 52238.7471 -109843.7175 300.2168 -162082.4646 -109477.7160 299.0971 270.7490 299.9064 758005.2486 -1.2773 -1.4340 PRESSURE: 3220200 -400.096 38.463 -61.9657 38.4625 62.4849 -73.3314 -61.9652 -73.3316 128.228 GPRESSURE: 3220200 -327.016 111.606 -34.1855 -20.66 131.617 -96.9063 2.29686 0.0260038 57.6853 PRESSAVG: 3220200 -31.5634 2.40897 -21.0485 2.40898 53.1463 -27.8051 -21.0485 -27.805 -18.2686 GPRESSAVG: 3220200 -32.8509 3.24661 -21.6007 1.62032 55.2841 -28.14 -21.7208 -25.7674 -18.4681 TIMING: 3220200 CPU: 10236.4, 0.00311115/step Wall: 10236.4, 0.00311115/step, 1.53812 hours remaining, 233.175781 MB of memory in use. ENERGY: 3220200 3927.6173 20541.3869 14604.2400 243.7851 -203510.5033 2462.4020 0.0000 0.0000 51981.3541 -109749.7180 298.7376 -161731.0721 -109378.4179 299.3441 -69.7943 -45.9045 761329.2638 1.1048 1.3217 LDB: ============= START OF LOAD BALANCING ============== 10248.9 LDB: ============== END OF LOAD BALANCING =============== 10248.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10248.9 LDB: ============= START OF LOAD BALANCING ============== 10249.2 LDB: Largest compute 7078 load 0.031301 is 16.0% of average load 0.195651 LDB: Average compute 0.004389 is 2.2% of average load 0.195651 LDB: TIME 10249.2 LOAD: AVG 0.195651 MAX 0.214413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.973 MB LDB: TIME 10249.2 LOAD: AVG 0.195651 MAX 0.214413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: TIME 10249.2 LOAD: AVG 0.195651 MAX 0.214413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: ============== END OF LOAD BALANCING =============== 10249.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10249.2 PRESSURE: 3220400 -105.596 -175.572 -156.397 -175.57 -229.811 85.6133 -156.397 85.6139 194.166 GPRESSURE: 3220400 22.1389 -205.369 -254.694 -138.148 -236.002 116.364 -103.181 -46.0751 159.026 PRESSAVG: 3220400 -69.7634 26.9045 0.557496 26.9046 98.8885 -34.595 0.557486 -34.595 7.61493 GPRESSAVG: 3220400 -68.2828 27.5876 -1.00077 24.939 97.8854 -32.6353 -0.351209 -36.8261 7.21374 TIMING: 3220400 CPU: 10237.1, 0.00317303/step Wall: 10237.1, 0.00317303/step, 1.56854 hours remaining, 232.585938 MB of memory in use. ENERGY: 3220400 3961.7699 20619.9032 14554.7344 262.8868 -203561.5262 2372.8250 0.0000 0.0000 52018.4558 -109770.9512 298.9508 -161789.4070 -109411.9779 298.6738 -47.0805 -18.2788 761835.1582 12.2467 12.2721 PRESSURE: 3220600 257.341 -80.8852 -131.026 -80.8854 68.9407 -40.0995 -131.026 -40.0989 433.514 GPRESSURE: 3220600 286.512 -68.7022 -149.634 -25.0704 56.7527 -35.4265 -60.488 -140.634 520.65 PRESSAVG: 3220600 -3.60885 -9.89266 23.9608 -9.89265 -22.1943 -39.1491 23.9608 -39.149 -2.45024 GPRESSAVG: 3220600 -1.44594 -9.6774 25.3558 -7.52695 -22.6294 -40.1625 26.6368 -38.8139 -3.69618 TIMING: 3220600 CPU: 10237.7, 0.00312363/step Wall: 10237.7, 0.00312363/step, 1.54394 hours remaining, 232.585938 MB of memory in use. ENERGY: 3220600 3893.5381 20398.5529 14423.8429 255.0356 -203653.1677 2694.0397 0.0000 0.0000 52074.2893 -109913.8691 299.2717 -161988.1584 -109560.4235 298.3353 253.2651 287.9716 760459.3732 -9.4178 -9.2572 PRESSURE: 3220800 -129.632 -39.3392 12.2256 -39.3388 -0.340441 -64.2883 12.2261 -64.2886 61.2875 GPRESSURE: 3220800 -135.351 -33.5872 72.7263 -69.4699 75.2436 -111.436 -11.5386 6.53662 58.4951 PRESSAVG: 3220800 17.8283 -29.1769 19.4569 -29.1769 27.7722 -41.8136 19.4569 -41.8136 -11.3704 GPRESSAVG: 3220800 15.8898 -28.5621 19.3854 -29.8864 28.7356 -42.1562 18.6748 -42.2711 -10.362 TIMING: 3220800 CPU: 10238.3, 0.00311817/step Wall: 10238.3, 0.00311817/step, 1.54107 hours remaining, 232.726562 MB of memory in use. ENERGY: 3220800 3971.3510 20359.2819 14556.6297 231.0496 -203397.8894 2485.8102 0.0000 0.0000 52065.2940 -109728.4730 299.2200 -161793.7671 -109382.7559 299.1126 -22.8949 -0.5373 761485.1892 11.4100 11.4211 PRESSURE: 3221000 304.365 39.4642 -123.21 39.465 61.5649 -279.427 -123.209 -279.428 -70.1316 GPRESSURE: 3221000 377.158 -124.565 -159.272 50.6027 82.1549 -299.793 -66.7926 -226.718 -78.8304 PRESSAVG: 3221000 17.2601 -22.5894 15.8863 -22.5894 -44.7344 -34.7889 15.8864 -34.7888 43.9865 GPRESSAVG: 3221000 15.9852 -24.6455 15.3773 -23.7536 -44.7496 -34.9395 15.0055 -31.4995 44.6562 TIMING: 3221000 CPU: 10239, 0.00311051/step Wall: 10239, 0.00311051/step, 1.53711 hours remaining, 232.929688 MB of memory in use. ENERGY: 3221000 3924.1130 20551.2470 14561.2524 240.3174 -203718.0654 2719.4636 0.0000 0.0000 52049.3420 -109672.3301 299.1283 -161721.6721 -109312.9140 299.3436 98.5994 126.8276 758862.8278 5.5041 5.2973 PRESSURE: 3221200 -265.75 -7.93765 -131.932 -7.93749 -370.59 108.461 -131.932 108.462 22.9856 GPRESSURE: 3221200 -236.201 -29.2837 -148.93 -27.4354 -274.265 -17.8495 -130.424 35.7201 -10.0318 PRESSAVG: 3221200 -56.2872 -44.248 -31.4449 -44.2479 72.7719 -18.5131 -31.4449 -18.5132 -24.039 GPRESSAVG: 3221200 -55.1531 -43.7421 -30.3162 -42.2094 73.1504 -18.2058 -30.7253 -21.9355 -25.1205 TIMING: 3221200 CPU: 10239.6, 0.00310811/step Wall: 10239.6, 0.00310811/step, 1.53575 hours remaining, 232.929688 MB of memory in use. ENERGY: 3221200 3992.2977 20573.1101 14479.1202 245.3063 -203305.7069 2437.1501 0.0000 0.0000 52041.3450 -109537.3776 299.0823 -161578.7225 -109166.0170 299.2771 -204.4513 -173.4994 760793.6200 -2.5181 -2.3744 PRESSURE: 3221400 -369.133 -236.348 -38.1817 -236.348 -159.292 53.329 -38.1819 53.3297 -223.573 GPRESSURE: 3221400 -388.573 -226.591 133.544 -153.194 -157.378 72.5458 -58.3094 64.7594 -137.853 PRESSAVG: 3221400 -41.7059 -82.6531 -2.16711 -82.6531 31.7745 45.4455 -2.16722 45.4455 3.43576 GPRESSAVG: 3221400 -40.4554 -83.0902 -1.43425 -81.2309 29.3298 45.4335 -4.25552 46.3584 3.71158 TIMING: 3221400 CPU: 10240.2, 0.00310279/step Wall: 10240.2, 0.00310279/step, 1.53295 hours remaining, 232.929688 MB of memory in use. ENERGY: 3221400 4029.6199 20645.2723 14570.9711 242.9154 -203476.0511 2372.3470 0.0000 0.0000 51915.4006 -109699.5248 298.3585 -161614.9253 -109336.8599 299.0476 -250.6660 -227.9344 759211.6558 -2.1652 -2.4713 PRESSURE: 3221600 78.9501 23.7371 127.832 23.7364 279.591 191.802 127.832 191.803 -326.493 GPRESSURE: 3221600 7.96645 73.5018 98.6089 -100.441 399.25 300.02 133.274 236.832 -288.889 PRESSAVG: 3221600 -43.8955 -79.2899 -10.2802 -79.2899 58.2853 24.7643 -10.2801 24.7644 -28.8024 GPRESSAVG: 3221600 -44.6034 -76.8635 -11.0888 -82.613 59.792 25.4623 -9.35114 25.9757 -29.3088 TIMING: 3221600 CPU: 10240.8, 0.00310481/step Wall: 10240.8, 0.00310481/step, 1.53378 hours remaining, 232.929688 MB of memory in use. ENERGY: 3221600 3965.1326 20687.2008 14539.2921 259.3971 -203345.8940 2462.0790 0.0000 0.0000 51755.1630 -109677.6293 297.4376 -161432.7923 -109310.1665 299.0569 10.6827 39.4425 759080.8261 -4.8042 -4.7067 PRESSURE: 3221800 -249.134 -145.957 -280.75 -145.958 -237.419 -100.796 -280.749 -100.797 -289.334 GPRESSURE: 3221800 -182.541 -204.141 -343.487 -121.934 -233.35 -60.1858 -210.959 11.1626 -255.825 PRESSAVG: 3221800 -21.0401 -51.1786 -20.1648 -51.1786 23.2682 21.6582 -20.1648 21.6582 -10.2985 GPRESSAVG: 3221800 -21.14 -51.2425 -19.0602 -51.2227 23.6602 21.0534 -19.7476 20.8948 -11.1354 TIMING: 3221800 CPU: 10241.4, 0.00311188/step Wall: 10241.4, 0.00311188/step, 1.53709 hours remaining, 232.929688 MB of memory in use. ENERGY: 3221800 4016.8968 20562.4826 14522.1238 250.0775 -202865.7836 1897.8582 0.0000 0.0000 52096.7047 -109519.6400 299.4005 -161616.3447 -109151.0439 299.5764 -258.6288 -223.9052 759555.7367 -2.6901 -2.8717 PRESSURE: 3222000 -112.15 -127.138 -128.81 -127.138 -150.619 0.794232 -128.81 0.794667 -196.74 GPRESSURE: 3222000 -44.9871 -53.2036 -91.5645 -205.756 -65.088 51.5685 -187.099 -88.5018 -276.171 PRESSAVG: 3222000 -3.12588 -95.2108 -62.8354 -95.2108 -28.3039 34.8498 -62.8355 34.8497 17.6559 GPRESSAVG: 3222000 -3.26619 -95.2677 -64.4089 -96.031 -30.115 36.6839 -62.6657 34.4041 19.2319 TIMING: 3222000 CPU: 10242.1, 0.00311361/step Wall: 10242.1, 0.00311361/step, 1.53778 hours remaining, 232.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3222000 4055.0841 20503.4156 14512.1179 264.7480 -203252.5386 2390.7218 0.0000 0.0000 52044.6527 -109481.7985 299.1013 -161526.4512 -109116.9673 300.0153 -153.1698 -128.7488 760561.5616 -4.5913 -4.7164 PRESSURE: 3222200 -90.731 -131.076 -88.5725 -131.076 -126.053 -87.6982 -88.5731 -87.698 -520.296 GPRESSURE: 3222200 69.8618 -154.399 -65.2733 -193.419 -159.374 -136.305 -166.025 -19.3233 -544.26 PRESSAVG: 3222200 18.8858 -53.23 9.43618 -53.23 -0.281972 -7.00602 9.43621 -7.00603 -12.7887 GPRESSAVG: 3222200 19.4929 -53.0655 10.4876 -52.9843 -0.454384 -8.75503 10.1468 -4.82668 -12.6915 TIMING: 3222200 CPU: 10242.7, 0.00310431/step Wall: 10242.7, 0.00310431/step, 1.53301 hours remaining, 232.929688 MB of memory in use. ENERGY: 3222200 4020.6518 20294.8941 14490.8537 245.4639 -203085.4555 2228.3791 0.0000 0.0000 52180.0501 -109625.1626 299.8795 -161805.2128 -109258.1622 299.3445 -245.6932 -211.2575 759819.1738 1.9384 2.1157 PRESSURE: 3222400 -371.769 -47.174 211.42 -47.1741 -43.2518 -55.6596 211.42 -55.6593 -14.5679 GPRESSURE: 3222400 -324.696 52.3688 238.677 -55.3699 -4.89803 -118.213 62.8929 -34.3905 -13.8342 PRESSAVG: 3222400 -26.4727 -33.3238 -10.7588 -33.3238 22.2368 -14.8491 -10.7588 -14.8492 6.93347 GPRESSAVG: 3222400 -27.6815 -32.9434 -11.1498 -35.2317 24.0928 -15.267 -10.7064 -16.9136 6.55269 TIMING: 3222400 CPU: 10243.3, 0.00310833/step Wall: 10243.3, 0.00310833/step, 1.53482 hours remaining, 232.929688 MB of memory in use. ENERGY: 3222400 3987.8934 20399.2590 14550.3886 264.3555 -204189.9770 2920.8227 0.0000 0.0000 52388.0854 -109679.1723 301.0750 -162067.2577 -109312.2136 299.6430 -143.1963 -114.4759 759641.4367 0.8992 0.9880 PRESSURE: 3222600 -247.544 -59.609 -3.85931 -59.6095 -106.772 -2.04078 -3.85895 -2.04132 316.504 GPRESSURE: 3222600 -164.082 -48.1367 -4.60512 -16.4648 -36.6566 67.3682 2.51096 57.1772 258.077 PRESSAVG: 3222600 -38.639 -41.5663 -10.3675 -41.5663 -0.392664 -20.2631 -10.3675 -20.2631 -2.2259 GPRESSAVG: 3222600 -39.1993 -42.3014 -10.8334 -38.344 0.0393904 -19.602 -12.0735 -18.8342 -2.24286 TIMING: 3222600 CPU: 10243.9, 0.00310374/step Wall: 10243.9, 0.00310374/step, 1.53239 hours remaining, 232.929688 MB of memory in use. ENERGY: 3222600 3910.8752 20739.1397 14524.4172 248.7895 -203300.4916 2236.5057 0.0000 0.0000 51818.3455 -109822.4189 297.8007 -161640.7644 -109474.2660 299.2149 -12.6040 19.1129 759704.1082 -13.7525 -13.8009 PRESSURE: 3222800 58.1915 -135.355 -15.052 -135.356 -209.166 33.2816 -15.0521 33.282 -136.685 GPRESSURE: 3222800 159.363 -207.353 -76.3052 -77.0151 -168.787 -29.2469 -7.92438 52.2508 -184.192 PRESSAVG: 3222800 -31.5687 -56.2572 -51.9166 -56.2573 47.6407 -46.6403 -51.9166 -46.6403 -18.2728 GPRESSAVG: 3222800 -30.6766 -57.5789 -51.9036 -57.6276 46.1706 -47.884 -51.9735 -46.4429 -18.1935 TIMING: 3222800 CPU: 10244.5, 0.00311396/step Wall: 10244.5, 0.00311396/step, 1.53726 hours remaining, 232.929688 MB of memory in use. ENERGY: 3222800 3931.2121 20590.9695 14528.1292 236.7132 -203533.3817 2456.2215 0.0000 0.0000 52047.6436 -109742.4925 299.1185 -161790.1362 -109376.4532 299.2784 -95.8864 -64.5390 760143.6089 -0.7336 -0.8999 PRESSURE: 3223000 59.8103 -24.6735 9.04415 -24.6732 -74.0443 -3.72679 9.04441 -3.72704 88.5075 GPRESSURE: 3223000 91.7013 -21.7143 -6.67036 -35.3507 -37.0428 54.1257 -27.8381 -112.587 116.764 PRESSAVG: 3223000 -77.2257 -15.3421 -42.1053 -15.3421 65.9299 -11.8315 -42.1053 -11.8316 1.76684 GPRESSAVG: 3223000 -78.7918 -15.4174 -41.2653 -13.9454 65.8141 -11.1694 -44.8105 -13.2612 4.14682 TIMING: 3223000 CPU: 10245.2, 0.00311605/step Wall: 10245.2, 0.00311605/step, 1.53812 hours remaining, 232.929688 MB of memory in use. ENERGY: 3223000 4035.4391 20541.8329 14497.2096 260.0441 -203550.2240 2468.4960 0.0000 0.0000 52107.8340 -109639.3682 299.4644 -161747.2023 -109282.1141 299.0993 24.7579 57.1408 759266.5025 -3.1763 -2.9436 PRESSURE: 3223200 -193.429 118.884 -149.74 118.884 -153.704 -114.564 -149.741 -114.566 -104.714 GPRESSURE: 3223200 -127.566 189.767 -211.857 -14.1449 -119.514 -222.876 -69.1715 -131.805 -114.928 PRESSAVG: 3223200 3.28495 -11.6568 -86.6792 -11.6568 -0.768166 35.927 -86.6791 35.927 8.75326 GPRESSAVG: 3223200 5.43047 -9.9493 -87.1162 -12.2035 -0.556285 36.5687 -82.6828 34.615 6.40967 TIMING: 3223200 CPU: 10245.8, 0.00311376/step Wall: 10245.8, 0.00311376/step, 1.53681 hours remaining, 232.929688 MB of memory in use. ENERGY: 3223200 4026.8936 20552.9146 14456.4123 256.6193 -203373.5956 2398.6114 0.0000 0.0000 52186.9837 -109495.1607 299.9193 -161682.1444 -109123.5727 299.2717 -150.6157 -120.6696 760075.3347 3.7567 3.7613 PRESSURE: 3223400 63.6158 -258.148 93.1967 -258.148 -196.326 37.0025 93.1964 37.0033 -27.7139 GPRESSURE: 3223400 96.8565 -257.429 25.8473 -185.836 -165.323 96.673 76.8976 36.2801 2.11991 PRESSAVG: 3223400 -13.4358 -38.2984 19.6291 -38.2984 -4.71214 31.5236 19.6291 31.5236 -18.6427 GPRESSAVG: 3223400 -14.0457 -36.9994 18.6862 -37.5053 -4.65779 31.2897 16.7309 34.3062 -18.6603 TIMING: 3223400 CPU: 10246.4, 0.00310916/step Wall: 10246.4, 0.00310916/step, 1.53437 hours remaining, 232.929688 MB of memory in use. ENERGY: 3223400 4009.2398 20551.3206 14506.2383 248.5423 -203012.3225 2315.0445 0.0000 0.0000 52044.8118 -109337.1252 299.1022 -161381.9370 -108973.6169 299.6755 -53.4749 -22.1157 762057.5798 -12.2636 -12.4546 PRESSURE: 3223600 206.886 -171.891 44.8604 -171.891 -222.138 53.7154 44.8606 53.7156 -98.866 GPRESSURE: 3223600 239.11 -194.318 -25.2337 -294.361 -93.3207 34.1397 -40.5472 29.4144 -183.287 PRESSAVG: 3223600 -18.3644 -47.3078 -25.0599 -47.3078 19.4879 23.0103 -25.0599 23.0103 -7.52267 GPRESSAVG: 3223600 -18.5164 -47.9913 -24.247 -49.0515 19.4952 23.6491 -24.4316 22.2298 -7.4061 TIMING: 3223600 CPU: 10247, 0.00312956/step Wall: 10247, 0.00312956/step, 1.54426 hours remaining, 232.929688 MB of memory in use. ENERGY: 3223600 3997.6134 20542.1582 14571.0372 257.1309 -203403.8711 2631.9221 0.0000 0.0000 52025.6638 -109378.3454 298.9922 -161404.0093 -109023.7481 299.4242 -38.0392 -12.4993 760675.7140 -2.1331 -2.1424 PRESSURE: 3223800 -318.76 -163.055 -160.068 -163.056 283.321 61.8288 -160.067 61.8294 54.2446 GPRESSURE: 3223800 -267.977 -66.3644 -227.799 -115.35 286.734 117.293 -176.043 48.2194 76.2429 PRESSAVG: 3223800 -28.4564 -23.4199 -3.41981 -23.4198 38.77 0.988402 -3.41981 0.988425 5.53431 GPRESSAVG: 3223800 -29.711 -24.1597 -3.9593 -21.03 38.6608 -0.173242 -1.68903 -0.115357 6.63676 TIMING: 3223800 CPU: 10247.7, 0.00311631/step Wall: 10247.7, 0.00311631/step, 1.53755 hours remaining, 232.929688 MB of memory in use. ENERGY: 3223800 3959.2603 20568.7206 14524.5635 234.9839 -203329.3226 2299.7405 0.0000 0.0000 52181.3886 -109560.6651 299.8872 -161742.0538 -109197.5024 299.4085 6.2685 31.6668 759239.2392 5.2826 5.1955 PRESSURE: 3224000 154.081 -89.807 285.435 -89.8067 -356.769 -203.232 285.435 -203.231 -405.993 GPRESSURE: 3224000 83.0054 -56.3352 290.201 -97.2924 -252.172 -279.303 178.271 -339.143 -363.22 PRESSAVG: 3224000 -51.2305 -60.3896 38.7036 -60.3896 39.1203 -14.4903 38.7035 -14.4903 -4.71961 GPRESSAVG: 3224000 -51.0885 -60.721 39.2681 -62.2009 40.9642 -14.1674 35.7108 -14.2712 -5.99136 TIMING: 3224000 CPU: 10248.3, 0.00312271/step Wall: 10248.3, 0.00312271/step, 1.54054 hours remaining, 232.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3224000 4064.3998 20672.4546 14581.3504 237.9613 -203518.9007 2457.1145 0.0000 0.0000 52170.8161 -109334.8041 299.8264 -161505.6202 -108977.1625 299.5479 -202.8936 -177.4620 761424.1513 -5.6099 -5.3719 PRESSURE: 3224200 53.3113 -183.322 -285.403 -183.322 -24.9292 -54.9017 -285.404 -54.9022 187.303 GPRESSURE: 3224200 28.3622 -139.045 -237.88 -200.324 45.4281 -29.2248 -197.365 -136.921 211.079 PRESSAVG: 3224200 -21.0676 -52.8489 20.4073 -52.849 29.226 -6.29346 20.4073 -6.29352 -1.80608 GPRESSAVG: 3224200 -20.8432 -51.015 17.5455 -54.8423 28.4251 -7.7801 23.256 -5.79775 -0.439017 TIMING: 3224200 CPU: 10248.9, 0.00311723/step Wall: 10248.9, 0.00311723/step, 1.53766 hours remaining, 232.929688 MB of memory in use. ENERGY: 3224200 3997.8843 20551.2911 14612.6307 233.0908 -203567.5844 2731.4524 0.0000 0.0000 51969.4744 -109471.7607 298.6693 -161441.2351 -109119.2237 299.7682 71.8950 94.9564 760450.1456 2.1174 2.3810 LDB: ============= START OF LOAD BALANCING ============== 10261.3 LDB: ============== END OF LOAD BALANCING =============== 10261.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10261.3 LDB: ============= START OF LOAD BALANCING ============== 10261.6 LDB: Largest compute 7078 load 0.030863 is 15.8% of average load 0.195609 LDB: Average compute 0.004399 is 2.2% of average load 0.195609 LDB: TIME 10261.7 LOAD: AVG 0.195609 MAX 0.216431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.23 MB LDB: TIME 10261.7 LOAD: AVG 0.195609 MAX 0.216431 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: TIME 10261.7 LOAD: AVG 0.195609 MAX 0.216431 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: ============== END OF LOAD BALANCING =============== 10261.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10261.7 PRESSURE: 3224400 -181.237 -231.544 263.579 -231.545 -261.459 -41.6324 263.578 -41.6325 48.8554 GPRESSURE: 3224400 -55.3865 -191.866 275.95 -186.436 -250.843 54.6675 169.615 19.6774 7.2064 PRESSAVG: 3224400 -7.20866 -112.639 5.77857 -112.639 1.61333 2.19426 5.77859 2.19425 3.2856 GPRESSAVG: 3224400 -7.51099 -113.832 9.72383 -110.846 2.23938 4.30568 5.52489 2.25914 3.11375 TIMING: 3224400 CPU: 10249.6, 0.00319832/step Wall: 10249.6, 0.00319832/step, 1.57748 hours remaining, 233.816406 MB of memory in use. ENERGY: 3224400 3964.2570 20547.4238 14532.8308 245.1412 -203344.0793 2566.4588 0.0000 0.0000 51947.5855 -109540.3821 298.5435 -161487.9677 -109178.2865 299.0237 -131.2802 -99.6743 762030.0619 -0.7699 -0.7193 PRESSURE: 3224600 456.061 -24.0896 -114.532 -24.0891 -14.9655 89.359 -114.534 89.3583 119.511 GPRESSURE: 3224600 511.573 -82.1207 -167.05 -87.9368 -51.3103 177.567 -104.593 -96.1607 190.061 PRESSAVG: 3224600 9.64165 -14.0916 1.21285 -14.0916 -11.9354 -4.56403 1.21283 -4.56398 16.0665 GPRESSAVG: 3224600 11.5596 -14.9708 -0.777968 -15.5846 -12.172 -4.29681 0.186273 -4.79063 14.4298 TIMING: 3224600 CPU: 10250.2, 0.0031214/step Wall: 10250.2, 0.0031214/step, 1.53937 hours remaining, 233.816406 MB of memory in use. ENERGY: 3224600 4012.8351 20540.7407 14554.0095 228.0433 -203594.8090 2654.6262 0.0000 0.0000 51910.1967 -109694.3576 298.3286 -161604.5543 -109344.1423 298.8136 186.8687 216.7744 760525.5492 4.5909 4.6058 PRESSURE: 3224800 -229.451 -90.8509 44.3409 -90.8501 -29.9324 7.72854 44.3411 7.72829 95.0129 GPRESSURE: 3224800 -269.682 -131.294 11.3962 -16.6429 48.8868 -3.61925 -22.5549 45.8422 125.518 PRESSAVG: 3224800 -41.0507 -39.2523 14.2785 -39.2523 39.638 -32.0606 14.2785 -32.0605 -3.18159 GPRESSAVG: 3224800 -42.0308 -39.012 15.4432 -36.8965 38.489 -30.8288 15.0044 -31.08 -1.26483 TIMING: 3224800 CPU: 10250.8, 0.00311706/step Wall: 10250.8, 0.00311706/step, 1.53706 hours remaining, 233.816406 MB of memory in use. ENERGY: 3224800 4032.0244 20577.7425 14535.1005 258.5554 -203766.9066 2646.6293 0.0000 0.0000 52024.8061 -109692.0484 298.9873 -161716.8545 -109332.6156 298.6879 -54.7901 -31.7589 760300.9691 -1.5314 -1.6022 PRESSURE: 3225000 200.502 83.5946 14.6933 83.5935 -152.362 -2.47106 14.6927 -2.471 32.1389 GPRESSURE: 3225000 220.02 65.3065 43.721 59.4027 -118.409 -78.4017 12.1236 29.095 52.4349 PRESSAVG: 3225000 9.87379 10.0079 -11.2561 10.0079 20.151 -52.3716 -11.2562 -52.3715 0.431224 GPRESSAVG: 3225000 10.1942 8.70212 -13.3704 10.6077 21.3007 -54.7598 -10.6743 -52.8953 -0.525895 TIMING: 3225000 CPU: 10251.4, 0.00312277/step Wall: 10251.4, 0.00312277/step, 1.5397 hours remaining, 233.816406 MB of memory in use. ENERGY: 3225000 3911.4902 20401.4252 14545.9700 227.9245 -203569.5812 2691.1770 0.0000 0.0000 52081.3310 -109710.2632 299.3121 -161791.5943 -109340.1309 299.0658 26.7597 51.3485 761309.2617 10.1520 10.3230 PRESSURE: 3225200 -194.174 151.816 264.713 151.816 14.3491 -109.857 264.712 -109.858 -85.0737 GPRESSURE: 3225200 -143.554 -30.8638 176.809 10.1213 33.3295 -35.6046 262.282 -40.1171 -58.13 PRESSAVG: 3225200 25.8475 28.6562 -10.7305 28.6562 6.56911 44.5934 -10.7306 44.5934 0.429329 GPRESSAVG: 3225200 26.4843 28.802 -9.80744 26.387 5.5152 45.5295 -10.7331 44.1624 1.33841 TIMING: 3225200 CPU: 10252, 0.00312773/step Wall: 10252, 0.00312773/step, 1.54197 hours remaining, 233.816406 MB of memory in use. ENERGY: 3225200 4049.5147 20335.4842 14547.9860 251.4656 -203515.8180 2598.8084 0.0000 0.0000 51955.6929 -109776.8662 298.5901 -161732.5591 -109421.2405 298.7635 -88.2996 -56.1182 759249.5610 10.9486 11.1126 PRESSURE: 3225400 428.815 24.8563 15.9412 24.856 -9.75123 237.868 15.9413 237.868 150.986 GPRESSURE: 3225400 491.655 33.6789 193.248 17.9051 -36.5555 150.597 -26.8757 243.333 209.269 PRESSAVG: 3225400 19.7089 -7.68212 -13.7376 -7.68209 19.0892 11.0348 -13.7377 11.0348 16.3629 GPRESSAVG: 3225400 19.4404 -7.93375 -13.8814 -7.93051 19.1978 10.2572 -13.3303 13.5373 16.4773 TIMING: 3225400 CPU: 10252.7, 0.00311557/step Wall: 10252.7, 0.00311557/step, 1.5358 hours remaining, 233.816406 MB of memory in use. ENERGY: 3225400 4005.4168 20402.8955 14536.5902 253.8782 -203664.2528 2867.1402 0.0000 0.0000 51961.3469 -109636.9849 298.6226 -161598.3319 -109278.1358 298.4244 190.0163 221.4561 760107.4856 18.3870 18.3718 PRESSURE: 3225600 -292.277 -223.6 -116.89 -223.599 -202.396 68.5943 -116.891 68.5946 -382.181 GPRESSURE: 3225600 -267.415 -131.172 29.5335 -81.7026 -161.954 -60.6498 -67.9524 -69.5645 -364.22 PRESSAVG: 3225600 -49.0576 36.4918 0.618404 36.4918 2.89597 33.5042 0.618374 33.5041 3.43591 GPRESSAVG: 3225600 -47.9287 36.7987 2.55761 36.9325 2.9161 34.6938 -0.31092 29.4986 2.86077 TIMING: 3225600 CPU: 10253.3, 0.00311063/step Wall: 10253.3, 0.00311063/step, 1.5332 hours remaining, 233.816406 MB of memory in use. ENERGY: 3225600 3947.0061 20292.1504 14576.7303 252.0911 -203407.9471 2396.0658 0.0000 0.0000 52012.4780 -109931.4254 298.9164 -161943.9034 -109563.5778 298.4912 -292.2844 -264.5299 760415.9150 -14.2419 -14.0506 PRESSURE: 3225800 52.1562 -106.954 41.0758 -106.954 102.983 -291.822 41.0761 -291.821 43.6618 GPRESSURE: 3225800 59.7099 -46.0943 -0.0456827 -71.2337 116.849 -277.944 41.2468 -226.342 104.594 PRESSAVG: 3225800 -41.5769 17.4208 -12.4266 17.4208 2.46316 8.69786 -12.4267 8.69795 -0.845231 GPRESSAVG: 3225800 -42.184 16.5173 -15.1618 17.9187 2.73189 8.2372 -11.4335 9.02 -0.511752 TIMING: 3225800 CPU: 10253.9, 0.0031287/step Wall: 10253.9, 0.0031287/step, 1.54193 hours remaining, 233.816406 MB of memory in use. ENERGY: 3225800 4020.7968 20292.5268 14569.6589 253.4300 -203501.7910 2630.5972 0.0000 0.0000 51844.8743 -109889.9069 297.9532 -161734.7813 -109525.2272 298.8684 66.2670 93.7178 760566.2379 -13.3197 -13.3213 PRESSURE: 3226000 200.996 -105.188 -146.746 -105.187 212.815 112.102 -146.747 112.103 383.237 GPRESSURE: 3226000 178.413 -128.596 -31.4637 -254.633 295.738 94.1469 -140.259 201.653 412.146 PRESSAVG: 3226000 -7.93181 -21.4669 8.20793 -21.467 14.4315 -36.6998 8.20795 -36.6998 -23.4511 GPRESSAVG: 3226000 -8.66663 -21.8707 10.4217 -21.7556 15.1733 -37.0931 7.21545 -36.1995 -23.3548 TIMING: 3226000 CPU: 10254.5, 0.00310862/step Wall: 10254.5, 0.00310862/step, 1.53186 hours remaining, 233.816406 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: 3226000 3906.6236 20544.4320 14428.6021 239.0553 -203511.3986 2718.3285 0.0000 0.0000 52014.7654 -109659.5917 298.9296 -161674.3571 -109299.6812 299.0178 265.6827 295.4324 759573.0567 -5.6504 -5.6161 PRESSURE: 3226200 -36.5968 14.1794 32.2787 14.1794 -263.162 -71.1392 32.278 -71.1385 -90.103 GPRESSURE: 3226200 55.4702 45.6324 78.3378 68.8571 -235.19 -101.585 65.2405 -185.674 -130.108 PRESSAVG: 3226200 -2.29045 30.9968 9.91761 30.9968 -6.4602 -35.1199 9.91769 -35.1199 24.6869 GPRESSAVG: 3226200 -0.830058 33.8656 9.64722 32.0883 -6.70014 -35.0629 9.16333 -35.7239 23.5321 TIMING: 3226200 CPU: 10255.2, 0.00311009/step Wall: 10255.2, 0.00311009/step, 1.53241 hours remaining, 233.816406 MB of memory in use. ENERGY: 3226200 3946.1515 20526.3229 14518.0653 271.8161 -203179.9755 2418.4887 0.0000 0.0000 51777.6855 -109721.4456 297.5671 -161499.1311 -109360.5815 298.9670 -129.9541 -103.2759 762319.8642 5.3121 5.3340 PRESSURE: 3226400 -101.218 93.5302 -90.7871 93.5302 -183.213 -167.194 -90.7878 -167.193 -199.55 GPRESSURE: 3226400 -110.126 -4.40939 -116.851 17.7403 -156.024 -106.96 27.4693 -225.423 -139.382 PRESSAVG: 3226400 17.5715 11.3773 -25.3435 11.3774 -80.7507 17.2735 -25.3435 17.2734 -17.0411 GPRESSAVG: 3226400 16.1486 9.10826 -24.4341 8.90825 -80.0078 17.3388 -24.6626 18.7421 -15.9736 TIMING: 3226400 CPU: 10255.8, 0.00310605/step Wall: 10255.8, 0.00310605/step, 1.53025 hours remaining, 233.816406 MB of memory in use. ENERGY: 3226400 3930.2917 20537.0083 14515.9202 236.2458 -203732.2662 2661.1637 0.0000 0.0000 52033.3098 -109818.3265 299.0361 -161851.6364 -109451.1597 298.6685 -161.3268 -135.1775 762154.0350 -26.7401 -26.6109 PRESSURE: 3226600 216.171 47.0051 -236.478 47.0059 119.944 159.458 -236.479 159.457 139 GPRESSURE: 3226600 275.827 90.6833 -185.261 -26.95 186.216 27.4844 -78.1634 100.657 108.481 PRESSAVG: 3226600 27.3502 32.2822 -23.0709 32.2822 -2.54922 37.5362 -23.0708 37.5363 1.28793 GPRESSAVG: 3226600 28.9142 29.4447 -24.4411 34.7668 -3.76735 36.134 -21.9618 39.3394 1.42106 TIMING: 3226600 CPU: 10256.4, 0.00311853/step Wall: 10256.4, 0.00311853/step, 1.53622 hours remaining, 233.816406 MB of memory in use. ENERGY: 3226600 3947.4666 20486.5085 14545.1614 273.1424 -203246.9463 2345.5793 0.0000 0.0000 51815.5695 -109833.5186 297.7848 -161649.0881 -109473.4465 298.4657 158.3716 190.1747 761108.9932 8.6963 8.8560 PRESSURE: 3226800 -43.3664 -172.09 146.177 -172.091 -195.492 374.78 146.177 374.779 307.081 GPRESSURE: 3226800 44.7357 -151.008 125.921 -141.837 -107.431 388.103 140.206 272.28 206.492 PRESSAVG: 3226800 -18.4694 20.848 -66.795 20.848 26.8386 9.83959 -66.795 9.83954 0.132229 GPRESSAVG: 3226800 -19.1306 23.9998 -65.6671 18.2358 26.6265 10.7949 -67.1099 8.59545 1.00367 TIMING: 3226800 CPU: 10257, 0.00312884/step Wall: 10257, 0.00312884/step, 1.54113 hours remaining, 233.816406 MB of memory in use. ENERGY: 3226800 4043.5691 20443.2840 14546.0049 249.7114 -204083.9641 2842.6262 0.0000 0.0000 52126.0744 -109832.6941 299.5693 -161958.7685 -109472.9486 299.0180 22.7409 47.9322 760950.4618 2.8338 2.8332 PRESSURE: 3227000 -114.287 -229.096 -59.6042 -229.096 -50.3915 43.7231 -59.605 43.7227 244.1 GPRESSURE: 3227000 -71.9571 -45.5616 -78.3076 -170.229 -45.8904 18.6755 -56.1495 -63.8149 311.768 PRESSAVG: 3227000 7.57774 -23.6234 -5.334 -23.6234 20.9181 57.7386 -5.33401 57.7386 10.6865 GPRESSAVG: 3227000 5.94383 -22.98 -6.42657 -23.7728 24.0155 59.7771 -5.36959 55.0341 9.5286 TIMING: 3227000 CPU: 10257.7, 0.00311693/step Wall: 10257.7, 0.00311693/step, 1.53509 hours remaining, 233.816406 MB of memory in use. ENERGY: 3227000 3932.9313 20550.4323 14482.0147 269.4996 -203359.9921 2424.0647 0.0000 0.0000 51879.1558 -109821.8937 298.1502 -161701.0495 -109451.7627 299.1109 26.4738 64.6400 761312.7422 13.0608 13.1626 PRESSURE: 3227200 160.56 -54.5465 -31.074 -54.5473 -616.704 -86.9164 -31.074 -86.9167 -206.867 GPRESSURE: 3227200 168.04 -47.5822 -75.0415 64.4209 -503.177 -105.057 -1.21825 -183.65 -223.736 PRESSAVG: 3227200 37.0483 8.92306 -38.8365 8.92305 -56.1836 16.9002 -38.8366 16.9002 9.8801 GPRESSAVG: 3227200 38.6181 7.39005 -37.5192 9.65896 -57.6879 15.6075 -40.2354 18.5453 9.20796 TIMING: 3227200 CPU: 10258.3, 0.00311394/step Wall: 10258.3, 0.00311394/step, 1.53344 hours remaining, 233.816406 MB of memory in use. ENERGY: 3227200 3933.8290 20496.1475 14463.2618 239.2675 -203510.1668 2571.8783 0.0000 0.0000 52161.9610 -109643.8218 299.7755 -161805.7828 -109290.7300 299.0843 -221.0036 -186.2909 761773.1587 -3.0851 -3.2873 PRESSURE: 3227400 -8.26482 -116.109 164.617 -116.109 146.686 -70.4782 164.618 -70.479 -350.742 GPRESSURE: 3227400 52.4067 -89.2844 119.443 -28.928 154.919 -14.9064 150.53 67.3578 -340.575 PRESSAVG: 3227400 21.1586 -71.3515 -0.038177 -71.3515 -22.5168 18.6294 -0.0381246 18.6294 -24.2665 GPRESSAVG: 3227400 20.7202 -72.0092 -1.12883 -68.312 -22.5224 19.5272 0.779449 17.5878 -23.5596 TIMING: 3227400 CPU: 10258.9, 0.0031171/step Wall: 10258.9, 0.0031171/step, 1.53483 hours remaining, 233.816406 MB of memory in use. ENERGY: 3227400 3929.1216 20525.0103 14426.0053 239.5964 -202999.4456 2144.2162 0.0000 0.0000 52183.5923 -109551.9034 299.8998 -161735.4957 -109182.1569 299.0811 -70.7737 -44.4166 760998.8218 -8.5415 -8.4539 PRESSURE: 3227600 72.9748 -74.4867 206.867 -74.4871 -39.9427 -176.67 206.867 -176.67 -8.1973 GPRESSURE: 3227600 62.4646 -101.85 257.914 -181.752 15.6079 -110.74 136.659 -129.21 26.723 PRESSAVG: 3227600 22.373 -50.0463 -70.6848 -50.0463 5.11609 -12.386 -70.6847 -12.3861 -1.65677 GPRESSAVG: 3227600 21.9769 -48.7334 -70.3146 -51.3821 5.80728 -14.2306 -72.7074 -10.032 -1.8728 TIMING: 3227600 CPU: 10259.5, 0.00312687/step Wall: 10259.5, 0.00312687/step, 1.53946 hours remaining, 233.816406 MB of memory in use. ENERGY: 3227600 3987.7427 20613.7833 14513.6827 237.7669 -202908.7328 2388.0275 0.0000 0.0000 51823.3854 -109344.3444 297.8297 -161167.7298 -109001.4616 299.4572 8.2782 34.9318 761677.7736 8.6108 8.6371 PRESSURE: 3227800 207.367 30.478 -71.7793 30.4777 49.8134 -52.6455 -71.7797 -52.6459 235.594 GPRESSURE: 3227800 292.785 22.7953 -115.414 -21.6164 3.20828 -38.9994 48.3569 -232.653 284.781 PRESSAVG: 3227800 0.894516 34.8915 41.6873 34.8914 -4.56075 -88.4437 41.6873 -88.4437 -9.62135 GPRESSAVG: 3227800 2.32718 35.468 40.2323 32.682 -5.39924 -87.1749 42.6271 -90.3572 -10.399 TIMING: 3227800 CPU: 10260.2, 0.00312974/step Wall: 10260.2, 0.00312974/step, 1.5407 hours remaining, 233.816406 MB of memory in use. ENERGY: 3227800 4003.9881 20320.6052 14486.1648 237.0406 -203537.1595 2737.0243 0.0000 0.0000 52263.3816 -109488.9550 300.3584 -161752.3366 -109136.9791 299.2643 164.2581 193.5914 759036.6237 -4.4292 -4.4904 PRESSURE: 3228000 -132.006 -55.3662 -304.258 -55.3673 -250.469 237.503 -304.258 237.503 -133.226 GPRESSURE: 3228000 -189.722 -106.1 -318.955 -32.1559 -122.854 207.642 -122.934 226.611 -129.893 PRESSAVG: 3228000 51.497 -9.9387 -6.56081 -9.93871 -42.802 -68.3446 -6.56088 -68.3446 -3.67526 GPRESSAVG: 3228000 50.866 -12.1513 -5.86369 -8.26443 -42.4923 -69.183 -7.03514 -69.0622 -3.12951 TIMING: 3228000 CPU: 10260.8, 0.00313178/step Wall: 10260.8, 0.00313178/step, 1.54153 hours remaining, 233.816406 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: 3228000 4022.9765 20586.7236 14458.7934 242.6873 -203344.1885 2482.0612 0.0000 0.0000 51878.6240 -109672.3225 298.1472 -161550.9464 -109323.1705 298.7327 -171.8999 -147.4900 762474.9011 1.6733 1.7481 PRESSURE: 3228200 83.4898 -85.0571 -117.321 -85.0569 -84.5458 -79.7424 -117.321 -79.7437 -354.007 GPRESSURE: 3228200 44.8289 -89.2281 -105.189 -64.9448 -25.8526 -90.8638 -66.5662 -69.8452 -262.679 PRESSAVG: 3228200 -33.3087 -26.6605 -10.7352 -26.6605 21.6805 22.6676 -10.7352 22.6676 -2.17476 GPRESSAVG: 3228200 -32.7211 -27.2282 -9.38602 -27.1599 20.7928 22.8186 -10.5731 26.2278 -2.12571 TIMING: 3228200 CPU: 10261.4, 0.00310361/step Wall: 10261.4, 0.00310361/step, 1.52749 hours remaining, 233.816406 MB of memory in use. ENERGY: 3228200 3914.5428 20464.2556 14548.8795 260.5633 -203043.3919 2454.6211 0.0000 0.0000 51855.4749 -109545.0547 298.0141 -161400.5296 -109170.4417 298.6375 -118.3545 -81.2344 761674.4006 -4.6010 -4.6847 LDB: ============= START OF LOAD BALANCING ============== 10273.8 LDB: ============== END OF LOAD BALANCING =============== 10273.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10273.8 LDB: ============= START OF LOAD BALANCING ============== 10274.1 LDB: Largest compute 7078 load 0.030743 is 15.7% of average load 0.195530 LDB: Average compute 0.004388 is 2.2% of average load 0.195530 LDB: TIME 10274.1 LOAD: AVG 0.19553 MAX 0.215722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.723 MB LDB: TIME 10274.1 LOAD: AVG 0.19553 MAX 0.215722 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.727 MB LDB: TIME 10274.1 LOAD: AVG 0.19553 MAX 0.215722 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.727 MB LDB: ============== END OF LOAD BALANCING =============== 10274.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10274.1 PRESSURE: 3228400 37.9183 -42.7596 -35.6414 -42.7596 162.557 65.0843 -35.6403 65.0842 -169.76 GPRESSURE: 3228400 -6.70341 -157.457 -83.3505 45.6877 237.734 88.6284 -135.452 77.2389 -123.709 PRESSAVG: 3228400 -32.5036 -60.8038 21.3936 -60.8038 52.2635 -15.291 21.3935 -15.2911 14.0898 GPRESSAVG: 3228400 -33.5654 -61.3374 20.0554 -59.7056 51.861 -15.4978 19.7748 -16.3729 14.962 TIMING: 3228400 CPU: 10262, 0.00317632/step Wall: 10262, 0.00317632/step, 1.5631 hours remaining, 233.421875 MB of memory in use. ENERGY: 3228400 4011.6885 20400.5067 14571.4565 239.8600 -203223.8482 2454.1047 0.0000 0.0000 51962.8883 -109583.3434 298.6314 -161546.2318 -109218.4849 298.8182 10.2388 35.7742 761492.6825 11.2832 11.0859 PRESSURE: 3228600 0.526164 -67.012 26.4391 -67.0115 109.68 95.9755 26.4384 95.9759 433.252 GPRESSURE: 3228600 -25.3804 -143.708 13.7155 42.9309 216.574 -36.8097 -8.82156 164.137 441.19 PRESSAVG: 3228600 16.381 -62.2285 -2.56019 -62.2286 9.63509 2.54252 -2.56019 2.54253 4.59891 GPRESSAVG: 3228600 17.0855 -61.8024 -1.58256 -60.5931 11.1399 0.816522 -1.30554 4.57285 2.43339 TIMING: 3228600 CPU: 10262.7, 0.00311284/step Wall: 10262.7, 0.00311284/step, 1.53169 hours remaining, 233.406250 MB of memory in use. ENERGY: 3228600 3958.7880 20535.1998 14530.9643 253.5249 -203590.2933 2700.8684 0.0000 0.0000 51990.0511 -109620.8967 298.7875 -161610.9478 -109261.2468 299.0188 181.1526 210.7945 761121.1336 10.2050 10.2196 PRESSURE: 3228800 -51.3792 -63.8029 -12.1537 -63.8016 102.929 -31.763 -12.1539 -31.7627 7.14539 GPRESSURE: 3228800 -46.2953 25.8662 53.6659 -113.092 118.964 -38.9461 89.2103 24.2668 80.5985 PRESSAVG: 3228800 -37.0609 -35.9434 23.8655 -35.9433 17.9838 13.3916 23.8655 13.3916 11.631 GPRESSAVG: 3228800 -37.1283 -35.4524 24.1821 -38.141 16.272 15.8033 24.1649 9.68881 13.2368 TIMING: 3228800 CPU: 10263.3, 0.00312363/step Wall: 10263.3, 0.00312363/step, 1.53683 hours remaining, 233.546875 MB of memory in use. ENERGY: 3228800 3977.1327 20326.3850 14434.1611 244.8995 -203142.9746 2600.7197 0.0000 0.0000 51885.8273 -109673.8493 298.1886 -161559.6765 -109307.7735 298.1896 19.5650 51.0890 762418.2503 -2.4820 -2.5399 PRESSURE: 3229000 51.5358 25.2604 -71.6869 25.2599 -163.72 -50.7459 -71.6862 -50.747 74.0696 GPRESSURE: 3229000 105.079 28.8445 -2.79973 164.474 -115.476 -78.7094 -29.9924 -25.4556 48.5985 PRESSAVG: 3229000 38.6967 -39.538 13.6881 -39.5379 -9.73825 27.4927 13.6881 27.4926 23.1087 GPRESSAVG: 3229000 38.8398 -39.0538 14.494 -41.0407 -8.04662 25.7609 11.106 27.2497 21.5445 TIMING: 3229000 CPU: 10263.9, 0.003122/step Wall: 10263.9, 0.003122/step, 1.53585 hours remaining, 233.546875 MB of memory in use. ENERGY: 3229000 3959.6542 20466.4083 14421.1504 245.4720 -203131.8916 2568.0456 0.0000 0.0000 51907.1376 -109564.0234 298.3110 -161471.1610 -109193.1709 299.0278 -12.7048 12.7339 761755.4567 17.3557 17.4459 PRESSURE: 3229200 180.912 -9.86439 87.2401 -9.86382 247.163 -29.5068 87.24 -29.5058 286.125 GPRESSURE: 3229200 216.335 -33.7082 117.9 -44.4327 329.254 -28.4733 68.7646 103.498 260.539 PRESSAVG: 3229200 -2.04663 -17.63 65.9023 -17.6299 9.24897 22.4881 65.9023 22.4882 3.02292 GPRESSAVG: 3229200 -1.74394 -16.3535 63.7092 -16.2519 7.05397 22.3467 67.6652 22.6453 4.77355 TIMING: 3229200 CPU: 10264.5, 0.00311227/step Wall: 10264.5, 0.00311227/step, 1.53089 hours remaining, 233.757812 MB of memory in use. ENERGY: 3229200 3927.0195 20488.7950 14510.2638 254.8545 -203172.1284 2484.7148 0.0000 0.0000 52016.5046 -109489.9761 298.9396 -161506.4807 -109136.3066 298.5192 238.0667 268.7096 761191.0751 3.4084 3.3612 PRESSURE: 3229400 -125.984 -37.3088 2.84703 -37.3086 -258.75 -7.90207 2.8476 -7.90175 -268.366 GPRESSURE: 3229400 -125.253 26.9639 34.8397 -10.6778 -198.832 7.83064 -44.3052 107.189 -245.024 PRESSAVG: 3229400 -56.9019 -41.9477 18.3234 -41.9476 86.6856 -30.2557 18.3234 -30.2557 -14.1524 GPRESSAVG: 3229400 -57.8697 -40.9448 19.4437 -43.2376 87.283 -29.0694 19.3766 -28.8519 -14.276 TIMING: 3229400 CPU: 10265.2, 0.00312105/step Wall: 10265.2, 0.00312105/step, 1.53504 hours remaining, 233.757812 MB of memory in use. ENERGY: 3229400 4009.3041 20547.1309 14540.3250 253.7894 -202963.5668 2226.6031 0.0000 0.0000 52056.6926 -109329.7217 299.1705 -161386.4143 -108954.8471 299.2230 -217.7001 -189.7027 761323.0667 5.2104 5.0458 PRESSURE: 3229600 134.928 152.492 322.454 152.492 59.8035 -26.4813 322.455 -26.4808 163.793 GPRESSURE: 3229600 123.879 94.5771 303.692 37.2589 185.095 29.3259 274.225 32.7291 119.127 PRESSAVG: 3229600 0.128267 -20.1101 4.65872 -20.1101 -35.8135 -17.9593 4.65869 -17.9593 58.0687 GPRESSAVG: 3229600 -0.290131 -21.8152 3.84968 -20.2234 -35.5791 -19.5481 3.3443 -17.3874 57.8682 TIMING: 3229600 CPU: 10265.8, 0.00311454/step Wall: 10265.8, 0.00311453/step, 1.53166 hours remaining, 233.757812 MB of memory in use. ENERGY: 3229600 3969.1857 20503.8779 14487.0661 246.1784 -203486.8062 2596.1281 0.0000 0.0000 52108.8904 -109575.4797 299.4705 -161684.3701 -109219.7329 299.4393 119.5082 142.7001 759825.3225 7.4612 7.3330 PRESSURE: 3229800 -111.009 -119.863 -127.28 -119.862 -37.9053 44.3321 -127.279 44.3316 -136.041 GPRESSURE: 3229800 -64.8783 -145.365 -88.1787 -31.8691 -1.93193 63.692 -102.441 -91.1149 -124.422 PRESSAVG: 3229800 -33.7587 -42.4845 15.0135 -42.4844 56.0701 36.9175 15.0136 36.9175 6.6116 GPRESSAVG: 3229800 -31.5455 -42.4341 15.2974 -41.9382 54.2242 38.476 15.4902 32.373 6.57751 TIMING: 3229800 CPU: 10266.4, 0.00310169/step Wall: 10266.4, 0.00310169/step, 1.52517 hours remaining, 233.757812 MB of memory in use. ENERGY: 3229800 4037.5010 20544.5694 14456.1339 240.5658 -203313.6898 2375.0404 0.0000 0.0000 51912.2275 -109747.6518 298.3403 -161659.8793 -109388.0812 298.6225 -94.9850 -63.7442 759438.8227 9.6410 9.7521 PRESSURE: 3230000 -184.697 115.361 169.325 115.362 291.514 96.4924 169.326 96.4916 599.471 GPRESSURE: 3230000 -132.765 138.613 87.5253 104.712 315.637 210.749 196.977 92.668 599.347 PRESSAVG: 3230000 -55.6326 -14.8652 7.34022 -14.8652 66.9374 -0.913074 7.34022 -0.91305 8.92422 GPRESSAVG: 3230000 -56.5109 -14.8538 6.57211 -15.8752 68.1288 -0.99301 6.06095 2.5078 8.57242 TIMING: 3230000 CPU: 10267, 0.00312111/step Wall: 10267, 0.00312111/step, 1.53454 hours remaining, 233.757812 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: 3230000 3943.3546 20540.6872 14431.8487 251.8175 -202921.4278 2416.9576 0.0000 0.0000 51731.3690 -109605.3933 297.3009 -161336.7623 -109250.9716 298.4115 235.4293 260.7396 760041.1399 6.7430 6.7301 PRESSURE: 3230200 0.546717 -108.257 -296.816 -108.258 -372.83 -53.2511 -296.817 -53.2522 216.189 GPRESSURE: 3230200 42.8669 -16.3635 -311.472 -185.955 -318.232 -126.343 -352.804 8.35245 214.394 PRESSAVG: 3230200 13.6069 -52.4633 -61.9081 -52.4633 -1.70737 6.74729 -61.9082 6.74728 19.3359 GPRESSAVG: 3230200 14.1019 -51.4302 -61.367 -52.6874 -1.18254 5.15245 -61.4006 6.41494 18.2735 TIMING: 3230200 CPU: 10267.6, 0.00311548/step Wall: 10267.6, 0.00311548/step, 1.5316 hours remaining, 233.757812 MB of memory in use. ENERGY: 3230200 3992.3503 20406.6012 14485.9557 263.1500 -202763.8448 2157.1815 0.0000 0.0000 52097.6201 -109360.9861 299.4057 -161458.6062 -109006.7945 298.5323 -52.0314 -20.3237 761115.9736 10.4118 10.3976 PRESSURE: 3230400 49.5336 -9.95294 210.95 -9.95224 -192.594 -70.1856 210.95 -70.1863 -276.764 GPRESSURE: 3230400 128.817 54.5367 256.635 -67.1193 -143.722 -76.1749 132.976 -49.6406 -285.958 PRESSAVG: 3230400 2.59062 -32.2191 -22.6396 -32.2192 25.3563 -8.27136 -22.6396 -8.27125 1.7294 GPRESSAVG: 3230400 2.09691 -31.7693 -21.726 -30.3565 24.7323 -5.94334 -24.7542 -8.7647 3.22947 TIMING: 3230400 CPU: 10268.3, 0.00314172/step Wall: 10268.3, 0.00314172/step, 1.54433 hours remaining, 233.757812 MB of memory in use. ENERGY: 3230400 3991.6811 20321.3834 14455.3214 248.0736 -203112.2388 2545.9470 0.0000 0.0000 52338.4525 -109211.3797 300.7898 -161549.8323 -108844.2771 299.5146 -139.9416 -100.2876 761957.8255 9.8921 10.0196 PRESSURE: 3230600 -161.049 -231.694 -143.627 -231.695 202.92 107.841 -143.627 107.841 -3.57845 GPRESSURE: 3230600 -125.039 -249.116 -155.316 -205.139 317.676 162.953 -81.9976 -66.9104 -54.576 PRESSAVG: 3230600 4.06641 -85.0633 -25.1476 -85.0633 -22.2919 -11.43 -25.1475 -11.43 -2.3258 GPRESSAVG: 3230600 2.51986 -86.0003 -25.0714 -84.4322 -20.9879 -12.446 -23.9344 -10.6021 -2.08025 TIMING: 3230600 CPU: 10268.9, 0.00313113/step Wall: 10268.9, 0.00313113/step, 1.53895 hours remaining, 233.757812 MB of memory in use. ENERGY: 3230600 3947.9055 20445.2457 14547.3158 244.2954 -203120.4195 2638.0783 0.0000 0.0000 52018.3595 -109279.2193 298.9502 -161297.5787 -108910.3979 299.4247 12.7642 46.0202 761556.2339 -6.8504 -6.8494 PRESSURE: 3230800 -195.429 5.09227 -6.49071 5.09195 66.1669 276.671 -6.49094 276.671 -159.705 GPRESSURE: 3230800 -87.36 146.554 -71.7488 101.989 -32.797 316.827 -31.033 236.521 -72.658 PRESSAVG: 3230800 -47.8392 -28.9379 -6.29435 -28.9379 -0.931308 -3.71292 -6.29431 -3.71288 18.4969 GPRESSAVG: 3230800 -46.4216 -28.9699 -6.57359 -28.6392 -2.67904 -4.43018 -6.06493 -2.86413 18.7297 TIMING: 3230800 CPU: 10269.5, 0.00312616/step Wall: 10269.5, 0.00312616/step, 1.53633 hours remaining, 233.757812 MB of memory in use. ENERGY: 3230800 3966.7016 20361.5183 14514.3665 249.1753 -203046.6220 2522.6702 0.0000 0.0000 52078.1483 -109354.0418 299.2938 -161432.1900 -108986.0143 299.6337 -96.3223 -64.2717 761507.3238 -10.0912 -10.1237 PRESSURE: 3231000 -9.75586 -108.625 -234.883 -108.625 -123.702 119.331 -234.882 119.33 -127.184 GPRESSURE: 3231000 -39.4969 -124.54 -281.171 -83.1429 -23.8021 174.739 -246.898 82.7717 -137.908 PRESSAVG: 3231000 1.42847 -40.1459 -18.1488 -40.1458 37.3239 69.4073 -18.1488 69.4073 12.107 GPRESSAVG: 3231000 2.31683 -38.7285 -18.9855 -40.5343 38.2108 68.1263 -19.9193 70.9087 10.6394 TIMING: 3231000 CPU: 10270.2, 0.00313077/step Wall: 10270.2, 0.00313077/step, 1.53842 hours remaining, 233.757812 MB of memory in use. ENERGY: 3231000 3983.0564 20579.4385 14497.7642 252.6172 -203056.2707 2551.7032 0.0000 0.0000 51988.7016 -109202.9897 298.7798 -161191.6913 -108837.1910 299.6228 -86.8808 -67.0691 762594.1583 16.9531 17.0557 PRESSURE: 3231200 -252.886 -83.4041 311.069 -83.4043 -5.01113 -57.4943 311.068 -57.4941 -419.219 GPRESSURE: 3231200 -191.977 -116.399 276.641 -95.3323 7.49932 -175.285 433.428 -35.9283 -420.139 PRESSAVG: 3231200 45.1026 -36.2081 39.1722 -36.2081 -35.1329 6.32941 39.1722 6.32937 7.29906 GPRESSAVG: 3231200 44.8759 -36.3392 40.6292 -37.5789 -34.7237 6.71578 39.5324 4.97869 7.64892 TIMING: 3231200 CPU: 10270.8, 0.00311877/step Wall: 10270.8, 0.00311877/step, 1.53236 hours remaining, 233.757812 MB of memory in use. ENERGY: 3231200 4036.9818 20526.7675 14495.4067 225.0012 -202940.3965 2546.0825 0.0000 0.0000 52220.9628 -108889.1940 300.1146 -161110.1568 -108537.0125 299.9893 -225.7054 -201.5391 763423.2867 5.7563 5.9337 PRESSURE: 3231400 -312.251 -149.084 25.5584 -149.083 44.5385 -66.7089 25.5577 -66.7085 41.7509 GPRESSURE: 3231400 -288.568 -148.438 38.5312 -195.009 122.554 -95.8696 35.3186 58.2696 36.0758 PRESSAVG: 3231400 -21.2605 -22.1392 -7.59304 -22.1392 11.9432 -11.0022 -7.5931 -11.0021 -8.108 GPRESSAVG: 3231400 -21.5133 -22.447 -6.95022 -23.318 12.8404 -7.20557 -6.58511 -11.7971 -8.26853 TIMING: 3231400 CPU: 10271.4, 0.0031382/step Wall: 10271.4, 0.0031382/step, 1.54173 hours remaining, 233.757812 MB of memory in use. ENERGY: 3231400 4024.5751 20422.7770 14466.3052 245.4583 -203093.5969 2673.8880 0.0000 0.0000 52540.6382 -108719.9551 301.9518 -161260.5933 -108367.3982 300.4841 -75.3206 -43.3125 761160.9926 -5.8085 -5.6472 PRESSURE: 3231600 -155.111 -36.7415 84.6667 -36.7413 189.071 -34.1908 84.666 -34.1907 -81.2289 GPRESSURE: 3231600 -50.7573 5.14083 143.539 -30.2461 190.458 -9.96659 34.9334 -20.0155 -102.483 PRESSAVG: 3231600 -10.9772 -32.2601 18.5604 -32.2601 14.0937 -10.3162 18.5604 -10.3162 -22.5329 GPRESSAVG: 3231600 -11.1354 -33.3223 17.9106 -29.8239 12.3957 -12.645 17.4501 -10.5702 -21.2124 TIMING: 3231600 CPU: 10272, 0.00314263/step Wall: 10272, 0.00314264/step, 1.54373 hours remaining, 233.757812 MB of memory in use. ENERGY: 3231600 3960.4711 20567.7342 14481.8559 254.5933 -203038.5011 2466.0549 0.0000 0.0000 52345.0738 -108962.7179 300.8279 -161307.7917 -108588.8129 300.8782 -15.7564 12.4060 762446.1725 -6.4721 -6.6507 PRESSURE: 3231800 189.04 212.453 24.0845 212.453 -41.9175 84.2983 24.0854 84.2983 57.3073 GPRESSURE: 3231800 208.452 136.063 -39.0757 186.189 -71.1914 109.634 15.8775 -108.412 140.68 PRESSAVG: 3231800 18.8231 -22.0186 -4.8635 -22.0186 -24.3127 2.79304 -4.86356 2.79298 8.09482 GPRESSAVG: 3231800 18.7332 -22.3858 -6.20825 -22.5411 -22.7527 2.74097 -3.77564 3.59784 6.31584 TIMING: 3231800 CPU: 10272.7, 0.00312863/step Wall: 10272.7, 0.00312863/step, 1.53668 hours remaining, 233.757812 MB of memory in use. ENERGY: 3231800 4003.8854 20563.3222 14493.0388 240.8253 -202741.4295 2095.1946 0.0000 0.0000 52206.2604 -109138.9029 300.0301 -161345.1633 -108778.8232 300.1521 68.1433 92.6466 761257.9983 0.8684 0.7654 PRESSURE: 3232000 -6.78727 29.2066 173.776 29.2062 189.99 -124.441 173.776 -124.44 427.254 GPRESSURE: 3232000 77.241 60.7023 26.7358 32.4182 189.642 -136.185 229.765 -174.794 427.713 PRESSAVG: 3232000 58.278 0.654636 64.7121 0.654691 -76.1681 -11.919 64.7121 -11.919 5.15799 GPRESSAVG: 3232000 58.2651 1.0409 64.8322 -0.427903 -77.1728 -11.2836 64.8098 -12.0064 6.12918 TIMING: 3232000 CPU: 10273.3, 0.0031223/step Wall: 10273.3, 0.0031223/step, 1.5334 hours remaining, 233.757812 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: 3232000 3932.3113 20483.8097 14481.9208 244.3893 -203236.6906 2626.7310 0.0000 0.0000 52070.4738 -109397.0547 299.2497 -161467.5285 -109023.0383 299.5321 203.4855 231.5319 760768.7504 -4.2440 -4.2595 PRESSURE: 3232200 187.635 -101.757 184.7 -101.757 94.7096 224.036 184.701 224.036 -27.9567 GPRESSURE: 3232200 122.695 -169.372 93.0543 -97.8487 127.233 315.917 279.564 233.174 87.8195 PRESSAVG: 3232200 15.1719 -33.097 -26.5305 -33.097 -12.7908 43.6382 -26.5305 43.6381 8.63153 GPRESSAVG: 3232200 15.9081 -33.0461 -24.5841 -32.6215 -13.3371 41.2905 -24.5066 45.3213 8.24446 TIMING: 3232200 CPU: 10273.9, 0.0031217/step Wall: 10273.9, 0.0031217/step, 1.53293 hours remaining, 233.757812 MB of memory in use. ENERGY: 3232200 3975.8114 20441.2603 14423.1627 231.8035 -202954.6179 2384.2305 0.0000 0.0000 52311.4585 -109186.8910 300.6347 -161498.3495 -108822.5217 299.2080 84.7959 112.5825 761991.5922 3.6709 3.6051 LDB: ============= START OF LOAD BALANCING ============== 10286.3 LDB: ============== END OF LOAD BALANCING =============== 10286.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10286.3 LDB: ============= START OF LOAD BALANCING ============== 10286.6 LDB: Largest compute 7031 load 0.030504 is 15.6% of average load 0.195533 LDB: Average compute 0.004388 is 2.2% of average load 0.195533 LDB: TIME 10286.6 LOAD: AVG 0.195533 MAX 0.217223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.406 MB LDB: TIME 10286.6 LOAD: AVG 0.195533 MAX 0.217223 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 10286.6 LOAD: AVG 0.195533 MAX 0.217223 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 10286.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10286.7 PRESSURE: 3232400 -402.78 -50.3451 -46.0213 -50.3446 -246.246 7.00305 -46.0209 7.00328 -105.614 GPRESSURE: 3232400 -339.24 60.2479 -47.9678 -57.1297 -224.287 57.7691 13.7179 0.223691 -105.521 PRESSAVG: 3232400 -6.63041 2.26029 -31.7656 2.26024 23.7949 43.4743 -31.7656 43.4743 13.5016 GPRESSAVG: 3232400 -5.36434 1.6403 -31.8186 2.61429 23.6861 44.7814 -33.2423 43.9303 12.0153 TIMING: 3232400 CPU: 10274.5, 0.0031946/step Wall: 10274.5, 0.0031946/step, 1.56855 hours remaining, 233.562500 MB of memory in use. ENERGY: 3232400 4030.2123 20479.9699 14470.0371 241.7131 -203095.3278 2397.6988 0.0000 0.0000 52360.8725 -109114.8241 300.9187 -161475.6965 -108744.0739 299.9430 -251.5465 -223.0162 760928.7495 10.2220 10.1124 PRESSURE: 3232600 -288.147 98.6784 -137.042 98.6784 -179.232 7.07739 -137.042 7.07702 -416.344 GPRESSURE: 3232600 -291.686 78.2349 -116.323 32.2937 -150.905 45.5152 -183.233 -7.64752 -359.152 PRESSAVG: 3232600 21.4655 -30.5838 -47.9562 -30.5838 -8.9854 30.0057 -47.9562 30.0057 0.3099 GPRESSAVG: 3232600 20.4269 -29.3907 -48.7397 -31.8976 -8.21158 30.9326 -48.9705 30.0587 1.06128 TIMING: 3232600 CPU: 10275.2, 0.00311315/step Wall: 10275.2, 0.00311315/step, 1.52838 hours remaining, 233.562500 MB of memory in use. ENERGY: 3232600 4053.6808 20611.0112 14498.3409 240.4286 -202908.6893 2227.2384 0.0000 0.0000 52173.1976 -109104.7918 299.8401 -161277.9894 -108741.2726 299.7032 -294.5743 -267.2478 759474.1148 4.2633 4.4255 PRESSURE: 3232800 -109.331 107.026 38.2866 107.025 -255.181 152.573 38.2863 152.573 -292.524 GPRESSURE: 3232800 -141.34 156.5 -81.8753 153.936 -154.548 142.396 154.068 160.557 -269.875 PRESSAVG: 3232800 26.0078 49.6354 -25.026 49.6354 -60.6097 20.0211 -25.0261 20.0212 -16.4982 GPRESSAVG: 3232800 25.3693 49.0828 -25.9035 49.7256 -60.6814 19.6929 -24.1075 16.3158 -16.2277 TIMING: 3232800 CPU: 10275.8, 0.00313339/step Wall: 10275.8, 0.00313339/step, 1.53815 hours remaining, 233.562500 MB of memory in use. ENERGY: 3232800 4058.1174 20560.0145 14438.2101 229.6881 -202904.7526 2258.1568 0.0000 0.0000 52172.7785 -109187.7872 299.8377 -161360.5657 -108825.5094 299.6475 -219.0119 -188.5880 761844.4651 -17.0334 -17.1799 PRESSURE: 3233000 -43.6292 258.03 -108.337 258.03 194.947 60.9232 -108.337 60.9237 -288.033 GPRESSURE: 3233000 131.127 201.532 -42.7882 228.127 76.0382 74.4019 178.337 46.7345 -245.986 PRESSAVG: 3233000 25.806 32.7709 -30.6155 32.7708 -16.2963 20.1795 -30.6154 20.1794 32.7325 GPRESSAVG: 3233000 26.8439 33.5333 -28.6231 33.9692 -17.1755 19.5297 -30.1292 23.0511 32.702 TIMING: 3233000 CPU: 10276.4, 0.00314335/step Wall: 10276.4, 0.00314335/step, 1.54286 hours remaining, 233.562500 MB of memory in use. ENERGY: 3233000 4013.4201 20358.6937 14436.5911 251.7396 -203058.3947 2532.9032 0.0000 0.0000 52406.5911 -109058.4558 301.1814 -161465.0469 -108688.9102 300.5335 -45.5718 -12.9403 761459.5635 14.0807 14.1235 PRESSURE: 3233200 72.9239 -182.683 95.0791 -182.682 -36.5371 264.895 95.0785 264.894 176.59 GPRESSURE: 3233200 103.12 -85.1213 90.6831 -62.2962 -30.5723 312.702 203.717 265.623 222.975 PRESSAVG: 3233200 -0.799521 10.3798 -54.0265 10.3798 36.649 49.7158 -54.0266 49.7156 -17.7274 GPRESSAVG: 3233200 -0.441849 9.70891 -55.6968 9.72363 35.9972 51.0848 -50.6092 49.6398 -17.1104 TIMING: 3233200 CPU: 10277, 0.00312454/step Wall: 10277, 0.00312454/step, 1.53345 hours remaining, 233.562500 MB of memory in use. ENERGY: 3233200 3914.9103 20619.9550 14511.5704 238.3286 -203349.6245 2748.7336 0.0000 0.0000 52058.3867 -109257.7399 299.1803 -161316.1266 -108895.9872 300.0769 70.9922 98.5075 760981.6760 6.0407 6.1483 PRESSURE: 3233400 -123.984 77.7268 72.2388 77.7267 -72.8505 196.607 72.2385 196.607 -46.8006 GPRESSURE: 3233400 -127.973 41.1884 108.104 150.788 -61.6075 122.61 82.9331 192.062 32.4049 PRESSAVG: 3233400 61.3001 13.655 -12.1192 13.655 -21.3224 69.1176 -12.1192 69.1177 -2.08669 GPRESSAVG: 3233400 60.4814 15.2962 -10.9194 15.7473 -18.6376 68.3545 -16.0865 69.2729 -3.89512 TIMING: 3233400 CPU: 10277.7, 0.00311215/step Wall: 10277.7, 0.00311214/step, 1.5272 hours remaining, 233.562500 MB of memory in use. ENERGY: 3233400 3976.3513 20500.3096 14541.4877 261.5918 -203096.0153 2364.2805 0.0000 0.0000 52187.9993 -109263.9950 299.9251 -161451.9943 -108898.1559 300.0619 -81.2116 -52.3920 761261.9305 12.6303 12.6496 PRESSURE: 3233600 -39.653 -148.85 -146.918 -148.85 157.268 106.474 -146.919 106.473 -50.7352 GPRESSURE: 3233600 -26.6906 -205.761 -127.611 -153.525 197.496 127.582 -56.8464 133.274 -19.7723 PRESSAVG: 3233600 34.443 -22.7064 -67.4265 -22.7064 -10.2263 35.152 -67.4266 35.152 18.2703 GPRESSAVG: 3233600 35.0889 -24.2647 -67.4858 -24.0363 -12.4536 35.4027 -66.8412 36.1314 19.6754 TIMING: 3233600 CPU: 10278.3, 0.00311024/step Wall: 10278.3, 0.00311024/step, 1.52609 hours remaining, 233.562500 MB of memory in use. ENERGY: 3233600 3944.3007 20498.8817 14526.6182 250.1235 -202932.4612 2231.0237 0.0000 0.0000 51991.1004 -109490.4132 298.7936 -161481.5135 -109122.8510 299.2859 22.2932 50.3443 762932.9341 14.1623 14.1035 PRESSURE: 3233800 278.436 -58.6148 -79.4777 -58.6165 -102.719 -15.1867 -79.4774 -15.1865 -81.5372 GPRESSURE: 3233800 300.15 -81.5836 -117.742 -39.0783 -31.7758 -37.9466 14.671 -24.3866 -68.9681 PRESSAVG: 3233800 0.628628 -58.3519 -14.8763 -58.3519 -28.4476 -13.226 -14.8762 -13.2259 5.82308 GPRESSAVG: 3233800 -0.432927 -58.7533 -15.3557 -60.2829 -27.4657 -12.6253 -14.8998 -13.0358 5.28807 TIMING: 3233800 CPU: 10278.9, 0.00310322/step Wall: 10278.9, 0.00310322/step, 1.52247 hours remaining, 233.562500 MB of memory in use. ENERGY: 3233800 4095.8839 20552.2494 14432.2713 257.8256 -203328.0226 2681.4062 0.0000 0.0000 51790.4604 -109517.9257 297.6405 -161308.3862 -109168.4723 299.2391 31.3933 66.4687 760760.0677 -7.3320 -7.5369 PRESSURE: 3234000 -73.1798 38.7174 143.98 38.7184 96.5301 256.792 143.98 256.792 429.182 GPRESSURE: 3234000 -25.9185 13.2906 73.5628 -14.187 186.655 228.497 193.41 199.788 386.129 PRESSAVG: 3234000 -24.201 -44.073 -34.4753 -44.0731 24.5776 10.2002 -34.4754 10.2001 -8.6238 GPRESSAVG: 3234000 -22.614 -43.2154 -33.459 -42.3442 23.6335 11.5942 -35.1321 6.30822 -8.90341 TIMING: 3234000 CPU: 10279.5, 0.00311597/step Wall: 10279.5, 0.00311597/step, 1.52856 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3234000 3976.3388 20468.3868 14535.3472 240.8983 -203195.8688 2581.2674 0.0000 0.0000 52110.7787 -109282.8515 299.4814 -161393.6303 -108919.0144 299.3293 150.8443 182.2886 761678.3934 -2.7490 -2.6279 PRESSURE: 3234200 -43.0237 -27.0165 -140.174 -27.0161 -53.8233 185.826 -140.175 185.826 -174.253 GPRESSURE: 3234200 19.2277 -15.124 -185.331 119.215 -99.9753 308.792 -55.0362 173.467 -95.7998 PRESSAVG: 3234200 -14.8237 -18.8632 9.98895 -18.8632 30.5582 1.44066 9.989 1.44059 8.32228 GPRESSAVG: 3234200 -14.6197 -17.1969 8.74962 -19.8476 29.6026 0.105664 10.0441 4.42669 9.11232 TIMING: 3234200 CPU: 10280.2, 0.00311165/step Wall: 10280.2, 0.00311165/step, 1.52627 hours remaining, 233.562500 MB of memory in use. ENERGY: 3234200 4065.7676 20592.6428 14502.0817 245.9340 -202886.4866 2399.9527 0.0000 0.0000 52109.6447 -108970.4631 299.4748 -161080.1078 -108617.0498 299.5961 -90.3668 -58.8491 761620.7730 8.0189 8.0317 PRESSURE: 3234400 -210.322 13.6658 50.6925 13.6661 29.2382 -36.7076 50.6932 -36.708 -215.838 GPRESSURE: 3234400 -113.359 64.5609 51.7057 49.3401 12.15 -133.867 46.067 67.9935 -202.111 PRESSAVG: 3234400 -42.5598 -11.2055 -52.7006 -11.2055 32.1013 22.2393 -52.7007 22.2394 -15.4057 GPRESSAVG: 3234400 -43.0284 -12.5445 -51.8385 -11.4981 33.8183 21.3795 -51.4101 21.8128 -16.5359 TIMING: 3234400 CPU: 10280.8, 0.00313951/step Wall: 10280.8, 0.00313951/step, 1.53975 hours remaining, 233.562500 MB of memory in use. ENERGY: 3234400 3989.7300 20581.6625 14484.0538 218.2003 -202950.1503 2438.0759 0.0000 0.0000 51981.1121 -109257.3156 298.7362 -161238.4277 -108899.3055 299.6370 -132.3071 -101.1067 762685.4588 -8.6214 -8.5820 PRESSURE: 3234600 286.578 -94.8929 -26.9511 -94.8935 76.8762 -95.0293 -26.952 -95.0287 163.887 GPRESSURE: 3234600 256.64 -78.1338 -35.2983 -45.9839 178.332 -2.32709 -75.3309 -36.2789 178.019 PRESSAVG: 3234600 -34.8318 -46.3457 -42.8943 -46.3456 12.8347 32.4067 -42.8942 32.4068 -7.42782 GPRESSAVG: 3234600 -34.5453 -47.5856 -41.2576 -45.6226 12.8663 33.4851 -44.3708 32.6801 -7.48736 TIMING: 3234600 CPU: 10281.4, 0.00312925/step Wall: 10281.4, 0.00312925/step, 1.53455 hours remaining, 233.562500 MB of memory in use. ENERGY: 3234600 3965.3555 20466.9041 14509.5485 224.2190 -203233.6750 2609.8356 0.0000 0.0000 52235.1244 -109222.6879 300.1960 -161457.8123 -108861.0886 299.3001 175.7803 204.3306 762052.5449 -9.8083 -9.7221 PRESSURE: 3234800 145.902 2.21865 102.597 2.21855 247.275 -136.494 102.597 -136.493 -133.762 GPRESSURE: 3234800 208.108 121.493 72.9637 106.556 225.291 -127.96 96.0952 50.0758 -95.2185 PRESSAVG: 3234800 -1.23633 -66.8553 -74.8201 -66.8553 -21.8505 2.80549 -74.8201 2.80551 12.5815 GPRESSAVG: 3234800 -0.0584465 -66.1244 -76.1647 -66.0873 -22.5966 3.30594 -72.8417 2.66855 12.1189 TIMING: 3234800 CPU: 10282, 0.00312289/step Wall: 10282, 0.00312289/step, 1.53126 hours remaining, 233.562500 MB of memory in use. ENERGY: 3234800 4075.2089 20534.9370 14484.5288 238.7435 -203300.8610 2613.3720 0.0000 0.0000 52099.7927 -109254.2778 299.4182 -161354.0706 -108895.9877 298.7890 86.4718 112.7269 760907.0489 -3.5018 -3.5120 PRESSURE: 3235000 -356.511 -197.052 -135.874 -197.051 -240.896 -65.0543 -135.874 -65.0548 -94.8637 GPRESSURE: 3235000 -366.583 -183.258 -171.971 -143.555 -157.247 -1.58638 -63.0697 -123.463 -63.5102 PRESSAVG: 3235000 -2.98648 -4.28376 -14.6554 -4.28379 -20.7283 19.3082 -14.6554 19.3081 7.133 GPRESSAVG: 3235000 -4.87864 -3.69809 -15.6276 -4.91505 -20.4676 19.0635 -16.067 19.2129 8.23528 TIMING: 3235000 CPU: 10282.7, 0.0031099/step Wall: 10282.7, 0.0031099/step, 1.52471 hours remaining, 233.562500 MB of memory in use. ENERGY: 3235000 3975.9968 20583.4172 14508.4616 241.6626 -203392.4263 2574.2764 0.0000 0.0000 52299.3955 -109209.2162 300.5653 -161508.6117 -108839.1579 299.5845 -230.7567 -195.7802 763294.1711 -5.5273 -5.7036 PRESSURE: 3235200 170.97 52.6539 82.3069 52.654 -158.862 144.956 82.3069 144.956 140.833 GPRESSURE: 3235200 285.839 5.2925 43.6406 -47.0022 -133.063 154.289 115.634 59.0913 101.588 PRESSAVG: 3235200 35.8474 -24.249 -10.4096 -24.249 -7.32028 12.8649 -10.4096 12.8649 8.687 GPRESSAVG: 3235200 36.711 -25.1314 -10.2128 -25.3049 -7.3534 11.7289 -9.76722 12.3231 8.64105 TIMING: 3235200 CPU: 10283.3, 0.0031012/step Wall: 10283.3, 0.0031012/step, 1.52028 hours remaining, 233.562500 MB of memory in use. ENERGY: 3235200 3928.6026 20558.4352 14472.1790 244.1501 -202852.4591 2208.3172 0.0000 0.0000 52148.4530 -109292.3220 299.6979 -161440.7750 -108927.0773 299.8777 50.9805 84.7878 763088.8146 12.4047 12.6662 PRESSURE: 3235400 142.321 142.783 -156.36 142.782 -119.47 60.9208 -156.361 60.9201 85.9034 GPRESSURE: 3235400 88.8119 59.1004 -174.627 131.437 -34.2515 69.6862 -177.852 88.0247 139.589 PRESSAVG: 3235400 17.0539 6.08235 -18.9054 6.08237 -13.892 -63.824 -18.9054 -63.8241 16.6206 GPRESSAVG: 3235400 17.4083 7.15346 -20.1567 5.68799 -13.453 -64.471 -19.0241 -64.8371 16.129 TIMING: 3235400 CPU: 10283.9, 0.00311517/step Wall: 10283.9, 0.00311517/step, 1.52695 hours remaining, 233.562500 MB of memory in use. ENERGY: 3235400 3907.3872 20579.1012 14525.4116 227.4096 -203032.5645 2406.9803 0.0000 0.0000 52056.4808 -109329.7938 299.1693 -161386.2746 -108968.2895 299.7030 36.2515 64.7166 761842.4786 6.5941 6.6948 PRESSURE: 3235600 -134.556 -124.819 33.6791 -124.819 -4.69306 -339.218 33.6794 -339.218 178.966 GPRESSURE: 3235600 -54.4906 -54.1347 20.4434 -22.2381 20.7887 -350.185 50.0576 -271.871 156.824 PRESSAVG: 3235600 -1.5199 -40.2829 -3.40466 -40.2828 -16.1903 9.43737 -3.40464 9.43736 13.2454 GPRESSAVG: 3235600 -1.71734 -42.2421 -1.77147 -37.0313 -16.3457 11.3943 -4.2948 9.45405 13.4763 TIMING: 3235600 CPU: 10284.5, 0.00311806/step Wall: 10284.5, 0.00311806/step, 1.52819 hours remaining, 233.562500 MB of memory in use. ENERGY: 3235600 3946.6686 20474.2630 14471.1685 238.7463 -203467.8445 2718.8519 0.0000 0.0000 52134.1217 -109484.0246 299.6155 -161618.1463 -109129.7116 299.7867 13.2389 41.0407 761904.3123 -1.4882 -1.5289 PRESSURE: 3235800 39.0625 -6.86302 -101.638 -6.8631 411.967 -4.31304 -101.639 -4.31149 171.356 GPRESSURE: 3235800 56.5582 21.4465 -100.961 -90.5207 357.574 -105.788 15.9126 148.465 273.531 PRESSAVG: 3235800 30.5857 -22.1806 -2.95169 -22.1807 -37.1881 -49.8663 -2.95178 -49.8663 5.20846 GPRESSAVG: 3235800 30.238 -22.6545 -5.19345 -25.0523 -36.9996 -50.4294 -1.1034 -49.7502 5.1512 TIMING: 3235800 CPU: 10285.1, 0.00311049/step Wall: 10285.1, 0.00311049/step, 1.52431 hours remaining, 233.562500 MB of memory in use. ENERGY: 3235800 3958.2621 20472.1447 14470.5845 245.2769 -203317.7267 2515.2234 0.0000 0.0000 52121.1454 -109535.0897 299.5409 -161656.2351 -109158.2021 298.9601 207.4619 229.2210 762209.6993 -0.4646 -0.5368 PRESSURE: 3236000 -25.5826 117.842 147.828 117.843 -264.941 184.725 147.828 184.726 111.675 GPRESSURE: 3236000 37.5826 144.043 119.434 28.4577 -253.41 148.292 119.936 -75.3204 140.039 PRESSAVG: 3236000 45.0685 -59.1788 -32.2123 -59.1788 -41.242 -38.3885 -32.2123 -38.3886 -13.143 GPRESSAVG: 3236000 44.9369 -54.8274 -30.2145 -59.1981 -40.7218 -38.8757 -33.8189 -38.1744 -13.652 TIMING: 3236000 CPU: 10285.8, 0.00310574/step Wall: 10285.8, 0.00310574/step, 1.52181 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3236000 3974.4275 20451.7177 14435.8301 256.2540 -203129.8819 2290.3753 0.0000 0.0000 52140.5372 -109580.7400 299.6524 -161721.2773 -109221.8413 299.2022 -59.6164 -25.2628 760412.0282 -3.1055 -3.1456 PRESSURE: 3236200 354.268 -164.872 -182.663 -164.871 -295.284 -58.5973 -182.664 -58.5972 -131.188 GPRESSURE: 3236200 280.329 -25.6642 -232.535 -106.619 -212.713 -91.5706 -179.116 -194.787 -44.7814 PRESSAVG: 3236200 87.825 -10.8211 -71.9598 -10.8211 -40.8826 -21.8655 -71.9597 -21.8653 -31.0071 GPRESSAVG: 3236200 87.6906 -10.9548 -72.8474 -11.3845 -40.8097 -22.7147 -71.4672 -22.238 -31.4412 TIMING: 3236200 CPU: 10286.4, 0.00311618/step Wall: 10286.4, 0.00311618/step, 1.52675 hours remaining, 233.562500 MB of memory in use. ENERGY: 3236200 3931.4508 20440.9436 14467.8345 239.2711 -203296.1547 2506.5660 0.0000 0.0000 52149.8867 -109560.2020 299.7061 -161710.0887 -109198.1778 298.9276 -24.0680 7.6115 760132.2041 5.3117 5.1466 LDB: ============= START OF LOAD BALANCING ============== 10298.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10298.8 LDB: =============== DONE WITH MIGRATION ================ 10298.8 LDB: ============= START OF LOAD BALANCING ============== 10299.1 LDB: Largest compute 7036 load 0.031330 is 16.0% of average load 0.195577 LDB: Average compute 0.004378 is 2.2% of average load 0.195577 LDB: TIME 10299.1 LOAD: AVG 0.195577 MAX 0.216509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.109 MB LDB: TIME 10299.1 LOAD: AVG 0.195577 MAX 0.216509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: TIME 10299.1 LOAD: AVG 0.195577 MAX 0.216509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.113 MB LDB: ============== END OF LOAD BALANCING =============== 10299.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10299.1 PRESSURE: 3236400 -195.473 122.845 -8.04888 122.845 -365.572 -282.038 -8.04922 -282.037 -369.475 GPRESSURE: 3236400 -214.765 31.3076 37.2089 186.78 -310.485 -283.872 -114.416 -292.963 -302.073 PRESSAVG: 3236400 -35.9847 -29.3884 -23.6095 -29.3884 10.5468 -28.3935 -23.6095 -28.3934 26.4875 GPRESSAVG: 3236400 -34.6857 -32.4612 -24.237 -28.2611 8.84594 -29.2493 -25.2467 -27.2507 26.6339 TIMING: 3236400 CPU: 10287, 0.00319245/step Wall: 10287, 0.00319245/step, 1.56394 hours remaining, 234.906250 MB of memory in use. ENERGY: 3236400 4054.1644 20287.4938 14497.4154 243.5760 -202978.7463 2243.6414 0.0000 0.0000 52041.6017 -109610.8537 299.0838 -161652.4553 -109246.4556 298.9139 -310.1732 -275.7745 760384.3788 0.3499 0.2647 PRESSURE: 3236600 122.341 -108.61 -85.4645 -108.608 159.028 88.2996 -85.4645 88.2991 448.567 GPRESSURE: 3236600 186.034 -46.7277 -75.6122 -74.9291 183.264 115.425 11.6743 42.3462 432.461 PRESSAVG: 3236600 -17.4061 2.40237 -22.7915 2.40239 -4.59706 -44.199 -22.7915 -44.199 -6.72587 GPRESSAVG: 3236600 -18.1426 3.35552 -20.7606 0.729528 -2.92825 -43.0837 -20.9358 -45.0656 -7.64827 TIMING: 3236600 CPU: 10287.7, 0.00314601/step Wall: 10287.7, 0.00314601/step, 1.54102 hours remaining, 235.046875 MB of memory in use. ENERGY: 3236600 3913.5495 20352.1516 14514.9246 243.1109 -203658.0970 2700.9081 0.0000 0.0000 52247.3830 -109686.0692 300.2664 -161933.4521 -109326.9331 298.5563 243.3120 267.2529 759970.1260 -9.5763 -9.5730 PRESSURE: 3236800 338.974 -43.4155 75.9851 -43.4159 314.472 76.6248 75.9856 76.6258 130.574 GPRESSURE: 3236800 324.217 -111.889 57.3911 -55.1699 394.092 30.0113 90.713 -65.3401 167.151 PRESSAVG: 3236800 9.67056 -30.4902 -32.5966 -30.4902 -12.7711 2.98412 -32.5966 2.98408 25.0618 GPRESSAVG: 3236800 9.23096 -29.8538 -31.2439 -29.9709 -13.7323 3.66642 -32.8423 2.44237 26.6446 TIMING: 3236800 CPU: 10288.3, 0.00312848/step Wall: 10288.3, 0.00312848/step, 1.53226 hours remaining, 235.046875 MB of memory in use. ENERGY: 3236800 3908.2044 20521.4001 14428.6838 253.3781 -203593.6529 2588.6662 0.0000 0.0000 52129.0112 -109764.3092 299.5861 -161893.3204 -109415.8877 298.7300 261.3401 295.1535 759823.0460 7.3204 7.3811 PRESSURE: 3237000 -117.225 -75.4334 98.1162 -75.4338 47.1846 -58.2689 98.1161 -58.2691 87.9226 GPRESSURE: 3237000 -113.646 -74.8101 35.5471 -68.2717 39.595 -84.1337 -1.59251 -89.0323 178.314 PRESSAVG: 3237000 3.70169 -38.4382 -30.2127 -38.4383 -21.3579 -16.5777 -30.2127 -16.5778 -5.84441 GPRESSAVG: 3237000 4.44124 -39.4602 -33.432 -37.8112 -21.5762 -16.1802 -30.0548 -14.8534 -5.81701 TIMING: 3237000 CPU: 10288.9, 0.00315323/step Wall: 10288.9, 0.00315323/step, 1.54421 hours remaining, 235.046875 MB of memory in use. ENERGY: 3237000 4014.4755 20316.7526 14478.0944 229.8167 -203268.0109 2530.6579 0.0000 0.0000 51649.1774 -110049.0364 296.8285 -161698.2138 -109671.0935 297.8917 5.9606 34.7543 761700.4946 -7.8335 -7.6507 PRESSURE: 3237200 120.527 161.584 -12.153 161.584 -110.82 261.058 -12.1537 261.058 18.7807 GPRESSURE: 3237200 207.361 94.3206 36.3071 90.7079 -90.7304 259.763 -32.6346 407.697 -7.07583 PRESSAVG: 3237200 -1.47601 -6.31363 13.7828 -6.31368 -20.2263 -41.2089 13.7828 -41.2089 10.2147 GPRESSAVG: 3237200 -1.35865 -6.40506 15.8376 -4.86826 -20.3968 -41.5085 12.0232 -41.2073 9.77609 TIMING: 3237200 CPU: 10289.5, 0.0031371/step Wall: 10289.5, 0.0031371/step, 1.53613 hours remaining, 235.250000 MB of memory in use. ENERGY: 3237200 4030.5854 20642.2741 14435.1827 245.3507 -203436.6852 2389.1311 0.0000 0.0000 51737.4138 -109956.7474 297.3356 -161694.1611 -109601.9318 298.0462 9.4958 36.5184 761894.5318 -3.8292 -3.9931 PRESSURE: 3237400 -203.685 6.24276 133.812 6.24315 23.6702 125.06 133.813 125.06 -257.518 GPRESSURE: 3237400 -148.11 -82.2874 29.5708 41.8344 -39.1413 109.282 302.42 58.3941 -141.736 PRESSAVG: 3237400 -9.01245 15.4326 -29.2349 15.4326 54.8192 -4.98542 -29.2348 -4.98535 -8.86321 GPRESSAVG: 3237400 -9.8408 18.2845 -28.892 13.0417 54.1533 -5.39679 -27.9561 -5.49656 -7.76709 TIMING: 3237400 CPU: 10290.2, 0.00318747/step Wall: 10290.2, 0.00318747/step, 1.56062 hours remaining, 235.250000 MB of memory in use. ENERGY: 3237400 3951.3153 20482.9993 14447.7557 243.8658 -203255.6334 2526.1139 0.0000 0.0000 51832.2863 -109771.2970 297.8809 -161603.5833 -109407.0283 298.1327 -145.8442 -109.6626 762047.9163 12.3145 12.1818 PRESSURE: 3237600 -104.116 -201.695 45.5534 -201.696 -48.392 -197.189 45.5547 -197.188 144.68 GPRESSURE: 3237600 -49.7118 -227.725 21.1177 -316.349 -51.1415 -221.462 138.478 -255.585 174.605 PRESSAVG: 3237600 33.6713 -43.9321 -5.40822 -43.9321 -67.5244 -80.619 -5.40821 -80.619 10.5957 GPRESSAVG: 3237600 33.5252 -45.1371 -6.48901 -44.1086 -66.9003 -80.0991 -4.82158 -81.6102 10.3194 TIMING: 3237600 CPU: 10290.8, 0.00317327/step Wall: 10290.8, 0.00317328/step, 1.55349 hours remaining, 235.250000 MB of memory in use. ENERGY: 3237600 3977.3316 20495.6861 14500.4179 254.8023 -203705.1845 2619.9409 0.0000 0.0000 52001.0061 -109855.9995 298.8505 -161857.0056 -109499.6796 298.2978 -2.6091 24.5839 760470.1219 -7.7524 -7.6852 PRESSURE: 3237800 305.514 -43.7703 -94.5866 -43.7708 -132.085 189.889 -94.5868 189.888 -144.365 GPRESSURE: 3237800 362.08 28.4323 -75.3975 -117.537 -131.844 191.266 -60.8121 233.816 -101.051 PRESSAVG: 3237800 31.1419 -29.1637 -1.64752 -29.1637 -35.41 7.16113 -1.64754 7.16132 17.0164 GPRESSAVG: 3237800 30.6167 -30.5245 -2.09879 -27.4822 -34.2039 7.08846 -1.9081 8.12497 16.6321 TIMING: 3237800 CPU: 10291.4, 0.00315925/step Wall: 10291.4, 0.00315925/step, 1.54645 hours remaining, 235.250000 MB of memory in use. ENERGY: 3237800 3992.1003 20328.9237 14458.5541 243.1115 -203670.5505 2582.9037 0.0000 0.0000 52109.3577 -109955.5994 299.4732 -162064.9571 -109584.2760 298.3364 9.6883 43.0616 761265.8745 4.2494 4.3483 PRESSURE: 3238000 350.525 -123.896 197.794 -123.896 -104.018 119.382 197.793 119.382 69.0129 GPRESSURE: 3238000 398.991 -13.4884 207.431 -157.851 -107.392 94.891 64.6306 26.7358 116.6 PRESSAVG: 3238000 10.6645 -12.0578 -31.1171 -12.0578 -45.5407 21.8188 -31.1171 21.8188 -8.34424 GPRESSAVG: 3238000 10.7623 -12.4384 -30.2028 -12.6084 -46.6381 21.9906 -33.5081 20.4078 -7.52698 TIMING: 3238000 CPU: 10292.1, 0.00313824/step Wall: 10292.1, 0.00313824/step, 1.53599 hours remaining, 235.250000 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: 3238000 3884.7137 20480.5611 14428.5939 251.5603 -203288.1868 2343.9978 0.0000 0.0000 51869.7742 -110028.9857 298.0963 -161898.7599 -109657.2843 298.2765 105.1731 136.0662 760966.5988 -14.4068 -14.4676 PRESSURE: 3238200 -240.935 -274.494 91.3835 -274.494 284.079 45.043 91.383 45.0431 58.1319 GPRESSURE: 3238200 -161.438 -175.612 79.8825 -262.781 252.997 -27.3021 107.53 -9.04848 93.8508 PRESSAVG: 3238200 46.2611 -33.6077 3.33803 -33.6077 -41.6324 4.70756 3.33804 4.70765 6.21839 GPRESSAVG: 3238200 46.3596 -32.6217 2.07172 -33.053 -41.1036 6.81226 5.11016 4.09875 5.37394 TIMING: 3238200 CPU: 10292.7, 0.0031452/step Wall: 10292.7, 0.0031452/step, 1.53923 hours remaining, 235.250000 MB of memory in use. ENERGY: 3238200 3876.0379 20370.8854 14462.0084 251.3003 -203587.6945 2505.5157 0.0000 0.0000 52269.9272 -109852.0195 300.3960 -162121.9467 -109484.5292 298.7053 33.7585 61.8032 760643.3654 3.6157 3.5433 PRESSURE: 3238400 28.7723 87.2814 -80.224 87.2802 -242.544 -159.967 -80.2236 -159.967 -134.359 GPRESSURE: 3238400 153.931 85.7358 21.2416 -11.1825 -221.466 -150.878 -156.35 -59.4351 -176.864 PRESSAVG: 3238400 12.6276 -15.8329 -9.40151 -15.8329 3.26767 -10.0082 -9.40154 -10.0082 13.0769 GPRESSAVG: 3238400 13.3925 -15.5494 -6.85352 -17.49 2.21803 -12.761 -9.52781 -9.01393 13.4372 TIMING: 3238400 CPU: 10293.3, 0.00313569/step Wall: 10293.3, 0.00313569/step, 1.5344 hours remaining, 235.250000 MB of memory in use. ENERGY: 3238400 3995.0678 20345.9312 14471.5307 253.8415 -203201.8607 2440.4593 0.0000 0.0000 51842.8600 -109852.1702 297.9416 -161695.0302 -109492.1534 298.8112 -116.0438 -81.4663 761359.1345 9.6574 9.6826 PRESSURE: 3238600 -43.0467 118.285 -230.305 118.286 -26.8618 -55.3903 -230.305 -55.3907 81.1071 GPRESSURE: 3238600 -12.3585 99.7557 -244.588 149.827 -6.65958 -12.6083 -48.7796 -38.0407 128.102 PRESSAVG: 3238600 33.2085 9.24788 -36.7571 9.24779 -49.1053 41.7438 -36.7572 41.7439 -5.64746 GPRESSAVG: 3238600 33.9359 10.3161 -39.3087 10.6539 -49.6057 43.0016 -36.5589 42.002 -6.16854 TIMING: 3238600 CPU: 10294, 0.00313883/step Wall: 10294, 0.00313883/step, 1.53576 hours remaining, 235.250000 MB of memory in use. ENERGY: 3238600 3991.2279 20445.1150 14506.1866 238.1054 -203358.5309 2434.0474 0.0000 0.0000 52007.9186 -109735.9300 298.8902 -161743.8486 -109372.8433 298.4824 3.7329 36.3612 758724.4335 -7.1814 -7.2794 PRESSURE: 3238800 461.728 -158.419 126.328 -158.418 70.5784 -57.2676 126.328 -57.2681 174.559 GPRESSURE: 3238800 400.984 -197.254 132.37 -155.634 259.478 -35.8774 30.4834 7.85592 142.801 PRESSAVG: 3238800 -29.5058 -30.8196 21.4258 -30.8196 16.8435 -19.119 21.4258 -19.119 -4.5648 GPRESSAVG: 3238800 -29.8132 -29.9632 21.6663 -33.4227 19.2088 -18.8433 21.1221 -19.3901 -6.30158 TIMING: 3238800 CPU: 10294.6, 0.00312994/step Wall: 10294.6, 0.00312994/step, 1.53123 hours remaining, 235.250000 MB of memory in use. ENERGY: 3238800 3999.7566 20491.1477 14525.3534 240.9316 -203580.9485 2512.4946 0.0000 0.0000 52170.5328 -109640.7319 299.8248 -161811.2646 -109287.0512 299.4836 235.6217 267.7543 757161.6741 -5.7424 -5.6353 PRESSURE: 3239000 -113.084 150.58 -52.5808 150.58 189.907 82.9713 -52.5802 82.9714 -495.363 GPRESSURE: 3239000 -38.0136 157.228 -75.5721 103.344 185.884 67.7715 -82.0767 20.0795 -486.174 PRESSAVG: 3239000 4.80642 -5.08279 -61.359 -5.08272 -1.69072 18.7137 -61.3589 18.7137 -15.8577 GPRESSAVG: 3239000 5.13106 -6.54289 -61.5465 -3.14368 -2.98369 16.9769 -61.5298 18.7018 -14.3301 TIMING: 3239000 CPU: 10295.2, 0.00314368/step Wall: 10295.2, 0.00314368/step, 1.53779 hours remaining, 235.250000 MB of memory in use. ENERGY: 3239000 4026.7232 20435.7810 14462.1511 232.1964 -203273.7204 2417.5590 0.0000 0.0000 51971.0001 -109728.3095 298.6781 -161699.3097 -109368.2657 299.0051 -139.5134 -112.7676 760107.6926 -4.2473 -4.0609 PRESSURE: 3239200 -365.812 7.28165 34.5567 7.28218 142.888 95.1182 34.5557 95.1171 214.741 GPRESSURE: 3239200 -368.998 92.141 110.921 94.6546 133.691 168.075 31.8939 72.3194 313.208 PRESSAVG: 3239200 -10.4734 -69.4351 15.0662 -69.435 42.2137 -12.4029 15.0663 -12.4028 -35.9903 GPRESSAVG: 3239200 -11.032 -70.8896 15.6347 -69.6641 41.5001 -11.4063 14.7129 -11.851 -34.7629 TIMING: 3239200 CPU: 10295.8, 0.0031171/step Wall: 10295.8, 0.0031171/step, 1.52461 hours remaining, 235.250000 MB of memory in use. ENERGY: 3239200 4008.6877 20658.3766 14457.4092 221.7538 -203715.9112 2496.7453 0.0000 0.0000 52109.1405 -109763.7980 299.4719 -161872.9385 -109406.5409 299.0013 -2.7277 25.9670 760772.9099 -1.4167 -1.4316 PRESSURE: 3239400 142.058 -168.769 104.353 -168.769 -164.323 -69.6838 104.353 -69.684 27.0912 GPRESSURE: 3239400 77.2836 -204.328 69.3319 -189.818 -105.266 -39.3266 180.137 -190.149 115.539 PRESSAVG: 3239400 5.17305 -29.3154 -14.2147 -29.3155 12.9406 -43.0551 -14.2147 -43.0551 -12.2755 GPRESSAVG: 3239400 6.39402 -27.7828 -13.8294 -28.3634 13.2864 -42.9337 -12.9669 -42.3343 -13.6108 TIMING: 3239400 CPU: 10296.5, 0.00311849/step Wall: 10296.5, 0.00311849/step, 1.52511 hours remaining, 235.250000 MB of memory in use. ENERGY: 3239400 4015.7541 20585.6179 14482.2428 237.3366 -203523.0402 2580.4379 0.0000 0.0000 52054.0834 -109567.5674 299.1555 -161621.6509 -109210.7112 299.4710 1.6088 29.1854 759017.4628 1.9461 2.0232 PRESSURE: 3239600 -403.244 -52.251 196.36 -52.2516 -171.27 131.401 196.36 131.4 368.444 GPRESSURE: 3239600 -307.872 -25.1686 184.83 15.3326 -153.183 142.664 168.125 82.6373 351.14 PRESSAVG: 3239600 46.7392 -33.168 68.9162 -33.1681 -25.7933 -9.65601 68.9162 -9.65594 -0.0680414 GPRESSAVG: 3239600 44.2832 -34.0129 68.2694 -32.0633 -23.9724 -10.6645 68.2349 -12.6728 0.0258029 TIMING: 3239600 CPU: 10297.1, 0.00313239/step Wall: 10297.1, 0.00313239/step, 1.53174 hours remaining, 235.250000 MB of memory in use. ENERGY: 3239600 4021.3986 20622.1988 14483.1159 248.3745 -203465.7735 2459.8545 0.0000 0.0000 52098.6717 -109532.1596 299.4118 -161630.8313 -109168.6109 299.9165 -68.6900 -36.6383 759857.0202 6.9593 6.7789 PRESSURE: 3239800 -310.693 215.109 44.9274 215.109 260.368 133.261 44.9281 133.259 -35.489 GPRESSURE: 3239800 -185.603 235.435 -49.2785 117.273 120.391 89.5929 -73.6314 157.412 64.1918 PRESSAVG: 3239800 20.4022 -61.4661 22.0099 -61.4661 11.2722 -31.4213 22.0099 -31.4213 -6.0904 GPRESSAVG: 3239800 22.42 -61.4123 21.15 -63.0641 8.26664 -29.0588 20.968 -32.0016 -5.66952 TIMING: 3239800 CPU: 10297.7, 0.00314157/step Wall: 10297.7, 0.00314157/step, 1.53605 hours remaining, 235.250000 MB of memory in use. ENERGY: 3239800 3999.1064 20447.5720 14434.5553 248.2997 -203558.7469 2733.7499 0.0000 0.0000 52245.5042 -109449.9594 300.2556 -161695.4637 -109083.2496 299.6782 -28.6047 -0.3400 760437.9338 8.5280 8.3391 PRESSURE: 3240000 92.8713 330.156 173.554 330.156 37.8187 114.193 173.554 114.193 -86.3605 GPRESSURE: 3240000 86.1063 252.857 239.962 250.669 66.8847 196.063 368.098 114.489 -33.6134 PRESSAVG: 3240000 -23.4315 -37.2208 62.4642 -37.2209 40.3407 11.2835 62.4641 11.2835 -16.5814 GPRESSAVG: 3240000 -24.0864 -40.0319 64.4856 -36.677 41.7735 9.26505 64.5401 13.8525 -17.9253 TIMING: 3240000 CPU: 10298.3, 0.00314448/step Wall: 10298.3, 0.00314448/step, 1.5373 hours remaining, 235.250000 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: 3240000 3944.8939 20628.1870 14406.3522 243.8141 -203277.3859 2465.8904 0.0000 0.0000 52281.6107 -109306.6376 300.4631 -161588.2483 -108930.9916 299.7262 14.7765 39.7925 759525.8134 0.1093 -0.0794 PRESSURE: 3240200 -140.819 -25.8004 151.923 -25.8003 345.539 423.293 151.922 423.294 -260.919 GPRESSURE: 3240200 8.70249 -69.7284 192.568 9.83781 375.921 419.29 102.801 372.482 -356.508 PRESSAVG: 3240200 -28.8586 -2.8423 -9.94943 -2.84238 54.0699 -13.3252 -9.94944 -13.3252 10.8321 GPRESSAVG: 3240200 -28.8657 0.060776 -11.6336 -2.03661 53.7577 -13.0391 -10.0508 -13.2425 11.0101 TIMING: 3240200 CPU: 10299, 0.0031385/step Wall: 10299, 0.0031385/step, 1.5342 hours remaining, 235.250000 MB of memory in use. ENERGY: 3240200 3934.3645 20508.6719 14486.9332 255.8031 -203523.1256 2463.1199 0.0000 0.0000 52282.7079 -109591.5251 300.4694 -161874.2329 -109220.2498 299.5015 -18.7329 9.3716 759975.6127 12.0145 11.9674 LDB: ============= START OF LOAD BALANCING ============== 10311.4 LDB: ============== END OF LOAD BALANCING =============== 10311.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10311.4 LDB: ============= START OF LOAD BALANCING ============== 10311.7 LDB: Largest compute 7036 load 0.031899 is 16.3% of average load 0.195481 LDB: Average compute 0.004390 is 2.2% of average load 0.195481 LDB: TIME 10311.7 LOAD: AVG 0.195481 MAX 0.216835 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.656 MB LDB: TIME 10311.7 LOAD: AVG 0.195481 MAX 0.216835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: TIME 10311.7 LOAD: AVG 0.195481 MAX 0.216835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: ============== END OF LOAD BALANCING =============== 10311.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10311.7 PRESSURE: 3240400 309.611 -98.7099 -5.92131 -98.7093 -275.949 24.0702 -5.92123 24.0695 -80.5159 GPRESSURE: 3240400 241.897 -90.8554 56.0964 -107.538 -186.808 29.9753 27.3597 83.1113 -20.3317 PRESSAVG: 3240400 22.3021 -69.9223 -13.4916 -69.9223 6.60963 24.4655 -13.4915 24.4655 15.7053 GPRESSAVG: 3240400 22.2117 -69.2399 -11.7729 -69.4888 5.93726 25.3846 -14.1895 22.4826 16.5594 TIMING: 3240400 CPU: 10299.6, 0.00322556/step Wall: 10299.6, 0.00322556/step, 1.57658 hours remaining, 234.132812 MB of memory in use. ENERGY: 3240400 3992.2490 20385.3968 14464.2852 262.2526 -203401.8220 2572.4426 0.0000 0.0000 51972.4847 -109752.7111 298.6866 -161725.1959 -109391.3345 299.3845 -15.6180 11.5858 762287.0080 14.8723 14.9028 PRESSURE: 3240600 -170.271 186.367 -39.1389 186.367 68.2236 -217.297 -39.1384 -217.297 -433.428 GPRESSURE: 3240600 -79.599 94.8572 -53.1987 75.6158 51.7203 -201.817 -115.268 -237.109 -415.896 PRESSAVG: 3240600 39.6224 -8.8185 14.2142 -8.81844 -1.13582 -2.21857 14.2143 -2.21856 15.1885 GPRESSAVG: 3240600 39.8936 -8.80904 12.1373 -11.5046 -1.03862 -3.53843 14.363 -2.02701 14.6507 TIMING: 3240600 CPU: 10300.2, 0.00313327/step Wall: 10300.2, 0.00313327/step, 1.5313 hours remaining, 234.203125 MB of memory in use. ENERGY: 3240600 4038.1127 20332.2876 14419.2595 245.4265 -203308.2644 2378.4590 0.0000 0.0000 52087.5706 -109807.1485 299.3480 -161894.7191 -109448.5972 298.9218 -178.4918 -147.9250 762221.4139 17.8917 17.8352 PRESSURE: 3240800 121.987 46.5372 -48.1261 46.5372 -752.541 -14.9679 -48.1266 -14.9676 -481.577 GPRESSURE: 3240800 68.2198 70.4766 -26.4366 108.837 -652.411 12.4161 -102.447 -107.127 -437.255 PRESSAVG: 3240800 34.9039 10.8222 15.3838 10.8222 -36.8028 30.4896 15.3837 30.4896 -16.6093 GPRESSAVG: 3240800 34.3944 10.988 18.1399 12.2354 -37.4664 31.0926 13.6285 28.3757 -16.0828 TIMING: 3240800 CPU: 10300.9, 0.00311624/step Wall: 10300.9, 0.00311624/step, 1.5228 hours remaining, 234.460938 MB of memory in use. ENERGY: 3240800 3974.1169 20389.4807 14494.3348 258.6902 -203029.9666 2122.9830 0.0000 0.0000 51978.9564 -109811.4045 298.7238 -161790.3609 -109437.4364 299.0137 -370.7100 -340.4821 761386.2976 -6.1694 -6.3849 PRESSURE: 3241000 -219.664 -74.7632 -45.0599 -74.7625 -132.306 214.34 -45.0601 214.338 110.282 GPRESSURE: 3241000 -154.691 -117.899 -6.17727 -123.778 -6.12872 265.697 -96.6611 72.1311 26.3343 PRESSAVG: 3241000 15.2779 -4.61906 17.8488 -4.619 -26.5306 -21.5763 17.8488 -21.5763 12.9531 GPRESSAVG: 3241000 16.2634 -6.1341 16.5144 -5.03704 -26.0968 -23.1153 19.7859 -18.1625 11.8616 TIMING: 3241000 CPU: 10301.5, 0.00312273/step Wall: 10301.5, 0.00312273/step, 1.5258 hours remaining, 234.460938 MB of memory in use. ENERGY: 3241000 3977.9711 20527.1248 14507.2576 249.1673 -202821.0333 2003.4982 0.0000 0.0000 51871.4310 -109684.5834 298.1058 -161556.0143 -109327.5780 299.0996 -80.5625 -44.8286 760768.2335 0.5668 0.6761 PRESSURE: 3241200 123.055 109.113 134.977 109.112 -80.4781 -24.2349 134.977 -24.2347 232.712 GPRESSURE: 3241200 169.279 152.178 108.685 57.0598 -99.2688 3.12854 37.1587 -40.018 311.345 PRESSAVG: 3241200 65.7039 -41.8623 -9.57534 -41.8623 -64.622 -9.96505 -9.57537 -9.96507 -16.6369 GPRESSAVG: 3241200 64.3536 -40.9605 -10.702 -40.9102 -64.7123 -9.24518 -9.14998 -11.2919 -15.5369 TIMING: 3241200 CPU: 10302.1, 0.00313162/step Wall: 10302.1, 0.00313162/step, 1.52997 hours remaining, 234.460938 MB of memory in use. ENERGY: 3241200 4013.7232 20331.8367 14439.5668 256.7807 -203372.2793 2535.4826 0.0000 0.0000 51914.4178 -109880.4714 298.3529 -161794.8892 -109525.5608 298.5357 91.7630 127.1186 760751.2150 -5.1850 -5.2985 PRESSURE: 3241400 -210.281 133.009 85.1231 133.01 -332.375 -70.7913 85.1229 -70.791 -205.424 GPRESSURE: 3241400 -92.4303 25.8761 119.725 73.4387 -397.037 41.2781 -17.2301 -79.9795 -162.341 PRESSAVG: 3241400 15.4663 -24.7195 -48.3598 -24.7195 2.42553 13.207 -48.3599 13.207 -5.43152 GPRESSAVG: 3241400 16.6503 -23.7745 -48.9909 -24.1987 1.48393 14.2145 -47.7585 14.1213 -5.89294 TIMING: 3241400 CPU: 10302.7, 0.00311528/step Wall: 10302.7, 0.00311528/step, 1.52181 hours remaining, 234.460938 MB of memory in use. ENERGY: 3241400 3942.0568 20440.6089 14469.9513 257.0231 -202882.0744 1982.5055 0.0000 0.0000 51916.2257 -109873.7030 298.3633 -161789.9287 -109507.4499 298.4469 -249.3601 -217.2694 761558.7308 4.1534 4.0804 PRESSURE: 3241600 -405.524 -114.802 77.0095 -114.801 -48.9675 158.85 77.0094 158.85 -255.355 GPRESSURE: 3241600 -397.136 -156.068 88.4978 -79.443 24.7731 148.105 23.6222 87.8294 -240.656 PRESSAVG: 3241600 6.31283 -40.7664 -55.41 -40.7665 -10.5477 78.9422 -55.4101 78.9422 -2.04665 GPRESSAVG: 3241600 6.06111 -39.8951 -54.1983 -41.1687 -9.62524 80.0382 -57.4981 77.5644 -2.70243 TIMING: 3241600 CPU: 10303.4, 0.00311053/step Wall: 10303.4, 0.00311053/step, 1.51932 hours remaining, 234.460938 MB of memory in use. ENERGY: 3241600 4057.7860 20250.4427 14482.8300 246.0434 -203231.7111 2456.8002 0.0000 0.0000 52022.8822 -109714.9265 298.9762 -161737.8087 -109354.1551 298.6139 -236.6156 -204.3396 762082.5873 -2.0939 -2.0889 PRESSURE: 3241800 -239.846 173.282 12.7395 173.281 -79.0287 -205.066 12.7387 -205.066 22.5113 GPRESSURE: 3241800 -259.518 150.292 -47.4454 73.3076 -54.9143 -219.549 -137.095 -176.531 81.4996 PRESSAVG: 3241800 -51.0426 -33.8123 37.2997 -33.8123 55.4592 43.86 37.2997 43.86 -26.7115 GPRESSAVG: 3241800 -52.0534 -33.5433 37.0519 -34.625 55.3912 43.6641 36.5425 44.5707 -25.7686 TIMING: 3241800 CPU: 10304, 0.00313626/step Wall: 10304, 0.00313626/step, 1.53172 hours remaining, 234.460938 MB of memory in use. ENERGY: 3241800 4039.9845 20482.4914 14469.8315 243.9400 -203542.9038 2610.6082 0.0000 0.0000 51832.7824 -109863.2658 297.8837 -161696.0481 -109507.9993 298.4981 -98.7877 -77.6443 762049.5110 -7.4316 -7.4769 PRESSURE: 3242000 -95.7716 -13.0325 6.8649 -13.0332 6.90583 217.205 6.86442 217.204 -198.842 GPRESSURE: 3242000 -88.0122 88.2448 -44.1774 -29.829 14.2851 223.956 -52.2673 238.967 -135.903 PRESSAVG: 3242000 -38.7193 -72.0098 -21.9664 -72.0098 -1.72849 60.8987 -21.9663 60.8986 16.9505 GPRESSAVG: 3242000 -37.7281 -73.8699 -22.3585 -71.798 -2.97769 58.5623 -19.0812 60.2847 17.2952 TIMING: 3242000 CPU: 10304.6, 0.00311961/step Wall: 10304.6, 0.00311961/step, 1.52341 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3242000 4033.6070 20432.8447 14511.0163 274.6484 -203222.2507 2443.8387 0.0000 0.0000 51611.2526 -109915.0430 296.6106 -161526.2956 -109566.6925 297.8696 -95.9027 -69.8765 760765.0869 -7.8324 -7.8035 PRESSURE: 3242200 -184.012 -173.56 131.3 -173.56 -276.574 41.1309 131.3 41.1316 -109.544 GPRESSURE: 3242200 -91.9841 -145.436 244.956 -226.013 -255.279 -14.9911 53.5905 45.9147 -122.152 PRESSAVG: 3242200 38.4976 -19.8634 2.56682 -19.8634 2.54412 20.5922 2.5669 20.5922 -22.9407 GPRESSAVG: 3242200 38.902 -20.0246 3.85736 -20.3608 2.09658 20.2723 2.26844 20.2443 -22.3094 TIMING: 3242200 CPU: 10305.2, 0.00312724/step Wall: 10305.2, 0.00312724/step, 1.52696 hours remaining, 234.460938 MB of memory in use. ENERGY: 3242200 3983.9740 20467.5793 14528.0410 258.7104 -203247.6746 2313.9165 0.0000 0.0000 51869.9803 -109825.4730 298.0975 -161695.4532 -109460.4654 297.9691 -190.0437 -156.4718 760665.7019 6.0337 6.2297 PRESSURE: 3242400 94.6957 -96.8169 87.1427 -96.8178 62.3513 -282.247 87.1424 -282.247 302.062 GPRESSURE: 3242400 51.6915 -23.3897 62.1684 -84.3754 195.92 -308.085 47.8087 -239.628 314.148 PRESSAVG: 3242400 0.621422 -18.6052 -47.5502 -18.6053 -19.6897 -28.7436 -47.5503 -28.7436 17.6977 GPRESSAVG: 3242400 -0.768208 -18.0438 -47.0994 -17.5046 -17.3461 -26.9462 -48.8869 -27.6968 16.434 TIMING: 3242400 CPU: 10305.9, 0.00311076/step Wall: 10305.9, 0.00311076/step, 1.51874 hours remaining, 234.460938 MB of memory in use. ENERGY: 3242400 4009.7463 20363.9531 14507.5480 249.9244 -203682.8778 2791.4674 0.0000 0.0000 51984.9320 -109775.3067 298.7581 -161760.2387 -109409.4234 298.2117 153.0363 187.2534 761336.4601 -0.4569 -0.5601 PRESSURE: 3242600 -317.543 45.269 72.6304 45.2693 -279.4 -131.074 72.63 -131.073 -9.69735 GPRESSURE: 3242600 -147.393 170.462 5.85407 17.6361 -335.566 -39.6757 103.444 -85.9573 -50.2729 PRESSAVG: 3242600 -67.8773 -65.6328 5.94267 -65.6328 53.2603 -48.6573 5.94262 -48.6573 -11.8726 GPRESSAVG: 3242600 -68.0241 -66.1331 4.9379 -63.7124 52.0472 -48.2726 7.05029 -50.3705 -10.9779 TIMING: 3242600 CPU: 10306.5, 0.00311791/step Wall: 10306.5, 0.00311791/step, 1.52206 hours remaining, 234.460938 MB of memory in use. ENERGY: 3242600 4036.0740 20594.8554 14472.1173 251.0616 -203378.1019 2427.1135 0.0000 0.0000 51872.1862 -109724.6938 298.1102 -161596.8800 -109372.0322 299.0530 -202.2134 -177.7440 760933.6845 -8.8299 -8.9849 PRESSURE: 3242800 179.834 34.5747 -174.091 34.5746 44.8531 -106.882 -174.09 -106.884 -117.443 GPRESSURE: 3242800 153.837 35.5496 -167.068 26.6851 95.7536 -189.059 -101.926 -49.0233 -59.3609 PRESSAVG: 3242800 1.41539 -19.2432 62.3187 -19.2432 -8.96467 -22.7261 62.3188 -22.7261 -20.9281 GPRESSAVG: 3242800 1.96372 -17.6458 63.6333 -21.4998 -9.13924 -23.422 60.8212 -20.8381 -21.1834 TIMING: 3242800 CPU: 10307.1, 0.00311307/step Wall: 10307.1, 0.00311307/step, 1.51952 hours remaining, 234.460938 MB of memory in use. ENERGY: 3242800 3961.1727 20309.1714 14483.2400 239.4940 -203672.9209 2693.7792 0.0000 0.0000 52052.7669 -109933.2968 299.1480 -161986.0637 -109570.7572 298.7663 35.7480 63.4099 761021.2454 -9.4924 -9.4530 PRESSURE: 3243000 92.5571 45.5268 128.14 45.5259 -12.1189 55.8209 128.141 55.8207 272.755 GPRESSURE: 3243000 161.888 6.59587 62.5249 -46.1904 9.37204 8.1058 323.167 61.5672 286.152 PRESSAVG: 3243000 43.8423 3.48008 52.0291 3.48004 -49.3041 32.5601 52.0291 32.5601 -11.6934 GPRESSAVG: 3243000 42.9428 2.63516 51.7586 4.21865 -49.2635 31.5592 53.1424 32.985 -10.8682 TIMING: 3243000 CPU: 10307.7, 0.00312317/step Wall: 10307.7, 0.00312317/step, 1.52428 hours remaining, 234.460938 MB of memory in use. ENERGY: 3243000 4075.8596 20316.0641 14488.3385 232.4716 -203429.3785 2445.2468 0.0000 0.0000 52066.0166 -109805.3813 299.2241 -161871.3978 -109447.9017 298.5393 117.7311 152.4708 760856.9084 -5.7184 -5.7296 PRESSURE: 3243200 -81.2697 -171.807 128.693 -171.806 -116.556 86.4732 128.693 86.4735 30.1108 GPRESSURE: 3243200 11.4458 -173.55 116.235 -78.9856 -77.5135 3.56662 91.1805 57.6797 -11.2059 PRESSAVG: 3243200 65.7412 18.9764 60.4771 18.9764 -29.3887 13.7436 60.4771 13.7436 1.72613 GPRESSAVG: 3243200 65.9131 20.2123 58.2234 16.2497 -29.0638 14.7261 61.4875 10.7328 1.26361 TIMING: 3243200 CPU: 10308.4, 0.00311858/step Wall: 10308.4, 0.00311858/step, 1.52186 hours remaining, 234.460938 MB of memory in use. ENERGY: 3243200 4006.8351 20411.5943 14500.1987 256.2117 -203482.0925 2416.7709 0.0000 0.0000 52132.7544 -109757.7274 299.6077 -161890.4818 -109398.9524 298.8459 -55.9050 -25.7579 759687.1768 12.6929 12.7043 PRESSURE: 3243400 293.55 257.267 -30.1205 257.267 317.122 53.3847 -30.1202 53.385 390.344 GPRESSURE: 3243400 360.632 183.984 16.3351 340.712 310.307 52.6217 -16.1067 -29.4093 408.146 PRESSAVG: 3243400 49.1286 33.604 16.5166 33.604 -50.0757 -1.75327 16.5167 -1.75322 -9.08553 GPRESSAVG: 3243400 48.9562 34.7621 17.7123 32.9217 -50.5135 -2.71644 16.1312 -0.287596 -8.85442 TIMING: 3243400 CPU: 10309, 0.00310255/step Wall: 10309, 0.00310255/step, 1.51387 hours remaining, 234.460938 MB of memory in use. ENERGY: 3243400 3926.2926 20542.5409 14550.4998 235.9789 -203638.2158 2765.1094 0.0000 0.0000 52142.7707 -109475.0235 299.6652 -161617.7941 -109115.8070 298.9078 333.6720 359.6950 760911.1484 -3.3442 -3.4706 PRESSURE: 3243600 -55.7637 -81.6919 185.109 -81.6919 246.05 -117.52 185.109 -117.518 -204.782 GPRESSURE: 3243600 21.0097 -97.892 199.841 -149.404 208.246 -86.264 150.22 -108.21 -150.201 PRESSAVG: 3243600 16.0288 19.4808 3.09253 19.4809 1.74106 -17.1778 3.09249 -17.1777 5.60271 GPRESSAVG: 3243600 16.1006 16.189 2.44134 22.2037 1.9227 -16.9331 3.53232 -14.9699 5.84172 TIMING: 3243600 CPU: 10309.6, 0.00310247/step Wall: 10309.6, 0.00310247/step, 1.51366 hours remaining, 234.460938 MB of memory in use. ENERGY: 3243600 3972.3821 20525.3013 14502.1756 251.9998 -203447.2441 2666.1006 0.0000 0.0000 52091.8039 -109437.4809 299.3723 -161529.2849 -109076.2093 299.4193 -4.8320 26.3514 760674.1405 7.7909 7.9550 PRESSURE: 3243800 224.089 -155.356 -109.589 -155.357 -2.67137 -11.0902 -109.589 -11.0909 -458.773 GPRESSURE: 3243800 220.991 -159.112 -56.6115 -117.248 34.1507 -42.9306 -137.485 13.8979 -406.777 PRESSAVG: 3243800 -15.0207 -3.38618 -13.2095 -3.38617 0.0433811 -39.1271 -13.2094 -39.1271 -4.86153 GPRESSAVG: 3243800 -15.0209 -2.25062 -11.9272 -3.82899 0.096571 -39.1753 -11.9829 -40.9307 -4.8278 TIMING: 3243800 CPU: 10310.2, 0.00312507/step Wall: 10310.2, 0.00312507/step, 1.52451 hours remaining, 234.460938 MB of memory in use. ENERGY: 3243800 4092.8887 20412.6193 14522.2559 230.7997 -203674.1929 2706.0581 0.0000 0.0000 52188.0693 -109521.5019 299.9256 -161709.5712 -109159.7769 299.9077 -79.1185 -50.5452 761180.5918 -6.6130 -6.5840 PRESSURE: 3244000 -136.847 -13.1206 -45.4194 -13.1206 -328.346 11.6033 -45.4189 11.6042 18.5189 GPRESSURE: 3244000 -76.3407 -32.7579 -50.1827 -180.912 -349.65 -23.5583 -29.2062 -10.1555 57.9114 PRESSAVG: 3244000 52.2433 -6.72386 29.2803 -6.72386 -71.3013 -26.9105 29.2803 -26.9105 5.4487 GPRESSAVG: 3244000 53.1276 -7.7469 30.7637 -8.2745 -71.1156 -26.6965 26.8187 -27.0686 4.13257 TIMING: 3244000 CPU: 10310.9, 0.00313513/step Wall: 10310.9, 0.00313513/step, 1.52925 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3244000 3964.6270 20488.1781 14519.9694 243.8841 -202913.1783 2135.9925 0.0000 0.0000 52098.7821 -109461.7450 299.4124 -161560.5271 -109105.2538 299.3228 -148.8914 -122.6932 760368.8851 -4.5364 -4.6185 PRESSURE: 3244200 -80.1645 -94.7888 121.96 -94.7891 -215.574 -147.162 121.959 -147.161 -150.697 GPRESSURE: 3244200 -144.318 -84.0092 112.887 -79.4609 -73.0843 -195.04 161.107 -116.315 -133.805 PRESSAVG: 3244200 -11.1099 11.5815 20.8552 11.5815 -35.3031 4.92277 20.8552 4.92274 -5.03293 GPRESSAVG: 3244200 -12.4899 13.0506 18.9963 12.9087 -33.2938 5.92823 23.2157 5.23262 -6.09653 TIMING: 3244200 CPU: 10311.5, 0.00310629/step Wall: 10311.5, 0.00310629/step, 1.51501 hours remaining, 234.460938 MB of memory in use. ENERGY: 3244200 4056.2764 20582.5527 14480.6512 246.9082 -203363.3090 2459.7550 0.0000 0.0000 52108.7798 -109428.3859 299.4699 -161537.1656 -109066.6738 299.2032 -148.8118 -117.0691 759747.2504 -17.1486 -17.2934 LDB: ============= START OF LOAD BALANCING ============== 10323.9 LDB: ============== END OF LOAD BALANCING =============== 10323.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10323.9 LDB: ============= START OF LOAD BALANCING ============== 10324.2 LDB: Largest compute 7036 load 0.029690 is 15.2% of average load 0.195512 LDB: Average compute 0.004379 is 2.2% of average load 0.195512 LDB: TIME 10324.2 LOAD: AVG 0.195512 MAX 0.215113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.699 MB LDB: TIME 10324.2 LOAD: AVG 0.195512 MAX 0.215113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: TIME 10324.2 LOAD: AVG 0.195512 MAX 0.215113 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: ============== END OF LOAD BALANCING =============== 10324.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10324.2 PRESSURE: 3244400 -294.139 72.55 -114.308 72.5507 193.508 -139.795 -114.309 -139.795 204.803 GPRESSURE: 3244400 -223.015 32.078 -119.255 87.0366 244.944 -29.5272 -166.009 -130.547 162.287 PRESSAVG: 3244400 -19.4877 31.5323 6.71893 31.5323 -1.56481 -4.00408 6.71889 -4.00403 10.7529 GPRESSAVG: 3244400 -18.3536 31.6117 8.84432 29.8402 -3.55178 -5.30424 6.75691 -3.89061 11.5037 TIMING: 3244400 CPU: 10312.1, 0.00317813/step Wall: 10312.1, 0.00317813/step, 1.54987 hours remaining, 233.562500 MB of memory in use. ENERGY: 3244400 4019.8326 20570.9884 14438.1485 260.8695 -203201.1726 2552.7771 0.0000 0.0000 51941.4830 -109417.0736 298.5084 -161358.5566 -109047.3078 299.8778 34.7243 61.4052 761035.9393 -3.4332 -3.4672 PRESSURE: 3244600 254.425 8.14325 196.726 8.14268 233.663 -123.042 196.726 -123.042 126.521 GPRESSURE: 3244600 365.527 75.6818 252.788 19.1602 172.434 -145.75 50.5736 -214.645 156.036 PRESSAVG: 3244600 41.1363 69.0136 68.1586 69.0135 -16.9207 -49.7456 68.1587 -49.7455 38.6001 GPRESSAVG: 3244600 40.7135 68.4927 66.4411 70.0741 -17.4204 -50.1816 66.2508 -50.6907 39.73 TIMING: 3244600 CPU: 10312.7, 0.00310222/step Wall: 10312.7, 0.00310222/step, 1.51268 hours remaining, 233.562500 MB of memory in use. ENERGY: 3244600 3923.2486 20678.4136 14470.8537 241.6458 -202902.0849 2255.3087 0.0000 0.0000 51812.7166 -109519.8980 297.7684 -161332.6146 -109163.5920 299.3914 204.8697 231.3320 760086.9670 20.9386 21.0077 PRESSURE: 3244800 -6.09085 130.79 95.9531 130.789 -31.3097 -135.328 95.9527 -135.328 125.863 GPRESSURE: 3244800 52.4522 6.50017 126.555 22.3763 57.9477 -83.7063 170.082 -149.77 80.7334 PRESSAVG: 3244800 58.0025 27.3678 28.8422 27.3678 -45.5292 -16.5974 28.8422 -16.5974 26.7572 GPRESSAVG: 3244800 58.8007 26.8727 30.4722 27.2815 -45.1587 -15.4349 28.2692 -16.9709 25.5603 TIMING: 3244800 CPU: 10313.3, 0.00310492/step Wall: 10313.3, 0.00310492/step, 1.51382 hours remaining, 233.562500 MB of memory in use. ENERGY: 3244800 3884.4001 20490.5162 14402.1268 256.1590 -202963.9533 2302.2859 0.0000 0.0000 51863.7906 -109764.6748 298.0619 -161628.4654 -109394.7387 298.5127 29.4874 63.7111 761922.4673 13.0768 13.0674 PRESSURE: 3245000 345.594 60.5572 -260.807 60.5582 46.616 31.446 -260.808 31.4462 -48.5525 GPRESSURE: 3245000 508.125 134.45 -296.311 6.05095 56.8402 73.7383 -248.229 85.3343 -107.221 PRESSAVG: 3245000 11 -22.2512 23.2109 -22.2511 -14.8734 15.1449 23.2109 15.1449 4.14951 GPRESSAVG: 3245000 10.6441 -20.3518 21.4088 -22.5363 -13.9315 14.5439 24.0864 15.4651 4.56314 TIMING: 3245000 CPU: 10314, 0.00311205/step Wall: 10314, 0.00311205/step, 1.51712 hours remaining, 233.562500 MB of memory in use. ENERGY: 3245000 4022.6535 20397.7206 14447.3218 250.0223 -203748.8169 2689.5644 0.0000 0.0000 51925.8111 -110015.7233 298.4183 -161941.5344 -109669.5818 298.3611 114.5524 152.5812 762241.0748 0.0920 0.4252 PRESSURE: 3245200 78.3346 -205.818 -222.433 -205.818 -329.669 -46.1982 -222.434 -46.1985 243.07 GPRESSURE: 3245200 82.0632 -278.717 -264.764 -60.6509 -297.257 -94.8444 -28.6313 -115.315 295.791 PRESSAVG: 3245200 7.3613 6.85889 -28.2745 6.85892 -20.6186 -29.33 -28.2745 -29.3299 -14.053 GPRESSAVG: 3245200 6.76007 5.02705 -28.0919 8.59887 -19.8354 -29.5812 -27.121 -28.0308 -14.4863 TIMING: 3245200 CPU: 10314.6, 0.00312276/step Wall: 10314.6, 0.00312276/step, 1.52217 hours remaining, 233.562500 MB of memory in use. ENERGY: 3245200 4035.9199 20396.6535 14430.9483 239.1141 -203463.2402 2554.6813 0.0000 0.0000 51714.2403 -110091.6828 297.2024 -161805.9231 -109740.2184 297.7283 -2.7545 26.8656 761660.2087 -9.1034 -9.1872 PRESSURE: 3245400 256.194 -47.8965 148.919 -47.8964 331.563 29.024 148.92 29.0231 -227.053 GPRESSURE: 3245400 323.451 -32.8115 133.898 -104.826 263.32 -84.7432 102.802 45.8939 -143.794 PRESSAVG: 3245400 -25.5345 -19.0946 -4.57661 -19.0946 0.442447 3.51102 -4.57661 3.51109 -18.2589 GPRESSAVG: 3245400 -24.8312 -18.5783 -4.34123 -20.2419 -1.14149 3.45626 -5.32929 0.451678 -17.6603 TIMING: 3245400 CPU: 10315.2, 0.00312494/step Wall: 10315.2, 0.00312494/step, 1.52306 hours remaining, 233.562500 MB of memory in use. ENERGY: 3245400 3938.2448 20356.1369 14418.8719 243.3558 -203584.8947 2580.2384 0.0000 0.0000 52282.7442 -109765.3026 300.4696 -162048.0469 -109394.9523 298.1343 120.2346 147.6590 759586.6604 -14.4503 -14.5444 PRESSURE: 3245600 -161.633 -6.31327 32.0612 -6.31314 19.3469 -93.3143 32.0612 -93.3144 -341.408 GPRESSURE: 3245600 -115.367 122.638 47.2519 -56.0358 24.4251 -5.91848 110.327 -206.891 -328.526 PRESSAVG: 3245600 -0.621014 -41.2142 -24.675 -41.2143 4.58452 7.00963 -24.675 7.00963 10.2557 GPRESSAVG: 3245600 -1.03912 -41.0412 -23.038 -41.3266 5.70806 6.20833 -25.6733 9.16851 9.69849 TIMING: 3245600 CPU: 10315.8, 0.0031142/step Wall: 10315.8, 0.0031142/step, 1.51765 hours remaining, 233.562500 MB of memory in use. ENERGY: 3245600 3973.7778 20493.9913 14440.7841 263.4766 -203360.2558 2531.8295 0.0000 0.0000 51822.7071 -109833.6894 297.8258 -161656.3965 -109488.5199 298.4233 -161.2313 -139.8228 761238.2398 4.7397 4.7891 PRESSURE: 3245800 143.574 -143.777 -315.509 -143.775 -196.815 -81.2982 -315.508 -81.2975 260.325 GPRESSURE: 3245800 139.11 -173.66 -242.217 -152.766 -139.158 -113.745 -179.097 60.4584 288.22 PRESSAVG: 3245800 -26.0611 -22.4272 65.222 -22.4272 15.071 -70.1053 65.222 -70.1053 4.27319 GPRESSAVG: 3245800 -25.7661 -19.7836 63.9133 -23.4425 15.157 -69.7989 65.1352 -68.8126 4.36227 TIMING: 3245800 CPU: 10316.5, 0.00312228/step Wall: 10316.5, 0.00312228/step, 1.52142 hours remaining, 233.562500 MB of memory in use. ENERGY: 3245800 3884.7518 20486.7681 14439.1917 229.4724 -203306.7040 2396.8750 0.0000 0.0000 51872.5180 -109997.1269 298.1121 -161869.6450 -109635.9056 298.3409 69.0279 96.0572 761532.3845 -2.2390 -2.0823 PRESSURE: 3246000 53.3701 40.9937 -305.178 40.9928 33.3469 -240.741 -305.178 -240.742 240.577 GPRESSURE: 3246000 90.5716 82.5572 -287.555 14.8315 130.453 -189.206 -181.324 -243.339 211.728 PRESSAVG: 3246000 11.679 -56.1124 59.5112 -56.1125 -9.90826 -47.618 59.5112 -47.6178 8.16061 GPRESSAVG: 3246000 12.538 -57.405 58.9237 -56.5235 -10.8786 -47.5142 61.8049 -48.2113 8.72929 TIMING: 3246000 CPU: 10317.1, 0.00312514/step Wall: 10317.1, 0.00312514/step, 1.52264 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3246000 3934.7893 20498.0945 14429.1890 250.3749 -203388.2150 2395.8938 0.0000 0.0000 51981.4028 -109898.4707 298.7378 -161879.8735 -109523.1496 298.7610 109.0980 144.2511 759707.4971 3.3105 3.4629 PRESSURE: 3246200 -195.004 87.9667 -21.4287 87.9667 -190.46 -218.266 -21.4293 -218.267 221.03 GPRESSURE: 3246200 -149.623 21.7544 128.549 98.5438 -72.3445 -269.121 91.4279 -241.447 132.703 PRESSAVG: 3246200 24.5874 -67.2469 34.0008 -67.2469 -24.6346 14.7085 34.0008 14.7085 1.28398 GPRESSAVG: 3246200 23.1989 -69.1506 33.4632 -63.4521 -23.8995 13.8188 33.0255 13.9377 2.11441 TIMING: 3246200 CPU: 10317.7, 0.0031252/step Wall: 10317.7, 0.0031252/step, 1.52249 hours remaining, 233.562500 MB of memory in use. ENERGY: 3246200 3952.4737 20564.6035 14516.8289 231.6508 -203397.4416 2475.6201 0.0000 0.0000 51748.1337 -109908.1309 297.3972 -161656.2646 -109556.6625 298.5155 -54.8110 -29.7550 760506.8684 0.4123 0.4713 PRESSURE: 3246400 -42.2831 -8.98281 327.395 -8.98325 58.638 234.849 327.395 234.849 -250.995 GPRESSURE: 3246400 -9.08089 51.8856 251.252 15.678 43.4947 141.955 290.082 180.8 -183.468 PRESSAVG: 3246400 27.1742 18.6457 -21.9907 18.6457 -45.5301 -48.0408 -21.9907 -48.0408 8.34574 GPRESSAVG: 3246400 26.9957 22.9036 -21.4969 14.4614 -45.4001 -47.0931 -24.7732 -48.7683 8.52566 TIMING: 3246400 CPU: 10318.3, 0.00311467/step Wall: 10318.3, 0.00311467/step, 1.51719 hours remaining, 233.562500 MB of memory in use. ENERGY: 3246400 3997.1752 20441.2710 14453.5379 254.8895 -203393.6523 2355.0539 0.0000 0.0000 51955.6037 -109936.1211 298.5896 -161891.7248 -109571.5834 298.4173 -78.2132 -49.6847 759965.5387 -3.3367 -3.2929 PRESSURE: 3246600 120.759 294.187 113.289 294.187 -97.408 -122.802 113.289 -122.803 -321.672 GPRESSURE: 3246600 174.167 263.226 101.428 299.753 -106.745 -139.802 -38.0793 -163.611 -267.104 PRESSAVG: 3246600 27.2474 -2.15806 -2.85185 -2.1581 -4.20475 -29.6249 -2.85176 -29.625 -36.9381 GPRESSAVG: 3246600 27.8407 -3.27509 -3.64217 -2.48778 -4.72749 -29.8538 -1.66537 -32.2093 -36.917 TIMING: 3246600 CPU: 10319, 0.00312338/step Wall: 10319, 0.00312338/step, 1.52126 hours remaining, 233.562500 MB of memory in use. ENERGY: 3246600 3941.0027 20458.4227 14502.3120 253.0486 -203422.0286 2476.7877 0.0000 0.0000 51988.3557 -109802.0992 298.7778 -161790.4549 -109448.1700 298.1680 -99.4403 -66.5607 761309.7755 -4.6318 -4.6013 PRESSURE: 3246800 -110.431 -76.8071 39.4068 -76.8062 51.7212 -6.04735 39.4066 -6.04738 218.065 GPRESSURE: 3246800 32.1128 -74.5972 14.9742 -124.912 31.5948 -60.2826 21.4953 31.5388 181.221 PRESSAVG: 3246800 12.2099 9.73793 -38.4507 9.73792 -30.0829 -4.73227 -38.4507 -4.73235 -1.82986 GPRESSAVG: 3246800 12.8267 8.64958 -38.767 11.8268 -29.6312 -6.24223 -38.2218 -0.614334 -3.49892 TIMING: 3246800 CPU: 10319.6, 0.00312241/step Wall: 10319.6, 0.00312241/step, 1.52061 hours remaining, 233.562500 MB of memory in use. ENERGY: 3246800 3935.3866 20455.0914 14554.0381 238.2458 -203735.9094 2743.1918 0.0000 0.0000 52077.3384 -109732.6174 299.2892 -161809.9558 -109383.1636 298.4196 53.1185 81.6429 760256.7934 -6.5676 -6.7678 PRESSURE: 3247000 -67.7662 90.5667 22.2385 90.5663 -251.32 -342.696 22.2376 -342.696 -262.926 GPRESSURE: 3247000 -7.35279 148.663 118.292 144.033 -207.926 -204.198 56.2025 -261.406 -287.47 PRESSAVG: 3247000 30.7866 24.6817 57.6676 24.6817 -29.0958 -46.7257 57.6676 -46.7256 -9.25945 GPRESSAVG: 3247000 30.5642 23.8831 57.9451 23.8692 -29.5356 -45.187 56.9887 -47.3638 -8.42727 TIMING: 3247000 CPU: 10320.2, 0.00310974/step Wall: 10320.2, 0.00310974/step, 1.51427 hours remaining, 233.562500 MB of memory in use. ENERGY: 3247000 3937.6035 20547.0454 14530.2109 244.9195 -203318.2129 2436.7954 0.0000 0.0000 51864.7824 -109756.8557 298.0676 -161621.6381 -109398.1018 298.6592 -194.0043 -167.5830 762272.0598 -2.5229 -2.4663 PRESSURE: 3247200 252.702 85.3028 23.5179 85.3031 -12.7414 -49.3191 23.5172 -49.3199 113.262 GPRESSURE: 3247200 339.819 20.2243 -33.3079 123.279 -66.1589 -23.2267 116.829 -151.502 145.001 PRESSAVG: 3247200 37.1768 -21.1224 0.413413 -21.1224 -55.9258 -28.0277 0.413397 -28.0277 13.642 GPRESSAVG: 3247200 37.7321 -19.4558 -0.418333 -20.155 -56.0838 -29.4194 2.69993 -25.8582 13.0682 TIMING: 3247200 CPU: 10320.8, 0.00311712/step Wall: 10320.8, 0.00311712/step, 1.51769 hours remaining, 233.562500 MB of memory in use. ENERGY: 3247200 4020.6639 20615.0646 14418.5608 218.4365 -203108.2739 2382.1635 0.0000 0.0000 51805.7600 -109647.6245 297.7284 -161453.3845 -109294.0886 298.6778 117.7410 139.5536 760569.9340 -1.7023 -1.7611 PRESSURE: 3247400 209.096 20.9846 153.701 20.9849 -84.3235 1.07502 153.7 1.07591 189.627 GPRESSURE: 3247400 174.578 9.10574 79.4461 11.3835 48.8766 -51.5033 29.4857 -64.7443 181.633 PRESSAVG: 3247400 -7.1247 5.96134 16.7152 5.96134 42.2314 -57.0464 16.7151 -57.0464 -9.78237 GPRESSAVG: 3247400 -8.53666 5.56823 18.03 5.56296 42.6783 -56.0537 14.1323 -58.662 -9.1732 TIMING: 3247400 CPU: 10321.5, 0.00311512/step Wall: 10321.5, 0.00311512/step, 1.51654 hours remaining, 233.562500 MB of memory in use. ENERGY: 3247400 3959.3184 20449.0846 14454.9404 264.3059 -203139.3057 2367.7939 0.0000 0.0000 51900.3849 -109743.4776 298.2722 -161643.8625 -109395.1968 298.6080 104.7999 135.0293 761378.7769 8.4414 8.3228 PRESSURE: 3247600 66.1835 3.03456 54.2618 3.03421 362.522 -39.1243 54.2627 -39.124 -264.157 GPRESSURE: 3247600 185.748 -1.90363 -10.1725 120.607 309.357 -82.0449 176.194 -64.7468 -220.53 PRESSAVG: 3247600 -21.7835 27.8884 25.7852 27.8884 -11.062 -23.6852 25.7852 -23.685 -9.26954 GPRESSAVG: 3247600 -21.5485 28.1797 24.4184 28.0099 -12.3261 -24.5606 26.3592 -23.1885 -8.7348 TIMING: 3247600 CPU: 10322.1, 0.00312419/step Wall: 10322.1, 0.00312419/step, 1.52078 hours remaining, 233.562500 MB of memory in use. ENERGY: 3247600 3970.1956 20393.6382 14444.5270 258.8572 -203139.0310 2391.6701 0.0000 0.0000 51937.5172 -109742.6256 298.4856 -161680.1428 -109377.1566 298.2770 54.8496 91.5251 760405.5838 -14.0383 -14.2031 PRESSURE: 3247800 -10.1487 212.05 -49.4198 212.051 -11.5503 255.558 -49.4199 255.557 -127.314 GPRESSURE: 3247800 -23.36 128.49 -120.128 10.6335 74.601 319.324 -47.4613 239.023 -103.205 PRESSAVG: 3247800 20.3803 35.4234 16.6021 35.4234 -0.499579 19.1138 16.6021 19.1138 -11.1551 GPRESSAVG: 3247800 20.6216 35.5601 18.6751 35.7997 -0.284609 20.3106 15.8494 20.3894 -10.7012 TIMING: 3247800 CPU: 10322.7, 0.00312445/step Wall: 10322.7, 0.00312445/step, 1.52074 hours remaining, 233.562500 MB of memory in use. ENERGY: 3247800 3949.0576 20353.6796 14387.1863 244.1233 -203163.6516 2481.3496 0.0000 0.0000 52021.0000 -109727.2552 298.9654 -161748.2553 -109360.6282 298.4798 -49.6711 -17.3212 761356.0420 2.9085 3.2119 PRESSURE: 3248000 -94.5833 -171.593 -18.7494 -171.593 -398.01 -125.537 -18.7505 -125.536 214.992 GPRESSURE: 3248000 -46.5583 -216.574 -190.099 -180.6 -325.566 -183.758 39.0885 36.5285 199.459 PRESSAVG: 3248000 6.90233 14.8264 -2.20326 14.8264 -36.3871 83.4136 -2.20329 83.4137 19.2581 GPRESSAVG: 3248000 6.6342 14.7624 -2.75021 12.9588 -35.0592 83.4761 1.31943 81.2903 18.0651 TIMING: 3248000 CPU: 10323.3, 0.00313756/step Wall: 10323.3, 0.00313756/step, 1.52694 hours remaining, 233.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3248000 3986.9296 20366.5395 14519.3490 254.7254 -203616.6874 2731.0007 0.0000 0.0000 51885.7278 -109872.4153 298.1880 -161758.1431 -109507.8092 297.8129 -92.5337 -57.5550 761911.5105 -3.4089 -3.4533 PRESSURE: 3248200 -92.6607 -198.698 145.853 -198.698 -244.78 59.0931 145.853 59.0928 448.141 GPRESSURE: 3248200 -8.95936 -195.492 160.167 -156.432 -177.88 107.347 90.0624 -0.821391 377.35 PRESSAVG: 3248200 39.0728 -9.78512 16.5651 -9.78513 -61.6707 -2.87822 16.5651 -2.87822 10.0096 GPRESSAVG: 3248200 38.871 -9.90667 16.6414 -9.81243 -61.9373 -3.56413 14.8466 -3.0367 10.5426 TIMING: 3248200 CPU: 10324, 0.00312653/step Wall: 10324, 0.00312653/step, 1.5214 hours remaining, 233.562500 MB of memory in use. ENERGY: 3248200 3998.3266 20410.6100 14447.5210 248.8068 -203148.1044 2474.3773 0.0000 0.0000 51808.4041 -109760.0586 297.7436 -161568.4627 -109402.4581 297.9319 36.9002 63.5035 762367.7004 -4.1961 -4.1746 LDB: ============= START OF LOAD BALANCING ============== 10336.4 LDB: ============== END OF LOAD BALANCING =============== 10336.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10336.4 LDB: ============= START OF LOAD BALANCING ============== 10336.7 LDB: Largest compute 7035 load 0.029052 is 14.9% of average load 0.195507 LDB: Average compute 0.004381 is 2.2% of average load 0.195507 LDB: TIME 10336.7 LOAD: AVG 0.195507 MAX 0.217625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.066 MB LDB: TIME 10336.7 LOAD: AVG 0.195507 MAX 0.217625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.23 MB LDB: TIME 10336.7 LOAD: AVG 0.195507 MAX 0.217625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.23 MB LDB: ============== END OF LOAD BALANCING =============== 10336.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10336.7 PRESSURE: 3248400 -51.9116 14.5164 -199.908 14.5175 62.5087 142.818 -199.909 142.818 203.135 GPRESSURE: 3248400 -28.6322 72.8334 -121.006 -96.8149 84.6459 84.0687 -195.756 233.303 220.304 PRESSAVG: 3248400 34.7065 -10.9421 -14.7053 -10.942 -68.784 28.4465 -14.7053 28.4465 -23.7888 GPRESSAVG: 3248400 34.669 -10.4016 -14.7199 -12.4377 -69.8938 28.2798 -14.0433 29.7431 -22.6148 TIMING: 3248400 CPU: 10324.6, 0.00318927/step Wall: 10324.6, 0.00318927/step, 1.55175 hours remaining, 234.265625 MB of memory in use. ENERGY: 3248400 4026.3577 20448.4073 14387.3436 250.2366 -203339.5458 2642.5958 0.0000 0.0000 51782.6743 -109801.9305 297.5957 -161584.6048 -109440.6885 298.1818 71.2440 92.1059 760948.6506 -19.2888 -19.2799 PRESSURE: 3248600 96.0481 270.676 22.8672 270.677 305.052 113.289 22.8673 113.289 154.463 GPRESSURE: 3248600 141.715 220.841 26.714 261.268 313.93 36.2279 43.0552 112.236 163.465 PRESSAVG: 3248600 41.5396 -18.9803 -19.6756 -18.9802 -10.2329 68.5906 -19.6755 68.5906 17.8454 GPRESSAVG: 3248600 42.0466 -18.8574 -20.0914 -14.9973 -9.72504 67.9772 -20.5192 67.2878 16.9727 TIMING: 3248600 CPU: 10325.2, 0.00312908/step Wall: 10325.2, 0.00312908/step, 1.5223 hours remaining, 234.660156 MB of memory in use. ENERGY: 3248600 3963.3986 20528.0359 14380.8099 267.8588 -203592.5517 2749.6154 0.0000 0.0000 51847.2136 -109855.6197 297.9666 -161702.8332 -109495.6886 298.3180 185.1877 206.3699 759028.9477 16.3840 16.4314 PRESSURE: 3248800 227.268 -113.862 134.4 -113.861 228.772 -41.4602 134.4 -41.4597 138.604 GPRESSURE: 3248800 176.493 -115.587 188.854 -54.928 367.37 22.9022 38.2043 -25.2584 142.158 PRESSAVG: 3248800 27.0777 21.4423 -33.6725 21.4424 -19.329 92.5901 -33.6725 92.5901 10.4051 GPRESSAVG: 3248800 27.7963 19.3604 -32.7557 19.3002 -20.0792 92.8048 -33.8918 92.2676 10.6899 TIMING: 3248800 CPU: 10325.8, 0.00312326/step Wall: 10325.8, 0.00312326/step, 1.51929 hours remaining, 234.660156 MB of memory in use. ENERGY: 3248800 4059.3117 20557.9552 14486.2654 237.9439 -203792.1538 2923.8039 0.0000 0.0000 51969.1869 -109557.6867 298.6676 -161526.8737 -109201.4011 298.6789 198.2148 228.6735 759934.5336 6.0513 6.1357 PRESSURE: 3249000 -316.222 -194.081 -168.648 -194.08 -232.588 124.514 -168.648 124.513 -331.472 GPRESSURE: 3249000 -275.669 -89.1332 -119.691 -148.276 -207.144 88.0358 9.94918 188.405 -325.925 PRESSAVG: 3249000 41.7317 -33.5203 -39.2553 -33.5202 8.79086 28.8656 -39.2554 28.8656 5.34805 GPRESSAVG: 3249000 41.222 -32.4782 -41.6157 -32.6406 10.3196 28.9114 -39.7261 28.7706 3.80119 TIMING: 3249000 CPU: 10326.5, 0.00313269/step Wall: 10326.5, 0.00313269/step, 1.52371 hours remaining, 234.660156 MB of memory in use. ENERGY: 3249000 4003.5231 20495.8632 14403.1471 246.1298 -202823.5406 2083.3502 0.0000 0.0000 52058.0935 -109533.4336 299.1786 -161591.5271 -109176.2632 299.3205 -293.4272 -269.5792 760474.2193 18.6235 18.4476 PRESSURE: 3249200 292.661 141.25 53.132 141.249 182.532 97.4097 53.1317 97.4091 -192.17 GPRESSURE: 3249200 358.269 139.846 74.1382 74.0294 272.993 132.963 32.0725 48.6798 -251.12 PRESSAVG: 3249200 106.363 -0.551701 0.298339 -0.551784 -62.3358 -7.38037 0.298423 -7.38031 19.7588 GPRESSAVG: 3249200 107 -1.47397 2.04967 0.560676 -62.7093 -5.91427 0.221331 -5.85129 19.4315 TIMING: 3249200 CPU: 10327.1, 0.00316507/step Wall: 10327.1, 0.00316507/step, 1.53928 hours remaining, 234.660156 MB of memory in use. ENERGY: 3249200 3982.7230 20381.2777 14374.1788 226.2867 -203143.8912 2594.6030 0.0000 0.0000 51900.3494 -109684.4727 298.2720 -161584.8221 -109325.6990 299.5247 94.3411 126.7139 759608.1449 21.2620 21.2406 PRESSURE: 3249400 96.75 111.463 23.6006 111.462 -97.834 177.698 23.5999 177.698 -50.1446 GPRESSURE: 3249400 146.707 95.5377 0.524034 156.205 -173.854 125.128 -2.43339 162.28 77.532 PRESSAVG: 3249400 59.7748 52.9995 -39.3813 52.9995 -93.0113 -3.28922 -39.3814 -3.28929 27.6114 GPRESSAVG: 3249400 61.0168 53.9898 -41.1806 51.8623 -96.1749 -6.47613 -39.5388 -3.58395 29.8206 TIMING: 3249400 CPU: 10327.7, 0.00312366/step Wall: 10327.7, 0.00312366/step, 1.51897 hours remaining, 234.660156 MB of memory in use. ENERGY: 3249400 3958.0961 20478.3693 14406.2565 256.0458 -203230.9174 2454.6181 0.0000 0.0000 51907.5245 -109770.0070 298.3133 -161677.5315 -109410.6615 298.5557 -17.0762 16.7953 760257.2434 -1.8751 -1.7792 PRESSURE: 3249600 19.5594 -135.602 96.8815 -135.601 -51.0827 -108.432 96.882 -108.432 -87.5649 GPRESSURE: 3249600 -20.732 -31.1618 140.062 -156.682 74.4071 -198.887 -64.1375 -21.9983 -89.6801 PRESSAVG: 3249600 37.3246 -44.8917 13.199 -44.8917 -44.7945 2.1112 13.199 2.11115 -8.30688 GPRESSAVG: 3249600 35.2662 -45.4439 16.0372 -44.3452 -42.1435 5.05564 12.7659 -0.675958 -9.40992 TIMING: 3249600 CPU: 10328.4, 0.00311643/step Wall: 10328.4, 0.00311643/step, 1.51528 hours remaining, 234.730469 MB of memory in use. ENERGY: 3249600 3992.0147 20483.0970 14431.8265 245.1979 -203488.6252 2682.9179 0.0000 0.0000 51931.7773 -109721.7938 298.4526 -161653.5711 -109365.2536 298.5538 -39.6961 -12.0017 761028.7643 -5.2589 -5.4291 PRESSURE: 3249800 236.988 36.6076 -141.727 36.6075 58.8701 169.887 -141.727 169.885 603.545 GPRESSURE: 3249800 223.804 87.2474 -213.685 34.6335 175.38 186.943 -85.0824 119.727 582.892 PRESSAVG: 3249800 -42.2232 -43.9256 -1.42232 -43.9256 -17.5828 6.22667 -1.42229 6.22657 25.5103 GPRESSAVG: 3249800 -41.7589 -44.86 -4.68191 -43.1687 -17.0494 4.82415 0.727524 7.9171 24.8166 TIMING: 3249800 CPU: 10329, 0.00312798/step Wall: 10329, 0.00312798/step, 1.52072 hours remaining, 234.730469 MB of memory in use. ENERGY: 3249800 4023.2554 20516.2898 14480.8533 254.5702 -204150.7599 3161.0091 0.0000 0.0000 52305.5646 -109409.2176 300.6008 -161714.7822 -109046.7688 299.3909 299.8008 327.3587 761778.8453 -11.4319 -11.3306 PRESSURE: 3250000 101.717 67.1488 61.3779 67.1479 -85.2195 -1.4318 61.3777 -1.43196 46.2328 GPRESSURE: 3250000 114.076 55.0569 24.9316 48.8801 -59.6186 -6.25519 -140.491 -14.2115 70.9818 PRESSAVG: 3250000 63.9969 -82.5308 23.9339 -82.5308 -57.6888 15.6504 23.9339 15.6503 7.3541 GPRESSAVG: 3250000 64.2586 -77.871 26.5089 -84.9198 -58.4894 15.7785 21.9411 15.1893 7.50446 TIMING: 3250000 CPU: 10329.6, 0.00312253/step Wall: 10329.6, 0.00312253/step, 1.5179 hours remaining, 234.730469 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: 3250000 4038.8730 20507.4395 14473.2460 240.8602 -203851.3278 2870.9753 0.0000 0.0000 52246.1141 -109473.8196 300.2591 -161719.9338 -109099.8780 299.5266 20.9101 41.8130 761512.7013 4.5541 4.4246 PRESSURE: 3250200 106.362 128.238 28.6125 128.239 209.621 221.06 28.6123 221.059 194.877 GPRESSURE: 3250200 120.933 68.6405 -2.5599 60.2121 246.46 291.465 -24.1702 109.705 223.857 PRESSAVG: 3250200 16.9437 51.136 35.2866 51.1361 -27.7381 -1.28245 35.2867 -1.28248 -12.2117 GPRESSAVG: 3250200 17.7283 49.5741 34.5311 50.3777 -29.2315 0.921148 35.9219 -3.23125 -11.5776 TIMING: 3250200 CPU: 10330.2, 0.00313302/step Wall: 10330.2, 0.00313302/step, 1.52282 hours remaining, 234.730469 MB of memory in use. ENERGY: 3250200 3983.5034 20606.4586 14535.8449 246.5167 -203779.4519 2840.4508 0.0000 0.0000 52094.0769 -109472.6004 299.3854 -161566.6773 -109114.6006 299.3297 170.2865 197.0832 761255.9930 -7.6687 -7.6936 PRESSURE: 3250400 288.502 126.956 -46.3636 126.957 -28.0526 66.3184 -46.3639 66.3188 -535.054 GPRESSURE: 3250400 311.712 37.4461 -100.095 210.155 -36.1313 114.938 11.6694 5.84824 -456.956 PRESSAVG: 3250400 5.46671 58.8955 43.7338 58.8955 -36.2256 22.0171 43.7338 22.017 -6.13686 GPRESSAVG: 3250400 3.42535 57.3102 44.6229 59.8921 -34.4095 21.1123 44.8206 23.6002 -6.36291 TIMING: 3250400 CPU: 10330.9, 0.00312487/step Wall: 10330.9, 0.00312487/step, 1.51869 hours remaining, 234.730469 MB of memory in use. ENERGY: 3250400 4018.7864 20598.6610 14385.1671 249.3945 -203609.8269 2619.0794 0.0000 0.0000 52250.3545 -109488.3840 300.2835 -161738.7385 -109132.2163 299.6247 -91.5350 -60.4582 761221.6572 -12.2986 -12.4490 PRESSURE: 3250600 32.9541 84.4223 202.136 84.4225 -128.859 -7.21699 202.136 -7.21809 49.565 GPRESSURE: 3250600 16.4993 184.624 121.793 181.269 -12.5689 -5.92039 93.1144 -104.396 49.7798 PRESSAVG: 3250600 57.7685 -1.84758 6.43727 -1.84765 -12.3968 45.0014 6.43721 45.0015 15.5638 GPRESSAVG: 3250600 57.7957 -3.42739 6.51456 0.247555 -11.4475 44.8778 4.77446 43.5982 15.4456 TIMING: 3250600 CPU: 10331.5, 0.00312904/step Wall: 10331.5, 0.00312904/step, 1.52054 hours remaining, 234.730469 MB of memory in use. ENERGY: 3250600 3991.5835 20572.3594 14397.9224 257.0586 -203361.2449 2347.6548 0.0000 0.0000 52257.4793 -109537.1869 300.3245 -161794.6662 -109163.0395 299.6553 -15.4467 17.9034 760032.7772 20.3118 20.5979 PRESSURE: 3250800 -45.5512 -219.916 -173.338 -219.916 -81.2371 101.154 -173.339 101.154 62.2245 GPRESSURE: 3250800 18.548 -183.59 -147.04 -83.3339 -86.1995 93.8485 -139.03 234.564 81.1201 PRESSAVG: 3250800 10.4308 -0.818996 5.95662 -0.818987 -18.0419 24.4526 5.9567 24.4526 -8.21369 GPRESSAVG: 3250800 10.398 1.979 5.40892 -3.88528 -18.4254 23.9557 7.70941 24.9066 -7.85921 TIMING: 3250800 CPU: 10332.1, 0.00312378/step Wall: 10332.1, 0.00312378/step, 1.51781 hours remaining, 234.730469 MB of memory in use. ENERGY: 3250800 3947.5499 20639.6883 14399.3011 239.7219 -203057.3989 2433.7702 0.0000 0.0000 51951.2878 -109446.0797 298.5648 -161397.3675 -109079.4112 299.3315 -21.5213 4.4896 762108.1293 -5.2749 -5.2955 PRESSURE: 3251000 -533.006 -235.68 205.575 -235.68 -58.276 -26.1729 205.575 -26.1722 -123.483 GPRESSURE: 3251000 -503.142 -294.7 245.647 -308.759 -50.9032 -4.84727 83.8696 56.1654 -84.3425 PRESSAVG: 3251000 -9.95091 -18.141 5.46046 -18.141 -37.5992 76.126 5.46049 76.126 2.98074 GPRESSAVG: 3251000 -10.3651 -21.1151 5.43195 -17.41 -37.5164 76.1264 4.40994 75.4063 3.63501 TIMING: 3251000 CPU: 10332.7, 0.003132/step Wall: 10332.7, 0.003132/step, 1.52163 hours remaining, 234.730469 MB of memory in use. ENERGY: 3251000 3909.3946 20520.8141 14422.6527 246.2040 -203510.8195 2686.9645 0.0000 0.0000 52214.5316 -109510.2581 300.0776 -161724.7897 -109150.4370 298.9258 -238.2551 -212.7959 763187.5504 -14.8564 -14.7488 PRESSURE: 3251200 -325.834 51.0581 -156 51.0583 -65.1884 -5.72673 -156.001 -5.72633 -9.81915 GPRESSURE: 3251200 -253.259 -65.1936 -207.832 99.765 -75.3335 -31.5871 -40.8926 88.0223 11.4595 PRESSAVG: 3251200 -20.0182 -39.6187 26.6927 -39.6188 -9.29813 0.889132 26.6926 0.889072 5.63767 GPRESSAVG: 3251200 -17.8631 -39.4049 27.7376 -40.259 -10.3266 -0.0582158 27.2916 0.539498 5.24362 TIMING: 3251200 CPU: 10333.4, 0.00312625/step Wall: 10333.4, 0.00312625/step, 1.51866 hours remaining, 234.730469 MB of memory in use. ENERGY: 3251200 3993.3612 20475.3231 14474.7935 253.3627 -203352.8433 2281.0786 0.0000 0.0000 52384.1922 -109490.7320 301.0527 -161874.9242 -109121.1642 298.9850 -133.6139 -105.7110 762321.9156 -7.8929 -7.6487 PRESSURE: 3251400 -299.322 27.9706 43.8874 27.9707 -323.271 80.5124 43.8877 80.5124 174.401 GPRESSURE: 3251400 -262.064 107.082 85.304 95.5117 -288.166 26.6069 68.5788 94.5455 181.074 PRESSAVG: 3251400 49.1571 -24.4732 -39.9352 -24.4731 -78.3418 41.4498 -39.9352 41.4498 -27.6399 GPRESSAVG: 3251400 48.7851 -25.4841 -40.2736 -22.6373 -78.7098 42.6887 -41.2265 43.9555 -27.2312 TIMING: 3251400 CPU: 10334, 0.00312964/step Wall: 10334, 0.00312964/step, 1.52013 hours remaining, 234.730469 MB of memory in use. ENERGY: 3251400 3946.5976 20666.2109 14372.1742 239.7942 -202693.0046 1995.8648 0.0000 0.0000 51988.8821 -109483.4808 298.7808 -161472.3629 -109118.8739 299.3360 -149.3973 -123.0520 761921.5410 -18.9415 -19.0520 PRESSURE: 3251600 -4.58014 69.517 -90.1773 69.5163 -95.735 176.328 -90.1769 176.328 -396.578 GPRESSURE: 3251600 31.4008 139.676 -70.5941 28.8468 -93.4058 150.278 -95.6898 165.96 -345.963 PRESSAVG: 3251600 -18.8584 -41.6889 -6.56898 -41.689 -36.6377 -4.48464 -6.56896 -4.48466 14.9072 GPRESSAVG: 3251600 -19.2255 -40.2514 -6.48587 -41.8216 -34.6287 -5.79965 -8.35727 -4.67305 14.1784 TIMING: 3251600 CPU: 10334.6, 0.00312907/step Wall: 10334.6, 0.00312907/step, 1.51968 hours remaining, 234.730469 MB of memory in use. ENERGY: 3251600 3944.3021 20486.9209 14454.0918 259.0179 -202765.1479 2183.9066 0.0000 0.0000 52174.7590 -109262.1495 299.8491 -161436.9086 -108899.8689 299.6581 -165.6311 -135.9895 761758.0006 -13.5297 -13.2253 PRESSURE: 3251800 166.143 -47.1029 -156.986 -47.1029 -274.636 -3.78171 -156.987 -3.78184 -153.222 GPRESSURE: 3251800 96.4171 -74.6274 -217.929 -79.2664 -171.328 30.2192 -124.998 2.27359 -108.603 PRESSAVG: 3251800 35.2509 -0.831572 -4.08408 -0.831591 -9.58204 27.0925 -4.08406 27.0923 -8.83459 GPRESSAVG: 3251800 36.1909 0.823526 -3.90188 -1.93285 -10.5408 29.0266 -1.16985 26.5546 -8.35217 TIMING: 3251800 CPU: 10335.2, 0.00314872/step Wall: 10335.2, 0.00314872/step, 1.52905 hours remaining, 234.730469 MB of memory in use. ENERGY: 3251800 4013.7062 20593.5421 14379.7987 260.5032 -203344.5126 2597.6790 0.0000 0.0000 52252.1310 -109247.1525 300.2937 -161499.2834 -108893.7565 299.7968 -87.2381 -61.1715 760922.4926 5.6114 5.7660 PRESSURE: 3252000 -64.6066 -131.502 149.858 -131.503 -274.957 -66.1854 149.858 -66.1852 -248.563 GPRESSURE: 3252000 -23.0607 -109.444 181.46 -148.95 -200.94 -28.1392 110.32 -24.7686 -286.21 PRESSAVG: 3252000 24.4565 -2.10475 -13.9423 -2.10473 -14.6226 -14.9418 -13.9422 -14.9418 18.1312 GPRESSAVG: 3252000 23.7074 -3.81097 -15.8905 -3.47952 -14.0955 -16.1615 -12.8655 -14.7133 17.826 TIMING: 3252000 CPU: 10335.9, 0.00315825/step Wall: 10335.9, 0.00315825/step, 1.5335 hours remaining, 234.730469 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: 3252000 3981.5888 20601.8360 14500.9678 256.6929 -203051.0563 2286.5576 0.0000 0.0000 52179.6372 -109243.7759 299.8771 -161423.4131 -108886.4828 299.4548 -196.0420 -170.0703 760817.6184 9.3217 9.1460 PRESSURE: 3252200 -177.543 13.1461 -45.8927 13.1465 -8.34779 17.6505 -45.8929 17.6499 14.6333 GPRESSURE: 3252200 -128.213 -21.6812 -87.6744 59.3996 32.2611 40.3811 -79.336 127.281 35.0248 PRESSAVG: 3252200 28.6831 -36.8428 -1.29839 -36.8428 -5.21003 -1.93311 -1.29839 -1.93311 -2.81524 GPRESSAVG: 3252200 28.4574 -35.9842 -0.52955 -34.4091 -4.37364 -1.67911 -0.923208 -1.5428 -3.32526 TIMING: 3252200 CPU: 10336.5, 0.00315257/step Wall: 10336.5, 0.00315256/step, 1.53057 hours remaining, 234.730469 MB of memory in use. ENERGY: 3252200 4020.3878 20507.9066 14442.5428 262.4392 -203443.0243 2560.3330 0.0000 0.0000 52223.7428 -109425.6722 300.1306 -161649.4150 -109071.9637 299.6718 -57.0859 -20.3091 761019.0403 6.8860 6.9195 LDB: ============= START OF LOAD BALANCING ============== 10348.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10348.9 LDB: =============== DONE WITH MIGRATION ================ 10348.9 LDB: ============= START OF LOAD BALANCING ============== 10349.2 LDB: Largest compute 7069 load 0.030455 is 15.6% of average load 0.195535 LDB: Average compute 0.004405 is 2.3% of average load 0.195535 LDB: TIME 10349.2 LOAD: AVG 0.195535 MAX 0.216874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 10349.2 LOAD: AVG 0.195535 MAX 0.216874 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 10349.2 LOAD: AVG 0.195535 MAX 0.216874 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 10349.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10349.3 PRESSURE: 3252400 -251.061 -60.9895 306.685 -60.9894 28.5752 122.958 306.685 122.959 35.164 GPRESSURE: 3252400 -192.271 -5.62772 272.56 -23.4873 93.267 163.28 273.931 101.008 -0.401058 PRESSAVG: 3252400 -2.96582 -26.568 6.12028 -26.5679 16.0345 -3.16158 6.12028 -3.16158 14.2644 GPRESSAVG: 3252400 -3.35247 -25.8302 6.04388 -27.1875 15.631 -2.98294 2.92501 -2.97793 14.7831 TIMING: 3252400 CPU: 10337.1, 0.00319881/step Wall: 10337.1, 0.00319881/step, 1.55285 hours remaining, 235.105469 MB of memory in use. ENERGY: 3252400 3914.9925 20369.3321 14432.4008 248.8694 -202825.7080 2177.7022 0.0000 0.0000 52114.0344 -109568.3766 299.5001 -161682.4110 -109197.7827 299.1075 -62.4406 -33.1351 760570.6418 9.1110 9.0205 PRESSURE: 3252600 -137.96 29.7487 -40.9996 29.7484 162.675 -174.597 -40.9987 -174.597 -254.134 GPRESSURE: 3252600 0.784445 68.4868 -162.232 76.1641 111.588 -70.6954 -47.4 -122.686 -242.159 PRESSAVG: 3252600 3.71749 -49.6066 -10.1961 -49.6066 47.1304 62.7405 -10.196 62.7406 -11.9677 GPRESSAVG: 3252600 3.48455 -51.6318 -10.1262 -49.2307 47.0966 63.2239 -7.73936 62.5622 -11.3489 TIMING: 3252600 CPU: 10337.8, 0.00311814/step Wall: 10337.8, 0.00311814/step, 1.51351 hours remaining, 235.230469 MB of memory in use. ENERGY: 3252600 3970.9330 20332.8345 14452.6011 261.6971 -203055.2720 2508.0425 0.0000 0.0000 52238.5003 -109290.6636 300.2154 -161529.1639 -108923.7773 299.3514 -76.4728 -43.2620 761228.4182 12.9601 13.0774 PRESSURE: 3252800 -341.33 85.6833 108.12 85.6828 -378.291 -44.1942 108.12 -44.1927 -6.3727 GPRESSURE: 3252800 -233.531 13.7485 127.779 53.3756 -416.765 30.313 110.225 -253.135 17.932 PRESSAVG: 3252800 -15.6533 -31.6218 17.9309 -31.6218 38.8963 -28.3141 17.931 -28.3141 -15.2705 GPRESSAVG: 3252800 -14.994 -30.5832 18.5824 -32.1979 38.0785 -28.7178 18.0711 -28.6775 -15.4479 TIMING: 3252800 CPU: 10338.4, 0.0031483/step Wall: 10338.4, 0.0031483/step, 1.52798 hours remaining, 235.230469 MB of memory in use. ENERGY: 3252800 3994.4566 20349.4303 14356.2886 237.8648 -202929.6173 2310.6787 0.0000 0.0000 52151.4059 -109529.4924 299.7148 -161680.8982 -109168.9249 299.0408 -241.9980 -210.7880 760453.2750 2.6575 2.5455 PRESSURE: 3253000 17.1555 -132.738 -145.603 -132.738 -64.4526 -71.0427 -145.603 -71.0427 -8.92211 GPRESSURE: 3253000 42.5392 -101.945 -141.027 -161.1 -1.01486 -88.6377 -245.695 -19.047 -17.9904 PRESSAVG: 3253000 73.2447 -37.7949 11.9374 -37.7949 -51.4865 -29.7577 11.9374 -29.7577 12.0075 GPRESSAVG: 3253000 73.3155 -36.2855 10.9877 -37.5128 -50.6309 -27.8464 10.9995 -30.9434 11.4873 TIMING: 3253000 CPU: 10339, 0.00315149/step Wall: 10339, 0.00315149/step, 1.52935 hours remaining, 235.367188 MB of memory in use. ENERGY: 3253000 3922.7210 20612.2892 14419.6196 243.8778 -203511.6417 2713.0108 0.0000 0.0000 52047.3327 -109552.7906 299.1167 -161600.1233 -109190.9856 299.4059 -18.7397 7.8447 760088.5474 11.2552 11.3906 PRESSURE: 3253200 -175.379 -113.017 -144.01 -113.016 -258.784 25.427 -144.01 25.4275 -93.7874 GPRESSURE: 3253200 -157.032 -107.186 -214.925 -111.309 -210.613 45.4671 -61.8365 64.5836 -80.4054 PRESSAVG: 3253200 26.3639 -44.0396 27.0251 -44.0395 6.92096 -28.4762 27.0252 -28.4762 14.9578 GPRESSAVG: 3253200 24.3843 -45.4615 27.713 -43.5121 8.28779 -29.3657 27.3381 -28.4329 15.0278 TIMING: 3253200 CPU: 10339.7, 0.00314037/step Wall: 10339.7, 0.00314037/step, 1.52378 hours remaining, 235.367188 MB of memory in use. ENERGY: 3253200 3990.8855 20570.2195 14443.5176 244.0003 -203537.9880 2526.7819 0.0000 0.0000 52014.5517 -109748.0315 298.9283 -161762.5832 -109378.9785 299.0675 -175.9837 -149.3500 760116.1151 16.0809 15.9000 PRESSURE: 3253400 -334.305 -152.092 -26.5582 -152.093 -76.1365 -153.123 -26.558 -153.124 0.949056 GPRESSURE: 3253400 -122.742 -230.952 -12.5612 -122.08 -168.395 -66.983 -50.3497 -63.8614 -33.8727 PRESSAVG: 3253400 33.9012 -71.5321 24.2969 -71.5322 -25.5087 -23.2837 24.297 -23.2837 -1.30167 GPRESSAVG: 3253400 34.7206 -70.5878 23.2089 -71.5217 -26.538 -22.0524 22.7459 -22.7599 -1.27012 TIMING: 3253400 CPU: 10340.3, 0.00314124/step Wall: 10340.3, 0.00314124/step, 1.52402 hours remaining, 235.367188 MB of memory in use. ENERGY: 3253400 3990.4976 20544.8156 14426.5809 219.1329 -203280.7331 2523.3105 0.0000 0.0000 51927.7338 -109648.6617 298.4294 -161576.3955 -109289.2987 299.0251 -136.4976 -108.3366 759931.5884 2.3636 2.3041 PRESSURE: 3253600 253.499 -70.6695 52.9354 -70.6697 -9.20105 113.548 52.9349 113.548 -249.679 GPRESSURE: 3253600 233.55 -96.9163 28.0877 -35.3933 46.7079 7.21985 36.2712 181.894 -183.784 PRESSAVG: 3253600 77.3018 -91.1078 8.52292 -91.1078 -18.3527 -22.7098 8.52296 -22.7098 8.12441 GPRESSAVG: 3253600 77.5125 -89.9397 10.215 -93.0396 -17.998 -23.3217 8.57407 -22.514 8.02776 TIMING: 3253600 CPU: 10340.9, 0.00313446/step Wall: 10340.9, 0.00313446/step, 1.52056 hours remaining, 235.367188 MB of memory in use. ENERGY: 3253600 4015.1416 20466.7530 14455.4053 234.9899 -203381.2994 2536.6868 0.0000 0.0000 51956.6921 -109715.6305 298.5958 -161672.3227 -109358.1348 298.9084 -1.7936 32.1580 759059.4350 22.3578 22.5141 PRESSURE: 3253800 97.8207 -323.113 -36.9998 -323.113 -133.192 19.6455 -36.9994 19.6461 -106.993 GPRESSURE: 3253800 131.109 -338.742 -34.9851 -312.095 -178.197 10.1708 1.76479 21.6842 -7.84833 PRESSAVG: 3253800 -19.1717 -82.0284 29.7711 -82.0284 23.5138 0.280025 29.7711 0.28004 4.54356 GPRESSAVG: 3253800 -18.9758 -83.1523 31.0502 -81.0595 22.2368 1.25815 29.254 -0.483683 5.31485 TIMING: 3253800 CPU: 10341.5, 0.00313741/step Wall: 10341.5, 0.00313741/step, 1.52182 hours remaining, 235.367188 MB of memory in use. ENERGY: 3253800 3992.8828 20590.0971 14410.9475 238.8925 -203374.5177 2546.1891 0.0000 0.0000 51882.0218 -109713.4869 298.1667 -161595.5087 -109355.3292 298.7672 -47.4547 -18.3122 759655.8739 2.9619 2.8586 PRESSURE: 3254000 85.0509 -61.9012 -118.194 -61.8994 -169.585 -4.08106 -118.193 -4.08012 -14.4161 GPRESSURE: 3254000 130.082 -154.555 -143.574 -78.8572 -90.8856 95.5177 26.9172 4.31406 -49.4348 PRESSAVG: 3254000 73.6144 -54.6539 -5.47423 -54.6539 -11.6212 7.14121 -5.47422 7.14121 23.781 GPRESSAVG: 3254000 74.6568 -53.2716 -6.41708 -55.707 -11.3397 5.72921 -2.89081 7.12853 22.3417 TIMING: 3254000 CPU: 10342.2, 0.003146/step Wall: 10342.2, 0.003146/step, 1.52581 hours remaining, 235.367188 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: 3254000 4006.7503 20480.1210 14425.0939 237.7708 -203223.5949 2342.9268 0.0000 0.0000 52197.2787 -109533.6534 299.9785 -161730.9321 -109156.9286 298.8001 -32.9834 -3.4127 759502.0814 28.5914 28.5530 PRESSURE: 3254200 265.924 -21.1361 -217.498 -21.1356 32.535 -70.3495 -217.497 -70.3502 -193.642 GPRESSURE: 3254200 138.427 132.61 -195.86 -206.577 157.384 -57.8511 -102.443 91.9227 -106.643 PRESSAVG: 3254200 82.6713 -43.6933 18.2375 -43.6933 -75.2771 7.05289 18.2376 7.05287 15.3808 GPRESSAVG: 3254200 82.6301 -45.4384 18.0648 -42.3503 -74.5343 7.6526 17.9435 6.854 14.5927 TIMING: 3254200 CPU: 10342.8, 0.00313405/step Wall: 10342.8, 0.00313405/step, 1.51984 hours remaining, 235.367188 MB of memory in use. ENERGY: 3254200 4038.4991 20481.0948 14423.6269 244.5029 -203018.8769 2276.2550 0.0000 0.0000 51903.5756 -109651.3227 298.2906 -161554.8982 -109280.2679 299.1239 34.9392 63.0558 761361.5504 7.5916 7.5629 PRESSURE: 3254400 128.6 267.223 115.898 267.224 -143.712 -63.7741 115.898 -63.7749 123.143 GPRESSURE: 3254400 186.494 151 13.2196 130.47 -90.8497 -100.043 41.9734 -95.7693 102.083 PRESSAVG: 3254400 71.5162 -52.5212 10.124 -52.5212 -85.3905 36.0424 10.124 36.0424 -27.1033 GPRESSAVG: 3254400 70.2986 -52.4431 10.2218 -54.1934 -85.1434 35.1128 6.56812 37.9805 -25.4939 TIMING: 3254400 CPU: 10343.4, 0.00314008/step Wall: 10343.4, 0.00314008/step, 1.52259 hours remaining, 235.367188 MB of memory in use. ENERGY: 3254400 3933.8526 20641.7942 14473.6595 248.0347 -203302.3716 2578.8550 0.0000 0.0000 51694.7286 -109731.4470 297.0903 -161426.1756 -109379.9194 298.7097 36.0101 65.9093 760263.9947 -13.6592 -13.4462 PRESSURE: 3254600 -224.098 -45.0741 -219.126 -45.0737 -274.358 27.1212 -219.126 27.1217 -357.121 GPRESSURE: 3254600 -163.591 32.4703 -238.43 -14.1825 -281.985 46.5186 -114.932 178.742 -305.99 PRESSAVG: 3254600 58.6024 -3.00174 -25.3296 -3.00173 -37.1482 -37.1194 -25.3296 -37.1194 -1.19131 GPRESSAVG: 3254600 58.7043 -2.89455 -26.7465 -3.05092 -37.6832 -36.3899 -22.6126 -36.3251 -1.34505 TIMING: 3254600 CPU: 10344.1, 0.00314598/step Wall: 10344.1, 0.00314598/step, 1.52527 hours remaining, 235.367188 MB of memory in use. ENERGY: 3254600 4062.5980 20446.3181 14489.6095 252.9011 -202883.6875 2172.7855 0.0000 0.0000 51777.3441 -109682.1312 297.5651 -161459.4753 -109317.0619 298.7470 -285.1925 -250.5220 761788.5438 6.7543 6.5587 PRESSURE: 3254800 -23.835 98.904 -20.3452 98.9029 -368.069 44.8413 -20.3449 44.8421 139.072 GPRESSURE: 3254800 53.019 123.04 -34.9299 68.7298 -388.273 -27.7981 74.4461 62.8293 174.852 PRESSAVG: 3254800 47.9912 -38.2981 -28.0854 -38.2981 -27.3181 -2.96058 -28.0855 -2.96047 -20.0217 GPRESSAVG: 3254800 49.7419 -40.0177 -26.8336 -37.0261 -27.5421 -2.87313 -28.5679 -4.69645 -20.6202 TIMING: 3254800 CPU: 10344.7, 0.00313211/step Wall: 10344.7, 0.00313211/step, 1.51838 hours remaining, 235.367188 MB of memory in use. ENERGY: 3254800 3918.6270 20339.3903 14551.2746 260.2640 -202984.0989 2246.8080 0.0000 0.0000 51860.6714 -109807.0635 298.0440 -161667.7349 -109446.8308 298.4900 -84.2774 -53.4673 761209.6662 0.2171 0.5266 PRESSURE: 3255000 -186.386 113.811 -86.2599 113.812 -221.2 -141.359 -86.2602 -141.359 -481.777 GPRESSURE: 3255000 -102.114 69.3229 -85.6046 4.74978 -190.512 -182.636 -171.931 -59.2337 -484.403 PRESSAVG: 3255000 57.5981 13.9294 23.4136 13.9294 -66.5999 -35.2759 23.4136 -35.2759 -15.8288 GPRESSAVG: 3255000 57.2121 15.5529 23.7853 12.3391 -66.6231 -35.1577 22.2495 -34.0695 -15.2719 TIMING: 3255000 CPU: 10345.3, 0.00313522/step Wall: 10345.3, 0.00313522/step, 1.51971 hours remaining, 235.367188 MB of memory in use. ENERGY: 3255000 4000.9779 20549.4000 14488.9366 253.3947 -203402.4109 2489.5673 0.0000 0.0000 51913.6324 -109706.5021 298.3484 -161620.1345 -109352.4041 298.1485 -296.4544 -259.0094 761742.8075 -8.2769 -8.2276 PRESSURE: 3255200 52.1208 -38.4481 171.672 -38.4483 -17.1345 33.302 171.671 33.3014 -56.8568 GPRESSURE: 3255200 123.196 -32.0767 99.9992 3.48113 20.0383 10.7165 120.928 0.574396 -61.1713 PRESSAVG: 3255200 49.2936 -39.7111 10.126 -39.7111 -10.3591 -15.4795 10.126 -15.4795 0.302699 GPRESSAVG: 3255200 48.5048 -40.6965 8.41217 -38.6204 -9.66017 -16.119 10.6599 -15.664 0.569886 TIMING: 3255200 CPU: 10345.9, 0.0031234/step Wall: 10345.9, 0.0031234/step, 1.51381 hours remaining, 235.367188 MB of memory in use. ENERGY: 3255200 4044.2018 20423.7450 14399.4797 218.1012 -203368.1003 2449.3078 0.0000 0.0000 52124.9495 -109708.3152 299.5628 -161833.2647 -109350.6977 298.9153 -7.2902 27.3543 759866.9585 13.0791 13.1382 PRESSURE: 3255400 224.937 92.4146 -153.736 92.415 205.817 -165.576 -153.736 -165.576 63.4057 GPRESSURE: 3255400 274.293 13.0043 -180.748 131.615 229.879 -214.057 -41.0669 -173.539 63.8887 PRESSAVG: 3255400 17.1445 41.354 62.0232 41.354 -26.4233 -39.3676 62.0232 -39.3675 23.3206 GPRESSAVG: 3255400 18.8776 42.2039 63.2077 43.2 -27.7548 -40.3704 62.8727 -39.4683 22.7183 TIMING: 3255400 CPU: 10346.6, 0.00311672/step Wall: 10346.6, 0.00311672/step, 1.5104 hours remaining, 235.367188 MB of memory in use. ENERGY: 3255400 3975.9387 20507.1110 14468.9535 268.2840 -203395.5452 2524.9345 0.0000 0.0000 52106.1793 -109544.1442 299.4549 -161650.3235 -109186.0391 298.7440 164.7196 189.3538 759820.3838 4.6806 4.6137 PRESSURE: 3255600 -127.349 39.5611 72.6695 39.5615 433.083 -53.1781 72.6695 -53.177 -308.445 GPRESSURE: 3255600 -156.543 53.0105 93.2672 -78.6496 476.423 14.1181 -117.151 21.9181 -234.973 PRESSAVG: 3255600 -16.2754 7.52231 21.4136 7.52227 8.82712 -50.7185 21.4136 -50.7185 2.49048 GPRESSAVG: 3255600 -18.3877 7.1425 21.2957 7.80249 10.062 -49.5392 20.9378 -50.912 3.62828 TIMING: 3255600 CPU: 10347.2, 0.00311195/step Wall: 10347.2, 0.00311195/step, 1.50791 hours remaining, 235.367188 MB of memory in use. ENERGY: 3255600 3949.6372 20601.5630 14469.8283 272.1344 -203337.0243 2257.8518 0.0000 0.0000 52012.6619 -109773.3478 298.9175 -161786.0097 -109411.5379 299.0319 -0.9037 28.3023 758609.9818 -1.6526 -1.5658 PRESSURE: 3255800 64.7749 -169.496 -50.3029 -169.496 303.454 -87.1773 -50.3019 -87.1772 582.073 GPRESSURE: 3255800 148.681 -41.7279 -114.418 -195.349 286.408 -90.2859 -82.5231 -73.6777 602.213 PRESSAVG: 3255800 -14.3241 -38.7221 -30.0253 -38.722 0.464117 -58.9612 -30.0253 -58.9612 -4.7942 GPRESSAVG: 3255800 -13.3859 -40.6652 -30.6843 -39.4793 -0.532793 -60.7477 -30.8567 -58.3158 -4.60472 TIMING: 3255800 CPU: 10347.8, 0.00313085/step Wall: 10347.8, 0.00313085/step, 1.5169 hours remaining, 235.367188 MB of memory in use. ENERGY: 3255800 3894.5468 20474.6213 14407.2636 250.8610 -203300.6651 2550.4340 0.0000 0.0000 51783.7193 -109939.2191 297.6017 -161722.9384 -109579.9932 298.7060 316.7675 345.7674 760989.6895 -6.2181 -6.1745 PRESSURE: 3256000 415.171 -216.565 1.73955 -216.563 171.922 -95.9663 1.73857 -95.9665 293.184 GPRESSURE: 3256000 326.014 -97.6166 30.1579 -225.728 328.928 -0.0066516 17.3143 60.2661 318.166 PRESSAVG: 3256000 -22.7726 -6.23016 -18.98 -6.23018 38.7396 19.9113 -18.98 19.9114 5.52313 GPRESSAVG: 3256000 -23.5407 -2.11387 -16.8117 -7.88253 39.5001 22.7789 -16.7313 20.2171 5.17918 TIMING: 3256000 CPU: 10348.4, 0.00313085/step Wall: 10348.4, 0.00313085/step, 1.51672 hours remaining, 235.367188 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: 3256000 3926.0729 20621.3850 14387.0441 262.6238 -203926.0054 2999.7826 0.0000 0.0000 51878.8392 -109850.2579 298.1484 -161729.0970 -109496.3068 298.0642 293.4257 324.3693 760555.7878 7.1634 7.0462 PRESSURE: 3256200 162.174 -130.123 -75.3205 -130.122 123.387 7.22531 -75.3204 7.22521 253.072 GPRESSURE: 3256200 229.887 -140.662 -107.877 -299.284 174.075 -44.2815 26.7989 32.1325 216.68 PRESSAVG: 3256200 15.2813 5.19915 6.45081 5.19904 -72.5859 9.52389 6.45082 9.52388 20.7356 GPRESSAVG: 3256200 15.4355 2.31673 7.0679 5.81484 -72.1676 7.74047 6.36784 9.29551 20.313 TIMING: 3256200 CPU: 10349.1, 0.00313663/step Wall: 10349.1, 0.00313663/step, 1.51935 hours remaining, 235.367188 MB of memory in use. ENERGY: 3256200 3999.6860 20558.3551 14429.7962 232.1626 -203316.9641 2632.6557 0.0000 0.0000 51823.0831 -109641.2254 297.8280 -161464.3085 -109272.0243 298.7363 179.5441 206.8809 761014.1022 -12.1897 -12.1397 LDB: ============= START OF LOAD BALANCING ============== 10361.5 LDB: ============== END OF LOAD BALANCING =============== 10361.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10361.5 LDB: ============= START OF LOAD BALANCING ============== 10361.8 LDB: Largest compute 7069 load 0.030121 is 15.4% of average load 0.195488 LDB: Average compute 0.004378 is 2.2% of average load 0.195488 LDB: TIME 10361.8 LOAD: AVG 0.195488 MAX 0.215097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.684 MB LDB: TIME 10361.8 LOAD: AVG 0.195488 MAX 0.215097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: TIME 10361.8 LOAD: AVG 0.195488 MAX 0.215097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: ============== END OF LOAD BALANCING =============== 10361.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10361.8 PRESSURE: 3256400 -3.58107 202.829 131.93 202.828 -313.44 -168.021 131.93 -168.022 -208.039 GPRESSURE: 3256400 35.0699 195.996 139.578 87.4985 -249.19 -85.2476 42.3808 -217.256 -199.521 PRESSAVG: 3256400 16.8489 -37.4293 -1.12812 -37.4294 -1.34938 10.2954 -1.12814 10.2954 25.1243 GPRESSAVG: 3256400 17.0359 -37.1065 -3.84213 -35.5438 -0.731056 10.7894 -1.01668 11.1697 24.9043 TIMING: 3256400 CPU: 10349.7, 0.00319781/step Wall: 10349.7, 0.00319781/step, 1.5488 hours remaining, 233.367188 MB of memory in use. ENERGY: 3256400 3939.5478 20519.8901 14407.7848 251.5756 -203275.6944 2390.6416 0.0000 0.0000 52070.9999 -109695.2546 299.2528 -161766.2545 -109326.5719 298.9277 -175.0199 -137.8801 761358.1402 13.5413 13.7364 PRESSURE: 3256600 201.28 -37.9505 98.3851 -37.9507 -243.099 330.148 98.3862 330.148 18.5616 GPRESSURE: 3256600 268.555 2.98762 117.722 -46.1936 -206.403 260.792 48.2472 415.205 7.55479 PRESSAVG: 3256600 48.1319 14.2073 13.1698 14.2073 -82.058 37.0528 13.1698 37.0529 -7.46654 GPRESSAVG: 3256600 47.8906 16.2526 13.3079 14.08 -82.8193 35.755 12.9442 37.106 -6.76971 TIMING: 3256600 CPU: 10350.3, 0.00314577/step Wall: 10350.3, 0.00314577/step, 1.52343 hours remaining, 233.570312 MB of memory in use. ENERGY: 3256600 3981.1731 20507.6087 14412.8416 256.1037 -202836.8787 2271.4216 0.0000 0.0000 51719.9073 -109687.8227 297.2350 -161407.7300 -109329.2645 298.2327 -7.7528 23.2356 760005.1925 -13.7975 -13.8995 PRESSURE: 3256800 189.116 -160.603 151.231 -160.603 250.114 -55.3623 151.231 -55.3621 78.0192 GPRESSURE: 3256800 290.852 -121.286 116.115 -201.436 256.262 -27.3581 68.7711 -36.3737 72.3837 PRESSAVG: 3256800 60.6929 -12.2874 12.8284 -12.2875 -34.6897 -10.5925 12.8283 -10.5925 6.44373 GPRESSAVG: 3256800 61.2985 -14.4787 12.7272 -9.98629 -35.1819 -9.76246 12.3205 -11.3301 6.59931 TIMING: 3256800 CPU: 10351, 0.00314422/step Wall: 10351, 0.00314422/step, 1.5225 hours remaining, 233.570312 MB of memory in use. ENERGY: 3256800 3899.9985 20468.5513 14452.0690 255.5722 -203436.6160 2749.4994 0.0000 0.0000 52060.7144 -109550.2112 299.1936 -161610.9256 -109189.8277 298.3720 172.4164 206.4993 760138.8005 10.8156 10.9053 PRESSURE: 3257000 258.718 100.615 -41.4579 100.616 29.0483 -89.0453 -41.4583 -89.0444 438.267 GPRESSURE: 3257000 221.812 44.9023 -12.2042 61.9938 97.0212 -125.039 -5.2083 -50.8281 479.522 PRESSAVG: 3257000 38.7417 -47.5188 25.9181 -47.5188 -11.0945 -30.7891 25.918 -30.7892 35.7651 GPRESSAVG: 3257000 38.5622 -47.9201 27.2441 -48.436 -11.7885 -32.7891 25.5511 -29.7919 35.9858 TIMING: 3257000 CPU: 10351.6, 0.00312572/step Wall: 10351.6, 0.00312572/step, 1.51337 hours remaining, 233.570312 MB of memory in use. ENERGY: 3257000 3936.0359 20665.8492 14477.5708 249.3156 -203503.1362 2574.9285 0.0000 0.0000 52078.1065 -109521.3298 299.2936 -161599.4363 -109161.9966 299.2808 242.0111 266.1184 759571.3619 21.1374 20.9198 PRESSURE: 3257200 49.5132 43.5067 -24.9483 43.5066 -22.0992 -231.156 -24.9485 -231.156 122.977 GPRESSURE: 3257200 144.651 47.7098 3.89727 69.6857 -42.4467 -224.509 -79.5268 -138.746 147.601 PRESSAVG: 3257200 12.7475 -20.4137 33.8135 -20.4136 -15.8734 -12.2723 33.8135 -12.2723 24.8339 GPRESSAVG: 3257200 13.0159 -19.2364 33.2914 -21.3596 -16.1641 -9.18802 32.7507 -16.524 25.0773 TIMING: 3257200 CPU: 10352.2, 0.00314057/step Wall: 10352.2, 0.00314057/step, 1.52039 hours remaining, 233.570312 MB of memory in use. ENERGY: 3257200 4056.5027 20548.6040 14430.1379 263.4588 -203144.7019 2557.1840 0.0000 0.0000 51925.7709 -109363.0436 298.4181 -161288.8145 -109000.2405 299.5263 50.1304 83.2685 760061.6707 7.2360 7.3097 PRESSURE: 3257400 -386.065 229.519 -193.769 229.518 -547.375 -246.135 -193.769 -246.135 -179.535 GPRESSURE: 3257400 -335.486 287.773 -138.417 197.932 -473.909 -245.9 -117.397 -155.04 -246.737 PRESSAVG: 3257400 0.632548 -20.4879 47.4705 -20.4879 6.76809 -18.4141 47.4705 -18.4141 -16.5384 GPRESSAVG: 3257400 1.28587 -20.3996 46.7478 -19.0065 7.33948 -20.0742 48.472 -16.1863 -18.335 TIMING: 3257400 CPU: 10352.8, 0.00314877/step Wall: 10352.8, 0.00314877/step, 1.52418 hours remaining, 233.570312 MB of memory in use. ENERGY: 3257400 3991.9354 20575.7839 14378.1328 261.6090 -202401.6381 1763.9405 0.0000 0.0000 52159.4768 -109270.7596 299.7612 -161430.2364 -108905.4834 299.8575 -370.9914 -352.0438 761245.9347 -3.0459 -3.2365 PRESSURE: 3257600 -77.1433 0.331277 165.187 0.330732 -124.458 -106.12 165.187 -106.121 126.233 GPRESSURE: 3257600 3.76365 -13.8048 86.0464 185.594 -163.87 -264.499 209.425 10.0416 171.461 PRESSAVG: 3257600 58.5935 -12.9836 47.8896 -12.9836 -47.8216 -14.8304 47.8896 -14.8304 18.5361 GPRESSAVG: 3257600 57.9629 -12.6427 48.1801 -13.3197 -48.339 -14.9484 48.3932 -13.0993 19.7285 TIMING: 3257600 CPU: 10353.5, 0.00314672/step Wall: 10353.5, 0.00314672/step, 1.52301 hours remaining, 233.570312 MB of memory in use. ENERGY: 3257600 3879.7672 20595.0036 14508.8985 243.1809 -203054.0420 2369.5088 0.0000 0.0000 52099.1795 -109358.5035 299.4147 -161457.6830 -108994.0453 299.3690 -25.1226 3.7850 759716.7581 9.7693 9.7842 PRESSURE: 3257800 137.456 112.29 -143.217 112.29 -345.25 84.918 -143.218 84.9175 77.1331 GPRESSURE: 3257800 165.963 -66.3999 -174.233 46.206 -327.313 68.2187 -165.639 25.8318 116.974 PRESSAVG: 3257800 40.8423 -42.1191 11.9559 -42.1191 -38.9729 -19.4915 11.9559 -19.4915 -14.8214 GPRESSAVG: 3257800 39.4111 -41.1177 12.4974 -43.9062 -38.1294 -18.3233 10.1192 -21.2077 -14.4089 TIMING: 3257800 CPU: 10354.1, 0.00315653/step Wall: 10354.1, 0.00315653/step, 1.52759 hours remaining, 233.570312 MB of memory in use. ENERGY: 3257800 3952.4450 20473.4822 14427.6067 244.0142 -202985.8883 2220.0986 0.0000 0.0000 52202.9221 -109465.3195 300.0109 -161668.2416 -109102.4018 299.4829 -43.5534 -14.7920 759861.6919 -4.3173 -4.3757 PRESSURE: 3258000 71.7532 10.8885 89.0992 10.8885 -203.986 69.4854 89.098 69.486 118.397 GPRESSURE: 3258000 4.25452 -13.495 98.8493 14.3359 -116.485 -21.6766 -83.1927 -12.4155 177.535 PRESSAVG: 3258000 45.9171 0.982153 -8.57079 0.982171 -8.62749 -19.7934 -8.57076 -19.7934 1.32342 GPRESSAVG: 3258000 46.4651 0.625563 -8.35845 -1.03837 -9.02362 -17.9349 -5.06579 -20.6846 1.15612 TIMING: 3258000 CPU: 10354.7, 0.00314639/step Wall: 10354.7, 0.00314639/step, 1.5225 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3258000 3967.4637 20239.2255 14413.0161 248.3164 -202848.9355 2237.3231 0.0000 0.0000 52283.9395 -109459.6511 300.4765 -161743.5907 -109081.5456 299.4876 -4.6120 21.7683 759872.4395 12.8710 12.8659 PRESSURE: 3258200 -93.7988 -219.677 -72.3609 -219.677 36.6614 -247.922 -72.3607 -247.923 328.873 GPRESSURE: 3258200 -93.249 -246.912 -61.1588 -250.176 63.3184 -167.466 73.1999 -115.088 363.725 PRESSAVG: 3258200 48.6133 -25.267 1.26564 -25.2669 -82.5881 -15.7711 1.26569 -15.7711 -1.26854 GPRESSAVG: 3258200 49.2708 -25.4363 0.453533 -22.7502 -82.1181 -16.9158 -0.809016 -14.2704 -2.30681 TIMING: 3258200 CPU: 10355.4, 0.00313818/step Wall: 10355.4, 0.00313819/step, 1.51836 hours remaining, 233.570312 MB of memory in use. ENERGY: 3258200 3952.7669 20564.0952 14437.7728 252.3930 -203269.2091 2516.8529 0.0000 0.0000 52079.6302 -109465.6981 299.3024 -161545.3283 -109103.0008 299.0762 90.5786 111.2649 760173.2556 -11.7478 -11.7180 PRESSURE: 3258400 348.281 -39.571 108.93 -39.5711 -148.686 -202.587 108.93 -202.588 496.639 GPRESSURE: 3258400 373.99 24.2219 145.306 93.0393 -137.633 -219.713 75.3421 -198.114 534.413 PRESSAVG: 3258400 44.2287 -35.9784 32.9231 -35.9784 -41.4539 -112.341 32.9231 -112.341 -18.6518 GPRESSAVG: 3258400 44.4313 -35.5122 32.1298 -36.147 -42.8741 -110.635 35.445 -112.187 -17.9008 TIMING: 3258400 CPU: 10356, 0.00314745/step Wall: 10356, 0.00314745/step, 1.52267 hours remaining, 233.570312 MB of memory in use. ENERGY: 3258400 3924.4985 20354.3959 14484.7030 235.5581 -203320.3150 2795.3451 0.0000 0.0000 51868.0261 -109657.7883 298.0863 -161525.8144 -109289.7467 298.9984 232.0780 256.9233 761186.6081 -5.2923 -5.4479 PRESSURE: 3258600 -209.031 1.62651 1.64013 1.62621 -96.819 12.7356 1.63918 12.7357 -231.439 GPRESSURE: 3258600 -160.707 50.5319 3.33014 57.8698 -108.816 116.134 96.0207 -43.0985 -203.993 PRESSAVG: 3258600 37.5374 10.3973 2.66615 10.3972 -61.6827 -13.8254 2.6661 -13.8254 -9.94427 GPRESSAVG: 3258600 36.4945 11.5629 3.33276 9.46455 -61.5339 -14.0982 -1.94026 -16.092 -9.24877 TIMING: 3258600 CPU: 10356.6, 0.00314385/step Wall: 10356.6, 0.00314385/step, 1.52075 hours remaining, 233.570312 MB of memory in use. ENERGY: 3258600 4019.7962 20571.9324 14515.4726 244.1022 -203591.7900 2673.0153 0.0000 0.0000 51984.2543 -109583.2169 298.7542 -161567.4713 -109224.1870 299.3503 -179.0961 -157.8387 763056.4651 -11.3632 -11.4294 PRESSURE: 3258800 -31.6384 50.6261 -210.076 50.6261 -327.678 -107.698 -210.075 -107.697 171.87 GPRESSURE: 3258800 -13.9031 73.4703 -203.459 -40.8714 -252.346 -86.2118 -221.676 -25.7458 176.229 PRESSAVG: 3258800 28.3891 8.84673 31.1816 8.84668 -12.5326 0.222594 31.1816 0.222624 20.2312 GPRESSAVG: 3258800 27.976 8.18504 31.2173 9.03377 -11.932 -2.53539 34.4029 1.9126 20.1328 TIMING: 3258800 CPU: 10357.2, 0.00313242/step Wall: 10357.2, 0.00313242/step, 1.51505 hours remaining, 233.570312 MB of memory in use. ENERGY: 3258800 3930.9494 20457.2294 14513.5648 253.1929 -203498.5864 2371.4055 0.0000 0.0000 52271.8730 -109700.3713 300.4072 -161972.2443 -109343.1416 299.0662 -62.4820 -30.0068 760033.8994 12.0292 12.0589 PRESSURE: 3259000 108.348 87.4114 -65.9556 87.411 455.851 -56.6428 -65.9563 -56.6431 75.456 GPRESSURE: 3259000 224.638 177.372 -149.59 63.3115 391.835 -89.7547 -112.816 133.889 122.199 PRESSAVG: 3259000 59.8012 -17.1097 -20.9453 -17.1097 4.55735 5.7614 -20.9453 5.76145 16.5978 GPRESSAVG: 3259000 59.925 -17.3895 -21.8181 -17.4273 4.74547 7.61104 -23.0272 5.93445 16.7355 TIMING: 3259000 CPU: 10357.9, 0.00313517/step Wall: 10357.9, 0.00313517/step, 1.5162 hours remaining, 233.570312 MB of memory in use. ENERGY: 3259000 3971.4543 20393.2989 14477.6528 245.3949 -203617.5239 2863.8230 0.0000 0.0000 52005.5224 -109660.3777 298.8765 -161665.9001 -109301.6974 299.4582 213.2183 246.2238 761496.5391 26.9854 27.1354 PRESSURE: 3259200 -677.297 61.8349 -178.281 61.8352 -275.162 -25.7597 -178.28 -25.7605 -192.844 GPRESSURE: 3259200 -596.078 -77.7542 -137.207 32.6183 -207.712 12.5547 -172.698 -47.7924 -240.494 PRESSAVG: 3259200 26.461 -19.4247 -8.99384 -19.4247 -22.036 17.3103 -8.99386 17.3103 -20.0719 GPRESSAVG: 3259200 27.3092 -20.9647 -8.26036 -17.762 -22.353 17.9399 -8.5091 16.3952 -21.1807 TIMING: 3259200 CPU: 10358.5, 0.00313613/step Wall: 10358.5, 0.00313613/step, 1.51649 hours remaining, 233.570312 MB of memory in use. ENERGY: 3259200 3987.8326 20400.5997 14490.7571 243.6810 -203215.3022 2353.2165 0.0000 0.0000 51908.0180 -109831.1973 298.3161 -161739.2153 -109474.0649 298.8187 -381.7676 -348.0944 763155.4677 -5.2157 -5.4082 PRESSURE: 3259400 -23.98 -93.6476 125.228 -93.6468 -239.801 50.1831 125.228 50.1834 -425.325 GPRESSURE: 3259400 -5.78872 -23.5922 84.0861 -52.421 -205.715 19.5069 30.7318 206.281 -367.35 PRESSAVG: 3259400 -55.3038 -21.0115 2.74806 -21.0115 26.8486 25.1588 2.74808 25.1588 12.465 GPRESSAVG: 3259400 -56.1268 -20.1587 2.84155 -21.3942 27.0253 24.829 1.4354 27.4042 13.1987 TIMING: 3259400 CPU: 10359.1, 0.00314487/step Wall: 10359.1, 0.00314487/step, 1.52054 hours remaining, 233.570312 MB of memory in use. ENERGY: 3259400 3942.0911 20411.6908 14489.1074 236.9292 -203358.0942 2518.2674 0.0000 0.0000 52061.7319 -109698.2764 299.1995 -161760.0083 -109341.6079 299.0809 -229.7021 -192.9513 761453.3758 -5.3301 -5.3009 PRESSURE: 3259600 -271.561 -158.573 -128.573 -158.573 -184.597 -91.2571 -128.574 -91.2573 -82.0937 GPRESSURE: 3259600 -243.6 -126.251 -194.791 -100.417 -99.3933 -106.147 -223.991 -33.26 -74.2484 PRESSAVG: 3259600 24.2019 -80.8557 -19.7375 -80.8558 -13.1608 8.70088 -19.7375 8.70098 -10.259 GPRESSAVG: 3259600 25.1597 -79.5556 -19.3974 -81.3767 -13.504 8.05302 -20.6108 9.3444 -10.4528 TIMING: 3259600 CPU: 10359.7, 0.00313882/step Wall: 10359.7, 0.00313882/step, 1.51745 hours remaining, 233.570312 MB of memory in use. ENERGY: 3259600 3972.1206 20366.0119 14480.1847 255.1929 -203099.4586 2473.6785 0.0000 0.0000 52097.4332 -109454.8368 299.4047 -161552.2700 -109096.5348 299.3145 -179.4173 -139.0807 762554.2663 0.2607 0.4010 PRESSURE: 3259800 81.0376 -123.529 116.189 -123.53 -33.6046 -34.5465 116.19 -34.5463 -67.6972 GPRESSURE: 3259800 123.945 -244.623 163.809 -208.831 -23.1797 24.1992 65.6124 55.8894 -50.992 PRESSAVG: 3259800 55.6961 -15.2307 6.80317 -15.2307 -10.9873 -19.1075 6.80319 -19.1075 -7.711 GPRESSAVG: 3259800 54.9561 -18.8801 7.1579 -15.9126 -10.7188 -19.3242 7.68171 -20.338 -7.30932 TIMING: 3259800 CPU: 10360.4, 0.00313091/step Wall: 10360.4, 0.00313091/step, 1.51345 hours remaining, 233.570312 MB of memory in use. ENERGY: 3259800 4034.0164 20457.5675 14471.0177 243.3010 -203141.4952 2459.5449 0.0000 0.0000 52121.5434 -109354.5044 299.5432 -161476.0478 -109004.3935 299.3350 -6.7547 16.5909 759874.8589 12.3326 12.3093 PRESSURE: 3260000 36.6788 261.176 50.1365 261.176 189.318 -30.3695 50.1361 -30.3693 -163.49 GPRESSURE: 3260000 59.0059 194.637 62.6848 237.918 201.821 27.2588 32.4327 -26.2917 -129.641 PRESSAVG: 3260000 -7.351 19.5922 37.1355 19.5922 21.8143 -38.7596 37.1356 -38.7595 17.2182 GPRESSAVG: 3260000 -6.44122 20.7997 36.1271 21.4477 20.3299 -37.6407 38.4284 -41.1589 17.1542 TIMING: 3260000 CPU: 10361, 0.0031429/step Wall: 10361, 0.0031429/step, 1.51907 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3260000 3942.8199 20429.2089 14490.9004 255.9718 -203083.2098 2378.2586 0.0000 0.0000 51960.6324 -109625.4178 298.6185 -161586.0502 -109254.5576 298.9775 20.8355 43.7287 760439.4719 10.5605 10.3476 PRESSURE: 3260200 127.721 -101.08 86.8202 -101.08 144.277 -38.2632 86.821 -38.2632 -337.404 GPRESSURE: 3260200 114.073 -57.4478 117.099 -67.4831 205.559 -72.0349 3.16527 -28.1436 -280.045 PRESSAVG: 3260200 47.1408 53.2237 53.7095 53.2237 0.0602579 -54.4376 53.7094 -54.4376 -5.33148 GPRESSAVG: 3260200 45.9072 55.3741 54.9005 51.6155 1.72366 -55.5342 53.8581 -53.1138 -5.80546 TIMING: 3260200 CPU: 10361.6, 0.00313178/step Wall: 10361.6, 0.00313178/step, 1.51352 hours remaining, 233.570312 MB of memory in use. ENERGY: 3260200 3904.3999 20485.3526 14385.1267 245.7779 -203167.4281 2373.1237 0.0000 0.0000 52136.2496 -109637.3977 299.6277 -161773.6473 -109268.6028 299.1027 -21.8021 13.1958 759758.5987 13.9565 13.9418 LDB: ============= START OF LOAD BALANCING ============== 10374.1 LDB: ============== END OF LOAD BALANCING =============== 10374.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10374.1 LDB: ============= START OF LOAD BALANCING ============== 10374.4 LDB: Largest compute 7031 load 0.030493 is 15.6% of average load 0.195486 LDB: Average compute 0.004380 is 2.2% of average load 0.195486 LDB: TIME 10374.4 LOAD: AVG 0.195486 MAX 0.216157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.844 MB LDB: TIME 10374.4 LOAD: AVG 0.195486 MAX 0.216157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.938 MB LDB: TIME 10374.4 LOAD: AVG 0.195486 MAX 0.216157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.938 MB LDB: ============== END OF LOAD BALANCING =============== 10374.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10374.4 PRESSURE: 3260400 -244.859 161.617 256.552 161.615 -126.753 -73.9666 256.553 -73.9659 -20.3614 GPRESSURE: 3260400 -147.049 156.791 222.047 113.873 -146.961 -38.4863 110.153 -97.3194 27.9997 PRESSAVG: 3260400 1.35976 4.28592 76.5455 4.28591 -8.00139 -4.63719 76.5455 -4.63725 -21.3274 GPRESSAVG: 3260400 0.577031 2.9873 75.9646 6.19898 -7.21165 -4.15174 74.4278 -5.44322 -20.9868 TIMING: 3260400 CPU: 10362.3, 0.00321535/step Wall: 10362.3, 0.00321535/step, 1.55373 hours remaining, 235.222656 MB of memory in use. ENERGY: 3260400 4035.2951 20403.1395 14426.6841 238.0020 -202980.6068 2294.6390 0.0000 0.0000 52126.3996 -109456.4475 299.5711 -161582.8471 -109089.6228 299.6958 -130.6578 -88.6701 761675.6083 -9.3230 -9.2071 PRESSURE: 3260600 -73.9418 -8.15072 -92.3825 -8.15095 -72.2686 -255.898 -92.3822 -255.899 -145.239 GPRESSURE: 3260600 -28.9789 -20.6033 -48.22 -48.3014 -16.859 -218.413 -98.1058 -233.262 -129.86 PRESSAVG: 3260600 20.9609 9.68349 17.8716 9.68344 -25.5754 6.00641 17.8715 6.00639 -27.3766 GPRESSAVG: 3260600 21.1277 10.1638 18.1847 8.21234 -25.8035 4.34982 19.9743 4.40801 -27.5341 TIMING: 3260600 CPU: 10362.9, 0.00312244/step Wall: 10362.9, 0.00312244/step, 1.50866 hours remaining, 235.238281 MB of memory in use. ENERGY: 3260600 3999.8635 20527.9184 14428.5533 256.0272 -203040.4406 2318.2873 0.0000 0.0000 51951.3005 -109558.4904 298.5648 -161509.7909 -109195.3812 299.2991 -97.1498 -58.5659 761622.4906 -10.6637 -10.7366 PRESSURE: 3260800 58.3802 -92.3537 142.911 -92.3533 -128.102 81.7596 142.911 81.7593 -50.3845 GPRESSURE: 3260800 -50.3209 -13.3131 46.0773 -93.0236 -34.8909 103.863 298.993 67.6472 26.4574 PRESSAVG: 3260800 27.2964 -46.8579 20.0572 -46.858 -24.2353 -24.2938 20.0572 -24.2938 7.40178 GPRESSAVG: 3260800 28.2519 -46.7612 20.0944 -45.3669 -24.6885 -22.8036 19.963 -22.9184 6.70632 TIMING: 3260800 CPU: 10363.5, 0.00311684/step Wall: 10363.5, 0.00311684/step, 1.50578 hours remaining, 235.308594 MB of memory in use. ENERGY: 3260800 3982.9319 20470.3795 14528.6253 235.4877 -203176.5941 2418.5701 0.0000 0.0000 52114.5143 -109426.0852 299.5028 -161540.5995 -109066.6531 299.0316 -40.0356 -19.5848 760159.9577 3.4876 3.4232 PRESSURE: 3261000 -545.478 72.0448 153.358 72.0444 -495.365 -83.9722 153.358 -83.9726 -205.982 GPRESSURE: 3261000 -530.499 144.025 143.272 56.2279 -422.552 -85.9762 52.649 -92.2608 -200.911 PRESSAVG: 3261000 23.7999 -73.2577 49.3536 -73.2577 -18.2305 -35.2662 49.3536 -35.2663 14.4387 GPRESSAVG: 3261000 23.0817 -71.739 48.5194 -74.5475 -18.5182 -35.6946 50.4804 -36.4824 15.1287 TIMING: 3261000 CPU: 10364.1, 0.003131/step Wall: 10364.1, 0.003131/step, 1.51245 hours remaining, 235.308594 MB of memory in use. ENERGY: 3261000 4084.9319 20479.7113 14490.0497 256.4066 -202804.2283 2043.3139 0.0000 0.0000 52014.5425 -109435.2723 298.9283 -161449.8148 -109078.2818 299.0316 -415.6085 -384.6537 761595.1300 6.6694 6.5641 PRESSURE: 3261200 233.489 48.8969 133.056 48.8971 -145.191 12.1552 133.057 12.1554 -97.1504 GPRESSURE: 3261200 306.278 -95.133 137.001 87.6555 -65.9413 61.1807 94.7493 -79.5798 -147.751 PRESSAVG: 3261200 4.17844 -61.7366 -27.0473 -61.7366 -19.1193 5.56354 -27.0474 5.56357 1.64223 GPRESSAVG: 3261200 5.68579 -62.8061 -26.559 -60.9141 -20.0581 4.886 -29.2031 6.42673 1.33146 TIMING: 3261200 CPU: 10364.8, 0.00315636/step Wall: 10364.8, 0.00315636/step, 1.52452 hours remaining, 235.308594 MB of memory in use. ENERGY: 3261200 4080.2086 20661.9456 14489.2529 218.3908 -203274.2733 2359.2718 0.0000 0.0000 51963.6757 -109501.5279 298.6360 -161465.2036 -109147.3689 299.2105 -2.9507 30.8620 758365.0855 -4.4329 -4.3470 PRESSURE: 3261400 368.475 1.67356 -50.5343 1.67392 57.0391 -53.9274 -50.5348 -53.9282 114.736 GPRESSURE: 3261400 326.124 99.296 -25.0222 -46.634 184.435 35.644 -29.2985 -71.2179 117.18 PRESSAVG: 3261400 46.4685 -37.5354 10.9115 -37.5354 -15.6849 -11.7917 10.9115 -11.7917 22.3593 GPRESSAVG: 3261400 45.7731 -38.7749 11.3102 -37.6691 -14.4857 -10.4092 12.2343 -12.6535 21.9415 TIMING: 3261400 CPU: 10365.4, 0.00313387/step Wall: 10365.4, 0.00313387/step, 1.51348 hours remaining, 235.308594 MB of memory in use. ENERGY: 3261400 3979.1095 20516.3496 14529.1572 245.4395 -203526.8425 2580.6005 0.0000 0.0000 52147.8591 -109528.3271 299.6945 -161676.1862 -109166.7160 299.5112 180.0836 209.2465 760383.7096 17.7143 17.7429 PRESSURE: 3261600 116.143 -139.682 -77.0216 -139.683 148.901 -85.0456 -77.022 -85.0457 -261.43 GPRESSURE: 3261600 137.273 -88.5766 28.8709 -176.84 169.537 -4.83506 -154.519 -62.9497 -218.692 PRESSAVG: 3261600 18.2366 0.548125 6.42329 0.548116 -21.1328 28.5716 6.42325 28.5715 -0.377145 GPRESSAVG: 3261600 18.3542 0.857005 6.65377 0.0615824 -20.4112 26.1241 6.09257 30.3522 -1.53267 TIMING: 3261600 CPU: 10366, 0.00312762/step Wall: 10366, 0.00312762/step, 1.51029 hours remaining, 235.308594 MB of memory in use. ENERGY: 3261600 3969.6332 20616.8165 14459.4454 242.9637 -202588.1053 2070.1743 0.0000 0.0000 51775.8249 -109453.2472 297.5564 -161229.0721 -109094.6428 299.4989 1.2048 29.3728 760992.8635 -1.0911 -1.1965 PRESSURE: 3261800 91.2567 -162.514 158.727 -162.514 136.8 46.6572 158.728 46.6573 540.196 GPRESSURE: 3261800 160.612 -144.656 172.422 -183.188 122.275 124.728 102.129 70.3453 572.336 PRESSAVG: 3261800 24.5151 -47.3726 -13.4813 -47.3726 -32.6109 -68.7468 -13.4813 -68.7468 -18.642 GPRESSAVG: 3261800 23.4941 -48.1482 -16.1789 -46.7849 -33.359 -66.2545 -12.0992 -70.4116 -16.8007 TIMING: 3261800 CPU: 10366.7, 0.00313764/step Wall: 10366.7, 0.00313764/step, 1.51496 hours remaining, 235.308594 MB of memory in use. ENERGY: 3261800 3984.3516 20488.8277 14493.6612 239.3085 -203018.8086 2424.8007 0.0000 0.0000 52049.6673 -109338.1917 299.1302 -161387.8590 -108972.7339 299.9691 256.0840 285.0743 760372.9782 -8.9126 -8.8886 PRESSURE: 3262000 164.544 -15.027 4.73558 -15.0268 -75.3385 142.947 4.73531 142.947 -22.6306 GPRESSURE: 3262000 194.338 -32.4266 24.8395 -16.2797 -18.8747 132.947 -88.1276 94.7959 8.25577 PRESSAVG: 3262000 27.7869 -7.27069 73.8829 -7.27072 -8.06988 -8.45363 73.8829 -8.45363 -1.49459 GPRESSAVG: 3262000 28.3154 -7.02221 75.375 -8.15031 -7.73792 -10.1825 72.9794 -8.77481 -2.00744 TIMING: 3262000 CPU: 10367.3, 0.00312781/step Wall: 10367.3, 0.00312781/step, 1.51004 hours remaining, 235.308594 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: 3262000 3890.8484 20441.2648 14465.4078 272.5898 -203019.0542 2355.1889 0.0000 0.0000 52079.5347 -109514.2198 299.3018 -161593.7545 -109142.8393 299.5582 22.1917 61.2397 760466.7293 6.0741 6.1900 PRESSURE: 3262200 -126.978 -7.28913 88.7215 -7.29042 -26.8592 -79.3049 88.7229 -79.304 -168.912 GPRESSURE: 3262200 -152.06 31.8644 178.067 100.211 28.0892 -97.1644 40.6286 -38.2093 -111.482 PRESSAVG: 3262200 -0.535907 10.3277 29.8434 10.3277 16.8308 -22.2504 29.8434 -22.2503 6.08476 GPRESSAVG: 3262200 -0.309728 9.15562 28.8543 12.4172 16.0487 -20.3613 31.2804 -19.1186 6.41446 TIMING: 3262200 CPU: 10367.9, 0.00313172/step Wall: 10367.9, 0.00313172/step, 1.51175 hours remaining, 235.378906 MB of memory in use. ENERGY: 3262200 4073.5009 20534.3522 14453.7224 238.5269 -202736.3273 2125.1726 0.0000 0.0000 51891.6910 -109419.3614 298.2223 -161311.0524 -109057.0129 298.9570 -107.5830 -78.4842 762111.7168 7.4599 7.3845 PRESSURE: 3262400 80.786 83.3205 -129.372 83.3208 30.5313 -17.0894 -129.372 -17.0902 194.566 GPRESSURE: 3262400 101.533 66.6445 -108.705 175.053 143.436 -21.3624 -123.307 29.1625 151.333 PRESSAVG: 3262400 31.3559 -25.2211 -2.64076 -25.2212 -41.9537 31.7348 -2.64071 31.7347 18.9177 GPRESSAVG: 3262400 30.5432 -23.4243 -0.511304 -26.3309 -40.7111 31.2263 -2.99879 28.2515 18.8981 TIMING: 3262400 CPU: 10368.5, 0.00313268/step Wall: 10368.5, 0.00313268/step, 1.51204 hours remaining, 235.378906 MB of memory in use. ENERGY: 3262400 3963.5511 20534.9310 14463.6649 258.5012 -203225.8098 2296.2260 0.0000 0.0000 52077.0775 -109631.8581 299.2877 -161708.9356 -109257.1572 299.0903 101.9611 132.1003 760296.4427 2.7733 2.9101 PRESSURE: 3262600 -132.127 35.4707 -127.721 35.4703 -165.709 99.4077 -127.722 99.4068 -23.8892 GPRESSURE: 3262600 -110.122 -104.008 -161.79 141.566 -75.9443 130.357 -274.323 109.448 -46.1087 PRESSAVG: 3262600 51.5622 30.995 21.9036 30.995 -46.4804 -20.386 21.9036 -20.386 10.3984 GPRESSAVG: 3262600 51.5146 31.4373 21.3034 29.4581 -47.0278 -21.0866 19.1237 -18.0005 10.1211 TIMING: 3262600 CPU: 10369.2, 0.00312966/step Wall: 10369.2, 0.00312966/step, 1.51041 hours remaining, 235.378906 MB of memory in use. ENERGY: 3262600 3988.8642 20566.7122 14464.8044 235.6670 -203344.1981 2479.3610 0.0000 0.0000 52109.3538 -109499.4354 299.4732 -161608.7892 -109138.2713 299.2477 -107.2418 -77.3916 762796.5135 5.1601 4.8693 PRESSURE: 3262800 -226.366 -59.1879 -50.8417 -59.1874 -320.922 1.42326 -50.8416 1.42286 137.906 GPRESSURE: 3262800 -218.734 -11.7995 -154 -10.5356 -269.6 80.4001 30.919 96.9941 179.44 PRESSAVG: 3262800 12.1958 -19.7483 -63.521 -19.7483 1.6768 57.1887 -63.521 57.1887 -9.43372 GPRESSAVG: 3262800 12.6647 -20.7769 -65.5168 -15.8412 0.741931 57.8163 -61.7161 55.4736 -9.1791 TIMING: 3262800 CPU: 10369.8, 0.00311589/step Wall: 10369.8, 0.00311589/step, 1.50359 hours remaining, 235.378906 MB of memory in use. ENERGY: 3262800 3987.5544 20633.9862 14491.0108 247.0842 -203481.6765 2518.5132 0.0000 0.0000 52224.4329 -109379.0947 300.1345 -161603.5276 -109018.4026 299.7143 -136.4609 -102.9645 759937.5175 1.4796 1.4092 PRESSURE: 3263000 -193.788 124.18 2.5668 124.18 94.2279 -198.229 2.5676 -198.229 42.9009 GPRESSURE: 3263000 -147.49 115.273 -120.962 25.7173 130.646 -149.71 53.3659 -126.204 41.7258 PRESSAVG: 3263000 49.989 19.5566 -39.0311 19.5565 -18.6753 22.4319 -39.0311 22.4319 -10.1342 GPRESSAVG: 3263000 49.7591 21.8311 -38.6287 18.0492 -17.5205 22.4311 -40.4902 23.0526 -11.121 TIMING: 3263000 CPU: 10370.4, 0.00311479/step Wall: 10370.4, 0.00311479/step, 1.50289 hours remaining, 235.378906 MB of memory in use. ENERGY: 3263000 4031.9652 20580.0922 14414.4785 255.7054 -203578.2019 2585.8407 0.0000 0.0000 52233.8384 -109476.2814 300.1886 -161710.1198 -109105.6455 300.1094 -18.8862 8.2938 760685.6027 7.0598 7.0392 PRESSURE: 3263200 -5.50593 -65.5382 74.9617 -65.5383 144.047 -57.5198 74.9619 -57.5186 -356.058 GPRESSURE: 3263200 -105.155 -120.92 48.6943 -56.3817 149.918 -45.4145 -49.5476 -104.381 -197.941 PRESSAVG: 3263200 0.632079 5.89229 27.1572 5.89226 9.87008 -3.01848 27.1571 -3.01849 -0.169947 GPRESSAVG: 3263200 0.129083 5.37072 28.3514 4.81038 10.2213 -1.70027 29.084 -3.80414 0.0982247 TIMING: 3263200 CPU: 10371, 0.00310383/step Wall: 10371, 0.00310383/step, 1.49742 hours remaining, 235.378906 MB of memory in use. ENERGY: 3263200 4030.9119 20583.4896 14503.3794 237.2910 -203606.5034 2664.8430 0.0000 0.0000 52238.4092 -109348.1794 300.2149 -161586.5886 -108985.5703 299.8013 -72.5054 -51.0596 757730.1750 3.4441 3.4829 PRESSURE: 3263400 -255.617 59.5779 232.571 59.5779 -50.9909 -137.751 232.57 -137.75 275.01 GPRESSURE: 3263400 -198.114 -52.4249 160.562 93.9569 -15.8502 -234.477 193.234 -68.2421 277.338 PRESSAVG: 3263400 27.089 4.19106 63.6154 4.1911 -79.0217 -6.24407 63.6154 -6.24404 2.40867 GPRESSAVG: 3263400 26.6029 3.27139 63.0305 5.74628 -78.9435 -8.43237 62.9267 -6.26539 2.0974 TIMING: 3263400 CPU: 10371.7, 0.00311764/step Wall: 10371.7, 0.00311764/step, 1.50391 hours remaining, 235.378906 MB of memory in use. ENERGY: 3263400 4048.1163 20545.7928 14552.2638 226.0273 -203424.0750 2703.7610 0.0000 0.0000 52108.4156 -109239.6981 299.4678 -161348.1137 -108883.2472 300.0965 -10.5325 21.1248 760142.1227 -16.5080 -16.7477 PRESSURE: 3263600 -15.1862 -137.714 266.003 -137.714 246.85 -3.942 266.002 -3.94211 -0.0510079 GPRESSURE: 3263600 76.0441 -72.3903 131.785 -103.881 143.178 4.78514 53.6473 -43.0203 109.84 PRESSAVG: 3263600 -33.5918 -25.2984 8.78158 -25.2984 20.9295 -30.5716 8.78149 -30.5716 6.16284 GPRESSAVG: 3263600 -33.1073 -25.5255 9.05089 -26.9449 19.7372 -30.1578 6.34869 -28.6553 7.14084 TIMING: 3263600 CPU: 10372.3, 0.0031124/step Wall: 10372.3, 0.0031124/step, 1.50122 hours remaining, 235.378906 MB of memory in use. ENERGY: 3263600 3913.9483 20628.3800 14455.8664 259.9924 -203429.2419 2586.7265 0.0000 0.0000 52264.8682 -109319.4601 300.3669 -161584.3283 -108960.9849 299.6492 77.2044 109.6875 758838.4082 -2.1665 -2.0764 PRESSURE: 3263800 -199.012 12.8977 390.942 12.8974 52.3057 -13.5941 390.942 -13.5936 40.8012 GPRESSURE: 3263800 -148.697 31.5935 331.108 37.5392 40.9647 -118.987 421.387 40.8128 96.9478 PRESSAVG: 3263800 58.3134 -47.3796 31.0328 -47.3796 -13.6736 -19.0428 31.0327 -19.0428 14.734 GPRESSAVG: 3263800 57.7689 -46.2901 31.1904 -47.6631 -12.2122 -17.9765 31.3843 -19.9178 14.07 TIMING: 3263800 CPU: 10372.9, 0.00311822/step Wall: 10372.9, 0.00311822/step, 1.50385 hours remaining, 235.378906 MB of memory in use. ENERGY: 3263800 4040.5637 20491.7935 14454.7105 244.0478 -202987.8035 2290.7212 0.0000 0.0000 52145.0116 -109320.9551 299.6781 -161465.9668 -108963.8805 299.8075 -35.3017 -3.5949 759936.7895 19.7913 19.8756 PRESSURE: 3264000 39.9372 -119.058 57.4971 -119.058 130.921 129.128 57.497 129.127 -399.208 GPRESSURE: 3264000 32.8516 -147.145 63.7866 -172.016 114.372 6.81755 189.604 246.876 -323.023 PRESSAVG: 3264000 -9.20945 -20.6255 3.49943 -20.6255 -36.5804 -1.84917 3.49943 -1.84914 -18.3909 GPRESSAVG: 3264000 -8.05484 -22.9166 3.12832 -18.7882 -38.4555 -3.29646 6.47136 -2.14776 -17.5495 TIMING: 3264000 CPU: 10373.5, 0.0031238/step Wall: 10373.5, 0.0031238/step, 1.50637 hours remaining, 235.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3264000 3998.4069 20560.2812 14419.5840 235.7810 -202977.6118 2311.3223 0.0000 0.0000 52109.9232 -109342.3131 299.4764 -161452.2364 -108974.8693 299.4267 -76.1165 -58.6000 761580.7075 -21.3936 -21.3533 PRESSURE: 3264200 48.1409 -30.2918 41.6872 -30.2926 -357.885 -151.092 41.6873 -151.092 -371.749 GPRESSURE: 3264200 42.5904 -116.231 -63.1307 -57.5676 -343.999 -56.1993 23.1884 -76.2034 -306.246 PRESSAVG: 3264200 59.0109 -7.78833 -38.0891 -7.78832 -71.3316 17.997 -38.0891 17.997 1.39274 GPRESSAVG: 3264200 58.9412 -5.84609 -39.003 -11.2316 -71.2072 18.9708 -37.578 16.8659 1.68336 TIMING: 3264200 CPU: 10374.2, 0.0031267/step Wall: 10374.2, 0.0031267/step, 1.50759 hours remaining, 235.378906 MB of memory in use. ENERGY: 3264200 3955.3369 20565.6001 14453.1145 271.2915 -203534.0986 2520.1690 0.0000 0.0000 52395.1281 -109373.4586 301.1155 -161768.5866 -109008.0699 299.6155 -227.1642 -202.5514 762177.7903 -3.6426 -3.5275 LDB: ============= START OF LOAD BALANCING ============== 10386.6 LDB: ============== END OF LOAD BALANCING =============== 10386.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.6 LDB: ============= START OF LOAD BALANCING ============== 10386.9 LDB: Largest compute 7078 load 0.030079 is 15.4% of average load 0.195425 LDB: Average compute 0.004382 is 2.2% of average load 0.195425 LDB: TIME 10386.9 LOAD: AVG 0.195425 MAX 0.215569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.578 MB LDB: TIME 10386.9 LOAD: AVG 0.195425 MAX 0.215569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.582 MB LDB: TIME 10386.9 LOAD: AVG 0.195425 MAX 0.215569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.582 MB LDB: ============== END OF LOAD BALANCING =============== 10386.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.9 PRESSURE: 3264400 -279.03 -8.12502 56.9993 -8.12544 -318.886 -91.8607 56.9988 -91.861 -226.36 GPRESSURE: 3264400 -208.672 -20.9168 87.2267 51.6205 -311.261 -87.6332 -172.837 -96.3711 -190.532 PRESSAVG: 3264400 -15.4549 -11.7456 4.78694 -11.7457 -4.32606 17.2623 4.78689 17.2622 -14.7164 GPRESSAVG: 3264400 -15.781 -10.0604 3.62928 -9.91334 -3.75079 15.774 4.90559 19.8167 -14.7249 TIMING: 3264400 CPU: 10374.8, 0.00319193/step Wall: 10374.8, 0.00319193/step, 1.53886 hours remaining, 234.332031 MB of memory in use. ENERGY: 3264400 3977.4874 20624.9878 14478.8801 238.7565 -202840.5533 2251.9494 0.0000 0.0000 52216.3716 -109052.1205 300.0882 -161268.4921 -108701.2172 299.9444 -274.7586 -236.8217 761476.5889 -11.4991 -11.4189 PRESSURE: 3264600 -280.513 85.7047 -101.709 85.7044 92.2674 40.2867 -101.71 40.2857 143.913 GPRESSURE: 3264600 -145.632 140.986 -97.6481 132.714 80.3482 11.8962 24.8654 28.1579 126.056 PRESSAVG: 3264600 35.7439 4.09876 21.0501 4.09872 -19.9787 -29.9128 21.0502 -29.9128 -9.38053 GPRESSAVG: 3264600 35.1218 4.56509 23.0569 3.13021 -19.3735 -28.3015 20.6969 -30.653 -9.81199 TIMING: 3264600 CPU: 10375.4, 0.00310012/step Wall: 10375.4, 0.00310012/step, 1.49443 hours remaining, 234.535156 MB of memory in use. ENERGY: 3264600 4018.3445 20439.5014 14439.8239 233.2089 -202959.9442 2436.4128 0.0000 0.0000 52275.6824 -109116.9703 300.4291 -161392.6527 -108752.2991 300.5941 -14.7775 20.2574 761632.2201 2.1282 1.9787 PRESSURE: 3264800 -459.379 -84.5649 -292.419 -84.5654 -17.9717 -119.721 -292.418 -119.721 -120.7 GPRESSURE: 3264800 -388.994 -78.5869 -197.035 -126.397 -30.9028 -110.167 -287.023 -252.577 -103.058 PRESSAVG: 3264800 -45.523 -28.2551 39.3345 -28.2552 11.9278 -53.7529 39.3346 -53.753 2.6315 GPRESSAVG: 3264800 -45.0066 -30.7616 39.322 -26.2116 10.9453 -54.593 39.2656 -55.0741 3.26587 TIMING: 3264800 CPU: 10376, 0.0031089/step Wall: 10376, 0.0031089/step, 1.49849 hours remaining, 234.605469 MB of memory in use. ENERGY: 3264800 4029.2876 20631.7059 14402.6416 261.5906 -203252.6910 2530.2597 0.0000 0.0000 52139.4590 -109257.7464 299.6462 -161397.2055 -108907.2426 299.9167 -199.3501 -174.3182 761692.4544 -10.3212 -10.2651 PRESSURE: 3265000 -186.247 -155.338 -81.2865 -155.338 -132.329 -14.8753 -81.2859 -14.8749 -23.5956 GPRESSURE: 3265000 -162.234 -164.856 18.3875 -115.822 -91.5171 -64.0654 -68.2426 -77.4572 -20.7324 PRESSAVG: 3265000 5.76078 3.18763 -11.7458 3.18766 -3.83514 -53.6876 -11.7458 -53.6877 -7.98901 GPRESSAVG: 3265000 4.73561 1.38371 -11.1731 3.49164 -3.25867 -52.5083 -11.1748 -52.9472 -7.87729 TIMING: 3265000 CPU: 10376.7, 0.00312096/step Wall: 10376.7, 0.00312096/step, 1.50413 hours remaining, 234.605469 MB of memory in use. ENERGY: 3265000 4100.4343 20688.7269 14482.0880 229.2064 -202982.1893 2341.5459 0.0000 0.0000 51827.6635 -109312.5244 297.8543 -161140.1878 -108960.9492 299.7638 -114.0572 -91.4944 761989.6253 -2.0211 -2.1335 PRESSURE: 3265200 -250.142 1.76372 241.415 1.76333 -352.626 -79.7431 241.415 -79.7439 -27.0793 GPRESSURE: 3265200 -165.848 -28.9969 233.564 -124.609 -273.371 -15.3952 230.718 -117.657 -128.086 PRESSAVG: 3265200 19.0549 -8.56023 0.882534 -8.56027 20.0219 -49.0249 0.882531 -49.0249 11.4491 GPRESSAVG: 3265200 19.1116 -6.31448 -1.42973 -9.62325 20.0003 -50.3304 -0.135192 -49.1641 10.8305 TIMING: 3265200 CPU: 10377.3, 0.00311598/step Wall: 10377.3, 0.00311598/step, 1.50155 hours remaining, 234.605469 MB of memory in use. ENERGY: 3265200 4050.7705 20582.0582 14530.9254 250.2190 -203020.7054 2310.6075 0.0000 0.0000 52170.3141 -109125.8106 299.8235 -161296.1248 -108766.7058 299.6481 -209.9492 -189.1016 762451.8728 16.8420 16.6474 PRESSURE: 3265400 85.5985 67.2793 -71.2334 67.2794 -182.881 62.2836 -71.2329 62.2849 -24.0481 GPRESSURE: 3265400 41.3475 -8.52746 -60.6849 196.469 -97.691 139.801 -185.148 64.43 26.4966 PRESSAVG: 3265400 -13.3927 -22.9233 17.5307 -22.9233 26.2365 3.82608 17.5307 3.8261 -34.1367 GPRESSAVG: 3265400 -13.4492 -21.7104 21.0229 -23.823 25.7083 6.88512 16.0635 2.25979 -33.5135 TIMING: 3265400 CPU: 10377.9, 0.00311279/step Wall: 10377.9, 0.00311279/step, 1.49985 hours remaining, 234.605469 MB of memory in use. ENERGY: 3265400 3979.2070 20601.2316 14481.0163 236.6010 -202709.2119 2063.6475 0.0000 0.0000 52054.1799 -109293.3286 299.1561 -161347.5085 -108930.3160 299.9508 -40.4434 -9.9490 761665.9962 -7.0976 -7.0848 PRESSURE: 3265600 -220.215 196.217 254.42 196.216 -175.971 -60.0766 254.419 -60.0773 -70.2011 GPRESSURE: 3265600 -179.186 216.594 277.081 200.042 -118.399 -71.1867 303.639 -99.213 -79.2195 PRESSAVG: 3265600 -36.7011 20.0699 -1.54569 20.07 20.6618 -31.9661 -1.54572 -31.9661 0.658031 GPRESSAVG: 3265600 -36.2135 20.7462 -2.25075 20.3415 20.8114 -31.884 0.797339 -31.9359 0.201848 TIMING: 3265600 CPU: 10378.5, 0.00312471/step Wall: 10378.5, 0.00312471/step, 1.50542 hours remaining, 234.605469 MB of memory in use. ENERGY: 3265600 3995.8207 20491.0692 14456.4662 222.9076 -203152.9452 2501.2920 0.0000 0.0000 52283.0496 -109202.3398 300.4714 -161485.3894 -108839.9587 299.8440 -155.4623 -125.6016 761609.6221 -5.1271 -5.0668 PRESSURE: 3265800 -234.555 -267.828 45.2269 -267.827 199.715 -148.902 45.2268 -148.901 -490.78 GPRESSURE: 3265800 -237.972 -176.744 69.9724 -250.212 159.084 -163.709 7.87804 -261.713 -361.362 PRESSAVG: 3265800 15.0306 35.3717 18.4618 35.3718 -44.621 -25.7394 18.4617 -25.7394 28.444 GPRESSAVG: 3265800 14.5201 32.9112 17.3443 36.0186 -44.2662 -28.2258 17.8753 -23.7839 28.9763 TIMING: 3265800 CPU: 10379.2, 0.00312963/step Wall: 10379.2, 0.00312963/step, 1.50761 hours remaining, 234.605469 MB of memory in use. ENERGY: 3265800 3999.4564 20566.7536 14455.2827 239.3812 -203087.3940 2338.9354 0.0000 0.0000 52243.8848 -109243.6999 300.2463 -161487.5848 -108881.0009 299.9692 -175.2068 -146.7500 762434.8952 -0.3821 -0.2566 PRESSURE: 3266000 -96.4887 120.421 127.85 120.421 391.774 -58.8098 127.851 -58.8091 343.798 GPRESSURE: 3266000 -23.2079 176.51 187.217 114.962 407.597 -91.9059 21.1751 77.8173 337.049 PRESSAVG: 3266000 35.7415 7.23846 36.2829 7.23841 -45.1634 -99.6002 36.2829 -99.6003 -10.1776 GPRESSAVG: 3266000 36.8362 7.53728 35.1464 6.40912 -46.2523 -100.021 37.3526 -99.3856 -10.5967 TIMING: 3266000 CPU: 10379.8, 0.00315484/step Wall: 10379.8, 0.00315484/step, 1.51958 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3266000 3901.4885 20674.9091 14473.8038 251.0622 -203062.0124 2439.0007 0.0000 0.0000 51864.9015 -109456.8466 298.0683 -161321.7481 -109094.3342 299.8068 213.0277 240.4797 762027.1594 -6.5332 -6.6709 PRESSURE: 3266200 108.28 -194.859 160.699 -194.858 -195.809 313.702 160.699 313.701 122.166 GPRESSURE: 3266200 125.78 -185.185 122.13 12.6756 -178.733 285.011 179.345 242.898 166.987 PRESSAVG: 3266200 -21.5329 5.24861 14.6946 5.24863 27.2885 5.4172 14.6946 5.41717 -16.2498 GPRESSAVG: 3266200 -21.1057 4.59036 15.7836 8.50315 27.2668 6.48935 13.8101 5.98335 -15.5723 TIMING: 3266200 CPU: 10380.4, 0.00314055/step Wall: 10380.4, 0.00314055/step, 1.51252 hours remaining, 234.605469 MB of memory in use. ENERGY: 3266200 3942.5983 20629.5878 14442.8151 237.8284 -203556.6581 2709.9916 0.0000 0.0000 52168.8458 -109424.9912 299.8151 -161593.8369 -109065.3345 299.2235 11.5455 38.0111 762738.6481 -3.4981 -3.1371 PRESSURE: 3266400 -52.9816 245.516 228.747 245.515 23.9448 0.751912 228.747 0.751489 -113.185 GPRESSURE: 3266400 -82.2162 239.177 247.262 55.6125 98.2302 42.1519 354.548 96.8548 -62.2466 PRESSAVG: 3266400 -8.72138 -2.13496 33.6915 -2.13506 -29.5438 -8.92814 33.6914 -8.92817 23.3322 GPRESSAVG: 3266400 -10.0999 -1.20996 33.7535 -4.51458 -28.4247 -7.8336 33.7331 -10.9115 23.5911 TIMING: 3266400 CPU: 10381, 0.00312298/step Wall: 10381, 0.00312298/step, 1.50389 hours remaining, 234.605469 MB of memory in use. ENERGY: 3266400 3915.9357 20533.8621 14507.2117 264.1674 -203210.0729 2542.5941 0.0000 0.0000 52067.0591 -109379.2428 299.2301 -161446.3019 -109021.7113 299.3276 -47.4073 -15.4108 762403.8232 -4.9776 -4.9778 PRESSURE: 3266600 -84.147 -55.7845 -48.7692 -55.7845 16.7508 143.343 -48.7693 143.343 320.051 GPRESSURE: 3266600 62.6173 -157.333 -136.217 -43.1755 38.9472 202.157 30.8054 128.688 249.271 PRESSAVG: 3266600 -31.309 -5.19711 47.5087 -5.19713 13.7305 0.096883 47.5087 0.0968807 11.2499 GPRESSAVG: 3266600 -28.9338 -5.43394 47.5782 -3.373 13.0457 -1.30377 47.2483 -0.862069 10.0516 TIMING: 3266600 CPU: 10381.7, 0.00311647/step Wall: 10381.7, 0.00311647/step, 1.50058 hours remaining, 234.605469 MB of memory in use. ENERGY: 3266600 3930.6381 20581.6417 14451.5733 255.2122 -203275.7119 2504.6852 0.0000 0.0000 52177.2723 -109374.6891 299.8635 -161551.9614 -109009.6278 299.7545 84.2184 116.9453 762825.8085 -2.1095 -1.9455 PRESSURE: 3266800 -396.521 67.7256 157.329 67.7245 -319.774 -152.434 157.33 -152.434 11.6376 GPRESSURE: 3266800 -357.123 77.5262 113.353 45.514 -235.599 -133.924 144.108 -160.975 -40.9196 PRESSAVG: 3266800 52.1921 9.48516 81.5497 9.48512 11.1662 -4.92871 81.5498 -4.92862 0.111398 GPRESSAVG: 3266800 51.4303 9.81375 82.6836 8.61349 10.9945 -3.61652 81.1484 -4.34005 1.29979 TIMING: 3266800 CPU: 10382.3, 0.00315455/step Wall: 10382.3, 0.00315455/step, 1.51874 hours remaining, 234.605469 MB of memory in use. ENERGY: 3266800 4036.3906 20434.8400 14521.7712 255.2048 -203377.3197 2447.2087 0.0000 0.0000 51981.6743 -109700.2302 298.7394 -161681.9044 -109332.5243 299.5547 -234.8857 -211.2140 760884.8245 21.1566 21.2415 PRESSURE: 3267000 51.11 38.6518 -86.5767 38.6511 -182.384 15.9339 -86.5767 15.9341 400.479 GPRESSURE: 3267000 -35.1634 -89.6913 -38.583 147.907 -45.553 -8.04548 -62.9268 1.78933 449.849 PRESSAVG: 3267000 -22.3448 38.2153 61.9753 38.2153 -15.6088 -68.6506 61.9752 -68.6506 11.0242 GPRESSAVG: 3267000 -22.7975 39.6159 62.9433 37.7843 -14.4 -70.6162 61.014 -67.3142 10.6986 TIMING: 3267000 CPU: 10382.9, 0.00311521/step Wall: 10382.9, 0.00311521/step, 1.49963 hours remaining, 234.605469 MB of memory in use. ENERGY: 3267000 3968.3117 20387.0665 14424.2985 252.8364 -203623.6069 2792.2401 0.0000 0.0000 51958.6038 -109840.2499 298.6068 -161798.8537 -109475.8151 298.6881 89.7350 123.0441 761568.8731 -8.9765 -8.8330 PRESSURE: 3267200 -136.642 76.2783 49.6333 76.2779 145.363 -28.0069 49.6344 -28.0064 -172.26 GPRESSURE: 3267200 -87.9208 88.631 69.4873 81.4539 121.717 14.2567 57.5729 -72.9242 -97.6191 PRESSAVG: 3267200 5.54031 21.7367 40.6252 21.7367 11.9133 -22.4414 40.6251 -22.4413 8.05566 GPRESSAVG: 3267200 5.60544 20.3288 39.1525 22.3524 12.2577 -21.3494 43.0744 -22.763 8.45547 TIMING: 3267200 CPU: 10383.5, 0.0031316/step Wall: 10383.5, 0.0031316/step, 1.50734 hours remaining, 234.808594 MB of memory in use. ENERGY: 3267200 3981.1306 20462.0625 14451.9749 252.5552 -203490.3379 2556.4813 0.0000 0.0000 52144.3656 -109641.7679 299.6744 -161786.1335 -109279.2842 298.8479 -54.5131 -21.2743 760953.6665 8.5031 8.7729 PRESSURE: 3267400 -111.503 -60.9081 -119.516 -60.9078 -18.6819 -89.0837 -119.516 -89.0819 -160.337 GPRESSURE: 3267400 15.1281 6.68941 -195.573 -110.392 -53.9278 -68.6348 23.226 -107.389 -160.593 PRESSAVG: 3267400 -36.567 -5.3876 -1.52273 -5.38762 -7.49287 27.7261 -1.52275 27.7261 9.37911 GPRESSAVG: 3267400 -35.9251 -3.82099 -1.44449 -5.0667 -7.73986 26.3823 -1.81583 27.6693 8.91006 TIMING: 3267400 CPU: 10384.2, 0.00312945/step Wall: 10384.2, 0.00312945/step, 1.50614 hours remaining, 234.875000 MB of memory in use. ENERGY: 3267400 3990.5463 20593.2531 14445.9105 232.9824 -203327.0690 2450.5619 0.0000 0.0000 51879.1505 -109734.6643 298.1502 -161613.8148 -109384.6267 298.9298 -96.8407 -66.4643 761102.9663 -11.5603 -11.5850 PRESSURE: 3267600 62.5396 -90.5569 141.016 -90.556 -226.029 331.63 141.015 331.63 10.6281 GPRESSURE: 3267600 93.0621 -56.3118 202.106 18.0884 -234.27 279.928 150.118 211.831 94.6652 PRESSAVG: 3267600 -33.6148 -4.63006 -37.3688 -4.63003 26.3383 -5.40121 -37.3688 -5.40117 -23.0213 GPRESSAVG: 3267600 -34.4735 -6.19075 -36.2474 -4.86406 26.6112 -3.65807 -37.954 -5.50403 -22.0829 TIMING: 3267600 CPU: 10384.8, 0.00313675/step Wall: 10384.8, 0.00313675/step, 1.50947 hours remaining, 234.875000 MB of memory in use. ENERGY: 3267600 4016.3967 20394.3913 14471.3263 231.6887 -203483.8668 2456.3732 0.0000 0.0000 52135.3186 -109778.3721 299.6224 -161913.6907 -109414.4184 298.9083 -50.9539 -15.5143 761916.9358 -10.0993 -9.9818 PRESSURE: 3267800 -66.383 162.319 109.574 162.319 31.5014 168.845 109.573 168.846 92.0441 GPRESSURE: 3267800 -77.0267 192.367 76.6248 159.743 108.391 139.206 206.277 147.11 120.989 PRESSAVG: 3267800 -86.812 -20.0874 6.33931 -20.0875 41.2121 31.4151 6.33929 31.4151 -0.590051 GPRESSAVG: 3267800 -87.008 -19.4745 5.68497 -20.3918 40.8508 30.7263 6.69822 32.2702 0.290837 TIMING: 3267800 CPU: 10385.4, 0.00312501/step Wall: 10385.4, 0.00312501/step, 1.50365 hours remaining, 234.875000 MB of memory in use. ENERGY: 3267800 3957.0157 20566.7313 14455.8765 235.9696 -203918.7805 2724.1925 0.0000 0.0000 52255.2467 -109723.7482 300.3116 -161978.9949 -109355.9842 298.6993 19.0542 50.7844 761290.9095 -15.3966 -15.2888 PRESSURE: 3268000 -152.967 -111.811 324.233 -111.811 -405.561 -37.8138 324.233 -37.8122 -177.741 GPRESSURE: 3268000 -105.659 -130.261 427.613 -148.402 -319.786 -115.533 147.184 -118.934 -216.386 PRESSAVG: 3268000 -39.1226 19.0187 33.8359 19.0188 25.0577 10.7856 33.8359 10.7856 -6.85589 GPRESSAVG: 3268000 -38.9819 20.7787 34.5554 17.3385 26.2611 10.4819 33.4916 9.27624 -8.32888 TIMING: 3268000 CPU: 10386, 0.00312067/step Wall: 10386, 0.00312067/step, 1.50139 hours remaining, 234.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3268000 4022.8620 20443.1562 14405.2243 239.6982 -203337.6799 2423.2519 0.0000 0.0000 52058.1992 -109745.2879 299.1792 -161803.4872 -109382.3974 299.0610 -245.4229 -213.9436 762266.7016 -6.9736 -7.0165 PRESSURE: 3268200 -181.42 95.6865 -50.4408 95.6859 -275.837 -26.1906 -50.4399 -26.1908 70.2828 GPRESSURE: 3268200 -71.9131 -90.3184 -60.2444 78.6843 -342.592 44.8268 28.3509 -86.9545 113.59 PRESSAVG: 3268200 4.182 -25.0124 48.9212 -25.0124 7.51163 19.1195 48.9211 19.1194 -9.51703 GPRESSAVG: 3268200 6.00971 -25.5323 46.7357 -25.7013 5.33496 17.4601 49.0065 20.6882 -8.90735 TIMING: 3268200 CPU: 10386.7, 0.00312246/step Wall: 10386.7, 0.00312246/step, 1.50208 hours remaining, 234.875000 MB of memory in use. ENERGY: 3268200 4109.0774 20606.3717 14381.5979 259.1008 -203641.8630 2602.3301 0.0000 0.0000 52146.1782 -109537.2068 299.6848 -161683.3850 -109180.8008 298.8355 -128.9912 -100.3051 762502.0193 0.7255 0.8124 LDB: ============= START OF LOAD BALANCING ============== 10399.1 LDB: ============== END OF LOAD BALANCING =============== 10399.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10399.1 LDB: ============= START OF LOAD BALANCING ============== 10399.4 LDB: Largest compute 7078 load 0.030598 is 15.7% of average load 0.195500 LDB: Average compute 0.004370 is 2.2% of average load 0.195500 LDB: TIME 10399.4 LOAD: AVG 0.1955 MAX 0.21468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.434 MB LDB: TIME 10399.4 LOAD: AVG 0.1955 MAX 0.21468 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: TIME 10399.4 LOAD: AVG 0.1955 MAX 0.21468 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: ============== END OF LOAD BALANCING =============== 10399.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10399.4 PRESSURE: 3268400 -182.271 -111.536 -128.141 -111.536 -131.049 283.948 -128.14 283.948 -208.448 GPRESSURE: 3268400 -161.546 -77.1389 -191.688 -102.064 -75.4712 311.317 -75.317 264.942 -176.718 PRESSAVG: 3268400 -33.718 5.44152 -2.34131 5.44149 -7.16708 24.4853 -2.3413 24.4853 -4.48925 GPRESSAVG: 3268400 -34.7021 4.23666 -0.895826 7.43974 -6.23794 26.1634 -2.15356 23.5497 -4.45763 TIMING: 3268400 CPU: 10387.3, 0.00318631/step Wall: 10387.3, 0.00318632/step, 1.53262 hours remaining, 235.617188 MB of memory in use. ENERGY: 3268400 3997.2278 20490.3354 14412.1984 228.0016 -202938.2018 2177.7179 0.0000 0.0000 51960.7264 -109671.9944 298.6190 -161632.7207 -109307.5213 299.1272 -173.9225 -137.9118 762250.2561 -15.1248 -15.1326 PRESSURE: 3268600 -199.608 -13.8147 -114.051 -13.8139 -232.915 95.9945 -114.051 95.9942 -372.752 GPRESSURE: 3268600 -90.6432 -23.8798 -126.186 51.4718 -253.927 107.367 -167.322 80.7467 -391.464 PRESSAVG: 3268600 20.5877 2.27069 -54.4316 2.27071 18.7733 33.6957 -54.4317 33.6958 -7.45814 GPRESSAVG: 3268600 19.4514 2.01125 -54.5711 1.18028 19.8857 33.8112 -56.0334 34.9949 -7.38584 TIMING: 3268600 CPU: 10387.9, 0.00312469/step Wall: 10387.9, 0.00312469/step, 1.5028 hours remaining, 236.144531 MB of memory in use. ENERGY: 3268600 3955.0349 20739.9214 14391.0423 247.9357 -203420.0440 2116.4567 0.0000 0.0000 52213.9762 -109755.6767 300.0744 -161969.6530 -109396.8196 298.6966 -268.4250 -245.3448 761474.2602 10.6343 10.6504 PRESSURE: 3268800 276.386 -23.1128 37.8335 -23.1131 107.708 -339.233 37.8348 -339.235 124.85 GPRESSURE: 3268800 268.249 -172.709 -5.04565 -138.05 157.407 -294.018 136.925 -333.64 144.468 PRESSAVG: 3268800 9.46479 -7.80707 26.5196 -7.8071 17.5465 6.66176 26.5196 6.66177 17.2641 GPRESSAVG: 3268800 10.302 -9.3833 25.4746 -5.05807 17.0992 5.59209 27.9539 6.87233 16.9723 TIMING: 3268800 CPU: 10388.6, 0.00312102/step Wall: 10388.6, 0.00312102/step, 1.50086 hours remaining, 236.144531 MB of memory in use. ENERGY: 3268800 4018.8838 20573.6989 14418.3173 268.7636 -203730.8147 2782.1247 0.0000 0.0000 51923.8264 -109745.2001 298.4069 -161669.0264 -109383.9606 298.9726 169.6478 190.0416 760037.0612 14.7585 14.7912 PRESSURE: 3269000 58.1812 62.6135 8.62567 62.6145 -327.643 106.195 8.62567 106.195 563.418 GPRESSURE: 3269000 76.521 -19.1329 -47.5398 15.769 -196.592 131.67 -52.4426 34.2974 503.586 PRESSAVG: 3269000 -20.4169 -45.0075 24.3247 -45.0076 10.0337 -105.396 24.3246 -105.396 -5.82684 GPRESSAVG: 3269000 -20.322 -42.1613 25.1446 -48.1712 10.3632 -103.807 23.7256 -105.031 -6.37067 TIMING: 3269000 CPU: 10389.2, 0.00312789/step Wall: 10389.2, 0.00312789/step, 1.50399 hours remaining, 236.144531 MB of memory in use. ENERGY: 3269000 3973.5210 20642.8101 14368.0424 223.0417 -204135.3962 2816.4220 0.0000 0.0000 52192.5342 -109919.0248 299.9512 -162111.5590 -109555.1360 298.6777 97.9855 127.8386 760538.4548 -5.4033 -5.4431 PRESSURE: 3269200 -142.287 -6.55361 117.984 -6.55425 -82.3796 -11.5881 117.985 -11.5874 -195.831 GPRESSURE: 3269200 -94.0836 -54.2922 147.325 62.6058 -52.1133 -19.5944 40.1884 4.95179 -174.772 PRESSAVG: 3269200 11.0714 18.0116 16.9199 18.0116 -14.0852 -22.4167 16.9199 -22.4167 6.34239 GPRESSAVG: 3269200 11.185 16.7699 16.307 20.368 -14.9575 -22.8173 15.9395 -22.1066 7.09932 TIMING: 3269200 CPU: 10389.8, 0.00313249/step Wall: 10389.8, 0.00313249/step, 1.50603 hours remaining, 236.144531 MB of memory in use. ENERGY: 3269200 4056.8107 20658.9578 14507.9621 254.2028 -203625.4502 2571.1695 0.0000 0.0000 51687.6669 -109888.6804 297.0497 -161576.3473 -109525.6158 298.7442 -140.1658 -106.9897 762156.2167 1.1095 1.1089 PRESSURE: 3269400 -91.1497 98.4214 -122.041 98.4214 -290.873 -144.347 -122.042 -144.349 -339.648 GPRESSURE: 3269400 -92.7567 163.528 -115.408 12.1579 -259.91 -124.421 -62.0775 -180.41 -276.371 PRESSAVG: 3269400 -11.6525 10.5788 0.819883 10.5788 20.4863 34.0358 0.819892 34.0358 -18.8104 GPRESSAVG: 3269400 -11.4675 10.9872 1.15075 11.1955 20.9561 35.5134 3.27178 32.2945 -20.0543 TIMING: 3269400 CPU: 10390.4, 0.00312038/step Wall: 10390.4, 0.00312038/step, 1.50004 hours remaining, 236.144531 MB of memory in use. ENERGY: 3269400 3987.6584 20451.0991 14512.1412 246.8541 -203501.7735 2423.1756 0.0000 0.0000 51865.4979 -110015.3472 298.0717 -161880.8451 -109648.9493 298.1113 -240.5569 -209.6793 761137.9561 -3.3255 -3.5219 PRESSURE: 3269600 -103.34 0.303381 113.643 0.304295 -74.1694 4.20953 113.643 4.20794 -198.275 GPRESSURE: 3269600 -46.1096 163.546 92.2409 -32.6866 -48.8991 37.2953 42.3361 7.81632 -184.253 PRESSAVG: 3269600 4.4254 19.6196 10.9376 19.6196 -1.54159 42.4419 10.9376 42.4419 14.8564 GPRESSAVG: 3269600 3.15575 20.3029 11.4639 20.7532 -0.979616 40.5114 8.43225 45.5402 14.8539 TIMING: 3269600 CPU: 10391.1, 0.00311934/step Wall: 10391.1, 0.00311934/step, 1.49936 hours remaining, 236.144531 MB of memory in use. ENERGY: 3269600 4007.3008 20527.1387 14486.7688 249.3115 -203381.4273 2526.3943 0.0000 0.0000 51767.8249 -109816.6883 297.5104 -161584.5132 -109452.9738 298.3632 -125.2613 -93.0872 760384.5758 5.9134 5.6767 PRESSURE: 3269800 -147.362 144.825 -131.014 144.825 310.973 104.059 -131.013 104.059 222.138 GPRESSURE: 3269800 -61.4822 211.05 -159.155 179.584 371.313 142.24 -32.9159 84.228 156.3 PRESSAVG: 3269800 -46.8074 -3.59511 -34.8089 -3.59511 20.4469 11.1946 -34.8088 11.1946 -18.6612 GPRESSAVG: 3269800 -47.1345 -3.15723 -35.2268 -5.83996 20.5448 13.0717 -31.8591 10.0619 -17.8535 TIMING: 3269800 CPU: 10391.7, 0.00312824/step Wall: 10391.7, 0.00312824/step, 1.50347 hours remaining, 236.144531 MB of memory in use. ENERGY: 3269800 3888.8605 20655.2399 14491.3730 260.6743 -203486.2615 2254.3958 0.0000 0.0000 52053.7071 -109882.0110 299.1534 -161935.7181 -109525.4828 298.5290 128.5829 155.3770 760312.7055 -15.0072 -14.8144 PRESSURE: 3270000 77.3944 98.748 -34.0824 98.7473 -111.546 -116.874 -34.0823 -116.873 55.5522 GPRESSURE: 3270000 71.3542 103.167 -49.9581 137.931 -78.9308 -68.1809 -39.1008 -94.0554 120.39 PRESSAVG: 3270000 -5.48557 55.6061 16.4074 55.6062 -13.2551 19.3073 16.4074 19.3073 -4.8289 GPRESSAVG: 3270000 -5.55866 53.9719 15.9097 57.8008 -12.8051 17.3492 17.5468 17.4293 -5.53037 TIMING: 3270000 CPU: 10392.3, 0.00311285/step Wall: 10392.3, 0.00311285/step, 1.4959 hours remaining, 236.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3270000 3983.6735 20531.5625 14414.2924 266.5159 -203454.7473 2436.5344 0.0000 0.0000 52158.4222 -109663.7463 299.7552 -161822.1685 -109299.3109 298.8776 7.1336 37.6045 761895.6269 -7.8565 -7.9647 PRESSURE: 3270200 -107.098 -28.3962 -140.396 -28.3955 366.098 -117.347 -140.395 -117.347 -60.7459 GPRESSURE: 3270200 -24.4868 -104.717 -97.2481 -26.3515 370.389 -128.913 -216.446 -76.503 -59.9984 PRESSAVG: 3270200 38.5942 -56.9399 -37.9047 -56.9399 -39.1536 -39.1028 -37.9047 -39.1029 -8.36437 GPRESSAVG: 3270200 38.6691 -56.8979 -37.661 -59.3683 -39.85 -38.4778 -41.9268 -37.1728 -7.47964 TIMING: 3270200 CPU: 10392.9, 0.00310558/step Wall: 10392.9, 0.00310558/step, 1.49223 hours remaining, 236.144531 MB of memory in use. ENERGY: 3270200 3949.8431 20520.1189 14341.4459 251.9039 -203678.4427 2892.6663 0.0000 0.0000 51899.9060 -109822.5587 298.2695 -161722.4647 -109458.7802 299.1438 66.0849 95.3013 761165.5659 -2.9746 -2.8868 PRESSURE: 3270400 -371.311 -7.47692 106.41 -7.4785 -308.406 -0.54579 106.41 -0.545822 -70.2398 GPRESSURE: 3270400 -251.114 25.3892 16.0944 57.5116 -325.226 -53.3194 71.8885 58.46 -86.918 PRESSAVG: 3270400 21.5014 29.8222 -12.001 29.8221 -31.8353 14.6644 -12.001 14.6644 4.35028 GPRESSAVG: 3270400 21.854 29.753 -11.8068 30.5931 -32.3353 15.0839 -8.73994 14.9287 4.7234 TIMING: 3270400 CPU: 10393.5, 0.00311151/step Wall: 10393.5, 0.00311151/step, 1.49491 hours remaining, 236.144531 MB of memory in use. ENERGY: 3270400 3925.3600 20451.7127 14429.4822 236.4665 -203091.7452 2416.8847 0.0000 0.0000 51675.4707 -109956.3684 296.9796 -161631.8390 -109605.7054 298.9725 -249.9854 -221.0860 762639.6046 -1.9945 -1.9193 PRESSURE: 3270600 191.316 -249.632 313.432 -249.632 49.2024 69.1974 313.431 69.1975 172.001 GPRESSURE: 3270600 246.905 -98.8354 400.12 -251.602 67.1888 51.0528 180.711 -3.16898 173.562 PRESSAVG: 3270600 -5.01639 -15.4623 -23.2106 -15.4624 -56.3473 45.0849 -23.2107 45.0849 -16.1381 GPRESSAVG: 3270600 -4.03067 -15.4513 -23.0336 -15.1121 -57.0084 44.2599 -26.2831 46.161 -16.563 TIMING: 3270600 CPU: 10394.2, 0.00311075/step Wall: 10394.2, 0.00311076/step, 1.49437 hours remaining, 236.156250 MB of memory in use. ENERGY: 3270600 3962.4268 20485.6403 14406.8787 248.7158 -203647.0743 2628.3648 0.0000 0.0000 52133.2395 -109781.8083 299.6104 -161915.0479 -109422.0052 298.8511 137.5066 162.5517 761076.1435 -25.8339 -25.8674 PRESSURE: 3270800 -536.124 -216.7 -190.109 -216.7 91.7626 -420.479 -190.11 -420.48 83.3463 GPRESSURE: 3270800 -433.717 -172.415 -206.551 -234.734 39.9983 -316.064 -183.881 -400.51 129.126 PRESSAVG: 3270800 20.0293 -38.3087 37.2752 -38.3087 -0.859769 33.3609 37.2751 33.3609 -8.00641 GPRESSAVG: 3270800 20.1122 -37.3748 36.4507 -39.0937 -0.900988 34.9796 38.6261 32.3613 -8.18639 TIMING: 3270800 CPU: 10394.8, 0.00311541/step Wall: 10394.8, 0.0031154/step, 1.49643 hours remaining, 236.156250 MB of memory in use. ENERGY: 3270800 4051.4980 20540.7630 14431.2770 231.7824 -203513.1215 2602.9850 0.0000 0.0000 51927.5880 -109727.2280 298.4286 -161654.8160 -109372.6076 299.1292 -120.3383 -88.1974 761529.8401 3.7210 3.6749 PRESSURE: 3271000 94.3378 -278.242 9.23219 -278.242 -180.782 -72.5595 9.232 -72.5593 -195.691 GPRESSURE: 3271000 166.922 -381.19 71.5642 -333.028 -117.63 -82.5327 -16.3398 -9.89857 -248.066 PRESSAVG: 3271000 22.1937 -6.38788 -33.8472 -6.38788 8.54635 1.58733 -33.8473 1.58717 -7.37856 GPRESSAVG: 3271000 22.0602 -8.66338 -34.3509 -5.00997 8.12815 0.474832 -31.8518 1.87835 -6.74357 TIMING: 3271000 CPU: 10395.4, 0.00312249/step Wall: 10395.4, 0.00312249/step, 1.49966 hours remaining, 236.156250 MB of memory in use. ENERGY: 3271000 3971.8600 20454.8679 14455.3261 237.2654 -203605.2734 2738.9680 0.0000 0.0000 52102.5665 -109644.4194 299.4342 -161746.9859 -109284.8932 299.1338 -94.0450 -66.2582 761190.6069 7.7872 7.8149 PRESSURE: 3271200 188.633 88.2117 -17.0343 88.2113 -43.5026 -46.6917 -17.0345 -46.6915 65.5659 GPRESSURE: 3271200 150.387 98.1756 -115.337 159.657 30.2758 -75.7477 -44.1326 21.0061 111.353 PRESSAVG: 3271200 -0.366756 37.2921 1.49696 37.2921 -15.1787 56.4109 1.49688 56.411 -4.26853 GPRESSAVG: 3271200 -1.34162 39.6681 2.95574 36.0014 -14.4527 56.583 -0.413297 55.7858 -4.25821 TIMING: 3271200 CPU: 10396, 0.00311783/step Wall: 10396, 0.00311783/step, 1.49725 hours remaining, 236.156250 MB of memory in use. ENERGY: 3271200 4149.2549 20191.2733 14400.6147 255.7566 -203847.4980 2822.3199 0.0000 0.0000 52303.7084 -109724.5701 300.5901 -162028.2785 -109363.0576 299.2886 70.2320 97.3386 761148.0314 -6.6047 -6.6842 PRESSURE: 3271400 -193.809 7.81776 81.2233 7.81757 287.146 -15.172 81.2227 -15.1725 -117.291 GPRESSURE: 3271400 -137.692 44.3447 121.398 1.2512 214.39 -0.0207304 93.9899 21.8871 -12.6261 PRESSAVG: 3271400 54.6113 -24.6694 24.7322 -24.6694 0.742317 23.7188 24.7322 23.7188 -15.4617 GPRESSAVG: 3271400 54.9751 -23.0846 23.1199 -22.5388 0.798207 23.6053 25.5527 23.3454 -15.2342 TIMING: 3271400 CPU: 10396.7, 0.00310766/step Wall: 10396.7, 0.00310766/step, 1.49219 hours remaining, 236.156250 MB of memory in use. ENERGY: 3271400 3975.0500 20376.5716 14515.9049 228.1673 -203694.2469 2574.1436 0.0000 0.0000 52105.4367 -109918.9729 299.4507 -162024.4096 -109548.0177 298.7071 -7.9845 21.3576 760166.9404 13.2973 13.5130 PRESSURE: 3271600 -35.158 135.979 -94.3014 135.98 -343.327 58.2228 -94.3006 58.2219 150.807 GPRESSURE: 3271600 -114.171 62.7398 -46.2535 40.1607 -187.494 100.764 -115.294 27.7442 147.872 PRESSAVG: 3271600 -2.57329 -12.9269 35.623 -12.9267 41.6977 -11.9955 35.623 -11.9954 -14.8637 GPRESSAVG: 3271600 -0.972294 -13.4673 36.0118 -14.6994 40.5291 -12.6582 34.6027 -12.7279 -15.1819 TIMING: 3271600 CPU: 10397.3, 0.0031085/step Wall: 10397.3, 0.0031085/step, 1.49242 hours remaining, 236.156250 MB of memory in use. ENERGY: 3271600 3939.4956 20532.7090 14472.2137 231.0182 -203652.8355 2691.6110 0.0000 0.0000 52029.4155 -109756.3724 299.0138 -161785.7879 -109401.1852 298.7219 -75.8925 -51.2645 761132.9751 8.0869 8.1250 PRESSURE: 3271800 65.863 71.8631 77.2559 71.8632 -50.8448 157.056 77.2555 157.056 50.5465 GPRESSURE: 3271800 81.7916 60.5357 98.1946 49.5677 -16.9593 98.9007 96.3127 76.5963 95.5958 PRESSAVG: 3271800 -2.90366 -20.0463 24.4408 -20.0463 38.2695 22.7551 24.4408 22.7552 12.2832 GPRESSAVG: 3271800 -4.02803 -21.0343 24.551 -20.4049 41.0429 22.4422 25.2361 23.649 11.1248 TIMING: 3271800 CPU: 10397.9, 0.00313127/step Wall: 10397.9, 0.00313127/step, 1.50318 hours remaining, 236.156250 MB of memory in use. ENERGY: 3271800 3938.6703 20317.6226 14526.6816 241.7459 -202853.7329 2290.2322 0.0000 0.0000 51722.2392 -109816.5411 297.2484 -161538.7803 -109442.4491 298.8184 21.8549 53.4760 761950.2353 15.8830 16.0466 PRESSURE: 3272000 -237.228 -37.7104 -58.8484 -37.7101 -321.034 -26.1435 -58.8482 -26.1437 807.985 GPRESSURE: 3272000 -177.186 43.9348 -18.1321 47.1614 -202.477 -8.26033 24.3868 -35.8785 729.361 PRESSAVG: 3272000 -16.2326 5.71618 24.0499 5.71621 -20.2136 -4.03948 24.0499 -4.03956 9.21328 GPRESSAVG: 3272000 -16.2284 6.6456 24.2374 5.42961 -20.7326 -3.40943 23.8637 -3.88536 10.4439 TIMING: 3272000 CPU: 10398.5, 0.00314735/step Wall: 10398.5, 0.00314735/step, 1.51073 hours remaining, 236.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3272000 3997.7359 20497.3994 14420.0622 219.5941 -202764.8549 2194.6347 0.0000 0.0000 51710.4344 -109724.9943 297.1806 -161435.4286 -109362.4997 298.4853 83.2410 116.5657 761460.7067 -9.0776 -8.8390 PRESSURE: 3272200 140.555 36.1284 -208.408 36.1281 5.69545 -244.851 -208.409 -244.851 225.333 GPRESSURE: 3272200 176.033 82.5704 -210.879 2.37023 4.34755 -281.517 -244.887 -196.312 273.413 PRESSAVG: 3272200 -8.77875 -43.1026 -5.11142 -43.1027 -44.7285 4.65038 -5.11144 4.65035 4.13522 GPRESSAVG: 3272200 -9.76434 -43.7986 -5.51522 -42.4515 -43.588 4.17274 -5.41465 5.92709 4.27735 TIMING: 3272200 CPU: 10399.2, 0.00313429/step Wall: 10399.2, 0.00313429/step, 1.50429 hours remaining, 236.156250 MB of memory in use. ENERGY: 3272200 3960.4109 20463.2047 14464.5362 219.1811 -203582.8638 2701.2753 0.0000 0.0000 52156.8973 -109617.3583 299.7464 -161774.2556 -109258.3863 298.9746 123.8613 151.2644 760163.8239 -16.4573 -16.3583 LDB: ============= START OF LOAD BALANCING ============== 10411.6 LDB: ============== END OF LOAD BALANCING =============== 10411.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.6 LDB: ============= START OF LOAD BALANCING ============== 10411.9 LDB: Largest compute 7031 load 0.029366 is 15.0% of average load 0.195645 LDB: Average compute 0.004342 is 2.2% of average load 0.195645 LDB: TIME 10411.9 LOAD: AVG 0.195645 MAX 0.216319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.82 MB LDB: TIME 10411.9 LOAD: AVG 0.195645 MAX 0.216319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.82 MB LDB: TIME 10411.9 LOAD: AVG 0.195645 MAX 0.216319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.82 MB LDB: ============== END OF LOAD BALANCING =============== 10411.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.9 PRESSURE: 3272400 307.826 -115.594 180.273 -115.594 124.871 -28.6484 180.273 -28.6473 163.585 GPRESSURE: 3272400 317.85 -89.1235 246.666 -128.675 231.354 -181.037 81.5638 -22.6381 145.15 PRESSAVG: 3272400 -6.24354 -30.2735 1.54935 -30.2735 13.8238 -41.1295 1.54939 -41.1295 13.1366 GPRESSAVG: 3272400 -6.47884 -30.2613 0.854572 -29.5874 12.8971 -40.4551 1.78267 -42.6756 14.776 TIMING: 3272400 CPU: 10399.8, 0.00319504/step Wall: 10399.8, 0.00319504/step, 1.53326 hours remaining, 234.261719 MB of memory in use. ENERGY: 3272400 3895.0130 20622.3794 14440.9040 253.7970 -204001.2293 3018.2388 0.0000 0.0000 52143.9038 -109626.9933 299.6717 -161770.8972 -109268.7961 299.0591 198.7608 231.4512 759521.1807 6.9056 7.0648 PRESSURE: 3272600 78.8669 -151.548 -37.4356 -151.548 197.845 -58.2127 -37.4342 -58.2124 -57.084 GPRESSURE: 3272600 188.101 -181.345 1.03467 -236.842 139.001 -79.475 -100.029 -3.61728 -11.5688 PRESSAVG: 3272600 28.528 -40.5361 -9.84916 -40.5362 -6.92617 35.1749 -9.84908 35.1749 -12.0409 GPRESSAVG: 3272600 30.2617 -42.3017 -11.0019 -39.906 -7.85049 34.6085 -10.2432 34.8476 -13.4579 TIMING: 3272600 CPU: 10400.4, 0.00313837/step Wall: 10400.4, 0.00313838/step, 1.5059 hours remaining, 234.531250 MB of memory in use. ENERGY: 3272600 3974.3353 20440.5527 14474.0524 239.4088 -203394.2380 2487.7340 0.0000 0.0000 52237.9243 -109540.2305 300.2121 -161778.1548 -109175.4486 299.5816 73.2093 105.1776 760179.4670 3.1870 2.9844 PRESSURE: 3272800 -82.3575 31.9479 -52.9917 31.9476 -439.056 -203.544 -52.9913 -203.543 438.396 GPRESSURE: 3272800 14.4775 0.75223 -27.9761 50.1283 -434.292 -165.184 10.6972 -136.918 409.314 PRESSAVG: 3272800 43.2855 -68.0451 4.16635 -68.045 -62.4366 -43.7042 4.16639 -43.7042 21.0597 GPRESSAVG: 3272800 41.8242 -66.7015 6.12898 -68.5714 -62.0429 -42.9411 4.14144 -41.1249 22.0684 TIMING: 3272800 CPU: 10401.1, 0.00312974/step Wall: 10401.1, 0.00312974/step, 1.50158 hours remaining, 234.531250 MB of memory in use. ENERGY: 3272800 4050.3871 20600.4062 14445.0556 260.0098 -203533.2430 2607.9630 0.0000 0.0000 51914.8517 -109654.5694 298.3554 -161569.4211 -109295.4155 299.7014 -27.6724 -3.5005 760358.2678 0.6362 0.6166 PRESSURE: 3273000 -280.257 26.8335 84.6938 26.8329 -250.761 -169.182 84.6939 -169.182 -50.2745 GPRESSURE: 3273000 -215.42 51.3818 91.8502 66.0268 -201.167 -251.887 14.1247 -199.593 -68.2781 PRESSAVG: 3273000 7.40498 -78.678 -6.57797 -78.6781 -38.6843 -21.1613 -6.57797 -21.1612 8.61035 GPRESSAVG: 3273000 7.96995 -77.0372 -7.36759 -79.2118 -37.6856 -21.5643 -6.56925 -20.3202 6.5777 TIMING: 3273000 CPU: 10401.7, 0.00315291/step Wall: 10401.7, 0.00315291/step, 1.51252 hours remaining, 234.531250 MB of memory in use. ENERGY: 3273000 4016.0333 20661.0094 14456.0425 254.3534 -203095.7629 2257.2582 0.0000 0.0000 52172.9580 -109278.1080 299.8387 -161451.0661 -108924.7894 299.6984 -193.7640 -161.6218 760569.6836 -7.5563 -7.7127 PRESSURE: 3273200 -240.456 4.79918 -168.867 4.79865 -281.345 279.234 -168.866 279.234 -443.291 GPRESSURE: 3273200 -144.014 77.2285 -149.431 -22.332 -288.732 226.006 -35.4869 176.602 -419.543 PRESSAVG: 3273200 69.9002 30.6666 10.9987 30.6666 -81.6044 7.76908 10.9987 7.7691 8.78382 GPRESSAVG: 3273200 70.3659 30.4829 11.0777 29.3907 -82.1404 7.14982 11.0297 5.40573 9.14139 TIMING: 3273200 CPU: 10402.3, 0.00313704/step Wall: 10402.3, 0.00313704/step, 1.50473 hours remaining, 234.531250 MB of memory in use. ENERGY: 3273200 3995.0622 20422.7962 14467.2984 251.1927 -202813.3104 2368.3060 0.0000 0.0000 52030.6564 -109277.9984 299.0209 -161308.6548 -108918.8395 299.8384 -321.6974 -284.0965 761489.8746 -0.9735 -0.8777 PRESSURE: 3273400 -340.299 44.9913 84.7336 44.9909 -172.84 -79.6243 84.7339 -79.624 -224.943 GPRESSURE: 3273400 -288.988 -47.2823 24.2682 -18.9449 -159.993 -102.959 -46.6336 -198.543 -201.536 PRESSAVG: 3273400 53.8254 -21.5313 -5.00753 -21.5313 -39.6608 -7.78907 -5.00747 -7.78906 5.62335 GPRESSAVG: 3273400 52.7663 -22.3569 -4.0827 -20.0568 -38.7755 -5.10334 -7.74683 -11.1378 5.97973 TIMING: 3273400 CPU: 10402.9, 0.00314872/step Wall: 10402.9, 0.00314872/step, 1.51016 hours remaining, 234.531250 MB of memory in use. ENERGY: 3273400 4046.0807 20442.7218 14421.8965 274.9330 -202813.0074 2247.8166 0.0000 0.0000 52266.1749 -109113.3841 300.3744 -161379.5589 -108744.7413 300.0197 -246.0275 -216.8390 761144.3550 6.5960 6.6569 PRESSURE: 3273600 -51.9227 -79.304 -30.9342 -79.3029 -172.863 -307.126 -30.9344 -307.125 -312.626 GPRESSURE: 3273600 174.628 -28.5948 4.65404 -78.5608 -285.119 -243.066 -113.085 -348.984 -345.094 PRESSAVG: 3273600 56.9848 -20.0422 -13.9145 -20.0422 -60.7744 -11.8444 -13.9145 -11.8444 -24.4921 GPRESSAVG: 3273600 58.6359 -20.17 -13.5734 -21.4992 -61.9699 -14.4097 -11.9757 -8.08126 -25.639 TIMING: 3273600 CPU: 10403.6, 0.00314985/step Wall: 10403.6, 0.00314985/step, 1.51053 hours remaining, 234.531250 MB of memory in use. ENERGY: 3273600 4037.0404 20399.9780 14384.6992 247.1299 -202678.1583 2245.1037 0.0000 0.0000 52332.6550 -109031.5521 300.7565 -161364.2071 -108664.1538 299.8774 -179.1375 -151.8616 761962.2914 -9.4272 -9.6577 PRESSURE: 3273800 297.257 51.6868 24.018 51.6872 2.30557 -39.6621 24.0167 -39.6625 101.407 GPRESSURE: 3273800 378.412 101.824 -5.61368 167.149 60.7581 31.4483 -56.3053 -71.9709 43.3532 PRESSAVG: 3273800 74.5908 -8.38269 43.399 -8.38274 -127.623 15.1187 43.399 15.1187 6.76998 GPRESSAVG: 3273800 74.137 -9.58094 42.7634 -6.17214 -127.273 16.9539 44.3801 14.7469 7.32664 TIMING: 3273800 CPU: 10404.2, 0.00313206/step Wall: 10404.2, 0.00313206/step, 1.50182 hours remaining, 234.531250 MB of memory in use. ENERGY: 3273800 3957.4662 20472.7000 14416.1239 235.7041 -202814.4192 2533.2498 0.0000 0.0000 52164.2377 -109034.9375 299.7886 -161199.1752 -108671.7312 300.0927 133.6565 160.8411 763415.5816 -15.4206 -15.2697 PRESSURE: 3274000 267.1 25.541 -25.2438 25.5396 -76.7164 284.997 -25.2439 284.996 222.133 GPRESSURE: 3274000 185.15 89.2768 -56.1965 47.8558 30.6996 321.994 -48.0879 254.412 273.018 PRESSAVG: 3274000 -7.97813 30.5249 -1.14414 30.5248 17.2136 36.6791 -1.14411 36.679 -10.0815 GPRESSAVG: 3274000 -9.35029 32.3039 -2.83185 28.554 17.3565 34.7577 -0.34383 38.0789 -9.31234 TIMING: 3274000 CPU: 10404.8, 0.00314835/step Wall: 10404.8, 0.00314835/step, 1.50946 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3274000 3898.9580 20528.8921 14382.2244 258.6854 -203346.6505 2775.6189 0.0000 0.0000 52408.5081 -109093.7634 301.1924 -161502.2716 -108727.2430 299.6437 137.5056 162.9558 762104.9009 -0.2820 -0.4354 PRESSURE: 3274200 -84.9979 -75.8774 -7.19828 -75.8777 78.1049 32.6592 -7.19844 32.66 -237.422 GPRESSURE: 3274200 -75.4385 -87.6416 -28.123 -101.399 27.4362 48.5122 -129.403 -28.5492 -112.376 PRESSAVG: 3274200 45.7044 -6.6906 -3.4509 -6.69056 -43.468 45.4473 -3.45096 45.4472 17.8146 GPRESSAVG: 3274200 47.087 -6.2858 -4.14287 -5.77546 -44.87 47.0988 -2.94825 43.7977 17.6683 TIMING: 3274200 CPU: 10405.5, 0.00313905/step Wall: 10405.5, 0.00313905/step, 1.50483 hours remaining, 234.531250 MB of memory in use. ENERGY: 3274200 3979.1050 20600.2793 14468.3614 242.3789 -203662.5043 2781.3579 0.0000 0.0000 52556.1530 -109034.8687 302.0409 -161591.0217 -108678.1189 300.4056 -81.4382 -53.4594 762717.6026 6.6837 6.6285 PRESSURE: 3274400 -56.5208 250.533 74.7717 250.533 -413.025 -278.582 74.7722 -278.581 -108.323 GPRESSURE: 3274400 52.0843 115.694 87.9096 75.6849 -400.15 -194.716 -52.2213 -133.112 -145.933 PRESSAVG: 3274400 73.2355 -17.4726 11.8159 -17.4726 -55.0346 -49.2768 11.816 -49.2766 -16.9242 GPRESSAVG: 3274400 72.1964 -20.8549 14.2612 -16.7448 -54.9148 -50.3702 8.12543 -48.6612 -15.8024 TIMING: 3274400 CPU: 10406.1, 0.0031197/step Wall: 10406.1, 0.0031197/step, 1.49537 hours remaining, 234.531250 MB of memory in use. ENERGY: 3274400 3931.8782 20484.5421 14415.8966 234.0075 -203078.3977 2401.9490 0.0000 0.0000 52258.3128 -109351.8115 300.3292 -161610.1243 -108988.1317 299.6806 -192.6227 -164.6665 762792.9814 0.4256 0.4931 PRESSURE: 3274600 -29.7271 91.1406 -241.258 91.1401 -397.441 -199.921 -241.258 -199.92 -45.3424 GPRESSURE: 3274600 15.3701 21.0759 -264.024 -17.9284 -323.291 -278.709 -193.78 -124.258 -64.523 PRESSAVG: 3274600 50.9017 -7.72922 -23.4757 -7.72927 -11.0694 -37.0649 -23.4757 -37.0648 -15.8897 GPRESSAVG: 3274600 52.1759 -5.81752 -26.7026 -9.07766 -12.0307 -37.7544 -19.6044 -37.6105 -16.4127 TIMING: 3274600 CPU: 10406.7, 0.00312143/step Wall: 10406.7, 0.00312143/step, 1.49603 hours remaining, 234.531250 MB of memory in use. ENERGY: 3274600 4022.1581 20603.0522 14473.8441 226.3478 -202848.3916 2064.2369 0.0000 0.0000 52022.4933 -109436.2592 298.9740 -161458.7524 -109080.3690 299.4162 -157.5037 -124.1480 761372.8897 7.9809 7.9108 PRESSURE: 3274800 -98.4142 -291.882 24.3704 -291.882 -165.865 -20.1111 24.3712 -20.1121 -216.917 GPRESSURE: 3274800 -110.468 -203.977 -65.4653 -274.11 -72.6953 -19.8776 -13.8132 -89.0871 -198.269 PRESSAVG: 3274800 -11.6743 43.9763 -43.3387 43.9763 11.884 17.697 -43.3387 17.697 -6.73234 GPRESSAVG: 3274800 -11.976 44.1995 -40.9218 45.1299 12.0295 19.5206 -44.7906 19.0077 -6.81126 TIMING: 3274800 CPU: 10407.3, 0.00313775/step Wall: 10407.3, 0.00313775/step, 1.50368 hours remaining, 234.531250 MB of memory in use. ENERGY: 3274800 3970.4488 20589.4523 14451.7335 249.2302 -202789.8010 2335.8663 0.0000 0.0000 52061.6076 -109131.4622 299.1988 -161193.0698 -108759.2144 299.9072 -160.3988 -127.1443 762406.6450 -2.1742 -2.2526 PRESSURE: 3275000 168.222 30.8553 -55.8631 30.8551 -89.8449 170.447 -55.8635 170.448 7.25975 GPRESSURE: 3275000 187.699 43.3188 -43.8404 -114.221 3.56442 94.2245 -44.1327 178.757 -19.3248 PRESSAVG: 3275000 59.6525 -32.2491 10.2118 -32.2491 -30.2726 -24.4649 10.2116 -24.4648 -19.0921 GPRESSAVG: 3275000 58.5284 -31.6111 9.75121 -34.2225 -28.3359 -24.9963 13.3821 -25.0658 -19.5091 TIMING: 3275000 CPU: 10408, 0.00314121/step Wall: 10408, 0.00314121/step, 1.50516 hours remaining, 234.531250 MB of memory in use. ENERGY: 3275000 3915.1363 20551.5475 14491.7484 236.3756 -203041.2475 2568.3459 0.0000 0.0000 52156.7861 -109121.3077 299.7458 -161278.0938 -108762.8519 299.3248 28.5455 57.3129 762021.4965 3.4293 3.5611 PRESSURE: 3275200 -8.04511 -23.3106 -45.9106 -23.3106 548.319 -129.482 -45.9104 -129.482 323.765 GPRESSURE: 3275200 96.752 91.5249 -73.2843 -73.8301 485.786 -147.084 -85.2174 8.77088 374.508 PRESSAVG: 3275200 -14.0302 -65.913 -38.5347 -65.913 4.84626 67.4701 -38.5346 67.4701 27.5384 GPRESSAVG: 3275200 -13.1503 -65.783 -39.2491 -66.348 3.98777 67.3419 -41.4129 66.9937 27.8785 TIMING: 3275200 CPU: 10408.6, 0.00313613/step Wall: 10408.6, 0.00313613/step, 1.50256 hours remaining, 234.531250 MB of memory in use. ENERGY: 3275200 3961.0615 20629.2184 14582.3599 238.4995 -203466.1915 3029.5426 0.0000 0.0000 51765.6105 -109259.8990 297.4977 -161025.5095 -108898.1123 299.8677 288.0133 319.0152 761997.0903 6.1181 6.2387 PRESSURE: 3275400 158.994 -134.357 152.503 -134.357 -13.7971 -109.538 152.503 -109.538 -66.5245 GPRESSURE: 3275400 142.661 -204.858 202.55 -154.023 79.1435 -118.136 95.4934 -42.2695 -41.2777 PRESSAVG: 3275400 22.4399 -6.99953 35.0204 -6.99955 19.6407 70.5177 35.0204 70.5177 -5.99978 GPRESSAVG: 3275400 21.1762 -7.38657 35.6292 -7.78174 20.2904 70.0189 35.1878 69.5984 -4.5206 TIMING: 3275400 CPU: 10409.2, 0.00315321/step Wall: 10409.2, 0.00315321/step, 1.51056 hours remaining, 234.531250 MB of memory in use. ENERGY: 3275400 4047.7920 20682.1906 14456.4146 246.3904 -202963.1226 2578.2090 0.0000 0.0000 51930.2457 -109021.8803 298.4438 -160952.1260 -108660.5604 299.8323 26.2243 60.1756 762042.8882 12.0270 12.3153 PRESSURE: 3275600 -386.917 202.285 -110.815 202.284 -174.919 -10.0346 -110.815 -10.0344 -159.849 GPRESSURE: 3275600 -301.218 179.349 -181.341 208.414 -201.573 -140.144 -27.0328 147.343 -131.558 PRESSAVG: 3275600 -23.3785 -62.4267 40.8669 -62.4266 -22.0505 -12.4695 40.8669 -12.4694 4.82443 GPRESSAVG: 3275600 -22.0076 -61.8822 42.6754 -60.6942 -21.4912 -13.0158 42.2645 -8.98793 2.11383 TIMING: 3275600 CPU: 10409.8, 0.00312154/step Wall: 10409.8, 0.00312154/step, 1.49522 hours remaining, 234.531250 MB of memory in use. ENERGY: 3275600 3951.5330 20529.0050 14470.0301 250.8802 -202919.6058 2345.5879 0.0000 0.0000 52107.7365 -109264.8332 299.4639 -161372.5697 -108896.4665 300.0466 -240.5613 -211.4497 763786.5408 -13.5349 -13.7950 PRESSURE: 3275800 413.861 -353.485 -5.55875 -353.484 144.981 209.203 -5.55887 209.202 -102.893 GPRESSURE: 3275800 519.338 -303.66 -54.934 -294.366 158.544 182.953 39.2069 59.7479 -136.485 PRESSAVG: 3275800 58.5289 -3.0555 38.0088 -3.05549 -53.9077 16.6965 38.0088 16.6965 -23.345 GPRESSAVG: 3275800 57.8289 -1.49236 35.5187 -4.96469 -54.3516 17.9978 37.3119 14.6485 -22.3779 TIMING: 3275800 CPU: 10410.5, 0.00314571/step Wall: 10410.5, 0.00314571/step, 1.50662 hours remaining, 234.531250 MB of memory in use. ENERGY: 3275800 3961.9099 20517.0247 14419.6958 261.6873 -203264.1363 2728.7495 0.0000 0.0000 52111.2902 -109263.7790 299.4843 -161375.0692 -108908.2111 300.0664 151.9832 180.4656 761845.7650 -6.2413 -6.3002 PRESSURE: 3276000 -499.713 -107.455 104.325 -107.454 -286.08 -44.1656 104.326 -44.1671 -94.1789 GPRESSURE: 3276000 -510.461 -60.3597 123.456 -16.6521 -212.735 -137.865 63.7079 21.9953 -69.6263 PRESSAVG: 3276000 -20.1562 -13.2147 13.7452 -13.2147 44.4421 -5.55934 13.7452 -5.55937 -22.4566 GPRESSAVG: 3276000 -19.6995 -15.4539 12.9403 -10.2539 44.3775 -6.74948 13.7252 -5.27103 -22.9219 TIMING: 3276000 CPU: 10411.1, 0.00313655/step Wall: 10411.1, 0.00313655/step, 1.50206 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3276000 3896.3261 20548.5816 14365.7866 247.9934 -203028.1533 2417.8497 0.0000 0.0000 52294.4470 -109257.1689 300.5369 -161551.6159 -108875.8402 300.3125 -293.3239 -264.2742 763515.8135 0.6098 0.5854 PRESSURE: 3276200 0.789185 76.2866 -130.349 76.2862 -216.847 23.8298 -130.348 23.8296 -447.734 GPRESSURE: 3276200 104.647 -6.91032 -157.18 85.9551 -234.184 43.6793 11.9279 59.4225 -469.298 PRESSAVG: 3276200 20.9585 11.9218 74.3491 11.9218 -18.0598 27.9279 74.3491 27.928 16.9987 GPRESSAVG: 3276200 19.6218 10.5945 76.2412 11.6409 -17.6702 28.169 74.7612 27.87 17.4211 TIMING: 3276200 CPU: 10411.7, 0.00312597/step Wall: 10411.7, 0.00312597/step, 1.49682 hours remaining, 234.531250 MB of memory in use. ENERGY: 3276200 4024.2621 20647.5235 14399.3107 241.3323 -203387.1957 2714.3439 0.0000 0.0000 51949.2721 -109411.1511 298.5532 -161360.4232 -109051.4625 299.4849 -221.2641 -199.6116 762935.3369 6.6325 6.4576 LDB: ============= START OF LOAD BALANCING ============== 10424.1 LDB: ============== END OF LOAD BALANCING =============== 10424.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.1 LDB: ============= START OF LOAD BALANCING ============== 10424.5 LDB: Largest compute 7069 load 0.030833 is 15.8% of average load 0.195543 LDB: Average compute 0.004351 is 2.2% of average load 0.195543 LDB: TIME 10424.5 LOAD: AVG 0.195543 MAX 0.214275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.109 MB LDB: TIME 10424.5 LOAD: AVG 0.195543 MAX 0.214275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: TIME 10424.5 LOAD: AVG 0.195543 MAX 0.214275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.109 MB LDB: ============== END OF LOAD BALANCING =============== 10424.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.5 PRESSURE: 3276400 -87.0346 110.852 -53.6044 110.853 138.231 -149.575 -53.6041 -149.575 -2.51488 GPRESSURE: 3276400 27.4346 155.184 -74.9416 206.009 79.1805 -193.198 -6.36233 -167.827 6.9464 PRESSAVG: 3276400 16.8812 1.23642 -29.3803 1.23648 8.11925 -59.7797 -29.3803 -59.7798 -18.7094 GPRESSAVG: 3276400 16.8163 2.49071 -29.807 -1.67067 7.55028 -60.6206 -28.5898 -60.9066 -18.3329 TIMING: 3276400 CPU: 10412.4, 0.00321138/step Wall: 10412.4, 0.00321138/step, 1.53754 hours remaining, 232.070312 MB of memory in use. ENERGY: 3276400 4066.3628 20566.2271 14430.8207 220.3537 -203266.9867 2491.9349 0.0000 0.0000 52031.0395 -109460.2482 299.0231 -161491.2876 -109098.3490 299.5010 16.2273 37.8538 761632.4648 2.0970 2.0112 PRESSURE: 3276600 -11.4125 -68.3034 -134.317 -68.3031 -34.1842 -49.3121 -134.316 -49.312 -467.397 GPRESSURE: 3276600 -14.9265 44.828 -96.0706 -92.1235 34.1814 -51.9667 -124.368 -30.7598 -464.02 PRESSAVG: 3276600 37.2087 39.6686 10.3285 39.6687 -25.677 -21.2865 10.3285 -21.2865 -9.90229 GPRESSAVG: 3276600 38.1582 41.3946 11.7531 40.8756 -25.6825 -19.4062 9.56231 -20.3645 -10.7008 TIMING: 3276600 CPU: 10413, 0.00314437/step Wall: 10413, 0.00314437/step, 1.50528 hours remaining, 232.070312 MB of memory in use. ENERGY: 3276600 3971.5431 20420.9886 14396.1670 220.3506 -203206.5692 2524.4356 0.0000 0.0000 52233.8687 -109439.2156 300.1888 -161673.0843 -109071.2257 300.1958 -170.9980 -148.2551 762467.4428 0.5431 0.5916 PRESSURE: 3276800 -169.903 43.3504 164.438 43.3503 -404.251 225.397 164.439 225.397 -346.379 GPRESSURE: 3276800 -87.3582 20.7062 104.873 1.88956 -400.119 211.219 88.9976 308.105 -342.764 PRESSAVG: 3276800 -13.5763 45.5988 26.0768 45.5988 20.3849 15.7508 26.0768 15.7509 1.21778 GPRESSAVG: 3276800 -14.526 45.73 22.8014 46.8955 20.5474 14.6566 25.9102 14.6471 1.67045 TIMING: 3276800 CPU: 10413.6, 0.00312835/step Wall: 10413.6, 0.00312835/step, 1.49744 hours remaining, 232.070312 MB of memory in use. ENERGY: 3276800 4011.3701 20525.7386 14483.9372 229.7311 -203249.5669 2390.6062 0.0000 0.0000 52151.2237 -109456.9599 299.7138 -161608.1836 -109078.9568 299.2513 -306.8443 -276.7471 762794.3259 2.6755 2.5640 PRESSURE: 3277000 -441.871 111.127 10.4026 111.127 -89.1105 -5.4348 10.4024 -5.43454 127.438 GPRESSURE: 3277000 -240.591 74.7205 -101.856 76.2214 -121.453 110.012 -22.9148 62.9256 73.3151 PRESSAVG: 3277000 -36.0296 27.6007 -34.1757 27.6007 28.5819 29.7968 -34.1756 29.7969 11.2297 GPRESSAVG: 3277000 -35.5907 25.1338 -33.7815 27.182 28.3643 30.5593 -33.0416 32.0398 11.2229 TIMING: 3277000 CPU: 10414.2, 0.0031375/step Wall: 10414.2, 0.0031375/step, 1.50164 hours remaining, 232.070312 MB of memory in use. ENERGY: 3277000 4014.0552 20363.0551 14428.9706 248.4347 -203294.6828 2641.2016 0.0000 0.0000 52109.5709 -109489.3945 299.4744 -161598.9655 -109104.3500 298.6993 -134.5145 -96.2429 764813.0639 1.2607 1.3322 PRESSURE: 3277200 30.9915 111.916 83.6575 111.916 -217.657 -54.0543 83.6572 -54.0555 -6.82115 GPRESSURE: 3277200 -96.1492 132.625 42.789 84.5591 -41.8327 -19.1987 62.8926 -142.293 37.081 PRESSAVG: 3277200 7.82352 37.5881 -0.254331 37.5881 2.93375 78.3139 -0.254347 78.3139 6.17287 GPRESSAVG: 3277200 6.2913 37.3721 0.289782 38.807 3.93444 79.5002 -1.93067 75.3358 6.57206 TIMING: 3277200 CPU: 10414.9, 0.00315523/step Wall: 10414.9, 0.00315523/step, 1.50995 hours remaining, 232.070312 MB of memory in use. ENERGY: 3277200 3994.0639 20516.5505 14457.3284 242.8221 -203120.1705 2309.9023 0.0000 0.0000 52149.3402 -109450.1632 299.7030 -161599.5034 -109089.8064 299.3841 -64.4956 -33.6337 760540.0295 5.6434 5.5993 PRESSURE: 3277400 235.534 -129.358 -64.1702 -129.36 -47.0023 35.6603 -64.1699 35.6597 142.505 GPRESSURE: 3277400 316.537 -80.2734 -65.6569 -149.942 -83.3176 -31.5394 -49.0516 -16.5412 167.572 PRESSAVG: 3277400 45.9758 25.3194 -17.2474 25.3194 -9.18396 -59.6341 -17.2473 -59.6341 10.7303 GPRESSAVG: 3277400 45.7415 26.5853 -17.3867 22.6039 -8.80782 -62.2914 -17.2177 -56.7085 9.96657 TIMING: 3277400 CPU: 10415.5, 0.00312912/step Wall: 10415.5, 0.00312913/step, 1.49729 hours remaining, 232.070312 MB of memory in use. ENERGY: 3277400 3925.9396 20546.9102 14529.1140 236.7986 -203393.8782 2541.1494 0.0000 0.0000 52096.8928 -109517.0736 299.4016 -161613.9664 -109146.6378 299.7101 110.3456 133.5970 761384.2810 15.8407 15.6334 PRESSURE: 3277600 -461.092 -244.156 128.638 -244.157 -181.45 182.197 128.638 182.196 -216.199 GPRESSURE: 3277600 -385.919 -134.37 162.431 -221.444 -166.857 132.723 21.3115 213.772 -212.43 PRESSAVG: 3277600 -14.1812 -25.1173 9.78769 -25.1173 11.1961 -21.7906 9.78765 -21.7905 7.83548 GPRESSAVG: 3277600 -12.577 -25.0849 9.84085 -23.8416 10.1551 -20.1814 10.7378 -24.8753 6.97952 TIMING: 3277600 CPU: 10416.1, 0.00312664/step Wall: 10416.1, 0.00312664/step, 1.49592 hours remaining, 232.070312 MB of memory in use. ENERGY: 3277600 4001.1517 20410.2494 14475.2897 243.6649 -203273.2431 2377.5855 0.0000 0.0000 51870.8522 -109894.4498 298.1025 -161765.3020 -109525.1541 298.3899 -286.2471 -255.0689 760701.8641 1.6168 1.5192 PRESSURE: 3277800 -61.3122 277.3 14.1586 277.299 -331.32 21.1265 14.1583 21.1265 -281.869 GPRESSURE: 3277800 -13.8107 185.718 -44.7048 259.237 -308.676 -2.68134 -95.5089 90.6072 -259.738 PRESSAVG: 3277800 3.9811 -8.70912 1.85167 -8.70921 35.159 4.16323 1.85164 4.16337 -12.4218 GPRESSAVG: 3277800 4.16554 -11.2066 1.44665 -6.7453 34.5484 4.1457 1.02802 6.71041 -11.3966 TIMING: 3277800 CPU: 10416.8, 0.00313371/step Wall: 10416.8, 0.00313371/step, 1.49913 hours remaining, 232.070312 MB of memory in use. ENERGY: 3277800 3919.4809 20604.7805 14506.5268 245.8508 -203178.5789 2064.2572 0.0000 0.0000 52112.5775 -109725.1053 299.4917 -161837.6828 -109362.0874 298.5009 -224.8336 -194.0749 761253.3193 8.9061 9.1058 PRESSURE: 3278000 104.927 -120.9 -48.6966 -120.9 -100.14 -148.955 -48.6964 -148.954 73.51 GPRESSURE: 3278000 53.1335 -3.85678 -106.506 -93.6239 -17.6079 -151.048 19.8308 -136.79 122.756 PRESSAVG: 3278000 5.09008 2.16423 8.44455 2.16424 13.9449 31.5276 8.44454 31.5275 19.3959 GPRESSAVG: 3278000 3.90649 5.4241 8.83183 0.818318 14.4767 31.6498 5.96664 28.7907 19.8337 TIMING: 3278000 CPU: 10417.4, 0.0031341/step Wall: 10417.4, 0.0031341/step, 1.49915 hours remaining, 232.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 4048.5280 20427.6945 14464.1345 238.7113 -203040.3143 2395.2214 0.0000 0.0000 51837.6202 -109628.4044 297.9115 -161466.0246 -109271.9127 299.2057 26.0989 52.7606 761674.2742 12.8103 12.7390 PRESSURE: 3278200 8.01081 265.25 110.35 265.25 -14.3514 180.35 110.35 180.349 -176.276 GPRESSURE: 3278200 81.2375 336.667 148.345 129.25 -14.5099 139.616 -0.13467 210.356 -179.281 PRESSAVG: 3278200 31.6844 4.88388 -12.5611 4.88392 -15.7894 19.0405 -12.5611 19.0405 -17.9428 GPRESSAVG: 3278200 32.3362 3.54316 -12.5142 5.80623 -15.5965 17.777 -11.0582 22.0444 -18.7823 TIMING: 3278200 CPU: 10418, 0.0031271/step Wall: 10418, 0.0031271/step, 1.49562 hours remaining, 232.070312 MB of memory in use. ENERGY: 3278200 4039.7518 20361.9860 14452.5921 246.9361 -203449.0953 2591.0828 0.0000 0.0000 52051.2583 -109705.4882 299.1393 -161756.7465 -109335.9275 298.8007 -60.8723 -37.5178 762125.5638 -0.6826 -0.6809 PRESSURE: 3278400 -11.7162 173.913 102.003 173.913 -479.172 1.51122 102.004 1.51064 151.043 GPRESSURE: 3278400 21.7853 122.592 147.852 78.2894 -371.567 69.9259 16.7293 -126.337 113.731 PRESSAVG: 3278400 -5.97991 -33.0101 -0.241751 -33.01 2.80141 44.4385 -0.241729 44.4385 17.8753 GPRESSAVG: 3278400 -5.74694 -33.048 0.615133 -34.1847 2.18109 43.9658 -1.84615 45.7863 18.2378 TIMING: 3278400 CPU: 10418.6, 0.00311874/step Wall: 10418.6, 0.00311874/step, 1.49145 hours remaining, 232.070312 MB of memory in use. ENERGY: 3278400 3967.6067 20374.1724 14448.2642 283.7067 -203186.9408 2356.9892 0.0000 0.0000 52047.8700 -109708.3317 299.1198 -161756.2016 -109353.3290 298.1401 -113.2817 -78.6834 761629.9044 4.8989 4.8907 PRESSURE: 3278600 -152.74 -217.347 -294.107 -217.347 86.8929 212.923 -294.108 212.924 101.42 GPRESSURE: 3278600 -139.084 -260.724 -361.243 -101.135 183.688 178.375 -130.768 79.5591 87.2966 PRESSAVG: 3278600 36.2161 5.09692 30.8498 5.09693 -32.0737 -4.34098 30.8498 -4.34091 21.1407 GPRESSAVG: 3278600 35.9855 6.41655 30.2557 6.39076 -31.1792 -4.57697 33.8115 -6.05441 20.3121 TIMING: 3278600 CPU: 10419.3, 0.00310674/step Wall: 10419.3, 0.00310674/step, 1.48554 hours remaining, 232.070312 MB of memory in use. ENERGY: 3278600 3921.1057 20368.1650 14454.1302 232.5335 -203311.4345 2512.1235 0.0000 0.0000 51983.6725 -109839.7041 298.7509 -161823.3767 -109472.4730 298.6254 11.8578 43.9671 760026.4346 8.4277 8.3728 PRESSURE: 3278800 1.72132 -199.018 17.9913 -199.018 -55.7735 -193.918 17.9911 -193.916 138.208 GPRESSURE: 3278800 -38.4922 -68.4359 73.9917 -137.152 -42.5351 -166.865 41.296 -190.313 268.72 PRESSAVG: 3278800 49.7933 -55.9945 64.7725 -55.9945 -72.5528 -17.7633 64.7726 -17.7632 21.0279 GPRESSAVG: 3278800 49.2619 -58.6778 65.3342 -57.6054 -73.1374 -15.3717 64.2893 -19.2524 21.6358 TIMING: 3278800 CPU: 10419.9, 0.00311382/step Wall: 10419.9, 0.00311382/step, 1.48875 hours remaining, 232.070312 MB of memory in use. ENERGY: 3278800 4007.2054 20426.7908 14439.7286 240.2005 -203366.7315 2592.5535 0.0000 0.0000 51776.0126 -109884.2401 297.5575 -161660.2527 -109515.6675 298.6366 28.0521 62.5641 759582.4222 -0.5772 -0.7466 PRESSURE: 3279000 -393.472 -17.9823 52.8709 -17.982 201.388 -231.971 52.8719 -231.971 -88.0198 GPRESSURE: 3279000 -320.192 25.3634 -29.1108 97.1732 128.521 -246.719 184.096 -154.091 -2.15723 PRESSAVG: 3279000 -43.0522 -45.0512 26.0896 -45.0512 38.5387 -39.212 26.0896 -39.212 -26.4763 GPRESSAVG: 3279000 -42.553 -44.6012 27.7424 -44.0989 37.6364 -39.9435 25.5741 -37.4876 -26.7212 TIMING: 3279000 CPU: 10420.5, 0.00311922/step Wall: 10420.5, 0.00311922/step, 1.49116 hours remaining, 232.070312 MB of memory in use. ENERGY: 3279000 3976.6204 20523.2367 14585.1626 238.8384 -203403.0238 2287.8595 0.0000 0.0000 52074.5416 -109716.7647 299.2731 -161791.3063 -109350.3522 298.4975 -93.3679 -64.6097 759841.1979 -10.3299 -10.5460 PRESSURE: 3279200 42.2498 -222.587 69.1193 -222.587 -518.666 -36.2531 69.1194 -36.2542 -469.387 GPRESSURE: 3279200 53.2182 -100.636 -30.9844 -271.897 -448.06 -21.1249 56.3544 -62.7043 -473.437 PRESSAVG: 3279200 -11.1959 -61.8334 17.5944 -61.8333 6.21917 2.46448 17.5944 2.46447 9.36871 GPRESSAVG: 3279200 -10.4849 -60.2739 15.2646 -62.2713 5.30713 3.29775 18.9208 3.06194 9.30942 TIMING: 3279200 CPU: 10421.1, 0.00312533/step Wall: 10421.1, 0.00312533/step, 1.49391 hours remaining, 232.070312 MB of memory in use. ENERGY: 3279200 3974.0940 20462.7455 14507.4344 260.0629 -202782.8267 2018.3239 0.0000 0.0000 51979.1963 -109580.9695 298.7252 -161560.1658 -109214.5008 299.1117 -315.2678 -289.4261 761362.1544 1.4640 1.3772 PRESSURE: 3279400 -381.089 127.316 19.5673 127.316 -135.92 80.5597 19.567 80.5602 -174.156 GPRESSURE: 3279400 -241.738 146.642 82.93 85.0446 -134.239 73.8181 -89.2641 39.7111 -237.228 PRESSAVG: 3279400 11.8487 17.1125 46.8712 17.1124 -5.99115 -33.3953 46.8712 -33.3954 2.8176 GPRESSAVG: 3279400 10.4858 17.1854 46.6355 17.7096 -4.65552 -34.3865 46.4307 -33.7114 2.72934 TIMING: 3279400 CPU: 10421.8, 0.00311815/step Wall: 10421.8, 0.00311815/step, 1.4903 hours remaining, 232.070312 MB of memory in use. ENERGY: 3279400 4038.4486 20515.6122 14506.9254 256.9491 -203185.4714 2306.4708 0.0000 0.0000 52011.5903 -109549.4751 298.9113 -161561.0654 -109183.8830 298.9138 -230.3881 -204.4017 760806.2029 2.8917 2.8532 PRESSURE: 3279600 -509.809 -32.4441 179.299 -32.4437 -245.056 -18.5736 179.3 -18.5738 -225.841 GPRESSURE: 3279600 -331.045 20.9561 138.345 132.475 -276.304 2.62879 258.984 75.0486 -279.367 PRESSAVG: 3279600 -49.0624 -30.4571 43.3519 -30.457 23.5837 28.2081 43.3518 28.2081 7.72273 GPRESSAVG: 3279600 -47.9781 -29.2782 44.5346 -30.8572 23.393 28.3325 42.7002 28.5611 6.95243 TIMING: 3279600 CPU: 10422.4, 0.00312599/step Wall: 10422.4, 0.00312599/step, 1.49388 hours remaining, 232.070312 MB of memory in use. ENERGY: 3279600 4004.9392 20364.8018 14494.8213 246.2375 -202977.3546 2173.9348 0.0000 0.0000 52081.5421 -109611.0779 299.3133 -161692.6199 -109241.4281 299.1160 -326.9018 -295.5723 760005.4245 -5.9186 -5.8776 PRESSURE: 3279800 328.239 8.3076 92.4252 8.30764 -473.195 -0.475689 92.4255 -0.474906 226.23 GPRESSURE: 3279800 294.612 -20.2161 84.0383 6.83292 -333.93 -8.4362 38.6493 -42.3492 200.71 PRESSAVG: 3279800 6.03645 -16.2413 -42.65 -16.2413 -25.2833 30.0512 -42.65 30.0512 -4.4958 GPRESSAVG: 3279800 5.16303 -19.0475 -43.7977 -16.9835 -24.8237 30.6518 -41.7824 29.2922 -4.54751 TIMING: 3279800 CPU: 10423, 0.00312857/step Wall: 10423, 0.00312857/step, 1.49493 hours remaining, 232.070312 MB of memory in use. ENERGY: 3279800 3897.0146 20560.4622 14418.0323 226.9061 -202691.8684 2051.9275 0.0000 0.0000 52015.3047 -109522.2211 298.9327 -161537.5257 -109166.9721 299.1322 27.0912 53.7973 758976.8119 -7.9142 -8.0694 PRESSURE: 3280000 -6.3517 -15.831 -370.528 -15.831 96.187 -24.815 -370.527 -24.8148 71.6964 GPRESSURE: 3280000 73.3589 -45.8478 -314.069 -41.2856 188.53 28.5043 -393.013 -22.8945 -15.2838 PRESSAVG: 3280000 34.2262 -20.8184 -24.5744 -20.8185 34.5375 44.9889 -24.5744 44.9889 22.8516 GPRESSAVG: 3280000 34.2452 -19.0695 -24.0728 -21.1323 36.0173 44.816 -24.1193 44.8651 21.9706 TIMING: 3280000 CPU: 10423.6, 0.00312301/step Wall: 10423.6, 0.00312301/step, 1.49211 hours remaining, 232.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3280000 3988.2960 20582.7385 14479.0896 253.2205 -203059.1443 2153.4071 0.0000 0.0000 52060.6670 -109541.7257 299.1934 -161602.3926 -109179.7327 299.3494 53.8439 82.2015 759471.3406 30.5384 30.7443 PRESSURE: 3280200 -322.351 3.49905 90.4145 3.49852 46.4811 285.135 90.4151 285.135 367.088 GPRESSURE: 3280200 -266.349 -106.211 147.039 -37.6595 30.6955 239.139 70.5806 289.343 400.916 PRESSAVG: 3280200 2.50495 -17.1331 17.5285 -17.1331 -4.48852 15.4821 17.5284 15.482 4.43249 GPRESSAVG: 3280200 1.16967 -16.7832 17.9179 -18.0874 -5.66487 14.2071 14.9631 15.3746 5.78927 TIMING: 3280200 CPU: 10424.2, 0.003114/step Wall: 10424.2, 0.003114/step, 1.48763 hours remaining, 232.070312 MB of memory in use. ENERGY: 3280200 3991.0245 20515.0836 14511.3026 246.0705 -203134.5632 2478.4458 0.0000 0.0000 51896.4015 -109496.2348 298.2493 -161392.6363 -109139.4983 299.2316 30.4060 55.0873 760222.4860 0.8163 0.4314 LDB: ============= START OF LOAD BALANCING ============== 10436.7 LDB: ============== END OF LOAD BALANCING =============== 10436.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.7 LDB: ============= START OF LOAD BALANCING ============== 10437 LDB: Largest compute 7069 load 0.030725 is 15.7% of average load 0.195577 LDB: Average compute 0.004341 is 2.2% of average load 0.195577 LDB: TIME 10437 LOAD: AVG 0.195577 MAX 0.21688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.566 MB LDB: TIME 10437 LOAD: AVG 0.195577 MAX 0.21688 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.66 MB LDB: TIME 10437 LOAD: AVG 0.195577 MAX 0.21688 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.66 MB LDB: ============== END OF LOAD BALANCING =============== 10437 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10437 PRESSURE: 3280400 42.4406 -137.062 26.255 -137.061 -514.454 -191.135 26.2555 -191.134 -186.761 GPRESSURE: 3280400 50.1221 -149.407 27.9018 -79.6147 -460.722 -236.31 55.8091 -110.392 -142.274 PRESSAVG: 3280400 29.3319 -71.949 13.3864 -71.949 -28.5348 18.8222 13.3864 18.822 -9.74783 GPRESSAVG: 3280400 29.2847 -72.9329 13.4027 -71.1198 -28.8236 18.7212 14.6032 19.2207 -9.67492 TIMING: 3280400 CPU: 10424.9, 0.00319737/step Wall: 10424.9, 0.00319737/step, 1.52728 hours remaining, 232.792969 MB of memory in use. ENERGY: 3280400 4048.1357 20478.8362 14550.1933 254.5295 -203236.1662 2290.3759 0.0000 0.0000 52106.9077 -109507.1880 299.4591 -161614.0957 -109149.2349 299.7249 -219.5916 -184.2914 759577.8258 -2.9836 -3.0713 PRESSURE: 3280600 264.852 -104.47 -79.1458 -104.469 -8.63487 9.95075 -79.1457 9.95102 -155.727 GPRESSURE: 3280600 260.494 -17.7511 -73.4016 2.55875 1.67844 -26.4111 -23.1043 53.0594 -67.6387 PRESSAVG: 3280600 7.87627 -62.893 29.2307 -62.893 -12.1587 -13.5168 29.2307 -13.5167 -8.5786 GPRESSAVG: 3280600 8.82852 -61.8502 30.0311 -63.3033 -13.3737 -13.1335 30.3083 -13.763 -9.12056 TIMING: 3280600 CPU: 10425.5, 0.00312257/step Wall: 10425.5, 0.00312257/step, 1.49137 hours remaining, 233.050781 MB of memory in use. ENERGY: 3280600 3951.0908 20638.7906 14399.5539 255.7782 -203145.5999 2271.8300 0.0000 0.0000 51982.1981 -109646.3582 298.7424 -161628.5563 -109291.3306 299.3833 33.4966 64.8444 760630.4554 -4.2870 -4.5552 PRESSURE: 3280800 -52.0378 -5.94685 91.5075 -5.9463 -92.5693 115.977 91.5076 115.978 239.931 GPRESSURE: 3280800 -122.327 -40.3104 37.8188 -84.9134 -77.6315 104.124 52.1903 111.681 378.52 PRESSAVG: 3280800 -8.10584 -53.9629 -24.7985 -53.9629 47.8005 11.9013 -24.7985 11.9013 -23.7745 GPRESSAVG: 3280800 -9.07189 -54.1983 -24.0606 -52.4497 48.368 11.5977 -28.1463 14.2959 -23.6723 TIMING: 3280800 CPU: 10426.1, 0.0031022/step Wall: 10426.1, 0.0031022/step, 1.48147 hours remaining, 233.050781 MB of memory in use. ENERGY: 3280800 4043.3788 20409.9402 14506.8404 252.5989 -203988.3554 2864.4977 0.0000 0.0000 52258.2184 -109652.8810 300.3287 -161911.0994 -109290.5570 299.5310 31.7745 59.5205 760331.8518 5.3067 5.2079 PRESSURE: 3281000 -316.813 7.61002 -68.5006 7.61033 -321.159 47.6941 -68.4998 47.6954 137.867 GPRESSURE: 3281000 -337.921 -4.02543 -129.594 0.528096 -181.252 4.91102 -108.628 116.373 108.335 PRESSAVG: 3281000 -22.9244 -44.4444 53.7092 -44.4444 13.796 35.0996 53.7092 35.0996 -1.11189 GPRESSAVG: 3281000 -22.764 -46.8131 51.4141 -42.1827 13.8033 35.3407 56.5933 33.4235 -1.43254 TIMING: 3281000 CPU: 10426.8, 0.00312674/step Wall: 10426.8, 0.00312674/step, 1.49302 hours remaining, 233.050781 MB of memory in use. ENERGY: 3281000 4016.7037 20487.8080 14439.4740 267.0614 -203655.9854 2576.0410 0.0000 0.0000 51974.0677 -109894.8296 298.6957 -161868.8973 -109523.6590 299.1338 -166.7020 -136.9460 760576.5136 -3.4134 -3.4644 PRESSURE: 3281200 238.287 269.356 145.799 269.356 299.376 267.012 145.799 267.012 251.891 GPRESSURE: 3281200 316.962 113.088 76.7813 266.09 314.392 199.501 138.31 311.412 256.806 PRESSAVG: 3281200 12.947 1.06209 16.4475 1.06206 -41.432 8.02603 16.4475 8.02603 3.32357 GPRESSAVG: 3281200 13.0223 1.17263 15.499 -0.7305 -41.3277 5.37917 15.6669 10.5936 3.03318 TIMING: 3281200 CPU: 10427.4, 0.00312188/step Wall: 10427.4, 0.00312188/step, 1.49052 hours remaining, 233.050781 MB of memory in use. ENERGY: 3281200 3948.4842 20341.8800 14423.7779 257.9883 -203724.3483 2663.2676 0.0000 0.0000 52127.9824 -109960.9679 299.5802 -162088.9503 -109594.4269 298.6317 263.1846 296.0534 759831.7429 -8.3871 -8.4241 PRESSURE: 3281400 17.6692 -116.235 -166.084 -116.235 74.105 72.2949 -166.084 72.2937 -204.701 GPRESSURE: 3281400 85.0356 -88.9709 -201.36 -13.8059 86.1294 21.2938 -86.7146 128.375 -192.308 PRESSAVG: 3281400 34.3596 -37.8185 19.807 -37.8185 -36.6199 9.16616 19.807 9.16612 13.4888 GPRESSAVG: 3281400 35.46 -35.665 20.7574 -39.2382 -37.1017 12.8729 21.5158 6.48127 12.9276 TIMING: 3281400 CPU: 10428, 0.00312773/step Wall: 10428, 0.00312773/step, 1.49315 hours remaining, 233.050781 MB of memory in use. ENERGY: 3281400 3932.7918 20345.8497 14413.8966 237.3358 -203645.5658 2487.9159 0.0000 0.0000 52076.7108 -110151.0652 299.2856 -162227.7760 -109789.8190 298.7313 -37.6422 -7.0476 761583.4391 3.7428 3.7620 PRESSURE: 3281600 9.12328 -111.518 37.4301 -111.518 213.298 19.4378 37.4302 19.4373 258.544 GPRESSURE: 3281600 118.484 -144.892 116.894 -97.926 200.452 -47.2439 107.404 -51.5954 262.842 PRESSAVG: 3281600 16.461 -72.3653 -3.84087 -72.3653 -27.2724 14.0809 -3.84088 14.0809 -26.9982 GPRESSAVG: 3281600 15.0953 -72.7192 -1.13047 -70.2483 -26.5031 12.8371 -6.21492 15.387 -26.5385 TIMING: 3281600 CPU: 10428.6, 0.0031317/step Wall: 10428.6, 0.0031317/step, 1.49486 hours remaining, 233.121094 MB of memory in use. ENERGY: 3281600 3921.3596 20307.9826 14419.8429 237.8601 -203357.6220 2590.5443 0.0000 0.0000 51808.6381 -110071.3945 297.7450 -161880.0325 -109714.6796 298.1597 160.3216 193.9260 759537.7152 -12.6032 -12.6488 PRESSURE: 3281800 328.467 -167.463 -85.8596 -167.463 94.3994 -165.452 -85.8601 -165.453 54.5678 GPRESSURE: 3281800 363.236 -16.501 -54.8946 -81.1754 143.451 -215.921 -99.721 -187.797 42.4138 PRESSAVG: 3281800 53.1053 -83.0804 13.0172 -83.0805 -8.99013 -9.21066 13.0171 -9.21064 25.6197 GPRESSAVG: 3281800 53.2691 -81.5236 9.27086 -84.5243 -9.24653 -9.5215 14.7275 -9.35202 25.207 TIMING: 3281800 CPU: 10429.3, 0.00311921/step Wall: 10429.3, 0.00311921/step, 1.48873 hours remaining, 233.121094 MB of memory in use. ENERGY: 3281800 4022.9942 20321.0533 14450.6978 232.3104 -203462.8858 2606.3773 0.0000 0.0000 52037.8996 -109791.5531 299.0625 -161829.4527 -109428.4007 298.3097 159.1448 183.0336 759436.7171 23.2450 23.0765 PRESSURE: 3282000 185.202 137.929 -50.8999 137.929 -102.892 6.98212 -50.9005 6.98199 -333.769 GPRESSURE: 3282000 116.77 111.48 -45.1714 115.144 -18.2251 15.7321 -27.9994 102.144 -278.082 PRESSAVG: 3282000 21.7795 -58.6033 -10.1335 -58.6033 -17.7643 -26.1648 -10.1334 -26.1647 -24.7852 GPRESSAVG: 3282000 23.0272 -61.3104 -9.20941 -56.2847 -19.1881 -25.0887 -9.58748 -27.3247 -24.1907 TIMING: 3282000 CPU: 10429.9, 0.00311834/step Wall: 10429.9, 0.00311834/step, 1.48814 hours remaining, 233.121094 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: 3282000 4017.3855 20447.2598 14469.0736 253.5084 -203430.1300 2439.4316 0.0000 0.0000 52099.9414 -109703.5297 299.4191 -161803.4711 -109343.3629 298.8823 -83.8197 -59.8455 759471.1292 -6.9233 -6.7839 PRESSURE: 3282200 263.493 61.8077 230.278 61.8075 244.957 -60.4238 230.278 -60.4235 460.115 GPRESSURE: 3282200 260.057 48.5051 273.843 38.522 313.582 0.114072 264.706 31.7461 477.113 PRESSAVG: 3282200 30.5817 -58.9357 -1.80473 -58.9357 -44.0853 1.87187 -1.80475 1.87186 -1.58869 GPRESSAVG: 3282200 30.4443 -58.1888 -0.442049 -59.8252 -43.9948 0.275665 -1.82369 3.90565 -1.94679 TIMING: 3282200 CPU: 10430.5, 0.00311777/step Wall: 10430.5, 0.00311777/step, 1.48769 hours remaining, 233.121094 MB of memory in use. ENERGY: 3282200 3891.8125 20385.9723 14484.0987 240.0590 -203255.3059 2405.1751 0.0000 0.0000 52062.2519 -109785.9362 299.2025 -161848.1882 -109432.1310 298.6518 322.8552 350.2505 760085.3652 -5.0308 -5.1658 PRESSURE: 3282400 124.547 154.193 -111.042 154.193 165.299 65.1445 -111.042 65.1449 -213.2 GPRESSURE: 3282400 246.089 -27.1826 -192.532 187.938 199.653 24.3653 -83.4635 29.107 -273.482 PRESSAVG: 3282400 -1.75088 -21.9417 -41.4764 -21.9417 -7.13164 17.5049 -41.4765 17.5049 -3.09029 GPRESSAVG: 3282400 -2.69692 -23.0267 -43.0251 -22.5563 -5.92549 19.4178 -41.0472 14.9606 -3.28648 TIMING: 3282400 CPU: 10431.1, 0.00313206/step Wall: 10431.1, 0.00313206/step, 1.49434 hours remaining, 233.121094 MB of memory in use. ENERGY: 3282400 3998.2470 20368.9766 14356.1117 253.0263 -203531.9729 2639.4497 0.0000 0.0000 51993.3704 -109922.7913 298.8066 -161916.1616 -109552.3879 298.7404 25.5487 57.4198 758909.1638 -3.9909 -3.9696 PRESSURE: 3282600 463.917 170.827 -95.6687 170.828 158.722 -226.959 -95.6685 -226.96 -23.3702 GPRESSURE: 3282600 395.053 179.393 -36.8074 86.1579 171.485 -149.716 -123.921 -197.887 95.1461 PRESSAVG: 3282600 2.60714 0.109417 5.10479 0.109394 48.7898 -19.4673 5.10476 -19.4673 8.29939 GPRESSAVG: 3282600 2.69678 0.40214 5.21789 0.539299 48.5489 -22.1509 4.06403 -18.1696 7.96202 TIMING: 3282600 CPU: 10431.8, 0.00312869/step Wall: 10431.8, 0.00312869/step, 1.49256 hours remaining, 233.121094 MB of memory in use. ENERGY: 3282600 3982.4454 20366.6405 14383.2669 247.2727 -203462.1082 2562.1028 0.0000 0.0000 52041.5655 -109878.8145 299.0836 -161920.3799 -109527.2896 298.2276 199.7562 220.5612 759773.6300 19.8988 19.7359 PRESSURE: 3282800 -353.804 -6.36023 -175.155 -6.36008 -347.69 -186.77 -175.156 -186.77 -20.3705 GPRESSURE: 3282800 -258.919 -10.0631 -224.427 51.5896 -290.524 -125.707 -116.342 -147.743 -87.8888 PRESSAVG: 3282800 29.6398 -16.5412 27.502 -16.5412 -37.4175 -16.0804 27.502 -16.0803 23.718 GPRESSAVG: 3282800 29.7348 -15.7576 28.7105 -17.5487 -37.7392 -15.8835 28.6321 -13.1609 23.5414 TIMING: 3282800 CPU: 10432.4, 0.00314915/step Wall: 10432.4, 0.00314915/step, 1.50214 hours remaining, 233.121094 MB of memory in use. ENERGY: 3282800 4008.3949 20382.6062 14452.2139 238.1463 -203603.2715 2810.8072 0.0000 0.0000 52068.9334 -109642.1696 299.2409 -161711.1030 -109281.4516 298.6253 -240.6217 -212.4441 761315.3138 5.3134 5.1790 PRESSURE: 3283000 -118.503 -105.997 -196.778 -105.998 -233.466 -196.075 -196.778 -196.074 -9.46275 GPRESSURE: 3283000 -65.1213 -33.4269 -235.845 -168.813 -167.633 -206.695 -152.638 -185.45 -38.483 PRESSAVG: 3283000 55.0038 -36.0584 -54.503 -36.0584 -24.0227 -16.0318 -54.503 -16.0318 -7.187 GPRESSAVG: 3283000 55.0176 -35.841 -55.5886 -33.9865 -24.9766 -14.7804 -56.0536 -19.4653 -6.66942 TIMING: 3283000 CPU: 10433, 0.0031265/step Wall: 10433, 0.0031265/step, 1.49117 hours remaining, 233.121094 MB of memory in use. ENERGY: 3283000 3950.7306 20547.5807 14449.8339 255.7725 -202686.3558 2004.1173 0.0000 0.0000 51587.1275 -109891.1934 296.4719 -161478.3209 -109537.2213 298.9737 -120.4774 -90.4125 761546.1643 7.9314 7.7905 PRESSURE: 3283200 186.299 -121.306 393.577 -121.307 65.5983 222.628 393.577 222.628 49.9471 GPRESSURE: 3283200 254.651 -80.9902 301.513 -15.3901 125.202 149.935 340.853 276.781 12.1068 PRESSAVG: 3283200 -19.7936 5.86273 -52.8502 5.86271 -35.8209 13.5383 -52.8501 13.5384 2.25447 GPRESSAVG: 3283200 -20.3214 6.90027 -50.9813 2.92126 -35.3064 11.0617 -53.7529 16.4818 2.50707 TIMING: 3283200 CPU: 10433.6, 0.00313009/step Wall: 10433.6, 0.00313009/step, 1.49271 hours remaining, 233.121094 MB of memory in use. ENERGY: 3283200 3905.4802 20352.8449 14387.6369 216.7852 -203372.4905 2587.6939 0.0000 0.0000 52155.9558 -109766.0938 299.7410 -161922.0496 -109408.6762 298.5421 100.6149 130.6533 758926.7593 -17.7867 -17.7069 PRESSURE: 3283400 16.513 -56.425 66.0694 -56.425 300.083 6.32049 66.0691 6.31975 187.025 GPRESSURE: 3283400 61.9635 -133.982 -35.1901 114.228 307.03 16.2871 78.3843 99.3485 210.05 PRESSAVG: 3283400 -29.9073 -10.676 -33.2512 -10.676 -14.0474 20.7751 -33.2512 20.7751 8.18601 GPRESSAVG: 3283400 -30.6941 -10.8307 -35.0028 -9.4729 -12.7346 21.5297 -31.799 19.9571 7.82282 TIMING: 3283400 CPU: 10434.3, 0.00312184/step Wall: 10434.3, 0.00312184/step, 1.4886 hours remaining, 233.121094 MB of memory in use. ENERGY: 3283400 4026.9489 20474.7544 14389.0249 264.5419 -203853.0254 2864.8947 0.0000 0.0000 51962.5314 -109870.3292 298.6294 -161832.8606 -109521.3195 298.7194 167.8736 193.0145 760295.9245 -11.9229 -11.8686 PRESSURE: 3283600 18.7058 -37.6142 63.4594 -37.6146 -396.831 -16.5321 63.4598 -16.533 -180.276 GPRESSURE: 3283600 -54.0568 -20.6367 78.4952 -15.553 -257.107 -6.47023 -51.0903 -9.88251 -159.479 PRESSAVG: 3283600 31.6578 -35.22 4.66695 -35.22 12.9628 21.7161 4.66694 21.716 10.9833 GPRESSAVG: 3283600 31.8755 -34.8833 4.43618 -34.5711 11.1923 24.0132 4.94426 20.2022 12.5376 TIMING: 3283600 CPU: 10434.9, 0.00313748/step Wall: 10434.9, 0.00313749/step, 1.49588 hours remaining, 233.121094 MB of memory in use. ENERGY: 3283600 3935.1427 20445.7430 14406.5233 227.3529 -203169.8947 2221.9405 0.0000 0.0000 52190.2599 -109742.9324 299.9381 -161933.1922 -109386.1649 298.8842 -186.1338 -156.8809 760749.8868 18.5347 18.5352 PRESSURE: 3283800 210.433 -207.947 86.0257 -207.948 143.323 -6.34482 86.0251 -6.34588 -344.337 GPRESSURE: 3283800 249.743 -351.445 145.921 -248.711 146.946 -84.5951 -34.4754 -40.3098 -310.509 PRESSAVG: 3283800 72.2022 -2.5374 33.4317 -2.53746 -66.6244 8.49489 33.4316 8.49498 14.3285 GPRESSAVG: 3283800 72.8325 -5.31961 34.7974 -3.23134 -66.532 5.97802 29.6388 8.89988 13.7723 TIMING: 3283800 CPU: 10435.5, 0.00315296/step Wall: 10435.5, 0.00315296/step, 1.50309 hours remaining, 233.121094 MB of memory in use. ENERGY: 3283800 4031.0179 20429.5326 14436.8410 238.4842 -203380.8914 2328.3807 0.0000 0.0000 51951.2535 -109965.3814 298.5646 -161916.6349 -109611.1388 298.4946 3.1393 28.7264 759431.5611 6.6354 6.6909 PRESSURE: 3284000 172.886 90.9056 -93.1365 90.9053 -14.7404 -131.136 -93.1364 -131.136 32.4857 GPRESSURE: 3284000 214.861 151.066 1.6531 111.524 50.2 -135.539 4.06727 89.3563 36.0896 PRESSAVG: 3284000 58.3387 -21.5672 -23.3879 -21.5672 2.36169 -49.169 -23.3878 -49.1691 2.08859 GPRESSAVG: 3284000 57.449 -19.1975 -23.7703 -24.1986 4.74814 -48.6532 -23.8698 -47.811 0.866904 TIMING: 3284000 CPU: 10436.2, 0.00314435/step Wall: 10436.2, 0.00314435/step, 1.49881 hours remaining, 233.121094 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: 3284000 4020.4373 20493.7694 14530.9316 245.3273 -203515.7786 2314.7839 0.0000 0.0000 52113.2435 -109797.2856 299.4955 -161910.5292 -109431.7127 298.8145 63.5438 100.3834 758209.3308 20.9297 21.0213 PRESSURE: 3284200 -60.2007 27.1183 59.8078 27.1187 -467.625 47.7937 59.8076 47.7936 -188.224 GPRESSURE: 3284200 -10.7807 -47.508 -11.0719 -32.1302 -457.76 102.277 118.673 -97.9816 -174.657 PRESSAVG: 3284200 39.9295 6.79274 4.05373 6.79272 -22.0985 -51.4373 4.05373 -51.4373 25.581 GPRESSAVG: 3284200 41.7504 5.07503 4.68881 9.63141 -24.6554 -48.7625 7.77114 -53.9262 26.3508 TIMING: 3284200 CPU: 10436.8, 0.00313732/step Wall: 10436.8, 0.00313732/step, 1.49528 hours remaining, 233.121094 MB of memory in use. ENERGY: 3284200 3972.6549 20439.0959 14465.1436 238.1513 -203335.1365 2415.0693 0.0000 0.0000 52060.6321 -109744.3894 299.1932 -161805.0215 -109386.6244 298.7956 -238.6835 -214.3993 760180.1874 14.4707 14.4819 LDB: ============= START OF LOAD BALANCING ============== 10449.2 LDB: ============== END OF LOAD BALANCING =============== 10449.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10449.2 LDB: ============= START OF LOAD BALANCING ============== 10449.5 LDB: Largest compute 7033 load 0.029141 is 14.9% of average load 0.195426 LDB: Average compute 0.004372 is 2.2% of average load 0.195426 LDB: TIME 10449.5 LOAD: AVG 0.195426 MAX 0.21601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.938 MB LDB: TIME 10449.5 LOAD: AVG 0.195426 MAX 0.21601 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: TIME 10449.5 LOAD: AVG 0.195426 MAX 0.21601 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: ============== END OF LOAD BALANCING =============== 10449.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10449.5 PRESSURE: 3284400 -309.504 -68.1885 165.493 -68.1889 -51.443 133.647 165.493 133.647 -230.777 GPRESSURE: 3284400 -242.075 -80.2548 183.601 -63.4693 -22.8734 129.599 18.8064 187.169 -236.069 PRESSAVG: 3284400 17.8978 -28.9637 16.9867 -28.9638 -31.835 0.534056 16.9867 0.534095 5.64102 GPRESSAVG: 3284400 16.1181 -29.4129 17.3309 -28.4323 -30.5826 -0.949207 16.4308 1.712 5.64927 TIMING: 3284400 CPU: 10437.4, 0.00322834/step Wall: 10437.4, 0.00322834/step, 1.53848 hours remaining, 234.382812 MB of memory in use. ENERGY: 3284400 4045.4731 20439.0402 14455.4712 228.5672 -203378.6094 2440.5297 0.0000 0.0000 51827.0933 -109942.4348 297.8510 -161769.5280 -109591.4701 298.5837 -197.2413 -167.0059 760841.8616 -2.7654 -2.9384 PRESSURE: 3284600 -223.578 160.189 8.52427 160.188 -109.759 52.5951 8.5244 52.5961 -334.024 GPRESSURE: 3284600 -210.163 145.353 8.13713 89.557 -111.46 -34.462 -17.4513 -44.4505 -240.419 PRESSAVG: 3284600 24.7716 -18.8301 21.624 -18.8301 -102.663 20.3672 21.6241 20.3672 -6.00719 GPRESSAVG: 3284600 24.7877 -16.5933 19.6313 -19.9662 -102.179 19.789 21.2549 20.268 -6.19624 TIMING: 3284600 CPU: 10438, 0.00313173/step Wall: 10438, 0.00313173/step, 1.49227 hours remaining, 234.453125 MB of memory in use. ENERGY: 3284600 3970.5236 20408.8808 14486.6654 255.2407 -203703.6841 2793.2483 0.0000 0.0000 51798.1143 -109991.0110 297.6845 -161789.1253 -109630.0799 298.6388 -222.4534 -187.3472 762377.9740 -27.9663 -27.8626 PRESSURE: 3284800 72.0711 107.496 -217.565 107.496 -244.151 263.541 -217.565 263.541 339.96 GPRESSURE: 3284800 137.297 35.1494 -228.322 38.9691 -170.661 242.951 -111.5 132.08 314.724 PRESSAVG: 3284800 34.4845 -19.0158 31.5807 -19.0158 -0.475415 -7.43056 31.5808 -7.43048 -4.11382 GPRESSAVG: 3284800 34.8489 -20.9624 33.1697 -19.9206 -0.457306 -7.51122 30.4043 -8.31748 -4.45283 TIMING: 3284800 CPU: 10438.7, 0.00313842/step Wall: 10438.7, 0.00313842/step, 1.49528 hours remaining, 234.710938 MB of memory in use. ENERGY: 3284800 3989.1712 20364.2005 14475.5621 250.9454 -203603.8623 2455.3808 0.0000 0.0000 52003.2182 -110065.3841 298.8632 -162068.6023 -109694.0526 298.4191 55.9600 93.7868 761265.4019 9.9651 9.9796 PRESSURE: 3285000 85.9199 129.534 -79.6699 129.534 301.541 27.554 -79.6694 27.5545 93.1393 GPRESSURE: 3285000 225.579 174.793 -61.2176 77.0129 226.62 -75.6777 -45.4591 124.45 121.077 PRESSAVG: 3285000 -6.0154 0.609495 -9.68334 0.60952 -4.23001 37.3097 -9.68334 37.3097 -0.769962 GPRESSAVG: 3285000 -5.86507 -1.25437 -10.5762 1.66091 -5.17608 37.4492 -7.77945 38.7023 -0.235001 TIMING: 3285000 CPU: 10439.3, 0.00311864/step Wall: 10439.3, 0.00311865/step, 1.48569 hours remaining, 234.710938 MB of memory in use. ENERGY: 3285000 4020.0632 20424.5524 14430.8285 260.3491 -203779.9236 2634.7415 0.0000 0.0000 51952.5588 -110056.8300 298.5721 -162009.3888 -109699.1533 298.4825 160.2001 191.0922 760533.1777 -3.6718 -3.7587 PRESSURE: 3285200 -67.5739 -143.547 -44.0982 -143.547 -248.056 108.167 -44.0974 108.167 -428.749 GPRESSURE: 3285200 3.41308 -113.784 15.2599 -78.8652 -235.528 108.444 -35.1645 138.436 -425.43 PRESSAVG: 3285200 22.0627 -41.4087 -8.85055 -41.4087 -15.3847 -5.35486 -8.8505 -5.35485 -0.994336 GPRESSAVG: 3285200 21.1096 -38.0954 -8.78752 -41.3213 -14.5663 -5.68098 -9.44979 -5.63439 -0.575532 TIMING: 3285200 CPU: 10439.9, 0.0031103/step Wall: 10439.9, 0.0031103/step, 1.48154 hours remaining, 234.710938 MB of memory in use. ENERGY: 3285200 3965.2753 20617.2436 14434.3539 242.1680 -203007.4514 2006.4309 0.0000 0.0000 51785.2078 -109956.7720 297.6103 -161741.9798 -109593.0600 298.2729 -248.1263 -219.1815 762021.3094 1.8945 1.9892 PRESSURE: 3285400 -278.306 -86.352 62.4611 -86.3523 -233.224 -188.627 62.4616 -188.627 318.027 GPRESSURE: 3285400 -171.525 20.6961 59.765 -201.538 -213.993 -258.852 -9.2358 -205.662 289.046 PRESSAVG: 3285400 26.4366 -40.9428 3.32789 -40.9428 -34.5044 -44.3133 3.32789 -44.3133 -24.6969 GPRESSAVG: 3285400 27.3625 -40.4988 1.63328 -40.0402 -35.3013 -44.2537 3.53336 -42.6617 -24.778 TIMING: 3285400 CPU: 10440.5, 0.00312663/step Wall: 10440.5, 0.00312663/step, 1.48915 hours remaining, 234.910156 MB of memory in use. ENERGY: 3285400 4045.8635 20290.5018 14487.3946 242.4264 -204316.4853 2950.5379 0.0000 0.0000 52515.0686 -109784.6926 301.8048 -162299.7611 -109412.7290 298.7506 -64.5012 -32.1575 762693.4289 -10.9215 -10.9056 PRESSURE: 3285600 -357.551 119.797 56.518 119.797 -26.0011 145.272 56.5184 145.272 -421.083 GPRESSURE: 3285600 -235.849 103.176 57.5852 136.136 -41.5327 242.776 69.1729 70.5588 -425.667 PRESSAVG: 3285600 -26.0548 19.3801 -6.48967 19.3801 25.8098 34.36 -6.48966 34.36 -1.92639 GPRESSAVG: 3285600 -25.8178 18.8757 -5.70979 18.7252 26.0624 34.6545 -6.04761 33.3678 -2.07348 TIMING: 3285600 CPU: 10441.2, 0.00310893/step Wall: 10441.2, 0.00310893/step, 1.48054 hours remaining, 234.910156 MB of memory in use. ENERGY: 3285600 4025.3988 20538.5319 14498.7349 263.0368 -203534.9968 2431.0747 0.0000 0.0000 51998.8206 -109779.3991 298.8379 -161778.2197 -109405.7136 298.5745 -268.2116 -234.3496 762873.9566 -0.7238 -0.6096 PRESSURE: 3285800 87.6473 -84.7163 209.964 -84.7159 -91.499 -48.4868 209.964 -48.4873 331.957 GPRESSURE: 3285800 143.351 -206.877 145.105 -37.8456 -46.1974 -88.3097 144.88 20.5432 307.456 PRESSAVG: 3285800 25.1838 6.04618 62.9894 6.04617 4.52617 3.70091 62.9894 3.70089 -6.94254 GPRESSAVG: 3285800 24.7207 4.35431 61.9365 4.30558 4.12333 4.11502 61.3943 3.44402 -6.73408 TIMING: 3285800 CPU: 10441.8, 0.00311491/step Wall: 10441.8, 0.00311491/step, 1.48322 hours remaining, 234.980469 MB of memory in use. ENERGY: 3285800 3949.8826 20660.1862 14474.3111 244.7663 -203558.5832 2662.0308 0.0000 0.0000 51781.4938 -109785.9124 297.5890 -161567.4062 -109430.6457 298.7074 109.3686 134.8701 763337.9980 7.5891 7.3700 PRESSURE: 3286000 -6.75425 -50.3751 117.33 -50.3747 -211.234 -39.8345 117.33 -39.8348 -51.221 GPRESSURE: 3286000 43.275 -51.4168 57.0413 -122.724 -140.95 -49.1656 62.2788 19.407 -83.7883 PRESSAVG: 3286000 23.0416 -38.4448 24.9689 -38.4448 -4.0444 35.6285 24.9689 35.6283 6.94123 GPRESSAVG: 3286000 23.3889 -36.8013 26.1868 -39.7709 -2.87609 34.7685 25.2252 35.6482 5.4681 TIMING: 3286000 CPU: 10442.4, 0.00312043/step Wall: 10442.4, 0.00312043/step, 1.48567 hours remaining, 234.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3286000 4016.9455 20589.7413 14429.4422 264.8441 -203513.8155 2410.7470 0.0000 0.0000 52013.8218 -109788.2736 298.9241 -161802.0954 -109420.4476 298.8574 -89.7365 -60.4876 762060.8064 8.6461 8.6603 PRESSURE: 3286200 -136.324 -141.595 29.1068 -141.596 -150.532 127.832 29.1066 127.832 13.1325 GPRESSURE: 3286200 -102.969 -134.76 32.1781 -84.912 -89.6275 12.6839 -154.266 142.954 13.806 PRESSAVG: 3286200 -18.0839 -11.1822 21.6629 -11.1822 29.4324 -8.96242 21.6629 -8.96239 22.0924 GPRESSAVG: 3286200 -18.9082 -12.6876 21.0142 -9.59108 28.5349 -9.45682 20.6821 -9.38126 24.211 TIMING: 3286200 CPU: 10443, 0.00312088/step Wall: 10443, 0.00312088/step, 1.48571 hours remaining, 234.980469 MB of memory in use. ENERGY: 3286200 3995.3278 20648.0011 14455.1905 260.8815 -203693.8325 2548.2928 0.0000 0.0000 51896.6066 -109889.5323 298.2505 -161786.1389 -109524.5450 298.9117 -91.2413 -59.5968 761618.9445 11.1470 11.2792 PRESSURE: 3286400 366.542 -48.9913 -151.481 -48.9908 309.977 -31.147 -151.479 -31.1479 187.297 GPRESSURE: 3286400 365.775 -52.9015 -104.126 1.09249 347.001 -65.028 -112.767 -49.0058 232.783 PRESSAVG: 3286400 6.33458 6.66883 -13.8949 6.66879 7.5636 -3.5102 -13.895 -3.51019 22.2684 GPRESSAVG: 3286400 7.34703 8.60865 -12.6747 6.48965 8.38114 -2.50836 -13.4293 -4.46524 21.2293 TIMING: 3286400 CPU: 10443.7, 0.00312677/step Wall: 10443.7, 0.00312677/step, 1.48834 hours remaining, 234.980469 MB of memory in use. ENERGY: 3286400 3846.3244 20433.7444 14453.1960 219.9862 -203552.5671 2504.0440 0.0000 0.0000 51996.3473 -110098.9248 298.8237 -162095.2721 -109717.1197 298.5751 287.9388 315.1863 759740.2499 12.0555 12.3192 PRESSURE: 3286600 63.1665 42.8387 206.138 42.8391 241.162 -180.798 206.137 -180.799 -1.23071 GPRESSURE: 3286600 50.7262 96.5338 272.346 12.5202 223.899 -341.856 164.155 -44.0251 117.139 PRESSAVG: 3286600 18.5495 -32.347 24.0551 -32.3469 -1.12337 -38.2303 24.0552 -38.2303 15.5476 GPRESSAVG: 3286600 17.6737 -33.4562 23.073 -33.585 -2.10338 -40.2631 26.7808 -36.1966 16.6341 TIMING: 3286600 CPU: 10444.3, 0.00310607/step Wall: 10444.3, 0.00310607/step, 1.47832 hours remaining, 234.980469 MB of memory in use. ENERGY: 3286600 3975.0846 20510.8577 14470.2724 235.7753 -203567.7212 2582.9849 0.0000 0.0000 51754.9821 -110037.7641 297.4366 -161792.7462 -109659.7669 298.2286 101.0326 130.5882 759783.1419 10.9912 10.7348 PRESSURE: 3286800 149.268 17.0802 55.449 17.0802 47.5395 46.8358 55.4483 46.8365 307.505 GPRESSURE: 3286800 193.352 67.8561 53.4507 80.4608 81.2343 221.642 -42.4238 57.6389 319.397 PRESSAVG: 3286800 -16.0651 -41.478 11.149 -41.478 -27.4655 9.81664 11.149 9.81659 -23.4304 GPRESSAVG: 3286800 -15.0134 -41.6506 11.548 -41.6348 -26.1288 13.2913 11.4321 8.77574 -25.8972 TIMING: 3286800 CPU: 10444.9, 0.00310873/step Wall: 10444.9, 0.00310873/step, 1.47941 hours remaining, 234.980469 MB of memory in use. ENERGY: 3286800 3944.3760 20455.7586 14515.5374 237.9895 -204109.1745 2782.7061 0.0000 0.0000 52182.6397 -109990.1672 299.8943 -162172.8069 -109633.1361 298.3234 168.1043 197.9945 758902.3355 -22.3203 -22.3465 PRESSURE: 3287000 -453.013 183.187 33.6134 183.186 -113.191 -134.21 33.6131 -134.21 -501.968 GPRESSURE: 3287000 -355.235 47.0401 16.9574 304.702 -169.302 -99.4588 -40.6561 -171.443 -463.188 PRESSAVG: 3287000 3.81553 -79.8284 -27.1893 -79.8283 10.2743 -38.6394 -27.1893 -38.6394 -4.9108 GPRESSAVG: 3287000 3.74657 -81.1113 -28.4738 -78.0744 9.61287 -40.1129 -28.3728 -38.6702 -4.6075 TIMING: 3287000 CPU: 10445.5, 0.0031355/step Wall: 10445.5, 0.0031355/step, 1.49197 hours remaining, 234.980469 MB of memory in use. ENERGY: 3287000 4116.7365 20459.3263 14399.2233 213.2809 -203397.0550 2280.9253 0.0000 0.0000 51888.4057 -110039.1570 298.2034 -161927.5627 -109680.8031 298.7803 -356.0573 -329.2417 760456.5734 3.0597 2.9173 PRESSURE: 3287200 -30.8745 27.8352 -185.902 27.8355 -156.639 80.4975 -185.902 80.4959 419.132 GPRESSURE: 3287200 -28.3676 6.53602 -194.415 -6.76686 -68.004 53.1816 -123.111 -0.210298 424.739 PRESSAVG: 3287200 40.4556 33.6795 -48.7666 33.6794 -7.50727 -50.5372 -48.7666 -50.5373 6.53501 GPRESSAVG: 3287200 40.5824 34.5791 -48.3474 33.6352 -8.1187 -51.6609 -49.5714 -50.3866 6.77585 TIMING: 3287200 CPU: 10446.2, 0.00312266/step Wall: 10446.2, 0.00312266/step, 1.48569 hours remaining, 234.980469 MB of memory in use. ENERGY: 3287200 3999.3285 20496.4895 14400.3157 260.1622 -203546.5829 2546.7085 0.0000 0.0000 51852.3469 -109991.2316 297.9962 -161843.5785 -109623.2398 298.6251 77.2063 109.4558 760527.8816 13.1611 13.0799 PRESSURE: 3287400 205.227 -147.114 28.8094 -147.114 -168.576 34.59 28.8088 34.5902 -175.832 GPRESSURE: 3287400 254.304 -157.483 -59.1964 -96.4948 -176.795 39.3764 9.20615 -93.7844 -108.852 PRESSAVG: 3287400 29.3822 -7.17154 -46.1981 -7.17154 -43.8055 4.25665 -46.198 4.25665 13.968 GPRESSAVG: 3287400 29.6075 -7.90174 -46.198 -7.37921 -43.9087 6.32018 -45.2421 2.00437 13.9614 TIMING: 3287400 CPU: 10446.8, 0.00311159/step Wall: 10446.8, 0.00311159/step, 1.48025 hours remaining, 234.980469 MB of memory in use. ENERGY: 3287400 4037.7584 20470.4129 14384.1466 241.5729 -203977.6695 2619.9159 0.0000 0.0000 52116.7544 -110107.1084 299.5157 -162223.8628 -109742.9276 298.2485 -46.3938 -10.4477 758484.3040 -0.1518 -0.1133 PRESSURE: 3287600 -73.9079 -186.893 -222.453 -186.894 -303.415 88.0389 -222.453 88.0383 143.299 GPRESSURE: 3287600 21.6226 -230.385 -227.23 -60.4419 -346.657 81.7625 -143.076 -8.51733 165.43 PRESSAVG: 3287600 47.0913 -56.4046 -44.2167 -56.4046 -87.3811 0.480353 -44.2167 0.480408 13.7942 GPRESSAVG: 3287600 47.1276 -54.5728 -43.7586 -56.267 -87.6898 -0.361475 -46.4304 1.81606 13.9253 TIMING: 3287600 CPU: 10447.4, 0.00312136/step Wall: 10447.4, 0.00312136/step, 1.48473 hours remaining, 234.980469 MB of memory in use. ENERGY: 3287600 3947.9830 20283.3626 14415.8653 245.8919 -203597.9691 2644.7701 0.0000 0.0000 51861.7934 -110198.3029 298.0504 -162060.0962 -109831.8905 298.5608 -78.0081 -53.2016 759895.4293 -8.8319 -8.8789 PRESSURE: 3287800 233.646 -1.4692 -396.719 -1.47026 -38.0879 -170.785 -396.719 -170.784 -171.438 GPRESSURE: 3287800 206.279 -36.7221 -396.23 35.0683 -2.93751 -99.0839 -301.682 -235.641 -84.0387 PRESSAVG: 3287800 94.9846 -35.8186 -35.0533 -35.8187 -42.8731 22.0427 -35.0533 22.0427 -1.92276 GPRESSAVG: 3287800 94.7477 -35.5772 -34.5815 -37.4526 -42.3956 22.5472 -33.5695 24.1015 -2.14777 TIMING: 3287800 CPU: 10448, 0.00313486/step Wall: 10448, 0.00313486/step, 1.49097 hours remaining, 234.980469 MB of memory in use. ENERGY: 3287800 3919.7228 20456.2195 14401.9885 255.5635 -203249.7806 2251.9213 0.0000 0.0000 52009.9466 -109954.4184 298.9019 -161964.3650 -109591.2202 298.6235 8.0400 39.7676 758861.5566 16.7296 16.7348 PRESSURE: 3288000 -230.798 15.6511 208.407 15.6514 141.088 98.4924 208.407 98.4909 202.368 GPRESSURE: 3288000 -172.653 -2.78822 210.514 77.2766 186.689 9.13703 133.07 57.384 196.362 PRESSAVG: 3288000 25.1938 -71.768 -16.4018 -71.7679 -26.8061 -9.92874 -16.4018 -9.92879 8.63554 GPRESSAVG: 3288000 24.0575 -72.6912 -16.4131 -71.2924 -26.3389 -11.2712 -16.951 -11.266 8.54077 TIMING: 3288000 CPU: 10448.7, 0.00311576/step Wall: 10448.7, 0.00311576/step, 1.48172 hours remaining, 234.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3288000 3979.0575 20431.5879 14414.1051 251.7910 -203940.6212 2791.0537 0.0000 0.0000 52266.1586 -109806.8673 300.3743 -162073.0259 -109450.4740 298.1254 37.5528 70.1326 760703.3069 2.3411 2.0865 PRESSURE: 3288200 229.458 69.7373 -283.534 69.7381 -90.423 17.1865 -283.534 17.186 331.191 GPRESSURE: 3288200 218.448 84.9925 -343.848 89.0926 21.9881 27.4726 -140.063 -1.43576 322.04 PRESSAVG: 3288200 -32.5825 -35.7987 37.7435 -35.7988 40.59 -7.9898 37.7434 -7.98984 -9.27355 GPRESSAVG: 3288200 -33.1207 -35.8884 36.8545 -37.3107 42.0505 -5.95319 36.9454 -8.99605 -10.3072 TIMING: 3288200 CPU: 10449.3, 0.0031273/step Wall: 10449.3, 0.0031273/step, 1.48703 hours remaining, 234.980469 MB of memory in use. ENERGY: 3288200 3912.5778 20478.5660 14368.1275 242.0042 -203689.6088 2885.5376 0.0000 0.0000 52040.2432 -109762.5524 299.0760 -161802.7956 -109396.8218 298.4597 156.7421 187.4921 761195.4340 -0.4220 -0.4591 LDB: ============= START OF LOAD BALANCING ============== 10461.7 LDB: ============== END OF LOAD BALANCING =============== 10461.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10461.7 LDB: ============= START OF LOAD BALANCING ============== 10462 LDB: Largest compute 7033 load 0.029892 is 15.3% of average load 0.195656 LDB: Average compute 0.004363 is 2.2% of average load 0.195656 LDB: TIME 10462 LOAD: AVG 0.195656 MAX 0.21517 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.359 MB LDB: TIME 10462 LOAD: AVG 0.195656 MAX 0.21517 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.453 MB LDB: TIME 10462 LOAD: AVG 0.195656 MAX 0.21517 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.453 MB LDB: ============== END OF LOAD BALANCING =============== 10462 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10462 PRESSURE: 3288400 -166.361 35.0906 172.564 35.0906 140.48 -60.0575 172.564 -60.0578 -246.689 GPRESSURE: 3288400 -96.389 75.0036 197.131 -0.0172211 179.62 -78.6355 66.1784 -38.4829 -275.868 PRESSAVG: 3288400 43.6906 -13.6385 58.9946 -13.6384 -27.8612 -5.44711 58.9946 -5.44713 -13.2886 GPRESSAVG: 3288400 44.112 -13.9526 59.4922 -9.90725 -28.3744 -7.54074 57.7306 -3.77813 -12.9926 TIMING: 3288400 CPU: 10449.9, 0.00320687/step Wall: 10449.9, 0.00320686/step, 1.52469 hours remaining, 233.613281 MB of memory in use. ENERGY: 3288400 3926.5118 20435.0595 14502.2035 241.5712 -202990.7170 2288.4861 0.0000 0.0000 51919.7064 -109677.1785 298.3833 -161596.8849 -109305.8672 298.3182 -90.8568 -64.2125 761274.7988 0.8469 0.9150 PRESSURE: 3288600 -140.484 3.78489 -171.311 3.7842 -61.3642 118.297 -171.311 118.297 63.8928 GPRESSURE: 3288600 22.0235 72.8947 -21.4066 -63.1289 -145.793 91.9293 -130.887 261.195 101.085 PRESSAVG: 3288600 58.6172 -8.31916 -14.8471 -8.31921 11.5597 43.5994 -14.8471 43.5994 2.13751 GPRESSAVG: 3288600 59.6047 -6.98894 -15.7755 -10.041 10.2975 46.8501 -12.7161 40.6394 2.64522 TIMING: 3288600 CPU: 10450.6, 0.0031263/step Wall: 10450.6, 0.0031263/step, 1.48621 hours remaining, 234.015625 MB of memory in use. ENERGY: 3288600 3989.1557 20378.9796 14433.0583 223.7900 -203426.7545 2850.2104 0.0000 0.0000 52044.1933 -109507.3671 299.0987 -161551.5604 -109148.9895 298.7439 -45.9853 -7.5615 760940.2741 24.1048 24.1825 PRESSURE: 3288800 -181.669 -53.6304 -229.705 -53.63 -40.7895 149.391 -229.705 149.389 -423.278 GPRESSURE: 3288800 -154.487 -31.463 -262.876 -34.1713 -22.5296 148.954 -363.97 169.493 -371.65 PRESSAVG: 3288800 -29.3507 -44.5403 -16.0493 -44.5403 2.60841 16.8463 -16.0493 16.8463 5.62869 GPRESSAVG: 3288800 -29.9384 -44.1243 -15.5526 -44.5524 3.31774 15.5988 -16.4315 17.7393 4.82842 TIMING: 3288800 CPU: 10451.2, 0.00311975/step Wall: 10451.2, 0.00311975/step, 1.48292 hours remaining, 234.214844 MB of memory in use. ENERGY: 3288800 3954.5322 20398.2536 14487.9013 228.0107 -203185.2333 2526.9258 0.0000 0.0000 51899.6303 -109689.9795 298.2679 -161589.6098 -109330.1370 298.6975 -215.2456 -182.8889 761628.9151 -7.0379 -7.2641 PRESSURE: 3289000 -122.074 -119.462 -143.769 -119.461 -92.2943 -48.4644 -143.77 -48.4652 -58.4235 GPRESSURE: 3289000 -10.7543 26.6595 -183.015 -134.523 -87.7663 -155.179 -99.1477 -79.0145 -91.1724 PRESSAVG: 3289000 -7.81551 -22.6693 -31.7444 -22.6693 -9.26265 5.43216 -31.7444 5.43221 -9.96905 GPRESSAVG: 3289000 -7.56967 -23.0536 -30.9435 -22.1524 -10.5996 4.49223 -31.6593 5.74122 -9.9651 TIMING: 3289000 CPU: 10451.8, 0.00313628/step Wall: 10451.8, 0.00313628/step, 1.4906 hours remaining, 234.417969 MB of memory in use. ENERGY: 3289000 3953.6784 20356.3358 14427.1617 241.0139 -203050.9310 2412.4553 0.0000 0.0000 52057.8661 -109602.4198 299.1773 -161660.2859 -109238.7473 298.3263 -90.9305 -63.2310 761919.4060 -9.0157 -9.3781 PRESSURE: 3289200 345.864 -185.392 152.826 -185.392 26.5146 163.155 152.825 163.154 -60.1931 GPRESSURE: 3289200 413.894 -122.056 138.24 -131.92 32.6728 253.723 123.2 247.769 -35.2165 PRESSAVG: 3289200 24.4974 -30.6333 -65.5916 -30.6333 -14.687 57.472 -65.5916 57.4719 -11.7846 GPRESSAVG: 3289200 23.5845 -31.6426 -64.4057 -30.5179 -13.1759 58.1085 -66.2092 57.8904 -12.3398 TIMING: 3289200 CPU: 10452.4, 0.0031295/step Wall: 10452.4, 0.0031295/step, 1.48721 hours remaining, 234.417969 MB of memory in use. ENERGY: 3289200 3982.8661 20392.2414 14446.1949 236.8568 -203209.4638 2622.9084 0.0000 0.0000 51838.7342 -109689.6620 297.9179 -161528.3962 -109326.7026 298.6311 104.0619 137.1169 760588.2632 -0.6580 -0.6437 PRESSURE: 3289400 -219.98 -23.9728 -69.5031 -23.9734 -324.22 94.6011 -69.5032 94.6011 274.292 GPRESSURE: 3289400 -231.391 -107.776 -54.0949 179.341 -185.057 130.224 -16.7638 16.606 219.16 PRESSAVG: 3289400 -5.6477 -6.99621 -24.0982 -6.99624 4.38365 -19.6777 -24.0982 -19.6777 9.00921 GPRESSAVG: 3289400 -5.81593 -8.29676 -25.5062 -7.15119 4.09654 -19.4447 -22.9113 -19.6564 9.48037 TIMING: 3289400 CPU: 10453.1, 0.00312542/step Wall: 10453.1, 0.00312542/step, 1.48509 hours remaining, 234.417969 MB of memory in use. ENERGY: 3289400 4006.6206 20564.4648 14443.1847 233.8242 -203459.5960 2583.2237 0.0000 0.0000 51846.3918 -109781.8862 297.9619 -161628.2780 -109431.0465 298.5888 -89.9692 -65.7624 761469.1837 2.5817 2.5870 PRESSURE: 3289600 -144.546 -152.581 -22.8048 -152.58 -204.514 -11.2404 -22.8037 -11.2418 -400.646 GPRESSURE: 3289600 -147.975 -61.9962 -121.316 -132.063 -155.089 -132.112 50.9606 37.2126 -371.44 PRESSAVG: 3289600 8.3704 -11.8487 -31.3446 -11.8486 -4.63847 -4.28338 -31.3446 -4.28334 24.1547 GPRESSAVG: 3289600 7.97587 -9.7298 -32.1405 -12.9277 -5.07001 -4.14951 -30.123 -4.73846 24.6691 TIMING: 3289600 CPU: 10453.7, 0.00313155/step Wall: 10453.7, 0.00313155/step, 1.48784 hours remaining, 234.488281 MB of memory in use. ENERGY: 3289600 3950.8864 20476.2611 14443.0256 259.8469 -203636.8019 2437.1269 0.0000 0.0000 52131.4266 -109938.2283 299.6000 -162069.6549 -109569.0698 298.6429 -249.9020 -224.8348 762379.0817 9.2955 9.1917 PRESSURE: 3289800 -43.791 -199.897 -144.324 -199.896 -242.143 24.3047 -144.325 24.3054 -301.88 GPRESSURE: 3289800 -65.1072 -238.856 -144.18 -194.231 -230.628 59.5295 -164.205 150.63 -217.234 PRESSAVG: 3289800 4.58514 -49.2259 -38.7833 -49.2259 -20.3794 -15.6573 -38.7833 -15.6574 -11.3521 GPRESSAVG: 3289800 5.16842 -50.6607 -36.7347 -49.8338 -21.2754 -14.586 -42.063 -16.0249 -11.2907 TIMING: 3289800 CPU: 10454.3, 0.00313111/step Wall: 10454.3, 0.00313111/step, 1.48745 hours remaining, 234.488281 MB of memory in use. ENERGY: 3289800 3972.2522 20582.8022 14467.6114 270.9161 -203520.5689 2563.2742 0.0000 0.0000 51954.4355 -109709.2773 298.5829 -161663.7129 -109350.7233 298.3378 -195.9378 -170.9897 762953.6172 -9.0488 -9.1325 PRESSURE: 3290000 18.0571 -224.133 -291.613 -224.133 -111.576 -92.6602 -291.613 -92.6592 -114.502 GPRESSURE: 3290000 110.478 -157.948 -288.773 -190.832 -18.7414 -45.2674 -323.91 -146.411 -211.325 PRESSAVG: 3290000 -35.6724 -46.1715 -43.8798 -46.1715 27.1887 17.3194 -43.8798 17.3195 9.70658 GPRESSAVG: 3290000 -35.6449 -45.4935 -44.1774 -45.0607 28.1721 15.2359 -41.8261 18.9123 9.07082 TIMING: 3290000 CPU: 10454.9, 0.00313978/step Wall: 10454.9, 0.00313978/step, 1.4914 hours remaining, 234.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3290000 4002.4216 20510.0544 14340.4148 265.9840 -203617.9465 2681.3433 0.0000 0.0000 51935.6714 -109882.0570 298.4750 -161817.7284 -109523.9242 298.3084 -69.3406 -39.8628 762563.0232 0.4076 0.5327 PRESSURE: 3290200 -394.478 -113.353 258.808 -113.353 -146.131 158.292 258.808 158.291 131.456 GPRESSURE: 3290200 -283.416 -113.69 206.241 -62.56 -154.229 141.137 141.747 134.38 127.661 PRESSAVG: 3290200 -3.57475 -47.214 -39.9646 -47.2139 -4.44822 7.38821 -39.9645 7.38815 -3.66983 GPRESSAVG: 3290200 -2.57097 -47.4461 -39.5958 -46.9067 -5.49353 8.12122 -39.4069 7.31354 -3.53099 TIMING: 3290200 CPU: 10455.6, 0.00313482/step Wall: 10455.6, 0.00313482/step, 1.48886 hours remaining, 234.488281 MB of memory in use. ENERGY: 3290200 3937.7906 20565.0539 14308.1342 235.5455 -203341.2313 2632.8523 0.0000 0.0000 51889.1713 -109772.6836 298.2078 -161661.8548 -109406.0127 298.5569 -136.3845 -103.3278 763173.0613 -3.8976 -3.8652 PRESSURE: 3290400 131.243 -34.275 -28.6261 -34.275 -241.346 -40.8962 -28.6262 -40.8956 48.2083 GPRESSURE: 3290400 109.277 -19.8666 -22.8465 -131.689 -177.389 37.9249 61.6349 -33.5378 90.3519 PRESSAVG: 3290400 26.2388 -17.4413 9.9385 -17.4412 -22.147 59.2845 9.93846 59.2845 -15.7256 GPRESSAVG: 3290400 25.054 -17.5465 8.58435 -18.8978 -21.9175 59.467 10.4966 58.204 -14.844 TIMING: 3290400 CPU: 10456.2, 0.00314113/step Wall: 10456.2, 0.00314113/step, 1.49169 hours remaining, 234.488281 MB of memory in use. ENERGY: 3290400 3937.5856 20541.6634 14444.4006 247.2184 -203338.1281 2484.9097 0.0000 0.0000 51804.8571 -109877.4932 297.7232 -161682.3503 -109514.0587 298.8814 -20.6315 7.4134 764095.2101 -3.8779 -3.9025 PRESSURE: 3290600 -29.9066 -78.4683 -77.9082 -78.4685 -2.86588 8.0833 -77.9078 8.0834 9.82204 GPRESSURE: 3290600 -25.0455 -72.6063 -65.8745 -6.97216 6.25092 -16.9553 -169.685 92.325 85.5928 PRESSAVG: 3290600 52.344 5.86282 -11.3205 5.86279 -25.1157 67.8879 -11.3204 67.8879 1.31854 GPRESSAVG: 3290600 51.5803 5.10181 -10.2233 6.38066 -23.9486 68.1902 -12.8538 69.7349 1.00308 TIMING: 3290600 CPU: 10456.8, 0.00314389/step Wall: 10456.8, 0.00314389/step, 1.49282 hours remaining, 234.488281 MB of memory in use. ENERGY: 3290600 3992.8902 20526.7127 14438.6300 230.7046 -203466.4501 2754.0347 0.0000 0.0000 52007.2172 -109516.2606 298.8862 -161523.4778 -109153.1743 299.0388 -7.6501 22.2661 761684.7832 9.5156 9.5449 PRESSURE: 3290800 46.1743 -55.1096 -112.948 -55.1084 58.8482 84.3527 -112.947 84.353 -255.939 GPRESSURE: 3290800 145.855 46.7104 -193.794 24.7834 6.00213 86.2187 -93.9743 73.1102 -205.1 PRESSAVG: 3290800 58.7465 -0.838797 19.9421 -0.838802 -36.8022 23.2266 19.9422 23.2266 16.3776 GPRESSAVG: 3290800 59.0453 -0.473569 17.2856 0.907604 -36.9083 24.8709 22.5085 20.7536 16.0384 TIMING: 3290800 CPU: 10457.4, 0.00313659/step Wall: 10457.4, 0.00313659/step, 1.48918 hours remaining, 234.488281 MB of memory in use. ENERGY: 3290800 4004.6365 20440.4383 14403.4770 246.4613 -203075.0526 2202.9026 0.0000 0.0000 51949.4290 -109827.7079 298.5541 -161777.1369 -109460.2623 298.8892 -50.3054 -17.7476 761229.5883 12.7740 12.7251 PRESSURE: 3291000 49.545 -211.018 276.807 -211.019 197.969 81.4797 276.807 81.4799 246.343 GPRESSURE: 3291000 84.2929 -186.956 269.528 -82.6148 284.115 11.0361 208.328 106.744 213.354 PRESSAVG: 3291000 5.27159 -56.5115 -6.36493 -56.5115 -16.9555 41.2156 -6.36491 41.2156 -8.69135 GPRESSAVG: 3291000 5.245 -57.0025 -5.11047 -56.4069 -17.5978 38.6992 -8.15305 44.265 -8.56413 TIMING: 3291000 CPU: 10458.1, 0.00311763/step Wall: 10458.1, 0.00311763/step, 1.48001 hours remaining, 234.488281 MB of memory in use. ENERGY: 3291000 3991.4709 20637.1967 14440.4580 244.7218 -203483.6708 2696.4025 0.0000 0.0000 51858.3906 -109615.0302 298.0309 -161473.4209 -109256.2235 299.0658 164.6187 193.9206 761333.8832 -6.7918 -6.9723 PRESSURE: 3291200 -61.302 134.012 -43.6356 134.01 -518.066 154.093 -43.6352 154.093 -133.724 GPRESSURE: 3291200 -5.48855 121.711 -5.0963 117.879 -502.091 123.22 -218.409 50.3846 -130.246 PRESSAVG: 3291200 52.5618 -18.6056 -25.3676 -18.6056 -56.2758 6.74274 -25.3675 6.74269 3.72196 GPRESSAVG: 3291200 52.6378 -18.5636 -25.9334 -18.8603 -55.8955 7.47803 -23.9946 5.87224 3.68584 TIMING: 3291200 CPU: 10458.7, 0.00315189/step Wall: 10458.7, 0.00315188/step, 1.49609 hours remaining, 234.488281 MB of memory in use. ENERGY: 3291200 3960.8796 20405.7117 14412.3142 249.8715 -203298.1564 2503.0944 0.0000 0.0000 52217.2419 -109549.0432 300.0932 -161766.2851 -109177.3925 299.0891 -237.6973 -212.6084 763461.2980 0.0026 0.1427 PRESSURE: 3291400 197.295 -209.264 -118.899 -209.264 168.301 -48.9999 -118.899 -48.9996 -318.612 GPRESSURE: 3291400 227.223 -206.228 -98.9311 -222.613 200.652 -16.6962 -134.091 -89.7024 -282.087 PRESSAVG: 3291400 42.9832 -31.3736 -68.8399 -31.3737 -46.4985 30.1327 -68.8399 30.1326 -41.9687 GPRESSAVG: 3291400 43.0451 -29.0912 -66.4986 -32.2687 -45.7434 30.4412 -70.3067 30.4388 -42.2943 TIMING: 3291400 CPU: 10459.3, 0.00313659/step Wall: 10459.3, 0.00313659/step, 1.48866 hours remaining, 234.488281 MB of memory in use. ENERGY: 3291400 3976.5296 20564.0186 14438.1044 254.1051 -203296.3459 2781.0297 0.0000 0.0000 51738.2308 -109544.3277 297.3403 -161282.5585 -109198.4285 299.1208 15.6613 48.5959 761058.2804 -15.1613 -14.9975 PRESSURE: 3291600 -129.403 64.6623 101.031 64.6628 -367.894 92.7307 101.032 92.7315 -226.301 GPRESSURE: 3291600 -104.693 -22.3766 82.2632 32.5004 -274.601 119.114 120.526 115.783 -260.872 PRESSAVG: 3291600 -9.96915 -48.1419 -18.2889 -48.1419 -18.2294 -34.1475 -18.2889 -34.1475 23.2394 GPRESSAVG: 3291600 -7.87105 -50.8329 -20.4154 -48.4349 -19.9206 -32.2378 -16.2685 -35.4945 22.825 TIMING: 3291600 CPU: 10460, 0.00312571/step Wall: 10460, 0.00312571/step, 1.48333 hours remaining, 234.488281 MB of memory in use. ENERGY: 3291600 3996.4207 20552.2207 14386.1886 252.4632 -203296.7338 2447.7625 0.0000 0.0000 52267.9241 -109393.7539 300.3845 -161661.6781 -109022.3415 299.2524 -241.1996 -213.3889 763802.8734 -1.6530 -1.6555 PRESSURE: 3291800 -17.2788 66.0967 100.442 66.0962 -19.6264 14.8386 100.442 14.84 -578.462 GPRESSURE: 3291800 -0.563544 34.9904 135.244 91.4024 20.2974 -1.1924 -56.4122 -31.7892 -557.096 PRESSAVG: 3291800 -14.4768 -62.6321 1.07493 -62.6321 1.80149 32.9796 1.07489 32.9796 5.1157 GPRESSAVG: 3291800 -15.8398 -62.9794 1.76157 -61.0333 2.16991 32.0399 -1.07961 33.5853 5.80363 TIMING: 3291800 CPU: 10460.6, 0.00313443/step Wall: 10460.6, 0.00313443/step, 1.48729 hours remaining, 234.488281 MB of memory in use. ENERGY: 3291800 3935.8185 20554.3333 14402.6536 243.8452 -203297.9176 2706.7246 0.0000 0.0000 51962.1579 -109492.3844 298.6272 -161454.5423 -109132.7074 299.1701 -205.1225 -179.1208 763438.8785 -2.5199 -2.6221 PRESSURE: 3292000 -123.477 -133.796 -109.335 -133.796 119.968 124.15 -109.335 124.15 173.326 GPRESSURE: 3292000 -37.5036 -89.4785 -72.9814 -103.543 157.086 123.523 -157.865 69.0825 155.916 PRESSAVG: 3292000 -12.7902 -91.0801 -9.51104 -91.0802 22.9957 18.2238 -9.51109 18.2238 -2.27087 GPRESSAVG: 3292000 -13.0697 -92.1093 -8.43214 -91.2718 24.0466 18.8648 -10.7657 17.6894 -3.33058 TIMING: 3292000 CPU: 10461.2, 0.00312125/step Wall: 10461.2, 0.00312125/step, 1.48086 hours remaining, 234.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3292000 4002.9380 20688.3243 14416.0701 249.8296 -203531.4409 2923.3950 0.0000 0.0000 51852.5767 -109398.3070 297.9975 -161250.8838 -109055.8009 299.2783 56.6058 91.8330 763985.7363 2.6449 2.5488 PRESSURE: 3292200 -69.2499 22.7469 -60.2803 22.7472 -172.403 -275.371 -60.2799 -275.37 -837.747 GPRESSURE: 3292200 -60.6732 -41.0348 -60.087 -68.4591 -70.7099 -309.313 -84.6674 -170.581 -840.654 PRESSAVG: 3292200 -32.1868 -38.129 -21.8115 -38.129 32.7308 24.259 -21.8115 24.2589 -9.99868 GPRESSAVG: 3292200 -31.1106 -38.3045 -22.4026 -36.6876 30.7906 23.2323 -20.3017 27.4192 -9.0153 TIMING: 3292200 CPU: 10461.8, 0.00312205/step Wall: 10461.8, 0.00312205/step, 1.48106 hours remaining, 234.488281 MB of memory in use. ENERGY: 3292200 3946.1617 20429.8294 14439.3291 242.8558 -203091.1428 2447.5817 0.0000 0.0000 52084.1647 -109501.2204 299.3284 -161585.3851 -109128.6133 299.1738 -359.8000 -324.0125 763278.0218 -3.1515 -3.1118 LDB: ============= START OF LOAD BALANCING ============== 10474.2 LDB: ============== END OF LOAD BALANCING =============== 10474.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10474.2 LDB: ============= START OF LOAD BALANCING ============== 10474.6 LDB: Largest compute 7058 load 0.028787 is 14.7% of average load 0.195545 LDB: Average compute 0.004378 is 2.2% of average load 0.195545 LDB: TIME 10474.6 LOAD: AVG 0.195545 MAX 0.218697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 10474.6 LOAD: AVG 0.195545 MAX 0.218697 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 10474.6 LOAD: AVG 0.195545 MAX 0.218177 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 10474.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10474.6 PRESSURE: 3292400 -410.857 -20.4193 139.792 -20.4191 -230.287 29.0949 139.792 29.0956 -96.9213 GPRESSURE: 3292400 -417.415 -18.4365 65.9019 -9.51341 -142.725 112.247 146.212 16.3264 -104.084 PRESSAVG: 3292400 -9.69991 -48.4492 -7.19091 -48.4492 31.4796 41.885 -7.19086 41.885 28.1677 GPRESSAVG: 3292400 -11.0481 -46.8349 -8.63738 -50.9096 32.515 40.8786 -7.23023 39.7251 28.4737 TIMING: 3292400 CPU: 10462.5, 0.00318245/step Wall: 10462.5, 0.00318244/step, 1.50954 hours remaining, 235.101562 MB of memory in use. ENERGY: 3292400 3963.5652 20331.9089 14424.9463 241.0202 -203160.4441 2641.5316 0.0000 0.0000 52098.6087 -109458.8631 299.4114 -161557.4718 -109092.3417 298.9291 -246.0218 -221.4082 763623.0038 16.6491 16.6469 PRESSURE: 3292600 -52.9458 -231.44 119.913 -231.439 111.609 169.099 119.914 169.1 251.627 GPRESSURE: 3292600 19.1874 -184.036 197.361 -265.442 105.709 188.016 132.73 156.628 280.24 PRESSAVG: 3292600 -36.2054 -15.0665 -12.4414 -15.0666 -2.30202 63.7782 -12.4414 63.7781 -39.5792 GPRESSAVG: 3292600 -35.7126 -16.4439 -10.3864 -15.8426 -3.06928 65.7243 -13.6482 62.9354 -39.3832 TIMING: 3292600 CPU: 10463.1, 0.003118/step Wall: 10463.1, 0.003118/step, 1.4788 hours remaining, 235.171875 MB of memory in use. ENERGY: 3292600 3998.9313 20470.0939 14428.9635 251.1015 -203221.6963 2752.2150 0.0000 0.0000 52046.4170 -109273.9740 299.1115 -161320.3911 -108912.9425 299.2782 103.4299 135.0453 761944.4850 -26.0289 -26.0550 PRESSURE: 3292800 107.285 119.814 -51.6636 119.814 220.714 -140.016 -51.6635 -140.016 -91.509 GPRESSURE: 3292800 186.845 163.349 4.70957 179.029 251.993 -100.682 -76.5686 -118.421 -117.53 PRESSAVG: 3292800 28.448 -45.2446 -6.72888 -45.2445 -19.8726 -17.267 -6.72893 -17.2669 -7.97807 GPRESSAVG: 3292800 28.5203 -42.2225 -6.25661 -43.5935 -19.4193 -17.254 -9.19383 -16.3317 -8.34055 TIMING: 3292800 CPU: 10463.7, 0.00313147/step Wall: 10463.7, 0.00313147/step, 1.48501 hours remaining, 235.171875 MB of memory in use. ENERGY: 3292800 3984.0240 20447.7202 14447.9953 239.0129 -202951.1159 2557.7630 0.0000 0.0000 52163.1315 -109111.4690 299.7822 -161274.6006 -108758.4908 299.7399 78.8301 107.1025 760466.0706 0.1991 0.2535 PRESSURE: 3293000 174.838 140.118 155.272 140.118 52.877 15.2851 155.272 15.2843 109.47 GPRESSURE: 3293000 152.352 178.796 200.06 124.74 199.193 -24.4154 124.363 67.6754 91.2401 PRESSAVG: 3293000 33.8549 -20.0094 -6.33139 -20.0093 -42.9643 -16.1038 -6.3313 -16.1037 -12.247 GPRESSAVG: 3293000 33.7519 -22.6529 -8.61076 -19.6185 -43.37 -19.0754 -4.06386 -16.97 -11.6413 TIMING: 3293000 CPU: 10464.3, 0.00312699/step Wall: 10464.3, 0.00312699/step, 1.48271 hours remaining, 235.371094 MB of memory in use. ENERGY: 3293000 4038.9752 20358.8388 14470.0041 267.3365 -203290.2766 2508.1542 0.0000 0.0000 52508.5156 -109138.4522 301.7672 -161646.9678 -108774.6042 300.3550 112.3952 147.5949 759765.8602 -7.1188 -7.0864 PRESSURE: 3293200 -527.799 -75.8116 17.3394 -75.8122 -356.964 16.9331 17.3384 16.9335 -269.061 GPRESSURE: 3293200 -450.151 -24.293 109.648 -55.9508 -401.273 86.3659 12.2962 -19.4675 -226.995 PRESSAVG: 3293200 35.1862 -15.3506 -24.1742 -15.3505 0.959322 -11.5322 -24.1742 -11.5321 -17.1522 GPRESSAVG: 3293200 34.3086 -14.3033 -22.4459 -16.4453 1.56634 -8.72761 -22.8827 -11.5314 -16.985 TIMING: 3293200 CPU: 10465, 0.0031216/step Wall: 10465, 0.0031216/step, 1.47998 hours remaining, 235.371094 MB of memory in use. ENERGY: 3293200 4021.2796 20430.7878 14523.5247 263.1505 -202787.5599 2124.4307 0.0000 0.0000 52172.6746 -109251.7120 299.8371 -161424.3866 -108889.3158 299.8725 -384.6078 -359.4729 761725.0163 6.3311 6.2966 PRESSURE: 3293400 -144.371 -155.809 43.2417 -155.809 -191.659 -56.3452 43.2419 -56.3453 -46.0161 GPRESSURE: 3293400 -103.61 -192.383 -63.8983 -25.3545 -110.279 -94.375 56.4244 -5.0181 -79.7967 PRESSAVG: 3293400 5.94329 -0.702216 -24.3734 -0.702265 -16.2929 49.6987 -24.3734 49.6988 21.8938 GPRESSAVG: 3293400 7.41313 -2.33979 -24.7047 0.249339 -17.8365 48.6348 -23.6097 48.4357 21.4007 TIMING: 3293400 CPU: 10465.6, 0.00313427/step Wall: 10465.6, 0.00313427/step, 1.48582 hours remaining, 235.371094 MB of memory in use. ENERGY: 3293400 3992.7277 20453.9875 14459.3749 256.2810 -202797.4066 2278.9179 0.0000 0.0000 52135.6256 -109220.4920 299.6242 -161356.1176 -108861.6118 300.0413 -127.3487 -97.8955 760372.6065 3.8481 3.6591 PRESSURE: 3293600 -159.245 -17.5186 42.0969 -17.5198 -306.344 -133.521 42.0965 -133.521 -86.4606 GPRESSURE: 3293600 -111.55 47.2216 42.7197 -26.065 -255.313 -234.082 84.6715 -206.509 -106.508 PRESSAVG: 3293600 39.9867 -39.1268 -1.63901 -39.1269 -48.4678 4.23531 -1.63894 4.23534 -0.759223 GPRESSAVG: 3293600 39.0115 -39.7832 -2.78276 -40.2411 -47.0297 4.08134 -2.41978 4.71505 -1.272 TIMING: 3293600 CPU: 10466.2, 0.00312654/step Wall: 10466.2, 0.00312654/step, 1.48198 hours remaining, 235.570312 MB of memory in use. ENERGY: 3293600 4052.2839 20578.3196 14443.2634 246.7701 -202716.2817 1976.3028 0.0000 0.0000 52174.1877 -109245.1543 299.8458 -161419.3420 -108881.9123 300.0698 -184.0165 -157.7902 760798.9486 -3.0801 -3.0967 PRESSURE: 3293800 -70.5757 201.987 -85.6589 201.987 -271.867 13.2414 -85.6584 13.2415 66.7332 GPRESSURE: 3293800 12.4413 149.747 -56.8882 161.774 -244.126 -32.8518 -63.501 42.1982 59.2671 PRESSAVG: 3293800 51.989 -18.192 -25.1925 -18.192 -9.21062 -15.9864 -25.1925 -15.9864 16.3296 GPRESSAVG: 3293800 51.4901 -16.3677 -24.3157 -17.1999 -9.3816 -14.4732 -25.7257 -17.2251 16.2992 TIMING: 3293800 CPU: 10466.8, 0.00313433/step Wall: 10466.8, 0.00313433/step, 1.4855 hours remaining, 235.570312 MB of memory in use. ENERGY: 3293800 4051.6431 20686.1426 14419.6900 238.8649 -203017.6659 2516.6624 0.0000 0.0000 51839.5857 -109265.0772 297.9228 -161104.6629 -108915.6539 299.6974 -91.9032 -57.4725 760872.2269 19.7026 19.4692 PRESSURE: 3294000 45.1596 -178.981 11.1521 -178.981 239.53 141.328 11.1524 141.328 -33.3171 GPRESSURE: 3294000 56.7189 -175.639 37.4988 -205.35 265.312 143.45 -71.2601 231.422 2.96846 PRESSAVG: 3294000 15.376 -34.2846 14.9796 -34.2846 14.3128 -8.83479 14.9795 -8.83481 -24.1365 GPRESSAVG: 3294000 16.2958 -34.8187 16.7043 -34.2584 13.2083 -10.0054 14.4507 -8.07473 -23.1325 TIMING: 3294000 CPU: 10467.5, 0.00313172/step Wall: 10467.5, 0.00313172/step, 1.48409 hours remaining, 235.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3294000 3957.6030 20442.0092 14419.5781 240.4072 -202971.6507 2426.7970 0.0000 0.0000 52036.9650 -109448.2911 299.0572 -161485.2561 -109079.9735 299.3703 83.7907 108.3332 760731.3801 1.8508 2.1239 PRESSURE: 3294200 -205.034 159.664 -41.0618 159.663 -2.95977 -30.5893 -41.062 -30.5884 42.1286 GPRESSURE: 3294200 -155.496 46.3441 -70.7417 165.338 99.9156 39.8202 -60.2131 -62.4145 -33.9599 PRESSAVG: 3294200 9.0314 -48.6827 -50.9973 -48.6827 23.2905 28.1356 -50.9973 28.1355 -6.15485 GPRESSAVG: 3294200 8.99903 -48.822 -52.4461 -49.1304 23.8044 28.9451 -50.5831 30.5147 -6.29772 TIMING: 3294200 CPU: 10468.1, 0.00313552/step Wall: 10468.1, 0.00313552/step, 1.48571 hours remaining, 235.570312 MB of memory in use. ENERGY: 3294200 3997.9097 20467.2692 14454.1339 249.5234 -202949.6333 2400.0833 0.0000 0.0000 52002.2562 -109378.4576 298.8577 -161380.7138 -109027.7228 299.1873 -55.2883 -29.8468 761006.0785 8.7224 8.8352 PRESSURE: 3294400 -132.089 110.757 -80.9793 110.757 210.923 99.2397 -80.9787 99.2401 -24.3941 GPRESSURE: 3294400 -69.6371 202.362 -181.107 111.397 264.148 136.667 -82.2489 214.947 -57.5533 PRESSAVG: 3294400 -10.3285 -39.6389 -52.0402 -39.639 -28.8218 -20.2776 -52.0401 -20.2776 -5.22959 GPRESSAVG: 3294400 -10.1501 -39.9646 -53.0623 -39.1497 -27.7117 -19.9907 -51.2641 -23.465 -6.42565 TIMING: 3294400 CPU: 10468.7, 0.00313656/step Wall: 10468.7, 0.00313656/step, 1.48603 hours remaining, 235.570312 MB of memory in use. ENERGY: 3294400 3955.1440 20592.3315 14454.1602 251.7253 -203588.3090 2761.2164 0.0000 0.0000 52100.7248 -109473.0068 299.4236 -161573.7316 -109114.4008 299.2599 18.1466 45.6525 760926.0773 -14.7933 -14.7625 PRESSURE: 3294600 -26.7059 81.5298 -29.2587 81.5294 -300.293 -22.2976 -29.2593 -22.2979 -216.234 GPRESSURE: 3294600 -69.5214 14.4658 -65.2071 126.231 -233.235 -111.715 35.9137 68.3396 -176.704 PRESSAVG: 3294600 -1.93618 -28.9241 -49.6774 -28.9241 11.2695 35.3555 -49.6774 35.3555 17.2175 GPRESSAVG: 3294600 -2.9532 -29.0801 -48.5099 -28.0748 11.4669 33.0233 -47.4794 39.3484 17.8616 TIMING: 3294600 CPU: 10469.3, 0.00313802/step Wall: 10469.3, 0.00313802/step, 1.48655 hours remaining, 235.570312 MB of memory in use. ENERGY: 3294600 4003.9257 20467.8447 14465.3911 254.8376 -203018.4193 2331.4661 0.0000 0.0000 52057.4202 -109437.5340 299.1747 -161494.9542 -109070.5077 299.7077 -181.0776 -159.8203 760294.3820 8.8503 8.7917 PRESSURE: 3294800 -212.659 -53.0862 -133.417 -53.0863 -15.6821 157.443 -133.416 157.443 -548.336 GPRESSURE: 3294800 -240.964 -103.404 -95.1891 -44.5178 6.2141 171.682 -125.862 107.036 -451.384 PRESSAVG: 3294800 20.8831 41.1397 46.1562 41.1397 -5.32116 -37.2729 46.1562 -37.2728 2.27953 GPRESSAVG: 3294800 21.1173 42.59 47.5749 41.1304 -6.6342 -35.3296 41.6977 -41.3942 2.88165 TIMING: 3294800 CPU: 10470, 0.00314164/step Wall: 10470, 0.00314164/step, 1.48809 hours remaining, 235.570312 MB of memory in use. ENERGY: 3294800 4038.9333 20464.6488 14456.2683 248.7665 -203062.4839 2215.8820 0.0000 0.0000 52219.5657 -109418.4195 300.1066 -161637.9851 -109055.7429 299.8035 -258.8925 -228.7113 761396.9541 5.9472 5.7882 PRESSURE: 3295000 105.049 -1.4419 -339.215 -1.44236 65.9931 129.677 -339.216 129.677 -156.255 GPRESSURE: 3295000 141.239 -76.4664 -346.645 134.335 78.4183 79.9864 -236.132 145.578 -131.43 PRESSAVG: 3295000 -6.43437 -2.38965 5.40265 -2.38969 -7.35565 -34.7539 5.4026 -34.7539 14.6781 GPRESSAVG: 3295000 -5.96856 -3.1451 4.52671 -3.42276 -6.51352 -37.0489 6.05739 -33.0195 13.3748 TIMING: 3295000 CPU: 10470.6, 0.00313245/step Wall: 10470.6, 0.00313245/step, 1.48356 hours remaining, 235.570312 MB of memory in use. ENERGY: 3295000 3899.3237 20421.8613 14470.8158 230.2766 -203174.3972 2612.1233 0.0000 0.0000 52292.2167 -109247.7799 300.5241 -161539.9966 -108882.7991 299.4971 4.9289 29.4091 762584.6538 0.2960 0.2976 PRESSURE: 3295200 -190.167 -53.2584 -10.9595 -53.259 -429.27 264.272 -10.9591 264.273 -221.735 GPRESSURE: 3295200 -214.554 -80.9517 -80.4806 20.617 -366.633 252.279 -9.86862 320.921 -168.531 PRESSAVG: 3295200 28.246 -12.2749 -36.7748 -12.2749 -39.7127 13.0343 -36.7748 13.0343 9.3482 GPRESSAVG: 3295200 27.5801 -10.9548 -36.6559 -11.6974 -41.0677 14.4833 -36.1665 12.2164 10.9268 TIMING: 3295200 CPU: 10471.2, 0.00311798/step Wall: 10471.2, 0.00311798/step, 1.47654 hours remaining, 235.570312 MB of memory in use. ENERGY: 3295200 3985.9556 20437.4250 14483.7098 227.0907 -202994.2655 2449.3728 0.0000 0.0000 52003.8735 -109406.8381 298.8670 -161410.7115 -109040.0158 299.2050 -280.3908 -249.9061 762113.2140 -0.7062 -0.8536 PRESSURE: 3295400 20.5686 211.285 -86.6081 211.285 -139.167 302.05 -86.6087 302.05 228.181 GPRESSURE: 3295400 -42.5672 186.508 -43.4882 96.053 -54.3266 313.849 -28.6347 322.621 273.066 PRESSAVG: 3295400 8.43668 18.1459 -21.7302 18.1459 9.35653 35.865 -21.7302 35.8651 3.85372 GPRESSAVG: 3295400 9.26974 17.3183 -22.3281 17.684 10.0328 36.2727 -21.072 36.0281 2.22673 TIMING: 3295400 CPU: 10471.8, 0.00310656/step Wall: 10471.8, 0.00310656/step, 1.47096 hours remaining, 235.570312 MB of memory in use. ENERGY: 3295400 4012.7235 20532.4312 14445.0650 239.0638 -203102.8232 2425.2972 0.0000 0.0000 51985.6381 -109462.6043 298.7622 -161448.2425 -109102.7713 299.3980 36.5275 58.7239 759517.1034 7.2156 7.1764 PRESSURE: 3295600 -68.2297 -48.1785 -63.7988 -48.1783 -65.8458 182.427 -63.7985 182.426 428.628 GPRESSURE: 3295600 15.7271 -62.8603 -165.408 -15.4474 -84.357 128.403 -54.996 120.839 441.122 PRESSAVG: 3295600 57.079 -9.47736 -38.4162 -9.47736 -52.6588 -0.725826 -38.4161 -0.72583 -4.11707 GPRESSAVG: 3295600 56.5895 -8.44954 -37.9069 -9.59119 -51.729 0.722805 -37.7645 -0.484176 -4.32772 TIMING: 3295600 CPU: 10472.5, 0.00312655/step Wall: 10472.5, 0.00312655/step, 1.48025 hours remaining, 235.570312 MB of memory in use. ENERGY: 3295600 3959.5074 20376.6357 14527.9818 256.4227 -203210.6613 2497.1829 0.0000 0.0000 52077.6993 -109515.2316 299.2913 -161592.9309 -109157.8973 299.2653 98.1841 124.1639 759937.3713 0.1011 0.1776 PRESSURE: 3295800 143.006 87.2391 -182.58 87.2386 399.882 -96.0632 -182.579 -96.0638 308.802 GPRESSURE: 3295800 170.88 26.0352 -243.444 25.4206 477.006 -110.002 -226.071 -102.392 310.902 PRESSAVG: 3295800 32.1411 4.44725 -32.755 4.44715 -10.3924 9.38358 -32.755 9.38361 13.3679 GPRESSAVG: 3295800 31.8422 2.55579 -32.8003 6.07571 -9.41329 7.10071 -34.3368 7.64553 12.7597 TIMING: 3295800 CPU: 10473.1, 0.00314059/step Wall: 10473.1, 0.00314059/step, 1.48672 hours remaining, 235.570312 MB of memory in use. ENERGY: 3295800 4029.9418 20389.8063 14396.0084 244.9235 -203587.7279 2983.3056 0.0000 0.0000 51973.5524 -109570.1899 298.6927 -161543.7424 -109205.3262 298.8825 283.8967 319.5959 759007.2235 11.7055 11.7295 PRESSURE: 3296000 -34.4363 37.9533 32.5957 37.9536 -211.603 113.385 32.5951 113.385 173.35 GPRESSURE: 3296000 -25.3472 45.808 -43.9855 169.118 -250.979 97.7827 74.3976 4.67574 291.897 PRESSAVG: 3296000 77.8271 -16.3354 -64.0079 -16.3355 -68.9402 -13.4729 -64.008 -13.4729 32.7376 GPRESSAVG: 3296000 78.8914 -14.9239 -64.4713 -14.8234 -71.4722 -13.3503 -61.4382 -11.2063 34.332 TIMING: 3296000 CPU: 10473.7, 0.00316671/step Wall: 10473.7, 0.00316671/step, 1.49891 hours remaining, 235.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3296000 3976.8622 20328.1559 14460.4566 237.0506 -203252.9651 2327.8374 0.0000 0.0000 52255.4487 -109667.1538 300.3128 -161922.6025 -109312.3607 299.0905 -24.2295 5.1901 760105.3262 13.8749 13.9171 PRESSURE: 3296200 35.8959 42.5308 87.4356 42.5298 264.266 94.3979 87.4363 94.3966 -380.731 GPRESSURE: 3296200 -26.874 -91.3288 61.6994 26.0965 331.958 42.6436 109.59 103.052 -299.061 PRESSAVG: 3296200 5.22688 -1.64543 -1.23028 -1.64544 58.0712 -42.2875 -1.23028 -42.2875 -15.6312 GPRESSAVG: 3296200 5.04241 -3.11975 0.329563 -4.21852 59.1418 -41.8228 -4.59316 -42.6342 -16.6405 TIMING: 3296200 CPU: 10474.4, 0.00316845/step Wall: 10474.4, 0.00316845/step, 1.49956 hours remaining, 235.570312 MB of memory in use. ENERGY: 3296200 4028.5862 20493.2468 14538.4626 241.2618 -203450.8295 2467.5855 0.0000 0.0000 51884.7604 -109796.9261 298.1824 -161681.6866 -109440.5195 299.0102 -26.8566 2.0074 760278.0148 15.8890 15.8479 LDB: ============= START OF LOAD BALANCING ============== 10486.8 LDB: ============== END OF LOAD BALANCING =============== 10486.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10486.8 LDB: ============= START OF LOAD BALANCING ============== 10487.1 LDB: Largest compute 7034 load 0.028893 is 14.8% of average load 0.195541 LDB: Average compute 0.004372 is 2.2% of average load 0.195541 LDB: TIME 10487.1 LOAD: AVG 0.195541 MAX 0.21422 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.336 MB LDB: TIME 10487.1 LOAD: AVG 0.195541 MAX 0.21422 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: TIME 10487.1 LOAD: AVG 0.195541 MAX 0.21422 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: ============== END OF LOAD BALANCING =============== 10487.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10487.1 PRESSURE: 3296400 -252.139 6.72065 -170.826 6.72036 37.0061 163.989 -170.827 163.989 -27.6205 GPRESSURE: 3296400 -140.816 -9.9529 -114.081 -16.2655 1.79592 210.31 -94.2791 127.299 -29.5003 PRESSAVG: 3296400 15.8443 15.9096 -66.4364 15.9096 -13.3415 33.4841 -66.4365 33.484 -9.54727 GPRESSAVG: 3296400 14.8896 16.4421 -67.535 17.5883 -13.7186 32.8597 -64.2325 33.8283 -8.4356 TIMING: 3296400 CPU: 10475, 0.00326604/step Wall: 10475, 0.00326604/step, 1.54556 hours remaining, 234.843750 MB of memory in use. ENERGY: 3296400 3983.6162 20498.0929 14474.2192 232.3662 -203388.5951 2550.3070 0.0000 0.0000 51935.6845 -109714.3091 298.4751 -161649.9936 -109355.0097 298.7316 -80.9179 -56.1733 762064.1119 -2.3482 -2.4215 PRESSURE: 3296600 -230.285 47.2754 21.3598 47.2744 35.8033 -44.4878 21.3603 -44.4873 -12.153 GPRESSURE: 3296600 -190.601 -54.0018 82.9157 155.814 100.586 -14.913 -6.10444 -153.856 0.344297 PRESSAVG: 3296600 19.7055 9.80407 -51.1628 9.80406 -55.8978 15.3242 -51.1627 15.3242 -2.52709 GPRESSAVG: 3296600 19.3939 11.357 -50.7194 7.82197 -54.5345 17.3079 -51.0372 12.5127 -3.48267 TIMING: 3296600 CPU: 10475.7, 0.00314615/step Wall: 10475.7, 0.00314615/step, 1.48865 hours remaining, 234.843750 MB of memory in use. ENERGY: 3296600 3994.0664 20364.7852 14460.7481 233.9366 -203405.2256 2541.8817 0.0000 0.0000 52255.1869 -109554.6207 300.3113 -161809.8075 -109199.1072 299.0922 -68.8782 -29.8902 761911.7018 -12.9065 -12.8744 PRESSURE: 3296800 -141.688 13.6551 16.7254 13.6559 -357.577 10.6995 16.7248 10.7005 96.3165 GPRESSURE: 3296800 -144.587 -23.4955 22.4333 168.117 -305.843 15.6136 60.4982 97.0232 128.375 PRESSAVG: 3296800 34.4776 -25.1065 4.21515 -25.1064 -57.5192 -10.1851 4.21519 -10.1851 -12.3288 GPRESSAVG: 3296800 33.6939 -26.404 3.1857 -24.4033 -57.4124 -10.9948 4.8746 -7.3287 -12.6413 TIMING: 3296800 CPU: 10476.3, 0.00312775/step Wall: 10476.3, 0.00312775/step, 1.47977 hours remaining, 235.046875 MB of memory in use. ENERGY: 3296800 3975.8636 20501.3150 14489.9526 260.0997 -202891.2114 2393.0050 0.0000 0.0000 52098.6380 -109172.3374 299.4116 -161270.9754 -108820.4644 299.1637 -134.3160 -107.3517 763205.1424 -11.7901 -12.1199 PRESSURE: 3297000 174.303 -113.268 -175.572 -113.268 -244.463 104.446 -175.573 104.446 -241.003 GPRESSURE: 3297000 115.651 -262.566 -154.48 -171.647 -231.267 203.859 -35.4852 171.283 -119.025 PRESSAVG: 3297000 5.16584 -22.6337 -0.865908 -22.6337 0.572518 -14.9558 -0.865823 -14.9557 -22.0951 GPRESSAVG: 3297000 5.83885 -23.6403 0.982594 -22.4404 -0.420338 -15.5978 -2.73384 -13.617 -22.1516 TIMING: 3297000 CPU: 10476.9, 0.00314695/step Wall: 10476.9, 0.00314695/step, 1.48868 hours remaining, 235.046875 MB of memory in use. ENERGY: 3297000 4055.7875 20377.0185 14478.8396 257.4304 -203232.8135 2576.2761 0.0000 0.0000 52249.4725 -109237.9889 300.2784 -161487.4614 -108871.6368 300.0087 -103.7206 -78.2138 761573.8659 -5.4522 -5.5777 PRESSURE: 3297200 -55.9723 -68.8289 -17.6533 -68.8301 -135.043 22.3422 -17.6529 22.3433 -157.367 GPRESSURE: 3297200 -46.2278 20.5238 48.9724 -42.4095 -110.093 -31.3275 -12.5646 -9.3168 -122.342 PRESSAVG: 3297200 11.2563 -29.1122 17.5127 -29.1121 -29.4041 50.8801 17.5127 50.8801 9.61148 GPRESSAVG: 3297200 10.7381 -27.5378 17.129 -28.742 -29.5667 50.6378 17.652 50.5643 10.0717 TIMING: 3297200 CPU: 10477.5, 0.00314851/step Wall: 10477.5, 0.00314851/step, 1.48925 hours remaining, 235.117188 MB of memory in use. ENERGY: 3297200 3956.5172 20773.4428 14471.6112 249.7821 -203014.2648 2455.2827 0.0000 0.0000 51924.4494 -109183.1795 298.4105 -161107.6289 -108816.9834 300.0153 -116.1274 -92.8874 761504.6206 -2.8454 -2.9190 PRESSURE: 3297400 -142.755 -233.206 94.7286 -233.205 -190.27 127.614 94.7288 127.613 -241.333 GPRESSURE: 3297400 -92.9248 -238.641 149.031 -124.935 -196.111 48.9716 44.8787 154.681 -182.647 PRESSAVG: 3297400 1.62967 -18.8853 1.83047 -18.8854 -14.9876 -4.11479 1.83047 -4.11479 -7.8304 GPRESSAVG: 3297400 2.77096 -18.071 -0.572561 -17.3063 -15.3663 -5.27385 3.61454 -5.22534 -8.35055 TIMING: 3297400 CPU: 10478.2, 0.00314436/step Wall: 10478.2, 0.00314436/step, 1.48711 hours remaining, 235.117188 MB of memory in use. ENERGY: 3297400 4005.4094 20379.3181 14447.4661 240.0109 -202824.8653 2308.0689 0.0000 0.0000 52194.7235 -109249.8683 299.9638 -161444.5918 -108881.9212 299.4897 -191.4527 -157.2278 761872.6782 -7.0628 -6.9820 PRESSURE: 3297600 249.605 -69.6169 126.16 -69.6174 -76.9322 185.291 126.16 185.29 -60.1307 GPRESSURE: 3297600 149.814 -85.182 118.805 -100.077 94.6741 126.701 96.7643 13.6231 -40.4825 PRESSAVG: 3297600 1.77821 -69.2944 -35.4373 -69.2943 -29.5239 9.64388 -35.4373 9.64387 26.3327 GPRESSAVG: 3297600 0.815297 -70.6098 -33.278 -70.1971 -28.8752 11.3472 -36.7357 8.70489 26.6592 TIMING: 3297600 CPU: 10478.8, 0.00317679/step Wall: 10478.8, 0.00317679/step, 1.50227 hours remaining, 235.117188 MB of memory in use. ENERGY: 3297600 4133.6277 20558.8010 14498.0898 248.8478 -203202.2906 2515.1438 0.0000 0.0000 51860.3444 -109387.4362 298.0421 -161247.7806 -109029.4980 299.0398 37.5140 68.0017 759259.1000 -0.4710 -0.4669 PRESSURE: 3297800 -184.023 -95.0699 45.5084 -95.0692 -35.496 33.0724 45.5083 33.071 76.3905 GPRESSURE: 3297800 -119.431 -35.3272 -43.4682 -113.305 68.3083 3.83959 74.0197 145.783 -1.88864 PRESSAVG: 3297800 8.46993 -48.6901 -66.2814 -48.6902 -2.40905 43.6023 -66.2813 43.6022 4.40615 GPRESSAVG: 3297800 9.52331 -46.0208 -67.6537 -51.76 -4.06548 43.1931 -64.617 46.031 4.7574 TIMING: 3297800 CPU: 10479.4, 0.00318735/step Wall: 10479.4, 0.00318735/step, 1.50709 hours remaining, 235.117188 MB of memory in use. ENERGY: 3297800 3938.7078 20461.8571 14450.7818 252.4256 -202987.7572 2401.5986 0.0000 0.0000 51957.2749 -109525.1114 298.5992 -161482.3863 -109166.1155 298.9935 -47.7096 -17.6704 758935.8188 3.4890 3.4051 PRESSURE: 3298000 -25.7845 -73.157 116.207 -73.1571 -12.3026 -48.7379 116.207 -48.7368 122.646 GPRESSURE: 3298000 38.1648 -114.661 110.58 -68.8219 -36.8141 -4.87081 64.8037 88.6003 130.377 PRESSAVG: 3298000 -24.0202 -33.6597 9.99698 -33.6596 61.078 0.251015 9.99701 0.25101 6.15804 GPRESSAVG: 3298000 -25.6739 -35.7297 8.681 -32.022 61.6643 1.72574 7.48673 -2.4296 6.62425 TIMING: 3298000 CPU: 10480.1, 0.00318486/step Wall: 10480.1, 0.00318486/step, 1.50573 hours remaining, 235.117188 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: 3298000 3933.4412 20499.4002 14477.4659 259.0341 -203104.7387 2345.2144 0.0000 0.0000 52207.9513 -109382.2315 300.0398 -161590.1828 -109017.6810 299.0034 28.1862 43.9092 761243.0170 14.4053 14.2049 PRESSURE: 3298200 -140.276 -369.316 -120.389 -369.317 -75.3415 -178.112 -120.389 -178.111 210.48 GPRESSURE: 3298200 -106.953 -239.283 -122.793 -306.381 -38.6792 -155.671 37.7297 14.5457 225.357 PRESSAVG: 3298200 35.8753 -56.0869 8.86016 -56.087 25.3531 -35.4405 8.86018 -35.4404 -18.1422 GPRESSAVG: 3298200 37.3593 -55.463 11.2023 -54.4237 25.1973 -37.2645 8.73528 -33.9579 -19.5862 TIMING: 3298200 CPU: 10480.7, 0.00314352/step Wall: 10480.7, 0.00314352/step, 1.48601 hours remaining, 235.187500 MB of memory in use. ENERGY: 3298200 3988.8080 20460.5744 14384.2963 228.1863 -203323.5812 2388.5891 0.0000 0.0000 52138.7680 -109734.3590 299.6422 -161873.1270 -109369.7791 299.1396 -1.7127 26.5749 758753.7872 14.3620 14.3234 PRESSURE: 3298400 104.454 -55.7926 31.3439 -55.7921 -167.49 -209.073 31.3434 -209.074 83.351 GPRESSURE: 3298400 102.99 -176.206 -38.1028 -109.377 -76.3236 -149.011 103.4 -254.237 80.1515 PRESSAVG: 3298400 4.00521 -62.9834 -24.4066 -62.9833 30.8458 -12.7512 -24.4066 -12.7512 25.0741 GPRESSAVG: 3298400 2.13696 -62.8714 -25.0488 -65.3699 33.0076 -11.7831 -24.1041 -11.6217 24.6364 TIMING: 3298400 CPU: 10481.3, 0.00318028/step Wall: 10481.3, 0.00318028/step, 1.50321 hours remaining, 235.187500 MB of memory in use. ENERGY: 3298400 3977.6173 20503.9320 14385.7871 257.7065 -203340.6446 2538.5809 0.0000 0.0000 52070.4963 -109606.5245 299.2499 -161677.0208 -109241.1896 299.0302 6.7716 35.6061 759257.6251 19.9750 19.9270 PRESSURE: 3298600 4.07807 -47.5153 190.843 -47.5145 37.3604 178.545 190.842 178.544 -155.448 GPRESSURE: 3298600 8.71368 -157.761 282.859 -47.0148 89.8338 194.953 276.111 143.722 -130.564 PRESSAVG: 3298600 -29.7665 -13.9645 5.3972 -13.9644 -2.61144 -21.4395 5.39722 -21.4396 8.72985 GPRESSAVG: 3298600 -28.7345 -14.7464 4.07061 -12.6421 -5.03806 -23.0647 5.96429 -22.8818 10.0102 TIMING: 3298600 CPU: 10482, 0.00318305/step Wall: 10482, 0.00318305/step, 1.50434 hours remaining, 235.187500 MB of memory in use. ENERGY: 3298600 4027.6036 20554.4423 14427.4320 248.1138 -203171.1677 2321.9091 0.0000 0.0000 52159.8354 -109431.8316 299.7633 -161591.6670 -109074.6503 298.9540 -38.0033 -10.6723 760489.9650 -7.8827 -7.9208 PRESSURE: 3298800 133.737 39.4784 33.2917 39.4779 -4.20682 -89.1474 33.292 -89.1457 -253.266 GPRESSURE: 3298800 157.024 38.8622 136.163 45.5475 24.2223 -238.329 -57.7075 14.2418 -221.555 PRESSAVG: 3298800 51.8068 -74.248 7.26145 -74.2479 -42.4965 36.553 7.26138 36.5531 -5.53751 GPRESSAVG: 3298800 50.6282 -72.7096 8.3676 -74.6554 -41.0217 36.5185 7.61681 36.0074 -5.46195 TIMING: 3298800 CPU: 10482.6, 0.0031919/step Wall: 10482.6, 0.0031919/step, 1.50835 hours remaining, 235.187500 MB of memory in use. ENERGY: 3298800 4071.7025 20605.9227 14447.2742 255.1456 -203387.4843 2506.3580 0.0000 0.0000 52002.6806 -109498.4005 298.8601 -161501.0812 -109139.8654 299.3465 -41.2451 -13.4360 762080.7276 1.2576 1.3815 PRESSURE: 3299000 -57.3437 -308.98 -45.7658 -308.981 199.634 128.578 -45.7651 128.578 -131.393 GPRESSURE: 3299000 46.6478 -190.692 0.743196 -342.705 154.105 119.894 -80.2424 72.3918 -99.5293 PRESSAVG: 3299000 -5.83543 -64.6372 -9.92016 -64.6372 -2.41684 -26.8043 -9.92013 -26.8042 24.9151 GPRESSAVG: 3299000 -5.3287 -64.5834 -9.29209 -64.7564 -3.3962 -24.7922 -12.2002 -25.2361 25.8386 TIMING: 3299000 CPU: 10483.2, 0.00314972/step Wall: 10483.2, 0.00314972/step, 1.48824 hours remaining, 235.187500 MB of memory in use. ENERGY: 3299000 4002.3000 20568.5578 14476.8796 237.9534 -204024.6101 3113.0626 0.0000 0.0000 52382.6182 -109243.2386 301.0436 -161625.8567 -108878.3070 299.5358 3.6325 33.7412 761200.1268 5.5543 5.7046 PRESSURE: 3299200 -398.471 -27.4045 -177.034 -27.4048 -237.656 151.14 -177.034 151.139 -179.184 GPRESSURE: 3299200 -300.986 14.2567 -205.201 91.5718 -173.731 125.767 -198.992 157.737 -257.884 PRESSAVG: 3299200 35.0844 -49.4788 -10.6998 -49.4789 -18.2853 31.5772 -10.6998 31.5772 -14.0065 GPRESSAVG: 3299200 37.142 -51.6755 -12.9487 -46.4302 -18.3356 30.5276 -7.99133 32.1593 -14.6299 TIMING: 3299200 CPU: 10483.9, 0.00314013/step Wall: 10483.9, 0.00314013/step, 1.48354 hours remaining, 235.187500 MB of memory in use. ENERGY: 3299200 4002.1021 20686.0515 14470.3159 256.6861 -202983.8116 2254.5447 0.0000 0.0000 52071.0250 -109243.0863 299.2529 -161314.1113 -108878.1150 299.4934 -271.7701 -244.2002 760811.4907 0.9308 1.3922 PRESSURE: 3299400 44.3407 35.2885 107.804 35.2881 -25.9692 -2.62003 107.805 -2.6201 57.874 GPRESSURE: 3299400 106.332 54.534 172.442 -0.947921 -46.5367 31.7864 5.4571 67.0992 106.624 PRESSAVG: 3299400 35.0634 -10.2297 -37.7572 -10.2297 -24.3141 -25.7291 -37.7572 -25.729 -15.5817 GPRESSAVG: 3299400 35.0472 -8.34362 -37.598 -12.2158 -24.0628 -25.2765 -40.4074 -27.4278 -15.8248 TIMING: 3299400 CPU: 10484.5, 0.00313749/step Wall: 10484.5, 0.00313749/step, 1.48211 hours remaining, 235.187500 MB of memory in use. ENERGY: 3299400 4050.2433 20632.8490 14485.5852 235.4165 -203468.0194 2554.8870 0.0000 0.0000 52088.5418 -109420.4965 299.3536 -161509.0384 -109065.9078 299.7657 25.4152 55.4731 759798.2117 -1.6108 -1.6135 PRESSURE: 3299600 -167.334 26.1549 -208.696 26.1542 -104.871 -82.4034 -208.696 -82.4038 -233.01 GPRESSURE: 3299600 -144.093 20.3831 -131.335 -73.7226 -15.3004 6.53966 -168.08 -111.761 -258.714 PRESSAVG: 3299600 22.4777 -18.3575 -32.8957 -18.3575 2.367 -14.877 -32.8957 -14.877 11.2862 GPRESSAVG: 3299600 21.2372 -20.4765 -32.8347 -18.2641 2.26552 -12.9143 -30.2102 -16.6488 13.155 TIMING: 3299600 CPU: 10485.1, 0.00317821/step Wall: 10485.1, 0.00317821/step, 1.50117 hours remaining, 235.187500 MB of memory in use. ENERGY: 3299600 3968.2300 20596.4334 14486.9379 262.6820 -203338.0662 2479.7718 0.0000 0.0000 52253.9286 -109290.0825 300.3040 -161544.0111 -108920.2274 299.8344 -168.4052 -139.3690 761533.3551 12.0436 12.2193 PRESSURE: 3299800 -16.9973 -21.0491 168.83 -21.0486 -47.6427 -174.543 168.83 -174.543 -449.863 GPRESSURE: 3299800 -24.2899 -16.8088 217.002 45.7624 -9.80131 -147.092 89.9788 -157.919 -416.413 PRESSAVG: 3299800 -16.4736 -14.9849 -5.07751 -14.9849 15.9113 -19.8259 -5.07753 -19.8259 25.6272 GPRESSAVG: 3299800 -16.3085 -11.6518 -5.61038 -15.9022 17.1576 -21.5007 -6.62349 -18.6917 24.2098 TIMING: 3299800 CPU: 10485.8, 0.00319017/step Wall: 10485.8, 0.00319017/step, 1.50665 hours remaining, 235.187500 MB of memory in use. ENERGY: 3299800 4083.6504 20445.9458 14496.0196 249.9816 -203161.1940 2243.1370 0.0000 0.0000 52134.5320 -109507.9275 299.6179 -161642.4595 -109140.7975 299.1910 -171.5008 -150.1682 759858.2897 8.3550 8.3530 WRITING COORDINATES TO DCD FILE MD.4.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: 3300000 -101.715 -144.887 -26.903 -144.887 61.7077 -118.393 -26.903 -118.393 -174.949 GPRESSURE: 3300000 -63.1359 -124.7 -0.210127 -131.606 17.3145 -87.268 8.17316 39.7125 -87.5447 PRESSAVG: 3300000 -34.4581 -12.5746 20.2746 -12.5746 20.0618 -52.7869 20.2747 -52.7868 -3.65033 GPRESSAVG: 3300000 -35.0821 -14.6499 20.7209 -8.60969 19.1613 -51.6358 21.5067 -51.7351 -2.90538 TIMING: 3300000 CPU: 10486.4, 0.00332096/step Wall: 10486.4, 0.00332096/step, 1.56823 hours remaining, 235.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3300000 3939.9919 20439.9994 14465.1675 259.6646 -202930.0343 2422.6262 0.0000 0.0000 52026.6808 -109375.9040 298.9980 -161402.5848 -109007.3342 299.1640 -71.6523 -44.4554 761477.6256 -6.0155 -6.2754 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 PRESSURE: 3300200 -495.305 57.8946 152.841 57.8948 -282.001 -23.6828 152.842 -23.6835 234.894 GPRESSURE: 3300200 -450.724 -41.5048 107.271 99.8176 -284.994 25.6162 36.5443 -59.0293 294.966 PRESSAVG: 3300200 -79.9304 13.9722 -34.2633 13.9723 32.8046 -0.420662 -34.2633 -0.420704 25.2184 GPRESSAVG: 3300200 -79.6239 12.3408 -32.0381 12.248 32.555 -2.84855 -35.5618 -2.06652 25.1631 TIMING: 3300200 CPU: 10487.1, 0.00317006/step Wall: 10487.1, 0.00317006/step, 1.4968 hours remaining, 235.187500 MB of memory in use. ENERGY: 3300200 4022.1188 20648.3873 14435.2061 254.7350 -202988.6221 2294.0375 0.0000 0.0000 51868.2575 -109465.8799 298.0876 -161334.1374 -109104.5654 299.1775 -180.8039 -146.9171 760581.8017 -7.3024 -7.3019 LDB: ============= START OF LOAD BALANCING ============== 10499.5 LDB: ============== END OF LOAD BALANCING =============== 10499.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10499.5 LDB: ============= START OF LOAD BALANCING ============== 10499.8 LDB: Largest compute 7069 load 0.031330 is 16.0% of average load 0.195463 LDB: Average compute 0.004381 is 2.2% of average load 0.195463 LDB: TIME 10499.8 LOAD: AVG 0.195463 MAX 0.215658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 10499.8 LOAD: AVG 0.195463 MAX 0.215658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: TIME 10499.8 LOAD: AVG 0.195463 MAX 0.215658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: ============== END OF LOAD BALANCING =============== 10499.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10499.8 PRESSURE: 3300400 -183.417 -265.921 57.4524 -265.922 -154.941 -49.8249 57.4513 -49.8246 196.124 GPRESSURE: 3300400 -149.47 -203.504 9.79508 -323.992 -58.1904 -61.7786 168.161 -59.6016 139.882 PRESSAVG: 3300400 29.6717 -19.7028 -16.8233 -19.7028 7.9374 2.44663 -16.8233 2.4467 22.5743 GPRESSAVG: 3300400 29.7207 -17.8342 -17.0289 -23.1073 8.64216 3.39124 -18.4748 2.91674 21.9099 TIMING: 3300400 CPU: 10487.7, 0.0032396/step Wall: 10487.7, 0.0032396/step, 1.52945 hours remaining, 233.101562 MB of memory in use. ENERGY: 3300400 4002.1866 20629.6821 14495.6875 264.6698 -203109.9608 2174.6246 0.0000 0.0000 52258.9016 -109284.2086 300.3326 -161543.1102 -108921.8749 299.7415 -47.4114 -22.5927 761150.4692 20.0612 20.0909 PRESSURE: 3300600 111.31 -115.311 59.3202 -115.311 -195.91 -96.3478 59.3193 -96.3483 199.521 GPRESSURE: 3300600 158.032 -88.6744 40.7547 -81.1352 -116.855 -151.301 85.7266 -6.1691 164.35 PRESSAVG: 3300600 -0.127653 -56.9177 13.0921 -56.9177 3.0373 6.35329 13.0921 6.35323 8.42548 GPRESSAVG: 3300600 0.0322382 -57.7553 11.9912 -54.1842 2.13838 5.80712 15.1362 6.67314 8.98334 TIMING: 3300600 CPU: 10488.3, 0.00314068/step Wall: 10488.3, 0.00314068/step, 1.48257 hours remaining, 233.171875 MB of memory in use. ENERGY: 3300600 3997.9042 20633.9380 14441.8198 242.8823 -203385.7756 2651.0492 0.0000 0.0000 52195.5020 -109222.6801 299.9683 -161418.1821 -108866.7171 300.0993 38.3069 68.5090 761372.1525 3.7784 3.7180 PRESSURE: 3300800 -80 -130.457 -20.2702 -130.457 28.4946 -83.3298 -20.2703 -83.331 71.0044 GPRESSURE: 3300800 5.94029 -185.861 102.224 -25.2326 -0.615827 6.8567 70.2302 -203.492 96.1282 PRESSAVG: 3300800 18.9858 -68.8003 25.5732 -68.8004 -53.6429 -18.2002 25.5731 -18.2001 -6.10848 GPRESSAVG: 3300800 20.5377 -67.0705 26.0752 -69.2512 -55.7893 -16.3249 24.5978 -18.7682 -5.8844 TIMING: 3300800 CPU: 10489, 0.00314827/step Wall: 10489, 0.00314827/step, 1.48598 hours remaining, 233.171875 MB of memory in use. ENERGY: 3300800 4073.3948 20707.2061 14482.7368 239.3913 -203862.6667 3044.4911 0.0000 0.0000 52054.7261 -109260.7206 299.1592 -161315.4466 -108903.0875 300.2535 6.4997 33.8176 758989.6933 -13.5885 -13.7120 PRESSURE: 3301000 -58.178 -14.0153 -9.94218 -14.0146 -108.454 201.992 -9.94274 201.993 24.3298 GPRESSURE: 3301000 -51.5082 9.04471 41.3899 31.6434 -60.3282 196.967 88.766 174.372 64.6235 PRESSAVG: 3301000 -10.7168 -27.5197 59.5067 -27.5197 6.94363 -47.3626 59.5067 -47.3627 -15.1312 GPRESSAVG: 3301000 -11.8348 -29.4028 58.897 -28.6931 8.28034 -46.6868 59.3936 -46.7069 -15.3637 TIMING: 3301000 CPU: 10489.6, 0.00313962/step Wall: 10489.6, 0.00313962/step, 1.48172 hours remaining, 233.171875 MB of memory in use. ENERGY: 3301000 3974.2078 20605.9324 14489.5859 248.9510 -203372.5392 2726.0639 0.0000 0.0000 52097.2755 -109230.5228 299.4038 -161327.7983 -108877.7483 299.6244 -47.4341 -15.7376 760271.1994 -6.3015 -6.3061 PRESSURE: 3301200 -70.4471 -63.799 -80.1389 -63.7994 75.4261 91.2697 -80.1387 91.2701 -146.112 GPRESSURE: 3301200 -168.966 -109.107 -56.9993 36.9115 149.336 97.622 -21.743 70.3093 -59.5759 PRESSAVG: 3301200 -46.294 -7.21652 15.1951 -7.21653 20.6476 -6.82051 15.1951 -6.8205 12.1298 GPRESSAVG: 3301200 -46.1326 -5.51871 15.3692 -6.40644 20.5258 -6.67711 16.6942 -9.02315 12.5275 TIMING: 3301200 CPU: 10490.2, 0.00313058/step Wall: 10490.2, 0.00313058/step, 1.47729 hours remaining, 233.171875 MB of memory in use. ENERGY: 3301200 3996.2732 20586.8268 14511.4101 228.8489 -203023.1247 2190.5679 0.0000 0.0000 52267.5032 -109241.6947 300.3821 -161509.1979 -108878.0210 300.2841 -47.0444 -26.4017 761843.3392 -4.5056 -4.3598 PRESSURE: 3301400 -119.317 66.2126 93.6809 66.2124 126.741 6.06864 93.6809 6.06916 303.948 GPRESSURE: 3301400 14.0322 15.1444 109.802 22.6227 103.062 62.93 -147.692 -10.1391 280.794 PRESSAVG: 3301400 -33.7523 -36.8447 -53.3868 -36.8447 30.3731 16.4618 -53.3867 16.4618 -35.23 GPRESSAVG: 3301400 -35.0474 -35.8967 -53.504 -37.1793 30.6787 12.9182 -54.2331 19.2694 -34.0847 TIMING: 3301400 CPU: 10490.9, 0.00316417/step Wall: 10490.9, 0.00316417/step, 1.49296 hours remaining, 233.242188 MB of memory in use. ENERGY: 3301400 3957.3449 20516.6784 14479.0652 248.7316 -203305.9900 2501.7770 0.0000 0.0000 52288.4185 -109313.9743 300.5023 -161602.3928 -108959.2056 299.8602 103.7907 132.6293 761761.3330 -12.8698 -12.8178 PRESSURE: 3301600 124.424 278.621 -148.442 278.621 -34.8254 -73.2954 -148.442 -73.2959 -325.457 GPRESSURE: 3301600 78.6622 163.994 -186.421 244.04 -7.40119 1.65351 -119.23 20.7042 -221.972 PRESSAVG: 3301600 -19.5017 2.37778 25.316 2.37774 57.4064 -5.67787 25.316 -5.67773 20.8062 GPRESSAVG: 3301600 -18.7577 2.21047 25.0399 1.3258 58.2291 -3.28279 24.2448 -8.09894 19.6638 TIMING: 3301600 CPU: 10491.5, 0.00314316/step Wall: 10491.5, 0.00314316/step, 1.48287 hours remaining, 233.242188 MB of memory in use. ENERGY: 3301600 4044.9863 20554.5347 14438.7890 258.2438 -203192.1278 2451.6301 0.0000 0.0000 52193.9730 -109249.9709 299.9595 -161443.9439 -108893.0315 299.9847 -78.6196 -50.2371 761095.3469 19.5703 19.7117 PRESSURE: 3301800 -204.546 -112.895 -72.6842 -112.895 -10.9128 -6.10674 -72.6847 -6.10516 -161.066 GPRESSURE: 3301800 -169.713 -127.453 10.3818 -78.8962 19.9953 -5.73625 -21.5158 91.2904 -129.863 PRESSAVG: 3301800 -3.91234 21.9649 -26.0392 21.965 7.6667 -8.93643 -26.0393 -8.93635 2.11447 GPRESSAVG: 3301800 -2.656 19.8702 -26.1575 23.9873 6.36632 -9.92744 -24.1516 -6.37745 2.48247 TIMING: 3301800 CPU: 10492.1, 0.00315106/step Wall: 10492.1, 0.00315106/step, 1.48642 hours remaining, 233.242188 MB of memory in use. ENERGY: 3301800 4060.6038 20488.7111 14470.3841 247.1304 -203024.8729 2424.1347 0.0000 0.0000 51958.6350 -109375.2738 298.6070 -161333.9088 -109016.4258 299.6389 -125.5084 -93.1933 761737.4718 1.9563 2.0643 PRESSURE: 3302000 95.3802 42.8468 57.3576 42.8461 142.293 186.935 57.3578 186.935 574.209 GPRESSURE: 3302000 182.043 45.0649 87.403 3.57081 105.162 175.123 -80.8989 94.3572 597.84 PRESSAVG: 3302000 -29.6099 -10.2647 -35.421 -10.2647 15.8497 24.8123 -35.4211 24.8123 -22.9025 GPRESSAVG: 3302000 -29.6925 -7.37023 -35.0678 -10.7812 16.4886 25.0515 -36.778 24.9743 -23.4292 TIMING: 3302000 CPU: 10492.8, 0.00313798/step Wall: 10492.8, 0.00313798/step, 1.48008 hours remaining, 233.242188 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: 3302000 3866.5786 20413.3664 14517.9774 248.5360 -203593.2481 2782.4137 0.0000 0.0000 52306.6909 -109457.6850 300.6073 -161764.3759 -109079.5108 299.5312 270.6273 295.0150 761473.1711 -12.2209 -12.2110 PRESSURE: 3302200 70.2035 184.044 58.6599 184.044 78.7379 -174.99 58.6607 -174.99 -162.843 GPRESSURE: 3302200 114.166 143.864 49.8322 151.983 -1.35626 -142.55 115.671 -262.903 -56.2787 PRESSAVG: 3302200 -49.2402 11.1009 9.49493 11.1009 -10.9937 -7.16675 9.49497 -7.16676 24.9765 GPRESSAVG: 3302200 -49.8164 9.78618 10.6741 11.0305 -11.2911 -7.30055 9.47277 -9.84739 26.1287 TIMING: 3302200 CPU: 10493.4, 0.00313704/step Wall: 10493.4, 0.00313704/step, 1.47946 hours remaining, 233.242188 MB of memory in use. ENERGY: 3302200 3981.2404 20422.6788 14459.0950 253.0597 -203241.1512 2438.8566 0.0000 0.0000 52067.7652 -109618.4555 299.2342 -161686.2207 -109255.0491 299.1062 -4.6339 18.8437 760587.6568 -11.7524 -11.6596 PRESSURE: 3302400 -101.093 78.0856 55.5556 78.0853 15.6974 154.084 55.5552 154.083 209.483 GPRESSURE: 3302400 30.2805 83.8345 4.27916 74.8911 -40.7838 208.654 90.8061 162.093 237.613 PRESSAVG: 3302400 31.9159 -28.2265 79.5228 -28.2265 7.24745 -26.8477 79.5228 -26.8477 -5.81976 GPRESSAVG: 3302400 32.6026 -28.8399 77.375 -28.2307 7.0785 -27.9288 78.9682 -26.5387 -5.98833 TIMING: 3302400 CPU: 10494, 0.0031909/step Wall: 10494, 0.0031909/step, 1.50469 hours remaining, 233.242188 MB of memory in use. ENERGY: 3302400 3988.1163 20506.1770 14490.8318 222.5434 -203112.8772 2415.8223 0.0000 0.0000 51948.1548 -109541.2316 298.5468 -161489.3864 -109175.6098 299.3029 41.3624 75.7031 760030.4748 11.1145 11.2309 PRESSURE: 3302600 -4.32356 188.913 -144.543 188.914 -172.466 -177.91 -144.543 -177.91 61.2979 GPRESSURE: 3302600 38.5297 223.975 -83.5601 167.607 -149.722 -97.5912 -78.6628 -115.301 64.8272 PRESSAVG: 3302600 -16.2453 -57.5897 13.3139 -57.5897 6.0623 6.01552 13.3138 6.01551 6.85825 GPRESSAVG: 3302600 -15.3748 -56.535 13.295 -57.2724 5.94575 7.76083 13.6906 5.56625 5.85861 TIMING: 3302600 CPU: 10494.7, 0.00317405/step Wall: 10494.7, 0.00317405/step, 1.49656 hours remaining, 233.242188 MB of memory in use. ENERGY: 3302600 4035.1856 20451.4007 14398.9702 258.6774 -203295.1425 2490.8528 0.0000 0.0000 52050.6408 -109609.4150 299.1357 -161660.0558 -109253.0716 299.2406 -38.4972 -15.4551 760124.5063 -1.1082 -1.1901 PRESSURE: 3302800 228.161 24.3289 210.273 24.3284 213.023 -115.927 210.273 -115.928 344.969 GPRESSURE: 3302800 245.715 -21.9224 190.531 103.219 226.386 -155.272 154.942 -41.3594 398.685 PRESSAVG: 3302800 -41.9052 -2.06674 -6.50642 -2.0668 80.0574 -43.4388 -6.50641 -43.4388 -26.5222 GPRESSAVG: 3302800 -42.3865 -0.358154 -6.41131 -3.38217 80.0209 -43.6859 -6.85732 -42.6054 -25.5595 TIMING: 3302800 CPU: 10495.3, 0.00313547/step Wall: 10495.3, 0.00313547/step, 1.4782 hours remaining, 233.242188 MB of memory in use. ENERGY: 3302800 3995.7670 20500.4854 14443.3677 244.7138 -203217.2869 2505.5517 0.0000 0.0000 52029.2996 -109498.1016 299.0131 -161527.4012 -109132.5406 299.4061 262.0509 290.2617 759903.6581 3.8767 4.0250 PRESSURE: 3303000 96.8753 184.822 115.792 184.822 309.854 -23.7241 115.792 -23.7249 377.27 GPRESSURE: 3303000 167.249 261.406 75.7537 26.3773 341.793 -41.8975 231.116 80.3157 371.947 PRESSAVG: 3303000 23.7827 -14.3377 8.97844 -14.3377 -15.7131 -8.59648 8.97849 -8.59643 15.6891 GPRESSAVG: 3303000 23.1969 -15.9146 9.92938 -13.5905 -14.0296 -9.71826 10.9034 -9.22622 15.0862 TIMING: 3303000 CPU: 10495.9, 0.00313742/step Wall: 10495.9, 0.00313742/step, 1.47895 hours remaining, 233.242188 MB of memory in use. ENERGY: 3303000 3912.4277 20725.7181 14448.5659 260.3722 -203587.2847 2644.8888 0.0000 0.0000 52177.3742 -109417.9378 299.8641 -161595.3120 -109065.2585 299.5527 261.3331 293.6628 759057.2408 7.9195 8.0845 PRESSURE: 3303200 -5.96918 169.335 -163.226 169.336 -275.258 -269.585 -163.226 -269.586 -17.7421 GPRESSURE: 3303200 10.7877 77.5966 -129.153 151.787 -299.08 -218.913 -186.596 -178.251 73.2472 PRESSAVG: 3303200 30.0568 -18.3906 -25.5163 -18.3906 -38.4792 -0.663281 -25.5163 -0.663258 9.40081 GPRESSAVG: 3303200 30.2376 -19.6407 -26.6875 -16.9031 -38.9889 -0.578485 -26.8048 -0.63076 9.2618 TIMING: 3303200 CPU: 10496.5, 0.00311816/step Wall: 10496.5, 0.00311816/step, 1.46969 hours remaining, 233.242188 MB of memory in use. ENERGY: 3303200 4048.5543 20633.1673 14483.3498 251.1978 -203260.9142 2313.4444 0.0000 0.0000 52156.6641 -109374.5365 299.7451 -161531.2006 -109019.5900 300.1998 -99.6563 -71.6816 760961.7400 0.3261 0.1702 PRESSURE: 3303400 -337.692 -132.635 77.4669 -132.635 5.7111 94.6693 77.4675 94.669 14.0169 GPRESSURE: 3303400 -248.965 -120.388 108.806 -255.671 14.1406 141.712 75.4421 92.7173 7.12357 PRESSAVG: 3303400 8.12655 -36.8077 -15.7656 -36.8077 -6.5433 1.49604 -15.7656 1.49597 -7.86434 GPRESSAVG: 3303400 8.14052 -36.5328 -15.1697 -38.8685 -6.96707 2.6697 -15.0154 3.2529 -6.91514 TIMING: 3303400 CPU: 10497.2, 0.00313512/step Wall: 10497.2, 0.00313512/step, 1.47751 hours remaining, 233.242188 MB of memory in use. ENERGY: 3303400 3957.1044 20404.7680 14395.0720 245.4030 -203545.8286 2565.7495 0.0000 0.0000 52368.9623 -109608.7694 300.9651 -161977.7318 -109240.6302 299.9716 -105.9881 -75.9003 761327.0527 -2.0937 -1.9139 PRESSURE: 3303600 -83.2238 -216.014 -39.0762 -216.013 54.2325 -56.8322 -39.0769 -56.8327 -447.222 GPRESSURE: 3303600 12.8166 -147.638 -67.1376 -305.525 47.4004 -90.3264 -69.6289 29.6178 -444.617 PRESSAVG: 3303600 2.47428 -83.4428 34.7233 -83.4428 40.5829 -4.35441 34.7233 -4.35442 -3.83443 GPRESSAVG: 3303600 3.2768 -83.5531 34.814 -84.2869 40.3529 -5.2043 34.3429 -5.36284 -4.42235 TIMING: 3303600 CPU: 10497.8, 0.00311405/step Wall: 10497.8, 0.00311405/step, 1.46741 hours remaining, 233.242188 MB of memory in use. ENERGY: 3303600 4097.7924 20444.9842 14387.8994 253.5726 -203370.9503 2593.9786 0.0000 0.0000 52078.3857 -109514.3374 299.2952 -161592.7231 -109141.7525 298.7798 -158.7377 -128.1334 762022.3417 13.0743 13.0691 PRESSURE: 3303800 205.821 5.44621 138.708 5.44648 59.1606 89.1104 138.709 89.1114 -47.4384 GPRESSURE: 3303800 202.695 -27.6094 184.815 -98.1367 93.0087 85.3768 146.243 153.313 -9.64621 PRESSAVG: 3303800 85.0627 -38.2581 33.7204 -38.258 -56.5605 22.0812 33.7204 22.0812 10.3293 GPRESSAVG: 3303800 85.1481 -39.0886 33.9761 -37.1931 -55.779 21.1392 32.0596 21.0831 9.62136 TIMING: 3303800 CPU: 10498.4, 0.00312622/step Wall: 10498.4, 0.00312622/step, 1.47297 hours remaining, 233.242188 MB of memory in use. ENERGY: 3303800 4002.9279 20468.9727 14427.3462 248.8526 -203551.4269 2683.5339 0.0000 0.0000 52028.8897 -109690.9040 299.0107 -161719.7937 -109324.5996 299.1588 72.5144 95.3527 760484.4135 12.9438 12.9968 PRESSURE: 3304000 -313.29 -169.684 -0.690934 -169.685 2.85843 435.954 -0.690584 435.952 31.9817 GPRESSURE: 3304000 -316.753 -246.52 -12.5331 -125.532 29.6305 331.328 42.3583 349.793 90.5619 PRESSAVG: 3304000 -7.28883 -12.2042 -8.5974 -12.2042 8.3391 32.9484 -8.59744 32.9483 -12.8611 GPRESSAVG: 3304000 -8.76372 -11.0466 -7.63843 -11.1958 8.70963 32.8411 -6.93552 33.5994 -11.4532 TIMING: 3304000 CPU: 10499, 0.00313409/step Wall: 10499, 0.00313409/step, 1.4765 hours remaining, 233.242188 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: 3304000 3899.2195 20395.4443 14505.9769 240.8941 -203105.8767 2409.1205 0.0000 0.0000 51911.5871 -109743.6342 298.3366 -161655.2214 -109381.7416 298.2236 -92.8165 -65.5200 761227.1390 -3.9369 -3.8358 PRESSURE: 3304200 -458.316 -133.365 319.806 -133.366 -76.5938 -159.246 319.807 -159.246 -217.17 GPRESSURE: 3304200 -291.221 -101.77 307.934 -30.9546 -121.016 -226.987 282.637 -157.717 -272.379 PRESSAVG: 3304200 -6.22155 -66.2889 34.2674 -66.2888 -13.9145 26.8083 34.2675 26.8082 -11.1021 GPRESSAVG: 3304200 -4.03292 -66.9738 33.8542 -68.2412 -15.3729 28.3819 34.5265 27.2536 -11.8927 TIMING: 3304200 CPU: 10499.7, 0.00313462/step Wall: 10499.7, 0.00313462/step, 1.47658 hours remaining, 233.242188 MB of memory in use. ENERGY: 3304200 4005.4994 20511.8789 14406.1131 245.3176 -203289.5090 2347.0180 0.0000 0.0000 51885.6026 -109888.0793 298.1873 -161773.6820 -109525.2550 298.4798 -250.6933 -228.2054 761896.3978 -10.4127 -10.4328 LDB: ============= START OF LOAD BALANCING ============== 10512.1 LDB: ============== END OF LOAD BALANCING =============== 10512.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10512.1 LDB: ============= START OF LOAD BALANCING ============== 10512.4 LDB: Largest compute 7073 load 0.029438 is 15.1% of average load 0.195562 LDB: Average compute 0.004365 is 2.2% of average load 0.195562 LDB: TIME 10512.4 LOAD: AVG 0.195562 MAX 0.221659 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.816 MB LDB: TIME 10512.4 LOAD: AVG 0.195562 MAX 0.221659 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: TIME 10512.4 LOAD: AVG 0.195562 MAX 0.216866 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: ============== END OF LOAD BALANCING =============== 10512.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10512.4 PRESSURE: 3304400 -304.895 213.899 -16.8757 213.899 -303.113 -58.0785 -16.8759 -58.0797 251.459 GPRESSURE: 3304400 -206.137 202.987 35.9676 219.351 -327.907 -7.21372 -8.93182 -67.0915 240.903 PRESSAVG: 3304400 14.6517 2.73904 -8.42032 2.73897 -2.32081 -23.4246 -8.42035 -23.4246 -9.02687 GPRESSAVG: 3304400 13.5058 2.93594 -7.90334 3.84079 -1.72752 -23.6076 -9.67463 -22.918 -8.23505 TIMING: 3304400 CPU: 10500.3, 0.00321284/step Wall: 10500.3, 0.00321284/step, 1.51325 hours remaining, 234.332031 MB of memory in use. ENERGY: 3304400 4136.2219 20625.1245 14474.3758 251.2382 -203710.9635 2503.8613 0.0000 0.0000 51962.3914 -109757.7504 298.6286 -161720.1418 -109407.8640 298.8167 -118.8498 -97.7135 759370.9509 1.1014 1.1811 PRESSURE: 3304600 244.495 177.444 -61.0982 177.444 -35.3394 -169.434 -61.0984 -169.434 244.458 GPRESSURE: 3304600 292.385 131.836 -22.5588 195.193 -15.7871 -150.473 18.7267 -157.364 282.89 PRESSAVG: 3304600 -4.12826 1.51672 21.6065 1.51674 6.54203 -69.0976 21.6065 -69.0975 -22.538 GPRESSAVG: 3304600 -2.08572 0.466958 22.5866 1.42026 4.8578 -66.704 22.9805 -69.6303 -22.6843 TIMING: 3304600 CPU: 10500.9, 0.00312822/step Wall: 10500.9, 0.00312823/step, 1.47322 hours remaining, 234.656250 MB of memory in use. ENERGY: 3304600 3885.7054 20451.6742 14410.0731 240.3014 -203765.5169 2591.2536 0.0000 0.0000 52047.7004 -110138.8087 299.1188 -162186.5091 -109773.7410 298.4781 151.2046 186.4963 759774.9512 -6.7081 -6.6374 PRESSURE: 3304800 -8.53999 -305.47 -26.6794 -305.471 -200.974 -60.6846 -26.6788 -60.6838 -167.882 GPRESSURE: 3304800 10.6954 -199.36 -34.3989 -360.84 -82.6766 -55.3567 -36.0614 -144.718 -226.999 PRESSAVG: 3304800 52.195 -60.8695 42.2538 -60.8695 -54.3166 -52.9763 42.2538 -52.9763 -12.3116 GPRESSAVG: 3304800 49.5599 -59.4685 42.6125 -60.2822 -52.631 -55.3322 41.4724 -54.1978 -11.3882 TIMING: 3304800 CPU: 10501.6, 0.00313564/step Wall: 10501.6, 0.00313564/step, 1.47654 hours remaining, 234.726562 MB of memory in use. ENERGY: 3304800 3954.0683 20406.6662 14491.6955 267.4200 -203708.4423 2625.8254 0.0000 0.0000 51917.9192 -110044.8475 298.3730 -161962.7667 -109682.7637 298.0136 -125.7988 -99.6599 759982.8273 -4.8111 -4.8198 PRESSURE: 3305000 -59.1613 -2.85655 126.949 -2.85728 -203.875 -223.596 126.948 -223.597 -75.0177 GPRESSURE: 3305000 -76.9501 -122.399 45.7391 52.5152 -136.735 -71.3285 154.841 -144.174 -40.0568 PRESSAVG: 3305000 73.579 -13.9052 57.2806 -13.9052 -44.7495 -28.0855 57.2806 -28.0856 -6.22217 GPRESSAVG: 3305000 74.3774 -14.1243 57.3531 -14.3769 -44.4654 -28.2005 55.7025 -26.4637 -7.1618 TIMING: 3305000 CPU: 10502.2, 0.00315601/step Wall: 10502.2, 0.00315601/step, 1.48595 hours remaining, 234.726562 MB of memory in use. ENERGY: 3305000 4034.7981 20503.7032 14529.2141 233.2895 -203502.6550 2478.1541 0.0000 0.0000 51834.8735 -109888.6225 297.8957 -161723.4961 -109530.3849 298.3374 -112.6847 -84.5805 759688.3625 7.5358 7.5834 PRESSURE: 3305200 -2.96339 -185.924 189.809 -185.924 -68.1704 -48.9941 189.81 -48.9935 243.237 GPRESSURE: 3305200 7.36645 -85.1519 140.137 -124.103 6.98498 -119.01 155.029 -22.2147 220.533 PRESSAVG: 3305200 26.9346 -45.2555 -18.3988 -45.2556 -49.8514 8.95901 -18.3988 8.959 8.22313 GPRESSAVG: 3305200 26.4054 -45.2253 -20.0804 -45.9838 -49.5137 9.56785 -17.8405 8.12195 8.1626 TIMING: 3305200 CPU: 10502.8, 0.00314233/step Wall: 10502.8, 0.00314233/step, 1.47934 hours remaining, 234.726562 MB of memory in use. ENERGY: 3305200 3968.9665 20614.5163 14509.5807 241.8325 -203443.0669 2488.6336 0.0000 0.0000 51860.6820 -109758.8553 298.0441 -161619.5373 -109398.5814 298.5689 57.3678 78.2949 760557.6779 -4.8979 -4.9819 PRESSURE: 3305400 -4.87692 166.257 123.341 166.257 142.614 24.9043 123.34 24.9047 197.165 GPRESSURE: 3305400 148.669 51.1866 108.233 228.24 104.28 -3.83362 211.288 75.5204 190.35 PRESSAVG: 3305400 -28.0997 -44.8251 72.9487 -44.8251 36.7515 8.35196 72.9487 8.352 -11.3657 GPRESSAVG: 3305400 -26.4116 -46.7914 73.0935 -44.3904 35.8103 7.93917 74.7833 8.986 -12.2806 TIMING: 3305400 CPU: 10503.4, 0.00315217/step Wall: 10503.4, 0.00315217/step, 1.48379 hours remaining, 234.726562 MB of memory in use. ENERGY: 3305400 3983.8735 20579.2863 14484.1353 238.5485 -203995.1254 2920.9177 0.0000 0.0000 52080.7341 -109707.6302 299.3087 -161788.3642 -109354.0072 298.8349 111.6341 147.7662 760821.6351 -0.9046 -0.9606 PRESSURE: 3305600 -81.8678 -343.092 197.563 -343.093 148.831 116.722 197.565 116.722 -27.7699 GPRESSURE: 3305600 8.69264 -270.393 238.136 -323.167 168.793 66.3734 201.005 -1.82308 -51.9657 PRESSAVG: 3305600 -12.0914 -68.137 76.2349 -68.137 39.7207 41.6747 76.2349 41.6747 -5.12254 GPRESSAVG: 3305600 -14.0644 -67.5706 76.8564 -66.7986 40.914 40.5405 74.9348 42.2718 -3.43818 TIMING: 3305600 CPU: 10504.1, 0.00314533/step Wall: 10504.1, 0.00314533/step, 1.4804 hours remaining, 234.726562 MB of memory in use. ENERGY: 3305600 3972.8014 20525.6365 14460.6641 237.2895 -203515.1393 2667.9105 0.0000 0.0000 51903.3844 -109747.4528 298.2895 -161650.8373 -109382.8212 298.6611 13.0644 41.8399 761823.4580 7.5023 7.8038 PRESSURE: 3305800 -179.275 140.358 78.9139 140.359 -76.1484 -66.2835 78.9135 -66.283 -525.098 GPRESSURE: 3305800 -77.2898 34.6937 70.15 62.9896 -174.324 -148.204 71.0025 -16.0665 -447.772 PRESSAVG: 3305800 -7.64894 -64.4708 53.7288 -64.4707 11.5619 -0.511373 53.7288 -0.511416 -24.2549 GPRESSAVG: 3305800 -6.74623 -62.7071 52.9758 -65.5245 9.73259 0.677308 53.2442 -3.12421 -23.9178 TIMING: 3305800 CPU: 10504.7, 0.00311359/step Wall: 10504.7, 0.00311359/step, 1.46529 hours remaining, 234.726562 MB of memory in use. ENERGY: 3305800 3938.2315 20543.5838 14460.5918 260.3812 -203257.5095 2471.6993 0.0000 0.0000 51710.6556 -109872.3663 297.1818 -161583.0219 -109519.4368 298.3682 -260.1739 -233.1288 762322.8524 -6.7806 -6.9772 PRESSURE: 3306000 157.738 -153.353 -64.7518 -153.353 -15.6494 161.545 -64.7517 161.545 -116.398 GPRESSURE: 3306000 154.139 -86.7199 -37.7285 -146.343 -14.8232 96.8017 -61.1122 168.109 -44.6224 PRESSAVG: 3306000 -34.8445 -34.2456 8.88367 -34.2456 53.1971 9.02408 8.88365 9.02403 16.1315 GPRESSAVG: 3306000 -34.7286 -33.5148 10.1517 -35.0536 53.9891 8.71716 10.0074 10.1187 14.9778 TIMING: 3306000 CPU: 10505.3, 0.00311203/step Wall: 10505.3, 0.00311203/step, 1.46438 hours remaining, 234.726562 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: 3306000 3933.4923 20541.0357 14431.5913 247.4278 -203785.4535 2987.1444 0.0000 0.0000 51700.8674 -109943.8946 297.1256 -161644.7620 -109597.2576 298.0390 8.5635 31.5645 761932.3145 11.4947 11.4128 PRESSURE: 3306200 -40.5981 -42.7261 203.501 -42.7268 271.147 -81.1489 203.501 -81.1485 -4.45501 GPRESSURE: 3306200 11.6301 42.694 120.282 -20.3572 230.312 -113.541 257.415 -10.0866 64.4222 PRESSAVG: 3306200 -32.4307 -49.8547 -1.9128 -49.8547 31.2124 -5.31132 -1.91283 -5.31131 19.9908 GPRESSAVG: 3306200 -31.9502 -49.7399 -2.06324 -47.8626 29.8499 -3.66493 -2.64329 -4.67018 20.391 TIMING: 3306200 CPU: 10505.9, 0.00312097/step Wall: 10505.9, 0.00312097/step, 1.46842 hours remaining, 234.726562 MB of memory in use. ENERGY: 3306200 3956.4485 20591.0874 14476.7040 240.8445 -203364.2197 2535.9430 0.0000 0.0000 51551.7741 -110011.4183 296.2688 -161563.1924 -109653.4544 297.8530 75.3647 102.1215 761371.9517 6.2575 6.0969 PRESSURE: 3306400 530.435 -34.9868 84.6836 -34.9867 -430.815 41.9197 84.6845 41.9197 -85.0812 GPRESSURE: 3306400 431.267 -8.72972 154.806 30.0561 -286.999 -25.7943 104.789 190.313 -40.2331 PRESSAVG: 3306400 27.8674 -27.6629 35.8622 -27.663 -6.4255 21.2725 35.8622 21.2724 -4.26086 GPRESSAVG: 3306400 26.4208 -29.7993 35.2253 -28.4185 -4.77942 20.9287 34.3223 20.6624 -4.39802 TIMING: 3306400 CPU: 10506.6, 0.00310758/step Wall: 10506.6, 0.00310758/step, 1.46194 hours remaining, 234.726562 MB of memory in use. ENERGY: 3306400 3945.2861 20386.6366 14451.2688 254.2197 -203922.7441 2852.4332 0.0000 0.0000 52178.0828 -109854.8168 299.8682 -162032.8996 -109498.2724 298.6617 4.8460 34.6783 759951.5100 5.7270 5.7478 PRESSURE: 3306600 3.63594 -149.562 74.4534 -149.562 157.524 -125.242 74.4539 -125.241 -303.216 GPRESSURE: 3306600 71.8028 -130.245 50.3994 -116.203 136.975 -125.355 31.5527 -193.974 -261.268 PRESSAVG: 3306600 -52.1621 -81.6421 -31.3839 -81.6421 16.2157 -10.218 -31.3839 -10.218 -15.2657 GPRESSAVG: 3306600 -51.5793 -80.9914 -30.8484 -81.5982 14.8565 -11.093 -29.8934 -9.44215 -14.7579 TIMING: 3306600 CPU: 10507.2, 0.00311441/step Wall: 10507.2, 0.00311441/step, 1.46498 hours remaining, 234.726562 MB of memory in use. ENERGY: 3306600 3944.7934 20511.3731 14389.3303 259.6370 -203553.0462 2660.9910 0.0000 0.0000 51836.1360 -109950.7854 297.9030 -161786.9214 -109586.9795 298.4309 -47.3521 -17.4970 760854.3843 -17.0707 -17.1603 PRESSURE: 3306800 -110.962 52.6181 -48.5851 52.6179 -378.902 -100.8 -48.5848 -100.8 -291.096 GPRESSURE: 3306800 -148.817 -11.2719 -67.6079 11.6973 -275.059 -36.6255 -40.4901 21.2963 -263.131 PRESSAVG: 3306800 -31.4694 -118.761 44.3072 -118.761 15.3531 -4.45391 44.3073 -4.45391 -1.63153 GPRESSAVG: 3306800 -31.6012 -118.121 43.9634 -121.224 15.5021 -4.08082 44.1671 -5.74613 -1.29516 TIMING: 3306800 CPU: 10507.8, 0.00311139/step Wall: 10507.8, 0.00311139/step, 1.46339 hours remaining, 234.726562 MB of memory in use. ENERGY: 3306800 4029.4726 20518.1088 14458.6502 242.7482 -203289.0942 2357.2208 0.0000 0.0000 51673.4557 -110009.4380 296.9681 -161682.8937 -109655.7351 298.0845 -260.3196 -229.0026 760630.5208 -5.9159 -5.7981 PRESSURE: 3307000 -288.119 -6.6451 258.427 -6.64566 -362.327 37.9602 258.426 37.9606 -409.612 GPRESSURE: 3307000 -281.684 22.7338 277.691 139.136 -330.159 -73.4257 191.426 33.2627 -347.638 PRESSAVG: 3307000 -71.8036 -89.189 36.2291 -89.189 64.7173 10.1544 36.2291 10.1544 20.1562 GPRESSAVG: 3307000 -72.0002 -92.1437 36.8038 -86.1875 64.7014 9.10268 37.5758 12.486 19.8477 TIMING: 3307000 CPU: 10508.4, 0.00311399/step Wall: 10508.4, 0.00311399/step, 1.46444 hours remaining, 234.726562 MB of memory in use. ENERGY: 3307000 3968.7604 20429.6695 14393.1420 251.8403 -203282.1602 2368.5407 0.0000 0.0000 52035.4912 -109834.7161 299.0487 -161870.2072 -109481.3821 297.7878 -353.3525 -319.8268 760293.1673 4.3566 4.1830 PRESSURE: 3307200 -109.381 -123.201 63.2162 -123.2 -45.9349 -112.354 63.2149 -112.354 -7.30146 GPRESSURE: 3307200 -65.4012 -262.097 101.533 -193.647 73.0768 -121.01 -57.8578 -168.438 -71.9273 PRESSAVG: 3307200 48.7224 -92.3091 11.6094 -92.3091 -33.7874 -48.6161 11.6095 -48.6162 -4.34406 GPRESSAVG: 3307200 48.4448 -90.478 10.7801 -92.5133 -33.8062 -47.2487 12.4981 -50.1899 -3.55884 TIMING: 3307200 CPU: 10509.1, 0.00312734/step Wall: 10509.1, 0.00312734/step, 1.47054 hours remaining, 234.726562 MB of memory in use. ENERGY: 3307200 3975.7403 20493.0624 14472.0264 239.4387 -203848.8194 2912.4602 0.0000 0.0000 51841.3438 -109914.7477 297.9329 -161756.0915 -109563.9158 298.0443 -54.2058 -21.4173 761188.0462 3.5303 3.6933 PRESSURE: 3307400 -75.2426 -96.3431 30.5325 -96.343 361.563 386.313 30.5332 386.313 84.3303 GPRESSURE: 3307400 15.2065 -187.032 22.2287 -150.247 355.517 307.004 76.5224 276.716 111.238 PRESSAVG: 3307400 6.21986 -82.7841 51.6859 -82.7841 -20.0288 -8.99099 51.6859 -8.99092 4.66604 GPRESSAVG: 3307400 7.53509 -84.8676 51.2982 -83.5317 -19.7323 -11.317 51.0203 -8.07825 3.02684 TIMING: 3307400 CPU: 10509.7, 0.00313072/step Wall: 10509.7, 0.00313072/step, 1.47196 hours remaining, 234.726562 MB of memory in use. ENERGY: 3307400 3990.8993 20477.6315 14353.8641 256.5070 -203956.2713 2939.9407 0.0000 0.0000 52192.5632 -109744.8655 299.9514 -161937.4287 -109377.2521 298.6975 123.5501 160.6538 760187.6190 -3.0476 -3.0568 PRESSURE: 3307600 -211.885 271.528 237.2 271.529 -215.406 -31.117 237.2 -31.1165 -503.09 GPRESSURE: 3307600 -172.959 268.223 301.748 207.081 -267.363 -99.6567 198.907 -28.7995 -406.387 PRESSAVG: 3307600 9.3191 -99.3536 41.4302 -99.3536 15.8786 -20.7557 41.4302 -20.7557 22.5682 GPRESSAVG: 3307600 9.19671 -97.0476 42.5421 -98.8613 15.9235 -18.862 41.7377 -21.6272 22.3798 TIMING: 3307600 CPU: 10510.3, 0.00311919/step Wall: 10510.3, 0.00311919/step, 1.46637 hours remaining, 234.726562 MB of memory in use. ENERGY: 3307600 3998.6749 20502.9837 14438.6708 270.4320 -203180.8651 2315.8348 0.0000 0.0000 51881.3965 -109772.8724 298.1631 -161654.2689 -109390.3789 298.1999 -310.1272 -282.2361 762035.3217 15.9220 15.8333 PRESSURE: 3307800 -62.0418 192.726 20.218 192.726 53.3359 -186.083 20.2176 -186.083 39.779 GPRESSURE: 3307800 -36.8731 181.631 66.7531 118.562 84.0083 -119.06 -20.8702 -256.587 60.5082 PRESSAVG: 3307800 6.99426 -31.0625 32.3549 -31.0625 -39.8793 -60.3101 32.3549 -60.31 -9.74535 GPRESSAVG: 3307800 7.82205 -31.7201 32.6108 -32.6541 -40.9056 -63.5211 29.6054 -58.2883 -9.59329 TIMING: 3307800 CPU: 10510.9, 0.00312677/step Wall: 10510.9, 0.00312677/step, 1.46976 hours remaining, 234.726562 MB of memory in use. ENERGY: 3307800 3996.6749 20569.1114 14422.7275 231.5228 -203298.1019 2475.1672 0.0000 0.0000 52046.3424 -109556.5555 299.1110 -161602.8979 -109195.5265 298.7017 10.3577 35.8812 760225.1834 -14.2101 -14.2256 PRESSURE: 3308000 249.65 0.610159 -100.781 0.609831 54.5787 44.9057 -100.781 44.9038 108.871 GPRESSURE: 3308000 178.762 79.2567 -106.77 -21.9597 159.108 56.5803 50.5235 -34.983 153.177 PRESSAVG: 3308000 60.1326 22.5613 20.5161 22.5614 5.75518 17.1894 20.516 17.1895 19.8092 GPRESSAVG: 3308000 59.2159 23.5287 18.5039 25.2286 6.72018 20.2363 22.7849 16.3774 19.7534 TIMING: 3308000 CPU: 10511.6, 0.00311627/step Wall: 10511.6, 0.00311627/step, 1.46465 hours remaining, 234.726562 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: 3308000 3998.1289 20544.5807 14406.6040 276.6658 -203477.7642 2812.7731 0.0000 0.0000 51827.3137 -109611.6979 297.8523 -161439.0116 -109256.5632 299.0490 137.7000 163.6823 760124.1355 28.5656 28.5632 PRESSURE: 3308200 -166.218 37.9807 -126.029 37.9801 -188.89 -151.042 -126.029 -151.042 -100.752 GPRESSURE: 3308200 -178.069 -48.3734 -202.324 -47.5653 -88.9464 -213.572 -110.687 -90.0464 -109.742 PRESSAVG: 3308200 32.2752 17.8411 9.98858 17.8412 -17.4034 -41.1502 9.98854 -41.1501 3.0165 GPRESSAVG: 3308200 33.3598 16.3082 11.9531 15.7087 -18.3469 -40.3308 8.0597 -41.6412 3.06647 TIMING: 3308200 CPU: 10512.2, 0.00313115/step Wall: 10512.2, 0.00313115/step, 1.47147 hours remaining, 234.726562 MB of memory in use. ENERGY: 3308200 3912.9801 20624.0434 14455.5043 253.1679 -203095.9024 2337.7787 0.0000 0.0000 52120.5037 -109391.9243 299.5373 -161512.4280 -109031.8268 299.0557 -151.9531 -125.5855 760538.1567 5.9628 6.0265 LDB: ============= START OF LOAD BALANCING ============== 10524.6 LDB: ============== END OF LOAD BALANCING =============== 10524.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10524.6 LDB: ============= START OF LOAD BALANCING ============== 10524.9 LDB: Largest compute 7038 load 0.030563 is 15.6% of average load 0.195603 LDB: Average compute 0.004387 is 2.2% of average load 0.195603 LDB: TIME 10524.9 LOAD: AVG 0.195603 MAX 0.216953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.949 MB LDB: TIME 10524.9 LOAD: AVG 0.195603 MAX 0.216953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.949 MB LDB: TIME 10524.9 LOAD: AVG 0.195603 MAX 0.216953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.949 MB LDB: ============== END OF LOAD BALANCING =============== 10524.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10524.9 PRESSURE: 3308400 -288.349 -326.828 -81.5242 -326.828 353.413 -32.4036 -81.5244 -32.4019 73.1287 GPRESSURE: 3308400 -152.677 -262.777 -20.7665 -309.705 315.005 -63.4098 -33.8798 -123.734 42.328 PRESSAVG: 3308400 9.67393 -32.6175 1.97963 -32.6174 -1.78205 -18.0397 1.97969 -18.0398 11.7615 GPRESSAVG: 3308400 8.71911 -33.7132 1.16712 -31.9145 -0.230397 -18.8496 4.79152 -17.4927 11.0535 TIMING: 3308400 CPU: 10512.8, 0.00318945/step Wall: 10512.8, 0.00318945/step, 1.49869 hours remaining, 234.453125 MB of memory in use. ENERGY: 3308400 4028.1674 20641.9527 14421.5494 240.8129 -203521.3616 2911.9031 0.0000 0.0000 51995.5411 -109281.4350 298.8191 -161276.9761 -108933.2048 299.5278 46.0644 68.2186 760711.3925 6.5511 6.5141 PRESSURE: 3308600 19.252 -98.9167 248.753 -98.9169 136.459 -96.1902 248.752 -96.1907 4.72278 GPRESSURE: 3308600 18.3504 -185.224 203.146 -68.0922 204.524 -20.7053 150.609 -113.129 6.43169 PRESSAVG: 3308600 -0.744082 -6.27852 26.2447 -6.27851 15.5253 9.69965 26.2446 9.6996 4.68789 GPRESSAVG: 3308600 -1.08463 -5.12257 27.298 -5.82998 14.6084 10.8603 23.2842 7.80926 6.21853 TIMING: 3308600 CPU: 10513.4, 0.00312237/step Wall: 10513.4, 0.00312237/step, 1.46699 hours remaining, 234.656250 MB of memory in use. ENERGY: 3308600 3970.6098 20741.9193 14393.5528 239.8945 -203669.9858 2901.1647 0.0000 0.0000 52046.8482 -109375.9966 299.1140 -161422.8447 -109003.7621 299.5821 53.4779 76.4352 760846.7177 6.4897 6.5808 PRESSURE: 3308800 -239.675 -100.128 -12.0557 -100.128 89.6411 197.049 -12.0562 197.049 -560.916 GPRESSURE: 3308800 -176.355 -98.4766 -7.10045 -102.676 42.1078 194.957 -122.365 61.2376 -489.227 PRESSAVG: 3308800 4.47475 -69.8573 -17.2202 -69.8572 14.4997 48.8039 -17.2202 48.8039 1.32856 GPRESSAVG: 3308800 5.36791 -68.8713 -19.0428 -70.3258 14.1801 46.9603 -16.5673 48.5037 1.5783 TIMING: 3308800 CPU: 10514.1, 0.00313223/step Wall: 10514.1, 0.00313223/step, 1.47145 hours remaining, 234.656250 MB of memory in use. ENERGY: 3308800 4010.6798 20707.5922 14387.4325 238.0010 -203220.0303 2497.8956 0.0000 0.0000 52070.6705 -109307.7589 299.2509 -161378.4294 -108954.0212 299.7817 -236.9835 -207.8246 761003.9710 6.7677 7.0421 PRESSURE: 3309000 420.805 134.797 -102.638 134.798 4.91966 -45.8145 -102.639 -45.8138 184.751 GPRESSURE: 3309000 425.896 185.734 -59.7162 94.4041 89.1429 -90.6317 21.3451 -98.1628 175.068 PRESSAVG: 3309000 14.4866 -12.7486 35.0865 -12.7486 -30.4414 -6.69843 35.0865 -6.69844 12.9784 GPRESSAVG: 3309000 14.8607 -14.0521 35.3212 -12.9973 -29.4597 -8.80253 36.9195 -4.12836 10.9681 TIMING: 3309000 CPU: 10514.7, 0.00312052/step Wall: 10514.7, 0.00312052/step, 1.46578 hours remaining, 234.878906 MB of memory in use. ENERGY: 3309000 3987.2773 20578.4178 14480.3604 248.3700 -203574.9696 2697.8419 0.0000 0.0000 52207.7615 -109374.9407 300.0387 -161582.7023 -109023.7276 299.4999 203.4919 230.0355 761733.4858 -0.9921 -1.2103 PRESSURE: 3309200 -161.782 3.28179 68.7225 3.28278 -22.4006 -26.6843 68.7215 -26.6847 40.9688 GPRESSURE: 3309200 -67.0612 -115.136 3.66099 85.5215 25.2944 49.4605 -0.143831 -59.6673 -34.6951 PRESSAVG: 3309200 37.853 -13.4779 26.5503 -13.4779 -32.658 -16.0597 26.5503 -16.0596 -14.163 GPRESSAVG: 3309200 36.8144 -11.9454 27.1485 -13.1635 -33.0187 -13.9206 25.2775 -18.3141 -12.2839 TIMING: 3309200 CPU: 10515.3, 0.00313068/step Wall: 10515.3, 0.00313068/step, 1.47038 hours remaining, 234.878906 MB of memory in use. ENERGY: 3309200 3980.6785 20612.6571 14463.0402 230.3203 -203190.2479 2499.2650 0.0000 0.0000 51979.1628 -109425.1241 298.7250 -161404.2869 -109066.7980 299.2087 -47.7379 -25.4873 762592.1545 -2.9893 -2.8294 PRESSURE: 3309400 80.313 -20.8905 41.2318 -20.8902 -165.284 163.058 41.2302 163.058 60.9452 GPRESSURE: 3309400 106.572 3.61193 111.799 -96.4546 -200.982 148.641 53.7323 103.084 153.734 PRESSAVG: 3309400 43.9979 -14.8506 96.6827 -14.8506 -81.1522 -27.4408 96.6827 -27.4407 -7.8035 GPRESSAVG: 3309400 44.2281 -15.3478 97.4162 -16.2574 -80.8127 -27.5318 96.8808 -25.6593 -8.44622 TIMING: 3309400 CPU: 10515.9, 0.0031173/step Wall: 10515.9, 0.0031173/step, 1.46392 hours remaining, 234.878906 MB of memory in use. ENERGY: 3309400 3986.1832 20593.6064 14474.9144 251.9000 -203397.4749 2525.0368 0.0000 0.0000 52129.1130 -109436.7210 299.5867 -161565.8340 -109080.8799 299.3129 -8.0086 19.7748 760691.0285 -14.9859 -15.0103 PRESSURE: 3309600 -189.156 292.343 28.9746 292.343 -341.763 25.7376 28.9752 25.7379 -489.392 GPRESSURE: 3309600 -121.075 222.449 135.911 343.876 -279.587 62.3832 57.9492 32.8907 -520.949 PRESSAVG: 3309600 39.7332 -0.692267 21.3172 -0.69233 -42.702 -11.8695 21.3172 -11.8695 -3.68606 GPRESSAVG: 3309600 40.4662 -1.95188 21.3613 0.608173 -43.0102 -11.227 21.7112 -13.5288 -4.15436 TIMING: 3309600 CPU: 10516.6, 0.00312091/step Wall: 10516.6, 0.00312091/step, 1.46544 hours remaining, 234.878906 MB of memory in use. ENERGY: 3309600 3989.9568 20497.2496 14516.6808 230.1784 -203533.4685 2717.8728 0.0000 0.0000 52233.7999 -109347.7303 300.1884 -161581.5301 -108981.5324 299.2457 -340.1037 -307.2035 762013.3458 -2.2183 -2.2328 PRESSURE: 3309800 -149.461 -458.036 -193.191 -458.035 -53.9828 -228.884 -193.191 -228.884 -387.514 GPRESSURE: 3309800 -133.844 -456.399 -256.401 -367.247 -20.7595 -194.675 -183.875 -127.678 -364.155 PRESSAVG: 3309800 -13.0864 -58.0818 17.6649 -58.0818 10.3853 -29.7993 17.6649 -29.7993 16.5887 GPRESSAVG: 3309800 -12.4136 -56.843 16.8116 -56.3455 9.28629 -28.4976 17.0575 -30.9952 16.7678 TIMING: 3309800 CPU: 10517.2, 0.00313173/step Wall: 10517.2, 0.00313173/step, 1.47035 hours remaining, 235.113281 MB of memory in use. ENERGY: 3309800 3980.2839 20543.0311 14448.7659 241.1704 -203303.0713 2496.8620 0.0000 0.0000 52164.7693 -109428.1886 299.7916 -161592.9579 -109060.2465 299.9815 -196.9860 -172.9193 760801.4435 4.6292 4.5468 PRESSURE: 3310000 -75.4873 -90.6883 44.4994 -90.6876 -59.1061 188.005 44.4992 188.005 58.0797 GPRESSURE: 3310000 -23.5795 -124.703 32.5046 42.1511 -38.8524 148.346 60.9365 235.291 81.6242 PRESSAVG: 3310000 5.64119 -71.0829 -10.8884 -71.083 35.4505 2.61067 -10.8884 2.61076 -2.95985 GPRESSAVG: 3310000 5.20426 -71.766 -11.6984 -72.621 36.0863 0.769167 -9.97283 4.55348 -2.89978 TIMING: 3310000 CPU: 10517.8, 0.00313838/step Wall: 10517.8, 0.00313838/step, 1.4733 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3310000 3989.2290 20450.3894 14480.7905 235.2595 -202945.5957 2386.9002 0.0000 0.0000 52031.4903 -109371.5369 299.0257 -161403.0272 -108998.8574 299.0078 -25.5046 6.3974 762674.9375 12.7106 12.7969 PRESSURE: 3310200 -229.244 144.329 27.2731 144.328 -202.975 24.0492 27.2727 24.0497 -251.925 GPRESSURE: 3310200 -231.869 145.584 106.422 46.9748 -145.381 37.3532 60.1128 -48.8534 -200.922 PRESSAVG: 3310200 -41.0038 -72.2959 -19.4866 -72.2959 31.8639 5.57143 -19.4867 5.57136 -4.22649 GPRESSAVG: 3310200 -42.0272 -73.7336 -19.9914 -73.2221 31.7992 6.0337 -18.1116 2.63326 -3.51077 TIMING: 3310200 CPU: 10518.4, 0.00312162/step Wall: 10518.4, 0.00312162/step, 1.46525 hours remaining, 235.113281 MB of memory in use. ENERGY: 3310200 4042.3914 20620.9437 14455.0863 243.4814 -202900.3965 2214.5389 0.0000 0.0000 52057.4685 -109266.4863 299.1750 -161323.9548 -108904.3082 299.2849 -228.0482 -192.7242 762823.4973 -4.4555 -4.5796 PRESSURE: 3310400 -319.266 -70.5639 189.626 -70.5649 -183.79 82.2363 189.626 82.2364 164.183 GPRESSURE: 3310400 -242.286 -78.1089 243.347 -89.5225 -149.201 1.14399 63.2859 163.7 163.135 PRESSAVG: 3310400 2.40078 -78.9362 6.09931 -78.9362 -4.25345 10.6828 6.09935 10.6827 -4.93195 GPRESSAVG: 3310400 3.90903 -75.8213 6.0005 -78.2805 -5.15963 9.57147 5.43825 14.7826 -4.99591 TIMING: 3310400 CPU: 10519.1, 0.00314559/step Wall: 10519.1, 0.00314559/step, 1.47633 hours remaining, 235.042969 MB of memory in use. ENERGY: 3310400 3984.4899 20554.1166 14343.5589 254.6741 -202931.3023 2508.6598 0.0000 0.0000 51969.5288 -109316.2741 298.6696 -161285.8030 -108962.8816 299.5075 -112.9577 -76.1174 762427.1516 -2.2615 -2.0822 PRESSURE: 3310600 135.717 95.89 66.1395 95.8901 61.266 165.604 66.1396 165.604 410.24 GPRESSURE: 3310600 231.206 70.8709 28.5551 74.5135 107.875 124.83 11.5261 -29.6817 362.056 PRESSAVG: 3310600 68.221 -80.8374 -64.3092 -80.8374 -49.3918 -23.0164 -64.3092 -23.0165 3.85581 GPRESSAVG: 3310600 67.5955 -81.1262 -63.9079 -82.2526 -47.7141 -21.4869 -64.2085 -26.0209 2.66453 TIMING: 3310600 CPU: 10519.7, 0.0031382/step Wall: 10519.7, 0.0031382/step, 1.47269 hours remaining, 235.113281 MB of memory in use. ENERGY: 3310600 3943.1203 20618.4958 14400.1769 237.0437 -203024.2763 2649.8070 0.0000 0.0000 51989.5085 -109186.1241 298.7844 -161175.6326 -108828.7234 299.0356 202.4077 233.7124 761880.6460 7.5617 7.5153 PRESSURE: 3310800 184.057 -255.605 -49.6066 -255.605 -83.7514 -47.1748 -49.6075 -47.1755 280.922 GPRESSURE: 3310800 221.811 -262.436 -166.809 -290.767 -5.23404 -13.5854 8.68565 -225.73 252.918 PRESSAVG: 3310800 1.45127 -58.4068 -12.1818 -58.4068 -8.61258 26.6496 -12.1818 26.6496 13.5245 GPRESSAVG: 3310800 1.60282 -60.1516 -13.5415 -57.2684 -10.193 25.4917 -11.5312 26.7013 14.6188 TIMING: 3310800 CPU: 10520.3, 0.00317056/step Wall: 10520.3, 0.00317056/step, 1.4877 hours remaining, 235.113281 MB of memory in use. ENERGY: 3310800 4018.9998 20595.6448 14395.1873 263.8529 -203480.3315 2839.1440 0.0000 0.0000 52195.2039 -109172.2988 299.9666 -161367.5027 -108814.1175 299.8292 127.0761 156.4983 760892.6311 2.1211 2.0095 PRESSURE: 3311000 -110.088 -61.392 38.5375 -61.3921 -197.486 13.7375 38.5382 13.7367 -208.26 GPRESSURE: 3311000 -9.31189 -12.6459 30.1575 -123.763 -261.065 -74.4901 -49.0207 123.728 -167.947 PRESSAVG: 3311000 19.109 -47.283 -34.9991 -47.2831 10.0613 -9.4385 -34.999 -9.43857 -37.8758 GPRESSAVG: 3311000 18.7503 -47.6772 -33.2506 -48.5961 10.1033 -8.8868 -37.5601 -8.50449 -37.4181 TIMING: 3311000 CPU: 10521, 0.00313885/step Wall: 10521, 0.00313885/step, 1.47265 hours remaining, 235.113281 MB of memory in use. ENERGY: 3311000 3948.7062 20581.0731 14484.1428 262.9714 -202713.1949 2258.4908 0.0000 0.0000 52058.7527 -109119.0578 299.1824 -161177.8105 -108747.3614 299.7449 -171.9448 -146.1080 763896.5533 -2.9018 -2.8548 PRESSURE: 3311200 -67.3458 75.166 -28.9064 75.1657 -348.263 -324.299 -28.9056 -324.298 -653.038 GPRESSURE: 3311200 -47.9173 104.62 -164.924 16.5494 -313.937 -305.347 62.3 -119.284 -626.621 PRESSAVG: 3311200 58.803 -106.288 1.051 -106.288 -42.0407 20.2937 1.05104 20.2938 1.52648 GPRESSAVG: 3311200 59.329 -106.032 0.816691 -106.548 -41.1455 19.5846 3.11806 20.2147 -0.0740394 TIMING: 3311200 CPU: 10521.6, 0.00314265/step Wall: 10521.6, 0.00314265/step, 1.47425 hours remaining, 235.113281 MB of memory in use. ENERGY: 3311200 4026.8755 20701.2558 14525.4822 262.4855 -203032.8225 2281.2974 0.0000 0.0000 52173.6400 -109061.7860 299.8426 -161235.4260 -108701.9612 299.7884 -356.2154 -329.4916 765008.1085 6.0963 6.0365 PRESSURE: 3311400 73.4419 81.9541 111.737 81.9539 -47.5956 103.996 111.736 103.995 -77.4213 GPRESSURE: 3311400 132.113 23.8895 158.911 147.451 -64.1411 75.4068 31.4059 -52.9507 -12.8109 PRESSAVG: 3311400 58.7031 -25.6984 -71.5577 -25.6985 -108.982 -8.51257 -71.5577 -8.51254 -4.28465 GPRESSAVG: 3311400 58.7963 -26.6243 -72.305 -24.6314 -110.698 -7.05537 -72.9155 -9.33338 -3.07481 TIMING: 3311400 CPU: 10522.2, 0.00312413/step Wall: 10522.2, 0.00312413/step, 1.46539 hours remaining, 235.113281 MB of memory in use. ENERGY: 3311400 3970.6990 20370.7948 14397.7600 248.0394 -203039.9172 2682.0126 0.0000 0.0000 52213.7728 -109156.8386 300.0733 -161370.6115 -108794.1208 300.1617 -17.1917 18.3872 764481.3521 -18.1879 -18.3255 PRESSURE: 3311600 -393.101 -125.125 83.054 -125.125 -85.1424 -122.653 83.0541 -122.653 -600.845 GPRESSURE: 3311600 -377.589 -63.7452 173.143 -131.452 -95.5093 -155.739 -100.61 -71.3601 -506.212 PRESSAVG: 3311600 10.4106 -20.0304 -25.642 -20.0303 -50.1854 -46.229 -25.642 -46.229 19.9972 GPRESSAVG: 3311600 10.4405 -18.3669 -25.9781 -21.263 -49.7642 -48.5705 -24.3721 -45.3907 19.4526 TIMING: 3311600 CPU: 10522.8, 0.00312638/step Wall: 10522.8, 0.00312638/step, 1.46627 hours remaining, 235.113281 MB of memory in use. ENERGY: 3311600 4050.6720 20447.6640 14420.2494 249.4025 -202734.7307 2201.2618 0.0000 0.0000 52229.6635 -109135.8175 300.1646 -161365.4810 -108775.9771 299.3570 -359.6962 -326.4366 765145.3965 -6.5925 -6.6237 PRESSURE: 3311800 -230.306 18.4808 253.777 18.4807 -92.295 -21.6353 253.778 -21.6344 -129.717 GPRESSURE: 3311800 -160.262 -26.1627 204.313 39.1716 -159.129 -23.2691 199.582 -83.9454 -63.7583 PRESSAVG: 3311800 35.1507 -69.0956 -1.21567 -69.0956 -2.20012 54.7479 -1.2156 54.7479 -24.5674 GPRESSAVG: 3311800 35.125 -68.5953 -1.27166 -68.752 -1.67808 56.6235 -2.00424 54.373 -25.0159 TIMING: 3311800 CPU: 10523.5, 0.00313755/step Wall: 10523.5, 0.00313755/step, 1.47134 hours remaining, 235.113281 MB of memory in use. ENERGY: 3311800 4058.5952 20410.4179 14436.0296 244.4200 -203249.4398 2635.0461 0.0000 0.0000 52104.3985 -109360.5325 299.4447 -161464.9311 -109002.8597 299.8600 -150.7726 -127.7165 761893.8755 2.7944 2.8104 PRESSURE: 3312000 267.195 117.889 0.900477 117.889 -245.507 0.744874 0.900024 0.745355 -56.3595 GPRESSURE: 3312000 231.014 99.4875 -23.0076 93.3419 -159.082 -3.88572 -90.8159 -11.2446 -30.3421 PRESSAVG: 3312000 21.0132 8.82792 -8.51545 8.82798 -32.4756 12.9971 -8.51551 12.9971 -1.96141 GPRESSAVG: 3312000 21.5114 9.97921 -6.55181 8.52436 -32.3005 12.8697 -8.03049 12.7954 -1.91549 TIMING: 3312000 CPU: 10524.1, 0.00312127/step Wall: 10524.1, 0.00312127/step, 1.46353 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3312000 3997.0005 20489.8868 14479.9390 254.4705 -203273.1114 2690.3881 0.0000 0.0000 52054.7896 -109306.6367 299.1596 -161361.4263 -108950.0961 299.2969 -11.5574 13.8633 763195.6303 -4.4746 -4.2349 PRESSURE: 3312200 274.917 -234.578 169.011 -234.578 276.93 -31.4284 169.011 -31.4279 66.4973 GPRESSURE: 3312200 310.186 -154.721 175.564 -174.079 288.309 -61.6063 126.298 -43.7979 89.9769 PRESSAVG: 3312200 58.4258 -18.2184 1.70333 -18.2184 -22.748 -23.6519 1.70337 -23.6519 -10.2652 GPRESSAVG: 3312200 58.308 -19.5804 0.668346 -17.1977 -22.6146 -23.395 1.48806 -23.809 -10.0558 TIMING: 3312200 CPU: 10524.7, 0.00310813/step Wall: 10524.7, 0.00310813/step, 1.4572 hours remaining, 235.113281 MB of memory in use. ENERGY: 3312200 3918.6250 20440.3518 14457.0616 263.4841 -203075.7561 2324.9481 0.0000 0.0000 52436.7442 -109234.5414 301.3547 -161671.2855 -108860.0599 299.8168 206.1146 229.4906 761970.0107 8.4709 8.5459 LDB: ============= START OF LOAD BALANCING ============== 10537.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10537.1 LDB: =============== DONE WITH MIGRATION ================ 10537.1 LDB: ============= START OF LOAD BALANCING ============== 10537.5 LDB: Largest compute 7038 load 0.029988 is 15.3% of average load 0.195571 LDB: Average compute 0.004374 is 2.2% of average load 0.195571 LDB: TIME 10537.5 LOAD: AVG 0.195571 MAX 0.219795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 10537.5 LOAD: AVG 0.195571 MAX 0.219795 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 10537.5 LOAD: AVG 0.195571 MAX 0.216863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 10537.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10537.5 PRESSURE: 3312400 171.638 83.1573 211.753 83.1576 214.907 42.168 211.753 42.1674 54.0318 GPRESSURE: 3312400 248.732 234.642 246.014 127.511 183.918 73.13 137.751 60.2913 87.9741 PRESSAVG: 3312400 38.0825 -57.2148 -27.3043 -57.2148 -41.4827 -35.2192 -27.3042 -35.2192 -10.9592 GPRESSAVG: 3312400 36.9865 -57.1986 -27.0849 -55.8103 -40.7658 -35.7739 -27.6784 -33.9276 -10.4333 TIMING: 3312400 CPU: 10525.4, 0.00321086/step Wall: 10525.4, 0.00321086/step, 1.50518 hours remaining, 234.843750 MB of memory in use. ENERGY: 3312400 3963.3935 20406.1920 14302.4311 244.2760 -203250.1907 2647.5888 0.0000 0.0000 52215.7745 -109470.5349 300.0848 -161686.3093 -109098.3920 300.0459 146.8589 173.5414 759807.7536 -4.7865 -4.7375 PRESSURE: 3312600 113.898 -82.0648 -192.885 -82.0648 -91.0413 -66.0654 -192.885 -66.0656 -130.817 GPRESSURE: 3312600 115.408 -75.5029 -217.266 -158.958 7.17618 -45.3112 -81.8711 -138.14 -122.999 PRESSAVG: 3312600 20.6359 -39.1507 -8.09285 -39.1506 -1.32629 20.7487 -8.0927 20.7487 17.4663 GPRESSAVG: 3312600 21.7974 -38.8855 -6.58995 -40.2936 -2.9634 21.4487 -8.47646 20.0541 17.764 TIMING: 3312600 CPU: 10526, 0.00313681/step Wall: 10526, 0.00313681/step, 1.47029 hours remaining, 235.117188 MB of memory in use. ENERGY: 3312600 3996.5486 20524.1471 14469.8822 215.1150 -203258.1197 2667.6091 0.0000 0.0000 52171.4161 -109213.4015 299.8298 -161384.8176 -108850.3472 299.9832 -35.9870 -0.1384 759808.1899 12.2587 12.1994 PRESSURE: 3312800 -257.174 174.161 449.252 174.161 136.282 61.3428 449.253 61.3427 -58.5643 GPRESSURE: 3312800 -205.923 76.8491 437.2 100.603 185.021 122.029 372.58 65.8406 -98.4751 PRESSAVG: 3312800 7.48581 -2.03358 10.2362 -2.03354 16.4165 -17.0229 10.2362 -17.0229 -9.06169 GPRESSAVG: 3312800 6.70842 -2.22557 10.7703 -2.69241 18.2421 -16.4746 9.6106 -17.2985 -10.1785 TIMING: 3312800 CPU: 10526.6, 0.00311667/step Wall: 10526.6, 0.00311668/step, 1.46068 hours remaining, 235.242188 MB of memory in use. ENERGY: 3312800 4026.3934 20527.7783 14401.7962 227.4112 -203392.9584 2581.8716 0.0000 0.0000 52387.4997 -109240.2080 301.0717 -161627.7077 -108876.5624 300.2099 -59.8185 -39.7922 761365.6378 4.9469 4.9240 PRESSURE: 3313000 -252.41 -5.47076 -184.255 -5.47093 -136.591 -5.52844 -184.255 -5.52793 -260.8 GPRESSURE: 3313000 -192.311 81.102 -116.562 59.8071 -154.831 -13.5997 -124.031 -81.731 -237.837 PRESSAVG: 3313000 8.10855 -5.82779 -12.8296 -5.82776 21.0204 2.0354 -12.8296 2.03531 -1.09831 GPRESSAVG: 3313000 6.19727 -4.62425 -14.856 -6.39122 20.7955 2.88267 -10.8027 0.412125 0.504911 TIMING: 3313000 CPU: 10527.2, 0.00312572/step Wall: 10527.2, 0.00312572/step, 1.46474 hours remaining, 235.242188 MB of memory in use. ENERGY: 3313000 3981.1739 20588.1864 14416.5166 253.8490 -203211.3617 2604.1980 0.0000 0.0000 51981.7850 -109385.6527 298.7400 -161367.4377 -109025.7970 299.6219 -216.6003 -194.9932 761729.3045 9.3435 9.1659 PRESSURE: 3313200 50.7313 98.0968 -93.3573 98.0963 -216.232 146.773 -93.3578 146.774 152.455 GPRESSURE: 3313200 25.9689 163.203 60.5647 86.7841 -73.3203 83.1919 -178.221 57.1035 119.307 PRESSAVG: 3313200 41.6754 -16.9928 -45.0758 -16.9928 -26.3379 -33.5378 -45.0758 -33.5378 5.26522 GPRESSAVG: 3313200 43.1152 -17.1739 -43.7346 -15.316 -24.8394 -35.7233 -48.742 -31.4782 3.146 TIMING: 3313200 CPU: 10527.9, 0.00310445/step Wall: 10527.9, 0.00310445/step, 1.45461 hours remaining, 235.242188 MB of memory in use. ENERGY: 3313200 3954.3437 20559.7682 14423.9450 258.5895 -203709.8115 2796.9738 0.0000 0.0000 52149.0524 -109567.1390 299.7013 -161716.1914 -109194.6223 299.1384 -4.3484 23.9851 760151.8542 6.8676 7.1406 PRESSURE: 3313400 -149.344 100.615 184.927 100.615 307.342 -141.21 184.927 -141.211 198.985 GPRESSURE: 3313400 -32.5398 14.484 202.62 112.433 246.142 -92.095 91.4334 -164.892 231.84 PRESSAVG: 3313400 85.0032 -29.0978 -26.3411 -29.0979 -42.018 0.375906 -26.341 0.375852 -7.98577 GPRESSAVG: 3313400 86.1023 -31.2236 -27.3166 -29.2953 -43.6408 1.58633 -22.9849 -0.868861 -6.5101 TIMING: 3313400 CPU: 10528.5, 0.00312139/step Wall: 10528.5, 0.00312139/step, 1.46237 hours remaining, 235.242188 MB of memory in use. ENERGY: 3313400 4037.5089 20414.8248 14469.7114 250.7580 -203639.0895 2735.0499 0.0000 0.0000 52071.2094 -109660.0271 299.2540 -161731.2364 -109293.3335 299.5146 118.9943 148.4806 759287.8998 11.6665 11.9838 PRESSURE: 3313600 139.248 -394.926 -60.3885 -394.926 -50.1751 -60.7731 -60.3901 -60.7731 -59.2323 GPRESSURE: 3313600 166.469 -209.175 -137.176 -426.739 -52.4925 -138.234 -52.1856 44.9248 -3.4101 PRESSAVG: 3313600 42.957 -49.0955 1.22258 -49.0955 -49.4237 -14.2092 1.2226 -14.2092 16.8267 GPRESSAVG: 3313600 42.5391 -47.7971 -1.15945 -48.692 -49.7363 -14.1597 2.63002 -13.6579 17.2339 TIMING: 3313600 CPU: 10529.1, 0.00311465/step Wall: 10529.1, 0.00311465/step, 1.45904 hours remaining, 235.242188 MB of memory in use. ENERGY: 3313600 3977.0871 20550.0535 14508.5297 263.3709 -203231.4892 2458.1877 0.0000 0.0000 51716.9760 -109757.2843 297.2182 -161474.2603 -109413.6739 298.6612 9.9468 36.8553 760866.5811 3.4533 3.3456 PRESSURE: 3313800 455.788 -106.805 63.2526 -106.805 -470.921 213.969 63.253 213.969 182.961 GPRESSURE: 3313800 336.346 -94.2135 89.5447 -148.994 -335.317 139.615 174.456 215.706 264.808 PRESSAVG: 3313800 98.7123 -5.75435 4.32811 -5.75435 -122.715 44.5124 4.3281 44.5125 -6.28851 GPRESSAVG: 3313800 97.8258 -5.12877 5.99503 -8.02692 -121.208 43.8505 2.99503 44.1898 -6.8841 TIMING: 3313800 CPU: 10529.7, 0.00312453/step Wall: 10529.7, 0.00312453/step, 1.46349 hours remaining, 235.312500 MB of memory in use. ENERGY: 3313800 3978.6764 20413.6937 14474.6644 240.7507 -203372.7729 2649.7042 0.0000 0.0000 51882.6620 -109732.6215 298.1704 -161615.2835 -109366.8668 298.2160 55.9426 88.6124 760385.6000 -10.0971 -10.0888 PRESSURE: 3314000 -47.0572 62.0115 78.757 62.0107 -0.219707 81.1014 78.7574 81.1019 -623.827 GPRESSURE: 3314000 34.7996 16.969 102.118 56.2214 -116.904 32.0747 -27.7937 180.528 -486.955 PRESSAVG: 3314000 77.4653 -5.53053 24.2778 -5.53047 -35.6025 -5.93904 24.2778 -5.93911 -9.03775 GPRESSAVG: 3314000 79.0299 -7.15413 24.64 -5.02492 -36.3912 -4.58081 24.2556 -5.68978 -9.87183 TIMING: 3314000 CPU: 10530.4, 0.00312435/step Wall: 10530.4, 0.00312435/step, 1.46324 hours remaining, 235.312500 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: 3314000 3964.9206 20381.2543 14471.9737 245.0464 -202987.2950 2496.9554 0.0000 0.0000 51823.9409 -109603.2037 297.8329 -161427.1445 -109244.1110 298.4665 -223.7014 -189.6865 759670.6140 10.9417 10.9223 PRESSURE: 3314200 -97.2411 -9.65189 -138.139 -9.65236 203.483 312.312 -138.138 312.313 -415.148 GPRESSURE: 3314200 -43.8719 24.1581 -174.332 -53.7181 130.222 259.29 -82.1793 261.843 -291.791 PRESSAVG: 3314200 106.924 32.7266 -12.0218 32.7265 -19.4504 39.0062 -12.0218 39.0061 8.48843 GPRESSAVG: 3314200 107.329 34.4258 -12.5088 33.309 -20.1255 37.7746 -11.8292 40.3404 8.84925 TIMING: 3314200 CPU: 10531, 0.00314147/step Wall: 10531, 0.00314147/step, 1.47108 hours remaining, 235.312500 MB of memory in use. ENERGY: 3314200 3895.1123 20449.4301 14441.6598 238.6045 -203291.9099 2431.0740 0.0000 0.0000 52104.6346 -109731.3946 299.4461 -161836.0293 -109362.2150 298.6676 -102.9687 -68.4803 761835.3383 31.9873 32.0177 PRESSURE: 3314400 513.556 100.077 77.559 100.078 -240.235 228.418 77.5585 228.419 -290.768 GPRESSURE: 3314400 428.103 126.084 72.0133 181.479 -75.6939 188.535 79.8912 53.356 -294.695 PRESSAVG: 3314400 14.9714 -16.6686 14.3242 -16.6686 -76.9176 48.2498 14.3242 48.2498 -16.2002 GPRESSAVG: 3314400 14.0874 -18.2951 15.272 -14.6058 -75.9343 49.8183 12.6871 44.6508 -16.4007 TIMING: 3314400 CPU: 10531.6, 0.00313005/step Wall: 10531.6, 0.00313005/step, 1.46556 hours remaining, 235.312500 MB of memory in use. ENERGY: 3314400 3953.8181 20565.3816 14510.8563 244.0554 -203769.9906 2983.1888 0.0000 0.0000 51909.8301 -109602.8603 298.3265 -161512.6904 -109251.8360 298.9726 -5.8158 19.2380 761566.2659 -26.0488 -26.0825 PRESSURE: 3314600 -196.988 -104.182 123.532 -104.183 127.457 -109.337 123.531 -109.336 -314.586 GPRESSURE: 3314600 -82.3999 -147.742 116.129 7.30831 50.51 -36.7463 65.4746 -113.858 -264.984 PRESSAVG: 3314600 52.3002 -19.1661 58.9739 -19.1662 -28.7339 20.8467 58.9738 20.8467 4.6059 GPRESSAVG: 3314600 51.1812 -16.5519 58.3334 -21.9099 -29.4025 21.2261 59.0775 21.7614 5.88153 TIMING: 3314600 CPU: 10532.2, 0.00312802/step Wall: 10532.2, 0.00312802/step, 1.46444 hours remaining, 235.312500 MB of memory in use. ENERGY: 3314600 4000.8728 20256.9954 14439.4505 254.9305 -203220.0822 2568.1247 0.0000 0.0000 51956.2086 -109743.4997 298.5930 -161699.7083 -109380.1480 298.8098 -128.0391 -98.9579 761659.4721 9.3907 9.2201 PRESSURE: 3314800 165.568 105.445 -146.391 105.445 -246.762 -15.539 -146.39 -15.5376 58.244 GPRESSURE: 3314800 297.541 19.3755 -168.521 194.698 -280.049 56.047 -106.799 18.1297 44.7322 PRESSAVG: 3314800 -20.7952 2.57003 -0.517028 2.57005 -30.8361 -57.3598 -0.517045 -57.3597 3.40552 GPRESSAVG: 3314800 -19.4999 1.57289 -0.356884 4.74165 -30.4236 -56.8874 0.441046 -58.3792 1.85452 TIMING: 3314800 CPU: 10532.9, 0.00311332/step Wall: 10532.9, 0.00311332/step, 1.45738 hours remaining, 235.312500 MB of memory in use. ENERGY: 3314800 3993.0079 20374.3132 14441.9499 253.6961 -203362.3089 2729.6960 0.0000 0.0000 51855.5798 -109714.0661 298.0147 -161569.6458 -109352.3665 298.0102 -7.6502 20.7416 762051.6868 -16.0753 -16.0230 PRESSURE: 3315000 -66.6289 45.5983 6.70352 45.5985 -233.792 -127.423 6.70389 -127.424 -49.7565 GPRESSURE: 3315000 -44.6261 -18.8752 -11.5877 47.8392 -166.35 -61.5817 -44.4987 -208.087 -73.6221 PRESSAVG: 3315000 26.5671 16.3643 35.5826 16.3643 -40.4606 -16.9989 35.5826 -16.9989 13.2916 GPRESSAVG: 3315000 26.4908 16.9075 37.5358 15.1863 -40.8983 -17.3551 35.2337 -15.2581 13.9266 TIMING: 3315000 CPU: 10533.5, 0.00312191/step Wall: 10533.5, 0.00312191/step, 1.46123 hours remaining, 235.312500 MB of memory in use. ENERGY: 3315000 3928.7384 20574.6773 14497.2817 231.2093 -203516.0039 2604.2137 0.0000 0.0000 52079.8788 -109600.0048 299.3038 -161679.8835 -109238.7422 298.6026 -116.7257 -94.8661 761574.3191 -0.2006 -0.1603 PRESSURE: 3315200 105.757 230.725 105.673 230.725 184.112 176.411 105.674 176.412 14.0748 GPRESSURE: 3315200 226.122 201.449 28.4469 142.216 162.373 150.428 207.137 83.4609 -10.992 PRESSAVG: 3315200 8.60117 -2.61382 37.2946 -2.61379 5.57499 -14.1958 37.2947 -14.1959 20.8897 GPRESSAVG: 3315200 8.58242 -2.25728 35.7637 -4.4998 5.32356 -14.4111 37.6798 -15.9889 21.2394 TIMING: 3315200 CPU: 10534.1, 0.00312147/step Wall: 10534.1, 0.00312147/step, 1.46085 hours remaining, 235.312500 MB of memory in use. ENERGY: 3315200 3998.0437 20593.8602 14531.9504 224.5325 -203762.9729 2769.0854 0.0000 0.0000 51890.3581 -109755.1425 298.2146 -161645.5006 -109389.7234 298.7550 101.3148 125.8344 759352.3615 11.6886 11.7151 PRESSURE: 3315400 -116.726 42.4912 77.956 42.4905 -384.145 -34.5629 77.9565 -34.5626 295.834 GPRESSURE: 3315400 -104.231 11.8703 117.669 62.7112 -300.149 37.9716 -72.0813 27.6695 276.233 PRESSAVG: 3315400 20.2476 -16.8023 29.8624 -16.8024 -25.7369 -22.5118 29.8624 -22.5117 11.4354 GPRESSAVG: 3315400 20.5894 -18.9902 28.8028 -15.197 -24.6037 -23.1423 28.1506 -19.6217 10.0007 TIMING: 3315400 CPU: 10534.7, 0.00312545/step Wall: 10534.7, 0.00312545/step, 1.46254 hours remaining, 235.312500 MB of memory in use. ENERGY: 3315400 3914.0489 20448.1797 14470.5821 252.8903 -203341.6519 2600.7237 0.0000 0.0000 51958.6658 -109696.5614 298.6072 -161655.2272 -109338.6037 298.7475 -68.3455 -42.7153 761495.5140 1.9820 1.9955 PRESSURE: 3315600 -159.784 18.0986 75.5877 18.0977 234.127 56.4932 75.5878 56.4934 -367.712 GPRESSURE: 3315600 -64.9231 69.1342 91.9212 23.3826 207.724 81.9066 77.2769 92.3756 -350.52 PRESSAVG: 3315600 34.4079 2.70155 -0.568335 2.70149 10.0165 -27.8377 -0.568262 -27.8377 2.72706 GPRESSAVG: 3315600 33.764 5.82228 1.03014 1.63905 9.63853 -28.1163 1.30194 -29.9559 3.58076 TIMING: 3315600 CPU: 10535.4, 0.0031413/step Wall: 10535.4, 0.0031413/step, 1.46978 hours remaining, 235.312500 MB of memory in use. ENERGY: 3315600 3935.8275 20396.9745 14511.3063 245.2887 -203718.5723 2807.9730 0.0000 0.0000 51893.5361 -109927.6660 298.2329 -161821.2022 -109562.1367 298.6043 -97.7897 -69.2396 759443.6025 15.7172 15.6611 PRESSURE: 3315800 77.6123 116.515 -296.351 116.514 5.76282 -145.035 -296.35 -145.034 -590.714 GPRESSURE: 3315800 105.045 58.338 -283.731 138.353 57.2106 -128.637 -238.465 -0.504034 -597.57 PRESSAVG: 3315800 -9.65351 -44.4429 4.9839 -44.4429 -3.87553 -31.607 4.98395 -31.6069 -9.28452 GPRESSAVG: 3315800 -9.34806 -45.0262 5.6281 -46.808 -4.23224 -31.2506 5.06278 -32.458 -9.40904 TIMING: 3315800 CPU: 10536, 0.00314053/step Wall: 10536, 0.00314053/step, 1.46925 hours remaining, 235.312500 MB of memory in use. ENERGY: 3315800 3972.1650 20369.3526 14493.3092 248.7855 -203423.1869 2499.4570 0.0000 0.0000 51952.7193 -109887.3983 298.5730 -161840.1176 -109530.4962 298.2879 -169.1128 -145.1048 761841.8292 -7.6045 -7.6631 PRESSURE: 3316000 98.9239 43.3356 -102.747 43.3355 25.1281 -54.4989 -102.748 -54.499 168.24 GPRESSURE: 3316000 207.488 59.772 -55.0081 1.09055 20.5216 -94.3032 -137.576 -101.326 147.871 PRESSAVG: 3316000 62.5161 17.3678 -8.13266 17.3678 -0.327198 -35.7086 -8.13262 -35.7086 15.8912 GPRESSAVG: 3316000 63.9741 16.0302 -8.46109 20.9141 -1.5349 -35.9214 -7.81096 -35.3632 16.7267 TIMING: 3316000 CPU: 10536.6, 0.00314029/step Wall: 10536.6, 0.00314029/step, 1.46896 hours remaining, 235.312500 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: 3316000 3911.3977 20478.9401 14447.0788 233.5701 -203581.2039 2853.3232 0.0000 0.0000 51933.3853 -109723.5087 298.4619 -161656.8940 -109360.4614 298.5245 97.4306 125.2937 762931.0406 26.0267 26.3886 PRESSURE: 3316200 -120.396 4.87326 -86.2339 4.87374 -386.273 -120.376 -86.2339 -120.376 156.203 GPRESSURE: 3316200 -104.555 9.26195 -84.995 40.2123 -335.985 -76.8637 -1.0227 -8.08208 173.924 PRESSAVG: 3316200 31.7584 31.8161 67.527 31.8161 -44.522 40.1254 67.5271 40.1254 -5.49691 GPRESSAVG: 3316200 31.043 29.9819 67.3762 30.9101 -43.7366 41.1779 67.868 40.0413 -5.34861 TIMING: 3316200 CPU: 10537.2, 0.00315094/step Wall: 10537.2, 0.00315094/step, 1.47377 hours remaining, 235.312500 MB of memory in use. ENERGY: 3316200 4022.2713 20237.9209 14429.2939 240.6492 -203603.3644 2854.7260 0.0000 0.0000 51939.6776 -109878.8255 298.4980 -161818.5031 -109511.9269 298.1822 -116.8217 -88.8719 763547.6332 -6.0869 -6.0141 LDB: ============= START OF LOAD BALANCING ============== 10549.7 LDB: ============== END OF LOAD BALANCING =============== 10549.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10549.7 LDB: ============= START OF LOAD BALANCING ============== 10550 LDB: Largest compute 7038 load 0.029647 is 15.2% of average load 0.195559 LDB: Average compute 0.004371 is 2.2% of average load 0.195559 LDB: TIME 10550 LOAD: AVG 0.195559 MAX 0.213853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.816 MB LDB: TIME 10550 LOAD: AVG 0.195559 MAX 0.213853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: TIME 10550 LOAD: AVG 0.195559 MAX 0.213853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: ============== END OF LOAD BALANCING =============== 10550 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 PRESSURE: 3316400 -98.3862 -7.13115 157.223 -7.13098 11.733 -13.7121 157.224 -13.7112 -347.72 GPRESSURE: 3316400 -59.1951 -89.4335 115.014 -27.8399 7.44289 -109.412 203.315 21.997 -276.992 PRESSAVG: 3316400 24.9946 -29.7913 -30.4375 -29.7913 -66.775 -1.90816 -30.4376 -1.9082 -3.00656 GPRESSAVG: 3316400 24.7249 -29.0746 -31.7378 -30.5833 -67.1789 -1.72229 -30.4688 -1.02714 -2.91083 TIMING: 3316400 CPU: 10537.9, 0.00321028/step Wall: 10537.9, 0.00321028/step, 1.50134 hours remaining, 235.542969 MB of memory in use. ENERGY: 3316400 3953.3072 20464.0597 14399.4137 270.5314 -203168.0609 2485.4126 0.0000 0.0000 51784.3339 -109811.0023 297.6053 -161595.3361 -109447.8841 297.7822 -144.7911 -109.5814 761828.2878 -14.9290 -15.1216 PRESSURE: 3316600 73.6191 -129.68 282.553 -129.68 233.422 119.793 282.553 119.793 393.914 GPRESSURE: 3316600 147.962 -122.723 269.077 -127.229 258.534 103.359 158.39 155.126 389.44 PRESSAVG: 3316600 -30.6864 3.91374 0.21547 3.91372 30.1071 9.8481 0.215488 9.84806 9.03186 GPRESSAVG: 3316600 -31.1458 3.68578 2.35705 4.16209 30.9904 9.62961 -2.3127 9.26166 7.90385 TIMING: 3316600 CPU: 10538.5, 0.00313688/step Wall: 10538.5, 0.00313688/step, 1.46684 hours remaining, 235.746094 MB of memory in use. ENERGY: 3316600 3924.3715 20519.3399 14453.0341 232.8778 -203753.5660 2914.8179 0.0000 0.0000 51855.3155 -109853.8093 298.0132 -161709.1248 -109497.6156 298.2733 233.6516 265.3120 763209.9940 2.8175 2.5828 PRESSURE: 3316800 -254.147 68.4054 -175.161 68.4054 -32.3335 12.7485 -175.161 12.7482 -245.656 GPRESSURE: 3316800 -196.241 6.68325 -173.653 43.2505 -28.5085 65.0122 -158.393 56.93 -218.892 PRESSAVG: 3316800 54.1047 62.3694 -10.563 62.3694 2.77683 -20.9267 -10.563 -20.9268 22.4496 GPRESSAVG: 3316800 56.0783 65.0139 -12.4845 63.4052 1.40555 -20.8995 -9.26827 -20.5008 21.587 TIMING: 3316800 CPU: 10539.1, 0.00312871/step Wall: 10539.1, 0.00312871/step, 1.46285 hours remaining, 235.746094 MB of memory in use. ENERGY: 3316800 3986.3761 20534.5957 14355.9192 255.3704 -203451.1683 2599.1071 0.0000 0.0000 52137.6946 -109582.1053 299.6360 -161719.7999 -109206.9520 298.5020 -177.3787 -147.8803 762934.6007 26.4437 26.3570 PRESSURE: 3317000 170.733 -41.6678 33.1804 -41.6686 34.2194 -46.1058 33.1804 -46.1063 296.773 GPRESSURE: 3317000 191.757 -63.4213 126.206 -46.2604 108.975 -34.8423 37.3139 -86.1571 298.439 PRESSAVG: 3317000 23.8273 8.73494 48.2169 8.73494 -67.6656 21.9212 48.2169 21.9213 -11.9326 GPRESSAVG: 3317000 22.1426 7.94473 49.6134 8.57496 -67.5711 21.9203 48.5623 21.8863 -10.4115 TIMING: 3317000 CPU: 10539.8, 0.00313277/step Wall: 10539.8, 0.00313277/step, 1.46457 hours remaining, 235.746094 MB of memory in use. ENERGY: 3317000 4003.9297 20480.0004 14422.0222 267.0388 -203362.3068 2646.9449 0.0000 0.0000 52130.5787 -109411.7921 299.5952 -161542.3708 -109038.0117 298.7469 167.2417 199.7236 763483.2198 -18.5903 -18.6133 PRESSURE: 3317200 -146.093 142.257 -75.8892 142.257 -170.741 -80.4658 -75.8886 -80.4665 163.237 GPRESSURE: 3317200 -132.389 80.9377 -57.0115 129.015 -78.8715 -21.3164 -4.37357 -62.2226 118.301 PRESSAVG: 3317200 -8.88667 6.58125 15.1601 6.58129 31.0124 -24.3594 15.1601 -24.3596 1.71093 GPRESSAVG: 3317200 -9.18195 6.1704 14.0746 5.16208 31.7859 -26.5308 16.0004 -24.2877 0.903488 TIMING: 3317200 CPU: 10540.4, 0.0031395/step Wall: 10540.4, 0.0031395/step, 1.46754 hours remaining, 235.945312 MB of memory in use. ENERGY: 3317200 3951.7213 20480.2769 14411.3523 272.6138 -203415.5685 2787.7190 0.0000 0.0000 52158.3802 -109353.5050 299.7549 -161511.8852 -108995.0877 299.6888 -51.1989 -30.9864 763108.1363 7.9455 7.8358 PRESSURE: 3317400 267.405 86.9867 -33.2981 86.9873 32.8863 176.208 -33.299 176.208 -88.2485 GPRESSURE: 3317400 289.818 -68.3436 -50.6573 31.0105 96.5393 212.433 -181.298 94.7602 -88.4221 PRESSAVG: 3317400 14.1072 -13.1138 5.92099 -13.1139 -19.5828 -51.3878 5.92102 -51.3878 6.77999 GPRESSAVG: 3317400 13.945 -13.9259 5.9134 -14.1997 -18.2892 -48.6689 6.5429 -52.8323 6.06183 TIMING: 3317400 CPU: 10541, 0.00315145/step Wall: 10541, 0.00315145/step, 1.47295 hours remaining, 235.945312 MB of memory in use. ENERGY: 3317400 3984.7964 20494.3838 14425.1880 248.1628 -203266.7051 2493.2678 0.0000 0.0000 52303.9757 -109316.9306 300.5917 -161620.9063 -108946.1956 299.1137 70.6809 99.3118 762716.0981 0.4348 0.5726 PRESSURE: 3317600 -58.0308 -86.7434 81.5865 -86.7432 -159.442 -328.003 81.5854 -328.003 125.415 GPRESSURE: 3317600 -103.391 -10.2454 203.197 -97.6302 22.7097 -318.497 71.9331 -143.572 79.3585 PRESSAVG: 3317600 -80.8973 -26.6521 54.6814 -26.6521 82.1992 -23.8496 54.6814 -23.8497 8.96936 GPRESSAVG: 3317600 -80.5225 -26.9351 56.8642 -22.8002 81.5642 -25.1438 51.6218 -21.1939 9.27107 TIMING: 3317600 CPU: 10541.7, 0.0031364/step Wall: 10541.7, 0.0031364/step, 1.46574 hours remaining, 236.156250 MB of memory in use. ENERGY: 3317600 3971.7378 20359.0798 14433.0177 246.0373 -203125.2592 2605.3867 0.0000 0.0000 51991.4708 -109518.5292 298.7957 -161510.0000 -109148.8550 299.3364 -30.6858 -0.4410 762168.4174 3.4238 3.4376 PRESSURE: 3317800 -124.507 153.131 -35.5931 153.13 130.907 -125.235 -35.5936 -125.235 36.1051 GPRESSURE: 3317800 -1.04306 39.3697 1.48495 204.292 79.5087 -112.485 75.6867 -117.227 45.0954 PRESSAVG: 3317800 -6.54712 77.8491 5.72199 77.849 12.6059 -24.9498 5.72193 -24.9497 -7.02299 GPRESSAVG: 3317800 -6.09901 77.692 4.08459 76.8912 11.1664 -22.8716 6.67413 -26.4646 -6.02919 TIMING: 3317800 CPU: 10542.3, 0.00313076/step Wall: 10542.3, 0.00313076/step, 1.46293 hours remaining, 236.156250 MB of memory in use. ENERGY: 3317800 4036.6345 20519.8628 14431.4916 257.9483 -203449.5057 2633.1243 0.0000 0.0000 51888.0502 -109682.3941 298.2013 -161570.4443 -109318.4323 298.5761 14.1684 41.1870 762341.3443 -0.3214 -0.3206 PRESSURE: 3318000 20.4759 -96.3855 -63.5509 -96.3858 -276.233 -70.1104 -63.5513 -70.1102 10.6104 GPRESSURE: 3318000 14.1053 -117.379 -94.6098 -182.159 -145.666 -38.1193 -75.582 -117.732 -33.1115 PRESSAVG: 3318000 39.9267 29.2342 9.19942 29.2341 -19.5112 51.7154 9.19946 51.7155 8.04148 GPRESSAVG: 3318000 40.1915 31.5286 8.68429 28.2559 -18.4034 49.3795 9.73919 52.1324 6.72354 TIMING: 3318000 CPU: 10542.9, 0.00315179/step Wall: 10542.9, 0.00315179/step, 1.47259 hours remaining, 236.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3318000 4003.5572 20626.2124 14431.9516 233.6145 -203690.3060 2760.9206 0.0000 0.0000 52057.2104 -109576.8393 299.1735 -161634.0497 -109217.5665 298.7795 -81.7157 -54.8907 762961.4401 9.4857 9.5039 PRESSURE: 3318200 -46.3503 18.3025 158.745 18.3029 63.4826 -42.9953 158.745 -42.9944 -133.389 GPRESSURE: 3318200 82.2454 12.4896 111.552 21.6558 98.7481 -14.1125 239.436 18.7266 -209.121 PRESSAVG: 3318200 -29.2221 1.87735 16.7266 1.87731 -10.8633 40.3429 16.7267 40.3429 -1.53171 GPRESSAVG: 3318200 -29.3883 -0.495957 15.7453 2.36584 -10.7526 40.6727 19.608 39.5955 -1.6673 TIMING: 3318200 CPU: 10543.5, 0.00312251/step Wall: 10543.5, 0.00312251/step, 1.45873 hours remaining, 236.156250 MB of memory in use. ENERGY: 3318200 3977.7671 20393.4673 14477.6712 268.3844 -203568.2058 2895.0475 0.0000 0.0000 51964.7067 -109591.1616 298.6419 -161555.8683 -109223.4584 298.9344 -38.7523 -9.3759 763584.5315 -13.8724 -13.9361 PRESSURE: 3318400 -231.52 159.536 145.69 159.535 20.9169 -25.669 145.691 -25.6671 14.2416 GPRESSURE: 3318400 -87.4587 90.1249 163.754 77.4375 23.2883 -28.4444 86.3515 -14.7259 -43.1179 PRESSAVG: 3318400 -4.91476 33.813 28.6821 33.813 16.0314 -6.39873 28.6821 -6.39874 -8.03331 GPRESSAVG: 3318400 -5.91489 35.356 31.0026 31.7524 16.5391 -6.02246 24.482 -8.50014 -7.27302 TIMING: 3318400 CPU: 10544.2, 0.00313155/step Wall: 10544.2, 0.00313155/step, 1.46278 hours remaining, 236.156250 MB of memory in use. ENERGY: 3318400 3999.6016 20589.2342 14465.2244 257.8161 -203324.3134 2376.7406 0.0000 0.0000 51921.0556 -109714.6409 298.3910 -161635.6965 -109354.5739 298.8412 -65.4538 -35.7628 761866.8500 1.0278 1.1171 PRESSURE: 3318600 -158.487 7.96418 -23.2461 7.96377 -330.419 -156.77 -23.2455 -156.77 -257.724 GPRESSURE: 3318600 -96.0174 -34.2407 -66.2124 -20.784 -318.118 -85.9035 49.4947 -164.739 -239.48 PRESSAVG: 3318600 26.6781 44.7341 17.4023 44.7341 9.64454 -35.1494 17.4023 -35.1494 28.3493 GPRESSAVG: 3318600 26.5447 43.9722 17.1473 47.1802 9.46223 -33.6576 20.6722 -33.1745 28.5415 TIMING: 3318600 CPU: 10544.8, 0.00313428/step Wall: 10544.8, 0.00313428/step, 1.46388 hours remaining, 236.156250 MB of memory in use. ENERGY: 3318600 4004.3532 20589.7099 14419.5566 248.3683 -203374.1935 2381.1092 0.0000 0.0000 51913.6080 -109817.4883 298.3482 -161731.0963 -109450.4438 297.9744 -248.8769 -217.8718 760711.9084 21.5573 21.5161 PRESSURE: 3318800 -129.266 16.444 -12.254 16.4449 -311.956 -10.6832 -12.254 -10.6841 -337.339 GPRESSURE: 3318800 -63.0309 49.5 84.9083 -87.6336 -344.258 -76.6759 -20.932 -107.3 -263.605 PRESSAVG: 3318800 53.6576 9.29849 10.4925 9.29847 -34.2327 68.1977 10.4925 68.1977 -12.8205 GPRESSAVG: 3318800 54.8 9.54437 9.66954 6.63522 -34.5438 66.856 10.2997 68.8415 -13.1727 TIMING: 3318800 CPU: 10545.4, 0.00314098/step Wall: 10545.4, 0.00314098/step, 1.46684 hours remaining, 236.156250 MB of memory in use. ENERGY: 3318800 4058.3855 20523.6441 14455.3567 239.2964 -203510.7998 2378.6077 0.0000 0.0000 52091.3003 -109764.2091 299.3694 -161855.5094 -109395.6953 298.3319 -259.5201 -223.6313 759551.7756 2.2015 2.3612 PRESSURE: 3319000 -40.3333 139.662 136.275 139.661 -435.703 -160.066 136.275 -160.066 -458.771 GPRESSURE: 3319000 46.3699 195.012 159.016 105.59 -467.646 -99.7901 211.483 -112.651 -431.842 PRESSAVG: 3319000 24.0826 -37.3648 18.8443 -37.3648 -2.00194 0.422933 18.8443 0.422962 28.3589 GPRESSAVG: 3319000 23.347 -38.1327 17.7488 -36.5913 -1.64572 0.575566 19.6241 -1.24135 28.6491 TIMING: 3319000 CPU: 10546, 0.00312865/step Wall: 10546, 0.00312865/step, 1.46091 hours remaining, 236.156250 MB of memory in use. ENERGY: 3319000 3965.7457 20454.5854 14508.6136 240.9885 -203319.4184 2537.6720 0.0000 0.0000 51976.2848 -109635.5283 298.7084 -161611.8131 -109266.7625 299.1106 -311.6023 -284.3729 762493.6138 16.8132 16.7835 PRESSURE: 3319200 -43.1276 -57.0693 255.067 -57.0696 -108.17 -65.003 255.067 -65.0035 -5.17389 GPRESSURE: 3319200 15.8493 -109.461 241.971 -90.2977 -95.4983 -19.5659 261.11 -125.128 25.0778 PRESSAVG: 3319200 22.9274 15.4551 40.2886 15.4551 -33.9844 -13.5353 40.2885 -13.5352 -12.1436 GPRESSAVG: 3319200 23.6325 13.7477 41.0694 16.631 -35.4085 -12.5878 39.2502 -14.4177 -11.2406 TIMING: 3319200 CPU: 10546.7, 0.00313773/step Wall: 10546.7, 0.00313773/step, 1.46497 hours remaining, 236.156250 MB of memory in use. ENERGY: 3319200 4029.2835 20463.9217 14469.9076 229.1722 -203465.4849 2582.2160 0.0000 0.0000 52170.9199 -109520.0641 299.8270 -161690.9840 -109147.8699 299.5048 -52.1571 -18.1904 762118.2866 -7.7335 -7.6722 PRESSURE: 3319400 351.239 42.774 208.803 42.774 -122.738 -15.2953 208.803 -15.2959 -55.1629 GPRESSURE: 3319400 338.635 113.633 212.524 56.244 -98.1582 5.61466 288.847 -27.556 1.41807 PRESSAVG: 3319400 -2.89815 6.13651 33.7703 6.13657 9.71944 14.8125 33.7703 14.8125 -13.3568 GPRESSAVG: 3319400 -3.17021 8.15602 32.689 5.50459 9.85383 13.258 32.0985 17.0932 -13.5721 TIMING: 3319400 CPU: 10547.3, 0.00311924/step Wall: 10547.3, 0.00311924/step, 1.45617 hours remaining, 236.156250 MB of memory in use. ENERGY: 3319400 3988.4391 20689.0551 14355.6035 226.8626 -203542.2922 2670.4958 0.0000 0.0000 51971.4257 -109640.4104 298.6805 -161611.8361 -109279.4012 298.9674 57.7796 80.6315 763164.8870 -2.1785 -2.2962 PRESSURE: 3319600 278.227 140.268 118.009 140.268 253.468 -128.042 118.009 -128.041 120.4 GPRESSURE: 3319600 360.19 221.101 175.454 145.361 262.671 -94.6269 148.422 35.4958 104.77 PRESSAVG: 3319600 20.5482 25.5395 7.19557 25.5395 -24.4773 -1.24833 7.19557 -1.24829 -1.74714 GPRESSAVG: 3319600 19.9824 25.4149 7.35695 27.1698 -23.7615 -0.174573 10.0535 -0.818717 -1.93135 TIMING: 3319600 CPU: 10547.9, 0.00312969/step Wall: 10547.9, 0.00312969/step, 1.46087 hours remaining, 236.156250 MB of memory in use. ENERGY: 3319600 3993.8656 20459.3123 14456.1478 237.0310 -203965.6581 2829.2885 0.0000 0.0000 52497.7024 -109492.3104 301.7050 -161990.0129 -109119.1516 298.8945 217.3653 242.5437 760082.6334 -1.8921 -1.9035 PRESSURE: 3319800 -158.21 24.4984 71.894 24.4979 -143.488 60.2919 71.8943 60.292 194.955 GPRESSURE: 3319800 -120.846 9.02544 70.2644 134.582 -139.319 104.565 -23.9658 230.719 240.835 PRESSAVG: 3319800 6.63572 27.8382 5.93687 27.8381 -7.04976 -13.5826 5.93684 -13.5826 3.9653 GPRESSAVG: 3319800 7.4627 27.9375 5.8642 27.6928 -7.99815 -14.0937 4.3033 -11.96 5.24315 TIMING: 3319800 CPU: 10548.5, 0.00312944/step Wall: 10548.5, 0.00312944/step, 1.46058 hours remaining, 236.156250 MB of memory in use. ENERGY: 3319800 4073.6250 20701.1423 14437.0681 245.7493 -203890.4563 2819.4280 0.0000 0.0000 51933.7893 -109679.6544 298.4642 -161613.4437 -109310.2239 299.4503 -35.5812 -6.4435 761261.0282 1.1838 1.5692 PRESSURE: 3320000 56.1597 -262.635 -23.8135 -262.634 104.488 -263.912 -23.8138 -263.912 79.9227 GPRESSURE: 3320000 85.2937 -303.216 17.1929 -253.64 142.465 -310.791 102.695 -312.492 68.3551 PRESSAVG: 3320000 63.516 9.20475 43.1584 9.20476 -61.9983 6.19326 43.1584 6.19319 -10.4162 GPRESSAVG: 3320000 63.9485 9.55523 43.1313 7.05739 -61.0073 6.01542 44.7722 4.55571 -11.9496 TIMING: 3320000 CPU: 10549.2, 0.0031265/step Wall: 10549.2, 0.0031265/step, 1.45903 hours remaining, 236.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3320000 4021.3961 20610.8588 14554.8712 249.8222 -203563.5985 2649.1988 0.0000 0.0000 51960.5022 -109516.9492 298.6177 -161477.4514 -109157.6412 299.4730 80.1903 98.7046 762365.6535 -2.9661 -3.0028 PRESSURE: 3320200 1.90629 100.938 233.002 100.937 254.787 -321.76 233.002 -321.76 -232.614 GPRESSURE: 3320200 22.523 105.684 275.197 113.217 214.019 -262.974 198.442 -270.085 -133.49 PRESSAVG: 3320200 -5.76977 2.03397 22.957 2.03398 1.67897 -41.5937 22.9571 -41.5938 -11.7578 GPRESSAVG: 3320200 -6.81948 1.22853 23.0398 1.2748 1.67919 -42.4549 20.1362 -43.197 -11.3175 TIMING: 3320200 CPU: 10549.8, 0.00313728/step Wall: 10549.8, 0.00313728/step, 1.46389 hours remaining, 236.156250 MB of memory in use. ENERGY: 3320200 4004.2263 20703.9439 14522.8401 238.4479 -203679.4654 2740.7028 0.0000 0.0000 51964.5337 -109504.7706 298.6409 -161469.3043 -109146.4789 299.2063 8.0267 34.3506 762221.6743 -5.2829 -5.4859 LDB: ============= START OF LOAD BALANCING ============== 10562.2 LDB: ============== END OF LOAD BALANCING =============== 10562.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10562.2 LDB: ============= START OF LOAD BALANCING ============== 10562.5 LDB: Largest compute 7036 load 0.030082 is 15.4% of average load 0.195520 LDB: Average compute 0.004378 is 2.2% of average load 0.195520 LDB: TIME 10562.5 LOAD: AVG 0.19552 MAX 0.214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 10562.5 LOAD: AVG 0.19552 MAX 0.214 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: TIME 10562.5 LOAD: AVG 0.19552 MAX 0.214 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.793 MB LDB: ============== END OF LOAD BALANCING =============== 10562.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10562.5 PRESSURE: 3320400 -117.403 116.767 -42.0439 116.767 31.4996 143.14 -42.0434 143.14 -118.207 GPRESSURE: 3320400 -148.142 70.2169 -8.47268 67.4428 27.4134 102.173 49.0633 184.794 13.2623 PRESSAVG: 3320400 -19.2756 26.5102 19.2854 26.5102 39.8536 -7.03015 19.2853 -7.03016 11.1323 GPRESSAVG: 3320400 -17.7426 26.4891 19.4977 30.1611 38.7044 -5.68719 19.7838 -5.88737 11.1214 TIMING: 3320400 CPU: 10550.4, 0.00318912/step Wall: 10550.4, 0.00318912/step, 1.4879 hours remaining, 234.847656 MB of memory in use. ENERGY: 3320400 3993.1793 20600.9635 14472.3444 271.7218 -203718.2600 2832.3055 0.0000 0.0000 52076.4899 -109471.2556 299.2843 -161547.7455 -109099.0304 299.8640 -68.0369 -35.8222 761981.8521 10.5701 10.6944 PRESSURE: 3320600 242.272 -176.013 107.296 -176.014 -141.038 96.6718 107.296 96.6707 69.5531 GPRESSURE: 3320600 234.307 -167.295 111.925 -63.7454 -122.848 163.914 98.9737 -51.6116 134.727 PRESSAVG: 3320600 9.08335 -35.5476 52.601 -35.5476 -36.994 -63.1749 52.601 -63.1749 6.90769 GPRESSAVG: 3320600 8.10088 -36.352 52.9658 -35.9115 -36.1138 -63.4595 53.3337 -65.0057 7.0962 TIMING: 3320600 CPU: 10551.1, 0.00313203/step Wall: 10551.1, 0.00313203/step, 1.46109 hours remaining, 235.308594 MB of memory in use. ENERGY: 3320600 3989.8201 20658.5350 14390.0708 229.6867 -204051.8742 3049.7473 0.0000 0.0000 52293.1425 -109440.8717 300.5294 -161734.0143 -109079.4657 299.5597 56.9291 82.0620 762520.1622 -7.0010 -6.9722 PRESSURE: 3320800 -213.286 -148.286 -57.9965 -148.287 285.828 -75.7674 -57.9967 -75.7667 -422.968 GPRESSURE: 3320800 -137.189 -55.8363 -61.279 -211.56 185.547 -48.0194 -78.8219 10.2997 -319.359 PRESSAVG: 3320800 -13.2962 -46.9945 -6.42772 -46.9945 46.1827 -64.4102 -6.42772 -64.4103 -8.30374 GPRESSAVG: 3320800 -12.4654 -43.4922 -5.14114 -49.0474 44.6103 -64.6412 -5.43638 -62.8041 -7.86755 TIMING: 3320800 CPU: 10551.7, 0.00311832/step Wall: 10551.7, 0.00311832/step, 1.45452 hours remaining, 235.308594 MB of memory in use. ENERGY: 3320800 4018.0782 20567.3629 14513.4034 249.8080 -203638.8811 2806.1908 0.0000 0.0000 52097.6113 -109386.4265 299.4057 -161484.0378 -109033.5750 300.0966 -116.8088 -90.3337 763225.6731 8.1943 8.0925 PRESSURE: 3321000 -58.9449 130.337 -41.8956 130.337 -28.8571 6.29226 -41.8955 6.29078 261.038 GPRESSURE: 3321000 8.06099 78.7091 -75.2801 28.2895 7.50025 18.4429 -38.4785 -92.5402 245.137 PRESSAVG: 3321000 -43.2919 -12.0404 -34.3048 -12.0404 49.2141 -64.977 -34.3048 -64.977 -2.64332 GPRESSAVG: 3321000 -44.2494 -15.3227 -35.597 -12.531 51.0278 -65.5688 -33.6502 -66.0296 -3.05003 TIMING: 3321000 CPU: 10552.3, 0.00312695/step Wall: 10552.3, 0.00312695/step, 1.45837 hours remaining, 235.308594 MB of memory in use. ENERGY: 3321000 4036.7348 20520.1799 14416.4281 225.2001 -203650.0249 2812.3540 0.0000 0.0000 52300.6280 -109338.4999 300.5724 -161639.1279 -108965.1922 299.6440 57.7454 86.8993 761602.8881 1.0929 1.2428 PRESSURE: 3321200 -223.041 90.0947 4.00296 90.0954 218.608 56.0973 4.00365 56.0975 -71.3169 GPRESSURE: 3321200 -133.536 205.309 33.1804 32.0716 240.712 29.5263 -46.8818 66.3031 -88.1772 PRESSAVG: 3321200 -20.7001 28.7281 -48.4914 28.7281 2.26701 -21.023 -48.4914 -21.023 6.47201 GPRESSAVG: 3321200 -21.0183 30.7106 -47.3327 29.0022 3.12191 -19.9539 -51.9152 -19.8459 6.35132 TIMING: 3321200 CPU: 10552.9, 0.00313594/step Wall: 10552.9, 0.00313594/step, 1.46239 hours remaining, 235.308594 MB of memory in use. ENERGY: 3321200 4035.8869 20465.6519 14466.8922 241.9782 -203409.9221 2647.1239 0.0000 0.0000 52396.5140 -109155.8749 301.1235 -161552.3890 -108792.2051 299.8968 -25.2500 6.3330 762054.4397 -3.9870 -3.8483 PRESSURE: 3321400 294.305 30.6192 -108.262 30.6192 518.697 -54.3514 -108.262 -54.3511 225.71 GPRESSURE: 3321400 269.518 161.521 -167.46 4.17855 498.212 -92.3793 -65.3423 -5.31529 323.706 PRESSAVG: 3321400 -65.4651 -21.5976 21.6676 -21.5977 73.414 -14.746 21.6676 -14.746 7.56722 GPRESSAVG: 3321400 -66.4913 -21.6879 22.1354 -21.421 73.3402 -15.9924 22.5682 -14.7047 8.13926 TIMING: 3321400 CPU: 10553.6, 0.00312229/step Wall: 10553.6, 0.00312229/step, 1.45585 hours remaining, 235.308594 MB of memory in use. ENERGY: 3321400 3940.3629 20594.1569 14436.4221 258.1745 -203497.4146 2798.5121 0.0000 0.0000 52134.4354 -109335.3506 299.6173 -161469.7860 -108972.0296 299.9298 346.2375 363.8119 760873.7582 5.1720 4.9961 PRESSURE: 3321600 153.46 79.9454 -157.407 79.9464 -73.5613 -43.4353 -157.405 -43.4358 157.115 GPRESSURE: 3321600 184.748 35.2504 -101.201 109.708 -7.64292 -65.859 -57.9728 -73.0767 146.616 PRESSAVG: 3321600 -2.98016 -8.58752 -11.3033 -8.58744 -1.55952 10.7184 -11.3032 10.7185 19.3728 GPRESSAVG: 3321600 -1.22134 -10.6759 -12.2668 -8.413 -2.28135 12.5931 -10.4442 10.9001 18.9765 TIMING: 3321600 CPU: 10554.2, 0.00313076/step Wall: 10554.2, 0.00313076/step, 1.45963 hours remaining, 235.308594 MB of memory in use. ENERGY: 3321600 4026.2372 20523.6852 14393.5978 244.7741 -203366.9195 2814.2541 0.0000 0.0000 51896.1362 -109468.2348 298.2478 -161364.3710 -109110.4828 299.2771 79.0046 107.9069 760843.0602 4.9444 5.1579 PRESSURE: 3321800 -57.3056 -74.4918 -106.339 -74.492 -156.368 102.852 -106.339 102.851 190.17 GPRESSURE: 3321800 -18.6306 54.495 -82.0082 0.797626 -92.2954 0.899607 -86.6381 27.8039 180.516 PRESSAVG: 3321800 38.0015 -66.1987 -35.6306 -66.1986 -29.6412 -15.9107 -35.6306 -15.9107 -11.0577 GPRESSAVG: 3321800 38.0711 -65.3738 -35.7796 -66.2954 -29.4398 -16.0313 -33.6796 -17.4806 -11.6121 TIMING: 3321800 CPU: 10554.8, 0.00312837/step Wall: 10554.8, 0.00312837/step, 1.45834 hours remaining, 235.308594 MB of memory in use. ENERGY: 3321800 4026.5097 20616.4041 14420.3619 261.7978 -204025.5205 2947.0704 0.0000 0.0000 52185.5247 -109567.8521 299.9109 -161753.3768 -109208.2978 299.3883 -7.8347 23.1966 759930.6468 -0.8991 -0.9936 PRESSURE: 3322000 -54.3898 -11.6533 128.701 -11.6533 39.2634 -346.159 128.701 -346.16 -116.156 GPRESSURE: 3322000 -0.176833 -41.3191 128.805 -93.4253 45.2652 -397.675 29.664 -417.16 -87.2967 PRESSAVG: 3322000 34.4271 -0.295892 -33.0778 -0.295835 21.8344 -44.1605 -33.0778 -44.1605 9.68323 GPRESSAVG: 3322000 34.3223 -1.30001 -33.2676 -1.05879 21.3434 -44.9544 -35.4258 -41.8982 10.9297 TIMING: 3322000 CPU: 10555.4, 0.00313236/step Wall: 10555.4, 0.00313236/step, 1.46003 hours remaining, 235.308594 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: 3322000 4020.1350 20493.3725 14457.5942 259.9967 -203357.3500 2606.7919 0.0000 0.0000 52059.6544 -109459.8052 299.1875 -161519.4596 -109087.7379 299.2329 -43.7607 -14.0694 761590.3699 21.9816 22.1985 PRESSURE: 3322200 -29.9636 -272.026 31.6075 -272.026 85.9561 26.3334 31.6065 26.3337 100.912 GPRESSURE: 3322200 -6.21322 -204.377 50.7682 -220.735 52.1373 28.1858 156.209 24.7705 172.732 PRESSAVG: 3322200 23.4539 -50.6966 19.0754 -50.6966 -35.7209 -42.7266 19.0754 -42.7266 12.6175 GPRESSAVG: 3322200 24.1775 -50.4418 18.6841 -48.0179 -35.1651 -41.5767 18.8639 -46.0886 11.6173 TIMING: 3322200 CPU: 10556.1, 0.00314997/step Wall: 10556.1, 0.00314997/step, 1.46806 hours remaining, 235.308594 MB of memory in use. ENERGY: 3322200 3923.1741 20490.2105 14497.1921 259.1783 -203788.6345 3085.7979 0.0000 0.0000 52254.0287 -109279.0529 300.3046 -161533.0815 -108905.0896 299.6292 52.3016 72.8854 762761.3095 0.1168 0.2099 PRESSURE: 3322400 301.219 -117.908 24.887 -117.908 156.963 43.5529 24.8879 43.5532 295.59 GPRESSURE: 3322400 348.767 -71.6357 21.7608 -62.2793 218.433 113.496 10.1456 63.0203 273.146 PRESSAVG: 3322400 -6.51593 -7.06551 -14.6438 -7.06551 -19.3391 2.40154 -14.6438 2.40158 20.7599 GPRESSAVG: 3322400 -7.26282 -3.41076 -12.5399 -8.89248 -19.5901 3.06287 -16.0518 4.5704 21.2931 TIMING: 3322400 CPU: 10556.7, 0.00312169/step Wall: 10556.7, 0.00312169/step, 1.45471 hours remaining, 235.308594 MB of memory in use. ENERGY: 3322400 4011.9164 20596.3928 14452.9353 244.6194 -203866.5682 3029.9419 0.0000 0.0000 52056.1705 -109474.5919 299.1675 -161530.7624 -109126.6355 299.8108 251.2573 280.1153 761259.1026 -1.6984 -1.8533 PRESSURE: 3322600 -95.2527 51.4586 -103.001 51.4573 33.7606 240.222 -103.001 240.222 -142.215 GPRESSURE: 3322600 -66.8861 66.6668 -129.014 52.3358 39.9561 212.262 -0.997414 128.878 -90.6645 PRESSAVG: 3322600 6.91315 -62.0085 24.7495 -62.0086 -15.3956 7.1972 24.7495 7.19728 -26.2953 GPRESSAVG: 3322600 5.36722 -64.4223 22.1219 -61.252 -14.3079 4.66814 27.2443 6.30184 -26.1672 TIMING: 3322600 CPU: 10557.3, 0.0031578/step Wall: 10557.3, 0.0031578/step, 1.47136 hours remaining, 235.308594 MB of memory in use. ENERGY: 3322600 3942.6158 20581.4068 14490.8285 227.4932 -203687.8222 2703.1605 0.0000 0.0000 52316.0576 -109426.2598 300.6611 -161742.3174 -109066.3014 299.6366 -67.9023 -39.1982 762384.3811 -11.5926 -11.7026 PRESSURE: 3322800 190.322 15.2931 -108.973 15.2929 -562.399 -40.4418 -108.972 -40.4415 230.538 GPRESSURE: 3322800 184.859 101.233 -153.04 10.7273 -530.49 -63.7263 36.7581 -9.178 289.863 PRESSAVG: 3322800 38.4858 -31.8432 -36.2154 -31.8432 -36.3312 -22.7054 -36.2155 -22.7054 -2.93353 GPRESSAVG: 3322800 40.6981 -32.1204 -35.4356 -34.434 -37.9969 -22.6766 -37.2297 -21.7807 -3.55285 TIMING: 3322800 CPU: 10558, 0.00315455/step Wall: 10558, 0.00315455/step, 1.46967 hours remaining, 235.308594 MB of memory in use. ENERGY: 3322800 3971.0642 20470.8397 14508.6025 231.9614 -203475.7434 2656.2721 0.0000 0.0000 52085.5890 -109551.4144 299.3366 -161637.0034 -109185.7617 299.2420 -47.1796 -18.5895 762684.3437 -0.2596 -0.2839 PRESSURE: 3323000 -322.582 265.351 -191.959 265.352 -133.617 -186.752 -191.959 -186.751 -301.909 GPRESSURE: 3323000 -300.561 251.654 -181.629 180.93 -110.937 -191.669 -37.3691 -181.099 -287.488 PRESSAVG: 3323000 11.6548 30.6187 16.3244 30.6187 -32.498 19.5516 16.3243 19.5515 -14.0902 GPRESSAVG: 3323000 11.3355 28.838 16.2585 33.5097 -31.2815 19.1657 17.3733 21.4693 -14.9543 TIMING: 3323000 CPU: 10558.6, 0.00313728/step Wall: 10558.6, 0.00313728/step, 1.46145 hours remaining, 235.308594 MB of memory in use. ENERGY: 3323000 3959.5515 20643.3689 14364.4201 234.7990 -203331.2418 2274.5468 0.0000 0.0000 52280.0980 -109574.4574 300.4544 -161854.5553 -109211.5405 298.9970 -252.7023 -232.9953 762241.9904 -11.6445 -11.6334 PRESSURE: 3323200 184.875 20.3257 142.714 20.3255 -23.876 30.7636 142.714 30.7638 189.501 GPRESSURE: 3323200 155.053 -7.23829 65.243 -29.585 55.7796 -1.43077 -25.9362 -10.5425 218.36 PRESSAVG: 3323200 -12.0502 11.1573 -86.3882 11.1573 -2.62574 22.6314 -86.3882 22.6314 0.945798 GPRESSAVG: 3323200 -12.4397 14.8184 -86.726 9.91206 -2.71094 24.1421 -85.8555 20.8636 1.64871 TIMING: 3323200 CPU: 10559.2, 0.00312389/step Wall: 10559.2, 0.00312389/step, 1.45504 hours remaining, 235.308594 MB of memory in use. ENERGY: 3323200 3954.8656 20502.3154 14470.8609 267.9129 -203535.8354 2654.4477 0.0000 0.0000 52048.9158 -109636.5171 299.1258 -161685.4329 -109263.9103 298.8361 116.8332 143.0644 762188.2512 -4.5767 -4.5007 PRESSURE: 3323400 67.2336 -36.2214 56.9907 -36.2211 -41.6654 23.6038 56.991 23.6036 46.8916 GPRESSURE: 3323400 128.415 -8.73403 62.5835 80.6174 -17.4498 23.829 146.979 -47.9577 51.0961 PRESSAVG: 3323400 25.8306 -3.55437 8.28087 -3.55435 -37.2552 17.0202 8.28091 17.0203 7.60793 GPRESSAVG: 3323400 25.7044 -6.89621 7.29196 -3.42681 -36.888 15.649 7.44706 16.4691 7.78607 TIMING: 3323400 CPU: 10559.8, 0.0031239/step Wall: 10559.8, 0.0031239/step, 1.45487 hours remaining, 235.308594 MB of memory in use. ENERGY: 3323400 3936.8959 20412.8373 14486.6840 230.0048 -203479.7417 2639.0250 0.0000 0.0000 52212.8990 -109561.3955 300.0682 -161774.2945 -109195.0823 298.7079 24.1533 54.0204 762482.5480 -1.2722 -1.1325 PRESSURE: 3323600 -370.998 359.43 93.4772 359.429 -196.44 -372.853 93.477 -372.853 -369.517 GPRESSURE: 3323600 -307.719 160.401 138.415 238.186 -156.919 -385.807 28.4062 -136.578 -400.279 PRESSAVG: 3323600 46.1783 10.704 11.8011 10.7041 -32.45 -53.4335 11.8011 -53.4335 13.6393 GPRESSAVG: 3323600 47.3421 11.5604 12.2852 8.59367 -32.4184 -51.5039 10.2018 -51.4823 12.7695 TIMING: 3323600 CPU: 10560.5, 0.00311685/step Wall: 10560.5, 0.00311685/step, 1.45141 hours remaining, 235.308594 MB of memory in use. ENERGY: 3323600 4037.3742 20469.9568 14457.7583 250.5013 -203597.0405 2437.4688 0.0000 0.0000 52250.4202 -109693.5609 300.2839 -161943.9811 -109330.6629 298.9287 -312.3183 -288.3058 763083.3604 9.1225 9.2310 PRESSURE: 3323800 86.7578 -45.4649 188.448 -45.4643 -134.855 -22.8441 188.449 -22.845 -35.778 GPRESSURE: 3323800 112.218 -23.5518 61.6943 -123.346 -129.561 -45.7405 245.664 10.2152 -7.28819 PRESSAVG: 3323800 -5.90644 -6.35165 8.70296 -6.35167 2.70169 -3.10671 8.70296 -3.10669 -3.72006 GPRESSAVG: 3323800 -7.14416 -6.02994 7.88532 -4.37755 3.23102 -3.08565 10.4407 -4.70417 -3.11303 TIMING: 3323800 CPU: 10561.1, 0.00312962/step Wall: 10561.1, 0.00312962/step, 1.45719 hours remaining, 235.308594 MB of memory in use. ENERGY: 3323800 3942.3976 20510.6733 14502.3601 233.9369 -203350.4511 2552.9530 0.0000 0.0000 52117.0298 -109491.1005 299.5173 -161608.1303 -109124.3625 298.9872 -27.9585 -8.2103 762037.8708 -2.3083 -2.3421 PRESSURE: 3324000 -104.633 45.9137 59.6228 45.9143 66.578 7.57513 59.6228 7.57455 -11.4198 GPRESSURE: 3324000 -102.816 72.1399 -46.6034 -3.6295 106 26.5691 47.5892 -27.7924 38.8334 PRESSAVG: 3324000 34.3613 -61.7747 36.6636 -61.7747 -8.66837 3.70771 36.6635 3.70773 -2.42898 GPRESSAVG: 3324000 36.4233 -61.6563 38.6693 -61.0023 -10.1099 2.97508 36.5073 4.15219 -2.89458 TIMING: 3324000 CPU: 10561.7, 0.0031337/step Wall: 10561.7, 0.0031337/step, 1.45891 hours remaining, 235.308594 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: 3324000 3997.2010 20449.9071 14440.9282 236.9687 -203474.9114 2768.8036 0.0000 0.0000 52137.0460 -109444.0569 299.6323 -161581.1029 -109084.5894 298.9904 -16.4917 14.0060 761662.0493 7.7547 7.8063 PRESSURE: 3324200 -79.1974 -161.421 -125.379 -161.42 256.034 -181.007 -125.38 -181.006 -46.6571 GPRESSURE: 3324200 -6.49852 -84.6093 -84.2411 -142.629 283.24 -172.313 -181.751 -126.298 -34.4803 PRESSAVG: 3324200 -20.6514 -61.4718 -19.7363 -61.4717 30.0121 -10.8527 -19.7363 -10.8526 -11.9969 GPRESSAVG: 3324200 -20.8382 -60.9705 -21.0629 -62.9417 30.0914 -10.7206 -20.7735 -11.1863 -12.0362 TIMING: 3324200 CPU: 10562.3, 0.0031179/step Wall: 10562.3, 0.0031179/step, 1.45138 hours remaining, 235.308594 MB of memory in use. ENERGY: 3324200 3986.7993 20434.8974 14396.3358 252.2222 -203158.5017 2668.9121 0.0000 0.0000 52061.7663 -109357.5687 299.1997 -161419.3350 -109003.4252 299.0527 43.3930 80.7539 763110.6886 -0.8787 -0.9277 LDB: ============= START OF LOAD BALANCING ============== 10574.8 LDB: ============== END OF LOAD BALANCING =============== 10574.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10574.8 LDB: ============= START OF LOAD BALANCING ============== 10575.1 LDB: Largest compute 7078 load 0.031772 is 16.2% of average load 0.195620 LDB: Average compute 0.004377 is 2.2% of average load 0.195620 LDB: TIME 10575.1 LOAD: AVG 0.19562 MAX 0.216815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 10575.1 LOAD: AVG 0.19562 MAX 0.216815 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 10575.1 LOAD: AVG 0.19562 MAX 0.216815 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 10575.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10575.1 PRESSURE: 3324400 -393.784 -43.3208 219.992 -43.3207 204.984 -1.75482 219.992 -1.75485 -142.799 GPRESSURE: 3324400 -363.294 -26.4904 176.083 -31.8057 245.719 -79.0578 141.598 83.6283 -113.527 PRESSAVG: 3324400 -52.9179 -38.7461 -35.0579 -38.7461 39.5588 -19.653 -35.0578 -19.653 11.464 GPRESSAVG: 3324400 -53.4838 -37.179 -34.4604 -38.4614 40.2378 -20.6397 -33.25 -20.5034 11.427 TIMING: 3324400 CPU: 10563, 0.00319961/step Wall: 10563, 0.00319961/step, 1.48924 hours remaining, 233.816406 MB of memory in use. ENERGY: 3324400 3908.2184 20512.5171 14483.3465 237.6551 -203139.0638 2412.3780 0.0000 0.0000 52068.1114 -109516.8374 299.2362 -161584.9488 -109146.8517 299.3542 -110.5328 -77.0340 761424.2305 -0.6317 -0.6063 PRESSURE: 3324600 -159.124 -215.995 112.334 -215.996 63.9171 131.312 112.334 131.312 -85.4931 GPRESSURE: 3324600 -73.1907 -184.897 99.746 -181.92 13.4669 120.332 -11.7086 37.5081 -12.4909 PRESSAVG: 3324600 13.556 -40.7821 -21.3087 -40.782 -29.3498 30.7321 -21.3087 30.7322 9.78241 GPRESSAVG: 3324600 13.8681 -42.3947 -22.1991 -42.0004 -30.3883 30.9249 -23.9636 32.5779 10.6755 TIMING: 3324600 CPU: 10563.6, 0.00313332/step Wall: 10563.6, 0.00313332/step, 1.45821 hours remaining, 234.019531 MB of memory in use. ENERGY: 3324600 3982.8467 20570.8868 14474.7786 246.5915 -203318.4409 2663.4573 0.0000 0.0000 52019.5422 -109360.3377 298.9570 -161379.8799 -109006.0545 299.3836 -60.2333 -24.0716 762054.8034 -2.0038 -1.9482 PRESSURE: 3324800 -256.371 -216.529 -40.8081 -216.529 -441.525 -126.81 -40.808 -126.808 139.698 GPRESSURE: 3324800 -247.702 -159.484 -40.9646 -82.3737 -309.137 -153.229 -45.8701 -119.043 93.5807 PRESSAVG: 3324800 9.90038 -21.8453 3.99963 -21.8453 -28.3237 -40.3607 3.99962 -40.3607 -4.63925 GPRESSAVG: 3324800 10.8127 -20.5196 4.25841 -20.9841 -27.8357 -41.3136 3.45261 -38.4322 -5.77596 TIMING: 3324800 CPU: 10564.2, 0.0031269/step Wall: 10564.2, 0.0031269/step, 1.45505 hours remaining, 234.019531 MB of memory in use. ENERGY: 3324800 4022.5683 20437.8100 14474.8600 246.9946 -203225.0020 2331.7185 0.0000 0.0000 52227.8510 -109483.1996 300.1542 -161711.0506 -109114.3600 299.9577 -186.0658 -154.4193 762331.4465 -7.6875 -7.5997 PRESSURE: 3325000 -282.838 -71.6711 -43.9743 -71.6709 106.149 71.0124 -43.9746 71.0115 -311.774 GPRESSURE: 3325000 -214.056 -184.326 22.2906 51.1985 87.4014 59.6662 -68.7232 139.008 -274.501 PRESSAVG: 3325000 12.9401 -31.7841 -17.3423 -31.7841 -3.87641 -28.1934 -17.3423 -28.1933 15.8993 GPRESSAVG: 3325000 11.5902 -32.4583 -17.8158 -30.963 -4.42032 -27.516 -16.6233 -31.1342 17.0804 TIMING: 3325000 CPU: 10564.9, 0.00315099/step Wall: 10564.9, 0.00315099/step, 1.46609 hours remaining, 234.019531 MB of memory in use. ENERGY: 3325000 3953.8594 20428.6602 14408.8436 259.8927 -203319.9455 2670.4902 0.0000 0.0000 52241.8715 -109356.3279 300.2348 -161598.1994 -108991.6614 299.7588 -162.8211 -133.7185 761454.0449 8.3210 8.0834 PRESSURE: 3325200 -179.837 54.2268 -124.47 54.2267 226.5 -72.8552 -124.469 -72.8552 39.6943 GPRESSURE: 3325200 -136.129 84.1661 -193.898 126.696 224.83 -33.084 -81.4416 -68.9287 78.3154 PRESSAVG: 3325200 9.11835 -48.4585 35.2446 -48.4585 29.9138 21.6833 35.2446 21.6834 5.77301 GPRESSAVG: 3325200 9.03557 -48.667 34.5234 -48.9533 30.1089 20.8671 37.6266 22.1437 5.56765 TIMING: 3325200 CPU: 10565.5, 0.00312439/step Wall: 10565.5, 0.00312439/step, 1.45354 hours remaining, 234.019531 MB of memory in use. ENERGY: 3325200 4039.9499 20594.5245 14470.1139 236.3495 -203330.4023 2620.1791 0.0000 0.0000 52276.1809 -109093.1044 300.4319 -161369.2853 -108735.2084 300.0772 28.7859 55.6720 760457.1928 14.9351 14.9040 PRESSURE: 3325400 8.46732 -10.7247 114.887 -10.7249 -213.453 106.531 114.887 106.532 15.1008 GPRESSURE: 3325400 59.4429 61.6947 107.994 141.611 -251.113 75.909 17.9701 -59.9417 91.6608 PRESSAVG: 3325400 -7.50999 38.1814 14.8523 38.1813 20.9194 42.1402 14.8524 42.1403 -25.1716 GPRESSAVG: 3325400 -7.6208 36.8591 15.5957 40.0079 21.7081 43.124 12.9761 42.4904 -25.7927 TIMING: 3325400 CPU: 10566.1, 0.00311586/step Wall: 10566.1, 0.00311586/step, 1.4494 hours remaining, 234.019531 MB of memory in use. ENERGY: 3325400 3949.2735 20612.3422 14489.6228 249.5771 -203379.7261 2580.9175 0.0000 0.0000 52402.1096 -109095.8834 301.1556 -161497.9930 -108730.2255 300.2691 -63.2950 -33.3366 759989.3382 -3.9208 -3.9018 PRESSURE: 3325600 294.598 72.7894 4.94569 72.7894 -117.86 -402.732 4.94574 -402.733 228.006 GPRESSURE: 3325600 296.565 74.1093 -14.499 37.3092 -42.9305 -417.66 60.8447 -242.143 235.72 PRESSAVG: 3325600 7.1251 29.0625 45.9629 29.0625 -30.8981 -35.8954 45.963 -35.8954 3.20891 GPRESSAVG: 3325600 7.97217 30.4179 47.5115 27.5216 -32.2235 -37.1444 44.7964 -36.8602 3.8846 TIMING: 3325600 CPU: 10566.7, 0.00313164/step Wall: 10566.7, 0.00313164/step, 1.45656 hours remaining, 234.019531 MB of memory in use. ENERGY: 3325600 3904.5801 20647.7333 14455.8333 256.0717 -203286.9004 2565.6372 0.0000 0.0000 52047.5512 -109409.4935 299.1180 -161457.0448 -109053.4952 299.7886 134.9148 163.1182 761475.8298 -6.8547 -6.7889 PRESSURE: 3325800 -94.9402 -75.1546 94.2908 -75.1539 -300.214 -138.947 94.291 -138.946 -12.7347 GPRESSURE: 3325800 -193.48 -129.379 17.9282 -37.9016 -137.221 -79.5968 85.491 -101.771 7.38349 PRESSAVG: 3325800 -14.3121 -7.14433 -9.99252 -7.14428 -36.1978 -53.0877 -9.99248 -53.0878 -9.70562 GPRESSAVG: 3325800 -15.0343 -8.55225 -10.6121 -5.63012 -33.7714 -52.2909 -8.6328 -53.1146 -10.755 TIMING: 3325800 CPU: 10567.4, 0.00313144/step Wall: 10567.4, 0.00313144/step, 1.45629 hours remaining, 234.019531 MB of memory in use. ENERGY: 3325800 4024.6662 20638.0557 14464.7396 250.6211 -203402.7443 2692.4848 0.0000 0.0000 51945.7329 -109386.4441 298.5328 -161332.1770 -109027.3455 299.6998 -135.9629 -107.7725 761733.1432 -20.0718 -19.8536 PRESSURE: 3326000 -29.0265 -149.611 10.9412 -149.611 -43.8414 58.124 10.9413 58.1231 316.666 GPRESSURE: 3326000 66.8751 -127.475 81.5177 -65.9465 6.15208 -6.5367 -122.113 76.1853 259.182 PRESSAVG: 3326000 -4.42087 -29.4896 -27.0528 -29.4896 21.5528 -40.391 -27.0527 -40.391 -0.785531 GPRESSAVG: 3326000 -3.47941 -29.5083 -27.1513 -29.8077 20.2771 -38.2345 -27.236 -41.8554 -0.499751 TIMING: 3326000 CPU: 10568, 0.00312176/step Wall: 10568, 0.00312176/step, 1.45162 hours remaining, 234.019531 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: 3326000 4001.0335 20388.5888 14463.8176 240.7546 -203307.1038 2664.7538 0.0000 0.0000 52002.1337 -109546.0219 298.8570 -161548.1557 -109189.9553 299.2662 81.2661 110.7362 760523.6637 5.4488 5.4327 PRESSURE: 3326200 237.37 -134.598 16.9666 -134.599 -106.111 -14.6335 16.9663 -14.6333 -20.5628 GPRESSURE: 3326200 288.782 -60.1115 -38.8605 -160.876 -97.9586 -32.7141 -11.8839 -82.4448 -5.34852 PRESSAVG: 3326200 -43.6357 -17.1141 25.6006 -17.114 22.2312 -74.3784 25.6006 -74.3784 3.44092 GPRESSAVG: 3326200 -44.2158 -14.9537 24.5919 -17.7215 22.8694 -76.1801 25.5809 -72.822 3.08692 TIMING: 3326200 CPU: 10568.6, 0.00312451/step Wall: 10568.6, 0.00312451/step, 1.45272 hours remaining, 234.019531 MB of memory in use. ENERGY: 3326200 3992.8160 20521.0192 14400.3676 246.0055 -203503.1079 2765.1754 0.0000 0.0000 52191.7336 -109385.9905 299.9466 -161577.7241 -109022.4375 299.1192 36.8989 61.8249 761276.3551 -5.9879 -6.0865 PRESSURE: 3326400 80.6407 -145.945 101.749 -145.945 -94.4976 -262.184 101.749 -262.185 116.706 GPRESSURE: 3326400 52.7976 -97.2798 86.3898 -81.8389 7.90079 -272.347 64.1459 -168.492 126.161 PRESSAVG: 3326400 20.4388 -34.6515 1.40492 -34.6516 9.33227 -0.456317 1.4049 -0.456277 -17.3346 GPRESSAVG: 3326400 19.5308 -35.1569 1.29904 -35.6558 8.69608 -1.19122 1.14264 -0.12974 -16.1505 TIMING: 3326400 CPU: 10569.2, 0.00313069/step Wall: 10569.2, 0.00313069/step, 1.45542 hours remaining, 234.019531 MB of memory in use. ENERGY: 3326400 4010.9914 20672.4861 14499.5880 251.2361 -203431.5847 2591.7488 0.0000 0.0000 51801.2996 -109604.2346 297.7028 -161405.5343 -109250.1178 298.9173 34.2831 62.2863 760835.8575 4.1455 4.0255 PRESSURE: 3326600 -330.505 -76.1273 25.2154 -76.1271 195.345 -78.812 25.216 -78.8117 -262.634 GPRESSURE: 3326600 -286.829 -121.046 -23.2473 -36.3891 106.311 105.011 26.7558 -180.126 -134.208 PRESSAVG: 3326600 -13.793 -41.0431 -31.5511 -41.0431 7.38429 -30.849 -31.5512 -30.8489 18.9126 GPRESSAVG: 3326600 -12.9928 -42.7731 -30.1645 -40.1267 6.88828 -28.3448 -31.3851 -34.069 19.023 TIMING: 3326600 CPU: 10569.9, 0.003127/step Wall: 10569.9, 0.003127/step, 1.45353 hours remaining, 234.019531 MB of memory in use. ENERGY: 3326600 3937.7820 20516.3201 14427.9823 237.1323 -203202.6739 2467.0361 0.0000 0.0000 51724.0698 -109892.3513 297.2589 -161616.4211 -109529.3137 298.4137 -132.5981 -104.9088 761555.1415 4.1680 4.3061 PRESSURE: 3326800 -327.353 -72.4169 88.1427 -72.4164 -52.4717 95.4091 88.1417 95.4095 234.231 GPRESSURE: 3326800 -330.368 -64.3404 69.5574 -19.3495 56.6365 139.525 3.52259 67.0718 215.011 PRESSAVG: 3326800 -54.6706 -55.3053 -39.1248 -55.3053 63.3467 -11.2913 -39.1248 -11.2913 22.6479 GPRESSAVG: 3326800 -54.2526 -52.8346 -38.7013 -56.377 63.5387 -12.8918 -38.5881 -7.22574 21.9013 TIMING: 3326800 CPU: 10570.5, 0.0031391/step Wall: 10570.5, 0.0031391/step, 1.45899 hours remaining, 234.019531 MB of memory in use. ENERGY: 3326800 3968.7367 20557.8051 14411.5237 242.5200 -202825.0464 2258.1784 0.0000 0.0000 51894.9900 -109491.2926 298.2412 -161386.2825 -109141.2191 297.8331 -48.5312 -19.5736 762552.7880 10.4413 10.3958 PRESSURE: 3327000 -108.311 66.3824 -152.759 66.3818 472.198 119.595 -152.758 119.595 264.875 GPRESSURE: 3327000 -44.2205 79.9451 -113.396 154.399 500.834 164.358 -130.814 51.0611 256.71 PRESSAVG: 3327000 33.824 -16.3859 -25.7158 -16.3859 26.9989 44.2264 -25.7158 44.2265 -0.390845 GPRESSAVG: 3327000 33.1479 -17.791 -26.6252 -16.0572 27.857 45.8474 -25.6859 43.2522 -0.622396 TIMING: 3327000 CPU: 10571.1, 0.00311914/step Wall: 10571.1, 0.00311914/step, 1.44953 hours remaining, 234.019531 MB of memory in use. ENERGY: 3327000 3955.9854 20485.0611 14467.8307 218.6018 -203259.2293 2655.4056 0.0000 0.0000 51798.5873 -109677.7574 297.6872 -161476.3447 -109316.0314 299.0495 209.5873 237.7747 762799.8597 20.1440 20.1275 PRESSURE: 3327200 -137.855 -127.931 193.172 -127.93 -133.442 109.725 193.171 109.725 194.741 GPRESSURE: 3327200 -181.16 -136.545 135.903 -64.2056 -10.4457 125.462 203.326 97.1551 214.301 PRESSAVG: 3327200 24.3739 -27.4936 -10.9058 -27.4937 -24.0573 11.8681 -10.9059 11.8681 9.32438 GPRESSAVG: 3327200 24.6686 -27.6866 -10.7409 -27.6458 -23.8999 11.3306 -12.2048 10.8246 8.70402 TIMING: 3327200 CPU: 10571.7, 0.00312672/step Wall: 10571.7, 0.00312672/step, 1.45288 hours remaining, 234.019531 MB of memory in use. ENERGY: 3327200 3949.8286 20425.0214 14438.3557 238.8081 -203449.0753 2766.8709 0.0000 0.0000 51945.8459 -109684.3447 298.5335 -161630.1906 -109312.3477 297.9381 -25.5188 7.5650 761948.7678 3.2137 3.1576 PRESSURE: 3327400 -92.6799 -151.27 -45.6182 -151.27 204.936 -124.351 -45.6177 -124.351 -93.3015 GPRESSURE: 3327400 -47.7503 -114.903 -23.5631 -28.3921 192.342 -160.32 -69.8954 -232.44 -43.6112 PRESSAVG: 3327400 32.6129 16.495 -48.486 16.495 3.92954 -7.26402 -48.486 -7.26407 0.27103 GPRESSAVG: 3327400 34.2867 15.6415 -49.7325 17.371 1.23143 -9.13384 -47.7959 -7.49245 1.27592 TIMING: 3327400 CPU: 10572.4, 0.00313486/step Wall: 10572.4, 0.00313486/step, 1.45649 hours remaining, 234.019531 MB of memory in use. ENERGY: 3327400 4032.9439 20519.0919 14495.7646 243.8512 -203617.9082 2794.1215 0.0000 0.0000 51848.8787 -109683.2563 297.9762 -161532.1350 -109336.2409 298.2769 6.3180 33.6601 762830.0174 12.2712 12.2647 PRESSURE: 3327600 446.126 -37.3193 -130.354 -37.3181 72.5719 205.069 -130.353 205.069 238.18 GPRESSURE: 3327600 395.758 -36.2461 -100.293 -19.9874 254.982 209.754 -159.85 210.543 186.838 PRESSAVG: 3327600 -28.6633 -15.3465 -11.4774 -15.3465 16.5117 24.1052 -11.4773 24.1051 14.6946 GPRESSAVG: 3327600 -29.9114 -14.1759 -11.5818 -16.8321 17.821 25.1387 -12.0177 26.2442 14.6882 TIMING: 3327600 CPU: 10573, 0.00313586/step Wall: 10573, 0.00313586/step, 1.45678 hours remaining, 234.019531 MB of memory in use. ENERGY: 3327600 3895.5457 20473.4806 14502.9755 258.9381 -204045.8716 3128.3248 0.0000 0.0000 52034.3459 -109752.2610 299.0421 -161786.6069 -109392.7303 298.5320 252.2927 279.1927 762066.1483 0.8477 0.8659 PRESSURE: 3327800 -27.3523 69.777 108.909 69.7776 49.5178 -8.70828 108.91 -8.70772 71.5606 GPRESSURE: 3327800 17.741 46.2708 93.0989 29.0589 36.1003 28.1738 72.7175 -6.94901 128.581 PRESSAVG: 3327800 58.3025 47.9071 56.7776 47.9072 -49.8846 6.21745 56.7776 6.21755 -10.6524 GPRESSAVG: 3327800 58.2517 45.3798 57.276 48.5885 -49.7641 6.48633 56.5912 5.09048 -10.5885 TIMING: 3327800 CPU: 10573.6, 0.00312764/step Wall: 10573.6, 0.00312763/step, 1.45279 hours remaining, 234.019531 MB of memory in use. ENERGY: 3327800 3911.2657 20473.8339 14489.6597 260.8102 -203522.5007 2553.7675 0.0000 0.0000 51898.3452 -109934.8186 298.2605 -161833.1638 -109569.6414 298.2493 31.2420 60.8076 761869.7342 -0.7449 -0.7003 PRESSURE: 3328000 11.9238 28.0694 144.252 28.0691 27.7874 -4.21912 144.252 -4.21941 20.5851 GPRESSURE: 3328000 -5.81197 126.363 34.55 2.64306 116.83 -26.9995 103.229 -41.0369 31.9685 PRESSAVG: 3328000 -2.92309 27.0179 18.7256 27.0179 20.7526 52.0277 18.7256 52.0276 7.72005 GPRESSAVG: 3328000 -1.5067 30.2114 17.018 27.1825 21.3723 52.9212 21.6938 50.9448 6.117 TIMING: 3328000 CPU: 10574.2, 0.00313083/step Wall: 10574.2, 0.00313083/step, 1.4541 hours remaining, 234.019531 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: 3328000 3889.3302 20450.5286 14469.4249 227.0755 -203742.0091 2905.8394 0.0000 0.0000 51762.5002 -110037.3104 297.4798 -161799.8106 -109669.9323 297.5243 20.0988 47.6622 762247.0450 8.5165 8.6609 PRESSURE: 3328200 379.649 -83.5003 69.2362 -83.4999 251.917 34.9725 69.2363 34.9734 -8.98568 GPRESSURE: 3328200 375.518 -73.9893 164.769 -23.5938 311.879 -72.2645 21.3047 56.4219 4.38454 PRESSAVG: 3328200 39.3966 -14.9038 -23.9695 -14.9038 -39.7964 -0.988207 -23.9695 -0.988136 17.466 GPRESSAVG: 3328200 37.9109 -16.305 -22.6392 -13.3307 -40.5117 -1.50076 -27.1776 -0.376479 18.7727 TIMING: 3328200 CPU: 10574.9, 0.00312562/step Wall: 10574.9, 0.00312562/step, 1.45151 hours remaining, 234.019531 MB of memory in use. ENERGY: 3328200 3897.1308 20527.1227 14393.4260 260.6775 -203769.2253 2795.5029 0.0000 0.0000 51940.0115 -109955.3539 298.5000 -161895.3654 -109587.2461 297.9760 207.5267 230.5939 762632.6866 5.6887 5.3906 LDB: ============= START OF LOAD BALANCING ============== 10587.3 LDB: ============== END OF LOAD BALANCING =============== 10587.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10587.3 LDB: ============= START OF LOAD BALANCING ============== 10587.6 LDB: Largest compute 7078 load 0.031579 is 16.1% of average load 0.195538 LDB: Average compute 0.004391 is 2.2% of average load 0.195538 LDB: TIME 10587.6 LOAD: AVG 0.195538 MAX 0.214314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 10587.6 LOAD: AVG 0.195538 MAX 0.214314 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 10587.6 LOAD: AVG 0.195538 MAX 0.214314 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 10587.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10587.6 PRESSURE: 3328400 76.7347 107.115 2.70748 107.115 234.324 -213.199 2.70719 -213.199 -25.5773 GPRESSURE: 3328400 144.54 43.7863 -152.016 62.0094 173.693 -106.783 21.9132 -113.728 49.3092 PRESSAVG: 3328400 54.7373 -15.9954 -12.2223 -15.9953 -22.1197 -12.1562 -12.2224 -12.1562 -19.427 GPRESSAVG: 3328400 55.0361 -16.1419 -14.2414 -17.31 -22.8039 -12.7686 -7.95115 -11.3122 -19.3568 TIMING: 3328400 CPU: 10575.5, 0.00318015/step Wall: 10575.5, 0.00318015/step, 1.47665 hours remaining, 232.855469 MB of memory in use. ENERGY: 3328400 4013.9882 20520.1856 14512.5990 244.1944 -203903.4989 2907.1422 0.0000 0.0000 51668.5065 -110036.8830 296.9396 -161705.3895 -109682.5764 298.1490 95.1603 122.5140 760682.9800 4.3969 4.2918 PRESSURE: 3328600 187.594 -12.0046 -9.28814 -12.0046 -83.1721 146.442 -9.28761 146.442 85.5117 GPRESSURE: 3328600 243.717 -49.5191 -1.95107 6.51185 -70.1975 79.2386 -11.9637 152.866 123.646 PRESSAVG: 3328600 19.5775 -13.2147 -0.36281 -13.2147 -40.5792 -34.3009 -0.362727 -34.3009 -15.5599 GPRESSAVG: 3328600 20.2149 -13.6914 1.5456 -14.5417 -40.5024 -34.3465 -2.95756 -35.0114 -16.3311 TIMING: 3328600 CPU: 10576.1, 0.00313708/step Wall: 10576.1, 0.00313708/step, 1.45648 hours remaining, 232.855469 MB of memory in use. ENERGY: 3328600 3881.2001 20370.4782 14437.1544 223.1222 -203703.4577 2573.7213 0.0000 0.0000 52032.9240 -110184.8575 299.0339 -162217.7815 -109811.2840 297.1904 63.3113 99.0553 761262.1883 -12.1872 -12.2062 PRESSURE: 3328800 120.19 29.036 -241.878 29.0354 -137.063 -300.269 -241.878 -300.269 -77.5842 GPRESSURE: 3328800 59.2983 61.5527 -172.961 40.6531 14.2761 -318.808 -199.483 -265.106 -77.4041 PRESSAVG: 3328800 46.3997 -5.97227 -50.2254 -5.97225 -70.442 21.0528 -50.2254 21.0528 -24.8309 GPRESSAVG: 3328800 45.8089 -4.15602 -50.7686 -4.84802 -69.9434 19.6178 -49.7995 19.2561 -24.8591 TIMING: 3328800 CPU: 10576.8, 0.00315014/step Wall: 10576.8, 0.00315014/step, 1.46236 hours remaining, 232.855469 MB of memory in use. ENERGY: 3328800 3963.3746 20531.6843 14511.9186 236.5873 -203485.2940 2520.0879 0.0000 0.0000 51764.7006 -109956.9408 297.4924 -161721.6413 -109597.0796 297.9905 -31.4855 -1.2766 762193.3716 -16.2911 -16.3312 PRESSURE: 3329000 -126.611 191.411 151.672 191.411 -444.604 -51.0897 151.672 -51.0894 -19.6441 GPRESSURE: 3329000 -103.446 212.743 145.177 124.843 -394.091 62.7456 40.5909 -210.652 -30.3668 PRESSAVG: 3329000 5.40462 -14.6413 23.9332 -14.6412 48.7351 -53.863 23.9332 -53.863 10.2202 GPRESSAVG: 3329000 6.47334 -14.4119 23.6426 -15.8045 48.4759 -52.4235 22.7344 -52.7584 9.85079 TIMING: 3329000 CPU: 10577.4, 0.00313825/step Wall: 10577.4, 0.00313825/step, 1.45667 hours remaining, 232.855469 MB of memory in use. ENERGY: 3329000 4043.2553 20517.9734 14453.6396 244.8502 -203538.2361 2295.8357 0.0000 0.0000 51932.3556 -110050.3261 298.4560 -161982.6818 -109685.7257 298.4767 -196.9529 -175.9681 761289.9132 21.4533 21.6000 PRESSURE: 3329200 -9.06472 149.612 253.201 149.612 -344.777 -109.765 253.201 -109.764 -247.963 GPRESSURE: 3329200 -21.2931 148.348 212.637 212.124 -202.445 -53.628 190.137 -71.9991 -305.912 PRESSAVG: 3329200 -21.9752 6.82235 -2.9626 6.82237 -23.7868 -58.2188 -2.96258 -58.2188 6.00609 GPRESSAVG: 3329200 -22.3449 4.66005 -3.14302 5.89497 -24.0177 -57.3226 -0.907601 -56.9157 6.35282 TIMING: 3329200 CPU: 10578, 0.00312848/step Wall: 10578, 0.00312848/step, 1.45196 hours remaining, 232.855469 MB of memory in use. ENERGY: 3329200 3981.2105 20600.1636 14412.2084 231.9457 -203715.4770 2595.7190 0.0000 0.0000 51906.1307 -109988.0990 298.3052 -161894.2297 -109625.7743 298.1280 -200.6014 -176.5498 761667.5701 -13.2520 -13.3366 PRESSURE: 3329400 -143.647 -239.511 -105.245 -239.511 -9.54439 115.419 -105.244 115.419 -32.5841 GPRESSURE: 3329400 -166.5 -202.948 -140.44 -186.584 13.1208 131.217 -18.5947 49.217 40.4311 PRESSAVG: 3329400 20.359 0.726123 -53.1516 0.726116 -70.1765 0.758089 -53.1516 0.758055 3.22468 GPRESSAVG: 3329400 19.8301 2.19543 -52.9043 2.25869 -70.7642 -0.00154591 -54.6768 0.341679 4.30509 TIMING: 3329400 CPU: 10578.6, 0.00312469/step Wall: 10578.6, 0.00312469/step, 1.45003 hours remaining, 232.855469 MB of memory in use. ENERGY: 3329400 3896.8625 20355.5606 14422.3530 271.5646 -203351.7364 2387.9787 0.0000 0.0000 51896.9400 -110120.4771 298.2524 -162017.4171 -109765.7142 298.3194 -61.9251 -37.6494 760520.7743 -15.5309 -15.5430 PRESSURE: 3329600 -377.909 170.063 -116.075 170.063 2.80448 144.603 -116.076 144.604 -526.94 GPRESSURE: 3329600 -264.317 32.7209 -85.9285 116.95 -10.922 161.014 -142.935 61.4171 -535.42 PRESSAVG: 3329600 -53.5993 -78.3774 -2.13702 -78.3774 67.2167 8.79811 -2.13706 8.79804 27.8023 GPRESSAVG: 3329600 -54.337 -80.316 -2.79421 -77.7293 68.6569 7.41003 -1.72855 9.26798 26.7092 TIMING: 3329600 CPU: 10579.3, 0.0031292/step Wall: 10579.3, 0.0031292/step, 1.45195 hours remaining, 232.855469 MB of memory in use. ENERGY: 3329600 4035.5391 20568.9489 14479.2809 260.6553 -203737.8153 2568.4036 0.0000 0.0000 51866.9680 -109958.0195 298.0802 -161824.9875 -109597.6261 298.1918 -300.6816 -270.2196 758925.1587 13.8066 13.6764 PRESSURE: 3329800 41.8657 -13.053 161.149 -13.0529 73.136 -259.407 161.15 -259.409 -526.322 GPRESSURE: 3329800 68.2081 35.207 120.56 -105.978 77.2215 -248.805 112.588 -98.2965 -473.492 PRESSAVG: 3329800 -3.14957 5.6514 0.901619 5.65142 -12.4809 5.28865 0.901677 5.28862 -12.0359 GPRESSAVG: 3329800 -2.03666 7.1509 2.59013 3.78867 -13.0851 6.15294 -1.04777 5.76597 -12.3095 TIMING: 3329800 CPU: 10579.9, 0.00313285/step Wall: 10579.9, 0.00313285/step, 1.45347 hours remaining, 232.855469 MB of memory in use. ENERGY: 3329800 3996.2742 20529.1968 14422.6333 253.6554 -203326.8067 2508.1481 0.0000 0.0000 51819.9211 -109796.9778 297.8098 -161616.8989 -109443.0677 298.1855 -137.1067 -109.3541 761540.7416 -9.2221 -9.1438 PRESSURE: 3330000 -371.468 -95.7503 -26.3813 -95.7501 152.237 68.0601 -26.3823 68.0592 -188.239 GPRESSURE: 3330000 -298.413 -10.9476 71.8286 -10.7594 108.938 -4.00365 -27.701 64.0975 -156.618 PRESSAVG: 3330000 26.8974 -19.8498 25.0358 -19.8498 22.8516 3.52629 25.0358 3.5263 1.3781 GPRESSAVG: 3330000 26.3979 -19.6181 23.7479 -19.2276 23.5019 2.08147 25.9037 1.06476 0.874468 TIMING: 3330000 CPU: 10580.5, 0.00313115/step Wall: 10580.5, 0.00313115/step, 1.45251 hours remaining, 232.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3330000 4020.1850 20563.8306 14390.5506 246.7463 -203333.9955 2515.1231 0.0000 0.0000 51982.2338 -109615.3260 298.7426 -161597.5598 -109262.6070 298.6835 -135.8232 -115.3641 761660.0916 17.0424 16.9248 PRESSURE: 3330200 172.104 -318.366 -129.803 -318.366 172.881 -86.6142 -129.803 -86.6143 155.466 GPRESSURE: 3330200 174.17 -195.269 -181.808 -226.32 195.28 -48.4648 14.9635 51.2092 217.722 PRESSAVG: 3330200 -11.4951 -35.8118 -14.4153 -35.8118 37.2652 19.6655 -14.4153 19.6656 -1.63671 GPRESSAVG: 3330200 -10.9144 -34.4447 -15.0969 -36.1557 36.5602 21.9774 -12.9033 20.4016 -1.47101 TIMING: 3330200 CPU: 10581.1, 0.0031198/step Wall: 10581.1, 0.0031198/step, 1.44707 hours remaining, 232.855469 MB of memory in use. ENERGY: 3330200 4101.3680 20513.3609 14406.9742 244.1640 -203405.0877 2776.6485 0.0000 0.0000 51836.1308 -109526.4413 297.9030 -161362.5721 -109174.7175 299.0433 166.8167 195.7239 760648.2597 8.0445 8.0583 PRESSURE: 3330400 -7.74775 157.72 -80.3456 157.72 -85.9455 33.8874 -80.3458 33.8873 335.423 GPRESSURE: 3330400 51.579 95.9149 -79.6275 202.999 -104.193 131.639 -63.5124 10.9079 384.933 PRESSAVG: 3330400 -49.3488 0.274832 25.9397 0.274829 28.1353 7.54602 25.9397 7.54595 9.87759 GPRESSAVG: 3330400 -49.3375 -0.374858 26.0692 0.0556755 27.6254 6.76834 27.3657 5.99481 10.4575 TIMING: 3330400 CPU: 10581.8, 0.00312685/step Wall: 10581.8, 0.00312685/step, 1.45016 hours remaining, 232.855469 MB of memory in use. ENERGY: 3330400 3983.0362 20454.4346 14377.9330 256.3192 -203166.4882 2590.0459 0.0000 0.0000 51866.9916 -109637.7276 298.0803 -161504.7193 -109270.7933 298.5242 80.5766 110.7731 762636.3562 -3.7787 -3.7515 PRESSURE: 3330600 -28.184 43.349 219.292 43.3489 -217.972 -83.9572 219.292 -83.958 161.765 GPRESSURE: 3330600 56.4981 53.0222 194.722 -121.481 -196.794 -154.532 157.028 -143.707 130.823 PRESSAVG: 3330600 92.3553 -5.54189 19.9757 -5.54191 -21.4417 -13.1578 19.9757 -13.1578 5.72436 GPRESSAVG: 3330600 91.2056 -4.67726 20.4347 -6.66796 -20.0775 -12.0051 18.4266 -13.1534 5.53873 TIMING: 3330600 CPU: 10582.4, 0.00313033/step Wall: 10582.4, 0.00313033/step, 1.4516 hours remaining, 232.855469 MB of memory in use. ENERGY: 3330600 4034.8914 20390.8516 14393.2130 235.3856 -202986.6249 2268.1281 0.0000 0.0000 52139.2908 -109524.8645 299.6452 -161664.1553 -109158.2086 298.3236 -28.1303 -3.1575 763231.7150 25.5460 25.5556 PRESSURE: 3330800 93.7642 -105.279 -7.26114 -105.279 132.484 42.6175 -7.2616 42.6168 -228.698 GPRESSURE: 3330800 92.1468 -86.3199 33.3646 67.9576 111.661 54.4445 53.884 131.038 -125.901 PRESSAVG: 3330800 -9.4158 26.5289 7.59073 26.5289 -5.20786 16.205 7.59068 16.205 3.22597 GPRESSAVG: 3330800 -9.53349 23.6505 8.35483 29.9469 -6.29056 15.475 6.42967 18.7896 4.52252 TIMING: 3330800 CPU: 10583, 0.00314715/step Wall: 10583, 0.00314715/step, 1.45923 hours remaining, 232.855469 MB of memory in use. ENERGY: 3330800 3999.9286 20502.5778 14488.5157 227.1509 -202917.7844 2257.5854 0.0000 0.0000 51885.6352 -109556.3908 298.1875 -161442.0260 -109186.2699 299.1072 -0.8165 25.9690 762869.4404 -3.7992 -3.7672 PRESSURE: 3331000 118.235 110.645 8.95433 110.644 -59.6452 293.773 8.9546 293.773 327.916 GPRESSURE: 3331000 220.39 36.3108 35.2565 44.5619 -33.0902 345.728 -114.777 175.368 269.415 PRESSAVG: 3331000 42.1156 -15.0033 20.9022 -15.0033 -0.728729 2.42377 20.9021 2.42377 7.67442 GPRESSAVG: 3331000 42.0977 -12.253 19.5346 -17.2284 0.502963 2.63268 22.258 2.90636 6.77485 TIMING: 3331000 CPU: 10583.6, 0.00311957/step Wall: 10583.6, 0.00311957/step, 1.44627 hours remaining, 232.855469 MB of memory in use. ENERGY: 3331000 3982.6715 20540.8918 14458.4082 272.5817 -203231.2040 2362.3717 0.0000 0.0000 51872.7626 -109741.5164 298.1135 -161614.2791 -109374.8187 298.7304 128.8354 152.2382 761830.1755 16.3538 16.4585 PRESSURE: 3331200 -2.18495 -20.0876 -280.529 -20.0883 111.887 -187.676 -280.529 -187.677 46.4074 GPRESSURE: 3331200 28.3695 -0.495979 -268.715 -110.475 93.1218 -149.359 -271.51 -187.936 116.626 PRESSAVG: 3331200 5.54549 -57.4074 -17.4807 -57.4074 13.468 18.5435 -17.4807 18.5435 10.6716 GPRESSAVG: 3331200 5.70453 -57.594 -16.9939 -56.555 13.3675 18.6042 -19.2642 18.2574 10.79 TIMING: 3331200 CPU: 10584.3, 0.00317644/step Wall: 10584.3, 0.00317644/step, 1.47245 hours remaining, 232.855469 MB of memory in use. ENERGY: 3331200 4078.2663 20506.9590 14477.0640 253.4790 -203270.5920 2372.0515 0.0000 0.0000 51821.3128 -109761.4594 297.8178 -161582.7721 -109404.4370 298.8500 52.0366 79.3724 761757.3170 9.8950 9.9540 PRESSURE: 3331400 74.4798 87.6575 133.325 87.6577 160.291 137.074 133.324 137.072 171.398 GPRESSURE: 3331400 95.3871 -14.2087 124.209 194.147 234.918 176.136 10.2791 43.1074 160.687 PRESSAVG: 3331400 32.4928 -2.09053 15.3649 -2.09051 -20.1408 17.4097 15.3649 17.4097 -2.63068 GPRESSAVG: 3331400 32.544 -2.56782 14.9615 -1.41511 -20.3179 16.365 16.6129 16.5867 -3.10135 TIMING: 3331400 CPU: 10584.9, 0.0031419/step Wall: 10584.9, 0.0031419/step, 1.45627 hours remaining, 232.855469 MB of memory in use. ENERGY: 3331400 3955.9209 20550.4512 14464.8933 240.0278 -203520.8539 2510.6237 0.0000 0.0000 51966.6533 -109832.2837 298.6531 -161798.9370 -109474.6508 298.8877 135.3896 163.6641 759258.7182 3.2404 3.0416 PRESSURE: 3331600 189.912 -103.754 108.39 -103.755 -118.575 106.496 108.39 106.495 147.257 GPRESSURE: 3331600 252.796 -58.9959 159.542 -120.816 -74.9391 181.332 85.925 -41.8335 129.811 PRESSAVG: 3331600 19.742 -33.4625 81.1656 -33.4625 29.7484 4.76898 81.1657 4.76889 8.02398 GPRESSAVG: 3331600 19.5694 -34.8809 81.6138 -33.2118 29.0628 5.64947 82.8461 4.82582 8.48289 TIMING: 3331600 CPU: 10585.5, 0.0031386/step Wall: 10585.5, 0.0031386/step, 1.45457 hours remaining, 232.855469 MB of memory in use. ENERGY: 3331600 4058.1668 20675.0290 14440.7615 252.9859 -203875.8936 2845.5867 0.0000 0.0000 52066.1805 -109537.1831 299.2251 -161603.3636 -109176.6944 298.8994 72.8648 102.5560 761304.8707 19.1715 19.0384 PRESSURE: 3331800 124.772 -33.5103 -26.2869 -33.5104 140.476 -160.422 -26.2869 -160.423 -75.8599 GPRESSURE: 3331800 194.654 -115.697 5.85179 -83.2196 143.503 -132.882 123.204 -130.442 -59.3568 PRESSAVG: 3331800 60.5821 -46.6343 -2.03725 -46.6343 -49.1979 6.06652 -2.03725 6.06655 -3.53746 GPRESSAVG: 3331800 60.8374 -46.7161 -2.97486 -46.731 -49.1779 5.87503 -3.60582 6.97262 -4.09526 TIMING: 3331800 CPU: 10586.2, 0.00314569/step Wall: 10586.2, 0.00314569/step, 1.45768 hours remaining, 232.855469 MB of memory in use. ENERGY: 3331800 3922.9028 20609.5238 14465.1805 249.8787 -203654.3131 2903.6846 0.0000 0.0000 52023.6935 -109479.4493 298.9809 -161503.1428 -109126.0194 298.9907 63.1295 92.9336 761947.5043 2.6156 2.5214 PRESSURE: 3332000 -42.0323 45.0494 9.54138 45.049 69.2891 2.27829 9.54127 2.27733 400.895 GPRESSURE: 3332000 -45.2294 190.98 -36.948 47.2607 69.7757 108.714 24.188 95.9236 497.735 PRESSAVG: 3332000 -6.21466 -44.7944 20.974 -44.7944 -40.0234 43.3945 20.974 43.3943 -4.37743 GPRESSAVG: 3332000 -6.00924 -42.2872 21.7005 -45.9553 -40.0436 43.7452 22.5221 43.3109 -4.32013 TIMING: 3332000 CPU: 10586.8, 0.00318597/step Wall: 10586.8, 0.00318597/step, 1.47617 hours remaining, 232.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3332000 4009.9627 20562.9217 14480.2292 228.7575 -203643.4642 2804.2972 0.0000 0.0000 52124.5465 -109432.7494 299.5605 -161557.2960 -109069.8377 299.6991 142.7173 174.0938 762271.5203 -16.8718 -16.7910 PRESSURE: 3332200 138.352 -138.678 -7.92073 -138.679 -118.718 -150.268 -7.9208 -150.268 -114.378 GPRESSURE: 3332200 125.101 -141.114 16.6729 -146.955 -5.65695 -189.519 26.7293 -166.921 -125.87 PRESSAVG: 3332200 29.3133 -59.917 14.3844 -59.917 -38.9502 -26.936 14.3843 -26.936 -15.5561 GPRESSAVG: 3332200 28.7935 -61.6511 14.7961 -58.6013 -38.3809 -26.234 12.5671 -27.1515 -15.604 TIMING: 3332200 CPU: 10587.4, 0.00314393/step Wall: 10587.4, 0.00314393/step, 1.45651 hours remaining, 232.855469 MB of memory in use. ENERGY: 3332200 4032.2107 20545.4934 14438.5366 243.2540 -203229.4105 2662.8995 0.0000 0.0000 51952.2006 -109354.8156 298.5700 -161307.0163 -108996.7926 299.0968 -31.5813 -2.1422 761435.9896 -8.3976 -8.3971 LDB: ============= START OF LOAD BALANCING ============== 10599.8 LDB: ============== END OF LOAD BALANCING =============== 10599.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10599.9 LDB: ============= START OF LOAD BALANCING ============== 10600.2 LDB: Largest compute 7078 load 0.030286 is 15.5% of average load 0.195606 LDB: Average compute 0.004388 is 2.2% of average load 0.195606 LDB: TIME 10600.2 LOAD: AVG 0.195606 MAX 0.216101 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 10600.2 LOAD: AVG 0.195606 MAX 0.216101 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 10600.2 LOAD: AVG 0.195606 MAX 0.216101 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 10600.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10600.2 PRESSURE: 3332400 -352.953 -48.8199 53.5703 -48.82 151.996 18.9392 53.57 18.9386 -130.851 GPRESSURE: 3332400 -183.358 -13.159 48.114 -54.7448 116.277 -35.9742 186.986 14.6281 -188.482 PRESSAVG: 3332400 46.1226 1.74505 62.6298 1.74507 -51.334 -37.1437 62.6298 -37.1437 -18.2502 GPRESSAVG: 3332400 48.335 3.12843 61.3796 0.264457 -52.8595 -38.3141 63.7484 -37.5568 -19.4075 TIMING: 3332400 CPU: 10588.1, 0.00319603/step Wall: 10588.1, 0.00319603/step, 1.48047 hours remaining, 233.562500 MB of memory in use. ENERGY: 3332400 3975.7894 20547.5894 14453.3225 260.0637 -203179.4706 2495.0383 0.0000 0.0000 52183.6399 -109264.0273 299.9001 -161447.6672 -108899.4838 299.5519 -110.6026 -85.1878 761284.0891 -7.8205 -7.9773 PRESSURE: 3332600 -154.773 -42.6748 -183.369 -42.6745 121.689 134.625 -183.368 134.626 107.858 GPRESSURE: 3332600 -32.029 -100.796 -164.741 -126.921 124.304 140.573 -40.1335 160.415 74.8961 PRESSAVG: 3332600 17.9354 -42.2344 68.5919 -42.2344 -1.38501 -8.11879 68.592 -8.11871 -13.8786 GPRESSAVG: 3332600 14.9685 -41.9749 70.3863 -41.5649 0.68526 -7.52863 69.344 -8.81288 -12.77 TIMING: 3332600 CPU: 10588.7, 0.00312044/step Wall: 10588.7, 0.00312044/step, 1.44528 hours remaining, 233.835938 MB of memory in use. ENERGY: 3332600 4040.1637 20579.1116 14493.6577 251.1558 -203590.1492 2819.0709 0.0000 0.0000 52264.0263 -109142.9633 300.3621 -161406.9895 -108778.3571 300.1571 24.9247 55.7239 761156.7376 0.8906 0.9613 PRESSURE: 3332800 -71.1284 80.9492 40.3213 80.9499 -150.991 -9.68107 40.3216 -9.67995 171.927 GPRESSURE: 3332800 -5.87475 24.4606 -50.0902 20.0284 -104.18 -36.7219 10.3083 -149.86 139.904 PRESSAVG: 3332800 7.91241 -38.8349 4.64833 -38.8349 23.4401 6.32516 4.64833 6.32512 -7.56331 GPRESSAVG: 3332800 9.87283 -41.2155 3.37886 -37.7819 21.9971 6.72084 6.0248 6.7071 -7.93087 TIMING: 3332800 CPU: 10589.3, 0.00312138/step Wall: 10589.3, 0.00312138/step, 1.44554 hours remaining, 233.835938 MB of memory in use. ENERGY: 3332800 4097.7092 20537.4408 14375.6813 238.8126 -203039.1103 2391.7778 0.0000 0.0000 52296.7232 -109100.9652 300.5500 -161397.6884 -108737.4502 299.9079 -16.7306 9.9496 762076.5623 7.9297 7.9797 PRESSURE: 3333000 -224.769 -262.972 -100.858 -262.973 116.626 30.7887 -100.857 30.7882 -42.2374 GPRESSURE: 3333000 -160.767 -180.304 -61.1833 -147.196 159.797 62.4192 -131.065 103.842 -74.6723 PRESSAVG: 3333000 40.3155 -54.9925 10.2177 -54.9926 -3.46361 42.7841 10.2177 42.7841 22.0179 GPRESSAVG: 3333000 40.2567 -53.145 10.3767 -55.6002 -3.59115 42.8416 9.39919 43.315 22.2143 TIMING: 3333000 CPU: 10589.9, 0.00312852/step Wall: 10589.9, 0.00312852/step, 1.44868 hours remaining, 233.835938 MB of memory in use. ENERGY: 3333000 3945.5448 20713.9092 14478.0288 252.5856 -203091.6480 2368.7898 0.0000 0.0000 52264.2998 -109068.4900 300.3636 -161332.7898 -108699.1009 300.5137 -50.1268 -25.2142 760517.4693 19.6233 19.6266 PRESSURE: 3333200 222.929 -75.521 20.2947 -75.5202 -350.396 212.565 20.2945 212.564 -40.2905 GPRESSURE: 3333200 189.512 -13.7753 -18.3468 -97.4723 -322.579 146.155 35.2295 126.329 51.8424 PRESSAVG: 3333200 58.2335 -12.6259 -16.3328 -12.626 -43.2599 12.3123 -16.3327 12.3122 16.7584 GPRESSAVG: 3333200 56.12 -11.0696 -16.4603 -15.7568 -41.0383 11.4562 -17.8644 12.4208 16.9933 TIMING: 3333200 CPU: 10590.6, 0.00311654/step Wall: 10590.6, 0.00311654/step, 1.44296 hours remaining, 233.835938 MB of memory in use. ENERGY: 3333200 4060.3833 20778.5079 14518.5076 225.8585 -203258.7205 2656.1977 0.0000 0.0000 52009.9870 -109009.2786 298.9021 -161019.2655 -108659.1402 300.4135 -55.9192 -27.0748 762128.8790 10.5773 10.6917 PRESSURE: 3333400 103.962 -17.4655 -134.889 -17.4656 241.846 -91.3828 -134.889 -91.3826 510.243 GPRESSURE: 3333400 207.769 4.54426 -104.439 -63.9288 258.931 -36.2134 -106.244 2.97359 467.472 PRESSAVG: 3333400 49.8717 -31.8407 1.86595 -31.8406 -33.1594 -0.529243 1.86593 -0.529265 -14.9471 GPRESSAVG: 3333400 50.6217 -31.4259 3.35251 -30.7291 -33.7342 -0.19881 1.43805 -0.210772 -15.6625 TIMING: 3333400 CPU: 10591.2, 0.00311049/step Wall: 10591.2, 0.00311049/step, 1.43999 hours remaining, 233.906250 MB of memory in use. ENERGY: 3333400 4023.6349 20472.4367 14550.4081 257.6292 -203123.3791 2571.8173 0.0000 0.0000 52187.0590 -109060.3938 299.9197 -161247.4529 -108697.5881 300.1831 285.3501 311.3909 762272.1241 0.5884 0.4083 PRESSURE: 3333600 -103.577 -48.3704 -133.439 -48.3698 -243.291 -105.928 -133.438 -105.929 -400.252 GPRESSURE: 3333600 -162.215 -103.933 -139.791 -89.3562 -129.694 -73.8182 15.6392 -127.628 -371.019 PRESSAVG: 3333600 63.7732 6.91449 1.52997 6.91444 -30.8728 16.9097 1.53012 16.9098 -10.144 GPRESSAVG: 3333600 63.4567 4.98085 2.19597 7.16138 -31.9534 14.6225 0.59392 17.564 -9.48026 TIMING: 3333600 CPU: 10591.8, 0.00311045/step Wall: 10591.8, 0.00311045/step, 1.43979 hours remaining, 233.960938 MB of memory in use. ENERGY: 3333600 4017.0822 20572.2131 14514.6482 242.0012 -203064.5824 2504.0606 0.0000 0.0000 52229.5841 -108984.9932 300.1641 -161214.5773 -108611.5289 300.2058 -249.0401 -220.9761 763716.7563 7.5855 7.3410 PRESSURE: 3333800 -317.168 94.9414 36.9986 94.9416 -216.416 299.955 36.9993 299.956 -187.779 GPRESSURE: 3333800 -303.657 -28.2404 -15.648 73.5556 -151.861 282.141 49.4373 198.611 -168.572 PRESSAVG: 3333800 34.2635 -13.6412 -25.0417 -13.6412 -31.2371 45.41 -25.0416 45.4099 24.4136 GPRESSAVG: 3333800 33.2151 -14.4717 -26.7578 -13.382 -30.2924 48.029 -23.4459 42.9327 24.7517 TIMING: 3333800 CPU: 10592.4, 0.00311658/step Wall: 10592.4, 0.00311658/step, 1.44246 hours remaining, 233.960938 MB of memory in use. ENERGY: 3333800 3986.3215 20661.4445 14473.6070 270.8798 -203285.7879 2752.0146 0.0000 0.0000 52106.4162 -109035.1043 299.4563 -161141.5205 -108684.8389 300.3434 -240.4541 -208.0299 764323.8369 9.1467 9.2248 PRESSURE: 3334000 -141.265 -14.3434 -100.25 -14.3421 -227.935 -224.779 -100.25 -224.78 -217.182 GPRESSURE: 3334000 -152.221 41.9215 -163.103 -43.4405 -201.52 -84.5681 -65.314 -200.493 -162.492 PRESSAVG: 3334000 -5.50401 -25.3562 -11.1619 -25.3561 -16.8711 58.1334 -11.162 58.1334 -8.30046 GPRESSAVG: 3334000 -4.13995 -24.7462 -11.7658 -26.5459 -17.861 56.8293 -11.2823 58.8037 -8.94454 TIMING: 3334000 CPU: 10593.1, 0.00311475/step Wall: 10593.1, 0.00311475/step, 1.44144 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3334000 4020.1729 20532.5869 14437.2708 241.6973 -202797.4536 2286.8037 0.0000 0.0000 52047.9516 -109230.9703 299.1203 -161278.9219 -108856.8333 299.8278 -195.4606 -172.0774 764956.1458 -10.2252 -10.3152 PRESSURE: 3334200 88.3087 -39.7632 213.409 -39.7635 182.308 95.1059 213.409 95.1056 -94.9985 GPRESSURE: 3334200 61.8625 -30.9135 251.854 33.1703 281.285 224.47 113.811 59.5724 -100.568 PRESSAVG: 3334200 14.7104 -7.87435 4.96629 -7.8744 -24.4495 2.00747 4.96629 2.00756 33.9061 GPRESSAVG: 3334200 14.0853 -8.52132 5.22663 -7.21798 -23.733 2.56591 5.52319 0.765586 33.4919 TIMING: 3334200 CPU: 10593.7, 0.00310308/step Wall: 10593.7, 0.00310308/step, 1.43587 hours remaining, 233.960938 MB of memory in use. ENERGY: 3334200 3962.8647 20675.2284 14471.5401 240.0321 -203852.3613 2997.9283 0.0000 0.0000 52289.4407 -109215.3270 300.5081 -161504.7677 -108846.2184 299.6190 58.5396 80.8600 761998.9482 8.0556 7.9481 PRESSURE: 3334400 -380.551 -78.2847 49.9462 -78.2839 -151.165 -59.689 49.9466 -59.6898 -47.5097 GPRESSURE: 3334400 -263.642 -101.379 55.8994 8.37295 -153.973 -48.5394 55.4932 -60.9454 -74.4594 PRESSAVG: 3334400 32.8989 4.76455 21.2925 4.76457 -64.7106 19.0574 21.2925 19.0573 -32.0015 GPRESSAVG: 3334400 34.1968 5.74488 21.1646 5.78162 -65.8596 18.9646 22.443 21.5935 -31.8718 TIMING: 3334400 CPU: 10594.3, 0.00309952/step Wall: 10594.3, 0.00309952/step, 1.43405 hours remaining, 233.960938 MB of memory in use. ENERGY: 3334400 4003.2302 20461.7326 14422.1575 240.2960 -203200.5057 2505.9362 0.0000 0.0000 52148.1249 -109419.0282 299.6960 -161567.1531 -109052.9112 299.5357 -193.0750 -164.0249 761478.6485 -21.2711 -21.1782 PRESSURE: 3334600 246.423 -17.9374 -4.87596 -17.938 -69.0972 0.861432 -4.87642 0.86099 329.4 GPRESSURE: 3334600 237.666 -104.185 -43.8433 54.4504 -24.7841 70.4933 112.263 -45.0113 366.077 PRESSAVG: 3334600 -15.7248 2.78132 57.2754 2.78134 -8.6508 -6.93511 57.2755 -6.9351 -23.3507 GPRESSAVG: 3334600 -16.7327 2.44132 56.9719 0.986664 -8.04053 -7.18425 56.2989 -6.79634 -23.7106 TIMING: 3334600 CPU: 10594.9, 0.00311247/step Wall: 10594.9, 0.00311247/step, 1.43986 hours remaining, 233.960938 MB of memory in use. ENERGY: 3334600 3936.3323 20524.4725 14379.8744 245.3803 -203537.9791 3023.2609 0.0000 0.0000 52043.1558 -109385.5030 299.0927 -161428.6587 -109013.3412 299.5531 168.9085 192.9864 761575.6982 -15.9088 -16.1613 PRESSURE: 3334800 28.9278 203.76 -184.042 203.76 -37.0312 87.7764 -184.042 87.7761 -76.9319 GPRESSURE: 3334800 28.3944 200.898 -153.548 194.637 -44.5831 37.4668 -117.64 170.237 -2.56749 PRESSAVG: 3334800 -6.58313 -0.993836 -16.4139 -0.993854 -5.78056 102.475 -16.4139 102.474 11.1411 GPRESSAVG: 3334800 -7.32723 -1.00845 -15.3426 -0.560122 -5.8064 103.964 -15.9576 100.585 11.9573 TIMING: 3334800 CPU: 10595.5, 0.0031137/step Wall: 10595.5, 0.0031137/step, 1.44026 hours remaining, 233.960938 MB of memory in use. ENERGY: 3334800 4066.2496 20609.8494 14504.4433 256.2290 -203156.2202 2524.0900 0.0000 0.0000 51917.6764 -109277.6827 298.3716 -161195.3591 -108915.5532 299.5138 -28.3451 -6.2521 762992.4410 -0.4075 -0.3921 PRESSURE: 3335000 -233.004 167.905 -81.4742 167.904 -44.5755 75.9425 -81.4749 75.9433 -157.622 GPRESSURE: 3335000 -174.356 126.865 -72.9751 194.722 -32.2589 71.6478 -96.0847 82.9887 -131.481 PRESSAVG: 3335000 49.1707 2.07235 30.7563 2.07235 -21.8265 17.3158 30.7563 17.3158 -1.12693 GPRESSAVG: 3335000 49.7614 -0.125631 30.1374 1.78442 -21.8375 16.1732 32.1513 18.1574 -1.06297 TIMING: 3335000 CPU: 10596.2, 0.00312661/step Wall: 10596.2, 0.00312661/step, 1.44606 hours remaining, 233.960938 MB of memory in use. ENERGY: 3335000 4026.3810 20535.3327 14418.6695 249.4344 -203026.9947 2165.8460 0.0000 0.0000 52392.1520 -109239.1790 301.0984 -161631.3310 -108872.2053 299.6176 -145.0674 -112.6986 761850.8026 8.7391 8.9536 PRESSURE: 3335200 16.487 50.6586 -161.512 50.6592 -160.546 -2.20166 -161.511 -2.20106 -146.637 GPRESSURE: 3335200 30.5486 87.9377 -169.937 141.491 -158.647 17.5452 -84.3708 63.8323 -80.9481 PRESSAVG: 3335200 -14.6061 -48.2409 17.5094 -48.2409 -10.8209 19.7152 17.5093 19.7151 22.5302 GPRESSAVG: 3335200 -13.6588 -47.7453 19.036 -46.9219 -12.2632 19.5226 15.3273 16.9974 23.1006 TIMING: 3335200 CPU: 10596.8, 0.00314733/step Wall: 10596.8, 0.00314733/step, 1.45547 hours remaining, 233.960938 MB of memory in use. ENERGY: 3335200 3963.9806 20681.5123 14460.6341 235.6657 -203071.7568 2407.6998 0.0000 0.0000 52151.2994 -109170.9648 299.7142 -161322.2642 -108806.8493 299.9236 -96.8988 -69.6823 760041.2112 -0.9656 -0.9405 PRESSURE: 3335400 -147.892 -68.7652 -12.5176 -68.7656 -348.9 186.736 -12.5183 186.736 -79.001 GPRESSURE: 3335400 -148.618 -37.3092 12.5005 55.9802 -268.227 235.819 23.0652 67.7892 -76.8345 PRESSAVG: 3335400 24.8869 -26.4502 3.96367 -26.4502 -62.447 24.245 3.96365 24.245 4.78835 GPRESSAVG: 3335400 23.4841 -25.6473 4.2645 -26.396 -60.0384 24.2073 4.17011 28.174 2.50209 TIMING: 3335400 CPU: 10597.4, 0.00314105/step Wall: 10597.4, 0.00314105/step, 1.45239 hours remaining, 233.960938 MB of memory in use. ENERGY: 3335400 4015.4784 20348.4922 14463.4194 250.3595 -202983.3107 2458.5027 0.0000 0.0000 52234.2910 -109212.7675 300.1912 -161447.0585 -108837.8957 299.6296 -191.9310 -164.5599 761758.9052 -10.9239 -11.3507 PRESSURE: 3335600 -164.646 95.3901 184.929 95.3891 108.638 30.4406 184.929 30.4413 -85.2178 GPRESSURE: 3335600 -59.8474 53.1127 194.31 50.5429 38.7251 95.9683 32.1924 48.7247 -19.324 PRESSAVG: 3335600 46.3097 -27.1087 4.59179 -27.1087 10.8825 62.8886 4.59174 62.8886 -5.85494 GPRESSAVG: 3335600 46.9847 -28.6342 3.23515 -28.8051 9.26467 64.3688 4.19652 58.9355 -5.04445 TIMING: 3335600 CPU: 10598, 0.0031146/step Wall: 10598, 0.0031146/step, 1.43998 hours remaining, 233.960938 MB of memory in use. ENERGY: 3335600 4016.3241 20489.5765 14499.8514 249.2877 -202801.9107 2488.1468 0.0000 0.0000 51966.5099 -109092.2144 298.6522 -161058.7242 -108723.5516 300.0064 -47.0751 -13.4821 761607.6021 17.1124 17.0683 PRESSURE: 3335800 14.2243 -197.162 -135.519 -197.162 51.9294 -144.469 -135.52 -144.467 -68.8833 GPRESSURE: 3335800 55.4773 -45.5069 -176.648 -150.229 91.6368 -111.406 -68.3782 -0.870215 -74.4208 PRESSAVG: 3335800 40.4497 -30.9794 1.72105 -30.9795 -6.39197 -3.07978 1.72095 -3.07974 -11.071 GPRESSAVG: 3335800 41.2651 -29.3371 0.577934 -29.2575 -6.43032 -7.16099 2.73676 1.72345 -11.5628 TIMING: 3335800 CPU: 10598.7, 0.00313003/step Wall: 10598.7, 0.00313003/step, 1.44694 hours remaining, 233.960938 MB of memory in use. ENERGY: 3335800 3963.8792 20467.8311 14517.8316 262.9656 -203218.2868 2590.2155 0.0000 0.0000 52217.2594 -109198.3045 300.0933 -161415.5638 -108833.9423 300.1391 -0.9099 24.2311 760555.9017 7.6622 7.7573 PRESSURE: 3336000 284.754 185.954 -69.3443 185.954 41.2543 322.869 -69.3438 322.869 460.43 GPRESSURE: 3336000 298.372 207.993 -27.2452 215.62 61.5633 286.16 -23.8708 226.35 520.68 PRESSAVG: 3336000 3.33237 -0.57457 -25.6037 -0.574571 9.63147 22.8846 -25.6036 22.8846 -8.41848 GPRESSAVG: 3336000 1.92207 0.13484 -24.872 -0.380759 12.2579 25.4599 -26.2974 21.1991 -9.20156 TIMING: 3336000 CPU: 10599.3, 0.00312678/step Wall: 10599.3, 0.00312678/step, 1.44527 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3336000 3951.7717 20538.1014 14574.8002 259.8231 -203485.3144 2727.3035 0.0000 0.0000 52179.0631 -109254.4515 299.8738 -161433.5146 -108876.8246 300.0356 262.1459 293.5382 762029.0964 1.5151 1.6595 PRESSURE: 3336200 49.8366 13.9551 163.411 13.9552 -66.7223 28.4692 163.411 28.4689 320.623 GPRESSURE: 3336200 90.365 114.576 152.374 -46.5272 -0.353065 -55.3751 108.718 41.8276 297.882 PRESSAVG: 3336200 26.4949 15.1578 70.5547 15.1578 -59.6187 9.12808 70.5547 9.12813 -15.1725 GPRESSAVG: 3336200 28.5148 15.9419 71.7148 13.3963 -62.4352 9.40427 69.8974 7.63984 -14.6462 TIMING: 3336200 CPU: 10599.9, 0.00311471/step Wall: 10599.9, 0.00311471/step, 1.43952 hours remaining, 233.960938 MB of memory in use. ENERGY: 3336200 3972.3921 20558.2247 14488.9725 257.4242 -203431.4922 2591.1298 0.0000 0.0000 51960.4348 -109602.9140 298.6173 -161563.3489 -109248.9013 298.8658 101.2457 129.2980 760439.0373 -16.0988 -16.1888 LDB: ============= START OF LOAD BALANCING ============== 10612.3 LDB: ============== END OF LOAD BALANCING =============== 10612.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10612.3 LDB: ============= START OF LOAD BALANCING ============== 10612.7 LDB: Largest compute 7078 load 0.030598 is 15.7% of average load 0.195495 LDB: Average compute 0.004412 is 2.3% of average load 0.195495 LDB: TIME 10612.7 LOAD: AVG 0.195495 MAX 0.215308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.793 MB LDB: TIME 10612.7 LOAD: AVG 0.195495 MAX 0.215308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: TIME 10612.7 LOAD: AVG 0.195495 MAX 0.215308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.797 MB LDB: ============== END OF LOAD BALANCING =============== 10612.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10612.7 PRESSURE: 3336400 291.958 -105.808 432.676 -105.808 91.9397 -45.3489 432.677 -45.3487 -14.9062 GPRESSURE: 3336400 292.421 -50.7859 265.807 -107.202 99.2828 -53.6668 392.545 44.2881 78.462 PRESSAVG: 3336400 96.6752 10.5628 28.0027 10.5628 -39.6223 18.5349 28.0027 18.535 -13.0104 GPRESSAVG: 3336400 96.0167 11.9139 26.1214 8.84058 -38.1466 18.0212 29.1913 19.2699 -14.0236 TIMING: 3336400 CPU: 10600.6, 0.0031801/step Wall: 10600.6, 0.0031801/step, 1.46956 hours remaining, 234.074219 MB of memory in use. ENERGY: 3336400 3940.4515 20554.2095 14502.8037 252.2464 -203738.6129 2860.6650 0.0000 0.0000 51920.1320 -109708.1047 298.3857 -161628.2367 -109349.4480 298.9047 122.9971 156.7218 761358.9543 14.6808 14.6155 PRESSURE: 3336600 229.834 -1.13808 -228.496 -1.13799 170.083 -109.665 -228.496 -109.666 116.909 GPRESSURE: 3336600 297.898 -2.5935 -147.513 66.6497 193.061 -81.064 -222.555 -1.82622 125.602 PRESSAVG: 3336600 41.2405 -18.2108 27.1861 -18.2108 -24.6141 29.6571 27.186 29.657 -1.54988 GPRESSAVG: 3336600 41.6947 -21.3728 27.5115 -15.6818 -26.5066 29.2202 28.4607 31.8992 -0.14536 TIMING: 3336600 CPU: 10601.2, 0.00313231/step Wall: 10601.2, 0.00313231/step, 1.4473 hours remaining, 234.277344 MB of memory in use. ENERGY: 3336600 4010.5361 20506.7664 14508.3653 250.2499 -203717.8902 2904.0821 0.0000 0.0000 52072.3848 -109465.5056 299.2607 -161537.8904 -109102.9382 298.6901 172.2755 205.5200 761407.0300 5.0255 5.0143 PRESSURE: 3336800 -126.351 183.09 -195.038 183.09 -123.358 85.3795 -195.038 85.3797 -251.974 GPRESSURE: 3336800 -57.211 163.71 -218.784 160.618 -103.699 41.9715 -156.835 58.4931 -243.188 PRESSAVG: 3336800 38.7735 78.4549 17.9139 78.4549 -36.1524 58.4492 17.9139 58.4491 -31.7568 GPRESSAVG: 3336800 38.589 80.3136 17.2393 77.1557 -34.8017 59.8667 16.8393 55.5242 -32.6152 TIMING: 3336800 CPU: 10601.8, 0.0031378/step Wall: 10601.8, 0.0031378/step, 1.44967 hours remaining, 234.277344 MB of memory in use. ENERGY: 3336800 4003.6011 20554.8538 14401.6873 257.4238 -203084.2383 2378.9148 0.0000 0.0000 51979.5787 -109508.1789 298.7274 -161487.7576 -109141.4531 298.8584 -167.2277 -134.6996 762094.7499 -9.7119 -9.6093 PRESSURE: 3337000 102.726 -88.4914 -148.895 -88.4921 -208.514 -150.257 -148.895 -150.256 246.32 GPRESSURE: 3337000 37.5569 -149.291 -156.418 -120.079 -119.172 -130.141 -80.6903 -149.529 280.553 PRESSAVG: 3337000 28.9524 -0.511943 -27.4906 -0.511852 -73.0368 37.4833 -27.4906 37.4834 15.9583 GPRESSAVG: 3337000 26.9741 -0.283749 -26.2653 0.795946 -72.6818 37.5141 -26.6873 36.4432 17.0594 TIMING: 3337000 CPU: 10602.4, 0.00314534/step Wall: 10602.4, 0.00314534/step, 1.45297 hours remaining, 234.277344 MB of memory in use. ENERGY: 3337000 4029.8047 20697.0673 14462.7633 240.1865 -203461.1838 2648.0619 0.0000 0.0000 51922.5769 -109460.7232 298.3998 -161383.3001 -109102.4167 298.7764 46.8442 66.3126 761259.1651 -9.3754 -9.5494 PRESSURE: 3337200 92.1347 219.256 -140.401 219.256 5.63685 -186.592 -140.401 -186.592 14.0005 GPRESSURE: 3337200 102.868 139.637 -140.878 142.729 18.9675 -153.503 -197.904 -278.561 71.4589 PRESSAVG: 3337200 32.1316 31.14 7.5677 31.1401 -15.6222 11.6398 7.56766 11.6398 -1.49221 GPRESSAVG: 3337200 33.8001 29.0843 6.61611 29.3556 -15.796 11.4381 6.32018 12.7417 -3.34669 TIMING: 3337200 CPU: 10603.1, 0.00312449/step Wall: 10603.1, 0.00312449/step, 1.44317 hours remaining, 234.277344 MB of memory in use. ENERGY: 3337200 4086.3440 20545.1006 14505.1663 245.1279 -203572.4236 2642.3121 0.0000 0.0000 52070.2758 -109478.0970 299.2486 -161548.3728 -109114.4525 299.0441 37.2573 64.4316 760776.5461 5.0057 4.8858 PRESSURE: 3337400 -208.874 177.093 -250.972 177.093 -0.425546 65.0454 -250.972 65.0465 -23.0425 GPRESSURE: 3337400 -115.799 202.142 -325.217 149.527 -6.85717 71.3756 -192.876 131.452 -28.0769 PRESSAVG: 3337400 21.0045 44.0522 -16.7511 44.0522 -15.8905 17.2466 -16.7511 17.2465 -10.6322 GPRESSAVG: 3337400 20.411 45.2033 -18.4535 45.4506 -15.8435 17.0003 -16.3281 16.9491 -10.2792 TIMING: 3337400 CPU: 10603.7, 0.00311837/step Wall: 10603.7, 0.00311837/step, 1.44017 hours remaining, 234.277344 MB of memory in use. ENERGY: 3337400 3981.7371 20554.2940 14518.8273 245.7763 -203600.2484 2637.1003 0.0000 0.0000 51966.8888 -109695.6246 298.6544 -161662.5134 -109333.9295 298.8726 -77.4474 -50.2443 762264.5800 -1.8394 -1.9039 PRESSURE: 3337600 26.8337 -49.26 108.192 -49.26 -127.516 -129.678 108.193 -129.679 104.206 GPRESSURE: 3337600 105.727 -36.9168 152.003 -42.151 -93.5252 -44.129 163.207 -85.9727 84.8475 PRESSAVG: 3337600 20.9825 14.5487 70.397 14.5487 -23.5887 53.704 70.3969 53.704 24.5581 GPRESSAVG: 3337600 21.8244 15.2501 73.4794 14.9027 -24.2641 56.0729 68.976 52.7471 24.2239 TIMING: 3337600 CPU: 10604.3, 0.00313726/step Wall: 10604.3, 0.00313726/step, 1.44872 hours remaining, 234.277344 MB of memory in use. ENERGY: 3337600 3895.5602 20501.1737 14518.6191 224.9891 -203458.4781 2609.3662 0.0000 0.0000 52120.5867 -109588.1830 299.5377 -161708.7697 -109218.2593 298.6433 1.1748 32.3498 761030.5701 7.3173 7.2614 PRESSURE: 3337800 -211.343 212.207 96.7448 212.208 -199.636 72.5057 96.7449 72.5056 -2.06329 GPRESSURE: 3337800 -212.181 213.915 -20.4463 216.113 -229.958 45.5081 87.6107 141.071 99.521 PRESSAVG: 3337800 -4.99682 8.39248 64.5971 8.39251 -52.1314 -24.1284 64.5971 -24.1284 10.3652 GPRESSAVG: 3337800 -6.09273 5.17346 61.3067 7.90764 -52.1413 -26.0012 66.2354 -22.6551 10.7816 TIMING: 3337800 CPU: 10604.9, 0.00313146/step Wall: 10604.9, 0.00313146/step, 1.44586 hours remaining, 234.417969 MB of memory in use. ENERGY: 3337800 3927.0586 20612.9908 14481.4768 246.0482 -203136.0206 2246.0625 0.0000 0.0000 52187.8601 -109434.5235 299.9243 -161622.3837 -109067.0278 299.0673 -137.6808 -114.2061 761974.3116 -15.5877 -15.8175 PRESSURE: 3338000 -181.49 -105.468 4.64937 -105.468 -227.206 -214.571 4.64922 -214.571 -241.788 GPRESSURE: 3338000 -212.527 -115.423 1.53284 -28.7819 -191.386 -219.285 -18.6162 -237.27 -162.2 PRESSAVG: 3338000 71.8333 26.8989 28.8172 26.8989 -57.5238 -9.25827 28.8172 -9.25823 22.3496 GPRESSAVG: 3338000 71.3527 28.2609 30.6824 25.91 -57.5175 -8.21087 29.2614 -9.75118 22.9724 TIMING: 3338000 CPU: 10605.6, 0.00312771/step Wall: 10605.6, 0.00312771/step, 1.44396 hours remaining, 234.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3338000 4040.4228 20484.2581 14477.6286 239.7827 -203248.3225 2393.8832 0.0000 0.0000 52169.7097 -109442.6374 299.8200 -161612.3471 -109082.3395 299.0200 -216.8279 -188.7047 761424.6094 12.2197 12.2692 PRESSURE: 3338200 -139.229 67.3616 -45.214 67.3603 208.849 228.827 -45.2138 228.827 55.6831 GPRESSURE: 3338200 -154.705 -87.5028 -41.2386 -49.3244 307.746 169.99 -73.3145 273.847 50.3819 PRESSAVG: 3338200 59.1399 -32.4026 18.9612 -32.4026 -52.283 -63.2096 18.9612 -63.2096 -3.48278 GPRESSAVG: 3338200 59.2582 -35.1273 19.6699 -32.4961 -52.4253 -64.4217 18.142 -64.7436 -3.7701 TIMING: 3338200 CPU: 10606.2, 0.00312234/step Wall: 10606.2, 0.00312234/step, 1.44131 hours remaining, 234.484375 MB of memory in use. ENERGY: 3338200 3958.5562 20555.2708 14469.9549 241.4798 -203258.5005 2471.5250 0.0000 0.0000 52088.1237 -109473.5902 299.3512 -161561.7138 -109109.5720 299.3002 41.7677 67.8075 763071.1728 1.1247 1.0209 PRESSURE: 3338400 195.06 12.9317 -30.4076 12.9321 -232.96 232.473 -30.4071 232.472 -155.555 GPRESSURE: 3338400 248.878 -58.728 -85.4663 -8.86298 -253.358 272.716 138.663 186.595 -135.91 PRESSAVG: 3338400 47.9815 1.70217 2.73928 1.70217 -3.89797 14.6507 2.73929 14.6506 -8.48299 GPRESSAVG: 3338400 47.5316 3.41733 2.75313 2.58696 -3.81487 13.6384 5.79512 16.0269 -8.3919 TIMING: 3338400 CPU: 10606.8, 0.00313876/step Wall: 10606.8, 0.00313876/step, 1.44871 hours remaining, 234.484375 MB of memory in use. ENERGY: 3338400 3949.3786 20481.3923 14496.4107 254.3168 -203298.6604 2610.0733 0.0000 0.0000 52005.6366 -109501.4521 298.8771 -161507.0887 -109125.8000 298.7984 -64.4850 -46.7965 761916.9776 11.8668 11.7749 PRESSURE: 3338600 -36.4919 -59.9507 -140.909 -59.9504 111.115 -41.3011 -140.909 -41.3007 -3.16806 GPRESSURE: 3338600 -20.7026 33.5979 -229.925 13.9994 196.511 -116.835 -59.6361 -88.1885 -24.0579 PRESSAVG: 3338600 21.4989 -10.5806 26.8074 -10.5807 -22.6207 14.5307 26.8074 14.5306 -7.72198 GPRESSAVG: 3338600 21.5907 -11.2772 26.1378 -7.87609 -22.1241 15.9323 24.471 13.1437 -8.64231 TIMING: 3338600 CPU: 10607.4, 0.00312814/step Wall: 10607.4, 0.00312814/step, 1.44364 hours remaining, 234.484375 MB of memory in use. ENERGY: 3338600 3942.1378 20499.0522 14511.7798 231.4493 -203634.2665 2825.5271 0.0000 0.0000 51994.3162 -109630.0041 298.8120 -161624.3203 -109267.6670 298.8411 23.8183 50.5834 761119.9206 -2.9479 -3.0586 PRESSURE: 3338800 145.799 29.1651 3.43648 29.1662 -22.9366 -147.439 3.43681 -147.439 486.71 GPRESSURE: 3338800 116.633 -87.5094 -12.8991 85.5182 16.4321 -196.398 4.54963 -111.916 578.731 PRESSAVG: 3338800 37.9382 34.6643 42.3092 34.6644 -7.12301 -34.1653 42.3092 -34.1653 -3.03876 GPRESSAVG: 3338800 38.8687 35.0183 44.8204 31.2693 -8.5257 -35.1898 42.5467 -33.2746 -2.45751 TIMING: 3338800 CPU: 10608.1, 0.00312097/step Wall: 10608.1, 0.00312097/step, 1.44015 hours remaining, 234.484375 MB of memory in use. ENERGY: 3338800 3933.0418 20431.8105 14496.8595 250.8875 -203575.9231 2788.9747 0.0000 0.0000 51996.5268 -109677.8223 298.8248 -161674.3492 -109308.5051 298.8702 203.1906 237.2653 759049.6624 9.2588 9.2952 PRESSURE: 3339000 135.812 -31.3075 65.5291 -31.307 -343.619 -115.013 65.5301 -115.013 -401.647 GPRESSURE: 3339000 165.334 -13.6803 47.1419 -31.1145 -258.092 -46.1581 33.5371 -246.808 -419.538 PRESSAVG: 3339000 -51.7609 35.1938 54.2431 35.1938 39.497 -58.6856 54.243 -58.6856 -11.209 GPRESSAVG: 3339000 -53.136 35.4526 51.5398 36.5987 39.7819 -58.7809 55.9844 -56.6804 -9.63363 TIMING: 3339000 CPU: 10608.7, 0.00313548/step Wall: 10608.7, 0.00313548/step, 1.44668 hours remaining, 234.484375 MB of memory in use. ENERGY: 3339000 3947.8957 20495.7321 14459.4308 241.8999 -203482.5086 2572.8932 0.0000 0.0000 52048.9621 -109715.6949 299.1261 -161764.6570 -109346.2977 298.8142 -203.1511 -170.7653 760149.3348 -7.8243 -7.6626 PRESSURE: 3339200 -2.21702 -99.8292 48.1679 -99.8297 -11.8593 153.207 48.1678 153.208 61.5863 GPRESSURE: 3339200 28.867 -136.322 55.2948 -47.6047 30.3868 108.4 0.565195 104.021 71.1019 PRESSAVG: 3339200 -22.6092 28.5738 55.0036 28.5738 24.9123 -45.794 55.0036 -45.7941 -4.5948 GPRESSAVG: 3339200 -22.5976 28.6677 55.0818 29.1983 27.4027 -44.905 54.7038 -44.7877 -6.77696 TIMING: 3339200 CPU: 10609.3, 0.00313205/step Wall: 10609.3, 0.00313205/step, 1.44492 hours remaining, 234.484375 MB of memory in use. ENERGY: 3339200 3940.4425 20526.6837 14488.0159 234.9776 -203593.4468 2528.1638 0.0000 0.0000 52343.9765 -109531.1867 300.8216 -161875.1632 -109159.7440 299.4132 15.8367 43.4519 760234.5607 -0.7639 -0.6573 PRESSURE: 3339400 255.32 69.0948 63.9738 69.0948 -489.412 93.6638 63.9737 93.663 285.563 GPRESSURE: 3339400 299.69 96.938 92.7259 89.7448 -419.624 118.352 104.302 81.1197 247.304 PRESSAVG: 3339400 26.1187 38.2325 44.4902 38.2325 -54.7591 2.09009 44.4903 2.09014 -7.04791 GPRESSAVG: 3339400 26.8441 39.9516 45.3767 37.281 -56.0545 0.905532 43.6927 -2.02239 -6.11809 TIMING: 3339400 CPU: 10610, 0.00312013/step Wall: 10610, 0.00312013/step, 1.43925 hours remaining, 234.484375 MB of memory in use. ENERGY: 3339400 3965.8276 20435.5363 14514.8735 250.0119 -203005.0013 2408.0712 0.0000 0.0000 51802.8508 -109627.8300 297.7117 -161430.6808 -109258.5249 299.1207 17.1573 42.4568 761543.6620 -11.8961 -11.7762 PRESSURE: 3339600 13.7076 -75.8203 -94.8674 -75.819 -244.816 4.59245 -94.8677 4.59201 224.983 GPRESSURE: 3339600 49.2065 9.78497 -14.7423 -38.18 -118.81 37.7806 -154.337 8.50165 140.49 PRESSAVG: 3339600 -16.701 -2.22818 18.7103 -2.22812 36.916 -11.3753 18.7103 -11.3754 0.219792 GPRESSAVG: 3339600 -15.6509 -3.9732 19.8237 -0.683174 36.5933 -10.4548 18.3448 -8.60595 -0.790342 TIMING: 3339600 CPU: 10610.6, 0.00311867/step Wall: 10610.6, 0.00311867/step, 1.4384 hours remaining, 234.484375 MB of memory in use. ENERGY: 3339600 3936.4793 20606.4988 14465.5353 253.4387 -203284.1984 2725.1994 0.0000 0.0000 51623.5947 -109673.4523 296.6815 -161297.0470 -109313.5309 298.8563 -2.0421 23.6290 760391.9433 6.8116 6.7174 PRESSURE: 3339800 -286.451 210.933 -31.515 210.934 -3.83995 -59.5784 -31.5163 -59.5786 321.357 GPRESSURE: 3339800 -225.861 187.24 21.9025 160.465 75.0245 -73.4986 89.8271 -92.1858 290.077 PRESSAVG: 3339800 12.9993 14.4138 10.9772 14.4138 48.8574 -5.09063 10.9772 -5.09061 14.9325 GPRESSAVG: 3339800 13.0565 15.394 8.46137 12.066 48.6255 -5.23444 13.5811 -5.98709 15.2763 TIMING: 3339800 CPU: 10611.2, 0.00310537/step Wall: 10611.2, 0.00310537/step, 1.43209 hours remaining, 234.484375 MB of memory in use. ENERGY: 3339800 3946.0431 20437.7827 14493.4882 257.2576 -203027.3792 2291.3309 0.0000 0.0000 51884.6607 -109716.8159 298.1819 -161601.4766 -109350.7396 298.9487 10.3551 46.4134 759996.7387 25.5964 25.6528 PRESSURE: 3340000 -65.2724 127.108 108.104 127.108 -14.3247 49.5007 108.104 49.4992 584.275 GPRESSURE: 3340000 19.0598 39.7128 14.0208 78.4655 -29.8773 37.8958 132.905 224.471 597.884 PRESSAVG: 3340000 43.8524 37.2137 -4.15902 37.2137 -46.8475 -6.02483 -4.15903 -6.02474 3.24706 GPRESSAVG: 3340000 44.2538 36.6149 -3.47422 37.7756 -46.6007 -6.32626 -5.02522 -5.14597 2.62125 TIMING: 3340000 CPU: 10611.8, 0.00311696/step Wall: 10611.8, 0.00311696/step, 1.43726 hours remaining, 234.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3340000 4032.8776 20327.8335 14403.9253 253.3556 -203439.3648 2708.6920 0.0000 0.0000 52050.9622 -109661.7187 299.1376 -161712.6808 -109301.3830 298.3112 168.2260 195.6890 762484.2793 0.0840 0.0914 PRESSURE: 3340200 -372.151 -43.011 12.7196 -43.0099 263.423 98.4511 12.7191 98.4511 60.5677 GPRESSURE: 3340200 -271.186 -6.2507 95.8905 1.43911 234.554 66.0999 152.946 10.518 89.0245 PRESSAVG: 3340200 -26.2835 40.4441 -19.0435 40.4441 -28.3653 9.08441 -19.0436 9.0844 3.49667 GPRESSAVG: 3340200 -26.8842 39.7497 -19.5001 40.0661 -28.3464 9.35748 -17.316 7.86991 4.43138 TIMING: 3340200 CPU: 10612.4, 0.00312057/step Wall: 10612.4, 0.00312057/step, 1.43875 hours remaining, 234.484375 MB of memory in use. ENERGY: 3340200 4042.5632 20503.1139 14428.0217 246.5798 -203474.1474 2744.7332 0.0000 0.0000 51865.1865 -109643.9491 298.0699 -161509.1356 -109291.2592 298.2281 -16.0534 17.4641 760791.2735 -17.0507 -16.9331 LDB: ============= START OF LOAD BALANCING ============== 10624.9 LDB: ============== END OF LOAD BALANCING =============== 10624.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10624.9 LDB: ============= START OF LOAD BALANCING ============== 10625.2 LDB: Largest compute 7041 load 0.029803 is 15.2% of average load 0.195464 LDB: Average compute 0.004390 is 2.2% of average load 0.195464 LDB: TIME 10625.2 LOAD: AVG 0.195464 MAX 0.21726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.086 MB LDB: TIME 10625.2 LOAD: AVG 0.195464 MAX 0.21726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.086 MB LDB: TIME 10625.2 LOAD: AVG 0.195464 MAX 0.21726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.086 MB LDB: ============== END OF LOAD BALANCING =============== 10625.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10625.2 PRESSURE: 3340400 75.4933 113.185 3.68585 113.186 283.548 112.424 3.68553 112.425 159.992 GPRESSURE: 3340400 151.915 60.4468 38.3033 131.32 296.404 74.7385 -56.4498 -38.1647 153.983 PRESSAVG: 3340400 -36.0705 5.19464 30.9084 5.19464 19.4429 -57.9991 30.9084 -57.999 -6.88401 GPRESSAVG: 3340400 -36.8273 4.83906 33.2656 7.44635 18.7151 -57.7822 27.3401 -58.2545 -5.36177 TIMING: 3340400 CPU: 10613.1, 0.00321051/step Wall: 10613.1, 0.00321051/step, 1.48005 hours remaining, 233.101562 MB of memory in use. ENERGY: 3340400 4052.0928 20537.7085 14437.8570 244.0218 -203766.4732 2751.9602 0.0000 0.0000 51909.8419 -109832.9909 298.3266 -161742.8328 -109471.4751 298.3985 173.0112 200.7675 759856.0186 -7.8372 -7.8247 PRESSURE: 3340600 -30.5662 -60.5084 -17.3297 -60.5083 58.7175 35.2959 -17.3302 35.2964 63.7454 GPRESSURE: 3340600 21.5125 56.9857 -87.798 -60.2731 89.255 95.3664 -14.7195 -23.841 60.231 PRESSAVG: 3340600 -64.3989 32.9609 4.03898 32.961 53.7403 -30.0347 4.03891 -30.0348 -22.7984 GPRESSAVG: 3340600 -64.0141 34.9428 2.79047 31.401 54.4752 -31.3778 6.18922 -30.2626 -24.5846 TIMING: 3340600 CPU: 10613.7, 0.00312021/step Wall: 10613.7, 0.00312021/step, 1.43824 hours remaining, 233.300781 MB of memory in use. ENERGY: 3340600 3929.3974 20534.2220 14465.5684 241.6251 -203420.8899 2479.4580 0.0000 0.0000 52056.8730 -109713.7461 299.1716 -161770.6191 -109352.8310 298.8296 30.6322 56.9995 759509.9846 -11.1523 -11.3745 PRESSURE: 3340800 -386.714 235.816 176.83 235.816 -241.844 -241.633 176.83 -241.634 -32.5653 GPRESSURE: 3340800 -414.162 195.881 229.801 157.82 -85.9207 -170.749 116.164 -164.574 -61.5144 PRESSAVG: 3340800 -24.2595 -18.4656 -8.04738 -18.4656 36.1369 -2.96331 -8.04742 -2.9633 -2.771 GPRESSAVG: 3340800 -23.9938 -20.4133 -7.43119 -19.1984 35.8893 -3.61102 -9.18043 -2.75373 -3.19845 TIMING: 3340800 CPU: 10614.3, 0.00311241/step Wall: 10614.3, 0.00311241/step, 1.43447 hours remaining, 233.503906 MB of memory in use. ENERGY: 3340800 3990.2171 20302.5741 14436.9492 247.5013 -203071.0030 2350.1437 0.0000 0.0000 52033.1031 -109710.5143 299.0350 -161743.6174 -109338.5723 298.9034 -220.3743 -187.1990 759712.7398 3.0355 2.8990 PRESSURE: 3341000 87.7106 179.612 -171.897 179.611 42.612 84.1506 -171.897 84.1498 277.31 GPRESSURE: 3341000 101.033 92.0563 -238.193 124.731 105.274 52.4847 72.7893 10.3149 308.224 PRESSAVG: 3341000 -38.439 41.0912 -17.0991 41.0913 29.4256 48.292 -17.0991 48.292 33.8165 GPRESSAVG: 3341000 -38.0145 42.405 -19.735 43.012 29.2687 49.667 -14.0588 48.9891 32.826 TIMING: 3341000 CPU: 10615, 0.00312597/step Wall: 10615, 0.00312597/step, 1.44055 hours remaining, 233.503906 MB of memory in use. ENERGY: 3341000 3981.2248 20478.5027 14460.6512 235.2301 -203242.5992 2607.2550 0.0000 0.0000 51908.6870 -109571.0485 298.3199 -161479.7355 -109208.8147 299.1193 135.8776 171.5102 760046.3446 8.2677 8.0267 PRESSURE: 3341200 -359.555 410.327 15.2479 410.328 -56.4835 85.7027 15.248 85.7019 61.868 GPRESSURE: 3341200 -335.601 276.042 -80.7311 402.761 18.0612 39.5868 21.9872 -26.8555 67.9498 PRESSAVG: 3341200 -30.7893 67.7756 2.53427 67.7755 30.8941 37.8352 2.53432 37.8352 -17.5922 GPRESSAVG: 3341200 -31.8656 69.6435 3.1912 66.3382 31.1605 37.1866 1.23104 35.8117 -17.109 TIMING: 3341200 CPU: 10615.6, 0.00311664/step Wall: 10615.6, 0.00311664/step, 1.43608 hours remaining, 233.574219 MB of memory in use. ENERGY: 3341200 3935.0790 20464.4597 14472.4225 235.3278 -203305.8689 2588.0331 0.0000 0.0000 51990.1094 -109620.4375 298.7879 -161610.5469 -109266.3656 298.8596 -118.0568 -83.1967 760314.5343 -5.8291 -5.9380 PRESSURE: 3341400 310.724 27.5604 -53.1045 27.5608 81.7084 -108.54 -53.104 -108.54 38.6073 GPRESSURE: 3341400 397.274 -18.6474 -50.3859 51.7576 111.654 -105.757 60.4535 -28.0927 33.468 PRESSAVG: 3341400 1.34335 34.683 -19.3851 34.683 11.2545 -37.5943 -19.3852 -37.5943 -14.8208 GPRESSAVG: 3341400 -0.605503 33.7065 -19.304 35.1385 11.0966 -38.0117 -19.0329 -36.0643 -12.4909 TIMING: 3341400 CPU: 10616.2, 0.00310779/step Wall: 10616.2, 0.00310779/step, 1.43183 hours remaining, 233.574219 MB of memory in use. ENERGY: 3341400 4006.4067 20433.3295 14437.0141 231.7165 -203278.5476 2669.0038 0.0000 0.0000 52148.3489 -109352.7280 299.6973 -161501.0770 -108991.2169 299.5630 143.6799 180.7987 761154.7342 -0.7410 -0.6666 PRESSURE: 3341600 85.7505 -16.1003 13.9185 -16.099 211.647 81.5183 13.9185 81.5181 -198.494 GPRESSURE: 3341600 27.4663 -74.1841 49.2556 62.9332 229.304 78.4154 72.5106 69.0752 -85.3086 PRESSAVG: 3341600 -3.19388 28.0261 -11.8537 28.026 27.2226 52.8413 -11.8538 52.8414 12.7731 GPRESSAVG: 3341600 -0.918911 28.4234 -10.9368 29.4719 26.0568 52.4559 -12.2275 54.3114 11.4818 TIMING: 3341600 CPU: 10616.8, 0.00311377/step Wall: 10616.8, 0.00311377/step, 1.43441 hours remaining, 233.574219 MB of memory in use. ENERGY: 3341600 4009.8202 20520.3294 14480.5558 239.4074 -203499.7065 2655.9614 0.0000 0.0000 52253.8388 -109339.7935 300.3035 -161593.6323 -108970.1856 299.9439 32.9679 57.1538 762465.1662 12.2673 12.2065 PRESSURE: 3341800 -88.0005 20.8897 -57.2481 20.8908 -190.571 -102.52 -57.2487 -102.52 101.195 GPRESSURE: 3341800 -76.079 76.675 -70.7258 36.5662 -182.42 -77.8276 -107.293 -105.043 158.112 PRESSAVG: 3341800 15.7305 -20.0842 62.3884 -20.0841 -34.866 -11.7072 62.3884 -11.7073 3.0664 GPRESSAVG: 3341800 15.0276 -20.8808 62.9415 -21.9996 -34.66 -9.81381 60.0685 -14.0379 3.86102 TIMING: 3341800 CPU: 10617.4, 0.00311233/step Wall: 10617.4, 0.00311233/step, 1.43357 hours remaining, 233.628906 MB of memory in use. ENERGY: 3341800 4016.4940 20414.9997 14547.9586 240.6739 -203179.6935 2468.4679 0.0000 0.0000 52081.9515 -109409.1480 299.3157 -161491.0995 -109049.8681 299.4350 -59.1258 -33.4622 762037.7411 -5.3564 -5.2571 PRESSURE: 3342000 61.4114 32.2475 -294.871 32.2464 -30.0577 10.8318 -294.871 10.8322 -302.263 GPRESSURE: 3342000 112.157 -66.9745 -303.598 17.1388 11.9718 -16.8094 -332.967 -29.6981 -285.465 PRESSAVG: 3342000 -25.189 13.0904 27.6396 13.0904 57.4708 4.80596 27.6397 4.80598 -8.76374 GPRESSAVG: 3342000 -24.4817 12.3972 26.1241 13.2621 57.4739 2.85799 27.9414 6.4171 -9.90473 TIMING: 3342000 CPU: 10618.1, 0.00311236/step Wall: 10618.1, 0.00311236/step, 1.43341 hours remaining, 233.628906 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: 3342000 4052.8627 20426.4691 14475.6008 267.5579 -203449.5165 2494.0457 0.0000 0.0000 52137.4561 -109595.5244 299.6347 -161732.9805 -109220.4730 299.1526 -90.3031 -53.7789 761831.9862 7.8394 7.6958 PRESSURE: 3342200 -81.7517 40.132 198.495 40.1324 -48.8953 99.1039 198.495 99.1036 -474.064 GPRESSURE: 3342200 -1.42685 68.1557 188.138 180.252 -90.8099 -44.9092 163.743 38.2018 -442.843 PRESSAVG: 3342200 -0.960485 -11.5843 -2.14852 -11.5843 32.6723 12.7893 -2.14848 12.7893 -22.5634 GPRESSAVG: 3342200 -1.82081 -11.4459 -2.20859 -9.79457 32.7604 13.8907 -1.63598 12.0378 -22.1356 TIMING: 3342200 CPU: 10618.7, 0.0031082/step Wall: 10618.7, 0.0031082/step, 1.43133 hours remaining, 233.628906 MB of memory in use. ENERGY: 3342200 4050.3237 20506.6391 14498.5054 230.7082 -203518.9676 2832.4787 0.0000 0.0000 51940.9034 -109459.4092 298.5051 -161400.3126 -109095.9750 299.0659 -201.5705 -178.3598 761678.1499 3.0495 2.9346 PRESSURE: 3342400 6.59934 -14.2742 109.274 -14.2734 -114.651 -6.81069 109.274 -6.80948 -558.262 GPRESSURE: 3342400 26.6356 -3.18723 116.403 39.4931 -84.9125 72.2824 87.5676 -82.6803 -513.27 PRESSAVG: 3342400 3.73797 1.72855 -27.2418 1.72857 -9.60064 17.5254 -27.2418 17.5255 -6.42639 GPRESSAVG: 3342400 4.54836 0.818931 -27.4126 3.02029 -10.4964 17.0842 -25.3388 18.5921 -6.61727 TIMING: 3342400 CPU: 10619.3, 0.00310846/step Wall: 10619.3, 0.00310846/step, 1.43127 hours remaining, 233.628906 MB of memory in use. ENERGY: 3342400 4021.2196 20404.1420 14497.0132 231.6647 -203647.3081 2806.4763 0.0000 0.0000 52194.1729 -109492.6195 299.9606 -161686.7924 -109130.1405 299.6483 -222.1043 -190.5156 761692.1163 -4.0964 -4.1884 PRESSURE: 3342600 -18.0194 284.17 236.977 284.169 493.772 -97.7626 236.976 -97.7628 149.622 GPRESSURE: 3342600 -46.0047 232.371 329.186 276.625 584.716 -37.3078 247.603 -183.791 167.956 PRESSAVG: 3342600 -58.8927 81.1969 -29.3737 81.197 -3.22777 -11.3589 -29.3737 -11.359 -11.8305 GPRESSAVG: 3342600 -61.3072 83.405 -28.1744 78.9324 -1.20363 -11.5623 -30.3913 -12.0963 -11.4539 TIMING: 3342600 CPU: 10619.9, 0.00310922/step Wall: 10619.9, 0.00310922/step, 1.43145 hours remaining, 233.628906 MB of memory in use. ENERGY: 3342600 3892.0574 20516.9821 14449.6706 271.8567 -203476.0691 2785.7782 0.0000 0.0000 51921.0215 -109638.7028 298.3908 -161559.7242 -109287.7615 299.3028 208.4583 235.5559 760998.3684 -24.6503 -24.6549 PRESSURE: 3342800 -104.287 192.785 151.846 192.786 245.073 16.4964 151.846 16.4965 222.498 GPRESSURE: 3342800 -32.4773 198.571 113.161 275.119 303.575 -19.9056 35.6611 68.593 189.933 PRESSAVG: 3342800 -12.4722 -13.9338 8.52196 -13.9338 -3.09149 65.372 8.52199 65.3721 5.40655 GPRESSAVG: 3342800 -11.1539 -14.7935 7.97554 -16.3186 -3.63313 64.6309 10.0458 65.6337 5.48412 TIMING: 3342800 CPU: 10620.6, 0.00312008/step Wall: 10620.6, 0.00312008/step, 1.43628 hours remaining, 233.628906 MB of memory in use. ENERGY: 3342800 3987.2264 20488.2997 14406.2194 240.5723 -203591.0731 2842.5016 0.0000 0.0000 51975.1991 -109651.0545 298.7022 -161626.2537 -109288.5991 299.0489 121.0946 153.6767 762101.5380 -3.3857 -3.1010 PRESSURE: 3343000 -97.6469 -107.953 39.5661 -107.952 -12.3013 69.6572 39.5659 69.6582 255.393 GPRESSURE: 3343000 44.8464 -61.8249 -17.1221 -33.9862 -28.1969 224.876 109.965 -45.1322 214.933 PRESSAVG: 3343000 -17.4913 -4.65983 -17.0198 -4.65983 -14.915 -9.79924 -17.0198 -9.79929 -12.2126 GPRESSAVG: 3343000 -18.2525 -5.72074 -16.7676 -1.78371 -14.0119 -7.4913 -18.2893 -9.61947 -12.6066 TIMING: 3343000 CPU: 10621.2, 0.00311452/step Wall: 10621.2, 0.00311452/step, 1.43354 hours remaining, 233.628906 MB of memory in use. ENERGY: 3343000 4038.7265 20309.6293 14476.6487 237.3173 -203691.5988 2916.4660 0.0000 0.0000 51999.1095 -109713.7015 298.8396 -161712.8110 -109352.2611 299.0551 48.4816 77.1942 761350.7269 -14.8730 -14.9570 PRESSURE: 3343200 -352.845 -142.931 -207.962 -142.932 68.3812 -195.68 -207.962 -195.68 245.132 GPRESSURE: 3343200 -293.078 80.732 -206.25 -178.914 100.897 -95.425 -254.645 -195.983 232.138 PRESSAVG: 3343200 18.0637 9.5036 7.72328 9.50357 -30.9368 27.576 7.72329 27.576 23.4192 GPRESSAVG: 3343200 18.7715 13.2696 6.99293 6.92305 -32.5889 28.4656 9.39344 27.1256 24.1608 TIMING: 3343200 CPU: 10621.8, 0.00311311/step Wall: 10621.8, 0.00311311/step, 1.43272 hours remaining, 233.628906 MB of memory in use. ENERGY: 3343200 3947.7937 20546.3074 14387.3401 240.4312 -203233.8533 2379.7674 0.0000 0.0000 52101.5747 -109630.6387 299.4285 -161732.2134 -109257.8914 298.5351 -13.1106 13.3189 761987.6249 3.5153 3.4478 PRESSURE: 3343400 139.686 229.598 96.5732 229.598 -28.8368 -39.9696 96.5737 -39.9692 124.522 GPRESSURE: 3343400 201.328 324.882 57.5067 114.789 -10.6779 -158.144 220.55 23.9671 155.98 PRESSAVG: 3343400 9.70431 5.52625 46.5832 5.52629 -15.6279 21.0303 46.5833 21.0303 -0.764168 GPRESSAVG: 3343400 9.95768 2.107 48.9922 8.32975 -15.4194 17.9854 45.3005 23.7478 -1.14486 TIMING: 3343400 CPU: 10622.4, 0.0031203/step Wall: 10622.4, 0.0031203/step, 1.43586 hours remaining, 233.628906 MB of memory in use. ENERGY: 3343400 3900.1694 20327.6747 14450.6426 245.6963 -203511.1210 2796.5157 0.0000 0.0000 51743.9454 -110046.4769 297.3732 -161790.4223 -109680.7388 298.6377 78.4570 115.5432 760884.4829 -2.2293 -2.2022 PRESSURE: 3343600 -125.742 77.8925 49.0174 77.8916 29.6952 -49.6885 49.0173 -49.6882 197.651 GPRESSURE: 3343600 -123.43 38.8339 39.1101 99.1524 77.9526 -70.212 83.5636 -120.339 237.86 PRESSAVG: 3343600 10.1782 -30.7441 -1.83431 -30.7441 4.86924 3.5123 -1.83431 3.51229 -17.0765 GPRESSAVG: 3343600 9.82762 -30.5508 -2.98663 -31.8294 4.62891 3.58366 -2.67228 0.619524 -17.0886 TIMING: 3343600 CPU: 10623.1, 0.00311551/step Wall: 10623.1, 0.00311551/step, 1.43348 hours remaining, 233.628906 MB of memory in use. ENERGY: 3343600 4004.9837 20409.8608 14400.4271 251.6536 -203679.5946 2613.1089 0.0000 0.0000 52032.8934 -109966.6670 299.0338 -161999.5605 -109598.6259 297.8380 33.8681 64.1277 760258.1488 -0.6763 -0.8773 PRESSURE: 3343800 204.037 -118.85 25.5323 -118.85 62.476 221.243 25.5319 221.245 118.176 GPRESSURE: 3343800 181.714 19.9732 39.0789 -133.75 100.846 261.485 -110.287 117.317 188.11 PRESSAVG: 3343800 -0.692965 -20.9141 52.4281 -20.9141 12.8292 1.4455 52.4281 1.44552 9.75868 GPRESSAVG: 3343800 -0.0731105 -19.1744 52.0573 -20.1206 13.6418 2.52232 50.6683 0.384102 9.10496 TIMING: 3343800 CPU: 10623.7, 0.00313054/step Wall: 10623.7, 0.00313054/step, 1.44022 hours remaining, 233.628906 MB of memory in use. ENERGY: 3343800 3989.4845 20537.7614 14476.3895 234.5455 -203819.5778 2755.3321 0.0000 0.0000 51896.8553 -109929.2095 298.2519 -161826.0649 -109575.5464 297.8960 128.2296 156.8901 760549.3472 7.2983 7.5579 PRESSURE: 3344000 155.537 149.634 -118.324 149.634 -417.952 53.2319 -118.325 53.2316 -212.837 GPRESSURE: 3344000 153.569 160.366 -209.147 181.166 -327.484 18.1425 -57.1849 79.7976 -219.89 PRESSAVG: 3344000 -6.40964 -21.8648 -26.4294 -21.8648 -23.7767 10.4151 -26.4294 10.415 -2.84084 GPRESSAVG: 3344000 -7.70407 -23.2509 -26.4516 -21.9715 -23.1903 10.6729 -25.4328 12.3255 -2.38698 TIMING: 3344000 CPU: 10624.3, 0.0031264/step Wall: 10624.3, 0.0031264/step, 1.43814 hours remaining, 233.628906 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: 3344000 3980.2262 20505.6937 14461.3057 275.6956 -203661.8378 2663.3883 0.0000 0.0000 52098.5659 -109676.9624 299.4112 -161775.5283 -109324.5481 298.3278 -158.4173 -131.2680 761432.7447 -11.0090 -11.0938 PRESSURE: 3344200 -587.144 -203.782 77.5246 -203.781 -174.391 -177.95 77.5251 -177.95 434.352 GPRESSURE: 3344200 -506.862 -377.053 75.9269 -115.008 -150.671 -122.451 207.346 -212.071 422.832 PRESSAVG: 3344200 3.5815 -15.1023 5.91105 -15.1023 -13.6047 0.949198 5.91103 0.949147 6.93519 GPRESSAVG: 3344200 4.91569 -16.2317 4.42906 -15.2012 -14.4782 0.387406 6.53887 2.99686 7.13762 TIMING: 3344200 CPU: 10624.9, 0.00313305/step Wall: 10624.9, 0.00313305/step, 1.44103 hours remaining, 233.628906 MB of memory in use. ENERGY: 3344200 3968.6137 20578.5650 14498.2171 256.6748 -203323.9871 2390.6894 0.0000 0.0000 52111.6066 -109519.6206 299.4861 -161631.2271 -109162.3343 299.1790 -109.0608 -78.2336 761208.1880 -1.0293 -0.8083 LDB: ============= START OF LOAD BALANCING ============== 10637.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10637.3 LDB: =============== DONE WITH MIGRATION ================ 10637.3 LDB: ============= START OF LOAD BALANCING ============== 10637.7 LDB: Largest compute 7078 load 0.031384 is 16.0% of average load 0.195551 LDB: Average compute 0.004395 is 2.2% of average load 0.195551 LDB: TIME 10637.7 LOAD: AVG 0.195551 MAX 0.220858 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 10637.7 LOAD: AVG 0.195551 MAX 0.220858 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: TIME 10637.7 LOAD: AVG 0.195551 MAX 0.217952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: ============== END OF LOAD BALANCING =============== 10637.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10637.7 PRESSURE: 3344400 187.272 119.764 -101.669 119.764 9.12365 -265.655 -101.67 -265.654 167.147 GPRESSURE: 3344400 257.187 142.392 -90.9163 2.85359 19.1287 -228.47 -82.6168 -235.051 171.727 PRESSAVG: 3344400 28.4424 1.63628 22.2427 1.63624 -30.6095 -48.4441 22.2428 -48.4441 -17.3434 GPRESSAVG: 3344400 28.5793 3.40788 24.4168 -0.522919 -30.5306 -49.2807 20.0212 -48.751 -18.1825 TIMING: 3344400 CPU: 10625.6, 0.0031904/step Wall: 10625.6, 0.0031904/step, 1.46723 hours remaining, 235.285156 MB of memory in use. ENERGY: 3344400 3944.2543 20525.5315 14390.2356 226.3657 -203672.3394 2893.5694 0.0000 0.0000 52247.1279 -109445.2549 300.2650 -161692.3828 -109066.0444 299.1729 121.1811 149.3476 760196.7067 -6.5035 -6.7112 PRESSURE: 3344600 -36.1052 -93.8686 -45.1021 -93.868 -189.876 -5.64605 -45.1026 -5.64606 127.227 GPRESSURE: 3344600 -60.9867 -4.75477 -23.5359 -54.8895 -113.67 -27.4578 8.63298 -61.6989 150.139 PRESSAVG: 3344600 18.8436 -22.9418 -1.78548 -22.9419 34.5315 -1.06582 -1.78551 -1.06579 -14.9125 GPRESSAVG: 3344600 19.5942 -22.9136 -2.57109 -20.7753 34.8458 0.633758 2.11262 -3.01183 -15.0553 TIMING: 3344600 CPU: 10626.2, 0.003134/step Wall: 10626.2, 0.003134/step, 1.44112 hours remaining, 235.355469 MB of memory in use. ENERGY: 3344600 4055.6589 20636.7465 14417.9876 267.0133 -203449.8045 2718.2774 0.0000 0.0000 51872.9586 -109481.1622 298.1146 -161354.1209 -109135.0186 299.2399 -32.9180 -8.1728 761397.5915 12.8209 13.1282 PRESSURE: 3344800 338.099 213.784 23.093 213.784 -150 31.5179 23.0929 31.518 -489.626 GPRESSURE: 3344800 202.072 173.028 -7.9561 62.487 -0.422944 -25.2245 34.7514 54.2171 -427.322 PRESSAVG: 3344800 29.7302 -10.2722 0.128772 -10.2721 -31.31 -9.91344 0.128736 -9.91346 5.89593 GPRESSAVG: 3344800 28.9458 -10.3447 0.502418 -11.1193 -31.1722 -10.9929 0.0172849 -8.87013 6.51841 TIMING: 3344800 CPU: 10626.8, 0.00312981/step Wall: 10626.8, 0.00312981/step, 1.43902 hours remaining, 235.355469 MB of memory in use. ENERGY: 3344800 4075.1384 20491.2054 14444.6131 235.2614 -203388.8657 2733.3290 0.0000 0.0000 52186.8672 -109222.4512 299.9186 -161409.3184 -108855.8015 299.7195 -100.5094 -75.2244 760336.6062 1.4387 1.4306 PRESSURE: 3345000 -84.7886 -156.36 -131.626 -156.359 -145.333 90.4255 -131.625 90.4259 113.719 GPRESSURE: 3345000 -34.6686 -60.4451 -219.362 -107.751 -163.428 205.741 -170.99 -17.5514 155.787 PRESSAVG: 3345000 22.4886 30.718 -0.111651 30.7181 -23.6445 49.1956 -0.111641 49.1956 -15.6191 GPRESSAVG: 3345000 22.1968 29.4343 -0.82074 33.4333 -23.5245 49.1208 -2.56031 49.7282 -15.1744 TIMING: 3345000 CPU: 10627.4, 0.0031287/step Wall: 10627.4, 0.0031287/step, 1.43833 hours remaining, 235.355469 MB of memory in use. ENERGY: 3345000 4021.4534 20406.8164 14469.6754 241.2259 -203460.9223 2647.5887 0.0000 0.0000 52412.5018 -109261.6607 301.2154 -161674.1625 -108890.9759 300.1605 -38.8007 -14.1032 761134.3795 -5.5917 -5.5007 PRESSURE: 3345200 -215.001 254.69 62.9055 254.689 -15.7434 -17.5177 62.9053 -17.5183 234.626 GPRESSURE: 3345200 -78.4486 113.212 14.541 235.256 -100.178 -165.218 153.122 -21.7261 261.557 PRESSAVG: 3345200 46.8617 -40.2905 -29.7795 -40.2905 -38.0657 -4.45864 -29.7795 -4.45859 -10.3383 GPRESSAVG: 3345200 48.9373 -39.0926 -29.6658 -42.6957 -39.5308 -3.95911 -29.5549 -5.70326 -10.953 TIMING: 3345200 CPU: 10628.1, 0.0031125/step Wall: 10628.1, 0.0031125/step, 1.43071 hours remaining, 235.355469 MB of memory in use. ENERGY: 3345200 3883.7549 20415.0856 14522.6211 240.9304 -203344.0415 2587.6283 0.0000 0.0000 52393.5099 -109300.5112 301.1062 -161694.0211 -108925.5345 299.9226 1.2938 27.6437 760518.3770 -0.5141 -0.5155 PRESSURE: 3345400 -49.7521 2.76501 10.0995 2.76516 54.773 31.5266 10.0991 31.5263 -402.498 GPRESSURE: 3345400 -0.109324 -7.53453 -29.8446 -87.2124 46.1958 64.6948 -21.0795 53.4698 -359.138 PRESSAVG: 3345400 49.4113 -4.08388 -9.12152 -4.08394 -5.27272 -23.4575 -9.1215 -23.4575 9.53001 GPRESSAVG: 3345400 48.5139 -2.84722 -9.60215 -5.95831 -4.78648 -24.5073 -7.37686 -24.4818 10.2394 TIMING: 3345400 CPU: 10628.7, 0.00311615/step Wall: 10628.7, 0.00311615/step, 1.43222 hours remaining, 235.355469 MB of memory in use. ENERGY: 3345400 4051.8852 20604.8586 14480.5897 263.6467 -203651.9263 2568.9476 0.0000 0.0000 52261.1185 -109420.8800 300.3454 -161681.9984 -109054.4108 299.7681 -132.4923 -104.3506 759654.0419 17.8895 17.9889 PRESSURE: 3345600 434.829 -75.637 -152.093 -75.6363 20.8821 82.3417 -152.094 82.343 -132.329 GPRESSURE: 3345600 427.392 58.7575 -112.03 -171.377 98.7091 129.247 -281.861 11.6083 -108.22 PRESSAVG: 3345600 41.2304 4.65075 16.499 4.65079 -26.9656 -52.3257 16.499 -52.3257 11.9562 GPRESSAVG: 3345600 40.4843 2.22595 18.5012 6.59098 -26.7105 -50.7781 14.6244 -51.2357 12.4162 TIMING: 3345600 CPU: 10629.3, 0.00312586/step Wall: 10629.3, 0.00312586/step, 1.43651 hours remaining, 235.609375 MB of memory in use. ENERGY: 3345600 4017.7666 20766.8991 14435.2044 238.5465 -203395.6237 2555.7868 0.0000 0.0000 52020.8888 -109360.5315 298.9648 -161381.4203 -109002.9943 299.3585 107.7939 139.2937 761206.3816 8.7404 8.7300 PRESSURE: 3345800 -74.9597 -45.3412 37.3634 -45.341 -116.555 109.775 37.3628 109.777 -204.389 GPRESSURE: 3345800 1.52526 -61.7826 21.4066 -41.5861 -36.5546 56.1652 -32.879 131.298 -266.555 PRESSAVG: 3345800 -32.4466 -45.3728 17.873 -45.3728 -2.21052 5.68225 17.873 5.68231 3.26158 GPRESSAVG: 3345800 -31.1151 -44.6176 16.5088 -44.7189 -2.66421 4.93393 18.1716 3.00427 2.12734 TIMING: 3345800 CPU: 10629.9, 0.00314267/step Wall: 10629.9, 0.00314267/step, 1.44405 hours remaining, 235.609375 MB of memory in use. ENERGY: 3345800 4025.2198 20585.8022 14522.1514 247.8382 -203223.6499 2397.6295 0.0000 0.0000 52119.3943 -109325.6145 299.5309 -161445.0089 -108967.2168 299.5808 -131.9681 -100.5281 762431.3455 -10.4652 -10.5507 PRESSURE: 3346000 -20.4156 -75.5698 92.4777 -75.5698 108.165 -65.5988 92.4786 -65.5996 -292.785 GPRESSURE: 3346000 -59.2519 -100.933 107.787 12.7868 75.361 -108.866 51.0554 28.7908 -127.528 PRESSAVG: 3346000 -11.3312 -11.2408 -56.4309 -11.2409 11.4064 -33.9099 -56.431 -33.9098 -1.08258 GPRESSAVG: 3346000 -11.4273 -10.7918 -56.4818 -12.1937 11.6699 -34.2984 -54.5714 -30.2425 -1.00445 TIMING: 3346000 CPU: 10630.6, 0.00311883/step Wall: 10630.6, 0.00311883/step, 1.43293 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3346000 4060.1719 20478.7911 14407.8407 264.6930 -203648.6437 2609.3567 0.0000 0.0000 52565.7001 -109262.0901 302.0958 -161827.7902 -108891.3258 299.9312 -68.3453 -37.1398 762013.6664 -0.3358 -0.2539 PRESSURE: 3346200 -223.222 122.431 106.284 122.431 -116.224 133.513 106.283 133.512 -162.412 GPRESSURE: 3346200 -187.18 162.177 44.3563 -37.8643 -45.309 154.619 29.6115 51.6671 -178.438 PRESSAVG: 3346200 19.3855 -11.4158 -24.9151 -11.4158 -26.9614 2.44202 -24.9152 2.44203 -10.7399 GPRESSAVG: 3346200 19.4439 -12.7311 -24.6728 -12.7095 -26.2454 2.88986 -24.8488 0.468983 -11.2145 TIMING: 3346200 CPU: 10631.2, 0.00311088/step Wall: 10631.2, 0.00311088/step, 1.4291 hours remaining, 235.949219 MB of memory in use. ENERGY: 3346200 3937.9047 20580.2338 14547.8459 263.1600 -203284.0042 2372.5484 0.0000 0.0000 52187.3332 -109394.9781 299.9213 -161582.3114 -109037.1339 300.1544 -167.2861 -136.9759 762490.0915 -6.1052 -6.0053 PRESSURE: 3346400 -28.7611 -37.1737 155.752 -37.1743 -261.011 -230.667 155.752 -230.667 -142.105 GPRESSURE: 3346400 -46.4232 -95.0941 135.208 -37.4887 -212.79 -113.287 122.9 -172.93 -86.0029 PRESSAVG: 3346400 56.9947 9.90835 36.0225 9.90838 -80.5036 -6.62037 36.0225 -6.62038 9.30552 GPRESSAVG: 3346400 56.5316 9.64385 36.88 12.8175 -80.8935 -7.38596 33.6154 -6.33125 10.4967 TIMING: 3346400 CPU: 10631.8, 0.0031209/step Wall: 10631.8, 0.0031209/step, 1.43353 hours remaining, 235.949219 MB of memory in use. ENERGY: 3346400 4062.1588 20497.5188 14456.7238 227.2926 -203520.2260 2529.4066 0.0000 0.0000 52464.7192 -109282.4063 301.5155 -161747.1255 -108920.9502 299.3631 -143.9589 -115.0720 763938.4828 -4.7345 -4.6217 PRESSURE: 3346600 -247.055 -216.153 -197.061 -216.154 -126.115 63.2446 -197.061 63.2445 207.856 GPRESSURE: 3346600 -188.064 -139.715 -155.957 -314.94 -33.7055 29.607 -201.271 68.8874 170.784 PRESSAVG: 3346600 20.8642 4.92194 18.589 4.92202 -37.6268 -43.0902 18.5889 -43.0902 3.84168 GPRESSAVG: 3346600 21.2022 7.0671 17.3183 2.73613 -37.1973 -41.0779 20.9685 -43.0477 3.45772 TIMING: 3346600 CPU: 10632.4, 0.00312286/step Wall: 10632.4, 0.00312286/step, 1.43426 hours remaining, 235.949219 MB of memory in use. ENERGY: 3346600 4045.5766 20642.3126 14390.3455 229.5574 -203336.5438 2533.5564 0.0000 0.0000 52299.1352 -109196.0601 300.5638 -161495.1953 -108830.5145 300.3447 -55.1050 -16.9951 761007.8127 -4.3070 -4.1791 PRESSURE: 3346800 -115.692 -47.0478 318.21 -47.0477 97.2202 10.3433 318.209 10.3427 -147.066 GPRESSURE: 3346800 88.2235 -15.9044 372.219 72.1071 39.3481 69.0294 285.329 -19.8891 -201.235 PRESSAVG: 3346800 94.059 13.5051 19.0084 13.5051 -82.7485 -31.8013 19.0084 -31.8014 3.17054 GPRESSAVG: 3346800 93.6757 11.978 18.431 11.9557 -81.5006 -31.6944 17.7593 -31.1495 2.95614 TIMING: 3346800 CPU: 10633.1, 0.00313873/step Wall: 10633.1, 0.00313873/step, 1.44138 hours remaining, 235.949219 MB of memory in use. ENERGY: 3346800 3996.4790 20474.2932 14479.8162 273.1606 -203457.7848 2591.7957 0.0000 0.0000 52247.8692 -109394.3710 300.2692 -161642.2402 -109030.6939 299.7459 -55.1792 -24.5544 761164.6097 4.8270 5.0437 PRESSURE: 3347000 41.7927 -192.864 -134.648 -192.863 333.909 179.882 -134.647 179.883 244.978 GPRESSURE: 3347000 82.2355 -238.292 -86.9131 -238.981 332.133 177.494 -134.144 48.0245 284.838 PRESSAVG: 3347000 -12.8559 23.8256 -0.442249 23.8256 -7.78991 30.4457 -0.442229 30.4458 22.4496 GPRESSAVG: 3347000 -11.9324 23.064 1.19087 23.8155 -9.04972 28.9389 -0.928577 29.9577 22.824 TIMING: 3347000 CPU: 10633.7, 0.00314427/step Wall: 10633.7, 0.00314427/step, 1.44375 hours remaining, 235.949219 MB of memory in use. ENERGY: 3347000 4010.5858 20542.0225 14462.5019 223.1112 -203542.0967 2494.4093 0.0000 0.0000 52500.5913 -109308.8746 301.7216 -161809.4659 -108938.9282 299.5303 206.8930 233.0687 761436.8696 0.6013 0.6139 PRESSURE: 3347200 471.59 104.481 130.357 104.482 -26.6368 18.7409 130.358 18.7414 22.8064 GPRESSURE: 3347200 477.407 185.193 190.313 195.121 17.1627 66.8621 143.851 107.534 66.663 PRESSAVG: 3347200 52.6243 11.1588 14.6127 11.1588 -54.0377 32.0063 14.6127 32.0063 8.47178 GPRESSAVG: 3347200 53.2466 11.6218 12.3164 13.0296 -54.8696 32.1856 14.9696 32.8452 8.66251 TIMING: 3347200 CPU: 10634.3, 0.00312618/step Wall: 10634.3, 0.00312618/step, 1.43526 hours remaining, 235.949219 MB of memory in use. ENERGY: 3347200 4038.5407 20420.2175 14434.4787 236.4425 -203442.8615 2763.7346 0.0000 0.0000 51994.8685 -109554.5790 298.8152 -161549.4475 -109187.3824 299.3752 155.9199 187.0777 763065.0812 2.3528 2.3465 PRESSURE: 3347400 -80.906 6.31224 -117.83 6.31168 225.625 -163.059 -117.829 -163.059 -174.101 GPRESSURE: 3347400 18.1981 28.5794 -148.301 8.41327 204.442 -104.394 -74.9206 -175.097 -160.057 PRESSAVG: 3347400 37.9856 -14.3143 1.90368 -14.3143 -60.1199 -11.4216 1.90366 -11.4216 8.38051 GPRESSAVG: 3347400 39.1263 -14.9311 2.68244 -13.9706 -59.7911 -10.37 1.52414 -11.4309 7.02157 TIMING: 3347400 CPU: 10634.9, 0.00312989/step Wall: 10634.9, 0.00312989/step, 1.43679 hours remaining, 235.949219 MB of memory in use. ENERGY: 3347400 4015.7385 20582.2362 14437.8205 241.7838 -203553.4167 2589.4477 0.0000 0.0000 52034.8125 -109651.5775 299.0448 -161686.3900 -109291.3965 299.0561 -9.7939 20.8610 761194.1008 -4.5846 -4.5477 PRESSURE: 3347600 -114.547 -108.425 -12.5875 -108.423 -393.199 120.914 -12.5888 120.914 -434.363 GPRESSURE: 3347600 -167.292 12.4559 30.9902 -40.5825 -257.93 107.348 52.2254 36.5551 -420.739 PRESSAVG: 3347600 -4.70867 -38.3804 -54.1961 -38.3804 -17.1748 -49.645 -54.1961 -49.6451 16.9257 GPRESSAVG: 3347600 -7.53502 -37.6514 -55.2795 -36.6034 -15.3417 -49.8324 -52.0273 -50.2211 18.0237 TIMING: 3347600 CPU: 10635.6, 0.0031374/step Wall: 10635.6, 0.0031374/step, 1.44007 hours remaining, 235.949219 MB of memory in use. ENERGY: 3347600 4038.2345 20460.8150 14440.1780 245.2760 -203309.4886 2571.7362 0.0000 0.0000 51852.7458 -109700.5031 297.9984 -161553.2489 -109338.6952 298.7678 -314.0362 -281.9873 762430.8882 -1.6526 -1.6177 PRESSURE: 3347800 -238.987 -119.887 -108.916 -119.886 -151.1 -48.5778 -108.916 -48.5777 -699.123 GPRESSURE: 3347800 -174.261 -139.216 -124.914 -21.5536 -154.942 2.39734 -96.0896 -68.8218 -687.307 PRESSAVG: 3347800 10.7415 64.3184 -0.35643 64.3184 26.4499 -26.8244 -0.356379 -26.8243 -8.28674 GPRESSAVG: 3347800 11.4741 63.7911 2.09174 62.4919 26.8487 -27.3466 -2.98003 -26.4065 -9.74415 TIMING: 3347800 CPU: 10636.2, 0.0031264/step Wall: 10636.2, 0.0031264/step, 1.43484 hours remaining, 235.949219 MB of memory in use. ENERGY: 3347800 3942.8707 20591.7634 14352.9909 223.0506 -203109.1089 2274.3122 0.0000 0.0000 51824.2434 -109899.8776 297.8346 -161724.1210 -109526.5995 298.3791 -363.0699 -338.8367 762952.2055 9.6349 9.5262 PRESSURE: 3348000 -205.494 56.8468 -133.622 56.8462 -254.824 72.567 -133.623 72.5661 -212.332 GPRESSURE: 3348000 -137.819 -83.4602 -61.0479 48.5153 -284.2 101.769 -134.519 16.4842 -159.525 PRESSAVG: 3348000 -30.5222 -15.6447 18.39 -15.6447 19.3421 -36.0573 18.3901 -36.0573 -2.3343 GPRESSAVG: 3348000 -29.4656 -15.9288 18.5677 -14.5615 16.465 -37.3416 17.3539 -36.9165 -0.299054 TIMING: 3348000 CPU: 10636.8, 0.00314026/step Wall: 10636.8, 0.00314026/step, 1.44103 hours remaining, 235.949219 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: 3348000 4052.5023 20459.3445 14385.8973 223.5378 -203180.6237 2530.4223 0.0000 0.0000 51683.3582 -109845.5613 297.0250 -161528.9195 -109495.1016 298.1400 -224.2168 -193.8479 762495.3016 -4.5048 -4.4332 PRESSURE: 3348200 172.165 172.943 141.361 172.942 -126.165 -105.396 141.362 -105.395 147.253 GPRESSURE: 3348200 170.028 218.045 74.8961 108.063 -74.3232 -136.205 164.078 -156.207 178.488 PRESSAVG: 3348200 -8.70288 -4.69978 30.0281 -4.69977 2.1821 15.4571 30.0281 15.4572 10.8294 GPRESSAVG: 3348200 -9.61198 -0.963087 28.0746 -7.1737 3.45346 16.5027 33.6032 16.6383 10.6452 TIMING: 3348200 CPU: 10637.5, 0.00312639/step Wall: 10637.5, 0.00312639/step, 1.43449 hours remaining, 235.949219 MB of memory in use. ENERGY: 3348200 4003.9198 20548.8656 14410.8743 242.3794 -203841.0783 2613.2935 0.0000 0.0000 51891.7840 -110129.9616 298.2228 -162021.7455 -109773.8462 298.0695 64.4176 91.3976 760447.3551 1.4362 1.4956 LDB: ============= START OF LOAD BALANCING ============== 10649.9 LDB: ============== END OF LOAD BALANCING =============== 10649.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10649.9 LDB: ============= START OF LOAD BALANCING ============== 10650.2 LDB: Largest compute 7078 load 0.034765 is 17.8% of average load 0.195528 LDB: Average compute 0.004393 is 2.2% of average load 0.195528 LDB: TIME 10650.2 LOAD: AVG 0.195528 MAX 0.215885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.43 MB LDB: TIME 10650.2 LOAD: AVG 0.195528 MAX 0.215885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 10650.2 LOAD: AVG 0.195528 MAX 0.215885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 10650.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10650.2 PRESSURE: 3348400 63.2037 15.7389 88.25 15.7397 311.26 -176.567 88.2493 -176.566 198.027 GPRESSURE: 3348400 77.6571 -6.88254 49.2756 -37.4351 324.346 -203.897 93.0216 -89.0216 261.746 PRESSAVG: 3348400 6.25411 -7.2692 27.5735 -7.26922 -12.1018 12.0225 27.5736 12.0226 -19.8221 GPRESSAVG: 3348400 5.51393 -9.45028 29.1964 -5.57652 -11.2744 10.2743 26.1162 12.8577 -19.4725 TIMING: 3348400 CPU: 10638.1, 0.00318655/step Wall: 10638.1, 0.00318655/step, 1.46192 hours remaining, 234.320312 MB of memory in use. ENERGY: 3348400 3944.5947 20345.8129 14434.0128 236.4766 -203620.6868 2851.7293 0.0000 0.0000 52082.2227 -109725.8378 299.3172 -161808.0606 -109361.3472 298.1886 190.8300 221.2496 760430.5751 -8.5566 -8.4110 PRESSURE: 3348600 276.687 156.261 -26.7262 156.261 -128.593 55.705 -26.7258 55.7052 -3.4483 GPRESSURE: 3348600 248.14 88.0642 0.126385 162.034 -54.4605 26.7207 -103.332 73.8219 44.829 PRESSAVG: 3348600 0.538079 -61.3092 3.047 -61.3092 14.5982 21.7573 3.04696 21.7573 12.6552 GPRESSAVG: 3348600 0.854788 -61.9473 1.84003 -63.1938 14.5641 24.1514 2.75492 20.451 13.469 TIMING: 3348600 CPU: 10638.7, 0.00314975/step Wall: 10638.7, 0.00314975/step, 1.44486 hours remaining, 234.460938 MB of memory in use. ENERGY: 3348600 3942.5602 20504.8851 14354.4318 259.9311 -203584.3598 2775.6242 0.0000 0.0000 51985.8145 -109761.1129 298.7632 -161746.9274 -109388.1355 298.6002 48.2150 79.5029 760240.5431 9.2638 9.6293 PRESSURE: 3348800 -227.425 -47.7394 -271.572 -47.7395 -331.119 171.993 -271.573 171.993 403.124 GPRESSURE: 3348800 -170.302 7.49018 -155.217 -55.2789 -322.295 176.591 -247.141 206.331 422.836 PRESSAVG: 3348800 -35.7929 17.0833 -8.96842 17.0833 -24.6988 39.0599 -8.96841 39.0598 -18.5686 GPRESSAVG: 3348800 -34.8862 17.6093 -10.0177 18.7496 -24.7309 38.5381 -8.2628 38.5988 -18.9587 TIMING: 3348800 CPU: 10639.3, 0.00312766/step Wall: 10639.3, 0.00312766/step, 1.43455 hours remaining, 234.656250 MB of memory in use. ENERGY: 3348800 3963.2633 20535.7734 14437.6959 254.4005 -203457.3809 2670.1557 0.0000 0.0000 51864.8260 -109731.2661 298.0679 -161596.0922 -109376.1465 298.6657 -51.8063 -23.2538 759921.5927 -26.3534 -26.1919 PRESSURE: 3349000 -50.0619 111.219 46.2469 111.22 -119.287 34.0451 46.247 34.045 317.504 GPRESSURE: 3349000 62.8 21.004 -94.2513 130.133 -192.369 39.2383 128.264 127.865 364.49 PRESSAVG: 3349000 8.75234 1.78739 24.0749 1.78737 -7.40978 21.3127 24.0749 21.3127 22.4009 GPRESSAVG: 3349000 10.4073 1.04972 26.4957 3.73826 -9.60085 20.8998 22.6887 21.4956 23.1786 TIMING: 3349000 CPU: 10640, 0.00310562/step Wall: 10640, 0.00310562/step, 1.42427 hours remaining, 234.656250 MB of memory in use. ENERGY: 3349000 4066.5679 20655.1412 14447.8784 263.7565 -203427.2589 2459.0251 0.0000 0.0000 52030.2961 -109504.5938 299.0188 -161534.8899 -109138.7711 299.0218 49.3850 78.3069 760784.9402 7.9145 7.9950 PRESSURE: 3349200 37.4349 176.699 45.9156 176.699 -78.6361 -183.925 45.9145 -183.926 -117.351 GPRESSURE: 3349200 108.993 80.4301 93.1824 219.101 -94.1965 -126.066 -28.6898 -362.827 -101.023 PRESSAVG: 3349200 6.17912 29.1904 -35.4063 29.1905 37.7894 -28.1462 -35.4063 -28.1463 2.62931 GPRESSAVG: 3349200 5.15732 27.9453 -34.9968 28.2749 39.613 -28.6353 -36.7155 -27.5089 1.69238 TIMING: 3349200 CPU: 10640.6, 0.00311324/step Wall: 10640.6, 0.00311324/step, 1.42759 hours remaining, 234.656250 MB of memory in use. ENERGY: 3349200 4017.0900 20740.5631 14383.4755 249.6819 -203247.9755 2417.3028 0.0000 0.0000 52094.2591 -109345.6031 299.3864 -161439.8621 -108984.6776 299.7116 -52.8506 -28.7422 762288.2354 15.5326 15.4876 PRESSURE: 3349400 121.067 36.7526 71.3436 36.7526 101.5 87.9512 71.3441 87.9511 -33.0491 GPRESSURE: 3349400 146.997 -42.829 85.9933 86.5357 129.047 94.7506 -9.98223 -14.149 0.431695 PRESSAVG: 3349400 -50.6923 -23.5909 16.7483 -23.5909 24.6779 -44.308 16.7484 -44.3081 8.92518 GPRESSAVG: 3349400 -51.3005 -22.4989 16.1029 -23.9277 25.5682 -43.909 17.5714 -45.314 8.61269 TIMING: 3349400 CPU: 10641.2, 0.00311119/step Wall: 10641.2, 0.00311119/step, 1.42648 hours remaining, 234.656250 MB of memory in use. ENERGY: 3349400 3942.9249 20644.0258 14394.1329 244.2231 -203655.8620 2851.2843 0.0000 0.0000 52085.1326 -109494.1385 299.3340 -161579.2710 -109117.8775 299.4914 63.1725 92.1586 760762.2039 -5.6964 -5.7065 PRESSURE: 3349600 -321.31 22.2734 -60.4652 22.2725 -402.642 64.8335 -60.4641 64.8328 -316.304 GPRESSURE: 3349600 -292.08 135.595 18.6484 -1.47333 -300.462 53.6364 33.873 123.72 -342.539 PRESSAVG: 3349600 -5.9117 -0.329869 38.0651 -0.329878 32.0607 -41.6931 38.0651 -41.6932 -5.42247 GPRESSAVG: 3349600 -5.94597 -0.60603 36.4675 -2.34154 31.1371 -42.9886 38.1749 -39.9487 -3.82836 TIMING: 3349600 CPU: 10641.8, 0.00312935/step Wall: 10641.8, 0.00312935/step, 1.43464 hours remaining, 234.656250 MB of memory in use. ENERGY: 3349600 3987.4860 20639.4586 14392.4554 265.9870 -203079.3671 2255.1258 0.0000 0.0000 52189.4936 -109349.3608 299.9337 -161538.8544 -108989.5069 299.2394 -346.7519 -311.6936 761294.1487 6.9089 7.1209 PRESSURE: 3349800 204.668 20.3381 -127.902 20.339 321.776 -9.2609 -127.903 -9.26162 170.156 GPRESSURE: 3349800 236.1 75.6901 -83.6509 -46.4168 292.958 -23.0606 -13.6205 30.9453 263.255 PRESSAVG: 3349800 -15.7349 6.2153 -0.526598 6.21526 6.26645 -49.3796 -0.526649 -49.3796 12.8993 GPRESSAVG: 3349800 -15.3932 6.66561 0.542129 8.00077 7.3068 -47.9367 2.33269 -50.4738 11.8766 TIMING: 3349800 CPU: 10642.5, 0.00314351/step Wall: 10642.5, 0.00314351/step, 1.44095 hours remaining, 234.656250 MB of memory in use. ENERGY: 3349800 4037.6732 20679.8695 14546.3660 248.7726 -203177.6957 2572.2135 0.0000 0.0000 52017.9773 -109074.8236 298.9480 -161092.8008 -108718.0222 299.9580 232.2001 264.1043 761426.0326 1.1436 1.2634 PRESSURE: 3350000 233.743 197.683 177.805 197.682 248.448 -94.5808 177.805 -94.5808 -18.1299 GPRESSURE: 3350000 218.98 206.121 135.247 121.333 358.584 -75.5237 -19.0838 -82.2228 -44.3163 PRESSAVG: 3350000 -30.7433 5.41449 19.3463 5.41446 -8.77268 -77.4743 19.3463 -77.4743 4.6833 GPRESSAVG: 3350000 -29.8838 4.43087 19.0074 3.93878 -9.75311 -77.2499 18.322 -76.778 5.19318 TIMING: 3350000 CPU: 10643.1, 0.00314705/step Wall: 10643.1, 0.00314705/step, 1.4424 hours remaining, 234.656250 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: 3350000 3923.7245 20668.2517 14399.3118 242.5883 -203587.2101 2709.9789 0.0000 0.0000 52471.4567 -109171.8982 301.5542 -161643.3549 -108811.2134 299.7031 154.6872 177.7494 760083.6152 -11.6109 -11.4812 PRESSURE: 3350200 47.3592 12.1964 15.4575 12.1968 -20.9776 -31.7908 15.4573 -31.7914 -499.343 GPRESSURE: 3350200 70.9871 6.15307 -1.03473 44.0977 -4.62861 -51.0366 88.4466 -75.0638 -457.015 PRESSAVG: 3350200 2.81019 4.2853 36.3348 4.28534 47.367 -4.86033 36.3348 -4.86037 -7.91056 GPRESSAVG: 3350200 2.51346 6.45051 37.4563 4.19813 47.6358 -6.24513 35.6402 -4.59981 -8.22143 TIMING: 3350200 CPU: 10643.7, 0.00312397/step Wall: 10643.7, 0.00312397/step, 1.43165 hours remaining, 234.656250 MB of memory in use. ENERGY: 3350200 4016.8831 20605.9853 14431.6590 244.3397 -202789.3854 2307.2234 0.0000 0.0000 52241.4356 -108941.8592 300.2322 -161183.2948 -108582.3109 300.5453 -157.6539 -130.2189 761340.5898 14.0889 13.9760 PRESSURE: 3350400 107.895 -99.5655 41.6441 -99.5642 60.855 -30.2187 41.6441 -30.2186 233.169 GPRESSURE: 3350400 210.163 -164.902 -52.4221 -180.14 42.8052 -117.448 -2.34354 61.7982 264.837 PRESSAVG: 3350400 -41.9957 -8.06513 10.1654 -8.06514 17.7729 -3.04283 10.1654 -3.04287 8.22269 GPRESSAVG: 3350400 -41.6052 -10.0559 9.18607 -6.70038 17.8197 -3.18034 10.9526 -1.13677 7.96724 TIMING: 3350400 CPU: 10644.3, 0.00311467/step Wall: 10644.3, 0.00311467/step, 1.42721 hours remaining, 234.656250 MB of memory in use. ENERGY: 3350400 3893.0268 20673.2507 14476.0166 251.5164 -203272.5332 2517.3759 0.0000 0.0000 52356.8473 -109104.4994 300.8955 -161461.3467 -108742.6370 300.6628 133.9730 172.6020 760193.8929 -5.3334 -5.2728 PRESSURE: 3350600 169.937 -79.018 -121.679 -79.0182 -15.07 -145.073 -121.678 -145.073 179.938 GPRESSURE: 3350600 185.47 12.5082 -188.404 -35.163 87.1764 -164.298 -50.5764 -134.39 137.944 PRESSAVG: 3350600 -47.047 -10.1525 42.3662 -10.1525 12.3579 -32.0178 42.3662 -32.0177 17.9952 GPRESSAVG: 3350600 -46.2223 -9.66755 40.5036 -9.43835 12.0411 -30.3788 41.8077 -32.02 16.9377 TIMING: 3350600 CPU: 10645, 0.00312444/step Wall: 10645, 0.00312444/step, 1.43152 hours remaining, 234.656250 MB of memory in use. ENERGY: 3350600 4044.3438 20595.2982 14425.6169 247.6645 -203476.8399 2731.6235 0.0000 0.0000 52425.8568 -109006.4363 301.2921 -161432.2930 -108630.5419 300.6711 111.6017 136.8634 760742.6509 -5.5647 -5.7478 PRESSURE: 3350800 -166.033 15.3744 175.143 15.3748 81.9105 93.9904 175.144 93.9894 181.401 GPRESSURE: 3350800 -59.493 98.4434 155.581 -63.1308 90.2332 103.468 127.504 -124.479 165.517 PRESSAVG: 3350800 5.71627 22.2518 -3.92278 22.2517 12.9484 -33.0409 -3.92277 -33.0409 4.20208 GPRESSAVG: 3350800 5.12742 22.6353 -3.28887 21.8484 12.8752 -33.7253 -2.99768 -34.7792 5.65756 TIMING: 3350800 CPU: 10645.6, 0.00311961/step Wall: 10645.6, 0.00311961/step, 1.42913 hours remaining, 234.656250 MB of memory in use. ENERGY: 3350800 4025.2131 20599.0817 14449.8643 256.1483 -203165.2554 2481.9193 0.0000 0.0000 52321.5798 -109031.4490 300.6928 -161353.0288 -108664.4446 300.4779 32.4264 65.4189 759749.5205 7.6222 7.8867 PRESSURE: 3351000 36.1035 -104.526 235.484 -104.526 -11.3047 152.14 235.485 152.14 -208.885 GPRESSURE: 3351000 22.1826 -85.4364 249.924 41.6373 90.238 124.036 290.618 132.989 -197.394 PRESSAVG: 3351000 5.3401 -26.2833 29.9221 -26.2833 -23.9461 -58.0157 29.9222 -58.0157 -2.75475 GPRESSAVG: 3351000 3.64613 -27.7529 29.9305 -25.6264 -22.8361 -56.5833 29.6468 -57.9538 -2.13487 TIMING: 3351000 CPU: 10646.2, 0.0031241/step Wall: 10646.2, 0.0031241/step, 1.43101 hours remaining, 234.656250 MB of memory in use. ENERGY: 3351000 3996.3383 20649.4725 14505.5811 263.2663 -203149.2386 2325.0265 0.0000 0.0000 52274.8996 -109134.6543 300.4246 -161409.5539 -108764.8413 300.1439 -61.3622 -28.3246 758858.9008 -7.1202 -7.1083 PRESSURE: 3351200 -149.863 -85.7088 43.6164 -85.7087 358.556 -181.295 43.6165 -181.295 59.1315 GPRESSURE: 3351200 -71.3667 -17.5882 2.65643 -89.8719 391.211 -181.466 -13.1755 -61.6699 34.0727 PRESSAVG: 3351200 -22.5579 -15.3037 -50.6715 -15.3037 7.21384 -25.7639 -50.6715 -25.7639 -10.0115 GPRESSAVG: 3351200 -21.9794 -12.8904 -49.6061 -14.8373 7.58626 -27.0154 -50.8244 -23.7993 -10.6383 TIMING: 3351200 CPU: 10646.8, 0.00312555/step Wall: 10646.8, 0.00312555/step, 1.4315 hours remaining, 234.656250 MB of memory in use. ENERGY: 3351200 4013.9594 20600.8390 14478.2124 237.6981 -203406.1046 2727.1973 0.0000 0.0000 52048.5430 -109299.6554 299.1237 -161348.1985 -108924.4059 299.7709 89.2748 117.9724 759535.3027 -8.4519 -8.3438 PRESSURE: 3351400 -144.161 -85.6326 18.0987 -85.6334 332.042 141.648 18.0988 141.648 -15.1559 GPRESSURE: 3351400 54.174 -102.908 -4.80137 -27.2955 195.946 92.4455 62.3243 56.3507 -0.779381 PRESSAVG: 3351400 -32.1453 -17.2676 3.27566 -17.2676 25.4758 -3.39068 3.27567 -3.39068 8.83871 GPRESSAVG: 3351400 -31.3646 -17.9245 3.62139 -17.8807 23.8637 -3.66834 2.46177 -4.03324 9.75459 TIMING: 3351400 CPU: 10647.5, 0.00311477/step Wall: 10647.5, 0.00311477/step, 1.42639 hours remaining, 234.656250 MB of memory in use. ENERGY: 3351400 3993.5451 20517.5739 14475.1252 236.4471 -203641.4023 2871.4248 0.0000 0.0000 52190.5014 -109356.7847 299.9395 -161547.2861 -108994.9147 299.9459 57.5751 83.1135 759920.4932 0.7230 0.7512 PRESSURE: 3351600 54.939 -258.666 385.721 -258.665 214.065 -20.3794 385.721 -20.3801 156.749 GPRESSURE: 3351600 171.517 -252.015 298.162 -241.733 230.252 -3.51618 358.93 11.5301 103.511 PRESSAVG: 3351600 -47.7679 -53.8464 -2.81465 -53.8463 9.44597 -41.6398 -2.81467 -41.6398 -1.41661 GPRESSAVG: 3351600 -47.5436 -56.9267 -3.40473 -51.6375 9.18962 -41.1527 -4.04802 -42.4637 -1.26883 TIMING: 3351600 CPU: 10648.1, 0.00311894/step Wall: 10648.1, 0.00311894/step, 1.42813 hours remaining, 234.656250 MB of memory in use. ENERGY: 3351600 3938.5453 20433.4521 14416.4847 234.2577 -203250.6549 2622.7058 0.0000 0.0000 52267.1009 -109338.1085 300.3797 -161605.2094 -108972.9735 299.4610 141.9174 168.4267 761911.3764 -13.2462 -13.2076 PRESSURE: 3351800 126.55 108.767 96.4419 108.768 -44.2223 -16.8786 96.4419 -16.8779 413.401 GPRESSURE: 3351800 61.3984 7.93931 24.4745 69.7474 93.2883 35.2733 176.111 -67.9568 414.843 PRESSAVG: 3351800 -32.7253 -53.9936 28.4615 -53.9936 2.16525 2.8378 28.4616 2.83774 -13.9044 GPRESSAVG: 3351800 -33.0874 -51.2555 28.3308 -57.8593 2.77014 3.61996 31.18 0.550729 -13.759 TIMING: 3351800 CPU: 10648.7, 0.00312765/step Wall: 10648.7, 0.00312765/step, 1.43194 hours remaining, 234.656250 MB of memory in use. ENERGY: 3351800 3945.6979 20464.8357 14453.7602 218.0106 -203538.9199 2774.0821 0.0000 0.0000 52305.2494 -109377.2839 300.5990 -161682.5333 -109015.8312 299.2442 165.2429 189.8431 762547.4105 -14.8215 -14.6921 PRESSURE: 3352000 6.21823 -107.247 -24.3018 -107.248 74.0523 -218.21 -24.3016 -218.209 -483.2 GPRESSURE: 3352000 128.564 -17.7443 -72.5572 -72.0262 65.9164 -250.984 -36.9738 -192.514 -495.206 PRESSAVG: 3352000 -37.7879 -34.9919 -3.4224 -34.992 28.2454 -17.6688 -3.42236 -17.6688 9.24122 GPRESSAVG: 3352000 -37.6081 -33.672 -4.60922 -31.8553 28.3699 -17.322 -5.55259 -16.3643 8.95415 TIMING: 3352000 CPU: 10649.3, 0.00313045/step Wall: 10649.3, 0.00313045/step, 1.43305 hours remaining, 234.656250 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: 3352000 4125.1186 20471.2957 14488.2161 251.5596 -203520.7267 2831.9801 0.0000 0.0000 52157.5507 -109195.0058 299.7502 -161352.5565 -108833.2169 300.0615 -134.3098 -100.2420 762839.6412 -0.1004 -0.0947 PRESSURE: 3352200 41.3312 104.804 -11.1079 104.805 299.72 -46.6793 -11.1083 -46.6792 -176.811 GPRESSURE: 3352200 181.133 17.8452 -83.9361 250.557 281.986 -51.0705 25.0152 -92.3992 -209.26 PRESSAVG: 3352200 -63.9655 -14.704 -29.0525 -14.704 93.0989 -44.4467 -29.0525 -44.4467 -7.26179 GPRESSAVG: 3352200 -64.7607 -15.6188 -27.6598 -13.7787 93.4318 -44.3346 -28.0234 -45.6187 -6.93005 TIMING: 3352200 CPU: 10650, 0.00311617/step Wall: 10650, 0.00311617/step, 1.42634 hours remaining, 234.656250 MB of memory in use. ENERGY: 3352200 3999.9391 20489.9653 14495.4998 253.3389 -203338.4181 2561.4787 0.0000 0.0000 52197.5484 -109340.6479 299.9800 -161538.1963 -108978.5902 299.4282 54.7470 84.6193 760815.6793 7.2905 7.2470 LDB: ============= START OF LOAD BALANCING ============== 10662.4 LDB: ============== END OF LOAD BALANCING =============== 10662.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10662.4 LDB: ============= START OF LOAD BALANCING ============== 10662.7 LDB: Largest compute 7078 load 0.032641 is 16.7% of average load 0.195526 LDB: Average compute 0.004401 is 2.3% of average load 0.195526 LDB: TIME 10662.7 LOAD: AVG 0.195526 MAX 0.221662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 10662.7 LOAD: AVG 0.195526 MAX 0.221662 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 10662.7 LOAD: AVG 0.195526 MAX 0.218066 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 10662.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10662.7 PRESSURE: 3352400 -89.3396 -56.5781 -59.7731 -56.5784 -265.992 30.2042 -59.7729 30.2044 158.017 GPRESSURE: 3352400 13.59 -74.463 -59.2614 -146.815 -170.209 30.0265 21.2482 173.517 63.9588 PRESSAVG: 3352400 -4.7415 21.3542 -5.37633 21.3542 37.2838 12.7758 -5.37632 12.7758 -11.9167 GPRESSAVG: 3352400 -4.52126 20.3491 -4.85112 21.5476 37.7773 12.4676 -4.68818 14.5192 -13.0256 TIMING: 3352400 CPU: 10650.6, 0.00319901/step Wall: 10650.6, 0.00319901/step, 1.46408 hours remaining, 234.386719 MB of memory in use. ENERGY: 3352400 4120.6816 20457.8046 14524.7631 238.7346 -203389.4014 2664.2156 0.0000 0.0000 52092.5128 -109290.6890 299.3764 -161383.2019 -108934.8976 299.4192 -65.7717 -30.8867 761163.1755 6.8752 6.7435 PRESSURE: 3352600 107.855 -80.056 140.849 -80.0567 32.2265 -141.31 140.849 -141.309 265.876 GPRESSURE: 3352600 164.775 -92.9908 260.545 -54.7867 40.9358 -102.387 49.0724 -84.0344 272.319 PRESSAVG: 3352600 -43.8868 -11.4078 5.32315 -11.4078 80.0021 -32.7123 5.32318 -32.7123 15.9652 GPRESSAVG: 3352600 -43.129 -10.1323 4.49079 -12.4111 79.2394 -33.7629 6.07355 -32.888 15.3288 TIMING: 3352600 CPU: 10651.2, 0.00312342/step Wall: 10651.2, 0.00312342/step, 1.42931 hours remaining, 234.386719 MB of memory in use. ENERGY: 3352600 4007.7362 20605.2883 14478.2192 250.9660 -203313.3273 2724.6654 0.0000 0.0000 52097.7333 -109148.7190 299.4064 -161246.4523 -108783.6669 299.6121 135.3193 159.3435 761402.1332 17.3602 17.1464 PRESSURE: 3352800 -253.172 -195.366 -134.021 -195.365 -3.41302 104.465 -134.021 104.465 -136.415 GPRESSURE: 3352800 -190.699 -291.229 -252.358 -28.0085 0.85482 131.55 -173.504 13.0792 -142.326 PRESSAVG: 3352800 -31.4991 -8.00108 -3.42025 -8.00103 36.0838 -23.3212 -3.42024 -23.3211 -4.42006 GPRESSAVG: 3352800 -32.976 -7.36037 -4.07293 -8.79225 36.4622 -23.3705 -3.76121 -24.5119 -3.55087 TIMING: 3352800 CPU: 10651.9, 0.00313957/step Wall: 10651.9, 0.00313957/step, 1.43653 hours remaining, 234.386719 MB of memory in use. ENERGY: 3352800 4062.9431 20536.1543 14390.0570 251.4587 -203320.6471 2578.6386 0.0000 0.0000 52354.4435 -109146.9519 300.8817 -161501.3954 -108792.7969 299.8251 -131.0001 -110.7234 762772.4548 0.0549 -0.0216 PRESSURE: 3353000 -263.338 66.0963 -15.8562 66.0966 -321.234 -9.83791 -15.8564 -9.83756 -219.736 GPRESSURE: 3353000 -137.77 68.4505 -41.885 59.0769 -405.728 -26.3688 217.154 122.39 -159.287 PRESSAVG: 3353000 -19.9772 54.1672 35.0664 54.1672 23.4873 -11.9647 35.0664 -11.9647 9.56708 GPRESSAVG: 3353000 -18.3815 52.521 35.2959 54.3339 22.0211 -11.6947 34.9573 -11.1065 9.62295 TIMING: 3353000 CPU: 10652.5, 0.00311658/step Wall: 10652.5, 0.00311658/step, 1.42583 hours remaining, 234.386719 MB of memory in use. ENERGY: 3353000 4009.4746 20596.2383 14487.0165 266.1048 -202743.5601 2293.2771 0.0000 0.0000 51915.2133 -109176.2354 298.3574 -161091.4487 -108813.7721 300.1695 -268.1029 -234.2615 761494.9078 4.3591 4.4209 PRESSURE: 3353200 -72.1601 121.005 -41.4521 121.005 151.848 30.0653 -41.4517 30.065 -47.88 GPRESSURE: 3353200 -66.074 87.5345 11.6366 -78.8265 288.94 73.4779 13.8873 -6.11725 -94.2508 PRESSAVG: 3353200 4.64654 -29.2922 43.4409 -29.2922 -28.6094 7.72778 43.4409 7.7278 -11.7911 GPRESSAVG: 3353200 4.05178 -27.154 45.5038 -31.818 -27.632 5.63841 42.086 7.71574 -12.2088 TIMING: 3353200 CPU: 10653.1, 0.00312559/step Wall: 10653.1, 0.00312559/step, 1.42978 hours remaining, 234.386719 MB of memory in use. ENERGY: 3353200 4045.9930 20433.9772 14523.2626 249.0347 -203247.7919 2571.1923 0.0000 0.0000 52544.1041 -108880.2279 301.9717 -161424.3320 -108517.7324 300.6843 10.6026 42.8718 761948.5988 -11.9180 -11.9297 PRESSURE: 3353400 228.779 237.917 145.007 237.917 31.8548 -24.0696 145.007 -24.0701 362.041 GPRESSURE: 3353400 260.597 132.139 56.7607 157.603 73.8025 -49.1586 215.602 36.903 372.394 PRESSAVG: 3353400 -19.2117 -8.68767 35.4027 -8.68767 68.8645 54.7082 35.4026 54.7082 1.84576 GPRESSAVG: 3353400 -19.2845 -10.8526 34.1129 -3.5924 67.655 57.3845 35.0479 54.2299 2.88252 TIMING: 3353400 CPU: 10653.7, 0.00314554/step Wall: 10653.7, 0.00314554/step, 1.43873 hours remaining, 234.386719 MB of memory in use. ENERGY: 3353400 3981.7746 20631.8809 14429.9208 244.5118 -203475.5851 2731.7733 0.0000 0.0000 52478.7475 -108976.9762 301.5961 -161455.7238 -108608.4072 301.3788 207.5583 235.5978 758231.3445 17.1662 17.0843 PRESSURE: 3353600 -112.049 42.6746 62.7725 42.675 -161.955 -159.576 62.7717 -159.576 47.0003 GPRESSURE: 3353600 8.177 -13.2024 13.9273 72.901 -99.5983 -97.8578 116.627 -69.4001 -49.4667 PRESSAVG: 3353600 -32.6295 23.5592 -16.4438 23.5593 19.5341 6.83276 -16.4438 6.83277 1.80169 GPRESSAVG: 3353600 -33.4258 24.1577 -17.3336 21.2551 19.7627 5.78358 -15.0669 6.9643 2.23244 TIMING: 3353600 CPU: 10654.4, 0.00312716/step Wall: 10654.4, 0.00312716/step, 1.43015 hours remaining, 234.386719 MB of memory in use. ENERGY: 3353600 4109.2225 20617.1981 14499.9472 237.8753 -203184.6251 2508.6682 0.0000 0.0000 52156.5634 -109055.1503 299.7445 -161211.7138 -108695.1198 300.8566 -75.6679 -46.9627 759933.0554 -3.7646 -3.8102 PRESSURE: 3353800 206.084 -121.878 -4.69173 -121.879 295.229 113.955 -4.69149 113.955 633.429 GPRESSURE: 3353800 147.34 -25.0467 73.4352 -153.142 390.748 147.275 11.2217 19.1643 678.338 PRESSAVG: 3353800 -17.0607 7.6302 4.68633 7.63018 28.8154 -21.2619 4.68638 -21.262 -25.242 GPRESSAVG: 3353800 -17.129 7.19246 6.8547 7.30721 29.4609 -22.5938 4.24642 -22.5492 -25.7942 TIMING: 3353800 CPU: 10655, 0.00311687/step Wall: 10655, 0.00311687/step, 1.42528 hours remaining, 234.386719 MB of memory in use. ENERGY: 3353800 3938.6031 20539.6501 14533.7142 238.7870 -203180.2009 2763.5791 0.0000 0.0000 52113.2741 -109052.5934 299.4957 -161165.8675 -108707.3594 300.6868 378.2476 405.4752 759210.8505 -4.4958 -4.4874 PRESSURE: 3354000 35.8355 -13.4346 252.312 -13.4346 -239.232 -161.991 252.312 -161.991 -181.923 GPRESSURE: 3354000 23.1721 93.227 236.776 0.852744 -154.249 -162.204 165.828 -20.2183 -181.713 PRESSAVG: 3354000 39.8891 17.3978 50.17 17.3978 -51.3986 -7.36056 50.1699 -7.36059 -0.497204 GPRESSAVG: 3354000 40.7842 17.1219 48.9309 18.6689 -51.4545 -6.44847 48.8036 -7.63915 -1.231 TIMING: 3354000 CPU: 10655.6, 0.00312088/step Wall: 10655.6, 0.00312088/step, 1.42694 hours remaining, 234.386719 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: 3354000 4028.9273 20524.3931 14452.2219 239.5048 -203283.9920 2633.7162 0.0000 0.0000 52463.5176 -108941.7110 301.5086 -161405.2286 -108577.1249 300.3857 -128.4398 -104.2632 762237.5215 -4.0022 -3.9671 PRESSURE: 3354200 10.992 -10.5758 -119.285 -10.5767 -47.0894 18.0672 -119.284 18.0667 148.622 GPRESSURE: 3354200 126.641 -39.8736 -144.652 -175.267 -51.1008 22.0143 -193.38 192.215 136.298 PRESSAVG: 3354200 26.2725 33.6656 -11.965 33.6655 -15.1062 27.0663 -11.9651 27.0663 -6.71384 GPRESSAVG: 3354200 26.5703 32.8855 -11.8848 34.2469 -15.563 27.7517 -10.5594 27.9239 -6.14637 TIMING: 3354200 CPU: 10656.2, 0.00312696/step Wall: 10656.2, 0.00312696/step, 1.42954 hours remaining, 234.386719 MB of memory in use. ENERGY: 3354200 3946.8800 20697.2365 14514.1177 235.3532 -202785.3153 2190.6157 0.0000 0.0000 52406.4719 -108794.6403 301.1807 -161201.1122 -108424.5444 300.6584 37.5081 70.6129 760329.5345 1.4841 1.6203 PRESSURE: 3354400 -284.067 -57.8625 -88.0903 -57.8625 -188.652 167.115 -88.0897 167.114 9.68003 GPRESSURE: 3354400 -213.868 -89.8968 -47.405 -20.6957 -232.031 9.82127 -47.8604 177.069 56.3123 PRESSAVG: 3354400 -27.8838 61.2523 -20.4229 61.2523 25.9562 24.7392 -20.4229 24.7393 -19.1405 GPRESSAVG: 3354400 -28.7665 61.1098 -20.1101 60.97 25.9258 24.0738 -20.0919 24.2637 -18.4581 TIMING: 3354400 CPU: 10656.9, 0.00312836/step Wall: 10656.9, 0.00312836/step, 1.43001 hours remaining, 234.386719 MB of memory in use. ENERGY: 3354400 3989.2292 20661.8664 14587.1123 232.8326 -203278.2766 2715.0119 0.0000 0.0000 52111.4752 -108980.7491 299.4854 -161092.2243 -108615.0674 301.1275 -154.3463 -129.8620 760998.3944 -7.0227 -7.0996 PRESSURE: 3354600 234.889 -103.696 129.498 -103.696 -220.085 -168.948 129.497 -168.948 11.2811 GPRESSURE: 3354600 232.684 -170.126 137.149 74.8462 -121.714 -153.985 111.898 -178.949 -15.9576 PRESSAVG: 3354600 30.6237 13.6139 31.5525 13.6139 -88.6117 -33.2398 31.5525 -33.2398 25.5814 GPRESSAVG: 3354600 30.9616 12.8093 29.9819 14.6115 -88.0695 -33.1566 30.692 -34.3031 25.2253 TIMING: 3354600 CPU: 10657.5, 0.00313906/step Wall: 10657.5, 0.00313906/step, 1.43472 hours remaining, 234.386719 MB of memory in use. ENERGY: 3354600 4067.7309 20500.4743 14438.7834 251.4087 -203138.8678 2479.8389 0.0000 0.0000 52326.6153 -109074.0163 300.7218 -161400.6316 -108706.2146 300.0377 8.6950 31.6707 760573.6409 -10.8022 -10.6275 PRESSURE: 3354800 469.12 3.6454 24.2051 3.64527 253.174 13.794 24.2059 13.7936 -73.7602 GPRESSURE: 3354800 404.648 65.0244 -20.0977 60.0952 323.419 -17.1893 -19.28 113.928 -3.81289 PRESSAVG: 3354800 36.4566 68.5793 -5.59831 68.5794 -12.4783 -11.0264 -5.59828 -11.0264 4.30375 GPRESSAVG: 3354800 36.139 72.2838 -4.2726 67.3304 -11.4526 -10.6209 -4.78479 -11.3964 2.87508 TIMING: 3354800 CPU: 10658.1, 0.00311871/step Wall: 10658.1, 0.00311871/step, 1.42525 hours remaining, 234.386719 MB of memory in use. ENERGY: 3354800 3896.1978 20662.6322 14441.7221 249.9489 -203253.8645 2470.8317 0.0000 0.0000 52469.2972 -109063.2346 301.5418 -161532.5318 -108696.1022 300.2419 216.1780 241.4178 760403.9186 9.4273 9.1872 PRESSURE: 3355000 -397.841 39.2035 -190.727 39.2039 -78.4319 -37.5125 -190.727 -37.5127 -20.1725 GPRESSURE: 3355000 -391.973 87.5717 -182.747 127.077 -74.9067 -122.769 -128.385 94.3507 59.9026 PRESSAVG: 3355000 -18.9883 52.8409 -27.2031 52.8409 20.9624 -35.9268 -27.2031 -35.9268 0.740038 GPRESSAVG: 3355000 -18.5776 52.0063 -27.9025 52.5287 19.8653 -35.134 -27.3876 -35.1094 1.46638 TIMING: 3355000 CPU: 10658.7, 0.0031073/step Wall: 10658.7, 0.0031073/step, 1.41986 hours remaining, 234.386719 MB of memory in use. ENERGY: 3355000 4040.6986 20477.2668 14491.4123 244.8322 -202817.1907 2281.9734 0.0000 0.0000 52398.6165 -108882.3908 301.1356 -161281.0073 -108510.1894 300.7948 -165.4817 -135.6591 761951.3228 0.9047 0.9180 PRESSURE: 3355200 13.4556 -79.3234 60.5292 -79.3234 -78.6442 -182.524 60.529 -182.525 -385.632 GPRESSURE: 3355200 35.8356 9.20595 21.1846 -50.8076 -81.1823 -93.0566 102.22 -148.97 -307.186 PRESSAVG: 3355200 -28.4575 77.2809 -20.8245 77.2808 9.31331 -27.0381 -20.8246 -27.0381 18.5228 GPRESSAVG: 3355200 -26.9099 76.1771 -21.4708 79.5781 8.37309 -27.2782 -20.1237 -27.504 18.5394 TIMING: 3355200 CPU: 10659.4, 0.00313311/step Wall: 10659.4, 0.00313311/step, 1.43148 hours remaining, 234.386719 MB of memory in use. ENERGY: 3355200 4023.4166 20630.3312 14437.3383 239.2802 -203057.2079 2375.6304 0.0000 0.0000 52525.4356 -108825.7757 301.8644 -161351.2113 -108454.9238 300.8703 -150.2734 -117.5110 761251.3129 -0.2071 0.0009 PRESSURE: 3355400 -356.378 121.641 -26.6476 121.641 -223.115 11.792 -26.6473 11.7914 -103.069 GPRESSURE: 3355400 -350.696 136.652 -31.4187 199.232 -201.039 -14.0073 16.874 196.495 -70.8826 PRESSAVG: 3355400 22.8635 18.9486 6.16098 18.9486 -44.7695 33.0875 6.161 33.0875 -0.0440532 GPRESSAVG: 3355400 21.2143 17.8938 6.24225 18.2254 -44.0285 32.3036 5.501 34.6099 0.153037 TIMING: 3355400 CPU: 10660, 0.00313067/step Wall: 10660, 0.00313067/step, 1.4302 hours remaining, 234.386719 MB of memory in use. ENERGY: 3355400 3950.0246 20625.2768 14540.3187 243.2140 -203035.0437 2300.5205 0.0000 0.0000 52293.2681 -109082.4210 300.5301 -161375.6890 -108721.6355 300.9952 -227.5204 -207.5394 761892.5311 -7.3167 -7.5537 PRESSURE: 3355600 22.287 27.6877 152.458 27.687 -111.915 120.128 152.458 120.129 0.0860798 GPRESSURE: 3355600 62.1538 -6.92243 154.381 31.484 -46.7523 130.556 103.603 119.199 -18.2573 PRESSAVG: 3355600 42.3706 20.9529 66.5109 20.9529 -63.4875 -2.58325 66.5108 -2.58329 6.26767 GPRESSAVG: 3355600 42.7189 22.0975 66.008 20.3001 -63.3652 -1.81322 64.4337 -3.50872 5.63376 TIMING: 3355600 CPU: 10660.6, 0.00312786/step Wall: 10660.6, 0.00312786/step, 1.42874 hours remaining, 234.386719 MB of memory in use. ENERGY: 3355600 3966.1028 20489.3023 14504.1058 245.2576 -203101.2566 2626.9567 0.0000 0.0000 52274.2651 -108995.2665 300.4209 -161269.5315 -108624.4305 300.4621 -29.8473 -0.9519 761867.0010 -4.9497 -5.0042 PRESSURE: 3355800 -73.2258 34.906 15.6489 34.906 -243.169 -146.261 15.6484 -146.261 -253.834 GPRESSURE: 3355800 -97.3843 104.596 43.5013 77.4567 -128.927 -160.408 62.0907 -96.6894 -261.59 PRESSAVG: 3355800 43.259 20.5977 -33.7444 20.5977 -83.9277 21.2764 -33.7444 21.2765 -13.8017 GPRESSAVG: 3355800 42.9215 19.7043 -34.1862 21.6271 -84.2332 19.7343 -29.9584 22.8494 -13.6029 TIMING: 3355800 CPU: 10661.2, 0.00314603/step Wall: 10661.2, 0.00314603/step, 1.43686 hours remaining, 234.386719 MB of memory in use. ENERGY: 3355800 4038.2184 20480.2869 14566.7722 257.1341 -202906.1824 2465.0161 0.0000 0.0000 52442.4494 -108656.3052 301.3875 -161098.7546 -108297.8467 300.8159 -190.0763 -162.6339 762928.3768 -18.1568 -18.3049 PRESSURE: 3356000 -280.301 114.668 201.58 114.667 -329.62 13.8766 201.579 13.877 -42.2073 GPRESSURE: 3356000 -230.657 153.122 221.57 145.682 -287.8 -4.96908 77.4905 -11.2532 -34.5654 PRESSAVG: 3356000 19.7141 95.9276 44.3417 95.9275 -18.4577 -62.6828 44.3418 -62.6829 -7.94323 GPRESSAVG: 3356000 18.7223 97.4795 46.1843 93.203 -17.3478 -60.805 41.4459 -64.9523 -8.25906 TIMING: 3356000 CPU: 10661.9, 0.00313001/step Wall: 10661.9, 0.00313001/step, 1.42937 hours remaining, 234.386719 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: 3356000 4026.5828 20560.8549 14482.8467 251.9845 -202604.8703 2192.6443 0.0000 0.0000 52190.3222 -108899.6348 299.9385 -161089.9570 -108541.9197 300.7488 -217.3760 -184.3407 761982.2988 -2.2289 -2.2949 PRESSURE: 3356200 -230.675 132.303 103.356 132.302 55.9884 -114.501 103.357 -114.5 -23.0756 GPRESSURE: 3356200 -161.861 106.414 106.876 102.029 70.1712 -175.633 95.8425 -22.9923 -27.6666 PRESSAVG: 3356200 -13.2907 30.8272 34.8067 30.8273 -44.8176 1.29311 34.8067 1.2931 2.85289 GPRESSAVG: 3356200 -13.1126 31.086 33.3567 29.4983 -47.1434 -0.655865 36.1291 2.22953 4.8524 TIMING: 3356200 CPU: 10662.5, 0.00312769/step Wall: 10662.5, 0.00312769/step, 1.42814 hours remaining, 234.386719 MB of memory in use. ENERGY: 3356200 3937.2607 20430.0603 14501.7925 250.8930 -202916.5242 2542.5116 0.0000 0.0000 52412.3835 -108841.6226 301.2147 -161254.0062 -108480.0619 300.1739 -65.9209 -39.7856 762033.1008 -18.4185 -18.4679 LDB: ============= START OF LOAD BALANCING ============== 10674.9 LDB: ============== END OF LOAD BALANCING =============== 10674.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10674.9 LDB: ============= START OF LOAD BALANCING ============== 10675.2 LDB: Largest compute 7078 load 0.031046 is 15.9% of average load 0.195494 LDB: Average compute 0.004408 is 2.3% of average load 0.195494 LDB: TIME 10675.2 LOAD: AVG 0.195494 MAX 0.215937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.418 MB LDB: TIME 10675.2 LOAD: AVG 0.195494 MAX 0.215937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.418 MB LDB: TIME 10675.2 LOAD: AVG 0.195494 MAX 0.215937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.418 MB LDB: ============== END OF LOAD BALANCING =============== 10675.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10675.2 PRESSURE: 3356400 -198.735 -37.2663 125.785 -37.267 218.704 58.4963 125.785 58.4969 140.571 GPRESSURE: 3356400 -143.101 -39.3982 189.062 5.15607 325.69 78.6808 91.9216 -85.0344 64.4868 PRESSAVG: 3356400 -39.7454 17.8357 -6.66323 17.8357 55.0947 -46.5178 -6.66326 -46.5178 1.03529 GPRESSAVG: 3356400 -38.8865 17.7045 -5.85271 21.6776 55.8019 -44.4919 -5.91842 -47.784 -0.577204 TIMING: 3356400 CPU: 10663.1, 0.00319984/step Wall: 10663.1, 0.00319984/step, 1.4609 hours remaining, 234.117188 MB of memory in use. ENERGY: 3356400 3978.8507 20514.4868 14453.5669 256.7387 -202631.0000 2365.5855 0.0000 0.0000 52180.6393 -108881.1320 299.8829 -161061.7713 -108514.6977 300.3211 53.5130 82.3586 760380.0414 5.4615 5.4461 PRESSURE: 3356600 -170.46 93.4516 -77.3518 93.4516 20.4283 -211.316 -77.3522 -211.314 -270.233 GPRESSURE: 3356600 -142.817 107.437 -154.915 111.524 29.6897 -101.919 22.0489 -209.861 -242.942 PRESSAVG: 3356600 -12.1259 23.3923 6.98267 23.3924 37.2623 14.8528 6.98271 14.8528 32.8627 GPRESSAVG: 3356600 -13.4978 23.8033 6.30014 21.8078 36.2509 13.6061 5.86609 15.0541 34.675 TIMING: 3356600 CPU: 10663.8, 0.00311732/step Wall: 10663.8, 0.00311732/step, 1.42306 hours remaining, 234.320312 MB of memory in use. ENERGY: 3356600 3974.8229 20476.2906 14511.2106 233.3456 -203199.1502 2337.4786 0.0000 0.0000 52761.7454 -108904.2565 303.2225 -161666.0019 -108517.6772 300.5753 -140.0881 -118.6897 760334.3792 19.3330 19.1427 PRESSURE: 3356800 -215.65 118.584 22.6122 118.584 -385.735 41.7831 22.6119 41.7834 343.354 GPRESSURE: 3356800 -175.296 225.066 -68.8837 23.2127 -363.377 26.7583 1.40703 16.3807 369.322 PRESSAVG: 3356800 -12.7518 -2.74043 2.44727 -2.7405 36.2589 -32.6725 2.44728 -32.6725 -14.9514 GPRESSAVG: 3356800 -12.6698 -3.01573 2.51613 -1.52406 37.6785 -32.2134 2.29991 -32.2094 -16.7135 TIMING: 3356800 CPU: 10664.4, 0.00311586/step Wall: 10664.4, 0.00311586/step, 1.42222 hours remaining, 234.335938 MB of memory in use. ENERGY: 3356800 4005.5496 20504.8265 14468.1480 249.2099 -202910.1537 2326.9201 0.0000 0.0000 52177.6074 -109177.8922 299.8654 -161355.4996 -108814.2754 300.4060 -86.0103 -56.4505 761386.6504 2.8519 2.7651 PRESSURE: 3357000 -48.5721 34.7784 -8.11002 34.7788 197.197 182.282 -8.10894 182.282 32.0429 GPRESSURE: 3357000 16.9633 5.60577 19.8006 85.5879 167.974 170.225 -16.4662 116.636 79.0936 PRESSAVG: 3357000 -5.51994 35.0804 35.8195 35.0804 3.78858 -14.1953 35.8195 -14.1954 30.5687 GPRESSAVG: 3357000 -5.27203 32.1028 35.5322 35.1556 3.68221 -14.5112 36.4633 -14.0349 29.9908 TIMING: 3357000 CPU: 10665, 0.00313244/step Wall: 10665, 0.00313244/step, 1.42961 hours remaining, 234.406250 MB of memory in use. ENERGY: 3357000 3967.1134 20549.3826 14462.3852 242.6665 -203430.3964 2843.6255 0.0000 0.0000 52169.0390 -109196.1841 299.8162 -161365.2231 -108829.9619 299.8548 60.2225 88.0102 760659.5000 9.6125 9.4670 PRESSURE: 3357200 166.841 79.8806 40.2369 79.879 186.974 248.886 40.237 248.886 150.171 GPRESSURE: 3357200 272.731 -31.7956 48.3399 25.0324 130.699 216.393 44.0261 156.191 186.172 PRESSAVG: 3357200 -42.7725 80.9068 23.7074 80.9067 -1.73469 -27.5672 23.7074 -27.5671 6.91552 GPRESSAVG: 3357200 -42.057 82.8995 25.9864 78.7313 -3.73971 -27.4009 21.732 -28.2753 8.13039 TIMING: 3357200 CPU: 10665.6, 0.00311684/step Wall: 10665.6, 0.00311684/step, 1.42232 hours remaining, 234.406250 MB of memory in use. ENERGY: 3357200 4003.5551 20430.7054 14425.3824 246.9524 -203163.3438 2570.5819 0.0000 0.0000 52271.9580 -109214.2086 300.4077 -161486.1666 -108859.7384 300.0839 167.9952 196.5340 761715.2415 -12.5306 -12.5554 PRESSURE: 3357400 426.48 126.935 23.2151 126.935 -201.212 -276.037 23.2161 -276.038 -100.645 GPRESSURE: 3357400 377.834 175.897 -130.593 102.951 -119.678 -275.696 -32.0193 -171.201 -44.9195 PRESSAVG: 3357400 63.7436 26.5209 31.8508 26.5209 -30.3395 40.0277 31.8508 40.0278 -9.24799 GPRESSAVG: 3357400 62.1946 24.4354 30.7096 28.224 -28.5268 40.1247 32.1284 39.9834 -9.56169 TIMING: 3357400 CPU: 10666.2, 0.00311596/step Wall: 10666.2, 0.00311596/step, 1.42174 hours remaining, 234.406250 MB of memory in use. ENERGY: 3357400 3941.6175 20470.7861 14492.1006 257.0612 -203167.8940 2621.8412 0.0000 0.0000 52229.3572 -109155.1302 300.1628 -161384.4874 -108794.5062 299.5339 41.5410 71.0788 760962.3841 8.0520 8.0353 PRESSURE: 3357600 13.7697 84.5529 47.5027 84.553 -418.633 126.001 47.5018 126.001 -257.69 GPRESSURE: 3357600 101.96 87.4914 122.321 159.33 -348.096 110.546 53.6345 100.25 -314.744 PRESSAVG: 3357600 29.6761 17.6406 89.8825 17.6406 -8.37953 -24.3814 89.8826 -24.3815 4.88995 GPRESSAVG: 3357600 30.5105 20.3666 89.875 16.2496 -8.67869 -25.4122 91.2663 -22.3877 3.78407 TIMING: 3357600 CPU: 10666.9, 0.00312326/step Wall: 10666.9, 0.00312326/step, 1.4249 hours remaining, 234.406250 MB of memory in use. ENERGY: 3357600 3959.7479 20614.7393 14458.2807 254.5131 -203245.2282 2435.3071 0.0000 0.0000 52331.7122 -109190.9280 300.7511 -161522.6402 -108829.9550 300.2961 -220.8511 -186.9596 758971.8389 8.7289 8.5386 PRESSURE: 3357800 18.9601 106.538 73.3809 106.538 52.1021 97.7438 73.3806 97.7432 204.763 GPRESSURE: 3357800 47.3295 189.434 32.9308 93.3221 86.5292 59.3376 187.898 -49.4122 226.384 PRESSAVG: 3357800 42.9751 33.6336 55.4151 33.6336 -28.777 -1.42132 55.415 -1.42135 12.202 GPRESSAVG: 3357800 42.5455 33.4069 56.579 35.2191 -30.545 -1.93093 55.1287 -3.08201 14.4544 TIMING: 3357800 CPU: 10667.5, 0.00312778/step Wall: 10667.5, 0.00312778/step, 1.42679 hours remaining, 234.406250 MB of memory in use. ENERGY: 3357800 4011.5674 20498.6533 14439.0542 238.0721 -203172.6243 2468.8651 0.0000 0.0000 52283.0127 -109233.3995 300.4712 -161516.4122 -108859.1783 300.2036 91.9417 120.0808 760371.5035 8.8000 8.8183 PRESSURE: 3358000 31.3968 56.7173 -21.1624 56.7178 162.797 65.1311 -21.1626 65.1327 302.659 GPRESSURE: 3358000 132.344 130.381 -89.9752 -15.185 184.236 67.144 44.2243 114.889 280.004 PRESSAVG: 3358000 -22.6224 -44.5803 -10.0602 -44.5803 8.0194 19.0552 -10.0603 19.0552 -4.39028 GPRESSAVG: 3358000 -22.9919 -45.2542 -10.5349 -46.04 9.46565 20.2308 -9.69393 18.3752 -5.31006 TIMING: 3358000 CPU: 10668.1, 0.00314368/step Wall: 10668.1, 0.00314368/step, 1.43387 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3358000 4014.4526 20483.8753 14401.1174 250.2752 -203701.2197 2767.0914 0.0000 0.0000 52551.7235 -109232.6842 302.0155 -161784.4077 -108862.1442 300.0855 165.6177 198.8612 760977.7907 -6.3311 -6.2788 PRESSURE: 3358200 108.971 103.655 -102.189 103.656 363.853 -166.378 -102.188 -166.377 172.446 GPRESSURE: 3358200 134.113 113.876 -99.2353 147.848 287.237 -206.917 -187.804 -185.848 306.832 PRESSAVG: 3358200 5.90399 53.9882 35.2821 53.9882 20.8616 9.5294 35.2821 9.52927 -11.2005 GPRESSAVG: 3358200 5.84664 56.177 32.4475 54.6593 21.4121 9.63926 36.1544 10.2971 -11.8063 TIMING: 3358200 CPU: 10668.8, 0.003141/step Wall: 10668.8, 0.003141/step, 1.43247 hours remaining, 234.406250 MB of memory in use. ENERGY: 3358200 3948.6715 20776.8950 14462.0067 234.5064 -203160.7862 2570.1777 0.0000 0.0000 51979.5035 -109189.0254 298.7269 -161168.5289 -108833.8736 300.0425 215.0898 242.7273 761223.5768 5.1884 5.1508 PRESSURE: 3358400 -131.703 89.5511 51.8728 89.5507 -397.481 15.1971 51.8715 15.1984 -464.46 GPRESSURE: 3358400 -104.006 36.2175 51.9636 72.3218 -323.162 -69.7123 109.469 50.3714 -469.105 PRESSAVG: 3358400 -31.7431 17.6512 -3.66726 17.6513 1.73639 29.9631 -3.66724 29.9632 0.997158 GPRESSAVG: 3358400 -31.7732 16.1712 -1.64228 15.9359 0.894083 30.5529 -4.57441 30.5419 1.78283 TIMING: 3358400 CPU: 10669.4, 0.00314235/step Wall: 10669.4, 0.00314235/step, 1.43291 hours remaining, 234.406250 MB of memory in use. ENERGY: 3358400 4004.5955 20509.7158 14473.2986 227.9005 -203197.7309 2313.1584 0.0000 0.0000 52138.4951 -109530.5671 299.6406 -161669.0622 -109173.3637 299.4108 -331.2148 -298.7577 762898.0080 -9.6699 -9.6988 PRESSURE: 3358600 -10.2852 -36.25 -183.212 -36.2507 -275.651 -111.721 -183.212 -111.722 -130.631 GPRESSURE: 3358600 4.92222 -75.0588 -122.624 -162.047 -301.241 -130.587 -19.7371 -176.759 -30.198 PRESSAVG: 3358600 -8.68343 0.732545 22.6085 0.732517 25.3061 26.0455 22.6086 26.0455 -42.0768 GPRESSAVG: 3358600 -9.40555 3.39523 21.76 -0.845073 26.0248 25.4127 23.7856 28.0597 -42.5301 TIMING: 3358600 CPU: 10670, 0.00314399/step Wall: 10670, 0.00314399/step, 1.43348 hours remaining, 234.406250 MB of memory in use. ENERGY: 3358600 3990.8413 20505.5469 14423.9669 238.7687 -203285.2331 2669.5714 0.0000 0.0000 51856.3833 -109600.1546 298.0193 -161456.5379 -109230.4035 298.8821 -138.8556 -108.8389 761859.4717 -8.4847 -8.6369 PRESSURE: 3358800 186.2 -28.529 -59.233 -28.5293 -270 -33.1166 -59.2329 -33.116 -254.153 GPRESSURE: 3358800 175.325 -36.6567 -84.4402 49.6983 -256.854 12.6096 -66.2589 -152.882 -178.31 PRESSAVG: 3358800 7.21722 -12.4283 47.8209 -12.4283 7.89216 -37.8093 47.8209 -37.8093 18.2637 GPRESSAVG: 3358800 8.24745 -13.6437 47.0968 -10.8225 8.33655 -38.4748 46.976 -41.424 17.1716 TIMING: 3358800 CPU: 10670.6, 0.00313033/step Wall: 10670.6, 0.00313033/step, 1.42708 hours remaining, 234.406250 MB of memory in use. ENERGY: 3358800 4009.4330 20528.4926 14488.7076 242.1394 -203306.7852 2441.3963 0.0000 0.0000 52011.9021 -109584.7141 298.9131 -161596.6163 -109217.1586 298.8266 -112.6508 -86.6131 759893.2836 11.1244 11.2519 PRESSURE: 3359000 -93.16 134.165 -196.316 134.166 218.311 -87.7997 -196.317 -87.7998 349.083 GPRESSURE: 3359000 -20.0918 135.816 -101.511 114.652 202.479 -118.48 -206.056 -35.6731 375.33 PRESSAVG: 3359000 44.1775 39.8479 -50.2908 39.8479 -50.3152 -34.3952 -50.2908 -34.3951 -8.69421 GPRESSAVG: 3359000 44.7546 39.3938 -46.6875 38.9185 -50.8363 -34.0624 -51.7401 -32.9954 -8.82192 TIMING: 3359000 CPU: 10671.3, 0.00312341/step Wall: 10671.3, 0.00312341/step, 1.42375 hours remaining, 234.406250 MB of memory in use. ENERGY: 3359000 4036.9569 20573.0384 14462.8764 274.0175 -203913.1784 2908.3571 0.0000 0.0000 52018.6440 -109639.2879 298.9519 -161657.9320 -109283.2674 299.4043 158.0781 185.9058 759617.2815 -4.9440 -4.9679 PRESSURE: 3359200 -127.04 -51.3108 -25.3721 -51.3099 -204.072 43.8918 -25.372 43.8914 -45.1574 GPRESSURE: 3359200 -65.0516 -104.694 -37.0657 -113.564 -165.771 -52.1459 -56.1479 56.3603 -37.565 PRESSAVG: 3359200 -26.7876 3.15884 10.3639 3.15892 12.9921 26.3276 10.364 26.3275 -6.20064 GPRESSAVG: 3359200 -27.7051 1.38168 9.15714 4.59426 13.4653 25.4782 12.3473 26.7508 -5.83981 TIMING: 3359200 CPU: 10671.9, 0.00314496/step Wall: 10671.9, 0.00314496/step, 1.4334 hours remaining, 234.406250 MB of memory in use. ENERGY: 3359200 4004.2773 20508.5751 14427.7150 260.0095 -203645.2400 2737.0802 0.0000 0.0000 52162.4740 -109545.1088 299.7785 -161707.5828 -109183.5317 299.1006 -125.4233 -89.4624 761281.3049 -6.6654 -6.6932 PRESSURE: 3359400 392.917 19.6276 -155.468 19.6279 8.14107 163.018 -155.468 163.017 159.645 GPRESSURE: 3359400 373.919 1.93377 -146.72 -15.4485 49.632 188.929 -147.175 46.061 224.88 PRESSAVG: 3359400 1.98306 14.2581 -35.4856 14.2582 -4.94047 34.3662 -35.4857 34.3661 15.6802 GPRESSAVG: 3359400 2.35417 15.0256 -36.6329 14.7484 -6.44644 34.3111 -36.1459 34.1255 16.5412 TIMING: 3359400 CPU: 10672.5, 0.00312125/step Wall: 10672.5, 0.00312125/step, 1.42242 hours remaining, 234.406250 MB of memory in use. ENERGY: 3359400 3894.8868 20521.5709 14415.7057 253.6713 -203586.3409 2645.2151 0.0000 0.0000 52295.8243 -109559.4668 300.5448 -161855.2911 -109200.7856 299.3994 186.9011 216.1436 760200.7243 4.2409 4.1497 PRESSURE: 3359600 -14.2654 -34.7809 232.564 -34.7809 -2.10268 -140.849 232.564 -140.849 223.714 GPRESSURE: 3359600 87.2123 -79.8031 244.605 -4.96365 -19.0441 -160.304 204.586 83.0772 240.324 PRESSAVG: 3359600 51.8944 -52.3612 -18.4748 -52.3613 -50.9371 6.41698 -18.4748 6.41706 14.9959 GPRESSAVG: 3359600 50.5776 -52.5335 -18.9551 -54.7023 -48.9412 7.54923 -18.3956 5.07536 14.3298 TIMING: 3359600 CPU: 10673.1, 0.00312743/step Wall: 10673.1, 0.00312743/step, 1.42507 hours remaining, 234.406250 MB of memory in use. ENERGY: 3359600 3917.3943 20487.8692 14472.2185 240.3427 -203246.9776 2407.4233 0.0000 0.0000 52047.9216 -109673.8081 299.1201 -161721.7297 -109312.7046 299.1350 69.1151 102.8307 759575.9477 5.3177 5.3220 PRESSURE: 3359800 96.1232 23.357 -183.951 23.3569 56.4853 33.2883 -183.953 33.289 -40.6917 GPRESSURE: 3359800 210.735 -32.5191 -105.565 30.8407 -19.072 1.13927 -78.6758 97.7814 14.6446 PRESSAVG: 3359800 26.5137 4.80768 -32.503 4.8077 -42.103 33.426 -32.5029 33.426 -0.0896114 GPRESSAVG: 3359800 27.1376 5.03985 -30.9796 6.24239 -42.7059 33.1156 -32.7702 36.9406 -0.0462532 TIMING: 3359800 CPU: 10673.8, 0.00313349/step Wall: 10673.8, 0.00313349/step, 1.42765 hours remaining, 234.406250 MB of memory in use. ENERGY: 3359800 3965.9222 20583.0459 14437.2714 257.0960 -202978.1191 2060.0083 0.0000 0.0000 51911.7780 -109762.9973 298.3377 -161674.7753 -109401.7344 299.0403 37.3056 68.7690 760802.4889 -5.2263 -5.2049 PRESSURE: 3360000 -164.732 -11.5119 -151.195 -11.512 47.595 294.996 -151.195 294.996 -22.3641 GPRESSURE: 3360000 79.0949 -99.5654 -117.647 -8.23444 -90.959 477.678 -162.101 226.804 -38.4208 PRESSAVG: 3360000 79.1586 7.55485 19.1435 7.55497 -97.6654 42.7806 19.1436 42.7805 14.2602 GPRESSAVG: 3360000 80.0626 6.62809 18.7353 6.48389 -98.6246 42.6139 19.4307 40.7134 14.2687 TIMING: 3360000 CPU: 10674.4, 0.00314258/step Wall: 10674.4, 0.00314258/step, 1.43162 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3360000 3988.5954 20582.6071 14505.3352 222.1724 -203110.5912 2424.4587 0.0000 0.0000 51856.3692 -109531.0531 298.0193 -161387.4223 -109178.2339 299.1101 -46.5004 -16.7616 760858.1821 -1.4155 -1.4311 PRESSURE: 3360200 -214.895 -33.4658 114.812 -33.466 -162.089 -81.824 114.812 -81.8235 -456.03 GPRESSURE: 3360200 -117.501 -27.8247 74.3486 -32.9611 -94.7737 -56.0544 -5.22311 -69.3293 -519.177 PRESSAVG: 3360200 91.3667 35.2196 -3.76869 35.2196 -54.1098 48.26 -3.76868 48.2599 19.5298 GPRESSAVG: 3360200 91.0377 34.3293 -5.37373 37.0535 -51.6023 46.089 -4.65502 49.5953 17.5141 TIMING: 3360200 CPU: 10675, 0.0031412/step Wall: 10675, 0.0031412/step, 1.43081 hours remaining, 234.406250 MB of memory in use. ENERGY: 3360200 3968.0812 20549.7775 14457.6829 241.0237 -203053.4474 2335.2681 0.0000 0.0000 52082.4499 -109419.1641 299.3186 -161501.6140 -109050.6326 299.1457 -277.6713 -243.8170 761153.0206 18.9289 18.9832 LDB: ============= START OF LOAD BALANCING ============== 10687.4 LDB: ============== END OF LOAD BALANCING =============== 10687.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10687.4 LDB: ============= START OF LOAD BALANCING ============== 10687.8 LDB: Largest compute 7078 load 0.032816 is 16.8% of average load 0.195547 LDB: Average compute 0.004406 is 2.3% of average load 0.195547 LDB: TIME 10687.8 LOAD: AVG 0.195547 MAX 0.2184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.84 MB LDB: TIME 10687.8 LOAD: AVG 0.195547 MAX 0.2184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.047 MB LDB: TIME 10687.8 LOAD: AVG 0.195547 MAX 0.21695 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.047 MB LDB: ============== END OF LOAD BALANCING =============== 10687.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10687.8 PRESSURE: 3360400 152.479 -359.694 89.918 -359.694 -184.171 249.878 89.9182 249.877 339.45 GPRESSURE: 3360400 151.56 -337.201 101.496 -289.094 -129.031 316.101 89.8821 74.6992 376.038 PRESSAVG: 3360400 36.0357 12.3911 -49.1248 12.3911 -73.6106 -37.122 -49.1247 -37.122 0.236123 GPRESSAVG: 3360400 35.7782 14.3578 -46.4158 12.2295 -75.4711 -37.5454 -49.6081 -37.1847 1.92349 TIMING: 3360400 CPU: 10675.7, 0.00319887/step Wall: 10675.7, 0.00319887/step, 1.45691 hours remaining, 232.281250 MB of memory in use. ENERGY: 3360400 3920.2854 20632.9468 14519.2876 258.7091 -203613.6380 2675.8967 0.0000 0.0000 52139.2822 -109467.2302 299.6452 -161606.5124 -109114.0891 299.6355 102.5859 132.8557 761308.1143 -12.4462 -12.5898 PRESSURE: 3360600 102.595 201.052 106.273 201.051 -53.5332 -210.306 106.273 -210.306 -16.4002 GPRESSURE: 3360600 171.769 252.816 75.7979 190.28 -28.1236 -146.787 120.943 -165.632 -13.2065 PRESSAVG: 3360600 65.4666 -69.3755 -8.21739 -69.3755 -49.3016 14.0429 -8.21739 14.043 -6.68151 GPRESSAVG: 3360600 65.9074 -69.5663 -8.55579 -70.474 -49.5331 15.8865 -6.69749 10.9784 -7.32645 TIMING: 3360600 CPU: 10676.3, 0.00314323/step Wall: 10676.3, 0.00314323/step, 1.43139 hours remaining, 232.281250 MB of memory in use. ENERGY: 3360600 4050.7947 20524.9226 14446.1879 220.8215 -203561.1648 2633.6840 0.0000 0.0000 52304.1633 -109380.5909 300.5927 -161684.7542 -109017.1543 300.0014 10.8873 43.4797 762113.8948 3.1612 3.0160 PRESSURE: 3360800 243.778 -100.241 -187.631 -100.241 209.099 49.8093 -187.631 49.8096 45.2388 GPRESSURE: 3360800 368.474 -74.4935 -194.115 -169.358 99.3398 52.9162 -266.754 110.988 104.546 PRESSAVG: 3360800 -2.59899 -35.502 3.17099 -35.5021 6.6015 31.8171 3.17101 31.8171 -2.01083 GPRESSAVG: 3360800 -2.9134 -33.1901 2.8991 -36.4172 6.25361 32.7532 3.61433 30.5744 -1.91786 TIMING: 3360800 CPU: 10676.9, 0.00314832/step Wall: 10676.9, 0.00314832/step, 1.43353 hours remaining, 232.484375 MB of memory in use. ENERGY: 3360800 3975.6724 20594.7385 14481.8315 257.2419 -203311.2077 2825.4319 0.0000 0.0000 51981.0744 -109195.2171 298.7359 -161176.2915 -108835.0634 299.8480 166.0386 190.7867 761951.5523 0.6639 0.4741 PRESSURE: 3361000 90.7227 15.4965 -83.2786 15.4967 88.6641 174.126 -83.2788 174.127 -182.67 GPRESSURE: 3361000 194.946 15.7968 -25.5064 101.61 35.9514 235.817 -199.179 148.655 -139.558 PRESSAVG: 3361000 9.81381 -32.9891 -23.8112 -32.9892 -23.0918 44.248 -23.8112 44.248 -9.78356 GPRESSAVG: 3361000 11.5807 -35.6305 -23.7191 -30.349 -24.0218 44.2971 -24.5963 47.337 -10.6885 TIMING: 3361000 CPU: 10677.6, 0.00312457/step Wall: 10677.6, 0.00312457/step, 1.42255 hours remaining, 232.484375 MB of memory in use. ENERGY: 3361000 4016.8525 20568.5576 14393.7999 250.0277 -203104.2256 2625.5762 0.0000 0.0000 52223.2179 -109026.1939 300.1276 -161249.4117 -108662.3102 299.9531 -1.0945 30.4465 762949.5177 -7.6872 -7.7099 PRESSURE: 3361200 174.268 -30.8751 76.2269 -30.8752 31.2995 133.222 76.2269 133.222 181.982 GPRESSURE: 3361200 239.942 -66.1024 83.0903 -107.736 4.75925 150.323 -2.68897 50.2373 244.347 PRESSAVG: 3361200 60.5953 -17.452 -30.5907 -17.452 -48.0198 23.0892 -30.5907 23.0892 -0.317154 GPRESSAVG: 3361200 57.8917 -16.7982 -31.8615 -18.6057 -47.0441 22.5024 -29.3197 22.964 1.03448 TIMING: 3361200 CPU: 10678.2, 0.00314949/step Wall: 10678.2, 0.00314949/step, 1.43372 hours remaining, 232.484375 MB of memory in use. ENERGY: 3361200 4002.0124 20566.0295 14341.5286 245.6093 -203253.8469 2717.5557 0.0000 0.0000 52379.9736 -109001.1378 301.0284 -161381.1113 -108640.1066 300.1468 129.1832 163.0162 762491.2189 4.0861 3.9607 PRESSURE: 3361400 199.978 141.391 101.267 141.392 154.662 -31.3045 101.268 -31.304 415.49 GPRESSURE: 3361400 261.594 110.32 147.243 228.202 218.866 -27.5281 124.879 96.7008 383.508 PRESSAVG: 3361400 100.518 29.4926 33.9263 29.4926 -54.2039 20.3795 33.9264 20.3795 6.82074 GPRESSAVG: 3361400 100.753 28.3499 34.732 31.5871 -53.8333 21.9392 33.585 19.2048 5.79075 TIMING: 3361400 CPU: 10678.8, 0.00314557/step Wall: 10678.8, 0.00314557/step, 1.43176 hours remaining, 232.484375 MB of memory in use. ENERGY: 3361400 3970.6226 20644.5428 14375.8993 248.4964 -202627.3088 2153.0720 0.0000 0.0000 52161.7441 -109072.9315 299.7743 -161234.6756 -108702.4006 300.1609 256.7101 287.9893 761262.0222 17.7117 17.5701 PRESSURE: 3361600 -535.972 17.4109 -138.907 17.4105 -446.284 -51.2319 -138.908 -51.2325 -307.603 GPRESSURE: 3361600 -452.253 -18.9542 -144.812 64.8249 -479.746 -109.728 -78.7569 -65.0136 -281.969 PRESSAVG: 3361600 35.9373 -0.672543 17.918 -0.67255 -12.1966 -19.9438 17.918 -19.9438 2.3171 GPRESSAVG: 3361600 35.877 -0.817361 18.3449 -2.42316 -13.1701 -21.4707 16.6965 -18.5299 3.61513 TIMING: 3361600 CPU: 10679.4, 0.00314467/step Wall: 10679.4, 0.00314467/step, 1.43117 hours remaining, 232.484375 MB of memory in use. ENERGY: 3361600 4067.8191 20603.3898 14490.9898 251.0343 -202786.1623 2264.5982 0.0000 0.0000 51983.5462 -109124.7851 298.7502 -161108.3312 -108774.9741 300.0389 -429.9532 -404.6560 761603.7093 8.6859 8.7740 PRESSURE: 3361800 205.499 -147.085 -98.0999 -147.086 244.166 279.197 -98.1002 279.197 -517.872 GPRESSURE: 3361800 298.399 -158.328 -108.526 -92.6365 173.574 237.929 -35.1692 260.743 -453.188 PRESSAVG: 3361800 0.84166 -28.4683 1.91069 -28.4684 -36.6573 -14.964 1.91073 -14.9639 -18.6358 GPRESSAVG: 3361800 0.995161 -26.6147 0.580824 -28.6557 -35.7803 -15.1215 4.05231 -14.8218 -20.0707 TIMING: 3361800 CPU: 10680.1, 0.00312183/step Wall: 10680.1, 0.00312183/step, 1.42061 hours remaining, 232.484375 MB of memory in use. ENERGY: 3361800 3953.3323 20602.3714 14505.2821 236.0020 -203054.5013 2377.6318 0.0000 0.0000 52140.7162 -109239.1655 299.6534 -161379.8817 -108868.1603 299.5616 -22.7358 6.2615 760796.0190 -18.1505 -18.2853 PRESSURE: 3362000 -200.325 29.8315 17.0831 29.8332 89.7967 -175.161 17.0838 -175.16 -391.982 GPRESSURE: 3362000 -60.7973 48.6708 -50.2354 -68.3359 -0.714074 -112.719 43.6444 -200.585 -358.561 PRESSAVG: 3362000 10.9347 -36.139 44.0032 -36.139 3.87437 70.7934 44.0031 70.7933 4.16041 GPRESSAVG: 3362000 10.0373 -37.7646 45.6795 -35.6846 4.21321 72.7151 41.7416 70.2457 4.68696 TIMING: 3362000 CPU: 10680.7, 0.00312273/step Wall: 10680.7, 0.00312273/step, 1.42084 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3362000 3986.4290 20562.2701 14485.2662 249.1963 -203159.4465 2366.7553 0.0000 0.0000 52334.6767 -109174.8530 300.7681 -161509.5297 -108816.7737 300.1443 -167.5032 -140.0243 760569.3093 6.3232 6.3125 PRESSURE: 3362200 -244.305 -9.61797 -83.4274 -9.61786 -100.863 -147.428 -83.428 -147.427 -122.012 GPRESSURE: 3362200 -295.27 -41.1211 -62.0936 30.7178 -32.195 -93.075 18.6028 -132.808 -40.4017 PRESSAVG: 3362200 37.4639 32.5178 49.8951 32.5177 -63.8175 -9.13717 49.8951 -9.13716 -9.44498 GPRESSAVG: 3362200 37.689 32.7854 50.496 32.0544 -63.8676 -10.4685 50.4574 -9.2792 -9.1763 TIMING: 3362200 CPU: 10681.3, 0.00311819/step Wall: 10681.3, 0.00311819/step, 1.4186 hours remaining, 232.484375 MB of memory in use. ENERGY: 3362200 4068.9625 20381.6531 14466.5468 255.7396 -202993.6361 2412.4323 0.0000 0.0000 52168.9204 -109239.3814 299.8155 -161408.3019 -108879.8402 300.2916 -155.7267 -122.6221 760922.5922 -11.9328 -11.7850 PRESSURE: 3362400 -179.044 -32.8626 -164.088 -32.8635 -320.793 104.774 -164.089 104.775 122.258 GPRESSURE: 3362400 -205.637 -28.1102 -235.859 -49.4155 -252.835 138.651 -206.877 63.1929 178.778 PRESSAVG: 3362400 28.2479 -31.6278 -0.364301 -31.6278 -46.7268 -5.01048 -0.364249 -5.0105 -4.53841 GPRESSAVG: 3362400 27.6375 -30.4978 -0.814308 -33.6203 -45.4251 -4.43494 0.791715 -7.24083 -4.81559 TIMING: 3362400 CPU: 10681.9, 0.00312161/step Wall: 10681.9, 0.00312161/step, 1.41999 hours remaining, 232.484375 MB of memory in use. ENERGY: 3362400 3972.9016 20636.7661 14518.3679 265.2661 -203196.7969 2267.9200 0.0000 0.0000 52041.1646 -109494.4106 299.0813 -161535.5752 -109142.3118 299.5910 -125.8596 -93.2314 760372.6308 -7.6724 -7.5344 PRESSURE: 3362600 107.483 -57.2065 175.336 -57.2064 -359.401 121.433 175.336 121.433 -228.439 GPRESSURE: 3362600 103.954 -152.441 98.5404 -6.43202 -177.19 27.1088 25.6463 113.686 -307.179 PRESSAVG: 3362600 55.6219 -24.0832 17.2376 -24.0832 -40.0245 14.9388 17.2376 14.9388 -31.5739 GPRESSAVG: 3362600 57.2202 -24.8095 16.8042 -23.0021 -41.1092 14.0138 16.5407 16.7881 -32.1601 TIMING: 3362600 CPU: 10682.6, 0.0031476/step Wall: 10682.6, 0.0031476/step, 1.43163 hours remaining, 232.484375 MB of memory in use. ENERGY: 3362600 3964.7682 20452.1837 14416.9669 262.6908 -203258.6602 2484.9088 0.0000 0.0000 52212.9876 -109464.1543 300.0688 -161677.1419 -109098.5039 299.4650 -160.1189 -126.8051 761146.5209 -5.3255 -5.3497 PRESSURE: 3362800 -51.9103 -113.415 42.6633 -113.414 57.4873 35.731 42.6626 35.731 230.085 GPRESSURE: 3362800 -41.4555 -100.769 -7.04174 -115.243 104.025 84.4899 25.5905 1.94087 243.678 PRESSAVG: 3362800 91.4844 -3.70129 47.7308 -3.70127 -80.508 33.2864 47.7308 33.2864 12.6108 GPRESSAVG: 3362800 92.0356 -6.17702 48.1682 -4.17525 -80.6512 31.7893 48.2849 34.1426 12.5273 TIMING: 3362800 CPU: 10683.2, 0.0031491/step Wall: 10683.2, 0.0031491/step, 1.43214 hours remaining, 232.484375 MB of memory in use. ENERGY: 3362800 4052.6436 20494.4021 14498.2770 250.4876 -203571.9068 2675.1513 0.0000 0.0000 52173.5968 -109427.3483 299.8424 -161600.9451 -109054.1551 299.4014 78.5540 102.0826 761411.3361 7.8624 7.9706 PRESSURE: 3363000 12.7339 276.382 219.171 276.383 28.663 3.96357 219.17 3.96518 233.549 GPRESSURE: 3363000 127.814 247.642 255.596 218.662 45.8568 -1.41678 -3.82866 96.8356 186.338 PRESSAVG: 3363000 52.5822 -15.9777 -0.488456 -15.9777 -56.0094 34.7883 -0.488437 34.7884 -33.1993 GPRESSAVG: 3363000 52.3614 -12.3515 -0.80147 -15.6132 -56.0757 35.0688 -0.188553 34.658 -33.2284 TIMING: 3363000 CPU: 10683.8, 0.00315883/step Wall: 10683.8, 0.00315883/step, 1.43639 hours remaining, 232.484375 MB of memory in use. ENERGY: 3363000 3978.5111 20544.7430 14534.1016 261.6066 -203598.4486 2704.1477 0.0000 0.0000 52207.0250 -109368.3136 300.0345 -161575.3386 -109001.1406 299.2623 91.6487 120.0028 760663.0714 -12.2088 -12.3142 PRESSURE: 3363200 215.479 -149.827 -260.102 -149.827 193.929 133.34 -260.102 133.34 53.4788 GPRESSURE: 3363200 225.253 -89.8055 -217.689 -15.5519 224.026 111.636 -316.379 96.9361 100.16 PRESSAVG: 3363200 66.1692 -33.4475 42.3258 -33.4476 -52.6816 -11.6225 42.3258 -11.6224 5.60953 GPRESSAVG: 3363200 65.8587 -36.2008 42.2969 -32.1942 -53.8157 -9.93968 40.6878 -12.9903 6.79232 TIMING: 3363200 CPU: 10684.5, 0.003139/step Wall: 10684.5, 0.003139/step, 1.4272 hours remaining, 232.484375 MB of memory in use. ENERGY: 3363200 3980.9370 20537.1536 14490.8571 263.2497 -203083.1463 2368.0599 0.0000 0.0000 52039.6962 -109403.1928 299.0728 -161442.8890 -109045.1601 299.6643 154.2955 183.1465 758861.1979 6.3657 6.2784 PRESSURE: 3363400 128.657 81.6311 -172.279 81.6311 118.685 -6.21478 -172.279 -6.2148 145.24 GPRESSURE: 3363400 195.739 79.1603 -185.864 46.7941 123.97 -118.338 -190.376 28.2214 160.256 PRESSAVG: 3363400 19.8957 1.96986 26.5694 1.96984 -23.1868 -43.4212 26.5694 -43.4213 10.0072 GPRESSAVG: 3363400 20.6641 5.20588 26.4908 0.138817 -23.1381 -44.1177 28.3267 -41.773 8.95925 TIMING: 3363400 CPU: 10685.1, 0.00313814/step Wall: 10685.1, 0.00313814/step, 1.42663 hours remaining, 232.484375 MB of memory in use. ENERGY: 3363400 3867.3285 20369.2898 14499.5355 258.1148 -203519.5044 2728.4909 0.0000 0.0000 52192.8376 -109603.9073 299.9530 -161796.7449 -109233.4897 299.0503 130.8607 159.9886 760840.3393 2.2387 2.1618 PRESSURE: 3363600 -14.5357 265.931 -45.7054 265.929 10.2636 -13.5231 -45.7053 -13.5228 -161.801 GPRESSURE: 3363600 37.3673 160.607 -31.0485 311.228 -31.5597 -29.8932 -102.944 -47.5345 -87.7376 PRESSAVG: 3363600 38.692 9.76366 -0.301789 9.76367 -66.0565 -21.9323 -0.301788 -21.9323 17.2529 GPRESSAVG: 3363600 37.9922 6.13085 -1.10905 9.92246 -65.4478 -20.7192 -0.958998 -22.5346 17.2734 TIMING: 3363600 CPU: 10685.7, 0.00313654/step Wall: 10685.7, 0.00313654/step, 1.42573 hours remaining, 232.484375 MB of memory in use. ENERGY: 3363600 4034.5079 20551.7217 14466.9548 250.9589 -203357.6373 2473.4571 0.0000 0.0000 52059.1837 -109520.8531 299.1848 -161580.0369 -109173.9964 298.9020 -55.3576 -27.3100 761722.5470 -3.3705 -3.3941 PRESSURE: 3363800 403.778 241.513 -36.3461 241.513 56.1191 -11.0503 -36.3458 -11.0502 -91.74 GPRESSURE: 3363800 386.935 178.531 -124.062 311.911 174.288 57.1961 75.1133 -51.1335 -101.234 PRESSAVG: 3363800 25.3715 -1.51521 -17.6811 -1.51519 -44.6516 -26.677 -17.6811 -26.677 9.2219 GPRESSAVG: 3363800 25.1549 0.91163 -17.7177 -2.32188 -43.7358 -28.1717 -17.7287 -26.0569 9.57817 TIMING: 3363800 CPU: 10686.3, 0.00313712/step Wall: 10686.3, 0.00313712/step, 1.42582 hours remaining, 232.484375 MB of memory in use. ENERGY: 3363800 3980.7970 20399.2660 14458.2138 240.0471 -203424.2046 2690.4281 0.0000 0.0000 51956.6008 -109698.8519 298.5953 -161655.4526 -109339.8605 298.6672 122.7191 153.3298 760599.7838 -3.3527 -3.0009 PRESSURE: 3364000 -286.825 229.608 -96.971 229.608 -47.7145 -49.5379 -96.9717 -49.5385 -452.583 GPRESSURE: 3364000 -301.48 164.903 -105.562 192.683 -21.6554 -85.5915 -89.2347 -30.8569 -382.645 PRESSAVG: 3364000 51.8796 8.66137 23.6251 8.66139 -103.719 -18.2962 23.6251 -18.2963 -10.0187 GPRESSAVG: 3364000 52.8689 9.14011 25.8466 8.59939 -104.715 -17.0718 22.0823 -18.9347 -10.3294 TIMING: 3364000 CPU: 10687, 0.00313812/step Wall: 10687, 0.00313812/step, 1.4261 hours remaining, 232.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3364000 4024.3075 20513.9126 14604.5502 258.3782 -203503.2192 2648.2894 0.0000 0.0000 51810.6876 -109643.0937 297.7567 -161453.7813 -109285.2176 298.4175 -262.3742 -235.2603 762049.4426 -20.6193 -20.7252 PRESSURE: 3364200 -91.0657 -188.995 -71.4528 -188.993 200.848 -184.152 -71.4535 -184.152 693.909 GPRESSURE: 3364200 -28.5979 -125.024 -124.738 -151.836 260.653 -259.514 -162.527 -180.164 657.364 PRESSAVG: 3364200 22.0606 20.5351 2.3019 20.5352 -55.5718 25.9297 2.30189 25.9297 -14.1778 GPRESSAVG: 3364200 21.7029 20.879 0.747078 21.1624 -55.0515 26.1085 3.61967 24.3972 -13.7708 TIMING: 3364200 CPU: 10687.6, 0.00313441/step Wall: 10687.6, 0.00313441/step, 1.42424 hours remaining, 232.484375 MB of memory in use. ENERGY: 3364200 3921.0619 20696.9336 14466.4065 244.7309 -203747.2376 2754.4345 0.0000 0.0000 51987.9461 -109675.7241 298.7754 -161663.6702 -109310.4321 298.5572 267.8972 296.4730 759211.9580 -15.8963 -15.7065 LDB: ============= START OF LOAD BALANCING ============== 10700 LDB: ============== END OF LOAD BALANCING =============== 10700 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10700 LDB: ============= START OF LOAD BALANCING ============== 10700.3 LDB: Largest compute 7069 load 0.031484 is 16.1% of average load 0.195595 LDB: Average compute 0.004381 is 2.2% of average load 0.195595 LDB: TIME 10700.3 LOAD: AVG 0.195595 MAX 0.217956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.047 MB LDB: TIME 10700.3 LOAD: AVG 0.195595 MAX 0.217956 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 10700.3 LOAD: AVG 0.195595 MAX 0.217956 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 10700.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10700.3 PRESSURE: 3364400 -12.7811 5.18665 37.9259 5.18491 -274.118 216.759 37.925 216.76 -132.737 GPRESSURE: 3364400 -4.85694 103.332 90.4784 3.63988 -203.014 146.1 105.734 309.046 -109.356 PRESSAVG: 3364400 63.6597 -53.122 13.365 -53.122 -40.0317 1.13329 13.365 1.13329 14.6724 GPRESSAVG: 3364400 65.259 -51.0932 14.4043 -52.1695 -40.7877 0.833238 13.0754 3.10549 14.5251 TIMING: 3364400 CPU: 10688.2, 0.00321777/step Wall: 10688.2, 0.00321777/step, 1.46194 hours remaining, 233.816406 MB of memory in use. ENERGY: 3364400 4070.2829 20478.2586 14469.5535 269.7173 -203573.2292 2588.5160 0.0000 0.0000 52176.5323 -109520.3685 299.8592 -161696.9008 -109165.9454 299.2704 -139.8788 -105.7422 761156.3640 12.7668 12.9988 PRESSURE: 3364600 183.656 -69.9956 13.81 -69.9958 -1.15899 80.7541 13.8098 80.7532 137.73 GPRESSURE: 3364600 199.295 -108.138 3.0517 -127.82 15.841 148.944 -19.4967 -63.4137 166.341 PRESSAVG: 3364600 43.4596 -35.1904 31.7985 -35.1905 -14.9704 10.969 31.7984 10.969 -1.77767 GPRESSAVG: 3364600 41.6638 -37.5928 33.6066 -35.2416 -14.3387 10.3231 31.0121 14.7821 -0.942553 TIMING: 3364600 CPU: 10688.9, 0.00313906/step Wall: 10688.9, 0.00313906/step, 1.42601 hours remaining, 233.871094 MB of memory in use. ENERGY: 3364600 3939.9063 20549.3530 14535.7295 245.5111 -203610.0340 2731.4749 0.0000 0.0000 52098.3047 -109509.7545 299.4097 -161608.0592 -109139.4414 299.4625 106.7421 127.1587 760562.1566 8.9039 8.7942 PRESSURE: 3364800 104.248 -6.05528 -93.14 -6.05592 -417.749 269.208 -93.1405 269.208 72.7194 GPRESSURE: 3364800 40.9182 6.22283 -87.1233 -55.0942 -326.456 216.729 -6.49995 185.667 147.858 PRESSAVG: 3364800 -21.8882 -94.1424 -31.6952 -94.1423 -29.4701 17.9159 -31.6951 17.9158 4.15835 GPRESSAVG: 3364800 -20.4781 -95.4761 -33.9602 -95.1049 -29.4476 17.3017 -30.819 13.0538 2.45492 TIMING: 3364800 CPU: 10689.5, 0.00314829/step Wall: 10689.5, 0.00314829/step, 1.43002 hours remaining, 234.109375 MB of memory in use. ENERGY: 3364800 3953.6276 20600.5198 14538.9906 239.7692 -203403.4501 2666.8455 0.0000 0.0000 51980.1867 -109423.5107 298.7308 -161403.6974 -109059.0020 299.4400 -80.2606 -45.8934 762894.1037 -15.7333 -15.8236 PRESSURE: 3365000 197.864 -98.0034 -49.0376 -98.0022 280.029 -19.9349 -49.0378 -19.9361 270.909 GPRESSURE: 3365000 271.395 -59.9796 -112.606 -93.5038 236.389 -68.2018 -93.5942 70.7691 308.655 PRESSAVG: 3365000 4.14146 -21.263 -31.164 -21.263 -10.0446 26.6132 -31.164 26.6133 7.05153 GPRESSAVG: 3365000 3.77507 -20.2317 -30.3726 -20.8934 -10.5022 26.8726 -30.4303 27.4599 7.69134 TIMING: 3365000 CPU: 10690.1, 0.00314671/step Wall: 10690.1, 0.00314671/step, 1.42913 hours remaining, 234.109375 MB of memory in use. ENERGY: 3365000 3963.6748 20710.7588 14560.8353 255.2391 -203614.4172 2751.7043 0.0000 0.0000 52000.0391 -109372.1657 298.8449 -161372.2049 -109013.8428 299.2884 249.6007 272.1464 762056.9791 0.3828 0.3214 PRESSURE: 3365200 -2.64869 -129.031 32.6286 -129.032 -128.288 65.3441 32.6278 65.3442 -240.583 GPRESSURE: 3365200 -56.4792 -201.958 44.6301 -12.3009 -103.13 119.883 43.86 -0.887686 -126.699 PRESSAVG: 3365200 36.8295 -54.7661 -8.34479 -54.766 -54.3704 -5.62029 -8.34471 -5.62031 -2.75962 GPRESSAVG: 3365200 36.6132 -54.9003 -7.92942 -52.6224 -54.0589 -3.72935 -9.0032 -7.2306 -2.8074 TIMING: 3365200 CPU: 10690.7, 0.00314375/step Wall: 10690.7, 0.00314375/step, 1.42761 hours remaining, 234.109375 MB of memory in use. ENERGY: 3365200 4001.2522 20587.7365 14502.2110 256.0828 -203352.1812 2475.1872 0.0000 0.0000 52148.6220 -109381.0894 299.6988 -161529.7114 -109021.7849 299.4403 -123.8396 -95.4359 761568.2734 -6.7668 -6.7510 PRESSURE: 3365400 20.835 -133.94 -214.463 -133.94 55.6401 -116.964 -214.463 -116.964 251.489 GPRESSURE: 3365400 104.25 -108.673 -142.333 -162.388 73.0137 -94.0492 -248.622 48.6118 237.436 PRESSAVG: 3365400 53.1594 -32.6833 11.431 -32.6833 -30.0217 26.528 11.431 26.528 -8.56742 GPRESSAVG: 3365400 53.5529 -31.9665 10.8541 -33.1941 -31.0916 27.0542 11.0733 26.9209 -8.27395 TIMING: 3365400 CPU: 10691.4, 0.00315095/step Wall: 10691.4, 0.00315095/step, 1.43071 hours remaining, 234.308594 MB of memory in use. ENERGY: 3365400 3950.5839 20469.8059 14499.0187 240.8599 -203067.5994 2348.5142 0.0000 0.0000 52225.7624 -109333.0543 300.1422 -161558.8168 -108968.7441 299.2416 109.3215 138.2330 762766.9106 4.8568 4.7291 PRESSURE: 3365600 448.213 -71.1197 9.60332 -71.1198 204.728 166.507 9.60335 166.507 89.7492 GPRESSURE: 3365600 486.792 -16.923 6.89164 47.1698 214.91 162.931 -191.176 6.28419 119.657 PRESSAVG: 3365600 30.0231 -6.17496 -14.9813 -6.175 -38.6907 -20.2062 -14.9813 -20.2062 11.0477 GPRESSAVG: 3365600 30.7587 -6.43366 -13.784 -7.02321 -39.5698 -22.7274 -17.2209 -18.8521 11.3768 TIMING: 3365600 CPU: 10692, 0.0031628/step Wall: 10692, 0.0031628/step, 1.43591 hours remaining, 234.308594 MB of memory in use. ENERGY: 3365600 3946.2794 20507.8461 14520.9861 253.7444 -203390.1522 2535.0863 0.0000 0.0000 52150.7245 -109475.4853 299.7109 -161626.2098 -109113.2379 298.9197 247.5633 273.7862 761308.9882 0.7934 0.8553 PRESSURE: 3365800 194.168 125.161 -108.29 125.163 -118.013 50.5023 -108.291 50.5016 -228.552 GPRESSURE: 3365800 222.618 96.9614 -214.824 123.552 -110.332 117.55 -55.413 7.5096 -159.766 PRESSAVG: 3365800 14.6826 -8.2293 -9.32575 -8.22926 -46.491 -11.4401 -9.32576 -11.44 3.25467 GPRESSAVG: 3365800 14.033 -5.00763 -10.6649 -9.31715 -46.2002 -9.70357 -8.66169 -10.7977 2.9339 TIMING: 3365800 CPU: 10692.6, 0.0031539/step Wall: 10692.6, 0.0031539/step, 1.43169 hours remaining, 234.308594 MB of memory in use. ENERGY: 3365800 3966.2913 20477.4748 14535.2436 256.0242 -203337.8701 2358.4182 0.0000 0.0000 52310.8014 -109433.6165 300.6309 -161744.4179 -109070.9639 299.1176 -50.7987 -15.8268 759996.9450 -9.5179 -9.7444 PRESSURE: 3366000 -210.45 3.97687 -100.374 3.97766 256.068 45.4297 -100.374 45.4284 261.963 GPRESSURE: 3366000 -94.2099 -23.401 -19.2555 -96.169 291.591 59.7703 29.9354 64.4175 201.129 PRESSAVG: 3366000 29.8375 -18.5315 -13.7033 -18.5315 29.9038 24.6221 -13.7032 24.6221 -1.07945 GPRESSAVG: 3366000 30.2723 -22.0079 -13.3147 -16.9249 29.9458 26.4131 -11.9953 23.6855 -1.74806 TIMING: 3366000 CPU: 10693.3, 0.00314914/step Wall: 10693.3, 0.00314914/step, 1.42936 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3366000 3994.2169 20594.1418 14473.3054 270.3494 -203554.6921 2805.6299 0.0000 0.0000 52273.0515 -109143.9972 300.4139 -161417.0487 -108785.3438 299.9444 102.5267 132.8365 761297.6581 19.5540 19.4900 PRESSURE: 3366200 -43.9061 -106.41 -110.623 -106.41 282.811 -189.957 -110.624 -189.957 -320.694 GPRESSURE: 3366200 22.905 -140.547 -81.6019 -128.415 222.13 -143.124 -175.346 -167.689 -234.154 PRESSAVG: 3366200 -7.6538 -70.0088 -15.8674 -70.0088 8.94617 8.41067 -15.8674 8.41058 -10.0036 GPRESSAVG: 3366200 -7.60214 -69.4323 -16.2223 -72.1788 7.98133 6.55913 -14.7564 8.41456 -10.0276 TIMING: 3366200 CPU: 10693.9, 0.0031427/step Wall: 10693.9, 0.0031427/step, 1.42626 hours remaining, 234.308594 MB of memory in use. ENERGY: 3366200 3949.3820 20501.2262 14483.3009 257.9645 -203594.7816 2635.8937 0.0000 0.0000 52203.5855 -109563.4287 300.0147 -161767.0143 -109203.7419 299.8123 -27.2630 3.6268 761281.7713 -2.9037 -3.2161 PRESSURE: 3366400 247.534 -202.61 105.523 -202.61 -132.46 179.212 105.523 179.212 -71.389 GPRESSURE: 3366400 263.823 -166.805 107.154 -2.76951 -105.823 155.578 156.232 47.0101 -43.6391 PRESSAVG: 3366400 54.2926 -10.5928 35.4786 -10.5928 -38.3463 -16.025 35.4786 -16.0251 -0.546847 GPRESSAVG: 3366400 54.7707 -10.6031 36.1003 -7.43389 -38.104 -14.5512 34.1298 -17.1448 -1.15919 TIMING: 3366400 CPU: 10694.5, 0.00312792/step Wall: 10694.5, 0.00312792/step, 1.41938 hours remaining, 234.308594 MB of memory in use. ENERGY: 3366400 4016.1999 20649.6142 14531.2574 236.3205 -203435.2315 2560.9345 0.0000 0.0000 52023.6351 -109417.2698 298.9805 -161440.9049 -109054.5551 299.4417 14.5619 38.1203 760799.5260 5.1331 5.1692 PRESSURE: 3366600 25.3302 88.4832 145.721 88.4827 143.226 -303.244 145.721 -303.245 114.644 GPRESSURE: 3366600 132.53 -2.02652 147.233 141.845 94.8425 -301.803 57.8566 -179.393 131.118 PRESSAVG: 3366600 70.5791 -18.7964 13.788 -18.7965 -70.8357 5.80809 13.7879 5.80809 -35.0821 GPRESSAVG: 3366600 70.0591 -22.2204 13.743 -19.8246 -70.486 3.73521 15.1344 7.22927 -34.5306 TIMING: 3366600 CPU: 10695.2, 0.00312757/step Wall: 10695.2, 0.00312757/step, 1.41905 hours remaining, 234.308594 MB of memory in use. ENERGY: 3366600 3946.6663 20403.3227 14535.3536 265.1747 -203235.9938 2523.2030 0.0000 0.0000 52122.7278 -109439.5457 299.5500 -161562.2736 -109063.7809 299.6574 94.3999 119.4970 760958.5756 -11.7795 -11.6525 PRESSURE: 3366800 307.001 -79.4466 144.036 -79.4461 67.3392 -62.5365 144.037 -62.5368 -3.09872 GPRESSURE: 3366800 300.396 -40.1928 75.7386 -21.9137 127.201 -25.1397 227.789 -9.8599 20.5516 PRESSAVG: 3366800 68.9973 -9.85845 -23.8275 -9.85848 -80.3611 -25.2996 -23.8275 -25.2996 19.7175 GPRESSAVG: 3366800 67.4759 -5.40134 -24.7539 -9.94823 -79.5352 -23.2725 -26.0999 -24.7336 20.1429 TIMING: 3366800 CPU: 10695.8, 0.00314325/step Wall: 10695.8, 0.00314325/step, 1.42599 hours remaining, 234.308594 MB of memory in use. ENERGY: 3366800 3987.7427 20523.8008 14551.6211 251.3633 -203533.7892 2579.1309 0.0000 0.0000 52213.4056 -109426.7249 300.0712 -161640.1305 -109070.3716 299.3883 123.7471 149.3831 760734.5450 2.7846 2.6945 PRESSURE: 3367000 -149.99 -84.6782 -61.9067 -84.6779 340.596 144.204 -61.9069 144.203 120.231 GPRESSURE: 3367000 -119.18 -2.4743 -8.50167 -129.014 420.027 193.144 30.2773 80.9307 112.917 PRESSAVG: 3367000 27.6997 -53.9258 4.9427 -53.9258 19.8694 23.2214 4.94271 23.2214 7.29909 GPRESSAVG: 3367000 28.2528 -55.3501 6.44028 -55.2003 19.9174 22.5862 5.34592 21.9125 6.88251 TIMING: 3367000 CPU: 10696.4, 0.00313187/step Wall: 10696.4, 0.00313187/step, 1.42065 hours remaining, 234.308594 MB of memory in use. ENERGY: 3367000 4041.1730 20531.1146 14587.5400 254.7021 -203707.4320 2826.0845 0.0000 0.0000 52205.0190 -109261.7989 300.0230 -161466.8178 -108897.2844 299.8386 103.6126 137.9212 758399.5695 18.2894 18.3509 PRESSURE: 3367200 -248.692 99.0064 -210.91 99.0068 253.177 -74.5463 -210.91 -74.5462 409.635 GPRESSURE: 3367200 -228.417 35.5055 -260.562 236.08 338.497 -119.744 -132.115 -37.4716 417.5 PRESSAVG: 3367200 12.1644 -52.9066 -9.18312 -52.9065 2.67702 16.1763 -9.1831 16.1762 1.68137 GPRESSAVG: 3367200 11.9361 -52.3251 -9.94809 -50.9867 2.81226 16.1469 -9.8917 17.9133 1.63891 TIMING: 3367200 CPU: 10697, 0.0031497/step Wall: 10697, 0.0031497/step, 1.42856 hours remaining, 234.308594 MB of memory in use. ENERGY: 3367200 3985.1866 20451.1511 14477.8970 238.3294 -203238.7565 2563.6343 0.0000 0.0000 51963.7465 -109558.8117 298.6364 -161522.5582 -109195.4675 299.5552 138.0401 175.8602 761469.2994 5.5076 5.4624 PRESSURE: 3367400 241.903 109.907 150.347 109.907 -2.40551 -4.94138 150.346 -4.94203 -16.1425 GPRESSURE: 3367400 201.547 19.869 124.064 82.17 82.3317 30.9305 221.282 -139.21 56.5066 PRESSAVG: 3367400 -28.6015 19.1114 16.5015 19.1114 17.7014 39.552 16.5014 39.552 -12.3317 GPRESSAVG: 3367400 -28.8793 18.8387 17.4809 17.8833 18.7491 40.3034 16.4412 38.2774 -12.8042 TIMING: 3367400 CPU: 10697.7, 0.00313978/step Wall: 10697.7, 0.00313978/step, 1.42389 hours remaining, 234.308594 MB of memory in use. ENERGY: 3367400 4017.1713 20628.2692 14376.3761 240.0739 -203394.5541 2599.7338 0.0000 0.0000 51978.8980 -109554.0319 298.7234 -161532.9299 -109207.8503 299.1467 74.4518 113.4617 761395.3418 -7.7439 -7.6448 PRESSURE: 3367600 -100.007 -209.544 163.725 -209.543 -126.851 146.617 163.725 146.616 -121.271 GPRESSURE: 3367600 -69.5467 -250.167 73.7072 -188.563 -60.3323 58.9 103.724 3.74512 -126.099 PRESSAVG: 3367600 -18.4815 -22.6739 10.0135 -22.6739 25.8614 44.3497 10.0135 44.3497 -7.38508 GPRESSAVG: 3367600 -18.5355 -22.0183 9.33297 -25.9256 24.9511 42.2289 10.2292 45.5522 -6.84502 TIMING: 3367600 CPU: 10698.3, 0.00316459/step Wall: 10698.3, 0.00316459/step, 1.43497 hours remaining, 234.308594 MB of memory in use. ENERGY: 3367600 4043.3791 20566.3329 14486.3722 244.0701 -203305.9851 2454.2982 0.0000 0.0000 51971.1140 -109540.4187 298.6787 -161511.5327 -109186.9285 299.0366 -116.0432 -85.3259 761229.7188 -0.0017 -0.1431 PRESSURE: 3367800 -3.81847 -309.019 179.804 -309.019 -148.201 -251.244 179.803 -251.244 139.326 GPRESSURE: 3367800 -17.7669 -190.492 196.461 -259.63 -135.554 -270.429 138.101 -280.718 198.599 PRESSAVG: 3367800 68.3776 -71.1648 41.0019 -71.1648 -29.6654 13.6056 41.0019 13.6057 -13.4581 GPRESSAVG: 3367800 69.0164 -72.081 41.3687 -69.0018 -30.1617 13.6449 40.0083 11.583 -13.6561 TIMING: 3367800 CPU: 10698.9, 0.00314342/step Wall: 10698.9, 0.00314342/step, 1.42519 hours remaining, 234.308594 MB of memory in use. ENERGY: 3367800 3968.2481 20626.7502 14501.7682 246.0486 -203258.5088 2341.6265 0.0000 0.0000 52203.9846 -109370.0826 300.0170 -161574.0672 -109010.2136 299.7347 -4.2310 15.0926 761903.9425 8.4180 8.3995 PRESSURE: 3368000 38.1067 46.1115 -64.7524 46.1109 -395.678 -131.081 -64.7519 -131.081 -248.535 GPRESSURE: 3368000 83.8376 -184.575 17.2308 -13.8288 -444.837 -166.051 -118.473 -211.906 -130.8 PRESSAVG: 3368000 12.2535 -30.7224 -12.8006 -30.7223 -9.78858 -53.8725 -12.8007 -53.8725 -6.86388 GPRESSAVG: 3368000 12.0433 -32.0121 -12.9971 -30.3724 -9.80078 -52.6717 -10.9188 -56.9005 -6.31352 TIMING: 3368000 CPU: 10699.6, 0.00315714/step Wall: 10699.6, 0.00315714/step, 1.43124 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3368000 3998.5663 20612.7957 14496.4031 245.3299 -203393.4501 2430.1963 0.0000 0.0000 52284.0912 -109326.0675 300.4774 -161610.1587 -108965.9345 299.9839 -202.0353 -163.9331 760397.7095 -1.4663 -1.3570 PRESSURE: 3368200 -82.3109 -81.9434 21.518 -81.9427 -232.469 282.478 21.5181 282.477 -392.93 GPRESSURE: 3368200 -39.1197 -150.921 -27.2007 -52.4071 -245.511 323.116 50.6496 293.752 -334.181 PRESSAVG: 3368200 -5.62146 14.964 -13.9507 14.9641 7.81887 -53.4857 -13.9506 -53.4858 17.1989 GPRESSAVG: 3368200 -5.38031 14.6997 -13.9136 14.462 6.70409 -54.0471 -13.2958 -51.1368 17.8521 TIMING: 3368200 CPU: 10700.2, 0.00312653/step Wall: 10700.2, 0.00312653/step, 1.41719 hours remaining, 234.308594 MB of memory in use. ENERGY: 3368200 4070.0861 20529.8306 14408.9960 238.4847 -203229.6100 2381.2305 0.0000 0.0000 52215.8722 -109385.1100 300.0853 -161600.9821 -109013.2038 299.8388 -235.9036 -206.2705 762087.6606 6.4654 6.3920 LDB: ============= START OF LOAD BALANCING ============== 10712.6 LDB: ============== END OF LOAD BALANCING =============== 10712.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10712.6 LDB: ============= START OF LOAD BALANCING ============== 10712.9 LDB: Largest compute 7059 load 0.030987 is 15.8% of average load 0.195630 LDB: Average compute 0.004386 is 2.2% of average load 0.195630 LDB: TIME 10712.9 LOAD: AVG 0.19563 MAX 0.216668 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.305 MB LDB: TIME 10712.9 LOAD: AVG 0.19563 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: TIME 10712.9 LOAD: AVG 0.19563 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.305 MB LDB: ============== END OF LOAD BALANCING =============== 10712.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10712.9 PRESSURE: 3368400 3.8649 -75.7125 35.94 -75.7121 -69.0085 -94.0121 35.94 -94.0123 267.67 GPRESSURE: 3368400 29.0839 -111.877 63.7187 -77.8138 -46.129 -125.336 -36.8153 -109.452 330.569 PRESSAVG: 3368400 23.259 -36.2238 6.90838 -36.2238 -45.8348 47.2234 6.90839 47.2234 21.0146 GPRESSAVG: 3368400 22.5688 -35.2132 6.63626 -34.3641 -43.6202 48.6885 5.70465 48.2895 19.9855 TIMING: 3368400 CPU: 10700.8, 0.00320105/step Wall: 10700.8, 0.00320105/step, 1.45078 hours remaining, 232.792969 MB of memory in use. ENERGY: 3368400 3942.7526 20515.7541 14463.2170 235.0620 -203500.5357 2616.5915 0.0000 0.0000 52439.4187 -109287.7397 301.3701 -161727.1584 -108912.6635 300.5344 67.5089 104.5080 761490.1804 -0.5204 -0.3553 PRESSURE: 3368600 179.954 194.403 118.233 194.403 -10.1676 -142.656 118.233 -142.656 -68.1234 GPRESSURE: 3368600 195.625 191.9 150.566 104.935 58.8146 -108.569 -6.5069 -118.363 -52.3073 PRESSAVG: 3368600 48.6587 -38.9608 24.7337 -38.9608 -33.2474 -11.7335 24.7336 -11.7334 -23.7608 GPRESSAVG: 3368600 49.7377 -41.2157 26.4931 -38.5179 -34.9846 -12.2039 23.9649 -11.6859 -23.2379 TIMING: 3368600 CPU: 10701.5, 0.00313816/step Wall: 10701.5, 0.00313816/step, 1.42211 hours remaining, 232.792969 MB of memory in use. ENERGY: 3368600 3957.4426 20545.3139 14478.1160 232.1145 -203670.6880 2963.3191 0.0000 0.0000 52293.6443 -109200.7378 300.5323 -161494.3821 -108832.1741 300.3529 33.8876 67.3775 762999.9633 -2.7832 -2.8282 PRESSURE: 3368800 42.6257 -69.6821 -127.892 -69.6823 -166.7 -60.0386 -127.891 -60.0389 196.055 GPRESSURE: 3368800 -50.8008 -128.946 6.68168 -58.9255 -94.8575 -56.1216 120.161 -146.184 271.615 PRESSAVG: 3368800 28.8106 0.517851 31.3726 0.517873 -23.1145 -14.1882 31.3727 -14.1883 9.21495 GPRESSAVG: 3368800 28.8591 2.1184 29.7183 -1.61529 -22.2263 -13.7222 33.2975 -14.7882 7.52846 TIMING: 3368800 CPU: 10702.1, 0.003157/step Wall: 10702.1, 0.003157/step, 1.43047 hours remaining, 232.792969 MB of memory in use. ENERGY: 3368800 4044.7444 20610.2901 14547.1252 247.3192 -203349.9356 2348.7413 0.0000 0.0000 52360.3490 -109191.3663 300.9156 -161551.7153 -108822.6811 300.6868 23.9935 41.9855 763100.6416 4.9703 4.7204 PRESSURE: 3369000 103.471 -96.634 -52.8295 -96.6342 -206.238 137.58 -52.8292 137.579 -161.21 GPRESSURE: 3369000 244.796 -168.203 -76.7605 -36.489 -272.973 261.779 44.3651 15.0257 -136.535 PRESSAVG: 3369000 38.6468 15.5027 -3.74965 15.5027 8.24111 -27.9566 -3.74957 -27.9567 15.7754 GPRESSAVG: 3369000 38.6786 15.2307 -4.51577 15.9386 6.82464 -30.3333 -3.15839 -25.073 17.0276 TIMING: 3369000 CPU: 10702.7, 0.00315922/step Wall: 10702.7, 0.00315922/step, 1.4313 hours remaining, 232.792969 MB of memory in use. ENERGY: 3369000 3982.7733 20587.2193 14586.3454 229.5755 -203093.2568 2419.1824 0.0000 0.0000 52047.1539 -109241.0071 299.1157 -161288.1609 -108873.2548 300.0063 -87.9923 -54.9038 763263.9884 20.8878 20.8436 PRESSURE: 3369200 -127.614 6.16266 -340.823 6.16219 274.866 -334.412 -340.823 -334.412 25.5171 GPRESSURE: 3369200 -84.8066 1.50696 -410.511 42.9347 328.118 -369.744 -293.092 -289.383 8.4568 PRESSAVG: 3369200 49.2459 -45.7554 14.9769 -45.7554 -44.492 0.059473 14.9769 0.0595366 -4.26916 GPRESSAVG: 3369200 49.1774 -44.4376 13.7882 -45.1406 -43.3411 1.4623 14.3439 -2.93326 -4.92252 TIMING: 3369200 CPU: 10703.3, 0.00314512/step Wall: 10703.3, 0.00314512/step, 1.42474 hours remaining, 232.996094 MB of memory in use. ENERGY: 3369200 3965.0237 20451.3591 14457.2320 249.2584 -202963.9346 2427.2006 0.0000 0.0000 52055.4532 -109358.4077 299.1634 -161413.8609 -109006.1663 299.4914 57.5895 83.9226 762129.7471 0.1616 0.3046 PRESSURE: 3369400 -73.7695 -161.693 -59.2869 -161.693 25.0521 -52.3947 -59.2863 -52.3934 151.529 GPRESSURE: 3369400 42.7193 -97.7034 -14.3814 -226.85 19.9788 -31.6228 -89.0384 -102.93 145.275 PRESSAVG: 3369400 23.2372 -33.9899 -48.1505 -33.9899 -28.4742 -37.8956 -48.1505 -37.8956 -5.38389 GPRESSAVG: 3369400 21.9228 -34.9111 -45.7481 -33.7048 -27.8783 -37.8628 -48.6551 -35.6732 -4.89097 TIMING: 3369400 CPU: 10704, 0.00315339/step Wall: 10704, 0.00315339/step, 1.42831 hours remaining, 232.996094 MB of memory in use. ENERGY: 3369400 3994.3637 20468.1011 14478.4085 237.4958 -203041.0070 2477.9647 0.0000 0.0000 51962.7651 -109421.9082 298.6307 -161384.6733 -109070.3155 299.8268 34.2705 69.3245 761641.3851 -3.5403 -3.6155 PRESSURE: 3369600 -418.554 -27.7803 -31.7663 -27.7795 -65.7068 -140.1 -31.7654 -140.1 289.345 GPRESSURE: 3369600 -333.282 -31.3307 -14.7117 50.2739 -99.9001 -34.4845 -1.25322 -43.5232 293.467 PRESSAVG: 3369600 -3.84531 42.1688 -51.6018 42.1688 -14.5973 45.0925 -51.6019 45.0925 -22.2569 GPRESSAVG: 3369600 -2.15418 44.0719 -51.5346 40.8163 -16.3042 44.3894 -52.8814 43.3424 -22.8561 TIMING: 3369600 CPU: 10704.6, 0.00315291/step Wall: 10704.6, 0.00315291/step, 1.42792 hours remaining, 232.996094 MB of memory in use. ENERGY: 3369600 4056.4140 20623.8943 14492.1570 259.0253 -203235.9977 2485.2630 0.0000 0.0000 51929.4982 -109389.7458 298.4395 -161319.2440 -109036.7387 299.3132 -64.9719 -46.5716 762332.9265 -13.5665 -13.7715 PRESSURE: 3369800 231.436 -59.8579 -37.9183 -59.858 -150.82 187.721 -37.9179 187.721 467.785 GPRESSURE: 3369800 176.189 -60.4939 25.9471 -34.0095 -39.3425 146.904 -1.46644 115.552 486.192 PRESSAVG: 3369800 50.8764 -38.4986 27.9652 -38.4986 -17.5501 6.88244 27.9652 6.88248 23.726 GPRESSAVG: 3369800 50.1052 -40.7061 26.6557 -36.68 -17.6219 7.83688 28.42 6.72551 24.2953 TIMING: 3369800 CPU: 10705.2, 0.0031692/step Wall: 10705.2, 0.0031692/step, 1.43512 hours remaining, 232.996094 MB of memory in use. ENERGY: 3369800 3950.4945 20667.5533 14511.6114 258.4325 -203691.7340 2818.9954 0.0000 0.0000 52189.4193 -109295.2274 299.9333 -161484.6468 -108936.2341 299.5964 182.8003 207.6794 761616.0552 19.0174 18.9262 PRESSURE: 3370000 -28.0898 5.23691 163.179 5.23764 -11.6283 13.319 163.178 13.319 -194.393 GPRESSURE: 3370000 33.2214 -87.8963 170.758 -40.9161 56.1493 -15.8257 76.218 60.0183 -239.415 PRESSAVG: 3370000 -6.92844 -5.70605 22.9861 -5.70603 22.1212 -31.0036 22.9861 -31.0037 9.5055 GPRESSAVG: 3370000 -8.23522 -6.25419 24.0845 -6.19077 22.8509 -33.5289 23.6647 -30.4285 10.0714 TIMING: 3370000 CPU: 10705.9, 0.00316929/step Wall: 10705.9, 0.00316929/step, 1.43498 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3370000 3991.6395 20487.1958 14533.9090 265.5591 -203638.6667 2863.7029 0.0000 0.0000 51993.0081 -109503.6523 298.8045 -161496.6604 -109139.7523 299.6111 -78.0371 -50.0149 761022.1196 8.2328 8.2290 PRESSURE: 3370200 -183.741 250.685 366.455 250.686 36.7835 243.088 366.455 243.088 27.6369 GPRESSURE: 3370200 -45.6456 383.679 334.857 181.664 -15.9386 201.031 417.183 141.559 42.058 PRESSAVG: 3370200 54.3864 -27.7412 63.5228 -27.7412 -34.6722 -22.4435 63.5228 -22.4434 -10.1271 GPRESSAVG: 3370200 54.9084 -25.5088 63.3885 -27.8392 -35.6773 -20.6947 61.8398 -23.8718 -9.79053 TIMING: 3370200 CPU: 10706.5, 0.00312365/step Wall: 10706.5, 0.00312365/step, 1.41415 hours remaining, 232.996094 MB of memory in use. ENERGY: 3370200 3910.8788 20591.3696 14517.1496 268.8710 -203489.0788 2570.9712 0.0000 0.0000 52095.4912 -109534.3473 299.3935 -161629.8385 -109162.9242 299.3236 -39.7734 -6.5087 759349.2945 3.1957 3.1469 PRESSURE: 3370400 346.548 11.9594 148.498 11.9589 -197.972 279.666 148.498 279.665 -37.5898 GPRESSURE: 3370400 344.012 57.3702 22.943 -67.8866 -101.267 271.676 112.165 327.269 -53.4197 PRESSAVG: 3370400 34.7757 -21.732 -2.52608 -21.732 -73.7246 9.54227 -2.52603 9.54229 6.94801 GPRESSAVG: 3370400 34.8859 -23.8062 -2.6879 -21.2881 -73.5982 9.73298 -0.107425 8.98283 6.10352 TIMING: 3370400 CPU: 10707.1, 0.00313388/step Wall: 10707.1, 0.00313388/step, 1.4186 hours remaining, 232.996094 MB of memory in use. ENERGY: 3370400 4005.6062 20509.9436 14488.6636 271.9460 -203273.8457 2431.5717 0.0000 0.0000 52119.8415 -109446.2730 299.5334 -161566.1146 -109084.5445 299.2006 36.9953 63.1083 760446.5064 -10.6670 -10.8696 PRESSURE: 3370600 202.54 -9.76458 66.4628 -9.7646 -9.34668 -53.0906 66.4627 -53.0901 284.975 GPRESSURE: 3370600 271.655 -74.6843 116.714 27.7374 -56.6178 -26.6593 54.6616 -120.985 337.827 PRESSAVG: 3370600 88.2978 13.3601 -29.3918 13.36 -48.2279 16.8009 -29.3918 16.8009 -2.08666 GPRESSAVG: 3370600 88.3232 13.9873 -28.8477 14.2046 -48.1678 16.9164 -30.6643 20.4195 -2.47879 TIMING: 3370600 CPU: 10707.8, 0.00313547/step Wall: 10707.8, 0.00313547/step, 1.41915 hours remaining, 232.996094 MB of memory in use. ENERGY: 3370600 4019.2708 20604.3112 14467.3365 232.2169 -203137.5397 2391.6929 0.0000 0.0000 52073.2641 -109349.4472 299.2658 -161422.7113 -108987.9127 299.5918 159.3892 184.2883 759064.7803 12.6611 12.5588 PRESSURE: 3370800 -175.492 62.3344 285.888 62.3354 -3.9933 -170.981 285.889 -170.98 -272.801 GPRESSURE: 3370800 -173.641 56.142 277.033 38.8973 96.0811 -144.728 54.9341 -186.304 -286.867 PRESSAVG: 3370800 16.7034 -0.515475 21.0339 -0.515446 -5.02586 35.4483 21.0338 35.4481 2.89224 GPRESSAVG: 3370800 16.0218 0.497051 18.0454 -2.88232 -4.72793 35.3837 21.8769 33.2094 4.03063 TIMING: 3370800 CPU: 10708.4, 0.00312964/step Wall: 10708.4, 0.00312964/step, 1.41634 hours remaining, 232.996094 MB of memory in use. ENERGY: 3370800 3966.0750 20593.4463 14457.7606 241.2402 -203345.3703 2362.2300 0.0000 0.0000 52409.0404 -109315.5778 301.1955 -161724.6182 -108948.3361 299.9690 -150.7620 -121.4755 760225.3182 4.8566 5.1082 PRESSURE: 3371000 34.4232 -42.6805 -5.40756 -42.6813 -169.576 393.083 -5.40662 393.083 87.6358 GPRESSURE: 3371000 -17.6869 -59.1067 -78.3481 102.582 -53.5992 418.917 -23.6043 284.886 113.557 PRESSAVG: 3371000 62.3603 -13.7641 23.5617 -13.7641 -39.9114 -23.6232 23.5617 -23.6231 0.861382 GPRESSAVG: 3371000 63.0367 -12.4899 25.704 -11.5132 -39.8745 -25.5971 21.64 -21.5943 -0.0548369 TIMING: 3371000 CPU: 10709, 0.00312913/step Wall: 10709, 0.00312913/step, 1.41593 hours remaining, 232.996094 MB of memory in use. ENERGY: 3371000 4141.5813 20592.9109 14488.8366 244.8026 -203245.9726 2478.6484 0.0000 0.0000 52289.8735 -109009.3193 300.5106 -161299.1928 -108646.5583 300.1554 -15.8391 14.0904 759943.3743 7.7701 7.7024 PRESSURE: 3371200 -170.438 56.4203 -87.5024 56.42 174.001 -264.44 -87.5031 -264.441 174.593 GPRESSURE: 3371200 -144.719 134.966 -22.0509 78.1229 214.332 -324.256 -82.8549 -230.564 202.584 PRESSAVG: 3371200 39.3786 -15.7455 28.7445 -15.7456 -26.553 -13.7333 28.7445 -13.7332 1.18622 GPRESSAVG: 3371200 40.1164 -17.068 27.9333 -16.7921 -26.7317 -11.0263 30.9924 -14.2276 0.64497 TIMING: 3371200 CPU: 10709.6, 0.00312262/step Wall: 10709.6, 0.00312262/step, 1.41281 hours remaining, 232.996094 MB of memory in use. ENERGY: 3371200 4041.0998 20606.8538 14441.5147 245.6710 -202806.4651 2128.8448 0.0000 0.0000 52234.5979 -109107.8831 300.1930 -161342.4810 -108732.2154 301.1446 59.3855 90.7324 761332.7408 4.6706 4.6766 PRESSURE: 3371400 -79.3091 -153.646 -100.626 -153.646 -349.624 -77.1998 -100.627 -77.1986 -96.7207 GPRESSURE: 3371400 -35.4662 -238.382 -40.0356 -121.239 -332.465 -152.299 -141.517 -95.2998 -52.9083 PRESSAVG: 3371400 -19.1834 -64.4443 11.727 -64.4444 -39.6107 14.0737 11.727 14.0736 8.48011 GPRESSAVG: 3371400 -18.5591 -64.6516 13.083 -65.0894 -39.833 13.7935 10.2996 13.8124 8.5691 TIMING: 3371400 CPU: 10710.3, 0.00312196/step Wall: 10710.3, 0.00312196/step, 1.41234 hours remaining, 232.996094 MB of memory in use. ENERGY: 3371400 3998.6555 20643.7940 14519.9596 234.0296 -202820.3192 2052.2124 0.0000 0.0000 52118.8844 -109252.7836 299.5279 -161371.6681 -108888.6906 300.1861 -175.2178 -140.2799 762213.9713 -16.7713 -16.6077 PRESSURE: 3371600 97.337 -114.801 145.006 -114.801 -119.266 -2.21995 145.006 -2.22077 167.423 GPRESSURE: 3371600 128.43 -121.645 121.744 -104.652 -66.9189 13.8764 178.569 39.6139 173.594 PRESSAVG: 3371600 13.8612 -25.9917 50.8318 -25.9917 -1.36231 65.1246 50.8319 65.1246 29.4074 GPRESSAVG: 3371600 11.5848 -26.5917 49.3472 -26.0059 0.208166 65.3841 51.4187 64.0326 30.2162 TIMING: 3371600 CPU: 10710.9, 0.00312095/step Wall: 10710.9, 0.00312095/step, 1.41171 hours remaining, 232.996094 MB of memory in use. ENERGY: 3371600 4028.3334 20522.2372 14499.1210 243.5695 -203447.8101 2692.3490 0.0000 0.0000 52140.9292 -109321.2708 299.6546 -161462.1999 -108958.4987 299.8359 48.4979 78.3681 762452.4123 13.9688 14.0031 PRESSURE: 3371800 51.4208 -243.522 23.736 -243.522 246.137 232.103 23.7361 232.104 -23.1437 GPRESSURE: 3371800 190.72 -144.039 42.9659 -218.886 175.722 231.174 -208.155 -39.4652 -9.98672 PRESSAVG: 3371800 62.3378 5.30971 -16.5224 5.30969 -33.2673 50.9765 -16.5224 50.9765 17.903 GPRESSAVG: 3371800 63.9491 6.3787 -15.8581 5.39236 -34.1015 48.7135 -17.7085 51.0684 16.7347 TIMING: 3371800 CPU: 10711.5, 0.00312434/step Wall: 10711.5, 0.00312433/step, 1.41307 hours remaining, 232.996094 MB of memory in use. ENERGY: 3371800 4056.1179 20474.8235 14521.1547 237.5102 -203218.3971 2578.5548 0.0000 0.0000 52134.9264 -109215.3095 299.6201 -161350.2359 -108852.5910 299.8982 91.4714 118.8184 761498.5365 15.6578 15.5274 PRESSURE: 3372000 290.67 -162.426 16.559 -162.426 -5.71693 -145.364 16.558 -145.363 258.745 GPRESSURE: 3372000 333.754 -74.1427 -7.53339 -211.246 84.3019 2.38966 52.3356 -93.9182 227.432 PRESSAVG: 3372000 43.8665 -4.83558 -14.6759 -4.83556 -43.3113 -17.5324 -14.6759 -17.5324 -2.58441 GPRESSAVG: 3372000 43.5291 -6.28303 -13.2336 -4.16465 -43.0173 -14.5238 -14.4175 -16.9875 -2.33487 TIMING: 3372000 CPU: 10712.1, 0.00312661/step Wall: 10712.1, 0.00312661/step, 1.41392 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3372000 3957.1207 20542.4950 14552.0998 258.1621 -203542.7328 2670.0658 0.0000 0.0000 52124.0839 -109438.7055 299.5578 -161562.7894 -109076.4993 299.6023 181.2328 215.1626 761130.5975 -0.6764 -0.6077 PRESSURE: 3372200 76.7111 -15.0578 -73.2974 -15.0577 -21.9657 26.6589 -73.2969 26.6576 177.323 GPRESSURE: 3372200 141.608 -31.3005 29.4701 6.04751 36.6983 -6.9773 -38.4805 -39.4428 153.403 PRESSAVG: 3372200 22.3837 20.1369 51.1459 20.1369 -18.6279 46.361 51.1459 46.3609 28.8171 GPRESSAVG: 3372200 21.8891 21.6681 51.2877 20.1267 -18.4065 46.1758 51.7306 45.1257 29.6904 TIMING: 3372200 CPU: 10712.8, 0.00313046/step Wall: 10712.8, 0.00313046/step, 1.41549 hours remaining, 232.996094 MB of memory in use. ENERGY: 3372200 3959.5015 20566.6631 14557.7131 238.2756 -203661.5263 2763.0049 0.0000 0.0000 52419.5900 -109156.7780 301.2561 -161576.3681 -108784.5023 300.0383 77.3560 110.5698 761416.0211 10.8576 11.0577 LDB: ============= START OF LOAD BALANCING ============== 10725.2 LDB: ============== END OF LOAD BALANCING =============== 10725.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10725.2 LDB: ============= START OF LOAD BALANCING ============== 10725.5 LDB: Largest compute 7078 load 0.032567 is 16.6% of average load 0.195608 LDB: Average compute 0.004405 is 2.3% of average load 0.195608 LDB: TIME 10725.5 LOAD: AVG 0.195608 MAX 0.216994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.305 MB LDB: TIME 10725.5 LOAD: AVG 0.195608 MAX 0.216994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: TIME 10725.5 LOAD: AVG 0.195608 MAX 0.216994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: ============== END OF LOAD BALANCING =============== 10725.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10725.5 PRESSURE: 3372400 -79.6958 249.824 46.3743 249.824 -138.137 356.095 46.374 356.096 141.602 GPRESSURE: 3372400 6.32464 274.306 36.6444 210.428 -88.729 356.432 0.871147 275.936 96.2113 PRESSAVG: 3372400 2.68891 29.4892 -5.80492 29.4892 18.0603 7.5873 -5.80492 7.58731 -20.0393 GPRESSAVG: 3372400 4.48217 28.4052 -6.5314 29.81 16.7117 6.83685 -6.96815 8.07474 -20.7994 TIMING: 3372400 CPU: 10713.4, 0.00320983/step Wall: 10713.4, 0.00320983/step, 1.4512 hours remaining, 234.652344 MB of memory in use. ENERGY: 3372400 3953.2801 20591.1461 14583.3547 246.7580 -203628.1498 2606.5616 0.0000 0.0000 52346.3758 -109300.6735 300.8353 -161647.0492 -108929.3893 300.1991 -25.4104 4.6023 761204.2217 0.2366 0.1315 PRESSURE: 3372600 -253.06 37.8505 -76.8971 37.8501 -216.326 -320.507 -76.8977 -320.507 104.371 GPRESSURE: 3372600 -234.949 -91.6925 -178.042 -92.1684 -85.6153 -327.896 81.7127 -152.92 56.8899 PRESSAVG: 3372600 -9.39629 6.13675 -12.3804 6.13671 -9.90342 -19.2247 -12.3804 -19.2247 -18.0129 GPRESSAVG: 3372600 -11.1531 6.44744 -12.0292 3.47693 -8.2354 -18.7333 -12.5698 -19.3195 -17.8082 TIMING: 3372600 CPU: 10714, 0.00313952/step Wall: 10714, 0.00313952/step, 1.41924 hours remaining, 234.851562 MB of memory in use. ENERGY: 3372600 4010.5396 20511.5374 14472.1695 245.4434 -203256.7840 2489.1150 0.0000 0.0000 52065.3218 -109462.6574 299.2201 -161527.9792 -109109.4356 299.8328 -121.6719 -87.8915 762441.8872 -12.4375 -12.3989 PRESSURE: 3372800 124.963 41.8963 -131.478 41.8959 -25.4997 56.2216 -131.478 56.2217 65.4816 GPRESSURE: 3372800 120.647 97.1634 -110.849 89.8372 60.8208 103.605 -223.067 -23.228 78.1984 PRESSAVG: 3372800 -10.6648 -18.5351 40.1577 -18.5351 -11.9263 45.77 40.1577 45.7701 0.914792 GPRESSAVG: 3372800 -10.4523 -16.914 39.5201 -17.0577 -12.2756 44.8906 39.057 45.9261 0.575178 TIMING: 3372800 CPU: 10714.6, 0.00313061/step Wall: 10714.6, 0.00313061/step, 1.41503 hours remaining, 234.851562 MB of memory in use. ENERGY: 3372800 3941.3786 20665.6552 14395.7354 249.0983 -203516.7937 2710.2490 0.0000 0.0000 51965.0158 -109589.6613 298.6437 -161554.6771 -109246.4417 299.3499 54.9818 86.5553 759875.6248 -7.2254 -7.3842 PRESSURE: 3373000 -428.4 4.86486 -7.04398 4.86454 -257.632 95.8821 -7.04435 95.8827 -74.7369 GPRESSURE: 3373000 -391.359 28.5906 -66.1214 13.3868 -251.734 16.1445 6.28902 177.452 -24.3228 PRESSAVG: 3373000 -2.95505 0.250758 -33.3362 0.250683 -15.0603 55.4035 -33.3362 55.4035 11.693 GPRESSAVG: 3373000 -2.47122 -1.2719 -34.7094 1.54742 -14.4775 55.6038 -32.9542 53.1823 11.6297 TIMING: 3373000 CPU: 10715.3, 0.0031208/step Wall: 10715.3, 0.0031208/step, 1.41043 hours remaining, 234.851562 MB of memory in use. ENERGY: 3373000 4021.7481 20623.3753 14408.8807 242.5760 -203612.9963 2559.5250 0.0000 0.0000 52029.5853 -109727.3058 299.0147 -161756.8912 -109363.1956 299.3001 -253.5898 -222.4720 761025.2030 -2.1074 -1.7730 PRESSURE: 3373200 357.256 -6.71551 -118.881 -6.716 -216.037 151.974 -118.882 151.974 100.161 GPRESSURE: 3373200 379.383 -15.2932 -21.7372 -91.8105 -120.191 103.281 -87.3135 194.602 79.0996 PRESSAVG: 3373200 33.1395 8.26648 -35.6074 8.26653 5.13261 33.807 -35.6074 33.807 6.13599 GPRESSAVG: 3373200 33.1361 9.16509 -32.5908 6.8861 4.12077 32.4566 -34.8709 37.5629 6.7058 TIMING: 3373200 CPU: 10715.9, 0.00312965/step Wall: 10715.9, 0.00312965/step, 1.41425 hours remaining, 234.921875 MB of memory in use. ENERGY: 3373200 3952.6644 20569.2515 14505.2532 237.2686 -203259.1732 2410.5091 0.0000 0.0000 52075.5761 -109508.6502 299.2791 -161584.2264 -109139.3934 299.3685 80.4601 112.7641 759535.6953 14.8027 14.6542 PRESSURE: 3373400 -208.567 164.69 -105.807 164.691 108.034 17.7789 -105.807 17.7793 -149.418 GPRESSURE: 3373400 -136.808 87.2509 -108.329 97.3848 124.934 40.1774 -224.456 -61.7431 -147.374 PRESSAVG: 3373400 -10.9453 11.4003 95.7575 11.4003 -8.54576 47.4908 95.7575 47.4908 -1.53584 GPRESSAVG: 3373400 -10.8141 11.4987 93.9399 9.74887 -8.6185 48.0092 95.7631 47.823 -1.70677 TIMING: 3373400 CPU: 10716.5, 0.00313732/step Wall: 10716.5, 0.00313732/step, 1.41755 hours remaining, 234.921875 MB of memory in use. ENERGY: 3373400 4045.0728 20570.7184 14399.3748 254.3483 -203634.6989 2622.7675 0.0000 0.0000 52401.0404 -109341.3768 301.1495 -161742.4172 -108971.0094 299.9258 -83.3170 -53.0825 760821.8650 -7.0090 -7.0465 PRESSURE: 3373600 153.494 -74.0638 299.511 -74.0639 11.1539 227.929 299.511 227.929 -22.8965 GPRESSURE: 3373600 106.613 -155.119 285.925 -6.4845 119.248 226.509 354.549 152.144 4.1844 PRESSAVG: 3373600 24.8253 -1.89265 48.5274 -1.89265 -47.0229 16.4239 48.5273 16.4239 -6.69078 GPRESSAVG: 3373600 24.7766 -3.98438 47.7853 1.04532 -47.3725 16.2222 49.9276 14.494 -6.46447 TIMING: 3373600 CPU: 10717.2, 0.00313407/step Wall: 10717.2, 0.00313407/step, 1.4159 hours remaining, 234.921875 MB of memory in use. ENERGY: 3373600 4062.4343 20612.4371 14469.6456 233.3193 -203852.5582 2817.0811 0.0000 0.0000 52387.5833 -109270.0576 301.0722 -161657.6409 -108904.3502 300.3621 47.2503 76.6819 759279.9258 -9.6295 -9.6868 PRESSURE: 3373800 174.333 -77.211 60.732 -77.2105 -55.8796 -176.313 60.7322 -176.314 -422.839 GPRESSURE: 3373800 214.789 -67.5318 154.378 -109.703 -48.5483 -105.064 -81.8812 -165.647 -378.853 PRESSAVG: 3373800 -12.7191 -46.6326 -7.40259 -46.6326 -1.78605 65.3817 -7.4026 65.3817 11.4767 GPRESSAVG: 3373800 -13.9478 -46.0399 -6.51623 -48.3667 -0.776842 67.2224 -7.88098 66.7983 11.4901 TIMING: 3373800 CPU: 10717.8, 0.00313223/step Wall: 10717.8, 0.00313223/step, 1.4149 hours remaining, 234.921875 MB of memory in use. ENERGY: 3373800 4017.1340 20632.5445 14446.9751 249.7571 -203205.6439 2416.8847 0.0000 0.0000 52384.3149 -109058.0335 301.0534 -161442.3484 -108698.5390 300.3977 -101.4620 -70.8711 761575.8912 -1.0095 -1.0782 PRESSURE: 3374000 -637.946 -8.99833 36.7792 -8.99838 -824.968 -104.29 36.7772 -104.29 -141.303 GPRESSURE: 3374000 -606.384 19.5152 25.7616 28.213 -725.673 -85.7881 23.2295 -22.6553 -204.188 PRESSAVG: 3374000 -6.17699 -25.5444 46.8905 -25.5444 -19.3717 14.9145 46.8904 14.9144 22.6085 GPRESSAVG: 3374000 -4.14018 -23.6028 46.5594 -25.2075 -20.1012 14.0369 46.0658 15.5286 21.2959 TIMING: 3374000 CPU: 10718.4, 0.00312619/step Wall: 10718.4, 0.00312619/step, 1.412 hours remaining, 234.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3374000 4070.9334 20560.8161 14403.1118 233.8643 -202683.1972 2056.9775 0.0000 0.0000 52173.2355 -109184.2586 299.8403 -161357.4941 -108814.2354 300.3183 -534.7388 -512.0819 764635.1246 -0.9801 -0.9819 PRESSURE: 3374200 170.241 175.882 397.786 175.881 46.851 21.3403 397.787 21.3394 -2.17768 GPRESSURE: 3374200 206.195 164.818 416.336 182.329 14.8541 -43.0612 344.06 58.6281 111.37 PRESSAVG: 3374200 0.515773 63.2438 -4.71298 63.2439 9.13182 24.4996 -4.71297 24.4997 -5.58997 GPRESSAVG: 3374200 -0.428786 62.9587 -2.89375 62.3755 9.7145 24.5612 -6.66878 23.6522 -4.71106 TIMING: 3374200 CPU: 10719, 0.00312968/step Wall: 10719, 0.00312968/step, 1.4134 hours remaining, 234.921875 MB of memory in use. ENERGY: 3374200 4067.8963 20602.7796 14459.1654 244.2424 -203860.3263 2793.1284 0.0000 0.0000 52463.4103 -109229.7040 301.5079 -161693.1143 -108866.8776 300.3915 71.6382 110.8064 760325.5595 1.3525 1.5249 PRESSURE: 3374400 -295.908 -88.8552 138.813 -88.855 -46.4468 192.305 138.814 192.306 17.9971 GPRESSURE: 3374400 -243.782 -88.4604 155.215 -158.363 -46.3918 190.644 179.718 247.516 46.3364 PRESSAVG: 3374400 34.1648 -39.3188 -17.5326 -39.3188 -30.0377 -3.58041 -17.5326 -3.58039 11.9117 GPRESSAVG: 3374400 33.9079 -41.6085 -17.2785 -35.7899 -29.2282 -4.39352 -16.2415 -3.44732 11.9646 TIMING: 3374400 CPU: 10719.7, 0.0031435/step Wall: 10719.7, 0.0031435/step, 1.41947 hours remaining, 234.921875 MB of memory in use. ENERGY: 3374400 3927.3717 20526.9850 14500.2564 254.0857 -203501.2744 2622.7346 0.0000 0.0000 52332.2344 -109337.6064 300.7541 -161669.8409 -108966.3994 300.0753 -108.1191 -81.2792 761685.8847 5.3463 5.5481 PRESSURE: 3374600 -165.312 -157.266 54.326 -157.265 196.323 229.065 54.3258 229.066 -113.688 GPRESSURE: 3374600 -61.7743 -52.9921 12.0971 -102.865 211.807 199.442 140.224 150.47 -131.13 PRESSAVG: 3374600 73.1398 -45.8355 39.1958 -45.8355 -78.778 11.8276 39.1959 11.8277 13.1307 GPRESSAVG: 3374600 74.8659 -43.0763 36.8505 -48.5665 -79.9156 11.741 39.1798 11.7911 12.1559 TIMING: 3374600 CPU: 10720.3, 0.00314202/step Wall: 10720.3, 0.00314202/step, 1.41862 hours remaining, 234.921875 MB of memory in use. ENERGY: 3374600 4009.9695 20470.5335 14457.7006 239.3189 -202924.7343 2280.3507 0.0000 0.0000 52059.1132 -109407.7479 299.1844 -161466.8610 -109045.5065 299.6468 -27.5591 6.3009 760284.8381 2.4975 2.3687 PRESSURE: 3374800 -403.705 -176.111 -168.215 -176.111 -246.309 -28.2863 -168.215 -28.2872 -33.7787 GPRESSURE: 3374800 -381.248 -268.959 -237.805 -259.007 -125.755 17.4376 -210.929 14.8073 -81.3061 PRESSAVG: 3374800 10.3066 -42.6325 29.675 -42.6326 4.95266 31.6687 29.6751 31.6687 -25.4373 GPRESSAVG: 3374800 8.58496 -44.3663 30.5529 -40.7946 4.25729 33.4752 29.7204 29.8672 -23.3435 TIMING: 3374800 CPU: 10720.9, 0.00313053/step Wall: 10720.9, 0.00313053/step, 1.41326 hours remaining, 234.921875 MB of memory in use. ENERGY: 3374800 3992.1448 20471.0263 14466.7287 246.5121 -203152.2829 2388.9467 0.0000 0.0000 52175.1063 -109411.8180 299.8511 -161586.9243 -109045.8692 299.7524 -227.9309 -196.1030 761719.4796 -3.3927 -3.5004 PRESSURE: 3375000 35.4718 136.125 131.295 136.126 -220.755 149.991 131.295 149.991 372.534 GPRESSURE: 3375000 99.0373 49.0535 113.5 147.738 -255.555 133.536 57.2421 176.638 421.67 PRESSAVG: 3375000 28.9178 -29.1662 80.9127 -29.1662 -51.2407 38.5374 80.9127 38.5374 7.40614 GPRESSAVG: 3375000 29.1049 -26.4745 80.8925 -33.0594 -50.1762 37.0983 78.8175 40.7371 6.01875 TIMING: 3375000 CPU: 10721.5, 0.00312825/step Wall: 10721.5, 0.00312825/step, 1.41206 hours remaining, 234.921875 MB of memory in use. ENERGY: 3375000 3925.9308 20450.7733 14412.2209 263.4492 -203210.5115 2489.2359 0.0000 0.0000 52186.8312 -109482.0701 299.9184 -161668.9013 -109120.9044 299.3333 62.4169 88.3844 761292.6448 -4.9722 -5.0175 PRESSURE: 3375200 261.585 -56.0699 -8.81972 -56.07 -138.174 28.9818 -8.81979 28.9824 396.818 GPRESSURE: 3375200 266.351 -25.3168 67.6061 -81.7056 1.54984 122.19 24.5946 68.1897 337.453 PRESSAVG: 3375200 47.2893 -46.8156 36.7998 -46.8156 -43.1758 42.4621 36.7998 42.462 -24.1495 GPRESSAVG: 3375200 49.3022 -48.0603 36.7146 -42.4977 -44.2256 43.2788 38.5142 41.1951 -24.4586 TIMING: 3375200 CPU: 10722.2, 0.00315705/step Wall: 10722.2, 0.00315705/step, 1.42488 hours remaining, 234.921875 MB of memory in use. ENERGY: 3375200 3987.3521 20443.1029 14421.2514 228.4749 -203253.8295 2755.2688 0.0000 0.0000 51750.5841 -109667.7953 297.4113 -161418.3794 -109306.7839 299.3822 173.4094 201.7849 762670.9203 -6.6787 -6.4607 PRESSURE: 3375400 -272.912 -170.486 -146.577 -170.485 -295.361 -61.6722 -146.577 -61.6726 -54.0256 GPRESSURE: 3375400 -313.442 -98.6294 -23.2704 -137.908 -179.886 -102.876 -136.301 -5.3852 -36.0908 PRESSAVG: 3375400 12.8497 -37.293 18.7215 -37.2931 -13.4217 -10.329 18.7215 -10.3289 -0.87215 GPRESSAVG: 3375400 11.3728 -38.2319 19.7248 -38.7959 -13.0135 -10.8662 18.2418 -9.83582 0.535945 TIMING: 3375400 CPU: 10722.8, 0.00314228/step Wall: 10722.8, 0.00314228/step, 1.41804 hours remaining, 234.921875 MB of memory in use. ENERGY: 3375400 3951.7463 20369.9998 14537.3046 243.4247 -203069.8910 2282.5974 0.0000 0.0000 51775.2659 -109909.5524 297.5532 -161684.8183 -109541.0767 298.6716 -207.4331 -176.4731 760380.2668 -0.4814 -0.3683 PRESSURE: 3375600 2.93068 -114.002 1.76423 -114.002 -137.56 -195.521 1.76404 -195.521 -154.104 GPRESSURE: 3375600 14.4804 -0.49967 6.37335 -128.967 -78.2057 -90.5687 76.9502 -68.5998 -144.99 PRESSAVG: 3375600 -36.584 -5.31673 -17.1367 -5.31674 19.0904 -11.5854 -17.1366 -11.5854 -7.80984 GPRESSAVG: 3375600 -36.8613 -4.48232 -17.9803 -3.76397 19.607 -10.2732 -17.7556 -11.3662 -8.48137 TIMING: 3375600 CPU: 10723.4, 0.00312511/step Wall: 10723.4, 0.00312511/step, 1.41012 hours remaining, 234.921875 MB of memory in use. ENERGY: 3375600 3960.3403 20479.9955 14398.4450 233.8262 -203451.1712 2552.0390 0.0000 0.0000 51951.3644 -109875.1608 298.5652 -161826.5252 -109510.2508 298.0532 -96.2442 -69.5717 762825.3164 -8.4345 -8.5785 PRESSURE: 3375800 -65.1527 -55.6714 -39.1637 -55.6712 -169.748 -181.314 -39.1629 -181.315 -425.373 GPRESSURE: 3375800 -70.853 -62.4896 -48.162 -38.5653 -144.801 -249.88 22.0318 -91.7349 -344.764 PRESSAVG: 3375800 -1.5272 -44.8006 23.554 -44.8006 -33.5715 4.79934 23.5541 4.79933 28.4176 GPRESSAVG: 3375800 -0.966893 -43.9398 24.6636 -46.5199 -34.0974 4.7696 23.0027 5.37764 28.8863 TIMING: 3375800 CPU: 10724.1, 0.00313881/step Wall: 10724.1, 0.00313881/step, 1.41613 hours remaining, 234.921875 MB of memory in use. ENERGY: 3375800 4055.9242 20271.2047 14521.5667 234.0577 -203507.6236 2743.0351 0.0000 0.0000 51997.0826 -109684.7524 298.8279 -161681.8351 -109329.8689 298.6427 -220.0911 -186.8060 761699.9504 -2.2270 -2.0593 PRESSURE: 3376000 -265.52 22.0793 -130.657 22.0792 68.3796 124.006 -130.658 124.007 -145.212 GPRESSURE: 3376000 -241.574 -69.8229 -120.681 12.1863 134.687 108.221 -235.066 132.39 -131.721 PRESSAVG: 3376000 9.15772 -53.1107 -13.528 -53.1106 -26.807 19.7865 -13.528 19.7865 -33.717 GPRESSAVG: 3376000 9.1704 -53.8816 -14.1612 -55.9955 -26.1212 17.5682 -12.3744 20.078 -34.2 TIMING: 3376000 CPU: 10724.7, 0.00315505/step Wall: 10724.7, 0.00315505/step, 1.42328 hours remaining, 234.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3376000 4007.4794 20497.8158 14472.6534 246.6742 -203341.2941 2384.1404 0.0000 0.0000 51750.1131 -109982.4177 297.4086 -161732.5308 -109617.9265 298.3507 -114.1175 -79.5360 760564.6351 -17.1221 -17.0503 PRESSURE: 3376200 -195.613 -45.6898 -63.2409 -45.6893 293.791 -77.1852 -63.241 -77.1864 -311.63 GPRESSURE: 3376200 -131.26 16.7135 -52.4216 -116.886 246.219 -145.494 -3.34253 -71.9769 -239.601 PRESSAVG: 3376200 68.5791 18.6177 -24.2327 18.6177 -10.2856 6.96774 -24.2327 6.96764 34.5876 GPRESSAVG: 3376200 68.9883 19.9561 -24.2768 20.5732 -10.1279 7.73647 -24.6473 8.082 34.3471 TIMING: 3376200 CPU: 10725.3, 0.00314702/step Wall: 10725.3, 0.00314702/step, 1.41948 hours remaining, 234.921875 MB of memory in use. ENERGY: 3376200 4075.9086 20391.4945 14453.3252 248.5286 -203789.6943 2540.8850 0.0000 0.0000 51840.4950 -110239.0575 297.9280 -162079.5525 -109885.2403 298.1026 -71.1506 -41.5475 759966.1213 30.9604 31.0692 LDB: ============= START OF LOAD BALANCING ============== 10737.7 LDB: ============== END OF LOAD BALANCING =============== 10737.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10737.7 LDB: ============= START OF LOAD BALANCING ============== 10738.1 LDB: Largest compute 7078 load 0.031349 is 16.0% of average load 0.195575 LDB: Average compute 0.004376 is 2.2% of average load 0.195575 LDB: TIME 10738.1 LOAD: AVG 0.195575 MAX 0.216448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 10738.1 LOAD: AVG 0.195575 MAX 0.216448 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 10738.1 LOAD: AVG 0.195575 MAX 0.216448 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 10738.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10738.1 PRESSURE: 3376400 65.2719 -15.9234 -46.9969 -15.9241 -271.27 -128.587 -46.9971 -128.587 -64.5163 GPRESSURE: 3376400 105.511 -14.1955 -101.136 33.8182 -262.772 -211.75 -106.223 -167.515 -39.0748 PRESSAVG: 3376400 29.9756 -61.7813 15.2917 -61.7813 -15.918 37.213 15.2917 37.2129 -19.5334 GPRESSAVG: 3376400 30.6586 -63.2503 14.9571 -61.2141 -17.0466 37.6483 16.3004 33.8655 -19.0813 TIMING: 3376400 CPU: 10726, 0.00321852/step Wall: 10726, 0.00321852/step, 1.45155 hours remaining, 232.785156 MB of memory in use. ENERGY: 3376400 3985.3857 20343.7623 14435.1875 233.7999 -203825.7653 2664.7081 0.0000 0.0000 52046.1837 -110116.7380 299.1101 -162162.9218 -109750.7593 297.6060 -90.1716 -65.4453 761635.1291 -1.8253 -1.8231 PRESSURE: 3376600 -41.2855 -42.6641 -96.4255 -42.6642 -44.3421 188.835 -96.4241 188.836 121.375 GPRESSURE: 3376600 20.4482 -206.754 -49.2057 106.541 -29.0568 137.843 -54.6748 47.582 150.293 PRESSAVG: 3376600 60.2367 -5.74741 26.2447 -5.74739 5.11112 -3.76128 26.2447 -3.76139 3.40413 GPRESSAVG: 3376600 60.0322 -5.54208 26.5385 -4.35841 5.80348 -3.77672 24.5681 -2.64497 2.47651 TIMING: 3376600 CPU: 10726.6, 0.003156/step Wall: 10726.6, 0.003156/step, 1.42318 hours remaining, 232.925781 MB of memory in use. ENERGY: 3376600 3941.6895 20567.3201 14403.2399 252.9337 -203774.8047 2712.9858 0.0000 0.0000 51976.7067 -109919.9290 298.7108 -161896.6357 -109559.1096 298.6047 11.9158 47.2281 759761.1239 22.9173 22.7707 PRESSURE: 3376800 -131.315 46.1272 -114.278 46.1274 -122.37 2.14533 -114.278 2.14595 9.791 GPRESSURE: 3376800 -38.51 72.8317 -111.315 -35.0099 -170.841 -40.7519 -80.0894 6.14542 34.3496 PRESSAVG: 3376800 51.9521 -62.2188 -49.1293 -62.2187 -26.7607 25.4694 -49.1293 25.4693 -27.2356 GPRESSAVG: 3376800 52.1554 -61.7094 -47.6213 -64.9262 -27.093 25.5377 -48.1978 24.2771 -27.2113 TIMING: 3376800 CPU: 10727.2, 0.00314452/step Wall: 10727.2, 0.00314452/step, 1.41783 hours remaining, 232.925781 MB of memory in use. ENERGY: 3376800 3926.1031 20605.9790 14441.7349 234.9197 -203580.3104 2389.4041 0.0000 0.0000 51917.9854 -110064.1842 298.3734 -161982.1696 -109702.5076 298.3872 -81.2982 -58.3338 759857.8710 -0.6814 -0.7163 PRESSURE: 3377000 86.5328 216.312 -125.672 216.311 132.606 107.815 -125.671 107.814 19.3176 GPRESSURE: 3377000 -34.3496 206.106 -117.325 69.5473 253.267 28.3918 -71.353 121.367 93.1684 PRESSAVG: 3377000 54.2465 -51.5185 3.30459 -51.5185 -22.7917 -16.4023 3.30463 -16.4024 0.979838 GPRESSAVG: 3377000 54.0319 -53.9658 1.95778 -50.8631 -23.5022 -15.9711 3.85824 -13.6056 2.0393 TIMING: 3377000 CPU: 10727.8, 0.00316146/step Wall: 10727.8, 0.00316146/step, 1.42529 hours remaining, 232.925781 MB of memory in use. ENERGY: 3377000 3931.0589 20390.8697 14494.3486 252.1528 -203480.1100 2246.3360 0.0000 0.0000 52108.0400 -110057.3040 299.4656 -162165.3440 -109683.7851 298.6754 79.4855 104.0287 759331.9966 10.8116 10.8563 PRESSURE: 3377200 -145.276 36.0468 78.2065 36.0479 -419.764 -238.093 78.2068 -238.093 327.997 GPRESSURE: 3377200 -113.643 -28.2244 0.204632 95.0302 -271.053 -266.629 57.1546 -202.579 247.245 PRESSAVG: 3377200 37.351 -0.674825 -71.9207 -0.674807 -22.812 10.3029 -71.9207 10.3029 4.28773 GPRESSAVG: 3377200 36.3532 -0.985306 -70.5309 0.645685 -21.5007 10.0963 -72.4869 8.68953 3.95099 TIMING: 3377200 CPU: 10728.5, 0.00315602/step Wall: 10728.5, 0.00315602/step, 1.42267 hours remaining, 232.925781 MB of memory in use. ENERGY: 3377200 3947.9543 20478.2879 14414.3668 241.4566 -202938.2413 2082.8228 0.0000 0.0000 51854.0977 -109919.2552 298.0062 -161773.3529 -109562.9885 298.4809 -79.0142 -45.8173 760429.0216 6.2756 6.2678 PRESSURE: 3377400 -2.32397 111.399 184.259 111.398 211.319 148.142 184.259 148.142 166.955 GPRESSURE: 3377400 72.6407 47.0789 207.953 125.279 184.78 42.6442 96.769 205.925 223.107 PRESSAVG: 3377400 4.03386 -36.9763 -13.2615 -36.9763 30.704 8.00323 -13.2616 8.00328 10.1328 GPRESSAVG: 3377400 4.86694 -34.7312 -14.1405 -38.0081 29.3074 7.57986 -12.5232 8.76803 10.7626 TIMING: 3377400 CPU: 10729.1, 0.00313552/step Wall: 10729.1, 0.00313552/step, 1.41325 hours remaining, 232.925781 MB of memory in use. ENERGY: 3377400 3940.7612 20561.4469 14436.4301 236.8783 -203524.5349 2617.6791 0.0000 0.0000 51943.0992 -109788.2400 298.5177 -161731.3393 -109436.2206 298.6259 125.3165 160.1759 758776.5444 14.9569 14.9790 PRESSURE: 3377600 -82.8976 176.46 157.939 176.46 204.007 -26.5897 157.939 -26.5896 1.97975 GPRESSURE: 3377600 39.042 83.3675 216.208 91.8541 149.709 -55.9282 156.017 -6.71917 3.85601 PRESSAVG: 3377600 -10.3879 -12.3064 -21.3314 -12.3065 23.819 -23.4352 -21.3315 -23.4352 -3.84485 GPRESSAVG: 3377600 -10.0385 -14.9497 -21.6296 -12.4778 23.6747 -24.4754 -21.7054 -23.7345 -4.47707 TIMING: 3377600 CPU: 10729.7, 0.00314541/step Wall: 10729.7, 0.00314541/step, 1.41753 hours remaining, 232.925781 MB of memory in use. ENERGY: 3377600 3952.0736 20352.4093 14449.3055 265.8126 -203013.7609 2266.1318 0.0000 0.0000 51881.9351 -109846.0930 298.1662 -161728.0281 -109486.0743 298.9175 41.0298 64.2023 761556.2560 3.1954 3.0530 PRESSURE: 3377800 -235.049 -48.4789 188.204 -48.478 -187.744 15.3717 188.204 15.3717 70.8348 GPRESSURE: 3377800 -235.831 -51.4326 301.564 -239.367 -143.346 7.84781 117.437 62.1981 116.915 PRESSAVG: 3377800 27.5415 -2.34496 23.5892 -2.34496 -3.553 -83.4995 23.5891 -83.4995 13.3784 GPRESSAVG: 3377800 27.4665 -1.0543 24.444 0.092707 -3.77492 -81.969 23.8908 -83.5231 13.9405 TIMING: 3377800 CPU: 10730.4, 0.00315007/step Wall: 10730.4, 0.00315007/step, 1.41946 hours remaining, 232.925781 MB of memory in use. ENERGY: 3377800 3968.3022 20409.7432 14485.8312 235.7445 -202771.8758 2192.1368 0.0000 0.0000 51874.0828 -109606.0350 298.1211 -161480.1178 -109252.1341 298.3966 -117.3195 -87.4208 760602.1811 12.4556 12.5440 PRESSURE: 3378000 13.5904 70.8799 61.5272 70.8793 79.9997 -29.4473 61.5268 -29.4478 104.347 GPRESSURE: 3378000 51.7864 30.6689 33.4834 -54.6026 157.059 -4.84262 228.82 -49.5003 63.1977 PRESSAVG: 3378000 45.1849 -9.62341 31.7925 -9.62334 -27.0574 17.6416 31.7925 17.6416 5.63886 GPRESSAVG: 3378000 44.7572 -8.85502 29.9725 -11.0314 -26.3695 16.6135 31.5272 18.0022 5.42169 TIMING: 3378000 CPU: 10731, 0.00314691/step Wall: 10731, 0.00314691/step, 1.41786 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3378000 3891.5664 20482.6854 14451.0820 264.4988 -202881.9580 2205.7874 0.0000 0.0000 51807.9701 -109778.3679 297.7411 -161586.3380 -109411.6670 298.9184 65.9791 90.6810 761708.1898 7.9221 7.9364 PRESSURE: 3378200 39.0389 -36.5387 -55.7608 -36.5383 -115.37 -269.405 -55.7612 -269.406 29.4818 GPRESSURE: 3378200 74.8901 -50.6548 -130.533 -12.9617 -47.0258 -308.031 -0.438067 -183.266 3.09211 PRESSAVG: 3378200 8.28741 -24.9766 13.0112 -24.9766 -39.8126 -38.1228 13.0112 -38.1228 -7.45377 GPRESSAVG: 3378200 9.87715 -25.8539 14.9423 -24.5447 -39.7997 -38.1328 13.5216 -37.8399 -9.33162 TIMING: 3378200 CPU: 10731.6, 0.00313043/step Wall: 10731.6, 0.00313043/step, 1.41026 hours remaining, 232.925781 MB of memory in use. ENERGY: 3378200 3897.5213 20509.9474 14434.2590 257.9301 -203227.3348 2397.8977 0.0000 0.0000 51894.9482 -109834.8311 298.2410 -161729.7793 -109476.3441 298.8045 -15.6165 10.3188 761323.8317 -12.9930 -13.0847 PRESSURE: 3378400 -438.56 -39.1762 239.352 -39.1762 60.5153 134.825 239.353 134.826 -46.0328 GPRESSURE: 3378400 -332.281 39.2609 266.872 -2.71724 55.1388 141.012 138.877 173.459 -80.3525 PRESSAVG: 3378400 0.674588 -42.5977 -26.9651 -42.5977 -26.3858 25.6488 -26.9651 25.6487 -9.13355 GPRESSAVG: 3378400 -0.286707 -41.5072 -27.4892 -44.2412 -27.2587 24.3738 -28.4332 24.0458 -7.69347 TIMING: 3378400 CPU: 10732.2, 0.00313463/step Wall: 10732.2, 0.00313463/step, 1.41197 hours remaining, 232.925781 MB of memory in use. ENERGY: 3378400 3997.8865 20410.6973 14428.5959 242.1290 -203721.5758 2607.2639 0.0000 0.0000 52199.0013 -109836.0019 299.9884 -162035.0032 -109475.6144 298.3416 -141.3592 -119.1649 760108.8360 -11.6149 -11.7463 PRESSURE: 3378600 412.812 -272.584 -76.3344 -272.583 475.155 -235.096 -76.3349 -235.096 214.947 GPRESSURE: 3378600 492.421 -194.185 5.56358 -229.78 453.766 -220.102 -139.069 -309.531 243.105 PRESSAVG: 3378600 22.8275 -37.4988 -38.1785 -37.4987 -37.8124 -26.903 -38.1785 -26.903 6.48023 GPRESSAVG: 3378600 23.7399 -36.5631 -39.0445 -36.5589 -37.4013 -26.0244 -36.311 -24.4046 5.14734 TIMING: 3378600 CPU: 10732.9, 0.00312903/step Wall: 10732.9, 0.00312903/step, 1.40928 hours remaining, 232.925781 MB of memory in use. ENERGY: 3378600 3985.4918 20472.7379 14482.8017 242.6959 -203767.4898 2750.2338 0.0000 0.0000 51967.9602 -109865.5686 298.6606 -161833.5288 -109508.6446 298.7061 367.6378 396.4305 758625.7380 -2.8349 -2.8380 PRESSURE: 3378800 92.5612 115.114 -125.19 115.114 -39.1059 -33.6264 -125.19 -33.6277 11.7564 GPRESSURE: 3378800 136.472 94.2004 -51.9512 9.30441 -25.829 -1.87612 -140.814 -25.2268 45.236 PRESSAVG: 3378800 16.8858 9.94035 -18.7478 9.94033 -38.0648 -34.2463 -18.7479 -34.2464 15.5407 GPRESSAVG: 3378800 15.202 9.97348 -17.3423 9.16034 -37.5255 -35.433 -20.4494 -35.3189 16.3147 TIMING: 3378800 CPU: 10733.5, 0.0031284/step Wall: 10733.5, 0.0031284/step, 1.40882 hours remaining, 232.925781 MB of memory in use. ENERGY: 3378800 3982.9235 20461.4295 14364.6233 226.9067 -203774.9586 2638.2418 0.0000 0.0000 51854.7031 -110246.1308 298.0097 -162100.8339 -109889.2442 298.1030 21.7372 51.9597 759509.7484 -1.8794 -2.0029 PRESSURE: 3379000 6.4941 -54.8194 77.3128 -54.8202 111.698 -105.754 77.3119 -105.753 152.294 GPRESSURE: 3379000 58.593 -47.5385 95.5804 -219.363 148.211 -87.0747 39.9136 -71.2943 146.855 PRESSAVG: 3379000 15.293 -19.4748 -1.11685 -19.4748 33.4767 9.02318 -1.1168 9.02322 -1.77859 GPRESSAVG: 3379000 14.9036 -20.3825 -3.28305 -17.3946 33.3958 10.2799 -0.896714 8.51257 -1.29497 TIMING: 3379000 CPU: 10734.1, 0.00313743/step Wall: 10734.1, 0.00313743/step, 1.41271 hours remaining, 232.925781 MB of memory in use. ENERGY: 3379000 4053.3623 20498.7344 14446.6265 240.2630 -203925.2879 2754.1336 0.0000 0.0000 51689.1601 -110243.0080 297.0583 -161932.1681 -109894.9437 297.6431 90.1619 117.8863 759735.5627 15.6637 15.6681 PRESSURE: 3379200 -355.753 -186.674 158.866 -186.674 -240.251 84.5139 158.865 84.5135 -180.746 GPRESSURE: 3379200 -319.228 -141.816 159.87 -57.6245 -133.744 66.6967 148.222 85.4778 -233.573 PRESSAVG: 3379200 12.1327 -11.4687 -25.6784 -11.4687 -16.2777 -22.2433 -25.6784 -22.2434 15.3158 GPRESSAVG: 3379200 13.3289 -11.7509 -24.2787 -12.1476 -16.9586 -20.9446 -25.3084 -23.2673 15.5577 TIMING: 3379200 CPU: 10734.8, 0.00314361/step Wall: 10734.8, 0.00314361/step, 1.41532 hours remaining, 232.925781 MB of memory in use. ENERGY: 3379200 3939.4250 20394.9174 14468.2126 224.9808 -203208.4343 2316.3466 0.0000 0.0000 51704.4401 -110160.1119 297.1461 -161864.5519 -109796.4800 297.6857 -258.9165 -228.8482 761952.5343 3.7236 3.9760 PRESSURE: 3379400 -303.04 63.3272 -127.343 63.3263 -80.8151 140.669 -127.343 140.668 -335.958 GPRESSURE: 3379400 -212.574 -36.8794 -129.819 -26.5967 -71.6619 54.1967 -176.353 184.109 -338.893 PRESSAVG: 3379400 40.2758 -32.8824 32.6247 -32.8824 -26.619 -27.6852 32.6248 -27.6852 14.078 GPRESSAVG: 3379400 39.6119 -34.5497 33.1687 -33.481 -25.8114 -29.3027 32.9318 -27.6796 13.6511 TIMING: 3379400 CPU: 10735.4, 0.00315537/step Wall: 10735.4, 0.00315537/step, 1.42044 hours remaining, 232.925781 MB of memory in use. ENERGY: 3379400 4005.5898 20394.5924 14469.8366 255.6230 -203462.6163 2413.3874 0.0000 0.0000 51905.0808 -110018.5062 298.2992 -161923.5870 -109651.9290 297.9186 -239.9377 -207.7096 761114.9643 9.2449 9.1506 PRESSURE: 3379600 -104.388 14.2024 -3.5869 14.2032 -145.262 112.752 -3.586 112.752 -347.074 GPRESSURE: 3379600 -67.5344 46.347 -12.5356 63.7913 -65.0956 93.7485 30.3249 76.1392 -376.811 PRESSAVG: 3379600 1.72541 -21.164 56.5035 -21.164 -36.0753 -21.8823 56.5035 -21.8823 -20.7095 GPRESSAVG: 3379600 0.326219 -18.7355 57.5685 -20.4205 -35.5926 -22.6312 54.2261 -22.13 -19.9893 TIMING: 3379600 CPU: 10736, 0.00315193/step Wall: 10736, 0.00315193/step, 1.41872 hours remaining, 232.925781 MB of memory in use. ENERGY: 3379600 3947.0323 20467.7774 14427.3801 234.2113 -203537.2476 2567.5997 0.0000 0.0000 51699.3421 -110193.9047 297.1168 -161893.2468 -109840.7433 298.0227 -198.9081 -169.8137 762500.7034 -18.3531 -18.4186 PRESSURE: 3379800 244.205 208.991 -153.592 208.991 -211.44 91.2931 -153.592 91.2921 -30.1543 GPRESSURE: 3379800 204.758 290.505 -102.811 139.074 -62.4573 9.54942 -133.728 51.8323 -40.7671 PRESSAVG: 3379800 10.0503 -57.011 34.9221 -57.011 -45.2401 -26.8967 34.9222 -26.8967 -10.2885 GPRESSAVG: 3379800 11.0633 -58.1504 35.3789 -56.7928 -45.9428 -26.0778 36.4201 -27.9736 -10.6065 TIMING: 3379800 CPU: 10736.6, 0.00312905/step Wall: 10736.6, 0.00312905/step, 1.40825 hours remaining, 232.925781 MB of memory in use. ENERGY: 3379800 4063.9379 20456.7780 14478.5944 240.8108 -204136.5989 2892.7755 0.0000 0.0000 51895.9190 -110107.7833 298.2466 -162003.7023 -109744.4999 297.7691 0.8700 33.8444 762207.9266 -15.1595 -15.1620 PRESSURE: 3380000 8.3536 -228.034 18.5713 -228.034 -4.51282 59.4767 18.5715 59.477 110.585 GPRESSURE: 3380000 -7.14712 -193.376 23.444 -194.666 81.6639 95.9552 14.2365 50.4939 123.666 PRESSAVG: 3380000 27.1849 -55.6719 8.16567 -55.6719 -4.15528 -18.4019 8.16568 -18.4019 -2.18379 GPRESSAVG: 3380000 26.8043 -55.7698 6.85515 -56.2949 -3.96417 -16.2558 9.35571 -16.2668 -2.22529 TIMING: 3380000 CPU: 10737.3, 0.00312646/step Wall: 10737.3, 0.00312646/step, 1.40691 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3380000 3956.5375 20420.3396 14443.2058 253.8857 -203813.1768 2704.2897 0.0000 0.0000 51939.9676 -110094.9510 298.4997 -162034.9186 -109722.8910 298.5331 38.1420 66.0611 762735.4497 6.9486 6.8716 PRESSURE: 3380200 -22.6874 -129.544 -36.2353 -129.543 -357.024 139.732 -36.236 139.731 98.9091 GPRESSURE: 3380200 -79.9393 11.5431 -134.783 -122.851 -223.046 22.0789 -111.573 95.1701 112.982 PRESSAVG: 3380200 42.8535 3.79562 11.836 3.79565 -68.4207 -23.6459 11.836 -23.646 25.3266 GPRESSAVG: 3380200 42.989 4.59249 10.9324 4.23669 -68.2437 -27.1553 11.5208 -22.4369 25.0425 TIMING: 3380200 CPU: 10737.9, 0.0031375/step Wall: 10737.9, 0.0031375/step, 1.4117 hours remaining, 232.925781 MB of memory in use. ENERGY: 3380200 3976.2946 20594.4303 14497.9405 235.9731 -203814.4966 2751.5688 0.0000 0.0000 52005.6626 -109752.6267 298.8773 -161758.2893 -109388.9981 298.2609 -93.6008 -63.3343 760768.4744 -0.0802 -0.0707 LDB: ============= START OF LOAD BALANCING ============== 10750.3 LDB: ============== END OF LOAD BALANCING =============== 10750.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10750.3 LDB: ============= START OF LOAD BALANCING ============== 10750.6 LDB: Largest compute 7041 load 0.030121 is 15.4% of average load 0.195623 LDB: Average compute 0.004378 is 2.2% of average load 0.195623 LDB: TIME 10750.6 LOAD: AVG 0.195623 MAX 0.21575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.492 MB LDB: TIME 10750.6 LOAD: AVG 0.195623 MAX 0.21575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.492 MB LDB: TIME 10750.6 LOAD: AVG 0.195623 MAX 0.21575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.492 MB LDB: ============== END OF LOAD BALANCING =============== 10750.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10750.6 PRESSURE: 3380400 -214.462 -167.542 -60.2316 -167.542 -300.287 105.106 -60.2314 105.107 305.299 GPRESSURE: 3380400 -147.227 -186.016 17.2622 -181.913 -311.602 88.5617 -135.46 46.9825 308.149 PRESSAVG: 3380400 13.7035 -32.7069 5.73571 -32.7068 5.07308 -12.0083 5.73571 -12.0082 -28.7154 GPRESSAVG: 3380400 14.9612 -33.8779 7.18248 -32.1278 4.05459 -10.4155 4.43908 -14.2586 -29.2288 TIMING: 3380400 CPU: 10738.5, 0.00321549/step Wall: 10738.5, 0.00321549/step, 1.44661 hours remaining, 234.199219 MB of memory in use. ENERGY: 3380400 3938.0434 20415.8183 14494.4356 252.2316 -203734.3355 2760.9380 0.0000 0.0000 51984.8148 -109888.0538 298.7574 -161872.8686 -109525.3998 298.3309 -69.8166 -50.2271 760810.6313 -3.3129 -3.4044 PRESSURE: 3380600 -360.883 -199.15 76.8068 -199.149 -514.572 144.37 76.807 144.369 -95.7739 GPRESSURE: 3380600 -331.363 -187.136 125.163 -142.237 -389.009 265.782 -78.9328 80.1148 -156.97 PRESSAVG: 3380600 5.37968 23.9568 35.2651 23.9568 -23.2344 -3.1407 35.2651 -3.14079 -19.2203 GPRESSAVG: 3380600 5.01053 26.4835 34.1703 23.8365 -22.8159 -3.04842 35.4893 -2.4536 -19.061 TIMING: 3380600 CPU: 10739.2, 0.00312616/step Wall: 10739.2, 0.00312616/step, 1.40625 hours remaining, 234.199219 MB of memory in use. ENERGY: 3380600 3983.1725 20285.8227 14524.4882 252.4930 -203340.3400 2539.0780 0.0000 0.0000 51841.8395 -109913.4460 297.9358 -161755.2855 -109558.5487 298.5224 -323.7428 -292.4477 759763.5063 -12.3584 -12.2888 PRESSURE: 3380800 10.8254 -117.852 219.026 -117.852 219.783 5.11706 219.026 5.11726 -97.2328 GPRESSURE: 3380800 58.283 -182.273 276.915 -116.042 234.647 -18.5335 34.4174 94.7478 -79.0933 PRESSAVG: 3380800 -3.51656 -1.58016 -6.4578 -1.58015 -10.2431 48.3683 -6.45777 48.3682 -13.0189 GPRESSAVG: 3380800 -4.39454 -2.92352 -4.3453 -2.60483 -9.57006 48.0541 -6.9181 47.5621 -12.8969 TIMING: 3380800 CPU: 10739.8, 0.00313599/step Wall: 10739.8, 0.00313599/step, 1.4105 hours remaining, 234.398438 MB of memory in use. ENERGY: 3380800 4011.3080 20530.2019 14450.0073 237.4866 -203623.8245 2714.6230 0.0000 0.0000 51731.6394 -109948.5582 297.3024 -161680.1976 -109605.2423 298.4902 44.4584 71.2788 760850.0619 -8.9262 -8.9538 PRESSURE: 3381000 -180.284 60.8652 -49.23 60.8655 196.611 96.1368 -49.2301 96.1376 423.591 GPRESSURE: 3381000 -31.9941 168.698 -93.9692 159.845 107.746 74.7368 47.1721 36.1094 426.663 PRESSAVG: 3381000 28.919 -37.466 -12.3322 -37.466 -28.996 -49.0745 -12.3321 -49.0745 7.89756 GPRESSAVG: 3381000 28.9316 -35.6713 -13.6398 -37.0332 -28.4112 -49.4087 -10.5167 -49.0782 7.24128 TIMING: 3381000 CPU: 10740.4, 0.00313596/step Wall: 10740.4, 0.00313596/step, 1.41031 hours remaining, 234.398438 MB of memory in use. ENERGY: 3381000 3967.0463 20218.8990 14368.3255 229.6924 -203946.9124 2793.6337 0.0000 0.0000 52349.9499 -110019.3657 300.8559 -162369.3156 -109647.2808 298.3270 146.6394 167.4718 760944.3675 2.6068 2.5872 PRESSURE: 3381200 -122.606 78.7917 213.525 78.7921 -30.4439 113.703 213.524 113.703 -32.6491 GPRESSURE: 3381200 -145.043 53.9174 179.227 38.3353 100.669 107.751 181.134 157.137 -37.1596 PRESSAVG: 3381200 -25.7595 -44.5367 51.1039 -44.5367 39.7344 -13.0242 51.104 -13.0242 -10.5234 GPRESSAVG: 3381200 -24.3878 -47.8504 50.6937 -43.9563 38.7277 -12.5471 50.5548 -13.9619 -11.0375 TIMING: 3381200 CPU: 10741, 0.00314103/step Wall: 10741, 0.00314103/step, 1.41242 hours remaining, 234.398438 MB of memory in use. ENERGY: 3381200 4037.7005 20398.4861 14421.7997 256.0613 -203003.9374 2275.2082 0.0000 0.0000 51681.4183 -109933.2633 297.0138 -161614.6815 -109570.3229 298.2224 -61.8995 -27.1776 760621.8193 1.1505 1.1008 PRESSURE: 3381400 -192.433 70.6701 58.4483 70.6688 -348.52 -235.661 58.4488 -235.661 21.2746 GPRESSURE: 3381400 -208.617 106.933 32.5629 -35.9682 -246.997 -188.48 8.45188 -222.399 1.53026 PRESSAVG: 3381400 9.21069 0.528469 -1.69583 0.528473 1.96684 -55.6966 -1.69581 -55.6966 23.8719 GPRESSAVG: 3381400 8.38587 2.46605 -0.44474 -0.620341 1.45916 -55.071 -2.61162 -55.7386 25.3596 TIMING: 3381400 CPU: 10741.7, 0.00312547/step Wall: 10741.7, 0.00312547/step, 1.40525 hours remaining, 234.398438 MB of memory in use. ENERGY: 3381400 3958.0185 20465.5498 14524.4436 246.0320 -203019.7971 2190.2133 0.0000 0.0000 51746.3799 -109889.1600 297.3872 -161635.5399 -109526.9879 298.0628 -173.2261 -151.3611 762324.0971 11.6832 11.7349 PRESSURE: 3381600 -368.631 84.2081 71.1577 84.2076 -206.705 -11.8259 71.1576 -11.8261 156.038 GPRESSURE: 3381600 -323.919 9.90355 14.0845 148.892 -153.571 0.262268 34.0104 26.6714 127.03 PRESSAVG: 3381600 -31.9554 -7.67957 -40.9188 -7.67953 -10.3897 -0.508494 -40.9188 -0.508522 -2.50883 GPRESSAVG: 3381600 -32.118 -8.26136 -41.969 -6.16423 -10.309 -1.92974 -40.6429 -0.359908 -1.60754 TIMING: 3381600 CPU: 10742.3, 0.00312025/step Wall: 10742.3, 0.00312025/step, 1.40272 hours remaining, 234.398438 MB of memory in use. ENERGY: 3381600 3930.9719 20506.4721 14447.4771 246.1092 -202981.1004 2250.0565 0.0000 0.0000 51951.1621 -109648.8515 298.5640 -161600.0136 -109291.6087 298.7792 -139.7661 -116.8199 762943.0095 -14.9513 -14.6782 PRESSURE: 3381800 -132.493 -61.1627 174.9 -61.1637 -180.787 24.4036 174.899 24.4036 181.842 GPRESSURE: 3381800 -134.856 79.3708 205.693 -9.07158 -96.0342 46.8942 192.078 24.0576 161.021 PRESSAVG: 3381800 -13.2595 -8.58041 41.9623 -8.58038 -8.47975 -3.42752 41.9623 -3.42747 11.1371 GPRESSAVG: 3381800 -13.765 -7.33243 42.919 -9.20712 -6.11901 -3.13989 40.3249 -3.27617 9.49151 TIMING: 3381800 CPU: 10742.9, 0.00313709/step Wall: 10742.9, 0.00313709/step, 1.41012 hours remaining, 234.398438 MB of memory in use. ENERGY: 3381800 4033.6261 20533.8257 14455.8234 255.8041 -202773.0969 2207.4104 0.0000 0.0000 52047.1890 -109239.4182 299.1159 -161286.6072 -108890.8527 299.3841 -43.8123 -23.2897 762279.0776 -3.5341 -3.4642 PRESSURE: 3382000 29.9252 246.357 -173.657 246.357 -52.324 -235.724 -173.657 -235.723 -297.163 GPRESSURE: 3382000 90.702 231.686 -243.584 275.64 8.18986 -247.129 -126.852 -317.615 -334.813 PRESSAVG: 3382000 -0.212378 -29.247 -7.67218 -29.2471 30.5411 -34.3839 -7.67225 -34.3839 25.8521 GPRESSAVG: 3382000 2.13011 -29.316 -8.51657 -30.4252 28.1909 -32.7879 -5.8185 -37.4885 26.0432 TIMING: 3382000 CPU: 10743.6, 0.0031445/step Wall: 10743.6, 0.0031445/step, 1.41328 hours remaining, 234.398438 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: 3382000 3991.7345 20441.7988 14491.5985 269.6339 -202664.3653 2237.0941 0.0000 0.0000 52043.9313 -109188.5743 299.0972 -161232.5056 -108827.7054 299.6433 -106.5205 -78.6404 760351.5242 18.7270 18.7881 PRESSURE: 3382200 159.926 35.3921 -131.554 35.3924 -50.5982 78.1533 -131.554 78.1545 -168.323 GPRESSURE: 3382200 121.166 -91.1262 -138.981 101.281 34.1138 17.0471 -67.6777 27.721 -132.133 PRESSAVG: 3382200 -18.185 15.8596 27.0643 15.8596 -22.742 -48.6421 27.0643 -48.642 -17.1216 GPRESSAVG: 3382200 -18.6819 13.1191 25.2872 17.5624 -22.1568 -50.9414 28.4145 -44.6286 -17.0151 TIMING: 3382200 CPU: 10744.2, 0.00312812/step Wall: 10744.2, 0.00312812/step, 1.40574 hours remaining, 234.398438 MB of memory in use. ENERGY: 3382200 4015.2543 20564.4287 14483.5186 244.7857 -203145.2679 2587.9180 0.0000 0.0000 52257.5499 -108991.8127 300.3249 -161249.3626 -108628.5602 300.3500 -19.6652 7.7156 760522.4059 -19.3495 -19.2846 PRESSURE: 3382400 -143.712 109.515 32.4566 109.515 115.595 -8.97427 32.4564 -8.97356 320.85 GPRESSURE: 3382400 -144.909 78.1475 4.42674 159.889 140.907 7.50909 65.5353 11.6401 360.971 PRESSAVG: 3382400 -63.9516 -23.6007 -14.9579 -23.6007 40.1386 0.500231 -14.9579 0.500253 -0.183197 GPRESSAVG: 3382400 -65.1066 -21.3805 -11.7544 -24.7008 40.29 2.07325 -16.3225 1.2934 0.385701 TIMING: 3382400 CPU: 10744.8, 0.00313694/step Wall: 10744.8, 0.00313694/step, 1.40953 hours remaining, 234.398438 MB of memory in use. ENERGY: 3382400 3969.6810 20690.6268 14480.9962 248.2021 -202958.0626 2407.8585 0.0000 0.0000 52097.0236 -109063.6744 299.4023 -161160.6980 -108706.7457 300.5641 97.5778 118.9898 762372.6614 -7.9987 -8.1436 PRESSURE: 3382600 162.769 137.633 -56.4038 137.633 -74.2453 194.242 -56.4033 194.241 35.5496 GPRESSURE: 3382600 201.101 100.233 -120.382 215.635 17.1766 166.651 -11.3749 172.49 13.3223 PRESSAVG: 3382600 -68.8429 50.5641 19.789 50.5641 54.0826 73.1535 19.7891 73.1534 -19.3172 GPRESSAVG: 3382600 -69.0534 49.116 18.5028 50.4462 54.143 72.9546 22.3352 71.3425 -19.233 TIMING: 3382600 CPU: 10745.4, 0.00312867/step Wall: 10745.4, 0.00312867/step, 1.40564 hours remaining, 234.398438 MB of memory in use. ENERGY: 3382600 3974.2421 20615.1327 14506.0180 233.8375 -203131.2137 2346.7571 0.0000 0.0000 52251.2703 -109203.9560 300.2888 -161455.2263 -108844.5604 300.3837 41.3577 77.2000 761504.6101 -11.3592 -11.3811 PRESSURE: 3382800 -8.81958 61.8897 55.9493 61.8894 -331.866 -137.181 55.9495 -137.18 -171.429 GPRESSURE: 3382800 5.66776 -52.5662 78.8508 118.928 -305.551 -94.3113 -126.024 -57.7953 -127.479 PRESSAVG: 3382800 -36.2106 -13.5238 12.7063 -13.5238 26.8023 13.3289 12.7063 13.3289 -14.4904 GPRESSAVG: 3382800 -35.2688 -11.1601 13.3651 -13.9645 26.2501 13.7303 10.7952 13.9058 -14.5888 TIMING: 3382800 CPU: 10746.1, 0.00312065/step Wall: 10746.1, 0.00312065/step, 1.40187 hours remaining, 234.398438 MB of memory in use. ENERGY: 3382800 4019.6077 20586.5801 14524.4648 233.8795 -202748.7419 2388.7919 0.0000 0.0000 51928.5655 -109066.8524 298.4342 -160995.4179 -108705.3181 299.8400 -170.7050 -142.4542 762386.7269 -7.9662 -7.8692 PRESSURE: 3383000 -341.922 -274.286 -175.103 -274.286 -319.493 133.818 -175.103 133.819 -331.905 GPRESSURE: 3383000 -354.845 -332.866 -160.348 -294.777 -265.323 113.484 -71.3469 69.1237 -286.496 PRESSAVG: 3383000 -7.11204 -33.1603 13.5091 -33.1603 -3.26045 -7.94883 13.5091 -7.94889 -12.2217 GPRESSAVG: 3383000 -7.69234 -34.2433 13.9943 -34.5288 -3.58498 -8.1696 13.2318 -8.14625 -11.4674 TIMING: 3383000 CPU: 10746.7, 0.00314478/step Wall: 10746.7, 0.00314478/step, 1.41253 hours remaining, 234.398438 MB of memory in use. ENERGY: 3383000 3998.4528 20645.5751 14455.7450 231.0188 -203111.9687 2498.8133 0.0000 0.0000 52147.2496 -109135.1141 299.6910 -161282.3637 -108772.6132 299.8000 -331.1064 -302.2210 762495.3155 -7.5314 -7.5816 PRESSURE: 3383200 -105.775 25.8038 194.605 25.8041 -122.003 61.0535 194.606 61.0542 11.7685 GPRESSURE: 3383200 19.9976 -81.2852 177.787 153.514 -138.683 143.271 196.097 75.6393 -21.225 PRESSAVG: 3383200 18.1309 13.7213 31.4008 13.7212 -12.3049 14.048 31.4007 14.0479 -1.22241 GPRESSAVG: 3383200 20.1781 12.0156 28.8548 16.3229 -12.1528 14.6798 31.404 12.5302 -3.15364 TIMING: 3383200 CPU: 10747.3, 0.0031425/step Wall: 10747.3, 0.0031425/step, 1.41133 hours remaining, 234.398438 MB of memory in use. ENERGY: 3383200 3995.7580 20555.4113 14497.7487 271.2028 -203420.2250 2687.4085 0.0000 0.0000 52210.0380 -109202.6577 300.0518 -161412.6956 -108841.4266 299.7344 -72.0032 -46.6368 760829.0814 1.5345 1.6239 PRESSURE: 3383400 238.084 -149.216 300.038 -149.216 174.164 -58.1932 300.038 -58.1929 716.359 GPRESSURE: 3383400 224.095 5.91053 319.172 -106.119 266.987 -59.1651 216.738 -84.269 721.669 PRESSAVG: 3383400 -29.5762 0.438582 4.4306 0.438576 -8.03861 47.9531 4.43059 47.953 1.1169 GPRESSAVG: 3383400 -29.1055 2.79578 4.20085 -1.09316 -9.44713 46.9977 4.63047 48.8062 2.80784 TIMING: 3383400 CPU: 10747.9, 0.00313604/step Wall: 10747.9, 0.00313604/step, 1.40826 hours remaining, 234.398438 MB of memory in use. ENERGY: 3383400 4032.6156 20535.3190 14475.8991 243.8710 -203250.2801 2662.7986 0.0000 0.0000 52235.0182 -109064.7586 300.1954 -161299.7768 -108706.5343 300.3128 376.2025 404.2505 760567.7176 -12.1660 -11.9149 PRESSURE: 3383600 145.381 -188.216 221.08 -188.217 142.283 -174.605 221.079 -174.604 -28.8108 GPRESSURE: 3383600 141.699 -243.862 261.758 -79.3196 232.653 -104.515 294.279 -281.912 -50.9819 PRESSAVG: 3383600 2.22617 -11.1498 54.4802 -11.1498 31.9329 -51.3506 54.4802 -51.3507 14.6578 GPRESSAVG: 3383600 0.205436 -13.5743 54.22 -11.2812 34.3503 -50.4416 54.4626 -52.7418 14.3704 TIMING: 3383600 CPU: 10748.6, 0.00315022/step Wall: 10748.6, 0.00315022/step, 1.41445 hours remaining, 234.398438 MB of memory in use. ENERGY: 3383600 3966.5899 20615.8385 14428.6160 234.2793 -203007.8797 2371.0858 0.0000 0.0000 52224.3579 -109167.1122 300.1341 -161391.4702 -108801.9650 300.3696 86.2844 107.7900 760793.4015 16.2723 16.3087 PRESSURE: 3383800 -207.896 191.734 114.531 191.735 230.447 65.2044 114.531 65.2047 40.7972 GPRESSURE: 3383800 -147.841 207.183 57.1722 34.4316 267.83 -2.00277 205.642 66.2397 36.5678 PRESSAVG: 3383800 31.3893 -7.70423 15.4563 -7.70419 -17.4995 -33.0893 15.4563 -33.0893 18.5799 GPRESSAVG: 3383800 30.5844 -6.11705 15.2917 -7.65323 -17.2377 -34.1317 16.0276 -32.5055 19.3454 TIMING: 3383800 CPU: 10749.2, 0.00312373/step Wall: 10749.2, 0.00312373/step, 1.40238 hours remaining, 234.398438 MB of memory in use. ENERGY: 3383800 4083.5102 20633.9822 14532.2516 263.1121 -203176.6944 2432.4951 0.0000 0.0000 52256.1886 -108975.1545 300.3170 -161231.3431 -108618.1104 300.6803 21.1163 52.1858 757373.5041 10.8232 10.8974 PRESSURE: 3384000 105.796 63.8256 -377.502 63.8258 234.191 111.271 -377.502 111.27 480.825 GPRESSURE: 3384000 194.905 10.318 -272.904 -65.168 243.552 43.6985 -273.258 154.807 466.371 PRESSAVG: 3384000 38.5168 5.25208 35.9057 5.25207 -17.0284 -12.1374 35.9057 -12.1374 29.7433 GPRESSAVG: 3384000 40.3386 4.23712 37.1329 5.73937 -17.5903 -11.833 37.1917 -9.2781 28.5556 TIMING: 3384000 CPU: 10749.8, 0.00312806/step Wall: 10749.8, 0.00312806/step, 1.40415 hours remaining, 234.398438 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: 3384000 3951.0609 20446.6215 14526.4404 245.2201 -203059.2329 2438.5039 0.0000 0.0000 52400.5237 -109050.8624 301.1465 -161451.3861 -108669.9195 300.4421 273.6041 301.6095 760357.4703 17.0772 17.1013 PRESSURE: 3384200 283.42 174.829 266.82 174.829 247.197 6.88182 266.82 6.88186 379.575 GPRESSURE: 3384200 207.523 120.949 299.09 298.398 360.37 -27.2759 114.988 -50.5053 407.782 PRESSAVG: 3384200 39.1943 -15.5646 9.00936 -15.5645 -5.76468 1.50376 9.00939 1.50373 -10.9232 GPRESSAVG: 3384200 37.236 -14.492 9.20283 -14.8147 -5.54003 0.807979 7.48234 0.827733 -9.59482 TIMING: 3384200 CPU: 10750.4, 0.00313437/step Wall: 10750.4, 0.00313437/step, 1.40681 hours remaining, 234.398438 MB of memory in use. ENERGY: 3384200 3950.8930 20654.8095 14578.3018 265.8716 -203747.6006 2887.0147 0.0000 0.0000 52410.2007 -109000.5093 301.2021 -161410.7100 -108636.5113 300.7643 303.3970 325.2250 760043.8659 7.5021 7.3670 LDB: ============= START OF LOAD BALANCING ============== 10762.9 LDB: ============== END OF LOAD BALANCING =============== 10762.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10762.9 LDB: ============= START OF LOAD BALANCING ============== 10763.2 LDB: Largest compute 7078 load 0.032661 is 16.7% of average load 0.195604 LDB: Average compute 0.004368 is 2.2% of average load 0.195604 LDB: TIME 10763.2 LOAD: AVG 0.195604 MAX 0.217608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.648 MB LDB: TIME 10763.2 LOAD: AVG 0.195604 MAX 0.217608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: TIME 10763.2 LOAD: AVG 0.195604 MAX 0.217608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.648 MB LDB: ============== END OF LOAD BALANCING =============== 10763.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10763.2 PRESSURE: 3384400 119.656 -69.8759 96.2456 -69.8756 109.908 0.946538 96.2449 0.946302 507.498 GPRESSURE: 3384400 142.503 -206.111 140.007 -13.1159 137.612 -0.638128 99.3425 -64.6729 545.907 PRESSAVG: 3384400 22.9438 14.1945 2.66129 14.1945 10.568 7.29166 2.66132 7.29161 20.2958 GPRESSAVG: 3384400 23.769 12.9285 1.89249 15.4441 9.6016 7.43314 2.64111 6.06731 20.6059 TIMING: 3384400 CPU: 10751.1, 0.00320504/step Wall: 10751.1, 0.00320504/step, 1.43835 hours remaining, 233.421875 MB of memory in use. ENERGY: 3384400 4021.3262 20654.2857 14521.2392 257.8679 -203747.6399 2962.4242 0.0000 0.0000 52207.9769 -109122.5197 300.0400 -161330.4966 -108760.5815 300.5306 245.6874 275.3409 761273.0726 17.9359 17.9922 PRESSURE: 3384600 -177.105 -2.50915 -39.1422 -2.50875 7.21841 222.799 -39.1422 222.798 130.824 GPRESSURE: 3384600 -89.8079 101.635 -86.1044 -26.4645 95.0429 206.18 -171.635 243.77 35.7051 PRESSAVG: 3384600 49.6666 -25.6537 -12.037 -25.6537 -51.4223 -9.49513 -12.037 -9.49506 18.82 GPRESSAVG: 3384600 51.3878 -21.9436 -11.5012 -30.8737 -51.8244 -8.53768 -14.5465 -9.08053 17.6964 TIMING: 3384600 CPU: 10751.7, 0.00314105/step Wall: 10751.7, 0.00314105/step, 1.40946 hours remaining, 233.421875 MB of memory in use. ENERGY: 3384600 4039.6778 20724.9433 14576.6005 234.1843 -203280.7519 2444.3493 0.0000 0.0000 51937.6547 -109323.3420 298.4864 -161260.9968 -108966.2027 300.1686 -13.0207 13.6467 761469.8152 5.6881 5.7533 PRESSURE: 3384800 -334.564 22.7586 -150.268 22.7591 4.70383 238.097 -150.269 238.096 -222.209 GPRESSURE: 3384800 -293.478 74.013 -152.573 117.37 48.1362 223.579 -181.608 150.114 -201.095 PRESSAVG: 3384800 1.4111 -18.4355 31.982 -18.4356 5.8413 -20.6527 31.982 -20.6528 -13.1887 GPRESSAVG: 3384800 -0.323266 -20.8499 30.6506 -13.8315 6.99652 -20.6019 35.0493 -21.5684 -12.0385 TIMING: 3384800 CPU: 10752.3, 0.00315862/step Wall: 10752.3, 0.00315862/step, 1.41717 hours remaining, 233.421875 MB of memory in use. ENERGY: 3384800 4048.6191 20582.1450 14520.6648 240.2260 -203606.7657 2742.2580 0.0000 0.0000 52236.0126 -109236.8405 300.2011 -161472.8530 -108874.5034 300.2591 -184.0232 -148.8124 761143.0198 -1.9787 -1.7884 PRESSURE: 3385000 -217.639 128.224 74.2386 128.223 302.698 24.2449 74.2391 24.244 845.877 GPRESSURE: 3385000 -151.279 121.403 -40.6596 164.347 314.206 -29.5091 231.043 -0.399767 844.94 PRESSAVG: 3385000 4.47687 42.448 -22.6986 42.4481 -18.525 37.6273 -22.6986 37.6273 12.9293 GPRESSAVG: 3385000 5.32729 41.6198 -21.7256 41.4098 -18.1066 36.3405 -21.4932 40.92 12.1717 TIMING: 3385000 CPU: 10753, 0.00312995/step Wall: 10753, 0.00312995/step, 1.40413 hours remaining, 233.421875 MB of memory in use. ENERGY: 3385000 4011.7150 20604.4213 14433.3928 225.5903 -203892.4073 3088.6449 0.0000 0.0000 52329.0006 -109199.6425 300.7355 -161528.6430 -108824.5368 300.2044 310.3122 335.9556 760636.5288 -0.3730 -0.2025 PRESSURE: 3385200 -62.7951 142.189 175.056 142.189 327.675 -99.3295 175.055 -99.3276 394.368 GPRESSURE: 3385200 21.4028 139.602 204.7 103.793 408.071 -9.79258 118.189 48.4913 311.131 PRESSAVG: 3385200 -26.9881 -59.168 -7.1081 -59.168 80.9004 -1.37516 -7.10811 -1.37517 10.6788 GPRESSAVG: 3385200 -26.7313 -58.7414 -9.29008 -58.1345 79.4157 0.0671799 -7.96283 -2.20624 11.9611 TIMING: 3385200 CPU: 10753.6, 0.00312625/step Wall: 10753.6, 0.00312625/step, 1.4023 hours remaining, 233.421875 MB of memory in use. ENERGY: 3385200 4025.6758 20670.8113 14489.6141 241.7532 -203535.8749 2790.9007 0.0000 0.0000 52014.1864 -109302.9334 298.9262 -161317.1198 -108946.7125 299.9860 219.7496 246.8682 759600.3951 21.5303 21.5485 PRESSURE: 3385400 -204.319 12.47 -48.2964 12.4686 -32.7844 -124.57 -48.2973 -124.571 -203.623 GPRESSURE: 3385400 -142.383 -20.7216 70.5516 -11.7551 -98.0465 -212.981 79.4086 -120.993 -129.396 PRESSAVG: 3385400 1.5705 -82.69 14.545 -82.69 18.2937 16.3642 14.545 16.3642 -5.02754 GPRESSAVG: 3385400 0.725466 -81.5508 17.2739 -85.1356 19.937 16.0456 11.8283 14.5913 -5.97355 TIMING: 3385400 CPU: 10754.2, 0.00316519/step Wall: 10754.2, 0.00316519/step, 1.41959 hours remaining, 233.421875 MB of memory in use. ENERGY: 3385400 4049.8648 20618.0264 14488.3847 254.5729 -203474.9355 2674.1426 0.0000 0.0000 52187.6450 -109202.2990 299.9231 -161389.9440 -108834.5700 300.2016 -146.9089 -123.2752 761506.4653 4.9455 4.8963 PRESSURE: 3385600 -86.9415 128.543 -67.1781 128.543 -8.92856 139.347 -67.1776 139.347 -12.7471 GPRESSURE: 3385600 -25.3874 -7.37699 -117.292 95.6431 33.004 69.74 47.6188 141.088 -50.8158 PRESSAVG: 3385600 -48.7585 -29.6794 4.86533 -29.6794 47.7881 -31.9333 4.8653 -31.9333 7.44237 GPRESSAVG: 3385600 -48.0619 -32.2582 3.63519 -28.1153 47.2974 -33.5949 6.19156 -30.2541 7.76442 TIMING: 3385600 CPU: 10754.9, 0.00313623/step Wall: 10754.9, 0.00313623/step, 1.40642 hours remaining, 233.421875 MB of memory in use. ENERGY: 3385600 4061.9993 20789.5106 14474.5746 281.6796 -203566.7249 2789.6048 0.0000 0.0000 51888.6004 -109280.7556 298.2045 -161169.3560 -108927.2652 300.6731 -36.2057 -14.3998 760964.7828 2.1573 2.3333 PRESSURE: 3385800 79.1009 -49.8168 110.395 -49.8178 -299.209 14.97 110.395 14.9704 -198.97 GPRESSURE: 3385800 74.4667 -126.607 155.487 -46.9411 -298.619 12.7448 8.42731 -61.5299 -123.227 PRESSAVG: 3385800 32.1067 -51.5127 -42.0607 -51.5127 -7.12254 35.2083 -42.0607 35.2083 6.12012 GPRESSAVG: 3385800 32.6236 -49.5129 -42.4096 -50.6097 -7.67521 35.8121 -42.1492 34.2264 6.43326 TIMING: 3385800 CPU: 10755.5, 0.00316984/step Wall: 10755.5, 0.00316984/step, 1.42132 hours remaining, 233.421875 MB of memory in use. ENERGY: 3385800 4147.6740 20603.7064 14587.0122 254.4830 -203682.0579 2825.3292 0.0000 0.0000 51954.4132 -109309.4399 298.5827 -161263.8531 -108945.0604 300.1692 -139.6930 -115.7928 759480.4623 10.3681 10.4606 PRESSURE: 3386000 393.988 -32.3706 38.6767 -32.3701 25.6879 157.224 38.676 157.224 331.644 GPRESSURE: 3386000 422.677 -47.881 128.72 -8.24435 45.8435 207.804 46.6477 111.212 370.209 PRESSAVG: 3386000 60.8802 -38.9875 -15.3911 -38.9875 -62.8117 4.85738 -15.391 4.85734 -23.1458 GPRESSAVG: 3386000 59.7308 -41.1902 -15.3081 -39.6178 -62.0008 6.20726 -15.4595 4.62706 -23.8447 TIMING: 3386000 CPU: 10756.1, 0.00317277/step Wall: 10756.1, 0.00317277/step, 1.42246 hours remaining, 233.421875 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: 3386000 3977.4564 20579.9815 14481.6290 267.1160 -203707.4920 2886.9792 0.0000 0.0000 52182.6909 -109331.6390 299.8946 -161514.3299 -108968.5721 300.1873 250.4398 279.5766 761417.8336 -8.3591 -8.7049 PRESSURE: 3386200 -29.4199 -129.742 -17.2607 -129.743 -192.018 -36.5955 -17.2611 -36.5951 155.848 GPRESSURE: 3386200 68.6668 -217.008 1.68906 -95.1647 -182.252 -36.1058 -27.6867 38.415 130.465 PRESSAVG: 3386200 23.1961 -3.3386 -15.2796 -3.33865 -38.0043 36.707 -15.2796 36.707 35.8956 GPRESSAVG: 3386200 24.7021 -1.50987 -15.3194 -2.73778 -39.3969 35.0005 -14.9336 37.5694 35.6249 TIMING: 3386200 CPU: 10756.8, 0.00313655/step Wall: 10756.8, 0.00313655/step, 1.40605 hours remaining, 233.421875 MB of memory in use. ENERGY: 3386200 4034.7817 20533.0698 14482.2660 249.7336 -203365.0257 2533.1907 0.0000 0.0000 52144.3869 -109387.5970 299.6745 -161531.9839 -109022.2295 299.7125 -21.8632 5.6267 759420.5160 7.0291 6.9767 PRESSURE: 3386400 263.57 18.3746 163.069 18.3751 238.113 -90.0786 163.068 -90.0783 -78.432 GPRESSURE: 3386400 287.946 -42.7505 139.213 47.4005 182.878 -89.1951 111.558 -56.0807 22.6117 PRESSAVG: 3386400 -12.5598 -81.2006 -9.39748 -81.2006 -26.0286 13.4268 -9.39746 13.4269 -7.33568 GPRESSAVG: 3386400 -13.4783 -82.6322 -9.58526 -80.6093 -25.4461 14.2982 -10.4349 14.9893 -6.79116 TIMING: 3386400 CPU: 10757.4, 0.00314406/step Wall: 10757.4, 0.00314406/step, 1.40924 hours remaining, 233.421875 MB of memory in use. ENERGY: 3386400 4042.3009 20596.5546 14533.3661 221.5006 -203936.4212 2775.4177 0.0000 0.0000 51948.2630 -109819.0183 298.5474 -161767.2813 -109465.5261 299.3200 141.0838 164.4785 758335.5490 -15.3080 -15.2385 PRESSURE: 3386600 53.3879 -416.071 126.576 -416.071 -95.3608 82.0708 126.576 82.0705 81.2997 GPRESSURE: 3386600 147.164 -262.749 123.801 -455.639 -122.231 177.723 261.71 60.4817 109.903 PRESSAVG: 3386600 16.5809 -70.1824 8.83148 -70.1823 46.8014 -11.3543 8.83149 -11.3542 2.53129 GPRESSAVG: 3386600 16.9058 -68.3979 8.3855 -70.1943 46.3689 -13.3091 10.7325 -13.6589 2.43852 TIMING: 3386600 CPU: 10758, 0.00312393/step Wall: 10758, 0.00312393/step, 1.40004 hours remaining, 233.421875 MB of memory in use. ENERGY: 3386600 3996.2937 20451.9847 14561.1848 226.3690 -203921.9743 2551.7473 0.0000 0.0000 52089.4501 -110044.9447 299.3588 -162134.3948 -109677.1881 299.0027 13.1089 44.9455 756819.9389 21.9712 21.9044 PRESSURE: 3386800 -203.867 -98.4677 -126.158 -98.4664 81.3184 235.439 -126.158 235.439 315.199 GPRESSURE: 3386800 -201.115 -89.2221 -41.1209 -61.4298 173.022 244.172 -200.547 208.823 325.68 PRESSAVG: 3386800 -36.2633 -28.8637 -27.2124 -28.8636 59.1333 4.44372 -27.2124 4.44379 8.66399 GPRESSAVG: 3386800 -37.2136 -28.9034 -25.989 -28.9354 59.7044 5.71239 -29.9148 5.29673 8.78481 TIMING: 3386800 CPU: 10758.6, 0.00313036/step Wall: 10758.6, 0.00313036/step, 1.40275 hours remaining, 233.421875 MB of memory in use. ENERGY: 3386800 3984.7377 20609.1537 14563.3026 226.2897 -203711.9665 2459.2241 0.0000 0.0000 51936.7958 -109932.4630 298.4815 -161869.2588 -109580.5050 298.4549 64.2169 99.1958 759507.1867 10.5113 10.4252 PRESSURE: 3387000 206.28 139.194 102.703 139.194 124.675 -75.1104 102.703 -75.1108 222.244 GPRESSURE: 3387000 219.048 127.445 93.5247 227.563 261.679 -150.534 -63.52 -202.312 169.435 PRESSAVG: 3387000 6.70352 -44.8158 -51.8608 -44.8158 19.9077 29.32 -51.8609 29.3199 3.22688 GPRESSAVG: 3387000 6.84187 -46.3139 -52.384 -46.5347 20.8744 30.4306 -51.6317 28.0674 1.9636 TIMING: 3387000 CPU: 10759.3, 0.00313305/step Wall: 10759.3, 0.00313305/step, 1.40378 hours remaining, 233.421875 MB of memory in use. ENERGY: 3387000 3931.5653 20603.8043 14527.0600 250.7083 -203521.1252 2631.2286 0.0000 0.0000 51612.4122 -109964.3466 296.6172 -161576.7588 -109611.9589 298.3167 184.3998 216.7206 761151.6045 9.9460 9.8933 PRESSURE: 3387200 -135.945 -281.198 -250.562 -281.198 -207.792 -4.03721 -250.561 -4.03754 -70.2394 GPRESSURE: 3387200 -41.7026 -93.5023 -230.747 -201.771 -202.512 -20.635 -142.36 7.48194 -80.2791 PRESSAVG: 3387200 -16.0702 27.9375 -43.8311 27.9375 35.8391 -2.88957 -43.8312 -2.88953 -11.9531 GPRESSAVG: 3387200 -16.1457 27.947 -41.2443 29.9661 34.5234 -4.26231 -43.8871 -0.789417 -10.7186 TIMING: 3387200 CPU: 10759.9, 0.00313222/step Wall: 10759.9, 0.00313222/step, 1.40323 hours remaining, 233.421875 MB of memory in use. ENERGY: 3387200 3988.8867 20376.8274 14653.1507 227.9319 -203418.7123 2435.4838 0.0000 0.0000 51971.3716 -109765.0603 298.6802 -161736.4319 -109391.8987 298.1958 -137.9921 -108.1645 761589.4074 2.6053 2.5531 PRESSURE: 3387400 -75.8496 24.8579 46.6764 24.8587 -103.725 -109.6 46.6766 -109.6 -244.499 GPRESSURE: 3387400 -75.0651 -128.099 27.5785 156.004 -68.2342 -91.71 -39.1039 -60.3441 -198.811 PRESSAVG: 3387400 39.1299 -63.5683 21.691 -63.5683 -16.2223 22.1561 21.6909 22.1561 -6.49096 GPRESSAVG: 3387400 40.2862 -64.2461 19.9711 -63.6806 -15.8949 23.7505 22.5198 21.4527 -7.87637 TIMING: 3387400 CPU: 10760.5, 0.0031276/step Wall: 10760.5, 0.0031276/step, 1.40099 hours remaining, 233.421875 MB of memory in use. ENERGY: 3387400 3938.1248 20562.1518 14538.0124 230.1077 -203271.0462 2397.1628 0.0000 0.0000 51874.8379 -109730.6488 298.1254 -161605.4867 -109367.8337 298.2955 -141.3577 -114.0367 762006.1566 5.4722 5.5050 PRESSURE: 3387600 -10.9439 -8.28056 -32.1232 -8.28007 -443.146 -67.2829 -32.1242 -67.2809 132.892 GPRESSURE: 3387600 42.0037 62.957 -20.8924 -27.3472 -391.593 -52.9634 12.3937 -37.4594 122.653 PRESSAVG: 3387600 71.7307 -8.11174 -46.8523 -8.11183 -66.6918 -11.8411 -46.8524 -11.8412 -5.65832 GPRESSAVG: 3387600 69.7178 -6.34334 -44.6943 -9.68958 -65.9837 -13.1418 -47.6052 -11.7478 -4.28132 TIMING: 3387600 CPU: 10761.1, 0.0031199/step Wall: 10761.1, 0.0031199/step, 1.39737 hours remaining, 233.421875 MB of memory in use. ENERGY: 3387600 3950.1462 20322.3161 14583.4767 248.9217 -203384.8624 2492.2638 0.0000 0.0000 51939.7699 -109847.9681 298.4986 -161787.7380 -109492.4535 298.5691 -107.0661 -75.6454 761034.1616 -0.2065 -0.1824 PRESSURE: 3387800 -209.597 -106.721 30.2404 -106.722 -234.095 -13.0316 30.2402 -13.0309 426.102 GPRESSURE: 3387800 -196.171 -132.035 58.1607 -82.2289 -119.877 -58.7217 11.3152 -12.1335 385.897 PRESSAVG: 3387800 -5.81515 4.40116 -51.9059 4.40119 -30.1386 31.0811 -51.906 31.0813 -14.079 GPRESSAVG: 3387800 -3.54546 3.50631 -54.9202 3.86896 -30.2984 30.073 -50.3702 29.9484 -16.1213 TIMING: 3387800 CPU: 10761.8, 0.00313294/step Wall: 10761.8, 0.00313294/step, 1.40304 hours remaining, 233.421875 MB of memory in use. ENERGY: 3387800 4035.1842 20432.0706 14455.6306 237.6864 -203906.3055 2635.6898 0.0000 0.0000 52072.8056 -110037.2384 299.2631 -162110.0440 -109670.9792 298.1310 -5.8630 23.2832 761889.0341 -16.6776 -16.6551 PRESSURE: 3388000 19.1766 74.8016 -202.454 74.8022 -88.9854 180.581 -202.453 180.581 236.336 GPRESSURE: 3388000 85.2173 48.1563 -177.589 146.857 -56.6362 230.656 -25.5733 83.4487 212.617 PRESSAVG: 3388000 43.318 -69.9484 -3.51001 -69.9484 -36.2534 24.4966 -3.50993 24.4966 -16.4712 GPRESSAVG: 3388000 42.6209 -70.94 -2.90773 -67.8417 -36.3642 26.4981 -4.61892 26.7044 -15.4045 TIMING: 3388000 CPU: 10762.4, 0.00313173/step Wall: 10762.4, 0.00313173/step, 1.40232 hours remaining, 233.421875 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: 3388000 4027.7626 20576.2491 14501.3848 250.1532 -203452.2477 2560.5423 0.0000 0.0000 51581.5175 -109954.6383 296.4397 -161536.1558 -109609.9301 298.0555 55.5092 80.3995 762311.2899 -3.1355 -3.0493 PRESSURE: 3388200 -214.336 -92.133 258.188 -92.133 -425.672 -10.6611 258.187 -10.6618 -299.691 GPRESSURE: 3388200 -269.951 -113.034 200.476 72.9934 -340.827 -75.7979 196.253 -22.7939 -270.448 PRESSAVG: 3388200 -58.716 -7.03228 22.0553 -7.03229 61.5413 30.3199 22.0553 30.3199 9.46648 GPRESSAVG: 3388200 -58.7055 -5.16214 21.8528 -8.60978 61.237 28.3568 20.3293 29.566 9.79134 TIMING: 3388200 CPU: 10763, 0.00312907/step Wall: 10763, 0.00312907/step, 1.40095 hours remaining, 233.421875 MB of memory in use. ENERGY: 3388200 3959.3963 20541.6737 14557.8805 246.7262 -203224.1906 2330.9074 0.0000 0.0000 51905.9989 -109681.6077 298.3045 -161587.6066 -109313.8642 298.2951 -313.2327 -293.7421 763939.0179 4.0973 4.1076 LDB: ============= START OF LOAD BALANCING ============== 10775.4 LDB: ============== END OF LOAD BALANCING =============== 10775.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10775.4 LDB: ============= START OF LOAD BALANCING ============== 10775.7 LDB: Largest compute 7078 load 0.032186 is 16.5% of average load 0.195538 LDB: Average compute 0.004363 is 2.2% of average load 0.195538 LDB: TIME 10775.8 LOAD: AVG 0.195538 MAX 0.215598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.809 MB LDB: TIME 10775.8 LOAD: AVG 0.195538 MAX 0.215598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.902 MB LDB: TIME 10775.8 LOAD: AVG 0.195538 MAX 0.215598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.902 MB LDB: ============== END OF LOAD BALANCING =============== 10775.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10775.8 PRESSURE: 3388400 -364.382 107.764 64.8519 107.764 -265.546 -42.7237 64.8519 -42.7232 -396.993 GPRESSURE: 3388400 -316.675 66.3539 125.305 68.3391 -193.561 -22.0608 -40.3182 30.1108 -417.398 PRESSAVG: 3388400 -3.45198 -28.1197 -15.2592 -28.1197 36.4093 -20.7341 -15.2592 -20.7341 7.69441 GPRESSAVG: 3388400 -3.35519 -28.2126 -16.4528 -28.3899 36.5828 -19.6381 -12.0765 -21.4971 7.22697 TIMING: 3388400 CPU: 10763.7, 0.00318413/step Wall: 10763.7, 0.00318413/step, 1.42543 hours remaining, 232.847656 MB of memory in use. ENERGY: 3388400 4025.7574 20285.6116 14505.8554 230.0257 -203310.5614 2412.1141 0.0000 0.0000 52103.6490 -109747.5482 299.4404 -161851.1972 -109385.3388 298.9736 -342.3071 -309.2113 762787.0263 13.5506 13.4849 PRESSURE: 3388600 53.869 -70.9637 21.7066 -70.9631 -193.174 -192.093 21.7067 -192.092 -309.181 GPRESSURE: 3388600 82.2124 60.6968 -8.13788 -100.416 -109.812 -184.596 27.2682 -147.829 -307.966 PRESSAVG: 3388600 -59.3586 -30.975 17.4837 -30.975 16.533 -11.7611 17.4837 -11.7611 -10.7002 GPRESSAVG: 3388600 -58.001 -31.9953 18.8761 -29.4012 15.2591 -11.39 14.84 -9.59766 -10.3423 TIMING: 3388600 CPU: 10764.3, 0.00311664/step Wall: 10764.3, 0.00311664/step, 1.39504 hours remaining, 233.046875 MB of memory in use. ENERGY: 3388600 3915.1161 20452.5751 14556.7211 269.1972 -203576.8648 2759.0002 0.0000 0.0000 52045.2634 -109578.9917 299.1048 -161624.2550 -109210.0914 298.7487 -149.4956 -111.8551 760693.9156 -17.8419 -17.6947 PRESSURE: 3388800 235.704 77.6987 190.166 77.698 26.2727 95.2069 190.165 95.2069 281.952 GPRESSURE: 3388800 183.978 95.4361 168.075 102.004 82.1975 126.969 213.387 31.3419 350.369 PRESSAVG: 3388800 15.8171 8.51062 90.9148 8.51063 13.221 7.75078 90.9147 7.75081 -4.25973 GPRESSAVG: 3388800 13.1399 8.19776 91.5996 8.97858 14.6751 8.29864 91.2821 5.06757 -3.43025 TIMING: 3388800 CPU: 10764.9, 0.00311487/step Wall: 10764.9, 0.00311487/step, 1.39408 hours remaining, 233.046875 MB of memory in use. ENERGY: 3388800 3990.7370 20601.2112 14645.0090 243.4525 -203797.7795 2782.7733 0.0000 0.0000 52023.4030 -109511.1935 298.9792 -161534.5965 -109162.8486 298.8767 181.3097 205.5149 761203.5114 8.2594 8.1282 PRESSURE: 3389000 -177.116 -301.984 -8.46822 -301.984 -190.897 88.7721 -8.46854 88.7722 -34.7673 GPRESSURE: 3389000 -54.4305 -125.111 26.013 -224.848 -214.669 83.713 -111.871 97.9557 -68.1948 PRESSAVG: 3389000 9.66583 -16.6608 5.61728 -16.6609 28.3922 -17.0358 5.61725 -17.0358 30.0424 GPRESSAVG: 3389000 11.539 -16.3782 4.3187 -16.9176 28.149 -17.6662 5.51563 -16.4575 28.5154 TIMING: 3389000 CPU: 10765.5, 0.00312602/step Wall: 10765.5, 0.00312602/step, 1.39889 hours remaining, 233.046875 MB of memory in use. ENERGY: 3389000 4043.2562 20554.9137 14448.0212 249.4721 -203283.9423 2596.8668 0.0000 0.0000 51573.4662 -109817.9461 296.3934 -161391.4124 -109456.7841 299.0351 -134.2600 -112.4313 761325.4495 22.7001 22.7345 PRESSURE: 3389200 -448.514 -239.8 -115.623 -239.8 -59.2311 -230.025 -115.623 -230.025 455.564 GPRESSURE: 3389200 -535.483 -205.87 -40.5648 -161.615 72.5504 -191.786 -48.668 -155.716 480.05 PRESSAVG: 3389200 -10.642 -67.5754 17.6739 -67.5754 45.0312 -12.5794 17.6739 -12.5794 -20.1891 GPRESSAVG: 3389200 -10.7136 -66.5325 17.7349 -66.8918 44.6892 -13.6586 17.4707 -11.6392 -19.884 TIMING: 3389200 CPU: 10766.2, 0.00313217/step Wall: 10766.2, 0.00313217/step, 1.40147 hours remaining, 233.046875 MB of memory in use. ENERGY: 3389200 4011.0790 20309.7447 14440.4077 256.1474 -203375.6076 2488.8129 0.0000 0.0000 51930.5186 -109938.8972 298.4454 -161869.4158 -109575.8423 298.2735 -17.3935 5.7057 759847.7522 4.7334 4.6972 PRESSURE: 3389400 175.507 195.567 -17.8746 195.567 64.0782 78.0606 -17.8754 78.061 291.88 GPRESSURE: 3389400 201.085 134.492 19.7006 239.936 -13.2095 66.0177 -34.7492 33.7151 420.68 PRESSAVG: 3389400 8.23647 -7.47188 21.2543 -7.47192 -12.0186 26.5737 21.2543 26.5737 1.3348 GPRESSAVG: 3389400 7.4458 -6.49259 22.7552 -6.84989 -10.9476 26.2349 22.0212 26.9105 1.55939 TIMING: 3389400 CPU: 10766.8, 0.00312232/step Wall: 10766.8, 0.00312232/step, 1.39689 hours remaining, 233.046875 MB of memory in use. ENERGY: 3389400 3979.0245 20344.9555 14529.4492 251.0029 -203756.2769 2756.4308 0.0000 0.0000 52056.8929 -109838.5210 299.1717 -161895.4139 -109475.5755 298.5339 177.1551 202.8519 759554.2775 -0.8158 -0.6475 PRESSURE: 3389600 2.02793 -215.49 334.147 -215.49 -234.666 350.028 334.146 350.027 -93.3474 GPRESSURE: 3389600 -65.7666 -225.388 326.133 -188.078 -59.5623 378.395 206.191 247.09 -112.279 PRESSAVG: 3389600 -43.9923 -36.2459 -37.0761 -36.2459 39.7286 0.845493 -37.0761 0.84546 10.9089 GPRESSAVG: 3389600 -44.0351 -39.6191 -39.4372 -36.6711 39.2339 1.53966 -36.2335 1.55583 11.3608 TIMING: 3389600 CPU: 10767.4, 0.00313408/step Wall: 10767.4, 0.00313408/step, 1.40198 hours remaining, 233.046875 MB of memory in use. ENERGY: 3389600 3984.8000 20308.6154 14504.7907 232.2663 -203255.2944 2469.8573 0.0000 0.0000 51952.8472 -109802.1175 298.5737 -161754.9647 -109443.4595 298.4157 -108.6619 -79.2025 761056.7016 2.2151 2.1866 PRESSURE: 3389800 -73.8852 2.45089 -32.8458 2.45099 -299.234 -136.194 -32.8453 -136.194 4.83958 GPRESSURE: 3389800 -97.325 143.452 -39.3558 40.4063 -258.747 -165.283 30.4565 -73.5253 75.5909 PRESSAVG: 3389800 -4.66943 -93.1252 -2.57004 -93.1253 19.042 1.76095 -2.57005 1.76104 28.4439 GPRESSAVG: 3389800 -5.49092 -92.197 -2.81437 -94.0747 19.2628 2.22492 -2.82513 1.78699 29.5409 TIMING: 3389800 CPU: 10768, 0.00313686/step Wall: 10768, 0.00313686/step, 1.40305 hours remaining, 233.046875 MB of memory in use. ENERGY: 3389800 3981.6371 20442.4770 14531.9435 236.3532 -203542.2669 2481.2143 0.0000 0.0000 51969.6705 -109898.9714 298.6704 -161868.6418 -109530.3743 298.1062 -122.7598 -93.4937 759579.4280 14.2722 14.4376 PRESSURE: 3390000 -191.916 12.2654 -267.572 12.2661 87.3297 45.9586 -267.572 45.9582 -344.678 GPRESSURE: 3390000 -161.497 -63.4437 -245.339 -14.7056 158.021 92.0921 -346.757 10.2641 -335.601 PRESSAVG: 3390000 -28.6839 -60.937 24.4927 -60.9369 42.7717 36.4744 24.4927 36.4744 -9.08914 GPRESSAVG: 3390000 -27.6019 -61.6066 25.6835 -58.6918 44.4532 36.5058 22.8495 36.4894 -11.6809 TIMING: 3390000 CPU: 10768.7, 0.00312818/step Wall: 10768.7, 0.00312818/step, 1.39899 hours remaining, 233.046875 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: 3390000 3929.0521 20374.5160 14592.6316 240.3264 -203482.5380 2531.2823 0.0000 0.0000 52176.0361 -109638.6935 299.8564 -161814.7297 -109284.8460 298.4392 -149.7548 -113.0256 759544.5812 1.6662 1.7235 PRESSURE: 3390200 -21.7861 132.389 -314.68 132.39 -57.8434 -186.303 -314.679 -186.302 -212.163 GPRESSURE: 3390200 67.8715 240.201 -186.126 125.764 -47.39 -156.038 -198.127 -225.991 -222.765 PRESSAVG: 3390200 63.6755 26.6898 -4.88511 26.6898 -39.8681 5.6899 -4.88508 5.68989 -4.96878 GPRESSAVG: 3390200 63.0656 27.9838 -3.48562 23.8943 -40.3582 3.4961 -4.20504 4.7512 -3.93821 TIMING: 3390200 CPU: 10769.3, 0.00313749/step Wall: 10769.3, 0.00313749/step, 1.40298 hours remaining, 233.046875 MB of memory in use. ENERGY: 3390200 3888.9423 20430.9837 14568.9401 244.7705 -203251.8519 2312.8504 0.0000 0.0000 52035.8752 -109769.4897 299.0509 -161805.3649 -109401.3723 298.4594 -97.2641 -67.4277 760921.6786 6.2795 6.2564 PRESSURE: 3390400 70.1818 61.8193 -140.746 61.8204 113.502 342.281 -140.747 342.281 808.634 GPRESSURE: 3390400 156.54 83.8277 -132.21 65.2446 161.49 369.439 -114.213 326.197 727.905 PRESSAVG: 3390400 3.34301 3.74978 -106.714 3.74977 16.8198 2.53008 -106.714 2.53 6.89784 GPRESSAVG: 3390400 3.99555 2.68916 -108.487 5.91153 16.5608 4.70491 -106.808 2.64112 6.82984 TIMING: 3390400 CPU: 10769.9, 0.00313484/step Wall: 10769.9, 0.00313483/step, 1.40162 hours remaining, 233.046875 MB of memory in use. ENERGY: 3390400 3882.4754 20460.3634 14458.8689 268.5852 -203316.6382 2590.3162 0.0000 0.0000 51774.9915 -109881.0376 297.5516 -161656.0291 -109515.7636 298.5367 330.7726 348.6451 761705.1044 9.0202 9.1287 PRESSURE: 3390600 190.632 -37.9879 -62.2284 -37.9874 -123.233 165.707 -62.2298 165.707 382.222 GPRESSURE: 3390600 224.587 -32.7505 17.3335 -94.8649 -61.3386 228.386 -65.8387 159.698 357.465 PRESSAVG: 3390600 42.3708 -12.4002 -2.44912 -12.4002 -25.4988 48.1745 -2.44913 48.1746 14.9821 GPRESSAVG: 3390600 43.0766 -12.8017 -2.42802 -12.8009 -24.6713 47.9504 -3.7043 47.1483 13.9376 TIMING: 3390600 CPU: 10770.5, 0.00314713/step Wall: 10770.5, 0.00314713/step, 1.40694 hours remaining, 233.046875 MB of memory in use. ENERGY: 3390600 3911.5088 20470.5134 14518.7901 244.9010 -203389.4938 2578.4845 0.0000 0.0000 51767.8184 -109897.4775 297.5104 -161665.2959 -109541.7846 298.0623 149.8737 173.5709 761720.2192 10.6181 10.7810 PRESSURE: 3390800 -229.603 -203.056 134.596 -203.056 224.702 -110.115 134.596 -110.114 -52.6317 GPRESSURE: 3390800 -87.1837 -96.3107 38.8931 -112.324 148.956 -47.9117 89.5855 -110.851 -36.5877 PRESSAVG: 3390800 -63.7161 6.83846 20.9344 6.83856 9.36274 21.5875 20.9344 21.5875 -17.2315 GPRESSAVG: 3390800 -62.1757 6.82838 19.9883 6.8684 8.52514 20.4306 23.4399 21.0462 -17.6106 TIMING: 3390800 CPU: 10771.2, 0.00313614/step Wall: 10771.2, 0.00313614/step, 1.40185 hours remaining, 233.046875 MB of memory in use. ENERGY: 3390800 3994.5945 20360.4894 14522.3924 238.7774 -203535.2648 2774.6038 0.0000 0.0000 51897.2950 -109747.1122 298.2545 -161644.4072 -109394.0122 297.9604 -19.1776 8.3948 761288.0722 -23.8616 -23.7537 PRESSURE: 3391000 -212.6 -115.641 -5.8743 -115.641 6.83511 254.633 -5.87432 254.633 23.4197 GPRESSURE: 3391000 -118.251 -111.014 77.9328 -15.7904 -65.1511 275.436 -73.483 137.441 60.7073 PRESSAVG: 3391000 -28.4998 -8.38162 12.082 -8.3816 30.473 59.2571 12.082 59.2571 9.36554 GPRESSAVG: 3391000 -29.4263 -10.0776 13.4002 -6.22787 31.0201 58.8843 11.0186 59.9243 9.45139 TIMING: 3391000 CPU: 10771.8, 0.00314232/step Wall: 10771.8, 0.00314231/step, 1.40444 hours remaining, 233.046875 MB of memory in use. ENERGY: 3391000 3965.4756 20605.0336 14553.6108 241.0713 -203165.5549 2155.1061 0.0000 0.0000 51879.6198 -109765.6375 298.1529 -161645.2574 -109402.3408 298.6175 -60.7817 -40.8983 761724.8858 3.7796 3.6817 PRESSURE: 3391200 -18.9676 -54.3081 220.418 -54.3077 -326.211 193.101 220.417 193.101 64.8989 GPRESSURE: 3391200 -8.21271 -0.155301 206.983 -106.293 -228.965 182.777 55.0487 342.601 33.7367 PRESSAVG: 3391200 -12.5198 -60.6014 18.6078 -60.6014 3.97151 -5.08323 18.6079 -5.08334 16.1462 GPRESSAVG: 3391200 -12.5991 -59.7322 18.2735 -61.9762 4.25467 -1.35128 16.5946 -6.87994 16.412 TIMING: 3391200 CPU: 10772.4, 0.00314518/step Wall: 10772.4, 0.00314518/step, 1.40555 hours remaining, 233.046875 MB of memory in use. ENERGY: 3391200 4070.6813 20593.8435 14517.5027 245.5935 -203469.6128 2531.1479 0.0000 0.0000 51832.9996 -109677.8442 297.8850 -161510.8439 -109321.4907 298.3130 -93.4266 -67.8138 761779.8969 2.5326 2.6892 PRESSURE: 3391400 -410.783 -40.7293 78.8772 -40.7292 -10.3984 85.8661 78.8761 85.8657 -610.078 GPRESSURE: 3391400 -240.659 -27.5468 54.1095 -64.6138 -100.063 84.0262 75.8619 160.611 -588.678 PRESSAVG: 3391400 18.1961 -19.2001 -10.737 -19.2 23.8051 38.8862 -10.737 38.8863 13.3001 GPRESSAVG: 3391400 17.1432 -20.8235 -12.1603 -18.1658 23.1522 34.9163 -8.73455 40.9832 14.9544 TIMING: 3391400 CPU: 10773.1, 0.00312869/step Wall: 10773.1, 0.00312869/step, 1.398 hours remaining, 233.046875 MB of memory in use. ENERGY: 3391400 4054.7261 20546.6130 14473.5188 255.0598 -203706.5977 2480.4455 0.0000 0.0000 52113.6509 -109782.5836 299.4979 -161896.2346 -109419.4542 298.7079 -343.7533 -309.8000 761435.1541 18.4338 18.4166 PRESSURE: 3391600 -60.597 -155.538 -204.417 -155.539 -265.889 185.993 -204.416 185.993 101.416 GPRESSURE: 3391600 -36.1754 -181.793 -208.437 -76.3046 -240.462 233.263 112.812 95.6821 125.486 PRESSAVG: 3391600 64.0261 7.42241 6.58441 7.42243 -63.7436 7.07898 6.58437 7.07888 -10.1955 GPRESSAVG: 3391600 65.7206 9.59019 8.45153 7.19616 -63.6971 7.45119 5.627 6.8937 -11.7171 TIMING: 3391600 CPU: 10773.7, 0.00313891/step Wall: 10773.7, 0.00313891/step, 1.40239 hours remaining, 233.046875 MB of memory in use. ENERGY: 3391600 4033.4984 20577.5195 14473.6554 256.8933 -203591.9109 2340.7488 0.0000 0.0000 52012.0332 -109897.5622 298.9139 -161909.5954 -109534.8075 299.0847 -75.0232 -50.3838 760797.7694 -3.3043 -3.2312 PRESSURE: 3391800 137.021 42.6409 -32.3685 42.6414 212.315 -223.188 -32.3677 -223.187 220.822 GPRESSURE: 3391800 260.602 36.3632 39.6684 -2.13998 205.476 -227.882 0.0940107 -148.643 192.263 PRESSAVG: 3391800 52.085 -50.5536 31.9056 -50.5535 -31.3341 -15.6003 31.9056 -15.6004 4.1728 GPRESSAVG: 3391800 51.8963 -51.2391 31.3594 -52.2213 -32.381 -14.5814 33.9069 -15.387 5.17301 TIMING: 3391800 CPU: 10774.3, 0.00312015/step Wall: 10774.3, 0.00312015/step, 1.39384 hours remaining, 233.046875 MB of memory in use. ENERGY: 3391800 3959.8734 20418.5680 14456.3341 256.0546 -203946.8876 2852.0817 0.0000 0.0000 52160.0413 -109843.9345 299.7645 -162003.9758 -109471.6809 298.6437 190.0526 219.4469 759548.3037 8.3079 8.2294 PRESSURE: 3392000 -34.2899 -121.043 74.6968 -121.043 -368.345 -180.033 74.6972 -180.032 -54.0526 GPRESSURE: 3392000 -8.46276 -68.9648 67.9275 -68.7245 -265.425 -147.099 27.3952 -251.74 -84.0832 PRESSAVG: 3392000 29.6019 -54.3559 -8.17781 -54.3559 -40.9718 -35.2918 -8.17774 -35.2917 -1.29852 GPRESSAVG: 3392000 28.0571 -52.8122 -9.34199 -54.7797 -39.3727 -35.0505 -8.62123 -34.1841 -0.963526 TIMING: 3392000 CPU: 10774.9, 0.00312877/step Wall: 10774.9, 0.00312877/step, 1.39752 hours remaining, 233.046875 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: 3392000 3965.7985 20498.5170 14396.0154 234.7600 -203025.1563 2291.9054 0.0000 0.0000 51829.5239 -109808.6360 297.8650 -161638.1599 -109445.6373 298.6078 -152.2291 -119.3237 760466.3273 -4.2228 -4.0930 PRESSURE: 3392200 -190.7 105.927 -38.3894 105.927 -66.205 -238.788 -38.3897 -238.787 -199.695 GPRESSURE: 3392200 -250.402 -64.572 -44.0201 66.417 41.155 -265.12 -120.482 -218.727 -167.524 PRESSAVG: 3392200 69.753 -15.4376 -19.749 -15.4376 -48.1375 -38.478 -19.7491 -38.478 1.41534 GPRESSAVG: 3392200 69.0426 -17.8793 -17.9756 -14.4079 -47.419 -39.3042 -20.1406 -40.7091 1.14811 TIMING: 3392200 CPU: 10775.6, 0.00312186/step Wall: 10775.6, 0.00312186/step, 1.39426 hours remaining, 233.046875 MB of memory in use. ENERGY: 3392200 3963.1539 20541.4471 14449.7413 251.9160 -203638.3467 2535.0482 0.0000 0.0000 52053.8207 -109843.2196 299.1540 -161897.0403 -109484.9688 298.7545 -152.2000 -125.5903 760596.2254 7.6769 7.5906 LDB: ============= START OF LOAD BALANCING ============== 10788 LDB: ============== END OF LOAD BALANCING =============== 10788 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10788 LDB: ============= START OF LOAD BALANCING ============== 10788.3 LDB: Largest compute 7078 load 0.033784 is 17.3% of average load 0.195539 LDB: Average compute 0.004403 is 2.3% of average load 0.195539 LDB: TIME 10788.3 LOAD: AVG 0.195539 MAX 0.218373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.723 MB LDB: TIME 10788.3 LOAD: AVG 0.195539 MAX 0.218373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: TIME 10788.3 LOAD: AVG 0.195539 MAX 0.215624 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: ============== END OF LOAD BALANCING =============== 10788.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10788.3 PRESSURE: 3392400 -21.3333 83.1505 80.2625 83.1499 133.02 165.884 80.2633 165.884 87.658 GPRESSURE: 3392400 32.8258 157.203 78.0845 92.8921 135.848 137.692 126.129 141.579 115.626 PRESSAVG: 3392400 -1.97021 15.4832 3.34258 15.4832 0.184433 -20.2649 3.34256 -20.265 12.0957 GPRESSAVG: 3392400 -1.80384 15.6083 1.94684 15.7504 -0.558477 -19.4132 3.32506 -20.5337 12.4939 TIMING: 3392400 CPU: 10776.2, 0.00319662/step Wall: 10776.2, 0.00319662/step, 1.42747 hours remaining, 234.390625 MB of memory in use. ENERGY: 3392400 3919.9547 20425.4598 14463.8742 256.8165 -203342.0021 2593.3177 0.0000 0.0000 51874.5080 -109808.0713 298.1235 -161682.5793 -109442.6464 298.4782 66.4481 94.7668 761301.1973 3.4367 3.3772 PRESSURE: 3392600 -117.174 74.8549 -69.1435 74.8544 -85.8842 -19.1262 -69.1437 -19.1271 247.202 GPRESSURE: 3392600 -96.2287 3.41358 -67.3644 42.9145 19.136 -76.8165 80.3358 -45.1734 190.659 PRESSAVG: 3392600 -18.7731 11.261 -6.09248 11.2609 10.7533 20.9554 -6.09251 20.9553 14.5462 GPRESSAVG: 3392600 -17.9402 12.4044 -4.34507 10.7344 10.47 20.1436 -5.42437 21.1357 13.9648 TIMING: 3392600 CPU: 10776.8, 0.00313355/step Wall: 10776.8, 0.00313355/step, 1.39913 hours remaining, 234.851562 MB of memory in use. ENERGY: 3392600 3951.2792 20450.7700 14539.2357 247.5695 -203436.1614 2430.4321 0.0000 0.0000 51915.4496 -109901.4253 298.3588 -161816.8749 -109540.7749 298.1537 14.7148 37.8555 761751.5159 2.1755 2.1649 PRESSURE: 3392800 -11.8918 98.2153 -243.484 98.2158 -32.4996 -8.89684 -243.484 -8.89765 20.0955 GPRESSURE: 3392800 68.7877 202.897 -183.851 77.009 -33.3639 -45.1038 -314.519 46.5616 19.6733 PRESSAVG: 3392800 -6.70128 -26.6661 15.2346 -26.6661 5.06326 16.29 15.2346 16.29 -5.28572 GPRESSAVG: 3392800 -6.68175 -25.7418 13.0362 -26.8337 5.72005 16.6837 16.5783 17.2274 -6.23747 TIMING: 3392800 CPU: 10777.4, 0.00313333/step Wall: 10777.4, 0.00313333/step, 1.39886 hours remaining, 234.851562 MB of memory in use. ENERGY: 3392800 3943.3892 20429.5925 14411.0832 217.5896 -203051.1366 2284.5627 0.0000 0.0000 51949.0565 -109815.8629 298.5519 -161764.9194 -109453.8163 298.1941 -8.0986 18.3657 761140.0371 -2.3079 -2.3997 PRESSURE: 3393000 -234.288 -70.6807 -46.1019 -70.6814 -142.938 -117.655 -46.1022 -117.653 116.633 GPRESSURE: 3393000 -185.486 -144.034 45.7564 -28.1068 -101.324 -11.3624 -239.808 -147.6 107.381 PRESSAVG: 3393000 13.0636 -31.5598 -34.9112 -31.5599 -37.3824 -11.5007 -34.9113 -11.5006 25.6997 GPRESSAVG: 3393000 12.6681 -31.8477 -32.9552 -31.2286 -36.2435 -13.6418 -36.081 -11.6777 25.1739 TIMING: 3393000 CPU: 10778.1, 0.00313386/step Wall: 10778.1, 0.00313386/step, 1.39892 hours remaining, 234.988281 MB of memory in use. ENERGY: 3393000 4001.6185 20464.4100 14489.5713 240.6557 -203596.9384 2635.1742 0.0000 0.0000 52253.4010 -109512.1077 300.3010 -161765.5088 -109156.2775 298.1772 -86.8643 -59.8095 761341.0684 0.4603 0.5328 PRESSURE: 3393200 20.7025 35.3981 -3.07684 35.3966 128.897 28.8452 -3.07726 28.8438 382.724 GPRESSURE: 3393200 67.0133 -20.5193 44.0579 39.673 156.324 -16.0593 -109.333 47.6405 416.795 PRESSAVG: 3393200 17.9657 -54.3815 14.4934 -54.3814 -7.96732 -1.47124 14.4934 -1.47127 14.6832 GPRESSAVG: 3393200 19.3547 -55.7991 12.4394 -52.57 -10.6227 1.36719 14.9674 -2.9176 16.2936 TIMING: 3393200 CPU: 10778.7, 0.0031506/step Wall: 10778.7, 0.0031506/step, 1.40622 hours remaining, 234.988281 MB of memory in use. ENERGY: 3393200 4130.7133 20506.8951 14527.9003 240.4707 -203513.2047 2470.8547 0.0000 0.0000 52050.5930 -109585.7774 299.1355 -161636.3705 -109231.9437 298.9112 177.4413 213.3775 759649.7389 8.2272 8.3419 PRESSURE: 3393400 28.8182 -81.7984 103.11 -81.798 0.701815 122.571 103.11 122.571 88.947 GPRESSURE: 3393400 71.9097 -110.465 166.369 -20.9849 93.5137 92.35 279.118 75.2776 31.6808 PRESSAVG: 3393400 40.085 19.1131 35.6144 19.113 10.5235 79.2646 35.6144 79.2646 -17.5578 GPRESSAVG: 3393400 38.6283 21.6265 36.8007 16.9545 11.541 77.8114 35.2328 79.3393 -17.178 TIMING: 3393400 CPU: 10779.3, 0.00314333/step Wall: 10779.3, 0.00314333/step, 1.4028 hours remaining, 234.988281 MB of memory in use. ENERGY: 3393400 4002.3876 20599.6463 14488.8938 233.9906 -203570.8503 2434.9837 0.0000 0.0000 52122.0023 -109688.9458 299.5459 -161810.9481 -109330.8034 299.4789 39.4890 65.7014 759040.6065 11.0169 10.9971 PRESSURE: 3393600 83.0026 5.67026 -100.716 5.67028 -45.2922 -12.8061 -100.716 -12.8058 176.857 GPRESSURE: 3393600 50.3422 98.8387 -74.3454 95.8137 20.0592 28.3679 -210.361 -49.3092 219.519 PRESSAVG: 3393600 24.5911 15.7397 71.6232 15.7397 -25.1503 28.7201 71.6232 28.7201 -9.98734 GPRESSAVG: 3393600 25.7574 15.5341 72.0207 14.9804 -24.8928 29.2406 70.2202 29.7304 -11.534 TIMING: 3393600 CPU: 10780, 0.00314159/step Wall: 10780, 0.00314159/step, 1.40185 hours remaining, 234.988281 MB of memory in use. ENERGY: 3393600 3923.3705 20577.2947 14468.8192 259.0654 -203434.2367 2491.8318 0.0000 0.0000 52054.4772 -109659.3779 299.1578 -161713.8551 -109284.6834 299.3933 71.5226 96.6400 760507.4860 -3.5155 -3.5565 PRESSURE: 3393800 4.13483 -5.5759 -202.672 -5.57588 40.949 2.24736 -202.671 2.24915 69.7875 GPRESSURE: 3393800 102.281 -13.8955 -214.36 -1.91563 100.379 86.1529 -132.316 -20.4842 19.0252 PRESSAVG: 3393800 -3.72908 -56.6206 -45.8426 -56.6205 7.70644 -8.50823 -45.8427 -8.50831 24.2906 GPRESSAVG: 3393800 -5.01465 -58.3433 -45.7246 -55.7508 8.16664 -7.78671 -44.9148 -9.16892 25.7153 TIMING: 3393800 CPU: 10780.6, 0.00313386/step Wall: 10780.6, 0.00313386/step, 1.39822 hours remaining, 234.988281 MB of memory in use. ENERGY: 3393800 4014.6856 20527.5593 14416.7827 231.4967 -203649.2249 2645.0931 0.0000 0.0000 51925.0446 -109888.5629 298.4139 -161813.6075 -109530.0438 298.6706 38.2904 73.8948 760371.8394 9.4227 9.6224 PRESSURE: 3394000 -103.133 -320.592 170.648 -320.592 -92.7915 -145.508 170.648 -145.507 -332.964 GPRESSURE: 3394000 -56.669 -318.756 218.07 -376.507 -75.4466 -190.718 319.966 -231.063 -294.803 PRESSAVG: 3394000 38.6576 -10.8431 4.83875 -10.8432 8.57801 -27.5139 4.83868 -27.514 9.79378 GPRESSAVG: 3394000 39.8717 -11.3219 5.21964 -9.90625 8.75301 -28.0539 4.48961 -28.1129 8.68956 TIMING: 3394000 CPU: 10781.2, 0.0031381/step Wall: 10781.2, 0.0031381/step, 1.39994 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3394000 3994.1773 20592.9301 14402.2067 237.6412 -203573.7379 2413.3140 0.0000 0.0000 52158.8641 -109774.6045 299.7577 -161933.4686 -109407.5581 298.9089 -176.2962 -142.3062 760753.3071 19.0098 19.1047 PRESSURE: 3394200 -256.649 196.155 -54.5245 196.154 -8.7741 97.7608 -54.5246 97.7615 228.979 GPRESSURE: 3394200 -223.249 217.391 -17.08 135.671 38.3583 152.468 -73.8378 152.235 255.996 PRESSAVG: 3394200 -24.0591 -41.4828 -25.6013 -41.4828 36.4495 -48.0078 -25.6012 -48.0077 -16.2546 GPRESSAVG: 3394200 -25.3266 -41.3987 -26.0265 -41.3947 36.5034 -47.7359 -24.7437 -46.2749 -15.8102 TIMING: 3394200 CPU: 10781.8, 0.0031318/step Wall: 10781.8, 0.0031318/step, 1.39696 hours remaining, 234.988281 MB of memory in use. ENERGY: 3394200 3993.7749 20462.5058 14449.1776 260.0890 -203512.3663 2554.9713 0.0000 0.0000 52030.5242 -109761.3235 299.0201 -161791.8477 -109397.7697 299.2663 -12.1479 23.7017 760124.8843 -1.2881 -1.5445 PRESSURE: 3394400 228.736 1.5303 -3.0564 1.53059 41.0189 -109.96 -3.05759 -109.961 237.968 GPRESSURE: 3394400 305.396 64.2623 -12.9441 -6.1097 39.1567 -142.001 1.38581 23.6019 236.76 PRESSAVG: 3394400 32.6059 -81.3771 -36.9012 -81.3772 -15.6838 15.4486 -36.9013 15.4485 5.09668 GPRESSAVG: 3394400 33.4055 -82.2081 -37.6095 -80.4483 -15.4408 13.577 -38.3451 15.2306 4.21982 TIMING: 3394400 CPU: 10782.5, 0.00312608/step Wall: 10782.5, 0.00312608/step, 1.39423 hours remaining, 234.988281 MB of memory in use. ENERGY: 3394400 3958.4762 20456.3024 14407.5417 232.9718 -203885.1124 2818.2141 0.0000 0.0000 52361.1328 -109650.4734 300.9202 -162011.6062 -109282.0724 298.9177 169.2412 193.7709 759426.2009 7.3396 7.3949 PRESSURE: 3394600 -191.865 54.7374 -58.0278 54.7377 -293.416 -110.624 -58.028 -110.623 70.7442 GPRESSURE: 3394600 -109.78 127.646 -42.569 86.5475 -261.252 -110.411 36.637 -70.7342 49.0888 PRESSAVG: 3394600 -65.6743 13.3904 -30.3266 13.3904 29.0592 -5.78594 -30.3266 -5.78587 -2.85761 GPRESSAVG: 3394600 -64.8512 12.2359 -29.6952 13.7868 27.7894 -5.53855 -29.4306 -5.0218 -2.20298 TIMING: 3394600 CPU: 10783.1, 0.00312777/step Wall: 10783.1, 0.00312777/step, 1.39481 hours remaining, 234.988281 MB of memory in use. ENERGY: 3394600 3945.6932 20594.9793 14474.8747 253.0739 -203666.1380 2773.8600 0.0000 0.0000 52210.8890 -109412.7680 300.0567 -161623.6570 -109045.7518 299.7527 -138.1787 -107.3142 760835.3922 -13.1576 -13.0882 PRESSURE: 3394800 110.615 8.04866 -153.82 8.04911 -137.701 -145.421 -153.821 -145.421 -63.2325 GPRESSURE: 3394800 174.96 -35.2987 -104.414 -10.4731 -75.9098 -13.3624 -142.596 -141.133 -103.936 PRESSAVG: 3394800 -72.8023 -45.9495 -61.0889 -45.9495 35.013 9.83095 -61.0889 9.83095 -0.285739 GPRESSAVG: 3394800 -73.8212 -44.5028 -60.8493 -47.1956 35.7144 11.2878 -61.858 7.86197 -0.18973 TIMING: 3394800 CPU: 10783.7, 0.00312455/step Wall: 10783.7, 0.00312455/step, 1.3932 hours remaining, 234.988281 MB of memory in use. ENERGY: 3394800 4013.5316 20510.3996 14543.7264 282.7794 -203798.5971 2755.7617 0.0000 0.0000 52240.7040 -109451.6944 300.2280 -161692.3983 -109080.0418 299.5622 -30.1064 -1.6287 759918.2507 -12.6917 -12.7655 PRESSURE: 3395000 -248.798 -11.2666 65.2684 -11.2662 -352.591 -178.113 65.2684 -178.113 -227.041 GPRESSURE: 3395000 -210.085 -53.7066 181.049 34.938 -372.129 -136.682 39.2615 -176.19 -169.113 PRESSAVG: 3395000 -53.9789 35.0214 -28.5772 35.0214 33.0565 27.8288 -28.5772 27.8288 -1.58982 GPRESSAVG: 3395000 -53.6154 35.4807 -28.6173 33.9023 30.5986 26.8852 -28.8918 29.5823 0.498609 TIMING: 3395000 CPU: 10784.3, 0.0031292/step Wall: 10784.3, 0.0031292/step, 1.3951 hours remaining, 234.988281 MB of memory in use. ENERGY: 3395000 4063.9743 20714.8104 14524.5827 232.2738 -203251.7780 2288.8698 0.0000 0.0000 52150.6035 -109276.6635 299.7102 -161427.2669 -108913.0639 299.9971 -276.1429 -250.4424 760333.8448 -7.5041 -7.5060 PRESSURE: 3395200 -23.0943 -160.257 49.1382 -160.258 -61.3283 -73.8559 49.1374 -73.8553 -165.704 GPRESSURE: 3395200 39.5334 -151.693 57.7141 -158.49 18.0581 0.43456 128.254 -62.2504 -193.535 PRESSAVG: 3395200 -51.9909 59.3241 -6.70045 59.3241 65.5504 34.6267 -6.70045 34.6268 14.403 GPRESSAVG: 3395200 -52.0668 58.7668 -9.29001 61.1826 67.0109 35.6838 -5.07566 33.9507 13.8448 TIMING: 3395200 CPU: 10785, 0.00312227/step Wall: 10785, 0.00312227/step, 1.39184 hours remaining, 234.988281 MB of memory in use. ENERGY: 3395200 4003.1754 20491.4098 14495.9693 235.3570 -203134.8971 2329.9698 0.0000 0.0000 52168.2501 -109410.7657 299.8117 -161579.0158 -109041.7231 300.7415 -83.3756 -45.3144 760423.9093 9.3209 9.5963 PRESSURE: 3395400 -164.88 5.95342 142.388 5.95494 -292.571 -98.3633 142.388 -98.3639 -208.767 GPRESSURE: 3395400 -126.847 24.2779 101.159 95.2029 -212.31 -177.707 220.41 -83.952 -234.202 PRESSAVG: 3395400 35.5765 -40.5972 -13.3186 -40.5972 19.6278 -8.72644 -13.3186 -8.72642 -1.1931 GPRESSAVG: 3395400 35.7755 -39.589 -9.36926 -39.832 20.5105 -10.2092 -14.9849 -9.17883 -2.03734 TIMING: 3395400 CPU: 10785.6, 0.00311866/step Wall: 10785.6, 0.00311866/step, 1.39006 hours remaining, 234.988281 MB of memory in use. ENERGY: 3395400 4047.0231 20634.9855 14497.6843 245.2380 -203397.5648 2735.0511 0.0000 0.0000 52084.0189 -109153.5640 299.3276 -161237.5828 -108794.2178 299.8226 -222.0725 -191.1198 760352.1105 18.0037 18.0829 PRESSURE: 3395600 197.206 75.6019 -309.796 75.6016 159.821 -47.8288 -309.796 -47.8293 388.368 GPRESSURE: 3395600 335.375 184.265 -316.633 -133.29 45.383 -150.049 -333.512 -121.457 447 PRESSAVG: 3395600 3.06693 48.2505 -12.6873 48.2505 13.495 -39.2932 -12.6873 -39.2933 7.38876 GPRESSAVG: 3395600 2.78528 47.8597 -15.0096 45.6211 13.3025 -37.5161 -11.3499 -40.6754 7.44008 TIMING: 3395600 CPU: 10786.2, 0.00311396/step Wall: 10786.2, 0.00311396/step, 1.38779 hours remaining, 234.988281 MB of memory in use. ENERGY: 3395600 4016.5439 20708.4006 14491.1849 231.5277 -203323.8530 2765.0348 0.0000 0.0000 52051.1684 -109059.9927 299.1388 -161111.1610 -108699.9379 300.1992 248.4650 275.9193 760255.5283 7.9836 7.8426 PRESSURE: 3395800 306.666 -85.1004 14.8294 -85.1004 154.319 71.421 14.8279 71.4204 -34.0802 GPRESSURE: 3395800 248.009 -6.41609 146.143 -145.065 229.892 90.4523 -85.24 90.1543 39.0014 PRESSAVG: 3395800 25.9984 -73.1802 -97.3965 -73.1802 -17.3036 -20.574 -97.3964 -20.5739 12.6309 GPRESSAVG: 3395800 25.3822 -72.0113 -97.27 -71.4682 -16.6844 -21.9792 -99.0321 -20.1002 12.8399 TIMING: 3395800 CPU: 10786.8, 0.00312159/step Wall: 10786.8, 0.00312159/step, 1.39101 hours remaining, 234.988281 MB of memory in use. ENERGY: 3395800 3926.7228 20603.5404 14551.0132 247.9879 -203380.8470 2395.5744 0.0000 0.0000 52445.4479 -109210.5604 301.4047 -161656.0084 -108843.3266 300.1514 142.3015 172.3007 759236.1629 7.1086 7.1792 PRESSURE: 3396000 15.1358 88.7272 97.0638 88.7264 -213.191 -163.279 97.064 -163.279 -36.0467 GPRESSURE: 3396000 97.0287 125.424 109.018 38.7354 -218.33 -123.826 -1.23335 -96.0591 -3.421 PRESSAVG: 3396000 92.8169 -19.5455 1.91484 -19.5456 -53.5647 9.5509 1.9148 9.55088 1.11805 GPRESSAVG: 3396000 92.9385 -21.6322 3.89393 -18.9857 -53.9062 10.0629 2.07316 10.4505 1.35223 TIMING: 3396000 CPU: 10787.5, 0.00313512/step Wall: 10787.5, 0.00313512/step, 1.39687 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3396000 3993.9042 20456.9024 14480.9181 262.4974 -203324.6537 2498.6096 0.0000 0.0000 52274.8008 -109357.0213 300.4240 -161631.8221 -108990.5907 300.0001 -78.0340 -41.5742 759843.6656 13.4568 13.4615 PRESSURE: 3396200 -62.629 67.5699 -171.063 67.5712 -428.846 55.7724 -171.063 55.7722 -209.146 GPRESSURE: 3396200 57.0602 36.8611 -90.5706 94.3363 -418.215 19.5712 -190.972 50.9859 -256.707 PRESSAVG: 3396200 6.74 31.3011 -54.7251 31.301 -32.658 -14.3492 -54.725 -14.3492 2.66872 GPRESSAVG: 3396200 8.63631 32.7829 -56.0484 30.2968 -34.0058 -13.7547 -55.2878 -12.4626 1.55594 TIMING: 3396200 CPU: 10788.1, 0.00311954/step Wall: 10788.1, 0.00311954/step, 1.38976 hours remaining, 234.988281 MB of memory in use. ENERGY: 3396200 4026.3534 20676.3840 14457.1000 271.9156 -203287.6839 2283.9389 0.0000 0.0000 52208.7444 -109363.2476 300.0444 -161571.9920 -109013.9106 300.0661 -233.5403 -205.9537 759661.0429 -7.7498 -7.9379 LDB: ============= START OF LOAD BALANCING ============== 10800.5 LDB: ============== END OF LOAD BALANCING =============== 10800.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10800.5 LDB: ============= START OF LOAD BALANCING ============== 10800.8 LDB: Largest compute 7063 load 0.031369 is 16.0% of average load 0.195579 LDB: Average compute 0.004374 is 2.2% of average load 0.195579 LDB: TIME 10800.8 LOAD: AVG 0.195579 MAX 0.218093 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.211 MB LDB: TIME 10800.8 LOAD: AVG 0.195579 MAX 0.218093 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 10800.8 LOAD: AVG 0.195579 MAX 0.218093 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 10800.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10800.8 PRESSURE: 3396400 237.332 -53.3347 315.05 -53.335 -76.0353 -7.47032 315.05 -7.47058 -323.143 GPRESSURE: 3396400 148.37 -113.323 322.618 6.45311 -36.2213 -7.97136 153.7 -54.6668 -196.204 PRESSAVG: 3396400 52.4691 4.59963 25.4116 4.59964 -28.5783 -39.8285 25.4115 -39.8285 13.56 GPRESSAVG: 3396400 50.1764 3.04983 24.6239 4.7688 -26.7123 -40.8629 27.4501 -40.8819 14.2111 TIMING: 3396400 CPU: 10788.7, 0.00320888/step Wall: 10788.7, 0.00320888/step, 1.42938 hours remaining, 233.304688 MB of memory in use. ENERGY: 3396400 4079.9115 20670.5689 14470.6214 259.7396 -203447.4189 2484.3399 0.0000 0.0000 52121.5478 -109360.6899 299.5433 -161482.2376 -108999.3964 299.9992 -53.9486 -28.0183 760393.9950 12.4836 12.5584 PRESSURE: 3396600 -195.951 -161.725 -241.214 -161.726 158.202 -133.957 -241.214 -133.956 -154.043 GPRESSURE: 3396600 -204.249 -52.5842 -229.754 -142.412 184.392 -162.077 -201.427 -136.356 -103.381 PRESSAVG: 3396600 16.0757 -9.49943 45.7516 -9.4994 -54.8463 -4.4637 45.7515 -4.4638 8.85816 GPRESSAVG: 3396600 15.6864 -11.3876 46.4956 -8.66379 -54.3623 -3.99348 45.2584 -6.01589 8.80402 TIMING: 3396600 CPU: 10789.4, 0.00311188/step Wall: 10789.4, 0.00311188/step, 1.386 hours remaining, 233.304688 MB of memory in use. ENERGY: 3396600 4075.0244 20463.1075 14501.6952 226.8541 -202983.5458 2248.3666 0.0000 0.0000 52165.7032 -109302.7947 299.7970 -161468.4980 -108939.9865 299.8582 -63.9303 -41.0792 759913.0934 -9.9708 -9.9573 PRESSURE: 3396800 28.4224 -138.62 59.2541 -138.62 -16.4604 -32.2857 59.2536 -32.2856 -152.05 GPRESSURE: 3396800 65.9528 -201.822 144.831 -108.893 19.0199 1.80665 -15.3253 -163.806 -151.008 PRESSAVG: 3396800 9.50265 -48.3059 0.829673 -48.306 -28.1421 -46.7828 0.82967 -46.7828 -1.85845 GPRESSAVG: 3396800 10.9956 -47.3235 1.29084 -48.8528 -28.519 -46.072 0.993336 -47.8335 -2.68048 TIMING: 3396800 CPU: 10790, 0.00312225/step Wall: 10790, 0.00312225/step, 1.39044 hours remaining, 233.304688 MB of memory in use. ENERGY: 3396800 4065.0139 20644.3761 14535.0311 237.2536 -203295.5188 2457.7447 0.0000 0.0000 52062.9147 -109293.1847 299.2063 -161356.0994 -108935.9971 299.9903 -46.6960 -22.0118 760197.0568 -6.8326 -6.7346 PRESSURE: 3397000 -164.449 -244.596 13.0475 -244.596 -181.158 75.6556 13.0476 75.6557 196.441 GPRESSURE: 3397000 -162.634 -156.321 -42.4898 -105.345 -82.5454 76.2023 126.033 165.317 195.115 PRESSAVG: 3397000 17.9233 -24.77 -19.7683 -24.77 -31.4322 -36.7105 -19.7683 -36.7104 4.94036 GPRESSAVG: 3397000 17.3329 -23.5648 -21.7685 -23.614 -33.284 -36.131 -20.0549 -35.7154 6.56766 TIMING: 3397000 CPU: 10790.6, 0.00315507/step Wall: 10790.6, 0.00315507/step, 1.40488 hours remaining, 233.375000 MB of memory in use. ENERGY: 3397000 4042.3316 20676.4939 14451.2935 245.9456 -203493.6420 2560.7286 0.0000 0.0000 52023.9438 -109492.9050 298.9823 -161516.8489 -109132.7052 299.6424 -49.7219 -16.6881 760527.8903 -2.8562 -3.1278 PRESSURE: 3397200 -60.7012 107.426 -191.414 107.426 -212.391 104.51 -191.414 104.51 -178.149 GPRESSURE: 3397200 5.12619 50.0154 -140.329 -66.7114 -207.506 10.715 -259.569 -37.0658 -159.802 PRESSAVG: 3397200 81.7003 -35.8179 -25.1204 -35.8178 -46.7772 -2.91963 -25.1204 -2.91962 14.7605 GPRESSAVG: 3397200 81.3904 -36.9787 -24.125 -38.3233 -45.4428 -3.97095 -25.6581 -1.6522 14.0236 TIMING: 3397200 CPU: 10791.2, 0.00313848/step Wall: 10791.2, 0.00313848/step, 1.39732 hours remaining, 233.375000 MB of memory in use. ENERGY: 3397200 4073.6884 20649.8552 14517.3580 244.0836 -203207.9446 2326.4553 0.0000 0.0000 51942.2824 -109454.2217 298.5130 -161396.5041 -109085.4983 299.6340 -150.4139 -120.7275 759922.7862 16.5612 16.6571 PRESSURE: 3397400 -32.5147 4.23954 124.541 4.23904 -310.148 -347.411 124.542 -347.412 257.589 GPRESSURE: 3397400 43.9525 65.4998 88.185 -25.3792 -251.326 -295.968 65.6713 -240.293 204.499 PRESSAVG: 3397400 53.7002 5.28529 2.6828 5.28528 -57.7716 -49.8956 2.68288 -49.8956 -9.41252 GPRESSAVG: 3397400 53.5406 5.54661 3.23285 5.63861 -57.3771 -50.4044 3.07157 -51.2034 -10.3791 TIMING: 3397400 CPU: 10791.9, 0.00311708/step Wall: 10791.9, 0.00311708/step, 1.38762 hours remaining, 233.375000 MB of memory in use. ENERGY: 3397400 3994.5924 20593.6539 14449.7060 251.2971 -203118.7463 2421.1404 0.0000 0.0000 52128.6749 -109279.6816 299.5842 -161408.3565 -108908.8266 299.7670 -28.3581 -0.9582 761522.9925 -4.4947 -4.7385 PRESSURE: 3397600 451.268 44.2 83.6004 44.1991 -53.4777 11.6555 83.6004 11.6557 -14.2679 GPRESSURE: 3397600 366.795 25.6296 81.4547 -80.3402 28.068 10.4017 137.364 53.3616 75.2829 PRESSAVG: 3397600 26.6237 -59.6814 20.2181 -59.6814 -41.9088 -28.0358 20.218 -28.0358 8.68978 GPRESSAVG: 3397600 27.9692 -59.6846 20.2087 -60.2035 -43.9581 -28.9514 20.2127 -24.8922 9.88625 TIMING: 3397600 CPU: 10792.5, 0.00313919/step Wall: 10792.5, 0.00313919/step, 1.39729 hours remaining, 233.375000 MB of memory in use. ENERGY: 3397600 4012.1548 20605.0422 14503.6490 229.6504 -203484.0664 2729.8750 0.0000 0.0000 52066.8031 -109336.8919 299.2286 -161403.6950 -108977.0385 299.0662 127.8408 156.7153 759432.2112 -2.1984 -2.0342 PRESSURE: 3397800 150.447 139.154 -58.2688 139.154 129.02 -130.671 -58.2692 -130.672 -10.456 GPRESSURE: 3397800 277.475 188.203 -58.9115 73.6569 143.951 -55.7034 -92.3005 -122.252 -78.1281 PRESSAVG: 3397800 54.285 -110.139 -11.2668 -110.139 -17.1737 -26.9131 -11.2668 -26.9132 -2.8329 GPRESSAVG: 3397800 52.8514 -111.119 -10.6072 -108.903 -16.5317 -27.2187 -11.7698 -27.9861 -2.23104 TIMING: 3397800 CPU: 10793.1, 0.00313284/step Wall: 10793.1, 0.00313284/step, 1.39429 hours remaining, 233.375000 MB of memory in use. ENERGY: 3397800 3985.3033 20534.8173 14513.7152 235.3477 -203285.5142 2548.7637 0.0000 0.0000 52317.1921 -109150.3748 300.6676 -161467.5669 -108782.3169 299.5940 89.6704 114.4327 760355.3713 11.4261 11.3629 PRESSURE: 3398000 -242.857 -127.46 185.387 -127.46 -39.7825 -78.7 185.387 -78.6995 -53.9607 GPRESSURE: 3398000 -131.58 -116.453 164.431 -91.7312 -48.5874 -58.3347 176.836 27.3698 -73.0995 PRESSAVG: 3398000 -46.1641 -27.5846 9.83631 -27.5846 -7.26537 8.15297 9.8363 8.15293 23.2902 GPRESSAVG: 3398000 -45.2315 -27.3432 7.26654 -27.8904 -6.81679 8.67834 10.4872 5.82839 21.895 TIMING: 3398000 CPU: 10793.7, 0.00311327/step Wall: 10793.7, 0.00311327/step, 1.3854 hours remaining, 233.375000 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: 3398000 3965.9592 20739.2283 14576.4488 225.3643 -203253.4847 2368.9464 0.0000 0.0000 52047.3216 -109330.2163 299.1167 -161377.5379 -108953.9934 300.2013 -112.2002 -84.4221 760016.0221 -10.0464 -10.0511 PRESSURE: 3398200 -95.9116 -146.299 201.762 -146.299 -339.982 -173.762 201.762 -173.762 318.099 GPRESSURE: 3398200 -49.9558 -179.434 106.214 -97.4949 -245.217 -176.593 208.98 -212.486 269.194 PRESSAVG: 3398200 -7.78481 -24.5983 0.789792 -24.5983 26.7035 -37.9189 0.789796 -37.9188 -10.8419 GPRESSAVG: 3398200 -7.78361 -22.8577 2.17848 -24.2605 26.5086 -36.9928 -0.562289 -38.2165 -10.1708 TIMING: 3398200 CPU: 10794.4, 0.00314284/step Wall: 10794.4, 0.00314284/step, 1.39839 hours remaining, 233.375000 MB of memory in use. ENERGY: 3398200 3920.1986 20721.5452 14528.6931 255.5426 -203422.2780 2498.2577 0.0000 0.0000 52242.2224 -109255.8184 300.2368 -161498.0408 -108884.8092 300.2948 -39.2649 -8.6597 759817.4484 2.6923 2.8514 PRESSURE: 3398400 -571.269 -292.926 -94.4788 -292.926 -241.889 -170.64 -94.4785 -170.639 123.161 GPRESSURE: 3398400 -495.119 -180.413 -67.4443 -279.569 -231.747 -116.774 -168.471 -13.0677 105.927 PRESSAVG: 3398400 53.9489 -68.4055 46.8329 -68.4055 -72.3478 -40.8034 46.8329 -40.8034 4.66714 GPRESSAVG: 3398400 52.4533 -69.2144 46.9166 -68.8139 -71.9457 -40.8394 46.0271 -39.3867 4.90591 TIMING: 3398400 CPU: 10795, 0.00314718/step Wall: 10795, 0.00314718/step, 1.40014 hours remaining, 233.375000 MB of memory in use. ENERGY: 3398400 3955.7090 20655.9405 14472.4445 261.0939 -202995.7163 2211.3272 0.0000 0.0000 52123.8364 -109315.3648 299.5564 -161439.2012 -108946.3280 300.1643 -229.9990 -206.9796 762930.0677 -4.5773 -4.8622 PRESSURE: 3398600 112.526 -39.1123 62.77 -39.1122 154.308 335.696 62.7707 335.696 25.5113 GPRESSURE: 3398600 41.4385 -62.3708 122.924 -70.3052 284.946 300.552 54.2918 219.881 20.7112 PRESSAVG: 3398600 7.71198 -27.8568 32.1848 -27.8569 -42.6632 38.4071 32.1847 38.4071 -9.46505 GPRESSAVG: 3398600 8.3576 -28.0692 32.7791 -27.4066 -42.1856 37.0938 29.8208 38.505 -10.7494 TIMING: 3398600 CPU: 10795.6, 0.00313951/step Wall: 10795.6, 0.00313951/step, 1.39656 hours remaining, 233.375000 MB of memory in use. ENERGY: 3398600 4024.6880 20629.6511 14392.6214 228.4015 -203133.8517 2543.2913 0.0000 0.0000 51908.7298 -109406.4686 298.3202 -161315.1984 -109051.0775 299.2930 97.4486 115.6987 761332.4698 -14.8054 -14.8591 PRESSURE: 3398800 125.798 -48.4021 148.808 -48.4018 -252.022 11.8509 148.808 11.8507 -47.4633 GPRESSURE: 3398800 196.861 -49.1785 38.4693 -36.9081 -222.018 43.4424 241.721 -93.211 -70.7381 PRESSAVG: 3398800 43.5607 -72.6285 59.2105 -72.6285 -18.9461 57.4479 59.2105 57.4478 23.3976 GPRESSAVG: 3398800 43.8762 -71.582 56.1561 -73.4951 -19.2529 58.6719 63.915 56.336 23.2045 TIMING: 3398800 CPU: 10796.3, 0.00316202/step Wall: 10796.3, 0.00316202/step, 1.40639 hours remaining, 233.375000 MB of memory in use. ENERGY: 3398800 4059.0425 20628.5336 14380.6534 253.8748 -203311.3226 2565.0207 0.0000 0.0000 51726.5159 -109697.6818 297.2730 -161424.1977 -109334.0140 298.9705 -57.8959 -31.9652 760794.1698 16.0041 15.9426 PRESSURE: 3399000 25.8208 124.992 76.8542 124.992 -165.537 -196.113 76.8538 -196.112 57.5637 GPRESSURE: 3399000 56.7377 112.487 75.5761 219.709 -160.581 -182.749 96.6292 -54.5312 122.838 PRESSAVG: 3399000 80.8415 -18.8469 36.4144 -18.847 -74.7135 36.4147 36.4144 36.4146 7.79183 GPRESSAVG: 3399000 81.7104 -18.2276 38.0689 -18.901 -76.18 37.7056 34.2604 37.2772 8.65312 TIMING: 3399000 CPU: 10796.9, 0.00315547/step Wall: 10796.9, 0.00315547/step, 1.40331 hours remaining, 233.375000 MB of memory in use. ENERGY: 3399000 3963.1685 20560.6191 14529.4127 263.8255 -203332.5207 2267.2294 0.0000 0.0000 51988.1205 -109760.1450 298.7764 -161748.2654 -109400.7834 298.6855 -27.3842 6.3317 760591.3072 4.6399 4.7279 PRESSURE: 3399200 -274.789 -143.054 77.8077 -143.054 77.0085 -17.5106 77.8084 -17.5104 68.3746 GPRESSURE: 3399200 -186.711 -20.313 27.1997 -97.6194 3.706 35.016 94.0692 93.017 138.531 PRESSAVG: 3399200 21.6245 9.31311 12.1224 9.31312 8.38999 -6.51171 12.1224 -6.51173 -19.8668 GPRESSAVG: 3399200 21.5662 8.65159 13.0354 8.21911 7.98726 -6.10346 12.6015 -8.57207 -19.7306 TIMING: 3399200 CPU: 10797.5, 0.00313462/step Wall: 10797.5, 0.00313462/step, 1.39386 hours remaining, 233.375000 MB of memory in use. ENERGY: 3399200 3992.5414 20509.6093 14446.1848 237.2327 -203182.7921 2352.9707 0.0000 0.0000 52050.9458 -109593.3075 299.1375 -161644.2533 -109221.5985 298.9230 -43.1354 -14.8246 762000.7350 3.3826 3.2743 PRESSURE: 3399400 -87.7698 -309.12 -287.489 -309.119 -262.242 -118.432 -287.49 -118.432 -110.308 GPRESSURE: 3399400 -69.4328 -317.541 -306.815 -319.71 -207.775 -120.28 -317.462 -79.0574 -97.1453 PRESSAVG: 3399400 64.2643 -42.6584 24.1237 -42.6584 -40.5185 11.1531 24.1237 11.153 3.83547 GPRESSAVG: 3399400 61.812 -42.0468 24.3787 -40.5508 -38.6407 10.5757 24.0589 12.7238 4.62417 TIMING: 3399400 CPU: 10798.1, 0.00313435/step Wall: 10798.1, 0.00313435/step, 1.39357 hours remaining, 233.375000 MB of memory in use. ENERGY: 3399400 3999.2151 20517.1592 14443.1747 250.0906 -203586.6812 2657.2187 0.0000 0.0000 52054.0614 -109665.7615 299.1554 -161719.8229 -109304.5666 299.0138 -153.4401 -124.7843 762026.1663 9.1938 9.2652 PRESSURE: 3399600 20.4064 -20.5015 55.9359 -20.5008 -128.342 29.5512 55.9365 29.5513 81.1903 GPRESSURE: 3399600 -6.77792 -82.1565 150.39 5.66433 34.9237 100.286 172.914 -58.3453 19.5064 PRESSAVG: 3399600 60.6561 -33.9587 -14.5666 -33.9586 -39.083 -6.34655 -14.5666 -6.3465 11.7565 GPRESSAVG: 3399600 60.9213 -35.06 -13.6351 -34.7478 -38.3618 -7.63493 -14.3671 -4.56907 10.9341 TIMING: 3399600 CPU: 10798.8, 0.00313881/step Wall: 10798.8, 0.00313881/step, 1.39537 hours remaining, 233.375000 MB of memory in use. ENERGY: 3399600 3976.7100 20633.0509 14424.6024 249.7169 -203317.2628 2551.4827 0.0000 0.0000 51937.4875 -109544.2125 298.4855 -161481.7000 -109171.5825 298.6783 -8.9152 15.8840 761330.9975 11.1099 11.1645 PRESSURE: 3399800 236.06 129.84 93.4879 129.841 206.091 -354.291 93.4884 -354.29 -167.513 GPRESSURE: 3399800 261.323 187.814 78.8577 96.6162 213.738 -287.838 -9.33135 -261.64 -117.861 PRESSAVG: 3399800 80.8353 -38.9566 26.3075 -38.9566 -67.9176 21.1213 26.3076 21.1213 -16.7399 GPRESSAVG: 3399800 80.9891 -37.3454 24.4928 -40.7836 -66.9215 21.9877 26.5019 18.9609 -17.5761 TIMING: 3399800 CPU: 10799.4, 0.00313388/step Wall: 10799.4, 0.00313388/step, 1.39301 hours remaining, 233.375000 MB of memory in use. ENERGY: 3399800 3992.7608 20449.9854 14415.2568 247.6588 -203346.1401 2578.6880 0.0000 0.0000 52023.1850 -109638.6052 298.9780 -161661.7902 -109273.8356 298.9412 91.5463 119.0668 761888.7356 -1.2741 -1.1695 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400000 -90.4306 -199.866 -8.38877 -199.866 -578.979 71.0228 -8.38829 71.0226 12.4088 GPRESSURE: 3400000 -39.7644 -217.76 -24.6593 -287.853 -575.374 37.339 64.7952 84.0812 43.5695 PRESSAVG: 3400000 51.1739 -83.9658 59.1313 -83.9659 -52.432 16.6359 59.1313 16.6359 4.40497 GPRESSAVG: 3400000 50.0101 -84.9668 60.1224 -81.9075 -53.1801 15.1017 58.2383 17.4672 6.56163 TIMING: 3400000 CPU: 10800, 0.0032484/step Wall: 10800, 0.0032484/step, 1.44374 hours remaining, 233.375000 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: 3400000 4013.2943 20541.4326 14466.0618 268.3105 -203536.6573 2556.8138 0.0000 0.0000 51964.4860 -109726.2583 298.6406 -161690.7443 -109359.9304 298.4396 -219.0002 -190.5230 762727.8688 1.0490 1.1306 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 PRESSURE: 3400200 117.619 -66.6161 -38.4481 -66.6173 -35.8527 -44.9926 -38.4475 -44.9942 92.1597 GPRESSURE: 3400200 141.768 -117.594 -115.489 -108.029 36.5914 -15.4922 20.5759 59.4324 80.5913 PRESSAVG: 3400200 103.336 -42.7764 64.684 -42.7764 -73.1794 11.2982 64.6841 11.2982 11.8939 GPRESSAVG: 3400200 103.855 -42.6272 64.8942 -43.1601 -72.7036 12.2557 65.8777 10.8322 11.0725 TIMING: 3400200 CPU: 10800.7, 0.0031498/step Wall: 10800.7, 0.0031498/step, 1.39974 hours remaining, 233.375000 MB of memory in use. ENERGY: 3400200 3939.2983 20499.4047 14430.0762 235.6014 -203261.4265 2387.5909 0.0000 0.0000 52378.8804 -109390.5746 301.0221 -161769.4550 -109024.9041 298.9677 57.9755 86.3168 761382.3326 14.0168 14.0746 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 7036 load 0.030967 is 15.8% of average load 0.195647 LDB: Average compute 0.004368 is 2.2% of average load 0.195647 LDB: TIME 10813.4 LOAD: AVG 0.195647 MAX 0.219558 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.938 MB LDB: TIME 10813.4 LOAD: AVG 0.195647 MAX 0.219558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.195 MB LDB: TIME 10813.4 LOAD: AVG 0.195647 MAX 0.217406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.195 MB 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: 3400400 90.2906 177.286 289.718 177.287 140.678 18.179 289.717 18.1792 -131.372 GPRESSURE: 3400400 26.0665 191.204 236.919 123.664 227.353 -2.01558 284.694 59.3848 -44.4747 PRESSAVG: 3400400 39.1647 12.5409 10.9463 12.5409 -44.208 -3.74039 10.9464 -3.74043 16.5543 GPRESSAVG: 3400400 39.7648 13.3008 10.1846 10.4034 -45.3632 -2.91253 10.473 -4.03105 17.0732 TIMING: 3400400 CPU: 10801.3, 0.0031966/step Wall: 10801.3, 0.0031966/step, 1.42035 hours remaining, 233.093750 MB of memory in use. ENERGY: 3400400 3964.2504 20588.2073 14407.8243 250.5143 -203501.5066 2594.2297 0.0000 0.0000 52211.8905 -109484.5902 300.0625 -161696.4807 -109117.3758 299.4650 33.1988 69.6484 759415.7292 3.8370 3.8249 PRESSURE: 3400600 43.6145 73.3347 -188.203 73.3351 344.405 -51.3708 -188.202 -51.3708 -411.483 GPRESSURE: 3400600 101.657 158.059 -143.836 119.052 357.204 -57.0557 -231.035 -88.255 -380.348 PRESSAVG: 3400600 77.2201 -30.4707 -16.2965 -30.4706 -67.7176 7.27327 -16.2965 7.27329 17.8686 GPRESSAVG: 3400600 77.268 -30.2405 -16.2658 -27.9315 -67.5366 4.93822 -17.0246 9.55137 17.3641 TIMING: 3400600 CPU: 10801.9, 0.00313175/step Wall: 10801.9, 0.00313175/step, 1.39137 hours remaining, 233.296875 MB of memory in use. ENERGY: 3400600 3944.1572 20494.8750 14523.7484 275.5999 -203479.3416 2596.4813 0.0000 0.0000 52248.9958 -109395.4840 300.2757 -161644.4798 -109030.3926 299.6394 -7.8213 26.1713 761521.7904 9.1237 9.0318 PRESSURE: 3400800 282.857 -105.293 19.488 -105.294 70.6129 193.393 19.4893 193.392 -117.128 GPRESSURE: 3400800 312.732 -38.1328 12.1978 -151.755 53.6233 239.65 45.5136 81.0656 -66.5328 PRESSAVG: 3400800 10.2283 -35.5709 -17.4139 -35.5709 -23.5166 -42.1862 -17.4139 -42.1862 -13.7558 GPRESSAVG: 3400800 10.0546 -34.0028 -17.5435 -36.5399 -22.8454 -41.458 -15.2055 -43.8666 -14.2448 TIMING: 3400800 CPU: 10802.6, 0.00314371/step Wall: 10802.6, 0.00314371/step, 1.3965 hours remaining, 233.296875 MB of memory in use. ENERGY: 3400800 4067.7035 20497.1102 14472.3361 248.7613 -203478.2704 2511.5253 0.0000 0.0000 52019.3820 -109661.4520 298.9561 -161680.8341 -109304.2854 299.2372 78.7806 99.9408 759821.5952 -9.0147 -9.0119 PRESSURE: 3401000 -236.075 35.0191 174.868 35.0189 30.4722 90.0548 174.868 90.0535 -219.722 GPRESSURE: 3401000 -215.579 165.226 201.802 98.5221 -47.6303 -14.0991 302.239 59.4663 -88.7224 PRESSAVG: 3401000 54.8049 0.470781 26.8741 0.470763 -38.8519 29.8306 26.8741 29.8306 -3.36003 GPRESSAVG: 3401000 54.885 -1.00675 27.9862 1.02566 -39.8277 30.311 27.6951 30.298 -2.71026 TIMING: 3401000 CPU: 10803.2, 0.0031215/step Wall: 10803.2, 0.00312149/step, 1.38646 hours remaining, 233.296875 MB of memory in use. ENERGY: 3401000 3992.8712 20600.3911 14452.1655 249.0855 -203453.6534 2305.4106 0.0000 0.0000 51962.3640 -109891.3654 298.6284 -161853.7294 -109524.2547 298.4038 -141.7747 -117.3106 761341.8458 4.1977 4.1157 PRESSURE: 3401200 -58.1134 -59.4487 47.8061 -59.4488 -45.4065 48.2635 47.8065 48.2625 -18.3744 GPRESSURE: 3401200 -7.65619 -148.478 8.72665 -118.795 1.90711 83.8652 98.8217 -10.6584 -27.0866 PRESSAVG: 3401200 41.5176 -47.5036 2.92175 -47.5037 -48.8204 44.1128 2.92175 44.1128 10.4133 GPRESSAVG: 3401200 42.6059 -46.1798 2.23424 -47.8957 -48.7471 45.2192 0.854404 43.3771 9.37357 TIMING: 3401200 CPU: 10803.8, 0.00312536/step Wall: 10803.8, 0.00312536/step, 1.38801 hours remaining, 233.296875 MB of memory in use. ENERGY: 3401200 4018.6530 20598.4087 14453.4983 264.2625 -203736.4386 2648.8887 0.0000 0.0000 51834.9471 -109917.7803 297.8962 -161752.7274 -109549.7808 298.2130 -40.6314 -10.9452 759635.1006 1.0368 1.0775 PRESSURE: 3401400 -111.798 -180.287 35.3799 -180.286 -263.884 222.672 35.3793 222.671 -55.3249 GPRESSURE: 3401400 -64.3047 -177.805 74.5539 -129.395 -277.329 205.623 28.5926 251.303 -4.75923 PRESSAVG: 3401400 -1.63823 -48.2611 61.0721 -48.2611 20.3539 31.1514 61.0721 31.1515 13.624 GPRESSAVG: 3401400 -1.22827 -48.5914 61.8881 -48.0171 21.3118 30.2604 61.0993 31.1621 12.4304 TIMING: 3401400 CPU: 10804.4, 0.00312864/step Wall: 10804.4, 0.00312864/step, 1.38929 hours remaining, 233.296875 MB of memory in use. ENERGY: 3401400 3878.8771 20579.4764 14514.6984 242.6057 -203334.1850 2431.1401 0.0000 0.0000 51921.9232 -109765.4642 298.3960 -161687.3874 -109407.6014 298.8570 -143.6689 -115.4645 759864.8268 10.7799 10.8380 PRESSURE: 3401600 -225.465 -156.944 -51.1983 -156.944 327.363 140.059 -51.1988 140.06 -211.385 GPRESSURE: 3401600 -160.966 -84.7041 17.8219 -122.534 283.602 94.796 -19.7221 16.2417 -136.734 PRESSAVG: 3401600 36.5388 21.544 41.8655 21.5441 8.63307 28.8815 41.8654 28.8817 0.105447 GPRESSAVG: 3401600 37.1141 19.5941 41.5016 23.3556 7.72202 28.4888 42.2823 28.8418 -0.0103394 TIMING: 3401600 CPU: 10805.1, 0.00312185/step Wall: 10805.1, 0.00312185/step, 1.3861 hours remaining, 233.296875 MB of memory in use. ENERGY: 3401600 3966.1599 20477.9480 14510.4738 252.3373 -203311.5491 2277.7352 0.0000 0.0000 52060.7967 -109766.0983 299.1941 -161826.8949 -109395.8349 298.7558 -36.4957 -4.6992 758930.1945 15.0925 14.9419 PRESSURE: 3401800 -214.258 101.111 -229.543 101.111 124.002 -93.5757 -229.543 -93.5763 -237.304 GPRESSURE: 3401800 -178.964 44.3074 -276.486 91.6699 50.544 -66.946 -313.466 23.0361 -123.673 PRESSAVG: 3401800 44.2458 13.3289 -21.6566 13.3289 -38.338 35.2755 -21.6566 35.2755 -16.0648 GPRESSAVG: 3401800 43.4776 16.1129 -21.8109 12.3241 -37.9944 35.1803 -22.7745 35.6601 -15.2025 TIMING: 3401800 CPU: 10805.7, 0.00312223/step Wall: 10805.7, 0.00312223/step, 1.3861 hours remaining, 233.296875 MB of memory in use. ENERGY: 3401800 4036.3976 20610.8659 14484.9229 260.3414 -203481.1656 2364.7856 0.0000 0.0000 51956.8261 -109767.0261 298.5966 -161723.8522 -109404.6760 298.5009 -109.1866 -84.0311 758618.0597 -3.3857 -3.2397 PRESSURE: 3402000 519.236 -82.3156 -83.0881 -82.315 43.8563 29.6271 -83.0882 29.6264 -407.489 GPRESSURE: 3402000 540.218 49.6939 -41.3162 -132.935 60.4946 -63.4855 -69.7701 -37.0592 -357.26 PRESSAVG: 3402000 10.862 35.4649 -8.96947 35.4649 -40.7648 8.69996 -8.96946 8.69988 14.4975 GPRESSAVG: 3402000 10.1694 32.5656 -8.50045 36.2914 -40.563 7.51501 -9.12325 9.81353 15.4114 TIMING: 3402000 CPU: 10806.3, 0.00311108/step Wall: 10806.3, 0.00311108/step, 1.38097 hours remaining, 233.296875 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: 3402000 4059.4610 20584.7768 14456.0103 251.2630 -203660.2854 2666.3045 0.0000 0.0000 52187.7576 -109454.7121 299.9238 -161642.4697 -109087.3502 298.9962 51.8677 81.1511 759864.5886 -5.1351 -4.9941 PRESSURE: 3402200 105.365 -38.2651 -10.7404 -38.2653 45.3439 242.04 -10.7405 242.041 265.141 GPRESSURE: 3402200 115.115 -29.4164 32.8752 9.54624 61.8665 218.625 23.338 192.086 300.961 PRESSAVG: 3402200 -13.3959 14.8784 -61.6778 14.8785 24.9465 -8.65823 -61.6778 -8.65816 14.327 GPRESSAVG: 3402200 -14.2146 16.4605 -62.7698 12.771 25.9004 -8.0296 -61.3519 -10.8052 14.0774 TIMING: 3402200 CPU: 10806.9, 0.00309532/step Wall: 10806.9, 0.00309532/step, 1.37381 hours remaining, 233.296875 MB of memory in use. ENERGY: 3402200 3929.3305 20688.2139 14523.1598 228.2931 -203413.9028 2436.9753 0.0000 0.0000 52041.8845 -109566.0456 299.0854 -161607.9302 -109203.4184 299.8054 138.6165 159.3144 759105.2693 8.6259 8.5877 PRESSURE: 3402400 -256.742 -45.9033 -97.5073 -45.9051 -91.2518 -231.896 -97.5072 -231.896 -225.535 GPRESSURE: 3402400 -228.957 11.6686 -128.353 -22.5438 -76.0214 -268.44 -124.642 -132.75 -186.716 PRESSAVG: 3402400 22.4694 -15.6155 26.4027 -15.6155 -33.9559 43.9264 26.4027 43.9264 -20.3623 GPRESSAVG: 3402400 23.8407 -15.6254 26.8931 -14.2122 -35.7888 44.3719 24.8435 45.3618 -19.4071 TIMING: 3402400 CPU: 10807.6, 0.00310134/step Wall: 10807.6, 0.00310134/step, 1.3763 hours remaining, 233.296875 MB of memory in use. ENERGY: 3402400 4029.1580 20555.3116 14531.0863 245.4461 -203286.5186 2435.0328 0.0000 0.0000 51988.3679 -109502.1159 298.7779 -161490.4838 -109145.7038 299.6575 -191.1762 -163.8980 762693.6203 -10.6163 -10.4517 PRESSURE: 3402600 -176.441 -59.5602 133.304 -59.5597 22.8274 -97.1277 133.304 -97.1286 19.5438 GPRESSURE: 3402600 -118.823 -10.6576 131.028 -121.026 20.8669 -130.092 282.611 -167.586 36.8546 PRESSAVG: 3402600 6.96526 -50.8551 -12.8856 -50.8552 -38.1544 22.2902 -12.8856 22.2902 -0.627011 GPRESSAVG: 3402600 6.47797 -51.229 -14.0618 -51.5077 -35.8611 21.0841 -9.81067 23.6106 -2.30169 TIMING: 3402600 CPU: 10808.2, 0.00312289/step Wall: 10808.2, 0.00312289/step, 1.3857 hours remaining, 233.296875 MB of memory in use. ENERGY: 3402600 3993.0154 20622.8257 14412.3059 250.3285 -203363.3061 2633.9688 0.0000 0.0000 51953.6448 -109497.2169 298.5783 -161450.8617 -109134.4979 299.7064 -44.6900 -20.3671 762801.8835 -10.6054 -10.5616 PRESSURE: 3402800 -212.282 -35.5748 107.591 -35.5752 125.708 219.445 107.59 219.445 443.269 GPRESSURE: 3402800 -59.1257 85.8827 155.68 -49.2584 118.473 185.078 -60.7661 131.259 370.724 PRESSAVG: 3402800 22.842 6.74796 43.0929 6.74796 -32.0102 -18.6481 43.0929 -18.6481 5.58583 GPRESSAVG: 3402800 22.7288 6.48422 42.8218 7.84674 -32.6544 -17.2457 41.3491 -21.9497 6.80295 TIMING: 3402800 CPU: 10808.8, 0.00311469/step Wall: 10808.8, 0.00311469/step, 1.38188 hours remaining, 233.296875 MB of memory in use. ENERGY: 3402800 3929.1733 20542.1755 14486.1470 262.7046 -203846.2348 2888.7265 0.0000 0.0000 52225.6467 -109511.6612 300.1415 -161737.3079 -109146.5773 299.5434 118.8983 143.3568 761384.8291 -1.1941 -1.0409 PRESSURE: 3403000 -44.6532 13.9683 57.8757 13.9688 171.739 124.472 57.8758 124.471 43.8158 GPRESSURE: 3403000 -40.5832 39.9989 102.66 8.85261 184.645 67.9262 28.2487 235.595 120.026 PRESSAVG: 3403000 2.81476 34.6973 -19.2795 34.6973 2.42236 15.2736 -19.2795 15.2737 -13.0632 GPRESSAVG: 3403000 3.16413 36.3737 -19.5062 33.421 1.45425 14.7993 -19.1623 16.8835 -12.478 TIMING: 3403000 CPU: 10809.4, 0.00311811/step Wall: 10809.4, 0.00311811/step, 1.38323 hours remaining, 233.296875 MB of memory in use. ENERGY: 3403000 3922.2555 20536.2438 14438.6637 225.4861 -203531.7218 2634.8939 0.0000 0.0000 52132.1891 -109641.9896 299.6044 -161774.1788 -109275.4645 299.1498 56.9670 88.0292 760324.6818 -2.6087 -2.6199 PRESSURE: 3403200 30.8189 -132.23 140.737 -132.229 -18.3084 -74.2784 140.737 -74.2787 212.877 GPRESSURE: 3403200 45.1814 -60.4467 190.131 -58.521 36.4441 -35.2084 326.438 -156.877 230.326 PRESSAVG: 3403200 -41.3195 -66.5091 50.9937 -66.5091 16.0059 -14.2935 50.9938 -14.2935 -16.4918 GPRESSAVG: 3403200 -42.0421 -66.6005 51.5656 -65.3924 17.5599 -13.2332 51.1824 -14.0755 -17.6999 TIMING: 3403200 CPU: 10810, 0.00311737/step Wall: 10810, 0.00311737/step, 1.38273 hours remaining, 233.296875 MB of memory in use. ENERGY: 3403200 4061.5885 20507.3217 14453.9793 271.9996 -204035.5212 2844.6914 0.0000 0.0000 52148.2807 -109747.6600 299.6969 -161895.9407 -109379.5455 298.8087 75.1291 103.9840 761496.5111 -13.9351 -14.0607 PRESSURE: 3403400 63.3542 -221.894 -165.127 -221.894 -44.6249 15.9534 -165.127 15.9546 198.163 GPRESSURE: 3403400 160.973 -213.953 -143.922 -129.526 -16.5729 31.9237 -190.61 -33.4404 176.15 PRESSAVG: 3403400 20.9096 -66.7528 -3.34517 -66.7527 4.41695 8.04026 -3.34513 8.0403 -13.455 GPRESSAVG: 3403400 21.9123 -67.9334 -3.37081 -66.2978 3.88105 7.50525 -5.92477 5.94875 -13.7178 TIMING: 3403400 CPU: 10810.7, 0.00313772/step Wall: 10810.7, 0.00313772/step, 1.39158 hours remaining, 233.296875 MB of memory in use. ENERGY: 3403400 3935.5129 20571.8512 14382.2680 231.4441 -203503.5398 2731.9175 0.0000 0.0000 51831.0101 -109819.5361 297.8735 -161650.5462 -109460.5489 298.7025 72.2973 106.8498 762626.0598 3.9572 4.0252 PRESSURE: 3403600 -166.9 -79.976 -282.912 -79.9754 -87.615 204.936 -282.912 204.936 58.6114 GPRESSURE: 3403600 -9.09579 -48.0886 -241.183 -171.726 -81.1071 174.335 -251.501 201.215 -30.8716 PRESSAVG: 3403600 23.9809 -37.9845 -69.4097 -37.9845 11.1634 80.4257 -69.4097 80.4258 -7.37843 GPRESSAVG: 3403600 23.9399 -36.7453 -69.2975 -37.8574 9.91071 80.5595 -68.0657 82.0712 -6.0316 TIMING: 3403600 CPU: 10811.3, 0.00314286/step Wall: 10811.3, 0.00314286/step, 1.39369 hours remaining, 233.296875 MB of memory in use. ENERGY: 3403600 3989.7785 20563.6923 14500.8425 223.9220 -203353.2380 2721.6372 0.0000 0.0000 51990.4908 -109362.8747 298.7901 -161353.3655 -109012.5145 298.8321 -65.3012 -40.3582 763911.5687 9.2553 9.2730 PRESSURE: 3403800 -65.3362 -0.444667 127.168 -0.44404 120.255 -105.7 127.168 -105.701 -288.46 GPRESSURE: 3403800 -15.9581 2.70721 131.494 33.9596 114.644 -37.227 163.468 -64.4079 -239.167 PRESSAVG: 3403800 -1.29789 -23.3147 -13.914 -23.3148 7.36096 -12.562 -13.914 -12.5619 -11.8096 GPRESSAVG: 3403800 -1.18359 -25.9072 -16.2164 -23.5414 8.8651 -11.7144 -13.105 -11.6288 -13.6284 TIMING: 3403800 CPU: 10811.9, 0.00311572/step Wall: 10811.9, 0.00311572/step, 1.38148 hours remaining, 233.296875 MB of memory in use. ENERGY: 3403800 4021.2552 20433.9548 14463.2426 243.9287 -203234.5412 2493.4049 0.0000 0.0000 52240.3399 -109338.4152 300.2260 -161578.7550 -108974.3629 299.6370 -77.8471 -46.8269 762877.6479 -1.9155 -1.9823 PRESSURE: 3404000 183.208 -77.9854 -84.718 -77.9856 183.954 -39.9843 -84.7189 -39.9849 -48.6139 GPRESSURE: 3404000 230.464 5.32118 -151.936 -72.7196 240.484 -82.7632 99.7809 -92.896 -77.0562 PRESSAVG: 3404000 22.189 -4.39349 24.9708 -4.3935 2.87714 -41.9269 24.9708 -41.9269 9.27519 GPRESSAVG: 3404000 22.3778 -2.70456 27.2569 -3.83574 3.04101 -41.9974 23.7553 -43.2439 8.83063 TIMING: 3404000 CPU: 10812.6, 0.00314538/step Wall: 10812.6, 0.00314538/step, 1.39445 hours remaining, 233.296875 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: 3404000 3995.9683 20617.5836 14522.1974 241.9697 -203264.7564 2404.5486 0.0000 0.0000 51972.0943 -109510.3944 298.6843 -161482.4887 -109142.0481 299.4160 106.1828 131.2972 760937.0200 11.4471 11.4165 PRESSURE: 3404200 361.524 -38.584 -90.7885 -38.5844 -314.889 -176.43 -90.7886 -176.431 -95.3467 GPRESSURE: 3404200 286.581 -59.3211 -90.4099 51.7768 -208.677 -100.369 -77.1623 -211.559 -40.9301 PRESSAVG: 3404200 24.9375 -26.9835 -21.7374 -26.9835 1.58098 -14.4902 -21.7375 -14.4902 -11.0196 GPRESSAVG: 3404200 23.9041 -27.5309 -21.4648 -25.9301 2.34924 -12.8409 -22.3708 -17.0642 -10.6264 TIMING: 3404200 CPU: 10813.2, 0.00312165/step Wall: 10813.2, 0.00312165/step, 1.38376 hours remaining, 233.296875 MB of memory in use. ENERGY: 3404200 4000.7795 20697.3046 14457.6781 232.6290 -203836.6245 2695.8210 0.0000 0.0000 52004.4084 -109748.0039 298.8701 -161752.4123 -109379.8519 298.9568 -16.2372 12.3246 760490.1663 5.1663 5.2090 LDB: ============= START OF LOAD BALANCING ============== 10825.6 LDB: ============== END OF LOAD BALANCING =============== 10825.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10825.6 LDB: ============= START OF LOAD BALANCING ============== 10825.9 LDB: Largest compute 7078 load 0.032982 is 16.9% of average load 0.195470 LDB: Average compute 0.004352 is 2.2% of average load 0.195470 LDB: TIME 10825.9 LOAD: AVG 0.19547 MAX 0.221195 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.234 MB LDB: TIME 10825.9 LOAD: AVG 0.19547 MAX 0.221195 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: TIME 10825.9 LOAD: AVG 0.19547 MAX 0.213717 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: ============== END OF LOAD BALANCING =============== 10825.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10825.9 PRESSURE: 3404400 124.215 -15.6872 -65.6807 -15.6872 173.075 -130.391 -65.6809 -130.392 353.044 GPRESSURE: 3404400 225.628 15.4173 -80.1419 -132.638 155.378 -155.002 -38.8751 -13.3223 361.412 PRESSAVG: 3404400 2.24997 -1.30238 -1.00536 -1.30247 21.3109 1.45006 -1.00532 1.45012 7.66931 GPRESSAVG: 3404400 3.86109 -0.893552 -1.71313 -1.49394 18.4508 -1.38349 0.200067 3.13734 9.21578 TIMING: 3404400 CPU: 10813.8, 0.00321133/step Wall: 10813.8, 0.00321132/step, 1.42333 hours remaining, 233.496094 MB of memory in use. ENERGY: 3404400 3949.0572 20698.8738 14433.7318 258.5121 -203715.0217 2682.8361 0.0000 0.0000 52021.1676 -109670.8431 298.9664 -161692.0107 -109318.9733 298.8884 216.7778 247.4727 760469.5628 10.4101 10.5092 PRESSURE: 3404600 280.365 59.8811 -99.2477 59.8808 -253.042 -183.699 -99.2489 -183.698 -113.544 GPRESSURE: 3404600 298.088 -49.7602 -161.874 40.4793 -175.526 -137.823 -82.6103 -132.833 -107.642 PRESSAVG: 3404600 -19.7297 -73.6564 -22.6107 -73.6565 -9.49112 -21.8021 -22.6107 -21.8021 -3.70074 GPRESSAVG: 3404600 -21.0429 -75.4419 -22.6417 -74.9288 -5.91377 -20.5011 -22.671 -19.6449 -5.79246 TIMING: 3404600 CPU: 10814.4, 0.00313758/step Wall: 10814.4, 0.00313758/step, 1.39047 hours remaining, 233.507812 MB of memory in use. ENERGY: 3404600 3940.0095 20493.9198 14466.7884 241.8563 -203843.8360 2721.2694 0.0000 0.0000 52469.2118 -109510.7808 301.5413 -161979.9926 -109153.3222 299.6419 -28.7401 4.9736 760894.6567 -10.9739 -10.9164 PRESSURE: 3404800 398.679 -43.9353 150.876 -43.9358 77.637 101.663 150.877 101.663 221.639 GPRESSURE: 3404800 433.587 -34.4761 102.573 -54.9376 43.5135 177.544 159.997 9.12218 314.934 PRESSAVG: 3404800 52.9271 -39.505 -16.5524 -39.505 -64.2064 -5.21921 -16.5524 -5.21921 9.8358 GPRESSAVG: 3404800 52.5277 -37.0916 -17.2427 -39.7877 -65.3797 -4.08942 -15.0412 -6.1544 10.8156 TIMING: 3404800 CPU: 10815.1, 0.00314196/step Wall: 10815.1, 0.00314196/step, 1.39224 hours remaining, 233.507812 MB of memory in use. ENERGY: 3404800 3958.5031 20444.9672 14460.4364 239.6843 -203752.2467 2916.0379 0.0000 0.0000 52311.6970 -109420.9207 300.6360 -161732.6177 -109049.8465 299.7038 232.6517 264.0116 762334.2292 -0.4812 -0.6788 PRESSURE: 3405000 -282.455 77.644 -95.9113 77.6444 119.824 -42.7825 -95.9122 -42.7829 -235.663 GPRESSURE: 3405000 -249.07 33.3251 -56.165 74.3119 142.641 -20.6589 -263.401 -87.8132 -203.254 PRESSAVG: 3405000 0.185227 -52.2872 5.91393 -52.2872 -44.2188 14.1739 5.914 14.174 -23.3454 GPRESSAVG: 3405000 -0.116023 -54.8357 6.11216 -51.9901 -44.5921 12.7218 3.81215 12.5541 -22.4858 TIMING: 3405000 CPU: 10815.7, 0.00314794/step Wall: 10815.7, 0.00314794/step, 1.39471 hours remaining, 233.507812 MB of memory in use. ENERGY: 3405000 4023.3849 20439.5340 14498.4334 238.6029 -203306.9525 2267.3254 0.0000 0.0000 52220.5779 -109619.0940 300.1124 -161839.6718 -109258.6961 299.3662 -132.7645 -103.2276 762370.5686 -22.4597 -22.3980 PRESSURE: 3405200 -60.2969 170.484 61.1501 170.483 108.639 3.91002 61.1496 3.90978 159.76 GPRESSURE: 3405200 -18.6317 210.486 86.7136 117.579 181.84 87.0456 177.684 67.863 130.474 PRESSAVG: 3405200 35.2202 30.9987 6.38567 30.9987 -28.7421 -11.1279 6.3856 -11.1279 -19.8722 GPRESSAVG: 3405200 36.4185 32.5996 6.29731 30.6868 -29.5611 -10.0745 7.9182 -8.9336 -19.847 TIMING: 3405200 CPU: 10816.3, 0.00313187/step Wall: 10816.3, 0.00313187/step, 1.38742 hours remaining, 233.507812 MB of memory in use. ENERGY: 3405200 3984.2541 20561.2327 14512.9008 245.8952 -203824.1848 2918.1480 0.0000 0.0000 52047.3975 -109554.3565 299.1171 -161601.7540 -109189.6352 299.3531 69.3674 97.8940 760846.7647 -4.4647 -4.3299 PRESSURE: 3405400 42.4694 -75.1796 -155.036 -75.1795 -124.558 38.8935 -155.036 38.8931 -184.726 GPRESSURE: 3405400 76.2221 -4.27068 -225.243 -133.724 -52.4225 -2.90562 -152.351 -23.796 -201.907 PRESSAVG: 3405400 46.3008 -51.582 -78.3163 -51.582 -40.8776 8.27146 -78.3164 8.27151 -25.5073 GPRESSAVG: 3405400 46.0622 -50.5976 -78.744 -51.1027 -40.3909 8.93988 -78.9562 7.88416 -25.8379 TIMING: 3405400 CPU: 10817, 0.00312736/step Wall: 10817, 0.00312736/step, 1.38525 hours remaining, 233.507812 MB of memory in use. ENERGY: 3405400 3957.0585 20420.0348 14432.2375 236.5311 -203157.0920 2262.9464 0.0000 0.0000 52095.6888 -109752.5947 299.3946 -161848.2835 -109375.6068 299.1248 -88.9382 -59.3692 760760.2613 -6.6947 -6.7222 PRESSURE: 3405600 -27.2764 106.814 -25.2646 106.815 -293.127 -86.8574 -25.2652 -86.8575 -32.4577 GPRESSURE: 3405600 4.5885 2.31472 -50.2933 119.166 -194.733 -147.071 -33.1027 -30.0299 -82.0048 PRESSAVG: 3405600 29.146 -17.3731 -99.4722 -17.3731 -37.116 -36.4507 -99.4722 -36.4506 28.9584 GPRESSAVG: 3405600 28.9636 -16.7212 -99.1683 -20.1836 -36.0146 -38.5235 -97.26 -34.1842 27.4981 TIMING: 3405600 CPU: 10817.6, 0.00313711/step Wall: 10817.6, 0.00313711/step, 1.38939 hours remaining, 233.507812 MB of memory in use. ENERGY: 3405600 3985.2342 20507.4467 14449.4910 239.5014 -203109.2495 2360.4729 0.0000 0.0000 51790.0945 -109777.0087 297.6384 -161567.1033 -109415.5575 298.6166 -117.6202 -90.7166 760483.1420 6.9961 6.8157 PRESSURE: 3405800 206.838 -268.321 -35.0777 -268.321 -140.954 -184.293 -35.0781 -184.293 -169.692 GPRESSURE: 3405800 178.929 -238.621 -19.5391 -320.622 -118.588 -165.604 -63.0648 -66.8988 -68.6392 PRESSAVG: 3405800 33.065 -10.1448 -12.0925 -10.1448 -33.4322 -54.4365 -12.0925 -54.4366 20.6622 GPRESSAVG: 3405800 32.574 -11.8056 -10.3087 -7.0268 -35.08 -51.5922 -13.5924 -56.2065 21.8887 TIMING: 3405800 CPU: 10818.2, 0.00312886/step Wall: 10818.2, 0.00312886/step, 1.38557 hours remaining, 233.507812 MB of memory in use. ENERGY: 3405800 3951.8087 20571.9342 14389.3934 233.6500 -203106.9699 2347.7256 0.0000 0.0000 51890.7044 -109721.7536 298.2166 -161612.4581 -109369.2472 298.6843 -34.6028 -2.7659 760574.5526 6.7650 6.4609 PRESSURE: 3406000 26.0812 108.6 -201.743 108.6 207.96 173.108 -201.743 173.11 31.2146 GPRESSURE: 3406000 121.271 218.914 -161.194 94.0001 252.46 156.843 -171.246 79.153 -24.5541 PRESSAVG: 3406000 12.8165 -34.3365 16.2516 -34.3366 -21.6989 57.3113 16.2516 57.3114 -3.95427 GPRESSAVG: 3406000 11.7523 -32.8672 15.2465 -35.8273 -20.3139 55.6407 16.7084 54.1427 -4.61183 TIMING: 3406000 CPU: 10818.8, 0.00311538/step Wall: 10818.8, 0.00311538/step, 1.37942 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3406000 3950.5511 20522.9109 14456.0131 230.1298 -203412.7957 2501.1941 0.0000 0.0000 52098.0814 -109653.9153 299.4084 -161751.9967 -109278.5504 298.8392 88.4186 116.3924 760252.8629 -4.2789 -4.3912 PRESSURE: 3406200 250.837 -42.531 -26.0422 -42.5306 68.884 -57.3718 -26.0419 -57.3725 61.7437 GPRESSURE: 3406200 344.815 -21.2082 42.9611 65.4246 25.4679 -24.5613 -7.00342 -65.5589 94.2466 PRESSAVG: 3406200 5.56597 -0.805249 25.0235 -0.805214 -2.00296 -2.4588 25.0235 -2.45877 1.31077 GPRESSAVG: 3406200 7.8445 -2.06071 25.0689 0.539816 -4.86368 -3.22689 25.389 -0.155903 2.24086 TIMING: 3406200 CPU: 10819.5, 0.00315173/step Wall: 10819.5, 0.00315173/step, 1.39534 hours remaining, 233.507812 MB of memory in use. ENERGY: 3406200 3965.3032 20405.4917 14452.4523 240.1439 -202725.9956 2062.9122 0.0000 0.0000 51979.2727 -109620.4197 298.7256 -161599.6924 -109246.1857 299.0047 127.1551 154.8432 759153.5215 1.6246 1.7406 PRESSURE: 3406400 47.3555 33.9825 -10.0721 33.9826 7.69128 94.317 -10.0715 94.3172 38.6253 GPRESSURE: 3406400 40.3125 18.4826 -34.9758 -79.6184 74.1499 95.6118 52.8119 223.727 50.6853 PRESSAVG: 3406400 43.9815 -38.6282 24.6583 -38.6282 -39.7456 -7.66418 24.6582 -7.66429 13.7276 GPRESSAVG: 3406400 42.5115 -39.5627 25.2091 -39.2955 -37.8959 -7.41412 22.7695 -5.34728 13.6319 TIMING: 3406400 CPU: 10820.1, 0.00314831/step Wall: 10820.1, 0.00314831/step, 1.39365 hours remaining, 233.507812 MB of memory in use. ENERGY: 3406400 3931.6771 20496.7976 14528.9554 231.7083 -203283.8095 2433.2889 0.0000 0.0000 52019.4985 -109641.8837 298.9568 -161661.3822 -109280.7034 298.8753 31.2240 55.0492 760046.4385 5.9878 6.0825 PRESSURE: 3406600 -354.193 -144.166 -42.9026 -144.166 -169.031 -13.9953 -42.9032 -13.996 -17.7663 GPRESSURE: 3406600 -347.239 -149.134 -74.4914 -149.074 -66.4263 -15.0708 -16.8751 53.974 -34.4878 PRESSAVG: 3406600 -70.3724 -19.0675 -13.3469 -19.0675 36.2361 1.38234 -13.347 1.38241 6.25597 GPRESSAVG: 3406600 -69.3437 -17.7428 -12.0781 -19.3294 35.495 1.71113 -11.0722 -1.42113 5.80167 TIMING: 3406600 CPU: 10820.7, 0.00313755/step Wall: 10820.7, 0.00313755/step, 1.38872 hours remaining, 233.507812 MB of memory in use. ENERGY: 3406600 3836.5945 20522.4503 14494.9825 230.4865 -203052.2975 2234.4876 0.0000 0.0000 51923.0481 -109810.2478 298.4025 -161733.2959 -109451.1938 298.5641 -180.3300 -149.3843 761488.0889 -9.2935 -9.3490 PRESSURE: 3406800 -89.3493 -91.0225 1.98894 -91.0221 87.9299 105.894 1.99022 105.894 197.398 GPRESSURE: 3406800 38.9471 13.1063 -21.901 -16.5539 73.8455 108.807 39.9073 131.487 156.874 PRESSAVG: 3406800 38.7675 -12.4105 -1.09528 -12.4104 -44.7173 -3.21238 -1.0953 -3.21236 11.6704 GPRESSAVG: 3406800 38.9013 -13.2038 -3.53179 -9.75873 -44.4497 -4.46236 -2.64452 -2.24001 11.3349 TIMING: 3406800 CPU: 10821.4, 0.00313768/step Wall: 10821.4, 0.00313767/step, 1.3886 hours remaining, 233.507812 MB of memory in use. ENERGY: 3406800 3994.1434 20314.6061 14391.2816 229.9101 -203506.2989 2587.6383 0.0000 0.0000 52325.2685 -109663.4509 300.7140 -161988.7193 -109303.1392 298.5147 65.3262 89.8890 757595.3199 1.9069 1.9289 PRESSURE: 3407000 -298.781 -232.836 58.9499 -232.836 226.004 -283.087 58.9506 -283.088 231.886 GPRESSURE: 3407000 -283.318 -251.255 42.7585 -218.754 266.503 -276.727 45.075 -369.403 271.084 PRESSAVG: 3407000 79.277 -76.0103 18.1562 -76.0104 -54.8402 -2.16703 18.1562 -2.16706 13.5268 GPRESSAVG: 3407000 79.4667 -74.2186 18.5702 -78.11 -55.2325 -0.351742 19.213 -3.34106 13.4469 TIMING: 3407000 CPU: 10822, 0.00312824/step Wall: 10822, 0.00312824/step, 1.38425 hours remaining, 233.507812 MB of memory in use. ENERGY: 3407000 3999.6360 20341.1844 14399.2872 253.2555 -203226.1211 2423.8216 0.0000 0.0000 52282.7128 -109526.2235 300.4695 -161808.9363 -109173.8538 299.4608 53.0366 84.7565 759833.5922 12.6546 12.5604 PRESSURE: 3407200 73.9448 13.7397 125.327 13.74 -40.6444 10.5488 125.327 10.5497 55.5578 GPRESSURE: 3407200 37.3694 39.5075 88.5996 51.4061 -11.1846 58.5743 103.649 44.5052 146.519 PRESSAVG: 3407200 42.8251 -27.0184 -25.7442 -27.0184 -26.7708 16.0132 -25.7441 16.0132 -8.96278 GPRESSAVG: 3407200 41.7544 -27.9986 -25.4068 -26.3 -26.1552 14.9684 -26.8335 17.2302 -8.7748 TIMING: 3407200 CPU: 10822.6, 0.00311643/step Wall: 10822.6, 0.00311643/step, 1.37885 hours remaining, 233.507812 MB of memory in use. ENERGY: 3407200 3963.6306 20482.1010 14487.7807 239.7399 -203198.5227 2553.5105 0.0000 0.0000 52008.7348 -109463.0252 298.8949 -161471.7600 -109105.8254 299.5034 29.6194 57.5679 760122.2372 2.3638 2.2748 PRESSURE: 3407400 -27.7648 -117.434 -122.278 -117.435 -43.2283 18.8818 -122.277 18.8813 181.001 GPRESSURE: 3407400 10.6178 -148.776 -49.6077 -121.597 -45.4665 -14.9898 -149.891 22.8191 223.996 PRESSAVG: 3407400 -6.83848 -63.6523 39.394 -63.6524 -2.5334 -25.424 39.394 -25.424 5.92312 GPRESSAVG: 3407400 -5.97499 -63.0206 39.7576 -63.8052 -3.61052 -25.5992 40.8026 -25.7395 6.44967 TIMING: 3407400 CPU: 10823.2, 0.00312118/step Wall: 10823.2, 0.00312118/step, 1.38078 hours remaining, 233.507812 MB of memory in use. ENERGY: 3407400 4002.2697 20260.5664 14495.1142 235.3289 -202670.6067 2312.6056 0.0000 0.0000 51907.0121 -109457.7097 298.3103 -161364.7218 -109100.8727 299.2807 36.6694 63.0491 760566.1130 -1.1496 -1.0453 PRESSURE: 3407600 87.7159 -27.0215 117.198 -27.022 105.105 110.13 117.199 110.131 -95.1258 GPRESSURE: 3407600 89.3509 -46.7776 17.6021 -28.5165 177.712 93.1083 -99.6962 50.1785 -79.3408 PRESSAVG: 3407600 -45.1854 -85.3227 -47.8319 -85.3227 46.3463 -25.9592 -47.8319 -25.9592 -14.1557 GPRESSAVG: 3407600 -45.2377 -85.937 -50.463 -85.2106 47.7175 -26.0321 -47.9385 -26.7819 -15.2032 TIMING: 3407600 CPU: 10823.8, 0.00311986/step Wall: 10823.8, 0.00311986/step, 1.38002 hours remaining, 233.507812 MB of memory in use. ENERGY: 3407600 3939.4309 20390.3226 14501.8978 243.7956 -203357.6729 2543.3478 0.0000 0.0000 52077.7930 -109661.0852 299.2918 -161738.8782 -109297.2437 299.3475 32.5651 62.5740 759702.5512 -4.3316 -4.2411 PRESSURE: 3407800 -84.6542 -39.7571 -4.84253 -39.7566 5.51796 -131.687 -4.84328 -131.687 40.339 GPRESSURE: 3407800 8.89866 -103.12 70.8111 -198.285 -60.9786 -94.5867 -48.6449 -96.6425 84.6909 PRESSAVG: 3407800 -20.7877 -60.3677 -23.3178 -60.3676 31.0233 0.049221 -23.3178 0.0492025 8.03939 GPRESSAVG: 3407800 -20.1256 -60.8566 -21.2334 -63.6492 30.8507 -0.0918682 -23.7348 1.67789 7.86877 TIMING: 3407800 CPU: 10824.5, 0.00313068/step Wall: 10824.5, 0.00313068/step, 1.38463 hours remaining, 233.507812 MB of memory in use. ENERGY: 3407800 3873.8358 20473.4044 14453.0145 254.0122 -203294.8375 2303.0208 0.0000 0.0000 52043.1390 -109894.4108 299.0926 -161937.5498 -109516.6160 299.3009 -12.9324 10.8703 760431.1703 6.0917 6.1979 PRESSURE: 3408000 -49.5774 -206.759 -68.9329 -206.759 350.314 -58.5069 -68.9327 -58.5065 106.149 GPRESSURE: 3408000 48.9466 -211.717 -65.9115 -178.056 331.397 29.9273 -108.114 -59.4814 104.284 PRESSAVG: 3408000 -19.237 -64.6711 51.8403 -64.6711 11.8154 -34.6514 51.8404 -34.6514 0.0433976 GPRESSAVG: 3408000 -19.6715 -62.5451 53.2677 -61.926 11.9444 -33.0412 50.4064 -36.7446 0.379526 TIMING: 3408000 CPU: 10825.1, 0.00312741/step Wall: 10825.1, 0.00312741/step, 1.38301 hours remaining, 233.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3408000 3916.3267 20461.9988 14423.9495 229.0299 -203512.0532 2620.3631 0.0000 0.0000 52038.4424 -109821.9429 299.0656 -161860.3852 -109464.1012 298.5711 135.6286 161.5425 759948.9381 -2.4594 -2.4492 PRESSURE: 3408200 180.092 -53.7357 58.9746 -53.7358 -98.3668 -15.9328 58.974 -15.9331 74.7791 GPRESSURE: 3408200 195.565 -93.2416 10.7809 -74.5242 -57.5672 -45.9798 70.1605 -84.9344 105.914 PRESSAVG: 3408200 54.2758 3.88401 -18.0961 3.88405 -49.9072 -35.9761 -18.0961 -35.976 2.01392 GPRESSAVG: 3408200 53.2933 1.88571 -21.4646 5.41595 -49.0185 -36.2374 -16.7308 -37.9998 2.32429 TIMING: 3408200 CPU: 10825.7, 0.00312847/step Wall: 10825.7, 0.00312847/step, 1.3833 hours remaining, 233.507812 MB of memory in use. ENERGY: 3408200 3910.7858 20746.1880 14410.9870 247.6901 -203692.1921 2744.7554 0.0000 0.0000 51861.9765 -109769.8093 298.0515 -161631.7858 -109416.2406 299.2247 52.1681 81.3038 758987.1943 2.1275 2.1997 LDB: ============= START OF LOAD BALANCING ============== 10838.1 LDB: ============== END OF LOAD BALANCING =============== 10838.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10838.1 LDB: ============= START OF LOAD BALANCING ============== 10838.5 LDB: Largest compute 7078 load 0.032085 is 16.4% of average load 0.195510 LDB: Average compute 0.004360 is 2.2% of average load 0.195510 LDB: TIME 10838.5 LOAD: AVG 0.19551 MAX 0.217336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 10838.5 LOAD: AVG 0.19551 MAX 0.217336 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 10838.5 LOAD: AVG 0.19551 MAX 0.217336 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 10838.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10838.5 PRESSURE: 3408400 -13.9484 19.7427 -108.62 19.7425 81.481 75.4847 -108.62 75.4845 264.678 GPRESSURE: 3408400 44.9698 112.277 -106.875 128.601 127.549 77.2791 -6.41383 58.839 230.172 PRESSAVG: 3408400 15.038 -42.0955 -25.9433 -42.0955 -35.8908 -5.70117 -25.9433 -5.70114 -17.4824 GPRESSAVG: 3408400 15.3128 -41.1262 -23.4712 -43.8926 -35.4054 -6.48826 -25.8557 -3.97856 -18.1156 TIMING: 3408400 CPU: 10826.4, 0.00320596/step Wall: 10826.4, 0.00320596/step, 1.41739 hours remaining, 234.132812 MB of memory in use. ENERGY: 3408400 3938.6307 20557.1727 14474.5649 252.5429 -203395.0408 2386.7495 0.0000 0.0000 52024.8094 -109760.5708 298.9873 -161785.3802 -109409.6318 299.1654 110.7369 134.2304 757874.3146 -12.7784 -12.7361 PRESSURE: 3408600 -99.4063 -313.521 -82.3613 -313.521 -244.464 -165.153 -82.3608 -165.153 -0.747411 GPRESSURE: 3408600 -24.854 -364.73 -78.4801 -277.501 -274.408 -166.016 -30.8786 -10.2924 53.4004 PRESSAVG: 3408600 21.1244 -36.413 -53.7564 -36.413 -34.1284 -52.9452 -53.7564 -52.9454 7.05166 GPRESSAVG: 3408600 21.3296 -35.5944 -55.9456 -36.0754 -34.5368 -53.1091 -52.3463 -51.7261 6.78576 TIMING: 3408600 CPU: 10827, 0.00313788/step Wall: 10827, 0.00313788/step, 1.38712 hours remaining, 234.203125 MB of memory in use. ENERGY: 3408600 3994.1679 20343.2579 14395.3657 237.4376 -203247.1033 2396.0785 0.0000 0.0000 51955.9858 -109924.8099 298.5918 -161880.7957 -109570.9927 299.1160 -114.8724 -81.9538 759736.8872 -1.9841 -2.1405 PRESSURE: 3408800 -84.5183 -2.91071 -307.441 -2.91108 16.0195 207.195 -307.441 207.195 112.861 GPRESSURE: 3408800 18.3999 33.9262 -264.491 43.2622 45.8794 238.611 -200.752 162.289 55.0523 PRESSAVG: 3408800 -3.04681 -28.3915 -55.2753 -28.3915 -17.9007 -1.38857 -55.2752 -1.38845 -1.05244 GPRESSAVG: 3408800 -2.86414 -30.1668 -53.7126 -27.4927 -18.0661 -1.66364 -56.0521 -1.94488 -0.665118 TIMING: 3408800 CPU: 10827.6, 0.00313697/step Wall: 10827.6, 0.00313698/step, 1.38654 hours remaining, 234.203125 MB of memory in use. ENERGY: 3408800 4002.6078 20469.4696 14419.5000 260.1225 -203466.1619 2403.3542 0.0000 0.0000 51700.8075 -110210.3004 297.1253 -161911.1079 -109840.7510 297.9703 14.7875 39.7772 760332.3579 -7.3333 -7.1985 PRESSURE: 3409000 164.972 -63.9768 -197.945 -63.9762 211.359 -143.199 -197.946 -143.2 -58.442 GPRESSURE: 3409000 150.211 -53.4591 -146.353 39.1474 189.012 -83.2245 -260.411 -215.03 77.0221 PRESSAVG: 3409000 51.1173 -89.4718 -42.1347 -89.4718 -13.8655 -32.919 -42.1347 -32.9189 -8.02949 GPRESSAVG: 3409000 50.651 -90.0591 -41.648 -89.8102 -14.4221 -31.01 -44.657 -32.1895 -7.13666 TIMING: 3409000 CPU: 10828.3, 0.00315081/step Wall: 10828.3, 0.00315081/step, 1.39249 hours remaining, 234.203125 MB of memory in use. ENERGY: 3409000 3964.3739 20357.3456 14356.4398 260.2769 -203456.6264 2501.1249 0.0000 0.0000 51669.5461 -110347.5192 296.9456 -162017.0653 -109991.7472 297.4908 105.9630 138.7484 758206.2349 9.7408 9.6974 PRESSURE: 3409200 -129.129 -77.4283 -170.259 -77.4292 -163.744 -84.9984 -170.258 -85.0004 -224.238 GPRESSURE: 3409200 -103.159 -2.82126 -222.328 -99.4703 -118.396 -24.3673 -9.97376 -245.907 -245.907 PRESSAVG: 3409200 -22.6845 -61.1324 -44.1028 -61.1324 31.0173 64.6484 -44.1028 64.6484 6.35298 GPRESSAVG: 3409200 -22.0939 -60.4592 -43.6421 -61.7728 30.4975 64.7712 -42.9844 63.0812 6.20229 TIMING: 3409200 CPU: 10828.9, 0.0031302/step Wall: 10828.9, 0.0031302/step, 1.3832 hours remaining, 234.203125 MB of memory in use. ENERGY: 3409200 4022.9206 20427.7006 14386.8802 251.7592 -203523.0061 2286.7277 0.0000 0.0000 51671.1071 -110475.9109 296.9546 -162147.0179 -110132.5386 297.6790 -172.3699 -155.8205 759920.1233 4.8952 4.8686 PRESSURE: 3409400 -288.449 -234.046 36.4933 -234.046 -114.786 171.487 36.493 171.487 200.433 GPRESSURE: 3409400 -246.233 -80.8737 58.5735 -225.628 -48.1102 161.917 28.5942 104.804 199.189 PRESSAVG: 3409400 6.17547 -20.7036 21.2304 -20.7036 -35.4676 21.1597 21.2304 21.1596 10.6813 GPRESSAVG: 3409400 6.85475 -20.5303 21.1905 -21.5988 -35.691 20.228 21.0941 20.5294 10.6591 TIMING: 3409400 CPU: 10829.5, 0.0031361/step Wall: 10829.5, 0.0031361/step, 1.38563 hours remaining, 234.203125 MB of memory in use. ENERGY: 3409400 3902.9832 20425.5803 14446.0120 252.3023 -203559.8130 2502.1869 0.0000 0.0000 51666.0233 -110364.7250 296.9253 -162030.7483 -110003.7500 297.6717 -67.6008 -31.7179 759984.1256 -6.2036 -6.0590 PRESSURE: 3409600 60.3409 82.2796 -254.63 82.2786 20.3895 25.1639 -254.63 25.1634 170.221 GPRESSURE: 3409600 132.532 106.931 -245.652 -14.9861 -8.54291 56.1613 -174.683 -166.994 198.954 PRESSAVG: 3409600 59.7759 -4.4353 -16.9443 -4.43526 -52.0292 30.1361 -16.9443 30.1361 24.104 GPRESSAVG: 3409600 58.3359 -5.11726 -18.2273 -3.17741 -50.8563 29.0603 -15.1525 32.3968 23.9522 TIMING: 3409600 CPU: 10830.1, 0.00313722/step Wall: 10830.1, 0.00313722/step, 1.38595 hours remaining, 234.203125 MB of memory in use. ENERGY: 3409600 3988.6660 20435.9645 14460.9419 239.2911 -204238.2737 2647.4054 0.0000 0.0000 52038.9296 -110427.0752 299.0684 -162466.0048 -110065.0465 297.4619 83.6505 107.6479 756741.3770 10.6169 10.4772 PRESSURE: 3409800 125.846 -108.463 146.124 -108.463 -523.544 -239.673 146.125 -239.674 137.25 GPRESSURE: 3409800 42.8933 -145.617 117.945 -150.944 -371.027 -220.134 129.403 -224.131 158.826 PRESSAVG: 3409800 7.06312 -1.81597 29.2995 -1.81592 -2.13776 2.67529 29.2995 2.6753 9.61542 GPRESSAVG: 3409800 6.79051 0.338031 29.8312 -3.39369 -1.92843 3.18009 29.5513 2.50769 9.14781 TIMING: 3409800 CPU: 10830.8, 0.00314786/step Wall: 10830.8, 0.00314786/step, 1.39048 hours remaining, 234.203125 MB of memory in use. ENERGY: 3409800 3979.7146 20508.0663 14421.2978 251.8213 -204421.7319 2895.0816 0.0000 0.0000 51690.7799 -110674.9704 297.0676 -162365.7503 -110316.5606 297.4490 -86.8160 -56.4359 757394.4920 4.8469 4.6700 PRESSURE: 3410000 188.454 -185.954 234.591 -185.955 29.9376 -7.7328 234.591 -7.73278 -33.1893 GPRESSURE: 3410000 212.325 -119.358 301.19 -161.406 119.078 -2.52508 128.312 8.26075 -38.3112 PRESSAVG: 3410000 17.3066 -18.3828 20.8422 -18.3829 1.74149 8.85057 20.8422 8.85062 9.14558 GPRESSAVG: 3410000 17.352 -19.5229 20.0953 -18.422 1.78529 7.31426 19.5288 8.86993 8.84 TIMING: 3410000 CPU: 10831.4, 0.00311808/step Wall: 10831.4, 0.00311807/step, 1.37715 hours remaining, 234.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3410000 3956.1365 20307.6756 14461.2005 264.7678 -204033.0037 2682.8335 0.0000 0.0000 51601.9237 -110758.4660 296.5570 -162360.3898 -110402.7060 297.4125 61.7341 97.6973 756899.3369 9.3979 9.3258 PRESSURE: 3410200 -131.294 33.1149 129.601 33.115 -67.2513 -2.62282 129.602 -2.62139 -257.152 GPRESSURE: 3410200 -130.682 64.3385 112.21 -56.6017 4.76175 50.5999 119.64 -68.6566 -215.894 PRESSAVG: 3410200 -15.8596 -2.43874 9.49038 -2.43868 56.6113 9.81557 9.49041 9.81549 0.0704374 GPRESSAVG: 3410200 -15.2875 -0.968771 10.2583 -2.23467 56.0484 12.0337 7.9508 7.44164 0.827264 TIMING: 3410200 CPU: 10832, 0.0031364/step Wall: 10832, 0.0031364/step, 1.38507 hours remaining, 234.203125 MB of memory in use. ENERGY: 3410200 4013.1900 20390.4956 14403.3696 233.1775 -203794.5305 2607.9935 0.0000 0.0000 51411.0972 -110735.2070 295.4603 -162146.3043 -110371.4394 296.5733 -151.8993 -113.9380 759597.1002 13.6074 13.8627 PRESSURE: 3410400 147.321 295.883 -21.2985 295.882 -302.516 226.42 -21.2979 226.42 72.6421 GPRESSURE: 3410400 196.445 194.589 -66.83 214.778 -260.677 247 67.8291 192.737 40.1068 PRESSAVG: 3410400 35.1355 11.5504 -29.3127 11.5504 -8.4833 -54.3559 -29.3126 -54.3559 -21.4344 GPRESSAVG: 3410400 34.9082 8.53372 -29.7643 9.97018 -8.22915 -55.9141 -27.9593 -50.8245 -21.5883 TIMING: 3410400 CPU: 10832.6, 0.00314255/step Wall: 10832.6, 0.00314255/step, 1.38761 hours remaining, 234.203125 MB of memory in use. ENERGY: 3410400 3913.3539 20452.2355 14458.9627 222.9271 -203999.6615 2611.1946 0.0000 0.0000 51789.0938 -110551.8939 297.6326 -162340.9877 -110189.9519 296.7577 -27.5175 -8.0418 757990.8961 1.7393 1.6969 PRESSURE: 3410600 -99.2411 -199.044 8.00902 -199.045 141.95 -63.6161 8.00881 -63.6159 -442.272 GPRESSURE: 3410600 -82.5858 -87.6037 13.3194 -127.574 133.762 -28.8035 27.7415 -54.9314 -384.906 PRESSAVG: 3410600 29.1087 -0.144963 1.48843 -0.14497 -14.7341 -24.3341 1.48846 -24.3341 14.7784 GPRESSAVG: 3410600 28.6255 1.37931 1.73637 -0.190463 -14.8818 -22.8608 1.04598 -27.7549 15.6704 TIMING: 3410600 CPU: 10833.3, 0.00313255/step Wall: 10833.3, 0.00313254/step, 1.38302 hours remaining, 234.203125 MB of memory in use. ENERGY: 3410600 4011.8945 20555.9785 14420.8605 254.4228 -203954.7152 2524.5479 0.0000 0.0000 51793.3209 -110393.6900 297.6569 -162187.0109 -110044.7075 297.5320 -133.1876 -111.2431 758776.9699 9.7177 9.8047 PRESSURE: 3410800 183.366 245.621 305.395 245.62 -288.062 18.2283 305.395 18.2291 312.056 GPRESSURE: 3410800 141.325 125.679 323.259 176.755 -201.151 -40.1875 208.585 128.468 353.144 PRESSAVG: 3410800 35.2577 24.8546 2.82408 24.8547 -38.6048 -35.4608 2.82403 -35.4608 18.8176 GPRESSAVG: 3410800 35.2788 24.2539 4.07436 25.2275 -37.2641 -35.5705 3.00163 -32.8504 17.4137 TIMING: 3410800 CPU: 10833.9, 0.00312479/step Wall: 10833.9, 0.00312479/step, 1.37942 hours remaining, 234.203125 MB of memory in use. ENERGY: 3410800 3992.3095 20478.7734 14453.9916 241.4138 -204029.2462 2693.1154 0.0000 0.0000 51938.6055 -110231.0369 298.4919 -162169.6424 -109867.0337 297.7138 69.1198 97.7725 759635.8496 5.1568 5.1428 PRESSURE: 3411000 -192.934 54.5152 -233.437 54.5144 300.211 -1.46241 -233.437 -1.46325 32.469 GPRESSURE: 3411000 -155.698 39.1744 -170.708 109.002 290.074 21.6563 -237.649 15.9888 71.5141 PRESSAVG: 3411000 -13.4729 -3.79281 21.1433 -3.79279 42.159 26.6997 21.1433 26.6998 3.91248 GPRESSAVG: 3411000 -13.7057 -5.81183 20.6751 -3.21539 41.1883 27.3402 21.2266 25.0769 4.61395 TIMING: 3411000 CPU: 10834.5, 0.00314039/step Wall: 10834.5, 0.00314039/step, 1.38614 hours remaining, 234.203125 MB of memory in use. ENERGY: 3411000 4040.5788 20457.8563 14410.9075 236.8677 -203886.9854 2793.4855 0.0000 0.0000 51964.4563 -109982.8331 298.6404 -161947.2895 -109625.9380 298.7908 46.5821 68.6299 759940.7201 10.8662 10.6989 PRESSURE: 3411200 -226.819 -192.4 119.265 -192.4 -291.11 77.7846 119.265 77.785 57.3629 GPRESSURE: 3411200 -165.282 -112.344 114.099 -270.313 -252.765 24.8286 102.017 151.765 38.3695 PRESSAVG: 3411200 -11.647 6.18376 6.49341 6.18383 -9.7558 48.0832 6.49336 48.0831 3.07692 GPRESSAVG: 3411200 -11.7023 8.36211 4.89873 6.94225 -9.45786 47.601 8.56525 50.0355 3.03027 TIMING: 3411200 CPU: 10835.1, 0.00314338/step Wall: 10835.1, 0.00314338/step, 1.38728 hours remaining, 234.203125 MB of memory in use. ENERGY: 3411200 4043.1179 20568.8874 14466.8802 235.3065 -203493.7985 2266.1937 0.0000 0.0000 52064.5986 -109848.8142 299.2160 -161913.4128 -109487.5193 298.2583 -153.5220 -126.5594 761646.6752 -6.1086 -6.0433 PRESSURE: 3411400 152.027 -98.8576 82.1165 -98.858 -176.588 -42.8969 82.1162 -42.8963 -9.71135 GPRESSURE: 3411400 162.966 -16.6597 119.492 -70.7429 -134.451 -86.882 -17.1225 5.04419 39.7654 PRESSAVG: 3411400 19.6191 -31.8423 29.5381 -31.8423 -41.7597 -44.4016 29.5381 -44.4016 -0.299854 GPRESSAVG: 3411400 18.0365 -31.4389 29.8674 -33.5608 -40.2099 -44.8001 28.3945 -45.1975 -0.620342 TIMING: 3411400 CPU: 10835.8, 0.00312783/step Wall: 10835.8, 0.00312783/step, 1.38024 hours remaining, 234.203125 MB of memory in use. ENERGY: 3411400 3982.1904 20309.3188 14463.1946 254.9960 -203202.4591 2262.3304 0.0000 0.0000 51749.0333 -110181.3957 297.4024 -161930.4289 -109815.6294 298.2419 -11.4241 22.7604 760928.7444 -7.4802 -7.5979 PRESSURE: 3411600 -250.562 -101.356 397.216 -101.356 -377.556 141.53 397.215 141.531 -158.995 GPRESSURE: 3411600 -279.319 -3.12858 338.997 -216.095 -305.166 151.061 404.98 223.97 -116.993 PRESSAVG: 3411600 33.561 -23.0231 21.0673 -23.0232 21.3096 18.2103 21.0673 18.2102 6.58587 GPRESSAVG: 3411600 36.0837 -22.5341 21.5516 -21.2471 19.9006 18.7083 20.958 19.097 5.3916 TIMING: 3411600 CPU: 10836.4, 0.0031337/step Wall: 10836.4, 0.0031337/step, 1.38266 hours remaining, 234.203125 MB of memory in use. ENERGY: 3411600 4012.2204 20494.1443 14506.3926 258.8912 -203477.8998 2382.7620 0.0000 0.0000 51708.8797 -110114.6095 297.1716 -161823.4892 -109760.0092 297.7728 -262.3709 -233.8258 759598.3696 20.4855 20.4586 PRESSURE: 3411800 -73.6835 137.653 -186.286 137.652 286.749 -17.1429 -186.286 -17.1439 386.437 GPRESSURE: 3411800 -42.3178 108.41 -219.587 162.756 301.426 -49.0905 -111.159 -152.831 423.719 PRESSAVG: 3411800 -13.1199 -6.16964 64.9954 -6.16962 5.89338 27.652 64.9954 27.652 6.71198 GPRESSAVG: 3411800 -13.8554 -7.35928 63.9997 -6.9056 4.72176 27.9675 63.2016 25.994 8.45888 TIMING: 3411800 CPU: 10837, 0.00312883/step Wall: 10837, 0.00312883/step, 1.38034 hours remaining, 234.203125 MB of memory in use. ENERGY: 3411800 4010.6638 20491.4972 14465.7095 246.7378 -203801.7974 2572.2043 0.0000 0.0000 52199.4365 -109815.5483 299.9909 -162014.9849 -109454.8887 298.8259 199.8344 227.6089 759654.5337 -0.1715 -0.2249 PRESSURE: 3412000 -385.634 -35.015 -203.137 -35.0154 -293.575 322.193 -203.137 322.194 132.198 GPRESSURE: 3412000 -350.731 -87.9608 -182.524 -92.3442 -194.554 361.336 -32.6228 268.635 109.097 PRESSAVG: 3412000 -28.2889 -6.90345 -5.69642 -6.90337 22.442 8.8943 -5.69638 8.8943 -5.74936 GPRESSAVG: 3412000 -27.7605 -8.0956 -4.05667 -4.40019 23.5178 7.97288 -2.4311 10.4745 -7.34579 TIMING: 3412000 CPU: 10837.7, 0.00312114/step Wall: 10837.7, 0.00312114/step, 1.37677 hours remaining, 234.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3412000 3961.1392 20527.5600 14470.6326 234.0388 -203049.4910 2351.3666 0.0000 0.0000 51772.0411 -109732.7127 297.5346 -161504.7538 -109362.7364 298.8761 -182.3369 -145.3962 761753.2482 -3.8654 -3.8628 PRESSURE: 3412200 101.895 -35.1846 263.007 -35.1851 -65.6578 146.922 263.007 146.921 38.7893 GPRESSURE: 3412200 149.282 -63.1431 269.953 -113.034 -9.09212 137.095 71.3842 234.216 8.66517 PRESSAVG: 3412200 -63.2561 -39.0134 -13.6424 -39.0133 -4.93779 30.2373 -13.6423 30.2373 5.18899 GPRESSAVG: 3412200 -62.8637 -37.2951 -14.6956 -41.7322 -5.77026 32.5638 -16.1741 29.4857 5.96597 TIMING: 3412200 CPU: 10838.3, 0.00312475/step Wall: 10838.3, 0.00312475/step, 1.37819 hours remaining, 234.203125 MB of memory in use. ENERGY: 3412200 3961.1320 20536.0546 14395.1644 262.7992 -202897.7727 2289.5572 0.0000 0.0000 52025.1962 -109427.8690 298.9895 -161453.0652 -109055.6513 298.5155 25.0089 49.6184 761667.4859 -21.0016 -20.8893 LDB: ============= START OF LOAD BALANCING ============== 10850.7 LDB: ============== END OF LOAD BALANCING =============== 10850.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10850.7 LDB: ============= START OF LOAD BALANCING ============== 10851 LDB: Largest compute 7078 load 0.033118 is 16.9% of average load 0.195540 LDB: Average compute 0.004357 is 2.2% of average load 0.195540 LDB: TIME 10851 LOAD: AVG 0.19554 MAX 0.216668 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.957 MB LDB: TIME 10851 LOAD: AVG 0.19554 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 10851 LOAD: AVG 0.19554 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 10851 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10851 PRESSURE: 3412400 5.75261 -147.058 173.647 -147.058 -112.492 -82.9338 173.648 -82.9336 -317.396 GPRESSURE: 3412400 -33.2275 -102.738 158.908 -107.087 3.39888 1.38196 80.865 -10.2217 -298.297 PRESSAVG: 3412400 4.19215 -53.5025 4.3511 -53.5025 -2.27193 56.2676 4.35114 56.2676 -14.7403 GPRESSAVG: 3412400 2.90377 -54.0682 4.6222 -54.2907 -1.41189 54.7131 2.82233 57.2993 -14.9822 TIMING: 3412400 CPU: 10838.9, 0.00320039/step Wall: 10838.9, 0.00320039/step, 1.41137 hours remaining, 233.406250 MB of memory in use. ENERGY: 3412400 3982.7031 20447.1450 14436.0378 247.9144 -203057.3533 2533.3186 0.0000 0.0000 51813.4231 -109596.8113 297.7725 -161410.2345 -109239.5345 298.9667 -141.3785 -109.3751 761781.2154 -4.2734 -4.4968 PRESSURE: 3412600 -46.2195 -13.7808 -19.5632 -13.7813 -116.373 -2.11036 -19.5629 -2.10959 -361.238 GPRESSURE: 3412600 25.992 104.032 -19.4545 -127.167 -56.3488 23.2869 172.831 30.4416 -409.587 PRESSAVG: 3412600 -11.7288 -23.0565 23.7804 -23.0565 47.3055 27.892 23.7805 27.892 7.02805 GPRESSAVG: 3412600 -11.192 -23.7639 22.8834 -19.6485 45.915 27.8196 25.9451 28.4396 7.48448 TIMING: 3412600 CPU: 10839.5, 0.00313367/step Wall: 10839.5, 0.00313367/step, 1.38177 hours remaining, 233.664062 MB of memory in use. ENERGY: 3412600 4055.9279 20358.2313 14409.8933 231.3479 -203266.4638 2585.0219 0.0000 0.0000 52063.8469 -109562.1946 299.2116 -161626.0415 -109200.3690 298.8486 -174.6100 -146.6480 763822.1000 14.2016 14.0691 PRESSURE: 3412800 -9.55753 55.4304 285.921 55.4306 73.3827 68.3886 285.921 68.3877 -413.565 GPRESSURE: 3412800 88.9115 59.3817 289.84 -69.7524 69.6635 36.9878 142.508 152.955 -422.678 PRESSAVG: 3412800 -29.1387 -61.0075 21.2944 -61.0074 39.6866 20.0508 21.2944 20.0508 -9.64794 GPRESSAVG: 3412800 -28.7864 -59.9702 20.2316 -63.6915 39.7031 20.609 21.5311 18.4365 -10.3066 TIMING: 3412800 CPU: 10840.2, 0.00312267/step Wall: 10840.2, 0.00312268/step, 1.37675 hours remaining, 233.664062 MB of memory in use. ENERGY: 3412800 3990.9337 20487.9566 14428.2866 231.0061 -203465.6682 2721.1509 0.0000 0.0000 51787.7421 -109818.5921 297.6249 -161606.3343 -109462.2146 298.8888 -116.5799 -88.0345 760355.7027 0.3000 0.2034 PRESSURE: 3413000 -68.6188 -317.888 145.157 -317.889 358.779 253.111 145.157 253.111 485.011 GPRESSURE: 3413000 37.8767 -225.27 161.14 -260.944 404.424 126.226 139.87 238.282 414.673 PRESSAVG: 3413000 -31.6794 -34.9864 27.8269 -34.9865 17.671 30.499 27.8269 30.4991 4.45674 GPRESSAVG: 3413000 -33.0839 -34.4736 29.2055 -35.8666 18.929 30.3829 30.2712 31.5822 4.57979 TIMING: 3413000 CPU: 10840.8, 0.00313784/step Wall: 10840.8, 0.00313784/step, 1.38326 hours remaining, 233.664062 MB of memory in use. ENERGY: 3413000 3918.4412 20452.5891 14426.1870 245.7848 -203408.7995 2862.2050 0.0000 0.0000 51940.7743 -109562.8181 298.5043 -161503.5924 -109204.4608 298.8400 258.3901 285.6580 761756.5334 -3.1839 -3.1917 PRESSURE: 3413200 162.426 22.5756 8.83236 22.5749 -20.372 64.6942 8.83234 64.6947 -27.9071 GPRESSURE: 3413200 215.708 5.81118 -29.2636 -9.16159 31.2407 158.554 -26.7203 37.9749 -45.6633 PRESSAVG: 3413200 -0.495451 -1.89948 4.87569 -1.8995 1.35773 22.9733 4.87562 22.9733 8.44607 GPRESSAVG: 3413200 -0.368231 -3.0538 4.95395 -0.222023 0.878714 24.5263 3.83524 20.9867 8.86989 TIMING: 3413200 CPU: 10841.4, 0.00314767/step Wall: 10841.4, 0.00314767/step, 1.38742 hours remaining, 233.664062 MB of memory in use. ENERGY: 3413200 4013.0190 20294.9087 14502.6677 248.9980 -203406.9956 2675.4004 0.0000 0.0000 52041.6020 -109630.3998 299.0838 -161672.0018 -109256.6472 299.0358 38.0491 67.0951 762074.9435 3.1028 3.1268 PRESSURE: 3413400 -426.006 4.97251 -16.2438 4.97276 -498.282 -132.647 -16.243 -132.646 -490.724 GPRESSURE: 3413400 -437.321 -64.3447 50.5713 19.7526 -495.461 -176.631 1.28324 -65.8433 -391.605 PRESSAVG: 3413400 24.9472 -4.20364 18.0032 -4.20368 -51.7836 47.5737 18.0031 47.5737 3.71433 GPRESSAVG: 3413400 23.5768 -3.63864 17.3762 -5.81965 -51.5573 45.9657 18.0248 52.3496 4.99551 TIMING: 3413400 CPU: 10842.1, 0.00315205/step Wall: 10842.1, 0.00315205/step, 1.38918 hours remaining, 233.664062 MB of memory in use. ENERGY: 3413400 3927.4219 20482.3944 14430.1821 255.2482 -203030.1489 2150.0101 0.0000 0.0000 52058.5679 -109726.3242 299.1813 -161784.8921 -109360.4819 298.7804 -471.6709 -441.4624 763698.5924 -7.7073 -7.6617 PRESSURE: 3413600 -209.557 45.8887 16.4342 45.8875 -148.463 -120.629 16.4336 -120.629 -104.667 GPRESSURE: 3413600 -160.71 -45.6717 83.0969 9.17652 -106.784 -51.1865 25.3312 -154.788 -99.1022 PRESSAVG: 3413600 -17.2806 5.01402 23.4963 5.01399 26.0482 3.69509 23.4963 3.69516 2.53075 GPRESSAVG: 3413600 -15.1481 5.27973 24.8978 6.56686 26.0319 3.08583 21.689 2.60262 0.491769 TIMING: 3413600 CPU: 10842.7, 0.00313493/step Wall: 10842.7, 0.00313493/step, 1.38146 hours remaining, 233.664062 MB of memory in use. ENERGY: 3413600 4074.5806 20617.6266 14467.1444 273.1484 -203206.1603 2432.9943 0.0000 0.0000 51816.0181 -109524.6480 297.7874 -161340.6661 -109172.9521 299.2207 -154.2291 -122.1986 760855.5840 3.7661 3.7918 PRESSURE: 3413800 167.769 -27.2855 -123.677 -27.2854 -346.799 151.291 -123.677 151.291 -341.017 GPRESSURE: 3413800 195.681 64.2834 -90.1405 -102.032 -303.108 110.424 -115.415 236.988 -312.277 PRESSAVG: 3413800 43.4334 -37.8415 33.8987 -37.8416 -28.3005 41.4201 33.8988 41.4201 9.83653 GPRESSAVG: 3413800 41.6637 -39.1486 33.7 -38.6347 -27.4895 40.916 34.3349 41.0687 10.8384 TIMING: 3413800 CPU: 10843.3, 0.00317009/step Wall: 10843.3, 0.00317009/step, 1.39678 hours remaining, 233.664062 MB of memory in use. ENERGY: 3413800 3959.5600 20379.8626 14493.6365 250.5690 -203314.4056 2720.4280 0.0000 0.0000 52067.3598 -109442.9897 299.2318 -161510.3495 -109077.0874 299.4258 -173.3492 -139.9013 761328.6873 8.3231 8.3375 PRESSURE: 3414000 184.091 92.4218 -69.736 92.4217 177.866 40.0119 -69.7357 40.0108 161.923 GPRESSURE: 3414000 219.951 -27.0026 -127.866 137.58 151.205 35.9288 -90.9829 25.7703 215.06 PRESSAVG: 3414000 41.1827 -63.5625 -19.7927 -63.5625 -40.3948 43.614 -19.7927 43.614 0.42247 GPRESSAVG: 3414000 42.2274 -63.8676 -21.1887 -61.7299 -41.3024 45.3461 -18.6694 41.6355 -0.0487141 TIMING: 3414000 CPU: 10844, 0.00317129/step Wall: 10844, 0.00317129/step, 1.39713 hours remaining, 233.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3414000 3952.0804 20572.0371 14454.9947 259.8493 -203464.6594 2676.7920 0.0000 0.0000 52094.7789 -109454.1270 299.3894 -161548.9059 -109099.0627 299.4026 174.6266 195.4055 760721.4527 0.4035 0.2921 PRESSURE: 3414200 -169.216 30.0789 -195.812 30.0782 -149.389 157.525 -195.812 157.525 -516.66 GPRESSURE: 3414200 -3.96478 122.382 -116.894 -69.6864 -276.714 81.9224 -121.5 67.5602 -455.098 PRESSAVG: 3414200 25.6841 26.7084 12.8564 26.7084 -43.4401 49.1326 12.8564 49.1326 -4.48578 GPRESSAVG: 3414200 25.6925 29.0783 15.0178 24.1796 -43.4861 46.0113 10.6503 50.9319 -4.24825 TIMING: 3414200 CPU: 10844.6, 0.00314716/step Wall: 10844.6, 0.00314716/step, 1.38632 hours remaining, 233.664062 MB of memory in use. ENERGY: 3414200 3986.4767 20495.7294 14432.6750 243.9881 -202590.7495 2100.5590 0.0000 0.0000 51944.8789 -109386.4423 298.5279 -161331.3212 -109030.2086 299.0713 -278.4217 -245.2589 761660.7206 -7.4139 -7.3473 PRESSURE: 3414400 -119.43 -350.76 -108.787 -350.761 67.304 -154.003 -108.786 -154.002 -164.521 GPRESSURE: 3414400 -32.3619 -325.922 -142.618 -176.19 14.6819 -215.726 66.752 -30.6279 -109.379 PRESSAVG: 3414400 -9.86156 3.74448 -20.1742 3.74444 -8.10968 49.9166 -20.1742 49.9166 -16.181 GPRESSAVG: 3414400 -9.68148 3.61326 -21.368 3.84703 -8.03309 50.6386 -20.0888 49.4821 -16.095 TIMING: 3414400 CPU: 10845.2, 0.00313696/step Wall: 10845.2, 0.00313696/step, 1.38166 hours remaining, 233.664062 MB of memory in use. ENERGY: 3414400 3983.6790 20499.9593 14430.2309 231.0601 -202852.6578 2276.4830 0.0000 0.0000 52125.6115 -109305.6340 299.5666 -161431.2455 -108935.8617 299.9260 -72.2158 -42.3530 761472.7343 -11.3841 -11.2698 PRESSURE: 3414600 103.941 -67.9543 -272.28 -67.954 284.114 -27.876 -272.28 -27.8754 -171.897 GPRESSURE: 3414600 261.253 -132.865 -275.446 -31.2918 207.147 -3.81131 -251.949 80.9449 -156.952 PRESSAVG: 3414600 20.3923 12.853 5.93335 12.8529 14.469 -2.52222 5.93332 -2.52223 2.65083 GPRESSAVG: 3414600 20.1522 12.6358 6.30866 12.6085 14.2664 -1.20941 8.70502 -1.12638 2.96464 TIMING: 3414600 CPU: 10845.8, 0.00313739/step Wall: 10845.8, 0.00313739/step, 1.38167 hours remaining, 233.664062 MB of memory in use. ENERGY: 3414600 3996.5591 20564.1242 14337.3263 261.8241 -203066.5147 2636.9058 0.0000 0.0000 52049.6831 -109220.0920 299.1302 -161269.7751 -108854.7644 300.1882 72.0526 103.8160 761065.1696 12.5041 12.4611 PRESSURE: 3414800 -139.917 -53.1842 513.743 -53.1848 -56.7244 304.725 513.743 304.727 138.569 GPRESSURE: 3414800 -97.528 -90.9356 402.635 -57.8846 -45.1168 223.025 278.594 268.641 174.986 PRESSAVG: 3414800 88.269 -31.163 28.3545 -31.163 -24.5481 -24.5136 28.3545 -24.5137 -2.67855 GPRESSAVG: 3414800 87.7462 -32.2718 27.6121 -29.7842 -23.5574 -21.6437 25.6354 -29.1969 -2.65253 TIMING: 3414800 CPU: 10846.5, 0.00315769/step Wall: 10846.5, 0.00315769/step, 1.39044 hours remaining, 233.664062 MB of memory in use. ENERGY: 3414800 4022.0373 20320.7975 14393.1371 245.4455 -202779.6200 2402.1147 0.0000 0.0000 52018.7922 -109377.2955 298.9527 -161396.0877 -109014.2376 299.4783 -19.3575 10.7804 760840.6825 20.3475 20.5121 PRESSURE: 3415000 -264.24 -55.8955 -145.259 -55.8957 -417.199 -56.0899 -145.259 -56.0899 -99.0227 GPRESSURE: 3415000 -281.452 -31.4159 9.52553 -50.0287 -313.826 4.17896 -25.4985 -129.109 -83.7549 PRESSAVG: 3415000 16.9583 -84.8316 1.73222 -84.8317 -9.61972 -16.3369 1.73228 -16.3369 21.7364 GPRESSAVG: 3415000 17.031 -84.8054 2.46302 -85.0748 -9.60543 -18.9439 4.34222 -14.654 20.9737 TIMING: 3415000 CPU: 10847.1, 0.00315149/step Wall: 10847.1, 0.00315149/step, 1.38753 hours remaining, 233.664062 MB of memory in use. ENERGY: 3415000 4076.8021 20374.8449 14486.2375 228.6709 -202818.4963 2235.4013 0.0000 0.0000 52102.2549 -109314.2846 299.4324 -161416.5395 -108948.6834 299.0957 -260.1538 -226.3441 762254.9430 9.6917 9.4664 PRESSURE: 3415200 -114.545 -118.481 -176.011 -118.481 -280.069 46.6405 -176.012 46.6403 -450.456 GPRESSURE: 3415200 -96.6411 -137.944 -231.345 -109.05 -172.535 82.2595 -18.224 -1.75667 -491.613 PRESSAVG: 3415200 -5.12342 -39.9614 -0.614937 -39.9614 4.32888 -25.6026 -0.614982 -25.6026 -2.47708 GPRESSAVG: 3415200 -6.05013 -38.3035 0.118738 -40.4118 5.22021 -26.5769 -2.00686 -26.717 -2.77855 TIMING: 3415200 CPU: 10847.7, 0.00316364/step Wall: 10847.7, 0.00316364/step, 1.3927 hours remaining, 233.664062 MB of memory in use. ENERGY: 3415200 4026.2549 20384.4174 14480.2640 233.8359 -202445.0927 2039.6100 0.0000 0.0000 52140.5900 -109140.1205 299.6527 -161280.7105 -108772.0653 299.5186 -281.6900 -253.5962 761837.0420 -1.0905 -1.2028 PRESSURE: 3415400 -201.742 -167.42 -18.0563 -167.42 -148.589 -134.513 -18.0561 -134.514 -183.942 GPRESSURE: 3415400 -128.22 -154.976 -37.5354 -176.431 -185.508 -171.434 -41.3026 -31.552 -145.02 PRESSAVG: 3415400 -14.5216 -14.3919 19.0176 -14.392 14.8722 -16.4281 19.0176 -16.4281 -14.4636 GPRESSAVG: 3415400 -13.5893 -17.0914 18.0121 -14.0402 13.5914 -14.9419 19.3198 -13.482 -13.593 TIMING: 3415400 CPU: 10848.4, 0.00316766/step Wall: 10848.4, 0.00316766/step, 1.3943 hours remaining, 233.664062 MB of memory in use. ENERGY: 3415400 3975.6634 20549.3834 14426.1519 238.3694 -202866.8371 2309.5305 0.0000 0.0000 52209.3429 -109158.3956 300.0478 -161367.7385 -108802.8215 299.8179 -178.0909 -152.9161 762229.2933 -4.7044 -4.5303 PRESSURE: 3415600 162.89 -61.6615 10.2384 -61.6617 381.038 -167.603 10.2385 -167.602 407.375 GPRESSURE: 3415600 205.206 -67.4046 81.7171 84.3198 431.708 -103.571 -70.3634 -120.83 410.636 PRESSAVG: 3415600 79.4149 2.59784 19.6089 2.59792 -16.0328 -16.1695 19.6089 -16.1695 6.83991 GPRESSAVG: 3415600 78.7263 3.30799 22.4211 2.86498 -16.3706 -16.1216 18.7299 -16.9122 7.80719 TIMING: 3415600 CPU: 10849, 0.00316055/step Wall: 10849, 0.00316055/step, 1.39099 hours remaining, 233.664062 MB of memory in use. ENERGY: 3415600 3952.4032 20351.3280 14489.3317 245.6128 -202871.6300 2324.5900 0.0000 0.0000 52193.7168 -109314.6476 299.9580 -161508.3644 -108938.8493 299.1764 317.1008 349.1831 759755.5945 23.4074 23.3876 PRESSURE: 3415800 -291.149 -237.477 54.0246 -237.478 96.0104 -70.3391 54.0255 -70.3388 193.889 GPRESSURE: 3415800 -150.698 -201.849 47.7827 -346.102 117.418 32.7647 136.04 -81.2958 148.156 PRESSAVG: 3415800 -9.89737 -1.37839 21.1576 -1.37845 14.1129 -38.566 21.1576 -38.5661 7.20854 GPRESSAVG: 3415800 -8.57692 -1.37445 18.511 -1.18208 14.2487 -39.7919 22.7881 -36.7041 5.27056 TIMING: 3415800 CPU: 10849.6, 0.00315293/step Wall: 10849.6, 0.00315293/step, 1.38746 hours remaining, 233.792969 MB of memory in use. ENERGY: 3415800 3999.4525 20263.0137 14430.9590 256.9191 -202978.9959 2407.5022 0.0000 0.0000 52112.1804 -109508.9690 299.4894 -161621.1494 -109143.1979 299.5346 -0.4165 38.2921 760529.6021 3.8080 3.6474 PRESSURE: 3416000 -186.704 -97.2137 142.39 -97.2146 -387.395 -173.746 142.39 -173.746 -298.245 GPRESSURE: 3416000 -189.127 -213.074 39.6803 -96.1471 -325.906 -118.229 225.177 -179.219 -290.51 PRESSAVG: 3416000 39.6451 -40.74 -1.32182 -40.7401 -55.4976 -8.84712 -1.32178 -8.84705 14.2218 GPRESSAVG: 3416000 38.7367 -39.036 -0.17498 -41.2574 -54.5559 -9.68576 -2.05725 -11.4396 14.3299 TIMING: 3416000 CPU: 10850.3, 0.00314967/step Wall: 10850.3, 0.00314967/step, 1.38585 hours remaining, 233.792969 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: 3416000 3940.0382 20518.7870 14435.2215 249.4440 -202928.5319 2233.8143 0.0000 0.0000 51900.5520 -109650.6748 298.2732 -161551.2269 -109307.2824 298.9529 -290.7812 -268.5145 761941.3547 -0.5436 -0.4964 PRESSURE: 3416200 -19.145 -22.8025 146.24 -22.8024 -130.99 7.45169 146.241 7.45139 -121.522 GPRESSURE: 3416200 23.6827 -179.549 130.82 19.0427 -110.732 -36.0415 -27.6502 -29.2098 -73.5012 PRESSAVG: 3416200 44.5149 -19.5882 16.2541 -19.5882 -31.1205 -58.6645 16.2541 -58.6645 -20.2538 GPRESSAVG: 3416200 43.7348 -22.0553 15.9993 -20.2986 -31.503 -56.3431 15.826 -59.1917 -19.1108 TIMING: 3416200 CPU: 10850.9, 0.00314947/step Wall: 10850.9, 0.00314947/step, 1.38559 hours remaining, 233.792969 MB of memory in use. ENERGY: 3416200 3988.4178 20454.8354 14424.0945 244.9221 -202917.4085 2366.1151 0.0000 0.0000 51735.5487 -109703.4749 297.3249 -161439.0236 -109344.1109 298.5994 -90.5524 -53.5167 761466.0434 -2.2865 -2.2930 LDB: ============= START OF LOAD BALANCING ============== 10863.3 LDB: ============== END OF LOAD BALANCING =============== 10863.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10863.3 LDB: ============= START OF LOAD BALANCING ============== 10863.6 LDB: Largest compute 7070 load 0.031602 is 16.2% of average load 0.195527 LDB: Average compute 0.004377 is 2.2% of average load 0.195527 LDB: TIME 10863.6 LOAD: AVG 0.195527 MAX 0.214845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 10863.6 LOAD: AVG 0.195527 MAX 0.214845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 10863.6 LOAD: AVG 0.195527 MAX 0.214845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 10863.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10863.6 PRESSURE: 3416400 -197.247 16.1586 73.036 16.1582 -171.167 -252.239 73.0362 -252.238 -96.4407 GPRESSURE: 3416400 -197.234 -45.4722 59.4093 -26.207 -94.6495 -331.335 51.5765 -141.624 -79.6231 PRESSAVG: 3416400 4.30124 20.8599 33.7459 20.8599 -18.7906 -30.9771 33.7459 -30.9771 4.07996 GPRESSAVG: 3416400 4.67781 21.3157 34.4773 21.9829 -18.1892 -32.0092 35.705 -30.8601 2.90476 TIMING: 3416400 CPU: 10851.5, 0.00322363/step Wall: 10851.5, 0.00322363/step, 1.41804 hours remaining, 234.902344 MB of memory in use. ENERGY: 3416400 3997.3892 20326.2453 14435.1305 252.0216 -202904.1801 2458.5203 0.0000 0.0000 51931.5774 -109503.2958 298.4515 -161434.8732 -109148.2302 298.6199 -154.9518 -123.8356 762729.2954 -3.4698 -3.5355 PRESSURE: 3416600 -227.036 -39.9026 120.948 -39.9024 -69.3806 22.1086 120.948 22.1094 -101.597 GPRESSURE: 3416600 -148.358 -174.614 184.131 -110.839 -80.6027 113.414 222.203 60.5671 -81.9036 PRESSAVG: 3416600 41.1905 1.38503 15.4058 1.38501 -39.451 -12.5911 15.4057 -12.5911 -7.2255 GPRESSAVG: 3416600 41.4336 -0.216422 13.418 3.15817 -40.4848 -12.4841 16.3621 -10.9278 -6.31482 TIMING: 3416600 CPU: 10852.2, 0.00315312/step Wall: 10852.2, 0.00315312/step, 1.38685 hours remaining, 234.972656 MB of memory in use. ENERGY: 3416600 3957.3819 20417.4441 14432.7702 245.1557 -203078.9546 2482.9866 0.0000 0.0000 51847.5315 -109695.6847 297.9685 -161543.2162 -109335.6785 298.8660 -132.6711 -103.6216 762136.3684 -1.8287 -1.7886 PRESSURE: 3416800 69.2053 31.4099 -172.243 31.4106 167.312 -97.3306 -172.244 -97.3316 293.16 GPRESSURE: 3416800 140.194 76.4475 -120.211 -55.0263 263.442 -155.265 -167.394 -17.8514 231.77 PRESSAVG: 3416800 47.0374 -35.119 -3.71479 -35.1189 -55.9737 20.5844 -3.71482 20.5844 8.8821 GPRESSAVG: 3416800 46.8394 -33.823 -3.08037 -37.4341 -55.1668 19.4736 -6.49042 21.2712 8.14781 TIMING: 3416800 CPU: 10852.8, 0.00316577/step Wall: 10852.8, 0.00316577/step, 1.39223 hours remaining, 234.972656 MB of memory in use. ENERGY: 3416800 4018.1833 20333.9611 14406.4429 239.3289 -203218.9389 2514.1851 0.0000 0.0000 52018.8816 -109687.9559 298.9532 -161706.8375 -109320.0448 298.9783 176.5588 211.8017 761414.8287 -0.0181 -0.0599 PRESSURE: 3417000 169.281 26.9096 -9.16144 26.909 16.3601 108.058 -9.16112 108.059 14.4607 GPRESSURE: 3417000 312.265 12.4681 35.4581 -37.7357 9.67711 40.795 -28.2384 52.4653 -31.7049 PRESSAVG: 3417000 30.2364 -29.301 20.0081 -29.301 -85.0826 12.5019 20.008 12.5018 -3.51488 GPRESSAVG: 3417000 30.6052 -29.3117 20.7429 -30.6847 -85.9364 12.7235 20.439 11.5036 -3.07858 TIMING: 3417000 CPU: 10853.4, 0.00317921/step Wall: 10853.4, 0.00317921/step, 1.39797 hours remaining, 234.972656 MB of memory in use. ENERGY: 3417000 3933.2334 20465.5253 14472.9712 238.9480 -203507.4480 2945.9290 0.0000 0.0000 51873.8052 -109577.0359 298.1195 -161450.8411 -109223.1147 298.7670 66.7006 96.7456 761354.0358 -19.4537 -19.4699 PRESSURE: 3417200 -311.749 58.8726 64.1247 58.8717 -337.734 63.8888 64.1244 63.8884 -108.354 GPRESSURE: 3417200 -267.324 205.088 77.3135 -37.6824 -264.773 80.1618 64.5914 101.126 -133.907 PRESSAVG: 3417200 74.6232 10.8865 -9.26678 10.8865 -19.0262 37.3551 -9.26679 37.3552 10.0601 GPRESSAVG: 3417200 74.3252 11.7003 -8.80439 10.7105 -18.8218 37.8257 -8.01875 37.2946 10.3447 TIMING: 3417200 CPU: 10854.1, 0.00315852/step Wall: 10854.1, 0.00315852/step, 1.3887 hours remaining, 234.972656 MB of memory in use. ENERGY: 3417200 4008.8232 20611.7878 14393.5991 245.8843 -202859.9018 2348.8064 0.0000 0.0000 51742.5127 -109508.4883 297.3649 -161251.0010 -109147.1456 298.9210 -252.6124 -222.0014 761725.1195 21.8857 21.9494 PRESSURE: 3417400 -194.914 -28.1523 -32.967 -28.1515 70.3696 -96.335 -32.9667 -96.335 186.79 GPRESSURE: 3417400 -117.865 -23.451 -75.4028 -14.9314 84.8368 -169.623 16.7788 -9.97442 190.599 PRESSAVG: 3417400 -19.255 31.1136 81.3222 31.1137 11.3404 29.4995 81.3222 29.4995 -13.4205 GPRESSAVG: 3417400 -19.4279 30.0371 80.7521 33.1436 10.717 28.8689 78.7355 29.9857 -12.5673 TIMING: 3417400 CPU: 10854.7, 0.00315422/step Wall: 10854.7, 0.00315422/step, 1.38663 hours remaining, 234.972656 MB of memory in use. ENERGY: 3417400 4028.9069 20322.0197 14499.9368 253.1787 -203295.9031 2557.2178 0.0000 0.0000 52230.4057 -109404.2376 300.1689 -161634.6432 -109043.2454 298.8288 20.7483 52.5234 760096.2620 -7.1117 -7.0927 PRESSURE: 3417600 -202.451 -28.0464 -107.183 -28.0468 -41.5234 -318.447 -107.182 -318.448 -15.024 GPRESSURE: 3417600 -31.8985 41.9372 -60.2174 -103.296 -44.2753 -313.184 -6.06943 -210.883 -82.6221 PRESSAVG: 3417600 10.97 16.122 41.328 16.122 -17.4084 -7.80416 41.328 -7.8041 4.78125 GPRESSAVG: 3417600 11.0539 16.9101 40.8356 15.7872 -17.3344 -7.64136 42.695 -6.69698 4.43505 TIMING: 3417600 CPU: 10855.3, 0.00315542/step Wall: 10855.3, 0.00315542/step, 1.38698 hours remaining, 234.972656 MB of memory in use. ENERGY: 3417600 3989.8749 20374.2409 14502.8468 228.3611 -203262.1299 2549.8336 0.0000 0.0000 52318.8714 -109298.1012 300.6773 -161616.9726 -108942.5676 299.4739 -86.3329 -52.9320 761539.6771 -0.5524 -0.6152 PRESSURE: 3417800 -74.004 -256.566 217.715 -256.567 277.219 -32.721 217.715 -32.7214 95.2875 GPRESSURE: 3417800 -9.4727 -358.251 122.649 -173.202 285.735 6.19825 214.594 -25.3398 115.768 PRESSAVG: 3417800 12.6977 -63.1261 44.6832 -63.1262 -3.37645 -117.161 44.6831 -117.161 -11.7037 GPRESSAVG: 3417800 13.1586 -64.3834 43.5162 -62.0939 -3.79183 -115.467 43.8947 -117.992 -11.4197 TIMING: 3417800 CPU: 10856, 0.00315058/step Wall: 10856, 0.00315058/step, 1.38468 hours remaining, 234.972656 MB of memory in use. ENERGY: 3417800 4031.8879 20524.5866 14377.8980 252.3790 -202940.5963 2385.8402 0.0000 0.0000 52091.1098 -109276.8948 299.3683 -161368.0046 -108926.5355 300.0037 99.5008 130.6770 761005.7828 -0.7942 -0.6843 PRESSURE: 3418000 -150.676 -40.4413 151.314 -40.4406 -235.415 28.7841 151.314 28.7848 -155.601 GPRESSURE: 3418000 -106.438 -119.81 235.502 -54.0699 -160.096 122.34 225.494 -52.1668 -178.588 PRESSAVG: 3418000 -14.9696 -131.146 23.0913 -131.146 -44.2867 -55.9633 23.0913 -55.9632 18.9608 GPRESSAVG: 3418000 -16.4031 -131.373 24.141 -131.086 -42.0809 -57.7886 23.737 -56.7289 18.1102 TIMING: 3418000 CPU: 10856.6, 0.00315878/step Wall: 10856.6, 0.00315878/step, 1.38811 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3418000 4001.9505 20518.3084 14398.0980 230.7812 -203120.6750 2537.9437 0.0000 0.0000 51954.2522 -109479.3409 298.5818 -161433.5931 -109131.4737 299.8110 -180.5641 -148.3741 763175.1417 -13.4318 -13.4579 PRESSURE: 3418200 -43.5419 -189.697 16.0488 -189.698 83.7135 4.38377 16.0485 4.38407 327.344 GPRESSURE: 3418200 53.5088 -153.794 9.51402 -160.347 79.7718 -32.6136 -52.8019 103.009 331.285 PRESSAVG: 3418200 0.158171 -35.7418 100.512 -35.7418 -16.1264 -25.4981 100.512 -25.4981 -7.52133 GPRESSAVG: 3418200 1.29194 -36.984 99.6435 -34.7338 -17.3096 -23.6501 100.077 -24.5574 -6.58717 TIMING: 3418200 CPU: 10857.2, 0.00317125/step Wall: 10857.2, 0.00317125/step, 1.39341 hours remaining, 234.972656 MB of memory in use. ENERGY: 3418200 4018.7589 20482.1003 14343.5919 249.4695 -202931.3228 2563.3332 0.0000 0.0000 51790.5934 -109483.4756 297.6413 -161274.0690 -109135.8491 299.2847 122.5051 154.8551 762245.3606 -7.8299 -7.5350 PRESSURE: 3418400 -215.942 -115.142 -84.2005 -115.142 -324.209 54.9958 -84.2007 54.9953 186.387 GPRESSURE: 3418400 -147.501 67.7083 -106.69 -44.7969 -340.582 70.3313 -116.198 -48.2492 213.186 PRESSAVG: 3418400 -4.02497 -89.5975 4.75993 -89.5975 17.1534 -28.7245 4.75988 -28.7245 -26.0479 GPRESSAVG: 3418400 -3.60364 -86.7228 5.64235 -89.6687 17.1222 -31.6941 5.30415 -27.8323 -26.6298 TIMING: 3418400 CPU: 10857.9, 0.00317767/step Wall: 10857.9, 0.00317767/step, 1.39606 hours remaining, 234.972656 MB of memory in use. ENERGY: 3418400 3985.6389 20298.6641 14364.0332 240.2922 -203018.5564 2518.0298 0.0000 0.0000 52164.7197 -109447.1785 299.7914 -161611.8983 -109073.4169 299.0991 -117.9211 -91.6323 763652.2443 -4.3065 -4.3704 PRESSURE: 3418600 -211.031 -138.614 -89.3019 -138.614 230.332 -121.271 -89.3033 -121.273 -176.922 GPRESSURE: 3418600 -217.683 -112.356 -81.6241 -121.541 236.981 -146.98 -89.1969 -135.1 -118.034 PRESSAVG: 3418600 -19.8964 -36.4672 -5.77655 -36.4672 15.178 27.6233 -5.77658 27.6233 2.05241 GPRESSAVG: 3418600 -20.1921 -36.3398 -6.20201 -38.3215 15.7165 30.2722 -5.31298 25.9664 1.37123 TIMING: 3418600 CPU: 10858.5, 0.00314853/step Wall: 10858.5, 0.00314853/step, 1.38308 hours remaining, 234.972656 MB of memory in use. ENERGY: 3418600 3927.0950 20364.2777 14435.8363 247.9372 -203050.1412 2409.7679 0.0000 0.0000 52038.0584 -109627.1689 299.0634 -161665.2272 -109264.3254 299.0387 -52.5401 -32.9122 762448.7470 -0.8887 -1.0348 PRESSURE: 3418800 265.886 -351.247 -64.5516 -351.246 -204.234 -179.214 -64.5517 -179.214 -255.268 GPRESSURE: 3418800 286.633 -337.7 1.87951 -236.758 -151.689 -133.516 -65.3055 -45.3807 -228.356 PRESSAVG: 3418800 -8.40411 -19.3869 5.87472 -19.3869 6.63018 -0.973972 5.8747 -0.97385 16.0769 GPRESSAVG: 3418800 -6.26712 -21.651 6.1107 -19.1618 6.02504 -2.02895 6.46352 0.450686 15.341 TIMING: 3418800 CPU: 10859.1, 0.00315238/step Wall: 10859.1, 0.00315238/step, 1.3846 hours remaining, 234.972656 MB of memory in use. ENERGY: 3418800 3967.9246 20279.5360 14462.9931 234.0323 -203438.7055 2877.1054 0.0000 0.0000 52070.3020 -109546.8121 299.2487 -161617.1141 -109190.7038 299.0562 -64.5389 -31.1372 761155.1744 4.7677 5.0330 PRESSURE: 3419000 89.0297 -137.503 -88.3665 -137.503 -214.057 -214.664 -88.3668 -214.664 201.196 GPRESSURE: 3419000 84.8583 -25.9524 -54.8073 -191.535 -181.41 -158.099 -167.105 -228.871 266.133 PRESSAVG: 3419000 51.1304 -100.664 -16.7189 -100.664 -63.9619 9.82929 -16.7189 9.82924 -10.3498 GPRESSAVG: 3419000 48.4415 -99.4526 -16.7336 -101.145 -62.9947 7.86798 -17.3317 8.76691 -9.20521 TIMING: 3419000 CPU: 10859.7, 0.00315627/step Wall: 10859.7, 0.00315627/step, 1.38613 hours remaining, 234.972656 MB of memory in use. ENERGY: 3419000 4010.0588 20288.4167 14447.0226 240.0206 -203109.7771 2446.1872 0.0000 0.0000 52058.3872 -109619.6840 299.1803 -161678.0712 -109256.9343 298.7790 25.3896 56.5269 760576.2698 -7.7271 -7.9195 PRESSURE: 3419200 97.6363 -162.045 -51.2664 -162.044 15.69 62.8476 -51.2668 62.848 -194.805 GPRESSURE: 3419200 102.293 -222.901 25.8084 -109.006 102.218 105.496 -123.103 25.2009 -190.3 PRESSAVG: 3419200 -24.4824 -32.5744 26.0744 -32.5744 -4.33794 80.7704 26.0744 80.7703 -9.05648 GPRESSAVG: 3419200 -25.1519 -30.7974 26.4455 -32.2173 -5.01235 81.1211 27.1731 81.2761 -8.05081 TIMING: 3419200 CPU: 10860.4, 0.00317575/step Wall: 10860.4, 0.00317575/step, 1.39451 hours remaining, 234.972656 MB of memory in use. ENERGY: 3419200 3902.5001 20595.8663 14468.9643 251.8363 -203104.8886 2422.9681 0.0000 0.0000 51641.1786 -109821.5749 296.7826 -161462.7536 -109476.0819 298.5679 -27.1595 4.7368 761264.1388 -12.6256 -12.7384 PRESSURE: 3419400 162.316 -207.79 71.4492 -207.789 -143.088 82.4932 71.4496 82.4938 180.842 GPRESSURE: 3419400 217.92 -279.076 73.0069 -95.4886 -52.1527 81.4961 81.4719 94.9283 117.823 PRESSAVG: 3419400 32.919 -36.8399 21.9432 -36.8399 -0.743342 -57.8136 21.9432 -57.8136 -0.0667889 GPRESSAVG: 3419400 34.8757 -37.1574 22.3219 -36.2404 -1.8871 -55.5969 21.5745 -56.6616 -0.680396 TIMING: 3419400 CPU: 10861, 0.00319416/step Wall: 10861, 0.00319416/step, 1.40242 hours remaining, 234.972656 MB of memory in use. ENERGY: 3419400 3947.3084 20350.0097 14472.3843 252.0722 -203591.8000 2827.0303 0.0000 0.0000 52063.9849 -109679.0103 299.2124 -161742.9952 -109319.0008 299.1749 66.6904 94.5302 760654.2157 10.7029 10.7694 PRESSURE: 3419600 -192.25 -19.9627 37.2818 -19.9634 -74.2014 93.0742 37.2826 93.0748 71.0745 GPRESSURE: 3419600 -98.3402 54.4517 -12.2052 -29.4582 -91.5253 90.6006 -12.6296 -30.4006 66.2384 PRESSAVG: 3419600 61.3237 -81.9425 52.2752 -81.9425 -19.4414 -24.4298 52.2752 -24.4298 9.82431 GPRESSAVG: 3419600 61.4572 -82.6074 51.345 -83.2296 -20.0102 -26.2898 52.0232 -26.4138 10.3318 TIMING: 3419600 CPU: 10861.7, 0.00316501/step Wall: 10861.7, 0.00316501/step, 1.38944 hours remaining, 234.972656 MB of memory in use. ENERGY: 3419600 3959.2806 20367.5624 14419.1243 228.8409 -203122.6274 2545.7444 0.0000 0.0000 52004.2988 -109597.7760 298.8694 -161602.0748 -109247.7295 299.0913 -65.1255 -41.2090 760957.8424 17.2355 17.2596 PRESSURE: 3419800 -46.9483 -77.8326 135.209 -77.8319 64.4052 -132.524 135.209 -132.523 55.1795 GPRESSURE: 3419800 32.5786 -90.9809 169.257 -49.5139 46.2325 -233.889 74.433 -154.329 70.2294 PRESSAVG: 3419800 -1.79424 -32.2666 0.157254 -32.2666 -6.41874 -44.2571 0.157234 -44.257 -26.4964 GPRESSAVG: 3419800 -0.704196 -34.4891 0.700187 -31.1582 -7.00828 -43.5648 -0.0210923 -44.5843 -26.8182 TIMING: 3419800 CPU: 10862.3, 0.00316384/step Wall: 10862.3, 0.00316384/step, 1.38875 hours remaining, 234.972656 MB of memory in use. ENERGY: 3419800 3956.0279 20566.0283 14460.6406 254.8416 -203202.4694 2551.4322 0.0000 0.0000 51695.0102 -109718.4886 297.0919 -161413.4988 -109370.4397 298.9259 24.2121 49.6801 759610.0380 -11.5698 -11.5102 PRESSURE: 3420000 3.95576 -32.9486 -157.691 -32.9476 177.257 -75.7037 -157.69 -75.7035 -89.1385 GPRESSURE: 3420000 17.4482 -32.521 -161.687 -96.1822 198.849 -45.4325 134.549 -78.9274 -63.4412 PRESSAVG: 3420000 31.56 -72.6648 -26.7836 -72.6647 14.4245 -51.9521 -26.7836 -51.9522 -7.08298 GPRESSAVG: 3420000 30.5393 -70.792 -25.9402 -71.8894 14.7773 -51.8689 -26.4054 -49.9795 -7.42926 TIMING: 3420000 CPU: 10862.9, 0.00316467/step Wall: 10862.9, 0.00316468/step, 1.38894 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3420000 3932.6705 20480.7380 14436.9264 244.3723 -203583.4659 2619.0477 0.0000 0.0000 52253.3219 -109616.3891 300.3006 -161869.7110 -109251.8201 298.6101 30.6913 50.9521 760816.5564 12.9672 12.6291 PRESSURE: 3420200 -256.984 -18.7183 249.259 -18.7193 36.308 -9.38893 249.259 -9.38903 -294.527 GPRESSURE: 3420200 -226.39 3.80702 267.179 16.3375 64.849 54.4863 234.44 -29.7176 -269.889 PRESSAVG: 3420200 -30.2255 -48.9113 69.1105 -48.9113 15.4933 17.4482 69.1105 17.4483 -11.4779 GPRESSAVG: 3420200 -29.5395 -46.7647 68.6066 -51.5253 14.5288 17.9033 69.9858 15.5807 -11.4715 TIMING: 3420200 CPU: 10863.5, 0.0031428/step Wall: 10863.5, 0.0031428/step, 1.37917 hours remaining, 234.972656 MB of memory in use. ENERGY: 3420200 3967.2297 20548.8518 14521.8595 236.4869 -203567.1258 2430.7297 0.0000 0.0000 52091.1051 -109770.8631 299.3683 -161861.9683 -109402.4734 298.7192 -171.7344 -143.8099 759065.5893 -8.7367 -8.8274 LDB: ============= START OF LOAD BALANCING ============== 10876 LDB: ============== END OF LOAD BALANCING =============== 10876 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10876 LDB: ============= START OF LOAD BALANCING ============== 10876.3 LDB: Largest compute 7068 load 0.032468 is 16.6% of average load 0.195519 LDB: Average compute 0.004385 is 2.2% of average load 0.195519 LDB: TIME 10876.3 LOAD: AVG 0.195519 MAX 0.214506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.59 MB LDB: TIME 10876.3 LOAD: AVG 0.195519 MAX 0.214506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: TIME 10876.3 LOAD: AVG 0.195519 MAX 0.214506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: ============== END OF LOAD BALANCING =============== 10876.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10876.3 PRESSURE: 3420400 162.912 -8.72123 -34.4791 -8.72141 189.282 -206.24 -34.4784 -206.237 -4.33543 GPRESSURE: 3420400 215.936 120.077 -33.6002 -44.6147 151.349 -166.905 -111.188 -103.663 78.1951 PRESSAVG: 3420400 -12.672 -41.806 46.4635 -41.806 16.5393 8.81563 46.4635 8.81558 1.85082 GPRESSAVG: 3420400 -14.0261 -44.5108 45.8963 -40.6847 18.3698 8.70893 45.1049 9.08581 1.81663 TIMING: 3420400 CPU: 10864.2, 0.00322492/step Wall: 10864.2, 0.00322492/step, 1.41502 hours remaining, 234.132812 MB of memory in use. ENERGY: 3420400 3966.4938 20434.7174 14420.3645 229.1159 -203068.2101 2245.7911 0.0000 0.0000 51799.3609 -109972.3666 297.6916 -161771.7275 -109608.6822 298.7215 115.9530 148.4933 757958.6387 1.9061 2.0534 PRESSURE: 3420600 79.0349 -177.48 -210.18 -177.48 76.5884 -100.283 -210.179 -100.282 -28.6057 GPRESSURE: 3420600 118.953 -145.938 -198.363 -175.966 170.545 -167.662 -214.166 -24.396 -85.7444 PRESSAVG: 3420600 -2.46109 -49.6973 -22.7074 -49.6973 -5.20946 -30.6089 -22.7072 -30.6089 -27.3368 GPRESSAVG: 3420600 -2.42925 -49.4807 -23.2831 -49.1967 -5.27608 -30.6997 -21.3509 -31.9622 -27.4016 TIMING: 3420600 CPU: 10864.8, 0.0031606/step Wall: 10864.8, 0.0031606/step, 1.38662 hours remaining, 234.203125 MB of memory in use. ENERGY: 3420600 3953.9438 20444.2500 14443.8654 239.7165 -203250.8748 2349.2591 0.0000 0.0000 52001.7241 -109818.1160 298.8546 -161819.8401 -109456.6018 298.4438 42.3392 67.9180 760084.9081 -11.6691 -11.7023 PRESSURE: 3420800 128.991 83.353 -120.405 83.3526 72.7433 -296.678 -120.405 -296.676 -72.7255 GPRESSURE: 3420800 113.279 63.3672 -151.641 29.4341 81.9804 -202.758 -207.376 -319.024 32.7106 PRESSAVG: 3420800 8.34235 -44.2511 2.53273 -44.2511 -11.1209 -51.1302 2.53272 -51.1302 -1.96657 GPRESSAVG: 3420800 7.48168 -41.4514 3.565 -47.4183 -10.0356 -49.7305 -0.792592 -49.7885 -1.82816 TIMING: 3420800 CPU: 10865.5, 0.00314152/step Wall: 10865.5, 0.00314152/step, 1.37808 hours remaining, 234.203125 MB of memory in use. ENERGY: 3420800 3898.6143 20464.8879 14511.3190 266.2443 -203116.6809 2345.4155 0.0000 0.0000 51903.2202 -109726.9797 298.2885 -161630.2000 -109352.7270 298.6000 43.0030 75.9901 761197.5945 -1.5817 -1.4607 PRESSURE: 3421000 284.799 25.9297 -7.11146 25.9299 124.922 183.36 -7.10966 183.361 65.5072 GPRESSURE: 3421000 287.098 101.555 -122.708 13.0517 195.095 173.85 -24.5352 260.964 69.4292 PRESSAVG: 3421000 -25.1884 -51.0541 -19.494 -51.0541 -3.04776 -53.902 -19.494 -53.902 2.43628 GPRESSAVG: 3421000 -24.196 -54.0726 -19.7018 -48.2312 -3.96679 -54.1583 -17.9689 -55.3301 1.98137 TIMING: 3421000 CPU: 10866.1, 0.00316257/step Wall: 10866.1, 0.00316257/step, 1.38714 hours remaining, 234.203125 MB of memory in use. ENERGY: 3421000 3918.8862 20462.2980 14474.2732 251.5926 -203471.1347 2666.4232 0.0000 0.0000 51988.3947 -109709.2669 298.7780 -161697.6615 -109348.8236 298.8983 158.4094 183.8742 761062.6852 -8.6000 -8.7271 PRESSURE: 3421200 -353.997 -113.863 72.1841 -113.862 -350.946 124.73 72.1841 124.73 53.8155 GPRESSURE: 3421200 -306.112 -97.0366 26.8043 -219.844 -359.226 39.5993 178.35 163.355 120.374 PRESSAVG: 3421200 39.6771 -42.4478 -46.1542 -42.4478 9.74557 -29.85 -46.1542 -29.85 -28.4614 GPRESSAVG: 3421200 40.2224 -40.8543 -46.2171 -44.7723 9.0239 -28.6608 -44.6988 -28.6259 -28.4624 TIMING: 3421200 CPU: 10866.7, 0.00312872/step Wall: 10866.7, 0.00312871/step, 1.37212 hours remaining, 234.203125 MB of memory in use. ENERGY: 3421200 3974.1082 20333.2336 14502.1194 244.6525 -202626.0650 2080.2319 0.0000 0.0000 51818.5981 -109673.1213 297.8022 -161491.7194 -109309.1112 298.5928 -217.0425 -181.6549 760771.9433 6.9871 6.9280 PRESSURE: 3421400 -162.727 -29.4289 0.227883 -29.4292 53.4868 -218.383 0.228454 -218.383 391.028 GPRESSURE: 3421400 -114.757 -39.3636 -104.192 -86.6771 47.5773 -204.482 -161.728 -171.335 440.01 PRESSAVG: 3421400 35.9213 -19.244 -4.63929 -19.2439 -60.2471 -1.00044 -4.63925 -1.00039 14.2727 GPRESSAVG: 3421400 35.3966 -21.6409 -4.32906 -16.3299 -59.3946 -1.02628 -5.26332 -1.57958 14.6757 TIMING: 3421400 CPU: 10867.3, 0.00315913/step Wall: 10867.3, 0.00315913/step, 1.38528 hours remaining, 234.203125 MB of memory in use. ENERGY: 3421400 3905.5560 20355.6013 14463.7604 245.1976 -203104.4088 2391.7920 0.0000 0.0000 52023.4263 -109719.0752 298.9793 -161742.5015 -109362.8267 298.5446 93.9292 124.2768 760750.6625 -3.3511 -3.1074 PRESSURE: 3421600 246.796 54.6394 113.168 54.6383 206.044 -29.2745 113.168 -29.2746 272.192 GPRESSURE: 3421600 242.992 93.8792 209.325 -109.099 179.979 -19.6899 13.3164 -46.4104 395.51 PRESSAVG: 3421600 1.21232 -24.9743 -58.2738 -24.9743 14.8475 -12.397 -58.2738 -12.3969 -12.7514 GPRESSAVG: 3421600 0.894949 -23.5069 -57.2286 -27.6859 14.8072 -13.5815 -57.087 -9.79279 -12.4549 TIMING: 3421600 CPU: 10868, 0.00314605/step Wall: 10868, 0.00314605/step, 1.37937 hours remaining, 234.203125 MB of memory in use. ENERGY: 3421600 3900.3771 20393.9859 14516.9150 250.3175 -203629.1994 2804.8371 0.0000 0.0000 52021.0327 -109741.7343 298.9656 -161762.7669 -109383.5671 298.6874 241.6772 272.8274 761520.3235 1.1028 1.0824 PRESSURE: 3421800 48.7837 -314.856 -45.8707 -314.855 684.34 -121.665 -45.871 -121.665 85.9068 GPRESSURE: 3421800 184.925 -227.941 -25.1582 -259.55 596.44 -124.125 -114.783 -205.631 110.911 PRESSAVG: 3421800 26.6643 -34.3544 -29.0563 -34.3544 -47.9998 -12.3196 -29.0563 -12.3195 -0.898817 GPRESSAVG: 3421800 25.7328 -34.2806 -28.5642 -32.5781 -47.7914 -12.3045 -30.5474 -13.903 -0.246825 TIMING: 3421800 CPU: 10868.6, 0.00313609/step Wall: 10868.6, 0.00313609/step, 1.37483 hours remaining, 234.203125 MB of memory in use. ENERGY: 3421800 3997.9624 20421.0842 14445.5572 229.0113 -203485.6971 2759.3972 0.0000 0.0000 52247.8450 -109384.8397 300.2691 -161632.6847 -109039.1528 298.5635 273.0103 297.4251 761134.8180 -7.4114 -7.4351 PRESSURE: 3422000 249.223 -18.5723 -197.907 -18.5723 -61.0059 380.504 -197.908 380.505 -297.45 GPRESSURE: 3422000 252.605 28.1824 -207.96 1.24502 101.648 400.835 -223.011 306.192 -378.19 PRESSAVG: 3422000 60.0188 -6.47253 -11.6973 -6.47249 -36.6737 -3.61112 -11.6972 -3.61118 12.6178 GPRESSAVG: 3422000 61.0029 -5.82586 -12.9055 -4.72307 -36.767 -3.81896 -11.3312 -3.73128 11.4701 TIMING: 3422000 CPU: 10869.2, 0.00312913/step Wall: 10869.2, 0.00312913/step, 1.3716 hours remaining, 234.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3422000 3999.6130 20538.0084 14391.6254 253.5204 -203110.7591 2628.4233 0.0000 0.0000 52036.1579 -109263.4107 299.0525 -161299.5686 -108907.6208 299.8188 -36.4111 -7.9792 762357.0841 11.9876 11.9020 PRESSURE: 3422200 114.017 83.4677 -67.7426 83.4676 -109.383 -246.717 -67.7422 -246.716 46.819 GPRESSURE: 3422200 105.944 28.5473 -140.07 39.8158 -60.8126 -209.009 39.618 -144.081 75.6585 PRESSAVG: 3422200 81.5063 5.85857 -43.0618 5.85859 -108.071 48.1803 -43.0618 48.1803 -16.2472 GPRESSAVG: 3422200 81.9486 3.33299 -43.6294 3.4465 -108.716 49.5015 -43.122 47.4437 -15.5957 TIMING: 3422200 CPU: 10869.9, 0.00314222/step Wall: 10869.9, 0.00314222/step, 1.37716 hours remaining, 234.203125 MB of memory in use. ENERGY: 3422200 3977.3785 20284.8233 14479.9375 253.9497 -203003.9308 2363.4212 0.0000 0.0000 52072.4638 -109571.9568 299.2612 -161644.4206 -109204.7196 299.4774 17.1507 40.2633 762099.3715 -14.2707 -14.1209 PRESSURE: 3422400 65.3204 80.3223 125.377 80.3235 130.336 -122.383 125.376 -122.384 402.565 GPRESSURE: 3422400 156.561 199.848 236.464 -40.7925 140.315 -144.98 38.7362 -81.03 389.28 PRESSAVG: 3422400 91.75 -11.8033 -3.79599 -11.8032 -54.6296 -4.85366 -3.79598 -4.85369 4.85255 GPRESSAVG: 3422400 92.2611 -11.7965 -2.12692 -11.1179 -55.0376 -7.94196 -4.5569 -2.39306 4.4538 TIMING: 3422400 CPU: 10870.5, 0.00314119/step Wall: 10870.5, 0.00314119/step, 1.37654 hours remaining, 234.203125 MB of memory in use. ENERGY: 3422400 3945.8316 20263.7468 14509.7373 241.8802 -203007.5617 2284.7091 0.0000 0.0000 51836.8552 -109924.8015 297.9071 -161761.6567 -109555.5324 298.7034 199.4072 228.7186 760150.5107 13.9910 13.8925 PRESSURE: 3422600 -168.979 11.4945 78.5859 11.4942 -1.88841 128.062 78.5861 128.061 329.461 GPRESSURE: 3422600 -69.521 71.6364 -19.3721 -28.3961 88.4563 147.517 134.079 47.3532 223.983 PRESSAVG: 3422600 13.2367 -0.413818 13.6626 -0.413822 8.27417 -11.5127 13.6626 -11.5128 -3.8039 GPRESSAVG: 3422600 11.4077 2.331 13.2753 -1.33745 9.93314 -10.3216 14.1385 -13.761 -3.53069 TIMING: 3422600 CPU: 10871.1, 0.00314037/step Wall: 10871.1, 0.00314037/step, 1.37601 hours remaining, 234.203125 MB of memory in use. ENERGY: 3422600 3990.6869 20327.6979 14517.2831 251.7835 -203780.8222 2785.2238 0.0000 0.0000 52110.3579 -109797.7891 299.4789 -161908.1470 -109432.2349 298.5536 52.8644 80.9729 760087.6000 5.9023 5.9367 PRESSURE: 3422800 0.0898815 -123.338 24.5031 -123.338 69.1087 -109.324 24.5025 -109.324 -109.865 GPRESSURE: 3422800 96.3899 -32.6637 47.1122 -27.5194 27.4721 -83.3847 54.3619 -100.755 -82.5711 PRESSAVG: 3422800 49.4825 -47.996 11.3503 -47.996 -54.2494 31.7228 11.3502 31.7227 6.35969 GPRESSAVG: 3422800 49.4035 -47.5586 12.2908 -47.7384 -55.1886 31.7015 12.0139 31.1386 6.85453 TIMING: 3422800 CPU: 10871.7, 0.00311937/step Wall: 10871.7, 0.00311937/step, 1.36663 hours remaining, 234.203125 MB of memory in use. ENERGY: 3422800 3922.2588 20511.8757 14465.1461 231.4062 -203352.4072 2521.2666 0.0000 0.0000 52012.1054 -109688.3484 298.9143 -161700.4538 -109319.1317 298.7933 -13.5555 13.7636 760162.3380 0.5309 0.3565 PRESSURE: 3423000 -18.9505 2.13998 -28.6025 2.13965 -108.103 -164.349 -28.6022 -164.348 40.7029 GPRESSURE: 3423000 0.220027 -5.67666 3.27134 -84.7102 -34.1818 -157.595 -81.1561 -87.1187 40.1958 PRESSAVG: 3423000 30.9676 -40.3322 -56.0967 -40.3321 -27.1815 -4.80671 -56.0967 -4.80673 16.6372 GPRESSAVG: 3423000 31.4405 -42.5607 -56.9355 -39.2932 -27.3927 -4.63625 -58.5469 -3.12677 16.9679 TIMING: 3423000 CPU: 10872.4, 0.00312572/step Wall: 10872.4, 0.00312572/step, 1.36924 hours remaining, 234.203125 MB of memory in use. ENERGY: 3423000 3908.5579 20446.6852 14462.4368 246.6612 -202997.9227 2253.3471 0.0000 0.0000 52105.0313 -109575.2032 299.4483 -161680.2345 -109204.4150 299.1327 -28.7834 2.0780 760072.9568 6.8077 7.0052 PRESSURE: 3423200 136.269 24.4518 169.068 24.4525 464.792 231.018 169.069 231.017 438.53 GPRESSURE: 3423200 173.051 85.4792 192.01 -155.845 427.525 231.982 171.662 96.2727 506.031 PRESSAVG: 3423200 52.5048 -34.2959 -25.1234 -34.2958 -64.942 -4.17069 -25.1234 -4.17074 -27.1295 GPRESSAVG: 3423200 52.0512 -32.3831 -24.0208 -35.5048 -64.9726 -5.05633 -25.3764 -6.05577 -26.5276 TIMING: 3423200 CPU: 10873, 0.0031449/step Wall: 10873, 0.0031449/step, 1.37747 hours remaining, 234.203125 MB of memory in use. ENERGY: 3423200 3944.8838 20441.3520 14427.1930 241.2917 -203270.3603 2171.8423 0.0000 0.0000 52314.0658 -109729.7318 300.6497 -162043.7975 -109358.6734 298.9653 346.5305 368.8687 758085.1253 -13.1889 -13.1497 PRESSURE: 3423400 429.692 91.7822 111.456 91.7818 -23.253 3.28139 111.457 3.28108 344.592 GPRESSURE: 3423400 417.611 77.443 87.804 122.73 50.3441 17.7602 145.553 -12.9591 346.716 PRESSAVG: 3423400 -31.9195 -71.0206 9.72897 -71.0206 -2.46077 -30.9622 9.72897 -30.9623 22.6829 GPRESSAVG: 3423400 -31.5884 -73.4456 8.50941 -70.1715 -1.51835 -30.4596 9.719 -29.4368 21.8759 TIMING: 3423400 CPU: 10873.6, 0.00315518/step Wall: 10873.6, 0.00315518/step, 1.38179 hours remaining, 234.203125 MB of memory in use. ENERGY: 3423400 3995.4785 20466.5099 14422.7195 253.8732 -203316.6855 2584.4346 0.0000 0.0000 52115.9405 -109477.7292 299.5110 -161593.6697 -109122.1953 299.2157 250.3436 271.5568 759937.7737 -3.8991 -3.7436 PRESSURE: 3423600 85.7877 187.809 -121.308 187.809 389.336 -51.4021 -121.308 -51.4005 176.443 GPRESSURE: 3423600 170.618 253.979 -74.6734 327.17 330.439 38.5165 -183.836 12.5471 248.951 PRESSAVG: 3423600 -33.5909 -20.1813 17.4895 -20.1812 56.2845 -1.64154 17.4894 -1.64144 -19.5096 GPRESSAVG: 3423600 -32.489 -18.0184 19.3575 -20.0275 56.3873 -0.163744 18.232 -1.61358 -20.3098 TIMING: 3423600 CPU: 10874.3, 0.00315243/step Wall: 10874.3, 0.00315243/step, 1.38042 hours remaining, 234.203125 MB of memory in use. ENERGY: 3423600 3942.1681 20338.0459 14461.7014 243.0652 -203272.8525 2554.0239 0.0000 0.0000 52137.2064 -109596.6417 299.6332 -161733.8481 -109226.2622 298.9437 217.1888 250.0025 760383.9710 1.0613 1.1962 PRESSURE: 3423800 -269.508 -180.329 4.96584 -180.329 -206.023 197.551 4.96608 197.55 320.065 GPRESSURE: 3423800 -266.509 -214.806 -7.18648 -2.09787 -148.625 246.913 -83.3721 83.7859 350.66 PRESSAVG: 3423800 1.11064 -21.9936 -39.468 -21.9935 -20.3575 -26.5942 -39.468 -26.5943 23.4417 GPRESSAVG: 3423800 0.414991 -22.1802 -40.2022 -23.2321 -21.047 -27.5372 -39.2542 -26.9603 24.6179 TIMING: 3423800 CPU: 10874.9, 0.00314521/step Wall: 10874.9, 0.00314521/step, 1.37708 hours remaining, 234.203125 MB of memory in use. ENERGY: 3423800 3978.9874 20495.5985 14381.2980 239.5825 -203457.9767 2700.9191 0.0000 0.0000 52201.6108 -109459.9803 300.0034 -161661.5912 -109091.6250 299.1536 -51.8218 -21.4917 761454.8454 1.3983 1.3286 PRESSURE: 3424000 -4.58897 -2.36996 -54.3077 -2.37069 -302.655 179.201 -54.3078 179.201 -206.285 GPRESSURE: 3424000 -56.7991 56.7746 -22.8201 -152.459 -209.013 190.631 -28.5741 198.17 -169.859 PRESSAVG: 3424000 30.9871 12.3792 -33.9093 12.3792 -48.8517 -3.87786 -33.9094 -3.87784 33.5876 GPRESSAVG: 3424000 29.3398 11.1538 -33.9658 14.018 -47.3274 -3.04779 -34.8563 -2.68906 34.147 TIMING: 3424000 CPU: 10875.5, 0.00313258/step Wall: 10875.5, 0.00313258/step, 1.37137 hours remaining, 234.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3424000 3979.8617 20658.2153 14522.2726 247.6796 -203507.6474 2560.6187 0.0000 0.0000 52159.4374 -109379.5620 299.7610 -161538.9994 -109028.3178 299.8025 -171.1765 -145.2235 762272.7492 5.2410 5.3865 PRESSURE: 3424200 -326.798 276.853 216.739 276.853 -54.4387 159.488 216.738 159.487 -261.536 GPRESSURE: 3424200 -200.157 222.72 173.056 208.237 -54.5406 241.616 152.946 211.926 -291.293 PRESSAVG: 3424200 33.0924 -41.736 -9.35936 -41.7359 -23.9671 -26.7205 -9.35941 -26.7204 -11.1429 GPRESSAVG: 3424200 35.3109 -41.5461 -10.0447 -42.1482 -25.1438 -26.0091 -9.97617 -27.3563 -11.8944 TIMING: 3424200 CPU: 10876.1, 0.00314414/step Wall: 10876.1, 0.00314414/step, 1.37626 hours remaining, 234.203125 MB of memory in use. ENERGY: 3424200 4076.1641 20445.3587 14500.6717 262.8252 -203289.2768 2522.8069 0.0000 0.0000 52128.4320 -109353.0182 299.5828 -161481.4502 -108986.0480 299.4093 -214.2574 -181.9968 762455.0654 -0.6726 -0.5758 LDB: ============= START OF LOAD BALANCING ============== 10888.6 LDB: ============== END OF LOAD BALANCING =============== 10888.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10888.6 LDB: ============= START OF LOAD BALANCING ============== 10888.9 LDB: Largest compute 7070 load 0.030882 is 15.8% of average load 0.195634 LDB: Average compute 0.004384 is 2.2% of average load 0.195634 LDB: TIME 10888.9 LOAD: AVG 0.195634 MAX 0.215271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.684 MB LDB: TIME 10888.9 LOAD: AVG 0.195634 MAX 0.215271 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: TIME 10888.9 LOAD: AVG 0.195634 MAX 0.215271 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.891 MB LDB: ============== END OF LOAD BALANCING =============== 10888.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10888.9 PRESSURE: 3424400 -449.968 -25.4374 -138.33 -25.4378 -537.249 -65.5349 -138.33 -65.5351 -272.917 GPRESSURE: 3424400 -464.846 -85.1935 -141.723 -53.2587 -453.405 -45.7035 -139.854 -7.76679 -226.23 PRESSAVG: 3424400 31.5176 -28.9502 13.3084 -28.9501 -27.1655 -9.0359 13.3084 -9.03587 11.4435 GPRESSAVG: 3424400 31.2477 -28.7467 15.4936 -29.882 -26.5754 -8.47166 13.2908 -9.60658 11.0549 TIMING: 3424400 CPU: 10876.8, 0.0032215/step Wall: 10876.8, 0.0032215/step, 1.40994 hours remaining, 234.644531 MB of memory in use. ENERGY: 3424400 3974.2878 20464.5093 14484.9554 244.9269 -202951.9955 2227.8901 0.0000 0.0000 52181.6405 -109373.7855 299.8886 -161555.4260 -109012.0150 299.1537 -420.0447 -381.4936 763544.8153 5.2652 5.2424 PRESSURE: 3424600 324.639 -53.0584 52.4805 -53.058 29.4486 -131.368 52.4801 -131.368 256.032 GPRESSURE: 3424600 349.24 -90.1899 -6.91861 -37.6609 76.2994 -147.889 76.2833 -107.923 271.416 PRESSAVG: 3424600 35.9991 -12.7028 -55.849 -12.7028 -19.7247 -2.54047 -55.849 -2.54035 12.0981 GPRESSAVG: 3424600 35.7741 -10.6483 -59.3806 -11.8183 -20.0226 -3.71616 -54.8558 -0.870121 12.7799 TIMING: 3424600 CPU: 10877.4, 0.00315541/step Wall: 10877.4, 0.00315541/step, 1.38084 hours remaining, 234.847656 MB of memory in use. ENERGY: 3424600 3903.2080 20571.9198 14504.7364 255.9157 -203362.7520 2663.9512 0.0000 0.0000 52043.0151 -109420.0058 299.0919 -161463.0208 -109058.3622 299.8278 203.3730 232.3187 760642.6145 9.4575 9.5104 PRESSURE: 3424800 221.928 -189.326 -75.4171 -189.326 -248.999 -14.7381 -75.418 -14.7372 -269.316 GPRESSURE: 3424800 216.603 -61.1749 -63.3745 -201.464 -209.047 19.3801 10.2355 66.2412 -222.398 PRESSAVG: 3424800 59.6454 -34.7416 -4.60134 -34.7415 -1.47827 27.6457 -4.60136 27.6457 -5.25069 GPRESSAVG: 3424800 59.1036 -35.6105 -2.04067 -35.257 -1.97115 28.6361 -4.09248 25.2012 -4.40423 TIMING: 3424800 CPU: 10878, 0.00315561/step Wall: 10878, 0.00315561/step, 1.38076 hours remaining, 234.847656 MB of memory in use. ENERGY: 3424800 3994.5713 20488.4670 14509.9467 236.5255 -203216.2899 2447.6125 0.0000 0.0000 52176.3062 -109362.8606 299.8579 -161539.1669 -108994.2572 299.0850 -98.7955 -71.6140 761363.0480 17.6388 17.5761 PRESSURE: 3425000 42.145 -83.8326 -89.5535 -83.832 -354.508 -19.0788 -89.5534 -19.0792 138.32 GPRESSURE: 3425000 73.468 -29.4089 -36.696 -29.697 -210.694 -73.0201 -110.321 -35.5209 34.6951 PRESSAVG: 3425000 28.5255 -21.5644 -30.427 -21.5644 -59.9428 2.06578 -30.427 2.06565 -6.82425 GPRESSAVG: 3425000 30.1429 -22.5619 -31.6714 -20.6938 -59.6974 -0.160596 -31.2612 3.53109 -8.95754 TIMING: 3425000 CPU: 10878.7, 0.00313413/step Wall: 10878.7, 0.00313413/step, 1.37118 hours remaining, 234.847656 MB of memory in use. ENERGY: 3425000 3957.4344 20518.1243 14533.5947 249.5737 -203481.7054 2589.8036 0.0000 0.0000 52104.7812 -109528.3935 299.4469 -161633.1747 -109163.3120 299.2317 -58.0142 -34.1769 762161.7856 -12.7472 -12.8373 PRESSURE: 3425200 34.2795 -120.247 -43.1542 -120.246 3.24139 209.327 -43.1543 209.327 -488.651 GPRESSURE: 3425200 25.2026 -27.1607 -56.6474 -158.771 21.3328 276.06 87.3035 161.693 -399.835 PRESSAVG: 3425200 62.1268 -69.8614 -37.3329 -69.8613 -24.4087 -8.30413 -37.333 -8.30416 -16.3978 GPRESSAVG: 3425200 60.8582 -72.109 -37.6038 -68.6309 -24.2079 -8.70494 -34.8041 -7.76971 -14.9012 TIMING: 3425200 CPU: 10879.3, 0.00314388/step Wall: 10879.3, 0.00314388/step, 1.37527 hours remaining, 234.847656 MB of memory in use. ENERGY: 3425200 4017.4576 20507.8773 14461.7719 240.6696 -203382.0089 2603.3918 0.0000 0.0000 52024.8314 -109526.0094 298.9874 -161550.8408 -109162.2590 299.1694 -150.3768 -117.7667 760322.9322 7.1068 7.2497 PRESSURE: 3425400 -36.301 130.593 123.858 130.594 -182.456 -265.046 123.858 -265.046 0.1005 GPRESSURE: 3425400 -63.9062 31.4691 114.173 32.6941 -71.8269 -244.859 82.9988 -332.039 1.96063 PRESSAVG: 3425400 -0.0748116 -49.8234 72.5949 -49.8235 -25.6652 -58.4478 72.5949 -58.4478 -22.2073 GPRESSAVG: 3425400 0.149555 -47.1762 73.8711 -51.6021 -25.9081 -56.2351 68.6042 -58.7387 -22.5714 TIMING: 3425400 CPU: 10879.9, 0.00313644/step Wall: 10879.9, 0.00313644/step, 1.37184 hours remaining, 234.847656 MB of memory in use. ENERGY: 3425400 3985.0910 20712.1928 14441.4140 253.3131 -203458.3093 2421.6299 0.0000 0.0000 52292.9811 -109351.6874 300.5285 -161644.6684 -108979.0589 299.4262 -72.8856 -44.5908 761619.3143 -15.9824 -16.1100 PRESSURE: 3425600 -52.7568 12.7182 144.058 12.7191 52.9023 -58.4694 144.058 -58.4702 215.783 GPRESSURE: 3425600 83.1218 112.964 107.248 56.2963 40.2017 -29.3355 122.738 -115.658 164.205 PRESSAVG: 3425600 31.8146 -19.8729 55.1409 -19.8728 -1.49131 -16.0022 55.141 -16.0022 7.44647 GPRESSAVG: 3425600 32.2527 -20.6892 54.3744 -18.4564 -1.12132 -17.5261 55.718 -15.7672 6.83296 TIMING: 3425600 CPU: 10880.6, 0.00314393/step Wall: 10880.6, 0.00314393/step, 1.37494 hours remaining, 234.847656 MB of memory in use. ENERGY: 3425600 3976.0197 20560.7277 14537.6424 259.0446 -203362.7030 2432.2960 0.0000 0.0000 52268.6396 -109328.3331 300.3886 -161596.9727 -108955.6353 299.6568 71.9761 95.8429 760297.2045 12.5899 12.6548 PRESSURE: 3425800 81.3251 -130.01 93.725 -130.01 75.286 28.6895 93.7248 28.6915 10.1434 GPRESSURE: 3425800 152.425 -110.406 125.469 -17.6232 -27.2525 -15.1718 151.523 56.4831 130.662 PRESSAVG: 3425800 29.0627 -22.8422 6.00779 -22.8422 -0.210721 -15.7205 6.00774 -15.7204 -4.86454 GPRESSAVG: 3425800 28.7547 -22.8896 7.32508 -24.7611 -1.28222 -16.1693 7.59719 -15.4082 -3.21239 TIMING: 3425800 CPU: 10881.2, 0.00314968/step Wall: 10881.2, 0.00314968/step, 1.37728 hours remaining, 234.847656 MB of memory in use. ENERGY: 3425800 3947.2089 20639.8917 14501.5072 249.1059 -203459.1295 2560.0271 0.0000 0.0000 52165.6506 -109395.7381 299.7967 -161561.3886 -109035.9288 299.4881 55.5848 85.2781 760625.0107 7.9958 8.0867 PRESSURE: 3426000 65.553 167.996 -190.065 167.997 252.894 122.481 -190.065 122.481 -479.1 GPRESSURE: 3426000 102.125 149.488 -222.655 235.505 274.266 140.276 -241.274 11.8491 -452.705 PRESSAVG: 3426000 41.795 9.19722 14.2676 9.1972 -31.0829 11.2176 14.2675 11.2175 13.5646 GPRESSAVG: 3426000 41.6 10.0965 12.5065 11.3563 -31.0939 11.9716 16.6699 9.33759 13.5742 TIMING: 3426000 CPU: 10881.8, 0.0031315/step Wall: 10881.8, 0.0031315/step, 1.36916 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3426000 3998.1589 20590.9315 14532.3501 253.4304 -203497.7160 2582.0214 0.0000 0.0000 52112.6379 -109428.1858 299.4920 -161540.8237 -109062.7106 299.6017 -53.5509 -25.4380 758323.9382 8.0922 8.0268 PRESSURE: 3426200 344.496 -107.676 53.4247 -107.676 231.514 5.09924 53.4249 5.09937 -177.94 GPRESSURE: 3426200 338.878 -73.1776 91.7914 -33.9188 317.474 69.0459 110.311 169.704 -175.04 PRESSAVG: 3426200 23.9681 7.28202 -16.8432 7.28203 -16.491 -35.5887 -16.8432 -35.5888 12.7169 GPRESSAVG: 3426200 23.7834 7.54648 -14.3078 5.56354 -15.1293 -35.1268 -20.4022 -32.8296 11.757 TIMING: 3426200 CPU: 10882.4, 0.00313282/step Wall: 10882.4, 0.00313282/step, 1.36956 hours remaining, 234.847656 MB of memory in use. ENERGY: 3426200 3945.2878 20563.0513 14401.1535 247.5791 -203627.3108 2585.7009 0.0000 0.0000 52371.4481 -109513.0902 300.9794 -161884.5383 -109140.5445 299.4063 132.6901 160.4373 759795.1652 6.7314 6.8037 PRESSURE: 3426400 6.82911 -94.5809 -196.074 -94.582 -237.822 71.9798 -196.073 71.9794 -137.754 GPRESSURE: 3426400 34.249 -24.3111 -232.038 41.2294 -276.458 137.61 -106.256 -18.8124 -30.1701 PRESSAVG: 3426400 17.2718 -37.0353 27.401 -37.0354 -64.6878 -74.9334 27.4009 -74.9334 -38.4325 GPRESSAVG: 3426400 18.1822 -37.604 24.5443 -35.3656 -64.4894 -74.96 27.605 -77.3929 -39.0298 TIMING: 3426400 CPU: 10883.1, 0.00312955/step Wall: 10883.1, 0.00312955/step, 1.36796 hours remaining, 234.847656 MB of memory in use. ENERGY: 3426400 4021.2220 20599.9304 14464.3138 256.6951 -203459.0550 2467.6254 0.0000 0.0000 52175.4158 -109473.8526 299.8528 -161649.2684 -109114.9667 299.3597 -122.9155 -90.7931 761232.7628 -28.6162 -28.4457 PRESSURE: 3426600 -3.63793 -99.2406 -137.05 -99.2404 -285.845 70.1412 -137.05 70.1401 -207.962 GPRESSURE: 3426600 -20.7707 -85.2184 -84.4727 11.8537 -268.065 27.0331 -21.9484 162.041 -132.012 PRESSAVG: 3426600 77.9702 -23.0697 -50.8036 -23.0697 -36.776 -27.9252 -50.8036 -27.9252 -5.80232 GPRESSAVG: 3426600 76.8901 -23.0604 -49.9094 -22.8659 -36.485 -28.7256 -50.1048 -26.7809 -5.35248 TIMING: 3426600 CPU: 10883.7, 0.00312415/step Wall: 10883.7, 0.00312415/step, 1.36543 hours remaining, 234.847656 MB of memory in use. ENERGY: 3426600 4074.3931 20503.9253 14446.3062 247.4477 -203311.7231 2453.5894 0.0000 0.0000 51982.9368 -109603.1246 298.7467 -161586.0613 -109240.4613 299.2852 -165.8151 -140.2827 761471.0930 11.7973 11.6842 PRESSURE: 3426800 98.4776 93.787 -112.079 93.787 -15.2629 -136.915 -112.079 -136.915 -482.92 GPRESSURE: 3426800 107.734 62.3574 -37.7102 212.232 44.5029 -182.269 -100.715 -88.001 -469.063 PRESSAVG: 3426800 74.5249 -28.7505 -13.995 -28.7506 -49.257 -17.1514 -13.9951 -17.1514 2.74977 GPRESSAVG: 3426800 74.5434 -27.1823 -12.2191 -31.3811 -49.6839 -17.4289 -14.7748 -17.4066 3.00613 TIMING: 3426800 CPU: 10884.3, 0.00314608/step Wall: 10884.3, 0.00314608/step, 1.37484 hours remaining, 234.847656 MB of memory in use. ENERGY: 3426800 3916.7009 20765.2672 14434.7202 260.4431 -203274.1107 2270.7490 0.0000 0.0000 52113.2686 -109512.9618 299.4957 -161626.2303 -109137.6308 299.2119 -133.2351 -105.6088 761860.5376 9.3392 9.2886 PRESSURE: 3427000 -288.32 139.685 266.018 139.685 -9.99366 234.255 266.018 234.255 86.3734 GPRESSURE: 3427000 -286.86 159.646 311.918 156.383 -10.2323 275.18 227.618 127.747 170.854 PRESSAVG: 3427000 41.4161 -20.4139 3.57681 -20.4139 -38.1139 -22.1497 3.57679 -22.1496 -11.0416 GPRESSAVG: 3427000 41.6275 -23.0526 2.03494 -17.7027 -37.8958 -22.4507 5.22077 -21.1534 -11.037 TIMING: 3427000 CPU: 10884.9, 0.00314749/step Wall: 10884.9, 0.00314749/step, 1.37528 hours remaining, 234.847656 MB of memory in use. ENERGY: 3427000 4033.8050 20538.0480 14481.7962 239.4059 -203685.9888 2608.3170 0.0000 0.0000 52242.7579 -109541.8589 300.2398 -161784.6168 -109176.3735 299.1191 -70.6469 -42.0796 761872.5914 -2.5798 -2.4351 PRESSURE: 3427200 -76.2422 -25.2125 17.694 -25.2123 -107.137 8.00342 17.6942 8.00199 -38.7197 GPRESSURE: 3427200 -69.1269 -121.734 -8.23355 43.8712 -77.695 3.29623 27.2071 3.63527 16.7395 PRESSAVG: 3427200 -102.902 -37.7516 -21.0623 -37.7516 75.7186 -44.1439 -21.0623 -44.144 8.75211 GPRESSAVG: 3427200 -102.867 -38.0773 -21.3933 -38.7196 76.2529 -42.7933 -21.7276 -46.0045 8.53635 TIMING: 3427200 CPU: 10885.6, 0.00312486/step Wall: 10885.6, 0.00312486/step, 1.36522 hours remaining, 234.847656 MB of memory in use. ENERGY: 3427200 4005.2607 20656.6880 14513.0405 252.7887 -203291.3930 2252.7451 0.0000 0.0000 52035.5386 -109575.3315 299.0490 -161610.8701 -109216.3512 298.8079 -74.0331 -43.3608 761839.3033 -6.1437 -6.0260 PRESSURE: 3427400 -175.482 114.402 -173.874 114.402 -195.611 69.2653 -173.875 69.2656 244.705 GPRESSURE: 3427400 -69.8584 130.647 -154.408 129.164 -192.264 97.6111 -120.449 -3.96254 223.396 PRESSAVG: 3427400 27.1695 15.9504 -22.2269 15.9504 8.75413 18.1751 -22.2268 18.1752 -3.05746 GPRESSAVG: 3427400 29.333 16.4186 -21.9075 16.0801 7.38528 17.965 -23.6537 18.7306 -4.22131 TIMING: 3427400 CPU: 10886.2, 0.00314833/step Wall: 10886.2, 0.00314833/step, 1.3753 hours remaining, 234.847656 MB of memory in use. ENERGY: 3427400 4092.2821 20572.1372 14576.5261 249.5581 -203249.3809 2468.8132 0.0000 0.0000 52076.7000 -109213.3643 299.2855 -161290.0643 -108860.5501 299.8828 -42.1291 -12.9087 761975.2561 10.9554 10.8323 PRESSURE: 3427600 -61.6165 41.8668 -79.7496 41.8677 -25.5668 -24.2347 -79.7496 -24.2355 -17.2701 GPRESSURE: 3427600 -68.8092 140.162 -30.9324 21.4186 94.6748 -81.871 -1.35284 117.993 -39.3985 PRESSAVG: 3427600 21.7396 47.9792 -42.2199 47.9792 23.3134 10.3969 -42.2199 10.3969 -3.67333 GPRESSAVG: 3427600 20.2637 49.2932 -41.0293 46.9433 23.6467 10.7294 -40.8349 9.09065 -2.09223 TIMING: 3427600 CPU: 10886.8, 0.00312542/step Wall: 10886.8, 0.00312542/step, 1.36511 hours remaining, 234.847656 MB of memory in use. ENERGY: 3427600 3919.6792 20741.9827 14529.3932 245.5384 -203440.1862 2692.2158 0.0000 0.0000 51873.8592 -109437.5178 298.1198 -161311.3770 -109077.6838 299.6765 -34.8178 -4.5110 763134.1248 13.7932 13.9394 PRESSURE: 3427800 -92.3074 185.246 228.637 185.245 266.841 -103.418 228.636 -103.416 -210.411 GPRESSURE: 3427800 -99.5139 167.811 134.293 214.919 348.737 -57.4318 253.92 -84.4244 -184.57 PRESSAVG: 3427800 -95.9117 -4.44077 31.5737 -4.44078 59.5465 24.5532 31.5736 24.5532 -1.48425 GPRESSAVG: 3427800 -95.482 -6.92472 29.8174 -2.91696 59.3373 23.4238 33.0945 25.0368 -1.6751 TIMING: 3427800 CPU: 10887.5, 0.00312993/step Wall: 10887.5, 0.00312992/step, 1.36691 hours remaining, 234.847656 MB of memory in use. ENERGY: 3427800 3969.3080 20523.3224 14494.3181 251.3190 -203494.5277 2574.3154 0.0000 0.0000 52104.1630 -109577.7818 299.4433 -161681.9447 -109207.8166 298.8630 -11.9590 21.5513 762315.5838 -12.6165 -12.6066 PRESSURE: 3428000 463.613 57.0307 29.5592 57.0308 136.879 28.7912 29.5593 28.7912 381.266 GPRESSURE: 3428000 412.695 43.6115 13.6389 -0.47132 204.248 -27.0825 98.4852 102.777 443.65 PRESSAVG: 3428000 -8.54602 52.1744 -47.9356 52.1744 54.7003 43.8692 -47.9356 43.8692 17.0658 GPRESSAVG: 3428000 -9.7198 53.6598 -46.2966 52.3678 55.1338 44.5283 -49.3365 42.7131 17.9681 TIMING: 3428000 CPU: 10888.1, 0.00312279/step Wall: 10888.1, 0.00312279/step, 1.36362 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3428000 3904.4895 20586.3420 14457.9656 262.3222 -203814.5569 3007.3649 0.0000 0.0000 51813.1440 -109782.9287 297.7709 -161596.0727 -109419.5062 298.7465 327.2529 353.5308 761978.0368 21.0733 21.1274 PRESSURE: 3428200 -326.858 52.0037 -137.66 52.0042 -74.0981 -72.1589 -137.66 -72.1589 40.109 GPRESSURE: 3428200 -294.17 53.2268 -246.406 88.7468 -43.9248 -103.358 -1.39842 28.8976 90.9768 PRESSAVG: 3428200 -0.0495532 -4.10123 -7.30515 -4.10122 2.46807 -0.568655 -7.30518 -0.568684 15.2878 GPRESSAVG: 3428200 0.719679 -4.11752 -7.78238 -4.75724 2.83308 -1.2955 -8.62041 0.753235 13.7884 TIMING: 3428200 CPU: 10888.7, 0.00312073/step Wall: 10888.7, 0.00312074/step, 1.36255 hours remaining, 234.847656 MB of memory in use. ENERGY: 3428200 3903.5345 20587.2486 14608.4887 252.2770 -203417.9509 2566.2318 0.0000 0.0000 51632.8532 -109867.3171 296.7347 -161500.1704 -109506.2184 298.6156 -120.2824 -82.3727 761988.4626 5.9021 5.7804 LDB: ============= START OF LOAD BALANCING ============== 10901.1 LDB: ============== END OF LOAD BALANCING =============== 10901.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10901.1 LDB: ============= START OF LOAD BALANCING ============== 10901.4 LDB: Largest compute 7052 load 0.030120 is 15.4% of average load 0.195622 LDB: Average compute 0.004359 is 2.2% of average load 0.195622 LDB: TIME 10901.4 LOAD: AVG 0.195622 MAX 0.214891 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.781 MB LDB: TIME 10901.4 LOAD: AVG 0.195622 MAX 0.214891 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.781 MB LDB: TIME 10901.4 LOAD: AVG 0.195622 MAX 0.214891 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.781 MB LDB: ============== END OF LOAD BALANCING =============== 10901.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10901.4 PRESSURE: 3428400 -69.1119 -46.2494 -167.59 -46.2507 -232.009 -19.7292 -167.589 -19.7299 -219.893 GPRESSURE: 3428400 51.4513 -106.32 -123.689 -66.9414 -264.483 -15.4205 -128.328 17.9097 -224.849 PRESSAVG: 3428400 48.5652 -34.8701 -9.14001 -34.8701 -54.666 -19.1199 -9.14005 -19.1198 1.78011 GPRESSAVG: 3428400 50.1509 -35.1745 -9.25272 -33.4117 -56.5362 -16.5746 -7.24494 -20.9301 1.50371 TIMING: 3428400 CPU: 10889.3, 0.00319166/step Wall: 10889.3, 0.00319166/step, 1.39334 hours remaining, 235.472656 MB of memory in use. ENERGY: 3428400 4028.1857 20512.9915 14445.6042 275.1899 -203154.1151 2500.2044 0.0000 0.0000 51540.3158 -109851.6235 296.2029 -161391.9394 -109489.3654 298.0002 -173.6715 -145.9605 762256.0451 -1.4402 -1.6272 PRESSURE: 3428600 -105.543 -28.3504 -106.891 -28.3505 -366.388 -128.016 -106.892 -128.016 374.637 GPRESSURE: 3428600 -119.497 -66.9135 -239.515 17.5495 -279.028 -156.332 90.099 24.3019 361.259 PRESSAVG: 3428600 20.7885 40.2463 -19.484 40.2463 -45.9571 23.6701 -19.484 23.67 0.854101 GPRESSAVG: 3428600 20.116 40.1669 -20.1146 37.8364 -44.5129 20.6941 -19.9436 28.0786 0.379827 TIMING: 3428600 CPU: 10890, 0.00312174/step Wall: 10890, 0.00312174/step, 1.36264 hours remaining, 235.929688 MB of memory in use. ENERGY: 3428600 4022.7334 20524.7751 14551.1871 233.2665 -203722.1276 2498.6757 0.0000 0.0000 52060.1857 -109831.3041 299.1906 -161891.4898 -109478.1888 298.3149 -32.4313 -12.4223 759647.7573 -8.1048 -8.0057 PRESSURE: 3428800 47.3288 18.0667 357.071 18.0673 -89.9517 21.3011 357.072 21.3 23.671 GPRESSURE: 3428800 82.0143 -14.1346 419.461 -2.88095 -50.5422 -94.7647 204.963 -120.679 39.3557 PRESSAVG: 3428800 74.0668 -15.1332 57.0272 -15.1332 -28.0502 29.4188 57.0272 29.4188 0.742236 GPRESSAVG: 3428800 73.7548 -14.6504 58.0828 -15.9897 -29.03 30.6378 55.7489 25.5881 0.841515 TIMING: 3428800 CPU: 10890.6, 0.00312513/step Wall: 10890.6, 0.00312513/step, 1.36395 hours remaining, 235.929688 MB of memory in use. ENERGY: 3428800 3927.0926 20270.3217 14551.2204 276.2856 -203530.8927 2713.6829 0.0000 0.0000 52197.7111 -109594.5783 299.9810 -161792.2894 -109232.5231 298.9883 -6.3173 23.6093 761189.2435 15.5863 15.1888 PRESSURE: 3429000 -217.002 88.1857 0.142673 88.1869 -215.82 -2.8609 0.143158 -2.86165 -120.28 GPRESSURE: 3429000 -149.335 83.049 -38.4305 126.683 -189.302 -41.0307 155.038 61.9397 -140.677 PRESSAVG: 3429000 77.8456 -2.4445 44.8994 -2.44454 -67.8357 23.7525 44.8994 23.7525 -13.4786 GPRESSAVG: 3429000 77.7113 -3.41451 44.5118 -1.98229 -68.0475 23.0463 46.2423 24.7242 -12.8891 TIMING: 3429000 CPU: 10891.2, 0.00311892/step Wall: 10891.2, 0.00311892/step, 1.36106 hours remaining, 235.929688 MB of memory in use. ENERGY: 3429000 3961.3612 20429.0090 14456.4869 253.1027 -203688.5212 2746.4728 0.0000 0.0000 52165.0509 -109677.0378 299.7933 -161842.0887 -109309.1814 298.7833 -184.3675 -159.7713 760807.9819 -1.1562 -1.0751 PRESSURE: 3429200 166.605 -78.3684 209.369 -78.3683 54.824 -3.58631 209.369 -3.58659 -8.68974 GPRESSURE: 3429200 100.824 -56.5167 212.793 -72.1333 144.131 -57.1919 205.055 6.39006 60.2053 PRESSAVG: 3429200 -3.77469 -16.2459 11.7957 -16.2459 5.19741 11.3103 11.7957 11.3102 -0.0359129 GPRESSAVG: 3429200 -4.96238 -16.7128 12.3359 -15.4249 6.22954 13.3906 10.0711 11.337 -0.499523 TIMING: 3429200 CPU: 10891.8, 0.0031148/step Wall: 10891.8, 0.0031148/step, 1.35909 hours remaining, 235.929688 MB of memory in use. ENERGY: 3429200 4024.7143 20509.0472 14439.1595 259.7902 -203624.7734 2784.6465 0.0000 0.0000 52197.7678 -109409.6479 299.9813 -161607.4157 -109051.7048 298.9190 70.9132 101.7202 761051.4468 0.4623 0.2559 PRESSURE: 3429400 160.243 -87.6961 -64.567 -87.6958 302.53 42.7337 -64.5664 42.734 -9.33507 GPRESSURE: 3429400 221.319 -49.8742 -3.1104 5.63101 254.362 13.3591 18.5247 123.147 71.8791 PRESSAVG: 3429400 24.5527 -12.422 55.2452 -12.4219 -38.496 -25.2449 55.2451 -25.2449 -12.9168 GPRESSAVG: 3429400 26.2964 -12.9384 54.0816 -12.4535 -40.607 -26.6567 58.5408 -26.8182 -12.69 TIMING: 3429400 CPU: 10892.5, 0.0031185/step Wall: 10892.5, 0.0031185/step, 1.36053 hours remaining, 235.929688 MB of memory in use. ENERGY: 3429400 3988.4437 20524.8760 14497.2460 269.6130 -203282.6229 2558.7817 0.0000 0.0000 51967.4011 -109476.2614 298.6574 -161443.6625 -109116.3745 299.3582 151.1458 182.5198 760104.3032 -8.9534 -9.0002 PRESSURE: 3429600 -389.113 -18.8559 160.335 -18.855 139.512 26.2417 160.335 26.2407 231.741 GPRESSURE: 3429600 -316.822 13.8097 68.7983 31.763 175.396 7.10377 104.957 15.5605 185.353 PRESSAVG: 3429600 54.4732 -3.24378 65.9877 -3.24371 -70.4035 -5.00152 65.9878 -5.00161 -7.1386 GPRESSAVG: 3429600 53.9241 -3.00112 65.6888 -2.94948 -68.8063 -6.24616 63.2026 -2.68286 -8.21136 TIMING: 3429600 CPU: 10893.1, 0.0031292/step Wall: 10893.1, 0.0031292/step, 1.36503 hours remaining, 235.929688 MB of memory in use. ENERGY: 3429600 3897.2329 20495.9795 14498.2764 247.5914 -203802.3736 2926.2002 0.0000 0.0000 52211.0929 -109526.0002 300.0579 -161737.0931 -109160.7109 299.2717 -5.9536 14.6424 762428.9364 -7.6896 -7.6979 PRESSURE: 3429800 16.9204 81.0397 94.4762 81.0395 -221.641 175.269 94.476 175.27 31.6742 GPRESSURE: 3429800 -0.598936 118.973 81.6165 29.0504 -86.8821 172.685 202.72 116.242 -18.6638 PRESSAVG: 3429800 -6.22385 9.28771 1.31425 9.28767 -32.8806 26.5409 1.31423 26.5409 32.7199 GPRESSAVG: 3429800 -6.42499 9.73309 2.23137 7.49269 -33.5345 27.1503 2.98846 23.1051 32.8202 TIMING: 3429800 CPU: 10893.7, 0.00312283/step Wall: 10893.7, 0.00312283/step, 1.36208 hours remaining, 235.929688 MB of memory in use. ENERGY: 3429800 3875.1380 20618.6123 14568.8373 248.0048 -203410.3694 2676.9896 0.0000 0.0000 51885.7369 -109537.0504 298.1880 -161422.7873 -109186.2228 298.9860 -57.6822 -35.3816 763049.2849 -2.1282 -2.3798 PRESSURE: 3430000 -295.326 199.516 -283.699 199.516 -129.513 222.055 -283.698 222.056 -453.422 GPRESSURE: 3430000 -205.065 78.0358 -312.015 152.019 -121.101 295.708 -225.347 146.29 -466.682 PRESSAVG: 3430000 26.5524 -34.084 19.0772 -34.084 -18.0993 9.9181 19.0772 9.91808 -5.85656 GPRESSAVG: 3430000 25.939 -35.3184 18.2794 -33.0237 -18.616 10.4654 18.5453 10.716 -4.47365 TIMING: 3430000 CPU: 10894.3, 0.00313354/step Wall: 10894.3, 0.00313354/step, 1.36657 hours remaining, 235.929688 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: 3430000 3975.9516 20493.1391 14511.8421 267.7962 -203303.6222 2459.9820 0.0000 0.0000 51997.9408 -109596.9706 298.8329 -161594.9113 -109241.4594 298.4492 -292.7536 -264.2824 762885.7238 0.8655 0.9498 PRESSURE: 3430200 326.74 89.6335 -79.4237 89.6344 69.2415 -103.878 -79.4241 -103.879 132.327 GPRESSURE: 3430200 313.82 103.092 7.99843 100.6 96.7621 -87.6761 -80.7393 -170.543 184.081 PRESSAVG: 3430200 -10.0487 -10.8057 -35.7073 -10.8057 1.75378 -22.2653 -35.7073 -22.2653 -10.8243 GPRESSAVG: 3430200 -10.042 -9.02968 -35.3624 -9.76544 3.59527 -22.6581 -34.8306 -21.62 -12.6775 TIMING: 3430200 CPU: 10895, 0.00313015/step Wall: 10895, 0.00313015/step, 1.36492 hours remaining, 235.929688 MB of memory in use. ENERGY: 3430200 3981.1362 20342.0705 14543.9582 267.7851 -203310.8782 2790.1130 0.0000 0.0000 51784.4371 -109601.3780 297.6059 -161385.8151 -109241.8082 298.2888 176.1029 198.2208 761480.8941 -6.3731 -6.3747 PRESSURE: 3430400 72.3722 -67.1875 -196.218 -67.1887 -44.0201 73.5711 -196.217 73.5707 304.358 GPRESSURE: 3430400 127.887 -49.8576 -89.0543 -59.7435 -47.2486 74.8853 -238.987 31.0348 307.171 PRESSAVG: 3430400 45.5683 15.2834 -25.7971 15.2835 -37.9431 22.2323 -25.7971 22.2324 -2.95084 GPRESSAVG: 3430400 45.8318 16.098 -26.3016 14.9815 -38.716 20.7677 -28.3992 23.8582 -2.33721 TIMING: 3430400 CPU: 10895.6, 0.00313994/step Wall: 10895.6, 0.00313994/step, 1.36901 hours remaining, 235.929688 MB of memory in use. ENERGY: 3430400 3962.0856 20555.9778 14522.4353 244.9527 -203449.6300 2594.1386 0.0000 0.0000 52214.8521 -109355.1880 300.0795 -161570.0401 -109002.3056 298.5837 110.9033 129.2699 762431.5264 1.5581 1.5929 PRESSURE: 3430600 183.467 -38.1825 48.7437 -38.1819 110.297 -185.587 48.7432 -185.587 -71.4028 GPRESSURE: 3430600 222.129 -64.8981 32.9626 -13.7115 202.516 -178.491 -71.3707 -66.5948 -90.2472 PRESSAVG: 3430600 11.6534 -23.4947 53.9614 -23.4947 31.0684 -60.4152 53.9615 -60.4152 -33.504 GPRESSAVG: 3430600 11.4028 -21.9297 54.6373 -26.363 31.2371 -58.7394 52.8215 -60.1173 -33.0317 TIMING: 3430600 CPU: 10896.2, 0.00313259/step Wall: 10896.2, 0.00313258/step, 1.36563 hours remaining, 235.929688 MB of memory in use. ENERGY: 3430600 4037.0461 20463.8884 14529.1155 228.2478 -203422.2476 2869.5878 0.0000 0.0000 52164.5847 -109129.7774 299.7906 -161294.3621 -108765.0115 299.1874 74.1206 111.4658 762956.7062 3.0726 3.2027 PRESSURE: 3430800 -0.991993 77.6808 63.1112 77.6801 43.9934 -0.399446 63.1114 -0.398932 -49.5718 GPRESSURE: 3430800 75.2484 37.3549 56.4333 77.9025 -12.3453 63.2182 37.8358 -80.807 52.9723 PRESSAVG: 3430800 71.6485 8.00835 -15.1158 8.00837 -32.717 19.8229 -15.1158 19.8229 6.20308 GPRESSAVG: 3430800 71.6185 4.35387 -14.4841 10.6233 -32.8735 20.0246 -12.5928 18.4933 6.18554 TIMING: 3430800 CPU: 10896.8, 0.00314128/step Wall: 10896.8, 0.00314128/step, 1.36925 hours remaining, 235.929688 MB of memory in use. ENERGY: 3430800 4053.5104 20355.2251 14489.8293 260.1225 -203349.9030 2758.8489 0.0000 0.0000 52095.0814 -109337.2854 299.3911 -161432.3668 -108974.2767 299.0262 -2.1901 38.6251 762185.7802 15.0449 14.9769 PRESSURE: 3431000 -189.777 140.961 169.977 140.961 32.1579 50.4888 169.977 50.4886 32.1129 GPRESSURE: 3431000 -229.329 82.2064 136.254 111.348 150.136 64.2986 136.239 -72.6211 44.7049 PRESSAVG: 3431000 7.88442 3.87687 -19.6923 3.87685 -25.0226 -21.6324 -19.6922 -21.6323 0.278308 GPRESSAVG: 3431000 7.32379 4.44498 -19.161 5.90842 -24.1292 -22.2067 -21.8248 -22.3743 -0.224435 TIMING: 3431000 CPU: 10897.5, 0.00313696/step Wall: 10897.5, 0.00313696/step, 1.36719 hours remaining, 235.929688 MB of memory in use. ENERGY: 3431000 3993.5007 20531.8315 14485.5701 245.6398 -203247.0795 2572.6322 0.0000 0.0000 51914.8370 -109503.0681 298.3553 -161417.9051 -109145.0615 298.7676 -41.8354 -11.4959 762056.7542 -5.6199 -5.6766 PRESSURE: 3431200 -152.386 -190.428 293.597 -190.428 11.2209 -5.75621 293.598 -5.7572 9.7091 GPRESSURE: 3431200 -113.775 -68.3897 288.777 -197.601 -23.4521 36.3378 237.408 70.634 63.8801 PRESSAVG: 3431200 10.7487 19.4464 -10.9238 19.4464 -2.43892 24.9914 -10.9238 24.9916 14.3899 GPRESSAVG: 3431200 11.4364 21.1814 -12.6918 17.111 -3.85023 22.9 -9.45902 26.1454 14.99 TIMING: 3431200 CPU: 10898.1, 0.00313205/step Wall: 10898.1, 0.00313205/step, 1.36488 hours remaining, 235.929688 MB of memory in use. ENERGY: 3431200 4018.2884 20520.2383 14539.6854 236.5919 -203409.5275 2750.9634 0.0000 0.0000 52083.8860 -109259.8741 299.3268 -161343.7601 -108884.6210 299.1333 -43.8185 -24.4489 762078.8701 7.5666 7.5254 PRESSURE: 3431400 297.597 -105.994 -49.8055 -105.993 348.674 150.213 -49.8057 150.213 61.3028 GPRESSURE: 3431400 311.304 -82.3541 -68.6154 -159.846 398.218 308.242 17.9477 -8.25053 80.245 PRESSAVG: 3431400 -12.5133 -46.1436 67.1781 -46.1436 -7.62355 30.8397 67.1781 30.8396 11.5501 GPRESSAVG: 3431400 -13.1544 -46.3779 66.9075 -46.1913 -6.5849 33.2543 67.7128 31.965 11.0464 TIMING: 3431400 CPU: 10898.7, 0.00313361/step Wall: 10898.7, 0.00313361/step, 1.36538 hours remaining, 235.929688 MB of memory in use. ENERGY: 3431400 4032.3258 20670.7943 14572.9256 240.8528 -203177.6083 2815.2778 0.0000 0.0000 51900.2582 -108945.1738 298.2715 -160845.4320 -108594.2089 299.5261 235.8577 263.2558 761201.4398 -2.8622 -2.8976 PRESSURE: 3431600 -60.594 68.8403 37.8306 68.8406 75.2162 23.2617 37.8308 23.2609 177.455 GPRESSURE: 3431600 -45.8995 118.218 52.867 46.9369 145.562 119.416 -128.946 46.5716 179.817 PRESSAVG: 3431600 39.3284 34.6943 18.7558 34.6943 -59.785 34.594 18.7559 34.5941 12.1893 GPRESSAVG: 3431600 40.2908 33.7704 18.2045 35.4422 -60.793 34.2716 18.4679 31.2711 12.2243 TIMING: 3431600 CPU: 10899.4, 0.00314353/step Wall: 10899.4, 0.00314353/step, 1.36953 hours remaining, 235.929688 MB of memory in use. ENERGY: 3431600 3955.8540 20399.6033 14523.6645 253.7066 -203321.8437 2810.0795 0.0000 0.0000 52155.4153 -109223.5206 299.7379 -161378.9358 -108864.4300 299.6164 64.0257 93.1598 761251.1061 -2.7558 -2.7593 PRESSURE: 3431800 -204.479 135.004 99.2578 135.004 -246.188 -33.4339 99.2578 -33.4337 -39.7924 GPRESSURE: 3431800 -239.723 106.852 40.4029 -35.3151 -149.808 51.5038 186.304 -54.2631 -14.13 PRESSAVG: 3431800 51.3629 8.49525 56.1003 8.49527 -52.6345 6.99 56.1003 6.98996 -10.8442 GPRESSAVG: 3431800 50.8907 7.17715 57.0987 8.77925 -51.6867 5.9634 57.0444 9.86176 -10.7162 TIMING: 3431800 CPU: 10900, 0.00312147/step Wall: 10900, 0.00312147/step, 1.35975 hours remaining, 235.929688 MB of memory in use. ENERGY: 3431800 4006.7305 20686.7010 14585.7852 248.7550 -202909.3794 2267.6313 0.0000 0.0000 51862.0828 -109251.6937 298.0521 -161113.7765 -108896.6323 299.0725 -163.4867 -134.5536 761414.5860 -4.0386 -3.8374 PRESSURE: 3432000 33.9153 -145.694 52.8178 -145.694 -64.4816 -210.319 52.8179 -210.32 397.856 GPRESSURE: 3432000 128.243 -33.3636 -68.2611 -38.2418 35.4008 -172.66 92.5328 -306.855 282.599 PRESSAVG: 3432000 8.09495 34.2689 80.8146 34.2689 -10.9612 -18.6973 80.8146 -18.6973 0.66348 GPRESSAVG: 3432000 8.46301 34.3853 81.3065 35.1832 -10.9563 -18.5095 79.6982 -20.7119 0.420952 TIMING: 3432000 CPU: 10900.6, 0.00310869/step Wall: 10900.6, 0.00310869/step, 1.35401 hours remaining, 235.929688 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: 3432000 3916.6275 20515.6516 14444.8078 234.5159 -203502.3726 2916.8216 0.0000 0.0000 52404.2182 -109069.7300 301.1678 -161473.9481 -108703.6302 299.3202 122.4298 148.7476 761936.9420 -0.7343 -0.6908 PRESSURE: 3432200 2.96209 11.4842 138.324 11.4839 -161.745 135.604 138.324 135.604 368.603 GPRESSURE: 3432200 -10.9145 77.1826 126.222 87.6858 -46.4529 132.629 93.8887 196.536 340.778 PRESSAVG: 3432200 -9.77028 25.632 18.3095 25.632 27.6541 -30.0092 18.3094 -30.0093 6.72551 GPRESSAVG: 3432200 -9.00609 25.5108 18.1776 25.062 25.4845 -29.7611 16.3975 -27.3229 7.89122 TIMING: 3432200 CPU: 10901.2, 0.00312374/step Wall: 10901.2, 0.00312374/step, 1.36039 hours remaining, 235.929688 MB of memory in use. ENERGY: 3432200 3945.8335 20657.1911 14614.2255 249.3244 -203392.7438 2709.4676 0.0000 0.0000 52124.6289 -109092.0728 299.5610 -161216.7017 -108719.8341 299.7584 69.9398 94.4702 762042.5916 8.2031 8.1232 LDB: ============= START OF LOAD BALANCING ============== 10913.6 LDB: ============== END OF LOAD BALANCING =============== 10913.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10913.6 LDB: ============= START OF LOAD BALANCING ============== 10914 LDB: Largest compute 7057 load 0.031437 is 16.1% of average load 0.195611 LDB: Average compute 0.004387 is 2.2% of average load 0.195611 LDB: TIME 10914 LOAD: AVG 0.195611 MAX 0.215086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.488 MB LDB: TIME 10914 LOAD: AVG 0.195611 MAX 0.215086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.488 MB LDB: TIME 10914 LOAD: AVG 0.195611 MAX 0.215086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.488 MB LDB: ============== END OF LOAD BALANCING =============== 10914 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10914 PRESSURE: 3432400 -68.3638 86.0924 -92.6141 86.0925 131.071 -28.5225 -92.614 -28.5227 -262.595 GPRESSURE: 3432400 3.71952 74.6845 -36.0781 -16.2635 115.716 -104.956 -23.7648 -75.2733 -234.162 PRESSAVG: 3432400 38.4557 -18.3639 50.9156 -18.364 -23.8552 -23.2996 50.9156 -23.2994 19.1807 GPRESSAVG: 3432400 37.1609 -17.0233 51.0093 -20.155 -22.0172 -23.5224 52.154 -24.1033 19.3844 TIMING: 3432400 CPU: 10901.9, 0.00318398/step Wall: 10901.9, 0.00318398/step, 1.38645 hours remaining, 232.578125 MB of memory in use. ENERGY: 3432400 4014.8793 20451.3478 14605.0869 245.5125 -203319.8556 2698.3085 0.0000 0.0000 52066.5765 -109238.1441 299.2273 -161304.7206 -108863.8837 298.9566 -66.6293 -38.2420 760431.6361 11.2604 11.5094 PRESSURE: 3432600 -101.689 -86.8633 -67.9166 -86.862 -180.496 -124.867 -67.9161 -124.867 -189.202 GPRESSURE: 3432600 -2.69838 37.3137 -182.007 -138.593 -184.074 -61.9228 -89.0383 -138.929 -199.1 PRESSAVG: 3432600 6.82806 30.5872 -4.60401 30.5872 -17.992 0.734679 -4.60404 0.734619 8.89338 GPRESSAVG: 3432600 7.57221 30.5901 -3.76708 32.9407 -18.3861 0.706112 -5.49733 2.37449 8.89435 TIMING: 3432600 CPU: 10902.5, 0.00313648/step Wall: 10902.5, 0.00313648/step, 1.36559 hours remaining, 232.578125 MB of memory in use. ENERGY: 3432600 4072.0815 20461.3058 14563.9715 243.9504 -203791.5847 2876.3450 0.0000 0.0000 52339.5828 -109234.3477 300.7963 -161573.9305 -108869.0505 299.6892 -157.1290 -128.6241 761393.8765 -0.7568 -0.6399 PRESSURE: 3432800 82.796 -128.046 77.2615 -128.045 -108.723 114.169 77.2612 114.169 -113.58 GPRESSURE: 3432800 161.515 -167.135 47.3345 -117.948 -157.098 181.079 28.2805 162.052 -50.1555 PRESSAVG: 3432800 27.5897 14.9403 37.8721 14.9402 -33.6602 -44.1147 37.8723 -44.1147 3.0771 GPRESSAVG: 3432800 28.0629 15.4839 37.0966 14.252 -34.3141 -45.2663 36.8701 -46.224 3.26796 TIMING: 3432800 CPU: 10903.1, 0.00311967/step Wall: 10903.1, 0.00311967/step, 1.3581 hours remaining, 232.578125 MB of memory in use. ENERGY: 3432800 4063.1429 20312.7832 14597.8719 239.0715 -203534.4699 2802.6952 0.0000 0.0000 51990.4178 -109528.4874 298.7896 -161518.9052 -109156.3160 299.6770 -46.5022 -15.2460 762490.2232 -0.9978 -0.9944 PRESSURE: 3433000 -117.181 149.394 61.8195 149.394 -239.782 14.9402 61.8197 14.9408 69.0679 GPRESSURE: 3433000 -79.882 112.701 135.658 157.831 -164.198 2.42226 31.7012 -35.6026 48.4594 PRESSAVG: 3433000 8.29692 13.4574 42.7104 13.4573 18.5129 45.1389 42.7104 45.1388 32.2811 GPRESSAVG: 3433000 9.17484 12.9993 41.1637 11.6845 18.5945 46.238 44.1971 44.587 31.2964 TIMING: 3433000 CPU: 10903.7, 0.00312639/step Wall: 10903.7, 0.00312639/step, 1.36085 hours remaining, 232.578125 MB of memory in use. ENERGY: 3433000 3954.2173 20420.3778 14497.6594 247.6510 -203610.3079 2542.7935 0.0000 0.0000 52127.6424 -109819.9665 299.5783 -161947.6090 -109453.8688 299.0107 -95.9648 -65.2068 761137.1096 19.6970 19.6886 PRESSURE: 3433200 -12.5098 -30.6968 253.77 -30.6965 -80.8845 95.4837 253.771 95.4837 -112.219 GPRESSURE: 3433200 43.8605 106.949 232.223 -124.713 -79.5782 49.9926 165.386 126.635 -78.1239 PRESSAVG: 3433200 35.9442 6.10824 25.8228 6.10821 -8.38169 14.5722 25.8228 14.5722 -15.0634 GPRESSAVG: 3433200 34.6055 6.54604 26.9027 6.90848 -7.35038 14.6844 25.3523 14.4445 -14.6469 TIMING: 3433200 CPU: 10904.4, 0.00312698/step Wall: 10904.4, 0.00312698/step, 1.36093 hours remaining, 232.578125 MB of memory in use. ENERGY: 3433200 4025.3948 20394.3023 14489.1487 259.5941 -203452.5897 2513.7267 0.0000 0.0000 52069.3203 -109701.1029 299.2431 -161770.4232 -109343.1377 298.4859 -68.5376 -37.9472 759758.5149 4.1664 4.2027 PRESSURE: 3433400 -32.1595 -112.43 38.7201 -112.429 163.401 79.9545 38.7208 79.9538 150.472 GPRESSURE: 3433400 76.758 -72.0061 31.4483 -43.5068 130.021 144.228 -25.8853 -11.05 130.562 PRESSAVG: 3433400 -26.4313 -23.1695 51.5047 -23.1696 32.9454 25.7605 51.5047 25.7605 -27.7248 GPRESSAVG: 3433400 -24.4757 -23.1137 52.2547 -23.5077 32.148 27.7722 52.9611 26.4459 -28.6546 TIMING: 3433400 CPU: 10905, 0.00313629/step Wall: 10905, 0.00313629/step, 1.36481 hours remaining, 232.578125 MB of memory in use. ENERGY: 3433400 4004.1022 20397.6963 14488.2808 249.1651 -203528.8740 2547.5146 0.0000 0.0000 52248.8611 -109593.2539 300.2749 -161842.1150 -109222.1818 299.4793 93.9043 112.4469 759958.9741 -7.0702 -6.9941 PRESSURE: 3433600 -203.086 160.74 -89.0468 160.741 -176.542 148.755 -89.0462 148.755 -111.822 GPRESSURE: 3433600 -200.265 118.406 -10.7606 259.804 -114.508 169.023 -63.4317 32.0848 -86.3965 PRESSAVG: 3433600 43.1762 -10.4568 34.1637 -10.4569 -18.835 13.8148 34.1637 13.8147 -10.9771 GPRESSAVG: 3433600 41.4876 -11.6401 35.027 -8.46624 -19.0289 11.7386 33.1166 12.9567 -10.134 TIMING: 3433600 CPU: 10905.6, 0.00312858/step Wall: 10905.6, 0.00312858/step, 1.36128 hours remaining, 232.578125 MB of memory in use. ENERGY: 3433600 4086.9046 20720.4204 14520.1746 267.0715 -203362.2019 2164.2153 0.0000 0.0000 51973.5627 -109629.8527 298.6928 -161603.4154 -109271.7591 299.4624 -163.8165 -133.7230 758577.7843 4.4547 4.1082 PRESSURE: 3433800 -252.115 -102.684 42.7241 -102.684 -44.734 -96.5716 42.7237 -96.5714 -312.332 GPRESSURE: 3433800 -196.924 -5.52996 -5.54694 -64.0634 -43.309 -3.31481 28.5177 -65.1597 -285.962 PRESSAVG: 3433800 -17.2625 29.5662 34.0383 29.5662 38.8422 -21.7967 34.0384 -21.7967 1.94577 GPRESSAVG: 3433800 -16.6304 29.6213 33.591 28.7548 38.1973 -20.7712 34.2642 -19.3661 1.28423 TIMING: 3433800 CPU: 10906.2, 0.00314508/step Wall: 10906.2, 0.00314508/step, 1.36828 hours remaining, 232.578125 MB of memory in use. ENERGY: 3433800 4032.9311 20597.9742 14469.6529 244.2415 -203636.6326 2541.3328 0.0000 0.0000 51871.8286 -109878.6715 298.1081 -161750.5001 -109511.5979 298.9957 -203.0605 -175.3982 761116.3501 7.8418 7.6170 PRESSURE: 3434000 -303.867 -75.7962 137.946 -75.7964 -167.675 371.431 137.946 371.43 198.885 GPRESSURE: 3434000 -274.234 -80.8676 163.653 -90.9783 -128.276 386.222 103.639 299.22 209.55 PRESSAVG: 3434000 -39.8017 -12.0636 63.4401 -12.0635 46.8778 21.1877 63.4401 21.1877 -3.36193 GPRESSAVG: 3434000 -39.7235 -11.0428 63.4815 -11.4896 47.4029 21.6733 62.7372 19.0349 -4.52201 TIMING: 3434000 CPU: 10906.9, 0.00312566/step Wall: 10906.9, 0.00312566/step, 1.35966 hours remaining, 232.578125 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: 3434000 4069.1655 20403.4068 14554.1011 260.6977 -203279.6357 2316.1098 0.0000 0.0000 51937.2868 -109738.8681 298.4843 -161676.1548 -109371.4214 298.7455 -90.8857 -64.3200 760239.0293 1.2381 1.0525 PRESSURE: 3434200 25.7755 1.91526 -94.8815 1.91545 -143.049 -52.4683 -94.8813 -52.4681 -32.3431 GPRESSURE: 3434200 21.1681 6.4932 -154.766 19.4248 -71.3005 -20.7622 -96.8904 -81.5004 -1.0517 PRESSAVG: 3434200 -15.834 -14.3055 47.2749 -14.3055 17.7721 25.1251 47.2749 25.1251 11.4632 GPRESSAVG: 3434200 -17.6763 -14.3737 45.5042 -14.6337 18.4419 24.1757 47.2118 26.1776 12.7087 TIMING: 3434200 CPU: 10907.5, 0.00310716/step Wall: 10907.5, 0.00310716/step, 1.35144 hours remaining, 232.578125 MB of memory in use. ENERGY: 3434200 3968.8206 20532.2413 14531.2747 244.6420 -203735.4596 2576.5604 0.0000 0.0000 51972.8585 -109909.0622 298.6887 -161881.9206 -109543.1177 298.7784 -49.8721 -17.0614 761011.3913 4.4671 4.4914 PRESSURE: 3434400 -244.541 -348.061 94.6927 -348.061 142.902 -69.2996 94.6925 -69.2998 -105.744 GPRESSURE: 3434400 -109.683 -292.195 88.1886 -290.278 -14.2708 -69.1732 190.471 -4.41967 15.184 PRESSAVG: 3434400 -22.4071 -21.2298 -2.69649 -21.2299 29.262 -39.2 -2.69653 -39.1999 8.6316 GPRESSAVG: 3434400 -21.4684 -20.7015 -1.6163 -22.567 28.2158 -40.3943 -1.37276 -39.4477 8.6214 TIMING: 3434400 CPU: 10908.1, 0.00310909/step Wall: 10908.1, 0.00310909/step, 1.35211 hours remaining, 232.578125 MB of memory in use. ENERGY: 3434400 4038.4761 20611.9449 14547.7787 246.9525 -203468.2223 2583.1898 0.0000 0.0000 51720.4990 -109719.3812 297.2384 -161439.8803 -109359.5479 298.9563 -69.1276 -36.2567 760005.1743 5.1622 5.1230 PRESSURE: 3434600 62.849 -34.14 132.656 -34.1403 66.5044 -39.1314 132.656 -39.1307 -204.872 GPRESSURE: 3434600 133.062 -125.527 139.723 63.9904 0.603471 -59.9257 31.545 -135.921 -123.778 PRESSAVG: 3434600 14.186 -0.254649 28.3805 -0.254577 -25.0436 -24.2403 28.3805 -24.2403 14.0698 GPRESSAVG: 3434600 14.256 -1.81603 27.6361 1.60689 -24.6156 -21.8269 27.6602 -24.1355 13.3715 TIMING: 3434600 CPU: 10908.7, 0.00312507/step Wall: 10908.7, 0.00312507/step, 1.35888 hours remaining, 232.578125 MB of memory in use. ENERGY: 3434600 3936.9547 20449.8808 14593.9046 244.0433 -203326.5699 2613.4678 0.0000 0.0000 51918.9167 -109569.4020 298.3787 -161488.3187 -109207.1966 298.6754 -25.1727 3.2960 760899.5824 1.0708 1.0040 PRESSURE: 3434800 210.382 -54.0348 -23.5541 -54.0352 -205.706 -56.5758 -23.5539 -56.5757 1.64105 GPRESSURE: 3434800 281.174 -12.3026 -19.1487 34.2834 -169.508 -86.7163 -44.5277 -29.9455 -34.737 PRESSAVG: 3434800 7.1253 -17.9778 1.57674 -17.9778 -46.3392 -34.0449 1.57674 -34.0449 -22.8644 GPRESSAVG: 3434800 6.98487 -17.3926 2.55447 -17.646 -46.64 -35.9113 2.64996 -32.9765 -22.2575 TIMING: 3434800 CPU: 10909.4, 0.00312977/step Wall: 10909.4, 0.00312977/step, 1.36076 hours remaining, 232.578125 MB of memory in use. ENERGY: 3434800 3987.4473 20730.9921 14492.6094 270.2927 -203126.3290 2426.0935 0.0000 0.0000 51944.1680 -109274.7261 298.5238 -161218.8941 -108922.9817 298.6112 2.1059 25.6428 763180.6421 -20.6928 -20.6376 PRESSURE: 3435000 23.4888 -42.0194 -74.8886 -42.0196 -47.8379 -25.5111 -74.8882 -25.5116 232.542 GPRESSURE: 3435000 84.4499 -38.3324 -41.2478 -8.83291 -14.2214 21.2756 -133.231 -157.915 220.223 PRESSAVG: 3435000 -3.1689 59.5969 25.7731 59.5968 24.4265 -35.8581 25.7731 -35.8581 12.4177 GPRESSAVG: 3435000 -4.40675 60.7373 26.0009 57.6238 24.4534 -35.8639 24.7 -36.6279 13.361 TIMING: 3435000 CPU: 10910, 0.00311882/step Wall: 10910, 0.00311882/step, 1.35582 hours remaining, 232.578125 MB of memory in use. ENERGY: 3435000 4003.2429 20646.1383 14513.8025 245.2100 -203262.7704 2813.6936 0.0000 0.0000 51800.1276 -109240.5556 297.6960 -161040.6832 -108880.0157 299.4282 69.3976 96.8172 762790.2636 11.2251 11.1359 PRESSURE: 3435200 482.447 -181.566 -103.958 -181.566 -14.8108 -138.622 -103.958 -138.622 -306.238 GPRESSURE: 3435200 404.084 -158.178 -96.7715 -120.686 44.9528 -112.941 -65.1942 -95.9579 -194.686 PRESSAVG: 3435200 29.5845 16.8706 -42.1252 16.8707 -8.17713 -34.631 -42.1253 -34.6309 11.6863 GPRESSAVG: 3435200 32.336 12.6859 -42.1969 19.1937 -8.77671 -35.8875 -43.7949 -34.0228 9.71337 TIMING: 3435200 CPU: 10910.6, 0.00314228/step Wall: 10910.6, 0.00314228/step, 1.36584 hours remaining, 232.718750 MB of memory in use. ENERGY: 3435200 3935.4550 20736.4992 14436.5781 240.5366 -203021.3650 2499.9306 0.0000 0.0000 52021.2112 -109151.1544 298.9666 -161172.3657 -108796.7308 299.0698 53.7995 84.7837 762454.0247 11.0312 11.0909 PRESSURE: 3435400 118.681 -95.9867 62.7875 -95.9867 51.1224 -45.8731 62.7886 -45.8728 -323.067 GPRESSURE: 3435400 147.298 -15.7048 58.6924 -7.90835 73.3053 33.2987 31.6084 -92.5814 -284.158 PRESSAVG: 3435400 -49.5677 -6.25253 23.0029 -6.2525 19.9242 -10.1582 23.0029 -10.1583 21.9313 GPRESSAVG: 3435400 -52.2621 -3.09328 20.9697 -6.93002 20.7431 -9.32244 24.9773 -10.7624 23.524 TIMING: 3435400 CPU: 10911.2, 0.00312929/step Wall: 10911.2, 0.00312929/step, 1.36002 hours remaining, 232.718750 MB of memory in use. ENERGY: 3435400 3904.9067 20473.0913 14549.5583 247.8306 -203135.5145 2532.9747 0.0000 0.0000 52219.1828 -109207.9700 300.1044 -161427.1528 -108840.0142 299.6748 -51.0880 -21.1847 760763.7595 -2.5707 -2.6650 PRESSURE: 3435600 -344.14 54.7409 20.8742 54.7411 -209.813 -8.5548 20.8734 -8.55548 -99.5895 GPRESSURE: 3435600 -318.717 37.8439 -27.0796 -50.7165 -156.118 29.1746 129.712 150.135 -95.5702 PRESSAVG: 3435600 0.998493 -0.833856 14.7841 -0.833816 -11.3175 -57.6614 14.7842 -57.6615 -13.2564 GPRESSAVG: 3435600 2.69952 -0.387938 17.5742 -2.60888 -11.8856 -56.5852 13.0556 -57.719 -14.6607 TIMING: 3435600 CPU: 10911.9, 0.00311471/step Wall: 10911.9, 0.00311471/step, 1.35352 hours remaining, 232.718750 MB of memory in use. ENERGY: 3435600 4060.5292 20698.0536 14527.3197 250.8019 -202976.9682 2477.4463 0.0000 0.0000 51999.5915 -108963.2259 298.8424 -160962.8175 -108613.5907 300.0351 -217.8475 -190.1350 763103.9701 -7.8585 -7.9489 PRESSURE: 3435800 -237.35 150.073 109.344 150.072 -266.14 -293.05 109.344 -293.049 -74.6786 GPRESSURE: 3435800 -200.996 178.962 103.58 115.158 -251 -250.498 29.8278 -183.597 -30.3333 PRESSAVG: 3435800 -39.4025 -70.0543 -19.4805 -70.0543 58.7319 -21.1337 -19.4805 -21.1337 29.5811 GPRESSAVG: 3435800 -40.0558 -71.5757 -19.2891 -70.3622 59.0856 -20.0561 -18.5562 -18.8401 29.9784 TIMING: 3435800 CPU: 10912.5, 0.00313261/step Wall: 10912.5, 0.00313261/step, 1.36112 hours remaining, 232.718750 MB of memory in use. ENERGY: 3435800 3957.2422 20515.3009 14549.5129 259.5104 -202848.0324 2400.4590 0.0000 0.0000 52386.2779 -108779.7291 301.0647 -161166.0070 -108414.1342 300.9007 -192.7229 -160.7765 761126.2534 16.3035 16.3361 PRESSURE: 3436000 -11.9586 -22.3098 136.633 -22.3103 103.118 -28.0149 136.632 -28.016 292.887 GPRESSURE: 3436000 131.859 28.2544 65.6969 -146.781 109.4 -65.9454 186.865 -64.6237 227.043 PRESSAVG: 3436000 -6.41405 -12.7886 -11.7538 -12.7886 34.6591 -75.425 -11.7538 -75.425 2.39827 GPRESSAVG: 3436000 -5.5599 -14.2721 -13.0655 -10.395 34.4597 -75.7504 -11.279 -78.3163 1.96947 TIMING: 3436000 CPU: 10913.1, 0.0031254/step Wall: 10913.1, 0.0031254/step, 1.35781 hours remaining, 232.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3436000 4007.0568 20537.0443 14412.6645 258.1007 -203058.2985 2458.6847 0.0000 0.0000 52327.1347 -109057.6129 300.7248 -161384.7476 -108698.8278 300.0009 128.0156 156.1006 761127.3196 10.2144 10.2898 PRESSURE: 3436200 32.8199 127.909 184.355 127.91 -518.186 -14.3421 184.355 -14.3417 -127.292 GPRESSURE: 3436200 47.5044 176.737 210.75 92.9396 -538.592 -28.2907 170.751 -17.2018 -59.5424 PRESSAVG: 3436200 58.5403 19.5731 6.85764 19.5732 -45.7259 -45.4349 6.85757 -45.4349 9.29518 GPRESSAVG: 3436200 58.2116 22.0138 6.90972 18.3686 -46.5683 -45.4467 5.22514 -48.279 10.031 TIMING: 3436200 CPU: 10913.7, 0.00313227/step Wall: 10913.7, 0.00313228/step, 1.36063 hours remaining, 232.718750 MB of memory in use. ENERGY: 3436200 4039.6181 20512.6781 14479.8250 241.1546 -202865.6547 2523.5657 0.0000 0.0000 52134.4349 -108934.3784 299.6173 -161068.8132 -108565.1942 300.2481 -204.2193 -183.5432 761330.8252 7.3699 7.2248 LDB: ============= START OF LOAD BALANCING ============== 10926.2 LDB: ============== END OF LOAD BALANCING =============== 10926.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10926.2 LDB: ============= START OF LOAD BALANCING ============== 10926.5 LDB: Largest compute 7068 load 0.031012 is 15.9% of average load 0.195489 LDB: Average compute 0.004390 is 2.2% of average load 0.195489 LDB: TIME 10926.5 LOAD: AVG 0.195489 MAX 0.218474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.625 MB LDB: TIME 10926.5 LOAD: AVG 0.195489 MAX 0.218474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: TIME 10926.5 LOAD: AVG 0.195489 MAX 0.217996 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: ============== END OF LOAD BALANCING =============== 10926.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10926.5 PRESSURE: 3436400 -101.062 -115.957 247.025 -115.956 -249.115 -142.271 247.025 -142.271 -55.3193 GPRESSURE: 3436400 -86.5064 -86.6278 289.698 -58.4838 -260.252 -315.769 143.656 -35.1463 7.10248 PRESSAVG: 3436400 28.2807 25.4876 39.31 25.4877 -37.8273 -6.5192 39.3099 -6.51921 8.57715 GPRESSAVG: 3436400 28.0719 23.7166 37.8232 26.261 -37.4118 -7.58232 39.552 -2.32477 8.16445 TIMING: 3436400 CPU: 10914.4, 0.00319958/step Wall: 10914.4, 0.00319958/step, 1.38968 hours remaining, 234.648438 MB of memory in use. ENERGY: 3436400 4091.4581 20550.2615 14554.6839 229.5113 -202731.6727 2321.8355 0.0000 0.0000 52117.5045 -108866.4179 299.5200 -160983.9224 -108503.3778 299.7452 -135.1653 -113.2186 761587.1275 -0.3231 -0.3918 PRESSURE: 3436600 -14.7893 87.6309 143.028 87.6312 39.5017 67.1507 143.027 67.1502 -242.749 GPRESSURE: 3436600 -41.4687 104.907 273.618 -12.0243 70.299 23.3344 81.0846 69.3456 -184.042 PRESSAVG: 3436600 20.8231 55.4939 30.3062 55.4938 -19.8688 -7.49468 30.3062 -7.49467 4.03611 GPRESSAVG: 3436600 19.9105 59.3987 29.978 54.0267 -19.7076 -6.10905 30.2826 -7.19908 4.94531 TIMING: 3436600 CPU: 10915, 0.00316035/step Wall: 10915, 0.00316035/step, 1.37247 hours remaining, 234.648438 MB of memory in use. ENERGY: 3436600 4026.2115 20608.9422 14481.7563 270.2452 -202729.6766 2249.2214 0.0000 0.0000 52256.5648 -108836.7353 300.3192 -161093.3001 -108474.4912 300.2964 -72.6789 -51.7372 762381.3052 1.6634 1.7161 PRESSURE: 3436800 -169.938 142.267 -70.3134 142.267 -56.8411 8.46629 -70.3126 8.46665 -646.104 GPRESSURE: 3436800 -218.258 113.218 -136.003 97.6375 23.0213 -1.97699 -76.9055 -108.501 -593.713 PRESSAVG: 3436800 -1.73437 41.009 -21.4367 41.0091 -12.2051 -43.8664 -21.4368 -43.8664 -6.96762 GPRESSAVG: 3436800 -0.102991 38.2659 -19.3772 42.4508 -13.1338 -45.7553 -20.2766 -45.1506 -7.42494 TIMING: 3436800 CPU: 10915.6, 0.00314476/step Wall: 10915.6, 0.00314476/step, 1.36552 hours remaining, 234.648438 MB of memory in use. ENERGY: 3436800 4048.3158 20535.8534 14478.2508 258.3563 -202882.0674 2474.7005 0.0000 0.0000 52213.5152 -108873.0753 300.0718 -161086.5906 -108509.9227 299.9381 -290.9610 -262.9831 762672.6974 -6.9690 -6.8872 PRESSURE: 3437000 -68.3201 -51.193 -62.0598 -51.193 -432.525 -176.734 -62.0601 -176.734 -196.933 GPRESSURE: 3437000 -60.9928 -125.486 -21.3738 27.6887 -396.74 -137.615 -52.5407 -63.7657 -158.985 PRESSAVG: 3437000 11.039 -4.114 -4.6113 -4.11398 -36.2684 -71.5408 -4.61136 -71.5407 -16.5963 GPRESSAVG: 3437000 9.9361 -2.9103 -4.04972 -3.96567 -35.7924 -70.6685 -6.17508 -69.4518 -16.0765 TIMING: 3437000 CPU: 10916.3, 0.00313143/step Wall: 10916.3, 0.00313143/step, 1.35956 hours remaining, 234.648438 MB of memory in use. ENERGY: 3437000 3941.9920 20586.0210 14556.5569 239.4116 -202672.4820 2173.1125 0.0000 0.0000 52354.8659 -108820.5221 300.8841 -161175.3880 -108458.2135 299.8763 -232.5927 -205.5725 763571.6066 -13.9419 -13.9776 PRESSURE: 3437200 -132.988 -159.755 167.121 -159.754 -189.161 177.101 167.121 177.101 -11.3393 GPRESSURE: 3437200 -114.363 -56.2113 190.141 -77.498 -72.9297 179.082 120.702 81.9156 -46.9309 PRESSAVG: 3437200 22.4918 6.77306 40.1574 6.77299 -74.3758 -31.4512 40.1574 -31.4511 -26.0124 GPRESSAVG: 3437200 22.9332 5.09922 39.6067 9.21491 -74.6057 -30.4353 40.846 -31.3165 -26.3113 TIMING: 3437200 CPU: 10916.9, 0.00314141/step Wall: 10916.9, 0.00314141/step, 1.36372 hours remaining, 234.906250 MB of memory in use. ENERGY: 3437200 3987.2128 20588.0814 14476.2615 241.3426 -202896.4377 2410.0327 0.0000 0.0000 52329.6940 -108863.8127 300.7395 -161193.5067 -108503.5825 300.1433 -111.1627 -78.0745 762403.8384 -25.9655 -25.9946 PRESSURE: 3437400 277.129 4.67385 -130.438 4.67323 -86.3792 -158.934 -130.438 -158.933 121.607 GPRESSURE: 3437400 264.228 20.9607 -77.7483 -45.179 5.50094 -115.006 -136.446 -86.9594 125.961 PRESSAVG: 3437400 13.5035 -31.7015 1.03164 -31.7015 -9.58242 -9.32921 1.03163 -9.32919 6.86328 GPRESSAVG: 3437400 13.2005 -30.575 -0.276692 -33.1476 -8.55279 -11.528 1.22593 -10.0169 6.40382 TIMING: 3437400 CPU: 10917.5, 0.00313979/step Wall: 10917.5, 0.00313979/step, 1.36284 hours remaining, 234.906250 MB of memory in use. ENERGY: 3437400 4027.6872 20446.0115 14570.4566 236.0571 -203221.5056 2740.5750 0.0000 0.0000 52214.7771 -108985.9412 300.0790 -161200.7182 -108628.6676 300.0309 104.1187 131.8967 761275.8505 3.5948 3.6838 PRESSURE: 3437600 195.491 2.49785 -3.11523 2.49776 102.497 -156.602 -3.11491 -156.602 315.511 GPRESSURE: 3437600 307.966 17.5514 -71.4697 70.3363 120.02 -192.015 2.89506 -81.1208 291.042 PRESSAVG: 3437600 35.7344 -43.3335 -3.32693 -43.3335 -27.913 -7.13485 -3.32691 -7.13486 39.0568 GPRESSAVG: 3437600 36.326 -43.7666 -3.04067 -45.173 -28.4977 -6.17528 -4.17725 -7.77007 38.7238 TIMING: 3437600 CPU: 10918.2, 0.00313785/step Wall: 10918.2, 0.00313785/step, 1.36183 hours remaining, 234.906250 MB of memory in use. ENERGY: 3437600 4008.0051 20476.9530 14494.8915 243.0246 -203475.5311 3170.9499 0.0000 0.0000 52125.2131 -108956.4941 299.5643 -161081.7071 -108599.8075 299.9590 204.4998 239.6757 760952.1264 15.6261 15.5174 PRESSURE: 3437800 436.098 -61.0025 197.762 -61.0025 -63.0055 -131.523 197.762 -131.523 561.995 GPRESSURE: 3437800 527.42 -15.6061 187.098 27.2829 -108.679 -78.378 145.633 30.8392 601.714 PRESSAVG: 3437800 11.6492 23.72 83.1676 23.72 -37.0921 -35.5321 83.1676 -35.5321 8.38286 GPRESSAVG: 3437800 12.7935 25.8192 83.9222 23.8395 -38.3011 -35.9644 81.4715 -35.4897 8.488 TIMING: 3437800 CPU: 10918.8, 0.00312409/step Wall: 10918.8, 0.00312409/step, 1.35568 hours remaining, 234.906250 MB of memory in use. ENERGY: 3437800 3992.9963 20461.2183 14605.0104 241.7626 -203287.6412 2801.8933 0.0000 0.0000 52191.9121 -108992.8481 299.9476 -161184.7602 -108628.1095 300.3537 311.6959 340.1519 760190.3286 -5.6867 -5.6732 PRESSURE: 3438000 -60.2179 213.863 53.2862 213.863 -93.6041 151.858 53.2863 151.858 82.0717 GPRESSURE: 3438000 -29.8345 246.668 51.0836 180.288 -24.9406 137.308 -28.936 86.4427 84.9152 PRESSAVG: 3438000 18.2068 -13.1385 38.866 -13.1385 -59.4177 -88.9789 38.866 -88.9788 -0.964101 GPRESSAVG: 3438000 16.951 -14.4956 38.752 -11.7909 -58.4913 -89.6006 40.1874 -89.3569 -0.132772 TIMING: 3438000 CPU: 10919.4, 0.00312741/step Wall: 10919.4, 0.00312741/step, 1.35695 hours remaining, 234.906250 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: 3438000 4055.9921 20518.9878 14528.8679 241.6180 -203377.5403 2799.2746 0.0000 0.0000 52175.3438 -109057.4563 299.8524 -161232.8000 -108692.8836 299.7156 -23.9168 10.0467 762398.4914 -14.0583 -13.8910 PRESSURE: 3438200 -98.3682 -25.8261 120.97 -25.8265 154.101 -23.6937 120.97 -23.6954 300.255 GPRESSURE: 3438200 -109.947 -7.04133 62.4615 46.7331 258.988 -2.89706 109.554 -4.76901 296.53 PRESSAVG: 3438200 20.627 -13.3614 24.2003 -13.3614 5.15292 -56.9598 24.2004 -56.9598 6.39893 GPRESSAVG: 3438200 19.4425 -13.6426 24.8482 -13.6256 6.8925 -57.7343 22.5541 -56.3578 6.57121 TIMING: 3438200 CPU: 10920, 0.00313006/step Wall: 10920, 0.00313006/step, 1.35792 hours remaining, 234.906250 MB of memory in use. ENERGY: 3438200 3928.8241 20529.9605 14572.7898 245.0522 -203261.7143 2686.8344 0.0000 0.0000 52387.1466 -108911.1068 301.0697 -161298.2534 -108541.9189 300.5699 118.6623 148.5239 761191.8158 10.7263 10.9687 PRESSURE: 3438400 -228.979 53.0277 -172.015 53.0274 -109.445 -74.8346 -172.013 -74.835 273.077 GPRESSURE: 3438400 -191.29 85.6194 -127.444 64.5883 -103.613 -87.4216 -73.2524 -88.4928 300.024 PRESSAVG: 3438400 -20.4134 5.33392 -4.90415 5.33394 -5.20017 -27.0749 -4.9041 -27.0749 -5.99113 GPRESSAVG: 3438400 -19.251 5.50796 -4.64841 4.69684 -6.96828 -25.1125 -2.74295 -27.997 -5.78245 TIMING: 3438400 CPU: 10920.7, 0.00312265/step Wall: 10920.7, 0.00312265/step, 1.35454 hours remaining, 234.906250 MB of memory in use. ENERGY: 3438400 4069.7042 20580.2395 14580.0737 240.1606 -202784.1322 2224.9339 0.0000 0.0000 51874.0189 -109215.0014 298.1207 -161089.0204 -108853.8494 299.6854 -21.7825 1.7069 763656.1580 -10.5349 -10.6672 PRESSURE: 3438600 -115.8 75.6665 272.657 75.6661 -98.8517 -11.2542 272.657 -11.255 288.359 GPRESSURE: 3438600 -88.234 21.7913 303.278 20.0715 -25.2758 101.843 239.901 -71.0447 272.757 PRESSAVG: 3438600 38.4476 -27.0154 57.817 -27.0154 -36.0255 -19.9834 57.8169 -19.9834 31.2199 GPRESSAVG: 3438600 38.5719 -24.8565 57.3926 -29.3586 -35.8997 -20.2657 57.4989 -18.5624 29.8565 TIMING: 3438600 CPU: 10921.3, 0.00313743/step Wall: 10921.3, 0.00313743/step, 1.36077 hours remaining, 234.906250 MB of memory in use. ENERGY: 3438600 4000.3243 20570.8508 14538.3563 243.0654 -203096.0570 2533.7609 0.0000 0.0000 51903.0474 -109306.6519 298.2875 -161209.6993 -108953.2773 299.1479 24.5693 53.0825 762097.7889 11.2140 10.8429 PRESSURE: 3438800 -65.323 66.0548 -131.29 66.0545 -219.138 13.8778 -131.289 13.8785 -154.945 GPRESSURE: 3438800 -53.4898 -19.8188 -132.461 275.959 -159.257 3.33391 -177.177 -8.52654 -131.153 PRESSAVG: 3438800 -23.0959 -42.1816 52.2445 -42.1817 23.0467 24.5739 52.2445 24.5739 -2.48215 GPRESSAVG: 3438800 -23.5106 -43.8376 51.8797 -39.0396 22.4058 25.3461 51.6262 23.3639 -1.27145 TIMING: 3438800 CPU: 10921.9, 0.00311207/step Wall: 10921.9, 0.00311207/step, 1.3496 hours remaining, 234.906250 MB of memory in use. ENERGY: 3438800 3985.3380 20539.3025 14523.3770 246.6539 -203096.8518 2430.6236 0.0000 0.0000 52269.0317 -109102.5252 300.3908 -161371.5569 -108734.5429 299.3901 -146.4688 -114.6332 762061.4763 -0.8438 -0.7921 PRESSURE: 3439000 19.6104 142.478 -223.342 142.48 -110.644 -52.8359 -223.343 -52.8362 -287.327 GPRESSURE: 3439000 107.986 196.389 -282.34 151.043 -219.859 -111.406 -53.4372 -70.0246 -193.493 PRESSAVG: 3439000 -32.1326 -0.383031 43.8442 -0.383032 -42.0145 -23.1886 43.8442 -23.1886 19.1619 GPRESSAVG: 3439000 -33.8581 0.129532 43.3908 0.675451 -40.006 -23.4939 45.3933 -23.2146 18.8968 TIMING: 3439000 CPU: 10922.5, 0.00312145/step Wall: 10922.5, 0.00312145/step, 1.3535 hours remaining, 234.906250 MB of memory in use. ENERGY: 3439000 4073.7993 20552.0082 14487.3954 236.6983 -203283.4887 2789.1584 0.0000 0.0000 52109.6929 -109034.7362 299.4751 -161144.4291 -108674.5377 300.2370 -126.1203 -101.7887 764076.5488 -18.3284 -18.3224 PRESSURE: 3439200 -174.489 84.1977 -129.407 84.1985 -249.785 41.1247 -129.406 41.1249 -211.099 GPRESSURE: 3439200 -69.4999 -9.01126 -224.695 88.8214 -237.354 80.7687 50.6518 153.875 -246.078 PRESSAVG: 3439200 14.9968 -9.84652 14.0943 -9.84648 -29.708 23.8918 14.0944 23.8919 -7.62061 GPRESSAVG: 3439200 17.0625 -9.72818 15.3716 -12.8672 -31.3494 22.0758 13.1221 24.3472 -7.87845 TIMING: 3439200 CPU: 10923.2, 0.00311022/step Wall: 10923.2, 0.00311022/step, 1.34845 hours remaining, 234.906250 MB of memory in use. ENERGY: 3439200 3908.1771 20544.4612 14541.4306 222.5297 -202783.9403 2170.7980 0.0000 0.0000 52156.0924 -109240.4513 299.7418 -161396.5438 -108885.6966 298.9104 -211.7909 -184.3108 763733.7549 -7.4440 -7.3884 PRESSURE: 3439400 219.951 175.164 69.5201 175.164 189.558 -235.484 69.5214 -235.485 -2.88875 GPRESSURE: 3439400 203.991 114.271 97.2681 222.154 276.624 -166.077 -26.5288 -208.528 34.4768 PRESSAVG: 3439400 2.89951 17.1939 11.534 17.194 32.6792 24.4436 11.534 24.4437 8.81865 GPRESSAVG: 3439400 2.81117 15.6452 12.0003 21.3923 34.1543 25.4511 11.2544 25.8037 7.51045 TIMING: 3439400 CPU: 10923.8, 0.00311311/step Wall: 10923.8, 0.00311311/step, 1.34954 hours remaining, 234.906250 MB of memory in use. ENERGY: 3439400 3984.9616 20395.9966 14532.0755 236.4330 -203019.7870 2688.2795 0.0000 0.0000 51994.5880 -109187.4527 298.8136 -161182.0407 -108827.1877 299.3368 135.5402 171.6970 761014.7442 14.7991 14.8253 PRESSURE: 3439600 -413.395 -84.3211 -40.8857 -84.3206 -104.964 -9.8474 -40.8856 -9.84605 -359.177 GPRESSURE: 3439600 -429.953 -135.147 -55.9045 -33.7206 -17.2041 -21.6308 -56.2325 -62.184 -326.636 PRESSAVG: 3439600 30.0149 -13.7275 -0.788547 -13.7275 -47.2703 -37.4145 -0.788486 -37.4145 -1.91429 GPRESSAVG: 3439600 28.8001 -9.50242 -1.46433 -17.3031 -47.8335 -38.4942 -0.235424 -37.6772 0.123067 TIMING: 3439600 CPU: 10924.4, 0.00311434/step Wall: 10924.4, 0.00311434/step, 1.34989 hours remaining, 234.906250 MB of memory in use. ENERGY: 3439600 3942.7345 20522.3295 14612.1038 228.3884 -202703.6993 2257.0076 0.0000 0.0000 52160.6466 -108980.4889 299.7680 -161141.1355 -108626.4904 299.2819 -292.5118 -257.9313 764373.5557 -6.3899 -6.3034 PRESSURE: 3439800 -231.565 122.531 380.266 122.53 273.211 -234.214 380.266 -234.214 -146.975 GPRESSURE: 3439800 -164.852 63.9227 339.203 152.52 257.253 -224.694 257.037 -260.762 -115.279 PRESSAVG: 3439800 -22.1368 -38.3226 11.5852 -38.3227 -2.91183 -73.9642 11.5853 -73.9641 10.2636 GPRESSAVG: 3439800 -20.6253 -42.3536 10.0707 -37.5772 -3.34119 -73.5086 12.7532 -74.5782 8.80979 TIMING: 3439800 CPU: 10925, 0.00310545/step Wall: 10925, 0.00310545/step, 1.34587 hours remaining, 234.906250 MB of memory in use. ENERGY: 3439800 4002.9322 20548.1878 14504.1789 254.5092 -203244.4747 2823.4467 0.0000 0.0000 51983.1096 -109128.1102 298.7476 -161111.2198 -108769.1716 299.5847 -35.1100 -7.6259 763269.8512 -4.9283 -5.0522 PRESSURE: 3440000 -62.032 175.438 138.935 175.437 -70.8377 4.48186 138.936 4.48172 -124.92 GPRESSURE: 3440000 -43.0403 212.448 128.26 155.862 69.3945 3.9895 177.679 -36.1223 -205.352 PRESSAVG: 3440000 16.4053 -22.9939 48.7702 -22.9939 19.0542 -13.7006 48.7703 -13.7006 14.3717 GPRESSAVG: 3440000 16.3617 -21.8418 51.2785 -20.7663 19.3483 -12.8699 46.3035 -14.3823 14.096 TIMING: 3440000 CPU: 10925.6, 0.00311645/step Wall: 10925.6, 0.00311645/step, 1.35046 hours remaining, 234.906250 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: 3440000 3919.6247 20507.4998 14460.2198 280.5580 -203220.6433 2723.9980 0.0000 0.0000 51997.7862 -109330.9567 298.8320 -161328.7430 -108964.8201 299.3833 -85.9298 -59.6659 761307.5816 16.6104 16.6020 PRESSURE: 3440200 -186.641 -23.9486 143.921 -23.9486 31.7212 151.36 143.922 151.36 -168.979 GPRESSURE: 3440200 -108.291 144.646 104.081 -100.145 20.9486 151.275 141.27 226.093 -140.621 PRESSAVG: 3440200 -3.87022 -26.3132 -6.53076 -26.3132 21.474 -6.32732 -6.5308 -6.32729 -17.2749 GPRESSAVG: 3440200 -3.12584 -25.847 -7.40663 -27.818 19.985 -6.01097 -5.80215 -4.71541 -16.4068 TIMING: 3440200 CPU: 10926.3, 0.00312909/step Wall: 10926.3, 0.00312909/step, 1.35576 hours remaining, 234.906250 MB of memory in use. ENERGY: 3440200 4020.1362 20434.0448 14484.4004 247.5015 -203257.8521 2693.2443 0.0000 0.0000 51879.9285 -109498.5964 298.1547 -161378.5248 -109136.4743 298.7236 -107.9663 -75.9881 760745.7269 0.1096 0.1508 LDB: ============= START OF LOAD BALANCING ============== 10938.7 LDB: ============== END OF LOAD BALANCING =============== 10938.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10938.7 LDB: ============= START OF LOAD BALANCING ============== 10939 LDB: Largest compute 7070 load 0.030886 is 15.8% of average load 0.195658 LDB: Average compute 0.004398 is 2.2% of average load 0.195658 LDB: TIME 10939 LOAD: AVG 0.195658 MAX 0.215673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.109 MB LDB: TIME 10939 LOAD: AVG 0.195658 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: TIME 10939 LOAD: AVG 0.195658 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: ============== END OF LOAD BALANCING =============== 10939 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10939 PRESSURE: 3440400 -266.959 0.810572 158.971 0.810496 -96.1354 94.9489 158.97 94.9486 570.554 GPRESSURE: 3440400 -225.038 -26.8448 204.072 -49.8774 -23.9654 -19.491 81.6994 54.6762 544.029 PRESSAVG: 3440400 16.4145 35.479 40.925 35.479 -48.025 -9.9875 40.925 -9.98747 -35.4405 GPRESSAVG: 3440400 15.937 33.9429 41.225 32.9092 -46.7192 -11.1922 40.7036 -10.6025 -35.985 TIMING: 3440400 CPU: 10926.9, 0.00319403/step Wall: 10926.9, 0.00319403/step, 1.38373 hours remaining, 232.792969 MB of memory in use. ENERGY: 3440400 4011.0649 20486.5597 14464.3977 257.8372 -203097.6517 2531.7386 0.0000 0.0000 51899.9902 -109446.0634 298.2700 -161346.0536 -109082.4351 298.4940 69.1533 98.3419 763092.5584 -22.3503 -22.2557 PRESSURE: 3440600 -118.609 20.442 -247.218 20.4425 183.446 -67.1169 -247.218 -67.1174 91.737 GPRESSURE: 3440600 -134.554 89.6395 -300.093 -10.1729 211.205 -0.915687 -248.281 -127.94 150.673 PRESSAVG: 3440600 -13.6112 -28.3377 -21.8697 -28.3376 -7.81769 -3.61626 -21.8697 -3.61629 -3.66956 GPRESSAVG: 3440600 -13.9698 -25.3582 -22.7766 -26.5129 -8.29644 -4.35145 -19.4554 -3.20587 -2.784 TIMING: 3440600 CPU: 10927.5, 0.00311234/step Wall: 10927.5, 0.00311234/step, 1.34816 hours remaining, 232.996094 MB of memory in use. ENERGY: 3440600 3932.9835 20694.5047 14535.3949 239.6099 -203385.5734 2737.6533 0.0000 0.0000 51954.1774 -109291.2496 298.5814 -161245.4270 -108931.4510 299.2154 52.1914 75.7743 763931.1104 -8.3661 -8.3501 PRESSURE: 3440800 -263.455 79.9664 -197.238 79.9665 55.3804 33.1417 -197.238 33.1414 -120.091 GPRESSURE: 3440800 -226.97 28.111 -197.207 170.283 90.5713 15.0431 -147.815 97.2888 -92.6917 PRESSAVG: 3440800 -0.226847 -46.778 -33.1136 -46.778 -50.8001 -57.2042 -33.1136 -57.2041 -11.7399 GPRESSAVG: 3440800 0.604315 -47.4638 -34.3795 -45.0381 -51.8333 -55.8303 -32.3259 -56.7116 -11.7893 TIMING: 3440800 CPU: 10928.1, 0.003103/step Wall: 10928.1, 0.003103/step, 1.34394 hours remaining, 232.996094 MB of memory in use. ENERGY: 3440800 3932.5040 20655.9833 14530.3715 242.1287 -203174.6047 2418.5385 0.0000 0.0000 52030.5003 -109364.5785 299.0200 -161395.0788 -109009.1098 299.8659 -109.3886 -76.3634 763804.6122 -20.9223 -21.0061 PRESSURE: 3441000 421.647 -9.34986 181.614 -9.34921 -282.369 -244.212 181.613 -244.212 33.843 GPRESSURE: 3441000 404.053 -21.5001 251.595 -97.8754 -112.235 -208.946 30.1404 -122.697 -6.70912 PRESSAVG: 3441000 16.2036 -46.5815 -15.4594 -46.5815 -1.16381 -27.6262 -15.4594 -27.6261 -1.42424 GPRESSAVG: 3441000 15.2192 -47.387 -14.9975 -48.5641 0.852501 -26.474 -16.1381 -27.9729 -2.57722 TIMING: 3441000 CPU: 10928.8, 0.00312147/step Wall: 10928.8, 0.00312147/step, 1.35177 hours remaining, 232.996094 MB of memory in use. ENERGY: 3441000 3978.6139 20465.1867 14487.0443 255.6627 -203454.8773 2744.6411 0.0000 0.0000 51972.8480 -109550.8806 298.6887 -161523.7286 -109178.2654 299.1618 57.7071 95.0363 762260.6707 4.5385 4.4981 PRESSURE: 3441200 -26.4226 -83.3714 -103.069 -83.371 -36.0551 150.884 -103.069 150.885 -332.596 GPRESSURE: 3441200 -54.5648 -72.508 -146.056 -138.931 9.35764 126.327 -122.158 230.274 -268.376 PRESSAVG: 3441200 23.21 -9.36816 22.7067 -9.36816 -59.1316 -44.4884 22.7067 -44.4884 14.7361 GPRESSAVG: 3441200 22.3647 -10.0811 23.642 -9.56864 -60.1848 -46.7532 21.3206 -42.7838 16.4546 TIMING: 3441200 CPU: 10929.4, 0.00311654/step Wall: 10929.4, 0.00311654/step, 1.34946 hours remaining, 232.996094 MB of memory in use. ENERGY: 3441200 3991.5098 20651.4147 14460.5369 229.5530 -203489.8535 2634.4406 0.0000 0.0000 52079.7262 -109442.6722 299.3029 -161522.3985 -109087.2926 299.1211 -131.6913 -104.5277 761092.5710 -7.0618 -7.1218 PRESSURE: 3441400 -61.9706 -165.31 53.7357 -165.309 -310.938 -156.339 53.7354 -156.339 -199.774 GPRESSURE: 3441400 -70.2318 -157.403 48.712 -44.5797 -185.349 -104.562 3.81878 -171.682 -233.307 PRESSAVG: 3441400 -5.01721 -51.4797 -9.42389 -51.4797 -26.8256 2.79054 -9.42393 2.79051 -9.12508 GPRESSAVG: 3441400 -4.37502 -51.3852 -8.69649 -50.4695 -26.2782 3.86343 -10.1148 0.833664 -10.3311 TIMING: 3441400 CPU: 10930, 0.00311953/step Wall: 10930, 0.00311953/step, 1.35058 hours remaining, 232.996094 MB of memory in use. ENERGY: 3441400 4011.7112 20647.0702 14537.9184 244.5435 -203947.4724 2947.7030 0.0000 0.0000 52084.7907 -109473.7354 299.3320 -161558.5261 -109106.5282 299.4179 -190.8944 -162.9627 763379.1649 -13.6560 -13.6614 PRESSURE: 3441600 -102.596 -68.8133 160.95 -68.8135 230.236 208.091 160.95 208.092 350.504 GPRESSURE: 3441600 -20.3716 69.6714 93.8278 -107.717 163.637 169.469 49.1343 249.206 427.615 PRESSAVG: 3441600 -32.9276 -60.1053 -7.22573 -60.1053 -9.8369 0.359871 -7.22576 0.359849 9.53067 GPRESSAVG: 3441600 -33.1241 -58.7871 -7.13418 -60.6749 -9.69942 0.286425 -6.64318 -1.07681 9.62218 TIMING: 3441600 CPU: 10930.6, 0.0031237/step Wall: 10930.6, 0.0031237/step, 1.35222 hours remaining, 232.996094 MB of memory in use. ENERGY: 3441600 4034.2362 20532.3489 14590.9596 239.0789 -203453.9790 2726.7123 0.0000 0.0000 52119.9465 -109210.6965 299.5340 -161330.6431 -108849.6815 299.4942 159.3813 190.2934 762788.1140 -11.0779 -11.0671 PRESSURE: 3441800 30.8817 -156.978 46.9072 -156.978 -133.377 -140.823 46.9072 -140.823 91.2734 GPRESSURE: 3441800 108.675 42.0962 -41.9374 -49.3002 -64.0358 -159.646 85.7808 -212.352 24.9193 PRESSAVG: 3441800 39.4761 -30.4728 -18.5876 -30.4728 9.28189 -2.15172 -18.5877 -2.15169 -8.71212 GPRESSAVG: 3441800 39.6086 -31.3512 -19.2717 -29.5866 8.89828 -2.11801 -17.5057 -0.372624 -8.82071 TIMING: 3441800 CPU: 10931.3, 0.00313413/step Wall: 10931.3, 0.00313413/step, 1.35655 hours remaining, 232.996094 MB of memory in use. ENERGY: 3441800 3980.4065 20609.6645 14552.1394 247.0867 -203289.3789 2675.9582 0.0000 0.0000 52190.3523 -109033.7712 299.9387 -161224.1236 -108681.4157 299.8882 -3.7408 23.1862 763023.4971 13.3486 13.2287 PRESSURE: 3442000 63.5002 -104.488 177.266 -104.487 -129.706 -43.987 177.266 -43.9862 -259.563 GPRESSURE: 3442000 65.8673 -124.913 164.317 -247.318 -70.4492 -15.8575 76.3521 -92.6809 -233.78 PRESSAVG: 3442000 -9.21523 -42.1452 -10.9512 -42.1451 -13.7384 2.00853 -10.9512 2.00859 -13.5998 GPRESSAVG: 3442000 -9.34532 -43.7431 -10.6467 -42.8092 -13.4643 0.98601 -12.8816 1.64188 -13.6619 TIMING: 3442000 CPU: 10931.9, 0.00311872/step Wall: 10931.9, 0.00311872/step, 1.34971 hours remaining, 232.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3442000 3974.8585 20498.7453 14622.0126 238.6318 -203025.1585 2409.3068 0.0000 0.0000 52109.8544 -109171.7491 299.4760 -161281.6035 -108817.0299 299.9535 -108.5895 -79.4540 761781.6653 -12.1845 -12.1572 PRESSURE: 3442200 -186.004 -69.4138 75.6973 -69.4132 -104.495 -161.293 75.6972 -161.293 8.34474 GPRESSURE: 3442200 -160.559 -2.01485 104.074 -154.194 -125.924 -160.233 214.04 -28.2066 75.3426 PRESSAVG: 3442200 -27.4428 -46.3773 71.1045 -46.3773 6.39413 -46.8179 71.1044 -46.8181 -14.605 GPRESSAVG: 3442200 -25.3299 -44.5345 70.6577 -45.1255 4.93542 -45.8901 72.8463 -44.8949 -15.0404 TIMING: 3442200 CPU: 10932.5, 0.00313165/step Wall: 10932.5, 0.00313165/step, 1.35513 hours remaining, 232.996094 MB of memory in use. ENERGY: 3442200 3989.2499 20447.9874 14590.6556 252.8153 -202911.3761 2247.8130 0.0000 0.0000 52237.7025 -109145.1524 300.2108 -161382.8549 -108781.5507 299.2289 -94.0515 -70.3803 761942.1126 -11.8845 -11.8116 PRESSURE: 3442400 -133.643 241.957 -87.5942 241.957 -252.022 -132.17 -87.595 -132.17 -42.0352 GPRESSURE: 3442400 -72.3985 177.241 12.0617 126.404 -276.449 -219.182 -232.263 -145.893 15.1325 PRESSAVG: 3442400 44.6018 0.82821 -3.12638 0.828189 1.87543 -19.7528 -3.12642 -19.7528 -29.9952 GPRESSAVG: 3442400 43.947 -0.461318 -2.07754 -0.649405 1.65631 -19.7513 -3.77494 -20.8514 -29.2851 TIMING: 3442400 CPU: 10933.1, 0.0031059/step Wall: 10933.1, 0.0031059/step, 1.34382 hours remaining, 232.996094 MB of memory in use. ENERGY: 3442400 3937.9174 20529.1180 14543.3893 274.8470 -202900.3912 2473.5866 0.0000 0.0000 51963.0452 -109178.4877 298.6323 -161141.5329 -108816.4731 299.2999 -142.5668 -111.2383 762551.6213 5.4940 5.4394 PRESSURE: 3442600 284.108 49.0292 4.22031 49.0294 341.869 -147.378 4.22044 -147.377 136.753 GPRESSURE: 3442600 323.518 -9.37944 -18.6867 -29.5972 269.51 -179.9 -9.25651 -27.8852 260.489 PRESSAVG: 3442600 82.0646 -7.05135 4.04783 -7.05128 -91.1046 -7.83356 4.04788 -7.83356 13.1297 GPRESSAVG: 3442600 81.0034 -6.26986 3.23835 -5.87527 -90.7934 -7.91136 1.41814 -5.62177 14.0396 TIMING: 3442600 CPU: 10933.8, 0.00313085/step Wall: 10933.8, 0.00313085/step, 1.35444 hours remaining, 232.996094 MB of memory in use. ENERGY: 3442600 4015.4473 20652.9342 14581.7456 269.4034 -203530.1923 2894.6268 0.0000 0.0000 52086.2367 -109029.7983 299.3403 -161116.0350 -108676.2231 299.7659 254.2432 284.5055 759535.5220 1.3632 1.4165 PRESSURE: 3442800 369.089 61.6152 39.5332 61.6152 -346.797 75.1748 39.5326 75.1741 79.9452 GPRESSURE: 3442800 350.742 201.482 122.813 13.8342 -225.444 121.947 151.153 120.226 57.5402 PRESSAVG: 3442800 32.8011 38.1811 23.4686 38.1811 21.0591 -28.9565 23.4686 -28.9565 30.0062 GPRESSAVG: 3442800 33.5512 37.0851 24.2858 39.0125 20.4253 -29.9256 25.7729 -28.6209 29.816 TIMING: 3442800 CPU: 10934.4, 0.00312263/step Wall: 10934.4, 0.00312263/step, 1.35071 hours remaining, 232.996094 MB of memory in use. ENERGY: 3442800 4070.2946 20529.6654 14533.4225 236.3138 -203301.4194 2660.5690 0.0000 0.0000 52276.3299 -108994.8243 300.4328 -161271.1542 -108636.7188 300.2088 34.0788 60.9461 761017.7745 27.9555 27.9308 PRESSURE: 3443000 -265.303 -4.90755 -443.333 -4.90775 121.476 225.493 -443.333 225.492 41.8497 GPRESSURE: 3443000 -302.726 -92.7625 -373.587 24.8772 194.112 206.973 -387.027 85.7914 64.5252 PRESSAVG: 3443000 -20.5218 -3.3327 -12.0909 -3.33266 -12.7716 -4.61606 -12.091 -4.61606 -21.2158 GPRESSAVG: 3443000 -20.9012 -3.26522 -13.2997 -2.36032 -11.4839 -2.11827 -12.4942 -8.71858 -21.84 TIMING: 3443000 CPU: 10935, 0.00311942/step Wall: 10935, 0.00311942/step, 1.34915 hours remaining, 233.195312 MB of memory in use. ENERGY: 3443000 4007.7411 20690.0030 14582.8215 250.1217 -202934.0927 2365.6705 0.0000 0.0000 52031.9817 -109005.7532 299.0285 -161037.7349 -108649.4246 299.9661 -33.9924 -14.6963 761960.5866 -18.1697 -18.0750 PRESSURE: 3443200 101.227 9.2415 385.175 9.24072 -213.356 1.2366 385.175 1.2362 131.846 GPRESSURE: 3443200 119.358 -13.1958 360.254 69.4923 -137.634 -9.87684 226.824 91.867 114.33 PRESSAVG: 3443200 -27.0351 -23.9849 55.8142 -23.9849 23.3978 9.61678 55.8142 9.61675 21.6892 GPRESSAVG: 3443200 -28.103 -24.2424 55.2754 -25.266 24.7303 7.3514 55.3189 11.7409 21.7892 TIMING: 3443200 CPU: 10935.6, 0.00311443/step Wall: 10935.6, 0.00311443/step, 1.34682 hours remaining, 233.195312 MB of memory in use. ENERGY: 3443200 4039.9096 20585.1154 14636.5440 254.7324 -203177.4509 2539.4560 0.0000 0.0000 52162.8291 -108958.8645 299.7805 -161121.6935 -108584.6934 300.3563 6.5721 32.0180 760631.0189 6.0173 6.1389 PRESSURE: 3443400 -133.924 19.4176 91.6145 19.4178 -278.053 -183.048 91.6144 -183.05 572.647 GPRESSURE: 3443400 -49.0694 91.0544 138.064 36.4305 -248.836 -104.478 84.1592 -209.551 551.272 PRESSAVG: 3443400 -6.11615 -49.2747 37.0582 -49.2747 -18.4407 -7.86122 37.0582 -7.86123 -7.31401 GPRESSAVG: 3443400 -5.02736 -48.3885 37.5707 -49.9223 -19.5215 -6.51668 36.9877 -8.61702 -7.31333 TIMING: 3443400 CPU: 10936.3, 0.00311099/step Wall: 10936.3, 0.00311099/step, 1.34516 hours remaining, 233.195312 MB of memory in use. ENERGY: 3443400 3986.1703 20504.6552 14580.6406 260.3498 -202948.7103 2618.8821 0.0000 0.0000 52086.4448 -108911.5674 299.3415 -160998.0122 -108538.0831 300.3666 53.5565 84.4555 763173.4304 -10.6236 -10.6207 PRESSURE: 3443600 -200.499 25.542 -201.534 25.5418 -311.212 83.6744 -201.535 83.6742 36.0328 GPRESSURE: 3443600 -80.1108 2.88575 -253.637 -8.84226 -304.743 74.2658 -117.341 98.4989 -14.245 PRESSAVG: 3443600 54.2621 -30.1401 -103.624 -30.1401 -57.7303 -21.3857 -103.624 -21.3856 17.9177 GPRESSAVG: 3443600 52.3567 -30.1472 -104.493 -29.7771 -56.4127 -20.943 -101.057 -21.8484 18.0795 TIMING: 3443600 CPU: 10936.9, 0.00311594/step Wall: 10936.9, 0.00311594/step, 1.34712 hours remaining, 233.195312 MB of memory in use. ENERGY: 3443600 4012.8558 20560.4393 14523.7837 258.2873 -203013.8275 2290.0496 0.0000 0.0000 52358.6542 -109009.7577 300.9059 -161368.4119 -108653.1280 299.8567 -158.5593 -133.0330 762075.0869 4.8165 4.6745 PRESSURE: 3443800 -36.9686 -6.85866 -267.087 -6.85924 202.461 -146.592 -267.087 -146.592 -170.031 GPRESSURE: 3443800 74.5002 55.6824 -282.825 43.6599 202.846 -148.199 -171.928 -65.912 -175.63 PRESSAVG: 3443800 18.6157 -11.5222 -37.5421 -11.5222 -2.01657 -21.6462 -37.5421 -21.6462 -14.0041 GPRESSAVG: 3443800 20.7746 -11.308 -37.1599 -11.2602 -3.6413 -22.5002 -38.4291 -21.2201 -14.7133 TIMING: 3443800 CPU: 10937.5, 0.00311524/step Wall: 10937.5, 0.00311524/step, 1.34665 hours remaining, 233.195312 MB of memory in use. ENERGY: 3443800 3913.4808 20630.7897 14544.8227 250.1153 -203019.7633 2430.3297 0.0000 0.0000 52281.7663 -108968.4588 300.4640 -161250.2251 -108615.2889 299.8426 -1.5127 33.9053 761938.2344 0.8650 0.8067 PRESSURE: 3444000 84.1741 -137.737 366.055 -137.738 -181.451 117.226 366.055 117.226 318.098 GPRESSURE: 3444000 73.8739 -89.9629 312.633 -136.981 -122.584 109.5 325.068 83.0716 356.303 PRESSAVG: 3444000 33.6745 26.2676 41.6318 26.2676 -57.6495 -3.35508 41.6318 -3.3551 9.97244 GPRESSAVG: 3444000 33.2412 26.367 41.9111 25.1762 -57.6386 -2.28838 41.1343 -2.84673 10.6641 TIMING: 3444000 CPU: 10938.1, 0.0031274/step Wall: 10938.1, 0.0031274/step, 1.35173 hours remaining, 233.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3444000 4030.3213 20484.5760 14625.0118 264.1980 -203115.2442 2459.1337 0.0000 0.0000 52094.7222 -109157.2812 299.3891 -161252.0034 -108785.4207 299.6741 73.6070 102.5310 762164.8118 -4.6675 -4.5778 PRESSURE: 3444200 -139.221 -182.853 46.5133 -182.853 35.0943 -26.5546 46.5147 -26.5535 -290.965 GPRESSURE: 3444200 -27.3113 -118.84 53.0835 -233.621 27.3108 72.4509 56.1163 44.6306 -301.658 PRESSAVG: 3444200 -34.4607 -63.8359 -2.98035 -63.8359 -20.0088 23.3948 -2.9804 23.3949 8.49358 GPRESSAVG: 3444200 -33.7292 -62.9516 -2.39599 -63.1853 -20.159 22.4636 -2.60645 22.7746 7.98797 TIMING: 3444200 CPU: 10938.8, 0.00313292/step Wall: 10938.8, 0.00313292/step, 1.35394 hours remaining, 233.195312 MB of memory in use. ENERGY: 3444200 4008.6282 20501.9002 14508.2808 254.1753 -203079.6236 2425.9039 0.0000 0.0000 52255.4675 -109125.2677 300.3129 -161380.7352 -108763.0507 299.9736 -131.6973 -100.5528 760641.5211 -15.3253 -15.3001 LDB: ============= START OF LOAD BALANCING ============== 10951.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10951.2 LDB: =============== DONE WITH MIGRATION ================ 10951.2 LDB: ============= START OF LOAD BALANCING ============== 10951.5 LDB: Largest compute 7041 load 0.029218 is 14.9% of average load 0.195576 LDB: Average compute 0.004403 is 2.3% of average load 0.195576 LDB: TIME 10951.5 LOAD: AVG 0.195576 MAX 0.219201 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.871 MB LDB: TIME 10951.5 LOAD: AVG 0.195576 MAX 0.219201 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.07 MB LDB: TIME 10951.5 LOAD: AVG 0.195576 MAX 0.215814 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.07 MB LDB: ============== END OF LOAD BALANCING =============== 10951.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10951.5 PRESSURE: 3444400 253.534 71.9325 79.5505 71.9322 168.248 -86.4717 79.5503 -86.4715 -46.0979 GPRESSURE: 3444400 263.452 81.5585 152.236 17.5854 205.551 -96.2623 47.6835 -116.475 7.98945 PRESSAVG: 3444400 38.0088 -28.2882 -7.37946 -28.2882 -7.41208 -32.4779 -7.37946 -32.4779 -1.81338 GPRESSAVG: 3444400 37.8197 -30.5917 -6.66924 -29.9494 -6.05287 -32.1346 -9.37178 -32.7154 -2.38806 TIMING: 3444400 CPU: 10939.4, 0.00321374/step Wall: 10939.4, 0.00321374/step, 1.38869 hours remaining, 231.699219 MB of memory in use. ENERGY: 3444400 4064.0420 20565.2189 14541.1957 251.0267 -203671.8538 2810.3200 0.0000 0.0000 52138.9222 -109301.1282 299.6431 -161440.0504 -108947.1086 299.9702 125.2280 158.9975 761838.8365 9.5944 9.7929 PRESSURE: 3444600 -3.20416 -64.4883 -97.6145 -64.4889 556.67 172.823 -97.6144 172.822 173.466 GPRESSURE: 3444600 50.8191 -84.108 -189.502 13.5125 496.681 181.809 -58.3971 305.758 251.392 PRESSAVG: 3444600 23.5761 -66.9217 11.4665 -66.9217 35.7443 14.4938 11.4665 14.4937 21.8148 GPRESSAVG: 3444600 22.9185 -62.6382 11.4565 -66.4444 35.2728 13.5451 14.1642 15.9038 22.3194 TIMING: 3444600 CPU: 10940, 0.00313695/step Wall: 10940, 0.00313695/step, 1.35534 hours remaining, 231.699219 MB of memory in use. ENERGY: 3444600 4052.2162 20544.3924 14592.3012 241.5745 -203287.3007 2433.8219 0.0000 0.0000 52196.2744 -109226.7200 299.9727 -161422.9944 -108868.7006 299.8715 242.3105 266.2972 760755.9288 27.0451 26.8369 PRESSURE: 3444800 -300.361 -66.8286 -53.0957 -66.8285 -349.169 60.4975 -53.0957 60.4986 -169.102 GPRESSURE: 3444800 -243.183 -118.973 -44.1044 -141.441 -315.174 60.8483 -69.0046 -78.3065 -156.788 PRESSAVG: 3444800 -29.1164 -32.9961 -39.4398 -32.9961 -6.91673 -17.1398 -39.4397 -17.1397 7.79424 GPRESSAVG: 3444800 -27.9285 -34.1891 -40.0835 -34.4913 -8.20138 -16.9143 -39.5871 -17.5802 7.86735 TIMING: 3444800 CPU: 10940.7, 0.00312769/step Wall: 10940.7, 0.00312769/step, 1.35116 hours remaining, 231.769531 MB of memory in use. ENERGY: 3444800 3992.3262 20601.8998 14525.1984 230.8456 -202975.2053 2473.6857 0.0000 0.0000 51978.5588 -109172.6907 298.7215 -161151.2495 -108808.7323 299.4888 -272.8774 -238.3819 762255.0351 -9.4130 -9.4208 PRESSURE: 3445000 523.556 -89.4401 -420.869 -89.4404 404.992 48.4056 -420.87 48.4054 745.147 GPRESSURE: 3445000 510.64 -99.1809 -410.275 -171.146 554.088 85.7725 -333.626 64.091 677.989 PRESSAVG: 3445000 -13.1777 -15.6329 7.95636 -15.6328 6.46235 -29.6035 7.95631 -29.6035 12.7812 GPRESSAVG: 3445000 -14.9223 -16.4354 8.58996 -14.6206 6.94379 -29.2409 8.11329 -30.0479 14.3767 TIMING: 3445000 CPU: 10941.3, 0.00315968/step Wall: 10941.3, 0.00315968/step, 1.36481 hours remaining, 231.769531 MB of memory in use. ENERGY: 3445000 3933.9629 20398.1320 14560.5927 257.3684 -203586.1913 3177.7317 0.0000 0.0000 51909.3055 -109349.0982 298.3235 -161258.4037 -109002.1843 299.5385 557.8982 580.9059 763030.7337 2.0219 2.1327 PRESSURE: 3445200 421.2 -114.044 178.226 -114.043 -169.887 249.93 178.227 249.93 18.5474 GPRESSURE: 3445200 361.69 -150.813 147.423 -20.998 -54.5731 211.575 30.5544 351.403 37.1026 PRESSAVG: 3445200 -17.3448 23.537 -12.5738 23.5369 38.0043 -7.17081 -12.5738 -7.17076 26.1245 GPRESSAVG: 3445200 -16.7753 23.013 -11.6536 25.9695 38.1829 -7.54993 -15.0101 -7.61352 25.3794 TIMING: 3445200 CPU: 10941.9, 0.00316154/step Wall: 10941.9, 0.00316154/step, 1.36544 hours remaining, 231.769531 MB of memory in use. ENERGY: 3445200 3924.7948 20483.5790 14607.3034 253.5399 -202808.8030 2328.8191 0.0000 0.0000 52010.0299 -109200.7370 298.9024 -161210.7669 -108839.8877 299.3015 89.9532 114.7397 762964.6833 15.5947 15.5956 PRESSURE: 3445400 -243.46 56.5323 29.3854 56.5326 17.8386 -231.923 29.3855 -231.922 -225.722 GPRESSURE: 3445400 -238.198 -15.7666 53.2201 114.076 111.097 -168.73 76.3843 -245.516 -238.583 PRESSAVG: 3445400 -20.687 -27.2981 0.347217 -27.2981 -16.6902 -21.2537 0.347266 -21.2538 -1.903 GPRESSAVG: 3445400 -19.406 -26.3373 0.0808688 -29.6192 -17.2671 -20.3552 0.191784 -19.8888 -2.35808 TIMING: 3445400 CPU: 10942.6, 0.00316798/step Wall: 10942.6, 0.00316798/step, 1.36804 hours remaining, 231.769531 MB of memory in use. ENERGY: 3445400 4012.4790 20512.1551 14486.6797 269.7419 -203198.0430 2615.2018 0.0000 0.0000 52142.9920 -109158.7936 299.6665 -161301.7856 -108799.2419 299.5761 -150.4480 -121.8945 762914.3778 -13.0934 -13.0104 PRESSURE: 3445600 -44.9958 -103.183 -118.765 -103.182 -201.217 127.627 -118.765 127.627 -165.718 GPRESSURE: 3445600 7.33407 -120.059 -38.6853 -19.3994 -199.962 131.736 -20.743 59.113 -126.645 PRESSAVG: 3445600 56.2951 -17.1977 -11.4192 -17.1977 17.1758 43.5382 -11.4193 43.5382 -18.3756 GPRESSAVG: 3445600 54.759 -19.1661 -11.7644 -15.0314 18.4196 41.8392 -10.6376 41.7147 -17.4541 TIMING: 3445600 CPU: 10943.2, 0.00316508/step Wall: 10943.2, 0.00316508/step, 1.36661 hours remaining, 231.769531 MB of memory in use. ENERGY: 3445600 3946.9379 20483.7782 14523.3181 252.5992 -202983.7957 2220.1699 0.0000 0.0000 52206.2064 -109350.7859 300.0298 -161556.9924 -108996.0071 299.5630 -137.3103 -106.4244 762182.6552 18.3651 18.5748 PRESSURE: 3445800 -83.3494 -88.7283 121.862 -88.7286 -178.266 -55.3743 121.862 -55.374 105.873 GPRESSURE: 3445800 -39.3829 -75.9657 146.009 -106.396 -136.922 -24.5463 99.9182 5.14811 88.299 PRESSAVG: 3445800 22.3131 13.3454 -30.3151 13.3455 12.2843 -29.6613 -30.3151 -29.6613 0.768519 GPRESSAVG: 3445800 23.5751 14.0723 -30.4074 13.0112 12.0177 -27.7497 -29.0086 -28.3647 -0.46326 TIMING: 3445800 CPU: 10943.8, 0.00313851/step Wall: 10943.8, 0.00313851/step, 1.35497 hours remaining, 231.769531 MB of memory in use. ENERGY: 3445800 3972.9450 20549.0113 14528.5771 262.4852 -203333.4810 2658.1360 0.0000 0.0000 51798.8784 -109563.4480 297.6889 -161362.3264 -109197.9490 298.9690 -51.9141 -29.3354 762797.5148 11.7886 11.7098 PRESSURE: 3446000 126.529 34.0986 408.293 34.0986 -159.576 -117.163 408.293 -117.165 -175.786 GPRESSURE: 3446000 160.437 -113.985 387.11 23.8783 -102.015 -66.3733 253.658 -121.353 -166.567 PRESSAVG: 3446000 26.8254 -12.5059 -29.5487 -12.5058 -2.1901 -8.5953 -29.5486 -8.59529 -4.4062 GPRESSAVG: 3446000 25.6217 -12.8903 -29.5146 -11.9415 -1.71228 -9.87687 -31.4741 -8.51709 -4.02962 TIMING: 3446000 CPU: 10944.4, 0.00315161/step Wall: 10944.4, 0.00315161/step, 1.36045 hours remaining, 231.769531 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: 3446000 4034.3785 20415.5175 14552.3147 250.9345 -203284.2948 2405.0845 0.0000 0.0000 52018.7375 -109607.3275 298.9524 -161626.0650 -109245.8330 298.5042 -69.6111 -36.0483 760704.9118 6.7430 6.6266 PRESSURE: 3446200 -5.33201 -90.9679 90.0655 -90.9684 218.892 -14.4664 90.0661 -14.4654 323.249 GPRESSURE: 3446200 89.6942 -1.706 44.7796 -79.3116 199.706 -52.4256 111.557 104.948 318.651 PRESSAVG: 3446200 35.0355 1.78324 -49.7903 1.78324 -45.9086 22.7592 -49.7903 22.7592 11.3397 GPRESSAVG: 3446200 34.3484 1.19287 -51.1126 1.60719 -46.2706 23.1338 -48.24 22.8732 11.7641 TIMING: 3446200 CPU: 10945.1, 0.00316691/step Wall: 10945.1, 0.00316691/step, 1.36687 hours remaining, 231.769531 MB of memory in use. ENERGY: 3446200 3901.4297 20538.1757 14494.0628 273.4035 -203456.3182 2562.2607 0.0000 0.0000 51964.7185 -109722.2674 298.6420 -161686.9859 -109372.1762 298.3306 178.9363 202.6837 761425.4232 0.1556 -0.0527 PRESSURE: 3446400 390.154 88.8517 141.821 88.8522 128.475 -107.703 141.821 -107.704 132.368 GPRESSURE: 3446400 452.022 126.909 166.261 -12.4231 181.97 -150.532 213.251 -55.6697 94.6722 PRESSAVG: 3446400 5.63196 -17.7868 24.7613 -17.7868 -40.6967 12.128 24.7613 12.1279 35.8875 GPRESSAVG: 3446400 6.59728 -15.4963 25.7836 -18.6254 -40.6938 12.0899 23.7338 12.4232 35.0113 TIMING: 3446400 CPU: 10945.7, 0.00315454/step Wall: 10945.7, 0.00315454/step, 1.36136 hours remaining, 231.769531 MB of memory in use. ENERGY: 3446400 3985.4881 20421.3736 14529.7354 253.6173 -203889.0088 3000.0535 0.0000 0.0000 52196.1111 -109502.6297 299.9718 -161698.7408 -109149.6860 299.1426 216.9989 242.8883 760551.1427 0.2742 0.3049 PRESSURE: 3446600 325.52 -133.166 -154.062 -133.166 -177.998 -358.557 -154.061 -358.558 548.946 GPRESSURE: 3446600 288.053 -63.2662 -189.568 -92.9271 -112.469 -287.787 64.1513 -231.689 603.373 PRESSAVG: 3446600 72.4514 -38.3149 13.5706 -38.3149 -78.371 -37.1773 13.5706 -37.1772 14.4979 GPRESSAVG: 3446600 71.9703 -39.9182 13.7868 -37.5835 -78.303 -36.5181 14.4329 -36.8079 14.9817 TIMING: 3446600 CPU: 10946.3, 0.00312976/step Wall: 10946.3, 0.00312976/step, 1.35049 hours remaining, 231.769531 MB of memory in use. ENERGY: 3446600 3980.0464 20492.5395 14602.5282 265.7708 -203595.8182 2644.8677 0.0000 0.0000 51939.9958 -109670.0697 298.4999 -161610.0656 -109302.5888 299.0409 232.1560 259.6526 761311.0141 2.8594 2.8830 PRESSURE: 3446800 69.255 -137.133 -153.652 -137.132 -83.4805 -38.0268 -153.653 -38.0254 101.441 GPRESSURE: 3446800 64.4941 -75.1669 -242.581 -40.8492 23.647 27.0656 -84.8323 -56.9322 107.568 PRESSAVG: 3446800 42.5933 -14.9134 -5.31949 -14.9135 -49.6798 -49.4808 -5.31946 -49.4808 -25.4752 GPRESSAVG: 3446800 41.6073 -14.8431 -6.79142 -14.3708 -48.5821 -51.0756 -3.42963 -49.6742 -25.417 TIMING: 3446800 CPU: 10947, 0.00316475/step Wall: 10947, 0.00316475/step, 1.36541 hours remaining, 231.769531 MB of memory in use. ENERGY: 3446800 3972.5502 20497.4249 14501.1546 270.6207 -202893.6061 2223.0294 0.0000 0.0000 51973.0660 -109455.7604 298.6899 -161428.8264 -109094.3967 298.5170 29.0720 65.2365 761182.2808 -10.8539 -10.7973 PRESSURE: 3447000 -49.2237 -4.89486 -220.084 -4.8946 -71.1871 85.8945 -220.084 85.8955 -161.849 GPRESSURE: 3447000 5.77203 -65.2667 -227.483 35.3722 -142.194 144.507 -175.778 -66.8387 -71.6934 PRESSAVG: 3447000 6.40123 -17.2598 -4.50127 -17.2598 -11.4716 -3.76175 -4.5013 -3.76163 18.329 GPRESSAVG: 3447000 7.89485 -15.4799 -4.16097 -18.5634 -13.5503 -2.90236 -5.36365 -4.66374 18.3445 TIMING: 3447000 CPU: 10947.6, 0.00314828/step Wall: 10947.6, 0.00314828/step, 1.35813 hours remaining, 231.769531 MB of memory in use. ENERGY: 3447000 3970.8414 20501.6402 14540.9081 258.2522 -203075.9339 2288.7754 0.0000 0.0000 51987.7672 -109527.7494 298.7744 -161515.5166 -109173.0595 298.1379 -94.0866 -69.3717 760190.2696 4.4195 4.2297 PRESSURE: 3447200 -355.669 -81.5794 78.0345 -81.5792 -290.375 -80.1539 78.0341 -80.1539 98.5795 GPRESSURE: 3447200 -293.378 149.545 -8.50661 -77.6953 -290.564 -59.175 25.6504 -154.294 108.209 PRESSAVG: 3447200 -4.54469 -86.2206 -62.4033 -86.2206 31.8066 -22.6962 -62.4033 -22.6962 -7.45978 GPRESSAVG: 3447200 -6.99115 -86.794 -60.921 -85.2357 33.3043 -20.9514 -63.1227 -23.7344 -7.12275 TIMING: 3447200 CPU: 10948.2, 0.00312892/step Wall: 10948.2, 0.00312892/step, 1.34961 hours remaining, 231.769531 MB of memory in use. ENERGY: 3447200 3939.7761 20453.3212 14533.6629 237.8378 -203596.1484 2675.0503 0.0000 0.0000 52168.4704 -109588.0297 299.8129 -161756.5001 -109231.4676 299.0408 -182.4883 -158.5776 760334.7339 6.6007 6.3968 PRESSURE: 3447400 48.9043 32.1558 51.1777 32.1554 -83.4919 251.634 51.1777 251.634 -160.809 GPRESSURE: 3447400 85.4096 -5.63008 134.137 -39.7303 -13.2215 262.154 8.53957 200.655 -182.323 PRESSAVG: 3447400 10.0381 -53.0633 32.7252 -53.0632 -15.5942 34.5932 32.7252 34.5931 -21.0557 GPRESSAVG: 3447400 12.5536 -54.395 31.2677 -52.6145 -16.4484 34.454 33.6673 35.7996 -22.6527 TIMING: 3447400 CPU: 10948.9, 0.00313827/step Wall: 10948.9, 0.00313827/step, 1.35347 hours remaining, 231.769531 MB of memory in use. ENERGY: 3447400 3967.6709 20392.3468 14514.8415 243.9721 -203155.4435 2565.6237 0.0000 0.0000 51932.1875 -109538.8009 298.4550 -161470.9884 -109177.1665 298.7364 -65.1321 -36.7117 761484.3364 -8.8706 -8.8492 PRESSURE: 3447600 -7.65745 -125.337 146.376 -125.337 -152.272 -240.924 146.377 -240.924 13.4409 GPRESSURE: 3447600 -32.2681 20.3646 53.0664 -260.054 -65.09 -255.352 4.78202 -103.598 47.1412 PRESSAVG: 3447600 22.9781 -29.2619 -25.5342 -29.2619 -27.3026 31.6945 -25.5343 31.6944 35.7153 GPRESSAVG: 3447600 22.5115 -30.2287 -25.5745 -30.2807 -26.757 31.0247 -26.5141 30.4285 35.1754 TIMING: 3447600 CPU: 10949.5, 0.00314599/step Wall: 10949.5, 0.00314599/step, 1.35662 hours remaining, 231.769531 MB of memory in use. ENERGY: 3447600 3906.9146 20443.2041 14464.4035 246.7210 -203454.6055 2572.8859 0.0000 0.0000 51890.5550 -109929.9214 298.2157 -161820.4764 -109566.9752 298.5046 -48.8297 -16.7390 759681.1345 10.4636 10.3100 PRESSURE: 3447800 40.569 -131.192 81.3936 -131.193 -44.5342 -236.903 81.3937 -236.903 134.183 GPRESSURE: 3447800 87.8247 -121.074 110.456 44.1595 31.4276 -245.533 153.035 -138.397 103.972 PRESSAVG: 3447800 53.9121 -39.2746 8.28458 -39.2747 -38.054 -2.13059 8.28445 -2.13065 -13.5118 GPRESSAVG: 3447800 53.1424 -37.1291 8.14609 -38.9077 -38.6953 -2.45359 8.90577 -1.47677 -12.2864 TIMING: 3447800 CPU: 10950.1, 0.00313843/step Wall: 10950.1, 0.00313843/step, 1.35319 hours remaining, 231.769531 MB of memory in use. ENERGY: 3447800 4028.5969 20475.7639 14573.6411 236.9528 -203541.9739 2744.1528 0.0000 0.0000 51804.3334 -109678.5330 297.7202 -161482.8664 -109324.2368 298.6093 43.4060 74.4082 760560.0113 0.7821 0.7202 PRESSURE: 3448000 -458.739 46.143 81.0843 46.1428 -153.242 -30.4116 81.0846 -30.4115 -1.95027 GPRESSURE: 3448000 -324.042 -32.0758 99.159 6.43135 -132.582 -74.6603 121.176 -10.7041 -83.1429 PRESSAVG: 3448000 34.9027 -25.6837 20.1199 -25.6836 -25.8034 -3.2789 20.1198 -3.27887 17.0595 GPRESSAVG: 3448000 36.7562 -27.5716 22.1497 -24.9194 -26.6971 -3.17622 19.9535 -1.41626 15.9767 TIMING: 3448000 CPU: 10950.7, 0.00313337/step Wall: 10950.7, 0.00313337/step, 1.35083 hours remaining, 231.769531 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: 3448000 4083.4524 20489.2260 14550.4394 231.3186 -203503.7373 2765.0819 0.0000 0.0000 51864.4279 -109519.7911 298.0656 -161384.2191 -109162.5587 298.4091 -204.6437 -179.9225 761169.9899 8.7196 8.6786 PRESSURE: 3448200 96.85 -107.428 -210.311 -107.428 -48.2098 66.2932 -210.311 66.2932 5.48076 GPRESSURE: 3448200 160.181 -22.3968 -264.925 -47.7423 -0.507938 118.613 -140.261 35.0756 -36.0728 PRESSAVG: 3448200 -28.1933 -23.8834 31.1597 -23.8834 62.1515 -6.2337 31.1598 -6.23375 -10.1479 GPRESSAVG: 3448200 -28.8168 -23.3434 29.5514 -23.4906 62.6633 -4.85205 31.9135 -8.98902 -9.42317 TIMING: 3448200 CPU: 10951.4, 0.00311341/step Wall: 10951.4, 0.00311341/step, 1.34205 hours remaining, 231.769531 MB of memory in use. ENERGY: 3448200 3967.5957 20689.6751 14568.0278 242.1881 -203823.8515 2796.4285 0.0000 0.0000 51944.4353 -109615.5011 298.5254 -161559.9364 -109250.0223 298.8928 18.0403 41.2000 761049.8777 7.9368 8.1411 LDB: ============= START OF LOAD BALANCING ============== 10963.8 LDB: ============== END OF LOAD BALANCING =============== 10963.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10963.8 LDB: ============= START OF LOAD BALANCING ============== 10964.1 LDB: Largest compute 7041 load 0.029819 is 15.2% of average load 0.195592 LDB: Average compute 0.004387 is 2.2% of average load 0.195592 LDB: TIME 10964.1 LOAD: AVG 0.195592 MAX 0.215737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.074 MB LDB: TIME 10964.1 LOAD: AVG 0.195592 MAX 0.215737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 10964.1 LOAD: AVG 0.195592 MAX 0.215737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 10964.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10964.1 PRESSURE: 3448400 452.773 -35.401 124.536 -35.4009 0.954937 -115.225 124.536 -115.225 -89.4687 GPRESSURE: 3448400 467.331 1.2855 94.7924 -59.1648 -28.2061 -89.6167 106.577 -71.811 6.81168 PRESSAVG: 3448400 18.6199 41.0715 38.213 41.0715 -17.7011 -36.3018 38.213 -36.3017 21.7045 GPRESSAVG: 3448400 18.8129 41.575 38.0952 40.2069 -17.7758 -36.8974 37.3439 -36.425 21.7272 TIMING: 3448400 CPU: 10952, 0.00318041/step Wall: 10952, 0.00318041/step, 1.37075 hours remaining, 235.417969 MB of memory in use. ENERGY: 3448400 3983.7173 20711.3503 14556.3477 262.2616 -203685.2513 2681.3321 0.0000 0.0000 51846.5050 -109643.7372 297.9626 -161490.2422 -109278.2151 298.7921 121.4196 148.6455 761345.6129 7.5411 7.5881 PRESSURE: 3448600 -85.3605 -37.2329 -43.0791 -37.2321 -298.201 168.421 -43.0792 168.421 -159.481 GPRESSURE: 3448600 -102.087 -2.62026 106.922 82.0646 -220.821 -8.54039 -171.143 180.278 -150.191 PRESSAVG: 3448600 60.7614 -22.3338 3.78438 -22.3338 -61.7824 28.0677 3.78437 28.0677 -1.13129 GPRESSAVG: 3448600 61.1367 -22.3558 4.3968 -20.3062 -61.9575 28.6418 2.63335 27.9281 -1.66669 TIMING: 3448600 CPU: 10952.6, 0.00311281/step Wall: 10952.6, 0.00311281/step, 1.34145 hours remaining, 235.621094 MB of memory in use. ENERGY: 3448600 3975.1342 20347.9127 14559.4861 242.4622 -202971.3073 2196.9603 0.0000 0.0000 51924.3205 -109725.0312 298.4098 -161649.3517 -109360.2357 298.5816 -181.0140 -157.6994 761081.6495 -0.7174 -0.8292 PRESSURE: 3448800 65.9264 -84.7495 153.663 -84.7492 70.0718 107.78 153.663 107.779 578.928 GPRESSURE: 3448800 129.821 -87.4164 124.788 -47.7058 105.188 101.912 170.329 58.9715 568.701 PRESSAVG: 3448800 0.0722257 -26.9875 -13.5457 -26.9875 -10.86 5.44481 -13.5457 5.44481 0.310355 GPRESSAVG: 3448800 -0.171896 -25.0709 -12.9326 -27.7262 -10.668 5.35669 -13.2333 6.63496 -0.142068 TIMING: 3448800 CPU: 10953.2, 0.00313928/step Wall: 10953.2, 0.00313928/step, 1.35268 hours remaining, 235.621094 MB of memory in use. ENERGY: 3448800 3985.1553 20455.2785 14589.0381 252.2481 -203617.5820 2937.7897 0.0000 0.0000 51812.6806 -109585.3917 297.7682 -161398.0723 -109236.6303 298.3940 238.3087 267.9033 759495.6474 -3.4925 -3.6607 PRESSURE: 3449000 60.6633 201.223 48.2009 201.223 125.311 22.0059 48.2018 22.0064 250.774 GPRESSURE: 3449000 101.656 127.39 11.8144 135.628 149.346 48.8933 111.306 35.56 265.82 PRESSAVG: 3449000 37.3938 -35.684 29.8418 -35.6841 -33.4728 -6.59735 29.8418 -6.59735 -7.58561 GPRESSAVG: 3449000 36.6033 -37.8899 29.7412 -36.2365 -34.3079 -6.61242 32.0128 -7.45446 -5.83075 TIMING: 3449000 CPU: 10953.9, 0.00312925/step Wall: 10953.9, 0.00312925/step, 1.34819 hours remaining, 235.621094 MB of memory in use. ENERGY: 3449000 3960.1422 20549.3287 14548.3785 266.2956 -203934.4221 2920.3048 0.0000 0.0000 52257.2740 -109432.6982 300.3233 -161689.9722 -109068.7173 298.7830 145.5828 172.2738 760397.3593 -1.2215 -1.1785 PRESSURE: 3449200 179.921 64.7138 17.0189 64.7142 280.804 -208.182 17.0186 -208.181 101.149 GPRESSURE: 3449200 285.885 69.8913 38.6846 79.2516 213.272 -117.591 -0.216257 -147.164 149.5 PRESSAVG: 3449200 33.0485 -87.4138 35.7696 -87.4139 -13.7473 28.1578 35.7696 28.1578 -1.60461 GPRESSAVG: 3449200 34.6821 -86.7228 35.2726 -87.479 -14.6341 27.1283 36.0104 28.4323 -2.2376 TIMING: 3449200 CPU: 10954.5, 0.00313114/step Wall: 10954.5, 0.00313114/step, 1.34883 hours remaining, 235.621094 MB of memory in use. ENERGY: 3449200 4014.3368 20643.0195 14498.1808 257.0171 -203418.1382 2640.7234 0.0000 0.0000 52076.0988 -109288.7617 299.2821 -161364.8605 -108932.9431 299.3985 187.2912 216.2190 761632.3571 5.8989 5.9368 PRESSURE: 3449400 105.986 -119.607 167.051 -119.607 -244.108 -157.256 167.052 -157.257 205.049 GPRESSURE: 3449400 120.103 -184.071 188.908 -184.471 -194.703 -155.169 66.3207 -236.118 231.471 PRESSAVG: 3449400 46.8436 -12.962 32.183 -12.962 -42.7972 -13.6888 32.1831 -13.6888 0.675807 GPRESSAVG: 3449400 45.8829 -12.8445 32.8613 -13.8043 -40.8314 -12.3112 30.6204 -14.0455 0.366271 TIMING: 3449400 CPU: 10955.1, 0.0031378/step Wall: 10955.1, 0.0031378/step, 1.35152 hours remaining, 235.621094 MB of memory in use. ENERGY: 3449400 4000.0624 20649.1142 14523.6610 246.0891 -203519.8765 2531.4126 0.0000 0.0000 52379.6633 -109189.8739 301.0266 -161569.5372 -108819.2067 300.0379 22.3090 52.2904 761722.4366 1.5741 1.8059 PRESSURE: 3449600 -71.2836 -57.3747 87.3541 -57.3747 331.43 3.17673 87.3537 3.17769 404.389 GPRESSURE: 3449600 33.5251 -98.6477 32.9789 -175.347 329.021 0.729057 153.078 17.5366 392.57 PRESSAVG: 3449600 2.22455 -81.9466 46.1008 -81.9466 -30.9674 -4.8074 46.1008 -4.8074 8.09438 GPRESSAVG: 3449600 3.15854 -82.1004 45.4116 -81.1526 -32.5446 -6.41744 47.1023 -4.84122 8.55953 TIMING: 3449600 CPU: 10955.8, 0.00315057/step Wall: 10955.8, 0.00315057/step, 1.35685 hours remaining, 235.621094 MB of memory in use. ENERGY: 3449600 4027.9801 20555.4350 14567.8501 239.7599 -203529.8405 2598.5721 0.0000 0.0000 52265.2145 -109275.0289 300.3689 -161540.2434 -108902.3780 299.5659 221.5118 251.7054 761196.3413 -6.8828 -6.9422 PRESSURE: 3449800 225.22 20.2696 -0.572604 20.2696 -314.233 17.3877 -0.573121 17.3888 56.394 GPRESSURE: 3449800 273.254 -2.21341 80.1596 12.4839 -201.522 -26.7151 -69.4917 52.3162 -24.5867 PRESSAVG: 3449800 6.00139 -24.119 22.7613 -24.119 15.5596 55.4571 22.7612 55.4572 7.95628 GPRESSAVG: 3449800 6.25209 -24.0859 24.5588 -25.9374 15.1136 56.027 21.9052 55.9109 8.40254 TIMING: 3449800 CPU: 10956.4, 0.00316385/step Wall: 10956.4, 0.00316385/step, 1.36239 hours remaining, 235.621094 MB of memory in use. ENERGY: 3449800 4057.2683 20651.2968 14614.4873 263.3606 -203592.2595 2779.6701 0.0000 0.0000 52043.3201 -109182.8563 299.0937 -161226.1764 -108815.6584 299.9229 -10.8730 15.7149 763047.9691 9.8391 9.9228 PRESSURE: 3450000 80.1754 -12.1104 -21.1495 -12.1103 -271.547 186.374 -21.1498 186.373 -221.086 GPRESSURE: 3450000 141.632 -35.058 58.9623 -70.9641 -257.208 169.143 -27.9689 198.14 -223.888 PRESSAVG: 3450000 1.57664 -33.9967 27.53 -33.9968 -64.777 34.4759 27.53 34.4758 -9.63552 GPRESSAVG: 3450000 2.217 -33.698 27.0017 -32.5154 -64.232 35.6659 30.4382 33.2803 -10.4117 TIMING: 3450000 CPU: 10957, 0.00314136/step Wall: 10957, 0.00314136/step, 1.35253 hours remaining, 235.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3450000 4088.8547 20546.1742 14538.8301 263.3539 -203345.6432 2492.3731 0.0000 0.0000 52417.3903 -108998.6669 301.2435 -161416.0572 -108626.4385 299.9828 -137.4857 -113.1547 761433.8261 -24.2786 -24.1422 PRESSURE: 3450200 -177.096 -86.3123 -128.433 -86.3114 -367.491 59.7824 -128.433 59.7829 -475.758 GPRESSURE: 3450200 -171.337 -112.95 -128.44 -80.7262 -312.316 -89.7109 -53.7667 -94.6381 -431.981 PRESSAVG: 3450200 16.0206 -24.9101 -0.279006 -24.9101 8.5931 4.68395 -0.279031 4.68398 0.665665 GPRESSAVG: 3450200 15.3201 -26.3405 -0.493255 -23.9215 9.36763 4.51184 -1.51832 3.77095 0.861026 TIMING: 3450200 CPU: 10957.6, 0.00316602/step Wall: 10957.6, 0.00316602/step, 1.36297 hours remaining, 235.621094 MB of memory in use. ENERGY: 3450200 3988.7633 20656.2312 14613.8492 250.0366 -203180.0909 2407.8015 0.0000 0.0000 52339.9481 -108923.4610 300.7984 -161263.4091 -108556.3100 300.7912 -340.1149 -305.2112 762438.3962 8.4265 8.5163 PRESSURE: 3450400 27.3111 -45.0518 -19.5282 -45.0519 -141.262 336.863 -19.5285 336.862 104.141 GPRESSURE: 3450400 78.2982 8.16563 -90.8303 40.585 -133.984 282.767 -71.1829 324.331 113.066 PRESSAVG: 3450400 23.8956 -17.2619 22.632 -17.2619 -46.0883 7.58116 22.632 7.5812 19.9287 GPRESSAVG: 3450400 24.0911 -16.6533 21.6618 -18.5521 -47.1501 6.79609 23.4285 10.1731 20.3378 TIMING: 3450400 CPU: 10958.3, 0.00314624/step Wall: 10958.3, 0.00314624/step, 1.35428 hours remaining, 235.621094 MB of memory in use. ENERGY: 3450400 4014.7476 20513.7385 14596.1636 260.7339 -203214.4437 2487.2324 0.0000 0.0000 52527.5321 -108814.2956 301.8764 -161341.8277 -108439.8380 301.1466 -3.2700 19.1267 761974.0759 -0.7547 -0.9071 PRESSURE: 3450600 -93.1546 116.533 94.8429 116.534 28.3857 -105.566 94.8431 -105.567 192.464 GPRESSURE: 3450600 -74.4813 14.6569 34.372 -17.7047 26.5272 -89.9023 -27.2428 -178.33 252.022 PRESSAVG: 3450600 6.89389 16.0727 3.66051 16.0727 -3.74066 -8.85612 3.66042 -8.85609 -3.05177 GPRESSAVG: 3450600 5.79308 15.2925 4.25856 15.95 -3.42571 -9.00063 0.843987 -9.39846 -2.91316 TIMING: 3450600 CPU: 10958.9, 0.00315926/step Wall: 10958.9, 0.00315926/step, 1.35971 hours remaining, 235.621094 MB of memory in use. ENERGY: 3450600 4081.5606 20613.9744 14560.3326 246.3595 -203674.3782 2824.4905 0.0000 0.0000 52433.8972 -108913.7634 301.3383 -161347.6606 -108544.6540 300.9451 42.5649 68.0225 761642.1628 0.0338 -0.1819 PRESSURE: 3450800 -158.742 67.1193 72.3454 67.1186 -21.2455 -168.872 72.3465 -168.871 -407.312 GPRESSURE: 3450800 -183.696 135.85 71.951 -7.59964 113.041 -116.804 171.471 -96.658 -432.416 PRESSAVG: 3450800 -11.9367 -45.6066 -9.36473 -45.6066 26.0793 7.70029 -9.36474 7.70023 10.6462 GPRESSAVG: 3450800 -12.8093 -44.9401 -8.17629 -46.9919 26.743 9.0873 -8.52994 7.14758 9.7214 TIMING: 3450800 CPU: 10959.5, 0.00313774/step Wall: 10959.5, 0.00313774/step, 1.35027 hours remaining, 235.621094 MB of memory in use. ENERGY: 3450800 3966.9235 20676.6182 14467.3997 248.2170 -203102.4212 2576.7776 0.0000 0.0000 52323.8083 -108842.6769 300.7056 -161166.4852 -108479.0456 300.5649 -195.7663 -167.6904 763422.1950 8.2629 7.8850 PRESSURE: 3451000 17.3967 173.546 -178.01 173.545 8.56373 -68.8031 -178.01 -68.8039 47.6751 GPRESSURE: 3451000 162.194 49.7865 -216.371 115.353 -39.2629 -27.8006 -194.152 -42.6165 49.5153 PRESSAVG: 3451000 34.199 10.132 2.05942 10.132 -22.0978 -30.7691 2.0594 -30.7691 -1.31529 GPRESSAVG: 3451000 35.2877 7.58036 -0.629695 14.2287 -23.9268 -31.6355 1.97656 -30.596 -1.20485 TIMING: 3451000 CPU: 10960.2, 0.00314345/step Wall: 10960.2, 0.00314345/step, 1.35256 hours remaining, 235.621094 MB of memory in use. ENERGY: 3451000 4027.2328 20701.7179 14445.4392 265.5379 -203374.7977 2833.2231 0.0000 0.0000 52407.8759 -108693.7710 301.1888 -161101.6469 -108338.3223 300.5080 24.5452 57.4822 764238.5684 3.5953 3.3853 PRESSURE: 3451200 -164.37 -61.3043 -330.678 -61.3044 -358.622 -55.4958 -330.678 -55.495 -462.049 GPRESSURE: 3451200 -155.923 -16.8272 -195.686 -150.041 -259.018 -110.727 -259.157 4.61737 -473.021 PRESSAVG: 3451200 50.7359 13.0466 -51.7486 13.0466 -20.5093 2.06047 -51.7487 2.06046 -3.77675 GPRESSAVG: 3451200 49.9471 15.2623 -50.9355 12.3194 -19.9679 1.52683 -50.4356 4.30169 -3.81455 TIMING: 3451200 CPU: 10960.8, 0.00314911/step Wall: 10960.8, 0.00314911/step, 1.35482 hours remaining, 235.621094 MB of memory in use. ENERGY: 3451200 4033.7203 20570.1225 14562.2316 239.2450 -202388.7859 2041.4030 0.0000 0.0000 52165.2548 -108776.8088 299.7944 -160942.0636 -108413.4887 300.4943 -328.3472 -295.9873 764464.8929 8.8166 8.7215 PRESSURE: 3451400 -538.822 108.179 227.211 108.18 -421.981 147.359 227.211 147.359 -53.6291 GPRESSURE: 3451400 -448.038 157.419 199.063 58.0766 -433.238 104.604 104.739 178.378 -52.4513 PRESSAVG: 3451400 27.0624 -32.2732 -24.6822 -32.2732 24.628 3.90985 -24.6822 3.90988 5.54968 GPRESSAVG: 3451400 27.7501 -32.6741 -23.6452 -32.6992 24.0424 4.36627 -26.1553 3.21524 5.6494 TIMING: 3451400 CPU: 10961.4, 0.00313918/step Wall: 10961.4, 0.00313918/step, 1.35037 hours remaining, 235.621094 MB of memory in use. ENERGY: 3451400 4077.3169 20438.1779 14525.7226 243.2949 -202591.6975 2084.4628 0.0000 0.0000 52649.1618 -108573.5606 302.5755 -161222.7224 -108213.7651 300.8794 -338.1438 -311.2425 763077.1471 19.0800 19.1473 PRESSURE: 3451600 -105.829 152.319 469.777 152.32 -115.531 -130.97 469.777 -130.971 -125.482 GPRESSURE: 3451600 -31.3958 0.846822 396.726 111.456 -54.4038 -167.208 474.393 -19.0371 -174.601 PRESSAVG: 3451600 2.23276 -19.4238 26.2313 -19.4238 -40.0495 -66.7425 26.2313 -66.7426 15.2683 GPRESSAVG: 3451600 2.42051 -19.9332 25.3222 -20.0499 -39.7273 -66.5646 25.098 -68.374 14.6014 TIMING: 3451600 CPU: 10962.1, 0.0031651/step Wall: 10962.1, 0.0031651/step, 1.36135 hours remaining, 235.621094 MB of memory in use. ENERGY: 3451600 3949.8142 20515.2594 14590.7935 242.0885 -202879.8929 2535.7276 0.0000 0.0000 52341.2931 -108704.9166 300.8061 -161046.2097 -108328.7858 301.0368 -115.6139 -86.8003 763050.4884 -7.5162 -7.5685 PRESSURE: 3451800 -221.969 -161.63 -277.145 -161.63 -95.2822 224.32 -277.145 224.32 -109.951 GPRESSURE: 3451800 -173.307 -210.956 -304.929 -142.691 -99.6785 201.29 -183.13 242.017 -74.1219 PRESSAVG: 3451800 51.675 -20.5873 -15.8875 -20.5873 -33.209 5.46055 -15.8875 5.46053 3.96817 GPRESSAVG: 3451800 51.2364 -19.2254 -14.9929 -20.2609 -34.4286 6.0359 -16.8428 5.95352 5.45667 TIMING: 3451800 CPU: 10962.7, 0.00313953/step Wall: 10962.7, 0.00313953/step, 1.35017 hours remaining, 235.621094 MB of memory in use. ENERGY: 3451800 3951.0563 20512.4595 14459.9652 252.9887 -202995.5334 2548.0892 0.0000 0.0000 52399.2850 -108871.6895 301.1394 -161270.9745 -108504.2306 300.7407 -142.4007 -115.7025 761976.5957 7.4781 7.4215 PRESSURE: 3452000 270.245 211.874 166.917 211.874 238.563 175.872 166.918 175.872 -49.0924 GPRESSURE: 3452000 279.593 103.511 49.8539 225.502 388.2 165.21 108.783 23.6558 -124.737 PRESSAVG: 3452000 -17.0207 -7.34396 -18.3543 -7.34395 -14.7942 -11.174 -18.3542 -11.1741 7.35933 GPRESSAVG: 3452000 -17.3257 -8.04133 -19.1971 -6.62409 -13.9558 -11.849 -15.7237 -10.0712 6.39832 TIMING: 3452000 CPU: 10963.3, 0.0031283/step Wall: 10963.3, 0.0031283/step, 1.34517 hours remaining, 235.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3452000 3922.0953 20686.8554 14497.2352 258.5872 -203258.6230 2886.8101 0.0000 0.0000 52107.3851 -108899.6546 299.4619 -161007.0397 -108545.9024 300.2282 153.2388 181.0186 761872.3634 -8.1519 -8.2944 PRESSURE: 3452200 -40.1376 -260.107 161.167 -260.107 -148.812 -98.9606 161.167 -98.9611 -270.717 GPRESSURE: 3452200 -48.1918 -290.65 178.781 -186.674 -117.848 -67.1437 209.508 -118.714 -213.682 PRESSAVG: 3452200 17.4094 -20.4549 -31.8714 -20.4549 6.98733 4.17228 -31.8715 4.17221 5.27387 GPRESSAVG: 3452200 17.1273 -17.1763 -31.377 -22.6866 7.55948 6.20518 -32.5988 1.66917 5.48905 TIMING: 3452200 CPU: 10963.9, 0.00313615/step Wall: 10963.9, 0.00313615/step, 1.34837 hours remaining, 235.621094 MB of memory in use. ENERGY: 3452200 4043.0083 20681.0997 14521.6481 228.6396 -202863.4170 2426.1939 0.0000 0.0000 52119.8648 -108842.9626 299.5336 -160962.8274 -108481.4311 300.0679 -153.2222 -126.5737 760310.3865 9.8902 10.0586 LDB: ============= START OF LOAD BALANCING ============== 10976.4 LDB: ============== END OF LOAD BALANCING =============== 10976.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10976.4 LDB: ============= START OF LOAD BALANCING ============== 10976.7 LDB: Largest compute 7038 load 0.029772 is 15.2% of average load 0.195614 LDB: Average compute 0.004383 is 2.2% of average load 0.195614 LDB: TIME 10976.7 LOAD: AVG 0.195614 MAX 0.215711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 10976.7 LOAD: AVG 0.195614 MAX 0.215711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.262 MB LDB: TIME 10976.7 LOAD: AVG 0.195614 MAX 0.215711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.262 MB LDB: ============== END OF LOAD BALANCING =============== 10976.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10976.7 PRESSURE: 3452400 15.2998 105.202 117.485 105.203 33.2531 17.312 117.484 17.3105 -176.822 GPRESSURE: 3452400 137.289 179.302 182.934 -63.8504 -38.4094 72.6287 -31.8689 -15.5576 -147.253 PRESSAVG: 3452400 38.3286 0.254325 -39.1422 0.25429 8.23956 7.7186 -39.1422 7.71865 2.57543 GPRESSAVG: 3452400 39.2385 -2.40533 -39.5659 2.66606 8.17938 7.3904 -38.8807 7.67732 2.06413 TIMING: 3452400 CPU: 10964.6, 0.00321185/step Wall: 10964.6, 0.00321185/step, 1.38074 hours remaining, 232.722656 MB of memory in use. ENERGY: 3452400 3977.9715 20574.2887 14519.8656 261.7936 -203355.6531 2670.9021 0.0000 0.0000 52233.3419 -109117.4897 300.1857 -161350.8315 -108756.6152 300.1752 -42.7563 -16.1247 760451.8313 16.3812 16.4940 PRESSURE: 3452600 194.992 48.9264 362.588 48.9274 -90.0306 123.012 362.588 123.012 -413.301 GPRESSURE: 3452600 232.697 -42.8833 326.269 134.607 -58.1844 84.6959 186.739 -15.9595 -418.994 PRESSAVG: 3452600 22.5376 25.0241 -3.28718 25.0242 37.5596 -12.6811 -3.28716 -12.6811 -0.583678 GPRESSAVG: 3452600 22.0634 26.0149 -2.14615 23.7184 37.0061 -13.2682 -3.96765 -13.2655 -0.00763277 TIMING: 3452600 CPU: 10965.2, 0.00314941/step Wall: 10965.2, 0.00314941/step, 1.35372 hours remaining, 232.925781 MB of memory in use. ENERGY: 3452600 3985.3969 20552.7156 14585.2287 247.4884 -203069.1932 2359.5911 0.0000 0.0000 52225.0407 -109113.7317 300.1380 -161338.7724 -108747.3233 299.7672 -102.7798 -81.4938 762472.7493 19.8378 19.6873 PRESSURE: 3452800 -243.417 25.5015 132.009 25.5019 -188.447 173.7 132.01 173.7 -195.696 GPRESSURE: 3452800 -162.276 97.6767 57.78 -28.4544 -161.156 129.738 175.84 206.63 -241.995 PRESSAVG: 3452800 17.0401 -27.5619 -0.510516 -27.5619 4.87139 10.834 -0.510521 10.8339 -23.0821 GPRESSAVG: 3452800 17.5469 -28.9851 -0.262352 -27.3657 5.31036 9.00733 -0.387193 14.2653 -23.7816 TIMING: 3452800 CPU: 10965.8, 0.00314856/step Wall: 10965.8, 0.00314856/step, 1.35318 hours remaining, 232.925781 MB of memory in use. ENERGY: 3452800 4016.9762 20445.1838 14624.6744 257.1318 -203004.1270 2511.8980 0.0000 0.0000 51864.7880 -109283.4749 298.0676 -161148.2629 -108924.0649 299.2186 -209.1869 -188.4755 761383.3857 -0.3902 -0.3081 PRESSURE: 3453000 -206.541 45.3502 138.204 45.3502 29.969 211.353 138.204 211.353 -40.3132 GPRESSURE: 3453000 -124.829 -1.15246 57.2741 87.5142 75.2898 181.168 34.9633 197.762 -67.029 PRESSAVG: 3453000 21.612 2.04448 -14.6456 2.04448 -6.73755 2.91083 -14.6456 2.91081 10.4474 GPRESSAVG: 3453000 20.7753 2.24323 -15.6205 1.41385 -6.43305 4.17439 -13.8028 1.46249 11.427 TIMING: 3453000 CPU: 10966.5, 0.00312882/step Wall: 10966.5, 0.00312882/step, 1.34452 hours remaining, 232.925781 MB of memory in use. ENERGY: 3453000 4005.2809 20584.2309 14614.1911 235.3116 -203334.2043 2612.7297 0.0000 0.0000 52018.8859 -109263.5741 298.9533 -161282.4600 -108896.8854 299.3021 -72.2949 -38.8562 761801.7586 8.4406 8.5898 PRESSURE: 3453200 133.215 48.4228 18.6285 48.4234 -35.7005 -104.956 18.6294 -104.956 -153.091 GPRESSURE: 3453200 232.593 -32.9718 65.9982 62.5218 -41.1663 -67.0319 23.4112 -218.925 -153.147 PRESSAVG: 3453200 3.92187 -32.7857 29.59 -32.7857 1.60453 -2.19797 29.59 -2.19796 -3.61476 GPRESSAVG: 3453200 4.57777 -32.6408 30.3149 -31.8675 0.269553 -0.702369 28.9202 -3.82125 -3.62278 TIMING: 3453200 CPU: 10967.1, 0.00313767/step Wall: 10967.1, 0.00313767/step, 1.34815 hours remaining, 232.925781 MB of memory in use. ENERGY: 3453200 3973.5015 20697.0477 14571.9732 234.0272 -203269.4026 2633.6674 0.0000 0.0000 52055.1938 -109103.9918 299.1619 -161159.1856 -108736.4159 300.3080 -18.5253 12.7596 761803.2237 0.6372 0.4082 PRESSURE: 3453400 -138.686 -114.715 6.18835 -114.715 -139.56 95.9269 6.18878 95.9271 -149.32 GPRESSURE: 3453400 -134.21 -121.799 116.308 -131.575 -112.775 -36.9589 42.5594 134.432 -100.965 PRESSAVG: 3453400 -16.7746 -15.7407 10.7565 -15.7408 8.27217 8.08787 10.7565 8.08784 -0.329181 GPRESSAVG: 3453400 -17.2505 -15.0761 9.44571 -17.519 9.81676 6.54332 13.2468 10.975 -1.09449 TIMING: 3453400 CPU: 10967.7, 0.00312851/step Wall: 10967.7, 0.00312851/step, 1.34404 hours remaining, 232.925781 MB of memory in use. ENERGY: 3453400 4044.6595 20415.0837 14541.2263 228.7933 -203086.9500 2519.6355 0.0000 0.0000 52378.9342 -108958.6175 301.0225 -161337.5517 -108580.6146 299.7280 -142.5219 -115.9834 761285.0947 -2.9439 -2.8428 PRESSURE: 3453600 146.691 -87.6186 47.008 -87.6179 -241.876 -58.9398 47.0082 -58.9405 86.138 GPRESSURE: 3453600 92.6841 -60.4375 43.7236 -95.0302 -215.248 -27.5805 -126.091 12.459 171.843 PRESSAVG: 3453600 -12.0009 -21.5851 -40.5878 -21.5852 -12.2294 15.2683 -40.5878 15.2682 28.5619 GPRESSAVG: 3453600 -11.7899 -21.0135 -40.8722 -20.4597 -12.2097 15.3429 -42.3911 14.8756 28.4987 TIMING: 3453600 CPU: 10968.3, 0.00315407/step Wall: 10968.3, 0.00315407/step, 1.35485 hours remaining, 232.925781 MB of memory in use. ENERGY: 3453600 3965.2882 20672.8815 14628.1531 242.3099 -202926.3743 2614.1516 0.0000 0.0000 51980.2792 -108823.3108 298.7314 -160803.5900 -108468.4320 300.3015 -3.0158 16.4263 761229.9949 1.4439 1.4997 PRESSURE: 3453800 57.5118 44.0783 -132.694 44.0791 -208.14 -15.3283 -132.694 -15.327 201.017 GPRESSURE: 3453800 24.3879 38.5473 -129.454 -49.339 -103.36 -5.44989 -190.573 -35.7807 213.67 PRESSAVG: 3453800 -29.018 -10.3277 -7.11139 -10.3277 -40.3129 3.65729 -7.11136 3.65723 16.7532 GPRESSAVG: 3453800 -26.9696 -11.5385 -6.88684 -8.9509 -42.155 3.03543 -7.16048 3.40357 16.6964 TIMING: 3453800 CPU: 10969, 0.00313332/step Wall: 10969, 0.00313332/step, 1.34576 hours remaining, 232.925781 MB of memory in use. ENERGY: 3453800 3999.0896 20414.5999 14529.6471 255.9164 -203293.6495 2701.1771 0.0000 0.0000 52203.5007 -109189.7187 300.0142 -161393.2194 -108814.3889 299.7671 16.7964 44.8992 762615.8451 -17.5259 -17.4760 PRESSURE: 3454000 -289.056 -49.9931 291.005 -49.9932 -222.713 -26.4561 291.004 -26.4559 -222.598 GPRESSURE: 3454000 -252.949 -79.2717 396.967 -89.717 -183.096 -45.7465 220.06 -8.94598 -245.727 PRESSAVG: 3454000 2.55846 -23.4363 -0.935652 -23.4363 8.84744 20.9135 -0.935653 20.9136 10.1495 GPRESSAVG: 3454000 1.51783 -21.5448 -0.397003 -26.4359 10.5346 21.4192 -1.16112 20.4988 9.61353 TIMING: 3454000 CPU: 10969.6, 0.00312863/step Wall: 10969.6, 0.00312863/step, 1.34357 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3454000 3984.1453 20438.5709 14541.5883 254.5038 -203030.0952 2467.7853 0.0000 0.0000 52032.8429 -109310.6588 299.0335 -161343.5017 -108945.7190 298.9323 -244.7891 -227.2577 761458.5486 7.1851 7.2220 PRESSURE: 3454200 -177.056 62.7007 27.9951 62.7011 -111.958 34.717 27.9953 34.7174 -187.884 GPRESSURE: 3454200 -125.589 87.6155 -43.2135 143.452 -146.428 -45.5 -75.6943 -87.2346 -131.486 PRESSAVG: 3454200 24.2537 15.1855 15.926 15.1855 -22.7992 -37.5459 15.9259 -37.5459 24.3695 GPRESSAVG: 3454200 23.4051 12.9231 16.5857 18.0883 -23.3685 -37.9224 17.6046 -37.3262 25.6874 TIMING: 3454200 CPU: 10970.2, 0.00313032/step Wall: 10970.2, 0.00313032/step, 1.34412 hours remaining, 232.925781 MB of memory in use. ENERGY: 3454200 4036.7968 20520.2535 14528.8456 269.2697 -203117.9007 2545.0343 0.0000 0.0000 51853.4254 -109364.2755 298.0023 -161217.7009 -109015.0040 298.8659 -158.9659 -134.5008 760798.3480 8.6080 8.5747 PRESSURE: 3454400 -182.793 44.3846 -131.982 44.3851 -198.701 -72.1637 -131.982 -72.1622 125.091 GPRESSURE: 3454400 -196.621 157.822 -178.778 53.0467 -118.846 -81.0066 -92.6675 -137.069 138.592 PRESSAVG: 3454400 -15.8782 17.9605 -47.631 17.9604 15.2404 -71.5481 -47.631 -71.548 8.88628 GPRESSAVG: 3454400 -15.5097 19.1155 -48.9359 16.1115 15.6434 -71.5327 -49.4033 -71.0101 8.06752 TIMING: 3454400 CPU: 10970.8, 0.00311404/step Wall: 10970.8, 0.00311404/step, 1.33696 hours remaining, 232.925781 MB of memory in use. ENERGY: 3454400 3970.3123 20482.4462 14527.2661 239.9209 -203121.2363 2396.9937 0.0000 0.0000 52011.1504 -109493.1467 298.9088 -161504.2971 -109134.9740 299.1309 -85.4677 -58.9580 759176.5846 2.7495 2.7337 PRESSURE: 3454600 -174.451 -222.253 -248.739 -222.254 23.0045 -85.6941 -248.738 -85.6938 25.4445 GPRESSURE: 3454600 -59.749 -167.282 -208.173 -131.198 41.6179 -67.2933 -180.631 -46.7627 -22.2081 PRESSAVG: 3454600 28.4287 4.64933 -38.6709 4.64935 0.0233624 9.61007 -38.6709 9.61003 2.81484 GPRESSAVG: 3454600 29.0825 4.26747 -37.0398 7.88029 0.243632 9.29776 -38.1362 10.3688 2.19421 TIMING: 3454600 CPU: 10971.5, 0.00310203/step Wall: 10971.5, 0.00310203/step, 1.33163 hours remaining, 232.925781 MB of memory in use. ENERGY: 3454600 4001.1734 20314.9196 14488.0037 236.3493 -202767.7561 2327.1409 0.0000 0.0000 52017.9865 -109382.1827 298.9481 -161400.1692 -109027.7317 298.8303 -42.0008 -13.4464 761187.2214 10.4223 10.5068 PRESSURE: 3454800 -228.358 -49.3113 -113.521 -49.3116 -35.4179 94.1856 -113.521 94.1855 -402.707 GPRESSURE: 3454800 -137.409 -8.46524 -122.202 30.6147 -29.9083 83.1512 -46.3843 112.613 -413.896 PRESSAVG: 3454800 63.1197 58.217 -11.3051 58.2169 10.5325 8.61624 -11.3053 8.61614 17.5447 GPRESSAVG: 3454800 62.6466 59.7957 -12.1362 54.5362 10.4049 9.39053 -10.824 7.21141 18.7383 TIMING: 3454800 CPU: 10972.1, 0.0031026/step Wall: 10972.1, 0.0031026/step, 1.3317 hours remaining, 232.925781 MB of memory in use. ENERGY: 3454800 4070.6580 20545.9780 14562.2116 240.7792 -203189.7767 2551.7370 0.0000 0.0000 52165.2518 -109053.1610 299.7944 -161218.4129 -108690.6408 299.5785 -222.1610 -193.7377 759714.5938 30.3989 30.5966 PRESSURE: 3455000 109.517 126.656 -76.9632 126.656 -15.3484 57.8732 -76.9625 57.8728 106.09 GPRESSURE: 3455000 239.69 134.752 -122.773 155.477 -66.7484 50.8646 -3.93899 32.2659 109.672 PRESSAVG: 3455000 -13.6219 -34.9296 22.0185 -34.9296 11.1915 -5.66125 22.0185 -5.66126 -25.6009 GPRESSAVG: 3455000 -14.3796 -35.687 21.2564 -33.4817 11.5741 -4.13644 21.4022 -5.51257 -25.7843 TIMING: 3455000 CPU: 10972.7, 0.0031159/step Wall: 10972.7, 0.0031159/step, 1.33724 hours remaining, 232.925781 MB of memory in use. ENERGY: 3455000 3985.8427 20592.5545 14456.2567 264.4727 -203069.8681 2414.7079 0.0000 0.0000 52161.6661 -109194.3676 299.7738 -161356.0337 -108821.4238 299.3075 66.7528 94.2049 760874.0362 -9.3438 -9.5299 PRESSURE: 3455200 136.855 -79.0276 49.6463 -79.0269 294.155 21.6246 49.6461 21.624 171.272 GPRESSURE: 3455200 225.312 -125.448 13.278 35.168 257.657 -41.4512 41.3791 71.9337 221.303 PRESSAVG: 3455200 -38.6161 -24.2102 -24.3054 -24.2102 4.46299 -2.62921 -24.3054 -2.62925 -5.71672 GPRESSAVG: 3455200 -36.6537 -24.9912 -23.9462 -23.3461 3.23488 -3.41889 -22.987 -3.39026 -6.36908 TIMING: 3455200 CPU: 10973.3, 0.00311909/step Wall: 10973.3, 0.00311909/step, 1.33844 hours remaining, 232.925781 MB of memory in use. ENERGY: 3455200 4021.3954 20313.5056 14544.9297 266.1389 -203504.0504 2772.3204 0.0000 0.0000 52359.2257 -109226.5346 300.9092 -161585.7603 -108857.4437 299.2774 200.7608 234.7574 760696.8697 -13.2900 -13.2626 PRESSURE: 3455400 -166.54 -108.904 -156.898 -108.905 237.589 41.4905 -156.899 41.4916 -226.927 GPRESSURE: 3455400 -66.1587 -101.168 -105.104 -136.774 258.956 95.1084 -52.9642 -86.7627 -274.577 PRESSAVG: 3455400 -32.0936 -35.7957 7.50893 -35.7957 61.6568 10.4393 7.50893 10.4392 7.1571 GPRESSAVG: 3455400 -32.3958 -34.8279 9.00698 -36.726 61.1432 10.7471 6.49129 9.12708 7.8121 TIMING: 3455400 CPU: 10974, 0.00311994/step Wall: 10974, 0.00311994/step, 1.33863 hours remaining, 232.925781 MB of memory in use. ENERGY: 3455400 3986.3312 20457.7533 14550.9874 224.0808 -203160.4462 2577.0323 0.0000 0.0000 52011.1495 -109353.1118 298.9088 -161364.2612 -108989.5868 299.2701 -51.9592 -27.2600 761877.5987 12.2401 12.1865 PRESSURE: 3455600 -46.054 -113.59 -52.4615 -113.59 -69.2679 -55.6891 -52.462 -55.6894 -145.14 GPRESSURE: 3455600 58.0017 -33.8141 -50.4366 -212.191 -124.159 21.3842 -87.3908 -48.9286 -99.9192 PRESSAVG: 3455600 13.1018 -36.9408 8.01089 -36.9408 -32.3367 10.7746 8.01096 10.7746 -14.0344 GPRESSAVG: 3455600 12.7778 -36.9765 7.48637 -38.5875 -31.8743 8.78656 7.46245 11.4262 -14.6012 TIMING: 3455600 CPU: 10974.6, 0.00313091/step Wall: 10974.6, 0.00313091/step, 1.34316 hours remaining, 232.925781 MB of memory in use. ENERGY: 3455600 3993.1234 20640.4904 14545.6594 237.4845 -203322.7524 2608.4529 0.0000 0.0000 52029.0374 -109268.5043 299.0116 -161297.5417 -108916.4009 299.3036 -86.8207 -55.3588 761080.2222 -11.0898 -11.2326 PRESSURE: 3455800 -53.655 22.8068 -36.1691 22.8067 -109.875 -78.1347 -36.1685 -78.1338 -49.5519 GPRESSURE: 3455800 -48.8826 53.5345 -51.5954 10.2371 -79.7453 -23.657 146.084 -105.38 -2.81438 PRESSAVG: 3455800 26.8882 -15.6391 -53.8528 -15.6392 -8.8723 -33.967 -53.8529 -33.967 16.737 GPRESSAVG: 3455800 25.3069 -16.5633 -55.8611 -13.8157 -8.03115 -31.811 -51.2724 -32.5952 17.2588 TIMING: 3455800 CPU: 10975.2, 0.00315749/step Wall: 10975.2, 0.00315749/step, 1.35439 hours remaining, 232.925781 MB of memory in use. ENERGY: 3455800 3956.7343 20336.6392 14507.5870 254.1643 -202989.5676 2473.1749 0.0000 0.0000 52112.8281 -109348.4399 299.4931 -161461.2680 -108983.0541 299.1688 -71.0272 -43.8141 763035.3068 11.5843 11.5115 PRESSURE: 3456000 -177.462 0.741874 -145.199 0.7417 139.58 200.354 -145.198 200.354 -114.212 GPRESSURE: 3456000 -167.851 -2.71975 -157.91 40.0349 165.528 303.641 -109.163 85.5504 -76.7043 PRESSAVG: 3456000 19.2815 8.06244 -34.7909 8.06242 -19.7277 41.9603 -34.7909 41.9602 -9.49081 GPRESSAVG: 3456000 20.3709 10.411 -33.8568 8.89562 -20.4376 42.9392 -35.419 41.941 -9.96607 TIMING: 3456000 CPU: 10975.8, 0.00314167/step Wall: 10975.8, 0.00314167/step, 1.34743 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3456000 4011.5297 20574.8574 14527.2251 254.8087 -203068.1517 2416.7135 0.0000 0.0000 52030.9887 -109252.0286 299.0228 -161283.0173 -108890.0424 299.5966 -50.6979 -26.3422 763420.2194 -3.3124 -3.3442 PRESSURE: 3456200 296.07 -138.828 -38.5204 -138.828 -163.978 -60.1104 -38.5202 -60.1121 -0.424878 GPRESSURE: 3456200 190.582 -341.983 -63.4043 -75.1467 -46.7245 -129.736 10.8675 -145.406 74.3156 PRESSAVG: 3456200 24.9903 -60.3831 -8.94763 -60.383 -10.7824 56.9846 -8.94757 56.9847 22.1192 GPRESSAVG: 3456200 25.6219 -62.3169 -8.081 -59.923 -11.2727 54.7051 -10.2561 55.8761 21.7566 TIMING: 3456200 CPU: 10976.5, 0.00316714/step Wall: 10976.5, 0.00316714/step, 1.35818 hours remaining, 232.925781 MB of memory in use. ENERGY: 3456200 3955.9386 20446.5147 14471.8449 246.1006 -203170.8440 2624.3614 0.0000 0.0000 52139.1191 -109286.9648 299.6442 -161426.0838 -108914.7336 299.2324 43.8889 72.7244 762360.6127 12.1090 12.0353 LDB: ============= START OF LOAD BALANCING ============== 10988.9 LDB: ============== END OF LOAD BALANCING =============== 10988.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10988.9 LDB: ============= START OF LOAD BALANCING ============== 10989.2 LDB: Largest compute 7052 load 0.029420 is 15.0% of average load 0.195547 LDB: Average compute 0.004388 is 2.2% of average load 0.195547 LDB: TIME 10989.2 LOAD: AVG 0.195547 MAX 0.21716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.582 MB LDB: TIME 10989.2 LOAD: AVG 0.195547 MAX 0.21716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.586 MB LDB: TIME 10989.2 LOAD: AVG 0.195547 MAX 0.21716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.586 MB LDB: ============== END OF LOAD BALANCING =============== 10989.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10989.2 PRESSURE: 3456400 76.7152 208.353 -84.5357 208.353 86.1601 -52.989 -84.5353 -52.9895 -171.209 GPRESSURE: 3456400 112.025 247.524 -63.0971 149.417 105.196 -61.5231 -58.0036 141.478 -138.294 PRESSAVG: 3456400 24.1225 -16.4092 -3.55035 -16.4093 -40.8707 17.7252 -3.55032 17.7251 0.724319 GPRESSAVG: 3456400 22.7648 -15.7597 -3.96218 -18.95 -40.6713 16.001 -3.15138 18.6694 1.59486 TIMING: 3456400 CPU: 10977.1, 0.00320791/step Wall: 10977.1, 0.0032079/step, 1.37548 hours remaining, 233.421875 MB of memory in use. ENERGY: 3456400 3948.7790 20485.7612 14532.0597 239.8994 -203320.2804 2592.6488 0.0000 0.0000 52104.0994 -109417.0329 299.4430 -161521.1323 -109059.6527 299.2524 -2.7781 26.3087 763809.4856 -5.3413 -5.4372 PRESSURE: 3456600 -226.641 -81.7007 54.0002 -81.7011 -409.145 164.104 53.9999 164.104 -233.035 GPRESSURE: 3456600 -128.033 -154.428 44.4294 -84.0934 -397.877 48.3432 33.0296 158.536 -240.945 PRESSAVG: 3456600 34.9303 31.7735 -5.50665 31.7735 -14.9278 -14.91 -5.50672 -14.91 13.3756 GPRESSAVG: 3456600 36.3108 30.3346 -4.23293 34.7367 -16.2354 -13.4576 -4.39229 -15.066 13.5283 TIMING: 3456600 CPU: 10977.7, 0.00312288/step Wall: 10977.7, 0.00312288/step, 1.33885 hours remaining, 233.421875 MB of memory in use. ENERGY: 3456600 4007.0465 20507.8304 14494.8784 255.4036 -203719.8331 2760.6024 0.0000 0.0000 52445.1364 -109248.9354 301.4029 -161694.0718 -108881.7266 299.5475 -289.6067 -255.6187 763894.2406 11.1260 11.2012 PRESSURE: 3456800 -162.738 -205.404 -10.073 -205.404 -93.9957 -56.7455 -10.0739 -56.7445 -242.287 GPRESSURE: 3456800 -129.76 -186.482 69.9913 -225.217 -103.737 -47.5511 -182.684 -98.8094 -162.151 PRESSAVG: 3456800 62.6374 -41.5232 7.25808 -41.5233 -64.6102 -5.15075 7.25811 -5.15074 23.2579 GPRESSAVG: 3456800 61.6188 -40.6891 5.72053 -42.7449 -64.21 -4.39471 6.51205 -4.75647 23.3787 TIMING: 3456800 CPU: 10978.4, 0.00312089/step Wall: 10978.4, 0.00312089/step, 1.33782 hours remaining, 233.421875 MB of memory in use. ENERGY: 3456800 4030.3582 20519.8292 14532.3676 252.7395 -203256.0729 2591.8737 0.0000 0.0000 52229.5029 -109099.4020 300.1637 -161328.9048 -108735.6067 299.6195 -166.3402 -131.8827 765263.1406 7.0950 6.9292 PRESSURE: 3457000 -8.63422 -176.409 -36.5214 -176.408 -59.7916 -175.672 -36.5216 -175.671 -323.018 GPRESSURE: 3457000 17.3458 -268.484 -60.8128 -145.171 40.9701 -166.546 38.4473 -114.517 -332.608 PRESSAVG: 3457000 -17.5277 -78.8877 -0.764504 -78.8877 -11.2042 -8.03875 -0.764575 -8.03874 -28.3966 GPRESSAVG: 3457000 -17.5272 -79.8329 1.92937 -78.5658 -10.4543 -9.03014 -3.85031 -7.47315 -28.7853 TIMING: 3457000 CPU: 10979, 0.00313187/step Wall: 10979, 0.00313187/step, 1.34235 hours remaining, 233.421875 MB of memory in use. ENERGY: 3457000 3954.2540 20689.7586 14581.3546 237.8222 -203385.1142 2806.5403 0.0000 0.0000 52045.4702 -109069.9144 299.1060 -161115.3847 -108707.9454 299.8886 -130.4812 -91.4308 763105.7589 -19.0428 -18.9223 PRESSURE: 3457200 -129.881 40.3586 -143.406 40.3586 183.33 292.175 -143.406 292.174 -117.202 GPRESSURE: 3457200 -71.5733 71.4346 -160.695 171.444 206.789 218.859 36.6163 252.976 -129.445 PRESSAVG: 3457200 2.93723 7.01639 13.2548 7.01633 -30.9776 -18.0481 13.2548 -18.0482 1.7143 GPRESSAVG: 3457200 3.44208 8.54288 10.1993 4.68866 -31.5638 -18.531 14.7225 -19.3442 1.70197 TIMING: 3457200 CPU: 10979.6, 0.00312961/step Wall: 10979.6, 0.00312961/step, 1.34121 hours remaining, 233.421875 MB of memory in use. ENERGY: 3457200 4020.6779 20477.1668 14469.2267 238.9804 -203128.8563 2385.8315 0.0000 0.0000 52217.8197 -109319.1533 300.0965 -161536.9730 -108951.6617 299.4769 -21.2510 1.9237 762037.2094 -8.7754 -8.8066 PRESSURE: 3457400 678.633 -160.359 -30.4698 -160.359 398.825 48.2804 -30.4705 48.2781 -13.8538 GPRESSURE: 3457400 694.572 -155.643 -64.4199 -249.361 431.232 -27.3321 -81.8495 -2.76577 1.30468 PRESSAVG: 3457400 8.4678 -13.1471 25.9341 -13.1472 -15.8828 49.8576 25.9341 49.8575 43.2375 GPRESSAVG: 3457400 6.56898 -12.1471 26.728 -11.2482 -15.5153 50.8592 29.2025 50.4643 44.4401 TIMING: 3457400 CPU: 10980.2, 0.00310991/step Wall: 10980.2, 0.00310991/step, 1.3326 hours remaining, 233.421875 MB of memory in use. ENERGY: 3457400 3990.0132 20662.9866 14621.8474 271.8353 -203621.3219 2681.9655 0.0000 0.0000 52100.3703 -109292.3036 299.4215 -161392.6739 -108931.2656 299.4138 354.5347 375.7028 760634.2380 11.9409 11.8313 PRESSURE: 3457600 -338.244 161.411 -67.8234 161.411 -380.066 -88.6487 -67.8235 -88.6501 -275.527 GPRESSURE: 3457600 -392.881 204.65 -34.1356 164.694 -311.116 -63.0252 -26.7329 -186.285 -193.833 PRESSAVG: 3457600 10.364 -13.2013 -4.01202 -13.2013 -11.0659 27.1329 -4.01203 27.1329 8.12128 GPRESSAVG: 3457600 11.9341 -15.1235 -2.48478 -12.3552 -10.413 26.4997 -9.27379 26.5366 6.23998 TIMING: 3457600 CPU: 10980.9, 0.00313576/step Wall: 10980.9, 0.00313576/step, 1.3435 hours remaining, 233.421875 MB of memory in use. ENERGY: 3457600 4045.3814 20587.9434 14492.1618 248.5824 -203290.6560 2309.2433 0.0000 0.0000 52241.3286 -109366.0151 300.2316 -161607.3437 -109001.5215 299.3429 -331.2790 -299.2769 763207.0289 2.4731 2.5870 PRESSURE: 3457800 -143.29 -27.5518 113.953 -27.552 -286.397 -147.511 113.953 -147.513 -300.508 GPRESSURE: 3457800 -65.7567 5.93609 74.9148 -17.0935 -235.048 -172.547 73.4762 -56.6463 -325.996 PRESSAVG: 3457800 81.1793 56.5223 63.9138 56.5223 -73.3518 66.9098 63.9138 66.9097 6.71215 GPRESSAVG: 3457800 81.247 58.0248 62.708 56.3088 -74.0589 68.7686 66.5869 67.4173 7.64339 TIMING: 3457800 CPU: 10981.5, 0.00312245/step Wall: 10981.5, 0.00312245/step, 1.33762 hours remaining, 233.421875 MB of memory in use. ENERGY: 3457800 4046.7159 20626.8256 14513.9284 253.2097 -203493.9501 2358.0463 0.0000 0.0000 52181.0152 -109514.2090 299.8850 -161695.2242 -109156.6020 299.1237 -243.3984 -208.9337 761789.6282 4.8465 4.9438 PRESSURE: 3458000 120.727 9.15403 -10.9312 9.15407 -186.148 -99.467 -10.9321 -99.4671 -297.733 GPRESSURE: 3458000 119.178 -115.325 18.0326 62.2307 -162.07 -118.338 6.57432 -26.7644 -262.224 PRESSAVG: 3458000 4.84542 -16.7748 33.265 -16.7748 -5.00689 12.3172 33.2651 12.3172 7.34008 GPRESSAVG: 3458000 5.89595 -19.0335 33.0624 -15.0823 -5.01286 13.8426 30.1923 11.1192 6.50123 TIMING: 3458000 CPU: 10982.1, 0.00311749/step Wall: 10982.1, 0.00311749/step, 1.33533 hours remaining, 233.421875 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: 3458000 4019.0894 20605.1818 14492.1624 248.1758 -203848.2489 2974.6098 0.0000 0.0000 52077.8326 -109431.1971 299.2920 -161509.0297 -109061.4274 299.4227 -121.0515 -101.7054 762461.9637 2.3929 2.4614 PRESSURE: 3458200 -285.022 192.342 8.70266 192.342 -154.92 88.9526 8.70334 88.9527 -4.28095 GPRESSURE: 3458200 -112.082 166.49 45.4339 157.851 -208.962 118.172 124.622 147.729 -38.9565 PRESSAVG: 3458200 -9.21392 -10.2559 -1.09276 -10.2558 -6.25553 42.5704 -1.09275 42.5704 14.5236 GPRESSAVG: 3458200 -9.81631 -9.53182 -2.52533 -11.8519 -6.25693 40.1846 2.96485 44.046 15.3131 TIMING: 3458200 CPU: 10982.7, 0.00310768/step Wall: 10982.7, 0.00310768/step, 1.33095 hours remaining, 233.421875 MB of memory in use. ENERGY: 3458200 3978.1975 20652.8971 14574.1106 245.0363 -203627.5040 2527.8794 0.0000 0.0000 52172.1481 -109477.2350 299.8341 -161649.3831 -109107.5774 299.6412 -148.0743 -119.9999 760204.3719 -0.3153 -0.2534 PRESSURE: 3458400 -386.892 -8.72365 -72.0428 -8.72329 -241.138 -60.4812 -72.0444 -60.4806 -151.589 GPRESSURE: 3458400 -311.801 41.2368 -100.864 5.41205 -173.158 37.3279 -10.2095 -161.291 -209.342 PRESSAVG: 3458400 82.5356 -26.2059 -10.4416 -26.206 -48.5376 3.27737 -10.4417 3.27741 -9.49724 GPRESSAVG: 3458400 83.3125 -25.9799 -8.45373 -25.2259 -48.6398 3.98163 -10.2339 2.53886 -10.4974 TIMING: 3458400 CPU: 10983.4, 0.00311653/step Wall: 10983.4, 0.00311653/step, 1.33457 hours remaining, 233.421875 MB of memory in use. ENERGY: 3458400 3971.8916 20412.0113 14517.5873 249.8957 -203230.3339 2241.2738 0.0000 0.0000 52172.1000 -109665.5743 299.8338 -161837.6742 -109302.7459 298.9341 -259.8728 -231.4338 760825.7008 8.1669 8.0584 PRESSURE: 3458600 5.70555 -0.628635 31.7082 -0.627968 -165.277 -167.184 31.7083 -167.183 49.1513 GPRESSURE: 3458600 10.8025 -104.071 66.4793 -24.7288 -67.7051 -95.7454 33.3597 -171.132 34.5673 PRESSAVG: 3458600 75.9188 10.9396 38.8251 10.9397 -76.4817 9.65434 38.8251 9.65435 12.7238 GPRESSAVG: 3458600 76.0778 12.5457 37.179 7.31539 -77.623 9.71467 37.8403 10.7819 13.6902 TIMING: 3458600 CPU: 10984, 0.00312872/step Wall: 10984, 0.00312872/step, 1.33961 hours remaining, 233.421875 MB of memory in use. ENERGY: 3458600 4044.7901 20429.3266 14544.3202 249.5917 -203589.8114 2427.3088 0.0000 0.0000 52027.5596 -109866.9144 299.0031 -161894.4740 -109498.2335 298.9228 -36.8066 -7.4451 759655.5893 4.0536 4.0483 PRESSURE: 3458800 232.052 -299.85 -112.22 -299.85 -239.331 277.906 -112.221 277.906 115.343 GPRESSURE: 3458800 180.393 -260.085 -92.7044 -130.933 -74.6615 257.036 -97.1632 167.776 92.1699 PRESSAVG: 3458800 82.9448 -54.7842 11.4876 -54.7843 -87.8273 55.8786 11.4876 55.8785 7.21987 GPRESSAVG: 3458800 81.596 -54.8059 11.648 -52.2882 -86.5053 54.6741 11.8411 54.7557 7.2946 TIMING: 3458800 CPU: 10984.6, 0.00313999/step Wall: 10984.6, 0.00313999/step, 1.34427 hours remaining, 233.421875 MB of memory in use. ENERGY: 3458800 3972.3100 20479.7039 14542.9137 280.8731 -203549.5034 2638.1041 0.0000 0.0000 51768.6325 -109866.9660 297.5150 -161635.5985 -109508.8635 298.3899 36.0212 65.9670 759980.0809 0.7791 0.7951 PRESSURE: 3459000 151.288 186.639 -205.45 186.639 77.0046 -78.6657 -205.45 -78.6656 -222.418 GPRESSURE: 3459000 237.156 176.772 -191.738 188.516 45.7944 -130.185 -51.6558 -133.002 -207.947 PRESSAVG: 3459000 86.2722 9.45033 -12.1317 9.45031 -61.6184 55.5233 -12.1317 55.5233 13.845 GPRESSAVG: 3459000 85.8051 10.3844 -10.3837 11.0759 -61.6901 55.5199 -10.3668 56.6004 14.0002 TIMING: 3459000 CPU: 10985.2, 0.00313283/step Wall: 10985.2, 0.00313283/step, 1.34103 hours remaining, 233.421875 MB of memory in use. ENERGY: 3459000 3910.1301 20348.6851 14544.0775 260.1326 -203367.0311 2501.4273 0.0000 0.0000 52040.2917 -109762.2868 299.0763 -161802.5785 -109395.6389 298.1952 1.9582 25.0011 762031.6708 12.8329 12.7051 PRESSURE: 3459200 -165.599 -165.213 -40.469 -165.214 97.811 -266.522 -40.4704 -266.523 -60.8232 GPRESSURE: 3459200 -148.038 -274.683 -100.24 -161.276 152.472 -249.689 -127.456 -185.503 -58.7954 PRESSAVG: 3459200 49.4 5.32721 -4.21185 5.32719 -62.8713 29.5466 -4.21187 29.5466 16.8017 GPRESSAVG: 3459200 50.3639 4.06639 -5.0819 4.40026 -63.519 31.097 -7.11229 28.9285 16.5905 TIMING: 3459200 CPU: 10985.9, 0.00310655/step Wall: 10985.9, 0.00310655/step, 1.3296 hours remaining, 233.421875 MB of memory in use. ENERGY: 3459200 3967.4196 20519.1719 14601.2270 254.2975 -203474.1393 2646.7753 0.0000 0.0000 51893.2379 -109592.0100 298.2312 -161485.2479 -109241.2218 298.5567 -42.8703 -18.1205 762364.2897 1.1101 1.1452 PRESSURE: 3459400 -177.584 -369.192 193.168 -369.192 -232.725 -10.1415 193.168 -10.1417 -248.381 GPRESSURE: 3459400 -110.054 -363.505 199.802 -432.362 -190.021 91.0998 121.94 -113.714 -267.569 PRESSAVG: 3459400 73.7164 -27.7799 -13.0143 -27.7799 -79.3647 7.66797 -13.0143 7.66803 6.79118 GPRESSAVG: 3459400 73.9717 -28.5274 -13.3721 -28.7667 -78.716 6.90212 -12.9709 6.64863 5.3649 TIMING: 3459400 CPU: 10986.5, 0.00314376/step Wall: 10986.5, 0.00314376/step, 1.34536 hours remaining, 233.421875 MB of memory in use. ENERGY: 3459400 3983.5574 20536.0288 14509.5206 228.3400 -203483.0330 2498.5446 0.0000 0.0000 51998.4170 -109728.6245 298.8356 -161727.0415 -109380.2106 298.5245 -219.5631 -189.2149 763231.9909 0.3810 0.2069 PRESSURE: 3459600 -155.674 -12.0919 -37.5402 -12.0925 -164.22 102.459 -37.5411 102.46 210.086 GPRESSURE: 3459600 -56.6242 -93.7258 -40.7056 -25.9847 -134.338 186.8 61.5369 0.73796 172.019 PRESSAVG: 3459600 45.1113 -72.87 44.6698 -72.87 -53.8741 6.39841 44.6698 6.39835 -9.98424 GPRESSAVG: 3459600 44.3806 -71.942 46.1636 -73.114 -53.0668 7.80088 44.9837 5.56804 -9.66531 TIMING: 3459600 CPU: 10987.1, 0.00313334/step Wall: 10987.1, 0.00313334/step, 1.34072 hours remaining, 233.421875 MB of memory in use. ENERGY: 3459600 3907.8582 20463.3599 14586.0377 227.5602 -202915.1041 2370.9951 0.0000 0.0000 51370.2837 -109989.0093 295.2257 -161359.2930 -109625.2159 298.0275 -36.6024 -6.3143 763527.0769 -6.2490 -6.1171 PRESSURE: 3459800 -31.3604 -40.3037 76.2483 -40.3038 20.7751 83.9188 76.2493 83.9188 -287.148 GPRESSURE: 3459800 7.21652 -130.34 42.9403 49.6514 88.3122 51.8109 71.3398 108.362 -315.246 PRESSAVG: 3459800 24.6831 -64.9658 -4.75719 -64.9659 -34.6793 21.7324 -4.75722 21.7324 23.161 GPRESSAVG: 3459800 25.8958 -65.2669 -5.83214 -63.5121 -34.8096 19.4091 -4.48639 23.5382 22.3812 TIMING: 3459800 CPU: 10987.7, 0.0031258/step Wall: 10987.7, 0.0031258/step, 1.33732 hours remaining, 233.421875 MB of memory in use. ENERGY: 3459800 3964.5540 20438.1837 14501.6802 244.2441 -203501.0534 2823.6347 0.0000 0.0000 51630.5189 -109898.2378 296.7213 -161528.7567 -109531.8692 297.4373 -99.2443 -73.2390 763985.9608 4.3883 4.4892 PRESSURE: 3460000 -298.694 -127.309 37.9869 -127.309 -118.898 174.778 37.9874 174.779 -396.465 GPRESSURE: 3460000 -169.859 -9.83261 10.1687 -34.5151 -147.398 195.657 -7.33666 216.348 -417.766 PRESSAVG: 3460000 20.7686 -65.9986 58.6122 -65.9987 -14.3016 57.4522 58.6123 57.4523 9.48166 GPRESSAVG: 3460000 20.7992 -66.8214 60.9542 -65.3868 -16.1606 59.5849 58.0756 58.3635 11.8422 TIMING: 3460000 CPU: 10988.4, 0.00311678/step Wall: 10988.4, 0.00311678/step, 1.33329 hours remaining, 233.421875 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: 3460000 4042.3388 20377.8974 14611.8317 240.9588 -203425.7026 2638.3148 0.0000 0.0000 51726.4605 -109787.9005 297.2727 -161514.3610 -109424.4567 297.6680 -271.3524 -245.0076 764924.2385 5.3162 5.4936 PRESSURE: 3460200 128.504 -85.8983 -92.7275 -85.8984 -241.145 -46.4145 -92.7271 -46.4149 10.6995 GPRESSURE: 3460200 128.955 -117.459 -178.764 -152.813 -178.035 33.1264 -32.8893 -42.8637 51.4899 PRESSAVG: 3460200 46.6573 -33.0463 6.6217 -33.0463 -59.9679 -33.4578 6.62172 -33.4578 -6.42024 GPRESSAVG: 3460200 45.981 -32.5309 5.4416 -32.2959 -57.8393 -32.4454 6.01823 -34.7907 -7.88725 TIMING: 3460200 CPU: 10989, 0.00312361/step Wall: 10989, 0.00312361/step, 1.33604 hours remaining, 233.421875 MB of memory in use. ENERGY: 3460200 3973.0422 20390.7964 14629.9481 237.0084 -203338.5960 2612.5118 0.0000 0.0000 51854.2562 -109641.0330 298.0071 -161495.2891 -109288.3516 298.1960 -33.9805 0.8033 763724.3873 -6.5769 -6.5819 LDB: ============= START OF LOAD BALANCING ============== 11001.4 LDB: ============== END OF LOAD BALANCING =============== 11001.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.4 LDB: ============= START OF LOAD BALANCING ============== 11001.7 LDB: Largest compute 7036 load 0.030843 is 15.8% of average load 0.195541 LDB: Average compute 0.004404 is 2.3% of average load 0.195541 LDB: TIME 11001.7 LOAD: AVG 0.195541 MAX 0.213851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.555 MB LDB: TIME 11001.7 LOAD: AVG 0.195541 MAX 0.213851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: TIME 11001.7 LOAD: AVG 0.195541 MAX 0.213851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: ============== END OF LOAD BALANCING =============== 11001.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.7 PRESSURE: 3460400 -588.397 41.1888 176.094 41.1902 -469.566 190.742 176.094 190.743 -244.014 GPRESSURE: 3460400 -395.174 12.7633 185.763 27.4622 -530.246 197.399 144.311 54.6231 -282.781 PRESSAVG: 3460400 -6.52574 10.0493 21.4051 10.0494 28.3141 -49.7331 21.4051 -49.7331 7.37028 GPRESSAVG: 3460400 -4.709 10.4513 21.8868 8.29249 25.9646 -49.8459 22.0057 -50.3497 8.00054 TIMING: 3460400 CPU: 10989.6, 0.00319592/step Wall: 10989.6, 0.00319592/step, 1.36679 hours remaining, 234.128906 MB of memory in use. ENERGY: 3460400 3993.4071 20472.6720 14549.2809 235.6328 -203366.1825 2440.9423 0.0000 0.0000 52086.0897 -109588.1576 299.3395 -161674.2473 -109225.0025 298.5877 -433.9925 -402.7335 763486.4526 9.7196 9.7520 PRESSURE: 3460600 -65.2887 42.3059 -105.807 42.3054 -300.496 -38.9687 -105.807 -38.9688 69.7778 GPRESSURE: 3460600 -77.6569 41.2419 -88.1087 55.6035 -245.214 -136.395 -228.292 -48.9176 93.3203 PRESSAVG: 3460600 45.1334 31.2534 33.9975 31.2535 -29.3516 48.9702 33.9974 48.9703 10.5915 GPRESSAVG: 3460600 42.5696 29.562 31.9357 32.1796 -27.6555 46.4301 35.2638 49.2626 11.296 TIMING: 3460600 CPU: 10990.3, 0.00311438/step Wall: 10990.3, 0.00311438/step, 1.33174 hours remaining, 234.398438 MB of memory in use. ENERGY: 3460600 4012.1508 20596.4691 14555.0843 255.1777 -203861.5334 2803.6380 0.0000 0.0000 52004.0632 -109634.9504 298.8681 -161639.0136 -109270.7070 298.6400 -98.6691 -76.5169 761239.9093 8.7911 8.7367 PRESSURE: 3460800 116.322 -131.089 -169.637 -131.087 295.705 13.593 -169.637 13.5931 132.205 GPRESSURE: 3460800 131.962 -89.4582 -37.875 -88.4455 296.71 -21.6342 -157.795 17.0307 186.082 PRESSAVG: 3460800 -41.1699 -62.5267 -11.0349 -62.5266 2.21286 31.9736 -11.0349 31.9736 12.3288 GPRESSAVG: 3460800 -40.9177 -59.8734 -7.89648 -63.3873 2.40154 33.1827 -12.5567 33.6487 11.2788 TIMING: 3460800 CPU: 10990.9, 0.0031058/step Wall: 10990.9, 0.0031058/step, 1.3279 hours remaining, 234.398438 MB of memory in use. ENERGY: 3460800 4012.8000 20614.3735 14529.0947 258.3790 -203765.8002 2640.7073 0.0000 0.0000 51998.0341 -109712.4116 298.8334 -161710.4457 -109358.4266 298.7976 181.4108 204.9177 760794.7881 -8.8761 -9.0791 PRESSURE: 3461000 -50.4001 -146.923 294.287 -146.924 -414.229 -73.4122 294.287 -73.4124 -18.7274 GPRESSURE: 3461000 -46.2798 -145.859 295.03 -17.6248 -300.777 -139.112 196.998 -83.3339 -59.6762 PRESSAVG: 3461000 -13.7189 -42.0589 41.3532 -42.0589 -3.97881 -12.8607 41.3532 -12.8606 -11.2381 GPRESSAVG: 3461000 -11.2027 -44.819 39.4975 -38.3668 -4.25518 -13.7482 43.5187 -13.8849 -12.6882 TIMING: 3461000 CPU: 10991.5, 0.00311589/step Wall: 10991.5, 0.00311589/step, 1.33204 hours remaining, 234.453125 MB of memory in use. ENERGY: 3461000 3951.1233 20424.8287 14489.0011 242.0691 -203914.1188 2861.0184 0.0000 0.0000 52167.1133 -109778.9650 299.8051 -161946.0783 -109411.6395 298.7768 -161.1189 -135.5777 762183.3127 -9.6453 -9.3820 PRESSURE: 3461200 -54.4245 131.502 24.9587 131.502 -153.476 -73.1903 24.9587 -73.1906 -444.762 GPRESSURE: 3461200 -3.3918 100.508 -116.569 162.922 -123.174 -122.619 -19.022 -94.8102 -442.028 PRESSAVG: 3461200 0.657945 -93.1162 -16.9819 -93.1162 3.20292 -35.9712 -16.9819 -35.9712 19.0189 GPRESSAVG: 3461200 -0.714213 -93.0744 -17.3202 -94.8437 2.39811 -35.9004 -17.6183 -38.2859 21.357 TIMING: 3461200 CPU: 10992.1, 0.00310748/step Wall: 10992.1, 0.00310748/step, 1.32828 hours remaining, 234.523438 MB of memory in use. ENERGY: 3461200 4044.4443 20568.4741 14530.1479 270.1864 -203631.8148 2482.8152 0.0000 0.0000 51837.7453 -109898.0016 297.9122 -161735.7469 -109536.8590 298.9035 -217.5540 -189.5312 760820.3116 7.6266 7.6803 PRESSURE: 3461400 46.7338 17.3982 -230.934 17.3989 305.818 19.059 -230.933 19.0582 459.25 GPRESSURE: 3461400 89.5175 -20.2991 -186.56 94.6456 315.668 57.1674 9.13396 15.2678 513.882 PRESSAVG: 3461400 -38.6854 -73.0509 -24.2437 -73.0509 18.3513 -21.6863 -24.2437 -21.6863 -3.32646 GPRESSAVG: 3461400 -39.3026 -72.3918 -22.9332 -74.6446 19.5814 -21.7343 -24.4486 -18.5477 -3.61604 TIMING: 3461400 CPU: 10992.8, 0.00313857/step Wall: 10992.8, 0.00313857/step, 1.34139 hours remaining, 234.523438 MB of memory in use. ENERGY: 3461400 3990.9516 20456.1538 14548.8155 271.4826 -203968.6425 2863.7345 0.0000 0.0000 52048.4349 -109789.0696 299.1231 -161837.5044 -109426.8146 298.3582 270.6003 306.3558 759011.9843 -7.8869 -7.7791 PRESSURE: 3461600 121.581 -123.927 -82.2484 -123.927 64.8828 -132.687 -82.248 -132.687 57.919 GPRESSURE: 3461600 198.838 -8.30115 -133.566 -167.115 -1.21603 -47.2432 -54.2449 -189.69 119.292 PRESSAVG: 3461600 51.4468 -26.8287 -8.61684 -26.8287 -52.1992 20.177 -8.61685 20.1771 5.43039 GPRESSAVG: 3461600 53.0158 -25.2349 -8.84259 -29.3178 -53.7368 19.5356 -10.0961 19.8155 5.18406 TIMING: 3461600 CPU: 10993.4, 0.00311045/step Wall: 10993.4, 0.00311045/step, 1.3292 hours remaining, 234.523438 MB of memory in use. ENERGY: 3461600 4064.9568 20606.6925 14492.4915 246.5552 -203933.2099 2815.6294 0.0000 0.0000 51826.0723 -109880.8121 297.8451 -161706.8844 -109516.9695 298.3486 81.4610 105.6379 760507.3460 1.5593 1.4877 PRESSURE: 3461800 -292.038 171.183 101.267 171.183 -178.993 67.1089 101.268 67.108 -36.8944 GPRESSURE: 3461800 -212.629 80.682 95.372 157.349 -175.419 102.035 123.359 -13.6376 -42.6869 PRESSAVG: 3461800 44.2259 42.2909 -24.0698 42.2909 -9.54454 -53.6765 -24.0698 -53.6764 -1.84445 GPRESSAVG: 3461800 43.6489 38.7575 -24.3057 46.8357 -10.0942 -52.8383 -24.2427 -53.2471 -1.52832 TIMING: 3461800 CPU: 10994, 0.0031189/step Wall: 10994, 0.0031189/step, 1.33263 hours remaining, 234.523438 MB of memory in use. ENERGY: 3461800 3974.3670 20665.5263 14552.1003 250.6023 -203519.8123 2355.3980 0.0000 0.0000 51836.5915 -109885.2269 297.9056 -161721.8184 -109520.0042 298.6734 -169.3084 -143.5784 760754.9708 10.9456 10.6755 PRESSURE: 3462000 257.074 -52.1797 -40.2816 -52.179 218.91 -92.4449 -40.281 -92.4438 47.8351 GPRESSURE: 3462000 282.17 18.8309 -151.768 -39.9587 290.008 -109.245 -33.275 -66.4998 43.2954 PRESSAVG: 3462000 17.3878 14.6801 24.9464 14.6801 -46.9245 83.4796 24.9465 83.4796 2.43422 GPRESSAVG: 3462000 16.8374 16.9761 26.0118 13.4466 -45.2407 82.8336 24.7803 83.1815 1.80839 TIMING: 3462000 CPU: 10994.6, 0.00310716/step Wall: 10994.6, 0.00310716/step, 1.32745 hours remaining, 234.523438 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: 3462000 4038.0416 20371.4022 14606.7432 248.1692 -203814.6475 2845.2889 0.0000 0.0000 51771.8670 -109933.1354 297.5336 -161705.0024 -109561.1986 298.4869 174.6061 205.1578 759606.9015 -9.0342 -8.8650 PRESSURE: 3462200 -184.883 20.136 -288.29 20.1358 31.4051 77.5746 -288.291 77.5745 -251.735 GPRESSURE: 3462200 -140.037 -30.1264 -212.064 134.666 27.3137 97.1776 -170.041 -22.9778 -210.277 PRESSAVG: 3462200 42.2923 22.0328 5.98608 22.0328 35.8632 9.9566 5.98605 9.95659 16.4792 GPRESSAVG: 3462200 42.735 22.0669 5.96202 20.1986 34.9897 12.0622 8.42481 7.56996 16.664 TIMING: 3462200 CPU: 10995.2, 0.00311397/step Wall: 10995.2, 0.00311397/step, 1.33018 hours remaining, 234.523438 MB of memory in use. ENERGY: 3462200 3924.5479 20366.7408 14469.5999 242.3620 -203248.3526 2479.1417 0.0000 0.0000 51866.3899 -109899.5704 298.0769 -161765.9603 -109532.4456 297.7893 -135.0712 -107.6669 761407.6323 31.5449 31.4629 PRESSURE: 3462400 -182.408 67.084 -54.3613 67.0842 67.9049 -109.265 -54.3617 -109.266 0.991888 GPRESSURE: 3462400 -27.6197 -47.8967 -81.9215 201.405 60.4308 -98.3671 -162.168 78.9083 -44.305 PRESSAVG: 3462400 39.0174 -36.0977 -43.5899 -36.0977 17.9232 -33.6148 -43.5899 -33.6148 -14.9078 GPRESSAVG: 3462400 39.465 -35.733 -43.5567 -35.349 18.5677 -34.1493 -44.0314 -33.9491 -15.6827 TIMING: 3462400 CPU: 10995.9, 0.00310918/step Wall: 10995.9, 0.00310918/step, 1.32797 hours remaining, 234.523438 MB of memory in use. ENERGY: 3462400 3940.3819 20400.6974 14512.2728 257.2648 -203599.5027 2752.9583 0.0000 0.0000 51546.1355 -110189.7920 296.2363 -161735.9275 -109836.1218 297.6870 -37.8372 -3.8313 760455.7081 14.0109 14.1167 PRESSURE: 3462600 91.8128 114.148 -104.63 114.148 78.6856 51.7564 -104.63 51.7553 -400.721 GPRESSURE: 3462600 218.859 85.2058 -78.6033 143.486 43.9331 75.0337 -169.826 35.7413 -393.324 PRESSAVG: 3462600 26.4054 14.4533 -35.98 14.4533 -14.5572 -25.2909 -35.98 -25.2909 14.3584 GPRESSAVG: 3462600 25.6711 13.6582 -36.1983 15.9382 -15.4415 -26.0084 -37.5403 -22.1405 16.0498 TIMING: 3462600 CPU: 10996.5, 0.00311161/step Wall: 10996.5, 0.00311161/step, 1.32883 hours remaining, 234.523438 MB of memory in use. ENERGY: 3462600 3934.8786 20564.7370 14560.7851 224.8350 -203714.5241 2798.6322 0.0000 0.0000 51712.5591 -109918.0971 297.1928 -161630.6562 -109552.5702 297.5118 -76.7410 -43.5107 763237.0246 8.7356 8.7598 PRESSURE: 3462800 -311.705 -135.511 198.515 -135.51 -167.97 -110.618 198.514 -110.618 -217.382 GPRESSURE: 3462800 -222.719 -203.092 200.295 -72.1798 -221.091 -197.018 172.017 -90.3915 -170.582 PRESSAVG: 3462800 -2.91925 -25.2075 -11.7118 -25.2075 12.1805 37.4275 -11.7118 37.4275 23.8132 GPRESSAVG: 3462800 -2.87269 -24.293 -11.4047 -24.818 13.0339 37.6137 -13.0331 35.2298 22.5219 TIMING: 3462800 CPU: 10997.1, 0.00312182/step Wall: 10997.1, 0.00312182/step, 1.33302 hours remaining, 234.523438 MB of memory in use. ENERGY: 3462800 3942.9279 20594.1566 14452.4862 252.7785 -203148.6680 2315.0073 0.0000 0.0000 51731.2947 -109860.0167 297.3005 -161591.3114 -109500.0481 297.7990 -232.3524 -204.7976 759814.9166 11.0248 10.8944 PRESSURE: 3463000 -103.063 129.094 16.1395 129.094 -101.687 16.7436 16.1393 16.7437 -123.919 GPRESSURE: 3463000 -140.292 29.3987 -13.1789 157.976 -79.3149 50.0965 -56.9073 123.942 -32.959 PRESSAVG: 3463000 -15.2526 -17.8785 -1.56832 -17.8785 9.43117 44.3328 -1.5684 44.3328 1.63513 GPRESSAVG: 3463000 -14.3623 -16.3421 -3.72795 -20.3065 8.99482 44.698 0.664768 45.1588 0.974435 TIMING: 3463000 CPU: 10997.7, 0.00311179/step Wall: 10997.7, 0.00311179/step, 1.32856 hours remaining, 234.523438 MB of memory in use. ENERGY: 3463000 3990.0550 20402.7350 14470.5806 253.7807 -203373.5798 2507.4173 0.0000 0.0000 51973.4207 -109775.5904 298.6920 -161749.0111 -109412.0740 298.2450 -109.5561 -84.1886 761134.6928 -1.3954 -1.4643 PRESSURE: 3463200 27.9134 -22.3807 68.0476 -22.3815 33.2134 -163.765 68.0482 -163.764 210.892 GPRESSURE: 3463200 136.323 -159.584 56.9783 -88.2207 64.1599 -116.237 14.3992 -81.8398 160.642 PRESSAVG: 3463200 -7.48291 4.22878 -63.7663 4.22881 29.8671 11.8771 -63.7662 11.8771 -19.9788 GPRESSAVG: 3463200 -7.47403 4.60036 -62.8438 4.85696 29.5296 11.877 -65.0334 13.0725 -19.1042 TIMING: 3463200 CPU: 10998.4, 0.00310182/step Wall: 10998.4, 0.00310182/step, 1.32413 hours remaining, 234.523438 MB of memory in use. ENERGY: 3463200 3946.1846 20312.1933 14504.8276 257.2125 -203322.6413 2419.9829 0.0000 0.0000 51915.7097 -109966.5307 298.3603 -161882.2404 -109598.4126 298.3138 90.6730 120.3749 761558.0811 0.8018 0.9838 PRESSURE: 3463400 202.391 114.443 -147.759 114.443 -109.28 -133.866 -147.759 -133.866 -36.8384 GPRESSURE: 3463400 199.783 71.6532 -122.58 89.0975 -59.6687 -147.809 -89.8627 -88.4764 0.625068 PRESSAVG: 3463400 9.29591 34.9827 -12.1453 34.9828 -51.8601 -43.5881 -12.1453 -43.5882 12.5886 GPRESSAVG: 3463400 7.34659 36.6863 -10.484 33.151 -51.0526 -42.6433 -12.6379 -45.9325 13.6525 TIMING: 3463400 CPU: 10999, 0.00310358/step Wall: 10999, 0.00310358/step, 1.32471 hours remaining, 234.523438 MB of memory in use. ENERGY: 3463400 3921.5237 20481.6060 14526.6847 248.4286 -203785.8665 2693.6736 0.0000 0.0000 51944.8314 -109969.1186 298.5277 -161913.9500 -109603.5537 297.4443 18.7576 46.9133 760715.8785 -9.9919 -10.0179 PRESSURE: 3463600 -3.52042 81.773 -78.8927 81.7729 337.779 -49.0412 -78.893 -49.0412 110.815 GPRESSURE: 3463600 -49.1608 72.9277 -59.9129 137.733 419.4 -11.0282 -22.1468 69.8569 161.895 PRESSAVG: 3463600 -49.6548 -68.8575 -1.33081 -68.8575 -8.41974 -36.7929 -1.33078 -36.7929 -30.7072 GPRESSAVG: 3463600 -48.6488 -70.8136 -3.62776 -67.2468 -9.52991 -37.4618 0.175851 -34.0542 -30.8562 TIMING: 3463600 CPU: 10999.6, 0.00311739/step Wall: 10999.6, 0.00311739/step, 1.33043 hours remaining, 234.523438 MB of memory in use. ENERGY: 3463600 4011.0277 20507.6672 14457.3364 248.0759 -203696.0013 2754.2409 0.0000 0.0000 51686.1623 -110031.4909 297.0411 -161717.6532 -109667.6885 297.4092 148.3578 177.3782 760245.6605 -29.5939 -29.6783 PRESSURE: 3463800 82.2493 15.3688 213.404 15.3695 279.177 -6.08902 213.404 -6.08889 -167.873 GPRESSURE: 3463800 124.919 2.50821 197.669 -6.32965 277.072 -125.314 179.817 -51.2001 -149.332 PRESSAVG: 3463800 -18.0393 6.92382 3.45447 6.92382 51.6689 -19.7141 3.4545 -19.7142 -18.2737 GPRESSAVG: 3463800 -19.1102 5.8107 3.04027 7.10824 53.5457 -20.4731 5.74105 -19.2322 -19.8179 TIMING: 3463800 CPU: 11000.2, 0.00311237/step Wall: 11000.2, 0.00311237/step, 1.32812 hours remaining, 234.523438 MB of memory in use. ENERGY: 3463800 4067.4347 20427.0195 14574.9396 234.9394 -203949.7434 2744.6052 0.0000 0.0000 52017.6092 -109883.1958 298.9459 -161900.8050 -109515.7010 297.9570 64.5178 84.2197 760545.1708 5.1186 4.8725 PRESSURE: 3464000 127.567 10.3951 -33.5298 10.3953 141.836 1.17898 -33.5301 1.17929 261.778 GPRESSURE: 3464000 164.492 -40.2896 -92.22 47.6232 161.693 30.0545 -181.169 -80.967 273.981 PRESSAVG: 3464000 -46.5218 -12.6603 -4.47897 -12.6603 5.0185 14.4184 -4.47901 14.4184 -0.211028 GPRESSAVG: 3464000 -45.7674 -12.5807 -2.10026 -10.9942 2.71942 15.5319 -9.71057 10.3464 1.27838 TIMING: 3464000 CPU: 11000.8, 0.00311902/step Wall: 11000.8, 0.00311902/step, 1.33078 hours remaining, 234.523438 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: 3464000 3870.6987 20581.7663 14476.1836 239.2536 -203897.9860 2789.5337 0.0000 0.0000 51906.4205 -110034.1296 298.3069 -161940.5501 -109668.5385 298.0531 177.0603 200.0553 760658.8284 -13.9048 -13.9232 PRESSURE: 3464200 -33.5558 -211.553 32.5597 -211.553 605.389 31.6311 32.5595 31.6309 329.784 GPRESSURE: 3464200 139.987 -218.652 -4.37723 -188.198 477.14 118.379 90.701 39.1962 361.129 PRESSAVG: 3464200 -27.7025 38.0928 34.3985 38.0928 34.0415 16.6698 34.3985 16.6699 -4.25719 GPRESSAVG: 3464200 -26.0756 37.4481 33.991 37.8152 32.954 15.2484 34.5414 20.6327 -4.98527 TIMING: 3464200 CPU: 11001.5, 0.00313158/step Wall: 11001.5, 0.00313158/step, 1.33597 hours remaining, 234.593750 MB of memory in use. ENERGY: 3464200 3929.0038 20600.0442 14522.8550 258.7527 -203810.3359 2748.5600 0.0000 0.0000 51860.2518 -109890.8683 298.0416 -161751.1201 -109514.2132 298.1888 300.5391 326.0853 761274.1991 0.6939 0.6311 LDB: ============= START OF LOAD BALANCING ============== 11013.9 LDB: ============== END OF LOAD BALANCING =============== 11013.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11013.9 LDB: ============= START OF LOAD BALANCING ============== 11014.2 LDB: Largest compute 7052 load 0.030331 is 15.5% of average load 0.195517 LDB: Average compute 0.004411 is 2.3% of average load 0.195517 LDB: TIME 11014.2 LOAD: AVG 0.195517 MAX 0.215388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.172 MB LDB: TIME 11014.2 LOAD: AVG 0.195517 MAX 0.215388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.43 MB LDB: TIME 11014.2 LOAD: AVG 0.195517 MAX 0.215388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.43 MB LDB: ============== END OF LOAD BALANCING =============== 11014.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11014.2 PRESSURE: 3464400 124.479 183.001 45.4474 183 -171.874 79.6047 45.4483 79.6041 185.491 GPRESSURE: 3464400 89.0845 106.366 24.7563 165.244 -178.549 42.35 66.3082 9.50861 316.216 PRESSAVG: 3464400 22.3624 -10.8787 -26.3554 -10.8787 -17.2606 -20.3943 -26.3554 -20.3944 -0.869133 GPRESSAVG: 3464400 19.5571 -10.7726 -24.8207 -11.6503 -15.7799 -21.9666 -27.4729 -21.6033 -0.308222 TIMING: 3464400 CPU: 11002.1, 0.00319617/step Wall: 11002.1, 0.00319617/step, 1.36334 hours remaining, 233.929688 MB of memory in use. ENERGY: 3464400 4019.5213 20415.0185 14517.5190 256.3319 -203622.5542 2552.1171 0.0000 0.0000 51932.1775 -109929.8689 298.4549 -161862.0464 -109574.9233 298.2392 46.0320 75.5841 762137.4518 1.4109 1.1563 PRESSURE: 3464600 74.5657 -149.368 67.6967 -149.368 -122.717 59.8619 67.6963 59.8621 252.63 GPRESSURE: 3464600 165.829 -120.575 110.278 -182.36 -95.8094 8.82423 40.1873 84.4582 228.267 PRESSAVG: 3464600 14.6392 -4.16085 9.43184 -4.1609 -35.2906 -10.0139 9.43187 -10.0139 -10.7463 GPRESSAVG: 3464600 15.3012 -3.05991 7.29169 -3.62959 -35.1368 -8.36483 11.1092 -9.66904 -11.4436 TIMING: 3464600 CPU: 11002.7, 0.00312914/step Wall: 11002.7, 0.00312914/step, 1.33458 hours remaining, 234.203125 MB of memory in use. ENERGY: 3464600 3993.7447 20372.4243 14598.1035 254.6312 -203663.0932 2765.3904 0.0000 0.0000 52058.0514 -109620.7477 299.1783 -161678.7991 -109255.9277 298.3283 68.1595 99.4288 762182.9990 -10.4659 -10.4264 PRESSURE: 3464800 8.65369 142.873 -257.376 142.873 -135.994 -108.67 -257.378 -108.669 24.4553 GPRESSURE: 3464800 -34.5987 156.411 -346.328 -0.432059 -21.8857 -134.047 -228.82 -162.073 37.673 PRESSAVG: 3464800 -30.7012 1.26605 2.97516 1.26612 -23.0142 -20.7775 2.97514 -20.7775 20.9648 GPRESSAVG: 3464800 -30.5637 0.559101 2.30423 1.59302 -22.5313 -20.1729 2.87652 -21.3694 20.5321 TIMING: 3464800 CPU: 11003.4, 0.00312554/step Wall: 11003.4, 0.00312554/step, 1.33287 hours remaining, 234.203125 MB of memory in use. ENERGY: 3464800 3924.2953 20395.3638 14536.3878 263.6091 -203263.6198 2421.4878 0.0000 0.0000 52090.7488 -109631.7272 299.3662 -161722.4760 -109263.3531 298.3971 -34.2951 -6.2704 761530.5379 -10.9169 -10.8543 PRESSURE: 3465000 -42.484 149.838 -303.437 149.838 -298.913 5.77734 -303.438 5.77735 232.266 GPRESSURE: 3465000 -32.2284 187.056 -259.216 91.699 -311.199 -74.141 -7.596 -4.84452 306.589 PRESSAVG: 3465000 7.41216 -17.9537 -9.99235 -17.9538 4.05207 -43.4015 -9.99236 -43.4014 -14.7835 GPRESSAVG: 3465000 8.03723 -17.2323 -7.92719 -19.138 2.77222 -46.8263 -8.09865 -43.7415 -14.1272 TIMING: 3465000 CPU: 11004, 0.00312161/step Wall: 11004, 0.00312161/step, 1.33102 hours remaining, 234.203125 MB of memory in use. ENERGY: 3465000 4021.0826 20540.9546 14569.2275 252.7606 -203234.5804 2535.1169 0.0000 0.0000 51745.8802 -109569.5579 297.3843 -161315.4382 -109216.8268 298.6254 -36.3769 -12.2798 764880.9335 -1.1064 -1.1059 PRESSURE: 3465200 -78.4164 -268.296 140.633 -268.296 81.3974 10.7841 140.634 10.7853 9.46496 GPRESSURE: 3465200 -47.8035 -181.743 -71.8262 -221.637 115.51 24.7822 23.924 203.374 37.2619 PRESSAVG: 3465200 -6.37019 -20.107 32.2469 -20.107 -9.47889 -76.7024 32.247 -76.7024 16.0554 GPRESSAVG: 3465200 -6.1638 -19.4053 29.2889 -18.8646 -9.10179 -73.9626 32.7895 -74.0594 14.6271 TIMING: 3465200 CPU: 11004.6, 0.00311447/step Wall: 11004.6, 0.00311447/step, 1.3278 hours remaining, 234.203125 MB of memory in use. ENERGY: 3465200 3946.3133 20596.3289 14537.6317 250.8006 -203491.4470 2642.1307 0.0000 0.0000 51866.5161 -109651.7256 298.0776 -161518.2418 -109298.6756 298.6438 4.1487 34.9894 762816.2733 0.0688 -0.2128 PRESSURE: 3465400 -116.158 -251.77 168.188 -251.77 69.0361 18.5914 168.187 18.5913 105.794 GPRESSURE: 3465400 28.462 -153.687 205.816 -276.139 52.9268 -3.95134 126.294 -51.2656 68.3828 PRESSAVG: 3465400 9.1944 -69.6157 22.5104 -69.6158 13.7317 41.2541 22.5104 41.2542 2.32237 GPRESSAVG: 3465400 8.82896 -69.1379 25.7951 -71.992 13.5989 41.146 22.9916 39.6085 3.03259 TIMING: 3465400 CPU: 11005.2, 0.00310446/step Wall: 11005.2, 0.00310446/step, 1.32336 hours remaining, 234.402344 MB of memory in use. ENERGY: 3465400 3959.5776 20514.8080 14548.9460 253.5249 -203275.8753 2557.2412 0.0000 0.0000 51956.1897 -109485.5879 298.5929 -161441.7776 -109130.7317 298.7515 19.5576 49.9239 760760.1492 8.4162 8.4868 PRESSURE: 3465600 -84.7155 -59.9214 273.281 -59.921 -163.771 57.1198 273.281 57.1185 25.0654 GPRESSURE: 3465600 -108.381 -51.572 298.186 -99.9811 -40.0818 173.236 302.286 -10.4581 10.5216 PRESSAVG: 3465600 -28.3372 -57.2429 26.4736 -57.2429 16.546 -17.8777 26.4736 -17.8777 15.0626 GPRESSAVG: 3465600 -28.51 -59.2024 25.0368 -56.096 16.5742 -18.2399 24.7065 -19.528 15.4162 TIMING: 3465600 CPU: 11005.9, 0.00311783/step Wall: 11005.9, 0.00311783/step, 1.32889 hours remaining, 234.472656 MB of memory in use. ENERGY: 3465600 4101.9876 20554.5676 14523.2504 253.5409 -203213.3588 2617.1519 0.0000 0.0000 52035.0350 -109127.8254 299.0461 -161162.8604 -108772.6477 299.2530 -74.4736 -45.9805 762325.3739 1.0905 1.1601 PRESSURE: 3465800 -96.0125 -50.6001 -277.888 -50.6006 -90.8486 5.65811 -277.888 5.65819 296.934 GPRESSURE: 3465800 5.66017 -128.462 -270.358 -3.57805 -155.548 -24.5515 -238.683 102.892 337.426 PRESSAVG: 3465800 41.6175 -27.4799 13.0307 -27.4799 15.8805 19.2432 13.0307 19.2432 27.1784 GPRESSAVG: 3465800 42.7198 -26.7903 12.4083 -24.9976 15.5741 20.2242 14.0456 19.4913 26.7453 TIMING: 3465800 CPU: 11006.5, 0.00310553/step Wall: 11006.5, 0.00310553/step, 1.32347 hours remaining, 234.472656 MB of memory in use. ENERGY: 3465800 3995.9228 20552.9650 14594.1636 228.3379 -203257.7486 2479.6830 0.0000 0.0000 52185.4710 -109221.2053 299.9106 -161406.6763 -108863.7160 300.1706 36.6910 62.5128 761482.3790 28.2255 28.3464 PRESSURE: 3466000 123.791 -124.996 91.7107 -124.996 -223.399 -12.6843 91.7115 -12.6847 -290.64 GPRESSURE: 3466000 30.7203 -190.661 35.3111 -101.794 -32.8892 -3.28448 288.399 41.9756 -277.091 PRESSAVG: 3466000 -3.38677 -22.9508 13.609 -22.9507 44.3279 30.2791 13.6091 30.2791 9.88863 GPRESSAVG: 3466000 -2.73167 -23.4685 14.9058 -25.2952 44.3911 29.9607 13.5712 31.9604 10.0391 TIMING: 3466000 CPU: 11007.1, 0.00310485/step Wall: 11007.1, 0.00310485/step, 1.32301 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3466000 4038.4751 20693.7906 14549.7763 254.3906 -203480.0119 2602.7913 0.0000 0.0000 52030.6678 -109310.1202 299.0210 -161340.7880 -108948.3353 299.7318 -130.0829 -93.0865 761706.7571 16.9432 17.2329 PRESSURE: 3466200 18.3578 360.766 198.192 360.765 -45.013 204.243 198.192 204.243 -296.068 GPRESSURE: 3466200 -10.7714 252.959 110.043 286.573 63.4881 138.922 132.624 185.577 -286.166 PRESSAVG: 3466200 -39.229 33.2622 -2.99363 33.2622 57.5083 1.04096 -2.99368 1.04107 -6.9975 GPRESSAVG: 3466200 -39.7195 33.5511 -4.60398 33.9463 57.9334 0.00952286 -2.80279 -0.541811 -6.81737 TIMING: 3466200 CPU: 11007.7, 0.00311352/step Wall: 11007.7, 0.00311352/step, 1.32653 hours remaining, 234.472656 MB of memory in use. ENERGY: 3466200 4050.1723 20593.7025 14492.4250 252.8783 -203396.9290 2583.1440 0.0000 0.0000 51950.9798 -109473.6271 298.5630 -161424.6069 -109117.4429 299.3822 -107.5745 -77.8165 761929.5438 3.7606 3.7988 PRESSURE: 3466400 -249.94 -5.91164 -21.9084 -5.91081 -124.283 77.8908 -21.9074 77.891 -97.7308 GPRESSURE: 3466400 -198.211 78.0036 -63.9348 57.3216 -128.201 66.1423 2.87855 -72.68 -58.5932 PRESSAVG: 3466400 61.2443 11.7502 -13.3826 11.7502 -3.73126 2.45006 -13.3827 2.45005 -9.46628 GPRESSAVG: 3466400 62.0369 12.0552 -11.2688 13.112 -4.64861 3.6515 -14.7016 3.69248 -9.46841 TIMING: 3466400 CPU: 11008.3, 0.00309313/step Wall: 11008.3, 0.00309313/step, 1.31767 hours remaining, 234.472656 MB of memory in use. ENERGY: 3466400 3951.6466 20533.4617 14495.2752 223.0245 -203454.1978 2443.0204 0.0000 0.0000 52100.4714 -109707.2979 299.4221 -161807.7694 -109341.8277 298.9566 -157.3178 -128.3349 761823.8835 16.0156 15.9733 PRESSURE: 3466600 -82.2578 10.6316 160.8 10.632 -40.9299 -26.9695 160.801 -26.97 -314.399 GPRESSURE: 3466600 -75.2369 27.3688 213.779 66.5246 65.9753 12.7975 83.3558 60.6692 -347.543 PRESSAVG: 3466600 6.0885 6.61207 -0.459609 6.61211 -22.1787 0.49203 -0.459613 0.492059 7.89295 GPRESSAVG: 3466600 4.81501 6.56083 -1.07629 5.15886 -20.6687 0.204477 -1.58579 -0.441552 7.69379 TIMING: 3466600 CPU: 11009, 0.00311603/step Wall: 11009, 0.00311603/step, 1.32726 hours remaining, 234.472656 MB of memory in use. ENERGY: 3466600 4012.0531 20495.4297 14495.8982 246.0078 -203861.2461 2813.2599 0.0000 0.0000 52005.2498 -109793.3475 298.8749 -161798.5974 -109431.5995 298.7137 -145.8622 -118.9350 762582.0032 -2.7324 -2.7200 PRESSURE: 3466800 175.085 53.0446 -81.3678 53.0444 -42.7826 147.97 -81.3687 147.97 136.559 GPRESSURE: 3466800 212.971 104.518 9.97021 38.3245 -28.5377 55.302 -211.239 174.394 172.339 PRESSAVG: 3466800 42.4769 -15.2933 29.0252 -15.2933 -24.3792 6.86484 29.0252 6.86488 -0.42991 GPRESSAVG: 3466800 42.4127 -16.2256 28.5598 -15.7946 -25.2897 5.586 29.7912 7.56682 0.519602 TIMING: 3466800 CPU: 11009.6, 0.0031226/step Wall: 11009.6, 0.0031226/step, 1.32988 hours remaining, 234.472656 MB of memory in use. ENERGY: 3466800 3955.1042 20510.6256 14582.1186 243.0499 -203592.8788 2411.0231 0.0000 0.0000 52201.1402 -109689.8172 300.0007 -161890.9575 -109325.5344 298.4146 89.6206 118.9240 761104.0857 5.8893 5.8809 PRESSURE: 3467000 -119.663 -43.4977 -162.752 -43.4974 -85.7522 -63.2536 -162.751 -63.2536 -163.024 GPRESSURE: 3467000 -61.3358 -33.3068 -89.1996 -14.8624 -90.6118 -64.7627 -202.169 5.27833 -125.772 PRESSAVG: 3467000 64.9966 3.42281 -44.757 3.42275 -38.436 14.6608 -44.757 14.6607 -18.2642 GPRESSAVG: 3467000 65.4766 3.84815 -44.8153 3.0171 -39.7179 15.6477 -43.6621 15.4226 -18.3156 TIMING: 3467000 CPU: 11010.2, 0.00313561/step Wall: 11010.2, 0.00313561/step, 1.33525 hours remaining, 234.472656 MB of memory in use. ENERGY: 3467000 3987.2889 20467.6433 14543.0377 262.0504 -203609.4268 2691.5157 0.0000 0.0000 52048.3672 -109609.5236 299.1227 -161657.8908 -109254.2906 298.7305 -122.8128 -92.5731 761600.3947 2.7655 2.4810 PRESSURE: 3467200 -257.767 -78.6145 -50.9819 -78.6157 151.14 -85.8153 -50.9815 -85.8153 -88.3803 GPRESSURE: 3467200 -128.651 39.733 -18.1383 -120.723 133.135 -75.5005 -186.977 75.9443 -99.0343 PRESSAVG: 3467200 -12.7629 -8.95412 -38.4176 -8.95414 0.726974 26.3806 -38.4176 26.3805 6.57433 GPRESSAVG: 3467200 -11.6482 -7.13012 -39.3281 -8.97283 0.44326 25.5417 -38.0059 27.787 5.82257 TIMING: 3467200 CPU: 11010.8, 0.00310366/step Wall: 11010.8, 0.00310366/step, 1.32147 hours remaining, 234.472656 MB of memory in use. ENERGY: 3467200 3961.0225 20613.6073 14525.5543 243.1417 -203794.1877 2704.5785 0.0000 0.0000 52218.2315 -109528.0520 300.0989 -161746.2835 -109167.4656 298.8548 -65.0026 -31.5168 762341.4554 -1.8205 -1.7941 PRESSURE: 3467400 142.049 -63.2377 6.24689 -63.2378 279.125 -103.544 6.2474 -103.544 500.056 GPRESSURE: 3467400 209.087 -119.449 0.696963 -80.4019 315.757 -146.964 -1.2177 -247.628 474.503 PRESSAVG: 3467400 6.69761 14.9646 5.93058 14.9646 -0.0181568 11.8792 5.93059 11.8791 -12.0806 GPRESSAVG: 3467400 6.34395 13.755 7.45456 13.9765 0.624179 13.6441 5.89054 10.5034 -11.9458 TIMING: 3467400 CPU: 11011.5, 0.00309744/step Wall: 11011.5, 0.00309744/step, 1.31865 hours remaining, 234.472656 MB of memory in use. ENERGY: 3467400 3973.6440 20651.9523 14523.7299 245.1122 -203658.2600 2838.1922 0.0000 0.0000 52055.1102 -109370.5191 299.1614 -161425.6293 -109005.4389 299.1437 307.0768 333.1156 760765.3127 -1.8004 -1.6592 PRESSURE: 3467600 180.185 143.547 138.591 143.546 211.348 218.353 138.59 218.354 284.257 GPRESSURE: 3467600 237.167 119.388 125.782 226.006 221.655 228.777 -38.1572 136.568 306.329 PRESSAVG: 3467600 -0.250344 -33.4462 30.2413 -33.4462 -21.4144 -15.1169 30.2413 -15.1169 8.19053 GPRESSAVG: 3467600 -1.5125 -33.8461 31.1283 -31.0482 -20.4891 -14.751 28.5368 -17.931 8.5865 TIMING: 3467600 CPU: 11012.1, 0.00310416/step Wall: 11012.1, 0.00310416/step, 1.32134 hours remaining, 234.472656 MB of memory in use. ENERGY: 3467600 4078.8469 20579.8061 14591.6283 245.3509 -203702.0660 2924.5414 0.0000 0.0000 51955.6175 -109326.2749 298.5896 -161281.8924 -108959.6671 299.4790 225.2630 255.0506 761849.1302 -4.4914 -4.4717 PRESSURE: 3467800 -90.7612 -116.009 -135.372 -116.009 263.61 138.583 -135.372 138.582 -159.132 GPRESSURE: 3467800 -25.2874 -241.307 -97.3569 -74.3447 325.243 130.848 -63.8892 88.3944 -210.31 PRESSAVG: 3467800 10.723 -19.7791 53.471 -19.7791 8.68476 15.5231 53.471 15.5231 -9.31389 GPRESSAVG: 3467800 9.91845 -19.1861 53.0309 -19.7199 10.0603 15.4275 52.1873 15.685 -9.70431 TIMING: 3467800 CPU: 11012.7, 0.00309725/step Wall: 11012.7, 0.00309725/step, 1.31822 hours remaining, 234.472656 MB of memory in use. ENERGY: 3467800 3942.8469 20412.6836 14483.0906 245.1327 -203344.3025 2442.7594 0.0000 0.0000 52570.6128 -109247.1765 302.1240 -161817.7893 -108880.8040 299.8520 4.5723 29.8819 759844.5395 3.3646 3.4248 PRESSURE: 3468000 121.849 -80.183 91.9153 -80.1821 -185.99 -302.469 91.9151 -302.469 284.114 GPRESSURE: 3468000 160.722 -83.9031 67.4838 -23.8039 -165.01 -256.626 -3.55468 -157.478 308.827 PRESSAVG: 3468000 21.4865 -8.84111 33.1262 -8.84107 -23.8553 5.9798 33.1263 5.97975 -2.04803 GPRESSAVG: 3468000 22.1024 -7.41734 32.0515 -10.3002 -25.0846 4.92323 35.5022 9.03231 -1.30088 TIMING: 3468000 CPU: 11013.3, 0.00311103/step Wall: 11013.3, 0.00311103/step, 1.32392 hours remaining, 234.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3468000 4010.8697 20486.6921 14543.2747 244.9972 -203452.6213 2762.2619 0.0000 0.0000 51991.6306 -109412.8953 298.7966 -161404.5258 -109043.7349 299.8735 73.3245 101.5129 760604.8530 -1.4723 -1.4277 PRESSURE: 3468200 20.8985 170.361 67.5137 170.361 -37.5306 259.747 67.5129 259.747 -304.41 GPRESSURE: 3468200 -39.4848 245.564 59.9336 197.711 87.9806 218.107 36.8878 251.138 -286.205 PRESSAVG: 3468200 36.4758 -15.2353 -37.7128 -15.2353 -41.7227 32.4628 -37.7128 32.4628 -14.4061 GPRESSAVG: 3468200 36.6769 -17.1098 -36.7132 -15.0505 -41.2731 31.307 -39.6595 33.7082 -14.9437 TIMING: 3468200 CPU: 11013.9, 0.00310935/step Wall: 11013.9, 0.00310935/step, 1.32303 hours remaining, 234.472656 MB of memory in use. ENERGY: 3468200 3955.0118 20436.4236 14451.0413 265.9240 -203245.5852 2474.8000 0.0000 0.0000 52141.7650 -109520.6195 299.6594 -161662.3845 -109148.4161 299.3831 -107.0141 -79.2364 761227.4846 -6.5510 -6.5133 LDB: ============= START OF LOAD BALANCING ============== 11026.4 LDB: ============== END OF LOAD BALANCING =============== 11026.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11026.4 LDB: ============= START OF LOAD BALANCING ============== 11026.7 LDB: Largest compute 7036 load 0.030423 is 15.6% of average load 0.195639 LDB: Average compute 0.004371 is 2.2% of average load 0.195639 LDB: TIME 11026.7 LOAD: AVG 0.195639 MAX 0.215593 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.078 MB LDB: TIME 11026.7 LOAD: AVG 0.195639 MAX 0.215593 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: TIME 11026.7 LOAD: AVG 0.195639 MAX 0.215593 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: ============== END OF LOAD BALANCING =============== 11026.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11026.7 PRESSURE: 3468400 -163.476 69.4882 188.117 69.4877 -169.829 22.1986 188.117 22.1978 -204.083 GPRESSURE: 3468400 -81.5833 145.315 55.8265 44.979 -148.009 78.8746 187.069 5.98659 -217.5 PRESSAVG: 3468400 6.23192 -44.0606 3.88709 -44.0606 -21.0749 -7.97956 3.88702 -7.97951 -11.1853 GPRESSAVG: 3468400 6.12913 -43.8552 3.51576 -46.859 -21.2553 -6.20326 3.23506 -9.20154 -10.7192 TIMING: 3468400 CPU: 11014.6, 0.00319173/step Wall: 11014.6, 0.00319173/step, 1.3579 hours remaining, 234.074219 MB of memory in use. ENERGY: 3468400 4006.2940 20349.5131 14516.8642 250.6781 -202926.7209 2375.9280 0.0000 0.0000 52044.7149 -109382.7286 299.1017 -161427.4434 -109023.6986 299.3019 -179.1291 -149.0309 761814.5171 -8.6761 -8.6151 PRESSURE: 3468600 -93.6012 -34.928 -59.6467 -34.9275 -42.0071 46.0935 -59.647 46.0936 -213.413 GPRESSURE: 3468600 -51.7983 -123.294 -30.7351 -6.09142 -19.9957 61.1232 -75.1065 30.8731 -212.228 PRESSAVG: 3468600 -10.2008 -30.7283 -17.7119 -30.7284 -1.33793 26.3524 -17.7119 26.3523 1.98591 GPRESSAVG: 3468600 -9.71066 -28.6532 -16.9069 -29.0622 -2.37448 25.8171 -17.272 26.2313 1.5537 TIMING: 3468600 CPU: 11015.2, 0.00311497/step Wall: 11015.2, 0.00311497/step, 1.32507 hours remaining, 234.277344 MB of memory in use. ENERGY: 3468600 3920.2127 20483.1640 14461.3567 248.1555 -203087.6907 2467.6662 0.0000 0.0000 52005.9849 -109501.1505 298.8791 -161507.1354 -109143.6515 298.7563 -116.3405 -94.6739 760918.3188 -3.1843 -3.5105 PRESSURE: 3468800 -62.4319 0.739181 -101.425 0.739431 -545.79 -34.2863 -101.426 -34.2853 -261.937 GPRESSURE: 3468800 -5.85836 59.7747 -122.302 -60.5145 -547.383 -54.0614 -94.2371 36.1722 -238.754 PRESSAVG: 3468800 100.857 -15.2194 -48.5333 -15.2194 -105.862 43.0987 -48.5333 43.0987 4.88371 GPRESSAVG: 3468800 101.861 -16.9399 -49.8963 -14.3938 -106.735 42.5255 -48.1711 40.6871 5.44774 TIMING: 3468800 CPU: 11015.8, 0.00312321/step Wall: 11015.8, 0.00312321/step, 1.32841 hours remaining, 234.277344 MB of memory in use. ENERGY: 3468800 3991.5179 20397.1438 14475.8669 243.5370 -203168.2902 2459.0438 0.0000 0.0000 52061.5789 -109539.6019 299.1986 -161601.1808 -109184.4943 298.7179 -290.0531 -263.9982 761668.8289 -0.0405 0.1915 PRESSURE: 3469000 -60.3131 48.5778 -49.7611 48.5772 -136.559 -24.0012 -49.7612 -24.0001 -90.0773 GPRESSURE: 3469000 -13.8623 131.533 -87.393 102.005 -68.8622 37.2847 -48.8471 -94.8268 -130.704 PRESSAVG: 3469000 45.5444 -9.60214 -11.389 -9.60219 -18.0536 -42.7529 -11.389 -42.753 -3.80171 GPRESSAVG: 3469000 44.516 -10.1487 -11.2036 -8.48168 -16.8797 -41.123 -12.0487 -41.2648 -4.31252 TIMING: 3469000 CPU: 11016.4, 0.00311638/step Wall: 11016.4, 0.00311638/step, 1.32533 hours remaining, 234.277344 MB of memory in use. ENERGY: 3469000 3944.9199 20410.1798 14468.9617 238.3341 -203285.3246 2630.1551 0.0000 0.0000 52172.4306 -109420.3434 299.8357 -161592.7740 -109050.0706 299.0568 -95.6499 -71.1427 761674.6468 7.8964 7.7746 PRESSURE: 3469200 116.17 140.537 -108.493 140.536 -190.276 -124.523 -108.493 -124.522 329.523 GPRESSURE: 3469200 247.283 121.089 -76.8413 73.7755 -190.001 -177.096 -131.458 -97.868 291.309 PRESSAVG: 3469200 69.4921 22.2662 -20.8719 22.2662 -91.5317 -10.3539 -20.8719 -10.3539 12.7699 GPRESSAVG: 3469200 70.2752 24.4481 -20.5932 20.4035 -91.7181 -12.1655 -18.9379 -10.6015 12.1145 TIMING: 3469200 CPU: 11017.1, 0.00311583/step Wall: 11017.1, 0.00311583/step, 1.32492 hours remaining, 234.277344 MB of memory in use. ENERGY: 3469200 3982.0775 20503.4245 14534.0983 270.2555 -203507.6391 2694.7656 0.0000 0.0000 52197.6426 -109325.3752 299.9806 -161523.0178 -108969.2986 299.0008 85.1391 116.1969 760018.8948 -3.0899 -3.1095 PRESSURE: 3469400 -207.801 -127.472 13.2481 -127.471 86.1522 -35.1446 13.2468 -35.1436 136.009 GPRESSURE: 3469400 -286.037 -3.20016 151.821 -203.964 227.49 -1.87274 -114.535 64.6415 159.269 PRESSAVG: 3469400 32.7081 -15.1345 15.5933 -15.1345 -21.2123 -46.5013 15.5934 -46.5012 -12.4272 GPRESSAVG: 3469400 30.0513 -16.7928 15.3609 -16.0048 -20.2153 -45.1378 16.2498 -46.4486 -11.1671 TIMING: 3469400 CPU: 11017.7, 0.00312213/step Wall: 11017.7, 0.00312213/step, 1.32743 hours remaining, 234.277344 MB of memory in use. ENERGY: 3469400 3958.6447 20626.0932 14480.3368 255.4126 -203297.0905 2389.1602 0.0000 0.0000 52113.9691 -109473.4738 299.4997 -161587.4429 -109115.7286 299.9014 4.7870 33.5739 761858.6541 -0.3104 -0.4437 PRESSURE: 3469600 230.113 -212.484 317.713 -212.483 -211.029 -246.207 317.713 -246.207 -358.49 GPRESSURE: 3469600 279.062 -105.35 271.384 -156.36 -120.406 -216.731 158.163 -17.1662 -427.728 PRESSAVG: 3469600 10.2506 -56.3846 41.6488 -56.3845 -9.74542 -4.99359 41.6488 -4.99356 5.67389 GPRESSAVG: 3469600 12.0024 -55.6172 41.509 -55.5149 -10.016 -3.58077 40.1499 -3.90473 4.67878 TIMING: 3469600 CPU: 11018.3, 0.00313128/step Wall: 11018.3, 0.00313128/step, 1.33114 hours remaining, 234.277344 MB of memory in use. ENERGY: 3469600 4026.9949 20488.3966 14470.8216 244.2404 -203743.4246 2657.9595 0.0000 0.0000 52105.9428 -109749.0689 299.4536 -161855.0118 -109392.4576 299.1098 -113.1352 -89.6908 759996.4725 2.0597 2.2217 PRESSURE: 3469800 -189.302 31.7037 -301.198 31.7047 -181.822 76.3258 -301.199 76.3238 69.9328 GPRESSURE: 3469800 -116.195 24.4347 -200.498 -16.9689 -151.525 58.9589 -415.967 -161.986 38.4992 PRESSAVG: 3469800 29.9902 -53.1839 34.9954 -53.184 -14.0157 -3.71476 34.9955 -3.71474 2.95822 GPRESSAVG: 3469800 29.3001 -54.4916 32.5706 -52.5345 -13.2703 -6.30806 35.4297 -4.54973 2.94244 TIMING: 3469800 CPU: 11018.9, 0.00311712/step Wall: 11018.9, 0.00311712/step, 1.32495 hours remaining, 234.277344 MB of memory in use. ENERGY: 3469800 3933.9172 20428.1485 14502.5132 235.3445 -203542.7236 2528.7415 0.0000 0.0000 52066.4169 -109847.6418 299.2264 -161914.0587 -109497.3187 298.3928 -100.3971 -76.4067 761338.0444 6.3109 6.3241 PRESSURE: 3470000 217.401 33.9802 53.4821 33.9799 53.4641 118.826 53.4823 118.827 -70.0713 GPRESSURE: 3470000 227.953 -142.381 26.6546 18.4934 119.399 93.3232 213.489 115.636 -42.0985 PRESSAVG: 3470000 -14.977 11.5722 21.7081 11.5722 5.35407 -50.5606 21.7081 -50.5605 20.7957 GPRESSAVG: 3470000 -15.5103 10.6468 23.6049 12.5336 4.40554 -49.1635 20.9348 -50.3706 21.8809 TIMING: 3470000 CPU: 11019.6, 0.00312368/step Wall: 11019.6, 0.00312368/step, 1.32756 hours remaining, 234.277344 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: 3470000 3954.0941 20414.4506 14529.8025 239.5957 -203620.2397 2608.3821 0.0000 0.0000 52064.4315 -109809.4830 299.2150 -161873.9145 -109448.9593 298.6725 66.9313 101.7511 760372.6080 3.7243 3.5920 PRESSURE: 3470200 -381.224 28.2251 -182.597 28.2254 -45.2647 -126.372 -182.597 -126.371 166.991 GPRESSURE: 3470200 -267.914 87.0781 -37.7353 -22.5734 -80.0922 -93.4228 -89.77 -112.82 173.632 PRESSAVG: 3470200 14.3113 -36.7785 40.1962 -36.7785 -37.0382 -28.8161 40.1962 -28.8162 -3.21674 GPRESSAVG: 3470200 14.1695 -37.1737 40.3977 -37.5882 -36.5846 -28.7585 42.8313 -30.0682 -3.80901 TIMING: 3470200 CPU: 11020.2, 0.00311156/step Wall: 11020.2, 0.00311156/step, 1.32224 hours remaining, 234.277344 MB of memory in use. ENERGY: 3470200 3952.8927 20353.7062 14500.0544 251.6341 -203285.6353 2508.5174 0.0000 0.0000 51888.7401 -109830.0904 298.2053 -161718.8305 -109470.2601 298.2731 -86.4991 -58.1250 761447.0728 -8.6479 -8.7414 PRESSURE: 3470400 -34.4152 -112.1 126.996 -112.101 -420.244 53.8312 126.997 53.8318 168.378 GPRESSURE: 3470400 -0.446917 -195.198 115.12 -211.603 -363.671 132.572 31.9239 14.169 150.752 PRESSAVG: 3470400 9.8664 -14.8803 27.548 -14.8803 20.2548 -32.1486 27.5481 -32.1487 -16.4907 GPRESSAVG: 3470400 10.1179 -13.3071 28.0867 -13.7092 18.8144 -31.6656 25.7004 -30.301 -15.9155 TIMING: 3470400 CPU: 11020.8, 0.0031267/step Wall: 11020.8, 0.0031267/step, 1.3285 hours remaining, 234.277344 MB of memory in use. ENERGY: 3470400 3977.2282 20434.7591 14448.5412 239.9599 -202917.6330 2134.8318 0.0000 0.0000 51879.9409 -109802.3720 298.1547 -161682.3129 -109437.3383 298.8137 -95.4270 -71.1221 762117.3177 4.5435 4.3389 PRESSURE: 3470600 -19.7671 272.105 97.405 272.106 366.128 140.83 97.4049 140.829 -332.001 GPRESSURE: 3470600 53.0928 167.043 98.7765 176.904 395.544 96.0865 87.8122 112.175 -332.601 PRESSAVG: 3470600 -29.7483 1.07215 16.9754 1.07207 35.1185 30.2786 16.9753 30.2785 -27.2504 GPRESSAVG: 3470600 -30.6608 1.37927 16.5189 -0.0934383 36.7886 28.4841 19.5281 28.8285 -27.8022 TIMING: 3470600 CPU: 11021.4, 0.00311367/step Wall: 11021.4, 0.00311367/step, 1.32279 hours remaining, 234.277344 MB of memory in use. ENERGY: 3470600 3916.2829 20473.6884 14558.2585 253.9221 -203458.0446 2552.4557 0.0000 0.0000 51892.4092 -109811.0278 298.2264 -161703.4370 -109443.3306 298.3419 4.7864 38.6784 760393.9251 -7.2934 -7.2248 PRESSURE: 3470800 -173.657 -229.309 -42.2799 -229.309 78.8568 110.006 -42.2798 110.006 250.994 GPRESSURE: 3470800 -187.028 -215.791 -131.045 -220.397 149.341 42.3618 104.794 93.4367 282.806 PRESSAVG: 3470800 -7.78196 14.4935 69.5769 14.4936 23.5354 5.0919 69.577 5.09198 -2.66416 GPRESSAVG: 3470800 -7.13375 13.4617 69.0869 14.4123 23.1965 6.34498 70.2217 4.25853 -2.53754 TIMING: 3470800 CPU: 11022.1, 0.00312892/step Wall: 11022.1, 0.00312892/step, 1.32909 hours remaining, 234.277344 MB of memory in use. ENERGY: 3470800 3928.1769 20449.4624 14493.0360 275.4853 -203421.9557 2559.0811 0.0000 0.0000 52054.1140 -109662.6000 299.1557 -161716.7140 -109302.1159 298.3975 52.0644 81.7064 760266.1746 4.3631 4.5084 PRESSURE: 3471000 221.908 -3.03781 26.2475 -3.03755 -157.625 -46.3165 26.2488 -46.3174 -185.011 GPRESSURE: 3471000 213.263 28.8342 69.6195 -50.7843 -82.0862 -2.29314 -33.3836 66.1339 -161.407 PRESSAVG: 3471000 28.0826 23.6456 -36.1901 23.6456 -49.3902 8.08022 -36.1902 8.08011 4.36958 GPRESSAVG: 3471000 27.7877 23.967 -34.9552 24.2995 -49.9735 10.6201 -38.0755 8.47125 4.84364 TIMING: 3471000 CPU: 11022.7, 0.00312298/step Wall: 11022.7, 0.00312298/step, 1.3264 hours remaining, 234.277344 MB of memory in use. ENERGY: 3471000 3964.8355 20400.0108 14518.4789 244.1928 -203549.3442 2643.0609 0.0000 0.0000 52092.0482 -109686.7172 299.3737 -161778.7654 -109321.3664 298.6127 -40.2428 -10.0767 761670.6418 -5.6460 -5.7807 PRESSURE: 3471200 -34.1263 131.458 -95.7728 131.458 235.34 -59.1685 -95.7727 -59.1675 25.6766 GPRESSURE: 3471200 25.7458 33.915 18.722 218.153 247.873 -61.5722 -234.741 -162.055 23.3542 PRESSAVG: 3471200 30.2508 -7.96499 -3.73706 -7.96506 -44.1754 -19.5815 -3.73711 -19.5815 -1.12129 GPRESSAVG: 3471200 30.2591 -9.48416 -4.55849 -7.22601 -44.6911 -23.3229 -3.49318 -19.0666 -1.48298 TIMING: 3471200 CPU: 11023.3, 0.0030995/step Wall: 11023.3, 0.0030995/step, 1.31625 hours remaining, 234.277344 MB of memory in use. ENERGY: 3471200 4035.5097 20477.4050 14454.0842 234.5862 -203826.6141 2839.6890 0.0000 0.0000 52115.7075 -109669.6326 299.5097 -161785.3401 -109317.9045 298.5314 75.6301 98.9909 760644.1133 -5.0153 -5.3050 PRESSURE: 3471400 227.223 133.856 6.72132 133.855 -82.1955 120.43 6.72096 120.429 18.8565 GPRESSURE: 3471400 296.807 86.4141 33.3053 244.816 -56.74 99.1322 -64.6801 190.149 -9.65403 PRESSAVG: 3471400 54.0439 -6.71318 13.8575 -6.71315 -45.5088 -22.7338 13.8575 -22.7338 -16.097 GPRESSAVG: 3471400 54.4769 -6.13113 14.2089 -6.11313 -45.544 -21.4377 12.0789 -22.658 -17.2388 TIMING: 3471400 CPU: 11023.9, 0.00312735/step Wall: 11023.9, 0.00312735/step, 1.32791 hours remaining, 234.277344 MB of memory in use. ENERGY: 3471400 3985.7823 20565.0606 14437.3651 260.4264 -203673.7241 2711.8008 0.0000 0.0000 51679.9862 -110033.3028 297.0056 -161713.2890 -109678.7418 298.9102 54.6281 76.8042 760717.4163 -2.5206 -2.7686 PRESSURE: 3471600 -261.957 -51.137 -23.4658 -51.1366 81.6311 119.07 -23.4664 119.07 -209.495 GPRESSURE: 3471600 -81.888 -73.203 26.085 -33.3981 -37.0877 131.63 74.9136 -24.6528 -206.242 PRESSAVG: 3471600 14.9455 41.4803 -23.4196 41.4802 -12.1329 -9.40098 -23.4196 -9.40097 17.1471 GPRESSAVG: 3471600 15.342 43.4237 -23.4533 41.0594 -13.6184 -8.07771 -21.6432 -9.62841 18.1401 TIMING: 3471600 CPU: 11024.6, 0.00313376/step Wall: 11024.6, 0.00313376/step, 1.33045 hours remaining, 234.277344 MB of memory in use. ENERGY: 3471600 3964.0313 20352.2843 14533.2303 242.1415 -203549.3562 2525.4367 0.0000 0.0000 51958.3392 -109973.8929 298.6053 -161932.2322 -109609.2323 298.2303 -129.9403 -108.4058 759675.4806 6.6532 6.6212 PRESSURE: 3471800 -370.725 123.405 54.5767 123.404 -226.034 262.086 54.5762 262.085 -237.877 GPRESSURE: 3471800 -309.183 77.5714 55.4182 37.3489 -169.652 217.511 48.7731 294.186 -259.231 PRESSAVG: 3471800 47.4214 45.9323 14.178 45.9323 -70.525 -1.95336 14.178 -1.95336 -2.71131 GPRESSAVG: 3471800 46.5928 45.9701 13.7584 44.4007 -69.1316 -1.4503 15.0603 -1.17225 -2.86921 TIMING: 3471800 CPU: 11025.2, 0.00312351/step Wall: 11025.2, 0.00312351/step, 1.32593 hours remaining, 234.277344 MB of memory in use. ENERGY: 3471800 4055.5748 20381.2899 14528.5464 236.1295 -203880.6639 2767.6454 0.0000 0.0000 51783.6077 -110127.8702 297.6011 -161911.4779 -109767.0285 298.1201 -278.2116 -246.0217 760136.2884 -8.6050 -8.4693 PRESSURE: 3472000 -207.207 124.263 101.466 124.263 -86.0939 135.164 101.467 135.164 9.97114 GPRESSURE: 3472000 -164.441 175.58 90.7453 77.9663 -113.068 114.947 -58.4772 148.906 74.8365 PRESSAVG: 3472000 28.0177 96.8948 -44.8932 96.8948 22.3522 8.14451 -44.8933 8.14449 28.3192 GPRESSAVG: 3472000 27.7353 94.3092 -44.8588 97.5361 21.9569 6.77376 -45.6671 5.6613 28.6874 TIMING: 3472000 CPU: 11025.8, 0.00312331/step Wall: 11025.8, 0.00312331/step, 1.32567 hours remaining, 234.277344 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: 3472000 3986.0816 20366.7801 14559.4490 244.4783 -203645.9423 2483.3165 0.0000 0.0000 52140.0992 -109865.7375 299.6499 -162005.8367 -109494.6532 298.2332 -94.4434 -67.5575 761115.4714 26.2297 26.1265 PRESSURE: 3472200 -287.448 74.9193 148.73 74.9196 -247.418 -8.34552 148.729 -8.34606 -286.473 GPRESSURE: 3472200 -326.243 44.9483 95.6701 44.5765 -183.926 -58.717 198.003 -8.77886 -235.208 PRESSAVG: 3472200 -0.441621 76.9405 -5.19114 76.9404 -1.54293 37.1452 -5.19111 37.1452 -7.96735 GPRESSAVG: 3472200 -1.17468 78.1754 -4.97196 73.283 -0.67162 37.1611 -5.48904 37.1481 -8.55996 TIMING: 3472200 CPU: 11026.4, 0.00310869/step Wall: 11026.4, 0.00310869/step, 1.31929 hours remaining, 234.277344 MB of memory in use. ENERGY: 3472200 3942.6610 20479.7769 14529.4388 237.8707 -203371.0294 2573.0611 0.0000 0.0000 51831.2536 -109776.9673 297.8749 -161608.2209 -109418.6672 298.6123 -273.7797 -248.4590 760823.3036 -3.3173 -3.4688 LDB: ============= START OF LOAD BALANCING ============== 11038.8 LDB: ============== END OF LOAD BALANCING =============== 11038.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11038.8 LDB: ============= START OF LOAD BALANCING ============== 11039.2 LDB: Largest compute 7052 load 0.030239 is 15.5% of average load 0.195637 LDB: Average compute 0.004373 is 2.2% of average load 0.195637 LDB: TIME 11039.2 LOAD: AVG 0.195637 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 11039.2 LOAD: AVG 0.195637 MAX 0.21434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: TIME 11039.2 LOAD: AVG 0.195637 MAX 0.21434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: ============== END OF LOAD BALANCING =============== 11039.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11039.2 PRESSURE: 3472400 -218.38 199.185 97.5778 199.184 -498.111 233.14 97.579 233.141 -426.778 GPRESSURE: 3472400 -70.1786 135.098 77.5434 224.154 -447.152 265.466 152.075 213.255 -537.838 PRESSAVG: 3472400 -32.827 59.8244 -13.006 59.8244 -6.12621 39.7697 -13.006 39.7697 5.76696 GPRESSAVG: 3472400 -31.6102 59.9925 -11.7377 62.9008 -6.97117 39.9306 -12.6674 41.5264 5.38073 TIMING: 3472400 CPU: 11027.1, 0.00318919/step Wall: 11027.1, 0.00318919/step, 1.35328 hours remaining, 233.304688 MB of memory in use. ENERGY: 3472400 4008.3679 20491.6704 14519.9535 242.0344 -202999.2495 2235.3824 0.0000 0.0000 51879.8560 -109621.9850 298.1542 -161501.8409 -109256.1980 298.3692 -381.0896 -351.7228 761552.4036 -11.0621 -11.0669 PRESSURE: 3472600 106.326 31.2638 2.44136 31.2636 63.3279 -43.5926 2.44113 -43.5917 84.4282 GPRESSURE: 3472600 10.7124 117.345 -204.955 -28.1019 239.784 -70.1728 60.4147 14.5216 92.9715 PRESSAVG: 3472600 -59.4217 19.5725 30.4997 19.5724 34.7844 -1.16496 30.4997 -1.16503 3.82126 GPRESSAVG: 3472600 -58.2912 19.9829 28.3068 19.4787 34.0719 -0.143044 31.837 -0.355898 3.57737 TIMING: 3472600 CPU: 11027.7, 0.00311634/step Wall: 11027.7, 0.00311634/step, 1.32219 hours remaining, 233.304688 MB of memory in use. ENERGY: 3472600 3997.0552 20547.5533 14473.1687 244.2912 -203719.9823 2669.8515 0.0000 0.0000 52031.3991 -109756.6634 299.0252 -161788.0625 -109393.8058 298.8565 84.6939 114.4893 759727.6828 -6.9387 -6.8806 PRESSURE: 3472800 242.914 230.981 256.115 230.981 -325.122 -29.723 256.114 -29.7229 -211.008 GPRESSURE: 3472800 302.69 252.134 215.572 150.673 -330.342 -44.0499 378.214 -211.608 -178.927 PRESSAVG: 3472800 -24.5424 80.4218 46.7078 80.4218 38.4246 39.6941 46.7079 39.6941 46.3522 GPRESSAVG: 3472800 -26.8097 81.9129 49.8593 81.4044 40.1034 39.4513 42.4014 38.7761 47.7598 TIMING: 3472800 CPU: 11028.3, 0.00314019/step Wall: 11028.3, 0.00314019/step, 1.33214 hours remaining, 233.304688 MB of memory in use. ENERGY: 3472800 4031.7388 20467.4646 14555.3107 241.9445 -203402.5776 2445.7311 0.0000 0.0000 52037.4866 -109622.9013 299.0602 -161660.3879 -109256.4076 298.8838 -97.7387 -68.8596 759198.7248 20.0781 20.3512 PRESSURE: 3473000 -261.16 108.275 124.645 108.274 -257.194 -57.2064 124.647 -57.2065 159.341 GPRESSURE: 3473000 -194.175 -27.338 116.975 147.992 -199.554 46.9765 172.988 -165.743 119.247 PRESSAVG: 3473000 -4.60553 46.4631 38.5934 46.4631 24.739 -18.6392 38.5935 -18.6392 -3.54484 GPRESSAVG: 3473000 -3.98385 44.2789 36.913 46.979 25.2498 -21.1592 41.1771 -18.0678 -5.07701 TIMING: 3473000 CPU: 11028.9, 0.00311035/step Wall: 11028.9, 0.00311035/step, 1.31931 hours remaining, 233.304688 MB of memory in use. ENERGY: 3473000 3993.1148 20534.2023 14567.1603 273.7684 -203633.1051 2384.8082 0.0000 0.0000 52217.4670 -109662.5843 300.0945 -161880.0512 -109303.3407 299.0676 -119.6711 -91.4943 760473.9451 5.5295 5.3963 PRESSURE: 3473200 339.556 55.3632 58.7148 55.363 130.438 -16.7334 58.7155 -16.7337 392.514 GPRESSURE: 3473200 377.941 71.0688 11.6407 13.2902 131.369 6.35166 94.0779 -93.1176 409.724 PRESSAVG: 3473200 -55.4596 -37.8946 117.968 -37.8946 8.17048 -0.943032 117.968 -0.942942 7.01572 GPRESSAVG: 3473200 -54.6324 -37.391 117.092 -39.3411 5.89435 2.27634 118.787 -2.98155 8.70498 TIMING: 3473200 CPU: 11029.6, 0.00311886/step Wall: 11029.6, 0.00311886/step, 1.32274 hours remaining, 233.304688 MB of memory in use. ENERGY: 3473200 4062.6108 20547.6908 14494.4408 259.9454 -203781.7334 2601.9710 0.0000 0.0000 51911.8770 -109903.1978 298.3383 -161815.0748 -109552.1099 299.2891 287.5025 306.3445 760276.8163 -13.4245 -13.3444 PRESSURE: 3473400 -250.294 244.261 -22.7497 244.26 144.094 180.518 -22.7491 180.519 154.708 GPRESSURE: 3473400 -140.651 181.685 58.8436 138.28 195.294 245.897 39.7354 85.1652 91.2834 PRESSAVG: 3473400 10.6344 23.5403 58.0039 23.5403 7.19588 12.9108 58.0039 12.9108 1.05123 GPRESSAVG: 3473400 10.8503 22.8826 58.3793 24.2757 7.99928 12.2881 57.0149 13.3423 0.269049 TIMING: 3473400 CPU: 11030.2, 0.0031205/step Wall: 11030.2, 0.0031205/step, 1.32326 hours remaining, 233.304688 MB of memory in use. ENERGY: 3473400 3919.9459 20729.9884 14501.8855 256.9192 -203702.6543 2551.5443 0.0000 0.0000 51831.6509 -109910.7201 297.8772 -161742.3710 -109568.1894 298.2756 16.1693 48.6419 760852.7644 6.2939 6.3729 PRESSURE: 3473600 23.6821 219.671 102.742 219.67 79.1987 118.199 102.742 118.2 342.995 GPRESSURE: 3473600 66.5867 91.1456 147.926 44.8977 180.429 167.225 17.721 114.277 294.531 PRESSAVG: 3473600 21.874 57.4017 53.0315 57.4017 -15.537 -8.30421 53.0315 -8.30422 1.9079 GPRESSAVG: 3473600 20.9726 57.9 53.3397 56.412 -14.3331 -8.88884 53.1735 -6.66113 2.24267 TIMING: 3473600 CPU: 11030.8, 0.00315432/step Wall: 11030.8, 0.00315432/step, 1.33743 hours remaining, 233.304688 MB of memory in use. ENERGY: 3473600 3966.9635 20441.5036 14480.3622 281.1661 -203813.0418 2667.4369 0.0000 0.0000 51965.6513 -110009.9582 298.6473 -161975.6095 -109650.5241 299.2436 148.6254 180.5156 759082.6549 2.7483 2.9607 PRESSURE: 3473800 -510.624 16.5802 -219.195 16.5799 77.5572 16.1049 -219.195 16.1047 -275.332 GPRESSURE: 3473800 -460.756 59.8987 -152.614 25.3558 68.0814 -17.1727 -224.103 -53.1879 -227.869 PRESSAVG: 3473800 11.8573 35.53 6.28397 35.53 -2.09693 14.2475 6.28402 14.2475 -21.1652 GPRESSAVG: 3473800 13.3074 34.7668 5.84907 35.3503 -3.78644 13.1917 6.47656 15.1926 -21.5792 TIMING: 3473800 CPU: 11031.4, 0.00314165/step Wall: 11031.4, 0.00314165/step, 1.33188 hours remaining, 233.304688 MB of memory in use. ENERGY: 3473800 4068.1433 20549.0685 14480.8744 256.9997 -204086.6987 3048.5055 0.0000 0.0000 51736.7751 -109946.3323 297.3320 -161683.1074 -109581.6003 298.4361 -236.1331 -206.8476 759660.2293 -3.8016 -4.0194 PRESSURE: 3474000 -102.178 -107.201 179.396 -107.2 -141.042 -25.8213 179.396 -25.8216 101.239 GPRESSURE: 3474000 -49.1157 -146.14 257.112 -115.455 -157.67 -147.501 -3.85076 -43.1024 143.39 PRESSAVG: 3474000 -18.9165 -4.30388 62.1826 -4.30394 6.05769 49.9447 62.1827 49.9448 2.40356 GPRESSAVG: 3474000 -20.2217 -4.43057 62.2674 -3.72715 6.5879 49.7169 60.0265 49.9082 3.38693 TIMING: 3474000 CPU: 11032.1, 0.00314358/step Wall: 11032.1, 0.00314358/step, 1.33253 hours remaining, 233.304688 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: 3474000 4029.1420 20458.1169 14512.4902 261.0348 -203990.2914 2694.7914 0.0000 0.0000 52143.7675 -109890.9486 299.6709 -162034.7161 -109525.1659 298.9841 -47.3271 -21.1319 759781.4024 -3.4851 -3.4156 PRESSURE: 3474200 -5.91752 154.52 -124.004 154.519 -33.5135 119.916 -124.005 119.915 -127.35 GPRESSURE: 3474200 19.1424 150.568 -87.0078 120.73 -10.0374 64.8256 -103.224 182.028 -67.804 PRESSAVG: 3474200 -1.17874 21.2258 6.84669 21.2258 32.0968 42.4131 6.84671 42.4131 0.936802 GPRESSAVG: 3474200 -1.58226 23.8247 6.94601 19.5436 32.0578 42.5915 7.86183 40.9493 0.840305 TIMING: 3474200 CPU: 11032.7, 0.00312961/step Wall: 11032.7, 0.00312961/step, 1.32643 hours remaining, 233.304688 MB of memory in use. ENERGY: 3474200 4000.6377 20370.1628 14452.3605 256.7542 -203659.1786 2646.8236 0.0000 0.0000 52194.7902 -109737.6496 299.9642 -161932.4398 -109371.9800 298.6276 -55.5935 -19.5663 760101.7391 10.6183 10.4386 PRESSURE: 3474400 8.43003 32.7004 264.678 32.7004 -5.14776 67.2961 264.679 67.2971 15.8793 GPRESSURE: 3474400 106.537 2.44961 171.643 40.7048 -23.5704 154.448 298.615 139.825 31.6319 PRESSAVG: 3474400 26.6729 26.1225 4.69061 26.1225 -7.6726 9.17137 4.69059 9.17126 9.47136 GPRESSAVG: 3474400 28.2973 22.3897 3.68153 27.3328 -9.3058 8.62457 7.6499 10.4997 9.28297 TIMING: 3474400 CPU: 11033.3, 0.00315965/step Wall: 11033.3, 0.00315965/step, 1.33899 hours remaining, 233.304688 MB of memory in use. ENERGY: 3474400 3954.9500 20574.5691 14478.5878 237.1851 -203415.4359 2616.6564 0.0000 0.0000 51920.2942 -109633.1933 298.3866 -161553.4875 -109265.8634 298.9563 6.3872 38.1994 761212.9256 9.4905 9.4248 PRESSURE: 3474600 -263.772 -165.241 -201.714 -165.241 -207.491 -42.5029 -201.714 -42.5026 -77.8681 GPRESSURE: 3474600 -226.918 -66.2659 -160.962 -7.50326 -218.257 53.2527 -70.3941 19.1863 -10.9828 PRESSAVG: 3474600 -5.20587 26.8147 17.9419 26.8148 -8.02326 -27.2622 17.9419 -27.2623 -12.2975 GPRESSAVG: 3474600 -6.65108 27.501 17.9123 28.9361 -6.68517 -25.7596 17.5928 -27.4784 -11.8948 TIMING: 3474600 CPU: 11034, 0.00315269/step Wall: 11034, 0.00315269/step, 1.33586 hours remaining, 233.304688 MB of memory in use. ENERGY: 3474600 4034.9815 20633.3450 14485.1969 243.9383 -203493.9936 2546.0789 0.0000 0.0000 51956.8232 -109593.6297 298.5966 -161550.4529 -109222.6258 299.3116 -183.0438 -152.0525 759850.4115 -8.5089 -8.4104 PRESSURE: 3474800 -283.951 85.6587 69.8633 85.6588 -105.313 -144.42 69.863 -144.42 26.7336 GPRESSURE: 3474800 -264.658 -12.1984 -30.6032 1.17271 -79.8756 -148.662 -13.4902 -172.349 58.6021 PRESSAVG: 3474800 8.61099 4.10809 29.8323 4.1081 45.8468 18.7761 29.8323 18.776 13.763 GPRESSAVG: 3474800 8.78077 1.9914 30.2237 2.99971 45.7102 20.4421 27.4907 16.6183 13.9888 TIMING: 3474800 CPU: 11034.6, 0.00315666/step Wall: 11034.6, 0.00315666/step, 1.33737 hours remaining, 233.304688 MB of memory in use. ENERGY: 3474800 4073.2592 20583.7016 14506.2158 233.6731 -203571.5782 2696.8880 0.0000 0.0000 51959.4952 -109518.3452 298.6119 -161477.8404 -109161.3873 299.0507 -120.8434 -95.3104 762155.1192 22.7403 22.8266 PRESSURE: 3475000 -99.1008 98.8265 -79.204 98.8258 41.1932 178.51 -79.2036 178.511 -84.1484 GPRESSURE: 3475000 -8.6274 96.0998 -95.1037 4.38416 -10.5889 154.517 29.1143 142.263 -45.7276 PRESSAVG: 3475000 9.73568 20.9434 22.5909 20.9434 5.44798 20.6366 22.5908 20.6366 -8.08863 GPRESSAVG: 3475000 9.43051 23.557 21.7448 20.3353 5.9313 18.2617 20.7517 22.1943 -8.52857 TIMING: 3475000 CPU: 11035.2, 0.00312838/step Wall: 11035.2, 0.00312838/step, 1.32522 hours remaining, 233.304688 MB of memory in use. ENERGY: 3475000 4019.3643 20467.8667 14539.4524 258.9928 -203452.3000 2697.5893 0.0000 0.0000 51886.5998 -109582.4347 298.1930 -161469.0345 -109231.6715 299.1724 -47.3520 -21.6480 761401.6291 2.3650 2.2777 PRESSURE: 3475200 -51.2451 103.847 84.3558 103.847 -43.8099 9.03154 84.3555 9.03067 -322.581 GPRESSURE: 3475200 1.94289 122.62 11.7296 -2.84312 0.197461 -83.6182 75.6465 47.2325 -312.158 PRESSAVG: 3475200 -35.5506 -9.67046 33.4895 -9.67047 35.2781 -36.0249 33.4895 -36.0249 20.8652 GPRESSAVG: 3475200 -34.4267 -11.8002 35.1703 -10.6954 35.9242 -36.132 34.3695 -35.9327 19.4633 TIMING: 3475200 CPU: 11035.8, 0.00313037/step Wall: 11035.8, 0.00313037/step, 1.32588 hours remaining, 233.304688 MB of memory in use. ENERGY: 3475200 3957.4685 20683.1039 14522.3465 221.4342 -203295.2520 2397.5073 0.0000 0.0000 52000.4205 -109512.9710 298.8471 -161513.3915 -109150.4319 298.8712 -139.2121 -103.3393 760331.5445 6.8642 6.9869 PRESSURE: 3475400 194.179 -21.3193 36.9655 -21.3194 -69.1566 -86.5946 36.9658 -86.5939 -263.665 GPRESSURE: 3475400 296.28 -8.87499 46.3078 71.7377 -99.2768 -3.20504 -128.569 -144.531 -247.609 PRESSAVG: 3475400 45.4451 1.8464 -12.6287 1.84637 1.00608 -29.0967 -12.6288 -29.0967 7.95315 GPRESSAVG: 3475400 45.4774 3.82115 -14.0857 2.75299 0.74098 -29.743 -13.1611 -29.284 8.0014 TIMING: 3475400 CPU: 11036.5, 0.00312724/step Wall: 11036.5, 0.00312724/step, 1.32439 hours remaining, 233.304688 MB of memory in use. ENERGY: 3475400 3999.7346 20476.4357 14490.9033 244.5007 -203326.3279 2376.5303 0.0000 0.0000 52283.6630 -109454.5603 300.4749 -161738.2233 -109081.4885 299.2587 -46.2142 -16.8686 760276.9171 18.1348 18.0732 PRESSURE: 3475600 -199.177 -64.0273 183.546 -64.0275 -90.5646 -186.176 183.546 -186.178 -263.495 GPRESSURE: 3475600 -96.2695 -103.535 207.345 -63.2231 -16.8685 -131.024 160.043 -32.1803 -345.165 PRESSAVG: 3475600 37.104 -46.0341 -1.91263 -46.0341 -30.956 -43.8036 -1.91262 -43.8036 -11.9664 GPRESSAVG: 3475600 36.6133 -46.7772 -0.830583 -46.4727 -30.9055 -43.881 -1.65134 -43.9752 -11.937 TIMING: 3475600 CPU: 11037.1, 0.0031138/step Wall: 11037.1, 0.0031138/step, 1.31852 hours remaining, 233.304688 MB of memory in use. ENERGY: 3475600 4052.1450 20586.5338 14515.4104 245.5158 -203016.7074 2313.9844 0.0000 0.0000 52009.8575 -109293.2605 298.9014 -161303.1180 -108927.3104 299.2790 -184.4121 -152.7676 760689.1689 -1.9395 -2.0764 PRESSURE: 3475800 35.3632 -27.5072 -60.4924 -27.5074 -40.8674 -22.5721 -60.4924 -22.5725 -408.52 GPRESSURE: 3475800 103.178 -93.7812 -52.5693 -109.679 -84.4189 -55.1064 -67.3217 17.1514 -335.684 PRESSAVG: 3475800 13.951 -42.7135 -30.5477 -42.7136 29.4319 -92.7895 -30.5477 -92.7895 35.4199 GPRESSAVG: 3475800 13.7298 -44.5196 -29.7854 -42.6734 28.0822 -93.8134 -29.776 -92.1299 36.6983 TIMING: 3475800 CPU: 11037.7, 0.00309619/step Wall: 11037.7, 0.00309619/step, 1.31089 hours remaining, 233.304688 MB of memory in use. ENERGY: 3475800 4056.9733 20511.7044 14549.8594 245.4898 -203307.6563 2706.7385 0.0000 0.0000 51951.5314 -109285.3595 298.5662 -161236.8909 -108934.5961 299.6946 -138.0081 -105.6417 763468.4379 26.2676 26.1701 PRESSURE: 3476000 215.526 221.211 -44.1584 221.21 -124.671 -100.002 -44.1579 -100.001 -458.608 GPRESSURE: 3476000 230.175 165.53 -32.7591 268.973 -22.677 -38.0877 -46.6897 -90.4608 -477.523 PRESSAVG: 3476000 16.3544 12.0463 -37.8467 12.0462 -52.3726 -47.8926 -37.8467 -47.8926 13.2596 GPRESSAVG: 3476000 16.3696 13.6847 -39.3065 12.3152 -51.7209 -44.1798 -37.1835 -48.78 11.835 TIMING: 3476000 CPU: 11038.3, 0.00309968/step Wall: 11038.3, 0.00309968/step, 1.3122 hours remaining, 233.304688 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: 3476000 4003.7539 20781.1027 14481.2048 233.7896 -203277.5597 2547.5647 0.0000 0.0000 51694.4836 -109535.6604 297.0889 -161230.1440 -109193.3728 299.0055 -122.5843 -90.0082 761247.3291 -7.5862 -7.8387 PRESSURE: 3476200 531.699 -243.45 15.5684 -243.45 2.24031 -103.341 15.5681 -103.341 394.105 GPRESSURE: 3476200 518.375 -239.767 -0.820969 -187.857 108.987 -131.066 -35.0573 -148.559 364.636 PRESSAVG: 3476200 -9.34018 -4.60234 -50.328 -4.60231 47.6763 -22.0561 -50.3279 -22.0561 12.3811 GPRESSAVG: 3476200 -9.96768 -4.48116 -50.4943 -4.54064 48.7366 -23.8618 -51.5472 -23.1442 12.2531 TIMING: 3476200 CPU: 11039, 0.00310805/step Wall: 11039, 0.00310805/step, 1.31557 hours remaining, 233.304688 MB of memory in use. ENERGY: 3476200 3888.9158 20681.7430 14542.9065 243.0811 -203647.2554 2665.7356 0.0000 0.0000 51911.3114 -109713.5619 298.3350 -161624.8733 -109359.1357 298.6109 309.3480 330.6659 760874.4583 16.9057 17.0074 LDB: ============= START OF LOAD BALANCING ============== 11051.4 LDB: ============== END OF LOAD BALANCING =============== 11051.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11051.4 LDB: ============= START OF LOAD BALANCING ============== 11051.7 LDB: Largest compute 7036 load 0.030111 is 15.4% of average load 0.195584 LDB: Average compute 0.004382 is 2.2% of average load 0.195584 LDB: TIME 11051.7 LOAD: AVG 0.195584 MAX 0.214324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.234 MB LDB: TIME 11051.7 LOAD: AVG 0.195584 MAX 0.214324 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 11051.7 LOAD: AVG 0.195584 MAX 0.214324 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 11051.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11051.7 PRESSURE: 3476400 197.709 -164.666 22.3222 -164.665 120.5 67.2206 22.3226 67.2213 380.22 GPRESSURE: 3476400 165.197 -95.8058 -0.322599 -139.734 209.688 71.0965 12.0914 -61.7774 393.079 PRESSAVG: 3476400 99.5271 -8.42416 11.042 -8.42418 -50.288 -1.85732 11.0421 -1.85731 29.3861 GPRESSAVG: 3476400 98.1283 -7.82883 10.3897 -8.72462 -49.4304 -0.634761 10.3476 -1.9762 30.1354 TIMING: 3476400 CPU: 11039.6, 0.00318954/step Wall: 11039.6, 0.00318954/step, 1.34988 hours remaining, 234.398438 MB of memory in use. ENERGY: 3476400 3959.0629 20792.2888 14503.6775 235.6094 -203716.1743 2521.9209 0.0000 0.0000 52285.7412 -109417.8736 300.4869 -161703.6148 -109061.8814 298.8123 232.8094 255.9881 759512.6195 26.2084 26.2778 PRESSURE: 3476600 128.161 -158.508 -99.6269 -158.509 -58.0439 -42.1935 -99.6268 -42.1941 140.946 GPRESSURE: 3476600 162.012 -80.0147 -129.017 -109.91 -75.0824 -44.546 -26.9389 143.497 204.842 PRESSAVG: 3476600 27.0543 -67.4602 -21.9147 -67.4602 14.8018 -16.5481 -21.9147 -16.5479 -18.0633 GPRESSAVG: 3476600 27.4709 -67.5408 -22.6884 -66.8357 13.777 -17.3436 -18.2935 -13.6831 -17.4617 TIMING: 3476600 CPU: 11040.2, 0.00314397/step Wall: 11040.2, 0.00314397/step, 1.33042 hours remaining, 234.398438 MB of memory in use. ENERGY: 3476600 3966.7209 20564.6166 14505.8492 248.0576 -203737.7793 2783.3575 0.0000 0.0000 52235.2852 -109433.8925 300.1969 -161669.1777 -109069.8186 299.2479 70.3543 97.2570 761560.7030 7.9310 7.9287 PRESSURE: 3476800 -631.468 -33.1323 -111.225 -33.1321 -169.069 23.7699 -111.225 23.7712 -207.245 GPRESSURE: 3476800 -523.968 -3.28382 -153.421 -39.8541 -192.423 49.8489 -138.063 -13.6639 -201.484 PRESSAVG: 3476800 -19.1553 11.6058 36.3424 11.6059 3.63892 -2.19668 36.3425 -2.19669 -7.19925 GPRESSAVG: 3476800 -18.9658 11.3698 35.6877 11.49 3.30872 -1.09261 34.6159 -4.51928 -6.84435 TIMING: 3476800 CPU: 11040.9, 0.0031378/step Wall: 11040.9, 0.0031378/step, 1.32764 hours remaining, 234.398438 MB of memory in use. ENERGY: 3476800 3916.9220 20417.8582 14455.8570 264.1214 -202705.9437 2034.9099 0.0000 0.0000 52163.8260 -109452.4491 299.7862 -161616.2751 -109078.9310 299.2215 -335.9272 -305.9582 764030.6045 -7.5719 -7.5005 PRESSURE: 3477000 229.419 129.537 145.382 129.537 253.507 -74.4487 145.382 -74.4482 -53.4557 GPRESSURE: 3477000 238.18 39.3897 183.649 124.02 323.198 -99.5614 159.224 -103.14 -27.8257 PRESSAVG: 3477000 25.2705 -22.8154 24.9602 -22.8156 -23.7968 -35.7187 24.9602 -35.7188 14.9467 GPRESSAVG: 3477000 27.0417 -23.0872 28.0696 -24.2927 -24.3512 -36.1855 24.6479 -36.2725 13.8696 TIMING: 3477000 CPU: 11041.5, 0.00310976/step Wall: 11041.5, 0.00310976/step, 1.3156 hours remaining, 234.398438 MB of memory in use. ENERGY: 3477000 3943.3046 20584.2310 14529.2589 266.0694 -203526.7570 2841.6064 0.0000 0.0000 51986.5490 -109375.7377 298.7674 -161362.2867 -109005.8987 299.1285 143.1570 177.8509 762032.8108 5.4735 5.5200 PRESSURE: 3477200 -23.0951 -65.9703 -60.9321 -65.9708 -21.2425 -69.4706 -60.9321 -69.4717 -37.7261 GPRESSURE: 3477200 -20.391 -60.7743 -45.3317 0.956803 89.9459 -118.317 -128.62 -23.0784 -69.7889 PRESSAVG: 3477200 -2.77132 19.2665 23.6472 19.2665 -3.54194 -19.253 23.6473 -19.253 -0.88762 GPRESSAVG: 3477200 -2.99767 17.5229 23.0833 23.2817 -4.30521 -19.5152 21.5856 -19.5628 0.068843 TIMING: 3477200 CPU: 11042.1, 0.00310896/step Wall: 11042.1, 0.00310896/step, 1.31509 hours remaining, 234.398438 MB of memory in use. ENERGY: 3477200 3986.0311 20469.6878 14530.9964 249.3052 -202930.7457 2341.9516 0.0000 0.0000 51978.4752 -109374.2984 298.7210 -161352.7736 -109005.1072 299.1318 -27.3546 -0.0780 761605.3019 -2.4003 -2.4113 PRESSURE: 3477400 -228.695 -87.8535 141.228 -87.8528 128.663 -100.174 141.227 -100.174 25.1837 GPRESSURE: 3477400 -176.551 -25.2712 193.373 -4.68763 151.809 -29.0604 94.3571 -172.581 28.0647 PRESSAVG: 3477400 -41.7101 -16.5391 26.8859 -16.539 0.134033 16.3912 26.8859 16.3913 -5.73559 GPRESSAVG: 3477400 -43.4055 -14.1213 27.7167 -18.255 1.45163 17.0863 30.0009 17.8172 -5.42416 TIMING: 3477400 CPU: 11042.7, 0.00312584/step Wall: 11042.7, 0.00312584/step, 1.32206 hours remaining, 234.398438 MB of memory in use. ENERGY: 3477400 4030.8472 20683.1199 14465.2542 241.3286 -203364.8154 2504.6849 0.0000 0.0000 51981.4548 -109458.1259 298.7381 -161439.5807 -109100.8447 299.2841 -24.9493 1.1076 762105.4382 -15.7706 -15.7927 PRESSURE: 3477600 -162.774 -39.6178 16.3585 -39.6182 -473.22 9.37743 16.3593 9.37789 170.171 GPRESSURE: 3477600 -95.8258 -7.31575 77.7403 10.0111 -422.477 16.2006 -23.918 96.9584 133.998 PRESSAVG: 3477600 43.2923 5.22219 7.62891 5.22215 -53.1398 -41.5485 7.62891 -41.5485 8.19889 GPRESSAVG: 3477600 46.1508 3.59306 6.63817 5.57757 -54.7929 -42.6415 7.00256 -44.1446 6.86978 TIMING: 3477600 CPU: 11043.3, 0.00311387/step Wall: 11043.3, 0.00311387/step, 1.31682 hours remaining, 234.398438 MB of memory in use. ENERGY: 3477600 4054.8434 20398.4291 14445.8069 252.7195 -203108.8136 2542.0014 0.0000 0.0000 51833.4484 -109581.5648 297.8875 -161415.0132 -109207.0934 299.0653 -155.2743 -128.1016 762053.6158 -0.5495 -0.5908 PRESSURE: 3477800 -137.848 -3.21128 54.2042 -3.2115 -103.26 -170.39 54.2034 -170.39 129.353 GPRESSURE: 3477800 -152.819 64.8707 78.2743 43.4477 -31.1819 -180.865 124.826 46.9523 157.639 PRESSAVG: 3477800 27.5204 51.7111 56.7353 51.7111 -66.9417 2.88884 56.7353 2.88886 5.0969 GPRESSAVG: 3477800 26.1166 51.4029 57.8083 51.5956 -66.4336 3.44938 57.2051 6.06984 6.31575 TIMING: 3477800 CPU: 11044, 0.00310092/step Wall: 11044, 0.00310092/step, 1.31117 hours remaining, 234.398438 MB of memory in use. ENERGY: 3477800 4009.8553 20455.6736 14531.5538 250.5181 -203110.8907 2389.7006 0.0000 0.0000 51849.6368 -109623.9524 297.9806 -161473.5892 -109261.5963 298.6219 -37.2517 -8.7874 761476.2604 -11.4414 -11.3338 PRESSURE: 3478000 -34.5291 -69.1181 -51.0813 -69.1182 -179.318 -50.8849 -51.0806 -50.8859 -176.045 GPRESSURE: 3478000 -62.3459 48.1984 -58.0489 15.5639 -85.5154 -27.6698 -8.68078 -16.6003 -169.772 PRESSAVG: 3478000 48.2834 31.0787 8.07522 31.0788 -17.8621 23.6204 8.07517 23.6205 1.64145 GPRESSAVG: 3478000 47.9457 32.8455 7.87707 32.5431 -17.5379 24.1474 7.17708 24.086 1.72968 TIMING: 3478000 CPU: 11044.6, 0.00311325/step Wall: 11044.6, 0.00311325/step, 1.31621 hours remaining, 234.398438 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: 3478000 3956.6411 20373.5361 14464.2622 256.4638 -202996.9496 2213.6586 0.0000 0.0000 52109.7139 -109622.6739 299.4752 -161732.3878 -109261.1413 299.1539 -129.9641 -105.8779 761492.7038 10.6876 10.7125 PRESSURE: 3478200 137.305 -5.47195 -106.903 -5.47267 400.188 148.209 -106.903 148.209 423.264 GPRESSURE: 3478200 225.693 -45.0899 52.2308 -125.463 441.008 188.112 -36.1344 176.666 400.629 PRESSAVG: 3478200 5.47858 -29.7851 -16.7132 -29.7851 -11.7215 40.3789 -16.7131 40.3788 -9.05494 GPRESSAVG: 3478200 4.26415 -30.9021 -16.8562 -31.0762 -9.79497 40.6755 -18.164 36.5321 -9.28991 TIMING: 3478200 CPU: 11045.2, 0.00312096/step Wall: 11045.2, 0.00312096/step, 1.3193 hours remaining, 234.398438 MB of memory in use. ENERGY: 3478200 4061.7268 20363.7632 14523.2817 253.9576 -203644.7484 2993.5017 0.0000 0.0000 51862.4760 -109586.0414 298.0544 -161448.5173 -109226.4705 298.8060 320.2520 355.7769 760247.1128 -5.0993 -4.9402 PRESSURE: 3478400 -262.841 22.6355 -116.333 22.6356 120.504 18.9554 -116.333 18.9545 -374.56 GPRESSURE: 3478400 -101.848 -92.6709 -172.001 -6.87023 -0.788446 11.9716 -68.9785 -29.8324 -340.693 PRESSAVG: 3478400 60.0431 -26.9002 -48.8523 -26.9003 -59.9402 8.19003 -48.8522 8.18994 -26.0662 GPRESSAVG: 3478400 61.9142 -28.4046 -49.2981 -26.081 -62.4914 6.63066 -46.8487 11.7215 -25.5925 TIMING: 3478400 CPU: 11045.8, 0.00313287/step Wall: 11045.8, 0.00313287/step, 1.32416 hours remaining, 234.398438 MB of memory in use. ENERGY: 3478400 3975.5476 20661.6468 14435.1779 253.5209 -203080.4825 2205.4537 0.0000 0.0000 52163.5769 -109385.5586 299.7848 -161549.1355 -109027.0800 298.9656 -172.2991 -147.7768 762935.0555 -8.6544 -8.7232 PRESSURE: 3478600 198.971 -188.114 44.1793 -188.114 -357.58 -47.0912 44.1796 -47.0902 -235.446 GPRESSURE: 3478600 202.291 -167.548 57.8096 -103.239 -281.024 -14.9779 -2.93005 -90.9852 -209.672 PRESSAVG: 3478600 22.7675 -4.7926 -6.77893 -4.79264 -18.0597 44.8415 -6.77904 44.8415 -9.19879 GPRESSAVG: 3478600 22.1456 -3.82437 -7.07654 -6.03047 -16.8919 46.494 -4.40232 43.7363 -10.348 TIMING: 3478600 CPU: 11046.5, 0.00312771/step Wall: 11046.5, 0.00312771/step, 1.32181 hours remaining, 234.398438 MB of memory in use. ENERGY: 3478600 4033.9013 20480.5995 14569.8344 259.2615 -202809.8308 2219.2763 0.0000 0.0000 52039.7092 -109207.2487 299.0729 -161246.9579 -108839.7224 299.5970 -131.3515 -96.1352 761970.8385 -1.4970 -1.6981 PRESSURE: 3478800 -292.063 1.45566 104.983 1.45628 -147.349 -191.18 104.981 -191.179 -128.213 GPRESSURE: 3478800 -190.002 -119.299 82.9376 -56.5259 -127.317 -55.1527 -69.921 -248.305 -166.815 PRESSAVG: 3478800 44.5746 -6.09088 -19.7526 -6.09089 -55.2935 -3.18711 -19.7526 -3.18704 12.0184 GPRESSAVG: 3478800 44.6426 -7.99993 -20.7445 -4.86801 -56.2202 -3.57405 -21.6855 -2.83158 12.8712 TIMING: 3478800 CPU: 11047.1, 0.00311409/step Wall: 11047.1, 0.00311409/step, 1.31588 hours remaining, 234.398438 MB of memory in use. ENERGY: 3478800 3975.1079 20499.8505 14505.5259 251.8547 -203174.4393 2470.0228 0.0000 0.0000 52387.0626 -109085.0150 301.0692 -161472.0776 -108711.9505 300.0906 -189.2082 -161.3782 762637.5946 0.4332 0.4312 PRESSURE: 3479000 11.2051 -39.8335 31.3349 -39.8349 273.695 -19.229 31.3352 -19.2289 -238.06 GPRESSURE: 3479000 -11.9677 -27.9295 52.8092 -83.5777 356.256 -113.531 6.2586 -56.9693 -232.195 PRESSAVG: 3479000 48.7547 1.69871 43.4257 1.69866 -73.2162 -8.94417 43.4257 -8.94415 4.19172 GPRESSAVG: 3479000 48.0774 4.34041 45.4581 2.49211 -71.6317 -8.99793 43.1077 -10.3442 3.23584 TIMING: 3479000 CPU: 11047.7, 0.0031228/step Wall: 11047.7, 0.0031228/step, 1.31938 hours remaining, 234.398438 MB of memory in use. ENERGY: 3479000 3986.3345 20319.5334 14490.8504 269.4485 -203164.7052 2558.1594 0.0000 0.0000 52245.6432 -109294.7359 300.2564 -161540.3791 -108930.8456 300.0236 15.6133 37.3644 761397.5818 -6.7566 -6.7728 PRESSURE: 3479200 -348.188 -43.6392 273.214 -43.639 -386.358 75.7345 273.214 75.7346 -197.643 GPRESSURE: 3479200 -341.24 25.1546 216.796 4.91428 -275.492 96.6951 340.758 52.6283 -199.743 PRESSAVG: 3479200 -7.39803 -58.3939 11.8626 -58.3938 10.5971 -14.4465 11.8627 -14.4465 -2.49364 GPRESSAVG: 3479200 -6.25745 -58.8707 10.0405 -59.7898 9.99336 -14.153 10.1672 -14.8885 -2.84465 TIMING: 3479200 CPU: 11048.3, 0.00312876/step Wall: 11048.3, 0.00312876/step, 1.32173 hours remaining, 234.398438 MB of memory in use. ENERGY: 3479200 4010.6597 20406.2927 14507.5937 240.4938 -202952.5318 2480.7237 0.0000 0.0000 52162.0844 -109144.6838 299.7762 -161306.7682 -108775.7479 299.1340 -310.7298 -272.1580 764444.8504 0.2351 0.2971 PRESSURE: 3479400 -48.2226 234.257 -223.303 234.257 -301.264 47.1214 -223.303 47.1218 103.973 GPRESSURE: 3479400 121.225 253.477 -272.342 74.1829 -344.072 22.3187 -168.828 16.1652 60.0812 PRESSAVG: 3479400 2.08172 -24.1299 -33.4495 -24.1299 -92.5514 -2.31702 -33.4495 -2.31697 4.48822 GPRESSAVG: 3479400 1.3983 -25.7261 -32.9378 -24.2439 -92.2609 -3.71987 -31.0698 0.413034 4.57259 TIMING: 3479400 CPU: 11049, 0.00311285/step Wall: 11049, 0.00311285/step, 1.31483 hours remaining, 234.398438 MB of memory in use. ENERGY: 3479400 3995.4986 20610.9432 14510.3957 255.6995 -203150.4909 2500.3352 0.0000 0.0000 52041.8139 -109235.8047 299.0850 -161277.6186 -108869.2235 299.6173 -81.8376 -54.2551 765096.1598 -28.6605 -28.7633 PRESSURE: 3479600 14.5668 67.1383 -64.1239 67.139 -78.6555 -46.0065 -64.1241 -46.006 -59.0025 GPRESSURE: 3479600 13.3929 -27.178 -89.6598 97.4852 1.4957 -25.1659 50.5632 114.394 -55.1038 PRESSAVG: 3479600 16.2506 17.7985 0.920224 17.7985 -48.9586 3.54672 0.920253 3.54674 2.73871 GPRESSAVG: 3479600 16.1162 19.6259 1.8293 16.0342 -49.1664 6.58857 0.304982 1.58226 3.57758 TIMING: 3479600 CPU: 11049.6, 0.0031161/step Wall: 11049.6, 0.0031161/step, 1.31603 hours remaining, 234.398438 MB of memory in use. ENERGY: 3479600 3966.0383 20560.9981 14507.8818 241.0475 -202820.3853 2340.8471 0.0000 0.0000 52060.5157 -109143.0569 299.1925 -161203.5725 -108779.3455 299.4544 -41.0304 -13.4050 762919.8118 -9.9897 -9.8242 PRESSURE: 3479800 39.1866 -136.894 301.403 -136.894 42.9967 99.8652 301.403 99.8649 209.487 GPRESSURE: 3479800 117.128 -205.635 291.606 -172.179 59.0538 96.1242 249.415 23.8163 195.786 PRESSAVG: 3479800 -46.2381 -83.1474 0.137204 -83.1474 -16.1781 41.0372 0.137197 41.0372 10.888 GPRESSAVG: 3479800 -46.0569 -85.0756 0.252324 -80.4452 -16.9174 37.9007 0.508136 40.4904 11.2502 TIMING: 3479800 CPU: 11050.2, 0.00315629/step Wall: 11050.2, 0.00315629/step, 1.33283 hours remaining, 234.398438 MB of memory in use. ENERGY: 3479800 3926.1983 20425.2079 14454.0484 235.3112 -202852.0449 2509.1898 0.0000 0.0000 52077.7246 -109224.3647 299.2914 -161302.0892 -108856.1238 299.2408 97.2234 123.9891 762070.6665 -17.1761 -17.2414 PRESSURE: 3480000 -310.964 -39.3982 14.5848 -39.3978 -45.3331 81.3217 14.5852 81.3222 -164.969 GPRESSURE: 3480000 -243.037 -62.5275 139.158 -76.1236 -62.841 19.881 185.87 196.539 -130.288 PRESSAVG: 3480000 33.7716 -46.3557 66.0397 -46.3557 -24.2887 -12.3209 66.0396 -12.321 9.02926 GPRESSAVG: 3480000 35.1968 -45.176 66.0008 -48.8741 -24.7551 -11.8753 65.9735 -11.7301 8.18358 TIMING: 3480000 CPU: 11050.8, 0.00311697/step Wall: 11050.8, 0.00311697/step, 1.31605 hours remaining, 234.398438 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: 3480000 3875.8460 20481.7134 14435.8367 252.6619 -203005.5034 2662.2384 0.0000 0.0000 52006.4746 -109290.7325 298.8819 -161297.2071 -108933.8084 299.3674 -173.7553 -145.3889 763510.9696 6.1707 6.2084 PRESSURE: 3480200 -35.7472 -3.69963 180.722 -3.69966 193.82 -106.923 180.721 -106.922 24.1158 GPRESSURE: 3480200 -80.0622 32.7872 168.906 -26.0779 309.112 -68.7269 167.065 -78.9389 49.5322 PRESSAVG: 3480200 -1.01492 29.1919 0.874395 29.1919 16.5007 -8.30176 0.874408 -8.30185 -4.04078 GPRESSAVG: 3480200 -2.96913 29.7081 1.22835 29.8766 18.0365 -5.97131 1.50902 -8.18839 -3.12662 TIMING: 3480200 CPU: 11051.5, 0.00312142/step Wall: 11051.5, 0.00312142/step, 1.31776 hours remaining, 234.398438 MB of memory in use. ENERGY: 3480200 3887.1999 20334.3903 14512.8213 262.1402 -202906.3513 2456.0860 0.0000 0.0000 52247.0721 -109206.6414 300.2646 -161453.7136 -108837.8543 299.6289 60.7297 92.8605 761579.1325 3.8150 3.9803 LDB: ============= START OF LOAD BALANCING ============== 11063.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11063.9 LDB: =============== DONE WITH MIGRATION ================ 11063.9 LDB: ============= START OF LOAD BALANCING ============== 11064.2 LDB: Largest compute 7074 load 0.029851 is 15.3% of average load 0.195623 LDB: Average compute 0.004372 is 2.2% of average load 0.195623 LDB: TIME 11064.2 LOAD: AVG 0.195623 MAX 0.214796 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.172 MB LDB: TIME 11064.2 LOAD: AVG 0.195623 MAX 0.214796 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: TIME 11064.2 LOAD: AVG 0.195623 MAX 0.214796 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: ============== END OF LOAD BALANCING =============== 11064.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11064.2 PRESSURE: 3480400 -83.5081 35.8048 -60.1792 35.8053 -247.797 117.221 -60.1789 117.221 -247.898 GPRESSURE: 3480400 -18.509 86.7056 12.0453 45.8889 -189.947 69.9575 0.303165 21.5797 -280.007 PRESSAVG: 3480400 -23.1428 -17.7301 80.1066 -17.7302 3.05544 -26.2469 80.1066 -26.2469 -12.2063 GPRESSAVG: 3480400 -22.3709 -15.6829 78.1415 -19.3198 3.27514 -27.4944 78.6568 -25.7906 -12.7717 TIMING: 3480400 CPU: 11052.1, 0.00319152/step Wall: 11052.1, 0.00319152/step, 1.34717 hours remaining, 233.546875 MB of memory in use. ENERGY: 3480400 3916.7238 20451.5785 14473.5184 248.3179 -202467.8576 2189.2476 0.0000 0.0000 51895.3360 -109293.1353 298.2432 -161188.4714 -108932.6445 299.2546 -193.0676 -162.8211 762649.1926 -10.7646 -10.6225 PRESSURE: 3480600 -204.276 -286.665 -3.25264 -286.666 142.658 16.0331 -3.25265 16.0323 166.955 GPRESSURE: 3480600 -146.994 -213.022 47.098 -317.314 193.211 -35.3353 -9.85287 45.6263 160.127 PRESSAVG: 3480600 41.8496 -41.7128 60.1794 -41.7128 -14.154 8.45253 60.1794 8.45256 -6.77443 GPRESSAVG: 3480600 42.0916 -43.0651 61.0899 -38.7788 -14.9801 10.5536 59.8245 7.06606 -5.86858 TIMING: 3480600 CPU: 11052.7, 0.00312698/step Wall: 11052.7, 0.00312698/step, 1.31976 hours remaining, 233.546875 MB of memory in use. ENERGY: 3480600 3978.8923 20496.3062 14451.3257 239.1250 -203218.1265 2634.4324 0.0000 0.0000 52183.7452 -109234.2997 299.9007 -161418.0449 -108863.3686 299.3350 35.1125 68.7813 760588.0702 6.9737 7.0810 PRESSURE: 3480800 147.232 63.8027 29.4162 63.8023 -148.195 23.4607 29.4152 23.4599 -515.941 GPRESSURE: 3480800 93.3687 -21.5735 36.975 87.683 -124.863 -22.3966 -37.4756 -16.6891 -407.377 PRESSAVG: 3480800 -0.0519095 5.68549 -39.5814 5.68555 -25.9479 43.2999 -39.5814 43.2999 23.3488 GPRESSAVG: 3480800 -1.14567 5.54434 -38.1791 3.58245 -25.7804 40.8135 -38.9485 43.0587 23.9289 TIMING: 3480800 CPU: 11053.3, 0.00310794/step Wall: 11053.3, 0.00310794/step, 1.31155 hours remaining, 233.546875 MB of memory in use. ENERGY: 3480800 4010.7523 20611.4571 14485.6495 252.3717 -203473.4143 2759.9008 0.0000 0.0000 52209.6694 -109143.6136 300.0497 -161353.2830 -108793.6781 299.4146 -172.3017 -146.2904 762650.3392 -0.8837 -0.9991 PRESSURE: 3481000 -221.929 1.60275 252.207 1.60261 -99.9137 -104.282 252.207 -104.282 -159.901 GPRESSURE: 3481000 -157.393 -25.2821 250.306 -110.298 -66.1249 -112.881 230.526 -109.959 -172.352 PRESSAVG: 3481000 28.1464 3.06754 10.6872 3.06752 -21.0548 16.9336 10.6872 16.9336 -11.2163 GPRESSAVG: 3481000 28.2438 1.17531 9.63208 3.22447 -20.2859 18.7371 10.6281 17.0236 -12.3672 TIMING: 3481000 CPU: 11054, 0.00310007/step Wall: 11054, 0.00310007/step, 1.30806 hours remaining, 233.816406 MB of memory in use. ENERGY: 3481000 3917.3188 20627.9790 14481.6839 238.8712 -202793.9743 2351.4325 0.0000 0.0000 52279.6480 -108897.0409 300.4519 -161176.6889 -108528.5389 299.8131 -160.5811 -131.9569 761998.2827 -1.3749 -1.4698 PRESSURE: 3481200 43.9984 -23.2848 -65.7083 -23.2845 67.5028 -50.9374 -65.7088 -50.9359 -132.449 GPRESSURE: 3481200 27.0121 47.8894 -109.632 -10.3083 104.971 -18.1311 -25.6631 -74.0466 -54.6452 PRESSAVG: 3481200 21.1198 -24.848 -39.3148 -24.848 -30.4977 -43.7766 -39.3149 -43.7766 13.128 GPRESSAVG: 3481200 21.2134 -22.5167 -37.3464 -23.2136 -30.9573 -43.3621 -38.0426 -44.6309 12.8845 TIMING: 3481200 CPU: 11054.6, 0.00311529/step Wall: 11054.6, 0.00311529/step, 1.3143 hours remaining, 233.957031 MB of memory in use. ENERGY: 3481200 3952.5612 20553.6770 14466.7753 260.9585 -203107.1953 2474.3325 0.0000 0.0000 52394.2389 -109004.6519 301.1104 -161398.8907 -108645.6402 300.1702 -6.9825 25.7791 761680.4101 1.2500 1.0469 PRESSURE: 3481400 -183.406 207.133 -42.8322 207.134 107.666 -179.885 -42.8316 -179.884 -253.446 GPRESSURE: 3481400 -133.313 247.647 -139.661 204.417 125.408 -175.326 -137.651 -132.409 -224.469 PRESSAVG: 3481400 13.3833 -25.7066 -14.3162 -25.7066 32.0915 -50.9139 -14.3162 -50.9139 -1.25118 GPRESSAVG: 3481400 14.9091 -27.9288 -16.2626 -26.2919 31.1529 -49.4438 -15.5916 -50.1802 -1.88075 TIMING: 3481400 CPU: 11055.2, 0.00311452/step Wall: 11055.2, 0.00311452/step, 1.31381 hours remaining, 233.957031 MB of memory in use. ENERGY: 3481400 4056.8738 20532.7773 14494.4470 251.1078 -203165.8419 2504.9661 0.0000 0.0000 52462.6493 -108863.0206 301.5036 -161325.6699 -108495.4635 300.1927 -109.7289 -77.4580 763612.5206 14.7412 14.7271 PRESSURE: 3481600 157.731 89.0817 78.6715 89.0818 226.923 -16.5661 78.673 -16.5669 -31.8249 GPRESSURE: 3481600 246.186 63.5563 42.6443 158.32 190.378 -11.6082 124.654 -10.9764 -12.0961 PRESSAVG: 3481600 23.3097 5.20727 17.3495 5.20727 -7.39686 21.3021 17.3495 21.3021 3.20804 GPRESSAVG: 3481600 24.4032 5.03379 17.753 5.14544 -8.60222 18.705 17.8836 23.8579 2.85299 TIMING: 3481600 CPU: 11055.8, 0.00311446/step Wall: 11055.8, 0.00311446/step, 1.31361 hours remaining, 233.957031 MB of memory in use. ENERGY: 3481600 4048.0210 20720.2781 14561.2617 237.3436 -203472.7476 2588.0861 0.0000 0.0000 52548.7683 -108768.9887 301.9985 -161317.7570 -108400.6557 300.7829 117.6095 141.4892 761794.5486 6.3736 6.2180 PRESSURE: 3481800 -180.365 -99.8792 14.4241 -99.8788 -53.691 61.2715 14.4235 61.2713 -177.849 GPRESSURE: 3481800 -113.75 46.9414 -0.311477 -54.9647 -58.6676 87.0324 -78.8029 -58.6086 -166.412 PRESSAVG: 3481800 -37.9502 -13.3089 -29.7433 -13.3089 2.29931 -13.4746 -29.7433 -13.4746 2.68042 GPRESSAVG: 3481800 -39.7533 -11.2203 -28.004 -12.3775 3.44621 -12.8496 -29.2767 -15.7504 3.38399 TIMING: 3481800 CPU: 11056.5, 0.00311136/step Wall: 11056.5, 0.00311137/step, 1.31213 hours remaining, 233.957031 MB of memory in use. ENERGY: 3481800 4004.8138 20608.8599 14456.7452 244.4278 -202992.3765 2238.9285 0.0000 0.0000 52527.1962 -108911.4049 301.8745 -161438.6011 -108531.7221 300.3786 -137.3015 -112.9431 762589.9715 -10.9902 -10.9744 PRESSURE: 3482000 -135.828 58.0946 -280.809 58.0947 -117.442 8.60736 -280.81 8.60884 -38.3564 GPRESSURE: 3482000 -47.6194 35.9102 -327.86 82.1112 -95.0195 -18.4287 -333.984 -10.8815 -63.4496 PRESSAVG: 3482000 0.333255 10.8722 10.7873 10.8722 -13.8325 -18.0247 10.7873 -18.0247 -17.9647 GPRESSAVG: 3482000 -0.460274 10.0353 8.53781 9.93666 -14.4084 -16.4301 8.93541 -17.5431 -17.3786 TIMING: 3482000 CPU: 11057.1, 0.0031214/step Wall: 11057.1, 0.0031214/step, 1.31619 hours remaining, 233.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3482000 4074.6651 20673.7916 14488.2533 261.2845 -203107.5919 2563.7653 0.0000 0.0000 52174.9237 -108870.9084 299.8500 -161045.8321 -108505.6410 300.2754 -97.2088 -68.6961 761954.2003 -10.4880 -10.7491 PRESSURE: 3482200 42.1645 -273.576 87.503 -273.575 213.697 -33.2447 87.5037 -33.2452 -345.978 GPRESSURE: 3482200 87.6573 -187.901 140.132 -175.834 226.41 -46.6897 83.8846 -134.541 -308.567 PRESSAVG: 3482200 24.9345 -1.20478 -18.0964 -1.20477 -15.2448 -5.6515 -18.0964 -5.65151 -5.62589 GPRESSAVG: 3482200 25.192 -0.312883 -17.8993 -0.935217 -15.3645 -6.72522 -15.8493 -9.15532 -5.62396 TIMING: 3482200 CPU: 11057.7, 0.00313166/step Wall: 11057.7, 0.00313166/step, 1.32034 hours remaining, 233.957031 MB of memory in use. ENERGY: 3482200 3987.0609 20489.2736 14511.4053 257.0800 -203095.0972 2466.1071 0.0000 0.0000 52495.0182 -108889.1522 301.6896 -161384.1705 -108517.7990 300.9770 -30.0390 1.8336 761833.0120 1.3546 1.4012 PRESSURE: 3482400 -415.611 47.7074 -74.3982 47.7081 -205.891 110.676 -74.398 110.676 78.2325 GPRESSURE: 3482400 -277.422 145.188 -74.8802 -28.4392 -240.594 119.677 -59.9061 105.308 80.7779 PRESSAVG: 3482400 34.4987 -49.8667 80.7519 -49.8668 11.3358 -29.8791 80.752 -29.8791 -6.42785 GPRESSAVG: 3482400 33.8652 -48.8241 83.0827 -49.6055 12.7247 -31.845 79.2088 -25.6153 -7.16307 TIMING: 3482400 CPU: 11058.3, 0.00311058/step Wall: 11058.3, 0.00311058/step, 1.31128 hours remaining, 233.957031 MB of memory in use. ENERGY: 3482400 4006.5083 20445.5461 14475.8510 257.2477 -203246.1808 2473.6677 0.0000 0.0000 52517.8484 -109069.5115 301.8208 -161587.3599 -108708.5054 300.5068 -181.0899 -145.7461 762063.5209 13.1355 13.1423 PRESSURE: 3482600 403.697 16.5958 6.91395 16.5958 265.839 107.752 6.91459 107.752 -9.19671 GPRESSURE: 3482600 407.552 -40.4419 73.828 -73.5781 243.272 114.734 45.525 -33.1882 91.0136 PRESSAVG: 3482600 23.8589 44.4258 -32.9844 44.4257 -39.7904 -43.0324 -32.9844 -43.0324 7.37887 GPRESSAVG: 3482600 24.3341 42.49 -33.5456 44.3212 -40.4666 -41.7925 -33.8559 -45.9198 7.61578 TIMING: 3482600 CPU: 11059, 0.00311436/step Wall: 11059, 0.00311436/step, 1.3127 hours remaining, 233.957031 MB of memory in use. ENERGY: 3482600 3987.4379 20602.8724 14455.5030 257.2408 -203813.2392 2842.2182 0.0000 0.0000 52145.8780 -109522.0889 299.6831 -161667.9669 -109166.1155 299.7525 220.1130 247.2793 760202.4204 -2.8509 -2.8389 PRESSURE: 3482800 -92.8138 -54.9377 -88.0465 -54.9389 -41.5842 74.086 -88.0462 74.0859 -71.4743 GPRESSURE: 3482800 -124.191 -66.8634 -173.606 -50.8068 0.670841 88.523 21.2289 16.6613 -1.71851 PRESSAVG: 3482800 14.4532 -26.3486 19.8229 -26.3486 26.5698 -8.83492 19.8228 -8.83489 4.90896 GPRESSAVG: 3482800 15.0083 -27.5931 20.6576 -25.9656 25.8393 -8.85412 21.7822 -5.96375 5.15021 TIMING: 3482800 CPU: 11059.6, 0.00312686/step Wall: 11059.6, 0.00312686/step, 1.3178 hours remaining, 233.957031 MB of memory in use. ENERGY: 3482800 4020.2130 20544.8594 14461.1081 239.1217 -203020.6915 2138.9893 0.0000 0.0000 52122.7565 -109493.6435 299.5502 -161616.4000 -109149.9185 299.4197 -68.6241 -41.7463 761011.6024 15.3107 15.3326 PRESSURE: 3483000 307.594 -16.9319 43.1268 -16.932 -8.65573 55.4128 43.1264 55.4151 -278.034 GPRESSURE: 3483000 238.785 28.8874 86.596 -100.61 17.1115 -23.1433 -16.7432 33.0962 -152.407 PRESSAVG: 3483000 37.4514 -35.5953 -44.606 -35.5954 -26.6595 -3.75402 -44.606 -3.75397 20.8385 GPRESSAVG: 3483000 36.5879 -32.7171 -44.6919 -36.3102 -25.9297 -3.86386 -45.7562 -5.99717 21.491 TIMING: 3483000 CPU: 11060.2, 0.00311909/step Wall: 11060.2, 0.00311909/step, 1.31435 hours remaining, 233.941406 MB of memory in use. ENERGY: 3483000 3984.1359 20409.1124 14465.4124 255.2649 -203041.2112 2337.9635 0.0000 0.0000 52150.0859 -109439.2363 299.7073 -161589.3222 -109069.8406 299.5270 6.9680 34.4964 760300.1159 10.5435 10.7164 PRESSURE: 3483200 -67.531 70.5734 -128.118 70.5737 -147.343 152.733 -128.117 152.732 -43.5023 GPRESSURE: 3483200 -117.946 120.566 -109.154 23.8765 -62.4101 172.394 3.50935 149.727 20.9481 PRESSAVG: 3483200 31.6167 -25.0928 18.4449 -25.0928 -65.7135 -1.06101 18.4449 -1.06088 -9.11167 GPRESSAVG: 3483200 30.3934 -25.3722 15.9364 -23.2094 -65.2761 -1.95206 20.455 0.811761 -8.75073 TIMING: 3483200 CPU: 11060.8, 0.00312838/step Wall: 11060.8, 0.00312838/step, 1.31809 hours remaining, 233.941406 MB of memory in use. ENERGY: 3483200 3951.0148 20528.7752 14498.3166 255.9935 -203098.4973 2297.8226 0.0000 0.0000 51927.6737 -109638.9009 298.4291 -161566.5745 -109275.5543 299.1122 -86.1253 -53.1360 761741.0351 -14.4028 -14.5445 PRESSURE: 3483400 -242.638 -247.635 14.6421 -247.635 121.063 99.7463 14.6423 99.747 -357.351 GPRESSURE: 3483400 -185.846 -244.824 46.6795 -303.902 123.713 158.925 -75.9493 103.93 -332.157 PRESSAVG: 3483400 82.3464 -24.5135 16.2543 -24.5135 -100.36 31.184 16.2543 31.1841 -10.3083 GPRESSAVG: 3483400 85.27 -23.0238 17.7807 -26.5051 -101.589 31.8971 12.721 31.1922 -11.9137 TIMING: 3483400 CPU: 11061.5, 0.0031166/step Wall: 11061.5, 0.0031166/step, 1.31296 hours remaining, 234.027344 MB of memory in use. ENERGY: 3483400 3918.0516 20606.8328 14496.9572 236.8477 -203400.3361 2456.1393 0.0000 0.0000 51940.8483 -109744.6592 298.5048 -161685.5075 -109387.1136 298.8158 -159.6419 -131.4300 761372.4033 -9.4406 -9.4111 PRESSURE: 3483600 5.6433 67.2356 -215.793 67.2361 36.5438 36.4411 -215.793 36.4422 29.7962 GPRESSURE: 3483600 88.5561 162.367 -187.352 -22.0036 -8.68157 32.0203 -282.645 -10.054 60.6397 PRESSAVG: 3483600 53.4359 -14.4326 34.1408 -14.4326 -74.1109 5.69963 34.1409 5.69971 4.6833 GPRESSAVG: 3483600 51.9447 -15.3441 34.4292 -14.4255 -72.292 6.653 35.0412 5.28204 4.37637 TIMING: 3483600 CPU: 11062.1, 0.00311434/step Wall: 11062.1, 0.00311435/step, 1.31183 hours remaining, 234.027344 MB of memory in use. ENERGY: 3483600 4035.0272 20644.7593 14475.2807 249.6390 -203470.2398 2542.8102 0.0000 0.0000 52013.9697 -109508.7536 298.9250 -161522.7233 -109149.0584 298.7010 23.9944 46.8381 759585.4347 -5.3306 -5.3236 PRESSURE: 3483800 -262.779 -143.758 -69.5452 -143.758 -369.265 17.5091 -69.545 17.5093 -266.998 GPRESSURE: 3483800 -259.52 -160.599 -101.296 -123.129 -322.399 -28.5176 -80.544 21.017 -226.99 PRESSAVG: 3483800 10.9358 -36.9426 21.2541 -36.9425 -32.1477 36.9096 21.2541 36.9095 12.2171 GPRESSAVG: 3483800 11.4642 -37.2909 20.8316 -36.2388 -34.2487 36.423 23.5496 36.3797 13.4306 TIMING: 3483800 CPU: 11062.7, 0.00310926/step Wall: 11062.7, 0.00310926/step, 1.30952 hours remaining, 234.027344 MB of memory in use. ENERGY: 3483800 3933.9272 20634.8700 14463.2843 227.7254 -203025.6484 2204.4877 0.0000 0.0000 52177.1049 -109384.2491 299.8625 -161561.3540 -109019.4155 299.5265 -299.6807 -269.6366 761875.5847 -2.9983 -3.1179 PRESSURE: 3484000 -76.6615 -94.3186 98.1078 -94.3182 -159.834 -143.016 98.1073 -143.016 -188.75 GPRESSURE: 3484000 -97.9547 2.95763 173.27 114.454 -83.5896 -175.414 173.948 -110.735 -162.379 PRESSAVG: 3484000 46.6663 -22.188 -29.4799 -22.188 -8.83215 25.996 -29.4798 25.996 5.28903 GPRESSAVG: 3484000 48.0817 -22.0876 -28.8515 -21.377 -7.74033 26.1691 -28.957 25.5771 3.02203 TIMING: 3484000 CPU: 11063.3, 0.00311221/step Wall: 11063.3, 0.00311221/step, 1.31059 hours remaining, 234.027344 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: 3484000 4027.4698 20547.5812 14511.5308 249.3224 -203403.2902 2358.4843 0.0000 0.0000 52323.5823 -109385.3194 300.7043 -161708.9018 -109018.3460 299.2932 -141.7485 -114.6410 760044.2899 14.3744 14.4545 PRESSURE: 3484200 278.713 -51.2879 -79.0938 -51.2871 12.8242 297.877 -79.0934 297.877 32.578 GPRESSURE: 3484200 302.246 -129.878 6.51997 -61.8715 22.1799 193.116 -141.446 243.356 83.066 PRESSAVG: 3484200 36.6231 -2.04489 -45.156 -2.04487 2.42989 -69.001 -45.156 -69.0011 1.63117 GPRESSAVG: 3484200 33.5767 -2.09082 -45.5949 -4.80351 3.10551 -69.8161 -46.9159 -68.7206 3.71906 TIMING: 3484200 CPU: 11063.9, 0.00310251/step Wall: 11063.9, 0.00310251/step, 1.30633 hours remaining, 234.027344 MB of memory in use. ENERGY: 3484200 4040.6019 20747.7152 14491.9740 256.2020 -203180.0639 2331.1434 0.0000 0.0000 51935.1758 -109377.2517 298.4722 -161312.4274 -109023.8267 299.9597 108.0383 135.8305 759929.2929 13.5614 13.4671 LDB: ============= START OF LOAD BALANCING ============== 11076.4 LDB: ============== END OF LOAD BALANCING =============== 11076.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11076.4 LDB: ============= START OF LOAD BALANCING ============== 11076.7 LDB: Largest compute 7070 load 0.030374 is 15.5% of average load 0.195561 LDB: Average compute 0.004399 is 2.2% of average load 0.195561 LDB: TIME 11076.7 LOAD: AVG 0.195561 MAX 0.212108 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.816 MB LDB: TIME 11076.7 LOAD: AVG 0.195561 MAX 0.212108 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: TIME 11076.7 LOAD: AVG 0.195561 MAX 0.212108 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: ============== END OF LOAD BALANCING =============== 11076.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11076.7 PRESSURE: 3484400 -35.8163 -275.649 -25.6593 -275.649 -219.046 222.588 -25.6592 222.588 281.376 GPRESSURE: 3484400 -32.1904 -277.925 -50.0929 -219.793 -38.6527 87.3895 -17.9089 271.778 197.717 PRESSAVG: 3484400 -9.02394 -62.8866 -73.3699 -62.8866 29.1601 -10.2111 -73.3699 -10.2111 -1.54619 GPRESSAVG: 3484400 -8.514 -59.201 -74.2317 -62.5241 30.0887 -11.3498 -72.5318 -9.20526 -2.44224 TIMING: 3484400 CPU: 11064.6, 0.0031776/step Wall: 11064.6, 0.0031776/step, 1.33777 hours remaining, 234.843750 MB of memory in use. ENERGY: 3484400 3963.0770 20597.2376 14533.8370 254.9232 -203114.1216 2387.4348 0.0000 0.0000 52022.3031 -109355.3089 298.9729 -161377.6120 -108987.8691 299.8622 8.8378 42.2912 761707.7502 6.1966 6.3775 PRESSURE: 3484600 -176.354 18.0922 -28.483 18.0923 187.141 0.731476 -28.4834 0.731204 46.1231 GPRESSURE: 3484600 -129.212 -48.0805 -36.3888 -35.8941 183.028 -59.0509 35.0914 62.3949 87.1402 PRESSAVG: 3484600 42.9179 -51.15 8.68084 -51.15 -23.0522 12.1598 8.68082 12.1599 -18.0964 GPRESSAVG: 3484600 42.6328 -53.9237 8.7377 -49.3319 -24.6932 12.8195 8.28537 11.8235 -16.5111 TIMING: 3484600 CPU: 11065.2, 0.00311594/step Wall: 11065.2, 0.00311594/step, 1.31164 hours remaining, 234.843750 MB of memory in use. ENERGY: 3484600 3989.6533 20345.7182 14432.4778 265.5400 -203169.0413 2450.6810 0.0000 0.0000 52246.4080 -109438.5631 300.2608 -161684.9711 -109078.8978 299.6842 18.9702 46.9852 760117.6030 0.5898 0.4761 PRESSURE: 3484800 175.361 105.119 5.27286 105.118 -95.68 -37.3954 5.27329 -37.3948 -110.16 GPRESSURE: 3484800 152.418 77.7656 76.9499 -62.7028 -44.4972 2.15888 -123.094 35.1593 -36.0665 PRESSAVG: 3484800 17.5111 -50.7759 35.2605 -50.7759 -15.6428 32.6109 35.2605 32.6109 14.7705 GPRESSAVG: 3484800 17.4464 -50.7666 36.1157 -52.7538 -13.8868 32.6447 35.2488 31.8149 12.7261 TIMING: 3484800 CPU: 11065.8, 0.00312143/step Wall: 11065.8, 0.00312143/step, 1.31377 hours remaining, 234.843750 MB of memory in use. ENERGY: 3484800 4001.7457 20682.2218 14388.5368 260.9785 -203751.4374 2648.6046 0.0000 0.0000 52150.4772 -109618.8730 299.7095 -161769.3502 -109260.8150 299.1836 -10.1598 23.9514 759282.7296 5.5463 5.4286 PRESSURE: 3485000 45.4153 -138.498 -68.3212 -138.499 -130.143 -124.362 -68.3212 -124.361 -194.922 GPRESSURE: 3485000 -34.5967 -49.4718 5.68961 -92.5797 29.9663 -52.8676 -30.3043 -238.88 -206.543 PRESSAVG: 3485000 35.9691 -39.6103 33.4346 -39.6104 -1.27165 4.49261 33.4346 4.49254 -8.83467 GPRESSAVG: 3485000 37.2667 -37.6418 33.9992 -38.2542 -4.37009 5.11468 32.0775 4.93374 -7.76522 TIMING: 3485000 CPU: 11066.4, 0.00311927/step Wall: 11066.4, 0.00311927/step, 1.31269 hours remaining, 234.843750 MB of memory in use. ENERGY: 3485000 4020.8258 20469.8671 14411.0073 239.3448 -203703.0179 2706.7579 0.0000 0.0000 52200.4377 -109654.7772 299.9966 -161855.2149 -109281.7853 298.7171 -93.2164 -70.3910 760341.2689 8.6209 8.3771 PRESSURE: 3485200 325.929 140.399 306.754 140.399 255.844 197.423 306.754 197.423 -35.799 GPRESSURE: 3485200 340.054 171.775 258.644 129.735 381.503 211.307 125.094 150.524 -65.3365 PRESSAVG: 3485200 -27.3988 -24.1735 -36.7584 -24.1735 -5.22184 2.83879 -36.7583 2.83877 5.06663 GPRESSAVG: 3485200 -28.156 -25.7994 -37.9672 -25.2559 -3.8772 3.09984 -33.9801 0.83194 4.26435 TIMING: 3485200 CPU: 11067.1, 0.00311556/step Wall: 11067.1, 0.00311556/step, 1.31096 hours remaining, 234.843750 MB of memory in use. ENERGY: 3485200 3986.3546 20585.5134 14428.7597 250.0765 -203668.4436 2905.3034 0.0000 0.0000 51829.0999 -109683.3361 297.8625 -161512.4360 -109317.2930 298.8478 181.9914 218.7400 758458.6804 -9.1847 -9.2563 PRESSURE: 3485400 -66.5791 -146.931 44.3582 -146.931 -243.463 5.57731 44.3587 5.57734 -419.159 GPRESSURE: 3485400 -54.8241 -135.656 61.3816 -208.161 -210.728 9.7451 -71.2387 -17.581 -389.641 PRESSAVG: 3485400 -14.8803 25.4264 -8.42396 25.4263 14.7362 -33.3335 -8.42393 -33.3334 13.1981 GPRESSAVG: 3485400 -14.8823 25.4461 -8.14279 25.2902 14.6013 -33.8022 -10.0661 -30.4149 13.588 TIMING: 3485400 CPU: 11067.7, 0.00310735/step Wall: 11067.7, 0.00310735/step, 1.30733 hours remaining, 234.843750 MB of memory in use. ENERGY: 3485400 3895.9751 20609.6490 14419.8760 238.8694 -203444.8444 2379.1916 0.0000 0.0000 52118.1943 -109783.0889 299.5240 -161901.2833 -109425.3903 298.4932 -243.0670 -218.3975 759909.8581 4.3513 4.4357 PRESSURE: 3485600 94.788 -44.1983 13.8 -44.1979 -277.732 153.251 13.7997 153.251 137.988 GPRESSURE: 3485600 18.7495 -16.612 -34.9191 -6.01135 -133.546 238.123 -11.1895 102.987 163.504 PRESSAVG: 3485600 16.487 -4.00375 -9.75878 -4.00367 34.3373 -30.89 -9.75885 -30.8901 14.3426 GPRESSAVG: 3485600 16.2347 -4.69221 -11.2517 -2.22112 34.6625 -30.975 -9.55342 -32.4506 14.5471 TIMING: 3485600 CPU: 11068.3, 0.00310087/step Wall: 11068.3, 0.00310087/step, 1.30443 hours remaining, 234.843750 MB of memory in use. ENERGY: 3485600 4009.7520 20553.2840 14433.9502 248.2852 -203387.8194 2517.4996 0.0000 0.0000 51887.7003 -109737.3481 298.1993 -161625.0484 -109381.7660 298.8920 -14.9852 16.2359 759453.2768 21.7223 21.8147 PRESSURE: 3485800 -309.099 66.5649 43.4929 66.5642 -62.5582 -108.594 43.4928 -108.593 173.3 GPRESSURE: 3485800 -233.603 79.8279 -41.6073 132.242 -63.1792 -192.599 123.198 37.9416 166.79 PRESSAVG: 3485800 -33.0894 -3.57157 -32.8255 -3.57164 21.2283 -25.261 -32.8255 -25.261 4.22769 GPRESSAVG: 3485800 -32.3312 -3.29187 -32.0521 -3.89334 20.3515 -25.3414 -31.3597 -22.6869 4.55481 TIMING: 3485800 CPU: 11068.9, 0.00310492/step Wall: 11068.9, 0.00310492/step, 1.30596 hours remaining, 234.843750 MB of memory in use. ENERGY: 3485800 4050.3569 20595.6084 14342.8910 234.4185 -203034.8324 2506.0817 0.0000 0.0000 51966.6715 -109338.8044 298.6532 -161305.4759 -108981.6166 299.1441 -66.1190 -43.3310 760869.6970 -2.5445 -2.4750 PRESSURE: 3486000 -115.77 -120.985 -155.413 -120.985 -8.69389 90.7746 -155.412 90.7748 -452.434 GPRESSURE: 3486000 -128.938 -133.009 -174.341 -30.3923 58.3652 88.4429 -115.193 159.265 -413.208 PRESSAVG: 3486000 -12.3745 26.7036 -8.47589 26.7035 33.3884 -1.88593 -8.47581 -1.88594 12.1892 GPRESSAVG: 3486000 -12.873 27.1106 -10.1117 25.4298 34.4648 -1.92914 -8.42706 -2.26575 11.5872 TIMING: 3486000 CPU: 11069.6, 0.00311012/step Wall: 11069.6, 0.00311012/step, 1.30798 hours remaining, 234.843750 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: 3486000 4014.4818 20644.6154 14433.6194 259.5864 -203557.1469 2578.5971 0.0000 0.0000 52153.8634 -109472.3834 299.7290 -161626.2468 -109110.7725 299.2953 -192.2994 -161.2603 760342.0748 11.0677 11.0597 PRESSURE: 3486200 -269.293 -188.818 158.13 -188.818 -206.12 -186.3 158.13 -186.3 154.999 GPRESSURE: 3486200 -274.791 -253.596 204.289 -188.931 -82.2949 -154.181 181.046 -169.79 123.468 PRESSAVG: 3486200 -10.4157 9.86585 -15.2175 9.8658 -3.06326 28.5338 -15.2176 28.5338 -12.4394 GPRESSAVG: 3486200 -10.6655 8.89107 -15.2125 11.3598 -2.95858 27.8292 -15.7547 27.8844 -12.6902 TIMING: 3486200 CPU: 11070.2, 0.0031033/step Wall: 11070.2, 0.0031033/step, 1.30494 hours remaining, 234.843750 MB of memory in use. ENERGY: 3486200 3923.3745 20563.6713 14381.3276 231.1150 -203302.9931 2639.1363 0.0000 0.0000 52130.2603 -109434.1082 299.5933 -161564.3685 -109069.7591 298.9329 -106.8048 -77.8727 760967.2584 -8.6395 -8.7714 PRESSURE: 3486400 318.378 263.966 14.3862 263.967 19.839 84.2377 14.3858 84.2379 476.654 GPRESSURE: 3486400 415.428 122.1 -35.3268 174.603 6.31313 60.0391 22.6334 24.0123 483.688 PRESSAVG: 3486400 -7.36547 0.310961 -90.7729 0.310965 -9.16445 54.8763 -90.773 54.8764 21.4536 GPRESSAVG: 3486400 -6.84812 -0.334628 -88.1653 -0.797554 -9.89802 54.7171 -90.5463 51.8076 21.8652 TIMING: 3486400 CPU: 11070.8, 0.00311512/step Wall: 11070.8, 0.00311512/step, 1.30974 hours remaining, 234.843750 MB of memory in use. ENERGY: 3486400 4053.8584 20404.7841 14419.1118 254.8755 -203246.4265 2650.9632 0.0000 0.0000 52101.7521 -109361.0814 299.4295 -161462.8335 -109005.7987 299.5083 271.6236 301.8095 760287.4602 1.6412 1.7064 PRESSURE: 3486600 137.297 -264.273 -223.081 -264.273 254.335 -148.401 -223.081 -148.402 -114.363 GPRESSURE: 3486600 165.259 -298.89 -218.247 -9.03036 239.49 -89.59 -131.776 -105.879 -68.2906 PRESSAVG: 3486600 -63.3998 -16.3614 -56.9802 -16.3615 48.6905 -8.16445 -56.9802 -8.16443 1.8309 GPRESSAVG: 3486600 -64.3587 -15.0663 -56.6335 -15.7038 48.9885 -6.79922 -58.2381 -6.7641 1.90077 TIMING: 3486600 CPU: 11071.4, 0.0031085/step Wall: 11071.4, 0.0031085/step, 1.30678 hours remaining, 234.843750 MB of memory in use. ENERGY: 3486600 3982.0301 20615.5834 14410.1603 255.8136 -203621.5224 2784.2633 0.0000 0.0000 52089.5291 -109484.1427 299.3592 -161573.6717 -109123.7753 299.5206 92.4231 112.1531 760742.4779 -4.2928 -4.4898 PRESSURE: 3486800 -184.492 115.263 2.82839 115.264 -713.487 -27.175 2.8287 -27.1744 -361.808 GPRESSURE: 3486800 -235.457 14.4371 -25.6421 60.9096 -627.178 -59.2475 63.7315 52.0484 -313.441 PRESSAVG: 3486800 21.0803 -11.9957 -27.0633 -11.9957 -57.5584 51.8982 -27.0633 51.8983 -9.14791 GPRESSAVG: 3486800 20.6824 -12.3386 -28.4904 -10.4852 -56.5548 52.3366 -25.2005 51.3594 -9.57329 TIMING: 3486800 CPU: 11072, 0.00311176/step Wall: 11072, 0.00311176/step, 1.30798 hours remaining, 234.843750 MB of memory in use. ENERGY: 3486800 4073.0138 20499.3266 14443.8472 226.8160 -202657.9654 2071.5200 0.0000 0.0000 51768.1358 -109575.3060 297.5122 -161343.4418 -109204.6323 299.3568 -419.9291 -392.0254 763494.9461 -15.2087 -15.1486 PRESSURE: 3487000 -15.542 12.596 -72.1968 12.5964 484.418 147.577 -72.1968 147.578 132.386 GPRESSURE: 3487000 37.9471 50.8886 -8.79048 -40.196 498.837 115.973 -194.314 121.761 150.514 PRESSAVG: 3487000 23.7629 -35.5888 -29.8334 -35.5888 -6.96754 -5.87574 -29.8334 -5.8758 -15.378 GPRESSAVG: 3487000 25.4724 -34.6567 -29.2162 -38.7395 -8.14484 -6.89826 -32.2312 -5.45816 -16.3435 TIMING: 3487000 CPU: 11072.7, 0.0031061/step Wall: 11072.7, 0.0031061/step, 1.30542 hours remaining, 234.843750 MB of memory in use. ENERGY: 3487000 3944.3192 20499.1667 14543.1176 251.0682 -203789.6644 3014.3897 0.0000 0.0000 51920.4516 -109617.1515 298.3875 -161537.6031 -109264.1892 298.6643 200.4205 229.0992 761134.9682 0.4725 0.3280 PRESSURE: 3487200 61.8018 82.2649 254.876 82.265 -208.669 -43.0533 254.875 -43.0523 56.3537 GPRESSURE: 3487200 102.334 166.811 261.982 146.898 -109.703 -66.2897 228.844 5.25375 5.31416 PRESSAVG: 3487200 -7.45002 6.04642 11.6109 6.04643 10.0908 25.1503 11.6109 25.1503 -0.0697105 GPRESSAVG: 3487200 -8.9515 3.74237 12.6836 6.97763 9.95363 26.3559 10.4183 25.0908 0.939718 TIMING: 3487200 CPU: 11073.3, 0.00312127/step Wall: 11073.3, 0.00312127/step, 1.31163 hours remaining, 234.843750 MB of memory in use. ENERGY: 3487200 3961.7336 20473.8706 14553.6568 246.6860 -203407.5758 2599.2368 0.0000 0.0000 51742.1558 -109830.2361 297.3629 -161572.3919 -109474.4251 298.8336 -30.1711 -0.6851 762973.1659 0.8570 0.6473 PRESSURE: 3487400 94.2363 -12.189 -1.87155 -12.1904 -252.066 -2.92379 -1.87153 -2.92473 -144.378 GPRESSURE: 3487400 93.4033 -119.782 10.0465 -15.3234 -205.059 39.0204 -18.6319 -108.508 -106.308 PRESSAVG: 3487400 41.7999 -16.0227 -15.7749 -16.0226 1.89038 34.3449 -15.7748 34.3449 27.9711 GPRESSAVG: 3487400 42.8796 -13.3481 -15.5557 -17.5124 0.487609 33.9619 -12.6698 33.9224 28.2518 TIMING: 3487400 CPU: 11073.9, 0.00312973/step Wall: 11073.9, 0.00312973/step, 1.31501 hours remaining, 234.843750 MB of memory in use. ENERGY: 3487400 3930.4693 20476.6689 14449.7901 243.4994 -203265.3615 2532.8021 0.0000 0.0000 52061.4761 -109570.6556 299.1980 -161632.1317 -109198.9846 298.5740 -100.7357 -72.6546 762096.2532 23.8871 23.8730 PRESSURE: 3487600 327.277 155.835 122.632 155.835 12.4687 -185.251 122.633 -185.251 -51.8864 GPRESSURE: 3487600 330.499 151.306 37.6378 79.8473 96.6301 -129.992 136.686 -93.49 -54.8393 PRESSAVG: 3487600 52.8318 -33.4482 -20.8348 -33.4481 -18.9114 42.8494 -20.8347 42.8493 -9.48324 GPRESSAVG: 3487600 52.9776 -34.7906 -22.363 -32.2976 -18.5437 42.3218 -20.8753 44.392 -10.2282 TIMING: 3487600 CPU: 11074.5, 0.00312403/step Wall: 11074.5, 0.00312403/step, 1.31244 hours remaining, 234.843750 MB of memory in use. ENERGY: 3487600 3944.6906 20522.4697 14458.6982 241.0242 -203600.8356 2743.4094 0.0000 0.0000 52042.5108 -109648.0326 299.0890 -161690.5434 -109291.6884 299.2080 95.9531 124.0967 760846.2126 8.1457 8.0686 PRESSURE: 3487800 276.175 55.1867 -56.5066 55.1871 179.253 -43.9426 -56.5068 -43.9423 162.447 GPRESSURE: 3487800 344.855 0.620191 6.75102 28.8555 201.75 -14.0901 -27.7749 -75.9043 162.559 PRESSAVG: 3487800 -73.5207 9.01106 16.9582 9.01102 67.55 43.9735 16.9583 43.9735 11.6373 GPRESSAVG: 3487800 -73.4201 8.09256 18.3138 9.27867 68.4116 44.1503 14.7132 42.0446 11.0552 TIMING: 3487800 CPU: 11075.2, 0.00311423/step Wall: 11075.2, 0.00311423/step, 1.30815 hours remaining, 234.843750 MB of memory in use. ENERGY: 3487800 3959.0512 20655.1607 14507.2566 256.9763 -203621.0996 2823.1780 0.0000 0.0000 52045.4886 -109373.9881 299.1061 -161419.4768 -109015.3975 299.6031 205.9581 236.3880 760793.8904 1.8889 2.0156 PRESSURE: 3488000 -299.165 -153.546 -320.934 -153.546 -329.857 -167.592 -320.934 -167.59 -98.1122 GPRESSURE: 3488000 -260.402 -61.3027 -409.246 -120.564 -312.916 -99.1236 -286.722 -87.0147 -91.7177 PRESSAVG: 3488000 31.9326 5.2332 1.30299 5.2332 -40.0561 -30.2639 1.30297 -30.2639 0.158478 GPRESSAVG: 3488000 31.4452 6.25491 0.156618 5.91816 -40.753 -30.9587 2.75836 -29.7231 1.32961 TIMING: 3488000 CPU: 11075.8, 0.0031199/step Wall: 11075.8, 0.0031199/step, 1.31036 hours remaining, 234.843750 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: 3488000 4015.0942 20605.9537 14488.5726 243.4152 -203861.2226 2819.9563 0.0000 0.0000 52054.7945 -109633.4362 299.1596 -161688.2307 -109274.6887 299.8575 -242.3781 -221.6784 760147.5681 -2.6550 -2.6594 PRESSURE: 3488200 -215.083 -276.876 -185.819 -276.877 -391.252 -122.622 -185.819 -122.621 -66.3324 GPRESSURE: 3488200 -144.968 -171.686 -149.448 -130.78 -386.921 -183.516 -261.229 -14.5982 -59.6454 PRESSAVG: 3488200 18.0539 8.45258 -43.2652 8.45259 -41.0719 -4.78837 -43.2652 -4.7883 4.76891 GPRESSAVG: 3488200 18.7289 7.84511 -42.1121 7.20809 -41.0851 -4.95618 -41.6928 -4.82559 4.17321 TIMING: 3488200 CPU: 11076.4, 0.00310521/step Wall: 11076.4, 0.00310521/step, 1.30401 hours remaining, 234.843750 MB of memory in use. ENERGY: 3488200 3976.0957 20519.3566 14526.1704 257.6392 -203146.6916 2239.2269 0.0000 0.0000 51867.9935 -109760.2093 298.0861 -161628.2028 -109401.0982 298.5813 -224.2225 -197.1781 760765.1852 -6.0830 -6.0610 LDB: ============= START OF LOAD BALANCING ============== 11088.8 LDB: ============== END OF LOAD BALANCING =============== 11088.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11088.8 LDB: ============= START OF LOAD BALANCING ============== 11089.1 LDB: Largest compute 7031 load 0.030047 is 15.4% of average load 0.195608 LDB: Average compute 0.004389 is 2.2% of average load 0.195608 LDB: TIME 11089.1 LOAD: AVG 0.195608 MAX 0.213724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 11089.1 LOAD: AVG 0.195608 MAX 0.213724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 11089.1 LOAD: AVG 0.195608 MAX 0.213724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 11089.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11089.1 PRESSURE: 3488400 -122.957 12.2882 -61.9121 12.2883 -96.2622 -223.62 -61.9132 -223.62 324.543 GPRESSURE: 3488400 -32.2918 32.3691 39.9817 -56.5533 -161.094 -217.755 -35.5014 -166.494 382.463 PRESSAVG: 3488400 19.6981 -7.2402 8.07098 -7.24016 -8.32195 -33.0095 8.07094 -33.0095 3.81361 GPRESSAVG: 3488400 20.2481 -7.85614 10.1072 -7.58962 -8.96289 -31.639 5.06514 -34.6147 3.76192 TIMING: 3488400 CPU: 11077, 0.00316883/step Wall: 11077, 0.00316883/step, 1.33056 hours remaining, 233.042969 MB of memory in use. ENERGY: 3488400 3862.7684 20516.6912 14463.2387 244.5402 -203533.6197 2426.6145 0.0000 0.0000 52135.8983 -109883.8684 299.6257 -162019.7667 -109522.3423 298.4362 35.1080 63.0259 760641.8214 5.0632 5.0157 PRESSURE: 3488600 -54.4352 -2.42809 42.5466 -2.42789 -197.186 -26.4267 42.547 -26.4257 232.188 GPRESSURE: 3488600 -63.062 -23.7482 105.467 113.44 -151.478 -59.28 -21.6977 0.770511 285.108 PRESSAVG: 3488600 2.11739 83.7694 5.53918 83.7694 -60.7757 -25.2818 5.53928 -25.2818 -23.2748 GPRESSAVG: 3488600 2.00931 83.8734 3.86584 84.2491 -59.2091 -26.899 6.19216 -24.1397 -24.1372 TIMING: 3488600 CPU: 11077.7, 0.00312364/step Wall: 11077.7, 0.00312364/step, 1.31141 hours remaining, 233.054688 MB of memory in use. ENERGY: 3488600 3908.7914 20675.5725 14401.5315 248.2488 -203468.2292 2469.6522 0.0000 0.0000 52025.7008 -109738.7320 298.9924 -161764.4328 -109382.1074 298.6461 -6.4778 23.5228 759782.3486 -27.3110 -27.1123 PRESSURE: 3488800 120.705 81.9606 54.8761 81.9603 -51.6406 133.824 54.8761 133.823 311.324 GPRESSURE: 3488800 101.381 113.636 77.6155 105.773 -15.8564 155.786 24.4342 119.694 374.186 PRESSAVG: 3488800 54.7958 39.7571 19.8095 39.7571 -33.1703 -13.1668 19.8095 -13.1668 8.78743 GPRESSAVG: 3488800 54.9655 41.4109 19.8575 37.2647 -33.8502 -12.7697 22.6121 -11.816 9.36864 TIMING: 3488800 CPU: 11078.3, 0.00310071/step Wall: 11078.3, 0.00310071/step, 1.30161 hours remaining, 233.054688 MB of memory in use. ENERGY: 3488800 4013.3275 20668.8070 14490.9067 240.7039 -203499.2367 2460.7968 0.0000 0.0000 52043.0235 -109581.6713 299.0920 -161624.6948 -109219.8992 299.0415 126.7963 153.2368 759339.4580 10.1376 10.1613 PRESSURE: 3489000 170.831 -28.5163 -276.061 -28.5154 145.335 -145.656 -276.06 -145.656 -64.4114 GPRESSURE: 3489000 220.162 16.6386 -183.203 -59.3596 141.157 -200.673 -195.661 -150.976 -31.7515 PRESSAVG: 3489000 91.3266 13.4278 -18.1236 13.4277 -63.3496 11.8563 -18.1236 11.8563 3.26021 GPRESSAVG: 3489000 90.4986 13.3034 -18.1754 14.207 -63.2146 11.1824 -20.625 11.4936 3.5571 TIMING: 3489000 CPU: 11078.9, 0.0031144/step Wall: 11078.9, 0.0031144/step, 1.30718 hours remaining, 233.054688 MB of memory in use. ENERGY: 3489000 3901.7111 20449.5240 14448.4005 240.0793 -203592.2729 2719.0493 0.0000 0.0000 52008.2607 -109825.2479 298.8922 -161833.5086 -109470.4782 298.9471 83.9180 109.8560 760398.2487 10.4124 10.2803 PRESSURE: 3489200 334.185 -86.5698 119.312 -86.5699 347.613 394.413 119.312 394.413 601.213 GPRESSURE: 3489200 441.511 -156.07 40.5277 -94.2956 340.074 349.951 18.392 258.881 599.2 PRESSAVG: 3489200 46.5766 6.1753 -8.91666 6.17528 -7.14868 33.7356 -8.91668 33.7356 3.01906 GPRESSAVG: 3489200 46.0906 6.17279 -8.0403 7.0275 -7.30395 33.3561 -8.31961 32.4649 3.43194 TIMING: 3489200 CPU: 11079.5, 0.00312707/step Wall: 11079.5, 0.00312707/step, 1.31233 hours remaining, 233.054688 MB of memory in use. ENERGY: 3489200 3838.7234 20646.8214 14461.5327 249.5869 -203792.4328 2851.5009 0.0000 0.0000 52109.2595 -109635.0080 299.4726 -161744.2675 -109279.6415 298.8107 427.6703 460.2619 761071.5287 14.1490 14.0729 PRESSURE: 3489400 -592.857 137.624 -42.6633 137.625 -398.392 -43.5393 -42.6633 -43.5391 95.324 GPRESSURE: 3489400 -550.492 192.582 15.7665 13.6479 -336.367 -2.29246 47.4522 -82.2668 83.3398 PRESSAVG: 3489400 2.96945 -28.2912 39.9027 -28.2912 -0.804502 37.4926 39.9027 37.4926 15.0711 GPRESSAVG: 3489400 4.10219 -29.8184 40.2854 -30.4008 -0.662771 37.9923 39.9393 36.8209 12.9992 TIMING: 3489400 CPU: 11080.2, 0.00311852/step Wall: 11080.2, 0.00311852/step, 1.30857 hours remaining, 233.054688 MB of memory in use. ENERGY: 3489400 3975.8037 20415.3457 14509.6277 239.2563 -203419.1704 2574.3813 0.0000 0.0000 51989.0868 -109715.6690 298.7820 -161704.7558 -109348.8934 298.6793 -298.6417 -267.8396 761916.4704 5.7453 5.4795 PRESSURE: 3489600 244.427 -64.5142 -33.1513 -64.515 -62.3665 186.778 -33.1514 186.778 -259.203 GPRESSURE: 3489600 124.596 -120.04 -26.111 -15.2238 25.8535 214.903 -3.96533 125.296 -151.349 PRESSAVG: 3489600 -15.1323 4.83024 -12.6736 4.83025 12.4683 49.99 -12.6736 49.99 -22.2567 GPRESSAVG: 3489600 -16.2647 6.12939 -14.701 6.17459 12.0962 50.2967 -12.3114 49.4103 -20.9667 TIMING: 3489600 CPU: 11080.8, 0.00310403/step Wall: 11080.8, 0.00310403/step, 1.30231 hours remaining, 233.054688 MB of memory in use. ENERGY: 3489600 4018.4151 20605.9487 14499.5970 256.7376 -203875.4902 2672.6630 0.0000 0.0000 52136.1665 -109685.9623 299.6273 -161822.1288 -109319.4924 298.9028 -25.7142 -0.3000 760802.0608 -8.3069 -8.3784 PRESSURE: 3489800 151.923 -76.0361 -293.403 -76.0367 29.0313 -160.333 -293.404 -160.333 72.1053 GPRESSURE: 3489800 208.505 -140.887 -377.775 -107.942 21.5627 -73.6008 -288.462 -54.3694 115.41 PRESSAVG: 3489800 54.4609 7.44555 -11.88 7.44557 -44.5037 41.6344 -11.8801 41.6345 -4.28943 GPRESSAVG: 3489800 53.6444 7.71589 -10.3448 8.13056 -44.0141 42.62 -14.4589 42.2149 -4.31343 TIMING: 3489800 CPU: 11081.4, 0.00311759/step Wall: 11081.4, 0.00311759/step, 1.30783 hours remaining, 233.054688 MB of memory in use. ENERGY: 3489800 3984.5150 20546.6941 14485.2778 242.8619 -203928.0372 2845.9374 0.0000 0.0000 52191.8652 -109630.8860 299.9474 -161822.7512 -109274.9449 298.8840 84.3531 115.1590 760392.8260 1.8893 1.7723 PRESSURE: 3490000 76.0138 65.716 -285.889 65.7153 425.325 115.055 -285.889 115.055 304.408 GPRESSURE: 3490000 253.143 29.8544 -296.482 27.0701 416.457 81.4626 -109.733 40.9426 250.346 PRESSAVG: 3490000 -9.44588 -31.0354 -38.4991 -31.0355 0.943045 3.06006 -38.4992 3.06004 0.689662 GPRESSAVG: 3490000 -8.43414 -31.5729 -39.9234 -31.5392 0.803461 1.94611 -36.764 3.0722 -0.0945851 TIMING: 3490000 CPU: 11082, 0.00312212/step Wall: 11082, 0.00312212/step, 1.30956 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3490000 4007.8528 20519.5076 14514.2826 247.2310 -203806.2497 2945.1075 0.0000 0.0000 51756.3948 -109815.8735 297.4447 -161572.2683 -109455.7291 298.6713 268.5824 306.6487 761008.1432 -2.6044 -2.5751 PRESSURE: 3490200 -340.353 194.909 4.14634 194.909 -194.234 -1.74386 4.14681 -1.74409 58.1469 GPRESSURE: 3490200 -259.948 227.631 10.3673 72.5415 -206.433 13.1006 -46.8986 -78.779 86.38 PRESSAVG: 3490200 -35.2884 -55.0545 -69.1808 -55.0545 -12.1605 26.2678 -69.1808 26.2678 -11.1038 GPRESSAVG: 3490200 -34.1916 -55.9796 -67.7938 -54.0116 -13.1561 25.1485 -70.9876 27.1146 -11.5404 TIMING: 3490200 CPU: 11082.6, 0.00311758/step Wall: 11082.6, 0.00311758/step, 1.30748 hours remaining, 233.054688 MB of memory in use. ENERGY: 3490200 4021.2107 20463.5210 14496.4392 249.1314 -203347.7543 2237.1234 0.0000 0.0000 51803.7188 -110076.6098 297.7167 -161880.3286 -109720.9273 298.4498 -158.8134 -126.6671 760260.5754 -19.5176 -19.6294 PRESSURE: 3490400 -179.661 0.323948 -51.1339 0.323295 -227.489 -347.926 -51.1339 -347.924 48.7264 GPRESSURE: 3490400 -98.4657 -41.3986 -101.238 28.6447 -264.903 -392.23 -5.94544 -237.749 85.5569 PRESSAVG: 3490400 48.989 4.3775 -88.1905 4.37745 -14.8731 -22.0673 -88.1905 -22.0672 9.74443 GPRESSAVG: 3490400 48.0533 5.27881 -88.6053 5.63656 -14.9814 -20.4277 -85.4939 -22.6708 11.0728 TIMING: 3490400 CPU: 11083.3, 0.00311493/step Wall: 11083.3, 0.00311493/step, 1.30619 hours remaining, 233.054688 MB of memory in use. ENERGY: 3490400 3946.8905 20562.2665 14382.2334 230.1942 -203466.0299 2243.2276 0.0000 0.0000 52070.7879 -110030.4296 299.2515 -162101.2175 -109663.7913 298.3485 -119.4747 -92.6039 760998.2909 14.6201 14.7149 PRESSURE: 3490600 -18.6297 -61.1168 -207.702 -61.1165 223.448 -74.1924 -207.702 -74.1924 260.358 GPRESSURE: 3490600 152.105 -114.801 -160.513 -166.005 158.014 -52.6693 -93.2906 -216.801 228.851 PRESSAVG: 3490600 -12.0167 11.2371 24.9783 11.2371 20.3089 -60.4524 24.9783 -60.4524 21.4866 GPRESSAVG: 3490600 -13.2116 10.8755 24.8072 10.011 22.0863 -61.4843 22.7137 -59.8587 20.2633 TIMING: 3490600 CPU: 11083.9, 0.00311667/step Wall: 11083.9, 0.00311667/step, 1.30675 hours remaining, 233.054688 MB of memory in use. ENERGY: 3490600 3926.6917 20320.2918 14553.2719 250.1343 -203506.5415 2636.3596 0.0000 0.0000 51760.8677 -110058.9246 297.4704 -161819.7923 -109691.6328 298.7451 155.0588 179.6567 760443.7834 9.9263 9.7126 PRESSURE: 3490800 575.185 -66.8201 -61.9257 -66.8211 -454.666 -40.8659 -61.9248 -40.8659 238.065 GPRESSURE: 3490800 497.704 -73.3783 -27.3624 -3.2066 -336.062 -102.109 -68.1069 -46.4664 263.342 PRESSAVG: 3490800 7.91833 -9.63854 -8.20079 -9.63857 -21.9063 -24.6584 -8.20076 -24.6585 3.16394 GPRESSAVG: 3490800 7.23535 -7.93809 -8.91052 -11.6286 -23.0059 -24.2852 -4.26039 -26.4288 4.62595 TIMING: 3490800 CPU: 11084.5, 0.00313262/step Wall: 11084.5, 0.00313262/step, 1.31327 hours remaining, 233.054688 MB of memory in use. ENERGY: 3490800 4053.2698 20503.3711 14493.7721 232.9350 -203715.0764 2513.4158 0.0000 0.0000 51914.1532 -110004.1594 298.3514 -161918.3126 -109658.6436 298.3163 119.5277 141.6616 760325.1998 -3.6080 -3.7149 PRESSURE: 3491000 -147.309 -58.4381 -18.9775 -58.4377 -560.186 -137.023 -18.9777 -137.023 119.124 GPRESSURE: 3491000 -185.996 -47.2671 41.5418 -66.7161 -371.482 -92.8541 -92.7663 -192.931 83.5126 PRESSAVG: 3491000 65.1261 10.2474 14.1171 10.2474 -68.8377 -29.9402 14.1171 -29.9401 1.53262 GPRESSAVG: 3491000 64.7348 8.58837 15.011 11.7201 -67.7133 -30.6882 11.9828 -29.2833 0.444459 TIMING: 3491000 CPU: 11085.1, 0.00311135/step Wall: 11085.1, 0.00311135/step, 1.30417 hours remaining, 233.054688 MB of memory in use. ENERGY: 3491000 4010.5159 20393.0617 14513.5045 234.3624 -203105.5938 2098.6104 0.0000 0.0000 51879.4110 -109976.1279 298.1517 -161855.5389 -109628.2369 298.5674 -196.1235 -157.9882 760916.8516 -0.7263 -0.8447 PRESSURE: 3491200 -77.6931 -85.7677 17.5079 -85.7675 -321.108 -65.3749 17.508 -65.3746 48.8304 GPRESSURE: 3491200 29.7652 -60.3712 36.8388 60.8156 -342.071 -87.902 33.7506 -87.2451 46.8426 PRESSAVG: 3491200 -1.58791 0.112903 6.78848 0.112857 -14.5109 -4.61214 6.7885 -4.61213 -8.76563 GPRESSAVG: 3491200 0.558676 -1.94607 6.21909 2.16475 -16.5988 -3.12253 6.59734 -3.7983 -8.78099 TIMING: 3491200 CPU: 11085.8, 0.00313202/step Wall: 11085.8, 0.00313202/step, 1.31267 hours remaining, 233.054688 MB of memory in use. ENERGY: 3491200 3979.8240 20408.2382 14544.8683 271.9423 -203779.0910 2582.9965 0.0000 0.0000 51980.7360 -110010.4856 298.7340 -161991.2216 -109632.6363 298.8888 -116.6569 -88.4877 760368.1385 -8.2882 -8.2737 PRESSURE: 3491400 295.692 21.2965 -14.949 21.2957 -11.7648 10.6936 -14.9493 10.6945 -232.747 GPRESSURE: 3491400 279.166 -114.751 -92.983 -21.1813 51.0857 38.3222 65.3424 -92.4785 -174.493 PRESSAVG: 3491400 -32.3158 40.276 38.8151 40.276 12.4204 -59.5274 38.8151 -59.5274 -15.1889 GPRESSAVG: 3491400 -33.8337 42.7025 40.1821 39.2783 12.7486 -59.1328 39.1722 -57.5029 -13.5892 TIMING: 3491400 CPU: 11086.4, 0.00311766/step Wall: 11086.4, 0.00311766/step, 1.30647 hours remaining, 233.054688 MB of memory in use. ENERGY: 3491400 3944.1959 20592.3350 14474.6888 222.3111 -204111.8607 2883.0706 0.0000 0.0000 52091.9194 -109903.3399 299.3730 -161995.2593 -109546.5184 298.2002 17.0604 51.9195 762344.5073 -11.6948 -11.5581 PRESSURE: 3491600 -94.4725 -114.445 -2.50969 -114.446 99.7565 -8.80957 -2.51039 -8.81072 331.105 GPRESSURE: 3491600 -24.8743 -135.147 -29.7317 103.683 126.939 -25.9691 23.4567 -141.455 317.88 PRESSAVG: 3491600 -53.2194 9.39667 28.4576 9.39661 61.2143 -26.1156 28.4576 -26.1156 2.96671 GPRESSAVG: 3491600 -51.2374 7.60352 26.316 10.5754 60.9717 -27.9238 29.814 -27.1814 1.05337 TIMING: 3491600 CPU: 11087, 0.00311245/step Wall: 11087, 0.00311245/step, 1.30412 hours remaining, 233.054688 MB of memory in use. ENERGY: 3491600 4004.5375 20507.1805 14448.9814 266.0302 -203908.7117 2952.6031 0.0000 0.0000 51878.2236 -109851.1554 298.1449 -161729.3791 -109501.3521 298.4315 112.1296 139.9817 761194.4954 3.6539 3.5959 PRESSURE: 3491800 -29.9744 -48.5691 10.0999 -48.569 -38.9253 -137.066 10.0995 -137.067 -401.297 GPRESSURE: 3491800 32.7741 41.4587 61.0302 -56.4033 -90.3641 -71.5051 102.073 12.8438 -315.005 PRESSAVG: 3491800 -21.9676 14.8422 64.8975 14.8421 18.4646 6.02486 64.8974 6.02492 -6.87685 GPRESSAVG: 3491800 -23.8816 17.0056 65.7138 12.0545 20.0964 7.35923 65.3235 5.54175 -6.6308 TIMING: 3491800 CPU: 11087.6, 0.00311657/step Wall: 11087.6, 0.00311657/step, 1.30567 hours remaining, 233.054688 MB of memory in use. ENERGY: 3491800 4058.6303 20596.3540 14442.3977 261.4800 -203441.6641 2431.1544 0.0000 0.0000 51830.5667 -109821.0809 297.8710 -161651.6476 -109454.3326 298.9499 -156.7323 -124.1984 762078.3962 -3.4599 -3.4720 PRESSURE: 3492000 195.917 228.404 -120.168 228.403 -29.3941 126.337 -120.168 126.337 38.3646 GPRESSURE: 3492000 160.649 195.22 -50.3867 82.4067 50.7762 123.29 -138.643 262.217 84.9645 PRESSAVG: 3492000 10.8042 -12.9619 15.727 -12.9619 -11.5449 4.31026 15.727 4.31026 -30.7605 GPRESSAVG: 3492000 10.9759 -14.0808 15.9901 -11.6177 -12.7849 3.61562 12.2782 7.03797 -29.8876 TIMING: 3492000 CPU: 11088.3, 0.00313936/step Wall: 11088.3, 0.00313936/step, 1.31504 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3492000 3965.8490 20561.1208 14454.0461 221.5448 -203504.2142 2503.1833 0.0000 0.0000 51964.7234 -109833.7469 298.6420 -161798.4702 -109478.6860 298.8998 68.2959 98.7965 762954.0961 -10.5004 -10.5655 PRESSURE: 3492200 -88.4367 348.875 108.64 348.875 -263.311 8.26311 108.641 8.2622 33.6418 GPRESSURE: 3492200 -60.5893 159.284 114.593 418.28 -172.079 -66.5443 162.389 113.706 -5.32175 PRESSAVG: 3492200 -24.7367 73.3677 3.17387 73.3677 -12.2299 -18.5122 3.17382 -18.5123 1.75686 GPRESSAVG: 3492200 -24.7414 73.179 1.52988 74.5072 -12.8198 -16.6603 5.21448 -20.2199 1.34499 TIMING: 3492200 CPU: 11088.9, 0.00311858/step Wall: 11088.9, 0.00311858/step, 1.30617 hours remaining, 233.054688 MB of memory in use. ENERGY: 3492200 3948.3485 20615.8575 14429.9280 237.5367 -203564.5692 2540.4299 0.0000 0.0000 51970.7353 -109821.7333 298.6765 -161792.4686 -109460.4492 298.7364 -106.0353 -79.3300 761339.1125 -11.7366 -12.0721 LDB: ============= START OF LOAD BALANCING ============== 11101.3 LDB: ============== END OF LOAD BALANCING =============== 11101.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11101.3 LDB: ============= START OF LOAD BALANCING ============== 11101.6 LDB: Largest compute 7036 load 0.029602 is 15.1% of average load 0.195663 LDB: Average compute 0.004368 is 2.2% of average load 0.195663 LDB: TIME 11101.6 LOAD: AVG 0.195663 MAX 0.217583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 11101.6 LOAD: AVG 0.195663 MAX 0.217583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: TIME 11101.6 LOAD: AVG 0.195663 MAX 0.217583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: ============== END OF LOAD BALANCING =============== 11101.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11101.6 PRESSURE: 3492400 16.6045 62.7178 -71.6875 62.7173 190.575 -306.088 -71.6879 -306.087 31.1654 GPRESSURE: 3492400 88.8647 -2.18628 -60.296 152.266 197.167 -309.707 -97.1815 -363.105 43.7289 PRESSAVG: 3492400 -22.7278 24.0141 -60.7122 24.0141 -11.0717 -57.5337 -60.7121 -57.5337 1.91188 GPRESSAVG: 3492400 -21.9991 23.1607 -58.4662 25.2546 -10.4538 -58.4674 -62.3358 -55.9665 1.36635 TIMING: 3492400 CPU: 11089.5, 0.00317969/step Wall: 11089.5, 0.00317969/step, 1.33159 hours remaining, 233.101562 MB of memory in use. ENERGY: 3492400 3926.5381 20545.8704 14463.4537 239.3293 -203814.0674 2823.5071 0.0000 0.0000 51943.2506 -109872.1183 298.5186 -161815.3689 -109508.5823 298.4675 79.4484 109.9200 761115.2221 -10.6292 -10.3622 PRESSURE: 3492600 192.427 -75.8385 -161.816 -75.8394 11.2357 250.954 -161.816 250.955 -309.779 GPRESSURE: 3492600 122.014 -150.26 -56.7913 -167.835 81.1298 251.519 -144.467 125.486 -233.743 PRESSAVG: 3492600 6.7958 -6.51482 -27.7371 -6.51474 -7.48018 10.9723 -27.7372 10.9723 -3.3359 GPRESSAVG: 3492600 6.72155 -6.81941 -26.9379 -8.52956 -7.74034 9.61556 -27.3128 10.609 -3.42085 TIMING: 3492600 CPU: 11090.1, 0.00311355/step Wall: 11090.1, 0.00311355/step, 1.30371 hours remaining, 233.304688 MB of memory in use. ENERGY: 3492600 4006.8399 20548.7522 14415.4189 231.5891 -203285.4294 2346.6238 0.0000 0.0000 51935.9650 -109800.2404 298.4767 -161736.2054 -109440.1690 298.3576 -35.3722 -10.1996 762072.2168 -1.3401 -1.4799 PRESSURE: 3492800 -29.2438 33.5934 150.136 33.5941 -361.703 -25.6537 150.135 -25.6531 -191.764 GPRESSURE: 3492800 -17.0104 61.5398 178.43 90.9095 -337.122 74.3223 135.664 43.4265 -130.554 PRESSAVG: 3492800 -24.0452 3.9738 -38.9352 3.9738 -12.4557 -31.2318 -38.9352 -31.2318 -7.37881 GPRESSAVG: 3492800 -25.9369 6.1018 -39.7348 2.8919 -10.8621 -30.7314 -39.3917 -33.8171 -6.98931 TIMING: 3492800 CPU: 11090.8, 0.00312644/step Wall: 11090.8, 0.00312644/step, 1.30894 hours remaining, 233.304688 MB of memory in use. ENERGY: 3492800 4032.7602 20419.9169 14414.9459 238.1645 -203344.9241 2404.8752 0.0000 0.0000 51985.7929 -109848.4686 298.7631 -161834.2615 -109489.2146 298.8775 -194.2369 -161.5619 760938.0316 -14.6266 -14.5961 PRESSURE: 3493000 88.9041 2.07614 27.6016 2.07663 -105.492 118.599 27.601 118.6 -6.50811 GPRESSURE: 3493000 155.736 110.519 -7.88792 -126.75 -35.6203 64.6553 -66.61 168.011 -51.5337 PRESSAVG: 3493000 55.191 36.4413 15.9354 36.4413 -4.24878 -13.7204 15.9355 -13.7203 7.01478 GPRESSAVG: 3493000 56.9229 36.2984 14.2668 36.6641 -5.74735 -12.6895 18.0084 -13.4959 7.02899 TIMING: 3493000 CPU: 11091.4, 0.00310788/step Wall: 11091.4, 0.00310788/step, 1.301 hours remaining, 233.304688 MB of memory in use. ENERGY: 3493000 3958.0213 20421.0782 14524.6328 236.6548 -203296.0166 2344.5340 0.0000 0.0000 52138.2289 -109672.8665 299.6391 -161811.0955 -109303.2133 298.7378 -7.6985 22.8608 758341.5338 19.3190 19.4015 PRESSURE: 3493200 79.3714 -70.4925 -36.7431 -70.4922 -97.9101 144.388 -36.7431 144.388 -69.8096 GPRESSURE: 3493200 108.675 -104.994 0.319051 -194.976 -32.8842 200.935 -80.0829 105.783 -65.6843 PRESSAVG: 3493200 15.5106 21.0614 -5.93292 21.0614 -3.49992 -9.90057 -5.93288 -9.90064 22.092 GPRESSAVG: 3493200 14.9101 20.3724 -3.55211 21.7837 -2.66689 -10.9188 -11.1807 -9.95352 21.6802 TIMING: 3493200 CPU: 11092, 0.00313042/step Wall: 11092, 0.00313042/step, 1.31026 hours remaining, 233.304688 MB of memory in use. ENERGY: 3493200 3956.4460 20457.1060 14501.1643 254.8181 -203174.7626 2551.5944 0.0000 0.0000 51832.7467 -109620.8871 297.8835 -161453.6338 -109257.6886 299.0327 -29.4494 3.3689 759615.5996 11.3676 11.3078 PRESSURE: 3493400 -353.027 -101.433 -128.028 -101.434 -249.265 139.703 -128.029 139.704 -558.572 GPRESSURE: 3493400 -320.435 -110.158 -130.175 -162.683 -227.797 147.798 -180.284 120.627 -543.301 PRESSAVG: 3493400 27.3195 8.57805 -29.3443 8.57806 31.3475 -21.9135 -29.3443 -21.9136 -7.28239 GPRESSAVG: 3493400 27.1011 8.7942 -30.4927 7.252 31.5523 -22.5004 -24.2748 -21.297 -6.78055 TIMING: 3493400 CPU: 11092.6, 0.00311779/step Wall: 11092.6, 0.00311779/step, 1.30479 hours remaining, 233.304688 MB of memory in use. ENERGY: 3493400 4022.8032 20578.9186 14523.3192 252.1874 -202938.9587 2127.7274 0.0000 0.0000 51880.9339 -109553.0691 298.1604 -161434.0030 -109188.0132 298.7961 -386.9548 -363.8445 760921.7782 17.1282 17.2910 PRESSURE: 3493600 -282.752 -79.2461 75.3358 -79.246 -29.3282 179.709 75.3353 179.709 81.9833 GPRESSURE: 3493600 -144.733 -131.283 109.486 -58.0127 -35.9558 104.801 27.1112 181.021 51.972 PRESSAVG: 3493600 22.1461 -2.87389 -33.6238 -2.87391 -16.7484 -27.9262 -33.6238 -27.9262 -3.99043 GPRESSAVG: 3493600 22.9008 -2.00206 -33.3664 -2.8784 -17.6927 -26.619 -35.6397 -28.5167 -3.52904 TIMING: 3493600 CPU: 11093.3, 0.00311632/step Wall: 11093.3, 0.00311632/step, 1.30401 hours remaining, 233.304688 MB of memory in use. ENERGY: 3493600 4016.8128 20384.8638 14501.8324 224.3630 -203223.6168 2541.0635 0.0000 0.0000 52010.4732 -109544.2081 298.9049 -161554.6813 -109187.0437 298.8875 -76.6988 -42.9056 761898.5226 0.4691 0.5597 PRESSURE: 3493800 204.528 192.039 -96.4017 192.039 -159.752 -135.393 -96.4019 -135.393 44.1372 GPRESSURE: 3493800 229.287 74.4593 -61.5012 179.816 -146.351 -122.23 -162.352 -232.018 97.6962 PRESSAVG: 3493800 15.3901 23.8727 27.7319 23.8727 3.28135 9.48229 27.7319 9.48227 7.07671 GPRESSAVG: 3493800 15.9189 22.4457 25.2809 24.9858 3.42662 9.27433 28.9452 9.17246 6.56455 TIMING: 3493800 CPU: 11093.9, 0.00310621/step Wall: 11093.9, 0.00310621/step, 1.2996 hours remaining, 233.304688 MB of memory in use. ENERGY: 3493800 3929.5118 20430.6121 14453.5740 242.6574 -203080.3230 2480.4702 0.0000 0.0000 52174.7979 -109368.6996 299.8493 -161543.4975 -108997.5661 298.8803 29.6376 60.2110 760525.8730 8.5827 8.6367 PRESSURE: 3494000 -65.6012 31.1939 -24.5024 31.1942 143.523 280.627 -24.5036 280.626 -383.237 GPRESSURE: 3494000 -35.523 36.016 1.21954 105.883 169.463 196.697 17.3717 241.984 -345.83 PRESSAVG: 3494000 41.6122 -8.59799 -30.4521 -8.59804 -62.5022 45.0321 -30.4521 45.032 16.0031 GPRESSAVG: 3494000 42.0451 -8.98441 -28.8291 -7.50131 -62.9835 44.6702 -31.6989 44.2689 16.25 TIMING: 3494000 CPU: 11094.5, 0.0031184/step Wall: 11094.5, 0.00311841/step, 1.30453 hours remaining, 233.304688 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: 3494000 3974.7895 20560.4087 14516.3450 243.1940 -203145.7859 2587.0181 0.0000 0.0000 51832.0144 -109432.0161 297.8793 -161264.0305 -109081.1284 298.8841 -101.7718 -70.6301 761621.2406 -1.6290 -1.5628 PRESSURE: 3494200 -217.782 -38.277 204.435 -38.2775 -191.493 106.607 204.436 106.606 209.276 GPRESSURE: 3494200 -161.703 84.3112 257.139 -34.7899 -132.964 68.4902 286.176 113.036 168.934 PRESSAVG: 3494200 4.67665 -18.6184 -41.1196 -18.6184 -8.20548 40.0973 -41.1196 40.0973 -0.789867 GPRESSAVG: 3494200 3.67848 -16.7573 -40.5314 -19.4892 -7.20729 37.5733 -42.9829 41.932 -1.18272 TIMING: 3494200 CPU: 11095.1, 0.00311466/step Wall: 11095.1, 0.00311466/step, 1.30279 hours remaining, 233.304688 MB of memory in use. ENERGY: 3494200 3988.2889 20556.0774 14383.9302 246.0454 -203214.4727 2457.6693 0.0000 0.0000 52301.4846 -109280.9769 300.5774 -161582.4614 -108911.3402 299.1554 -66.6662 -41.9112 760365.1810 -1.4396 -1.5705 PRESSURE: 3494400 -125.272 -69.9633 33.0697 -69.9628 -579.385 -71.7268 33.07 -71.7266 -563.121 GPRESSURE: 3494400 -190.361 -165.01 41.3838 -163.152 -464.906 -24.7829 112.477 -159.685 -512.849 PRESSAVG: 3494400 7.60623 -38.1964 23.5599 -38.1964 -53.7815 -0.785202 23.5599 -0.785193 11.7896 GPRESSAVG: 3494400 7.77395 -39.5403 23.7023 -36.33 -54.3568 2.11827 27.1098 -1.57151 12.297 TIMING: 3494400 CPU: 11095.8, 0.00311786/step Wall: 11095.8, 0.00311786/step, 1.30396 hours remaining, 233.304688 MB of memory in use. ENERGY: 3494400 4000.1401 20458.3439 14466.1574 241.8234 -202836.7340 2188.5569 0.0000 0.0000 52193.9198 -109287.7926 299.9592 -161481.7123 -108924.2716 299.3598 -422.5926 -389.3716 764000.9469 -11.4619 -11.4286 PRESSURE: 3494600 -21.2305 -68.2542 186.622 -68.2541 -229.767 158.053 186.622 158.053 383.01 GPRESSURE: 3494600 72.2196 -6.07571 198.327 -42.7329 -188.6 182.869 210.018 69.6577 365.489 PRESSAVG: 3494600 34.002 -72.5875 41.7938 -72.5876 -79.3114 1.57635 41.7939 1.57638 9.96466 GPRESSAVG: 3494600 33.4931 -71.8381 40.6397 -72.6132 -78.0655 2.12059 42.3354 1.54907 9.34144 TIMING: 3494600 CPU: 11096.4, 0.00310528/step Wall: 11096.4, 0.00310528/step, 1.29852 hours remaining, 233.304688 MB of memory in use. ENERGY: 3494600 4004.4635 20557.3701 14511.9009 250.3334 -203041.8601 2456.6705 0.0000 0.0000 51823.6636 -109437.4581 297.8313 -161261.1218 -109092.3615 298.9443 44.0039 83.0362 761644.8239 -11.7816 -11.7436 PRESSURE: 3494800 -95.0356 50.4725 -121.676 50.4736 8.49617 93.6166 -121.676 93.6158 -66.8484 GPRESSURE: 3494800 -70.4731 71.4365 -56.6799 91.9469 38.8502 152.058 -82.7115 118.649 -30.9056 PRESSAVG: 3494800 67.6875 -21.1856 -23.0641 -21.1856 -53.8445 -3.85403 -23.0642 -3.85409 -3.6276 GPRESSAVG: 3494800 68.6677 -22.5739 -22.4491 -22.6979 -55.1337 -4.69422 -23.2195 -4.53693 -3.43792 TIMING: 3494800 CPU: 11097, 0.00312154/step Wall: 11097, 0.00312153/step, 1.30515 hours remaining, 233.304688 MB of memory in use. ENERGY: 3494800 4070.3534 20509.2144 14442.5022 232.1269 -202757.5391 2126.8503 0.0000 0.0000 52152.1352 -109224.3567 299.7190 -161376.4919 -108860.5459 299.2658 -51.1293 -20.8429 760515.1720 3.4051 3.3653 PRESSURE: 3495000 26.5326 -19.7053 -176.399 -19.7048 171.563 -10.8119 -176.399 -10.8134 150.751 GPRESSURE: 3495000 86.0506 24.8741 -98.9743 -47.9584 239.879 28.6582 -173.479 -21.2092 98.5169 PRESSAVG: 3495000 -18.1551 -22.1318 8.88057 -22.1317 5.4762 -12.9737 8.88053 -12.9737 -19.2516 GPRESSAVG: 3495000 -18.2188 -22.9605 6.93073 -22.7252 4.49491 -12.2133 7.49912 -13.3229 -18.9984 TIMING: 3495000 CPU: 11097.6, 0.00310802/step Wall: 11097.6, 0.00310802/step, 1.29932 hours remaining, 233.304688 MB of memory in use. ENERGY: 3495000 4003.7075 20485.5864 14497.9565 244.5943 -203006.4115 2690.9401 0.0000 0.0000 52058.8501 -109024.7767 299.1829 -161083.6268 -108665.9924 299.8284 116.2823 141.4821 761441.2305 -10.6435 -10.9074 PRESSURE: 3495200 78.9582 -94.1764 -22.0348 -94.1769 -65.2609 100.819 -22.0347 100.819 -50.1608 GPRESSURE: 3495200 39.0314 -67.3512 2.3746 -192.988 -5.92425 42.0213 0.202186 -10.3092 3.84403 PRESSAVG: 3495200 32.0535 -36.6135 61.8818 -36.6135 -73.4299 -40.7529 61.8818 -40.7529 17.6809 GPRESSAVG: 3495200 31.9007 -35.2135 63.4086 -37.6791 -72.6009 -41.4293 61.2082 -40.5674 17.2126 TIMING: 3495200 CPU: 11098.2, 0.00310732/step Wall: 11098.2, 0.00310732/step, 1.29886 hours remaining, 233.304688 MB of memory in use. ENERGY: 3495200 4001.8613 20585.0281 14463.2588 251.9617 -203024.1456 2457.2850 0.0000 0.0000 51995.0609 -109269.6897 298.8163 -161264.7506 -108911.5650 299.9701 -12.1545 12.3171 761013.7447 -7.8985 -7.8292 PRESSURE: 3495400 -49.8274 64.9134 -99.0755 64.9133 67.0555 100.826 -99.0758 100.826 96.599 GPRESSURE: 3495400 -10.7207 54.1788 -116.773 105.453 96.7889 143.857 -87.8495 164.986 117.783 PRESSAVG: 3495400 51.6615 -45.0642 -5.47339 -45.0642 -37.6385 -5.1365 -5.47345 -5.13656 -8.56866 GPRESSAVG: 3495400 50.9633 -44.835 -6.08583 -44.3326 -36.8814 -6.70778 -5.56815 -3.10137 -8.95004 TIMING: 3495400 CPU: 11098.9, 0.00311789/step Wall: 11098.9, 0.00311789/step, 1.3031 hours remaining, 233.304688 MB of memory in use. ENERGY: 3495400 4046.8802 20742.6734 14419.2063 248.7308 -203178.0729 2519.0609 0.0000 0.0000 51869.6509 -109331.8703 298.0956 -161201.5213 -108974.0041 299.8060 37.9424 67.9503 759891.5723 1.8181 1.7106 PRESSURE: 3495600 -7.5644 -126.014 -161.483 -126.014 -44.1976 177.391 -161.484 177.392 152.383 GPRESSURE: 3495600 -67.0896 24.1331 -158.687 -171.566 84.964 113.751 -250.561 131.394 187.6 PRESSAVG: 3495600 14.5554 -52.8623 7.05792 -52.8623 -20.8548 -2.1406 7.05787 -2.14065 -26.1792 GPRESSAVG: 3495600 14.5113 -54.5716 8.07587 -52.1582 -19.8464 -4.0186 7.1517 -2.4173 -26.5108 TIMING: 3495600 CPU: 11099.5, 0.00311125/step Wall: 11099.5, 0.00311125/step, 1.30016 hours remaining, 233.304688 MB of memory in use. ENERGY: 3495600 3997.9702 20366.1958 14477.9946 263.7337 -203201.8279 2477.5360 0.0000 0.0000 52164.5627 -109453.8348 299.7905 -161618.3975 -109079.3907 299.1992 33.5402 68.4916 759599.9432 -10.8262 -10.6153 PRESSURE: 3495800 -454.969 75.4048 25.0176 75.4046 -352.158 -88.6054 25.0173 -88.6042 216.536 GPRESSURE: 3495800 -321.895 -35.7059 19.6461 -23.7432 -320.157 -47.2024 46.4914 -46.0354 146.106 PRESSAVG: 3495800 32.9733 -71.3233 -5.99198 -71.3234 21.964 11.3163 -5.99208 11.3163 -3.32864 GPRESSAVG: 3495800 33.7074 -71.2616 -6.70473 -71.7462 20.22 13.5076 -6.93775 10.3786 -2.10492 TIMING: 3495800 CPU: 11100.1, 0.00311701/step Wall: 11100.1, 0.00311701/step, 1.30239 hours remaining, 233.304688 MB of memory in use. ENERGY: 3495800 3923.6405 20417.7062 14494.7029 221.3335 -202501.5236 2126.7060 0.0000 0.0000 51957.5430 -109359.8915 298.6007 -161317.4345 -108992.0226 299.0898 -196.8638 -165.3154 761808.0808 17.2029 17.2742 PRESSURE: 3496000 117.749 -246.494 107.944 -246.494 35.9608 -28.4763 107.943 -28.4774 255.396 GPRESSURE: 3496000 164.431 -148.417 78.9921 -228.603 80.0553 -85.0855 217.447 -5.63549 226.411 PRESSAVG: 3496000 37.651 -38.9497 37.9847 -38.9497 -31.3405 -28.9772 37.9848 -28.9771 -1.67629 GPRESSAVG: 3496000 36.7115 -38.8666 37.8938 -37.5034 -30.2031 -28.023 39.5704 -27.7663 -2.46149 TIMING: 3496000 CPU: 11100.7, 0.00312645/step Wall: 11100.7, 0.00312645/step, 1.30616 hours remaining, 233.304688 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: 3496000 3984.6748 20543.0369 14481.2914 240.7985 -203484.3243 2710.1233 0.0000 0.0000 52172.2786 -109352.1207 299.8348 -161524.3994 -108998.7014 299.2346 136.3688 156.9658 761395.8766 1.5447 1.3490 PRESSURE: 3496200 -131.536 -42.2251 -77.1846 -42.2253 10.283 96.9022 -77.186 96.9027 197.07 GPRESSURE: 3496200 -108.225 -59.7195 -97.7498 -6.79421 30.7908 126.019 -16.3727 -25.2088 264.011 PRESSAVG: 3496200 -5.76973 26.9494 23.4132 26.9494 -12.0651 -13.5184 23.4132 -13.5184 -10.1393 GPRESSAVG: 3496200 -5.48186 27.4528 22.7583 26.552 -12.7949 -13.7123 21.6497 -14.1219 -9.64645 TIMING: 3496200 CPU: 11101.4, 0.0031191/step Wall: 11101.4, 0.0031191/step, 1.30292 hours remaining, 233.304688 MB of memory in use. ENERGY: 3496200 4010.7751 20544.0861 14545.5575 226.2633 -203500.5715 2505.5809 0.0000 0.0000 52240.1414 -109428.1672 300.2248 -161668.3086 -109058.2448 299.2070 25.2721 62.1923 761147.3228 -9.3247 -9.3077 LDB: ============= START OF LOAD BALANCING ============== 11113.8 LDB: ============== END OF LOAD BALANCING =============== 11113.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11113.8 LDB: ============= START OF LOAD BALANCING ============== 11114.1 LDB: Largest compute 7058 load 0.031815 is 16.3% of average load 0.195534 LDB: Average compute 0.004372 is 2.2% of average load 0.195534 LDB: TIME 11114.1 LOAD: AVG 0.195534 MAX 0.215828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 11114.1 LOAD: AVG 0.195534 MAX 0.215828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: TIME 11114.1 LOAD: AVG 0.195534 MAX 0.215828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: ============== END OF LOAD BALANCING =============== 11114.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11114.1 PRESSURE: 3496400 -208.706 -136.915 -80.8802 -136.915 79.4758 34.1631 -80.8805 34.1622 -70.7118 GPRESSURE: 3496400 -227.457 -10.4794 -74.843 -106.78 175.286 88.9357 -90.3526 57.3223 -76.2703 PRESSAVG: 3496400 33.4245 11.4364 26.3324 11.4364 -13.371 -0.871223 26.3325 -0.871337 -17.008 GPRESSAVG: 3496400 35.782 12.3814 25.8588 12.0574 -13.9687 -0.640756 26.8509 -1.74373 -18.8599 TIMING: 3496400 CPU: 11102, 0.00318637/step Wall: 11102, 0.00318637/step, 1.33084 hours remaining, 235.464844 MB of memory in use. ENERGY: 3496400 4022.1765 20612.5457 14435.6423 254.6079 -203619.0341 2659.9404 0.0000 0.0000 52063.7842 -109570.3370 299.2113 -161634.1212 -109204.7338 299.1009 -66.6474 -42.8140 762655.1571 1.0152 0.9845 PRESSURE: 3496600 314.099 116.863 221.583 116.864 56.3188 -128.716 221.583 -128.717 -26.6184 GPRESSURE: 3496600 261.594 95.3694 231.456 119.01 81.0451 -153.726 259.514 -29.9225 89.152 PRESSAVG: 3496600 35.6908 -11.8301 59.3783 -11.8301 -39.2475 4.09448 59.3783 4.09448 -15.0349 GPRESSAVG: 3496600 33.8464 -12.0888 60.8671 -13.4875 -39.0059 3.45296 58.5001 5.83863 -14.0356 TIMING: 3496600 CPU: 11102.6, 0.00311628/step Wall: 11102.6, 0.00311628/step, 1.30139 hours remaining, 235.464844 MB of memory in use. ENERGY: 3496600 4039.1588 20476.6782 14472.5105 271.3638 -203407.4041 2627.8009 0.0000 0.0000 52008.9352 -109510.9567 298.8961 -161519.8919 -109145.4324 299.3672 114.5996 143.9302 762059.2727 -6.1972 -6.3983 PRESSURE: 3496800 302.502 -153.3 -142.655 -153.299 -220.519 14.4217 -142.655 14.4221 96.106 GPRESSURE: 3496800 313.541 -244.482 -155.76 -181.276 -150.355 47.2263 -112.785 47.4858 110.633 PRESSAVG: 3496800 100.488 -46.3515 57.3595 -46.3515 -60.298 16.3155 57.3595 16.3155 -2.63619 GPRESSAVG: 3496800 100.215 -46.1276 56.9979 -47.5525 -59.596 18.8456 59.054 15.5361 -2.85762 TIMING: 3496800 CPU: 11103.3, 0.00313503/step Wall: 11103.3, 0.00313503/step, 1.30905 hours remaining, 235.464844 MB of memory in use. ENERGY: 3496800 4013.0921 20340.4814 14407.3758 235.8508 -203279.8247 2602.4313 0.0000 0.0000 52509.9545 -109170.6387 301.7754 -161680.5932 -108801.5326 299.7369 59.3631 91.2731 762498.9888 12.5179 12.5871 PRESSURE: 3497000 -91.7976 -332.671 -35.6499 -332.67 448.939 -132.927 -35.6501 -132.926 537.943 GPRESSURE: 3497000 28.9382 -328.412 -120.91 -294.693 384.363 -13.0581 40.8571 -210.724 564.275 PRESSAVG: 3497000 23.2453 -2.14025 2.74086 -2.14024 -28.0141 9.44579 2.74086 9.4458 0.565932 GPRESSAVG: 3497000 24.6972 -1.03737 1.96571 -2.23134 -29.3031 8.34209 1.90395 9.1329 0.572387 TIMING: 3497000 CPU: 11103.9, 0.00313813/step Wall: 11103.9, 0.00313813/step, 1.31017 hours remaining, 235.464844 MB of memory in use. ENERGY: 3497000 3901.7434 20599.9311 14465.1616 254.5832 -203248.6653 2701.9620 0.0000 0.0000 52359.7561 -108965.5278 300.9122 -161325.2839 -108608.2492 300.0382 298.3612 325.8585 761850.0661 -1.4010 -1.3445 PRESSURE: 3497200 -211.711 -65.6721 155.062 -65.6719 -27.9428 182.563 155.062 182.563 -294.954 GPRESSURE: 3497200 -287.39 -61.8158 136.116 -37.5389 -18.6285 178.397 131.084 214.97 -140.795 PRESSAVG: 3497200 0.0400302 -24.5012 69.0621 -24.5013 -19.8149 7.0847 69.0621 7.08468 -6.49489 GPRESSAVG: 3497200 -2.86609 -26.7774 70.4215 -22.0793 -18.647 8.19744 69.1304 7.93105 -4.71607 TIMING: 3497200 CPU: 11104.5, 0.00311968/step Wall: 11104.5, 0.00311968/step, 1.30229 hours remaining, 235.464844 MB of memory in use. ENERGY: 3497200 3945.6262 20684.1235 14448.7397 233.6830 -202787.4573 2235.0700 0.0000 0.0000 52145.6509 -109094.5640 299.6818 -161240.2149 -108734.3841 300.0514 -178.2027 -148.9378 762053.2967 -8.7566 -8.7431 PRESSURE: 3497400 -81.7253 -77.8214 67.9596 -77.8225 -332.468 -110.271 67.9592 -110.27 -162.956 GPRESSURE: 3497400 -85.9167 -13.1892 54.0887 -43.6984 -291.593 -176.501 68.0743 64.1756 -116.863 PRESSAVG: 3497400 78.2647 -31.541 -47.1594 -31.541 -32.722 5.88646 -47.1593 5.88647 -15.4213 GPRESSAVG: 3497400 80.5439 -29.6595 -47.9244 -32.3871 -33.5554 3.60877 -50.2968 6.30099 -16.3709 TIMING: 3497400 CPU: 11105.1, 0.00311829/step Wall: 11105.1, 0.00311829/step, 1.30154 hours remaining, 235.464844 MB of memory in use. ENERGY: 3497400 3928.3604 20666.1350 14396.4144 250.2977 -202988.3415 2285.0147 0.0000 0.0000 52451.9527 -109010.1667 301.4421 -161462.1194 -108644.1593 300.1081 -192.3829 -164.7909 762486.0688 10.0404 10.2059 PRESSURE: 3497600 -15.1033 -316.514 -28.2234 -316.514 -143.045 -231.552 -28.2238 -231.553 2.18806 GPRESSURE: 3497600 -36.1987 -271.498 -24.3584 -397.241 -75.8984 -276.23 107.603 -118.293 61.0732 PRESSAVG: 3497600 25.9924 -36.2724 54.4469 -36.2724 -67.2579 78.1718 54.4469 78.1719 7.74724 GPRESSAVG: 3497600 24.53 -36.7559 52.899 -34.061 -65.722 76.6347 58.4284 78.6635 8.10038 TIMING: 3497600 CPU: 11105.8, 0.00311812/step Wall: 11105.8, 0.00311812/step, 1.3013 hours remaining, 235.464844 MB of memory in use. ENERGY: 3497600 3975.8168 20590.5722 14448.1109 258.4627 -203201.9333 2511.7810 0.0000 0.0000 52208.7372 -109208.4526 300.0443 -161417.1897 -108843.1584 300.2001 -51.9866 -17.0080 759768.0634 -11.1727 -11.0305 PRESSURE: 3497800 150.16 65.5654 89.3435 65.5654 184.11 -9.07478 89.3434 -9.07484 -239.491 GPRESSURE: 3497800 187.627 -30.8493 88.7681 82.7973 191.681 -31.5605 -35.9604 20.2111 -211.426 PRESSAVG: 3497800 19.6558 -25.8972 57.3104 -25.8971 -25.6011 -10.1721 57.3104 -10.1721 -2.30821 GPRESSAVG: 3497800 19.8687 -26.7232 56.3745 -27.27 -27.1193 -9.04499 56.112 -9.03017 -1.95458 TIMING: 3497800 CPU: 11106.4, 0.00311784/step Wall: 11106.4, 0.00311784/step, 1.301 hours remaining, 235.464844 MB of memory in use. ENERGY: 3497800 3935.0097 20479.4659 14464.9708 240.7017 -203388.6802 2637.4827 0.0000 0.0000 52469.1846 -109161.8647 301.5411 -161631.0493 -108792.7898 300.1855 31.5928 55.9608 761108.1327 -2.7512 -3.0684 PRESSURE: 3498000 66.4803 -43.2295 122.069 -43.2296 27.675 48.0929 122.07 48.0954 -58.3736 GPRESSURE: 3498000 113.581 69.6237 245.294 -55.7537 70.6075 50.9573 112.628 -65.0423 -63.1342 PRESSAVG: 3498000 -42.0806 -14.7731 54.8683 -14.7732 75.6616 23.6916 54.8683 23.6915 -16.4808 GPRESSAVG: 3498000 -41.9852 -12.9894 56.334 -15.2863 76.0304 24.3675 54.8067 22.1884 -16.9796 TIMING: 3498000 CPU: 11107, 0.0031136/step Wall: 11107, 0.0031136/step, 1.29906 hours remaining, 235.464844 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: 3498000 4037.1221 20489.4377 14426.8965 249.2351 -203273.0102 2443.3882 0.0000 0.0000 52402.4695 -109224.4611 301.1577 -161626.9306 -108861.7898 299.9783 11.9273 40.3514 760092.1334 5.7001 5.6885 PRESSURE: 3498200 222.32 -121.488 227.195 -121.489 21.583 69.16 227.194 69.1612 -484.722 GPRESSURE: 3498200 235.408 -148.119 210.799 -183.287 37.0161 98.3082 157.125 -50.6205 -423.966 PRESSAVG: 3498200 22.7349 -35.4622 103.088 -35.4622 -21.9327 16.6155 103.088 16.6156 -18.5302 GPRESSAVG: 3498200 22.8802 -37.8734 102.934 -37.5913 -22.7442 17.6473 101.971 12.6408 -18.1042 TIMING: 3498200 CPU: 11107.6, 0.00313833/step Wall: 11107.6, 0.00313833/step, 1.30921 hours remaining, 235.464844 MB of memory in use. ENERGY: 3498200 4030.8507 20663.2571 14505.2558 256.3359 -203476.8011 2691.1209 0.0000 0.0000 51984.9019 -109345.0790 298.7579 -161329.9809 -108985.2497 299.7989 -80.2731 -50.5140 761311.9973 -5.9093 -5.9894 PRESSURE: 3498400 16.2714 -8.8254 131.696 -8.82529 -206.873 -83.179 131.696 -83.1786 177.172 GPRESSURE: 3498400 10.7623 53.536 215.456 -5.08459 -133.402 -92.6636 50.5502 24.1771 196.875 PRESSAVG: 3498400 59.9892 19.095 26.8856 19.095 -70.7445 61.7661 26.8856 61.766 1.50898 GPRESSAVG: 3498400 60.138 17.9351 26.5149 22.8063 -70.7545 61.7964 27.7898 63.6689 1.25122 TIMING: 3498400 CPU: 11108.2, 0.00310935/step Wall: 11108.2, 0.00310935/step, 1.29694 hours remaining, 235.464844 MB of memory in use. ENERGY: 3498400 3953.4152 20646.9601 14389.6756 236.1504 -203475.3810 2688.7852 0.0000 0.0000 52109.6433 -109450.7511 299.4748 -161560.3944 -109083.8846 299.3886 -4.4765 24.7450 761073.8331 -3.0821 -3.1218 PRESSURE: 3498600 -113.678 -131.333 111.858 -131.334 135.149 126.527 111.857 126.527 -69.0317 GPRESSURE: 3498600 74.7203 -155.792 126.065 -149.82 134.761 89.0704 42.113 179.194 -167.776 PRESSAVG: 3498600 -30.8995 48.8822 32.714 48.8822 48.9282 21.6671 32.714 21.6672 5.32525 GPRESSAVG: 3498600 -29.5207 51.9619 32.0575 46.4014 49.0247 21.8036 32.7764 21.1173 3.87253 TIMING: 3498600 CPU: 11108.9, 0.00312479/step Wall: 11108.9, 0.00312479/step, 1.30321 hours remaining, 235.464844 MB of memory in use. ENERGY: 3498600 4043.7538 20598.4985 14442.8230 243.1624 -202737.6586 2117.2570 0.0000 0.0000 52046.6382 -109245.5257 299.1127 -161292.1640 -108886.8807 299.8256 -15.8534 13.9016 761816.6336 7.7847 7.7922 PRESSURE: 3498800 -374.192 103.134 -33.0605 103.135 -13.9377 -92.3267 -33.0605 -92.3268 -59.5707 GPRESSURE: 3498800 -277.142 129.971 -10.2895 37.0579 -29.9977 -193.649 -141.366 -62.3261 -24.9624 PRESSAVG: 3498800 7.57361 27.2464 65.2414 27.2464 -6.52464 55.8558 65.2414 55.8557 -0.721984 GPRESSAVG: 3498800 5.54206 25.3718 66.4095 28.0342 -6.84298 54.1034 65.7688 58.5606 1.26277 TIMING: 3498800 CPU: 11109.5, 0.00313309/step Wall: 11109.5, 0.00313309/step, 1.3065 hours remaining, 235.464844 MB of memory in use. ENERGY: 3498800 4036.3558 20599.4791 14424.5732 243.8010 -203420.5781 2606.4049 0.0000 0.0000 52223.6248 -109286.3393 300.1299 -161509.9641 -108928.9301 300.0917 -149.2334 -110.7008 760778.9733 0.1090 -0.0127 PRESSURE: 3499000 -63.6246 81.0162 52.2864 81.0164 -80.7371 53.6708 52.2867 53.6713 -209.008 GPRESSURE: 3499000 -34.5551 187.6 171.356 -2.42667 -121.078 113.267 105.487 98.1732 -114.224 PRESSAVG: 3499000 8.89201 -6.75084 19.6735 -6.75081 -6.62394 47.4348 19.6735 47.4348 -0.0926349 GPRESSAVG: 3499000 9.91081 -5.52227 20.3788 -8.11285 -6.86413 48.0495 16.6531 45.5604 -0.709958 TIMING: 3499000 CPU: 11110.1, 0.00311527/step Wall: 11110.1, 0.00311527/step, 1.29889 hours remaining, 235.464844 MB of memory in use. ENERGY: 3499000 3967.2127 20504.5478 14448.8401 258.3695 -203533.2209 2539.7063 0.0000 0.0000 52124.9104 -109689.6341 299.5626 -161814.5445 -109328.9785 299.6517 -117.7899 -89.9527 759948.8869 0.7251 0.7789 PRESSURE: 3499200 -91.4217 -159.196 56.5256 -159.197 -307.028 272.816 56.5257 272.815 -440.073 GPRESSURE: 3499200 -118.126 -203.052 14.8735 -15.9039 -136.897 184.35 67.4258 195.376 -494.243 PRESSAVG: 3499200 -24.5733 -11.1808 40.1877 -11.1807 -0.328172 24.7511 40.1877 24.7512 -9.92956 GPRESSAVG: 3499200 -25.9934 -12.7446 41.0678 -9.5775 1.66274 23.3691 42.1275 26.7804 -10.4541 TIMING: 3499200 CPU: 11110.7, 0.00311686/step Wall: 11110.7, 0.00311686/step, 1.29938 hours remaining, 235.464844 MB of memory in use. ENERGY: 3499200 3970.2447 20682.9679 14468.8203 260.7461 -203272.7944 2379.5758 0.0000 0.0000 51890.5389 -109619.9006 298.2156 -161510.4395 -109260.8462 299.1459 -279.5076 -249.7553 761536.7141 -11.6103 -11.5949 PRESSURE: 3499400 183.149 41.5578 -94.3997 41.557 218.941 393.85 -94.4005 393.85 111.233 GPRESSURE: 3499400 189.631 -1.49277 -169.532 -45.3411 196.625 344.592 -57.3702 160.51 188.119 PRESSAVG: 3499400 -0.562687 24.8918 -31.7134 24.8918 -19.0164 22.1722 -31.7134 22.1722 -10.4073 GPRESSAVG: 3499400 -1.16915 27.7661 -32.7904 22.8158 -20.2523 22.9061 -33.1047 19.087 -8.86529 TIMING: 3499400 CPU: 11111.4, 0.00310996/step Wall: 11111.4, 0.00310996/step, 1.29634 hours remaining, 235.464844 MB of memory in use. ENERGY: 3499400 4027.4879 20515.2900 14518.9266 256.0183 -203625.5427 2557.3507 0.0000 0.0000 52077.5314 -109672.9378 299.2903 -161750.4692 -109306.5947 299.3329 171.1074 191.4585 758675.9255 -9.9954 -10.0956 PRESSURE: 3499600 281.597 46.9723 -86.6334 46.9722 301.351 -26.8654 -86.633 -26.8645 139.012 GPRESSURE: 3499600 350.911 -40.267 8.79804 27.5766 321.81 -19.1477 -123.592 46.1211 121.039 PRESSAVG: 3499600 -18.9711 -1.09615 -5.94605 -1.09616 23.8552 -28.1086 -5.94602 -28.1086 2.65388 GPRESSAVG: 3499600 -18.1623 -2.70403 -5.21103 -0.0974047 23.5134 -27.6093 -5.28215 -24.9949 2.08719 TIMING: 3499600 CPU: 11112, 0.00312035/step Wall: 11112, 0.00312035/step, 1.30049 hours remaining, 235.464844 MB of memory in use. ENERGY: 3499600 3935.8388 20599.4536 14500.6472 230.3772 -203542.0011 2704.4105 0.0000 0.0000 51989.3673 -109581.9065 298.7836 -161571.2738 -109224.9555 299.2675 240.6533 264.5866 758237.8298 2.5126 2.4795 PRESSURE: 3499800 -8.77489 26.2372 -49.7256 26.2366 -286.37 -67.8833 -49.7251 -67.8823 -252.783 GPRESSURE: 3499800 2.49731 -70.7281 17.8985 17.6612 -310.979 -149.335 -60.8625 47.9327 -160.282 PRESSAVG: 3499800 64.3819 -27.7904 10.9483 -27.7903 -79.5663 27.069 10.9482 27.069 -2.76967 GPRESSAVG: 3499800 65.8382 -29.9367 10.1771 -26.2951 -80.4108 28.176 9.60396 25.7219 -2.91062 TIMING: 3499800 CPU: 11112.6, 0.00312817/step Wall: 11112.6, 0.00312817/step, 1.30358 hours remaining, 235.464844 MB of memory in use. ENERGY: 3499800 3944.3191 20571.2340 14414.8923 248.0973 -203051.4393 2314.2004 0.0000 0.0000 51853.4798 -109705.2166 298.0027 -161558.6963 -109341.4267 299.1192 -182.6426 -156.2543 760931.9092 -5.9847 -5.8277 WRITING COORDINATES TO DCD FILE MD.4.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: 3500000 157.605 124.494 -28.9607 124.495 -257.455 -48.1095 -28.9608 -48.1091 -441.18 GPRESSURE: 3500000 87.8286 213.09 -119.426 59.9514 -152.052 -84.2162 -87.7816 -188.477 -410.071 PRESSAVG: 3500000 12.1808 32.2723 19.1324 32.2723 -20.2977 -69.1219 19.1323 -69.122 3.46158 GPRESSAVG: 3500000 10.9043 36.0354 17.6383 32.0253 -18.7479 -69.1724 20.9103 -68.261 3.53916 TIMING: 3500000 CPU: 11113.3, 0.00323082/step Wall: 11113.3, 0.00323081/step, 1.34617 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3500000 4032.2234 20495.5526 14449.3837 239.6689 -203155.8356 2329.5818 0.0000 0.0000 51758.3512 -109851.0739 297.4560 -161609.4251 -109490.8260 298.4395 -180.3431 -158.0978 760618.7201 -1.5518 -1.4348 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 PRESSURE: 3500200 -90.8084 80.0496 58.6688 80.05 -270.378 77.7149 58.6683 77.7143 -326.078 GPRESSURE: 3500200 -29.2595 30.8788 134.209 -18.5745 -188.142 55.3301 5.15584 11.4696 -381.807 PRESSAVG: 3500200 27.8117 26.7786 -12.4093 26.7787 11.7397 -39.3546 -12.4092 -39.3547 -8.74304 GPRESSAVG: 3500200 28.4653 26.2632 -11.3674 23.4965 10.5055 -40.4088 -12.0698 -39.9464 -8.85841 TIMING: 3500200 CPU: 11113.9, 0.00312552/step Wall: 11113.9, 0.00312552/step, 1.30213 hours remaining, 235.589844 MB of memory in use. ENERGY: 3500200 3924.1032 20639.0660 14385.2599 257.3567 -203340.1770 2320.0376 0.0000 0.0000 52189.0669 -109625.2867 299.9313 -161814.3536 -109264.6955 298.7582 -229.0881 -199.7364 759581.1029 10.2694 10.0375 LDB: ============= START OF LOAD BALANCING ============== 11126.3 LDB: ============== END OF LOAD BALANCING =============== 11126.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11126.3 LDB: ============= START OF LOAD BALANCING ============== 11126.6 LDB: Largest compute 7078 load 0.030874 is 15.8% of average load 0.195545 LDB: Average compute 0.004375 is 2.2% of average load 0.195545 LDB: TIME 11126.6 LOAD: AVG 0.195545 MAX 0.214924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.137 MB LDB: TIME 11126.6 LOAD: AVG 0.195545 MAX 0.214924 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: TIME 11126.6 LOAD: AVG 0.195545 MAX 0.214924 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: ============== END OF LOAD BALANCING =============== 11126.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11126.6 PRESSURE: 3500400 166.711 -221.461 71.1902 -221.461 -16.0282 -165.614 71.1908 -165.615 104.039 GPRESSURE: 3500400 232.931 -192.086 83.6987 -267.1 13.0035 -147.465 51.185 -128.914 93.3317 PRESSAVG: 3500400 54.4876 7.76821 22.4293 7.76822 -34.9113 4.26868 22.4293 4.26864 17.148 GPRESSAVG: 3500400 54.4088 7.50173 23.0901 10.7053 -34.2529 2.78173 21.8329 2.54371 16.9837 TIMING: 3500400 CPU: 11114.5, 0.00319051/step Wall: 11114.5, 0.00319051/step, 1.32903 hours remaining, 232.457031 MB of memory in use. ENERGY: 3500400 3937.7207 20583.0861 14437.5100 272.3991 -203794.3565 2836.6768 0.0000 0.0000 52245.0846 -109481.8791 300.2532 -161726.9638 -109115.9242 299.7055 84.9073 113.0886 760105.5481 12.2415 12.3798 PRESSURE: 3500600 240.391 -61.5977 -121.91 -61.5978 -124.261 -90.613 -121.91 -90.6129 497.234 GPRESSURE: 3500600 252.328 -123.25 -109.861 20.7785 -18.4635 -90.8117 -186.05 -53.0383 447.647 PRESSAVG: 3500600 68.0159 22.3556 -6.07718 22.3556 -8.77546 15.7776 -6.0772 15.7777 -12.8818 GPRESSAVG: 3500600 68.385 22.1721 -6.80373 23.8916 -9.45587 15.8259 -6.69492 17.2764 -12.6146 TIMING: 3500600 CPU: 11115.2, 0.00312335/step Wall: 11115.2, 0.00312335/step, 1.30088 hours remaining, 233.054688 MB of memory in use. ENERGY: 3500600 3967.8114 20453.6230 14483.3266 243.3993 -203406.8621 2591.7520 0.0000 0.0000 52292.0865 -109374.8635 300.5233 -161666.9500 -109005.2291 299.6261 204.4549 227.1705 762090.2693 15.4529 15.4382 PRESSURE: 3500800 -36.0582 19.6221 133.097 19.6218 -268.776 127.384 133.097 127.383 549.586 GPRESSURE: 3500800 29.9231 6.33352 93.469 30.6098 -260.953 95.6395 86.1419 86.0194 563.768 PRESSAVG: 3500800 37.6521 37.9838 19.6061 37.9838 -56.4068 22.4271 19.6061 22.427 -12.9775 GPRESSAVG: 3500800 37.0233 34.797 18.5355 38.8758 -56.3087 23.7562 18.1633 23.3316 -11.6063 TIMING: 3500800 CPU: 11115.8, 0.00311303/step Wall: 11115.8, 0.00311303/step, 1.2964 hours remaining, 233.054688 MB of memory in use. ENERGY: 3500800 3941.7351 20561.7574 14468.5375 229.1501 -203530.1771 2507.0313 0.0000 0.0000 52155.9403 -109666.0255 299.7409 -161821.9658 -109295.0233 298.8158 81.5840 110.9125 761803.0255 -10.5774 -10.2972 PRESSURE: 3501000 -40.2037 -0.0203083 48.7027 -0.0206441 96.6018 140.239 48.7035 140.241 295.232 GPRESSURE: 3501000 -87.7824 -81.7759 -29.7731 -22.069 191.562 122.375 104.547 178.976 340.391 PRESSAVG: 3501000 19.1084 -23.7486 46.4763 -23.7486 -5.46377 24.4332 46.4763 24.4332 14.0627 GPRESSAVG: 3501000 17.6624 -23.9438 47.4877 -24.9834 -4.37053 24.3465 46.8662 25.4419 14.784 TIMING: 3501000 CPU: 11116.4, 0.00309947/step Wall: 11116.4, 0.00309947/step, 1.29059 hours remaining, 233.054688 MB of memory in use. ENERGY: 3501000 3897.9476 20489.0342 14422.3887 240.2980 -203171.9663 2397.2420 0.0000 0.0000 52089.9476 -109635.1083 299.3616 -161725.0559 -109260.2076 299.1093 117.2099 148.0568 762041.5609 9.2358 9.3586 PRESSURE: 3501200 -38.2621 -18.7612 -122.262 -18.7612 -325.968 59.5686 -122.262 59.5676 -108.317 GPRESSURE: 3501200 -110.158 5.45266 -153.57 40.8306 -205.146 16.6716 -95.1933 28.4558 -66.0811 PRESSAVG: 3501200 -27.0341 16.6206 66.768 16.6206 25.9742 63.1883 66.7681 63.1884 -4.85825 GPRESSAVG: 3501200 -24.6834 18.3998 66.2642 18.6352 24.3107 63.1865 69.0859 59.0965 -5.7961 TIMING: 3501200 CPU: 11117, 0.00311578/step Wall: 11117, 0.00311578/step, 1.2972 hours remaining, 233.054688 MB of memory in use. ENERGY: 3501200 4023.6377 20761.8644 14439.1052 243.6546 -203206.7860 2279.9183 0.0000 0.0000 51703.3896 -109755.2164 297.1401 -161458.6059 -109388.7284 298.6942 -157.5158 -127.1287 760442.4322 -1.9727 -2.0563 PRESSURE: 3501400 377.878 -122.454 176.348 -122.454 175.348 -58.6907 176.349 -58.691 218.201 GPRESSURE: 3501400 446.558 -12.4717 184.015 -144.874 159.602 -138.901 212.412 -11.9637 255.097 PRESSAVG: 3501400 11.3771 2.83018 23.4316 2.83025 -7.58858 -18.4488 23.4316 -18.4489 -22.3397 GPRESSAVG: 3501400 11.4231 2.68519 23.8689 -0.991311 -8.03032 -17.4686 23.4916 -18.6044 -21.8212 TIMING: 3501400 CPU: 11117.6, 0.00312292/step Wall: 11117.6, 0.00312292/step, 1.3 hours remaining, 233.054688 MB of memory in use. ENERGY: 3501400 3979.5086 20385.5802 14445.1507 244.0364 -203430.7796 2560.4419 0.0000 0.0000 51996.2593 -109819.8025 298.8232 -161816.0618 -109462.4315 298.9643 257.1422 287.0856 761389.1039 -6.1838 -6.1428 PRESSURE: 3501600 -169.509 -21.5235 237.952 -21.5245 -293.238 -142.781 237.953 -142.779 189.559 GPRESSURE: 3501600 -119.328 37.0939 267.542 15.7641 -228.971 -48.3182 88.5313 -69.5533 174.866 PRESSAVG: 3501600 -35.9184 -10.1137 -24.5138 -10.1137 -0.424136 -27.9223 -24.5138 -27.9223 5.00018 GPRESSAVG: 3501600 -35.7264 -9.35079 -23.7267 -8.64734 1.18156 -27.6637 -25.288 -23.4558 3.62091 TIMING: 3501600 CPU: 11118.3, 0.00312408/step Wall: 11118.3, 0.00312408/step, 1.30031 hours remaining, 233.054688 MB of memory in use. ENERGY: 3501600 3902.8826 20541.5878 14490.0933 244.6055 -203207.6322 2491.8003 0.0000 0.0000 51810.0291 -109726.6335 297.7529 -161536.6626 -109365.4721 298.6088 -91.0625 -57.8110 761441.3939 -10.4475 -10.3080 PRESSURE: 3501800 -215.98 128.033 -380.897 128.033 -211.824 0.16569 -380.897 0.165645 52.5718 GPRESSURE: 3501800 -121.216 190.002 -452.666 46.6734 -181.756 -43.983 -318.989 -122.575 30.0925 PRESSAVG: 3501800 0.636366 23.3247 -54.9231 23.3247 -34.9111 -10.0826 -54.9232 -10.0826 -5.91001 GPRESSAVG: 3501800 0.774582 24.3629 -55.6992 23.6252 -35.1695 -11.0606 -55.0731 -10.8496 -5.61088 TIMING: 3501800 CPU: 11118.9, 0.00313461/step Wall: 11118.9, 0.00313461/step, 1.30452 hours remaining, 233.054688 MB of memory in use. ENERGY: 3501800 3971.1929 20299.5554 14504.5445 238.4580 -203172.2477 2391.3463 0.0000 0.0000 52323.4796 -109443.6711 300.7038 -161767.1507 -109072.1677 299.5181 -125.0773 -90.9596 760635.7143 -13.3949 -13.3353 PRESSURE: 3502000 135.457 154.886 -127.445 154.886 -88.388 -59.1899 -127.444 -59.1905 -140.711 GPRESSURE: 3502000 76.6283 130.697 -117.249 59.9365 -46.1643 15.3547 12.1882 -85.2855 -49.4765 PRESSAVG: 3502000 3.92747 45.6516 -59.6453 45.6515 30.4941 16.1589 -59.6452 16.159 7.47127 GPRESSAVG: 3502000 3.054 45.9492 -59.9556 43.2887 30.9264 16.3679 -58.9538 14.9495 7.80644 TIMING: 3502000 CPU: 11119.5, 0.00312137/step Wall: 11119.5, 0.00312137/step, 1.29884 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3502000 3979.6333 20413.8601 14414.7401 249.2167 -203306.7799 2678.4322 0.0000 0.0000 52183.7209 -109387.1766 299.9006 -161570.8975 -109018.1599 299.4588 -31.2141 -6.3375 761790.9138 13.9643 13.9289 PRESSURE: 3502200 -219.982 -31.4084 -17.6194 -31.408 -330.967 76.6905 -17.6198 76.6898 -149.405 GPRESSURE: 3502200 -129.481 73.0808 -97.8798 -46.9107 -260.565 133.23 -47.0998 138.387 -228.632 PRESSAVG: 3502200 33.2302 63.3722 33.1793 63.3723 -50.1824 -1.62757 33.1793 -1.62755 -4.91906 GPRESSAVG: 3502200 33.1289 60.928 32.6741 67.2435 -50.1047 -0.374614 33.0201 -1.33206 -4.49566 TIMING: 3502200 CPU: 11120.1, 0.00312411/step Wall: 11120.1, 0.00312411/step, 1.2998 hours remaining, 233.054688 MB of memory in use. ENERGY: 3502200 4097.9193 20673.9959 14386.9770 251.5434 -203500.5292 2757.0217 0.0000 0.0000 52058.9623 -109274.1096 299.1836 -161333.0719 -108920.0865 299.2456 -233.4515 -206.2262 762642.6157 -7.2904 -7.1571 PRESSURE: 3502400 -230.236 36.7334 171.639 36.7339 -43.9326 -77.2156 171.64 -77.2169 -130.627 GPRESSURE: 3502400 -223.294 76.251 185.198 117.689 26.1802 -69.4645 165.894 -234.265 -112.054 PRESSAVG: 3502400 -3.63596 2.50563 9.30852 2.50569 -23.9169 -14.3208 9.30858 -14.3208 -18.9335 GPRESSAVG: 3502400 -3.76121 2.98646 9.40574 -0.534276 -23.2508 -16.4366 8.89818 -14.1818 -19.0746 TIMING: 3502400 CPU: 11120.8, 0.00311463/step Wall: 11120.8, 0.00311463/step, 1.29569 hours remaining, 233.054688 MB of memory in use. ENERGY: 3502400 3970.0138 20470.0475 14443.1536 247.4964 -203165.0275 2534.1684 0.0000 0.0000 52001.5572 -109498.5905 298.8537 -161500.1477 -109128.8257 299.5300 -134.9319 -103.0561 761886.2768 -15.4955 -15.3622 PRESSURE: 3502600 -183.733 159.211 -79.4894 159.21 -99.1482 -0.569866 -79.4905 -0.569594 -248.97 GPRESSURE: 3502600 -127.738 282.585 -32.4983 251.688 -99.6403 89.4098 -190.554 82.206 -209.801 PRESSAVG: 3502600 0.817552 -19.3161 29.6621 -19.3161 -11.4127 -15.685 29.6621 -15.6851 -7.68364 GPRESSAVG: 3502600 0.907589 -18.8712 30.851 -17.2726 -9.99347 -13.4808 29.4497 -17.5264 -9.17238 TIMING: 3502600 CPU: 11121.4, 0.00309339/step Wall: 11121.4, 0.00309339/step, 1.28668 hours remaining, 233.054688 MB of memory in use. ENERGY: 3502600 3972.3514 20454.9348 14500.6556 259.8908 -203359.8613 2560.9263 0.0000 0.0000 52211.6627 -109399.4396 300.0611 -161611.1023 -109040.2854 298.8126 -177.2836 -145.7263 761667.4778 -6.0929 -6.0861 PRESSURE: 3502800 185.077 -2.39419 75.0843 -2.39448 356.6 99.5832 75.084 99.5822 113.48 GPRESSURE: 3502800 256.479 59.3873 5.14425 -45.2998 400.331 47.8453 55.1196 -95.8968 93.0744 PRESSAVG: 3502800 33.0938 30.8156 40.3545 30.8156 -1.32965 -66.4644 40.3544 -66.4644 17.9898 GPRESSAVG: 3502800 33.7739 30.7459 40.0747 30.3443 -3.18089 -66.4326 39.5987 -66.2421 19.1768 TIMING: 3502800 CPU: 11122, 0.00312825/step Wall: 11122, 0.00312825/step, 1.30101 hours remaining, 233.054688 MB of memory in use. ENERGY: 3502800 4014.0447 20523.2326 14449.9851 248.1087 -203770.3693 3136.0684 0.0000 0.0000 51933.9540 -109464.9758 298.4651 -161398.9298 -109111.4866 299.2806 218.3858 249.9614 760108.7194 16.5847 16.5900 PRESSURE: 3503000 159.687 233.937 230.965 233.936 25.1163 100.843 230.965 100.844 -75.2504 GPRESSURE: 3503000 192.921 179.306 213.858 174.412 7.35185 88.4242 187.382 30.1601 -1.89938 PRESSAVG: 3503000 20.7702 -20.8933 31.346 -20.8933 -19.3121 -21.705 31.346 -21.705 -14.4254 GPRESSAVG: 3503000 19.5658 -19.9535 31.9351 -22.1116 -19.2324 -22.8681 29.5971 -20.8273 -13.5547 TIMING: 3503000 CPU: 11122.6, 0.00312983/step Wall: 11122.6, 0.00312983/step, 1.30149 hours remaining, 233.054688 MB of memory in use. ENERGY: 3503000 3966.6026 20468.8688 14442.9545 239.5037 -203673.8685 2986.8060 0.0000 0.0000 52110.3553 -109458.7777 299.4789 -161569.1330 -109094.5465 298.7895 36.5175 66.1245 763752.6941 -4.3224 -4.4071 PRESSURE: 3503200 -97.0659 -179.68 69.4347 -179.68 -276.736 159.567 69.4332 159.567 117.8 GPRESSURE: 3503200 -132.209 -150.94 52.0341 -224.938 -206.647 81.3387 8.67951 130.212 173.526 PRESSAVG: 3503200 42.1348 -13.1065 -10.6843 -13.1065 -18.1353 16.8359 -10.6843 16.8359 6.1854 GPRESSAVG: 3503200 42.569 -13.2806 -11.085 -13.2042 -16.967 16.7423 -9.23547 15.575 5.24211 TIMING: 3503200 CPU: 11123.3, 0.00312462/step Wall: 11123.3, 0.00312462/step, 1.29915 hours remaining, 233.054688 MB of memory in use. ENERGY: 3503200 3975.1654 20474.1205 14504.5170 248.7319 -202928.4921 2354.0168 0.0000 0.0000 52265.0681 -109106.8725 300.3681 -161371.9405 -108746.7325 299.6619 -85.3338 -55.1102 763022.1531 10.0616 10.2814 PRESSURE: 3503400 -91.757 55.7298 -171.9 55.7296 -201.815 165.894 -171.899 165.894 395.24 GPRESSURE: 3503400 -63.6481 53.233 -82.5128 -71.5843 -113.189 175.572 -20.1719 108.217 348.373 PRESSAVG: 3503400 17.083 13.2771 33.631 13.277 -70.1008 -22.8878 33.6311 -22.8878 -28.0477 GPRESSAVG: 3503400 18.4169 13.028 34.0164 10.9754 -72.0215 -22.3926 35.0405 -22.7142 -27.7108 TIMING: 3503400 CPU: 11123.9, 0.00312503/step Wall: 11123.9, 0.00312503/step, 1.29914 hours remaining, 233.054688 MB of memory in use. ENERGY: 3503400 3960.4417 20496.2567 14493.1772 240.2830 -203583.0692 2782.5457 0.0000 0.0000 52315.1359 -109295.2291 300.6558 -161610.3651 -108934.5738 300.0480 33.8890 57.1785 761630.9720 -27.0219 -27.1051 PRESSURE: 3503600 -55.1725 10.6512 129.731 10.6509 -211.099 146.225 129.731 146.225 -229.214 GPRESSURE: 3503600 -146.891 65.7284 136.79 95.6113 -108.62 123.104 65.9151 133.711 -157.186 PRESSAVG: 3503600 81.3492 18.8285 25.7511 18.8285 -59.3277 0.566368 25.7511 0.566361 18.8936 GPRESSAVG: 3503600 79.7986 19.0581 24.9343 21.7813 -58.0901 0.551185 23.9112 -0.305227 19.0608 TIMING: 3503600 CPU: 11124.5, 0.00312689/step Wall: 11124.5, 0.00312689/step, 1.29974 hours remaining, 233.054688 MB of memory in use. ENERGY: 3503600 4133.4882 20459.6564 14500.5530 251.4889 -203637.9188 2933.5903 0.0000 0.0000 52157.8448 -109201.2971 299.7519 -161359.1419 -108840.8953 299.9044 -165.1619 -137.5658 763057.8784 13.6384 13.5897 PRESSURE: 3503800 62.5618 114.554 264.719 114.555 265.414 -194.405 264.719 -194.405 -16.8232 GPRESSURE: 3503800 105.026 47.4886 203.904 28.2118 262.371 -189.585 236.113 -108.931 28.2419 PRESSAVG: 3503800 40.0154 9.38134 -28.5967 9.38135 -64.1802 -14.6548 -28.5967 -14.6549 -4.61121 GPRESSAVG: 3503800 40.0344 9.65002 -29.0857 9.50834 -63.9148 -14.4065 -27.0782 -12.2785 -4.90602 TIMING: 3503800 CPU: 11125.1, 0.00313422/step Wall: 11125.1, 0.00313422/step, 1.30262 hours remaining, 233.054688 MB of memory in use. ENERGY: 3503800 4034.6119 20607.6884 14533.6163 247.2575 -203377.1797 2770.9136 0.0000 0.0000 51974.3031 -109208.7889 298.6970 -161183.0920 -108851.1668 299.9167 103.7175 131.8797 762228.2632 -9.5920 -9.5955 PRESSURE: 3504000 -289.824 134.431 -49.3622 134.431 -56.9719 130.75 -49.3629 130.75 398.71 GPRESSURE: 3504000 -162.857 4.19493 -159.621 125.601 -137.768 52.9434 21.6517 221.167 445.901 PRESSAVG: 3504000 5.66366 -20.0537 -3.09237 -20.0536 -1.35114 19.3733 -3.09242 19.3732 -15.6787 GPRESSAVG: 3504000 5.38498 -19.4058 -4.31504 -21.0683 -2.51559 18.2168 -1.52769 19.1678 -14.5794 TIMING: 3504000 CPU: 11125.8, 0.00311946/step Wall: 11125.8, 0.00311946/step, 1.29631 hours remaining, 233.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3504000 3942.1335 20623.3890 14537.1996 252.6553 -203031.6922 2502.6381 0.0000 0.0000 52011.0480 -109162.6287 298.9082 -161173.6767 -108799.4830 299.6355 17.3049 48.4255 763023.0625 -3.7887 -3.9033 PRESSURE: 3504200 48.387 79.1998 -24.9518 79.1996 -104.105 -138.933 -24.9511 -138.935 -197.27 GPRESSURE: 3504200 72.3608 72.6519 -32.5275 -30.0156 -66.9453 -142.122 45.1476 -79.3656 -180.864 PRESSAVG: 3504200 59.0305 23.6797 26.2705 23.6797 -38.1779 37.9079 26.2706 37.9079 14.65 GPRESSAVG: 3504200 58.622 20.4572 28.3472 26.0277 -36.7147 39.5416 25.7118 36.5543 13.1959 TIMING: 3504200 CPU: 11126.4, 0.00311365/step Wall: 11126.4, 0.00311365/step, 1.29372 hours remaining, 233.054688 MB of memory in use. ENERGY: 3504200 4027.7527 20617.8846 14440.6676 250.5501 -203236.7931 2589.5756 0.0000 0.0000 52036.2917 -109274.0707 299.0533 -161310.3624 -108917.0093 299.9788 -84.3293 -58.4828 763096.1024 11.8342 11.7010 LDB: ============= START OF LOAD BALANCING ============== 11138.8 LDB: ============== END OF LOAD BALANCING =============== 11138.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11138.8 LDB: ============= START OF LOAD BALANCING ============== 11139.1 LDB: Largest compute 7078 load 0.031310 is 16.0% of average load 0.195593 LDB: Average compute 0.004380 is 2.2% of average load 0.195593 LDB: TIME 11139.1 LOAD: AVG 0.195593 MAX 0.214143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.438 MB LDB: TIME 11139.1 LOAD: AVG 0.195593 MAX 0.214143 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: TIME 11139.1 LOAD: AVG 0.195593 MAX 0.214143 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: ============== END OF LOAD BALANCING =============== 11139.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.1 PRESSURE: 3504400 79.3354 -23.133 167.626 -23.1334 -230.21 19.8499 167.626 19.8484 -260.833 GPRESSURE: 3504400 69.9566 -34.5271 185.276 -41.7189 -126.283 -50.9911 89.3917 39.4124 -278.169 PRESSAVG: 3504400 2.73826 -51.6864 -12.9961 -51.6863 -29.0991 -26.0194 -12.996 -26.0194 -26.0011 GPRESSAVG: 3504400 2.64706 -47.1998 -11.5259 -54.3681 -28.9107 -27.0948 -13.6536 -25.1218 -26.1195 TIMING: 3504400 CPU: 11127, 0.00318381/step Wall: 11127, 0.00318381/step, 1.3227 hours remaining, 234.136719 MB of memory in use. ENERGY: 3504400 3940.0602 20535.9469 14425.1843 255.7911 -203415.8758 2647.8647 0.0000 0.0000 52477.0018 -109134.0269 301.5861 -161611.0287 -108770.5721 299.4275 -137.2359 -111.4987 762578.1993 -17.4540 -17.4610 PRESSURE: 3504600 -54.2042 8.81651 -25.537 8.81788 140.1 136.065 -25.5368 136.064 -35.2921 GPRESSURE: 3504600 27.0096 26.5831 -99.3262 -47.4803 92.7764 156.432 106.081 157.447 10.7863 PRESSAVG: 3504600 120.122 -42.7925 -23.3875 -42.7925 -63.0667 6.77488 -23.3875 6.7749 22.9508 GPRESSAVG: 3504600 122.611 -45.0717 -26.843 -45.1035 -65.3247 5.91883 -22.5682 7.78954 22.7095 TIMING: 3504600 CPU: 11127.6, 0.00312077/step Wall: 11127.6, 0.00312077/step, 1.29633 hours remaining, 234.343750 MB of memory in use. ENERGY: 3504600 3939.9085 20489.9475 14508.6692 252.1419 -202933.5366 2159.1480 0.0000 0.0000 52339.6043 -109244.1173 300.7964 -161583.7215 -108875.8517 299.6762 16.8678 43.5241 763045.7070 26.6689 26.6654 PRESSURE: 3504800 -337.737 47.0286 12.1894 47.0276 93.6424 -25.8278 12.1892 -25.8268 -34.3831 GPRESSURE: 3504800 -229.397 -5.96255 25.42 68.4156 99.3639 19.7643 50.1363 -132.193 -67.5295 PRESSAVG: 3504800 -19.269 -52.6861 -46.2295 -52.686 1.62277 -42.6995 -46.2294 -42.6996 -5.3564 GPRESSAVG: 3504800 -18.4143 -54.4972 -44.8172 -50.882 1.33751 -43.8257 -46.4547 -42.8305 -5.77814 TIMING: 3504800 CPU: 11128.3, 0.00314046/step Wall: 11128.3, 0.00314046/step, 1.30434 hours remaining, 234.343750 MB of memory in use. ENERGY: 3504800 4044.7601 20609.0632 14444.1875 264.8450 -203153.1335 2401.5473 0.0000 0.0000 52215.9671 -109172.7632 300.0859 -161388.7304 -108814.9599 299.2431 -92.8259 -65.8543 762720.1101 -7.6675 -7.6183 PRESSURE: 3505000 -248.783 7.84074 48.5 7.84072 -114.058 -87.236 48.4989 -87.2359 -380.529 GPRESSURE: 3505000 -193.952 -6.89235 -41.2974 -44.2365 -104.89 -32.6543 139.091 -57.8886 -351.062 PRESSAVG: 3505000 -25.3482 -38.049 -2.04601 -38.0489 -24.6255 -48.7425 -2.04593 -48.7425 -4.25986 GPRESSAVG: 3505000 -26.8157 -37.1705 -1.80165 -38.3374 -23.6423 -47.0275 -5.55994 -48.8756 -3.24536 TIMING: 3505000 CPU: 11128.9, 0.00312155/step Wall: 11128.9, 0.00312155/step, 1.29631 hours remaining, 234.542969 MB of memory in use. ENERGY: 3505000 4022.9482 20720.4842 14455.2272 240.5843 -202930.1588 2446.4545 0.0000 0.0000 52055.6377 -108988.8228 299.1645 -161044.4606 -108622.4894 299.6685 -247.7901 -216.6348 764218.4325 -18.0778 -17.9011 PRESSURE: 3505200 479.139 263.08 6.89114 263.079 -331.135 28.5071 6.89184 28.5078 -120.736 GPRESSURE: 3505200 464.244 242.952 -4.3152 102.255 -282.8 54.2646 66.8583 31.1632 -70.7512 PRESSAVG: 3505200 118.023 -25.903 -25.7171 -25.903 -60.6907 66.2074 -25.717 66.2074 19.582 GPRESSAVG: 3505200 118.492 -27.3191 -26.7257 -26.0207 -61.0421 66.6458 -23.1557 64.8232 19.8155 TIMING: 3505200 CPU: 11129.5, 0.00312148/step Wall: 11129.5, 0.00312148/step, 1.29611 hours remaining, 234.542969 MB of memory in use. ENERGY: 3505200 4002.0711 20452.4337 14518.8009 253.1762 -203003.1722 2449.8526 0.0000 0.0000 52264.6244 -109062.2132 300.3655 -161326.8376 -108694.0761 299.8405 9.0893 36.8976 763193.1947 25.6382 25.7553 PRESSURE: 3505400 123.736 -4.71055 58.988 -4.71059 153.408 222.703 58.9875 222.702 22.2948 GPRESSURE: 3505400 139.806 73.5259 15.9224 -20.0574 182.782 150.124 100.404 164.131 46.371 PRESSAVG: 3505400 58.6023 -45.4588 20.6754 -45.4588 -48.7338 -8.36435 20.6755 -8.36448 1.53482 GPRESSAVG: 3505400 59.156 -44.0486 19.9035 -45.3908 -48.9254 -9.28273 20.9221 -8.34532 1.00497 TIMING: 3505400 CPU: 11130.2, 0.00313636/step Wall: 11130.2, 0.00313636/step, 1.30211 hours remaining, 234.542969 MB of memory in use. ENERGY: 3505400 3986.6880 20647.2711 14512.3922 241.1730 -203761.7679 2878.3858 0.0000 0.0000 52370.5000 -109125.3579 300.9740 -161495.8579 -108751.0057 300.2765 99.8129 122.9864 761208.5528 3.8011 3.7452 PRESSURE: 3505600 -285.927 -177.112 15.9461 -177.111 -419.132 -66.4487 15.9466 -66.4481 -238.015 GPRESSURE: 3505600 -307.533 -236.517 -9.61702 -118.505 -359.134 -34.9374 -45.5336 35.7086 -197.215 PRESSAVG: 3505600 60.1139 -49.2856 10.0538 -49.2855 -29.6359 -15.943 10.0538 -15.9431 -9.34488 GPRESSAVG: 3505600 58.9827 -48.0192 11.8018 -47.2313 -28.7232 -15.275 11.2978 -14.5439 -8.91686 TIMING: 3505600 CPU: 11130.8, 0.00312269/step Wall: 11130.8, 0.00312269/step, 1.29626 hours remaining, 234.542969 MB of memory in use. ENERGY: 3505600 4045.4956 20633.2661 14557.9456 259.3980 -202777.0746 2296.9935 0.0000 0.0000 51908.2633 -109075.7125 298.3175 -160983.9758 -108719.0961 300.0181 -314.3581 -287.9608 762114.8531 7.0444 7.1142 PRESSURE: 3505800 -215.881 -61.8977 -234.241 -61.8963 -235.14 -187.071 -234.241 -187.071 -232.681 GPRESSURE: 3505800 -196.105 70.188 -193.161 -83.3484 -167.308 -204.352 -309.491 -147.425 -248.203 PRESSAVG: 3505800 31.3238 -38.3765 -19.7519 -38.3765 8.68891 19.8631 -19.7519 19.8632 -12.7472 GPRESSAVG: 3505800 31.7521 -39.9487 -18.8787 -39.5612 8.32821 19.2651 -20.3321 19.3957 -12.541 TIMING: 3505800 CPU: 11131.4, 0.00310884/step Wall: 11131.4, 0.00310884/step, 1.29034 hours remaining, 234.542969 MB of memory in use. ENERGY: 3505800 4019.4395 20627.8841 14577.0849 236.7021 -202881.8793 2139.0842 0.0000 0.0000 52247.1353 -109034.5493 300.2650 -161281.6847 -108658.4681 299.8358 -227.9009 -203.8721 762101.6811 9.0885 9.1798 PRESSURE: 3506000 -88.3062 -53.8339 224.848 -53.8339 126.704 60.337 224.848 60.3365 -158.779 GPRESSURE: 3506000 -46.8421 23.873 205.027 -98.1264 198.45 -10.7269 132.199 95.673 -164.613 PRESSAVG: 3506000 -0.754028 -33.7805 13.9024 -33.7805 -14.2509 -1.27819 13.9024 -1.27827 -19.1658 GPRESSAVG: 3506000 -0.450954 -32.1005 11.5452 -34.1428 -14.9839 -0.738219 13.7934 -1.87856 -19.1432 TIMING: 3506000 CPU: 11132, 0.00310696/step Wall: 11132, 0.00310696/step, 1.28939 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 4031.8830 20603.1949 14514.1442 248.6257 -203085.1520 2416.6581 0.0000 0.0000 52102.6136 -109168.0325 299.4344 -161270.6461 -108795.3375 299.7249 -40.1272 -4.3352 762345.3011 -11.3902 -11.5260 PRESSURE: 3506200 -39.4793 86.0456 -6.2699 86.0463 74.8571 21.0398 -6.27065 21.0399 -152.812 GPRESSURE: 3506200 -32.9937 17.1617 -41.8465 40.7241 82.6956 -12.6493 41.961 29.3469 -90.9334 PRESSAVG: 3506200 41.7689 -33.1049 28.1228 -33.1049 -21.9634 6.9647 28.1228 6.96458 10.2779 GPRESSAVG: 3506200 41.0289 -34.0801 30.4298 -32.6849 -21.4895 7.82748 26.9514 8.43104 10.7541 TIMING: 3506200 CPU: 11132.6, 0.00310899/step Wall: 11132.6, 0.00310899/step, 1.29006 hours remaining, 234.542969 MB of memory in use. ENERGY: 3506200 3988.4260 20549.1634 14454.2377 269.6574 -203010.3247 2513.8906 0.0000 0.0000 52182.3033 -109052.6463 299.8924 -161234.9496 -108682.8010 299.8492 -39.1449 -13.7438 761241.8373 10.0278 10.0978 PRESSURE: 3506400 369.098 121.105 -2.7423 121.105 -142.848 206.001 -2.74099 206.001 431.944 GPRESSURE: 3506400 390.18 38.7817 -21.6546 168.583 -80.4467 81.4595 12.088 158.836 430.605 PRESSAVG: 3506400 -22.3614 -42.4208 -0.166432 -42.4209 -17.7377 13.9078 -0.166448 13.9078 -17.5466 GPRESSAVG: 3506400 -22.7553 -44.7596 -0.146742 -42.0461 -16.564 12.012 0.618941 13.4435 -18.435 TIMING: 3506400 CPU: 11133.3, 0.00313727/step Wall: 11133.3, 0.00313727/step, 1.30162 hours remaining, 234.542969 MB of memory in use. ENERGY: 3506400 4014.1410 20597.3036 14532.5058 218.9579 -203585.9054 2865.8604 0.0000 0.0000 52347.7456 -109009.3912 300.8432 -161357.1368 -108641.5725 300.0677 219.3981 246.7792 762726.2536 -19.2152 -19.2514 PRESSURE: 3506600 -169.616 74.5888 -31.4776 74.5887 -73.5074 -96.1579 -31.4778 -96.1576 83.8491 GPRESSURE: 3506600 -98.7875 118.684 -57.3179 102.358 -27.2406 -132.187 -45.1 19.4279 55.5637 PRESSAVG: 3506600 5.04277 16.8011 28.6811 16.801 38.3141 -28.4287 28.6812 -28.4287 0.292033 GPRESSAVG: 3506600 6.25005 20.5073 30.7027 17.0353 36.6047 -27.3263 26.8642 -29.7805 1.26747 TIMING: 3506600 CPU: 11133.9, 0.00312222/step Wall: 11133.9, 0.00312222/step, 1.2952 hours remaining, 234.542969 MB of memory in use. ENERGY: 3506600 4031.3176 20714.1073 14547.3714 259.0915 -203788.5304 2961.0417 0.0000 0.0000 52216.6145 -109058.9864 300.0896 -161275.6009 -108698.3748 300.2977 -53.0914 -23.4882 761946.8788 14.5496 14.7074 PRESSURE: 3506800 -38.1196 16.0816 473.238 16.0818 -91.4777 90.1716 473.238 90.1725 -274.925 GPRESSURE: 3506800 64.2292 3.31764 469.641 71.4091 -157.563 18.8922 470.286 58.4682 -240.066 PRESSAVG: 3506800 -4.26854 -13.6675 50.372 -13.6675 9.10857 -20.0171 50.372 -20.0171 -5.91357 GPRESSAVG: 3506800 -5.25893 -16.5984 45.8775 -11.6863 10.5662 -20.8729 52.4889 -19.4193 -6.44964 TIMING: 3506800 CPU: 11134.5, 0.00310909/step Wall: 11134.5, 0.00310909/step, 1.28958 hours remaining, 234.542969 MB of memory in use. ENERGY: 3506800 3942.0326 20633.2157 14547.0905 256.3934 -203359.8749 2571.6883 0.0000 0.0000 52079.3287 -109330.1257 299.3006 -161409.4543 -108973.5291 300.0725 -134.8410 -111.1333 763023.9393 -0.3578 -0.3808 PRESSURE: 3507000 -28.9075 137.536 -30.3935 137.536 -308.467 61.1334 -30.3939 61.1349 597.122 GPRESSURE: 3507000 -53.6422 156.165 -61.132 62.9321 -139.708 102.722 -7.74168 31.4797 541.65 PRESSAVG: 3507000 -7.21032 51.904 -5.43328 51.904 -5.9326 2.87924 -5.43321 2.87923 -1.40566 GPRESSAVG: 3507000 -6.83817 53.0607 -3.46309 49.4903 -6.5063 3.73571 -4.60709 3.21608 -0.63311 TIMING: 3507000 CPU: 11135.1, 0.00311392/step Wall: 11135.1, 0.00311392/step, 1.29141 hours remaining, 234.542969 MB of memory in use. ENERGY: 3507000 3968.1523 20593.6792 14453.3732 270.8229 -203604.2104 2805.0673 0.0000 0.0000 52203.9402 -109309.1753 300.0168 -161513.1155 -108949.5225 299.4533 86.5826 116.1001 762332.7562 -4.8495 -4.6592 PRESSURE: 3507200 -240.895 -117.09 141.796 -117.09 -21.8813 -74.4225 141.796 -74.4227 40.0725 GPRESSURE: 3507200 -180.905 -189.715 106.799 -42.3524 -4.77463 26.0818 77.0508 11.0285 64.6921 PRESSAVG: 3507200 31.9147 -43.7908 26.4683 -43.7907 16.3251 33.944 26.4682 33.944 20.2931 GPRESSAVG: 3507200 31.7089 -44.5662 26.0428 -42.046 16.2889 34.1931 24.3839 33.2839 21.3014 TIMING: 3507200 CPU: 11135.8, 0.00311533/step Wall: 11135.8, 0.00311533/step, 1.29182 hours remaining, 234.542969 MB of memory in use. ENERGY: 3507200 3999.7224 20420.5790 14512.1754 240.9448 -203254.7308 2544.5118 0.0000 0.0000 52287.1016 -109249.6959 300.4947 -161536.7975 -108882.3146 299.4078 -74.2345 -40.3293 762491.8711 22.8443 23.0998 PRESSURE: 3507400 206.609 200.024 166.372 200.025 232.259 -40.0847 166.372 -40.0835 -155.847 GPRESSURE: 3507400 186.499 352.832 80.7887 221.96 360.565 -205.232 186.447 9.07325 -173.928 PRESSAVG: 3507400 -10.6233 11.5214 50.4679 11.5214 -12.2415 41.6399 50.4678 41.6399 -12.4248 GPRESSAVG: 3507400 -9.95066 13.5736 49.142 10.9646 -11.8719 41.558 51.3499 41.8791 -13.2935 TIMING: 3507400 CPU: 11136.4, 0.00312358/step Wall: 11136.4, 0.00312358/step, 1.29507 hours remaining, 234.542969 MB of memory in use. ENERGY: 3507400 4046.1016 20533.4704 14497.0214 279.3801 -203545.3657 2946.3795 0.0000 0.0000 51991.6044 -109251.4082 298.7965 -161243.0126 -108888.2529 299.8395 94.3404 124.3785 760932.0436 -11.7632 -11.7053 PRESSURE: 3507600 -30.0789 32.67 -151.239 32.6711 -290.635 -65.7661 -151.239 -65.7655 3.0955 GPRESSURE: 3507600 34.6158 31.223 -112.314 -20.7597 -163.934 -100.227 -111.957 64.4652 -91.3811 PRESSAVG: 3507600 17.2889 21.5633 6.59311 21.5632 -3.03125 25.9025 6.59316 25.9026 11.2194 GPRESSAVG: 3507600 16.8121 19.0349 7.97448 22.8222 -3.28625 23.8759 8.15585 29.2468 12.0157 TIMING: 3507600 CPU: 11137, 0.00312795/step Wall: 11137, 0.00312795/step, 1.29671 hours remaining, 234.542969 MB of memory in use. ENERGY: 3507600 4033.8271 20634.1989 14402.7166 254.5940 -202873.3841 2253.0131 0.0000 0.0000 51902.1948 -109392.8396 298.2826 -161295.0344 -109033.5748 299.4478 -105.8729 -73.5665 762947.7096 8.4923 8.5138 PRESSURE: 3507800 169.099 -202.358 -28.4673 -202.357 -212.687 189.941 -28.4666 189.94 -32.1437 GPRESSURE: 3507800 215.301 -174.011 38.987 -121.448 -234.452 182.595 -52.9937 104.815 21.0489 PRESSAVG: 3507800 68.045 18.4563 9.44874 18.4562 -0.310605 -23.2929 9.44876 -23.2929 -6.60742 GPRESSAVG: 3507800 68.4585 18.7287 11.5922 18.9296 0.129192 -21.3359 7.34288 -25.7698 -7.64759 TIMING: 3507800 CPU: 11137.6, 0.00310971/step Wall: 11137.6, 0.00310971/step, 1.28898 hours remaining, 234.542969 MB of memory in use. ENERGY: 3507800 4040.2899 20666.1154 14507.2007 251.1472 -203631.3688 2670.8699 0.0000 0.0000 51980.4571 -109515.2886 298.7324 -161495.7457 -109163.4133 299.2359 -25.2438 0.6325 760546.6946 20.3757 20.3134 PRESSURE: 3508000 91.7671 -120.354 10.2709 -120.354 119.791 -224.393 10.2714 -224.393 -72.225 GPRESSURE: 3508000 200.911 -91.9879 118.089 -206.436 77.4383 -119.765 -113.756 -211.952 -63.9557 PRESSAVG: 3508000 48.3291 -5.7728 -44.92 -5.77278 -64.908 -11.2542 -44.92 -11.2541 -3.57539 GPRESSAVG: 3508000 48.8148 -5.1546 -45.9717 -8.14652 -65.9088 -12.5022 -45.2605 -12.0841 -2.89882 TIMING: 3508000 CPU: 11138.3, 0.00310904/step Wall: 11138.3, 0.00310904/step, 1.28853 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 3967.4915 20586.6313 14455.1663 239.4121 -203364.9251 2471.6290 0.0000 0.0000 52224.7636 -109419.8314 300.1364 -161644.5950 -109051.4655 299.2542 46.4443 71.4646 760299.3204 -6.7181 -6.6642 PRESSURE: 3508200 -344.931 102.191 -256.308 102.189 -514.226 -267.232 -256.307 -267.232 -528.303 GPRESSURE: 3508200 -243.146 56.9114 -250.625 180.41 -512.884 -278.895 -173.276 -73.4432 -538.671 PRESSAVG: 3508200 74.8684 -53.4906 -6.95552 -53.4907 -88.2962 -37.104 -6.95555 -37.1041 -2.55656 GPRESSAVG: 3508200 74.5412 -52.9361 -6.89258 -52.0054 -88.3006 -36.2872 -8.58567 -35.3384 -2.20322 TIMING: 3508200 CPU: 11138.9, 0.00314801/step Wall: 11138.9, 0.00314801/step, 1.3045 hours remaining, 234.542969 MB of memory in use. ENERGY: 3508200 4024.1415 20470.6528 14495.3521 238.6333 -203311.7506 2538.0997 0.0000 0.0000 52034.7945 -109510.0768 299.0447 -161544.8712 -109155.6186 299.2378 -462.4868 -431.5671 761418.9428 -5.3281 -5.3209 LDB: ============= START OF LOAD BALANCING ============== 11151.3 LDB: ============== END OF LOAD BALANCING =============== 11151.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151.3 LDB: ============= START OF LOAD BALANCING ============== 11151.6 LDB: Largest compute 7036 load 0.029923 is 15.3% of average load 0.195662 LDB: Average compute 0.004366 is 2.2% of average load 0.195662 LDB: TIME 11151.6 LOAD: AVG 0.195662 MAX 0.212917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.191 MB LDB: TIME 11151.6 LOAD: AVG 0.195662 MAX 0.212917 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.211 MB LDB: TIME 11151.6 LOAD: AVG 0.195662 MAX 0.212917 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.211 MB LDB: ============== END OF LOAD BALANCING =============== 11151.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151.6 PRESSURE: 3508400 210.754 -140.819 57.5068 -140.82 -229.496 105.139 57.5067 105.138 194.667 GPRESSURE: 3508400 276.053 -144.939 79.5915 -175.87 -185.887 178.516 92.3781 5.90001 143.916 PRESSAVG: 3508400 60.448 22.5662 9.07908 22.5661 -85.1721 -8.33903 9.07906 -8.33903 0.537191 GPRESSAVG: 3508400 60.1813 23.7218 8.22316 21.0385 -83.9794 -7.55988 9.18768 -9.18324 -0.528918 TIMING: 3508400 CPU: 11139.5, 0.0031893/step Wall: 11139.5, 0.0031893/step, 1.32143 hours remaining, 233.500000 MB of memory in use. ENERGY: 3508400 4052.7532 20648.7942 14448.7475 253.2779 -203647.4767 2685.1843 0.0000 0.0000 51915.6742 -109643.0454 298.3601 -161558.7196 -109276.9823 299.2192 58.6414 78.0271 761549.3606 -8.0623 -8.1090 PRESSURE: 3508600 306.041 -42.0564 -121.906 -42.056 99.2567 247.453 -121.906 247.454 20.3517 GPRESSURE: 3508600 315.207 -105.925 -53.7693 -35.3034 103.14 296.994 -179.95 54.9709 86.7799 PRESSAVG: 3508600 44.9094 -47.7 -15.8456 -47.7 27.4833 8.17111 -15.8456 8.17118 -5.14267 GPRESSAVG: 3508600 45.1519 -47.6707 -16.0568 -48.0157 28.0213 7.05958 -13.5113 8.69309 -5.10691 TIMING: 3508600 CPU: 11140.1, 0.00312164/step Wall: 11140.1, 0.00312164/step, 1.29322 hours remaining, 233.757812 MB of memory in use. ENERGY: 3508600 4016.0044 20551.9934 14439.7518 255.5337 -203876.3904 2849.6487 0.0000 0.0000 52005.2246 -109758.2338 298.8747 -161763.4584 -109392.6280 298.8908 141.8832 168.3758 760081.5880 22.4167 22.6888 PRESSURE: 3508800 396.703 109.794 65.1339 109.793 -304.344 -38.596 65.1344 -38.596 134.97 GPRESSURE: 3508800 379.677 120.361 52.0413 -3.32257 -179.467 -9.30586 118.665 -37.2755 133.876 PRESSAVG: 3508800 7.23571 -23.6825 -4.73772 -23.6824 27.6028 19.5396 -4.73778 19.5396 -4.77718 GPRESSAVG: 3508800 7.39346 -25.2828 -3.35194 -22.2539 27.1547 19.8378 -6.81965 18.0635 -3.87663 TIMING: 3508800 CPU: 11140.8, 0.00309387/step Wall: 11140.8, 0.00309387/step, 1.28155 hours remaining, 233.757812 MB of memory in use. ENERGY: 3508800 3989.9955 20358.0210 14485.9872 242.2951 -203896.3645 2898.0556 0.0000 0.0000 52104.1023 -109817.9077 299.4430 -161922.0100 -109450.4653 299.0440 75.7762 111.3621 759847.5951 10.0204 10.2238 PRESSURE: 3509000 15.8815 18.9742 200.512 18.9733 -128.487 -278.729 200.512 -278.729 -513.794 GPRESSURE: 3509000 -19.6534 9.34592 170.82 26.7915 -117.092 -272.438 143.033 -325.046 -403.896 PRESSAVG: 3509000 -11.5778 29.2389 -63.3263 29.239 -12.1673 5.64284 -63.3263 5.64286 -4.58808 GPRESSAVG: 3509000 -10.6126 30.3352 -65.7099 27.6006 -13.2811 5.78751 -62.7325 7.38543 -4.9091 TIMING: 3509000 CPU: 11141.4, 0.00311238/step Wall: 11141.4, 0.00311238/step, 1.28904 hours remaining, 233.757812 MB of memory in use. ENERGY: 3509000 4027.0707 20573.4054 14498.3461 247.1538 -203710.2534 2489.5506 0.0000 0.0000 52116.6386 -109758.0883 299.5150 -161874.7269 -109396.4819 299.0871 -208.7998 -180.2139 759682.7188 -9.4444 -9.6009 PRESSURE: 3509200 36.9379 -4.40613 85.4533 -4.40525 -278.887 -48.6738 85.4535 -48.6741 -480.717 GPRESSURE: 3509200 2.47098 42.0662 79.9713 75.2791 -259.63 -62.6735 35.6783 -21.0527 -367.801 PRESSAVG: 3509200 16.5616 15.7381 -39.7612 15.7381 -34.7549 -2.89884 -39.7613 -2.89884 38.5139 GPRESSAVG: 3509200 15.3123 13.6541 -37.9411 16.6992 -33.3407 -0.297998 -40.437 -3.83174 38.6202 TIMING: 3509200 CPU: 11142, 0.00313026/step Wall: 11142, 0.00313026/step, 1.29628 hours remaining, 233.757812 MB of memory in use. ENERGY: 3509200 4049.8932 20746.0074 14500.4763 247.2636 -203514.0460 2414.2425 0.0000 0.0000 51814.7993 -109741.3638 297.7804 -161556.1631 -109389.8783 298.5035 -240.8888 -208.3201 761244.2085 6.7735 6.8639 PRESSURE: 3509400 -335.736 51.9575 -29.832 51.9572 -207.542 305.225 -29.8322 305.225 -224.649 GPRESSURE: 3509400 -327.202 188.245 -169.586 -161.376 -212.833 176.072 36.4223 231.731 -151.388 PRESSAVG: 3509400 86.3287 -34.9295 -20.3488 -34.9295 -91.9834 39.4533 -20.3489 39.4533 -3.8294 GPRESSAVG: 3509400 86.4027 -31.4317 -20.9053 -36.7498 -93.286 35.4964 -18.6031 39.5004 -2.64398 TIMING: 3509400 CPU: 11142.6, 0.00312571/step Wall: 11142.6, 0.00312571/step, 1.29422 hours remaining, 233.757812 MB of memory in use. ENERGY: 3509400 4003.8754 20490.0665 14502.7081 254.5468 -202854.2927 2193.3882 0.0000 0.0000 51809.9010 -109599.8068 297.7522 -161409.7078 -109243.4255 298.2243 -255.9756 -230.4741 763035.5478 -3.1614 -3.1758 PRESSURE: 3509600 67.2454 79.4143 35.1913 79.4138 27.0028 -84.6034 35.1899 -84.6031 -91.849 GPRESSURE: 3509600 170.562 141.369 97.7795 64.0576 3.63268 -81.0136 161.424 -25.1211 -98.9845 PRESSAVG: 3509600 130.632 -40.2761 18.5782 -40.2761 -72.5162 28.2859 18.5782 28.2859 -20.8452 GPRESSAVG: 3509600 131.709 -41.4923 18.3393 -40.8607 -71.4824 29.7373 19.4503 29.4583 -22.4595 TIMING: 3509600 CPU: 11143.3, 0.00315385/step Wall: 11143.3, 0.00315385/step, 1.3057 hours remaining, 233.757812 MB of memory in use. ENERGY: 3509600 3995.7086 20516.2641 14469.8521 236.0061 -203697.8367 2778.9708 0.0000 0.0000 51881.3103 -109819.7247 298.1626 -161701.0350 -109455.1514 298.5238 0.7997 25.0701 760986.5426 12.4234 12.5891 PRESSURE: 3509800 -106.076 -51.4198 -172.149 -51.4196 -290.42 -248.455 -172.149 -248.456 146.485 GPRESSURE: 3509800 -65.3795 -7.72153 -169.048 55.4563 -276.883 -195.942 -188.837 -190.851 172.75 PRESSAVG: 3509800 49.6577 39.5393 -5.18173 39.5393 -94.0625 -79.6758 -5.18172 -79.6758 -5.78201 GPRESSAVG: 3509800 48.5892 39.5937 -5.39055 40.3266 -93.2009 -78.5095 -7.28441 -79.8622 -5.45401 TIMING: 3509800 CPU: 11143.9, 0.00312569/step Wall: 11143.9, 0.00312569/step, 1.29386 hours remaining, 233.757812 MB of memory in use. ENERGY: 3509800 3976.3811 20459.6936 14486.9182 249.4522 -203266.4871 2350.2416 0.0000 0.0000 52017.6217 -109726.1787 298.9460 -161743.8004 -109368.5906 298.6331 -83.3369 -56.5040 762237.7906 -16.7289 -16.6886 PRESSURE: 3510000 237.372 -67.4449 179.263 -67.445 -157.361 217.895 179.262 217.895 49.8608 GPRESSURE: 3510000 212.169 -77.3474 135.263 17.5175 -108.088 236.169 171.017 259.236 100.547 PRESSAVG: 3510000 29.3777 -47.2491 -61.6838 -47.2491 -28.6729 3.87044 -61.6838 3.87042 2.26172 GPRESSAVG: 3510000 30.345 -48.4562 -61.4299 -45.2748 -29.7926 3.17832 -62.7478 3.77484 2.25705 TIMING: 3510000 CPU: 11144.5, 0.00311205/step Wall: 11144.5, 0.00311205/step, 1.28804 hours remaining, 233.757812 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: 3510000 4050.6422 20601.3945 14477.2698 249.2384 -203505.5383 2586.5489 0.0000 0.0000 52033.1976 -109507.2468 299.0355 -161540.4445 -109154.2819 299.0917 43.2908 68.2091 761154.1665 0.9889 0.9365 PRESSURE: 3510200 -71.2717 -195.85 128.102 -195.85 -314.91 -137.994 128.102 -137.994 253.512 GPRESSURE: 3510200 -51.4374 -104.474 147.624 -286.849 -326.144 -139.857 83.0611 -60.734 313.468 PRESSAVG: 3510200 -1.41773 -31.7917 -46.6176 -31.7917 -61.2374 -10.143 -46.6175 -10.143 14.8357 GPRESSAVG: 3510200 -2.10546 -30.0583 -47.0456 -34.2945 -59.8552 -9.85628 -46.8991 -11.2422 14.3724 TIMING: 3510200 CPU: 11145.1, 0.00311657/step Wall: 11145.1, 0.00311657/step, 1.28974 hours remaining, 233.757812 MB of memory in use. ENERGY: 3510200 4001.7743 20465.9056 14442.4651 246.4354 -203368.1531 2437.0088 0.0000 0.0000 52136.2460 -109638.3179 299.6277 -161774.5639 -109268.5680 299.3594 -44.2234 -21.3709 760623.3333 -15.9398 -15.8628 PRESSURE: 3510400 -87.3058 178.869 94.3513 178.87 -143.211 233.233 94.3523 233.232 -190.151 GPRESSURE: 3510400 -80.2178 117.039 131.86 46.2234 -145.786 222.599 69.9248 196.082 -98.6546 PRESSAVG: 3510400 51.5034 -3.29411 13.9632 -3.29411 -20.5734 11.5553 13.9632 11.5552 17.0618 GPRESSAVG: 3510400 51.8351 -5.49407 15.8695 -3.66369 -21.8243 11.0861 15.2921 9.2997 18.3756 TIMING: 3510400 CPU: 11145.8, 0.00312761/step Wall: 11145.8, 0.00312761/step, 1.29414 hours remaining, 233.757812 MB of memory in use. ENERGY: 3510400 3976.5914 20543.7621 14457.6797 236.3197 -203345.5202 2447.7666 0.0000 0.0000 51663.4973 -110019.9035 296.9108 -161683.4008 -109677.3896 299.0240 -140.2225 -108.2196 759416.3609 15.9972 16.1288 PRESSURE: 3510600 185.526 -39.4544 389.561 -39.4544 -98.5087 106.32 389.561 106.32 46.2776 GPRESSURE: 3510600 237.965 -59.4076 300.908 101.421 -88.5796 47.5111 365.685 44.1478 83.3371 PRESSAVG: 3510600 17.6222 -28.798 46.9093 -28.798 -47.5579 -34.339 46.9092 -34.339 -4.71603 GPRESSAVG: 3510600 17.7942 -28.4604 45.6743 -26.3478 -48.4502 -35.1313 44.4527 -32.4937 -3.57555 TIMING: 3510600 CPU: 11146.4, 0.00311817/step Wall: 11146.4, 0.00311817/step, 1.29005 hours remaining, 233.757812 MB of memory in use. ENERGY: 3510600 3903.5859 20476.7894 14387.9959 227.3871 -203886.8266 2879.4522 0.0000 0.0000 51909.1466 -110102.4695 298.3226 -162011.6161 -109735.3301 297.9273 44.4317 77.5743 759218.3897 -11.5506 -11.4105 PRESSURE: 3510800 -203.082 48.3487 -48.0959 48.3478 -134.256 -116.059 -48.0967 -116.059 -2.97935 GPRESSURE: 3510800 -91.2792 -5.41527 -136.679 -23.7468 -187.682 -179.413 35.3746 -22.0893 33.9823 PRESSAVG: 3510800 67.6876 -36.6851 19.2327 -36.6851 -43.5577 -26.6196 19.2327 -26.6196 18.1383 GPRESSAVG: 3510800 67.902 -36.0986 20.2622 -38.1695 -42.572 -27.2841 20.5591 -25.3025 17.1675 TIMING: 3510800 CPU: 11147, 0.00313448/step Wall: 11147, 0.00313448/step, 1.29663 hours remaining, 233.757812 MB of memory in use. ENERGY: 3510800 3951.7425 20444.4703 14458.2395 245.9372 -203333.6121 2468.9321 0.0000 0.0000 51852.1499 -109912.1406 297.9950 -161764.2905 -109544.2468 298.0853 -113.4391 -81.6595 759583.5883 14.0894 14.1658 PRESSURE: 3511000 -106.478 -33.5665 58.6412 -33.5665 72.7922 62.7268 58.6409 62.7247 -104.305 GPRESSURE: 3511000 -52.5345 25.1426 64.4042 -166.121 77.0854 13.5366 84.9976 -1.41473 -82.5333 PRESSAVG: 3511000 31.8904 -54.5415 22.0675 -54.5415 -50.3951 16.1279 22.0675 16.1278 3.34488 GPRESSAVG: 3511000 31.8034 -53.1031 21.8962 -55.271 -50.5603 18.227 21.609 16.001 3.37655 TIMING: 3511000 CPU: 11147.6, 0.00310246/step Wall: 11147.6, 0.00310246/step, 1.28321 hours remaining, 233.757812 MB of memory in use. ENERGY: 3511000 4009.5000 20604.9559 14459.6944 243.7263 -203696.1515 2825.7528 0.0000 0.0000 51804.4882 -109748.0340 297.7211 -161552.5221 -109393.9910 298.7914 -45.9969 -19.3275 760083.7097 -5.0533 -5.1268 PRESSURE: 3511200 -109.777 44.4005 26.6445 44.4011 -131.299 127.584 26.6446 127.583 152.646 GPRESSURE: 3511200 -128.634 108.431 77.9217 176.092 -5.66086 131.583 74.8356 115.247 142.171 PRESSAVG: 3511200 49.5452 4.15348 17.4908 4.15347 30.6781 -27.3102 17.4907 -27.3102 -1.80959 GPRESSAVG: 3511200 50.6148 3.3454 17.9924 3.88182 30.2913 -26.7692 21.342 -28.3014 -2.44056 TIMING: 3511200 CPU: 11148.3, 0.00311285/step Wall: 11148.3, 0.00311285/step, 1.28733 hours remaining, 233.757812 MB of memory in use. ENERGY: 3511200 3997.7741 20449.3572 14463.1853 272.1792 -203233.8458 2378.8224 0.0000 0.0000 51833.1534 -109839.3742 297.8858 -161672.5275 -109469.8616 298.8192 -29.4766 2.6256 758808.3054 26.1379 26.1552 PRESSURE: 3511400 -1.4539 -89.0368 155.963 -89.0362 -16.7024 -162.717 155.965 -162.716 241.475 GPRESSURE: 3511400 82.9984 -56.2807 157.085 -63.8519 9.59179 -206.599 101.472 -40.2345 234.07 PRESSAVG: 3511400 64.7104 -29.9456 -26.197 -29.9456 -30.1761 -6.20138 -26.197 -6.20143 11.8744 GPRESSAVG: 3511400 63.9275 -30.8069 -24.9959 -28.9524 -29.1251 -6.04682 -29.3957 -6.26412 11.9195 TIMING: 3511400 CPU: 11148.9, 0.00311743/step Wall: 11148.9, 0.00311743/step, 1.28906 hours remaining, 233.757812 MB of memory in use. ENERGY: 3511400 4018.6063 20354.5618 14455.0168 246.4938 -203701.6800 2550.9721 0.0000 0.0000 52334.1687 -109741.8605 300.7652 -162076.0292 -109375.5182 298.3883 74.4396 108.8866 758276.2341 15.4696 15.5740 PRESSURE: 3511600 163.23 -134.579 85.2764 -134.579 77.6888 -131.715 85.2768 -131.713 95.1658 GPRESSURE: 3511600 131.033 -159.388 151.472 -58.4342 63.5882 -135.505 156.236 -300.557 230.363 PRESSAVG: 3511600 -27.376 -36.5325 26.0855 -36.5325 13.2462 -3.12377 26.0855 -3.1237 35.1327 GPRESSAVG: 3511600 -29.5071 -35.7993 24.5992 -34.9344 14.4408 -3.96091 25.3675 -2.91122 36.2722 TIMING: 3511600 CPU: 11149.5, 0.00312216/step Wall: 11149.5, 0.00312216/step, 1.29084 hours remaining, 233.757812 MB of memory in use. ENERGY: 3511600 3929.7327 20492.7761 14443.9225 238.3889 -203714.0083 2845.4249 0.0000 0.0000 52112.6780 -109651.0852 299.4923 -161763.7632 -109280.7290 298.6906 112.0281 141.6616 760199.3878 7.0010 7.0686 PRESSURE: 3511800 -332.199 -71.4268 -39.2123 -71.4271 93.4223 -26.3055 -39.2122 -26.3053 90.5881 GPRESSURE: 3511800 -264.297 35.2915 -59.8534 -179.693 84.9999 50.4924 -134.522 -93.3431 117.93 PRESSAVG: 3511800 -36.4279 -15.6461 -33.5141 -15.6461 33.7338 -38.2902 -33.5141 -38.2901 -25.1457 GPRESSAVG: 3511800 -36.0731 -16.7154 -34.2569 -17.0746 33.8563 -38.36 -31.5094 -38.5478 -25.6742 TIMING: 3511800 CPU: 11150.1, 0.00311045/step Wall: 11150.1, 0.00311045/step, 1.28582 hours remaining, 233.757812 MB of memory in use. ENERGY: 3511800 3959.1103 20632.3729 14405.7105 255.4027 -203640.5451 2747.4068 0.0000 0.0000 52110.7420 -109529.7999 299.4812 -161640.5419 -109165.6351 299.5801 -49.3963 -20.4558 760243.9998 -9.2799 -9.2970 PRESSURE: 3512000 214.464 108.012 -387.255 108.013 -118.392 -32.3289 -387.255 -32.3288 38.4299 GPRESSURE: 3512000 240.479 -46.6083 -418.988 206.5 -63.3656 -30.3511 -503.359 -103.135 47.8991 PRESSAVG: 3512000 -38.7216 24.8353 -58.6453 24.8353 24.3463 -8.78562 -58.6453 -8.78561 29.4484 GPRESSAVG: 3512000 -37.1849 24.0433 -58.7906 26.4057 22.4599 -10.5856 -61.6283 -8.40189 29.68 TIMING: 3512000 CPU: 11150.8, 0.00312357/step Wall: 11150.8, 0.00312357/step, 1.29107 hours remaining, 233.757812 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: 3512000 3944.0764 20499.4478 14458.6247 243.4426 -203528.0853 2752.6396 0.0000 0.0000 52133.1458 -109496.7084 299.6099 -161629.8542 -109135.4737 299.4191 44.8340 75.0043 760133.8932 5.0244 4.9850 PRESSURE: 3512200 -439.164 -194.97 5.21002 -194.969 -491.696 -90.5359 5.20896 -90.5351 -324.646 GPRESSURE: 3512200 -396.866 -130.779 18.3863 -144.009 -371.401 -84.5349 124.978 -31.783 -382.624 PRESSAVG: 3512200 2.52883 -2.35656 -44.5281 -2.35648 -10.5672 -10.7659 -44.5281 -10.7658 12.3752 GPRESSAVG: 3512200 1.13919 -3.26857 -44.5668 -2.72446 -8.61405 -9.98467 -39.7849 -10.6786 11.7563 TIMING: 3512200 CPU: 11151.4, 0.00310976/step Wall: 11151.4, 0.00310976/step, 1.28519 hours remaining, 233.757812 MB of memory in use. ENERGY: 3512200 3959.7271 20400.4762 14558.7445 251.2644 -203000.9902 2511.1447 0.0000 0.0000 51850.8818 -109468.7515 297.9877 -161319.6333 -109099.8028 299.3207 -418.5020 -383.6304 763978.3565 1.4456 1.4272 LDB: ============= START OF LOAD BALANCING ============== 11163.8 LDB: ============== END OF LOAD BALANCING =============== 11163.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11163.8 LDB: ============= START OF LOAD BALANCING ============== 11164.1 LDB: Largest compute 7070 load 0.030901 is 15.8% of average load 0.195614 LDB: Average compute 0.004376 is 2.2% of average load 0.195614 LDB: TIME 11164.1 LOAD: AVG 0.195614 MAX 0.214298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.301 MB LDB: TIME 11164.1 LOAD: AVG 0.195614 MAX 0.214298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: TIME 11164.1 LOAD: AVG 0.195614 MAX 0.214298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: ============== END OF LOAD BALANCING =============== 11164.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11164.1 PRESSURE: 3512400 177.491 39.5933 44.2123 39.5938 -152.653 -3.58003 44.2125 -3.58041 134.394 GPRESSURE: 3512400 198.123 24.2382 83.1726 64.9965 -123.757 -24.4261 -17.0786 0.728903 164.228 PRESSAVG: 3512400 -15.5542 -22.1762 11.155 -22.1763 9.11811 -19.9048 11.155 -19.9048 -6.03484 GPRESSAVG: 3512400 -14.3839 -19.6189 11.5823 -23.5193 8.30485 -19.3509 8.41706 -19.5558 -6.38837 TIMING: 3512400 CPU: 11152, 0.00317734/step Wall: 11152, 0.00317734/step, 1.31295 hours remaining, 234.335938 MB of memory in use. ENERGY: 3512400 3959.2204 20685.6542 14506.9340 262.6658 -203211.5634 2567.7591 0.0000 0.0000 51738.7289 -109490.6009 297.3432 -161229.3298 -109138.8243 299.2926 53.0776 79.5314 761205.3017 -4.1570 -4.1558 PRESSURE: 3512600 -32.2138 -87.1561 -122.475 -87.1563 173.306 123.804 -122.475 123.803 58.6731 GPRESSURE: 3512600 65.8882 -104.825 -223.436 -88.9444 229.834 83.1858 -170.214 62.5342 7.93671 PRESSAVG: 3512600 -53.0636 -32.4071 41.581 -32.4071 50.9215 -26.6451 41.581 -26.6452 -9.66129 GPRESSAVG: 3512600 -52.7652 -34.0704 40.5825 -32.324 50.2308 -26.6324 40.6396 -28.0117 -9.44929 TIMING: 3512600 CPU: 11152.6, 0.00311643/step Wall: 11152.6, 0.00311644/step, 1.28761 hours remaining, 234.335938 MB of memory in use. ENERGY: 3512600 3921.4049 20561.5249 14440.1733 229.6617 -203478.6241 2403.9833 0.0000 0.0000 52245.8699 -109676.0061 300.2577 -161921.8760 -109313.7718 298.8325 66.5885 101.2197 760449.7555 -3.9345 -3.9946 PRESSURE: 3512800 -83.3595 170.252 -125.858 170.251 138.434 -82.2516 -125.858 -82.2518 -302.22 GPRESSURE: 3512800 -31.6222 152.859 -143.482 130.35 147.506 -49.4597 84.3448 -108.85 -269.457 PRESSAVG: 3512800 5.45911 -11.5013 -31.8625 -11.5013 4.31622 -19.4028 -31.8625 -19.4027 -1.61178 GPRESSAVG: 3512800 5.63169 -10.1407 -30.0411 -12.498 5.08128 -18.9889 -28.6144 -19.6356 -2.19729 TIMING: 3512800 CPU: 11153.3, 0.00312238/step Wall: 11153.3, 0.00312238/step, 1.28989 hours remaining, 234.796875 MB of memory in use. ENERGY: 3512800 3993.0887 20382.6026 14531.3014 267.1647 -203634.8227 2710.3646 0.0000 0.0000 52042.2164 -109708.0842 299.0873 -161750.3006 -109343.7055 299.1185 -82.3819 -51.1909 761041.9574 2.7212 2.8386 PRESSURE: 3513000 293.604 91.0162 -154.917 91.016 -163.173 94.389 -154.917 94.3901 161.681 GPRESSURE: 3513000 216.641 -33.3658 -201.926 21.7698 -76.0082 97.4818 -43.6591 144.014 236.083 PRESSAVG: 3513000 -0.9132 9.9779 29.4479 9.97792 -7.72933 -49.348 29.4478 -49.3481 -15.2349 GPRESSAVG: 3513000 -2.30529 9.97923 29.6867 10.8221 -7.89696 -50.0493 29.652 -47.7743 -14.3461 TIMING: 3513000 CPU: 11153.9, 0.00312296/step Wall: 11153.9, 0.00312296/step, 1.28995 hours remaining, 234.796875 MB of memory in use. ENERGY: 3513000 3940.5072 20540.9116 14466.2577 241.6937 -203707.1302 2677.2030 0.0000 0.0000 51776.8137 -110063.7432 297.5621 -161840.5569 -109711.3839 298.0605 97.3708 125.5719 762953.2333 -7.9591 -8.1828 PRESSURE: 3513200 2.3814 18.2354 14.0561 18.2361 -228.846 -42.2549 14.0558 -42.2555 53.1198 GPRESSURE: 3513200 108.436 -43.3518 -28.0966 44.9423 -238.749 25.5101 62.4294 -72.0096 33.8481 PRESSAVG: 3513200 -3.95588 -14.527 8.8954 -14.527 -37.4597 0.612807 8.89543 0.612739 12.652 GPRESSAVG: 3513200 -1.39123 -16.4313 8.65101 -15.151 -38.8023 1.09176 7.56331 2.64843 11.2245 TIMING: 3513200 CPU: 11154.5, 0.00312026/step Wall: 11154.5, 0.00312026/step, 1.28867 hours remaining, 234.796875 MB of memory in use. ENERGY: 3513200 3973.3829 20479.0031 14451.2340 248.0978 -203603.1933 2834.7944 0.0000 0.0000 51644.2592 -109972.4220 296.8003 -161616.6812 -109601.5411 297.6551 -57.7817 -32.1551 762128.0774 -9.5879 -9.6564 PRESSURE: 3513400 -290.956 -61.1237 159.659 -61.1236 -154.15 -34.4101 159.659 -34.4111 -423.24 GPRESSURE: 3513400 -218.803 51.0198 147.254 -27.9433 -92.292 15.6395 -1.74471 -22.5485 -464.333 PRESSAVG: 3513400 27.0981 -25.8885 7.33014 -25.8884 1.28857 -45.9309 7.33019 -45.9309 -6.98668 GPRESSAVG: 3513400 26.3874 -22.6074 5.7084 -27.7788 0.816848 -47.4198 6.98599 -47.4174 -5.14725 TIMING: 3513400 CPU: 11155.1, 0.00312611/step Wall: 11155.1, 0.00312611/step, 1.29091 hours remaining, 234.796875 MB of memory in use. ENERGY: 3513400 4037.5558 20489.7798 14518.9592 245.4466 -203613.5329 2568.5225 0.0000 0.0000 51983.1489 -109770.1201 298.7479 -161753.2689 -109409.2639 298.1405 -289.4485 -258.4761 761497.8783 7.1333 7.3523 PRESSURE: 3513600 -239.845 12.2324 9.28801 12.2315 103.003 15.1191 9.28749 15.1187 -87.5212 GPRESSURE: 3513600 -87.8355 32.9229 126.692 11.0885 69.7319 4.82323 -116.845 -19.7111 -124.833 PRESSAVG: 3513600 -5.22925 -30.688 45.0455 -30.688 -1.85549 18.1529 45.0456 18.1529 -4.07923 GPRESSAVG: 3513600 -5.37445 -32.571 45.8436 -28.282 -0.789276 20.6054 43.5614 17.4195 -4.93372 TIMING: 3513600 CPU: 11155.8, 0.00314579/step Wall: 11155.8, 0.00314579/step, 1.29886 hours remaining, 234.796875 MB of memory in use. ENERGY: 3513600 4001.7719 20428.1941 14441.3600 247.2603 -203394.1547 2651.1273 0.0000 0.0000 51740.4667 -109883.9745 297.3532 -161624.4412 -109522.1326 298.4008 -74.7877 -47.6457 761409.8542 -3.7213 -3.6991 PRESSURE: 3513800 73.0294 -75.2551 -167.51 -75.2554 -279.653 21.9717 -167.51 21.9725 -197.923 GPRESSURE: 3513800 90.5003 -207.376 -204.575 -118.717 -316.345 -11.7931 -98.7873 6.4956 -81.7976 PRESSAVG: 3513800 58.1221 -26.6589 9.53724 -26.6589 -9.1825 2.5652 9.53718 2.56522 -12.6635 GPRESSAVG: 3513800 57.4432 -27.2802 9.38454 -25.5767 -10.8061 1.44891 13.5743 2.91382 -11.0743 TIMING: 3513800 CPU: 11156.4, 0.00314474/step Wall: 11156.4, 0.00314474/step, 1.29825 hours remaining, 234.796875 MB of memory in use. ENERGY: 3513800 4022.5249 20267.8145 14486.1941 255.3595 -203171.0752 2424.7104 0.0000 0.0000 51780.5429 -109933.9289 297.5835 -161714.4718 -109567.5909 298.1820 -134.8487 -102.5476 760987.5466 12.0920 11.8543 PRESSURE: 3514000 -99.0715 72.2357 -124.208 72.2359 82.029 167.421 -124.208 167.421 -393.131 GPRESSURE: 3514000 -9.45614 -30.4941 -136.52 64.3622 161.61 179.532 -157.783 89.1723 -452.972 PRESSAVG: 3514000 89.1482 1.58336 0.19568 1.58339 -44.3389 45.0516 0.195679 45.0515 16.5347 GPRESSAVG: 3514000 89.1801 -0.0271174 1.57711 1.06523 -41.9648 43.5277 -1.89333 46.1762 14.2918 TIMING: 3514000 CPU: 11157, 0.00311962/step Wall: 11157, 0.00311962/step, 1.28771 hours remaining, 234.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3514000 3977.2412 20455.2333 14381.1042 260.2482 -203445.7637 2489.1980 0.0000 0.0000 51906.4896 -109976.2491 298.3073 -161882.7387 -109611.2592 297.9219 -136.7245 -100.2727 761548.3302 20.4480 20.5024 PRESSURE: 3514200 -214.572 23.0245 31.7679 23.0238 28.2803 -188.253 31.7671 -188.253 -295.897 GPRESSURE: 3514200 -227.638 59.2123 -8.82837 47.3523 49.5666 -182.371 90.7287 -148.296 -215.34 PRESSAVG: 3514200 -8.63657 15.4633 12.4995 15.4634 -19.0967 29.7548 12.4994 29.7548 1.62915 GPRESSAVG: 3514200 -8.85099 17.2792 12.0091 12.4238 -18.991 30.6996 11.8148 27.1494 1.61413 TIMING: 3514200 CPU: 11157.6, 0.00311804/step Wall: 11157.6, 0.00311804/step, 1.28688 hours remaining, 234.796875 MB of memory in use. ENERGY: 3514200 3997.7500 20474.8483 14455.6212 246.3973 -203867.9360 2627.9847 0.0000 0.0000 51918.5800 -110146.7545 298.3768 -162065.3344 -109782.6997 298.1087 -160.7294 -131.1371 762075.0689 -8.7014 -8.7426 PRESSURE: 3514400 398.811 -37.6914 -95.193 -37.6915 -192.486 -200.07 -95.1932 -200.071 452.42 GPRESSURE: 3514400 379.986 -3.70283 -192.607 -73.8263 -106.401 -223.219 -7.28122 -211.653 476.605 PRESSAVG: 3514400 -47.9818 -5.42738 -36.8931 -5.42736 46.0619 25.7617 -36.8931 25.7618 -6.87505 GPRESSAVG: 3514400 -46.9021 -5.3605 -37.4464 -4.80333 44.8535 26.8004 -35.8885 23.7425 -6.65112 TIMING: 3514400 CPU: 11158.3, 0.0031404/step Wall: 11158.3, 0.0031404/step, 1.29594 hours remaining, 234.796875 MB of memory in use. ENERGY: 3514400 3967.8725 20513.1815 14525.0726 239.7457 -203718.6831 2602.6471 0.0000 0.0000 52145.6723 -109724.4914 299.6819 -161870.1637 -109363.1228 298.5032 219.5816 250.0633 761105.2821 -2.9316 -2.8999 PRESSURE: 3514600 -188.56 -230.044 -5.59226 -230.043 -264.395 -83.9639 -5.59215 -83.9639 218.529 GPRESSURE: 3514600 -208 -172.615 -85.9947 -193.078 -129.225 -37.586 60.0551 -82.5155 173.725 PRESSAVG: 3514600 -15.4624 -7.65715 -34.7179 -7.6572 -24.5693 -19.5272 -34.7178 -19.5273 -21.1779 GPRESSAVG: 3514600 -15.6537 -6.25157 -35.5351 -7.77311 -24.6825 -19.7703 -35.7361 -15.7434 -21.2363 TIMING: 3514600 CPU: 11158.9, 0.00313361/step Wall: 11158.9, 0.00313361/step, 1.29296 hours remaining, 234.796875 MB of memory in use. ENERGY: 3514600 4034.2439 20663.4549 14598.9498 264.7314 -203887.5727 2731.6071 0.0000 0.0000 51859.3935 -109735.1921 298.0366 -161594.5856 -109380.5059 298.4082 -78.1419 -54.4998 761678.8555 -20.4032 -20.5242 PRESSURE: 3514800 288.942 77.8245 47.4104 77.8239 116.911 103.491 47.41 103.492 149.682 GPRESSURE: 3514800 282.939 4.22046 77.7023 92.7946 146.596 58.9588 93.5747 1.68158 204.089 PRESSAVG: 3514800 32.9376 -74.1688 1.8047 -74.1688 34.3617 58.8938 1.80473 58.8937 -2.44994 GPRESSAVG: 3514800 32.1284 -73.7498 3.95083 -73.7551 34.4281 59.279 1.72523 56.8837 -2.32324 TIMING: 3514800 CPU: 11159.5, 0.00313435/step Wall: 11159.5, 0.00313435/step, 1.29309 hours remaining, 234.796875 MB of memory in use. ENERGY: 3514800 3886.9379 20237.7583 14515.4571 258.5069 -203355.0182 2560.9317 0.0000 0.0000 52046.3634 -109849.0629 299.1112 -161895.4262 -109484.6897 298.4881 185.1785 211.2083 761906.5104 21.6165 21.4111 PRESSURE: 3515000 -317.164 114.401 -14.5199 114.401 -180.727 28.4039 -14.5198 28.4029 178.716 GPRESSURE: 3515000 -248.77 27.9029 -74.0499 -39.0642 -112.274 57.557 -75.9656 101.764 117.176 PRESSAVG: 3515000 -59.9794 33.1219 13.9817 33.1219 16.6621 21.1884 13.9817 21.1884 -36.5712 GPRESSAVG: 3515000 -60.0678 32.0021 13.3949 32.6718 17.1037 20.6659 13.8315 21.3682 -36.8054 TIMING: 3515000 CPU: 11160.1, 0.0031354/step Wall: 11160.1, 0.0031354/step, 1.29335 hours remaining, 234.796875 MB of memory in use. ENERGY: 3515000 3970.8198 20386.4469 14411.5292 240.4428 -203105.1365 2442.0584 0.0000 0.0000 51727.5650 -109926.2743 297.2790 -161653.8393 -109564.1360 298.1548 -106.3917 -81.2891 761496.8706 -26.6295 -26.5899 PRESSURE: 3515200 27.155 71.7408 -28.915 71.7403 51.3583 -174.212 -28.9153 -174.21 427.324 GPRESSURE: 3515200 108.065 86.3763 31.8197 193.431 61.577 -214.937 -97.0705 -248.358 403.283 PRESSAVG: 3515200 48.1522 9.8772 17.6896 9.87718 -21.5473 6.70624 17.6896 6.70631 34.191 GPRESSAVG: 3515200 49.6548 10.8418 17.4028 10.0961 -22.8571 5.56964 19.2983 8.19271 33.7671 TIMING: 3515200 CPU: 11160.8, 0.00312783/step Wall: 11160.8, 0.00312783/step, 1.29006 hours remaining, 234.796875 MB of memory in use. ENERGY: 3515200 3971.7924 20425.4565 14439.3206 247.1987 -203749.4987 2824.3834 0.0000 0.0000 51825.2784 -110016.0686 297.8406 -161841.3470 -109653.0846 297.8745 168.6125 190.9751 760149.9745 20.2653 20.1883 PRESSURE: 3515400 381.871 140.933 -167.836 140.934 -95.0939 -9.24431 -167.835 -9.24434 477.159 GPRESSURE: 3515400 338.479 176.665 -90.9422 140.279 -17.8561 -61.1591 -104.382 105.25 521.966 PRESSAVG: 3515400 52.1687 -23.824 -22.1356 -23.824 -59.0708 -4.62483 -22.1357 -4.6248 7.3063 GPRESSAVG: 3515400 50.6923 -25.9839 -21.7173 -23.8535 -60.2901 -3.0114 -23.1576 -6.60884 8.87825 TIMING: 3515400 CPU: 11161.4, 0.00312874/step Wall: 11161.4, 0.00312874/step, 1.29026 hours remaining, 234.796875 MB of memory in use. ENERGY: 3515400 3950.8078 20381.2426 14500.2422 231.6907 -203557.1551 2817.1384 0.0000 0.0000 51891.8276 -109784.2058 298.2230 -161676.0334 -109426.9723 298.1569 254.6453 280.8630 760685.8988 0.1347 -0.2399 PRESSURE: 3515600 -152.035 -108.812 -128.324 -108.813 -129.617 -30.5068 -128.323 -30.5078 -107.441 GPRESSURE: 3515600 -111.442 -193.146 -212.583 -99.934 -78.5325 -2.23188 -68.7401 -187.222 -110.756 PRESSAVG: 3515600 99.2107 -15.0054 -25.5834 -15.0054 -28.1998 -75.6557 -25.5834 -75.6557 -24.3951 GPRESSAVG: 3515600 99.6869 -12.1713 -24.2818 -16.9868 -27.1484 -76.1456 -25.5579 -75.1953 -26.2962 TIMING: 3515600 CPU: 11162, 0.00310385/step Wall: 11162, 0.00310385/step, 1.27982 hours remaining, 234.796875 MB of memory in use. ENERGY: 3515600 4031.0847 20534.1551 14438.5702 261.8417 -203189.6688 2371.3474 0.0000 0.0000 51938.5903 -109614.0794 298.4918 -161552.6697 -109253.2865 298.2438 -129.6977 -100.2436 760385.8447 15.5386 15.4141 PRESSURE: 3515800 26.8586 -131.087 -167.923 -131.087 -125.555 93.2753 -167.923 93.2767 172.635 GPRESSURE: 3515800 23.8649 -82.8452 -135.75 -150.396 -123.66 59.2822 -160.177 30.4488 281.4 PRESSAVG: 3515800 53.0585 -65.2617 19.753 -65.2617 -71.3927 -31.6443 19.753 -31.6442 2.0687 GPRESSAVG: 3515800 52.7492 -64.3677 16.7027 -63.2532 -71.5397 -32.4491 19.4312 -30.1177 2.57037 TIMING: 3515800 CPU: 11162.6, 0.00312261/step Wall: 11162.6, 0.00312261/step, 1.28738 hours remaining, 234.796875 MB of memory in use. ENERGY: 3515800 3998.1713 20317.9373 14460.1734 246.3756 -203520.2812 2628.7067 0.0000 0.0000 52248.6321 -109620.2848 300.2736 -161868.9169 -109262.6151 298.7170 24.6461 60.5349 761200.3879 -5.4218 -5.4067 PRESSURE: 3516000 270.162 106.585 -219.893 106.586 -276.864 -24.8926 -219.892 -24.8919 82.1909 GPRESSURE: 3516000 242.204 149.971 -167.551 123.36 -95.487 -39.3504 -122.075 112.985 21.2319 PRESSAVG: 3516000 36.6865 -31.7948 12.5839 -31.7949 -22.5045 59.1466 12.5839 59.1466 3.6538 GPRESSAVG: 3516000 36.1822 -34.8444 13.883 -29.7561 -21.4385 57.3791 12.4879 60.1863 3.28182 TIMING: 3516000 CPU: 11163.3, 0.00312008/step Wall: 11163.3, 0.00312008/step, 1.28617 hours remaining, 234.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3516000 4011.9082 20465.1925 14501.9159 236.4633 -203583.7789 2755.2617 0.0000 0.0000 52092.0384 -109520.9988 299.3737 -161613.0372 -109154.6289 299.7499 25.1629 55.9828 762892.7756 5.9453 6.0085 PRESSURE: 3516200 47.4191 107.04 8.68789 107.041 -200.18 -301.921 8.68851 -301.922 26.3407 GPRESSURE: 3516200 71.9918 145.044 -72.7757 80.5164 -136.595 -330.551 15.6225 -206.281 37.2611 PRESSAVG: 3516200 77.3919 5.09056 3.66916 5.09056 -39.2591 -47.8673 3.66914 -47.8674 -32.0823 GPRESSAVG: 3516200 77.5179 5.87486 2.60952 2.35655 -40.0369 -47.5253 5.82899 -50.3844 -31.1613 TIMING: 3516200 CPU: 11163.9, 0.00311789/step Wall: 11163.9, 0.00311789/step, 1.28509 hours remaining, 234.796875 MB of memory in use. ENERGY: 3516200 3963.2865 20440.1605 14473.7090 247.7589 -202918.1868 2381.6475 0.0000 0.0000 51781.7922 -109629.8323 297.5907 -161411.6244 -109263.1006 298.6305 -42.1401 -9.1142 762189.5051 2.0168 2.1065 LDB: ============= START OF LOAD BALANCING ============== 11176.3 LDB: ============== END OF LOAD BALANCING =============== 11176.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11176.3 LDB: ============= START OF LOAD BALANCING ============== 11176.6 LDB: Largest compute 7068 load 0.030422 is 15.5% of average load 0.195690 LDB: Average compute 0.004370 is 2.2% of average load 0.195690 LDB: TIME 11176.6 LOAD: AVG 0.19569 MAX 0.214305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 11176.6 LOAD: AVG 0.19569 MAX 0.214305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: TIME 11176.6 LOAD: AVG 0.19569 MAX 0.214305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: ============== END OF LOAD BALANCING =============== 11176.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11176.6 PRESSURE: 3516400 -198.207 -72.296 -173.14 -72.2957 -178.663 -89.418 -173.141 -89.4182 -53.5343 GPRESSURE: 3516400 -213.626 -85.9914 -119.945 -1.8918 -139.347 -71.7036 -223.112 -143.309 4.80635 PRESSAVG: 3516400 25.6892 -37.6144 1.90105 -37.6143 -76.9998 -22.7365 1.90104 -22.7365 -0.970221 GPRESSAVG: 3516400 26.0619 -38.7952 4.46624 -36.3673 -77.148 -21.9941 -1.89844 -22.5648 -1.08254 TIMING: 3516400 CPU: 11164.5, 0.00318729/step Wall: 11164.5, 0.00318729/step, 1.31352 hours remaining, 232.925781 MB of memory in use. ENERGY: 3516400 4018.0638 20642.0819 14496.9836 237.8760 -203268.3813 2471.4084 0.0000 0.0000 51662.6124 -109739.3552 296.9057 -161401.9677 -109379.8780 297.9435 -143.4680 -116.0559 762351.5265 -17.4269 -17.3895 PRESSURE: 3516600 -81.4955 101.77 273.578 101.77 -163.619 -26.5172 273.578 -26.5176 -452.878 GPRESSURE: 3516600 -0.131861 43.3204 285.825 145.6 -146.758 -48.5339 129.905 -52.9019 -451.909 PRESSAVG: 3516600 50.1326 -5.17521 31.3313 -5.17525 -69.4597 16.609 31.3314 16.609 13.9715 GPRESSAVG: 3516600 50.8693 -5.22775 30.0538 -4.80214 -70.3079 17.6397 33.6761 15.3304 13.4825 TIMING: 3516600 CPU: 11165.2, 0.00311798/step Wall: 11165.2, 0.00311798/step, 1.28478 hours remaining, 233.125000 MB of memory in use. ENERGY: 3516600 4001.6624 20542.9006 14483.4719 224.3690 -203094.2829 2195.9531 0.0000 0.0000 51868.7850 -109777.1409 298.0906 -161645.9258 -109413.4614 298.5884 -232.6641 -199.5998 761735.7172 -1.7852 -1.9854 PRESSURE: 3516800 435.926 -13.2736 210.022 -13.2732 -12.0921 -6.26388 210.021 -6.26286 -154.789 GPRESSURE: 3516800 403.91 21.5583 156.463 -78.8876 147.516 8.50999 210.038 -37.3335 -194.531 PRESSAVG: 3516800 68.6746 -16.8932 35.2725 -16.8932 -36.2773 6.30195 35.2725 6.30197 -5.17919 GPRESSAVG: 3516800 68.1884 -17.4848 35.4334 -14.3514 -34.2408 5.48669 35.5421 5.81719 -6.68601 TIMING: 3516800 CPU: 11165.8, 0.00311607/step Wall: 11165.8, 0.00311607/step, 1.28382 hours remaining, 233.125000 MB of memory in use. ENERGY: 3516800 3906.1695 20461.4889 14454.5382 253.7481 -203911.1100 2898.2396 0.0000 0.0000 51945.6421 -109991.2836 298.5323 -161936.9257 -109628.4002 298.2346 89.6818 118.9650 760826.5262 9.0727 9.0872 PRESSURE: 3517000 128.774 -120.436 -225.03 -120.436 -255.576 -141.883 -225.03 -141.883 145.119 GPRESSURE: 3517000 193.248 -159.822 -215.614 -146.839 -222.314 -87.2612 -277.659 -65.7814 127.952 PRESSAVG: 3517000 63.8398 -67.52 6.04724 -67.52 -65.5315 -12.5031 6.04726 -12.5031 -32.6509 GPRESSAVG: 3517000 63.4879 -64.6021 4.46989 -72.0074 -67.8612 -11.8851 4.2866 -11.9977 -30.5643 TIMING: 3517000 CPU: 11166.4, 0.00312166/step Wall: 11166.4, 0.00312166/step, 1.28595 hours remaining, 233.125000 MB of memory in use. ENERGY: 3517000 3948.6003 20442.9669 14410.1239 242.9506 -203402.1938 2487.6068 0.0000 0.0000 51919.0158 -109950.9296 298.3793 -161869.9454 -109580.5389 298.1585 6.1056 32.9622 762156.6298 -11.4475 -11.6459 PRESSURE: 3517200 55.2351 12.5435 -135.462 12.544 107.198 17.702 -135.461 17.7035 -220.9 GPRESSURE: 3517200 131.621 22.1338 -123.486 -27.1896 53.6821 6.78299 -52.3591 36.9052 -160.365 PRESSAVG: 3517200 62.4976 -2.13933 -26.8111 -2.1393 -6.72909 -52.5596 -26.8111 -52.5596 22.5634 GPRESSAVG: 3517200 63.2102 -3.89593 -26.8988 -2.4308 -6.80937 -52.0578 -23.89 -52.7555 21.5785 TIMING: 3517200 CPU: 11167, 0.00312072/step Wall: 11167, 0.00312072/step, 1.28539 hours remaining, 233.125000 MB of memory in use. ENERGY: 3517200 4016.1487 20499.9600 14457.1073 223.7492 -203710.2759 2800.3434 0.0000 0.0000 51980.2226 -109732.7447 298.7311 -161712.9673 -109373.7716 298.3708 -19.4890 8.3128 762564.9924 26.1107 25.9931 PRESSURE: 3517400 74.7233 -170.195 80.1125 -170.194 -183.105 -24.8112 80.1119 -24.8104 101.939 GPRESSURE: 3517400 124.816 -69.8158 172.085 -222.609 -137.367 -13.7559 146.588 42.6251 85.8912 PRESSAVG: 3517400 -0.715755 20.4107 28.6262 20.4107 24.7281 3.12964 28.6262 3.12971 15.5875 GPRESSAVG: 3517400 -1.46243 23.0839 29.89 20.5677 25.167 2.78553 26.1685 5.65449 15.4744 TIMING: 3517400 CPU: 11167.6, 0.0031202/step Wall: 11167.6, 0.0031202/step, 1.285 hours remaining, 233.125000 MB of memory in use. ENERGY: 3517400 3984.2835 20451.9410 14536.6693 222.5414 -203091.5677 2239.2304 0.0000 0.0000 51941.2880 -109715.6142 298.5073 -161656.9022 -109357.4426 298.6993 -2.1474 24.4466 763233.8938 13.2000 13.0597 PRESSURE: 3517600 101.884 127.265 142.261 127.265 -264.739 56.3428 142.261 56.343 215.796 GPRESSURE: 3517600 88.7179 120.711 266.581 132.896 -68.8626 76.188 33.9168 70.0808 137.662 PRESSAVG: 3517600 -28.5629 -46.0458 49.9143 -46.0458 35.9414 42.1707 49.9143 42.1706 13.2152 GPRESSAVG: 3517600 -28.8087 -47.609 49.2879 -43.9361 36.3706 41.471 51.1556 40.2218 13.1962 TIMING: 3517600 CPU: 11168.3, 0.0031046/step Wall: 11168.3, 0.0031046/step, 1.27841 hours remaining, 233.125000 MB of memory in use. ENERGY: 3517600 3967.1591 20264.3679 14488.3880 246.1326 -203492.6217 2831.0916 0.0000 0.0000 52099.2825 -109596.2002 299.4153 -161695.4827 -109231.9454 298.5849 17.6469 52.5058 761809.8344 6.8646 6.9194 PRESSURE: 3517800 203.282 -23.0949 179.265 -23.0952 -117.225 -43.683 179.265 -43.6819 159.538 GPRESSURE: 3517800 170.004 -78.1799 170.521 -94.9004 -3.97391 -77.3835 54.8562 -51.5796 156.528 PRESSAVG: 3517800 9.70106 -28.8793 22.5077 -28.8793 -8.554 -58.5682 22.5078 -58.5681 -14.4515 GPRESSAVG: 3517800 9.9145 -27.1711 23.4466 -29.9329 -9.99411 -58.378 19.7386 -56.3282 -13.2001 TIMING: 3517800 CPU: 11168.9, 0.00310701/step Wall: 11168.9, 0.00310701/step, 1.27922 hours remaining, 233.125000 MB of memory in use. ENERGY: 3517800 3937.5177 20467.8877 14495.8355 240.6785 -203148.6233 2672.1144 0.0000 0.0000 51825.7227 -109508.8668 297.8431 -161334.5895 -109141.4493 299.2486 81.8651 107.5195 764024.5059 -4.4348 -4.4266 PRESSURE: 3518000 -277.511 -31.059 -78.9678 -31.0584 -61.348 161.881 -78.9673 161.882 -288.884 GPRESSURE: 3518000 -275.709 -93.1756 -2.26591 -12.922 49.687 148.2 -128.747 27.885 -304.746 PRESSAVG: 3518000 -7.78512 -19.1995 -8.44368 -19.1994 21.9553 8.3914 -8.44368 8.39144 -2.32716 GPRESSAVG: 3518000 -8.74494 -20.8782 -8.73773 -17.9328 23.6732 8.40671 -4.48098 5.5965 -2.8632 TIMING: 3518000 CPU: 11169.5, 0.00310588/step Wall: 11169.5, 0.00310588/step, 1.27859 hours remaining, 233.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3518000 3949.5829 20207.2283 14484.3083 224.6610 -203111.2353 2553.6865 0.0000 0.0000 52078.5235 -109613.2447 299.2960 -161691.7682 -109254.9022 298.6933 -209.2479 -176.9228 764162.5576 3.9477 4.0217 PRESSURE: 3518200 -68.4703 -80.5785 286.174 -80.5784 1.01789 28.0977 286.173 28.0968 -174.437 GPRESSURE: 3518200 29.4057 -37.2697 179.919 -156.39 -44.9347 133.52 359.249 -6.98761 -153.998 PRESSAVG: 3518200 -4.82099 -11.3121 64.8566 -11.312 -23.2569 10.4755 64.8566 10.4756 8.10737 GPRESSAVG: 3518200 -4.59523 -9.21587 63.4111 -11.1642 -23.7143 11.9713 63.2424 9.50508 8.39145 TIMING: 3518200 CPU: 11170.1, 0.00310475/step Wall: 11170.1, 0.00310475/step, 1.27795 hours remaining, 233.125000 MB of memory in use. ENERGY: 3518200 3927.3377 20377.8671 14510.9127 238.4828 -203308.0222 2765.8329 0.0000 0.0000 52160.9003 -109326.6888 299.7694 -161487.5891 -108961.6793 299.3187 -80.6297 -56.5091 762352.2310 -6.6569 -6.6394 PRESSURE: 3518400 -352.833 135.015 -121.015 135.014 -209.505 -145.726 -121.015 -145.726 -218.504 GPRESSURE: 3518400 -330.857 73.5421 -60.5581 144.644 -161.532 -186.399 60.9743 -103.561 -206.659 PRESSAVG: 3518400 -21.4112 -73.0309 39.6251 -73.031 63.2439 -11.1806 39.6251 -11.1807 24.0276 GPRESSAVG: 3518400 -21.0602 -73.6144 40.5609 -74.1187 63.3485 -13.2425 41.0197 -9.03006 23.8407 TIMING: 3518400 CPU: 11170.8, 0.00310807/step Wall: 11170.8, 0.00310807/step, 1.27914 hours remaining, 233.125000 MB of memory in use. ENERGY: 3518400 3940.2886 20492.0855 14442.6425 253.2831 -202710.3623 2211.1613 0.0000 0.0000 51993.3925 -109377.5087 298.8067 -161370.9013 -109011.6336 299.1721 -260.2807 -233.0160 762410.1810 21.9534 22.0430 PRESSURE: 3518600 240.486 -172.13 -123.776 -172.132 -218.784 -178.702 -123.776 -178.702 -2.17886 GPRESSURE: 3518600 153.611 -178.015 -100.969 -123.402 -89.5121 -194.391 -63.2858 -123.24 47.7967 PRESSAVG: 3518600 -39.0717 -59.0595 10.92 -59.0595 41.0712 -38.3294 10.92 -38.3294 -10.4225 GPRESSAVG: 3518600 -39.9436 -59.9227 11.4066 -59.8401 42.0228 -37.3139 9.81838 -38.5501 -9.63678 TIMING: 3518600 CPU: 11171.4, 0.00311437/step Wall: 11171.4, 0.00311437/step, 1.28156 hours remaining, 233.125000 MB of memory in use. ENERGY: 3518600 3901.9136 20429.2600 14500.5364 231.2078 -203147.4713 2570.5211 0.0000 0.0000 52163.4127 -109350.6197 299.7838 -161514.0324 -108982.4944 298.8005 6.5078 37.2986 763326.3833 -2.8077 -2.5192 PRESSURE: 3518800 -106.773 12.8974 -80.0959 12.8969 -119.152 0.804224 -80.096 0.804736 -421.475 GPRESSURE: 3518800 -37.2282 -84.2298 -177.763 -52.5184 -178.107 -27.9773 -98.3931 100.423 -358.207 PRESSAVG: 3518800 -20.3636 -88.9227 -1.12516 -88.9227 11.7973 3.96614 -1.12521 3.9661 4.02271 GPRESSAVG: 3518800 -19.0211 -86.7435 -0.294519 -89.3934 11.2436 4.16116 -1.63226 3.52481 3.66389 TIMING: 3518800 CPU: 11172, 0.0031129/step Wall: 11172, 0.0031129/step, 1.28078 hours remaining, 233.125000 MB of memory in use. ENERGY: 3518800 4050.6816 20582.9222 14589.7345 258.7305 -203395.8696 2574.5164 0.0000 0.0000 51894.2537 -109445.0307 298.2370 -161339.2844 -109078.6575 298.6428 -215.8002 -191.1809 762183.0975 -1.5145 -1.3712 PRESSURE: 3519000 149.276 -257.704 201.055 -257.705 -132.416 154.521 201.055 154.52 100.797 GPRESSURE: 3519000 191.787 -218.497 162.358 -84.8662 -113.733 142.727 73.5621 195.555 132.664 PRESSAVG: 3519000 -22.3692 -100.509 -27.0348 -100.509 45.7246 26.5068 -27.0348 26.5068 20.7355 GPRESSAVG: 3519000 -22.1839 -105.372 -28.7113 -98.1409 44.6514 25.3143 -26.5279 26.0906 21.3963 TIMING: 3519000 CPU: 11172.6, 0.00311634/step Wall: 11172.6, 0.00311634/step, 1.28203 hours remaining, 233.125000 MB of memory in use. ENERGY: 3519000 3974.7501 20433.8505 14561.5293 232.9281 -203025.9818 2403.1774 0.0000 0.0000 52099.7144 -109320.0320 299.4178 -161419.7463 -108959.5969 299.0200 39.2187 70.2393 761072.6877 14.6969 14.6212 PRESSURE: 3519200 -363.155 -195.688 -358.217 -195.688 115.417 -141.622 -358.217 -141.623 -85.9006 GPRESSURE: 3519200 -349.601 -156.774 -294.164 -156.527 164.426 -136.463 -261.236 -16.8879 -48.1813 PRESSAVG: 3519200 3.49208 -57.5625 -1.51337 -57.5624 19.3917 5.99274 -1.5134 5.99276 22.0399 GPRESSAVG: 3519200 3.00238 -55.7414 -0.892088 -57.9671 19.3939 7.95452 -3.73604 6.37031 22.712 TIMING: 3519200 CPU: 11173.2, 0.00311682/step Wall: 11173.2, 0.00311682/step, 1.28205 hours remaining, 233.125000 MB of memory in use. ENERGY: 3519200 3968.5100 20305.0026 14478.3222 241.0312 -202759.5942 2526.1141 0.0000 0.0000 52023.5260 -109217.0881 298.9799 -161240.6141 -108854.1975 299.3899 -111.2131 -77.7856 763877.8448 14.9746 15.0361 PRESSURE: 3519400 53.0935 -23.4422 70.4905 -23.4421 24.8002 -164.274 70.4911 -164.273 140.078 GPRESSURE: 3519400 83.704 -82.1225 19.2436 19.0247 13.2498 -199.461 140.593 -184.646 219.151 PRESSAVG: 3519400 20.1279 -83.1798 -25.3396 -83.1797 -51.6761 4.05853 -25.3397 4.05848 -21.3405 GPRESSAVG: 3519400 20.4203 -83.2855 -26.0516 -81.5744 -51.2236 2.4735 -22.8907 5.9914 -21.6679 TIMING: 3519400 CPU: 11173.9, 0.00312249/step Wall: 11173.9, 0.00312249/step, 1.28421 hours remaining, 233.125000 MB of memory in use. ENERGY: 3519400 3921.4170 20356.3995 14387.5358 224.4905 -202840.5661 2565.7028 0.0000 0.0000 52256.7606 -109128.2600 300.3203 -161385.0206 -108758.0261 298.9820 72.6574 105.3681 763230.5426 -17.6296 -17.4904 PRESSURE: 3519600 -94.0903 9.03655 -83.6259 9.0365 -170.971 212.27 -83.6262 212.269 -350.362 GPRESSURE: 3519600 -79.2535 -54.4708 51.6667 128.918 -68.5819 172.341 -144.028 280.878 -361.515 PRESSAVG: 3519600 48.1268 -35.1051 1.50722 -35.1052 -51.9396 -25.0727 1.50725 -25.0727 8.88879 GPRESSAVG: 3519600 48.3115 -33.6412 1.90946 -36.3552 -51.4232 -24.7795 0.724727 -29.8527 8.38402 TIMING: 3519600 CPU: 11174.5, 0.00311018/step Wall: 11174.5, 0.00311018/step, 1.27898 hours remaining, 233.125000 MB of memory in use. ENERGY: 3519600 4001.1995 20323.0029 14497.4280 243.1567 -203008.7676 2419.9824 0.0000 0.0000 52354.9446 -109169.0535 300.8846 -161523.9981 -108813.3891 299.0799 -205.1411 -169.7834 762619.5533 1.6920 1.7574 PRESSURE: 3519800 -308.084 -7.4822 -169.076 -7.48179 -189.32 149.261 -169.077 149.261 -390.357 GPRESSURE: 3519800 -231.232 8.63346 -104.61 26.6584 -150.298 70.5103 -205.877 164.839 -416.721 PRESSAVG: 3519800 14.3421 -77.5878 -26.9707 -77.5879 9.04047 -31.0215 -26.9707 -31.0215 15.7692 GPRESSAVG: 3519800 14.4141 -77.8957 -25.0396 -78.1745 9.8672 -30.0531 -29.1676 -30.5361 15.074 TIMING: 3519800 CPU: 11175.1, 0.00310994/step Wall: 11175.1, 0.00310994/step, 1.27871 hours remaining, 233.125000 MB of memory in use. ENERGY: 3519800 4035.9930 20624.3450 14498.1865 241.5386 -202975.2169 2332.7941 0.0000 0.0000 51931.1598 -109311.1998 298.4491 -161242.3597 -108954.4399 299.4867 -295.9204 -266.0837 761806.0489 13.0506 13.1184 PRESSURE: 3520000 -31.9635 -115.002 -123.858 -115.002 1.27231 150.014 -123.859 150.013 -283.433 GPRESSURE: 3520000 62.829 -183.873 -140.833 -134.891 -59.6089 49.2131 -135.762 150.928 -246.186 PRESSAVG: 3520000 -41.3988 -39.1875 -9.04328 -39.1875 -0.646126 18.7474 -9.04325 18.7475 19.6364 GPRESSAVG: 3520000 -40.4534 -38.2053 -10.8373 -39.6945 -1.48406 17.5606 -5.98729 18.5585 19.8433 TIMING: 3520000 CPU: 11175.7, 0.00311161/step Wall: 11175.7, 0.00311161/step, 1.27922 hours remaining, 233.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3520000 3995.5773 20414.8824 14464.5435 273.9993 -202776.3721 2444.6642 0.0000 0.0000 51804.1849 -109378.5206 297.7194 -161182.7055 -109018.0365 298.8094 -104.7081 -80.9886 762840.9899 -7.4695 -7.3647 PRESSURE: 3520200 17.9641 -151.829 -44.7315 -151.829 146.686 -41.7378 -44.7322 -41.7378 -501.03 GPRESSURE: 3520200 11.1965 -173.504 1.29243 -197.127 86.5308 -106.193 -89.1104 -26.9542 -340.043 PRESSAVG: 3520200 4.19969 -70.194 -13.56 -70.194 -24.7413 -21.177 -13.56 -21.177 6.40217 GPRESSAVG: 3520200 3.49859 -70.9015 -13.9723 -69.6117 -25.2866 -19.3125 -13.3968 -20.6668 7.78036 TIMING: 3520200 CPU: 11176.4, 0.00312627/step Wall: 11176.4, 0.00312627/step, 1.28507 hours remaining, 233.125000 MB of memory in use. ENERGY: 3520200 4011.3480 20356.3754 14416.0980 228.3731 -202969.0089 2414.7150 0.0000 0.0000 52301.3068 -109240.7927 300.5763 -161542.0995 -108875.7872 298.6899 -112.1266 -80.7719 761411.0604 -4.7131 -4.6692 LDB: ============= START OF LOAD BALANCING ============== 11188.8 LDB: ============== END OF LOAD BALANCING =============== 11188.8 LDB: =============== DONE WITH MIGRATION ================ 11188.8 LDB: ============= START OF LOAD BALANCING ============== 11189.1 LDB: Largest compute 7036 load 0.031413 is 16.1% of average load 0.195593 LDB: Average compute 0.004395 is 2.2% of average load 0.195593 LDB: TIME 11189.1 LOAD: AVG 0.195593 MAX 0.218102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.5 MB LDB: TIME 11189.1 LOAD: AVG 0.195593 MAX 0.218102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: TIME 11189.1 LOAD: AVG 0.195593 MAX 0.218102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.699 MB LDB: ============== END OF LOAD BALANCING =============== 11189.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11189.1 PRESSURE: 3520400 -311.784 -290.499 81.5223 -290.5 -133.472 -54.2421 81.5234 -54.242 -131.97 GPRESSURE: 3520400 -338.618 -148.903 119.87 -238.448 -69.3333 -174.682 168.358 67.664 -78.0592 PRESSAVG: 3520400 -8.641 -67.5074 -11.9141 -67.5075 10.1479 -0.46243 -11.914 -0.462362 4.40214 GPRESSAVG: 3520400 -9.11748 -68.5767 -11.3752 -67.4448 12.4095 -1.55585 -10.81 -1.65354 3.04139 TIMING: 3520400 CPU: 11177, 0.00319819/step Wall: 11177, 0.00319819/step, 1.31446 hours remaining, 234.265625 MB of memory in use. ENERGY: 3520400 4011.0982 20400.4504 14551.5461 236.3443 -202931.8428 2432.3617 0.0000 0.0000 52123.5554 -109176.4867 299.5548 -161300.0421 -108804.8009 299.3425 -192.4085 -162.0035 762380.3220 1.9697 2.1111 Info: useSync: 0 useProxySync: 0 Info: useSync: 0 useProxySync: 0 PRESSURE: 3520600 88.4716 -50.8122 57.3579 -50.8127 88.3985 296.65 57.359 296.65 254.301 GPRESSURE: 3520600 86.4356 -72.7336 -50.7393 -7.80449 72.5315 246.845 180.259 272.019 352.905 PRESSAVG: 3520600 64.1407 -66.4391 -16.664 -66.439 -66.8621 -9.9321 -16.6639 -9.93211 -7.75563 GPRESSAVG: 3520600 65.3561 -67.1408 -16.157 -64.5191 -67.8937 -9.53631 -18.4888 -8.94999 -7.51963 TIMING: 3520600 CPU: 11177.6, 0.00313188/step Wall: 11177.6, 0.00313188/step, 1.28703 hours remaining, 234.882812 MB of memory in use. ENERGY: 3520600 3992.2066 20531.9175 14531.3356 250.6505 -203345.4332 2777.7322 0.0000 0.0000 52038.6741 -109222.9167 299.0670 -161261.5907 -108867.3988 299.3030 143.7238 170.6241 762190.0524 -3.4924 -3.3524 PRESSURE: 3520800 -273.571 146.887 -211.996 146.888 -19.9209 -48.7138 -211.996 -48.7129 -92.6134 GPRESSURE: 3520800 -183.233 251.913 -187.202 70.5983 -52.0187 -132.738 -239.49 -51.4921 -82.7135 PRESSAVG: 3520800 0.477699 -61.7873 47.7326 -61.7874 -13.7649 30.8648 47.7327 30.8648 -0.0493894 GPRESSAVG: 3520800 0.13781 -59.9713 47.5429 -62.3379 -13.9681 31.3469 45.8103 30.9939 0.497749 TIMING: 3520800 CPU: 11178.3, 0.00313469/step Wall: 11178.3, 0.00313469/step, 1.28801 hours remaining, 234.882812 MB of memory in use. ENERGY: 3520800 4020.7130 20647.3371 14545.3629 226.9731 -203396.3768 2791.7528 0.0000 0.0000 52048.9026 -109115.3353 299.1258 -161164.2379 -108762.3902 299.5303 -128.7017 -105.9883 762135.9573 -4.4455 -4.4442 PRESSURE: 3521000 -348.887 -174.099 158.234 -174.099 -364.935 103.705 158.233 103.704 321.915 GPRESSURE: 3521000 -311.284 -176.163 137.914 -173.222 -294.093 124.382 161.731 124.342 296.11 PRESSAVG: 3521000 -24.1755 -35.9246 44.123 -35.9246 44.0303 39.927 44.1231 39.9269 -24.3078 GPRESSAVG: 3521000 -24.5869 -35.8779 42.6203 -38.9993 44.3594 38.5254 46.7787 41.8413 -23.8379 TIMING: 3521000 CPU: 11178.9, 0.00311984/step Wall: 11178.9, 0.00311984/step, 1.28173 hours remaining, 234.882812 MB of memory in use. ENERGY: 3521000 3960.7214 20610.1825 14419.6567 256.8995 -202842.1119 2263.8324 0.0000 0.0000 52253.2490 -109077.5703 300.3001 -161330.8194 -108704.4616 299.6049 -130.6355 -103.0888 762624.9028 -1.4844 -1.3551 PRESSURE: 3521200 349.207 132.595 40.3475 132.594 218.194 -299.247 40.3485 -299.246 80.776 GPRESSURE: 3521200 337.792 159.269 85.3821 194.818 288.378 -205.156 -17.9666 -201.528 116.996 PRESSAVG: 3521200 16.8646 -18.1507 57.2557 -18.1506 -35.2459 -6.09629 57.2556 -6.09628 1.31003 GPRESSAVG: 3521200 17.1529 -18.7816 58.4189 -17.3395 -34.8163 -5.51739 54.3132 -6.05886 0.629828 TIMING: 3521200 CPU: 11179.5, 0.00312261/step Wall: 11179.5, 0.00312261/step, 1.2827 hours remaining, 234.882812 MB of memory in use. ENERGY: 3521200 3952.7860 20579.5887 14433.5861 256.9122 -203034.2730 2620.5831 0.0000 0.0000 52355.2711 -108835.5459 300.8865 -161190.8170 -108469.8445 299.6144 216.0591 247.7221 761679.8955 -5.6904 -5.6779 PRESSURE: 3521400 -18.6981 12.3796 -109.336 12.379 -129.011 -28.325 -109.336 -28.3255 -347.678 GPRESSURE: 3521400 12.0348 47.8962 -97.0449 -82.2449 -102.356 -35.7528 -102.528 46.7817 -312.551 PRESSAVG: 3521400 6.63319 -45.4754 57.6576 -45.4754 10.0532 -16.2328 57.6576 -16.2328 -3.9528 GPRESSAVG: 3521400 7.44397 -42.8763 56.4688 -45.0695 9.27287 -15.1511 59.4721 -19.4032 -3.63905 TIMING: 3521400 CPU: 11201.3, 0.109197/step Wall: 11201.3, 0.109197/step, 44.8495 hours remaining, 234.882812 MB of memory in use. ENERGY: 3521400 3968.5861 20540.4980 14514.6367 269.8044 -202388.6089 2202.0758 0.0000 0.0000 52081.1731 -108811.8349 299.3112 -160893.0080 -108443.8128 299.9221 -165.1291 -134.2905 763201.2132 4.2445 4.3593 PRESSURE: 3521600 2.74215 38.1653 -154.021 38.1659 193.845 247.802 -154.022 247.802 -98.24 GPRESSURE: 3521600 57.7687 91.1081 -100.178 -15.0526 177.18 250.87 -150.568 373.658 -44.798 PRESSAVG: 3521600 -36.4579 -38.9037 -18.6866 -38.9036 16.1419 27.6649 -18.6865 27.6649 30.473 GPRESSAVG: 3521600 -38.168 -42.1902 -17.8995 -38.3136 17.2088 28.3424 -18.1262 31.2179 30.8659 TIMING: 3521600 CPU: 11202.1, 0.00399176/step Wall: 11202.1, 0.00399176/step, 1.63928 hours remaining, 234.882812 MB of memory in use. ENERGY: 3521600 3978.0375 20590.9889 14496.4607 218.4341 -202892.4348 2380.6388 0.0000 0.0000 52358.7175 -108869.1572 300.9063 -161227.8747 -108501.3580 300.3550 32.7824 63.3837 761068.3824 3.3857 3.3022 PRESSURE: 3521800 165.822 19.7379 -135.748 19.7374 374.117 194.711 -135.748 194.711 354.734 GPRESSURE: 3521800 184.299 -26.3275 -61.4465 -23.2832 357.256 228.061 -128.95 115.281 430.488 PRESSAVG: 3521800 58.9802 -72.9068 -12.8973 -72.9068 6.96696 42.7709 -12.8973 42.7709 0.334402 GPRESSAVG: 3521800 60.4041 -71.0848 -12.6715 -73.8044 6.04905 40.255 -13.3229 41.7723 -0.0421485 TIMING: 3521800 CPU: 11202.9, 0.00397284/step Wall: 11202.9, 0.00397284/step, 1.63129 hours remaining, 234.882812 MB of memory in use. ENERGY: 3521800 3929.5207 20548.9432 14491.5092 242.4986 -202987.4418 2622.0566 0.0000 0.0000 52105.1596 -109047.7541 299.4491 -161152.9137 -108676.1353 300.2628 298.2240 324.0144 762466.2016 22.0939 22.1370 PRESSURE: 3522000 -85.1625 -115.727 -78.3079 -115.726 -170.566 15.5774 -78.3077 15.5776 -10.5553 GPRESSURE: 3522000 -1.32494 -105.588 -13.7064 -181.112 -174.704 8.0391 -98.4981 8.53133 -26.8428 PRESSAVG: 3522000 8.5375 -50.8555 8.40882 -50.8555 -4.89183 -19.2782 8.40887 -19.2783 -5.2986 GPRESSAVG: 3522000 7.40883 -50.9721 8.40699 -49.4265 -3.79498 -17.6591 6.28854 -19.8785 -5.08433 TIMING: 3522000 CPU: 11203.7, 0.00394031/step Wall: 11203.7, 0.00394031/step, 1.61772 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3522000 3996.7123 20558.5701 14434.7517 249.1502 -203164.2858 2473.3750 0.0000 0.0000 52489.7686 -108961.9579 301.6594 -161451.7266 -108583.3547 299.9384 -88.7612 -67.6240 761673.3912 -0.5510 -0.4902 PRESSURE: 3522200 -334.238 83.196 136.163 83.196 -360.043 -131.799 136.163 -131.8 -140.464 GPRESSURE: 3522200 -212.983 -47.4715 155.344 52.235 -482.473 -150.277 216.89 -80.4525 -64.7727 PRESSAVG: 3522200 14.7745 8.07987 54.6815 8.07986 5.78995 -17.6372 54.6815 -17.6372 30.9726 GPRESSAVG: 3522200 17.1407 7.46337 53.9604 7.57754 5.1504 -18.433 55.7013 -17.0414 29.2627 TIMING: 3522200 CPU: 11204.5, 0.00394353/step Wall: 11204.5, 0.00394353/step, 1.61882 hours remaining, 234.882812 MB of memory in use. ENERGY: 3522200 4032.5335 20654.5985 14535.9861 249.3260 -203173.9562 2399.0330 0.0000 0.0000 52313.3622 -108989.1169 300.6456 -161302.4791 -108622.2559 300.0931 -278.2482 -253.4096 761698.8768 17.1790 17.1846 PRESSURE: 3522400 -153.004 0.106954 185.707 0.105704 -104.994 -72.3648 185.708 -72.3649 150.552 GPRESSURE: 3522400 -208.851 110.402 236.689 -65.4876 40.0282 19.1937 141.977 -91.7012 147.303 PRESSAVG: 3522400 68.1998 -49.8233 20.0432 -49.8233 -51.1836 15.8061 20.0432 15.8061 23.0734 GPRESSAVG: 3522400 66.6458 -48.6265 21.968 -48.9383 -50.9201 15.9753 20.2575 16.3053 23.8779 TIMING: 3522400 CPU: 11205.3, 0.003956/step Wall: 11205.3, 0.003956/step, 1.62372 hours remaining, 234.882812 MB of memory in use. ENERGY: 3522400 3933.7894 20658.0937 14566.8385 255.7950 -203093.7091 2319.3730 0.0000 0.0000 52343.1987 -109016.6208 300.8171 -161359.8195 -108646.1383 300.4888 -35.8154 -7.1733 760452.1215 13.3632 13.2012 PRESSURE: 3522600 1.74479 -116.421 10.1656 -116.422 101.714 116.511 10.1652 116.512 26.2432 GPRESSURE: 3522600 35.5407 -37.5607 24.1846 -102.313 135.528 65.9995 -48.5009 33.6564 41.8696 PRESSAVG: 3522600 -13.0983 -25.8721 0.40008 -25.8721 -6.7659 -9.2523 0.40012 -9.25232 -22.3604 GPRESSAVG: 3522600 -14.5031 -26.8339 0.129279 -26.9613 -6.16208 -8.32491 -0.247896 -11.0373 -21.5352 TIMING: 3522600 CPU: 11206.1, 0.00394963/step Wall: 11206.1, 0.00394963/step, 1.62088 hours remaining, 234.882812 MB of memory in use. ENERGY: 3522600 3987.6032 20539.9625 14597.0720 260.6509 -203393.1431 2625.2147 0.0000 0.0000 52003.9183 -109378.7216 298.8672 -161382.6398 -109013.3512 300.0548 43.2339 70.9793 760837.8452 -14.0749 -14.0668 PRESSURE: 3522800 -40.2635 -70.5624 148.785 -70.5618 -67.102 -106.539 148.786 -106.539 -33.7496 GPRESSURE: 3522800 1.03498 -150.662 151.069 -4.54294 -49.3639 -148.348 -11.3108 -1.34631 -6.91507 PRESSAVG: 3522800 15.3128 -46.0368 22.7831 -46.0368 -13.0511 -14.598 22.7831 -14.598 10.0283 GPRESSAVG: 3522800 15.8132 -43.5932 22.1052 -44.9378 -14.4736 -15.9607 20.9713 -11.8979 10.4093 TIMING: 3522800 CPU: 11206.9, 0.00399057/step Wall: 11206.9, 0.00399057/step, 1.63747 hours remaining, 234.882812 MB of memory in use. ENERGY: 3522800 4028.0420 20628.7678 14522.6070 251.6499 -203464.9140 2491.6024 0.0000 0.0000 52096.7246 -109445.5203 299.4006 -161542.2449 -109085.8809 299.2629 -47.0384 -18.4147 761060.4888 4.0967 3.9163 PRESSURE: 3523000 -207.047 -202.037 -64.323 -202.037 -340.113 -27.0097 -64.3236 -27.0096 -360.798 GPRESSURE: 3523000 -166.592 -226.679 -73.8079 -306.003 -370.804 6.96954 13.0932 -26.7995 -285.94 PRESSAVG: 3523000 53.1396 -45.7836 68.5873 -45.7836 -18.6615 17.324 68.5874 17.324 15.0374 GPRESSAVG: 3523000 52.5352 -46.9463 66.8584 -48.5374 -17.5066 18.2667 70.4959 14.6196 14.3836 TIMING: 3523000 CPU: 11207.7, 0.00399014/step Wall: 11207.7, 0.00399014/step, 1.63707 hours remaining, 234.882812 MB of memory in use. ENERGY: 3523000 3945.4167 20421.7284 14482.5524 251.0773 -203379.0535 2417.5726 0.0000 0.0000 52087.7462 -109772.9598 299.3490 -161860.7061 -109417.4867 298.8692 -302.6527 -274.4452 761584.6564 16.5052 16.4707 PRESSURE: 3523200 -31.2213 -15.719 -123.97 -15.7179 62.8145 -31.9204 -123.97 -31.9203 467.346 GPRESSURE: 3523200 15.3053 12.9876 -95.4266 143.904 123.169 68.291 53.6596 -52.2096 448.229 PRESSAVG: 3523200 35.8769 -7.57938 41.9406 -7.57944 -43.2377 7.46746 41.9406 7.46749 22.1558 GPRESSAVG: 3523200 36.0284 -7.48596 44.9417 -5.63003 -44.0352 7.15701 43.3093 7.89867 22.8307 TIMING: 3523200 CPU: 11208.5, 0.00400922/step Wall: 11208.5, 0.00400922/step, 1.64467 hours remaining, 234.882812 MB of memory in use. ENERGY: 3523200 4000.3912 20535.1900 14484.6820 257.2559 -203604.9184 2694.5863 0.0000 0.0000 51841.9260 -109790.8870 297.9363 -161632.8130 -109428.0396 298.3044 166.3130 195.5677 761539.2241 4.9317 4.9413 PRESSURE: 3523400 -85.3217 -49.7804 -87.8365 -49.7807 -67.0067 -47.0493 -87.8372 -47.05 219.478 GPRESSURE: 3523400 34.5252 -29.4318 -87.907 -53.5552 -73.0558 -10.5766 -170.368 55.6869 197.955 PRESSAVG: 3523400 -15.2416 24.8464 10.7528 24.8464 27.0079 4.99144 10.7528 4.99139 0.666649 GPRESSAVG: 3523400 -14.5307 24.5718 8.7329 24.0814 28.1109 5.81314 9.19391 6.91381 -0.381994 TIMING: 3523400 CPU: 11209.3, 0.0039769/step Wall: 11209.3, 0.0039769/step, 1.63119 hours remaining, 234.882812 MB of memory in use. ENERGY: 3523400 4078.7241 20521.4695 14452.6433 250.1582 -203787.7987 2821.9788 0.0000 0.0000 51991.8508 -109670.9741 298.7979 -161662.8249 -109299.8478 298.3520 22.3833 53.1414 761097.9508 4.1443 4.3994 PRESSURE: 3523600 -95.6548 56.7162 16.9265 56.7166 -115.558 -85.8218 16.9263 -85.8208 -67.3366 GPRESSURE: 3523600 5.3182 108.892 -16.5003 123.983 -117.816 -59.2145 51.0061 -101.576 -96.7725 PRESSAVG: 3523600 37.8201 12.2337 13.0467 12.2337 -39.427 24.8567 13.0467 24.8567 -0.356868 GPRESSAVG: 3523600 37.4979 12.44 13.5419 14.6485 -40.7876 23.1093 12.7199 23.8982 1.66523 TIMING: 3523600 CPU: 11210.1, 0.00397847/step Wall: 11210.1, 0.00397847/step, 1.63162 hours remaining, 234.882812 MB of memory in use. ENERGY: 3523600 4052.2654 20510.0271 14492.2422 237.2873 -203598.0199 2512.2643 0.0000 0.0000 52145.7925 -109648.1412 299.6826 -161793.9337 -109275.5744 298.9907 -92.8499 -69.7568 762274.6836 -0.6546 -0.5415 PRESSURE: 3523800 -517.569 -70.9088 -38.3337 -70.9094 -190.332 -26.7266 -38.3339 -26.7267 -265.952 GPRESSURE: 3523800 -453.82 -33.0589 -17.4992 -41.0544 -203.409 -38.6669 -111.39 -26.2523 -224.525 PRESSAVG: 3523800 7.01379 -16.0985 12.3379 -16.0985 -27.8927 4.37756 12.3379 4.37754 9.99941 GPRESSAVG: 3523800 7.59298 -15.7055 11.2924 -18.183 -27.8099 3.92989 15.1913 4.23549 9.44157 TIMING: 3523800 CPU: 11210.9, 0.00402019/step Wall: 11210.9, 0.00402019/step, 1.6485 hours remaining, 234.882812 MB of memory in use. ENERGY: 3523800 4071.5971 20528.3398 14524.7916 257.7880 -203415.0232 2350.4743 0.0000 0.0000 52114.2682 -109567.7644 299.5014 -161682.0325 -109196.9241 298.8661 -324.6177 -293.9180 761877.7971 -3.6265 -3.5918 PRESSURE: 3524000 41.9439 -0.814848 -81.2903 -0.815541 325.125 75.9774 -81.2893 75.9764 356.625 GPRESSURE: 3524000 80.9097 -7.22022 -92.2898 -93.6172 396.085 114.883 -17.9523 116.365 329.915 PRESSAVG: 3524000 -3.80086 -0.678186 23.9781 -0.678193 16.2462 7.5771 23.9782 7.57717 -17.1859 GPRESSAVG: 3524000 -5.44301 -1.53189 24.9813 -0.328675 17.5412 8.30779 22.5161 8.6206 -17.0013 TIMING: 3524000 CPU: 11211.7, 0.0039647/step Wall: 11211.7, 0.0039647/step, 1.62553 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3524000 4029.8311 20599.4705 14494.6730 236.3542 -203422.7489 2560.1657 0.0000 0.0000 52014.6777 -109487.5766 298.9291 -161502.2544 -109126.2558 299.2074 241.2313 268.9700 760997.2463 -1.5802 -1.6344 PRESSURE: 3524200 -200.851 -54.0427 -9.63731 -54.0434 -240.917 61.9182 -9.6367 61.9165 -8.6893 GPRESSURE: 3524200 -128.528 -87.5494 -99.8309 -67.3007 -249.806 -12.0404 35.0079 -5.21537 -1.95568 PRESSAVG: 3524200 -40.116 -11.7397 37.0754 -11.7397 46.3984 -38.0732 37.0754 -38.0731 20.5639 GPRESSAVG: 3524200 -39.444 -11.0688 37.4379 -12.065 46.5667 -38.7289 35.6434 -37.5999 19.417 TIMING: 3524200 CPU: 11212.5, 0.00396156/step Wall: 11212.5, 0.00396156/step, 1.62402 hours remaining, 234.882812 MB of memory in use. ENERGY: 3524200 4098.8395 20744.8338 14476.8302 247.0480 -203305.7353 2426.8060 0.0000 0.0000 52299.0924 -109012.2855 300.5636 -161311.3779 -108652.7043 299.9634 -150.1524 -126.7629 763195.7282 8.9488 8.8466 LDB: ============= START OF LOAD BALANCING ============== 11225 LDB: ============== END OF LOAD BALANCING =============== 11225 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11225 LDB: ============= START OF LOAD BALANCING ============== 11225.4 LDB: Largest compute 7070 load 0.032557 is 16.8% of average load 0.193261 LDB: Average compute 0.004428 is 2.3% of average load 0.193261 LDB: TIME 11225.4 LOAD: AVG 0.193261 MAX 0.217705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 11225.4 LOAD: AVG 0.193261 MAX 0.217705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: TIME 11225.4 LOAD: AVG 0.193261 MAX 0.215407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: ============== END OF LOAD BALANCING =============== 11225.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11225.4 PRESSURE: 3524400 255.075 267.166 45.874 267.166 -497.179 72.444 45.8739 72.4441 9.45732 GPRESSURE: 3524400 215.938 255.848 -84.0434 164.898 -438.654 102.506 14.5643 19.5239 80.1565 PRESSAVG: 3524400 -24.753 24.3281 39.9067 24.3282 0.259561 18.2784 39.9067 18.2784 -15.2971 GPRESSAVG: 3524400 -24.7794 22.1782 38.8078 25.068 -1.27281 21.1182 42.9249 16.2683 -14.2719 TIMING: 3524400 CPU: 11213.3, 0.00402065/step Wall: 11213.3, 0.00402065/step, 1.64802 hours remaining, 234.851562 MB of memory in use. ENERGY: 3524400 4028.3759 20605.1644 14535.9987 248.1625 -203417.9962 2788.7740 0.0000 0.0000 52090.6607 -109120.8599 299.3657 -161211.5206 -108748.5018 300.3105 -77.5486 -47.5199 761939.6215 -13.2635 -13.4414 PRESSURE: 3524600 -610.39 52.5476 -72.1119 52.548 -202.355 3.22068 -72.1124 3.22065 -179.912 GPRESSURE: 3524600 -427.266 95.7073 -44.8754 145.341 -222.087 1.55405 -63.59 47.5402 -242.802 PRESSAVG: 3524600 -0.130617 -3.86473 29.8114 -3.86473 -12.9563 1.65642 29.8114 1.65637 13.4076 GPRESSAVG: 3524600 0.39903 -1.3112 30.5096 -3.51425 -12.0927 0.586801 27.2668 2.08059 12.0114 TIMING: 3524600 CPU: 11214.1, 0.00396297/step Wall: 11214.1, 0.00396297/step, 1.62416 hours remaining, 234.921875 MB of memory in use. ENERGY: 3524600 4064.2200 20674.7130 14581.9230 239.4919 -203356.2009 2385.0273 0.0000 0.0000 52112.7422 -109298.0836 299.4926 -161410.8257 -108934.6964 300.1632 -330.8854 -297.3852 761785.9590 0.1069 0.1059 PRESSURE: 3524800 310.532 -178.203 -193.589 -178.203 -275.448 22.4836 -193.589 22.4841 107.594 GPRESSURE: 3524800 285.948 -243.038 -221.189 -111.274 -220.772 74.8062 -157.051 50.7801 154.386 PRESSAVG: 3524800 -6.93158 -42.5467 42.2769 -42.5468 -48.4079 63.352 42.2769 63.352 13.8838 GPRESSAVG: 3524800 -6.9052 -41.1394 41.7382 -42.4891 -48.307 63.1407 43.3906 63.7204 13.7018 TIMING: 3524800 CPU: 11214.9, 0.0039629/step Wall: 11214.9, 0.0039629/step, 1.62391 hours remaining, 234.921875 MB of memory in use. ENERGY: 3524800 4035.0154 20674.9454 14486.5745 247.6308 -203515.5973 2648.8384 0.0000 0.0000 51885.8510 -109536.7417 298.1887 -161422.5927 -109175.3551 299.6562 47.5594 73.1875 760188.2784 -13.8186 -13.8368 PRESSURE: 3525000 85.7947 -223.679 -14.193 -223.678 -32.4756 -102.889 -14.1917 -102.889 -155.16 GPRESSURE: 3525000 179.618 -258.964 -14.7464 -64.3331 -95.1239 -71.3338 -119.958 -117.385 -108.328 PRESSAVG: 3525000 1.26012 -18.2221 25.1807 -18.2221 24.6707 66.5923 25.1807 66.5922 -13.1701 GPRESSAVG: 3525000 1.02022 -19.8691 24.2191 -17.7287 24.3688 66.9217 26.2647 64.1961 -12.1229 TIMING: 3525000 CPU: 11215.7, 0.00397096/step Wall: 11215.7, 0.00397096/step, 1.62699 hours remaining, 234.921875 MB of memory in use. ENERGY: 3525000 4008.9753 20608.7059 14544.1695 257.1400 -203843.3601 2707.0198 0.0000 0.0000 51918.6671 -109798.6825 298.3773 -161717.3496 -109434.8191 299.2887 -33.9471 -7.9444 759362.2275 4.2536 4.4220 PRESSURE: 3525200 -144.281 6.63306 -298.591 6.6336 -246.923 -19.9089 -298.592 -19.9085 -175.692 GPRESSURE: 3525200 -146.554 19.5895 -204.888 -30.7627 -191.768 -62.2795 -389.105 27.2905 -154.734 PRESSAVG: 3525200 15.8529 2.6631 -8.80262 2.66314 5.96002 50.6589 -8.80265 50.6589 21.2677 GPRESSAVG: 3525200 16.0011 1.66775 -5.83369 2.74939 6.50725 49.6282 -10.3757 53.8996 20.384 TIMING: 3525200 CPU: 11216.4, 0.00396123/step Wall: 11216.4, 0.00396123/step, 1.62278 hours remaining, 234.921875 MB of memory in use. ENERGY: 3525200 4017.9078 20411.0533 14537.1254 257.7667 -203502.3554 2501.5434 0.0000 0.0000 51931.0395 -109845.9192 298.4484 -161776.9588 -109473.9840 298.7661 -188.9654 -164.3521 760485.3188 14.3602 14.2975 PRESSURE: 3525400 -116.497 60.818 42.3577 60.8179 -493.621 16.1618 42.3582 16.1618 -404.413 GPRESSURE: 3525400 -27.7192 59.452 48.1832 75.4663 -439.804 48.6707 197.247 -31.1539 -462.837 PRESSAVG: 3525400 46.5277 0.824854 15.9727 0.824804 -32.1542 29.2208 15.9727 29.2208 16.2254 GPRESSAVG: 3525400 46.1393 3.39533 13.2811 -2.17945 -32.2838 30.8349 17.1523 29.0172 16.2442 TIMING: 3525400 CPU: 11217.2, 0.00398275/step Wall: 11217.2, 0.00398275/step, 1.63138 hours remaining, 234.921875 MB of memory in use. ENERGY: 3525400 3970.1542 20456.3721 14507.7397 247.9208 -203187.5163 2254.0880 0.0000 0.0000 52058.8436 -109692.3980 299.1829 -161751.2415 -109334.7726 298.4600 -338.1771 -310.1201 762063.7287 10.1996 10.0332 PRESSURE: 3525600 -34.1902 -30.6794 73.4611 -30.6793 -11.8367 35.9395 73.4622 35.9395 -304.278 GPRESSURE: 3525600 -45.857 30.1989 37.4388 -62.7301 53.721 -2.84018 139.443 42.7226 -271.987 PRESSAVG: 3525600 2.44028 21.0671 5.62767 21.0671 -13.0762 10.6223 5.6276 10.6222 -9.21172 GPRESSAVG: 3525600 3.35689 18.0663 7.56067 21.7138 -13.3236 8.1548 5.9743 12.4937 -9.38948 TIMING: 3525600 CPU: 11218, 0.00396373/step Wall: 11218, 0.00396373/step, 1.62337 hours remaining, 234.921875 MB of memory in use. ENERGY: 3525600 4046.2825 20471.1692 14483.3589 254.2839 -203631.4693 2380.6637 0.0000 0.0000 52264.5014 -109731.2097 300.3648 -161995.7111 -109366.6827 299.0320 -116.7683 -88.0409 761282.8966 -6.6159 -6.4521 PRESSURE: 3525800 68.0643 -60.4998 -81.3356 -60.5003 -163.901 -9.31191 -81.3354 -9.31172 -442.001 GPRESSURE: 3525800 -17.4312 -158.18 -128.007 11.3812 -64.9187 -70.0068 -90.0759 77.1283 -394.766 PRESSAVG: 3525800 -0.228563 -10.5637 50.9714 -10.5637 3.71631 26.8829 50.9713 26.8829 -5.99578 GPRESSAVG: 3525800 -1.33916 -8.96109 50.114 -9.84449 3.31508 27.4426 50.3597 25.0324 -4.65419 TIMING: 3525800 CPU: 11218.8, 0.00397868/step Wall: 11218.8, 0.00397868/step, 1.62927 hours remaining, 234.921875 MB of memory in use. ENERGY: 3525800 4044.7730 20642.4720 14583.7684 245.1993 -203660.3610 2422.6972 0.0000 0.0000 51907.1409 -109814.3103 298.3111 -161721.4513 -109459.7278 299.3275 -179.2795 -159.0387 761531.0564 -0.8360 -0.8928 PRESSURE: 3526000 -83.9338 -190.432 -126.806 -190.431 -171.678 83.2917 -126.806 83.2915 -162.653 GPRESSURE: 3526000 62.2283 10.1964 -77.1601 -152.021 -252.043 58.5157 -126.417 159.532 -139.836 PRESSAVG: 3526000 3.32924 2.51336 -35.6674 2.51341 -24.7056 -11.206 -35.6674 -11.206 -5.61227 GPRESSAVG: 3526000 4.60789 1.80223 -34.2473 2.92946 -23.4074 -11.5292 -35.2539 -11.0189 -7.72105 TIMING: 3526000 CPU: 11219.6, 0.00397648/step Wall: 11219.6, 0.00397648/step, 1.62815 hours remaining, 234.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3526000 4013.4221 20647.0536 14543.1362 262.3093 -203827.3778 2592.2695 0.0000 0.0000 52050.6263 -109718.5609 299.1357 -161769.1872 -109356.7658 298.7512 -139.4217 -109.8838 760709.6917 -8.9962 -8.8402 PRESSURE: 3526200 -70.8937 73.5751 5.66526 73.5746 -227.181 -120.668 5.66607 -120.668 -27.7251 GPRESSURE: 3526200 -119.914 39.8367 -58.2755 -92.8067 -179.818 -60.2476 -87.5597 -92.5819 49.1096 PRESSAVG: 3526200 7.27496 -33.1366 2.24609 -33.1366 65.26 -36.2646 2.2461 -36.2646 10.349 GPRESSAVG: 3526200 6.81886 -33.0907 1.67581 -31.8907 63.875 -36.3023 1.67948 -36.195 12.1497 TIMING: 3526200 CPU: 11220.4, 0.00398787/step Wall: 11220.4, 0.00398787/step, 1.63259 hours remaining, 234.921875 MB of memory in use. ENERGY: 3526200 4030.6465 20377.7332 14528.6308 252.7481 -203376.1255 2380.4297 0.0000 0.0000 52159.3494 -109646.5877 299.7605 -161805.9371 -109287.3596 298.7318 -108.5999 -83.5407 759989.8553 27.6280 27.6145 PRESSURE: 3526400 37.2582 -108.327 -208.348 -108.328 -125.165 -142.872 -208.348 -142.87 -64.9838 GPRESSURE: 3526400 52.2765 -198.221 -295.455 -78.2134 -115.037 -55.553 -115.067 -218.683 -28.8552 PRESSAVG: 3526400 -2.53457 -23.0394 2.31369 -23.0394 21.8772 -32.5361 2.31374 -32.5361 -7.56344 GPRESSAVG: 3526400 -3.74347 -23.4376 1.25823 -24.303 23.0761 -32.3391 0.865648 -32.728 -8.03158 TIMING: 3526400 CPU: 11221.2, 0.00397746/step Wall: 11221.2, 0.00397746/step, 1.62811 hours remaining, 234.921875 MB of memory in use. ENERGY: 3526400 4024.6098 20392.0559 14524.4921 223.0416 -203247.7967 2456.5272 0.0000 0.0000 52160.0452 -109467.0250 299.7645 -161627.0701 -109104.7130 299.1190 -50.9634 -30.5386 761589.1724 3.9264 3.7670 PRESSURE: 3526600 330.225 27.7384 32.1295 27.7387 350.077 249.811 32.1291 249.811 111.384 GPRESSURE: 3526600 353.646 -6.21261 70.1351 25.256 410.213 208.652 -8.81508 174.955 113.094 PRESSAVG: 3526600 42.7759 28.057 44.9067 28.057 -36.5237 -1.09724 44.9067 -1.09731 -7.85717 GPRESSAVG: 3526600 42.8576 28.8093 43.2341 28.6019 -36.893 -1.36893 48.0768 -0.0351485 -7.64192 TIMING: 3526600 CPU: 11222, 0.0039895/step Wall: 11222, 0.0039895/step, 1.63281 hours remaining, 234.921875 MB of memory in use. ENERGY: 3526600 4007.7818 20575.4911 14582.5581 252.1651 -203878.7597 2834.9738 0.0000 0.0000 52062.6166 -109563.1732 299.2046 -161625.7897 -109207.5184 298.9938 263.8953 292.3177 760888.6246 -0.5350 -0.5591 PRESSURE: 3526800 336.274 81.2886 -233.289 81.2884 119.344 -485.316 -233.289 -485.316 193.818 GPRESSURE: 3526800 363.809 4.86894 -247.494 -31.7204 105.776 -440.947 -252.765 -427.741 262.246 PRESSAVG: 3526800 25.9831 -33.4466 22.3451 -33.4467 -29.984 28.093 22.345 28.0929 -13.6445 GPRESSAVG: 3526800 26.8618 -32.8363 24.7478 -34.1981 -30.1621 28.7111 22.6823 27.6222 -14.8778 TIMING: 3526800 CPU: 11222.8, 0.00395601/step Wall: 11222.8, 0.00395601/step, 1.61889 hours remaining, 234.921875 MB of memory in use. ENERGY: 3526800 3953.5558 20534.5488 14551.6576 257.5320 -203947.0375 2948.1291 0.0000 0.0000 52053.6781 -109647.9361 299.1532 -161701.6142 -109294.4825 299.1273 216.4791 243.9435 761608.2366 -5.8818 -6.0594 PRESSURE: 3527000 -0.536661 96.5213 -35.7709 96.5217 229.249 -173.245 -35.7704 -173.244 -140.51 GPRESSURE: 3527000 57.3973 106.688 196.742 58.7752 305.578 -146.584 -100.156 -127.924 -200.389 PRESSAVG: 3527000 83.1361 -8.46815 -22.5753 -8.46814 -4.26807 -39.5177 -22.5753 -39.5176 -26.3124 GPRESSAVG: 3527000 83.1966 -9.5221 -21.6971 -9.58263 -3.63585 -38.9432 -23.6163 -43.1425 -26.9008 TIMING: 3527000 CPU: 11223.6, 0.0039722/step Wall: 11223.6, 0.0039722/step, 1.62529 hours remaining, 234.921875 MB of memory in use. ENERGY: 3527000 3967.9159 20437.7948 14493.7071 240.4639 -203790.5479 2601.8263 0.0000 0.0000 52086.3217 -109962.5183 299.3408 -162048.8400 -109605.7568 298.5162 29.4007 54.1955 760177.9460 17.5185 17.5533 PRESSURE: 3527200 -161.779 169.521 56.725 169.522 -45.7552 -313.175 56.7243 -313.176 105.411 GPRESSURE: 3527200 -162.611 161.088 64.263 10.1259 -16.7268 -363.009 53.4782 -423.276 143.307 PRESSAVG: 3527200 12.7738 6.13085 -36.3513 6.1308 -37.8503 1.41196 -36.3512 1.4119 -8.04632 GPRESSAVG: 3527200 11.3765 7.06746 -37.3699 4.7624 -37.4829 -1.11875 -36.448 5.37581 -6.61727 TIMING: 3527200 CPU: 11224.4, 0.00398462/step Wall: 11224.4, 0.00398462/step, 1.63015 hours remaining, 234.921875 MB of memory in use. ENERGY: 3527200 4050.2959 20691.0963 14553.0920 272.4468 -203722.9714 2554.2036 0.0000 0.0000 52011.9662 -109589.8706 298.9135 -161601.8368 -109226.9204 298.5810 -34.0411 -12.0103 760208.2629 -11.0409 -10.9079 PRESSURE: 3527400 418.239 -184.763 33.362 -184.762 -63.2712 269.465 33.362 269.465 361.639 GPRESSURE: 3527400 432.458 -81.8435 71.9494 -90.0738 -40.7641 320.658 100.881 305.393 411.66 PRESSAVG: 3527400 38.6641 32.2422 -34.5315 32.2422 -18.9569 -23.8602 -34.5315 -23.8602 -2.55694 GPRESSAVG: 3527400 39.8683 29.8737 -35.6161 34.1741 -20.1656 -22.6719 -34.2899 -24.9119 -2.42682 TIMING: 3527400 CPU: 11225.2, 0.00395915/step Wall: 11225.2, 0.00395915/step, 1.61951 hours remaining, 234.921875 MB of memory in use. ENERGY: 3527400 3899.7272 20619.8545 14417.6870 266.8348 -203328.0486 2408.2779 0.0000 0.0000 51880.2895 -109835.3777 298.1567 -161715.6672 -109485.0193 298.9328 238.8689 267.7845 759924.7538 5.7167 5.7586 PRESSURE: 3527600 243.586 5.47491 -261.777 5.47537 76.6896 199.795 -261.777 199.794 -61.0067 GPRESSURE: 3527600 224.606 24.0681 -252.867 129.679 154.376 173.633 -230.499 200.515 -14.1508 PRESSAVG: 3527600 34.8312 34.6812 -3.64196 34.6813 -9.08756 73.5585 -3.642 73.5586 -0.681298 GPRESSAVG: 3527600 35.0153 35.506 -3.51965 36.1708 -8.92377 74.8607 -3.58739 71.7839 -1.15505 TIMING: 3527600 CPU: 11226, 0.00397309/step Wall: 11226, 0.00397309/step, 1.62499 hours remaining, 234.921875 MB of memory in use. ENERGY: 3527600 3989.6902 20390.5058 14419.2439 236.5121 -203434.9378 2536.6335 0.0000 0.0000 52058.2026 -109804.1498 299.1792 -161862.3524 -109431.4349 298.9709 86.4231 121.6102 759394.5879 8.3541 8.3122 PRESSURE: 3527800 -207.556 63.9567 -191.8 63.9565 -67.7583 14.3103 -191.8 14.3106 -51.4097 GPRESSURE: 3527800 -192.149 -29.3217 -207.501 85.4735 -59.703 32.2428 -152.155 36.4066 15.6291 PRESSAVG: 3527800 -2.23395 3.9702 -36.2062 3.9702 7.14634 34.1188 -36.2062 34.1188 17.7735 GPRESSAVG: 3527800 -3.26705 4.73186 -35.6243 3.50866 7.40951 32.0114 -36.2498 36.075 18.6305 TIMING: 3527800 CPU: 11226.8, 0.00396785/step Wall: 11226.8, 0.00396785/step, 1.62263 hours remaining, 234.921875 MB of memory in use. ENERGY: 3527800 3997.6691 20410.2603 14506.4604 248.5158 -203423.5820 2406.7546 0.0000 0.0000 52107.9790 -109745.9428 299.4653 -161853.9219 -109379.8014 298.6847 -108.9081 -78.7410 760278.2764 7.5620 7.5910 PRESSURE: 3528000 -560.675 -110.807 0.889742 -110.807 -33.8234 31.8146 0.889798 31.8143 -356.715 GPRESSURE: 3528000 -509.633 -27.3563 -32.2737 -154.879 -14.0943 11.8711 -56.5386 8.09679 -333.284 PRESSAVG: 3528000 19.9382 -19.6315 24.2466 -19.6315 -17.3063 59.4053 24.2467 59.4052 7.60823 GPRESSAVG: 3528000 21.6767 -21.6549 24.0808 -19.2086 -18.523 60.5612 23.7112 58.3318 6.68728 TIMING: 3528000 CPU: 11227.6, 0.00396834/step Wall: 11227.6, 0.00396834/step, 1.62261 hours remaining, 234.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3528000 3951.6524 20423.0316 14498.3099 262.3915 -203371.6505 2391.4055 0.0000 0.0000 52164.6747 -109680.1849 299.7911 -161844.8596 -109314.9364 299.0147 -317.0711 -285.6703 761678.5697 3.4134 3.2803 PRESSURE: 3528200 -232.426 -99.77 -23.3282 -99.7696 181.552 99.0222 -23.3277 99.0222 -108.9 GPRESSURE: 3528200 -167.806 -22.6044 -35.9079 -93.858 152.036 45.5271 35.9432 165.089 -74.499 PRESSAVG: 3528200 48.8825 -78.3566 -28.1663 -78.3566 -34.4716 11.0893 -28.1663 11.0892 -3.8253 GPRESSAVG: 3528200 47.6964 -75.4653 -27.1753 -79.3229 -33.9217 12.1404 -27.7269 10.1466 -2.93007 TIMING: 3528200 CPU: 11228.4, 0.00395527/step Wall: 11228.4, 0.00395527/step, 1.61705 hours remaining, 234.921875 MB of memory in use. ENERGY: 3528200 3938.2032 20627.8215 14553.4281 241.8089 -203538.6327 2623.8633 0.0000 0.0000 52082.1103 -109471.3975 299.3166 -161553.5078 -109120.0210 299.3914 -53.2579 -30.0895 761641.3195 3.5285 3.6149 LDB: ============= START OF LOAD BALANCING ============== 11240.9 LDB: ============== END OF LOAD BALANCING =============== 11240.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11240.9 LDB: ============= START OF LOAD BALANCING ============== 11241.3 LDB: Largest compute 7068 load 0.033613 is 17.4% of average load 0.193215 LDB: Average compute 0.004420 is 2.3% of average load 0.193215 LDB: TIME 11241.3 LOAD: AVG 0.193215 MAX 0.214946 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.914 MB LDB: TIME 11241.3 LOAD: AVG 0.193215 MAX 0.214946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: TIME 11241.3 LOAD: AVG 0.193215 MAX 0.214946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: ============== END OF LOAD BALANCING =============== 11241.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11241.3 PRESSURE: 3528400 -340.37 -187.547 25.5339 -187.547 -210.532 -0.0102497 25.5343 -0.010706 -262.452 GPRESSURE: 3528400 -265.058 -194.176 7.12724 -48.9054 -249.034 -40.5127 19.5436 -136.642 -233.617 PRESSAVG: 3528400 8.75923 -85.9392 18.5018 -85.9391 -37.1663 -15.4955 18.5018 -15.4955 -3.82891 GPRESSAVG: 3528400 9.07628 -85.1051 18.5256 -85.2138 -36.7048 -16.5769 18.0517 -14.0058 -3.97011 TIMING: 3528400 CPU: 11229.2, 0.00402764/step Wall: 11229.2, 0.00402764/step, 1.64641 hours remaining, 233.492188 MB of memory in use. ENERGY: 3528400 3956.4805 20528.6983 14586.1099 215.8158 -203519.2758 2461.8065 0.0000 0.0000 52160.3029 -109610.0618 299.7660 -161770.3648 -109245.9521 299.0241 -271.1180 -249.2365 762390.0424 -10.7453 -10.5329 PRESSURE: 3528600 288.474 68.6623 -157.314 68.6622 -448.362 58.1196 -157.313 58.1198 -194.76 GPRESSURE: 3528600 228.228 151.767 -97.9918 41.1744 -338.023 21.2453 -257.556 144.759 -167.179 PRESSAVG: 3528600 35.1237 -4.58242 -43.8159 -4.58245 1.18536 19.2708 -43.816 19.2709 23.5054 GPRESSAVG: 3528600 35.3784 -5.79146 -44.481 -6.27782 0.829018 20.3353 -44.2942 18.5577 23.8619 TIMING: 3528600 CPU: 11230, 0.00395551/step Wall: 11230, 0.00395551/step, 1.61671 hours remaining, 233.695312 MB of memory in use. ENERGY: 3528600 3913.9171 20427.5304 14523.7634 261.1638 -202981.3412 2306.0999 0.0000 0.0000 52013.4360 -109535.4306 298.9219 -161548.8665 -109170.8966 299.0752 -118.2159 -92.3246 762191.1325 19.9381 20.0231 PRESSURE: 3528800 -235.712 -144.294 -53.534 -144.294 55.687 250.156 -53.5339 250.156 -193.741 GPRESSURE: 3528800 -187.56 -81.8655 -76.6284 -23.4284 67.5679 335.491 20.194 132.675 -185.479 PRESSAVG: 3528800 -36.5397 -8.94579 -15.8996 -8.94584 -26.2422 -12.1465 -15.8996 -12.1464 -21.4381 GPRESSAVG: 3528800 -35.8934 -9.56384 -14.777 -7.14714 -27.2574 -10.6535 -16.9942 -12.2942 -21.3071 TIMING: 3528800 CPU: 11230.8, 0.00395109/step Wall: 11230.8, 0.00395109/step, 1.61468 hours remaining, 233.695312 MB of memory in use. ENERGY: 3528800 4030.2617 20594.0963 14481.4662 240.0486 -203375.9693 2606.3204 0.0000 0.0000 51988.9316 -109434.8445 298.7811 -161423.7761 -109070.3457 299.1874 -124.5884 -101.8237 762070.1429 -28.0734 -28.1526 PRESSURE: 3529000 218.709 128.67 100.549 128.67 -4.02101 44.0078 100.549 44.0069 307.799 GPRESSURE: 3529000 239.84 135.495 45.4377 65.3681 23.8158 85.4816 41.8299 94.5757 334.557 PRESSAVG: 3529000 13.7862 11.1783 -74.8876 11.1782 -26.1637 -40.3411 -74.8877 -40.341 0.732121 GPRESSAVG: 3529000 12.8041 12.4291 -75.0622 10.6482 -25.3301 -41.0572 -75.1573 -41.2892 0.864483 TIMING: 3529000 CPU: 11231.5, 0.00395518/step Wall: 11231.5, 0.00395518/step, 1.61613 hours remaining, 233.695312 MB of memory in use. ENERGY: 3529000 4028.0734 20513.0877 14592.4468 246.7380 -203999.8127 2980.7228 0.0000 0.0000 52381.6045 -109257.1395 301.0378 -161638.7440 -108900.0861 299.5791 174.1623 199.4042 760365.7256 -3.8818 -3.8872 PRESSURE: 3529200 -259.328 31.1847 109.325 31.1856 -221.618 126.409 109.325 126.41 -124.655 GPRESSURE: 3529200 -269.952 -81.9132 152.251 -147.706 -130.655 126.106 24.9509 83.4083 -120.258 PRESSAVG: 3529200 28.1419 -14.2353 -47.5405 -14.2353 -60.534 -7.98864 -47.5405 -7.98865 31.6829 GPRESSAVG: 3529200 28.2666 -17.2972 -48.3608 -13.2906 -59.9924 -7.91971 -48.3845 -6.6289 31.0601 TIMING: 3529200 CPU: 11232.3, 0.00394294/step Wall: 11232.3, 0.00394294/step, 1.61091 hours remaining, 233.695312 MB of memory in use. ENERGY: 3529200 4046.7440 20591.9576 14535.9066 246.2806 -203298.2306 2472.4281 0.0000 0.0000 52145.5927 -109259.3210 299.6814 -161404.9137 -108907.9945 299.8496 -201.8670 -173.6218 761339.9085 -0.2364 -0.2219 PRESSURE: 3529400 -263.219 -201.385 -36.1411 -201.386 129.445 -29.8221 -36.1415 -29.8213 -158.557 GPRESSURE: 3529400 -272.842 -265.251 -55.4284 -120.949 213.921 25.9884 35.3276 -142.838 -167.306 PRESSAVG: 3529400 48.7104 -13.8537 -57.5084 -13.8537 -18.3321 26.5161 -57.5084 26.5162 -3.60245 GPRESSAVG: 3529400 48.7999 -12.3021 -57.4092 -15.4651 -19.5778 25.9066 -56.9827 27.4173 -2.39228 TIMING: 3529400 CPU: 11233.1, 0.00397055/step Wall: 11233.1, 0.00397055/step, 1.62197 hours remaining, 233.695312 MB of memory in use. ENERGY: 3529400 4057.4187 20612.0204 14567.3785 237.2220 -203638.8521 2707.2892 0.0000 0.0000 52198.0431 -109259.4802 299.9829 -161457.5232 -108896.3786 300.0842 -97.4434 -75.4092 760484.8761 8.9253 8.9433 PRESSURE: 3529600 -41.5233 43.6933 208.922 43.6934 114.527 -121.787 208.92 -121.788 130.657 GPRESSURE: 3529600 6.44618 152.314 217.778 58.9913 164.979 -174.647 190.612 -96.352 124.531 PRESSAVG: 3529600 8.53124 14.2457 -6.09781 14.2457 -20.5774 -2.76591 -6.09778 -2.76597 -26.438 GPRESSAVG: 3529600 8.87299 15.2669 -5.80256 15.787 -19.4744 -2.76041 -6.22953 -1.34656 -27.9989 TIMING: 3529600 CPU: 11233.9, 0.00394534/step Wall: 11233.9, 0.00394534/step, 1.61145 hours remaining, 233.695312 MB of memory in use. ENERGY: 3529600 4004.3032 20528.9837 14564.0901 251.8589 -203216.8330 2431.6204 0.0000 0.0000 52094.8692 -109341.1075 299.3899 -161435.9767 -108976.6873 299.4532 67.8869 98.6521 759490.9228 -12.8281 -12.8668 PRESSURE: 3529800 333.651 -85.0316 -68.8457 -85.0315 -107.337 94.9012 -68.846 94.9021 574.781 GPRESSURE: 3529800 362.371 -52.1219 -110.372 38.8881 -32.1932 10.6828 -3.01842 -18.3806 553.051 PRESSAVG: 3529800 13.6048 -47.3519 8.87334 -47.3519 -18.0332 23.2257 8.8733 23.2258 5.00886 GPRESSAVG: 3529800 13.8856 -46.8665 8.14244 -47.6236 -18.204 22.216 9.31683 21.1598 4.95691 TIMING: 3529800 CPU: 11234.7, 0.00397202/step Wall: 11234.7, 0.00397202/step, 1.62213 hours remaining, 233.695312 MB of memory in use. ENERGY: 3529800 3974.6258 20551.9448 14463.2583 242.3996 -203822.1636 2919.6684 0.0000 0.0000 52345.6707 -109324.5961 300.8313 -161670.2668 -108947.1351 299.7214 267.0315 294.4096 759511.7690 0.1935 0.2128 PRESSURE: 3530000 -218.294 8.5648 -231.944 8.56418 -51.7918 -134.832 -231.944 -134.833 -132.223 GPRESSURE: 3530000 -50.4805 35.6491 -172.79 14.3066 -175.532 18.9217 -158.185 -97.9645 -97.6033 PRESSAVG: 3530000 50.2309 19.6005 7.27704 19.6004 -51.8316 -19.7207 7.27701 -19.7206 -3.74397 GPRESSAVG: 3530000 50.3587 18.3735 7.84827 19.4104 -53.0202 -18.3795 6.94822 -20.1711 -2.22856 TIMING: 3530000 CPU: 11235.5, 0.00397943/step Wall: 11235.5, 0.00397943/step, 1.62494 hours remaining, 233.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3530000 3967.6961 20723.6673 14570.1387 244.5429 -203314.1804 2340.4414 0.0000 0.0000 51968.2190 -109499.4750 298.6621 -161467.6940 -109141.9023 299.5467 -134.1030 -107.8717 761345.5461 -1.7816 -1.6300 PRESSURE: 3530200 190.719 126.476 -61.1999 126.476 -69.0618 73.6569 -61.2 73.6576 87.4544 GPRESSURE: 3530200 289.769 82.3352 -54.0591 120.721 -43.247 50.4016 28.111 117.583 44.8793 PRESSAVG: 3530200 23.9583 46.0974 -24.8897 46.0974 -33.9982 2.52639 -24.8897 2.52647 16.887 GPRESSAVG: 3530200 23.9969 46.5432 -24.9165 46.2317 -33.3338 1.27208 -23.8337 4.40241 16.234 TIMING: 3530200 CPU: 11236.3, 0.00396916/step Wall: 11236.3, 0.00396916/step, 1.62052 hours remaining, 233.695312 MB of memory in use. ENERGY: 3530200 4047.8506 20550.9653 14532.2077 248.4578 -203768.5849 2836.7605 0.0000 0.0000 51894.9374 -109657.4058 298.2409 -161552.3431 -109292.8577 299.3931 69.7038 97.1337 761184.0568 2.2823 2.2990 PRESSURE: 3530400 178.776 36.9703 -150.995 36.9705 -22.1794 95.4942 -150.996 95.4937 1.67583 GPRESSURE: 3530400 192.851 46.5897 -273.486 119.315 -20.713 90.3717 -106.874 43.6561 76.0235 PRESSAVG: 3530400 51.1083 66.4261 -26.748 66.4261 -83.8424 0.939549 -26.748 0.939542 -33.1936 GPRESSAVG: 3530400 51.5319 66.3603 -28.6814 66.8532 -83.9073 1.91013 -26.3306 0.678996 -33.3069 TIMING: 3530400 CPU: 11237.1, 0.00395468/step Wall: 11237.1, 0.00395468/step, 1.61439 hours remaining, 233.695312 MB of memory in use. ENERGY: 3530400 3944.4475 20521.3670 14545.1097 264.5597 -203376.3997 2676.9697 0.0000 0.0000 51792.9462 -109631.0000 297.6548 -161423.9462 -109268.9226 298.3633 52.7574 82.7206 762342.4200 -21.9759 -21.8941 PRESSURE: 3530600 -265.018 -20.9929 -164.842 -20.9929 79.1117 -11.8805 -164.841 -11.8807 81.9574 GPRESSURE: 3530600 -100.176 -50.6827 -59.2819 -25.8004 93.407 -17.3146 -166.519 39.2502 7.32527 PRESSAVG: 3530600 25.9543 38.0001 -20.1011 38.0001 -28.3437 -1.73711 -20.101 -1.73707 15.0262 GPRESSAVG: 3530600 24.7542 38.2693 -19.725 36.0822 -27.4336 -3.04394 -20.2385 -1.93494 15.8405 TIMING: 3530600 CPU: 11237.9, 0.00394979/step Wall: 11237.9, 0.00394979/step, 1.61217 hours remaining, 233.695312 MB of memory in use. ENERGY: 3530600 4019.7675 20534.8726 14560.0429 252.8581 -203761.3469 2762.9625 0.0000 0.0000 51995.4129 -109635.4304 298.8184 -161630.8433 -109269.1219 299.0117 -34.6495 0.1853 760683.8808 4.2123 4.3870 PRESSURE: 3530800 121.217 200.482 -80.2394 200.482 -163.723 182.696 -80.2401 182.698 -109.998 GPRESSURE: 3530800 94.1521 217.214 -107.545 223.674 -171.831 168.321 -125.049 48.7704 -13.1048 PRESSAVG: 3530800 -31.7272 0.416921 -21.8963 0.416905 -6.02565 -6.20441 -21.8963 -6.20439 0.893972 GPRESSAVG: 3530800 -31.244 0.705965 -21.5527 1.22029 -6.64181 -6.39633 -24.6399 -7.70341 0.470771 TIMING: 3530800 CPU: 11238.7, 0.00394434/step Wall: 11238.7, 0.00394434/step, 1.60973 hours remaining, 233.695312 MB of memory in use. ENERGY: 3530800 4022.1119 20737.7577 14475.8825 260.5555 -203350.6175 2412.7866 0.0000 0.0000 51814.8447 -109626.6786 297.7806 -161441.5234 -109263.5111 298.9433 -50.8344 -30.2611 763742.8371 -12.2863 -12.4717 PRESSURE: 3531000 26.0472 11.2772 -103.261 11.2773 -236.775 40.5173 -103.261 40.5168 -1.46107 GPRESSURE: 3531000 52.2018 -58.3729 -81.2113 -38.5089 -162.87 -1.98096 5.08473 175.048 -23.6896 PRESSAVG: 3531000 3.29699 27.2034 -38.2017 27.2034 -8.55378 -0.526932 -38.2018 -0.526982 10.7265 GPRESSAVG: 3531000 4.22352 26.824 -38.8355 27.4098 -8.63061 0.0842531 -35.3921 0.647529 10.165 TIMING: 3531000 CPU: 11239.5, 0.00396733/step Wall: 11239.5, 0.00396733/step, 1.61889 hours remaining, 233.695312 MB of memory in use. ENERGY: 3531000 4106.7720 20390.0203 14541.1187 224.6848 -203240.9426 2389.6317 0.0000 0.0000 51900.2892 -109688.4259 298.2717 -161588.7151 -109326.3807 298.6463 -70.7297 -44.7860 762491.8786 1.8232 1.9193 PRESSURE: 3531200 -197.233 82.8093 18.5888 82.809 -344.882 -7.72125 18.5883 -7.7206 -353.663 GPRESSURE: 3531200 -165.478 47.2829 39.0636 28.5926 -361.634 56.0733 -47.71 -43.2142 -288.281 PRESSAVG: 3531200 59.0836 4.21513 -16.65 4.21511 -28.2481 15.6293 -16.65 15.6294 1.13883 GPRESSAVG: 3531200 58.6372 1.94498 -15.6617 4.13724 -28.3351 15.4428 -18.0614 16.0319 1.26914 TIMING: 3531200 CPU: 11240.3, 0.00395624/step Wall: 11240.3, 0.00395624/step, 1.61415 hours remaining, 233.695312 MB of memory in use. ENERGY: 3531200 4093.0059 20592.6318 14566.5766 259.9653 -203214.0407 2147.5476 0.0000 0.0000 51925.1759 -109629.1376 298.4147 -161554.3136 -109269.9621 298.6243 -298.5927 -271.7978 762510.8281 10.6581 10.5238 PRESSURE: 3531400 338.188 -88.9917 175.182 -88.9925 467.656 -116.657 175.183 -116.658 -111.587 GPRESSURE: 3531400 400.242 9.09702 34.693 -169.45 439.383 -78.2726 65.4299 -96.6623 -58.1044 PRESSAVG: 3531400 16.6304 23.6156 -25.1523 23.6156 -32.9238 22.4942 -25.1523 22.4942 3.2392 GPRESSAVG: 3531400 16.8828 23.1027 -25.6454 24.6752 -32.7874 23.7671 -24.6453 20.5255 2.80853 TIMING: 3531400 CPU: 11241, 0.00396747/step Wall: 11241, 0.00396747/step, 1.61851 hours remaining, 233.695312 MB of memory in use. ENERGY: 3531400 4018.1877 20521.2772 14531.5823 252.9052 -203605.0558 2683.3382 0.0000 0.0000 52067.1973 -109530.5679 299.2309 -161597.7652 -109163.8812 298.9183 231.4190 260.5069 760043.2533 -4.3514 -4.3654 PRESSURE: 3531600 223.661 -131.9 72.2473 -131.901 187.381 -64.6198 72.2479 -64.62 -116.156 GPRESSURE: 3531600 163.611 16.8938 69.7044 -92.8491 279.598 -4.34368 -26.8527 -47.2966 -59.6548 PRESSAVG: 3531600 16.882 21.3863 -34.5664 21.3863 -5.26379 -4.67311 -34.5663 -4.6731 -13.8379 GPRESSAVG: 3531600 16.2344 25.9051 -34.2917 21.3838 -3.9611 -4.66007 -34.0788 -2.75728 -14.5094 TIMING: 3531600 CPU: 11241.8, 0.00400075/step Wall: 11241.8, 0.00400075/step, 1.63186 hours remaining, 233.695312 MB of memory in use. ENERGY: 3531600 4042.5622 20437.3774 14522.4616 263.3222 -203557.6316 2766.4603 0.0000 0.0000 51930.1412 -109595.3067 298.4432 -161525.4479 -109228.2462 298.7517 98.2953 127.8514 761260.5924 -0.7399 -0.7454 PRESSURE: 3531800 -200.246 89.3459 -72.4227 89.3453 -168.225 -65.7306 -72.4215 -65.7301 -104.573 GPRESSURE: 3531800 -103.825 -15.8783 -93.7619 -19.7288 -110.451 -14.6939 66.3972 62.4404 -167.497 PRESSAVG: 3531800 56.8525 -18.7377 -45.337 -18.7376 -45.6923 32.6695 -45.337 32.6695 12.8212 GPRESSAVG: 3531800 56.5512 -19.8911 -46.8536 -20.3826 -46.2359 32.3819 -44.7402 34.1228 13.1348 TIMING: 3531800 CPU: 11242.6, 0.00398114/step Wall: 11242.6, 0.00398114/step, 1.62364 hours remaining, 233.695312 MB of memory in use. ENERGY: 3531800 4040.3132 20350.4769 14525.7596 230.6357 -203436.8334 2573.3355 0.0000 0.0000 52214.4981 -109501.8144 300.0774 -161716.3125 -109136.8192 299.1081 -157.6813 -127.2576 761224.2656 7.9938 7.8167 PRESSURE: 3532000 135.79 -34.4598 -245.821 -34.4597 -1.41598 321.049 -245.821 321.049 -68.4777 GPRESSURE: 3532000 140.509 -53.8059 -296.146 28.413 79.0668 264.6 -147.604 284.943 -67.6611 PRESSAVG: 3532000 8.7685 14.2567 -61.011 14.2567 -10.4118 32.9354 -61.011 32.9354 -4.28486 GPRESSAVG: 3532000 8.76978 12.6597 -59.4237 17.2126 -11.6821 32.0103 -61.4478 32.6329 -3.67423 TIMING: 3532000 CPU: 11243.4, 0.00401839/step Wall: 11243.4, 0.00401839/step, 1.63861 hours remaining, 233.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3532000 4025.4310 20358.9167 14469.2166 234.6497 -203549.8797 2719.7203 0.0000 0.0000 52171.8033 -109570.1421 299.8321 -161741.9454 -109202.6615 299.8276 21.9654 50.6382 761748.6016 -1.9761 -2.1955 PRESSURE: 3532200 -47.5298 331.98 157.181 331.98 25.2423 164.423 157.182 164.423 -351.915 GPRESSURE: 3532200 -3.87361 287.449 147.577 248.823 36.5343 164.431 134.351 39.6057 -335.148 PRESSAVG: 3532200 3.5308 16.3907 -40.6164 16.3906 -31.3364 -18.3662 -40.6165 -18.3661 15.4054 GPRESSAVG: 3532200 3.24862 16.0513 -39.5569 15.6271 -31.1525 -17.5195 -39.9018 -21.2951 15.5442 TIMING: 3532200 CPU: 11244.2, 0.00397435/step Wall: 11244.2, 0.00397435/step, 1.62043 hours remaining, 233.695312 MB of memory in use. ENERGY: 3532200 4002.1324 20491.8967 14439.8536 249.9053 -203249.6737 2571.9629 0.0000 0.0000 51880.0907 -109613.8322 298.1556 -161493.9229 -109255.2883 298.2886 -124.7341 -100.8292 762698.5631 -4.1334 -4.1199 LDB: ============= START OF LOAD BALANCING ============== 11256.7 LDB: ============== END OF LOAD BALANCING =============== 11256.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11256.7 LDB: ============= START OF LOAD BALANCING ============== 11257.1 LDB: Largest compute 7068 load 0.030181 is 15.6% of average load 0.193283 LDB: Average compute 0.004428 is 2.3% of average load 0.193283 LDB: TIME 11257.2 LOAD: AVG 0.193283 MAX 0.213519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.348 MB LDB: TIME 11257.2 LOAD: AVG 0.193283 MAX 0.213519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.551 MB LDB: TIME 11257.2 LOAD: AVG 0.193283 MAX 0.213519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.551 MB LDB: ============== END OF LOAD BALANCING =============== 11257.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11257.2 PRESSURE: 3532400 10.1765 -177.579 36.4498 -177.579 -194.807 -181.822 36.4507 -181.821 -118.499 GPRESSURE: 3532400 32.2706 -202.069 21.789 -209.094 -147.084 -156.498 -29.6708 -185.504 -113.882 PRESSAVG: 3532400 68.45 27.6103 -38.4653 27.6103 -34.7383 -10.0234 -38.4653 -10.0234 9.70702 GPRESSAVG: 3532400 68.882 26.5312 -39.0018 27.8037 -34.9346 -9.5056 -40.2881 -9.39353 9.31274 TIMING: 3532400 CPU: 11245.1, 0.00405438/step Wall: 11245.1, 0.00405438/step, 1.65284 hours remaining, 233.945312 MB of memory in use. ENERGY: 3532400 3875.4453 20635.4486 14499.2641 262.2624 -203374.9272 2474.6432 0.0000 0.0000 52095.6167 -109532.2469 299.3942 -161627.8637 -109170.9768 298.9663 -101.0432 -76.2319 761879.9708 14.4729 14.4200 PRESSURE: 3532600 -80.169 42.1721 -211.789 42.1719 215.635 203.856 -211.789 203.855 -148.207 GPRESSURE: 3532600 -6.98491 136.408 -175.069 35.7912 142.437 269.483 -62.579 189.274 -36.1498 PRESSAVG: 3532600 33.0745 -32.6242 -7.69701 -32.6242 -27.8004 -5.65934 -7.69701 -5.65935 -8.87321 GPRESSAVG: 3532600 34.0438 -31.8815 -7.12235 -34.2831 -28.6588 -5.10962 -9.20084 -5.72474 -8.99179 TIMING: 3532600 CPU: 11245.8, 0.00395302/step Wall: 11245.8, 0.00395302/step, 1.6113 hours remaining, 234.148438 MB of memory in use. ENERGY: 3532600 3961.9721 20671.7577 14553.1690 259.8939 -203534.1301 2566.9722 0.0000 0.0000 52115.5204 -109404.8447 299.5086 -161520.3651 -109042.6752 299.4453 -4.2470 33.1008 760649.8422 -1.1997 -1.2022 PRESSURE: 3532800 172.789 -64.2709 -56.0649 -64.2711 82.7743 88.3532 -56.0652 88.3536 -12.7112 GPRESSURE: 3532800 68.6385 60.934 -8.14726 -87.2272 188.271 117.349 -88.2105 121.524 51.7708 PRESSAVG: 3532800 -30.3141 -0.675036 -24.2425 -0.675041 1.60582 25.3303 -24.2425 25.3305 10.0179 GPRESSAVG: 3532800 -30.9972 -1.14375 -25.9008 1.44915 3.4642 26.4066 -21.3137 24.7871 8.76067 TIMING: 3532800 CPU: 11246.6, 0.00398584/step Wall: 11246.6, 0.00398584/step, 1.62445 hours remaining, 234.148438 MB of memory in use. ENERGY: 3532800 3945.7087 20438.1515 14468.4287 269.4911 -203288.2051 2357.0453 0.0000 0.0000 52542.4697 -109266.9101 301.9623 -161809.3799 -108894.1802 299.6414 80.9506 102.8934 760724.5998 -6.2301 -6.2574 PRESSURE: 3533000 -255.332 -130.575 209.619 -130.574 64.0884 99.4054 209.62 99.4052 337.002 GPRESSURE: 3533000 -224.258 -204.287 203.556 -35.0969 138.273 94.9163 129.766 25.4086 319.316 PRESSAVG: 3533000 46.5466 -9.9352 -11.6173 -9.9352 -38.7994 63.0414 -11.6173 63.0415 -1.66384 GPRESSAVG: 3533000 46.4824 -11.259 -12.2221 -10.3226 -39.5517 62.3402 -13.7467 63.7732 -0.664487 TIMING: 3533000 CPU: 11247.4, 0.00397832/step Wall: 11247.4, 0.00397832/step, 1.62117 hours remaining, 234.406250 MB of memory in use. ENERGY: 3533000 4069.2082 20466.1763 14557.1235 228.5478 -203600.0534 2845.0303 0.0000 0.0000 52164.4640 -109269.5033 299.7899 -161433.9673 -108903.7337 299.8896 48.5860 77.7770 762035.7700 2.0278 2.0887 PRESSURE: 3533200 449.733 52.3105 -17.0306 52.3103 252.538 165.379 -17.0311 165.38 1059.18 GPRESSURE: 3533200 600.518 80.6349 26.2133 -9.09732 189.868 46.5992 -48.0852 291.022 1020.04 PRESSAVG: 3533200 51.2838 -73.0899 -7.25297 -73.0899 -66.4011 19.331 -7.25299 19.3309 2.66861 GPRESSAVG: 3533200 50.9263 -70.5669 -6.65795 -75.3035 -65.3746 17.4871 -7.66466 18.5907 1.44456 TIMING: 3533200 CPU: 11248.2, 0.00397037/step Wall: 11248.2, 0.00397037/step, 1.6177 hours remaining, 234.406250 MB of memory in use. ENERGY: 3533200 3908.6308 20672.8522 14514.7596 274.8661 -203478.1546 2645.8350 0.0000 0.0000 52341.4783 -109119.7327 300.8072 -161461.2110 -108759.7529 300.3311 587.1515 603.4750 761232.9319 -4.1495 -4.3346 PRESSURE: 3533400 192.716 86.2627 -68.3901 86.2634 360.061 77.6287 -68.3899 77.6296 169.377 GPRESSURE: 3533400 246.063 16.5308 -51.4876 56.9053 436.203 44.4949 36.3333 212.919 123.163 PRESSAVG: 3533400 60.6019 19.3923 -6.06011 19.3922 -34.2212 21.6508 -6.06009 21.6508 -5.51091 GPRESSAVG: 3533400 61.2365 17.5096 -4.17585 22.1973 -34.9968 22.7151 -3.27775 21.7538 -5.12527 TIMING: 3533400 CPU: 11249, 0.00396664/step Wall: 11249, 0.00396664/step, 1.61596 hours remaining, 234.406250 MB of memory in use. ENERGY: 3533400 3971.6994 20634.2333 14551.3264 262.0520 -203675.9564 2840.6506 0.0000 0.0000 52326.0140 -109089.9807 300.7183 -161415.9947 -108739.3669 299.8726 240.7182 268.4759 760753.5610 6.9566 7.0381 PRESSURE: 3533600 52.4216 -64.6528 234.075 -64.6521 -231.76 -149.759 234.074 -149.76 -102.996 GPRESSURE: 3533600 109.089 37.1507 244.506 -108.261 -189.533 -163.697 191.168 -151.565 -103.569 PRESSAVG: 3533600 18.1077 10.4357 -1.96877 10.4356 -19.5222 -7.12477 -1.96876 -7.12474 14.5358 GPRESSAVG: 3533600 17.4714 11.475 -3.15532 8.82855 -19.3819 -8.20165 -3.57151 -4.30872 15.3142 TIMING: 3533600 CPU: 11249.8, 0.00398293/step Wall: 11249.8, 0.00398293/step, 1.62238 hours remaining, 234.406250 MB of memory in use. ENERGY: 3533600 3983.0546 20600.0318 14458.3418 254.7140 -203326.8882 2683.0135 0.0000 0.0000 52119.9843 -109227.7483 299.5343 -161347.7325 -108861.4796 300.0330 -94.1114 -61.3378 762262.0315 4.3738 4.4679 PRESSURE: 3533800 -107.798 84.9224 -366.742 84.9234 -28.9239 -169.79 -366.743 -169.79 -74.8497 GPRESSURE: 3533800 -104.421 32.6801 -328.784 67.1198 18.0334 -121.015 -303.294 -146.23 -19.3602 PRESSAVG: 3533800 15.1423 28.305 -54.0671 28.3051 -33.113 10.3682 -54.0671 10.3682 32.9039 GPRESSAVG: 3533800 15.1209 27.9152 -54.0424 27.8136 -33.0453 11.6302 -52.9945 7.94907 34.0727 TIMING: 3533800 CPU: 11250.6, 0.00399323/step Wall: 11250.6, 0.00399323/step, 1.62635 hours remaining, 234.406250 MB of memory in use. ENERGY: 3533800 4030.8098 20523.6268 14413.5395 234.3402 -203181.8086 2604.6634 0.0000 0.0000 52086.3564 -109288.4725 299.3410 -161374.8289 -108919.7145 299.6650 -70.5239 -35.2494 762957.0940 4.9778 5.3828 PRESSURE: 3534000 -317.801 140.839 130.857 140.839 -218.946 -175.701 130.857 -175.699 -221.061 GPRESSURE: 3534000 -313.108 100.765 174.8 132.517 -244.502 -141.716 81.2131 -159.211 -144.74 PRESSAVG: 3534000 47.197 69.2503 -47.3999 69.2503 -32.6718 -21.0977 -47.3999 -21.0976 -3.98909 GPRESSAVG: 3534000 48.1424 71.1231 -47.0179 69.6282 -31.9601 -21.1422 -48.8935 -20.9436 -5.45567 TIMING: 3534000 CPU: 11251.4, 0.00399408/step Wall: 11251.4, 0.00399408/step, 1.62648 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 4030.8308 20577.3216 14522.9970 233.4647 -203351.7314 2243.4043 0.0000 0.0000 52341.5592 -109402.1538 300.8077 -161743.7130 -109026.2808 300.0517 -252.6026 -234.1166 761562.3129 3.5120 3.5755 PRESSURE: 3534200 -2.7544 -19.6806 197.293 -19.6806 -75.5906 53.9002 197.293 53.8999 305.598 GPRESSURE: 3534200 114.219 54.1398 157.281 33.292 -54.322 117.98 147.983 158.85 271.194 PRESSAVG: 3534200 81.8227 44 -32.7996 44 -51.7095 -60.5386 -32.7996 -60.5387 -15.6757 GPRESSAVG: 3534200 80.7046 43.6703 -32.5144 42.599 -52.3779 -59.9649 -30.5408 -58.8355 -14.1939 TIMING: 3534200 CPU: 11252.2, 0.00397297/step Wall: 11252.2, 0.00397297/step, 1.61766 hours remaining, 234.406250 MB of memory in use. ENERGY: 3534200 4022.9240 20454.2365 14484.2075 247.3382 -203454.1563 2702.0279 0.0000 0.0000 52193.8466 -109349.5756 299.9588 -161543.4222 -108977.6315 299.5241 75.7511 110.3638 761144.9255 4.8125 4.7109 PRESSURE: 3534400 -354.73 -151.86 -167.916 -151.86 -469.729 83.7182 -167.916 83.7188 -274.367 GPRESSURE: 3534400 -223.61 -118.873 -172.637 -18.5867 -461.721 32.8598 -204.75 33.0308 -295.454 PRESSAVG: 3534400 16.0779 3.0787 -49.7349 3.0787 -25.0513 -12.6183 -49.735 -12.6183 -27.1906 GPRESSAVG: 3534400 16.5654 1.94791 -49.834 5.77015 -24.0703 -12.5676 -52.7871 -14.8235 -29.1232 TIMING: 3534400 CPU: 11253, 0.0039823/step Wall: 11253, 0.0039823/step, 1.62124 hours remaining, 234.406250 MB of memory in use. ENERGY: 3534400 3961.6475 20573.0738 14522.9981 258.9423 -203285.5450 2393.9916 0.0000 0.0000 52226.6086 -109348.2829 300.1470 -161574.8915 -108980.4131 299.5425 -366.2754 -326.9282 763071.0000 -12.0547 -12.2094 PRESSURE: 3534600 98.5612 57.6273 1.78242 57.6277 -559.274 3.75265 1.78215 3.75163 158.736 GPRESSURE: 3534600 21.0858 59.6569 66.2747 139.837 -451.205 58.2177 52.4582 -61.228 195.587 PRESSAVG: 3534600 62.7969 -13.574 -32.3468 -13.574 -5.61785 25.5267 -32.3467 25.5266 -1.17056 GPRESSAVG: 3534600 62.2465 -12.238 -33.1846 -15.8452 -6.59604 26.2291 -29.064 24.0233 0.346958 TIMING: 3534600 CPU: 11253.8, 0.00397348/step Wall: 11253.8, 0.00397348/step, 1.61743 hours remaining, 234.406250 MB of memory in use. ENERGY: 3534600 3962.4160 20690.9753 14483.6703 255.5996 -203433.1404 2285.1293 0.0000 0.0000 52234.4195 -109520.9305 300.1919 -161755.3500 -109137.3928 299.5467 -100.6590 -78.1773 763204.1330 18.6695 18.6658 PRESSURE: 3534800 0.156947 -46.0407 -83.9414 -46.0411 5.88959 53.4195 -83.942 53.4201 -126.589 GPRESSURE: 3534800 -17.3547 -137.234 -52.6541 91.4765 43.4473 55.5137 -256.796 105.969 -86.0087 PRESSAVG: 3534800 -31.9535 -26.1046 23.8566 -26.1046 24.2526 51.7163 23.8566 51.7163 13.0141 GPRESSAVG: 3534800 -31.9061 -28.4143 24.5695 -25.4905 24.9208 49.0193 24.0252 53.9952 12.5217 TIMING: 3534800 CPU: 11254.6, 0.00395481/step Wall: 11254.6, 0.00395481/step, 1.60961 hours remaining, 234.406250 MB of memory in use. ENERGY: 3534800 4005.6683 20656.8230 14442.7517 243.6912 -203541.9518 2550.2233 0.0000 0.0000 52097.4602 -109545.3342 299.4048 -161642.7944 -109183.8443 299.0823 -40.1810 -19.9720 761129.1339 1.7711 1.8455 PRESSURE: 3535000 353.689 65.7836 121.957 65.7847 19.5342 328.462 121.956 328.463 -468.231 GPRESSURE: 3535000 411.894 -58.5469 116.944 -7.22215 17.961 370.619 207.227 200.745 -445.009 PRESSAVG: 3535000 7.70285 -20.0146 -35.1049 -20.0146 21.4632 -35.2813 -35.1049 -35.2813 1.38394 GPRESSAVG: 3535000 8.9921 -19.6203 -35.8694 -19.6818 21.814 -33.3914 -35.3141 -35.256 0.544871 TIMING: 3535000 CPU: 11255.4, 0.00396912/step Wall: 11255.4, 0.00396912/step, 1.61521 hours remaining, 234.406250 MB of memory in use. ENERGY: 3535000 3978.2681 20488.4446 14541.6629 251.3278 -203150.7821 2556.1663 0.0000 0.0000 51867.8872 -109467.0251 298.0855 -161334.9123 -109108.4035 299.3927 -31.6692 -5.0514 760890.1805 10.1833 10.4503 PRESSURE: 3535200 270.523 77.5786 -57.6905 77.578 87.6343 120.671 -57.6906 120.67 545.408 GPRESSURE: 3535200 225.199 22.4598 -152.692 216.069 181.712 35.8705 -126.649 187.004 574.61 PRESSAVG: 3535200 5.27706 73.1365 5.66588 73.1366 -51.4596 -36.38 5.66585 -36.38 -20.3817 GPRESSAVG: 3535200 4.81513 72.7941 5.71901 74.2504 -52.041 -36.1707 3.90347 -37.1183 -19.0172 TIMING: 3535200 CPU: 11256.2, 0.0039639/step Wall: 11256.2, 0.0039639/step, 1.61287 hours remaining, 234.406250 MB of memory in use. ENERGY: 3535200 3962.3023 20433.9531 14472.1246 220.8454 -203532.2776 2939.2876 0.0000 0.0000 52029.2226 -109474.5422 299.0127 -161503.7647 -109100.5250 299.0509 301.1885 327.1735 760875.8423 -22.1881 -22.0810 PRESSURE: 3535400 -11.3244 116.424 92.7972 116.425 -36.361 172.139 92.7972 172.14 67.4418 GPRESSURE: 3535400 -24.5552 209.464 127.226 61.9496 25.1489 143.535 -35.9939 167.44 97.8856 PRESSAVG: 3535400 36.8911 39.3689 6.28607 39.369 -54.1272 3.79364 6.28608 3.79357 7.65679 GPRESSAVG: 3535400 36.6038 39.92 7.59658 36.6058 -52.4491 4.46644 5.18619 3.11581 6.33457 TIMING: 3535400 CPU: 11257, 0.00396329/step Wall: 11257, 0.00396329/step, 1.6124 hours remaining, 234.406250 MB of memory in use. ENERGY: 3535400 4053.2695 20482.7578 14441.1911 226.0292 -203012.6585 2423.8467 0.0000 0.0000 52015.0018 -109370.5624 298.9309 -161385.5642 -109010.4359 299.2392 6.5854 32.8264 762726.5572 -3.1931 -3.1702 PRESSURE: 3535600 -191.095 -202.815 128.091 -202.815 -263.469 -117.331 128.092 -117.331 -410.442 GPRESSURE: 3535600 -71.1341 -148.609 92.1277 -57.6153 -294.849 -50.8259 160.576 -43.5275 -405.015 PRESSAVG: 3535600 48.5314 25.9459 17.1936 25.9459 -56.3713 28.9254 17.1935 28.9255 8.81334 GPRESSAVG: 3535600 49.7031 23.8321 15.6393 30.0005 -56.4596 28.149 17.7605 30.2647 8.77972 TIMING: 3535600 CPU: 11257.8, 0.00397095/step Wall: 11257.8, 0.00397095/step, 1.6153 hours remaining, 234.406250 MB of memory in use. ENERGY: 3535600 4020.1063 20633.5557 14436.1227 244.4520 -203245.1963 2313.6882 0.0000 0.0000 52111.7224 -109485.5491 299.4868 -161597.2714 -109126.0876 299.1855 -288.3352 -256.9994 760814.5586 0.3245 0.6744 PRESSURE: 3535800 37.8411 84.4016 -127.38 84.4024 -296.919 194.171 -127.381 194.171 -302.472 GPRESSURE: 3535800 30.5178 207.01 -115.179 -5.37179 -162.811 128.898 -75.1486 175.93 -354.541 PRESSAVG: 3535800 1.58472 -3.99204 53.4636 -3.99204 -18.9134 -11.2655 53.4636 -11.2655 1.46122 GPRESSAVG: 3535800 1.49213 -2.28305 53.7799 -6.43922 -19.5582 -12.2759 53.3465 -10.1902 2.02469 TIMING: 3535800 CPU: 11258.6, 0.00395045/step Wall: 11258.6, 0.00395045/step, 1.60674 hours remaining, 234.406250 MB of memory in use. ENERGY: 3535800 3991.5671 20628.2951 14466.2077 261.0848 -202945.8533 2161.7731 0.0000 0.0000 52084.6652 -109352.2603 299.3313 -161436.9255 -108987.8365 299.7827 -187.1832 -162.2780 761596.2214 -5.2891 -5.3471 PRESSURE: 3536000 145.883 -36.5864 120.152 -36.5861 -103.388 -94.8936 120.153 -94.8928 227.038 GPRESSURE: 3536000 196.049 -38.7169 85.9413 -7.66746 -50.7814 -107.216 176.967 -23.5303 196.074 PRESSAVG: 3536000 -12.5175 8.6378 27.7941 8.63779 33.2646 -44.7365 27.7942 -44.7365 -12.2131 GPRESSAVG: 3536000 -13.0298 10.0386 28.5121 9.24532 33.1137 -44.4056 28.0131 -43.9257 -11.7606 TIMING: 3536000 CPU: 11259.4, 0.00395729/step Wall: 11259.4, 0.00395729/step, 1.6093 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 3941.2431 20477.6853 14466.4158 254.6871 -203231.4044 2348.4077 0.0000 0.0000 52289.9049 -109453.0606 300.5108 -161742.9655 -109090.2678 299.0710 89.8444 113.7804 760549.7630 2.8446 2.7744 PRESSURE: 3536200 -93.0247 19.8116 -157.633 19.8113 -352.353 -51.7669 -157.633 -51.768 116.106 GPRESSURE: 3536200 -40.4365 31.5066 -177.887 -59.9672 -289.428 4.00887 -146.757 -53.673 90.9238 PRESSAVG: 3536200 32.2969 11.7547 -22.1686 11.7545 -51.2393 9.16417 -22.1686 9.1641 1.64809 GPRESSAVG: 3536200 33.1881 8.57004 -24.6529 11.0953 -50.2131 10.2463 -20.7792 9.20116 -0.0606852 TIMING: 3536200 CPU: 11260.1, 0.00395243/step Wall: 11260.1, 0.00395243/step, 1.6071 hours remaining, 234.406250 MB of memory in use. ENERGY: 3536200 3961.7462 20378.8876 14518.0325 240.1541 -203263.5259 2600.2220 0.0000 0.0000 52106.1828 -109458.3007 299.4549 -161564.4835 -109096.5716 299.4303 -109.7570 -79.6468 760764.1065 -5.7648 -5.6952 LDB: ============= START OF LOAD BALANCING ============== 11272.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11272.6 LDB: =============== DONE WITH MIGRATION ================ 11272.6 LDB: ============= START OF LOAD BALANCING ============== 11273 LDB: Largest compute 7068 load 0.031389 is 16.2% of average load 0.193344 LDB: Average compute 0.004442 is 2.3% of average load 0.193344 LDB: TIME 11273 LOAD: AVG 0.193344 MAX 0.213817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.289 MB LDB: TIME 11273 LOAD: AVG 0.193344 MAX 0.213817 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.488 MB LDB: TIME 11273 LOAD: AVG 0.193344 MAX 0.213817 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.488 MB LDB: ============== END OF LOAD BALANCING =============== 11273 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11273.1 PRESSURE: 3536400 55.2912 -78.369 67.4587 -78.3691 0.251418 38.4534 67.4583 38.4534 17.4403 GPRESSURE: 3536400 157.303 25.5377 70.0535 -101.044 -8.47938 1.31296 86.9636 46.3075 17.347 PRESSAVG: 3536400 52.1927 -41.5616 28.5903 -41.5616 4.11211 16.0454 28.5903 16.0454 15.0461 GPRESSAVG: 3536400 51.8521 -38.8175 30.318 -41.7232 2.54051 16.8347 26.0787 15.6232 16.6147 TIMING: 3536400 CPU: 11260.9, 0.00402103/step Wall: 11260.9, 0.00402103/step, 1.63477 hours remaining, 233.570312 MB of memory in use. ENERGY: 3536400 4068.8481 20464.3963 14552.4483 240.5296 -203275.9164 2494.9882 0.0000 0.0000 52147.1592 -109307.5468 299.6904 -161454.7060 -108941.9042 299.2124 24.3276 55.3902 760669.2249 23.7836 23.6691 PRESSURE: 3536600 -247.364 89.4874 101.747 89.4872 -127.27 172.784 101.746 172.783 -16.0017 GPRESSURE: 3536600 -182.88 2.01007 208.666 68.4323 -149.227 97.0112 128.468 207.991 20.215 PRESSAVG: 3536600 67.7587 44.6135 3.7723 44.6136 -36.9841 -4.68949 3.77234 -4.68949 6.54691 GPRESSAVG: 3536600 66.5963 42.1289 5.19798 42.9821 -36.0538 -5.83874 5.80953 -6.96566 6.68892 TIMING: 3536600 CPU: 11261.7, 0.00399224/step Wall: 11261.7, 0.00399225/step, 1.62285 hours remaining, 233.570312 MB of memory in use. ENERGY: 3536600 3956.7145 20592.2775 14414.0678 243.7711 -203368.0592 2636.1298 0.0000 0.0000 52219.2483 -109305.8501 300.1047 -161525.0984 -108954.3635 300.2267 -130.2120 -103.9639 760013.3243 12.4405 12.4105 PRESSURE: 3536800 254.727 176.529 -214.975 176.53 -68.1925 -50.725 -214.974 -50.7256 315.129 GPRESSURE: 3536800 283.873 107.955 -209.741 115.771 -97.8166 -38.235 -138.764 70.3259 385.603 PRESSAVG: 3536800 -1.36733 -12.7944 32.1111 -12.7945 1.84009 5.81901 32.1111 5.81896 -3.11276 GPRESSAVG: 3536800 -0.114731 -11.7748 31.3028 -12.5852 0.254859 6.95404 33.2237 6.8863 -2.96167 TIMING: 3536800 CPU: 11262.5, 0.00399056/step Wall: 11262.5, 0.00399056/step, 1.62194 hours remaining, 233.570312 MB of memory in use. ENERGY: 3536800 3911.2448 20518.1734 14418.2581 250.2903 -203259.6533 2687.9810 0.0000 0.0000 52190.3959 -109283.3098 299.9389 -161473.7057 -108915.3342 299.6733 167.2212 190.5533 762627.8633 -0.8800 -0.9405 PRESSURE: 3537000 99.003 -234.674 49.8835 -234.674 -391.548 -63.6835 49.8836 -63.6842 -332.762 GPRESSURE: 3537000 141.592 -80.2415 57.6794 -183.966 -387.443 -56.7103 66.073 -92.5242 -294.104 PRESSAVG: 3537000 -3.71774 6.31554 46.1566 6.3155 -45.7174 8.90962 46.1567 8.90968 0.288705 GPRESSAVG: 3537000 -3.89964 6.45538 46.0177 6.50753 -45.1367 10.0466 48.4712 8.9048 -0.937064 TIMING: 3537000 CPU: 11263.3, 0.00397684/step Wall: 11263.3, 0.00397683/step, 1.61614 hours remaining, 233.570312 MB of memory in use. ENERGY: 3537000 3967.3079 20570.7365 14479.9285 245.2704 -203300.1685 2794.5116 0.0000 0.0000 52049.6538 -109192.7599 299.1301 -161242.4137 -108832.5980 299.6027 -208.4356 -179.9849 761236.0377 -16.3822 -16.6578 PRESSURE: 3537200 -53.6973 -130.092 -75.8512 -130.092 -392.167 -71.9697 -75.8509 -71.9704 -233.474 GPRESSURE: 3537200 -118.009 -110.256 -107.278 -76.3921 -179.777 -52.2425 -151.998 -54.0572 -287.443 PRESSAVG: 3537200 16.3886 16.9098 -2.84901 16.9098 19.5141 -30.0649 -2.84902 -30.0648 -1.74368 GPRESSAVG: 3537200 15.6863 16.9864 -3.80056 17.5602 20.9069 -32.8264 -5.33582 -31.5106 -1.7121 TIMING: 3537200 CPU: 11264.1, 0.00396483/step Wall: 11264.1, 0.00396483/step, 1.61104 hours remaining, 233.570312 MB of memory in use. ENERGY: 3537200 3937.2026 20396.1270 14544.8223 249.0045 -202908.3363 2220.6451 0.0000 0.0000 52304.6195 -109255.9152 300.5954 -161560.5347 -108884.2804 299.7182 -226.4460 -195.0762 762341.3758 11.3863 11.6271 PRESSURE: 3537400 -225.587 -27.4495 180.727 -27.4494 -61.2104 84.2495 180.726 84.2499 -370.83 GPRESSURE: 3537400 -154.462 -45.6208 130.474 14.2307 -70.5036 109.867 265.928 102.589 -340.437 PRESSAVG: 3537400 14.3566 -40.49 -4.79825 -40.4901 -32.7921 -22.3153 -4.79831 -22.3153 -5.93069 GPRESSAVG: 3537400 13.9702 -41.374 -4.06593 -39.8616 -33.8907 -20.8292 -5.58076 -22.2563 -4.89702 TIMING: 3537400 CPU: 11264.9, 0.00397878/step Wall: 11264.9, 0.00397878/step, 1.61649 hours remaining, 233.570312 MB of memory in use. ENERGY: 3537400 4035.6573 20397.2747 14506.5088 242.1952 -202393.7538 2061.3038 0.0000 0.0000 52130.9569 -109019.8570 299.5973 -161150.8139 -108656.7330 299.7157 -219.2090 -188.4675 762111.0906 -8.1221 -8.2725 PRESSURE: 3537600 1.53386 -165.61 -31.8335 -165.609 -243.246 -132.858 -31.8344 -132.858 -103.881 GPRESSURE: 3537600 -11.4065 -124.872 26.8996 -167.797 -106.269 -143.705 -10.0514 -226.44 -130.467 PRESSAVG: 3537600 24.7209 10.2657 9.69687 10.2657 11.6903 -17.0224 9.69685 -17.0224 14.16 GPRESSAVG: 3537600 23.7041 12.1042 9.50318 9.61981 12.8051 -18.9621 10.4497 -13.0606 14.0732 TIMING: 3537600 CPU: 11265.7, 0.0039728/step Wall: 11265.7, 0.0039728/step, 1.61384 hours remaining, 233.570312 MB of memory in use. ENERGY: 3537600 3891.4364 20429.0566 14495.3740 244.3475 -202463.4794 2165.4725 0.0000 0.0000 52302.9674 -108934.8250 300.5859 -161237.7924 -108567.5443 299.8626 -115.1977 -82.7140 763135.4877 16.8570 16.8608 PRESSURE: 3537800 356.09 -24.3034 -173.469 -24.3037 160.256 174.161 -173.47 174.161 310.743 GPRESSURE: 3537800 435.463 -61.726 -147.096 -124.489 101.864 124.335 -295.858 226.578 395.448 PRESSAVG: 3537800 -15.5961 12.1541 36.1847 12.1541 7.4648 10.241 36.1847 10.241 -2.55917 GPRESSAVG: 3537800 -14.602 10.2475 34.2493 11.9197 5.57374 11.0556 35.4043 7.45952 -2.47938 TIMING: 3537800 CPU: 11266.5, 0.00397536/step Wall: 11266.5, 0.00397536/step, 1.61466 hours remaining, 233.570312 MB of memory in use. ENERGY: 3537800 3971.3095 20291.4167 14564.0390 224.8272 -203078.7380 2669.9110 0.0000 0.0000 52281.9359 -109075.2986 300.4650 -161357.2345 -108708.5377 300.3406 275.6964 310.9249 762784.3284 -3.5635 -3.8359 PRESSURE: 3538000 359.732 -50.5477 -123.828 -50.5475 254.045 -67.0724 -123.828 -67.0719 443.62 GPRESSURE: 3538000 338.257 -47.2758 -165.841 62.5864 327.524 -13.2708 -155.045 90.5333 478.951 PRESSAVG: 3538000 23.3405 -19.8423 -15.2357 -19.8423 -29.2946 9.28921 -15.2357 9.28914 17.2012 GPRESSAVG: 3538000 23.357 -20.5463 -12.9429 -17.6668 -28.2902 9.30979 -15.4931 11.1877 16.0518 TIMING: 3538000 CPU: 11267.3, 0.00398776/step Wall: 11267.3, 0.00398776/step, 1.61947 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3538000 4042.8818 20656.5904 14495.7329 247.8661 -203613.7098 2875.1500 0.0000 0.0000 52121.2573 -109174.2314 299.5416 -161295.4887 -108821.3121 300.1449 352.4653 381.5770 760599.2219 3.7490 3.7062 PRESSURE: 3538200 -40.4311 -164.505 -64.5385 -164.506 125.403 -31.5841 -64.5382 -31.5833 42.4949 GPRESSURE: 3538200 -12.2727 -47.4712 -35.879 -67.7373 186.743 -95.4003 -101.787 -66.8024 39.0246 PRESSAVG: 3538200 16.9348 -5.59478 -22.9247 -5.59484 -4.04275 -14.9179 -22.9247 -14.918 2.64631 GPRESSAVG: 3538200 17.2613 -3.263 -22.1247 -6.90766 -5.11591 -15.728 -22.7425 -15.9383 3.70829 TIMING: 3538200 CPU: 11268.1, 0.00398032/step Wall: 11268.1, 0.00398032/step, 1.61623 hours remaining, 233.570312 MB of memory in use. ENERGY: 3538200 4001.8732 20536.0542 14461.0082 230.5467 -202932.2328 2567.7360 0.0000 0.0000 52140.8185 -108994.1959 299.6540 -161135.0144 -108628.1539 299.8857 42.4889 71.1650 761514.1873 5.1794 5.2846 PRESSURE: 3538400 125.471 -104.293 -66.0183 -104.292 -141.903 -237.98 -66.0178 -237.98 -222.873 GPRESSURE: 3538400 126.932 -32.8338 -7.7129 -57.1511 -185.798 -197.084 -130.709 -225.101 -98.4724 PRESSAVG: 3538400 -4.32095 4.41333 -46.6981 4.41334 37.5491 -10.9891 -46.698 -10.9891 18.466 GPRESSAVG: 3538400 -4.07434 5.30056 -49.0376 4.51554 37.6181 -10.1815 -47.1313 -11.4777 18.7382 TIMING: 3538400 CPU: 11268.9, 0.00397828/step Wall: 11268.9, 0.00397828/step, 1.61518 hours remaining, 233.570312 MB of memory in use. ENERGY: 3538400 4026.1923 20597.4322 14512.3001 246.2722 -203197.7316 2525.2729 0.0000 0.0000 52206.3057 -109083.9563 300.0304 -161290.2620 -108723.6620 299.6296 -79.7682 -52.4462 763498.4869 17.2314 17.4273 PRESSURE: 3538600 -307.086 149.431 -209.081 149.431 -107.83 88.2224 -209.08 88.2219 223.111 GPRESSURE: 3538600 -197.462 236.908 -192.709 254.57 -76.8218 144.833 -113.896 -22.341 168.959 PRESSAVG: 3538600 19.3093 9.56643 -39.8633 9.56641 -36.548 -25.1053 -39.8634 -25.1054 -6.65514 GPRESSAVG: 3538600 19.9065 5.84402 -38.6983 12.1648 -36.625 -24.3443 -39.8586 -26.5224 -7.43937 TIMING: 3538600 CPU: 11269.7, 0.00396165/step Wall: 11269.7, 0.00396165/step, 1.60821 hours remaining, 233.570312 MB of memory in use. ENERGY: 3538600 3975.9479 20724.3322 14510.4638 247.1184 -202863.2624 2335.1804 0.0000 0.0000 52043.0780 -109027.1418 299.0923 -161070.2198 -108675.2652 299.9820 -63.9349 -35.1083 762164.6901 -7.9646 -8.0526 PRESSURE: 3538800 -42.1136 95.0158 185.032 95.015 -213.46 -17.3888 185.032 -17.3877 -175.865 GPRESSURE: 3538800 -66.6126 -62.6683 165.568 89.724 -114.612 10.492 202.369 23.8073 -172.346 PRESSAVG: 3538800 10.3791 10.7925 23.7956 10.7925 -21.6847 28.0692 23.7956 28.0692 -9.36299 GPRESSAVG: 3538800 9.23027 10.7514 25.7786 8.56223 -20.5338 27.7495 24.0537 30.1502 -9.60381 TIMING: 3538800 CPU: 11270.5, 0.00393815/step Wall: 11270.5, 0.00393815/step, 1.59845 hours remaining, 233.570312 MB of memory in use. ENERGY: 3538800 4033.9538 20627.0979 14502.6983 272.1150 -203344.6734 2484.5451 0.0000 0.0000 52416.6331 -109007.6301 301.2391 -161424.2632 -108644.5956 300.3003 -143.8128 -117.8569 762324.6719 -6.8895 -6.9691 PRESSURE: 3539000 27.9275 -269.922 57.7548 -269.922 -39.8222 331.858 57.7548 331.857 -369.434 GPRESSURE: 3539000 94.5528 -198.449 71.2073 -312.117 -24.7863 249.554 -68.0649 306.689 -360.578 PRESSAVG: 3539000 28.2395 6.52218 48.4855 6.52216 -38.6974 -7.38594 48.4854 -7.38591 -33.9187 GPRESSAVG: 3539000 27.5199 8.15055 45.7434 6.88048 -39.1199 -8.37368 49.0439 -6.57856 -33.2505 TIMING: 3539000 CPU: 11271.3, 0.00397533/step Wall: 11271.3, 0.00397533/step, 1.61332 hours remaining, 233.570312 MB of memory in use. ENERGY: 3539000 3993.2335 20653.4386 14547.6878 236.3004 -203698.6026 2742.9271 0.0000 0.0000 52421.5942 -109103.4209 301.2676 -161525.0152 -108739.4016 300.5426 -127.1095 -96.9370 762667.5278 -14.7922 -14.9502 PRESSURE: 3539200 -20.8114 148.227 77.6891 148.227 -188.137 -5.4748 77.6889 -5.4757 -224.167 GPRESSURE: 3539200 71.4436 120.703 56.5061 153.645 -169.78 -3.77747 177.073 -96.2968 -247.428 PRESSAVG: 3539200 69.7105 -10.2144 23.9896 -10.2144 -21.3433 31.5081 23.9895 31.508 -3.87579 GPRESSAVG: 3539200 70.762 -10.5939 24.4278 -11.6104 -22.8512 30.6724 24.4136 30.6602 -3.28666 TIMING: 3539200 CPU: 11272.1, 0.00397093/step Wall: 11272.1, 0.00397093/step, 1.61132 hours remaining, 233.570312 MB of memory in use. ENERGY: 3539200 4036.3873 20545.8711 14571.8371 240.6274 -203624.9207 2746.8318 0.0000 0.0000 52312.2261 -109171.1399 300.6391 -161483.3659 -108800.3069 300.5137 -144.3718 -115.2548 761265.6543 14.8305 14.8747 PRESSURE: 3539400 -105.236 182.795 -126.783 182.795 53.2454 -7.10186 -126.783 -7.10289 18.2532 GPRESSURE: 3539400 -42.6518 223.71 -216.095 194.593 56.9941 72.5713 -87.5498 14.7203 58.3707 PRESSAVG: 3539400 -0.638921 -5.38871 2.99819 -5.3887 -10.6693 10.1002 2.99822 10.1003 -8.40582 GPRESSAVG: 3539400 -0.220841 -4.65653 3.50176 -3.98676 -10.487 13.4088 2.83886 9.21944 -8.84458 TIMING: 3539400 CPU: 11272.9, 0.00400911/step Wall: 11272.9, 0.00400911/step, 1.62659 hours remaining, 233.570312 MB of memory in use. ENERGY: 3539400 3987.0249 20516.6579 14547.9855 254.7338 -203409.4376 2406.2042 0.0000 0.0000 52314.7575 -109382.0740 300.6536 -161696.8314 -109008.3917 300.1432 -11.2456 24.2377 762640.7377 -6.5714 -6.5175 PRESSURE: 3539600 -25.1313 219.332 -168.626 219.332 -31.1177 -188.366 -168.626 -188.367 1.38518 GPRESSURE: 3539600 56.3939 200.935 -247.593 330.134 -28.7164 -200.408 -176.455 -152.144 -6.18571 PRESSAVG: 3539600 15.3434 24.8627 -1.47829 24.8627 -19.9559 35.0368 -1.47831 35.0368 15.6297 GPRESSAVG: 3539600 15.8175 24.8397 -2.06261 25.9208 -18.5495 33.936 -0.934777 34.7736 14.1512 TIMING: 3539600 CPU: 11273.7, 0.00400675/step Wall: 11273.7, 0.00400675/step, 1.6254 hours remaining, 233.570312 MB of memory in use. ENERGY: 3539600 3933.0185 20513.1612 14481.6657 255.3911 -203175.3906 2374.8993 0.0000 0.0000 52059.8204 -109557.4343 299.1885 -161617.2547 -109183.7288 299.6841 -18.2880 7.1639 761072.5867 3.6724 3.8064 PRESSURE: 3539800 -135.345 40.3254 116.673 40.3255 -239.151 191.578 116.672 191.578 137.891 GPRESSURE: 3539800 -115.855 31.9105 90.6219 -99.1812 -122.974 201.847 96.2087 81.7379 83.7397 PRESSAVG: 3539800 28.6603 26.5559 -39.4293 26.556 -49.5262 37.092 -39.4293 37.092 1.61151 GPRESSAVG: 3539800 28.2935 25.7541 -39.5479 25.0824 -49.9437 38.0351 -41.2783 37.475 1.8029 TIMING: 3539800 CPU: 11274.5, 0.00397884/step Wall: 11274.5, 0.00397884/step, 1.61386 hours remaining, 233.570312 MB of memory in use. ENERGY: 3539800 3967.9247 20611.4319 14487.8051 234.1165 -203252.6602 2361.6410 0.0000 0.0000 51958.2426 -109631.4986 298.6047 -161589.7411 -109259.0374 299.5891 -78.8684 -51.6964 762857.4544 -6.4182 -6.6158 PRESSURE: 3540000 66.42 -187.587 165.455 -187.586 -66.6225 87.0704 165.456 87.0691 -161.999 GPRESSURE: 3540000 26.4345 -207.681 160.597 -230.228 9.11795 21.8508 317.393 5.0822 -110.756 PRESSAVG: 3540000 -6.35548 -5.20262 -8.37903 -5.20262 9.13091 30.0852 -8.37905 30.0852 -12.716 GPRESSAVG: 3540000 -8.14209 -3.49328 -7.25541 -7.0037 9.99842 28.6077 -6.38113 30.3804 -12.141 TIMING: 3540000 CPU: 11275.3, 0.00396751/step Wall: 11275.3, 0.00396751/step, 1.60904 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3540000 4039.2742 20474.7882 14526.8271 250.5210 -203580.4228 2459.0114 0.0000 0.0000 52225.3995 -109604.6014 300.1401 -161830.0008 -109234.7617 299.2068 -54.0673 -25.0680 760514.2669 -3.3135 -3.4282 PRESSURE: 3540200 -292.323 150.996 -237.331 150.997 38.1063 73.8569 -237.331 73.8571 242.439 GPRESSURE: 3540200 -231.995 155.67 -190.827 243.754 76.6135 65.6922 -195.65 65.7872 226.284 PRESSAVG: 3540200 -18.3038 14.9534 24.5453 14.9534 -10.0495 1.3852 24.5453 1.38528 13.3781 GPRESSAVG: 3540200 -15.4253 15.7448 24.8375 15.4838 -11.1524 3.37407 23.1614 1.42493 12.2922 TIMING: 3540200 CPU: 11276.1, 0.00398262/step Wall: 11276.1, 0.00398262/step, 1.61495 hours remaining, 233.570312 MB of memory in use. ENERGY: 3540200 3983.0153 20638.5310 14485.9656 242.6885 -203288.6876 2453.0459 0.0000 0.0000 52064.0595 -109421.3819 299.2129 -161485.4414 -109063.2804 299.4190 -3.9259 23.6343 761787.6536 -4.9917 -4.7618 LDB: ============= START OF LOAD BALANCING ============== 11288.6 LDB: ============== END OF LOAD BALANCING =============== 11288.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11288.6 LDB: ============= START OF LOAD BALANCING ============== 11289 LDB: Largest compute 7068 load 0.033819 is 17.5% of average load 0.193371 LDB: Average compute 0.004431 is 2.3% of average load 0.193371 LDB: TIME 11289 LOAD: AVG 0.193371 MAX 0.213598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.637 MB LDB: TIME 11289 LOAD: AVG 0.193371 MAX 0.213598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: TIME 11289 LOAD: AVG 0.193371 MAX 0.213598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: ============== END OF LOAD BALANCING =============== 11289 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11289 PRESSURE: 3540400 289.683 83.4447 234.245 83.4441 -65.1359 28.9838 234.244 28.9829 -82.3732 GPRESSURE: 3540400 259.918 32.3148 149.49 -14.4821 50.8271 74.775 51.5818 109.947 -77.5237 PRESSAVG: 3540400 22.0448 54.5205 4.40254 54.5204 1.52623 -51.61 4.40262 -51.6101 -17.7036 GPRESSAVG: 3540400 19.1487 53.4173 2.87914 55.3827 1.8072 -51.6606 5.56704 -52.2022 -15.3324 TIMING: 3540400 CPU: 11276.9, 0.00406153/step Wall: 11276.9, 0.00406153/step, 1.64672 hours remaining, 234.140625 MB of memory in use. ENERGY: 3540400 4085.0311 20512.6321 14557.3535 237.0642 -203264.7026 2456.6807 0.0000 0.0000 51962.4614 -109453.4796 298.6290 -161415.9410 -109076.0229 299.8234 47.3913 77.7403 761742.4329 1.9558 1.8745 PRESSURE: 3540600 -124.294 -169.976 -36.2178 -169.976 -84.076 126.34 -36.2176 126.339 313.855 GPRESSURE: 3540600 5.9004 -96.9111 -90.8778 -107.815 -43.8478 190.691 -84.5323 128.595 251.084 PRESSAVG: 3540600 -33.5507 27.9068 -10.148 27.9068 2.88538 -17.2119 -10.148 -17.2118 12.4565 GPRESSAVG: 3540600 -32.3528 27.5642 -8.8134 27.9005 2.93549 -18.8205 -11.3761 -16.0384 11.3106 TIMING: 3540600 CPU: 11277.7, 0.00397797/step Wall: 11277.7, 0.00397797/step, 1.61263 hours remaining, 234.281250 MB of memory in use. ENERGY: 3540600 4020.0897 20501.9312 14430.5075 232.3230 -203243.4640 2446.8830 0.0000 0.0000 52165.2205 -109446.5091 299.7942 -161611.7296 -109088.0427 299.5840 35.1619 71.0456 762393.4163 -6.0696 -6.0356 PRESSURE: 3540800 -170.474 -12.5545 98.3423 -12.553 -324.712 230.396 98.3426 230.396 385.786 GPRESSURE: 3540800 -168.186 -121.354 56.3793 -22.254 -221.423 179.013 210.727 125.941 347.885 PRESSAVG: 3540800 -60.8158 0.484912 -15.8858 0.484933 40.2403 31.4784 -15.8858 31.4783 13.1139 GPRESSAVG: 3540800 -63.2392 0.246467 -17.4972 0.614358 42.5757 30.026 -16.9007 30.7167 13.275 TIMING: 3540800 CPU: 11278.5, 0.00397709/step Wall: 11278.5, 0.00397709/step, 1.61205 hours remaining, 234.281250 MB of memory in use. ENERGY: 3540800 3990.5500 20457.3816 14422.4913 262.3922 -203355.0873 2431.9539 0.0000 0.0000 52352.3928 -109437.9254 300.8699 -161790.3182 -109066.8291 299.7265 -36.4670 -13.9081 761300.0545 -2.4872 -2.4628 PRESSURE: 3541000 19.7277 194.349 220.41 194.349 -95.4422 186.703 220.41 186.703 19.7145 GPRESSURE: 3541000 11.9269 252.575 182.973 152.437 -17.7114 53.4524 197.698 211.422 32.8265 PRESSAVG: 3541000 14.742 20.8631 39.6593 20.8631 -21.623 37.5109 39.6593 37.5109 3.78178 GPRESSAVG: 3541000 17.3166 21.4052 40.6742 20.3104 -25.0861 37.7143 37.7175 37.6122 4.35744 TIMING: 3541000 CPU: 11279.3, 0.00397637/step Wall: 11279.3, 0.00397637/step, 1.61153 hours remaining, 234.480469 MB of memory in use. ENERGY: 3541000 3917.2680 20546.8297 14425.5285 240.2580 -203133.9169 2428.3318 0.0000 0.0000 52040.7017 -109534.9993 299.0786 -161575.7010 -109169.7898 299.5265 -18.6667 9.0140 762704.9401 -1.0331 -1.1373 PRESSURE: 3541200 -543.852 45.6607 -45.7922 45.661 -69.6861 68.8213 -45.792 68.8214 -93.582 GPRESSURE: 3541200 -369.619 -17.5183 -31.5393 -4.60149 -96.924 95.1222 -26.1393 102.097 -144.797 PRESSAVG: 3541200 27.7055 17.5057 -26.1071 17.5057 -28.343 -5.05269 -26.1071 -5.05273 26.1491 GPRESSAVG: 3541200 27.2069 16.9471 -26.2479 20.026 -27.9463 -6.06853 -21.7104 -1.91076 26.5858 TIMING: 3541200 CPU: 11280.1, 0.00395842/step Wall: 11280.1, 0.00395842/step, 1.60404 hours remaining, 234.480469 MB of memory in use. ENERGY: 3541200 4106.3791 20680.5517 14481.1902 245.2375 -203527.4039 2415.0811 0.0000 0.0000 52210.7300 -109388.2344 300.0558 -161598.9644 -109032.2492 299.7926 -235.7068 -203.7799 760131.4158 8.5039 8.6155 PRESSURE: 3541400 73.6082 15.1415 292.583 15.1404 -381.5 -61.7759 292.583 -61.7769 54.3046 GPRESSURE: 3541400 101.134 1.56902 259.195 72.7381 -318.141 -111.884 182.45 -11.7213 65.1297 PRESSAVG: 3541400 31.3487 14.3752 35.7261 14.3751 -9.86439 30.3185 35.7261 30.3186 22.7337 GPRESSAVG: 3541400 30.9586 14.9015 34.6407 13.4155 -9.80524 31.7226 34.9832 25.7034 23.0766 TIMING: 3541400 CPU: 11280.8, 0.00397175/step Wall: 11280.8, 0.00397175/step, 1.60922 hours remaining, 234.480469 MB of memory in use. ENERGY: 3541400 3916.8637 20758.2492 14496.6376 226.6777 -203370.5773 2407.1156 0.0000 0.0000 51917.2070 -109647.8265 298.3689 -161565.0335 -109279.9770 299.7465 -84.5290 -50.6255 761246.8868 14.7393 14.7433 PRESSURE: 3541600 -174.688 60.8129 163.098 60.8127 -272.346 -64.081 163.098 -64.0821 -211.357 GPRESSURE: 3541600 -252.701 52.8767 174.175 98.0353 -213.151 -10.7448 183.143 1.0843 -118.466 PRESSAVG: 3541600 66.3618 21.5091 -19.8638 21.5091 -76.9807 12.7909 -19.8638 12.7909 -2.01331 GPRESSAVG: 3541600 66.6969 20.172 -17.76 22.7841 -77.8234 14.911 -19.4587 13.3237 -1.94466 TIMING: 3541600 CPU: 11281.6, 0.00399081/step Wall: 11281.6, 0.00399081/step, 1.61672 hours remaining, 234.480469 MB of memory in use. ENERGY: 3541600 3935.4041 20568.4585 14522.2860 259.9183 -203404.3660 2438.0591 0.0000 0.0000 52073.2594 -109606.9806 299.2657 -161680.2400 -109243.3902 299.2394 -219.4635 -194.7724 760880.9209 -4.2107 -4.3570 PRESSURE: 3541800 -61.167 205.64 9.72306 205.641 -174.628 -141.499 9.72298 -141.499 0.824881 GPRESSURE: 3541800 7.29486 162.617 -22.6964 194.987 -71.8086 -112.99 29.857 -129.203 -84.973 PRESSAVG: 3541800 11.454 9.90115 16.2755 9.90106 -66.4011 -9.53946 16.2756 -9.53952 23.3124 GPRESSAVG: 3541800 11.9198 10.6343 16.8883 8.8863 -65.0829 -11.2036 13.96 -5.47676 21.5552 TIMING: 3541800 CPU: 11282.4, 0.0039655/step Wall: 11282.4, 0.0039655/step, 1.60625 hours remaining, 234.480469 MB of memory in use. ENERGY: 3541800 4010.1820 20518.7956 14454.5946 230.3760 -203327.7493 2508.4722 0.0000 0.0000 52210.4650 -109394.8640 300.0543 -161605.3290 -109033.1145 299.3066 -78.3234 -49.8289 761287.3478 -10.5449 -10.5360 PRESSURE: 3542000 -75.5099 -228.516 -355.403 -228.516 -69.4582 -2.3209 -355.404 -2.3213 68.248 GPRESSURE: 3542000 -9.182 -263.207 -293.018 -202.657 -0.619279 -19.7745 -205.849 94.3081 11.6982 PRESSAVG: 3542000 11.8578 2.5928 -40.9856 2.59273 1.14148 21.9899 -40.9855 21.9899 -17.6594 GPRESSAVG: 3542000 11.035 5.40937 -40.8482 2.08871 0.883174 20.8644 -39.9576 20.2892 -16.8493 TIMING: 3542000 CPU: 11283.2, 0.00395876/step Wall: 11283.2, 0.00395876/step, 1.6033 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3542000 3977.0511 20605.4730 14460.0323 266.4279 -203567.2975 2421.5097 0.0000 0.0000 52205.4610 -109631.3424 300.0255 -161836.8034 -109271.7337 299.3672 -25.5734 0.6323 760470.9927 -1.5533 -1.6437 PRESSURE: 3542200 88.4041 43.7486 274.029 43.7478 -270.228 -125.595 274.029 -125.595 216.15 GPRESSURE: 3542200 95.3249 43.1483 216.555 61.8341 -274.395 -150.926 254.915 -275.762 295.848 PRESSAVG: 3542200 -36.7413 -4.72258 -3.3434 -4.7226 0.761356 -30.4555 -3.3434 -30.4555 13.9962 GPRESSAVG: 3542200 -37.3558 -6.34646 -4.05726 -5.44392 0.550053 -29.218 -0.954894 -29.6415 14.5591 TIMING: 3542200 CPU: 11284, 0.00396812/step Wall: 11284, 0.00396812/step, 1.60687 hours remaining, 234.480469 MB of memory in use. ENERGY: 3542200 3929.5416 20542.4262 14601.0442 247.4575 -203494.8814 2531.7672 0.0000 0.0000 52094.6867 -109547.9581 299.3889 -161642.6447 -109190.7648 299.3989 11.4422 38.9261 760098.6112 -7.3279 -7.4155 PRESSURE: 3542400 -18.1001 57.2389 141.071 57.2383 71.5299 205.571 141.071 205.57 -49.5222 GPRESSURE: 3542400 43.085 15.6656 171.577 20.7859 42.1598 163.916 26.6581 213.897 -1.37909 PRESSAVG: 3542400 34.7071 19.0894 40.9747 19.0894 -58.542 -31.8674 40.9746 -31.8675 -7.02428 GPRESSAVG: 3542400 35.7259 17.584 40.8624 20.0929 -59.703 -29.7696 38.0465 -33.6345 -6.64853 TIMING: 3542400 CPU: 11284.8, 0.00398726/step Wall: 11284.8, 0.00398726/step, 1.6144 hours remaining, 234.480469 MB of memory in use. ENERGY: 3542400 3980.3573 20531.0871 14453.5282 227.7804 -203198.4540 2372.7211 0.0000 0.0000 51968.4595 -109664.5205 298.6635 -161632.9799 -109310.4108 299.3212 1.3025 27.9552 761901.8447 -10.2864 -10.2085 PRESSURE: 3542600 -41.8315 176.933 -42.349 176.934 -343.853 13.8637 -42.3494 13.8643 -103.594 GPRESSURE: 3542600 6.73566 31.5958 -72.8817 102.466 -316.259 -28.5039 -34.0825 -72.1386 -103.04 PRESSAVG: 3542600 28.1908 -20.8058 51.7721 -20.8058 -21.7059 -48.3346 51.772 -48.3345 -2.6056 GPRESSAVG: 3542600 27.8097 -21.6784 50.6519 -18.8356 -20.1052 -50.7727 53.1104 -46.3174 -3.8802 TIMING: 3542600 CPU: 11285.6, 0.00400125/step Wall: 11285.6, 0.00400125/step, 1.61984 hours remaining, 234.480469 MB of memory in use. ENERGY: 3542600 3931.5886 20662.4323 14469.0672 258.7444 -203213.5670 2413.8132 0.0000 0.0000 52165.2327 -109312.6885 299.7943 -161477.9213 -108953.1463 299.3193 -163.0927 -137.5211 760794.2110 1.2931 1.2748 PRESSURE: 3542800 -5.27787 -71.9516 -42.6403 -71.9514 -99.01 26.4788 -42.6401 26.4785 -5.19023 GPRESSURE: 3542800 51.1348 -200.099 -57.2049 -136.244 -33.3996 -28.8238 -55.8935 8.5711 -24.9175 PRESSAVG: 3542800 65.8412 3.43293 30.3101 3.43295 -23.1471 -9.91875 30.3102 -9.91884 -0.355449 GPRESSAVG: 3542800 66.0108 3.83622 31.3391 1.1929 -22.6039 -9.32985 28.6281 -12.5536 -0.374873 TIMING: 3542800 CPU: 11286.4, 0.00399252/step Wall: 11286.4, 0.00399252/step, 1.61608 hours remaining, 234.480469 MB of memory in use. ENERGY: 3542800 4044.6152 20433.8937 14450.2445 226.0335 -203516.4101 2710.9776 0.0000 0.0000 52297.8769 -109352.7687 300.5566 -161650.6456 -108979.3298 300.1324 -36.4927 -2.3941 759957.6497 14.1129 14.3440 PRESSURE: 3543000 -31.4838 -118.066 -8.31796 -118.066 15.6842 -19.4441 -8.31709 -19.4448 -95.0006 GPRESSURE: 3543000 15.6371 62.8428 -156.55 -179.565 15.7474 -34.9452 3.77015 83.1678 -79.883 PRESSAVG: 3543000 46.31 -54.0207 -43.8925 -54.0207 -43.1606 -9.42931 -43.8924 -9.42935 0.803203 GPRESSAVG: 3543000 45.872 -51.8978 -43.2593 -53.9062 -44.1106 -9.49264 -41.7723 -7.25635 1.87061 TIMING: 3543000 CPU: 11287.2, 0.00402489/step Wall: 11287.2, 0.00402489/step, 1.62896 hours remaining, 234.480469 MB of memory in use. ENERGY: 3543000 4016.1112 20557.5631 14432.5336 246.9371 -203635.0589 2662.1807 0.0000 0.0000 52308.0153 -109411.7179 300.6149 -161719.7333 -109043.5086 299.5902 -36.9334 -16.1662 761197.0208 1.3175 1.2106 PRESSURE: 3543200 -8.98415 -49.521 69.3193 -49.5195 32.3687 66.3509 69.3198 66.3508 185.684 GPRESSURE: 3543200 29.4201 -74.8119 78.1395 38.8018 68.7052 101.366 40.912 59.2502 182.904 PRESSAVG: 3543200 7.42915 -50.5003 -24.5327 -50.5002 -44.9089 -25.5823 -24.5328 -25.5823 -4.53624 GPRESSAVG: 3543200 9.27575 -52.4945 -25.3971 -50.9685 -45.7597 -24.7394 -25.378 -26.7468 -5.18122 TIMING: 3543200 CPU: 11288, 0.00402291/step Wall: 11288, 0.00402291/step, 1.62794 hours remaining, 234.480469 MB of memory in use. ENERGY: 3543200 3962.8835 20665.8128 14367.5307 247.4341 -203032.9972 2195.0412 0.0000 0.0000 51995.2755 -109599.0194 298.8176 -161594.2949 -109236.3193 299.5843 69.6896 93.6766 762575.1324 -14.0053 -13.8884 PRESSURE: 3543400 -190.761 166.815 158.988 166.815 -16.7317 10.767 158.987 10.766 46.1095 GPRESSURE: 3543400 -142.75 208.933 155.394 109.807 46.4907 -48.8201 63.0697 15.0609 26.6381 PRESSAVG: 3543400 39.2189 -27.9302 11.0112 -27.9302 -48.892 -31.6428 11.0112 -31.6428 -4.76438 GPRESSAVG: 3543400 38.1286 -27.1054 12.0355 -28.2748 -47.5381 -32.7754 10.6804 -29.893 -4.80883 TIMING: 3543400 CPU: 11288.8, 0.00398947/step Wall: 11288.8, 0.00398947/step, 1.61418 hours remaining, 234.480469 MB of memory in use. ENERGY: 3543400 4006.8287 20569.4669 14364.6420 240.9984 -203614.5381 2678.1640 0.0000 0.0000 52017.4017 -109737.0363 298.9447 -161754.4380 -109377.0065 299.0026 -53.7943 -23.2071 761794.2048 -4.8125 -4.7395 PRESSURE: 3543600 7.95401 -380.799 87.605 -380.799 -30.3241 -70.5096 87.6051 -70.5105 132.697 GPRESSURE: 3543600 141.719 -290.644 57.1428 -293.945 -4.46639 -93.6868 47.8347 -154.911 68.8566 PRESSAVG: 3543600 -6.8655 -12.0099 -25.1737 -12.0099 10.1409 19.3701 -25.1737 19.3701 7.13911 GPRESSAVG: 3543600 -7.03969 -13.3763 -25.0142 -10.481 10.5113 20.4591 -25.2931 16.3444 7.19161 TIMING: 3543600 CPU: 11289.6, 0.00398719/step Wall: 11289.6, 0.00398719/step, 1.61304 hours remaining, 234.480469 MB of memory in use. ENERGY: 3543600 3988.4808 20477.2815 14445.5503 238.3878 -203172.7177 2222.2810 0.0000 0.0000 51836.7761 -109963.9602 297.9067 -161800.7364 -109591.9398 298.5480 36.7756 68.7031 761211.0183 3.4715 3.5544 PRESSURE: 3543800 110.609 127.326 -92.9367 127.327 -167.192 112.792 -92.9373 112.793 259.115 GPRESSURE: 3543800 149.052 67.1818 -64.1208 121.616 -113.356 39.314 -40.6908 185.21 262.88 PRESSAVG: 3543800 35.5444 -24.5462 -30.9322 -24.5462 22.8651 45.3954 -30.9322 45.3954 7.79348 GPRESSAVG: 3543800 36.465 -22.6828 -32.4591 -24.6854 21.7358 41.8926 -31.4164 49.2523 8.17936 TIMING: 3543800 CPU: 11290.4, 0.00399494/step Wall: 11290.4, 0.00399494/step, 1.61595 hours remaining, 234.480469 MB of memory in use. ENERGY: 3543800 3961.4464 20493.4190 14452.0935 264.7082 -203374.4571 2586.8225 0.0000 0.0000 52029.3115 -109586.6561 299.0132 -161615.9676 -109216.6374 298.5808 67.5106 99.5252 761588.5446 22.0677 22.1267 PRESSURE: 3544000 180.625 -23.2837 -37.337 -23.2845 1.73077 128.087 -37.3372 128.087 151.865 GPRESSURE: 3544000 210.057 90.0555 -87.4589 -120.762 45.1668 136.785 62.9836 139.383 167.19 PRESSAVG: 3544000 -18.9578 1.12036 -5.89427 1.12039 -31.3553 49.1787 -5.89428 49.1787 4.7163 GPRESSAVG: 3544000 -18.8241 2.50796 -4.90189 -0.0941166 -31.2397 52.9097 -4.90389 45.9963 4.30235 TIMING: 3544000 CPU: 11291.2, 0.00400141/step Wall: 11291.2, 0.00400141/step, 1.61835 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3544000 3943.1871 20488.8323 14505.5306 256.9970 -203841.7529 2912.0526 0.0000 0.0000 52055.2578 -109679.8955 299.1623 -161735.1533 -109322.5440 298.5679 111.4072 140.8044 760229.6430 -15.1989 -15.2538 PRESSURE: 3544200 262.509 -154.495 42.2451 -154.496 149.47 183.265 42.2451 183.264 -39.5259 GPRESSURE: 3544200 337.64 -165.455 35.6391 -165.579 131.128 134.6 43.728 192.583 -9.77305 PRESSAVG: 3544200 19.5257 -8.90369 -39.8037 -8.90374 -32.4999 68.1423 -39.8038 68.1423 -3.57919 GPRESSAVG: 3544200 18.6607 -11.0548 -39.3602 -9.21762 -32.0599 67.6651 -40.8419 67.8746 -3.14838 TIMING: 3544200 CPU: 11292, 0.00400721/step Wall: 11292, 0.00400721/step, 1.62047 hours remaining, 234.480469 MB of memory in use. ENERGY: 3544200 3927.1699 20471.5131 14481.4331 241.4849 -203316.9917 2557.0663 0.0000 0.0000 52110.9638 -109527.3605 299.4824 -161638.3243 -109156.7663 299.3280 124.1510 152.9983 762065.6885 -5.5178 -5.5159 LDB: ============= START OF LOAD BALANCING ============== 11304.5 LDB: ============== END OF LOAD BALANCING =============== 11304.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11304.5 LDB: ============= START OF LOAD BALANCING ============== 11304.9 LDB: Largest compute 7058 load 0.031323 is 16.2% of average load 0.193212 LDB: Average compute 0.004446 is 2.3% of average load 0.193212 LDB: TIME 11304.9 LOAD: AVG 0.193212 MAX 0.214471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.906 MB LDB: TIME 11304.9 LOAD: AVG 0.193212 MAX 0.214471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 11304.9 LOAD: AVG 0.193212 MAX 0.214471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 11304.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11304.9 PRESSURE: 3544400 120.911 40.7879 -4.86302 40.7866 117.305 -357.778 -4.86361 -357.779 185.095 GPRESSURE: 3544400 130.466 -15.8281 8.5038 -25.6642 131.937 -324.377 50.2602 -261.976 270.925 PRESSAVG: 3544400 11.7878 27.3925 -24.8081 27.3925 -11.8574 3.07282 -24.8081 3.07287 9.75227 GPRESSAVG: 3544400 11.8105 26.6162 -24.9661 28.8431 -12.275 3.1643 -22.9065 3.45849 10.231 TIMING: 3544400 CPU: 11292.8, 0.00408957/step Wall: 11292.8, 0.00408957/step, 1.65355 hours remaining, 233.371094 MB of memory in use. ENERGY: 3544400 3975.7491 20523.8109 14395.6309 236.0036 -203418.1888 2683.8505 0.0000 0.0000 52135.6726 -109467.4711 299.6244 -161603.1437 -109109.2612 299.6486 141.1039 177.7758 760181.7905 3.2275 3.2555 PRESSURE: 3544600 -161.973 -88.6736 -86.8701 -88.6727 -89.4366 -208.331 -86.8704 -208.332 -4.09027 GPRESSURE: 3544600 -161.327 -205.804 -19.782 -106.133 13.1113 -211.176 -108.979 -159.43 -24.6009 PRESSAVG: 3544600 -17.6546 -69.7701 1.93927 -69.7701 30.1183 -12.1805 1.93921 -12.1805 -5.35624 GPRESSAVG: 3544600 -17.2187 -66.7442 1.93025 -71.3172 30.4216 -12.179 0.281626 -11.5779 -5.91999 TIMING: 3544600 CPU: 11293.6, 0.0040019/step Wall: 11293.6, 0.0040019/step, 1.61788 hours remaining, 233.574219 MB of memory in use. ENERGY: 3544600 3935.2593 20549.2009 14510.1440 251.5449 -203227.0371 2402.2896 0.0000 0.0000 52357.7735 -109220.8250 300.9008 -161578.5985 -108855.4760 299.4894 -85.1667 -57.6057 761521.2663 2.3692 2.4276 PRESSURE: 3544800 -276.696 103.072 93.4236 103.072 -317.024 48.0179 93.4239 48.0172 -178.21 GPRESSURE: 3544800 -234.76 -20.0803 13.5861 113.222 -270.25 127.418 77.8968 117.382 -166.907 PRESSAVG: 3544800 -6.36474 -44.8183 -11.8919 -44.8183 18.7226 -24.5346 -11.892 -24.5346 5.67594 GPRESSAVG: 3544800 -6.29344 -48.0776 -11.774 -42.9198 17.41 -23.8726 -12.3525 -23.9903 6.47351 TIMING: 3544800 CPU: 11294.4, 0.00402302/step Wall: 11294.4, 0.00402301/step, 1.62619 hours remaining, 233.574219 MB of memory in use. ENERGY: 3544800 3967.7716 20559.4641 14548.5298 240.1100 -202634.4074 2213.8801 0.0000 0.0000 51821.1038 -109283.5479 297.8166 -161104.6518 -108929.5020 300.0900 -257.3100 -223.9721 760207.0674 6.0113 5.8633 PRESSURE: 3545000 -49.6747 -69.55 -76.1516 -69.5498 273.503 264.468 -76.1522 264.467 0.361059 GPRESSURE: 3545000 13.1085 -96.6704 -40.3902 11.4061 299.394 252.662 -244.552 249.719 -4.01182 PRESSAVG: 3545000 10.2997 54.2675 2.90812 54.2675 -47.2398 7.62575 2.90813 7.62572 0.833966 GPRESSAVG: 3545000 9.16115 56.5188 4.27287 53.6777 -46.3732 6.28019 4.40201 5.04683 0.964359 TIMING: 3545000 CPU: 11295.2, 0.00399798/step Wall: 11295.2, 0.00399798/step, 1.61585 hours remaining, 233.574219 MB of memory in use. ENERGY: 3545000 3943.8372 20639.7359 14489.1457 235.3146 -203397.2453 2482.4564 0.0000 0.0000 52188.7955 -109417.9600 299.9297 -161606.7555 -109059.5619 299.6014 74.7299 102.8304 760160.6640 -12.0354 -12.0825 PRESSURE: 3545200 -64.0487 20.9447 86.4449 20.9449 66.0466 47.1096 86.4452 47.1088 49.9953 GPRESSURE: 3545200 -24.5868 70.6211 56.0265 37.0069 101.453 131.847 121.225 175.1 48.6194 PRESSAVG: 3545200 -3.54871 -9.69573 -71.8909 -9.69575 -11.2446 -11.3344 -71.8909 -11.3345 -34.9451 GPRESSAVG: 3545200 -2.77153 -11.1597 -73.8604 -9.41339 -12.0064 -11.0888 -71.5468 -8.12473 -34.6991 TIMING: 3545200 CPU: 11296, 0.00396854/step Wall: 11296, 0.00396854/step, 1.60373 hours remaining, 233.574219 MB of memory in use. ENERGY: 3545200 4004.0615 20588.8015 14512.1369 231.3929 -203411.8913 2556.6606 0.0000 0.0000 52053.3914 -109465.4465 299.1516 -161518.8379 -109096.3516 299.3827 17.3311 41.8284 760166.9253 -16.5795 -16.4924 PRESSURE: 3545400 53.6582 -79.1394 -149.853 -79.1393 -34.5714 80.5194 -149.854 80.5194 -81.4332 GPRESSURE: 3545400 -23.1263 -195.602 -216.26 -28.172 11.8753 116.036 10.7042 155.616 14.5622 PRESSAVG: 3545400 -14.5678 -10.4442 -19.9056 -10.4442 -15.9349 20.3474 -19.9055 20.3475 1.12 GPRESSAVG: 3545400 -14.9064 -8.40411 -20.7499 -12.2607 -15.6765 20.3471 -18.2389 19.6687 0.972342 TIMING: 3545400 CPU: 11296.8, 0.00400372/step Wall: 11296.8, 0.00400372/step, 1.61772 hours remaining, 233.574219 MB of memory in use. ENERGY: 3545400 4004.3279 20486.0111 14499.4089 249.0866 -203017.0611 2211.3642 0.0000 0.0000 52221.2799 -109345.5825 300.1164 -161566.8625 -108988.8309 299.7421 -20.7821 1.1038 761438.6763 -9.7943 -9.8702 PRESSURE: 3545600 448.744 204.258 -105.707 204.258 460.205 61.694 -105.706 61.6936 398.591 GPRESSURE: 3545600 462.35 118.538 -149.584 263.257 455.493 49.1652 0.111609 130.85 489.493 PRESSAVG: 3545600 0.687886 9.39608 -30.1879 9.39611 30.9484 8.36381 -30.188 8.36379 5.95785 GPRESSAVG: 3545600 1.87806 8.73422 -29.2929 11.9784 30.6227 7.71134 -32.02 7.93098 5.23479 TIMING: 3545600 CPU: 11297.6, 0.00400356/step Wall: 11297.6, 0.00400356/step, 1.61744 hours remaining, 233.574219 MB of memory in use. ENERGY: 3545600 3942.8406 20331.3756 14464.4160 249.7209 -203017.7726 2626.6037 0.0000 0.0000 51935.3171 -109467.4986 298.4730 -161402.8157 -109107.1534 299.0868 435.8465 469.1122 761685.8442 12.5314 12.5785 PRESSURE: 3545800 116.66 168.864 -112.308 168.864 166.02 -57.7878 -112.307 -57.7872 308.608 GPRESSURE: 3545800 135.331 114.507 -112.566 228.942 242.902 -79.9355 -68.9783 -51.6615 287.38 PRESSAVG: 3545800 -46.7836 -57.5645 14.8818 -57.5644 35.5349 0.398549 14.8818 0.398593 -18.4767 GPRESSAVG: 3545800 -46.4812 -57.6211 15.7661 -57.5364 35.8794 3.10624 16.0168 0.120625 -19.3113 TIMING: 3545800 CPU: 11298.4, 0.00401237/step Wall: 11298.4, 0.00401237/step, 1.62077 hours remaining, 233.574219 MB of memory in use. ENERGY: 3545800 4000.0374 20374.0431 14469.2514 243.5466 -203399.4593 2758.0783 0.0000 0.0000 52006.8542 -109547.6482 298.8841 -161554.5024 -109175.7189 298.9047 197.0961 221.8709 762340.9610 -9.9085 -9.9710 PRESSURE: 3546000 13.4229 105.063 43.5063 105.063 343.363 1.73578 43.5074 1.73558 -123.374 GPRESSURE: 3546000 44.6307 92.9389 54.166 72.4742 330.932 9.63265 116.752 10.4085 -63.2012 PRESSAVG: 3546000 -2.04695 -26.2172 17.4072 -26.2171 23.0421 65.9251 17.4071 65.925 -6.14491 GPRESSAVG: 3546000 -3.27915 -24.3868 16.816 -29.6476 23.6132 64.7314 15.8226 66.1914 -5.31248 TIMING: 3546000 CPU: 11299.2, 0.00400473/step Wall: 11299.2, 0.00400473/step, 1.61746 hours remaining, 233.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3546000 3972.4305 20502.1346 14479.6271 235.2514 -203409.7603 2705.9301 0.0000 0.0000 51844.5750 -109669.8118 297.9515 -161514.3867 -109309.2070 298.8478 77.8038 104.1205 763046.4002 4.9501 5.0072 PRESSURE: 3546200 -115.864 -249.224 38.3818 -249.224 95.48 -191.897 38.3825 -191.897 106.376 GPRESSURE: 3546200 -23.3807 -175.123 7.68946 -218.305 105.895 -139.311 46.9611 -121.077 91.6072 PRESSAVG: 3546200 15.4391 -7.91919 11.1942 -7.91925 -15.3872 -33.914 11.1942 -33.9139 -5.45004 GPRESSAVG: 3546200 16.8817 -9.04409 13.0623 -6.39903 -17.3401 -34.2487 12.139 -32.6886 -5.13316 TIMING: 3546200 CPU: 11300, 0.00398027/step Wall: 11300, 0.00398027/step, 1.60736 hours remaining, 233.574219 MB of memory in use. ENERGY: 3546200 3984.5737 20470.5250 14595.6055 248.4495 -203205.4699 2379.8308 0.0000 0.0000 51951.2884 -109575.1971 298.5648 -161526.4854 -109215.2084 299.0698 28.6641 58.0406 759914.3545 -1.7994 -1.8639 PRESSURE: 3546400 -87.2864 274.83 319.688 274.829 -185.452 64.2009 319.688 64.1981 -326.244 GPRESSURE: 3546400 -154.435 232.764 339.177 148.346 -6.36119 158.538 258.561 54.7979 -361.491 PRESSAVG: 3546400 3.81468 -25.5409 35.1624 -25.541 -40.7306 -9.11467 35.1624 -9.11468 -2.41397 GPRESSAVG: 3546400 2.49944 -25.8285 34.0082 -25.65 -39.2575 -8.84049 35.4555 -10.7496 -1.87408 TIMING: 3546400 CPU: 11300.8, 0.00398894/step Wall: 11300.8, 0.00398894/step, 1.61064 hours remaining, 233.574219 MB of memory in use. ENERGY: 3546400 3909.1905 20657.6008 14470.5982 248.6146 -202852.1596 2082.4167 0.0000 0.0000 51842.1447 -109641.5941 297.9375 -161483.7388 -109286.0032 298.8669 -199.6607 -174.0959 762864.6705 -13.1100 -12.8774 PRESSURE: 3546600 173.557 99.8125 175.871 99.8121 -151.124 -137.607 175.872 -137.607 241.873 GPRESSURE: 3546600 231.281 82.2114 44.3332 154.743 -119.089 -131.674 192.011 -38.0376 224.755 PRESSAVG: 3546600 -11.6119 -70.3602 42.3386 -70.3601 15.6834 -37.715 42.3386 -37.7151 -5.33477 GPRESSAVG: 3546600 -11.4534 -70.6131 42.1071 -70.0797 16.6193 -38.2793 42.0577 -37.4657 -6.61448 TIMING: 3546600 CPU: 11301.6, 0.00400788/step Wall: 11301.6, 0.00400788/step, 1.61807 hours remaining, 233.574219 MB of memory in use. ENERGY: 3546600 3998.0117 20709.4412 14479.9320 245.8585 -203366.6005 2395.1069 0.0000 0.0000 52048.7642 -109489.4860 299.1250 -161538.2502 -109137.7274 299.6023 88.1022 112.3157 759382.9032 -0.4211 -0.4829 PRESSURE: 3546800 -196.771 47.1239 -69.4097 47.1243 188.558 -45.5715 -69.41 -45.572 430.756 GPRESSURE: 3546800 -84.5492 29.117 -47.3171 3.96514 122.31 -55.4236 -49.7276 -85.7749 445.917 PRESSAVG: 3546800 -7.51342 9.59444 1.80798 9.59437 -27.905 -33.8242 1.80797 -33.8241 -14.1945 GPRESSAVG: 3546800 -8.06691 7.74004 1.09918 10.442 -28.4029 -33.2899 1.65349 -34.6075 -12.847 TIMING: 3546800 CPU: 11302.4, 0.00402154/step Wall: 11302.4, 0.00402154/step, 1.62336 hours remaining, 233.574219 MB of memory in use. ENERGY: 3546800 4018.2161 20667.4526 14555.5616 231.1584 -203988.3359 2851.6016 0.0000 0.0000 52315.2821 -109349.0634 300.6566 -161664.3455 -108994.8918 299.6046 140.8480 161.2260 758743.7812 -16.5376 -16.4389 PRESSURE: 3547000 17.5238 -68.2695 -99.0035 -68.2694 -269.315 -102.288 -99.0043 -102.288 -650.96 GPRESSURE: 3547000 63.1249 -60.5294 -32.7319 -170.129 -202.569 -88.6997 -170.323 -132.58 -669.528 PRESSAVG: 3547000 5.05036 -11.4194 -13.016 -11.4194 32.1932 -29.8555 -13.0158 -29.8555 -27.3432 GPRESSAVG: 3547000 6.38395 -9.50102 -13.4172 -13.0383 31.6967 -30.351 -13.0299 -29.9975 -28.0659 TIMING: 3547000 CPU: 11303.2, 0.00400977/step Wall: 11303.2, 0.00400977/step, 1.61839 hours remaining, 233.574219 MB of memory in use. ENERGY: 3547000 4021.5492 20527.1845 14606.5876 234.0534 -203634.3319 2487.1372 0.0000 0.0000 52347.3949 -109410.4252 300.8412 -161757.8201 -109040.0012 300.0291 -300.9169 -269.6574 761030.8838 3.3001 3.3383 PRESSURE: 3547200 263.052 17.8752 -30.0437 17.8745 238.06 93.5531 -30.0436 93.5526 131.384 GPRESSURE: 3547200 268.999 92.9596 -117.016 -89.5495 220.386 61.099 -74.0206 62.8906 237.253 PRESSAVG: 3547200 -23.812 -34.1625 22.3943 -34.1624 -17.6735 11.0109 22.3942 11.0109 -16.5624 GPRESSAVG: 3547200 -24.8663 -34.217 23.0099 -35.14 -17.3657 10.0576 20.9659 11.0006 -15.7947 TIMING: 3547200 CPU: 11304.1, 0.00401877/step Wall: 11304.1, 0.00401877/step, 1.6218 hours remaining, 233.574219 MB of memory in use. ENERGY: 3547200 3941.2596 20715.2626 14536.5486 251.1326 -203889.2254 2772.8819 0.0000 0.0000 51997.9422 -109674.1981 298.8329 -161672.1403 -109308.5261 299.2137 210.8320 242.2125 758797.2274 -19.3493 -19.3422 PRESSURE: 3547400 178.471 -174.026 -96.8102 -174.027 25.2691 -37.6582 -96.8095 -37.6592 7.986 GPRESSURE: 3547400 162.82 -113.974 -37.105 -229.401 130.386 54.4044 -190.727 -86.0817 6.77911 PRESSAVG: 3547400 0.7533 -71.2456 20.1488 -71.2456 -12.673 27.1432 20.1489 27.1431 -10.0549 GPRESSAVG: 3547400 2.03338 -71.4442 21.4989 -68.1048 -13.1807 28.2987 21.8277 29.9211 -10.9602 TIMING: 3547400 CPU: 11304.9, 0.00400643/step Wall: 11304.9, 0.00400643/step, 1.61659 hours remaining, 233.574219 MB of memory in use. ENERGY: 3547400 3865.8754 20618.8444 14467.5666 248.3819 -203962.0135 2586.7672 0.0000 0.0000 52345.8521 -109828.7259 300.8323 -162174.5780 -109458.6219 299.1779 70.5753 99.9951 758901.8053 -7.3249 -7.3692 PRESSURE: 3547600 51.062 -26.5026 89.0175 -26.5033 93.9662 -274.265 89.018 -274.266 94.3837 GPRESSURE: 3547600 83.6773 0.0171392 131.704 -13.5383 134.135 -327.736 74.6616 -221.975 113.613 PRESSAVG: 3547600 21.4559 -9.50568 -13.0872 -9.50572 -35.9633 -1.39344 -13.0873 -1.39345 24.5231 GPRESSAVG: 3547600 20.9849 -8.79076 -14.3365 -12.1058 -34.6717 -0.586697 -14.3571 -2.14237 23.6747 TIMING: 3547600 CPU: 11305.7, 0.00399515/step Wall: 11305.7, 0.00399515/step, 1.61182 hours remaining, 233.574219 MB of memory in use. ENERGY: 3547600 3988.8553 20567.5895 14459.5308 261.9775 -203554.4049 2689.1773 0.0000 0.0000 51836.9747 -109750.2998 297.9078 -161587.2745 -109391.9059 299.1200 79.8040 110.4753 759173.0334 3.3386 3.3293 PRESSURE: 3547800 86.7025 -136.968 -90.799 -136.968 -139.861 -162.218 -90.7995 -162.219 -183.962 GPRESSURE: 3547800 116.391 -175.552 -128.564 -246.407 -64.7896 -194.139 -60.0218 -44.6607 -211.243 PRESSAVG: 3547800 -33.9757 2.73598 -7.07906 2.73599 3.87045 -57.997 -7.07902 -57.997 -34.1257 GPRESSAVG: 3547800 -34.4921 2.24959 -8.2208 3.13154 3.1909 -58.9425 -5.09956 -59.125 -32.5938 TIMING: 3547800 CPU: 11306.5, 0.00400677/step Wall: 11306.5, 0.00400677/step, 1.61629 hours remaining, 233.574219 MB of memory in use. ENERGY: 3547800 4019.0652 20650.6832 14515.7929 237.1980 -203585.1864 2420.5411 0.0000 0.0000 52110.4841 -109631.4219 299.4797 -161741.9060 -109275.2716 298.6280 -79.0401 -53.2140 759606.3719 -21.4103 -21.2983 PRESSURE: 3548000 97.4445 -40.4173 -41.3657 -40.4171 -29.2053 -39.7091 -41.3665 -39.7085 57.3535 GPRESSURE: 3548000 138.201 -4.82478 56.9789 64.6764 -14.7804 -97.1551 -172.968 -174.263 96.031 PRESSAVG: 3548000 41.1089 -24.0786 -37.4128 -24.0786 -47.0513 -20.3328 -37.4128 -20.3328 -18.501 GPRESSAVG: 3548000 41.3117 -23.2783 -34.9134 -24.0437 -47.0698 -20.6533 -39.1766 -19.8949 -18.5283 TIMING: 3548000 CPU: 11307.3, 0.00400294/step Wall: 11307.3, 0.00400294/step, 1.61452 hours remaining, 233.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3548000 3900.2782 20723.2990 14499.9931 250.9798 -203461.7952 2442.1569 0.0000 0.0000 52089.5724 -109555.5158 299.3595 -161645.0882 -109186.5340 298.9176 41.8642 73.1507 759806.0763 -8.1478 -8.0954 PRESSURE: 3548200 -215.423 -179.258 16.7636 -179.258 -167.024 -316.193 16.7639 -316.193 453.665 GPRESSURE: 3548200 -153.173 -178.6 35.9101 -102.95 -92.6768 -295.179 120.932 -245.506 414.056 PRESSAVG: 3548200 -40.271 11.7329 13.2303 11.7328 49.6418 -30.2456 13.2303 -30.2456 -20.179 GPRESSAVG: 3548200 -39.7479 10.8393 12.3582 11.0203 48.8007 -28.6274 13.8053 -29.3377 -20.2911 TIMING: 3548200 CPU: 11308.1, 0.00399467/step Wall: 11308.1, 0.00399467/step, 1.61096 hours remaining, 233.574219 MB of memory in use. ENERGY: 3548200 3978.2555 20459.5960 14513.5587 267.4945 -203152.5463 2515.9225 0.0000 0.0000 51793.5802 -109624.1389 297.6584 -161417.7191 -109268.5181 299.1982 23.7392 56.0690 761938.7786 -3.6028 -3.7461 LDB: ============= START OF LOAD BALANCING ============== 11320.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11320.6 LDB: =============== DONE WITH MIGRATION ================ 11320.6 LDB: ============= START OF LOAD BALANCING ============== 11321 LDB: Largest compute 7068 load 0.033687 is 17.4% of average load 0.193264 LDB: Average compute 0.004425 is 2.3% of average load 0.193264 LDB: TIME 11321 LOAD: AVG 0.193264 MAX 0.211527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.469 MB LDB: TIME 11321 LOAD: AVG 0.193264 MAX 0.211527 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.727 MB LDB: TIME 11321 LOAD: AVG 0.193264 MAX 0.211527 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.727 MB LDB: ============== END OF LOAD BALANCING =============== 11321 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11321 PRESSURE: 3548400 7.95268 -103.429 -94.1441 -103.429 -109.863 -88.7005 -94.1442 -88.7005 79.606 GPRESSURE: 3548400 -7.78848 -3.96925 -167.331 -180.095 -105.885 -51.9338 -163.215 -90.078 159.079 PRESSAVG: 3548400 33.1999 24.5239 0.852164 24.5239 19.9149 -64.4812 0.852099 -64.4813 24.1054 GPRESSAVG: 3548400 33.3219 25.5029 -0.485725 26.8442 20.0677 -64.939 2.7906 -65.1155 24.1088 TIMING: 3548400 CPU: 11308.9, 0.00409161/step Wall: 11308.9, 0.00409161/step, 1.64983 hours remaining, 234.082031 MB of memory in use. ENERGY: 3548400 3938.7295 20586.6280 14517.6135 241.0527 -203443.6366 2180.0746 0.0000 0.0000 52110.1723 -109869.3660 299.4779 -161979.5383 -109512.9685 298.6150 -7.4346 15.1352 760668.0745 25.7401 25.8328 PRESSURE: 3548600 136.623 -52.4188 58.1606 -52.4178 81.7334 17.1991 58.1605 17.1992 232.847 GPRESSURE: 3548600 202.656 -16.7368 -18.1793 -75.2093 71.4152 -35.0703 131.44 48.2442 258.07 PRESSAVG: 3548600 6.87311 35.5764 6.48065 35.5764 -56.9162 0.418461 6.48073 0.418435 -12.7289 GPRESSAVG: 3548600 6.6676 33.8545 5.35785 35.5174 -56.5401 0.284523 5.23383 -1.11565 -12.1352 TIMING: 3548600 CPU: 11309.7, 0.00399916/step Wall: 11309.7, 0.00399916/step, 1.61233 hours remaining, 234.082031 MB of memory in use. ENERGY: 3548600 3990.6317 20424.8309 14573.3739 248.2924 -203566.2041 2551.8610 0.0000 0.0000 52095.3687 -109681.8454 299.3928 -161777.2142 -109320.0794 298.8314 150.4013 177.3805 760669.8877 -20.9240 -20.6693 PRESSURE: 3548800 380.236 33.6338 -200.205 33.634 227.466 -41.498 -200.206 -41.4969 -72.1582 GPRESSURE: 3548800 329.339 11.0527 -161.96 114.932 393.873 -110.383 -235.359 -53.6461 -115.515 PRESSAVG: 3548800 17.7015 -11.3311 -23.6445 -11.3311 45.6209 -8.06023 -23.6446 -8.06017 -6.17234 GPRESSAVG: 3548800 17.2311 -11.6772 -21.3881 -11.4298 46.6112 -7.56203 -25.2427 -4.81453 -6.54838 TIMING: 3548800 CPU: 11310.5, 0.00400272/step Wall: 11310.5, 0.00400272/step, 1.61354 hours remaining, 234.082031 MB of memory in use. ENERGY: 3548800 3988.9703 20521.4750 14544.3322 253.9455 -204070.6392 3003.4296 0.0000 0.0000 51989.8004 -109768.6861 298.7861 -161758.4865 -109403.7125 298.8857 178.5144 202.5656 759049.2841 19.0500 19.0980 PRESSURE: 3549000 -301.41 105.621 35.6261 105.62 -205.311 -67.5781 35.6258 -67.5779 -387.637 GPRESSURE: 3549000 -215.127 84.3037 -7.02699 121.109 -239.55 -55.6993 -33.6985 -78.3137 -362.129 PRESSAVG: 3549000 1.46594 66.4413 -0.18042 66.4413 10.6727 6.66402 -0.180492 6.66414 0.991595 GPRESSAVG: 3549000 1.77668 68.4799 -1.94718 66.0373 10.4591 5.97418 2.60441 2.20747 0.499947 TIMING: 3549000 CPU: 11311.3, 0.0040068/step Wall: 11311.3, 0.0040068/step, 1.61496 hours remaining, 234.082031 MB of memory in use. ENERGY: 3549000 4001.2064 20563.1381 14515.7184 257.2121 -203327.7200 2331.4663 0.0000 0.0000 52230.6811 -109428.2975 300.1704 -161658.9786 -109048.4493 299.3653 -298.1191 -272.2683 761966.2214 4.3767 4.2453 PRESSURE: 3549200 307.003 71.836 -7.24112 71.8361 -99.1248 -144.273 -7.24136 -144.274 300.796 GPRESSURE: 3549200 336.216 67.7957 -110.382 46.0094 3.85371 -91.021 66.8535 -80.9597 265.323 PRESSAVG: 3549200 -40.8564 -38.584 -28.7332 -38.5838 -26.0222 -7.27356 -28.7332 -7.27358 0.701891 GPRESSAVG: 3549200 -42.1284 -41.239 -29.3764 -38.7389 -26.8126 -7.82483 -28.2273 -4.42957 1.8768 TIMING: 3549200 CPU: 11312.1, 0.00398164/step Wall: 11312.1, 0.00398164/step, 1.6046 hours remaining, 234.082031 MB of memory in use. ENERGY: 3549200 3939.5660 20353.8709 14608.4502 282.4028 -203478.9252 2598.3752 0.0000 0.0000 51957.0471 -109739.2130 298.5979 -161696.2601 -109368.7369 298.8815 169.5582 201.7975 760843.7001 -22.0589 -22.3547 PRESSURE: 3549400 -28.4681 -38.2631 -125.215 -38.2628 173.011 -269.935 -125.216 -269.934 222.599 GPRESSURE: 3549400 130.471 -22.5115 -103.158 31.5985 174.342 -302.022 -70.7429 -214.304 160.298 PRESSAVG: 3549400 33.9582 15.9819 -22.9249 15.9819 13.6361 -16.8125 -22.9249 -16.8125 -7.79805 GPRESSAVG: 3549400 34.8576 16.0881 -21.223 16.9786 13.2215 -15.9109 -25.2513 -19.6006 -8.19674 TIMING: 3549400 CPU: 11312.9, 0.00398001/step Wall: 11312.9, 0.00398001/step, 1.60372 hours remaining, 234.082031 MB of memory in use. ENERGY: 3549400 3998.3403 20529.2739 14577.9559 252.9870 -203883.8914 2740.9804 0.0000 0.0000 52084.7427 -109699.6112 299.3317 -161784.3539 -109347.2235 298.6523 122.3809 155.0372 759634.5707 13.2654 13.2941 PRESSURE: 3549600 -48.9519 -66.8741 48.2888 -66.874 127.129 55.9887 48.2891 55.9886 -94.148 GPRESSURE: 3549600 -16.207 -94.8488 83.9603 17.3647 89.902 211.412 31.8845 -11.8437 4.98081 PRESSAVG: 3549600 21.1844 -31.1984 32.0832 -31.1983 -17.216 6.14646 32.0831 6.14646 -12.5376 GPRESSAVG: 3549600 20.2335 -30.2546 31.7632 -32.6016 -16.6426 5.86171 31.5069 7.67913 -12.4905 TIMING: 3549600 CPU: 11313.7, 0.00398142/step Wall: 11313.7, 0.00398142/step, 1.60407 hours remaining, 234.542969 MB of memory in use. ENERGY: 3549600 3948.5080 20686.5204 14435.8085 235.3931 -203464.5503 2321.9887 0.0000 0.0000 51959.1519 -109877.1797 298.6100 -161836.3315 -109514.6809 298.7686 -5.3236 26.2253 759757.0634 -2.8564 -2.9665 PRESSURE: 3549800 -64.2224 49.2377 142.704 49.2382 61.7903 28.9868 142.703 28.9869 17.2228 GPRESSURE: 3549800 37.7372 -73.3726 218.57 -17.1648 68.9787 3.19754 127.076 83.5446 17.3773 PRESSAVG: 3549800 -29.8369 -6.28368 4.34714 -6.28369 26.3202 -13.8073 4.3471 -13.8073 -4.4295 GPRESSAVG: 3549800 -28.1252 -4.48173 4.79886 -5.53145 26.6718 -12.6716 4.18839 -12.7464 -6.39286 TIMING: 3549800 CPU: 11314.5, 0.004014/step Wall: 11314.5, 0.004014/step, 1.61697 hours remaining, 234.683594 MB of memory in use. ENERGY: 3549800 3990.0398 20582.3521 14519.4938 241.4131 -203733.7326 2646.9309 0.0000 0.0000 51873.6056 -109879.8972 298.1183 -161753.5028 -109509.9347 298.7482 4.9302 41.3644 759898.3156 -2.6487 -2.6154 PRESSURE: 3550000 45.6331 -91.9259 50.7551 -91.9257 -87.4682 -66.2904 50.7549 -66.2905 192.331 GPRESSURE: 3550000 -21.1709 -40.7984 90.0329 -99.0846 61.5857 -92.6706 21.6176 82.8495 198.211 PRESSAVG: 3550000 21.2558 -2.69439 8.39812 -2.69442 15.519 -6.66853 8.39811 -6.66851 -0.926372 GPRESSAVG: 3550000 19.8462 -4.73483 9.01508 -2.86189 15.2402 -6.1456 10.647 -7.06029 1.00635 TIMING: 3550000 CPU: 11315.3, 0.00398765/step Wall: 11315.3, 0.00398765/step, 1.60614 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3550000 3978.9401 20459.7356 14432.4149 270.0235 -203818.4033 2718.4262 0.0000 0.0000 51793.3802 -110165.4829 297.6573 -161958.8630 -109802.4928 298.2821 50.1654 79.5420 759650.3290 11.9495 12.0309 PRESSURE: 3550200 -319.087 2.18658 128.525 2.18652 68.6005 13.5116 128.524 13.5103 191.49 GPRESSURE: 3550200 -188.943 3.43512 168.546 14.3285 28.0788 -35.217 190.885 -67.7982 188.817 PRESSAVG: 3550200 -13.6658 -0.329272 28.4653 -0.329217 52.0054 24.2951 28.4653 24.2952 -3.54971 GPRESSAVG: 3550200 -13.557 0.803837 28.9596 0.414306 52.8218 22.8644 28.4676 22.6897 -4.3942 TIMING: 3550200 CPU: 11316.1, 0.00395162/step Wall: 11316.1, 0.00395162/step, 1.59141 hours remaining, 234.683594 MB of memory in use. ENERGY: 3550200 3899.8664 20495.2871 14468.1394 243.3068 -203659.4870 2536.4363 0.0000 0.0000 51869.1656 -110147.2855 298.0928 -162016.4511 -109774.3288 297.9356 -19.6653 9.3175 760694.7879 11.5966 11.6235 PRESSURE: 3550400 111.406 -55.1977 -120.404 -55.1974 -291.739 86.59 -120.404 86.5905 11.1347 GPRESSURE: 3550400 44.7588 10.7705 -119.763 -44.6593 -218.348 144.895 -60.5745 99.0574 81.9483 PRESSAVG: 3550400 -27.6937 -9.15222 15.9375 -9.15219 1.44815 25.2318 15.9375 25.2318 -20.6273 GPRESSAVG: 3550400 -27.6982 -7.76968 14.3731 -11.845 1.61705 26.3248 16.7398 25.6082 -20.4144 TIMING: 3550400 CPU: 11316.8, 0.00396844/step Wall: 11316.8, 0.00396844/step, 1.59796 hours remaining, 234.683594 MB of memory in use. ENERGY: 3550400 4003.1794 20579.3553 14501.5163 236.6102 -203902.8638 2610.2378 0.0000 0.0000 51954.0080 -110017.9568 298.5804 -161971.9648 -109657.3175 298.4335 -56.3994 -30.5469 759956.8966 -15.6243 -15.4985 PRESSURE: 3550600 177.243 23.0174 73.2324 23.0177 -63.3526 -5.74834 73.2325 -5.7489 -251.524 GPRESSURE: 3550600 175.525 -91.8126 112.847 61.5118 -12.2291 67.2869 100.028 -12.817 -212.635 PRESSAVG: 3550600 72.2663 38.1033 6.1206 38.1033 -10.7751 50.4366 6.12058 50.4366 9.12123 GPRESSAVG: 3550600 71.486 36.8187 5.86919 39.7287 -10.1766 50.2319 7.41153 50.4718 9.16056 TIMING: 3550600 CPU: 11317.6, 0.0039806/step Wall: 11317.6, 0.0039806/step, 1.60263 hours remaining, 234.683594 MB of memory in use. ENERGY: 3550600 4015.3524 20607.6999 14485.9362 265.2374 -204053.0225 2771.9590 0.0000 0.0000 51999.1378 -109907.6998 298.8398 -161906.8376 -109551.5561 298.5566 -45.8781 -16.4466 759845.5474 23.5375 23.4900 PRESSURE: 3550800 72.9457 -140.274 29.5647 -140.273 13.854 105.999 29.5648 106 -350.173 GPRESSURE: 3550800 129.374 -43.5218 17.0629 -146.351 -41.343 93.3312 68.204 137.522 -273.385 PRESSAVG: 3550800 40.4179 19.1461 10.4082 19.146 -62.6663 0.475535 10.4082 0.475578 9.08653 GPRESSAVG: 3550800 41.5317 18.482 11.8902 19.3527 -63.7273 -0.274883 8.65686 2.5993 8.93482 TIMING: 3550800 CPU: 11318.4, 0.00396926/step Wall: 11318.4, 0.00396926/step, 1.59785 hours remaining, 234.683594 MB of memory in use. ENERGY: 3550800 3994.2296 20714.6303 14435.5483 240.9706 -203957.7336 2726.0570 0.0000 0.0000 51752.5657 -110093.7322 297.4227 -161846.2979 -109743.6786 298.1162 -87.7912 -61.7844 759040.7237 -4.3873 -4.4203 PRESSURE: 3551000 -471.428 -157.902 12.3577 -157.903 89.2241 -152.157 12.358 -152.156 -91.2729 GPRESSURE: 3551000 -376.248 -115.7 -64.8467 -249.653 75.3859 -124.102 -9.19414 -166.633 -73.5048 PRESSAVG: 3551000 3.29406 16.7485 -21.3598 16.7485 6.57291 13.2821 -21.3599 13.282 25.0399 GPRESSAVG: 3551000 3.15969 17.1924 -21.8679 15.7152 5.61735 15.1256 -21.8889 10.0267 25.6572 TIMING: 3551000 CPU: 11319.2, 0.00398301/step Wall: 11319.2, 0.00398301/step, 1.60316 hours remaining, 234.683594 MB of memory in use. ENERGY: 3551000 4038.7323 20537.9706 14501.1676 224.9897 -203959.6055 2603.4957 0.0000 0.0000 52033.9928 -110019.2567 299.0401 -162053.2495 -109656.0433 298.3922 -157.8256 -124.7888 760805.7751 11.6356 11.4781 PRESSURE: 3551200 -59.2474 -157.264 120.114 -157.264 65.2453 158.669 120.114 158.669 158.847 GPRESSURE: 3551200 35.9303 -122.919 126.875 -145.676 57.1783 55.326 91.2389 122.859 123.319 PRESSAVG: 3551200 -6.41872 16.4253 53.8483 16.4253 -23.7259 21.9967 53.8483 21.9967 -13.7257 GPRESSAVG: 3551200 -6.76266 16.4208 53.9735 16.8538 -23.4358 19.7207 54.2189 22.2502 -13.8018 TIMING: 3551200 CPU: 11320, 0.00398678/step Wall: 11320, 0.00398678/step, 1.60446 hours remaining, 234.683594 MB of memory in use. ENERGY: 3551200 3998.3145 20382.5753 14522.3171 256.4304 -203541.3609 2586.5132 0.0000 0.0000 51900.3963 -109894.8140 298.2723 -161795.2103 -109524.7479 298.3633 54.9483 72.1426 760579.3823 -14.6235 -14.6668 PRESSURE: 3551400 72.2826 232.732 45.2681 232.733 65.1785 -226.693 45.2682 -226.691 -318.962 GPRESSURE: 3551400 29.1849 99.7765 36.7393 246.209 163.662 -126.499 17.0767 -50.6713 -289.43 PRESSAVG: 3551400 -29.1155 42.4245 52.4684 42.4245 28.2504 -1.94751 52.4684 -1.94748 6.18514 GPRESSAVG: 3551400 -30.4125 40.9004 53.0303 43.4614 28.6823 -0.19806 51.9941 -0.469509 6.90248 TIMING: 3551400 CPU: 11320.8, 0.00399446/step Wall: 11320.8, 0.00399446/step, 1.60733 hours remaining, 234.683594 MB of memory in use. ENERGY: 3551400 3953.7045 20504.3109 14530.4124 247.7136 -203803.4246 2839.6373 0.0000 0.0000 51970.2275 -109757.4184 298.6736 -161727.6459 -109411.1254 298.1809 -60.5003 -32.1943 760420.2610 1.7734 1.7241 PRESSURE: 3551600 -64.4393 16.4965 71.9481 16.4963 50.3188 3.74087 71.9474 3.73968 209.219 GPRESSURE: 3551600 84.1649 17.3776 24.8978 -21.7968 25.9142 -0.225909 103.665 -35.0812 183.278 PRESSAVG: 3551600 45.5262 26.0253 57.8611 26.0253 -81.3362 47.8971 57.8611 47.8971 12.3131 GPRESSAVG: 3551600 47.0652 27.5455 58.7712 26.6647 -81.7348 45.6814 57.3966 48.2298 11.4304 TIMING: 3551600 CPU: 11321.6, 0.0040085/step Wall: 11321.6, 0.0040085/step, 1.61275 hours remaining, 234.683594 MB of memory in use. ENERGY: 3551600 3904.8109 20462.9403 14423.2169 246.2888 -203729.2435 2812.7054 0.0000 0.0000 52110.9292 -109768.3520 299.4822 -161879.2812 -109396.0312 299.0742 65.0327 97.7859 761307.1170 -7.8323 -7.7464 PRESSURE: 3551800 0.0325484 120.935 30.1944 120.935 -163.331 46.7617 30.1942 46.7606 -88.8038 GPRESSURE: 3551800 18.6208 218.933 47.6155 162.365 -57.12 88.3675 -109.819 30.1796 -125.066 PRESSAVG: 3551800 -21.3626 -6.96934 13.7225 -6.96936 -1.7331 46.7594 13.7225 46.7594 -7.49452 GPRESSAVG: 3551800 -21.8443 -8.06379 12.6211 -7.92514 -0.860565 46.1272 14.3583 47.0582 -8.39285 TIMING: 3551800 CPU: 11322.4, 0.00399216/step Wall: 11322.4, 0.00399216/step, 1.60596 hours remaining, 234.683594 MB of memory in use. ENERGY: 3551800 3939.3142 20323.5242 14505.5769 267.0393 -203782.1670 2815.4512 0.0000 0.0000 52342.1724 -109589.0889 300.8112 -161931.2613 -109212.2454 299.2459 -84.0340 -54.5217 761758.3271 -10.1967 -10.3659 PRESSURE: 3552000 -115.214 144.549 -50.2398 144.549 -52.2091 316.079 -50.2399 316.08 256.418 GPRESSURE: 3552000 -222.426 5.7684 13.6381 105.366 63.8613 302.392 75.1177 235.972 329.334 PRESSAVG: 3552000 15.5021 -51.7605 -33.9862 -51.7605 -49.555 -8.5627 -33.9862 -8.56267 -1.18775 GPRESSAVG: 3552000 15.6415 -51.2143 -35.0752 -51.8773 -50.9043 -7.6153 -32.3084 -8.76733 -0.474923 TIMING: 3552000 CPU: 11323.2, 0.00397448/step Wall: 11323.2, 0.00397448/step, 1.59862 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3552000 3916.0767 20495.8293 14469.1527 236.5307 -203030.4907 2386.0889 0.0000 0.0000 51879.2982 -109647.5142 298.1510 -161526.8124 -109277.9074 299.1716 29.6647 56.9229 761160.1602 -11.7469 -11.9126 PRESSURE: 3552200 -14.3005 -324.522 46.018 -324.521 19.1631 -3.14475 46.0189 -3.1439 -32.5898 GPRESSURE: 3552200 -34.5901 -185.131 60.3258 -308.486 63.2931 86.54 -16.0373 -61.5677 21.7776 PRESSAVG: 3552200 48.9077 5.61434 -52.5564 5.61438 -49.769 7.58949 -52.5565 7.58948 -7.47706 GPRESSAVG: 3552200 47.0639 4.95702 -49.572 6.1513 -47.7957 6.42992 -54.2391 7.33403 -7.0208 TIMING: 3552200 CPU: 11324, 0.00397282/step Wall: 11324, 0.00397281/step, 1.59773 hours remaining, 234.683594 MB of memory in use. ENERGY: 3552200 3937.4693 20416.1032 14545.7891 243.3868 -203629.7957 2704.9667 0.0000 0.0000 52157.7737 -109624.3071 299.7514 -161782.0808 -109257.2803 299.4973 -9.2424 16.8269 760138.8493 -2.7795 -2.5842 LDB: ============= START OF LOAD BALANCING ============== 11336.5 LDB: ============== END OF LOAD BALANCING =============== 11336.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11336.5 LDB: ============= START OF LOAD BALANCING ============== 11336.9 LDB: Largest compute 7069 load 0.031826 is 16.5% of average load 0.193271 LDB: Average compute 0.004445 is 2.3% of average load 0.193271 LDB: TIME 11336.9 LOAD: AVG 0.193271 MAX 0.218291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.211 MB LDB: TIME 11336.9 LOAD: AVG 0.193271 MAX 0.218291 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 11336.9 LOAD: AVG 0.193271 MAX 0.215638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 11336.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11336.9 PRESSURE: 3552400 519.589 21.5931 70.9086 21.5938 274.074 -173.29 70.9092 -173.29 257.94 GPRESSURE: 3552400 473.368 87.3769 107.505 119.924 342.036 -113.742 -18.7213 -14.7 301.023 PRESSAVG: 3552400 26.186 30.0842 -29.9368 30.0843 -28.6827 -39.5671 -29.9367 -39.5671 16.7016 GPRESSAVG: 3552400 27.5245 31.8483 -31.9617 29.6936 -29.3609 -39.4503 -29.6416 -39.7658 16.4402 TIMING: 3552400 CPU: 11324.8, 0.00404022/step Wall: 11324.8, 0.00404022/step, 1.62462 hours remaining, 234.402344 MB of memory in use. ENERGY: 3552400 3946.3270 20572.2332 14484.6624 258.4203 -203795.3176 2958.2434 0.0000 0.0000 52019.7006 -109555.7308 298.9579 -161575.4314 -109197.7753 299.4564 350.5341 372.1424 760435.2979 4.7350 4.8679 PRESSURE: 3552600 165.462 -26.585 -285.982 -26.5851 -126.371 -64.7859 -285.983 -64.7867 292.833 GPRESSURE: 3552600 318.575 -51.4307 -321.912 -70.4748 -116.427 3.49981 -152.541 67.0224 212.724 PRESSAVG: 3552600 84.655 20.0894 27.8885 20.0894 -70.255 -2.70001 27.8885 -2.70007 5.63265 GPRESSAVG: 3552600 85.8573 17.8373 26.488 20.5423 -70.668 -1.94604 28.8865 -1.01043 4.91415 TIMING: 3552600 CPU: 11325.6, 0.00399781/step Wall: 11325.6, 0.00399781/step, 1.60734 hours remaining, 234.605469 MB of memory in use. ENERGY: 3552600 3982.6954 20449.9759 14474.1947 232.4493 -203512.3963 2563.6598 0.0000 0.0000 52191.1055 -109618.3156 299.9430 -161809.4211 -109250.5482 299.4844 110.6414 138.2907 760480.0937 6.6775 6.7011 PRESSURE: 3552800 -69.522 -45.7816 71.6767 -45.7817 288.32 73.9955 71.6761 73.9962 29.3216 GPRESSURE: 3552800 -84.6753 -151.078 39.4163 112.239 326.384 116.826 34.2196 9.8212 95.684 PRESSAVG: 3552800 21.4858 -32.2384 -28.7828 -32.2384 -7.0072 -58.4653 -28.7828 -58.4653 -10.6498 GPRESSAVG: 3552800 20.7336 -33.273 -27.499 -31.6204 -6.55761 -58.2509 -27.0934 -58.1827 -10.0669 TIMING: 3552800 CPU: 11326.4, 0.00397697/step Wall: 11326.4, 0.00397697/step, 1.59874 hours remaining, 234.605469 MB of memory in use. ENERGY: 3552800 3896.1194 20433.8812 14505.9214 249.7718 -203473.3657 2683.2130 0.0000 0.0000 52066.8930 -109637.5659 299.2291 -161704.4589 -109273.8692 299.5751 82.7066 112.4643 761556.6937 1.2763 1.3697 PRESSURE: 3553000 15.0043 -109.06 254.028 -109.059 -165.307 72.9135 254.028 72.9131 -150.591 GPRESSURE: 3553000 -27.5955 -57.5321 186.227 -80.4788 -88.872 93.446 193.725 156.952 -97.8305 PRESSAVG: 3553000 83.4226 3.66475 2.65885 3.66476 -69.3403 9.21307 2.65895 9.21305 -14.179 GPRESSAVG: 3553000 84.4235 7.48271 3.17797 0.947652 -70.1907 9.50198 0.496135 5.76243 -15.067 TIMING: 3553000 CPU: 11327.2, 0.00398802/step Wall: 11327.2, 0.00398802/step, 1.60296 hours remaining, 234.605469 MB of memory in use. ENERGY: 3553000 3974.2244 20510.9300 14480.8518 267.0428 -203457.0200 2545.1389 0.0000 0.0000 52178.8033 -109500.0288 299.8723 -161678.8321 -109144.0411 299.5667 -100.2980 -71.4327 760996.1537 -0.0322 -0.2781 PRESSURE: 3553200 103.027 -233.676 36.0322 -233.676 67.0092 -54.798 36.032 -54.7979 -133.493 GPRESSURE: 3553200 159.661 -172.316 32.7477 -121.787 137.157 27.6899 49.7467 27.4107 -187.876 PRESSAVG: 3553200 6.22567 -54.4278 33.5447 -54.4278 21.7538 -15.0213 33.5447 -15.0212 5.66119 GPRESSAVG: 3553200 6.07646 -58.0952 33.2524 -51.676 21.4576 -14.9848 31.7677 -12.7162 5.42766 TIMING: 3553200 CPU: 11328, 0.00396606/step Wall: 11328, 0.00396606/step, 1.59392 hours remaining, 234.605469 MB of memory in use. ENERGY: 3553200 3985.1420 20547.7000 14407.7360 236.9555 -203508.4815 2590.8397 0.0000 0.0000 52163.1003 -109577.0080 299.7821 -161740.1084 -109217.1130 299.6752 12.1811 36.3142 761765.2490 11.2136 10.9872 PRESSURE: 3553400 75.4551 90.8319 -15.9514 90.8322 9.7552 19.4492 -15.9514 19.4498 221.493 GPRESSURE: 3553400 97.9983 90.816 2.39004 94.414 -1.93833 1.71151 17.4397 9.72992 271.224 PRESSAVG: 3553400 20.2414 -45.2684 -4.52737 -45.2684 -48.0764 0.0987257 -4.5274 0.0987445 -4.55227 GPRESSAVG: 3553400 19.83 -44.2016 -3.65651 -44.5741 -48.5551 -1.70673 -4.23548 1.55699 -3.84289 TIMING: 3553400 CPU: 11328.8, 0.00396282/step Wall: 11328.8, 0.00396282/step, 1.59239 hours remaining, 234.605469 MB of memory in use. ENERGY: 3553400 3936.5534 20386.0995 14506.1658 253.3632 -202991.4516 2408.7914 0.0000 0.0000 52023.2078 -109477.2705 298.9781 -161500.4783 -109131.2234 299.0620 102.2344 122.4279 763319.4113 -10.7958 -10.8560 PRESSURE: 3553600 -49.8722 148.427 -53.9366 148.427 -82.4594 151.51 -53.9367 151.509 122.44 GPRESSURE: 3553600 -20.097 21.17 -88.1337 144.222 -123.627 86.6361 -10.0446 131.896 229.283 PRESSAVG: 3553600 25.6613 -55.5915 44.612 -55.5915 -47.1396 18.4817 44.6119 18.4816 -11.4899 GPRESSAVG: 3553600 24.6569 -54.208 43.9676 -57.924 -45.721 18.7232 45.184 15.3592 -12.1529 TIMING: 3553600 CPU: 11329.6, 0.00400387/step Wall: 11329.6, 0.00400387/step, 1.60866 hours remaining, 234.605469 MB of memory in use. ENERGY: 3553600 3991.1523 20622.0900 14474.3584 247.2693 -203471.2652 2617.6948 0.0000 0.0000 51669.2224 -109849.4778 296.9437 -161518.7003 -109502.6597 298.4157 -3.2972 28.5198 762840.6726 -10.9894 -11.0724 PRESSURE: 3553800 246.329 84.4559 -72.8367 84.4562 -372.686 23.4041 -72.8358 23.404 -501.472 GPRESSURE: 3553800 192.426 80.8211 3.45315 69.4697 -257.793 48.3957 132.284 -41.5292 -486.681 PRESSAVG: 3553800 86.9242 -15.6708 -1.58047 -15.6708 -74.784 -3.03798 -1.58046 -3.03795 -5.30843 GPRESSAVG: 3553800 87.1028 -17.487 -2.45331 -13.0441 -74.8996 -2.29286 2.01311 -0.949682 -5.47103 TIMING: 3553800 CPU: 11330.4, 0.00399069/step Wall: 11330.4, 0.00399069/step, 1.60315 hours remaining, 234.605469 MB of memory in use. ENERGY: 3553800 3944.2087 20417.4694 14421.1606 250.1854 -203362.6224 2642.6890 0.0000 0.0000 51919.5712 -109767.3382 298.3825 -161686.9094 -109404.2661 298.5859 -209.2762 -184.0159 763525.8719 2.2773 2.2441 PRESSURE: 3554000 354.103 106.748 5.89288 106.748 9.57517 -71.2365 5.89318 -71.2373 159.073 GPRESSURE: 3554000 352.09 16.812 8.76607 174.475 107.29 -105.42 -18.9229 -192.124 153.113 PRESSAVG: 3554000 81.5254 -43.5524 -29.1408 -43.5524 -12.8965 24.622 -29.1407 24.6219 3.22829 GPRESSAVG: 3554000 80.2302 -44.301 -28.6309 -44.8863 -12.6276 25.5364 -31.8867 20.742 3.53011 TIMING: 3554000 CPU: 11331.2, 0.00402984/step Wall: 11331.2, 0.00402984/step, 1.61865 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3554000 3923.3613 20530.8313 14464.6751 250.9755 -203406.5683 2838.1787 0.0000 0.0000 51831.4666 -109567.0798 297.8762 -161398.5464 -109214.8165 298.9338 174.2505 204.1646 762855.4956 23.9524 23.7109 PRESSURE: 3554200 -386.058 -184.89 -0.498232 -184.889 -224.776 59.6359 -0.498617 59.6364 190.158 GPRESSURE: 3554200 -291.924 -222.086 -82.73 -269.025 -228.23 194.07 22.7132 -21.2112 175.339 PRESSAVG: 3554200 5.1083 -11.7051 16.4307 -11.7051 -15.5946 -26.3254 16.4308 -26.3254 0.0275433 GPRESSAVG: 3554200 6.4256 -11.4254 17.1927 -12.0353 -16.6716 -28.7784 15.49 -23.3557 -0.114105 TIMING: 3554200 CPU: 11332, 0.00401856/step Wall: 11332, 0.00401856/step, 1.6139 hours remaining, 234.605469 MB of memory in use. ENERGY: 3554200 3971.7190 20613.9168 14478.1900 240.0875 -203399.7256 2549.0343 0.0000 0.0000 52030.1251 -109516.6529 299.0178 -161546.7780 -109159.2795 299.4317 -140.2253 -114.9387 762352.8451 -3.4863 -3.4534 PRESSURE: 3554400 13.5458 88.6835 95.9814 88.6838 61.4513 20.5061 95.9821 20.5057 -357.288 GPRESSURE: 3554400 56.9472 -15.5787 95.8599 165.612 37.7609 23.7707 178.844 222.936 -291.479 PRESSAVG: 3554400 46.874 -52.5226 68.7024 -52.5227 -23.0355 23.5075 68.7024 23.5075 -26.9008 GPRESSAVG: 3554400 46.9126 -52.0207 68.2863 -52.4659 -22.5541 25.0052 69.308 21.258 -27.3641 TIMING: 3554400 CPU: 11332.8, 0.00401603/step Wall: 11332.8, 0.00401603/step, 1.61266 hours remaining, 234.605469 MB of memory in use. ENERGY: 3554400 4029.1295 20353.5441 14549.1491 234.4005 -203060.4299 2334.1140 0.0000 0.0000 52106.4350 -109453.6577 299.4564 -161560.0927 -109090.1667 299.1578 -94.0969 -65.5904 761973.0381 -1.0208 -1.0019 PRESSURE: 3554600 -272.684 54.7655 -36.5409 54.7654 -53.9908 -41.3722 -36.5418 -41.3725 121.167 GPRESSURE: 3554600 -281.3 12.4816 -142.826 23.8248 57.1008 -148.939 50.181 -96.2947 102.107 PRESSAVG: 3554600 -32.258 3.46666 25.9641 3.46664 -4.28048 -11.5346 25.9642 -11.5345 20.7812 GPRESSAVG: 3554600 -33.7407 5.2247 24.2766 3.9359 -3.62537 -12.1667 25.6383 -7.65957 21.9649 TIMING: 3554600 CPU: 11333.6, 0.00401811/step Wall: 11333.6, 0.00401811/step, 1.61327 hours remaining, 234.605469 MB of memory in use. ENERGY: 3554600 3943.1875 20498.9732 14493.6967 233.7388 -203182.2329 2469.7154 0.0000 0.0000 52032.8892 -109510.0321 299.0337 -161542.9214 -109148.9014 299.3802 -68.5026 -40.6975 761732.1555 -5.2524 -5.1337 PRESSURE: 3554800 123.042 110.205 152.015 110.205 85.2296 -5.38813 152.014 -5.38797 279.041 GPRESSURE: 3554800 21.2877 60.9006 107.088 173.697 285.661 7.69897 269.414 -42.6671 265.271 PRESSAVG: 3554800 -24.2437 -18.9679 29.0714 -18.9679 -1.3876 -27.0225 29.0714 -27.0224 -12.2913 GPRESSAVG: 3554800 -22.9008 -21.1571 31.2618 -18.7967 -1.7973 -27.0597 28.6961 -31.2321 -13.6245 TIMING: 3554800 CPU: 11334.4, 0.00399772/step Wall: 11334.4, 0.00399772/step, 1.60486 hours remaining, 234.605469 MB of memory in use. ENERGY: 3554800 3943.7440 20416.6089 14525.8451 247.8874 -203298.8149 2508.7368 0.0000 0.0000 52208.1176 -109447.8753 300.0408 -161655.9928 -109082.7235 299.3951 162.4376 190.7401 762642.9940 -12.6409 -12.7742 PRESSURE: 3555000 -262.835 -337.056 263.6 -337.056 -209.821 -41.9016 263.6 -41.9015 -13.6198 GPRESSURE: 3555000 -241.834 -302.52 303.198 -185.085 -181.132 -28.6749 361.762 -40.0643 29.889 PRESSAVG: 3555000 -2.84752 -48.0693 47.1866 -48.0693 32.0371 -58.4015 47.1866 -58.4015 -0.768998 GPRESSAVG: 3555000 -3.54984 -46.4232 46.391 -48.7864 32.3396 -57.4998 48.2529 -58.3801 0.121596 TIMING: 3555000 CPU: 11335.2, 0.00398954/step Wall: 11335.2, 0.00398954/step, 1.60136 hours remaining, 234.605469 MB of memory in use. ENERGY: 3555000 4077.8500 20424.2115 14535.7491 254.3821 -203407.3836 2687.2109 0.0000 0.0000 52137.3617 -109290.6183 299.6341 -161427.9800 -108936.1559 299.3943 -162.0918 -131.0257 763410.5651 9.4735 9.6371 PRESSURE: 3555200 -64.9694 -71.6941 -40.6807 -71.6934 12.6411 -31.2521 -40.6802 -31.2529 -79.6236 GPRESSURE: 3555200 104.925 -51.8128 -35.1921 -75.327 -7.73303 -7.13724 -80.2651 -114.701 -134.292 PRESSAVG: 3555200 41.3378 -30.1434 36.3277 -30.1434 -72.7455 22.5917 36.3276 22.5917 -1.35358 GPRESSAVG: 3555200 42.0964 -30.8233 37.2277 -29.6786 -73.7494 22.5366 34.8931 22.0247 -1.05187 TIMING: 3555200 CPU: 11336, 0.00399303/step Wall: 11336, 0.00399303/step, 1.60253 hours remaining, 234.671875 MB of memory in use. ENERGY: 3555200 3963.6654 20530.2188 14404.9225 251.6008 -203183.2400 2551.5141 0.0000 0.0000 52021.3585 -109459.9599 298.9675 -161481.3184 -109094.7211 299.8930 -43.9840 -12.3668 761516.8569 -10.9204 -10.9016 PRESSURE: 3555400 153.467 59.5749 178.95 59.5749 54.8891 -21.6999 178.951 -21.6997 -109.06 GPRESSURE: 3555400 134.315 14.6033 71.717 -49.4569 161.8 85.5898 120.337 -122.53 -81.7925 PRESSAVG: 3555400 -3.54511 -26.8332 20.6361 -26.8331 26.292 3.93404 20.6362 3.93401 10.3306 GPRESSAVG: 3555400 -4.73354 -27.7655 18.9675 -26.2774 27.387 3.98495 21.998 6.48597 10.7528 TIMING: 3555400 CPU: 11336.8, 0.0039669/step Wall: 11336.8, 0.0039669/step, 1.59183 hours remaining, 234.671875 MB of memory in use. ENERGY: 3555400 4094.6968 20586.2487 14527.1283 262.6841 -203431.6383 2607.5447 0.0000 0.0000 51961.1772 -109392.1585 298.6216 -161353.3357 -109033.5503 299.5387 33.0986 71.4407 761878.5535 11.0258 11.1354 PRESSURE: 3555600 350.097 -226.706 15.9019 -226.705 79.4283 -120.278 15.9017 -120.279 146.814 GPRESSURE: 3555600 435.809 -210.502 -5.35611 -180.054 62.8773 -131.158 70.9597 -125.11 167.079 PRESSAVG: 3555600 -28.9902 -36.8694 -17.2744 -36.8694 77.519 -9.82983 -17.2744 -9.82981 37.9903 GPRESSAVG: 3555600 -28.3133 -34.4834 -16.8821 -36.8764 77.2252 -9.44015 -17.5336 -9.24724 38.1243 TIMING: 3555600 CPU: 11337.6, 0.00396309/step Wall: 11337.6, 0.00396309/step, 1.59008 hours remaining, 234.671875 MB of memory in use. ENERGY: 3555600 4020.3003 20286.0458 14451.8301 245.4696 -203264.9407 2603.6645 0.0000 0.0000 52361.3913 -109296.2390 300.9216 -161657.6302 -108925.6799 300.1889 192.1133 221.9220 761519.7465 28.8397 29.0120 PRESSURE: 3555800 -159.589 6.72177 -183.425 6.72282 -44.0248 301.117 -183.426 301.117 39.2297 GPRESSURE: 3555800 -153.908 -81.2432 -235.725 28.7945 -13.5684 196.618 -50.0561 191.11 98.4165 PRESSAVG: 3555800 22.3069 -53.7986 -12.4065 -53.7986 -3.49757 -4.37708 -12.4065 -4.37709 -31.8858 GPRESSAVG: 3555800 22.9993 -55.2646 -11.9559 -56.5757 -4.00142 -5.72349 -11.3319 -5.84943 -31.9712 TIMING: 3555800 CPU: 11338.4, 0.00398628/step Wall: 11338.4, 0.00398628/step, 1.59916 hours remaining, 234.671875 MB of memory in use. ENERGY: 3555800 3972.4323 20640.6768 14501.9458 257.1663 -203098.2156 2336.0660 0.0000 0.0000 52136.7980 -109253.1304 299.6309 -161389.9284 -108888.8963 299.9511 -54.7948 -23.0201 760146.0171 -4.3588 -4.3244 PRESSURE: 3556000 -352.812 64.3271 -101.023 64.3266 -172.105 -56.5989 -101.023 -56.5986 -146.995 GPRESSURE: 3556000 -386.821 114.406 -104.715 35.5614 -128.952 -108.297 -97.225 110.23 -73.3758 PRESSAVG: 3556000 5.44564 -17.028 -7.12576 -17.028 -35.5521 -34.7803 -7.12581 -34.7804 1.09118 GPRESSAVG: 3556000 4.78551 -16.1977 -6.61949 -13.6893 -34.6692 -34.709 -8.28816 -34.9655 0.69015 TIMING: 3556000 CPU: 11339.2, 0.00400295/step Wall: 11339.2, 0.00400295/step, 1.60563 hours remaining, 234.671875 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: 3556000 4008.8885 20605.9246 14445.6729 248.1006 -202982.9600 2365.2878 0.0000 0.0000 52137.8085 -109171.2772 299.6367 -161309.0857 -108811.4219 299.9448 -223.9706 -196.3827 763078.2037 -9.6718 -9.7312 PRESSURE: 3556200 102.529 -49.1671 148.869 -49.167 -85.061 -101.9 148.868 -101.901 -33.9224 GPRESSURE: 3556200 138.117 -103.664 156.74 -172.042 -15.6267 -95.7439 134.416 4.45854 -33.6459 PRESSAVG: 3556200 5.89719 -51.477 4.50247 -51.477 20.1681 -5.52928 4.50243 -5.52932 29.428 GPRESSAVG: 3556200 6.62699 -53.4384 2.58734 -51.2096 19.7302 -4.62062 6.92449 -5.90965 29.9132 TIMING: 3556200 CPU: 11340, 0.00400893/step Wall: 11340, 0.00400893/step, 1.6078 hours remaining, 234.671875 MB of memory in use. ENERGY: 3556200 3971.1158 20497.3611 14450.3405 262.3093 -202679.6857 2167.0468 0.0000 0.0000 52239.1185 -109092.3937 300.2189 -161331.5122 -108721.6847 300.1689 -5.4849 29.6148 760873.9874 18.4978 18.7568 LDB: ============= START OF LOAD BALANCING ============== 11352.5 LDB: ============== END OF LOAD BALANCING =============== 11352.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11352.5 LDB: ============= START OF LOAD BALANCING ============== 11352.9 LDB: Largest compute 7068 load 0.031306 is 16.2% of average load 0.193220 LDB: Average compute 0.004448 is 2.3% of average load 0.193220 LDB: TIME 11352.9 LOAD: AVG 0.19322 MAX 0.214064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.551 MB LDB: TIME 11352.9 LOAD: AVG 0.19322 MAX 0.214064 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: TIME 11352.9 LOAD: AVG 0.19322 MAX 0.214064 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: ============== END OF LOAD BALANCING =============== 11352.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11352.9 PRESSURE: 3556400 70.8972 -53.7828 63.4947 -53.7823 30.2025 75.8047 63.4942 75.8048 234.709 GPRESSURE: 3556400 13.7438 -115.174 20.3857 -42.8741 92.9436 27.2978 58.5139 37.4276 296.875 PRESSAVG: 3556400 -21.4178 -65.0418 -9.81243 -65.0418 3.82574 -23.3566 -9.8124 -23.3566 19.9854 GPRESSAVG: 3556400 -21.0304 -62.3473 -8.4895 -65.7012 3.96371 -24.4407 -12.538 -22.6761 18.7664 TIMING: 3556400 CPU: 11340.8, 0.00409333/step Wall: 11340.8, 0.00409333/step, 1.64143 hours remaining, 233.109375 MB of memory in use. ENERGY: 3556400 3964.3667 20607.9998 14520.9697 240.8596 -202881.3976 2467.3240 0.0000 0.0000 52242.2015 -108837.6761 300.2367 -161079.8777 -108472.4118 300.7143 111.9363 134.5209 761790.8308 0.7978 0.5666 PRESSURE: 3556600 600.096 -126.27 -18.5218 -126.27 -51.8151 237.528 -18.5208 237.527 -162.484 GPRESSURE: 3556600 668.343 -52.7442 -43.8995 -199.559 -64.9077 280.342 56.8217 282.631 -116.173 PRESSAVG: 3556600 21.0189 -39.4199 3.6994 -39.42 25.9206 40.6469 3.69947 40.6469 -2.49382 GPRESSAVG: 3556600 19.2194 -40.6657 3.21875 -38.5258 27.1783 41.5188 3.79576 40.8837 -1.69359 TIMING: 3556600 CPU: 11341.6, 0.00400826/step Wall: 11341.6, 0.00400826/step, 1.60709 hours remaining, 233.312500 MB of memory in use. ENERGY: 3556600 3914.6047 20571.0771 14501.8354 240.4543 -203027.8170 2540.9060 0.0000 0.0000 52410.1638 -108848.7756 301.2019 -161258.9394 -108488.7172 300.7834 128.5989 162.4210 761128.3169 14.8152 14.9014 PRESSURE: 3556800 -226.979 223.208 100.305 223.208 36.6692 -283.395 100.305 -283.395 -160.791 GPRESSURE: 3556800 -100.778 169.328 138.011 184.244 44.623 -234.639 13.2045 -145.836 -187.864 PRESSAVG: 3556800 -20.1167 -23.6204 -54.3898 -23.6203 -10.0589 8.73638 -54.3898 8.73641 7.13701 GPRESSAVG: 3556800 -18.8721 -24.0669 -52.6186 -23.2057 -10.3553 8.53834 -54.3603 9.79448 6.51966 TIMING: 3556800 CPU: 11342.4, 0.00399066/step Wall: 11342.4, 0.00399066/step, 1.59981 hours remaining, 233.312500 MB of memory in use. ENERGY: 3556800 3965.6782 20593.8786 14457.4299 246.2557 -203264.6459 2709.4889 0.0000 0.0000 52235.4780 -109056.4367 300.1980 -161291.9147 -108694.1062 300.2507 -117.0335 -81.3396 762861.6334 -7.6795 -7.5692 PRESSURE: 3557000 231.306 -170.574 -43.6124 -170.573 36.6355 -149.271 -43.6133 -149.272 -168.029 GPRESSURE: 3557000 193.949 -174.884 -87.6026 -90.5905 32.9631 -198.394 -25.6165 -175.911 -59.9613 PRESSAVG: 3557000 -6.81289 -10.5352 3.98627 -10.5351 29.1879 -55.871 3.98627 -55.8711 13.8428 GPRESSAVG: 3557000 -6.52224 -10.2814 4.09703 -10.6718 27.6619 -56.1504 3.35916 -55.2676 14.6723 TIMING: 3557000 CPU: 11343.2, 0.00398697/step Wall: 11343.2, 0.00398697/step, 1.59811 hours remaining, 233.312500 MB of memory in use. ENERGY: 3557000 3975.8475 20558.7027 14537.7205 237.7566 -203173.4331 2317.1310 0.0000 0.0000 52368.0999 -109178.1751 300.9602 -161546.2750 -108822.2854 300.1898 33.3042 55.6503 758975.9674 12.0726 11.9373 PRESSURE: 3557200 294.208 -317.436 -6.20446 -317.436 86.1642 38.5504 -6.20485 38.5499 438.548 GPRESSURE: 3557200 257.146 -321.853 -27.5472 -121.092 205.997 44.6758 88.9796 -67.8243 434.896 PRESSAVG: 3557200 -2.43585 -62.4253 -52.4574 -62.4253 -50.868 -10.9045 -52.4574 -10.9046 -11.404 GPRESSAVG: 3557200 -2.52754 -63.0071 -53.7543 -62.0842 -49.5914 -11.7893 -53.3009 -12.2719 -12.318 TIMING: 3557200 CPU: 11344, 0.00400155/step Wall: 11344, 0.00400155/step, 1.60373 hours remaining, 233.312500 MB of memory in use. ENERGY: 3557200 4005.7169 20423.5172 14505.0241 253.8044 -203269.2735 2660.0329 0.0000 0.0000 52251.7376 -109169.4403 300.2915 -161421.1779 -108795.0262 299.5541 272.9732 299.3463 759938.3989 -21.5693 -21.4790 PRESSURE: 3557400 -342.159 90.5598 -274.712 90.5593 -370.558 174.623 -274.711 174.624 -42.2065 GPRESSURE: 3557400 -259.849 124.568 -178.592 -47.9909 -337.651 183.303 -189.029 174.252 -70.831 PRESSAVG: 3557400 28.5055 -53.8015 -49.3347 -53.8016 0.772806 2.24352 -49.3347 2.24343 -2.92083 GPRESSAVG: 3557400 28.3748 -54.6589 -48.2577 -53.4794 0.461876 3.23299 -49.1744 1.12161 -2.60508 TIMING: 3557400 CPU: 11344.8, 0.00400565/step Wall: 11344.8, 0.00400565/step, 1.60515 hours remaining, 233.312500 MB of memory in use. ENERGY: 3557400 4004.3277 20583.4908 14533.0200 224.3174 -203210.4031 2496.2876 0.0000 0.0000 52261.7674 -109107.1923 300.3491 -161368.9597 -108741.7660 300.1141 -251.6412 -222.7771 761044.1388 8.7858 8.7439 PRESSURE: 3557600 -200.419 115.364 -21.8396 115.364 -87.5384 -245.566 -21.8394 -245.566 150.192 GPRESSURE: 3557600 -88.3206 76.8145 -53.0019 144.935 -225.454 -223.283 39.4799 -159.099 248.119 PRESSAVG: 3557600 43.6531 -14.3061 -62.8114 -14.3061 -1.10637 39.9463 -62.8115 39.9462 19.252 GPRESSAVG: 3557600 43.7321 -13.5921 -63.5867 -16.0837 -0.253009 41.2416 -62.3811 39.4656 18.5427 TIMING: 3557600 CPU: 11345.6, 0.00401253/step Wall: 11345.6, 0.00401253/step, 1.60769 hours remaining, 233.312500 MB of memory in use. ENERGY: 3557600 3982.7556 20500.8783 14540.9977 242.0965 -203103.0176 2509.1362 0.0000 0.0000 52251.0701 -109076.0831 300.2876 -161327.1532 -108718.5820 300.4009 -45.9220 -21.8852 762781.9472 20.5996 20.6739 PRESSURE: 3557800 57.2281 -10.4003 52.4936 -10.3999 -345.205 -32.3171 52.4934 -32.3175 -139.509 GPRESSURE: 3557800 110.16 49.8329 53.1444 60.7287 -330.295 -58.9674 -8.29958 -22.3125 -126.739 PRESSAVG: 3557800 8.3707 -43.2076 -2.0788 -43.2076 27.643 -1.07246 -2.07884 -1.07238 -12.5652 GPRESSAVG: 3557800 7.61406 -42.1037 -0.723151 -43.8194 27.5712 -1.99084 -4.63994 -2.38706 -12.2379 TIMING: 3557800 CPU: 11346.4, 0.0039958/step Wall: 11346.4, 0.0039958/step, 1.60076 hours remaining, 233.312500 MB of memory in use. ENERGY: 3557800 3968.7543 20503.6310 14533.1587 258.7662 -203201.8407 2421.6976 0.0000 0.0000 52350.3609 -109165.4720 300.8582 -161515.8329 -108798.9725 300.2853 -142.4955 -115.6247 760972.3333 7.8162 7.6491 PRESSURE: 3558000 -315.558 32.202 107.682 32.2015 -6.47227 83.8351 107.682 83.8358 -85.2606 GPRESSURE: 3558000 -259.348 -8.71511 147.588 -68.0815 -5.38363 115.529 87.161 211.461 -63.5489 PRESSAVG: 3558000 22.0234 -48.8907 -2.45168 -48.8907 -0.84051 68.6679 -2.45173 68.6679 -29.263 GPRESSAVG: 3558000 23.1647 -49.3534 -2.60438 -46.4607 -1.2124 68.2134 -1.30232 71.7393 -30.1932 TIMING: 3558000 CPU: 11347.2, 0.00398528/step Wall: 11347.2, 0.00398528/step, 1.59632 hours remaining, 233.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3558000 3967.7668 20644.9691 14533.5931 254.1752 -203354.2206 2475.6893 0.0000 0.0000 52158.0983 -109319.9289 299.7533 -161478.0272 -108964.2382 300.2066 -135.7637 -109.4269 762143.5942 -2.6933 -2.7469 PRESSURE: 3558200 -332.156 33.4048 44.7226 33.4046 33.305 -129.072 44.7218 -129.071 134.454 GPRESSURE: 3558200 -297.545 79.441 121.309 3.35087 66.7012 -213.651 92.4806 -198.172 139.822 PRESSAVG: 3558200 77.796 -44.4015 -45.8196 -44.4015 -7.65055 10.4039 -45.8197 10.4039 19.729 GPRESSAVG: 3558200 77.1438 -45.0624 -46.6764 -45.6611 -7.87212 10.4044 -45.497 9.87553 20.3181 TIMING: 3558200 CPU: 11348, 0.00399046/step Wall: 11348, 0.00399046/step, 1.59818 hours remaining, 233.312500 MB of memory in use. ENERGY: 3558200 3973.9261 20576.1800 14562.8730 250.7313 -203262.9530 2557.1733 0.0000 0.0000 52144.2269 -109197.8423 299.6736 -161342.0691 -108827.3565 300.1472 -54.7988 -30.3406 760108.3528 29.9581 29.8632 PRESSURE: 3558400 -66.6451 -4.91411 -270.555 -4.91464 34.1933 -27.3815 -270.555 -27.3816 -181.671 GPRESSURE: 3558400 -57.4461 -46.0962 -297.396 -20.7998 109.789 -116.27 -360.582 -58.1268 -160.694 PRESSAVG: 3558400 4.18527 -10.1303 -27.2362 -10.1303 17.0339 1.73742 -27.2362 1.73732 29.5994 GPRESSAVG: 3558400 3.60845 -10.1715 -27.2502 -8.9269 16.8729 2.09835 -24.4917 2.86562 29.6083 TIMING: 3558400 CPU: 11348.8, 0.00399341/step Wall: 11348.8, 0.00399341/step, 1.59914 hours remaining, 233.312500 MB of memory in use. ENERGY: 3558400 3973.6078 20690.0421 14526.4013 270.5932 -203148.1644 2569.5198 0.0000 0.0000 52070.6918 -109047.3084 299.2510 -161118.0002 -108685.9812 300.4679 -71.3744 -36.1171 761656.1552 16.9395 16.6966 PRESSURE: 3558600 -75.2446 -8.55014 -161.762 -8.54929 -238.974 -193.003 -161.761 -193.002 -36.4375 GPRESSURE: 3558600 -79.7375 84.4463 7.07479 9.54953 -198.759 -158.825 -140.058 -63.6185 2.2266 PRESSAVG: 3558600 10.6883 -113.937 13.7193 -113.936 -2.61347 -16.2315 13.7193 -16.2315 -5.41396 GPRESSAVG: 3558600 11.087 -111.322 13.4447 -115.889 -2.58146 -13.9841 12.9065 -18.3347 -5.55388 TIMING: 3558600 CPU: 11349.6, 0.0039861/step Wall: 11349.6, 0.0039861/step, 1.59599 hours remaining, 233.312500 MB of memory in use. ENERGY: 3558600 4004.6987 20600.3360 14583.3778 267.7540 -203108.3816 2391.5488 0.0000 0.0000 52167.5474 -109093.1190 299.8076 -161260.6664 -108722.7305 300.1976 -116.8854 -92.0898 760959.8910 0.8870 0.9839 PRESSURE: 3558800 195.443 -167.732 -86.7224 -167.732 213.393 140.956 -86.7224 140.956 251.552 GPRESSURE: 3558800 285.727 -157.153 -116.622 -31.644 77.1514 150.843 -125.65 7.36862 371.22 PRESSAVG: 3558800 20.9489 -43.2257 21.0711 -43.2257 -0.428796 9.33442 21.0711 9.3344 2.65019 GPRESSAVG: 3558800 21.8459 -46.6038 20.5525 -40.4885 -1.63758 6.5848 18.5353 8.84777 3.07468 TIMING: 3558800 CPU: 11350.4, 0.00399546/step Wall: 11350.4, 0.00399546/step, 1.59951 hours remaining, 233.312500 MB of memory in use. ENERGY: 3558800 4007.8082 20572.6450 14481.4753 253.3267 -203770.6738 2861.9376 0.0000 0.0000 52379.5310 -109213.9499 301.0259 -161593.4809 -108839.8513 300.0234 220.1293 244.6995 761048.3556 7.7234 7.7610 PRESSURE: 3559000 -272.985 78.9804 -30.5706 78.9797 217.65 -50.9161 -30.5703 -50.9152 415.31 GPRESSURE: 3559000 -205.239 298.785 -60.4947 28.1096 217.086 -80.9649 -18.0848 -20.2674 443.007 PRESSAVG: 3559000 -23.3169 -11.0947 0.00813505 -11.0947 14.8077 1.27217 0.00813747 1.27211 7.07534 GPRESSAVG: 3559000 -22.2733 -8.99651 1.70875 -11.8217 15.1048 1.85311 -0.67669 2.9674 6.08208 TIMING: 3559000 CPU: 11351.2, 0.00398865/step Wall: 11351.2, 0.00398865/step, 1.59657 hours remaining, 233.312500 MB of memory in use. ENERGY: 3559000 3975.3860 20576.4027 14439.4653 252.0401 -203359.8665 2532.8746 0.0000 0.0000 52344.9317 -109238.7662 300.8270 -161583.6979 -108871.3201 299.9688 119.9916 151.6183 761390.0762 -0.4780 -0.3621 PRESSURE: 3559200 117.695 84.6726 49.6276 84.6733 -192.504 101.619 49.6277 101.618 -285.754 GPRESSURE: 3559200 130.503 139.055 -20.2031 151.394 -162.838 79.9585 18.816 62.3234 -233.088 PRESSAVG: 3559200 9.40324 -10.9875 -30.0818 -10.9876 -30.9521 -32.7161 -30.0819 -32.7161 7.18066 GPRESSAVG: 3559200 8.16588 -10.3537 -30.0442 -11.8159 -31.978 -34.4309 -29.8187 -33.4573 9.10284 TIMING: 3559200 CPU: 11352, 0.00398184/step Wall: 11352, 0.00398184/step, 1.59362 hours remaining, 233.312500 MB of memory in use. ENERGY: 3559200 3960.8752 20568.9596 14504.9548 241.7423 -203342.0224 2597.9033 0.0000 0.0000 52138.9364 -109328.6508 299.6432 -161467.5872 -108969.8749 300.2404 -120.1876 -88.4743 760720.5674 -4.7894 -4.9031 PRESSURE: 3559400 -252.764 -351.833 -88.5944 -351.832 -191.154 -249.457 -88.5946 -249.458 -27.2222 GPRESSURE: 3559400 -233.64 -257.341 20.9477 -295.057 -139.036 -233.247 102.987 -26.2086 -13.9921 PRESSAVG: 3559400 23.477 -71.2058 -28.9925 -71.2058 -81.3669 53.7712 -28.9925 53.7712 -11.5202 GPRESSAVG: 3559400 22.3787 -72.4227 -28.4603 -71.1723 -79.6918 54.6643 -27.7946 54.538 -12.0672 TIMING: 3559400 CPU: 11352.8, 0.00400221/step Wall: 11352.8, 0.00400221/step, 1.60155 hours remaining, 233.312500 MB of memory in use. ENERGY: 3559400 4010.5669 20542.5305 14517.8405 268.9811 -203270.9142 2395.2692 0.0000 0.0000 52102.6156 -109433.1103 299.4344 -161535.7259 -109062.9400 299.7013 -157.0469 -128.8892 761135.5353 -23.1367 -23.1268 PRESSURE: 3559600 13.9736 7.1068 82.362 7.10745 -115.993 314.655 82.3625 314.656 -26.8652 GPRESSURE: 3559600 -27.6416 -23.9235 -7.40157 26.974 -8.62067 269.912 121.499 297.742 -4.93602 PRESSAVG: 3559600 12.2166 -72.2774 15.644 -72.2775 0.848694 -1.91696 15.6439 -1.9169 -23.5543 GPRESSAVG: 3559600 11.5447 -71.7309 14.3945 -73.4451 2.62066 -2.33629 17.3577 -1.49959 -25.1516 TIMING: 3559600 CPU: 11353.6, 0.0039939/step Wall: 11353.6, 0.0039939/step, 1.598 hours remaining, 233.312500 MB of memory in use. ENERGY: 3559600 3954.1719 20547.7930 14526.4583 258.2814 -203257.1576 2441.2328 0.0000 0.0000 52136.7682 -109392.4519 299.6307 -161529.2200 -109028.3477 299.7300 -42.9614 -13.7327 761573.0145 -3.4963 -3.6621 PRESSURE: 3559800 400.22 5.26157 219.162 5.26149 -67.3247 -295.11 219.162 -295.109 -164.524 GPRESSURE: 3559800 426.226 11.0921 199.147 113.169 29.0339 -358.139 226.788 -232.173 -207.876 PRESSAVG: 3559800 -51.709 -53.8297 -8.93099 -53.8298 25.4852 -32.7233 -8.9309 -32.7233 14.6155 GPRESSAVG: 3559800 -50.9318 -54.6953 -8.03165 -51.2548 24.8756 -31.2442 -10.2682 -33.5569 15.325 TIMING: 3559800 CPU: 11354.4, 0.00399772/step Wall: 11354.4, 0.00399772/step, 1.59931 hours remaining, 233.312500 MB of memory in use. ENERGY: 3559800 4036.1010 20559.5284 14443.6598 244.3821 -203747.6833 2776.6180 0.0000 0.0000 51966.7212 -109720.6728 298.6535 -161687.3940 -109376.5498 299.3939 56.1237 82.4613 761115.7513 -3.8695 -3.5771 PRESSURE: 3560000 -497.435 -69.4147 29.3451 -69.4149 134.883 74.4265 29.3451 74.4263 -9.24294 GPRESSURE: 3560000 -394.173 -56.7105 50.7273 -36.7508 136.325 69.2001 -34.6932 -21.708 -35.8582 PRESSAVG: 3560000 -22.0879 -43.2953 -18.8885 -43.2953 28.3387 -16.5748 -18.8885 -16.5749 -4.24853 GPRESSAVG: 3560000 -21.5046 -42.1608 -20.5647 -43.8191 28.2323 -17.3721 -16.594 -17.3188 -4.86371 TIMING: 3560000 CPU: 11355.2, 0.00401826/step Wall: 11355.2, 0.00401826/step, 1.6073 hours remaining, 233.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3560000 4065.0353 20451.9601 14488.8406 233.2711 -203773.8784 2754.2442 0.0000 0.0000 52027.5672 -109752.9598 299.0031 -161780.5270 -109396.2413 299.1906 -123.9317 -97.9022 762189.7892 0.6674 0.6213 PRESSURE: 3560200 351.179 46.8563 -87.7537 46.8547 268.89 -156.365 -87.754 -156.366 186.722 GPRESSURE: 3560200 335.054 19.8215 -188.48 -6.59169 341.435 -73.233 -166.427 -205.207 207.192 PRESSAVG: 3560200 -39.0176 -38.238 -18.3267 -38.238 32.269 -8.55011 -18.3268 -8.55017 -2.06124 GPRESSAVG: 3560200 -39.1339 -36.9976 -17.194 -39.1896 31.6683 -6.6103 -20.2449 -8.65506 -1.22447 TIMING: 3560200 CPU: 11356, 0.00400853/step Wall: 11356, 0.00400853/step, 1.60319 hours remaining, 233.312500 MB of memory in use. ENERGY: 3560200 3895.3424 20369.4855 14470.6118 264.3076 -203960.6539 2895.3893 0.0000 0.0000 52149.7523 -109915.7651 299.7053 -162065.5174 -109544.8963 298.8862 268.9306 294.5602 759815.9277 -2.9366 -2.8967 LDB: ============= START OF LOAD BALANCING ============== 11368.5 LDB: ============== END OF LOAD BALANCING =============== 11368.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11368.5 LDB: ============= START OF LOAD BALANCING ============== 11368.9 LDB: Largest compute 7067 load 0.030029 is 15.5% of average load 0.193309 LDB: Average compute 0.004424 is 2.3% of average load 0.193309 LDB: TIME 11368.9 LOAD: AVG 0.193309 MAX 0.218348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.34 MB LDB: TIME 11368.9 LOAD: AVG 0.193309 MAX 0.218348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 11368.9 LOAD: AVG 0.193309 MAX 0.21558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 11368.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11368.9 PRESSURE: 3560400 332.071 90.7544 71.7236 90.755 -66.8437 45.78 71.7237 45.7808 254.981 GPRESSURE: 3560400 322.474 126.1 27.3888 202.8 35.4296 -35.7994 136.817 -65.7523 256.528 PRESSAVG: 3560400 -21.6004 -6.72312 -37.8713 -6.72316 -4.45619 -21.4088 -37.8713 -21.4087 -9.73839 GPRESSAVG: 3560400 -22.0009 -7.53403 -38.366 -5.46947 -3.34539 -22.8713 -38.7771 -21.7614 -9.76904 TIMING: 3560400 CPU: 11356.8, 0.00407101/step Wall: 11356.8, 0.00407101/step, 1.62795 hours remaining, 233.312500 MB of memory in use. ENERGY: 3560400 3931.8547 20260.2405 14538.9350 230.8871 -203852.9360 2990.1863 0.0000 0.0000 52007.6552 -109893.1771 298.8887 -161900.8323 -109529.8647 298.3814 173.4030 204.8107 761085.0794 -11.9317 -11.7051 PRESSURE: 3560600 230.244 90.4334 204.048 90.4334 260.081 -31.2219 204.048 -31.2223 -163.077 GPRESSURE: 3560600 165.828 -65.2727 216.39 11.1662 372.053 -85.5105 140.036 40.9704 -103.985 PRESSAVG: 3560600 82.0301 18.7585 -30.3103 18.7586 -45.231 6.11692 -30.3103 6.11693 8.92772 GPRESSAVG: 3560600 82.4511 16.9486 -30.3363 15.2195 -45.8023 6.17613 -30.7202 8.32526 9.61177 TIMING: 3560600 CPU: 11357.6, 0.00400301/step Wall: 11357.6, 0.00400301/step, 1.60054 hours remaining, 233.312500 MB of memory in use. ENERGY: 3560600 4000.1020 20511.0936 14477.4927 259.8530 -203487.5327 2407.1173 0.0000 0.0000 51913.3725 -109918.5016 298.3469 -161831.8741 -109558.6868 298.5362 109.0825 144.6320 760368.4791 15.2423 15.4202 PRESSURE: 3560800 -377.541 138.85 98.4833 138.85 31.8112 -109.765 98.483 -109.764 -461.21 GPRESSURE: 3560800 -365.243 47.509 99.2699 109.46 126.381 -7.15684 36.664 -4.91419 -469.172 PRESSAVG: 3560800 16.8785 -13.4238 -5.21787 -13.4237 1.5214 -54.9984 -5.2179 -54.9984 -6.19249 GPRESSAVG: 3560800 17.3289 -12.5907 -6.37381 -11.289 0.729389 -56.338 -5.1995 -54.4456 -6.21165 TIMING: 3560800 CPU: 11358.4, 0.00399013/step Wall: 11358.4, 0.00399013/step, 1.59516 hours remaining, 233.570312 MB of memory in use. ENERGY: 3560800 4034.8325 20351.1054 14417.6143 241.4581 -203391.9585 2481.5709 0.0000 0.0000 51966.9679 -109898.4094 298.6549 -161865.3773 -109532.0401 298.9417 -268.9799 -236.0116 761190.3245 4.0691 3.9489 PRESSURE: 3561000 441.231 152.654 129.18 152.654 18.8416 171.127 129.179 171.128 37.8882 GPRESSURE: 3561000 435.113 65.1564 51.4731 183.707 58.5683 187.552 119.602 93.252 72.8558 PRESSAVG: 3561000 55.2794 -53.6622 -10.2386 -53.6623 -49.5587 41.5939 -10.2386 41.5939 -12.6061 GPRESSAVG: 3561000 54.727 -51.8193 -11.1767 -53.1521 -48.9125 43.7212 -8.72178 39.3372 -12.6354 TIMING: 3561000 CPU: 11359.2, 0.00397861/step Wall: 11359.2, 0.00397861/step, 1.59034 hours remaining, 233.570312 MB of memory in use. ENERGY: 3561000 4019.3495 20575.5105 14458.3242 269.6812 -203751.9939 2790.1281 0.0000 0.0000 51747.3076 -109891.6928 297.3925 -161639.0004 -109536.3452 298.6515 165.9871 188.8456 760014.0289 -2.2951 -2.2736 PRESSURE: 3561200 -41.6575 -158.311 -205.68 -158.312 -235.304 47.7754 -205.68 47.7759 -247.178 GPRESSURE: 3561200 -55.4157 -47.6268 -157.324 -206.726 -159.029 16.7817 12.8665 90.5962 -193.48 PRESSAVG: 3561200 71.0046 -62.3231 19.8718 -62.3232 -8.466 -17.73 19.8718 -17.7299 -13.709 GPRESSAVG: 3561200 70.6705 -64.3598 22.9005 -61.2368 -6.94243 -19.0964 19.6199 -16.6473 -14.6388 TIMING: 3561200 CPU: 11360, 0.00399854/step Wall: 11360, 0.00399854/step, 1.59808 hours remaining, 233.570312 MB of memory in use. ENERGY: 3561200 4040.2067 20530.6114 14381.5691 258.5872 -203653.6629 2443.7788 0.0000 0.0000 52084.5077 -109914.4019 299.3304 -161998.9096 -109559.9866 298.6638 -174.7130 -135.9747 759219.8362 16.2765 16.3631 PRESSURE: 3561400 108.389 42.5902 220.129 42.5892 216.576 -52.3252 220.128 -52.324 112.117 GPRESSURE: 3561400 99.855 -66.5009 205.848 -40.4617 332.191 70.3741 198.343 -35.4329 100.336 PRESSAVG: 3561400 -40.7636 -46.3483 56.9373 -46.3482 52.1561 -14.2389 56.9374 -14.2389 -22.6376 GPRESSAVG: 3561400 -40.3262 -44.7157 56.3399 -47.6782 51.3866 -14.0651 55.8951 -14.1074 -22.0186 TIMING: 3561400 CPU: 11360.8, 0.00399542/step Wall: 11360.8, 0.00399542/step, 1.59662 hours remaining, 233.570312 MB of memory in use. ENERGY: 3561400 4027.4736 20415.9936 14417.8692 249.1686 -203656.6760 2538.2857 0.0000 0.0000 52054.6335 -109953.2518 299.1587 -162007.8854 -109581.7801 298.7452 145.6943 177.4605 759599.7230 -3.7484 -3.6527 PRESSURE: 3561600 -385.62 174.304 1.50958 174.304 -81.9777 -37.5285 1.50926 -37.5291 -93.001 GPRESSURE: 3561600 -297.825 110.933 20.3319 164.761 -116.778 -44.3833 39.8887 -38.1287 -61.2129 PRESSAVG: 3561600 -11.1169 -20.2489 5.18516 -20.2489 31.0034 -38.9053 5.18512 -38.9053 6.96195 GPRESSAVG: 3561600 -11.3745 -20.967 2.94991 -20.4891 31.1204 -39.0211 5.57511 -41.3714 6.83139 TIMING: 3561600 CPU: 11361.6, 0.00398442/step Wall: 11361.6, 0.00398442/step, 1.592 hours remaining, 233.570312 MB of memory in use. ENERGY: 3561600 4031.6466 20635.8680 14398.8172 245.8125 -203550.7798 2458.6965 0.0000 0.0000 51657.4059 -110122.5329 296.8758 -161779.9389 -109760.8301 298.2768 -186.8664 -158.6056 759680.9057 8.9495 8.8591 PRESSURE: 3561800 -312.839 -66.8996 -81.5015 -66.8994 115.89 -13.2699 -81.5016 -13.2704 279.949 GPRESSURE: 3561800 -267.159 -92.8433 -41.9694 15.4584 122.474 7.51809 17.0467 17.3929 322.406 PRESSAVG: 3561800 -32.6328 14.0393 -4.80397 14.0393 58.4097 -20.4012 -4.80404 -20.4013 4.30979 GPRESSAVG: 3561800 -31.6473 13.5917 -1.84991 13.177 57.184 -20.1703 -5.28661 -19.0048 4.57297 TIMING: 3561800 CPU: 11362.4, 0.00396933/step Wall: 11362.4, 0.00396933/step, 1.58575 hours remaining, 233.570312 MB of memory in use. ENERGY: 3561800 4037.7788 20515.7005 14425.7423 244.3440 -203808.6122 2834.8323 0.0000 0.0000 51755.0653 -109995.1492 297.4371 -161750.2145 -109639.5717 298.4368 27.6663 59.2404 759959.0320 10.0289 10.0366 PRESSURE: 3562000 38.0704 -113.637 -157.362 -113.637 50.1286 -236.789 -157.362 -236.79 257.669 GPRESSURE: 3562000 111.985 -113.999 -119.752 -2.5651 -29.7253 -191.787 -203.504 -128.851 339.217 PRESSAVG: 3562000 -16.3251 42.3287 -10.473 42.3288 18.477 11.1962 -10.473 11.1961 -3.40203 GPRESSAVG: 3562000 -16.7671 41.6804 -11.6797 44.748 18.9922 12.591 -11.2538 10.961 -3.95615 TIMING: 3562000 CPU: 11363.2, 0.00396564/step Wall: 11363.2, 0.00396564/step, 1.58405 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3562000 3999.0721 20488.8476 14484.5746 233.2978 -203672.4870 2526.7205 0.0000 0.0000 52030.1007 -109909.8737 299.0177 -161939.9744 -109549.6806 298.3790 115.2893 140.4923 759113.4778 -0.4167 -0.5770 PRESSURE: 3562200 -357.582 11.8007 105.368 11.8008 -337.834 -192.469 105.369 -192.469 -339.474 GPRESSURE: 3562200 -341.976 -58.6501 16.3622 -87.827 -291.175 -195.322 165.39 -274.923 -312.555 PRESSAVG: 3562200 -6.77008 -52.6211 23.8396 -52.621 39.4009 -12.5623 23.8396 -12.5624 -2.07519 GPRESSAVG: 3562200 -8.9968 -51.5205 24.549 -52.5211 40.5001 -12.9236 23.4883 -13.1228 -1.26625 TIMING: 3562200 CPU: 11364, 0.0039514/step Wall: 11364, 0.0039514/step, 1.57815 hours remaining, 233.570312 MB of memory in use. ENERGY: 3562200 4030.5091 20549.0652 14530.5320 255.0417 -203542.6927 2377.7846 0.0000 0.0000 51960.2607 -109839.4994 298.6163 -161799.7601 -109482.1309 298.4205 -344.9637 -315.2353 761565.6272 10.1852 10.0790 PRESSURE: 3562400 191.925 -44.6625 452.638 -44.662 -30.0937 35.3764 452.639 35.3767 36.8075 GPRESSURE: 3562400 171.877 67.0013 385.316 -39.1474 82.2079 -9.23797 506.775 69.2106 46.7632 PRESSAVG: 3562400 35.2637 -42.1308 72.7259 -42.1309 -23.774 16.6505 72.7259 16.6505 -8.71676 GPRESSAVG: 3562400 37.3479 -41.4502 71.2576 -41.9048 -25.6499 17.6481 72.7976 18.1398 -8.61272 TIMING: 3562400 CPU: 11364.8, 0.0040015/step Wall: 11364.8, 0.0040015/step, 1.59793 hours remaining, 233.570312 MB of memory in use. ENERGY: 3562400 3947.4899 20538.0042 14451.9529 263.2774 -203627.0609 2621.3652 0.0000 0.0000 51984.7413 -109820.2300 298.7570 -161804.9713 -109460.5065 298.9448 66.2131 100.2826 760846.7313 0.9243 1.0284 PRESSURE: 3562600 -86.2464 -15.5269 30.7972 -15.5278 -40.1647 17.6644 30.7967 17.6647 -334.266 GPRESSURE: 3562600 -48.1143 -133.878 46.2402 -45.7126 -82.0192 -6.42917 172.694 -57.3488 -233.518 PRESSAVG: 3562600 -35.6133 -24.4284 59.8558 -24.4284 1.394 35.2062 59.8558 35.2061 17.3153 GPRESSAVG: 3562600 -35.8863 -27.1998 61.7342 -22.1884 3.05345 32.6179 59.7416 34.4018 16.3712 TIMING: 3562600 CPU: 11365.6, 0.00397978/step Wall: 11365.6, 0.00397978/step, 1.58904 hours remaining, 233.570312 MB of memory in use. ENERGY: 3562600 3985.0158 20535.0511 14565.9621 238.4979 -203728.2257 2488.7509 0.0000 0.0000 52069.6087 -109845.3391 299.2448 -161914.9479 -109490.5056 299.1222 -153.5589 -121.2172 761032.5873 -5.6346 -5.4872 PRESSURE: 3562800 -191.536 147.814 -64.5881 147.815 228.75 32.8259 -64.5888 32.826 -106.729 GPRESSURE: 3562800 -169.374 29.8945 -1.60958 53.9219 258.501 8.05684 -14.8213 -17.1275 -103.347 PRESSAVG: 3562800 10.9548 -26.2137 5.7668 -26.2137 31.2297 -19.7872 5.76673 -19.7873 -23.1867 GPRESSAVG: 3562800 9.98671 -25.8999 5.41668 -30.6326 31.9146 -20.9321 6.47698 -17.784 -22.6215 TIMING: 3562800 CPU: 11366.4, 0.00401477/step Wall: 11366.4, 0.00401477/step, 1.60278 hours remaining, 233.570312 MB of memory in use. ENERGY: 3562800 4082.0289 20376.9250 14502.1147 253.7904 -204217.2138 2911.0702 0.0000 0.0000 52173.6342 -109917.6504 299.8426 -162091.2847 -109550.9449 299.1452 -23.1715 -4.7399 760166.7199 6.3326 6.4266 PRESSURE: 3563000 -176.097 -186.609 335.623 -186.608 -186.385 -45.4876 335.623 -45.4865 -286.245 GPRESSURE: 3563000 -123.832 -119.568 301.868 -150.51 -172.839 -11.5349 261.312 -132.056 -266.961 PRESSAVG: 3563000 -55.214 -61.4312 46.7556 -61.4312 -11.4148 -11.047 46.7555 -11.047 5.12177 GPRESSAVG: 3563000 -54.3521 -62.1719 44.9096 -58.5031 -11.3606 -8.2335 48.079 -14.247 4.16445 TIMING: 3563000 CPU: 11367.2, 0.00403617/step Wall: 11367.2, 0.00403617/step, 1.61111 hours remaining, 233.828125 MB of memory in use. ENERGY: 3563000 3913.1530 20517.7510 14483.4536 224.3841 -203776.4330 2698.5958 0.0000 0.0000 52118.8020 -109820.2935 299.5275 -161939.0955 -109456.3851 298.8720 -216.2424 -187.8773 763197.7086 -20.5023 -20.5161 PRESSURE: 3563200 59.2104 56.5661 171.105 56.5657 8.53538 92.6013 171.105 92.6 278.976 GPRESSURE: 3563200 204.342 76.0223 256.512 56.4836 -12.2384 103.068 106.978 67.5872 246.309 PRESSAVG: 3563200 42.3977 -24.3719 40.5662 -24.372 -32.0771 -52.2633 40.5662 -52.2634 -9.30141 GPRESSAVG: 3563200 43.495 -24.8879 40.9984 -25.5033 -33.7113 -52.2837 38.5264 -50.8777 -8.78803 TIMING: 3563200 CPU: 11368, 0.00399985/step Wall: 11368, 0.00399985/step, 1.59639 hours remaining, 233.828125 MB of memory in use. ENERGY: 3563200 3999.7511 20536.3303 14526.6882 256.3785 -203620.3855 2690.5148 0.0000 0.0000 51905.3086 -109705.4140 298.3005 -161610.7226 -109351.1344 299.3203 115.5739 146.1374 761895.6896 0.3397 0.3319 PRESSURE: 3563400 129.874 -26.5354 27.0704 -26.5352 -264.088 -4.33661 27.0701 -4.33685 130.342 GPRESSURE: 3563400 244.688 -81.6542 19.0504 -78.9162 -254.037 -137.295 92.8377 -73.4448 95.3637 PRESSAVG: 3563400 -26.9238 -41.0466 36.1435 -41.0466 24.6116 -12.7155 36.1434 -12.7157 0.929742 GPRESSAVG: 3563400 -27.0569 -39.2503 36.4977 -40.4152 25.9558 -12.5736 36.3161 -13.0295 -0.498821 TIMING: 3563400 CPU: 11368.8, 0.00400319/step Wall: 11368.8, 0.00400319/step, 1.59749 hours remaining, 233.828125 MB of memory in use. ENERGY: 3563400 3957.3120 20552.9584 14425.5750 241.8954 -203608.0040 2434.8018 0.0000 0.0000 52204.0864 -109791.3750 300.0176 -161995.4615 -109433.3665 299.1922 -1.2907 28.6717 761054.0259 -0.4608 -0.5333 PRESSURE: 3563600 83.2304 -27.4492 -70.856 -27.4494 1.79605 -129.08 -70.8564 -129.079 -473.25 GPRESSURE: 3563600 100.408 1.05659 -22.4888 21.0711 29.8001 -148.333 -127.121 -110.765 -428.306 PRESSAVG: 3563600 12.7426 -9.92947 -5.76735 -9.92946 20.0213 -13.7542 -5.76729 -13.7542 -23.516 GPRESSAVG: 3563600 12.0321 -10.386 -6.03525 -9.63058 19.1436 -14.7408 -5.89123 -11.9517 -21.6851 TIMING: 3563600 CPU: 11369.6, 0.00402827/step Wall: 11369.6, 0.00402827/step, 1.60728 hours remaining, 233.828125 MB of memory in use. ENERGY: 3563600 4075.3869 20536.2623 14454.6390 238.9085 -203589.9416 2544.1472 0.0000 0.0000 52018.4514 -109722.1462 298.9508 -161740.5977 -109370.0661 298.9763 -129.4078 -99.3659 760792.2073 3.0826 3.1635 PRESSURE: 3563800 -468.259 -117.421 83.3438 -117.421 -458.294 -421.3 83.3431 -421.301 -778.174 GPRESSURE: 3563800 -370.761 6.97642 83.0676 -186.836 -470.222 -349.407 170.195 -456.847 -775.22 PRESSAVG: 3563800 -5.50043 -7.61786 -11.1262 -7.61788 -48.61 -24.2642 -11.1262 -24.2642 9.71742 GPRESSAVG: 3563800 -5.55732 -7.83589 -12.4886 -6.18099 -49.1507 -22.9603 -9.17507 -25.0754 9.36122 TIMING: 3563800 CPU: 11370.4, 0.00403482/step Wall: 11370.4, 0.00403482/step, 1.60967 hours remaining, 233.828125 MB of memory in use. ENERGY: 3563800 4098.9919 20512.6332 14475.5999 240.4660 -202945.1691 2124.1341 0.0000 0.0000 52082.0710 -109411.2729 299.3164 -161493.3439 -109049.5989 299.7491 -568.2427 -538.7345 762686.5962 -14.7977 -15.1156 PRESSURE: 3564000 171.23 37.9153 -97.0472 37.9163 102.847 67.168 -97.0476 67.1683 528.975 GPRESSURE: 3564000 196.545 43.2098 -90.113 77.3203 220.226 27.0736 -25.4497 48.616 483.585 PRESSAVG: 3564000 -35.287 -62.5493 -4.12068 -62.5493 -53.3538 70.511 -4.12071 70.511 0.592243 GPRESSAVG: 3564000 -35.6536 -62.1582 -3.20048 -65.1772 -53.4745 68.9846 -5.65292 71.2941 0.478135 TIMING: 3564000 CPU: 11371.2, 0.00403196/step Wall: 11371.2, 0.00403196/step, 1.6083 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3564000 3991.4359 20477.7239 14417.1309 259.6474 -203745.8385 2875.5963 0.0000 0.0000 52160.5575 -109563.7467 299.7674 -161724.3042 -109201.6866 299.3067 267.6841 300.1185 761169.1116 -29.3495 -29.5500 PRESSURE: 3564200 -92.2968 -70.2931 -9.80726 -70.2927 -155.103 -83.7271 -9.80707 -83.726 -241.733 GPRESSURE: 3564200 -20.9975 -83.3085 34.0796 -109.586 -179.672 -98.8717 -101.431 -136.116 -221.537 PRESSAVG: 3564200 21.1637 0.230567 23.9564 0.230602 3.4589 -13.1101 23.9564 -13.11 12.4281 GPRESSAVG: 3564200 22.1224 -1.53826 22.9485 1.08284 3.24711 -12.8669 23.8602 -16.1092 11.2888 TIMING: 3564200 CPU: 11372, 0.00402808/step Wall: 11372, 0.00402808/step, 1.60653 hours remaining, 233.828125 MB of memory in use. ENERGY: 3564200 4002.3568 20456.3388 14434.3602 236.5572 -203203.2402 2390.2458 0.0000 0.0000 52033.9112 -109649.4701 299.0396 -161683.3813 -109280.8670 299.5514 -163.0444 -140.7355 761259.9226 12.3502 12.2194 LDB: ============= START OF LOAD BALANCING ============== 11384.5 LDB: ============== END OF LOAD BALANCING =============== 11384.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11384.5 LDB: ============= START OF LOAD BALANCING ============== 11384.9 LDB: Largest compute 7068 load 0.030380 is 15.7% of average load 0.193223 LDB: Average compute 0.004431 is 2.3% of average load 0.193223 LDB: TIME 11384.9 LOAD: AVG 0.193223 MAX 0.212782 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.824 MB LDB: TIME 11384.9 LOAD: AVG 0.193223 MAX 0.212782 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: TIME 11384.9 LOAD: AVG 0.193223 MAX 0.212782 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: ============== END OF LOAD BALANCING =============== 11384.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11384.9 PRESSURE: 3564400 -109.595 112.769 28.6889 112.769 -273.527 -88.0001 28.6896 -88.0001 77.475 GPRESSURE: 3564400 -88.2954 42.0467 -61.47 101.091 -257.115 -183.861 24.7954 -14.8565 101.257 PRESSAVG: 3564400 38.6804 -18.4376 13.7966 -18.4376 -47.4199 -10.3988 13.7966 -10.3987 8.20128 GPRESSAVG: 3564400 38.3056 -17.2157 15.6658 -17.9031 -47.9324 -9.00856 12.807 -9.23468 9.38822 TIMING: 3564400 CPU: 11372.8, 0.00407002/step Wall: 11372.8, 0.00407002/step, 1.62303 hours remaining, 234.011719 MB of memory in use. ENERGY: 3564400 4001.5809 20370.8793 14531.9170 232.7576 -202948.8134 2225.8709 0.0000 0.0000 51862.1744 -109723.6332 298.0526 -161585.8076 -109363.0202 299.2092 -101.8822 -81.3847 760432.5619 -0.1794 -0.0795 PRESSURE: 3564600 -176.688 131.077 182.828 131.077 -207.519 8.61231 182.829 8.61258 -122.854 GPRESSURE: 3564600 -128.626 50.3675 236.628 120.112 -193.527 -41.4492 59.7649 143.658 -101.082 PRESSAVG: 3564600 26.0531 11.8829 6.61975 11.883 -2.58709 -13.1895 6.61982 -13.1895 -12.4207 GPRESSAVG: 3564600 25.8078 11.3021 5.2056 11.513 -2.85031 -13.0961 10.2884 -13.0725 -11.9144 TIMING: 3564600 CPU: 11373.6, 0.00400291/step Wall: 11373.6, 0.00400291/step, 1.59605 hours remaining, 234.210938 MB of memory in use. ENERGY: 3564600 3951.2618 20542.1558 14435.9717 252.4412 -203226.8419 2272.7606 0.0000 0.0000 52125.4784 -109646.7723 299.5658 -161772.2508 -109277.5383 299.4908 -169.0202 -141.0784 759960.4210 3.6817 3.6810 PRESSURE: 3564800 -495.44 -41.8775 144.337 -41.8769 -108.657 270.902 144.338 270.904 -215.358 GPRESSURE: 3564800 -432.403 33.6444 197.418 87.3848 -55.7466 208.066 47.2107 142.601 -257.669 PRESSAVG: 3564800 8.28005 -6.57357 1.46794 -6.57355 -12.1172 4.05457 1.46795 4.05469 17.4375 GPRESSAVG: 3564800 9.83495 -5.87361 3.84563 -5.52326 -11.9415 3.60462 -1.16383 4.06842 15.7186 TIMING: 3564800 CPU: 11374.4, 0.00400139/step Wall: 11374.4, 0.00400139/step, 1.59522 hours remaining, 234.210938 MB of memory in use. ENERGY: 3564800 3950.3219 20337.1816 14537.4968 243.5222 -202963.7818 1950.6655 0.0000 0.0000 52148.7528 -109795.8409 299.6996 -161944.5937 -109422.7473 298.6912 -273.1519 -248.6060 761442.6824 4.5334 4.5374 PRESSURE: 3565000 168.57 129.56 -180.046 129.56 231.122 50.1421 -180.047 50.1425 45.9104 GPRESSURE: 3565000 168.349 158.932 -155.56 184.799 291.471 122.489 -154.811 -64.9086 69.7258 PRESSAVG: 3565000 -45.6277 -21.7382 -1.13937 -21.7382 11.7772 -1.42865 -1.1394 -1.42867 -13.9278 GPRESSAVG: 3565000 -47.2677 -22.3345 -1.71827 -21.7355 11.7692 -0.752123 -1.80018 -1.05328 -12.3073 TIMING: 3565000 CPU: 11375.2, 0.00403976/step Wall: 11375.2, 0.00403976/step, 1.61029 hours remaining, 234.210938 MB of memory in use. ENERGY: 3565000 4045.7645 20506.8614 14468.7588 264.9181 -203562.3919 2639.3627 0.0000 0.0000 51817.3430 -109819.3834 297.7950 -161636.7264 -109454.2340 298.6270 148.5343 176.5150 759310.1811 -15.9261 -15.9353 PRESSURE: 3565200 -156.812 3.77879 283.385 3.77896 -238.357 103.233 283.385 103.234 -390.538 GPRESSURE: 3565200 -164.271 -71.5278 256.59 -16.0942 -194.687 61.1255 201.686 32.7033 -342.448 PRESSAVG: 3565200 33.9572 -55.0237 -20.2682 -55.0237 -25.0186 5.83089 -20.2682 5.83082 33.2639 GPRESSAVG: 3565200 33.1501 -56.6223 -20.9648 -53.3747 -24.1661 5.07549 -19.6632 5.55134 32.481 TIMING: 3565200 CPU: 11376, 0.00401369/step Wall: 11376, 0.00401369/step, 1.59968 hours remaining, 234.210938 MB of memory in use. ENERGY: 3565200 4072.5755 20539.5407 14530.3524 236.2849 -203464.3336 2440.3696 0.0000 0.0000 51703.5457 -109941.6647 297.1410 -161645.2105 -109577.3991 298.5832 -261.9024 -233.8020 760342.8788 14.0675 13.8217 PRESSURE: 3565400 185.44 -206.969 103.81 -206.969 -27.7444 -14.542 103.81 -14.5421 -502.104 GPRESSURE: 3565400 243.892 -226.174 134.958 -21.2571 1.78184 -151.276 70.4467 67.155 -517.717 PRESSAVG: 3565400 30.5143 -45.3587 -28.4358 -45.3587 -10.4684 16.6985 -28.4359 16.6984 13.4736 GPRESSAVG: 3565400 31.545 -42.5045 -27.9065 -47.8238 -12.056 16.2902 -29.7753 17.1471 13.9623 TIMING: 3565400 CPU: 11376.9, 0.00400892/step Wall: 11376.9, 0.00400892/step, 1.59756 hours remaining, 234.210938 MB of memory in use. ENERGY: 3565400 3891.6485 20493.9844 14546.3790 255.5939 -203488.0784 2497.6838 0.0000 0.0000 51884.2810 -109918.5078 298.1797 -161802.7888 -109557.0409 298.8139 -114.8026 -90.6811 759981.7226 11.1731 11.1504 PRESSURE: 3565600 50.779 -102.386 -152.625 -102.386 267.904 151.571 -152.625 151.572 -80.3242 GPRESSURE: 3565600 96.9322 -173.052 -144.225 -91.1162 193.807 257.727 -94.951 155.319 39.5572 PRESSAVG: 3565600 -17.8957 -87.2566 11.6423 -87.2566 12.5402 -17.7154 11.6424 -17.7154 12.9097 GPRESSAVG: 3565600 -18.2594 -87.9009 12.6751 -88.3869 12.6014 -15.5609 11.3096 -17.0548 13.1239 TIMING: 3565600 CPU: 11377.7, 0.00400596/step Wall: 11377.7, 0.00400596/step, 1.59615 hours remaining, 234.210938 MB of memory in use. ENERGY: 3565600 3995.4077 20407.8612 14533.8356 254.7432 -203332.4521 2711.3473 0.0000 0.0000 51868.1511 -109561.1060 298.0870 -161429.2572 -109204.7764 298.5463 79.4528 110.0987 760410.8696 2.5181 2.4887 PRESSURE: 3565800 85.4151 -97.4999 51.8758 -97.5002 37.4802 -282.865 51.8755 -282.865 -211.951 GPRESSURE: 3565800 141.997 -112.626 3.35469 -222.701 32.1838 -300.249 87.8653 -149.821 -169.231 PRESSAVG: 3565800 27.6076 -27.6336 30.8643 -27.6337 -65.838 -6.40805 30.8643 -6.4081 -15.6514 GPRESSAVG: 3565800 28.4057 -28.0082 29.0724 -28.6227 -65.4409 -7.54587 32.4808 -7.32254 -16.3169 TIMING: 3565800 CPU: 11378.5, 0.00399419/step Wall: 11378.5, 0.00399419/step, 1.59124 hours remaining, 234.210938 MB of memory in use. ENERGY: 3565800 3970.6269 20510.2458 14528.7843 241.6786 -203227.1570 2566.6866 0.0000 0.0000 51969.3778 -109439.7569 298.6687 -161409.1348 -109075.4566 299.2822 -29.6853 1.6500 762222.1542 -17.9606 -17.7840 PRESSURE: 3566000 361.44 -139.212 332.534 -139.212 -69.8944 46.0574 332.534 46.0578 -99.8764 GPRESSURE: 3566000 395.119 -142.478 254.666 -111.514 -22.7094 67.6335 227.374 161.906 -83.6116 PRESSAVG: 3566000 58.869 -40.7267 47.0283 -40.7266 -27.8314 34.59 47.0283 34.59 -0.960466 GPRESSAVG: 3566000 58.4022 -39.1565 45.7917 -40.366 -27.0807 34.0652 46.9462 35.827 -0.966927 TIMING: 3566000 CPU: 11379.3, 0.00400794/step Wall: 11379.3, 0.00400794/step, 1.5965 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3566000 3904.5738 20395.5676 14454.5478 249.8661 -203269.4002 2552.7210 0.0000 0.0000 52140.6413 -109571.4826 299.6530 -161712.1238 -109199.8926 298.7163 63.8898 96.2659 761675.0569 10.0257 10.1182 PRESSURE: 3566200 72.8741 -90.044 6.11953 -90.044 152.307 15.789 6.11944 15.7882 212.984 GPRESSURE: 3566200 150.189 -117.417 -10.4493 -113.841 160.287 57.99 36.8513 72.4864 201.834 PRESSAVG: 3566200 28.6131 -70.4613 -2.94305 -70.4613 -23.7287 18.0626 -2.94309 18.0624 -0.316459 GPRESSAVG: 3566200 28.7555 -71.8787 -0.801433 -69.2974 -24.2853 18.9135 -3.47891 16.773 0.0352685 TIMING: 3566200 CPU: 11380.1, 0.00403297/step Wall: 11380.1, 0.00403297/step, 1.60624 hours remaining, 234.210938 MB of memory in use. ENERGY: 3566200 3964.4595 20462.9697 14462.9915 258.9035 -203008.7926 2465.3397 0.0000 0.0000 51733.9432 -109660.1854 297.3157 -161394.1287 -109300.5917 298.6998 146.0551 170.7700 761444.6642 1.5226 1.5018 PRESSURE: 3566400 129.755 -264.951 254.217 -264.952 -131.312 -67.3791 254.217 -67.3784 43.432 GPRESSURE: 3566400 176.639 -242.932 266.39 -264.691 -76.7338 12.4262 165.979 -106.852 32.292 PRESSAVG: 3566400 8.78521 -21.39 36.9847 -21.3901 13.1495 47.6747 36.9847 47.6748 -0.832434 GPRESSAVG: 3566400 7.81925 -21.345 36.3758 -20.9417 13.3245 47.2088 38.8118 47.0194 -0.38058 TIMING: 3566400 CPU: 11380.9, 0.00405631/step Wall: 11380.9, 0.00405631/step, 1.61531 hours remaining, 234.210938 MB of memory in use. ENERGY: 3566400 3963.7764 20552.8361 14542.1416 249.8316 -203002.1621 2367.3383 0.0000 0.0000 51850.6719 -109475.5663 297.9865 -161326.2382 -109118.8178 298.6212 13.9585 44.0657 761988.9429 7.0341 6.9211 PRESSURE: 3566600 342.109 -1.09204 -46.0116 -1.09191 142.478 136.005 -46.012 136.004 -165.337 GPRESSURE: 3566600 319.87 44.9742 8.06045 -47.7951 211.553 26.7713 -32.984 159.043 -134.731 PRESSAVG: 3566600 -12.9995 -24.5293 39.5687 -24.5293 18.0925 28.8956 39.5687 28.8957 1.48369 GPRESSAVG: 3566600 -13.6564 -23.6671 40.4966 -25.0868 18.5952 28.6277 38.0518 31.4676 1.36362 TIMING: 3566600 CPU: 11381.7, 0.00401664/step Wall: 11381.7, 0.00401664/step, 1.59929 hours remaining, 234.210938 MB of memory in use. ENERGY: 3566600 3950.6862 20598.8877 14426.1630 243.7672 -203271.8628 2685.9231 0.0000 0.0000 52009.1304 -109357.3052 298.8972 -161366.4356 -108993.6325 298.7289 106.4165 132.2310 763531.0282 2.1922 2.1008 PRESSURE: 3566800 40.0555 10.5552 -14.419 10.5553 -246.082 6.32833 -14.4187 6.32818 -149.881 GPRESSURE: 3566800 159.17 34.7384 74.4596 40.7855 -238.669 -4.57005 -66.7032 -67.5665 -178.899 PRESSAVG: 3566800 -29.1862 16.0414 2.76065 16.0414 26.8115 13.6658 2.76066 13.6658 1.50919 GPRESSAVG: 3566800 -27.3151 15.4504 2.96716 16.1561 25.6207 12.8564 3.86236 13.0834 0.221442 TIMING: 3566800 CPU: 11382.5, 0.00402377/step Wall: 11382.5, 0.00402377/step, 1.60191 hours remaining, 234.210938 MB of memory in use. ENERGY: 3566800 3981.9272 20415.9539 14527.1589 251.4729 -202964.5786 2402.0672 0.0000 0.0000 52261.6147 -109124.3836 300.3482 -161385.9984 -108754.4987 299.6788 -118.6357 -86.1325 761961.6832 -0.2885 -0.4910 PRESSURE: 3567000 114.376 -78.1154 116.372 -78.1163 263.337 5.07953 116.372 5.08153 157.661 GPRESSURE: 3567000 184.914 -42.9948 126.87 45.0693 267.2 96.6838 171.127 20.9377 170.904 PRESSAVG: 3567000 6.69093 -1.01827 -4.12601 -1.01827 -10.7902 1.25403 -4.126 1.25409 -7.66446 GPRESSAVG: 3567000 6.33733 -1.73206 -4.00777 -0.390725 -10.3327 2.03293 -4.18638 0.979604 -7.32377 TIMING: 3567000 CPU: 11383.3, 0.00402149/step Wall: 11383.3, 0.00402149/step, 1.60078 hours remaining, 234.210938 MB of memory in use. ENERGY: 3567000 4007.2400 20500.5461 14486.7290 237.6211 -202953.3659 2401.8057 0.0000 0.0000 52554.5521 -108764.8718 302.0317 -161319.4239 -108393.9126 300.5899 178.4582 207.6725 762501.6126 -3.9213 -3.7731 PRESSURE: 3567200 -170.192 -117.057 254.252 -117.056 -279.421 27.5339 254.252 27.5342 415.13 GPRESSURE: 3567200 -185.043 -254.946 211.912 84.6866 -168.074 81.2329 248.997 -18.7531 405.502 PRESSAVG: 3567200 21.1778 11.5375 -28.4914 11.5375 -22.2396 12.3846 -28.4914 12.3846 38.2167 GPRESSAVG: 3567200 21.6288 11.5076 -29.8512 12.1344 -23.0074 13.0332 -28.4418 13.8496 38.6084 TIMING: 3567200 CPU: 11384.1, 0.00400835/step Wall: 11384.1, 0.00400835/step, 1.59532 hours remaining, 234.210938 MB of memory in use. ENERGY: 3567200 4013.1776 20530.7836 14530.2525 261.1187 -202580.4892 2150.2791 0.0000 0.0000 52179.8639 -108915.0138 299.8784 -161094.8777 -108545.1773 300.8352 -11.4942 17.4615 762171.1114 12.3850 12.4099 PRESSURE: 3567400 340.835 -92.5453 -33.6084 -92.546 144.747 -84.015 -33.6082 -84.0154 -158.905 GPRESSURE: 3567400 331.298 -146.369 22.0932 -91.0739 246.02 -82.2672 -100.995 -79.3438 -143.598 PRESSAVG: 3567400 -1.48068 12.7086 -44.7026 12.7087 42.7074 -17.9608 -44.7026 -17.9608 -3.77785 GPRESSAVG: 3567400 -2.48157 13.9589 -43.3012 10.5445 43.6791 -19.4097 -47.568 -20.3671 -3.18446 TIMING: 3567400 CPU: 11384.9, 0.00402583/step Wall: 11384.9, 0.00402583/step, 1.60206 hours remaining, 234.210938 MB of memory in use. ENERGY: 3567400 4006.8563 20514.8483 14479.0629 239.3386 -203439.6390 2794.6012 0.0000 0.0000 52527.6494 -108877.2821 301.8771 -161404.9316 -108509.4646 300.6645 108.8924 144.5732 760322.4035 12.4830 12.6710 PRESSURE: 3567600 -486.57 -1.56667 187.202 -1.56614 -201.23 92.0773 187.202 92.0789 -37.5921 GPRESSURE: 3567600 -445.014 4.62217 135.697 -120.905 -252.576 91.136 162.238 139.522 53.9214 PRESSAVG: 3567600 0.349079 -12.0281 -30.3336 -12.028 46.377 -31.2212 -30.3336 -31.2211 -18.8859 GPRESSAVG: 3567600 1.34154 -12.3163 -31.1678 -11.2036 45.6369 -31.5013 -28.5944 -29.5478 -19.2159 TIMING: 3567600 CPU: 11385.7, 0.00401016/step Wall: 11385.7, 0.00401016/step, 1.5956 hours remaining, 234.210938 MB of memory in use. ENERGY: 3567600 4025.0301 20512.3733 14536.0494 240.1451 -202900.9554 2225.7485 0.0000 0.0000 52195.7326 -109165.8765 299.9696 -161361.6091 -108802.3670 300.3743 -241.7973 -214.5562 759701.3916 9.2801 9.2542 PRESSURE: 3567800 72.157 92.8264 -151.036 92.8274 163.466 241.425 -151.036 241.426 311.482 GPRESSURE: 3567800 92.987 64.0976 -237.579 177.841 176.999 298.056 -164.05 157.01 346.447 PRESSAVG: 3567800 37.4783 -34.655 14.7702 -34.655 -28.0358 -20.4502 14.7702 -20.4501 20.0777 GPRESSAVG: 3567800 38.3494 -34.4344 15.2188 -34.8895 -27.8813 -18.5015 14.9349 -21.322 18.9766 TIMING: 3567800 CPU: 11386.5, 0.00400551/step Wall: 11386.5, 0.00400551/step, 1.59353 hours remaining, 234.210938 MB of memory in use. ENERGY: 3567800 3989.6843 20417.5615 14538.6331 244.7946 -203217.3916 2464.6118 0.0000 0.0000 52286.6435 -109275.4628 300.4921 -161562.1063 -108911.1975 300.3030 182.3684 205.4776 759336.3371 9.8401 9.8149 PRESSURE: 3568000 -55.2519 -27.1393 7.41684 -27.1405 -137.006 23.7535 7.41728 23.7531 408.275 GPRESSURE: 3568000 33.9941 -69.9264 26.3637 51.4335 -155.385 45.1717 -37.6122 -47.1423 408.299 PRESSAVG: 3568000 71.4851 5.58792 38.9385 5.58794 -43.3881 54.6625 38.9385 54.6625 7.84515 GPRESSAVG: 3568000 70.0113 3.8776 38.2405 3.65703 -42.7628 54.15 37.9184 55.098 7.8048 TIMING: 3568000 CPU: 11387.3, 0.00399283/step Wall: 11387.3, 0.00399283/step, 1.58826 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3568000 3959.0603 20452.5499 14515.1132 257.2465 -203111.1225 2383.1528 0.0000 0.0000 52556.4097 -108987.5901 302.0424 -161543.9999 -108616.4375 300.3361 72.0056 95.6360 761108.7178 11.9807 11.6844 PRESSURE: 3568200 411.49 20.301 91.1502 20.3001 89.5176 -54.1367 91.1494 -54.1366 269.689 GPRESSURE: 3568200 462.338 13.0244 130.084 -60.038 129.037 31.8697 -27.9065 -95.0642 251.33 PRESSAVG: 3568200 63.2805 41.4253 -25.9207 41.4253 -21.2672 -7.23996 -25.9208 -7.23995 -12.5658 GPRESSAVG: 3568200 63.3972 44.0321 -25.008 42.7917 -21.1517 -7.13923 -23.8745 -8.50322 -11.9824 TIMING: 3568200 CPU: 11388.1, 0.00402538/step Wall: 11388.1, 0.00402538/step, 1.60098 hours remaining, 234.210938 MB of memory in use. ENERGY: 3568200 4031.3160 20629.8559 14462.4781 253.6566 -203570.7773 2757.7853 0.0000 0.0000 52358.9072 -109076.7783 300.9074 -161435.6855 -108708.2223 300.8129 256.8990 280.9017 759577.5202 9.8158 10.0877 LDB: ============= START OF LOAD BALANCING ============== 11400.6 LDB: ============== END OF LOAD BALANCING =============== 11400.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11400.6 LDB: ============= START OF LOAD BALANCING ============== 11401 LDB: Largest compute 7075 load 0.032071 is 16.6% of average load 0.193307 LDB: Average compute 0.004449 is 2.3% of average load 0.193307 LDB: TIME 11401 LOAD: AVG 0.193307 MAX 0.212459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.91 MB LDB: TIME 11401 LOAD: AVG 0.193307 MAX 0.212459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: TIME 11401 LOAD: AVG 0.193307 MAX 0.212459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: ============== END OF LOAD BALANCING =============== 11401 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11401 PRESSURE: 3568400 337.729 18.7012 126.508 18.7012 -378.063 -38.6794 126.508 -38.6791 -20.4068 GPRESSURE: 3568400 284.221 -45.0138 131.028 -63.9309 -256.874 -67.7806 44.2001 13.5754 -34.2204 PRESSAVG: 3568400 32.4186 4.69591 -5.32373 4.69593 -55.0073 3.17501 -5.32377 3.17494 9.62757 GPRESSAVG: 3568400 31.3815 3.08748 -6.05968 3.60369 -54.5285 3.21266 -6.28872 3.89988 10.2778 TIMING: 3568400 CPU: 11388.9, 0.00406219/step Wall: 11388.9, 0.00406219/step, 1.6154 hours remaining, 235.867188 MB of memory in use. ENERGY: 3568400 4028.5596 20574.8880 14524.4607 269.8753 -203096.8129 2304.6102 0.0000 0.0000 52393.5928 -109000.8263 301.1067 -161394.4191 -108633.0610 300.3868 -20.2471 -2.2911 760314.1110 -4.3204 -4.2897 PRESSURE: 3568600 -41.5974 103.304 29.9536 103.304 -34.8887 92.1996 29.9534 92.1999 -35.1118 GPRESSURE: 3568600 7.50768 157.261 68.9887 45.8962 33.1412 143.501 102.881 -45.5101 -37.2944 PRESSAVG: 3568600 56.9182 -25.7225 10.4783 -25.7225 -58.3438 -33.5481 10.4782 -33.5481 -1.42952 GPRESSAVG: 3568600 57.3693 -25.9599 10.7006 -24.8506 -59.1091 -33.404 9.13874 -32.1547 -1.34716 TIMING: 3568600 CPU: 11389.7, 0.00401779/step Wall: 11389.7, 0.00401779/step, 1.59752 hours remaining, 236.070312 MB of memory in use. ENERGY: 3568600 4006.0390 20507.1183 14543.5151 250.8567 -203784.3243 2842.9423 0.0000 0.0000 52290.8419 -109343.0110 300.5162 -161633.8529 -108979.6121 299.9803 -37.1993 1.1182 760375.5324 -0.9517 -1.0290 PRESSURE: 3568800 -486.029 -150.561 -202.383 -150.562 -5.2156 62.1775 -202.383 62.1781 -700.24 GPRESSURE: 3568800 -465.77 -191.706 -227.809 -139.079 91.5613 155.872 -159.946 26.7856 -727.074 PRESSAVG: 3568800 -4.08436 -25.5678 9.81109 -25.5678 -10.9681 46.4618 9.81114 46.4618 -0.95631 GPRESSAVG: 3568800 -3.42708 -25.1588 9.73058 -27.7525 -10.0229 44.5303 10.6932 44.9758 -2.50344 TIMING: 3568800 CPU: 11390.5, 0.00400784/step Wall: 11390.5, 0.00400784/step, 1.59334 hours remaining, 236.070312 MB of memory in use. ENERGY: 3568800 4070.3541 20500.4673 14507.5577 254.9276 -202956.1628 2149.4470 0.0000 0.0000 52037.9243 -109435.4849 299.0627 -161473.4092 -109076.7361 299.9369 -397.1617 -367.0942 760959.0269 -5.3363 -5.3178 PRESSURE: 3569000 -47.8823 28.3051 163.425 28.3048 91.3112 -166.752 163.424 -166.752 245.385 GPRESSURE: 3569000 -37.9348 100.121 161.789 46.8809 128.07 -125.962 10.7183 60.7817 283.355 PRESSAVG: 3569000 17.8842 -61.3472 -12.1317 -61.3471 31.4981 -23.2396 -12.1316 -23.2397 2.73346 GPRESSAVG: 3569000 17.3418 -61.9828 -10.6547 -59.2698 31.0337 -21.3547 -12.6527 -21.3675 3.18149 TIMING: 3569000 CPU: 11391.3, 0.00399668/step Wall: 11391.3, 0.00399668/step, 1.58868 hours remaining, 236.070312 MB of memory in use. ENERGY: 3569000 3975.4182 20457.5400 14464.8065 242.2670 -203109.3547 2598.2146 0.0000 0.0000 51924.6787 -109446.4297 298.4118 -161371.1084 -109089.5444 299.5532 96.2713 124.4967 761914.3009 17.3719 17.1857 PRESSURE: 3569200 -157.693 -191.306 149.28 -191.306 22.288 69.141 149.28 69.1415 39.0778 GPRESSURE: 3569200 -44.1977 -220.326 177.458 -239.079 -15.5694 -35.5725 50.5226 96.7896 46.793 PRESSAVG: 3569200 29.9999 -30.3416 -9.73157 -30.3416 31.2547 24.2989 -9.73159 24.299 -34.665 GPRESSAVG: 3569200 31.3779 -28.8049 -12.1746 -29.2464 29.6694 23.0922 -8.81394 23.9718 -34.8848 TIMING: 3569200 CPU: 11392.1, 0.0040211/step Wall: 11392.1, 0.0040211/step, 1.59816 hours remaining, 236.191406 MB of memory in use. ENERGY: 3569200 3901.9543 20590.1197 14524.1720 262.7477 -203108.8978 2201.0958 0.0000 0.0000 52033.5830 -109595.2253 299.0377 -161628.8083 -109246.3188 299.0185 -32.1091 -4.3247 759746.8149 8.8632 8.7208 PRESSURE: 3569400 -403.573 -54.309 -303.226 -54.3088 -191.998 42.7609 -303.227 42.7604 -394.694 GPRESSURE: 3569400 -395.635 1.39691 -190.309 -75.2495 -153.527 84.4786 -218.888 -101.245 -370.77 PRESSAVG: 3569400 33.2876 6.21331 44.0143 6.21325 -14.9 -19.5597 44.0142 -19.5597 -10.5261 GPRESSAVG: 3569400 32.2862 3.54949 45.6652 5.82745 -14.7958 -17.0043 42.6405 -22.5868 -9.76585 TIMING: 3569400 CPU: 11392.9, 0.00402655/step Wall: 11392.9, 0.00402655/step, 1.60011 hours remaining, 236.191406 MB of memory in use. ENERGY: 3569400 3957.5327 20564.8193 14487.7011 241.6101 -202793.5878 1927.9169 0.0000 0.0000 52039.7701 -109574.2377 299.0733 -161614.0077 -109204.1687 298.9812 -330.0883 -306.6439 760782.2742 2.6205 2.5748 PRESSURE: 3569600 120.551 107.279 -67.7351 107.279 -286.963 38.9822 -67.7356 38.9819 263.573 GPRESSURE: 3569600 217.189 236.564 -67.311 83.1169 -291.353 56.3366 -31.0814 32.0314 230.813 PRESSAVG: 3569600 -14.459 -46.1621 -17.7379 -46.1621 23.9244 -7.88342 -17.7379 -7.88345 20.068 GPRESSAVG: 3569600 -14.6217 -45.0442 -17.0218 -45.1439 25.3969 -10.0634 -17.6101 -3.98291 18.6134 TIMING: 3569600 CPU: 11393.7, 0.00402068/step Wall: 11393.7, 0.00402068/step, 1.59755 hours remaining, 236.191406 MB of memory in use. ENERGY: 3569600 3959.8902 20587.0869 14533.5058 233.9508 -203406.4553 2332.4810 0.0000 0.0000 52174.4555 -109585.0852 299.8473 -161759.5407 -109220.6260 299.1272 32.3872 52.2162 760123.9768 9.8445 9.7962 PRESSURE: 3569800 36.2833 -22.164 91.5218 -22.1633 -215.387 83.078 91.5213 83.0773 170.451 GPRESSURE: 3569800 1.8701 -15.1815 136.365 -33.3951 -111.46 -49.227 18.367 220.359 198.393 PRESSAVG: 3569800 35.7542 -47.4803 -25.0684 -47.4803 -35.2495 5.11379 -25.0684 5.11384 -12.9611 GPRESSAVG: 3569800 34.1751 -45.0616 -26.2319 -48.9155 -35.1869 5.83725 -23.9254 4.83704 -10.6944 TIMING: 3569800 CPU: 11394.5, 0.00401642/step Wall: 11394.5, 0.00401642/step, 1.59564 hours remaining, 236.277344 MB of memory in use. ENERGY: 3569800 3961.4720 20535.9295 14443.9474 255.6368 -203144.5488 2464.9141 0.0000 0.0000 51913.2600 -109569.3889 298.3462 -161482.6489 -109205.4163 299.5288 -2.8842 29.6009 760759.9969 -4.1521 -3.9021 PRESSURE: 3570000 -118.141 -36.9983 -62.5043 -36.9986 132.394 -205.757 -62.5043 -205.757 157.394 GPRESSURE: 3570000 -47.2547 -25.1981 -7.76854 -108.593 160.935 -191.128 -33.2787 -270.801 128.088 PRESSAVG: 3570000 -43.3742 -46.8893 -25.1816 -46.8894 0.159329 -13.1247 -25.1816 -13.1248 -24.5236 GPRESSAVG: 3570000 -41.296 -49.929 -24.2097 -46.3066 -0.466694 -12.705 -25.2171 -15.1933 -25.3444 TIMING: 3570000 CPU: 11395.3, 0.0040134/step Wall: 11395.3, 0.0040134/step, 1.59421 hours remaining, 236.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3570000 3965.8241 20639.4459 14439.3320 241.6430 -203431.8075 2711.7667 0.0000 0.0000 52025.4488 -109408.3469 298.9910 -161433.7957 -109047.5617 299.2394 57.2157 80.5892 761228.4590 -22.5795 -22.3691 PRESSURE: 3570200 -259.255 7.28045 -16.9424 7.28045 114.273 -206.415 -16.9421 -206.415 -126.973 GPRESSURE: 3570200 -188.928 74.1464 16.5367 51.3034 81.9334 -180.223 -163.482 -166.736 -82.1591 PRESSAVG: 3570200 -26.9292 -38.761 10.2898 -38.761 3.16806 -16.4668 10.2898 -16.4668 4.44173 GPRESSAVG: 3570200 -26.599 -38.5486 8.15035 -39.5156 2.69317 -17.5182 8.43664 -14.2599 4.33807 TIMING: 3570200 CPU: 11396.1, 0.00404259/step Wall: 11396.1, 0.00404259/step, 1.60558 hours remaining, 236.277344 MB of memory in use. ENERGY: 3570200 3965.8921 20531.2827 14491.8827 261.8130 -202905.4530 2292.4763 0.0000 0.0000 52115.9417 -109246.1646 299.5110 -161362.1063 -108888.8423 299.8954 -90.6519 -63.0511 760335.2414 -6.4398 -6.5226 PRESSURE: 3570400 273.98 69.3045 126.456 69.305 79.0176 99.042 126.456 99.0414 -113.565 GPRESSURE: 3570400 309.154 -47.496 162.875 -108.787 98.9371 38.4885 95.6346 95.061 -96.583 PRESSAVG: 3570400 -5.39675 -41.7953 -41.832 -41.7953 24.8354 7.36308 -41.8321 7.36323 -15.2084 GPRESSAVG: 3570400 -5.90121 -42.5666 -40.4222 -41.7656 25.1657 8.39375 -38.8877 5.90408 -15.2221 TIMING: 3570400 CPU: 11396.9, 0.0040393/step Wall: 11396.9, 0.0040393/step, 1.60405 hours remaining, 236.277344 MB of memory in use. ENERGY: 3570400 3989.0283 20573.4647 14541.9872 245.6025 -203015.6365 2188.7676 0.0000 0.0000 52193.1704 -109283.6157 299.9549 -161476.7861 -108917.9244 299.7177 79.8109 103.8361 762243.8793 1.4101 1.3474 PRESSURE: 3570600 -113.376 -50.9264 42.6305 -50.9259 -415.671 -263.215 42.6304 -263.216 -275.321 GPRESSURE: 3570600 -44.43 -126.163 68.1515 -72.9689 -382.954 -322.318 18.8906 -231.583 -273.973 PRESSAVG: 3570600 -29.3723 -5.22698 -23.11 -5.22701 16.4497 -4.13351 -23.11 -4.13348 -9.16976 GPRESSAVG: 3570600 -30.1856 -4.39812 -24.8764 -3.95039 16.9152 -4.89013 -24.1906 -3.50989 -8.97773 TIMING: 3570600 CPU: 11397.7, 0.00400415/step Wall: 11397.7, 0.00400415/step, 1.58987 hours remaining, 236.277344 MB of memory in use. ENERGY: 3570600 4016.5082 20563.5812 14521.3177 242.5934 -203096.4404 2056.8923 0.0000 0.0000 52162.0844 -109533.4632 299.7762 -161695.5476 -109173.0706 299.4488 -268.1226 -233.7858 760980.4933 -7.3641 -7.4160 PRESSURE: 3570800 180.61 3.23726 38.2023 3.23589 -69.5171 -114.09 38.2032 -114.09 -11.7895 GPRESSURE: 3570800 163.422 -91.9941 30.9832 100.603 -19.3609 -221.485 27.3795 -113.509 32.0773 PRESSAVG: 3570800 -4.86992 -9.09282 26.3072 -9.0929 -5.06305 -2.71922 26.3072 -2.71923 -16.3439 GPRESSAVG: 3570800 -4.53769 -9.28857 27.8353 -9.8854 -5.10593 -2.95862 26.3635 -4.67122 -16.1765 TIMING: 3570800 CPU: 11398.6, 0.00401851/step Wall: 11398.6, 0.00401851/step, 1.59535 hours remaining, 236.277344 MB of memory in use. ENERGY: 3570800 3972.2923 20543.1499 14522.9108 236.5040 -203283.3886 2536.6450 0.0000 0.0000 51958.9902 -109512.8963 298.6090 -161471.8865 -109146.5363 299.1166 33.1011 58.7127 763063.6341 -8.7590 -8.6067 PRESSURE: 3571000 -387.755 -159.62 -530.735 -159.621 138.719 -256.769 -530.735 -256.768 7.00382 GPRESSURE: 3571000 -323.354 -124.545 -539.807 -43.2229 142.337 -233.328 -590.372 -324.147 32.9448 PRESSAVG: 3571000 -10.3681 -42.2079 -16.6576 -42.2078 12.6544 10.7571 -16.6576 10.7571 16.2958 GPRESSAVG: 3571000 -10.0688 -42.4253 -16.3564 -41.9394 11.4653 10.3852 -18.642 14.4189 16.9693 TIMING: 3571000 CPU: 11399.4, 0.00400664/step Wall: 11399.4, 0.00400664/step, 1.59041 hours remaining, 236.277344 MB of memory in use. ENERGY: 3571000 3952.0472 20553.8717 14538.5923 257.4145 -203482.3013 2315.7627 0.0000 0.0000 52296.9593 -109567.6534 300.5513 -161864.6128 -109202.8140 299.1159 -80.6776 -49.3576 761837.4837 6.1941 6.1220 PRESSURE: 3571200 -67.7434 -139.454 205.389 -139.455 98.5417 39.7254 205.389 39.7248 -174.294 GPRESSURE: 3571200 -12.4131 -188.405 142.678 -114.679 128.151 102.135 173.301 -73.6342 -157.438 PRESSAVG: 3571200 -51.5389 -28.2659 -6.30424 -28.2659 50.8713 -53.3772 -6.30416 -53.3772 18.9021 GPRESSAVG: 3571200 -51.5544 -27.976 -6.92468 -29.2136 51.6205 -51.8804 -2.32459 -56.6634 17.8095 TIMING: 3571200 CPU: 11400.2, 0.00401155/step Wall: 11400.2, 0.00401155/step, 1.59214 hours remaining, 236.277344 MB of memory in use. ENERGY: 3571200 4059.6808 20506.3070 14512.0517 236.1835 -204110.8381 2877.4307 0.0000 0.0000 52383.0052 -109536.1793 301.0459 -161919.1845 -109164.7364 299.7327 -47.8319 -13.9000 761307.1508 6.0782 5.9585 PRESSURE: 3571400 -69.4731 -116.001 -151.353 -116.002 81.7422 -14.569 -151.353 -14.5681 177.448 GPRESSURE: 3571400 -106.477 -26.7107 -124.349 -87.6999 104.973 -17.2311 -180.114 11.9138 254.888 PRESSAVG: 3571400 -60.3183 -46.1111 44.5863 -46.1112 69.2659 -33.7221 44.5862 -33.7222 3.6053 GPRESSAVG: 3571400 -61.3497 -45.7967 44.5164 -45.8623 69.3336 -34.0336 42.447 -31.5038 4.14368 TIMING: 3571400 CPU: 11401, 0.00400092/step Wall: 11401, 0.00400092/step, 1.5877 hours remaining, 236.277344 MB of memory in use. ENERGY: 3571400 4001.6251 20630.1254 14454.3689 251.9186 -203616.9000 2767.7269 0.0000 0.0000 51820.5473 -109690.5878 297.8134 -161511.1351 -109333.5950 299.2863 63.2390 84.4614 762405.6324 4.1843 4.0425 PRESSURE: 3571600 325.508 79.4701 111.217 79.4713 98.7529 -116.303 111.217 -116.303 81.1799 GPRESSURE: 3571600 269.785 40.8874 106.438 83.3604 240.442 -15.1306 -25.4222 -189.267 87.3722 PRESSAVG: 3571600 -68.7383 -30.5126 -63.5823 -30.5126 44.4156 23.2353 -63.5823 23.2353 -27.0962 GPRESSAVG: 3571600 -69.4537 -31.3451 -63.9443 -29.9888 45.2412 24.6327 -64.3509 22.9476 -26.9901 TIMING: 3571600 CPU: 11401.8, 0.00399114/step Wall: 11401.8, 0.00399114/step, 1.5836 hours remaining, 236.277344 MB of memory in use. ENERGY: 3571600 3912.1719 20474.8007 14575.3028 273.3403 -203310.2405 2634.4913 0.0000 0.0000 51804.8691 -109635.2645 297.7233 -161440.1335 -109273.9961 298.8328 168.4801 199.1998 761323.4186 -17.1396 -17.0675 PRESSURE: 3571800 332.775 -228.021 -96.9352 -228.022 90.5084 23.0638 -96.9343 23.0648 267.061 GPRESSURE: 3571800 430.577 -163.265 -148.589 -246.256 165.865 42.5781 -61.1914 -89.7913 197.312 PRESSAVG: 3571800 7.65367 -5.1162 1.14248 -5.11627 21.3926 32.2881 1.14253 32.2881 -8.36701 GPRESSAVG: 3571800 9.09173 -5.66431 1.68327 -5.31543 19.5347 32.5472 2.47281 30.9645 -7.981 TIMING: 3571800 CPU: 11402.6, 0.00401923/step Wall: 11402.6, 0.00401923/step, 1.59452 hours remaining, 236.277344 MB of memory in use. ENERGY: 3571800 3950.1590 20358.0664 14494.5832 257.8819 -203649.5020 2815.5645 0.0000 0.0000 52155.8877 -109617.3595 299.7406 -161773.2471 -109248.4198 299.4381 230.1148 264.5845 762000.5928 6.8931 6.8818 PRESSURE: 3572000 -194.7 91.423 239.84 91.423 -383.687 -147.913 239.841 -147.913 178.283 GPRESSURE: 3572000 -164.706 5.97863 278.46 143.375 -306.621 -169.626 135.47 -100.483 140.403 PRESSAVG: 3572000 26.2776 -0.401122 -6.45107 -0.401162 12.1111 39.5901 -6.45103 39.5902 9.01622 GPRESSAVG: 3572000 25.249 0.784966 -6.36588 -2.74771 13.0155 38.9684 -7.72728 41.416 8.47871 TIMING: 3572000 CPU: 11403.4, 0.00402367/step Wall: 11403.4, 0.00402367/step, 1.59606 hours remaining, 236.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3572000 3877.7996 20429.1854 14517.4779 254.5638 -203189.8486 2254.1069 0.0000 0.0000 52332.1134 -109524.6016 300.7534 -161856.7150 -109146.3505 299.4162 -133.3680 -110.3077 761603.8941 15.8016 15.5811 PRESSURE: 3572200 -227.622 -53.8408 58.7556 -53.8414 199.924 78.1854 58.755 78.1865 170.634 GPRESSURE: 3572200 -132.609 -88.1006 89.8946 -12.1792 254.663 102.037 24.8324 19.0314 115.208 PRESSAVG: 3572200 -7.01089 -12.5444 -0.991576 -12.5444 48.6986 5.60665 -0.991571 5.60653 -16.6034 GPRESSAVG: 3572200 -5.56595 -13.9463 0.328892 -11.1008 48.1112 5.70708 -0.798732 6.11325 -16.9303 TIMING: 3572200 CPU: 11404.2, 0.00399907/step Wall: 11404.2, 0.00399907/step, 1.58607 hours remaining, 236.277344 MB of memory in use. ENERGY: 3572200 4001.2390 20606.0190 14564.6955 250.7416 -203463.5120 2519.7486 0.0000 0.0000 52264.2667 -109256.8015 300.3635 -161521.0683 -108903.9774 299.6942 47.6454 79.0874 761030.3335 8.3614 8.5383 LDB: ============= START OF LOAD BALANCING ============== 11416.7 LDB: ============== END OF LOAD BALANCING =============== 11416.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11416.7 LDB: ============= START OF LOAD BALANCING ============== 11417.1 LDB: Largest compute 7067 load 0.030995 is 16.0% of average load 0.193364 LDB: Average compute 0.004460 is 2.3% of average load 0.193364 LDB: TIME 11417.1 LOAD: AVG 0.193364 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.141 MB LDB: TIME 11417.1 LOAD: AVG 0.193364 MAX 0.214627 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 11417.1 LOAD: AVG 0.193364 MAX 0.214627 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 11417.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11417.1 PRESSURE: 3572400 -70.7102 -177.177 4.40951 -177.177 227.367 -237.105 4.40876 -237.106 81.1277 GPRESSURE: 3572400 21.8753 -143.747 -28.8544 -200.839 211.462 -233.733 -85.0501 -142.885 103.752 PRESSAVG: 3572400 55.5627 -32.6619 -32.037 -32.6618 -23.0469 -11.2425 -32.037 -11.2424 -17.6852 GPRESSAVG: 3572400 54.9679 -29.9777 -33.1271 -32.8017 -23.8276 -11.276 -31.6867 -11.3484 -16.2182 TIMING: 3572400 CPU: 11405, 0.0040845/step Wall: 11405, 0.0040845/step, 1.61973 hours remaining, 235.746094 MB of memory in use. ENERGY: 3572400 3984.3921 20489.0081 14481.3153 240.2381 -203754.9649 2946.6923 0.0000 0.0000 51944.4399 -109668.8789 298.5254 -161613.3188 -109309.4381 299.3095 79.2616 112.3632 763390.8031 4.9435 4.9740 PRESSURE: 3572600 -208.566 142.293 -144.071 142.293 -647.837 -46.7195 -144.071 -46.7195 142.194 GPRESSURE: 3572600 -149.105 104.586 -180.371 114.414 -547.624 -50.0801 -135.505 -49.8557 92.839 PRESSAVG: 3572600 26.3125 -30.5434 29.8954 -30.5434 -39.8765 7.43328 29.8954 7.43335 -12.122 GPRESSAVG: 3572600 26.7104 -33.0563 31.7776 -32.2513 -38.8219 7.56206 29.734 6.75306 -13.7618 TIMING: 3572600 CPU: 11405.8, 0.00400551/step Wall: 11405.8, 0.00400551/step, 1.58819 hours remaining, 236.011719 MB of memory in use. ENERGY: 3572600 3977.5164 20385.1075 14472.0478 238.9608 -202766.2367 2119.7339 0.0000 0.0000 52085.2753 -109487.5950 299.3348 -161572.8703 -109128.8826 298.5579 -238.0697 -201.2966 761487.8623 -8.5620 -8.6244 PRESSURE: 3572800 -22.8892 7.8304 -135.312 7.82955 -134.864 188.606 -135.312 188.606 -38.9273 GPRESSURE: 3572800 13.6065 25.8479 -178.492 45.8325 -94.3784 176.462 -109.979 168.202 -35.5847 PRESSAVG: 3572800 45.375 28.5981 -14.8691 28.5981 -42.9842 43.8506 -14.8691 43.8506 -4.40771 GPRESSAVG: 3572800 45.4963 28.74 -16.5788 30.1312 -43.5557 43.0353 -12.2435 43.0336 -3.88174 TIMING: 3572800 CPU: 11406.6, 0.00399745/step Wall: 11406.6, 0.00399745/step, 1.58477 hours remaining, 236.011719 MB of memory in use. ENERGY: 3572800 3961.1932 20530.1170 14473.8672 249.5176 -203357.7154 2638.9461 0.0000 0.0000 52089.2525 -109414.8218 299.3576 -161504.0743 -109057.5724 298.9352 -65.5603 -38.7855 761847.2355 -0.6723 -0.6470 PRESSURE: 3573000 -107.678 -130.029 17.7068 -130.029 428.541 -77.2846 17.7071 -77.285 272.863 GPRESSURE: 3573000 -50.5251 -89.7695 81.7032 -144.189 418.057 -129.332 -68.4855 88.0639 302.274 PRESSAVG: 3573000 64.0167 -22.0042 4.08026 -22.0042 -22.7391 24.7823 4.08027 24.7823 -0.438997 GPRESSAVG: 3573000 63.0312 -20.0945 4.7141 -22.093 -22.9065 25.2702 1.13264 26.3918 0.617487 TIMING: 3573000 CPU: 11407.4, 0.00399402/step Wall: 11407.4, 0.00399402/step, 1.58319 hours remaining, 236.011719 MB of memory in use. ENERGY: 3573000 3956.8642 20583.3894 14453.9769 244.1335 -203341.6927 2598.8706 0.0000 0.0000 52081.5663 -109422.8918 299.3135 -161504.4582 -109064.4902 299.2736 197.9090 223.2686 760138.5064 13.6129 13.5807 PRESSURE: 3573200 91.3149 167.575 209.301 167.574 260.11 78.074 209.3 78.0746 -328.445 GPRESSURE: 3573200 139.077 196.606 151.884 113.608 261.828 75.7103 165.19 24.0371 -287.562 PRESSAVG: 3573200 29.1007 -53.5574 -5.2599 -53.5574 -11.0156 70.5672 -5.25983 70.5672 -7.08824 GPRESSAVG: 3573200 28.8651 -55.2492 -4.62236 -54.0145 -11.0191 70.5269 -6.26396 68.935 -6.70877 TIMING: 3573200 CPU: 11408.2, 0.00398477/step Wall: 11408.2, 0.00398477/step, 1.5793 hours remaining, 236.152344 MB of memory in use. ENERGY: 3573200 4052.2452 20520.4968 14476.2437 234.4231 -203116.9365 2303.5539 0.0000 0.0000 52072.4477 -109457.5261 299.2611 -161529.9738 -109088.6494 299.6823 7.6599 37.7811 759587.8670 3.6656 3.7124 PRESSURE: 3573400 -108.728 -151.012 24.2396 -151.012 164.624 172.181 24.2403 172.181 46.5694 GPRESSURE: 3573400 -140.537 -192.984 -32.5242 -83.6189 279.178 168.297 69.6712 116.431 64.981 PRESSAVG: 3573400 -18.9643 7.09945 11.6993 7.09942 9.70209 23.3136 11.6993 23.3136 -15.0755 GPRESSAVG: 3573400 -18.0746 7.31963 10.3602 7.41545 9.60129 22.2625 12.6067 24.6038 -16.2033 TIMING: 3573400 CPU: 11409, 0.00400708/step Wall: 11409, 0.00400708/step, 1.58792 hours remaining, 236.152344 MB of memory in use. ENERGY: 3573400 4041.5299 20338.8540 14479.0666 262.6550 -203145.6464 2512.0438 0.0000 0.0000 52033.5429 -109477.9542 299.0375 -161511.4972 -109114.2684 299.7073 34.1553 67.8742 760469.9915 -8.1126 -8.2255 PRESSURE: 3573600 241.678 -115.52 206.778 -115.521 244.523 -81.603 206.778 -81.6037 -161.984 GPRESSURE: 3573600 243.595 -148.318 136.172 -123.494 354.343 -37.5578 162.426 -47.0469 -179.828 PRESSAVG: 3573600 14.9989 -42.2348 39.1283 -42.2348 8.6704 1.85526 39.1283 1.85527 2.28847 GPRESSAVG: 3573600 14.8307 -43.7823 39.3645 -40.3271 8.74516 2.3229 39.5645 1.78154 2.48928 TIMING: 3573600 CPU: 11409.8, 0.00399805/step Wall: 11409.8, 0.00399805/step, 1.58412 hours remaining, 236.152344 MB of memory in use. ENERGY: 3573600 3985.5515 20569.6959 14501.9210 233.5705 -203401.9055 2511.6031 0.0000 0.0000 52022.4349 -109577.1286 298.9736 -161599.5635 -109216.9696 299.0121 108.0725 139.3700 760801.4278 8.6526 8.6884 PRESSURE: 3573800 -41.9426 -98.3825 20.7553 -98.3821 -100.606 -8.10392 20.755 -8.10488 -167.473 GPRESSURE: 3573800 -76.7251 -16.1211 -6.6 -92.315 -39.6901 -34.1296 219.705 55.8063 -112.582 PRESSAVG: 3573800 20.7203 -18.2823 28.4194 -18.2823 -8.22548 49.2598 28.4194 49.2597 -19.7161 GPRESSAVG: 3573800 21.1534 -17.3485 30.036 -20.1427 -8.70883 49.2369 29.3684 50.7634 -20.0005 TIMING: 3573800 CPU: 11410.6, 0.00401557/step Wall: 11410.6, 0.00401557/step, 1.59083 hours remaining, 236.152344 MB of memory in use. ENERGY: 3573800 3985.0232 20516.8680 14532.4031 228.0075 -203765.3276 2566.1813 0.0000 0.0000 52361.3777 -109575.4669 300.9216 -161936.8445 -109203.3889 299.4196 -103.3405 -76.3324 759166.2572 -2.4071 -2.5186 PRESSURE: 3574000 31.3695 -2.06418 -39.0424 -2.06385 -147.278 -38.5181 -39.0431 -38.5173 259.011 GPRESSURE: 3574000 114.769 27.232 27.9759 59.131 -135.887 -30.2442 -86.9495 -59.3517 247.318 PRESSAVG: 3574000 34.3552 -55.2601 -33.952 -55.26 21.4143 2.56123 -33.952 2.56117 -10.8986 GPRESSAVG: 3574000 34.7035 -53.222 -35.7191 -56.232 20.6269 2.43687 -35.5416 1.35532 -10.5508 TIMING: 3574000 CPU: 11411.4, 0.00400785/step Wall: 11411.4, 0.00400785/step, 1.58755 hours remaining, 236.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3574000 3946.0143 20374.3842 14505.0429 256.1646 -203718.1617 2717.1787 0.0000 0.0000 52244.3504 -109675.0267 300.2490 -161919.3771 -109299.5083 299.4604 47.7009 75.3999 760780.7910 14.9570 14.9265 PRESSURE: 3574200 -172.253 -65.0532 -63.5368 -65.053 -72.1254 -91.2011 -63.5365 -91.1997 155.582 GPRESSURE: 3574200 -124.083 26.2129 -91.8671 -63.6461 8.5137 -36.5121 -18.6594 81.8795 131.017 PRESSAVG: 3574200 -40.6367 -22.8986 -1.75738 -22.8985 30.8857 25.4138 -1.75739 25.4139 5.18406 GPRESSAVG: 3574200 -41.6942 -26.6829 -1.94349 -21.8591 32.4038 26.0067 0.595663 25.1646 4.89621 TIMING: 3574200 CPU: 11412.2, 0.00400623/step Wall: 11412.2, 0.00400623/step, 1.58669 hours remaining, 236.152344 MB of memory in use. ENERGY: 3574200 3935.3015 20509.2791 14490.2832 248.4688 -203593.5211 2797.2825 0.0000 0.0000 51983.2767 -109629.6292 298.7486 -161612.9060 -109264.5654 299.7094 -29.5989 5.1492 763666.9821 -1.5223 -1.4647 PRESSURE: 3574400 -102.773 -3.64927 -189.427 -3.64967 -156.968 -152.225 -189.427 -152.225 -164.101 GPRESSURE: 3574400 -118.904 -83.0753 -175.926 -32.4584 -125.705 -61.833 -117.999 -207.328 -70.5286 PRESSAVG: 3574400 -30.1374 -54.5276 -3.18574 -54.5277 42.9755 -12.4896 -3.18574 -12.4896 -22.6893 GPRESSAVG: 3574400 -30.3666 -53.7366 -3.59002 -54.6096 43.0026 -11.6874 -2.57251 -12.097 -22.3768 TIMING: 3574400 CPU: 11413, 0.00398099/step Wall: 11413, 0.00398099/step, 1.57647 hours remaining, 236.152344 MB of memory in use. ENERGY: 3574400 3996.0803 20423.1163 14492.7353 231.2411 -203499.1516 2583.2118 0.0000 0.0000 51936.2204 -109836.5465 298.4782 -161772.7669 -109483.6182 299.0325 -141.2803 -105.0459 762611.9442 -3.2837 -3.2469 PRESSURE: 3574600 -98.984 -116.701 -16.3577 -116.702 -298.646 -16.0824 -16.3582 -16.0811 -374.798 GPRESSURE: 3574600 -90.7259 -29.6021 57.0986 -37.7063 -221.098 -0.0261647 70.5053 -5.10942 -383.934 PRESSAVG: 3574600 35.4226 -18.15 -47.7191 -18.1499 -76.254 -20.8832 -47.719 -20.8832 -0.642606 GPRESSAVG: 3574600 35.4484 -16.8544 -46.72 -19.0467 -77.1532 -23.1498 -49.2263 -23.4767 -0.0422384 TIMING: 3574600 CPU: 11413.8, 0.00401744/step Wall: 11413.8, 0.00401744/step, 1.59068 hours remaining, 236.152344 MB of memory in use. ENERGY: 3574600 3980.5955 20536.6390 14471.2883 239.8681 -203352.9869 2258.3903 0.0000 0.0000 51995.2406 -109870.9651 298.8174 -161866.2057 -109517.0472 298.6901 -257.4762 -231.9193 762197.2745 -13.8247 -13.9157 PRESSURE: 3574800 -252.424 -37.8604 50.9739 -37.8604 -459.427 167.923 50.9739 167.922 -104.699 GPRESSURE: 3574800 -190.173 -81.3761 51.084 108.901 -436.096 88.937 -61.8306 195.125 -109.39 PRESSAVG: 3574800 18.8205 23.6447 -42.0698 23.6448 -17.0066 -15.7323 -42.0698 -15.7323 4.41867 GPRESSAVG: 3574800 19.5551 24.386 -42.4945 25.3897 -16.5279 -14.7991 -43.6479 -15.6483 3.24478 TIMING: 3574800 CPU: 11414.6, 0.00401608/step Wall: 11414.6, 0.00401608/step, 1.58992 hours remaining, 236.152344 MB of memory in use. ENERGY: 3574800 3951.5654 20577.7622 14492.7171 225.0490 -203505.9870 2575.9866 0.0000 0.0000 51817.8141 -109865.0925 297.7977 -161682.9066 -109502.7262 298.4797 -272.1837 -245.2198 761338.4765 2.0775 2.0907 PRESSURE: 3575000 -174.541 -49.2612 154.818 -49.2622 -192.515 98.7116 154.818 98.712 -32.2584 GPRESSURE: 3575000 -166.144 -153.432 230.434 24.4715 -143.124 68.7751 155.825 58.8376 -5.6624 PRESSAVG: 3575000 1.86466 -41.2823 -27.0693 -41.2824 8.887 32.2087 -27.0693 32.2087 -19.5832 GPRESSAVG: 3575000 2.42277 -42.9245 -26.7415 -41.4842 8.06609 33.9814 -24.6443 32.4068 -19.2976 TIMING: 3575000 CPU: 11415.4, 0.00398572/step Wall: 11415.4, 0.00398572/step, 1.57768 hours remaining, 236.152344 MB of memory in use. ENERGY: 3575000 4016.8904 20555.3716 14471.2333 246.0615 -203072.1298 2250.1549 0.0000 0.0000 51790.7247 -109741.6934 297.6420 -161532.4181 -109378.9610 299.0508 -133.1049 -104.9768 761155.1239 -2.9439 -2.9363 PRESSURE: 3575200 -87.1978 -129.311 96.4732 -129.31 56.9758 -261.695 96.473 -261.695 -84.4301 GPRESSURE: 3575200 41.1721 -25.6135 181.593 -153.367 -16.5347 -297.704 59.1503 -170.389 -56.7074 PRESSAVG: 3575200 52.8912 -55.1264 -36.5896 -55.1264 -29.6878 28.3551 -36.5896 28.3551 -2.44576 GPRESSAVG: 3575200 51.6256 -55.3787 -36.5108 -55.8216 -27.7037 27.3773 -36.8599 30.5879 -2.93377 TIMING: 3575200 CPU: 11416.2, 0.00399807/step Wall: 11416.2, 0.00399807/step, 1.58235 hours remaining, 236.152344 MB of memory in use. ENERGY: 3575200 3993.8215 20445.7267 14541.2104 244.3864 -203353.1597 2433.3514 0.0000 0.0000 52074.1976 -109620.4657 299.2711 -161694.6633 -109246.1239 298.9914 -38.2174 -10.6900 760605.6860 6.9192 6.9961 PRESSURE: 3575400 319.22 -171.686 92.2587 -171.686 -117.523 -104.506 92.2583 -104.505 291.059 GPRESSURE: 3575400 321.922 -93.4547 52.568 -136.733 -78.2145 -111.01 23.4262 -139.669 335.462 PRESSAVG: 3575400 14.2632 -71.9198 -2.35395 -71.9198 -49.6304 -16.1056 -2.35393 -16.1056 10.1745 GPRESSAVG: 3575400 14.3533 -72.8391 -3.31067 -70.598 -51.3357 -16.8455 -1.15404 -16.6141 11.2628 TIMING: 3575400 CPU: 11417, 0.00399021/step Wall: 11417, 0.00399021/step, 1.57902 hours remaining, 236.152344 MB of memory in use. ENERGY: 3575400 3916.9350 20573.4488 14480.2539 246.5742 -203398.2668 2681.6697 0.0000 0.0000 51912.9912 -109586.3941 298.3447 -161499.3853 -109222.3192 298.9084 164.2521 193.0563 760788.4670 -8.3976 -8.5732 PRESSURE: 3575600 62.0503 -109.818 -59.0436 -109.817 96.7516 -49.2751 -59.0438 -49.2752 -227.636 GPRESSURE: 3575600 42.4662 -98.7464 -9.75517 -122.32 179.394 -70.8517 -109.143 -33.1747 -212.098 PRESSAVG: 3575600 27.2764 1.14792 -47.3166 1.14789 -30.6088 -15.9996 -47.3167 -15.9996 -11.5919 GPRESSAVG: 3575600 25.8102 3.61081 -46.2319 -0.427409 -29.3881 -16.1777 -49.0114 -15.1449 -11.0276 TIMING: 3575600 CPU: 11417.8, 0.00401245/step Wall: 11417.8, 0.00401245/step, 1.58759 hours remaining, 236.152344 MB of memory in use. ENERGY: 3575600 3975.0489 20511.7089 14548.8028 242.0608 -203926.8579 2729.6834 0.0000 0.0000 51988.6754 -109930.8776 298.7796 -161919.5530 -109575.1143 298.8021 -22.9446 3.2541 759769.0605 -4.9748 -4.8685 PRESSURE: 3575800 -613.306 89.5267 44.6472 89.5276 -164.287 -186.253 44.6476 -186.253 -254.637 GPRESSURE: 3575800 -547.704 5.9659 -12.711 -19.9064 -154.167 -234.044 -13.4397 -83.6001 -239.943 PRESSAVG: 3575800 26.0374 3.90835 -29.9581 3.90824 -31.9487 11.3678 -29.9582 11.3678 -9.9531 GPRESSAVG: 3575800 27.1682 4.02719 -33.3221 5.39964 -32.9173 11.5657 -27.0673 10.7598 -10.7918 TIMING: 3575800 CPU: 11418.6, 0.00400949/step Wall: 11418.6, 0.00400949/step, 1.5862 hours remaining, 236.152344 MB of memory in use. ENERGY: 3575800 4014.0755 20477.6559 14494.2257 244.3619 -203245.9048 2085.7347 0.0000 0.0000 51750.2886 -110179.5624 297.4096 -161929.8510 -109819.1902 297.7638 -344.0770 -313.9379 760097.2670 -5.2881 -5.5136 PRESSURE: 3576000 -146.995 -224.544 -61.426 -224.543 87.8684 54.1063 -61.4256 54.1057 -141.69 GPRESSURE: 3576000 -66.8364 -173.473 -175.538 -103.554 116.001 0.171375 45.6201 23.1424 -161.03 PRESSAVG: 3576000 -6.15859 -87.1907 -52.9574 -87.1906 24.9367 5.27127 -52.9575 5.27122 -20.0689 GPRESSAVG: 3576000 -5.53736 -88.7757 -51.6199 -84.0875 24.3219 5.19321 -53.4788 5.47068 -19.6665 TIMING: 3576000 CPU: 11419.4, 0.00400497/step Wall: 11419.4, 0.00400497/step, 1.58419 hours remaining, 236.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3576000 3997.7416 20412.7181 14469.2276 233.5636 -203447.4438 2177.9675 0.0000 0.0000 52102.4678 -110053.7576 299.4336 -162156.2254 -109696.9904 298.1887 -66.9391 -37.2884 760035.2960 -0.4303 -0.2940 PRESSURE: 3576200 -388.673 -11.6729 -246.169 -11.6731 -75.8556 -71.4125 -246.169 -71.4118 299.253 GPRESSURE: 3576200 -342.898 -20.5679 -199.118 54.5343 -11.083 -76.0476 -255.308 -40.1733 271.171 PRESSAVG: 3576200 -62.2332 -9.48433 -21.8544 -9.48434 44.0375 26.8263 -21.8544 26.8263 -22.8376 GPRESSAVG: 3576200 -61.8053 -11.3221 -21.6693 -10.4667 44.9647 27.8197 -18.8808 25.4251 -24.5943 TIMING: 3576200 CPU: 11420.2, 0.00403811/step Wall: 11420.2, 0.00403811/step, 1.59707 hours remaining, 236.351562 MB of memory in use. ENERGY: 3576200 3959.6190 20474.6928 14565.6751 248.8371 -203987.0025 2614.3641 0.0000 0.0000 52029.3381 -110094.4763 299.0133 -162123.8144 -109731.5880 298.4016 -55.0917 -27.6033 759875.8353 -13.6778 -13.8116 LDB: ============= START OF LOAD BALANCING ============== 11432.7 LDB: ============== END OF LOAD BALANCING =============== 11432.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11432.7 LDB: ============= START OF LOAD BALANCING ============== 11433.1 LDB: Largest compute 7055 load 0.030972 is 16.0% of average load 0.193229 LDB: Average compute 0.004438 is 2.3% of average load 0.193229 LDB: TIME 11433.1 LOAD: AVG 0.193229 MAX 0.213004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.598 MB LDB: TIME 11433.1 LOAD: AVG 0.193229 MAX 0.213004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 11433.1 LOAD: AVG 0.193229 MAX 0.213004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 11433.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11433.1 Info: useSync: 0 useProxySync: 0 PRESSURE: 3576400 31.1023 -61.0223 56.2746 -61.0228 129.098 -38.0766 56.2744 -38.0769 158.778 GPRESSURE: 3576400 54.9584 -135.524 42.8535 -80.7282 185.567 1.62437 23.9656 -128.969 172.783 PRESSAVG: 3576400 27.7568 -24.6249 7.60041 -24.6249 2.38121 -34.8843 7.6004 -34.8842 11.6595 GPRESSAVG: 3576400 27.6983 -20.1536 8.32701 -27.165 1.73268 -36.6268 3.39126 -34.9962 12.7832 TIMING: 3576400 CPU: 11421, 0.0040792/step Wall: 11421, 0.0040792/step, 1.6131 hours remaining, 235.042969 MB of memory in use. ENERGY: 3576400 3952.2776 20385.2015 14588.0336 226.7661 -203414.5399 2308.8047 0.0000 0.0000 51750.5668 -110202.8897 297.4112 -161953.4565 -109848.6322 298.0683 106.3261 137.7692 757633.0525 13.9325 14.0714 PRESSURE: 3576600 77.481 -223.044 39.9045 -223.044 5.37697 116.771 39.9048 116.772 136.423 GPRESSURE: 3576600 124.572 -182.115 48.9802 -246.06 62.0445 -49.2875 104.986 19.6985 122.507 PRESSAVG: 3576600 -7.32412 -4.12741 -0.427202 -4.12734 -15.296 -17.9846 -0.427169 -17.9847 13.1239 GPRESSAVG: 3576600 -8.08375 -7.37061 0.45891 -2.93308 -13.9386 -17.318 -0.727225 -15.3751 12.8452 TIMING: 3576600 CPU: 11421.8, 0.00399788/step Wall: 11421.8, 0.00399788/step, 1.58072 hours remaining, 235.113281 MB of memory in use. ENERGY: 3576600 3930.2310 20348.1600 14549.5316 249.3505 -203852.2286 2735.4242 0.0000 0.0000 51798.8081 -110240.7233 297.6885 -162039.5314 -109877.7489 298.0725 73.0937 103.0413 759738.5342 -3.1654 -3.0590 PRESSURE: 3576800 224.935 -186.474 -133.674 -186.474 46.248 -187.307 -133.674 -187.308 58.7509 GPRESSURE: 3576800 245.449 -151.333 -120.988 -170.564 91.8187 -115.787 -129.049 -233.68 87.6772 PRESSAVG: 3576800 -5.23951 -50.751 -23.6687 -50.751 17.8412 45.9737 -23.6687 45.9736 -0.11431 GPRESSAVG: 3576800 -3.7461 -47.3307 -24.5485 -52.4855 17.1784 45.3404 -21.9725 46.9509 -1.07068 TIMING: 3576800 CPU: 11422.6, 0.00400532/step Wall: 11422.6, 0.00400532/step, 1.58344 hours remaining, 235.113281 MB of memory in use. ENERGY: 3576800 3937.8268 20366.5416 14506.4250 254.9894 -203275.4391 2346.6754 0.0000 0.0000 51718.0846 -110144.8963 297.2245 -161862.9809 -109775.5851 297.6512 109.9781 141.6482 761394.9452 4.1625 4.1205 PRESSURE: 3577000 -210.182 104.92 31.2254 104.92 -79.8273 165.192 31.2257 165.194 394.775 GPRESSURE: 3577000 -84.3216 174.686 12.6727 -17.2853 -76.314 109.33 27.3648 182.529 357.675 PRESSAVG: 3577000 -17.7557 -10.1716 -55.1798 -10.1715 -10.2765 -31.7504 -55.1798 -31.7503 -15.3312 GPRESSAVG: 3577000 -18.1321 -11.934 -54.1522 -10.654 -10.3942 -31.9012 -58.3155 -32.6517 -15.5936 TIMING: 3577000 CPU: 11423.4, 0.0039862/step Wall: 11423.4, 0.0039862/step, 1.57566 hours remaining, 235.113281 MB of memory in use. ENERGY: 3577000 3903.8343 20587.9240 14504.4606 255.3941 -203651.3475 2462.0330 0.0000 0.0000 51894.7846 -110042.9168 298.2400 -161937.7014 -109685.0333 297.9233 34.9217 65.6797 759223.8723 -14.4545 -14.7066 PRESSURE: 3577200 222.24 -202.888 17.1335 -202.888 15.1937 -71.0416 17.1337 -71.0425 -278.326 GPRESSURE: 3577200 315.321 -103.627 16.9966 -113.24 28.2051 -64.8432 23.689 -160.118 -270.741 PRESSAVG: 3577200 -0.860834 -11.0655 -5.53814 -11.0655 28.3737 8.3766 -5.53807 8.37657 -3.37136 GPRESSAVG: 3577200 0.12982 -13.1952 -5.94792 -10.2488 27.4267 8.50032 -3.77063 8.37459 -3.12167 TIMING: 3577200 CPU: 11424.2, 0.00400691/step Wall: 11424.2, 0.00400691/step, 1.58362 hours remaining, 235.113281 MB of memory in use. ENERGY: 3577200 3991.1908 20341.3587 14459.6208 249.4524 -203632.7601 2503.3663 0.0000 0.0000 51867.7514 -110220.0197 298.0847 -162087.7711 -109852.1218 298.4830 -13.6307 24.2618 760521.2002 8.0472 8.1450 PRESSURE: 3577400 -220.131 -146.989 73.8974 -146.988 -218.436 -8.92072 73.8972 -8.91994 208.243 GPRESSURE: 3577400 -165.502 -178.15 118.519 -129.422 -168.127 74.7727 -0.515521 -42.7191 172.339 PRESSAVG: 3577400 -51.0097 -77.2453 8.70125 -77.2453 -9.07866 -25.3049 8.70125 -25.305 -2.49105 GPRESSAVG: 3577400 -51.6489 -76.7804 7.11816 -78.948 -8.36351 -24.3098 9.03557 -25.5413 -2.76266 TIMING: 3577400 CPU: 11425, 0.00401441/step Wall: 11425, 0.00401441/step, 1.58636 hours remaining, 235.113281 MB of memory in use. ENERGY: 3577400 3872.4709 20582.1012 14552.7014 260.3416 -203523.2587 2343.5899 0.0000 0.0000 51901.7288 -110010.3249 298.2799 -161912.0537 -109653.1048 297.5074 -76.7744 -53.7634 761962.0988 -20.8598 -20.9250 PRESSURE: 3577600 -46.5078 31.9979 -4.45097 31.9982 -133.805 14.8585 -4.45053 14.8582 20.6357 GPRESSURE: 3577600 -97.5972 -21.1652 -15.3974 123.283 -76.7413 42.7688 88.1175 54.2058 92.9534 PRESSAVG: 3577600 -15.2415 -12.2228 -25.9145 -12.2228 33.1789 -5.5067 -25.9145 -5.50664 -40.0133 GPRESSAVG: 3577600 -15.7966 -12.3046 -26.5333 -11.8942 33.3814 -5.2554 -23.5757 -7.98051 -39.4627 TIMING: 3577600 CPU: 11425.8, 0.00399587/step Wall: 11425.8, 0.00399587/step, 1.57881 hours remaining, 235.113281 MB of memory in use. ENERGY: 3577600 4005.5618 20265.4871 14506.0828 241.1226 -203647.1912 2513.1566 0.0000 0.0000 52166.8985 -109948.8818 299.8039 -162115.7803 -109587.3104 297.8095 -53.2255 -27.1284 759993.6459 -7.3586 -7.2927 PRESSURE: 3577800 -204.939 -11.2717 34.9 -11.2715 -74.9205 -31.5206 34.8994 -31.5205 4.5168 GPRESSURE: 3577800 -154.705 34.122 -51.4872 -128.333 -38.4674 4.40304 -27.6229 -116.012 3.70621 PRESSAVG: 3577800 -1.70093 23.4863 17.9796 23.4863 -24.3503 -5.45095 17.9796 -5.45098 -9.23111 GPRESSAVG: 3577800 -2.61407 24.7861 20.5009 23.8991 -25.5876 -4.96437 14.9862 -5.18289 -7.67359 TIMING: 3577800 CPU: 11426.6, 0.00400368/step Wall: 11426.6, 0.00400368/step, 1.58168 hours remaining, 235.113281 MB of memory in use. ENERGY: 3577800 3908.9680 20343.9152 14454.9931 223.0180 -202640.7812 1904.0572 0.0000 0.0000 51937.1741 -109868.6556 298.4837 -161805.8297 -109503.4988 298.3339 -91.7809 -63.1553 760848.8903 -11.7608 -11.9584 PRESSURE: 3578000 178.052 146.086 -113.729 146.086 7.11779 -48.8025 -113.729 -48.8014 -185.116 GPRESSURE: 3578000 138.009 173.471 -38.4392 356.164 89.0538 -28.1323 -135.275 -35.0365 -115.262 PRESSAVG: 3578000 -24.3947 12.065 -14.6663 12.065 59.1908 9.38965 -14.6663 9.38959 -4.49158 GPRESSAVG: 3578000 -23.5881 9.85369 -14.9952 14.3222 60.1483 8.11865 -12.0612 9.16586 -6.16416 TIMING: 3578000 CPU: 11427.4, 0.00403734/step Wall: 11427.4, 0.00403734/step, 1.59475 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3578000 3945.4585 20517.5336 14491.5656 235.8148 -203430.8858 2596.1221 0.0000 0.0000 51929.3766 -109715.0147 298.4388 -161644.3913 -109353.5621 298.3227 0.0178 37.2669 759131.4805 10.1015 10.1320 PRESSURE: 3578200 -15.3972 -278.645 195.834 -278.645 88.4785 217.247 195.833 217.246 261.455 GPRESSURE: 3578200 105.842 -143.844 154.344 -283.836 77.851 211.803 76.8054 248.153 240.187 PRESSAVG: 3578200 40.8961 -7.89125 -12.3242 -7.89129 -2.73217 13.6436 -12.3241 13.6436 5.90359 GPRESSAVG: 3578200 40.8121 -7.47696 -12.8966 -9.02103 -1.25913 13.7075 -14.022 15.8086 4.75625 TIMING: 3578200 CPU: 11428.2, 0.00400238/step Wall: 11428.2, 0.00400238/step, 1.58072 hours remaining, 235.113281 MB of memory in use. ENERGY: 3578200 3902.9876 20457.4888 14444.6608 236.0602 -203205.5171 2406.4281 0.0000 0.0000 52142.8356 -109615.0560 299.6656 -161757.8916 -109252.6384 298.7431 111.5121 141.2935 759693.5947 14.6892 14.7697 PRESSURE: 3578400 -27.1827 -409.452 -16.8479 -409.452 46.207 35.4367 -16.8476 35.4352 403.116 GPRESSURE: 3578400 10.3851 -391.559 -42.6723 -360.794 194.381 38.8491 -149.3 -21.2459 309.242 PRESSAVG: 3578400 -13.7235 -34.6016 -13.406 -34.6017 17.7908 31.4032 -13.406 31.4031 -6.10611 GPRESSAVG: 3578400 -13.1702 -31.32 -13.3089 -36.347 16.3002 32.6833 -15.2379 31.3028 -5.16065 TIMING: 3578400 CPU: 11429, 0.00403437/step Wall: 11429, 0.00403437/step, 1.59313 hours remaining, 235.113281 MB of memory in use. ENERGY: 3578400 3975.0638 20473.4287 14526.2904 260.1097 -203001.0616 2267.4054 0.0000 0.0000 51844.9312 -109653.8324 297.9535 -161498.7636 -109292.9271 299.1019 140.7134 171.3362 760099.2818 -0.6796 -0.6769 PRESSURE: 3578600 81.7132 -48.5861 66.1183 -48.5855 -52.2333 198.942 66.1187 198.942 -55.7753 GPRESSURE: 3578600 118.384 -62.54 137.661 23.1018 -106.714 139.313 -43.0972 106.159 44.3105 PRESSAVG: 3578600 -9.90611 51.2955 -30.6018 51.2955 -8.9248 -15.548 -30.6018 -15.5479 -12.2636 GPRESSAVG: 3578600 -10.9063 48.6424 -31.2826 54.0509 -8.57249 -15.9584 -28.9524 -16.1142 -11.5821 TIMING: 3578600 CPU: 11429.8, 0.00400394/step Wall: 11429.8, 0.00400394/step, 1.58089 hours remaining, 235.113281 MB of memory in use. ENERGY: 3578600 3949.8183 20537.9722 14479.5293 236.7499 -203492.7871 2520.2110 0.0000 0.0000 52062.2954 -109706.2110 299.2027 -161768.5065 -109339.4665 298.9461 -8.7651 18.6603 761259.7641 -10.3648 -10.3536 PRESSURE: 3578800 77.4322 195.988 -42.2466 195.987 -221.6 7.83626 -42.2471 7.8362 72.3187 GPRESSURE: 3578800 80.151 168.077 -67.6513 63.6452 -101.584 76.4579 44.2981 20.5702 32.9282 PRESSAVG: 3578800 7.82745 -8.52129 -30.2549 -8.52132 20.7055 -18.9215 -30.255 -18.9215 4.50295 GPRESSAVG: 3578800 8.17401 -7.14315 -30.3369 -10.952 21.0122 -19.91 -30.9026 -19.881 3.34906 TIMING: 3578800 CPU: 11430.6, 0.00399241/step Wall: 11430.6, 0.00399241/step, 1.57612 hours remaining, 235.113281 MB of memory in use. ENERGY: 3578800 3999.2268 20354.7250 14561.3760 240.8583 -203598.6228 2624.7763 0.0000 0.0000 52033.1123 -109784.5481 299.0350 -161817.6604 -109420.8393 298.9823 -23.9496 3.8318 761059.5562 11.0120 10.8451 PRESSURE: 3579000 116.15 -210.456 74.2638 -210.456 -211.766 117.836 74.2634 117.835 128.25 GPRESSURE: 3579000 85.0668 -164.681 66.0209 -192.905 -130.673 90.3272 111.652 183.424 175.079 PRESSAVG: 3579000 -9.47868 -40.635 4.2784 -40.635 40.3756 39.5766 4.27847 39.5766 8.19798 GPRESSAVG: 3579000 -10.4833 -42.5574 7.20383 -38.8714 41.1785 39.5467 3.91976 40.9356 9.30769 TIMING: 3579000 CPU: 11431.4, 0.00398579/step Wall: 11431.4, 0.00398579/step, 1.57328 hours remaining, 235.113281 MB of memory in use. ENERGY: 3579000 3966.5288 20206.7873 14507.0579 259.4227 -203383.5066 2465.1889 0.0000 0.0000 52112.5664 -109865.9545 299.4916 -161978.5209 -109502.1343 298.9539 10.8780 43.1578 761763.3193 13.0316 13.3343 PRESSURE: 3579200 -203.304 -51.2756 -292.717 -51.276 -138.957 215.988 -292.717 215.987 -271.335 GPRESSURE: 3579200 -80.38 0.81945 -329.34 12.2333 -148.354 154.504 -287.485 173.984 -295.306 PRESSAVG: 3579200 32.409 1.57006 -2.11019 1.57002 -41.606 34.5167 -2.11015 34.5168 5.36211 GPRESSAVG: 3579200 33.7617 3.17558 -5.18524 0.389465 -41.7373 35.4422 -1.1856 35.6961 3.98144 TIMING: 3579200 CPU: 11432.2, 0.00400922/step Wall: 11432.2, 0.00400922/step, 1.5823 hours remaining, 235.113281 MB of memory in use. ENERGY: 3579200 3926.0495 20409.8169 14430.1698 246.8381 -203208.4591 2238.2263 0.0000 0.0000 52184.4045 -109772.9540 299.9045 -161957.3585 -109410.1016 298.6403 -204.5320 -174.6800 760974.8919 -1.2783 -1.3314 PRESSURE: 3579400 -176.381 -236.839 -87.3456 -236.838 18.3371 8.6415 -87.3449 8.64126 225.231 GPRESSURE: 3579400 -181.441 -184.197 -155.283 -262.409 -2.19229 -54.1786 -77.3306 -48.5863 325.432 PRESSAVG: 3579400 -22.1934 4.77953 6.75328 4.77955 34.8366 31.7075 6.75324 31.7076 14.5841 GPRESSAVG: 3579400 -23.3121 4.47113 6.37137 4.31028 35.2349 30.7626 6.54122 28.7274 15.0328 TIMING: 3579400 CPU: 11433, 0.00398219/step Wall: 11433, 0.00398219/step, 1.57142 hours remaining, 235.113281 MB of memory in use. ENERGY: 3579400 3906.5505 20354.3896 14476.5774 238.2893 -202975.8749 2257.1044 0.0000 0.0000 51856.0665 -109886.8972 298.0175 -161742.9637 -109526.8855 298.8201 22.3958 47.2661 759552.2590 9.0757 8.9852 PRESSURE: 3579600 165.766 -123.007 -213.838 -123.008 142.158 -117.75 -213.838 -117.75 -187.638 GPRESSURE: 3579600 263.784 -18.1999 -134.711 -68.2901 152.746 -135.642 -290.117 89.8873 -204.16 PRESSAVG: 3579600 40.1757 -37.8882 43.1961 -37.8882 -54.1598 10.2899 43.196 10.2899 22.9434 GPRESSAVG: 3579600 40.2375 -38.9815 44.4906 -36.4197 -54.1373 10.5811 43.0651 13.6862 23.2116 TIMING: 3579600 CPU: 11433.8, 0.00399989/step Wall: 11433.8, 0.00399989/step, 1.57818 hours remaining, 235.113281 MB of memory in use. ENERGY: 3579600 4019.5144 20375.8173 14462.2936 232.0709 -203579.3531 2541.5333 0.0000 0.0000 52069.1082 -109879.0154 299.2419 -161948.1236 -109510.5050 298.5453 40.0953 70.7901 759349.6358 2.9864 3.1039 PRESSURE: 3579800 262.917 -64.8533 96.0094 -64.8528 -50.1698 -19.322 96.0085 -19.3218 131.863 GPRESSURE: 3579800 288.862 -60.0623 153.678 24.2002 21.7715 -64.896 60.2374 -13.6729 126.152 PRESSAVG: 3579800 5.42845 -69.2843 19.9349 -69.2843 7.91641 -23.6274 19.9348 -23.6274 -25.87 GPRESSAVG: 3579800 4.5449 -70.3087 19.7247 -67.5405 7.67055 -24.3492 20.5211 -26.0943 -24.7209 TIMING: 3579800 CPU: 11434.6, 0.00399474/step Wall: 11434.6, 0.00399474/step, 1.57593 hours remaining, 235.113281 MB of memory in use. ENERGY: 3579800 3956.9576 20438.1251 14475.8849 253.9865 -203668.7951 2653.6987 0.0000 0.0000 51968.7564 -109921.3859 298.6652 -161890.1423 -109547.8088 298.9538 114.8701 145.5950 761075.1325 -4.1751 -4.1685 PRESSURE: 3580000 199.14 -158.528 64.2225 -158.528 -330.686 -59.6867 64.2218 -59.6862 -307.934 GPRESSURE: 3580000 237.614 -2.89888 38.3121 -205.094 -327.56 -77.2959 121.655 -53.7628 -246.095 PRESSAVG: 3580000 39.2272 -12.8525 -18.2674 -12.8525 -31.1059 -25.3592 -18.2674 -25.3593 7.96171 GPRESSAVG: 3580000 39.7137 -11.011 -19.3382 -16.6959 -31.0674 -25.2784 -18.7953 -24.4388 7.70067 TIMING: 3580000 CPU: 11435.4, 0.00400279/step Wall: 11435.4, 0.00400279/step, 1.57888 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3580000 3949.9053 20409.3278 14484.0486 253.5533 -203116.0237 2103.0629 0.0000 0.0000 51805.0930 -110111.0328 297.7246 -161916.1259 -109749.6052 298.5871 -146.4932 -112.0138 759322.0158 5.3610 5.4490 PRESSURE: 3580200 -190.307 -43.2427 6.71331 -43.242 189.677 189.266 6.71287 189.266 165.379 GPRESSURE: 3580200 -46.7315 -0.662652 56.4891 12.3368 93.4013 144.399 28.666 201.005 203.761 PRESSAVG: 3580200 3.28973 -50.8997 -9.68504 -50.8996 19.1191 -45.1108 -9.68509 -45.1108 13.0694 GPRESSAVG: 3580200 3.57988 -51.207 -9.93374 -49.0388 19.2285 -43.5054 -8.6258 -46.3832 12.8691 TIMING: 3580200 CPU: 11436.2, 0.00404088/step Wall: 11436.2, 0.00404088/step, 1.59368 hours remaining, 235.113281 MB of memory in use. ENERGY: 3580200 3903.6298 20557.6323 14568.5855 216.7511 -203908.2825 2482.8655 0.0000 0.0000 51992.7253 -110186.0930 298.8029 -162178.8183 -109820.3874 298.2217 54.9163 83.4771 759890.2476 11.8261 11.8925 LDB: ============= START OF LOAD BALANCING ============== 11448.7 LDB: ============== END OF LOAD BALANCING =============== 11448.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11448.7 LDB: ============= START OF LOAD BALANCING ============== 11449.1 LDB: Largest compute 7070 load 0.031791 is 16.4% of average load 0.193334 LDB: Average compute 0.004461 is 2.3% of average load 0.193334 LDB: TIME 11449.1 LOAD: AVG 0.193334 MAX 0.213175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 11449.1 LOAD: AVG 0.193334 MAX 0.213175 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.68 MB LDB: TIME 11449.1 LOAD: AVG 0.193334 MAX 0.213175 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.68 MB LDB: ============== END OF LOAD BALANCING =============== 11449.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11449.2 PRESSURE: 3580400 -610.839 101.655 -37.8951 101.655 -274.568 231.391 -37.8954 231.391 -59.633 GPRESSURE: 3580400 -430.539 25.2181 -20.7653 35.3817 -318.474 232.791 -44.6346 219.285 -113.457 PRESSAVG: 3580400 25.0303 9.3139 -37.7764 9.31393 -46.9299 -0.126401 -37.7764 -0.126484 -9.37841 GPRESSAVG: 3580400 25.9272 10.0632 -38.3841 8.696 -47.3965 -3.12972 -38.7485 1.64489 -9.57614 TIMING: 3580400 CPU: 11437.1, 0.00410744/step Wall: 11437.1, 0.00410744/step, 1.6197 hours remaining, 232.140625 MB of memory in use. ENERGY: 3580400 3999.1358 20325.4150 14518.6929 249.1048 -203327.9621 2228.8512 0.0000 0.0000 51960.9070 -110045.8554 298.6200 -162006.7625 -109686.2206 298.6061 -315.0132 -287.4901 760291.9300 -10.4260 -10.3485 PRESSURE: 3580600 285.899 94.8737 134.223 94.8736 -110.343 97.5162 134.224 97.5158 -88.9534 GPRESSURE: 3580600 274.811 82.4967 195.736 108.209 -16.3694 155.286 78.7775 174.427 -76.7854 PRESSAVG: 3580600 -2.76538 -36.1796 8.29223 -36.1796 -0.82626 13.0671 8.29226 13.0672 -23.8729 GPRESSAVG: 3580600 -2.41916 -37.4711 7.28848 -35.7621 -0.419588 13.5146 8.44415 12.1761 -24.3731 TIMING: 3580600 CPU: 11437.9, 0.00401462/step Wall: 11437.9, 0.00401462/step, 1.58287 hours remaining, 232.140625 MB of memory in use. ENERGY: 3580600 3897.2653 20444.5535 14494.7924 254.0364 -203518.0433 2542.0078 0.0000 0.0000 51980.7597 -109904.6282 298.7341 -161885.3879 -109535.5199 298.5449 28.8674 60.5522 760921.1202 -9.1548 -9.0706 PRESSURE: 3580800 -81.8919 -264.225 130.914 -264.224 279.472 -113.35 130.915 -113.349 295.521 GPRESSURE: 3580800 35.8677 -284.029 125.352 -216.289 262.625 -171.75 218.808 -174.334 269.171 PRESSAVG: 3580800 -5.89677 -50.1502 57.2099 -50.1502 18.5544 -2.63298 57.2099 -2.63293 16.9077 GPRESSAVG: 3580800 -5.85785 -50.3786 59.1598 -51.1 18.1785 -3.02006 56.9413 -3.41986 17.0577 TIMING: 3580800 CPU: 11438.7, 0.00401694/step Wall: 11438.7, 0.00401694/step, 1.58357 hours remaining, 232.140625 MB of memory in use. ENERGY: 3580800 3956.6742 20480.9003 14499.8539 277.9599 -203695.8293 2485.5198 0.0000 0.0000 51978.4516 -110016.4696 298.7209 -161994.9212 -109660.4166 297.8711 164.3669 189.2214 759874.5539 9.8551 9.7928 PRESSURE: 3581000 -260.134 -91.8635 34.4804 -91.864 40.6529 33.4869 34.4813 33.485 -80.4568 GPRESSURE: 3581000 -269.396 -4.14328 48.7206 -58.2091 127.946 28.1757 40.5631 -34.8206 -62.5509 PRESSAVG: 3581000 10.2294 -43.7711 25.0627 -43.7711 -8.80343 -23.8444 25.0628 -23.8444 -33.4207 GPRESSAVG: 3581000 10.0875 -44.3535 24.0038 -43.6323 -8.52683 -23.4593 24.268 -21.9046 -33.117 TIMING: 3581000 CPU: 11439.5, 0.00401558/step Wall: 11439.5, 0.00401558/step, 1.58281 hours remaining, 232.351562 MB of memory in use. ENERGY: 3581000 4058.0584 20442.5743 14582.2299 228.9349 -203860.4142 2705.6463 0.0000 0.0000 51854.6466 -109988.3239 298.0094 -161842.9705 -109626.3934 298.3004 -99.9793 -68.0002 760635.6500 -10.6649 -10.5188 PRESSURE: 3581200 -231.781 -36.2739 -141.326 -36.2738 152.321 12.6937 -141.326 12.6918 -78.9112 GPRESSURE: 3581200 -108.635 -31.2213 -200.519 -51.2055 43.7585 45.2643 -85.3707 44.2459 -19.4912 PRESSAVG: 3581200 -5.94459 -14.8404 11.1158 -14.8404 23.0123 13.3392 11.1159 13.339 16.274 GPRESSAVG: 3581200 -5.84697 -13.4665 10.3265 -15.3879 23.1397 14.2015 12.4624 12.7482 15.9786 TIMING: 3581200 CPU: 11440.3, 0.00400946/step Wall: 11440.3, 0.00400946/step, 1.58017 hours remaining, 232.351562 MB of memory in use. ENERGY: 3581200 3907.2732 20364.5266 14460.6522 255.6308 -203723.6248 2791.4154 0.0000 0.0000 51891.5619 -110052.5646 298.2215 -161944.1266 -109693.9535 298.4800 -52.7903 -28.1224 762937.2037 11.1139 11.0904 PRESSURE: 3581400 -239.822 85.1162 -21.3543 85.1153 33.8962 -8.71687 -21.3538 -8.71686 -225.245 GPRESSURE: 3581400 -180.282 25.0002 -43.6262 62.1773 96.8192 -19.3869 -36.3712 45.7762 -250.072 PRESSAVG: 3581400 -8.94036 -31.8671 -10.344 -31.8672 62.6727 20.9759 -10.3439 20.9759 -18.4735 GPRESSAVG: 3581400 -8.85634 -31.9005 -8.77018 -31.7237 62.9479 20.264 -10.2241 22.4674 -18.753 TIMING: 3581400 CPU: 11441.1, 0.00399551/step Wall: 11441.1, 0.00399551/step, 1.57445 hours remaining, 232.351562 MB of memory in use. ENERGY: 3581400 3884.1320 20394.9967 14506.6052 218.2612 -203452.9239 2382.3978 0.0000 0.0000 52102.3496 -109964.1815 299.4329 -162066.5311 -109596.9622 298.2743 -143.7236 -111.1782 761658.7419 11.7529 11.7795 PRESSURE: 3581600 102.819 -10.9571 -79.722 -10.9582 32.2597 18.892 -79.7224 18.892 85.2214 GPRESSURE: 3581600 172.483 41.927 -140.571 48.6884 33.2478 -1.04486 -196.045 -21.8661 107.315 PRESSAVG: 3581600 9.37522 -3.24868 -42.0046 -3.24867 -41.1343 -45.4069 -42.0047 -45.407 0.200125 GPRESSAVG: 3581600 9.48937 -2.5681 -42.926 -2.06978 -40.4739 -44.5426 -43.2947 -47.8433 -0.204749 TIMING: 3581600 CPU: 11441.9, 0.00400183/step Wall: 11441.9, 0.00400183/step, 1.57672 hours remaining, 232.351562 MB of memory in use. ENERGY: 3581600 3927.2429 20282.4984 14549.1755 242.1007 -203496.1317 2465.4903 0.0000 0.0000 52142.6582 -109886.9658 299.6646 -162029.6240 -109521.9224 299.1040 73.4333 104.3484 761811.7105 -10.5197 -10.3964 PRESSURE: 3581800 86.8834 -115.813 115.413 -115.813 -27.9687 195.828 115.413 195.828 -286.956 GPRESSURE: 3581800 24.6472 -98.6847 183.975 -38.9883 -4.80649 282.525 240.117 238.333 -162.812 PRESSAVG: 3581800 0.0631667 -59.1938 42.6178 -59.1938 -0.686998 -10.2968 42.6178 -10.2968 -19.4871 GPRESSAVG: 3581800 -0.189996 -60.4767 42.5853 -58.9524 -2.12553 -8.80115 44.3785 -9.62341 -18.2133 TIMING: 3581800 CPU: 11442.7, 0.00399305/step Wall: 11442.7, 0.00399305/step, 1.57304 hours remaining, 232.351562 MB of memory in use. ENERGY: 3581800 3954.0488 20347.9689 14479.1747 259.1506 -203111.2814 2182.1517 0.0000 0.0000 51890.8577 -109997.9289 298.2175 -161888.7867 -109652.4397 298.2078 -76.0139 -47.6570 761592.8427 -6.7036 -6.8430 PRESSURE: 3582000 18.7195 7.68919 -49.9737 7.68894 184.871 -266.029 -49.9738 -266.03 -256.267 GPRESSURE: 3582000 47.6961 -14.6372 -71.3753 -63.1379 154.071 -338.687 -33.6412 -166.119 -146.02 PRESSAVG: 3582000 -18.4696 -39.0179 35.6493 -39.0179 -25.1656 54.1537 35.6493 54.1536 5.59562 GPRESSAVG: 3582000 -19.6115 -39.9512 35.7261 -38.2645 -24.4327 53.1873 33.9696 54.1579 6.24935 TIMING: 3582000 CPU: 11443.5, 0.00400404/step Wall: 11443.5, 0.00400404/step, 1.57715 hours remaining, 232.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3582000 3932.7784 20364.9242 14472.3494 230.5876 -203460.3966 2384.7044 0.0000 0.0000 52081.8412 -109993.2113 299.3151 -162075.0524 -109627.9348 297.8830 -17.5587 18.5823 760816.2396 -12.6799 -12.5983 PRESSURE: 3582200 -202.564 63.776 -107.061 63.7763 -264.609 64.6016 -107.061 64.6031 -415.924 GPRESSURE: 3582200 -145.364 32.3881 -93.491 -49.9908 -242.405 -3.86417 -52.6393 -12.4233 -422.116 PRESSAVG: 3582200 21.0293 -51.1309 -35.3543 -51.131 -31.7237 22.5768 -35.3543 22.5767 -2.25872 GPRESSAVG: 3582200 21.9285 -51.0754 -35.7592 -51.2385 -31.6634 20.8557 -32.535 21.3455 -2.74712 TIMING: 3582200 CPU: 11444.3, 0.00399871/step Wall: 11444.3, 0.00399871/step, 1.57483 hours remaining, 232.351562 MB of memory in use. ENERGY: 3582200 3896.1023 20310.7185 14446.5451 251.8510 -203186.5191 2278.4474 0.0000 0.0000 51999.1644 -110003.6903 298.8399 -162002.8546 -109644.4378 298.2063 -294.3656 -269.9617 762048.3362 -4.3177 -4.1607 PRESSURE: 3582400 -71.4301 -245.148 -34.5515 -245.147 303.724 -0.553096 -34.5505 -0.551178 -257.066 GPRESSURE: 3582400 62.5358 -125.696 -79.6136 -104.683 178.858 92.7236 46.5275 56.1547 -192.195 PRESSAVG: 3582400 71.5579 -9.71171 37.3765 -9.71176 -32.4637 -20.1671 37.3765 -20.167 9.5751 GPRESSAVG: 3582400 72.9892 -9.0265 37.897 -11.4967 -34.5994 -15.9131 36.2201 -19.9283 9.71417 TIMING: 3582400 CPU: 11445.1, 0.0039846/step Wall: 11445.1, 0.0039846/step, 1.56905 hours remaining, 232.351562 MB of memory in use. ENERGY: 3582400 3912.1760 20436.5129 14425.3003 238.7345 -203626.5255 2878.0501 0.0000 0.0000 51770.7418 -109965.0100 297.5272 -161735.7517 -109592.3110 297.9724 -8.2574 16.3994 761956.0537 16.2231 16.0346 PRESSURE: 3582600 81.7057 -171.091 79.7835 -171.091 -316.431 -73.3257 79.7828 -73.3254 -45.1344 GPRESSURE: 3582600 56.9638 -116.281 40.6821 -255.08 -252.41 -30.3897 128.181 33.5775 -3.84906 PRESSAVG: 3582600 55.6726 10.9457 -28.3364 10.9457 -57.5242 -29.699 -28.3364 -29.699 -9.16801 GPRESSAVG: 3582600 54.1951 10.4512 -28.0485 11.0234 -56.1109 -30.5227 -28.6265 -27.7086 -9.38033 TIMING: 3582600 CPU: 11445.9, 0.00399847/step Wall: 11445.9, 0.00399847/step, 1.57428 hours remaining, 232.492188 MB of memory in use. ENERGY: 3582600 3895.2556 20278.8003 14452.7831 238.5579 -203414.4126 2574.7355 0.0000 0.0000 51905.5124 -110068.7678 298.3017 -161974.2802 -109706.6909 297.5989 -93.2865 -66.4318 762095.6207 -3.6732 -3.7654 PRESSURE: 3582800 35.8499 156.31 226.176 156.31 -356.013 31.724 226.177 31.7251 -164.553 GPRESSURE: 3582800 58.0938 146.713 187.078 180.98 -273.099 49.9941 261.151 72.3921 -160.026 PRESSAVG: 3582800 32.8004 15.1718 -19.0903 15.1718 -11.6723 -30.7912 -19.0903 -30.7913 -3.51164 GPRESSAVG: 3582800 33.3947 14.3271 -19.9128 18.2984 -11.4398 -31.9889 -17.8616 -31.6919 -3.5509 TIMING: 3582800 CPU: 11446.7, 0.00401367/step Wall: 11446.7, 0.00401367/step, 1.58005 hours remaining, 232.492188 MB of memory in use. ENERGY: 3582800 3948.9417 20441.8234 14443.4164 259.4315 -203159.1672 2330.4297 0.0000 0.0000 51715.3468 -110019.7778 297.2088 -161735.1246 -109668.0418 298.2632 -161.5722 -125.0102 762351.7071 5.8722 6.1347 PRESSURE: 3583000 149.061 -230.293 12.2858 -230.294 206.45 48.196 12.2858 48.1965 49.8798 GPRESSURE: 3583000 272.363 -216.224 22.3435 -140.869 144.184 -64.4832 -59.8286 -37.8347 81.5731 PRESSAVG: 3583000 8.89472 -30.665 -7.29953 -30.665 -0.884153 17.0541 -7.29958 17.0541 -8.17275 GPRESSAVG: 3583000 8.40193 -30.7764 -6.39074 -31.9942 -1.19574 17.198 -6.65849 15.9901 -7.15611 TIMING: 3583000 CPU: 11447.5, 0.00403658/step Wall: 11447.5, 0.00403658/step, 1.58884 hours remaining, 232.492188 MB of memory in use. ENERGY: 3583000 3983.9986 20386.5769 14514.4013 232.5209 -203543.9388 2748.7721 0.0000 0.0000 51855.0987 -109822.5702 298.0120 -161677.6689 -109461.6003 298.1500 135.1302 166.0401 759593.1691 -0.0541 0.0167 PRESSURE: 3583200 -19.7274 305.011 -179.275 305.011 67.0448 89.8925 -179.275 89.894 -248.177 GPRESSURE: 3583200 -48.6132 241.065 -256.007 234.422 153.251 61.6943 -165.59 5.70886 -211.366 PRESSAVG: 3583200 26.136 17.8682 -9.10975 17.8683 -10.2825 -61.9444 -9.10973 -61.9442 21.1773 GPRESSAVG: 3583200 26.3539 20.2108 -9.05621 15.1602 -10.8503 -61.0976 -12.3717 -62.5955 21.3357 TIMING: 3583200 CPU: 11448.3, 0.00399988/step Wall: 11448.3, 0.00399988/step, 1.57418 hours remaining, 232.492188 MB of memory in use. ENERGY: 3583200 3979.8131 20406.1096 14487.9253 250.7371 -203327.1508 2394.2742 0.0000 0.0000 52064.2313 -109744.0601 299.2139 -161808.2914 -109373.8097 298.6010 -66.9530 -35.5761 760042.7889 12.3436 12.2798 PRESSURE: 3583400 188.916 59.8235 -198.89 59.8237 -194.654 -27.9877 -198.889 -27.988 -293.079 GPRESSURE: 3583400 101.584 51.1081 -310.456 -5.30896 7.90181 -46.5732 -35.9537 -54.9426 -292.911 PRESSAVG: 3583400 -16.5905 30.0471 -12.1825 30.047 37.0899 -33.3786 -12.1825 -33.3786 12.4273 GPRESSAVG: 3583400 -17.6423 26.6693 -14.9594 30.6109 40.0581 -34.5734 -9.25632 -32.0115 10.9875 TIMING: 3583400 CPU: 11449.1, 0.00398834/step Wall: 11449.1, 0.00398834/step, 1.56941 hours remaining, 232.492188 MB of memory in use. ENERGY: 3583400 3982.3203 20364.3455 14550.6139 270.4705 -203166.7395 2337.8821 0.0000 0.0000 52252.3565 -109408.7506 300.2950 -161661.1072 -109049.5151 299.2033 -99.6055 -61.1415 761941.6740 10.9755 11.1345 PRESSURE: 3583600 470.232 118.03 -135.022 118.03 224.882 278.904 -135.022 278.903 -11.0519 GPRESSURE: 3583600 448.893 110.645 -192.835 191.428 310.453 251.277 -72.8899 256.095 -0.353612 PRESSAVG: 3583600 -4.18866 27.5966 5.09273 27.5966 -18.1918 17.0403 5.09276 17.0403 9.73491 GPRESSAVG: 3583600 -2.9315 28.1426 6.3841 27.5394 -20.1508 16.008 4.57101 18.2082 10.4267 TIMING: 3583600 CPU: 11449.9, 0.00401216/step Wall: 11449.9, 0.00401216/step, 1.57856 hours remaining, 232.492188 MB of memory in use. ENERGY: 3583600 3942.8481 20554.2924 14538.4935 233.7210 -203131.5809 2559.8039 0.0000 0.0000 51941.4995 -109360.9226 298.5085 -161302.4221 -109005.0138 299.6214 228.0209 252.9975 761228.2295 -4.2152 -4.2185 PRESSURE: 3583800 397.339 -132.122 -72.956 -132.122 318.468 61.7952 -72.9573 61.7945 348.021 GPRESSURE: 3583800 505.137 -164.956 -194.915 -188.248 272.921 40.5813 -131.646 109.097 364.435 PRESSAVG: 3583800 -5.49514 16.5246 -6.93809 16.5246 -6.45241 0.584078 -6.93813 0.584129 -2.58444 GPRESSAVG: 3583800 -6.14114 17.7743 -6.01347 17.323 -6.03392 1.16928 -5.68012 -0.924239 -2.72134 TIMING: 3583800 CPU: 11450.7, 0.00401154/step Wall: 11450.7, 0.00401154/step, 1.5781 hours remaining, 232.492188 MB of memory in use. ENERGY: 3583800 3939.6832 20460.1508 14451.9122 239.5053 -203371.2967 2662.1555 0.0000 0.0000 52334.5177 -109283.3720 300.7672 -161617.8897 -108917.7730 299.8471 354.6093 380.8312 761159.7688 -4.8440 -4.9655 PRESSURE: 3584000 -130.91 55.5261 69.6154 55.5266 186.928 201.859 69.6155 201.858 -370.65 GPRESSURE: 3584000 -137.988 22.5607 29.9806 104.743 168.179 218.332 -19.3864 134.478 -282.823 PRESSAVG: 3584000 -7.17339 13.2272 22.6871 13.2271 17.876 13.5056 22.6871 13.5056 -14.9714 GPRESSAVG: 3584000 -7.37014 13.8248 21.7128 12.5577 17.8375 13.4319 20.4156 13.7488 -14.4566 TIMING: 3584000 CPU: 11451.5, 0.00400027/step Wall: 11451.5, 0.00400027/step, 1.57344 hours remaining, 232.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3584000 3996.6076 20569.6734 14523.4785 245.7119 -203312.1284 2572.5252 0.0000 0.0000 51945.9674 -109458.1643 298.5342 -161404.1317 -109098.7380 299.5103 -104.8773 -84.2106 761146.7403 -1.4229 -1.3297 PRESSURE: 3584200 -138.744 111.7 50.0878 111.699 -283.905 28.9386 50.087 28.9393 -531.658 GPRESSURE: 3584200 -247.561 45.223 86.2147 157.05 -207.515 69.0111 -38.8889 139.777 -437.187 PRESSAVG: 3584200 -0.405872 -50.84 27.9498 -50.8399 -5.60329 -23.369 27.9498 -23.369 3.04101 GPRESSAVG: 3584200 -0.389738 -54.2937 29.0694 -50.7553 -6.04969 -23.0824 27.5272 -23.0805 3.66486 TIMING: 3584200 CPU: 11452.3, 0.00398645/step Wall: 11452.3, 0.00398645/step, 1.56778 hours remaining, 232.492188 MB of memory in use. ENERGY: 3584200 4143.7641 20526.5158 14502.1039 254.5229 -203392.4249 2668.3935 0.0000 0.0000 51861.8921 -109435.2325 298.0510 -161297.1247 -109070.4046 299.0331 -318.1022 -297.4211 762040.8004 -0.9894 -0.9249 LDB: ============= START OF LOAD BALANCING ============== 11464.8 LDB: ============== END OF LOAD BALANCING =============== 11464.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11464.8 LDB: ============= START OF LOAD BALANCING ============== 11465.2 LDB: Largest compute 7067 load 0.032634 is 16.9% of average load 0.193363 LDB: Average compute 0.004432 is 2.3% of average load 0.193363 LDB: TIME 11465.2 LOAD: AVG 0.193363 MAX 0.21248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.082 MB LDB: TIME 11465.2 LOAD: AVG 0.193363 MAX 0.21248 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: TIME 11465.2 LOAD: AVG 0.193363 MAX 0.21248 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: ============== END OF LOAD BALANCING =============== 11465.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11465.2 PRESSURE: 3584400 -243.191 -62.7506 -286.936 -62.7517 41.8141 107.046 -286.936 107.045 -110.768 GPRESSURE: 3584400 -123.365 29.5342 -300.473 -73.5645 -25.1145 146.353 -188.961 49.1978 -103.88 PRESSAVG: 3584400 38.8595 -32.9462 13.9256 -32.9462 -15.3772 -1.74211 13.9256 -1.74221 -12.8832 GPRESSAVG: 3584400 38.2582 -28.6336 13.1543 -34.9557 -15.5312 -0.754018 15.3528 -1.45375 -12.2774 TIMING: 3584400 CPU: 11453.1, 0.00408272/step Wall: 11453.1, 0.00408272/step, 1.60541 hours remaining, 231.945312 MB of memory in use. ENERGY: 3584400 4017.2254 20596.4047 14454.6661 254.6931 -203346.9209 2447.1672 0.0000 0.0000 51924.6997 -109652.0648 298.4120 -161576.7645 -109304.9188 299.4375 -104.0483 -84.1198 761895.7410 3.5330 3.4832 PRESSURE: 3584600 -174.762 -23.4898 -92.7036 -23.4893 -36.5419 53.5538 -92.7038 53.5538 265.317 GPRESSURE: 3584600 -81.5429 8.77768 -130.056 -76.9982 2.5068 -15.5465 -42.6674 109.103 224.703 PRESSAVG: 3584600 36.1053 -2.88073 -11.1567 -2.88066 -36.2788 -14.812 -11.1566 -14.812 -3.92304 GPRESSAVG: 3584600 37.6558 -5.15523 -9.98238 -3.15134 -35.234 -16.3836 -11.8756 -13.6933 -6.04489 TIMING: 3584600 CPU: 11453.9, 0.00405323/step Wall: 11453.9, 0.00405323/step, 1.59359 hours remaining, 231.945312 MB of memory in use. ENERGY: 3584600 3947.3822 20598.5234 14492.7897 239.9392 -203584.7255 2589.5900 0.0000 0.0000 51758.1102 -109958.3908 297.4546 -161716.5010 -109606.6610 298.3819 18.0042 48.5557 762467.3755 -1.3655 -1.2077 PRESSURE: 3584800 -28.6074 -191.058 13.2541 -191.059 -121.828 -29.966 13.2541 -29.9666 434.111 GPRESSURE: 3584800 46.838 -236.092 15.3518 -170.498 -39.9428 -22.3516 52.6306 60.8389 366.562 PRESSAVG: 3584800 21.4841 -0.953032 -7.26257 -0.952991 -45.5192 -24.9732 -7.26257 -24.9732 15.9625 GPRESSAVG: 3584800 20.7792 0.0105067 -7.76183 1.78276 -45.7186 -23.4136 -7.22908 -25.9883 16.4528 TIMING: 3584800 CPU: 11454.7, 0.0040152/step Wall: 11454.7, 0.0040152/step, 1.57842 hours remaining, 231.945312 MB of memory in use. ENERGY: 3584800 4000.6401 20572.9727 14427.5436 251.2274 -203427.7493 2727.1251 0.0000 0.0000 51834.1556 -109614.0846 297.8916 -161448.2403 -109262.7624 298.6415 94.5586 124.4856 763515.7839 -2.6909 -2.8289 PRESSURE: 3585000 102.764 146.313 -263.105 146.313 -84.8743 121.229 -263.105 121.229 -168.938 GPRESSURE: 3585000 106.148 25.111 -186.751 45.0575 -97.096 12.6158 -293.569 135.676 -78.1063 PRESSAVG: 3585000 62.2356 -55.9029 5.05267 -55.9028 -36.3419 23.4644 5.05261 23.4644 -20.5906 GPRESSAVG: 3585000 61.6857 -58.561 4.84778 -55.3197 -36.0527 23.405 8.19242 22.9137 -20.3691 TIMING: 3585000 CPU: 11455.5, 0.00403122/step Wall: 11455.5, 0.00403122/step, 1.58449 hours remaining, 231.945312 MB of memory in use. ENERGY: 3585000 3960.1964 20809.2218 14475.5034 242.7001 -203633.8717 2753.2568 0.0000 0.0000 52035.1629 -109357.8304 299.0468 -161392.9933 -108994.5715 299.3387 -50.3495 -23.0181 762453.9361 1.7677 1.7546 PRESSURE: 3585200 312.976 -27.6203 -240.773 -27.6213 -196.954 151.331 -240.773 151.33 -164.068 GPRESSURE: 3585200 325.813 -34.7095 -225.06 -58.6611 -152.839 133.604 -163.788 180.753 -120.366 PRESSAVG: 3585200 16.4822 -37.9912 -32.8768 -37.9912 -61.3161 39.6907 -32.8768 39.6907 -18.2577 GPRESSAVG: 3585200 17.4494 -36.5423 -32.7049 -39.1812 -62.3741 40.271 -35.8798 39.9864 -18.2464 TIMING: 3585200 CPU: 11456.3, 0.00403863/step Wall: 11456.3, 0.00403863/step, 1.58718 hours remaining, 231.945312 MB of memory in use. ENERGY: 3585200 4008.0900 20605.0024 14486.1217 249.7447 -203272.8621 2547.6938 0.0000 0.0000 52038.0138 -109338.1957 299.0632 -161376.2095 -108974.6283 299.4513 -16.0154 17.5361 761557.2668 -21.0305 -21.0570 PRESSURE: 3585400 -163.304 -41.0909 -26.691 -41.0914 194.994 -198.094 -26.6906 -198.094 292.64 GPRESSURE: 3585400 -41.8633 52.6019 -31.0411 60.1313 191.671 -175.762 -0.296358 -113.987 256.989 PRESSAVG: 3585400 73.9754 -13.9343 -50.5642 -13.9343 -45.4856 30.4588 -50.5642 30.4588 -7.22087 GPRESSAVG: 3585400 74.8568 -14.1618 -50.4214 -13.1944 -45.7517 29.4858 -49.5429 29.5762 -8.11076 TIMING: 3585400 CPU: 11457.1, 0.00403163/step Wall: 11457.1, 0.00403163/step, 1.58421 hours remaining, 231.945312 MB of memory in use. ENERGY: 3585400 3963.4724 20674.3883 14500.0526 240.7524 -203519.5211 2574.7429 0.0000 0.0000 52269.4369 -109296.6755 300.3932 -161566.1124 -108944.4044 300.0551 108.1102 135.5990 759299.0039 7.0897 6.9981 PRESSURE: 3585600 337.793 -32.5473 94.0056 -32.5466 -90.5083 50.0648 94.0055 50.0642 34.2455 GPRESSURE: 3585600 294.7 57.8706 79.1798 -34.7919 -4.62168 84.8961 31.795 114.995 80.2153 PRESSAVG: 3585600 44.1821 16.713 -4.44916 16.713 -42.3345 -5.19525 -4.44911 -5.19526 10.7622 GPRESSAVG: 3585600 41.8721 18.3071 -3.56787 15.4136 -40.9434 -5.59131 -7.63788 -5.54676 11.3859 TIMING: 3585600 CPU: 11457.9, 0.00401406/step Wall: 11457.9, 0.00401406/step, 1.57708 hours remaining, 231.945312 MB of memory in use. ENERGY: 3585600 3925.4956 20630.7999 14495.5691 249.5609 -203469.5879 2770.4779 0.0000 0.0000 52218.5327 -109179.1519 300.1006 -161397.6846 -108823.5871 300.3883 93.8433 123.4312 760667.6383 4.2033 4.1049 PRESSURE: 3585800 -190.937 -150.231 87.1703 -150.231 65.0335 -272.773 87.1692 -272.773 -17.8051 GPRESSURE: 3585800 -94.3786 -128.825 24.2977 -270.619 68.8399 -185.873 145.006 -127.648 -15.7016 PRESSAVG: 3585800 49.5883 -25.1828 17.0956 -25.1828 -28.4851 -9.52236 17.0955 -9.52231 -5.82517 GPRESSAVG: 3585800 50.5916 -25.4829 16.2703 -25.3506 -28.7235 -9.10298 19.7302 -8.98572 -7.15347 TIMING: 3585800 CPU: 11458.7, 0.004021/step Wall: 11458.7, 0.004021/step, 1.57958 hours remaining, 231.945312 MB of memory in use. ENERGY: 3585800 3978.1400 20572.7114 14485.8509 249.0411 -203240.2416 2516.2758 0.0000 0.0000 52118.9086 -109319.3139 299.5281 -161438.2225 -108963.3434 300.0900 -47.9029 -13.7467 762370.3596 5.0927 4.9049 PRESSURE: 3586000 133.992 -18.0185 -40.9084 -18.0185 149.949 63.0896 -40.9083 63.0888 -160.154 GPRESSURE: 3586000 77.574 34.6959 27.798 -3.68121 215.031 70.173 -14.7204 54.5455 -68.8395 PRESSAVG: 3586000 -19.2539 -24.9105 15.688 -24.9105 -55.2216 3.38617 15.6881 3.38627 1.66516 GPRESSAVG: 3586000 -19.5654 -27.0549 16.1407 -24.3244 -55.9416 2.37183 14.9368 2.20963 2.7859 TIMING: 3586000 CPU: 11459.5, 0.00405111/step Wall: 11459.5, 0.00405111/step, 1.59119 hours remaining, 231.945312 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: 3586000 3948.0059 20682.5639 14510.5725 259.0909 -203306.4312 2633.0249 0.0000 0.0000 51954.1761 -109318.9970 298.5814 -161273.1730 -108958.3829 299.6670 41.2620 74.5886 760614.1356 -24.2701 -24.2403 PRESSURE: 3586200 -16.0209 -44.0621 -244.62 -44.0622 226.283 35.9311 -244.62 35.9312 222.006 GPRESSURE: 3586200 22.1717 0.00513438 -241.481 -38.7578 245.503 45.526 -200.568 -3.351 237.987 PRESSAVG: 3586200 39.2724 -35.859 -8.25953 -35.859 -0.301677 33.4063 -8.25955 33.4063 14.2603 GPRESSAVG: 3586200 39.2854 -34.4805 -8.85599 -34.4757 -0.433715 33.6443 -7.0458 36.3244 14.6348 TIMING: 3586200 CPU: 11460.3, 0.00402474/step Wall: 11460.3, 0.00402474/step, 1.5806 hours remaining, 232.085938 MB of memory in use. ENERGY: 3586200 3928.5971 20719.4272 14527.2410 241.9871 -203227.8841 2452.9928 0.0000 0.0000 51986.5740 -109371.0649 298.7676 -161357.6389 -109016.1825 299.8931 144.0895 168.5540 759484.2591 17.7437 17.8288 PRESSURE: 3586400 144.234 -165.369 -226.836 -165.368 94.1775 -106.626 -226.835 -106.624 -83.6529 GPRESSURE: 3586400 149.368 -117.371 -202.221 -180.765 134.92 -73.8227 -173.887 -233.324 -44.0433 PRESSAVG: 3586400 92.1392 5.07427 -28.212 5.07425 -70.2466 37.2871 -28.212 37.2872 -1.50824 GPRESSAVG: 3586400 93.194 2.45423 -28.0948 3.91839 -70.1047 38.0995 -30.5766 34.4242 -2.8321 TIMING: 3586400 CPU: 11461.1, 0.00401103/step Wall: 11461.1, 0.00401103/step, 1.575 hours remaining, 232.085938 MB of memory in use. ENERGY: 3586400 3984.2304 20570.0941 14463.9050 249.6588 -203638.6239 2652.5948 0.0000 0.0000 52265.1117 -109453.0290 300.3683 -161718.1407 -109086.1040 299.6150 51.5863 80.0814 759774.8416 6.7948 6.7524 PRESSURE: 3586600 -99.697 -37.8107 -10.3997 -37.8108 108.752 -9.29536 -10.3995 -9.29507 158.376 GPRESSURE: 3586600 -33.685 -74.7397 -51.6537 104.303 118.913 -68.2588 14.4881 60.7744 177.925 PRESSAVG: 3586600 70.6485 -29.8242 1.62065 -29.8242 -48.8847 13.1338 1.62065 13.1338 -37.7863 GPRESSAVG: 3586600 69.3866 -27.3588 0.275808 -29.5463 -48.6392 10.9682 4.72861 16.1717 -36.5763 TIMING: 3586600 CPU: 11462, 0.0040393/step Wall: 11462, 0.0040393/step, 1.58588 hours remaining, 232.289062 MB of memory in use. ENERGY: 3586600 3973.2922 20505.4076 14553.8724 240.5440 -203100.2900 2366.5006 0.0000 0.0000 52030.3749 -109430.2983 299.0193 -161460.6732 -109062.4243 299.9468 55.8102 87.7175 759130.5529 -5.3408 -5.2763 PRESSURE: 3586800 -155.972 60.9338 179.754 60.9347 -56.2777 -229.391 179.754 -229.391 -35.2743 GPRESSURE: 3586800 -136.104 224.888 183.32 35.4662 -35.8201 -260.592 53.1235 -267.933 5.7303 PRESSAVG: 3586800 61.7876 -31.9618 -1.83715 -31.9617 -45.4379 8.90719 -1.83712 8.90713 -21.7175 GPRESSAVG: 3586800 61.5469 -33.6347 -1.07314 -31.6932 -45.3182 9.74251 -3.95829 6.30294 -21.1588 TIMING: 3586800 CPU: 11462.8, 0.00403809/step Wall: 11462.8, 0.00403809/step, 1.58517 hours remaining, 232.289062 MB of memory in use. ENERGY: 3586800 3943.3011 20562.4892 14582.4610 262.8363 -203303.9179 2420.7178 0.0000 0.0000 51994.7795 -109537.3330 298.8147 -161532.1125 -109179.5993 299.3604 -82.5081 -55.3979 760911.2198 -1.7893 -1.6434 PRESSURE: 3587000 205.817 -274.336 -101.498 -274.337 266.384 -45.6677 -101.498 -45.6676 32.1365 GPRESSURE: 3587000 246.696 -288.004 -70.1214 -362.298 243.379 -109.943 -199.385 -77.8248 97.6594 PRESSAVG: 3587000 5.79199 -35.7923 -10.786 -35.7923 -3.06014 -5.52162 -10.786 -5.5216 -3.49488 GPRESSAVG: 3587000 6.88393 -33.0509 -10.6723 -35.6948 -3.26321 -6.73831 -10.7339 -3.575 -4.08815 TIMING: 3587000 CPU: 11463.6, 0.00402429/step Wall: 11463.6, 0.00402429/step, 1.57954 hours remaining, 232.289062 MB of memory in use. ENERGY: 3587000 4053.0065 20498.9031 14402.5243 241.6931 -203313.8303 2504.1248 0.0000 0.0000 51948.1073 -109665.4714 298.5465 -161613.5787 -109287.4476 299.2450 168.1124 195.9116 760761.5729 -0.2543 -0.1558 PRESSURE: 3587200 -135.836 210.689 40.0522 210.689 -65.121 45.2822 40.0522 45.2818 227.322 GPRESSURE: 3587200 -34.1136 226.199 54.0811 218.834 -55.1206 116.499 50.888 152.642 205.225 PRESSAVG: 3587200 30.2244 -11.6391 -76.6595 -11.6391 -15.492 9.24836 -76.6595 9.24838 20.2145 GPRESSAVG: 3587200 31.0357 -13.8433 -76.4741 -11.4702 -16.6053 11.5925 -76.0094 7.43754 19.8765 TIMING: 3587200 CPU: 11464.4, 0.00401612/step Wall: 11464.4, 0.00401612/step, 1.5761 hours remaining, 232.289062 MB of memory in use. ENERGY: 3587200 4032.5652 20547.2334 14474.6115 244.9169 -203399.9004 2265.0159 0.0000 0.0000 52072.6984 -109762.8591 299.2625 -161835.5575 -109406.8800 298.5033 8.7884 38.6637 760611.6792 11.6490 11.4356 PRESSURE: 3587400 158.799 18.9609 -53.4014 18.9603 256.216 -2.97589 -53.401 -2.97609 -238.169 GPRESSURE: 3587400 202.921 125.601 -5.97947 35.0003 258.258 79.2056 -47.4004 -177.381 -205.693 PRESSAVG: 3587400 9.51749 13.5178 -17.8963 13.5178 5.09138 31.8 -17.8963 31.8 -19.3955 GPRESSAVG: 3587400 7.50772 15.2659 -18.4597 12.4091 5.51168 30.5764 -18.238 32.9782 -18.2527 TIMING: 3587400 CPU: 11465.2, 0.00401238/step Wall: 11465.2, 0.00401238/step, 1.57441 hours remaining, 232.289062 MB of memory in use. ENERGY: 3587400 3869.3143 20537.9062 14462.8632 244.6366 -203471.7761 2448.3327 0.0000 0.0000 51854.2195 -110054.5036 298.0069 -161908.7231 -109683.6074 298.4207 58.9486 85.1621 760146.1021 -1.5955 -1.7444 PRESSURE: 3587600 -509.927 22.4235 12.9438 22.4226 135.651 247.867 12.9439 247.867 -129.874 GPRESSURE: 3587600 -370.701 66.5309 78.275 3.75763 83.442 246.681 -4.34006 95.401 -132.785 PRESSAVG: 3587600 -42.9459 19.1068 14.0316 19.1068 -6.06686 25.5425 14.0315 25.5425 -19.6512 GPRESSAVG: 3587600 -41.8212 17.1711 13.92 21.1933 -6.23067 24.9814 14.6935 24.083 -21.0015 TIMING: 3587600 CPU: 11466, 0.00401212/step Wall: 11466, 0.00401212/step, 1.57409 hours remaining, 232.289062 MB of memory in use. ENERGY: 3587600 3927.9788 20344.8542 14505.0044 230.8486 -203133.1878 2151.6189 0.0000 0.0000 51954.8802 -110018.0028 298.5854 -161972.8830 -109642.3045 297.8340 -168.0498 -140.0149 761417.7464 -22.8880 -23.0178 PRESSURE: 3587800 259.716 -80.2292 136.555 -80.2289 -143.878 -125.662 136.553 -125.661 37.0164 GPRESSURE: 3587800 229.034 -161.947 82.5127 -209.72 -16.2151 -56.3879 49.4114 -18.2443 44.7613 PRESSAVG: 3587800 57.3366 -19.6767 57.7867 -19.6767 -21.5714 25.746 57.7867 25.746 9.22975 GPRESSAVG: 3587800 56.3118 -18.061 57.7846 -21.1878 -20.7201 26.4067 58.3635 27.5041 9.71092 TIMING: 3587800 CPU: 11466.8, 0.00401918/step Wall: 11466.8, 0.00401918/step, 1.57663 hours remaining, 232.359375 MB of memory in use. ENERGY: 3587800 4030.2548 20448.2221 14406.2711 235.5546 -203492.1536 2556.0283 0.0000 0.0000 51967.3266 -109848.4961 298.6569 -161815.8227 -109480.4610 298.6342 50.9516 85.8602 759994.5120 14.9983 15.1009 PRESSURE: 3588000 91.5549 -83.9189 -42.5987 -83.9195 -507.759 2.46993 -42.5981 2.47014 -437.41 GPRESSURE: 3588000 42.3116 -80.1886 -30.751 -121.789 -398.567 7.23061 -96.1576 92.703 -407.08 PRESSAVG: 3588000 28.0928 -63.1548 0.746939 -63.1547 -65.1092 22.2788 0.746898 22.2789 -37.2389 GPRESSAVG: 3588000 27.0907 -61.6775 0.207032 -64.1767 -64.8139 21.2675 0.256756 23.3109 -36.5224 TIMING: 3588000 CPU: 11467.6, 0.00400025/step Wall: 11467.6, 0.00400025/step, 1.56899 hours remaining, 232.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3588000 3989.8622 20479.6271 14477.1834 244.6840 -202695.5096 1901.3184 0.0000 0.0000 51899.7911 -109703.0434 298.2688 -161602.8345 -109342.8725 299.2474 -284.5379 -254.4452 761985.3093 -24.7518 -24.7485 PRESSURE: 3588200 1.39092 -397.517 -104.902 -397.518 116.917 -39.1867 -104.901 -39.1869 292.582 GPRESSURE: 3588200 132.408 -305.778 0.779514 -423.859 71.2886 9.4173 -116.189 -80.0496 304.799 PRESSAVG: 3588200 12.4532 -13.3146 14.5409 -13.3147 -6.56022 46.4545 14.5409 46.4545 7.34841 GPRESSAVG: 3588200 14.0689 -14.1878 15.5783 -12.5867 -8.4392 48.3244 13.2159 42.9744 7.49096 TIMING: 3588200 CPU: 11468.4, 0.00400458/step Wall: 11468.4, 0.00400458/step, 1.57046 hours remaining, 232.359375 MB of memory in use. ENERGY: 3588200 3964.0890 20442.7788 14402.2080 252.3447 -203334.4028 2546.0075 0.0000 0.0000 52064.3130 -109662.6617 299.2143 -161726.9747 -109304.6160 299.3577 136.9635 169.4983 761203.5483 4.4138 4.3736 LDB: ============= START OF LOAD BALANCING ============== 11480.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11480.9 LDB: =============== DONE WITH MIGRATION ================ 11480.9 LDB: ============= START OF LOAD BALANCING ============== 11481.3 LDB: Largest compute 7067 load 0.033239 is 17.2% of average load 0.193194 LDB: Average compute 0.004444 is 2.3% of average load 0.193194 LDB: TIME 11481.3 LOAD: AVG 0.193194 MAX 0.215571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 11481.3 LOAD: AVG 0.193194 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: TIME 11481.3 LOAD: AVG 0.193194 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: ============== END OF LOAD BALANCING =============== 11481.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11481.3 PRESSURE: 3588400 156.992 -250.556 96.0564 -250.557 -109.082 1.18297 96.0569 1.18312 -63.9638 GPRESSURE: 3588400 139.872 -186.127 67.3042 -205.257 -39.4854 -47.4934 136.873 10.6958 -38.8997 PRESSAVG: 3588400 -18.5131 -20.3945 -31.0323 -20.3945 -13.9049 -16.3896 -31.0322 -16.3896 14.1373 GPRESSAVG: 3588400 -19.7498 -22.0929 -30.4119 -18.5678 -12.5589 -15.9906 -29.9121 -14.6357 13.5414 TIMING: 3588400 CPU: 11469.2, 0.00409842/step Wall: 11469.2, 0.00409842/step, 1.60704 hours remaining, 235.109375 MB of memory in use. ENERGY: 3588400 3972.0898 20469.4256 14482.7950 269.1182 -203289.1469 2585.5305 0.0000 0.0000 52015.0787 -109495.1090 298.9314 -161510.1878 -109140.2528 299.4752 -5.3514 20.4958 761638.3999 -6.0936 -6.2558 PRESSURE: 3588600 101.859 274.153 -67.0911 274.153 39.1318 -271.624 -67.0916 -271.624 162.089 GPRESSURE: 3588600 194.748 289.451 -112.022 285.796 14.537 -275.296 -26.2795 -133.349 196.879 PRESSAVG: 3588600 1.7434 58.6063 -20.1219 58.6063 -27.427 33.3097 -20.1219 33.3097 -7.57893 GPRESSAVG: 3588600 3.23035 60.3263 -21.9263 55.5394 -28.9327 33.912 -19.7205 33.5185 -7.36224 TIMING: 3588600 CPU: 11470, 0.00401934/step Wall: 11470, 0.00401934/step, 1.57581 hours remaining, 235.179688 MB of memory in use. ENERGY: 3588600 3985.5341 20678.6242 14528.9724 249.2373 -203396.9567 2514.4952 0.0000 0.0000 51886.5321 -109553.5615 298.1926 -161440.0936 -109198.5425 299.7562 101.0267 135.3879 758927.1600 -11.0875 -11.0215 PRESSURE: 3588800 -104.781 130.147 -63.4394 130.146 -185.44 20.4204 -63.4406 20.4203 -111.042 GPRESSURE: 3588800 -88.6103 136.443 -1.75283 35.7529 -142.854 20.6426 5.59504 -83.7271 -86.8627 PRESSAVG: 3588800 37.7569 17.7613 -7.64592 17.7613 -49.0484 8.12385 -7.64598 8.12383 17.3186 GPRESSAVG: 3588800 37.1784 16.5464 -5.74918 19.3171 -47.7309 5.62727 -8.13595 9.05695 16.977 TIMING: 3588800 CPU: 11470.8, 0.00399518/step Wall: 11470.8, 0.00399518/step, 1.56611 hours remaining, 235.179688 MB of memory in use. ENERGY: 3588800 3956.0943 20491.6254 14409.9370 240.3506 -203188.7568 2237.2698 0.0000 0.0000 52192.0026 -109661.4771 299.9482 -161853.4797 -109291.6573 298.6848 -133.7543 -106.1089 761154.1387 2.0090 2.1415 PRESSURE: 3589000 -370.754 -164.724 361.728 -164.724 -208.411 -257.237 361.729 -257.238 -191.316 GPRESSURE: 3589000 -258.926 16.7969 316.371 22.2221 -178.198 -177.364 291.026 -98.2971 -253.764 PRESSAVG: 3589000 44.6532 33.7183 19.0761 33.7184 -41.0569 -12.733 19.076 -12.733 -19.4778 GPRESSAVG: 3589000 42.8964 34.5675 18.4227 34.4417 -40.4477 -9.74544 19.9481 -13.2738 -18.9033 TIMING: 3589000 CPU: 11471.6, 0.00400033/step Wall: 11471.6, 0.00400033/step, 1.56791 hours remaining, 235.179688 MB of memory in use. ENERGY: 3589000 4025.1885 20634.9675 14455.3029 241.0161 -203659.1377 2330.0711 0.0000 0.0000 52029.8134 -109942.7783 299.0161 -161972.5917 -109578.8641 299.0738 -256.8271 -230.2962 759453.7510 -5.2939 -5.4849 PRESSURE: 3589200 -256.699 176.007 191.414 176.007 -293.35 -238.204 191.415 -238.206 -81.552 GPRESSURE: 3589200 -118.854 259.841 188.723 140.146 -373.204 -284.332 214.505 -257.01 -52.9197 PRESSAVG: 3589200 -13.0113 -21.9074 -9.65283 -21.9075 -10.9635 -37.4741 -9.65288 -37.4742 -11.5077 GPRESSAVG: 3589200 -10.9021 -24.2673 -10.4105 -20.911 -12.9439 -40.0428 -10.4148 -36.8819 -11.7713 TIMING: 3589200 CPU: 11472.4, 0.00404767/step Wall: 11472.4, 0.00404767/step, 1.58624 hours remaining, 235.437500 MB of memory in use. ENERGY: 3589200 4035.3015 20555.3110 14400.2257 245.3043 -203380.7424 2404.8867 0.0000 0.0000 51920.8248 -109818.8884 298.3897 -161739.7132 -109462.3155 298.6871 -210.5338 -181.6591 761125.2664 -11.8275 -11.8724 PRESSURE: 3589400 -179.765 102.486 -109.634 102.485 -84.9857 115.834 -109.633 115.832 483.201 GPRESSURE: 3589400 -100.232 64.9188 -102.996 97.2571 -14.2705 183.359 -142.276 175.846 416.43 PRESSAVG: 3589400 -62.4296 12.5603 -0.388059 12.5603 60.0175 -7.51856 -0.388108 -7.51857 5.65004 GPRESSAVG: 3589400 -63.0243 13.9477 0.487575 13.3139 60.6465 -5.82823 -0.98663 -6.59253 5.50921 TIMING: 3589400 CPU: 11473.2, 0.00406142/step Wall: 11473.2, 0.00406142/step, 1.5914 hours remaining, 235.437500 MB of memory in use. ENERGY: 3589400 4067.8751 20547.6210 14384.0084 250.9054 -203899.4695 2725.9547 0.0000 0.0000 52084.8435 -109838.2616 299.3323 -161923.1051 -109479.1008 299.1843 72.8168 100.6427 760070.9284 1.0793 1.0438 PRESSURE: 3589600 118.741 -137.922 -199.887 -137.923 -31.1795 -146.297 -199.887 -146.296 210.474 GPRESSURE: 3589600 202.185 -209.349 -113.982 -130.728 2.02319 -168.177 -158.141 -56.3603 198.794 PRESSAVG: 3589600 -5.06959 -49.0374 -65.5096 -49.0375 3.73131 -28.6254 -65.5096 -28.6254 0.907234 GPRESSAVG: 3589600 -5.60301 -49.3543 -65.5058 -50.5224 4.14502 -27.5675 -65.7942 -30.9402 1.04536 TIMING: 3589600 CPU: 11474, 0.00404433/step Wall: 11474, 0.00404433/step, 1.58448 hours remaining, 235.437500 MB of memory in use. ENERGY: 3589600 3957.6545 20607.1035 14408.4365 235.4519 -203830.2066 2784.0561 0.0000 0.0000 51793.0605 -110044.4435 297.6554 -161837.5040 -109686.5936 298.8159 99.3452 134.3339 759069.3012 -0.1437 -0.1375 PRESSURE: 3589800 -127.442 -20.2198 9.70211 -20.2195 3.47801 67.1044 9.70225 67.1043 -669.03 GPRESSURE: 3589800 -137.327 32.1116 -40.9073 -4.40987 45.5031 65.9569 -20.6204 27.8403 -622.546 PRESSAVG: 3589800 6.20982 -18.1899 -27.2708 -18.1899 -25.4047 -11.8438 -27.2708 -11.8437 -19.0547 GPRESSAVG: 3589800 5.64171 -17.5162 -27.5039 -19.7014 -24.4762 -13.6546 -26.8355 -12.2915 -18.9245 TIMING: 3589800 CPU: 11474.8, 0.00401628/step Wall: 11474.8, 0.00401628/step, 1.57327 hours remaining, 235.437500 MB of memory in use. ENERGY: 3589800 3993.9430 20568.9167 14486.8628 253.3834 -203616.9334 2482.3967 0.0000 0.0000 52047.6011 -109783.8298 299.1183 -161831.4309 -109414.0820 298.8686 -264.3316 -238.1235 760539.2774 -12.7499 -12.5863 PRESSURE: 3590000 121.231 109.895 -85.2082 109.895 -86.5286 403.827 -85.2084 403.828 5.05624 GPRESSURE: 3590000 228.114 65.8416 -119.434 118.64 -143.54 303.355 67.7279 313.609 42.9182 PRESSAVG: 3590000 59.9104 6.33467 19.0479 6.3347 -72.2108 -24.5204 19.0478 -24.5203 0.313434 GPRESSAVG: 3590000 59.9079 5.95001 18.7221 8.37503 -73.1836 -26.1327 18.8012 -22.1154 0.829174 TIMING: 3590000 CPU: 11475.6, 0.00403504/step Wall: 11475.6, 0.00403504/step, 1.58039 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3590000 4012.7734 20583.2825 14562.0651 226.3702 -203961.2162 2688.1559 0.0000 0.0000 52180.9785 -109707.5905 299.8848 -161888.5690 -109342.9356 299.3859 13.2528 42.4977 759475.1093 -3.9956 -4.1489 PRESSURE: 3590200 19.5432 -108.218 -64.8042 -108.219 83.4416 -229.512 -64.8045 -229.512 -432.897 GPRESSURE: 3590200 109.924 -173.295 -25.8545 -36.7563 99.6298 -133.533 -123.652 -47.1545 -471.548 PRESSAVG: 3590200 41.8766 -9.02869 25.3895 -9.02858 1.50384 -31.5013 25.3895 -31.5013 18.7097 GPRESSAVG: 3590200 42.2889 -9.15726 25.8855 -9.95803 1.64446 -30.6784 25.3807 -33.757 18.1991 TIMING: 3590200 CPU: 11476.4, 0.00403487/step Wall: 11476.4, 0.00403487/step, 1.5801 hours remaining, 235.437500 MB of memory in use. ENERGY: 3590200 4081.2963 20695.4011 14505.0924 248.2510 -203605.9083 2542.3472 0.0000 0.0000 51990.3123 -109543.2081 298.7890 -161533.5204 -109191.0045 299.1079 -109.9707 -87.3314 761452.0995 20.6967 20.7108 PRESSURE: 3590400 3.35859 -77.7244 -62.7183 -77.7258 -224.028 -62.3448 -62.7179 -62.3456 3.18619 GPRESSURE: 3590400 23.5467 -41.119 -45.7091 -105.964 -124.026 -154.808 -74.6251 8.99573 -5.32201 PRESSAVG: 3590400 22.9162 25.8676 -12.0793 25.8676 -76.299 13.2236 -12.0793 13.2237 7.97692 GPRESSAVG: 3590400 23.1587 27.1833 -13.4791 25.957 -76.138 14.1562 -13.2223 14.6035 8.03671 TIMING: 3590400 CPU: 11477.3, 0.00401942/step Wall: 11477.3, 0.00401942/step, 1.57383 hours remaining, 235.437500 MB of memory in use. ENERGY: 3590400 3959.2899 20528.0482 14552.6448 262.3982 -203730.3940 2825.5880 0.0000 0.0000 52173.5897 -109428.8351 299.8423 -161602.4249 -109068.5920 299.7697 -72.4943 -35.2672 762224.5680 -15.1353 -14.9809 PRESSURE: 3590600 146.995 8.86546 -217.725 8.86654 53.268 -313.616 -217.724 -313.615 408.908 GPRESSURE: 3590600 150.976 74.385 -242.836 13.4303 171.239 -288.068 -110.651 -190.723 394.65 PRESSAVG: 3590600 15.2685 5.28729 -74.5819 5.28732 -54.9393 34.7948 -74.5819 34.7948 -7.7902 GPRESSAVG: 3590600 15.1822 1.35233 -72.8787 6.49808 -53.9785 34.2164 -73.7439 35.8911 -8.58695 TIMING: 3590600 CPU: 11478.1, 0.00405145/step Wall: 11478.1, 0.00405145/step, 1.58614 hours remaining, 235.437500 MB of memory in use. ENERGY: 3590600 4006.8175 20507.3568 14503.2587 257.0479 -203754.1718 2792.8101 0.0000 0.0000 52193.0227 -109493.8582 299.9540 -161686.8809 -109135.3190 299.7554 203.0571 238.9552 759952.2162 -15.8203 -15.7944 PRESSURE: 3590800 445.766 -128.954 -46.948 -128.954 -11.0698 142.131 -46.9483 142.132 573.859 GPRESSURE: 3590800 412.943 -89.8404 25.3754 -39.7879 41.3737 198.931 9.76404 143.536 648.572 PRESSAVG: 3590800 81.898 19.6308 -46.2486 19.6308 -61.7942 -1.84093 -46.2485 -1.84086 -12.8053 GPRESSAVG: 3590800 81.6951 21.8922 -45.4237 20.229 -62.8007 -0.941042 -48.2479 -3.38076 -12.0532 TIMING: 3590800 CPU: 11478.9, 0.00404022/step Wall: 11478.9, 0.00404022/step, 1.58152 hours remaining, 235.437500 MB of memory in use. ENERGY: 3590800 4011.3689 20502.2905 14510.9219 236.2920 -203404.9096 2598.0768 0.0000 0.0000 52176.5629 -109369.3965 299.8594 -161545.9594 -109000.1633 299.5151 336.1849 367.6294 758633.8796 2.4328 2.2804 PRESSURE: 3591000 -168.976 239.72 31.1206 239.72 -257.202 62.4743 31.1217 62.4756 -174.181 GPRESSURE: 3591000 -130.56 203.037 52.1413 179.737 -173.541 113.881 -37.3337 88.8718 -209.055 PRESSAVG: 3591000 27.222 -2.77368 -30.4462 -2.77368 -62.285 30.3306 -30.4462 30.3306 14.6524 GPRESSAVG: 3591000 28.1874 -3.95406 -32.3647 -2.3886 -62.1887 28.2469 -27.9455 32.1737 13.5781 TIMING: 3591000 CPU: 11479.7, 0.0040077/step Wall: 11479.7, 0.0040077/step, 1.56857 hours remaining, 235.437500 MB of memory in use. ENERGY: 3591000 4027.3445 20638.4983 14453.6834 267.2339 -203208.4864 2454.3985 0.0000 0.0000 52094.5885 -109272.7393 299.3883 -161367.3278 -108910.1490 300.2628 -200.1196 -171.0518 759387.7088 -6.8035 -6.8077 PRESSURE: 3591200 95.4609 18.0211 10.7369 18.022 -184.052 219.983 10.7364 219.983 -122.357 GPRESSURE: 3591200 129.717 53.9355 -56.5599 0.633249 -171.605 255.716 15.234 251.043 -83.7151 PRESSAVG: 3591200 75.7336 -17.4504 -21.0942 -17.4504 -48.7442 12.9569 -21.0942 12.9569 0.21555 GPRESSAVG: 3591200 73.7498 -16.24 -21.6873 -19.2828 -47.4444 15.3988 -20.5272 11.6259 0.801487 TIMING: 3591200 CPU: 11480.5, 0.00401321/step Wall: 11480.5, 0.00401321/step, 1.5705 hours remaining, 235.437500 MB of memory in use. ENERGY: 3591200 3963.0767 20293.2580 14513.6988 227.4519 -203213.8818 2371.7941 0.0000 0.0000 52105.0424 -109739.5599 299.4484 -161844.6023 -109356.7618 299.7517 -70.3160 -41.8677 760176.8812 9.0683 9.0357 PRESSURE: 3591400 104.329 151.772 106.998 151.772 -60.6516 40.1407 106.998 40.1396 248.204 GPRESSURE: 3591400 140.302 49.0197 86.3514 120.734 -52.0542 -10.6217 85.0014 2.40782 297.057 PRESSAVG: 3591400 57.7633 -24.2989 23.8408 -24.299 -7.24477 46.5621 23.8407 46.5621 -6.00416 GPRESSAVG: 3591400 59.4966 -24.4272 23.6515 -25.0986 -8.61538 44.8461 23.3938 46.5964 -5.46631 TIMING: 3591400 CPU: 11481.3, 0.00399465/step Wall: 11481.3, 0.00399465/step, 1.56302 hours remaining, 235.437500 MB of memory in use. ENERGY: 3591400 3980.2069 20430.6482 14395.2782 240.9398 -203273.0864 2486.8679 0.0000 0.0000 52216.5038 -109522.6415 300.0890 -161739.1453 -109153.0227 299.2229 97.2938 128.4352 760285.4529 14.8381 15.1383 PRESSURE: 3591600 -31.9054 -236.295 52.3503 -236.295 -44.9177 229.5 52.3503 229.502 15.2219 GPRESSURE: 3591600 61.3911 -178.462 29.3467 -284.262 -65.8701 217.492 132.511 160.463 38.6366 PRESSAVG: 3591600 67.8651 -1.98905 -21.1819 -1.98905 -85.8744 72.5473 -21.1818 72.5473 2.21879 GPRESSAVG: 3591600 68.6156 -0.622653 -19.4892 -1.62905 -86.2831 73.9517 -21.9511 72.2339 1.93654 TIMING: 3591600 CPU: 11482.1, 0.00401592/step Wall: 11482.1, 0.00401592/step, 1.57112 hours remaining, 235.437500 MB of memory in use. ENERGY: 3591600 3923.9727 20454.4745 14454.5496 250.1813 -203360.1888 2523.2501 0.0000 0.0000 52151.4764 -109602.2843 299.7153 -161753.7607 -109239.7626 299.1730 -20.5337 11.3859 759878.5890 -5.2635 -5.2436 PRESSURE: 3591800 471.65 95.2869 6.04651 95.2874 -95.7049 4.00087 6.04705 4.00116 308.324 GPRESSURE: 3591800 499.108 174.788 66.7799 28.2409 28.7907 47.4619 -48.2917 1.57136 224.498 PRESSAVG: 3591800 107.646 -17.9236 31.9356 -17.9235 -78.0453 36.2669 31.9357 36.2668 6.78841 GPRESSAVG: 3591800 107.759 -18.8627 32.073 -17.2545 -77.9036 35.6047 32.1948 37.7604 6.08509 TIMING: 3591800 CPU: 11482.9, 0.00404978/step Wall: 11482.9, 0.00404978/step, 1.58414 hours remaining, 235.437500 MB of memory in use. ENERGY: 3591800 3962.9892 20550.4449 14462.2956 232.0372 -203693.4870 2657.2501 0.0000 0.0000 52134.1910 -109694.2792 299.6159 -161828.4701 -109338.0190 299.3278 228.0899 250.7989 758675.0202 12.1298 11.9802 PRESSURE: 3592000 274.712 195.333 242.562 195.333 -280.955 -137.889 242.56 -137.889 205.553 GPRESSURE: 3592000 217.326 56.3179 238 131.973 -135.413 -126.181 95.7239 -116.326 183.92 PRESSAVG: 3592000 25.7933 1.19475 -3.78083 1.19476 -49.1295 -1.9949 -3.78085 -1.99498 -6.09264 GPRESSAVG: 3592000 24.6887 0.2323 -4.9002 1.24418 -48.7894 -0.779334 -4.49335 -3.96898 -5.26961 TIMING: 3592000 CPU: 11483.7, 0.00405503/step Wall: 11483.7, 0.00405503/step, 1.58597 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3592000 4031.7239 20356.2998 14548.0056 255.1875 -203616.1309 2450.8397 0.0000 0.0000 52140.0253 -109834.0492 299.6494 -161974.0746 -109470.2932 298.9408 66.4367 88.6108 758847.0618 -9.8096 -9.7901 PRESSURE: 3592200 -269.804 31.7724 84.3623 31.7727 27.0006 -172.605 84.3627 -172.604 -3.9629 GPRESSURE: 3592200 -152.49 85.858 135.593 23.9184 1.27541 -235.419 89.8676 -146.389 -28.6734 PRESSAVG: 3592200 62.5309 -21.9401 -15.8064 -21.9401 -96.9709 35.7333 -15.8064 35.7333 -8.10369 GPRESSAVG: 3592200 62.1287 -20.8189 -14.9237 -23.5839 -97.2464 37.2774 -14.9801 34.857 -7.43951 TIMING: 3592200 CPU: 11484.5, 0.00402679/step Wall: 11484.5, 0.00402679/step, 1.5747 hours remaining, 235.437500 MB of memory in use. ENERGY: 3592200 4020.3665 20385.8599 14583.6282 260.7275 -203610.1090 2514.7412 0.0000 0.0000 52259.4601 -109585.3256 300.3358 -161844.7857 -109217.8709 299.4736 -82.2553 -59.9627 759032.8845 -14.1812 -14.1857 LDB: ============= START OF LOAD BALANCING ============== 11497 LDB: ============== END OF LOAD BALANCING =============== 11497 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11497 LDB: ============= START OF LOAD BALANCING ============== 11497.4 LDB: Largest compute 7064 load 0.031856 is 16.5% of average load 0.193191 LDB: Average compute 0.004481 is 2.3% of average load 0.193191 LDB: TIME 11497.4 LOAD: AVG 0.193191 MAX 0.213562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.855 MB LDB: TIME 11497.4 LOAD: AVG 0.193191 MAX 0.213562 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.895 MB LDB: TIME 11497.4 LOAD: AVG 0.193191 MAX 0.213562 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.895 MB LDB: ============== END OF LOAD BALANCING =============== 11497.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11497.4 PRESSURE: 3592400 -172.831 97.5537 118.743 97.5543 106.985 94.2955 118.744 94.2952 -66.2337 GPRESSURE: 3592400 -211.748 70.7207 84.3889 62.322 154.923 48.842 132.769 -37.7227 18.4792 PRESSAVG: 3592400 42.9269 35.6411 -3.86935 35.6411 15.645 -15.203 -3.86926 -15.2029 19.2098 GPRESSAVG: 3592400 43.6569 36.9757 -4.5504 36.0041 16.2465 -17.713 -4.39028 -13.2963 17.2791 TIMING: 3592400 CPU: 11485.3, 0.00409927/step Wall: 11485.3, 0.00409927/step, 1.60282 hours remaining, 233.425781 MB of memory in use. ENERGY: 3592400 3971.7230 20599.9595 14476.4821 230.7740 -203577.9832 2607.5059 0.0000 0.0000 52039.8403 -109651.6983 299.0737 -161691.5386 -109300.2011 299.2009 -44.0265 -12.7818 759349.0029 25.9272 25.7275 PRESSURE: 3592600 130.241 90.4466 -236.857 90.4469 166.438 28.9361 -236.856 28.9365 -463.717 GPRESSURE: 3592600 191.721 94.5107 -218.828 181.719 161.329 78.003 -122.332 -89.7986 -423.512 PRESSAVG: 3592600 52.2858 7.51459 -0.108994 7.5146 -48.6163 10.5284 -0.108948 10.5284 15.8628 GPRESSAVG: 3592600 52.6696 6.20282 -0.18549 8.98139 -49.6659 10.9866 -0.0592814 8.37903 16.5398 TIMING: 3592600 CPU: 11486.1, 0.00404372/step Wall: 11486.1, 0.00404372/step, 1.58087 hours remaining, 233.621094 MB of memory in use. ENERGY: 3592600 3993.2146 20468.1342 14396.3836 257.4715 -203176.8808 2457.6358 0.0000 0.0000 52066.3369 -109537.7043 299.2260 -161604.0411 -109172.1377 299.1838 -55.6795 -23.4873 761015.6835 6.5107 6.5145 PRESSURE: 3592800 -222.294 -200.976 -185.296 -200.976 -48.6188 -14.7702 -185.296 -14.7695 48.5868 GPRESSURE: 3592800 -97.2875 -24.9814 -151.527 -215.393 -32.218 11.8102 -142.119 104.913 -16.9495 PRESSAVG: 3592800 42.6969 -13.6607 7.23287 -13.6607 -19.6734 34.4642 7.23289 34.4642 -17.7373 GPRESSAVG: 3592800 43.1251 -12.8029 8.19114 -14.9984 -19.6008 34.8111 6.89366 35.3159 -17.8881 TIMING: 3592800 CPU: 11486.9, 0.00405738/step Wall: 11486.9, 0.00405738/step, 1.58599 hours remaining, 233.621094 MB of memory in use. ENERGY: 3592800 3921.0133 20428.3065 14534.7791 247.4322 -202809.0356 2283.9660 0.0000 0.0000 52188.3197 -109205.2189 299.9270 -161393.5385 -108837.0406 299.4090 -74.1087 -48.8183 760363.6977 1.7621 1.8787 PRESSURE: 3593000 26.7762 324.561 -13.9344 324.561 154.846 -96.4458 -13.9345 -96.4455 603.727 GPRESSURE: 3593000 105.076 207.438 104.567 234.644 159.318 -67.9136 12.8799 16.9803 590.832 PRESSAVG: 3593000 64.3081 26.5985 41.1519 26.5984 -25.5022 22.5381 41.152 22.5381 -13.129 GPRESSAVG: 3593000 63.261 26.5637 40.9128 27.2578 -24.9592 23.7048 42.0781 21.3167 -12.8844 TIMING: 3593000 CPU: 11487.8, 0.00406019/step Wall: 11487.8, 0.00406019/step, 1.58686 hours remaining, 233.824219 MB of memory in use. ENERGY: 3593000 3994.1982 20546.5627 14506.6960 243.4811 -202916.5159 2521.3206 0.0000 0.0000 52006.4255 -109097.8320 298.8816 -161104.2574 -108752.1501 299.9678 261.7831 285.0753 760878.9766 8.5590 8.4725 PRESSURE: 3593200 287.009 187.725 -239.418 187.725 248.101 -117.256 -239.419 -117.257 238.589 GPRESSURE: 3593200 278.632 149.469 -224.397 156.619 325.811 -142.276 -267.773 21.257 252.8 PRESSAVG: 3593200 38.404 -8.64822 -1.13854 -8.64821 -86.1559 -3.45779 -1.13852 -3.45778 28.805 GPRESSAVG: 3593200 37.9811 -9.34984 -1.47546 -9.23526 -87.2928 -3.29989 -2.4158 -1.49887 30.5885 TIMING: 3593200 CPU: 11488.6, 0.00407487/step Wall: 11488.6, 0.00407487/step, 1.59237 hours remaining, 233.824219 MB of memory in use. ENERGY: 3593200 3940.2624 20601.2745 14520.5840 259.5713 -202850.6083 2519.7632 0.0000 0.0000 51910.2861 -109098.8667 298.3291 -161009.1528 -108740.8941 299.8710 257.8998 285.7476 760549.1351 -6.3156 -6.2411 PRESSURE: 3593400 213.566 -177.27 163.504 -177.27 6.23889 7.07873 163.504 7.07846 111.637 GPRESSURE: 3593400 285.03 -229.556 129.421 15.5713 22.3149 -44.4532 173.585 -28.5198 116.515 PRESSAVG: 3593400 7.25066 -14.4375 10.1166 -14.4375 -19.4416 2.73664 10.1167 2.73661 2.38714 GPRESSAVG: 3593400 8.10339 -16.1926 9.46561 -11.569 -18.8224 1.37892 11.1263 2.1353 1.32409 TIMING: 3593400 CPU: 11489.4, 0.00405107/step Wall: 11489.4, 0.00405107/step, 1.58284 hours remaining, 233.824219 MB of memory in use. ENERGY: 3593400 3961.0080 20519.3395 14476.6078 255.3213 -203254.1177 2614.9874 0.0000 0.0000 52150.1165 -109276.7373 299.7074 -161426.8538 -108904.0164 299.9596 110.4804 141.2865 761755.6735 -3.2679 -3.1316 PRESSURE: 3593600 76.0988 -150.837 99.0426 -150.836 84.4446 33.1097 99.0419 33.1094 374.261 GPRESSURE: 3593600 70.2977 -109.836 65.8537 -206.947 147.511 56.1985 46.3346 26.0372 395.605 PRESSAVG: 3593600 12.9261 7.29838 8.27206 7.29836 15.7222 -28.3655 8.27205 -28.3655 -7.29635 GPRESSAVG: 3593600 13.2051 9.96546 9.1805 3.26139 13.9629 -30.7154 7.93577 -28.6776 -6.18576 TIMING: 3593600 CPU: 11490.2, 0.00402803/step Wall: 11490.2, 0.00402803/step, 1.57362 hours remaining, 233.824219 MB of memory in use. ENERGY: 3593600 3941.2108 20450.8609 14529.3383 254.0634 -203505.9216 2647.2120 0.0000 0.0000 52353.5498 -109329.6862 300.8766 -161683.2360 -108956.4944 299.5445 178.2681 204.4713 759768.8431 7.1173 6.9941 PRESSURE: 3593800 -30.1621 22.6749 -95.9081 22.6755 -333.445 -348.377 -95.9087 -348.376 -25.5815 GPRESSURE: 3593800 -47.0291 158.756 -71.7388 -38.4272 -269.303 -253.356 45.635 -334.026 11.249 PRESSAVG: 3593800 -31.724 -29.5454 41.8513 -29.5453 -19.8179 53.9097 41.8513 53.9097 -14.2783 GPRESSAVG: 3593800 -31.9281 -30.8533 40.3665 -26.2567 -19.0217 57.3532 40.0106 52.5917 -14.9116 TIMING: 3593800 CPU: 11491, 0.00403149/step Wall: 11491, 0.00403149/step, 1.57474 hours remaining, 233.824219 MB of memory in use. ENERGY: 3593800 3929.2508 20591.0506 14470.6465 232.9019 -202916.8851 2230.2934 0.0000 0.0000 52221.2600 -109241.4819 300.1163 -161462.7420 -108876.8668 299.6271 -129.7295 -101.6942 759586.5279 -21.9401 -21.9538 PRESSURE: 3594000 -15.781 -90.2728 275.702 -90.2724 -341.342 -249.375 275.702 -249.376 -302.014 GPRESSURE: 3594000 -77.6981 -160.1 202.055 32.6816 -223.206 -156.155 294.576 -214.522 -271.702 PRESSAVG: 3594000 54.8829 -9.35052 -20.5693 -9.35051 -64.2161 21.6075 -20.5692 21.6075 -4.60886 GPRESSAVG: 3594000 53.2539 -7.32169 -18.2279 -10.7295 -63.4682 21.1735 -18.0852 23.6324 -3.72293 TIMING: 3594000 CPU: 11491.8, 0.00401514/step Wall: 11491.8, 0.00401514/step, 1.56814 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3594000 3986.2545 20494.4117 14485.6885 248.3081 -203471.0277 2598.8481 0.0000 0.0000 52171.9538 -109485.5629 299.8329 -161657.5167 -109126.3729 299.7687 -219.7125 -190.8684 760220.6785 -4.6474 -4.6457 PRESSURE: 3594200 -61.9861 59.8411 -298.232 59.8415 -480.761 158.104 -298.231 158.103 59.1315 GPRESSURE: 3594200 -70.1009 36.4333 -275.199 -58.0015 -391.697 55.9072 -288.533 87.2332 59.1435 PRESSAVG: 3594200 30.9507 38.0932 -47.7238 38.0932 -54.6173 0.72861 -47.7238 0.728611 3.0252 GPRESSAVG: 3594200 31.4005 34.2881 -48.1554 40.144 -55.1906 0.215856 -48.5041 -0.250451 3.01012 TIMING: 3594200 CPU: 11492.6, 0.004057/step Wall: 11492.6, 0.004057/step, 1.58426 hours remaining, 233.824219 MB of memory in use. ENERGY: 3594200 3970.5633 20470.8311 14535.0701 230.5566 -203214.2905 2146.9189 0.0000 0.0000 52171.7100 -109688.6404 299.8315 -161860.3504 -109319.1407 299.3810 -161.2051 -134.2180 760545.5519 -6.8805 -6.9266 PRESSURE: 3594400 214.196 -17.417 46.9099 -17.4171 99.6861 -143.247 46.9101 -143.247 -186.532 GPRESSURE: 3594400 218.304 13.1207 22.608 -229.726 82.1606 -200.176 172.11 -144.733 -84.271 PRESSAVG: 3594400 12.6926 -31.1165 -36.2628 -31.1165 3.21336 2.60189 -36.2629 2.60183 9.97715 GPRESSAVG: 3594400 13.1253 -28.369 -37.2657 -33.9322 3.1027 2.81134 -33.9445 2.66248 9.76337 TIMING: 3594400 CPU: 11493.4, 0.00406273/step Wall: 11493.4, 0.00406273/step, 1.58627 hours remaining, 233.824219 MB of memory in use. ENERGY: 3594400 3966.5767 20454.7326 14441.5233 241.2133 -203741.7577 2508.6892 0.0000 0.0000 52415.7047 -109713.3180 301.2338 -162129.0226 -109349.1148 298.8819 42.4500 72.0646 758924.4200 8.6277 8.6638 PRESSURE: 3594600 -168.245 47.961 102.148 47.9616 276.314 -17.1938 102.148 -17.194 98.1044 GPRESSURE: 3594600 -101.31 91.8632 172.674 61.5678 275.417 -48.3601 50.7982 -51.5264 124.398 PRESSAVG: 3594600 22.8286 22.335 -24.8818 22.335 -39.1197 16.9666 -24.8818 16.9666 5.48976 GPRESSAVG: 3594600 21.2434 22.2468 -23.8898 25.0126 -38.598 16.0081 -28.3126 18.0319 6.1817 TIMING: 3594600 CPU: 11494.2, 0.00404133/step Wall: 11494.2, 0.00404133/step, 1.57769 hours remaining, 233.824219 MB of memory in use. ENERGY: 3594600 3935.2088 20559.7645 14465.0660 255.1176 -203551.5135 2611.3391 0.0000 0.0000 51778.7289 -109946.2886 297.5731 -161725.0175 -109587.1294 299.0441 68.7245 99.5018 761111.1432 -3.6004 -3.7243 PRESSURE: 3594800 -5.81554 39.0521 161.394 39.0515 -127.305 5.31169 161.394 5.31229 -525.526 GPRESSURE: 3594800 -6.09609 -3.79459 192.241 25.2706 -63.245 27.4928 14.924 52.6301 -508.748 PRESSAVG: 3594800 -19.5375 5.84934 2.46875 5.84925 26.5307 17.0059 2.46876 17.006 16.2649 GPRESSAVG: 3594800 -18.8322 5.50033 1.64351 4.90344 26.0447 17.7042 4.62884 16.193 15.7316 TIMING: 3594800 CPU: 11495, 0.00399518/step Wall: 11495, 0.00399518/step, 1.55945 hours remaining, 233.824219 MB of memory in use. ENERGY: 3594800 3982.6326 20307.3338 14523.2446 257.1153 -203630.2179 2539.8746 0.0000 0.0000 51957.2949 -110062.7222 298.5993 -162020.0171 -109692.9881 298.5910 -219.5490 -192.6964 758670.8563 7.7527 7.6480 PRESSURE: 3595000 -29.0468 128.086 136.235 128.086 -188.932 110.991 136.236 110.99 -143.632 GPRESSURE: 3595000 64.5003 142.706 102.226 39.3393 -231.041 84.229 241.945 56.8985 -116.134 PRESSAVG: 3595000 63.7496 25.7593 12.6606 25.7593 -49.6714 -15.792 12.6607 -15.7919 2.00596 GPRESSAVG: 3595000 64.1535 24.4194 12.9465 26.1882 -49.0353 -16.5621 14.2368 -15.2152 1.06456 TIMING: 3595000 CPU: 11495.8, 0.00399336/step Wall: 11495.8, 0.00399336/step, 1.55852 hours remaining, 233.824219 MB of memory in use. ENERGY: 3595000 3994.9484 20310.4290 14490.1344 236.1304 -203694.3192 2539.3796 0.0000 0.0000 51945.3490 -110177.9483 298.5306 -162123.2973 -109832.0419 298.0716 -120.5367 -94.2249 758821.5989 5.3614 5.3942 PRESSURE: 3595200 39.0389 134.599 -194.426 134.599 38.5203 -178.507 -194.426 -178.508 -375.139 GPRESSURE: 3595200 48.2431 216.668 -219.401 139.479 26.4813 -190.753 -195.593 -204.981 -287.435 PRESSAVG: 3595200 19.6225 -4.30244 -15.0521 -4.30243 15.5549 41.6611 -15.0522 41.6612 29.2448 GPRESSAVG: 3595200 19.2784 -1.51983 -16.188 -5.12197 14.5808 42.035 -19.0856 41.1734 30.5153 TIMING: 3595200 CPU: 11496.6, 0.00401127/step Wall: 11496.6, 0.00401127/step, 1.56529 hours remaining, 233.824219 MB of memory in use. ENERGY: 3595200 4017.8198 20282.1619 14450.0463 246.4591 -203657.5536 2653.8303 0.0000 0.0000 51984.3213 -110022.9149 298.7546 -162007.2362 -109662.0276 297.9043 -99.1933 -70.9035 759690.8718 21.4740 21.4582 PRESSURE: 3595400 5.98186 88.159 166.801 88.1592 -186.48 -72.1265 166.8 -72.1255 148.896 GPRESSURE: 3595400 78.1737 96.0818 131.462 30.7062 -116.328 -117.173 206.815 15.376 100.378 PRESSAVG: 3595400 67.3927 -12.0188 -16.4557 -12.0188 -59.2089 -56.0445 -16.4557 -56.0445 23.3279 GPRESSAVG: 3595400 67.2982 -15.659 -16.6297 -10.222 -59.0746 -54.9934 -14.5445 -57.0251 22.7002 TIMING: 3595400 CPU: 11497.4, 0.00401724/step Wall: 11497.4, 0.00401724/step, 1.56739 hours remaining, 233.824219 MB of memory in use. ENERGY: 3595400 3877.9493 20427.5735 14369.4019 253.5432 -203440.1272 2604.0363 0.0000 0.0000 51764.0365 -110143.5864 297.4886 -161907.6230 -109785.6503 298.0397 -10.5342 20.7414 760346.9282 10.5039 10.3079 PRESSURE: 3595600 117.706 385.707 449.224 385.707 -124.881 -74.0356 449.224 -74.0354 42.8607 GPRESSURE: 3595600 169.492 312.225 557.978 504.194 -51.1672 -70.5172 306.329 -167.53 14.4902 PRESSAVG: 3595600 65.2095 68.4192 -25.7957 68.4192 -48.6057 4.97432 -25.7957 4.97434 17.412 GPRESSAVG: 3595600 66.4948 67.8114 -24.0145 67.0356 -49.1003 4.44105 -29.0028 4.15991 16.4001 TIMING: 3595600 CPU: 11498.2, 0.00402041/step Wall: 11498.2, 0.00402041/step, 1.56841 hours remaining, 233.824219 MB of memory in use. ENERGY: 3595600 3912.7444 20370.2394 14443.0376 241.7109 -203328.4544 2471.8505 0.0000 0.0000 51840.5188 -110048.3528 297.9282 -161888.8717 -109690.3346 298.4562 11.8951 44.2718 758588.1264 11.3386 11.2649 PRESSURE: 3595800 -86.8027 -215.522 -174.72 -215.522 251.625 139.246 -174.72 139.245 -228.794 GPRESSURE: 3595800 -36.2512 -129.995 -169.154 -230.556 226.944 145.306 -127.364 31.8518 -189.149 PRESSAVG: 3595800 81.177 24.4467 14.2141 24.4467 -65.8932 -1.82365 14.2141 -1.82373 25.9758 GPRESSAVG: 3595800 79.0358 26.9331 12.3584 24.7956 -65.4073 -1.59612 15.1917 1.53709 26.9348 TIMING: 3595800 CPU: 11499, 0.00403242/step Wall: 11499, 0.00403242/step, 1.57287 hours remaining, 233.824219 MB of memory in use. ENERGY: 3595800 3903.5823 20405.8187 14489.4027 262.0262 -203370.8047 2538.5673 0.0000 0.0000 51789.7136 -109981.6939 297.6362 -161771.4074 -109627.3689 298.4444 -21.3240 0.5144 760057.9523 13.7532 13.5211 PRESSURE: 3596000 112.161 221.257 -130.185 221.258 -452.311 -47.471 -130.185 -47.4712 -308.27 GPRESSURE: 3596000 110.324 189.755 -180.26 275.443 -349.875 -99.1366 -182.91 -13.7217 -337.857 PRESSAVG: 3596000 63.4565 9.8066 -29.4998 9.80663 -83.5123 -6.95518 -29.4999 -6.95513 6.13144 GPRESSAVG: 3596000 64.0706 11.075 -28.8418 7.8059 -84.4466 -6.94876 -28.7281 -9.30132 6.09698 TIMING: 3596000 CPU: 11499.8, 0.00399559/step Wall: 11499.8, 0.00399559/step, 1.55828 hours remaining, 233.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3596000 3933.4227 20307.4111 14547.1415 266.5098 -203598.6420 2396.7657 0.0000 0.0000 52122.1162 -110025.2750 299.5465 -162147.3912 -109667.3675 298.5871 -216.1400 -192.4694 759587.4606 -4.6414 -4.7597 PRESSURE: 3596200 253.112 -105.256 -135.952 -105.256 -95.8515 31.8452 -135.951 31.8451 -95.0344 GPRESSURE: 3596200 326.294 -169.335 -136.048 -63.5966 -53.045 -34.9384 -131.312 41.1842 -127.738 PRESSAVG: 3596200 14.9286 -12.1034 -26.6815 -12.1034 -18.3258 -32.0341 -26.6814 -32.0341 -23.9302 GPRESSAVG: 3596200 15.5531 -13.1217 -24.6148 -9.34315 -18.0143 -31.5907 -27.0921 -33.9397 -24.6458 TIMING: 3596200 CPU: 11500.6, 0.00399096/step Wall: 11500.6, 0.00399096/step, 1.55625 hours remaining, 233.824219 MB of memory in use. ENERGY: 3596200 3929.3533 20410.0422 14427.1020 228.1204 -203384.7039 2152.8454 0.0000 0.0000 51981.5439 -110255.6967 298.7386 -162237.2405 -109901.8308 298.2906 20.7420 48.5039 757617.3082 -9.1091 -9.0356 LDB: ============= START OF LOAD BALANCING ============== 11513.1 LDB: ============== END OF LOAD BALANCING =============== 11513.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11513.1 LDB: ============= START OF LOAD BALANCING ============== 11513.5 LDB: Largest compute 7069 load 0.030648 is 15.9% of average load 0.193261 LDB: Average compute 0.004433 is 2.3% of average load 0.193261 LDB: TIME 11513.5 LOAD: AVG 0.193261 MAX 0.216226 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.141 MB LDB: TIME 11513.5 LOAD: AVG 0.193261 MAX 0.216226 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.141 MB LDB: TIME 11513.5 LOAD: AVG 0.193261 MAX 0.214684 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.141 MB LDB: ============== END OF LOAD BALANCING =============== 11513.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11513.6 PRESSURE: 3596400 358.182 187.47 140.132 187.47 -376.504 -352.67 140.133 -352.671 75.1244 GPRESSURE: 3596400 352.06 154.153 90.7526 159.486 -325.522 -375.989 229.143 -243.716 114.86 PRESSAVG: 3596400 42.4692 12.5658 -18.308 12.5658 -22.4699 -44.93 -18.308 -44.93 29.7532 GPRESSAVG: 3596400 41.3151 11.7554 -20.4367 11.1315 -22.3914 -47.5947 -17.421 -41.6457 30.5414 TIMING: 3596400 CPU: 11501.4, 0.00404782/step Wall: 11501.4, 0.00404781/step, 1.5782 hours remaining, 232.800781 MB of memory in use. ENERGY: 3596400 3900.0322 20389.0834 14475.4782 240.7744 -203518.4634 2390.6373 0.0000 0.0000 51857.0701 -110265.3878 298.0233 -162122.4579 -109897.9506 297.9179 18.9341 47.1324 758947.7437 16.5842 16.4884 PRESSURE: 3596600 18.8068 -47.1572 -173.676 -47.158 -350.253 -128.713 -173.676 -128.712 -286.915 GPRESSURE: 3596600 131.771 45.7946 -151.384 -63.4013 -297.597 -119.027 -97.4775 18.334 -362.654 PRESSAVG: 3596600 70.9112 -28.7491 -19.3442 -28.7491 -48.6557 -55.3413 -19.3442 -55.3414 -17.5857 GPRESSAVG: 3596600 70.2361 -27.7306 -19.21 -30.0329 -49.2178 -52.2093 -20.116 -55.6282 -17.3474 TIMING: 3596600 CPU: 11502.2, 0.00401457/step Wall: 11502.2, 0.00401457/step, 1.56502 hours remaining, 232.800781 MB of memory in use. ENERGY: 3596600 4037.5070 20423.3179 14423.0202 243.2985 -203536.1648 2456.8874 0.0000 0.0000 51808.9524 -110143.1815 297.7468 -161952.1339 -109779.5187 297.8960 -206.1204 -176.1602 760997.1239 1.5566 1.2236 PRESSURE: 3596800 -259.988 202.706 122.154 202.705 -282.405 315.422 122.155 315.421 -224.961 GPRESSURE: 3596800 -149.944 133.084 142.034 182.64 -341.143 294.409 169.477 172.602 -178.439 PRESSAVG: 3596800 61.1932 43.3064 -25.6908 43.3063 -46.2883 -6.06973 -25.6908 -6.06973 1.96728 GPRESSAVG: 3596800 62.5299 43.7602 -27.6092 46.6025 -46.935 -6.7365 -23.6122 -6.60439 1.16616 TIMING: 3596800 CPU: 11503.1, 0.00401882/step Wall: 11503.1, 0.00401882/step, 1.56644 hours remaining, 232.800781 MB of memory in use. ENERGY: 3596800 3917.0564 20422.8977 14449.7659 239.1125 -203467.4669 2345.2456 0.0000 0.0000 52021.8721 -110071.5169 298.9704 -162093.3890 -109711.2878 298.4934 -255.7846 -223.1753 761146.5967 5.6241 5.5870 PRESSURE: 3597000 140.13 -114.435 -80.6257 -114.435 74.6871 30.6018 -80.6253 30.601 9.9014 GPRESSURE: 3597000 196.563 -165.71 60.6661 -99.603 47.3953 28.5186 -58.996 -23.1517 55.3698 PRESSAVG: 3597000 28.1434 3.63436 -13.5919 3.63435 -43.6378 -22.499 -13.5918 -22.499 4.38124 GPRESSAVG: 3597000 27.5235 0.795742 -12.8024 3.22538 -43.349 -23.5845 -14.5367 -22.3969 4.88173 TIMING: 3597000 CPU: 11503.9, 0.00398689/step Wall: 11503.9, 0.00398689/step, 1.55378 hours remaining, 232.800781 MB of memory in use. ENERGY: 3597000 3906.8604 20469.3210 14465.0507 242.5646 -203796.4840 2681.4135 0.0000 0.0000 52102.1657 -109929.1080 299.4319 -162031.2737 -109563.3092 298.6029 74.9061 99.7759 758941.7715 -3.7044 -3.6479 PRESSURE: 3597200 298.201 -13.9612 -167.004 -13.9606 -258.098 92.2792 -167.005 92.2788 97.6479 GPRESSURE: 3597200 270.67 -57.2532 -94.842 20.4208 -179.06 114.274 -120.632 11.8969 140.339 PRESSAVG: 3597200 23.4598 7.23273 -27.2234 7.23268 -57.8667 -38.9034 -27.2234 -38.9034 -9.39795 GPRESSAVG: 3597200 24.0132 10.0009 -25.4856 7.94682 -58.046 -38.5861 -27.4692 -40.7619 -9.79413 TIMING: 3597200 CPU: 11504.6, 0.003995/step Wall: 11504.6, 0.003995/step, 1.55672 hours remaining, 232.800781 MB of memory in use. ENERGY: 3597200 3969.5734 20500.8994 14566.6327 202.1828 -203727.6429 2427.4206 0.0000 0.0000 52259.1720 -109801.7619 300.3342 -162060.9339 -109447.9981 298.9286 45.9169 77.3164 759181.5971 -14.6016 -14.6090 PRESSURE: 3597400 80.8067 55.3746 241.622 55.3754 -208.65 -220.358 241.622 -220.358 482.22 GPRESSURE: 3597400 65.9828 61.3762 88.2451 32.0843 -83.972 -190.623 256.879 -154.932 465.928 PRESSAVG: 3597400 47.3045 -11.7602 -52.3494 -11.7602 -71.3603 26.1663 -52.3494 26.1663 -6.9584 GPRESSAVG: 3597400 47.0927 -12.3526 -54.6698 -14.1743 -71.1806 26.7943 -50.7233 28.2409 -6.55983 TIMING: 3597400 CPU: 11505.5, 0.00401455/step Wall: 11505.5, 0.00401455/step, 1.56411 hours remaining, 232.800781 MB of memory in use. ENERGY: 3597400 4030.6956 20457.8497 14499.8139 242.8523 -203464.5444 2719.6241 0.0000 0.0000 52000.4221 -109513.2867 298.8471 -161513.7088 -109157.6013 298.9705 118.1255 149.3128 760410.1756 -10.3381 -10.2159 PRESSURE: 3597600 202.67 291.436 -21.2715 291.435 93.6342 136.09 -21.2712 136.09 -51.0867 GPRESSURE: 3597600 277.561 125.795 44.7895 250.572 176.803 55.2335 105.444 220.972 -111.591 PRESSAVG: 3597600 74.098 23.4853 -12.6102 23.4853 -30.1263 -3.95651 -12.6102 -3.95643 21.3933 GPRESSAVG: 3597600 73.3571 22.226 -10.2505 25.5082 -28.9138 -2.23912 -13.8004 -5.27348 20.8405 TIMING: 3597600 CPU: 11506.3, 0.00402633/step Wall: 11506.3, 0.00402633/step, 1.56848 hours remaining, 232.800781 MB of memory in use. ENERGY: 3597600 4042.1069 20513.0086 14503.4278 227.6964 -203252.9593 2460.4125 0.0000 0.0000 51903.6484 -109602.6588 298.2910 -161506.3072 -109233.6794 299.3779 81.7393 114.2578 759413.8232 21.7883 21.7613 PRESSURE: 3597800 23.6176 -38.0403 -196.353 -38.0405 55.7867 -151.789 -196.353 -151.79 8.55209 GPRESSURE: 3597800 83.3209 96.657 -101.119 42.6576 -26.0233 -176.245 -104.054 -114.038 136.145 PRESSAVG: 3597800 5.09317 -22.032 -27.2534 -22.0319 -49.1613 -47.368 -27.2535 -47.368 11.2421 GPRESSAVG: 3597800 6.28637 -20.2262 -27.1663 -24.3031 -50.2034 -49.7782 -28.0116 -47.5659 11.0513 TIMING: 3597800 CPU: 11507.1, 0.00402588/step Wall: 11507.1, 0.00402588/step, 1.56808 hours remaining, 232.800781 MB of memory in use. ENERGY: 3597800 3945.5742 20598.6525 14497.2629 238.2148 -203465.1151 2354.8357 0.0000 0.0000 52276.5193 -109554.0556 300.4339 -161830.5750 -109182.3228 299.1280 29.3188 64.4808 758280.0854 -10.9420 -10.9552 PRESSURE: 3598000 -101.377 -15.5753 57.9833 -15.5759 -213.499 80.093 57.9833 80.0924 191.358 GPRESSURE: 3598000 -104.888 3.6329 63.125 -75.5865 -120.564 51.648 -14.8881 181.354 192.045 PRESSAVG: 3598000 23.5966 3.89948 30.2477 3.89952 -20.005 -28.1149 30.2477 -28.1149 6.40727 GPRESSAVG: 3598000 23.3899 3.75251 29.7419 4.26673 -20.767 -27.1588 32.183 -25.5295 7.42576 TIMING: 3598000 CPU: 11507.9, 0.00401963/step Wall: 11507.9, 0.00401963/step, 1.56542 hours remaining, 232.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3598000 3989.6420 20597.7246 14534.4266 253.5781 -203626.8741 2642.4174 0.0000 0.0000 52003.0331 -109606.0522 298.8621 -161609.0853 -109244.4287 299.2478 -41.1725 -11.1357 760223.9527 3.3330 3.3496 PRESSURE: 3598200 -133.362 120.492 -49.6069 120.492 149.927 90.2209 -49.6059 90.2208 92.4554 GPRESSURE: 3598200 37.771 90.67 -10.7733 45.9682 122.674 125.084 -119.606 41.2157 23.8625 PRESSAVG: 3598200 32.6016 -26.2396 9.13228 -26.2396 -55.1768 -6.44744 9.13226 -6.44741 28.4036 GPRESSAVG: 3598200 33.8694 -27.4413 9.3032 -25.3281 -54.662 -5.06292 6.81913 -8.13657 26.7233 TIMING: 3598200 CPU: 11508.7, 0.00402635/step Wall: 11508.7, 0.00402635/step, 1.56782 hours remaining, 232.800781 MB of memory in use. ENERGY: 3598200 3997.3817 20607.0485 14490.2770 251.9558 -203819.6232 2566.0508 0.0000 0.0000 52032.3469 -109874.5625 299.0306 -161906.9094 -109503.9586 299.0340 36.3402 61.4359 759222.0122 1.9428 1.9769 PRESSURE: 3598400 -91.3822 -192.4 -60.9353 -192.4 -81.6304 108.449 -60.9352 108.449 -485.204 GPRESSURE: 3598400 -123.81 -254.737 -74.4688 -144.647 -19.175 22.903 -90.5082 135.278 -425.507 PRESSAVG: 3598400 2.28246 -51.1918 -4.53832 -51.1918 35.2034 -33.1109 -4.53832 -33.1109 -1.55893 GPRESSAVG: 3598400 1.01396 -48.896 -5.56245 -53.6509 35.7573 -34.3387 -3.27569 -31.935 -0.528012 TIMING: 3598400 CPU: 11509.5, 0.00401045/step Wall: 11509.5, 0.00401045/step, 1.5614 hours remaining, 232.800781 MB of memory in use. ENERGY: 3598400 3932.3165 20648.7881 14507.0036 259.9636 -203696.8195 2549.2429 0.0000 0.0000 51906.2276 -109893.2772 298.3058 -161799.5047 -109533.0244 298.9497 -219.4056 -189.4972 758089.6110 11.9756 12.0811 PRESSURE: 3598600 -150.521 -277.837 -13.3175 -277.837 172.694 -167.498 -13.3176 -167.497 -6.75627 GPRESSURE: 3598600 -143.62 -232.019 7.76944 -207.031 294.771 -224.361 -75.3028 -47.1879 -53.4907 PRESSAVG: 3598600 21.3199 -27.3712 -53.5225 -27.3711 -10.3401 0.908049 -53.5225 0.908011 7.35874 GPRESSAVG: 3598600 20.2344 -30.0739 -53.2099 -24.9412 -8.63331 0.395801 -54.8398 -0.220895 6.63962 TIMING: 3598600 CPU: 11510.3, 0.00402658/step Wall: 11510.3, 0.00402658/step, 1.56746 hours remaining, 232.800781 MB of memory in use. ENERGY: 3598600 3966.4606 20542.6885 14550.5658 263.8895 -203854.9425 2646.0645 0.0000 0.0000 52098.8433 -109786.4304 299.4128 -161885.2737 -109425.9280 298.8314 5.1392 32.5534 759670.2805 6.1129 6.0802 PRESSURE: 3598800 239.989 -158.324 -17.098 -158.325 46.9172 -188.013 -17.0982 -188.012 -471.178 GPRESSURE: 3598800 214.063 -95.2653 -20.4664 -66.8919 48.9794 -102.16 -173.879 -228.017 -369.899 PRESSAVG: 3598800 -19.8815 -16.9461 13.8614 -16.9461 -20.3425 10.4496 13.8613 10.4495 -27.1839 GPRESSAVG: 3598800 -19.3963 -15.2229 13.4644 -17.4359 -22.3104 11.2898 14.299 11.5999 -25.7577 TIMING: 3598800 CPU: 11511.1, 0.00402369/step Wall: 11511.1, 0.00402369/step, 1.56611 hours remaining, 232.800781 MB of memory in use. ENERGY: 3598800 4019.7221 20546.1276 14492.6692 229.6367 -203638.8191 2569.3924 0.0000 0.0000 52188.8002 -109592.4709 299.9298 -161781.2711 -109234.3922 299.4261 -61.4237 -35.6188 760728.8853 -22.4693 -22.4881 PRESSURE: 3599000 103.793 164.148 -245.575 164.149 123.899 105.158 -245.575 105.157 -159.802 GPRESSURE: 3599000 144.082 139.908 -211.737 85.0293 118.535 127.264 -248.134 34.995 -106.082 PRESSAVG: 3599000 14.397 -59.1226 13.5564 -59.1226 15.7986 -11.2673 13.5564 -11.2673 5.09852 GPRESSAVG: 3599000 14.2504 -60.0885 13.0538 -60.6631 15.4541 -12.5169 13.8793 -9.9547 5.06476 TIMING: 3599000 CPU: 11511.9, 0.003999/step Wall: 11511.9, 0.003999/step, 1.55628 hours remaining, 232.800781 MB of memory in use. ENERGY: 3599000 3961.4586 20481.0763 14488.1548 238.2660 -203067.8966 2462.2869 0.0000 0.0000 51900.5905 -109536.0636 298.2734 -161436.6540 -109176.8370 298.8482 22.6296 52.1784 762509.3016 11.7647 11.5897 PRESSURE: 3599200 324.126 -86.1905 -110.62 -86.1903 -64.7702 302.314 -110.622 302.314 382.992 GPRESSURE: 3599200 379.809 -144.054 -199.594 -140.888 27.5935 299.022 -62.7442 187.875 320.522 PRESSAVG: 3599200 -14.6966 -7.47541 -36.947 -7.47543 37.4689 12.9392 -36.9471 12.9392 -8.83057 GPRESSAVG: 3599200 -13.8974 -7.00551 -36.4626 -6.88321 37.888 14.8781 -39.1579 10.5848 -10.2304 TIMING: 3599200 CPU: 11512.7, 0.00401635/step Wall: 11512.7, 0.00401635/step, 1.56281 hours remaining, 232.800781 MB of memory in use. ENERGY: 3599200 3997.4908 20473.8366 14496.2745 245.8501 -203726.8961 2869.2646 0.0000 0.0000 52077.6834 -109566.4962 299.2912 -161644.1796 -109195.5251 298.8820 214.1162 242.6415 760250.4417 4.6472 4.5867 PRESSURE: 3599400 191.789 -27.8252 -76.1138 -27.825 -18.2615 17.641 -76.1139 17.6407 267.292 GPRESSURE: 3599400 223.703 -7.20621 18.2094 -64.771 32.9069 88.0582 -17.7956 -56.3804 260.839 PRESSAVG: 3599400 -2.99955 -13.7452 -1.81324 -13.7452 25.0417 18.8574 -1.81322 18.8573 -14.3809 GPRESSAVG: 3599400 -3.84311 -13.2689 -1.56773 -12.8858 24.7905 19.2615 -1.30122 19.8362 -13.1404 TIMING: 3599400 CPU: 11513.5, 0.00402432/step Wall: 11513.5, 0.00402432/step, 1.56568 hours remaining, 232.800781 MB of memory in use. ENERGY: 3599400 3967.6726 20400.6300 14520.9994 252.6968 -203321.0044 2482.1271 0.0000 0.0000 52179.4089 -109517.4696 299.8758 -161696.8785 -109153.0494 299.0538 146.9399 172.4829 760837.6380 2.5538 2.6023 PRESSURE: 3599600 23.4687 6.69525 -154.511 6.6941 121.376 -380.639 -154.511 -380.64 149.869 GPRESSURE: 3599600 123.7 21.9734 -236.807 19.653 173.415 -386.088 -284.215 -216.632 78.6146 PRESSAVG: 3599600 -1.43489 -46.5368 1.20932 -46.5367 -18.1115 -55.5457 1.2093 -55.5457 4.40303 GPRESSAVG: 3599600 -0.451537 -46.3541 -0.923559 -46.4531 -17.8469 -56.0641 0.970663 -53.3936 2.99581 TIMING: 3599600 CPU: 11514.3, 0.00401956/step Wall: 11514.3, 0.00401956/step, 1.56361 hours remaining, 232.800781 MB of memory in use. ENERGY: 3599600 3916.0971 20532.6594 14511.5802 223.3800 -203430.0410 2596.9286 0.0000 0.0000 52188.2849 -109461.1108 299.9268 -161649.3957 -109098.5612 299.3723 98.2378 125.2432 760106.7220 -5.0478 -5.1009 PRESSURE: 3599800 -232.293 -106.246 189.406 -106.247 -16.7129 99.9474 189.407 99.9478 176.967 GPRESSURE: 3599800 -165.697 -141.502 223.152 -124.174 -90.5404 150.597 207.235 271.355 250.499 PRESSAVG: 3599800 -23.0772 -22.3803 2.82437 -22.3803 -10.6005 -14.4708 2.82436 -14.4709 10.5262 GPRESSAVG: 3599800 -22.8496 -21.941 5.18413 -22.2612 -11.7107 -13.323 4.1967 -14.764 11.5224 TIMING: 3599800 CPU: 11515.1, 0.00404447/step Wall: 11515.1, 0.00404447/step, 1.57307 hours remaining, 232.800781 MB of memory in use. ENERGY: 3599800 3996.9158 20539.4913 14544.9144 245.5146 -203089.8508 2526.3961 0.0000 0.0000 52184.1222 -109052.4964 299.9029 -161236.6186 -108696.2824 299.5327 -24.0130 -1.9129 762412.1260 -7.7172 -7.6793 PRESSURE: 3600000 143.089 -129.782 95.3145 -129.783 77.961 -66.3574 95.3143 -66.3563 -304.518 GPRESSURE: 3600000 129.311 -24.8512 114.775 -36.6995 85.0025 -77.781 -89.5222 -113.288 -194.796 PRESSAVG: 3600000 38.2319 -45.7076 -0.233882 -45.7076 16.8071 -54.1641 -0.233954 -54.1642 6.16736 GPRESSAVG: 3600000 37.1385 -46.6069 0.2514 -44.1259 16.9475 -55.5066 -3.08324 -54.706 6.67795 TIMING: 3600000 CPU: 11515.9, 0.00407605/step Wall: 11515.9, 0.00407605/step, 1.58513 hours remaining, 232.800781 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: 3600000 3984.9642 20411.5401 14544.1341 236.4312 -203023.1187 2475.5927 0.0000 0.0000 52304.1969 -109066.2596 300.5929 -161370.4565 -108712.1246 300.9986 -27.8227 6.5059 760794.0976 20.4021 20.2546 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.4.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 -354.088 12.2623 -154.011 12.2628 34.3349 115.668 -154.011 115.668 184.75 GPRESSURE: 3600200 -335.554 77.0331 -99.7944 -24.6565 110.809 205.88 -160.308 11.4244 169.445 PRESSAVG: 3600200 78.9746 -36.4791 8.90951 -36.4792 -71.7863 -18.9054 8.90951 -18.9053 -31.7361 GPRESSAVG: 3600200 79.2072 -36.1013 7.41062 -37.155 -71.3677 -18.1714 14.7704 -20.9734 -31.8189 TIMING: 3600200 CPU: 11516.8, 0.00425192/step Wall: 11516.8, 0.00425192/step, 1.65329 hours remaining, 232.800781 MB of memory in use. ENERGY: 3600200 3879.6626 20616.9973 14600.1783 261.7646 -202701.3131 2350.3982 0.0000 0.0000 52076.0519 -108916.2602 299.2818 -160992.3121 -108546.2744 300.1846 -45.0012 -18.4331 762542.1966 -8.1826 -7.9931 LDB: ============= START OF LOAD BALANCING ============== 11529.3 LDB: ============== END OF LOAD BALANCING =============== 11529.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11529.3 LDB: ============= START OF LOAD BALANCING ============== 11529.7 LDB: Largest compute 7064 load 0.031655 is 16.4% of average load 0.193228 LDB: Average compute 0.004449 is 2.3% of average load 0.193228 LDB: TIME 11529.7 LOAD: AVG 0.193228 MAX 0.213642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.113 MB LDB: TIME 11529.7 LOAD: AVG 0.193228 MAX 0.213642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: TIME 11529.7 LOAD: AVG 0.193228 MAX 0.213642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: ============== END OF LOAD BALANCING =============== 11529.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11529.7 PRESSURE: 3600400 234.134 -187.043 -187.551 -187.043 -154.309 16.2036 -187.551 16.203 -71.7 GPRESSURE: 3600400 259.793 -261.549 -128.806 -110.818 -102.893 156.645 -219.396 53.2681 -72.8722 PRESSAVG: 3600400 33.6411 -30.6495 3.88615 -30.6494 -17.6798 5.94087 3.88613 5.9409 -10.3207 GPRESSAVG: 3600400 31.851 -29.8126 4.52628 -32.3271 -16.7318 4.70429 2.22912 9.63782 -10.1124 TIMING: 3600400 CPU: 11517.6, 0.00409474/step Wall: 11517.6, 0.00409474/step, 1.59194 hours remaining, 234.343750 MB of memory in use. ENERGY: 3600400 3958.4854 20693.6908 14511.8499 239.6104 -202836.1375 2299.6088 0.0000 0.0000 52113.9420 -109018.9503 299.4995 -161132.8924 -108659.2291 300.7931 2.7086 28.0091 762260.6449 1.8802 1.6689 PRESSURE: 3600600 -17.8886 -84.6024 83.9277 -84.6012 -27.3788 51.7659 83.9284 51.767 -17.1057 GPRESSURE: 3600600 141.005 -70.1604 62.2065 -129.973 -67.2983 63.7308 54.0312 55.2991 -38.5554 PRESSAVG: 3600600 26.8464 -20.3703 7.86338 -20.3703 8.41938 11.5944 7.86343 11.5943 -1.6374 GPRESSAVG: 3600600 29.4812 -18.3817 8.14895 -21.1964 7.24801 13.3135 6.27701 9.03666 -2.68582 TIMING: 3600600 CPU: 11518.4, 0.00406884/step Wall: 11518.4, 0.00406884/step, 1.58165 hours remaining, 234.683594 MB of memory in use. ENERGY: 3600600 4085.2756 20592.3414 14463.6675 248.6674 -203142.7097 2504.7983 0.0000 0.0000 52347.8018 -108900.1578 300.8435 -161247.9596 -108534.9736 300.4428 -20.7911 11.7172 761087.6949 11.2095 11.3478 PRESSURE: 3600800 -14.8118 287.651 76.6659 287.651 -20.4572 155.359 76.6658 155.358 40.6806 GPRESSURE: 3600800 -10.673 211.46 121.449 257.82 62.2585 147.173 122.24 49.5846 27.8967 PRESSAVG: 3600800 -22.9652 -30.2574 -47.4216 -30.2574 -2.99754 -34.0498 -47.4216 -34.0497 -0.547697 GPRESSAVG: 3600800 -23.4781 -34.2272 -48.4853 -29.1505 -2.11498 -33.9663 -45.2065 -34.0921 -0.746915 TIMING: 3600800 CPU: 11519.2, 0.00405374/step Wall: 11519.2, 0.00405374/step, 1.57555 hours remaining, 234.683594 MB of memory in use. ENERGY: 3600800 4021.1098 20379.3141 14557.8909 240.3272 -203101.6557 2345.5927 0.0000 0.0000 52215.7667 -109341.6544 300.0847 -161557.4211 -108977.4861 300.2309 1.8039 26.4941 760380.5115 -8.8368 -8.7800 PRESSURE: 3601000 88.603 -10.5723 -16.0689 -10.5733 83.8644 -32.5891 -16.069 -32.5883 147.705 GPRESSURE: 3601000 20.0371 -50.6219 -10.4706 -21.7395 90.407 -39.539 -38.07 -75.0877 301.538 PRESSAVG: 3601000 -9.39453 14.2504 -17.6772 14.2503 45.2314 11.4204 -17.6773 11.4204 0.857238 GPRESSAVG: 3601000 -9.61658 15.8189 -15.7356 14.6667 43.3918 10.4268 -18.4156 10.5572 2.44984 TIMING: 3601000 CPU: 11520, 0.0040408/step Wall: 11520, 0.0040408/step, 1.5703 hours remaining, 234.683594 MB of memory in use. ENERGY: 3601000 3949.5037 20550.0463 14476.2362 251.0691 -203228.6867 2350.2370 0.0000 0.0000 52282.4027 -109369.1917 300.4677 -161651.5945 -109003.4566 299.7861 106.7241 137.3275 759032.9554 12.2314 12.0750 PRESSURE: 3601200 135.967 -66.2963 -257.033 -66.2958 -35.7277 81.6835 -257.034 81.683 130.304 GPRESSURE: 3601200 102.044 -62.5794 -374.247 9.09738 52.7381 146.795 -122.913 196.962 176.332 PRESSAVG: 3601200 -32.4458 -38.2789 -9.44563 -38.2789 61.6803 15.4103 -9.44565 15.4103 8.82602 GPRESSAVG: 3601200 -32.1341 -39.1531 -12.4206 -36.2699 62.2006 16.7717 -9.37984 15.2027 8.24241 TIMING: 3601200 CPU: 11520.8, 0.00398685/step Wall: 11520.8, 0.00398685/step, 1.54911 hours remaining, 234.683594 MB of memory in use. ENERGY: 3601200 4023.3449 20467.6855 14498.2371 251.7898 -203103.9660 2401.9858 0.0000 0.0000 51973.6588 -109487.2641 298.6933 -161460.9229 -109125.1021 299.5747 76.8480 110.3715 758737.8838 12.6868 12.7697 PRESSURE: 3601400 105.4 -111.6 -41.5932 -111.6 11.746 -125.878 -41.594 -125.878 27.5697 GPRESSURE: 3601400 146.945 54.3783 -149.76 -58.3661 7.7409 -186.88 -27.1538 -119.62 48.3188 PRESSAVG: 3601400 -1.25181 -55.3259 -29.8868 -55.3259 -8.66342 -8.13748 -29.8868 -8.13752 -4.00749 GPRESSAVG: 3601400 -2.60501 -54.4948 -26.8268 -55.2079 -7.88007 -9.71929 -28.93 -7.6673 -3.41871 TIMING: 3601400 CPU: 11521.6, 0.00403022/step Wall: 11521.6, 0.00403022/step, 1.56574 hours remaining, 234.683594 MB of memory in use. ENERGY: 3601400 3953.5157 20644.9653 14477.6852 248.9976 -203823.3170 2792.9278 0.0000 0.0000 52169.7729 -109535.4524 299.8204 -161705.2253 -109179.4843 299.4820 48.2387 67.6682 759984.2136 -4.6409 -4.6346 PRESSURE: 3601600 40.4463 5.23587 55.6928 5.23665 -2.80633 -99.2486 55.6927 -99.2489 201.924 GPRESSURE: 3601600 95.2282 -9.29726 80.9375 102.803 38.8754 -38.7915 173.76 -59.9257 200.791 PRESSAVG: 3601600 48.831 -76.3556 -10.3825 -76.3555 -60.9491 -37.1376 -10.3825 -37.1376 -28.6813 GPRESSAVG: 3601600 49.1369 -77.4727 -11.2333 -76.5532 -60.0136 -37.7691 -11.7429 -34.4533 -30.0982 TIMING: 3601600 CPU: 11522.4, 0.00404663/step Wall: 11522.4, 0.00404663/step, 1.57189 hours remaining, 234.683594 MB of memory in use. ENERGY: 3601600 3980.2769 20324.0046 14512.0701 247.8966 -203446.0272 2607.4997 0.0000 0.0000 52077.5374 -109696.7420 299.2903 -161774.2793 -109324.7577 299.3249 79.8548 111.6315 760906.3823 -13.5998 -13.6583 PRESSURE: 3601800 232.312 -23.6309 124.153 -23.6307 313.366 141.75 124.152 141.749 225.48 GPRESSURE: 3601800 235.114 -59.5235 -35.9487 27.4039 417.248 67.6813 154.1 143.387 211.882 PRESSAVG: 3601800 -22.2914 -59.9464 20.298 -59.9464 37.7423 -16.2506 20.2979 -16.2506 13.5703 GPRESSAVG: 3601800 -21.3558 -60.2585 22.3125 -60.3713 36.3886 -16.3455 18.1883 -16.9129 13.6638 TIMING: 3601800 CPU: 11523.2, 0.00403764/step Wall: 11523.2, 0.00403764/step, 1.56818 hours remaining, 234.683594 MB of memory in use. ENERGY: 3601800 3997.3586 20485.8419 14435.2345 266.4138 -203414.8167 2629.6348 0.0000 0.0000 51931.9624 -109668.3706 298.4537 -161600.3330 -109302.2629 299.1393 257.0531 288.0815 760091.5918 9.6738 9.5655 PRESSURE: 3602000 200.364 -141.62 -34.6567 -141.621 -298.988 -201.233 -34.6579 -201.234 -88.5487 GPRESSURE: 3602000 178.636 -71.695 28.9432 -127.723 -226.179 -161.74 -1.04328 -262.454 -32.8956 PRESSAVG: 3602000 -16.921 -17.3019 -8.23216 -17.3018 1.01491 -27.0793 -8.23222 -27.0793 -13.3943 GPRESSAVG: 3602000 -17.2961 -15.7081 -10.1176 -18.3559 0.473254 -26.9251 -6.63112 -28.4044 -12.5921 TIMING: 3602000 CPU: 11524, 0.00402841/step Wall: 11524, 0.00402841/step, 1.56437 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3602000 4002.7806 20643.6713 14435.6895 236.1754 -203704.9610 2705.3462 0.0000 0.0000 52030.5468 -109650.7512 299.0203 -161681.2980 -109295.4251 298.6752 -62.3906 -26.8128 760060.5507 -9.7668 -9.8050 PRESSURE: 3602200 -58.1524 -39.5828 -50.8904 -39.5823 270.575 17.5453 -50.8896 17.5458 146.212 GPRESSURE: 3602200 65.5023 -11.3441 -156.767 -21.1942 227.341 126.94 -66.6994 154.218 170.174 PRESSAVG: 3602200 24.5485 -17.7039 -22.0902 -17.7039 38.889 -10.9879 -22.0903 -10.988 -22.4541 GPRESSAVG: 3602200 24.8521 -17.2087 -21.4919 -17.6753 38.9591 -12.0953 -21.0937 -10.9608 -23.2927 TIMING: 3602200 CPU: 11524.9, 0.00402756/step Wall: 11524.9, 0.00402756/step, 1.56381 hours remaining, 234.683594 MB of memory in use. ENERGY: 3602200 3865.8900 20438.1956 14461.3317 262.2136 -203265.4823 2484.8674 0.0000 0.0000 52028.7330 -109724.2510 299.0098 -161752.9840 -109368.8833 298.9387 119.5450 154.3393 759107.6216 13.6611 13.5062 PRESSURE: 3602400 -122.682 -74.2654 -14.8197 -74.2657 121.98 -20.6923 -14.8199 -20.6928 -85.962 GPRESSURE: 3602400 -74.6265 -110.959 -95.1506 -178.066 119.103 -110.788 -31.5505 71.87 -45.2843 PRESSAVG: 3602400 7.13703 -15.9932 -18.6975 -15.9932 34.9144 -38.4884 -18.6975 -38.4884 -1.53356 GPRESSAVG: 3602400 6.18221 -15.9316 -20.3037 -17.9985 34.9701 -38.3865 -19.6046 -37.847 -0.737829 TIMING: 3602400 CPU: 11525.7, 0.004015/step Wall: 11525.7, 0.004015/step, 1.55871 hours remaining, 234.683594 MB of memory in use. ENERGY: 3602400 3907.4394 20506.1923 14511.6085 252.5417 -203144.1841 2557.2130 0.0000 0.0000 51875.9820 -109533.2072 298.1320 -161409.1892 -109169.3121 299.0775 -28.8881 -0.2694 760567.6570 13.5060 13.4715 PRESSURE: 3602600 248.437 -51.9658 -30.6186 -51.9661 -108.352 14.5282 -30.6195 14.5286 -270.67 GPRESSURE: 3602600 338.816 12.3509 19.6964 23.2516 -89.0368 59.9599 -99.5272 16.1913 -298.353 PRESSAVG: 3602600 46.1745 -23.6457 -11.2204 -23.6458 -30.7683 7.71371 -11.2204 7.71374 13.8784 GPRESSAVG: 3602600 46.0535 -25.0839 -10.8235 -20.9531 -30.4925 7.6362 -9.76579 6.74364 13.7965 TIMING: 3602600 CPU: 11526.5, 0.00404652/step Wall: 11526.5, 0.00404652/step, 1.57073 hours remaining, 234.683594 MB of memory in use. ENERGY: 3602600 3947.1645 20591.5505 14473.5023 235.4274 -203204.2403 2413.9639 0.0000 0.0000 51863.7616 -109678.8702 298.0618 -161542.6318 -109319.2425 299.5764 -43.5284 -16.1911 759716.1108 9.7615 9.7858 PRESSURE: 3602800 -25.2103 131.729 -151.176 131.728 -62.528 -25.6611 -151.178 -25.6612 -225.87 GPRESSURE: 3602800 9.73207 194.554 -288.687 138.295 -13.8503 -26.6517 -45.0117 1.17085 -203.359 PRESSAVG: 3602800 -12.8337 2.61075 -9.4264 2.61077 9.92773 21.7238 -9.42639 21.7238 -0.608781 GPRESSAVG: 3602800 -12.6657 2.60037 -11.1373 2.46153 10.6162 21.6985 -9.32272 21.6572 -0.886193 TIMING: 3602800 CPU: 11527.3, 0.00405965/step Wall: 11527.3, 0.00405965/step, 1.5756 hours remaining, 234.683594 MB of memory in use. ENERGY: 3602800 3900.0751 20460.4139 14397.7435 239.7193 -203614.3996 2652.0318 0.0000 0.0000 52233.0513 -109731.3648 300.1841 -161964.4161 -109364.1502 298.9227 -104.5362 -69.1592 760595.8750 -1.1716 -0.9786 PRESSURE: 3603000 -326.311 -81.106 -203.658 -81.1063 15.2874 135.189 -203.657 135.189 -184.468 GPRESSURE: 3603000 -258.69 -59.0288 -129.725 -25.3973 -32.5848 149.036 -120.957 63.0982 -136.684 PRESSAVG: 3603000 14.2065 -17.9246 -28.3613 -17.9246 20.1947 33.2027 -28.3613 33.2028 -14.2873 GPRESSAVG: 3603000 15.3437 -17.1267 -26.1033 -18.3305 18.7932 33.3261 -28.546 31.8641 -14.1552 TIMING: 3603000 CPU: 11528.1, 0.00405349/step Wall: 11528.1, 0.00405349/step, 1.57298 hours remaining, 234.683594 MB of memory in use. ENERGY: 3603000 3964.0550 20552.6014 14416.1437 257.9662 -203248.8955 2316.7316 0.0000 0.0000 51962.7341 -109778.6635 298.6305 -161741.3976 -109414.7512 299.1028 -165.1642 -142.6529 760036.0122 6.7046 6.6606 PRESSURE: 3603200 -38.39 -95.1645 1.40348 -95.1642 80.7021 87.9652 1.40362 87.9658 331.243 GPRESSURE: 3603200 63.8035 -48.5077 -90.8525 -78.0032 15.6508 65.9182 18.2523 -7.86844 359.446 PRESSAVG: 3603200 34.0076 -31.7704 -23.8746 -31.7704 -36.0734 29.7852 -23.8747 29.7852 17.7088 GPRESSAVG: 3603200 33.2002 -32.63 -25.3783 -32.8487 -35.2007 30.7876 -22.332 31.0641 17.8846 TIMING: 3603200 CPU: 11528.9, 0.00402114/step Wall: 11528.9, 0.00402114/step, 1.5602 hours remaining, 234.683594 MB of memory in use. ENERGY: 3603200 3937.5298 20583.7790 14478.2132 246.5083 -203726.8721 2695.6167 0.0000 0.0000 52071.3431 -109713.8820 299.2547 -161785.2251 -109353.4380 298.9507 124.5183 146.3002 760581.0605 5.2143 5.2947 PRESSURE: 3603400 128.35 5.92078 -210.094 5.92027 202.628 -48.3509 -210.093 -48.3508 110.772 GPRESSURE: 3603400 168.697 41.4961 -171.533 -123.096 192.144 -89.5782 -117.719 141.63 188.833 PRESSAVG: 3603400 7.51496 -99.9784 -1.49656 -99.9784 8.30877 31.1279 -1.4966 31.1279 -13.291 GPRESSAVG: 3603400 7.94732 -97.0832 -0.559036 -99.4637 8.40838 31.8864 -4.15134 31.4978 -13.3178 TIMING: 3603400 CPU: 11529.7, 0.00403859/step Wall: 11529.7, 0.00403859/step, 1.56675 hours remaining, 234.683594 MB of memory in use. ENERGY: 3603400 4014.6787 20383.7740 14460.0501 247.1367 -203228.0653 2389.2632 0.0000 0.0000 52144.6392 -109588.5234 299.6760 -161733.1626 -109227.9207 299.1494 147.2503 183.2246 760230.6942 0.8442 1.0127 PRESSURE: 3603600 514.233 96.026 95.4826 96.0264 60.261 150.267 95.4824 150.268 -155.032 GPRESSURE: 3603600 412.459 3.12979 186.085 22.8567 157.456 180.329 -84.8386 158.734 -85.925 PRESSAVG: 3603600 -20.013 -95.8953 -6.13063 -95.8954 -21.0736 -6.6623 -6.13063 -6.66233 -14.2883 GPRESSAVG: 3603600 -20.8724 -98.7717 -5.26947 -96.7763 -20.5513 -9.41575 -4.61992 -4.1028 -14.2312 TIMING: 3603600 CPU: 11530.5, 0.00405097/step Wall: 11530.5, 0.00405097/step, 1.57133 hours remaining, 234.683594 MB of memory in use. ENERGY: 3603600 4016.7049 20732.3288 14403.0542 220.2756 -203359.9633 2513.0889 0.0000 0.0000 51893.7226 -109580.7883 298.2339 -161474.5109 -109225.7681 298.9459 139.8208 161.3300 759538.7470 -18.4583 -18.5516 PRESSURE: 3603800 -166.384 -46.0299 122.698 -46.0298 -31.7932 113.205 122.699 113.205 -183.119 GPRESSURE: 3603800 -130.782 30.8175 113.742 -90.4093 0.0852694 148.392 65.9226 -37.0507 -169.223 PRESSAVG: 3603800 -1.20101 -29.3437 -17.1692 -29.3437 -4.6084 37.7946 -17.1693 37.7946 -7.80312 GPRESSAVG: 3603800 -0.0433143 -28.5353 -17.3106 -30.0425 -6.03239 38.0431 -18.1837 34.6218 -7.82814 TIMING: 3603800 CPU: 11531.3, 0.00401969/step Wall: 11531.3, 0.00401969/step, 1.55897 hours remaining, 234.683594 MB of memory in use. ENERGY: 3603800 3890.2368 20499.6680 14559.1213 253.9673 -203311.6871 2519.7489 0.0000 0.0000 51939.4627 -109649.4821 298.4968 -161588.9448 -109295.0343 299.1968 -127.0988 -99.9733 761357.0215 -4.5375 -4.6346 PRESSURE: 3604000 -93.9684 -33.4919 72.5379 -33.4917 -290.274 28.2048 72.5389 28.2053 346.416 GPRESSURE: 3604000 -73.5238 -26.5154 9.75915 -81.0707 -245.447 -35.3305 20.1223 87.726 352.223 PRESSAVG: 3604000 22.5228 -0.379406 -19.4468 -0.379405 -52.8796 34.774 -19.4469 34.7741 -12.2198 GPRESSAVG: 3604000 22.321 0.202796 -20.2508 1.98309 -51.7712 34.5864 -19.486 37.548 -12.9147 TIMING: 3604000 CPU: 11532.1, 0.0040207/step Wall: 11532.1, 0.0040207/step, 1.55914 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3604000 4022.9539 20608.1847 14499.5195 240.6542 -203195.7074 2505.6976 0.0000 0.0000 51971.7403 -109346.9572 298.6823 -161318.6975 -108982.4530 299.2257 -12.6086 11.0842 761813.5817 -14.1922 -14.1216 PRESSURE: 3604200 140.377 -90.8639 -207.513 -90.8647 -89.962 -103.255 -207.514 -103.255 -150.152 GPRESSURE: 3604200 103.132 -104.934 -224.075 -89.4082 2.14447 -47.5775 -149.396 -72.7719 -110.97 PRESSAVG: 3604200 -56.8866 -32.1321 -6.48484 -32.1321 29.8708 25.9857 -6.48486 25.9856 -12.2043 GPRESSAVG: 3604200 -58.5724 -32.8785 -7.02929 -32.9061 30.0034 27.8679 -6.33107 23.7612 -10.5493 TIMING: 3604200 CPU: 11532.9, 0.00399053/step Wall: 11532.9, 0.00399053/step, 1.54722 hours remaining, 234.683594 MB of memory in use. ENERGY: 3604200 3909.3823 20365.8227 14607.9694 245.1087 -203435.8390 2616.9812 0.0000 0.0000 52257.6019 -109432.9728 300.3252 -161690.5747 -109066.3258 300.0477 -33.2454 -1.8978 761830.1773 -13.0734 -13.0395 LDB: ============= START OF LOAD BALANCING ============== 11545.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11545.4 LDB: =============== DONE WITH MIGRATION ================ 11545.4 LDB: ============= START OF LOAD BALANCING ============== 11545.8 LDB: Largest compute 7033 load 0.031917 is 16.5% of average load 0.193267 LDB: Average compute 0.004465 is 2.3% of average load 0.193267 LDB: TIME 11545.8 LOAD: AVG 0.193267 MAX 0.214246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.984 MB LDB: TIME 11545.8 LOAD: AVG 0.193267 MAX 0.214246 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: TIME 11545.8 LOAD: AVG 0.193267 MAX 0.214246 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: ============== END OF LOAD BALANCING =============== 11545.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11545.8 PRESSURE: 3604400 161.098 -81.5418 6.06461 -81.5412 256.576 302.839 6.06473 302.839 -348.069 GPRESSURE: 3604400 240.497 30.4846 35.2457 -145.879 224.015 364.761 -67.7838 149.409 -301.146 PRESSAVG: 3604400 28.0757 -44.5498 -15.2184 -44.5499 -11.522 23.7559 -15.2184 23.7559 -8.56184 GPRESSAVG: 3604400 29.3099 -44.8554 -16.4125 -43.9112 -11.5298 23.4121 -13.713 24.0417 -10.159 TIMING: 3604400 CPU: 11533.7, 0.00407831/step Wall: 11533.7, 0.00407831/step, 1.58102 hours remaining, 234.343750 MB of memory in use. ENERGY: 3604400 4023.4731 20507.2352 14461.7308 240.5065 -203295.5573 2581.1821 0.0000 0.0000 51966.7703 -109514.6592 298.6537 -161481.4296 -109151.7979 299.4124 23.2016 54.4551 761220.7128 2.6639 2.5404 PRESSURE: 3604600 187.45 179.091 206.562 179.091 239.903 166.108 206.561 166.107 136.306 GPRESSURE: 3604600 208.1 28.601 249.046 221.595 251.693 102.789 115.524 19.5794 204.053 PRESSAVG: 3604600 67.5446 0.499488 19.6599 0.499464 -23.7771 55.0603 19.66 55.0603 -12.6325 GPRESSAVG: 3604600 68.4329 -0.184075 20.7905 0.8485 -24.814 54.7781 16.7839 52.976 -11.8397 TIMING: 3604600 CPU: 11534.5, 0.00403885/step Wall: 11534.5, 0.00403885/step, 1.5655 hours remaining, 234.343750 MB of memory in use. ENERGY: 3604600 4038.6424 20424.6489 14600.2910 254.5071 -203392.3346 2477.5300 0.0000 0.0000 52221.7082 -109375.0070 300.1189 -161596.7152 -109018.9898 299.5566 187.8862 221.2818 761482.2849 10.3783 10.5931 PRESSURE: 3604800 -182.358 32.8389 258.673 32.8388 -76.4943 64.5039 258.673 64.5022 179.561 GPRESSURE: 3604800 -110.391 -47.1174 248.92 -128.866 -27.5426 -12.7819 303.634 178.037 152.718 PRESSAVG: 3604800 -19.8244 -29.4292 8.42975 -29.4293 26.4309 5.95786 8.42978 5.95787 -42.2807 GPRESSAVG: 3604800 -19.8423 -29.4027 9.11308 -29.017 27.7796 5.82483 9.29819 8.0507 -43.58 TIMING: 3604800 CPU: 11535.3, 0.00400753/step Wall: 11535.3, 0.00400753/step, 1.55314 hours remaining, 234.343750 MB of memory in use. ENERGY: 3604800 3973.8953 20762.3964 14443.1109 255.7607 -203339.7764 2541.5465 0.0000 0.0000 52086.7206 -109276.3460 299.3431 -161363.0667 -108918.5845 300.2977 -26.4303 4.9280 761638.2546 -11.8914 -11.8809 PRESSURE: 3605000 -120.293 -52.1976 45.8391 -52.1978 -132.126 317.464 45.8394 317.464 -87.4885 GPRESSURE: 3605000 -96.8346 -108.144 106.99 -36.3588 -62.6951 238.29 73.1799 282.134 -105.072 PRESSAVG: 3605000 26.9604 -53.0176 3.93669 -53.0177 -39.5522 5.60595 3.93668 5.60601 5.62605 GPRESSAVG: 3605000 27.3043 -51.5541 6.0789 -54.2037 -40.0286 4.75989 1.76298 6.30376 5.87773 TIMING: 3605000 CPU: 11536.1, 0.00401537/step Wall: 11536.1, 0.00401537/step, 1.55595 hours remaining, 234.343750 MB of memory in use. ENERGY: 3605000 4043.3264 20551.7855 14473.7298 240.1015 -203403.1274 2492.5425 0.0000 0.0000 52195.0472 -109406.5946 299.9657 -161601.6418 -109045.5744 300.0660 -113.3027 -88.2005 760524.7706 -2.3219 -2.2822 PRESSURE: 3605200 141.082 -13.4511 -158.041 -13.452 60.4462 94.9453 -158.042 94.9449 37.1907 GPRESSURE: 3605200 206.027 -120.595 -132.642 -37.4897 63.761 42.2749 -268.665 96.4547 67.2044 PRESSAVG: 3605200 -8.59236 18.9848 33.6936 18.9847 -21.175 23.8666 33.6935 23.8665 -15.166 GPRESSAVG: 3605200 -7.94157 16.9612 31.7254 18.7005 -22.1178 23.5024 34.1095 21.7578 -15.0323 TIMING: 3605200 CPU: 11536.9, 0.00400312/step Wall: 11536.9, 0.00400312/step, 1.55099 hours remaining, 234.343750 MB of memory in use. ENERGY: 3605200 3972.1148 20543.6464 14447.1746 250.1880 -203277.2159 2468.1467 0.0000 0.0000 52092.5391 -109503.4063 299.3765 -161595.9454 -109141.3061 299.4670 79.5730 112.3309 763237.3081 -14.9778 -15.0306 PRESSURE: 3605400 154.715 -48.2763 -8.16134 -48.2772 16.1687 7.54452 -8.1614 7.54335 4.41916 GPRESSURE: 3605400 173.964 -76.7912 -65.3682 22.7905 85.6945 28.8179 -17.4466 36.6436 15.2366 PRESSAVG: 3605400 19.5225 -10.2771 36.4209 -10.2771 -26.2283 34.8794 36.4209 34.8793 18.4273 GPRESSAVG: 3605400 18.9354 -8.18903 35.5326 -9.4224 -25.4777 36.5088 39.5665 36.3232 17.8779 TIMING: 3605400 CPU: 11537.8, 0.00403795/step Wall: 11537.8, 0.00403795/step, 1.56426 hours remaining, 234.343750 MB of memory in use. ENERGY: 3605400 4011.4239 20450.9547 14500.0761 246.1579 -203352.0543 2580.2621 0.0000 0.0000 52099.6828 -109463.4968 299.4176 -161563.1795 -109098.8702 299.4367 58.4344 91.6317 760405.7921 3.9072 3.7785 PRESSURE: 3605600 -191.371 144.805 -16.9133 144.806 115.711 188.955 -16.9133 188.955 100.785 GPRESSURE: 3605600 -154.125 102.885 -10.5646 76.0771 160.93 214.789 -7.91255 46.0929 114.927 PRESSAVG: 3605600 7.03011 35.892 15.4278 35.8919 -17.067 9.85688 15.4278 9.85686 -2.74518 GPRESSAVG: 3605600 6.40085 36.0302 15.1585 36.1763 -16.906 9.1127 14.0561 8.79339 -2.14681 TIMING: 3605600 CPU: 11538.6, 0.00402693/step Wall: 11538.6, 0.00402693/step, 1.55976 hours remaining, 234.343750 MB of memory in use. ENERGY: 3605600 3967.4960 20653.8382 14503.9230 239.7523 -203647.9221 2811.2325 0.0000 0.0000 52162.7662 -109308.9138 299.7801 -161471.6801 -108946.8597 299.6199 8.3748 40.5775 760544.5143 -4.2607 -4.2173 PRESSURE: 3605800 187.732 -88.3457 -35.5163 -88.3463 -242.067 99.1991 -35.5164 99.2002 -309.623 GPRESSURE: 3605800 196.799 -3.48353 5.12797 -17.806 -130.762 69.4759 -128.58 106.676 -334.99 PRESSAVG: 3605800 45.954 -23.8996 54.9134 -23.8996 -39.8898 36.3194 54.9134 36.3193 18.1268 GPRESSAVG: 3605800 46.2042 -24.0491 55.1966 -25.5928 -39.1859 36.6795 53.749 37.1195 17.3787 TIMING: 3605800 CPU: 11539.4, 0.00402784/step Wall: 11539.4, 0.00402784/step, 1.55989 hours remaining, 234.343750 MB of memory in use. ENERGY: 3605800 4074.3570 20309.2268 14557.6554 253.7767 -203332.5408 2611.1371 0.0000 0.0000 52205.6907 -109320.6970 300.0268 -161526.3877 -108955.9751 299.5239 -121.3192 -89.6509 761585.5000 8.0637 8.1323 PRESSURE: 3606000 -103.768 179.087 -35.6433 179.088 121.3 -48.5323 -35.643 -48.5324 59.8042 GPRESSURE: 3606000 -54.2249 150.21 24.4472 237.036 162.275 22.8825 48.7454 49.3029 38.6136 PRESSAVG: 3606000 28.6549 44.3263 -54.3925 44.3263 -69.326 -0.380912 -54.3925 -0.380956 -7.83151 GPRESSAVG: 3606000 28.7061 44.6164 -54.9384 45.5784 -70.8017 0.0348892 -54.3201 -1.16643 -6.56754 TIMING: 3606000 CPU: 11540.2, 0.00401316/step Wall: 11540.2, 0.00401316/step, 1.55399 hours remaining, 234.343750 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: 3606000 3914.9800 20470.6188 14523.6383 236.3737 -203362.0403 2726.7126 0.0000 0.0000 52168.6654 -109321.0515 299.8140 -161489.7170 -108952.0746 300.0315 25.7788 48.8881 761067.5497 -16.1675 -16.2210 PRESSURE: 3606200 -52.0829 -269.473 87.4762 -269.473 -288.601 56.919 87.4764 56.9197 116.625 GPRESSURE: 3606200 -77.837 -390.029 41.71 -174.81 -201.132 112.218 46.6614 -11.001 157.242 PRESSAVG: 3606200 46.2156 -31.2804 -38.6862 -31.2804 -11.4451 51.9221 -38.6862 51.9221 4.92732 GPRESSAVG: 3606200 45.762 -34.4459 -39.9687 -30.7614 -10.5693 52.8117 -37.3339 52.9677 4.45278 TIMING: 3606200 CPU: 11541, 0.00401343/step Wall: 11541, 0.00401343/step, 1.55387 hours remaining, 234.343750 MB of memory in use. ENERGY: 3606200 3920.4665 20501.7414 14547.5785 225.1706 -203019.2148 2377.6191 0.0000 0.0000 52195.3154 -109251.3233 299.9672 -161446.6387 -108884.2529 299.6280 -74.6865 -40.5756 761031.7824 13.2326 13.2152 PRESSURE: 3606400 -57.4161 36.0331 -32.7887 36.0328 -135.028 -212.69 -32.7891 -212.691 -199.27 GPRESSURE: 3606400 32.617 -53.9971 -7.58702 51.3804 -75.4609 -215.833 -108.495 -182.377 -255.774 PRESSAVG: 3606400 88.25 -69.6736 -13.1237 -69.6736 6.26 -11.6424 -13.1237 -11.6425 -29.4196 GPRESSAVG: 3606400 87.9311 -67.125 -12.0966 -69.1903 7.60162 -13.2437 -13.1862 -11.8126 -29.8743 TIMING: 3606400 CPU: 11541.8, 0.00405649/step Wall: 11541.8, 0.00405649/step, 1.57031 hours remaining, 234.343750 MB of memory in use. ENERGY: 3606400 4012.9077 20395.2236 14500.4925 240.6673 -203396.4890 2482.4746 0.0000 0.0000 52251.3197 -109513.4036 300.2891 -161764.7233 -109146.5766 299.6472 -130.5713 -99.5393 762010.4580 21.6968 21.8861 PRESSURE: 3606600 106.417 -106.816 69.433 -106.816 80.6296 -41.69 69.4335 -41.6892 -204.196 GPRESSURE: 3606600 122.205 -108.801 41.3717 -184.065 70.5696 27.504 89.6742 -86.2179 -95.5141 PRESSAVG: 3606600 53.3798 -47.0778 8.70569 -47.0778 -47.0467 -43.2972 8.70569 -43.2972 7.81469 GPRESSAVG: 3606600 55.0555 -47.1704 9.57157 -49.5209 -49.1381 -42.4289 8.35408 -43.745 8.78544 TIMING: 3606600 CPU: 11542.6, 0.00401606/step Wall: 11542.6, 0.00401606/step, 1.55444 hours remaining, 234.343750 MB of memory in use. ENERGY: 3606600 4015.6431 20678.2466 14555.2956 253.8393 -203452.2170 2360.6176 0.0000 0.0000 52092.0524 -109496.5223 299.3737 -161588.5747 -109131.5808 299.7959 -5.7165 32.4201 761392.9292 4.7159 4.9010 PRESSURE: 3606800 -41.6098 25.1139 249.354 25.1135 -37.357 -40.0881 249.354 -40.0878 77.7771 GPRESSURE: 3606800 18.3294 -26.9514 335.936 -41.5262 7.45146 5.15134 67.0608 -140.102 65.3204 PRESSAVG: 3606800 42.4534 -54.8205 -25.577 -54.8205 -31.953 -25.2797 -25.577 -25.2797 5.30028 GPRESSAVG: 3606800 41.9266 -53.1331 -26.5928 -55.1635 -30.5837 -24.8051 -27.8759 -25.1681 4.60041 TIMING: 3606800 CPU: 11543.4, 0.00403121/step Wall: 11543.4, 0.00403121/step, 1.56008 hours remaining, 234.414062 MB of memory in use. ENERGY: 3606800 3913.5637 20595.6313 14580.8719 259.8152 -203501.5381 2421.8749 0.0000 0.0000 52517.1211 -109212.6600 301.8166 -161729.7811 -108843.4772 299.8902 -0.3966 30.3671 759724.5484 5.2669 5.3144 PRESSURE: 3607000 -11.8635 -44.8996 -86.4607 -44.9003 -61.0462 -51.8452 -86.4612 -51.8452 -59.9808 GPRESSURE: 3607000 -50.4072 -63.0582 -113.837 19.7848 117.663 -82.9522 79.1094 12.1179 -130.241 PRESSAVG: 3607000 65.6335 -29.4883 -16.4014 -29.4883 -37.1441 -26.2943 -16.4014 -26.2944 0.338261 GPRESSAVG: 3607000 64.0155 -31.9033 -14.0031 -27.5768 -35.5305 -26.4752 -16.1172 -26.8927 0.321703 TIMING: 3607000 CPU: 11544.2, 0.00400358/step Wall: 11544.2, 0.00400358/step, 1.54916 hours remaining, 234.414062 MB of memory in use. ENERGY: 3607000 4042.3633 20484.3655 14581.2039 232.7076 -203683.0325 2726.6798 0.0000 0.0000 52250.3248 -109365.3877 300.2833 -161615.7125 -108994.2550 300.3099 -44.2968 -20.9951 759090.7643 9.6092 9.6022 PRESSURE: 3607200 -27.5237 -17.4562 -174.064 -17.4564 -275.68 -88.1762 -174.064 -88.1763 -150.927 GPRESSURE: 3607200 -19.1403 -30.2324 -213.093 -9.46361 -191.894 -81.2374 -71.8791 12.7851 -142.814 PRESSAVG: 3607200 55.2578 -59.5277 1.37935 -59.5276 -30.1206 13.8511 1.37942 13.8511 6.7123 GPRESSAVG: 3607200 56.4402 -59.3744 -0.576149 -61.5859 -32.0041 13.8865 2.60889 13.7181 7.31427 TIMING: 3607200 CPU: 11545, 0.00401331/step Wall: 11545, 0.00401331/step, 1.55271 hours remaining, 234.414062 MB of memory in use. ENERGY: 3607200 4067.6644 20545.4906 14500.6930 251.5821 -203595.4734 2617.2223 0.0000 0.0000 51894.3315 -109718.4894 298.2374 -161612.8209 -109364.8637 299.4789 -151.3769 -117.9493 761352.5609 10.6165 10.5835 PRESSURE: 3607400 -288.501 -18.3952 -137.347 -18.3953 -295.236 15.144 -137.347 15.1434 -256.14 GPRESSURE: 3607400 -270.82 -25.929 -141.798 -42.9538 -288.556 31.5223 -6.69571 -44.2788 -181.724 PRESSAVG: 3607400 -31.6095 -58.8285 -24.5245 -58.8285 -50.1781 6.12004 -24.5244 6.12012 11.2522 GPRESSAVG: 3607400 -31.8299 -57.7441 -23.5082 -58.252 -49.8715 6.21353 -24.2085 6.91562 10.8515 TIMING: 3607400 CPU: 11545.8, 0.00402085/step Wall: 11545.8, 0.00402085/step, 1.5554 hours remaining, 234.414062 MB of memory in use. ENERGY: 3607400 3959.1479 20578.4469 14552.6181 248.9818 -203080.9384 2236.7350 0.0000 0.0000 51918.1846 -109586.8241 298.3745 -161505.0088 -109211.6760 298.5466 -279.9591 -247.0336 761696.9938 -23.5118 -23.6166 PRESSURE: 3607600 -158.436 -68.8538 -222.101 -68.8542 39.6117 -256.823 -222.101 -256.822 -161.178 GPRESSURE: 3607600 -114.838 -11.9866 -173.661 -66.6818 47.8613 -198.31 -177.627 -214.471 -125.808 PRESSAVG: 3607600 23.1829 1.83506 -2.79371 1.83507 -73.4786 -19.9653 -2.79368 -19.9654 2.71711 GPRESSAVG: 3607600 22.7488 1.4613 -1.98087 1.8122 -73.3133 -19.9994 -3.60563 -18.7829 2.59496 TIMING: 3607600 CPU: 11546.6, 0.00405618/step Wall: 11546.6, 0.00405618/step, 1.56884 hours remaining, 234.414062 MB of memory in use. ENERGY: 3607600 3922.8315 20473.2758 14535.3166 240.6965 -203463.6707 2518.9722 0.0000 0.0000 52115.7696 -109656.8086 299.5100 -161772.5781 -109281.7323 298.8428 -93.3340 -64.2615 762086.5961 -15.8595 -15.9898 PRESSURE: 3607800 -93.2227 78.6308 -69.9432 78.6311 -205.715 -41.0122 -69.9433 -41.013 117.207 GPRESSURE: 3607800 -0.982327 132.363 -104.004 76.2102 -239.725 -124.461 -39.1716 11.5806 147.03 PRESSAVG: 3607800 25.0809 -13.3418 -4.01829 -13.3418 -31.8811 -7.17665 -4.01824 -7.17664 -0.524256 GPRESSAVG: 3607800 25.4934 -11.9834 -5.40865 -12.9995 -31.0823 -7.68157 -3.87003 -8.85287 -1.35014 TIMING: 3607800 CPU: 11547.4, 0.0040331/step Wall: 11547.4, 0.0040331/step, 1.55969 hours remaining, 234.414062 MB of memory in use. ENERGY: 3607800 3989.9466 20399.6658 14447.8689 251.3685 -203067.1315 2131.3053 0.0000 0.0000 52180.8059 -109666.1705 299.8838 -161846.9764 -109302.1427 298.9188 -60.5770 -31.2257 760677.8677 -2.4415 -2.3130 PRESSURE: 3608000 229.925 -97.1774 148.235 -97.1758 -242.61 -135.562 148.235 -135.563 5.53343 GPRESSURE: 3608000 137.099 -12.7752 81.0582 -203.73 -140.54 -97.3211 84.8776 -88.5801 69.2265 PRESSAVG: 3608000 37.5773 -60.8703 -45.6676 -60.8703 -45.5802 -66.6408 -45.6676 -66.6408 -5.80223 GPRESSAVG: 3608000 38.1753 -61.3343 -45.4643 -61.8723 -47.3391 -65.914 -46.1643 -65.6176 -5.05074 TIMING: 3608000 CPU: 11548.2, 0.00401885/step Wall: 11548.2, 0.00401885/step, 1.55396 hours remaining, 234.414062 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: 3608000 3943.8254 20666.6253 14476.1413 241.7181 -203400.4388 2314.4422 0.0000 0.0000 52187.2308 -109570.4558 299.9207 -161757.6866 -109208.2165 299.0723 -2.3838 21.9286 759355.0714 -4.6017 -4.7382 PRESSURE: 3608200 12.4381 -208.576 193.625 -208.577 -76.3787 51.0993 193.625 51.1005 -289.31 GPRESSURE: 3608200 86.7533 -215.073 192.711 -117.013 -136.026 23.5778 153.12 -89.1296 -230.218 PRESSAVG: 3608200 40.7256 -82.9504 -49.0142 -82.9504 -39.4573 9.23051 -49.0141 9.23048 -7.21873 GPRESSAVG: 3608200 40.6564 -84.4426 -48.7492 -81.6986 -39.0268 8.54693 -48.9047 8.72958 -7.07285 TIMING: 3608200 CPU: 11549, 0.00402917/step Wall: 11549, 0.00402917/step, 1.55772 hours remaining, 234.414062 MB of memory in use. ENERGY: 3608200 4032.1280 20573.0346 14491.8762 244.6994 -203368.8090 2457.4734 0.0000 0.0000 51908.3996 -109661.1977 298.3183 -161569.5973 -109292.7031 298.9403 -117.7501 -93.1636 761412.8589 -1.9835 -1.8144 LDB: ============= START OF LOAD BALANCING ============== 11561.5 LDB: ============== END OF LOAD BALANCING =============== 11561.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11561.5 LDB: ============= START OF LOAD BALANCING ============== 11561.9 LDB: Largest compute 7033 load 0.032917 is 17.0% of average load 0.193287 LDB: Average compute 0.004438 is 2.3% of average load 0.193287 LDB: TIME 11561.9 LOAD: AVG 0.193287 MAX 0.211679 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.629 MB LDB: TIME 11561.9 LOAD: AVG 0.193287 MAX 0.211679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.629 MB LDB: TIME 11561.9 LOAD: AVG 0.193287 MAX 0.211679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.629 MB LDB: ============== END OF LOAD BALANCING =============== 11561.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11562 PRESSURE: 3608400 145.715 -85.0285 32.4724 -85.0293 -32.6271 -51.3364 32.4718 -51.3371 153.915 GPRESSURE: 3608400 171.627 -92.2955 -21.6245 0.853043 8.0002 -38.5066 27.1451 -51.7965 184.496 PRESSAVG: 3608400 21.8782 -58.2094 4.11425 -58.2094 -54.4153 -10.9681 4.11424 -10.9681 -6.728 GPRESSAVG: 3608400 23.1383 -56.5497 3.88242 -58.0217 -55.5358 -12.2629 5.15979 -7.48555 -6.60742 TIMING: 3608400 CPU: 11549.8, 0.00410474/step Wall: 11549.8, 0.00410474/step, 1.58671 hours remaining, 232.800781 MB of memory in use. ENERGY: 3608400 3996.6086 20438.0030 14498.6248 251.0285 -203286.2527 2397.5059 0.0000 0.0000 52135.8096 -109568.6723 299.6252 -161704.4819 -109201.6658 299.2041 89.0010 121.3743 761100.7357 -13.0884 -13.0016 PRESSURE: 3608600 -456.467 -7.04479 -24.6194 -7.04493 114.657 79.5141 -24.6197 79.5146 179.412 GPRESSURE: 3608600 -297.492 0.592952 -18.826 123.389 92.1606 125.493 -133.163 -10.1231 128.41 PRESSAVG: 3608600 -42.331 -68.0452 -17.637 -68.0452 39.1501 -37.302 -17.637 -37.302 11.8556 GPRESSAVG: 3608600 -44.2561 -69.34 -18.0028 -67.3598 40.85 -35.5483 -18.1506 -43.1701 11.5047 TIMING: 3608600 CPU: 11550.7, 0.00404425/step Wall: 11550.7, 0.00404425/step, 1.5631 hours remaining, 233.058594 MB of memory in use. ENERGY: 3608600 3969.5077 20444.5997 14574.7822 245.3164 -202836.2251 2174.9518 0.0000 0.0000 51854.3113 -109572.7561 298.0074 -161427.0674 -109203.7316 299.3911 -54.1327 -25.6404 760712.8302 2.8915 2.6995 PRESSURE: 3608800 67.8212 -104.378 -174.768 -104.379 -290.626 -77.9227 -174.768 -77.9224 -235.198 GPRESSURE: 3608800 114.831 -180.516 -146.505 -45.8797 -267.688 36.2458 -236.471 19.2575 -198.689 PRESSAVG: 3608800 1.35877 -67.0688 -12.5295 -67.0688 -5.56979 -17.1707 -12.5295 -17.1707 3.79293 GPRESSAVG: 3608800 2.28764 -65.6641 -10.7096 -69.4473 -7.49189 -18.3144 -11.1173 -14.3387 4.30087 TIMING: 3608800 CPU: 11551.5, 0.00408593/step Wall: 11551.5, 0.00408593/step, 1.57899 hours remaining, 233.058594 MB of memory in use. ENERGY: 3608800 4033.3453 20504.4931 14449.7604 241.8088 -203583.0548 2726.9595 0.0000 0.0000 52094.1621 -109532.5257 299.3859 -161626.6878 -109174.7917 299.2857 -152.6676 -117.1821 759524.5694 -0.1394 -0.3011 PRESSURE: 3609000 80.8606 -42.187 -184.823 -42.1871 -423.967 -189.312 -184.824 -189.313 -121.557 GPRESSURE: 3609000 110.288 -134.752 -248.185 -12.5304 -297.499 -175.225 -109.498 -133.8 -183.114 PRESSAVG: 3609000 22.0719 -47.0208 -9.84325 -47.0209 -34.7455 -36.4664 -9.84324 -36.4664 10.7144 GPRESSAVG: 3609000 20.6147 -48.774 -10.926 -45.5528 -33.048 -35.5224 -10.6122 -38.0296 10.4627 TIMING: 3609000 CPU: 11552.3, 0.00402489/step Wall: 11552.3, 0.00402489/step, 1.55517 hours remaining, 233.058594 MB of memory in use. ENERGY: 3609000 3986.5705 20398.7307 14433.7290 267.8395 -203454.3505 2597.9938 0.0000 0.0000 52155.2021 -109614.2849 299.7367 -161769.4870 -109255.9922 298.9307 -154.8879 -123.4415 760282.6909 -0.6531 -0.6568 PRESSURE: 3609200 -71.4668 1.6727 -43.4604 1.67239 -125.542 45.3873 -43.4608 45.3872 301.332 GPRESSURE: 3609200 -70.4045 -104.584 -85.3232 -109.42 -66.7538 -14.9551 80.6062 8.32959 320.631 PRESSAVG: 3609200 11.8669 -80.8178 48.6025 -80.8178 -26.1521 39.3764 48.6024 39.3765 9.34154 GPRESSAVG: 3609200 12.0707 -78.5061 47.7801 -82.3924 -26.502 39.3419 47.4087 38.2907 9.1285 TIMING: 3609200 CPU: 11553.1, 0.00401193/step Wall: 11553.1, 0.00401193/step, 1.54994 hours remaining, 233.058594 MB of memory in use. ENERGY: 3609200 4044.4018 20518.5741 14473.8854 229.2878 -203501.4090 2360.1681 0.0000 0.0000 52082.1300 -109792.9618 299.3167 -161875.0918 -109430.3699 299.2988 34.7743 61.1576 759813.5287 -1.6479 -1.7676 PRESSURE: 3609400 -174.793 96.0464 134.81 96.0455 -185.437 -167.652 134.81 -167.653 -71.049 GPRESSURE: 3609400 -76.5157 106.008 89.4312 32.9232 -236.67 -103.719 204.327 -94.2213 -26.5742 PRESSAVG: 3609400 0.949301 -29.8808 -12.8868 -29.8808 -31.7166 -1.92131 -12.8867 -1.92129 23.652 GPRESSAVG: 3609400 2.44029 -32.6032 -12.0524 -27.8515 -32.8899 -1.41608 -12.0781 -0.834961 24.013 TIMING: 3609400 CPU: 11553.9, 0.00404756/step Wall: 11553.9, 0.00404756/step, 1.56348 hours remaining, 233.058594 MB of memory in use. ENERGY: 3609400 3995.4791 20446.6097 14429.4873 239.9439 -203395.9823 2364.7584 0.0000 0.0000 51974.0194 -109945.6847 298.6954 -161919.7040 -109578.6479 298.6279 -143.7598 -113.2534 760080.2328 -2.3718 -2.1455 PRESSURE: 3609600 47.175 -100.349 59.05 -100.348 -93.7489 111.315 59.0496 111.314 -154.061 GPRESSURE: 3609600 27.4563 -11.6044 53.533 -182.336 16.724 198.92 -20.4828 101.052 -147.627 PRESSAVG: 3609600 18.7934 -42.7889 39.1288 -42.7889 1.0883 2.83172 39.1288 2.83164 -4.56644 GPRESSAVG: 3609600 17.9377 -41.4878 37.0965 -43.7712 2.86391 1.00889 39.9819 3.57629 -5.10636 TIMING: 3609600 CPU: 11554.7, 0.00403942/step Wall: 11554.7, 0.00403942/step, 1.56011 hours remaining, 233.058594 MB of memory in use. ENERGY: 3609600 4003.7933 20544.1645 14471.0567 231.8085 -203415.4979 2276.4865 0.0000 0.0000 51934.7011 -109953.4874 298.4694 -161888.1885 -109598.4626 298.4632 -66.8782 -34.4823 758244.2522 5.1051 5.2317 PRESSURE: 3609800 -11.3897 -181.796 -226.503 -181.797 -363.765 33.2366 -226.504 33.2363 341.109 GPRESSURE: 3609800 7.05466 -134.423 -154.7 -254.922 -276.377 -24.0185 -267.53 -168.288 321 PRESSAVG: 3609800 75.85 -67.4778 18.7341 -67.4779 -62.3208 -17.8579 18.734 -17.8578 16.8764 GPRESSAVG: 3609800 75.2259 -67.6908 21.6435 -67.4434 -61.73 -16.6411 17.1419 -18.0071 16.5196 TIMING: 3609800 CPU: 11555.5, 0.00403786/step Wall: 11555.5, 0.00403786/step, 1.55929 hours remaining, 233.128906 MB of memory in use. ENERGY: 3609800 3997.4679 20537.8987 14432.4722 237.0466 -203099.1560 2144.2265 0.0000 0.0000 51928.4979 -109821.5462 298.4338 -161750.0440 -109451.0023 298.7634 -11.3486 17.2257 759634.3552 10.1352 10.0052 PRESSURE: 3610000 80.1201 55.4783 83.8597 55.477 -126.553 32.6845 83.8594 32.6844 61.0556 GPRESSURE: 3610000 80.9468 -110.171 124.898 50.5241 -45.9434 33.8906 68.4581 -4.4878 70.3633 PRESSAVG: 3610000 -9.59353 -48.6768 -31.4812 -48.6767 -5.94143 41.0436 -31.4812 41.0437 -15.7887 GPRESSAVG: 3610000 -9.40019 -47.6775 -33.4194 -46.9722 -7.38945 40.7521 -29.229 41.8594 -15.1984 TIMING: 3610000 CPU: 11556.3, 0.00402879/step Wall: 11556.3, 0.00402879/step, 1.55556 hours remaining, 233.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3610000 3921.0313 20510.2174 14486.2108 246.9249 -203714.4224 2565.2563 0.0000 0.0000 51989.3330 -109995.4487 298.7834 -161984.7817 -109634.4893 298.5655 4.8742 35.1222 759967.0231 -10.4412 -10.6627 PRESSURE: 3610200 303.241 -79.1899 43.8504 -79.1895 -380.347 -84.4075 43.8504 -84.4079 -184.154 GPRESSURE: 3610200 303.716 -59.9371 38.6881 -65.8382 -321.873 -62.7882 89.8499 83.1973 -159.84 PRESSAVG: 3610200 -0.360538 -47.9386 -12.7276 -47.9387 -24.275 5.38027 -12.7275 5.38024 28.7711 GPRESSAVG: 3610200 -0.746504 -48.8834 -12.9319 -51.034 -24.3723 4.16726 -12.7303 6.5152 29.0426 TIMING: 3610200 CPU: 11557.1, 0.00403838/step Wall: 11557.1, 0.00403838/step, 1.55904 hours remaining, 233.128906 MB of memory in use. ENERGY: 3610200 3964.9454 20614.4472 14493.5230 230.2834 -204118.0361 2695.3728 0.0000 0.0000 52121.9153 -109997.5490 299.5454 -162119.4644 -109638.3395 298.9274 -87.0869 -59.3323 757709.3214 1.3785 1.3079 PRESSURE: 3610400 -178.412 -123.501 -185.239 -123.501 -271.236 96.5378 -185.239 96.5385 -73.5633 GPRESSURE: 3610400 -144.781 -81.8593 -214.157 -104.047 -235.809 84.8502 -200.998 128.768 -53.9525 PRESSAVG: 3610400 29.2186 -68.7255 -37.8891 -68.7254 -56.981 -14.0164 -37.8892 -14.0163 -22.7953 GPRESSAVG: 3610400 28.7986 -68.5813 -36.97 -66.3042 -56.428 -12.4681 -39.189 -15.1152 -23.0109 TIMING: 3610400 CPU: 11557.9, 0.00398537/step Wall: 11557.9, 0.00398537/step, 1.53835 hours remaining, 233.128906 MB of memory in use. ENERGY: 3610400 3956.3133 20468.4090 14407.9275 266.0434 -203607.8734 2475.0255 0.0000 0.0000 51969.7787 -110064.3759 298.6710 -162034.1547 -109705.8494 298.5318 -174.4037 -144.8473 761102.6872 -16.8526 -16.8801 PRESSURE: 3610600 22.2856 4.21121 -223.261 4.2131 -82.8477 103.39 -223.261 103.391 -282.374 GPRESSURE: 3610600 -36.8592 -46.4113 -128.812 57.7191 -28.0578 108.02 -173.177 170.868 -197.835 PRESSAVG: 3610600 -20.1498 -8.80257 -5.48001 -8.80257 26.6077 27.3582 -5.4801 27.3582 35.3636 GPRESSAVG: 3610600 -20.1446 -8.84611 -6.87579 -10.2657 26.3196 27.0163 -4.43478 29.4092 36.0368 TIMING: 3610600 CPU: 11558.7, 0.00400766/step Wall: 11558.7, 0.00400766/step, 1.54674 hours remaining, 233.128906 MB of memory in use. ENERGY: 3610600 3962.4335 20705.9930 14460.3635 262.9146 -203641.3189 2401.6911 0.0000 0.0000 51735.7156 -110112.2074 297.3259 -161847.9231 -109754.3586 298.3612 -114.3121 -87.5842 760794.1900 13.9405 14.0706 PRESSURE: 3610800 -74.0652 -85.7424 -94.403 -85.7425 -317.893 -220.931 -94.4033 -220.931 364.153 GPRESSURE: 3610800 -14.9125 -68.3275 -146.497 78.2782 -276.824 -240.408 16.9036 -179.776 337.047 PRESSAVG: 3610800 64.672 24.7824 -11.4364 24.7825 -5.52775 1.91105 -11.4364 1.91107 -0.871576 GPRESSAVG: 3610800 64.4757 25.2363 -9.45545 25.6369 -4.89677 1.55646 -12.2498 -1.09771 -1.32546 TIMING: 3610800 CPU: 11559.5, 0.00401247/step Wall: 11559.5, 0.00401247/step, 1.54837 hours remaining, 233.128906 MB of memory in use. ENERGY: 3610800 4014.2161 20573.5018 14514.5561 254.6866 -203575.4532 2324.6018 0.0000 0.0000 51617.8335 -110276.0574 296.6484 -161893.8908 -109920.3161 298.0070 -9.2685 15.1036 758208.4950 19.4242 19.4178 PRESSURE: 3611000 -80.1296 100.997 -6.11603 100.996 34.2647 34.7731 -6.11639 34.7734 -316.824 GPRESSURE: 3611000 -45.9084 36.7973 45.4426 53.4896 -12.5957 -57.156 58.958 1.70872 -218.26 PRESSAVG: 3611000 8.89094 27.6194 -14.8519 27.6194 -11.1757 71.7795 -14.8518 71.7796 21.5406 GPRESSAVG: 3611000 9.80707 26.7458 -14.5913 28.1825 -11.7694 70.3231 -14.6422 72.2865 21.5812 TIMING: 3611000 CPU: 11560.3, 0.00400595/step Wall: 11560.3, 0.00400595/step, 1.54563 hours remaining, 233.128906 MB of memory in use. ENERGY: 3611000 4040.7374 20547.3178 14508.7665 260.7630 -203900.3132 2575.7799 0.0000 0.0000 51845.2069 -110121.7416 297.9551 -161966.9485 -109772.3835 298.6921 -120.8965 -92.2548 758974.3609 6.4186 6.5396 PRESSURE: 3611200 -47.0763 204.53 -114.142 204.529 -42.2338 -367.822 -114.142 -367.822 266.065 GPRESSURE: 3611200 4.94666 76.7062 -93.5048 193.19 46.8588 -315.187 -163.732 -252.311 216.884 PRESSAVG: 3611200 53.9067 4.48579 -62.3565 4.48573 -11.0423 20.0969 -62.3565 20.0969 5.56423 GPRESSAVG: 3611200 54.9759 4.84902 -61.3538 2.58798 -11.7245 20.8796 -63.7608 20.8786 5.33877 TIMING: 3611200 CPU: 11561.1, 0.00399926/step Wall: 11561.1, 0.00399926/step, 1.54283 hours remaining, 233.128906 MB of memory in use. ENERGY: 3611200 3948.7519 20456.8381 14522.4638 234.3556 -203777.2419 2509.5151 0.0000 0.0000 52046.1994 -110059.1179 299.1102 -162105.3173 -109696.3161 298.7145 58.9184 89.5630 758680.5451 16.1429 16.1967 PRESSURE: 3611400 -16.8586 -57.8529 -47.6476 -57.8529 -56.3562 22.1728 -47.646 22.1729 121.918 GPRESSURE: 3611400 -28.0607 -101.627 -29.6771 -66.487 -42.9205 27.9708 -71.5262 9.02524 202.026 PRESSAVG: 3611400 32.0303 -6.67306 -45.4613 -6.673 -25.876 11.4659 -45.4612 11.466 -9.72455 GPRESSAVG: 3611400 30.8866 -5.76511 -48.1604 -5.9137 -26.3305 12.1271 -44.1804 10.5049 -8.24498 TIMING: 3611400 CPU: 11561.9, 0.00402676/step Wall: 11561.9, 0.00402676/step, 1.55321 hours remaining, 233.128906 MB of memory in use. ENERGY: 3611400 4006.6045 20380.2756 14512.2309 223.2572 -203858.3733 2663.9319 0.0000 0.0000 51842.3107 -110229.7625 297.9385 -162072.0732 -109861.6394 298.3189 16.2343 43.6817 760043.0577 -1.1901 -1.2296 PRESSURE: 3611600 -107.642 -59.0325 -31.1915 -59.0325 -190.254 -33.4758 -31.1907 -33.4759 364.645 GPRESSURE: 3611600 -108.32 -50.6961 -72.3606 57.6553 -113.744 16.7179 43.5718 -46.8326 390.88 PRESSAVG: 3611600 -1.70474 44.5487 -34.6857 44.5488 -6.4166 73.315 -34.6858 73.3149 -3.23134 GPRESSAVG: 3611600 -1.18246 43.0898 -34.1051 47.9917 -5.39216 74.3836 -37.3136 72.9764 -4.7838 TIMING: 3611600 CPU: 11562.7, 0.00400686/step Wall: 11562.7, 0.00400686/step, 1.54531 hours remaining, 233.128906 MB of memory in use. ENERGY: 3611600 3950.7743 20506.5151 14540.8795 271.8907 -204070.2878 2769.9937 0.0000 0.0000 51723.2328 -110307.0017 297.2541 -162030.2345 -109958.3765 297.9783 22.2496 56.2720 761028.3869 -3.7842 -3.7861 PRESSURE: 3611800 -232.98 252.283 -112.49 252.284 -353.948 195.996 -112.489 195.996 -57.9986 GPRESSURE: 3611800 -206.31 201.767 -75.4165 335.016 -243.999 150.072 -176.359 205.838 -112.916 PRESSAVG: 3611800 -63.3683 5.1728 20.7664 5.17293 5.34266 83.9845 20.7664 83.9844 -0.560359 GPRESSAVG: 3611800 -63.1799 4.51874 20.3492 2.02945 4.70393 82.319 23.2105 84.371 -0.564883 TIMING: 3611800 CPU: 11563.5, 0.0040368/step Wall: 11563.5, 0.0040368/step, 1.55663 hours remaining, 233.128906 MB of memory in use. ENERGY: 3611800 4029.0983 20448.3072 14551.2911 240.4390 -203326.2252 2059.5652 0.0000 0.0000 51741.8227 -110255.7017 297.3610 -161997.5244 -109891.7390 297.9870 -214.9753 -187.7418 760475.8342 -19.5287 -19.6803 PRESSURE: 3612000 133.36 -133.216 -76.056 -133.216 350.992 -26.7211 -76.0564 -26.7211 -96.7819 GPRESSURE: 3612000 151.533 -130.456 -80.2367 -17.863 396.558 -43.005 -184.032 -38.2181 -61.2916 PRESSAVG: 3612000 0.0206948 15.9707 -12.7331 15.9707 -9.61791 37.9506 -12.7331 37.9505 -34.7757 GPRESSAVG: 3612000 -1.54821 16.9796 -10.9177 16.3472 -9.17316 37.915 -12.9712 38.5655 -33.465 TIMING: 3612000 CPU: 11564.3, 0.00404805/step Wall: 11564.3, 0.00404805/step, 1.56075 hours remaining, 233.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3612000 3967.0184 20432.0254 14476.3212 255.8773 -203919.6998 2740.7886 0.0000 0.0000 51770.3134 -110277.3555 297.5247 -162047.6689 -109916.3536 298.1003 129.1901 162.2665 759301.3687 -14.7910 -14.7288 PRESSURE: 3612200 -27.0627 -17.703 30.3458 -17.7032 60.4886 3.75258 30.3455 3.75266 28.3677 GPRESSURE: 3612200 63.1255 10.3146 75.611 -154.264 27.1098 8.47424 -96.526 -18.7701 32.5653 PRESSAVG: 3612200 -8.7547 -27.9628 -37.2343 -27.9628 1.87659 21.8792 -37.2344 21.8791 8.1123 GPRESSAVG: 3612200 -7.3758 -28.0301 -38.6413 -28.0279 1.14544 22.3096 -35.7666 20.4455 7.65858 TIMING: 3612200 CPU: 11565.1, 0.00401679/step Wall: 11565.1, 0.00401679/step, 1.54847 hours remaining, 233.128906 MB of memory in use. ENERGY: 3612200 3933.1803 20531.1232 14463.7788 234.2452 -203902.3699 2684.7713 0.0000 0.0000 51904.9935 -110150.2776 298.2987 -162055.2711 -109794.4133 297.8990 20.5978 40.9335 760122.4786 0.4114 0.4761 LDB: ============= START OF LOAD BALANCING ============== 11577.7 LDB: ============== END OF LOAD BALANCING =============== 11577.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11577.7 LDB: ============= START OF LOAD BALANCING ============== 11578.1 LDB: Largest compute 7033 load 0.031857 is 16.5% of average load 0.193245 LDB: Average compute 0.004482 is 2.3% of average load 0.193245 LDB: TIME 11578.1 LOAD: AVG 0.193245 MAX 0.213871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 11578.1 LOAD: AVG 0.193245 MAX 0.213871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: TIME 11578.1 LOAD: AVG 0.193245 MAX 0.213871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.77 MB LDB: ============== END OF LOAD BALANCING =============== 11578.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11578.1 PRESSURE: 3612400 -213.067 -27.9134 96.9854 -27.9131 -67.0076 -149.749 96.9851 -149.748 155.377 GPRESSURE: 3612400 -121.662 -116.377 -16.3595 2.75808 -90.1971 -120.94 131.614 -212.161 179.193 PRESSAVG: 3612400 21.5163 -34.5021 10.6232 -34.5022 12.8442 -3.40732 10.6232 -3.4074 9.77337 GPRESSAVG: 3612400 21.9438 -36.062 8.64714 -33.2231 12.5409 -2.14158 8.39248 -4.50058 9.82187 TIMING: 3612400 CPU: 11566, 0.00411244/step Wall: 11566, 0.00411244/step, 1.58512 hours remaining, 235.175781 MB of memory in use. ENERGY: 3612400 4058.2529 20464.1696 14473.7001 237.6215 -203640.3871 2632.6234 0.0000 0.0000 51430.2442 -110343.7755 295.5703 -161774.0196 -109987.4257 297.8498 -41.5659 -10.8886 761367.8618 14.7113 14.7689 PRESSURE: 3612600 -79.3053 -45.3102 23.1439 -45.3107 117.676 -133.593 23.143 -133.593 -98.2941 GPRESSURE: 3612600 5.15468 -34.559 113.18 -143.519 83.56 -120.115 99.6411 -233.739 -68.5842 PRESSAVG: 3612600 24.2548 13.6468 29.463 13.6469 -21.3096 -23.1327 29.463 -23.1327 3.53147 GPRESSAVG: 3612600 22.7529 14.8352 29.156 12.2744 -20.2423 -23.4048 32.1825 -20.6474 3.68255 TIMING: 3612600 CPU: 11566.8, 0.00403869/step Wall: 11566.8, 0.00403869/step, 1.55647 hours remaining, 235.175781 MB of memory in use. ENERGY: 3612600 4030.6955 20557.5611 14443.2023 237.4244 -203757.9014 2686.6300 0.0000 0.0000 51669.7997 -110132.5884 296.9470 -161802.3881 -109765.4176 297.6106 -19.9746 6.7102 761439.4013 2.1589 2.0644 PRESSURE: 3612800 -51.7661 -191.476 114.368 -191.475 -466.351 -189.989 114.367 -189.989 412.13 GPRESSURE: 3612800 -70.7883 -163.027 126.646 -89.4805 -378.571 -107.338 73.1024 -171.286 415.995 PRESSAVG: 3612800 -33.0004 -37.7574 -18.6803 -37.7574 -2.35374 7.35112 -18.6804 7.35111 -2.79147 GPRESSAVG: 3612800 -33.0334 -39.0143 -14.2301 -37.1233 -2.51064 6.94047 -20.1162 6.6248 -3.11463 TIMING: 3612800 CPU: 11567.6, 0.0040359/step Wall: 11567.6, 0.0040359/step, 1.55517 hours remaining, 235.175781 MB of memory in use. ENERGY: 3612800 4022.5716 20415.3598 14382.0493 241.3365 -203999.1023 2521.9890 0.0000 0.0000 52316.7835 -110099.0126 300.6653 -162415.7961 -109731.7936 298.1894 -35.3291 -11.1213 758785.4822 -12.7152 -12.8862 PRESSURE: 3613000 195.855 212.926 -123.137 212.925 -21.1057 -120.771 -123.136 -120.772 271.276 GPRESSURE: 3613000 323.735 249.219 -42.8971 216.849 -28.7043 -162.503 -224.443 -71.654 254.277 PRESSAVG: 3613000 41.6494 9.14412 25.1685 9.14418 -22.8779 -8.65914 25.1684 -8.65911 23.995 GPRESSAVG: 3613000 43.1707 10.4369 22.4235 8.7768 -24.2088 -7.2551 23.9877 -9.04165 24.1928 TIMING: 3613000 CPU: 11568.4, 0.00404155/step Wall: 11568.4, 0.00404155/step, 1.55712 hours remaining, 235.433594 MB of memory in use. ENERGY: 3613000 3962.1522 20553.0801 14453.9997 266.2762 -203668.6681 2753.3938 0.0000 0.0000 51789.5470 -109890.2190 297.6352 -161679.7660 -109542.3018 298.6342 148.6752 183.1024 759199.9148 14.2555 14.3849 PRESSURE: 3613200 -76.2559 -90.1275 56.8171 -90.1282 -295.072 302.648 56.8169 302.649 122.884 GPRESSURE: 3613200 -72.9783 -6.96842 44.4997 -27.3768 -212.798 390.971 185.471 136.537 128.88 PRESSAVG: 3613200 71.0278 22.1618 24.7362 22.1618 -20.6367 -25.3172 24.7362 -25.3172 7.31233 GPRESSAVG: 3613200 69.2862 22.6499 25.8556 21.4068 -19.0201 -26.0178 24.1398 -24.2889 7.50681 TIMING: 3613200 CPU: 11569.2, 0.00400368/step Wall: 11569.2, 0.00400368/step, 1.5423 hours remaining, 235.433594 MB of memory in use. ENERGY: 3613200 4050.5398 20551.0896 14478.2318 245.3769 -203746.6476 2601.7416 0.0000 0.0000 51905.8722 -109913.7957 298.3038 -161819.6680 -109552.4802 298.6774 -82.8148 -52.2987 759609.0163 19.2345 19.2576 PRESSURE: 3613400 -47.9655 -44.4767 208.835 -44.4764 107.697 -193.073 208.835 -193.071 -163.552 GPRESSURE: 3613400 10.4666 -44.4634 202.69 -95.5348 164.334 -166.564 147.933 -177.409 -178.626 PRESSAVG: 3613400 -26.5333 -62.7139 58.3762 -62.714 49.5734 20.8326 58.3762 20.8326 -2.27344 GPRESSAVG: 3613400 -24.8281 -62.8827 56.3728 -62.9725 47.8433 20.5628 60.1693 20.813 -1.68292 TIMING: 3613400 CPU: 11570, 0.00400661/step Wall: 11570, 0.00400661/step, 1.54321 hours remaining, 235.433594 MB of memory in use. ENERGY: 3613400 3990.9005 20571.6350 14441.1412 258.0227 -203531.1507 2598.8423 0.0000 0.0000 51911.6859 -109758.9231 298.3372 -161670.6090 -109399.2901 298.6348 -34.6068 -1.2752 761048.4779 6.9222 7.1108 PRESSURE: 3613600 -249.35 -68.7718 42.5161 -68.7722 -459.123 118.723 42.5157 118.722 -23.9359 GPRESSURE: 3613600 -209.231 -76.5483 -23.5368 14.6629 -468.381 158.491 1.08907 39.2882 24.8779 PRESSAVG: 3613600 75.019 -30.6208 28.7581 -30.6207 -34.8448 -30.1508 28.7582 -30.1508 24.0885 GPRESSAVG: 3613600 74.1411 -32.7787 30.8056 -28.9286 -32.689 -30.0068 27.4764 -32.7766 22.901 TIMING: 3613600 CPU: 11570.8, 0.00404022/step Wall: 11570.8, 0.00404022/step, 1.55593 hours remaining, 235.433594 MB of memory in use. ENERGY: 3613600 3916.1015 20676.2963 14533.9503 249.4094 -203129.1895 2198.5434 0.0000 0.0000 51932.6852 -109622.2035 298.4579 -161554.8886 -109258.1588 298.4802 -244.1363 -217.5780 760452.9882 21.4209 21.4510 PRESSURE: 3613800 -106.629 -27.3376 -158.074 -27.3376 49.8377 -136.535 -158.074 -136.535 178.417 GPRESSURE: 3613800 -104.218 -115.078 -180.612 -44.0527 179.366 -174.988 -96.7837 -59.3145 137.543 PRESSAVG: 3613800 15.8243 -47.5185 -4.05293 -47.5185 -66.5127 24.744 -4.05295 24.7441 -30.6647 GPRESSAVG: 3613800 16.8273 -46.5921 -3.20071 -47.9382 -67.3339 23.6597 -3.79109 27.4602 -30.136 TIMING: 3613800 CPU: 11571.6, 0.00400513/step Wall: 11571.6, 0.00400513/step, 1.5422 hours remaining, 235.433594 MB of memory in use. ENERGY: 3613800 3954.9658 20512.5272 14499.8796 243.8825 -203611.9303 2683.3292 0.0000 0.0000 51989.9319 -109727.4140 298.7869 -161717.3459 -109361.3723 299.1024 40.5420 70.8972 761188.7857 -27.1177 -26.8809 PRESSURE: 3614000 267.184 106.347 -127.296 106.347 -33.4648 -28.3607 -127.296 -28.3599 -26.1173 GPRESSURE: 3614000 296.744 5.02746 -209.998 8.28733 -18.7511 -44.8271 -66.6233 -37.1743 14.3632 PRESSAVG: 3614000 1.01037 -39.8281 -36.7272 -39.8281 -14.3505 28.0278 -36.7272 28.0278 -14.6306 GPRESSAVG: 3614000 0.633554 -40.2715 -37.6653 -42.4092 -13.6568 27.671 -37.2254 26.658 -14.9153 TIMING: 3614000 CPU: 11572.4, 0.00397448/step Wall: 11572.4, 0.00397448/step, 1.53018 hours remaining, 235.433594 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: 3614000 3975.4296 20445.1963 14437.9281 238.0114 -203273.2899 2501.0632 0.0000 0.0000 51981.1632 -109694.4980 298.7365 -161675.6612 -109327.7794 299.0983 69.2006 97.4519 761689.6628 -9.3236 -9.3129 PRESSURE: 3614200 -83.7431 144.964 -117.975 144.965 -4.78265 14.082 -117.974 14.0825 210.924 GPRESSURE: 3614200 -38.7942 157.225 -102.874 96.3877 80.5999 37.7649 -178.113 67.1122 174.955 PRESSAVG: 3614200 25.2801 -15.4869 -34.049 -15.487 -12.9234 21.8628 -34.049 21.8628 13.1782 GPRESSAVG: 3614200 25.272 -15.103 -34.9149 -13.6147 -12.2512 23.4333 -32.8174 21.3331 12.862 TIMING: 3614200 CPU: 11573.2, 0.00400824/step Wall: 11573.2, 0.00400824/step, 1.54295 hours remaining, 235.433594 MB of memory in use. ENERGY: 3614200 3940.2974 20420.1958 14477.6115 265.7356 -203533.8707 2645.6660 0.0000 0.0000 51879.4453 -109904.9191 298.1519 -161784.3644 -109530.6747 298.4849 40.7995 72.2537 759682.5635 8.5116 8.6276 PRESSURE: 3614400 -379.192 -21.2205 38.3548 -21.2202 -57.6674 -144.227 38.3549 -144.227 100.505 GPRESSURE: 3614400 -343.465 -20.1308 -111.624 -0.629005 -41.3325 -51.2719 -27.8521 -161.77 112.176 PRESSAVG: 3614400 -2.52742 -73.7286 -52.7861 -73.7286 36.0202 7.39927 -52.7862 7.39922 -12.8468 GPRESSAVG: 3614400 -2.1971 -73.1466 -51.2086 -74.0055 34.728 8.21363 -52.532 7.49544 -12.0443 TIMING: 3614400 CPU: 11574, 0.00404357/step Wall: 11574, 0.00404357/step, 1.55633 hours remaining, 235.433594 MB of memory in use. ENERGY: 3614400 4069.4658 20674.0041 14487.5945 256.1398 -203819.8996 2550.4200 0.0000 0.0000 52092.9558 -109689.3194 299.3789 -161782.2753 -109325.0872 298.8394 -112.1182 -90.8738 760587.2240 6.8820 6.8289 PRESSURE: 3614600 -173.601 -190.171 8.16543 -190.171 -123.051 -56.5066 8.16536 -56.507 -46.4483 GPRESSURE: 3614600 -153.987 -135.371 -59.344 -75.4821 -95.9091 -106.067 24.0071 -90.3961 17.5216 PRESSAVG: 3614600 21.3521 -25.865 -66.1251 -25.8651 5.41482 3.25338 -66.1251 3.25335 -8.94248 GPRESSAVG: 3614600 21.58 -25.4303 -67.5294 -27.0731 4.89707 2.35179 -66.5254 1.7082 -8.01833 TIMING: 3614600 CPU: 11574.8, 0.00404094/step Wall: 11574.8, 0.00404094/step, 1.55509 hours remaining, 235.433594 MB of memory in use. ENERGY: 3614600 3998.2964 20480.0479 14484.5274 238.7302 -203354.8962 2332.9990 0.0000 0.0000 52018.7808 -109801.5145 298.9526 -161820.2953 -109436.6957 299.0829 -114.3669 -77.4581 760758.9880 5.9415 6.1529 PRESSURE: 3614800 -175.525 -84.6939 -105.157 -84.6943 -290.066 39.9287 -105.157 39.9268 -60.7461 GPRESSURE: 3614800 -23.4236 -39.5676 -36.436 -207.295 -379.471 47.4558 -143.21 94.7429 -18.3388 PRESSAVG: 3614800 48.9755 -23.6354 -17.3194 -23.6354 -35.2228 -69.3145 -17.3194 -69.3145 2.9373 GPRESSAVG: 3614800 49.5153 -25.4475 -16.4744 -20.9167 -35.5819 -70.435 -18.3666 -67.307 2.74612 TIMING: 3614800 CPU: 11575.6, 0.00405699/step Wall: 11575.6, 0.00405699/step, 1.56104 hours remaining, 235.433594 MB of memory in use. ENERGY: 3614800 4009.8874 20532.2674 14541.2528 231.4208 -203763.3702 2554.8178 0.0000 0.0000 52099.5110 -109794.2131 299.4166 -161893.7240 -109425.1064 298.7214 -175.4457 -140.4110 760418.1089 5.5633 5.5598 PRESSURE: 3615000 20.1639 -146.376 -107.115 -146.377 -2.22608 -1.50645 -107.115 -1.50683 -595.199 GPRESSURE: 3615000 78.2553 -105.315 -79.1187 -99.3767 -15.4303 8.61014 -31.8892 1.64311 -571.586 PRESSAVG: 3615000 62.7834 -24.3895 -16.8419 -24.3896 -32.05 -33.6363 -16.8418 -33.6363 11.5587 GPRESSAVG: 3615000 62.9869 -24.7042 -17.7319 -23.883 -31.9697 -33.3131 -15.4186 -33.6681 10.9276 TIMING: 3615000 CPU: 11576.4, 0.00404586/step Wall: 11576.4, 0.00404586/step, 1.55653 hours remaining, 235.433594 MB of memory in use. ENERGY: 3615000 4072.1934 20476.6279 14600.1951 254.8232 -203414.3614 2498.1722 0.0000 0.0000 51961.5063 -109550.8433 298.6235 -161512.3496 -109191.9927 299.3149 -192.4203 -169.5871 760287.8923 14.0974 13.9816 PRESSURE: 3615200 -200.46 92.3292 31.6564 92.3295 -52.9416 113.168 31.6562 113.167 216.625 GPRESSURE: 3615200 -91.8785 47.1194 -45.6543 80.4958 -13.4097 74.651 144.266 -14.7807 147.9 PRESSAVG: 3615200 -5.43833 -72.3214 -106.224 -72.3214 24.5826 -23.7899 -106.224 -23.7899 21.3395 GPRESSAVG: 3615200 -5.45132 -70.8196 -106.563 -73.6968 25.4658 -23.409 -106.519 -26.1295 20.5686 TIMING: 3615200 CPU: 11577.2, 0.00403438/step Wall: 11577.2, 0.00403438/step, 1.55189 hours remaining, 235.433594 MB of memory in use. ENERGY: 3615200 4009.8027 20307.9982 14463.8290 266.1445 -203700.6952 2669.9236 0.0000 0.0000 52488.8005 -109494.1969 301.6539 -161982.9974 -109120.1446 298.9688 -12.2591 14.2040 760232.0849 13.4946 13.5277 PRESSURE: 3615400 293.318 33.2649 -19.9153 33.2652 86.4161 -179.634 -19.9157 -179.634 -197.694 GPRESSURE: 3615400 283.259 38.512 50.7549 -59.2512 212.217 -98.7416 21.1694 -43.9876 -229.015 PRESSAVG: 3615400 -6.39767 -0.237601 17.6342 -0.237677 17.5023 25.0719 17.6342 25.0719 6.71757 GPRESSAVG: 3615400 -7.61133 -0.629581 19.2658 -2.02572 16.9596 25.3651 16.7025 24.3232 7.9096 TIMING: 3615400 CPU: 11578, 0.0040086/step Wall: 11578, 0.0040086/step, 1.54175 hours remaining, 235.433594 MB of memory in use. ENERGY: 3615400 4048.9190 20576.7320 14402.5220 241.7431 -203353.2392 2596.7350 0.0000 0.0000 52146.0815 -109340.5065 299.6842 -161486.5880 -108976.7986 299.6075 60.6803 88.8204 760907.6558 5.9407 5.7526 PRESSURE: 3615600 154.334 -49.3535 -31.9289 -49.3551 -94.2586 -125.275 -31.9298 -125.276 -387.824 GPRESSURE: 3615600 106.576 -7.03824 -25.6613 -15.8916 -20.0438 -152.673 -137.936 -177.592 -337.602 PRESSAVG: 3615600 46.974 0.25175 -16.4907 0.251699 -50.1275 -25.4185 -16.4907 -25.4184 11.8332 GPRESSAVG: 3615600 46.8554 -0.964815 -16.6985 1.45165 -49.289 -25.8541 -16.0464 -22.5311 11.8507 TIMING: 3615600 CPU: 11578.8, 0.00401329/step Wall: 11578.8, 0.00401329/step, 1.54333 hours remaining, 235.433594 MB of memory in use. ENERGY: 3615600 4046.4647 20541.4525 14497.5113 278.8559 -203179.4726 2497.9002 0.0000 0.0000 52200.6565 -109116.6315 299.9979 -161317.2881 -108760.0640 299.4835 -109.2495 -83.6898 760544.3173 2.8932 3.1390 PRESSURE: 3615800 185.771 -77.7373 -72.0384 -77.7369 -4.09142 73.4469 -72.0388 73.4464 70.8222 GPRESSURE: 3615800 221.242 53.5862 -87.8942 111.567 -34.2845 -35.9749 -64.1872 -28.1345 152.877 PRESSAVG: 3615800 39.5914 -23.3461 2.37679 -23.346 -46.9428 74.3836 2.37681 74.3835 12.0982 GPRESSAVG: 3615800 40.6093 -22.4619 2.89832 -23.6285 -47.1477 73.1819 2.28648 73.8775 11.2776 TIMING: 3615800 CPU: 11579.7, 0.00400937/step Wall: 11579.7, 0.00400937/step, 1.5416 hours remaining, 235.433594 MB of memory in use. ENERGY: 3615800 4001.9091 20512.5189 14520.7098 259.5240 -203178.3680 2630.5133 0.0000 0.0000 52274.6768 -108978.5161 300.4233 -161253.1929 -108602.2183 300.0218 84.1673 113.2781 761635.9675 1.5823 1.5797 PRESSURE: 3616000 356.756 24.9477 -33.925 24.9481 106.425 -116.585 -33.9245 -116.586 835.663 GPRESSURE: 3616000 433.562 1.17517 -25.1222 107.838 228.767 -149.351 41.0198 -156.776 746.111 PRESSAVG: 3616000 -18.6522 -50.6276 -6.56471 -50.6276 66.1873 3.60307 -6.56465 3.60297 -3.54515 GPRESSAVG: 3616000 -18.2902 -50.9531 -7.03605 -49.6918 65.4959 3.64053 -5.64035 4.2212 -2.86577 TIMING: 3616000 CPU: 11580.5, 0.00405131/step Wall: 11580.5, 0.00405131/step, 1.5575 hours remaining, 235.433594 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: 3616000 3904.5265 20470.8429 14482.7248 240.6316 -203496.4305 2842.0120 0.0000 0.0000 52253.2442 -109302.4486 300.3001 -161555.6928 -108932.1531 300.2725 432.9480 469.4801 760005.8369 14.6633 14.7800 PRESSURE: 3616200 -20.2089 -258.824 12.1055 -258.824 -30.2923 -215.595 12.1056 -215.594 -81.4406 GPRESSURE: 3616200 -13.2653 -229.546 32.8678 -251.059 2.97218 -159.341 -80.6685 -235.982 -47.0609 PRESSAVG: 3616200 21.4326 -50.9737 -20.9615 -50.9738 -10.6125 26.2791 -20.9615 26.279 17.9974 GPRESSAVG: 3616200 21.0382 -49.0526 -20.3521 -52.4691 -9.75913 26.5022 -23.7916 25.4068 17.778 TIMING: 3616200 CPU: 11581.3, 0.00401563/step Wall: 11581.3, 0.00401563/step, 1.54356 hours remaining, 235.433594 MB of memory in use. ENERGY: 3616200 3951.6733 20588.2378 14470.9502 245.8500 -203291.6649 2614.4143 0.0000 0.0000 52090.5395 -109329.9998 299.3650 -161420.5392 -108970.7925 299.7332 -43.9806 -19.1180 761385.4538 9.6059 9.6857 LDB: ============= START OF LOAD BALANCING ============== 11593.8 LDB: ============== END OF LOAD BALANCING =============== 11593.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11593.8 LDB: ============= START OF LOAD BALANCING ============== 11594.2 LDB: Largest compute 7075 load 0.033371 is 17.3% of average load 0.193226 LDB: Average compute 0.004456 is 2.3% of average load 0.193226 LDB: TIME 11594.2 LOAD: AVG 0.193226 MAX 0.21253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.855 MB LDB: TIME 11594.2 LOAD: AVG 0.193226 MAX 0.21253 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.059 MB LDB: TIME 11594.2 LOAD: AVG 0.193226 MAX 0.21253 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.059 MB LDB: ============== END OF LOAD BALANCING =============== 11594.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11594.2 PRESSURE: 3616400 -15.1506 -229.552 206.201 -229.551 47.5279 -146.995 206.201 -146.996 316.942 GPRESSURE: 3616400 73.7408 -236.638 124.356 -195.728 52.3664 -208.651 104.046 -40.6362 300.596 PRESSAVG: 3616400 -17.429 -34.7243 -11.1137 -34.7243 18.707 28.0411 -11.1138 28.041 -13.4641 GPRESSAVG: 3616400 -18.1957 -35.5082 -12.3927 -35.0265 18.7161 29.3269 -9.76072 27.8789 -12.5275 TIMING: 3616400 CPU: 11582.1, 0.00409866/step Wall: 11582.1, 0.00409866/step, 1.57525 hours remaining, 233.570312 MB of memory in use. ENERGY: 3616400 3961.7279 20749.1978 14550.0923 251.1387 -203696.3537 2766.4554 0.0000 0.0000 52102.3388 -109315.4028 299.4329 -161417.7416 -108953.5752 299.6467 116.4399 142.2343 759472.0435 -4.0620 -4.0024 PRESSURE: 3616600 -102.731 -57.5206 -8.96989 -57.5201 382.312 -173.494 -8.96807 -173.494 -35.4262 GPRESSURE: 3616600 8.9494 -54.5755 0.722698 -30.2299 360.493 -202.073 -45.3188 -216.214 -41.7173 PRESSAVG: 3616600 22.6933 -15.9478 3.53162 -15.9477 -25.7057 16.9099 3.53159 16.9099 29.3655 GPRESSAVG: 3616600 24.6519 -16.3565 5.33803 -16.742 -27.3093 16.4678 2.8091 17.4593 28.8971 TIMING: 3616600 CPU: 11582.9, 0.00403653/step Wall: 11582.9, 0.00403653/step, 1.55115 hours remaining, 233.570312 MB of memory in use. ENERGY: 3616600 3990.4187 20642.1836 14549.3476 237.2635 -203140.7156 2466.0283 0.0000 0.0000 52048.5215 -109206.9524 299.1236 -161255.4739 -108833.9346 299.7407 81.3851 109.2416 760871.9641 8.7843 8.7466 PRESSURE: 3616800 -179.233 160.111 -198.264 160.112 43.1188 185.577 -198.264 185.577 -250.29 GPRESSURE: 3616800 -167.102 134.133 -167.455 92.7711 112.819 121.368 -86.2624 313.1 -263.379 PRESSAVG: 3616800 -26.571 7.23353 -21.2101 7.23355 20.0856 10.539 -21.2101 10.539 9.10061 GPRESSAVG: 3616800 -26.8393 7.5457 -22.4123 8.11386 20.6899 9.7433 -18.6047 11.2549 8.15695 TIMING: 3616800 CPU: 11583.7, 0.00401418/step Wall: 11583.7, 0.00401418/step, 1.54234 hours remaining, 233.570312 MB of memory in use. ENERGY: 3616800 4008.9328 20557.7993 14567.8952 250.7889 -203547.3730 2629.2541 0.0000 0.0000 52413.1559 -109119.5467 301.2191 -161532.7027 -108747.4007 300.0390 -128.8012 -105.8875 761476.5760 0.8717 0.6692 PRESSURE: 3617000 -85.2348 -83.4687 165.228 -83.4688 -131.03 232.602 165.229 232.602 94.2643 GPRESSURE: 3617000 -46.2512 -16.1933 174 -25.3318 -122.24 276.024 67.5096 88.2152 143.634 PRESSAVG: 3617000 21.5534 2.04874 34.0435 2.04875 -10.6064 22.2405 34.0434 22.2404 7.06706 GPRESSAVG: 3617000 20.7824 2.38469 34.8586 1.23049 -11.5149 21.9751 34.7459 21.4663 9.19531 TIMING: 3617000 CPU: 11584.5, 0.0040383/step Wall: 11584.5, 0.0040383/step, 1.55138 hours remaining, 233.570312 MB of memory in use. ENERGY: 3617000 4035.0970 20438.7268 14461.4157 269.5609 -203295.5007 2515.1560 0.0000 0.0000 52471.4003 -109104.1442 301.5539 -161575.5444 -108744.4175 300.3231 -40.6669 -8.2859 760893.0125 6.0047 6.1543 PRESSURE: 3617200 70.8658 -29.1669 226.484 -29.1674 -35.5973 -182.372 226.483 -182.372 -281.617 GPRESSURE: 3617200 131.722 -118.856 90.7555 -8.86319 -49.2411 -216.136 131.356 -55.4006 -235.584 PRESSAVG: 3617200 -2.52485 6.30155 40.5894 6.30164 8.41927 28.6584 40.5894 28.6583 -0.247016 GPRESSAVG: 3617200 -3.47132 4.5474 39.2437 7.80563 8.89028 27.724 39.8654 29.1683 -0.183691 TIMING: 3617200 CPU: 11585.3, 0.00403338/step Wall: 11585.3, 0.00403338/step, 1.54927 hours remaining, 233.570312 MB of memory in use. ENERGY: 3617200 4086.9250 20657.6772 14521.1300 243.5040 -203605.7940 2857.3690 0.0000 0.0000 52239.9528 -108999.2361 300.2237 -161239.1889 -108646.1437 300.8656 -82.1161 -51.0344 759529.0188 1.8825 1.7451 PRESSURE: 3617400 93.2262 -100.295 29.8904 -100.295 484.789 149.858 29.8917 149.858 579.002 GPRESSURE: 3617400 127.698 -135.908 -13.5756 -63.8259 521.456 58.2736 11.0697 204.344 600.081 PRESSAVG: 3617400 -26.1718 -35.2553 63.8625 -35.2553 8.14714 12.2552 63.8624 12.2553 19.1232 GPRESSAVG: 3617400 -24.809 -31.951 64.2339 -38.734 7.96337 12.8593 62.1535 11.0632 17.8616 TIMING: 3617400 CPU: 11586.1, 0.00405176/step Wall: 11586.1, 0.00405176/step, 1.5561 hours remaining, 233.570312 MB of memory in use. ENERGY: 3617400 3990.7069 20383.5123 14539.7984 239.7911 -203268.6754 2655.3420 0.0000 0.0000 52220.4779 -109239.0468 300.1118 -161459.5247 -108866.8387 299.8635 385.6726 416.4117 759749.7143 0.3662 0.3386 PRESSURE: 3617600 -135.908 -113.376 -326.208 -113.375 61.8279 75.7959 -326.208 75.796 -54.4558 GPRESSURE: 3617600 -70.2211 -80.2008 -316.429 -116.185 74.8497 52.927 -297.406 66.0239 -18.9603 PRESSAVG: 3617600 16.0373 2.08079 -17.7635 2.08074 -18.0129 24.2821 -17.7634 24.2821 11.9046 GPRESSAVG: 3617600 15.9927 -1.51798 -17.8281 4.82718 -17.4556 24.2054 -16.5545 26.3862 11.1095 TIMING: 3617600 CPU: 11586.9, 0.00403729/step Wall: 11586.9, 0.00403729/step, 1.55032 hours remaining, 233.570312 MB of memory in use. ENERGY: 3617600 4015.6098 20616.7384 14438.4564 259.6012 -202951.1968 2281.1037 0.0000 0.0000 51959.4308 -109380.2565 298.6116 -161339.6873 -109019.2586 299.4050 -42.8453 -4.7772 760903.9435 3.3097 3.2155 PRESSURE: 3617800 -422.198 -68.7114 -216.073 -68.7119 119.658 -188.085 -216.073 -188.085 -153.82 GPRESSURE: 3617800 -266.39 -218.864 -209.437 -99.1351 89.0023 -205.734 -175.811 -104.473 -208.987 PRESSAVG: 3617800 4.29621 -39.7087 -34.015 -39.7087 -3.06181 7.68122 -34.015 7.68106 -17.852 GPRESSAVG: 3617800 5.10601 -39.2494 -34.4216 -40.0023 -5.37316 8.8756 -34.6581 6.43758 -16.1462 TIMING: 3617800 CPU: 11587.7, 0.00405349/step Wall: 11587.7, 0.00405349/step, 1.55631 hours remaining, 233.570312 MB of memory in use. ENERGY: 3617800 4062.7127 20517.4233 14539.2453 265.5342 -203473.4585 2539.7596 0.0000 0.0000 52039.6228 -109509.1607 299.0724 -161548.7835 -109146.5366 299.3900 -152.1199 -128.7914 760967.6537 -5.5392 -5.4711 PRESSURE: 3618000 282.571 37.1991 113.393 37.1996 -243.042 111.736 113.392 111.737 428.41 GPRESSURE: 3618000 255.181 133.087 95.1669 27.6847 -86.2893 55.7566 52.1868 45.2804 391.445 PRESSAVG: 3618000 8.63786 -66.8138 -1.27535 -66.8138 -10.5004 40.2578 -1.27534 40.2578 22.4935 GPRESSAVG: 3618000 8.00338 -65.4949 -0.940489 -66.6669 -9.41449 39.0036 -0.583444 40.2774 21.6861 TIMING: 3618000 CPU: 11588.5, 0.00404983/step Wall: 11588.5, 0.00404983/step, 1.55468 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3618000 4037.4988 20510.1208 14475.0933 252.4380 -203734.0822 2810.1641 0.0000 0.0000 52150.5414 -109498.2259 299.7099 -161648.7673 -109140.7097 298.9483 155.9800 186.7787 760285.0773 6.8770 6.7583 PRESSURE: 3618200 193.296 -118.337 125.502 -118.337 -422.623 -131.011 125.503 -131.011 -90.1715 GPRESSURE: 3618200 203.486 -31.0329 53.1977 15.3275 -353.736 -111.874 -55.7167 -52.79 -68.9322 PRESSAVG: 3618200 17.2857 -52.3249 -34.8408 -52.3248 1.84822 18.7456 -34.8408 18.7456 3.33436 GPRESSAVG: 3618200 16.5788 -53.9334 -34.6557 -53.555 1.88647 18.4835 -32.978 19.9989 3.71458 TIMING: 3618200 CPU: 11589.4, 0.00404913/step Wall: 11589.4, 0.00404913/step, 1.55419 hours remaining, 233.570312 MB of memory in use. ENERGY: 3618200 4002.3105 20508.4527 14547.8735 261.6566 -203856.3884 2830.5637 0.0000 0.0000 52217.3132 -109488.2181 300.0936 -161705.5314 -109123.0475 299.4337 -106.4996 -73.0607 762585.0890 7.4894 7.3933 PRESSURE: 3618400 -100.978 202.532 107.374 202.532 -157.837 -97.6075 107.375 -97.6089 496.524 GPRESSURE: 3618400 -77.4178 232.633 151.319 165.406 -70.0555 -106.364 37.6719 -141.063 490.694 PRESSAVG: 3618400 72.5555 -49.5311 10.9063 -49.5311 -51.5321 -39.5776 10.9064 -39.5777 26.3785 GPRESSAVG: 3618400 71.6276 -49.3963 11.282 -49.5256 -50.3988 -39.391 7.11221 -40.5661 25.8405 TIMING: 3618400 CPU: 11590.2, 0.00405074/step Wall: 11590.2, 0.00405074/step, 1.55458 hours remaining, 233.570312 MB of memory in use. ENERGY: 3618400 3977.0126 20256.0052 14558.5158 237.3580 -203502.6022 2676.5559 0.0000 0.0000 52313.6709 -109483.4837 300.6474 -161797.1546 -109118.9690 299.2705 79.2363 114.4069 761927.7557 15.8007 15.6898 PRESSURE: 3618600 88.2507 -106.557 -188.425 -106.557 -111.881 -213.28 -188.425 -213.279 -237.562 GPRESSURE: 3618600 91.0722 -132.969 -134.479 -94.5771 -56.7457 -177.708 -104.89 -241.188 -204.933 PRESSAVG: 3618600 6.055 9.49526 38.8698 9.49532 -2.0637 -29.3627 38.8698 -29.3627 -11.2064 GPRESSAVG: 3618600 8.01295 9.85603 40.1064 9.7761 -4.11495 -29.5011 40.8378 -29.0532 -10.9208 TIMING: 3618600 CPU: 11591, 0.00407849/step Wall: 11591, 0.00407849/step, 1.56501 hours remaining, 233.570312 MB of memory in use. ENERGY: 3618600 3975.3694 20501.1790 14590.4997 252.3726 -203163.8797 2376.3322 0.0000 0.0000 52109.2947 -109358.8321 299.4728 -161468.1267 -108989.0117 298.6665 -87.0641 -56.8688 762579.8356 -2.4050 -2.3409 PRESSURE: 3618800 151.23 -98.4758 -156.115 -98.4755 -67.2062 -90.7154 -156.115 -90.715 271.325 GPRESSURE: 3618800 244.762 63.6406 -113.93 -75.4147 -11.1815 29.8651 -120.31 -106.45 217.75 PRESSAVG: 3618800 36.704 -8.86305 -14.3695 -8.86302 -28.8083 -4.16475 -14.3695 -4.16478 9.20212 GPRESSAVG: 3618800 34.0904 -9.40523 -15.3155 -6.18295 -26.0066 -4.68124 -13.3129 -4.85909 9.77363 TIMING: 3618800 CPU: 11591.8, 0.00404786/step Wall: 11591.8, 0.00404786/step, 1.55303 hours remaining, 233.570312 MB of memory in use. ENERGY: 3618800 3962.0445 20515.1750 14489.0368 253.3086 -203581.7205 2766.3927 0.0000 0.0000 52371.9848 -109223.7780 300.9825 -161595.7628 -108849.6536 299.6919 118.4497 150.4437 760987.7054 5.6993 5.9525 PRESSURE: 3619000 60.8 -112.632 125.556 -112.633 -90.5909 -203.417 125.557 -203.417 163.259 GPRESSURE: 3619000 112.124 -158.183 132.233 -161.039 -94.3594 -198.047 152.194 -201.446 165.6 PRESSAVG: 3619000 63.8667 -48.9191 44.9033 -48.9191 -40.397 -9.46212 44.9033 -9.46214 19.3884 GPRESSAVG: 3619000 66.4428 -47.166 44.0131 -50.2948 -43.417 -10.3909 44.6352 -7.77735 19.3799 TIMING: 3619000 CPU: 11592.6, 0.00405565/step Wall: 11592.6, 0.00405565/step, 1.55579 hours remaining, 233.570312 MB of memory in use. ENERGY: 3619000 3964.9780 20581.3786 14490.4349 255.1041 -203401.4573 2437.5675 0.0000 0.0000 52071.0600 -109600.9340 299.2531 -161671.9940 -109236.0398 299.7933 44.4895 61.1216 760786.8678 14.2860 14.1353 PRESSURE: 3619200 161.353 141.85 -28.829 141.85 -317.744 133.326 -28.8289 133.326 -51.2984 GPRESSURE: 3619200 157.762 127.611 -56.2682 95.7511 -232.564 117.977 -26.327 46.7366 -45.0363 PRESSAVG: 3619200 23.2156 1.7347 -13.1961 1.73472 -46.3789 15.5613 -13.1961 15.5614 -17.6309 GPRESSAVG: 3619200 21.4244 0.222562 -13.6777 2.15796 -45.7782 17.7177 -13.5614 15.3703 -16.3167 TIMING: 3619200 CPU: 11593.4, 0.00403889/step Wall: 11593.4, 0.00403889/step, 1.54914 hours remaining, 233.570312 MB of memory in use. ENERGY: 3619200 3954.7407 20589.8408 14532.7815 247.3646 -203004.3847 2251.7242 0.0000 0.0000 51935.5574 -109492.3755 298.4744 -161427.9328 -109128.5085 298.8318 -69.2298 -39.9462 760277.6067 -13.5980 -13.5568 PRESSURE: 3619400 149.574 -181.267 148.597 -181.267 -309.252 3.65923 148.597 3.65868 191.575 GPRESSURE: 3619400 138.246 -134.427 259.599 -251.955 -212.273 15.684 95.3776 -13.8234 187.941 PRESSAVG: 3619400 34.2296 -53.283 19.9645 -53.283 -36.4756 -0.50243 19.9645 -0.502421 1.04953 GPRESSAVG: 3619400 34.0047 -50.4951 21.4403 -54.2031 -35.2384 -2.97293 18.9943 -2.56573 0.15406 TIMING: 3619400 CPU: 11594.2, 0.00405204/step Wall: 11594.2, 0.00405204/step, 1.55396 hours remaining, 233.570312 MB of memory in use. ENERGY: 3619400 3891.8362 20574.4650 14444.2555 253.0978 -203028.4974 2239.0849 0.0000 0.0000 52184.6533 -109441.1048 299.9059 -161625.7581 -109077.1861 299.2053 10.6325 37.9714 760443.2764 -0.3988 -0.3599 PRESSURE: 3619600 -39.0036 26.6216 107.548 26.621 -208.026 3.95838 107.548 3.95854 107.926 GPRESSURE: 3619600 -20.2339 -20.1715 31.0371 29.1679 -146.452 -10.5641 69.2254 -82.071 115.259 PRESSAVG: 3619600 10.9448 -33.3637 39.4306 -33.3637 -8.80081 23.5874 39.4307 23.5874 28.2814 GPRESSAVG: 3619600 12.4181 -34.929 37.4741 -34.7227 -10.6525 23.2023 37.9854 24.2723 28.7099 TIMING: 3619600 CPU: 11595, 0.00405997/step Wall: 11595, 0.00405997/step, 1.55677 hours remaining, 233.570312 MB of memory in use. ENERGY: 3619600 3952.2317 20619.0405 14503.8058 257.4580 -203394.1016 2360.9932 0.0000 0.0000 52228.6475 -109471.9250 300.1588 -161700.5725 -109109.2801 299.6547 -46.3678 -17.1423 759244.3876 10.1418 10.1585 PRESSURE: 3619800 -85.8158 21.7303 -155.165 21.7302 -5.49049 8.67268 -155.166 8.67331 -15.2737 GPRESSURE: 3619800 31.8562 -72.9452 -47.4514 23.6821 -60.06 7.87485 -142.202 -10.866 14.2633 PRESSAVG: 3619800 41.752 -25.5258 -49.4326 -25.5259 -18.8394 45.5183 -49.4327 45.5183 -11.9609 GPRESSAVG: 3619800 41.3795 -25.2662 -48.2169 -26.2029 -17.3645 47.9228 -46.2528 46.8234 -13.0521 TIMING: 3619800 CPU: 11595.8, 0.00406732/step Wall: 11595.8, 0.00406732/step, 1.55936 hours remaining, 233.570312 MB of memory in use. ENERGY: 3619800 3942.3422 20548.6719 14505.5949 252.8960 -203793.4425 2626.6528 0.0000 0.0000 52413.9933 -109503.2915 301.2239 -161917.2848 -109126.8195 299.3871 -35.5267 -4.6468 759265.4801 3.6506 3.6543 PRESSURE: 3620000 453.311 -17.8959 278.859 -17.8964 214.598 -130.44 278.86 -130.442 116.988 GPRESSURE: 3620000 494.74 -16.4871 248.877 -0.874999 177.89 -174.726 268.931 -159.887 177.293 PRESSAVG: 3620000 29.7803 -50.124 -57.226 -50.1241 -46.6151 -14.4011 -57.226 -14.401 15.068 GPRESSAVG: 3620000 29.3852 -51.5769 -58.5229 -48.8351 -46.6907 -15.8916 -58.42 -17.4075 15.6536 TIMING: 3620000 CPU: 11596.7, 0.00405919/step Wall: 11596.7, 0.00405919/step, 1.55602 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3620000 3949.5075 20588.0777 14486.8419 253.8212 -203730.6847 2918.7297 0.0000 0.0000 51952.5759 -109581.1308 298.5722 -161533.7067 -109227.3408 299.2810 261.6323 283.3078 759603.0192 -0.5889 -0.5506 PRESSURE: 3620200 -4.3291 47.1251 -81.6098 47.1252 -68.7786 179.96 -81.6109 179.961 288.636 GPRESSURE: 3620200 48.1683 4.8763 -145.207 46.3514 23.1456 152.264 -119.537 225.831 220.443 PRESSAVG: 3620200 38.0115 -45.0605 -6.23228 -45.0606 -47.2072 5.13363 -6.2323 5.13367 4.76386 GPRESSAVG: 3620200 37.4563 -46.2684 -6.28334 -44.4805 -47.4913 6.48345 -4.22403 5.21767 4.66999 TIMING: 3620200 CPU: 11597.5, 0.00404202/step Wall: 11597.5, 0.00404202/step, 1.54921 hours remaining, 233.570312 MB of memory in use. ENERGY: 3620200 3922.8881 20431.0458 14506.2197 231.7041 -203287.0352 2239.5524 0.0000 0.0000 52066.6341 -109888.9910 299.2277 -161955.6251 -109522.6739 299.0184 71.8426 97.2524 759737.4424 -1.4773 -1.7883 LDB: ============= START OF LOAD BALANCING ============== 11610 LDB: ============== END OF LOAD BALANCING =============== 11610 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11610 LDB: ============= START OF LOAD BALANCING ============== 11610.4 LDB: Largest compute 7075 load 0.031309 is 16.2% of average load 0.193325 LDB: Average compute 0.004441 is 2.3% of average load 0.193325 LDB: TIME 11610.4 LOAD: AVG 0.193325 MAX 0.213263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.402 MB LDB: TIME 11610.4 LOAD: AVG 0.193325 MAX 0.213263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: TIME 11610.4 LOAD: AVG 0.193325 MAX 0.213263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: ============== END OF LOAD BALANCING =============== 11610.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11610.4 PRESSURE: 3620400 -321.835 117.033 -32.0816 117.034 54.1854 -85.7241 -32.0812 -85.7243 55.1268 GPRESSURE: 3620400 -151.089 115.039 -22.0016 32.7283 42.8263 -123.203 -105.058 -177.724 -10.492 PRESSAVG: 3620400 6.7997 15.6383 -13.0613 15.6383 20.5272 -6.01857 -13.0613 -6.01859 -30.1965 GPRESSAVG: 3620400 8.80868 18.3692 -12.124 15.7688 19.6257 -6.59062 -15.1173 -1.74291 -31.1194 TIMING: 3620400 CPU: 11598.3, 0.00410376/step Wall: 11598.3, 0.00410376/step, 1.57265 hours remaining, 232.582031 MB of memory in use. ENERGY: 3620400 4088.9843 20536.6136 14538.7560 230.3038 -203796.0689 2730.2636 0.0000 0.0000 52063.7544 -109607.3932 299.2111 -161671.1476 -109246.3847 298.4287 -70.8409 -39.5848 760726.2410 -0.9565 -0.8950 PRESSURE: 3620600 264.729 -269.213 -12.747 -269.213 -230.123 165.4 -12.7476 165.4 -76.2451 GPRESSURE: 3620600 153.632 -173.558 -23.4052 -167.162 -57.2729 235.99 -101.938 206.393 -78.9948 PRESSAVG: 3620600 -46.3621 -35.9426 -7.16396 -35.9426 56.9665 19.8046 -7.164 19.8046 -16.1541 GPRESSAVG: 3620600 -49.1872 -34.5515 -6.41346 -35.4828 58.5609 20.2681 -6.28036 16.1876 -15.4561 TIMING: 3620600 CPU: 11599.1, 0.00400439/step Wall: 11599.1, 0.00400439/step, 1.53435 hours remaining, 232.839844 MB of memory in use. ENERGY: 3620600 3954.6777 20694.2714 14516.7116 234.5454 -203389.2419 2489.6982 0.0000 0.0000 52077.8362 -109421.5014 299.2920 -161499.3376 -109066.9232 299.2402 -13.8796 5.7882 760177.4911 -1.8499 -2.0275 PRESSURE: 3620800 116.086 -39.1057 -35.3602 -39.1056 64.7121 90.3249 -35.3605 90.324 -260.938 GPRESSURE: 3620800 214.029 -35.032 -33.8976 -17.7975 107.241 69.09 83.8444 65.0819 -310.716 PRESSAVG: 3620800 35.8156 -13.3562 -12.645 -13.3562 10.5736 66.4888 -12.645 66.4889 -3.60233 GPRESSAVG: 3620800 38.562 -15.9047 -14.6243 -13.7995 8.12789 65.5671 -12.9189 70.0956 -4.08593 TIMING: 3620800 CPU: 11599.9, 0.00402533/step Wall: 11599.9, 0.00402533/step, 1.54215 hours remaining, 232.839844 MB of memory in use. ENERGY: 3620800 3968.8324 20525.6770 14529.0128 223.7979 -203229.5261 2518.1782 0.0000 0.0000 51843.1866 -109620.8413 297.9435 -161464.0279 -109263.8436 298.9622 -26.7133 3.5181 760157.5130 14.2623 14.2013 PRESSURE: 3621000 -29.2529 3.12791 -176.591 3.12712 -283.409 6.08164 -176.591 6.0811 137.021 GPRESSURE: 3621000 -5.88234 78.6934 -149.769 36.4592 -174.326 -78.7024 -237.949 2.59991 108.094 PRESSAVG: 3621000 29.3467 -33.7083 -25.2597 -33.7083 3.71069 -7.44138 -25.2596 -7.44135 -10.137 GPRESSAVG: 3621000 27.5694 -33.4448 -23.177 -33.8388 5.76056 -5.62215 -26.771 -11.0954 -10.4566 TIMING: 3621000 CPU: 11600.7, 0.00402511/step Wall: 11600.7, 0.00402511/step, 1.54184 hours remaining, 232.839844 MB of memory in use. ENERGY: 3621000 3990.4635 20644.0559 14556.7080 238.9785 -203345.5258 2622.7171 0.0000 0.0000 51884.5347 -109408.0681 298.1811 -161292.6028 -109064.7015 299.4090 -58.5469 -24.0379 759499.4809 7.6401 7.6245 PRESSURE: 3621200 98.8745 -66.8135 -181.571 -66.8136 126.188 349.95 -181.572 349.949 157.168 GPRESSURE: 3621200 120.466 8.83561 -198.181 -126.705 198.558 354.508 -238.086 387.864 147.265 PRESSAVG: 3621200 21.8568 -41.5887 31.0982 -41.5887 3.79537 23.3898 31.0982 23.3898 12.4105 GPRESSAVG: 3621200 21.5088 -41.7647 30.0574 -40.5308 2.91013 21.2712 32.4292 24.0078 13.1243 TIMING: 3621200 CPU: 11601.5, 0.00401803/step Wall: 11601.5, 0.00401803/step, 1.53891 hours remaining, 232.839844 MB of memory in use. ENERGY: 3621200 3943.6260 20545.4520 14534.9997 229.1338 -203677.7839 2637.5704 0.0000 0.0000 52139.8620 -109647.1400 299.6485 -161787.0020 -109298.0373 299.3189 127.4103 155.4296 759208.5370 12.6875 12.5144 PRESSURE: 3621400 -356.474 -45.4372 89.7393 -45.4366 -171.404 195.428 89.7395 195.426 -373.291 GPRESSURE: 3621400 -267.865 -48.5053 102.502 11.2765 -210.068 62.2398 -19.7479 131.24 -342.979 PRESSAVG: 3621400 -16.3181 -15.8891 54.9338 -15.8891 33.4956 -3.86623 54.9338 -3.86617 -13.3597 GPRESSAVG: 3621400 -15.9432 -14.1682 55.2356 -17.2112 33.7458 -2.89539 54.3085 -2.20081 -14.2851 TIMING: 3621400 CPU: 11602.3, 0.00402766/step Wall: 11602.3, 0.00402766/step, 1.54237 hours remaining, 232.839844 MB of memory in use. ENERGY: 3621400 3913.8149 20463.1449 14570.2203 252.9575 -203021.6777 2118.9352 0.0000 0.0000 52131.5805 -109571.0245 299.6009 -161702.6050 -109201.7934 299.1139 -300.3898 -273.6376 761587.0671 1.2726 1.1725 PRESSURE: 3621600 -319.322 -1.3195 -66.2387 -1.31913 -168.025 -23.7925 -66.2396 -23.792 479.952 GPRESSURE: 3621600 -212.595 -116.647 8.90103 33.5049 -144.412 32.2826 -107.4 7.41827 446.434 PRESSAVG: 3621600 -14.9375 -41.7515 44.4701 -41.7515 -25.539 -21.2709 44.4701 -21.271 8.68985 GPRESSAVG: 3621600 -15.201 -41.6982 44.2411 -40.8552 -26.1155 -19.5312 43.8105 -21.087 9.78857 TIMING: 3621600 CPU: 11603.1, 0.00403231/step Wall: 11603.1, 0.00403231/step, 1.54393 hours remaining, 232.839844 MB of memory in use. ENERGY: 3621600 4015.6937 20507.4699 14552.1753 245.6914 -203080.7139 2044.3062 0.0000 0.0000 52078.8204 -109636.5571 299.2977 -161715.3775 -109274.9450 298.9153 -2.4653 29.8087 759824.1761 -10.5955 -10.5093 PRESSURE: 3621800 149.082 -112.161 80.0593 -112.16 61.8338 121.438 80.0589 121.439 -189.408 GPRESSURE: 3621800 145.8 -56.6994 124.106 -65.6853 68.3698 48.6802 186.109 76.0927 -110.939 PRESSAVG: 3621800 -18.4733 -12.7251 -29.9386 -12.7251 23.2026 20.0364 -29.9386 20.0364 12.5057 GPRESSAVG: 3621800 -18.8064 -13.9584 -29.8555 -13.7489 24.622 20.2717 -29.0702 18.6312 11.378 TIMING: 3621800 CPU: 11603.9, 0.00405058/step Wall: 11603.9, 0.00405058/step, 1.5507 hours remaining, 232.839844 MB of memory in use. ENERGY: 3621800 3950.7257 20626.8006 14426.7097 242.3787 -203097.4465 2212.1905 0.0000 0.0000 52126.6304 -109512.0109 299.5725 -161638.6413 -109136.8941 298.7836 7.1695 34.4103 759226.3586 5.7450 5.7312 PRESSURE: 3622000 52.5635 -90.8847 -78.253 -90.8849 57.1795 35.6415 -78.2531 35.6417 -41.9121 GPRESSURE: 3622000 88.0184 12.5966 20.9396 -129.255 131.588 84.3486 -75.3476 68.9679 -66.9255 PRESSAVG: 3622000 -72.2413 -31.4125 -9.42925 -31.4125 87.7786 36.2607 -9.42922 36.2607 -17.312 GPRESSAVG: 3622000 -70.7847 -30.9032 -10.0156 -33.0883 85.8615 35.6442 -9.80779 34.8714 -17.0534 TIMING: 3622000 CPU: 11604.7, 0.00405619/step Wall: 11604.7, 0.00405619/step, 1.55262 hours remaining, 232.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3622000 3951.4372 20444.4607 14467.0159 247.6595 -203432.7005 2605.3116 0.0000 0.0000 52087.0746 -109629.7409 299.3451 -161716.8155 -109263.1680 299.1310 22.6103 50.8937 760492.2730 -0.5915 -0.6589 PRESSURE: 3622200 2.20683 145.946 -99.1649 145.946 -129.71 -20.5 -99.1647 -20.4995 87.1388 GPRESSURE: 3622200 31.1674 35.8799 -127.879 104.441 -58.2485 -101.217 -138.714 -33.5704 80.9028 PRESSAVG: 3622200 -23.2539 -53.9547 -20.1637 -53.9546 -5.01384 6.23084 -20.1637 6.23085 14.6779 GPRESSAVG: 3622200 -22.9497 -52.8091 -20.6154 -54.0887 -4.77341 5.84237 -19.7374 8.63513 14.3034 TIMING: 3622200 CPU: 11605.6, 0.00407926/step Wall: 11605.6, 0.00407926/step, 1.56122 hours remaining, 232.839844 MB of memory in use. ENERGY: 3622200 3970.8703 20455.2971 14565.7516 241.5446 -203545.5247 2662.1723 0.0000 0.0000 52114.2774 -109535.6113 299.5015 -161649.8887 -109176.5293 298.8127 -13.4550 17.9405 760195.1722 -4.5300 -4.4732 PRESSURE: 3622400 84.5474 154.793 -101.106 154.794 -56.3266 -103.214 -101.107 -103.214 6.64521 GPRESSURE: 3622400 142.132 164.802 -85.4303 184.997 -40.7736 -116.723 19.2127 7.97292 -2.97043 PRESSAVG: 3622400 -0.288262 -45.556 -4.84386 -45.556 -0.0225302 -19.1429 -4.84387 -19.1429 2.04097 GPRESSAVG: 3622400 -0.737335 -45.0092 -4.41974 -45.0824 0.462134 -20.5217 -4.62127 -19.979 1.92742 TIMING: 3622400 CPU: 11606.4, 0.0040823/step Wall: 11606.4, 0.0040823/step, 1.56216 hours remaining, 232.839844 MB of memory in use. ENERGY: 3622400 3914.4433 20540.9722 14597.1102 252.5876 -203294.8072 2416.6877 0.0000 0.0000 51954.4223 -109618.5840 298.5828 -161573.0063 -109259.6400 298.5141 11.6220 32.7961 760470.6528 0.5767 0.5507 PRESSURE: 3622600 -25.4199 -88.1065 20.4677 -88.107 -127.377 184.678 20.4676 184.678 80.0586 GPRESSURE: 3622600 -56.1705 -60.4274 94.148 -98.4435 -95.5009 201.658 -26.9819 294.32 161.908 PRESSAVG: 3622600 -6.13384 -17.2314 14.9792 -17.2315 15.882 -57.2727 14.9792 -57.2727 6.3621 GPRESSAVG: 3622600 -6.75248 -18.354 15.0057 -16.6698 16.0706 -56.5563 13.5768 -56.6371 6.53796 TIMING: 3622600 CPU: 11607.2, 0.00406848/step Wall: 11607.2, 0.00406848/step, 1.55664 hours remaining, 233.058594 MB of memory in use. ENERGY: 3622600 3994.5216 20741.0270 14511.4515 254.2721 -203591.7865 2706.9879 0.0000 0.0000 51744.8048 -109638.7216 297.3781 -161383.5264 -109278.3168 298.8727 -24.2460 3.4122 761586.4459 5.3701 5.2854 PRESSURE: 3622800 -224.108 -125.221 -152.96 -125.221 -135.677 -110.861 -152.96 -110.86 151.472 GPRESSURE: 3622800 -168.946 42.0472 -137.67 -176.301 -101.199 -140.883 -176.229 -26.1534 163.709 PRESSAVG: 3622800 -7.86283 14.8691 5.05311 14.8691 4.95819 -17.3656 5.05311 -17.3656 -20.5308 GPRESSAVG: 3622800 -7.11508 15.2835 5.49562 15.0486 5.04784 -16.2705 4.95544 -18.2068 -21.2667 TIMING: 3622800 CPU: 11608, 0.00404751/step Wall: 11608, 0.00404751/step, 1.5484 hours remaining, 233.058594 MB of memory in use. ENERGY: 3622800 3993.1195 20598.0098 14514.8939 255.4060 -203217.0005 2456.4303 0.0000 0.0000 51832.2414 -109566.8995 297.8806 -161399.1409 -109208.4606 298.6317 -69.4374 -35.4788 762927.4881 -7.8118 -7.7780 PRESSURE: 3623000 140.079 81.928 -174.477 81.9278 -19.2652 147.952 -174.479 147.953 339.791 GPRESSURE: 3623000 103.135 16.9443 -138.736 64.9892 -3.02446 75.4384 -162.672 136.114 435.502 PRESSAVG: 3623000 -32.5619 -0.826288 -9.60931 -0.826241 -32.061 -3.05316 -9.60934 -3.05316 13.5944 GPRESSAVG: 3623000 -31.9812 -0.0212241 -9.95615 -1.71843 -32.0441 -5.65456 -7.42511 -2.63861 13.5964 TIMING: 3623000 CPU: 11608.8, 0.00401838/step Wall: 11608.8, 0.00401838/step, 1.53703 hours remaining, 233.058594 MB of memory in use. ENERGY: 3623000 3963.9558 20521.3948 14595.0860 257.3730 -203679.0544 2795.3202 0.0000 0.0000 52118.2145 -109427.7101 299.5241 -161545.9246 -109066.9364 298.9929 153.5348 178.5373 761488.7916 -17.0095 -16.8096 PRESSURE: 3623200 58.0868 -27.2434 32.0718 -27.243 327.295 229.214 32.0708 229.215 -196.883 GPRESSURE: 3623200 103.553 81.6003 67.7437 47.3322 285.574 233.972 -114.765 238.832 -130.974 PRESSAVG: 3623200 -8.74797 24.1398 -12.0678 24.1398 5.62483 -27.4467 -12.0678 -27.4467 11.1096 GPRESSAVG: 3623200 -8.55307 22.8374 -12.5529 25.5372 5.18336 -25.7835 -13.667 -27.529 11.6257 TIMING: 3623200 CPU: 11609.6, 0.00407293/step Wall: 11609.6, 0.00407293/step, 1.55767 hours remaining, 233.058594 MB of memory in use. ENERGY: 3623200 3908.2104 20521.4012 14519.9813 235.6509 -203157.5570 2431.2629 0.0000 0.0000 52185.6344 -109355.4159 299.9116 -161541.0503 -108995.2959 299.4853 62.8330 86.0509 760208.8194 2.6621 2.7520 PRESSURE: 3623400 50.6574 -36.5806 158.182 -36.5804 309.38 44.5566 158.182 44.5573 -82.3196 GPRESSURE: 3623400 21.6245 10.2557 154.769 -35.6291 314.361 -59.0305 56.9131 86.1349 26.7224 PRESSAVG: 3623400 22.3326 7.20052 -81.9936 7.20056 -17.8891 32.5382 -81.9937 32.5382 14.0935 GPRESSAVG: 3623400 23.0249 8.06247 -82.3331 6.86595 -18.3257 32.492 -81.0557 30.2495 13.4504 TIMING: 3623400 CPU: 11610.4, 0.00406141/step Wall: 11610.4, 0.00406141/step, 1.55304 hours remaining, 233.070312 MB of memory in use. ENERGY: 3623400 3992.6731 20602.7714 14425.1754 241.5093 -203268.5352 2608.4652 0.0000 0.0000 52100.3366 -109297.6043 299.4214 -161397.9409 -108948.5276 299.8215 92.5726 120.9025 762789.1800 6.1790 6.0499 PRESSURE: 3623600 -198.358 238.621 -70.9798 238.621 128.108 -128.969 -70.9794 -128.97 44.4466 GPRESSURE: 3623600 -90.2595 184.093 2.97694 186.03 209.805 -68.9515 12.8033 -13.3183 -48.9835 PRESSAVG: 3623600 -10.1183 -2.12571 4.08907 -2.12574 -14.0376 -16.721 4.08901 -16.721 -25.5516 GPRESSAVG: 3623600 -10.2325 -1.44607 3.62902 -3.9232 -12.7737 -17.6171 4.53178 -14.0288 -26.546 TIMING: 3623600 CPU: 11611.2, 0.00405134/step Wall: 11611.2, 0.00405134/step, 1.54896 hours remaining, 233.070312 MB of memory in use. ENERGY: 3623600 3968.0103 20339.7037 14478.5984 256.9295 -203343.9391 2809.8285 0.0000 0.0000 51962.8263 -109528.0425 298.6311 -161490.8688 -109167.6064 299.3935 -8.6009 23.5206 760672.1149 -16.5692 -16.5174 PRESSURE: 3623800 199.972 -126.878 37.0699 -126.878 -127.462 410.507 37.0696 410.506 -78.6153 GPRESSURE: 3623800 252.71 -113.892 -3.0884 -144.265 -63.106 392.23 70.1501 116.848 -111.446 PRESSAVG: 3623800 -24.7853 -70.4815 4.28711 -70.4816 32.9995 31.9985 4.28705 31.9985 12.8128 GPRESSAVG: 3623800 -26.1679 -71.5194 4.25741 -69.7777 33.5495 33.047 4.13026 30.2328 14.2013 TIMING: 3623800 CPU: 11612, 0.00403718/step Wall: 11612, 0.00403718/step, 1.54332 hours remaining, 233.070312 MB of memory in use. ENERGY: 3623800 4021.1843 20401.8803 14547.1965 240.2781 -203514.3166 2681.0179 0.0000 0.0000 51899.4646 -109723.2948 298.2669 -161622.7594 -109364.2938 298.9466 -2.0354 26.0526 759770.2719 7.0090 7.1943 PRESSURE: 3624000 -45.9473 -145.299 -217.13 -145.3 -282.308 -83.7995 -217.13 -83.799 -88.8629 GPRESSURE: 3624000 -79.8114 -171.89 -216.282 -118.267 -220.566 -104.084 -198.684 -52.915 -24.2643 PRESSAVG: 3624000 -30.7989 -23.9828 1.83587 -23.9829 48.0794 18.9579 1.8359 18.9579 -2.96355 GPRESSAVG: 3624000 -29.33 -23.0633 2.8708 -22.229 46.2203 18.0987 1.87071 18.4097 -2.97482 TIMING: 3624000 CPU: 11612.8, 0.00401534/step Wall: 11612.8, 0.00401534/step, 1.53475 hours remaining, 233.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3624000 3960.5462 20426.4393 14576.0518 242.6101 -203556.4054 2606.9089 0.0000 0.0000 51998.9848 -109744.8642 298.8389 -161743.8491 -109384.5167 298.7804 -139.0393 -108.2139 760793.4621 4.7723 4.6385 PRESSURE: 3624200 -21.1728 116.404 -48.3213 116.403 -408.599 -17.1492 -48.3216 -17.1502 -321.27 GPRESSURE: 3624200 -96.2959 -25.6967 -51.4648 192.445 -253.187 -7.01906 -36.4249 -63.3121 -289.536 PRESSAVG: 3624200 16.3354 4.43119 -50.2068 4.43115 26.289 34.2427 -50.2068 34.2427 -15.2624 GPRESSAVG: 3624200 15.8406 1.72193 -50.2737 4.57559 27.6619 34.7386 -52.712 34.6369 -15.9965 TIMING: 3624200 CPU: 11613.7, 0.00405068/step Wall: 11613.7, 0.00405068/step, 1.54803 hours remaining, 233.070312 MB of memory in use. ENERGY: 3624200 3958.6961 20538.6221 14504.5965 231.6382 -203472.8618 2465.8292 0.0000 0.0000 52052.6533 -109720.8265 299.1473 -161773.4797 -109350.1656 298.5693 -250.3471 -213.0064 760316.2552 9.1207 9.1687 LDB: ============= START OF LOAD BALANCING ============== 11626.2 LDB: ============== END OF LOAD BALANCING =============== 11626.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11626.2 LDB: ============= START OF LOAD BALANCING ============== 11626.6 LDB: Largest compute 7033 load 0.031406 is 16.3% of average load 0.193268 LDB: Average compute 0.004461 is 2.3% of average load 0.193268 LDB: TIME 11626.6 LOAD: AVG 0.193268 MAX 0.212344 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 11626.6 LOAD: AVG 0.193268 MAX 0.212344 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.57 MB LDB: TIME 11626.6 LOAD: AVG 0.193268 MAX 0.212344 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.57 MB LDB: ============== END OF LOAD BALANCING =============== 11626.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11626.6 PRESSURE: 3624400 -51.7752 210.904 136.423 210.903 29.2221 -10.7691 136.423 -10.769 323.973 GPRESSURE: 3624400 -3.57012 188.075 161.747 97.342 94.3302 -12.4653 176.042 19.8894 306.697 PRESSAVG: 3624400 -0.0559466 16.6308 -64.8284 16.6307 -31.4136 34.1071 -64.8284 34.107 24.0235 GPRESSAVG: 3624400 -0.129296 17.925 -64.6275 14.8489 -32.379 34.1919 -63.5358 34.2366 25.057 TIMING: 3624400 CPU: 11614.5, 0.00411324/step Wall: 11614.5, 0.00411324/step, 1.57171 hours remaining, 233.234375 MB of memory in use. ENERGY: 3624400 4006.1322 20360.8821 14463.0291 240.7081 -203412.7958 2573.6365 0.0000 0.0000 51966.8241 -109801.5838 298.6541 -161768.4079 -109443.2612 299.1477 100.4731 132.4855 759997.6951 -2.4820 -2.4838 PRESSURE: 3624600 -19.375 -140.844 173.049 -140.845 186.66 -149.916 173.049 -149.916 319.686 GPRESSURE: 3624600 20.6584 -123.902 171.796 -105.59 244.569 -126.06 49.7277 -121.973 300.04 PRESSAVG: 3624600 -22.8933 -6.2644 -35.2008 -6.26439 32.8115 6.00476 -35.2008 6.00473 10.5706 GPRESSAVG: 3624600 -22.4881 -4.41188 -34.4145 -4.5497 33.2245 6.23812 -36.5034 6.12792 9.54983 TIMING: 3624600 CPU: 11615.3, 0.00404659/step Wall: 11615.3, 0.00404659/step, 1.54602 hours remaining, 233.437500 MB of memory in use. ENERGY: 3624600 3967.5627 20420.8524 14519.4724 234.6138 -203773.6665 2821.0242 0.0000 0.0000 51829.2746 -109980.8664 297.8636 -161810.1410 -109620.7904 298.3531 162.3238 188.4225 759836.2655 6.8296 6.7621 PRESSURE: 3624800 -461.45 109.917 123.568 109.916 49.9174 -8.65288 123.569 -8.65278 -342.044 GPRESSURE: 3624800 -431.501 -82.4609 70.1163 246.514 40.5366 12.0588 81.9313 -124.888 -268.292 PRESSAVG: 3624800 -10.6233 19.5061 17.0371 19.506 -10.9014 50.2167 17.0371 50.2167 9.6539 GPRESSAVG: 3624800 -11.9136 17.1265 16.3395 18.6255 -9.98441 49.6116 16.7371 47.7217 10.0759 TIMING: 3624800 CPU: 11616.1, 0.00402845/step Wall: 11616.1, 0.00402845/step, 1.53887 hours remaining, 233.437500 MB of memory in use. ENERGY: 3624800 4039.0869 20346.2388 14504.5941 244.9744 -203635.4076 2366.5221 0.0000 0.0000 51971.4322 -110162.5592 298.6805 -162133.9913 -109786.4065 298.3030 -251.1920 -219.7521 761159.8428 -3.9569 -3.9407 PRESSURE: 3625000 -240.487 -107.14 -17.6781 -107.141 -117.263 61.2949 -17.679 61.2939 -94.7651 GPRESSURE: 3625000 -190.828 -134.453 -0.703017 -174.244 -77.1403 81.9974 -45.8279 99.8412 -103.179 PRESSAVG: 3625000 -24.3412 -33.6705 -18.6529 -33.6705 58.3126 55.411 -18.6529 55.411 11.0341 GPRESSAVG: 3625000 -23.8392 -31.7198 -18.2803 -32.8959 57.1149 56.9508 -17.5689 56.9325 11.6376 TIMING: 3625000 CPU: 11616.9, 0.00405392/step Wall: 11616.9, 0.00405392/step, 1.54837 hours remaining, 233.640625 MB of memory in use. ENERGY: 3625000 3960.1760 20588.8396 14550.5812 255.0142 -203442.9942 2136.8657 0.0000 0.0000 51784.6959 -110166.8215 297.6074 -161951.5174 -109809.4058 298.0781 -150.8385 -123.7157 760424.2050 15.0018 14.9711 PRESSURE: 3625200 327.726 83.4871 -171.528 83.4864 -138.191 -59.3638 -171.528 -59.3639 -20.6154 GPRESSURE: 3625200 243.418 82.7808 -121.897 77.4075 -16.0535 -198.824 -234.215 54.4169 23.7481 PRESSAVG: 3625200 22.6661 -35.1874 0.896517 -35.1872 -4.50596 20.1206 0.896503 20.1206 10.2562 GPRESSAVG: 3625200 22.606 -35.475 0.943723 -36.1959 -3.45001 20.0874 -0.483035 21.3233 9.07217 TIMING: 3625200 CPU: 11617.7, 0.00404105/step Wall: 11617.7, 0.00404105/step, 1.54323 hours remaining, 233.640625 MB of memory in use. ENERGY: 3625200 3881.9095 20552.8532 14467.3475 244.1230 -203582.2895 2433.1098 0.0000 0.0000 51880.1599 -110122.7865 298.1560 -162002.9464 -109757.3179 297.3908 56.3066 83.7044 759912.2821 9.4721 9.4094 PRESSURE: 3625400 31.6364 4.13841 47.5124 4.13875 -367.268 160.982 47.5127 160.982 -155.535 GPRESSURE: 3625400 100.459 -30.8876 41.0265 -24.416 -354.429 82.8829 136.502 227.489 -159.104 PRESSAVG: 3625400 43.3762 -29.2187 22.4649 -29.2187 2.47538 55.4255 22.4649 55.4255 30.3684 GPRESSAVG: 3625400 43.6229 -29.6674 22.633 -28.9677 1.99946 53.4686 22.6628 56.7427 30.4229 TIMING: 3625400 CPU: 11618.5, 0.00402405/step Wall: 11618.5, 0.00402405/step, 1.53652 hours remaining, 233.640625 MB of memory in use. ENERGY: 3625400 3983.1722 20676.8134 14509.5847 245.7984 -203688.6750 2460.8463 0.0000 0.0000 51795.0967 -110017.3633 297.6671 -161812.4599 -109660.1047 298.2337 -163.7221 -137.6912 760735.6599 25.4067 25.3484 PRESSURE: 3625600 -222.758 -51.8543 -124.565 -51.8541 -463.647 -143.64 -124.565 -143.639 -103.442 GPRESSURE: 3625600 -194.353 -30.7252 -160.242 16.2503 -380.034 -102.838 -128.744 -123.014 -134.001 PRESSAVG: 3625600 77.3818 -15.1576 16.2882 -15.1576 -69.2898 11.2169 16.2882 11.2168 -0.68065 GPRESSAVG: 3625600 76.3105 -16.4364 14.8595 -14.5919 -68.1843 12.8134 18.3895 9.29284 -0.57629 TIMING: 3625600 CPU: 11619.3, 0.00402308/step Wall: 11619.3, 0.00402308/step, 1.53592 hours remaining, 233.640625 MB of memory in use. ENERGY: 3625600 3965.9154 20482.5497 14464.5080 236.2714 -203268.0045 2281.4655 0.0000 0.0000 51795.1499 -110042.1445 297.6674 -161837.2943 -109669.4175 298.4208 -263.2825 -236.1293 762676.8942 2.4705 2.5167 PRESSURE: 3625800 47.9457 -110.488 -128.947 -110.489 160.426 -160.229 -128.947 -160.229 232.847 GPRESSURE: 3625800 95.2327 -34.3023 -155.455 -20.717 136.616 -207.597 -153.137 7.90994 309.215 PRESSAVG: 3625800 25.4758 -12.2714 30.6375 -12.2715 -65.9707 -29.8277 30.6376 -29.8276 -8.6273 GPRESSAVG: 3625800 26.634 -11.6345 31.0051 -12.7764 -67.8023 -32.8128 30.0308 -28.2608 -8.51927 TIMING: 3625800 CPU: 11620.1, 0.00402655/step Wall: 11620.1, 0.00402655/step, 1.53702 hours remaining, 233.640625 MB of memory in use. ENERGY: 3625800 3969.7347 20376.3196 14460.5288 258.0082 -203921.1415 2780.0631 0.0000 0.0000 52141.0488 -109935.4383 299.6553 -162076.4870 -109561.0775 298.4032 147.0728 180.3544 761239.7762 -16.3740 -16.5625 PRESSURE: 3626000 -187.244 131.33 52.5846 131.328 -367.654 68.2546 52.5845 68.2544 -18.4962 GPRESSURE: 3626000 -141.733 90.0151 -7.11922 70.1024 -361.592 200.38 35.0241 47.5042 -9.81229 PRESSAVG: 3626000 67.1713 -34.2062 -13.4698 -34.2062 -15.8711 75.7427 -13.4698 75.7426 8.31234 GPRESSAVG: 3626000 66.277 -33.033 -13.0191 -34.4425 -16.1861 77.9823 -14.4944 72.0895 9.16023 TIMING: 3626000 CPU: 11620.9, 0.00406027/step Wall: 11620.9, 0.00406027/step, 1.54967 hours remaining, 233.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3626000 4074.4853 20475.0833 14522.4055 243.9647 -203297.0044 2367.9655 0.0000 0.0000 51687.6683 -109925.4317 297.0497 -161613.1001 -109574.3173 298.3826 -191.1311 -171.0459 761790.3892 19.8709 19.7504 PRESSURE: 3626200 49.5659 20.4917 23.9332 20.4917 268.168 24.0672 23.9336 24.0669 313.441 GPRESSURE: 3626200 81.2689 -103.216 56.7378 51.2108 351.239 -58.954 -71.4733 35.9557 286.482 PRESSAVG: 3626200 5.0287 17.4003 15.7562 17.4003 -29.1297 20.7833 15.7562 20.7833 -16.7058 GPRESSAVG: 3626200 5.66582 15.2268 14.8131 18.1791 -29.1425 20.3314 17.0716 23.2497 -17.6258 TIMING: 3626200 CPU: 11621.7, 0.00403314/step Wall: 11621.7, 0.00403314/step, 1.53909 hours remaining, 233.640625 MB of memory in use. ENERGY: 3626200 3991.3498 20425.9122 14497.9126 244.2757 -204330.1544 3073.1968 0.0000 0.0000 51974.8627 -110122.6445 298.7003 -162097.5072 -109758.0059 298.2036 210.3918 239.6632 761076.3942 -13.6023 -13.7008 PRESSURE: 3626400 -169.473 -66.1789 30.3555 -66.179 -271.436 66.7196 30.3553 66.7197 -498.941 GPRESSURE: 3626400 -117.897 -50.1533 28.2806 -90.4851 -209.779 48.676 122.466 6.81638 -520.217 PRESSAVG: 3626400 -38.8445 -79.4232 -53.0389 -79.4232 23.0659 -20.1497 -53.0388 -20.1497 -6.3519 GPRESSAVG: 3626400 -39.1745 -79.7653 -51.5102 -79.811 23.4017 -20.5534 -53.6304 -21.089 -5.58359 TIMING: 3626400 CPU: 11622.5, 0.004024/step Wall: 11622.5, 0.004024/step, 1.53538 hours remaining, 233.640625 MB of memory in use. ENERGY: 3626400 4011.0701 20346.6836 14548.0688 252.8691 -203796.5793 2358.7757 0.0000 0.0000 52052.8367 -110226.2752 299.1484 -162279.1119 -109858.9736 297.9649 -313.2835 -282.6311 761824.9675 -7.3769 -7.1188 PRESSURE: 3626600 138.12 -55.9107 227.554 -55.9113 328.971 14.933 227.554 14.9335 -3.17012 GPRESSURE: 3626600 93.6539 49.6992 127.853 -186.061 445.721 -1.21752 254.768 47.0214 6.36556 PRESSAVG: 3626600 -20.5766 -34.119 -2.56975 -34.119 44.8546 2.45367 -2.56969 2.45366 -1.22708 GPRESSAVG: 3626600 -21.4116 -31.6175 -2.73208 -34.2587 45.7728 3.43316 -3.40542 2.85258 -2.00867 TIMING: 3626600 CPU: 11623.4, 0.00403541/step Wall: 11623.4, 0.00403541/step, 1.53951 hours remaining, 233.640625 MB of memory in use. ENERGY: 3626600 4006.9858 20599.1921 14530.2373 263.3898 -203923.4915 2675.2531 0.0000 0.0000 51658.6283 -110189.8052 296.8828 -161848.4334 -109827.3266 297.7304 154.6405 181.9136 760976.5673 7.6837 7.4509 PRESSURE: 3626800 26.6685 -215.082 -83.9141 -215.082 73.6982 76.2051 -83.9144 76.2039 -243.853 GPRESSURE: 3626800 11.9023 -250.895 -100.86 -154.251 104.15 -40.4286 -40.7035 -37.1318 -205.457 PRESSAVG: 3626800 -11.3394 -22.0252 24.675 -22.0252 -2.00305 -56.5819 24.675 -56.5819 -28.0613 GPRESSAVG: 3626800 -10.369 -21.7862 23.9753 -22.0037 -2.52304 -57.4557 25.8894 -55.4472 -27.7554 TIMING: 3626800 CPU: 11624.2, 0.00402738/step Wall: 11624.2, 0.00402738/step, 1.53622 hours remaining, 233.640625 MB of memory in use. ENERGY: 3626800 4033.2742 20458.2862 14439.8817 256.8161 -203885.8924 2691.8737 0.0000 0.0000 51983.0851 -110022.6754 298.7475 -162005.7605 -109655.5471 298.0196 -47.8288 -29.8017 762117.6866 -13.8012 -13.5491 PRESSURE: 3627000 -93.252 -104.799 221.058 -104.799 83.6514 240.521 221.058 240.522 -189.332 GPRESSURE: 3627000 -134.162 -13.6072 229.689 -97.596 110.348 214.997 308.227 329.456 -92.2419 PRESSAVG: 3627000 10.8829 -34.5112 17.8328 -34.5112 -29.6708 -41.9107 17.8327 -41.9106 -9.47965 GPRESSAVG: 3627000 11.6671 -33.0116 18.7929 -33.0146 -30.281 -39.5786 16.3564 -44.3494 -10.4648 TIMING: 3627000 CPU: 11625, 0.00401531/step Wall: 11625, 0.00401531/step, 1.5314 hours remaining, 233.640625 MB of memory in use. ENERGY: 3627000 4058.2705 20496.8620 14528.9606 231.7171 -204047.8396 2833.1148 0.0000 0.0000 51958.8840 -109940.0305 298.6084 -161898.9145 -109586.3805 298.1482 -66.3108 -38.6852 760997.6159 -9.4225 -9.6929 PRESSURE: 3627200 -96.8782 -277.403 -63.9049 -277.403 -24.9056 -37.3217 -63.9048 -37.3232 104.339 GPRESSURE: 3627200 99.7834 -134.478 -40.5491 -119.583 -50.0846 -61.3441 44.7033 96.4923 33.6203 PRESSAVG: 3627200 79.7353 -10.3898 34.0329 -10.3898 -31.5505 -84.0619 34.0329 -84.0619 -12.6775 GPRESSAVG: 3627200 78.6436 -13.041 34.5265 -9.77584 -31.0637 -86.8593 34.2807 -80.563 -12.0165 TIMING: 3627200 CPU: 11625.8, 0.00401421/step Wall: 11625.8, 0.00401421/step, 1.53075 hours remaining, 233.640625 MB of memory in use. ENERGY: 3627200 3994.1905 20397.6705 14497.6098 231.7951 -203502.0616 2496.2657 0.0000 0.0000 52022.8947 -109861.6354 298.9763 -161884.5301 -109505.8316 298.3536 -5.8148 27.7730 760644.8171 11.8358 11.8545 PRESSURE: 3627400 -6.56791 64.4935 -136.821 64.4945 -530.328 -146.118 -136.821 -146.118 -168.477 GPRESSURE: 3627400 -55.3408 30.1177 -104.768 36.6373 -492.609 -101.366 -69.2752 -244.933 -82.8004 PRESSAVG: 3627400 48.1793 10.7522 21.0542 10.7522 -60.706 -103.46 21.0542 -103.46 12.0518 GPRESSAVG: 3627400 48.3583 11.0929 18.5148 10.1956 -61.7643 -103.002 20.6789 -103.973 12.967 TIMING: 3627400 CPU: 11626.6, 0.00405915/step Wall: 11626.6, 0.00405915/step, 1.54766 hours remaining, 233.640625 MB of memory in use. ENERGY: 3627400 4002.7684 20532.0305 14580.8534 225.6817 -203523.0804 2341.1799 0.0000 0.0000 51830.3201 -110010.2464 297.8696 -161840.5665 -109651.3956 298.1237 -235.1244 -210.2500 761857.5602 -0.1583 -0.1463 PRESSURE: 3627600 168.962 150.819 4.90552 150.819 -340.339 -8.48942 4.90587 -8.48981 469.015 GPRESSURE: 3627600 232.901 229.273 -32.7097 31.1844 -311.115 -30.4686 -82.4614 95.6305 456.309 PRESSAVG: 3627600 8.33573 9.35831 -23.0561 9.35828 -42.9045 -54.7686 -23.056 -54.7686 2.55124 GPRESSAVG: 3627600 8.53846 9.56404 -21.2226 8.17398 -43.2308 -54.8798 -22.8529 -56.8307 3.15147 TIMING: 3627600 CPU: 11627.4, 0.004022/step Wall: 11627.4, 0.004022/step, 1.53328 hours remaining, 233.640625 MB of memory in use. ENERGY: 3627600 3933.5380 20538.8373 14539.6018 238.4796 -203944.5712 2798.6974 0.0000 0.0000 51950.4645 -109944.9528 298.5600 -161895.4173 -109584.7654 297.7256 99.2130 126.0318 761801.9470 -10.6725 -10.5136 PRESSURE: 3627800 -318.602 -57.24 177.341 -57.2408 -306.107 11.9447 177.34 11.9438 -60.8564 GPRESSURE: 3627800 -263.37 -68.7389 174.394 -39.7826 -239.259 3.39147 167.294 -7.90641 -112.423 PRESSAVG: 3627800 41.1793 15.7913 -44.5596 15.7913 -54.7163 -14.0515 -44.5596 -14.0515 13.8494 GPRESSAVG: 3627800 40.7702 14.8099 -46.7744 16.5546 -52.9687 -13.4916 -42.8719 -11.4071 11.8627 TIMING: 3627800 CPU: 11628.2, 0.003999/step Wall: 11628.2, 0.003999/step, 1.52428 hours remaining, 233.640625 MB of memory in use. ENERGY: 3627800 3970.4443 20285.2890 14544.0144 261.8670 -203758.7546 2558.0333 0.0000 0.0000 52072.7008 -110066.4058 299.2625 -162139.1066 -109699.1193 297.4246 -228.5219 -205.0176 761002.6422 0.1041 -0.1119 PRESSURE: 3628000 93.8348 -229.11 26.7634 -229.109 44.283 302.74 26.7634 302.74 -12.5649 GPRESSURE: 3628000 213.328 -186.563 13.526 -160.072 -16.634 272.071 85.6448 211.649 18.965 PRESSAVG: 3628000 -13.7519 -38.2535 6.96861 -38.2535 10.4275 0.963527 6.96861 0.963559 0.613678 GPRESSAVG: 3628000 -13.0236 -37.7575 9.16249 -39.6613 9.08282 0.578224 4.6917 0.256208 1.25443 TIMING: 3628000 CPU: 11629, 0.00398779/step Wall: 11629, 0.00398779/step, 1.51979 hours remaining, 233.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3628000 3901.6787 20653.4661 14475.6356 258.1351 -203808.4053 2563.4865 0.0000 0.0000 51916.0426 -110039.9606 298.3622 -161956.0032 -109680.9556 298.3112 41.8510 71.8865 760390.4239 -0.9036 -0.8954 PRESSURE: 3628200 -451.448 -53.1329 -173.958 -53.1326 -349.573 -261.453 -173.959 -261.453 44.8765 GPRESSURE: 3628200 -421.048 9.33482 -108.543 -117.372 -266.647 -337.964 -232.555 -190.116 6.41127 PRESSAVG: 3628200 0.307632 -52.0872 -10.5498 -52.0872 -13.488 7.73158 -10.5498 7.73164 3.55132 GPRESSAVG: 3628200 1.12055 -52.5544 -11.6612 -51.152 -13.363 6.47799 -9.31356 8.61791 2.10368 TIMING: 3628200 CPU: 11629.8, 0.00402685/step Wall: 11629.8, 0.00402685/step, 1.53445 hours remaining, 233.640625 MB of memory in use. ENERGY: 3628200 4060.2131 20402.5926 14431.9913 247.2150 -203627.9857 2580.4421 0.0000 0.0000 51735.6870 -110169.8445 297.3257 -161905.5315 -109815.6059 297.8828 -252.0483 -227.0946 761527.1622 -3.2097 -3.3796 LDB: ============= START OF LOAD BALANCING ============== 11642.3 LDB: ============== END OF LOAD BALANCING =============== 11642.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11642.3 LDB: ============= START OF LOAD BALANCING ============== 11642.7 LDB: Largest compute 7033 load 0.032120 is 16.6% of average load 0.193131 LDB: Average compute 0.004465 is 2.3% of average load 0.193131 LDB: TIME 11642.7 LOAD: AVG 0.193131 MAX 0.211578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.824 MB LDB: TIME 11642.7 LOAD: AVG 0.193131 MAX 0.211578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: TIME 11642.7 LOAD: AVG 0.193131 MAX 0.211578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: ============== END OF LOAD BALANCING =============== 11642.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11642.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 3628400 0.451654 407.813 95.1559 407.813 -117.419 186.622 95.1565 186.622 85.0909 GPRESSURE: 3628400 -10.6293 319.468 69.6619 338.305 -62.5337 58.2278 83.104 100.998 151.876 PRESSAVG: 3628400 -36.7663 -73.9757 2.29807 -73.9757 35.5926 -35.4958 2.29807 -35.4959 -21.426 GPRESSAVG: 3628400 -38.0118 -73.3637 3.45105 -73.736 36.3384 -35.0512 1.41202 -36.6718 -20.9485 TIMING: 3628400 CPU: 11630.6, 0.00407302/step Wall: 11630.6, 0.00407302/step, 1.55182 hours remaining, 235.886719 MB of memory in use. ENERGY: 3628400 3944.6705 20275.9668 14366.3782 247.5002 -203301.8438 2493.7942 0.0000 0.0000 51986.4513 -109987.0827 298.7668 -161973.5339 -109622.2631 297.1813 -10.6255 26.2375 761146.9385 -7.5332 -7.5406 PRESSURE: 3628600 233.082 52.0105 70.0693 52.011 29.7275 -166.812 70.0692 -166.813 -236.067 GPRESSURE: 3628600 148.905 -50.2652 89.8794 -2.55493 149.996 -152.313 -78.7149 -63.2643 -184.739 PRESSAVG: 3628600 -22.574 26.3165 22.0471 26.3165 -15.3758 -79.4903 22.047 -79.4904 -12.1852 GPRESSAVG: 3628600 -23.8454 25.7072 22.6784 26.3488 -14.1787 -78.425 21.5738 -78.7163 -12.2083 TIMING: 3628600 CPU: 11631.4, 0.00397867/step Wall: 11631.4, 0.00397868/step, 1.51565 hours remaining, 236.089844 MB of memory in use. ENERGY: 3628600 3984.7856 20386.5095 14450.9891 262.4549 -203436.5165 2422.2353 0.0000 0.0000 51943.8870 -109985.6551 298.5222 -161929.5420 -109622.2683 297.7366 8.9142 38.0539 760242.1053 -16.7117 -16.7441 PRESSURE: 3628800 -180.777 -46.7709 35.7952 -46.7723 -245.42 161.637 35.7949 161.637 -181.217 GPRESSURE: 3628800 -117.884 6.30956 73.92 -35.1259 -283.336 155.585 154.938 144.886 -130.344 PRESSAVG: 3628800 6.9356 -16.5596 4.04669 -16.5596 13.0999 9.84709 4.04665 9.84716 0.453314 GPRESSAVG: 3628800 7.40233 -16.8239 3.80853 -18.5982 11.9722 9.39006 5.02176 9.16209 1.36477 TIMING: 3628800 CPU: 11632.2, 0.00398432/step Wall: 11632.2, 0.00398432/step, 1.51758 hours remaining, 236.089844 MB of memory in use. ENERGY: 3628800 3987.4168 20445.3402 14479.9513 233.4430 -203519.5705 2415.3861 0.0000 0.0000 52093.4736 -109864.5595 299.3819 -161958.0331 -109500.1505 298.1822 -202.4717 -177.1878 759293.0933 6.8296 6.9131 PRESSURE: 3629000 21.387 -45.1926 26.6176 -45.1922 -60.768 118.704 26.6178 118.704 65.8634 GPRESSURE: 3629000 188.555 -1.74621 39.1241 22.3608 -46.0026 120.319 83.4463 83.2733 -14.8396 PRESSAVG: 3629000 78.0573 -44.0393 -9.23515 -44.0393 -85.3181 54.0312 -9.23519 54.0313 3.18527 GPRESSAVG: 3629000 77.6234 -44.1142 -9.14253 -43.2359 -84.2477 54.2795 -10.4466 52.7908 3.10755 TIMING: 3629000 CPU: 11633, 0.00395878/step Wall: 11633, 0.00395878/step, 1.50764 hours remaining, 236.089844 MB of memory in use. ENERGY: 3629000 3930.8775 20498.1430 14445.2301 251.6745 -203334.3944 2329.0324 0.0000 0.0000 52051.6507 -109827.7862 299.1416 -161879.4369 -109459.9100 298.6655 8.8274 42.5708 758998.8457 -1.3585 -1.1722 PRESSURE: 3629200 308.172 -141.947 -189.715 -141.947 209.354 -28.3037 -189.716 -28.304 435.093 GPRESSURE: 3629200 316.877 -183.008 -192.139 -268.627 319.827 32.3684 -178.704 9.02325 417.023 PRESSAVG: 3629200 112.048 -16.7433 2.38544 -16.7433 -31.2508 48.3795 2.38543 48.3795 14.2635 GPRESSAVG: 3629200 112.943 -15.6835 1.39699 -15.3986 -31.2219 49.0201 3.66262 47.3611 13.2545 TIMING: 3629200 CPU: 11633.8, 0.00400073/step Wall: 11633.8, 0.00400073/step, 1.52339 hours remaining, 236.089844 MB of memory in use. ENERGY: 3629200 3926.6347 20390.0430 14507.2060 245.2195 -203873.7758 2942.3777 0.0000 0.0000 52147.3497 -109714.9451 299.6915 -161862.2949 -109352.6371 299.1673 317.5398 351.2424 758959.1499 31.6870 31.6585 PRESSURE: 3629400 260.372 -130.457 50.4606 -130.457 -310.148 202.203 50.4609 202.202 -136.83 GPRESSURE: 3629400 240.148 32.6456 14.8533 -1.01789 -234.608 192.001 55.7992 131.485 -120.306 PRESSAVG: 3629400 67.7725 -65.2528 1.55094 -65.2528 -59.5386 -23.7507 1.55093 -23.7508 -9.75923 GPRESSAVG: 3629400 68.6885 -65.0251 2.1944 -64.51 -60.8458 -25.6478 1.30175 -22.009 -8.17183 TIMING: 3629400 CPU: 11634.6, 0.00400716/step Wall: 11634.6, 0.00400716/step, 1.52561 hours remaining, 236.089844 MB of memory in use. ENERGY: 3629400 3971.1408 20403.6563 14443.5377 260.2840 -203200.4803 2351.0434 0.0000 0.0000 51891.5279 -109879.2902 298.2213 -161770.8181 -109517.8810 298.4444 -62.2021 -38.2553 760100.9192 -0.5084 -0.1097 PRESSURE: 3629600 -56.4759 -64.1699 128.115 -64.1699 -251.384 32.0355 128.116 32.036 311.554 GPRESSURE: 3629600 -10.4124 -42.0843 199.268 -106.371 -161.958 78.4941 215.851 -47.9119 264.579 PRESSAVG: 3629600 52.0108 -14.0841 11.7311 -14.0841 -40.4432 -13.818 11.7311 -13.818 24.1187 GPRESSAVG: 3629600 51.9993 -17.0237 12.1293 -13.2595 -39.2237 -13.9261 9.76866 -14.7091 23.0343 TIMING: 3629600 CPU: 11635.4, 0.00397679/step Wall: 11635.4, 0.00397679/step, 1.51383 hours remaining, 236.089844 MB of memory in use. ENERGY: 3629600 4005.4354 20527.0298 14511.0662 257.1054 -203529.6352 2325.0985 0.0000 0.0000 52032.3073 -109871.5927 299.0304 -161903.8999 -109516.0402 298.5487 1.2316 30.7363 759552.6961 11.8954 11.9366 PRESSURE: 3629800 86.4768 151.444 223.265 151.445 -89.8035 53.6849 223.265 53.6859 302.687 GPRESSURE: 3629800 145.168 129.257 195.531 171.907 -15.8037 62.4976 302.347 -19.0415 251.714 PRESSAVG: 3629800 7.19974 -42.9726 24.2599 -42.9726 -20.3114 7.76024 24.2599 7.7602 -24.4633 GPRESSAVG: 3629800 8.09752 -41.2283 23.835 -44.9611 -21.0965 8.69941 28.302 7.74679 -24.2856 TIMING: 3629800 CPU: 11636.2, 0.00400158/step Wall: 11636.2, 0.00400158/step, 1.52305 hours remaining, 236.089844 MB of memory in use. ENERGY: 3629800 3955.0908 20503.8567 14433.1033 264.9760 -203716.0275 2617.7506 0.0000 0.0000 51903.5588 -110037.6911 298.2905 -161941.2499 -109676.7432 298.6702 99.7867 127.0262 759123.5110 -12.5250 -12.4282 PRESSURE: 3630000 175.54 -173.306 21.5355 -173.306 -189.526 246.01 21.5351 246.011 -170.885 GPRESSURE: 3630000 133.126 -314.899 -62.8353 -131.226 -164.973 215.283 -93.5934 280.949 -78.7167 PRESSAVG: 3630000 16.3293 -17.5785 73.9588 -17.5786 -0.918743 -3.35992 73.9589 -3.35999 -26.6308 GPRESSAVG: 3630000 16.0879 -17.9362 72.8661 -16.8581 -1.2114 -3.80612 72.7599 -2.02345 -26.2601 TIMING: 3630000 CPU: 11637, 0.00398023/step Wall: 11637, 0.00398023/step, 1.5147 hours remaining, 236.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3630000 3943.1507 20573.3598 14497.8486 273.3308 -203083.5434 2253.8262 0.0000 0.0000 51835.7312 -109706.2961 297.9007 -161542.0272 -109357.9409 298.6685 -61.6237 -36.8543 761447.2025 -3.7401 -3.7945 PRESSURE: 3630200 -325.74 127.451 -24.1035 127.45 -290.917 19.4161 -24.1044 19.4164 -294.867 GPRESSURE: 3630200 -248.376 80.0321 0.348342 125.977 -185.75 46.8276 -143.403 79.45 -368.017 PRESSAVG: 3630200 58.335 3.69055 11.2435 3.69052 -46.9043 -18.0788 11.2435 -18.0788 12.8834 GPRESSAVG: 3630200 56.6109 3.99928 11.524 3.90542 -46.4728 -15.9316 11.2798 -18.8402 14.4779 TIMING: 3630200 CPU: 11637.8, 0.00401185/step Wall: 11637.8, 0.00401185/step, 1.52651 hours remaining, 236.089844 MB of memory in use. ENERGY: 3630200 4023.0768 20428.7145 14504.6731 243.8227 -202768.7873 2042.6788 0.0000 0.0000 52139.1430 -109386.6784 299.6444 -161525.8213 -109015.2086 299.4494 -303.8412 -267.3808 761377.0492 8.1047 8.2054 PRESSURE: 3630400 203.129 -87.2073 -157.672 -87.2078 50.3548 -125.094 -157.672 -125.094 68.8532 GPRESSURE: 3630400 319.754 -62.3864 -159.579 -74.3233 14.3362 -125.155 2.76157 -97.2527 68.4931 PRESSAVG: 3630400 59.6967 -58.2576 -29.29 -58.2576 -55.2879 -1.33258 -29.29 -1.33254 -23.6054 GPRESSAVG: 3630400 62.3016 -57.2861 -29.5736 -59.6623 -55.3811 -3.22708 -28.8803 -0.307334 -25.5218 TIMING: 3630400 CPU: 11638.6, 0.00402271/step Wall: 11638.6, 0.00402271/step, 1.53042 hours remaining, 236.089844 MB of memory in use. ENERGY: 3630400 4050.7938 20654.2687 14585.1335 241.3735 -203654.1134 2591.3731 0.0000 0.0000 52048.5800 -109482.5910 299.1239 -161531.1710 -109130.2705 299.1428 107.4456 134.1943 761139.2746 -6.3989 -6.2004 PRESSURE: 3630600 8.09987 -134.259 -124.653 -134.258 -46.4157 -104.601 -124.653 -104.601 199.665 GPRESSURE: 3630600 56.4371 -137.383 -82.1723 -153.983 -65.7635 -48.6542 -153.285 -8.91913 272.719 PRESSAVG: 3630600 32.7438 -20.9927 -29.6046 -20.9928 -48.9179 -30.6357 -29.6047 -30.6356 7.8837 GPRESSAVG: 3630600 31.2981 -21.1985 -30.0543 -21.8452 -48.5385 -31.8058 -31.6812 -30.6952 8.98976 TIMING: 3630600 CPU: 11639.4, 0.00404169/step Wall: 11639.4, 0.00404169/step, 1.53741 hours remaining, 236.089844 MB of memory in use. ENERGY: 3630600 3970.0078 20589.3133 14517.8790 245.9336 -203695.1502 2758.7130 0.0000 0.0000 52020.1363 -109593.1674 298.9604 -161613.3036 -109231.1948 299.4143 53.7831 87.7976 760359.0854 -2.7635 -2.7502 PRESSURE: 3630800 40.6962 -144.335 109.643 -144.335 -101.19 77.4687 109.642 77.4684 393.72 GPRESSURE: 3630800 82.8647 -153.852 126.361 -95.7961 -31.1447 68.4756 93.3957 87.7733 366.716 PRESSAVG: 3630800 43.2124 -42.0293 2.32125 -42.0292 -26.1137 23.9441 2.32122 23.9441 0.897227 GPRESSAVG: 3630800 44.0088 -42.2291 1.75291 -38.4531 -26.7156 25.776 2.1059 22.2563 0.962383 TIMING: 3630800 CPU: 11640.2, 0.00403083/step Wall: 11640.2, 0.00403083/step, 1.53306 hours remaining, 236.089844 MB of memory in use. ENERGY: 3630800 3926.6858 20461.8312 14524.9959 257.3390 -203292.1729 2522.6757 0.0000 0.0000 52011.5179 -109587.1276 298.9109 -161598.6455 -109215.2289 299.3589 111.0753 139.4788 760010.4402 5.9986 6.0852 PRESSURE: 3631000 221.371 -47.915 102.94 -47.9147 212.516 -13.8534 102.94 -13.8527 -157.598 GPRESSURE: 3631000 202.609 20.6148 81.8299 -161.715 292.27 60.0256 55.341 33.2525 -138.489 PRESSAVG: 3631000 49.8475 -48.7752 21.5799 -48.7751 -76.2415 -7.68776 21.5798 -7.68767 7.90514 GPRESSAVG: 3631000 47.8792 -48.2456 23.3777 -51.3381 -73.8265 -8.96263 22.6495 -6.80741 7.39976 TIMING: 3631000 CPU: 11641, 0.00402359/step Wall: 11641, 0.00402359/step, 1.53008 hours remaining, 236.089844 MB of memory in use. ENERGY: 3631000 3867.4788 20487.0154 14466.3012 254.6489 -203463.9503 2619.2053 0.0000 0.0000 52124.6663 -109644.6342 299.5612 -161769.3006 -109281.7545 298.7345 92.0962 118.7969 759046.9221 -6.1629 -6.1825 PRESSURE: 3631200 -254.899 16.9663 38.2523 16.9672 -83.456 -187.395 38.2521 -187.395 70.4153 GPRESSURE: 3631200 -237.998 -101.108 124.217 99.6186 -25.3514 -221.78 -33.9137 -52.0573 82.7042 PRESSAVG: 3631200 41.9617 -40.1623 9.91943 -40.1623 -58.7671 -30.4848 9.91944 -30.4848 14.3932 GPRESSAVG: 3631200 42.4724 -40.935 10.0573 -40.186 -60.1774 -30.1698 8.18201 -30.0744 15.7203 TIMING: 3631200 CPU: 11641.8, 0.00405156/step Wall: 11641.8, 0.00405156/step, 1.54049 hours remaining, 236.089844 MB of memory in use. ENERGY: 3631200 3950.2120 20618.7180 14534.9128 233.9444 -203279.8244 2353.2686 0.0000 0.0000 51855.1928 -109733.5759 298.0125 -161588.7687 -109381.2201 299.1080 -89.3132 -60.2152 761505.7622 -0.8041 -0.6616 PRESSURE: 3631400 -70.9365 100.449 -95.0933 100.449 237.428 -9.17174 -95.0923 -9.17199 -124.197 GPRESSURE: 3631400 -7.87254 12.4299 -136.975 92.1527 229.642 -0.802284 22.6346 -64.9226 -101.019 PRESSAVG: 3631400 -15.5198 10.4758 -24.3924 10.4758 -2.60963 -29.7787 -24.3923 -29.7786 2.49168 GPRESSAVG: 3631400 -15.6277 9.08355 -24.2546 10.2479 -1.12343 -30.4058 -22.5112 -31.3053 1.06397 TIMING: 3631400 CPU: 11642.6, 0.00403676/step Wall: 11642.6, 0.00403676/step, 1.53464 hours remaining, 236.089844 MB of memory in use. ENERGY: 3631400 3927.5261 20492.8956 14536.0593 244.6484 -203429.6600 2721.7046 0.0000 0.0000 51840.3483 -109666.4778 297.9272 -161506.8261 -109310.4087 298.8610 14.0980 40.2499 760062.2519 -5.2126 -5.2290 PRESSURE: 3631600 -81.902 -20.7267 182.93 -20.7265 19.6626 -55.5896 182.93 -55.5901 9.10653 GPRESSURE: 3631600 38.0579 23.4288 191.744 -46.4005 -8.64134 -129.315 62.94 89.625 -8.07473 PRESSAVG: 3631600 1.67465 -12.2132 -15.3053 -12.2131 -13.6716 -79.1868 -15.3053 -79.1868 -12.0276 GPRESSAVG: 3631600 3.38375 -11.4491 -15.7975 -10.5249 -15.2029 -78.4037 -15.022 -77.7708 -11.7821 TIMING: 3631600 CPU: 11643.4, 0.00402743/step Wall: 11643.4, 0.00402743/step, 1.53087 hours remaining, 236.089844 MB of memory in use. ENERGY: 3631600 3941.0711 20531.3506 14420.4832 255.6228 -203133.8892 2627.5441 0.0000 0.0000 51620.9286 -109736.8888 296.6662 -161357.8174 -109374.3792 298.2591 -17.7110 7.1140 761142.2542 -8.0082 -7.8671 PRESSURE: 3631800 224.759 2.04028 140.374 2.03978 -85.863 -27.7069 140.375 -27.7071 88.4981 GPRESSURE: 3631800 317.778 -8.84731 81.3543 32.1227 -69.064 -29.6136 169.955 -95.6148 51.9821 PRESSAVG: 3631800 67.9378 -20.1038 11.3967 -20.1038 -8.28522 -74.2836 11.3967 -74.2835 14.7753 GPRESSAVG: 3631800 68.1667 -18.0711 10.43 -21.6532 -8.32293 -75.5807 12.1259 -71.5555 14.8084 TIMING: 3631800 CPU: 11644.2, 0.00403185/step Wall: 11644.2, 0.00403185/step, 1.53233 hours remaining, 236.089844 MB of memory in use. ENERGY: 3631800 3923.2092 20546.0111 14453.1508 231.4982 -203404.0878 2527.0750 0.0000 0.0000 51865.1783 -109857.9652 298.0699 -161723.1435 -109494.3812 298.4394 75.7982 100.2321 760264.1038 24.8093 24.8840 PRESSURE: 3632000 -98.2379 -132.889 -335.364 -132.888 -6.50515 -4.01525 -335.363 -4.0143 197.711 GPRESSURE: 3632000 20.8888 -207.196 -240.715 -173.952 -54.7984 -14.258 -248.894 47.7622 221.086 PRESSAVG: 3632000 -13.1543 -28.307 31.6672 -28.307 -7.20448 1.06185 31.6672 1.06182 24.969 GPRESSAVG: 3632000 -12.4162 -31.4722 33.6379 -26.1612 -8.14191 4.09887 27.9226 -2.94498 25.231 TIMING: 3632000 CPU: 11645, 0.00404674/step Wall: 11645, 0.00404674/step, 1.53776 hours remaining, 236.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3632000 3993.4835 20420.9916 14452.0392 245.7941 -203037.0008 2440.9520 0.0000 0.0000 51907.5617 -109576.1787 298.3135 -161483.7404 -109227.6895 298.6559 30.9894 62.3921 761482.0323 1.5367 1.5576 PRESSURE: 3632200 242.174 121.212 -126.755 121.213 -68.2539 81.4256 -126.756 81.4238 62.5703 GPRESSURE: 3632200 196.479 273.141 -120.666 -95.2733 43.3405 50.3898 -222.771 33.7357 67.8133 PRESSAVG: 3632200 33.2715 -63.3823 -24.4828 -63.3823 -27.4059 -41.5495 -24.4827 -41.5495 5.22395 GPRESSAVG: 3632200 32.4222 -61.7964 -25.7377 -65.0716 -27.0272 -43.59 -24.883 -38.821 5.70574 TIMING: 3632200 CPU: 11645.9, 0.00405119/step Wall: 11645.9, 0.0040512/step, 1.53923 hours remaining, 236.089844 MB of memory in use. ENERGY: 3632200 3964.2783 20448.4797 14433.2226 240.9780 -203402.6410 2716.3574 0.0000 0.0000 51788.5582 -109810.7668 297.6296 -161599.3250 -109452.3511 298.8027 78.8302 102.5443 760138.9000 3.6965 3.7003 LDB: ============= START OF LOAD BALANCING ============== 11658.4 LDB: ============== END OF LOAD BALANCING =============== 11658.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11658.4 LDB: ============= START OF LOAD BALANCING ============== 11658.8 LDB: Largest compute 7033 load 0.033114 is 17.1% of average load 0.193163 LDB: Average compute 0.004487 is 2.3% of average load 0.193163 LDB: TIME 11658.8 LOAD: AVG 0.193163 MAX 0.212724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 11658.8 LOAD: AVG 0.193163 MAX 0.212724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: TIME 11658.8 LOAD: AVG 0.193163 MAX 0.212724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: ============== END OF LOAD BALANCING =============== 11658.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11658.8 PRESSURE: 3632400 -103.146 -184.828 -209.087 -184.828 110.116 41.955 -209.087 41.9558 -72.3135 GPRESSURE: 3632400 -78.9649 -54.9916 -165.623 -43.3275 190.517 37.0476 -56.8282 4.73029 -100.673 PRESSAVG: 3632400 -12.0988 -3.36898 -8.22515 -3.36898 13.2953 -38.8047 -8.22506 -38.8048 -15.3076 GPRESSAVG: 3632400 -12.9444 -2.09659 -7.61601 -2.02965 14.6191 -36.7232 -5.91917 -42.5129 -16.4164 TIMING: 3632400 CPU: 11646.7, 0.00412392/step Wall: 11646.7, 0.00412392/step, 1.56663 hours remaining, 235.035156 MB of memory in use. ENERGY: 3632400 3990.5125 20323.2089 14448.0633 248.2747 -203648.3015 2560.9664 0.0000 0.0000 52141.6345 -109935.6411 299.6587 -162077.2756 -109571.6164 298.5871 -21.7811 3.6265 758962.3541 -4.7037 -4.9139 PRESSURE: 3632600 29.4713 26.6983 96.5317 26.6997 -336.955 36.6856 96.5318 36.6846 107.457 GPRESSURE: 3632600 2.60096 113.71 62.9422 -49.6446 -254.062 71.3729 77.7579 17.5249 135.715 PRESSAVG: 3632600 5.02833 -4.43681 13.324 -4.43679 -32.8993 -38.6133 13.324 -38.6132 -9.13652 GPRESSAVG: 3632600 5.27853 -5.50773 12.8915 -4.44242 -33.7231 -40.5769 11.8598 -37.303 -8.77402 TIMING: 3632600 CPU: 11647.5, 0.00404873/step Wall: 11647.5, 0.00404873/step, 1.53784 hours remaining, 235.234375 MB of memory in use. ENERGY: 3632600 3964.9247 20545.9299 14447.2643 220.8566 -203199.3461 2108.3211 0.0000 0.0000 51848.7441 -110063.3053 297.9754 -161912.0495 -109708.2033 298.0099 -66.6757 -38.5820 760463.5359 -12.3358 -12.4062 PRESSURE: 3632800 -211.397 32.8193 41.783 32.818 -144.197 172.687 41.7825 172.686 -131.653 GPRESSURE: 3632800 -79.7434 -130.553 99.6705 -67.3036 -157.582 166.66 93.5506 124.126 -154.855 PRESSAVG: 3632800 23.251 -17.4992 -16.0738 -17.4993 16.5931 6.55303 -16.0738 6.55303 9.71159 GPRESSAVG: 3632800 23.6649 -18.0552 -17.041 -18.9026 16.3206 5.59137 -15.4588 8.42302 9.60523 TIMING: 3632800 CPU: 11648.3, 0.00401369/step Wall: 11648.3, 0.00401369/step, 1.52431 hours remaining, 235.234375 MB of memory in use. ENERGY: 3632800 3943.6157 20472.3286 14437.8980 253.4080 -203433.1787 2408.9262 0.0000 0.0000 51999.0864 -109917.9158 298.8395 -161917.0022 -109546.9516 298.2707 -162.4156 -130.7267 760505.7481 16.5186 16.5302 PRESSURE: 3633000 -117.023 74.6826 -206.963 74.6827 -116.758 -285.826 -206.963 -285.828 -116.777 GPRESSURE: 3633000 -28.6173 5.56306 -272.033 123.846 -122.673 -228.796 -161.897 -222.481 -118.059 PRESSAVG: 3633000 37.6207 -15.9022 -33.8846 -15.9022 -25.3635 -35.6093 -33.8846 -35.6093 -17.6735 GPRESSAVG: 3633000 38.3731 -13.6633 -34.1819 -15.4011 -26.1576 -34.5871 -32.7316 -36.4543 -17.3041 TIMING: 3633000 CPU: 11649.1, 0.00398351/step Wall: 11649.1, 0.00398351/step, 1.51263 hours remaining, 235.234375 MB of memory in use. ENERGY: 3633000 4003.0350 20450.7378 14471.0457 247.7239 -203530.7445 2514.6220 0.0000 0.0000 52051.2966 -109792.2835 299.1395 -161843.5801 -109439.2381 298.7462 -116.8524 -89.7831 759137.8582 -1.8055 -1.6962 PRESSURE: 3633200 66.1574 -61.9407 133.06 -61.9411 37.3206 23.141 133.06 23.141 117.006 GPRESSURE: 3633200 50.4027 68.1569 63.7588 -176.411 72.3733 18.6753 42.6518 -12.7692 191.897 PRESSAVG: 3633200 23.0889 -14.0249 28.5955 -14.0248 2.88785 18.2624 28.5955 18.2624 32.5304 GPRESSAVG: 3633200 21.3365 -13.6846 29.6955 -15.7834 3.50927 18.2832 30.3874 19.0322 33.2128 TIMING: 3633200 CPU: 11649.9, 0.00401939/step Wall: 11649.9, 0.00401939/step, 1.52603 hours remaining, 235.234375 MB of memory in use. ENERGY: 3633200 3968.8440 20559.6771 14518.2138 253.8460 -203771.5399 2588.8029 0.0000 0.0000 52138.5664 -109743.5897 299.6411 -161882.1561 -109385.3694 299.4362 73.4948 104.8910 760265.9236 19.5024 19.3528 PRESSURE: 3633400 16.4078 -19.6877 327.126 -19.6881 -92.8572 -124.207 327.126 -124.208 383.33 GPRESSURE: 3633400 41.9311 -104.666 334.261 -26.8985 -37.1514 -175.798 101.942 -117.983 395.439 PRESSAVG: 3633400 1.95901 -51.9471 44.2512 -51.9472 -28.4723 1.55404 44.2511 1.55404 -10.8611 GPRESSAVG: 3633400 1.98852 -53.4388 43.3843 -50.1221 -26.6899 1.52447 39.6199 -0.716012 -12.3258 TIMING: 3633400 CPU: 11650.7, 0.0040158/step Wall: 11650.7, 0.0040158/step, 1.52444 hours remaining, 235.234375 MB of memory in use. ENERGY: 3633400 3974.2562 20552.0456 14512.7915 245.1953 -203875.2944 2693.0473 0.0000 0.0000 51896.7519 -110001.2066 298.2513 -161897.9585 -109634.3041 298.7844 102.2936 133.4063 761170.5703 -12.4581 -12.3424 PRESSURE: 3633600 -317.149 -12.3184 -113.715 -12.3182 160.245 142.929 -113.716 142.928 28.5898 GPRESSURE: 3633600 -205.562 -62.3708 -32.7996 -89.4875 161.903 159.227 -90.1339 206.572 5.51478 PRESSAVG: 3633600 51.912 -50.3805 32.0357 -50.3805 -41.3162 67.7113 32.0356 67.7113 6.4941 GPRESSAVG: 3633600 54.5689 -51.5359 32.3183 -50.5881 -43.866 66.4028 33.0936 69.6542 6.68134 TIMING: 3633600 CPU: 11651.5, 0.00401517/step Wall: 11651.5, 0.00401517/step, 1.52398 hours remaining, 235.234375 MB of memory in use. ENERGY: 3633600 3938.8955 20400.9045 14519.4260 238.2460 -203341.4832 2410.1823 0.0000 0.0000 51939.9837 -109893.8453 298.4998 -161833.8289 -109534.1476 298.7225 -42.7713 -12.7147 760041.9743 5.6966 5.7947 PRESSURE: 3633800 215.859 17.6685 23.9124 17.6691 47.4615 -6.40223 23.9123 -6.40154 128.997 GPRESSURE: 3633800 269.067 -2.08775 -68.0233 -28.3659 68.477 -65.6754 -27.2709 96.0872 142.535 PRESSAVG: 3633800 96.697 -28.5483 -30.5612 -28.5483 -106.428 15.5108 -30.5611 15.5108 -2.02775 GPRESSAVG: 3633800 94.265 -28.0159 -30.7639 -29.087 -104.069 16.7701 -30.5137 14.3711 -2.14085 TIMING: 3633800 CPU: 11652.3, 0.00401071/step Wall: 11652.3, 0.00401071/step, 1.52206 hours remaining, 235.234375 MB of memory in use. ENERGY: 3633800 3901.3342 20446.4558 14529.2142 217.9008 -203756.5942 2666.2674 0.0000 0.0000 51901.9304 -110093.4915 298.2811 -161995.4219 -109743.8710 298.2496 130.7726 160.0264 759665.2654 -3.9197 -3.9817 PRESSURE: 3634000 113.293 -16.5066 25.487 -16.5063 -268.797 -26.3628 25.4862 -26.3634 246.904 GPRESSURE: 3634000 189.964 -63.504 44.2652 -75.7624 -194.77 67.5192 -48.4209 49.3736 197.28 PRESSAVG: 3634000 13.9694 -70.7983 7.46882 -70.7983 -57.936 -2.62253 7.4689 -2.62251 -11.7238 GPRESSAVG: 3634000 15.5257 -70.8727 7.78918 -68.4389 -58.9998 -1.63708 8.57595 -3.18666 -11.7941 TIMING: 3634000 CPU: 11653.1, 0.00399485/step Wall: 11653.1, 0.00399485/step, 1.51582 hours remaining, 235.234375 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: 3634000 3951.4517 20611.8196 14473.4867 251.6621 -203747.9278 2524.3168 0.0000 0.0000 52015.6335 -109919.5574 298.9346 -161935.1909 -109554.3629 298.7371 30.4669 64.1580 761018.5341 -18.5635 -18.4227 PRESSURE: 3634200 145.078 77.4422 173.433 77.4417 114.702 -77.1666 173.433 -77.1665 322.307 GPRESSURE: 3634200 194.944 136.703 162.844 119.135 136.278 -102.261 148.869 -13.7918 320.042 PRESSAVG: 3634200 7.8609 16.6766 -48.7286 16.6766 -5.23631 40.6501 -48.7286 40.6501 20.9784 GPRESSAVG: 3634200 7.9501 17.8828 -49.5092 16.7351 -4.7646 38.1985 -48.3556 43.6865 20.7653 TIMING: 3634200 CPU: 11653.9, 0.00401877/step Wall: 11653.9, 0.00401877/step, 1.52468 hours remaining, 235.234375 MB of memory in use. ENERGY: 3634200 3968.4654 20597.3588 14433.5934 233.9617 -203438.3831 2328.6236 0.0000 0.0000 52061.1416 -109815.2387 299.1961 -161876.3802 -109456.2789 298.6355 194.0287 217.0880 759045.8937 7.8677 7.9836 PRESSURE: 3634400 -268.735 45.8245 -94.2003 45.8246 -455.323 79.7024 -94.2007 79.7018 -266.266 GPRESSURE: 3634400 -172.668 41.9152 -117.307 115.133 -408.674 68.8425 -16.0485 135.776 -331.269 PRESSAVG: 3634400 25.6858 16.4795 -10.4134 16.4794 9.61088 21.9994 -10.4134 21.9994 26.0634 GPRESSAVG: 3634400 24.9635 16.2632 -10.5265 15.0991 9.27938 22.8142 -10.0373 21.3053 26.6862 TIMING: 3634400 CPU: 11654.7, 0.00402254/step Wall: 11654.7, 0.00402254/step, 1.52588 hours remaining, 235.234375 MB of memory in use. ENERGY: 3634400 4018.9593 20548.9228 14454.4374 225.8043 -203573.0441 2299.6180 0.0000 0.0000 52221.9026 -109803.3996 300.1200 -162025.3022 -109438.3582 299.1775 -330.1080 -304.2036 760713.7857 20.4534 20.3097 PRESSURE: 3634600 263.212 -94.2723 -194.67 -94.2718 137.773 -213.044 -194.67 -213.044 398.73 GPRESSURE: 3634600 259.392 -66.9429 -213.13 -207.777 244.158 -178.677 -153.323 -253.997 405.082 PRESSAVG: 3634600 -24.7944 -43.1013 33.8062 -43.1013 -30.9558 -36.3466 33.8062 -36.3466 0.744711 GPRESSAVG: 3634600 -24.5413 -43.2232 33.2958 -44.6738 -30.6821 -36.1719 33.5437 -36.8196 0.145089 TIMING: 3634600 CPU: 11655.5, 0.00398791/step Wall: 11655.5, 0.00398791/step, 1.51253 hours remaining, 235.234375 MB of memory in use. ENERGY: 3634600 3847.3872 20558.8459 14447.0050 246.1787 -203802.7676 2852.8550 0.0000 0.0000 52005.7743 -109844.7216 298.8779 -161850.4959 -109482.8759 298.4420 266.5719 302.8772 760443.8576 -18.3352 -18.3594 PRESSURE: 3634800 35.47 -103.48 -14.9523 -103.48 97.6852 -15.9021 -14.9532 -15.902 -146.404 GPRESSURE: 3634800 161.766 -181.343 92.412 -89.7029 68.46 -60.6192 -89.0678 88.4838 -146.789 PRESSAVG: 3634800 -30.9699 -22.7376 4.23038 -22.7375 -5.21523 -24.0823 4.23041 -24.0823 8.56881 GPRESSAVG: 3634800 -31.5974 -24.3677 4.56953 -21.8394 -6.00785 -23.1994 3.19264 -23.1393 9.75794 TIMING: 3634800 CPU: 11656.3, 0.00399788/step Wall: 11656.3, 0.00399788/step, 1.51609 hours remaining, 235.234375 MB of memory in use. ENERGY: 3634800 3961.3279 20487.3278 14389.8527 265.3496 -202683.4779 2104.1192 0.0000 0.0000 51808.4419 -109667.0588 297.7438 -161475.5006 -109315.8049 298.7475 -4.4164 27.8124 760387.0291 -9.2054 -9.2824 PRESSURE: 3635000 345.2 -389.618 86.8741 -389.617 90.9176 -55.0181 86.8737 -55.0175 43.3522 GPRESSURE: 3635000 364.667 -459.992 187.731 -237.977 143.911 -25.8749 -37.2817 -93.8847 32.5564 PRESSAVG: 3635000 44.4543 -88.6827 -3.82072 -88.6827 -12.9294 1.64747 -3.82073 1.64743 -7.07278 GPRESSAVG: 3635000 45.7989 -87.3834 -4.00835 -90.4478 -11.9523 1.55075 -3.95127 0.965922 -9.30479 TIMING: 3635000 CPU: 11657.1, 0.0040167/step Wall: 11657.1, 0.0040167/step, 1.523 hours remaining, 235.234375 MB of memory in use. ENERGY: 3635000 4017.6992 20380.6208 14554.3845 241.3602 -202848.2878 2247.9177 0.0000 0.0000 51853.1593 -109553.1462 298.0008 -161406.3055 -109200.5347 298.7402 159.8231 180.3781 760231.6821 8.1507 8.1806 PRESSURE: 3635200 35.1277 10.3628 50.9703 10.3628 -234.805 28.968 50.9707 28.9679 2.6893 GPRESSURE: 3635200 55.3908 -69.7749 -38.6271 -35.6002 -213.965 -71.3441 135.79 147.129 46.727 PRESSAVG: 3635200 27.9969 -62.4803 29.8463 -62.4803 -3.99695 -42.822 29.8463 -42.8219 -3.23963 GPRESSAVG: 3635200 27.9068 -63.9624 28.8027 -61.4506 -5.7872 -43.1074 30.5508 -43.4374 -1.11933 TIMING: 3635200 CPU: 11657.9, 0.00402762/step Wall: 11657.9, 0.00402762/step, 1.52692 hours remaining, 235.234375 MB of memory in use. ENERGY: 3635200 3955.6552 20602.8359 14501.5112 238.8346 -203256.5174 2411.2694 0.0000 0.0000 51944.2214 -109602.1898 298.5242 -161546.4111 -109241.9396 298.9601 -65.6625 -37.2824 760906.6307 6.9201 7.0001 PRESSURE: 3635400 -362.408 42.1606 77.6917 42.1602 26.1326 65.6534 77.6924 65.653 391.14 GPRESSURE: 3635400 -218.009 132.603 15.5327 37.7118 25.9834 109.577 101.81 132.793 342.803 PRESSAVG: 3635400 13.3583 -47.1656 3.86551 -47.1656 45.8554 -11.1833 3.86552 -11.1833 -9.98058 GPRESSAVG: 3635400 14.6875 -46.443 5.61967 -45.9277 46.1911 -11.5031 3.39385 -8.34631 -11.4149 TIMING: 3635400 CPU: 11658.7, 0.0040151/step Wall: 11658.7, 0.0040151/step, 1.52195 hours remaining, 235.234375 MB of memory in use. ENERGY: 3635400 3983.2566 20507.8383 14475.2300 255.8177 -203158.2004 2477.2826 0.0000 0.0000 51868.1046 -109590.6706 298.0867 -161458.7752 -109236.8173 299.5454 18.2883 50.2589 761238.5487 16.4110 16.4879 PRESSURE: 3635600 36.1656 -192.465 227.149 -192.464 -20.8281 73.6573 227.149 73.6569 -75.7263 GPRESSURE: 3635600 141.767 -217.851 234.468 -147.152 31.9311 140.941 198.755 -103.998 -146.346 PRESSAVG: 3635600 3.45841 -26.8112 23.3756 -26.8112 -24.7534 14.0101 23.3756 14.0101 -0.106287 GPRESSAVG: 3635600 3.02717 -25.0145 23.1719 -29.7085 -24.1123 14.6228 23.9585 10.8954 -0.674467 TIMING: 3635600 CPU: 11659.5, 0.00403044/step Wall: 11659.5, 0.00403044/step, 1.52754 hours remaining, 235.234375 MB of memory in use. ENERGY: 3635600 4021.8471 20619.2693 14461.5616 238.1118 -202955.4959 2231.3354 0.0000 0.0000 52034.4233 -109348.9475 299.0425 -161383.3708 -108986.3966 299.1512 -20.1296 9.1174 760595.4261 -7.1338 -7.2532 PRESSURE: 3635800 -11.5871 -156.135 94.954 -156.134 98.4173 -37.9128 94.9539 -37.912 -84.082 GPRESSURE: 3635800 119.867 -12.031 83.9965 -186.556 1.11687 -122.913 112.599 36.0051 -43.4519 PRESSAVG: 3635800 -6.99613 -39.2377 -16.7381 -39.2377 18.0258 -53.5992 -16.7381 -53.5993 -0.65948 GPRESSAVG: 3635800 -7.33861 -41.1433 -17.3211 -36.9132 17.5534 -55.3829 -17.5864 -51.9325 0.528173 TIMING: 3635800 CPU: 11660.3, 0.00401051/step Wall: 11660.3, 0.00401051/step, 1.51976 hours remaining, 235.234375 MB of memory in use. ENERGY: 3635800 4009.6657 20550.2103 14418.7896 264.9916 -203148.9521 2465.5506 0.0000 0.0000 52238.7558 -109200.9885 300.2168 -161439.7443 -108839.2378 299.9686 0.9161 25.8439 761097.3153 3.4567 3.5810 PRESSURE: 3636000 373.348 -25.455 -50.132 -25.4547 -189.551 38.1652 -50.1324 38.1635 277.585 GPRESSURE: 3636000 287.683 65.8016 43.0383 8.65397 -59.4817 72.1886 -114.191 88.1465 333.624 PRESSAVG: 3636000 30.4914 26.5985 28.7797 26.5985 -7.42685 -30.7268 28.7797 -30.7268 16.4164 GPRESSAVG: 3636000 29.8943 28.7143 29.4863 25.6584 -5.73482 -28.9513 29.5151 -32.3753 15.686 TIMING: 3636000 CPU: 11661.1, 0.0040349/step Wall: 11661.1, 0.0040349/step, 1.52878 hours remaining, 235.234375 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: 3636000 3920.7764 20573.5823 14348.7885 253.5978 -203279.4180 2615.9975 0.0000 0.0000 52419.1850 -109147.4904 301.2538 -161566.6754 -108773.4808 300.1675 153.7941 187.2750 762172.6975 13.1603 13.2818 PRESSURE: 3636200 50.14 -9.55141 69.7771 -9.55114 -488.423 -171.603 69.7769 -171.602 55.5929 GPRESSURE: 3636200 115.565 103.565 -56.5621 -9.48003 -463.714 -251.65 70.8773 -241.803 50.8821 PRESSAVG: 3636200 -12.7021 -30 -14.911 -30 -40.2235 -5.09894 -14.9111 -5.09893 1.53875 GPRESSAVG: 3636200 -12.5189 -33.2298 -14.0911 -29.242 -40.6529 -7.26238 -13.0957 -2.72533 1.95269 TIMING: 3636200 CPU: 11661.9, 0.0039997/step Wall: 11661.9, 0.0039997/step, 1.51522 hours remaining, 235.234375 MB of memory in use. ENERGY: 3636200 3936.6823 20455.0668 14407.9757 263.5738 -203187.3076 2544.2965 0.0000 0.0000 52247.7021 -109332.0106 300.2683 -161579.7127 -108972.4723 299.7066 -127.5635 -99.0888 762281.0968 -17.1290 -17.0730 LDB: ============= START OF LOAD BALANCING ============== 11674.4 LDB: ============== END OF LOAD BALANCING =============== 11674.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11674.4 LDB: ============= START OF LOAD BALANCING ============== 11674.8 LDB: Largest compute 7069 load 0.032786 is 16.3% of average load 0.201263 LDB: Average compute 0.004513 is 2.2% of average load 0.201263 LDB: TIME 11674.8 LOAD: AVG 0.201263 MAX 0.242543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.047 MB LDB: TIME 11674.8 LOAD: AVG 0.201263 MAX 0.242543 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 11674.8 LOAD: AVG 0.201263 MAX 0.22438 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 11674.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11674.8 Info: useSync: 0 useProxySync: 0 PRESSURE: 3636400 -291.591 167.407 320.815 167.408 -492.502 -227.095 320.815 -227.095 -254.209 GPRESSURE: 3636400 -214.781 89.3693 233.601 204.72 -489.675 -203.178 263.212 -71.7521 -256.11 PRESSAVG: 3636400 -8.40529 -19.4959 -1.08009 -19.4959 22.7632 0.625574 -1.0801 0.62564 -14.5771 GPRESSAVG: 3636400 -7.98391 -17.6435 -3.06318 -19.7318 22.9886 2.6244 -2.84183 -0.220752 -15.2737 TIMING: 3636400 CPU: 11662.7, 0.00407031/step Wall: 11662.7, 0.00407031/step, 1.54174 hours remaining, 235.156250 MB of memory in use. ENERGY: 3636400 3996.3233 20608.8172 14480.4800 267.9638 -202844.1767 2201.0530 0.0000 0.0000 52043.8641 -109245.6752 299.0968 -161289.5393 -108882.5229 299.2032 -346.1006 -320.1884 761402.9550 -0.0731 -0.0897 PRESSURE: 3636600 51.6429 55.4061 16.7154 55.4059 220.38 -78.7139 16.7157 -78.7135 -115.643 GPRESSURE: 3636600 95.9053 1.83003 -119.958 8.0769 164.141 -53.5708 121.271 -85.2556 -31.1636 PRESSAVG: 3636600 23.0694 -50.079 33.0755 -50.0791 -39.1257 7.52191 33.0754 7.52182 -19.2522 GPRESSAVG: 3636600 21.3674 -50.5914 33.5907 -49.9315 -38.5397 6.46708 34.6888 7.38671 -18.2994 TIMING: 3636600 CPU: 11663.5, 0.00399635/step Wall: 11663.5, 0.00399635/step, 1.51351 hours remaining, 235.226562 MB of memory in use. ENERGY: 3636600 4030.3696 20604.8005 14426.4119 250.3353 -203469.7257 2706.1763 0.0000 0.0000 52197.6746 -109253.9576 299.9808 -161451.6322 -108891.5297 299.1857 52.1265 76.2942 760721.7119 -11.7695 -11.8239 PRESSURE: 3636800 -97.3863 -147.972 -5.41438 -147.972 -275.947 -42.3645 -5.41484 -42.3636 431.882 GPRESSURE: 3636800 -104.24 -145.295 21.1149 -258.258 -185.421 -111.107 -62.4925 -151.531 434.36 PRESSAVG: 3636800 17.2038 -43.5236 0.537083 -43.5237 25.4538 -29.6504 0.537083 -29.6504 -11.181 GPRESSAVG: 3636800 18.022 -43.2581 1.57593 -42.6158 25.1915 -28.8673 -2.11333 -31.882 -12.1036 TIMING: 3636800 CPU: 11664.3, 0.00400537/step Wall: 11664.3, 0.00400537/step, 1.5167 hours remaining, 235.226562 MB of memory in use. ENERGY: 3636800 4020.6212 20542.9253 14484.1774 253.9115 -203194.7490 2452.3460 0.0000 0.0000 52037.1698 -109403.5979 299.0583 -161440.7677 -109054.4165 299.0331 19.5162 48.2329 759983.2597 10.4922 10.3700 PRESSURE: 3637000 -85.2072 -82.1481 158.001 -82.1491 -218.755 174.538 158.002 174.538 113.712 GPRESSURE: 3637000 -40.0729 -41.5639 136.955 -85.2458 -195.165 160.138 342.638 225.38 121.843 PRESSAVG: 3637000 45.7328 -41.024 8.28363 -41.024 -13.1082 27.3974 8.2836 27.3974 13.3574 GPRESSAVG: 3637000 45.8466 -42.6609 7.74889 -42.2183 -13.5206 28.2426 10.408 30.0651 13.6149 TIMING: 3637000 CPU: 11665.2, 0.00402728/step Wall: 11665.2, 0.00402728/step, 1.52477 hours remaining, 235.226562 MB of memory in use. ENERGY: 3637000 4011.4375 20575.2086 14500.1079 244.8196 -203093.4684 2271.4345 0.0000 0.0000 52242.2068 -109248.2534 300.2367 -161490.4602 -108891.9821 299.3165 -63.4170 -37.7981 761054.0662 15.3273 15.3136 PRESSURE: 3637200 -419.351 13.9361 181.86 13.9361 -80.8371 99.7245 181.86 99.7249 -189.257 GPRESSURE: 3637200 -354.977 -130.105 121.885 33.5509 -65.7757 17.8432 92.5598 101.749 -183.682 PRESSAVG: 3637200 54.6104 -74.306 10.1982 -74.306 -18.5745 33.0246 10.1981 33.0246 -21.9989 GPRESSAVG: 3637200 54.6418 -72.2216 11.1207 -73.1289 -18.6254 32.6063 7.9757 32.244 -21.844 TIMING: 3637200 CPU: 11666, 0.00400737/step Wall: 11666, 0.00400737/step, 1.51701 hours remaining, 235.226562 MB of memory in use. ENERGY: 3637200 4034.2809 20462.4154 14492.2980 250.6000 -203152.9529 2297.4136 0.0000 0.0000 52175.2980 -109440.6470 299.8522 -161615.9450 -109075.0086 299.3811 -229.8149 -201.4783 760988.9845 4.6790 4.7241 PRESSURE: 3637400 -85.9586 168.677 14.7071 168.678 -237.245 209.089 14.7068 209.088 59.1551 GPRESSURE: 3637400 -2.94269 146.097 19.4 44.7065 -192.56 180.771 46.0861 233.701 35.2479 PRESSAVG: 3637400 50.0896 8.52856 21.0161 8.52855 -62.3903 37.7072 21.0161 37.7073 3.27248 GPRESSAVG: 3637400 51.0165 8.79984 18.9172 7.75834 -62.2384 36.1919 22.3185 39.5696 2.04144 TIMING: 3637400 CPU: 11666.8, 0.00400238/step Wall: 11666.8, 0.00400238/step, 1.5149 hours remaining, 235.226562 MB of memory in use. ENERGY: 3637400 3997.0415 20371.0384 14496.5455 235.9048 -203311.5434 2581.1339 0.0000 0.0000 51935.7776 -109694.1016 298.4756 -161629.8792 -109336.7369 299.0564 -88.0163 -53.4181 762240.0325 -3.0094 -3.0601 PRESSURE: 3637600 -34.1236 -141.88 87.0879 -141.88 71.1067 37.4497 87.0887 37.4498 32.7784 GPRESSURE: 3637600 6.63573 -102.712 71.4868 -147.441 95.5919 39.4454 31.5559 -55.31 47.5062 PRESSAVG: 3637600 -0.711757 -23.7043 57.4785 -23.7043 7.27605 86.6055 57.4785 86.6055 1.78913 GPRESSAVG: 3637600 -1.98146 -24.4532 58.7509 -24.1847 7.57305 88.0527 56.6149 83.8 2.6105 TIMING: 3637600 CPU: 11667.6, 0.00400621/step Wall: 11667.6, 0.00400621/step, 1.51613 hours remaining, 235.226562 MB of memory in use. ENERGY: 3637600 3952.3620 20471.2256 14460.4806 252.2648 -203370.4595 2633.2197 0.0000 0.0000 51829.7945 -109771.1123 297.8665 -161600.9068 -109406.8874 298.6370 23.2538 49.9113 760603.6202 2.7845 2.7340 PRESSURE: 3637800 220.52 102.116 16.6982 102.115 -296.717 -86.9727 16.6985 -86.974 90.5127 GPRESSURE: 3637800 169.625 130.38 -6.97975 157.008 -202.09 -30.5122 84.6785 -8.30775 120.59 PRESSAVG: 3637800 59.2762 -49.1224 0.0379885 -49.1224 -49.5129 -17.8832 0.037968 -17.8831 -11.4803 GPRESSAVG: 3637800 60.1766 -47.4915 0.250386 -47.9726 -49.1297 -18.8095 0.289138 -13.8805 -12.4021 TIMING: 3637800 CPU: 11668.4, 0.00400853/step Wall: 11668.4, 0.00400853/step, 1.51678 hours remaining, 235.226562 MB of memory in use. ENERGY: 3637800 3970.6118 20450.4953 14470.7075 236.7066 -203326.7323 2553.2167 0.0000 0.0000 51980.1999 -109664.7946 298.7309 -161644.9945 -109300.4864 298.1883 4.7720 29.3750 761810.3799 -0.5724 -0.4517 PRESSURE: 3638000 -137.59 -101.739 42.5146 -101.738 409.694 201.343 42.5146 201.343 56.1253 GPRESSURE: 3638000 -42.3514 -239.398 84.7937 -186.748 420.988 183.344 107.188 189.736 39.243 PRESSAVG: 3638000 2.26494 -31.6306 -12.7192 -31.6306 -5.75724 12.2911 -12.7192 12.2911 21.848 GPRESSAVG: 3638000 2.68056 -32.9587 -15.3316 -32.359 -6.7499 12.6776 -10.4384 10.042 22.5342 TIMING: 3638000 CPU: 11669.2, 0.00403072/step Wall: 11669.2, 0.00403072/step, 1.52496 hours remaining, 235.226562 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: 3638000 3960.7780 20508.5638 14508.7570 275.4556 -203235.8972 2682.3703 0.0000 0.0000 51750.4820 -109549.4905 297.4107 -161299.9725 -109184.6694 298.1047 109.4096 139.2932 761459.1156 6.1186 6.1549 PRESSURE: 3638200 301.723 -84.4552 40.3301 -84.4541 -179.202 33.7254 40.3297 33.7253 24.5743 GPRESSURE: 3638200 309.011 -90.8681 1.62853 -54.7236 -97.7994 16.153 -62.5512 -62.9505 1.36111 PRESSAVG: 3638200 24.9223 -46.1726 41.3378 -46.1726 -13.746 10.0562 41.3378 10.0563 6.59393 GPRESSAVG: 3638200 23.1156 -46.1996 43.8153 -45.1277 -12.8858 8.20364 38.5709 9.61623 7.00115 TIMING: 3638200 CPU: 11670, 0.00399249/step Wall: 11670, 0.00399249/step, 1.51027 hours remaining, 235.226562 MB of memory in use. ENERGY: 3638200 3970.9561 20499.4775 14453.6062 266.8970 -203226.7098 2599.2279 0.0000 0.0000 51838.9888 -109597.5563 297.9194 -161436.5451 -109239.3329 298.7911 49.0318 70.8576 760254.6832 5.9234 5.7437 PRESSURE: 3638400 -408.804 -101.007 127.455 -101.008 -40.6084 26.7187 127.455 26.7204 58.1741 GPRESSURE: 3638400 -254.948 -72.5073 151.713 -52.8106 -197.518 57.7013 169.662 46.7872 149.47 PRESSAVG: 3638400 21.4087 -39.3845 26.4027 -39.3844 -49.6439 26.3365 26.4027 26.3365 12.2582 GPRESSAVG: 3638400 20.6323 -40.0711 24.9478 -40.0956 -50.2546 27.538 27.1805 28.6026 13.3811 TIMING: 3638400 CPU: 11670.8, 0.00398976/step Wall: 11670.8, 0.00398976/step, 1.50902 hours remaining, 235.226562 MB of memory in use. ENERGY: 3638400 4001.3833 20362.6968 14432.8516 236.4822 -203138.7067 2406.6288 0.0000 0.0000 52166.5658 -109532.0981 299.8020 -161698.6640 -109173.5482 298.7857 -130.4128 -100.9987 760495.1663 -5.3257 -5.4138 PRESSURE: 3638600 68.1604 -271.113 191.02 -271.113 -49.7228 22.6348 191.02 22.634 109.191 GPRESSURE: 3638600 157.629 -224.817 240.846 -225.113 -13.0141 20.071 149.006 -77.0253 83.3417 PRESSAVG: 3638600 24.2876 -17.1654 30.599 -17.1654 -49.9278 34.0969 30.5991 34.0969 1.04603 GPRESSAVG: 3638600 25.7709 -15.5329 29.95 -17.0463 -50.9989 34.2504 32.1411 34.3127 0.387781 TIMING: 3638600 CPU: 11671.6, 0.00397333/step Wall: 11671.6, 0.00397333/step, 1.50258 hours remaining, 235.226562 MB of memory in use. ENERGY: 3638600 3947.0481 20364.8201 14448.8543 264.4174 -202944.2567 2557.5948 0.0000 0.0000 52043.8716 -109317.6503 299.0968 -161361.5219 -108960.3760 299.0871 42.5430 75.9854 761537.1820 -8.1981 -8.2801 PRESSURE: 3638800 87.0762 -80.1871 -164.499 -80.1878 -26.0292 67.719 -164.498 67.7196 87.1608 GPRESSURE: 3638800 144.332 -98.7664 -144.928 -74.6952 -78.5038 64.5745 -30.9873 16.1661 165.529 PRESSAVG: 3638800 63.1816 -58.722 2.77038 -58.722 -63.7278 36.2281 2.7703 36.228 18.5622 GPRESSAVG: 3638800 61.8711 -59.0617 6.1259 -60.2512 -61.4743 35.514 0.0532516 34.3186 17.9976 TIMING: 3638800 CPU: 11672.3, 0.00398582/step Wall: 11672.3, 0.00398581/step, 1.50708 hours remaining, 235.226562 MB of memory in use. ENERGY: 3638800 4024.8754 20428.7716 14402.5063 243.3911 -202972.2185 2426.1527 0.0000 0.0000 52068.5701 -109377.9513 299.2388 -161446.5214 -109011.8008 299.1399 49.4026 77.1193 762044.7183 6.0053 6.1314 PRESSURE: 3639000 61.2534 46.9523 -0.21167 46.9525 -55.5378 -46.0604 -0.211833 -46.0614 -13.3602 GPRESSURE: 3639000 128.435 103.258 -28.8241 33.1628 13.2071 -135.89 4.85544 13.0705 -52.1341 PRESSAVG: 3639000 66.7974 -65.7538 6.35087 -65.7539 -54.8777 52.098 6.35084 52.098 -9.50137 GPRESSAVG: 3639000 66.8695 -63.9356 4.94629 -65.5892 -56.5718 54.045 7.49231 52.0168 -8.79152 TIMING: 3639000 CPU: 11673.2, 0.00401332/step Wall: 11673.2, 0.00401332/step, 1.51726 hours remaining, 235.226562 MB of memory in use. ENERGY: 3639000 3932.7493 20533.8932 14450.6098 231.2424 -202926.0738 2207.0352 0.0000 0.0000 51959.5019 -109611.0421 298.6120 -161570.5440 -109239.8927 298.8539 -2.5482 29.8358 762000.0468 0.8061 0.5021 PRESSURE: 3639200 356.8 16.6062 -203.589 16.6066 84.997 -149.575 -203.589 -149.575 -273.24 GPRESSURE: 3639200 373.703 -11.883 -192.76 101.934 88.2637 -211.703 -150.848 -94.5142 -200.776 PRESSAVG: 3639200 77.9821 -65.7431 -39.6337 -65.743 -52.3271 -31.5948 -39.6338 -31.5948 -17.9887 GPRESSAVG: 3639200 78.0043 -66.9617 -40.7836 -62.5315 -52.0516 -33.1638 -38.4579 -29.2576 -18.6359 TIMING: 3639200 CPU: 11674, 0.00400428/step Wall: 11674, 0.00400428/step, 1.51362 hours remaining, 235.226562 MB of memory in use. ENERGY: 3639200 3937.3801 20482.2761 14472.9962 248.1149 -203192.7108 2447.8236 0.0000 0.0000 52112.1394 -109491.9804 299.4892 -161604.1199 -109132.3927 298.8470 56.1856 87.0636 759844.5820 2.5554 2.4389 PRESSURE: 3639400 -215.068 -28.1545 57.5811 -28.1549 -325.312 148.157 57.581 148.156 -642.324 GPRESSURE: 3639400 -117.031 -65.8383 12.4827 -72.1793 -388.659 127.538 36.0782 96.1587 -590.318 PRESSAVG: 3639400 92.7381 -50.2751 -0.240558 -50.2751 -96.2903 37.5647 -0.240581 37.5647 14.8695 GPRESSAVG: 3639400 93.5936 -52.1282 -0.435496 -49.1846 -97.2365 39.4238 -1.21343 35.709 14.0558 TIMING: 3639400 CPU: 11674.8, 0.00402656/step Wall: 11674.8, 0.00402656/step, 1.52182 hours remaining, 235.226562 MB of memory in use. ENERGY: 3639400 3940.8476 20447.4925 14420.7462 225.8601 -202792.4924 1998.4961 0.0000 0.0000 52015.6010 -109743.4489 298.9344 -161759.0499 -109384.0742 298.6344 -394.2347 -365.3358 760792.0892 3.7724 3.4709 PRESSURE: 3639600 -2.17632 -70.6969 -0.146042 -70.6968 144.402 -228.157 -0.146676 -228.157 -102.276 GPRESSURE: 3639600 68.3236 -24.2215 -48.1408 -45.489 183.454 -341.643 -39.593 -28.3814 -121.118 PRESSAVG: 3639600 39.44 -4.34652 34.7849 -4.34656 -15.677 14.043 34.7849 14.0431 -5.99116 GPRESSAVG: 3639600 39.763 -3.19208 35.9807 -6.97389 -15.0463 12.3075 33.6536 16.8638 -7.12285 TIMING: 3639600 CPU: 11675.6, 0.00402859/step Wall: 11675.6, 0.00402859/step, 1.52236 hours remaining, 235.226562 MB of memory in use. ENERGY: 3639600 3955.5970 20535.4945 14476.7086 236.0429 -203326.8702 2424.2367 0.0000 0.0000 51843.6562 -109855.1343 297.9462 -161698.7906 -109501.3973 298.2246 13.3167 43.5530 758716.2827 5.9240 5.8646 PRESSURE: 3639800 -85.3604 115.622 42.7642 115.622 -73.731 -250.327 42.7646 -250.327 -118.604 GPRESSURE: 3639800 -39.6738 68.7406 -36.2996 -45.5943 -4.89841 -109.98 35.0894 -345.196 -143.418 PRESSAVG: 3639800 14.4829 -18.6575 -4.71299 -18.6576 -35.2115 -39.54 -4.71296 -39.54 9.49124 GPRESSAVG: 3639800 12.2197 -19.6679 -2.65463 -16.4685 -33.8379 -38.3139 -2.41437 -43.2439 10.2587 TIMING: 3639800 CPU: 11676.4, 0.00404915/step Wall: 11676.4, 0.00404915/step, 1.5299 hours remaining, 235.226562 MB of memory in use. ENERGY: 3639800 4032.5339 20532.4022 14423.6941 243.0246 -203276.0187 2466.6166 0.0000 0.0000 51687.6980 -109890.0492 297.0499 -161577.7472 -109528.3686 297.8027 -92.5650 -62.6633 761689.9841 -3.7458 -3.7865 PRESSURE: 3640000 455.572 -101.285 28.6689 -101.285 -66.7854 -186.728 28.6698 -186.729 59.3535 GPRESSURE: 3640000 525.438 -180.67 11.9063 -107.613 -45.2877 -74.5462 159.541 -155.898 55.4889 PRESSAVG: 3640000 46.6187 -46.7023 -2.01359 -46.7022 -25.731 -10.9889 -2.01353 -10.9889 11.0792 GPRESSAVG: 3640000 47.9946 -46.6931 -4.72704 -48.2545 -26.8123 -10.4677 -2.68501 -10.0582 11.4186 TIMING: 3640000 CPU: 11677.2, 0.00401892/step Wall: 11677.2, 0.00401892/step, 1.51826 hours remaining, 235.226562 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: 3640000 3980.4223 20604.8492 14493.8627 251.3554 -203607.8304 2739.1692 0.0000 0.0000 51939.7641 -109598.4076 298.4985 -161538.1717 -109249.4914 298.0957 149.3802 178.5465 760515.1007 10.6556 10.8670 PRESSURE: 3640200 -234.91 -73.1767 442.927 -73.1774 -312.207 129.728 442.927 129.727 -19.0802 GPRESSURE: 3640200 -159.594 -73.3053 437.68 -60.1314 -307.766 101.112 235.67 170.192 8.17605 PRESSAVG: 3640200 90.5664 -33.5357 -45.7662 -33.5357 -70.5983 -10.8858 -45.7662 -10.8858 -15.7094 GPRESSAVG: 3640200 90.4395 -33.2002 -43.773 -32.0933 -70.7508 -12.0667 -47.2078 -12.2237 -15.3983 TIMING: 3640200 CPU: 11678, 0.00403597/step Wall: 11678, 0.00403597/step, 1.52448 hours remaining, 235.226562 MB of memory in use. ENERGY: 3640200 4057.5990 20468.8761 14521.1441 268.6734 -203165.4490 2330.1649 0.0000 0.0000 51994.1434 -109524.8482 298.8111 -161518.9916 -109170.5695 298.7669 -188.7324 -153.0614 760585.9367 1.4196 1.4301 LDB: ============= START OF LOAD BALANCING ============== 11690.5 LDB: ============== END OF LOAD BALANCING =============== 11690.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11690.5 LDB: ============= START OF LOAD BALANCING ============== 11690.9 LDB: Largest compute 7025 load 0.032069 is 16.6% of average load 0.193253 LDB: Average compute 0.004482 is 2.3% of average load 0.193253 LDB: TIME 11690.9 LOAD: AVG 0.193253 MAX 0.22248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.223 MB LDB: TIME 11690.9 LOAD: AVG 0.193253 MAX 0.22248 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.227 MB LDB: TIME 11690.9 LOAD: AVG 0.193253 MAX 0.215348 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.227 MB LDB: ============== END OF LOAD BALANCING =============== 11690.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11690.9 PRESSURE: 3640400 -94.2303 193.263 -15.4831 193.263 17.1332 370.552 -15.4826 370.551 -391.782 GPRESSURE: 3640400 -6.72685 195.127 44.4827 105.046 -6.15159 456.611 -18.8287 141.385 -372.161 PRESSAVG: 3640400 25.9487 -39.7156 17.0238 -39.7155 -58.2468 0.0830132 17.0237 0.0829647 11.9365 GPRESSAVG: 3640400 26.4217 -39.2819 14.9602 -43.9322 -57.8606 0.802088 20.0273 2.078 11.6253 TIMING: 3640400 CPU: 11678.8, 0.00410867/step Wall: 11678.8, 0.00410867/step, 1.55171 hours remaining, 233.167969 MB of memory in use. ENERGY: 3640400 4026.3453 20654.8328 14410.6692 270.8169 -203152.3160 2276.5379 0.0000 0.0000 51909.1362 -109603.9777 298.3225 -161513.1139 -109240.2310 299.2297 -156.2929 -128.3466 760428.3167 -6.7872 -6.6045 PRESSURE: 3640600 -9.26818 -27.1591 -84.4199 -27.1596 -298.931 -25.9354 -84.4197 -25.9362 146.734 GPRESSURE: 3640600 3.17654 -102.731 -198.091 151.054 -247.986 11.9887 -58.0915 -40.4565 188.009 PRESSAVG: 3640600 106.162 -42.9499 19.3236 -42.9499 -49.5158 4.62265 19.3236 4.62263 -11.1496 GPRESSAVG: 3640600 106.051 -42.6941 18.6475 -39.2932 -49.7968 1.74595 16.6131 4.81372 -10.6843 TIMING: 3640600 CPU: 11679.6, 0.00404784/step Wall: 11679.6, 0.00404784/step, 1.52851 hours remaining, 233.628906 MB of memory in use. ENERGY: 3640600 3992.6041 20488.3826 14493.2971 258.7460 -203718.4957 2763.3715 0.0000 0.0000 52075.5216 -109646.5730 299.2787 -161722.0945 -109285.2966 298.8311 -53.8215 -18.9335 759607.8544 15.1654 15.1900 PRESSURE: 3640800 -265.543 -13.9867 -243.608 -13.9867 102.013 -169.506 -243.608 -169.505 273.411 GPRESSURE: 3640800 -212.286 5.63927 -240.903 -60.3645 138.769 -204.711 -244.479 -233.12 274.197 PRESSAVG: 3640800 65.6766 -35.1755 -11.5165 -35.1755 -43.1282 -33.3267 -11.5165 -33.3267 10.0884 GPRESSAVG: 3640800 65.4807 -37.5601 -9.80859 -35.4522 -43.6232 -30.2881 -11.8563 -34.1467 10.6417 TIMING: 3640800 CPU: 11680.4, 0.00403011/step Wall: 11680.4, 0.00403011/step, 1.52159 hours remaining, 233.628906 MB of memory in use. ENERGY: 3640800 3990.0153 20315.2134 14450.2212 259.1845 -203718.1250 2807.0575 0.0000 0.0000 51897.0697 -109999.3635 298.2532 -161896.4332 -109640.1270 298.3311 36.6272 66.8933 761739.9849 10.8789 10.8331 PRESSURE: 3641000 -264.709 67.3601 187.439 67.3608 -264.487 252.383 187.437 252.382 79.0613 GPRESSURE: 3641000 -284.802 143.373 174.79 6.1635 -150.672 326.453 235.647 261.566 84.0253 PRESSAVG: 3641000 -1.36917 -70.6469 12.7055 -70.6469 -28.6379 -35.3209 12.7054 -35.321 -18.2504 GPRESSAVG: 3641000 -2.45001 -69.6173 10.5348 -70.8762 -26.6141 -36.6082 14.8807 -35.389 -19.5606 TIMING: 3641000 CPU: 11681.2, 0.00404737/step Wall: 11681.2, 0.00404737/step, 1.52788 hours remaining, 233.628906 MB of memory in use. ENERGY: 3641000 3959.5078 20471.5290 14443.1318 260.0711 -202950.4853 2241.4127 0.0000 0.0000 51644.1707 -109930.6622 296.7998 -161574.8329 -109578.8261 297.7867 -150.0447 -117.1494 762760.4737 -16.0858 -16.2082 PRESSURE: 3641200 36.5847 -20.7534 -145.879 -20.7529 210.198 -126.669 -145.88 -126.67 391.56 GPRESSURE: 3641200 69.3563 29.0796 -130.579 -15.8532 158.553 -108.601 -113.526 -246.888 498.217 PRESSAVG: 3641200 43.4655 -25.7969 -2.58799 -25.7969 -47.6393 -2.42832 -2.588 -2.42845 -10.8324 GPRESSAVG: 3641200 43.7888 -26.5401 -1.59276 -24.7746 -49.4095 -3.25788 -3.47948 -1.09294 -9.07128 TIMING: 3641200 CPU: 11682, 0.00401665/step Wall: 11682, 0.00401665/step, 1.51606 hours remaining, 233.628906 MB of memory in use. ENERGY: 3641200 3883.2154 20436.8098 14463.7953 267.9775 -203468.4101 2474.7729 0.0000 0.0000 52165.8546 -109775.9845 299.7979 -161941.8391 -109409.6635 298.3001 212.7808 242.0422 761650.2689 -5.0021 -4.8973 PRESSURE: 3641400 -239.169 -44.0005 -85.6639 -44.0001 73.6355 -159.483 -85.6643 -159.482 120.74 GPRESSURE: 3641400 -99.1263 -30.8603 -61.2147 -83.2699 11.9297 -95.9414 -9.93386 -80.8153 120.006 PRESSAVG: 3641400 -3.66621 -53.9454 -11.6096 -53.9454 19.8487 0.896705 -11.6095 0.896724 13.1928 GPRESSAVG: 3641400 -3.52401 -55.5435 -9.42507 -54.2391 20.1835 1.78526 -12.5207 0.44172 12.7219 TIMING: 3641400 CPU: 11682.8, 0.00404405/step Wall: 11682.8, 0.00404405/step, 1.52618 hours remaining, 233.628906 MB of memory in use. ENERGY: 3641400 4007.0696 20549.4527 14452.1062 223.2255 -203244.0457 2294.6828 0.0000 0.0000 52010.1144 -109707.3945 298.9028 -161717.5089 -109350.5041 298.4253 -14.9313 10.9366 761437.4568 9.7918 9.7938 PRESSURE: 3641600 -410.895 -31.1014 -102.218 -31.1015 -331.98 -68.0482 -102.218 -68.0486 -223.97 GPRESSURE: 3641600 -291.431 -2.61855 -87.6025 39.1875 -327.093 -77.6724 -50.6908 74.5824 -250.867 PRESSAVG: 3641600 63.0892 -7.42457 0.697047 -7.42464 8.98331 -33.5435 0.697069 -33.5435 16.1248 GPRESSAVG: 3641600 63.0363 -5.20129 1.34276 -7.65774 8.70893 -34.9682 1.7449 -33.4024 16.3759 TIMING: 3641600 CPU: 11683.7, 0.00403458/step Wall: 11683.7, 0.00403458/step, 1.52238 hours remaining, 233.628906 MB of memory in use. ENERGY: 3641600 3969.3139 20364.8498 14458.1985 259.2338 -202806.8367 1860.0711 0.0000 0.0000 52300.8962 -109594.2733 300.5740 -161895.1695 -109224.1280 299.0540 -322.2815 -289.7972 760658.9539 29.3991 29.3737 PRESSURE: 3641800 102.862 -76.441 -15.8292 -76.4412 -165.31 168.658 -15.8293 168.657 -161.758 GPRESSURE: 3641800 77.5544 -59.6384 4.44084 -61.2834 -156.7 155.959 -73.4966 204.654 -53.1337 PRESSAVG: 3641800 21.921 -15.6774 -4.90339 -15.6775 -63.5471 27.7772 -4.90338 27.7772 4.77842 GPRESSAVG: 3641800 22.9525 -15.2567 -7.05427 -18.3087 -62.6762 28.9271 -5.00592 27.8193 2.85114 TIMING: 3641800 CPU: 11684.5, 0.00402545/step Wall: 11684.5, 0.00402545/step, 1.51871 hours remaining, 233.628906 MB of memory in use. ENERGY: 3641800 4028.1302 20554.9994 14518.6521 243.2898 -203068.3471 2195.3937 0.0000 0.0000 51965.9101 -109561.9718 298.6488 -161527.8819 -109208.7107 299.0540 -74.7356 -44.0930 759890.4448 -12.2826 -12.2908 PRESSURE: 3642000 -305.127 166.201 -201.731 166.202 -82.8434 -57.9864 -201.731 -57.9874 -54.0739 GPRESSURE: 3642000 -212.299 322.672 -166.055 188.274 -128.329 26.221 -48.8298 -76.627 -7.2372 PRESSAVG: 3642000 71.9222 -42.6759 -40.0353 -42.6759 -59.8146 -0.324223 -40.0353 -0.324219 -15.0603 GPRESSAVG: 3642000 71.1354 -40.2081 -39.8236 -42.6434 -59.8392 1.05244 -40.625 -0.589867 -14.6434 TIMING: 3642000 CPU: 11685.3, 0.00401508/step Wall: 11685.3, 0.00401508/step, 1.51458 hours remaining, 233.628906 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: 3642000 3963.1945 20476.7598 14485.5240 246.5739 -203467.9692 2582.2862 0.0000 0.0000 52044.3163 -109669.3144 299.0994 -161713.6307 -109306.4183 299.1364 -147.3480 -115.9550 760121.2135 -0.9842 -1.1157 PRESSURE: 3642200 459.805 98.9121 -24.2096 98.9128 -137.064 0.16431 -24.2084 0.165243 -196.388 GPRESSURE: 3642200 538.411 -21.5396 -5.38848 98.9607 -120.953 -22.0697 -40.2162 -75.9251 -213.946 PRESSAVG: 3642200 23.6063 32.224 23.307 32.224 -6.28503 -11.3149 23.307 -11.3148 -3.6651 GPRESSAVG: 3642200 24.7475 29.7526 23.1486 34.1382 -6.90488 -12.0916 24.2196 -12.1457 -3.92422 TIMING: 3642200 CPU: 11686.1, 0.00399846/step Wall: 11686.1, 0.00399846/step, 1.50809 hours remaining, 233.628906 MB of memory in use. ENERGY: 3642200 3933.3271 20500.4892 14398.2530 233.8226 -202964.6269 2395.0259 0.0000 0.0000 51940.3717 -109563.3375 298.5020 -161503.7092 -109207.3795 298.7429 42.1180 67.8373 760728.0009 4.5521 4.6395 PRESSURE: 3642400 -9.44446 -91.3369 61.0706 -91.3378 3.90175 208.024 61.0697 208.024 -171.926 GPRESSURE: 3642400 4.04129 -139.636 62.6583 -87.5148 64.7037 167.556 -9.92994 270.817 -163.116 PRESSAVG: 3642400 36.8944 -56.1909 -8.01734 -56.191 -4.11112 5.93541 -8.0174 5.93546 -13.3442 GPRESSAVG: 3642400 36.0854 -55.9 -8.52853 -56.3658 -5.19166 3.28003 -11.4724 5.45651 -11.5283 TIMING: 3642400 CPU: 11686.9, 0.00401943/step Wall: 11686.9, 0.00401943/step, 1.51577 hours remaining, 233.628906 MB of memory in use. ENERGY: 3642400 3989.2352 20451.1392 14443.7684 237.8382 -203093.6804 2468.8451 0.0000 0.0000 51792.7298 -109710.1246 297.6535 -161502.8544 -109351.4548 298.7128 -59.1562 -31.4569 760597.3676 6.4797 6.4551 PRESSURE: 3642600 151.871 -35.0856 202.779 -35.0857 -332.534 -134.953 202.779 -134.952 -823.669 GPRESSURE: 3642600 9.50656 61.3474 98.1611 -92.7346 -229.712 -131.309 278.547 -17.831 -703.729 PRESSAVG: 3642600 -10.8493 -42.953 3.17639 -42.9531 -11.4199 -78.6424 3.17636 -78.6423 -3.12686 GPRESSAVG: 3642600 -12.0614 -44.2003 1.14821 -42.2139 -10.0335 -76.5364 4.83565 -74.6947 -3.25908 TIMING: 3642600 CPU: 11687.7, 0.00403351/step Wall: 11687.7, 0.00403351/step, 1.52086 hours remaining, 233.628906 MB of memory in use. ENERGY: 3642600 3961.5039 20512.2657 14518.3334 250.0520 -203199.2025 2491.4210 0.0000 0.0000 51863.7607 -109601.8658 298.0617 -161465.6265 -109235.6531 298.4817 -334.7775 -307.9779 761287.8095 -8.4653 -8.4513 PRESSURE: 3642800 -217.797 -67.4385 13.6374 -67.4378 24.7395 -40.3276 13.6377 -40.3278 68.1304 GPRESSURE: 3642800 -165.669 -79.3216 -25.4562 -13.8233 51.877 -145.226 122.029 -35.9805 85.5104 PRESSAVG: 3642800 56.6331 -18.6631 2.41239 -18.663 -67.615 -9.51133 2.41239 -9.51123 8.08329 GPRESSAVG: 3642800 58.4117 -16.5685 5.15698 -19.6181 -69.3243 -11.0406 3.63348 -13.3341 8.2148 TIMING: 3642800 CPU: 11688.5, 0.00401347/step Wall: 11688.5, 0.00401347/step, 1.51308 hours remaining, 233.628906 MB of memory in use. ENERGY: 3642800 4013.4315 20330.4914 14527.1452 258.6405 -203238.8649 2300.5880 0.0000 0.0000 52035.7496 -109772.8188 299.0502 -161808.5684 -109407.0496 298.5635 -41.6424 -9.4273 759480.8855 -0.9662 -0.8992 PRESSURE: 3643000 355.459 119.839 -14.0828 119.839 95.7479 -303.027 -14.0828 -303.028 257.678 GPRESSURE: 3643000 360.798 59.864 42.6151 94.2451 154.512 -295.4 18.8955 -279.35 274.735 PRESSAVG: 3643000 76.9395 -34.1569 -21.0175 -34.1569 -27.3273 -3.78283 -21.0174 -3.78287 15.966 GPRESSAVG: 3643000 76.763 -36.0113 -22.0787 -33.3167 -26.0076 -3.50211 -22.0715 -1.62456 15.7105 TIMING: 3643000 CPU: 11689.3, 0.0040351/step Wall: 11689.3, 0.0040351/step, 1.52101 hours remaining, 233.628906 MB of memory in use. ENERGY: 3643000 4030.8786 20374.7174 14440.2366 251.4471 -203305.4582 2419.6168 0.0000 0.0000 52246.0667 -109542.4950 300.2589 -161788.5618 -109182.1039 299.2018 236.2947 263.3482 759737.7630 21.8594 22.1553 PRESSURE: 3643200 31.529 -133.9 -149.507 -133.9 241.845 27.7998 -149.506 27.7999 -16.4839 GPRESSURE: 3643200 134.345 -53.711 -159.254 -30.1757 213.385 -2.40309 -160.306 102.316 3.87321 PRESSAVG: 3643200 29.9772 -26.1289 -13.8887 -26.1289 -63.2426 8.86127 -13.8887 8.86122 -3.63367 GPRESSAVG: 3643200 31.11 -26.771 -12.5811 -25.7171 -63.4277 8.38457 -14.4271 8.56796 -4.30124 TIMING: 3643200 CPU: 11690.1, 0.00403082/step Wall: 11690.1, 0.00403082/step, 1.51917 hours remaining, 233.628906 MB of memory in use. ENERGY: 3643200 4001.2956 20711.9304 14548.8572 253.6430 -203571.3699 2701.9319 0.0000 0.0000 51918.7121 -109434.9998 298.3776 -161353.7119 -109082.7818 299.2164 85.6300 117.2011 759826.6481 -12.2997 -12.2063 PRESSURE: 3643400 -374.091 148.226 -95.6819 148.225 -12.9027 97.3239 -95.6819 97.3234 184.536 GPRESSURE: 3643400 -246.751 87.5277 -120.778 169.163 -70.2422 66.6823 -104.711 150.917 203.624 PRESSAVG: 3643400 9.11151 -54.6289 -6.86834 -54.6288 7.88921 10.5027 -6.86832 10.5028 -17.9587 GPRESSAVG: 3643400 7.03286 -53.0364 -7.36476 -57.3559 8.41102 11.903 -7.51694 9.11638 -16.7061 TIMING: 3643400 CPU: 11690.9, 0.004/step Wall: 11690.9, 0.004/step, 1.50733 hours remaining, 233.628906 MB of memory in use. ENERGY: 3643400 3936.8582 20580.1893 14448.3199 259.4686 -202831.6456 2012.4421 0.0000 0.0000 52271.8665 -109322.5011 300.4071 -161594.3676 -108962.9978 299.8797 -67.4858 -37.7897 761004.5339 -0.3193 -0.4207 PRESSURE: 3643600 87.8927 -49.6862 242.276 -49.6862 129.037 91.6516 242.276 91.6524 36.2101 GPRESSURE: 3643600 247.449 -34.6309 243.426 -23.948 -27.0654 128.292 50.3898 185.617 100.374 PRESSAVG: 3643600 42.2112 -29.2674 -31.9331 -29.2674 -71.8591 45.1491 -31.9331 45.149 27.3558 GPRESSAVG: 3643600 43.995 -29.8981 -32.7632 -28.2805 -71.9865 43.1256 -29.3939 47.7176 26.0084 TIMING: 3643600 CPU: 11691.7, 0.00399163/step Wall: 11691.7, 0.00399163/step, 1.50396 hours remaining, 233.628906 MB of memory in use. ENERGY: 3643600 4007.6763 20588.4133 14521.9650 252.0652 -203251.2238 2605.5370 0.0000 0.0000 52010.2905 -109265.2766 298.9039 -161275.5671 -108905.8670 299.8713 84.3798 106.9193 760436.0027 -0.7640 -0.6610 PRESSURE: 3643800 -133.115 -129.945 143.206 -129.945 -109.839 -268.763 143.206 -268.764 -164.418 GPRESSURE: 3643800 -60.1694 -172.62 189.82 6.78638 -114.959 -233.373 44.3166 -172.18 -157.781 PRESSAVG: 3643800 24.1056 1.39963 -23.4733 1.39969 -10.2822 21.1986 -23.4733 21.1987 4.04197 GPRESSAVG: 3643800 23.6251 1.30037 -24.0731 2.3272 -10.6451 20.9231 -23.0109 20.4653 4.87132 TIMING: 3643800 CPU: 11692.5, 0.00397733/step Wall: 11692.5, 0.00397733/step, 1.49835 hours remaining, 233.628906 MB of memory in use. ENERGY: 3643800 3981.2713 20681.0035 14549.0122 252.7477 -203048.9411 2296.2738 0.0000 0.0000 52035.5659 -109253.0667 299.0491 -161288.6326 -108889.8386 300.0966 -135.7907 -110.9700 762033.0710 5.9551 5.9505 PRESSURE: 3644000 363.234 -251.992 -54.5834 -251.991 -318.725 -83.4532 -54.5837 -83.4534 335.141 GPRESSURE: 3644000 282.226 -153.601 -59.1683 -181.152 -63.9103 -118.021 -133.329 -105.475 253.537 PRESSAVG: 3644000 27.4903 -13.6492 29.7504 -13.6492 -47.3752 -4.30053 29.7504 -4.30051 -35.3134 GPRESSAVG: 3644000 26.1353 -12.3208 30.0547 -13.5028 -45.5759 -2.914 29.1111 -6.17924 -35.5416 TIMING: 3644000 CPU: 11693.3, 0.00400617/step Wall: 11693.3, 0.00400617/step, 1.50899 hours remaining, 233.628906 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: 3644000 4076.4818 20598.7263 14451.5788 255.4603 -203346.6440 2717.9363 0.0000 0.0000 52155.0412 -109091.4193 299.7357 -161246.4605 -108731.0169 299.8264 126.5501 157.2843 761372.2760 -18.3994 -18.3274 PRESSURE: 3644200 189.568 37.0822 -149.599 37.0814 197.03 -261.967 -149.6 -261.967 -138.258 GPRESSURE: 3644200 125.15 -100.552 -86.0723 -28.7079 214.323 -222.949 -223.703 -251.609 -9.44904 PRESSAVG: 3644200 13.1325 -19.4011 -40.2649 -19.4011 -19.4417 19.898 -40.2649 19.898 -9.32779 GPRESSAVG: 3644200 13.5356 -20.6586 -39.8429 -19.9453 -20.1619 20.3831 -42.5838 20.9815 -9.44548 TIMING: 3644200 CPU: 11694.1, 0.00401753/step Wall: 11694.1, 0.00401753/step, 1.51305 hours remaining, 233.628906 MB of memory in use. ENERGY: 3644200 3971.1384 20604.6218 14440.1288 238.0062 -203396.5497 2810.1754 0.0000 0.0000 52292.8680 -109039.6112 300.5278 -161332.4792 -108673.9812 299.4742 82.7798 110.0082 761681.5835 -5.2123 -5.3572 LDB: ============= START OF LOAD BALANCING ============== 11706.6 LDB: ============== END OF LOAD BALANCING =============== 11706.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11706.6 LDB: ============= START OF LOAD BALANCING ============== 11707 LDB: Largest compute 7033 load 0.031502 is 16.3% of average load 0.193353 LDB: Average compute 0.004444 is 2.3% of average load 0.193353 LDB: TIME 11707 LOAD: AVG 0.193353 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.086 MB LDB: TIME 11707 LOAD: AVG 0.193353 MAX 0.213702 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.164 MB LDB: TIME 11707 LOAD: AVG 0.193353 MAX 0.213702 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.164 MB LDB: ============== END OF LOAD BALANCING =============== 11707 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11707 PRESSURE: 3644400 -237.73 168.828 120.643 168.828 -22.3079 -156.139 120.643 -156.139 101.719 GPRESSURE: 3644400 -152.631 242.355 112.322 126.042 -6.32683 -123.133 84.7257 -195.771 63.2242 PRESSAVG: 3644400 -14.6293 -9.34772 -25.8391 -9.3476 0.873031 -28.9708 -25.8391 -28.9709 16.9433 GPRESSAVG: 3644400 -13.7972 -8.37769 -25.4479 -8.93874 2.0317 -28.8519 -24.9317 -29.1825 15.424 TIMING: 3644400 CPU: 11694.9, 0.00409443/step Wall: 11694.9, 0.00409443/step, 1.54178 hours remaining, 234.648438 MB of memory in use. ENERGY: 3644400 4012.7008 20431.0799 14513.3069 238.6424 -203232.0488 2792.1900 0.0000 0.0000 52183.2111 -109060.9176 299.8976 -161244.1287 -108696.6454 300.0659 -52.7730 -31.9112 762495.9423 1.0624 1.2195 PRESSURE: 3644600 -65.6021 -89.3153 -104.212 -89.315 -4.84919 9.34054 -104.213 9.34079 58.1916 GPRESSURE: 3644600 31.5189 -71.6246 -9.53284 -79.3217 3.98925 13.1548 -189.608 65.3065 20.0764 PRESSAVG: 3644600 -18.1189 -4.90208 8.60479 -4.9021 -46.693 -1.52608 8.60484 -1.52603 -11.0028 GPRESSAVG: 3644600 -17.4459 -2.43561 8.09259 -5.78675 -48.1731 -1.8249 7.60116 -1.92534 -9.82393 TIMING: 3644600 CPU: 11695.7, 0.00400266/step Wall: 11695.7, 0.00400266/step, 1.507 hours remaining, 234.847656 MB of memory in use. ENERGY: 3644600 4040.2595 20657.2768 14473.0789 241.9021 -202996.3551 2505.0697 0.0000 0.0000 52090.8794 -108987.8889 299.3670 -161078.7682 -108626.7465 299.9370 -4.0866 18.5282 762130.6947 -25.2716 -25.1476 PRESSURE: 3644800 271.908 -122.096 -224.46 -122.097 -36.9821 -6.2828 -224.46 -6.28316 375.988 GPRESSURE: 3644800 257.777 -132.573 -256.456 -94.2435 117.093 90.6575 -76.7636 78.1846 336.451 PRESSAVG: 3644800 -7.55689 -13.0277 -65.6495 -13.0277 -4.92957 23.6002 -65.6495 23.6003 34.5784 GPRESSAVG: 3644800 -8.84149 -15.6072 -68.1618 -12.284 -3.44391 24.4877 -64.2157 21.8154 35.0257 TIMING: 3644800 CPU: 11696.5, 0.00402482/step Wall: 11696.5, 0.00402482/step, 1.51512 hours remaining, 234.847656 MB of memory in use. ENERGY: 3644800 4026.2225 20473.9647 14504.0152 250.7663 -203099.1384 2396.7169 0.0000 0.0000 52172.9313 -109274.5214 299.8386 -161447.4528 -108903.3689 299.8329 203.6380 237.1067 760765.2594 7.3640 7.5801 PRESSURE: 3645000 -256.207 -16.9869 356.256 -16.9876 60.4306 -1.34879 356.256 -1.34974 -57.334 GPRESSURE: 3645000 -182.573 -8.60667 344.187 -100.517 118.249 0.706865 341.927 64.6206 -112.206 PRESSAVG: 3645000 39.9398 -36.9434 20.2331 -36.9434 -12.8759 31.574 20.2332 31.5741 5.72698 GPRESSAVG: 3645000 40.623 -37.8785 21.3877 -37.7056 -12.7348 30.3732 20.4091 34.0497 4.85406 TIMING: 3645000 CPU: 11697.3, 0.00401895/step Wall: 11697.3, 0.00401895/step, 1.51269 hours remaining, 234.847656 MB of memory in use. ENERGY: 3645000 3973.1626 20464.3384 14547.2062 269.1861 -203340.2578 2765.3645 0.0000 0.0000 52237.2305 -109083.7697 300.2081 -161321.0001 -108718.6391 299.6107 -84.3701 -58.8436 761087.9464 10.9303 10.9141 PRESSURE: 3645200 86.7954 -51.6547 101.207 -51.6544 144.363 -15.5679 101.208 -15.5679 115.323 GPRESSURE: 3645200 89.0785 -206.482 151.149 5.48445 138.083 -47.394 83.4077 -66.8679 197.858 PRESSAVG: 3645200 40.5257 -29.4451 20.0659 -29.4451 -22.2248 -4.88096 20.0659 -4.88094 10.1989 GPRESSAVG: 3645200 39.867 -31.3885 20.0938 -25.7378 -22.1252 -4.44736 17.9733 -7.40823 11.1195 TIMING: 3645200 CPU: 11698.1, 0.00399585/step Wall: 11698.1, 0.00399586/step, 1.50377 hours remaining, 234.847656 MB of memory in use. ENERGY: 3645200 3954.5556 20548.6573 14483.1491 243.9255 -203297.6152 2525.0543 0.0000 0.0000 52450.8469 -109091.4264 301.4357 -161542.2733 -108721.4227 300.0036 115.4940 141.6730 760112.5927 9.4999 9.6205 PRESSURE: 3645400 176.92 -130.466 -256.737 -130.466 -27.1584 -75.3501 -256.737 -75.3497 362.491 GPRESSURE: 3645400 207.251 -221.212 -142.228 -103.201 39.9676 -24.4809 -109.978 -72.0716 362.911 PRESSAVG: 3645400 37.8778 -51.5325 33.208 -51.5324 -46.8794 -1.65964 33.2081 -1.65964 -0.725551 GPRESSAVG: 3645400 39.42 -50.5516 33.8202 -53.2421 -49.1468 -2.68573 33.8897 -1.47164 -0.145624 TIMING: 3645400 CPU: 11698.9, 0.00400363/step Wall: 11698.9, 0.00400363/step, 1.50648 hours remaining, 234.847656 MB of memory in use. ENERGY: 3645400 3955.8812 20575.3055 14463.0230 237.9301 -203416.4049 2590.7289 0.0000 0.0000 52406.3691 -109187.1670 301.1801 -161593.5361 -108815.4196 300.1188 170.7510 203.3768 759209.1026 -3.2424 -3.2908 PRESSURE: 3645600 136.725 -2.91777 83.1304 -2.91784 -76.9783 -98.1039 83.131 -98.1046 163.259 GPRESSURE: 3645600 78.6366 13.0814 68.2655 37.0223 40.9121 -123.878 108.373 -111.779 175.83 PRESSAVG: 3645600 40.5186 -43.5229 -15.6581 -43.5229 3.03154 8.15279 -15.6581 8.15284 27.6756 GPRESSAVG: 3645600 38.8211 -41.5022 -16.0628 -45.2514 4.22429 8.18103 -15.986 8.8808 27.6329 TIMING: 3645600 CPU: 11699.7, 0.00398581/step Wall: 11699.7, 0.00398581/step, 1.49955 hours remaining, 234.847656 MB of memory in use. ENERGY: 3645600 3987.2679 20662.3756 14444.2380 243.1069 -203477.1685 2830.4539 0.0000 0.0000 52162.4847 -109147.2416 299.7785 -161309.7262 -108775.5621 299.8611 74.3353 98.4595 761818.7215 23.7419 23.5594 PRESSURE: 3645800 113.629 -159.898 -97.2832 -159.897 -138.754 185.636 -97.2824 185.635 367.843 GPRESSURE: 3645800 107.889 -193.882 -89.2954 -186.961 -39.6284 224.915 -154.087 308.066 358.437 PRESSAVG: 3645800 56.2643 -36.5723 19.3297 -36.5723 -37.6756 -29.3047 19.3297 -29.3047 16.8868 GPRESSAVG: 3645800 55.819 -37.5648 21.11 -34.2595 -36.3953 -28.7944 18.8924 -28.4341 15.9807 TIMING: 3645800 CPU: 11700.5, 0.00403041/step Wall: 11700.5, 0.00403041/step, 1.5161 hours remaining, 234.847656 MB of memory in use. ENERGY: 3645800 3985.5515 20601.2551 14512.9528 260.3083 -203131.5088 2553.7849 0.0000 0.0000 52388.9450 -108828.7112 301.0800 -161217.6562 -108463.7130 300.6034 114.2396 142.2325 759934.7073 11.8252 11.8015 PRESSURE: 3646000 231.826 -63.5633 -202.763 -63.5635 21.9982 172.031 -202.764 172.03 134.541 GPRESSURE: 3646000 347.355 1.97808 -124.504 -55.8149 66.3415 114.55 -342.236 220.144 67.9324 PRESSAVG: 3646000 57.328 -77.8049 -28.552 -77.8049 -62.7671 14.7336 -28.552 14.7335 11.0024 GPRESSAVG: 3646000 57.8445 -77.2924 -30.6036 -79.9529 -62.9218 14.3077 -29.1481 13.7794 10.8373 TIMING: 3646000 CPU: 11701.3, 0.0040466/step Wall: 11701.3, 0.0040466/step, 1.52197 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3646000 3953.1865 20617.2243 14436.3948 261.5915 -202979.0967 2457.6780 0.0000 0.0000 52264.4682 -108988.5535 300.3646 -161253.0216 -108616.9347 301.1398 129.4549 160.5429 760573.0534 1.8544 1.9200 PRESSURE: 3646200 -1.28541 128.304 -20.0258 128.305 105.182 -5.45034 -20.025 -5.45109 472.598 GPRESSURE: 3646200 64.485 79.233 110.873 127.468 124.052 29.4456 21.0039 -125.897 477.072 PRESSAVG: 3646200 7.24347 -56.8294 -43.0536 -56.8294 -41.3704 -4.27175 -43.0536 -4.27181 -2.3897 GPRESSAVG: 3646200 8.84632 -57.0654 -42.7372 -56.5568 -42.251 -2.87735 -42.1849 -5.96969 -2.95383 TIMING: 3646200 CPU: 11702.1, 0.00403474/step Wall: 11702.1, 0.00403474/step, 1.51729 hours remaining, 234.847656 MB of memory in use. ENERGY: 3646200 3985.7205 20594.5490 14453.8555 262.2129 -203463.3117 2723.1966 0.0000 0.0000 52383.8880 -109059.8891 301.0509 -161443.7771 -108694.8184 300.4987 192.1650 221.8696 760398.9287 -12.1722 -12.1195 PRESSURE: 3646400 5.30043 13.2629 -95.53 13.2629 -313.045 -29.378 -95.5302 -29.3786 -413.876 GPRESSURE: 3646400 -56.5968 71.3438 -105.703 -69.4722 -252.286 -42.6527 -67.8399 -110.296 -327.782 PRESSAVG: 3646400 15.9838 -105.001 21.1996 -105.001 -6.0972 -6.37544 21.1996 -6.37538 -9.91702 GPRESSAVG: 3646400 15.2563 -105.599 21.2636 -103.854 -6.89435 -8.09633 22.6233 -3.63076 -7.80804 TIMING: 3646400 CPU: 11702.9, 0.00403465/step Wall: 11702.9, 0.00403465/step, 1.51703 hours remaining, 234.847656 MB of memory in use. ENERGY: 3646400 3999.0077 20661.2063 14472.2247 216.5579 -202867.1426 2164.7988 0.0000 0.0000 52213.1658 -109140.1814 300.0698 -161353.3472 -108780.3754 300.0748 -240.5400 -212.2216 760554.3956 -0.0101 0.1846 PRESSURE: 3646600 46.7528 -50.5976 -173.528 -50.5971 35.9193 67.8294 -173.528 67.8295 89.516 GPRESSURE: 3646600 103.908 128.499 -233.513 -151.974 70.6572 118.953 -79.781 -40.0086 87.8068 PRESSAVG: 3646600 25.1936 -96.0283 -16.5434 -96.0283 -31.0594 -23.3108 -16.5434 -23.3108 5.31996 GPRESSAVG: 3646600 25.2636 -95.7002 -15.8197 -95.4297 -29.311 -23.5953 -18.5126 -24.973 3.27373 TIMING: 3646600 CPU: 11703.7, 0.00402972/step Wall: 11703.7, 0.00402972/step, 1.51495 hours remaining, 234.847656 MB of memory in use. ENERGY: 3646600 3898.4409 20500.6623 14472.0307 250.5983 -203162.4482 2429.0972 0.0000 0.0000 52108.4415 -109503.1772 299.4679 -161611.6187 -109144.3545 299.9879 57.3960 87.4574 759335.4046 -0.1819 -0.2579 PRESSURE: 3646800 57.1874 -181.318 -36.7184 -181.317 34.9334 -84.5844 -36.7176 -84.5831 -181.307 GPRESSURE: 3646800 83.0937 -101.793 30.5042 -71.708 50.749 -92.6108 48.2556 9.29285 -143.097 PRESSAVG: 3646800 50.8254 -89.2549 45.9562 -89.2549 -11.2121 -7.13729 45.9562 -7.13726 26.5764 GPRESSAVG: 3646800 50.4035 -88.1275 44.9859 -90.9802 -12.1441 -6.35389 47.2255 -5.73272 27.9664 TIMING: 3646800 CPU: 11704.5, 0.00399079/step Wall: 11704.5, 0.00399079/step, 1.50009 hours remaining, 234.847656 MB of memory in use. ENERGY: 3646800 3977.7564 20552.6591 14454.9921 255.0970 -203656.1690 2747.3831 0.0000 0.0000 52345.4984 -109322.7829 300.8303 -161668.2814 -108953.7064 299.1623 -29.7288 -3.0846 759009.3711 22.0632 22.0753 PRESSURE: 3647000 -78.646 99.0631 -35.9514 99.0633 -158.765 -10.6752 -35.9519 -10.6753 8.31747 GPRESSURE: 3647000 48.1011 -100.859 16.889 45.9049 -212.131 -63.2686 45.7865 -81.7632 24.4847 PRESSAVG: 3647000 -28.791 -25.1149 44.2746 -25.1149 -8.82115 -30.4386 44.2746 -30.4385 -9.54533 GPRESSAVG: 3647000 -29.6366 -25.83 44.2363 -25.1595 -6.77678 -30.0795 44.9271 -32.1687 -11.3435 TIMING: 3647000 CPU: 11705.3, 0.00399708/step Wall: 11705.3, 0.00399708/step, 1.50223 hours remaining, 234.847656 MB of memory in use. ENERGY: 3647000 3971.2823 20622.7822 14532.8037 262.7621 -203208.0823 2349.0230 0.0000 0.0000 52298.9749 -109170.4540 300.5629 -161469.4290 -108799.4047 299.8744 -76.3644 -46.5152 760507.4276 -15.7192 -15.9190 PRESSURE: 3647200 -131.937 55.3278 111.622 55.3283 -216.532 31.5133 111.622 31.5124 -82.9292 GPRESSURE: 3647200 -76.5866 169.83 7.89231 11.5715 -170.377 51.1173 70.8562 192.571 -113.199 PRESSAVG: 3647200 24.7344 -9.05666 5.63209 -9.05667 -63.4297 55.1252 5.63204 55.1252 11.2449 GPRESSAVG: 3647200 26.1875 -8.25626 5.94053 -10.0944 -65.1108 54.8102 4.44242 57.815 11.8481 TIMING: 3647200 CPU: 11706.1, 0.00399567/step Wall: 11706.1, 0.00399567/step, 1.50148 hours remaining, 234.847656 MB of memory in use. ENERGY: 3647200 3954.7519 20664.5189 14495.3803 263.4307 -203071.5483 2323.3627 0.0000 0.0000 52271.7604 -109098.3434 300.4065 -161370.1038 -108732.3062 300.1301 -143.7992 -120.0541 761818.8191 -9.1501 -9.0251 PRESSURE: 3647400 -159.908 4.75611 -229.518 4.7562 120.133 -220.84 -229.519 -220.839 -87.3398 GPRESSURE: 3647400 -117.987 72.8936 -160.015 25.4661 109.279 -236.201 -182.345 -204.525 -50.2192 PRESSAVG: 3647400 32.5469 -58.4957 -14.6346 -58.4957 -23.1228 -16.3641 -14.6346 -16.3641 8.77069 GPRESSAVG: 3647400 30.4585 -57.9475 -15.0458 -56.1369 -22.6531 -17.9182 -13.853 -16.2889 10.4582 TIMING: 3647400 CPU: 11706.9, 0.00402818/step Wall: 11706.9, 0.00402818/step, 1.51348 hours remaining, 234.847656 MB of memory in use. ENERGY: 3647400 4064.7689 20544.5746 14460.1682 239.5093 -203078.2211 2204.4793 0.0000 0.0000 52312.9203 -109251.8007 300.6431 -161564.7209 -108879.0907 300.0321 -42.3716 -19.6423 760293.2576 6.0649 6.0879 PRESSURE: 3647600 40.4907 -4.38448 -105.854 -4.38388 -85.1317 -216.831 -105.853 -216.83 191.97 GPRESSURE: 3647600 156.875 67.3682 -21.4428 -119.082 -77.9656 -226.904 -208.05 -150.413 153.54 PRESSAVG: 3647600 29.2341 -47.2304 17.2487 -47.2303 -33.342 12.7409 17.2488 12.7409 -22.7566 GPRESSAVG: 3647600 30.385 -46.8958 17.3009 -46.7224 -33.9253 12.9045 17.5439 11.7814 -23.2463 TIMING: 3647600 CPU: 11707.7, 0.00400068/step Wall: 11707.7, 0.00400068/step, 1.50292 hours remaining, 234.847656 MB of memory in use. ENERGY: 3647600 4039.9874 20574.9643 14523.6348 251.0361 -203101.5154 2517.0359 0.0000 0.0000 52110.5412 -109084.3158 299.4800 -161194.8570 -108724.4941 299.8463 49.1096 77.4831 760643.5276 -8.9548 -8.9289 PRESSURE: 3647800 -12.8591 -184.725 1.11436 -184.725 220.473 114.817 1.11448 114.817 253.778 GPRESSURE: 3647800 -11.7668 -188.369 59.697 -310.57 244.37 80.5817 1.34656 114.79 319.189 PRESSAVG: 3647800 20.2124 -68.505 43.1753 -68.505 -29.1579 33.295 43.1753 33.2949 22.358 GPRESSAVG: 3647800 20.0512 -69.0212 42.8954 -71.7425 -29.9784 33.86 43.0894 33.5281 23.0983 TIMING: 3647800 CPU: 11708.5, 0.00399642/step Wall: 11708.5, 0.00399642/step, 1.5011 hours remaining, 234.847656 MB of memory in use. ENERGY: 3647800 3969.6785 20565.6990 14471.2328 243.9040 -203059.9331 2409.0034 0.0000 0.0000 52282.2586 -109118.1567 300.4669 -161400.4153 -108752.6634 300.4343 153.7972 183.9308 761986.0714 4.4708 4.3904 PRESSURE: 3648000 -201.899 -20.0105 -96.741 -20.0108 4.18844 -237.223 -96.741 -237.223 -237.559 GPRESSURE: 3648000 -180.483 -174.901 -112.396 -2.26502 -1.87886 -276.364 -85.1733 -191.197 -172.539 PRESSAVG: 3648000 -6.78026 -73.3716 49.7704 -73.3716 16.1679 -13.6709 49.7704 -13.6708 -4.0453 GPRESSAVG: 3648000 -6.60319 -73.9325 50.7686 -73.1759 16.2878 -13.731 48.3269 -12.2997 -4.47933 TIMING: 3648000 CPU: 11709.3, 0.00399699/step Wall: 11709.3, 0.00399699/step, 1.50109 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3648000 3955.9805 20635.1423 14452.4623 245.4521 -203356.4686 2575.7929 0.0000 0.0000 52362.5620 -109129.0766 300.9284 -161491.6386 -108763.7757 300.1377 -145.0896 -118.3002 760217.6228 1.7808 1.7351 PRESSURE: 3648200 264.81 -109.216 -371.461 -109.216 79.7715 -200.285 -371.461 -200.286 427.756 GPRESSURE: 3648200 242.5 -152.207 -433.15 -130.488 203.624 -157.597 -417.524 -145.72 413.253 PRESSAVG: 3648200 -22.0178 -41.6617 22.7189 -41.6617 -3.03329 1.84908 22.7189 1.8491 29.52 GPRESSAVG: 3648200 -22.0596 -43.8767 21.5647 -41.426 -1.7432 3.05758 22.9222 -0.487001 28.2035 TIMING: 3648200 CPU: 11710.1, 0.00401129/step Wall: 11710.1, 0.00401129/step, 1.50624 hours remaining, 234.847656 MB of memory in use. ENERGY: 3648200 3938.2241 20529.9570 14393.2223 268.9209 -203380.9788 2852.8257 0.0000 0.0000 52130.1887 -109267.6402 299.5929 -161397.8288 -108907.6875 299.9802 257.4461 286.4590 760553.4453 1.4897 1.4669 LDB: ============= START OF LOAD BALANCING ============== 11722.7 LDB: ============== END OF LOAD BALANCING =============== 11722.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722.7 LDB: ============= START OF LOAD BALANCING ============== 11723.1 LDB: Largest compute 7069 load 0.032096 is 16.6% of average load 0.193403 LDB: Average compute 0.004448 is 2.3% of average load 0.193403 LDB: TIME 11723.1 LOAD: AVG 0.193403 MAX 0.214035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.387 MB LDB: TIME 11723.1 LOAD: AVG 0.193403 MAX 0.214035 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: TIME 11723.1 LOAD: AVG 0.193403 MAX 0.214035 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: ============== END OF LOAD BALANCING =============== 11723.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11723.1 PRESSURE: 3648400 -126.288 -17.0474 270.413 -17.0471 -78.1205 -108.203 270.413 -108.203 135.361 GPRESSURE: 3648400 -111.631 -119.27 294.227 9.56624 -108.793 -17.6496 149.091 -86.1449 227.999 PRESSAVG: 3648400 -22.0951 -15.474 -2.07979 -15.474 15.5142 37.6506 -2.07977 37.6506 -22.5322 GPRESSAVG: 3648400 -23.7494 -14.0129 -1.03933 -13.4585 15.8732 37.9707 -1.29554 38.8694 -21.4664 TIMING: 3648400 CPU: 11711, 0.00407419/step Wall: 11711, 0.00407419/step, 1.52963 hours remaining, 233.355469 MB of memory in use. ENERGY: 3648400 3928.9556 20733.9258 14481.0928 232.8446 -203432.7028 2361.9061 0.0000 0.0000 52167.1382 -109526.8397 299.8053 -161693.9779 -109162.8848 299.7949 -23.0160 2.5249 759776.1973 -9.7044 -9.7809 PRESSURE: 3648600 -113.253 52.883 -105.044 52.8828 -353.039 123.789 -105.043 123.788 -37.4565 GPRESSURE: 3648600 -29.7408 77.2957 -93.075 6.67206 -277.797 112.868 -146.725 152.612 -98.5726 PRESSAVG: 3648600 18.6567 -71.139 23.1965 -71.1391 -42.9026 -1.75465 23.1965 -1.75464 28.4892 GPRESSAVG: 3648600 19.4261 -71.9172 22.801 -71.7069 -43.1357 -3.26098 21.7995 -1.87896 28.1615 TIMING: 3648600 CPU: 11711.8, 0.00399568/step Wall: 11711.8, 0.00399568/step, 1.49993 hours remaining, 233.371094 MB of memory in use. ENERGY: 3648600 4023.4304 20543.6577 14367.5455 251.3783 -202925.2565 2146.0952 0.0000 0.0000 52050.2922 -109542.8572 299.1337 -161593.1495 -109181.7744 299.6589 -167.9159 -135.3703 761049.3935 1.4144 1.4840 PRESSURE: 3648800 -151.973 14.9434 -57.7645 14.9439 -90.6544 114.515 -57.7641 114.514 -211.429 GPRESSURE: 3648800 -153.707 52.2498 -65.169 166.675 -36.9509 168.75 -127.462 90.2856 -190.638 PRESSAVG: 3648800 26.7843 -25.4136 37.3128 -25.4136 -16.5758 -8.93732 37.3128 -8.93744 1.07455 GPRESSAVG: 3648800 27.9157 -23.2545 37.107 -25.4063 -16.9619 -10.0086 37.6391 -9.68012 0.218086 TIMING: 3648800 CPU: 11712.6, 0.00399027/step Wall: 11712.6, 0.00399027/step, 1.49768 hours remaining, 233.371094 MB of memory in use. ENERGY: 3648800 4030.0426 20449.8579 14389.3892 242.5888 -203365.5579 2271.3321 0.0000 0.0000 52210.2150 -109772.1322 300.0528 -161982.3473 -109410.7148 299.2705 -151.3520 -127.0985 760489.6915 3.7610 3.7240 PRESSURE: 3649000 -78.8346 -286.453 54.925 -286.454 -448.836 69.9666 54.9244 69.9657 -255.227 GPRESSURE: 3649000 -124.895 -155.945 37.1144 -321.201 -356.703 83.5257 10.7441 125.864 -231.834 PRESSAVG: 3649000 -14.6682 -51.4914 -13.0791 -51.4914 -23.0156 15.1732 -13.0791 15.1732 -6.74376 GPRESSAVG: 3649000 -15.1805 -51.7785 -13.7428 -52.5273 -22.9461 16.9077 -12.4421 14.6964 -6.51714 TIMING: 3649000 CPU: 11713.4, 0.00397175/step Wall: 11713.4, 0.00397175/step, 1.49051 hours remaining, 233.582031 MB of memory in use. ENERGY: 3649000 3965.0934 20626.5866 14485.7124 247.9809 -203229.0629 2294.7305 0.0000 0.0000 51984.8954 -109624.0636 298.7579 -161608.9590 -109253.5880 298.8385 -260.9658 -237.8105 761475.5706 -14.8092 -14.8813 PRESSURE: 3649200 -87.2874 56.7653 -330.794 56.7656 201.655 77.7832 -330.793 77.7837 -528.801 GPRESSURE: 3649200 -137.313 68.3 -256.319 -70.3407 301.742 72.1736 -306.506 82.6708 -499.612 PRESSAVG: 3649200 31.2968 -48.8702 11.3972 -48.8702 -12.1756 6.98995 11.3972 6.98996 13.8363 GPRESSAVG: 3649200 30.6394 -48.8682 10.9473 -48.9111 -11.2094 5.84649 13.397 6.33566 13.4456 TIMING: 3649200 CPU: 11714.2, 0.00400415/step Wall: 11714.2, 0.00400415/step, 1.50244 hours remaining, 233.582031 MB of memory in use. ENERGY: 3649200 4024.4769 20483.3838 14351.6321 235.2894 -203152.7918 2397.6643 0.0000 0.0000 52101.8441 -109558.5012 299.4300 -161660.3453 -109195.9906 299.5456 -138.1444 -111.7275 760529.2986 10.9858 10.9585 PRESSURE: 3649400 94.5981 243.987 -67.8889 243.987 -52.1083 -178.66 -67.8897 -178.661 -121.84 GPRESSURE: 3649400 16.7748 186.222 -96.1178 238.507 39.658 -252.666 26.9485 -175.519 -33.2012 PRESSAVG: 3649400 24.8865 -18.8192 23.2293 -18.8192 -5.59674 -25.4989 23.2293 -25.4989 11.1381 GPRESSAVG: 3649400 25.5497 -17.8838 24.1986 -17.7475 -6.64345 -24.9601 21.655 -23.096 12.1537 TIMING: 3649400 CPU: 11715, 0.0039951/step Wall: 11715, 0.0039951/step, 1.49883 hours remaining, 233.582031 MB of memory in use. ENERGY: 3649400 3998.1672 20573.6718 14445.4412 252.9927 -203543.3001 2574.6810 0.0000 0.0000 51818.9132 -109879.4330 297.8040 -161698.3462 -109533.8677 298.6387 -26.4502 7.7439 762955.6975 10.1426 10.3533 PRESSURE: 3649600 -303.73 -369.504 -83.4212 -369.504 36.4142 253.203 -83.4222 253.203 -13.5563 GPRESSURE: 3649600 -239.147 -377.004 -134.811 -282.789 4.88459 225.17 -159.369 276.525 50.257 PRESSAVG: 3649600 -34.4557 -92.0424 36.8332 -92.0424 -8.48567 21.2703 36.8332 21.2702 8.98529 GPRESSAVG: 3649600 -34.2992 -92.7041 36.7467 -92.8638 -8.97699 19.8472 36.9162 21.7265 9.53203 TIMING: 3649600 CPU: 11715.8, 0.00399471/step Wall: 11715.8, 0.00399471/step, 1.49846 hours remaining, 233.582031 MB of memory in use. ENERGY: 3649600 3974.5245 20296.4269 14383.3593 244.5588 -203247.7988 2360.3492 0.0000 0.0000 51947.7384 -110040.8418 298.5444 -161988.5802 -109693.8994 297.7590 -93.6239 -61.3350 761103.0395 -11.3187 -11.2481 PRESSURE: 3649800 -269.739 -6.927 -62.5775 -6.92705 -1.4267 99.1093 -62.578 99.1077 199.641 GPRESSURE: 3649800 -177.777 -10.1049 -194.891 -65.2231 -23.6692 110.011 33.5466 81.5738 217.457 PRESSAVG: 3649800 -11.5305 -92.3712 51.224 -92.3712 4.84182 37.082 51.224 37.0821 -15.2922 GPRESSAVG: 3649800 -11.3398 -94.2064 52.3454 -92.0777 7.10805 38.3274 52.97 36.8199 -16.8723 TIMING: 3649800 CPU: 11716.6, 0.00400273/step Wall: 11716.6, 0.00400273/step, 1.50125 hours remaining, 233.582031 MB of memory in use. ENERGY: 3649800 4034.2964 20475.7326 14488.4654 252.0760 -203749.0839 2547.4257 0.0000 0.0000 51995.9442 -109955.1435 298.8214 -161951.0877 -109599.7665 298.1197 -23.8416 5.3369 760404.1568 -7.3270 -7.0347 PRESSURE: 3650000 -295.958 138.071 -3.59717 138.072 290.583 -10.889 -3.59671 -10.8894 -135.579 GPRESSURE: 3650000 -193.782 100.674 -20.0821 103.887 254.803 78.028 99.1293 14.2224 -103.907 PRESSAVG: 3650000 4.17112 -52.7928 -4.63829 -52.7928 -20.004 1.25169 -4.63828 1.2517 10.1968 GPRESSAVG: 3650000 3.3799 -53.1546 -6.2106 -51.9172 -21.7705 1.73249 -5.59816 1.3427 11.7777 TIMING: 3650000 CPU: 11717.4, 0.00399062/step Wall: 11717.4, 0.00399062/step, 1.49648 hours remaining, 233.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3650000 3930.6227 20473.4378 14439.9634 255.5555 -203748.3426 2594.0088 0.0000 0.0000 52023.3019 -110031.4525 298.9786 -162054.7544 -109660.0255 298.7392 -46.9847 -14.2953 760776.5598 -1.8787 -2.2043 PRESSURE: 3650200 -290.774 -184.357 19.8214 -184.358 -470.462 -50.9654 19.8217 -50.9661 -333.266 GPRESSURE: 3650200 -202.562 -137.307 85.2954 -161.399 -470.505 18.6462 130.54 34.9078 -342.305 PRESSAVG: 3650200 15.7128 -42.86 -21.8636 -42.86 32.1762 -13.2619 -21.8636 -13.2619 4.60365 GPRESSAVG: 3650200 15.852 -41.3942 -20.8052 -43.7437 32.3614 -14.0039 -22.5396 -12.6524 4.69774 TIMING: 3650200 CPU: 11718.1, 0.00397861/step Wall: 11718.1, 0.00397861/step, 1.49176 hours remaining, 233.582031 MB of memory in use. ENERGY: 3650200 4130.4917 20539.3213 14444.4022 258.8393 -203694.6591 2444.6733 0.0000 0.0000 52025.6406 -109851.2906 298.9921 -161876.9312 -109491.8465 299.0003 -364.8341 -338.4574 760741.3495 17.4975 17.6371 PRESSURE: 3650400 -107.74 -253.912 196.452 -253.912 333.249 134.46 196.452 134.46 155.749 GPRESSURE: 3650400 -20.3939 -290.679 243.878 -243.047 321.136 106.837 300.403 130.895 152.061 PRESSAVG: 3650400 23.8882 -93.427 36.7994 -93.4269 -8.78959 13.8462 36.7994 13.8461 -23.3866 GPRESSAVG: 3650400 25.3551 -92.8517 36.219 -94.3348 -8.44799 15.9304 36.6373 13.5498 -25.6448 TIMING: 3650400 CPU: 11718.9, 0.00401541/step Wall: 11718.9, 0.00401541/step, 1.50533 hours remaining, 233.582031 MB of memory in use. ENERGY: 3650400 4052.3586 20490.0358 14383.2367 242.1175 -204111.8583 2945.0406 0.0000 0.0000 51981.3671 -110017.7021 298.7376 -161999.0691 -109661.3344 299.0999 127.0860 150.9345 759383.6169 -2.7627 -2.9125 PRESSURE: 3650600 -128.632 144.176 189.313 144.175 -61.3907 -96.7601 189.314 -96.7608 252.287 GPRESSURE: 3650600 -19.9457 296.793 189.773 -75.1437 -34.1856 -92.5436 159.885 -112.99 214.013 PRESSAVG: 3650600 85.3024 -59.3432 76.4007 -59.3432 -63.2119 1.19478 76.4007 1.19479 4.7901 GPRESSAVG: 3650600 84.4889 -60.9743 75.7063 -58.8888 -65.2569 -0.0485617 76.724 -0.141148 7.70748 TIMING: 3650600 CPU: 11719.8, 0.00400643/step Wall: 11719.8, 0.00400643/step, 1.50174 hours remaining, 233.582031 MB of memory in use. ENERGY: 3650600 3989.3745 20632.2937 14484.6465 253.7395 -203454.8206 2407.3430 0.0000 0.0000 51818.7724 -109868.6510 297.8032 -161687.4234 -109508.8237 298.9272 20.7546 53.2939 761586.5826 8.9602 8.9798 PRESSURE: 3650800 -230.772 -27.1195 62.851 -27.1194 -14.0807 109.82 62.8519 109.82 -108.711 GPRESSURE: 3650800 -94.9555 -14.9697 62.9296 37.1244 -46.731 61.0846 -21.35 130.458 -150.23 PRESSAVG: 3650800 47.7705 -12.2049 33.6286 -12.2049 -52.6655 -58.2788 33.6285 -58.2788 52.0515 GPRESSAVG: 3650800 46.9468 -12.6083 34.9791 -10.5003 -51.8807 -59.5323 33.6426 -55.9859 51.7166 TIMING: 3650800 CPU: 11720.5, 0.00398712/step Wall: 11720.5, 0.00398712/step, 1.49428 hours remaining, 233.582031 MB of memory in use. ENERGY: 3650800 4005.5412 20619.9882 14472.5178 244.9926 -203239.0015 2193.4738 0.0000 0.0000 51819.3259 -109883.1619 297.8064 -161702.4879 -109533.8626 298.4126 -117.8547 -97.3055 761080.4394 15.7188 15.5942 PRESSURE: 3651000 119.169 29.2618 14.8438 29.2614 57.9198 81.9646 14.8439 81.962 -14.8681 GPRESSURE: 3651000 45.2036 -56.5107 -11.6361 -17.4227 142.75 74.7142 -59.9381 71.4209 38.6648 PRESSAVG: 3651000 -24.6818 -23.3255 -1.06368 -23.3255 67.8775 30.8192 -1.06372 30.8193 9.39238 GPRESSAVG: 3651000 -24.1965 -21.8496 -2.76584 -24.1413 68.2931 31.1647 -3.16319 30.5888 8.99453 TIMING: 3651000 CPU: 11721.3, 0.00400091/step Wall: 11721.3, 0.00400091/step, 1.49923 hours remaining, 233.582031 MB of memory in use. ENERGY: 3651000 3985.0793 20596.7245 14500.4846 260.0310 -203578.4792 2575.6534 0.0000 0.0000 51705.5439 -109954.9625 297.1525 -161660.5064 -109607.4838 298.2693 54.0736 75.5395 760507.9204 17.5294 17.6971 PRESSURE: 3651200 131.232 -166.754 -102.397 -166.755 -304.905 118.427 -102.397 118.427 -543.376 GPRESSURE: 3651200 92.6644 -200.305 -24.1243 -19.1576 -228.809 177.772 -70.6603 235.215 -480.75 PRESSAVG: 3651200 -4.79901 2.80036 15.1796 2.80043 8.7318 44.6606 15.1796 44.6606 0.997477 GPRESSAVG: 3651200 -5.27732 2.29371 16.2074 2.61652 8.88645 43.5725 16.9186 45.7222 1.50818 TIMING: 3651200 CPU: 11722.2, 0.00400584/step Wall: 11722.2, 0.00400584/step, 1.50086 hours remaining, 233.785156 MB of memory in use. ENERGY: 3651200 4016.3037 20494.8877 14502.8765 252.9736 -203392.4141 2169.0094 0.0000 0.0000 51911.0506 -110045.3125 298.3335 -161956.3632 -109675.1946 298.2367 -239.0163 -205.6317 761261.9610 1.6434 1.7058 PRESSURE: 3651400 36.5388 16.4223 90.4055 16.423 -9.52276 -35.4909 90.4053 -35.4904 45.025 GPRESSURE: 3651400 46.3601 93.5319 45.3025 81.2462 30.5778 -38.4889 94.1932 -57.4167 75.7179 PRESSAVG: 3651400 60.0572 -19.1714 3.49931 -19.1714 -74.8017 10.6176 3.49933 10.6176 8.44254 GPRESSAVG: 3651400 60.286 -19.6067 4.46475 -19.4503 -72.8724 12.1176 3.43807 7.78761 6.52425 TIMING: 3651400 CPU: 11723, 0.00400779/step Wall: 11723, 0.00400779/step, 1.50136 hours remaining, 233.785156 MB of memory in use. ENERGY: 3651400 3956.2425 20479.1348 14476.6842 246.1458 -203428.0935 2414.6646 0.0000 0.0000 51733.4939 -110121.7278 297.3131 -161855.2216 -109761.8373 298.0977 24.0137 50.8853 760517.0613 -2.1007 -2.0207 PRESSURE: 3651600 -172.973 -98.2479 125.184 -98.2482 -257.799 185.474 125.184 185.473 -184.123 GPRESSURE: 3651600 -182.752 -74.3385 36.3566 -95.9261 -274.575 118.84 229.729 264.291 -80.2402 PRESSAVG: 3651600 13.831 14.4409 7.92763 14.4409 -38.5642 -39.9861 7.92766 -39.9862 -12.0787 GPRESSAVG: 3651600 12.7289 13.2632 6.96164 15.1495 -40.006 -40.0162 8.23106 -38.6768 -10.0221 TIMING: 3651600 CPU: 11723.8, 0.00401524/step Wall: 11723.8, 0.00401524/step, 1.50393 hours remaining, 233.785156 MB of memory in use. ENERGY: 3651600 4008.2154 20598.4790 14448.0667 275.2979 -203594.7618 2284.9965 0.0000 0.0000 51909.1869 -110070.5194 298.3228 -161979.7062 -109708.4007 297.9111 -204.9651 -179.1892 759536.6431 -12.2706 -12.4331 PRESSURE: 3651800 33.5035 -4.91239 107.457 -4.91181 332.625 16.129 107.457 16.1287 -119.893 GPRESSURE: 3651800 176.946 -8.78669 66.2418 -12.0021 252.172 113.397 140.635 100.366 -88.0066 PRESSAVG: 3651800 26.2575 -76.2528 45.3702 -76.2528 -32.422 51.606 45.3701 51.606 8.18324 GPRESSAVG: 3651800 27.8822 -75.4958 45.5003 -76.7178 -33.5082 50.0067 44.9242 52.4292 7.97582 TIMING: 3651800 CPU: 11724.6, 0.00401007/step Wall: 11724.6, 0.00401007/step, 1.50177 hours remaining, 233.785156 MB of memory in use. ENERGY: 3651800 3920.3664 20394.3559 14467.6239 256.3644 -203452.6792 2415.2246 0.0000 0.0000 51686.5114 -110312.2326 297.0431 -161998.7440 -109955.7522 298.1065 82.0784 113.7038 759732.0409 0.6729 0.7833 PRESSURE: 3652000 118.377 135.116 137.487 135.116 70.2357 38.8824 137.487 38.8821 -124.837 GPRESSURE: 3652000 223.398 241.87 94.4696 157.324 20.1931 126.863 194.239 154.773 -116.992 PRESSAVG: 3652000 66.4943 -51.1279 -18.7904 -51.1279 -26.2707 35.951 -18.7903 35.9509 -20.9044 GPRESSAVG: 3652000 65.878 -49.8176 -19.4977 -49.9529 -25.8644 35.9852 -16.7365 36.7153 -21.5053 TIMING: 3652000 CPU: 11725.4, 0.0040502/step Wall: 11725.4, 0.0040502/step, 1.51657 hours remaining, 233.785156 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: 3652000 3957.0477 20646.5463 14360.2505 245.6731 -203741.5175 2454.8241 0.0000 0.0000 52028.1619 -110049.0139 299.0066 -162077.1758 -109689.1406 298.0862 21.2586 42.1997 758921.2009 6.4397 6.1694 PRESSURE: 3652200 200.132 -296.801 -1.90103 -296.803 -66.7999 -151.707 -1.90018 -151.707 -7.8475 GPRESSURE: 3652200 174.845 -337.297 82.2881 -261.512 18.9573 -106.978 87.486 -18.4794 26.2951 PRESSAVG: 3652200 44.255 -24.0483 -49.8219 -24.0483 -71.6107 33.0078 -49.8219 33.0077 9.40096 GPRESSAVG: 3652200 44.4911 -25.995 -49.4361 -23.1003 -71.4177 33.2133 -51.3363 32.9494 8.77204 TIMING: 3652200 CPU: 11726.2, 0.00403942/step Wall: 11726.2, 0.00403942/step, 1.51231 hours remaining, 233.785156 MB of memory in use. ENERGY: 3652200 3935.1329 20428.7173 14423.1423 261.8557 -203513.6192 2435.8234 0.0000 0.0000 52125.8741 -109903.0736 299.5681 -162028.9477 -109541.7505 298.7182 41.8282 73.3657 759802.3903 -5.9849 -6.0515 LDB: ============= START OF LOAD BALANCING ============== 11738.7 LDB: ============== END OF LOAD BALANCING =============== 11738.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11738.7 LDB: ============= START OF LOAD BALANCING ============== 11739.1 LDB: Largest compute 7033 load 0.031561 is 16.3% of average load 0.193348 LDB: Average compute 0.004453 is 2.3% of average load 0.193348 LDB: TIME 11739.1 LOAD: AVG 0.193348 MAX 0.213933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.828 MB LDB: TIME 11739.1 LOAD: AVG 0.193348 MAX 0.213933 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.832 MB LDB: TIME 11739.1 LOAD: AVG 0.193348 MAX 0.213933 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.832 MB LDB: ============== END OF LOAD BALANCING =============== 11739.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11739.1 PRESSURE: 3652400 -24.1428 8.65881 -86.0786 8.65954 -75.4434 143.808 -86.0791 143.809 246.746 GPRESSURE: 3652400 13.4847 97.4451 -48.6143 -15.0339 -32.3197 142.388 7.25861 245.675 233.646 PRESSAVG: 3652400 11.8921 -44.859 -64.9724 -44.859 -39.7612 0.525986 -64.9725 0.525971 -4.71913 GPRESSAVG: 3652400 11.2421 -43.4411 -64.108 -47.4255 -41.2225 1.67301 -64.7091 1.21214 -2.8426 TIMING: 3652400 CPU: 11727, 0.00413706/step Wall: 11727, 0.00413706/step, 1.54864 hours remaining, 233.824219 MB of memory in use. ENERGY: 3652400 4060.4259 20519.8992 14361.9018 240.6789 -203665.6369 2671.2799 0.0000 0.0000 51830.8915 -109980.5597 297.8728 -161811.4512 -109616.9991 298.2487 49.0533 71.6037 759312.7065 -10.8628 -10.9410 PRESSURE: 3652600 199.555 -181.747 77.3494 -181.747 -294.811 74.6387 77.3489 74.639 216.963 GPRESSURE: 3652600 272.577 -199.147 -60.5806 -101.579 -269.307 136.578 59.6386 -145.495 195.62 PRESSAVG: 3652600 26.9541 -70.0478 32.7561 -70.0479 -1.41706 -7.79527 32.7561 -7.79522 -8.49555 GPRESSAVG: 3652600 27.5846 -72.4201 33.7875 -69.3127 -1.53412 -8.7537 33.03 -9.45688 -8.75805 TIMING: 3652600 CPU: 11727.8, 0.00403657/step Wall: 11727.8, 0.00403657/step, 1.5108 hours remaining, 234.082031 MB of memory in use. ENERGY: 3652600 3978.0659 20598.9491 14493.4289 231.4631 -203838.9713 2582.9084 0.0000 0.0000 51859.9206 -110094.2354 298.0397 -161954.1560 -109731.6133 298.2621 40.5690 66.2968 759410.6657 5.6805 5.7642 PRESSURE: 3652800 -215.107 32.6222 -61.1471 32.6215 104.321 64.8956 -61.1471 64.8957 116.796 GPRESSURE: 3652800 -79.6495 164.172 -71.8847 64.7501 39.8798 110.151 27.256 99.5939 104.104 PRESSAVG: 3652800 -23.6507 -11.3615 -20.1957 -11.3615 7.81368 33.5401 -20.1957 33.54 -16.9423 GPRESSAVG: 3652800 -22.5712 -8.02709 -22.0821 -11.0008 8.05457 33.8883 -21.1516 34.8636 -18.4232 TIMING: 3652800 CPU: 11728.6, 0.00401942/step Wall: 11728.6, 0.00401942/step, 1.50416 hours remaining, 234.339844 MB of memory in use. ENERGY: 3652800 4066.7950 20470.6751 14489.2936 230.9647 -203888.6405 2712.9572 0.0000 0.0000 51824.0363 -110093.9187 297.8334 -161917.9550 -109735.8796 298.6978 2.0033 21.4448 760512.0252 -10.9265 -10.9800 PRESSURE: 3653000 -364.172 -11.2689 -252.047 -11.2689 176.638 -158.761 -252.047 -158.76 -110.622 GPRESSURE: 3653000 -330.057 -41.9734 -176.429 -55.8306 197.614 -105.518 -219.671 -156.402 -88.398 PRESSAVG: 3653000 20.669 -92.954 9.04861 -92.954 -13.0603 8.01728 9.04855 8.01732 -12.8318 GPRESSAVG: 3653000 18.8269 -95.0798 10.2767 -91.2558 -13.3811 8.74601 7.11595 5.59897 -10.3975 TIMING: 3653000 CPU: 11729.4, 0.00401339/step Wall: 11729.4, 0.00401339/step, 1.50168 hours remaining, 234.339844 MB of memory in use. ENERGY: 3653000 3940.6080 20501.1817 14421.6095 261.0523 -203663.0515 2418.8840 0.0000 0.0000 51959.9388 -110159.7772 298.6145 -162119.7160 -109799.9112 298.3025 -99.3853 -73.6136 759473.6929 -1.7410 -1.6506 PRESSURE: 3653200 69.6555 -25.1848 -28.901 -25.1851 87.1447 23.0202 -28.8999 23.0205 -254.871 GPRESSURE: 3653200 171.296 -33.1184 5.87311 -138.716 46.262 34.2571 -28.9737 100.795 -226.418 PRESSAVG: 3653200 7.64187 -88.4615 -9.06442 -88.4615 3.24011 43.2579 -9.06444 43.2579 6.78163 GPRESSAVG: 3653200 7.94322 -89.2214 -9.85016 -89.3089 3.64653 42.6026 -7.79981 43.891 5.78549 TIMING: 3653200 CPU: 11730.2, 0.00402296/step Wall: 11730.2, 0.00402296/step, 1.50503 hours remaining, 234.339844 MB of memory in use. ENERGY: 3653200 3960.4042 20491.6599 14418.3803 265.2403 -203468.8926 2387.3795 0.0000 0.0000 51681.1394 -110264.6890 297.0122 -161945.8284 -109901.8235 298.0181 -32.6904 -2.9533 759551.4359 5.8879 5.7917 PRESSURE: 3653400 334.414 -208.811 -255.672 -208.811 164.789 22.4218 -255.672 22.4216 -399.354 GPRESSURE: 3653400 353.031 -122.445 -210.003 -64.0456 178.144 40.7702 -331.005 -26.9861 -363.052 PRESSAVG: 3653400 5.23457 -64.8122 -33.3811 -64.8122 -5.59138 75.0476 -33.3811 75.0477 -9.40483 GPRESSAVG: 3653400 3.56535 -60.4543 -32.7443 -68.3184 -4.65057 74.4116 -32.5698 74.9963 -8.82573 TIMING: 3653400 CPU: 11731, 0.00400639/step Wall: 11731, 0.00400639/step, 1.49861 hours remaining, 234.339844 MB of memory in use. ENERGY: 3653400 4085.0542 20452.7578 14394.0482 232.9761 -204101.1803 2790.8285 0.0000 0.0000 51936.0934 -110209.4221 298.4774 -162145.5155 -109846.1647 298.0767 33.2831 56.0413 758992.9884 -3.2539 -3.3037 PRESSURE: 3653600 -170.792 112.092 90.5052 112.093 -292.354 39.9207 90.5045 39.9212 210.451 GPRESSURE: 3653600 -99.3947 32.1105 66.593 96.8889 -237.391 29.8697 19.5628 111.062 176.946 PRESSAVG: 3653600 48.5293 -27.431 6.82213 -27.4311 -51.5809 17.4214 6.8222 17.4214 -6.31518 GPRESSAVG: 3653600 50.2254 -30.9497 6.09763 -24.7458 -53.0219 17.2254 7.89077 18.5049 -6.46975 TIMING: 3653600 CPU: 11731.8, 0.00398915/step Wall: 11731.8, 0.00398915/step, 1.49194 hours remaining, 234.339844 MB of memory in use. ENERGY: 3653600 3885.3835 20424.0062 14426.8903 234.6307 -203928.2368 2582.4359 0.0000 0.0000 52136.0446 -110238.8456 299.6266 -162374.8902 -109873.1678 297.8760 -84.2316 -53.2802 759821.3638 -3.1223 -3.0887 PRESSURE: 3653800 -95.761 25.3771 91.5426 25.3775 4.75446 96.2622 91.5428 96.2628 -605.596 GPRESSURE: 3653800 -99.2084 -36.2067 261.425 26.2162 74.714 65.7013 28.821 99.4574 -595.835 PRESSAVG: 3653800 -13.0159 -52.6556 -7.53677 -52.6556 -25.2332 34.8734 -7.5368 34.8734 6.72823 GPRESSAVG: 3653800 -13.5535 -51.7414 -7.81402 -53.7351 -24.0456 35.9139 -7.73898 33.3171 6.21109 TIMING: 3653800 CPU: 11732.6, 0.00400543/step Wall: 11732.6, 0.00400543/step, 1.49781 hours remaining, 234.339844 MB of memory in use. ENERGY: 3653800 3861.3470 20589.5654 14454.2400 271.6686 -203581.5490 2373.6096 0.0000 0.0000 51975.4468 -110055.6715 298.7036 -162031.1183 -109713.9088 297.9078 -232.2007 -206.7765 760554.8912 -10.5070 -10.4627 PRESSURE: 3654000 543.463 78.1387 -13.385 78.1391 30.0831 -185.188 -13.385 -185.188 126.212 GPRESSURE: 3654000 499.133 175.765 -16.2535 179.001 124.66 -151.994 18.5891 -173.367 169.245 PRESSAVG: 3654000 86.2226 -24.52 -15.1666 -24.52 -64.5816 -37.4772 -15.1666 -37.4772 0.958252 GPRESSAVG: 3654000 87.0745 -25.1012 -15.4545 -24.7468 -65.3355 -37.5977 -16.6249 -36.9182 0.891489 TIMING: 3654000 CPU: 11733.4, 0.0039968/step Wall: 11733.4, 0.0039968/step, 1.49436 hours remaining, 234.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3654000 3974.6393 20571.4461 14427.8311 224.3842 -203673.2021 2692.7024 0.0000 0.0000 51961.4896 -109820.7094 298.6234 -161782.1990 -109463.7893 298.3974 233.2527 264.3459 760223.7729 7.5331 7.5435 PRESSURE: 3654200 1.1619 -136.291 -28.1894 -136.292 1.5206 -144.341 -28.1908 -144.341 -70.9524 GPRESSURE: 3654200 42.3246 -155.631 30.705 -39.677 -34.5956 -152.581 -80.7156 -65.1942 -19.9819 PRESSAVG: 3654200 55.7682 -106.29 24.3984 -106.29 -46.274 48.1586 24.3983 48.1586 -22.3727 GPRESSAVG: 3654200 53.5297 -105.695 23.3273 -102.457 -45.8181 47.9696 25.9194 49.3631 -20.9107 TIMING: 3654200 CPU: 11734.2, 0.00398124/step Wall: 11734.2, 0.00398124/step, 1.48832 hours remaining, 234.339844 MB of memory in use. ENERGY: 3654200 3952.2064 20541.4395 14460.5702 248.3974 -203063.6670 2168.9909 0.0000 0.0000 52166.6690 -109525.3937 299.8026 -161692.0626 -109155.7443 299.2382 -22.7566 -4.0843 760009.2795 -4.2928 -4.3997 PRESSURE: 3654400 122.621 166.627 -281.304 166.627 -263.072 74.1721 -281.305 74.1717 96.3513 GPRESSURE: 3654400 147.984 100.771 -286.679 -25.311 -141.318 127.852 -102.305 170.63 25.2296 PRESSAVG: 3654400 4.31796 -11.2384 -33.388 -11.2384 -39.0673 12.443 -33.388 12.4429 21.9824 GPRESSAVG: 3654400 6.44519 -11.5747 -31.9682 -14.2362 -40.0172 11.5141 -33.7156 12.1126 20.8607 TIMING: 3654400 CPU: 11735, 0.00400053/step Wall: 11735, 0.00400053/step, 1.49531 hours remaining, 234.339844 MB of memory in use. ENERGY: 3654400 4031.1674 20466.1495 14445.5532 237.8231 -203302.2605 2440.8191 0.0000 0.0000 52443.2907 -109237.4575 301.3923 -161680.7482 -108882.6549 299.3591 -14.7000 10.6318 760368.2497 -4.2557 -4.2371 PRESSURE: 3654600 -208.991 -161.366 15.2674 -161.366 125.517 21.38 15.2668 21.3795 250.383 GPRESSURE: 3654600 -204.63 -223.145 5.42726 -123.666 154.392 -0.7384 -5.63574 -26.1849 313.372 PRESSAVG: 3654600 65.8656 -44.0712 -54.2019 -44.0712 -33.7063 29.9882 -54.2019 29.9882 -3.67983 GPRESSAVG: 3654600 64.7388 -43.2615 -53.5065 -45.071 -32.9123 30.713 -55.2848 29.857 -3.13072 TIMING: 3654600 CPU: 11735.8, 0.00398872/step Wall: 11735.8, 0.00398872/step, 1.49067 hours remaining, 234.351562 MB of memory in use. ENERGY: 3654600 3903.8690 20522.6764 14484.8191 240.1891 -203162.2572 2550.4515 0.0000 0.0000 51958.3954 -109501.8567 298.6056 -161460.2521 -109135.9348 299.3905 55.6363 87.7113 761540.8153 9.4932 9.5652 PRESSURE: 3654800 84.5572 54.2176 84.5913 54.218 0.425347 -24.4211 84.5917 -24.4215 122.561 GPRESSURE: 3654800 87.0995 -2.61925 21.4073 -10.1476 121.039 116.335 60.3859 -95.3906 84.989 PRESSAVG: 3654800 60.4469 -48.2854 17.0651 -48.2853 -36.9741 9.21531 17.0651 9.21523 -5.46212 GPRESSAVG: 3654800 62.5971 -48.7772 16.1131 -47.2472 -38.6057 8.78103 17.4367 8.88483 -5.63308 TIMING: 3654800 CPU: 11736.6, 0.00401016/step Wall: 11736.6, 0.00401016/step, 1.49846 hours remaining, 234.351562 MB of memory in use. ENERGY: 3654800 3974.6957 20396.1932 14448.0044 222.5597 -203581.2116 2786.0635 0.0000 0.0000 52153.1994 -109600.4956 299.7252 -161753.6951 -109245.6884 299.1529 69.1813 97.7091 760659.9024 6.0036 6.1194 PRESSURE: 3655000 -29.0478 -123.483 68.5151 -123.484 -70.4092 -120.927 68.5135 -120.926 -54.7478 GPRESSURE: 3655000 47.8194 -138.172 79.6084 -127.881 -8.30506 -162.995 -11.4978 -25.1359 -94.1819 PRESSAVG: 3655000 25.1139 -88.7064 47.2237 -88.7064 -4.87795 -38.7716 47.2238 -38.7717 36.6566 GPRESSAVG: 3655000 23.4599 -86.3272 46.163 -90.4047 -2.68246 -38.9427 48.9819 -38.7484 36.6569 TIMING: 3655000 CPU: 11737.4, 0.0040239/step Wall: 11737.4, 0.0040239/step, 1.50338 hours remaining, 234.351562 MB of memory in use. ENERGY: 3655000 3974.1889 20495.0270 14464.8540 239.6036 -203485.7416 2365.8897 0.0000 0.0000 52303.9427 -109642.2358 300.5915 -161946.1785 -109280.4475 298.7682 -51.4016 -18.2225 761633.8413 18.9642 19.1448 PRESSURE: 3655200 141.689 -47.7721 -51.9507 -47.7725 106.932 46.239 -51.9505 46.2397 94.4378 GPRESSURE: 3655200 288.575 -80.9251 28.2835 -29.9465 70.5827 64.6284 -73.3829 -102.074 55.7301 PRESSAVG: 3655200 21.4552 -17.8814 -27.0076 -17.8814 8.59017 -76.7699 -27.0076 -76.7697 14.6077 GPRESSAVG: 3655200 21.8345 -21.1361 -25.1336 -16.323 7.77338 -78.016 -29.2169 -74.5403 14.7075 TIMING: 3655200 CPU: 11738.2, 0.00398711/step Wall: 11738.2, 0.00398711/step, 1.48941 hours remaining, 234.351562 MB of memory in use. ENERGY: 3655200 3906.9462 20403.9450 14490.8086 268.3630 -203523.8630 2629.7990 0.0000 0.0000 52140.7057 -109683.2955 299.6534 -161824.0012 -109319.2997 299.1028 114.3528 138.2958 761892.3712 14.8844 14.7718 PRESSURE: 3655400 161.195 -64.5234 88.1816 -64.5236 182.796 153.829 88.1812 153.83 131.734 GPRESSURE: 3655400 211.402 28.4764 134.728 -2.48217 158.261 89.4444 84.5992 158.312 193.229 PRESSAVG: 3655400 16.1136 -34.0298 -31.0568 -34.0297 -16.9311 -11.8023 -31.0567 -11.8023 10.8215 GPRESSAVG: 3655400 17.0968 -32.4163 -31.4447 -34.3511 -17.2076 -9.85611 -29.383 -13.109 10.0809 TIMING: 3655400 CPU: 11739, 0.00398177/step Wall: 11739, 0.00398177/step, 1.48719 hours remaining, 234.351562 MB of memory in use. ENERGY: 3655400 3968.6303 20562.8202 14507.7007 238.9213 -204000.2420 2924.3932 0.0000 0.0000 52130.9691 -109666.8071 299.5974 -161797.7762 -109301.0594 298.4161 158.5748 187.6310 762372.7313 3.3347 3.3234 PRESSURE: 3655600 268.313 46.2769 59.6831 46.2766 351.285 195.751 59.6835 195.751 231.255 GPRESSURE: 3655600 310.831 9.30759 12.1471 -77.1709 388.066 202.18 206.504 151.952 236.776 PRESSAVG: 3655600 58.2096 -33.9348 13.697 -33.9347 -58.3451 -47.2785 13.697 -47.2785 -4.90489 GPRESSAVG: 3655600 57.8727 -31.9374 13.0465 -33.0823 -59.4119 -46.7523 13.3624 -48.7786 -3.13286 TIMING: 3655600 CPU: 11739.8, 0.00398983/step Wall: 11739.8, 0.00398983/step, 1.48998 hours remaining, 234.351562 MB of memory in use. ENERGY: 3655600 4033.9962 20367.5766 14499.7684 252.3850 -203598.3749 2803.0953 0.0000 0.0000 52278.3827 -109363.1707 300.4446 -161641.5535 -109001.1468 299.4167 283.6174 311.8908 761315.3230 -1.6802 -1.5574 PRESSURE: 3655800 -38.7822 240.582 20.9344 240.582 -52.2628 43.6769 20.9346 43.6783 -291.576 GPRESSURE: 3655800 23.6527 68.9099 -37.8023 291.652 -22.8509 40.7102 61.0382 56.3118 -292.346 PRESSAVG: 3655800 34.4665 -81.2277 -75.3539 -81.2277 6.79756 50.7342 -75.354 50.7342 -2.62421 GPRESSAVG: 3655800 34.067 -82.304 -74.224 -81.5961 7.6015 51.1095 -75.8101 50.2061 -3.50193 TIMING: 3655800 CPU: 11740.6, 0.00398826/step Wall: 11740.6, 0.00398826/step, 1.48917 hours remaining, 234.351562 MB of memory in use. ENERGY: 3655800 4006.8463 20500.8817 14466.1770 241.6056 -203470.4352 2538.8429 0.0000 0.0000 52399.4600 -109316.6216 301.1404 -161716.0816 -108950.5568 299.7366 -127.5404 -97.1813 761988.6349 12.8800 12.7222 PRESSURE: 3656000 232.92 -151.343 -170.406 -151.343 -374.106 -180.418 -170.405 -180.419 75.533 GPRESSURE: 3656000 218.187 -115.882 -232.139 -171.147 -261.81 -127.485 -205.98 -272.481 59.9058 PRESSAVG: 3656000 -6.59922 -66.6285 57.22 -66.6286 27.9939 0.291209 57.22 0.291181 -3.72648 GPRESSAVG: 3656000 -8.15829 -69.9362 56.2229 -67.0145 29.5022 -0.654542 56.5761 -0.538778 -4.09364 TIMING: 3656000 CPU: 11741.4, 0.00398883/step Wall: 11741.4, 0.00398883/step, 1.48916 hours remaining, 234.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3656000 4018.1550 20564.3942 14516.4627 257.6681 -203452.3270 2582.3256 0.0000 0.0000 52020.6461 -109492.6753 298.9634 -161513.3214 -109136.0749 299.3052 -21.8845 5.4278 761131.3645 5.8894 5.7501 PRESSURE: 3656200 4.06644 39.6099 103.203 39.6105 146.842 81.1488 103.203 81.1487 60.0603 GPRESSURE: 3656200 6.80606 -2.74432 78.3859 -7.09822 246.223 159.608 162.322 157.389 27.9436 PRESSAVG: 3656200 -35.1302 -57.6086 44.5529 -57.6086 -18.6361 -1.89514 44.5529 -1.89515 7.15641 GPRESSAVG: 3656200 -34.0918 -56.9984 45.5237 -56.7258 -19.4927 -1.34537 44.5857 -1.10082 7.0426 TIMING: 3656200 CPU: 11742.2, 0.00401175/step Wall: 11742.2, 0.00401175/step, 1.4975 hours remaining, 234.351562 MB of memory in use. ENERGY: 3656200 4023.9345 20618.1782 14440.4286 233.6519 -203253.1001 2371.6603 0.0000 0.0000 52180.1744 -109385.0722 299.8802 -161565.2466 -109034.9552 299.9458 70.3229 93.6577 760584.3654 -15.5366 -15.5140 LDB: ============= START OF LOAD BALANCING ============== 11754.7 LDB: ============== END OF LOAD BALANCING =============== 11754.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11754.7 LDB: ============= START OF LOAD BALANCING ============== 11755.1 LDB: Largest compute 7033 load 0.033438 is 17.3% of average load 0.193332 LDB: Average compute 0.004451 is 2.3% of average load 0.193332 LDB: TIME 11755.1 LOAD: AVG 0.193332 MAX 0.215867 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.852 MB LDB: TIME 11755.1 LOAD: AVG 0.193332 MAX 0.215867 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: TIME 11755.1 LOAD: AVG 0.193332 MAX 0.215558 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: ============== END OF LOAD BALANCING =============== 11755.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11755.1 PRESSURE: 3656400 -268.091 -257.591 -73.9888 -257.591 1.64627 -114.276 -73.9887 -114.278 640.975 GPRESSURE: 3656400 -315.74 -313.03 -131.287 -147.8 78.954 -150.308 -194.412 -114.786 696.534 PRESSAVG: 3656400 14.517 -37.7371 -0.842295 -37.7371 17.8393 -31.0037 -0.842331 -31.0037 -10.7849 GPRESSAVG: 3656400 15.57 -37.5416 -1.21487 -38.2529 15.5686 -30.1374 -0.809039 -29.5617 -9.76908 TIMING: 3656400 CPU: 11743, 0.00409831/step Wall: 11743, 0.00409831/step, 1.52958 hours remaining, 232.730469 MB of memory in use. ENERGY: 3656400 3955.6960 20420.9713 14455.4179 231.5369 -203228.8337 2610.0030 0.0000 0.0000 52105.5118 -109449.6968 299.4511 -161555.2087 -109082.0896 299.6915 124.8434 153.2494 759982.3701 7.1905 7.1232 PRESSURE: 3656600 163.284 -43.3061 95.0318 -43.3061 -79.5971 16.0727 95.0321 16.073 -150.595 GPRESSURE: 3656600 156.068 -90.0555 73.5923 -0.502307 -4.56171 45.98 36.1557 34.9215 -135.813 PRESSAVG: 3656600 28.1192 -27.8326 -15.7742 -27.8326 -52.6521 37.0554 -15.7742 37.0553 5.49866 GPRESSAVG: 3656600 25.5937 -26.5165 -14.5574 -27.6401 -49.5824 36.3238 -18.6264 36.656 4.9281 TIMING: 3656600 CPU: 11743.8, 0.00401815/step Wall: 11743.8, 0.00401815/step, 1.49944 hours remaining, 232.933594 MB of memory in use. ENERGY: 3656600 3939.8398 20509.3664 14482.1686 275.2030 -203106.6211 2264.7129 0.0000 0.0000 52011.2770 -109624.0534 298.9095 -161635.3304 -109258.9526 298.8238 -22.3027 5.2310 761026.6472 -6.3447 -6.3535 PRESSURE: 3656800 -31.7645 31.0569 60.9962 31.0585 -157.838 -72.322 60.9966 -72.3217 35.253 GPRESSURE: 3656800 44.5409 -84.3923 78.1021 147.062 -191.205 15.6929 161.304 -127.347 82.7185 PRESSAVG: 3656800 43.0709 -37.8119 43.9052 -37.8119 -31.1535 18.1861 43.9053 18.1861 20.7366 GPRESSAVG: 3656800 43.507 -37.3666 44.5508 -39.8601 -32.4374 17.4291 46.6414 18.4606 21.3877 TIMING: 3656800 CPU: 11744.6, 0.0040207/step Wall: 11744.6, 0.0040207/step, 1.50017 hours remaining, 232.933594 MB of memory in use. ENERGY: 3656800 4004.3772 20563.1388 14492.7848 248.6220 -203642.5924 2606.0986 0.0000 0.0000 52114.1967 -109613.3743 299.5010 -161727.5710 -109250.9622 298.6165 -51.4497 -21.3152 762263.4437 10.8847 10.8191 PRESSURE: 3657000 42.1501 -53.7583 107.868 -53.7584 -201.708 -16.3288 107.868 -16.3291 -475.603 GPRESSURE: 3657000 107.273 -4.48645 122.18 -68.8761 -39.5409 -44.5538 64.945 53.5018 -617.854 PRESSAVG: 3657000 46.4662 -42.8657 30.7875 -42.8657 -63.8219 62.4917 30.7875 62.4917 2.39494 GPRESSAVG: 3657000 47.0119 -44.5564 31.3029 -42.2884 -63.2323 62.0498 30.9188 60.2691 1.84254 TIMING: 3657000 CPU: 11745.4, 0.00402955/step Wall: 11745.4, 0.00402955/step, 1.50324 hours remaining, 233.074219 MB of memory in use. ENERGY: 3657000 3975.6639 20456.7923 14463.6513 238.7741 -203575.0071 2561.3924 0.0000 0.0000 52070.9864 -109807.7467 299.2527 -161878.7330 -109430.7480 298.8954 -211.7206 -183.3741 761421.4751 -4.9869 -4.7926 PRESSURE: 3657200 -241.541 152.404 5.37091 152.403 261.573 32.3924 5.37017 32.3922 -38.8669 GPRESSURE: 3657200 -133.395 77.992 -3.25007 137.222 279.554 107.153 30.8848 5.91288 -100.395 PRESSAVG: 3657200 -10.2252 -47.2316 -0.610191 -47.2316 32.8085 41.7216 -0.610268 41.7215 -12.4349 GPRESSAVG: 3657200 -9.91371 -45.6015 -2.36544 -48.2091 32.9931 41.6706 0.59336 45.0801 -12.5996 TIMING: 3657200 CPU: 11746.3, 0.00404956/step Wall: 11746.3, 0.00404956/step, 1.51048 hours remaining, 233.074219 MB of memory in use. ENERGY: 3657200 3991.1292 20577.2601 14526.1550 260.2719 -203835.4903 2776.9059 0.0000 0.0000 52048.8760 -109654.8922 299.1256 -161703.7682 -109298.1746 298.7044 -6.2783 15.2544 762034.3075 3.3828 3.4933 PRESSURE: 3657400 301.668 -43.7921 57.4346 -43.7928 361.69 -27.1247 57.4347 -27.1248 457.897 GPRESSURE: 3657400 399.563 -198.34 50.4976 -109.298 319.939 -141.93 26.4195 107.226 494.693 PRESSAVG: 3657400 -13.7768 -61.3248 -0.567949 -61.3248 -23.1872 40.8689 -0.567976 40.8689 10.9231 GPRESSAVG: 3657400 -14.1873 -63.1771 -0.942927 -59.328 -22.8077 40.7121 -0.138928 39.9773 11.3724 TIMING: 3657400 CPU: 11747.1, 0.00402638/step Wall: 11747.1, 0.00402638/step, 1.50162 hours remaining, 233.074219 MB of memory in use. ENERGY: 3657400 3960.3488 20502.4998 14480.5506 237.4716 -203865.8963 2947.3278 0.0000 0.0000 51877.0481 -109860.6496 298.1381 -161737.6977 -109506.2296 298.5305 373.7516 404.7318 761831.7995 -8.6803 -8.5408 PRESSURE: 3657600 127.328 -42.1075 -102.37 -42.1075 -209.569 -125.941 -102.369 -125.94 326.987 GPRESSURE: 3657600 226.113 -25.2357 -119.871 -91.9793 -217.349 -124.926 84.2217 -133.007 333.876 PRESSAVG: 3657600 38.2528 -5.32405 -8.27751 -5.32405 -9.67035 13.9202 -8.27757 13.9203 16.2055 GPRESSAVG: 3657600 39.5178 -1.82536 -7.26431 -7.35721 -11.2974 13.8924 -9.96255 13.3701 16.9128 TIMING: 3657600 CPU: 11747.9, 0.0040439/step Wall: 11747.9, 0.0040439/step, 1.50792 hours remaining, 233.074219 MB of memory in use. ENERGY: 3657600 3941.2839 20599.6370 14439.8255 241.6136 -203329.1987 2418.4748 0.0000 0.0000 51808.3212 -109880.0427 297.7431 -161688.3639 -109522.7446 298.6624 81.5819 114.2134 758364.3413 14.9293 15.0444 PRESSURE: 3657800 -419.343 -178.407 243.855 -178.408 98.5903 164.341 243.854 164.342 -102.375 GPRESSURE: 3657800 -374.364 -111.427 238.412 -184.928 79.768 164.092 235.46 -3.86333 -47.3744 PRESSAVG: 3657800 43.4287 -77.6044 -1.06533 -77.6044 -17.995 -7.70609 -1.0653 -7.70609 7.82621 GPRESSAVG: 3657800 43.0575 -80.5102 -1.99312 -75.4786 -17.0976 -6.33629 -0.534704 -8.94087 7.02983 TIMING: 3657800 CPU: 11748.7, 0.00404354/step Wall: 11748.7, 0.00404354/step, 1.50757 hours remaining, 233.074219 MB of memory in use. ENERGY: 3657800 3940.8875 20526.2406 14454.9616 243.4391 -203352.2596 2523.4695 0.0000 0.0000 51723.6161 -109939.6451 297.2563 -161663.2612 -109582.4022 298.7533 -141.0427 -113.9900 760590.3475 11.0867 10.9966 PRESSURE: 3658000 63.3151 191.062 110.112 191.062 -83.1703 32.2696 110.112 32.2692 36.7236 GPRESSURE: 3658000 134.373 78.0845 141.132 77.1127 -64.4386 53.1627 70.6133 55.1438 38.8502 PRESSAVG: 3658000 24.0255 -50.6984 23.0219 -50.6985 -12.0734 -7.4144 23.0219 -7.41441 10.9513 GPRESSAVG: 3658000 24.5451 -50.9771 22.2853 -50.8998 -12.6941 -7.60562 24.1562 -6.21361 11.3729 TIMING: 3658000 CPU: 11749.5, 0.0040625/step Wall: 11749.5, 0.0040625/step, 1.51441 hours remaining, 233.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3658000 3996.4118 20445.1071 14459.8832 267.1693 -203441.7133 2651.0152 0.0000 0.0000 51972.0567 -109650.0700 298.6841 -161622.1267 -109288.1842 298.4701 5.6228 36.2617 760452.1092 7.6345 7.7413 PRESSURE: 3658200 90.8017 -114.05 -106.04 -114.05 264.344 -114.617 -106.039 -114.617 376.698 GPRESSURE: 3658200 169.878 -108.817 -96.132 -3.12158 274.552 -21.0301 -14.1715 -166.49 386.784 PRESSAVG: 3658200 16.4698 -40.9803 -52.6404 -40.9803 -28.5718 75.8712 -52.6404 75.8712 -7.91973 GPRESSAVG: 3658200 14.8415 -39.9577 -52.6094 -40.9546 -27.425 75.5325 -53.0997 73.5028 -7.63185 TIMING: 3658200 CPU: 11750.3, 0.00404332/step Wall: 11750.3, 0.00404332/step, 1.50704 hours remaining, 233.074219 MB of memory in use. ENERGY: 3658200 4002.5839 20459.7521 14485.1430 256.9564 -203364.1846 2472.0112 0.0000 0.0000 51986.0607 -109701.6773 298.7646 -161687.7379 -109340.5474 298.8023 243.9478 277.0714 760753.4587 -6.6739 -6.7384 PRESSURE: 3658400 26.893 -46.3474 -83.9302 -46.348 -100.457 -314.166 -83.9302 -314.167 -454.431 GPRESSURE: 3658400 14.7314 111.48 -52.4614 -72.1956 -81.5995 -246.986 -50.1666 -238.317 -364.949 PRESSAVG: 3658400 38.6979 -49.1676 15.5827 -49.1676 -83.333 43.9624 15.5827 43.9624 23.8313 GPRESSAVG: 3658400 39.0369 -49.4565 13.5392 -50.9675 -83.2997 44.0973 15.8966 46.061 23.5396 TIMING: 3658400 CPU: 11751.1, 0.00406011/step Wall: 11751.1, 0.00406011/step, 1.51307 hours remaining, 233.074219 MB of memory in use. ENERGY: 3658400 3991.7405 20295.0387 14525.4207 258.8669 -203169.2395 2398.4043 0.0000 0.0000 52075.2124 -109624.5559 299.2770 -161699.7684 -109251.8928 298.5597 -175.9981 -143.9389 760507.0635 -6.9346 -6.9077 PRESSURE: 3658600 -302.904 126.171 -112.496 126.172 -76.2325 -136.479 -112.496 -136.479 -69.2118 GPRESSURE: 3658600 -322.718 -73.1864 -44.2491 -94.6588 -36.7226 -114.257 -166.379 -167.296 6.28239 PRESSAVG: 3658600 -0.768649 -83.33 -21.2643 -83.33 -45.4472 57.8461 -21.2643 57.8461 -10.1724 GPRESSAVG: 3658600 -0.465341 -82.905 -18.712 -81.3658 -45.8645 57.6009 -21.3779 56.9877 -9.94362 TIMING: 3658600 CPU: 11751.9, 0.00400118/step Wall: 11751.9, 0.00400118/step, 1.49088 hours remaining, 233.074219 MB of memory in use. ENERGY: 3658600 3983.4586 20362.3202 14499.6112 234.3387 -202851.1672 2174.1595 0.0000 0.0000 51888.4676 -109708.8113 298.2037 -161597.2790 -109343.2813 298.7270 -149.4495 -117.7195 761994.9538 -18.7961 -18.7578 PRESSURE: 3658800 -207.888 33.0054 -57.1004 33.0057 49.7654 -275.849 -57.0999 -275.85 -411.431 GPRESSURE: 3658800 -230.227 63.5239 -45.0531 122.384 118.944 -274.428 -94.8225 -237.655 -368.113 PRESSAVG: 3658800 -9.38597 -25.0634 -9.10326 -25.0633 -23.0228 39.2628 -9.10327 39.2628 -6.56728 GPRESSAVG: 3658800 -10.3855 -24.1838 -7.52218 -27.3088 -22.035 40.3501 -10.9999 40.1718 -7.32819 TIMING: 3658800 CPU: 11752.7, 0.00400309/step Wall: 11752.7, 0.00400309/step, 1.49137 hours remaining, 233.074219 MB of memory in use. ENERGY: 3658800 3966.7869 20345.5724 14423.8393 245.2833 -203079.4459 2307.1882 0.0000 0.0000 52020.1004 -109770.6753 298.9602 -161790.7757 -109417.0558 298.6420 -189.8512 -159.7990 762205.3682 -12.9920 -13.2495 PRESSURE: 3659000 31.6273 -234.794 118.412 -234.795 231.011 144.457 118.411 144.457 -185.113 GPRESSURE: 3659000 25.0184 -190.99 83.7344 -181.303 188.933 174.565 148.681 20.527 -49.7924 PRESSAVG: 3659000 41.315 -38.0378 6.34867 -38.0378 -49.8251 4.37651 6.34864 4.37656 20.7472 GPRESSAVG: 3659000 41.7465 -38.1955 4.44929 -36.86 -52.0916 4.5403 5.90106 4.03926 22.2915 TIMING: 3659000 CPU: 11753.5, 0.00399404/step Wall: 11753.5, 0.00399404/step, 1.48778 hours remaining, 233.074219 MB of memory in use. ENERGY: 3659000 3942.0532 20519.8327 14403.7836 249.7957 -203526.2556 2537.8544 0.0000 0.0000 52251.8142 -109621.1219 300.2919 -161872.9361 -109265.7586 299.2565 25.8417 54.7197 762189.9678 4.0790 3.9821 PRESSURE: 3659200 -282.295 -127.706 91.9396 -127.705 143.935 71.0401 91.9404 71.0394 5.8328 GPRESSURE: 3659200 -193.417 -206.224 166.388 -160.323 199.913 -43.8515 -58.8712 145.321 -36.3796 PRESSAVG: 3659200 2.25201 -59.4369 -33.0088 -59.4369 -10.15 35.1671 -33.0087 35.1671 -25.1118 GPRESSAVG: 3659200 2.40656 -61.3113 -31.9763 -59.268 -8.30406 35.0593 -32.5609 34.5761 -27.398 TIMING: 3659200 CPU: 11754.3, 0.00400677/step Wall: 11754.3, 0.00400677/step, 1.4923 hours remaining, 233.074219 MB of memory in use. ENERGY: 3659200 4042.2197 20442.0518 14512.3782 255.8001 -203642.4724 2627.6220 0.0000 0.0000 52041.6373 -109720.7633 299.0840 -161762.4006 -109363.7523 299.1591 -44.1760 -9.9614 760704.2424 -11.0033 -11.0985 PRESSURE: 3659400 -300.327 -103.4 -133.201 -103.399 -278.608 241.752 -133.201 241.752 -201.055 GPRESSURE: 3659400 -265.659 -146.453 -19.1773 -62.853 -186.326 187.09 -175.437 312.7 -223.834 PRESSAVG: 3659400 19.5257 -58.2203 11.8981 -58.2203 0.870881 44.4776 11.8981 44.4776 4.84657 GPRESSAVG: 3659400 19.0672 -58.4439 10.5708 -59.5285 -0.160019 44.8987 11.773 45.9151 6.34578 TIMING: 3659400 CPU: 11755.1, 0.00399873/step Wall: 11755.1, 0.00399873/step, 1.48908 hours remaining, 233.074219 MB of memory in use. ENERGY: 3659400 3971.9409 20459.7174 14460.1677 239.7095 -203535.8768 2518.3680 0.0000 0.0000 51869.9413 -110016.0318 298.0973 -161885.9732 -109647.2662 298.5320 -259.9968 -225.2731 760469.6226 8.4144 8.4177 PRESSURE: 3659600 -81.6379 -149.698 -19.0387 -149.698 -458.929 70.955 -19.0382 70.9553 -48.2004 GPRESSURE: 3659600 -86.6644 -79.5753 -37.4463 -125.603 -436.21 128.342 27.0978 69.3337 7.784 PRESSAVG: 3659600 -11.6487 -56.7578 -37.402 -56.7578 -2.12176 47.5035 -37.402 47.5035 6.4938 GPRESSAVG: 3659600 -11.0092 -54.8705 -36.3879 -56.0656 -1.62937 47.5205 -36.093 46.1583 5.72638 TIMING: 3659600 CPU: 11755.9, 0.00397481/step Wall: 11755.9, 0.00397481/step, 1.47996 hours remaining, 233.074219 MB of memory in use. ENERGY: 3659600 4011.2094 20539.8397 14453.9864 245.7528 -203135.1203 2115.8535 0.0000 0.0000 51803.4267 -109965.0518 297.7150 -161768.4784 -109598.8597 297.9434 -196.2559 -171.6969 761264.8540 -2.4256 -2.3041 PRESSURE: 3659800 30.5359 -38.384 -180.384 -38.3841 -501.454 47.5091 -180.384 47.5102 118.259 GPRESSURE: 3659800 11.2024 66.3812 -196.852 -50.0623 -471.577 1.35829 -68.3473 -73.7349 188.127 PRESSAVG: 3659800 31.4812 -47.3184 23.7269 -47.3185 -16.4579 29.8274 23.7269 29.8275 -6.48568 GPRESSAVG: 3659800 32.1589 -47.9055 22.4088 -45.8711 -17.3765 28.4157 24.6995 31.0379 -5.92981 TIMING: 3659800 CPU: 11756.7, 0.00402987/step Wall: 11756.7, 0.00402987/step, 1.50023 hours remaining, 233.074219 MB of memory in use. ENERGY: 3659800 4049.9131 20362.6210 14438.7670 249.3018 -203198.3312 2347.6542 0.0000 0.0000 51839.5537 -109910.5203 297.9226 -161750.0740 -109541.0506 298.6593 -117.5530 -90.7493 761213.8531 2.8459 2.9508 PRESSURE: 3660000 -160.682 62.4194 46.0033 62.4194 79.0163 -160.678 46.0021 -160.677 1.17889 GPRESSURE: 3660000 -47.1037 95.026 28.2222 84.2184 65.6797 -125.233 -47.5201 -155.003 -14.7107 PRESSAVG: 3660000 14.6175 -64.9082 40.0872 -64.9082 -13.2764 -27.0982 40.0871 -27.0983 -4.86786 GPRESSAVG: 3660000 13.6541 -64.59 41.6141 -65.4871 -12.5945 -26.1138 38.4124 -28.1248 -4.94544 TIMING: 3660000 CPU: 11757.5, 0.00404878/step Wall: 11757.5, 0.00404878/step, 1.50704 hours remaining, 233.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3660000 3934.8895 20405.1729 14500.9599 255.9303 -203503.0884 2418.1530 0.0000 0.0000 51958.3294 -110029.6533 298.6052 -161987.9827 -109666.3620 298.3452 -26.8290 1.2884 762122.5239 -1.1756 -1.2953 PRESSURE: 3660200 87.1046 242.752 12.277 242.751 -252.381 -174.931 12.2771 -174.93 110.639 GPRESSURE: 3660200 94.853 156.168 -113.127 145.839 -254.997 -155.924 143.078 -107.092 199.019 PRESSAVG: 3660200 27.5872 -52.6579 -6.28626 -52.6579 -56.6572 24.6495 -6.28622 24.6494 15.1355 GPRESSAVG: 3660200 27.1696 -53.0633 -7.35749 -52.059 -57.3638 23.2912 -7.00947 27.4149 16.709 TIMING: 3660200 CPU: 11758.3, 0.00400793/step Wall: 11758.3, 0.00400793/step, 1.49162 hours remaining, 233.074219 MB of memory in use. ENERGY: 3660200 3984.8866 20408.4673 14448.3633 250.5243 -203004.2352 2120.7013 0.0000 0.0000 51759.3815 -110031.9109 297.4619 -161791.2924 -109667.8607 298.1660 -18.2124 12.9585 760232.8547 -4.6448 -4.4951 LDB: ============= START OF LOAD BALANCING ============== 11770.8 LDB: ============== END OF LOAD BALANCING =============== 11770.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11770.8 LDB: ============= START OF LOAD BALANCING ============== 11771.2 LDB: Largest compute 7033 load 0.031551 is 16.3% of average load 0.193313 LDB: Average compute 0.004455 is 2.3% of average load 0.193313 LDB: TIME 11771.2 LOAD: AVG 0.193313 MAX 0.215499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.801 MB LDB: TIME 11771.2 LOAD: AVG 0.193313 MAX 0.215499 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: TIME 11771.2 LOAD: AVG 0.193313 MAX 0.215499 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB 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: 3660400 223.659 -216.929 -447.861 -216.929 15.7956 86.4416 -447.861 86.4423 49.4936 GPRESSURE: 3660400 193.041 -208.921 -322.128 -49.3633 69.8151 27.6655 -360.142 101.91 111.663 PRESSAVG: 3660400 7.23018 -50.8709 -4.55612 -50.8709 -8.35165 -19.2381 -4.55605 -19.2381 -2.17935 GPRESSAVG: 3660400 7.06821 -49.3537 -5.87537 -50.3194 -7.47725 -16.4897 -3.67778 -21.7984 -3.03519 TIMING: 3660400 CPU: 11759.1, 0.00409137/step Wall: 11759.1, 0.00409137/step, 1.52244 hours remaining, 233.570312 MB of memory in use. ENERGY: 3660400 3995.1531 20571.9034 14492.5554 244.2362 -203718.8697 2688.4068 0.0000 0.0000 51777.9723 -109948.6426 297.5687 -161726.6148 -109587.8192 297.7223 96.3162 124.8398 758700.6110 -1.1003 -1.1481 PRESSURE: 3660600 -139.664 -265.539 -31.7684 -265.54 -179.618 67.2743 -31.7685 67.2734 201.685 GPRESSURE: 3660600 -38.048 -129.734 -122.094 -270.329 -156.59 108.64 -69.3307 97.1737 176.061 PRESSAVG: 3660600 -41.5224 -72.134 -10.6363 -72.134 -11.6379 7.14356 -10.6362 7.1436 14.8475 GPRESSAVG: 3660600 -42.2485 -72.6618 -10.248 -74.1703 -10.8142 6.22374 -7.95878 7.19106 15.3763 TIMING: 3660600 CPU: 11759.9, 0.00400147/step Wall: 11759.9, 0.00400147/step, 1.48877 hours remaining, 233.570312 MB of memory in use. ENERGY: 3660600 3973.3310 20455.7943 14434.0717 240.8114 -202966.9247 2195.9963 0.0000 0.0000 51619.3376 -110047.5825 296.6570 -161666.9200 -109685.7172 298.2905 -39.1990 -6.1922 759491.7724 -12.7709 -12.5621 PRESSURE: 3660800 20.708 94.9656 -109.004 94.9662 -74.1822 -41.1171 -109.003 -41.1171 -29.9689 GPRESSURE: 3660800 211.026 23.0283 -28.5904 132.858 -168.302 -31.1794 -192.414 -129.305 -45.0593 PRESSAVG: 3660800 48.2543 10.114 40.6642 10.114 -24.2167 -17.9925 40.6642 -17.9924 -4.08035 GPRESSAVG: 3660800 50.0402 9.21725 41.9215 10.0306 -25.4879 -19.3043 39.5951 -18.3818 -4.96549 TIMING: 3660800 CPU: 11760.7, 0.00399649/step Wall: 11760.7, 0.00399649/step, 1.48669 hours remaining, 233.570312 MB of memory in use. ENERGY: 3660800 3881.1011 20444.1038 14482.5300 239.2540 -203453.4795 2510.3349 0.0000 0.0000 52003.1095 -109893.0462 298.8626 -161896.1558 -109519.5808 298.1201 -27.8144 -0.7784 759217.9339 6.6524 6.5289 PRESSURE: 3661000 88.7077 -127.651 241.968 -127.651 -215.529 153.323 241.967 153.324 91.7065 GPRESSURE: 3661000 45.0515 10.2706 254.067 -85.081 -87.1726 167.817 149.92 150.369 98.3395 PRESSAVG: 3661000 11.8884 -74.5647 2.52518 -74.5646 27.29 -7.84181 2.52515 -7.8418 -1.7891 GPRESSAVG: 3661000 12.3111 -72.9754 1.04049 -73.6622 27.0441 -5.43383 2.20126 -5.79084 -1.53536 TIMING: 3661000 CPU: 11761.5, 0.00401548/step Wall: 11761.5, 0.00401548/step, 1.49354 hours remaining, 233.570312 MB of memory in use. ENERGY: 3661000 3984.0843 20591.4180 14413.2679 240.0531 -203143.7612 2197.4075 0.0000 0.0000 51907.0876 -109810.4428 298.3107 -161717.5304 -109442.4035 298.7220 -11.7049 18.7395 760548.4541 12.4631 12.6066 PRESSURE: 3661200 -172.581 93.8572 58.9189 93.858 -219.849 -21.6268 58.9188 -21.627 -118.122 GPRESSURE: 3661200 -85.7261 72.939 27.4022 -35.606 -167.953 -35.1685 -32.561 -58.8703 -194.235 PRESSAVG: 3661200 45.6654 -48.3623 -13.922 -48.3623 -2.30993 -36.9513 -13.922 -36.9513 7.34266 GPRESSAVG: 3661200 44.6659 -49.5362 -13.0707 -49.6802 -1.2648 -38.3092 -12.35 -39.7177 7.167 TIMING: 3661200 CPU: 11762.3, 0.00399937/step Wall: 11762.3, 0.00399937/step, 1.48732 hours remaining, 233.570312 MB of memory in use. ENERGY: 3661200 3930.1665 20576.9066 14442.3647 258.5948 -203533.7538 2477.5186 0.0000 0.0000 52015.0326 -109833.1701 298.9311 -161848.2026 -109472.6737 298.5630 -170.1839 -149.3047 760073.9697 16.8994 16.8560 PRESSURE: 3661400 -76.4003 -92.4874 6.30831 -92.487 -242.817 49.9059 6.30899 49.9066 -285.871 GPRESSURE: 3661400 -35.768 -65.955 -49.6412 -77.1187 -245.455 -93.5505 -4.76862 137.5 -235.256 PRESSAVG: 3661400 -1.6986 -54.8817 0.297557 -54.8817 -27.4878 -44.9979 0.297584 -44.998 -2.18698 GPRESSAVG: 3661400 -1.30049 -55.3866 -0.153974 -52.5843 -27.4523 -45.5558 0.378015 -43.4325 -2.06701 TIMING: 3661400 CPU: 11763.1, 0.0039954/step Wall: 11763.1, 0.0039954/step, 1.48562 hours remaining, 233.570312 MB of memory in use. ENERGY: 3661400 4009.8676 20678.9797 14497.2675 245.6211 -203875.5784 2719.0787 0.0000 0.0000 52073.8075 -109650.9563 299.2689 -161724.7638 -109285.6722 298.7811 -201.6961 -172.1599 760315.0890 -10.4578 -10.2733 PRESSURE: 3661600 -27.0171 94.5074 -73.4311 94.5073 -73.8422 -102.941 -73.4311 -102.941 -71.756 GPRESSURE: 3661600 13.493 49.6035 -8.41096 -3.53929 -32.7193 -81.6435 -2.63495 -189.751 -52.5533 PRESSAVG: 3661600 8.35543 -81.1344 -20.5267 -81.1344 -2.76255 25.3021 -20.5267 25.3019 -1.067 GPRESSAVG: 3661600 9.12988 -80.3486 -19.1252 -82.4085 -3.43555 25.272 -21.4718 23.9942 -1.43437 TIMING: 3661600 CPU: 11763.9, 0.0040084/step Wall: 11763.9, 0.0040084/step, 1.49023 hours remaining, 233.570312 MB of memory in use. ENERGY: 3661600 4020.6442 20440.5482 14484.3200 239.1552 -203252.9906 2489.0201 0.0000 0.0000 52045.2064 -109534.0965 299.1045 -161579.3029 -109169.4892 299.0760 -57.5385 -23.9266 761017.2909 1.5086 1.4200 PRESSURE: 3661800 -247.457 -202.571 38.2524 -202.571 53.7809 -14.2785 38.2525 -14.2788 48.5512 GPRESSURE: 3661800 -198.478 -227.56 -23.3219 -123.897 76.8359 -8.02534 86.5204 44.3315 89.1794 PRESSAVG: 3661800 20.1172 -14.2845 -27.1462 -14.2844 -2.77516 35.9848 -27.1462 35.9848 19.1674 GPRESSAVG: 3661800 18.4076 -13.5745 -28.1817 -15.7537 -1.73907 36.903 -28.0945 35.383 19.3772 TIMING: 3661800 CPU: 11764.7, 0.00400464/step Wall: 11764.7, 0.00400464/step, 1.48861 hours remaining, 233.570312 MB of memory in use. ENERGY: 3661800 3958.2302 20509.6954 14509.1376 242.9540 -203143.1700 2410.1827 0.0000 0.0000 51750.3923 -109762.5778 297.4102 -161512.9701 -109395.9081 299.0276 -48.3750 -10.8209 760676.0667 12.1698 12.0152 PRESSURE: 3662000 -260.806 -211.761 171.171 -211.761 -336.09 -71.519 171.17 -71.5192 -188.392 GPRESSURE: 3662000 -166.77 -39.4929 71.7175 -160.018 -290.765 -83.1415 218.16 -90.2607 -220.959 PRESSAVG: 3662000 -9.0164 -22.3827 -35.271 -22.3828 -38.1783 5.33016 -35.271 5.3302 -10.1281 GPRESSAVG: 3662000 -8.24618 -20.9643 -33.1778 -22.2716 -39.2294 6.20924 -33.7148 4.12861 -10.0333 TIMING: 3662000 CPU: 11765.5, 0.00400883/step Wall: 11765.5, 0.00400883/step, 1.48995 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3662000 3951.7190 20534.0158 14509.0484 264.0265 -203115.6885 2183.6779 0.0000 0.0000 51903.7134 -109769.4874 298.2914 -161673.2009 -109407.3256 298.3778 -261.7627 -226.1646 762895.4285 -19.1076 -19.1696 PRESSURE: 3662200 82.0965 -44.8768 14.0528 -44.8774 -294.023 -154.635 14.0533 -154.635 -243.248 GPRESSURE: 3662200 74.9229 -111.626 -13.8484 112.727 -280.133 -131.585 98.0181 -133.808 -174.513 PRESSAVG: 3662200 81.5844 -23.4074 3.72491 -23.4073 -65.7575 14.3666 3.72481 14.3665 3.24476 GPRESSAVG: 3662200 82.119 -27.7326 1.84313 -21.4208 -66.9526 13.1768 4.25947 15.3752 4.41105 TIMING: 3662200 CPU: 11766.4, 0.00404417/step Wall: 11766.4, 0.00404417/step, 1.50286 hours remaining, 233.570312 MB of memory in use. ENERGY: 3662200 3993.2205 20420.1668 14549.1721 268.0796 -203517.1810 2486.5423 0.0000 0.0000 52023.9228 -109776.0769 298.9822 -161799.9997 -109414.0133 298.6085 -151.7248 -126.5745 761287.3635 6.3572 6.5258 PRESSURE: 3662400 21.2548 -84.6596 -103.648 -84.6588 -184.602 276.33 -103.647 276.331 -222.086 GPRESSURE: 3662400 98.0502 -44.8474 -161.058 -120.23 -79.5481 302.056 -115.285 246.509 -311.288 PRESSAVG: 3662400 33.0141 -61.4527 -28.3262 -61.4527 -50.8324 17.373 -28.3263 17.373 -1.71865 GPRESSAVG: 3662400 32.4894 -60.4289 -28.8139 -61.6568 -49.65 16.9505 -28.067 17.4689 -2.72246 TIMING: 3662400 CPU: 11767.2, 0.00401426/step Wall: 11767.2, 0.00401426/step, 1.49152 hours remaining, 233.570312 MB of memory in use. ENERGY: 3662400 4046.7540 20494.3818 14537.7005 265.1013 -203745.5382 2685.0464 0.0000 0.0000 52010.7855 -109705.7688 298.9067 -161716.5543 -109347.0869 299.0302 -128.4779 -97.5954 760744.0479 -6.5123 -6.6277 PRESSURE: 3662600 610.358 -42.2924 74.2161 -42.2922 260.868 66.9048 74.2153 66.9053 639.27 GPRESSURE: 3662600 642.547 -180.199 58.2502 -206.928 365.543 51.3702 91.1 22.9437 600.649 PRESSAVG: 3662600 32.8104 -35.4716 10.5663 -35.4717 -29.0303 -0.0899735 10.5662 -0.0899545 -20.7231 GPRESSAVG: 3662600 32.3993 -35.1504 10.2055 -36.7249 -28.2353 -0.68986 9.04929 -0.38034 -21.697 TIMING: 3662600 CPU: 11768, 0.00400099/step Wall: 11768, 0.00400099/step, 1.48637 hours remaining, 233.570312 MB of memory in use. ENERGY: 3662600 3964.5447 20464.8987 14520.7943 232.0938 -204168.9581 3040.5468 0.0000 0.0000 52103.5638 -109842.5161 299.4399 -161946.0799 -109478.4505 298.8669 503.4987 536.2463 759164.1029 -5.6477 -5.8443 PRESSURE: 3662800 -41.7684 -298.407 151.181 -298.406 -127.631 216.773 151.181 216.773 -327.829 GPRESSURE: 3662800 29.3749 -185.515 88.5093 -249.644 -86.8208 178.333 139.585 304.16 -351.901 PRESSAVG: 3662800 61.9812 -68.9313 -8.58338 -68.9313 0.493893 -21.9321 -8.58329 -21.9323 2.64188 GPRESSAVG: 3662800 61.3815 -67.1553 -7.87729 -69.5793 0.670407 -21.6336 -8.4901 -21.5671 2.71801 TIMING: 3662800 CPU: 11768.8, 0.00397755/step Wall: 11768.8, 0.00397755/step, 1.47744 hours remaining, 233.570312 MB of memory in use. ENERGY: 3662800 3882.5391 20407.0987 14521.9421 250.1189 -203885.5411 2762.2789 0.0000 0.0000 52106.4093 -109955.1541 299.4563 -162061.5634 -109589.1436 298.5908 -165.7427 -136.4489 760582.2606 21.7057 21.5900 PRESSURE: 3663000 -97.7295 -207.43 -129.574 -207.429 249.861 -106.017 -129.573 -106.016 -252.108 GPRESSURE: 3663000 -92.9072 -144.808 -69.9363 -109.408 245.059 20.0783 -102.183 -139.124 -177.094 PRESSAVG: 3663000 -40.1376 -39.7872 -35.8212 -39.7873 30.4457 2.53654 -35.8212 2.53654 9.56772 GPRESSAVG: 3663000 -39.5946 -40.3161 -34.8989 -38.6809 29.7793 3.08651 -35.895 4.29901 10.3874 TIMING: 3663000 CPU: 11769.6, 0.0039955/step Wall: 11769.6, 0.0039955/step, 1.48388 hours remaining, 233.570312 MB of memory in use. ENERGY: 3663000 4038.6751 20588.6337 14557.0338 223.0776 -203696.0979 2688.5743 0.0000 0.0000 51705.6370 -109894.4663 297.1530 -161600.1033 -109546.1891 298.5259 -33.3256 -8.3142 760377.2335 -0.0414 0.1907 PRESSURE: 3663200 -3.70285 84.021 96.0891 84.0206 342.463 -31.5547 96.0896 -31.5545 74.9377 GPRESSURE: 3663200 152.757 92.5013 121.732 -39.4547 306.453 -144.106 77.9327 -39.815 28.2987 PRESSAVG: 3663200 25.8898 -69.2954 -17.1606 -69.2955 -69.3909 9.12374 -17.1605 9.1237 9.72452 GPRESSAVG: 3663200 25.6807 -69.4555 -18.0007 -69.1957 -69.4875 8.02581 -16.8539 8.21571 9.75508 TIMING: 3663200 CPU: 11770.3, 0.00398244/step Wall: 11770.3, 0.00398244/step, 1.47881 hours remaining, 233.570312 MB of memory in use. ENERGY: 3663200 3930.2301 20512.1340 14572.8419 219.4471 -203994.4712 2907.8545 0.0000 0.0000 52108.4451 -109743.5185 299.4680 -161851.9636 -109384.5790 298.1428 137.8994 162.5030 760973.3121 -11.2588 -11.3506 PRESSURE: 3663400 -327.837 235.631 -125.424 235.631 0.379047 16.4639 -125.424 16.4647 -128.624 GPRESSURE: 3663400 -135.864 278.339 -111.838 196.052 -129.315 29.9822 -205.764 -147.744 -103.221 PRESSAVG: 3663400 -4.76283 -7.66398 2.48372 -7.66388 16.9831 9.70707 2.4837 9.70717 11.0771 GPRESSAVG: 3663400 -3.65952 -7.69427 3.14142 -7.34929 15.1309 13.7179 2.08831 6.93251 11.6378 TIMING: 3663400 CPU: 11771.2, 0.00403776/step Wall: 11771.2, 0.00403776/step, 1.49913 hours remaining, 233.570312 MB of memory in use. ENERGY: 3663400 4022.3709 20546.2602 14551.5471 245.1327 -203490.3350 2548.4441 0.0000 0.0000 52038.9198 -109537.6602 299.0684 -161576.5800 -109173.9705 298.9262 -152.0273 -122.7997 761575.9244 7.7658 7.7031 PRESSURE: 3663600 125.619 53.5274 -22.9504 53.5272 -447.458 179.555 -22.9496 179.555 -528.145 GPRESSURE: 3663600 198.22 11.7 -27.0961 25.7 -417.325 137.946 -22.683 110.879 -534.387 PRESSAVG: 3663600 27.501 -61.3167 16.3462 -61.3167 -52.2116 -55.2215 16.3463 -55.2214 -24.6321 GPRESSAVG: 3663600 27.8578 -64.2492 15.0538 -60.0413 -51.4097 -57.3512 15.1414 -55.8324 -25.8582 TIMING: 3663600 CPU: 11772, 0.00400099/step Wall: 11772, 0.00400099/step, 1.48526 hours remaining, 233.570312 MB of memory in use. ENERGY: 3663600 4059.5619 20554.4083 14522.1807 236.4054 -203432.5809 2381.5536 0.0000 0.0000 52191.2609 -109487.2101 299.9439 -161678.4710 -109117.4388 299.6642 -283.3283 -251.1640 760138.1109 -16.4476 -16.4700 PRESSURE: 3663800 17.0567 -216.918 -84.4108 -216.919 157.988 -216.686 -84.4097 -216.687 -185.001 GPRESSURE: 3663800 33.9164 -164.186 -108.532 -71.7682 164.007 -280.087 65.2365 -175.299 -126.476 PRESSAVG: 3663800 -2.81013 -34.8349 -6.41993 -34.8349 16.4711 -39.9905 -6.41999 -39.9905 3.04482 GPRESSAVG: 3663800 -2.72842 -30.0744 -5.27559 -37.3925 15.9133 -41.5757 -4.77159 -39.81 3.52948 TIMING: 3663800 CPU: 11772.8, 0.00397257/step Wall: 11772.8, 0.00397257/step, 1.47449 hours remaining, 233.773438 MB of memory in use. ENERGY: 3663800 4013.5389 20516.7833 14527.6954 244.9442 -203462.9888 2543.4678 0.0000 0.0000 52255.0223 -109361.5368 300.3103 -161616.5591 -109001.8116 299.9712 -3.3188 23.8157 758813.9053 5.5686 5.5714 PRESSURE: 3664000 -224.82 -3.92125 -63.7358 -3.92131 -230.662 -153.279 -63.737 -153.278 -169.948 GPRESSURE: 3664000 -254.595 57.5944 -151.11 -117.071 -121.058 -186.524 -32.7691 -129.639 -190.554 PRESSAVG: 3664000 16.1911 -6.40969 2.23798 -6.40963 -4.66837 -11.577 2.23799 -11.5769 -2.27812 GPRESSAVG: 3664000 14.5191 -8.77535 2.51216 -4.85075 -3.84583 -12.0748 -0.0889273 -9.62155 -1.4491 TIMING: 3664000 CPU: 11773.5, 0.00397076/step Wall: 11773.5, 0.00397076/step, 1.47359 hours remaining, 233.773438 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: 3664000 4019.9402 20525.9816 14518.1349 233.7452 -202998.8535 2160.3106 0.0000 0.0000 51974.7434 -109565.9976 298.6996 -161540.7410 -109195.2999 299.6381 -208.4766 -188.7356 760241.5877 3.0815 3.0747 PRESSURE: 3664200 -237.991 -227.205 -112.215 -227.206 -256.486 205.006 -112.214 205.006 63.0681 GPRESSURE: 3664200 -231.31 -82.7991 -156.014 -272.021 -163.509 216.966 3.15361 269.885 52.2505 PRESSAVG: 3664200 39.7542 -34.0252 3.69654 -34.0251 -40.6529 48.5201 3.69653 48.5202 24.4572 GPRESSAVG: 3664200 39.1816 -34.2351 3.19449 -32.6245 -39.179 50.1952 4.17807 46.7226 23.5692 TIMING: 3664200 CPU: 11774.3, 0.00399386/step Wall: 11774.3, 0.00399386/step, 1.48194 hours remaining, 233.773438 MB of memory in use. ENERGY: 3664200 3922.3298 20540.6536 14480.5536 264.9160 -202958.0278 2123.9793 0.0000 0.0000 52122.3758 -109503.2197 299.5480 -161625.5955 -109142.8309 299.1732 -143.8031 -114.1895 762398.7934 7.8528 7.8572 LDB: ============= START OF LOAD BALANCING ============== 11786.8 LDB: ============== END OF LOAD BALANCING =============== 11786.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11786.8 LDB: ============= START OF LOAD BALANCING ============== 11787.2 LDB: Largest compute 7036 load 0.032558 is 16.8% of average load 0.193272 LDB: Average compute 0.004461 is 2.3% of average load 0.193272 LDB: TIME 11787.3 LOAD: AVG 0.193272 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 11787.3 LOAD: AVG 0.193272 MAX 0.216283 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.719 MB LDB: TIME 11787.3 LOAD: AVG 0.193272 MAX 0.213588 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.719 MB LDB: ============== END OF LOAD BALANCING =============== 11787.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11787.3 PRESSURE: 3664400 100.751 163.196 -212.358 163.196 243.489 121.982 -212.359 121.983 98.0785 GPRESSURE: 3664400 226.647 57.6786 -203.897 92.2802 178.873 192.816 -107.992 -36.4715 130.854 PRESSAVG: 3664400 71.8997 -17.6192 -85.2227 -17.6192 -69.8654 61.3394 -85.2227 61.3393 18.4297 GPRESSAVG: 3664400 72.9736 -16.8709 -84.5549 -18.7374 -70.6183 62.2837 -85.0379 62.689 17.8315 TIMING: 3664400 CPU: 11775.2, 0.00403746/step Wall: 11775.2, 0.00403746/step, 1.4979 hours remaining, 233.886719 MB of memory in use. ENERGY: 3664400 4005.8914 20550.1916 14514.3824 254.4003 -203444.9266 2738.9778 0.0000 0.0000 52179.3615 -109201.7216 299.8755 -161381.0831 -108840.9108 299.4402 147.4395 178.7915 759758.3341 6.8213 6.7289 PRESSURE: 3664600 140.849 20.2414 -100.488 20.2417 -106.368 30.896 -100.488 30.8953 287.822 GPRESSURE: 3664600 211.119 56.4584 -5.70616 89.3286 -59.5183 -30.9691 -120.272 108.588 269.315 PRESSAVG: 3664600 31.9726 -30.522 -10.4288 -30.522 -80.2681 -21.7614 -10.4288 -21.7614 15.8565 GPRESSAVG: 3664600 30.6717 -28.9287 -10.7919 -30.0763 -80.0777 -22.6193 -10.1415 -24.1046 16.3399 TIMING: 3664600 CPU: 11776, 0.00400192/step Wall: 11776, 0.00400192/step, 1.48449 hours remaining, 233.886719 MB of memory in use. ENERGY: 3664600 3961.0872 20480.8179 14496.7257 247.3766 -203201.6008 2457.1107 0.0000 0.0000 52256.0066 -109302.4762 300.3160 -161558.4828 -108928.6053 299.5789 107.4341 140.3052 762528.8333 -10.8130 -11.0220 PRESSURE: 3664800 -256.496 -213.905 88.8593 -213.905 -136.898 33.4126 88.8602 33.4126 133.553 GPRESSURE: 3664800 -168.804 -236.744 129.704 -197.034 -128.804 55.1524 13.2861 88.0372 122.387 PRESSAVG: 3664800 12.8811 -76.7482 1.83 -76.7482 11.1364 -5.88947 1.82999 -5.8895 1.25911 GPRESSAVG: 3664800 13.2566 -78.1213 1.95586 -77.4845 10.5414 -4.17139 2.36392 -5.47439 1.71661 TIMING: 3664800 CPU: 11776.8, 0.00401536/step Wall: 11776.8, 0.00401536/step, 1.48925 hours remaining, 234.144531 MB of memory in use. ENERGY: 3664800 4002.0764 20432.4938 14475.1436 240.7244 -203147.2646 2352.4178 0.0000 0.0000 52117.1607 -109527.2479 299.5180 -161644.4086 -109161.8432 299.4680 -86.6137 -58.4069 761523.2740 8.4255 8.5049 PRESSURE: 3665000 -67.3045 49.672 237.689 49.672 30.4829 -87.217 237.689 -87.2165 -288.803 GPRESSURE: 3665000 12.7716 146.938 295.252 108.321 20.4058 -79.425 279.145 -84.2064 -274.124 PRESSAVG: 3665000 44.3337 -33.2524 23.2031 -33.2524 -6.2346 -24.7704 23.203 -24.7704 -16.562 GPRESSAVG: 3665000 44.8858 -31.8693 22.3172 -34.2465 -6.05699 -25.4385 22.582 -22.5444 -17.6085 TIMING: 3665000 CPU: 11777.6, 0.00399285/step Wall: 11777.6, 0.00399285/step, 1.48068 hours remaining, 234.144531 MB of memory in use. ENERGY: 3665000 4019.5124 20574.6683 14449.6122 241.0732 -203034.1009 2319.0302 0.0000 0.0000 51935.8453 -109494.3593 298.4760 -161430.2045 -109138.9271 298.9083 -108.5415 -80.3155 761927.0137 7.1790 7.0734 PRESSURE: 3665200 112.709 10.5445 -80.2764 10.5448 -258.236 -25.8839 -80.2766 -25.8835 -552.728 GPRESSURE: 3665200 77.5302 -113.078 -145.2 -103.276 -149.943 6.44149 -23.0942 -26.5198 -539.741 PRESSAVG: 3665200 27.9483 -28.8505 56.2932 -28.8505 -4.23551 -29.1349 56.2932 -29.1349 37.5332 GPRESSAVG: 3665200 28.0844 -32.2259 58.2476 -26.1117 -5.48729 -31.322 53.4848 -28.6701 37.7709 TIMING: 3665200 CPU: 11778.4, 0.00400438/step Wall: 11778.4, 0.00400438/step, 1.48473 hours remaining, 234.214844 MB of memory in use. ENERGY: 3665200 3939.5580 20553.3820 14512.4422 247.5545 -203221.7405 2313.4593 0.0000 0.0000 51993.3974 -109661.9470 298.8068 -161655.3444 -109303.8301 299.0740 -232.7513 -204.0511 760842.5491 20.4153 20.1227 PRESSURE: 3665400 124.137 20.9356 -99.057 20.9358 65.5155 63.128 -99.0576 63.1267 -123.578 GPRESSURE: 3665400 173.449 -60.6001 -89.6264 69.3577 178.967 125.56 17.9362 82.453 -195.016 PRESSAVG: 3665400 -26.915 -59.3906 38.8184 -59.3906 47.9383 -12.0742 38.8184 -12.0741 -4.25107 GPRESSAVG: 3665400 -26.9983 -56.7516 34.8438 -62.3332 48.2783 -10.9972 41.8888 -12.3371 -4.57451 TIMING: 3665400 CPU: 11779.2, 0.00399985/step Wall: 11779.2, 0.00399985/step, 1.48283 hours remaining, 234.214844 MB of memory in use. ENERGY: 3665400 4012.5570 20617.4400 14596.3798 235.9263 -203492.1206 2297.6909 0.0000 0.0000 52200.2213 -109531.9053 299.9954 -161732.1266 -109166.4430 298.6384 22.0249 52.4665 759888.6366 5.5907 5.5685 PRESSURE: 3665600 -109.732 -166.676 36.3626 -166.677 -168.84 129.748 36.3634 129.748 -518.589 GPRESSURE: 3665600 -169.521 -79.7665 -42.1392 -254.062 -97.693 46.3844 122.553 115.405 -460.66 PRESSAVG: 3665600 -4.16525 -55.6654 16.1714 -55.6653 32.4761 -16.9033 16.1714 -16.9034 -5.53976 GPRESSAVG: 3665600 -3.69269 -55.1248 17.8742 -53.0218 31.6854 -15.2622 17.5077 -17.7108 -5.03652 TIMING: 3665600 CPU: 11780, 0.0039849/step Wall: 11780, 0.0039849/step, 1.47707 hours remaining, 234.417969 MB of memory in use. ENERGY: 3665600 3999.2133 20748.2449 14462.6841 232.9094 -203213.4596 2278.0621 0.0000 0.0000 52058.7761 -109433.5696 299.1825 -161492.3457 -109073.9678 299.0672 -265.7206 -242.6246 762229.1096 7.5904 7.6521 PRESSURE: 3665800 -225.375 -24.8776 216.146 -24.8766 -339.284 -62.7585 216.146 -62.7573 -201.268 GPRESSURE: 3665800 -163.285 53.3423 231.787 -123.376 -312.818 -23.2745 51.0153 -70.3964 -218.819 PRESSAVG: 3665800 4.81342 -43.6942 52.9413 -43.6941 -31.6298 -44.0551 52.9413 -44.0551 -15.2273 GPRESSAVG: 3665800 3.22863 -44.753 53.9054 -45.22 -29.7743 -45.2437 49.877 -46.0441 -15.2774 TIMING: 3665800 CPU: 11780.7, 0.00398045/step Wall: 11780.7, 0.00398045/step, 1.4752 hours remaining, 234.417969 MB of memory in use. ENERGY: 3665800 4101.7177 20630.5867 14418.2296 254.6892 -203208.2544 2329.6396 0.0000 0.0000 52135.2984 -109338.0931 299.6223 -161473.3915 -108979.4316 299.9311 -255.3087 -231.6408 761742.9878 -14.0145 -13.9410 PRESSURE: 3666000 93.3255 -17.5147 -44.0466 -17.5144 -13.8253 187.291 -44.0464 187.291 201.301 GPRESSURE: 3666000 157.202 -58.6968 -98.1981 49.1476 17.8234 126.667 -116.744 243.199 191.106 PRESSAVG: 3666000 8.76207 -32.9223 -19.6738 -32.9223 -7.90599 11.7739 -19.6738 11.774 -1.76004 GPRESSAVG: 3666000 9.49104 -33.4145 -18.9638 -32.1859 -8.98239 12.5195 -19.7768 12.9627 -1.67198 TIMING: 3666000 CPU: 11781.5, 0.00398254/step Wall: 11781.5, 0.00398254/step, 1.47575 hours remaining, 234.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3666000 4026.0764 20529.1085 14443.2700 259.6876 -203580.8758 2750.9333 0.0000 0.0000 52204.4248 -109367.3751 300.0195 -161571.8000 -109001.2386 300.0645 93.6003 122.0437 760467.4958 -0.3013 -0.3878 PRESSURE: 3666200 -142.947 173.737 -68.3287 173.738 -515.328 -100.225 -68.3294 -100.224 -383.804 GPRESSURE: 3666200 -191.413 204.724 -96.7041 95.3474 -350.809 -112.318 115.214 10.6934 -420.263 PRESSAVG: 3666200 -45.1843 -9.31455 -22.6539 -9.31458 18.7657 0.588612 -22.6539 0.58866 13.4673 GPRESSAVG: 3666200 -44.7673 -9.01619 -22.2332 -7.75121 19.4363 -0.509997 -23.1886 1.4057 12.6793 TIMING: 3666200 CPU: 11782.3, 0.00398168/step Wall: 11782.3, 0.00398168/step, 1.47521 hours remaining, 234.417969 MB of memory in use. ENERGY: 3666200 3991.3446 20736.4733 14435.8897 243.5360 -203483.6069 2415.2750 0.0000 0.0000 52213.6545 -109447.4338 300.0726 -161661.0883 -109088.4642 299.7769 -347.3594 -320.8284 762467.2076 -4.3171 -4.2172 PRESSURE: 3666400 -301.146 -189.15 -84.2609 -189.15 -556.525 -86.7009 -84.2601 -86.7021 -251.634 GPRESSURE: 3666400 -227.757 -145.166 -135.228 -139.54 -513.211 0.147146 -109.335 -92.6051 -278.946 PRESSAVG: 3666400 33.9062 -73.1401 14.0036 -73.1401 -57.4473 -15.7252 14.0036 -15.7252 -25.9118 GPRESSAVG: 3666400 33.5008 -71.2922 13.9368 -75.0884 -57.6736 -14.4513 14.624 -17.9499 -24.7554 TIMING: 3666400 CPU: 11783.1, 0.00398528/step Wall: 11783.1, 0.00398528/step, 1.47633 hours remaining, 234.417969 MB of memory in use. ENERGY: 3666400 4130.0785 20556.0327 14489.4561 237.2246 -203432.4452 2363.4824 0.0000 0.0000 52086.6358 -109569.5349 299.3426 -161656.1708 -109209.1636 299.2596 -369.7682 -339.9712 760983.6791 -16.4843 -16.3094 PRESSURE: 3666600 43.1109 121.604 210.051 121.604 616.626 159.442 210.051 159.441 11.2702 GPRESSURE: 3666600 -11.477 88.6735 176.507 138.339 663.445 169.47 230.04 185.916 107.425 PRESSAVG: 3666600 2.54276 -100.645 -13.4901 -100.645 -14.5375 0.0969522 -13.4901 0.0969006 14.2275 GPRESSAVG: 3666600 3.10058 -99.8197 -14.3078 -101.231 -14.9965 -0.723004 -12.5527 1.42708 14.0345 TIMING: 3666600 CPU: 11783.9, 0.00398877/step Wall: 11783.9, 0.00398877/step, 1.47739 hours remaining, 234.417969 MB of memory in use. ENERGY: 3666600 3950.0695 20752.6264 14441.5266 249.4897 -203393.5654 2558.6533 0.0000 0.0000 51870.6939 -109570.5062 298.1016 -161441.2001 -109224.0568 299.3828 223.6689 253.1310 759735.5248 0.7443 0.7129 PRESSURE: 3666800 -127.563 -69.451 180.118 -69.451 108.416 -31.9298 180.117 -31.9293 133.291 GPRESSURE: 3666800 -116.627 -22.6877 227.778 -108.411 174.747 42.0505 221.114 -98.2069 149.863 PRESSAVG: 3666800 7.76562 -17.9448 -29.3458 -17.9448 -42.2113 -15.6376 -29.3458 -15.6376 -21.1528 GPRESSAVG: 3666800 6.87932 -16.9773 -29.8388 -17.5555 -40.8052 -16.4004 -26.7173 -15.2169 -21.3974 TIMING: 3666800 CPU: 11784.7, 0.00400497/step Wall: 11784.7, 0.00400497/step, 1.48317 hours remaining, 234.417969 MB of memory in use. ENERGY: 3666800 3963.3845 20411.1979 14511.7870 235.5001 -203421.9723 2605.0664 0.0000 0.0000 52183.0409 -109511.9956 299.8967 -161695.0364 -109140.6946 298.9584 38.0482 69.3278 760824.6341 -18.5329 -18.4411 PRESSURE: 3667000 -201.851 63.8997 -62.9804 63.8996 -52.6337 164.551 -62.9796 164.55 243.656 GPRESSURE: 3667000 -90.756 39.5883 -54.2414 27.0552 -35.6231 58.5187 -94.6003 122.428 204.967 PRESSAVG: 3667000 68.7052 -3.78621 -2.01704 -3.78621 -40.661 4.96878 -2.01704 4.96881 17.5248 GPRESSAVG: 3667000 70.0349 -5.32011 -1.79776 -4.1898 -41.9627 6.07574 -5.52479 6.79146 17.4797 TIMING: 3667000 CPU: 11785.5, 0.00398881/step Wall: 11785.5, 0.00398881/step, 1.47697 hours remaining, 234.417969 MB of memory in use. ENERGY: 3667000 4048.1573 20527.1679 14473.5392 245.1496 -203179.7580 2491.7845 0.0000 0.0000 51961.8916 -109432.0680 298.6257 -161393.9596 -109072.8667 298.9974 -3.6097 26.1961 761744.9768 15.1897 15.1840 PRESSURE: 3667200 -45.6243 -207.222 58.1998 -207.222 133.153 32.4725 58.2002 32.4724 -202.164 GPRESSURE: 3667200 -73.5028 -204.379 34.3067 -127.987 203.85 37.4279 104.97 47.814 -155.176 PRESSAVG: 3667200 -22.1639 -35.8349 48.7839 -35.8349 2.26298 56.6879 48.7839 56.6879 14.9281 GPRESSAVG: 3667200 -23.6373 -35.2572 47.788 -36.1856 4.50621 56.6291 50.5183 55.2076 14.279 TIMING: 3667200 CPU: 11786.3, 0.00397743/step Wall: 11786.3, 0.00397743/step, 1.47253 hours remaining, 234.417969 MB of memory in use. ENERGY: 3667200 3965.5884 20672.5743 14518.7313 229.3026 -203178.8171 2453.4330 0.0000 0.0000 52055.8540 -109283.3334 299.1657 -161339.1874 -108924.3073 299.9240 -38.2119 -8.2761 761572.1593 -1.6576 -1.6174 PRESSURE: 3667400 95.0293 -84.6296 60.5758 -84.6301 144.699 238.296 60.5761 238.295 -135.062 GPRESSURE: 3667400 30.5156 -34.8796 -10.5625 -10.5418 191.113 263.726 9.03476 171.012 -33.5786 PRESSAVG: 3667400 42.5536 -49.3591 -15.1274 -49.3591 -42.0109 -20.438 -15.1274 -20.438 10.0759 GPRESSAVG: 3667400 43.5288 -50.2162 -14.2225 -46.7574 -43.1014 -19.8517 -15.075 -21.3292 9.9352 TIMING: 3667400 CPU: 11787.1, 0.00398181/step Wall: 11787.1, 0.00398181/step, 1.47393 hours remaining, 234.417969 MB of memory in use. ENERGY: 3667400 3993.1696 20478.0037 14408.1109 246.1944 -203562.3127 2724.0682 0.0000 0.0000 51991.0017 -109721.7643 298.7930 -161712.7659 -109364.3848 299.1070 34.8886 62.6834 760589.0279 3.5395 3.4542 PRESSURE: 3667600 -159.044 -114.948 105.803 -114.947 -71.4216 -28.9895 105.803 -28.989 135.551 GPRESSURE: 3667600 -108.538 -83.0331 73.1853 -117.936 6.40925 -55.1382 240.459 -73.7967 104.691 PRESSAVG: 3667600 15.605 -63.1638 -6.2486 -63.1638 -10.0359 11.9141 -6.24866 11.9141 -2.22139 GPRESSAVG: 3667600 14.3668 -64.568 -4.01113 -62.0823 -9.27174 10.7276 -6.65779 14.7404 -1.82229 TIMING: 3667600 CPU: 11787.9, 0.00400348/step Wall: 11787.9, 0.00400348/step, 1.48173 hours remaining, 234.417969 MB of memory in use. ENERGY: 3667600 4087.9042 20486.4389 14448.4572 249.9746 -202935.8486 2205.9848 0.0000 0.0000 52141.7560 -109315.3329 299.6594 -161457.0889 -108952.5708 299.0218 -31.6383 0.8541 760326.1327 1.1159 1.0909 PRESSURE: 3667800 -71.9529 2.22825 91.015 2.22937 -391.3 -244.942 91.0147 -244.942 -385.606 GPRESSURE: 3667800 -196.776 -6.6761 152.782 24.0062 -238.589 -244.799 -22.7857 -275.887 -321.459 PRESSAVG: 3667800 60.6536 0.869612 3.57925 0.869619 -37.5684 16.9978 3.5792 16.9978 -8.5113 GPRESSAVG: 3667800 60.9197 2.33713 2.98033 -1.43246 -38.4684 16.5263 1.85697 15.2739 -7.98194 TIMING: 3667800 CPU: 11788.7, 0.00398494/step Wall: 11788.7, 0.00398494/step, 1.47465 hours remaining, 234.417969 MB of memory in use. ENERGY: 3667800 4001.7228 20388.0341 14548.6616 234.9963 -202788.3456 2128.5036 0.0000 0.0000 52182.6935 -109303.7338 299.8947 -161486.4273 -108941.5818 299.3563 -282.9530 -252.2748 759087.1595 4.8580 4.8231 PRESSURE: 3668000 104.624 74.4097 137.673 74.4103 57.3499 318.663 137.673 318.663 456.871 GPRESSURE: 3668000 135.161 87.2067 118.271 78.0647 155.832 388.146 127.703 224.331 439.317 PRESSAVG: 3668000 38.4557 21.2732 -5.42826 21.2731 -40.0542 20.2502 -5.42831 20.2502 11.3359 GPRESSAVG: 3668000 37.9701 21.7646 -5.70186 20.2998 -40.1751 22.4678 -4.96633 19.7527 12.2759 TIMING: 3668000 CPU: 11789.5, 0.00397629/step Wall: 11789.5, 0.00397629/step, 1.47123 hours remaining, 234.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3668000 3916.7090 20701.6135 14492.8200 229.0533 -203129.3380 2430.7898 0.0000 0.0000 52088.4002 -109269.9523 299.3528 -161358.3525 -108912.8425 299.4964 206.2815 243.4367 759134.2522 3.2458 3.3570 PRESSURE: 3668200 -163.832 -34.1264 -15.4368 -34.1261 98.7663 98.1242 -15.4372 98.1239 -190.315 GPRESSURE: 3668200 -69.0607 49.2735 -59.7431 -75.2317 35.2688 71.4358 52.0942 168.719 -157.51 PRESSAVG: 3668200 73.5867 2.38629 20.5259 2.38625 -30.5632 29.6846 20.5258 29.6846 5.87589 GPRESSAVG: 3668200 73.9267 -0.0651218 19.107 3.77451 -29.2959 28.5182 22.5071 31.905 4.74367 TIMING: 3668200 CPU: 11790.3, 0.00398132/step Wall: 11790.3, 0.00398132/step, 1.47287 hours remaining, 234.417969 MB of memory in use. ENERGY: 3668200 3993.9348 20722.9336 14629.1916 236.3093 -203404.3332 2528.6943 0.0000 0.0000 51965.5225 -109327.7470 298.6466 -161293.2695 -108958.0061 299.5388 -85.1270 -63.7674 760171.0131 16.2998 16.4582 LDB: ============= START OF LOAD BALANCING ============== 11802.8 LDB: ============== END OF LOAD BALANCING =============== 11802.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11802.8 LDB: ============= START OF LOAD BALANCING ============== 11803.2 LDB: Largest compute 7069 load 0.031302 is 16.2% of average load 0.193324 LDB: Average compute 0.004470 is 2.3% of average load 0.193324 LDB: TIME 11803.2 LOAD: AVG 0.193324 MAX 0.212715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.539 MB LDB: TIME 11803.2 LOAD: AVG 0.193324 MAX 0.212715 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 11803.2 LOAD: AVG 0.193324 MAX 0.212715 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 11803.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11803.2 PRESSURE: 3668400 252.954 15.5296 -141.012 15.5302 -174.356 -152.714 -141.012 -152.715 -130.362 GPRESSURE: 3668400 265.607 44.3141 -181.75 27.5513 -114.43 -112.642 -81.6828 -109.445 -127.023 PRESSAVG: 3668400 16.3999 22.2971 -17.9875 22.297 21.0582 66.9478 -17.9875 66.9477 2.04886 GPRESSAVG: 3668400 17.3231 24.5623 -16.5883 20.6243 19.6293 65.7319 -20.3461 67.2732 1.79696 TIMING: 3668400 CPU: 11791.1, 0.00409582/step Wall: 11791.1, 0.00409582/step, 1.515 hours remaining, 234.914062 MB of memory in use. ENERGY: 3668400 4066.2248 20581.5489 14488.1030 242.1218 -203833.8142 2733.5045 0.0000 0.0000 52023.8359 -109698.4755 298.9817 -161722.3114 -109342.6218 299.1270 -17.2544 8.0511 759423.1029 13.1690 12.9165 PRESSURE: 3668600 258.781 -95.2963 -82.191 -95.2962 -224.397 -48.5136 -82.1905 -48.5142 -290.909 GPRESSURE: 3668600 213.221 -166.938 -48.6613 -26.8996 -125.653 -124.213 -54.4957 -87.8812 -236.54 PRESSAVG: 3668600 75.4738 2.05978 -3.85028 2.05981 -71.1596 38.6469 -3.8503 38.6468 -17.9957 GPRESSAVG: 3668600 74.857 -0.14568 -4.22698 4.38823 -70.4322 38.659 -1.80516 39.107 -17.8042 TIMING: 3668600 CPU: 11791.9, 0.00400791/step Wall: 11791.9, 0.00400791/step, 1.48226 hours remaining, 234.914062 MB of memory in use. ENERGY: 3668600 3994.8746 20604.0435 14474.6040 250.9864 -203248.9305 2347.8555 0.0000 0.0000 51925.4297 -109651.1368 298.4162 -161576.5665 -109293.6024 298.4992 -85.5083 -49.6576 761638.4904 -4.5605 -4.4598 PRESSURE: 3668800 56.9864 44.9269 63.838 44.9277 21.6157 59.52 63.8372 59.5201 357.126 GPRESSURE: 3668800 120.521 83.7411 -17.3169 45.8581 -11.2287 19.7425 36.2336 159.089 403.656 PRESSAVG: 3668800 99.6677 -0.919157 27.7943 -0.919168 -115.313 29.7628 27.7943 29.7628 19.0602 GPRESSAVG: 3668800 99.7259 1.23137 28.184 -3.40054 -116.21 32.0549 26.6806 26.8333 20.2202 TIMING: 3668800 CPU: 11792.7, 0.00399181/step Wall: 11792.7, 0.00399181/step, 1.47608 hours remaining, 234.914062 MB of memory in use. ENERGY: 3668800 3971.3747 20370.9335 14455.4097 252.4239 -203562.8950 2674.9578 0.0000 0.0000 52034.9047 -109802.8907 299.0453 -161837.7954 -109437.4977 298.2232 145.2428 170.9828 759915.5860 1.1384 1.2453 PRESSURE: 3669000 200.896 -180.151 185.105 -180.152 -93.057 129.699 185.105 129.698 311.486 GPRESSURE: 3669000 220.075 -267.642 88.2574 -51.1983 15.7476 149.605 151.415 180.83 255.505 PRESSAVG: 3669000 62.3024 -43.2064 12.9092 -43.2064 -49.8719 13.3057 12.9091 13.3057 9.27155 GPRESSAVG: 3669000 62.4131 -42.1798 13.6071 -42.8487 -49.4642 11.2092 13.2288 16.1579 9.02757 TIMING: 3669000 CPU: 11793.5, 0.00397674/step Wall: 11793.5, 0.00397674/step, 1.47029 hours remaining, 234.914062 MB of memory in use. ENERGY: 3669000 3925.7745 20629.9631 14393.4331 252.3002 -203635.0047 2787.7126 0.0000 0.0000 51808.3954 -109837.4256 297.7436 -161645.8210 -109482.7950 298.0431 139.7751 163.7757 760111.9205 7.2340 7.3255 PRESSURE: 3669200 -406.239 -149.309 74.526 -149.308 -329.809 179.483 74.5268 179.483 -276.313 GPRESSURE: 3669200 -321.726 -299.941 145.768 -75.0881 -348.529 216.98 98.2922 95.0792 -243.09 PRESSAVG: 3669200 -1.3158 -21.8765 19.4188 -21.8765 14.3952 -25.882 19.4189 -25.8819 18.7139 GPRESSAVG: 3669200 -0.264266 -22.6173 20.0891 -19.1887 13.987 -23.5437 21.8635 -27.8494 18.2274 TIMING: 3669200 CPU: 11794.3, 0.00396548/step Wall: 11794.3, 0.00396548/step, 1.46591 hours remaining, 234.914062 MB of memory in use. ENERGY: 3669200 4016.7176 20681.4064 14538.2446 253.4597 -203497.6545 2553.9065 0.0000 0.0000 51608.4059 -109845.5138 296.5942 -161453.9197 -109498.2464 298.2255 -337.4535 -304.4486 762156.3611 10.5978 10.6500 PRESSURE: 3669400 -217.837 -172.703 40.5882 -172.704 -83.3315 51.8091 40.5879 51.8082 95.102 GPRESSURE: 3669400 -190.412 -232.1 1.34456 -140.504 -65.2348 57.9684 32.3946 191.258 134.806 PRESSAVG: 3669400 30.2414 -26.4814 14.1382 -26.4814 -66.3018 -32.5718 14.1382 -32.5717 -6.46403 GPRESSAVG: 3669400 31.113 -25.2082 13.6186 -28.1774 -66.6533 -34.7427 11.0003 -33.1791 -7.38876 TIMING: 3669400 CPU: 11795.1, 0.00398933/step Wall: 11795.1, 0.00398933/step, 1.4745 hours remaining, 234.914062 MB of memory in use. ENERGY: 3669400 3979.8036 20626.5133 14403.4899 226.4072 -203507.7080 2600.0845 0.0000 0.0000 52090.0127 -109581.3968 299.3620 -161671.4095 -109230.6329 298.8003 -68.6888 -40.2803 761123.6347 -14.1748 -14.3097 PRESSURE: 3669600 161.557 -275.829 0.13325 -275.83 233.408 -44.0903 0.133318 -44.0898 16.8669 GPRESSURE: 3669600 44.7661 -263.976 26.8901 -239.331 393.811 -60.388 23.8373 -70.5778 78.3645 PRESSAVG: 3669600 28.0578 -3.27957 -9.95769 -3.27953 -19.3888 -18.9244 -9.95768 -18.9243 14.8407 GPRESSAVG: 3669600 26.3303 -4.73402 -8.49333 -4.08339 -17.8126 -18.1785 -10.2626 -17.1362 15.7108 TIMING: 3669600 CPU: 11795.9, 0.00399396/step Wall: 11795.9, 0.00399396/step, 1.47599 hours remaining, 234.914062 MB of memory in use. ENERGY: 3669600 3993.8026 20537.4137 14513.5456 232.3389 -203481.9460 2687.9327 0.0000 0.0000 52005.1590 -109511.7536 298.8744 -161516.9126 -109153.7054 298.6662 137.2772 172.3138 759234.9530 7.8365 8.0762 PRESSURE: 3669800 -7.02306 -210.933 -375.78 -210.933 208.568 -167.095 -375.78 -167.095 64.6206 GPRESSURE: 3669800 48.081 -212.025 -298.23 -213.843 312.198 -132.408 -242.148 -73.6519 -17.3008 PRESSAVG: 3669800 48.0547 -33.4854 46.145 -33.4854 -95.5248 21.0847 46.145 21.0847 -2.8656 GPRESSAVG: 3669800 47.6792 -34.777 44.0967 -32.8416 -95.9968 20.8531 47.9812 21.8354 -2.37998 TIMING: 3669800 CPU: 11796.7, 0.00399634/step Wall: 11796.7, 0.00399634/step, 1.47665 hours remaining, 234.914062 MB of memory in use. ENERGY: 3669800 4023.4294 20400.0617 14437.9176 233.8910 -203615.8260 2541.3690 0.0000 0.0000 52517.2555 -109461.9019 301.8174 -161979.1574 -109092.6306 298.9396 88.7220 114.3262 761706.8918 -16.7786 -16.8992 PRESSURE: 3670000 -186.576 40.4819 30.8292 40.4815 85.959 -289.791 30.8298 -289.791 -405.374 GPRESSURE: 3670000 -232.783 -13.0879 24.6425 -10.1749 85.4082 -312.101 51.9909 -293.906 -283.4 PRESSAVG: 3670000 17.9973 -52.6851 -42.811 -52.6851 -13.1139 -43.6043 -42.8109 -43.6043 -4.25549 GPRESSAVG: 3670000 18.2504 -51.6941 -41.0079 -52.9819 -13.2361 -44.5968 -43.4469 -43.872 -4.27695 TIMING: 3670000 CPU: 11797.5, 0.00400761/step Wall: 11797.5, 0.00400761/step, 1.48059 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3670000 4009.0009 20731.2311 14468.0194 235.5115 -203115.1334 2327.0677 0.0000 0.0000 52092.2356 -109252.0673 299.3748 -161344.3029 -108906.7971 299.4380 -168.6639 -143.5915 762444.1610 0.2093 0.2458 PRESSURE: 3670200 -75.601 -81.9162 2.96042 -81.9155 -279.718 -69.7789 2.9609 -69.7797 34.1002 GPRESSURE: 3670200 14.3484 -7.13578 34.4786 -47.1922 -258.13 -99.332 6.53797 -153.549 0.748862 PRESSAVG: 3670200 15.234 -32.5283 -51.6575 -32.5284 -22.9611 -36.57 -51.6576 -36.57 22.6792 GPRESSAVG: 3670200 15.1431 -32.8175 -55.002 -31.5092 -23.1848 -34.9775 -51.1978 -38.6069 22.0405 TIMING: 3670200 CPU: 11798.3, 0.00399548/step Wall: 11798.3, 0.00399548/step, 1.47589 hours remaining, 234.914062 MB of memory in use. ENERGY: 3670200 4045.9412 20543.6612 14471.4535 243.7348 -203271.6960 2389.5115 0.0000 0.0000 52296.7734 -109280.6204 300.5503 -161577.3938 -108917.9266 299.9324 -107.0728 -81.0110 761916.8813 4.9841 4.6662 PRESSURE: 3670400 -21.2355 101.351 -45.5022 101.35 -177.515 -3.16421 -45.5019 -3.16429 -171.301 GPRESSURE: 3670400 104.419 81.5286 -52.8117 72.1081 -163.572 39.4838 -67.5425 -31.6373 -211.635 PRESSAVG: 3670400 39.4366 -33.9161 -10.4436 -33.9161 -52.1062 15.4874 -10.4437 15.4873 -13.7823 GPRESSAVG: 3670400 39.6966 -35.1508 -7.36133 -33.966 -52.7974 14.5114 -12.678 15.7098 -13.4948 TIMING: 3670400 CPU: 11799.1, 0.00399897/step Wall: 11799.1, 0.00399897/step, 1.47695 hours remaining, 234.914062 MB of memory in use. ENERGY: 3670400 4043.6795 20598.9832 14508.7182 259.9927 -203501.7018 2634.4349 0.0000 0.0000 52360.7878 -109095.1055 300.9182 -161455.8933 -108729.0904 300.2425 -123.3504 -90.2625 761690.1174 -8.8173 -8.8652 PRESSURE: 3670600 150.209 -15.5258 -28.2844 -15.5251 -40.7294 220.604 -28.2845 220.603 -26.7356 GPRESSURE: 3670600 110.536 -53.034 -88.7837 2.68542 24.8563 233.03 -157.216 61.1737 61.9892 PRESSAVG: 3670600 91.8936 -7.18342 -12.8206 -7.18336 -57.023 -12.6108 -12.8206 -12.6108 8.47099 GPRESSAVG: 3670600 90.8891 -6.72596 -15.1008 -7.47128 -56.4162 -12.6255 -12.1412 -13.0875 9.25428 TIMING: 3670600 CPU: 11799.9, 0.00400352/step Wall: 11799.9, 0.00400352/step, 1.47841 hours remaining, 234.914062 MB of memory in use. ENERGY: 3670600 4026.3674 20668.3876 14492.5634 259.5707 -203360.1672 2678.4141 0.0000 0.0000 52151.3053 -109083.5587 299.7143 -161234.8641 -108721.8428 300.4448 27.5813 65.7939 760544.7407 14.4472 14.5757 PRESSURE: 3670800 -62.297 -179.985 -228.043 -179.986 15.6248 -76.5948 -228.042 -76.5948 -447.069 GPRESSURE: 3670800 82.3927 14.086 -246.367 -86.1457 -15.9795 -51.8909 -170.522 -29.9742 -486.178 PRESSAVG: 3670800 -27.8017 -49.5673 -58.6348 -49.5673 -7.03905 -47.6287 -58.6348 -47.6287 4.12794 GPRESSAVG: 3670800 -27.9348 -48.7294 -58.9548 -48.7849 -7.32875 -48.6838 -56.6376 -45.3972 4.47844 TIMING: 3670800 CPU: 11800.7, 0.00401247/step Wall: 11800.7, 0.00401247/step, 1.48149 hours remaining, 234.914062 MB of memory in use. ENERGY: 3670800 3985.8305 20665.0661 14501.9129 222.7489 -203498.8939 2669.1186 0.0000 0.0000 52129.6123 -109324.6045 299.5896 -161454.2168 -108961.5715 300.1609 -164.5804 -139.9215 762968.2253 -10.2376 -10.2617 PRESSURE: 3671000 -61.0113 0.0846835 -9.76948 0.0846334 -68.5191 310.816 -9.76929 310.816 -80.09 GPRESSURE: 3671000 12.8072 12.4195 4.77308 -119.591 -36.1191 225.738 3.07073 324.501 -105.787 PRESSAVG: 3671000 37.163 -14.539 -31.2383 -14.539 -18.8565 -19.6351 -31.2384 -19.635 2.6634 GPRESSAVG: 3671000 38.5451 -14.1723 -29.0541 -15.3812 -18.0292 -18.9209 -32.2716 -19.268 0.780318 TIMING: 3671000 CPU: 11801.5, 0.00400977/step Wall: 11801.5, 0.00400977/step, 1.48027 hours remaining, 234.914062 MB of memory in use. ENERGY: 3671000 4037.1834 20598.6478 14470.1678 254.1823 -203309.1051 2400.0511 0.0000 0.0000 52330.0005 -109218.8722 300.7412 -161548.8727 -108853.4458 299.9583 -69.8735 -43.0329 761473.9277 6.9899 7.0987 PRESSURE: 3671200 585.59 -184.572 -9.06391 -184.572 77.8098 121.31 -9.06477 121.311 262.541 GPRESSURE: 3671200 599.566 -214.937 -29.7155 -116.596 158.203 155.099 43.2963 81.5311 267.7 PRESSAVG: 3671200 31.3733 -16.1023 -13.4904 -16.1024 -49.0723 -47.5143 -13.4904 -47.5143 -8.6126 GPRESSAVG: 3671200 29.3021 -18.8978 -12.9811 -14.9093 -48.6722 -47.9139 -15.0239 -47.8392 -6.98852 TIMING: 3671200 CPU: 11802.3, 0.0040056/step Wall: 11802.3, 0.0040056/step, 1.47851 hours remaining, 234.914062 MB of memory in use. ENERGY: 3671200 4035.6518 20596.3849 14495.3125 224.5810 -203253.1425 2660.7833 0.0000 0.0000 52155.8650 -109084.5641 299.7405 -161240.4291 -108725.0314 300.1258 308.6470 341.8228 760953.9417 -8.7705 -8.7862 PRESSURE: 3671400 -7.66305 136.423 -316.136 136.423 -255.08 -273.829 -316.135 -273.83 -233.474 GPRESSURE: 3671400 -79.1687 197.272 -194.997 52.4925 -111.517 -199.856 -352.732 -216.528 -227.645 PRESSAVG: 3671400 -5.04435 -52.8961 -30.3549 -52.896 -8.76038 46.536 -30.3549 46.5361 -27.8216 GPRESSAVG: 3671400 -4.60783 -50.9268 -33.32 -54.2237 -9.46859 48.3541 -29.3372 46.6783 -27.6237 TIMING: 3671400 CPU: 11803.1, 0.00399368/step Wall: 11803.1, 0.00399369/step, 1.47389 hours remaining, 234.914062 MB of memory in use. ENERGY: 3671400 4009.8366 20565.0746 14442.6422 230.7911 -203206.6298 2611.8377 0.0000 0.0000 52312.3632 -109034.0845 300.6399 -161346.4476 -108660.2313 300.3395 -165.4057 -139.4435 761222.3558 -13.8755 -13.9000 PRESSURE: 3671600 -7.2828 118.421 135.273 118.421 -76.1719 -154.357 135.273 -154.358 -281.66 GPRESSURE: 3671600 28.7325 125.159 151.065 78.8176 -64.568 -127.828 118.329 -145.27 -244.155 PRESSAVG: 3671600 14.3888 7.87605 -33.1538 7.87603 -13.4788 -9.24139 -33.1538 -9.24141 -22.3664 GPRESSAVG: 3671600 15.1349 9.77768 -32.0272 7.93988 -12.3721 -10.8066 -32.9368 -9.22117 -23.3133 TIMING: 3671600 CPU: 11803.9, 0.00401903/step Wall: 11803.9, 0.00401903/step, 1.48302 hours remaining, 234.914062 MB of memory in use. ENERGY: 3671600 3991.9499 20597.2307 14510.7789 233.2655 -203010.6068 2353.6782 0.0000 0.0000 52199.3375 -109124.3662 299.9903 -161323.7036 -108753.8932 300.4271 -121.7050 -93.3302 762132.4132 -7.1522 -6.8501 PRESSURE: 3671800 33.6835 -99.0937 136.817 -99.0939 -371.64 -14.0918 136.817 -14.0925 -116.079 GPRESSURE: 3671800 -19.7501 -77.4427 106.852 -163.22 -315.608 -113.558 59.2643 36.2038 -42.8596 PRESSAVG: 3671800 12.8219 0.104925 -47.8678 0.104893 3.20769 -32.8947 -47.8679 -32.8947 -2.19103 GPRESSAVG: 3671800 12.8691 -0.0917464 -47.898 1.99723 3.18863 -31.8313 -48.4598 -34.6333 -2.1086 TIMING: 3671800 CPU: 11804.7, 0.00402095/step Wall: 11804.7, 0.00402095/step, 1.48351 hours remaining, 234.914062 MB of memory in use. ENERGY: 3671800 4034.6413 20436.5443 14493.1455 238.2834 -202902.1856 2111.7062 0.0000 0.0000 52352.5617 -109235.3032 300.8709 -161587.8649 -108869.1950 299.6838 -151.3452 -126.0726 761767.0751 4.6129 4.6497 PRESSURE: 3672000 28.7863 20.9485 62.9101 20.9482 114.103 286.245 62.9099 286.245 79.1581 GPRESSURE: 3672000 158.662 109.03 82.2266 59.6911 122.931 243.159 119.35 278.47 42.5399 PRESSAVG: 3672000 -9.05189 -8.8843 48.1964 -8.88436 -13.5517 23.8647 48.1964 23.8647 23.7812 GPRESSAVG: 3672000 -8.45531 -11.6313 48.1229 -10.8681 -14.4963 22.4821 47.5467 23.8151 23.7559 TIMING: 3672000 CPU: 11805.5, 0.00403/step Wall: 11805.5, 0.00403/step, 1.48662 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3672000 3917.2360 20519.9241 14487.2277 243.3623 -202874.0126 2400.6911 0.0000 0.0000 52244.8867 -109060.6848 300.2521 -161305.5715 -108690.8473 299.6549 74.0159 108.0446 761661.5287 0.3925 0.2681 PRESSURE: 3672200 267.58 118.157 -279.578 118.158 309.538 137.406 -279.578 137.405 -187.318 GPRESSURE: 3672200 282.998 83.9129 -367.438 100.736 287.602 183.545 -299.913 31.4327 -99.2767 PRESSAVG: 3672200 40.6457 -31.2634 -55.9097 -31.2634 1.6872 5.70512 -55.9096 5.70511 19.0801 GPRESSAVG: 3672200 39.2978 -28.7195 -54.8747 -31.505 4.3454 7.33653 -55.9701 4.89788 17.7917 TIMING: 3672200 CPU: 11806.3, 0.00402723/step Wall: 11806.3, 0.00402723/step, 1.48538 hours remaining, 234.914062 MB of memory in use. ENERGY: 3672200 3933.9332 20537.4840 14497.3454 244.8440 -202884.0107 2550.2900 0.0000 0.0000 52286.0466 -108834.0674 300.4886 -161120.1140 -108462.7757 300.4580 129.9335 157.1076 762406.2375 20.4710 20.4783 LDB: ============= START OF LOAD BALANCING ============== 11818.9 LDB: ============== END OF LOAD BALANCING =============== 11818.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11818.9 LDB: ============= START OF LOAD BALANCING ============== 11819.3 LDB: Largest compute 7033 load 0.031640 is 16.4% of average load 0.193309 LDB: Average compute 0.004493 is 2.3% of average load 0.193309 LDB: TIME 11819.3 LOAD: AVG 0.193309 MAX 0.21513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.461 MB LDB: TIME 11819.3 LOAD: AVG 0.193309 MAX 0.21513 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 11819.3 LOAD: AVG 0.193309 MAX 0.21513 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 11819.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819.3 PRESSURE: 3672400 114.878 -139.968 92.9266 -139.969 -190.369 -146.813 92.9257 -146.813 -21.0464 GPRESSURE: 3672400 191.657 -128.329 60.9448 -207.355 -162.614 18.1136 122.1 -99.3488 -15.9722 PRESSAVG: 3672400 64.0464 -1.67222 -15.6524 -1.6722 -10.9227 -34.4522 -15.6525 -34.4522 -10.3357 GPRESSAVG: 3672400 65.9341 -2.28619 -16.1865 -1.44966 -13.1353 -35.8171 -15.3731 -31.7102 -9.8364 TIMING: 3672400 CPU: 11807.2, 0.00411137/step Wall: 11807.2, 0.00411137/step, 1.51618 hours remaining, 234.199219 MB of memory in use. ENERGY: 3672400 3995.4668 20527.5071 14451.4425 230.0214 -203030.4281 2419.5129 0.0000 0.0000 52440.7072 -108965.7702 301.3775 -161406.4774 -108596.7879 300.3956 -32.1793 4.3568 761831.5043 14.2627 14.3208 PRESSURE: 3672600 -37.5321 103.549 -104.629 103.549 -91.1898 -97.9928 -104.629 -97.9924 23.3008 GPRESSURE: 3672600 -6.84824 132.456 -6.38454 74.9879 -71.4626 -131.405 15.8136 48.873 56.3951 PRESSAVG: 3672600 29.0816 -17.0231 29.2575 -17.0232 -59.0912 14.7106 29.2576 14.7106 9.26995 GPRESSAVG: 3672600 27.3075 -18.9984 28.1676 -15.198 -57.8769 15.4324 29.3527 13.5972 9.38904 TIMING: 3672600 CPU: 11808, 0.00398913/step Wall: 11808, 0.00398914/step, 1.47088 hours remaining, 234.398438 MB of memory in use. ENERGY: 3672600 3969.6417 20463.8195 14478.5700 230.0200 -202671.0240 2412.8220 0.0000 0.0000 52140.5384 -108975.6125 299.6524 -161116.1509 -108604.7307 300.6207 -35.1404 -7.3053 762904.6322 -6.9132 -7.0601 PRESSURE: 3672800 8.11071 -102.283 -76.8807 -102.283 -89.8553 175.168 -76.8816 175.17 -159.351 GPRESSURE: 3672800 69.7369 -80.8983 -170.3 -81.536 -117.436 155.089 -13.4234 142.591 -82.253 PRESSAVG: 3672800 -19.0451 -11.3799 -25.4665 -11.38 -23.4951 -35.6088 -25.4665 -35.6089 -11.5057 GPRESSAVG: 3672800 -18.0366 -7.89124 -25.8923 -13.9779 -24.9878 -35.1565 -24.7905 -34.1944 -10.6265 TIMING: 3672800 CPU: 11808.8, 0.00400341/step Wall: 11808.8, 0.00400341/step, 1.47593 hours remaining, 234.398438 MB of memory in use. ENERGY: 3672800 4029.1031 20320.0671 14520.2897 260.9671 -202619.6272 2305.0470 0.0000 0.0000 52204.8997 -108979.2534 300.0223 -161184.1532 -108612.1292 300.2370 -80.3653 -43.3175 764187.0579 -18.0153 -17.8837 PRESSURE: 3673000 -186.343 192.801 -267.481 192.801 -419.866 -115.005 -267.48 -115.005 374.641 GPRESSURE: 3673000 -286.719 141.207 -256.711 157.016 -205.045 -154.801 -200.29 -187.419 356.098 PRESSAVG: 3673000 48.1993 -17.2867 -92.2962 -17.2867 -30.7315 -45.69 -92.2962 -45.69 6.84269 GPRESSAVG: 3673000 46.3528 -20.8263 -92.6987 -15.2415 -28.7089 -44.8372 -91.8047 -47.234 6.47738 TIMING: 3673000 CPU: 11809.6, 0.00400499/step Wall: 11809.6, 0.00400499/step, 1.47628 hours remaining, 234.398438 MB of memory in use. ENERGY: 3673000 3958.3969 20453.3298 14477.3150 261.8745 -202902.6407 2482.9807 0.0000 0.0000 52189.0982 -109079.6455 299.9315 -161268.7437 -108709.4441 299.9022 -77.1893 -45.2218 762900.4958 8.1035 8.0404 PRESSURE: 3673200 -340.766 -101.233 57.5114 -101.233 -299.59 283.012 57.5106 283.013 -485.555 GPRESSURE: 3673200 -313.029 -146.7 70.8073 -97.8773 -173.32 278.275 209.615 281.088 -542.157 PRESSAVG: 3673200 61 -11.1344 -30.9602 -11.1344 -53.658 13.7484 -30.9602 13.7484 -7.5407 GPRESSAVG: 3673200 63.0482 -10.0539 -27.4725 -11.2179 -54.8916 14.1554 -32.4444 14.3911 -8.18561 TIMING: 3673200 CPU: 11810.4, 0.00401492/step Wall: 11810.4, 0.00401492/step, 1.47972 hours remaining, 234.398438 MB of memory in use. ENERGY: 3673200 4059.4059 20461.1636 14494.3685 258.3282 -202428.6327 2066.4199 0.0000 0.0000 51969.3145 -109119.6322 298.6684 -161088.9467 -108764.6231 299.4946 -375.3037 -342.8352 763407.3381 -0.0662 -0.0097 PRESSURE: 3673400 84.9138 -136.17 -65.6499 -136.171 123.389 -181.725 -65.6491 -181.725 240.798 GPRESSURE: 3673400 186.339 -64.9477 -39.343 -92.3424 189.163 -151.217 -33.4059 -251.617 155.155 PRESSAVG: 3673400 86.8156 -33.6322 9.98252 -33.6322 -76.219 37.7539 9.98257 37.7539 17.0297 GPRESSAVG: 3673400 86.2805 -32.5264 9.39732 -33.2074 -76.2654 36.2193 10.3 37.5294 17.7985 TIMING: 3673400 CPU: 11811.2, 0.00398541/step Wall: 11811.2, 0.00398541/step, 1.46863 hours remaining, 234.398438 MB of memory in use. ENERGY: 3673400 4037.8925 20446.4878 14450.7481 242.7669 -203213.2509 2808.4808 0.0000 0.0000 51946.4535 -109280.4213 298.5370 -161226.8748 -108924.2812 299.2531 149.7003 176.8858 761811.8900 9.2087 9.2712 PRESSURE: 3673600 -212.006 33.5719 82.9753 33.5725 -131.286 256.85 82.976 256.85 -121.093 GPRESSURE: 3673600 -105.74 -9.06019 108.44 -16.3261 -79.9641 277.472 81.0744 272.729 -180.334 PRESSAVG: 3673600 35.8412 -16.7335 2.246 -16.7335 -46.46 39.5334 2.24608 39.5333 24.1865 GPRESSAVG: 3673600 35.2246 -17.9894 0.220687 -18.9713 -46.0067 38.7369 2.53822 40.2911 24.2372 TIMING: 3673600 CPU: 11812, 0.00402173/step Wall: 11812, 0.00402173/step, 1.48178 hours remaining, 234.398438 MB of memory in use. ENERGY: 3673600 3984.7787 20410.3697 14444.5146 252.7657 -202729.1544 2352.1471 0.0000 0.0000 52151.9176 -109132.6611 299.7178 -161284.5787 -108774.4585 299.0842 -154.7951 -122.0127 763165.1669 4.5226 4.4850 PRESSURE: 3673800 -147.172 -178.846 58.3353 -178.846 -371.058 -108.512 58.3353 -108.511 -143.405 GPRESSURE: 3673800 -168.554 -128.366 81.1349 -114.312 -315.703 -99.0567 -12.651 -142.655 -106.303 PRESSAVG: 3673800 -19.1849 -64.8608 0.702567 -64.8608 -14.337 -19.6523 0.702573 -19.6522 8.35875 GPRESSAVG: 3673800 -17.724 -64.5022 1.74842 -61.4095 -16.0061 -19.3911 0.520856 -20.8435 8.85005 TIMING: 3673800 CPU: 11812.8, 0.00397547/step Wall: 11812.8, 0.00397547/step, 1.46452 hours remaining, 234.398438 MB of memory in use. ENERGY: 3673800 4016.2541 20793.7810 14448.8267 258.9378 -202764.1920 2113.7109 0.0000 0.0000 51938.3733 -109194.3083 298.4905 -161132.6815 -108841.4781 299.5819 -220.5450 -196.8532 762295.2555 -8.3877 -8.2933 PRESSURE: 3674000 239.994 -13.229 43.423 -13.229 57.6063 126.306 43.4224 126.305 3.74565 GPRESSURE: 3674000 338.725 -72.97 46.0611 47.2727 12.8011 158.848 92.8902 159.861 37.1198 PRESSAVG: 3674000 34.522 -67.1739 3.02035 -67.1738 -8.57434 -6.87482 3.02039 -6.87482 -4.26941 GPRESSAVG: 3674000 35.0888 -68.8362 3.74035 -68.035 -8.21055 -4.92411 2.76266 -5.54279 -4.5034 TIMING: 3674000 CPU: 11813.6, 0.00403/step Wall: 11813.6, 0.00403/step, 1.48438 hours remaining, 234.398438 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: 3674000 3937.3031 20536.6391 14433.6123 253.7245 -203210.2205 2659.1281 0.0000 0.0000 52194.2150 -109195.5984 299.9609 -161389.8134 -108833.8195 299.6911 100.4487 129.5485 762849.0110 7.2261 7.4583 PRESSURE: 3674200 -55.8276 -92.8837 131.876 -92.8846 346.793 -95.3409 131.876 -95.342 251.358 GPRESSURE: 3674200 81.4572 4.94224 189.175 -77.5265 427.166 25.0836 142.976 -8.97619 130.318 PRESSAVG: 3674200 19.202 -33.8762 23.5034 -33.8763 -39.6105 -4.88865 23.5034 -4.88859 10.97 GPRESSAVG: 3674200 18.6162 -32.4976 24.77 -32.8402 -38.3863 -6.83145 23.4178 -4.63467 10.0341 TIMING: 3674200 CPU: 11814.4, 0.00403728/step Wall: 11814.4, 0.00403728/step, 1.48684 hours remaining, 234.398438 MB of memory in use. ENERGY: 3674200 4006.6779 20673.4535 14434.1447 242.5904 -202861.4712 2331.9615 0.0000 0.0000 52006.9183 -109165.7249 298.8845 -161172.6432 -108798.0912 299.4596 180.7742 212.9805 760397.7274 -3.1462 -3.2453 PRESSURE: 3674400 -334.416 -43.9743 -134.143 -43.9746 -177.648 -104.032 -134.144 -104.033 -364.331 GPRESSURE: 3674400 -319.995 -69.022 -124.016 -60.2428 -168.414 -73.0207 -182.104 44.4154 -334.356 PRESSAVG: 3674400 29.7185 -21.708 31.4181 -21.708 -40.8745 -16.8579 31.4181 -16.8579 7.04807 GPRESSAVG: 3674400 29.9757 -21.7721 29.6874 -23.136 -42.3502 -16.466 33.3724 -17.5619 8.49609 TIMING: 3674400 CPU: 11815.2, 0.00403953/step Wall: 11815.2, 0.00403953/step, 1.48744 hours remaining, 234.398438 MB of memory in use. ENERGY: 3674400 3951.0491 20628.6905 14507.9517 227.7375 -203400.8848 2298.2396 0.0000 0.0000 52584.9436 -109202.2729 302.2064 -161787.2165 -108832.3265 299.7385 -292.1314 -274.2552 760289.7556 -1.3693 -1.2928 PRESSURE: 3674600 104.909 -4.41763 -195.862 -4.41869 -264.378 -27.5626 -195.861 -27.5622 -225.774 GPRESSURE: 3674600 82.8587 -25.3612 -145.556 121.72 -187.601 -41.0242 -198.742 4.17449 -211.443 PRESSAVG: 3674600 -23.1186 -59.6598 3.59866 -59.6598 -1.72251 -62.0608 3.59863 -62.0608 -11.072 GPRESSAVG: 3674600 -24.3933 -59.9115 3.70737 -60.9162 0.14885 -63.0809 4.36427 -62.1351 -11.7452 TIMING: 3674600 CPU: 11816, 0.00403437/step Wall: 11816, 0.00403437/step, 1.48532 hours remaining, 234.398438 MB of memory in use. ENERGY: 3674600 4067.4596 20474.9742 14566.7036 229.6784 -202658.7792 2108.4691 0.0000 0.0000 52158.6147 -109052.8795 299.7563 -161211.4941 -108694.5857 300.0459 -128.4141 -105.3950 760825.6389 -11.9711 -11.9965 PRESSURE: 3674800 -85.3439 -196.14 11.4634 -196.141 236.78 -18.8872 11.4636 -18.887 -82.508 GPRESSURE: 3674800 5.80078 -96.25 -100.11 -98.1684 192.377 -151.791 4.28365 18.3511 -34.9289 PRESSAVG: 3674800 4.35185 -15.5097 -20.8877 -15.5097 22.3612 2.45091 -20.8877 2.45084 25.6872 GPRESSAVG: 3674800 4.74168 -14.2868 -21.7889 -12.7778 21.9167 3.58614 -24.0829 1.89536 25.7356 TIMING: 3674800 CPU: 11816.8, 0.0040469/step Wall: 11816.8, 0.0040469/step, 1.48971 hours remaining, 234.398438 MB of memory in use. ENERGY: 3674800 3953.5218 20800.6033 14458.6731 235.8298 -203366.5746 2638.5377 0.0000 0.0000 51889.9774 -109389.4316 298.2124 -161279.4090 -109033.6041 299.3072 22.9761 54.4164 759506.4693 17.4668 17.4646 PRESSURE: 3675000 -57.8837 43.533 82.0928 43.533 -33.9355 -108.209 82.0917 -108.21 -69.0242 GPRESSURE: 3675000 -71.7918 23.811 43.7407 -56.6457 23.7302 -150.724 68.4481 -35.9988 -18.2756 PRESSAVG: 3675000 12.4071 -77.9634 -43.5712 -77.9634 5.00931 -1.20284 -43.5712 -1.2028 10.0111 GPRESSAVG: 3675000 9.33298 -79.386 -43.6645 -79.6266 5.21726 -2.19531 -43.7417 0.171426 11.9952 TIMING: 3675000 CPU: 11817.6, 0.00404351/step Wall: 11817.6, 0.00404351/step, 1.48824 hours remaining, 234.398438 MB of memory in use. ENERGY: 3675000 4090.6817 20583.8351 14489.4175 232.2721 -203600.5682 2818.3918 0.0000 0.0000 51861.3422 -109524.6278 298.0478 -161385.9700 -109173.9054 299.3360 -53.6145 -22.1124 759893.6966 9.1425 8.8485 PRESSURE: 3675200 114.67 154.367 -138.867 154.366 -12.0458 -9.04997 -138.867 -9.0483 -110.829 GPRESSURE: 3675200 148.602 196.635 -134.416 133.459 -75.6962 -34.8 -189.37 -3.03109 22.7773 PRESSAVG: 3675200 17.8543 -14.7394 35.5095 -14.7394 -4.22373 -1.81231 35.5095 -1.81231 9.91542 GPRESSAVG: 3675200 20.1551 -14.599 36.5228 -13.1713 -4.39946 -1.71939 37.1016 -3.6519 8.29937 TIMING: 3675200 CPU: 11818.4, 0.00403196/step Wall: 11818.4, 0.00403196/step, 1.48376 hours remaining, 234.398438 MB of memory in use. ENERGY: 3675200 4090.6002 20438.4618 14546.0072 253.0632 -203501.8248 2662.7429 0.0000 0.0000 52047.5623 -109463.3871 299.1181 -161510.9495 -109106.8205 298.9208 -2.7349 31.8945 760881.3945 7.8487 8.0183 PRESSURE: 3675400 134.56 -24.6414 -86.1732 -24.6417 32.6453 161.343 -86.1734 161.343 240.688 GPRESSURE: 3675400 137.542 -43.9308 8.80368 -64.5192 141.099 182.964 -160.252 192.518 226.429 PRESSAVG: 3675400 7.50917 -35.8628 -68.8771 -35.8628 30.1829 -23.2726 -68.8771 -23.2725 -9.85454 GPRESSAVG: 3675400 7.88276 -34.6605 -68.9551 -37.6059 29.7596 -21.6607 -69.037 -24.3174 -9.47618 TIMING: 3675400 CPU: 11819.2, 0.00400063/step Wall: 11819.2, 0.00400063/step, 1.47201 hours remaining, 234.398438 MB of memory in use. ENERGY: 3675400 3973.0327 20501.8484 14508.7866 217.8210 -203318.1279 2725.9594 0.0000 0.0000 51969.7333 -109420.9465 298.6708 -161390.6798 -109066.4961 299.1628 135.9645 168.3566 761511.0779 9.2792 9.3887 PRESSURE: 3675600 107.308 117.234 -53.6573 117.234 -226.347 31.5091 -53.6574 31.5092 17.5046 GPRESSURE: 3675600 62.1386 123.764 -35.7034 90.0182 -72.9382 76.2089 -39.8044 33.9025 6.05994 PRESSAVG: 3675600 -9.63992 -33.0797 11.4106 -33.0797 -16.6912 60.1437 11.4107 60.1437 8.86896 GPRESSAVG: 3675600 -9.68501 -34.1636 13.6979 -33.8084 -16.3134 59.4541 10.4556 61.1839 8.51727 TIMING: 3675600 CPU: 11820, 0.00399447/step Wall: 11820, 0.00399447/step, 1.46952 hours remaining, 234.398438 MB of memory in use. ENERGY: 3675600 3991.5643 20550.4197 14516.8603 241.6605 -203325.7256 2697.4590 0.0000 0.0000 51814.2373 -109513.5245 297.7771 -161327.7618 -109154.9217 298.6460 -33.8447 -1.5799 762922.6200 -5.8207 -5.8271 PRESSURE: 3675800 -103.276 -30.4917 -155.874 -30.4924 -3.63954 71.0015 -155.873 71.0001 130.491 GPRESSURE: 3675800 -113.67 -103.059 -130.662 5.71491 121.819 93.3015 -13.27 163.04 82.9727 PRESSAVG: 3675800 87.4768 3.06113 -24.5707 3.0612 -75.0476 0.888726 -24.5707 0.888744 9.27212 GPRESSAVG: 3675800 85.5578 2.85143 -28.507 2.55285 -74.0192 0.705026 -21.834 0.703389 9.00708 TIMING: 3675800 CPU: 11820.8, 0.004015/step Wall: 11820.8, 0.004015/step, 1.47685 hours remaining, 234.398438 MB of memory in use. ENERGY: 3675800 3937.4354 20507.4140 14544.2515 246.8035 -203757.5402 2691.3053 0.0000 0.0000 52264.7097 -109565.6208 300.3660 -161830.3306 -109189.3845 299.2853 7.8584 30.3738 761487.4187 7.2338 6.8486 PRESSURE: 3676000 -142.608 -151.49 120.956 -151.49 -77.6963 -175.221 120.955 -175.22 400.675 GPRESSURE: 3676000 0.0261408 -216.836 49.8578 -130.045 -63.4356 -119.077 75.3747 -242.086 326.535 PRESSAVG: 3676000 13.507 -25.235 -31.781 -25.235 -26.4183 44.4774 -31.781 44.4775 -17.3013 GPRESSAVG: 3676000 16.3214 -22.8222 -31.5812 -26.1796 -28.3079 46.9973 -33.9766 44.9392 -18.0487 TIMING: 3676000 CPU: 11821.6, 0.00403805/step Wall: 11821.6, 0.00403805/step, 1.48511 hours remaining, 234.398438 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: 3676000 3942.3377 20484.0639 14476.8808 240.2623 -203770.0894 2863.1288 0.0000 0.0000 52089.2609 -109674.1549 299.3577 -161763.4159 -109295.6381 298.9835 60.1238 87.7084 760567.2457 -10.0709 -10.0117 PRESSURE: 3676200 104.721 16.4345 203.578 16.4343 -27.5501 102.645 203.578 102.645 248.305 GPRESSURE: 3676200 138.832 9.45717 129.987 93.0275 -58.7657 134.836 182.696 -20.5567 314.445 PRESSAVG: 3676200 30.0631 11.6348 68.4967 11.6348 8.34681 17.9184 68.4967 17.9184 -1.55908 GPRESSAVG: 3676200 27.6036 11.265 68.5961 15.1248 8.69481 16.4767 71.2095 18.2811 -0.0808518 TIMING: 3676200 CPU: 11822.4, 0.00402621/step Wall: 11822.4, 0.00402621/step, 1.48053 hours remaining, 234.398438 MB of memory in use. ENERGY: 3676200 4011.1791 20545.6101 14465.2124 214.9186 -203515.6940 2626.4431 0.0000 0.0000 51754.5697 -109897.7610 297.4342 -161652.3307 -109542.2807 299.1029 108.4917 131.5036 761218.9001 12.2836 12.0725 LDB: ============= START OF LOAD BALANCING ============== 11834.9 LDB: ============== END OF LOAD BALANCING =============== 11834.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11834.9 LDB: ============= START OF LOAD BALANCING ============== 11835.3 LDB: Largest compute 7064 load 0.031761 is 16.4% of average load 0.193318 LDB: Average compute 0.004481 is 2.3% of average load 0.193318 LDB: TIME 11835.3 LOAD: AVG 0.193318 MAX 0.214466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.824 MB LDB: TIME 11835.3 LOAD: AVG 0.193318 MAX 0.214466 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 11835.3 LOAD: AVG 0.193318 MAX 0.214466 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 11835.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11835.4 PRESSURE: 3676400 74.3732 -12.2838 78.7241 -12.2839 -9.35414 -130.569 78.7244 -130.569 -172.389 GPRESSURE: 3676400 25.1315 -42.6344 98.2927 -1.86695 66.8653 -150.402 91.9087 -76.9602 -107.004 PRESSAVG: 3676400 16.5804 1.3924 -9.21044 1.39237 -41.9479 -14.2982 -9.2104 -14.2983 6.67517 GPRESSAVG: 3676400 17.6618 0.495782 -7.90391 0.919525 -42.4327 -14.7664 -11.4809 -14.4084 6.39342 TIMING: 3676400 CPU: 11823.2, 0.00408226/step Wall: 11823.2, 0.00408226/step, 1.50091 hours remaining, 234.851562 MB of memory in use. ENERGY: 3676400 4044.3678 20411.1103 14460.1615 245.9942 -203540.9513 2687.2782 0.0000 0.0000 51884.9906 -109807.0487 298.1838 -161692.0393 -109452.8892 298.4400 -35.7899 -5.0023 761668.3954 -6.2308 -6.1258 PRESSURE: 3676600 -139.677 109.878 213.348 109.877 -117.237 124.209 213.349 124.208 165.589 GPRESSURE: 3676600 -35.3202 58.6053 154.655 168.666 -121.676 215.445 160.689 113.174 161.809 PRESSAVG: 3676600 -40.4809 17.1463 45.4585 17.1463 43.4646 27.6362 45.4585 27.6361 -9.40532 GPRESSAVG: 3676600 -41.7045 16.8859 44.7755 16.5637 44.8239 26.4305 44.7314 28.716 -10.0155 TIMING: 3676600 CPU: 11824, 0.00398887/step Wall: 11824, 0.00398887/step, 1.46635 hours remaining, 234.921875 MB of memory in use. ENERGY: 3676600 4001.9141 20340.2887 14500.7115 259.9094 -203440.6905 2740.3666 0.0000 0.0000 51981.7295 -109615.7707 298.7397 -161597.5002 -109248.3348 298.6745 -30.4416 1.6041 762402.3456 -2.1406 -2.2987 PRESSURE: 3676800 101.052 42.828 -77.9118 42.8274 -34.6942 183.319 -77.9123 183.318 412.218 GPRESSURE: 3676800 75.6452 -44.1747 -43.4418 116.127 106.807 154.781 -0.697261 253.558 382.187 PRESSAVG: 3676800 -29.712 3.70955 20.5998 3.7096 -14.1629 57.1471 20.5998 57.1471 16.7936 GPRESSAVG: 3676800 -29.3391 4.24353 21.7321 2.6772 -14.185 59.1665 20.0084 55.9544 16.6994 TIMING: 3676800 CPU: 11824.8, 0.00400751/step Wall: 11824.8, 0.00400751/step, 1.47298 hours remaining, 235.121094 MB of memory in use. ENERGY: 3676800 3990.7719 20408.4969 14457.4208 247.7754 -203500.0613 2698.3770 0.0000 0.0000 51766.5835 -109930.6357 297.5033 -161697.2192 -109574.7720 298.4735 159.5250 188.2132 760725.2158 -9.0271 -8.9416 PRESSURE: 3677000 209.405 230.672 43.8189 230.671 -137.836 -29.3169 43.8189 -29.3172 43.3096 GPRESSURE: 3677000 178.821 233.986 0.762336 183.584 22.6908 63.7933 73.6506 -198.182 5.16651 PRESSAVG: 3677000 11.9043 29.7331 42.3296 29.7331 -29.3678 23.7134 42.3297 23.7135 6.83051 GPRESSAVG: 3677000 11.1414 29.4892 42.5507 28.9675 -29.1526 23.3333 43.5073 23.7482 7.3798 TIMING: 3677000 CPU: 11825.7, 0.00402042/step Wall: 11825.7, 0.00402042/step, 1.4775 hours remaining, 235.324219 MB of memory in use. ENERGY: 3677000 3991.4707 20384.8672 14428.5332 246.9584 -203567.2596 2558.7411 0.0000 0.0000 52029.5958 -109927.0931 299.0148 -161956.6889 -109572.2513 298.1887 38.2929 68.8928 760405.6699 -3.5443 -3.5438 PRESSURE: 3677200 -186.184 -45.1752 181.832 -45.1754 -56.1075 179.777 181.833 179.777 -69.7239 GPRESSURE: 3677200 -191.517 -124.947 205.571 -52.9973 10.4648 122.756 129.745 104.63 -40.8093 PRESSAVG: 3677200 5.61699 -5.07622 53.3168 -5.07621 -11.8591 26.0078 53.3168 26.0078 0.236219 GPRESSAVG: 3677200 6.07271 -6.28009 52.4074 -2.43013 -11.1895 23.6028 54.6851 25.1833 -0.0751379 TIMING: 3677200 CPU: 11826.5, 0.00404185/step Wall: 11826.5, 0.00404185/step, 1.48516 hours remaining, 235.324219 MB of memory in use. ENERGY: 3677200 3954.6458 20449.1323 14497.9840 245.1662 -203483.0653 2481.6228 0.0000 0.0000 52164.4820 -109690.0322 299.7900 -161854.5142 -109330.0805 298.6641 -104.0052 -73.9539 760728.0684 -2.0020 -1.7306 PRESSURE: 3677400 -207.086 -47.4217 106.83 -47.4212 -173.369 -91.6986 106.83 -91.6991 -66.5218 GPRESSURE: 3677400 -212.988 33.4892 17.6283 -108.976 -160.634 -76.3491 225.133 -56.1538 -0.517725 PRESSAVG: 3677400 -33.7934 -9.92056 -1.54087 -9.9205 -20.456 7.20679 -1.54088 7.20679 3.44142 GPRESSAVG: 3677400 -34.3086 -9.71253 -1.65695 -10.3377 -21.0402 9.87273 -3.13512 8.50469 4.01819 TIMING: 3677400 CPU: 11827.3, 0.0040518/step Wall: 11827.3, 0.0040518/step, 1.48858 hours remaining, 235.324219 MB of memory in use. ENERGY: 3677400 3944.9590 20709.3898 14434.6038 247.7309 -203125.2053 2330.7521 0.0000 0.0000 51824.4058 -109633.3640 297.8356 -161457.7697 -109268.0795 299.2539 -148.9925 -124.7131 763627.4958 -16.9360 -17.1102 PRESSURE: 3677600 -394.675 187.975 -165.981 187.974 -425.155 -71.7478 -165.981 -71.7473 -243.887 GPRESSURE: 3677600 -350.919 77.9786 -105.494 146.247 -359.362 -156.467 -213.815 12.0579 -267.889 PRESSAVG: 3677600 -25.5502 -2.50922 23.9486 -2.50915 18.2992 -13.0101 23.9486 -13.0102 10.828 GPRESSAVG: 3677600 -25.8338 -2.06934 25.2915 -3.69811 17.3223 -14.5334 22.9581 -13.4903 11.5499 TIMING: 3677600 CPU: 11828.1, 0.00400777/step Wall: 11828.1, 0.00400777/step, 1.47219 hours remaining, 235.324219 MB of memory in use. ENERGY: 3677600 3960.1851 20534.4771 14419.8771 261.5447 -203135.5030 2235.1415 0.0000 0.0000 52134.8962 -109589.3813 299.6200 -161724.2775 -109229.7086 298.8948 -354.5724 -326.0565 760182.8035 1.1924 1.0128 PRESSURE: 3677800 -172.326 166.663 -121.424 166.663 -152.433 44.8672 -121.425 44.8666 -42.3046 GPRESSURE: 3677800 -134.637 145.444 -103.083 254.272 -123.304 95.552 -45.8855 56.521 -51.127 PRESSAVG: 3677800 -21.2854 35.8919 6.94541 35.8919 24.1591 -13.2609 6.94543 -13.2608 4.78791 GPRESSAVG: 3677800 -20.2124 37.0014 5.5641 36.0579 24.7517 -14.5728 8.85492 -11.2415 3.0953 TIMING: 3677800 CPU: 11828.9, 0.00397079/step Wall: 11828.9, 0.00397079/step, 1.45838 hours remaining, 235.324219 MB of memory in use. ENERGY: 3677800 3998.3497 20571.0841 14434.3048 259.6975 -203419.5349 2448.1081 0.0000 0.0000 52225.4702 -109482.5205 300.1405 -161707.9907 -109121.4652 299.2295 -122.3547 -103.0224 759955.9419 2.5539 2.5449 PRESSURE: 3678000 -149.865 44.1032 -63.6724 44.1035 271.454 -22.7636 -63.6726 -22.7652 -296.849 GPRESSURE: 3678000 -120.802 14.4899 -73.413 48.0099 253.646 -140.269 -19.7744 34.8697 -238.465 PRESSAVG: 3678000 35.6673 42.7525 -39.0759 42.7525 -21.256 -48.5725 -39.0759 -48.5725 7.79341 GPRESSAVG: 3678000 35.4768 40.9097 -37.5236 44.1812 -21.5139 -46.6069 -40.5015 -50.8825 7.85904 TIMING: 3678000 CPU: 11829.7, 0.00402992/step Wall: 11829.7, 0.00402992/step, 1.47988 hours remaining, 235.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3678000 3958.2577 20496.0172 14486.6269 265.5965 -203406.3423 2603.5618 0.0000 0.0000 52013.5881 -109582.6941 298.9228 -161596.2822 -109212.4605 299.2776 -58.4201 -35.2069 760237.6683 7.4016 7.2740 PRESSURE: 3678200 -168.993 107.961 -8.74289 107.96 -16.2145 416.18 -8.74339 416.18 -50.0749 GPRESSURE: 3678200 -57.766 79.408 -75.0687 152.818 -89.3474 389.491 -11.8743 270.335 -5.29136 PRESSAVG: 3678200 25.3818 24.2882 -1.19272 24.2881 -12.4373 -15.3244 -1.19275 -15.3244 -0.0149301 GPRESSAVG: 3678200 25.3768 26.8539 -2.42298 23.173 -13.3534 -15.3547 -2.99235 -15.5653 0.39345 TIMING: 3678200 CPU: 11830.5, 0.00402036/step Wall: 11830.5, 0.00402036/step, 1.47614 hours remaining, 235.324219 MB of memory in use. ENERGY: 3678200 4036.8932 20513.2492 14431.5026 269.5865 -203013.1226 2225.5010 0.0000 0.0000 51981.1127 -109555.2774 298.7362 -161536.3901 -109189.5036 299.1819 -78.4273 -50.8016 759458.1604 4.3099 4.1390 PRESSURE: 3678400 297.38 -52.5364 92.5254 -52.536 210.068 158.6 92.525 158.599 441.211 GPRESSURE: 3678400 295.945 -23.9491 91.1905 -32.7806 295.631 145.418 41.1332 145.399 433.806 PRESSAVG: 3678400 -4.09015 54.4928 -25.6368 54.4927 -7.22903 -3.82123 -25.6369 -3.82122 -31.93 GPRESSAVG: 3678400 -3.92935 52.591 -26.9393 54.9103 -6.88747 -3.45517 -22.0403 -6.01823 -32.4431 TIMING: 3678400 CPU: 11831.3, 0.00402711/step Wall: 11831.3, 0.00402711/step, 1.4784 hours remaining, 235.324219 MB of memory in use. ENERGY: 3678400 4030.0792 20522.8023 14479.9919 245.0240 -203258.1645 2494.8715 0.0000 0.0000 51968.9346 -109516.4610 298.6662 -161485.3956 -109154.6285 299.1549 316.2197 341.7942 760310.6978 -14.4164 -14.4200 PRESSURE: 3678600 -190.312 -17.9391 24.9196 -17.9396 121.88 -101.537 24.919 -101.536 44.3001 GPRESSURE: 3678600 -160.895 -26.4001 -2.70434 -112.489 171.535 -183.947 -47.1887 27.6944 38.7673 PRESSAVG: 3678600 51.158 -53.9105 -53.9953 -53.9104 -58.2097 5.23253 -53.9953 5.2325 8.41251 GPRESSAVG: 3678600 51.982 -53.8277 -53.6699 -54.2841 -58.4162 5.01362 -55.3642 7.5627 8.06555 TIMING: 3678600 CPU: 11832.1, 0.00401513/step Wall: 11832.1, 0.00401513/step, 1.47377 hours remaining, 235.394531 MB of memory in use. ENERGY: 3678600 3997.0803 20471.3317 14532.8715 234.9797 -203239.4806 2303.5227 0.0000 0.0000 52078.6938 -109621.0009 299.2970 -161699.6947 -109263.4997 298.7041 -8.0440 16.4689 759784.8366 0.4536 0.5438 PRESSURE: 3678800 -24.5587 -65.5476 -153.183 -65.5475 114.191 -158.198 -153.183 -158.199 -728.189 GPRESSURE: 3678800 11.878 78.1127 -96.4433 -115.421 94.0058 -80.9032 -148.7 -270.837 -670.548 PRESSAVG: 3678800 -47.7053 -42.5552 -40.2403 -42.5552 63.9041 69.3391 -40.2403 69.339 -4.12378 GPRESSAVG: 3678800 -49.3843 -39.9246 -40.9922 -43.3723 64.8944 69.195 -39.652 69.7667 -3.13765 TIMING: 3678800 CPU: 11832.9, 0.00398069/step Wall: 11832.9, 0.00398069/step, 1.46091 hours remaining, 235.394531 MB of memory in use. ENERGY: 3678800 3918.8151 20567.2043 14474.6807 236.3082 -203478.8361 2601.9716 0.0000 0.0000 51838.3698 -109841.4865 297.9158 -161679.8563 -109488.1204 298.8138 -212.8525 -188.2213 760246.2107 4.0250 4.1242 PRESSURE: 3679000 284.063 66.3107 -130.861 66.3096 5.53005 0.121624 -130.861 0.121811 -248.871 GPRESSURE: 3679000 350.181 96.6394 -73.4999 12.9662 47.0366 73.1526 -194.296 -10.464 -274.009 PRESSAVG: 3679000 20.3844 4.041 -5.70826 4.04101 -9.14119 63.6863 -5.70827 63.6864 35.9783 GPRESSAVG: 3679000 21.5693 -2.40278 -4.2501 6.79165 -10.0521 63.9103 -5.92448 64.0739 35.5957 TIMING: 3679000 CPU: 11833.7, 0.00400171/step Wall: 11833.7, 0.00400171/step, 1.46841 hours remaining, 235.394531 MB of memory in use. ENERGY: 3679000 4037.7980 20519.1573 14392.7463 246.5658 -203671.9781 2604.1284 0.0000 0.0000 52027.2059 -109844.3763 299.0011 -161871.5822 -109483.8367 298.0781 13.5740 41.0694 760634.3311 15.7405 15.7043 PRESSURE: 3679200 69.5972 199.795 41.3781 199.794 -275.351 178.825 41.3775 178.823 -196.695 GPRESSURE: 3679200 59.2285 123.975 51.123 190.496 -169.682 182.453 78.3814 187.478 -212.174 PRESSAVG: 3679200 -3.34861 52.4411 -15.2551 52.441 -12.1978 -12.7787 -15.2551 -12.7787 -10.5639 GPRESSAVG: 3679200 -2.72028 55.4833 -15.0743 51.5422 -12.1856 -13.8642 -15.3228 -13.2499 -11.1047 TIMING: 3679200 CPU: 11834.5, 0.00402371/step Wall: 11834.5, 0.00402371/step, 1.47625 hours remaining, 235.394531 MB of memory in use. ENERGY: 3679200 3915.4529 20635.6594 14522.7950 248.6629 -203325.1921 2280.4368 0.0000 0.0000 51944.1484 -109778.0367 298.5237 -161722.1851 -109426.9331 298.8769 -134.1495 -107.5425 761131.3516 -8.7034 -8.6702 PRESSURE: 3679400 -252.38 -185.985 128.623 -185.984 -132.816 117.541 128.623 117.54 109.593 GPRESSURE: 3679400 -183.692 -241.868 107.298 -149.679 -93.4449 52.2042 95.6941 75.3318 84.8783 PRESSAVG: 3679400 26.7816 -25.8456 6.82366 -25.8456 -4.16416 30.0412 6.82367 30.0412 5.13422 GPRESSAVG: 3679400 25.8699 -25.8456 6.21684 -26.753 -3.59537 31.4392 5.39459 27.8929 5.09453 TIMING: 3679400 CPU: 11835.3, 0.00399691/step Wall: 11835.3, 0.00399691/step, 1.4662 hours remaining, 235.394531 MB of memory in use. ENERGY: 3679400 3960.9758 20483.0815 14413.1613 253.3779 -203209.4162 2312.5378 0.0000 0.0000 51959.5507 -109826.7312 298.6123 -161786.2819 -109460.3814 298.7249 -91.8677 -64.0861 760965.8597 9.2505 9.1230 PRESSURE: 3679600 -214.329 -123.525 -33.7863 -123.525 26.3349 10.3914 -33.7863 10.3912 -205.672 GPRESSURE: 3679600 -110.99 -36.0586 9.49573 -71.7373 -18.4227 43.5946 -24.0317 3.67518 -196.312 PRESSAVG: 3679600 45.5381 -27.6027 2.327 -27.6027 -45.322 36.8968 2.32706 36.8968 8.80583 GPRESSAVG: 3679600 46.33 -25.5437 1.87921 -28.2824 -46.4266 36.396 4.22755 37.8488 9.06951 TIMING: 3679600 CPU: 11836.1, 0.00398726/step Wall: 11836.1, 0.00398726/step, 1.46244 hours remaining, 235.394531 MB of memory in use. ENERGY: 3679600 3943.4150 20309.7966 14415.4091 233.6889 -202640.8613 1971.9412 0.0000 0.0000 51891.3440 -109875.2665 298.2203 -161766.6105 -109514.5906 298.7013 -131.2222 -108.5747 761155.1356 3.0073 2.9910 PRESSURE: 3679800 -155.359 -126.282 69.1782 -126.283 218.372 151.303 69.1782 151.304 -241.85 GPRESSURE: 3679800 -47.2662 -165.828 59.3854 -205.085 149.154 187.338 118.953 74.2554 -192.664 PRESSAVG: 3679800 9.78869 23.0349 59.6336 23.0349 1.14781 15.0204 59.6336 15.0205 -7.8378 GPRESSAVG: 3679800 9.72277 22.282 60.6245 23.8653 0.721472 15.7973 58.3261 14.5901 -7.26537 TIMING: 3679800 CPU: 11836.9, 0.00401982/step Wall: 11836.9, 0.00401982/step, 1.47416 hours remaining, 235.394531 MB of memory in use. ENERGY: 3679800 4019.8988 20442.0720 14419.0064 264.5310 -203526.7587 2491.3341 0.0000 0.0000 51996.4012 -109893.5152 298.8240 -161889.9164 -109533.8290 297.9470 -59.6123 -30.2589 760426.1352 1.0329 1.0596 PRESSURE: 3680000 40.8876 -62.3689 110.313 -62.3685 78.3691 106.685 110.313 106.684 91.6871 GPRESSURE: 3680000 98.3575 13.3523 109.991 -28.6322 97.2307 130.545 72.7709 107.034 100.548 PRESSAVG: 3680000 -23.1547 24.2807 46.867 24.2807 30.9351 39.4776 46.8669 39.4776 9.93923 GPRESSAVG: 3680000 -24.1867 22.2205 46.0928 24.0785 33.02 37.6673 48.6656 40.6485 9.0038 TIMING: 3680000 CPU: 11837.7, 0.00404513/step Wall: 11837.7, 0.00404513/step, 1.48321 hours remaining, 235.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3680000 3967.3572 20378.8475 14502.0136 246.7652 -203315.1326 2667.5301 0.0000 0.0000 51797.2222 -109755.3968 297.6793 -161552.6190 -109389.7584 298.2705 70.3146 98.7121 760811.0420 5.9066 5.9457 PRESSURE: 3680200 -189.416 130.989 87.514 130.989 -337.793 -68.6887 87.5141 -68.6883 -355.063 GPRESSURE: 3680200 -160.394 70.5246 102.714 80.4894 -276.658 9.37836 160.073 -186.484 -366.42 PRESSAVG: 3680200 26.5895 -47.8763 -13.8539 -47.8763 -32.7291 37.0002 -13.8539 37.0003 -3.53942 GPRESSAVG: 3680200 27.4992 -44.9636 -12.6408 -47.8276 -34.0379 36.7281 -15.279 36.6639 -3.46917 TIMING: 3680200 CPU: 11838.5, 0.00399628/step Wall: 11838.5, 0.00399628/step, 1.46508 hours remaining, 235.394531 MB of memory in use. ENERGY: 3680200 4052.3651 20528.9208 14456.5839 238.8833 -203052.8863 2277.6882 0.0000 0.0000 51657.6971 -109840.7480 296.8775 -161498.4451 -109483.2147 297.9893 -294.0906 -267.8241 760930.0752 -3.2264 -3.3360 LDB: ============= START OF LOAD BALANCING ============== 11851 LDB: ============== END OF LOAD BALANCING =============== 11851 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11851 LDB: ============= START OF LOAD BALANCING ============== 11851.4 LDB: Largest compute 7025 load 0.029542 is 15.3% of average load 0.193352 LDB: Average compute 0.004453 is 2.3% of average load 0.193352 LDB: TIME 11851.4 LOAD: AVG 0.193352 MAX 0.219282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.375 MB LDB: TIME 11851.4 LOAD: AVG 0.193352 MAX 0.219282 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.379 MB LDB: TIME 11851.4 LOAD: AVG 0.193352 MAX 0.215098 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.379 MB LDB: ============== END OF LOAD BALANCING =============== 11851.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11851.4 PRESSURE: 3680400 -464.087 -75.7959 -236.349 -75.7955 -336.097 24.6194 -236.348 24.6192 -370.949 GPRESSURE: 3680400 -388.165 45.8255 -266.776 -117.202 -337.135 61.3621 -169.413 108.844 -372.129 PRESSAVG: 3680400 46.1488 -34.41 16.5237 -34.41 -28.9272 40.9001 16.5237 40.9001 18.9421 GPRESSAVG: 3680400 45.9631 -35.4147 15.1706 -35.675 -28.7035 43.6909 16.128 40.9509 18.6722 TIMING: 3680400 CPU: 11839.3, 0.00406348/step Wall: 11839.3, 0.00406348/step, 1.48949 hours remaining, 235.484375 MB of memory in use. ENERGY: 3680400 4044.6337 20458.8389 14498.6305 235.0766 -203080.7753 2221.1023 0.0000 0.0000 51893.0859 -109729.4074 298.2303 -161622.4933 -109369.1643 298.6019 -390.3780 -365.8098 759940.9307 12.0546 11.9773 PRESSURE: 3680600 270.94 -244.626 33.7919 -244.626 -416.904 311.845 33.7917 311.845 -131.428 GPRESSURE: 3680600 288.092 -195.153 33.1205 -224.051 -463.258 276.34 126.849 301.264 -15.8782 PRESSAVG: 3680600 20.558 -13.8436 49.4232 -13.8435 -4.44915 12.4566 49.4233 12.4566 1.00934 GPRESSAVG: 3680600 19.6661 -16.0937 49.5213 -10.9236 -5.15852 11.2798 51.4687 10.8687 2.5398 TIMING: 3680600 CPU: 11840.1, 0.00402512/step Wall: 11840.1, 0.00402512/step, 1.47521 hours remaining, 235.878906 MB of memory in use. ENERGY: 3680600 3987.2288 20387.4102 14535.2190 250.4771 -203735.6267 2762.3276 0.0000 0.0000 51923.4915 -109889.4726 298.4050 -161812.9641 -109534.6089 298.3082 -92.4639 -63.6814 758643.3421 5.7061 5.6825 PRESSURE: 3680800 275.139 107.087 332.837 107.087 -303.156 -245.624 332.837 -245.624 -309.455 GPRESSURE: 3680800 267.072 134.68 295.084 89.9752 -235.758 -252.932 285.169 -235.814 -308.775 PRESSAVG: 3680800 84.1474 -6.98216 75.1183 -6.98219 -103.345 89.006 75.1183 89.006 -18.5822 GPRESSAVG: 3680800 84.8434 -4.26995 75.2035 -7.54708 -103.612 88.8947 74.572 91.4033 -19.0977 TIMING: 3680800 CPU: 11840.9, 0.00402397/step Wall: 11840.9, 0.00402397/step, 1.47456 hours remaining, 235.878906 MB of memory in use. ENERGY: 3680800 4010.6688 20555.3791 14452.7683 229.0627 -203101.3393 2156.5808 0.0000 0.0000 51722.5580 -109974.3215 297.2503 -161696.8795 -109615.3045 297.8523 -112.4910 -92.4868 760417.0179 -12.5932 -12.6221 PRESSURE: 3681000 -441.525 76.3413 372.039 76.3415 -191.86 125.182 372.04 125.182 -415.762 GPRESSURE: 3681000 -393.536 10.9439 396.704 143.507 -184.398 152.886 374.579 32.3054 -392.58 PRESSAVG: 3681000 117.33 36.1651 26.5796 36.1652 -113.258 11.3556 26.5795 11.3556 7.49061 GPRESSAVG: 3681000 116.164 34.3311 26.9286 37.2097 -111.967 10.8568 26.3548 10.9974 7.30673 TIMING: 3681000 CPU: 11841.7, 0.00400999/step Wall: 11841.7, 0.00400999/step, 1.46922 hours remaining, 235.878906 MB of memory in use. ENERGY: 3681000 4089.9769 20472.8557 14482.4316 232.7970 -203265.3788 2289.1442 0.0000 0.0000 51825.6099 -109872.5635 297.8425 -161698.1734 -109516.4956 297.9561 -349.7159 -323.5046 760929.6754 3.8540 3.8345 PRESSURE: 3681200 393.21 -251.966 43.2991 -251.966 277.921 193.136 43.2995 193.135 230.314 GPRESSURE: 3681200 393.097 -188.579 41.5928 -136.571 362.476 225.279 -87.8646 164.192 232.467 PRESSAVG: 3681200 95.2531 -29.5995 50.1978 -29.5995 -61.3834 -23.3694 50.1978 -23.3694 -9.78954 GPRESSAVG: 3681200 95.5502 -29.9311 50.7583 -30.8852 -62.1188 -24.1165 50.45 -23.1317 -9.24904 TIMING: 3681200 CPU: 11842.5, 0.00404425/step Wall: 11842.5, 0.00404425/step, 1.48154 hours remaining, 236.078125 MB of memory in use. ENERGY: 3681200 3986.0934 20432.7570 14478.9391 243.4442 -203184.4331 2549.8608 0.0000 0.0000 51795.7685 -109697.5700 297.6710 -161493.3385 -109337.7502 298.1842 300.4815 329.3466 759826.5302 8.0267 8.0608 PRESSURE: 3681400 -126.574 -256.335 -183.341 -256.336 222.146 191.882 -183.342 191.882 22.4656 GPRESSURE: 3681400 -71.6796 -185.44 -237.387 -208.7 200.762 180.604 -154.812 12.9215 60.9159 PRESSAVG: 3681400 75.7198 -9.64117 -25.6367 -9.64123 -87.7937 20.9408 -25.6367 20.9409 12.4354 GPRESSAVG: 3681400 73.9353 -8.2476 -27.3979 -9.4732 -86.5431 20.3283 -24.7074 22.0012 12.4785 TIMING: 3681400 CPU: 11843.3, 0.00402773/step Wall: 11843.3, 0.00402773/step, 1.47527 hours remaining, 236.078125 MB of memory in use. ENERGY: 3681400 3936.4277 20543.3793 14465.2415 247.2475 -203532.0989 2776.7578 0.0000 0.0000 51945.3761 -109617.6690 298.5308 -161563.0452 -109266.1544 298.8391 39.3460 63.3328 761540.1913 0.1205 -0.0431 PRESSURE: 3681600 21.5145 142.574 121.391 142.575 -350.163 -35.413 121.391 -35.414 -264.959 GPRESSURE: 3681600 83.3409 97.9686 69.4984 152.631 -309.946 -74.6772 157.156 -8.5979 -253.321 PRESSAVG: 3681600 -3.84282 23.16 36.7795 23.16 -16.1226 26.0399 36.7795 26.0399 -8.87607 GPRESSAVG: 3681600 -1.54758 23.5263 35.9479 22.6424 -17.2756 27.6248 36.5051 24.0099 -10.1803 TIMING: 3681600 CPU: 11844.1, 0.00403796/step Wall: 11844.1, 0.00403796/step, 1.47879 hours remaining, 236.078125 MB of memory in use. ENERGY: 3681600 3923.1684 20389.2591 14499.6216 235.8874 -202672.7862 2095.2360 0.0000 0.0000 51884.8505 -109644.7633 298.1829 -161529.6138 -109281.8621 298.7554 -197.8692 -159.9753 761739.6146 -9.6138 -9.6678 PRESSURE: 3681800 200.087 209.828 166.956 209.828 -100.863 -19.5362 166.955 -19.5359 -118.655 GPRESSURE: 3681800 277.935 116.032 202.16 98.0184 -72.8059 -16.6865 50.92 -59.2187 -149.759 PRESSAVG: 3681800 35.5449 -6.52157 -0.232978 -6.52157 -11.0978 2.56473 -0.232964 2.56477 5.95026 GPRESSAVG: 3681800 34.3264 -6.48479 1.73031 -6.5463 -10.9225 1.6466 -1.54091 2.38339 6.72946 TIMING: 3681800 CPU: 11845, 0.00406377/step Wall: 11845, 0.00406377/step, 1.48802 hours remaining, 236.078125 MB of memory in use. ENERGY: 3681800 3926.6489 20359.7875 14468.3160 242.1107 -203050.6086 2536.2262 0.0000 0.0000 51980.2819 -109537.2375 298.7314 -161517.5194 -109183.9790 298.7639 -6.4772 18.4569 760642.4831 10.1324 10.0445 PRESSURE: 3682000 302.303 283.772 -155.38 283.772 11.0052 -21.6586 -155.38 -21.66 147.876 GPRESSURE: 3682000 384.793 240.416 -92.2256 255.717 16.3734 -87.6101 -162.668 -60.4195 122.436 PRESSAVG: 3682000 45.9315 3.47614 3.17235 3.47625 -81.3444 -13.7012 3.17235 -13.7011 0.525794 GPRESSAVG: 3682000 46.1217 3.35181 2.33 2.94241 -81.5635 -12.6761 4.00869 -12.8613 0.176121 TIMING: 3682000 CPU: 11845.8, 0.00405599/step Wall: 11845.8, 0.00405599/step, 1.48494 hours remaining, 236.078125 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: 3682000 3937.9600 20370.5328 14436.3458 246.6617 -202940.2543 2353.8528 0.0000 0.0000 52115.4453 -109479.4558 299.5082 -161594.9011 -109117.8293 298.7146 153.7280 174.5343 761179.7288 -11.6290 -11.7552 PRESSURE: 3682200 60.5726 234.062 233.466 234.063 29.6012 35.6586 233.468 35.6588 -7.02236 GPRESSURE: 3682200 2.21622 352.714 251.772 220.622 116.091 62.625 188.037 98.0985 24.8082 PRESSAVG: 3682200 16.9862 56.3331 48.3393 56.3332 -40.4204 0.619527 48.3393 0.619435 -18.1899 GPRESSAVG: 3682200 17.4031 55.7309 48.0279 57.6466 -41.3268 0.531786 48.6248 0.973823 -17.5122 TIMING: 3682200 CPU: 11846.6, 0.00408734/step Wall: 11846.6, 0.00408734/step, 1.49619 hours remaining, 236.078125 MB of memory in use. ENERGY: 3682200 3975.1297 20378.0674 14445.4510 281.3894 -203205.7235 2521.5614 0.0000 0.0000 52232.8076 -109371.3170 300.1827 -161604.1246 -109016.6693 299.2172 27.7171 47.7050 761406.2441 -13.8747 -13.8120 PRESSURE: 3682400 -19.4584 -7.24907 9.94926 -7.24877 -249.015 124.308 9.94898 124.308 89.2998 GPRESSURE: 3682400 29.6305 -61.8726 -55.6365 -82.9553 -148.801 92.8866 4.73634 210.447 38.5076 PRESSAVG: 3682400 44.3509 10.5244 36.3337 10.5244 -28.8594 19.3197 36.3337 19.3197 4.01306 GPRESSAVG: 3682400 44.6919 10.9121 36.048 6.93554 -29.2674 19.7796 35.5851 18.696 4.05334 TIMING: 3682400 CPU: 11847.4, 0.00401951/step Wall: 11847.4, 0.00401951/step, 1.47114 hours remaining, 236.078125 MB of memory in use. ENERGY: 3682400 4027.7457 20477.9603 14435.1929 289.5967 -202653.1579 2317.8692 0.0000 0.0000 51863.1107 -109241.6825 298.0580 -161104.7932 -108877.6406 299.3487 -59.7244 -26.8876 762616.3321 6.5015 6.4926 PRESSURE: 3682600 -449.917 -98.5722 -81.7455 -98.5724 111.772 168.649 -81.7456 168.649 96.916 GPRESSURE: 3682600 -349.948 -140.489 -100.124 -50.0831 145.141 156.295 -24.8829 148.073 51.1006 PRESSAVG: 3682600 64.6876 6.77705 -3.28758 6.77707 -3.53699 -16.0128 -3.28758 -16.0128 3.83895 GPRESSAVG: 3682600 64.9422 5.29394 -2.79988 10.4439 -3.10458 -15.1546 -2.0389 -17.6724 3.41767 TIMING: 3682600 CPU: 11848.2, 0.00401605/step Wall: 11848.2, 0.00401605/step, 1.46965 hours remaining, 236.078125 MB of memory in use. ENERGY: 3682600 3965.0956 20663.8860 14431.3831 261.1746 -202904.9663 2320.2705 0.0000 0.0000 52052.0935 -109211.0629 299.1441 -161263.1564 -108860.9096 299.8253 -80.4098 -51.2355 760283.1246 21.6632 21.7518 PRESSURE: 3682800 -87.8243 -70.2243 -195.802 -70.2235 -313.995 -198.723 -195.801 -198.722 -27.0684 GPRESSURE: 3682800 -54.7465 -107.829 -173.134 -121.92 -343.137 -170.198 -165.828 -168.629 31.2351 PRESSAVG: 3682800 14.4815 -33.2203 22.7033 -33.2202 -25.2673 14.8583 22.7033 14.8583 16.9885 GPRESSAVG: 3682800 14.3199 -30.8368 22.3894 -34.5464 -25.2932 15.0998 21.7063 15.1574 17.3333 TIMING: 3682800 CPU: 11849, 0.00405224/step Wall: 11849, 0.00405224/step, 1.48267 hours remaining, 236.078125 MB of memory in use. ENERGY: 3682800 3917.4592 20470.8405 14498.7875 228.0858 -202657.3569 2232.4538 0.0000 0.0000 51882.1761 -109427.5539 298.1676 -161309.7301 -109060.7921 299.2317 -142.9625 -122.2163 761065.5447 2.0676 2.1200 PRESSURE: 3683000 44.1763 28.7832 150.624 28.7837 -453.111 -65.5525 150.624 -65.5529 -13.8285 GPRESSURE: 3683000 -27.0842 18.3894 197.82 115.456 -325.253 -3.65564 162.354 -67.9112 22.4444 PRESSAVG: 3683000 67.8961 -73.9077 -10.9151 -73.9077 -76.927 -33.2381 -10.9151 -33.2382 0.583393 GPRESSAVG: 3683000 67.5683 -74.4366 -11.1034 -74.2682 -75.809 -35.128 -9.78904 -32.1097 0.704719 TIMING: 3683000 CPU: 11849.8, 0.0040151/step Wall: 11849.8, 0.0040151/step, 1.46886 hours remaining, 236.078125 MB of memory in use. ENERGY: 3683000 3910.1171 20535.2670 14441.7244 232.9452 -203055.1432 2521.4237 0.0000 0.0000 52122.5622 -109291.1034 299.5491 -161413.6656 -108912.3848 299.1709 -140.9211 -109.9643 762576.4482 -2.8158 -2.5120 PRESSURE: 3683200 -89.2255 -125.215 93.1332 -125.215 50.8439 63.3802 93.1338 63.3797 138.585 GPRESSURE: 3683200 -148.104 -72.3777 92.3909 -54.9394 112.058 110.697 34.9407 21.6894 225.47 PRESSAVG: 3683200 58.5062 -60.8585 9.62236 -60.8585 -12.1088 -27.9748 9.62241 -27.9747 15.1138 GPRESSAVG: 3683200 59.8539 -62.0509 9.74074 -59.6886 -13.0479 -26.4837 10.5693 -28.4234 14.7172 TIMING: 3683200 CPU: 11850.6, 0.00402351/step Wall: 11850.6, 0.00402351/step, 1.47171 hours remaining, 236.078125 MB of memory in use. ENERGY: 3683200 3955.5112 20587.6983 14494.3765 245.8528 -202983.9278 2474.2282 0.0000 0.0000 52006.3803 -109219.8805 298.8814 -161226.2608 -108857.0325 299.5868 33.4011 63.1413 762111.8997 20.5037 20.5078 PRESSURE: 3683400 118.955 -127.909 208.201 -127.909 32.5814 -54.5444 208.2 -54.5446 398.226 GPRESSURE: 3683400 167.902 -120.479 116.181 104.125 103.91 32.2363 36.6554 -121.391 355.362 PRESSAVG: 3683400 44.7433 -21.6243 -16.9705 -21.6243 -16.1488 63.1399 -16.9705 63.1399 -6.23898 GPRESSAVG: 3683400 43.478 -19.957 -15.4419 -23.1411 -15.0373 62.7223 -17.8948 64.1556 -6.09611 TIMING: 3683400 CPU: 11851.4, 0.00407994/step Wall: 11851.4, 0.00407994/step, 1.49212 hours remaining, 236.078125 MB of memory in use. ENERGY: 3683400 3965.2756 20467.4190 14512.2582 246.9045 -203094.2369 2416.9188 0.0000 0.0000 52180.1077 -109305.3531 299.8798 -161485.4607 -108941.0511 299.8120 183.2541 209.0579 761336.6602 7.4518 7.4482 PRESSURE: 3683600 -314.638 221.78 -112.525 221.78 -231.257 69.8349 -112.525 69.8356 -113.808 GPRESSURE: 3683600 -290.665 148.999 -16.9295 164.423 -259.465 -0.382669 -63.7469 43.206 -28.65 PRESSAVG: 3683600 5.1457 -36.2199 9.60586 -36.2199 -26.1903 -38.0012 9.60591 -38.0012 22.8247 GPRESSAVG: 3683600 4.70307 -36.9241 9.88507 -33.7023 -26.8056 -38.3509 8.11847 -38.6396 23.3618 TIMING: 3683600 CPU: 11852.2, 0.00402825/step Wall: 11852.2, 0.00402825/step, 1.473 hours remaining, 236.078125 MB of memory in use. ENERGY: 3683600 3998.0388 20459.9818 14620.3759 263.2991 -202935.8601 2285.0987 0.0000 0.0000 52036.2296 -109272.8361 299.0529 -161309.0657 -108908.1331 299.2828 -219.9010 -192.9265 762170.3158 0.5934 0.4197 PRESSURE: 3683800 -528.179 -82.9644 -191.349 -82.9639 -257.116 107.979 -191.349 107.979 -181.754 GPRESSURE: 3683800 -460.092 -136.523 -153.379 -156.2 -262.898 137.786 -88.6842 38.8914 -165.361 PRESSAVG: 3683800 6.78423 19.8517 22.413 19.8518 -9.24496 25.5577 22.413 25.5576 16.4871 GPRESSAVG: 3683800 7.14117 20.852 19.7413 18.0011 -7.34104 24.2536 26.4923 24.8825 14.316 TIMING: 3683800 CPU: 11853, 0.00401149/step Wall: 11853, 0.00401149/step, 1.46664 hours remaining, 236.078125 MB of memory in use. ENERGY: 3683800 4025.7543 20483.8836 14492.0431 254.3316 -203038.8865 2394.8691 0.0000 0.0000 52108.6592 -109279.3456 299.4692 -161388.0048 -108910.6880 299.5626 -322.3497 -296.1172 761162.0508 4.6755 4.7054 PRESSURE: 3684000 -86.2623 -298.879 1.95533 -298.879 -78.6236 135.337 1.95552 135.336 -82.0114 GPRESSURE: 3684000 -101.726 -248.775 29.418 -276.489 -20.0125 133.052 59.6402 164.581 -39.3872 PRESSAVG: 3684000 -47.816 -1.73735 49.9512 -1.73735 51.6205 -38.0562 49.9512 -38.0562 11.4006 GPRESSAVG: 3684000 -47.2789 -1.42988 50.4938 -2.35349 50.891 -36.8746 48.4347 -36.2161 12.0726 TIMING: 3684000 CPU: 11853.8, 0.00402342/step Wall: 11853.8, 0.00402342/step, 1.47078 hours remaining, 236.078125 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: 3684000 3960.7167 20348.1182 14481.8485 250.2390 -203286.9246 2678.1519 0.0000 0.0000 52132.5735 -109435.2767 299.6066 -161567.8502 -109065.2783 299.0132 -82.2991 -53.7086 762780.8506 5.0684 5.2282 PRESSURE: 3684200 -59.6192 20.7766 -112.782 20.7758 -26.388 -197.714 -112.783 -197.714 -56.7954 GPRESSURE: 3684200 35.2774 27.8745 -79.4287 -45.906 -24.7611 -151.504 -86.0003 -83.8292 -70.1307 PRESSAVG: 3684200 -24.3887 30.4036 11.42 30.4036 45.3315 -14.5319 11.42 -14.5319 -3.90194 GPRESSAVG: 3684200 -24.1871 29.5541 11.5988 30.3456 44.5905 -15.2435 12.2588 -13.4432 -3.24233 TIMING: 3684200 CPU: 11854.6, 0.00402612/step Wall: 11854.6, 0.00402612/step, 1.47155 hours remaining, 236.078125 MB of memory in use. ENERGY: 3684200 3936.2777 20486.9717 14491.9456 248.2748 -203153.2222 2512.0418 0.0000 0.0000 51812.1226 -109665.5879 297.7650 -161477.7105 -109311.4105 298.8192 -47.6009 -19.8714 762597.1126 5.6803 5.7204 LDB: ============= START OF LOAD BALANCING ============== 11867.2 LDB: ============== END OF LOAD BALANCING =============== 11867.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11867.2 LDB: ============= START OF LOAD BALANCING ============== 11867.6 LDB: Largest compute 7033 load 0.031217 is 16.2% of average load 0.193283 LDB: Average compute 0.004455 is 2.3% of average load 0.193283 LDB: TIME 11867.6 LOAD: AVG 0.193283 MAX 0.213338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.125 MB LDB: TIME 11867.6 LOAD: AVG 0.193283 MAX 0.213338 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.125 MB LDB: TIME 11867.6 LOAD: AVG 0.193283 MAX 0.213338 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.125 MB LDB: ============== END OF LOAD BALANCING =============== 11867.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11867.6 PRESSURE: 3684400 -121.294 -233.665 -184.047 -233.665 -256.498 -202.925 -184.047 -202.925 -237.77 GPRESSURE: 3684400 -164.287 -275.589 -142.594 -138.59 -152.375 -221.723 -235.19 -231.431 -215.606 PRESSAVG: 3684400 -22.1304 -4.3661 37.193 -4.36606 42.8005 -8.13077 37.1929 -8.13078 -9.4943 GPRESSAVG: 3684400 -22.5788 -5.29 38.0601 -2.26549 43.5151 -7.97597 33.5595 -10.5095 -10.0367 TIMING: 3684400 CPU: 11855.5, 0.00410207/step Wall: 11855.5, 0.00410207/step, 1.49908 hours remaining, 233.570312 MB of memory in use. ENERGY: 3684400 3884.5726 20414.6397 14500.7682 249.1144 -203028.5252 2530.2797 0.0000 0.0000 51775.4986 -109673.6520 297.5545 -161449.1506 -109313.6490 298.3398 -205.1872 -177.4226 762591.3828 3.7253 3.6332 PRESSURE: 3684600 211.07 -169.66 118.94 -169.66 134.151 133.702 118.94 133.701 263.219 GPRESSURE: 3684600 123.993 -69.3375 90.2808 -116.545 212.11 142.332 88.8342 106.057 352.732 PRESSAVG: 3684600 -46.1611 -4.19274 7.28967 -4.19268 45.5443 31.426 7.28968 31.426 -32.4682 GPRESSAVG: 3684600 -47.2074 -0.914108 7.49496 -4.67727 45.8471 29.8013 9.09606 32.7817 -31.8844 TIMING: 3684600 CPU: 11856.3, 0.00407535/step Wall: 11856.3, 0.00407535/step, 1.48909 hours remaining, 233.570312 MB of memory in use. ENERGY: 3684600 3970.2468 20533.7696 14553.7518 242.8869 -203623.4309 2872.0931 0.0000 0.0000 52034.3962 -109416.2864 299.0424 -161450.6826 -109052.6154 298.4157 202.8137 229.6116 761028.1886 -11.0283 -11.0815 PRESSURE: 3684800 -219.617 151.337 -155.366 151.338 -74.5186 -100.916 -155.367 -100.915 142.198 GPRESSURE: 3684800 -183.966 -26.7768 -138.267 144.302 -41.3357 -114.702 -111.61 78.6454 152.678 PRESSAVG: 3684800 -19.8389 -11.6867 -25.314 -11.6866 12.8868 69.4599 -25.314 69.46 -8.29822 GPRESSAVG: 3684800 -19.4524 -14.363 -24.4866 -12.1122 13.1143 71.2907 -24.8627 68.2191 -8.8854 TIMING: 3684800 CPU: 11857.1, 0.00403432/step Wall: 11857.1, 0.00403432/step, 1.47387 hours remaining, 233.570312 MB of memory in use. ENERGY: 3684800 3936.1395 20598.8536 14546.4199 243.7618 -203302.2146 2526.4948 0.0000 0.0000 52058.2215 -109392.3236 299.1793 -161450.5451 -109033.9047 299.3784 -50.6458 -24.2079 761461.1097 -5.0834 -5.0745 PRESSURE: 3685000 -130.383 -141.69 55.4173 -141.69 -91.7741 247.128 55.4182 247.128 283.888 GPRESSURE: 3685000 -107.212 -30.1486 95.2345 -41.5596 -68.8171 130.199 50.9997 359.925 317.192 PRESSAVG: 3685000 -0.726374 20.4717 -55.7624 20.4718 30.0601 15.1463 -55.7623 15.1463 -13.7648 GPRESSAVG: 3685000 0.128738 20.5578 -56.2545 20.7814 27.5827 15.0068 -55.8857 15.8699 -12.2301 TIMING: 3685000 CPU: 11857.9, 0.00405856/step Wall: 11857.9, 0.00405856/step, 1.4825 hours remaining, 233.570312 MB of memory in use. ENERGY: 3685000 3968.3167 20709.8695 14521.5642 253.3180 -203313.0597 2568.1944 0.0000 0.0000 51920.9463 -109370.8507 298.3904 -161291.7970 -109010.6122 299.1754 20.5769 47.0545 761032.9220 5.1897 5.1604 PRESSURE: 3685200 -294.704 93.6045 32.7387 93.6047 97.7454 150.447 32.7388 150.447 43.6281 GPRESSURE: 3685200 -240.316 216.048 -18.4558 22.3808 166.636 130.136 45.4926 140.812 -3.99525 PRESSAVG: 3685200 5.17373 -11.5646 11.0104 -11.5645 -29.9961 -0.604591 11.0104 -0.60466 4.92887 GPRESSAVG: 3685200 4.71749 -9.34989 9.9034 -14.5234 -28.213 0.261662 10.5896 -1.9906 3.5914 TIMING: 3685200 CPU: 11858.7, 0.00404745/step Wall: 11858.7, 0.00404745/step, 1.47822 hours remaining, 233.570312 MB of memory in use. ENERGY: 3685200 3917.4996 20566.0231 14486.5913 215.9956 -203520.7471 2530.4026 0.0000 0.0000 52271.1091 -109533.1257 300.4028 -161804.2348 -109166.6794 299.2854 -51.1102 -25.8915 760612.5196 -6.6312 -6.6347 PRESSURE: 3685400 386.757 -140.817 73.5518 -140.817 249.107 26.5318 73.5522 26.5319 -51.4905 GPRESSURE: 3685400 311.17 -64.2111 179.099 -84.3906 346.241 57.1641 -35.9174 26.2102 12.5871 PRESSAVG: 3685400 -13.0748 27.8753 42.3789 27.8753 12.8791 26.5058 42.3789 26.5058 5.92546 GPRESSAVG: 3685400 -13.7474 28.0199 43.1549 30.4823 13.0904 26.1517 41.2628 27.742 6.38494 TIMING: 3685400 CPU: 11859.5, 0.00403911/step Wall: 11859.5, 0.00403911/step, 1.47495 hours remaining, 233.570312 MB of memory in use. ENERGY: 3685400 3952.6098 20507.6803 14520.9179 230.2033 -203519.7005 2568.9057 0.0000 0.0000 52230.4786 -109508.9049 300.1693 -161739.3835 -109146.3862 298.8366 194.7908 223.3328 760256.0300 1.9099 1.9093 PRESSURE: 3685600 -82.0888 64.6782 -58.1521 64.6779 55.3807 -2.91682 -58.1514 -2.91668 167.586 GPRESSURE: 3685600 -65.0471 94.1728 -50.3822 -0.994973 94.5364 43.3809 -40.1811 -21.9442 187.99 PRESSAVG: 3685600 -2.22757 -17.1856 -23.6866 -17.1856 19.1985 -1.11598 -23.6866 -1.11598 9.34537 GPRESSAVG: 3685600 -1.25813 -20.8084 -23.28 -17.9434 18.7828 -2.54489 -24.5566 -2.49435 8.43045 TIMING: 3685600 CPU: 11860.3, 0.00405588/step Wall: 11860.3, 0.00405588/step, 1.48085 hours remaining, 233.570312 MB of memory in use. ENERGY: 3685600 4092.3393 20430.6944 14488.7283 242.6381 -203732.4262 2822.7786 0.0000 0.0000 52317.1333 -109338.1141 300.6673 -161655.2474 -108973.3666 299.4431 46.9594 72.4931 760007.6660 8.7721 8.6517 PRESSURE: 3685800 -18.8695 14.2588 64.1394 14.2595 -258.16 83.7786 64.1399 83.7785 -369.218 GPRESSURE: 3685800 70.9068 32.4528 87.6367 -31.2446 -225.923 133.389 124.275 -10.2785 -399.804 PRESSAVG: 3685800 15.2126 -62.8159 9.56506 -62.8159 4.29474 1.17466 9.56507 1.1746 18.2343 GPRESSAVG: 3685800 14.7328 -60.9729 9.06443 -62.8528 4.94851 1.06416 10.9947 4.56897 18.2952 TIMING: 3685800 CPU: 11861.1, 0.00404065/step Wall: 11861.1, 0.00404065/step, 1.47506 hours remaining, 233.570312 MB of memory in use. ENERGY: 3685800 3975.1239 20498.3806 14530.1200 257.1490 -203277.1245 2348.1608 0.0000 0.0000 52263.7308 -109404.4594 300.3604 -161668.1902 -109034.4475 299.8282 -215.4160 -184.9400 760083.5226 12.5805 12.6588 PRESSURE: 3686000 -89.4212 25.7572 -199.766 25.7569 -224.286 -164.13 -199.766 -164.13 508.889 GPRESSURE: 3686000 -55.2534 -11.0512 -166.216 -84.211 -178.811 -165.804 -297.271 -161.947 503.576 PRESSAVG: 3686000 -18.062 -21.7916 3.96348 -21.7915 -43.7934 -2.974 3.96346 -2.97391 13.7704 GPRESSAVG: 3686000 -18.3205 -20.9711 2.72478 -20.3138 -43.9195 -2.69315 4.25482 -5.75566 13.9264 TIMING: 3686000 CPU: 11861.9, 0.00407743/step Wall: 11861.9, 0.00407743/step, 1.48826 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3686000 3946.7370 20589.9304 14577.4395 269.5465 -203142.9598 2149.8500 0.0000 0.0000 52255.5908 -109353.8656 300.3136 -161609.4564 -108987.5945 299.7328 65.0607 89.8372 759218.7224 -16.0283 -16.1045 PRESSURE: 3686200 89.3198 176.598 76.4198 176.6 209.456 -144.255 76.4202 -144.255 341.539 GPRESSURE: 3686200 142.547 176.387 105.07 110.168 244.038 -109.416 82.1254 -86.9079 322.304 PRESSAVG: 3686200 9.32122 -0.691605 13.2512 -0.691648 -3.75015 -8.36466 13.2513 -8.36467 10.4468 GPRESSAVG: 3686200 9.86387 -0.755874 14.7661 -1.88975 -3.70557 -8.47213 12.3583 -7.32457 9.62313 TIMING: 3686200 CPU: 11862.8, 0.00406335/step Wall: 11862.8, 0.00406335/step, 1.4829 hours remaining, 233.570312 MB of memory in use. ENERGY: 3686200 3964.8390 20654.7360 14515.0728 265.7953 -203215.9721 2328.2425 0.0000 0.0000 52134.0242 -109353.2623 299.6150 -161487.2865 -108999.9285 299.8255 213.4381 236.2965 759055.4863 5.3393 5.2605 PRESSURE: 3686400 258.241 -251.922 -28.4406 -251.921 -30.5934 156.561 -28.4416 156.559 20.6629 GPRESSURE: 3686400 213.226 -93.5456 -24.3646 -148.497 102.126 117.37 25.8096 -61.6825 22.5409 PRESSAVG: 3686400 -51.4122 -60.9704 -0.667665 -60.9704 22.96 -17.4185 -0.667734 -17.4185 -1.39636 GPRESSAVG: 3686400 -51.2089 -59.1951 -1.34884 -61.1128 21.4376 -16.841 -1.54679 -18.3302 -0.422608 TIMING: 3686400 CPU: 11863.6, 0.00405507/step Wall: 11863.6, 0.00405507/step, 1.47965 hours remaining, 233.570312 MB of memory in use. ENERGY: 3686400 3986.7193 20423.8281 14496.8122 246.2848 -203321.1805 2609.2022 0.0000 0.0000 52211.9258 -109346.4082 300.0627 -161558.3339 -108982.7279 299.8398 82.7703 112.6312 761304.1546 -9.9495 -10.0646 PRESSURE: 3686600 244.603 -186.424 -96.0477 -186.424 80.7244 -73.8924 -96.0464 -73.8919 267.242 GPRESSURE: 3686600 309.256 -188.492 -125.679 -97.6994 76.9274 -88.8099 126.197 -106.711 281.424 PRESSAVG: 3686600 12.6291 -47.705 -16.2222 -47.705 14.324 -8.31581 -16.2222 -8.3158 2.55496 GPRESSAVG: 3686600 13.1507 -49.6872 -15.1624 -48.0171 15.5544 -9.03462 -15.5971 -9.06729 1.07723 TIMING: 3686600 CPU: 11864.4, 0.00406796/step Wall: 11864.4, 0.00406796/step, 1.48413 hours remaining, 233.570312 MB of memory in use. ENERGY: 3686600 3945.3383 20606.1455 14478.2647 250.8897 -203192.9865 2550.4441 0.0000 0.0000 51845.7722 -109516.1321 297.9584 -161361.9042 -109167.4941 299.4736 197.5229 222.5358 759361.4595 9.8360 9.9274 PRESSURE: 3686800 100.584 -267.531 -37.1671 -267.531 105.981 24.094 -37.1668 24.0925 68.9744 GPRESSURE: 3686800 99.9877 -341.307 -37.4423 -206.47 159.542 126.812 -71.456 88.6548 96.9245 PRESSAVG: 3686800 10.0498 -10.9527 16.3325 -10.9527 -25.4102 -12.94 16.3325 -12.94 -0.154575 GPRESSAVG: 3686800 9.64564 -11.9548 16.135 -8.20081 -26.1087 -12.6485 17.1565 -11.9273 0.476935 TIMING: 3686800 CPU: 11865.2, 0.00406701/step Wall: 11865.2, 0.00406701/step, 1.48356 hours remaining, 233.570312 MB of memory in use. ENERGY: 3686800 3901.3073 20497.7701 14518.6774 232.6497 -203271.9124 2474.7928 0.0000 0.0000 52030.0108 -109616.7042 299.0172 -161646.7150 -109257.5457 299.1225 91.8464 118.8181 760872.5805 -5.1717 -5.3287 PRESSURE: 3687000 -151.822 -0.642377 179.331 -0.64099 229.545 -165.126 179.332 -165.125 -38.0885 GPRESSURE: 3687000 -110.379 -82.6069 166.114 -106.077 215.197 -137.598 50.8941 -133.678 -8.36101 PRESSAVG: 3687000 44.7726 10.233 -14.3502 10.2329 -15.092 -11.8369 -14.3502 -11.8371 -2.86997 GPRESSAVG: 3687000 43.3222 10.6589 -14.7912 7.28238 -13.3151 -10.9267 -14.8477 -11.8851 -3.46411 TIMING: 3687000 CPU: 11866, 0.00407565/step Wall: 11866, 0.00407565/step, 1.48648 hours remaining, 233.570312 MB of memory in use. ENERGY: 3687000 3932.8860 20459.7815 14481.7357 247.4131 -202877.6026 2211.3586 0.0000 0.0000 51951.3550 -109593.0728 298.5652 -161544.4278 -109230.5895 298.7057 13.2117 32.1523 760107.3122 8.9369 8.8477 PRESSURE: 3687200 392.562 -91.4192 68.1308 -91.4192 -353.167 -122.588 68.1301 -122.588 -184.07 GPRESSURE: 3687200 303.102 36.3978 -11.526 -131.933 -209.759 -58.3443 9.48937 -106 -144.009 PRESSAVG: 3687200 -14.7471 -49.4313 -7.79982 -49.4313 17.3733 -56.3957 -7.7998 -56.3957 -10.797 GPRESSAVG: 3687200 -12.1398 -49.2615 -6.60391 -50.765 15.3911 -56.0546 -7.81856 -56.6519 -11.613 TIMING: 3687200 CPU: 11866.8, 0.00404223/step Wall: 11866.8, 0.00404223/step, 1.47407 hours remaining, 233.570312 MB of memory in use. ENERGY: 3687200 4006.5556 20433.5041 14447.5565 246.5316 -203027.4609 2503.8597 0.0000 0.0000 51947.2915 -109442.1618 298.5418 -161389.4533 -109075.3266 298.2012 -48.2250 -16.8888 760986.5996 -2.7236 -2.7872 PRESSURE: 3687400 -73.9593 -143.902 -72.0098 -143.902 355.918 71.6039 -72.0095 71.6041 7.78268 GPRESSURE: 3687400 13.9299 -11.8177 19.2046 -162.696 358.526 14.5564 29.9458 109.838 -10.9453 PRESSAVG: 3687400 6.10828 -31.4992 13.0778 -31.4992 21.7681 -31.6493 13.0779 -31.6493 18.1888 GPRESSAVG: 3687400 4.51577 -32.5076 13.5176 -29.36 22.2585 -32.7934 13.1358 -30.6586 19.6369 TIMING: 3687400 CPU: 11867.6, 0.00402985/step Wall: 11867.6, 0.00402985/step, 1.46933 hours remaining, 233.570312 MB of memory in use. ENERGY: 3687400 3974.1838 20573.1181 14379.5863 248.6604 -203487.9948 2862.2154 0.0000 0.0000 52160.7876 -109289.4432 299.7688 -161450.2308 -108926.3693 299.1218 96.5806 120.5037 760563.8816 15.3551 15.4704 PRESSURE: 3687600 -317.957 -62.1502 41.8381 -62.1513 208.373 -39.3368 41.8372 -39.337 -128.905 GPRESSURE: 3687600 -316.042 -228.119 1.17006 -184.458 217.414 19.8803 86.4357 -49.71 -73.4536 PRESSAVG: 3687600 -29.1234 -61.6461 0.975422 -61.6461 15.0741 -73.2518 0.975409 -73.2518 1.67646 GPRESSAVG: 3687600 -29.3479 -59.9436 0.686329 -62.9121 14.4218 -71.874 1.43058 -73.4199 2.35439 TIMING: 3687600 CPU: 11868.4, 0.00404975/step Wall: 11868.4, 0.00404975/step, 1.47636 hours remaining, 233.570312 MB of memory in use. ENERGY: 3687600 3938.3359 20409.3506 14491.2651 259.2627 -203408.2969 2483.0515 0.0000 0.0000 52314.3605 -109512.6708 300.6513 -161827.0313 -109151.5568 298.8835 -79.4964 -57.3603 761401.7141 -4.1243 -4.1906 PRESSURE: 3687800 -337.828 -53.5455 15.5703 -53.5451 -481.867 -12.8071 15.5715 -12.8062 -13.1459 GPRESSURE: 3687800 -355.734 -70.3294 -1.1324 -173.336 -355.13 -15.7302 -102.574 0.988565 -39.2697 PRESSAVG: 3687800 -25.6373 -53.2456 57.1633 -53.2455 21.3958 -23.2098 57.1633 -23.2098 -6.08173 GPRESSAVG: 3687800 -25.0108 -54.3469 54.5975 -51.9518 21.6774 -22.2438 58.8285 -25.0388 -6.79258 TIMING: 3687800 CPU: 11869.3, 0.00406605/step Wall: 11869.3, 0.00406605/step, 1.48207 hours remaining, 233.570312 MB of memory in use. ENERGY: 3687800 3969.2087 20623.9754 14510.8207 265.0931 -203313.3818 2500.3489 0.0000 0.0000 52123.8781 -109320.0569 299.5566 -161443.9350 -108970.9683 299.1890 -277.6138 -250.0443 762417.9107 -3.4411 -3.3753 PRESSURE: 3688000 29.41 117.981 104.326 117.981 -1.04617 78.5203 104.325 78.5207 350.063 GPRESSURE: 3688000 107.797 195.948 174.128 -14.7554 -11.0333 119.49 104.087 128.169 376.319 PRESSAVG: 3688000 -15.9582 -58.1282 19.9239 -58.1282 -1.31586 -26.8694 19.9239 -26.8694 3.37974 GPRESSAVG: 3688000 -15.971 -58.0807 21.8194 -60.5598 -1.98436 -28.7426 19.7882 -23.4961 3.44463 TIMING: 3688000 CPU: 11870.1, 0.00405202/step Wall: 11870.1, 0.00405202/step, 1.47674 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3688000 4058.8329 20402.3565 14544.3284 240.4996 -203797.9948 3235.9451 0.0000 0.0000 52094.5810 -109221.4514 299.3883 -161316.0324 -108866.8454 299.6534 126.1423 157.6941 762399.2675 -4.6314 -4.8369 PRESSURE: 3688200 57.6434 -43.5324 95.538 -43.5327 44.9336 116.807 95.5392 116.807 112.082 GPRESSURE: 3688200 58.6872 2.62111 36.7304 -106.597 129.759 86.1083 251.432 135.556 107.658 PRESSAVG: 3688200 -40.4799 -50.393 -82.066 -50.393 33.2554 -20.8491 -82.0661 -20.8492 16.7957 GPRESSAVG: 3688200 -40.8494 -50.5602 -83.2684 -49.5499 33.4926 -21.3687 -81.7944 -21.7933 16.2804 TIMING: 3688200 CPU: 11870.9, 0.00403804/step Wall: 11870.9, 0.00403804/step, 1.47142 hours remaining, 233.570312 MB of memory in use. ENERGY: 3688200 3952.3250 20402.1105 14524.0405 258.0352 -203413.5800 2770.4766 0.0000 0.0000 52060.9526 -109445.6395 299.1950 -161506.5922 -109081.4727 299.1565 71.5531 98.7014 762238.8806 3.1904 2.9746 LDB: ============= START OF LOAD BALANCING ============== 11883.4 LDB: ============== END OF LOAD BALANCING =============== 11883.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11883.4 LDB: ============= START OF LOAD BALANCING ============== 11883.8 LDB: Largest compute 7034 load 0.030066 is 15.6% of average load 0.193329 LDB: Average compute 0.004481 is 2.3% of average load 0.193329 LDB: TIME 11883.8 LOAD: AVG 0.193329 MAX 0.213355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.812 MB LDB: TIME 11883.8 LOAD: AVG 0.193329 MAX 0.213355 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: TIME 11883.8 LOAD: AVG 0.193329 MAX 0.213355 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: ============== END OF LOAD BALANCING =============== 11883.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11883.8 PRESSURE: 3688400 164.89 -114.743 -56.4082 -114.742 103.54 -39.2963 -56.4079 -39.2961 58.5567 GPRESSURE: 3688400 182.426 -108.393 -54.5416 -35.3122 53.8 6.86485 -29.8654 -17.3683 162.553 PRESSAVG: 3688400 -46.248 -55.6128 -63.5348 -55.6128 105.474 26.3256 -63.5348 26.3257 13.8705 GPRESSAVG: 3688400 -46.1467 -53.2869 -61.9745 -55.5762 104.328 26.7388 -65.1741 25.389 14.3179 TIMING: 3688400 CPU: 11871.7, 0.00408465/step Wall: 11871.7, 0.00408465/step, 1.48817 hours remaining, 234.402344 MB of memory in use. ENERGY: 3688400 4017.7979 20594.1921 14493.0303 245.8525 -203463.4103 2702.8789 0.0000 0.0000 52046.0995 -109363.5590 299.1096 -161409.6586 -109004.4993 299.4516 108.9958 132.9261 760498.3353 24.3656 24.1665 PRESSURE: 3688600 -221.474 116.152 88.8851 116.152 -42.5257 -59.8097 88.8855 -59.8104 -289.93 GPRESSURE: 3688600 -158.819 248.359 111.931 -91.681 -121.281 -83.044 19.8998 -38.0983 -203.179 PRESSAVG: 3688600 8.12224 -65.7071 -21.7692 -65.7071 5.99871 23.9305 -21.7692 23.9305 -0.117565 GPRESSAVG: 3688600 7.98916 -66.3884 -24.4053 -63.9352 6.02629 23.3149 -19.3299 23.2186 -0.198264 TIMING: 3688600 CPU: 11872.5, 0.00402769/step Wall: 11872.5, 0.00402769/step, 1.4672 hours remaining, 234.539062 MB of memory in use. ENERGY: 3688600 3927.8269 20526.1634 14435.9577 242.9768 -203176.7351 2487.9496 0.0000 0.0000 52179.7164 -109376.1444 299.8775 -161555.8608 -109003.5383 299.2613 -184.6431 -161.0928 762116.6093 4.6678 4.6057 PRESSURE: 3688800 292.349 -188.942 173.235 -188.942 289.71 233.641 173.235 233.641 307.784 GPRESSURE: 3688800 293.378 -231.063 212.604 -181.125 355.903 161.413 82.501 165.228 324.641 PRESSAVG: 3688800 -79.7796 -36.099 -28.5738 -36.0991 28.1325 -20.0473 -28.5738 -20.0472 -0.663707 GPRESSAVG: 3688800 -80.2574 -38.3913 -27.5863 -37.2142 28.6238 -20.1665 -28.9925 -18.6835 0.0680334 TIMING: 3688800 CPU: 11873.3, 0.00406172/step Wall: 11873.3, 0.00406172/step, 1.47937 hours remaining, 234.734375 MB of memory in use. ENERGY: 3688800 4005.0030 20295.1196 14503.7043 246.5401 -203580.5768 2937.9618 0.0000 0.0000 51932.6522 -109659.5957 298.4577 -161592.2480 -109300.7055 298.8241 296.6142 324.6405 761853.3849 -17.4369 -17.1885 PRESSURE: 3689000 -72.5979 94.3294 -95.8698 94.3299 -28.1983 194.017 -95.8697 194.018 -69.8744 GPRESSURE: 3689000 -3.10971 -36.4319 -213.522 200.201 -21.5216 231.527 55.4656 238.585 -52.8206 PRESSAVG: 3689000 -41.24 -59.7907 -68.3182 -59.7906 42.0824 54.7304 -68.3183 54.7304 11.2822 GPRESSAVG: 3689000 -41.0051 -58.1051 -69.5492 -59.8122 42.2487 55.3482 -68.4393 54.7645 10.7898 TIMING: 3689000 CPU: 11874.1, 0.00403427/step Wall: 11874.1, 0.00403427/step, 1.46915 hours remaining, 234.734375 MB of memory in use. ENERGY: 3689000 3965.3398 20473.3978 14398.8376 233.5466 -203689.7000 2851.0003 0.0000 0.0000 52047.3794 -109720.1985 299.1170 -161767.5779 -109347.1153 298.8288 -56.8902 -25.8173 761965.5916 4.0415 4.0111 PRESSURE: 3689200 75.9587 -260.459 -103.325 -260.459 5.57247 29.8845 -103.325 29.8829 -2.09367 GPRESSURE: 3689200 111.402 -164.078 -69.2397 -269.341 137.253 88.8757 -61.3324 38.1437 -67.6391 PRESSAVG: 3689200 -9.85371 -39.0161 -26.3869 -39.0161 -44.5112 39.3674 -26.387 39.3673 -16.3598 GPRESSAVG: 3689200 -9.91539 -37.9017 -25.1657 -38.9004 -45.0255 40.8981 -25.9661 37.2223 -15.3742 TIMING: 3689200 CPU: 11874.9, 0.0040831/step Wall: 11874.9, 0.0040831/step, 1.4867 hours remaining, 234.734375 MB of memory in use. ENERGY: 3689200 3970.1216 20411.0584 14388.6550 263.9672 -203177.5444 2457.5590 0.0000 0.0000 52008.7353 -109677.4478 298.8949 -161686.1830 -109316.2065 298.8527 26.4792 60.3385 761524.7617 -23.5749 -23.4383 PRESSURE: 3689400 -111.375 -42.7496 212.64 -42.7505 -133.162 93.0708 212.64 93.0723 170.041 GPRESSURE: 3689400 -63.8035 -106.021 126.871 -23.1853 -84.7562 36.6833 118.618 45.6938 150.716 PRESSAVG: 3689400 -5.93134 -39.7417 -27.7791 -39.7417 -14.5727 9.24014 -27.7791 9.24013 -4.44733 GPRESSAVG: 3689400 -5.47931 -42.0154 -26.9459 -39.3651 -13.4607 6.9668 -28.1807 13.3028 -6.4469 TIMING: 3689400 CPU: 11875.7, 0.00400534/step Wall: 11875.7, 0.00400534/step, 1.45817 hours remaining, 234.734375 MB of memory in use. ENERGY: 3689400 4037.3816 20530.9002 14436.1163 256.0214 -203605.1215 2736.5517 0.0000 0.0000 51749.2636 -109858.8866 297.4037 -161608.1503 -109497.5738 298.4594 -24.8322 0.7186 761179.2590 -8.3171 -8.4623 PRESSURE: 3689600 113.541 -331.812 -84.9342 -331.813 530.975 274.685 -84.9334 274.685 99.2261 GPRESSURE: 3689600 144.666 -293.601 -148.042 -247.293 487.227 162.614 -63.4515 375.309 206.921 PRESSAVG: 3689600 -1.19124 -51.0226 -6.82116 -51.0226 33.8893 8.0923 -6.82119 8.0924 5.67827 GPRESSAVG: 3689600 -1.31856 -49.461 -8.03103 -52.5591 34.5331 10.1858 -7.52307 6.81373 5.23069 TIMING: 3689600 CPU: 11876.5, 0.00404053/step Wall: 11876.5, 0.00404053/step, 1.47075 hours remaining, 234.734375 MB of memory in use. ENERGY: 3689600 3979.5840 20673.2978 14451.3523 240.2995 -204103.6510 3132.1427 0.0000 0.0000 51859.1559 -109767.8188 298.0353 -161626.9748 -109418.7901 298.3816 247.9142 279.6048 760795.9041 12.7921 12.8151 PRESSURE: 3689800 289.222 -110.624 -197.092 -110.624 210.032 -125.618 -197.092 -125.619 609.726 GPRESSURE: 3689800 215.083 -74.9385 -182.087 -123.956 366.199 -160.458 -186.238 -209.492 598.87 PRESSAVG: 3689800 -13.8203 -7.72562 30.3498 -7.72568 36.2212 72.4685 30.3499 72.4684 -8.65858 GPRESSAVG: 3689800 -13.1927 -8.50439 31.9653 -8.34698 34.1542 70.2991 29.01 70.4149 -6.9889 TIMING: 3689800 CPU: 11877.4, 0.00406644/step Wall: 11877.4, 0.00406644/step, 1.47996 hours remaining, 234.734375 MB of memory in use. ENERGY: 3689800 3942.7518 20412.9937 14499.0194 249.9838 -203724.6246 2562.8401 0.0000 0.0000 52097.4720 -109959.5638 299.4049 -162057.0358 -109595.7076 298.5052 369.6603 393.3839 762104.6561 4.5808 4.6575 PRESSURE: 3690000 -159.258 46.5656 -13.3445 46.5655 -545.011 -149.491 -13.3443 -149.492 -251.295 GPRESSURE: 3690000 -240.689 -52.7171 38.609 114.686 -491.033 -44.3749 -28.7931 29.5173 -158.056 PRESSAVG: 3690000 -11.9315 -2.61495 -47.2032 -2.61495 -22.626 0.241458 -47.2032 0.24142 -3.30913 GPRESSAVG: 3690000 -14.3034 -2.33585 -47.8816 -1.36291 -21.167 1.70005 -45.9877 2.92776 -2.42177 TIMING: 3690000 CPU: 11878.2, 0.00402965/step Wall: 11878.2, 0.00402965/step, 1.46634 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3690000 4000.8129 20677.4207 14492.3065 268.6291 -203312.2705 2402.3118 0.0000 0.0000 51668.0546 -109802.7347 296.9370 -161470.7893 -109455.4231 298.4474 -318.5215 -296.5927 761009.0392 -12.6222 -12.6307 PRESSURE: 3690200 -66.847 -36.3446 52.6042 -36.3451 32.6929 -140.35 52.6052 -140.35 162 GPRESSURE: 3690200 19.3674 38.3624 -16.1133 32.7013 6.95265 -138.112 -110.22 -174.696 188.685 PRESSAVG: 3690200 -18.0141 -67.8421 -34.9691 -67.8421 46.9283 -19.2287 -34.9691 -19.2287 19.0928 GPRESSAVG: 3690200 -15.6079 -68.4249 -35.2481 -66.6636 45.377 -19.8473 -35.0193 -20.2688 17.9794 TIMING: 3690200 CPU: 11879, 0.00401865/step Wall: 11879, 0.00401865/step, 1.46212 hours remaining, 234.734375 MB of memory in use. ENERGY: 3690200 4021.0101 20306.9029 14406.9142 249.7443 -203824.3932 2816.4379 0.0000 0.0000 51988.2694 -110035.1144 298.7773 -162023.3838 -109675.0348 297.7716 42.6151 71.6684 759895.1583 16.0023 15.9162 PRESSURE: 3690400 -72.2367 111.636 -9.14797 111.636 -140.631 156.986 -9.14894 156.986 266.741 GPRESSURE: 3690400 -99.9667 65.4526 -83.9934 104.371 -40.2351 139.972 -120.731 71.166 272.568 PRESSAVG: 3690400 -10.0057 -9.13367 -24.9597 -9.13363 -5.69064 7.64426 -24.9597 7.64427 3.49772 GPRESSAVG: 3690400 -9.73568 -7.40052 -26.4563 -10.796 -6.13564 6.95182 -25.1952 8.09254 3.43331 TIMING: 3690400 CPU: 11879.8, 0.00400182/step Wall: 11879.8, 0.00400182/step, 1.45577 hours remaining, 234.734375 MB of memory in use. ENERGY: 3690400 4044.1052 20398.3151 14373.5780 260.5756 -203831.7448 2783.3133 0.0000 0.0000 52000.5184 -109971.3391 298.8477 -161971.8575 -109612.1217 298.2843 17.9577 44.1222 760049.5057 -4.0662 -4.1460 PRESSURE: 3690600 57.6921 -256.145 94.2674 -256.145 113.722 292.708 94.2676 292.707 -16.5633 GPRESSURE: 3690600 124.38 -137.323 201.16 -248.854 128.499 282.059 102.148 260.974 -31.2216 PRESSAVG: 3690600 17.3913 -52.5637 46.364 -52.5636 1.62227 39.2638 46.3641 39.2638 -22.111 GPRESSAVG: 3690600 16.4161 -53.1111 47.8629 -52.2806 4.01811 39.2463 46.2543 39.8907 -23.2585 TIMING: 3690600 CPU: 11880.6, 0.00403376/step Wall: 11880.6, 0.00403376/step, 1.46717 hours remaining, 234.734375 MB of memory in use. ENERGY: 3690600 3973.7954 20541.5711 14417.3969 251.8030 -203577.6906 2577.4527 0.0000 0.0000 51725.5000 -110090.1717 297.2672 -161815.6716 -109734.8976 297.9073 51.6168 73.8859 759537.9100 -1.0325 -0.9414 PRESSURE: 3690800 42.6496 -65.6002 -40.9728 -65.6011 198.014 -216.286 -40.9724 -216.287 -36.6123 GPRESSURE: 3690800 169.934 -6.59631 -54.3706 -64.4291 214.891 -197.966 -27.51 -214.197 -91.8068 PRESSAVG: 3690800 -7.19609 -29.1116 12.9841 -29.1116 0.900227 21.9019 12.984 21.902 7.55202 GPRESSAVG: 3690800 -7.71679 -28.5017 13.819 -28.9458 0.290624 23.5005 13.3654 20.5938 7.99143 TIMING: 3690800 CPU: 11881.4, 0.00401971/step Wall: 11881.4, 0.00401971/step, 1.46184 hours remaining, 234.734375 MB of memory in use. ENERGY: 3690800 3976.8959 20414.7386 14415.8322 254.0057 -203605.7453 2700.6485 0.0000 0.0000 51781.7250 -110061.8995 297.5903 -161843.6245 -109698.5942 298.0232 68.0170 97.6729 760311.4407 0.4187 0.1884 PRESSURE: 3691000 0.455975 -255.339 -128.932 -255.338 103.352 -15.0058 -128.932 -15.0066 449.59 GPRESSURE: 3691000 18.8456 -262.317 -116.37 -324.025 156.032 51.0486 -120.286 -44.0565 434.053 PRESSAVG: 3691000 37.7944 -14.1276 30.4719 -14.1277 -47.0541 10.8868 30.4719 10.8868 -6.80211 GPRESSAVG: 3691000 37.8962 -15.6379 30.0834 -13.9642 -47.415 9.78668 32.5314 12.2495 -6.25095 TIMING: 3691000 CPU: 11882.2, 0.00401578/step Wall: 11882.2, 0.00401578/step, 1.46018 hours remaining, 234.734375 MB of memory in use. ENERGY: 3691000 4039.7853 20476.0015 14457.1605 255.6899 -203609.3323 2738.7045 0.0000 0.0000 51756.8537 -109885.1370 297.4473 -161641.9908 -109529.8653 298.1675 184.4658 202.9768 759873.8386 -5.3539 -5.2566 PRESSURE: 3691200 -408.426 91.6309 -47.1377 91.6305 -206.519 -78.1813 -47.1376 -78.1824 -204.208 GPRESSURE: 3691200 -362.556 46.4944 -88.9512 106.19 -141.341 -128.737 -56.1119 -111.57 -245.914 PRESSAVG: 3691200 -2.00687 -20.4726 -6.93582 -20.4725 -3.80093 -7.10897 -6.9359 -7.109 2.44145 GPRESSAVG: 3691200 -2.96971 -21.0994 -5.66651 -21.1234 -2.45299 -8.20655 -9.1906 -8.91569 2.21729 TIMING: 3691200 CPU: 11883, 0.00399005/step Wall: 11883, 0.00399005/step, 1.4506 hours remaining, 234.734375 MB of memory in use. ENERGY: 3691200 4068.0644 20532.8872 14509.1557 260.5824 -203143.2092 2474.5326 0.0000 0.0000 51550.6806 -109747.3063 296.2625 -161297.9869 -109385.3820 298.6364 -273.0506 -249.9371 761750.6475 -1.1221 -1.0685 PRESSURE: 3691400 269.793 -243.146 12.0186 -243.146 -52.6831 7.67239 12.0188 7.67255 -120.403 GPRESSURE: 3691400 251.482 -270.275 72.4891 -172.196 -51.7084 -26.9655 51.6781 -18.0824 -15.6505 PRESSAVG: 3691400 40.5886 -78.2941 -31.7658 -78.2941 -30.9187 -35.4741 -31.7658 -35.4742 4.43938 GPRESSAVG: 3691400 42.0867 -77.1391 -32.2532 -76.0882 -32.7489 -34.3182 -31.6921 -34.9975 4.82794 TIMING: 3691400 CPU: 11883.8, 0.00399761/step Wall: 11883.8, 0.00399761/step, 1.45313 hours remaining, 234.734375 MB of memory in use. ENERGY: 3691400 3952.6927 20452.8573 14427.2572 252.1291 -203803.7745 2954.3476 0.0000 0.0000 51900.9396 -109863.5510 298.2754 -161764.4906 -109500.9203 298.0666 32.2354 61.3745 761229.6082 4.7031 4.7219 PRESSURE: 3691600 -185.533 208.329 -106.472 208.33 -170.614 -268.135 -106.471 -268.136 19.4987 GPRESSURE: 3691600 -127.47 175.079 -82.5676 116.599 -134.706 -317.832 -65.0345 -216.444 34.8845 PRESSAVG: 3691600 51.2081 -29.8637 56.3124 -29.8637 -3.8687 22.1157 56.3124 22.1157 -10.6908 GPRESSAVG: 3691600 50.9689 -30.5181 55.7038 -30.1588 -2.49498 21.6542 55.2146 21.4178 -11.0798 TIMING: 3691600 CPU: 11884.6, 0.00402405/step Wall: 11884.6, 0.00402405/step, 1.46252 hours remaining, 234.734375 MB of memory in use. ENERGY: 3691600 3978.7270 20371.2106 14495.5546 235.8521 -203699.2401 2523.4249 0.0000 0.0000 52110.8334 -109983.6376 299.4817 -162094.4710 -109618.4210 298.5328 -112.2163 -75.7639 760272.5120 12.2162 12.4647 PRESSURE: 3691800 -67.7366 120.663 62.9167 120.663 -86.4525 180.429 62.9167 180.43 329.393 GPRESSURE: 3691800 0.338122 212.32 -34.5915 95.2323 -36.2435 87.6833 186.991 110.914 296.356 PRESSAVG: 3691800 44.2869 18.334 -10.7656 18.334 -15.3822 -5.21587 -10.7657 -5.21591 23.1591 GPRESSAVG: 3691800 43.7614 19.5706 -10.0687 17.2209 -15.3965 -6.92263 -8.17531 -4.09246 23.8151 TIMING: 3691800 CPU: 11885.4, 0.00400058/step Wall: 11885.4, 0.00400058/step, 1.45377 hours remaining, 234.734375 MB of memory in use. ENERGY: 3691800 3957.5418 20592.1080 14430.5725 239.9592 -203623.3897 2537.7941 0.0000 0.0000 51829.4838 -110035.9303 297.8648 -161865.4141 -109667.2363 298.2684 58.4014 86.8168 761566.5332 17.3546 17.3934 PRESSURE: 3692000 -75.5265 -102.599 -139.504 -102.6 8.23931 -140.91 -139.504 -140.91 7.53429 GPRESSURE: 3692000 30.0413 -67.2634 -192.592 -92.0544 -43.9319 -151.533 -4.05531 -81.5827 32.6708 PRESSAVG: 3692000 38.1222 35.6004 -24.9718 35.6004 -4.82862 11.1782 -24.9718 11.1782 -0.132783 GPRESSAVG: 3692000 37.7851 35.6828 -26.8154 35.6417 -4.60872 14.278 -24.2458 11.303 0.493226 TIMING: 3692000 CPU: 11886.2, 0.00401455/step Wall: 11886.2, 0.00401455/step, 1.45862 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3692000 3986.0286 20408.0689 14347.9343 244.6399 -203516.7483 2575.8161 0.0000 0.0000 52205.8693 -109748.3913 300.0278 -161954.2606 -109381.0817 298.5186 -19.9176 6.2601 761795.1262 11.0536 11.2232 PRESSURE: 3692200 -16.7086 53.9119 -18.3986 53.9122 -367.949 -63.1812 -18.3986 -63.1813 -299.006 GPRESSURE: 3692200 -9.20724 12.584 -38.317 84.2778 -322.521 61.3682 -8.12434 -197.944 -251.258 PRESSAVG: 3692200 -20.5064 -24.8711 -19.7286 -24.871 20.6645 26.8307 -19.7286 26.8308 9.70276 GPRESSAVG: 3692200 -19.5453 -26.6271 -18.3684 -24.9634 19.7882 27.1759 -20.3936 26.1458 9.06736 TIMING: 3692200 CPU: 11887, 0.00400635/step Wall: 11887, 0.00400635/step, 1.45542 hours remaining, 234.734375 MB of memory in use. ENERGY: 3692200 3983.0485 20522.3751 14428.5319 248.5279 -203400.1318 2471.6916 0.0000 0.0000 51990.4928 -109755.4640 298.7901 -161745.9568 -109403.7822 299.1075 -227.8878 -194.3288 761823.0648 3.2870 3.1034 LDB: ============= START OF LOAD BALANCING ============== 11899.5 LDB: ============== END OF LOAD BALANCING =============== 11899.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11899.5 LDB: ============= START OF LOAD BALANCING ============== 11899.9 LDB: Largest compute 7024 load 0.029912 is 15.5% of average load 0.193370 LDB: Average compute 0.004459 is 2.3% of average load 0.193370 LDB: TIME 11899.9 LOAD: AVG 0.19337 MAX 0.217406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.465 MB LDB: TIME 11899.9 LOAD: AVG 0.19337 MAX 0.217406 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: TIME 11899.9 LOAD: AVG 0.19337 MAX 0.214075 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: ============== END OF LOAD BALANCING =============== 11899.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11899.9 PRESSURE: 3692400 341.07 72.7936 10.3654 72.7937 -46.197 -67.0165 10.3658 -67.0161 56.1893 GPRESSURE: 3692400 387.194 150.173 12.0351 93.0049 -3.08804 -132.501 159.577 -119.765 40.3789 PRESSAVG: 3692400 -2.36214 -13.6953 39.5124 -13.6952 31.0748 -10.8246 39.5124 -10.8246 0.00643325 GPRESSAVG: 3692400 -0.783898 -12.2206 39.8661 -12.8381 28.9092 -13.1406 38.0302 -9.9567 0.426065 TIMING: 3692400 CPU: 11887.8, 0.00405239/step Wall: 11887.8, 0.00405239/step, 1.47192 hours remaining, 234.199219 MB of memory in use. ENERGY: 3692400 3986.5370 20360.6818 14470.0367 251.9270 -203559.4512 2584.6579 0.0000 0.0000 52211.4165 -109694.1943 300.0597 -161905.6109 -109324.7440 298.9026 117.0209 141.4951 760956.6905 9.5730 9.5171 PRESSURE: 3692600 82.9071 94.8087 276.621 94.8089 -77.1779 136.553 276.621 136.554 195.255 GPRESSURE: 3692600 135.61 2.9259 306.391 213.287 -5.00533 163.559 129.391 -6.52447 139.877 PRESSAVG: 3692600 -14.8455 13.7611 49.7864 13.7612 -9.75493 -73.95 49.7864 -73.95 -26.1575 GPRESSAVG: 3692600 -15.8749 14.4016 48.8272 10.7975 -7.27753 -73.2784 52.0697 -74.7909 -27.4971 TIMING: 3692600 CPU: 11888.6, 0.0039777/step Wall: 11888.6, 0.0039777/step, 1.44457 hours remaining, 234.199219 MB of memory in use. ENERGY: 3692600 3936.4260 20663.5889 14471.3644 236.0344 -203692.9860 2570.8500 0.0000 0.0000 51871.9609 -109942.7613 298.1089 -161814.7223 -109585.8962 298.6173 66.9949 90.1605 760572.9229 -16.9193 -16.8832 PRESSURE: 3692800 38.9343 79.1603 -162.523 79.1602 115.762 -246.324 -162.523 -246.325 116.143 GPRESSURE: 3692800 60.2263 -25.9295 -123.49 -34.2512 107.091 -263.254 -94.3436 -239.646 176.812 PRESSAVG: 3692800 -16.088 -70.4333 24.4028 -70.4333 37.2574 -25.5601 24.4028 -25.56 23.2475 GPRESSAVG: 3692800 -16.1629 -70.6807 23.7675 -70.4295 36.4825 -23.8407 20.6498 -26.9221 24.0718 TIMING: 3692800 CPU: 11889.4, 0.00403112/step Wall: 11889.4, 0.00403112/step, 1.46375 hours remaining, 234.324219 MB of memory in use. ENERGY: 3692800 4033.7667 20518.0599 14466.9975 242.4452 -203541.0311 2561.4566 0.0000 0.0000 51801.8593 -109916.4459 297.7060 -161718.3052 -109561.7511 298.4110 90.2798 114.7100 760883.8177 14.8057 14.7971 PRESSURE: 3693000 46.1877 -45.8078 47.1097 -45.8068 -71.7397 -125.498 47.1092 -125.497 -312.126 GPRESSURE: 3693000 19.7407 74.0431 12.2961 -108.033 -18.4874 -88.3263 140.426 -185.939 -239.461 PRESSAVG: 3693000 8.89014 5.74737 25.1714 5.74733 -14.6773 -43.8018 25.1713 -43.8019 5.44561 GPRESSAVG: 3693000 7.28846 4.96983 26.7112 9.46801 -14.2576 -45.8894 28.1573 -42.2767 6.3468 TIMING: 3693000 CPU: 11890.2, 0.00400013/step Wall: 11890.2, 0.00400013/step, 1.45227 hours remaining, 234.460938 MB of memory in use. ENERGY: 3693000 4021.1373 20552.9190 14471.1038 251.7684 -203815.0812 2544.7662 0.0000 0.0000 52062.5391 -109910.8474 299.2041 -161973.3864 -109544.6415 298.7418 -112.5593 -79.4025 759467.6626 -0.1139 -0.2074 PRESSURE: 3693200 -166.675 -315.324 86.3833 -315.324 -77.6419 108.387 86.3843 108.388 -189.329 GPRESSURE: 3693200 -183.989 -342.021 80.6585 -289.162 -33.5012 150.567 -3.22827 156 -128.584 PRESSAVG: 3693200 -11.7847 -9.79559 21.1571 -9.79563 17.2811 26.9306 21.1571 26.9306 6.39435 GPRESSAVG: 3693200 -10.8194 -10.7521 20.4303 -11.5408 17.1759 27.6282 20.7706 27.3022 5.74565 TIMING: 3693200 CPU: 11891, 0.00400232/step Wall: 11891, 0.00400232/step, 1.45284 hours remaining, 234.460938 MB of memory in use. ENERGY: 3693200 3973.3205 20751.9002 14468.2067 249.2927 -203664.8134 2393.3343 0.0000 0.0000 51901.8248 -109926.9342 298.2805 -161828.7590 -109572.2665 298.2686 -144.5486 -115.3583 759492.0132 3.9636 4.0340 PRESSURE: 3693400 -73.5496 -31.1617 77.7306 -31.1617 -326.128 169.378 77.7305 169.378 -21.053 GPRESSURE: 3693400 -68.2526 -45.0169 77.0247 18.0617 -309.294 90.4036 153.343 188.232 63.5712 PRESSAVG: 3693400 -23.5724 -39.7856 27.0502 -39.7856 -8.65489 35.3579 27.0502 35.3579 3.07242 GPRESSAVG: 3693400 -24.0868 -39.9475 26.4412 -39.4692 -8.49307 34.9522 27.146 34.526 3.15509 TIMING: 3693400 CPU: 11891.8, 0.00401189/step Wall: 11891.8, 0.00401189/step, 1.45609 hours remaining, 234.531250 MB of memory in use. ENERGY: 3693400 4011.7041 20495.8573 14444.6470 237.7038 -203547.1227 2470.2182 0.0000 0.0000 51984.4713 -109902.5211 298.7555 -161886.9924 -109551.4981 298.7342 -140.2436 -104.6586 760988.7214 -9.7183 -9.8083 PRESSURE: 3693600 325.407 106.412 -74.8336 106.412 37.013 -350.719 -74.8331 -350.719 74.3784 GPRESSURE: 3693600 299.699 23.8671 -72.2359 107.788 125.959 -328.448 -45.7915 -400.107 106.461 PRESSAVG: 3693600 47.3135 -51.4796 -22.6218 -51.4796 -25.8123 -1.09446 -22.6218 -1.09441 -5.31287 GPRESSAVG: 3693600 46.9502 -51.0545 -21.4844 -50.8868 -25.7545 0.605894 -22.3046 -1.76692 -4.678 TIMING: 3693600 CPU: 11892.6, 0.00400884/step Wall: 11892.6, 0.00400884/step, 1.45476 hours remaining, 234.531250 MB of memory in use. ENERGY: 3693600 4010.5649 20444.4263 14488.1837 219.3847 -204057.1617 2896.5823 0.0000 0.0000 51907.5407 -110090.4791 298.3133 -161998.0198 -109734.2317 297.9795 145.5994 177.3732 760031.9523 5.3961 5.5059 PRESSURE: 3693800 -140.799 174.312 -320.435 174.312 122.667 -43.7217 -320.434 -43.7209 2.35257 GPRESSURE: 3693800 -64.5739 155.247 -229.745 86.5773 235.486 -45.7088 -276.249 -55.8589 -90.738 PRESSAVG: 3693800 39.6767 -15.4259 -27.8155 -15.4259 5.74507 12.779 -27.8155 12.779 11.302 GPRESSAVG: 3693800 40.609 -15.4294 -28.6289 -16.8882 4.3818 12.1752 -27.7155 14.2213 10.9332 TIMING: 3693800 CPU: 11893.4, 0.00399519/step Wall: 11893.4, 0.00399519/step, 1.44959 hours remaining, 234.531250 MB of memory in use. ENERGY: 3693800 3978.8637 20548.5266 14395.8120 263.3227 -203749.8934 2614.0330 0.0000 0.0000 51837.1509 -110112.1844 297.9088 -161949.3353 -109761.6378 298.4985 -5.2598 26.7248 760895.9841 18.9079 18.6413 PRESSURE: 3694000 -64.1259 132.612 291.571 132.613 -400.716 216.138 291.571 216.138 280.934 GPRESSURE: 3694000 -78.3096 152.917 321.099 160.166 -225.193 303.102 140.116 233.821 209.984 PRESSAVG: 3694000 -10.7039 15.9367 -50.2427 15.9366 -14.0521 24.8769 -50.2427 24.877 -0.0949136 GPRESSAVG: 3694000 -13.0117 18.2908 -50.56 15.4786 -11.6426 23.3178 -51.0587 26.4653 -0.216478 TIMING: 3694000 CPU: 11894.2, 0.00400257/step Wall: 11894.2, 0.00400257/step, 1.45205 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 4002.4452 20364.0827 14435.6105 249.4734 -203933.7876 2800.7049 0.0000 0.0000 51891.6561 -110189.8149 298.2221 -162081.4710 -109826.1645 298.0535 -61.3029 -31.1730 761100.8022 -8.2837 -8.2902 PRESSURE: 3694200 183.704 14.8447 -252.328 14.8447 -131.83 278.653 -252.327 278.654 403.225 GPRESSURE: 3694200 199.312 34.3039 -200.386 -2.23206 -82.4674 228.175 -172.623 214.146 416.798 PRESSAVG: 3694200 55.3124 -5.54088 23.396 -5.54084 1.48378 24.8519 23.396 24.852 40.3613 GPRESSAVG: 3694200 56.3066 -6.77637 23.9968 -3.75292 -0.674855 24.6169 23.5219 24.3025 41.7793 TIMING: 3694200 CPU: 11895, 0.00404023/step Wall: 11895, 0.00404023/step, 1.46548 hours remaining, 234.531250 MB of memory in use. ENERGY: 3694200 3945.1235 20484.0966 14494.3408 259.4007 -203888.0671 2781.8029 0.0000 0.0000 51844.7032 -110078.5994 297.9522 -161923.3026 -109715.4258 297.8661 151.6995 177.8808 760581.8874 32.3858 32.4703 PRESSURE: 3694400 -101.706 112.058 230.776 112.059 -207.799 -161.214 230.776 -161.214 280.462 GPRESSURE: 3694400 -39.8138 66.8546 187.055 10.4409 -147.633 -151.606 222.563 -130.976 232.732 PRESSAVG: 3694400 -48.3689 -52.2521 -26.5766 -52.2522 22.0224 -2.10935 -26.5766 -2.10928 -11.1553 GPRESSAVG: 3694400 -48.3263 -52.482 -26.2307 -53.6403 23.6138 -0.229699 -26.041 -2.50977 -13.0804 TIMING: 3694400 CPU: 11895.8, 0.00401036/step Wall: 11895.8, 0.00401036/step, 1.45442 hours remaining, 234.531250 MB of memory in use. ENERGY: 3694400 4071.6783 20600.4531 14370.1478 238.8287 -203704.1477 2564.2482 0.0000 0.0000 51958.7123 -109900.0793 298.6074 -161858.7917 -109534.3367 298.2984 -9.6813 15.0948 759307.9728 -12.5006 -12.5976 PRESSURE: 3694600 -66.5697 -53.5424 29.4727 -53.5416 100.472 -325.175 29.4725 -325.175 -611.449 GPRESSURE: 3694600 -48.3497 -100.1 32.6667 -81.2893 93.5086 -267.288 43.4602 -243.661 -564.805 PRESSAVG: 3694600 11.0104 -76.1703 15.1267 -76.1703 19.4573 36.6734 15.1267 36.6734 23.4016 GPRESSAVG: 3694600 12.5146 -77.4887 16.6178 -76.9173 18.3252 36.9972 14.5505 35.8139 23.6948 TIMING: 3694600 CPU: 11896.6, 0.00402142/step Wall: 11896.6, 0.00402142/step, 1.45821 hours remaining, 234.531250 MB of memory in use. ENERGY: 3694600 3992.0012 20311.0814 14558.9636 259.3422 -203108.1285 2375.2183 0.0000 0.0000 51670.1982 -109941.3236 296.9493 -161611.5218 -109577.2213 298.2352 -192.5159 -173.2154 758808.6650 17.9564 18.1782 PRESSURE: 3694800 393.535 -105.547 37.5428 -105.548 -20.3481 51.4769 37.5425 51.4772 42.7407 GPRESSURE: 3694800 370.094 -186.152 -8.15685 -120.563 43.5291 153.258 56.6789 -107 102.681 PRESSAVG: 3694800 -22.0404 -2.70838 27.0907 -2.70839 13.0804 -22.6627 27.0907 -22.6627 12.7051 GPRESSAVG: 3694800 -21.8369 -1.10142 23.5378 -2.5055 12.3766 -22.4716 26.6208 -23.673 13.404 TIMING: 3694800 CPU: 11897.4, 0.00402372/step Wall: 11897.4, 0.00402372/step, 1.45882 hours remaining, 234.531250 MB of memory in use. ENERGY: 3694800 4035.1078 20513.5908 14436.4544 242.6290 -203614.0578 2711.6125 0.0000 0.0000 51850.1733 -109824.4899 297.9837 -161674.6632 -109469.8151 298.0762 138.6426 172.1015 756736.1742 1.2484 1.3145 PRESSURE: 3695000 -250.608 -33.8107 21.4256 -33.8113 -624.497 -4.36713 21.426 -4.36723 174.476 GPRESSURE: 3695000 -295.187 -24.7772 50.0368 -130.979 -544.188 112.502 -27.3111 -98.3635 214.523 PRESSAVG: 3695000 14.56 -7.58903 -21.3776 -7.58908 -2.84148 -5.01041 -21.3775 -5.01051 -5.61117 GPRESSAVG: 3695000 13.871 -9.07716 -21.0999 -8.17008 -2.32968 -5.4286 -19.3567 -6.16437 -5.84843 TIMING: 3695000 CPU: 11898.2, 0.00402124/step Wall: 11898.2, 0.00402124/step, 1.4577 hours remaining, 234.531250 MB of memory in use. ENERGY: 3695000 3984.7082 20439.2752 14502.2734 259.1083 -203060.6165 2390.2311 0.0000 0.0000 51734.2554 -109750.7649 297.3175 -161485.0203 -109395.6545 298.4010 -233.5429 -208.2838 760995.5011 2.0358 1.8976 PRESSURE: 3695200 -146.36 53.3331 111.001 53.3331 -197.78 67.5172 111 67.5171 -69.3131 GPRESSURE: 3695200 -114.725 86.9446 86.5647 -38.7488 -154.498 47.7898 149.076 -1.22526 -65.6414 PRESSAVG: 3695200 -36.3819 -0.912598 -3.91486 -0.912573 41.0509 -15.6204 -3.91487 -15.6204 14.4338 GPRESSAVG: 3695200 -35.9264 -0.36747 -3.1286 -1.01898 39.7853 -17.1074 -5.1459 -13.2469 14.1013 TIMING: 3695200 CPU: 11899, 0.00402478/step Wall: 11899, 0.00402478/step, 1.45876 hours remaining, 234.531250 MB of memory in use. ENERGY: 3695200 4009.7597 20597.0554 14475.1145 250.0584 -203379.3621 2393.8224 0.0000 0.0000 51902.6328 -109750.9191 298.2851 -161653.5519 -109396.5378 298.3904 -137.8176 -111.6216 761099.1635 6.3676 5.9867 PRESSURE: 3695400 -53.6622 -65.6776 163.741 -65.6779 61.6718 -126.1 163.741 -126.1 165.751 GPRESSURE: 3695400 27.2392 -46.4867 173.89 -128.658 -5.9015 -72.3504 254.122 -196.465 218.638 PRESSAVG: 3695400 -18.9408 -18.9164 -10.3918 -18.9164 45.621 -12.5007 -10.3917 -12.5006 -0.708264 GPRESSAVG: 3695400 -20.5268 -18.5564 -10.3103 -18.6738 47.3755 -11.0935 -8.98562 -13.4075 -0.448664 TIMING: 3695400 CPU: 11899.8, 0.0039775/step Wall: 11899.8, 0.0039775/step, 1.4414 hours remaining, 234.531250 MB of memory in use. ENERGY: 3695400 4022.8139 20436.2856 14452.5859 246.1965 -203349.9942 2618.6005 0.0000 0.0000 52109.3510 -109464.1609 299.4732 -161573.5118 -109105.6941 298.9212 57.9202 79.9920 760941.4340 8.6573 8.8000 PRESSURE: 3695600 -233.837 -150.624 111.042 -150.623 -306.516 -68.9769 111.042 -68.9782 191.018 GPRESSURE: 3695600 -199.9 -49.6611 153.907 -182.923 -344.693 -31.0868 45.4434 -85.3717 288.588 PRESSAVG: 3695600 22.984 7.22474 19.625 7.22477 -28.7927 14.7687 19.6251 14.7688 -11.6651 GPRESSAVG: 3695600 23.8513 7.18908 19.5264 7.23927 -29.2532 15.3176 16.8395 14.4471 -11.8693 TIMING: 3695600 CPU: 11900.6, 0.0040111/step Wall: 11900.6, 0.0040111/step, 1.45335 hours remaining, 234.531250 MB of memory in use. ENERGY: 3695600 4001.1804 20552.2766 14429.9986 251.5143 -202928.8013 2331.5060 0.0000 0.0000 52064.5169 -109297.8086 299.2155 -161362.3254 -108945.9474 299.3599 -116.4448 -85.3349 762038.3281 -5.8246 -5.7571 PRESSURE: 3695800 578.399 -216.985 68.1953 -216.985 64.0293 266.861 68.1961 266.86 320.833 GPRESSURE: 3695800 552.47 -71.0114 62.1237 -139.267 132.663 272.833 151.967 306.604 364.963 PRESSAVG: 3695800 -9.24749 0.540179 38.8461 0.540194 14.4381 -23.0069 38.8461 -23.0069 -6.83588 GPRESSAVG: 3695800 -8.14991 3.31502 40.0219 0.072947 12.4707 -22.5036 41.4267 -24.3475 -6.27792 TIMING: 3695800 CPU: 11901.4, 0.0040232/step Wall: 11901.4, 0.0040232/step, 1.45752 hours remaining, 234.601562 MB of memory in use. ENERGY: 3695800 3980.5874 20716.0295 14451.9259 251.0077 -203551.1026 2678.3503 0.0000 0.0000 52170.0365 -109303.1654 299.8219 -161473.2018 -108939.4627 299.9000 321.0872 350.0322 761549.1814 -0.5484 -0.6524 PRESSURE: 3696000 -136.075 -201.549 -118.634 -201.549 -413.311 5.45458 -118.634 5.45442 -187.273 GPRESSURE: 3696000 -198.667 -127.965 -81.4066 -231.72 -333.398 -41.4592 -155.845 105.466 -110.633 PRESSAVG: 3696000 -23.408 7.03117 28.6614 7.03116 6.72708 3.6573 28.6615 3.65734 16.5086 GPRESSAVG: 3696000 -24.9552 4.05224 29.1608 7.9806 9.10123 0.939227 26.2345 6.82698 15.8049 TIMING: 3696000 CPU: 11902.2, 0.00402121/step Wall: 11902.2, 0.00402121/step, 1.45657 hours remaining, 234.601562 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: 3696000 4080.8405 20493.1558 14491.8587 251.8433 -202949.6410 2260.3892 0.0000 0.0000 52156.1431 -109215.4104 299.7421 -161371.5535 -108850.0231 300.2831 -245.5527 -214.2323 760776.2129 -0.0575 -0.0164 PRESSURE: 3696200 2.31343 32.254 -83.7818 32.2537 -21.9687 170.425 -83.782 170.425 71.0301 GPRESSURE: 3696200 21.5471 -71.0893 -37.1882 -21.0057 -24.2851 145.399 -53.9959 154.018 118.856 PRESSAVG: 3696200 -5.82917 14.9306 -4.16535 14.9307 13.5237 15.3702 -4.16531 15.3701 23.2419 GPRESSAVG: 3696200 -5.29732 13.8424 -4.56909 16.5244 11.2237 17.8474 -2.29659 12.7306 24.0571 TIMING: 3696200 CPU: 11903, 0.00401039/step Wall: 11903, 0.00401039/step, 1.45243 hours remaining, 234.601562 MB of memory in use. ENERGY: 3696200 3937.7060 20572.7579 14571.4077 255.3110 -203541.7670 2728.6465 0.0000 0.0000 52151.7171 -109324.2209 299.7166 -161475.9379 -108965.9975 299.8422 17.1250 38.7059 759635.5041 10.3121 9.9945 LDB: ============= START OF LOAD BALANCING ============== 11915.5 LDB: ============== END OF LOAD BALANCING =============== 11915.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11915.5 LDB: ============= START OF LOAD BALANCING ============== 11916 LDB: Largest compute 7064 load 0.029056 is 15.0% of average load 0.193389 LDB: Average compute 0.004435 is 2.3% of average load 0.193389 LDB: TIME 11916 LOAD: AVG 0.193389 MAX 0.212074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.656 MB LDB: TIME 11916 LOAD: AVG 0.193389 MAX 0.212074 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: TIME 11916 LOAD: AVG 0.193389 MAX 0.212074 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.656 MB LDB: ============== END OF LOAD BALANCING =============== 11916 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11916 PRESSURE: 3696400 -145.248 -19.5398 54.4929 -19.5405 -92.043 -268.636 54.4923 -268.636 108.771 GPRESSURE: 3696400 -164.303 -6.20745 208.713 12.8199 -70.851 -385.68 -40.8207 -109.97 195.308 PRESSAVG: 3696400 -22.6047 -27.1165 35.9938 -27.1165 12.8595 -55.1052 35.9937 -55.1051 9.03298 GPRESSAVG: 3696400 -23.568 -24.9474 33.7416 -28.0397 14.1792 -57.8149 38.7242 -52.2754 8.58086 TIMING: 3696400 CPU: 11903.9, 0.00410418/step Wall: 11903.9, 0.00410418/step, 1.48617 hours remaining, 232.917969 MB of memory in use. ENERGY: 3696400 3949.6449 20701.6112 14431.0089 254.7852 -203725.6255 2733.3103 0.0000 0.0000 52508.2139 -109147.0510 301.7654 -161655.2649 -108778.8110 300.2949 -42.8403 -13.2821 759654.2476 -0.2374 -0.2693 PRESSURE: 3696600 -150.644 297.586 82.9488 297.587 -431.749 -191.687 82.9486 -191.687 42.3584 GPRESSURE: 3696600 -160.386 189.114 74.2744 288.859 -287.377 -172.664 0.792495 -177.04 10.1043 PRESSAVG: 3696600 -3.84234 -55.4812 -25.838 -55.4811 4.89204 -11.9039 -25.838 -11.904 -3.24289 GPRESSAVG: 3696600 -3.95634 -56.7883 -23.3322 -56.0706 5.25283 -10.4976 -31.6714 -13.1726 -3.35966 TIMING: 3696600 CPU: 11904.7, 0.004043/step Wall: 11904.7, 0.004043/step, 1.46379 hours remaining, 232.917969 MB of memory in use. ENERGY: 3696600 3971.9475 20690.7841 14423.6371 260.7879 -203132.5166 2261.7369 0.0000 0.0000 52167.9159 -109355.7071 299.8097 -161523.6231 -108991.3310 300.5835 -180.0116 -145.8862 760761.2153 -0.7311 -0.6877 PRESSURE: 3696800 -147.165 33.1936 200.299 33.1945 27.7054 61.8073 200.299 61.8072 19.5688 GPRESSURE: 3696800 -97.7269 2.21134 279.378 15.1553 55.8684 88.7265 263.318 145.939 21.5827 PRESSAVG: 3696800 50.8902 -59.5585 49.1416 -59.5584 -15.0654 24.1513 49.1415 24.1513 -2.39074 GPRESSAVG: 3696800 51.1588 -59.3132 48.1503 -59.2999 -15.612 25.5178 52.4891 23.2479 -1.98906 TIMING: 3696800 CPU: 11905.5, 0.00403539/step Wall: 11905.5, 0.00403539/step, 1.46081 hours remaining, 232.917969 MB of memory in use. ENERGY: 3696800 4031.5986 20580.7395 14429.9727 240.5653 -203380.1747 2471.3285 0.0000 0.0000 52172.0637 -109453.9063 299.8336 -161625.9700 -109091.9781 300.0378 -33.2969 -6.7586 760167.2150 11.1447 11.1859 PRESSURE: 3697000 122.752 124.62 -106.924 124.62 216.697 45.4516 -106.924 45.4518 -321.346 GPRESSURE: 3697000 183.632 169.455 8.87442 40.0166 143.793 60.1336 -29.4323 112.404 -236.802 PRESSAVG: 3697000 43.133 -3.97136 59.617 -3.97129 18.5369 -1.04172 59.617 -1.04167 10.9437 GPRESSAVG: 3697000 42.1388 -2.09553 59.6202 -4.34347 19.6874 -3.12871 60.0759 -2.35624 10.6134 TIMING: 3697000 CPU: 11906.3, 0.00402327/step Wall: 11906.3, 0.00402327/step, 1.4562 hours remaining, 232.917969 MB of memory in use. ENERGY: 3697000 4011.8071 20390.2802 14497.2001 238.1104 -203914.2908 2759.2773 0.0000 0.0000 52253.3565 -109764.2591 300.3008 -162017.6156 -109392.3337 299.5913 6.0341 30.2078 759447.6951 24.2046 24.1465 PRESSURE: 3697200 -440.021 24.5418 258.992 24.5414 17.1145 -55.2885 258.992 -55.2888 -358.613 GPRESSURE: 3697200 -376.549 96.5088 185.95 -16.4156 -51.5996 -36.0812 154.909 -41.2238 -278.781 PRESSAVG: 3697200 -26.7238 20.1563 16.784 20.1562 17.8861 33.0088 16.7841 33.0088 -21.849 GPRESSAVG: 3697200 -25.7164 19.4264 16.8672 19.497 16.148 34.2862 15.9246 34.3647 -20.8194 TIMING: 3697200 CPU: 11907.1, 0.00400862/step Wall: 11907.1, 0.00400862/step, 1.45067 hours remaining, 232.917969 MB of memory in use. ENERGY: 3697200 4030.8818 20473.1096 14429.2033 242.3075 -202953.6176 2250.7148 0.0000 0.0000 52044.1305 -109483.2702 299.0983 -161527.4007 -109128.8164 299.1440 -260.5065 -235.6432 761004.5557 -10.2289 -10.1293 PRESSURE: 3697400 -98.9577 64.8319 66.0934 64.8308 -94.6427 -163.23 66.0936 -163.23 55.7911 GPRESSURE: 3697400 -73.5187 49.8858 50.9505 177.298 -46.8775 -85.7475 21.737 -41.6881 67.6791 PRESSAVG: 3697400 27.3653 16.8098 -7.55002 16.8098 -17.952 -37.6775 -7.55002 -37.6775 -0.960953 GPRESSAVG: 3697400 26.7668 15.2244 -6.52834 18.8497 -18.3066 -36.3988 -10.563 -35.2192 -0.300196 TIMING: 3697400 CPU: 11907.9, 0.00399699/step Wall: 11907.9, 0.00399699/step, 1.44624 hours remaining, 232.917969 MB of memory in use. ENERGY: 3697400 3990.7546 20674.3770 14444.8124 257.9228 -203482.9385 2642.0515 0.0000 0.0000 51913.7136 -109559.3066 298.3488 -161473.0202 -109200.7979 299.2754 -45.9364 -17.5723 760933.5209 2.8174 2.7200 PRESSURE: 3697600 187.828 99.4763 73.8133 99.4767 77.5734 148.689 73.8137 148.689 -56.482 GPRESSURE: 3697600 214.641 33.6094 -4.1412 -50.7042 127.96 113.363 16.5223 35.2691 -39.3895 PRESSAVG: 3697600 -16.0704 13.2708 -1.76357 13.2708 48.2921 47.4228 -1.7636 47.4228 17.5253 GPRESSAVG: 3697600 -15.6701 12.2437 -1.54446 13.6347 48.4134 46.6879 0.499063 45.5057 16.9247 TIMING: 3697600 CPU: 11908.7, 0.00400944/step Wall: 11908.7, 0.00400944/step, 1.45052 hours remaining, 232.917969 MB of memory in use. ENERGY: 3697600 3968.4113 20386.0198 14486.9100 251.9329 -203439.2360 2542.9964 0.0000 0.0000 52287.0319 -109515.9338 300.4943 -161802.9657 -109152.9322 299.6391 69.6397 101.0706 760565.7810 16.5824 16.5560 PRESSURE: 3697800 -234.821 155.728 336.367 155.728 -146.791 174.313 336.367 174.313 -239.627 GPRESSURE: 3697800 -231.135 181.899 211.343 86.1999 -133.391 231.302 265.797 105.589 -180.615 PRESSAVG: 3697800 -37.2765 20.1638 10.0978 20.1638 41.8511 59.0027 10.0978 59.0028 -10.0861 GPRESSAVG: 3697800 -36.3607 22.3816 9.64652 17.3395 42.2016 58.3832 9.79708 57.7786 -11.1059 TIMING: 3697800 CPU: 11909.5, 0.00402525/step Wall: 11909.5, 0.00402525/step, 1.45602 hours remaining, 232.917969 MB of memory in use. ENERGY: 3697800 4039.4465 20532.4275 14511.4830 260.3901 -203470.8863 2595.0636 0.0000 0.0000 52140.5974 -109391.4782 299.6527 -161532.0756 -109029.6617 299.2219 -207.0796 -181.7138 761441.6734 -1.8372 -1.7550 PRESSURE: 3698000 67.5557 -32.9579 -201.292 -32.958 -91.0815 -32.5344 -201.293 -32.5354 52.4043 GPRESSURE: 3698000 122.511 30.4498 -190.519 41.6521 -117.148 0.180566 -261.674 -57.4922 105.127 PRESSAVG: 3698000 -25.44 32.8558 18.9212 32.8558 12.9314 80.179 18.9211 80.179 11.9386 GPRESSAVG: 3698000 -25.7412 32.7957 19.4435 35.0686 12.8002 79.4881 18.7571 80.0804 12.6115 TIMING: 3698000 CPU: 11910.3, 0.00403892/step Wall: 11910.3, 0.00403892/step, 1.46074 hours remaining, 232.917969 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: 3698000 4096.7473 20589.8199 14452.9850 258.5218 -203404.8328 2734.8106 0.0000 0.0000 52190.6592 -109081.2889 299.9404 -161271.9481 -108724.8344 300.0147 9.6262 36.8298 762998.6611 -0.1900 -0.1098 PRESSURE: 3698200 61.492 -103.679 206.927 -103.679 -89.8172 155.059 206.927 155.06 96.0045 GPRESSURE: 3698200 67.3936 -82.035 236.079 -51.7092 -6.61448 120.694 172.429 132.7 85.9178 PRESSAVG: 3698200 -8.48045 40.416 45.8184 40.416 -6.00128 69.2262 45.8185 69.2261 -16.8809 GPRESSAVG: 3698200 -7.54089 40.4888 46.8952 40.3968 -5.73215 69.8909 45.9419 70.8201 -18.2705 TIMING: 3698200 CPU: 11911.1, 0.0040537/step Wall: 11911.1, 0.0040537/step, 1.46586 hours remaining, 232.917969 MB of memory in use. ENERGY: 3698200 3964.7905 20531.3846 14523.1714 240.5757 -203518.2890 2673.4077 0.0000 0.0000 52387.8701 -109197.0890 301.0738 -161584.9591 -108834.7227 300.1735 22.5598 48.8990 761363.0762 -10.4542 -10.5145 PRESSURE: 3698400 31.6459 141.501 122.305 141.502 185.212 -40.0094 122.305 -40.0103 444.954 GPRESSURE: 3698400 113.619 116.507 57.0284 137.288 209.513 -17.8942 63.6017 59.2463 401.548 PRESSAVG: 3698400 42.8139 -1.07869 22.8698 -1.07868 -14.5269 8.22884 22.8697 8.22881 -2.69899 GPRESSAVG: 3698400 42.2629 -2.00328 20.6274 -0.378675 -14.6786 7.39242 22.5206 9.68121 -1.86489 TIMING: 3698400 CPU: 11911.9, 0.00403862/step Wall: 11911.9, 0.00403862/step, 1.46018 hours remaining, 232.917969 MB of memory in use. ENERGY: 3698400 3953.7153 20532.4662 14460.8679 256.0235 -203302.8983 2344.3165 0.0000 0.0000 52503.7898 -109251.7192 301.7400 -161755.5090 -108891.1191 300.0878 220.6040 241.5603 760328.5428 8.5293 8.5731 PRESSURE: 3698600 -438.586 -63.9147 108.636 -63.9147 -16.4036 -1.81786 108.636 -1.81833 -77.1842 GPRESSURE: 3698600 -387.586 -134.065 106.125 -128.431 78.5413 -17.2058 -19.9788 -28.8761 -100.113 PRESSAVG: 3698600 46.4869 -6.13619 7.18143 -6.13619 -25.5988 -4.90692 7.18142 -4.90693 -12.3217 GPRESSAVG: 3698600 45.7307 -3.76486 7.71736 -8.46483 -24.442 -4.28893 8.88563 -5.84743 -12.1226 TIMING: 3698600 CPU: 11912.7, 0.00404152/step Wall: 11912.7, 0.00404152/step, 1.46101 hours remaining, 232.917969 MB of memory in use. ENERGY: 3698600 4022.1421 20554.3430 14420.2852 248.1644 -203339.0705 2543.9908 0.0000 0.0000 52379.7222 -109170.4227 301.0270 -161550.1449 -108811.8114 300.5042 -177.3912 -136.3860 761855.3970 2.8554 3.0553 PRESSURE: 3698800 -61.4475 -98.0697 79.2377 -98.0693 -5.27923 -57.14 79.2389 -57.141 -101.008 GPRESSURE: 3698800 -7.34137 -136.424 129.148 -111.498 40.3512 28.2151 80.7937 34.529 -101.706 PRESSAVG: 3698800 40.912 6.79485 -39.4775 6.79478 -24.8541 -15.4285 -39.4775 -15.4285 7.78124 GPRESSAVG: 3698800 40.7039 4.44606 -39.8604 8.01006 -24.1573 -14.0242 -38.8375 -15.6063 7.79739 TIMING: 3698800 CPU: 11913.5, 0.00402207/step Wall: 11913.5, 0.00402207/step, 1.45375 hours remaining, 232.917969 MB of memory in use. ENERGY: 3698800 3920.4526 20527.4844 14437.5418 237.7538 -203313.9958 2703.8613 0.0000 0.0000 52251.9514 -109234.9505 300.2927 -161486.9019 -108867.4902 300.0441 -55.9114 -22.8988 762385.8051 7.9464 8.1147 PRESSURE: 3699000 -251.763 143.017 -149.606 143.017 -306.249 -75.911 -149.606 -75.9112 -90.4745 GPRESSURE: 3699000 -257.791 163.261 -205.314 203.113 -264.611 29.0346 -57.9183 -99.5306 -47.1511 PRESSAVG: 3699000 75.24 46.0295 39.9979 46.0294 -16.2843 -13.6904 39.9978 -13.6905 10.3077 GPRESSAVG: 3699000 76.4804 48.4309 41.4143 45.4498 -17.2646 -13.6527 39.3885 -14.5712 10.5878 TIMING: 3699000 CPU: 11914.3, 0.00398822/step Wall: 11914.3, 0.00398822/step, 1.4413 hours remaining, 232.917969 MB of memory in use. ENERGY: 3699000 3967.4435 20541.3073 14460.6713 241.8422 -203660.5453 2663.4759 0.0000 0.0000 52245.7043 -109540.1007 300.2568 -161785.8050 -109179.1840 299.3492 -216.1622 -189.8512 759976.0615 23.0878 23.2679 PRESSURE: 3699200 17.0335 -280.386 -102.188 -280.387 215.838 -105.895 -102.189 -105.895 -66.67 GPRESSURE: 3699200 -13.7798 -87.6475 20.6788 -208.15 196.212 -155.747 8.42282 -110.617 50.5769 PRESSAVG: 3699200 49.1713 -3.08613 25.8209 -3.08611 -48.3712 -37.0112 25.8208 -37.0112 12.2557 GPRESSAVG: 3699200 48.3886 -4.09464 26.5071 -4.28409 -49.117 -37.8498 22.9046 -35.5895 12.4055 TIMING: 3699200 CPU: 11915.1, 0.00402474/step Wall: 11915.1, 0.00402474/step, 1.45427 hours remaining, 232.917969 MB of memory in use. ENERGY: 3699200 3939.8759 20546.5788 14496.1608 261.9323 -203392.4305 2501.8877 0.0000 0.0000 52057.6072 -109588.3878 299.1758 -161645.9950 -109227.9042 298.9858 55.4006 77.6697 759344.4941 4.3520 3.8924 PRESSURE: 3699400 -139.618 113.144 169.023 113.145 -134.184 48.5986 169.022 48.5978 -120.486 GPRESSURE: 3699400 -73.7359 5.20286 165.413 170.222 -83.5865 83.2744 199.476 -56.2083 -157.133 PRESSAVG: 3699400 34.0627 1.2059 18.0442 1.20592 -72.9841 30.8151 18.0442 30.8151 48.9256 GPRESSAVG: 3699400 34.4679 0.693689 17.812 1.35569 -72.327 31.3808 20.4015 29.1387 48.0676 TIMING: 3699400 CPU: 11915.9, 0.00403177/step Wall: 11915.9, 0.00403177/step, 1.45659 hours remaining, 232.917969 MB of memory in use. ENERGY: 3699400 3966.7580 20417.3641 14503.9442 247.0414 -203148.3386 2350.0955 0.0000 0.0000 52158.8586 -109504.2769 299.7577 -161663.1355 -109146.5711 299.2767 -131.4292 -104.8184 759421.3456 3.3347 3.4028 PRESSURE: 3699600 -77.7317 251.44 201.956 251.438 -217.795 49.9092 201.956 49.911 255.227 GPRESSURE: 3699600 -74.9038 239.121 78.5101 174.461 -85.4426 71.4741 285.442 -19.3999 197.055 PRESSAVG: 3699600 10.7733 -10.7498 51.9255 -10.7498 7.36064 -40.3842 51.9255 -40.3841 -2.87365 GPRESSAVG: 3699600 10.4924 -9.89171 51.4085 -10.8559 8.4754 -39.7043 51.2116 -39.6303 -3.52787 TIMING: 3699600 CPU: 11916.7, 0.00402588/step Wall: 11916.7, 0.00402588/step, 1.45424 hours remaining, 232.917969 MB of memory in use. ENERGY: 3699600 3936.3401 20562.1593 14423.0934 235.5022 -203593.4841 2713.3278 0.0000 0.0000 52079.3659 -109643.6953 299.3008 -161723.0612 -109273.8107 299.1318 -13.4333 12.2363 761127.2856 5.0868 5.1466 PRESSURE: 3699800 -180.592 58.4276 -20.7336 58.4277 185.383 190.415 -20.7331 190.415 -18.0908 GPRESSURE: 3699800 -56.4884 100.173 -3.92832 35.8845 161.962 149.139 -37.4519 178.992 -43.5327 PRESSAVG: 3699800 62.5189 -35.3557 46.9365 -35.3557 -71.332 -28.0763 46.9364 -28.0763 22.9996 GPRESSAVG: 3699800 62.8423 -35.3684 47.7454 -34.7616 -71.9201 -29.4223 46.6543 -30.1868 22.7646 TIMING: 3699800 CPU: 11917.5, 0.0040099/step Wall: 11917.5, 0.0040099/step, 1.44824 hours remaining, 232.917969 MB of memory in use. ENERGY: 3699800 3961.4334 20558.8492 14349.0237 239.9539 -203358.9522 2537.0576 0.0000 0.0000 51950.3258 -109762.3087 298.5592 -161712.6345 -109401.8701 298.1204 -4.4330 20.6471 760802.9138 4.7289 4.5622 WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3700000 324.776 202.168 38.7254 202.169 141.841 -267.208 38.7262 -267.208 76.1487 GPRESSURE: 3700000 444.463 223.416 65.1489 99.9341 131.198 -217.795 51.5748 -216.128 60.0862 PRESSAVG: 3700000 31.8639 25.0785 -21.8339 25.0785 -23.8504 -2.40688 -21.8339 -2.40685 -21.0932 GPRESSAVG: 3700000 32.3124 26.5742 -21.9119 24.6647 -23.8859 -2.79728 -22.9329 -0.745537 -20.9449 TIMING: 3700000 CPU: 11918.4, 0.00415552/step Wall: 11918.4, 0.00415552/step, 1.50061 hours remaining, 232.972656 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: 3700000 3911.7127 20484.5048 14359.6851 241.0175 -203019.9980 2442.7441 0.0000 0.0000 51908.5738 -109671.7601 298.3193 -161580.3339 -109308.7732 298.5641 180.9220 211.9157 761091.3766 -4.3599 -4.1728 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 PRESSURE: 3700200 -205.084 88.1949 87.2203 88.1937 -383.788 -64.7977 87.2198 -64.7977 -356.929 GPRESSURE: 3700200 -162.824 100.254 159.736 118.726 -330.539 -53.3297 84.4298 89.6254 -371.194 PRESSAVG: 3700200 13.5287 -10.2984 -8.35601 -10.2984 -15.5806 36.6119 -8.35599 36.6119 -8.91323 GPRESSAVG: 3700200 13.0107 -10.3516 -7.69034 -9.80815 -16.321 36.6196 -8.32252 36.6436 -7.31309 TIMING: 3700200 CPU: 11919.2, 0.00408376/step Wall: 11919.2, 0.00408376/step, 1.47447 hours remaining, 232.972656 MB of memory in use. ENERGY: 3700200 4069.9417 20485.5302 14446.7392 265.0956 -203131.6799 2216.1347 0.0000 0.0000 51985.3582 -109662.8803 298.7606 -161648.2385 -109297.6193 298.8264 -315.2669 -288.1859 759601.4163 -3.6551 -3.5412 LDB: ============= START OF LOAD BALANCING ============== 11931.7 LDB: ============== END OF LOAD BALANCING =============== 11931.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11931.7 LDB: ============= START OF LOAD BALANCING ============== 11932.1 LDB: Largest compute 7033 load 0.029129 is 15.1% of average load 0.193379 LDB: Average compute 0.004439 is 2.3% of average load 0.193379 LDB: TIME 11932.1 LOAD: AVG 0.193379 MAX 0.212497 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.043 MB LDB: TIME 11932.1 LOAD: AVG 0.193379 MAX 0.212497 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: TIME 11932.1 LOAD: AVG 0.193379 MAX 0.212497 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: ============== END OF LOAD BALANCING =============== 11932.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11932.1 PRESSURE: 3700400 -61.3234 -50.5218 -20.1808 -50.5217 332.856 62.3185 -20.1805 62.318 -36.0241 GPRESSURE: 3700400 16.9517 52.8431 -33.5242 12.6463 339.429 76.0593 5.94626 80.1984 -38.7098 PRESSAVG: 3700400 -3.07199 -30.5802 -16.0739 -30.5803 -10.2293 -39.4025 -16.0739 -39.4025 -5.22205 GPRESSAVG: 3700400 -3.05627 -32.2327 -17.4315 -28.3258 -9.45791 -38.8299 -14.7725 -37.4904 -6.23107 TIMING: 3700400 CPU: 11920, 0.00409342/step Wall: 11920, 0.00409342/step, 1.47773 hours remaining, 233.570312 MB of memory in use. ENERGY: 3700400 3962.0412 20528.4372 14400.4318 250.9134 -203257.5495 2480.6937 0.0000 0.0000 51822.3581 -109812.6741 297.8238 -161635.0322 -109457.7530 298.5563 78.5030 105.8904 759658.6009 -6.1745 -6.2484 PRESSURE: 3700600 -190.952 -140.604 -97.524 -140.605 -118.594 -203.187 -97.5243 -203.187 -205.028 GPRESSURE: 3700600 -147.216 -156.16 -161.679 -204.664 -114.075 -152.235 -123.732 -329.156 -176.463 PRESSAVG: 3700600 -11.0646 -37.8549 13.0198 -37.855 15.531 -1.55815 13.0197 -1.55811 -17.7372 GPRESSAVG: 3700600 -10.7439 -40.4494 13.8966 -38.8517 14.8771 -2.0519 13.1172 -4.74152 -17.805 TIMING: 3700600 CPU: 11920.8, 0.00403701/step Wall: 11920.8, 0.00403701/step, 1.45714 hours remaining, 233.894531 MB of memory in use. ENERGY: 3700600 4034.0618 20543.9656 14436.2306 244.0585 -203014.7128 2211.2256 0.0000 0.0000 51713.3524 -109831.8182 297.1973 -161545.1706 -109474.3684 298.6160 -171.5247 -145.9179 761327.5733 -4.4236 -4.5573 PRESSURE: 3700800 219.894 -10.1113 152.776 -10.1105 109.319 21.5015 152.776 21.5003 -30.2376 GPRESSURE: 3700800 189.841 9.47693 103.837 -99.1722 263.757 -34.2193 84.9897 36.8415 -43.9489 PRESSAVG: 3700800 9.89678 -25.0199 -4.45443 -25.0199 -30.7658 -0.353193 -4.45445 -0.353208 13.38 GPRESSAVG: 3700800 9.96402 -22.8857 -6.53697 -25.3719 -31.2585 -0.809366 -5.86074 2.04756 13.9208 TIMING: 3700800 CPU: 11921.6, 0.00402093/step Wall: 11921.6, 0.00402093/step, 1.45111 hours remaining, 233.894531 MB of memory in use. ENERGY: 3700800 3993.9713 20447.9312 14403.1705 246.5782 -203452.6750 2660.0622 0.0000 0.0000 52190.0450 -109510.9166 299.9369 -161700.9616 -109144.6830 298.8159 99.6586 136.5499 761019.9402 -2.4964 -2.4579 PRESSURE: 3701000 -157.607 -261.769 113.826 -261.768 -4.31615 -173.474 113.826 -173.474 161.558 GPRESSURE: 3701000 -95.9935 -172.302 167.399 -224.157 -14.9333 -105.723 25.2845 -130.36 189.304 PRESSAVG: 3701000 16.3774 -8.63608 -30.0085 -8.63612 -30.8537 -54.5194 -30.0085 -54.5194 21.0169 GPRESSAVG: 3701000 15.6889 -9.16647 -27.6347 -8.62225 -29.8118 -52.0359 -30.119 -55.3352 20.2055 TIMING: 3701000 CPU: 11922.4, 0.00402671/step Wall: 11922.4, 0.00402671/step, 1.45297 hours remaining, 233.894531 MB of memory in use. ENERGY: 3701000 3934.3586 20531.2229 14438.9520 237.8679 -203200.9675 2347.0914 0.0000 0.0000 52303.9666 -109407.5080 300.5916 -161711.4746 -109044.4308 299.1552 -0.1219 26.1257 759682.9613 2.1802 2.0275 PRESSURE: 3701200 8.88337 -66.8993 -107.002 -66.8994 206.262 -125.085 -107.002 -125.085 16.115 GPRESSURE: 3701200 165.037 -26.2806 -106.631 -84.5657 68.3486 -169.932 -31.635 -62.8148 70.7099 PRESSAVG: 3701200 -4.16862 -36.0495 -25.5756 -36.0495 -30.8651 -7.1765 -25.5757 -7.17646 13.528 GPRESSAVG: 3701200 -2.64615 -35.0189 -26.9702 -34.9288 -32.3283 -6.63476 -24.304 -10.1532 13.3729 TIMING: 3701200 CPU: 11923.2, 0.00401951/step Wall: 11923.2, 0.00401951/step, 1.45015 hours remaining, 233.894531 MB of memory in use. ENERGY: 3701200 4018.9166 20632.4567 14388.6234 239.0345 -202850.8651 2304.9604 0.0000 0.0000 52064.4642 -109202.4093 299.2152 -161266.8735 -108848.5708 300.0871 77.0869 101.3651 761153.9268 -7.1686 -7.2005 PRESSURE: 3701400 132.268 31.0361 -213.275 31.0365 61.8352 -235.569 -213.275 -235.569 52.9587 GPRESSURE: 3701400 135.259 -48.8115 -194.801 37.7841 91.1785 -290.832 -70.2888 -186.647 117.561 PRESSAVG: 3701400 -26.1072 17.7648 -23.706 17.7649 12.7869 -1.89775 -23.706 -1.89777 -22.9139 GPRESSAVG: 3701400 -26.6695 18.0488 -23.1842 16.8677 13.8584 -4.05959 -22.8661 1.45022 -23.5521 TIMING: 3701400 CPU: 11924, 0.00402175/step Wall: 11924, 0.00402175/step, 1.45073 hours remaining, 233.894531 MB of memory in use. ENERGY: 3701400 4039.5035 20460.3005 14458.6788 243.7285 -203354.7117 2732.9141 0.0000 0.0000 52222.3584 -109197.2280 300.1226 -161419.5865 -108834.4958 300.0205 82.3539 114.6663 760909.3200 -12.0781 -12.1211 PRESSURE: 3701600 96.57 -140.742 65.219 -140.741 -298.653 -270.356 65.219 -270.357 -4.21581 GPRESSURE: 3701600 40.3556 -176.523 13.4893 -139.522 -169.151 -262.873 66.0706 -265.773 -0.25193 PRESSAVG: 3701600 8.84258 52.5928 9.42199 52.5928 -9.94511 -49.7812 9.42204 -49.7811 17.4794 GPRESSAVG: 3701600 8.28421 52.2274 8.96667 53.1697 -8.71508 -48.7332 7.05815 -51.1471 16.9053 TIMING: 3701600 CPU: 11924.8, 0.00401837/step Wall: 11924.8, 0.00401837/step, 1.44929 hours remaining, 233.894531 MB of memory in use. ENERGY: 3701600 4019.5712 20401.2359 14545.4318 246.7582 -202784.8912 2278.3519 0.0000 0.0000 52118.8773 -109174.6649 299.5279 -161293.5422 -108815.9630 299.5580 -68.7662 -43.0158 762812.0168 5.4589 5.4915 PRESSURE: 3701800 179.714 -29.7445 -14.4523 -29.7446 177.979 60.2736 -14.4524 60.2747 378.751 GPRESSURE: 3701800 198.733 30.4858 -54.1813 -26.467 197.95 -4.70625 96.2876 29.8291 409.768 PRESSAVG: 3701800 36.5159 8.18523 -5.87244 8.18521 -37.8497 -49.8559 -5.87239 -49.8559 3.78427 GPRESSAVG: 3701800 36.1372 6.19473 -8.08301 7.87449 -37.6105 -51.6141 -3.90531 -50.715 3.60045 TIMING: 3701800 CPU: 11925.6, 0.00401397/step Wall: 11925.6, 0.00401397/step, 1.44748 hours remaining, 233.894531 MB of memory in use. ENERGY: 3701800 4046.7319 20505.4950 14502.0859 238.7095 -202993.4319 2508.1656 0.0000 0.0000 52040.6997 -109151.5443 299.0786 -161192.2440 -108793.5383 300.2699 245.4815 268.8169 759891.0985 0.8168 0.7091 PRESSURE: 3702000 -29.1675 -79.2078 -113.869 -79.2081 16.3781 56.8959 -113.869 56.8953 202.402 GPRESSURE: 3702000 -1.26866 26.1523 -91.356 -56.7952 27.9999 127.487 -66.7266 71.8257 239.002 PRESSAVG: 3702000 24.7641 28.0795 21.5289 28.0795 13.2079 -2.24101 21.5289 -2.24101 13.0277 GPRESSAVG: 3702000 24.4226 30.488 25.0322 27.0389 12.4877 -1.15419 20.1106 -1.09141 14.6541 TIMING: 3702000 CPU: 11926.4, 0.00404187/step Wall: 11926.4, 0.00404187/step, 1.45732 hours remaining, 233.894531 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: 3702000 4034.7612 20539.3232 14512.4316 233.4258 -202862.2819 2358.2038 0.0000 0.0000 51839.6261 -109344.5102 297.9230 -161184.1363 -108979.9979 300.0742 63.2042 88.5777 762089.4402 16.9999 17.1882 PRESSURE: 3702200 6.76081 -56.9006 58.014 -56.9006 43.2335 -82.9763 58.0142 -82.9765 -139.165 GPRESSURE: 3702200 3.33966 -81.3945 114.907 -160.35 157.507 -19.2643 89.7873 -107.486 -183.391 PRESSAVG: 3702200 -15.7812 -16.7321 41.149 -16.7321 -27.8979 16.7483 41.149 16.7483 -4.74022 GPRESSAVG: 3702200 -15.7428 -18.5542 40.6455 -15.2824 -27.732 16.9953 40.5346 14.3731 -4.90712 TIMING: 3702200 CPU: 11927.3, 0.00403754/step Wall: 11927.3, 0.00403754/step, 1.45553 hours remaining, 233.894531 MB of memory in use. ENERGY: 3702200 3956.5181 20595.5716 14447.8010 258.3694 -203192.9346 2431.1717 0.0000 0.0000 52039.8867 -109463.6161 299.0739 -161503.5029 -109100.9842 299.5191 -29.7235 -7.5147 760531.6592 -16.1398 -16.1273 PRESSURE: 3702400 -209.272 61.9516 -88.2509 61.9521 235.71 480.517 -88.2504 480.517 448.951 GPRESSURE: 3702400 -75.8942 29.2837 -25.8035 87.0417 225.018 419.652 21.3557 441.39 405.74 PRESSAVG: 3702400 14.9651 -56.3089 8.63009 -56.309 30.013 9.94699 8.63011 9.94697 -13.7964 GPRESSAVG: 3702400 15.5576 -55.7925 7.60332 -56.2964 29.4294 9.5048 11.8596 11.6161 -13.8301 TIMING: 3702400 CPU: 11928.1, 0.00403327/step Wall: 11928.1, 0.00403327/step, 1.45377 hours remaining, 233.894531 MB of memory in use. ENERGY: 3702400 3989.5376 20434.3768 14417.6938 235.0215 -203104.8111 2582.3734 0.0000 0.0000 51959.5681 -109486.2398 298.6124 -161445.8079 -109123.2178 299.3191 158.4627 184.9547 761170.3089 10.3939 10.3856 PRESSURE: 3702600 -250.654 -51.1705 -55.2731 -51.1713 362.073 -58.2862 -55.274 -58.2861 231.027 GPRESSURE: 3702600 -243.87 -88.9265 -45.7293 -33.9792 364.907 -73.9049 -65.7453 -20.2457 291.645 PRESSAVG: 3702600 -18.7045 -56.363 4.86204 -56.363 13.5666 35.7839 4.86207 35.7839 -1.52815 GPRESSAVG: 3702600 -18.5436 -57.1645 7.08749 -55.3386 13.7089 34.6167 2.07323 34.8552 -2.04922 TIMING: 3702600 CPU: 11928.9, 0.0040263/step Wall: 11928.9, 0.0040263/step, 1.45104 hours remaining, 233.894531 MB of memory in use. ENERGY: 3702600 4009.5823 20659.6878 14411.8462 250.4325 -203597.4426 2711.7940 0.0000 0.0000 52184.1249 -109369.9748 299.9029 -161554.0997 -109014.0890 299.2584 114.1487 137.5607 760944.4155 -2.2220 -2.2947 PRESSURE: 3702800 12.3194 134.87 10.6404 134.869 -254.804 105.028 10.6406 105.028 -308.481 GPRESSURE: 3702800 65.6426 91.9969 -36.5604 32.9422 -210.472 157.031 -74.6551 106.372 -302.227 PRESSAVG: 3702800 20.0902 -31.6227 3.06662 -31.6227 -33.297 -13.942 3.06663 -13.9421 15.8771 GPRESSAVG: 3702800 20.3276 -30.2774 0.894504 -34.5446 -32.8378 -13.1213 3.67073 -14.9152 14.8883 TIMING: 3702800 CPU: 11929.7, 0.00400067/step Wall: 11929.7, 0.00400067/step, 1.44158 hours remaining, 233.894531 MB of memory in use. ENERGY: 3702800 4114.0095 20404.6919 14373.9674 231.6925 -202818.0372 2206.7030 0.0000 0.0000 52125.6260 -109361.3469 299.5667 -161486.9730 -108993.8201 299.9305 -183.6554 -149.0190 761272.2426 0.8901 0.7927 PRESSURE: 3703000 -41.373 52.7861 -69.8656 52.7871 -217.943 -172.646 -69.8655 -172.646 -79.5561 GPRESSURE: 3703000 -57.6133 17.0598 32.8206 74.5448 -163.407 -209.512 -12.3108 -129.835 -27.88 PRESSAVG: 3703000 12.8698 -11.3871 14.7223 -11.3871 4.93748 -70.64 14.7223 -70.6401 13.9876 GPRESSAVG: 3703000 11.6878 -11.5271 15.7799 -7.3227 4.43407 -71.6087 12.4653 -68.4714 15.9204 TIMING: 3703000 CPU: 11930.5, 0.00404118/step Wall: 11930.5, 0.00404118/step, 1.45595 hours remaining, 233.894531 MB of memory in use. ENERGY: 3703000 3958.3216 20593.9442 14447.4644 233.3646 -203059.6917 2353.2215 0.0000 0.0000 52177.7634 -109295.6119 299.8663 -161473.3753 -108933.1977 299.7217 -112.9574 -82.9666 760371.3554 10.5983 10.6808 PRESSURE: 3703200 -90.5377 14.3617 -5.52859 14.3611 -433.449 -200.015 -5.52882 -200.015 217.664 GPRESSURE: 3703200 -171.074 20.4422 -96.9701 23.7036 -271.765 -162.512 -140.973 -129.09 200.073 PRESSAVG: 3703200 0.303541 14.1633 -7.0559 14.1633 -14.0016 -42.6727 -7.05591 -42.6726 -34.129 GPRESSAVG: 3703200 0.767255 13.317 -6.98278 11.3815 -14.1792 -40.6171 -5.84169 -43.4959 -34.5883 TIMING: 3703200 CPU: 11931.3, 0.00405944/step Wall: 11931.3, 0.00405944/step, 1.4623 hours remaining, 233.894531 MB of memory in use. ENERGY: 3703200 4054.7600 20658.0296 14566.3562 260.4004 -202637.6391 1875.0113 0.0000 0.0000 52099.6197 -109123.4619 299.4172 -161223.0816 -108760.9170 300.0835 -102.1077 -80.9220 760300.2637 -15.9424 -16.0001 PRESSURE: 3703400 -65.6231 -102.862 -58.64 -102.863 -601.835 -33.0366 -58.6399 -33.0376 -172.502 GPRESSURE: 3703400 -166.136 -115.27 -52.213 1.89695 -498.26 -101.246 -122.589 100.958 -90.2252 PRESSAVG: 3703400 14.3724 17.4207 -7.19475 17.4207 -41.8093 31.4894 -7.19472 31.4893 -14.5256 GPRESSAVG: 3703400 13.8924 17.0241 -7.32699 18.9105 -40.8972 30.7012 -7.88623 31.651 -14.9909 TIMING: 3703400 CPU: 11932.1, 0.00404968/step Wall: 11932.1, 0.00404968/step, 1.45856 hours remaining, 233.894531 MB of memory in use. ENERGY: 3703400 4022.7841 20406.7090 14450.6916 252.9526 -202921.9900 2285.3395 0.0000 0.0000 52322.1131 -109181.4000 300.6959 -161503.5131 -108814.9167 299.9428 -279.9866 -251.5405 762302.9157 -13.9875 -13.9986 PRESSURE: 3703600 -95.6869 -273.852 -16.6859 -273.851 -26.0053 -136.155 -16.6859 -136.154 -71.9895 GPRESSURE: 3703600 51.3515 -178.546 13.7034 -219.869 -59.2154 -89.9847 -138.624 -93.8132 -84.6815 PRESSAVG: 3703600 40.0779 3.36709 -19.0652 3.36703 -50.8918 -41.6899 -19.0652 -41.6899 -7.30057 GPRESSAVG: 3703600 40.8839 4.22459 -19.3934 2.41172 -51.0575 -41.828 -19.5549 -41.191 -7.833 TIMING: 3703600 CPU: 11932.9, 0.00403561/step Wall: 11932.9, 0.00403561/step, 1.45327 hours remaining, 233.894531 MB of memory in use. ENERGY: 3703600 4015.8577 20411.5036 14470.4010 259.6345 -203125.6613 2365.5277 0.0000 0.0000 52323.3335 -109279.4033 300.7029 -161602.7368 -108908.5500 299.6441 -64.5606 -30.8485 761731.8040 -6.0381 -6.0022 PRESSURE: 3703800 -107.108 13.1856 -3.44999 13.1858 -209.152 52.3322 -3.45039 52.333 -10.0631 GPRESSURE: 3703800 -11.2216 25.4406 -44.8047 32.3121 -272.309 57.1452 -218.174 77.9156 52.0216 PRESSAVG: 3703800 -43.5089 55.036 11.7427 55.036 11.8613 17.3316 11.7427 17.3315 -7.10018 GPRESSAVG: 3703800 -41.6958 53.4106 10.5755 55.6013 10.1202 18.1176 12.2181 16.9913 -6.89263 TIMING: 3703800 CPU: 11933.7, 0.00406711/step Wall: 11933.7, 0.00406711/step, 1.46439 hours remaining, 233.894531 MB of memory in use. ENERGY: 3703800 3954.7065 20456.5137 14377.4420 262.3109 -202843.3542 2377.9193 0.0000 0.0000 52142.4263 -109272.0355 299.6632 -161414.4617 -108907.2339 299.6299 -108.7743 -77.1698 761077.6924 -12.9159 -12.8227 PRESSURE: 3704000 152.384 -35.0712 -76.2297 -35.072 30.1962 169.786 -76.2294 169.785 -49.7336 GPRESSURE: 3704000 197.412 44.4399 -110.932 50.8648 43.1774 286.014 -49.5619 34.8397 -43.4676 PRESSAVG: 3704000 21.3801 10.1205 3.71426 10.1204 7.20024 9.44224 3.71424 9.44221 -16.8239 GPRESSAVG: 3704000 18.8525 13.7381 6.65297 8.97626 8.30502 9.03377 3.2405 7.11954 -15.5781 TIMING: 3704000 CPU: 11934.5, 0.00404228/step Wall: 11934.5, 0.00404228/step, 1.45522 hours remaining, 233.894531 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: 3704000 3994.8580 20506.7969 14434.2692 235.7322 -202963.4233 2280.6526 0.0000 0.0000 52168.9985 -109342.1159 299.8160 -161511.1144 -108973.6346 299.9221 44.2823 65.7071 761572.0266 3.9188 3.8598 PRESSURE: 3704200 -349.501 30.022 -314.447 30.0222 -39.9693 5.43532 -314.447 5.43495 -142.929 GPRESSURE: 3704200 -293.336 -112.469 -339.362 62.155 -78.1886 19.2204 -134.615 17.9088 -83.802 PRESSAVG: 3704200 30.1263 -27.9414 -21.7541 -27.9414 -22.8693 7.20815 -21.7541 7.20814 5.18563 GPRESSAVG: 3704200 30.8578 -29.1207 -23.7138 -26.8231 -23.4712 6.3225 -21.3178 8.54569 5.1035 TIMING: 3704200 CPU: 11935.3, 0.00404916/step Wall: 11935.3, 0.00404916/step, 1.45747 hours remaining, 233.894531 MB of memory in use. ENERGY: 3704200 3959.1888 20457.9694 14511.8777 246.4357 -202431.2501 2058.8904 0.0000 0.0000 52055.8014 -109141.0868 299.1654 -161196.8882 -108778.8652 299.1961 -177.4667 -151.7756 760905.9361 4.1475 4.1634 LDB: ============= START OF LOAD BALANCING ============== 11947.8 LDB: ============== END OF LOAD BALANCING =============== 11947.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11947.8 LDB: ============= START OF LOAD BALANCING ============== 11948.2 LDB: Largest compute 7049 load 0.030584 is 15.8% of average load 0.193400 LDB: Average compute 0.004450 is 2.3% of average load 0.193400 LDB: TIME 11948.3 LOAD: AVG 0.1934 MAX 0.212067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.434 MB LDB: TIME 11948.3 LOAD: AVG 0.1934 MAX 0.212067 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: TIME 11948.3 LOAD: AVG 0.1934 MAX 0.212067 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: ============== END OF LOAD BALANCING =============== 11948.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11948.3 PRESSURE: 3704400 -24.1443 73.9843 -168.999 73.9831 173.287 -27.3843 -168.999 -27.384 238.263 GPRESSURE: 3704400 159.569 37.7221 -210.845 20.2675 136.273 -93.4695 -138.237 6.38598 180.901 PRESSAVG: 3704400 -10.163 -16.788 -58.9627 -16.788 9.64821 -6.16031 -58.9626 -6.16028 17.8483 GPRESSAVG: 3704400 -9.22873 -20.7769 -59.4788 -16.7783 9.93841 -5.41381 -57.2056 -6.6618 16.2229 TIMING: 3704400 CPU: 11936.2, 0.00408933/step Wall: 11936.2, 0.00408933/step, 1.4717 hours remaining, 234.593750 MB of memory in use. ENERGY: 3704400 4028.7617 20449.0393 14475.8077 238.5879 -202390.1858 2126.8809 0.0000 0.0000 52091.9554 -108979.1528 299.3732 -161071.1082 -108609.0054 299.4491 129.1352 158.9141 761639.6786 5.7778 5.6442 PRESSURE: 3704600 88.1339 6.2262 -51.1541 6.22403 -195.687 53.2426 -51.1539 53.2423 446.265 GPRESSURE: 3704600 90.5257 -7.94379 38.9464 1.36934 -143.042 6.42316 -152.695 68.5702 502.785 PRESSAVG: 3704600 17.4334 -38.1588 -17.3794 -38.1588 0.159877 -5.59494 -17.3794 -5.59499 -3.95206 GPRESSAVG: 3704600 17.3029 -33.1944 -15.5833 -40.924 -0.695955 -5.55685 -18.63 -5.27812 -3.12536 TIMING: 3704600 CPU: 11937, 0.00400651/step Wall: 11937, 0.00400651/step, 1.44168 hours remaining, 234.796875 MB of memory in use. ENERGY: 3704600 3927.2988 20385.9590 14472.3013 217.5793 -202682.7929 2423.5796 0.0000 0.0000 52042.5987 -109213.4763 299.0895 -161256.0750 -108847.6917 299.6650 112.9038 150.0895 762728.5511 4.5471 4.4939 PRESSURE: 3704800 118.429 -105.451 41.1119 -105.452 264.267 -54.2706 41.1126 -54.2701 -273.901 GPRESSURE: 3704800 90.3322 -114.12 -9.40801 -105.584 221.606 -10.2854 3.61702 -121.464 -127.883 PRESSAVG: 3704800 9.29403 -11.7556 10.5383 -11.7556 -30.4105 22.6229 10.5382 22.6229 12.3653 GPRESSAVG: 3704800 8.53801 -14.9824 9.40686 -8.46349 -29.5002 22.1099 10.4279 23.8919 12.3143 TIMING: 3704800 CPU: 11937.8, 0.00405434/step Wall: 11937.8, 0.00405434/step, 1.45866 hours remaining, 235.179688 MB of memory in use. ENERGY: 3704800 4021.9213 20474.1718 14460.4533 253.6569 -202631.8163 2196.0050 0.0000 0.0000 51930.0445 -109295.5636 298.4427 -161225.6080 -108940.7487 299.2625 36.2649 61.3518 762289.9026 -2.9171 -2.8826 PRESSURE: 3705000 -173.942 4.7423 16.9201 4.7423 -597.365 57.2838 16.9198 57.2832 -236.079 GPRESSURE: 3705000 -209.453 -63.3011 -58.8735 8.90709 -451.94 42.5034 30.888 99.5548 -256.505 PRESSAVG: 3705000 7.46726 -44.2582 -50.1418 -44.2582 -6.6056 -4.93009 -50.1418 -4.93005 -12.6583 GPRESSAVG: 3705000 6.90026 -42.2965 -49.726 -45.0777 -5.86271 -5.0561 -50.5915 -5.16608 -12.7934 TIMING: 3705000 CPU: 11938.6, 0.00405083/step Wall: 11938.6, 0.00405083/step, 1.45718 hours remaining, 235.179688 MB of memory in use. ENERGY: 3705000 4034.9229 20381.4374 14457.7394 239.2216 -203136.6376 2496.6477 0.0000 0.0000 52233.9348 -109292.7337 300.1891 -161526.6684 -108923.8030 299.4415 -335.7954 -305.9659 762877.3152 -3.9322 -3.9186 PRESSURE: 3705200 422.102 -166.335 -84.9503 -166.335 -75.7498 142.48 -84.9494 142.48 358.63 GPRESSURE: 3705200 356.624 -109.067 -47.8597 -192.018 68.3086 163.104 -107.919 177.226 375.712 PRESSAVG: 3705200 59.982 -28.0861 -7.49224 -28.0861 -23.4941 -31.5469 -7.49217 -31.5469 -28.8192 GPRESSAVG: 3705200 59.5553 -29.8514 -5.32064 -29.4249 -23.5257 -31.1603 -6.76152 -31.8189 -28.5769 TIMING: 3705200 CPU: 11939.4, 0.00404372/step Wall: 11939.4, 0.00404372/step, 1.45439 hours remaining, 235.179688 MB of memory in use. ENERGY: 3705200 4033.5605 20338.6333 14491.9200 238.6269 -202972.5078 2484.0457 0.0000 0.0000 51988.9880 -109396.7334 298.7814 -161385.7214 -109021.3366 299.5476 234.9938 266.8815 762371.4082 2.5562 2.4842 PRESSURE: 3705400 -283.232 -6.3856 -87.9382 -6.38637 -77.3917 106.498 -87.9376 106.498 65.1933 GPRESSURE: 3705400 -189.343 -59.2264 -73.9685 119.838 -45.9056 41.0936 -32.1472 114.029 43.1096 PRESSAVG: 3705400 -48.8682 -81.3562 20.01 -81.3563 45.9685 46.3131 20.0099 46.3131 3.65865 GPRESSAVG: 3705400 -48.2325 -81.2654 17.3792 -79.9725 44.8685 46.0368 20.5727 45.9085 4.19464 TIMING: 3705400 CPU: 11940.2, 0.00402227/step Wall: 11940.2, 0.00402227/step, 1.44645 hours remaining, 235.179688 MB of memory in use. ENERGY: 3705400 3956.4193 20396.3594 14446.8058 243.5024 -203132.9144 2336.3239 0.0000 0.0000 52336.7295 -109416.7741 300.7799 -161753.5035 -109048.4942 299.2717 -98.4768 -64.0465 763126.0212 0.2530 0.2769 PRESSURE: 3705600 408.881 -68.6822 170.682 -68.6819 -243.009 -240.391 170.682 -240.391 -173.29 GPRESSURE: 3705600 430.677 -15.2508 62.7785 -155.634 -207.685 -130.47 181.101 -332.731 -156.201 PRESSAVG: 3705600 -1.80416 -44.4074 -1.1204 -44.4074 14.397 -17.2146 -1.12042 -17.2146 -8.13269 GPRESSAVG: 3705600 -1.98099 -43.8239 -0.406497 -47.2458 14.7834 -15.9685 -1.83027 -19.8762 -8.52643 TIMING: 3705600 CPU: 11941, 0.00401037/step Wall: 11941, 0.00401037/step, 1.44195 hours remaining, 235.226562 MB of memory in use. ENERGY: 3705600 3898.7765 20306.5409 14396.5927 245.4058 -203034.3674 2494.7567 0.0000 0.0000 51989.9043 -109702.3905 298.7867 -161692.2948 -109325.3438 298.9860 -2.4726 22.2638 762655.9856 1.4867 1.4253 PRESSURE: 3705800 -42.7674 -67.7643 250.826 -67.7648 -145.862 17.3916 250.826 17.391 -135.175 GPRESSURE: 3705800 -96.7987 -26.0003 237.358 24.1062 -72.8319 -13.4901 95.3363 -13.2842 -89.8226 PRESSAVG: 3705800 18.5312 -59.0559 17.9642 -59.056 1.3043 -24.5063 17.9642 -24.5063 -1.92272 GPRESSAVG: 3705800 16.6686 -60.4454 18.3287 -56.6103 2.15438 -24.9301 18.9367 -21.8736 -0.8603 TIMING: 3705800 CPU: 11941.8, 0.00403554/step Wall: 11941.8, 0.00403554/step, 1.45078 hours remaining, 235.226562 MB of memory in use. ENERGY: 3705800 3939.6590 20549.5325 14489.3557 245.0327 -203279.0590 2399.8539 0.0000 0.0000 52159.4942 -109496.1309 299.7613 -161655.6252 -109130.6927 299.1719 -107.9346 -86.4844 761833.9277 5.9709 5.9876 PRESSURE: 3706000 -141.063 -179.089 106.017 -179.089 -304.12 -295.725 106.018 -295.726 425.654 GPRESSURE: 3706000 -7.28674 -127.391 10.103 -206.439 -250.521 -221.316 223.71 -250.183 322.326 PRESSAVG: 3706000 41.119 -40.1946 -23.5182 -40.1946 -20.955 -34.2321 -23.5182 -34.2321 29.2442 GPRESSAVG: 3706000 44.4028 -38.7676 -23.0299 -41.966 -23.6535 -34.0223 -27.3435 -33.4508 28.4241 TIMING: 3706000 CPU: 11942.6, 0.00404705/step Wall: 11942.6, 0.00404705/step, 1.45469 hours remaining, 235.226562 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: 3706000 3970.7362 20734.6238 14475.2303 235.7882 -203215.7461 2416.1887 0.0000 0.0000 52034.0745 -109349.1044 299.0405 -161383.1789 -109000.2494 299.6361 -6.5096 21.5059 761646.4583 16.4694 16.3911 PRESSURE: 3706200 170.247 122.184 -136.134 122.185 -29.7844 -73.0189 -136.133 -73.0188 -59.8202 GPRESSURE: 3706200 202.57 90.6165 -169.72 18.0053 -20.183 -60.1043 -59.1153 -201.369 -21.8933 PRESSAVG: 3706200 -16.5236 -11.9779 16.5858 -11.978 15.3136 -41.6338 16.5858 -41.6338 4.40695 GPRESSAVG: 3706200 -17.8791 -12.503 15.5015 -9.9548 16.7491 -41.3094 21.6802 -41.4848 4.07365 TIMING: 3706200 CPU: 11943.4, 0.00401724/step Wall: 11943.4, 0.00401724/step, 1.44375 hours remaining, 235.226562 MB of memory in use. ENERGY: 3706200 3998.8676 20711.0270 14385.4662 273.0542 -203507.3527 2732.5049 0.0000 0.0000 52081.3039 -109325.1290 299.3120 -161406.4329 -108959.4381 299.6528 26.8809 53.4978 761863.1664 1.0657 0.9812 PRESSURE: 3706400 59.7072 -17.1812 88.6136 -17.1816 -187.741 -33.7796 88.6135 -33.7799 -209.354 GPRESSURE: 3706400 90.5877 53.446 187.109 -111.797 -98.0184 -68.3829 -4.82219 104.21 -230.861 PRESSAVG: 3706400 26.7564 9.89413 25.7813 9.89416 -52.1039 -32.7808 25.7814 -32.7808 2.47849 GPRESSAVG: 3706400 25.7257 9.77874 26.511 7.96816 -51.3602 -34.1347 23.2623 -35.2538 2.45602 TIMING: 3706400 CPU: 11944.2, 0.00404427/step Wall: 11944.2, 0.00404427/step, 1.45324 hours remaining, 235.226562 MB of memory in use. ENERGY: 3706400 4003.5335 20718.3552 14437.7079 238.3768 -203436.3481 2560.8432 0.0000 0.0000 52422.6007 -109054.9309 301.2734 -161477.5316 -108699.2759 300.2005 -112.4626 -79.4306 763222.4543 -7.6230 -7.7262 PRESSURE: 3706600 -15.1059 -297.608 78.4655 -297.608 -41.317 -51.3366 78.4655 -51.3364 86.6957 GPRESSURE: 3706600 -33.2999 -273.231 123.601 -255.931 39.1949 -110.651 103.18 -108.529 106.516 PRESSAVG: 3706600 -14.4007 -63.0288 -9.58945 -63.0288 24.0655 7.97618 -9.58944 7.97614 -6.32705 GPRESSAVG: 3706600 -14.0454 -60.4663 -10.5326 -61.3681 23.8685 8.15735 -9.04321 9.16706 -6.46622 TIMING: 3706600 CPU: 11945, 0.0040685/step Wall: 11945, 0.0040685/step, 1.46172 hours remaining, 235.226562 MB of memory in use. ENERGY: 3706600 3933.3179 20696.7450 14469.9536 244.1678 -203130.0860 2488.7124 0.0000 0.0000 52108.5533 -109188.6359 299.4686 -161297.1892 -108827.0304 300.8102 10.0910 37.4703 763176.5221 1.1126 1.1189 PRESSURE: 3706800 35.4969 -28.693 145.733 -28.6933 -42.8026 119.766 145.733 119.765 52.5257 GPRESSURE: 3706800 63.2466 -148.199 134.595 -30.8825 -2.01635 -20.655 165.788 199.878 33.3608 PRESSAVG: 3706800 16.0062 -84.1932 -33.8692 -84.1933 8.58341 -44.4713 -33.8691 -44.4713 20.5639 GPRESSAVG: 3706800 16.181 -87.0289 -32.9216 -83.9156 8.43169 -44.28 -33.864 -44.0725 20.3901 TIMING: 3706800 CPU: 11945.8, 0.00406302/step Wall: 11945.8, 0.00406302/step, 1.45953 hours remaining, 235.226562 MB of memory in use. ENERGY: 3706800 4016.5042 20495.1836 14405.0375 271.5948 -203315.1067 2519.7089 0.0000 0.0000 52410.7010 -109196.3767 301.2050 -161607.0777 -108822.8714 300.3169 15.0733 31.5303 761406.9711 15.0512 15.0010 PRESSURE: 3707000 -24.4911 167.585 -240.602 167.584 -122.217 19.9446 -240.602 19.9434 288.563 GPRESSURE: 3707000 9.2788 155.811 -231.909 54.5361 -123.831 129.099 -142.373 20.0817 313.836 PRESSAVG: 3707000 34.6387 -65.88 35.5757 -65.88 -23.4677 -32.663 35.5756 -32.663 8.06143 GPRESSAVG: 3707000 35.2346 -66.6127 33.829 -66.1127 -23.2763 -32.1352 35.6128 -35.3107 7.5368 TIMING: 3707000 CPU: 11946.7, 0.00404366/step Wall: 11946.7, 0.00404366/step, 1.45235 hours remaining, 235.226562 MB of memory in use. ENERGY: 3707000 3928.5240 20699.3731 14449.4102 228.6985 -203039.4272 2443.5080 0.0000 0.0000 52026.7031 -109263.2103 298.9982 -161289.9134 -108894.7817 299.8006 47.2850 66.4281 762176.0196 6.4108 6.4984 PRESSURE: 3707200 168.142 18.4069 -180.809 18.4062 107.27 -138.244 -180.809 -138.244 387.088 GPRESSURE: 3707200 252.047 -51.0588 -138.144 14.6477 64.2866 -201.435 -178.255 -17.5967 425.346 PRESSAVG: 3707200 61.3368 -25.4724 -1.13042 -25.4724 -10.2789 -38.191 -1.13038 -38.191 16.7003 GPRESSAVG: 3707200 61.9675 -21.859 0.70831 -25.3079 -10.8043 -37.9719 -2.20364 -37.4352 16.908 TIMING: 3707200 CPU: 11947.5, 0.00405206/step Wall: 11947.5, 0.00405206/step, 1.45514 hours remaining, 235.226562 MB of memory in use. ENERGY: 3707200 3900.0204 20686.0706 14444.1476 233.2894 -203321.3837 2721.7244 0.0000 0.0000 51970.3904 -109365.7409 298.6745 -161336.1313 -109002.3518 300.2343 220.8332 247.2264 759871.2748 22.5861 22.6904 PRESSURE: 3707400 -92.7416 -73.0793 -23.9675 -73.0785 -156.561 -196.581 -23.9675 -196.582 -169.702 GPRESSURE: 3707400 -46.3874 -62.0516 -26.4834 -6.58178 -137.311 -194.96 53.2122 -152.986 -151.067 PRESSAVG: 3707400 24.3514 -17.9523 -6.72816 -17.9523 -48.6036 -39.1311 -6.72813 -39.1311 -20.5447 GPRESSAVG: 3707400 24.106 -21.481 -8.2637 -18.6317 -48.8191 -40.0655 -5.02211 -38.2676 -20.6175 TIMING: 3707400 CPU: 11948.3, 0.00406718/step Wall: 11948.3, 0.00406718/step, 1.46034 hours remaining, 235.226562 MB of memory in use. ENERGY: 3707400 4061.4390 20595.9411 14426.6111 247.0534 -203283.8603 2652.5250 0.0000 0.0000 52068.1319 -109232.1587 299.2363 -161300.2906 -108870.1209 300.2204 -139.6682 -111.5885 761364.7482 -14.9323 -15.1102 PRESSURE: 3707600 377.059 36.4477 107.647 36.4474 74.7494 -12.2271 107.648 -12.2278 238.16 GPRESSURE: 3707600 388.238 71.4639 144.239 -36.7091 126.986 -20.8574 186.369 158.226 249.588 PRESSAVG: 3707600 41.9819 0.861943 32.3766 0.861958 -29.4206 22.6677 32.3766 22.6677 -15.2876 GPRESSAVG: 3707600 40.2368 2.47564 33.4908 1.69377 -29.2921 21.4819 32.1619 25.4504 -13.9839 TIMING: 3707600 CPU: 11949.1, 0.00414278/step Wall: 11949.1, 0.00414278/step, 1.48726 hours remaining, 235.226562 MB of memory in use. ENERGY: 3707600 3962.2148 20687.9665 14472.4205 247.4752 -203331.4437 2738.1767 0.0000 0.0000 52008.1468 -109215.0433 298.8915 -161223.1901 -108843.0685 299.9183 229.9892 254.9376 758886.3925 -0.9087 -1.0131 PRESSURE: 3707800 123.456 -278.325 230.226 -278.325 -310.049 98.3372 230.226 98.3375 -3.74206 GPRESSURE: 3707800 53.9301 -206.014 233.349 -252.267 -205.108 132.482 135.734 61.435 53.8766 PRESSAVG: 3707800 10.1802 -4.54401 3.05145 -4.54402 -30.4039 9.18581 3.0515 9.1858 18.6472 GPRESSAVG: 3707800 10.7286 -2.10771 2.30553 -6.44392 -29.7308 12.1747 0.850394 7.00504 17.5378 TIMING: 3707800 CPU: 11949.9, 0.00405075/step Wall: 11949.9, 0.00405075/step, 1.45399 hours remaining, 235.226562 MB of memory in use. ENERGY: 3707800 3998.6781 20651.2826 14419.4511 259.7630 -202968.3400 2381.0777 0.0000 0.0000 52285.6480 -108972.4396 300.4863 -161258.0876 -108612.1704 300.3886 -63.4450 -32.4337 760515.7560 -0.5255 -0.4881 PRESSURE: 3708000 26.7689 -178.01 38.7412 -178.01 -134.301 98.5724 38.7419 98.572 -175.684 GPRESSURE: 3708000 79.7171 -187.391 -19.0454 -81.9724 -117.572 82.3299 131.395 183.379 -151.479 PRESSAVG: 3708000 31.8139 -47.838 -1.72722 -47.838 -48.7576 18.2731 -1.72728 18.2731 -32.5002 GPRESSAVG: 3708000 31.9314 -49.3877 -1.18932 -47.1143 -49.0135 16.9801 -1.83309 18.1823 -32.5017 TIMING: 3708000 CPU: 11950.7, 0.00405334/step Wall: 11950.7, 0.00405333/step, 1.4547 hours remaining, 235.226562 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: 3708000 4019.9851 20586.0540 14480.2253 261.9907 -203130.6528 2461.6563 0.0000 0.0000 52366.6679 -108954.0736 300.9520 -161320.7415 -108592.1219 301.0418 -94.4055 -63.1114 760603.8376 -16.4813 -16.5280 PRESSURE: 3708200 138.384 -179.709 -241.58 -179.708 -287.386 -106.418 -241.581 -106.417 -254.17 GPRESSURE: 3708200 98.5476 -152.856 -275.496 -78.092 -236.352 -168.866 -75.2699 -17.3462 -174.15 PRESSAVG: 3708200 54.0789 18.4606 17.224 18.4606 -42.9388 61.9554 17.2239 61.9554 -1.56907 GPRESSAVG: 3708200 53.9756 16.8738 16.6843 20.7172 -42.1779 63.6611 19.5697 59.1449 -1.97506 TIMING: 3708200 CPU: 11951.5, 0.00409057/step Wall: 11951.5, 0.00409057/step, 1.46783 hours remaining, 235.226562 MB of memory in use. ENERGY: 3708200 4100.9287 20683.1996 14409.9557 264.7105 -203327.7433 2546.4990 0.0000 0.0000 52245.1871 -109077.2627 300.2538 -161322.4498 -108718.2342 300.5851 -134.3905 -103.9846 759926.1755 3.1903 3.2742 LDB: ============= START OF LOAD BALANCING ============== 11964.1 LDB: ============== END OF LOAD BALANCING =============== 11964.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11964.1 LDB: ============= START OF LOAD BALANCING ============== 11964.5 LDB: Largest compute 7033 load 0.030401 is 15.7% of average load 0.193349 LDB: Average compute 0.004455 is 2.3% of average load 0.193349 LDB: TIME 11964.5 LOAD: AVG 0.193349 MAX 0.212657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.047 MB LDB: TIME 11964.5 LOAD: AVG 0.193349 MAX 0.212657 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: TIME 11964.5 LOAD: AVG 0.193349 MAX 0.212657 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: ============== END OF LOAD BALANCING =============== 11964.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11964.5 PRESSURE: 3708400 67.3382 -107.414 117.253 -107.413 162.577 89.6848 117.253 89.6854 64.7669 GPRESSURE: 3708400 143.492 -73.8788 124.67 -7.30949 290.288 73.9367 146.165 95.9114 -40.6364 PRESSAVG: 3708400 88.8764 -50.6283 1.63606 -50.6283 -52.566 -6.19971 1.63605 -6.19965 7.02176 GPRESSAVG: 3708400 87.0481 -49.0681 1.95497 -54.1036 -52.0298 -8.32503 1.73972 -2.97034 7.58791 TIMING: 3708400 CPU: 11952.4, 0.0041593/step Wall: 11952.4, 0.0041593/step, 1.49226 hours remaining, 235.113281 MB of memory in use. ENERGY: 3708400 4008.2894 20429.6300 14435.2247 258.4367 -203253.2472 2688.9121 0.0000 0.0000 52342.9293 -109089.8250 300.8155 -161432.7543 -108728.6482 300.4671 98.2274 131.0477 760009.3988 14.4441 14.2021 PRESSURE: 3708600 68.8733 -49.8083 -86.9427 -49.8083 -179.992 -47.1467 -86.9428 -47.1457 -230.266 GPRESSURE: 3708600 130.016 -12.2688 12.8228 -135.601 -61.3518 -40.3545 -50.6125 -38.9704 -321.001 PRESSAVG: 3708600 11.4162 -57.7977 44.3331 -57.7977 2.60131 2.73033 44.3331 2.73025 22.407 GPRESSAVG: 3708600 12.8984 -59.3537 44.1832 -56.6728 1.45266 2.61895 43.4934 3.30079 22.1352 TIMING: 3708600 CPU: 11953.2, 0.00405506/step Wall: 11953.2, 0.00405506/step, 1.45464 hours remaining, 235.113281 MB of memory in use. ENERGY: 3708600 3939.3140 20712.5267 14445.5393 240.6019 -202899.4628 2464.5883 0.0000 0.0000 51978.7612 -109118.1312 298.7227 -161096.8924 -108743.8218 299.9568 -113.7950 -84.1124 762472.4911 12.1415 12.1621 PRESSURE: 3708800 114.731 -0.299143 -176.347 -0.298362 330.131 180.609 -176.346 180.608 5.63428 GPRESSURE: 3708800 200.219 -64.8617 -211.426 -87.351 285.926 198.932 -172.853 94.9818 47.8154 PRESSAVG: 3708800 38.6367 -65.6827 -19.2002 -65.6827 -23.9578 60.2929 -19.2002 60.2928 -2.60639 GPRESSAVG: 3708800 38.6894 -65.6535 -19.9428 -65.6695 -24.2761 61.1431 -19.6456 59.4555 -2.8735 TIMING: 3708800 CPU: 11954, 0.00404253/step Wall: 11954, 0.00404253/step, 1.44992 hours remaining, 235.113281 MB of memory in use. ENERGY: 3708800 4077.1866 20486.1597 14415.5862 246.3452 -203570.6596 2749.8354 0.0000 0.0000 52011.5107 -109584.0358 298.9109 -161595.5466 -109224.2648 299.3887 150.1654 177.9866 760309.2324 4.0242 3.8466 PRESSURE: 3709000 -217.937 -86.1703 174.393 -86.1694 -31.6591 -13.2866 174.392 -13.2876 -238.773 GPRESSURE: 3709000 -160.926 -40.5538 265.717 -95.3995 51.4695 -78.9226 212.254 -10.0492 -280.764 PRESSAVG: 3709000 66.825 -21.6013 -34.084 -21.6013 -40.4544 59.926 -34.084 59.926 0.550481 GPRESSAVG: 3709000 66.4976 -21.2293 -32.8176 -22.0178 -39.223 61.8441 -33.9295 58.3751 -0.661693 TIMING: 3709000 CPU: 11954.8, 0.00404912/step Wall: 11954.8, 0.00404912/step, 1.45206 hours remaining, 235.113281 MB of memory in use. ENERGY: 3709000 4095.8934 20566.8038 14487.2754 249.8858 -203236.0817 2286.7035 0.0000 0.0000 52020.7949 -109528.7249 298.9642 -161549.5198 -109171.9682 298.9716 -162.7899 -130.0732 760252.4589 8.9737 8.8710 PRESSURE: 3709200 111.025 147.215 -66.6311 147.214 -103.679 -135.55 -66.6303 -135.549 75.3706 GPRESSURE: 3709200 223.67 251.538 -6.32257 129.406 -85.598 -61.5982 -66.6478 -132.633 32.3953 PRESSAVG: 3709200 39.9488 -24.2428 -20.8688 -24.2429 17.9949 -5.01594 -20.8688 -5.01594 -26.1632 GPRESSAVG: 3709200 40.7398 -24.7764 -20.634 -23.0964 16.2334 -4.54325 -20.7672 -4.70815 -25.0997 TIMING: 3709200 CPU: 11955.6, 0.00402107/step Wall: 11955.6, 0.00402107/step, 1.44178 hours remaining, 235.113281 MB of memory in use. ENERGY: 3709200 3891.8182 20379.3242 14463.5985 252.4697 -203320.0318 2558.7911 0.0000 0.0000 52059.1216 -109714.9083 299.1845 -161774.0299 -109347.3942 299.3315 27.5721 56.8224 760089.7527 10.5935 10.6245 PRESSURE: 3709400 76.6175 133.988 -175.233 133.988 -109.402 69.9702 -175.234 69.9689 -60.3131 GPRESSURE: 3709400 43.2868 34.2983 -176.659 39.5392 -35.1247 142.36 -335.873 18.6404 -7.9133 PRESSAVG: 3709400 26.562 -47.5426 5.19105 -47.5427 31.1965 27.969 5.19108 27.9691 20.881 GPRESSAVG: 3709400 26.5919 -46.9788 4.49961 -46.0766 30.8793 28.034 3.82006 27.6878 21.3619 TIMING: 3709400 CPU: 11956.4, 0.0040411/step Wall: 11956.4, 0.0040411/step, 1.44873 hours remaining, 235.113281 MB of memory in use. ENERGY: 3709400 4042.0298 20517.2030 14446.0562 264.0225 -203174.3654 2286.8799 0.0000 0.0000 51949.2874 -109668.8866 298.5533 -161618.1740 -109309.1946 299.1753 -31.0324 0.0829 759410.4050 26.2132 26.2777 PRESSURE: 3709600 -317.923 -303.832 -235.392 -303.832 -478.886 275.449 -235.392 275.45 -459.018 GPRESSURE: 3709600 -214.382 -146.184 -239.754 -345.006 -435.448 227.61 -254.093 178.942 -517.583 PRESSAVG: 3709600 -23.9695 -5.93551 25.4602 -5.93555 -40.219 17.7423 25.4601 17.7422 -13.7929 GPRESSAVG: 3709600 -24.4997 -6.91096 25.5513 -7.94287 -39.8321 15.7866 28.0932 20.4043 -13.773 TIMING: 3709600 CPU: 11957.2, 0.00402908/step Wall: 11957.2, 0.00402908/step, 1.4442 hours remaining, 235.113281 MB of memory in use. ENERGY: 3709600 4037.1917 20494.3584 14470.3720 245.5678 -203305.6314 2360.3547 0.0000 0.0000 51965.0052 -109732.7817 298.6436 -161697.7869 -109374.3770 299.3863 -418.6090 -389.1378 759814.4420 -25.9938 -26.0349 PRESSURE: 3709800 -168.377 68.9001 39.1673 68.9012 -277.126 90.141 39.1675 90.1405 75.649 GPRESSURE: 3709800 -136.9 76.9573 1.28137 112.836 -273.092 177.87 -113.037 12.1467 85.4822 PRESSAVG: 3709800 22.9899 -69.1232 -73.771 -69.1231 -44.3639 1.10333 -73.771 1.10342 12.5774 GPRESSAVG: 3709800 22.6753 -68.2218 -73.4499 -68.8992 -44.5776 2.07145 -75.4957 -1.94201 12.5639 TIMING: 3709800 CPU: 11958, 0.00401925/step Wall: 11958, 0.00401925/step, 1.44046 hours remaining, 235.113281 MB of memory in use. ENERGY: 3709800 3931.9561 20557.5201 14398.8618 265.8152 -203341.9783 2410.7198 0.0000 0.0000 52037.8043 -109739.3011 299.0620 -161777.1054 -109379.8472 299.1239 -123.2847 -108.1699 760649.9159 -2.9322 -3.1128 PRESSURE: 3710000 -9.55442 -5.15508 78.5415 -5.15508 76.9596 -279.316 78.542 -279.316 78.6985 GPRESSURE: 3710000 -51.8095 -56.4229 111.318 89.8667 128.321 -224.444 -28.074 -344.553 140.54 PRESSAVG: 3710000 22.0877 15.2158 -40.8959 15.2158 10.0466 -67.3311 -40.8958 -67.3311 0.420636 GPRESSAVG: 3710000 21.1668 16.6347 -39.8721 16.224 9.49298 -67.9643 -41.6739 -65.1451 1.68044 TIMING: 3710000 CPU: 11958.8, 0.00400695/step Wall: 11958.8, 0.00400695/step, 1.43582 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3710000 4028.2783 20575.2648 14521.2398 229.0284 -203455.9609 2549.6265 0.0000 0.0000 51785.2506 -109767.2726 297.6105 -161552.5232 -109417.1826 298.5628 48.7012 72.3503 760610.8810 10.8516 10.7801 PRESSURE: 3710200 21.2541 36.7145 -183.923 36.7146 -54.5762 -76.058 -183.923 -76.0578 174.014 GPRESSURE: 3710200 107.128 31.6391 -60.5981 -23.179 -95.7649 -43.8494 -14.9772 -7.48641 211.846 PRESSAVG: 3710200 69.4757 -35.6167 -23.3684 -35.6166 -61.9191 5.03537 -23.3684 5.03536 30.733 GPRESSAVG: 3710200 70.3535 -35.0432 -24.1217 -37.258 -61.8592 5.46709 -22.0117 5.93332 29.9249 TIMING: 3710200 CPU: 11959.6, 0.00402031/step Wall: 11959.6, 0.00402031/step, 1.44039 hours remaining, 235.113281 MB of memory in use. ENERGY: 3710200 3931.8676 20540.4867 14412.0663 231.0713 -203042.5833 2407.5549 0.0000 0.0000 51942.2792 -109577.2572 298.5130 -161519.5364 -109216.0656 298.6675 46.8974 74.4032 762254.5393 12.7632 12.8064 PRESSURE: 3710400 -432.069 -176.102 123.512 -176.102 -244.946 90.0232 123.512 90.0228 146.789 GPRESSURE: 3710400 -280.207 -273.191 105.701 -160.016 -241.49 83.4712 84.3314 184.699 82.3153 PRESSAVG: 3710400 12.8505 -43.1964 -23.1566 -43.1964 -51.7369 9.44116 -23.1565 9.44112 6.78982 GPRESSAVG: 3710400 13.9366 -45.7776 -22.2766 -43.5838 -50.474 7.89727 -23.737 9.46484 4.96466 TIMING: 3710400 CPU: 11960.4, 0.00401308/step Wall: 11960.4, 0.00401308/step, 1.43758 hours remaining, 235.113281 MB of memory in use. ENERGY: 3710400 3959.1843 20595.4482 14484.0924 245.0479 -202860.3459 2088.8283 0.0000 0.0000 51913.8450 -109573.9000 298.3496 -161487.7450 -109209.0744 299.0064 -176.7418 -146.4603 760456.0999 -10.6989 -10.5243 PRESSURE: 3710600 -46.6408 15.0539 -162.867 15.0549 -185.073 -136.394 -162.867 -136.395 -3.37485 GPRESSURE: 3710600 -46.2723 -37.1687 -238.588 -64.5548 -127.511 -105.766 -90.7551 -295.964 19.1434 PRESSAVG: 3710600 -18.5422 -30.2684 -21.2605 -30.2684 -13.9264 36.34 -21.2606 36.3401 2.99024 GPRESSAVG: 3710600 -19.2156 -30.0117 -21.2821 -28.8206 -13.6046 37.7946 -23.9067 34.2575 3.74867 TIMING: 3710600 CPU: 11961.2, 0.00404034/step Wall: 11961.2, 0.00404034/step, 1.44711 hours remaining, 235.113281 MB of memory in use. ENERGY: 3710600 4032.3479 20466.0570 14410.6294 234.1004 -203407.0675 2531.2831 0.0000 0.0000 52453.0086 -109279.6411 301.4482 -161732.6497 -108917.6782 299.5502 -78.3629 -51.5465 761615.6085 -9.8261 -9.6905 PRESSURE: 3710800 40.7893 -18.7976 92.3221 -18.7974 -127.328 26.6486 92.3219 26.6484 -44.6339 GPRESSURE: 3710800 116.868 -79.3751 110.655 8.02902 -136.46 -28.2909 103.972 138.129 -22.9063 PRESSAVG: 3710800 4.23587 -36.1569 -10.1171 -36.1568 -36.2585 7.66021 -10.1171 7.66019 -21.9746 GPRESSAVG: 3710800 3.53069 -35.0796 -12.4286 -37.4795 -37.501 6.3695 -7.96485 8.05528 -20.0743 TIMING: 3710800 CPU: 11962.1, 0.00405128/step Wall: 11962.1, 0.00405128/step, 1.45081 hours remaining, 235.113281 MB of memory in use. ENERGY: 3710800 3941.4428 20587.0699 14464.3421 229.7004 -202925.9299 2455.8134 0.0000 0.0000 52242.1893 -109005.3719 300.2366 -161247.5612 -108631.6233 300.3427 -43.7243 -14.1661 760314.7446 -17.9991 -18.0149 PRESSURE: 3711000 15.3328 -22.467 -31.9332 -22.4675 147.862 -73.4059 -31.9328 -73.4055 136.763 GPRESSURE: 3711000 9.68019 93.1937 -61.2212 161.229 206.345 39.4801 4.01708 -73.4924 157.015 PRESSAVG: 3711000 25.0879 -62.7315 -15.2001 -62.7315 -26.4035 -30.626 -15.2001 -30.626 11.738 GPRESSAVG: 3711000 25.717 -65.7073 -13.1495 -59.5835 -25.6269 -28.3581 -16.0985 -29.516 9.75788 TIMING: 3711000 CPU: 11962.9, 0.0040437/step Wall: 11962.9, 0.0040437/step, 1.44787 hours remaining, 235.113281 MB of memory in use. ENERGY: 3711000 3958.9645 20590.9275 14391.0422 258.9213 -202944.9663 2552.0709 0.0000 0.0000 52221.7577 -108971.2822 300.1192 -161193.0398 -108608.7154 300.5559 99.9859 124.3467 760727.4792 3.4741 3.2826 PRESSURE: 3711200 -96.9844 -125.788 217.448 -125.789 -103.121 1.25653 217.448 1.25562 -228.613 GPRESSURE: 3711200 -145.11 -181.267 156.739 -62.6393 -40.9192 -32.3254 185.438 68.7877 -169.877 PRESSAVG: 3711200 25.2204 -18.0522 39.6941 -18.0522 38.5964 8.56018 39.6941 8.56019 -8.98258 GPRESSAVG: 3711200 24.3919 -17.8778 38.9486 -18.5681 38.0791 7.94474 39.9181 8.64186 -8.39483 TIMING: 3711200 CPU: 11963.7, 0.00403714/step Wall: 11963.7, 0.00403714/step, 1.4453 hours remaining, 235.113281 MB of memory in use. ENERGY: 3711200 3981.3435 20771.3252 14570.0844 261.9197 -203216.3615 2383.0836 0.0000 0.0000 51989.6049 -109259.0003 298.7850 -161248.6051 -108893.8676 300.4041 -142.9061 -118.6354 759828.7145 18.2781 18.0254 PRESSURE: 3711400 -75.7381 114.192 47.5125 114.192 -58.2417 51.3052 47.5129 51.3056 174.177 GPRESSURE: 3711400 -72.0981 -38.343 71.4574 -27.0438 28.4785 50.9129 -120.082 47.9341 176.722 PRESSAVG: 3711400 -1.36337 -11.6975 -14.4465 -11.6976 -26.397 17.1118 -14.4464 17.1118 1.1936 GPRESSAVG: 3711400 -0.299245 -12.7057 -16.0962 -12.6975 -26.9547 18.1726 -11.8241 17.4973 1.42746 TIMING: 3711400 CPU: 11964.5, 0.00408481/step Wall: 11964.5, 0.00408481/step, 1.46214 hours remaining, 235.113281 MB of memory in use. ENERGY: 3711400 4038.5345 20489.9212 14429.7281 269.5901 -203587.0295 2738.8804 0.0000 0.0000 52218.6091 -109401.7662 300.1011 -161620.3753 -109036.5046 300.0494 13.3991 44.3676 760018.5465 -8.8556 -8.6088 PRESSURE: 3711600 68.3491 120.093 -47.5376 120.093 -309.081 51.1808 -47.5377 51.1819 -58.1463 GPRESSURE: 3711600 144.674 93.6525 -56.3311 84.1056 -326.411 -91.1729 -0.299945 46.8611 -39.3352 PRESSAVG: 3711600 23.903 -50.7452 27.6894 -50.7452 9.01003 43.1706 27.6894 43.1705 7.37322 GPRESSAVG: 3711600 22.2693 -50.6756 27.8402 -54.2378 9.45171 43.4076 27.0379 42.4802 8.43848 TIMING: 3711600 CPU: 11965.3, 0.00402723/step Wall: 11965.3, 0.00402723/step, 1.4413 hours remaining, 235.113281 MB of memory in use. ENERGY: 3711600 3946.4679 20584.4949 14540.2447 247.9135 -203261.0891 2386.1804 0.0000 0.0000 52211.7275 -109344.0602 300.0615 -161555.7878 -108979.8803 299.5688 -99.6260 -73.6908 759965.0010 13.4287 13.3865 PRESSURE: 3711800 -170.389 42.0501 105.854 42.0506 -268.855 -93.8105 105.854 -93.8106 -230.346 GPRESSURE: 3711800 -124.449 160.962 15.7265 -28.9151 -181.14 -55.1853 204.181 -101.747 -275.9 PRESSAVG: 3711800 -12.5223 -17.7866 -58.0602 -17.7867 -2.23737 -32.3978 -58.0602 -32.3978 19.3295 GPRESSAVG: 3711800 -11.2571 -14.9682 -56.2806 -14.528 -3.32244 -33.74 -58.251 -31.2164 18.5113 TIMING: 3711800 CPU: 11966.1, 0.00403134/step Wall: 11966.1, 0.00403134/step, 1.44255 hours remaining, 235.113281 MB of memory in use. ENERGY: 3711800 4002.4813 20545.9234 14494.0701 248.7233 -202436.2844 1982.6529 0.0000 0.0000 51924.8249 -109237.6086 298.4127 -161162.4335 -108865.6684 299.9581 -223.1967 -193.8300 760868.7931 1.5233 1.3106 PRESSURE: 3712000 -96.2671 11.7288 -300.978 11.7288 54.324 211.983 -300.978 211.982 -194.753 GPRESSURE: 3712000 -69.6422 18.5922 -388.723 63.278 97.5484 179.371 -245.484 -1.06309 -165.799 PRESSAVG: 3712000 -8.58236 -23.9783 -41.086 -23.9783 7.24132 -5.32941 -41.0859 -5.32939 3.55399 GPRESSAVG: 3712000 -8.3467 -23.8011 -42.3921 -22.5513 8.21982 -4.81143 -40.6267 -6.95135 2.19862 TIMING: 3712000 CPU: 11966.9, 0.00404534/step Wall: 11966.9, 0.00404534/step, 1.44733 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3712000 3903.1906 20598.6359 14452.0545 257.3060 -203294.5835 2488.5680 0.0000 0.0000 52222.8086 -109372.0198 300.1252 -161594.8285 -109003.5170 299.7784 -78.8986 -45.9644 760677.9418 0.7376 0.6906 PRESSURE: 3712200 -75.4073 -144.478 134.287 -144.478 -130.661 -158.738 134.288 -158.737 121.462 GPRESSURE: 3712200 -107.048 11.6117 171.993 15.121 -52.7681 -160.604 167.149 -110.75 152.572 PRESSAVG: 3712200 -18.3213 -14.6781 58.5633 -14.6781 -29.971 -49.5057 58.5632 -49.5058 9.8384 GPRESSAVG: 3712200 -19.3336 -13.6146 60.5788 -17.4547 -30.4224 -50.2249 56.8738 -48.5113 11.3826 TIMING: 3712200 CPU: 11967.7, 0.00405624/step Wall: 11967.7, 0.00405624/step, 1.45101 hours remaining, 235.113281 MB of memory in use. ENERGY: 3712200 3909.4539 20476.1693 14587.7811 262.7139 -203146.9509 2432.7725 0.0000 0.0000 52114.3244 -109363.7357 299.5017 -161478.0602 -108999.0455 299.9122 -28.2020 -2.4147 761503.8949 -12.8180 -12.7911 LDB: ============= START OF LOAD BALANCING ============== 11980.2 LDB: ============== END OF LOAD BALANCING =============== 11980.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11980.2 LDB: ============= START OF LOAD BALANCING ============== 11980.6 LDB: Largest compute 7033 load 0.030720 is 15.9% of average load 0.193328 LDB: Average compute 0.004462 is 2.3% of average load 0.193328 LDB: TIME 11980.6 LOAD: AVG 0.193328 MAX 0.216976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.691 MB LDB: TIME 11980.6 LOAD: AVG 0.193328 MAX 0.216976 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: TIME 11980.6 LOAD: AVG 0.193328 MAX 0.21285 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: ============== END OF LOAD BALANCING =============== 11980.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11980.6 PRESSURE: 3712400 55.7741 -41.7416 -108.792 -41.741 -124.671 -113.596 -108.792 -113.595 273.691 GPRESSURE: 3712400 148.147 31.2054 -145.929 -57.4854 -111.794 -133.314 -115.92 -72.5343 237.093 PRESSAVG: 3712400 -9.15383 -38.6182 -9.01434 -38.6182 47.9766 -9.92225 -9.01439 -9.9222 18.1186 GPRESSAVG: 3712400 -8.52619 -39.0899 -10.3148 -37.5569 47.4125 -9.45087 -9.20058 -10.5303 18.0562 TIMING: 3712400 CPU: 11968.5, 0.0041167/step Wall: 11968.5, 0.0041167/step, 1.47241 hours remaining, 233.828125 MB of memory in use. ENERGY: 3712400 3909.2895 20635.1760 14487.5415 282.2566 -203316.1590 2539.3173 0.0000 0.0000 51916.2947 -109546.2834 298.3637 -161462.5781 -109179.8455 299.6207 68.2648 91.1484 762124.8020 18.9805 18.9808 PRESSURE: 3712600 188.638 -24.9597 57.6281 -24.9591 -148.228 217.633 57.6278 217.633 -328.114 GPRESSURE: 3712600 184.616 -50.0254 94.6744 -6.64375 -66.4625 223.162 99.4996 210.1 -328.165 PRESSAVG: 3712600 -15.2339 -45.7897 -2.02907 -45.7897 -1.55889 12.3226 -2.02905 12.3225 -9.694 GPRESSAVG: 3712600 -14.9184 -47.6087 -0.976327 -43.9616 -2.61928 10.6426 -0.616223 13.7068 -9.01439 TIMING: 3712600 CPU: 11969.4, 0.00403843/step Wall: 11969.4, 0.00403843/step, 1.44419 hours remaining, 233.828125 MB of memory in use. ENERGY: 3712600 3991.2585 20409.0984 14434.0245 237.8380 -203263.5234 2453.8404 0.0000 0.0000 52207.4189 -109530.0448 300.0368 -161737.4637 -109171.2844 299.0517 -95.9015 -70.0040 760939.8231 -8.8289 -8.8507 PRESSURE: 3712800 3.70965 61.9433 256.775 61.9444 51.0486 -228.856 256.775 -228.855 -80.9718 GPRESSURE: 3712800 -51.2455 104.662 208.264 1.44334 141.268 -320.215 286.374 -194.637 -38.1406 PRESSAVG: 3712800 -24.2138 -68.6057 1.77135 -68.6057 -9.83003 28.738 1.77133 28.7381 6.22246 GPRESSAVG: 3712800 -25.168 -67.4168 -0.240894 -69.2994 -8.58728 29.3517 1.55863 26.9003 5.50861 TIMING: 3712800 CPU: 11970.2, 0.00403647/step Wall: 11970.2, 0.00403647/step, 1.44326 hours remaining, 233.828125 MB of memory in use. ENERGY: 3712800 4004.6085 20330.0299 14418.2181 249.8448 -203106.5375 2568.0827 0.0000 0.0000 51965.5370 -109570.2167 298.6467 -161535.7536 -109209.5906 299.2111 -8.7379 17.2941 760582.7229 -9.2738 -9.4156 PRESSURE: 3713000 75.0142 -8.5499 203.098 -8.55002 253.308 -188.826 203.099 -188.827 -73.651 GPRESSURE: 3713000 76.0876 1.86738 236.33 -67.3352 241.567 -101.012 86.7303 -304.672 16.2203 PRESSAVG: 3713000 14.5506 20.7429 5.7556 20.7428 -41.6586 -28.0108 5.75558 -28.0108 -0.805245 GPRESSAVG: 3713000 14.1863 19.8956 6.72025 19.9296 -42.6044 -28.5711 5.93113 -26.7883 -0.229612 TIMING: 3713000 CPU: 11971, 0.00402594/step Wall: 11971, 0.00402594/step, 1.43927 hours remaining, 233.828125 MB of memory in use. ENERGY: 3713000 3999.0598 20539.8641 14515.8576 263.9093 -202960.1571 2405.5948 0.0000 0.0000 51779.5290 -109456.3427 297.5777 -161235.8717 -109095.6043 299.2646 84.8904 111.2916 759964.0543 -9.3044 -9.5492 PRESSURE: 3713200 40.1665 -5.02831 -165.436 -5.02752 139.058 -26.7649 -165.436 -26.7645 121.534 GPRESSURE: 3713200 102.018 -30.1671 -228.428 29.7745 106.085 136.952 -81.6838 -56.9602 165.756 PRESSAVG: 3713200 26.6322 -27.9579 -16.7928 -27.9578 -52.5525 10.6128 -16.7928 10.6128 10.2185 GPRESSAVG: 3713200 27.676 -26.7543 -16.982 -26.8023 -52.3034 13.5603 -15.3371 9.97485 8.87266 TIMING: 3713200 CPU: 11971.8, 0.00400465/step Wall: 11971.8, 0.00400465/step, 1.43144 hours remaining, 233.828125 MB of memory in use. ENERGY: 3713200 3980.1007 20513.2832 14502.9585 225.3801 -203245.4739 2291.5481 0.0000 0.0000 52212.2014 -109520.0019 300.0642 -161732.2033 -109151.5430 299.2250 100.2529 124.6199 758853.7659 -5.2339 -5.2516 PRESSURE: 3713400 -119.555 -36.9558 -97.9027 -36.9562 -243.641 39.5771 -97.9031 39.5768 -25.2224 GPRESSURE: 3713400 -120.628 -64.9759 -85.2965 -12.2571 -191.176 42.5127 -66.2488 -51.1393 7.55021 PRESSAVG: 3713400 71.4361 26.0711 -20.6266 26.0712 -41.5272 -36.7921 -20.6265 -36.792 -8.19674 GPRESSAVG: 3713400 70.6923 24.0962 -21.0492 26.8045 -41.4992 -39.6249 -22.3132 -36.1829 -7.75521 TIMING: 3713400 CPU: 11972.6, 0.00403066/step Wall: 11972.6, 0.00403066/step, 1.44051 hours remaining, 233.812500 MB of memory in use. ENERGY: 3713400 3970.0497 20461.1911 14423.0746 269.9677 -202987.3337 2098.8924 0.0000 0.0000 52092.2339 -109671.9243 299.3748 -161764.1582 -109307.3467 298.7477 -129.4729 -101.4178 760948.0959 7.2374 7.1460 PRESSURE: 3713600 -309.229 -112.605 -76.4434 -112.605 -207.324 67.1497 -76.4434 67.1503 303.852 GPRESSURE: 3713600 -219.289 36.4474 -47.5345 29.5493 -205.687 50.2983 -131.848 -9.60007 310.977 PRESSAVG: 3713600 24.6822 -35.4151 -54.6317 -35.4151 -26.951 -48.8592 -54.6318 -48.8592 -18.0622 GPRESSAVG: 3713600 25.2018 -32.778 -54.463 -36.3729 -27.2799 -49.7398 -55.0218 -48.7451 -18.3225 TIMING: 3713600 CPU: 11973.4, 0.00404298/step Wall: 11973.4, 0.00404298/step, 1.44469 hours remaining, 233.812500 MB of memory in use. ENERGY: 3713600 4034.2602 20502.7410 14360.0603 252.7590 -202897.9872 2141.1289 0.0000 0.0000 51778.4054 -109828.6325 297.5712 -161607.0379 -109466.2615 298.7014 -70.9003 -37.9996 759514.2887 -6.7770 -6.8002 PRESSURE: 3713800 96.4969 -90.5837 -63.0714 -90.5839 365.451 81.9012 -63.0716 81.9021 -291.195 GPRESSURE: 3713800 185.228 -106.229 -4.07268 -78.9329 330.427 94.4643 9.52134 152.989 -272.316 PRESSAVG: 3713800 29.0223 -37.455 -74.4616 -37.455 -11.9628 9.32685 -74.4616 9.32686 -0.692455 GPRESSAVG: 3713800 27.6059 -37.8291 -73.6194 -38.7684 -10.9216 10.9586 -74.6788 8.41508 -1.1856 TIMING: 3713800 CPU: 11974.2, 0.00401849/step Wall: 11974.2, 0.00401849/step, 1.43572 hours remaining, 233.828125 MB of memory in use. ENERGY: 3713800 4006.6035 20478.5447 14363.9734 252.6121 -203467.1032 2395.6247 0.0000 0.0000 52192.8098 -109776.9350 299.9528 -161969.7448 -109406.2399 298.8535 56.9174 81.1130 758408.9051 5.4557 5.1662 PRESSURE: 3714000 -66.0977 6.00371 -199.586 6.00364 -26.6326 -151.7 -199.585 -151.701 105.904 GPRESSURE: 3714000 -30.1928 90.9845 -175.241 59.5644 -59.4556 -112.919 -253.616 -81.3519 203.264 PRESSAVG: 3714000 34.6105 -41.5627 -46.1123 -41.5627 -56.9642 25.5112 -46.1123 25.5112 1.87681 GPRESSAVG: 3714000 34.2585 -40.7135 -47.3456 -41.3327 -58.4199 24.1558 -44.4227 26.9695 3.72297 TIMING: 3714000 CPU: 11975, 0.00404093/step Wall: 11975, 0.00404093/step, 1.44351 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3714000 3969.1286 20564.5725 14440.8617 256.8512 -203740.3094 2718.2864 0.0000 0.0000 51838.7726 -109951.8363 297.9181 -161790.6089 -109598.6041 298.5659 4.3912 37.8718 759743.8284 -6.8256 -6.8128 PRESSURE: 3714200 44.7806 -152.265 -27.4348 -152.266 -135.095 -236.018 -27.4356 -236.018 322.661 GPRESSURE: 3714200 62.1499 -81.4014 -2.32522 -110.916 -33.4008 -189.565 -30.9029 -235.82 297.619 PRESSAVG: 3714200 -7.8214 -66.5461 -0.948902 -66.5461 -18.4088 14.7943 -0.948946 14.7943 11.5745 GPRESSAVG: 3714200 -6.88355 -68.13 -0.178909 -66.3135 -17.2471 17.0801 -0.0566456 15.867 9.83696 TIMING: 3714200 CPU: 11975.8, 0.0040615/step Wall: 11975.8, 0.0040615/step, 1.45063 hours remaining, 233.828125 MB of memory in use. ENERGY: 3714200 3917.8543 20401.2512 14492.6217 248.7652 -203861.2005 2611.2439 0.0000 0.0000 52112.3499 -110077.1142 299.4904 -162189.4641 -109708.1458 298.2034 77.4487 108.7893 758543.9870 -4.8852 -4.7646 PRESSURE: 3714400 -122.909 7.08963 183.034 7.08981 -91.5134 81.139 183.035 81.1393 571.713 GPRESSURE: 3714400 -94.0307 107.616 145.234 -150.616 -8.89997 66.6538 57.0358 -34.1895 573.078 PRESSAVG: 3714400 6.4535 -68.8871 -61.6282 -68.8871 -5.40887 -19.9853 -61.6282 -19.9854 20.091 GPRESSAVG: 3714400 6.44335 -67.5799 -61.2001 -69.3401 -6.80009 -21.7864 -66.0444 -20.8998 21.4266 TIMING: 3714400 CPU: 11976.6, 0.00402403/step Wall: 11976.6, 0.00402403/step, 1.43703 hours remaining, 233.828125 MB of memory in use. ENERGY: 3714400 3988.2154 20384.2358 14425.5491 255.1879 -203263.8056 2372.4942 0.0000 0.0000 52138.6234 -109699.4998 299.6414 -161838.1232 -109325.3677 298.8396 119.0968 156.7157 759224.8083 7.0452 7.0233 PRESSURE: 3714600 53.0608 18.5743 179.957 18.5745 -10.8287 -15.8772 179.957 -15.8778 314.078 GPRESSURE: 3714600 93.1917 125.201 124.016 -42.379 68.9229 -17.3197 160.265 -28.8833 274.944 PRESSAVG: 3714600 45.1393 -20.4994 -54.4274 -20.4994 -32.5665 2.30675 -54.4274 2.30675 -4.19014 GPRESSAVG: 3714600 45.0111 -20.6201 -55.0836 -18.6836 -30.3616 2.07739 -51.2053 0.407345 -6.53632 TIMING: 3714600 CPU: 11977.4, 0.00406659/step Wall: 11977.4, 0.00406659/step, 1.452 hours remaining, 233.828125 MB of memory in use. ENERGY: 3714600 3966.2087 20385.0151 14459.2989 225.9553 -203273.5734 2509.5637 0.0000 0.0000 52053.5799 -109673.9518 299.1526 -161727.5317 -109303.7912 299.1038 118.7700 145.6863 759920.2162 2.7942 2.7044 PRESSURE: 3714800 14.7496 102.816 -216.615 102.817 -326.237 42.3296 -216.616 42.3301 87.2547 GPRESSURE: 3714800 -13.8528 -59.8919 -206.116 0.0849646 -158.977 88.7915 -142.605 3.40736 30.456 PRESSAVG: 3714800 32.1785 -42.7254 21.4025 -42.7254 -7.83767 -24.1285 21.4025 -24.1286 3.16305 GPRESSAVG: 3714800 30.5581 -43.7694 21.4116 -44.7223 -7.33939 -22.9791 21.1915 -22.3654 4.67666 TIMING: 3714800 CPU: 11978.2, 0.00403227/step Wall: 11978.2, 0.00403227/step, 1.43952 hours remaining, 233.828125 MB of memory in use. ENERGY: 3714800 3971.8640 20624.6202 14394.4547 238.0034 -203267.0274 2405.1693 0.0000 0.0000 51945.9610 -109686.9547 298.5342 -161632.9158 -109328.0538 299.2502 -74.7441 -47.4578 760644.1925 9.1680 9.2985 PRESSURE: 3715000 -118.168 -38.8096 -232.105 -38.8101 -65.2534 -144.289 -232.105 -144.289 -8.66877 GPRESSURE: 3715000 -90.568 -36.336 -289.677 -25.0833 -38.168 -96.1423 -243.014 -53.5301 21.3668 PRESSAVG: 3715000 27.1788 17.2346 -42.4142 17.2346 -46.587 5.64823 -42.4142 5.64818 22.6514 GPRESSAVG: 3715000 28.8864 15.9008 -43.3572 18.2271 -48.0075 5.52125 -41.3214 3.63089 22.5202 TIMING: 3715000 CPU: 11979, 0.00404431/step Wall: 11979, 0.00404431/step, 1.4436 hours remaining, 233.828125 MB of memory in use. ENERGY: 3715000 3941.6412 20477.6936 14506.5332 249.4222 -203395.0479 2425.2161 0.0000 0.0000 52036.2302 -109758.3114 299.0529 -161794.5416 -109395.0918 299.0027 -64.0302 -35.7897 761322.4415 1.0811 1.1331 PRESSURE: 3715200 -260.378 -250.148 94.9785 -250.148 185.418 117.747 94.9788 117.746 233.684 GPRESSURE: 3715200 -168.605 -263.065 23.6926 -287.183 167.007 47.7472 192.899 91.9824 239.721 PRESSAVG: 3715200 3.08637 -47.8464 -21.2095 -47.8464 -0.335038 6.55516 -21.2094 6.55514 16.133 GPRESSAVG: 3715200 2.9418 -47.6905 -21.074 -47.0978 0.0872995 6.43475 -19.1221 6.76419 16.3909 TIMING: 3715200 CPU: 11979.8, 0.00403731/step Wall: 11979.8, 0.00403731/step, 1.44087 hours remaining, 233.828125 MB of memory in use. ENERGY: 3715200 4001.6985 20404.7152 14457.4563 238.1511 -203396.0111 2540.3058 0.0000 0.0000 52107.8594 -109645.8248 299.4646 -161753.6842 -109277.9232 298.3685 52.9081 79.3741 761090.8229 6.2948 6.4733 PRESSURE: 3715400 106.372 -213.607 -172.751 -213.608 -229.719 -123.16 -172.751 -123.162 67.9963 GPRESSURE: 3715400 85.3197 -157.755 -133.843 -115.617 -95.4389 1.55994 -144.899 -150.656 38.4179 PRESSAVG: 3715400 -35.2823 -83.2204 -42.7138 -83.2204 47.9426 5.4526 -42.7138 5.45271 -1.4887 GPRESSAVG: 3715400 -34.8999 -84.1393 -42.0692 -83.4553 46.7785 5.31054 -46.2298 6.73011 -0.637869 TIMING: 3715400 CPU: 11980.6, 0.00399842/step Wall: 11980.6, 0.00399842/step, 1.42677 hours remaining, 233.828125 MB of memory in use. ENERGY: 3715400 4071.6932 20388.3590 14510.3106 256.5063 -203621.5561 2673.2386 0.0000 0.0000 51928.3801 -109793.0683 298.4331 -161721.4484 -109426.1723 298.9202 -18.4502 9.4329 761396.5865 3.7238 3.7469 PRESSURE: 3715600 94.7672 -1.68218 133.197 -1.68217 -76.7519 -71.3873 133.197 -71.3879 -36.2783 GPRESSURE: 3715600 60.2779 17.9223 154.811 -61.1206 32.2701 -80.1568 37.2192 -14.0762 -22.353 PRESSAVG: 3715600 -8.79237 3.99832 3.68785 3.99842 -23.2686 22.0788 3.68784 22.0789 40.7266 GPRESSAVG: 3715600 -10.1087 6.97555 4.29451 1.57524 -20.9513 22.8643 2.40728 21.9312 39.9432 TIMING: 3715600 CPU: 11981.4, 0.00400767/step Wall: 11981.4, 0.00400767/step, 1.42985 hours remaining, 233.828125 MB of memory in use. ENERGY: 3715600 3992.4414 20409.3405 14397.5657 255.6877 -203183.0011 2497.3959 0.0000 0.0000 51644.4907 -109986.0793 296.8016 -161630.5700 -109627.6078 298.1718 -6.0877 23.3983 763985.5897 2.8885 2.9610 PRESSURE: 3715800 -373.872 -186.124 64.8883 -186.123 -167.194 7.31888 64.8883 7.31975 86.735 GPRESSURE: 3715800 -258.534 -36.0265 105.831 -81.0551 -197.936 198.127 179.048 -26.883 100.256 PRESSAVG: 3715800 10.3896 -6.5079 13.4712 -6.50788 -2.74565 3.69069 13.4712 3.69073 3.53928 GPRESSAVG: 3715800 10.3297 -8.15372 12.0152 -4.19108 -4.16632 3.26126 17.7864 2.65029 4.38005 TIMING: 3715800 CPU: 11982.2, 0.00401092/step Wall: 11982.2, 0.00401092/step, 1.43079 hours remaining, 233.828125 MB of memory in use. ENERGY: 3715800 3977.9208 20364.3413 14430.0187 248.4436 -203236.7776 2432.6102 0.0000 0.0000 51848.8562 -109934.5869 297.9761 -161783.4431 -109572.2017 298.0729 -151.4439 -118.7380 762820.3798 3.7277 3.5145 PRESSURE: 3716000 -31.2671 -7.1938 31.631 -7.19336 -142.323 135.082 31.6316 135.081 -249.966 GPRESSURE: 3716000 6.1255 2.98426 -64.8726 -35.1086 -50.1932 69.2683 41.7025 189.925 -261.441 PRESSAVG: 3716000 -16.4939 -55.666 -40.927 -55.666 -4.79159 13.9734 -40.927 13.9734 13.2315 GPRESSAVG: 3716000 -15.7284 -54.7148 -40.7471 -57.4082 -4.72082 12.8243 -42.1456 16.9404 12.6436 TIMING: 3716000 CPU: 11983, 0.00399431/step Wall: 11983, 0.00399431/step, 1.42464 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3716000 4005.8981 20477.0812 14502.7345 226.4963 -203728.6396 2730.6153 0.0000 0.0000 52013.6511 -109772.1631 298.9232 -161785.8142 -109407.5263 298.3047 -141.1854 -101.8362 762295.0961 -2.6847 -2.6019 PRESSURE: 3716200 345.303 -20.666 -2.14945 -20.6657 -106.884 69.2676 -2.14905 69.2671 187.143 GPRESSURE: 3716200 288.97 95.0615 -52.1432 -127.665 36.1939 -1.92703 -18.9671 6.7114 198.109 PRESSAVG: 3716200 -3.54099 -2.70105 -31.2589 -2.70106 12.3543 25.6808 -31.2589 25.6808 13.8993 GPRESSAVG: 3716200 -4.79811 -1.98966 -30.7973 -1.17078 12.8769 26.489 -32.9933 24.519 14.5589 TIMING: 3716200 CPU: 11983.8, 0.0040105/step Wall: 11983.8, 0.0040105/step, 1.43019 hours remaining, 233.828125 MB of memory in use. ENERGY: 3716200 3916.4428 20457.4749 14464.1791 223.2537 -203892.0285 2852.8002 0.0000 0.0000 52072.8921 -109904.9857 299.2636 -161977.8778 -109550.2064 298.6520 141.8542 174.4243 761223.1848 7.5709 7.5459 LDB: ============= START OF LOAD BALANCING ============== 11996.4 LDB: ============== END OF LOAD BALANCING =============== 11996.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11996.4 LDB: ============= START OF LOAD BALANCING ============== 11996.8 LDB: Largest compute 7049 load 0.031059 is 16.1% of average load 0.193306 LDB: Average compute 0.004480 is 2.3% of average load 0.193306 LDB: TIME 11996.8 LOAD: AVG 0.193306 MAX 0.214736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.371 MB LDB: TIME 11996.8 LOAD: AVG 0.193306 MAX 0.214736 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: TIME 11996.8 LOAD: AVG 0.193306 MAX 0.214736 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: ============== END OF LOAD BALANCING =============== 11996.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11996.8 PRESSURE: 3716400 -267.642 -32.8042 256.851 -32.8039 -158.278 -221.227 256.852 -221.228 -286.397 GPRESSURE: 3716400 -140.129 -64.3211 237.966 52.8401 -196.052 -119.02 298.789 -65.1457 -290.256 PRESSAVG: 3716400 53.4948 -26.507 17.8657 -26.507 -40.2556 40.0848 17.8656 40.0848 4.20436 GPRESSAVG: 3716400 53.1273 -26.92 17.6853 -25.8758 -41.3135 40.6259 18.853 40.8361 5.54083 TIMING: 3716400 CPU: 11984.7, 0.00407855/step Wall: 11984.7, 0.00407855/step, 1.45423 hours remaining, 232.527344 MB of memory in use. ENERGY: 3716400 3988.9397 20568.7973 14464.9212 237.1160 -203270.8639 2324.2493 0.0000 0.0000 51727.3046 -109959.5359 297.2775 -161686.8405 -109600.0547 298.6103 -237.4391 -208.8121 761627.5734 5.8145 5.7849 PRESSURE: 3716600 1.53681 -57.9459 -18.6808 -57.9462 -117.451 124.167 -18.6801 124.167 134.829 GPRESSURE: 3716600 -3.82575 29.7402 19.3255 -136.173 7.28806 134.835 -113.026 33.18 116.93 PRESSAVG: 3716600 22.4492 5.93241 29.4401 5.93241 -46.2453 -1.41909 29.44 -1.41907 8.95316 GPRESSAVG: 3716600 23.2865 6.15441 30.4241 5.58565 -44.7311 -0.974632 28.4641 -1.48718 6.9103 TIMING: 3716600 CPU: 11985.5, 0.00402664/step Wall: 11985.5, 0.00402664/step, 1.4355 hours remaining, 232.527344 MB of memory in use. ENERGY: 3716600 3952.7622 20346.4284 14389.2989 247.2975 -203010.0033 2174.7392 0.0000 0.0000 52048.5155 -109850.9615 299.1235 -161899.4771 -109490.4228 298.5695 6.3049 40.1307 762661.7826 -4.9476 -4.8448 PRESSURE: 3716800 -203.132 161.885 -202.159 161.884 159.567 130.351 -202.159 130.35 -76.3987 GPRESSURE: 3716800 -170.679 98.9054 -175.561 252.906 135.242 1.15538 -192.02 -7.25935 7.88008 PRESSAVG: 3716800 -28.2948 -44.0399 12.4222 -44.0399 3.481 -1.01176 12.4222 -1.01181 -17.4439 GPRESSAVG: 3716800 -28.5839 -44.4077 11.8769 -43.8518 3.1743 -1.76247 12.145 -2.78091 -16.778 TIMING: 3716800 CPU: 11986.3, 0.00401838/step Wall: 11986.3, 0.00401838/step, 1.43233 hours remaining, 232.527344 MB of memory in use. ENERGY: 3716800 4068.6152 20294.9004 14475.1997 247.8539 -203507.9895 2681.1461 0.0000 0.0000 52109.7356 -109630.5387 299.4754 -161740.2743 -109273.8120 298.6852 -39.9877 -9.1856 763317.2747 -14.0859 -14.0625 PRESSURE: 3717000 339.361 42.8805 -27.6017 42.8815 4.92528 -39.0131 -27.6014 -39.0138 -57.021 GPRESSURE: 3717000 395.957 39.1866 -13.1838 49.7058 6.21829 -82.3226 30.6628 96.1643 -42.598 PRESSAVG: 3717000 76.1901 15.2038 -9.19078 15.2038 -49.1078 -0.853429 -9.19085 -0.853426 -5.71192 GPRESSAVG: 3717000 76.5682 14.3378 -7.37503 18.0849 -49.6561 -0.708325 -7.51385 1.6906 -5.34799 TIMING: 3717000 CPU: 11987.1, 0.00400478/step Wall: 11987.1, 0.00400478/step, 1.42726 hours remaining, 232.527344 MB of memory in use. ENERGY: 3717000 3940.1627 20469.4361 14465.0264 250.3018 -203097.6368 2395.8566 0.0000 0.0000 52016.0711 -109560.7820 298.9371 -161576.8531 -109193.8742 299.1850 95.7550 119.8591 761861.3042 7.1235 7.1880 PRESSURE: 3717200 209.538 -36.6401 -164.691 -36.6404 -68.3628 93.1707 -164.69 93.1716 112.615 GPRESSURE: 3717200 215.814 -39.0459 -147.222 -61.3869 24.8564 75.1374 -121.054 126.517 89.1648 PRESSAVG: 3717200 16.3574 -15.5415 -20.4514 -15.5415 -29.7347 -16.0546 -20.4514 -16.0546 9.10419 GPRESSAVG: 3717200 16.3789 -15.3012 -22.2938 -18.8687 -29.3555 -14.413 -19.9978 -17.4238 8.50658 TIMING: 3717200 CPU: 11987.9, 0.0040166/step Wall: 11987.9, 0.0040166/step, 1.43125 hours remaining, 232.527344 MB of memory in use. ENERGY: 3717200 3927.1967 20406.1280 14529.9460 239.1810 -203532.3467 2525.9977 0.0000 0.0000 52181.4973 -109722.4000 299.8878 -161903.8973 -109357.9254 299.0834 84.5968 109.9449 762493.2591 -1.4244 -1.4900 PRESSURE: 3717400 -31.8902 69.4746 139.13 69.4752 312.166 -47.5414 139.13 -47.5416 -59.1682 GPRESSURE: 3717400 63.509 84.0625 202.972 107.505 317.963 -182.114 253.795 34.5623 -79.9984 PRESSAVG: 3717400 14.691 -26.7522 8.17451 -26.7522 20.1922 43.9343 8.17448 43.9343 5.05918 GPRESSAVG: 3717400 14.3802 -27.4276 7.61344 -27.4706 20.0988 42.3192 8.67403 44.5907 5.57817 TIMING: 3717400 CPU: 11988.7, 0.00399556/step Wall: 11988.7, 0.00399556/step, 1.42353 hours remaining, 232.527344 MB of memory in use. ENERGY: 3717400 3969.4801 20396.7772 14445.5004 220.9256 -203073.9112 2378.3140 0.0000 0.0000 51553.3260 -110109.5880 296.2777 -161662.9139 -109749.8752 298.7614 73.7024 100.4912 760730.9992 13.3141 13.3524 PRESSURE: 3717600 528.502 201.987 -70.5669 201.986 -9.18323 -255.505 -70.5663 -255.506 394.652 GPRESSURE: 3717600 536.422 185.262 -124.385 159.042 96.0542 -217.269 -250.039 -252.978 355.906 PRESSAVG: 3717600 -7.13936 -23.1332 -65.3736 -23.1331 14.0674 33.4558 -65.3735 33.4558 -24.735 GPRESSAVG: 3717600 -7.29118 -22.1466 -64.5994 -23.5302 12.8529 33.4789 -66.3052 32.0565 -23.964 TIMING: 3717600 CPU: 11989.5, 0.00400905/step Wall: 11989.5, 0.00400905/step, 1.42811 hours remaining, 232.527344 MB of memory in use. ENERGY: 3717600 4018.8116 20312.5715 14470.8928 236.3648 -203808.2629 2930.4047 0.0000 0.0000 51895.4447 -109943.7728 298.2438 -161839.2176 -109589.6856 297.9127 304.6570 329.4607 761628.6704 -5.9357 -6.1341 PRESSURE: 3717800 -345.984 -281.017 18.0487 -281.017 143.83 203.623 18.0491 203.623 157.188 GPRESSURE: 3717800 -232.077 -247.361 -77.4942 -173.837 128.398 145.223 30.5542 197.933 153.621 PRESSAVG: 3717800 27.7424 -55.874 -49.8426 -55.874 -41.5803 55.0647 -49.8427 55.0647 7.1549 GPRESSAVG: 3717800 28.9368 -55.2605 -49.9218 -55.2043 -40.2514 55.6035 -50.8026 55.4747 5.23023 TIMING: 3717800 CPU: 11990.3, 0.00401499/step Wall: 11990.3, 0.00401499/step, 1.43001 hours remaining, 232.527344 MB of memory in use. ENERGY: 3717800 3956.5267 20309.0022 14501.1695 245.4184 -203266.4678 2434.0114 0.0000 0.0000 51930.4245 -109889.9150 298.4449 -161820.3395 -109520.8144 298.7372 -14.9888 16.6475 762608.4998 -2.2277 -2.0281 PRESSURE: 3718000 -248.189 -45.9756 -40.5969 -45.9765 534.747 -143.403 -40.5973 -143.403 56.2694 GPRESSURE: 3718000 -133.48 -17.5385 -132.155 -76.3711 447.912 -119.88 53.4502 -173.91 94.1259 PRESSAVG: 3718000 36.5193 -0.422295 47.7158 -0.422288 -39.6447 -17.6542 47.7158 -17.6543 5.88756 GPRESSAVG: 3718000 36.3264 1.73717 47.722 -1.27106 -39.5892 -19.2995 47.321 -18.4794 5.25227 TIMING: 3718000 CPU: 11991.1, 0.00402596/step Wall: 11991.1, 0.00402596/step, 1.43369 hours remaining, 232.527344 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: 3718000 3918.0273 20507.6575 14460.6145 248.9013 -203572.2030 2611.3060 0.0000 0.0000 51807.6227 -110018.0738 297.7391 -161825.6965 -109659.1034 297.8993 114.2760 136.1862 761018.9305 0.9207 0.6632 PRESSURE: 3718200 130.886 59.432 -14.8644 59.4322 40.3162 -38.0494 -14.8642 -38.0501 601.959 GPRESSURE: 3718200 157.287 151.314 44.3286 55.2838 64.0543 -74.2127 -107.932 -66.2262 619.763 PRESSAVG: 3718200 27.5607 -7.88776 13.2517 -7.88778 1.86848 -42.4841 13.2517 -42.484 -7.7048 GPRESSAVG: 3718200 28.4868 -10.077 13.1831 -6.33553 0.53661 -42.5733 13.6176 -42.3182 -6.74051 TIMING: 3718200 CPU: 11991.9, 0.00401462/step Wall: 11991.9, 0.00401462/step, 1.42943 hours remaining, 232.527344 MB of memory in use. ENERGY: 3718200 3916.4862 20590.2592 14428.7376 239.9316 -203499.5979 2622.1454 0.0000 0.0000 52027.9010 -109674.1368 299.0051 -161702.0379 -109302.4183 298.5423 257.7204 280.3682 762132.0395 7.2414 7.4276 PRESSURE: 3718400 38.951 -26.4852 72.5809 -26.4857 239.615 -64.6165 72.5803 -64.6154 572.852 GPRESSURE: 3718400 31.4092 33.7604 24.8776 79.0603 304.946 -32.7099 41.7853 -100.119 595.455 PRESSAVG: 3718400 54.6555 13.1445 34.5012 13.1445 -38.3218 -47.8144 34.5012 -47.8144 -13.9715 GPRESSAVG: 3718400 52.3557 13.0338 34.4323 12.3279 -36.0401 -48.51 34.5017 -46.0432 -13.8409 TIMING: 3718400 CPU: 11992.7, 0.00404291/step Wall: 11992.7, 0.00404291/step, 1.43928 hours remaining, 232.527344 MB of memory in use. ENERGY: 3718400 4003.4399 20548.0621 14500.0195 245.0700 -203803.2854 2805.3873 0.0000 0.0000 52259.8835 -109441.4232 300.3383 -161701.3067 -109079.9532 299.0942 283.8060 310.6035 759912.1954 0.7874 0.8249 PRESSURE: 3718600 370.857 -74.0106 -29.5733 -74.0109 28.6446 -58.2183 -29.5732 -58.2175 289.028 GPRESSURE: 3718600 394.408 -39.157 -94.5825 -63.0089 24.9139 -76.0695 67.2138 -77.3454 373.544 PRESSAVG: 3718600 46.2397 -41.435 -35.0352 -41.435 4.99493 -22.1571 -35.0353 -22.157 0.571816 GPRESSAVG: 3718600 47.7746 -41.873 -34.3927 -41.4979 3.48477 -20.5122 -35.3208 -21.8403 0.556059 TIMING: 3718600 CPU: 11993.5, 0.00403941/step Wall: 11993.5, 0.00403941/step, 1.4378 hours remaining, 232.527344 MB of memory in use. ENERGY: 3718600 4037.6351 20415.4094 14460.7467 245.2111 -203520.5531 2891.1024 0.0000 0.0000 51884.4990 -109585.9495 298.1809 -161470.4485 -109223.8551 299.0512 229.5098 264.2885 761285.0146 17.2688 17.2718 PRESSURE: 3718800 151.879 10.9803 85.5214 10.9808 307.78 37.3333 85.5212 37.3336 144.22 GPRESSURE: 3718800 175.322 16.7049 106.992 59.2792 385.729 12.4223 49.9178 5.00536 129.544 PRESSAVG: 3718800 55.4455 -78.5634 -33.5785 -78.5634 -84.8042 -25.7767 -33.5785 -25.7766 1.25731 GPRESSAVG: 3718800 54.847 -78.5119 -31.8309 -78.4948 -85.543 -25.5019 -34.3652 -26.2343 2.00442 TIMING: 3718800 CPU: 11994.3, 0.00403998/step Wall: 11994.3, 0.00403998/step, 1.43778 hours remaining, 232.527344 MB of memory in use. ENERGY: 3718800 3962.7297 20527.2897 14474.4053 244.5964 -203360.3392 2647.6073 0.0000 0.0000 52047.7870 -109455.9238 299.1193 -161503.7108 -109100.6709 299.0468 201.2932 230.1982 761114.7285 -9.3671 -9.5639 PRESSURE: 3719000 -255.313 73.6896 -16.8094 73.6897 39.5859 -77.7804 -16.809 -77.7797 234.696 GPRESSURE: 3719000 -222.887 -79.8093 -45.3082 -5.70063 136.364 -51.353 67.3748 -40.6394 210.531 PRESSAVG: 3719000 -31.416 -19.9717 -38.6547 -19.9717 10.1407 -17.5419 -38.6546 -17.5417 14.1081 GPRESSAVG: 3719000 -31.1808 -18.8011 -40.6429 -21.0553 11.0366 -18.4447 -37.1147 -19.8343 13.2757 TIMING: 3719000 CPU: 11995.1, 0.00400053/step Wall: 11995.1, 0.00400053/step, 1.42352 hours remaining, 232.527344 MB of memory in use. ENERGY: 3719000 3978.8364 20444.8343 14520.6494 242.9468 -203333.7607 2768.3706 0.0000 0.0000 52069.4407 -109308.6825 299.2438 -161378.1232 -108948.8281 299.4563 6.3227 41.3359 762933.5498 -2.3891 -2.2895 PRESSURE: 3719200 294.24 84.1618 -12.683 84.1613 34.9494 -45.0168 -12.6838 -45.0176 374.907 GPRESSURE: 3719200 368.102 81.6285 72.8282 81.4383 42.2934 -84.1234 -88.3938 -81.5825 356.54 PRESSAVG: 3719200 -19.0369 -38.1195 -22.679 -38.1195 -2.41728 9.65429 -22.679 9.65425 6.43019 GPRESSAVG: 3719200 -18.7609 -37.6774 -19.9244 -38.01 -3.19936 8.93374 -25.6664 12.1526 7.09743 TIMING: 3719200 CPU: 11995.9, 0.00399133/step Wall: 11995.9, 0.00399133/step, 1.42003 hours remaining, 232.527344 MB of memory in use. ENERGY: 3719200 4043.1066 20629.5621 14488.0130 228.6522 -203646.8682 2731.2607 0.0000 0.0000 52365.2755 -109160.9981 300.9440 -161526.2736 -108797.6292 299.3937 234.6987 255.6451 761680.9929 -5.0080 -4.9543 PRESSURE: 3719400 189.492 56.1488 111.318 56.1484 316.924 49.1581 111.317 49.1579 150.405 GPRESSURE: 3719400 186.694 120.549 183.596 123.342 431.029 68.375 92.5874 -44.389 126.113 PRESSAVG: 3719400 -37.3065 11.5775 -30.0071 11.5774 -22.5297 1.94393 -30.0072 1.94395 -1.10689 GPRESSAVG: 3719400 -38.3573 11.2818 -30.9331 12.754 -21.1983 4.32311 -28.2972 0.349049 -2.01313 TIMING: 3719400 CPU: 11996.7, 0.00402436/step Wall: 11996.7, 0.00402436/step, 1.43155 hours remaining, 232.527344 MB of memory in use. ENERGY: 3719400 3942.9071 20663.6278 14455.7995 250.8203 -203439.1203 2729.4498 0.0000 0.0000 52066.9287 -109329.5872 299.2294 -161396.5158 -108956.7045 299.7608 218.9403 247.9455 762068.0601 -20.3144 -20.5229 PRESSURE: 3719600 88.4519 148.732 20.5 148.733 -95.5992 -254.225 20.4999 -254.225 64.4495 GPRESSURE: 3719600 219.76 29.6128 3.17135 63.7666 -102.588 -228.817 -90.2235 -102.113 25.6944 PRESSAVG: 3719600 -21.0785 41.7253 0.0356921 41.7253 3.43279 -19.0002 0.035629 -19.0002 23.2058 GPRESSAVG: 3719600 -18.9176 41.2942 1.48315 44.3149 0.775647 -21.1019 -0.0218596 -17.0996 23.2546 TIMING: 3719600 CPU: 11997.5, 0.00405101/step Wall: 11997.5, 0.00405101/step, 1.44081 hours remaining, 232.527344 MB of memory in use. ENERGY: 3719600 4009.4444 20564.4115 14531.8175 253.8338 -203512.2904 2572.8425 0.0000 0.0000 52120.1771 -109459.7637 299.5354 -161579.9408 -109100.4691 299.8733 19.1007 47.6222 759633.1883 1.8534 1.7042 PRESSURE: 3719800 -337.499 105.234 -57.5828 105.234 309.534 -264.86 -57.5821 -264.86 -162.109 GPRESSURE: 3719800 -220.26 137.705 -20.2364 121.597 221.971 -265.867 -78.4316 -268.523 -99.9959 PRESSAVG: 3719800 5.59059 -16.4713 -59.1566 -16.4713 23.5242 -10.4818 -59.1566 -10.4818 -24.6717 GPRESSAVG: 3719800 4.50187 -16.4394 -61.9256 -19.9501 24.471 -11.4886 -57.3254 -11.82 -23.8902 TIMING: 3719800 CPU: 11998.3, 0.00406824/step Wall: 11998.3, 0.00406824/step, 1.44671 hours remaining, 232.527344 MB of memory in use. ENERGY: 3719800 4038.5893 20478.4189 14458.5905 240.2550 -203244.9263 2495.6758 0.0000 0.0000 52058.0353 -109475.3615 299.1782 -161533.3967 -109116.3612 299.4931 -63.3580 -32.7616 761412.9428 1.4810 1.6942 PRESSURE: 3720000 -180.972 111.053 -84.8963 111.052 -300.396 -73.6557 -84.896 -73.6555 106.579 GPRESSURE: 3720000 -87.5842 22.1043 -82.32 42.6743 -282.702 -64.5304 -135.594 -25.5359 68.8947 PRESSAVG: 3720000 6.58971 -11.955 -43.2275 -11.955 8.01565 -49.9376 -43.2275 -49.9376 -3.65851 GPRESSAVG: 3720000 6.28982 -11.6012 -41.4339 -9.89349 8.62629 -48.6104 -45.0123 -49.5092 -4.1427 TIMING: 3720000 CPU: 11999.1, 0.00404157/step Wall: 11999.1, 0.00404157/step, 1.437 hours remaining, 232.527344 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: 3720000 3979.9411 20553.7585 14444.2103 265.1449 -203462.9378 2592.6525 0.0000 0.0000 52219.8136 -109407.4170 300.1080 -161627.2305 -109041.9746 299.0355 -124.9299 -100.4639 763159.4632 3.6490 3.5911 PRESSURE: 3720200 -214.423 -47.6264 188.508 -47.6263 -147.874 -18.686 188.507 -18.685 78.7183 GPRESSURE: 3720200 -179.396 42.6862 116.723 -54.4793 -128.01 16.2502 -27.7064 -172.73 110.376 PRESSAVG: 3720200 -9.85922 1.99795 -15.2372 1.99797 6.7958 -8.50224 -15.2372 -8.50227 4.4902 GPRESSAVG: 3720200 -10.5674 3.20304 -15.1279 0.179875 6.51613 -8.34453 -18.9881 -9.19239 5.2952 TIMING: 3720200 CPU: 12000, 0.00401928/step Wall: 12000, 0.00401928/step, 1.42885 hours remaining, 232.527344 MB of memory in use. ENERGY: 3720200 4003.7488 20602.3176 14397.8862 243.7935 -203284.1968 2578.7098 0.0000 0.0000 52173.4887 -109284.2522 299.8418 -161457.7409 -108929.6809 299.4731 -94.5264 -65.6766 763160.7583 0.4756 0.4146 LDB: ============= START OF LOAD BALANCING ============== 12012.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12012.5 LDB: =============== DONE WITH MIGRATION ================ 12012.5 LDB: ============= START OF LOAD BALANCING ============== 12012.9 LDB: Largest compute 7049 load 0.031927 is 16.5% of average load 0.193376 LDB: Average compute 0.004466 is 2.3% of average load 0.193376 LDB: TIME 12012.9 LOAD: AVG 0.193376 MAX 0.216633 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 12012.9 LOAD: AVG 0.193376 MAX 0.216633 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 12012.9 LOAD: AVG 0.193376 MAX 0.215011 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 12012.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12012.9 PRESSURE: 3720400 142.578 -158.978 -9.79942 -158.977 -238.129 37.6002 -9.79857 37.5995 51.8751 GPRESSURE: 3720400 213.7 -175.613 16.9732 -221.38 -211.057 -92.1413 96.8264 144.763 19.7774 PRESSAVG: 3720400 32.7726 -26.0258 -44.7896 -26.0259 -54.8637 -21.4134 -44.7895 -21.4134 -11.9513 GPRESSAVG: 3720400 33.1459 -28.3362 -46.8089 -25.2557 -55.1335 -22.2501 -41.6431 -22.4639 -12.7411 TIMING: 3720400 CPU: 12000.8, 0.00409021/step Wall: 12000.8, 0.00409021/step, 1.45384 hours remaining, 233.824219 MB of memory in use. ENERGY: 3720400 4025.5156 20459.1945 14516.1283 255.3228 -203556.7295 2749.5880 0.0000 0.0000 52114.1759 -109436.8044 299.5009 -161550.9804 -109071.1585 299.2450 -14.5586 7.4736 761487.7386 -11.3475 -11.5762 PRESSURE: 3720600 -169.004 -17.1653 -212.153 -17.165 43.4726 139.048 -212.154 139.049 325.859 GPRESSURE: 3720600 -22.3441 148.727 -334.282 -35.1017 120.055 163.132 -13.9755 156.565 203.806 PRESSAVG: 3720600 37.0304 -26.0276 -26.5614 -26.0276 -30.0114 -13.5795 -26.5614 -13.5796 6.37706 GPRESSAVG: 3720600 35.2884 -25.067 -25.6927 -25.9625 -29.0589 -12.8721 -24.7734 -12.9927 7.36078 TIMING: 3720600 CPU: 12001.6, 0.00402908/step Wall: 12001.6, 0.00402908/step, 1.43189 hours remaining, 233.824219 MB of memory in use. ENERGY: 3720600 3949.7784 20692.8712 14378.9153 258.6740 -203384.3937 2636.3477 0.0000 0.0000 52024.8020 -109443.0051 298.9873 -161467.8071 -109072.4363 299.3544 66.7758 100.5055 761003.0949 4.4654 4.5301 PRESSURE: 3720800 167.316 -138.311 -105.183 -138.312 -150.546 17.8871 -105.183 17.8874 -447.717 GPRESSURE: 3720800 108.487 -41.1317 -102.571 -68.3979 -159.142 -65.4619 -249.454 13.6803 -301.724 PRESSAVG: 3720800 31.3227 -80.2584 -0.766877 -80.2584 -38.0412 -42.7347 -0.766856 -42.7347 -11.2215 GPRESSAVG: 3720800 31.2918 -80.3289 -1.23891 -80.1173 -38.8029 -43.5638 -2.35653 -41.7691 -10.507 TIMING: 3720800 CPU: 12002.4, 0.00405159/step Wall: 12002.4, 0.00405159/step, 1.43967 hours remaining, 233.824219 MB of memory in use. ENERGY: 3720800 3968.8397 20627.5994 14417.6148 269.4190 -203338.6243 2397.1555 0.0000 0.0000 52098.9830 -109559.0129 299.4136 -161657.9960 -109191.7965 299.1786 -143.6490 -117.4595 762089.1508 -5.9800 -6.0060 PRESSURE: 3721000 -139.27 -121.019 47.6484 -121.018 144.717 408.935 47.6488 408.936 -263.339 GPRESSURE: 3721000 -109.264 -90.1189 62.9224 -147.168 204.743 367.315 133.391 230.621 -265.529 PRESSAVG: 3721000 -5.80704 2.36177 4.99295 2.3618 3.09735 -6.28792 4.99291 -6.28792 3.24789 GPRESSAVG: 3721000 -4.76698 2.72007 5.15204 3.1088 2.4916 -6.44004 4.90877 -6.61597 2.56618 TIMING: 3721000 CPU: 12003.2, 0.0040089/step Wall: 12003.2, 0.0040089/step, 1.42427 hours remaining, 234.082031 MB of memory in use. ENERGY: 3721000 4036.0676 20354.2501 14536.0379 248.5294 -203282.4677 2612.1367 0.0000 0.0000 52011.2751 -109484.1709 298.9095 -161495.4459 -109124.0581 299.4890 -85.9642 -56.6832 760713.4710 0.1794 0.0969 PRESSURE: 3721200 109.19 -15.7771 39.1564 -15.7775 472.74 -101.692 39.1562 -101.691 -111.242 GPRESSURE: 3721200 168.503 93.06 82.6266 -28.0185 518.581 -58.9764 -6.16144 -2.72389 -129.23 PRESSAVG: 3721200 29.3397 -48.3 -25.9068 -48.3001 -25.0039 -46.1987 -25.9068 -46.1986 -6.581 GPRESSAVG: 3721200 29.3996 -48.9169 -24.7446 -48.8354 -24.8567 -45.1574 -26.4904 -48.7794 -6.35285 TIMING: 3721200 CPU: 12004, 0.00404503/step Wall: 12004, 0.00404503/step, 1.43688 hours remaining, 234.082031 MB of memory in use. ENERGY: 3721200 3951.8707 20586.5762 14500.6600 248.4648 -203119.7617 2554.2802 0.0000 0.0000 52076.6597 -109201.2501 299.2853 -161277.9098 -108837.5034 300.0441 156.8961 185.9514 759418.1531 -0.7484 -0.6033 PRESSURE: 3721400 114.533 221.933 -160.787 221.933 -73.0149 73.5564 -160.787 73.5558 -128.586 GPRESSURE: 3721400 222.441 310.12 -182.961 155.824 -72.9207 44.887 -166.837 -70.6419 -142.499 PRESSAVG: 3721400 99.5561 -21.4484 21.2328 -21.4483 -46.4134 -2.32459 21.2328 -2.32462 -5.07074 GPRESSAVG: 3721400 99.0687 -21.4317 20.1948 -22.3919 -47.0026 -2.84402 22.271 -0.80513 -4.36448 TIMING: 3721400 CPU: 12004.8, 0.00402313/step Wall: 12004.8, 0.00402313/step, 1.42888 hours remaining, 234.082031 MB of memory in use. ENERGY: 3721400 3945.5089 20448.3759 14506.9811 238.9151 -203414.9055 2587.1598 0.0000 0.0000 52409.6801 -109278.2846 301.1992 -161687.9647 -108907.1111 300.0167 -29.0227 2.3405 759926.8802 16.0240 15.9005 PRESSURE: 3721600 314.301 -4.98992 -15.6985 -4.99033 -1.79421 -54.4153 -15.6977 -54.4163 -327.762 GPRESSURE: 3721600 335.933 33.7951 -30.6023 104.304 135.929 -72.4017 -105.448 -60.8832 -408.445 PRESSAVG: 3721600 -6.44925 4.15585 10.8862 4.15579 -29.2744 36.8761 10.8862 36.8761 -11.0761 GPRESSAVG: 3721600 -6.20058 4.63869 11.393 4.80788 -28.4704 37.488 10.9117 37.0062 -12.1907 TIMING: 3721600 CPU: 12005.6, 0.00405719/step Wall: 12005.6, 0.00405719/step, 1.44075 hours remaining, 234.082031 MB of memory in use. ENERGY: 3721600 4043.1403 20351.0846 14505.9745 242.6406 -203109.1173 2495.1818 0.0000 0.0000 52279.8303 -109191.2652 300.4529 -161471.0955 -108814.0518 299.7209 -5.0852 21.1391 761647.1522 -15.5999 -15.6206 PRESSURE: 3721800 267.981 67.3848 -68.682 67.3841 20.576 -206.382 -68.6822 -206.383 173.018 GPRESSURE: 3721800 304.602 70.8966 -82.4501 -38.2741 -3.26271 -143.216 -147.094 -195.579 250.781 PRESSAVG: 3721800 30.4448 -11.7433 -15.1077 -11.7434 -6.80508 -12.4964 -15.1077 -12.4964 -11.2085 GPRESSAVG: 3721800 31.3028 -9.67184 -14.3894 -14.2064 -7.83969 -13.4521 -16.1411 -10.6377 -10.3283 TIMING: 3721800 CPU: 12006.4, 0.00405267/step Wall: 12006.4, 0.00405267/step, 1.43892 hours remaining, 234.082031 MB of memory in use. ENERGY: 3721800 3939.6902 20647.2509 14455.9600 240.6624 -203594.4191 2823.9979 0.0000 0.0000 52263.5322 -109223.3255 300.3592 -161486.8576 -108853.6532 299.6862 153.8583 184.0400 762056.2734 4.1438 4.3783 PRESSURE: 3722000 -74.9192 138.596 117.732 138.595 -12.224 183.808 117.732 183.807 -42.6321 GPRESSURE: 3722000 -72.1822 74.0526 151.153 74.1944 65.6596 193.681 215.309 149.926 -36.1723 PRESSAVG: 3722000 50.7364 -43.6973 34.0359 -43.6972 -78.5445 26.0229 34.0359 26.0231 -3.81144 GPRESSAVG: 3722000 49.7155 -44.9276 33.7405 -41.4006 -76.8639 25.8319 34.9215 26.5623 -4.33696 TIMING: 3722000 CPU: 12007.2, 0.00404682/step Wall: 12007.2, 0.00404682/step, 1.43662 hours remaining, 234.082031 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: 3722000 4014.1892 20531.5916 14418.0228 229.2758 -203154.7754 2714.9710 0.0000 0.0000 52003.3398 -109243.3852 298.8639 -161246.7250 -108874.1837 299.8160 -43.2584 -14.2316 763717.4142 -10.5398 -10.4951 PRESSURE: 3722200 -75.6551 -137.287 187.505 -137.288 148.842 39.5892 187.505 39.5886 316.954 GPRESSURE: 3722200 13.0839 -223.694 66.2389 -69.1796 79.3256 77.5368 -4.18247 144.195 378.713 PRESSAVG: 3722200 6.94802 -11.6693 -8.5544 -11.6693 -21.9327 29.9228 -8.55434 29.9228 0.0953627 GPRESSAVG: 3722200 6.43975 -13.5747 -9.77288 -10.2379 -22.4599 31.9688 -9.27739 26.9084 1.22625 TIMING: 3722200 CPU: 12008, 0.00402133/step Wall: 12008, 0.00402133/step, 1.42735 hours remaining, 234.082031 MB of memory in use. ENERGY: 3722200 3957.3390 20583.5270 14426.2360 240.2129 -203520.0764 2715.0272 0.0000 0.0000 52111.0178 -109486.7165 299.4827 -161597.7343 -109124.8438 299.1433 130.0469 157.0409 762536.9477 -4.9631 -4.9313 PRESSURE: 3722400 344.752 12.9561 117.276 12.9552 -145.772 -192.518 117.277 -192.519 -162.016 GPRESSURE: 3722400 308.303 -105.434 168.521 82.0448 -13.4578 -195.985 55.6 -73.2176 -200.427 PRESSAVG: 3722400 29.5336 -50.0055 -10.2987 -50.0054 -28.5537 33.3378 -10.2986 33.3378 -3.28796 GPRESSAVG: 3722400 30.2945 -49.0216 -8.83721 -51.4602 -28.3997 32.7705 -10.1365 32.1065 -4.43388 TIMING: 3722400 CPU: 12008.8, 0.00404454/step Wall: 12008.8, 0.00404454/step, 1.43536 hours remaining, 234.082031 MB of memory in use. ENERGY: 3722400 4034.3996 20616.6193 14420.1189 242.4043 -203618.5666 2749.0485 0.0000 0.0000 52208.6915 -109347.2845 300.0441 -161555.9759 -108997.4035 299.3307 12.3212 31.4725 762232.4213 -0.7693 -0.8464 PRESSURE: 3722600 -157.813 -77.9503 92.5821 -77.9502 -126.387 68.7801 92.5821 68.7809 106.005 GPRESSURE: 3722600 -67.7563 -39.0778 56.1914 -163.205 -201.027 25.731 104.491 338.631 178.586 PRESSAVG: 3722600 56.5121 -58.7974 11.25 -58.7973 -22.2235 -25.3292 11.25 -25.3292 11.6959 GPRESSAVG: 3722600 57.0795 -57.284 12.6096 -57.7251 -23.8522 -28.1067 9.85966 -21.7119 12.5665 TIMING: 3722600 CPU: 12009.7, 0.00408808/step Wall: 12009.7, 0.00408808/step, 1.45059 hours remaining, 234.082031 MB of memory in use. ENERGY: 3722600 4062.3448 20576.9603 14412.1339 250.4001 -203636.6937 2658.7878 0.0000 0.0000 52307.8455 -109368.2213 300.6139 -161676.0668 -108998.1394 300.0417 -59.3984 -30.0656 760630.2352 15.3281 15.2646 PRESSURE: 3722800 205.063 -52.6808 43.6323 -52.6805 93.0889 119.516 43.6336 119.516 -214.658 GPRESSURE: 3722800 188.817 -119.96 101.723 -145.632 138.718 94.3672 14.5095 176.215 -162.307 PRESSAVG: 3722800 -28.0972 -64.9147 37.3406 -64.9147 38.3814 -24.7859 37.3406 -24.7859 10.1714 GPRESSAVG: 3722800 -29.4001 -65.5955 35.2413 -65.812 41.2702 -22.0839 39.373 -27.2585 8.84683 TIMING: 3722800 CPU: 12010.5, 0.00403828/step Wall: 12010.5, 0.00403828/step, 1.43269 hours remaining, 234.082031 MB of memory in use. ENERGY: 3722800 3942.1660 20533.8849 14448.1474 230.4475 -203478.6821 2574.3629 0.0000 0.0000 52110.3250 -109639.3484 299.4788 -161749.6734 -109269.6349 299.7008 27.8313 55.0757 760971.7080 6.8185 6.9056 PRESSURE: 3723000 -540.151 84.0893 -82.3842 84.0896 -40.8433 284.337 -82.3836 284.337 -159.773 GPRESSURE: 3723000 -486.847 106.455 21.4488 64.4381 -67.0562 324.759 -110.524 265.847 -106.235 PRESSAVG: 3723000 -11.4734 -37.5867 4.67096 -37.5866 -12.5769 51.0412 4.67098 51.0412 10.0409 GPRESSAVG: 3723000 -10.1644 -37.7468 5.21096 -36.7643 -14.0011 48.4201 2.29927 53.2322 10.94 TIMING: 3723000 CPU: 12011.3, 0.00405521/step Wall: 12011.3, 0.00405521/step, 1.43847 hours remaining, 234.082031 MB of memory in use. ENERGY: 3723000 4018.8772 20502.7069 14508.3036 244.5251 -203427.3859 2562.1357 0.0000 0.0000 52130.3844 -109460.4529 299.5940 -161590.8373 -109095.7142 299.0719 -246.9223 -220.0459 761963.5874 -4.6698 -4.4085 PRESSURE: 3723200 -149.265 -20.3518 119.642 -20.3522 -109.961 45.2029 119.642 45.2022 62.0674 GPRESSURE: 3723200 -134.566 16.2471 152.4 -31.6623 -68.9175 51.8368 164.691 -12.437 103.951 PRESSAVG: 3723200 -29.8097 -16.323 48.9906 -16.323 13.3175 4.96155 48.9906 4.96152 20.2647 GPRESSAVG: 3723200 -28.8373 -15.6486 48.5311 -15.8693 12.5846 7.70942 51.6422 2.21528 20.1743 TIMING: 3723200 CPU: 12012.1, 0.00404949/step Wall: 12012.1, 0.00404949/step, 1.43622 hours remaining, 234.082031 MB of memory in use. ENERGY: 3723200 3939.3677 20493.6760 14378.3713 230.1561 -203033.1829 2239.8644 0.0000 0.0000 52306.1092 -109445.6382 300.6039 -161751.7475 -109077.7229 299.5971 -65.7197 -33.1775 761264.0018 1.2575 1.3072 PRESSURE: 3723400 293.067 108.821 -128.626 108.822 -20.6024 -84.6031 -128.627 -84.6015 110.912 GPRESSURE: 3723400 354.296 114.97 -182.242 109.901 27.1278 -91.2944 -61.9619 -60.2332 67.9992 PRESSAVG: 3723400 27.5749 15.9441 -7.99388 15.9441 -46.1938 -35.5207 -7.99386 -35.5207 16.3303 GPRESSAVG: 3723400 25.6619 14.8673 -8.6091 14.3283 -44.2173 -37.989 -9.66061 -32.8237 15.5554 TIMING: 3723400 CPU: 12012.9, 0.00402422/step Wall: 12012.9, 0.00402422/step, 1.42703 hours remaining, 234.082031 MB of memory in use. ENERGY: 3723400 3926.6757 20587.1036 14444.2583 243.9636 -203389.3132 2738.1662 0.0000 0.0000 51777.1888 -109671.9570 297.5642 -161449.1458 -109307.6735 299.0074 127.7922 149.8077 762440.0569 -0.7629 -1.0000 PRESSURE: 3723600 -159.253 -89.3677 16.8178 -89.3676 -282.372 -171.471 16.818 -171.471 111.65 GPRESSURE: 3723600 -102.696 -145.115 41.7086 -108.749 -214.533 -154.485 -5.86475 -156.455 71.3797 PRESSAVG: 3723600 53.3667 9.15145 35.2152 9.15143 -45.5092 11.637 35.2152 11.637 2.37763 GPRESSAVG: 3723600 53.8833 8.32695 35.2736 10.237 -47.3118 13.1773 36.3573 8.78175 3.66852 TIMING: 3723600 CPU: 12013.7, 0.00400633/step Wall: 12013.7, 0.00400633/step, 1.42047 hours remaining, 234.082031 MB of memory in use. ENERGY: 3723600 3983.2544 20522.6389 14532.2303 260.0296 -203088.5664 2331.6144 0.0000 0.0000 51808.9516 -109649.8473 297.7468 -161458.7989 -109283.1369 298.5502 -109.9917 -81.9496 761330.9004 3.4117 3.4133 PRESSURE: 3723800 172.888 -0.289309 -200.053 -0.289597 -59.0395 94.958 -200.053 94.957 -2.74226 GPRESSURE: 3723800 193.668 63.0883 -199.372 31.0619 15.5835 126.39 -180.829 142.322 -25.1652 PRESSAVG: 3723800 -12.4528 -21.2159 24.5552 -21.2159 21.6069 -41.3198 24.5553 -41.3198 -21.4504 GPRESSAVG: 3723800 -12.9798 -19.9813 23.8936 -22.8601 21.4998 -41.1954 22.6105 -39.2335 -21.4047 TIMING: 3723800 CPU: 12014.5, 0.00401763/step Wall: 12014.5, 0.00401763/step, 1.42425 hours remaining, 234.082031 MB of memory in use. ENERGY: 3723800 3993.7691 20632.6623 14437.3052 256.5036 -203413.5166 2456.9291 0.0000 0.0000 51943.4652 -109692.8822 298.5198 -161636.3474 -109337.7249 298.9470 37.0353 61.3622 760798.5044 -4.0988 -4.2949 PRESSURE: 3724000 -196.078 148.675 -83.9709 148.675 237.13 -37.0971 -83.97 -37.0987 -186.742 GPRESSURE: 3724000 -179.005 126.355 -43.2104 138.998 300.056 -26.109 -3.61346 42.8342 -172.073 PRESSAVG: 3724000 -32.7265 -39.8429 29.7279 -39.8429 41.5856 54.2501 29.7279 54.2502 -23.3146 GPRESSAVG: 3724000 -32.9246 -41.0329 31.4579 -37.2848 42.5487 54.6697 30.1131 52.8427 -24.0378 TIMING: 3724000 CPU: 12015.3, 0.00403216/step Wall: 12015.3, 0.00403216/step, 1.42918 hours remaining, 234.082031 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: 3724000 4020.4126 20600.1882 14500.9921 245.5172 -203346.7486 2449.1066 0.0000 0.0000 52030.9562 -109499.5755 299.0226 -161530.5318 -109137.9293 299.2936 -48.5632 -17.0072 761686.8719 -4.8185 -4.8046 PRESSURE: 3724200 19.8213 41.5338 59.2555 41.5336 -306.39 -45.2137 59.256 -45.2124 -251.604 GPRESSURE: 3724200 17.7557 -5.72525 -19.0629 -25.0574 -258.013 -26.9345 -113.869 -21.8402 -207.093 PRESSAVG: 3724200 38.2223 -66.4418 18.8847 -66.4418 -40.7587 -42.1369 18.8846 -42.1369 -3.97359 GPRESSAVG: 3724200 38.7555 -67.6569 19.0835 -65.37 -41.1277 -42.6628 18.4031 -41.9468 -3.70979 TIMING: 3724200 CPU: 12016.1, 0.00404776/step Wall: 12016.1, 0.00404776/step, 1.43448 hours remaining, 234.082031 MB of memory in use. ENERGY: 3724200 4007.9155 20559.1594 14405.4054 242.3320 -203071.3420 2271.8907 0.0000 0.0000 51902.9096 -109681.7294 298.2867 -161584.6390 -109310.7989 298.9480 -179.3911 -149.1169 761243.5905 -2.1700 -2.0273 LDB: ============= START OF LOAD BALANCING ============== 12028.6 LDB: ============== END OF LOAD BALANCING =============== 12028.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12028.6 LDB: ============= START OF LOAD BALANCING ============== 12029 LDB: Largest compute 7049 load 0.031266 is 16.2% of average load 0.193399 LDB: Average compute 0.004469 is 2.3% of average load 0.193399 LDB: TIME 12029 LOAD: AVG 0.193399 MAX 0.215219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.156 MB LDB: TIME 12029 LOAD: AVG 0.193399 MAX 0.215219 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: TIME 12029 LOAD: AVG 0.193399 MAX 0.215219 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: ============== END OF LOAD BALANCING =============== 12029 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12029 PRESSURE: 3724400 212.888 184.934 -45.7098 184.936 18.5638 1.90143 -45.7101 1.90189 -258.265 GPRESSURE: 3724400 300.626 112.541 -4.28936 84.9561 -10.2334 -8.1136 -88.8757 -28.0012 -247.711 PRESSAVG: 3724400 6.63456 -11.3678 -65.1298 -11.3678 -14.2862 46.9838 -65.1298 46.9838 0.85998 GPRESSAVG: 3724400 6.20865 -11.1551 -65.4244 -11.8621 -13.8699 44.6434 -65.4082 45.9057 0.588247 TIMING: 3724400 CPU: 12016.9, 0.00411402/step Wall: 12016.9, 0.00411402/step, 1.45773 hours remaining, 234.339844 MB of memory in use. ENERGY: 3724400 4023.6038 20500.9781 14478.9474 260.1388 -203418.3849 2494.3354 0.0000 0.0000 51956.2586 -109704.1226 298.5933 -161660.3812 -109344.7951 298.6100 -8.9375 14.2272 759971.4434 -2.2639 -2.3577 PRESSURE: 3724600 -104.932 -311.87 346.592 -311.871 -287.302 -179.38 346.592 -179.381 -293.309 GPRESSURE: 3724600 12.0418 -219.088 348.455 -220.045 -228.165 -71.9849 330.492 -19.9193 -389.828 PRESSAVG: 3724600 12.7065 -134.281 -48.9082 -134.281 -50.7068 57.9251 -48.9082 57.925 -18.9655 GPRESSAVG: 3724600 14.658 -131.253 -50.2148 -136.75 -53.1723 59.9999 -46.0261 59.6517 -17.9624 TIMING: 3724600 CPU: 12017.8, 0.00404802/step Wall: 12017.8, 0.00404802/step, 1.43412 hours remaining, 234.410156 MB of memory in use. ENERGY: 3724600 4083.0821 20473.7636 14471.7592 246.5895 -203308.8323 2407.3347 0.0000 0.0000 51843.2430 -109783.0603 297.9438 -161626.3032 -109423.8649 299.0283 -228.5144 -201.9838 762052.9215 -18.9886 -18.8256 PRESSURE: 3724800 20.3482 -265.952 -342.602 -265.952 -278.176 7.02338 -342.602 7.02308 -580.769 GPRESSURE: 3724800 -41.068 -205.428 -404.317 -324.068 -158.415 14.1418 -413.664 79.5202 -543.118 PRESSAVG: 3724800 -9.98297 -29.8721 -44.8715 -29.8721 57.2208 8.43122 -44.8715 8.43122 2.20232 GPRESSAVG: 3724800 -10.821 -30.9316 -44.9127 -28.0949 59.2268 7.59734 -47.1291 7.13907 1.50855 TIMING: 3724800 CPU: 12018.6, 0.0040139/step Wall: 12018.6, 0.0040139/step, 1.42181 hours remaining, 234.410156 MB of memory in use. ENERGY: 3724800 3963.6607 20573.9466 14486.9622 259.1927 -203410.7809 2317.4541 0.0000 0.0000 51851.4186 -109958.1460 297.9908 -161809.5645 -109598.4893 298.9762 -279.5322 -247.5335 760412.7332 16.4800 16.6381 PRESSURE: 3725000 -79.3388 -65.8831 117.438 -65.8833 -39.6145 -77.7786 117.438 -77.7777 42.4776 GPRESSURE: 3725000 -53.0005 -70.404 81.7259 -257.943 16.0399 -159.038 102.694 -38.9042 54.089 PRESSAVG: 3725000 8.89862 -46.269 -32.0584 -46.2691 -26.8349 -26.3863 -32.0584 -26.3863 -11.4057 GPRESSAVG: 3725000 8.86992 -46.7993 -33.2918 -48.1692 -25.688 -26.5703 -33.2386 -27.9681 -12.1768 TIMING: 3725000 CPU: 12019.4, 0.00404237/step Wall: 12019.4, 0.00404237/step, 1.43167 hours remaining, 234.410156 MB of memory in use. ENERGY: 3725000 3896.7720 20475.7384 14403.4041 245.2520 -203434.0987 2450.5976 0.0000 0.0000 51871.5023 -110090.8323 298.1062 -161962.3346 -109717.7244 298.0996 -25.4919 5.7095 759698.5366 -9.7807 -9.6650 PRESSURE: 3725200 113.701 -35.7559 -13.276 -35.756 -164.244 109.659 -13.276 109.659 242.431 GPRESSURE: 3725200 119.203 -40.3951 34.8828 -2.47102 -133.923 103.584 134.449 113.869 267.469 PRESSAVG: 3725200 -29.7768 15.5494 -11.8474 15.5494 -13.6062 -27.5178 -11.8475 -27.5178 -19.644 GPRESSAVG: 3725200 -29.7623 18.3019 -9.87437 16.5626 -15.313 -27.1135 -10.4349 -25.7834 -18.6473 TIMING: 3725200 CPU: 12020.2, 0.00404594/step Wall: 12020.2, 0.00404594/step, 1.43271 hours remaining, 234.410156 MB of memory in use. ENERGY: 3725200 3936.1750 20469.4963 14366.3397 233.5526 -204148.6993 2825.1525 0.0000 0.0000 51917.3202 -110400.6630 298.3696 -162317.9832 -110031.0825 297.4875 63.9627 84.2496 759943.0611 -21.0090 -21.2409 PRESSURE: 3725400 177.883 -194.771 49.8156 -194.77 47.7654 -168.901 49.8155 -168.901 394.663 GPRESSURE: 3725400 151.699 -137.071 42.4766 -219.444 120.386 -56.916 28.5957 -235.973 442.706 PRESSAVG: 3725400 65.1154 -18.7046 8.29292 -18.7047 -27.1203 1.20503 8.29293 1.20502 26.5096 GPRESSAVG: 3725400 65.9952 -21.1081 8.32705 -19.0473 -27.6553 1.63318 7.46708 -0.210542 26.308 TIMING: 3725400 CPU: 12021, 0.00404876/step Wall: 12021, 0.00404876/step, 1.43349 hours remaining, 234.410156 MB of memory in use. ENERGY: 3725400 3897.3385 20448.9599 14495.6334 223.5144 -204119.3247 2799.6889 0.0000 0.0000 51915.1586 -110339.0309 298.3571 -162254.1896 -109979.0563 298.0983 206.7705 238.2636 759499.0752 21.5016 21.5493 PRESSURE: 3725600 143.067 -49.4714 96.3957 -49.4707 69.3959 216.025 96.395 216.025 -243.864 GPRESSURE: 3725600 149.279 -13.9838 211.887 -19.842 67.4573 185.556 17.9955 321.489 -152.23 PRESSAVG: 3725600 59.6793 -27.0809 28.949 -27.0809 -50.8832 -11.8737 28.9489 -11.8736 -16.9772 GPRESSAVG: 3725600 59.8169 -26.6277 28.9771 -24.4347 -50.1501 -13.4652 27.6456 -10.4521 -18.013 TIMING: 3725600 CPU: 12021.8, 0.00399434/step Wall: 12021.8, 0.00399434/step, 1.414 hours remaining, 234.410156 MB of memory in use. ENERGY: 3725600 4043.6814 20373.5358 14399.0618 229.2836 -203775.2873 2597.0136 0.0000 0.0000 51920.8744 -110211.8367 298.3900 -162132.7111 -109838.0301 298.0637 -10.4671 21.5022 759594.9371 -2.7270 -2.7821 PRESSURE: 3725800 129.028 224.83 -151.069 224.829 -202.43 2.88957 -151.069 2.89044 25.0221 GPRESSURE: 3725800 113.462 266.076 -122.218 182.7 -75.7599 17.2881 -219.228 143.223 -9.00895 PRESSAVG: 3725800 27.4426 34.38 -63.4814 34.3799 -14.6065 49.131 -63.4814 49.1309 1.96379 GPRESSAVG: 3725800 26.3659 34.9285 -64.7382 33.1443 -13.9668 49.743 -60.3072 49.1327 1.9888 TIMING: 3725800 CPU: 12022.6, 0.00399704/step Wall: 12022.6, 0.00399704/step, 1.41473 hours remaining, 234.410156 MB of memory in use. ENERGY: 3725800 3929.2284 20363.0732 14445.3032 251.7590 -203611.2498 2380.6898 0.0000 0.0000 52083.3766 -110157.8196 299.3239 -162241.1962 -109807.7605 298.1955 -16.1267 9.5643 759580.0145 4.9333 4.7960 PRESSURE: 3726000 -30.3944 59.2597 118.325 59.2587 17.0674 -0.185602 118.325 -0.186228 5.5292 GPRESSURE: 3726000 17.9688 40.2352 124.816 130.735 -12.732 -31.7128 180.462 -87.0232 74.2422 PRESSAVG: 3726000 -4.65215 -4.57168 11.5098 -4.57174 -5.21209 -6.94544 11.5097 -6.94545 -0.293946 GPRESSAVG: 3726000 -3.18116 -4.05097 9.57889 -4.08552 -6.80901 -5.38344 10.6551 -6.47081 -0.435974 TIMING: 3726000 CPU: 12023.4, 0.00401351/step Wall: 12023.4, 0.00401351/step, 1.42034 hours remaining, 234.410156 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: 3726000 4027.6642 20325.2119 14424.7643 257.5235 -203720.8684 2688.3170 0.0000 0.0000 51784.7124 -110212.6752 297.6075 -161997.3875 -109847.5116 297.9031 -2.5993 26.4930 760342.6351 -3.3861 -3.4754 PRESSURE: 3726200 -399.364 -83.9107 -83.9023 -83.9099 -70.0901 -157.357 -83.9024 -157.356 -164.529 GPRESSURE: 3726200 -393.575 -161.884 -160.318 -172.875 -68.9062 -59.3929 -3.01568 -146.215 -90.4833 PRESSAVG: 3726200 22.8893 23.5267 29.7934 23.5267 -8.94458 -13.9595 29.7934 -13.9595 7.86637 GPRESSAVG: 3726200 20.0497 22.4852 30.2187 22.227 -8.05433 -15.413 31.6563 -16.05 9.33874 TIMING: 3726200 CPU: 12024.2, 0.00404873/step Wall: 12024.2, 0.00404873/step, 1.43258 hours remaining, 234.410156 MB of memory in use. ENERGY: 3726200 4030.8956 20546.5299 14411.9649 251.2263 -203490.1917 2329.2434 0.0000 0.0000 51826.8866 -110093.4450 297.8498 -161920.3316 -109737.5821 298.0918 -211.3279 -184.3214 760028.4711 7.2703 7.1114 PRESSURE: 3726400 169.487 -25.0869 50.8545 -25.0865 -65.0229 -52.2937 50.8545 -52.2939 306.253 GPRESSURE: 3726400 233.293 -47.5807 107.206 -79.8373 -10.1492 -96.9059 -40.9853 81.3261 263.028 PRESSAVG: 3726400 3.51741 -25.2794 9.64577 -25.2794 -12.3757 -38.4675 9.6458 -38.4675 -10.2853 GPRESSAVG: 3726400 4.83304 -24.4451 12.8557 -25.7584 -11.8611 -37.9174 6.21888 -37.5901 -11.7589 TIMING: 3726400 CPU: 12025, 0.00403437/step Wall: 12025, 0.00403437/step, 1.42727 hours remaining, 234.410156 MB of memory in use. ENERGY: 3726400 3934.9253 20491.3547 14535.6383 254.4578 -204091.3993 2786.5136 0.0000 0.0000 51787.0566 -110301.4531 297.6209 -162088.5097 -109938.0113 297.7156 136.9056 162.0574 760222.8272 -6.3812 -6.2623 PRESSURE: 3726600 -209.179 -93.2974 108.175 -93.2981 -204.688 -61.9433 108.175 -61.9437 92.6173 GPRESSURE: 3726600 -135.324 -116.403 138.685 -16.3002 -181.671 -116.692 145.107 -163.967 68.3651 PRESSAVG: 3726600 -2.27444 -10.7075 -41.3739 -10.7075 40.4376 11.8 -41.3739 11.8001 15.4891 GPRESSAVG: 3726600 -0.649314 -11.5567 -42.4685 -9.95715 39.3096 10.6455 -40.3052 9.2713 15.1038 TIMING: 3726600 CPU: 12025.8, 0.00400953/step Wall: 12025.8, 0.00400953/step, 1.41826 hours remaining, 234.410156 MB of memory in use. ENERGY: 3726600 4041.4431 20399.5531 14460.0027 253.2577 -203173.0861 2132.3581 0.0000 0.0000 51718.6541 -110167.8172 297.2278 -161886.4713 -109809.5362 298.0884 -107.0833 -82.8766 760546.9408 17.8841 17.9214 PRESSURE: 3726800 67.2516 203.348 80.6492 203.348 125.619 135.629 80.6492 135.629 299.699 GPRESSURE: 3726800 166.437 107.469 147.307 130.986 157.696 123.781 18.5329 117.371 236.21 PRESSAVG: 3726800 -17.7794 -56.3862 -1.80327 -56.3862 5.67097 -16.1833 -1.80328 -16.1833 18.1836 GPRESSAVG: 3726800 -18.5132 -56.5254 -2.39856 -55.9147 5.35638 -17.1885 -1.58274 -14.534 19.4458 TIMING: 3726800 CPU: 12026.6, 0.00401249/step Wall: 12026.6, 0.00401249/step, 1.41908 hours remaining, 234.410156 MB of memory in use. ENERGY: 3726800 4012.0305 20392.1676 14464.2911 237.3681 -203824.5035 2817.3172 0.0000 0.0000 51872.3000 -110029.0291 298.1108 -161901.3291 -109661.9956 298.3632 164.1900 186.7810 760049.0751 2.0251 2.0963 PRESSURE: 3727000 51.6518 -231.852 -13.192 -231.852 -8.63679 121.275 -13.1926 121.275 -699.594 GPRESSURE: 3727000 101.593 -265.689 -43.416 -258.107 -31.5387 39.9895 -15.5918 192.65 -660.144 PRESSAVG: 3727000 -56.4342 -17.1821 25.8086 -17.1821 -0.397988 -42.3303 25.8086 -42.3303 3.235 GPRESSAVG: 3727000 -56.4394 -17.3434 25.7576 -16.1797 0.182676 -41.2692 25.2058 -38.9817 2.63349 TIMING: 3727000 CPU: 12027.4, 0.0040444/step Wall: 12027.4, 0.0040444/step, 1.43015 hours remaining, 234.410156 MB of memory in use. ENERGY: 3727000 4064.8566 20487.8968 14475.2338 260.0107 -203286.4497 2480.0331 0.0000 0.0000 51729.7646 -109788.6541 297.2917 -161518.4187 -109430.6347 298.3605 -218.8597 -196.6966 761871.0717 -17.8657 -17.8744 PRESSURE: 3727200 -23.7703 -49.3858 6.73744 -49.3853 -270.832 -154.237 6.73736 -154.237 331.025 GPRESSURE: 3727200 -43.7354 -23.444 62.6168 -92.5688 -214.644 -172.785 -31.8828 -173.493 383.694 PRESSAVG: 3727200 21.0285 -53.5298 9.72034 -53.5298 -38.6007 -15.9841 9.72037 -15.9841 -12.9952 GPRESSAVG: 3727200 20.4609 -51.4466 9.62003 -56.9655 -38.8209 -17.4887 11.872 -17.6204 -12.2352 TIMING: 3727200 CPU: 12028.2, 0.00400229/step Wall: 12028.2, 0.00400229/step, 1.41503 hours remaining, 234.410156 MB of memory in use. ENERGY: 3727200 4006.4754 20463.4606 14414.8180 241.7076 -203377.1995 2647.7734 0.0000 0.0000 51831.6618 -109771.3026 297.8773 -161602.9644 -109413.7105 298.7199 12.1407 41.7716 762474.2554 -10.1891 -10.1984 PRESSURE: 3727400 -291.137 63.7415 -178.933 63.7413 -405.61 -135.662 -178.933 -135.663 -253.642 GPRESSURE: 3727400 -312.653 5.09316 -198.067 45.7183 -334.276 -157.433 -182.352 -2.29426 -230.95 PRESSAVG: 3727400 23.4126 -68.5478 -34.9435 -68.5477 -14.818 -40.6213 -34.9435 -40.6213 6.18672 GPRESSAVG: 3727400 24.8151 -70.3111 -34.6739 -66.5364 -15.3586 -38.9487 -38.4531 -42.4372 5.61506 TIMING: 3727400 CPU: 12029, 0.00401623/step Wall: 12029, 0.00401623/step, 1.41974 hours remaining, 234.410156 MB of memory in use. ENERGY: 3727400 3945.8518 20486.7375 14414.2018 241.6797 -203020.7296 2259.5186 0.0000 0.0000 51639.4317 -110033.3083 296.7725 -161672.7400 -109665.2796 298.3278 -316.7964 -292.6263 762249.6266 4.9271 5.0238 PRESSURE: 3727600 -257.4 -162.725 25.955 -162.725 -397.535 -133.448 25.9552 -133.447 -235.693 GPRESSURE: 3727600 -153.463 -130.789 106.014 -136.916 -426.046 -109.312 115.606 -241.917 -226.024 PRESSAVG: 3727600 56.4573 -30.1719 28.5213 -30.1718 -102.428 -53.0836 28.5213 -53.0836 5.28742 GPRESSAVG: 3727600 55.7455 -32.0837 28.9707 -30.0253 -101.651 -53.4499 29.8678 -53.3952 4.98844 TIMING: 3727600 CPU: 12029.8, 0.0040355/step Wall: 12029.8, 0.0040355/step, 1.42633 hours remaining, 234.410156 MB of memory in use. ENERGY: 3727600 3996.5627 20575.6895 14378.1082 230.2693 -203235.2469 2460.7919 0.0000 0.0000 51914.3020 -109679.5233 298.3522 -161593.8253 -109304.4760 297.8018 -296.8762 -268.5112 763609.5487 -13.5610 -13.6390 PRESSURE: 3727800 140.077 -48.8154 -17.1559 -48.8151 38.3597 407.896 -17.156 407.895 212.899 GPRESSURE: 3727800 172.174 -154.967 6.63483 -29.7919 69.3906 511.164 108.382 348.318 239.58 PRESSAVG: 3727800 82.9888 -37.3248 37.2927 -37.3249 -66.6161 -68.4083 37.2928 -68.4083 -1.98683 GPRESSAVG: 3727800 84.1336 -34.6508 36.5104 -37.321 -67.5105 -69.0214 38.0639 -65.4731 -2.60903 TIMING: 3727800 CPU: 12030.6, 0.00402607/step Wall: 12030.6, 0.00402607/step, 1.42277 hours remaining, 234.410156 MB of memory in use. ENERGY: 3727800 3984.9573 20693.6610 14428.8557 269.8772 -203544.6567 2514.7249 0.0000 0.0000 52076.8654 -109575.7153 299.2865 -161652.5806 -109223.2390 298.7036 130.4452 160.3815 759348.7466 4.7953 4.6714 PRESSURE: 3728000 85.4123 53.7936 248.549 53.7937 73.1299 -291.248 248.549 -291.248 -24.3419 GPRESSURE: 3728000 148.752 -32.8349 85.771 29.2396 104.571 -302.986 163.77 -105.041 -27.2915 PRESSAVG: 3728000 80.0984 -37.5102 60.4607 -37.5102 -63.9147 -30.6953 60.4607 -30.6954 -25.6871 GPRESSAVG: 3728000 79.6888 -38.2365 61.0365 -37.4545 -64.3267 -29.4934 60.1742 -31.9252 -25.4118 TIMING: 3728000 CPU: 12031.4, 0.00401341/step Wall: 12031.4, 0.00401341/step, 1.41807 hours remaining, 234.410156 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: 3728000 3989.5529 20505.2596 14442.1835 271.6651 -203387.0696 2503.5560 0.0000 0.0000 52196.1601 -109478.6925 299.9720 -161674.8526 -109106.1436 299.4901 44.7334 75.3439 760320.0162 -3.1678 -3.3499 PRESSURE: 3728200 -97.2885 44.4214 83.756 44.4207 -96.2118 -16.5192 83.7563 -16.5211 310.64 GPRESSURE: 3728200 -53.8631 68.9568 126.852 73.4897 -57.7649 19.3659 97.9153 26.9901 308.199 PRESSAVG: 3728200 74.5046 -24.72 30.0581 -24.72 -57.5926 -23.1875 30.0581 -23.1875 7.32496 GPRESSAVG: 3728200 75.4753 -24.2091 30.7802 -24.7528 -56.9871 -23.0998 27.8852 -23.1165 6.44961 TIMING: 3728200 CPU: 12032.2, 0.00403425/step Wall: 12032.2, 0.00403426/step, 1.42521 hours remaining, 234.410156 MB of memory in use. ENERGY: 3728200 4003.3498 20537.1017 14482.9818 254.5998 -203385.7688 2466.6904 0.0000 0.0000 52159.2839 -109481.7614 299.7601 -161641.0453 -109118.3065 299.9493 39.0465 65.5236 759225.0397 8.0790 8.3126 LDB: ============= START OF LOAD BALANCING ============== 12044.7 LDB: ============== END OF LOAD BALANCING =============== 12044.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12044.7 LDB: ============= START OF LOAD BALANCING ============== 12045.1 LDB: Largest compute 7049 load 0.030568 is 15.8% of average load 0.193369 LDB: Average compute 0.004469 is 2.3% of average load 0.193369 LDB: TIME 12045.2 LOAD: AVG 0.193369 MAX 0.212893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.398 MB LDB: TIME 12045.2 LOAD: AVG 0.193369 MAX 0.212893 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.602 MB LDB: TIME 12045.2 LOAD: AVG 0.193369 MAX 0.212893 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.602 MB LDB: ============== END OF LOAD BALANCING =============== 12045.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12045.2 PRESSURE: 3728400 -58.5276 93.7753 26.3697 93.7755 5.60131 152.189 26.3704 152.189 -601.4 GPRESSURE: 3728400 18.9745 -29.4883 -62.5505 24.2658 -8.47574 107.386 160.393 85.8255 -592.137 PRESSAVG: 3728400 38.6652 -29.9283 -7.01533 -29.9283 -49.7111 -38.5614 -7.01532 -38.5613 -18.8756 GPRESSAVG: 3728400 37.2718 -30.1102 -8.77655 -30.179 -50.3388 -38.4347 -5.36855 -39.194 -16.7506 TIMING: 3728400 CPU: 12033.1, 0.00406913/step Wall: 12033.1, 0.00406913/step, 1.43731 hours remaining, 234.910156 MB of memory in use. ENERGY: 3728400 4020.4850 20604.6906 14433.0061 237.8712 -203745.3562 2566.4901 0.0000 0.0000 52190.4493 -109692.3639 299.9392 -161882.8132 -109328.1871 299.5088 -218.1088 -193.8795 759643.0637 -9.9739 -9.9392 PRESSURE: 3728600 77.9279 -199.806 -150.459 -199.806 -87.6728 -320.934 -150.458 -320.935 -173.986 GPRESSURE: 3728600 62.0329 -110.013 -119.856 -233.351 -19.1447 -339.617 -82.6397 -213.738 -157.924 PRESSAVG: 3728600 48.6841 -57.4377 5.63844 -57.4376 -3.06919 -28.8069 5.63844 -28.8069 -13.3436 GPRESSAVG: 3728600 48.8494 -57.8453 5.87166 -57.0967 -2.34077 -28.9314 5.99284 -26.046 -14.1094 TIMING: 3728600 CPU: 12033.9, 0.00402443/step Wall: 12033.9, 0.00402443/step, 1.42129 hours remaining, 234.980469 MB of memory in use. ENERGY: 3728600 4017.8909 20657.4395 14452.3312 255.2487 -203570.7690 2528.2334 0.0000 0.0000 52157.5129 -109502.1124 299.7499 -161659.6253 -109145.3211 299.0933 -61.2435 -38.3453 760996.7168 10.7571 10.7997 PRESSURE: 3728800 -52.4633 -171.478 -152.478 -171.479 137.377 228.068 -152.479 228.068 -209.492 GPRESSURE: 3728800 -58.0052 -165.61 -176 -222.072 228.046 238.835 -128.516 245.397 -221.976 PRESSAVG: 3728800 34.5214 -7.68229 -6.12587 -7.68233 -41.1258 -12.1452 -6.12586 -12.1452 -2.35378 GPRESSAVG: 3728800 34.3681 -6.17713 -6.85978 -10.3896 -41.5653 -10.958 -7.31834 -15.4162 -2.2899 TIMING: 3728800 CPU: 12034.7, 0.00400105/step Wall: 12034.7, 0.00400105/step, 1.41281 hours remaining, 234.980469 MB of memory in use. ENERGY: 3728800 4088.1287 20547.9125 14456.6680 244.9917 -203272.1270 2494.4175 0.0000 0.0000 51883.9394 -109556.0691 298.1777 -161440.0085 -109188.9982 299.1256 -41.5262 -17.3120 761250.6545 -2.9860 -3.1624 PRESSURE: 3729000 -277.553 -53.9639 260.086 -53.9633 -508.614 -50.6195 260.086 -50.6189 161.12 GPRESSURE: 3729000 -137.071 -90.8954 230.477 -94.83 -536.528 -26.2932 240.92 -46.4042 152.442 PRESSAVG: 3729000 17.621 -10.4704 25.5688 -10.4704 -35.3029 -58.5518 25.5688 -58.5518 -0.922137 GPRESSAVG: 3729000 17.217 -12.1269 26.8474 -8.34705 -34.7977 -59.4001 26.9501 -58.5518 -1.32613 TIMING: 3729000 CPU: 12035.5, 0.0039908/step Wall: 12035.5, 0.00399081/step, 1.40898 hours remaining, 234.980469 MB of memory in use. ENERGY: 3729000 4003.8488 20468.8313 14426.6153 240.0416 -203530.4404 2539.3374 0.0000 0.0000 52238.9788 -109612.7873 300.2181 -161851.7661 -109252.4007 299.1648 -208.3490 -173.7193 761441.3241 -6.2013 -6.3023 PRESSURE: 3729200 181.256 -108.071 -37.991 -108.07 148.464 -94.5281 -37.991 -94.5279 -27.8435 GPRESSURE: 3729200 198.662 -62.1871 -2.20261 -25.0272 187.668 -41.6676 -122.074 -88.9707 24.5638 PRESSAVG: 3729200 69.8466 -28.0399 21.957 -28.0399 -89.0455 0.360121 21.957 0.360152 -6.20817 GPRESSAVG: 3729200 70.7203 -27.52 22.3664 -27.1749 -90.4674 0.968446 22.2767 0.15139 -5.58274 TIMING: 3729200 CPU: 12036.3, 0.00400147/step Wall: 12036.3, 0.00400147/step, 1.41252 hours remaining, 234.980469 MB of memory in use. ENERGY: 3729200 3937.2584 20470.2348 14406.4339 232.2512 -203404.9586 2791.0375 0.0000 0.0000 51992.3681 -109575.3748 298.8009 -161567.7429 -109207.7045 299.2253 100.6256 136.9647 760856.3947 -8.4690 -8.4433 PRESSURE: 3729400 -130.048 210.444 -195.666 210.444 61.2476 -25.144 -195.667 -25.1434 -19.257 GPRESSURE: 3729400 -3.69509 26.7378 -228.434 205.335 88.4158 -37.0613 -124.869 -167.904 -87.6476 PRESSAVG: 3729400 32.6306 9.14641 5.00689 9.14641 -41.6768 -9.34815 5.00693 -9.34815 -8.12338 GPRESSAVG: 3729400 32.5798 6.4816 4.10894 7.06723 -40.3378 -8.50162 5.15928 -9.18339 -9.07057 TIMING: 3729400 CPU: 12037.1, 0.0039815/step Wall: 12037.1, 0.0039815/step, 1.40525 hours remaining, 234.980469 MB of memory in use. ENERGY: 3729400 4091.6415 20528.8943 14480.9148 253.4516 -203644.5099 2700.5659 0.0000 0.0000 52021.9586 -109567.0832 298.9709 -161589.0418 -109209.5829 299.2519 -29.3526 -0.9756 762102.0317 -5.7232 -5.6095 PRESSURE: 3729600 2.76973 -95.5287 65.4116 -95.5286 -354.497 -78.7774 65.412 -78.7778 -271.023 GPRESSURE: 3729600 -1.70911 -92.0023 78.9163 35.3336 -301.508 -147.14 153.587 34.0923 -221.631 PRESSAVG: 3729600 49.8721 0.98158 -45.2355 0.981557 -44.3978 -19.3806 -45.2355 -19.3805 4.55794 GPRESSAVG: 3729600 49.234 3.21872 -43.7291 4.5616 -45.6378 -19.1713 -46.383 -19.0284 5.99191 TIMING: 3729600 CPU: 12037.9, 0.00401701/step Wall: 12037.9, 0.00401701/step, 1.41756 hours remaining, 234.980469 MB of memory in use. ENERGY: 3729600 4083.7530 20445.3181 14497.1577 245.4340 -203496.2614 2542.2523 0.0000 0.0000 51984.4095 -109697.9368 298.7551 -161682.3462 -109332.5380 299.0809 -207.5835 -174.9494 760832.1222 3.3441 3.1960 PRESSURE: 3729800 80.6952 65.1676 -212.951 65.1667 -46.3926 -153.279 -212.952 -153.279 497.662 GPRESSURE: 3729800 147.397 71.5531 -137.005 8.97215 51.8266 -86.8157 -200.887 -244.967 426.71 PRESSAVG: 3729800 24.9475 19.3823 -8.02836 19.3822 -43.9832 -50.8405 -8.02835 -50.8405 2.28506 GPRESSAVG: 3729800 24.6626 19.5177 -9.51 17.8224 -42.1888 -52.9153 -8.74671 -51.0096 1.13129 TIMING: 3729800 CPU: 12038.7, 0.00399311/step Wall: 12038.7, 0.00399311/step, 1.4089 hours remaining, 234.980469 MB of memory in use. ENERGY: 3729800 3994.8285 20348.3837 14451.0900 234.9211 -203304.0611 2567.3805 0.0000 0.0000 52126.2555 -109581.2017 299.5703 -161707.4572 -109219.8023 299.6789 177.3216 208.6444 761784.9712 -5.5835 -5.4650 PRESSURE: 3730000 293.582 -218.135 -174.572 -218.134 258.259 -49.4642 -174.574 -49.4646 319.498 GPRESSURE: 3730000 383.921 -164.976 -133.732 -158.511 228.908 -62.8904 -11.9785 39.1826 354.83 PRESSAVG: 3730000 93.9047 2.32061 -4.01126 2.3206 -44.3328 -20.2786 -4.01126 -20.2786 -44.1696 GPRESSAVG: 3730000 94.539 2.6844 -3.57543 0.327996 -44.6004 -19.5954 -1.81156 -20.9849 -44.0826 TIMING: 3730000 CPU: 12039.4, 0.00397094/step Wall: 12039.4, 0.00397094/step, 1.40086 hours remaining, 234.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3730000 3955.3436 20392.6165 14423.5795 243.9833 -203536.7847 2812.8589 0.0000 0.0000 51989.3005 -109719.1024 298.7832 -161708.4029 -109365.5913 299.0805 290.4463 322.5528 760807.5878 1.8008 1.9520 PRESSURE: 3730200 245.418 -98.6973 319.336 -98.6973 -543.248 -90.1306 319.336 -90.1304 191.802 GPRESSURE: 3730200 259.934 -149.112 364.259 7.78034 -477.867 -28.2277 258.901 -61.2789 198.371 PRESSAVG: 3730200 70.7633 -44.6418 17.2976 -44.6418 -50.5802 -40.9106 17.2975 -40.9106 -15.3773 GPRESSAVG: 3730200 70.3962 -43.4025 17.3362 -43.0992 -51.6696 -40.8268 15.6006 -40.3539 -14.3611 TIMING: 3730200 CPU: 12040.2, 0.00398754/step Wall: 12040.2, 0.00398754/step, 1.40649 hours remaining, 234.980469 MB of memory in use. ENERGY: 3730200 3937.4256 20396.6222 14488.8681 256.0766 -203845.3889 2870.2811 0.0000 0.0000 52380.5066 -109515.6086 301.0315 -161896.1153 -109141.8882 299.0300 -35.3428 -6.5210 761495.6236 1.6020 1.4552 PRESSURE: 3730400 18.5664 50.6135 28.2508 50.6142 72.3765 70.1025 28.2506 70.1024 -175.241 GPRESSURE: 3730400 110.466 -43.0531 31.3322 54.7741 39.176 16.49 68.3877 151.2 -140.105 PRESSAVG: 3730400 34.0234 -32.3164 -18.8903 -32.3164 -40.4374 11.5084 -18.8904 11.5084 7.91599 GPRESSAVG: 3730400 34.5676 -34.8998 -19.5068 -32.7596 -40.1198 11.4863 -18.8878 12.4684 6.63291 TIMING: 3730400 CPU: 12041, 0.00400122/step Wall: 12041, 0.00400122/step, 1.4111 hours remaining, 234.980469 MB of memory in use. ENERGY: 3730400 3918.6811 20558.5486 14504.8448 236.9691 -203204.5244 2445.1990 0.0000 0.0000 52032.7773 -109507.5045 299.0331 -161540.2818 -109156.4836 299.4576 -28.0995 3.1788 760909.4660 0.5007 0.3602 PRESSURE: 3730600 130.295 269.933 -109.309 269.932 -34.3845 151.466 -109.309 151.467 -102.477 GPRESSURE: 3730600 156.737 162.993 -91.6353 193.369 -53.8161 62.357 -75.5943 66.5201 -28.1226 PRESSAVG: 3730600 77.2699 -56.6477 -28.772 -56.6477 -47.5907 -23.4124 -28.7719 -23.4124 -20.5107 GPRESSAVG: 3730600 77.7809 -57.5768 -27.7009 -55.4726 -47.8411 -23.9382 -27.7517 -24.3134 -20.6088 TIMING: 3730600 CPU: 12041.9, 0.0040188/step Wall: 12041.9, 0.0040188/step, 1.41707 hours remaining, 234.980469 MB of memory in use. ENERGY: 3730600 4002.0454 20647.1015 14458.8228 252.9005 -202817.3866 2186.8877 0.0000 0.0000 51836.0755 -109433.5532 297.9026 -161269.6286 -109073.3579 299.6052 -2.1887 24.9329 760079.1960 3.0562 3.1103 PRESSURE: 3730800 -122.863 -161.554 -382.907 -161.553 -145.896 82.1495 -382.907 82.1484 -11.0779 GPRESSURE: 3730800 -105.54 -238.754 -361.221 -206.617 -50.0497 42.3827 -387.786 74.9384 -43.2874 PRESSAVG: 3730800 53.4073 -59.6191 -38.142 -59.619 -17.8326 26.207 -38.1421 26.207 -2.96757 GPRESSAVG: 3730800 53.693 -59.9009 -37.4069 -61.37 -16.7126 27.1275 -39.5103 24.4949 -3.61573 TIMING: 3730800 CPU: 12042.6, 0.00399229/step Wall: 12042.6, 0.00399229/step, 1.4075 hours remaining, 234.980469 MB of memory in use. ENERGY: 3730800 3892.8676 20690.6222 14506.6865 260.6502 -203061.8328 2288.2294 0.0000 0.0000 52069.9061 -109352.8707 299.2465 -161422.7769 -108993.3133 299.4389 -93.2788 -66.2925 761245.4165 10.8691 11.1216 PRESSURE: 3731000 19.1324 99.489 121.971 99.489 -230.092 51.5513 121.971 51.5513 -411.269 GPRESSURE: 3731000 51.9485 56.1705 114.784 42.2566 -166.633 157.428 10.1294 37.2844 -428.36 PRESSAVG: 3731000 57.9134 7.31341 -5.65183 7.31338 -30.6311 56.436 -5.65184 56.436 10.9346 GPRESSAVG: 3731000 56.9595 10.7187 -7.51997 5.24662 -31.3337 56.364 -6.41142 58.54 12.617 TIMING: 3731000 CPU: 12043.5, 0.00401251/step Wall: 12043.5, 0.00401251/step, 1.41441 hours remaining, 234.980469 MB of memory in use. ENERGY: 3731000 3942.2699 20382.1464 14460.3250 241.3892 -203033.0978 2364.7608 0.0000 0.0000 52092.1472 -109550.0593 299.3743 -161642.2065 -109191.1343 299.1043 -207.4095 -181.0148 761741.4427 12.7390 12.7476 PRESSURE: 3731200 -60.9862 3.66608 197.796 3.66571 -99.1015 -85.4147 197.796 -85.4154 6.23722 GPRESSURE: 3731200 -58.814 15.5076 240.119 93.8958 -31.0517 -30.4182 13.5726 -89.6425 36.3273 PRESSAVG: 3731200 23.1499 -18.318 -1.27019 -18.3181 -27.0152 -21.1459 -1.27018 -21.1459 -1.20758 GPRESSAVG: 3731200 22.3154 -20.0218 -1.68592 -16.4792 -25.8243 -20.3647 1.31051 -23.2757 -1.37398 TIMING: 3731200 CPU: 12044.3, 0.00404906/step Wall: 12044.3, 0.00404906/step, 1.42707 hours remaining, 234.980469 MB of memory in use. ENERGY: 3731200 4021.8976 20398.5514 14507.7656 237.8426 -202950.5400 2349.7138 0.0000 0.0000 51929.0826 -109505.6863 298.4372 -161434.7689 -109149.0515 299.1217 -51.2835 -17.8461 760727.1387 -1.6909 -1.6276 PRESSURE: 3731400 20.8029 -98.9952 53.0652 -98.9954 -103.563 101.029 53.0654 101.029 212.41 GPRESSURE: 3731400 4.03211 -69.0238 109.377 -161.11 1.44861 39.8579 75.3083 58.2253 208.732 PRESSAVG: 3731400 32.597 -37.3113 28.0272 -37.3113 -22.3787 30.7061 28.0272 30.7062 23.5388 GPRESSAVG: 3731400 32.0062 -36.6419 29.7379 -36.8115 -22.1602 29.3497 25.843 30.9542 23.8525 TIMING: 3731400 CPU: 12045.1, 0.00401017/step Wall: 12045.1, 0.00401017/step, 1.41314 hours remaining, 234.980469 MB of memory in use. ENERGY: 3731400 3893.2210 20558.5682 14428.7178 269.8825 -203122.5529 2506.7244 0.0000 0.0000 52125.6087 -109339.8304 299.5666 -161465.4391 -108971.8062 299.1266 43.2166 71.4041 760768.2684 11.2524 11.2328 PRESSURE: 3731600 276.548 304.945 48.031 304.944 282.811 53.9676 48.0309 53.9671 266.775 GPRESSURE: 3731600 370.835 223.106 25.4269 176.637 326.615 107.79 3.76694 10.0777 211.524 PRESSAVG: 3731600 39.6431 -63.692 46.7066 -63.692 -57.527 27.5311 46.7066 27.5311 11.0633 GPRESSAVG: 3731600 40.7407 -63.6035 46.7709 -65.2603 -57.0443 27.6791 46.5505 29.3932 9.34873 TIMING: 3731600 CPU: 12045.9, 0.00400433/step Wall: 12045.9, 0.00400433/step, 1.41086 hours remaining, 234.980469 MB of memory in use. ENERGY: 3731600 3985.0737 20646.6174 14427.9203 243.2420 -203081.0086 2522.0848 0.0000 0.0000 52125.0965 -109130.9738 299.5636 -161256.0704 -108765.3503 299.8981 275.3780 302.9913 759397.3218 -2.2736 -2.3183 PRESSURE: 3731800 167.813 236.037 85.4447 236.039 44.7213 -23.0392 85.4445 -23.0395 241.898 GPRESSURE: 3731800 115.299 164.738 2.22135 210.09 200.956 -21.4952 228.072 -107.364 224.546 PRESSAVG: 3731800 50.0983 11.657 15.2524 11.657 -5.55145 93.6953 15.2523 93.6952 -2.11866 GPRESSAVG: 3731800 51.43 11.3846 14.6493 11.9226 -6.44602 92.903 17.2428 94.9607 -2.2882 TIMING: 3731800 CPU: 12046.7, 0.00399919/step Wall: 12046.7, 0.00399919/step, 1.40883 hours remaining, 234.980469 MB of memory in use. ENERGY: 3731800 3975.6412 20611.7009 14375.6282 233.7582 -203277.0045 2718.5611 0.0000 0.0000 52146.0368 -109215.6781 299.6840 -161361.7149 -108855.3613 300.0216 151.4773 180.2668 759455.1043 14.1427 14.2319 PRESSURE: 3732000 69.2321 159.238 124.916 159.238 21.9993 107.755 124.916 107.754 141.355 GPRESSURE: 3732000 30.4473 55.0707 144.914 249.855 116.699 122.829 160.325 101.497 152.06 PRESSAVG: 3732000 87.7244 -1.96101 -2.27649 -1.96101 -56.0457 42.6643 -2.27651 42.6643 10.8944 GPRESSAVG: 3732000 85.3969 -2.26636 -3.0755 -0.681548 -54.2443 42.9462 -1.92434 41.1317 11.8817 TIMING: 3732000 CPU: 12047.5, 0.0039766/step Wall: 12047.5, 0.0039766/step, 1.40065 hours remaining, 234.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3732000 3989.4181 20582.6965 14430.6690 246.9956 -203387.1538 2303.5124 0.0000 0.0000 52281.5676 -109552.2946 300.4629 -161833.8622 -109189.2343 300.0639 77.5289 99.7353 758198.8561 14.1910 14.3448 PRESSURE: 3732200 95.1748 7.58638 25.6499 7.58602 -271.115 166.948 25.6498 166.948 -35.1673 GPRESSURE: 3732200 152.528 -79.4425 52.6632 -38.7164 -170.756 229.346 112.414 59.64 -104.696 PRESSAVG: 3732200 117.447 38.5027 -10.2713 38.5026 -134.47 3.743 -10.2714 3.74306 -23.1014 GPRESSAVG: 3732200 118.143 37.813 -7.51627 39.6761 -134.649 3.39775 -11.603 3.59868 -23.2405 TIMING: 3732200 CPU: 12048.3, 0.00399122/step Wall: 12048.3, 0.00399122/step, 1.40558 hours remaining, 234.980469 MB of memory in use. ENERGY: 3732200 3998.6228 20392.8170 14438.3177 254.8908 -203344.5336 2431.3195 0.0000 0.0000 52094.0267 -109734.5391 299.3851 -161828.5658 -109371.0107 298.9063 -70.3692 -40.9743 759470.4352 -13.3747 -13.2486 LDB: ============= START OF LOAD BALANCING ============== 12060.8 LDB: ============== END OF LOAD BALANCING =============== 12060.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12060.8 LDB: ============= START OF LOAD BALANCING ============== 12061.2 LDB: Largest compute 7068 load 0.031596 is 16.3% of average load 0.193348 LDB: Average compute 0.004469 is 2.3% of average load 0.193348 LDB: TIME 12061.2 LOAD: AVG 0.193348 MAX 0.212764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.801 MB LDB: TIME 12061.2 LOAD: AVG 0.193348 MAX 0.212764 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: TIME 12061.2 LOAD: AVG 0.193348 MAX 0.212764 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: ============== END OF LOAD BALANCING =============== 12061.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12061.2 PRESSURE: 3732400 66.1991 24.3928 -84.5834 24.3933 128.749 -75.9166 -84.583 -75.9159 287.881 GPRESSURE: 3732400 52.3499 -53.8184 -85.061 8.16207 158.226 -63.6061 69.4289 76.3801 348.299 PRESSAVG: 3732400 67.5306 -51.758 9.28787 -51.758 -33.9897 23.1184 9.28791 23.1184 -3.67571 GPRESSAVG: 3732400 68.1551 -51.2154 7.99156 -52.4915 -34.8103 23.5043 9.6761 23.2433 -4.11875 TIMING: 3732400 CPU: 12049.1, 0.00405935/step Wall: 12049.1, 0.00405935/step, 1.42934 hours remaining, 232.910156 MB of memory in use. ENERGY: 3732400 3928.5911 20654.5400 14437.0317 240.2813 -203740.9347 2594.6837 0.0000 0.0000 51995.5381 -109890.2687 298.8191 -161885.8069 -109530.9326 298.7430 160.9430 186.2916 759438.7649 9.9551 9.7420 PRESSURE: 3732600 119.515 0.196501 -53.7004 0.19634 29.3552 -107.859 -53.6998 -107.857 201.603 GPRESSURE: 3732600 95.7428 -49.2364 27.7758 -7.01675 104.803 -106.814 -118.406 -46.455 224.924 PRESSAVG: 3732600 8.32128 -79.2593 83.9901 -79.2593 -61.8103 6.9823 83.9902 6.98232 12.5004 GPRESSAVG: 3732600 8.11478 -80.0749 83.5311 -80.4578 -62.7919 7.92424 83.7517 6.19267 13.5531 TIMING: 3732600 CPU: 12049.9, 0.00399138/step Wall: 12049.9, 0.00399138/step, 1.40519 hours remaining, 233.113281 MB of memory in use. ENERGY: 3732600 3967.2382 20365.5262 14470.5449 237.2351 -203204.3779 2510.4027 0.0000 0.0000 51782.1836 -109871.2470 297.5929 -161653.4307 -109508.1668 298.6877 116.8243 141.8231 760753.1172 -13.6629 -13.7080 PRESSURE: 3732800 194.02 -89.6375 33.4159 -89.6381 256.255 -17.6519 33.4153 -17.6513 -89.0525 GPRESSURE: 3732800 256.786 -54.4529 -3.8935 -96.9115 199.835 -7.43495 16.6957 -53.7473 -3.87235 PRESSAVG: 3732800 24.9827 -53.2712 15.0691 -53.2713 22.9086 35.6789 15.0691 35.6789 -16.3021 GPRESSAVG: 3732800 24.052 -52.9117 15.0208 -52.6247 24.2468 35.7526 13.9751 35.1198 -17.1294 TIMING: 3732800 CPU: 12050.7, 0.00401056/step Wall: 12050.7, 0.00401056/step, 1.41172 hours remaining, 233.316406 MB of memory in use. ENERGY: 3732800 3997.1855 20597.4206 14389.5377 241.6173 -203418.8912 2729.0454 0.0000 0.0000 51981.9620 -109482.1228 298.7411 -161464.0848 -109121.8971 298.7309 120.4077 150.9164 762159.3983 10.5297 10.3898 PRESSURE: 3733000 265.618 49.9242 -220.227 49.9247 26.2632 99.7502 -220.226 99.7497 585.013 GPRESSURE: 3733000 271.017 40.6431 -296.414 75.2419 105.23 39.0356 -125.119 33.7912 584.473 PRESSAVG: 3733000 72.3709 -73.1037 -19.0223 -73.1037 -33.4816 2.45937 -19.0223 2.45938 17.9306 GPRESSAVG: 3733000 72.715 -73.8434 -20.3946 -72.3806 -34.2711 2.58885 -16.877 3.35987 19.035 TIMING: 3733000 CPU: 12051.5, 0.00399249/step Wall: 12051.5, 0.00399249/step, 1.40513 hours remaining, 233.316406 MB of memory in use. ENERGY: 3733000 3977.7553 20504.2262 14346.1475 227.1703 -203632.2807 2798.2472 0.0000 0.0000 52268.9525 -109509.7816 300.3904 -161778.7341 -109137.6488 299.0737 292.2981 320.2400 761662.6049 18.9400 19.1596 PRESSURE: 3733200 264.532 32.9589 -168.439 32.958 -153.382 3.72913 -168.438 3.72861 -154.495 GPRESSURE: 3733200 307.726 9.24968 -170.771 44.8468 -49.8447 79.9108 -114.367 56.0899 -214.57 PRESSAVG: 3733200 23.7376 -3.9881 -15.8881 -3.98814 -36.8248 -6.84021 -15.8881 -6.84027 0.96853 GPRESSAVG: 3733200 24.1045 -1.42639 -15.6737 -6.2023 -37.2843 -6.54302 -18.2713 -8.48603 0.833419 TIMING: 3733200 CPU: 12052.3, 0.00400208/step Wall: 12052.3, 0.00400208/step, 1.40829 hours remaining, 233.316406 MB of memory in use. ENERGY: 3733200 4054.5854 20678.5057 14422.3843 237.0914 -203243.4137 2666.0234 0.0000 0.0000 51651.7409 -109533.0826 296.8433 -161184.8235 -109176.6051 298.9023 -14.4483 14.4371 760299.2179 -4.0396 -4.1154 PRESSURE: 3733400 -86.1839 11.9194 54.7569 11.919 -85.2379 -72.0753 54.7562 -72.0763 -147.16 GPRESSURE: 3733400 -24.8751 -7.99014 117.319 -34.5834 -120.295 30.0286 97.3964 -41.6858 -92.4731 PRESSAVG: 3733400 81.4402 -115.901 -29.3604 -115.901 -76.7706 40.8238 -29.3604 40.8238 26.4481 GPRESSAVG: 3733400 81.8519 -117.773 -28.9693 -116.774 -75.7774 39.1119 -27.9326 43.3673 25.1838 TIMING: 3733400 CPU: 12053.1, 0.00400606/step Wall: 12053.1, 0.00400606/step, 1.40947 hours remaining, 233.316406 MB of memory in use. ENERGY: 3733400 4030.8311 20513.9115 14466.5423 243.1369 -203065.9780 2315.3982 0.0000 0.0000 51922.0231 -109574.1348 298.3966 -161496.1579 -109221.1679 298.9417 -106.1939 -79.2145 761081.7026 10.3726 10.4194 PRESSURE: 3733600 -280.812 -193.399 399.688 -193.4 -278.967 161.891 399.688 161.89 -238.73 GPRESSURE: 3733600 -138.974 -50.8731 302.129 -113.629 -264.968 128.48 406.775 132.674 -315.546 PRESSAVG: 3733600 56.7947 -52.944 23.2878 -52.944 -99.0585 73.918 23.2879 73.918 2.76993 GPRESSAVG: 3733600 56.7479 -52.8739 23.4158 -50.841 -99.6948 74.2916 23.8757 74.364 3.35745 TIMING: 3733600 CPU: 12053.9, 0.00402734/step Wall: 12053.9, 0.00402734/step, 1.41673 hours remaining, 233.316406 MB of memory in use. ENERGY: 3733600 4077.3142 20549.7324 14417.5076 252.1223 -203168.9609 2451.2935 0.0000 0.0000 52135.8635 -109285.1275 299.6255 -161420.9910 -108921.7343 298.7938 -266.1696 -239.8293 761674.1490 -13.1646 -13.1965 PRESSURE: 3733800 80.8633 -107.684 2.83196 -107.685 -109.193 -3.38826 2.83267 -3.38852 -110.695 GPRESSURE: 3733800 167.98 -187.275 82.2241 -93.9916 -166.463 23.7705 -151.481 9.19214 -33.2149 PRESSAVG: 3733800 62.8158 -69.3743 27.2264 -69.3743 -64.7517 -60.594 27.2264 -60.594 -9.39758 GPRESSAVG: 3733800 61.9446 -69.2733 28.6655 -70.9772 -64.5448 -59.3019 27.4984 -59.6339 -8.81427 TIMING: 3733800 CPU: 12054.7, 0.0040322/step Wall: 12054.7, 0.0040322/step, 1.41821 hours remaining, 233.316406 MB of memory in use. ENERGY: 3733800 3960.3291 20751.5626 14471.3294 247.4329 -203237.0548 2246.1744 0.0000 0.0000 52472.1995 -109088.0269 301.5585 -161560.2264 -108734.5083 299.7347 -46.3417 -10.5662 762392.9534 -3.7778 -3.8048 PRESSURE: 3734000 -50.4262 -187.883 -151.525 -187.882 -303.326 109.333 -151.525 109.333 274.764 GPRESSURE: 3734000 -36.6907 -154.809 -134.183 -176.396 -197.029 118.454 -95.869 75.3445 257.211 PRESSAVG: 3734000 44.7755 -51.868 7.84595 -51.8679 -73.683 -24.4602 7.8459 -24.4603 1.03869 GPRESSAVG: 3734000 45.6196 -53.0642 7.64514 -49.3839 -73.9361 -27.3559 5.66434 -26.0281 0.0867727 TIMING: 3734000 CPU: 12055.5, 0.00399808/step Wall: 12055.5, 0.00399808/step, 1.40599 hours remaining, 233.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3734000 4005.3464 20652.0666 14454.8188 245.5840 -203377.0465 2746.1836 0.0000 0.0000 52204.6689 -109068.3783 300.0209 -161273.0472 -108705.7608 300.2962 -26.3294 7.8304 760476.7751 -9.2896 -9.4099 PRESSURE: 3734200 -13.0067 13.0699 107.306 13.0706 156.835 -82.0366 107.305 -82.0371 485.558 GPRESSURE: 3734200 70.4349 -43.5092 87.4829 -37.7007 147.132 -92.3379 154.74 -110.992 497.171 PRESSAVG: 3734200 87.2185 -3.57001 -13.1944 -3.56998 -84.4297 0.09044 -13.1944 0.0904697 -8.43294 GPRESSAVG: 3734200 86.1934 -1.92414 -13.268 -4.18054 -85.2235 1.03626 -10.9918 0.215851 -6.92641 TIMING: 3734200 CPU: 12056.3, 0.00403524/step Wall: 12056.3, 0.00403524/step, 1.41884 hours remaining, 233.316406 MB of memory in use. ENERGY: 3734200 4021.2880 20498.4810 14452.1478 242.2946 -203487.2021 2751.3112 0.0000 0.0000 52452.1278 -109069.5517 301.4431 -161521.6795 -108702.6914 300.6515 209.7956 238.2460 761479.6445 -1.8814 -1.9855 PRESSURE: 3734400 -46.2155 -162.994 97.5305 -162.995 -150.541 -174.926 97.5312 -174.926 -3.25337 GPRESSURE: 3734400 -22.4535 -196.001 184.546 -211.717 -106.722 -223.769 61.0104 -42.4342 41.2728 PRESSAVG: 3734400 74.7048 -64.4944 16.8497 -64.4944 -74.3196 -7.38395 16.8497 -7.38403 1.48161 GPRESSAVG: 3734400 76.0163 -66.0588 17.7742 -64.9716 -74.1007 -6.6511 16.2722 -6.15418 -0.212769 TIMING: 3734400 CPU: 12057.1, 0.00403403/step Wall: 12057.1, 0.00403403/step, 1.41819 hours remaining, 233.386719 MB of memory in use. ENERGY: 3734400 4006.8139 20529.6444 14492.8523 248.4301 -203155.1932 2490.7001 0.0000 0.0000 52065.3491 -109321.4032 299.2203 -161386.7523 -108950.9148 299.8520 -66.6699 -29.3009 761937.1008 0.6223 0.5676 PRESSURE: 3734600 -246.052 -10.3815 43.9166 -10.3817 -209.436 -1.18911 43.9169 -1.1887 54.0714 GPRESSURE: 3734600 -203.199 78.6258 62.5177 -116.52 -222.787 -44.9592 18.3506 -45.7096 109.121 PRESSAVG: 3734600 99.2808 -67.9561 40.0638 -67.9561 -78.875 2.14414 40.0638 2.14416 11.0121 GPRESSAVG: 3734600 99.0432 -67.1091 39.8677 -68.5155 -77.8197 0.772752 37.292 2.04907 10.7739 TIMING: 3734600 CPU: 12057.9, 0.00403025/step Wall: 12057.9, 0.00403025/step, 1.41663 hours remaining, 233.386719 MB of memory in use. ENERGY: 3734600 3967.7100 20489.0653 14462.9606 236.9903 -203317.9985 2572.9478 0.0000 0.0000 52218.5082 -109369.8163 300.1005 -161588.3244 -108999.1831 299.7746 -133.8055 -105.6217 761914.8386 10.4726 10.6658 PRESSURE: 3734800 129.003 -86.3833 48.799 -86.3832 20.3626 -14.4119 48.7993 -14.4115 -5.68634 GPRESSURE: 3734800 178.017 -135.143 24.4016 -29.5167 106.368 29.7902 75.7427 -131.274 -58.8097 PRESSAVG: 3734800 95.3415 -6.54095 34.6686 -6.5409 -139.096 12.562 34.6686 12.562 -18.4004 GPRESSAVG: 3734800 96.1834 -7.07899 34.2116 -5.57601 -140.673 12.6833 38.0325 12.6119 -18.4142 TIMING: 3734800 CPU: 12058.7, 0.00403899/step Wall: 12058.7, 0.00403899/step, 1.41948 hours remaining, 233.386719 MB of memory in use. ENERGY: 3734800 3958.6121 20465.9363 14512.1676 243.4729 -203017.9536 2349.5291 0.0000 0.0000 52015.2960 -109472.9395 298.9326 -161488.2356 -109103.8264 299.5972 47.8930 75.1919 761427.1117 -20.7181 -20.9680 PRESSURE: 3735000 -279.752 181.593 -268.637 181.592 -198.532 56.4315 -268.637 56.4323 -197.704 GPRESSURE: 3735000 -210.918 49.6513 -354.869 93.5574 -170.565 143.408 -178.472 75.1311 -198.985 PRESSAVG: 3735000 64.8968 5.07364 -24.7322 5.07364 -16.7201 12.8175 -24.7322 12.8175 12.9042 GPRESSAVG: 3735000 63.0776 5.31566 -23.9652 4.98537 -16.0331 14.6094 -23.7459 9.66227 14.0668 TIMING: 3735000 CPU: 12059.5, 0.00401874/step Wall: 12059.5, 0.00401874/step, 1.41214 hours remaining, 233.386719 MB of memory in use. ENERGY: 3735000 3985.9368 20652.5760 14481.2725 245.0446 -203180.3253 2387.5039 0.0000 0.0000 51868.7046 -109559.2869 298.0902 -161427.9916 -109201.8874 299.1481 -225.3295 -193.4894 759959.7101 20.3603 20.3704 PRESSURE: 3735200 64.5281 -34.5918 11.1875 -34.5914 116.463 143.194 11.1884 143.194 -64.9197 GPRESSURE: 3735200 39.2077 -23.3446 12.0258 12.2254 210.871 147.339 17.4757 43.0741 -48.4002 PRESSAVG: 3735200 40.9304 -12.397 -18.3247 -12.397 -23.1485 -8.53035 -18.3248 -8.53044 -14.548 GPRESSAVG: 3735200 41.0201 -12.4414 -20.3149 -12.9374 -23.6915 -9.42805 -17.3986 -6.00407 -14.5321 TIMING: 3735200 CPU: 12060.3, 0.00401799/step Wall: 12060.3, 0.00401799/step, 1.41166 hours remaining, 233.386719 MB of memory in use. ENERGY: 3735200 3994.4788 20379.9934 14534.9024 268.2655 -203476.0432 2593.7185 0.0000 0.0000 52029.0032 -109675.6814 299.0114 -161704.6846 -109308.4194 298.6636 38.6903 67.2261 759349.3908 1.0780 0.9322 PRESSURE: 3735400 154.705 187.5 146.026 187.5 22.1126 -152.895 146.026 -152.895 147.956 GPRESSURE: 3735400 157.222 100.678 162.28 205.074 56.2234 -92.9063 36.7849 -136.012 188.089 PRESSAVG: 3735400 58.3401 -44.7939 33.2769 -44.7939 -10.1791 -41.0956 33.2769 -41.0957 21.0242 GPRESSAVG: 3735400 58.4049 -45.6536 35.2944 -42.6934 -9.68776 -42.5721 30.3436 -38.7701 20.2596 TIMING: 3735400 CPU: 12061.1, 0.00400725/step Wall: 12061.1, 0.00400725/step, 1.40766 hours remaining, 233.386719 MB of memory in use. ENERGY: 3735400 4038.5021 20652.8128 14462.8583 249.8496 -203785.8105 2750.6296 0.0000 0.0000 52050.3647 -109580.7935 299.1342 -161631.1582 -109222.3310 298.8573 108.2577 133.8448 760682.6375 23.0617 22.9923 PRESSURE: 3735600 -275.391 -121.352 62.0773 -121.353 -50.3297 -11.107 62.0781 -11.1076 -76.0697 GPRESSURE: 3735600 -308.681 -188.676 36.7211 -166.704 107.477 71.2542 -29.0926 101.589 -97.1044 PRESSAVG: 3735600 47.8898 -25.4126 -5.40533 -25.4126 -48.1236 9.17378 -5.40536 9.17379 -15.0316 GPRESSAVG: 3735600 48.4715 -24.6454 -7.53152 -29.0773 -48.7858 10.9982 -4.63238 6.92381 -15.263 TIMING: 3735600 CPU: 12061.9, 0.00399236/step Wall: 12061.9, 0.00399236/step, 1.40221 hours remaining, 233.386719 MB of memory in use. ENERGY: 3735600 4018.4193 20503.2664 14449.3900 244.8504 -203439.6901 2591.8373 0.0000 0.0000 52122.6642 -109509.2625 299.5497 -161631.9266 -109138.9946 299.4248 -133.9301 -99.4364 759482.3927 -5.0885 -5.1924 PRESSURE: 3735800 175.086 19.2856 127.314 19.2849 -189.346 102.523 127.314 102.523 -187.05 GPRESSURE: 3735800 240.35 -57.941 227.698 98.3457 -228.343 157.495 56.0799 27.1069 -140.268 PRESSAVG: 3735800 56.8429 -31.6049 27.4725 -31.6049 -19.6402 3.64829 27.4726 3.64834 -22.8753 GPRESSAVG: 3735800 56.8278 -33.0074 29.1582 -29.8259 -20.7826 1.32651 26.4162 3.2861 -21.9302 TIMING: 3735800 CPU: 12062.7, 0.00401765/step Wall: 12062.7, 0.00401765/step, 1.41087 hours remaining, 233.386719 MB of memory in use. ENERGY: 3735800 3989.6228 20633.8897 14524.5710 263.1127 -203173.9241 2460.0634 0.0000 0.0000 52071.9361 -109230.7284 299.2581 -161302.6645 -108863.4183 299.8762 -67.1032 -42.7537 760347.7515 4.7758 4.7050 PRESSURE: 3736000 -48.4573 15.4647 -105.452 15.4641 -299.305 182.314 -105.451 182.315 -78.4443 GPRESSURE: 3736000 26.1196 19.2634 -37.4015 -28.0851 -307.78 126.012 -9.15359 97.0786 -59.2992 PRESSAVG: 3736000 17.8002 -20.1303 66.0847 -20.1302 -29.3638 51.6405 66.0847 51.6406 -3.19874 GPRESSAVG: 3736000 16.8483 -19.8619 63.8994 -20.8967 -27.5661 54.2773 66.5638 51.883 -3.9904 TIMING: 3736000 CPU: 12063.5, 0.00402081/step Wall: 12063.5, 0.00402081/step, 1.41175 hours remaining, 233.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3736000 3936.4685 20466.2881 14570.3565 265.5124 -202818.7453 2440.9838 0.0000 0.0000 51855.2037 -109283.9323 298.0126 -161139.1360 -108927.2064 299.5634 -142.0689 -113.6532 760903.3673 -4.9208 -4.9027 PRESSURE: 3736200 287.128 -73.4441 -177.698 -73.4436 -29.6858 -95.0863 -177.697 -95.0862 307.599 GPRESSURE: 3736200 309.947 -92.0555 -174.994 -60.8009 -16.8415 -125.566 -75.8408 -11.1931 351.361 PRESSAVG: 3736200 32.0689 -12.8842 10.6605 -12.8842 -3.83242 7.61813 10.6604 7.61816 8.93197 GPRESSAVG: 3736200 32.5249 -13.4801 12.481 -12.2466 -4.2154 6.70332 11.8918 7.37095 9.06763 TIMING: 3736200 CPU: 12064.3, 0.0039917/step Wall: 12064.3, 0.0039917/step, 1.40131 hours remaining, 233.386719 MB of memory in use. ENERGY: 3736200 3930.1275 20484.7793 14464.1175 266.6325 -203183.1522 2655.4155 0.0000 0.0000 52053.3143 -109328.7656 299.1511 -161382.0799 -108969.2853 299.8025 188.3470 214.8222 762845.6097 12.3895 12.4590 LDB: ============= START OF LOAD BALANCING ============== 12076.8 LDB: ============== END OF LOAD BALANCING =============== 12076.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12076.8 LDB: ============= START OF LOAD BALANCING ============== 12077.2 LDB: Largest compute 7068 load 0.031706 is 16.4% of average load 0.193285 LDB: Average compute 0.004472 is 2.3% of average load 0.193285 LDB: TIME 12077.2 LOAD: AVG 0.193285 MAX 0.214142 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.93 MB LDB: TIME 12077.2 LOAD: AVG 0.193285 MAX 0.214142 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: TIME 12077.2 LOAD: AVG 0.193285 MAX 0.214142 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: ============== END OF LOAD BALANCING =============== 12077.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12077.2 PRESSURE: 3736400 287.313 -55.9632 -31.5367 -55.9637 63.6343 -10.2716 -31.5373 -10.2722 -129.634 GPRESSURE: 3736400 356.056 -43.6472 65.1867 -170.564 27.5473 -25.402 -127.81 -41.0892 -76.5516 PRESSAVG: 3736400 14.379 -49.1375 40.4491 -49.1375 -37.6717 32.4829 40.4491 32.483 1.80524 GPRESSAVG: 3736400 14.143 -48.2353 38.8976 -50.6957 -39.0161 31.678 41.2837 34.8208 3.13316 TIMING: 3736400 CPU: 12065.1, 0.00405138/step Wall: 12065.1, 0.00405138/step, 1.42203 hours remaining, 234.082031 MB of memory in use. ENERGY: 3736400 3903.8310 20595.8459 14557.4126 252.5849 -203607.2408 2711.8482 0.0000 0.0000 52069.4591 -109516.2590 299.2439 -161585.7181 -109158.6067 299.3166 73.7714 102.3506 762323.2073 -7.1625 -7.2466 PRESSURE: 3736600 104.136 -116.105 -311.944 -116.106 -61.8347 185.525 -311.943 185.525 378.851 GPRESSURE: 3736600 216.209 20.2102 -311.9 -85.797 -67.8979 173.365 -287.084 160.916 369.801 PRESSAVG: 3736600 75.283 -32.705 -7.95023 -32.7051 -65.8051 -22.3235 -7.95032 -22.3236 0.823337 GPRESSAVG: 3736600 75.6997 -32.4465 -6.14641 -30.4801 -65.217 -21.8811 -7.92282 -22.6145 -0.00177047 TIMING: 3736600 CPU: 12065.9, 0.00401079/step Wall: 12065.9, 0.0040108/step, 1.40757 hours remaining, 234.082031 MB of memory in use. ENERGY: 3736600 3922.4361 20550.0180 14521.6228 235.9175 -203761.5869 2923.2899 0.0000 0.0000 52055.2136 -109553.0889 299.1620 -161608.3026 -109187.5144 298.8474 140.3844 172.7040 762267.2200 3.4337 3.4936 PRESSURE: 3736800 258.327 32.0467 22.2206 32.0467 71.2704 182.24 22.2207 182.241 264.968 GPRESSURE: 3736800 281.434 43.0876 -14.2085 101.378 141.471 142.9 77.8058 287.094 260.559 PRESSAVG: 3736800 -22.8937 -27.4784 -15.1462 -27.4784 -9.45649 59.3188 -15.1463 59.3187 11.4987 GPRESSAVG: 3736800 -23.5316 -23.473 -16.0733 -29.1138 -7.70705 60.5456 -15.2307 58.1163 10.1478 TIMING: 3736800 CPU: 12066.7, 0.00402324/step Wall: 12066.7, 0.00402324/step, 1.41171 hours remaining, 234.082031 MB of memory in use. ENERGY: 3736800 3875.5802 20330.2412 14567.9151 239.7135 -202561.3756 2288.1361 0.0000 0.0000 52056.3179 -109203.4716 299.1684 -161259.7895 -108834.9359 299.3600 198.1882 227.8211 762806.2149 -6.9505 -7.0303 PRESSURE: 3737000 -81.3516 -9.85505 -11.0132 -9.85465 42.7887 -124.052 -11.0126 -124.054 76.0471 GPRESSURE: 3737000 76.3567 -145.885 -22.602 -74.3114 -27.2418 -66.7599 -12.9179 -300.263 82.1354 PRESSAVG: 3737000 15.7307 -26.294 11.3826 -26.2941 -59.2244 -28.7297 11.3826 -28.7299 12.8384 GPRESSAVG: 3737000 15.7405 -31.6684 10.3598 -25.7294 -60.4676 -29.0098 11.0091 -29.525 14.0528 TIMING: 3737000 CPU: 12067.5, 0.00401695/step Wall: 12067.5, 0.00401695/step, 1.40928 hours remaining, 234.082031 MB of memory in use. ENERGY: 3737000 4013.0380 20367.3902 14506.9965 220.3923 -202869.8560 2519.3499 0.0000 0.0000 51904.6020 -109338.0871 298.2965 -161242.6891 -108970.4723 299.5560 12.4947 43.7501 762678.7777 -10.2184 -10.2248 PRESSURE: 3737200 108.857 -163.481 13.0187 -163.48 -10.4735 138.8 13.0181 138.8 258.191 GPRESSURE: 3737200 188.259 -160.89 64.0947 -183.49 34.5874 174.557 -54.0781 30.7733 201.313 PRESSAVG: 3737200 16.348 -10.4479 -0.562311 -10.4479 -49.1399 15.7358 -0.56227 15.7357 23.3274 GPRESSAVG: 3737200 17.5579 -10.0425 0.57179 -10.1232 -50.3218 14.8341 -2.27378 17.5997 23.1225 TIMING: 3737200 CPU: 12068.3, 0.00401588/step Wall: 12068.3, 0.00401588/step, 1.40868 hours remaining, 234.082031 MB of memory in use. ENERGY: 3737200 3921.4748 20435.8193 14516.7661 240.6886 -203110.7684 2449.5097 0.0000 0.0000 52307.7646 -109238.7452 300.6134 -161546.5098 -108878.3343 299.6070 118.8580 141.3863 761209.7482 -3.1548 -3.2138 PRESSURE: 3737400 183.668 86.6501 -72.248 86.6503 -229.576 -177.393 -72.2478 -177.394 13.0241 GPRESSURE: 3737400 155.651 33.3849 -8.60543 101.194 -88.5569 -75.2478 -93.612 -47.3567 -2.30005 PRESSAVG: 3737400 23.8321 -9.82547 -8.32526 -9.82552 24.9386 65.0443 -8.32528 65.0443 7.61709 GPRESSAVG: 3737400 22.9285 -8.77424 -7.84043 -11.4121 26.7345 66.9571 -6.84553 63.4708 7.38799 TIMING: 3737400 CPU: 12069.1, 0.00401001/step Wall: 12069.1, 0.00401001/step, 1.4064 hours remaining, 234.082031 MB of memory in use. ENERGY: 3737400 3923.4205 20393.1613 14536.8451 224.1463 -203387.2882 2808.7738 0.0000 0.0000 52159.7313 -109341.2097 299.7627 -161500.9411 -108979.0519 299.7454 -10.9611 21.5980 762267.8093 18.7959 19.0170 PRESSURE: 3737600 -48.875 -93.0927 -97.0911 -93.0933 552.627 5.56477 -97.0913 5.5637 130.84 GPRESSURE: 3737600 15.8882 -86.1712 -44.8086 -43.6194 546.253 -125.913 -145.942 66.5714 170.013 PRESSAVG: 3737600 55.0843 -24.1478 -3.20467 -24.148 -58.692 29.7661 -3.20473 29.7661 15.0357 GPRESSAVG: 3737600 54.2587 -25.8654 -3.17333 -22.3866 -58.093 30.1817 -2.02364 30.0033 15.2822 TIMING: 3737600 CPU: 12069.9, 0.00400852/step Wall: 12069.9, 0.00400852/step, 1.40565 hours remaining, 234.082031 MB of memory in use. ENERGY: 3737600 4037.2465 20473.0664 14532.2539 244.0832 -203379.2178 3063.8801 0.0000 0.0000 51868.7962 -109159.8917 298.0907 -161028.6879 -108790.4881 299.3698 211.5308 244.0515 762593.6714 3.8093 3.8160 PRESSURE: 3737800 -161.419 -79.5366 106.265 -79.5371 -97.0708 35.2779 106.265 35.2784 -37.2803 GPRESSURE: 3737800 -92.6645 -40.9862 50.4209 -99.1409 -67.5053 0.715117 79.2785 22.1702 -54.3706 PRESSAVG: 3737800 13.7763 1.77369 17.934 1.77367 8.31173 37.4546 17.934 37.4546 13.3223 GPRESSAVG: 3737800 14.9655 2.65357 17.6103 1.34867 6.19832 36.0878 16.1664 37.5153 13.6178 TIMING: 3737800 CPU: 12070.8, 0.00402685/step Wall: 12070.8, 0.00402685/step, 1.41186 hours remaining, 234.082031 MB of memory in use. ENERGY: 3737800 3939.8488 20722.8820 14519.6410 239.5412 -202747.6570 2222.8641 0.0000 0.0000 51923.3508 -109179.5290 298.4042 -161102.8798 -108813.9863 299.9934 -98.5901 -71.5135 761276.1242 11.8034 11.5939 PRESSURE: 3738000 155.056 99.4921 -61.16 99.491 38.5246 -59.9443 -61.1601 -59.9443 9.88985 GPRESSURE: 3738000 80.2171 -52.3375 -31.2201 119.939 10.3627 1.33393 36.0507 -92.0958 188.195 PRESSAVG: 3738000 24.1649 -36.2246 73.8362 -36.2246 -42.4077 -23.8085 73.8361 -23.8083 11.0784 GPRESSAVG: 3738000 23.6526 -35.1409 73.6882 -36.8651 -41.9836 -24.4843 76.3516 -23.4009 11.5007 TIMING: 3738000 CPU: 12071.6, 0.00405636/step Wall: 12071.6, 0.00405636/step, 1.42198 hours remaining, 234.082031 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: 3738000 3968.4560 20484.5160 14435.6854 267.3205 -203049.1678 2616.8247 0.0000 0.0000 52054.2975 -109222.0676 299.1568 -161276.3652 -108859.4429 299.6175 67.8235 92.9249 760793.9257 -2.3881 -2.2768 PRESSURE: 3738200 -351.138 -237.465 -66.2497 -237.465 46.3857 -337.96 -66.249 -337.959 -33.1731 GPRESSURE: 3738200 -266.917 -262.685 -107.282 -291.858 44.0127 -277.924 -56.412 -246.036 -22.3658 PRESSAVG: 3738200 17.1336 -9.25607 27.4684 -9.25607 -24.2939 -34.4046 27.4684 -34.4046 1.83157 GPRESSAVG: 3738200 17.4767 -7.75799 26.5364 -8.87682 -23.3668 -33.1017 24.7726 -34.0759 0.218553 TIMING: 3738200 CPU: 12072.4, 0.00407303/step Wall: 12072.4, 0.00407303/step, 1.4276 hours remaining, 234.082031 MB of memory in use. ENERGY: 3738200 3978.2891 20423.8943 14525.0911 263.3074 -202815.9414 2277.2522 0.0000 0.0000 52114.2398 -109233.8675 299.5013 -161348.1073 -108870.3084 300.0158 -112.6418 -81.7567 761224.9508 -1.7762 -1.8905 PRESSURE: 3738400 -307.018 -176.586 58.4167 -176.585 -261.454 34.2453 58.4164 34.2467 5.03869 GPRESSURE: 3738400 -238.468 -256.982 127.186 31.7786 -207.886 -27.0966 116.881 -15.5904 -31.6612 PRESSAVG: 3738400 19.0542 -31.9347 63.1674 -31.9348 -27.0232 30.3688 63.1674 30.3688 12.4405 GPRESSAVG: 3738400 19.655 -33.2491 63.9308 -30.5701 -26.4814 29.9558 63.7702 28.9016 11.3008 TIMING: 3738400 CPU: 12073.2, 0.0040244/step Wall: 12073.2, 0.0040244/step, 1.41033 hours remaining, 234.082031 MB of memory in use. ENERGY: 3738400 4049.5090 20547.0872 14493.0446 260.7178 -203293.8805 2527.2093 0.0000 0.0000 52026.9287 -109389.3840 298.9995 -161416.3127 -109035.5787 299.7722 -187.8112 -159.3386 761191.2824 1.4905 1.4914 PRESSURE: 3738600 -228.244 -123.829 -160.312 -123.829 -242.333 37.8527 -160.311 37.8521 -181.651 GPRESSURE: 3738600 -209.078 -134.88 -95.4493 -144.501 -224.158 4.96223 -178.495 91.4273 -131.981 PRESSAVG: 3738600 19.7947 -42.2782 12.7345 -42.2781 -10.7671 4.58328 12.7346 4.58328 -7.69562 GPRESSAVG: 3738600 18.5516 -42.6184 12.1342 -43.983 -10.4226 4.67572 14.999 6.48201 -6.42035 TIMING: 3738600 CPU: 12074, 0.00403095/step Wall: 12074, 0.00403095/step, 1.4124 hours remaining, 234.082031 MB of memory in use. ENERGY: 3738600 4005.5260 20593.8817 14474.6135 246.0447 -202697.1478 2066.7714 0.0000 0.0000 51932.5255 -109377.7850 298.4569 -161310.3105 -109022.3429 299.6787 -217.4092 -188.4059 760481.8446 0.4440 0.5695 PRESSURE: 3738800 -76.1302 -7.73029 198.707 -7.73056 -100.046 223.185 198.707 223.186 -118.047 GPRESSURE: 3738800 -33.3915 56.275 262.489 -60.7584 -106.487 201.573 146.671 105.348 -74.0577 PRESSAVG: 3738800 52.9157 7.26349 22.2877 7.26351 -24.5992 -7.9451 22.2878 -7.94501 -11.6161 GPRESSAVG: 3738800 54.3811 8.98989 21.9994 7.4769 -25.3993 -6.22577 20.6311 -9.39525 -12.4474 TIMING: 3738800 CPU: 12074.8, 0.00401771/step Wall: 12074.8, 0.00401771/step, 1.40754 hours remaining, 234.082031 MB of memory in use. ENERGY: 3738800 4019.8648 20516.7765 14481.5143 254.3429 -203208.3186 2223.7247 0.0000 0.0000 52156.8407 -109555.2546 299.7461 -161712.0953 -109187.6103 299.1126 -98.0745 -71.3122 760659.8779 5.5668 5.5115 PRESSURE: 3739000 -162.762 -149.236 75.8563 -149.236 -66.1286 -142.142 75.8564 -142.141 44.7865 GPRESSURE: 3739000 -90.4515 -155.752 63.4675 -107.304 -2.33579 -69.4102 71.8782 -253.457 15.4728 PRESSAVG: 3739000 -21.3207 -9.80144 -1.39038 -9.80141 16.1879 71.853 -1.39047 71.853 29.0461 GPRESSAVG: 3739000 -20.3641 -9.74796 -0.313972 -9.7836 16.6381 72.1287 -0.454347 70.0051 28.4492 TIMING: 3739000 CPU: 12075.6, 0.00403577/step Wall: 12075.6, 0.00403577/step, 1.41364 hours remaining, 234.082031 MB of memory in use. ENERGY: 3739000 3889.1232 20508.8670 14481.8224 246.3995 -203330.6056 2556.6866 0.0000 0.0000 51996.9191 -109650.7878 298.8270 -161647.7068 -109289.8873 298.3580 -61.3679 -25.7715 761531.7805 7.9711 8.2411 PRESSURE: 3739200 -326.816 169.599 138.262 169.599 -286.113 162.657 138.262 162.658 -195.916 GPRESSURE: 3739200 -233.769 111.613 190.248 34.5283 -257.013 247.852 22.7836 30.5342 -220.033 PRESSAVG: 3739200 -12.9808 7.8651 13.3294 7.8651 -0.0763426 37.6772 13.3293 37.6772 8.4387 GPRESSAVG: 3739200 -14.8973 6.15817 11.118 8.24291 0.19202 37.0621 12.4335 39.1165 10.3718 TIMING: 3739200 CPU: 12076.4, 0.00402141/step Wall: 12076.4, 0.00402141/step, 1.40839 hours remaining, 234.082031 MB of memory in use. ENERGY: 3739200 3970.7391 20470.3856 14481.8300 247.9799 -202762.6495 2059.3060 0.0000 0.0000 52228.8811 -109303.5278 300.1601 -161532.4089 -108933.7624 299.0635 -269.6151 -236.9386 761340.6176 -1.5395 -1.4445 PRESSURE: 3739400 -262.008 319.29 74.6266 319.29 -193.408 -42.1274 74.6261 -42.127 -173.782 GPRESSURE: 3739400 -262.029 243.738 -64.927 298.29 -118.611 14.3839 163.841 118.044 -160.979 PRESSAVG: 3739400 8.96456 -12.9944 -21.0951 -12.9944 -38.0828 -5.02147 -21.0951 -5.02159 3.07945 GPRESSAVG: 3739400 8.91456 -9.48642 -20.7345 -14.664 -37.8496 -5.3785 -17.1221 -2.46401 1.77182 TIMING: 3739400 CPU: 12077.2, 0.00402964/step Wall: 12077.2, 0.00402964/step, 1.41105 hours remaining, 234.082031 MB of memory in use. ENERGY: 3739400 4070.1470 20507.4593 14475.0170 251.9264 -203216.6802 2536.3283 0.0000 0.0000 51939.4251 -109436.3771 298.4966 -161375.8022 -109063.8701 299.8896 -209.7327 -180.5395 761836.6676 -8.6796 -9.0544 PRESSURE: 3739600 -1.90775 -37.228 -42.1006 -37.2284 -43.0018 175.774 -42.1003 175.773 160.639 GPRESSURE: 3739600 14.1373 -166.387 32.4811 -147.785 18.1594 76.2445 -89.2664 12.8607 170.278 PRESSAVG: 3739600 -23.9075 17.7978 -5.56412 17.7978 2.09264 27.8686 -5.56411 27.8686 4.50105 GPRESSAVG: 3739600 -24.0783 14.8537 -4.65438 18.9078 3.147 28.657 -8.28795 24.3927 4.20262 TIMING: 3739600 CPU: 12078, 0.00403273/step Wall: 12078, 0.00403273/step, 1.4119 hours remaining, 234.082031 MB of memory in use. ENERGY: 3739600 3968.8936 20665.6648 14417.9552 253.3949 -203360.4097 2579.6829 0.0000 0.0000 52139.1884 -109335.6298 299.6446 -161474.8182 -108981.6118 299.1242 38.5765 67.5249 761791.2354 -5.7713 -5.5762 PRESSURE: 3739800 155.076 -30.551 124.961 -30.5511 220.68 27.8371 124.961 27.8369 -141.489 GPRESSURE: 3739800 171.853 -18.8977 148.333 -55.122 233.558 -58.6427 60.8345 69.9049 -87.0135 PRESSAVG: 3739800 -13.2251 -42.2163 22.5826 -42.2163 7.20327 19.5618 22.5825 19.5618 11.3055 GPRESSAVG: 3739800 -12.3009 -42.6905 22.8275 -41.1147 5.14323 19.634 22.5447 19.2394 12.0438 TIMING: 3739800 CPU: 12078.8, 0.00402233/step Wall: 12078.8, 0.00402233/step, 1.40804 hours remaining, 234.082031 MB of memory in use. ENERGY: 3739800 3955.1581 20623.3522 14496.8552 253.7326 -203378.5165 2626.9179 0.0000 0.0000 52141.0290 -109281.4715 299.6552 -161422.5005 -108927.0513 299.3579 78.0891 106.1325 761761.7624 1.7612 1.6287 PRESSURE: 3740000 -32.2148 88.7317 -17.8873 88.731 -68.9473 80.3958 -17.8879 80.3961 -44.9849 GPRESSURE: 3740000 11.8576 179.103 -30.5588 30.255 -40.4236 76.4112 -15.6215 -23.2238 -35.7445 PRESSAVG: 3740000 92.2168 -42.9567 34.3014 -42.9568 -47.6752 15.1506 34.3013 15.1506 -34.0973 GPRESSAVG: 3740000 92.2846 -40.7705 33.4933 -44.9004 -47.8506 15.2071 32.4799 16.2562 -34.5588 TIMING: 3740000 CPU: 12079.6, 0.00404785/step Wall: 12079.6, 0.00404785/step, 1.41675 hours remaining, 234.082031 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: 3740000 3946.0417 20548.4666 14424.3925 257.8507 -203241.0874 2469.0867 0.0000 0.0000 52172.8023 -109422.4469 299.8378 -161595.2492 -109060.7231 299.5906 -48.7157 -21.4369 762452.0537 3.4814 3.2917 PRESSURE: 3740200 -150.899 -131.729 -183.963 -131.729 -467.312 -32.3559 -183.963 -32.3561 -125.339 GPRESSURE: 3740200 -137.212 -126.644 -208.737 -98.4649 -451.82 4.43534 -172.077 41.9081 -93.3658 PRESSAVG: 3740200 57.8978 -33.3449 -51.4441 -33.3449 -82.2717 -9.46524 -51.4442 -9.46523 7.27654 GPRESSAVG: 3740200 57.2444 -33.3525 -52.1793 -31.7271 -81.6659 -9.23718 -49.3047 -9.1837 7.04986 TIMING: 3740200 CPU: 12080.4, 0.00401551/step Wall: 12080.4, 0.00401551/step, 1.4052 hours remaining, 234.082031 MB of memory in use. ENERGY: 3740200 4021.3415 20513.7148 14489.9869 238.2866 -202904.5878 2128.7279 0.0000 0.0000 52067.4773 -109445.0528 299.2325 -161512.5300 -109084.3309 299.0539 -247.8501 -227.4658 762428.5592 -5.6991 -5.7906 LDB: ============= START OF LOAD BALANCING ============== 12092.9 LDB: ============== END OF LOAD BALANCING =============== 12092.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12092.9 LDB: ============= START OF LOAD BALANCING ============== 12093.3 LDB: Largest compute 7068 load 0.033467 is 17.3% of average load 0.193338 LDB: Average compute 0.004485 is 2.3% of average load 0.193338 LDB: TIME 12093.3 LOAD: AVG 0.193338 MAX 0.21422 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.891 MB LDB: TIME 12093.3 LOAD: AVG 0.193338 MAX 0.21422 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: TIME 12093.3 LOAD: AVG 0.193338 MAX 0.21422 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: ============== END OF LOAD BALANCING =============== 12093.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12093.4 PRESSURE: 3740400 67.7202 -248.557 24.686 -248.556 -81.5036 114.523 24.6858 114.522 -145.477 GPRESSURE: 3740400 61.5459 -273.865 5.81061 -217.286 70.544 95.3999 -7.39674 52.9845 -217.28 PRESSAVG: 3740400 42.5305 -57.3998 -53.5561 -57.3998 -79.6624 -3.73746 -53.5561 -3.73745 9.21887 GPRESSAVG: 3740400 42.1267 -59.1332 -51.2173 -57.0957 -80.4307 -4.35073 -54.7364 -2.45644 10.4677 TIMING: 3740400 CPU: 12081.3, 0.00406967/step Wall: 12081.3, 0.00406967/step, 1.42393 hours remaining, 233.757812 MB of memory in use. ENERGY: 3740400 3965.8215 20474.2845 14429.3949 245.7717 -203117.7623 2391.7892 0.0000 0.0000 52071.1712 -109539.5293 299.2537 -161610.7006 -109179.3379 298.8025 -53.0868 -28.3966 758359.9374 -9.3043 -9.2788 PRESSURE: 3740600 -113.441 -162.031 -174.097 -162.03 -325.353 -7.02066 -174.096 -7.02057 109.563 GPRESSURE: 3740600 -66.7603 -231.03 -136.992 -25.5497 -286.043 49.0812 -125.258 -25.669 131.461 PRESSAVG: 3740600 102.074 -44.142 -11.474 -44.142 -37.3717 -12.7224 -11.474 -12.7224 -1.07369 GPRESSAVG: 3740600 102.279 -44.114 -12.3793 -45.8961 -37.2437 -11.4282 -10.4108 -14.9063 -0.827909 TIMING: 3740600 CPU: 12082.1, 0.00400953/step Wall: 12082.1, 0.00400953/step, 1.40267 hours remaining, 233.960938 MB of memory in use. ENERGY: 3740600 3882.8821 20622.3047 14457.4667 264.6558 -202885.1856 2329.4316 0.0000 0.0000 51897.3746 -109431.0702 298.2549 -161328.4448 -109066.9673 298.4743 -109.7438 -73.7810 760013.7191 21.2096 21.4024 PRESSURE: 3740800 125.532 16.2267 -95.8597 16.2263 174.422 45.193 -95.8593 45.1932 321.924 GPRESSURE: 3740800 157.129 -20.706 -161.352 -6.21016 174.14 -19.32 64.5804 250.229 383.147 PRESSAVG: 3740800 1.52513 -104.402 1.41719 -104.402 -7.21342 -24.8895 1.41718 -24.8895 -8.78584 GPRESSAVG: 3740800 1.09918 -104.825 1.04375 -102.891 -7.07741 -25.6329 3.1325 -24.6205 -8.45059 TIMING: 3740800 CPU: 12082.9, 0.00401244/step Wall: 12082.9, 0.00401244/step, 1.40346 hours remaining, 233.960938 MB of memory in use. ENERGY: 3740800 3920.5432 20455.5906 14488.4838 245.8295 -203081.8345 2604.6110 0.0000 0.0000 52142.9840 -109223.7924 299.6664 -161366.7764 -108862.8492 299.0070 207.2925 238.1383 760250.0995 -4.8247 -4.8096 PRESSURE: 3741000 -158.612 -4.47718 -4.7973 -4.47771 -132.925 -187.14 -4.79711 -187.14 -229.481 GPRESSURE: 3741000 -118.713 69.5042 -30.8486 -34.9649 -104.089 -196.723 30.9094 -190.322 -226.178 PRESSAVG: 3741000 47.6387 -0.170858 19.9549 -0.170871 -32.3513 -31.3472 19.9549 -31.3472 10.5236 GPRESSAVG: 3741000 47.3066 0.767913 20.9777 -0.534328 -31.9519 -33.3404 17.7413 -31.1236 10.6421 TIMING: 3741000 CPU: 12083.7, 0.00400821/step Wall: 12083.7, 0.00400821/step, 1.40176 hours remaining, 233.960938 MB of memory in use. ENERGY: 3741000 3949.7074 20567.9433 14490.4431 237.8748 -203114.4938 2310.6622 0.0000 0.0000 52122.9723 -109434.8906 299.5514 -161557.8629 -109071.6949 299.8704 -173.6727 -149.6599 759013.0821 8.6037 8.6656 PRESSURE: 3741200 261.802 4.65323 32.1891 4.65297 72.1443 -36.7923 32.1896 -36.7917 -217.185 GPRESSURE: 3741200 245.299 -56.796 52.6808 -13.7658 156.315 51.5363 91.4381 -51.8032 -176.77 PRESSAVG: 3741200 15.9852 -4.13782 2.38128 -4.13785 -25.2863 20.4801 2.38127 20.4802 22.6835 GPRESSAVG: 3741200 16.5194 -3.90587 1.77429 -4.51145 -25.0854 23.8603 2.93654 17.3558 22.0937 TIMING: 3741200 CPU: 12084.5, 0.0040237/step Wall: 12084.5, 0.0040237/step, 1.40695 hours remaining, 233.960938 MB of memory in use. ENERGY: 3741200 4025.3373 20484.8436 14618.5261 242.5447 -203245.7959 2435.5493 0.0000 0.0000 52169.6156 -109269.3794 299.8195 -161438.9950 -108906.1113 299.8392 38.9204 74.9480 759222.7874 4.4608 4.5092 PRESSURE: 3741400 110.38 39.7901 427.022 39.7905 -23.0832 -90.1635 427.022 -90.1627 101.149 GPRESSURE: 3741400 193.484 77.7239 446.971 -38.0664 -48.2667 -61.4314 368.983 -136.457 126.642 PRESSAVG: 3741400 59.2363 -39.0205 74.0201 -39.0205 -38.2706 -30.8379 74.02 -30.8379 12.7936 GPRESSAVG: 3741400 58.6821 -41.2803 75.5591 -38.7074 -38.3573 -32.4277 74.5064 -27.9283 13.2445 TIMING: 3741400 CPU: 12085.3, 0.00404019/step Wall: 12085.3, 0.00404019/step, 1.41249 hours remaining, 233.960938 MB of memory in use. ENERGY: 3741400 3992.5351 20307.2753 14488.2440 247.6638 -203007.2226 2458.7004 0.0000 0.0000 52357.1188 -109155.6854 300.8971 -161512.8041 -108775.0158 299.2991 62.8152 90.6199 759861.7164 11.2531 11.1898 PRESSURE: 3741600 199.655 -225.038 75.7159 -225.038 -5.17889 -227.145 75.7161 -227.144 308.708 GPRESSURE: 3741600 229.387 -167.558 95.4149 -252.414 105.601 -155.343 48.0392 -229.323 269.29 PRESSAVG: 3741600 80.3444 -1.10493 29.0258 -1.10488 -70.5544 40.7618 29.0258 40.7618 8.72506 GPRESSAVG: 3741600 81.3927 1.32991 26.1166 -1.8626 -71.0376 39.2672 27.4783 39.4228 8.11061 TIMING: 3741600 CPU: 12086.1, 0.0040275/step Wall: 12086.1, 0.0040275/step, 1.40783 hours remaining, 233.960938 MB of memory in use. ENERGY: 3741600 3980.1648 20379.9004 14441.7606 263.5554 -202838.4517 2364.2153 0.0000 0.0000 52190.8229 -109218.0323 299.9414 -161408.8552 -108851.0705 299.7350 167.7280 201.4262 759524.0963 6.1717 6.1553 PRESSURE: 3741800 510.918 -92.8354 -449.213 -92.836 229.015 -171.7 -449.214 -171.699 325.897 GPRESSURE: 3741800 496.617 -66.1901 -492.563 -175.294 333.456 -227.703 -398.769 -119.58 320.624 PRESSAVG: 3741800 32.5558 -63.0016 -7.97134 -63.0015 -40.0865 -44.9584 -7.97138 -44.9585 -2.09131 GPRESSAVG: 3741800 31.5467 -64.0024 -5.1239 -62.7404 -40.3052 -45.4596 -8.50236 -43.7318 -0.743507 TIMING: 3741800 CPU: 12086.9, 0.00401566/step Wall: 12086.9, 0.00401566/step, 1.40347 hours remaining, 233.960938 MB of memory in use. ENERGY: 3741800 3948.8564 20421.0914 14466.2132 229.2353 -203744.9340 2891.7603 0.0000 0.0000 52413.0350 -109374.7424 301.2184 -161787.7774 -109012.1256 299.5806 355.2766 383.5654 758063.8545 -3.2074 -3.1673 PRESSURE: 3742000 -120.328 -55.3688 147.919 -55.3691 -81.2044 183.865 147.92 183.865 -336.141 GPRESSURE: 3742000 -4.09192 -13.5405 149.943 -103.636 -125.867 205.195 138.425 93.0433 -314.833 PRESSAVG: 3742000 31.0259 -40.3245 35.1951 -40.3245 -43.1003 -26.6355 35.195 -26.6355 6.3914 GPRESSAVG: 3742000 31.2388 -39.9803 35.6187 -39.2872 -43.2084 -25.0014 38.2897 -26.8582 6.32147 TIMING: 3742000 CPU: 12087.7, 0.00400689/step Wall: 12087.7, 0.00400689/step, 1.40019 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3742000 4040.9746 20557.3663 14473.5389 261.5113 -203292.0844 2497.5835 0.0000 0.0000 52120.4903 -109340.6196 299.5372 -161461.1098 -108975.9145 299.1221 -179.2244 -148.2639 759582.0795 -1.8943 -1.8827 PRESSURE: 3742200 -209.16 159.242 -288.994 159.242 -77.5115 -297.953 -288.993 -297.952 239.614 GPRESSURE: 3742200 -106.154 156.289 -224.085 180.694 -86.9206 -257.967 -305.429 -222.76 222.169 PRESSAVG: 3742200 26.027 16.7853 -28.6793 16.7853 -23.0298 46.4589 -28.6794 46.4589 -4.4227 GPRESSAVG: 3742200 27.0848 19.0922 -29.6905 15.4412 -22.678 46.5705 -30.8889 45.6417 -5.65284 TIMING: 3742200 CPU: 12088.5, 0.00401875/step Wall: 12088.5, 0.00401875/step, 1.40411 hours remaining, 233.960938 MB of memory in use. ENERGY: 3742200 3975.8384 20636.6505 14536.9578 259.3359 -203195.9396 2336.5245 0.0000 0.0000 52059.6156 -109391.0168 299.1873 -161450.6324 -109034.9625 299.2538 -15.6857 9.6979 758967.0716 -0.4752 -0.4154 PRESSURE: 3742400 137.426 -69.4806 12.7795 -69.4804 119.882 -40.6856 12.7795 -40.686 53.8071 GPRESSURE: 3742400 169.788 31.8263 77.5871 -16.0119 138.65 -92.3486 72.6025 96.9471 85.0247 PRESSAVG: 3742400 99.3431 10.7853 -6.47107 10.7853 -70.8236 -79.1882 -6.4711 -79.1882 23.6954 GPRESSAVG: 3742400 99.0453 9.14978 -7.41197 11.9793 -71.3754 -78.6013 -4.08003 -80.4374 24.2416 TIMING: 3742400 CPU: 12089.3, 0.00400075/step Wall: 12089.3, 0.00400075/step, 1.3976 hours remaining, 233.960938 MB of memory in use. ENERGY: 3742400 3946.0637 20553.5738 14453.4872 231.1039 -203366.0861 2586.4524 0.0000 0.0000 52292.4321 -109302.9730 300.5253 -161595.4050 -108948.5912 299.4682 103.7052 131.1544 757908.9510 17.4049 17.3038 PRESSURE: 3742600 -270.398 47.342 227.545 47.3425 -7.11695 107.864 227.545 107.864 -90.2125 GPRESSURE: 3742600 -217.886 83.663 158.845 85.0584 12.4682 163.152 289.161 130.423 -85.4793 PRESSAVG: 3742600 51.6872 -35.1346 21.0005 -35.1346 -62.877 -7.07135 21.0005 -7.07134 23.4308 GPRESSAVG: 3742600 51.2448 -36.0248 20.4866 -36.6284 -61.9713 -7.01931 19.9716 -5.75351 22.7768 TIMING: 3742600 CPU: 12090.1, 0.00400881/step Wall: 12090.1, 0.00400881/step, 1.40019 hours remaining, 233.960938 MB of memory in use. ENERGY: 3742600 3931.1754 20501.0737 14497.8326 245.2631 -203258.5674 2621.6107 0.0000 0.0000 52277.8908 -109183.7212 300.4418 -161461.6120 -108811.5680 299.4138 -122.5757 -96.9657 760996.5926 4.0803 4.0168 PRESSURE: 3742800 -186.23 -72.0015 47.9269 -72.0011 -210.611 -13.8047 47.9277 -13.8037 -242.623 GPRESSURE: 3742800 -100.387 -184.065 -113.553 -6.32023 -257.038 -61.8782 57.7443 -129.901 -188.144 PRESSAVG: 3742800 -3.32731 -27.349 -52.6382 -27.349 -8.21889 -36.0156 -52.6382 -36.0155 -1.90676 GPRESSAVG: 3742800 -3.13359 -25.9789 -50.3554 -27.7727 -9.47474 -36.6799 -52.5807 -37.9776 -1.01066 TIMING: 3742800 CPU: 12090.9, 0.00398939/step Wall: 12090.9, 0.00398939/step, 1.39318 hours remaining, 233.960938 MB of memory in use. ENERGY: 3742800 3943.1434 20546.7781 14530.5715 243.9306 -202928.3321 2252.0983 0.0000 0.0000 52096.4704 -109315.3398 299.3991 -161411.8101 -108947.5484 299.4962 -213.1547 -181.8562 760793.5967 -4.4843 -4.5397 PRESSURE: 3743000 138.794 -55.8251 -148.657 -55.8252 150.162 62.471 -148.658 62.4699 -2.92582 GPRESSURE: 3743000 174.494 -12.9579 -270.187 -95.2821 144.294 -19.7252 35.5881 48.5293 40.4354 PRESSAVG: 3743000 31.8501 -42.356 -17.7717 -42.3559 -6.02438 -79.3025 -17.7717 -79.3026 12.772 GPRESSAVG: 3743000 30.9127 -41.4581 -20.6078 -42.0761 -5.32513 -79.4982 -17.2453 -75.6037 12.9551 TIMING: 3743000 CPU: 12091.7, 0.00403715/step Wall: 12091.7, 0.00403715/step, 1.40964 hours remaining, 233.960938 MB of memory in use. ENERGY: 3743000 3933.8862 20573.1615 14436.4862 234.3085 -203116.1243 2484.6095 0.0000 0.0000 52058.0553 -109395.6170 299.1784 -161453.6723 -109036.7682 299.1140 95.3436 119.7411 758588.7348 12.8659 12.8476 PRESSURE: 3743200 -212.229 11.6303 118.407 11.6309 -310.765 193.302 118.408 193.302 53.0919 GPRESSURE: 3743200 -249.703 -27.2618 127.324 45.9997 -268.636 128.862 -14.5145 298.841 148.404 PRESSAVG: 3743200 -10.6565 -12.8987 11.5839 -12.8987 -2.00974 -12.7143 11.5839 -12.7143 -34.1118 GPRESSAVG: 3743200 -10.5983 -15.1719 12.4538 -11.8897 -2.02298 -10.9331 11.2004 -14.6253 -34.7054 TIMING: 3743200 CPU: 12092.5, 0.00401868/step Wall: 12092.5, 0.00401868/step, 1.40297 hours remaining, 233.960938 MB of memory in use. ENERGY: 3743200 3991.7840 20638.4531 14472.2109 250.5086 -203248.1634 2448.4848 0.0000 0.0000 52069.3528 -109377.3690 299.2433 -161446.7218 -109029.2703 298.9137 -156.6339 -123.3114 758817.8195 -15.5927 -15.7755 PRESSURE: 3743400 -83.3775 210.745 -128.428 210.745 -24.4018 37.9158 -128.429 37.9157 -309.212 GPRESSURE: 3743400 -111.235 98.2414 -228.464 141.734 -6.75583 -31.8317 -118.117 128.722 -210.796 PRESSAVG: 3743400 -0.956264 32.2935 -51.1496 32.2936 21.9568 -21.3295 -51.1497 -21.3295 22.9271 GPRESSAVG: 3743400 -0.315033 32.8597 -51.5707 30.3149 22.6063 -22.5689 -49.3306 -20.4483 22.2314 TIMING: 3743400 CPU: 12093.3, 0.00400668/step Wall: 12093.3, 0.00400668/step, 1.39855 hours remaining, 233.960938 MB of memory in use. ENERGY: 3743400 3984.4012 20549.3420 14466.6571 255.7845 -203147.8526 2479.5311 0.0000 0.0000 52095.4293 -109316.7076 299.3931 -161412.1369 -108954.4276 299.6232 -138.9971 -109.5956 760183.4922 14.6425 14.8409 PRESSURE: 3743600 412.735 240.946 101.236 240.947 -21.8049 81.3444 101.235 81.3436 -16.1475 GPRESSURE: 3743600 441.329 309.517 161.524 277.753 16.866 129.742 49.8899 119.789 12.4419 PRESSAVG: 3743600 2.00853 3.50651 -21.7201 3.50652 -34.1905 -7.21705 -21.7201 -7.21712 20.423 GPRESSAVG: 3743600 2.07964 3.90517 -19.5996 5.47578 -34.6718 -8.05818 -24.6914 -8.88286 21.2651 TIMING: 3743600 CPU: 12094.1, 0.00401319/step Wall: 12094.1, 0.00401319/step, 1.4006 hours remaining, 233.960938 MB of memory in use. ENERGY: 3743600 3931.2211 20360.0650 14482.1418 237.2375 -203027.9072 2603.6790 0.0000 0.0000 52077.2293 -109336.3335 299.2886 -161413.5628 -108968.4621 299.2100 124.9274 156.8789 759715.6261 -3.9197 -3.7757 PRESSURE: 3743800 -100.554 -45.7837 19.8659 -45.7843 -75.0186 -37.475 19.865 -37.475 494.837 GPRESSURE: 3743800 -79.814 52.9189 80.6641 -12.0196 -9.34577 11.5485 0.362874 -112.21 505.652 PRESSAVG: 3743800 113.108 -2.55501 -2.08842 -2.55498 -110.279 22.8549 -2.08845 22.855 -13.6652 GPRESSAVG: 3743800 113.402 -3.578 -3.11461 -2.69361 -110.31 23.2424 -0.859356 24.0767 -13.8929 TIMING: 3743800 CPU: 12094.9, 0.00400263/step Wall: 12094.9, 0.00400263/step, 1.39669 hours remaining, 233.960938 MB of memory in use. ENERGY: 3743800 4034.0330 20511.8413 14511.9913 234.8843 -203168.0783 2598.9167 0.0000 0.0000 51830.2189 -109446.1927 297.8690 -161276.4116 -109083.8240 299.4874 106.4216 138.8308 760297.2141 -3.6122 -3.6002 PRESSURE: 3744000 -8.06461 166.69 -129.863 166.69 -69.0713 -115.187 -129.863 -115.187 327.761 GPRESSURE: 3744000 -46.8638 103.339 -119.757 126.249 -18.9346 -75.523 -104.95 8.32005 392.808 PRESSAVG: 3744000 16.3672 10.6851 -49.0062 10.6851 -18.0754 44.2255 -49.0061 44.2256 -6.23053 GPRESSAVG: 3744000 17.2469 11.3618 -49.5784 9.88163 -18.0353 42.4532 -51.9907 44.0041 -7.03601 TIMING: 3744000 CPU: 12095.7, 0.00401764/step Wall: 12095.7, 0.00401764/step, 1.40171 hours remaining, 233.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3744000 3960.1830 20518.0296 14461.1550 247.3487 -203640.4514 2680.2557 0.0000 0.0000 52221.9030 -109551.5763 300.1200 -161773.4793 -109191.4832 298.9843 83.5417 109.0033 760777.8952 -2.6463 -2.6081 PRESSURE: 3744200 -105.741 97.8527 -17.533 97.8529 1.83772 43.9757 -17.5332 43.9753 -127.79 GPRESSURE: 3744200 -36.424 46.0458 -61.0427 -0.388858 11.1422 54.0537 72.666 42.508 -122.784 PRESSAVG: 3744200 -5.69855 -37.9788 -13.5047 -37.9788 30.599 -10.0608 -13.5047 -10.0608 -6.27962 GPRESSAVG: 3744200 -7.70579 -38.1221 -14.8481 -36.9439 31.562 -9.18877 -11.1553 -7.47412 -6.11184 TIMING: 3744200 CPU: 12096.5, 0.00401475/step Wall: 12096.5, 0.00401475/step, 1.40048 hours remaining, 233.960938 MB of memory in use. ENERGY: 3744200 4020.4001 20277.7813 14513.1074 246.6995 -203379.8504 2706.4638 0.0000 0.0000 51821.5465 -109793.8518 297.8191 -161615.3983 -109442.3180 299.1085 -77.2313 -49.3551 760593.9353 6.2070 5.9148 LDB: ============= START OF LOAD BALANCING ============== 12109 LDB: ============== END OF LOAD BALANCING =============== 12109 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109 LDB: ============= START OF LOAD BALANCING ============== 12109.4 LDB: Largest compute 7068 load 0.034254 is 17.7% of average load 0.193350 LDB: Average compute 0.004471 is 2.3% of average load 0.193350 LDB: TIME 12109.4 LOAD: AVG 0.19335 MAX 0.212677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.535 MB LDB: TIME 12109.4 LOAD: AVG 0.19335 MAX 0.212677 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: TIME 12109.4 LOAD: AVG 0.19335 MAX 0.212677 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12109.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109.4 PRESSURE: 3744400 166.002 -27.3168 -71.5351 -27.3168 -3.63748 -52.21 -71.5352 -52.2103 442.868 GPRESSURE: 3744400 187.479 -75.3579 -13.2957 18.4713 33.2905 -35.2622 -129.254 -129.74 464.778 PRESSAVG: 3744400 14.1679 17.0437 3.15478 17.0437 -1.48009 49.4181 3.15476 49.4182 -8.08678 GPRESSAVG: 3744400 15.1826 17.5658 4.0162 15.576 -2.67712 48.8115 2.74601 47.6531 -7.65536 TIMING: 3744400 CPU: 12097.3, 0.00408647/step Wall: 12097.3, 0.00408647/step, 1.42527 hours remaining, 233.828125 MB of memory in use. ENERGY: 3744400 3943.2910 20309.2003 14508.5736 239.2235 -203634.4167 2857.8635 0.0000 0.0000 51830.6967 -109945.5682 297.8717 -161776.2649 -109584.2581 297.8995 201.7441 228.5159 760392.5405 1.5337 1.6167 PRESSURE: 3744600 52.7001 29.4572 71.7569 29.4569 37.7401 -206.008 71.7581 -206.008 131.852 GPRESSURE: 3744600 43.0986 -14.2147 -40.1757 13.035 134.112 -96.7207 87.4609 -422.725 113.481 PRESSAVG: 3744600 26.3801 -11.6163 -5.42466 -11.6163 3.51513 -35.6692 -5.42469 -35.6693 18.7903 GPRESSAVG: 3744600 24.8415 -9.3779 -5.4423 -11.5667 3.9173 -33.5645 -6.42851 -37.0717 18.7792 TIMING: 3744600 CPU: 12098.1, 0.00401742/step Wall: 12098.1, 0.00401742/step, 1.40096 hours remaining, 233.996094 MB of memory in use. ENERGY: 3744600 3955.8212 20269.0896 14517.2307 235.9703 -203511.4594 2742.6576 0.0000 0.0000 51862.0089 -109928.6812 298.0517 -161790.6900 -109570.2481 297.8387 74.0974 96.8971 761403.7152 16.2285 15.8460 PRESSURE: 3744800 -114.144 89.9769 -195.232 89.9767 -0.237726 141.921 -195.231 141.921 70.329 GPRESSURE: 3744800 -76.4219 55.3238 -189.279 104.433 59.0765 177.654 -142.61 82.9562 61.1944 PRESSAVG: 3744800 19.1584 -12.6265 10.0159 -12.6265 19.9173 15.2802 10.0159 15.2802 -8.85601 GPRESSAVG: 3744800 20.5616 -15.0662 9.2392 -13.37 18.9784 13.6883 13.2455 15.2695 -9.13287 TIMING: 3744800 CPU: 12098.9, 0.00399251/step Wall: 12098.9, 0.00399251/step, 1.39206 hours remaining, 233.996094 MB of memory in use. ENERGY: 3744800 4024.7262 20320.6916 14496.9211 249.6354 -204101.6342 3078.7515 0.0000 0.0000 51891.2584 -110039.6499 298.2198 -161930.9083 -109661.9357 298.1362 -14.6843 14.6163 761070.5792 10.0732 10.1357 PRESSURE: 3745000 -301.922 -154.219 -5.81665 -154.219 -361.592 -420.994 -5.81593 -420.992 -373.091 GPRESSURE: 3745000 -307.109 -203.643 -62.3644 -162.188 -290.598 -450.891 -58.2495 -341.639 -346.554 PRESSAVG: 3745000 52.9087 6.44241 -83.8814 6.44249 -5.64274 -6.11792 -83.8815 -6.11795 24.366 GPRESSAVG: 3745000 53.3103 7.17576 -82.4275 7.02981 -4.5973 -5.58815 -86.0191 -6.90199 23.0825 TIMING: 3745000 CPU: 12099.7, 0.00400215/step Wall: 12099.7, 0.00400215/step, 1.39519 hours remaining, 233.996094 MB of memory in use. ENERGY: 3745000 3995.4520 20360.4814 14506.3940 223.5756 -203397.1324 2291.7097 0.0000 0.0000 51992.3569 -110027.1628 298.8008 -162019.5197 -109673.1769 297.8956 -345.5348 -314.7536 761765.9628 23.8773 23.9318 PRESSURE: 3745200 -87.3859 207.622 -66.0013 207.622 -68.3906 44.7087 -66.0016 44.7082 -219.166 GPRESSURE: 3745200 -51.0987 174.7 -80.6083 189.136 -57.3144 5.99731 53.0388 60.1383 -156.074 PRESSAVG: 3745200 31.1881 -11.7363 0.409801 -11.7364 -6.46023 -28.6551 0.409775 -28.6551 12.749 GPRESSAVG: 3745200 31.6674 -9.85516 0.256887 -13.2813 -7.96634 -27.358 1.08295 -27.1052 14.1253 TIMING: 3745200 CPU: 12100.5, 0.00400433/step Wall: 12100.5, 0.00400433/step, 1.39573 hours remaining, 234.066406 MB of memory in use. ENERGY: 3745200 4021.8426 20455.4089 14541.3855 238.2421 -203418.7293 2535.4112 0.0000 0.0000 51962.7606 -109663.6784 298.6307 -161626.4391 -109313.9740 298.2362 -124.9809 -88.1623 760544.8747 12.4923 12.6088 PRESSURE: 3745400 82.5788 -44.4453 106.519 -44.4457 -255.478 -69.8248 106.519 -69.8242 231.463 GPRESSURE: 3745400 72.0234 -13.4063 101.756 -44.0283 -222.431 -90.1492 192.122 -51.5625 292.371 PRESSAVG: 3745400 80.8018 18.6306 -27.42 18.6306 -64.9266 -26.4963 -27.42 -26.4963 7.7318 GPRESSAVG: 3745400 80.078 17.1489 -27.2666 19.8037 -63.7932 -28.9913 -27.6368 -25.4042 7.16898 TIMING: 3745400 CPU: 12101.3, 0.0039878/step Wall: 12101.3, 0.0039878/step, 1.38975 hours remaining, 234.066406 MB of memory in use. ENERGY: 3745400 3920.9586 20618.7693 14484.0340 244.9916 -203829.2784 2785.4311 0.0000 0.0000 51804.9871 -109970.1067 297.7240 -161775.0938 -109607.7858 298.4851 19.5214 47.3209 758860.0390 7.8690 7.8179 PRESSURE: 3745600 268.423 197.874 297.843 197.874 47.9689 107.699 297.842 107.7 -29.1178 GPRESSURE: 3745600 371.978 98.2971 397.763 123.939 3.72357 158.026 96.6308 191.097 6.31734 PRESSAVG: 3745600 19.7285 49.5158 5.63541 49.5158 -43.2156 -1.02455 5.63544 -1.02457 6.38487 GPRESSAVG: 3745600 19.2176 47.9126 4.24204 51.2276 -43.8811 0.683644 5.21586 -1.50071 7.0017 TIMING: 3745600 CPU: 12102.1, 0.00401329/step Wall: 12102.1, 0.00401329/step, 1.39841 hours remaining, 234.066406 MB of memory in use. ENERGY: 3745600 3954.8683 20313.9838 14528.9922 245.8487 -203678.7401 2681.3589 0.0000 0.0000 51990.3275 -109963.3606 298.7891 -161953.6882 -109591.8576 297.9441 95.7581 127.3396 760917.1563 -5.7007 -5.8873 PRESSURE: 3745800 -139.03 -230.908 254.838 -230.908 310.354 3.21227 254.839 3.21207 7.94024 GPRESSURE: 3745800 4.55576 -140.343 365.939 -69.7913 216.279 90.6456 199.081 -132.938 45.4131 PRESSAVG: 3745800 19.8142 9.04871 -30.8464 9.04868 -18.6222 -69.6168 -30.8463 -69.6168 -5.05529 GPRESSAVG: 3745800 20.4561 10.885 -28.2248 7.77747 -18.7452 -72.2932 -32.5394 -70.6401 -5.62017 TIMING: 3745800 CPU: 12102.9, 0.0040167/step Wall: 12102.9, 0.0040167/step, 1.39937 hours remaining, 234.066406 MB of memory in use. ENERGY: 3745800 3964.0548 20397.8846 14485.6417 217.7262 -203507.7861 2698.2522 0.0000 0.0000 52166.8663 -109577.3604 299.8037 -161744.2266 -109216.1132 298.6916 59.7548 88.7493 762593.4531 -1.2878 -1.3031 PRESSURE: 3746000 -75.4969 -164.568 189.684 -164.569 -88.2199 -35.5551 189.684 -35.554 -37.026 GPRESSURE: 3746000 -47.5223 -201.553 197.766 -209.714 -10.1779 -38.4825 127.924 -101.734 -52.2605 PRESSAVG: 3746000 17.45 -55.0086 24.4616 -55.0086 -18.5826 -5.65442 24.4617 -5.65441 -30.6572 GPRESSAVG: 3746000 18.6058 -56.3113 21.9979 -55.0997 -19.5281 -5.35874 26.4991 -5.39955 -30.6625 TIMING: 3746000 CPU: 12103.7, 0.00399954/step Wall: 12103.7, 0.00399954/step, 1.39317 hours remaining, 234.066406 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: 3746000 3972.0460 20409.6130 14488.2576 236.9829 -203048.2546 2354.8770 0.0000 0.0000 52044.0353 -109542.4428 299.0978 -161586.4780 -109175.1987 298.8845 -66.9143 -36.6536 761199.9079 -10.5966 -10.5283 PRESSURE: 3746200 187.098 75.1672 21.7955 75.1684 100.683 -58.7144 21.7953 -58.7148 -92.4535 GPRESSURE: 3746200 196.497 111.455 -63.9972 99.7554 161.832 -67.3928 65.637 37.6418 -73.4959 PRESSAVG: 3746200 -11.1759 4.56778 -33.0849 4.5678 14.9627 -31.2917 -33.085 -31.2915 -0.07886 GPRESSAVG: 3746200 -11.9117 5.85235 -32.4024 5.0837 15.39 -28.7736 -33.9112 -31.8849 0.193374 TIMING: 3746200 CPU: 12104.5, 0.00399374/step Wall: 12104.5, 0.00399374/step, 1.39093 hours remaining, 234.066406 MB of memory in use. ENERGY: 3746200 3944.7793 20206.4409 14543.7748 227.5459 -203319.8845 2711.7317 0.0000 0.0000 51998.5342 -109687.0779 298.8363 -161685.6121 -109318.4042 298.7152 65.1091 94.9444 761503.0667 1.2360 1.2239 PRESSURE: 3746400 256.168 98.5037 40.6999 98.503 57.7972 48.9078 40.6997 48.908 324.875 GPRESSURE: 3746400 270.96 80.7851 103.867 127.431 98.1056 96.2993 -46.4898 69.5985 352.524 PRESSAVG: 3746400 40.0349 52.0963 -1.75085 52.0962 -17.1166 -18.3445 -1.75086 -18.3446 15.5444 GPRESSAVG: 3746400 40.0299 51.4609 -1.80284 53.4803 -17.4732 -21.0884 -0.0903831 -16.657 15.4672 TIMING: 3746400 CPU: 12105.3, 0.00398531/step Wall: 12105.3, 0.00398531/step, 1.38777 hours remaining, 234.101562 MB of memory in use. ENERGY: 3746400 3884.9928 20532.4688 14465.5184 251.2983 -204035.1755 3098.6842 0.0000 0.0000 52096.8600 -109705.3530 299.4014 -161802.2130 -109344.9763 298.8556 212.9467 240.5300 760361.4890 12.8209 12.6747 PRESSURE: 3746600 -280.031 59.5065 -142.447 59.5065 -113.033 405.597 -142.447 405.596 -34.19 GPRESSURE: 3746600 -267.064 67.0024 -232.955 99.2814 -50.7677 446.441 -151.831 305.597 -39.4375 PRESSAVG: 3746600 -18.813 3.58736 25.8239 3.58739 -12.9659 14.0558 25.8239 14.0558 -19.809 GPRESSAVG: 3746600 -19.8044 5.24056 25.4506 2.36871 -12.6216 13.8296 25.1443 13.9316 -19.2802 TIMING: 3746600 CPU: 12106.1, 0.00400027/step Wall: 12106.1, 0.00400027/step, 1.39276 hours remaining, 234.101562 MB of memory in use. ENERGY: 3746600 4081.3142 20491.1568 14487.5815 247.2225 -203454.8247 2504.1655 0.0000 0.0000 51907.6878 -109735.6963 298.3142 -161643.3841 -109375.2077 298.3440 -142.4181 -119.0896 763228.1359 -17.1960 -17.2354 PRESSURE: 3746800 -221.397 -124.127 62.0079 -124.127 -135.728 237.814 62.0084 237.814 101.619 GPRESSURE: 3746800 -223.36 38.8727 98.1779 -128.421 -35.0064 206.412 41.583 241.177 81.6503 PRESSAVG: 3746800 7.3284 -17.8787 29.6709 -17.8787 8.03021 8.28933 29.6709 8.2893 15.2186 GPRESSAVG: 3746800 7.92043 -21.5283 30.6237 -16.0541 8.3478 8.54088 30.5592 6.31081 13.9722 TIMING: 3746800 CPU: 12106.9, 0.00396886/step Wall: 12106.9, 0.00396886/step, 1.3816 hours remaining, 234.101562 MB of memory in use. ENERGY: 3746800 3991.3458 20397.4349 14509.5437 255.5112 -203565.0875 2541.5482 0.0000 0.0000 52229.2450 -109640.4587 300.1622 -161869.7037 -109281.9053 298.6750 -85.1688 -58.9055 763062.2063 10.1924 10.0802 PRESSURE: 3747000 -13.5604 -4.22486 32.2617 -4.22423 -177.32 -123.771 32.2613 -123.771 -454.507 GPRESSURE: 3747000 -2.94647 18.934 -113.271 -27.1544 -126.052 -17.3452 123.732 19.6089 -441.553 PRESSAVG: 3747000 22.2775 -25.7072 -10.7404 -25.7072 -3.85976 -9.1449 -10.7404 -9.14487 2.85767 GPRESSAVG: 3747000 21.4441 -23.4308 -11.7749 -29.9853 -3.54408 -8.25983 -11.8702 -9.2664 3.39549 TIMING: 3747000 CPU: 12107.7, 0.00399656/step Wall: 12107.7, 0.00399656/step, 1.39102 hours remaining, 234.101562 MB of memory in use. ENERGY: 3747000 3935.0219 20310.3507 14549.1730 235.6909 -203245.4650 2521.5537 0.0000 0.0000 52038.7243 -109654.9507 299.0673 -161693.6750 -109289.9363 298.8913 -215.1290 -190.1838 762735.7208 7.0918 7.0985 PRESSURE: 3747200 35.5224 198.387 -151.129 198.387 -4.70439 -256.57 -151.13 -256.57 407.14 GPRESSURE: 3747200 47.2346 190.239 -136.74 203.545 80.7422 -185.003 -205.252 -219.197 401.935 PRESSAVG: 3747200 44.4952 -20.8859 -15.9202 -20.8859 -3.6417 8.23707 -15.9202 8.23703 11.6626 GPRESSAVG: 3747200 44.6083 -21.9066 -14.8061 -17.813 -3.39549 9.08103 -15.3136 9.38538 11.2939 TIMING: 3747200 CPU: 12108.5, 0.00400427/step Wall: 12108.5, 0.00400427/step, 1.39348 hours remaining, 234.101562 MB of memory in use. ENERGY: 3747200 3949.7580 20259.4661 14459.1782 235.2167 -203264.1593 2528.3075 0.0000 0.0000 51945.8109 -109886.4220 298.5333 -161832.2329 -109520.8403 298.2287 145.9859 176.6371 762284.7055 17.5054 17.5022 PRESSURE: 3747400 -389.945 137.43 -9.14468 137.43 -537.035 2.38873 -9.14331 2.38837 127.608 GPRESSURE: 3747400 -326.293 164.76 -15.1685 108.683 -531.316 60.7581 -17.8585 -39.9747 154.658 PRESSAVG: 3747400 22.8119 -6.42934 -10.4459 -6.42929 -35.5851 -11.6553 -10.446 -11.6553 -13.6299 GPRESSAVG: 3747400 23.0113 -4.8973 -10.8026 -8.05225 -35.5526 -11.953 -9.86184 -10.6815 -13.9295 TIMING: 3747400 CPU: 12109.3, 0.00401525/step Wall: 12109.3, 0.00401525/step, 1.39708 hours remaining, 234.101562 MB of memory in use. ENERGY: 3747400 4000.0251 20346.1652 14452.2506 245.1520 -202993.2842 2398.7132 0.0000 0.0000 51532.2460 -110018.7322 296.1565 -161550.9782 -109659.6976 297.7482 -266.4573 -234.3168 763338.7806 -8.8010 -8.8236 PRESSURE: 3747600 -182.414 90.6474 146.379 90.6469 -124.382 -118.706 146.38 -118.706 -96.4952 GPRESSURE: 3747600 -213.253 -56.2892 218.663 90.0064 3.86287 -126.444 108.858 -39.5252 -86.4965 PRESSAVG: 3747600 74.5858 -21.4718 3.75506 -21.4717 7.36121 -20.0193 3.75509 -20.0192 -0.239069 GPRESSAVG: 3747600 75.306 -22.9784 4.65513 -20.0751 6.46309 -20.509 3.742 -21.9799 0.846717 TIMING: 3747600 CPU: 12110.1, 0.00401446/step Wall: 12110.1, 0.00401446/step, 1.39659 hours remaining, 234.101562 MB of memory in use. ENERGY: 3747600 3993.3173 20338.8989 14325.8238 250.9387 -203057.0141 2293.5259 0.0000 0.0000 51906.7563 -109947.7532 298.3088 -161854.5095 -109583.5853 297.8524 -134.4303 -98.6289 761416.7066 27.2360 27.5386 PRESSURE: 3747800 -259.576 -0.20681 -77.4318 -0.2063 40.0702 -120.513 -77.4316 -120.514 -182.378 GPRESSURE: 3747800 -144.69 47.396 -99.1874 57.5977 59.2843 -64.8894 49.2404 2.8626 -235.618 PRESSAVG: 3747800 -24.1956 7.57785 47.1941 7.57792 15.7489 -7.17995 47.1941 -7.18007 -8.84764 GPRESSAVG: 3747800 -23.4482 6.861 47.3449 7.30812 16.4542 -6.42644 46.5305 -8.15755 -10.4579 TIMING: 3747800 CPU: 12110.9, 0.00403162/step Wall: 12110.9, 0.00403162/step, 1.40233 hours remaining, 234.101562 MB of memory in use. ENERGY: 3747800 4031.1888 20292.6253 14432.4661 228.2804 -203359.5477 2638.5665 0.0000 0.0000 51993.2134 -109743.2072 298.8057 -161736.4206 -109381.3363 297.8941 -133.9613 -107.0079 760679.5043 -5.7648 -5.8173 PRESSURE: 3748000 -273.381 -266.801 -309.52 -266.8 -83.3688 16.8631 -309.519 16.8639 -125.222 GPRESSURE: 3748000 -211.359 -154.221 -293.365 -148.347 -77.236 -1.8782 -253.866 14.4961 -121.794 PRESSAVG: 3748000 -12.5074 -44.6301 24.4012 -44.63 20.0868 53.9047 24.4013 53.9047 33.6109 GPRESSAVG: 3748000 -11.5406 -41.97 21.8158 -46.6082 18.6493 53.0208 25.6682 55.5322 34.4995 TIMING: 3748000 CPU: 12111.7, 0.00399711/step Wall: 12111.7, 0.00399711/step, 1.39011 hours remaining, 234.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3748000 4005.5137 20506.6768 14511.3054 252.1953 -203448.1672 2716.7407 0.0000 0.0000 51863.0985 -109592.6369 298.0579 -161455.7354 -109231.6163 298.8066 -160.6573 -136.7965 760374.0104 13.7301 13.8694 PRESSURE: 3748200 86.1968 67.3153 -66.9591 67.3159 -45.5544 190.466 -66.9586 190.466 208.372 GPRESSURE: 3748200 99.4343 -74.0296 -60.3243 150.958 59.5907 143.536 44.2909 167.074 194.735 PRESSAVG: 3748200 -9.30818 -18.6734 20.4233 -18.6734 -2.77271 37.5359 20.4232 37.5359 -7.49968 GPRESSAVG: 3748200 -9.70299 -19.2969 22.8822 -18.0725 -2.39366 35.7678 18.8631 38.1118 -7.19047 TIMING: 3748200 CPU: 12112.5, 0.00402037/step Wall: 12112.5, 0.00402037/step, 1.39797 hours remaining, 234.101562 MB of memory in use. ENERGY: 3748200 3986.9954 20351.7377 14394.2531 277.0430 -203152.3669 2735.7479 0.0000 0.0000 52064.8313 -109341.7585 299.2173 -161406.5897 -108979.6640 299.3866 83.0047 117.9201 761319.0239 -6.5269 -6.4290 LDB: ============= START OF LOAD BALANCING ============== 12125 LDB: ============== END OF LOAD BALANCING =============== 12125 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12125 LDB: ============= START OF LOAD BALANCING ============== 12125.4 LDB: Largest compute 7068 load 0.031599 is 16.4% of average load 0.193239 LDB: Average compute 0.004469 is 2.3% of average load 0.193239 LDB: TIME 12125.4 LOAD: AVG 0.193239 MAX 0.218221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.148 MB LDB: TIME 12125.4 LOAD: AVG 0.193239 MAX 0.218221 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: TIME 12125.4 LOAD: AVG 0.193239 MAX 0.215341 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: ============== END OF LOAD BALANCING =============== 12125.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12125.5 PRESSURE: 3748400 109.936 192.784 303.475 192.785 -180.418 -333.085 303.475 -333.085 -284.403 GPRESSURE: 3748400 108.449 217.214 239.7 37.2544 -115.773 -282.943 332.525 -249.339 -262.896 PRESSAVG: 3748400 -11.4262 -37.266 40.5075 -37.266 14.5095 51.6297 40.5075 51.6297 9.36334 GPRESSAVG: 3748400 -12.6376 -36.9629 39.6593 -38.4816 15.0948 54.5911 40.844 49.5642 10.3921 TIMING: 3748400 CPU: 12113.4, 0.00408025/step Wall: 12113.4, 0.00408025/step, 1.41857 hours remaining, 234.082031 MB of memory in use. ENERGY: 3748400 3998.4552 20517.9754 14497.8381 220.1071 -202620.7657 2174.7725 0.0000 0.0000 52005.3990 -109206.2184 298.8757 -161211.6173 -108842.6444 299.4292 -118.2950 -90.0734 761749.0839 4.1489 4.2831 PRESSURE: 3748600 15.3856 113.349 6.07776 113.348 -200.245 44.1424 6.0774 44.1424 -85.1078 GPRESSURE: 3748600 97.7644 73.4126 40.46 172.499 -205.802 62.6042 48.601 -63.4753 -96.188 PRESSAVG: 3748600 -0.360014 -12.9821 -9.77303 -12.9822 -43.876 -3.29489 -9.773 -3.2948 -15.2142 GPRESSAVG: 3748600 1.09404 -13.4964 -8.11706 -11.2034 -44.0397 -4.48293 -12.1139 -3.62165 -16.3462 TIMING: 3748600 CPU: 12114.2, 0.00400013/step Wall: 12114.2, 0.00400013/step, 1.39049 hours remaining, 234.082031 MB of memory in use. ENERGY: 3748600 3896.3807 20453.0216 14459.5326 243.1864 -202961.9596 2269.7442 0.0000 0.0000 52213.3679 -109426.7264 300.0709 -161640.0943 -109065.4101 299.4706 -89.9892 -68.0752 761852.3511 -19.8168 -19.7639 PRESSURE: 3748800 -112.158 156 58.7675 156 19.9754 -45.8872 58.767 -45.886 -98.3999 GPRESSURE: 3748800 -122.79 150.642 88.2614 72.5733 101.496 -32.233 -12.1537 -109.298 -95.0975 PRESSAVG: 3748800 12.233 -20.8305 -17.6358 -20.8305 -27.7739 -21.2151 -17.6358 -21.2151 0.212787 GPRESSAVG: 3748800 10.781 -21.3291 -18.1343 -20.2863 -28.2573 -21.4126 -15.4296 -18.4482 2.32333 TIMING: 3748800 CPU: 12114.9, 0.00398629/step Wall: 12114.9, 0.00398629/step, 1.38546 hours remaining, 234.082031 MB of memory in use. ENERGY: 3748800 3908.3028 20267.3658 14472.1344 249.8273 -203026.6395 2408.3740 0.0000 0.0000 52032.9458 -109687.6894 299.0341 -161720.6352 -109319.6963 298.8627 -63.5276 -38.7972 760402.2553 -5.1094 -5.0510 PRESSURE: 3749000 -165.231 0.781532 102.707 0.780754 -132.119 189.395 102.707 189.395 98.1461 GPRESSURE: 3749000 -183.833 -57.7253 151.832 -63.8308 -134.19 185.69 55.2247 261.692 206.924 PRESSAVG: 3749000 15.0373 -13.4319 -13.4185 -13.4319 -39.2853 -0.52898 -13.4185 -0.528926 -29.2696 GPRESSAVG: 3749000 16.5423 -13.7453 -14.2072 -14.5714 -38.8744 0.206494 -14.4674 -1.78818 -31.068 TIMING: 3749000 CPU: 12115.8, 0.00401526/step Wall: 12115.8, 0.00401526/step, 1.3953 hours remaining, 234.339844 MB of memory in use. ENERGY: 3749000 3996.6098 20486.1134 14451.0657 241.6104 -203156.3534 2397.6103 0.0000 0.0000 51993.8892 -109589.4547 298.8096 -161583.3439 -109240.5075 298.6958 -66.4012 -37.0331 763134.4160 -17.8392 -17.8000 PRESSURE: 3749200 -165.444 -51.0996 -133.999 -51.0988 -12.7795 49.1864 -133.999 49.1859 196.571 GPRESSURE: 3749200 -99.8364 -46.5173 -86.7709 -56.4726 4.79364 31.4227 -182.626 -51.9596 186.442 PRESSAVG: 3749200 10.7649 -92.2697 3.71645 -92.2697 7.104 -37.2069 3.71645 -37.2068 5.97381 GPRESSAVG: 3749200 9.93187 -90.9795 5.14526 -91.8019 8.05668 -36.7369 2.83935 -37.2569 5.58648 TIMING: 3749200 CPU: 12116.5, 0.00398971/step Wall: 12116.5, 0.00398971/step, 1.3862 hours remaining, 234.445312 MB of memory in use. ENERGY: 3749200 3887.7836 20501.4697 14466.8623 250.0487 -202778.3674 2283.6932 0.0000 0.0000 51940.1293 -109448.3807 298.5006 -161388.5100 -109091.0739 299.1288 6.1158 30.4664 761403.6411 7.9476 7.8583 PRESSURE: 3749400 -322.987 49.6776 -132.767 49.6762 -20.5756 169.61 -132.766 169.609 -15.342 GPRESSURE: 3749400 -191.15 0.0988292 -97.4934 26.9598 -27.0957 229.241 34.0391 72.88 -44.741 PRESSAVG: 3749400 55.6963 -39.9853 -21.353 -39.9853 -49.3939 -54.1928 -21.3529 -54.1928 -19.9742 GPRESSAVG: 3749400 55.5723 -40.9134 -22.3724 -39.9431 -51.2892 -55.7678 -18.1694 -51.8383 -18.1433 TIMING: 3749400 CPU: 12117.3, 0.00398889/step Wall: 12117.3, 0.00398889/step, 1.3857 hours remaining, 234.445312 MB of memory in use. ENERGY: 3749400 3954.8899 20457.2288 14497.7019 249.4236 -203092.9087 2329.9741 0.0000 0.0000 52168.7793 -109434.9111 299.8147 -161603.6905 -109065.3932 299.7606 -119.6347 -87.6622 760683.5943 -4.5573 -4.6200 PRESSURE: 3749600 131.593 -155.481 -67.38 -155.481 -43.0705 -21.2017 -67.3802 -21.2025 72.9795 GPRESSURE: 3749600 186.392 -159.145 -49.4388 -68.1589 -6.92315 24.3654 -139.705 -58.6851 45.9318 PRESSAVG: 3749600 86.956 23.2696 12.1868 23.2696 -49.7921 0.725979 12.1869 0.726036 17.2279 GPRESSAVG: 3749600 87.1652 22.6851 11.422 25.763 -50.3189 1.01934 11.6391 -0.665676 17.2046 TIMING: 3749600 CPU: 12118.1, 0.00399517/step Wall: 12118.1, 0.00399517/step, 1.38765 hours remaining, 234.648438 MB of memory in use. ENERGY: 3749600 3915.6401 20363.1309 14523.4345 241.1235 -203552.6912 2650.7925 0.0000 0.0000 52175.6582 -109682.9115 299.8542 -161858.5697 -109317.5785 299.2190 53.8339 75.1336 760399.1775 18.1306 18.0170 PRESSURE: 3749800 -186.084 -49.218 116.427 -49.2184 -491.587 -146.131 116.427 -146.131 -217.402 GPRESSURE: 3749800 -117.959 -15.4902 84.1881 32.7075 -380.784 -154.456 -31.3717 -123.854 -292.1 PRESSAVG: 3749800 18.4734 -26.7135 31.2256 -26.7135 -58.4405 -3.93858 31.2256 -3.93856 21.3197 GPRESSAVG: 3749800 17.4728 -25.357 31.3291 -29.3592 -56.6417 -3.78776 30.5457 -2.02467 20.889 TIMING: 3749800 CPU: 12118.9, 0.00401763/step Wall: 12118.9, 0.00401763/step, 1.39523 hours remaining, 234.648438 MB of memory in use. ENERGY: 3749800 3892.3513 20455.7349 14408.8743 229.2388 -202818.2688 2191.8861 0.0000 0.0000 51805.8322 -109834.3511 297.7288 -161640.1833 -109473.0909 298.2051 -298.3576 -263.6143 762675.4714 -6.2158 -6.0933 PRESSURE: 3750000 -309.166 139.902 163.854 139.902 9.53231 168.032 163.854 168.033 -235.083 GPRESSURE: 3750000 -161.693 53.907 158.715 30.9483 -98.9206 247.836 83.9817 163.259 -203.551 PRESSAVG: 3750000 -16.432 -43.406 7.59166 -43.406 14.9989 -11.6912 7.59158 -11.6911 22.632 GPRESSAVG: 3750000 -16.411 -44.5731 8.39269 -45.1919 13.5972 -10.9961 5.49784 -13.4533 23.7721 TIMING: 3750000 CPU: 12119.7, 0.00399707/step Wall: 12119.7, 0.00399707/step, 1.38787 hours remaining, 234.648438 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: 3750000 3972.6600 20501.5235 14449.3027 257.9452 -203193.9182 2419.9564 0.0000 0.0000 51919.7314 -109672.7990 298.3834 -161592.5304 -109322.4095 298.4009 -178.2390 -154.7215 761521.3673 7.0663 6.9861 PRESSURE: 3750200 38.5915 98.3096 -120.716 98.3096 -450.633 -6.91917 -120.715 -6.91786 -290.509 GPRESSURE: 3750200 44.1196 179.053 -71.953 0.525276 -383.3 -7.1424 -34.2232 -61.5666 -266.589 PRESSAVG: 3750200 26.3204 -42.2318 -17.9827 -42.2317 -57.492 36.6037 -17.9827 36.6038 9.16086 GPRESSAVG: 3750200 26.207 -39.5133 -17.123 -41.0075 -55.4959 36.1351 -16.377 36.6359 7.28828 TIMING: 3750200 CPU: 12120.6, 0.00400992/step Wall: 12120.6, 0.00400992/step, 1.39211 hours remaining, 234.648438 MB of memory in use. ENERGY: 3750200 3983.2041 20546.7882 14420.8253 257.2725 -203200.8837 2509.8793 0.0000 0.0000 51909.8024 -109573.1119 298.3263 -161482.9143 -109214.0304 298.5630 -234.1835 -201.9232 762326.8583 -7.3369 -7.3335 PRESSURE: 3750400 -62.503 -166.717 -191.314 -166.717 -29.8056 21.1403 -191.314 21.14 42.517 GPRESSURE: 3750400 7.77487 -227.663 -204.496 -117.182 50.7499 -6.92343 -136.896 -16.1921 -16.6959 PRESSAVG: 3750400 62.7907 -8.5461 -38.1137 -8.54616 -64.4844 -26.6418 -38.1137 -26.6418 1.31916 GPRESSAVG: 3750400 62.6378 -9.676 -39.1617 -8.07719 -65.6262 -29.6135 -37.5999 -25.0306 2.71257 TIMING: 3750400 CPU: 12121.4, 0.00400643/step Wall: 12121.4, 0.00400643/step, 1.39068 hours remaining, 234.648438 MB of memory in use. ENERGY: 3750400 3948.7186 20402.6539 14443.1828 244.6860 -202976.3813 2336.4581 0.0000 0.0000 51936.3513 -109664.3306 298.4789 -161600.6819 -109307.3831 298.7969 -16.5972 13.9430 761334.2211 -0.1249 -0.0919 PRESSURE: 3750600 4.08134 -14.0668 123.016 -14.0669 191.263 202.77 123.015 202.77 278.465 GPRESSURE: 3750600 111.992 -99.0836 111.376 34.1486 203.251 189.823 71.0935 70.1559 250.988 PRESSAVG: 3750600 60.4638 -74.6815 15.56 -74.6815 -26.6608 -1.24087 15.56 -1.24088 -4.19578 GPRESSAVG: 3750600 60.5568 -75.9638 15.4432 -73.7532 -26.6113 2.26424 15.6855 -5.74235 -4.00655 TIMING: 3750600 CPU: 12122.2, 0.00400881/step Wall: 12122.2, 0.00400881/step, 1.39128 hours remaining, 234.648438 MB of memory in use. ENERGY: 3750600 3937.5171 20591.8307 14448.8375 233.3479 -202980.7724 2515.9506 0.0000 0.0000 51961.5142 -109291.7744 298.6235 -161253.2886 -108931.5615 299.1243 157.9366 188.7437 762623.2896 9.8691 9.9797 PRESSURE: 3750800 -139.54 -318.378 43.3711 -318.378 -115.173 199.751 43.3708 199.75 -299.656 GPRESSURE: 3750800 -157.177 -159.955 136.838 -240.419 -83.2627 181.921 -5.52068 221.567 -217.329 PRESSAVG: 3750800 49.678 -25.963 -36.6505 -25.963 -15.4505 -8.20859 -36.6505 -8.2086 -27.7739 GPRESSAVG: 3750800 50.4074 -27.3346 -36.5402 -24.08 -15.6899 -9.71145 -35.514 -5.6493 -27.8552 TIMING: 3750800 CPU: 12123, 0.00401211/step Wall: 12123, 0.00401211/step, 1.3922 hours remaining, 234.648438 MB of memory in use. ENERGY: 3750800 3993.9399 20505.5447 14387.1589 242.7640 -202989.5485 2386.7954 0.0000 0.0000 52222.1205 -109251.2250 300.1212 -161473.3455 -108883.1094 299.2521 -184.7897 -152.5897 762524.6450 2.1512 2.2874 PRESSURE: 3751000 36.5151 -351.763 120.042 -351.763 -163.853 -294.788 120.042 -294.786 -356.772 GPRESSURE: 3751000 -23.2559 -296.199 221.863 -158.136 -12.1889 -224.507 147.757 -291.545 -354.897 PRESSAVG: 3751000 25.1968 -47.8937 24.4855 -47.8937 -11.7188 -29.8701 24.4855 -29.8702 1.04922 GPRESSAVG: 3751000 25.4496 -48.5262 24.3412 -47.2436 -11.4899 -29.9769 22.1256 -30.0766 0.672464 TIMING: 3751000 CPU: 12123.8, 0.00401002/step Wall: 12123.8, 0.00401002/step, 1.39125 hours remaining, 234.648438 MB of memory in use. ENERGY: 3751000 3980.1053 20454.9863 14544.0279 246.0225 -203004.4145 2270.6452 0.0000 0.0000 52129.9171 -109378.7103 299.5913 -161508.6274 -109010.7287 299.6170 -161.3699 -130.1141 761057.8219 4.8424 4.8774 PRESSURE: 3751200 289.049 -191.903 50.1691 -191.903 10.5357 -263.797 50.1683 -263.797 160.546 GPRESSURE: 3751200 269.473 -158.824 25.7368 -240.922 57.4937 -240.857 -30.7236 -147.07 197.802 PRESSAVG: 3751200 40.666 -72.8507 0.398918 -72.8507 -4.70572 -31.5562 0.398976 -31.5563 -0.68891 GPRESSAVG: 3751200 40.0937 -67.8069 -0.0830591 -76.0799 -3.59184 -30.3685 2.37928 -32.1499 -0.486452 TIMING: 3751200 CPU: 12124.6, 0.00401162/step Wall: 12124.6, 0.00401162/step, 1.39159 hours remaining, 234.648438 MB of memory in use. ENERGY: 3751200 3937.7390 20658.6732 14536.7159 268.2750 -203493.2391 2500.5078 0.0000 0.0000 52159.5783 -109431.7499 299.7618 -161591.3282 -109067.6995 298.9555 153.3769 174.9230 760015.5699 11.7571 12.0051 PRESSURE: 3751400 -19.4527 46.7912 18.1802 46.7906 -576.43 97.7957 18.1801 97.7953 33.5978 GPRESSURE: 3751400 -55.7838 11.0068 47.5096 1.83285 -520.074 74.4984 36.7027 55.4321 100.663 PRESSAVG: 3751400 58.3677 -21.5078 28.0903 -21.5078 -44.9368 -34.6377 28.0903 -34.6378 24.6218 GPRESSAVG: 3751400 58.2994 -24.3044 28.7305 -20.3802 -45.7696 -37.3461 26.9063 -33.4299 24.7768 TIMING: 3751400 CPU: 12125.4, 0.00401849/step Wall: 12125.4, 0.00401849/step, 1.39375 hours remaining, 234.648438 MB of memory in use. ENERGY: 3751400 4017.8453 20591.8674 14453.8836 244.6137 -203301.4284 2590.4025 0.0000 0.0000 52091.0580 -109311.7579 299.3680 -161402.8159 -108948.2371 299.5474 -187.4283 -158.3982 761617.9098 12.6843 12.4356 PRESSURE: 3751600 203.284 104.25 -16.1799 104.25 -140.195 258.856 -16.1799 258.854 117.66 GPRESSURE: 3751600 182.658 89.7182 -65.3054 120.689 -92.2117 252.587 20.0571 191.483 181.405 PRESSAVG: 3751600 38.1009 -77.8959 13.6126 -77.8959 -29.9897 12.6926 13.6125 12.6926 21.5715 GPRESSAVG: 3751600 37.6079 -79.4481 13.3726 -77.7896 -29.8166 14.4738 14.5511 10.2835 22.1932 TIMING: 3751600 CPU: 12126.2, 0.00404074/step Wall: 12126.2, 0.00404074/step, 1.40124 hours remaining, 234.648438 MB of memory in use. ENERGY: 3751600 3918.6879 20534.3851 14480.4168 255.4696 -203371.2475 2759.8893 0.0000 0.0000 51889.9877 -109532.4109 298.2125 -161422.3987 -109179.2614 299.2771 60.2497 90.6170 761365.8165 9.8942 9.9948 PRESSURE: 3751800 38.6968 -53.9133 72.3921 -53.9134 -171.427 -130.028 72.3911 -130.029 28.9732 GPRESSURE: 3751800 82.2274 -155.774 81.6148 -63.8026 -104.993 -147.596 -37.8739 -137.185 2.33749 PRESSAVG: 3751800 -20.977 -135.183 4.8991 -135.183 13.1385 2.85447 4.89909 2.85442 2.34888 GPRESSAVG: 3751800 -20.5355 -133.756 6.21083 -136.727 14.6445 3.51872 4.42945 5.36414 0.46323 TIMING: 3751800 CPU: 12127, 0.00401721/step Wall: 12127, 0.00401721/step, 1.39285 hours remaining, 234.648438 MB of memory in use. ENERGY: 3751800 3952.2525 20454.8518 14455.1608 243.0283 -203270.2933 2479.9155 0.0000 0.0000 52083.5946 -109601.4898 299.3251 -161685.0845 -109240.3108 299.0168 -34.5856 -6.8095 761285.9149 -1.8299 -1.8092 PRESSURE: 3752000 -31.1671 -79.4184 55.7861 -79.4182 -221.118 -365.257 55.786 -365.257 -212.942 GPRESSURE: 3752000 5.47659 -17.6083 108.286 -104.84 -226.639 -385.76 -3.95004 -245.632 -161.773 PRESSAVG: 3752000 5.84261 -27.8292 4.28681 -27.8291 39.1235 -8.85118 4.28677 -8.85119 -2.53298 GPRESSAVG: 3752000 6.82745 -28.9232 3.44016 -25.3928 37.5933 -9.70244 3.22757 -8.91891 -1.9289 TIMING: 3752000 CPU: 12127.8, 0.0040077/step Wall: 12127.8, 0.0040077/step, 1.38933 hours remaining, 234.648438 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: 3752000 3981.9741 20446.1860 14451.4682 262.5950 -203613.1471 2602.1464 0.0000 0.0000 51993.7659 -109875.0116 298.8089 -161868.7775 -109514.6972 298.9861 -155.0757 -127.6450 761301.0212 14.1444 14.1639 PRESSURE: 3752200 -153.781 -85.3874 120.686 -85.3866 177.665 -5.38457 120.686 -5.38379 -182.177 GPRESSURE: 3752200 -8.42278 12.23 118.371 -195.555 99.7503 53.2256 162.556 -62.2491 -141.868 PRESSAVG: 3752200 -3.69988 -7.72908 -33.7376 -7.72913 24.7992 28.8582 -33.7375 28.8581 -6.89732 GPRESSAVG: 3752200 -4.57113 -5.97707 -33.5925 -8.57888 25.3379 28.7397 -32.0702 29.573 -6.40868 TIMING: 3752200 CPU: 12128.6, 0.00400803/step Wall: 12128.6, 0.00400803/step, 1.38923 hours remaining, 234.648438 MB of memory in use. ENERGY: 3752200 3931.4493 20395.4108 14460.4540 255.4029 -203721.3730 2629.7024 0.0000 0.0000 52283.4576 -109765.4960 300.4737 -162048.9536 -109404.5051 298.6312 -52.7644 -16.8470 760216.2262 4.7340 4.7860 LDB: ============= START OF LOAD BALANCING ============== 12141.1 LDB: ============== END OF LOAD BALANCING =============== 12141.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12141.1 LDB: ============= START OF LOAD BALANCING ============== 12141.5 LDB: Largest compute 7068 load 0.030660 is 15.9% of average load 0.193264 LDB: Average compute 0.004453 is 2.3% of average load 0.193264 LDB: TIME 12141.5 LOAD: AVG 0.193264 MAX 0.212368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.082 MB LDB: TIME 12141.5 LOAD: AVG 0.193264 MAX 0.212368 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: TIME 12141.5 LOAD: AVG 0.193264 MAX 0.212368 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: ============== END OF LOAD BALANCING =============== 12141.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12141.5 PRESSURE: 3752400 -254.025 70.6801 75.5815 70.6794 375.103 -122.404 75.5817 -122.403 155.411 GPRESSURE: 3752400 -247.922 30.91 87.4387 116.078 406.899 -167.148 37.4183 -227.53 199.41 PRESSAVG: 3752400 -38.0835 -41.0427 20.8517 -41.0427 11.2103 15.2991 20.8516 15.299 -14.5421 GPRESSAVG: 3752400 -37.8914 -41.5999 21.0188 -39.808 10.5624 16.6848 20.6286 14.3909 -14.1897 TIMING: 3752400 CPU: 12129.4, 0.00408158/step Wall: 12129.4, 0.00408158/step, 1.41449 hours remaining, 234.398438 MB of memory in use. ENERGY: 3752400 3951.4057 20471.7096 14369.3449 257.7460 -203382.0302 2486.2777 0.0000 0.0000 52182.9340 -109662.6124 299.8960 -161845.5464 -109299.6991 299.2510 92.1631 119.4625 759050.6916 -13.8051 -13.8396 PRESSURE: 3752600 352.393 12.3744 137.94 12.3748 -160.053 155.358 137.939 155.359 259.669 GPRESSURE: 3752600 313.123 -29.0563 160.511 -89.3846 -43.4018 149.097 93.8942 172.292 271.592 PRESSAVG: 3752600 51.1592 -5.99781 -36.1041 -5.99777 -19.0351 9.83745 -36.104 9.83751 1.51882 GPRESSAVG: 3752600 49.8147 -5.7872 -36.0472 -8.29966 -17.6075 9.03306 -36.6116 9.04958 1.89346 TIMING: 3752600 CPU: 12130.2, 0.00400254/step Wall: 12130.2, 0.00400254/step, 1.38688 hours remaining, 234.601562 MB of memory in use. ENERGY: 3752600 3945.0612 20623.0935 14434.7958 225.2696 -203453.9483 2527.0805 0.0000 0.0000 52044.8265 -109653.8210 299.1023 -161698.6476 -109291.4609 299.1791 150.6696 180.4378 760199.6748 11.2143 11.3669 PRESSURE: 3752800 94.0344 -5.26235 54.7037 -5.26224 -0.10016 -51.2078 54.7041 -51.2072 -124.846 GPRESSURE: 3752800 175.198 143.918 82.6392 -49.45 -32.2807 -48.8557 -33.921 -16.5254 -103.085 PRESSAVG: 3752800 54.9852 -27.0785 20.8954 -27.0785 -26.7103 27.9946 20.8954 27.9946 0.46514 GPRESSAVG: 3752800 56.2172 -28.7387 20.5023 -24.0015 -27.3269 29.0427 19.5917 28.175 -0.279198 TIMING: 3752800 CPU: 12131, 0.00402688/step Wall: 12131, 0.00402688/step, 1.39509 hours remaining, 234.601562 MB of memory in use. ENERGY: 3752800 3971.1866 20750.0422 14423.5549 233.1772 -203606.0401 2427.1112 0.0000 0.0000 52061.6295 -109739.3385 299.1989 -161800.9680 -109368.3366 299.3023 -10.3040 13.2776 759658.3198 9.5800 9.5370 PRESSURE: 3753000 173.182 -133.805 -321.614 -133.804 73.0037 -341.946 -321.614 -341.945 198.439 GPRESSURE: 3753000 195.893 -32.4229 -220.381 -77.878 104.388 -375.958 -289.278 -254.726 209.686 PRESSAVG: 3753000 11.8995 -10.8566 -19.6061 -10.8566 -18.41 -37.1683 -19.6061 -37.1684 -27.6896 GPRESSAVG: 3753000 12.6992 -10.2044 -20.0934 -13.4629 -19.3988 -37.6691 -17.5583 -37.0825 -27.1668 TIMING: 3753000 CPU: 12131.8, 0.00399044/step Wall: 12131.8, 0.00399044/step, 1.38224 hours remaining, 234.601562 MB of memory in use. ENERGY: 3753000 3997.8848 20643.5939 14426.9600 235.7489 -203795.9383 2615.0736 0.0000 0.0000 52268.9532 -109607.7238 300.3904 -161876.6770 -109239.4235 299.2479 148.2081 169.9891 760549.1661 -11.4000 -11.2888 PRESSURE: 3753200 -34.9409 -60.3761 -6.41928 -60.376 -71.883 38.3452 -6.41963 38.3455 30.823 GPRESSURE: 3753200 -30.7032 -68.2282 -20.422 -8.15757 21.2859 66.5249 -25.0374 -8.33732 50.5248 PRESSAVG: 3753200 2.18523 -23.5791 0.685506 -23.5791 25.8247 -27.9855 0.685373 -27.9855 -18.0673 GPRESSAVG: 3753200 1.07522 -23.5834 1.11998 -22.6622 28.501 -28.6303 -0.357773 -27.2235 -19.1106 TIMING: 3753200 CPU: 12132.6, 0.00397278/step Wall: 12132.6, 0.00397278/step, 1.37591 hours remaining, 234.601562 MB of memory in use. ENERGY: 3753200 4003.3338 20475.3607 14495.9875 258.4004 -203481.9923 2665.1746 0.0000 0.0000 51921.8080 -109661.9273 298.3953 -161583.7353 -109298.6478 299.3403 -25.3336 13.7025 761298.0813 3.3142 3.4885 PRESSURE: 3753400 -180.183 -189.963 -101.729 -189.963 -200.799 -159.153 -101.728 -159.153 206.196 GPRESSURE: 3753400 -147.36 -154.63 16.7834 -249.735 -124.45 -116.523 -13.3729 -111.957 197.314 PRESSAVG: 3753400 -28.2359 -56.7923 -22.4324 -56.7923 28.8568 -29.5433 -22.4324 -29.5432 -17.4401 GPRESSAVG: 3753400 -27.3758 -57.0071 -23.4927 -58.0029 27.3959 -28.4045 -23.4956 -30.8025 -17.064 TIMING: 3753400 CPU: 12133.4, 0.00401498/step Wall: 12133.4, 0.00401498/step, 1.3903 hours remaining, 234.601562 MB of memory in use. ENERGY: 3753400 3946.4825 20480.8926 14496.5933 235.2070 -203344.3132 2472.4228 0.0000 0.0000 52048.6478 -109664.0673 299.1243 -161712.7151 -109297.8644 299.0371 -58.2621 -24.8318 761962.8922 -5.6064 -5.6813 PRESSURE: 3753600 -66.2744 177.625 -140.395 177.626 46.9626 -112.645 -140.395 -112.645 131.534 GPRESSURE: 3753600 30.8678 146.903 -119.658 144.549 30.9228 -126.043 -160.801 -90.0369 125.609 PRESSAVG: 3753600 49.1251 -20.3078 29.2142 -20.3079 -24.5388 -27.0846 29.2142 -27.0847 -8.51941 GPRESSAVG: 3753600 48.2338 -19.6722 31.8478 -19.0162 -24.841 -26.0001 28.4039 -28.0767 -7.49867 TIMING: 3753600 CPU: 12134.2, 0.00402148/step Wall: 12134.2, 0.00402148/step, 1.39232 hours remaining, 234.601562 MB of memory in use. ENERGY: 3753600 4061.5342 20481.3463 14421.5095 225.2186 -203445.5850 2669.3829 0.0000 0.0000 52032.9351 -109553.6585 299.0340 -161586.5936 -109186.3934 299.2488 37.4075 62.4667 761982.9646 5.3556 5.2981 PRESSURE: 3753800 294.163 -198.473 -193.47 -198.473 223.335 -193.084 -193.469 -193.083 -70.346 GPRESSURE: 3753800 311.774 -188.738 -279.107 -117.92 199.27 -207.936 -164.494 -293.313 39.7056 PRESSAVG: 3753800 -7.46553 -63.2617 -4.03332 -63.2617 -29.0833 -32.6538 -4.03331 -32.6538 -19.8205 GPRESSAVG: 3753800 -6.01562 -65.2853 -5.82337 -62.8214 -28.1406 -34.6801 -5.17132 -30.1109 -22.2305 TIMING: 3753800 CPU: 12135, 0.00401735/step Wall: 12135, 0.00401735/step, 1.39067 hours remaining, 234.726562 MB of memory in use. ENERGY: 3753800 4021.7272 20546.1931 14461.0939 229.9517 -203482.6158 2796.9555 0.0000 0.0000 51711.9184 -109714.7760 297.1891 -161426.6944 -109356.2015 298.6693 149.0508 183.5831 760907.3604 -18.7898 -18.7956 PRESSURE: 3754000 -78.912 -35.6517 286.405 -35.6515 -95.7174 129.5 286.405 129.5 -7.22162 GPRESSURE: 3754000 -69.6717 -19.6192 314.16 -56.1405 -20.7976 183.982 390.843 104.433 -11.7387 PRESSAVG: 3754000 18.4921 -41.3773 6.54343 -41.3773 10.6564 18.0574 6.54336 18.0574 -11.2595 GPRESSAVG: 3754000 18.5062 -41.0551 8.18553 -43.1969 9.90649 18.7102 8.28518 14.6438 -10.9013 TIMING: 3754000 CPU: 12135.8, 0.0040317/step Wall: 12135.8, 0.0040317/step, 1.39542 hours remaining, 234.863281 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: 3754000 4043.8475 20570.4558 14429.3228 241.3046 -203055.6629 2217.9872 0.0000 0.0000 51920.6403 -109632.1047 298.3886 -161552.7450 -109268.0468 299.0342 -60.6170 -34.0693 761677.2864 5.9630 5.8371 PRESSURE: 3754200 -247.509 -9.90929 117.657 -9.90907 -71.7957 -50.4789 117.657 -50.4791 -429.558 GPRESSURE: 3754200 -205.334 120.307 152.54 40.7622 -81.205 -50.6669 48.317 19.7403 -364.189 PRESSAVG: 3754200 28.8926 -78.0683 3.24043 -78.0683 -35.2138 40.0648 3.24041 40.0648 -16.4865 GPRESSAVG: 3754200 27.0501 -75.5287 1.99341 -77.9361 -34.7702 39.692 3.37819 39.5623 -15.2113 TIMING: 3754200 CPU: 12136.6, 0.00401725/step Wall: 12136.6, 0.00401725/step, 1.39019 hours remaining, 235.003906 MB of memory in use. ENERGY: 3754200 4047.3849 20456.1421 14516.9685 252.0223 -203117.0585 2146.0497 0.0000 0.0000 52083.0857 -109615.4054 299.3222 -161698.4911 -109247.5702 299.3637 -249.6210 -216.9095 760941.8456 -7.6026 -7.6438 PRESSURE: 3754400 -115.228 -28.9507 261.397 -28.9504 245.085 9.12847 261.397 9.12832 -387.494 GPRESSURE: 3754400 -128.708 -156.208 219.305 -18.8795 334.17 50.408 245.193 70.2211 -387.815 PRESSAVG: 3754400 13.1105 -81.865 35.1465 -81.865 -28.2126 46.5733 35.1465 46.5733 -1.27043 GPRESSAVG: 3754400 13.9915 -83.2257 35.0469 -81.8361 -28.7421 45.633 34.1825 49.0636 -1.37486 TIMING: 3754400 CPU: 12137.4, 0.00400843/step Wall: 12137.4, 0.00400843/step, 1.38692 hours remaining, 235.003906 MB of memory in use. ENERGY: 3754400 4041.6013 20455.9183 14414.0586 262.1902 -203186.8504 2643.2923 0.0000 0.0000 51779.8103 -109589.9797 297.5793 -161369.7899 -109233.8885 299.0396 -85.8791 -60.7845 762411.8278 -5.4575 -5.3752 PRESSURE: 3754600 -95.8612 165.194 12.3315 165.195 -198.128 82.5674 12.3325 82.5681 -470.868 GPRESSURE: 3754600 -20.8214 151.255 -2.15027 90.128 -123.61 114.495 -57.0826 29.4762 -527.786 PRESSAVG: 3754600 22.0627 -42.4865 -49.4056 -42.4865 -42.8418 -9.22065 -49.4056 -9.22065 -3.90177 GPRESSAVG: 3754600 21.3883 -41.232 -47.1779 -43.9807 -40.9711 -9.98402 -48.1081 -7.26888 -4.5968 TIMING: 3754600 CPU: 12138.2, 0.00401414/step Wall: 12138.2, 0.00401414/step, 1.38867 hours remaining, 235.003906 MB of memory in use. ENERGY: 3754600 4054.5301 20451.1405 14457.7629 251.0306 -203299.3048 2557.2520 0.0000 0.0000 52043.1246 -109484.4641 299.0926 -161527.5887 -109117.6464 298.2931 -254.9524 -224.0726 761034.4018 -8.2269 -8.0599 PRESSURE: 3754800 102.854 -55.3405 198.008 -55.3412 201.383 -94.3464 198.008 -94.3464 12.1888 GPRESSURE: 3754800 224.362 -70.3332 109.323 -26.1448 153.341 -14.591 49.9884 -195.034 14.7657 PRESSAVG: 3754800 23.0072 -10.8163 1.58468 -10.8163 29.6526 -9.33613 1.58467 -9.33614 -16.3996 GPRESSAVG: 3754800 23.5971 -11.3395 -0.788664 -9.98287 28.2196 -9.79704 2.27761 -10.1797 -15.5323 TIMING: 3754800 CPU: 12139, 0.00403472/step Wall: 12139, 0.00403472/step, 1.39556 hours remaining, 235.003906 MB of memory in use. ENERGY: 3754800 4065.9406 20403.2437 14431.6973 229.6590 -203081.2339 2622.9098 0.0000 0.0000 52017.9959 -109309.7875 298.9481 -161327.7835 -108951.6491 299.1797 105.4754 130.8226 760133.8693 12.0867 12.0948 PRESSURE: 3755000 -169.326 72.2127 -81.1323 72.2132 -69.2598 -8.44362 -81.1318 -8.4439 159.686 GPRESSURE: 3755000 -203.529 -35.7213 -115.276 78.1773 65.0564 -80.7437 -163.284 11.1493 142.398 PRESSAVG: 3755000 -26.3703 -62.2114 4.08388 -62.2114 20.2383 -27.0781 4.08382 -27.0781 -5.86095 GPRESSAVG: 3755000 -25.037 -61.6997 2.52978 -64.0872 20.7331 -25.1307 2.34415 -28.505 -7.16357 TIMING: 3755000 CPU: 12139.8, 0.00403727/step Wall: 12139.8, 0.00403727/step, 1.39622 hours remaining, 235.003906 MB of memory in use. ENERGY: 3755000 3981.0249 20444.1705 14473.8727 236.3352 -203060.9868 2580.0333 0.0000 0.0000 51756.8393 -109588.7108 297.4473 -161345.5501 -109224.8529 298.6589 -26.2996 1.3084 760931.4005 -3.9977 -3.8225 PRESSURE: 3755200 104.685 -249.776 -175.556 -249.776 -121.429 30.5835 -175.557 30.5844 73.8065 GPRESSURE: 3755200 133.291 -224.11 -134.636 -273.042 -113.093 6.60595 -264.009 77.8878 128.135 PRESSAVG: 3755200 36.4699 -62.8295 -11.0002 -62.8295 -53.7968 -8.21298 -11.0001 -8.21289 -11.0868 GPRESSAVG: 3755200 36.3716 -63.1835 -10.989 -61.7762 -54.1984 -7.87815 -9.42038 -10.2855 -10.4522 TIMING: 3755200 CPU: 12140.6, 0.00401373/step Wall: 12140.6, 0.00401373/step, 1.38786 hours remaining, 235.003906 MB of memory in use. ENERGY: 3755200 4007.7428 20354.9516 14427.8110 243.5339 -202989.1611 2244.4057 0.0000 0.0000 52172.8314 -109537.8847 299.8380 -161710.7161 -109173.3801 298.5570 19.0207 49.4446 760249.4218 -9.4712 -9.4263 PRESSURE: 3755400 341.406 -230.048 -242.282 -230.049 60.0432 -74.8189 -242.281 -74.8199 81.2005 GPRESSURE: 3755400 323.274 -248.261 -142.558 -280.236 168.779 -78.0888 -119.875 -37.9706 83.2195 PRESSAVG: 3755400 45.5867 -106.242 5.71582 -106.242 -29.6345 -15.211 5.71584 -15.211 -31.8017 GPRESSAVG: 3755400 44.5334 -106.321 6.27896 -105.505 -29.5704 -16.3403 7.44012 -13.4961 -31.3494 TIMING: 3755400 CPU: 12141.4, 0.00401595/step Wall: 12141.4, 0.00401595/step, 1.3884 hours remaining, 235.003906 MB of memory in use. ENERGY: 3755400 4047.7988 20432.8282 14530.8460 252.9592 -203026.1690 2364.2463 0.0000 0.0000 51961.4541 -109436.0364 298.6232 -161397.4905 -109084.3564 299.1719 160.8832 191.7574 758342.0430 -5.2832 -5.4621 PRESSURE: 3755600 276.034 150.288 42.8784 150.289 58.1712 -168.058 42.8787 -168.058 141.654 GPRESSURE: 3755600 319.701 66.0819 12.9324 144.359 142.123 -145.084 124.126 -173.981 107.581 PRESSAVG: 3755600 41.4272 -59.1149 -7.21566 -59.1148 11.4012 -35.0654 -7.21565 -35.0654 -12.492 GPRESSAVG: 3755600 41.9848 -60.2963 -6.64378 -58.3208 11.5955 -34.8053 -8.14844 -35.1072 -13.0708 TIMING: 3755600 CPU: 12142.2, 0.00400739/step Wall: 12142.2, 0.00400739/step, 1.38522 hours remaining, 235.003906 MB of memory in use. ENERGY: 3755600 3962.5967 20433.0654 14419.8937 250.8192 -203196.7897 2506.3967 0.0000 0.0000 52156.4884 -109467.5294 299.7441 -161624.0179 -109098.1277 299.4115 158.6197 189.8018 759393.4190 13.4454 13.5032 PRESSURE: 3755800 -83.1929 -67.3109 -74.2169 -67.3113 -90.0095 -26.5949 -74.2166 -26.5963 -53.4947 GPRESSURE: 3755800 -85.1013 -28.5878 -68.609 -83.9677 -95.3858 -153.732 -82.7167 21.256 20.1309 PRESSAVG: 3755800 -16.87 -22.4884 7.50316 -22.4884 -1.2721 -47.9404 7.50318 -47.9405 14.7461 GPRESSAVG: 3755800 -16.738 -22.1938 7.55404 -22.7152 -2.06176 -49.7552 8.58696 -46.2402 15.1188 TIMING: 3755800 CPU: 12143, 0.00401016/step Wall: 12143, 0.00401016/step, 1.38596 hours remaining, 235.003906 MB of memory in use. ENERGY: 3755800 3970.2334 20421.0182 14437.5207 248.0831 -203005.1466 2305.6502 0.0000 0.0000 51811.2908 -109811.3502 297.7602 -161622.6409 -109445.6189 298.9877 -75.5657 -53.4521 761233.1822 -1.1320 -1.2270 PRESSURE: 3756000 220.823 83.8923 -9.07285 83.892 -47.1609 155.152 -9.07364 155.152 -130.24 GPRESSURE: 3756000 215.546 75.3548 82.9579 62.2242 74.9402 117.553 -1.99059 87.5949 -168.115 PRESSAVG: 3756000 -33.9171 46.6295 -4.59025 46.6295 20.2984 -26.3442 -4.59032 -26.3441 -1.62757 GPRESSAVG: 3756000 -35.1767 45.6904 -5.64314 46.2507 21.0438 -24.2811 -6.44561 -26.444 -0.918706 TIMING: 3756000 CPU: 12143.8, 0.00403107/step Wall: 12143.8, 0.00403107/step, 1.39296 hours remaining, 235.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3756000 4025.4148 20434.1659 14531.5566 232.0875 -203771.7878 2863.9547 0.0000 0.0000 51604.5833 -110080.0250 296.5722 -161684.6083 -109729.0016 298.3960 14.4738 40.7902 759494.1106 -5.0821 -5.0172 PRESSURE: 3756200 25.2939 -150.588 -72.4081 -150.587 292.572 -306.764 -72.4087 -306.764 241.126 GPRESSURE: 3756200 1.85457 -194.769 -98.6587 -180.185 380.083 -328.872 27.6021 -364.854 270.219 PRESSAVG: 3756200 -56.2053 14.0611 9.43976 14.0611 75.6246 -12.0184 9.43975 -12.0183 14.4201 GPRESSAVG: 3756200 -56.3171 12.5909 8.98445 15.727 75.5117 -12.7951 10.9358 -13.0668 14.8086 TIMING: 3756200 CPU: 12144.7, 0.00401904/step Wall: 12144.7, 0.00401904/step, 1.38858 hours remaining, 235.003906 MB of memory in use. ENERGY: 3756200 3939.9966 20453.1791 14441.0835 231.8862 -203295.0269 2351.1215 0.0000 0.0000 51743.3750 -110134.3851 297.3699 -161877.7601 -109770.1219 298.1718 186.3306 217.3856 759707.4825 11.2798 11.3344 LDB: ============= START OF LOAD BALANCING ============== 12157.2 LDB: ============== END OF LOAD BALANCING =============== 12157.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12157.2 LDB: ============= START OF LOAD BALANCING ============== 12157.6 LDB: Largest compute 7068 load 0.033990 is 17.6% of average load 0.193386 LDB: Average compute 0.004463 is 2.3% of average load 0.193386 LDB: TIME 12157.6 LOAD: AVG 0.193386 MAX 0.211139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 12157.6 LOAD: AVG 0.193386 MAX 0.211139 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: TIME 12157.6 LOAD: AVG 0.193386 MAX 0.211139 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: ============== END OF LOAD BALANCING =============== 12157.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12157.6 PRESSURE: 3756400 -250.55 -120.273 -25.0824 -120.273 -67.8862 45.4538 -25.0824 45.4537 66.2803 GPRESSURE: 3756400 -190.266 -215.668 -48.6968 -57.0542 -84.5828 35.7192 149.172 142.242 100.603 PRESSAVG: 3756400 -48.8796 -45.5198 25.8595 -45.5198 51.6833 47.2264 25.8595 47.2264 -26.9596 GPRESSAVG: 3756400 -48.606 -42.4467 26.2745 -48.0509 51.3754 47.3007 25.0047 47.384 -26.5622 TIMING: 3756400 CPU: 12145.5, 0.0040934/step Wall: 12145.5, 0.0040934/step, 1.41404 hours remaining, 234.710938 MB of memory in use. ENERGY: 3756400 4058.1090 20415.1847 14500.1549 231.4283 -203322.0625 2406.5042 0.0000 0.0000 51766.7204 -109943.9609 297.5041 -161710.6814 -109595.0174 297.8383 -84.0520 -58.0820 760180.7981 -8.0520 -7.9309 PRESSURE: 3756600 88.5727 262.946 -130.908 262.946 100.903 -57.1928 -130.907 -57.1922 141.328 GPRESSURE: 3756600 186.102 250.507 -59.426 145.575 45.6761 -95.0597 -141.579 41.5429 181.046 PRESSAVG: 3756600 -47.0902 -21.2941 22.8981 -21.294 27.1064 40.314 22.8982 40.3141 -7.84291 GPRESSAVG: 3756600 -45.8692 -20.7221 22.6978 -18.4348 26.1459 39.9221 23.8443 38.9476 -8.5337 TIMING: 3756600 CPU: 12146.3, 0.00402788/step Wall: 12146.3, 0.00402788/step, 1.39119 hours remaining, 235.046875 MB of memory in use. ENERGY: 3756600 3976.5607 20630.6669 14399.6983 252.9885 -203361.4642 2220.9546 0.0000 0.0000 51912.7666 -109967.8285 298.3434 -161880.5951 -109622.2846 298.4082 110.2681 137.6078 759003.0898 -9.2756 -9.4190 PRESSURE: 3756800 47.4422 -131.16 -81.6229 -131.161 -175.081 -179.071 -81.6233 -179.072 -391.455 GPRESSURE: 3756800 123.06 -238.175 -97.2559 -216.257 -57.1342 -219.886 -78.2896 -177.004 -476.001 PRESSAVG: 3756800 1.47301 -20.756 17.1843 -20.756 18.5444 -57.9955 17.1843 -57.9955 -19.2859 GPRESSAVG: 3756800 0.500146 -21.3301 18.4347 -23.8458 20.2575 -58.4645 14.3893 -56.5406 -20.0771 TIMING: 3756800 CPU: 12147.1, 0.00400642/step Wall: 12147.1, 0.00400642/step, 1.38355 hours remaining, 235.062500 MB of memory in use. ENERGY: 3756800 3964.0048 20415.5217 14520.8251 244.1034 -203559.8660 2507.9242 0.0000 0.0000 51824.7803 -110082.7065 297.8377 -161907.4868 -109718.1675 298.2379 -173.0310 -136.6920 759941.8521 0.2438 0.2269 PRESSURE: 3757000 -272.716 -156.857 202.771 -156.857 -346.395 -129.935 202.77 -129.935 -125.442 GPRESSURE: 3757000 -288.603 -53.9761 207.614 -93.5018 -285.595 -149.199 244.895 -73.7957 -83.4885 PRESSAVG: 3757000 19.4556 -24.6767 51.7758 -24.6768 -16.2859 -25.2723 51.7758 -25.2723 -17.1767 GPRESSAVG: 3757000 20.08 -26.2029 50.818 -22.598 -17.4421 -25.0554 54.0889 -25.6241 -16.9715 TIMING: 3757000 CPU: 12147.9, 0.00401102/step Wall: 12147.9, 0.00401102/step, 1.38492 hours remaining, 235.062500 MB of memory in use. ENERGY: 3757000 3992.6413 20322.9364 14520.2636 252.0141 -203134.0306 2171.6757 0.0000 0.0000 51636.3897 -110238.1099 296.7550 -161874.4996 -109878.0610 297.5039 -248.1843 -219.2287 760799.5889 -4.6690 -4.7778 PRESSURE: 3757200 378.098 -23.9394 126.201 -23.939 354.877 279.776 126.201 279.775 332.729 GPRESSURE: 3757200 429.199 15.429 127.965 -33.5616 403.695 223.845 -8.99218 189.374 322.612 PRESSAVG: 3757200 -17.5508 -52.0376 -1.68465 -52.0376 6.52015 -27.5341 -1.68463 -27.534 1.39938 GPRESSAVG: 3757200 -17.1248 -49.1151 -1.38005 -55.1528 6.61669 -26.3447 -2.53129 -29.1609 0.82067 TIMING: 3757200 CPU: 12148.7, 0.00398733/step Wall: 12148.7, 0.00398733/step, 1.37651 hours remaining, 235.062500 MB of memory in use. ENERGY: 3757200 3904.6292 20521.1582 14443.5288 238.9375 -203979.1217 2845.2041 0.0000 0.0000 51897.0014 -110128.6626 298.2528 -162025.6640 -109776.8880 297.0286 355.2350 385.1686 758677.4277 -3.2104 -3.2291 PRESSURE: 3757400 -244.46 231.764 -193.895 231.763 102.498 -77.8112 -193.895 -77.8111 139.334 GPRESSURE: 3757400 -243.584 137.642 -211.039 190.759 181.059 -62.529 -136.07 -103.114 137.914 PRESSAVG: 3757400 5.79874 -24.9019 -15.9213 -24.9019 10.9238 -21.9616 -15.9214 -21.9616 -23.1902 GPRESSAVG: 3757400 5.51178 -30.1764 -14.7422 -19.7286 10.1437 -23.0489 -16.845 -21.6253 -22.9045 TIMING: 3757400 CPU: 12149.5, 0.00399997/step Wall: 12149.5, 0.00399997/step, 1.38066 hours remaining, 235.062500 MB of memory in use. ENERGY: 3757400 3986.9952 20477.2465 14449.1716 235.0261 -203667.2361 2688.9361 0.0000 0.0000 51782.2402 -110047.6203 297.5932 -161829.8606 -109684.5830 297.8715 -0.8761 25.1297 761277.3605 -2.1559 -2.4163 PRESSURE: 3757600 -389.382 -372.762 9.4556 -372.762 87.8302 -74.5816 9.45527 -74.5824 -226.854 GPRESSURE: 3757600 -366.213 -283.358 -33.7453 -252.131 83.8769 -21.2661 -15.9718 32.4389 -173.326 PRESSAVG: 3757600 28.7003 -38.8958 57.631 -38.8958 13.0496 14.8614 57.631 14.8615 -0.200196 GPRESSAVG: 3757600 28.2947 -33.5001 55.5441 -41.5278 12.7393 14.2411 58.6699 15.3747 0.419646 TIMING: 3757600 CPU: 12150.3, 0.00401242/step Wall: 12150.3, 0.00401242/step, 1.38473 hours remaining, 235.062500 MB of memory in use. ENERGY: 3757600 3943.8966 20314.7720 14472.6658 236.8142 -203347.5141 2162.2830 0.0000 0.0000 51941.1945 -110275.8880 298.5068 -162217.0825 -109922.5205 297.4978 -176.1351 -151.8875 760901.0760 13.8499 13.8179 PRESSURE: 3757800 82.0262 -85.4844 -40.2104 -85.4841 228.481 -147.419 -40.2108 -147.418 43.8487 GPRESSURE: 3757800 145.069 -52.3036 41.0529 -117.44 255.534 -89.1512 83.5673 -169.841 56.3206 PRESSAVG: 3757800 47.204 -50.5961 34.3688 -50.5961 -2.92561 28.361 34.3687 28.3611 13.6602 GPRESSAVG: 3757800 47.8759 -52.1687 36.6795 -50.9824 -3.34536 30.5003 31.847 29.5039 13.5796 TIMING: 3757800 CPU: 12151.1, 0.00399425/step Wall: 12151.1, 0.00399425/step, 1.37824 hours remaining, 235.062500 MB of memory in use. ENERGY: 3757800 3863.0535 20477.6083 14432.9862 261.4835 -203790.1508 2895.4169 0.0000 0.0000 51722.4642 -110137.1382 297.2497 -161859.6024 -109778.8712 297.4140 118.1187 152.3078 759449.9760 19.3129 19.3701 PRESSURE: 3758000 -207.81 -19.603 -209.649 -19.6025 -47.5388 206.465 -209.648 206.464 56.3797 GPRESSURE: 3758000 -126.59 -42.5792 -203.888 77.048 -84.5126 149.349 -101.88 257.208 76.9007 PRESSAVG: 3758000 9.71887 -30.2772 73.7738 -30.2772 -0.943918 7.58803 73.7738 7.58795 10.3973 GPRESSAVG: 3758000 9.4618 -29.7781 73.0164 -29.6986 0.350302 5.53408 74.3811 6.86938 9.73725 TIMING: 3758000 CPU: 12151.9, 0.0039729/step Wall: 12151.9, 0.0039729/step, 1.37065 hours remaining, 235.062500 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: 3758000 3940.4652 20228.9885 14441.6974 218.3682 -203420.9341 2571.6394 0.0000 0.0000 51767.2151 -110252.5603 297.5069 -162019.7754 -109879.8142 297.8888 -66.3229 -44.7341 759528.0950 6.3908 6.5165 PRESSURE: 3758200 68.9873 69.8594 127.828 69.8583 -105.18 -107.295 127.828 -107.294 112.463 GPRESSURE: 3758200 86.6022 86.9111 207.672 -20.889 -43.652 -146.824 19.1051 -57.7606 114.209 PRESSAVG: 3758200 5.84255 -29.535 33.7408 -29.535 -10.0625 -50.4042 33.7408 -50.4042 -15.2663 GPRESSAVG: 3758200 5.56825 -30.6722 33.7248 -28.9854 -9.9258 -49.566 33.5474 -49.6472 -15.1306 TIMING: 3758200 CPU: 12152.7, 0.00399495/step Wall: 12152.7, 0.00399495/step, 1.37804 hours remaining, 235.062500 MB of memory in use. ENERGY: 3758200 4039.9231 20395.7879 14449.3071 226.2357 -203576.9368 2557.3248 0.0000 0.0000 51873.7385 -110034.6196 298.1191 -161908.3581 -109676.3251 297.7518 25.4238 52.3864 759308.5618 -6.4954 -6.4960 PRESSURE: 3758400 -49.0167 -99.6288 -9.17134 -99.6296 187.446 110.972 -9.17132 110.973 44.8421 GPRESSURE: 3758400 98.0231 -77.6858 -64.6948 -62.6108 182.566 70.5648 96.8621 125.974 5.40968 PRESSAVG: 3758400 3.05626 -102.247 59.7525 -102.247 5.19296 33.102 59.7526 33.1021 -0.15654 GPRESSAVG: 3758400 2.60804 -101.497 60.8798 -104.54 5.27926 32.5381 60.6805 33.0231 0.852637 TIMING: 3758400 CPU: 12153.5, 0.00399188/step Wall: 12153.5, 0.00399188/step, 1.37676 hours remaining, 235.062500 MB of memory in use. ENERGY: 3758400 3878.1457 20373.1556 14462.1818 242.1325 -203233.8099 2271.9184 0.0000 0.0000 51948.2709 -110058.0050 298.5474 -162006.2760 -109697.3626 297.7460 61.0905 95.3329 759305.7859 2.6976 2.9133 PRESSURE: 3758600 -140.753 -71.4822 100.465 -71.4822 -55.9011 144.262 100.466 144.262 -65.616 GPRESSURE: 3758600 -129.83 -174.398 169.062 -37.7781 19.4664 51.6536 -83.8728 70.4752 -69.9659 PRESSAVG: 3758600 25.3208 -31.1382 10.6886 -31.1382 34.6837 34.1617 10.6886 34.1617 16.7478 GPRESSAVG: 3758600 25.8992 -29.9022 8.66898 -31.5437 34.6523 36.2819 10.308 31.7493 16.7164 TIMING: 3758600 CPU: 12154.3, 0.00399827/step Wall: 12154.3, 0.00399827/step, 1.37874 hours remaining, 235.062500 MB of memory in use. ENERGY: 3758600 3998.9435 20391.0171 14430.5824 236.1613 -203107.1925 2431.9674 0.0000 0.0000 51790.6307 -109827.8902 297.6415 -161618.5209 -109464.3179 298.1277 -87.4233 -60.1097 759553.0018 25.5841 25.7560 PRESSURE: 3758800 -128.623 -318.584 112.248 -318.584 263.335 26.4041 112.248 26.4038 -58.0091 GPRESSURE: 3758800 -40.9716 -234.066 5.39823 -269.608 238.79 -34.5084 237.11 -67.4088 -27.816 PRESSAVG: 3758800 53.3935 -24.895 56.2942 -24.895 -78.71 -11.6358 56.2942 -11.6359 13.1565 GPRESSAVG: 3758800 53.5412 -26.7826 56.4654 -22.8785 -78.3136 -12.4269 57.2544 -10.6246 13.0134 TIMING: 3758800 CPU: 12155.1, 0.00400246/step Wall: 12155.1, 0.00400246/step, 1.37996 hours remaining, 235.062500 MB of memory in use. ENERGY: 3758800 3894.8952 20506.9688 14487.2457 239.8091 -203295.1240 2445.0459 0.0000 0.0000 52067.9302 -109653.2292 299.2351 -161721.1594 -109299.5084 298.3304 25.5676 56.6676 760336.9328 -4.0534 -3.9197 PRESSURE: 3759000 41.2486 27.6898 241.915 27.6903 -138.178 224.497 241.915 224.496 -17.7925 GPRESSURE: 3759000 43.7004 27.5728 231.582 116.526 -9.83309 237.414 246.684 17.1096 -57.8957 PRESSAVG: 3759000 -0.858521 -49.85 30.1746 -49.85 -16.4627 16.8182 30.1746 16.8182 -4.89347 GPRESSAVG: 3759000 0.332668 -46.9521 30.9897 -51.5732 -16.8757 15.6602 31.1695 17.7854 -5.63343 TIMING: 3759000 CPU: 12155.9, 0.00402531/step Wall: 12155.9, 0.00402531/step, 1.38761 hours remaining, 235.062500 MB of memory in use. ENERGY: 3759000 4048.6461 20389.8003 14419.6171 250.0982 -203025.5386 2317.7140 0.0000 0.0000 52124.5164 -109475.1463 299.5603 -161599.6627 -109112.0618 298.8952 -38.2407 -8.0095 759091.6429 -7.4049 -7.3921 PRESSURE: 3759200 23.1601 -132.747 346.822 -132.747 170.577 -147.404 346.823 -147.405 395.007 GPRESSURE: 3759200 72.8278 -156.863 397.083 -187.527 166.74 -119.499 193.5 -73.3052 440.487 PRESSAVG: 3759200 9.30855 -43.4199 94.2436 -43.4198 -28.8427 6.94286 94.2437 6.9428 14.3389 GPRESSAVG: 3759200 8.96002 -45.0071 92.0694 -42.7839 -28.3782 9.33829 93.046 4.64498 13.8019 TIMING: 3759200 CPU: 12156.7, 0.00401075/step Wall: 12156.7, 0.00401075/step, 1.38237 hours remaining, 235.062500 MB of memory in use. ENERGY: 3759200 3904.3820 20260.9427 14443.5738 236.5634 -203129.8134 2415.0043 0.0000 0.0000 52262.7493 -109606.5979 300.3547 -161869.3472 -109241.4471 298.6157 196.2479 226.6851 761559.0281 -1.7317 -1.8721 PRESSURE: 3759400 99.8769 -119.86 7.55208 -119.861 11.2395 46.4453 7.55233 46.4451 -150.155 GPRESSURE: 3759400 153.033 -122.361 22.1332 -44.4427 46.6615 61.6252 37.7804 -2.56816 -157.355 PRESSAVG: 3759400 5.74458 -52.3631 77.4865 -52.363 -32.4972 31.4198 77.4865 31.4197 -5.19353 GPRESSAVG: 3759400 4.80875 -53.2963 78.1981 -51.8583 -32.4835 28.7967 78.9 30.9087 -5.08019 TIMING: 3759400 CPU: 12157.5, 0.00400819/step Wall: 12157.5, 0.00400819/step, 1.38127 hours remaining, 235.062500 MB of memory in use. ENERGY: 3759400 3946.6596 20601.0271 14495.0275 239.8379 -203327.6484 2568.8401 0.0000 0.0000 52066.3108 -109409.9453 299.2258 -161476.2561 -109048.8908 299.3693 -13.0130 14.1131 761148.7684 -10.6487 -10.9183 PRESSURE: 3759600 36.1879 -63.4937 4.21225 -63.4931 -139.743 -69.9111 4.21311 -69.911 8.58673 GPRESSURE: 3759600 -4.81328 -70.2851 77.199 -146.402 -72.4948 -104.385 111.386 -113.743 57.4998 PRESSAVG: 3759600 -57.4203 -51.5651 66.3682 -51.5651 47.9443 12.906 66.3683 12.906 12.0556 GPRESSAVG: 3759600 -57.3092 -51.3654 68.3832 -52.5455 48.1005 15.0845 64.7972 15.6544 11.9952 TIMING: 3759600 CPU: 12158.3, 0.00400357/step Wall: 12158.3, 0.00400357/step, 1.37945 hours remaining, 235.062500 MB of memory in use. ENERGY: 3759600 4117.6650 20663.6097 14473.5472 248.8970 -203069.3760 2313.8675 0.0000 0.0000 51960.6945 -109291.0952 298.6188 -161251.7897 -108943.5499 299.2843 -31.6561 -6.6028 760727.9100 0.8599 0.9288 PRESSURE: 3759800 60.6888 103.714 -66.6092 103.714 -58.4577 138.555 -66.608 138.554 -13.3176 GPRESSURE: 3759800 100.198 12.5685 -70.7605 17.1452 -31.3484 169.621 -37.092 177.13 -13.0825 PRESSAVG: 3759800 -5.41036 -72.2917 50.5087 -72.2917 -0.496307 -11.0159 50.5088 -11.016 -18.0183 GPRESSAVG: 3759800 -4.89847 -75.4871 48.1066 -72.536 -1.27945 -9.9339 50.7247 -13.8094 -17.7595 TIMING: 3759800 CPU: 12159.1, 0.0039945/step Wall: 12159.1, 0.0039945/step, 1.37611 hours remaining, 235.132812 MB of memory in use. ENERGY: 3759800 3951.5275 20506.7689 14514.2714 229.4335 -203080.8708 2369.3606 0.0000 0.0000 52042.8868 -109466.6221 299.0912 -161509.5089 -109099.4395 299.0241 -3.6955 18.5892 761760.6652 -7.9750 -7.9791 PRESSURE: 3760000 -38.9491 -162.172 105.639 -162.172 44.7101 -90.0582 105.639 -90.0586 210.4 GPRESSURE: 3760000 -38.3792 -174.324 113.637 -130.826 71.2673 -49.1185 57.5217 -179.263 281.213 PRESSAVG: 3760000 39.3825 -55.6825 -4.84264 -55.6825 -32.3435 7.97664 -4.84258 7.97678 -3.60808 GPRESSAVG: 3760000 38.1133 -52.4467 -4.9075 -53.5654 -30.4747 5.33139 -5.55716 10.2263 -3.75267 TIMING: 3760000 CPU: 12159.9, 0.00400279/step Wall: 12159.9, 0.00400279/step, 1.37874 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3760000 3956.0897 20486.0120 14466.7968 234.5526 -203169.2862 2570.5124 0.0000 0.0000 52068.8592 -109386.4634 299.2404 -161455.3226 -109024.7367 298.7516 72.0536 104.7003 761334.3453 1.1436 1.2953 PRESSURE: 3760200 405.735 -59.1845 -70.9888 -59.1849 -457.455 137.707 -70.9898 137.709 -159.146 GPRESSURE: 3760200 425.224 104.715 -121.242 -98.2005 -393.382 222.565 -9.19978 86.4754 -155.542 PRESSAVG: 3760200 36.9202 19.1926 20.0173 19.1926 2.79094 45.6278 20.0174 45.6279 6.3035 GPRESSAVG: 3760200 39.0122 20.055 22.1086 17.208 1.01182 46.7367 21.3523 44.9312 5.83524 TIMING: 3760200 CPU: 12160.7, 0.00400161/step Wall: 12160.7, 0.00400161/step, 1.37811 hours remaining, 235.132812 MB of memory in use. ENERGY: 3760200 4066.2692 20396.3529 14501.7784 248.8193 -203029.7320 2317.8473 0.0000 0.0000 52163.2192 -109335.4457 299.7827 -161498.6649 -108967.5237 299.5016 -70.2885 -41.2333 761565.8661 15.3382 15.2864 LDB: ============= START OF LOAD BALANCING ============== 12173.2 LDB: ============== END OF LOAD BALANCING =============== 12173.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12173.2 LDB: ============= START OF LOAD BALANCING ============== 12173.6 LDB: Largest compute 7068 load 0.033510 is 17.3% of average load 0.193353 LDB: Average compute 0.004455 is 2.3% of average load 0.193353 LDB: TIME 12173.6 LOAD: AVG 0.193353 MAX 0.210352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235 MB LDB: TIME 12173.6 LOAD: AVG 0.193353 MAX 0.210352 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: TIME 12173.6 LOAD: AVG 0.193353 MAX 0.210352 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: ============== END OF LOAD BALANCING =============== 12173.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12173.6 PRESSURE: 3760400 -113.503 91.1078 -194.033 91.1076 348.777 -228.174 -194.033 -228.174 -448.03 GPRESSURE: 3760400 44.3586 90.0834 -83.8036 55.9716 271.746 -160.439 -164.581 -277.389 -420.471 PRESSAVG: 3760400 -2.04173 3.41313 -50.9277 3.41315 -58.183 13.3283 -50.9277 13.3283 -2.15311 GPRESSAVG: 3760400 -4.41933 3.16561 -50.2147 3.5798 -57.1205 12.9089 -51.8015 12.5256 -0.849472 TIMING: 3760400 CPU: 12161.5, 0.00407118/step Wall: 12161.5, 0.00407118/step, 1.40184 hours remaining, 233.625000 MB of memory in use. ENERGY: 3760400 4042.7531 20400.5360 14389.9155 242.4741 -203332.9353 2691.4285 0.0000 0.0000 51991.5589 -109574.2692 298.7962 -161565.8281 -109210.6194 298.9845 -70.9188 -34.7888 760901.7291 -20.7926 -20.7964 PRESSURE: 3760600 114.663 79.8912 269.929 79.8913 364.697 24.7544 269.931 24.7534 42.3305 GPRESSURE: 3760600 142.632 87.1131 320.529 46.6548 411.396 90.1301 189.47 -167.409 53.3579 PRESSAVG: 3760600 0.905608 -35.3853 -29.3498 -35.3854 21.4688 37.0113 -29.3498 37.0113 -10.5912 GPRESSAVG: 3760600 1.06696 -35.9425 -31.2249 -34.9782 20.7037 37.9962 -27.8826 36.489 -9.45971 TIMING: 3760600 CPU: 12162.3, 0.00399/step Wall: 12162.3, 0.00399/step, 1.37367 hours remaining, 233.828125 MB of memory in use. ENERGY: 3760600 3932.3234 20369.4381 14446.2127 251.8207 -203351.1336 2840.2816 0.0000 0.0000 51940.8959 -109570.1611 298.5050 -161511.0570 -109201.7082 298.3769 173.8967 202.4619 760669.9288 3.9277 4.1037 PRESSURE: 3760800 99.3469 -91.3419 36.9698 -91.342 -227.213 15.9367 36.9697 15.9368 -353.014 GPRESSURE: 3760800 159.108 -61.7509 67.1946 -134.512 -124.921 43.416 13.8704 11.8583 -432.925 PRESSAVG: 3760800 -2.19033 7.46789 3.14336 7.46788 22.4452 21.2725 3.14342 21.2725 -0.754608 GPRESSAVG: 3760800 -2.21125 5.46008 4.02112 9.016 23.181 20.6812 1.8314 22.5103 -2.01954 TIMING: 3760800 CPU: 12163.1, 0.00400292/step Wall: 12163.1, 0.00400292/step, 1.37789 hours remaining, 233.828125 MB of memory in use. ENERGY: 3760800 3949.0015 20406.8843 14490.3982 257.3377 -203094.2531 2329.6741 0.0000 0.0000 51990.5095 -109670.4478 298.7902 -161660.9573 -109310.4461 298.5616 -160.2934 -132.9125 762556.3260 6.5001 6.3167 PRESSURE: 3761000 -235.663 -142.409 -186.054 -142.41 123.804 -409.532 -186.053 -409.532 162.754 GPRESSURE: 3761000 -198.201 -67.095 -146.267 -81.4723 196.657 -398.293 -200.072 -396.131 153.724 PRESSAVG: 3761000 -27.9775 16.2541 -15.3435 16.2541 33.3712 23.6501 -15.3434 23.65 10.7345 GPRESSAVG: 3761000 -28.5011 18.0699 -15.766 15.032 33.7875 22.9975 -14.8682 22.179 10.7702 TIMING: 3761000 CPU: 12163.9, 0.00400535/step Wall: 12163.9, 0.00400535/step, 1.37851 hours remaining, 233.828125 MB of memory in use. ENERGY: 3761000 3966.4160 20319.8436 14528.3037 239.6492 -203655.7657 2706.8302 0.0000 0.0000 52123.3550 -109771.3680 299.5536 -161894.7230 -109405.8608 298.7006 16.9647 50.7265 759815.3603 5.3761 5.3522 PRESSURE: 3761200 56.6645 -26.7298 -124.507 -26.7301 -79.1559 -218.517 -124.506 -218.517 49.0716 GPRESSURE: 3761200 70.7719 -109.042 -137.678 -130.174 -109.079 -219.669 -120.592 -77.0949 183.175 PRESSAVG: 3761200 4.60059 -4.41786 -33.935 -4.41784 -1.04077 -31.0667 -33.935 -31.0668 -17.159 GPRESSAVG: 3761200 5.6916 -3.68944 -33.9385 -4.8123 -2.66517 -30.098 -34.8036 -30.8738 -16.4297 TIMING: 3761200 CPU: 12164.7, 0.00398929/step Wall: 12164.7, 0.00398929/step, 1.37276 hours remaining, 233.828125 MB of memory in use. ENERGY: 3761200 3979.7171 20414.8733 14461.5381 247.2321 -203523.3042 2793.0417 0.0000 0.0000 51990.0012 -109636.9007 298.7873 -161626.9020 -109277.8723 298.4092 8.8601 48.2894 762095.1215 -4.5331 -4.4678 PRESSURE: 3761400 92.4757 -244.797 -175.876 -244.797 -136.911 320.309 -175.876 320.309 -385.092 GPRESSURE: 3761400 -52.0462 -206.336 -138.511 -150.168 -16.3844 268.509 -221.46 261.556 -276.847 PRESSAVG: 3761400 26.2614 -56.219 -6.19136 -56.2189 -13.9729 0.252708 -6.19137 0.252731 -3.66236 GPRESSAVG: 3761400 25.1908 -56.2363 -5.95214 -56.3666 -13.2539 1.65244 -7.79419 2.49206 -3.14795 TIMING: 3761400 CPU: 12165.5, 0.00399707/step Wall: 12165.5, 0.00399707/step, 1.37521 hours remaining, 233.828125 MB of memory in use. ENERGY: 3761400 3910.7120 20638.6530 14452.5779 246.3703 -203244.9682 2457.9746 0.0000 0.0000 52150.7369 -109387.9434 299.7110 -161538.6802 -109034.8631 299.0663 -143.1757 -115.0927 761465.5469 2.8754 2.9296 PRESSURE: 3761600 -187.436 -147.131 -86.1911 -147.131 -138.114 238.126 -86.1905 238.126 92.9553 GPRESSURE: 3761600 -177.233 -142.218 -166.471 -144.032 -18.9971 207.693 30.7365 181.626 48.1851 PRESSAVG: 3761600 18.4074 -86.831 38.8574 -86.831 -32.2336 14.8038 38.8574 14.8037 4.31363 GPRESSAVG: 3761600 19.1366 -88.1423 38.786 -86.0444 -31.854 14.2603 40.9234 12.4731 2.9708 TIMING: 3761600 CPU: 12166.3, 0.00405191/step Wall: 12166.3, 0.00405191/step, 1.39386 hours remaining, 233.828125 MB of memory in use. ENERGY: 3761600 3995.5118 20521.0570 14509.9218 258.8149 -203107.9304 2462.0190 0.0000 0.0000 52165.2897 -109195.3163 299.7946 -161360.6060 -108828.0368 299.8185 -77.5316 -49.3482 762293.4868 -3.1709 -3.2489 PRESSURE: 3761800 159.549 -98.1948 433.437 -98.1944 122.129 -325.516 433.437 -325.516 340.371 GPRESSURE: 3761800 237.983 -127.676 376.272 -28.6637 96.6266 -290.745 437.701 -275.654 366.874 PRESSAVG: 3761800 -13.8189 -31.4231 -7.23824 -31.4231 7.88134 -5.79193 -7.23829 -5.79204 0.213371 GPRESSAVG: 3761800 -13.8649 -31.9514 -6.74315 -31.0935 7.19816 -6.27743 -6.33612 -5.04126 0.952656 TIMING: 3761800 CPU: 12167.1, 0.00405048/step Wall: 12167.1, 0.00405048/step, 1.39314 hours remaining, 233.828125 MB of memory in use. ENERGY: 3761800 4075.9728 20665.5791 14493.4758 242.4547 -203673.6950 2888.8331 0.0000 0.0000 52182.8387 -109124.5408 299.8955 -161307.3795 -108769.9132 299.5500 207.3500 233.8281 759060.1764 -1.9081 -1.9047 PRESSURE: 3762000 45.6012 35.664 -328.204 35.6644 163.728 -34.2662 -328.205 -34.266 185.945 GPRESSURE: 3762000 83.3963 97.6484 -297.582 -50.4267 191.191 -29.4286 -161.653 -6.95501 231.409 PRESSAVG: 3762000 -13.0234 -12.9094 2.5138 -12.9094 38.8259 -21.2442 2.51383 -21.2444 14.8885 GPRESSAVG: 3762000 -13.3947 -12.1619 2.79083 -13.9456 38.9958 -20.7877 3.75907 -20.9022 15.2355 TIMING: 3762000 CPU: 12167.9, 0.00401179/step Wall: 12167.9, 0.00401179/step, 1.37961 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3762000 3900.3266 20471.1747 14504.9215 221.5945 -202762.2669 2375.9611 0.0000 0.0000 52203.3402 -109084.9484 300.0133 -161288.2886 -108717.2540 299.7821 131.7580 168.6656 760621.8373 13.5637 13.6122 PRESSURE: 3762200 68.0446 22.7318 -63.4476 22.7309 498.33 347.922 -63.4481 347.922 190.01 GPRESSURE: 3762200 139.461 -54.81 -154.659 38.9078 418.426 368.485 7.57859 226.713 284.303 PRESSAVG: 3762200 -30.653 -12.2031 5.68281 -12.2031 45.4226 4.57196 5.68286 4.57206 -2.12334 GPRESSAVG: 3762200 -30.0856 -12.5583 4.06793 -10.997 45.535 2.59589 4.55628 4.13421 -2.82015 TIMING: 3762200 CPU: 12168.7, 0.00401687/step Wall: 12168.7, 0.00401687/step, 1.38113 hours remaining, 233.828125 MB of memory in use. ENERGY: 3762200 3985.2954 20586.8306 14470.7260 261.7354 -203582.1643 2665.2784 0.0000 0.0000 52292.5965 -109319.7020 300.5263 -161612.2985 -108960.9560 299.7099 252.1282 280.7299 758152.9899 4.2154 4.2097 PRESSURE: 3762400 -291.443 22.6493 -172.477 22.6487 51.3357 301.763 -172.477 301.762 -260.378 GPRESSURE: 3762400 -223.878 16.5395 -193.09 -16.0155 -1.19742 223.31 -27.3168 369.761 -191.385 PRESSAVG: 3762400 9.44011 -59.588 39.203 -59.588 32.822 24.5936 39.2029 24.5936 1.84939 GPRESSAVG: 3762400 8.38823 -56.9553 40.6866 -58.9597 33.597 25.0621 37.1869 26.2848 2.10054 TIMING: 3762400 CPU: 12169.5, 0.00402029/step Wall: 12169.5, 0.00402029/step, 1.38209 hours remaining, 233.828125 MB of memory in use. ENERGY: 3762400 4003.5360 20691.6137 14512.5222 249.0477 -202991.9391 2330.3328 0.0000 0.0000 52125.6065 -109079.2802 299.5666 -161204.8867 -108720.6584 299.5908 -166.8286 -138.8201 760792.1185 14.7038 14.6953 PRESSURE: 3762600 -36.7207 124.974 23.8193 124.975 -23.4505 -49.0596 23.8201 -49.0598 -251.958 GPRESSURE: 3762600 -35.5923 126.456 70.7755 137.963 50.8406 -44.5076 98.9038 6.65862 -234.338 PRESSAVG: 3762600 45.2544 -32.7757 45.481 -32.7757 5.50114 31.6421 45.481 31.6422 8.38662 GPRESSAVG: 3762600 46.7216 -34.0025 45.1478 -34.9535 4.12788 30.9179 47.3558 30.8214 8.44616 TIMING: 3762600 CPU: 12170.3, 0.00403139/step Wall: 12170.3, 0.00403139/step, 1.38568 hours remaining, 233.828125 MB of memory in use. ENERGY: 3762600 3962.8396 20672.2950 14443.0571 240.8162 -202963.2606 2261.0582 0.0000 0.0000 52134.1340 -109249.0604 299.6156 -161383.1944 -108886.0255 299.3032 -104.0432 -73.0300 759780.0878 19.7141 19.7652 PRESSURE: 3762800 -439.261 -57.3105 -183.349 -57.31 -144.517 -118.536 -183.35 -118.536 229.295 GPRESSURE: 3762800 -307.25 -80.0368 -189.341 -155.582 -205.253 -109.991 -168.718 -123.304 234.094 PRESSAVG: 3762800 29.9484 -44.3506 -22.6701 -44.3506 11.7582 1.32263 -22.6701 1.32264 -5.85534 GPRESSAVG: 3762800 28.6712 -45.4421 -22.1929 -41.8315 12.3637 2.33388 -22.0192 1.21944 -5.72486 TIMING: 3762800 CPU: 12171.1, 0.00398541/step Wall: 12171.1, 0.00398541/step, 1.36965 hours remaining, 233.828125 MB of memory in use. ENERGY: 3762800 3997.4172 20504.4489 14486.9760 266.7220 -202884.3932 2328.3664 0.0000 0.0000 52098.1523 -109202.3105 299.4088 -161300.4628 -108842.6665 299.7206 -118.1609 -92.8028 758566.1977 11.9504 11.7700 PRESSURE: 3763000 -222.67 96.57 93.4416 96.5698 120.223 -70.4544 93.442 -70.4543 12.9777 GPRESSURE: 3763000 -218.973 28.7601 93.022 88.8137 148.384 -41.7948 262.96 -164.113 57.5292 PRESSAVG: 3763000 -82.0952 -22.6474 27.6171 -22.6474 45.1738 -18.8634 27.6171 -18.8633 -20.7877 GPRESSAVG: 3763000 -81.1702 -21.9668 28.2462 -23.5644 44.8294 -18.2061 25.535 -18.7787 -21.2637 TIMING: 3763000 CPU: 12171.9, 0.00400082/step Wall: 12171.9, 0.00400082/step, 1.37473 hours remaining, 233.828125 MB of memory in use. ENERGY: 3763000 4017.5627 20405.4638 14518.2365 247.1938 -203067.7976 2212.1162 0.0000 0.0000 52319.7140 -109347.5107 300.6821 -161667.2247 -108969.7256 299.5281 -29.8230 -4.3534 759207.2996 -19.2363 -19.2015 PRESSURE: 3763200 251.679 -41.3514 102.687 -41.3518 -14.6642 -33.649 102.686 -33.6488 -58.2375 GPRESSURE: 3763200 262.408 -19.1416 81.2987 11.6256 28.0944 40.4273 27.1547 -21.7398 -32.6787 PRESSAVG: 3763200 2.9904 -21.0441 -0.91329 -21.044 -13.9415 -17.3017 -0.913306 -17.3017 6.9065 GPRESSAVG: 3763200 2.82485 -19.4679 -4.40368 -21.2453 -13.7625 -17.6538 1.66459 -17.3238 7.53396 TIMING: 3763200 CPU: 12172.7, 0.00402083/step Wall: 12172.7, 0.00402083/step, 1.38138 hours remaining, 233.828125 MB of memory in use. ENERGY: 3763200 3934.7796 20646.6186 14490.3650 233.9649 -203183.5021 2470.1455 0.0000 0.0000 52080.0881 -109327.5403 299.3050 -161407.6285 -108963.8959 299.4851 59.5923 85.9414 759480.3656 -1.3482 -1.1346 PRESSURE: 3763400 177.488 13.3036 -85.8548 13.3034 -360.082 14.2201 -85.8556 14.22 -154.007 GPRESSURE: 3763400 106.865 -24.0841 -120.683 -12.2787 -162.05 41.5492 -44.2225 -22.3572 -200.57 PRESSAVG: 3763400 23.1952 -4.10247 30.5195 -4.10242 5.46584 -31.2619 30.5194 -31.2619 0.888817 GPRESSAVG: 3763400 23.2846 -5.686 31.3057 -1.76045 5.29663 -31.8613 28.0637 -31.1475 1.16623 TIMING: 3763400 CPU: 12173.5, 0.00403627/step Wall: 12173.5, 0.00403627/step, 1.38646 hours remaining, 233.828125 MB of memory in use. ENERGY: 3763400 3944.6015 20546.7086 14482.3151 238.8131 -203191.3828 2430.3406 0.0000 0.0000 52333.4998 -109215.1042 300.7613 -161548.6039 -108851.9002 299.7623 -112.2003 -85.2517 760374.6345 9.8500 9.9158 PRESSURE: 3763600 -89.0256 -11.624 -139.353 -11.6253 -552.819 -47.8275 -139.353 -47.8283 -270.26 GPRESSURE: 3763600 -156.198 -74.0564 -143.718 32.2805 -487.541 -78.3416 -198.978 -69.8989 -180.463 PRESSAVG: 3763600 39.7527 -58.3188 5.19603 -58.3189 -56.8065 8.47615 5.19604 8.47621 0.380094 GPRESSAVG: 3763600 39.0518 -58.6552 4.70207 -59.3566 -55.7081 8.6656 6.36738 7.09153 0.227727 TIMING: 3763600 CPU: 12174.3, 0.00400755/step Wall: 12174.3, 0.00400755/step, 1.37637 hours remaining, 233.828125 MB of memory in use. ENERGY: 3763600 4070.1553 20504.6744 14493.0161 230.7922 -202789.4366 2226.5192 0.0000 0.0000 52032.9573 -109231.3222 299.0341 -161264.2794 -108873.5403 299.4438 -304.0351 -274.7341 762559.5651 -5.5579 -5.4762 PRESSURE: 3763800 104.276 97.0858 -110.848 97.0852 -175.937 172.689 -110.848 172.69 -443.572 GPRESSURE: 3763800 121.693 -15.4859 -125.729 66.0701 -204.393 96.6858 -121.389 228.007 -343.354 PRESSAVG: 3763800 20.799 -37.4003 38.8521 -37.4003 -53.5956 8.26945 38.852 8.26943 23.8486 GPRESSAVG: 3763800 21.7337 -37.6322 39.8976 -36.6428 -53.6543 8.31239 37.5734 8.85903 22.9215 TIMING: 3763800 CPU: 12175.1, 0.00403608/step Wall: 12175.1, 0.00403608/step, 1.38595 hours remaining, 233.828125 MB of memory in use. ENERGY: 3763800 4007.8523 20568.6033 14481.4707 257.3187 -202850.2833 2298.1627 0.0000 0.0000 51898.5417 -109338.3339 298.2616 -161236.8756 -108970.4018 299.3770 -171.7441 -142.0179 760303.4727 -2.9827 -2.9997 PRESSURE: 3764000 261.321 -208.152 156.924 -208.153 295.213 175.941 156.923 175.941 445.479 GPRESSURE: 3764000 273.862 -150.7 134.585 -211.791 285.645 105.472 256.619 198.253 524.849 PRESSAVG: 3764000 -19.8086 9.87119 64.0163 9.87115 9.54452 38.8263 64.0163 38.8262 -13.6841 GPRESSAVG: 3764000 -19.334 12.5169 64.6817 8.04116 8.64905 38.7705 64.306 38.0277 -12.8786 TIMING: 3764000 CPU: 12176, 0.00403734/step Wall: 12176, 0.00403734/step, 1.38615 hours remaining, 233.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3764000 3876.1585 20393.7447 14559.3629 244.2684 -203119.9765 2520.4232 0.0000 0.0000 52217.4004 -109308.6185 300.0941 -161526.0189 -108939.8317 299.3410 334.0042 361.4522 761006.8990 -7.9827 -7.8545 PRESSURE: 3764200 212.318 -144.268 -4.0202 -144.268 110.096 -55.2875 -4.0206 -55.2873 -349.886 GPRESSURE: 3764200 169.649 -121.601 -18.4215 -8.3509 109.405 -64.4948 55.8611 -93.1301 -213.529 PRESSAVG: 3764200 36.4506 -41.9549 41.289 -41.9549 -31.3878 4.7055 41.2889 4.70555 18.1967 GPRESSAVG: 3764200 36.3195 -43.4744 41.1924 -41.799 -31.3978 3.72526 42.6327 4.47024 18.2367 TIMING: 3764200 CPU: 12176.8, 0.00402809/step Wall: 12176.8, 0.00402809/step, 1.38275 hours remaining, 233.828125 MB of memory in use. ENERGY: 3764200 3923.5996 20599.0489 14491.4404 243.8649 -202869.4559 2450.5164 0.0000 0.0000 51887.4976 -109273.4881 298.1982 -161160.9856 -108914.5480 299.2471 -9.1574 21.8416 760824.0666 7.7532 7.7195 LDB: ============= START OF LOAD BALANCING ============== 12189.3 LDB: ============== END OF LOAD BALANCING =============== 12189.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12189.3 LDB: ============= START OF LOAD BALANCING ============== 12189.7 LDB: Largest compute 7068 load 0.034370 is 17.8% of average load 0.193318 LDB: Average compute 0.004455 is 2.3% of average load 0.193318 LDB: TIME 12189.7 LOAD: AVG 0.193318 MAX 0.210526 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 12189.7 LOAD: AVG 0.193318 MAX 0.210526 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 12189.7 LOAD: AVG 0.193318 MAX 0.210526 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 12189.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12189.7 PRESSURE: 3764400 -3.0374 200.995 118.393 200.995 -168.182 -42.2843 118.393 -42.2851 13.8843 GPRESSURE: 3764400 83.9758 184.374 102.125 179.631 -208.462 71.2627 82.0414 8.76976 55.1755 PRESSAVG: 3764400 54.4561 -51.0325 63.3427 -51.0325 -15.5652 -4.98546 63.3427 -4.98556 5.19853 GPRESSAVG: 3764400 54.6586 -51.3431 63.2514 -49.9803 -16.153 -4.93267 61.8685 -3.034 5.8534 TIMING: 3764400 CPU: 12177.6, 0.00408244/step Wall: 12177.6, 0.00408244/step, 1.40118 hours remaining, 232.660156 MB of memory in use. ENERGY: 3764400 3951.5039 20523.6038 14482.0536 238.6507 -203307.8888 2608.4034 0.0000 0.0000 52155.1806 -109348.4928 299.7365 -161503.6734 -108978.6082 298.6105 -52.4452 -23.1035 761722.1633 14.6965 14.7863 PRESSURE: 3764600 126.706 -130.198 -56.137 -130.198 417.955 -110.356 -56.1371 -110.356 99.8499 GPRESSURE: 3764600 216.258 2.05674 -78.6167 -166.529 351.529 -84.7737 -43.5006 -149.486 162.606 PRESSAVG: 3764600 -57.1037 15.5573 8.27527 15.5574 38.1823 -5.63327 8.27523 -5.63322 12.6482 GPRESSAVG: 3764600 -54.8881 16.3405 8.55648 15.1546 38.671 -5.74614 6.87948 -5.94611 10.2612 TIMING: 3764600 CPU: 12178.4, 0.00401151/step Wall: 12178.4, 0.00401151/step, 1.37661 hours remaining, 232.660156 MB of memory in use. ENERGY: 3764600 3922.6439 20549.9057 14475.7636 250.2140 -203027.8933 2504.5866 0.0000 0.0000 52383.4927 -108941.2868 301.0487 -161324.7795 -108579.6449 299.5494 214.8369 243.4642 760407.3050 -2.0911 -1.9853 PRESSURE: 3764800 -234.575 -81.9007 180.156 -81.9011 -333.385 -148.399 180.156 -148.399 -271.983 GPRESSURE: 3764800 -265.951 -153.217 179.958 -72.2431 -191.415 -99.4533 69.3251 -220.081 -290.541 PRESSAVG: 3764800 47.3298 -56.8456 -39.0479 -56.8456 -42.3021 -4.66091 -39.0479 -4.66092 -3.07302 GPRESSAVG: 3764800 45.7713 -59.3703 -39.3791 -56.2567 -41.9268 -4.42283 -37.5756 -5.06713 -2.27655 TIMING: 3764800 CPU: 12179.2, 0.00400579/step Wall: 12179.2, 0.00400579/step, 1.37443 hours remaining, 232.863281 MB of memory in use. ENERGY: 3764800 4058.6209 20493.7335 14511.3431 246.3142 -202796.8242 2088.2016 0.0000 0.0000 52297.2971 -109101.3139 300.5533 -161398.6110 -108738.8630 300.1092 -279.9806 -249.3023 759797.8677 0.6516 0.5226 PRESSURE: 3765000 239.079 -7.52791 -72.375 -7.52858 52.1488 148.519 -72.3746 148.519 -95.8768 GPRESSURE: 3765000 256.73 -11.1817 -12.5115 38.3775 116.259 189.542 77.6394 119.534 -89.7548 PRESSAVG: 3765000 -13.1723 -8.49967 -7.30782 -8.49972 11.7409 0.660278 -7.3078 0.660324 -11.8805 GPRESSAVG: 3765000 -13.3487 -6.63213 -9.17648 -9.32984 10.0089 1.98958 -6.26215 1.26485 -9.88749 TIMING: 3765000 CPU: 12180, 0.00401785/step Wall: 12180, 0.00401785/step, 1.37835 hours remaining, 232.863281 MB of memory in use. ENERGY: 3765000 4077.7801 20560.2005 14465.6127 254.7861 -202723.0318 2177.1253 0.0000 0.0000 52084.2934 -109103.2336 299.3292 -161187.5270 -108734.4855 300.0040 65.1171 94.4115 760551.8615 -4.4373 -4.4091 PRESSURE: 3765200 -21.9219 110.316 -307.202 110.316 -75.4897 -36.6151 -307.202 -36.6141 -4.87465 GPRESSURE: 3765200 -17.9916 50.2647 -249.065 1.16653 -73.2803 -32.926 -187.978 -179.307 85.1459 PRESSAVG: 3765200 -1.38978 25.0619 16.5912 25.0619 21.3406 18.5835 16.5913 18.5834 -4.88244 GPRESSAVG: 3765200 -0.963374 25.7515 19.3915 24.2791 21.9154 18.5382 17.2194 16.5293 -6.02954 TIMING: 3765200 CPU: 12180.8, 0.00401021/step Wall: 12180.8, 0.00401021/step, 1.3755 hours remaining, 232.863281 MB of memory in use. ENERGY: 3765200 3964.8084 20583.1805 14367.4181 222.6105 -202884.5608 2277.8749 0.0000 0.0000 52041.7377 -109426.9307 299.0846 -161468.6684 -109066.1630 299.6280 -34.0954 -2.0420 760545.0459 5.0228 4.9742 PRESSURE: 3765400 -176.99 26.5423 23.5553 26.5433 73.7625 -167.097 23.5555 -167.096 -70.5865 GPRESSURE: 3765400 -158.763 121.683 45.0814 -85.3973 81.5254 -347.991 -28.8929 -77.4657 -19.4348 PRESSAVG: 3765400 -11.0571 -4.1481 -52.9707 -4.14803 22.9553 -7.21315 -52.9708 -7.21313 21.1922 GPRESSAVG: 3765400 -12.5473 -5.7565 -54.3559 -3.25739 24.5037 -8.02095 -55.3857 -7.09836 21.6613 TIMING: 3765400 CPU: 12181.6, 0.00402411/step Wall: 12181.6, 0.00402411/step, 1.38004 hours remaining, 232.863281 MB of memory in use. ENERGY: 3765400 4065.4542 20569.4027 14386.7731 241.8077 -203252.4294 2551.1499 0.0000 0.0000 52124.4256 -109313.4164 299.5598 -161437.8420 -108956.4025 299.4580 -57.9381 -32.2241 761589.8502 11.0301 11.2059 PRESSURE: 3765600 277.862 158.492 -60.6245 158.492 418.115 146.289 -60.6252 146.289 452.934 GPRESSURE: 3765600 332.268 148.769 -19.0721 122.815 467.761 148.432 -20.9654 149.925 431.249 PRESSAVG: 3765600 -40.2612 -1.48256 -6.51732 -1.48251 82.1146 -4.29696 -6.51734 -4.29692 -2.11199 GPRESSAVG: 3765600 -40.6559 -0.893204 -6.55637 -3.14689 82.9781 -4.13626 -3.80345 -1.25248 -2.08846 TIMING: 3765600 CPU: 12182.4, 0.00400624/step Wall: 12182.4, 0.00400624/step, 1.3737 hours remaining, 232.863281 MB of memory in use. ENERGY: 3765600 4001.7100 20543.9769 14423.6849 258.4911 -203460.5052 2646.3831 0.0000 0.0000 52160.0526 -109426.2068 299.7645 -161586.2593 -109063.7805 299.8384 382.9702 410.4260 760410.3266 13.2471 13.4113 PRESSURE: 3765800 -22.5599 -69.9354 290.895 -69.9345 -363.319 8.48582 290.895 8.48386 -300.219 GPRESSURE: 3765800 44.4815 -50.2611 276.936 1.53003 -308.474 -41.6003 262.249 76.8 -340.396 PRESSAVG: 3765800 27.9026 -0.503663 59.6265 -0.5037 0.844263 -31.3503 59.6265 -31.3503 -15.2243 GPRESSAVG: 3765800 28.9972 0.835415 58.554 -0.0995851 0.169011 -32.3226 58.0367 -31.9616 -15.3688 TIMING: 3765800 CPU: 12183.2, 0.0040147/step Wall: 12183.2, 0.0040147/step, 1.37637 hours remaining, 232.863281 MB of memory in use. ENERGY: 3765800 4146.6431 20515.5659 14464.0692 239.5671 -203252.8623 2468.6708 0.0000 0.0000 52035.0669 -109383.2793 299.0462 -161418.3462 -109015.5975 299.3855 -228.6994 -201.4628 760820.7913 4.5075 4.5991 PRESSURE: 3766000 209.221 8.63339 -107.019 8.63245 -482.032 31.2781 -107.019 31.2776 -90.3757 GPRESSURE: 3766000 113.208 -78.4055 -203.258 -56.5066 -368.18 113.961 -149.828 -45.1532 -31.8368 PRESSAVG: 3766000 -10.0519 5.3211 6.92615 5.32109 1.90682 -31.9739 6.9262 -31.9738 17.8168 GPRESSAVG: 3766000 -10.3364 5.29486 8.76095 5.41177 2.8201 -30.0747 6.59262 -32.3518 17.4699 TIMING: 3766000 CPU: 12184, 0.00401408/step Wall: 12184, 0.00401408/step, 1.37594 hours remaining, 232.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3766000 3970.2028 20625.7489 14490.3734 252.0414 -203056.6433 2273.7557 0.0000 0.0000 52112.5839 -109331.9372 299.4917 -161444.5211 -108978.4157 299.5766 -121.0620 -95.6031 760588.9745 3.2239 3.3179 PRESSURE: 3766200 -47.8389 -65.9014 62.1052 -65.9013 -109.409 -244.258 62.1049 -244.258 330.415 GPRESSURE: 3766200 8.31063 -86.7266 73.9205 -182.117 -2.08912 -169.826 -67.8441 -297.1 256.736 PRESSAVG: 3766200 48.9627 -4.23623 61.9994 -4.23633 -72.1766 31.3529 61.9994 31.3529 -2.79906 GPRESSAVG: 3766200 49.5935 -4.15173 61.5277 -4.83135 -73.3858 30.4024 63.4302 29.4611 -2.40019 TIMING: 3766200 CPU: 12184.8, 0.0040055/step Wall: 12184.8, 0.0040055/step, 1.37278 hours remaining, 232.863281 MB of memory in use. ENERGY: 3766200 4023.7851 20405.6100 14439.3539 239.3992 -203233.2854 2581.4097 0.0000 0.0000 52059.3414 -109484.3860 299.1858 -161543.7275 -109113.8566 299.1708 57.7223 87.6526 760505.0511 -8.6710 -8.7308 PRESSURE: 3766400 361.581 -2.16632 96.3005 -2.16629 64.2122 169.308 96.3003 169.308 -30.538 GPRESSURE: 3766400 383.752 143.516 102.511 -7.68432 86.4679 87.4613 61.4892 245.42 20.8088 PRESSAVG: 3766400 -28.5086 -2.01755 55.4659 -2.01752 23.5876 6.67692 55.4658 6.677 22.7682 GPRESSAVG: 3766400 -28.6276 -0.389107 55.0478 -2.15307 23.361 7.40533 54.3303 8.248 23.1869 TIMING: 3766400 CPU: 12185.6, 0.00401159/step Wall: 12185.6, 0.00401159/step, 1.37464 hours remaining, 232.863281 MB of memory in use. ENERGY: 3766400 3994.5922 20635.4139 14396.3535 229.8628 -203414.3412 2595.8918 0.0000 0.0000 52165.2787 -109396.9484 299.7946 -161562.2271 -109034.4595 299.4694 131.7517 163.6761 759862.0314 5.9491 5.9734 PRESSURE: 3766600 83.9352 51.9285 -259.755 51.9281 -225.689 -457.248 -259.756 -457.249 -2.793 GPRESSURE: 3766600 39.5889 -68.0171 -250.194 13.0906 -125.456 -427.992 -80.5182 -130.88 24.5241 PRESSAVG: 3766600 6.36414 -36.3138 -7.93865 -36.3138 -35.5599 -14.8193 -7.93866 -14.8193 -18.6293 GPRESSAVG: 3766600 5.02638 -39.9331 -8.51381 -33.1846 -34.3334 -14.4409 -6.87221 -13.8034 -18.4264 TIMING: 3766600 CPU: 12186.4, 0.00402474/step Wall: 12186.4, 0.00402474/step, 1.37892 hours remaining, 232.863281 MB of memory in use. ENERGY: 3766600 3998.1584 20350.6180 14423.3163 255.6128 -203156.8001 2374.0519 0.0000 0.0000 52159.0918 -109595.9508 299.7590 -161755.0426 -109224.8903 299.5027 -48.1824 -20.4476 759995.2431 -15.9417 -15.9112 PRESSURE: 3766800 -141.08 162.149 235.576 162.15 -543.629 22.4823 235.577 22.4816 208.164 GPRESSURE: 3766800 -39.9123 70.8807 154.9 95.2832 -492.915 39.6307 188.893 -74.7156 160.029 PRESSAVG: 3766800 17.746 19.1602 -3.68582 19.1603 -26.9618 31.0953 -3.68585 31.0953 9.39472 GPRESSAVG: 3766800 18.9318 21.0983 -2.54282 14.6195 -28.5974 30.481 -4.20126 30.0977 9.09579 TIMING: 3766800 CPU: 12187.2, 0.00400715/step Wall: 12187.2, 0.00400715/step, 1.37267 hours remaining, 232.863281 MB of memory in use. ENERGY: 3766800 3996.6836 20451.4903 14442.8985 253.2188 -203152.6292 2360.4181 0.0000 0.0000 52160.3848 -109487.5352 299.7664 -161647.9200 -109130.2298 299.2525 -158.8482 -124.2664 760974.4129 0.0596 -0.1900 PRESSURE: 3767000 -21.1973 16.8951 209.235 16.8946 -299.648 -339.302 209.235 -339.302 -217.919 GPRESSURE: 3767000 -11.7344 153.369 274.837 -89.8404 -166.817 -331.131 112.207 -410.359 -279.477 PRESSAVG: 3767000 68.2453 -15.0386 6.14122 -15.0387 -45.7008 5.45604 6.14114 5.45609 22.854 GPRESSAVG: 3767000 67.9537 -14.333 4.90165 -12.1183 -45.562 5.47299 4.05457 4.52433 22.7488 TIMING: 3767000 CPU: 12188, 0.00399769/step Wall: 12188, 0.00399769/step, 1.36921 hours remaining, 232.863281 MB of memory in use. ENERGY: 3767000 4028.6569 20412.0020 14511.3983 231.8111 -202884.5881 2397.1795 0.0000 0.0000 51805.1063 -109498.4341 297.7247 -161303.5403 -109136.4660 299.2150 -179.5881 -152.6761 760385.9469 15.1328 15.0468 PRESSURE: 3767200 -115.993 -34.6332 15.4345 -34.6335 -69.5197 168.019 15.4351 168.019 1.28967 GPRESSURE: 3767200 -98.5612 -98.7766 -34.3703 -164.073 -99.0275 198.92 7.63813 117.48 90.0281 PRESSAVG: 3767200 15.9741 -59.8888 -22.0829 -59.8888 19.0634 5.2239 -22.0829 5.22392 -17.6023 GPRESSAVG: 3767200 15.9739 -60.0311 -21.5223 -62.2706 20.4646 7.07258 -18.0118 6.23145 -18.4507 TIMING: 3767200 CPU: 12188.8, 0.0040309/step Wall: 12188.8, 0.0040309/step, 1.38036 hours remaining, 232.863281 MB of memory in use. ENERGY: 3767200 3924.4896 20461.0943 14468.7407 250.3486 -203261.0368 2528.9220 0.0000 0.0000 52185.6169 -109441.8247 299.9115 -161627.4416 -109072.7136 299.2230 -61.4075 -35.8535 760326.8953 5.8117 5.9959 PRESSURE: 3767400 -185.622 383.168 143.294 383.168 134.96 19.7488 143.294 19.7475 270.646 GPRESSURE: 3767400 -114.801 453.404 86.7793 251.781 80.1736 19.6 180.88 -19.154 346.452 PRESSAVG: 3767400 26.5424 -53.2042 28.0822 -53.2042 1.88324 -5.19575 28.0822 -5.19581 -1.7016 GPRESSAVG: 3767400 26.3834 -54.3083 29.3653 -49.8473 0.598951 -6.63373 25.3947 -5.44194 -0.469468 TIMING: 3767400 CPU: 12189.6, 0.00402451/step Wall: 12189.6, 0.00402451/step, 1.37795 hours remaining, 232.863281 MB of memory in use. ENERGY: 3767400 3988.6629 20419.4700 14367.7736 252.1533 -202871.0332 2396.1829 0.0000 0.0000 51995.8938 -109450.8967 298.8211 -161446.7905 -109094.8102 299.4263 73.3280 103.9417 760380.2312 8.9080 8.8376 PRESSURE: 3767600 446.732 16.6626 101.372 16.6626 -151.399 -289.678 101.372 -289.678 -251.706 GPRESSURE: 3767600 390.023 -63.194 69.3938 -10.0756 -63.7258 -258.838 73.2852 -226.024 -198.045 PRESSAVG: 3767600 7.59376 -46.9492 56.4598 -46.9492 -33.8997 -44.9306 56.4598 -44.9307 -5.90093 GPRESSAVG: 3767600 8.25788 -45.1654 56.5655 -48.8653 -34.2482 -44.9267 56.3926 -45.3397 -6.69417 TIMING: 3767600 CPU: 12190.4, 0.00401341/step Wall: 12190.4, 0.00401341/step, 1.37392 hours remaining, 232.863281 MB of memory in use. ENERGY: 3767600 3937.8396 20520.2731 14440.4164 243.5647 -203684.7664 2840.1753 0.0000 0.0000 52271.8442 -109430.6531 300.4070 -161702.4973 -109074.4889 299.7098 14.5424 42.7507 759314.2298 -10.7356 -10.8948 PRESSURE: 3767800 -5.8378 -96.9018 -170.54 -96.9015 10.472 226.335 -170.54 226.335 226.808 GPRESSURE: 3767800 -41.5577 -53.45 -229.525 -152.851 43.3139 192.994 2.12886 124.853 326.893 PRESSAVG: 3767800 13.946 -47.316 -18.878 -47.316 -37.7071 -4.03306 -18.8781 -4.03302 13.885 GPRESSAVG: 3767800 13.3499 -46.5762 -18.7377 -46.9331 -36.9572 -3.64722 -16.3236 -2.45612 13.5139 TIMING: 3767800 CPU: 12191.2, 0.00401314/step Wall: 12191.2, 0.00401314/step, 1.37361 hours remaining, 233.003906 MB of memory in use. ENERGY: 3767800 4013.7973 20622.1905 14448.4832 225.6420 -203763.5458 2780.1243 0.0000 0.0000 52331.8713 -109341.4371 300.7520 -161673.3085 -108984.6983 299.9586 77.1474 109.5498 761009.2516 -3.2920 -3.3645 PRESSURE: 3768000 -90.8645 21.85 352.216 21.8499 -65.9744 30.8211 352.215 30.8217 -36.5814 GPRESSURE: 3768000 -85.1674 -78.5799 346.112 10.1907 -23.2752 51.4577 182.581 0.139761 -13.7271 PRESSAVG: 3768000 17.9914 -67.6338 37.0002 -67.6339 -43.3562 -40.6069 37.0002 -40.607 -6.69339 GPRESSAVG: 3768000 17.8792 -67.7563 36.7623 -68.4849 -43.5602 -40.1773 36.6004 -40.9776 -6.35132 TIMING: 3768000 CPU: 12192, 0.00400438/step Wall: 12192, 0.00400438/step, 1.37039 hours remaining, 233.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3768000 4020.3412 20408.0618 14410.5939 239.1770 -203211.7037 2551.8968 0.0000 0.0000 52186.1295 -109395.5033 299.9144 -161581.6328 -109025.4752 299.5221 -64.4735 -40.7233 760793.3183 -10.6861 -10.6774 PRESSURE: 3768200 50.5557 225.315 13.8716 225.314 162.003 -78.7771 13.8708 -78.7769 639.57 GPRESSURE: 3768200 112.984 230.925 -10.7628 149.59 271.551 -66.2151 -100.914 -87.0637 531.24 PRESSAVG: 3768200 11.9429 13.1352 48.0599 13.1352 17.8984 35.5167 48.0598 35.5167 17.3249 GPRESSAVG: 3768200 12.3614 12.4133 47.0615 15.4049 19.0054 34.4248 45.1939 35.8464 16.1267 TIMING: 3768200 CPU: 12192.8, 0.00401366/step Wall: 12192.8, 0.00401366/step, 1.37334 hours remaining, 233.003906 MB of memory in use. ENERGY: 3768200 3921.4373 20556.0441 14498.9020 251.6581 -203181.4852 2304.4523 0.0000 0.0000 52147.1677 -109501.8237 299.6905 -161648.9913 -109136.4574 299.5003 284.0428 305.2580 760728.1421 15.7221 15.8312 LDB: ============= START OF LOAD BALANCING ============== 12205.3 LDB: ============== END OF LOAD BALANCING =============== 12205.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12205.3 LDB: ============= START OF LOAD BALANCING ============== 12205.7 LDB: Largest compute 7068 load 0.032994 is 17.1% of average load 0.193431 LDB: Average compute 0.004427 is 2.3% of average load 0.193431 LDB: TIME 12205.7 LOAD: AVG 0.193431 MAX 0.212649 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.855 MB LDB: TIME 12205.7 LOAD: AVG 0.193431 MAX 0.212649 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: TIME 12205.7 LOAD: AVG 0.193431 MAX 0.212649 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: ============== END OF LOAD BALANCING =============== 12205.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12205.7 PRESSURE: 3768400 -125.776 -118.252 90.3857 -118.252 3.53789 30.2948 90.3849 30.2935 -90.1705 GPRESSURE: 3768400 -113.4 -139.816 -11.351 -228.194 103.345 -20.5905 197.58 97.3831 -91.3815 PRESSAVG: 3768400 -9.03154 8.92268 -20.0603 8.92253 10.5598 18.6254 -20.0603 18.6253 -3.44175 GPRESSAVG: 3768400 -9.96578 8.12296 -19.6165 7.06792 11.3742 22.3995 -18.9955 16.3131 -2.56698 TIMING: 3768400 CPU: 12193.6, 0.00407711/step Wall: 12193.6, 0.00407711/step, 1.39483 hours remaining, 233.558594 MB of memory in use. ENERGY: 3768400 4022.4936 20432.9469 14491.0626 248.7979 -203253.2492 2284.3719 0.0000 0.0000 52393.9750 -109379.6012 301.1089 -161773.5762 -109008.4300 299.7358 -70.8029 -33.8123 761546.9402 -0.6378 -0.3862 PRESSURE: 3768600 224.05 91.9768 59.4045 91.9774 153.611 -206.978 59.4039 -206.979 197.189 GPRESSURE: 3768600 250.9 -52.3351 110.994 83.5666 90.4682 -254.318 17.9904 -103.747 317.788 PRESSAVG: 3768600 50.2515 -13.6184 20.7252 -13.6183 -42.0575 31.9284 20.7252 31.9283 4.83807 GPRESSAVG: 3768600 49.772 -14.6323 22.5886 -14.5764 -43.194 29.4798 21.9256 33.4395 6.57467 TIMING: 3768600 CPU: 12194.4, 0.0040152/step Wall: 12194.4, 0.0040152/step, 1.37342 hours remaining, 233.558594 MB of memory in use. ENERGY: 3768600 3977.2314 20650.7267 14472.5528 262.5008 -203218.2506 2660.3040 0.0000 0.0000 51829.4618 -109365.4730 297.8646 -161194.9348 -108996.3208 299.7075 191.6166 219.7187 762057.5754 4.3440 4.3842 PRESSURE: 3768800 -193.285 54.59 8.60298 54.5893 -306.194 -18.1927 8.60366 -18.1927 382.707 GPRESSURE: 3768800 -144.652 176.403 37.156 -35.812 -247.408 109.486 -100.397 -202.462 353.384 PRESSAVG: 3768800 -24.9938 -71.431 25.7374 -71.431 -12.5599 -31.9686 25.7374 -31.9686 8.2592 GPRESSAVG: 3768800 -23.9233 -71.8721 24.9228 -68.9174 -12.8938 -32.0349 23.9171 -32.4435 7.43272 TIMING: 3768800 CPU: 12195.2, 0.00399161/step Wall: 12195.2, 0.00399161/step, 1.36513 hours remaining, 233.558594 MB of memory in use. ENERGY: 3768800 4112.3404 20557.7022 14518.4708 254.9024 -203398.5688 2738.7061 0.0000 0.0000 51703.7750 -109512.6719 297.1423 -161216.4469 -109159.8230 299.1496 -38.9242 -12.8917 760820.2074 -9.7648 -9.7948 PRESSURE: 3769000 104.004 -179.622 -137.986 -179.62 174.468 45.7093 -137.986 45.7079 371.148 GPRESSURE: 3769000 163.56 -103.033 -164.398 -255.042 215.106 -7.50189 -46.931 186.922 373.6 PRESSAVG: 3769000 84.6774 5.02096 -13.9721 5.02102 -63.6422 -18.5227 -13.9722 -18.5228 8.98885 GPRESSAVG: 3769000 84.6535 5.76565 -16.1176 4.42749 -63.1782 -18.3683 -13.3507 -17.8224 8.41179 TIMING: 3769000 CPU: 12196, 0.00399654/step Wall: 12196, 0.00399654/step, 1.36659 hours remaining, 233.761719 MB of memory in use. ENERGY: 3769000 4016.2084 20694.3722 14359.6275 252.6954 -203526.6936 2745.4444 0.0000 0.0000 51920.3264 -109538.0193 298.3868 -161458.3457 -109179.8608 299.0595 216.5397 250.7553 761550.0976 10.0080 9.9624 PRESSURE: 3769200 148.279 89.4938 -34.9531 89.4946 -5.33706 -273.83 -34.9525 -273.831 -29.4677 GPRESSURE: 3769200 150.689 -7.90674 -10.5486 48.6392 34.8181 -215.874 -27.1057 -310.003 7.4776 PRESSAVG: 3769200 65.817 27.7927 -20.1789 27.7927 -48.6517 -17.9662 -20.1789 -17.9662 7.62474 GPRESSAVG: 3769200 65.2129 27.3504 -19.6267 28.4409 -47.669 -18.5303 -18.7262 -19.9982 7.80866 TIMING: 3769200 CPU: 12196.8, 0.00400558/step Wall: 12196.8, 0.00400558/step, 1.36946 hours remaining, 233.761719 MB of memory in use. ENERGY: 3769200 4013.6438 20598.3178 14477.9278 250.5504 -203458.6457 2684.6516 0.0000 0.0000 51912.9017 -109520.6527 298.3442 -161433.5544 -109166.7213 298.6331 37.8248 64.3281 761922.8533 8.2633 8.4508 PRESSURE: 3769400 62.4488 -385.401 33.4217 -385.402 -16.7452 151.774 33.4207 151.774 -107.035 GPRESSURE: 3769400 68.6141 -329.803 -124.004 -288.06 20.9277 142.64 88.8134 223.501 -73.6646 PRESSAVG: 3769400 60.2879 -28.294 -9.4695 -28.2941 -33.0517 -22.9754 -9.46954 -22.9755 19.5334 GPRESSAVG: 3769400 60.9916 -28.6996 -10.6754 -28.3949 -34.1452 -22.5944 -9.39332 -21.6924 19.8662 TIMING: 3769400 CPU: 12197.6, 0.00398683/step Wall: 12197.6, 0.00398683/step, 1.36283 hours remaining, 233.761719 MB of memory in use. ENERGY: 3769400 3960.2742 20532.5478 14461.6756 260.7639 -203072.7667 2452.4307 0.0000 0.0000 51956.0587 -109449.0157 298.5922 -161405.0744 -109077.9357 298.8311 -20.4440 5.2924 761911.3226 15.5899 15.5708 PRESSURE: 3769600 160.314 -9.77099 133.19 -9.77099 -110.738 -153.1 133.19 -153.101 -184.838 GPRESSURE: 3769600 181.996 20.0625 171.186 -76.2029 -70.7274 -206.621 58.9458 28.4112 -158.44 PRESSAVG: 3769600 40.2111 -26.3558 23.6815 -26.3558 -22.3799 -40.2312 23.6815 -40.2312 25.6667 GPRESSAVG: 3769600 39.9856 -23.4538 25.5136 -28.4309 -21.3532 -41.554 21.1758 -39.079 24.6827 TIMING: 3769600 CPU: 12198.4, 0.00400481/step Wall: 12198.4, 0.00400481/step, 1.36876 hours remaining, 233.761719 MB of memory in use. ENERGY: 3769600 3978.3186 20504.3782 14463.1209 241.9104 -202864.3166 2254.6766 0.0000 0.0000 52135.4075 -109286.5046 299.6229 -161421.9120 -108923.2207 299.0114 -45.0872 -15.7238 761273.8322 14.4993 14.4384 PRESSURE: 3769800 -58.9892 43.9075 94.0577 43.908 -472.192 -0.830814 94.0568 -0.83032 -65.2515 GPRESSURE: 3769800 36.0442 -9.60171 142.222 -99.7359 -494.618 -30.5858 110.174 28.751 -61.328 PRESSAVG: 3769800 43.2004 30.2178 68.6604 30.2178 -78.8458 -29.4407 68.6605 -29.4407 -34.321 GPRESSAVG: 3769800 42.9041 27.8233 68.0769 32.215 -79.1839 -28.16 69.4128 -30.0929 -34.4156 TIMING: 3769800 CPU: 12199.2, 0.00398084/step Wall: 12199.2, 0.00398084/step, 1.36034 hours remaining, 233.761719 MB of memory in use. ENERGY: 3769800 3995.9949 20540.4874 14467.0662 232.1770 -202896.5338 2146.0575 0.0000 0.0000 52102.0038 -109412.7468 299.4309 -161514.7507 -109048.3962 299.5866 -198.8109 -173.3005 762569.8920 -23.3221 -23.5652 PRESSURE: 3770000 -80.6779 -52.615 106.222 -52.6158 -13.2615 -81.9118 106.221 -81.9118 -200.5 GPRESSURE: 3770000 -123.273 -75.7756 110.973 -87.264 9.717 -120.573 158.043 -24.9905 -104.894 PRESSAVG: 3770000 29.4664 -47.9912 57.6242 -47.9913 -42.0433 3.52999 57.6241 3.53008 -7.63672 GPRESSAVG: 3770000 30.4978 -45.9788 56.2079 -49.5986 -42.9128 5.04271 59.7103 0.927048 -7.30673 TIMING: 3770000 CPU: 12200, 0.00398962/step Wall: 12200, 0.00398962/step, 1.36312 hours remaining, 233.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3770000 3980.5881 20417.3798 14485.8984 235.3629 -203199.1331 2550.8579 0.0000 0.0000 52178.6085 -109350.4375 299.8712 -161529.0461 -108996.1398 299.5042 -98.1464 -72.8169 760300.5739 -6.7379 -6.5739 PRESSURE: 3770200 -128.564 80.3169 -41.2559 80.3176 390.937 -64.8636 -41.2563 -64.8638 92.3117 GPRESSURE: 3770200 -9.19359 60.8156 -17.6765 119.173 363.764 -26.2433 -81.6681 -2.81346 94.1869 PRESSAVG: 3770200 53.2721 -22.1975 -11.7717 -22.1975 -27.1573 -11.1102 -11.7717 -11.1102 -7.45543 GPRESSAVG: 3770200 53.3057 -22.5355 -12.113 -21.95 -26.0488 -12.817 -10.9309 -9.21997 -8.13401 TIMING: 3770200 CPU: 12200.8, 0.00399092/step Wall: 12200.8, 0.00399092/step, 1.36334 hours remaining, 233.761719 MB of memory in use. ENERGY: 3770200 3909.6219 20530.1727 14413.3983 249.5285 -203129.4796 2569.1545 0.0000 0.0000 52088.9256 -109368.6779 299.3558 -161457.6036 -109021.7258 299.5707 118.2281 149.5858 760709.7309 6.2198 6.3743 PRESSURE: 3770400 -29.7892 188.759 71.1894 188.76 -133.328 -177.638 71.1896 -177.638 -316.966 GPRESSURE: 3770400 74.7699 124.109 -49.785 82.8864 -187.99 -112.092 83.3515 -88.9728 -284.602 PRESSAVG: 3770400 27.2056 -7.17161 -4.81496 -7.17156 -26.8202 -5.46238 -4.8149 -5.46226 -1.65309 GPRESSAVG: 3770400 27.7956 -7.9464 -1.84668 -4.97553 -28.1731 -4.24988 -9.1432 -5.75966 -1.16544 TIMING: 3770400 CPU: 12201.6, 0.00397665/step Wall: 12201.6, 0.00397665/step, 1.35825 hours remaining, 233.832031 MB of memory in use. ENERGY: 3770400 3973.3705 20521.0727 14494.0887 255.5990 -202750.0248 2242.6232 0.0000 0.0000 52150.5637 -109112.7071 299.7100 -161263.2708 -108758.8871 299.5000 -160.0278 -132.6075 760197.4499 -0.4225 -0.5143 PRESSURE: 3770600 -422.714 34.8649 35.8501 34.8652 -138.163 162.92 35.8491 162.92 -148.967 GPRESSURE: 3770600 -325.855 -14.0216 28.9015 47.0311 -121.026 159.399 91.2348 86.5791 -169.81 PRESSAVG: 3770600 10.7503 1.47148 -23.1672 1.47147 -21.7382 13.875 -23.1672 13.8752 6.61464 GPRESSAVG: 3770600 10.1976 0.491815 -24.218 2.91596 -19.0071 13.6161 -20.8911 13.8386 4.97394 TIMING: 3770600 CPU: 12202.4, 0.00399677/step Wall: 12202.4, 0.00399677/step, 1.3649 hours remaining, 233.832031 MB of memory in use. ENERGY: 3770600 3983.1739 20608.3462 14455.3238 236.7820 -202837.2783 2255.5825 0.0000 0.0000 52501.8906 -108796.1792 301.7291 -161298.0698 -108425.6983 300.0761 -236.6148 -205.5634 761165.4198 -1.4577 -1.2785 PRESSURE: 3770800 -247.504 122.499 8.5114 122.497 -206.216 124.802 8.51146 124.801 -70.5598 GPRESSURE: 3770800 -242.17 105.29 -59.3936 -16.3385 -183.308 99.1979 -102.729 23.1024 -5.78378 PRESSAVG: 3770800 27.4278 18.7599 11.7528 18.76 -11.2103 71.5146 11.7529 71.5146 -5.65476 GPRESSAVG: 3770800 28.3447 18.8302 10.8649 16.5946 -14.0652 70.33 11.2868 72.0327 -3.50808 TIMING: 3770800 CPU: 12203.2, 0.00399253/step Wall: 12203.2, 0.00399253/step, 1.36323 hours remaining, 233.910156 MB of memory in use. ENERGY: 3770800 3977.0136 20636.0046 14569.6338 242.8906 -203188.7333 2742.6824 0.0000 0.0000 52031.7022 -108988.8060 299.0269 -161020.5081 -108631.6437 300.2035 -174.7600 -143.7541 760927.6339 3.5209 3.5905 PRESSURE: 3771000 -128.937 289.364 50.0229 289.365 -259.911 102.337 50.0233 102.338 -40.3407 GPRESSURE: 3771000 -104.187 307.248 72.994 181.821 -163.432 5.99334 -11.0704 150.021 -77.6636 PRESSAVG: 3771000 11.9609 20.5944 28.4136 20.5944 -3.42721 35.1681 28.4136 35.1681 -3.53144 GPRESSAVG: 3771000 11.2615 22.4224 28.663 20.1629 -1.76273 34.7522 31.01 34.5284 -4.37316 TIMING: 3771000 CPU: 12204, 0.00401145/step Wall: 12204, 0.00401145/step, 1.36947 hours remaining, 233.910156 MB of memory in use. ENERGY: 3771000 4001.9475 20607.5872 14495.8148 266.2693 -203026.3423 2262.8407 0.0000 0.0000 52270.5510 -109121.3319 300.3996 -161391.8829 -108762.5843 299.8665 -143.0629 -115.0941 760870.3440 1.6674 1.7085 PRESSURE: 3771200 -130.148 38.5421 -192.792 38.5416 -23.4159 -51.4659 -192.792 -51.4654 -245.338 GPRESSURE: 3771200 -126.686 129.334 -171.692 39.6588 19.0498 -7.55944 -84.9233 -0.551903 -214.231 PRESSAVG: 3771200 54.3369 1.31475 -1.3405 1.31475 -65.1037 -15.7377 -1.34052 -15.7377 -34.2228 GPRESSAVG: 3771200 53.8492 1.35197 -1.54463 2.83941 -65.5462 -13.8682 -3.29071 -15.2065 -33.635 TIMING: 3771200 CPU: 12204.8, 0.00399028/step Wall: 12204.8, 0.00399028/step, 1.36201 hours remaining, 233.910156 MB of memory in use. ENERGY: 3771200 3920.7279 20475.9060 14521.6091 228.5125 -202837.2963 2278.8869 0.0000 0.0000 52312.1641 -109099.4899 300.6387 -161411.6539 -108725.6977 300.1497 -132.9671 -107.2890 761752.1632 -14.9965 -15.1106 PRESSURE: 3771400 -115.961 -25.2592 -133.595 -25.2598 185.434 74.8786 -133.595 74.8791 -118.795 GPRESSURE: 3771400 -86.2819 -42.562 -107.338 -35.2559 199.047 132.229 -115.665 188.748 -68.9949 PRESSAVG: 3771400 48.4037 -47.4599 -46.6742 -47.4599 -10.2825 20.0741 -46.6741 20.0742 26.2584 GPRESSAVG: 3771400 47.8563 -48.0867 -44.8041 -48.4192 -10.2563 19.1929 -47.1597 19.4123 27.0143 TIMING: 3771400 CPU: 12205.6, 0.00401669/step Wall: 12205.6, 0.00401669/step, 1.37081 hours remaining, 233.910156 MB of memory in use. ENERGY: 3771400 3955.9152 20588.0930 14500.3237 243.4824 -203525.1250 2508.7012 0.0000 0.0000 52428.9278 -109299.6817 301.3098 -161728.6095 -108933.1629 300.0766 -16.4407 14.5901 758910.7312 21.4599 21.5381 PRESSURE: 3771600 -335.82 -105.081 -20.4357 -105.081 44.4847 -6.16467 -20.4351 -6.16432 -10.422 GPRESSURE: 3771600 -259.415 -176.163 -5.07087 -75.2248 98.2601 -37.1638 -40.0777 64.7021 -64.6521 PRESSAVG: 3771600 60.6532 -33.9057 25.6372 -33.9058 -56.8641 6.5808 25.6372 6.58084 -2.9979 GPRESSAVG: 3771600 62.0462 -33.7751 25.0555 -34.8836 -56.2215 5.99331 24.2659 9.23652 -4.8146 TIMING: 3771600 CPU: 12206.4, 0.00402247/step Wall: 12206.4, 0.00402247/step, 1.37256 hours remaining, 233.910156 MB of memory in use. ENERGY: 3771600 3965.6993 20623.4352 14509.6669 256.8984 -202704.0476 2198.6979 0.0000 0.0000 51997.0571 -109152.5928 298.8278 -161149.6500 -108794.9803 299.7133 -100.5858 -75.2690 759633.2814 0.2638 0.3367 PRESSURE: 3771800 97.9153 -57.8644 -76.9643 -57.8651 -36.4957 -25.125 -76.9645 -25.1253 227.058 GPRESSURE: 3771800 230.236 -156.232 -62.7017 -114.016 -124.852 -29.4198 -35.0763 -30.9917 247.188 PRESSAVG: 3771800 81.0587 -6.13389 -51.6477 -6.13392 -81.4421 49.731 -51.6478 49.731 4.38125 GPRESSAVG: 3771800 80.8608 -4.71206 -51.981 -5.73908 -82.4273 50.9711 -50.484 48.2509 4.92727 TIMING: 3771800 CPU: 12207.2, 0.00402124/step Wall: 12207.2, 0.00402124/step, 1.37191 hours remaining, 233.910156 MB of memory in use. ENERGY: 3771800 4024.6070 20487.2259 14478.2837 244.7070 -203042.1113 2418.9696 0.0000 0.0000 52270.2282 -109118.0899 300.3977 -161388.3181 -108758.9894 299.9833 96.1592 117.5241 760368.4195 1.3326 1.1203 PRESSURE: 3772000 55.047 45.3787 -105.285 45.379 257.725 64.165 -105.285 64.1653 211.421 GPRESSURE: 3772000 135.137 -105.366 -167.615 -87.1568 264.677 58.3914 -121.777 27.4832 192.015 PRESSAVG: 3772000 53.5632 18.6828 -5.76258 18.6828 -13.802 92.9077 -5.76246 92.9076 6.62007 GPRESSAVG: 3772000 53.1953 16.6303 -5.60673 18.969 -13.8165 92.3368 -6.05023 94.5597 6.42422 TIMING: 3772000 CPU: 12208, 0.00403342/step Wall: 12208, 0.00403342/step, 1.37584 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3772000 3948.0682 20694.6559 14468.8500 248.2346 -203176.7138 2491.9473 0.0000 0.0000 52143.9113 -109181.0466 299.6718 -161324.9579 -108819.4351 299.7334 174.7312 197.2763 760037.8346 15.4604 15.2677 PRESSURE: 3772200 185.056 -124.304 -152.61 -124.304 -46.7195 -10.1923 -152.61 -10.1915 97.4605 GPRESSURE: 3772200 131.707 -104.42 -128.645 -166.128 27.797 -108.897 -99.0771 -22.0639 186.465 PRESSAVG: 3772200 42.0327 -1.59272 16.8606 -1.59275 -4.32284 29.6915 16.8606 29.6916 13.3309 GPRESSAVG: 3772200 42.1516 -0.523533 16.4462 0.623727 -3.49871 29.0176 18.4843 29.0748 13.4489 TIMING: 3772200 CPU: 12208.8, 0.00400895/step Wall: 12208.8, 0.00400895/step, 1.36727 hours remaining, 233.910156 MB of memory in use. ENERGY: 3772200 4069.1408 20523.4269 14551.8341 256.8940 -203372.6947 2513.6479 0.0000 0.0000 52187.0164 -109270.7345 299.9195 -161457.7509 -108902.7335 299.3264 78.5990 115.3231 760196.1683 17.0136 17.3673 LDB: ============= START OF LOAD BALANCING ============== 12221.4 LDB: ============== END OF LOAD BALANCING =============== 12221.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12221.4 LDB: ============= START OF LOAD BALANCING ============== 12221.8 LDB: Largest compute 7033 load 0.032367 is 16.7% of average load 0.193432 LDB: Average compute 0.004438 is 2.3% of average load 0.193432 LDB: TIME 12221.8 LOAD: AVG 0.193432 MAX 0.213454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.598 MB LDB: TIME 12221.8 LOAD: AVG 0.193432 MAX 0.213454 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.602 MB LDB: TIME 12221.8 LOAD: AVG 0.193432 MAX 0.213454 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.602 MB LDB: ============== END OF LOAD BALANCING =============== 12221.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12221.8 PRESSURE: 3772400 -210.274 -92.1914 -253.146 -92.1927 -92.0304 177.457 -253.145 177.457 -223.134 GPRESSURE: 3772400 -174.017 -49.4148 -192.526 -138.284 36.9875 163.151 -229.881 212.475 -288.559 PRESSAVG: 3772400 36.4296 -8.23743 30.8067 -8.23737 3.94211 -8.86869 30.8067 -8.86866 23.764 GPRESSAVG: 3772400 37.4275 -6.72379 30.7557 -11.5719 3.66559 -7.3992 30.8403 -11.2032 22.6663 TIMING: 3772400 CPU: 12209.7, 0.00407275/step Wall: 12209.7, 0.00407275/step, 1.38881 hours remaining, 233.058594 MB of memory in use. ENERGY: 3772400 3996.8863 20523.6708 14452.2195 245.1876 -203240.9700 2417.1729 0.0000 0.0000 52144.0924 -109461.7403 299.6728 -161605.8328 -109102.9665 299.1379 -175.1461 -141.8630 761268.9574 21.3786 21.2531 PRESSURE: 3772600 -101.809 -371.442 -30.6569 -371.442 -309.964 20.9283 -30.6573 20.9258 -76.3265 GPRESSURE: 3772600 -111.459 -301.784 -89.174 -305.562 -223.8 30.0743 -71.6109 105.031 -63.8017 PRESSAVG: 3772600 -23.805 -37.6635 29.9745 -37.6634 18.5726 5.76025 29.9745 5.76017 -2.22828 GPRESSAVG: 3772600 -24.4862 -38.2619 29.532 -37.3248 19.332 4.31163 28.388 9.88329 -2.19632 TIMING: 3772600 CPU: 12210.5, 0.00403273/step Wall: 12210.5, 0.00403273/step, 1.37494 hours remaining, 233.058594 MB of memory in use. ENERGY: 3772600 3965.0058 20416.3100 14576.8342 280.2570 -203276.0688 2427.5052 0.0000 0.0000 52119.7707 -109490.3859 299.5330 -161610.1567 -109131.5643 299.2014 -162.6999 -133.0202 760768.9470 -2.4869 -2.4502 PRESSURE: 3772800 -151.27 26.0354 -15.8316 26.0352 -7.84427 -122.823 -15.8324 -122.821 -450.684 GPRESSURE: 3772800 -89.577 46.74 -28.5387 -14.7033 47.8832 -125.701 136.191 41.5831 -465.106 PRESSAVG: 3772800 -3.26621 -68.4821 30.9428 -68.4822 13.2729 -6.69961 30.9428 -6.69959 17.013 GPRESSAVG: 3772800 -2.69962 -68.9107 31.6563 -67.4068 12.5199 -7.62092 31.9181 -6.25387 17.0838 TIMING: 3772800 CPU: 12211.3, 0.00399484/step Wall: 12211.3, 0.00399484/step, 1.3618 hours remaining, 233.058594 MB of memory in use. ENERGY: 3772800 4032.7063 20398.5606 14533.7245 247.2359 -203133.9316 2273.3428 0.0000 0.0000 52165.5629 -109482.7987 299.7962 -161648.3616 -109124.6505 299.5332 -203.2662 -168.9332 760226.7918 9.0066 8.9680 PRESSURE: 3773000 257.416 75.828 -121.924 75.8278 -90.4323 171.244 -121.924 171.245 241.063 GPRESSURE: 3773000 253.603 79.2639 -194.189 36.7798 3.78286 120.564 -111.09 48.5668 235.655 PRESSAVG: 3773000 4.9007 18.1997 72.4393 18.1997 12.8129 14.8607 72.4393 14.8607 17.6869 GPRESSAVG: 3773000 5.0803 20.0642 72.7886 17.1382 11.7027 16.6243 73.7772 14.2206 18.2912 TIMING: 3773000 CPU: 12212.1, 0.00400509/step Wall: 12212.1, 0.00400509/step, 1.36507 hours remaining, 233.058594 MB of memory in use. ENERGY: 3773000 3951.3506 20468.1599 14561.1867 255.0065 -203122.8329 2479.5052 0.0000 0.0000 51851.7501 -109555.8740 297.9927 -161407.6241 -109204.7439 299.2414 136.0157 164.3470 760499.5702 11.8002 11.6914 PRESSURE: 3773200 -258.399 -86.1502 84.9848 -86.1501 116.98 -79.6237 84.985 -79.6236 -236.637 GPRESSURE: 3773200 -186.243 -49.2413 54.6766 -22.8767 62.7727 -146.419 51.4412 -127.044 -190.127 PRESSAVG: 3773200 22.7881 21.7828 34.2963 21.7828 -49.6156 -9.65927 34.2963 -9.65935 3.80823 GPRESSAVG: 3773200 23.209 20.3495 34.1478 23.4109 -50.084 -8.97862 31.0017 -12.5174 3.75778 TIMING: 3773200 CPU: 12212.9, 0.0040065/step Wall: 12212.9, 0.0040065/step, 1.36533 hours remaining, 233.058594 MB of memory in use. ENERGY: 3773200 3999.2542 20762.0746 14473.9802 244.2985 -203223.8652 2339.9394 0.0000 0.0000 51999.4613 -109404.8570 298.8416 -161404.3184 -109051.0086 299.3045 -126.0187 -104.5323 762564.3732 -7.6731 -7.7058 PRESSURE: 3773400 -149.223 202.549 -261.866 202.55 -204.876 4.49411 -261.866 4.49327 28.9611 GPRESSURE: 3773400 -94.494 259.682 -216.393 93.5075 -156.434 -10.58 -241.316 -67.5522 22.2519 PRESSAVG: 3773400 -47.9962 38.0831 21.4393 38.0831 -8.44524 25.2499 21.4392 25.2499 6.69709 GPRESSAVG: 3773400 -49.3309 37.2396 21.1547 37.4736 -7.32946 24.8572 23.8887 26.9142 7.16933 TIMING: 3773400 CPU: 12213.7, 0.00401585/step Wall: 12213.7, 0.00401585/step, 1.36829 hours remaining, 233.058594 MB of memory in use. ENERGY: 3773400 3978.3105 20588.1610 14452.7188 255.0125 -203200.0805 2473.8914 0.0000 0.0000 51960.3972 -109491.5892 298.6171 -161451.9864 -109126.2253 299.7110 -108.3793 -76.2254 759761.7298 -16.5814 -16.4970 PRESSURE: 3773600 166.931 -51.6959 133.955 -51.6954 -34.6635 66.3623 133.954 66.3633 437.299 GPRESSURE: 3773600 202.189 77.3452 95.3971 -122.893 -29.5538 34.797 87.5846 95.0304 456.922 PRESSAVG: 3773600 -17.4142 10.2286 -10.4646 10.2285 -22.3073 -26.4371 -10.4645 -26.4371 7.22387 GPRESSAVG: 3773600 -17.3859 11.5858 -11.5512 11.0966 -22.5942 -28.3337 -10.2543 -25.5832 7.64006 TIMING: 3773600 CPU: 12214.5, 0.00402669/step Wall: 12214.5, 0.00402669/step, 1.37176 hours remaining, 233.058594 MB of memory in use. ENERGY: 3773600 3962.7291 20612.0919 14450.4569 241.2443 -203004.2016 2305.9945 0.0000 0.0000 51969.4941 -109462.1908 298.6694 -161431.6849 -109105.3963 299.1449 189.8553 209.8524 760076.8433 -10.8325 -10.7800 PRESSURE: 3773800 -211.771 -117.512 -215.814 -117.512 70.2668 -147.135 -215.814 -147.135 -43.5423 GPRESSURE: 3773800 -252.887 -97.7296 -173.941 -120.165 191.428 -129.252 -143.026 -107.5 -32.4089 PRESSAVG: 3773800 -30.3195 -32.094 34.1959 -32.0939 9.89154 47.1669 34.1958 47.1669 -6.5898 GPRESSAVG: 3773800 -29.7993 -31.3416 34.5893 -33.5255 9.19464 47.3454 32.6791 46.2162 -6.31634 TIMING: 3773800 CPU: 12215.3, 0.00401747/step Wall: 12215.3, 0.00401748/step, 1.3684 hours remaining, 233.058594 MB of memory in use. ENERGY: 3773800 3983.0298 20572.1740 14505.6508 252.3915 -203419.6489 2636.2059 0.0000 0.0000 52104.9856 -109365.2112 299.4481 -161470.1968 -108994.4097 299.6188 -61.6821 -31.2893 759993.8108 -9.0059 -8.9737 PRESSURE: 3774000 -124.573 199.855 -7.92324 199.856 111.245 26.3511 -7.92259 26.3511 -484.984 GPRESSURE: 3774000 -119.394 194.384 51.7697 120.641 169.009 53.3325 -78.6922 -101.356 -442.229 PRESSAVG: 3774000 -2.03825 -16.6985 54.6945 -16.6985 13.0167 -32.6961 54.6944 -32.6961 -24.4382 GPRESSAVG: 3774000 -2.50498 -17.0217 56.0551 -14.8081 14.2123 -31.4067 54.7093 -33.0111 -25.4132 TIMING: 3774000 CPU: 12216.1, 0.00398869/step Wall: 12216.1, 0.00398869/step, 1.35837 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 3906.2464 20547.0488 14422.0877 257.3243 -203122.8583 2584.3394 0.0000 0.0000 52050.9174 -109354.8943 299.1373 -161405.8117 -108983.5343 299.8937 -166.1040 -130.8714 761801.5593 -4.4866 -4.5686 PRESSURE: 3774200 138.134 109.189 -166.643 109.188 20.4209 -122.264 -166.644 -122.263 62.9908 GPRESSURE: 3774200 214.61 170.481 -174.658 -33.5686 -17.2945 -144.387 -198.262 -277.123 99.5386 PRESSAVG: 3774200 -29.0794 -62.392 6.23921 -62.392 -50.5066 -9.64476 6.23925 -9.6448 1.23805 GPRESSAVG: 3774200 -27.9411 -61.9026 5.99498 -63.3832 -51.5865 -10.393 5.13822 -11.4165 1.62475 TIMING: 3774200 CPU: 12216.9, 0.00399681/step Wall: 12216.9, 0.00399681/step, 1.36091 hours remaining, 233.058594 MB of memory in use. ENERGY: 3774200 4017.5055 20518.2659 14490.2707 258.8748 -203204.1163 2542.9853 0.0000 0.0000 51817.8172 -109558.3969 297.7977 -161376.2140 -109198.8493 299.1509 73.8484 98.9514 760015.4255 -26.1160 -25.9676 PRESSURE: 3774400 -136.141 38.9424 74.4899 38.9424 53.7869 227.276 74.4896 227.276 41.3934 GPRESSURE: 3774400 -123.438 52.9483 143.041 -53.7308 119.5 240.514 48.1084 115.777 60.2157 PRESSAVG: 3774400 -14.5339 -6.67963 5.75633 -6.67959 41.9165 -38.8782 5.7563 -38.8783 15.1075 GPRESSAVG: 3774400 -14.8957 -7.57078 7.42058 -7.34736 42.9884 -40.3724 5.76917 -36.8835 14.2629 TIMING: 3774400 CPU: 12217.7, 0.00399961/step Wall: 12217.7, 0.00399961/step, 1.36165 hours remaining, 233.058594 MB of memory in use. ENERGY: 3774400 4018.2149 20485.9212 14504.1852 260.5076 -203347.6516 2511.3051 0.0000 0.0000 52114.9979 -109452.5197 299.5056 -161567.5176 -109080.6221 299.6420 -13.6536 18.7589 760079.9250 14.1634 14.1186 PRESSURE: 3774600 -211.761 -192.817 -136.092 -192.818 239.583 -194.516 -136.092 -194.517 -380.913 GPRESSURE: 3774600 -152.36 -124.348 -182.048 -111.747 251.99 -181.822 -120.087 -116.981 -360.333 PRESSAVG: 3774600 -23.0387 -41.1952 25.7497 -41.1953 -34.3972 -11.0405 25.7497 -11.0404 -13.9294 GPRESSAVG: 3774600 -23.751 -42.1732 23.1847 -40.9967 -35.0537 -10.0331 28.749 -12.6731 -12.5937 TIMING: 3774600 CPU: 12218.5, 0.00401847/step Wall: 12218.5, 0.00401847/step, 1.36784 hours remaining, 233.058594 MB of memory in use. ENERGY: 3774600 3970.2287 20429.5788 14410.5715 245.2693 -203118.6350 2575.6002 0.0000 0.0000 51872.8625 -109614.5239 298.1141 -161487.3864 -109242.1998 298.9545 -117.6971 -86.9013 760768.5219 -23.7884 -23.7995 PRESSURE: 3774800 -286.911 -42.8059 -72.9071 -42.8061 -300.678 86.1236 -72.9076 86.1228 -107.883 GPRESSURE: 3774800 -131.387 -38.9521 -82.4952 43.441 -253.743 138.354 -68.314 124.161 -205.236 PRESSAVG: 3774800 -71.6164 -28.4914 8.83483 -28.4914 50.752 2.54563 8.83477 2.54558 8.46309 GPRESSAVG: 3774800 -70.3636 -27.5526 9.94133 -27.472 50.2542 2.69823 7.11182 2.86281 7.79571 TIMING: 3774800 CPU: 12219.3, 0.00400364/step Wall: 12219.3, 0.00400364/step, 1.36257 hours remaining, 233.058594 MB of memory in use. ENERGY: 3774800 4058.7923 20606.0718 14541.4723 239.2127 -203051.3915 2278.7888 0.0000 0.0000 51726.9696 -109600.0840 297.2756 -161327.0536 -109231.8368 298.6409 -231.8243 -196.7888 759846.6729 -4.1338 -4.1046 PRESSURE: 3775000 33.3849 -126.908 204.054 -126.908 325.251 -102.893 204.053 -102.894 -84.2853 GPRESSURE: 3775000 81.3297 -212.788 129.732 -176.014 279.539 -82.8511 209.166 -1.72056 6.73725 PRESSAVG: 3775000 11.324 -25.7858 -5.81314 -25.7858 -9.95278 11.3132 -5.81323 11.3131 -17.151 GPRESSAVG: 3775000 10.1807 -27.071 -7.38374 -24.3216 -10.2151 11.7651 -3.55111 11.0853 -16.5186 TIMING: 3775000 CPU: 12220.1, 0.00402847/step Wall: 12220.1, 0.00402847/step, 1.3708 hours remaining, 233.058594 MB of memory in use. ENERGY: 3775000 3974.4024 20500.6634 14499.8328 243.9572 -203468.5124 2618.9338 0.0000 0.0000 52042.6158 -109588.1070 299.0896 -161630.7228 -109223.1654 299.0061 91.4503 122.5353 759821.8852 -5.2599 -5.5177 PRESSURE: 3775200 -29.762 -77.092 33.7079 -77.0922 61.3997 -67.9573 33.7074 -67.9561 -172.165 GPRESSURE: 3775200 -67.1052 -71.8473 -13.4354 33.901 101.361 -34.1247 27.9341 -70.5227 -95.7617 PRESSAVG: 3775200 -17.8175 -51.003 -21.5778 -51.0031 38.4702 -24.1407 -21.5777 -24.1406 6.26439 GPRESSAVG: 3775200 -18.5123 -52.4223 -22.8773 -52.5509 39.0772 -23.8434 -24.1191 -23.6547 5.90701 TIMING: 3775200 CPU: 12220.9, 0.00401294/step Wall: 12220.9, 0.00401294/step, 1.36529 hours remaining, 233.058594 MB of memory in use. ENERGY: 3775200 4076.4403 20569.2111 14465.5297 268.2621 -203674.8875 2693.8554 0.0000 0.0000 51930.2845 -109671.3043 298.4441 -161601.5888 -109310.1416 299.1846 -46.8426 -20.5021 759971.4934 8.9724 8.8240 PRESSURE: 3775400 -337.146 -49.8721 -282.219 -49.8707 -14.4957 64.4196 -282.219 64.4192 125.111 GPRESSURE: 3775400 -301.26 25.1338 -273.492 -9.91962 36.4596 40.7175 -196.954 -15.9198 114.605 PRESSAVG: 3775400 4.96248 -45.9386 3.67809 -45.9385 22.3123 -12.6873 3.67808 -12.6873 -12.5499 GPRESSAVG: 3775400 6.0621 -42.9733 4.76225 -45.6797 21.7598 -13.8199 5.69234 -11.8879 -12.5319 TIMING: 3775400 CPU: 12221.7, 0.00402826/step Wall: 12221.7, 0.00402826/step, 1.37028 hours remaining, 233.058594 MB of memory in use. ENERGY: 3775400 4011.9379 20385.1329 14444.0899 252.2758 -203590.5161 2623.3594 0.0000 0.0000 52334.9402 -109538.7800 300.7696 -161873.7202 -109160.3312 299.0674 -75.5104 -50.0650 759386.0929 4.9083 5.0967 PRESSURE: 3775600 188.145 -110.561 -90.5259 -110.562 -139.058 150.406 -90.5252 150.406 5.39105 GPRESSURE: 3775600 210.964 -63.449 -21.3635 -96.8109 -129.088 160.524 -207.212 204.358 66.812 PRESSAVG: 3775600 5.08387 -78.7196 -31.514 -78.7196 -5.90293 -56.8768 -31.5139 -56.8767 13.5815 GPRESSAVG: 3775600 5.36209 -79.7403 -32.5961 -82.19 -5.81814 -56.0125 -31.6921 -56.6593 13.3436 TIMING: 3775600 CPU: 12222.5, 0.00401054/step Wall: 12222.5, 0.00401054/step, 1.36403 hours remaining, 233.058594 MB of memory in use. ENERGY: 3775600 3995.6504 20497.6965 14511.0883 234.9572 -203260.5278 2510.0906 0.0000 0.0000 52036.3875 -109474.6573 299.0538 -161511.0448 -109117.8471 299.5226 18.1591 49.5625 761351.2161 4.2542 4.2958 PRESSURE: 3775800 -31.8502 -205.495 -212.279 -205.495 18.4695 -57.3826 -212.279 -57.3825 565.933 GPRESSURE: 3775800 36.0417 -276.815 -123.298 -254.076 51.1653 -6.48347 -147.552 129.51 525.71 PRESSAVG: 3775800 -74.3863 21.2821 -16.1697 21.2821 48.2645 1.55913 -16.1697 1.55907 6.89416 GPRESSAVG: 3775800 -75.1206 20.0886 -13.7695 25.0578 48.0818 1.57689 -18.4833 0.81366 7.31406 TIMING: 3775800 CPU: 12223.3, 0.00397967/step Wall: 12223.3, 0.00397967/step, 1.35331 hours remaining, 233.058594 MB of memory in use. ENERGY: 3775800 4039.0633 20445.3763 14477.0604 230.3932 -203464.1590 2571.1903 0.0000 0.0000 52248.2446 -109452.8308 300.2714 -161701.0754 -109098.0912 299.5088 184.1843 204.3057 760400.5986 -6.4092 -6.5749 PRESSURE: 3776000 -105.914 -128.072 370.087 -128.073 -269.139 50.0909 370.088 50.0904 283.307 GPRESSURE: 3776000 -99.1192 -257.098 289.755 -67.0844 -189.269 95.6971 346.581 -108.968 283.26 PRESSAVG: 3776000 -46.2084 -94.9288 6.92427 -94.9287 54.7058 29.5926 6.92422 29.5926 19.0621 GPRESSAVG: 3776000 -45.8374 -94.6474 5.15521 -94.3688 54.4318 29.2351 9.42415 29.5641 18.9166 TIMING: 3776000 CPU: 12224.1, 0.00399259/step Wall: 12224.1, 0.00399259/step, 1.35748 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 3913.6987 20561.5168 14534.8847 234.2727 -203632.2176 2798.7300 0.0000 0.0000 51903.7837 -109685.3310 298.2918 -161589.1147 -109323.5207 299.2832 -30.5819 -1.7092 759867.8721 9.1865 9.1703 PRESSURE: 3776200 -421.669 -57.8131 -187.581 -57.8137 -329.712 374.404 -187.58 374.404 -106.971 GPRESSURE: 3776200 -475.222 35.6892 -275.338 23.2331 -197.981 337.993 -74.0997 200.177 -90.3337 PRESSAVG: 3776200 -9.24105 -38.0341 6.29957 -38.0342 43.3152 43.4585 6.29958 43.4585 -14.0919 GPRESSAVG: 3776200 -9.70657 -36.8844 7.14817 -41.7401 44.4515 43.1723 3.67232 43.4672 -14.5929 TIMING: 3776200 CPU: 12224.9, 0.00402153/step Wall: 12224.9, 0.00402153/step, 1.3671 hours remaining, 233.058594 MB of memory in use. ENERGY: 3776200 4040.1938 20587.8279 14501.4518 233.8571 -203306.4102 2214.1261 0.0000 0.0000 51867.3601 -109861.5935 298.0824 -161728.9535 -109502.5528 298.8516 -286.1172 -254.5122 760196.8575 6.6608 6.7174 LDB: ============= START OF LOAD BALANCING ============== 12237.4 LDB: ============== END OF LOAD BALANCING =============== 12237.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12237.4 LDB: ============= START OF LOAD BALANCING ============== 12237.8 LDB: Largest compute 7069 load 0.033565 is 17.4% of average load 0.193411 LDB: Average compute 0.004443 is 2.3% of average load 0.193411 LDB: TIME 12237.8 LOAD: AVG 0.193411 MAX 0.212135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.375 MB LDB: TIME 12237.8 LOAD: AVG 0.193411 MAX 0.212135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: TIME 12237.8 LOAD: AVG 0.193411 MAX 0.212135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: ============== END OF LOAD BALANCING =============== 12237.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12237.8 PRESSURE: 3776400 253.985 37.9164 -5.36963 37.9166 93.455 150.004 -5.37004 150.004 -154.053 GPRESSURE: 3776400 139.31 162.405 24.0893 -34.5823 142.577 96.8407 -45.1499 33.8351 4.37055 PRESSAVG: 3776400 -13.4029 -48.0698 -5.74305 -48.0698 15.1315 -3.3873 -5.743 -3.38734 17.2493 GPRESSAVG: 3776400 -13.7621 -51.052 -5.78767 -45.7164 15.0795 -3.24787 -1.24921 -2.75588 17.6877 TIMING: 3776400 CPU: 12225.7, 0.00402408/step Wall: 12225.7, 0.00402408/step, 1.36774 hours remaining, 233.882812 MB of memory in use. ENERGY: 3776400 3969.0597 20527.3293 14517.7384 258.0059 -203907.5286 2802.9332 0.0000 0.0000 51959.9027 -109872.5593 298.6143 -161832.4620 -109509.1651 298.3206 64.4621 95.4190 759909.7415 6.3259 6.3351 PRESSURE: 3776600 -20.7917 184.686 102.647 184.685 41.3791 284.046 102.647 284.046 19.1059 GPRESSURE: 3776600 83.9272 225.979 75.8227 146.947 18.773 274.341 55.8281 273.784 10.0899 PRESSAVG: 3776600 12.865 -18.3292 -46.183 -18.3293 16.5 16.8809 -46.1831 16.8809 -17.824 GPRESSAVG: 3776600 12.616 -14.9188 -48.2255 -18.355 16.4309 16.5991 -47.3614 16.7192 -17.6314 TIMING: 3776600 CPU: 12226.5, 0.00396657/step Wall: 12226.5, 0.00396657/step, 1.34797 hours remaining, 234.011719 MB of memory in use. ENERGY: 3776600 4038.7289 20609.7315 14508.9233 271.0411 -203452.0442 2562.0470 0.0000 0.0000 51895.5705 -109566.0019 298.2446 -161461.5724 -109210.1183 299.0112 13.2311 37.5967 760697.6529 3.8470 3.8052 PRESSURE: 3776800 382.243 124.9 -79.6568 124.901 321.43 201.368 -79.6568 201.368 122.444 GPRESSURE: 3776800 340.932 189.825 -91.7526 20.2249 443.255 170.868 -112.049 275.684 116.299 PRESSAVG: 3776800 33.1586 -50.1768 24.1891 -50.1768 -47.9204 40.0986 24.1891 40.0986 -13.7132 GPRESSAVG: 3776800 33.9883 -50.7016 26.8686 -50.1565 -48.3537 39.8956 23.6886 39.1979 -14.4083 TIMING: 3776800 CPU: 12227.3, 0.00398543/step Wall: 12227.3, 0.00398543/step, 1.35416 hours remaining, 234.199219 MB of memory in use. ENERGY: 3776800 4004.4320 20602.4783 14459.2407 239.9715 -203897.5260 2667.7861 0.0000 0.0000 52264.6678 -109658.9495 300.3658 -161923.6172 -109299.6505 299.4702 275.3723 300.1617 759424.5465 -9.4917 -9.5913 PRESSURE: 3777000 -106.231 -189.008 33.4841 -189.008 121 -149.311 33.4852 -149.311 -242.705 GPRESSURE: 3777000 12.3657 -90.16 137.985 -189.018 154.361 -131.934 79.3176 57.234 -303.62 PRESSAVG: 3777000 16.8889 -8.72612 -25.8841 -8.7261 34.1155 50.1138 -25.8841 50.1138 -28.0871 GPRESSAVG: 3777000 17.6259 -8.14364 -25.0431 -8.10227 33.8624 50.9685 -27.0611 51.6329 -28.4983 TIMING: 3777000 CPU: 12228.1, 0.00399415/step Wall: 12228.1, 0.00399415/step, 1.3569 hours remaining, 234.199219 MB of memory in use. ENERGY: 3777000 4031.3390 20659.8721 14449.5791 282.4049 -203563.2486 2559.1909 0.0000 0.0000 51950.7733 -109630.0892 298.5618 -161580.8625 -109283.2507 299.3790 -75.9785 -45.6308 760378.6000 7.6391 7.6633 PRESSURE: 3777200 127.239 -221.778 75.8261 -221.778 -101.696 305.163 75.8262 305.163 39.8749 GPRESSURE: 3777200 112.508 -218.696 28.3098 -175.749 -18.8743 287.01 -26.8055 160.845 96.9454 PRESSAVG: 3777200 41.6732 -15.614 8.99369 -15.6141 -2.75803 3.24534 8.99361 3.24529 9.41874 GPRESSAVG: 3777200 40.1268 -15.3443 7.56539 -17.4111 -1.7797 1.94833 11.3443 2.78611 10.0466 TIMING: 3777200 CPU: 12228.9, 0.0039951/step Wall: 12228.9, 0.0039951/step, 1.357 hours remaining, 234.199219 MB of memory in use. ENERGY: 3777200 3969.9042 20455.9194 14508.6251 239.8075 -203488.3693 2616.7022 0.0000 0.0000 52011.7755 -109685.6353 298.9124 -161697.4109 -109321.8050 298.9536 21.8060 63.5265 759580.8987 16.1113 16.1312 PRESSURE: 3777400 86.5965 -47.86 103.291 -47.8598 -154.956 -52.8028 103.291 -52.8022 -293.018 GPRESSURE: 3777400 122.009 -19.2476 66.4246 -137.419 -59.0198 -18.8231 -7.5724 -75.1251 -323.803 PRESSAVG: 3777400 22.6641 7.51981 1.15566 7.51974 -53.4703 -10.981 1.15567 -10.981 6.08713 GPRESSAVG: 3777400 22.6995 6.91326 0.977781 7.34534 -53.3494 -10.4082 -1.86925 -10.8425 5.8808 TIMING: 3777400 CPU: 12229.7, 0.00400836/step Wall: 12229.7, 0.00400836/step, 1.36128 hours remaining, 234.269531 MB of memory in use. ENERGY: 3777400 4125.1371 20486.7067 14535.3425 261.0449 -203491.2715 2499.5538 0.0000 0.0000 51888.4821 -109695.0044 298.2038 -161583.4865 -109331.2950 299.2935 -120.4592 -86.9378 760486.9080 -8.2397 -8.2564 PRESSURE: 3777600 68.0901 195.248 445.352 195.248 -20.0139 138.754 445.351 138.754 339.661 GPRESSURE: 3777600 173.12 198.809 425.164 151.675 -8.59699 170.021 484.961 1.50494 301.601 PRESSAVG: 3777600 29.5964 -38.6507 46.977 -38.6507 -55.8293 -12.83 46.977 -12.8301 -26.4874 GPRESSAVG: 3777600 29.3878 -39.2149 46.9478 -37.2852 -56.4463 -12.2841 49.4793 -11.5936 -26.2309 TIMING: 3777600 CPU: 12230.5, 0.00397454/step Wall: 12230.5, 0.00397454/step, 1.34958 hours remaining, 234.269531 MB of memory in use. ENERGY: 3777600 3976.1980 20622.4462 14425.3385 257.5975 -203695.7116 2736.7699 0.0000 0.0000 52140.0467 -109537.3148 299.6496 -161677.3615 -109172.9436 298.8688 129.2457 155.3747 760173.8905 -17.5734 -17.7631 PRESSURE: 3777800 -196.258 57.3776 -164.16 57.377 -173.822 15.142 -164.159 15.1418 -331.463 GPRESSURE: 3777800 -191.277 -41.8785 -107.886 116.524 -229.181 -38.6555 -273.629 10.8662 -226.593 PRESSAVG: 3777800 63.4879 -52.1332 -0.243401 -52.1331 -21.8496 -20.5337 -0.243342 -20.5337 12.3453 GPRESSAVG: 3777800 62.975 -53.3927 2.02172 -53.2667 -22.4073 -21.4561 -1.38407 -21.3656 13.3807 TIMING: 3777800 CPU: 12231.3, 0.00395987/step Wall: 12231.3, 0.00395987/step, 1.34437 hours remaining, 234.269531 MB of memory in use. ENERGY: 3777800 4019.5673 20471.1139 14502.4888 245.6568 -203767.1571 2572.1108 0.0000 0.0000 52324.2037 -109632.0160 300.7079 -161956.2196 -109270.8752 299.0551 -233.8476 -215.6839 759457.1743 17.9945 17.9828 PRESSURE: 3778000 -12.6146 -78.6498 43.6041 -78.6503 118.637 -83.6041 43.6043 -83.6047 15.898 GPRESSURE: 3778000 53.8027 -5.90438 -0.621017 -95.9432 179.231 -104.856 169.585 52.3897 -29.2636 PRESSAVG: 3778000 52.529 -16.8708 -4.37676 -16.8708 -38.5708 -39.5082 -4.37684 -39.5083 20.9843 GPRESSAVG: 3778000 51.7187 -15.998 -5.41997 -16.6703 -37.3725 -40.4118 -3.78932 -38.2909 20.6557 TIMING: 3778000 CPU: 12232.1, 0.00396972/step Wall: 12232.1, 0.00396972/step, 1.3475 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3778000 4020.5878 20406.1277 14520.7843 250.9627 -203376.0324 2720.9262 0.0000 0.0000 51991.7089 -109464.9347 298.7971 -161456.6436 -109096.4936 299.4571 40.6402 67.9233 760673.8622 11.6475 11.6673 PRESSURE: 3778200 -12.1485 -127.369 32.2823 -127.37 -303.741 -69.8428 32.2812 -69.8423 505.512 GPRESSURE: 3778200 21.3818 -34.1333 36.502 -143.777 -229.928 -53.0395 -82.6104 21.1504 483.626 PRESSAVG: 3778200 -31.8133 5.5718 10.4537 5.57182 25.2141 -12.8303 10.4537 -12.8303 -2.28367 GPRESSAVG: 3778200 -31.8424 8.32405 10.0327 4.37598 25.6128 -11.5459 9.3215 -13.9858 -2.23263 TIMING: 3778200 CPU: 12232.9, 0.00398595/step Wall: 12232.9, 0.00398595/step, 1.35279 hours remaining, 234.269531 MB of memory in use. ENERGY: 3778200 4018.7548 20528.3419 14501.4277 265.7849 -203232.9766 2553.7760 0.0000 0.0000 51955.7052 -109409.1862 298.5902 -161364.8914 -109041.9807 298.7551 63.2077 91.6931 760591.4985 -2.9610 -2.8207 PRESSURE: 3778400 -331.658 -17.1766 223.917 -17.176 -45.0994 100.827 223.916 100.827 177.238 GPRESSURE: 3778400 -295.437 -15.1066 237.715 -43.7968 76.3683 35.4429 198.061 76.6172 101.943 PRESSAVG: 3778400 23.5851 33.3354 9.08827 33.3354 32.0638 1.68416 9.08829 1.68413 3.67992 GPRESSAVG: 3778400 24.9568 28.787 9.06505 35.7692 31.1578 1.3735 7.77937 2.94567 2.7932 TIMING: 3778400 CPU: 12233.7, 0.0040075/step Wall: 12233.7, 0.0040075/step, 1.35988 hours remaining, 234.269531 MB of memory in use. ENERGY: 3778400 3998.7533 20548.7425 14423.1856 247.2318 -203438.1596 2598.6021 0.0000 0.0000 52280.4828 -109341.1616 300.4567 -161621.6444 -108971.5373 299.6188 -66.5067 -39.0421 760738.8442 19.7762 19.6360 PRESSURE: 3778600 -178.858 155.8 119.473 155.799 174.861 21.7931 119.474 21.792 -167.743 GPRESSURE: 3778600 -149.321 58.8951 61.7295 116.418 135.714 -29.3151 64.2414 47.364 -84.3028 PRESSAVG: 3778600 -85.2695 6.05406 30.4909 6.05408 63.5819 9.87691 30.4909 9.87691 -14.4576 GPRESSAVG: 3778600 -85.4094 8.45652 29.29 4.27611 62.3292 10.04 32.6909 9.65107 -13.1727 TIMING: 3778600 CPU: 12234.5, 0.00401503/step Wall: 12234.5, 0.00401503/step, 1.36221 hours remaining, 234.269531 MB of memory in use. ENERGY: 3778600 3981.6886 20689.1283 14573.1931 258.1849 -203105.2399 2396.6786 0.0000 0.0000 52103.4716 -109102.8948 299.4394 -161206.3664 -108750.0942 300.0874 -57.2467 -32.6366 760577.4386 -12.0484 -12.0843 PRESSURE: 3778800 -346.697 115.881 39.4006 115.881 -453.009 48.0174 39.4008 48.0179 -354.55 GPRESSURE: 3778800 -312.622 50.2148 32.7502 226.1 -393.867 62.5799 84.6817 104.529 -362.226 PRESSAVG: 3778800 16.3936 -32.9961 45.4337 -32.9961 37.0235 38.7326 45.4336 38.7325 25.3533 GPRESSAVG: 3778800 17.4562 -33.8636 46.0105 -32.5968 36.9236 39.0057 44.321 38.5103 24.3471 TIMING: 3778800 CPU: 12235.3, 0.00398026/step Wall: 12235.3, 0.00398026/step, 1.35019 hours remaining, 234.269531 MB of memory in use. ENERGY: 3778800 4019.1996 20529.6057 14511.7277 239.4704 -202823.8490 2065.5457 0.0000 0.0000 52367.1739 -109091.1261 300.9549 -161458.3000 -108722.8567 300.2721 -384.7518 -356.2385 760274.9868 26.2568 26.2423 PRESSURE: 3779000 -333.716 68.1534 -148.872 68.1544 -131.73 49.8076 -148.871 49.8077 -421.89 GPRESSURE: 3779000 -316.857 91.2071 -139.252 60.4018 -85.9105 39.6726 -13.1097 -1.32549 -375.801 PRESSAVG: 3779000 -37.2176 25.8802 -22.8967 25.8802 3.28279 -32.9113 -22.8967 -32.9113 6.94052 GPRESSAVG: 3779000 -38.5147 27.4821 -22.5153 26.0141 5.77693 -31.5995 -21.3278 -33.0632 5.75086 TIMING: 3779000 CPU: 12236.1, 0.00399581/step Wall: 12236.1, 0.00399581/step, 1.35525 hours remaining, 234.269531 MB of memory in use. ENERGY: 3779000 4013.1273 20560.8347 14483.6604 251.3631 -203025.0146 2382.4689 0.0000 0.0000 52196.3285 -109137.2317 299.9730 -161333.5602 -108773.8061 299.6745 -295.7787 -259.5229 762992.6328 -8.9981 -8.9956 PRESSURE: 3779200 200.148 82.4251 -48.0718 82.4247 -41.1217 -185.193 -48.071 -185.193 42.6148 GPRESSURE: 3779200 242.863 -45.988 -40.334 -24.3408 -11.0921 -172.542 -155.793 -108.558 75.9817 PRESSAVG: 3779200 -9.52517 -14.0957 8.75004 -14.0957 -3.46724 -3.61644 8.75001 -3.61649 -5.12804 GPRESSAVG: 3779200 -7.93317 -14.7919 8.83282 -13.285 -6.7744 -5.21739 6.39978 -3.86309 -3.23259 TIMING: 3779200 CPU: 12236.9, 0.00401781/step Wall: 12236.9, 0.00401781/step, 1.36248 hours remaining, 234.269531 MB of memory in use. ENERGY: 3779200 3996.6260 20492.4912 14526.1365 253.0341 -203561.5890 2829.2179 0.0000 0.0000 52253.5782 -109210.5050 300.3020 -161464.0833 -108839.0356 299.6981 67.2138 102.5843 761478.7569 -6.0401 -5.9801 PRESSURE: 3779400 -312.8 45.559 -146.851 45.5586 -157.216 -97.4982 -146.852 -97.4993 -323.881 GPRESSURE: 3779400 -329.641 -102.673 -119.812 34.5027 -54.2834 -27.1765 -180.689 -97.0557 -317.393 PRESSAVG: 3779400 27.1473 -4.68856 -22.2879 -4.68859 25.4854 -4.5675 -22.2879 -4.56747 -11.492 GPRESSAVG: 3779400 26.1029 -3.37226 -22.1098 -4.6518 26.9993 -2.64938 -20.6902 -4.1297 -12.2123 TIMING: 3779400 CPU: 12237.7, 0.00400967/step Wall: 12237.7, 0.00400967/step, 1.3595 hours remaining, 234.269531 MB of memory in use. ENERGY: 3779400 4063.5536 20410.2990 14481.5143 257.4061 -202958.7413 2234.4455 0.0000 0.0000 52347.6248 -109163.8980 300.8425 -161511.5228 -108793.9492 299.7841 -264.6323 -233.7725 762786.7554 13.7136 13.6300 PRESSURE: 3779600 -466.472 78.1523 205.892 78.1529 -213.364 51.5673 205.892 51.5664 84.65 GPRESSURE: 3779600 -444.501 66.5757 254.873 96.5158 -193.182 130.327 64.2722 -12.2514 113.24 PRESSAVG: 3779600 -10.8286 -8.46237 -2.16036 -8.46244 12.9344 24.4794 -2.1604 24.4794 8.63384 GPRESSAVG: 3779600 -11.0172 -9.68476 -1.80081 -9.8968 13.529 22.8165 -3.71226 23.6263 8.19898 TIMING: 3779600 CPU: 12238.5, 0.00399875/step Wall: 12238.5, 0.00399875/step, 1.35558 hours remaining, 234.269531 MB of memory in use. ENERGY: 3779600 4010.7700 20671.9917 14398.3134 259.9123 -202614.3219 2241.0564 0.0000 0.0000 52162.4671 -108869.8111 299.7784 -161032.2782 -108504.5454 300.1146 -198.3952 -174.8144 762840.9345 3.5799 3.5703 PRESSURE: 3779800 -1.53841 -251.248 -105.117 -251.248 100.821 -179.61 -105.117 -179.609 -16.6141 GPRESSURE: 3779800 38.0272 -290.309 -132.232 -84.7519 107.909 -177.274 25.8134 -140.911 9.35403 PRESSAVG: 3779800 -29.4213 -35.4997 36.9061 -35.4996 19.5283 35.2759 36.9062 35.2759 -1.7288 GPRESSAVG: 3779800 -28.6593 -35.383 35.7596 -35.141 18.5016 36.6708 40.0622 36.1221 -1.68216 TIMING: 3779800 CPU: 12239.3, 0.00399028/step Wall: 12239.3, 0.00399028/step, 1.35248 hours remaining, 234.269531 MB of memory in use. ENERGY: 3779800 4041.0624 20623.3098 14534.5418 251.1508 -203318.5269 2601.3627 0.0000 0.0000 52143.1513 -109123.9481 299.6674 -161267.0993 -108762.5872 300.2523 27.5561 51.7634 760443.3299 -3.8739 -3.9466 PRESSURE: 3780000 49.5192 0.215219 -117.75 0.215448 127.356 39.4936 -117.751 39.4926 385.094 GPRESSURE: 3780000 107.435 -50.5355 -144.261 60.095 213.939 49.3762 -111.589 103.805 332.16 PRESSAVG: 3780000 -13.6376 -47.8678 37.2336 -47.8678 -11.4599 18.3747 37.2336 18.3747 -9.10335 GPRESSAVG: 3780000 -15.1174 -49.9139 37.5149 -47.1048 -10.9145 15.8686 36.1063 18.0637 -8.20489 TIMING: 3780000 CPU: 12240.1, 0.00399003/step Wall: 12240.1, 0.00399003/step, 1.35218 hours remaining, 234.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3780000 3898.2273 20709.1180 14492.8033 276.8506 -202817.0715 2361.7109 0.0000 0.0000 52098.1056 -108980.2558 299.4085 -161078.3614 -108606.4820 300.3266 187.3233 217.8446 760727.7271 -11.4003 -11.4123 PRESSURE: 3780200 259.358 65.6379 153.264 65.6374 54.9751 -79.9529 153.265 -79.9518 357.098 GPRESSURE: 3780200 293.127 37.3299 75.5124 -17.3632 158.559 -57.6516 143.932 -146.218 297.827 PRESSAVG: 3780200 2.12487 -5.41022 2.13564 -5.41023 -48.1865 3.87101 2.1356 3.87101 10.7574 GPRESSAVG: 3780200 3.45808 -4.56186 1.65584 -4.25608 -48.2934 6.30364 2.07482 2.95499 9.27018 TIMING: 3780200 CPU: 12240.9, 0.00398793/step Wall: 12240.9, 0.00398793/step, 1.35124 hours remaining, 234.269531 MB of memory in use. ENERGY: 3780200 3942.5084 20797.8564 14485.1197 248.6447 -203226.2572 2832.3024 0.0000 0.0000 52218.3512 -108701.4744 300.0996 -160919.8256 -108344.9734 300.9055 223.8104 249.8379 761513.7819 -11.7681 -11.8550 LDB: ============= START OF LOAD BALANCING ============== 12253.4 LDB: ============== END OF LOAD BALANCING =============== 12253.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12253.4 LDB: ============= START OF LOAD BALANCING ============== 12253.8 LDB: Largest compute 7068 load 0.034219 is 17.7% of average load 0.193412 LDB: Average compute 0.004434 is 2.3% of average load 0.193412 LDB: TIME 12253.8 LOAD: AVG 0.193412 MAX 0.212868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.129 MB LDB: TIME 12253.8 LOAD: AVG 0.193412 MAX 0.212868 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: TIME 12253.8 LOAD: AVG 0.193412 MAX 0.212868 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: ============== END OF LOAD BALANCING =============== 12253.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12253.8 PRESSURE: 3780400 49.1515 -46.9826 142.412 -46.9822 -60.7455 -89.7666 142.412 -89.7666 -445.408 GPRESSURE: 3780400 30.3508 -66.7175 111.224 -50.9557 8.90366 -42.9314 121.306 73.7279 -407.352 PRESSAVG: 3780400 -8.51421 -34.2862 66.4545 -34.2862 35.0429 30.2751 66.4544 30.275 -3.9147 GPRESSAVG: 3780400 -8.65524 -32.4543 66.6041 -36.303 34.2473 28.7824 65.7396 31.7997 -3.04145 TIMING: 3780400 CPU: 12241.7, 0.00405106/step Wall: 12241.7, 0.00405106/step, 1.37241 hours remaining, 234.511719 MB of memory in use. ENERGY: 3780400 4053.0849 20708.7270 14452.9240 245.9291 -202831.0665 2398.8609 0.0000 0.0000 52487.0430 -108484.4976 301.6438 -160971.5406 -108134.8534 301.3993 -152.3340 -122.6992 762241.6201 7.5380 7.5169 PRESSURE: 3780600 214.446 -337.684 -191.742 -337.684 -215.95 31.4687 -191.741 31.4671 333.284 GPRESSURE: 3780600 168.517 -371.042 -242.733 -347.757 -148.13 -16.4913 -295.568 69.3908 397.185 PRESSAVG: 3780600 51.3001 -55.1458 13.8543 -55.1458 -114.937 65.3718 13.8543 65.3718 -18.6415 GPRESSAVG: 3780600 51.0095 -55.8029 13.6534 -53.8111 -114.295 67.8888 12.7158 65.4707 -18.9725 TIMING: 3780600 CPU: 12242.5, 0.00398253/step Wall: 12242.5, 0.00398253/step, 1.34897 hours remaining, 234.714844 MB of memory in use. ENERGY: 3780600 4025.1015 20661.4280 14443.6093 251.9462 -203069.2134 2648.3760 0.0000 0.0000 52518.3841 -108520.3682 301.8239 -161038.7524 -108151.0754 302.0360 110.5932 139.1907 760635.0543 -27.4260 -27.4192 PRESSURE: 3780800 -31.5042 -85.5071 105.48 -85.5066 -56.6817 112.291 105.481 112.292 41.7077 GPRESSURE: 3780800 18.6878 -94.4585 45.3902 -160.598 4.46427 -60.3708 179.155 150.171 21.1606 PRESSAVG: 3780800 76.9637 -71.7195 -27.8629 -71.7195 -62.2423 35.3823 -27.8629 35.3823 -28.9599 GPRESSAVG: 3780800 76.8752 -71.08 -27.5554 -73.0746 -63.4733 33.1127 -25.3525 34.4939 -27.7942 TIMING: 3780800 CPU: 12243.3, 0.00398888/step Wall: 12243.3, 0.00398888/step, 1.3509 hours remaining, 234.714844 MB of memory in use. ENERGY: 3780800 3953.1731 20698.4312 14530.9412 233.0006 -203246.3602 2607.8478 0.0000 0.0000 52342.1238 -108880.8425 300.8109 -161222.9663 -108529.9614 301.5378 -15.4928 14.7709 760359.7377 -4.7461 -4.7974 PRESSURE: 3781000 253.96 284.025 -116.632 284.025 345.117 85.5131 -116.631 85.5134 -57.0042 GPRESSURE: 3781000 300.236 144.885 -189.407 317.501 459.07 98.0488 -75.3975 73.1564 -105.171 PRESSAVG: 3781000 -6.12726 -9.85391 -11.5598 -9.8539 -13.2776 29.1697 -11.5597 29.1697 7.24616 GPRESSAVG: 3781000 -5.33947 -11.1503 -12.3062 -10.7591 -13.1854 30.5359 -11.6888 27.9192 6.41488 TIMING: 3781000 CPU: 12244.1, 0.0039766/step Wall: 12244.1, 0.0039766/step, 1.34652 hours remaining, 234.714844 MB of memory in use. ENERGY: 3781000 4029.8392 20687.5129 14417.7782 237.0813 -203504.6695 3005.0972 0.0000 0.0000 52188.2134 -108939.1472 299.9264 -161127.3606 -108581.8851 300.7822 180.6906 218.0449 760126.7704 -4.0529 -4.0367 PRESSURE: 3781200 11.501 183.089 210.812 183.088 89.2328 243.684 210.813 243.685 -139.638 GPRESSURE: 3781200 20.6503 76.9142 206.526 141.521 88.5747 135.574 181.791 279.171 -58.9741 PRESSAVG: 3781200 26.1797 -10.9477 -32.8355 -10.9476 -46.0267 13.0457 -32.8355 13.0456 4.05143 GPRESSAVG: 3781200 25.3473 -11.9034 -31.9258 -9.54001 -44.6487 12.6221 -33.3117 12.9289 3.98797 TIMING: 3781200 CPU: 12244.9, 0.00395262/step Wall: 12244.9, 0.00395262/step, 1.33818 hours remaining, 234.972656 MB of memory in use. ENERGY: 3781200 3964.6982 20642.6321 14484.0424 250.8125 -203442.6772 2533.4592 0.0000 0.0000 52394.9670 -109172.0659 301.1146 -161567.0329 -108809.3931 300.1878 -12.9681 16.7503 760931.8158 -5.2652 -5.1045 PRESSURE: 3781400 120.329 -129.702 -201.637 -129.701 163.331 -53.1738 -201.637 -53.1737 -206.333 GPRESSURE: 3781400 153.104 -106.907 -158.829 -65.0728 190.182 -79.105 -73.382 56.166 -185.236 PRESSAVG: 3781400 -36.1844 35.7964 1.02754 35.7964 20.512 -13.5599 1.02752 -13.5599 21.0115 GPRESSAVG: 3781400 -36.298 36.6731 1.73617 33.7844 21.032 -13.1787 1.20657 -12.9518 20.6433 TIMING: 3781400 CPU: 12245.7, 0.00397191/step Wall: 12245.7, 0.00397191/step, 1.34449 hours remaining, 234.972656 MB of memory in use. ENERGY: 3781400 4009.6356 20623.3203 14475.3155 253.5176 -202871.2929 2452.3072 0.0000 0.0000 52086.8131 -108970.3836 299.3436 -161057.1967 -108614.0314 300.2482 25.7756 52.6833 760560.2423 1.7797 1.7925 PRESSURE: 3781600 41.5316 175.859 -148.131 175.859 -170.414 186.516 -148.131 186.515 69.5874 GPRESSURE: 3781600 111.899 254.543 -163.498 223.121 -129.611 135.823 -235.199 224.619 59.1301 PRESSAVG: 3781600 22.8494 36.1889 -7.93023 36.189 -30.8913 29.6147 -7.93019 29.6147 -2.86794 GPRESSAVG: 3781600 22.637 36.2929 -9.68145 36.5059 -31.8621 28.7027 -8.64291 28.8368 -1.69732 TIMING: 3781600 CPU: 12246.4, 0.00396782/step Wall: 12246.4, 0.00396782/step, 1.34289 hours remaining, 234.972656 MB of memory in use. ENERGY: 3781600 3942.1779 20432.1158 14461.0050 230.1552 -203348.9618 2584.1414 0.0000 0.0000 52210.2122 -109489.1542 300.0528 -161699.3664 -109122.1904 299.7017 -19.7650 13.8062 761930.6037 -3.6366 -3.6408 PRESSURE: 3781800 120.048 -73.577 -123.372 -73.5763 -178.64 -125.979 -123.373 -125.979 125.162 GPRESSURE: 3781800 140.239 56.8134 -52.6997 -30.5049 -133.698 -53.4146 -80.7169 -96.0507 143.562 PRESSAVG: 3781800 29.8443 12.5754 -5.16058 12.5755 -9.43373 27.2466 -5.16056 27.2467 15.7504 GPRESSAVG: 3781800 30.6791 14.9062 -5.5621 12.9826 -10.0742 26.8812 -1.90091 26.3685 15.2747 TIMING: 3781800 CPU: 12247.2, 0.00398263/step Wall: 12247.2, 0.00398263/step, 1.34768 hours remaining, 234.972656 MB of memory in use. ENERGY: 3781800 4002.8616 20431.7553 14550.3449 251.5725 -203621.8521 2550.4773 0.0000 0.0000 52279.6695 -109555.1711 300.4520 -161834.8406 -109175.6161 299.5326 22.1903 50.0344 760184.4307 12.0536 11.9599 PRESSURE: 3782000 -173.916 -111.1 -193.573 -111.1 -256.018 122.608 -193.574 122.608 -55.8159 GPRESSURE: 3782000 -149.415 -41.659 -94.4203 -173.264 -248.791 96.3483 -199.462 168.296 -3.00995 PRESSAVG: 3782000 27.6856 -32.3938 5.52415 -32.3939 -29.9885 8.75238 5.52418 8.7523 -8.76782 GPRESSAVG: 3782000 27.2511 -33.8639 5.73821 -32.9673 -29.1939 8.53219 4.38141 9.83514 -9.3215 TIMING: 3782000 CPU: 12248, 0.00400485/step Wall: 12248, 0.00400485/step, 1.35497 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3782000 3950.8606 20625.2139 14527.5197 255.6782 -203372.3215 2362.8901 0.0000 0.0000 52207.9220 -109442.2369 300.0396 -161650.1590 -109088.4693 299.5269 -161.9169 -133.7387 761525.8298 -3.6902 -3.7548 PRESSURE: 3782200 433.061 20.4489 240.984 20.4487 111.258 -362.505 240.984 -362.504 19.0636 GPRESSURE: 3782200 473.133 -10.7221 297.965 166.916 172.289 -343.06 106.447 -442.721 9.77645 PRESSAVG: 3782200 32.9263 23.6767 27.5953 23.6767 -27.831 -44.4236 27.5953 -44.4236 -1.64418 GPRESSAVG: 3782200 34.3419 22.0301 27.3113 25.4561 -29.2607 -43.6013 26.4052 -44.7641 -1.27429 TIMING: 3782200 CPU: 12248.8, 0.00398864/step Wall: 12248.8, 0.00398864/step, 1.34927 hours remaining, 234.972656 MB of memory in use. ENERGY: 3782200 3962.7078 20549.9613 14471.5690 243.9532 -203543.1999 2810.9326 0.0000 0.0000 52007.4975 -109496.5784 298.8878 -161504.0759 -109128.0968 299.5552 187.7945 218.3996 761004.1427 1.1504 1.2690 PRESSURE: 3782400 -86.0972 209.245 -125.335 209.245 131.783 -197.879 -125.335 -197.88 -333.923 GPRESSURE: 3782400 -76.4893 61.088 -212.28 198.248 186.248 -178.289 -123.041 -67.8896 -314.655 PRESSAVG: 3782400 -6.22969 1.58226 -31.9604 1.5822 -35.9065 -64.6272 -31.9604 -64.6273 -4.31858 GPRESSAVG: 3782400 -5.98949 1.66372 -31.9907 0.312907 -35.9998 -63.7685 -30.4134 -63.9779 -4.73111 TIMING: 3782400 CPU: 12249.6, 0.00400586/step Wall: 12249.6, 0.00400586/step, 1.35487 hours remaining, 234.972656 MB of memory in use. ENERGY: 3782400 3970.2158 20601.1634 14514.2337 236.3616 -203296.3659 2359.8649 0.0000 0.0000 51957.7907 -109656.7358 298.6021 -161614.5266 -109294.9651 298.9866 -96.0789 -68.2989 760538.5954 -15.4849 -15.5735 PRESSURE: 3782600 177.833 1.67981 247.255 1.67995 -296.436 92.7531 247.257 92.7546 271.28 GPRESSURE: 3782600 125.657 102.998 277.998 22.1617 -167.768 45.341 180.901 -1.35387 257.033 PRESSAVG: 3782600 49.204 55.1245 -43.047 55.1245 -79.1079 28.8665 -43.047 28.8665 0.380246 GPRESSAVG: 3782600 49.0159 55.492 -41.0843 54.8353 -78.4621 28.6268 -46.5534 28.8112 -0.408257 TIMING: 3782600 CPU: 12250.4, 0.00401598/step Wall: 12250.4, 0.00401598/step, 1.35807 hours remaining, 234.972656 MB of memory in use. ENERGY: 3782600 3994.2667 20704.2924 14452.3218 231.0276 -203503.0379 2465.7263 0.0000 0.0000 52054.4733 -109600.9299 299.1578 -161655.4032 -109232.5759 299.5366 50.8925 71.6406 758617.9708 -9.8412 -9.9515 PRESSURE: 3782800 50.1751 114.899 -142.446 114.898 -111.997 -108.986 -142.446 -108.986 -164.719 GPRESSURE: 3782800 93.4342 99.5057 15.9115 114.744 -70.2252 -103.61 -256.554 -187.738 -165.665 PRESSAVG: 3782800 19.0747 32.6432 44.3893 32.6432 -13.5067 -38.3432 44.3893 -38.3433 6.23162 GPRESSAVG: 3782800 19.4793 32.9885 43.5579 34.4592 -14.6683 -38.2056 45.1786 -37.8033 6.95207 TIMING: 3782800 CPU: 12251.3, 0.00407577/step Wall: 12251.3, 0.00407577/step, 1.37806 hours remaining, 234.972656 MB of memory in use. ENERGY: 3782800 4026.7662 20566.8745 14534.8508 251.0243 -203377.8089 2411.0677 0.0000 0.0000 52040.3862 -109546.8392 299.0768 -161587.2254 -109189.4826 299.2873 -75.5135 -47.4853 760827.9985 3.9332 3.9210 PRESSURE: 3783000 -226.103 38.2299 -132.758 38.2291 -85.8356 105.431 -132.759 105.43 -106.651 GPRESSURE: 3783000 -184.3 -95.6989 -86.8018 24.622 4.29238 231.12 -209.367 -22.6237 -144.811 PRESSAVG: 3783000 -6.03344 11.3099 -28.6532 11.31 1.00779 0.170987 -28.6532 0.170901 13.2987 GPRESSAVG: 3783000 -8.22764 11.2804 -29.5289 10.8258 1.95091 0.541134 -25.6125 -0.838551 14.5149 TIMING: 3783000 CPU: 12252.1, 0.00399675/step Wall: 12252.1, 0.00399675/step, 1.35112 hours remaining, 234.972656 MB of memory in use. ENERGY: 3783000 3919.4917 20460.9238 14458.0608 243.2190 -203524.9128 2501.7077 0.0000 0.0000 52066.8031 -109874.7066 299.2286 -161941.5098 -109506.2748 298.7775 -139.5300 -108.2730 759818.3355 2.7577 2.7461 PRESSURE: 3783200 -63.3631 82.9864 -80.9953 82.987 44.673 56.1052 -80.9953 56.1045 -282.691 GPRESSURE: 3783200 43.5553 36.1824 -178.805 29.2209 -12.3177 46.4356 -14.5777 113.786 -251.386 PRESSAVG: 3783200 -37.9515 -54.2248 7.44667 -54.2248 58.1594 37.2869 7.44668 37.287 -0.639958 GPRESSAVG: 3783200 -37.3934 -54.9578 8.05594 -53.7343 57.6193 37.1613 4.71258 37.2093 -0.986601 TIMING: 3783200 CPU: 12252.9, 0.00399559/step Wall: 12252.9, 0.00399559/step, 1.35051 hours remaining, 234.972656 MB of memory in use. ENERGY: 3783200 3915.6875 20582.1190 14509.8674 237.9271 -203217.1916 2216.3721 0.0000 0.0000 51936.2338 -109818.9848 298.4782 -161755.2186 -109461.7229 298.3454 -100.4605 -73.3829 759045.6500 6.5226 6.4131 PRESSURE: 3783400 -131.256 -14.1645 -53.7276 -14.1643 -53.775 -113.031 -53.7278 -113.031 18.9926 GPRESSURE: 3783400 -101.149 -39.5292 -24.1691 20.7129 20.609 -101.284 -20.7838 -58.3724 13.17 PRESSAVG: 3783400 -10.8166 -33.3198 6.58321 -33.3198 19.9685 23.6279 6.58319 23.6279 22.335 GPRESSAVG: 3783400 -10.4858 -30.5074 8.27344 -34.2774 19.7196 22.744 8.36976 24.7854 22.1658 TIMING: 3783400 CPU: 12253.7, 0.00400865/step Wall: 12253.7, 0.00400865/step, 1.3547 hours remaining, 234.972656 MB of memory in use. ENERGY: 3783400 3991.4622 20528.2040 14488.9907 250.1065 -203271.6333 2160.5125 0.0000 0.0000 51910.7073 -109941.6501 298.3315 -161852.3574 -109578.9806 298.3652 -55.3463 -22.4566 760051.7667 10.4956 10.4665 PRESSURE: 3783600 -551.459 -4.49849 -121.43 -4.49825 -43.6126 41.4684 -121.429 41.4689 252.556 GPRESSURE: 3783600 -502.358 -32.3812 -84.4583 8.7226 3.5296 20.7904 -184.712 114.57 244.041 PRESSAVG: 3783600 -16.1506 -36.5245 -24.9084 -36.5246 7.95369 -6.6398 -24.9083 -6.63991 8.28584 GPRESSAVG: 3783600 -16.0927 -41.0009 -25.872 -34.9233 8.86354 -7.56055 -26.8322 -6.69263 7.46981 TIMING: 3783600 CPU: 12254.5, 0.00402709/step Wall: 12254.5, 0.00402709/step, 1.36071 hours remaining, 234.972656 MB of memory in use. ENERGY: 3783600 3972.3072 20522.2371 14467.1922 221.8324 -203707.1372 2696.4480 0.0000 0.0000 51991.2664 -109835.8539 298.7945 -161827.1203 -109472.7163 298.3814 -114.1718 -84.9292 760712.9184 0.0296 0.0802 PRESSURE: 3783800 70.3372 -187.464 84.6187 -187.465 251.316 136.843 84.6179 136.844 -26.4341 GPRESSURE: 3783800 164.47 -163.47 120.221 -133.56 209.404 143.641 108.963 146.865 10.5631 PRESSAVG: 3783800 25.2716 -77.2957 8.61564 -77.2956 -28.47 -9.42277 8.61567 -9.42282 22.099 GPRESSAVG: 3783800 24.5671 -75.029 7.63211 -79.0792 -28.0931 -8.08648 10.4035 -10.9006 22.7613 TIMING: 3783800 CPU: 12255.3, 0.00399501/step Wall: 12255.3, 0.00399501/step, 1.34965 hours remaining, 234.972656 MB of memory in use. ENERGY: 3783800 3985.8086 20398.8659 14511.1947 248.1627 -203204.9829 2344.7504 0.0000 0.0000 51954.5200 -109761.6806 298.5833 -161716.2005 -109394.1474 298.2624 98.4065 128.1460 760410.0455 6.3002 6.4118 PRESSURE: 3784000 -30.1114 -7.53515 -151.513 -7.53559 -469.294 -12.8126 -151.514 -12.813 -301.546 GPRESSURE: 3784000 -41.6031 -77.2354 -129.836 -56.9321 -393.662 -45.2097 -194.232 -84.2814 -313.153 PRESSAVG: 3784000 23.4866 -16.9709 14.624 -16.9709 -14.9297 -29.3113 14.624 -29.3112 4.99335 GPRESSAVG: 3784000 23.6325 -16.3204 15.7972 -17.5548 -15.3101 -28.865 14.644 -29.3517 5.12241 TIMING: 3784000 CPU: 12256.1, 0.00398295/step Wall: 12256.1, 0.00398295/step, 1.34535 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3784000 3978.0967 20555.9641 14541.7748 234.2040 -203117.3014 2297.7441 0.0000 0.0000 51874.9757 -109634.5420 298.1262 -161509.5177 -109279.1743 298.6633 -266.9841 -249.4724 761230.8755 4.5167 4.4816 PRESSURE: 3784200 -161.534 57.6563 -114.987 57.6553 -57.4954 -207.655 -114.987 -207.655 8.2968 GPRESSURE: 3784200 -113.785 89.6797 -36.7509 61.2031 16.2057 -128.664 -43.6577 -115.572 -30.5262 PRESSAVG: 3784200 68.2579 -54.8756 11.6937 -54.8756 -22.8689 -12.1843 11.6938 -12.1843 9.40701 GPRESSAVG: 3784200 67.4583 -54.6085 10.7354 -53.4797 -21.8599 -12.5574 11.6281 -10.9958 9.03553 TIMING: 3784200 CPU: 12256.9, 0.00398178/step Wall: 12256.9, 0.00398178/step, 1.34474 hours remaining, 234.972656 MB of memory in use. ENERGY: 3784200 4018.7428 20620.9140 14564.1248 251.2463 -203355.8759 2554.3009 0.0000 0.0000 51782.1870 -109564.3601 297.5929 -161346.5471 -109206.4072 298.6623 -70.2443 -42.7019 760065.5398 18.2653 18.2113 LDB: ============= START OF LOAD BALANCING ============== 12269.4 LDB: ============== END OF LOAD BALANCING =============== 12269.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12269.4 LDB: ============= START OF LOAD BALANCING ============== 12269.8 LDB: Largest compute 7033 load 0.032401 is 16.8% of average load 0.193332 LDB: Average compute 0.004452 is 2.3% of average load 0.193332 LDB: TIME 12269.8 LOAD: AVG 0.193332 MAX 0.21192 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.609 MB LDB: TIME 12269.8 LOAD: AVG 0.193332 MAX 0.21192 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: TIME 12269.8 LOAD: AVG 0.193332 MAX 0.21192 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: ============== END OF LOAD BALANCING =============== 12269.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12269.8 PRESSURE: 3784400 -361.122 47.0577 -7.7933 47.0575 -430.021 -184.567 -7.79264 -184.568 -126.339 GPRESSURE: 3784400 -265.908 133.809 -12.8255 26.3979 -368.661 -198.604 24.5184 -141.624 -204.415 PRESSAVG: 3784400 26.9785 6.39836 -28.7635 6.39839 -45.2818 2.22548 -28.7635 2.22555 -17.4014 GPRESSAVG: 3784400 27.8925 5.97509 -28.9401 5.48092 -45.2978 2.12114 -27.9744 3.1626 -18.6188 TIMING: 3784400 CPU: 12257.7, 0.00406904/step Wall: 12257.7, 0.00406903/step, 1.37398 hours remaining, 234.140625 MB of memory in use. ENERGY: 3784400 4005.6441 20442.1965 14513.5323 269.0231 -203222.3095 2439.1674 0.0000 0.0000 51865.1931 -109687.5530 298.0700 -161552.7461 -109318.6470 298.6748 -305.8271 -279.6614 760998.8819 -11.9016 -12.0080 PRESSURE: 3784600 69.7445 63.2487 -41.433 63.2488 230.332 118.479 -41.4334 118.479 -333.987 GPRESSURE: 3784600 160.862 101.931 -27.568 40.0498 192.404 114.62 68.755 71.1458 -301.128 PRESSAVG: 3784600 -9.31875 -4.0014 5.11101 -4.00141 -42.9326 23.3566 5.11101 23.3566 14.6363 GPRESSAVG: 3784600 -9.94706 -3.81229 6.30792 -2.56245 -44.7478 22.8184 3.76058 22.9087 17.1869 TIMING: 3784600 CPU: 12258.5, 0.00402109/step Wall: 12258.5, 0.00402109/step, 1.35757 hours remaining, 234.343750 MB of memory in use. ENERGY: 3784600 3949.6909 20619.6534 14420.4852 240.5406 -202861.0577 2107.6337 0.0000 0.0000 52050.1890 -109472.8648 299.1332 -161523.0538 -109115.5560 299.2000 -11.3033 17.3792 760982.5905 -12.5383 -12.5026 PRESSURE: 3784800 -188.921 -360.634 -52.3175 -360.634 85.7243 -3.44283 -52.3174 -3.44361 245.278 GPRESSURE: 3784800 -123.717 -263.544 -67.5051 -157.982 148.651 15.5082 -23.3787 -47.9683 179.052 PRESSAVG: 3784800 41.9193 -65.1897 73.3773 -65.1897 -12.245 -22.2397 73.3773 -22.2398 16.1513 GPRESSAVG: 3784800 41.8645 -64.3095 73.867 -65.6658 -12.058 -23.4601 74.6105 -22.6598 15.3326 TIMING: 3784800 CPU: 12259.3, 0.0039917/step Wall: 12259.3, 0.0039917/step, 1.34742 hours remaining, 234.656250 MB of memory in use. ENERGY: 3784800 3961.6281 20493.3408 14429.7979 259.0854 -203429.8774 2647.4943 0.0000 0.0000 52243.6808 -109394.8502 300.2452 -161638.5311 -109027.3149 299.7487 47.3605 67.9951 763017.5999 15.2752 15.0464 PRESSURE: 3785000 173.148 -20.1707 -246.812 -20.1701 151.031 -115.238 -246.812 -115.237 -94.8867 GPRESSURE: 3785000 225.408 -50.1596 -194.199 -61.7346 157.747 -117.948 -164.722 -20.4151 -91.4652 PRESSAVG: 3785000 54.7083 -50.8951 -29.602 -50.895 -65.1645 -70.4487 -29.6019 -70.4488 -27.4735 GPRESSAVG: 3785000 55.0598 -53.7639 -31.0734 -50.8691 -65.8492 -69.4473 -31.4818 -69.5844 -27.7113 TIMING: 3785000 CPU: 12260.1, 0.00398011/step Wall: 12260.1, 0.00398011/step, 1.34329 hours remaining, 234.656250 MB of memory in use. ENERGY: 3785000 3868.7640 20351.8524 14480.7834 251.2468 -203656.8075 3014.5558 0.0000 0.0000 52201.3865 -109488.2186 300.0021 -161689.6052 -109117.9290 299.2684 76.4306 97.2301 762923.4083 -12.6432 -12.8336 PRESSURE: 3785200 45.826 -49.8284 155.481 -49.8288 -160.756 268.742 155.482 268.742 247.528 GPRESSURE: 3785200 50.8437 -109.863 130.354 -59.1284 -60.4996 224.892 101.397 98.6947 243.159 PRESSAVG: 3785200 34.0054 -5.24914 -14.9298 -5.24916 -49.5808 43.7562 -14.9298 43.7562 -17.2945 GPRESSAVG: 3785200 33.5293 -3.23544 -14.2198 -5.83543 -49.0515 45.3662 -14.781 41.7869 -17.2531 TIMING: 3785200 CPU: 12260.9, 0.00398275/step Wall: 12260.9, 0.00398275/step, 1.34396 hours remaining, 234.667969 MB of memory in use. ENERGY: 3785200 3939.8057 20368.1326 14509.9238 251.6750 -203310.2376 2695.1034 0.0000 0.0000 51942.3312 -109603.2659 298.5133 -161545.5972 -109220.0335 299.1340 44.1994 77.8342 763384.7419 -10.9566 -10.9251 PRESSURE: 3785400 -7.24332 -10.3016 64.9357 -10.3016 10.0279 35.4855 64.9352 35.4856 322.878 GPRESSURE: 3785400 3.55047 -115.366 165.454 30.7722 116.018 -49.3842 -50.5298 85.256 298.327 PRESSAVG: 3785400 15.1584 15.2305 40.1155 15.2305 -38.8018 38.7009 40.1155 38.7008 6.96077 GPRESSAVG: 3785400 14.3634 12.9676 39.8457 16.3854 -39.2442 37.3858 41.1569 40.9593 7.9932 TIMING: 3785400 CPU: 12261.7, 0.0039875/step Wall: 12261.7, 0.0039875/step, 1.34534 hours remaining, 234.667969 MB of memory in use. ENERGY: 3785400 3929.7564 20348.0819 14467.9951 235.3777 -203397.7643 2720.4714 0.0000 0.0000 51996.4919 -109699.5899 298.8246 -161696.0818 -109338.8522 298.7629 108.5541 139.2986 762165.0920 -5.5609 -5.6292 PRESSURE: 3785600 -100.934 8.96127 175.526 8.96119 -23.6188 -54.5 175.527 -54.5002 -167.649 GPRESSURE: 3785600 -31.4976 -65.1803 78.3207 46.8278 -20.1046 -43.6132 91.87 62.6463 -162.175 PRESSAVG: 3785600 44.5102 14.4897 15.7458 14.4897 -62.3337 -37.0135 15.7459 -37.0135 6.75402 GPRESSAVG: 3785600 44.6844 15.8475 15.7747 13.5334 -62.7204 -36.6361 16.2209 -38.3279 6.71048 TIMING: 3785600 CPU: 12262.5, 0.0039834/step Wall: 12262.5, 0.0039834/step, 1.34373 hours remaining, 234.667969 MB of memory in use. ENERGY: 3785600 3919.4076 20503.3439 14488.7534 243.5736 -203031.8422 2317.8212 0.0000 0.0000 52019.0259 -109539.9166 298.9541 -161558.9425 -109186.5798 298.3954 -97.4006 -71.2590 762374.5971 -3.6898 -3.7752 PRESSURE: 3785800 107.161 -74.6312 -79.2108 -74.6308 232.418 -87.6977 -79.2099 -87.6992 5.97674 GPRESSURE: 3785800 142.519 -159.444 -33.1856 -33.5067 259.823 -99.4537 -107.537 26.7634 24.8127 PRESSAVG: 3785800 28.0121 -21.8678 33.4844 -21.8678 -54.6637 -32.2281 33.4845 -32.2281 14.6921 GPRESSAVG: 3785800 28.6452 -22.689 34.17 -22.5715 -53.9911 -31.7282 30.8931 -31.8358 13.0782 TIMING: 3785800 CPU: 12263.3, 0.00397509/step Wall: 12263.3, 0.00397509/step, 1.34071 hours remaining, 234.667969 MB of memory in use. ENERGY: 3785800 3962.9820 20438.2207 14500.0201 245.5930 -203363.8528 2506.0410 0.0000 0.0000 52333.3870 -109377.6090 300.7607 -161710.9960 -109013.1058 299.3015 115.1854 142.3850 761883.1531 -3.9865 -4.0892 PRESSURE: 3786000 278.292 -117.372 134.854 -117.372 -157.532 -135.517 134.854 -135.517 -122.113 GPRESSURE: 3786000 288.251 -84.0419 172.552 -66.0974 -100.147 -162.624 172.459 -124.112 -93.7064 PRESSAVG: 3786000 62.0573 -27.4903 51.3006 -27.4904 -31.1484 1.3517 51.3006 1.35182 2.92443 GPRESSAVG: 3786000 60.8896 -27.3356 49.4857 -27.953 -31.6256 0.225557 53.4892 1.69934 4.29116 TIMING: 3786000 CPU: 12264, 0.0039505/step Wall: 12264, 0.0039505/step, 1.3322 hours remaining, 234.667969 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: 3786000 4029.9780 20569.5105 14543.8366 248.2656 -202988.3167 2396.2646 0.0000 0.0000 51885.8094 -109314.6519 298.1885 -161200.4613 -108958.0921 299.4498 -0.4507 31.4659 761834.9562 11.2778 11.1851 PRESSURE: 3786200 278.634 -223.013 -117.925 -223.014 -310.749 101.87 -117.925 101.871 326.811 GPRESSURE: 3786200 224.455 -123.816 -67.614 -103.6 -161.678 118.045 -77.1209 108.933 323.503 PRESSAVG: 3786200 37.4914 -5.13164 2.22034 -5.13161 -4.7379 0.504828 2.22028 0.50478 -10.4859 GPRESSAVG: 3786200 36.7741 -2.24096 4.15385 -5.12692 -4.1015 -0.562751 0.69688 -1.80871 -10.4855 TIMING: 3786200 CPU: 12264.9, 0.00401713/step Wall: 12264.9, 0.00401713/step, 1.35444 hours remaining, 234.667969 MB of memory in use. ENERGY: 3786200 4010.1266 20537.7859 14463.1126 266.4557 -203278.8375 2486.6580 0.0000 0.0000 51912.7740 -109601.9247 298.3434 -161514.6987 -109249.1828 298.6578 98.2319 128.7600 761508.5861 7.4225 7.3957 PRESSURE: 3786400 -214.352 106.843 -119.847 106.843 233.717 79.3848 -119.847 79.3849 245.676 GPRESSURE: 3786400 -59.5019 59.0936 -89.5508 81.9948 176.062 77.1438 92.7424 130.538 241.514 PRESSAVG: 3786400 -29.6252 -34.5521 -1.79506 -34.5522 39.917 -1.10325 -1.79502 -1.10331 10.2693 GPRESSAVG: 3786400 -27.6538 -36.5411 -2.96177 -33.946 38.6865 0.144728 -0.76566 0.305966 9.85799 TIMING: 3786400 CPU: 12265.7, 0.0040122/step Wall: 12265.7, 0.0040122/step, 1.35256 hours remaining, 234.667969 MB of memory in use. ENERGY: 3786400 3883.2476 20635.3285 14496.4297 242.1924 -203562.2198 2635.7094 0.0000 0.0000 52036.5465 -109632.7656 299.0547 -161669.3121 -109278.1460 298.9984 88.3469 119.3580 761640.9665 6.8537 6.9635 PRESSURE: 3786600 -27.6269 -54.0744 67.6075 -54.074 325.164 14.3821 67.6074 14.3816 16.0287 GPRESSURE: 3786600 -87.804 -239.663 -71.8685 -30.9008 339.893 104.289 90.7086 57.0405 146.235 PRESSAVG: 3786600 -21.2469 -24.1481 55.2494 -24.1481 -22.8367 -26.055 55.2493 -26.0551 -12.7364 GPRESSAVG: 3786600 -20.4593 -23.3547 56.4206 -22.8739 -23.0217 -24.8133 54.2196 -26.4378 -13.0791 TIMING: 3786600 CPU: 12266.5, 0.00400078/step Wall: 12266.5, 0.00400078/step, 1.34848 hours remaining, 234.738281 MB of memory in use. ENERGY: 3786600 3980.7881 20414.1777 14564.4481 247.1876 -203734.8929 2852.3119 0.0000 0.0000 52117.5847 -109558.3948 299.5205 -161675.9795 -109193.8056 299.1855 104.5220 132.7748 762528.0923 -18.9400 -18.8534 PRESSURE: 3786800 291.016 -202.076 357.888 -202.075 -181.104 151.9 357.888 151.901 -37.0078 GPRESSURE: 3786800 352.561 -192.129 361.917 -230.601 -182.002 187.012 328.61 200.417 -2.48797 PRESSAVG: 3786800 -20.5742 -62.4074 67.8348 -62.4074 14.1604 -58.4963 67.8347 -58.4963 -16.3243 GPRESSAVG: 3786800 -22.4359 -63.7064 66.8229 -63.1425 15.6217 -59.2978 68.6453 -58.8408 -15.8594 TIMING: 3786800 CPU: 12267.3, 0.00400525/step Wall: 12267.3, 0.00400525/step, 1.34977 hours remaining, 234.738281 MB of memory in use. ENERGY: 3786800 3996.1106 20429.3874 14492.1938 230.9514 -203482.6102 2669.3194 0.0000 0.0000 51864.6738 -109799.9738 298.0670 -161664.6475 -109426.8384 298.3019 24.3017 56.0238 762406.8607 -7.5794 -7.5579 PRESSURE: 3787000 30.667 -115.801 -254.606 -115.8 -32.0568 135.808 -254.606 135.808 -273.462 GPRESSURE: 3787000 3.71937 -137.447 -272.696 -137.368 2.88012 106.873 -140.329 43.09 -218.261 PRESSAVG: 3787000 -23.306 -80.2829 41.3547 -80.2828 7.65361 18.8704 41.3547 18.8703 4.46879 GPRESSAVG: 3787000 -23.9147 -78.6383 41.157 -81.3281 7.81814 19.1272 43.5296 18.4765 4.78138 TIMING: 3787000 CPU: 12268.1, 0.00399354/step Wall: 12268.1, 0.00399354/step, 1.3456 hours remaining, 234.738281 MB of memory in use. ENERGY: 3787000 3963.1342 20594.8333 14472.3467 239.7091 -203247.5976 2456.1464 0.0000 0.0000 51845.0813 -109676.3465 297.9544 -161521.4278 -109320.9694 298.1839 -91.6174 -70.5537 762325.7801 -3.7279 -3.7717 PRESSURE: 3787200 -483.179 130.592 46.3433 130.592 -420.761 107.066 46.3427 107.067 154.764 GPRESSURE: 3787200 -406.828 143.818 26.3751 195.399 -441.901 114.148 -0.237763 165.156 177.541 PRESSAVG: 3787200 -10.4448 -34.8237 34.9656 -34.8236 30.9592 33.573 34.9656 33.5728 -7.40635 GPRESSAVG: 3787200 -9.70636 -35.002 36.7595 -32.5898 30.2018 32.4727 33.6205 35.2381 -7.19553 TIMING: 3787200 CPU: 12268.9, 0.003998/step Wall: 12268.9, 0.003998/step, 1.34688 hours remaining, 234.738281 MB of memory in use. ENERGY: 3787200 4036.3986 20447.8537 14471.1942 236.0964 -203185.1236 2347.9957 0.0000 0.0000 51752.2881 -109893.2968 297.4211 -161645.5850 -109538.9355 298.5075 -249.7252 -223.7292 762117.9517 4.3693 4.4333 PRESSURE: 3787400 -368.744 40.7293 -153.395 40.7289 -180.759 -44.287 -153.395 -44.2879 -49.8084 GPRESSURE: 3787400 -428.783 -12.694 -130.917 -65.8334 -57.1 -21.5117 -59.949 -70.3026 -18.3387 PRESSAVG: 3787400 -8.38118 25.163 39.4872 25.163 12.8857 -16.9599 39.4873 -16.9599 -32.9034 GPRESSAVG: 3787400 -8.49256 25.2396 39.1851 22.8251 13.35 -15.6333 40.6687 -18.0697 -33.1281 TIMING: 3787400 CPU: 12269.7, 0.00402775/step Wall: 12269.7, 0.00402775/step, 1.35668 hours remaining, 234.738281 MB of memory in use. ENERGY: 3787400 3987.2237 20482.9712 14465.0998 237.8896 -203348.0458 2495.1786 0.0000 0.0000 51823.6908 -109855.9921 297.8315 -161679.6829 -109503.9151 298.2854 -199.7704 -168.0737 760192.4998 -9.4663 -9.4236 PRESSURE: 3787600 -97.9876 -144.803 -13.6851 -144.803 -578.161 -45.5587 -13.6853 -45.558 50.4936 GPRESSURE: 3787600 -99.9976 -185.09 -30.8093 -72.1173 -507.03 -149.801 -202.239 -53.6709 84.9009 PRESSAVG: 3787600 46.6343 -40.9404 -10.7264 -40.9403 -41.6919 -3.35418 -10.7264 -3.35418 -3.9345 GPRESSAVG: 3787600 46.7359 -41.434 -10.3602 -37.8244 -40.8488 -3.45732 -13.0085 -2.70647 -4.96697 TIMING: 3787600 CPU: 12270.5, 0.00399257/step Wall: 12270.5, 0.00399257/step, 1.34461 hours remaining, 234.738281 MB of memory in use. ENERGY: 3787600 3992.9510 20488.3645 14460.6303 251.8842 -203562.6757 2480.3666 0.0000 0.0000 52049.9896 -109838.4895 299.1320 -161888.4791 -109476.5028 298.1785 -208.5517 -174.0422 762018.0973 0.3360 0.3067 PRESSURE: 3787800 -52.9843 -101.329 -43.8759 -101.329 228.666 94.6315 -43.8754 94.6317 -18.7116 GPRESSURE: 3787800 28.0338 -136.49 -139.346 -112.699 162.638 28.218 -127.537 -10.3186 71.6382 PRESSAVG: 3787800 -27.2495 -55.4489 -31.1521 -55.4489 43.5418 48.8996 -31.152 48.8996 -22.3588 GPRESSAVG: 3787800 -26.958 -55.5579 -33.0457 -58.2859 43.2627 46.6726 -29.1085 50.5901 -22.0508 TIMING: 3787800 CPU: 12271.3, 0.00398431/step Wall: 12271.3, 0.00398431/step, 1.34161 hours remaining, 234.738281 MB of memory in use. ENERGY: 3787800 3942.0281 20333.9797 14505.6849 222.4517 -203009.9736 2422.6822 0.0000 0.0000 51751.6129 -109831.5341 297.4172 -161583.1470 -109461.2888 298.3188 52.3233 87.4365 761386.5422 -2.0221 -1.9154 PRESSURE: 3788000 -474.787 -15.5688 -78.2772 -15.5685 -15.3888 -54.183 -78.2766 -54.1835 -37.2248 GPRESSURE: 3788000 -401.243 -53.6778 16.0199 100.953 33.8856 -3.34091 113.271 -68.433 -73.2806 PRESSAVG: 3788000 24.1821 -52.0741 51.9509 -52.0741 20.6854 -6.91252 51.9509 -6.91241 -3.46122 GPRESSAVG: 3788000 24.2511 -54.3123 53.6496 -50.499 19.9164 -6.92958 49.9486 -5.34673 -3.28466 TIMING: 3788000 CPU: 12272, 0.00397543/step Wall: 12272, 0.00397543/step, 1.3384 hours remaining, 234.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3788000 3984.6832 20445.8500 14463.8086 258.3746 -203449.5542 2470.4253 0.0000 0.0000 51802.8890 -110023.5235 297.7119 -161826.4125 -109659.0708 298.3707 -175.8001 -146.8793 761151.7014 13.8021 13.6276 PRESSURE: 3788200 105.712 -117.937 114.068 -117.938 -351.324 81.3592 114.067 81.3609 1.35116 GPRESSURE: 3788200 123.287 -156.668 77.9425 -149.048 -297.272 78.5313 52.8813 162.013 6.90397 PRESSAVG: 3788200 42.4724 12.3832 71.4555 12.3832 -70.8979 -39.3156 71.4555 -39.3158 -5.50357 GPRESSAVG: 3788200 40.8835 13.8555 69.5992 12.3145 -70.1144 -37.4314 73.5068 -42.4082 -4.45017 TIMING: 3788200 CPU: 12272.8, 0.00397939/step Wall: 12272.8, 0.00397939/step, 1.33951 hours remaining, 234.738281 MB of memory in use. ENERGY: 3788200 3989.5098 20469.1436 14474.8796 258.8326 -203897.2870 2963.6089 0.0000 0.0000 51636.0029 -110105.3096 296.7528 -161741.3125 -109749.8444 297.7355 -81.4202 -55.6937 760559.7830 -11.3097 -11.2270 LDB: ============= START OF LOAD BALANCING ============== 12285.3 LDB: ============== END OF LOAD BALANCING =============== 12285.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12285.4 LDB: ============= START OF LOAD BALANCING ============== 12285.7 LDB: Largest compute 7058 load 0.031813 is 16.5% of average load 0.193364 LDB: Average compute 0.004452 is 2.3% of average load 0.193364 LDB: TIME 12285.7 LOAD: AVG 0.193364 MAX 0.212331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.34 MB LDB: TIME 12285.7 LOAD: AVG 0.193364 MAX 0.212331 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: TIME 12285.7 LOAD: AVG 0.193364 MAX 0.212331 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12285.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12285.8 PRESSURE: 3788400 -94.4643 -262.737 -298.545 -262.738 89.8754 -232.166 -298.545 -232.165 -342.911 GPRESSURE: 3788400 -126.328 -111.944 -206.812 -200.993 195.725 -134.684 -216.872 -331.304 -326.565 PRESSAVG: 3788400 20.3568 -32.6721 23.3437 -32.6721 -65.6068 -14.1234 23.3437 -14.1234 14.4232 GPRESSAVG: 3788400 20.1803 -30.7747 23.4901 -33.0378 -65.232 -14.906 23.3967 -14.2368 14.1471 TIMING: 3788400 CPU: 12273.7, 0.004028/step Wall: 12273.7, 0.004028/step, 1.35565 hours remaining, 234.332031 MB of memory in use. ENERGY: 3788400 4023.0979 20449.8203 14456.3454 235.3141 -203344.4279 2553.2620 0.0000 0.0000 51610.5031 -110016.0851 296.6063 -161626.5882 -109649.5366 297.7254 -115.8333 -85.7225 760960.0646 -10.2756 -10.3015 PRESSURE: 3788600 10.1095 -143.097 66.3664 -143.096 -440.553 -117.607 66.3666 -117.607 126.31 GPRESSURE: 3788600 24.2734 -122.104 56.8672 -118.032 -422.34 -145.381 55.667 -132.455 181.675 PRESSAVG: 3788600 -33.3107 13.2052 28.5336 13.2051 -3.10672 -37.6322 28.5336 -37.6322 0.392884 GPRESSAVG: 3788600 -31.8228 13.8389 28.8601 10.549 -3.24592 -39.509 29.9005 -35.1223 -0.461321 TIMING: 3788600 CPU: 12274.4, 0.00396427/step Wall: 12274.4, 0.00396427/step, 1.33398 hours remaining, 234.332031 MB of memory in use. ENERGY: 3788600 4059.1019 20424.8416 14490.4719 254.4308 -203128.8365 2131.2529 0.0000 0.0000 51708.8034 -110059.9340 297.1712 -161768.7374 -109697.1671 297.3211 -101.3779 -72.1303 761011.4371 -12.0082 -11.8434 PRESSURE: 3788800 -149.276 -217.259 -143.208 -217.259 43.0801 -185.154 -143.208 -185.154 449.384 GPRESSURE: 3788800 -5.67242 -183.363 -79.3601 -124.187 48.4972 -224.762 -226.082 -299.212 405.217 PRESSAVG: 3788800 -26.5121 -40.6163 -25.9247 -40.6163 31.6496 -76.3813 -25.9247 -76.3813 -7.58572 GPRESSAVG: 3788800 -27.3276 -41.8024 -25.9768 -38.6786 30.6887 -75.0218 -28.0901 -78.7615 -6.18076 TIMING: 3788800 CPU: 12275.2, 0.00395584/step Wall: 12275.2, 0.00395584/step, 1.33092 hours remaining, 234.332031 MB of memory in use. ENERGY: 3788800 3997.1801 20234.5279 14454.7134 234.4627 -203407.5223 2428.4056 0.0000 0.0000 52024.2218 -110034.0108 298.9839 -162058.2326 -109667.2014 298.2559 114.3959 149.3471 758604.0269 -0.8161 -0.9399 PRESSURE: 3789000 -130.282 298.722 3.23828 298.722 -184.171 46.3332 3.23833 46.3342 -159.871 GPRESSURE: 3789000 -34.2495 138.913 18.7259 188.073 -220.543 132.138 -40.1565 -117.086 -120.649 PRESSAVG: 3789000 6.48892 -27.7111 23.1918 -27.711 -24.3183 -75.3203 23.1919 -75.3203 -11.9729 GPRESSAVG: 3789000 6.14016 -27.7161 23.925 -29.5615 -22.9279 -74.7357 22.2938 -76.5871 -13.0041 TIMING: 3789000 CPU: 12276, 0.00397163/step Wall: 12276, 0.00397163/step, 1.33601 hours remaining, 234.332031 MB of memory in use. ENERGY: 3789000 3978.4095 20400.2451 14494.7453 250.4171 -203638.2806 2655.2656 0.0000 0.0000 51826.9978 -110032.2002 297.8505 -161859.1981 -109678.9751 298.3834 -158.1077 -125.1471 759713.9791 -9.9341 -9.9306 PRESSURE: 3789200 -318.429 -11.1055 222.675 -11.106 85.4644 147.572 222.675 147.573 -90.1321 GPRESSURE: 3789200 -183.149 78.0412 206.566 8.168 91.0651 101.461 283.013 264.316 -133.908 PRESSAVG: 3789200 -33.9912 -12.7127 12.3036 -12.7127 -16.3181 -33.0546 12.3037 -33.0547 -12.7423 GPRESSAVG: 3789200 -34.2254 -14.7591 12.0153 -11.0665 -16.4284 -32.6032 14.9167 -31.4083 -12.7022 TIMING: 3789200 CPU: 12276.8, 0.00396019/step Wall: 12276.8, 0.00396019/step, 1.33194 hours remaining, 234.472656 MB of memory in use. ENERGY: 3789200 3914.4139 20551.5452 14470.5502 262.1886 -203147.4278 2283.4648 0.0000 0.0000 51838.1845 -109827.0805 297.9148 -161665.2650 -109473.2027 298.4955 -107.6991 -75.3306 759453.9662 -21.0172 -21.1186 PRESSURE: 3789400 186.297 -212.3 -48.6996 -212.3 -78.729 -138.425 -48.6992 -138.424 18.2152 GPRESSURE: 3789400 339.252 -172.263 -65.258 -147.965 -116.979 -111.093 148.712 -228.121 20.5632 PRESSAVG: 3789400 34.1705 -32.2676 -63.5612 -32.2676 -20.7106 -80.004 -63.5612 -80.004 -10.9281 GPRESSAVG: 3789400 34.7665 -31.2548 -64.8572 -30.4348 -21.3221 -80.5217 -63.1933 -78.4361 -11.2932 TIMING: 3789400 CPU: 12277.6, 0.00397062/step Wall: 12277.6, 0.00397062/step, 1.33523 hours remaining, 234.472656 MB of memory in use. ENERGY: 3789400 3968.2815 20401.4395 14462.5702 243.6051 -203694.7884 2793.0599 0.0000 0.0000 51885.1006 -109940.7316 298.1844 -161825.8321 -109583.6700 298.4136 41.9278 80.9455 760708.1692 0.8439 0.7171 PRESSURE: 3789600 1.03796 90.2186 -16.7939 90.2191 133.914 35.2136 -16.7929 35.2137 227.257 GPRESSURE: 3789600 35.7231 123.999 23.5432 -7.54323 210.982 51.7226 -84.7363 -138.9 207.303 PRESSAVG: 3789600 17.081 -49.871 -9.171 -49.871 -59.0251 -25.8646 -9.17096 -25.8647 27.4856 GPRESSAVG: 3789600 17.2694 -48.5612 -8.41924 -52.3836 -58.5187 -25.6756 -10.5088 -26.6994 26.9619 TIMING: 3789600 CPU: 12278.4, 0.0039586/step Wall: 12278.4, 0.0039586/step, 1.33097 hours remaining, 234.472656 MB of memory in use. ENERGY: 3789600 4015.9447 20569.8287 14491.2265 268.6564 -203500.7695 2751.4166 0.0000 0.0000 51763.4023 -109640.2942 297.4850 -161403.6965 -109295.1168 298.5457 120.7361 151.3361 760079.1304 -4.8195 -4.7625 PRESSURE: 3789800 -187.542 -163.699 173.086 -163.699 -181.498 300.397 173.085 300.396 -325.276 GPRESSURE: 3789800 -191.357 -108.18 199.513 -125.03 -167.969 286.1 158.137 236.852 -301.158 PRESSAVG: 3789800 78.969 -51.2606 -44.5885 -51.2606 -41.71 -11.7078 -44.5885 -11.7078 35.424 GPRESSAVG: 3789800 78.7616 -52.6179 -44.7536 -49.2801 -41.2157 -9.73765 -42.0431 -15.2048 35.4716 TIMING: 3789800 CPU: 12279.2, 0.0039388/step Wall: 12279.2, 0.0039388/step, 1.32409 hours remaining, 234.542969 MB of memory in use. ENERGY: 3789800 4033.8834 20655.2477 14456.2187 234.9402 -203301.0707 2395.4608 0.0000 0.0000 52116.2755 -109409.0443 299.5130 -161525.3198 -109043.9426 299.4914 -231.4386 -220.1616 760689.9739 24.2277 24.3392 PRESSURE: 3790000 178.626 -6.04931 103.773 -6.04859 139.188 -64.7257 103.772 -64.7255 158.87 GPRESSURE: 3790000 244.514 -46.7772 115.398 -114.311 118.09 -125.401 62.8838 7.3485 200.732 PRESSAVG: 3790000 12.1786 -1.45409 4.57622 -1.4541 2.06946 -11.7604 4.57628 -11.7603 2.40437 GPRESSAVG: 3790000 12.6597 -1.2102 4.58183 -2.46684 1.87844 -12.5839 0.828765 -9.31656 2.4993 TIMING: 3790000 CPU: 12280, 0.00397203/step Wall: 12280, 0.00397203/step, 1.33504 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 4007.3018 20653.2986 14471.1885 272.7932 -203331.4998 2650.5353 0.0000 0.0000 51987.1016 -109289.2810 298.7706 -161276.3825 -108923.5509 299.3837 158.8949 187.7785 760107.0735 5.5508 5.6792 PRESSURE: 3790200 478.789 278.861 247.632 278.861 -59.6313 173.219 247.633 173.218 335.692 GPRESSURE: 3790200 479.153 105.809 171.648 215.332 10.039 175.565 192.605 244.456 354.146 PRESSAVG: 3790200 -30.9165 -63.3062 7.97403 -63.3062 10.7957 -43.9822 7.97405 -43.9822 -24.4112 GPRESSAVG: 3790200 -31.1776 -62.4027 7.26618 -65.345 10.0391 -42.9283 9.61734 -44.6666 -23.2895 TIMING: 3790200 CPU: 12280.8, 0.00398192/step Wall: 12280.8, 0.00398192/step, 1.33815 hours remaining, 234.542969 MB of memory in use. ENERGY: 3790200 3972.0352 20473.6595 14462.0894 263.5090 -203052.0802 2508.9054 0.0000 0.0000 52110.4676 -109261.4142 299.4796 -161371.8818 -108889.7985 299.4810 251.6166 281.1126 761824.4133 -14.8440 -14.8093 PRESSURE: 3790400 96.388 -172.972 -172.317 -172.973 124.214 182.041 -172.317 182.041 -137.683 GPRESSURE: 3790400 130.713 -214.443 -158.466 -151.679 104.473 219.228 -28.793 87.3256 -92.4963 PRESSAVG: 3790400 -25.1901 -35.3666 -23.2446 -35.3665 60.7056 -24.4945 -23.2447 -24.4946 29.5635 GPRESSAVG: 3790400 -24.4357 -35.9255 -21.1904 -32.6427 60.9844 -26.5997 -23.4274 -24.1261 28.1944 TIMING: 3790400 CPU: 12281.6, 0.00396714/step Wall: 12281.6, 0.00396714/step, 1.33296 hours remaining, 234.542969 MB of memory in use. ENERGY: 3790400 3971.9097 20538.7338 14474.3869 273.9959 -203706.3318 2722.6797 0.0000 0.0000 52218.4609 -109506.1649 300.1002 -161724.6258 -109151.6459 299.8240 27.6394 47.5633 759910.7499 21.6930 21.5810 PRESSURE: 3790600 -196.69 -144.371 -23.7812 -144.371 -483.965 -104.826 -23.7805 -104.826 203.901 GPRESSURE: 3790600 -197.769 -154.821 -45.0365 -254.69 -403.203 -162.22 -33.0792 -12.2254 217.872 PRESSAVG: 3790600 8.44037 -29.582 -8.1718 -29.5819 -23.5254 14.7127 -8.1718 14.7128 12.1055 GPRESSAVG: 3790600 7.56451 -29.9601 -9.87173 -31.3949 -22.104 15.9227 -6.66824 15.4591 11.2406 TIMING: 3790600 CPU: 12282.4, 0.00396537/step Wall: 12282.4, 0.00396537/step, 1.33214 hours remaining, 234.542969 MB of memory in use. ENERGY: 3790600 3903.9753 20459.4653 14459.9680 261.9008 -203324.6082 2693.0852 0.0000 0.0000 52023.4823 -109522.7312 298.9797 -161546.2135 -109160.8228 299.2873 -158.9183 -127.6999 762970.7156 -0.9932 -1.0996 PRESSURE: 3790800 526.5 261.409 -58.5128 261.409 289.559 -17.6594 -58.5124 -17.6601 199.202 GPRESSURE: 3790800 559.983 310.447 -16.0373 243.068 309.054 -46.97 -27.6809 -116.586 253.434 PRESSAVG: 3790800 63.0367 -56.8029 -35.4719 -56.8029 -40.1814 -8.252 -35.4719 -8.25215 3.78426 GPRESSAVG: 3790800 62.6145 -55.4526 -33.3115 -57.0062 -40.8674 -10.866 -36.9118 -9.63637 4.15296 TIMING: 3790800 CPU: 12283.2, 0.00397601/step Wall: 12283.2, 0.00397601/step, 1.3355 hours remaining, 234.542969 MB of memory in use. ENERGY: 3790800 3890.2257 20306.6443 14425.4603 242.7231 -203272.0111 2688.1591 0.0000 0.0000 52099.3901 -109619.4084 299.4159 -161718.7985 -109259.7433 298.8489 338.4200 374.1570 760576.5011 8.8798 8.6334 PRESSURE: 3791000 150.599 -21.4671 -53.125 -21.4663 20.9516 -82.7508 -53.1233 -82.7507 -99.7894 GPRESSURE: 3791000 139.583 -131.909 22.5012 37.1497 144.328 -109.254 -135.933 -61.0562 -129.298 PRESSAVG: 3791000 -30.9722 -40.1935 -39.6373 -40.1935 28.2485 1.21931 -39.6373 1.21943 -7.06151 GPRESSAVG: 3791000 -31.4331 -42.0694 -38.1951 -39.1904 28.8284 1.96791 -39.6664 0.0910609 -7.33917 TIMING: 3791000 CPU: 12284, 0.00402141/step Wall: 12284, 0.00402141/step, 1.35052 hours remaining, 234.542969 MB of memory in use. ENERGY: 3791000 4013.4394 20379.9686 14425.6724 249.8386 -203390.3249 2529.8305 0.0000 0.0000 52114.5079 -109677.0674 299.5028 -161791.5754 -109311.1337 298.8991 23.9205 51.5380 760236.7747 -3.2618 -3.3146 PRESSURE: 3791200 -110.217 34.6364 -24.8645 34.6361 -126.837 120.228 -24.8644 120.228 -103.171 GPRESSURE: 3791200 -100.28 -13.1358 12.2345 75.9476 -158.353 124.958 -41.7605 183.043 3.06043 PRESSAVG: 3791200 -13.0819 -46.4153 -36.0316 -46.4153 -2.67722 14.1613 -36.0316 14.1613 0.348433 GPRESSAVG: 3791200 -12.667 -45.0808 -38.4025 -46.5684 -4.88646 16.396 -36.2977 16.6748 1.92502 TIMING: 3791200 CPU: 12284.8, 0.0039933/step Wall: 12284.8, 0.0039933/step, 1.34086 hours remaining, 234.542969 MB of memory in use. ENERGY: 3791200 3908.3170 20557.1107 14459.9816 262.0275 -203417.6684 2371.0117 0.0000 0.0000 52124.8005 -109734.4194 299.5619 -161859.2199 -109375.9350 299.3623 -113.4081 -85.1909 760534.7449 -5.1369 -5.2095 PRESSURE: 3791400 -53.2926 115.873 -357.337 115.874 278.965 44.9899 -357.338 44.9902 172.654 GPRESSURE: 3791400 18.1311 189.675 -326.592 87.2691 331.991 102.679 -357.512 38.1319 141.377 PRESSAVG: 3791400 -57.3955 -29.2331 -103.407 -29.2331 46.5752 1.00807 -103.407 1.00816 22.118 GPRESSAVG: 3791400 -56.4787 -29.7961 -102.185 -28.7152 46.7189 0.420069 -105.133 1.60553 21.8178 TIMING: 3791400 CPU: 12285.6, 0.00398506/step Wall: 12285.6, 0.00398506/step, 1.33787 hours remaining, 234.542969 MB of memory in use. ENERGY: 3791400 3901.1989 20349.9476 14490.6577 237.7029 -203519.3627 2800.6961 0.0000 0.0000 51938.7303 -109800.4293 298.4926 -161739.1595 -109440.6968 298.8057 132.7754 163.8329 760947.4135 3.7659 4.0193 PRESSURE: 3791600 -233.534 77.8806 175.069 77.8803 61.0505 188.209 175.068 188.209 -288.746 GPRESSURE: 3791600 -205.264 50.7689 219.794 49.2595 58.2581 151.224 138.134 123.408 -230.005 PRESSAVG: 3791600 -20.9027 -61.0259 10.8645 -61.026 16.0198 50.926 10.8645 50.9259 5.86488 GPRESSAVG: 3791600 -21.1029 -61.6847 10.1734 -61.3251 16.6585 51.5621 14.2556 49.4981 6.336 TIMING: 3791600 CPU: 12286.4, 0.00399687/step Wall: 12286.4, 0.00399687/step, 1.34161 hours remaining, 234.542969 MB of memory in use. ENERGY: 3791600 3950.0058 20459.2865 14444.6227 236.6241 -203127.3014 2543.1952 0.0000 0.0000 51804.4739 -109689.0932 297.7210 -161493.5671 -109327.6706 298.5653 -153.7431 -125.6703 761864.4672 0.3273 0.6306 PRESSURE: 3791800 102.286 -34.4173 147.707 -34.4178 -367.74 -28.1734 147.707 -28.1736 -167.598 GPRESSURE: 3791800 88.765 -87.6879 129.607 18.0872 -224.671 69.3189 52.0122 -93.9507 -203.578 PRESSAVG: 3791800 -56.5442 -48.5386 50.3138 -48.5386 71.5558 -0.00170751 50.3138 -0.00172238 6.36318 GPRESSAVG: 3791800 -56.1477 -49.3779 48.2309 -46.8114 71.2866 -1.82632 52.2566 1.11125 6.07222 TIMING: 3791800 CPU: 12287.2, 0.00399619/step Wall: 12287.2, 0.00399619/step, 1.34117 hours remaining, 234.542969 MB of memory in use. ENERGY: 3791800 3994.5208 20472.8120 14427.9717 246.9194 -203331.2974 2420.8517 0.0000 0.0000 52247.4670 -109520.7548 300.2669 -161768.2218 -109155.0065 299.5999 -144.3507 -113.1614 760504.5925 7.1249 7.0704 PRESSURE: 3792000 -80.8076 -140.921 -134.074 -140.92 -74.9143 158.285 -134.073 158.286 393.294 GPRESSURE: 3792000 -61.6272 -180.758 -186.232 -161.547 18.001 126.155 -135.284 167.116 381.691 PRESSAVG: 3792000 19.9883 -38.4002 6.00661 -38.4002 -24.8225 -28.2439 6.00658 -28.2439 12.2574 GPRESSAVG: 3792000 20.4796 -37.4457 7.09213 -40.16 -24.6455 -27.1564 3.88741 -28.8238 12.2516 TIMING: 3792000 CPU: 12288, 0.00399811/step Wall: 12288, 0.00399811/step, 1.34159 hours remaining, 234.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3792000 3919.5859 20283.8402 14494.1823 239.6445 -203050.4516 2303.8386 0.0000 0.0000 52112.1892 -109697.1708 299.4895 -161809.3600 -109328.8574 298.7818 79.1906 112.6883 762705.9086 2.4744 2.6952 PRESSURE: 3792200 12.5079 3.67422 42.2404 3.67385 -203.493 -65.493 42.2408 -65.4927 -311.771 GPRESSURE: 3792200 40.0524 131.537 38.8301 -38.6848 -225.309 -76.5183 40.8135 -52.6658 -224.794 PRESSAVG: 3792200 11.624 -6.6868 -3.39443 -6.68675 0.317053 -14.2902 -3.39437 -14.2901 -2.97673 GPRESSAVG: 3792200 13.0448 -3.78222 -2.58363 -9.40312 -1.97467 -14.4434 -4.48186 -14.521 -2.51824 TIMING: 3792200 CPU: 12288.8, 0.0039807/step Wall: 12288.8, 0.0039807/step, 1.33553 hours remaining, 234.542969 MB of memory in use. ENERGY: 3792200 3903.8307 20508.6245 14489.9040 233.9459 -203435.8157 2474.5312 0.0000 0.0000 52173.8224 -109651.1571 299.8437 -161824.9795 -109292.7173 298.8779 -167.5853 -136.6834 761751.2348 2.9881 2.8506 LDB: ============= START OF LOAD BALANCING ============== 12301.3 LDB: ============== END OF LOAD BALANCING =============== 12301.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12301.3 LDB: ============= START OF LOAD BALANCING ============== 12301.7 LDB: Largest compute 7033 load 0.033089 is 17.1% of average load 0.193318 LDB: Average compute 0.004471 is 2.3% of average load 0.193318 LDB: TIME 12301.7 LOAD: AVG 0.193318 MAX 0.212317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.367 MB LDB: TIME 12301.7 LOAD: AVG 0.193318 MAX 0.212317 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.367 MB LDB: TIME 12301.7 LOAD: AVG 0.193318 MAX 0.212317 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.367 MB LDB: ============== END OF LOAD BALANCING =============== 12301.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12301.7 PRESSURE: 3792400 174.449 332.936 -121.736 332.936 -319.649 27.5017 -121.735 27.502 -145.466 GPRESSURE: 3792400 237.803 218.515 -77.1088 289.548 -282.069 49.9779 -65.9758 107.904 -197.621 PRESSAVG: 3792400 34.6179 -1.8239 14.0368 -1.82384 -8.43802 1.94352 14.0368 1.94355 21.8644 GPRESSAVG: 3792400 33.4229 -3.58824 13.3685 0.593808 -6.52487 0.887342 14.4875 2.21088 21.1808 TIMING: 3792400 CPU: 12289.6, 0.00403192/step Wall: 12289.6, 0.00403192/step, 1.35248 hours remaining, 233.437500 MB of memory in use. ENERGY: 3792400 3931.6925 20579.7801 14553.6011 230.7229 -203565.8316 2530.9492 0.0000 0.0000 52149.2505 -109589.8353 299.7025 -161739.0858 -109234.6434 299.5111 -96.8889 -80.6294 761903.1245 16.0148 16.0263 PRESSURE: 3792600 1.48818 11.8104 35.4675 11.8105 119.6 101.231 35.4678 101.232 -136.599 GPRESSURE: 3792600 28.8608 -109.481 -3.19258 12.8404 107.844 97.2634 12.8966 109.617 -74.0963 PRESSAVG: 3792600 25.4806 -21.8583 43.7228 -21.8582 1.73647 70.5765 43.7228 70.5765 16.7893 GPRESSAVG: 3792600 25.3227 -22.2894 43.9442 -19.7845 1.21859 72.0767 42.3479 70.2713 17.2797 TIMING: 3792600 CPU: 12290.4, 0.00396412/step Wall: 12290.4, 0.00396412/step, 1.32952 hours remaining, 233.437500 MB of memory in use. ENERGY: 3792600 4027.5810 20620.3810 14506.2116 242.2375 -203302.5292 2451.2180 0.0000 0.0000 52080.4787 -109374.4215 299.3072 -161454.9002 -109022.1146 299.4387 -5.1702 20.8694 761250.7434 14.6688 14.6070 PRESSURE: 3792800 276.654 -69.8579 -199.714 -69.8568 265.897 34.5268 -199.714 34.5267 197.763 GPRESSURE: 3792800 359.411 -114.742 -151.677 2.28609 257.973 135.675 -266.707 -58.1859 215.212 PRESSAVG: 3792800 -44.9459 -66.422 -11.6946 -66.422 69.5023 39.0907 -11.6947 39.0906 11.0294 GPRESSAVG: 3792800 -44.5765 -67.1728 -10.6874 -68.7348 69.4253 38.5456 -11.5618 38.7379 10.9017 TIMING: 3792800 CPU: 12291.2, 0.00396888/step Wall: 12291.2, 0.00396889/step, 1.3309 hours remaining, 233.437500 MB of memory in use. ENERGY: 3792800 3929.0455 20449.4318 14478.6876 247.8861 -203937.4059 2989.9043 0.0000 0.0000 52376.3775 -109466.0731 301.0078 -161842.4506 -109099.6413 299.8389 246.7712 277.5320 761217.4553 11.8619 11.9168 PRESSURE: 3793000 160.447 52.3098 -108.178 52.3103 -4.80212 101.048 -108.178 101.048 -352.091 GPRESSURE: 3793000 161.685 -5.39506 -93.4929 15.2516 43.5176 105.92 -99.7124 -6.92734 -284.631 PRESSAVG: 3793000 -21.2469 -66.0649 1.24643 -66.0649 17.8565 -3.42125 1.24646 -3.42131 -9.89498 GPRESSAVG: 3793000 -21.3277 -67.163 1.6397 -64.3786 17.8724 -3.79238 2.62475 -3.61631 -9.78957 TIMING: 3793000 CPU: 12292, 0.00397807/step Wall: 12292, 0.00397807/step, 1.33376 hours remaining, 233.437500 MB of memory in use. ENERGY: 3793000 4012.1129 20449.9055 14373.9925 233.8702 -203349.8185 2639.3748 0.0000 0.0000 52348.8555 -109291.7071 300.8496 -161640.5626 -108934.1244 299.8814 -65.4821 -26.4762 760377.9007 -4.4285 -4.4149 PRESSURE: 3793200 234.443 -182.707 -27.1848 -182.707 -86.1857 -49.7545 -27.185 -49.7534 210.011 GPRESSURE: 3793200 168.347 -163.347 31.3859 -136.679 -28.9679 -51.9996 -52.1541 -71.78 309.704 PRESSAVG: 3793200 -17.576 -12.115 -22.0585 -12.1151 13.2934 -28.9774 -22.0585 -28.9775 -27.8433 GPRESSAVG: 3793200 -17.3991 -10.0134 -22.4658 -12.0287 13.0156 -28.9042 -23.1727 -28.608 -28.1266 TIMING: 3793200 CPU: 12292.7, 0.0039591/step Wall: 12292.7, 0.0039591/step, 1.32718 hours remaining, 233.437500 MB of memory in use. ENERGY: 3793200 3961.3930 20682.3724 14462.4801 235.2765 -203427.6418 2606.5142 0.0000 0.0000 52213.0539 -109266.5516 300.0691 -161479.6055 -108897.9799 299.6671 119.4228 149.6946 760703.2737 -10.7086 -10.8367 PRESSURE: 3793400 -222.94 -121.393 -79.4863 -121.394 126.218 -16.0559 -79.4859 -16.0555 -87.1479 GPRESSURE: 3793400 -103.539 -180.607 28.2052 55.2455 159.031 -49.9188 -77.4194 -35.3821 -152.341 PRESSAVG: 3793400 -20.0146 -67.0548 -20.7823 -67.0549 -4.05929 7.79826 -20.7824 7.79828 24.3622 GPRESSAVG: 3793400 -21.3162 -68.9276 -21.8374 -67.3222 -3.26922 5.88076 -21.9228 11.5742 24.5388 TIMING: 3793400 CPU: 12293.5, 0.00394952/step Wall: 12293.5, 0.00394952/step, 1.32375 hours remaining, 233.437500 MB of memory in use. ENERGY: 3793400 4037.1467 20496.7702 14433.1754 241.5746 -203361.2473 2673.8469 0.0000 0.0000 52229.7557 -109248.9779 300.1651 -161478.7336 -108878.1477 299.8084 -61.2901 -32.2830 762336.6202 0.0961 -0.0155 PRESSURE: 3793600 9.65388 191.079 -251.269 191.079 -429.76 72.9097 -251.27 72.9102 73.1215 GPRESSURE: 3793600 -20.9697 211.728 -269.816 -6.68737 -279.469 1.34001 -139.916 66.6834 44.9653 PRESSAVG: 3793600 -24.2758 -61.4813 -24.8891 -61.4814 33.6528 6.22812 -24.889 6.22806 -17.8153 GPRESSAVG: 3793600 -23.0932 -60.6159 -25.7812 -63.3884 33.5703 7.85165 -23.3089 2.30056 -18.342 TIMING: 3793600 CPU: 12294.3, 0.00395146/step Wall: 12294.3, 0.00395146/step, 1.32418 hours remaining, 233.437500 MB of memory in use. ENERGY: 3793600 4062.5784 20379.1366 14500.3525 256.2269 -203332.9258 2598.2302 0.0000 0.0000 52187.9135 -109348.4876 299.9247 -161536.4012 -108989.6099 299.5721 -115.6614 -85.1580 762245.9472 -2.8128 -2.6216 PRESSURE: 3793800 6.45507 -6.46257 18.1359 -6.46276 143.244 -88.4094 18.1367 -88.4108 295.702 GPRESSURE: 3793800 -11.5724 -80.0408 -28.759 -7.33013 210.784 -161.33 -18.1526 4.23923 334.935 PRESSAVG: 3793800 -32.9722 -45.9045 -26.0597 -45.9045 60.1082 -21.13 -26.0597 -21.13 -12.6447 GPRESSAVG: 3793800 -34.1305 -45.8521 -25.4982 -45.8722 60.8813 -19.5132 -25.672 -20.7192 -11.8122 TIMING: 3793800 CPU: 12295.1, 0.00392464/step Wall: 12295.1, 0.00392464/step, 1.31497 hours remaining, 233.437500 MB of memory in use. ENERGY: 3793800 3920.5085 20544.6799 14418.0652 248.7416 -203582.3708 2666.0755 0.0000 0.0000 52294.0334 -109490.2668 300.5345 -161784.3002 -109132.5221 299.5201 148.4670 178.0489 761126.5164 4.8304 4.9795 PRESSURE: 3794000 -443.603 39.0032 -62.2035 39.0036 -25.6377 284.049 -62.2034 284.049 145.661 GPRESSURE: 3794000 -355.811 -91.5794 -45.9301 50.92 -46.5214 286.445 -77.3173 191.588 146.945 PRESSAVG: 3794000 -63.8223 19.2579 -28.1466 19.258 32.9792 -2.23079 -28.1466 -2.23083 -11.297 GPRESSAVG: 3794000 -62.6452 18.5354 -28.0421 19.2101 31.7652 -2.85588 -27.834 -3.29003 -11.3361 TIMING: 3794000 CPU: 12295.9, 0.00395688/step Wall: 12295.9, 0.00395688/step, 1.32555 hours remaining, 233.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3794000 4008.8544 20617.9810 14553.8859 249.2865 -203443.1196 2534.9196 0.0000 0.0000 52199.5670 -109278.6252 299.9916 -161478.1922 -108907.6306 299.6687 -107.8599 -85.1291 760327.9934 -14.0467 -14.0720 PRESSURE: 3794200 49.5339 -10.9422 59.129 -10.9419 -329.106 105.24 59.1298 105.24 -341.195 GPRESSURE: 3794200 65.3148 -84.3304 145.314 -113.947 -301.528 96.5984 -31.5116 110.138 -308.763 PRESSAVG: 3794200 -8.10397 -13.9372 -11.4146 -13.9372 31.7162 22.8049 -11.4146 22.805 17.4469 GPRESSAVG: 3794200 -7.8539 -13.9878 -11.827 -14.1153 31.722 22.6986 -14.056 23.6703 17.2793 TIMING: 3794200 CPU: 12296.7, 0.00395452/step Wall: 12296.7, 0.00395452/step, 1.32454 hours remaining, 233.437500 MB of memory in use. ENERGY: 3794200 3933.8357 20582.0248 14544.7023 248.9943 -203282.5294 2262.8901 0.0000 0.0000 52493.9876 -109216.0945 301.6837 -161710.0821 -108856.5175 300.3260 -206.9222 -181.6588 760849.6910 13.6864 13.7158 PRESSURE: 3794400 236.29 -152.919 4.9599 -152.919 56.0063 37.0226 4.96032 37.0224 219.515 GPRESSURE: 3794400 262.508 -127.477 -0.28374 -94.8185 150.92 61.4221 199.636 13.0718 187.826 PRESSAVG: 3794400 -21.0357 -36.5273 -1.81671 -36.5273 10.5308 26.6246 -1.81667 26.6246 5.83153 GPRESSAVG: 3794400 -22.2461 -35.5489 -0.673606 -36.0928 10.8183 25.686 -0.384815 27.127 6.82976 TIMING: 3794400 CPU: 12297.5, 0.00396082/step Wall: 12297.5, 0.00396082/step, 1.32643 hours remaining, 233.437500 MB of memory in use. ENERGY: 3794400 3975.5018 20612.2613 14507.7923 269.4000 -203133.2628 2504.3365 0.0000 0.0000 52092.8769 -109171.0939 299.3785 -161263.9708 -108821.4108 300.2390 170.6038 200.4179 758984.0560 -1.5578 -1.5327 PRESSURE: 3794600 -42.8303 206.483 -256.622 206.483 -79.6133 -147.93 -256.621 -147.93 -5.74341 GPRESSURE: 3794600 14.658 124.972 -273.003 156.18 9.27236 -117.33 -265.964 -233.138 -59.9974 PRESSAVG: 3794600 -16.0126 -41.8496 -19.5138 -41.8496 -1.34181 10.7766 -19.5138 10.7767 -9.92436 GPRESSAVG: 3794600 -14.9704 -42.9729 -19.1341 -41.8139 -0.492598 11.0758 -18.1587 10.624 -12.337 TIMING: 3794600 CPU: 12298.3, 0.00394255/step Wall: 12298.3, 0.00394255/step, 1.3201 hours remaining, 233.437500 MB of memory in use. ENERGY: 3794600 3964.7045 20476.8394 14459.8995 238.0771 -202921.2518 2290.2829 0.0000 0.0000 52322.2504 -109169.1981 300.6967 -161491.4485 -108797.8612 299.8874 -42.7290 -12.0223 760947.4394 -9.0929 -9.2667 PRESSURE: 3794800 90.9409 21.0523 171.872 21.0523 -38.981 101.039 171.873 101.04 -75.5582 GPRESSURE: 3794800 147.941 34.3777 122.796 -45.3837 -31.5688 129.211 136.516 49.0189 -53.5896 PRESSAVG: 3794800 -13.2889 -47.1712 -15.8303 -47.1712 -0.94475 11.4945 -15.8302 11.4945 -22.1051 GPRESSAVG: 3794800 -13.293 -47.4611 -15.4776 -47.1416 -1.69139 13.73 -17.6655 9.69617 -21.6456 TIMING: 3794800 CPU: 12299.1, 0.0039558/step Wall: 12299.1, 0.0039558/step, 1.32431 hours remaining, 233.437500 MB of memory in use. ENERGY: 3794800 3926.8826 20459.1622 14519.7988 249.0665 -203198.0138 2749.4713 0.0000 0.0000 52128.4897 -109165.1425 299.5831 -161293.6323 -108798.4732 300.0522 -7.8661 20.9274 761123.2820 -12.1129 -12.2100 PRESSURE: 3795000 302.166 -49.4875 -8.76745 -49.4875 -26.381 -325.49 -8.76689 -325.49 -225.397 GPRESSURE: 3795000 279.374 -39.0993 50.3757 -1.69026 12.7091 -466.962 -37.9717 -160.685 -148.543 PRESSAVG: 3795000 -35.0296 10.0195 -31.9573 10.0194 25.9933 -15.7977 -31.9573 -15.7977 0.330214 GPRESSAVG: 3795000 -35.6573 11.6257 -33.3165 9.39347 26.509 -18.121 -30.4814 -13.5001 0.864528 TIMING: 3795000 CPU: 12299.9, 0.00394411/step Wall: 12299.9, 0.00394411/step, 1.32018 hours remaining, 233.437500 MB of memory in use. ENERGY: 3795000 3949.8435 20405.0237 14540.5655 248.3430 -203189.3171 2693.7875 0.0000 0.0000 52239.6222 -109112.1317 300.2218 -161351.7539 -108744.5839 299.6771 16.7957 47.8464 761422.4170 -2.9020 -2.7612 PRESSURE: 3795200 -187.222 -154.885 72.6182 -154.885 -36.6479 128.343 72.6184 128.343 -118.971 GPRESSURE: 3795200 -239.765 -156.643 61.6284 -187.02 46.58 186.049 140.407 72.452 -81.4817 PRESSAVG: 3795200 37.5114 -32.0735 20.0731 -32.0735 5.68988 19.3394 20.0731 19.3394 7.90507 GPRESSAVG: 3795200 37.6749 -32.5721 19.2378 -30.9584 5.07468 20.4274 19.4414 17.7298 8.36175 TIMING: 3795200 CPU: 12300.6, 0.00396028/step Wall: 12300.6, 0.00396028/step, 1.32537 hours remaining, 233.437500 MB of memory in use. ENERGY: 3795200 3973.0876 20500.3791 14447.5145 235.7604 -203215.2254 2310.8950 0.0000 0.0000 52448.2893 -109299.2995 301.4210 -161747.5888 -108920.0613 299.9840 -114.2802 -91.5556 763884.6898 17.0355 17.0371 PRESSURE: 3795400 269.39 -94.221 -7.19773 -94.2208 -6.41346 -42.9496 -7.19693 -42.9499 -260.922 GPRESSURE: 3795400 258.759 -13.4081 -105.443 -15.2548 105.121 -9.66716 -104.534 -133.374 -298.576 PRESSAVG: 3795400 -16.0169 -59.05 8.01065 -59.05 12.6963 -25.6577 8.01074 -25.6577 -11.8626 GPRESSAVG: 3795400 -16.7786 -61.3162 7.12886 -58.0093 14.2688 -25.6454 8.4376 -24.5948 -12.732 TIMING: 3795400 CPU: 12301.4, 0.00394753/step Wall: 12301.4, 0.00394753/step, 1.32089 hours remaining, 233.437500 MB of memory in use. ENERGY: 3795400 3963.8463 20614.5794 14528.9820 252.4916 -203179.1079 2493.1695 0.0000 0.0000 52110.0131 -109216.0260 299.4770 -161326.0391 -108853.2702 299.9364 0.6847 21.7680 761544.5141 -5.0611 -5.0806 PRESSURE: 3795600 -100.841 34.7662 223.416 34.7662 305.76 207.27 223.416 207.269 -86.5018 GPRESSURE: 3795600 -41.3719 36.0329 229.733 -3.82472 242.084 343.533 160.744 180.475 -8.05703 PRESSAVG: 3795600 -18.8319 -32.641 -4.64208 -32.641 18.4146 -28.5915 -4.64207 -28.5916 24.0046 GPRESSAVG: 3795600 -17.0275 -30.5729 -2.41274 -33.6258 17.2587 -27.7766 -6.05705 -28.1438 23.6075 TIMING: 3795600 CPU: 12302.2, 0.00396855/step Wall: 12302.2, 0.00396855/step, 1.3277 hours remaining, 233.437500 MB of memory in use. ENERGY: 3795600 4027.5223 20421.6257 14499.7010 247.2067 -203152.7307 2556.4349 0.0000 0.0000 52048.3237 -109351.9164 299.1224 -161400.2401 -108987.5904 299.7176 39.4723 64.2183 761127.3587 7.8624 7.9463 PRESSURE: 3795800 -162.112 -149.521 34.9174 -149.521 -195.657 2.38912 34.9166 2.39028 -124.971 GPRESSURE: 3795800 -125.178 -167.067 43.2192 -125.56 -196.553 85.4108 20.9995 -22.8581 -88.9503 PRESSAVG: 3795800 -4.40488 4.00162 42.7888 4.00167 -22.307 -6.77635 42.7888 -6.77631 -1.89434 GPRESSAVG: 3795800 -4.8992 3.59333 41.3008 4.33981 -21.3986 -5.84927 43.5297 -9.95525 -1.69547 TIMING: 3795800 CPU: 12303, 0.00395453/step Wall: 12303, 0.00395453/step, 1.32279 hours remaining, 233.437500 MB of memory in use. ENERGY: 3795800 3965.0773 20711.8898 14491.7289 251.5451 -203299.7493 2514.7786 0.0000 0.0000 52023.9760 -109340.7536 298.9825 -161364.7295 -108973.8070 299.3847 -160.9132 -136.8939 762711.6834 -9.5354 -9.3311 PRESSURE: 3796000 -245.968 -27.6655 -159.441 -27.6663 -425.628 -67.0472 -159.441 -67.0465 -503.111 GPRESSURE: 3796000 -286.355 -104.596 -155.288 -18.3743 -306.45 -109.317 -147.861 93.6113 -479.597 PRESSAVG: 3796000 -14.7936 -14.8452 14.2498 -14.8451 -38.9075 -5.01486 14.2498 -5.01492 -18.7321 GPRESSAVG: 3796000 -15.8148 -13.7529 15.0621 -17.4857 -37.8585 -4.45656 13.3332 -3.19711 -18.5579 TIMING: 3796000 CPU: 12303.8, 0.00397306/step Wall: 12303.8, 0.00397306/step, 1.32877 hours remaining, 233.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3796000 3963.9588 20628.8580 14436.0388 246.0375 -202598.6686 2009.5806 0.0000 0.0000 52240.2019 -109073.9930 300.2252 -161314.1950 -108706.9366 299.5143 -391.5690 -357.4675 763875.9339 -24.1444 -24.0771 PRESSURE: 3796200 -257.036 -17.6945 -118.937 -17.6942 32.8052 -59.043 -118.935 -59.043 235.948 GPRESSURE: 3796200 -220.562 -135.797 -150.446 39.0107 43.8572 -43.3194 -27.4354 -71.7344 252.317 PRESSAVG: 3796200 -0.991925 -4.15373 -13.4433 -4.15372 15.983 -26.3407 -13.4434 -26.3407 18.2749 GPRESSAVG: 3796200 -1.54059 -3.05298 -12.6667 -1.29002 15.7701 -29.6844 -12.9621 -23.6836 18.7847 TIMING: 3796200 CPU: 12304.6, 0.00395725/step Wall: 12304.6, 0.00395725/step, 1.32326 hours remaining, 233.437500 MB of memory in use. ENERGY: 3796200 4025.1858 20649.8747 14453.5349 253.3368 -203163.7188 2684.1350 0.0000 0.0000 52034.1257 -109063.5260 299.0408 -161097.6516 -108709.9414 299.3477 3.9057 25.2041 762521.0367 11.0887 11.0047 LDB: ============= START OF LOAD BALANCING ============== 12317.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12317.1 LDB: =============== DONE WITH MIGRATION ================ 12317.1 LDB: ============= START OF LOAD BALANCING ============== 12317.5 LDB: Largest compute 7078 load 0.030940 is 16.0% of average load 0.193350 LDB: Average compute 0.004459 is 2.3% of average load 0.193350 LDB: TIME 12317.5 LOAD: AVG 0.19335 MAX 0.213556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.438 MB LDB: TIME 12317.5 LOAD: AVG 0.19335 MAX 0.213556 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.438 MB LDB: TIME 12317.5 LOAD: AVG 0.19335 MAX 0.213556 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.438 MB LDB: ============== END OF LOAD BALANCING =============== 12317.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12317.5 PRESSURE: 3796400 60.9002 -17.8218 -166.848 -17.8214 -24.9515 -128.716 -166.847 -128.718 -31.613 GPRESSURE: 3796400 92.8438 -73.8324 -143.276 27.653 33.2139 -137.823 -202.069 -88.5703 -22.101 PRESSAVG: 3796400 -4.62415 -27.8735 -109.049 -27.8735 -1.61014 31.4833 -109.049 31.4833 9.44902 GPRESSAVG: 3796400 -3.03337 -29.826 -109.972 -28.2922 -2.24473 33.3974 -109.455 28.68 8.35733 TIMING: 3796400 CPU: 12305.4, 0.00402136/step Wall: 12305.4, 0.00402136/step, 1.34447 hours remaining, 233.367188 MB of memory in use. ENERGY: 3796400 3956.8024 20428.3550 14501.4829 229.9148 -202968.0555 2386.1501 0.0000 0.0000 52362.6412 -109102.7090 300.9288 -161465.3502 -108727.8501 300.0783 1.4452 34.6522 760905.8704 1.0716 1.0264 PRESSURE: 3796600 113.7 -41.7909 90.0674 -41.7925 -1.64557 129.505 90.0687 129.505 -107.589 GPRESSURE: 3796600 28.461 -108.518 60.5766 9.50511 170.983 92.0768 142.359 59.0735 -110.907 PRESSAVG: 3796600 0.205315 -41.2996 -103.233 -41.2996 -15.7012 -23.5618 -103.233 -23.5617 -17.2584 GPRESSAVG: 3796600 -1.43769 -40.262 -104.019 -42.1623 -13.2561 -22.8957 -100.947 -22.2891 -17.3493 TIMING: 3796600 CPU: 12306.2, 0.00397018/step Wall: 12306.2, 0.00397018/step, 1.32714 hours remaining, 233.367188 MB of memory in use. ENERGY: 3796600 3886.8685 20459.0837 14497.0665 254.8263 -202927.0988 2449.8045 0.0000 0.0000 52362.7473 -109016.7019 300.9294 -161379.4492 -108646.5498 300.3636 1.4884 29.5122 762299.9568 -10.9181 -10.6810 PRESSURE: 3796800 -442.723 -28.0261 -170.151 -28.0272 -183.701 -6.23972 -170.151 -6.23986 -415.921 GPRESSURE: 3796800 -450.672 -100.565 -277.053 -73.0028 -57.7395 71.1103 -116.074 -60.4989 -452.717 PRESSAVG: 3796800 0.400455 25.2258 -63.8996 25.2258 -9.95005 27.8135 -63.8996 27.8135 32.5488 GPRESSAVG: 3796800 2.04724 24.5687 -62.9826 25.9524 -11.8307 28.4675 -64.5868 24.0111 32.9978 TIMING: 3796800 CPU: 12307, 0.00398542/step Wall: 12307, 0.00398542/step, 1.33201 hours remaining, 233.367188 MB of memory in use. ENERGY: 3796800 4011.2107 20661.4223 14462.5463 247.8176 -202703.0844 2147.9664 0.0000 0.0000 52162.4223 -109009.6988 299.7782 -161172.1210 -108653.8516 300.4882 -347.4483 -320.3760 761865.3449 7.6664 7.7381 PRESSURE: 3797000 -110.041 47.4213 -187.724 47.4209 86.8142 -133.242 -187.724 -133.241 -324.856 GPRESSURE: 3797000 -97.7558 35.7582 -210.142 31.2398 122.961 -173.871 -77.4445 2.22871 -288.231 PRESSAVG: 3797000 -15.7588 -17.1628 -61.5404 -17.1629 20.7115 -52.7063 -61.5404 -52.7063 2.22622 GPRESSAVG: 3797000 -17.4276 -15.9495 -60.5378 -18.1971 22.1895 -54.7897 -62.6247 -50.2276 2.30346 TIMING: 3797000 CPU: 12307.8, 0.00397353/step Wall: 12307.8, 0.00397353/step, 1.32782 hours remaining, 233.679688 MB of memory in use. ENERGY: 3797000 3925.6973 20621.2923 14362.0990 247.5978 -203040.4491 2404.4703 0.0000 0.0000 52322.1767 -109157.1157 300.6963 -161479.2924 -108785.9482 300.1226 -116.0275 -87.6752 761923.3911 2.3929 2.3551 PRESSURE: 3797200 44.2911 -103.13 78.1043 -103.131 111.41 27.5533 78.1041 27.553 75.2311 GPRESSURE: 3797200 50.2686 -81.2866 90.7054 -95.3717 115.063 65.0373 17.8719 110.003 161.291 PRESSAVG: 3797200 4.46613 -22.133 -38.0814 -22.133 -25.3657 2.20929 -38.0813 2.20927 -9.14143 GPRESSAVG: 3797200 5.09196 -23.5168 -37.4599 -20.8881 -25.9896 2.60453 -37.4144 4.14255 -8.52637 TIMING: 3797200 CPU: 12308.6, 0.00400213/step Wall: 12308.6, 0.00400213/step, 1.33716 hours remaining, 233.679688 MB of memory in use. ENERGY: 3797200 3933.4503 20670.4673 14468.7699 240.1360 -203560.0787 2984.8000 0.0000 0.0000 51931.4483 -109331.0069 298.4507 -161262.4552 -108967.0610 299.7861 76.9774 108.8740 761046.2522 -10.0137 -9.8080 PRESSURE: 3797400 -3.28576 92.9871 -92.3023 92.9864 1.24935 104.816 -92.3017 104.817 -164.407 GPRESSURE: 3797400 41.1538 187.504 -176.742 35.8065 -37.1509 75.9378 -98.5337 56.2726 -78.0714 PRESSAVG: 3797400 -28.4073 -25.0875 36.8676 -25.0875 3.49525 -2.24737 36.8676 -2.24732 21.4452 GPRESSAVG: 3797400 -26.9161 -23.2336 36.2858 -25.6621 3.11242 -3.28928 35.7851 -3.55956 19.9187 TIMING: 3797400 CPU: 12309.4, 0.0039698/step Wall: 12309.4, 0.0039698/step, 1.32613 hours remaining, 233.679688 MB of memory in use. ENERGY: 3797400 3997.2251 20471.3851 14466.5957 271.4341 -203333.4086 2504.7022 0.0000 0.0000 52367.9882 -109254.0781 300.9595 -161622.0664 -108889.0104 299.9515 -55.4813 -24.6895 761143.1690 -1.1556 -1.2950 PRESSURE: 3797600 -329.8 -56.5169 -156.112 -56.5172 -304.723 112.996 -156.111 112.997 -964.041 GPRESSURE: 3797600 -346.349 3.82712 -215.062 -61.5516 -270.209 164.554 -134.231 108.259 -875.039 PRESSAVG: 3797600 1.22915 -12.7306 -13.0419 -12.7305 -2.40207 0.0367021 -13.0418 0.0367438 -10.5206 GPRESSAVG: 3797600 -0.40229 -13.5014 -14.3373 -14.1183 -2.2041 0.207633 -13.4575 -0.0663788 -9.16161 TIMING: 3797600 CPU: 12310.2, 0.00396862/step Wall: 12310.2, 0.00396862/step, 1.32552 hours remaining, 233.679688 MB of memory in use. ENERGY: 3797600 4119.2484 20503.1399 14391.8380 236.5002 -202393.2934 1917.0158 0.0000 0.0000 52093.5057 -109132.0453 299.3821 -161225.5510 -108774.3538 299.7564 -532.8547 -497.1989 762053.5432 -3.8978 -3.9227 PRESSURE: 3797800 375.718 10.5311 32.7441 10.5313 332.178 -283.831 32.7446 -283.832 157.614 GPRESSURE: 3797800 420.11 65.2637 25.8229 -34.6632 374.181 -302.641 23.8201 -265.599 162.258 PRESSAVG: 3797800 50.536 -9.04918 -3.40075 -9.0492 -44.2732 -8.67522 -3.40078 -8.6752 6.50851 GPRESSAVG: 3797800 50.3059 -8.05556 -3.61361 -9.68216 -44.3452 -9.46785 -2.74654 -7.23864 6.90504 TIMING: 3797800 CPU: 12311, 0.00396359/step Wall: 12311, 0.00396359/step, 1.32362 hours remaining, 233.679688 MB of memory in use. ENERGY: 3797800 3953.4110 20355.3687 14512.0315 243.5945 -202811.4714 2347.7468 0.0000 0.0000 52253.7457 -109145.5731 300.3030 -161399.3189 -108782.2970 299.9891 288.5033 318.8496 759099.0250 4.2571 4.2886 PRESSURE: 3798000 -151.525 -49.0424 157.784 -49.0429 26.227 -73.3129 157.784 -73.3126 160.932 GPRESSURE: 3798000 -99.9814 -38.0775 185.864 -31.0704 111.888 15.6867 24.1109 -39.9897 109.958 PRESSAVG: 3798000 49.334 -6.98637 -9.22559 -6.98635 -2.53789 -45.5738 -9.22562 -45.5739 -11.2805 GPRESSAVG: 3798000 49.6131 -7.79636 -8.76852 -6.17629 -1.19462 -44.297 -12.2198 -48.9318 -12.8729 TIMING: 3798000 CPU: 12311.8, 0.00394267/step Wall: 12311.8, 0.00394267/step, 1.31641 hours remaining, 233.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3798000 3964.6698 20422.3588 14413.5361 266.8722 -202922.5366 2309.6536 0.0000 0.0000 52313.9043 -109231.5419 300.6487 -161545.4462 -108867.1177 300.0151 11.8779 40.6217 759140.5527 11.8385 11.8485 PRESSURE: 3798200 256.374 34.5528 -51.3582 34.5533 -463.767 107.705 -51.3576 107.706 7.91702 GPRESSURE: 3798200 312.403 37.8033 16.3548 -74.1196 -414.084 31.5062 87.2854 -46.2029 9.22526 PRESSAVG: 3798200 15.8409 -1.85854 -14.2572 -1.85862 -28.6726 -49.1004 -14.2572 -49.1004 8.72637 GPRESSAVG: 3798200 16.2455 -0.185127 -14.3495 -3.71839 -28.8463 -48.963 -12.5568 -48.2512 8.92973 TIMING: 3798200 CPU: 12312.6, 0.00395684/step Wall: 12312.6, 0.00395684/step, 1.32092 hours remaining, 233.679688 MB of memory in use. ENERGY: 3798200 3951.1687 20382.1338 14518.9556 253.7420 -203265.2831 2692.8000 0.0000 0.0000 52162.8957 -109303.5873 299.7809 -161466.4831 -108942.7660 299.5609 -66.4919 -30.8186 759233.6648 -1.3684 -1.2237 PRESSURE: 3798400 26.5696 -114.993 79.5131 -114.994 191.349 -10.956 79.5126 -10.9548 406.585 GPRESSURE: 3798400 67.7872 -39.4793 121.378 -151.621 219.565 -6.18345 -11.1369 50.6973 430.129 PRESSAVG: 3798400 53.7501 -18.1607 -25.0309 -18.1606 -26.2373 -24.3636 -25.0309 -24.3636 -11.5906 GPRESSAVG: 3798400 53.3123 -19.0176 -24.5862 -16.5797 -25.362 -24.5196 -24.2736 -23.8882 -11.9164 TIMING: 3798400 CPU: 12313.3, 0.00396555/step Wall: 12313.3, 0.00396555/step, 1.32361 hours remaining, 233.679688 MB of memory in use. ENERGY: 3798400 3955.1691 20317.8454 14433.0615 245.0574 -203046.3028 2689.6349 0.0000 0.0000 51930.6240 -109474.9106 298.4460 -161405.5345 -109113.1377 298.6272 208.1679 239.1601 759668.9771 5.3074 5.3447 PRESSURE: 3798600 339.546 55.1816 6.26618 55.1822 -270.855 -46.0313 6.26581 -46.0296 109.152 GPRESSURE: 3798600 339.369 -4.35825 8.80023 170.829 -258.168 -7.88196 23.4559 -80.6944 168.841 PRESSAVG: 3798600 22.3146 -37.8938 46.225 -37.8938 -61.5615 -17.9291 46.225 -17.9291 -19.6987 GPRESSAVG: 3798600 22.0118 -37.8963 45.8316 -38.5389 -62.8079 -16.8182 47.2355 -19.0725 -18.6983 TIMING: 3798600 CPU: 12314.1, 0.00394495/step Wall: 12314.1, 0.00394495/step, 1.31652 hours remaining, 233.695312 MB of memory in use. ENERGY: 3798600 3947.5798 20319.1222 14461.5847 237.6433 -203217.6044 2917.2962 0.0000 0.0000 51901.7499 -109432.6282 298.2801 -161334.3782 -109067.5335 298.9065 59.2809 83.3474 761195.4277 -19.6485 -19.8315 PRESSURE: 3798800 243.497 46.9094 11.6485 46.9095 -3.33812 -13.6746 11.6484 -13.6748 -107.199 GPRESSURE: 3798800 185.874 -6.38991 68.8785 -31.0176 -1.01285 -62.2865 23.3437 -114.609 17.9652 PRESSAVG: 3798800 24.5635 37.406 -13.8514 37.4059 -48.4811 19.4519 -13.8514 19.4519 4.70736 GPRESSAVG: 3798800 23.1629 35.4483 -12.9005 37.0332 -48.9603 18.1417 -13.5691 21.0628 6.214 TIMING: 3798800 CPU: 12314.9, 0.00398885/step Wall: 12314.9, 0.00398885/step, 1.33095 hours remaining, 233.695312 MB of memory in use. ENERGY: 3798800 4000.9154 20660.1698 14432.1758 245.0718 -203430.6593 2644.9326 0.0000 0.0000 52194.1033 -109253.2907 299.9602 -161447.3940 -108898.5949 299.0911 44.3201 67.6087 760218.0704 -6.4034 -6.5278 PRESSURE: 3799000 106.467 71.91 -65.2906 71.9103 -398.808 -46.328 -65.2911 -46.3272 -262.564 GPRESSURE: 3799000 31.3638 -25.159 -88.6768 7.85909 -263.502 -50.0967 -51.9424 47.7191 -223.391 PRESSAVG: 3799000 -34.5857 36.4348 -1.05433 36.4348 -1.777 -58.4434 -1.05437 -58.4434 14.9582 GPRESSAVG: 3799000 -33.3595 36.6084 -1.62391 36.1089 -2.14673 -57.4673 -0.715572 -59.7315 14.0004 TIMING: 3799000 CPU: 12315.7, 0.00396333/step Wall: 12315.7, 0.00396333/step, 1.32221 hours remaining, 233.695312 MB of memory in use. ENERGY: 3799000 4058.5252 20533.5851 14511.1376 266.9888 -202825.1103 2201.5585 0.0000 0.0000 52004.6249 -109248.6901 298.8713 -161253.3150 -108882.6771 299.5768 -184.9683 -151.8433 761147.4442 -7.1348 -7.1686 PRESSURE: 3799200 -67.6901 -106.011 -76.5466 -106.012 -193.432 -147.687 -76.5462 -147.687 -345.944 GPRESSURE: 3799200 -72.6594 -60.8992 -126.808 -120.601 -127.708 -92.4684 -112.953 -72.4962 -319.635 PRESSAVG: 3799200 57.3601 14.3981 9.65614 14.3981 -34.9417 -10.7604 9.65615 -10.7604 4.61382 GPRESSAVG: 3799200 57.334 16.6852 9.9749 14.9426 -34.9953 -12.6722 8.61092 -8.87785 4.63044 TIMING: 3799200 CPU: 12316.5, 0.00398008/step Wall: 12316.5, 0.00398008/step, 1.32758 hours remaining, 233.695312 MB of memory in use. ENERGY: 3799200 3882.3544 20590.4145 14416.2961 253.7139 -202840.2390 2129.1776 0.0000 0.0000 52109.3095 -109458.9730 299.4729 -161568.2826 -109097.4073 299.7397 -202.3554 -173.3343 759337.5423 9.0108 8.9897 PRESSURE: 3799400 262.075 355.379 57.2125 355.379 228.978 -131.468 57.2133 -131.469 603.518 GPRESSURE: 3799400 253.747 198.904 97.3846 420.44 251.438 -162.362 -7.70282 -89.158 670.739 PRESSAVG: 3799400 -0.458623 50.8689 -26.3314 50.8689 -28.4878 31.5615 -26.3314 31.5614 -20.0796 GPRESSAVG: 3799400 0.193646 47.1158 -25.3757 52.4432 -28.844 33.4855 -26.5384 31.7435 -20.6195 TIMING: 3799400 CPU: 12317.3, 0.00396445/step Wall: 12317.3, 0.00396445/step, 1.32214 hours remaining, 233.695312 MB of memory in use. ENERGY: 3799400 3962.2652 20509.3583 14431.4480 256.2812 -203600.2859 2860.6195 0.0000 0.0000 51921.8845 -109658.4292 298.3958 -161580.3136 -109291.9197 299.2282 364.8571 391.9746 758657.1306 -16.3420 -16.4233 PRESSURE: 3799600 -64.2545 133.965 -257.466 133.964 -70.4791 -305.609 -257.465 -305.608 -49.561 GPRESSURE: 3799600 -34.3325 161.445 -235.294 121.532 -134.465 -276.814 -176.709 -276.28 63.9845 PRESSAVG: 3799600 18.9695 -26.1192 15.0221 -26.1192 1.58957 -22.3317 15.0221 -22.3317 21.2427 GPRESSAVG: 3799600 17.7867 -23.5218 12.2215 -26.3528 2.39265 -22.6421 17.1179 -24.8558 21.0641 TIMING: 3799600 CPU: 12318.1, 0.00395917/step Wall: 12318.1, 0.00395917/step, 1.32016 hours remaining, 233.695312 MB of memory in use. ENERGY: 3799600 4023.5148 20664.0323 14474.3420 270.0557 -203547.2171 2575.2568 0.0000 0.0000 51884.2007 -109655.8148 298.1792 -161540.0155 -109299.2393 298.5879 -61.4315 -34.9376 760918.3410 13.9339 13.7478 PRESSURE: 3799800 -99.0033 -114.921 48.1606 -114.921 376.847 -104.85 48.1611 -104.849 176.227 GPRESSURE: 3799800 8.22383 -150.985 80.7311 -167.966 407.632 -117.725 93.2566 -128.709 117.181 PRESSAVG: 3799800 -17.4825 4.93132 7.23335 4.93134 -32.9212 -23.0774 7.23334 -23.0774 -14.1137 GPRESSAVG: 3799800 -16.8585 3.45418 6.69553 4.00173 -32.588 -22.6302 7.668 -22.2564 -14.7249 TIMING: 3799800 CPU: 12318.9, 0.0039648/step Wall: 12318.9, 0.0039648/step, 1.32182 hours remaining, 233.695312 MB of memory in use. ENERGY: 3799800 3945.4484 20543.8724 14491.9893 248.1448 -203475.1567 2670.2227 0.0000 0.0000 52020.7122 -109554.7669 298.9637 -161575.4791 -109185.2806 298.8718 151.3567 177.6792 759208.1446 -21.5058 -21.3905 WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3800000 177.153 -151.56 387.762 -151.56 -187.94 43.1773 387.761 43.1767 256.701 GPRESSURE: 3800000 234.793 -154.831 353.953 -90.9152 -150.719 40.805 437.576 13.086 248.334 PRESSAVG: 3800000 44.278 -25.2892 23.7056 -25.2893 -29.4889 -10.8038 23.7055 -10.8038 -20.7787 GPRESSAVG: 3800000 44.1902 -24.518 24.2394 -26.1213 -29.1891 -10.713 23.6406 -10.5031 -21.0615 TIMING: 3800000 CPU: 12319.7, 0.00408729/step Wall: 12319.7, 0.00408729/step, 1.36243 hours remaining, 233.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3800000 4017.2421 20379.0212 14603.9303 249.8541 -203427.3055 2688.0938 0.0000 0.0000 51898.9645 -109590.1994 298.2641 -161489.1639 -109222.3824 298.9562 81.9714 110.8026 760421.4796 -1.9965 -2.0201 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 PRESSURE: 3800200 177.439 -27.1126 -57.1363 -27.113 306.837 101.001 -57.136 101.001 212.124 GPRESSURE: 3800200 206.215 -165.025 -76.6648 -75.3064 372.346 73.95 -103.294 -73.7153 211.879 PRESSAVG: 3800200 8.65095 0.487935 1.83455 0.487894 -16.5649 2.67185 1.8346 2.67183 -0.60783 GPRESSAVG: 3800200 8.84389 0.170442 2.47527 -0.87085 -17.5914 3.47893 0.881721 2.12288 0.3388 TIMING: 3800200 CPU: 12320.5, 0.00398976/step Wall: 12320.5, 0.00398976/step, 1.3297 hours remaining, 233.765625 MB of memory in use. ENERGY: 3800200 3894.8458 20538.0846 14454.9451 237.0046 -203714.5937 2794.6043 0.0000 0.0000 52189.4688 -109605.6405 299.9336 -161795.1093 -109237.8226 299.0851 232.1335 263.4800 760253.7432 -2.8406 -2.8029 LDB: ============= START OF LOAD BALANCING ============== 12333 LDB: ============== END OF LOAD BALANCING =============== 12333 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12333 LDB: ============= START OF LOAD BALANCING ============== 12333.4 LDB: Largest compute 7057 load 0.031227 is 16.1% of average load 0.193445 LDB: Average compute 0.004455 is 2.3% of average load 0.193445 LDB: TIME 12333.4 LOAD: AVG 0.193445 MAX 0.217089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.172 MB LDB: TIME 12333.4 LOAD: AVG 0.193445 MAX 0.217089 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.25 MB LDB: TIME 12333.4 LOAD: AVG 0.193445 MAX 0.211746 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.25 MB LDB: ============== END OF LOAD BALANCING =============== 12333.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12333.4 PRESSURE: 3800400 417.786 237.734 135.311 237.735 -122.326 23.6885 135.31 23.6883 87.5125 GPRESSURE: 3800400 371.784 203.694 142.798 346.554 -22.4622 -17.7992 -11.2555 9.30909 131.454 PRESSAVG: 3800400 28.097 -38.5157 -3.34734 -38.5156 -9.11476 -9.14559 -3.3473 -9.14556 -10.9829 GPRESSAVG: 3800400 27.0766 -38.7795 -3.09668 -36.341 -8.76058 -10.4377 -3.42824 -8.49865 -10.4366 TIMING: 3800400 CPU: 12321.3, 0.00403885/step Wall: 12321.3, 0.00403885/step, 1.34583 hours remaining, 232.800781 MB of memory in use. ENERGY: 3800400 3976.0967 20333.6543 14576.3552 253.4880 -203681.9844 2834.3155 0.0000 0.0000 51863.4265 -109844.6481 298.0598 -161708.0747 -109478.7911 299.0615 127.6577 160.2584 759412.3340 2.6665 2.6265 PRESSURE: 3800600 6.40531 -22.0472 -114.638 -22.0475 161.672 -114.472 -114.639 -114.472 125.566 GPRESSURE: 3800600 -36.6769 18.0752 -114.445 -57.2735 256.837 -78.7779 -60.4111 -175.226 162.127 PRESSAVG: 3800600 14.9242 -11.4616 -34.0068 -11.4615 -10.5825 -46.0067 -34.0068 -46.0067 -22.7777 GPRESSAVG: 3800600 15.3087 -10.5577 -35.2753 -11.6426 -9.92323 -46.2297 -33.8362 -45.7954 -23.333 TIMING: 3800600 CPU: 12322.1, 0.00395585/step Wall: 12322.1, 0.00395586/step, 1.31796 hours remaining, 232.800781 MB of memory in use. ENERGY: 3800600 4026.1910 20409.7437 14431.9445 239.3593 -203563.6058 2464.7359 0.0000 0.0000 52159.1129 -109832.5185 299.7591 -161991.6314 -109467.8452 298.5694 97.8812 127.4289 759172.3661 -6.1453 -5.9825 PRESSURE: 3800800 144.32 21.3217 -38.5085 21.3217 -97.6895 18.2843 -38.5081 18.2844 72.6167 GPRESSURE: 3800800 126.878 128.164 -37.231 -8.17838 -52.3448 -6.32107 -136.061 66.3788 139.025 PRESSAVG: 3800800 -12.2874 -51.7144 35.7193 -51.7144 40.7065 2.63664 35.7192 2.63663 15.4218 GPRESSAVG: 3800800 -12.2915 -50.0594 36.5782 -53.9599 40.3764 3.7432 34.3884 4.0634 15.9755 TIMING: 3800800 CPU: 12322.9, 0.00397582/step Wall: 12322.9, 0.00397582/step, 1.32439 hours remaining, 232.800781 MB of memory in use. ENERGY: 3800800 4011.2716 20514.5444 14555.3723 236.4314 -203853.2147 2799.5306 0.0000 0.0000 52175.9971 -109560.0674 299.8562 -161736.0645 -109200.6827 298.9817 39.7490 71.1862 760224.1467 14.6136 14.6868 PRESSURE: 3801000 -115.575 -137.332 -110.581 -137.332 -239.56 -243.206 -110.581 -243.205 -340.893 GPRESSURE: 3801000 -78.9529 -157.33 1.03493 -55.5975 -194.22 -338.976 -155.2 -274.713 -324.669 PRESSAVG: 3801000 21.0122 -26.1582 7.46404 -26.1582 -40.8498 26.5585 7.46408 26.5584 2.84021 GPRESSAVG: 3801000 22.6196 -28.2039 7.92978 -24.3929 -41.7414 25.1004 8.5036 24.8707 2.33963 TIMING: 3801000 CPU: 12323.7, 0.00398346/step Wall: 12323.7, 0.00398346/step, 1.32671 hours remaining, 232.871094 MB of memory in use. ENERGY: 3801000 4020.1707 20643.3995 14505.0417 256.6765 -203715.7942 2845.2571 0.0000 0.0000 51885.2442 -109560.0045 298.1852 -161445.2488 -109194.7034 298.7561 -232.0095 -199.2807 760191.8506 -5.6658 -5.5940 PRESSURE: 3801200 -125.805 -30.0217 -48.3704 -30.0214 41.703 303.817 -48.3694 303.816 14.9797 GPRESSURE: 3801200 -103.242 -48.3626 -69.3738 -67.2261 14.2083 322.011 -215.724 287.401 99.1987 PRESSAVG: 3801200 21.6315 7.14242 21.3816 7.14252 -20.2206 10.5183 21.3816 10.5184 -14.0651 GPRESSAVG: 3801200 21.6786 8.27817 20.6842 5.22927 -20.134 12.0346 20.5796 11.041 -14.2152 TIMING: 3801200 CPU: 12324.5, 0.00396954/step Wall: 12324.5, 0.00396954/step, 1.32186 hours remaining, 232.925781 MB of memory in use. ENERGY: 3801200 3994.3042 20591.7673 14487.4226 233.7901 -203300.9439 2634.8025 0.0000 0.0000 51843.1283 -109515.7289 297.9432 -161358.8572 -109159.5486 299.0887 -23.0409 3.3885 759907.3909 -4.2180 -4.2235 PRESSURE: 3801400 -45.7311 16.1187 75.0796 16.1192 -32.3037 37.141 75.0797 37.1413 144.877 GPRESSURE: 3801400 -39.9854 -2.35776 35.4413 18.5372 -45.1088 31.7272 91.4377 -0.00972692 229.804 PRESSAVG: 3801400 63.7688 0.0767988 -20.9516 0.076737 20.8843 -13.8062 -20.9516 -13.8062 1.60541 GPRESSAVG: 3801400 64.02 -0.566598 -21.6635 1.54286 20.685 -12.5126 -17.6897 -14.4576 1.43116 TIMING: 3801400 CPU: 12325.3, 0.00400109/step Wall: 12325.3, 0.00400109/step, 1.33214 hours remaining, 232.925781 MB of memory in use. ENERGY: 3801400 4029.2473 20516.2881 14399.7422 253.2407 -203693.7628 2614.5222 0.0000 0.0000 51934.4124 -109946.3099 298.4678 -161880.7223 -109580.2751 298.5866 22.2808 48.2367 758477.8858 28.7529 28.7120 PRESSURE: 3801600 -399.611 143.726 205.591 143.726 55.3149 116.935 205.592 116.935 -20.9069 GPRESSURE: 3801600 -275.919 -9.65308 188.202 164.172 100.234 232.45 74.5809 39.7536 -94.6489 PRESSAVG: 3801600 7.26851 28.5867 -4.4205 28.5867 -3.28182 47.6324 -4.42047 47.6324 12.4662 GPRESSAVG: 3801600 8.14731 27.0715 -2.49349 28.684 -3.62607 42.8364 -7.45366 50.5554 11.7087 TIMING: 3801600 CPU: 12326.1, 0.00398942/step Wall: 12326.1, 0.00398942/step, 1.32803 hours remaining, 232.925781 MB of memory in use. ENERGY: 3801600 3933.2932 20420.5575 14388.5107 251.7169 -204279.6288 2923.5024 0.0000 0.0000 52216.2164 -110145.8316 300.0873 -162362.0480 -109780.2923 298.3474 -121.7342 -90.1112 759164.0555 5.4843 5.4100 PRESSURE: 3801800 455.116 13.0899 -180.582 13.0891 46.2858 -74.1393 -180.582 -74.1384 130.786 GPRESSURE: 3801800 381.153 -85.0946 -121.124 69.4822 162.159 -66.2762 -146.687 -29.7438 164.944 PRESSAVG: 3801800 69.649 25.2164 -9.60112 25.2163 -63.1782 86.4835 -9.60108 86.4835 -1.653 GPRESSAVG: 3801800 68.1052 25.0424 -9.66057 25.623 -62.8232 89.548 -9.7163 83.8846 -0.924532 TIMING: 3801800 CPU: 12326.9, 0.00398349/step Wall: 12326.9, 0.00398349/step, 1.32584 hours remaining, 232.925781 MB of memory in use. ENERGY: 3801800 3992.6746 20390.5267 14421.2554 251.4467 -203731.2180 2867.3687 0.0000 0.0000 51988.3050 -109819.6410 298.7775 -161807.9460 -109453.5497 298.1218 210.7294 236.0854 759140.2351 1.6059 1.4525 PRESSURE: 3802000 -394.39 90.5369 108.709 90.5367 -471.126 -96.7023 108.709 -96.7026 13.7014 GPRESSURE: 3802000 -362.686 120.552 94.7676 174.905 -429.623 -137.457 1.32707 18.0848 1.51842 PRESSAVG: 3802000 33.5036 10.7214 -0.225393 10.7214 -22.5997 45.3153 -0.225395 45.3153 20.7498 GPRESSAVG: 3802000 34.2741 12.2032 -1.36798 10.7282 -23.4579 44.1808 0.135512 46.6115 20.4474 TIMING: 3802000 CPU: 12327.7, 0.00398/step Wall: 12327.7, 0.00398/step, 1.32446 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3802000 3946.1628 20543.4940 14401.0101 232.3868 -203623.0562 2633.5499 0.0000 0.0000 52049.0942 -109817.3584 299.1269 -161866.4526 -109454.8404 298.5320 -283.9381 -263.5969 760630.9888 10.5512 10.4212 PRESSURE: 3802200 289.638 -37.5749 -333.467 -37.5753 231.154 30.6614 -333.467 30.6604 -171.5 GPRESSURE: 3802200 424.046 -58.2883 -316.32 -57.232 210.395 -29.9186 -258.572 -49.869 -206.565 PRESSAVG: 3802200 43.8423 7.50733 24.7151 7.50734 -56.0023 13.0395 24.7152 13.0395 4.25798 GPRESSAVG: 3802200 44.9312 6.7777 25.714 6.90266 -57.1431 12.5922 24.8262 13.6699 4.45886 TIMING: 3802200 CPU: 12328.5, 0.00401351/step Wall: 12328.5, 0.00401351/step, 1.33538 hours remaining, 232.925781 MB of memory in use. ENERGY: 3802200 3921.4414 20293.8611 14465.1641 229.3519 -203538.2958 2808.0898 0.0000 0.0000 52049.4493 -109770.9381 299.1289 -161820.3874 -109405.4247 298.5214 116.4311 142.6253 760999.0516 -2.6340 -2.5843 PRESSURE: 3802400 -177.757 140.741 -397.795 140.741 -284.695 -104.451 -397.796 -104.451 -332.808 GPRESSURE: 3802400 -75.7606 56.0581 -339.102 197.156 -296.979 -43.1867 -198.216 -108.737 -315.984 PRESSAVG: 3802400 75.8405 9.73831 -53.2237 9.73831 -23.2575 -6.10024 -53.2237 -6.10021 -31.0268 GPRESSAVG: 3802400 74.7865 11.0152 -52.5796 11.0567 -23.0689 -6.35719 -53.3054 -6.37587 -29.4265 TIMING: 3802400 CPU: 12329.3, 0.00399693/step Wall: 12329.3, 0.00399693/step, 1.32965 hours remaining, 232.925781 MB of memory in use. ENERGY: 3802400 4019.9136 20454.8090 14465.7571 243.4322 -203074.1367 2347.7187 0.0000 0.0000 51782.0342 -109760.4720 297.5921 -161542.5062 -109406.2077 298.3300 -265.0867 -229.5747 760768.9639 7.1854 7.4303 PRESSURE: 3802600 -261.813 6.85858 37.1899 6.85849 138.163 83.3461 37.1905 83.3466 65.9618 GPRESSURE: 3802600 -130.939 -90.0152 35.632 103.272 66.4515 62.9728 72.1944 27.1848 86.1491 PRESSAVG: 3802600 60.5933 -10.0025 36.627 -10.0026 -50.8595 -18.9364 36.627 -18.9365 10.6598 GPRESSAVG: 3802600 61.8155 -9.51691 35.273 -10.9997 -50.931 -19.7652 38.2064 -18.4122 9.43299 TIMING: 3802600 CPU: 12330.1, 0.00401135/step Wall: 12330.1, 0.00401135/step, 1.33422 hours remaining, 232.925781 MB of memory in use. ENERGY: 3802600 3969.8787 20383.4702 14438.7267 234.6055 -203465.1419 2722.4023 0.0000 0.0000 51898.8608 -109817.1977 298.2635 -161716.0585 -109454.0866 297.9415 -19.2292 7.2206 762235.1760 6.7979 6.7725 PRESSURE: 3802800 -133.413 -36.0648 117.216 -36.0637 -468.313 -52.5413 117.215 -52.5404 -38.6672 GPRESSURE: 3802800 -62.5447 -58.3888 89.5202 -38.8267 -396.01 -36.3418 39.6242 -25.8404 -105.078 PRESSAVG: 3802800 54.094 28.6 32.7809 28.6 -23.6483 -30.6545 32.7808 -30.6544 -19.0834 GPRESSAVG: 3802800 52.7999 27.0974 33.2667 28.6579 -22.8873 -27.7328 31.525 -33.4417 -17.9731 TIMING: 3802800 CPU: 12330.9, 0.00399104/step Wall: 12330.9, 0.00399104/step, 1.32724 hours remaining, 232.925781 MB of memory in use. ENERGY: 3802800 3981.3729 20522.5298 14446.9545 245.6628 -203004.7445 2341.5525 0.0000 0.0000 51953.6393 -109513.0327 298.5783 -161466.6720 -109153.0065 298.3338 -213.4644 -187.8773 762664.3398 3.7875 3.9798 PRESSURE: 3803000 -122.459 -206.763 -205.043 -206.763 138.791 -21.9005 -205.043 -21.9004 357.705 GPRESSURE: 3803000 -28.4975 -193.7 -240.025 -129.802 154.591 -99.5963 -131.644 -142.136 336.724 PRESSAVG: 3803000 33.1399 30.2373 2.89908 30.2373 -37.6282 -42.5823 2.89906 -42.5822 11.7683 GPRESSAVG: 3803000 33.834 29.0619 2.86081 29.7594 -37.8343 -44.1956 4.78387 -41.8827 11.0099 TIMING: 3803000 CPU: 12331.7, 0.00396715/step Wall: 12331.7, 0.00396715/step, 1.31908 hours remaining, 232.925781 MB of memory in use. ENERGY: 3803000 3989.1586 20542.2736 14533.8333 239.1753 -203117.8490 2225.8776 0.0000 0.0000 52082.1662 -109505.3644 299.3169 -161587.5306 -109145.8351 298.8278 124.6788 154.2726 760155.4657 2.4266 2.3365 PRESSURE: 3803200 -95.7795 64.3864 44.4466 64.3865 -61.1053 -55.5236 44.4462 -55.523 -382.144 GPRESSURE: 3803200 -109.607 84.5841 42.4974 75.7875 -70.0097 -23.0509 20.4129 -176.246 -264.1 PRESSAVG: 3803200 42.6625 -32.1687 37.2296 -32.1687 -60.1332 46.5265 37.2296 46.5265 -3.21334 GPRESSAVG: 3803200 41.5167 -29.5143 38.3467 -31.1969 -59.0461 46.8433 34.5271 44.8072 -2.49662 TIMING: 3803200 CPU: 12332.5, 0.00397127/step Wall: 12332.5, 0.00397127/step, 1.32023 hours remaining, 232.925781 MB of memory in use. ENERGY: 3803200 4055.8938 20297.6871 14523.0445 236.5442 -203037.8664 2402.0200 0.0000 0.0000 51973.5600 -109549.1169 298.6928 -161522.6768 -109179.8115 298.8805 -179.6763 -147.9054 762475.0763 -6.8947 -6.6753 PRESSURE: 3803400 154.68 -6.56629 -6.48381 -6.56629 509.307 -182.511 -6.48362 -182.511 59.6605 GPRESSURE: 3803400 178.231 -58.1127 -20.3785 -65.1398 542.26 -148.578 -28.7076 -258.555 92.6602 PRESSAVG: 3803400 39.7388 -45.4111 24.2157 -45.411 -47.4235 5.21167 24.2156 5.21168 5.82035 GPRESSAVG: 3803400 41.7465 -47.8996 25.2508 -46.4671 -48.119 5.05562 25.0203 8.1688 4.90663 TIMING: 3803400 CPU: 12333.3, 0.0039781/step Wall: 12333.3, 0.0039781/step, 1.32228 hours remaining, 232.925781 MB of memory in use. ENERGY: 3803400 3886.5078 20309.5414 14469.8215 231.8013 -202837.8227 2322.8229 0.0000 0.0000 51926.0562 -109691.2716 298.4198 -161617.3278 -109341.9387 298.3399 241.2161 271.0503 761425.3747 -0.6215 -0.4886 PRESSURE: 3803600 -151.279 -193.523 105.534 -193.523 -205.907 -11.3703 105.535 -11.3712 -157.323 GPRESSURE: 3803600 -13.1025 -210.051 135.951 -89.0036 -183.206 -79.9259 126.814 15.4254 -210.598 PRESSAVG: 3803600 18.4207 -7.36865 -47.2258 -7.3686 -12.9725 -10.3581 -47.2257 -10.3581 3.90155 GPRESSAVG: 3803600 17.6887 -5.34572 -48.7765 -8.04743 -12.4331 -11.3554 -47.2941 -11.8226 4.44922 TIMING: 3803600 CPU: 12334.1, 0.00399564/step Wall: 12334.1, 0.00399564/step, 1.32788 hours remaining, 232.925781 MB of memory in use. ENERGY: 3803600 3943.6290 20407.2092 14521.3173 277.0046 -203038.1482 2352.5460 0.0000 0.0000 51773.6787 -109762.7635 297.5440 -161536.4422 -109404.8622 298.2887 -171.5030 -135.6357 761760.1578 3.1166 3.2349 PRESSURE: 3803800 192.979 45.4666 37.4022 45.467 114.589 -4.9266 37.4018 -4.92624 104.855 GPRESSURE: 3803800 148.495 151.004 15.2905 41.2488 159.324 -89.4005 4.4262 -60.1078 187.779 PRESSAVG: 3803800 28.7336 -46.0209 26.411 -46.021 0.629164 0.185954 26.411 0.185832 6.28525 GPRESSAVG: 3803800 27.8021 -48.3942 25.9273 -45.42 1.78564 1.68806 24.4368 -0.0651205 5.8139 TIMING: 3803800 CPU: 12334.9, 0.00399595/step Wall: 12334.9, 0.00399595/step, 1.32776 hours remaining, 232.925781 MB of memory in use. ENERGY: 3803800 3957.3967 20460.7037 14410.9856 245.5280 -203076.3542 2455.2310 0.0000 0.0000 51741.1756 -109805.3335 297.3572 -161546.5091 -109442.8811 297.8465 137.4742 165.1992 759950.0654 11.8827 11.8005 PRESSURE: 3804000 -94.1142 -376.189 -16.2089 -376.189 202.533 -87.4396 -16.2086 -87.4398 156.511 GPRESSURE: 3804000 -69.9789 -260.614 26.8053 -295.317 230.323 -177.876 -84.309 7.24422 176.338 PRESSAVG: 3804000 -12.3994 48.3291 -6.93856 48.3291 -23.6088 -28.1788 -6.9386 -28.1788 3.03815 GPRESSAVG: 3804000 -12.3199 49.9237 -8.29687 49.1067 -24.9767 -28.7537 -3.85175 -26.1531 4.62426 TIMING: 3804000 CPU: 12335.7, 0.00400524/step Wall: 12335.7, 0.00400524/step, 1.33063 hours remaining, 232.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3804000 3970.7488 20667.3083 14502.7707 240.0985 -203549.4463 2688.8813 0.0000 0.0000 51877.3317 -109602.3071 298.1397 -161479.6388 -109241.7414 298.1677 88.3100 112.2274 762266.4531 -10.9900 -10.8908 PRESSURE: 3804200 149.213 148.629 -174.938 148.629 203.447 243.372 -174.938 243.371 255.638 GPRESSURE: 3804200 131.695 78.0506 -105.134 153.916 259.205 227.12 -49.3929 199.933 291.955 PRESSAVG: 3804200 17.9015 -16.6128 24.848 -16.6128 -51.4756 -4.162 24.848 -4.16195 31.5261 GPRESSAVG: 3804200 17.3391 -17.2201 26.9175 -17.19 -50.2534 -4.75584 21.8818 -3.58993 31.0965 TIMING: 3804200 CPU: 12336.5, 0.00398267/step Wall: 12336.5, 0.00398267/step, 1.32291 hours remaining, 232.925781 MB of memory in use. ENERGY: 3804200 4008.2604 20434.9265 14499.2432 241.9029 -203383.9701 2722.3765 0.0000 0.0000 52043.6852 -109433.5754 299.0958 -161477.2605 -109075.6333 298.7950 202.7662 227.6183 761765.0848 -0.6827 -0.6059 LDB: ============= START OF LOAD BALANCING ============== 12349 LDB: ============== END OF LOAD BALANCING =============== 12349 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12349 LDB: ============= START OF LOAD BALANCING ============== 12349.4 LDB: Largest compute 7055 load 0.030176 is 15.6% of average load 0.193383 LDB: Average compute 0.004462 is 2.3% of average load 0.193383 LDB: TIME 12349.4 LOAD: AVG 0.193383 MAX 0.214772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.852 MB LDB: TIME 12349.4 LOAD: AVG 0.193383 MAX 0.214772 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: TIME 12349.4 LOAD: AVG 0.193383 MAX 0.214772 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: ============== END OF LOAD BALANCING =============== 12349.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12349.4 PRESSURE: 3804400 -90.0317 256.093 -111.359 256.093 176.621 -132.75 -111.359 -132.749 337.18 GPRESSURE: 3804400 -50.3456 267.933 -179.869 243.295 231.862 -120.945 -95.1139 -134.801 357.697 PRESSAVG: 3804400 29.6427 27.9676 -19.6055 27.9676 11.8107 -45.8011 -19.6055 -45.8011 -20.8927 GPRESSAVG: 3804400 29.8878 27.2237 -18.8755 27.0199 12.2746 -44.8106 -19.2826 -47.7214 -21.5489 TIMING: 3804400 CPU: 12337.3, 0.00406491/step Wall: 12337.3, 0.00406491/step, 1.35 hours remaining, 233.171875 MB of memory in use. ENERGY: 3804400 3944.3125 20662.3630 14494.9572 262.9423 -202924.4501 2315.7967 0.0000 0.0000 51917.6677 -109326.4108 298.3715 -161244.0785 -108972.9015 299.4202 141.2561 179.7381 762198.4304 6.8536 6.8712 PRESSURE: 3804600 -120.06 -109.432 145.296 -109.432 -27.5644 -97.0559 145.296 -97.0564 402.179 GPRESSURE: 3804600 -60.6761 -30.9842 141.509 -177.267 -12.8984 -108.255 221.734 23.9077 429.345 PRESSAVG: 3804600 18.8393 -4.9798 45.528 -4.97974 -6.00271 -27.0365 45.5279 -27.0366 9.16147 GPRESSAVG: 3804600 20.5918 -4.70605 44.0552 -4.4949 -7.13799 -27.2708 45.7535 -26.627 9.07897 TIMING: 3804600 CPU: 12338.1, 0.00400084/step Wall: 12338.1, 0.00400084/step, 1.3285 hours remaining, 233.171875 MB of memory in use. ENERGY: 3804600 3994.2077 20642.3184 14443.6434 267.7016 -203178.3569 2630.4987 0.0000 0.0000 51876.1674 -109323.8197 298.1330 -161199.9870 -108964.1503 299.5103 84.8518 118.5902 762146.6679 7.3327 7.5109 PRESSURE: 3804800 -173.924 77.8692 -80.6 77.8681 121.987 -106.325 -80.5992 -106.325 350.957 GPRESSURE: 3804800 -180.796 55.3367 -50.5753 19.3687 121.062 -106.428 -150.624 -91.2774 448.839 PRESSAVG: 3804800 7.7335 0.164721 27.9489 0.164766 20.7535 22.7366 27.9489 22.7367 -9.67173 GPRESSAVG: 3804800 7.95625 -1.21139 27.4038 1.16785 20.8374 22.6412 28.9614 22.8077 -9.62864 TIMING: 3804800 CPU: 12338.9, 0.00400189/step Wall: 12338.9, 0.00400189/step, 1.32863 hours remaining, 233.429688 MB of memory in use. ENERGY: 3804800 3938.5924 20640.3268 14500.5136 245.6690 -203088.5266 2543.0262 0.0000 0.0000 52153.4656 -109066.9329 299.7267 -161220.3985 -108710.6559 299.6763 99.6735 129.7017 761556.0377 6.2717 6.3884 PRESSURE: 3805000 260.682 176.703 -98.0893 176.703 -46.7443 -20.3556 -98.089 -20.3548 300.206 GPRESSURE: 3805000 292.451 81.6116 4.54598 35.8986 1.94389 -18.0458 -153.573 29.1751 311.214 PRESSAVG: 3805000 18.9676 51.6199 -25.2356 51.6199 -43.3205 -38.2137 -25.2357 -38.2138 19.4466 GPRESSAVG: 3805000 18.3633 53.3991 -23.092 49.3904 -42.5984 -38.3329 -26.7876 -38.0137 19.5333 TIMING: 3805000 CPU: 12339.7, 0.0039795/step Wall: 12339.7, 0.0039795/step, 1.32097 hours remaining, 233.429688 MB of memory in use. ENERGY: 3805000 4031.1194 20719.1309 14509.0947 235.1531 -203303.3248 2590.5957 0.0000 0.0000 52192.9501 -109025.2809 299.9536 -161218.2310 -108665.1732 300.1308 171.3814 201.8696 761647.6975 -1.6354 -1.5672 PRESSURE: 3805200 225.644 -179.047 186.577 -179.047 36.1928 -4.79714 186.577 -4.7975 389.804 GPRESSURE: 3805200 181.593 -92.2649 127.122 -66.6335 79.489 -51.1844 46.6112 31.473 472.503 PRESSAVG: 3805200 -19.8579 -16.6352 -0.0886639 -16.6352 -12.9621 20.9338 -0.0886812 20.9338 -15.9884 GPRESSAVG: 3805200 -20.0013 -17.7086 -1.69398 -14.6631 -12.8269 19.9054 0.901504 21.7673 -15.9465 TIMING: 3805200 CPU: 12340.5, 0.00399929/step Wall: 12340.5, 0.00399929/step, 1.32732 hours remaining, 233.429688 MB of memory in use. ENERGY: 3805200 4040.3469 20654.0660 14527.4713 214.1506 -203518.8232 2739.0472 0.0000 0.0000 52463.6125 -108880.1287 301.5091 -161343.7412 -108517.7040 300.8242 217.2135 244.5285 760371.1942 -16.2695 -16.2582 PRESSURE: 3805400 -58.5474 -172.548 -60.5262 -172.548 -116.252 -160.387 -60.5258 -160.387 256.55 GPRESSURE: 3805400 -8.23067 -130.219 -20.156 -19.7517 -70.9867 -207.794 -25.5861 -161.501 236.625 PRESSAVG: 3805400 32.4773 10.9298 -1.42897 10.9298 0.685788 6.20484 -1.42893 6.20488 -7.33061 GPRESSAVG: 3805400 31.2005 10.215 -1.85082 11.7097 0.197884 8.40589 -0.397446 6.05633 -6.52147 TIMING: 3805400 CPU: 12341.3, 0.00400427/step Wall: 12341.3, 0.00400427/step, 1.32875 hours remaining, 233.500000 MB of memory in use. ENERGY: 3805400 3931.7774 20666.1968 14539.1614 233.5102 -203057.2533 2263.2144 0.0000 0.0000 52369.6892 -109053.7038 300.9693 -161423.3930 -108695.8633 300.3999 27.2501 52.4693 761668.5489 8.6108 8.2923 PRESSURE: 3805600 -367.353 55.8032 -59.5287 55.803 14.1453 107.081 -59.528 107.08 -65.1085 GPRESSURE: 3805600 -289.722 61.3936 -98.5101 -4.32887 5.02485 87.5336 -11.6826 98.1146 -20.162 PRESSAVG: 3805600 47.4717 32.0867 -32.9249 32.0867 -47.9597 5.9803 -32.9249 5.98031 22.8484 GPRESSAVG: 3805600 47.9464 33.6132 -33.2363 32.2625 -46.5147 4.57423 -31.6812 5.09103 20.992 TIMING: 3805600 CPU: 12342.1, 0.00400446/step Wall: 12342.1, 0.00400446/step, 1.32859 hours remaining, 233.500000 MB of memory in use. ENERGY: 3805600 3875.2156 20585.8513 14499.7132 235.8463 -202603.5736 2101.3958 0.0000 0.0000 52054.1623 -109251.3893 299.1560 -161305.5516 -108891.9501 299.9612 -139.4387 -101.6197 761935.9581 7.4535 7.4746 PRESSURE: 3805800 -79.0713 -149.281 -152.586 -149.282 201.714 -244.576 -152.586 -244.577 -30.643 GPRESSURE: 3805800 -40.0877 -133.597 -110.844 -163.068 159.586 -245.604 -31.7109 -245.682 51.3983 PRESSAVG: 3805800 -35.0884 3.4657 -37.1512 3.4657 31.2523 -51.7599 -37.1511 -51.7599 13.6437 GPRESSAVG: 3805800 -34.6998 3.75375 -37.7682 3.68623 31.5274 -52.1946 -37.9649 -52.4847 13.0743 TIMING: 3805800 CPU: 12342.9, 0.00399563/step Wall: 12342.9, 0.00399563/step, 1.32544 hours remaining, 233.500000 MB of memory in use. ENERGY: 3805800 4012.6582 20651.3886 14587.6947 251.5493 -203183.3060 2382.4683 0.0000 0.0000 52159.2582 -109138.2888 299.7600 -161297.5470 -108756.6990 299.9556 30.6666 56.9656 761186.9178 3.2692 3.3006 PRESSURE: 3806000 21.3892 35.4569 195.779 35.4573 65.6286 177.909 195.779 177.909 265.732 GPRESSURE: 3806000 79.262 18.9873 228.579 -9.74922 79.7719 264.168 221.705 205.29 246.397 PRESSAVG: 3806000 -3.35348 23.7859 -1.80899 23.7858 -25.5652 23.2559 -1.80896 23.2559 17.4607 GPRESSAVG: 3806000 -4.63982 23.364 -0.00985455 22.9422 -26.0868 22.5009 -3.9645 26.9243 18.6757 TIMING: 3806000 CPU: 12343.7, 0.00398446/step Wall: 12343.7, 0.00398446/step, 1.32151 hours remaining, 233.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3806000 3971.2986 20618.8022 14497.1873 258.0085 -203486.7424 2620.3041 0.0000 0.0000 52331.7298 -109189.4118 300.7512 -161521.1416 -108819.9934 300.0951 117.5833 135.1435 760738.7349 -3.8193 -4.0170 PRESSURE: 3806200 237.807 54.144 14.8006 54.1444 67.3823 216.422 14.8015 216.421 207.304 GPRESSURE: 3806200 308.29 -13.5856 30.4837 152.998 57.103 195.393 13.3903 163.165 218.53 PRESSAVG: 3806200 17.431 -24.6386 37.4525 -24.6386 -18.0279 49.4814 37.4525 49.4815 -11.297 GPRESSAVG: 3806200 18.6068 -24.6696 35.0899 -24.2418 -18.5884 52.1191 38.9041 46.461 -11.7129 TIMING: 3806200 CPU: 12344.5, 0.00400721/step Wall: 12344.5, 0.00400721/step, 1.32884 hours remaining, 233.500000 MB of memory in use. ENERGY: 3806200 3951.3146 20602.8962 14550.5431 249.7428 -203387.4238 2840.4768 0.0000 0.0000 51902.4585 -109289.9917 298.2841 -161192.4502 -108931.0679 299.8664 170.8310 194.6408 761068.7446 -3.9646 -3.8982 PRESSURE: 3806400 -67.3679 -71.3531 37.5927 -71.3539 -50.4309 146.116 37.5926 146.116 13.5497 GPRESSURE: 3806400 -48.7022 -108.086 62.0998 24.2293 15.751 114.934 109.627 67.8291 31.8193 PRESSAVG: 3806400 57.8869 7.48119 9.56018 7.4812 -43.3165 34.2502 9.56019 34.2502 9.89019 GPRESSAVG: 3806400 57.4189 8.19306 11.6877 7.45047 -42.0508 34.1163 10.3219 34.0345 8.80283 TIMING: 3806400 CPU: 12345.3, 0.00396995/step Wall: 12345.3, 0.00396995/step, 1.31626 hours remaining, 233.500000 MB of memory in use. ENERGY: 3806400 3985.1099 20599.8620 14510.7264 249.6096 -203263.5485 2531.0973 0.0000 0.0000 52036.1788 -109350.9645 299.0526 -161387.1433 -108987.9868 299.9689 -34.7497 -0.3773 760951.5489 8.1535 8.0570 PRESSURE: 3806600 -25.1568 -70.1674 78.112 -70.167 163.586 27.197 78.1123 27.1969 -29.3495 GPRESSURE: 3806600 30.5672 -102.399 105.075 -162.699 166.392 -20.6791 93.7159 130.364 -14.1748 PRESSAVG: 3806600 41.9969 -30.2239 18.4172 -30.224 -62.3602 25.1646 18.4172 25.1647 -9.40666 GPRESSAVG: 3806600 43.5798 -32.0554 17.2972 -30.1934 -63.1424 22.8432 17.9449 26.6372 -9.8501 TIMING: 3806600 CPU: 12346.1, 0.00396391/step Wall: 12346.1, 0.00396391/step, 1.31404 hours remaining, 233.500000 MB of memory in use. ENERGY: 3806600 4009.7078 20504.0069 14517.6797 270.7776 -203879.9547 2794.3448 0.0000 0.0000 51971.3142 -109812.1238 298.6799 -161783.4380 -109451.3352 299.2244 36.3597 60.9282 760579.2938 -9.9233 -9.8042 PRESSURE: 3806800 -73.9615 -117.389 31.5362 -117.389 155.861 34.1018 31.5368 34.1023 62.1885 GPRESSURE: 3806800 53.7434 -168.788 60.7781 -19.0191 145.971 10.7444 95.2163 206.875 27.2698 PRESSAVG: 3806800 25.8235 -15.2258 0.0189533 -15.2258 -7.3029 28.6031 0.0188927 28.603 -8.77503 GPRESSAVG: 3806800 25.7439 -15.4939 1.1852 -16.6352 -8.5707 27.7626 0.515518 28.6056 -7.44079 TIMING: 3806800 CPU: 12346.9, 0.00396125/step Wall: 12346.9, 0.00396125/step, 1.31293 hours remaining, 233.500000 MB of memory in use. ENERGY: 3806800 3972.4592 20420.7629 14539.9415 256.7825 -203516.7560 2672.3317 0.0000 0.0000 51910.4924 -109743.9858 298.3303 -161654.4782 -109379.4789 298.2738 48.0295 75.6613 760241.0800 3.2485 3.2441 PRESSURE: 3807000 98.5718 173.182 -303.637 173.182 -429.23 -88.3597 -303.638 -88.3586 35.9753 GPRESSURE: 3807000 37.5356 110.174 -327.866 86.0853 -345.704 -115.635 -205.077 -27.2952 109.391 PRESSAVG: 3807000 53.4716 -38.5726 -4.57663 -38.5726 -68.372 25.7508 -4.57666 25.7508 -4.75379 GPRESSAVG: 3807000 53.5752 -40.387 -5.26631 -35.8193 -68.5969 27.7827 -5.82664 25.516 -4.27135 TIMING: 3807000 CPU: 12347.6, 0.00394189/step Wall: 12347.6, 0.00394189/step, 1.3063 hours remaining, 233.500000 MB of memory in use. ENERGY: 3807000 3987.4284 20529.6841 14466.3005 236.1016 -203693.8296 2561.4620 0.0000 0.0000 52017.5340 -109895.3190 298.9455 -161912.8530 -109532.2282 298.8830 -98.2276 -66.2592 761641.7686 -6.5514 -6.4310 PRESSURE: 3807200 -218.608 -15.6542 263.212 -15.6546 -103.145 -65.2198 263.213 -65.2205 -42.6689 GPRESSURE: 3807200 -194.587 73.7223 291.84 103.137 -17.2316 -83.2615 275.206 -188.067 -61.4592 PRESSAVG: 3807200 29.2237 -1.8722 -3.4777 -1.87221 -33.9783 17.7937 -3.47772 17.7938 8.00132 GPRESSAVG: 3807200 28.4119 0.725204 -2.72195 -3.41016 -32.3269 17.186 -4.56532 17.2143 7.21893 TIMING: 3807200 CPU: 12348.4, 0.00400007/step Wall: 12348.4, 0.00400007/step, 1.32536 hours remaining, 233.500000 MB of memory in use. ENERGY: 3807200 3964.5847 20627.1357 14524.3928 263.4680 -203448.2851 2384.6675 0.0000 0.0000 51845.7553 -109838.2810 297.9583 -161684.0363 -109473.5481 298.7400 -121.4737 -91.0925 761788.9987 1.0822 1.1013 PRESSURE: 3807400 -7.91387 -450.243 -319.2 -450.243 137.384 64.668 -319.2 64.6683 -12.2952 GPRESSURE: 3807400 92.7051 -386.685 -398.144 -463.24 165.41 78.6675 -224.789 19.9616 -62.458 PRESSAVG: 3807400 1.45084 -22.6974 -16.7876 -22.6974 32.2175 15.333 -16.7875 15.333 -16.7503 GPRESSAVG: 3807400 1.46093 -23.168 -16.8882 -22.0013 33.5851 16.5671 -17.012 15.4678 -17.8695 TIMING: 3807400 CPU: 12349.2, 0.00400385/step Wall: 12349.2, 0.00400385/step, 1.32639 hours remaining, 233.500000 MB of memory in use. ENERGY: 3807400 4035.2497 20606.9581 14394.1666 237.7706 -203632.6974 2612.8869 0.0000 0.0000 51730.9581 -110014.7074 297.2985 -161745.6655 -109663.4452 297.9754 39.0583 65.2191 761332.8327 5.6393 5.7255 PRESSURE: 3807600 206.343 -99.0453 -14.7848 -99.0445 191.981 179.277 -14.7857 179.278 690.744 GPRESSURE: 3807600 246.394 -170.418 0.108406 -42.8591 163.355 135.351 93.6683 215.837 755.464 PRESSAVG: 3807600 -23.5342 -43.9741 -64.1952 -43.9741 44.3316 48.5411 -64.1952 48.5412 13.6206 GPRESSAVG: 3807600 -23.4103 -44.8507 -65.0547 -45.2036 43.2884 47.3011 -63.6552 48.525 14.8666 TIMING: 3807600 CPU: 12350.1, 0.00404116/step Wall: 12350.1, 0.00404116/step, 1.33852 hours remaining, 233.500000 MB of memory in use. ENERGY: 3807600 3961.1836 20404.8351 14510.9617 226.8373 -203989.4531 3003.7562 0.0000 0.0000 51911.0477 -109970.8315 298.3335 -161881.8792 -109606.2214 298.0371 363.0222 388.4047 759453.0400 11.4727 11.5816 PRESSURE: 3807800 -458.857 -86.2639 75.1519 -86.264 -119.28 -1.26034 75.152 -1.26051 -254.809 GPRESSURE: 3807800 -283.803 -56.5539 14.7319 -12.2847 -127.785 -24.366 113.625 125.728 -310.978 PRESSAVG: 3807800 14.9192 -10.6097 -9.01458 -10.6097 17.7592 67.6224 -9.01452 67.6223 21.836 GPRESSAVG: 3807800 14.942 -9.66157 -9.64247 -10.9616 17.703 66.4957 -8.07036 70.3855 21.8158 TIMING: 3807800 CPU: 12350.9, 0.00396491/step Wall: 12350.9, 0.00396491/step, 1.31305 hours remaining, 233.570312 MB of memory in use. ENERGY: 3807800 3965.1679 20462.7278 14444.9499 252.2526 -203736.1768 2727.4386 0.0000 0.0000 51707.7192 -110175.9208 297.1650 -161883.6399 -109818.7540 297.7072 -277.6489 -240.8555 760696.6673 18.1715 18.1536 PRESSURE: 3808000 73.1895 -48.9731 -53.476 -48.9738 -222.084 -343.453 -53.4755 -343.452 61.8183 GPRESSURE: 3808000 49.1322 98.6653 -92.0228 -96.0503 -162.011 -393.366 5.1182 -351.936 105.496 PRESSAVG: 3808000 11.2473 6.49289 -9.93292 6.49283 4.92821 4.06856 -9.93286 4.06858 -24.54 GPRESSAVG: 3808000 11.3606 6.03601 -9.65982 5.72688 5.37869 4.09035 -10.9886 2.12326 -24.964 TIMING: 3808000 CPU: 12351.6, 0.00398293/step Wall: 12351.6, 0.00398293/step, 1.31879 hours remaining, 233.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3808000 3944.4775 20363.0852 14387.1617 251.1742 -203550.4834 2620.4729 0.0000 0.0000 51939.1961 -110044.9158 298.4953 -161984.1119 -109683.8781 298.1482 -29.0254 -2.4608 759943.1987 -2.7882 -2.7416 PRESSURE: 3808200 -306.192 -85.2744 210.42 -85.2745 -377.623 -2.38995 210.421 -2.39124 -2.31573 GPRESSURE: 3808200 -333.551 29.018 214.529 -163.403 -321.811 47.6483 85.0412 -25.157 45.7443 PRESSAVG: 3808200 -6.99938 -18.1217 -11.1042 -18.1218 -1.27567 -15.5204 -11.1042 -15.5204 17.958 GPRESSAVG: 3808200 -8.14559 -17.404 -11.3557 -15.5892 -0.987282 -12.988 -11.516 -16.1949 19.3144 TIMING: 3808200 CPU: 12352.4, 0.00397541/step Wall: 12352.4, 0.00397541/step, 1.31608 hours remaining, 233.570312 MB of memory in use. ENERGY: 3808200 3925.9671 20564.6854 14471.1232 251.1442 -202603.8599 2122.2158 0.0000 0.0000 51660.6266 -109608.0977 296.8943 -161268.7243 -109249.8994 298.3996 -228.7101 -203.2060 761045.4975 3.2277 3.3938 LDB: ============= START OF LOAD BALANCING ============== 12364.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12364.9 LDB: =============== DONE WITH MIGRATION ================ 12364.9 LDB: ============= START OF LOAD BALANCING ============== 12365.4 LDB: Largest compute 7068 load 0.032281 is 16.7% of average load 0.193448 LDB: Average compute 0.004450 is 2.3% of average load 0.193448 LDB: TIME 12365.4 LOAD: AVG 0.193448 MAX 0.211816 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.883 MB LDB: TIME 12365.4 LOAD: AVG 0.193448 MAX 0.211816 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.992 MB LDB: TIME 12365.4 LOAD: AVG 0.193448 MAX 0.211816 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.992 MB LDB: ============== END OF LOAD BALANCING =============== 12365.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12365.4 PRESSURE: 3808400 200.594 -68.1946 33.6284 -68.1947 204.113 -141.355 33.6282 -141.354 -75.8079 GPRESSURE: 3808400 253.908 -188.499 131.354 46.0702 243.112 -154.974 93.6618 -186.263 -76.4338 PRESSAVG: 3808400 -7.49598 -30.6641 31.3004 -30.664 -8.1793 4.94175 31.3003 4.94175 1.27317 GPRESSAVG: 3808400 -6.92773 -30.6605 31.5288 -30.8843 -8.1362 5.37224 34.6302 3.8255 0.735811 TIMING: 3808400 CPU: 12353.3, 0.00407697/step Wall: 12353.3, 0.00407697/step, 1.34948 hours remaining, 234.593750 MB of memory in use. ENERGY: 3808400 4028.8614 20433.2886 14521.9874 240.2280 -203223.9309 2531.5471 0.0000 0.0000 51910.8589 -109557.1594 298.3324 -161468.0184 -109206.7083 298.9437 109.6329 140.1951 760662.3569 -4.8007 -4.7760 PRESSURE: 3808600 54.9514 -76.3248 36.1204 -76.3253 -230.603 209.305 36.1209 209.305 3.10323 GPRESSURE: 3808600 71.7232 -53.7346 69.7574 -90.6014 -140.443 190.987 21.7739 159.344 -19.0786 PRESSAVG: 3808600 39.0139 2.5062 6.88051 2.50624 -19.1432 -1.85744 6.88047 -1.8574 5.64813 GPRESSAVG: 3808600 39.1227 2.298 5.77023 1.18199 -19.1539 -1.49101 7.18406 -2.08846 5.2193 TIMING: 3808600 CPU: 12354.1, 0.00397693/step Wall: 12354.1, 0.00397693/step, 1.31614 hours remaining, 235.050781 MB of memory in use. ENERGY: 3808600 3949.6452 20136.8949 14434.6659 247.6411 -203283.3532 2526.7140 0.0000 0.0000 52367.1883 -109620.6037 300.9550 -161987.7921 -109244.5002 299.0914 -57.5163 -29.2663 760875.5873 8.5063 8.3960 PRESSURE: 3808800 -79.654 160.879 -11.0887 160.88 -85.9745 -180.18 -11.0886 -180.18 32.1331 GPRESSURE: 3808800 -47.0183 26.7155 -32.2192 90.3434 -81.773 -318.682 -119.475 -182.056 92.4729 PRESSAVG: 3808800 -3.64576 20.4444 -21.0645 20.4444 -35.0825 17.83 -21.0646 17.83 -19.1083 GPRESSAVG: 3808800 -3.93245 19.4973 -21.0644 21.189 -35.1426 14.4979 -24.061 20.879 -18.7656 TIMING: 3808800 CPU: 12354.9, 0.00399713/step Wall: 12354.9, 0.00399713/step, 1.32261 hours remaining, 235.050781 MB of memory in use. ENERGY: 3808800 4003.4830 20466.9397 14393.1262 258.3592 -203290.6158 2515.8599 0.0000 0.0000 52148.9056 -109503.9423 299.7005 -161652.8479 -109148.0864 298.8318 -44.4984 -12.1061 759277.0260 -19.2789 -19.2802 PRESSURE: 3809000 281.198 292.056 -99.9238 292.057 -49.3101 -41.3734 -99.9234 -41.3746 -286.746 GPRESSURE: 3809000 211.882 177.585 -121.607 278.103 62.8898 -103.85 -99.9346 23.7267 -258.992 PRESSAVG: 3809000 0.134758 16.981 36.0646 16.9811 32.9754 -31.6511 36.0646 -31.6511 -13.2748 GPRESSAVG: 3809000 -0.815465 17.771 36.2204 17.0818 33.7639 -31.8857 36.912 -32.7616 -12.6149 TIMING: 3809000 CPU: 12355.7, 0.00402589/step Wall: 12355.7, 0.00402589/step, 1.3319 hours remaining, 235.050781 MB of memory in use. ENERGY: 3809000 4010.9607 20335.8532 14441.8665 243.3102 -202964.9747 2446.9903 0.0000 0.0000 52138.2382 -109347.7555 299.6392 -161485.9937 -108993.4133 299.3248 -18.2859 5.2599 759369.0331 6.6118 6.7778 PRESSURE: 3809200 -74.3979 -102.879 -29.0795 -102.879 -28.099 90.9274 -29.0798 90.9273 568.342 GPRESSURE: 3809200 -91.644 -46.8214 -87.2695 -81.6867 45.895 86.7915 -31.5435 152.173 597.091 PRESSAVG: 3809200 25.3883 -29.3016 -19.2246 -29.3016 -24.5568 -13.9508 -19.2247 -13.9508 2.95965 GPRESSAVG: 3809200 26.1819 -29.5899 -18.5629 -30.9197 -24.4144 -14.8042 -19.0279 -11.6414 1.73059 TIMING: 3809200 CPU: 12356.5, 0.00402505/step Wall: 12356.5, 0.00402505/step, 1.3314 hours remaining, 235.050781 MB of memory in use. ENERGY: 3809200 4005.8798 20416.5278 14445.3802 225.0826 -202988.3603 2510.8331 0.0000 0.0000 52032.4857 -109352.1711 299.0314 -161384.6568 -108994.8516 299.4773 155.2816 183.7806 760467.5476 1.2637 1.1660 PRESSURE: 3809400 28.4007 -68.5284 -198.465 -68.5284 -49.0315 31.4267 -198.465 31.4271 -304.241 GPRESSURE: 3809400 111.165 12.853 -223.211 -72.4337 -62.7756 7.84741 -118.911 108.281 -279.965 PRESSAVG: 3809400 -17.8167 19.06 -10.172 19.06 -7.75984 -20.0596 -10.172 -20.0596 2.98645 GPRESSAVG: 3809400 -17.2227 21.1671 -9.55484 18.8701 -9.03347 -17.9577 -9.64192 -22.4825 4.171 TIMING: 3809400 CPU: 12357.3, 0.00400634/step Wall: 12357.3, 0.00400634/step, 1.32498 hours remaining, 235.050781 MB of memory in use. ENERGY: 3809400 3993.5308 20394.3931 14523.2424 246.3872 -203354.0156 2772.2380 0.0000 0.0000 52154.2473 -109269.9768 299.7312 -161424.2242 -108904.8264 299.7114 -108.2905 -77.1917 760719.9343 -7.5300 -7.3617 PRESSURE: 3809600 -77.0358 -140.106 66.5974 -140.106 -215.507 147.782 66.598 147.781 38.1748 GPRESSURE: 3809600 -8.54706 -61.8207 0.333206 -217.841 -154.836 113.635 138.55 77.8803 0.675766 PRESSAVG: 3809600 49.6389 -38.6779 -21.0438 -38.6779 -18.9046 54.7822 -21.0438 54.7822 -11.7651 GPRESSAVG: 3809600 49.4314 -39.5663 -21.7217 -37.2878 -18.9951 54.3488 -23.3818 54.3796 -11.9112 TIMING: 3809600 CPU: 12358.1, 0.00399531/step Wall: 12358.1, 0.00399531/step, 1.32112 hours remaining, 235.050781 MB of memory in use. ENERGY: 3809600 3989.3989 20456.9220 14446.1967 237.3187 -203285.4112 2595.0540 0.0000 0.0000 52228.1276 -109332.3934 300.1558 -161560.5210 -108988.6050 299.1833 -84.7893 -54.2358 761051.6694 6.3231 6.1750 PRESSURE: 3809800 1.45305 -274.732 36.9623 -274.732 -360.27 67.6872 36.962 67.6883 -91.3903 GPRESSURE: 3809800 -87.4882 -271.878 50.9544 -166.905 -266.789 118.482 14.9903 154.466 -4.11241 PRESSAVG: 3809800 -16.0681 12.7723 -40.8971 12.7722 -19.378 9.84577 -40.897 9.84577 -8.80468 GPRESSAVG: 3809800 -17.0921 11.1054 -41.2718 12.9653 -18.4099 9.62798 -39.5742 9.89249 -8.71945 TIMING: 3809800 CPU: 12358.9, 0.00398747/step Wall: 12358.9, 0.00398747/step, 1.3183 hours remaining, 235.050781 MB of memory in use. ENERGY: 3809800 4017.7869 20459.5863 14468.1580 236.3040 -202826.7512 2363.8731 0.0000 0.0000 51849.7806 -109431.2622 297.9814 -161281.0428 -109072.7192 299.2174 -150.0692 -119.4632 762537.1024 -14.7503 -14.7405 PRESSURE: 3810000 297.652 95.9332 221.75 95.9325 -118.292 18.0633 221.75 18.063 -297.797 GPRESSURE: 3810000 316.503 43.3934 190.768 138.185 -53.2681 52.3298 151.333 179.683 -316.438 PRESSAVG: 3810000 25.3248 0.342081 32.09 0.34211 -20.0305 1.89752 32.09 1.89746 7.52612 GPRESSAVG: 3810000 26.62 1.31072 33.4768 0.337371 -20.4686 2.70389 30.9116 2.96573 6.78106 TIMING: 3810000 CPU: 12359.7, 0.00396127/step Wall: 12359.7, 0.00396127/step, 1.30942 hours remaining, 235.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3810000 3949.8832 20521.6231 14458.6740 267.5073 -203064.4964 2363.7478 0.0000 0.0000 51983.4026 -109519.6583 298.7493 -161503.0609 -109160.1884 298.5912 -39.4791 -17.7342 761338.0997 4.2735 4.3108 PRESSURE: 3810200 0.260045 339.04 139.389 339.04 -73.4232 27.1401 139.388 27.1389 203.055 GPRESSURE: 3810200 27.8584 346.608 144.374 210.802 -77.7163 -6.84218 112.983 -9.94661 239.868 PRESSAVG: 3810200 3.16706 52.4864 40.5557 52.4864 -23.2892 9.93523 40.5558 9.93521 -2.15703 GPRESSAVG: 3810200 2.7068 52.9454 39.9392 50.634 -24.383 9.70921 40.5726 9.74138 -1.04398 TIMING: 3810200 CPU: 12360.4, 0.0039667/step Wall: 12360.4, 0.0039667/step, 1.31099 hours remaining, 235.050781 MB of memory in use. ENERGY: 3810200 3990.2968 20514.4423 14518.2255 262.8891 -203015.9648 2350.6466 0.0000 0.0000 51903.6262 -109475.8383 298.2909 -161379.4645 -109123.4450 298.9930 43.2974 63.3367 761962.4680 -7.4264 -7.5734 PRESSURE: 3810400 -18.2481 3.54458 -99.3281 3.5455 404.389 265.236 -99.3286 265.237 -195.741 GPRESSURE: 3810400 44.5057 -7.07294 25.7616 47.604 438.606 298.402 -200.182 175.524 -196.85 PRESSAVG: 3810400 -16.971 31.0809 -31.4678 31.0809 35.6138 -8.29957 -31.4678 -8.29963 6.90736 GPRESSAVG: 3810400 -16.6613 29.6492 -30.4157 32.7091 36.2548 -8.29522 -29.335 -8.51528 6.11107 TIMING: 3810400 CPU: 12361.2, 0.00398332/step Wall: 12361.2, 0.00398332/step, 1.31627 hours remaining, 235.050781 MB of memory in use. ENERGY: 3810400 3945.1041 20457.3744 14436.2720 265.5973 -203635.6669 2819.6107 0.0000 0.0000 52188.9665 -109522.7420 299.9307 -161711.7084 -109154.2346 298.7061 63.4667 95.4206 761844.2858 8.5167 8.5682 PRESSURE: 3810600 46.8907 109.516 25.1514 109.516 136.114 142.001 25.1514 142 -301.531 GPRESSURE: 3810600 115.107 166.658 32.6997 204.895 170.297 97.5421 69.2381 -19.3014 -318.933 PRESSAVG: 3810600 -24.807 24.6851 -17.9066 24.685 -14.4716 18.8664 -17.9065 18.8665 -16.179 GPRESSAVG: 3810600 -25.8546 27.5795 -19.1521 23.8671 -14.5991 17.7401 -20.3112 18.6137 -14.7037 TIMING: 3810600 CPU: 12362, 0.00399311/step Wall: 12362, 0.00399311/step, 1.31928 hours remaining, 235.050781 MB of memory in use. ENERGY: 3810600 3956.8740 20497.0713 14486.3760 241.3751 -203499.9656 2661.9963 0.0000 0.0000 52190.9351 -109465.3379 299.9420 -161656.2729 -109092.8400 298.7804 -39.5088 -11.1764 760712.0978 -18.4859 -18.3858 PRESSURE: 3810800 123.072 -62.7517 -60.0062 -62.7519 104.724 -126.824 -60.0058 -126.824 282.713 GPRESSURE: 3810800 129.357 -65.389 -189.594 -109.197 211.799 -194.752 -13.5275 64.4543 264.102 PRESSAVG: 3810800 -54.5243 43.1815 -25.5409 43.1815 48.9356 1.67559 -25.5409 1.67556 -10.5341 GPRESSAVG: 3810800 -53.4304 41.4866 -26.8194 42.7831 48.5668 1.71826 -24.319 1.81831 -11.8265 TIMING: 3810800 CPU: 12362.8, 0.00397944/step Wall: 12362.8, 0.00397944/step, 1.31454 hours remaining, 235.050781 MB of memory in use. ENERGY: 3810800 3979.6193 20352.6841 14420.9317 246.3004 -203937.1745 3026.3167 0.0000 0.0000 52252.1317 -109659.1905 300.2937 -161911.3222 -109292.8292 298.9919 170.1695 201.7527 760844.1649 -5.3743 -5.5634 PRESSURE: 3811000 74.9003 127.644 -225.368 127.645 -141.574 -134.825 -225.368 -134.824 -277.926 GPRESSURE: 3811000 108.537 24.8125 -266.826 250.236 -112.646 -181.745 -282.93 -207.16 -235.3 PRESSAVG: 3811000 -54.7801 19.2387 12.3702 19.2386 35.3986 -17.5299 12.3702 -17.5299 -0.743909 GPRESSAVG: 3811000 -55.1238 20.1823 16.0779 18.7601 36.5238 -18.0386 10.5061 -18.3207 -1.56086 TIMING: 3811000 CPU: 12363.6, 0.00401478/step Wall: 12363.6, 0.00401478/step, 1.32599 hours remaining, 235.050781 MB of memory in use. ENERGY: 3811000 3975.9695 20400.2949 14453.8399 235.6285 -203386.3334 2800.2268 0.0000 0.0000 51880.1158 -109640.2581 298.1557 -161520.3739 -109280.9436 298.5972 -114.8665 -79.8032 763084.7437 -6.7085 -6.7203 PRESSURE: 3811200 -90.1748 7.62781 -193.265 7.62705 172.351 -7.78081 -193.264 -7.78098 -97.1334 GPRESSURE: 3811200 -17.3211 101.138 -115.675 -167.171 146.96 8.37114 -95.4392 87.8788 -68.7219 PRESSAVG: 3811200 39.6159 31.3715 -2.83686 31.3715 -11.8883 -77.8428 -2.83683 -77.8429 2.36253 GPRESSAVG: 3811200 39.5978 32.1665 -5.02774 31.0664 -13.3299 -77.1292 -0.969614 -76.6121 3.3523 TIMING: 3811200 CPU: 12364.4, 0.00398575/step Wall: 12364.4, 0.00398575/step, 1.31618 hours remaining, 235.050781 MB of memory in use. ENERGY: 3811200 4010.0455 20611.0913 14398.4614 268.5783 -203535.6571 2552.5049 0.0000 0.0000 52085.6692 -109609.3065 299.3371 -161694.9757 -109254.4723 298.2864 -4.9856 20.3057 762751.6412 10.0300 9.8734 PRESSURE: 3811400 517.147 -240.338 -70.0322 -240.338 -150.36 -190.488 -70.0316 -190.488 -16.4105 GPRESSURE: 3811400 532.119 -133.011 -15.9493 -174.875 -57.586 -208.594 -84.353 -203.029 -60.8383 PRESSAVG: 3811400 48.5533 -31.9522 -34.2371 -31.9522 -63.4426 -36.9768 -34.2371 -36.9768 0.446222 GPRESSAVG: 3811400 47.9361 -33.8825 -33.9085 -30.8079 -61.9605 -35.5508 -35.1846 -38.797 -0.370642 TIMING: 3811400 CPU: 12365.2, 0.00398761/step Wall: 12365.2, 0.00398761/step, 1.31657 hours remaining, 235.050781 MB of memory in use. ENERGY: 3811400 4020.1208 20597.9877 14478.6119 237.2328 -203717.9003 2623.3507 0.0000 0.0000 52131.5019 -109629.0945 299.6005 -161760.5964 -109255.0666 298.7037 116.7923 137.8982 760631.9159 -4.8143 -4.7983 PRESSURE: 3811600 -41.6149 62.9721 -201.299 62.9717 -81.1809 5.02779 -201.299 5.02804 -330.638 GPRESSURE: 3811600 -146.149 179.942 -146.824 29.8427 33.2581 8.40921 -79.2815 -59.7211 -247.846 PRESSAVG: 3811600 68.0245 -21.758 65.2097 -21.758 -0.29045 -1.3058 65.2097 -1.30573 18.262 GPRESSAVG: 3811600 68.6874 -23.9701 65.8747 -21.5849 -1.47173 -1.83525 68.2428 -0.488464 18.4198 TIMING: 3811600 CPU: 12366, 0.0040026/step Wall: 12366, 0.0040026/step, 1.3213 hours remaining, 235.050781 MB of memory in use. ENERGY: 3811600 4021.2457 20585.6671 14400.2254 255.3514 -203166.9327 2330.2800 0.0000 0.0000 51777.7570 -109796.4060 297.5675 -161574.1630 -109445.0335 298.9076 -151.1444 -120.2456 760299.4671 28.6653 28.5452 PRESSURE: 3811800 -196.305 -15.4899 -49.7134 -15.4896 -236.4 -13.0446 -49.7125 -13.0445 -346.829 GPRESSURE: 3811800 -129.185 61.3756 -87.2384 9.66457 -252.101 2.9581 -52.2955 -64.9979 -282.863 PRESSAVG: 3811800 10.6884 -28.1003 69.4932 -28.1003 -11.3481 2.59345 69.4931 2.59342 0.895022 GPRESSAVG: 3811800 10.6243 -27.0822 67.7392 -28.0675 -11.0758 3.18423 66.5193 2.48732 1.219 TIMING: 3811800 CPU: 12366.8, 0.00399136/step Wall: 12366.8, 0.00399136/step, 1.31737 hours remaining, 235.050781 MB of memory in use. ENERGY: 3811800 3927.3060 20482.3623 14435.1632 245.6770 -203378.0020 2555.1624 0.0000 0.0000 51922.1432 -109810.1880 298.3973 -161732.3312 -109449.7396 298.8998 -259.8447 -221.3830 762132.6901 0.0784 0.2558 PRESSURE: 3812000 -287.582 -62.3294 1.4102 -62.3289 423.253 44.6651 1.41039 44.6656 -107.33 GPRESSURE: 3812000 -93.8803 -109.456 79.1851 42.2253 339.017 90.4359 -39.5795 103.527 -121.17 PRESSAVG: 3812000 9.05506 6.19268 13.8548 6.19271 15.2536 67.124 13.8548 67.124 1.22097 GPRESSAVG: 3812000 8.71607 6.87344 13.3229 5.47806 16.4449 66.5688 15.0686 66.8786 0.514539 TIMING: 3812000 CPU: 12367.6, 0.00394557/step Wall: 12367.6, 0.00394557/step, 1.30204 hours remaining, 235.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3812000 3950.3028 20401.8123 14452.7804 276.0409 -203445.5922 2488.3088 0.0000 0.0000 52116.9525 -109759.3944 299.5168 -161876.3470 -109385.1813 299.1084 9.4470 41.3224 761618.9610 8.5099 8.5585 PRESSURE: 3812200 -11.133 -96.0026 -188.697 -96.0037 -126.34 130.533 -188.697 130.533 326.785 GPRESSURE: 3812200 -58.2695 -67.3451 -160.311 -46.5679 -60.4745 157.31 -149.858 141.194 383.368 PRESSAVG: 3812200 -10.5516 16.4027 -25.8523 16.4026 33.5834 20.0382 -25.8523 20.0382 -0.441376 GPRESSAVG: 3812200 -8.8379 17.6403 -24.3467 15.3507 31.997 19.4036 -25.909 20.3813 -0.959159 TIMING: 3812200 CPU: 12368.4, 0.00397641/step Wall: 12368.4, 0.00397641/step, 1.31199 hours remaining, 235.050781 MB of memory in use. ENERGY: 3812200 3942.2141 20511.7059 14474.0235 249.5772 -203649.4101 2658.6286 0.0000 0.0000 51942.6568 -109870.6039 298.5152 -161813.2607 -109504.7967 298.6748 63.1039 88.2081 761942.1053 7.5301 7.4000 LDB: ============= START OF LOAD BALANCING ============== 12380.9 LDB: ============== END OF LOAD BALANCING =============== 12380.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12380.9 LDB: ============= START OF LOAD BALANCING ============== 12381.3 LDB: Largest compute 7078 load 0.030926 is 16.0% of average load 0.193400 LDB: Average compute 0.004446 is 2.3% of average load 0.193400 LDB: TIME 12381.3 LOAD: AVG 0.1934 MAX 0.21144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 12381.3 LOAD: AVG 0.1934 MAX 0.21144 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: TIME 12381.3 LOAD: AVG 0.1934 MAX 0.21144 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: ============== END OF LOAD BALANCING =============== 12381.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12381.3 PRESSURE: 3812400 -123.7 -271.926 -111.162 -271.926 -323.05 21.9254 -111.162 21.9253 -266.595 GPRESSURE: 3812400 -185.301 -322.453 -80.7438 -231.907 -256.89 0.681995 -54.9318 -91.0698 -188.553 PRESSAVG: 3812400 29.3267 -7.18232 -32.5076 -7.18224 -15.624 12.0176 -32.5076 12.0178 -2.51465 GPRESSAVG: 3812400 27.6428 -8.67808 -32.2007 -6.36683 -15.1061 10.975 -32.3859 11.4481 -0.924612 TIMING: 3812400 CPU: 12369.2, 0.00404801/step Wall: 12369.2, 0.00404801/step, 1.33539 hours remaining, 234.585938 MB of memory in use. ENERGY: 3812400 3998.2820 20446.8054 14455.0772 245.4079 -203313.3303 2499.4664 0.0000 0.0000 51663.7346 -110004.5566 296.9122 -161668.2913 -109633.0292 298.3668 -237.7814 -210.2480 763797.4505 3.7293 3.8707 PRESSURE: 3812600 198.007 -36.0266 -93.3843 -36.0272 -103.322 -5.77728 -93.3835 -5.77766 129.833 GPRESSURE: 3812600 185.367 12.1232 -75.9648 -27.9013 -88.3568 8.96751 61.4852 16.0829 206.259 PRESSAVG: 3812600 2.33391 -56.5196 -46.8414 -56.5196 -4.22117 9.94396 -46.8414 9.94392 -0.109383 GPRESSAVG: 3812600 2.99853 -55.5937 -48.5706 -56.5832 -4.29701 10.8339 -45.6495 12.2201 -1.11953 TIMING: 3812600 CPU: 12370, 0.00398951/step Wall: 12370, 0.00398951/step, 1.31587 hours remaining, 234.656250 MB of memory in use. ENERGY: 3812600 3955.3459 20428.0815 14520.4244 244.7095 -203316.3717 2473.6967 0.0000 0.0000 51706.5137 -109987.5999 297.1580 -161694.1136 -109617.7601 297.7994 74.8393 101.0896 761449.6668 -0.6655 -0.8060 PRESSURE: 3812800 -58.6054 67.5273 78.339 67.5279 -278.747 18.442 78.339 18.4424 46.2505 GPRESSURE: 3812800 -41.6077 49.6745 91.0385 123.853 -190.412 58.1391 24.1302 170.694 26.4271 PRESSAVG: 3812800 -3.72205 15.7267 76.7491 15.7268 1.25348 10.8234 76.7491 10.8233 20.0631 GPRESSAVG: 3812800 -4.48383 14.3762 77.8737 18.2665 1.13771 11.1358 75.8699 9.20767 20.7798 TIMING: 3812800 CPU: 12370.8, 0.00399292/step Wall: 12370.8, 0.00399292/step, 1.31678 hours remaining, 234.656250 MB of memory in use. ENERGY: 3812800 4005.0683 20553.2081 14382.3209 246.2421 -203003.1032 2343.9323 0.0000 0.0000 51791.5713 -109680.7602 297.6469 -161472.3315 -109328.5794 297.9965 -97.0341 -68.5307 761290.6380 5.8648 5.8112 PRESSURE: 3813000 -225.801 -61.4027 46.9299 -61.4028 -222.095 -197.898 46.9295 -197.897 -382.247 GPRESSURE: 3813000 -240.592 -192.156 4.90896 -80.553 -163.944 -100.801 -5.22458 -299.966 -363.548 PRESSAVG: 3813000 4.96707 -26.8844 20.4096 -26.8845 15.0551 9.76385 20.4096 9.76375 23.7966 GPRESSAVG: 3813000 4.92595 -25.7467 19.9582 -28.5704 15.9131 10.479 19.6779 8.17297 22.7589 TIMING: 3813000 CPU: 12371.6, 0.00395135/step Wall: 12371.6, 0.00395135/step, 1.30285 hours remaining, 234.914062 MB of memory in use. ENERGY: 3813000 4087.3049 20447.0789 14454.1958 251.1270 -203214.4961 2323.4167 0.0000 0.0000 51980.1419 -109671.2311 298.7306 -161651.3729 -109298.9968 299.3983 -276.7143 -256.0280 762222.1150 14.6062 14.5326 PRESSURE: 3813200 71.8238 -137.528 -156.856 -137.528 -100.502 97.0104 -156.856 97.0099 -249.309 GPRESSURE: 3813200 46.1346 -73.0357 -107.633 -150.164 -48.2033 37.3373 -160.705 153.45 -169.545 PRESSAVG: 3813200 25.8485 -2.23412 28.3062 -2.23418 12.2624 13.2029 28.3062 13.2028 9.13001 GPRESSAVG: 3813200 26.5995 -1.62146 28.2468 -3.50436 11.6605 12.7549 29.6618 16.4756 9.21408 TIMING: 3813200 CPU: 12372.4, 0.00397977/step Wall: 12372.4, 0.00397977/step, 1.312 hours remaining, 234.914062 MB of memory in use. ENERGY: 3813200 4007.7013 20597.3210 14469.9119 254.4210 -203234.4603 2077.2437 0.0000 0.0000 52292.5203 -109535.3413 300.5258 -161827.8615 -109166.5924 299.3976 -92.6624 -57.2047 759926.5201 15.7470 15.8247 PRESSURE: 3813400 48.7775 -44.4065 9.50595 -44.4067 -214.379 103.937 9.50504 103.937 -249.332 GPRESSURE: 3813400 4.45117 55.7473 60.7518 -32.8237 -159.956 80.0322 74.1688 -32.057 -184.567 PRESSAVG: 3813400 59.5572 6.01299 -11.2014 6.01294 -41.7968 -11.2011 -11.2014 -11.2011 2.41403 GPRESSAVG: 3813400 59.2702 5.70874 -11.7788 7.22131 -41.2559 -11.538 -11.2517 -14.3075 2.79703 TIMING: 3813400 CPU: 12373.2, 0.00395877/step Wall: 12373.2, 0.00395877/step, 1.30485 hours remaining, 234.914062 MB of memory in use. ENERGY: 3813400 3941.6437 20553.5159 14438.6412 264.8433 -203159.4409 2502.9580 0.0000 0.0000 51991.8311 -109466.0076 298.7978 -161457.8387 -109104.6962 299.4012 -138.3113 -113.3573 761682.9465 6.7248 6.9371 PRESSURE: 3813600 -314.082 -62.8831 183.901 -62.8834 -74.2737 42.9957 183.901 42.9966 -27.1949 GPRESSURE: 3813600 -297.853 -0.909723 129.539 -80.3478 -4.33458 53.6411 -16.2911 -79.0374 -39.8768 PRESSAVG: 3813600 -24.2679 -13.5848 8.95345 -13.5847 -43.8053 -18.5885 8.95342 -18.5885 -4.36982 GPRESSAVG: 3813600 -24.6913 -13.5582 10.0549 -13.7161 -43.2487 -16.7441 7.4894 -19.9272 -4.57606 TIMING: 3813600 CPU: 12374, 0.00397502/step Wall: 12374, 0.00397502/step, 1.30999 hours remaining, 234.914062 MB of memory in use. ENERGY: 3813600 4037.7556 20668.4597 14445.8735 261.2167 -203151.9716 2348.5983 0.0000 0.0000 51999.4185 -109390.6493 298.8414 -161390.0679 -109033.5641 299.2899 -138.5169 -114.0216 761210.8915 -24.1477 -24.1720 PRESSURE: 3813800 -189.564 161.779 177.414 161.779 63.0848 -190.291 177.414 -190.291 -21.9015 GPRESSURE: 3813800 -179.096 104.828 185.98 74.5697 80.4828 -148.881 189.46 -74.7926 32.6956 PRESSAVG: 3813800 -46.2852 -2.58964 5.81338 -2.58966 43.6981 -55.2075 5.81337 -55.2075 -7.35419 GPRESSAVG: 3813800 -47.731 -2.95564 3.16191 -0.831419 44.0288 -56.0923 7.21923 -53.5342 -6.31832 TIMING: 3813800 CPU: 12374.8, 0.00397427/step Wall: 12374.8, 0.00397427/step, 1.30952 hours remaining, 234.914062 MB of memory in use. ENERGY: 3813800 4031.8850 20496.1916 14474.5134 240.6194 -203010.8562 2511.0030 0.0000 0.0000 51992.6814 -109263.9625 298.8027 -161256.6439 -108896.5181 299.9053 -49.4602 -21.9726 760699.9022 -3.3138 -3.3402 PRESSURE: 3814000 19.1547 78.9007 257.6 78.9017 -166.027 -37.7756 257.599 -37.7761 522.243 GPRESSURE: 3814000 130.428 -5.01969 264.819 71.9469 -133.421 -48.8563 178.238 -79.9194 457.118 PRESSAVG: 3814000 -21.7868 32.5554 -7.91107 32.5554 21.7264 -16.2121 -7.91102 -16.2121 -17.4813 GPRESSAVG: 3814000 -20.0873 31.7632 -5.83366 31.6447 21.3454 -17.3204 -9.46549 -14.7262 -18.3688 TIMING: 3814000 CPU: 12375.6, 0.00398179/step Wall: 12375.6, 0.00398179/step, 1.31178 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3814000 3987.8277 20636.0004 14471.2928 254.8938 -203933.9790 2935.7896 0.0000 0.0000 52175.5421 -109472.6327 299.8536 -161648.1749 -109108.0314 299.6481 125.1234 151.3750 760839.0090 -5.8472 -5.7036 PRESSURE: 3814200 -12.3438 -87.8161 34.1667 -87.8153 -120.998 26.1181 34.1664 26.1181 65.0608 GPRESSURE: 3814200 36.4828 -30.392 23.086 -162.631 -94.294 -2.76945 39.6843 65.9886 82.5789 PRESSAVG: 3814200 -8.20581 -16.9276 37.2087 -16.9276 3.15775 -15.1415 37.2087 -15.1415 16.0175 GPRESSAVG: 3814200 -7.20397 -14.7347 37.1034 -16.8858 3.16316 -14.9338 40.3447 -18.8028 15.721 TIMING: 3814200 CPU: 12376.4, 0.00396574/step Wall: 12376.4, 0.00396574/step, 1.30627 hours remaining, 234.914062 MB of memory in use. ENERGY: 3814200 3964.0500 20662.3175 14407.5625 253.3237 -203263.6198 2316.1345 0.0000 0.0000 52115.7483 -109544.4833 299.5099 -161660.2316 -109180.6475 299.1284 -22.7602 8.2559 760711.4935 3.6565 3.8934 PRESSURE: 3814400 -184.205 4.43464 30.7597 4.43415 -135.52 -121.104 30.7594 -121.103 210.161 GPRESSURE: 3814400 -79.5157 -34.5599 -13.8353 62.587 -103.349 -56.803 -112.61 -120.303 183.692 PRESSAVG: 3814400 23.0646 5.26785 0.842925 5.26791 15.5619 8.56092 0.842922 8.56093 17.9582 GPRESSAVG: 3814400 22.2809 3.50225 0.371931 6.75457 15.4729 9.9956 -1.14085 11.0956 19.3277 TIMING: 3814400 CPU: 12377.2, 0.00395286/step Wall: 12377.2, 0.00395286/step, 1.30181 hours remaining, 234.914062 MB of memory in use. ENERGY: 3814400 4091.5918 20537.1074 14450.4127 244.1910 -203538.1302 2666.9203 0.0000 0.0000 52066.5621 -109481.3448 299.2272 -161547.9069 -109115.5105 299.5755 -36.5213 0.2756 760487.2596 18.8616 19.0272 PRESSURE: 3814600 -189.992 27.8871 -46.0223 27.8869 -181.463 245.446 -46.0223 245.446 -130.12 GPRESSURE: 3814600 -122.322 157.595 -29.2618 -17.2797 -147.819 245.289 -34.5635 244.15 -138.056 PRESSAVG: 3814600 2.88113 -27.2989 25.3042 -27.299 30.3448 -55.2554 25.3042 -55.2555 3.23657 GPRESSAVG: 3814600 3.88242 -26.5657 25.0085 -29.2694 30.1641 -56.7426 25.5093 -55.2069 2.24606 TIMING: 3814600 CPU: 12378, 0.00396034/step Wall: 12378, 0.00396034/step, 1.30405 hours remaining, 234.914062 MB of memory in use. ENERGY: 3814600 3970.8537 20308.6886 14531.3797 242.6413 -203018.2668 2390.5386 0.0000 0.0000 52061.4318 -109512.7332 299.1978 -161574.1649 -109147.0730 298.8712 -167.1916 -136.0656 762737.5377 12.1542 12.0975 PRESSURE: 3814800 -279.047 28.6794 66.5698 28.6795 52.2699 21.8422 66.5713 21.8412 -292.364 GPRESSURE: 3814800 -260.938 -5.112 -55.6083 -73.9031 87.0827 -7.9018 126.111 -9.01426 -267.385 PRESSAVG: 3814800 -6.22382 -53.6007 -30.0578 -53.6008 -23.709 -11.9081 -30.0579 -11.9081 4.71845 GPRESSAVG: 3814800 -6.40392 -53.7527 -29.2816 -52.778 -23.9393 -12.4553 -30.2575 -12.0784 4.69081 TIMING: 3814800 CPU: 12378.8, 0.00397892/step Wall: 12378.8, 0.00397892/step, 1.30995 hours remaining, 234.914062 MB of memory in use. ENERGY: 3814800 4034.2308 20494.5852 14530.0029 239.4670 -203601.3836 2587.5091 0.0000 0.0000 52288.7782 -109426.8104 300.5043 -161715.5886 -109053.7663 299.2690 -173.0470 -147.0799 760799.3048 -8.4048 -8.5508 PRESSURE: 3815000 -195.041 74.4457 -69.9004 74.4451 -27.6852 152.405 -69.8992 152.404 254.963 GPRESSURE: 3815000 -204.022 63.1918 -40.2974 91.2052 -11.7044 198.126 13.0933 188.619 324.395 PRESSAVG: 3815000 -39.3271 -46.4222 -39.5008 -46.4221 23.5804 37.585 -39.5008 37.585 -16.7921 GPRESSAVG: 3815000 -38.5705 -46.8332 -39.2115 -47.2835 21.4914 37.6801 -39.1842 34.2956 -15.2307 TIMING: 3815000 CPU: 12379.6, 0.0039865/step Wall: 12379.6, 0.0039865/step, 1.31222 hours remaining, 234.914062 MB of memory in use. ENERGY: 3815000 4061.4089 20606.8863 14504.9947 226.8235 -203247.7981 2609.0795 0.0000 0.0000 51949.8607 -109288.7445 298.5566 -161238.6052 -108929.0714 299.1057 10.7455 36.2229 761117.8457 -10.8463 -10.7700 PRESSURE: 3815200 -175.299 158.93 -77.4664 158.929 -12.1372 -96.5618 -77.4668 -96.5629 -40.7169 GPRESSURE: 3815200 14.0242 42.9571 -100.568 101.221 -92.0041 -82.6092 -103.034 -14.9197 -73.6012 PRESSAVG: 3815200 -16.6594 13.1653 -36.4545 13.1653 65.362 44.1734 -36.4545 44.1734 -4.23025 GPRESSAVG: 3815200 -16.6664 13.2351 -37.2874 12.6511 66.2398 44.2679 -35.074 46.2368 -4.8225 TIMING: 3815200 CPU: 12380.4, 0.00397829/step Wall: 12380.4, 0.00397829/step, 1.3093 hours remaining, 234.914062 MB of memory in use. ENERGY: 3815200 4073.5356 20391.1446 14430.2261 237.4823 -203253.7648 2599.1824 0.0000 0.0000 52174.2807 -109347.9132 299.8463 -161522.1939 -108980.2230 299.2981 -76.0510 -50.5270 761863.1723 14.8241 14.9169 PRESSURE: 3815400 41.6714 -98.6101 247.716 -98.6118 -309.229 57.2775 247.717 57.2783 25.6815 GPRESSURE: 3815400 -45.4307 49.6167 319.167 -102.521 -209.518 1.62536 128.276 72.3877 79.1405 PRESSAVG: 3815400 -107.721 7.39971 -14.1535 7.39964 56.196 19.9764 -14.1534 19.9764 14.3506 GPRESSAVG: 3815400 -106.998 8.58128 -14.0439 8.77892 55.9599 17.8324 -18.2872 22.0201 13.0606 TIMING: 3815400 CPU: 12381.2, 0.00398812/step Wall: 12381.2, 0.00398812/step, 1.31231 hours remaining, 234.914062 MB of memory in use. ENERGY: 3815400 3909.6134 20537.5613 14434.3390 259.7899 -203201.4384 2707.7444 0.0000 0.0000 51900.3966 -109451.9938 298.2723 -161352.3904 -109085.3193 298.9785 -80.6254 -58.6026 762401.1343 -12.3916 -12.6591 PRESSURE: 3815600 -31.8044 -64.4947 186.818 -64.4942 2.64619 170.316 186.818 170.317 -220.016 GPRESSURE: 3815600 -39.667 15.805 175.136 -106.598 69.2721 157.108 97.2881 117.101 -227.316 PRESSAVG: 3815600 -23.4141 42.5755 6.37025 42.5755 40.5103 -4.98303 6.37022 -4.98302 -28.6148 GPRESSAVG: 3815600 -23.8336 43.1389 5.85166 41.2564 40.9879 -3.72956 8.30562 -8.63186 -28.6391 TIMING: 3815600 CPU: 12381.9, 0.00397296/step Wall: 12381.9, 0.00397296/step, 1.3071 hours remaining, 234.914062 MB of memory in use. ENERGY: 3815600 3976.5340 20583.4426 14492.7546 248.4985 -203464.2475 2625.0318 0.0000 0.0000 52037.8164 -109500.1696 299.0620 -161537.9859 -109134.7670 298.9855 -83.0581 -65.9036 760675.1348 -3.8395 -3.8283 PRESSURE: 3815800 -144.723 103.518 103.939 103.518 172.196 -133.405 103.939 -133.406 -46.7487 GPRESSURE: 3815800 -192.228 146.257 62.1189 112.243 314.256 -220.942 208.034 25.2026 -38.7918 PRESSAVG: 3815800 16.8281 -2.14764 -1.04283 -2.1477 10.9276 -34.5384 -1.04282 -34.5383 10.3114 GPRESSAVG: 3815800 16.2835 -4.14203 -0.589364 -0.802263 11.1354 -35.9927 1.28115 -31.8193 10.7417 TIMING: 3815800 CPU: 12382.7, 0.00396466/step Wall: 12382.7, 0.00396466/step, 1.30415 hours remaining, 234.914062 MB of memory in use. ENERGY: 3815800 3997.3947 20584.4757 14511.2378 261.1091 -203447.3821 2496.3770 0.0000 0.0000 52048.7648 -109548.0231 299.1250 -161596.7879 -109189.5152 299.2333 -6.4253 27.7454 758866.6263 12.6890 12.7202 PRESSURE: 3816000 -311.777 -162.233 -11.7379 -162.235 -347.893 229.249 -11.7379 229.249 -130.948 GPRESSURE: 3816000 -349.383 -180.449 8.09493 -117.906 -251.419 212.578 -122.823 134.875 -117.244 PRESSAVG: 3816000 -13.2756 -22.2211 23.7588 -22.2212 -18.5949 -28.2462 23.7588 -28.2462 -4.38763 GPRESSAVG: 3816000 -12.9191 -21.9597 24.1479 -22.2055 -18.2442 -25.9349 23.9751 -28.4282 -4.69811 TIMING: 3816000 CPU: 12383.5, 0.00396184/step Wall: 12383.5, 0.00396184/step, 1.30301 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3816000 3974.5125 20711.0551 14480.4725 254.1590 -203059.7987 2233.4507 0.0000 0.0000 51869.5417 -109536.6072 298.0950 -161406.1489 -109179.2977 298.8847 -263.5393 -239.3484 758985.1675 -12.0861 -11.9538 PRESSURE: 3816200 35.3742 28.7691 -208.992 28.77 116.151 -10.4587 -208.993 -10.4587 147.572 GPRESSURE: 3816200 -30.0492 -31.1219 -368.73 117.619 220.495 -60.3906 -112.064 -61.0087 188.746 PRESSAVG: 3816200 -52.8378 -3.59017 -7.62878 -3.59016 80.1645 13.7471 -7.62881 13.7471 -0.808611 GPRESSAVG: 3816200 -54.7905 -4.21978 -8.61788 -4.07256 80.3977 12.5162 -10.6817 12.9719 0.934323 TIMING: 3816200 CPU: 12384.3, 0.00397752/step Wall: 12384.3, 0.00397752/step, 1.30794 hours remaining, 234.914062 MB of memory in use. ENERGY: 3816200 3930.5698 20602.5158 14516.5819 238.9667 -203410.4290 2557.2260 0.0000 0.0000 51844.6166 -109719.9522 297.9517 -161564.5688 -109359.6608 299.3144 99.6990 126.3973 759008.3881 8.8394 8.8471 LDB: ============= START OF LOAD BALANCING ============== 12396.8 LDB: ============== END OF LOAD BALANCING =============== 12396.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12396.8 LDB: ============= START OF LOAD BALANCING ============== 12397.2 LDB: Largest compute 7033 load 0.031797 is 16.4% of average load 0.193422 LDB: Average compute 0.004457 is 2.3% of average load 0.193422 LDB: TIME 12397.2 LOAD: AVG 0.193422 MAX 0.213866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12397.2 LOAD: AVG 0.193422 MAX 0.213866 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 12397.2 LOAD: AVG 0.193422 MAX 0.213866 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 12397.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12397.2 PRESSURE: 3816400 -63.3337 -175.622 127.759 -175.623 90.7056 -24.2301 127.759 -24.229 -496.349 GPRESSURE: 3816400 -35.7766 -181.212 90.7373 -214.734 48.8409 -34.9896 209.919 0.801452 -385.254 PRESSAVG: 3816400 5.963 -19.3098 48.0296 -19.3098 -52.0283 1.80713 48.0296 1.80724 21.3445 GPRESSAVG: 3816400 8.27482 -17.8698 49.5757 -19.0577 -52.8321 3.43108 47.8778 2.01293 19.418 TIMING: 3816400 CPU: 12385.1, 0.00402136/step Wall: 12385.1, 0.00402136/step, 1.32213 hours remaining, 233.554688 MB of memory in use. ENERGY: 3816400 4035.7900 20479.6261 14539.4821 249.6412 -203671.6858 2445.7290 0.0000 0.0000 52198.3655 -109723.0518 299.9847 -161921.4174 -109359.3431 298.9140 -156.3257 -124.0631 759196.1488 -8.2403 -8.3798 PRESSURE: 3816600 18.5473 68.1894 -4.02157 68.1896 -65.0093 -82.4589 -4.0208 -82.4601 -257.487 GPRESSURE: 3816600 15.4005 86.3118 -5.31559 104.452 -6.12956 -67.3984 -30.206 -50.7989 -235.293 PRESSAVG: 3816600 13.3675 -41.2961 -2.01056 -41.2961 11.5108 -14.7624 -2.01055 -14.7625 -1.61482 GPRESSAVG: 3816600 12.5966 -41.81 -1.72739 -41.8539 11.5608 -16.6592 -0.0895862 -14.5938 -0.939892 TIMING: 3816600 CPU: 12385.9, 0.00392691/step Wall: 12385.9, 0.00392691/step, 1.29086 hours remaining, 233.554688 MB of memory in use. ENERGY: 3816600 3979.2677 20660.1782 14605.5810 255.4106 -203573.5057 2360.9773 0.0000 0.0000 52032.6423 -109679.4485 299.0323 -161712.0908 -109324.6275 298.9882 -101.3165 -75.3406 759710.6501 7.7545 7.7392 PRESSURE: 3816800 -96.0642 15.2024 144.679 15.2018 -285.925 -77.0127 144.678 -77.0128 182.761 GPRESSURE: 3816800 -83.9468 -31.6922 102.677 -112.03 -193.202 -20.7156 70.9207 -73.3727 141.803 PRESSAVG: 3816800 15.5452 -28.9741 -34.8341 -28.9741 -16.2084 -26.8428 -34.8341 -26.8429 23.568 GPRESSAVG: 3816800 16.0522 -28.8061 -36.902 -28.9175 -15.5607 -26.1158 -36.1361 -27.1494 22.3998 TIMING: 3816800 CPU: 12386.7, 0.00393691/step Wall: 12386.7, 0.00393691/step, 1.29393 hours remaining, 233.554688 MB of memory in use. ENERGY: 3816800 3986.8321 20558.6909 14426.1778 257.8190 -203292.9600 2362.2683 0.0000 0.0000 51908.5914 -109792.5806 298.3194 -161701.1720 -109438.2764 298.9458 -66.4095 -45.1152 760348.2508 7.6349 7.6304 PRESSURE: 3817000 -4.6467 -63.6687 -152.04 -63.6685 -184.017 -7.79846 -152.041 -7.79858 -56.7803 GPRESSURE: 3817000 34.6652 -134.359 -115.504 -233.303 -154.188 -64.9261 24.1647 -84.2415 -33.9657 PRESSAVG: 3817000 13.9844 -37.9615 -65.1849 -37.9615 -0.577649 4.1943 -65.1849 4.19427 -33.6337 GPRESSAVG: 3817000 12.1003 -37.8715 -63.6637 -39.0363 0.797652 5.52879 -63.9742 2.63166 -32.396 TIMING: 3817000 CPU: 12387.5, 0.00395639/step Wall: 12387.5, 0.0039564/step, 1.30012 hours remaining, 233.554688 MB of memory in use. ENERGY: 3817000 4057.0200 20429.4450 14467.4397 233.3756 -203200.2095 2540.3313 0.0000 0.0000 51848.3946 -109624.2033 297.9734 -161472.5980 -109271.4964 298.4141 -81.8146 -51.1628 762532.3146 -6.7423 -6.4994 PRESSURE: 3817200 145.233 -335.641 -195.155 -335.641 -0.915033 -125.603 -195.156 -125.603 82.2334 GPRESSURE: 3817200 225.112 -298.417 -194.259 -268.814 23.3948 -90.2047 -193.135 -19.4944 76.2887 PRESSAVG: 3817200 28.5261 -63.0774 -59.7686 -63.0773 -37.2751 9.76085 -59.7686 9.76092 4.07785 GPRESSAVG: 3817200 30.3833 -63.136 -60.1743 -63.1321 -38.4689 10.2146 -59.6757 8.72851 3.48907 TIMING: 3817200 CPU: 12388.3, 0.00397383/step Wall: 12388.3, 0.00397383/step, 1.30562 hours remaining, 233.554688 MB of memory in use. ENERGY: 3817200 3939.7758 20509.2268 14490.1132 235.2222 -203274.0481 2640.9444 0.0000 0.0000 51926.0074 -109532.7582 298.4195 -161458.7656 -109180.8502 298.6388 75.5170 108.2653 761711.9811 -1.5571 -1.5322 PRESSURE: 3817400 -127.043 67.9744 199.063 67.9742 -177.833 -29.3665 199.064 -29.3655 174.668 GPRESSURE: 3817400 -50.2343 8.12482 104.847 -18.7069 -100.261 -87.5512 211.512 13.0911 129.118 PRESSAVG: 3817400 12.6488 -74.9756 -1.31907 -74.9756 -35.7516 4.0874 -1.31906 4.08738 10.106 GPRESSAVG: 3817400 12.6179 -75.2725 -2.24956 -74.5065 -35.5055 2.70552 -3.71003 6.50846 10.0258 TIMING: 3817400 CPU: 12389.1, 0.00394715/step Wall: 12389.1, 0.00394715/step, 1.29664 hours remaining, 233.554688 MB of memory in use. ENERGY: 3817400 3974.0178 20439.2704 14448.9019 244.3488 -203160.2714 2516.4647 0.0000 0.0000 51946.6521 -109590.6157 298.5381 -161537.2678 -109223.8724 299.0205 -43.4027 -7.1256 762328.7331 -4.3323 -4.2873 PRESSURE: 3817600 -167.875 -5.21496 34.4718 -5.21509 166.49 -152.996 34.4726 -152.996 -262.896 GPRESSURE: 3817600 -144.481 -16.1484 74.3703 -39.1106 261.509 -27.6903 72.8135 -176.781 -298.288 PRESSAVG: 3817600 56.396 -28.5792 40.3607 -28.5792 -27.2367 -45.3664 40.3607 -45.3664 -9.86581 GPRESSAVG: 3817600 56.1234 -27.8101 43.0772 -28.4326 -27.6769 -46.8147 44.5881 -45.4218 -9.14085 TIMING: 3817600 CPU: 12389.9, 0.00393334/step Wall: 12389.9, 0.00393334/step, 1.29188 hours remaining, 233.554688 MB of memory in use. ENERGY: 3817600 3981.5804 20532.1112 14435.7022 259.8992 -203112.6321 2571.1063 0.0000 0.0000 51845.3928 -109486.8400 297.9562 -161332.2328 -109125.0251 298.5975 -88.0938 -60.4199 761733.2282 6.4312 6.4352 PRESSURE: 3817800 64.1316 -118.347 -34.2063 -118.347 99.6698 -82.7579 -34.2058 -82.7584 -397.983 GPRESSURE: 3817800 24.0112 2.86161 -51.1064 -102.607 173.339 -67.7062 -6.54454 -116.332 -376.682 PRESSAVG: 3817800 -20.9497 -86.5591 17.4034 -86.5591 -14.1645 -57.9802 17.4034 -57.9803 -0.206311 GPRESSAVG: 3817800 -21.4501 -88.6479 16.5216 -87.1746 -14.2852 -57.22 15.1311 -58.025 0.219701 TIMING: 3817800 CPU: 12390.7, 0.00396296/step Wall: 12390.7, 0.00396296/step, 1.30139 hours remaining, 233.554688 MB of memory in use. ENERGY: 3817800 3989.1961 20385.1780 14446.9586 265.3345 -203429.6203 2660.8291 0.0000 0.0000 52021.2422 -109660.8818 298.9668 -161682.1240 -109287.4323 298.0406 -78.0607 -59.7774 762349.8591 -11.7735 -11.8385 PRESSURE: 3818000 110.421 -89.9148 140.971 -89.9149 127.805 51.4798 140.972 51.4795 144.579 GPRESSURE: 3818000 191.969 -227.156 102.108 -37.8217 87.1887 4.65696 175.261 -29.2293 197.047 PRESSAVG: 3818000 28.3762 -48.2496 -17.1572 -48.2496 -60.6796 -32.0166 -17.1572 -32.0167 -1.10889 GPRESSAVG: 3818000 29.8054 -46.8753 -17.6163 -49.2952 -61.0236 -31.6222 -17.3108 -32.612 -2.21265 TIMING: 3818000 CPU: 12391.4, 0.00394774/step Wall: 12391.4, 0.00394774/step, 1.29618 hours remaining, 233.554688 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: 3818000 4007.4530 20583.9587 14507.3727 256.9815 -203174.7036 2701.7469 0.0000 0.0000 51641.2014 -109475.9894 296.7827 -161117.1907 -109120.7782 298.3752 127.6016 158.7348 762201.2333 -11.1375 -11.1436 PRESSURE: 3818200 -529.977 -32.8249 103.469 -32.8246 -176.067 213.547 103.468 213.547 -400.433 GPRESSURE: 3818200 -445.222 -41.856 133.034 -130.661 -176.947 209.509 43.5352 243.676 -385.011 PRESSAVG: 3818200 -56.4968 3.38823 -21.502 3.38824 17.7092 41.8315 -21.502 41.8316 1.18693 GPRESSAVG: 3818200 -57.5644 2.24327 -21.4227 6.18509 18.6311 43.2813 -22.2669 41.885 1.53785 TIMING: 3818200 CPU: 12392.2, 0.0039564/step Wall: 12392.2, 0.0039564/step, 1.2988 hours remaining, 233.554688 MB of memory in use. ENERGY: 3818200 3972.0509 20442.6533 14386.3136 249.3605 -202943.0148 2121.9911 0.0000 0.0000 52058.6361 -109712.0093 299.1817 -161770.6454 -109339.0714 298.6391 -368.8257 -335.7266 762356.1661 -12.5336 -12.4652 PRESSURE: 3818400 -76.1722 127.428 -145.022 127.429 -131.826 15.0236 -145.022 15.0236 -182.595 GPRESSURE: 3818400 74.8501 125.439 -160.472 77.285 -69.7312 -66.1817 -28.1244 16.5717 -308.012 PRESSAVG: 3818400 1.31406 -44.9016 -23.5607 -44.9016 -30.7127 -77.2156 -23.5607 -77.2156 -15.8086 GPRESSAVG: 3818400 1.85484 -44.517 -24.4817 -45.6178 -30.9962 -77.1541 -22.9408 -76.5001 -15.9146 TIMING: 3818400 CPU: 12393, 0.00395797/step Wall: 12393, 0.00395797/step, 1.29909 hours remaining, 233.554688 MB of memory in use. ENERGY: 3818400 3972.1313 20729.9796 14444.8783 248.9611 -203463.2667 2510.2457 0.0000 0.0000 51740.4498 -109816.6209 297.3531 -161557.0707 -109457.2908 298.2816 -130.1977 -100.9643 760837.9831 -15.0691 -15.0187 PRESSURE: 3818600 -291.407 37.0439 96.6378 37.0434 -74.6339 -8.22847 96.6371 -8.22776 -216.327 GPRESSURE: 3818600 -279.998 123.593 104.177 85.2645 -32.4821 -44.0762 76.4665 -147.132 -191.979 PRESSAVG: 3818600 40.6795 -37.2876 -31.4264 -37.2875 -11.3609 -12.8455 -31.4264 -12.8454 21.7297 GPRESSAVG: 3818600 40.4379 -36.2636 -31.3319 -38.1896 -11.8724 -15.7889 -29.7211 -11.2231 22.0699 TIMING: 3818600 CPU: 12393.8, 0.00396971/step Wall: 12393.8, 0.00396971/step, 1.30273 hours remaining, 233.554688 MB of memory in use. ENERGY: 3818600 4023.2615 20555.8476 14363.2018 235.0549 -203451.4968 2441.0765 0.0000 0.0000 52028.0141 -109805.0403 299.0057 -161833.0545 -109438.7745 298.4767 -194.1227 -168.1530 761658.7347 17.0161 16.8785 PRESSURE: 3818800 60.9596 -107.663 -192.253 -107.664 -77.5805 -115.401 -192.252 -115.401 -208.2 GPRESSURE: 3818800 66.6994 -113.798 -154.827 -106.025 -52.5274 -138.802 -41.5968 -90.4286 -132.571 PRESSAVG: 3818800 16.6827 22.612 80.4193 22.6119 -34.4401 -2.10465 80.4193 -2.10466 -0.289907 GPRESSAVG: 3818800 16.3113 23.3933 81.0147 23.6729 -35.0159 0.245685 79.9454 -5.60985 0.698975 TIMING: 3818800 CPU: 12394.6, 0.00395252/step Wall: 12394.6, 0.00395252/step, 1.29687 hours remaining, 233.554688 MB of memory in use. ENERGY: 3818800 4022.5193 20497.3698 14389.5555 238.9947 -203674.0630 2747.4514 0.0000 0.0000 51948.1069 -109830.0654 298.5465 -161778.1723 -109473.0126 298.5747 -74.9402 -39.4663 760903.1330 -6.0158 -6.0019 PRESSURE: 3819000 16.6949 69.2225 41.6758 69.2218 43.5032 37.4376 41.6763 37.439 123.081 GPRESSURE: 3819000 61.2695 56.2393 46.1111 70.9736 89.6971 -33.3911 -67.9302 -46.4506 128.806 PRESSAVG: 3819000 72.7215 32.3608 -8.02292 32.3608 -56.2868 -70.5784 -8.02292 -70.5785 25.0348 GPRESSAVG: 3819000 73.6198 32.2852 -6.95056 30.9301 -56.9899 -71.6652 -9.43022 -67.6165 24.8707 TIMING: 3819000 CPU: 12395.4, 0.00396091/step Wall: 12395.4, 0.00396091/step, 1.2994 hours remaining, 233.554688 MB of memory in use. ENERGY: 3819000 3999.0451 20309.2412 14483.3914 251.1856 -203706.3798 2713.0171 0.0000 0.0000 52174.6954 -109775.8040 299.8487 -161950.4993 -109397.8581 298.3820 61.0931 93.2576 759704.2869 13.8232 13.8336 PRESSURE: 3819200 -119.381 -161.89 24.9321 -161.89 -150.322 -72.6644 24.9316 -72.6635 24.654 GPRESSURE: 3819200 -35.8301 -116.572 51.4144 -212.21 -109.868 10.4554 54.1812 -90.9705 -0.797558 PRESSAVG: 3819200 -20.1558 -28.5879 20.255 -28.5879 -20.4426 26.7231 20.255 26.7232 -26.0698 GPRESSAVG: 3819200 -21.3331 -31.1307 17.9918 -26.9672 -18.5325 26.4409 21.6373 25.6991 -26.7371 TIMING: 3819200 CPU: 12396.2, 0.0039629/step Wall: 12396.2, 0.0039629/step, 1.29983 hours remaining, 233.554688 MB of memory in use. ENERGY: 3819200 3975.2447 20598.1586 14426.4942 255.6050 -203590.6162 2466.1641 0.0000 0.0000 51872.0655 -109996.8841 298.1095 -161868.9496 -109639.6890 298.3673 -81.6831 -48.8317 761721.3451 -22.2228 -22.2009 PRESSURE: 3819400 243.064 49.0337 9.10947 49.0342 262.802 -178.321 9.1093 -178.32 132.267 GPRESSURE: 3819400 229.385 -41.2761 49.7155 95.6633 308.673 -198.758 65.4237 -238.406 180.646 PRESSAVG: 3819400 -8.84342 3.20678 15.7207 3.20682 -27.3112 4.36358 15.7207 4.36357 18.9228 GPRESSAVG: 3819400 -9.28416 2.37902 15.3287 2.04883 -28.4434 5.18677 15.6432 3.09798 20.8956 TIMING: 3819400 CPU: 12397, 0.00395338/step Wall: 12397, 0.00395338/step, 1.29649 hours remaining, 233.554688 MB of memory in use. ENERGY: 3819400 4009.0947 20320.1734 14484.4681 245.6456 -203614.4193 2768.8596 0.0000 0.0000 51835.9272 -109950.2506 297.9018 -161786.1778 -109582.4467 298.2178 212.7109 239.5682 759981.7048 -5.7439 -5.6107 PRESSURE: 3819600 -43.7305 57.1454 -113.05 57.1453 -427.519 -144.542 -113.05 -144.543 -210.862 GPRESSURE: 3819600 -80.1731 99.6331 -125.883 140.736 -370.301 -74.7099 -15.2601 -96.3343 -151.914 PRESSAVG: 3819600 14.2763 29.8815 9.6421 29.8815 29.8004 1.72388 9.64209 1.72378 16.8688 GPRESSAVG: 3819600 14.8585 32.3354 11.3692 30.2322 30.2135 1.19425 8.62484 4.05637 15.8238 TIMING: 3819600 CPU: 12397.8, 0.00394761/step Wall: 12397.8, 0.00394761/step, 1.29438 hours remaining, 233.554688 MB of memory in use. ENERGY: 3819600 4029.9144 20599.0495 14422.4581 247.4859 -203692.9904 2443.4325 0.0000 0.0000 52178.8029 -109771.8471 299.8723 -161950.6500 -109409.7655 298.9945 -227.3704 -200.7960 759967.1241 20.3152 20.2986 PRESSURE: 3819800 -426.032 -120.281 158.395 -120.282 99.7054 209.369 158.396 209.369 94.9612 GPRESSURE: 3819800 -438.991 -199.573 108.008 -151.66 184.465 154.791 212.185 234.801 116.341 PRESSAVG: 3819800 -30.0477 -62.3606 54.1632 -62.3607 21.2375 7.84732 54.1632 7.8474 -13.7687 GPRESSAVG: 3819800 -30.3237 -61.2445 53.9153 -62.1687 22.6492 7.4041 55.2723 6.36639 -14.5998 TIMING: 3819800 CPU: 12398.6, 0.00394467/step Wall: 12398.6, 0.00394467/step, 1.2932 hours remaining, 233.554688 MB of memory in use. ENERGY: 3819800 3955.5306 20407.6174 14474.1860 231.5502 -203332.1062 2488.3709 0.0000 0.0000 51971.3069 -109803.5442 298.6798 -161774.8511 -109443.4664 298.5767 -77.1218 -46.0618 760105.8037 -7.5263 -7.4248 PRESSURE: 3820000 33.0022 -7.51977 157.884 -7.51966 276.155 -103.371 157.884 -103.373 168.217 GPRESSURE: 3820000 152.699 60.9177 97.6397 -0.930183 284.564 -134.505 -9.55921 -15.3601 114.64 PRESSAVG: 3820000 42.9531 1.64892 39.0245 1.64899 -32.2302 -7.46701 39.0246 -7.46707 18.2235 GPRESSAVG: 3820000 43.3835 0.944849 38.2766 2.19803 -33.4097 -7.19861 37.3006 -6.73099 19.3914 TIMING: 3820000 CPU: 12399.4, 0.00395659/step Wall: 12399.4, 0.00395659/step, 1.29688 hours remaining, 233.554688 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: 3820000 3981.2051 20384.0786 14459.2660 246.6545 -203766.2170 2734.1733 0.0000 0.0000 52254.2415 -109706.5980 300.3058 -161960.8395 -109348.7252 298.7882 159.1247 183.9674 760835.0686 9.6488 9.7884 PRESSURE: 3820200 -591.246 110.231 150.638 110.231 -157.001 -242.636 150.638 -242.637 -250.458 GPRESSURE: 3820200 -466.683 124.19 118.85 189.566 -231.232 -184.266 133.067 -223.482 -204.47 PRESSAVG: 3820200 -4.70927 11.1304 7.28897 11.1305 -15.1809 50.3999 7.28898 50.3999 -12.8673 GPRESSAVG: 3820200 -4.96103 11.4337 7.7935 8.9213 -15.1978 51.3187 8.63479 50.9239 -12.439 TIMING: 3820200 CPU: 12400.2, 0.0039677/step Wall: 12400.2, 0.0039677/step, 1.3003 hours remaining, 233.554688 MB of memory in use. ENERGY: 3820200 3984.8842 20350.6850 14455.0607 239.1346 -203368.5581 2448.4479 0.0000 0.0000 52138.1095 -109752.2362 299.6384 -161890.3457 -109397.9097 298.8788 -332.9016 -300.7949 761027.3673 -10.9192 -10.8659 LDB: ============= START OF LOAD BALANCING ============== 12412.6 LDB: ============== END OF LOAD BALANCING =============== 12412.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12412.6 LDB: ============= START OF LOAD BALANCING ============== 12412.9 LDB: Largest compute 7068 load 0.030706 is 15.7% of average load 0.195732 LDB: Average compute 0.004394 is 2.2% of average load 0.195732 LDB: TIME 12412.9 LOAD: AVG 0.195732 MAX 0.218112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.84 MB LDB: TIME 12412.9 LOAD: AVG 0.195732 MAX 0.218112 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.844 MB LDB: TIME 12412.9 LOAD: AVG 0.195732 MAX 0.218112 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.844 MB LDB: ============== END OF LOAD BALANCING =============== 12412.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12413 PRESSURE: 3820400 10.7604 -270.701 385.271 -270.701 -432.007 42.6467 385.271 42.6469 171.657 GPRESSURE: 3820400 75.7956 -207.057 307.109 -217.722 -349.357 122.172 300.43 -23.3517 130.942 PRESSAVG: 3820400 -0.800318 -36.3377 23.9839 -36.3377 -17.1514 21.045 23.984 21.045 -22.4761 GPRESSAVG: 3820400 -0.10817 -35.7933 24.1196 -35.5568 -16.967 21.6881 23.3428 18.9521 -23.6937 TIMING: 3820400 CPU: 12400.8, 0.00346221/step Wall: 12400.8, 0.00346221/step, 1.13445 hours remaining, 234.828125 MB of memory in use. ENERGY: 3820400 3976.1112 20286.9491 14514.6192 232.8328 -203458.2941 2600.7619 0.0000 0.0000 52019.8199 -109827.2001 298.9586 -161847.0200 -109473.3514 298.4257 -83.1965 -47.5399 759816.5525 -13.4759 -13.5896 PRESSURE: 3820600 -74.6484 55.1888 192.977 55.1889 272.821 -194.209 192.977 -194.208 450.713 GPRESSURE: 3820600 -75.9443 21.533 141.95 82.8874 314.575 -177.573 201.803 -300.968 496.428 PRESSAVG: 3820600 -23.0218 -49.9699 10.8928 -49.97 22.3456 -12.3298 10.8929 -12.3298 3.70756 GPRESSAVG: 3820600 -23.2161 -53.5735 12.2997 -49.2093 23.3886 -14.6343 10.7071 -9.41777 3.13096 TIMING: 3820600 CPU: 12401.5, 0.00311607/step Wall: 12401.5, 0.00311607/step, 1.02086 hours remaining, 234.921875 MB of memory in use. ENERGY: 3820600 3965.4652 20364.0294 14372.8833 255.8428 -203514.1286 2761.5934 0.0000 0.0000 51748.9614 -110045.3531 297.4020 -161794.3145 -109690.9231 298.2993 216.2952 245.0194 761838.5689 1.0105 1.1012 PRESSURE: 3820800 -252.1 -106.127 -144.398 -106.127 -259.503 36.8118 -144.398 36.8122 -315.16 GPRESSURE: 3820800 -192.972 -169.422 -25.8621 -51.0167 -188.401 1.21898 -130.528 55.8442 -356.761 PRESSAVG: 3820800 -31.4528 4.59122 3.16107 4.59114 19.2439 -25.6854 3.16112 -25.6854 -1.34586 GPRESSAVG: 3820800 -32.5399 5.00163 3.20211 3.38799 19.3021 -24.3798 1.97597 -28.8986 -0.860786 TIMING: 3820800 CPU: 12402.1, 0.00313809/step Wall: 12402.1, 0.00313809/step, 1.0279 hours remaining, 234.921875 MB of memory in use. ENERGY: 3820800 4017.7002 20268.8263 14411.9241 259.8177 -203485.7549 2643.7415 0.0000 0.0000 51930.9866 -109952.7586 298.4481 -161883.7452 -109593.2478 297.7419 -275.5877 -246.0448 762210.0820 -4.5182 -4.6995 PRESSURE: 3821000 0.534753 2.56987 -261.328 2.57027 230.587 -261.546 -261.328 -261.546 664.91 GPRESSURE: 3821000 172.918 110.631 -229.517 43.3844 195.148 -167.843 -244.859 -233.21 626.485 PRESSAVG: 3821000 33.0236 -69.0602 -21.876 -69.0603 -3.963 -15.5539 -21.876 -15.5539 -17.8434 GPRESSAVG: 3821000 34.0089 -65.787 -23.8278 -71.0973 -4.44828 -14.4578 -21.5936 -13.3523 -17.9516 TIMING: 3821000 CPU: 12402.7, 0.00312882/step Wall: 12402.7, 0.00312882/step, 1.02469 hours remaining, 234.921875 MB of memory in use. ENERGY: 3821000 3967.8756 20462.9016 14441.3918 238.0601 -203683.8164 2968.9047 0.0000 0.0000 51769.1605 -109835.5220 297.5181 -161604.6825 -109481.5484 298.2621 298.6773 331.5167 761643.8859 3.7391 3.8697 PRESSURE: 3821200 244.566 46.5717 -69.6715 46.5725 -398.025 76.5369 -69.6716 76.5372 -401.172 GPRESSURE: 3821200 202.225 -5.12923 -153.385 68.3248 -252.838 73.2826 19.5147 -68.2179 -411.443 PRESSAVG: 3821200 20.3131 -13.5339 -67.8656 -13.5339 13.4319 -38.7959 -67.8656 -38.7959 -15.2327 GPRESSAVG: 3821200 19.8618 -15.2962 -66.5584 -10.2874 14.0466 -39.2663 -68.698 -40.6555 -15.1869 TIMING: 3821200 CPU: 12403.3, 0.00312623/step Wall: 12403.3, 0.00312623/step, 1.02367 hours remaining, 234.992188 MB of memory in use. ENERGY: 3821200 3969.2566 20363.6000 14427.0157 233.5898 -203202.9176 2297.3145 0.0000 0.0000 52070.1116 -109842.0295 299.2476 -161912.1411 -109479.1095 297.9049 -184.8770 -154.0186 762577.0092 6.1708 6.2405 PRESSURE: 3821400 -121.543 109.59 51.1811 109.59 -42.5606 -72.2009 51.1805 -72.2008 248.357 GPRESSURE: 3821400 -79.1427 20.5705 -28.311 135.916 5.51023 21.2693 123.577 -5.56727 254.804 PRESSAVG: 3821400 -25.3322 14.6615 -17.5157 14.6615 8.84196 -54.4402 -17.5157 -54.4402 -9.67933 GPRESSAVG: 3821400 -24.1856 12.6445 -18.1804 13.1025 7.8005 -55.3196 -15.6024 -52.379 -9.51128 TIMING: 3821400 CPU: 12404, 0.00311788/step Wall: 12404, 0.00311788/step, 1.02076 hours remaining, 234.992188 MB of memory in use. ENERGY: 3821400 3911.9106 20417.6377 14368.7595 264.7904 -203085.6081 2417.8439 0.0000 0.0000 52048.3632 -109656.3028 299.1227 -161704.6660 -109293.9693 298.4410 28.0847 60.3906 762365.7764 -8.7232 -8.6321 PRESSURE: 3821600 -73.731 -47.1885 -55.0146 -47.1882 -30.0694 48.5169 -55.0145 48.5165 -212.221 GPRESSURE: 3821600 46.3617 -68.8042 -11.7985 -132.211 -1.50942 120.908 -53.6036 20.2766 -264.595 PRESSAVG: 3821600 45.957 -21.6687 11.2073 -21.6688 -28.1414 -17.6991 11.2073 -17.699 -3.63694 GPRESSAVG: 3821600 46.999 -17.5684 10.7206 -21.4619 -28.0182 -18.847 12.9062 -17.3805 -4.44595 TIMING: 3821600 CPU: 12404.6, 0.00312251/step Wall: 12404.6, 0.00312251/step, 1.0221 hours remaining, 234.992188 MB of memory in use. ENERGY: 3821600 3910.1813 20435.6942 14421.4559 236.9165 -202908.6141 2221.5132 0.0000 0.0000 51989.1462 -109693.7068 298.7823 -161682.8531 -109332.4760 298.6904 -105.3404 -73.2477 761845.5501 4.7262 4.8449 PRESSURE: 3821800 446.09 -70.9347 -23.7479 -70.935 -181.559 -214.601 -23.7487 -214.602 -22.0022 GPRESSURE: 3821800 423.729 -61.2481 -23.2743 -64.7192 -58.1018 -229.433 55.4499 -251.066 -52.9661 PRESSAVG: 3821800 33.2571 -37.9181 2.85649 -37.9181 -66.9641 -12.7222 2.85653 -12.7223 18.8652 GPRESSAVG: 3821800 31.6948 -39.8217 4.20524 -38.0714 -67.3139 -11.7424 1.27792 -14.5092 20.2707 TIMING: 3821800 CPU: 12405.2, 0.00312382/step Wall: 12405.2, 0.00312382/step, 1.02236 hours remaining, 234.992188 MB of memory in use. ENERGY: 3821800 4027.6178 20447.2596 14426.8155 255.0534 -203314.2668 2701.0258 0.0000 0.0000 51978.8836 -109477.6112 298.7234 -161456.4948 -109125.4432 298.7897 80.8431 104.2204 761408.6178 -4.9473 -5.1161 PRESSURE: 3822000 82.6467 -160.227 29.658 -160.228 -147.256 -178.282 29.6576 -178.283 20.4121 GPRESSURE: 3822000 62.4121 -167.376 -22.0649 -79.4871 -67.1157 -108.614 -2.08913 -189.331 56.8465 PRESSAVG: 3822000 12.688 -46.0886 -19.9479 -46.0886 -56.7594 -24.3841 -19.9479 -24.3841 7.58483 GPRESSAVG: 3822000 14.131 -45.7588 -21.1809 -44.5186 -58.0987 -24.1678 -19.0075 -23.2493 7.67203 TIMING: 3822000 CPU: 12405.8, 0.00311558/step Wall: 12405.8, 0.00311558/step, 1.01949 hours remaining, 234.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3822000 3957.6496 20511.8063 14455.4578 270.5506 -203118.0580 2477.5630 0.0000 0.0000 52047.7383 -109397.2924 299.1191 -161445.0307 -109035.6993 299.1622 -14.7323 17.3810 761945.6103 -12.1622 -12.0986 PRESSURE: 3822200 92.2048 -353.555 -122.225 -353.555 -294.737 -99.4036 -122.226 -99.4032 -93.8401 GPRESSURE: 3822200 136.518 -315.319 -130.804 -139.444 -252.491 -108.753 -161.355 -44.3061 -103.402 PRESSAVG: 3822200 28.3445 -57.9746 -20.5799 -57.9745 11.5936 -73.7876 -20.58 -73.7876 4.67903 GPRESSAVG: 3822200 27.7659 -56.0057 -20.4836 -58.6452 11.3992 -74.8289 -21.553 -73.5869 5.1728 TIMING: 3822200 CPU: 12406.5, 0.00312402/step Wall: 12406.5, 0.00312402/step, 1.02208 hours remaining, 235.191406 MB of memory in use. ENERGY: 3822200 3981.2368 20497.7854 14435.1081 255.1449 -202988.7507 2539.0972 0.0000 0.0000 51943.3983 -109336.9800 298.5194 -161280.3783 -108989.8401 299.1632 -98.7906 -73.1249 761575.0098 14.8724 14.7793 PRESSURE: 3822400 289.838 -19.7315 -353.188 -19.7309 -300.204 151.788 -353.187 151.789 -348.56 GPRESSURE: 3822400 170.949 23.9366 -318.556 0.847765 -193.217 24.9648 -216.203 170.09 -262.19 PRESSAVG: 3822400 -8.04237 -85.8806 -77.2434 -85.8806 -23.1481 42.995 -77.2433 42.995 15.54 GPRESSAVG: 3822400 -9.25222 -88.3831 -74.3076 -84.6182 -21.9758 43.0186 -77.1152 43.2721 15.4552 TIMING: 3822400 CPU: 12407.1, 0.00312652/step Wall: 12407.1, 0.00312652/step, 1.02272 hours remaining, 235.191406 MB of memory in use. ENERGY: 3822400 3995.2127 20448.2881 14431.9457 227.9524 -202585.4253 1977.4740 0.0000 0.0000 52254.8043 -109249.7480 300.3091 -161504.5523 -108874.9308 299.5382 -119.6419 -94.8195 760541.5406 -5.2168 -5.2576 PRESSURE: 3822600 24.2247 -104.417 205.739 -104.418 237.059 54.4819 205.739 54.4817 391.186 GPRESSURE: 3822600 58.4176 -97.8214 210.114 -50.2418 306.073 22.99 167.371 15.6458 398.072 PRESSAVG: 3822600 45.3323 -52.3027 -58.9649 -52.3027 -41.5371 30.2032 -58.9649 30.2032 12.7616 GPRESSAVG: 3822600 45.635 -50.8243 -60.0634 -52.858 -40.0049 30.8912 -59.6418 28.086 11.6335 TIMING: 3822600 CPU: 12407.7, 0.00312806/step Wall: 12407.7, 0.00312806/step, 1.02305 hours remaining, 235.191406 MB of memory in use. ENERGY: 3822600 3894.2996 20346.4236 14434.9547 246.2749 -202679.4232 2545.3929 0.0000 0.0000 52312.8933 -108899.1844 300.6429 -161212.0777 -108530.6912 299.7020 217.4897 254.1877 761115.7115 5.5189 5.7546 PRESSURE: 3822800 199.82 -11.7726 -91.9697 -11.7731 317.001 48.8551 -91.9699 48.8552 -34.6537 GPRESSURE: 3822800 287.585 56.6073 -53.7492 -50.1293 353.508 45.5654 -152.394 82.2238 -67.6283 PRESSAVG: 3822800 27.8653 -75.2991 -53.5639 -75.2991 -28.5599 28.5511 -53.5639 28.5511 23.6546 GPRESSAVG: 3822800 27.2842 -74.7955 -52.6619 -77.2552 -28.5151 26.508 -53.9719 30.9628 24.4139 TIMING: 3822800 CPU: 12408.3, 0.0031281/step Wall: 12408.3, 0.0031281/step, 1.02289 hours remaining, 235.191406 MB of memory in use. ENERGY: 3822800 3999.0985 20432.5172 14401.9674 249.7170 -202889.0216 2622.2109 0.0000 0.0000 52177.4759 -109006.0348 299.8647 -161183.5107 -108646.3241 300.4101 160.7224 191.1549 760294.6497 7.6533 7.7277 PRESSURE: 3823000 -145 -82.2369 166.568 -82.2371 93.0239 129.795 166.567 129.794 218.966 GPRESSURE: 3823000 -25.0483 -53.3418 143.913 -67.907 70.2554 199.393 96.9321 66.5233 195.292 PRESSAVG: 3823000 54.8426 -60.2492 -7.36375 -60.2492 -7.09654 -54.8255 -7.36378 -54.8255 -3.40297 GPRESSAVG: 3823000 56.0289 -59.9486 -8.29001 -59.4452 -7.3073 -53.669 -6.46221 -56.9157 -3.68088 TIMING: 3823000 CPU: 12409, 0.00311324/step Wall: 12409, 0.00311324/step, 1.01786 hours remaining, 235.191406 MB of memory in use. ENERGY: 3823000 3952.4659 20436.5893 14439.5552 248.8864 -202819.3107 2546.1945 0.0000 0.0000 52252.7745 -108942.8451 300.2974 -161195.6195 -108577.3863 300.3090 55.6632 80.1664 762444.4071 14.7810 15.0136 PRESSURE: 3823200 427.293 200.536 -41.9574 200.535 121.293 -25.1023 -41.9573 -25.1014 48.9084 GPRESSURE: 3823200 311.745 191.236 -120.01 64.6216 249.281 38.7493 56.6979 0.816625 110.186 PRESSAVG: 3823200 31.5643 -41.5419 -23.3803 -41.5419 -11.3836 11.0822 -23.3802 11.0822 10.5413 GPRESSAVG: 3823200 30.5105 -39.9992 -25.0739 -43.6529 -11.5746 10.2358 -23.476 12.0397 10.9551 TIMING: 3823200 CPU: 12409.6, 0.00310565/step Wall: 12409.6, 0.00310565/step, 1.0152 hours remaining, 235.191406 MB of memory in use. ENERGY: 3823200 4000.9443 20475.0019 14359.9046 234.0283 -202767.9094 2327.2562 0.0000 0.0000 52298.3465 -109072.4276 300.5593 -161370.7742 -108705.6929 299.9148 199.1648 223.7374 760267.2358 10.2407 9.9637 PRESSURE: 3823400 210.14 107.454 -149.344 107.455 -53.9058 -54.3103 -149.344 -54.3119 -8.43514 GPRESSURE: 3823400 241.345 109.266 -79.2293 68.1551 -35.9356 -33.6591 -140.74 -102.161 40.4196 PRESSAVG: 3823400 39.7499 4.67371 -15.3669 4.67371 -31.3142 -7.66317 -15.3669 -7.66322 23.6664 GPRESSAVG: 3823400 40.7912 2.71236 -14.584 7.27724 -32.6692 -5.37698 -16.403 -8.80177 24.3693 TIMING: 3823400 CPU: 12410.2, 0.00311732/step Wall: 12410.2, 0.00311732/step, 1.01885 hours remaining, 235.191406 MB of memory in use. ENERGY: 3823400 3927.3684 20550.5351 14383.0673 252.1758 -202725.5556 2232.8427 0.0000 0.0000 52163.0595 -109216.5069 299.7818 -161379.5664 -108854.3967 300.1777 49.2664 81.9431 761426.0368 10.7007 10.8304 PRESSURE: 3823600 70.3022 191.561 -71.8013 191.561 57.7267 -103.569 -71.8014 -103.57 70.5595 GPRESSURE: 3823600 103.75 219.576 -38.8227 270.718 54.7387 -91.837 -35.8218 -123.158 111.218 PRESSAVG: 3823600 -14.963 -19.2701 1.99481 -19.27 -2.77317 -23.0012 1.99476 -23.0012 -30.1558 GPRESSAVG: 3823600 -14.3936 -20.4016 3.07512 -20.5733 -2.68487 -25.2061 2.36075 -22.8067 -30.7225 TIMING: 3823600 CPU: 12410.8, 0.00314207/step Wall: 12410.8, 0.00314207/step, 1.02676 hours remaining, 235.191406 MB of memory in use. ENERGY: 3823600 3967.6357 20481.3927 14373.1887 244.9599 -202559.7545 2213.3157 0.0000 0.0000 51936.0776 -109343.1843 298.4774 -161279.2619 -108977.1044 299.3176 66.1961 89.9024 761847.3060 -15.9640 -15.9337 PRESSURE: 3823800 90.7876 107.283 -108.257 107.283 -79.1177 58.028 -108.257 58.0284 66.0519 GPRESSURE: 3823800 33.1621 12.6815 75.6154 29.7001 51.6955 87.7205 -160.923 51.9719 61.8424 PRESSAVG: 3823800 14.6747 -45.6722 -18.1691 -45.6722 -21.6792 42.0971 -18.1692 42.0972 -2.47289 GPRESSAVG: 3823800 14.9786 -44.9577 -18.3044 -44.7385 -21.6829 43.5927 -17.7236 41.273 -2.36638 TIMING: 3823800 CPU: 12411.5, 0.00313037/step Wall: 12411.5, 0.00313037/step, 1.02276 hours remaining, 235.191406 MB of memory in use. ENERGY: 3823800 4070.1600 20645.9069 14372.0087 238.8241 -203137.0102 2554.8097 0.0000 0.0000 51989.5416 -109265.7592 298.7846 -161255.3009 -108907.0807 299.2690 25.9073 48.9000 761328.6738 -3.1591 -3.0236 PRESSURE: 3824000 -1.7193 -42.3541 -270.54 -42.3522 114.758 -175.469 -270.54 -175.469 123.223 GPRESSURE: 3824000 75.5841 -0.389045 -243.298 -99.0913 61.8756 -336.324 -281.878 -134.537 203.8 PRESSAVG: 3824000 42.1086 -53.086 -6.55727 -53.086 -35.8933 -11.1871 -6.55729 -11.1871 -12.9851 GPRESSAVG: 3824000 42.0727 -52.1667 -6.29621 -55.825 -34.3579 -12.6155 -7.6337 -9.45213 -13.9325 TIMING: 3824000 CPU: 12412.1, 0.00313177/step Wall: 12412.1, 0.00313177/step, 1.02305 hours remaining, 235.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3824000 4019.6117 20359.3237 14402.0679 232.8775 -203170.0503 2433.3546 0.0000 0.0000 52148.2360 -109574.5789 299.6966 -161722.8149 -109207.2747 298.9428 78.7536 113.7531 761697.7679 -2.2566 -2.0726 PRESSURE: 3824200 -104.396 126.261 -12.2389 126.261 -210.081 90.7742 -12.2383 90.7747 -107.57 GPRESSURE: 3824200 -102.649 182.707 -64.7112 248.836 -180.576 136.185 123.601 128.614 -28.6456 PRESSAVG: 3824200 86.7058 17.3226 -38.8825 17.3226 -75.0817 20.3873 -38.8826 20.3873 2.87059 GPRESSAVG: 3824200 87.097 16.7055 -39.3289 19.9523 -75.9194 20.9093 -37.8185 18.357 3.5722 TIMING: 3824200 CPU: 12412.7, 0.00313244/step Wall: 12412.7, 0.00313244/step, 1.02309 hours remaining, 235.191406 MB of memory in use. ENERGY: 3824200 3954.4068 20478.5072 14413.7634 245.6850 -203250.9168 2358.2048 0.0000 0.0000 52111.7233 -109688.6262 299.4868 -161800.3495 -109324.1134 298.8552 -140.6821 -103.9569 761584.4352 4.8316 4.9166 LDB: ============= START OF LOAD BALANCING ============== 12425.1 LDB: ============== END OF LOAD BALANCING =============== 12425.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12425.1 LDB: ============= START OF LOAD BALANCING ============== 12425.5 LDB: Largest compute 7033 load 0.032597 is 16.7% of average load 0.195473 LDB: Average compute 0.004406 is 2.3% of average load 0.195473 LDB: TIME 12425.5 LOAD: AVG 0.195473 MAX 0.220495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.219 MB LDB: TIME 12425.5 LOAD: AVG 0.195473 MAX 0.220495 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: TIME 12425.5 LOAD: AVG 0.195473 MAX 0.217781 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: ============== END OF LOAD BALANCING =============== 12425.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12425.5 PRESSURE: 3824400 30.7548 -90.05 163.096 -90.0504 -218.903 -206.782 163.095 -206.781 11.2532 GPRESSURE: 3824400 65.4301 -116.993 178.234 -89.4605 -160.146 -220.299 94.8495 -95.4116 -10.8162 PRESSAVG: 3824400 2.24039 -33.8531 -12.8939 -33.853 -27.4386 6.23881 -12.894 6.2388 29.7555 GPRESSAVG: 3824400 1.86815 -36.1787 -13.9481 -34.6479 -27.8583 6.93757 -11.8718 8.95091 29.8157 TIMING: 3824400 CPU: 12413.4, 0.00321817/step Wall: 12413.4, 0.00321817/step, 1.05091 hours remaining, 234.082031 MB of memory in use. ENERGY: 3824400 4022.4119 20553.5989 14428.9188 249.8253 -203030.3022 2312.1163 0.0000 0.0000 51980.5234 -109482.9076 298.7328 -161463.4310 -109121.9034 298.6018 -58.9649 -35.1773 762116.7345 1.5191 1.2752 PRESSURE: 3824600 -225.215 -175.386 -139.424 -175.386 -227.27 136.079 -139.424 136.078 -9.30835 GPRESSURE: 3824600 -202.974 -192.518 -210.567 -155.366 -216.457 54.1952 -167.879 76.4885 29.3131 PRESSAVG: 3824600 76.3512 -47.0485 -12.4091 -47.0486 -72.7367 -16.356 -12.4091 -16.356 -7.28489 GPRESSAVG: 3824600 76.1973 -45.0518 -12.0825 -45.8773 -72.9809 -15.8227 -12.8343 -18.7499 -6.76059 TIMING: 3824600 CPU: 12414, 0.00311989/step Wall: 12414, 0.00311989/step, 1.01864 hours remaining, 234.476562 MB of memory in use. ENERGY: 3824600 3982.4662 20472.7449 14359.7634 243.9543 -203458.4508 2493.1230 0.0000 0.0000 52383.2428 -109523.1563 301.0472 -161906.3991 -109155.7460 299.2877 -153.9311 -130.0394 761401.4081 -1.2235 -1.1814 PRESSURE: 3824800 152.206 21.3223 89.0023 21.3243 237.393 -14.0181 89.002 -14.0169 -136.338 GPRESSURE: 3824800 217.471 49.9828 92.4537 -82.7113 278.933 -20.9987 36.8295 -50.7521 -161.821 PRESSAVG: 3824800 19.4948 -18.2296 -4.19915 -18.2296 -10.1831 72.7149 -4.1992 72.7148 -9.36448 GPRESSAVG: 3824800 19.7271 -17.6957 -1.98895 -21.3495 -10.0096 72.5557 -5.48146 73.587 -10.0925 TIMING: 3824800 CPU: 12414.6, 0.00311389/step Wall: 12414.6, 0.00311389/step, 1.01651 hours remaining, 234.546875 MB of memory in use. ENERGY: 3824800 3997.9492 20550.7753 14485.2066 276.8808 -203448.0609 2646.0046 0.0000 0.0000 52175.1468 -109316.0976 299.8513 -161491.2444 -108954.4829 299.2324 84.4202 111.5278 761692.0017 -0.0176 -0.1250 PRESSURE: 3825000 -58.637 -207.127 45.2475 -207.126 259.924 348.328 45.2478 348.327 513.676 GPRESSURE: 3825000 16.6637 -145.095 41.7673 -211.756 225.389 375.376 172.797 272.836 561.628 PRESSAVG: 3825000 49.5566 -41.6558 30.518 -41.6558 -36.0457 -7.33423 30.518 -7.33414 21.4715 GPRESSAVG: 3825000 50.1431 -41.1312 29.1133 -38.3095 -35.3347 -6.8302 31.9381 -8.4895 20.6816 TIMING: 3825000 CPU: 12415.2, 0.00312312/step Wall: 12415.2, 0.00312312/step, 1.01935 hours remaining, 234.546875 MB of memory in use. ENERGY: 3825000 4063.5813 20431.4462 14510.2015 265.4049 -203503.2442 2729.4969 0.0000 0.0000 52001.3091 -109501.8042 298.8522 -161503.1134 -109137.7229 299.3908 238.3211 267.8938 761904.1056 11.6608 11.8300 PRESSURE: 3825200 139.078 190.307 164.139 190.308 -54.8055 72.946 164.137 72.9462 -439.78 GPRESSURE: 3825200 61.7086 168.929 225.491 148.322 55.2442 44.4055 174.364 20.8621 -389.519 PRESSAVG: 3825200 73.247 -13.6234 31.8008 -13.6234 -29.0195 13.3921 31.8007 13.392 2.43899 GPRESSAVG: 3825200 72.0729 -14.1614 32.096 -12.3001 -28.041 12.5387 32.1419 12.3719 3.35164 TIMING: 3825200 CPU: 12415.9, 0.00314193/step Wall: 12415.9, 0.00314193/step, 1.02532 hours remaining, 234.546875 MB of memory in use. ENERGY: 3825200 4046.0078 20657.3806 14528.4673 247.7398 -203449.4512 2631.5115 0.0000 0.0000 51968.8795 -109369.4648 298.6659 -161338.3443 -109014.7177 299.2722 -118.5027 -90.8552 762200.3441 15.5555 15.7945 PRESSURE: 3825400 -319.179 -281.419 -43.9283 -281.419 -35.2713 86.3885 -43.9287 86.3886 -98.0922 GPRESSURE: 3825400 -263.72 -220.668 -38.0164 -316.109 -13.8967 61.4775 -100.518 -51.7644 -87.3939 PRESSAVG: 3825400 41.016 -58.8255 3.69087 -58.8255 -2.8486 62.8616 3.6909 62.8616 -2.81051 GPRESSAVG: 3825400 41.9393 -61.0422 2.62879 -58.7486 -4.63413 63.0558 3.32645 64.7599 -2.07006 TIMING: 3825400 CPU: 12416.5, 0.00312818/step Wall: 12416.5, 0.00312818/step, 1.02066 hours remaining, 234.750000 MB of memory in use. ENERGY: 3825400 3988.6538 20503.3690 14436.0249 266.6372 -203590.0316 2753.4137 0.0000 0.0000 52214.8226 -109427.1103 300.0793 -161641.9330 -109068.7993 299.0992 -150.8476 -121.6702 762782.3695 11.7856 11.7450 PRESSURE: 3825600 211.487 -124.439 0.415907 -124.439 -150.291 -73.6019 0.416024 -73.6017 -111.581 GPRESSURE: 3825600 150.266 17.4923 33.1354 -87.6633 -102.905 24.9868 -28.7555 -79.8098 -4.14085 PRESSAVG: 3825600 -30.1742 -68.8217 14.2685 -68.8217 7.24113 -0.293521 14.2685 -0.293564 -0.517553 GPRESSAVG: 3825600 -30.6109 -66.4636 15.1272 -71.449 7.02798 0.0265349 14.8655 -2.34138 -0.641839 TIMING: 3825600 CPU: 12417.1, 0.00311677/step Wall: 12417.1, 0.00311677/step, 1.01676 hours remaining, 234.750000 MB of memory in use. ENERGY: 3825600 4019.9866 20449.4268 14458.4654 254.2224 -203075.4143 2351.2233 0.0000 0.0000 52206.3692 -109335.7207 300.0307 -161542.0899 -108979.0087 299.3695 -16.7947 14.4066 761816.3817 -7.8169 -8.0749 PRESSURE: 3825800 -47.7456 -16.1251 -40.0888 -16.1251 156.387 -42.7577 -40.088 -42.7592 -5.26141 GPRESSURE: 3825800 -54.3704 0.842093 -46.8711 15.6849 236.481 -62.7482 -127.133 -25.8912 6.36761 PRESSAVG: 3825800 46.4717 -29.6035 -41.9975 -29.6036 -65.1186 0.752159 -41.9975 0.752165 -10.9497 GPRESSAVG: 3825800 46.0543 -29.767 -42.3345 -27.8783 -64.5935 0.318393 -41.3594 1.71084 -10.8528 TIMING: 3825800 CPU: 12417.7, 0.00312369/step Wall: 12417.7, 0.00312369/step, 1.01884 hours remaining, 234.750000 MB of memory in use. ENERGY: 3825800 4033.0797 20495.5535 14391.5515 230.7482 -202997.2822 2588.2856 0.0000 0.0000 52169.1761 -109088.8876 299.8170 -161258.0637 -108729.3435 299.2623 34.4600 62.8261 760578.3194 -9.8655 -9.7974 PRESSURE: 3826000 -201.257 170.318 206.76 170.318 -374.048 182.298 206.762 182.297 365.793 GPRESSURE: 3826000 -56.7844 136.046 164.538 209.099 -391.748 210.089 84.7914 191.516 330.519 PRESSAVG: 3826000 44.6591 -2.40364 -0.475808 -2.40364 -43.758 33.229 -0.475821 33.2291 -5.98965 GPRESSAVG: 3826000 44.9549 -2.15392 0.00714127 -4.00472 -43.1289 32.7527 -3.60706 34.841 -6.86911 TIMING: 3826000 CPU: 12418.4, 0.00311881/step Wall: 12418.4, 0.00311881/step, 1.01708 hours remaining, 234.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3826000 3990.6561 20623.5576 14351.8221 242.3787 -202600.2242 2120.8127 0.0000 0.0000 52345.6958 -108925.3012 300.8314 -161270.9969 -108553.0015 300.1001 -69.8372 -39.3379 760840.4235 -1.6962 -1.6810 PRESSURE: 3826200 -152.094 -204.181 63.9982 -204.181 -105.451 -18.6613 63.9984 -18.6611 -263.803 GPRESSURE: 3826200 -162.011 -158.903 106.158 -161.572 -42.5853 -88.0892 -108.751 133.84 -236.151 PRESSAVG: 3826200 18.7193 8.97232 9.50182 8.97244 -39.8373 -1.56549 9.50187 -1.56552 7.36067 GPRESSAVG: 3826200 18.7787 8.3014 10.1355 9.91315 -40.1018 -1.62725 11.5647 -2.04112 7.83607 TIMING: 3826200 CPU: 12419, 0.00312532/step Wall: 12419, 0.00312532/step, 1.01903 hours remaining, 234.750000 MB of memory in use. ENERGY: 3826200 3980.9496 20416.9571 14482.1826 247.1920 -202624.5138 2079.3673 0.0000 0.0000 52417.1968 -109000.6684 301.2424 -161417.8652 -108628.8852 300.5655 -173.7825 -146.9158 760242.3149 -4.5858 -4.4957 PRESSURE: 3826400 -259.845 -207.658 148.573 -207.658 -424.461 47.5262 148.574 47.5247 -456.733 GPRESSURE: 3826400 -271.112 -221.939 22.0959 -166.666 -355.005 15.1464 149.413 185.174 -414.848 PRESSAVG: 3826400 20.4129 -34.085 -0.268038 -34.0851 -29.4256 -5.37242 -0.267995 -5.37238 -17.9427 GPRESSAVG: 3826400 19.9399 -33.0433 -2.2246 -36.4171 -30.1308 -4.66264 -1.37548 -4.96931 -17.3021 TIMING: 3826400 CPU: 12419.6, 0.00312799/step Wall: 12419.6, 0.00312799/step, 1.01972 hours remaining, 234.750000 MB of memory in use. ENERGY: 3826400 4056.0382 20444.2654 14425.4099 251.8615 -202901.9211 2619.5255 0.0000 0.0000 51996.3899 -109108.4308 298.8240 -161104.8207 -108756.6243 299.3752 -380.3466 -346.9884 763248.1033 -8.9851 -9.1643 PRESSURE: 3826600 -73.2256 -79.9596 -63.0974 -79.9605 -117.975 -58.2911 -63.0978 -58.2908 -64.1846 GPRESSURE: 3826600 5.17477 -88.9019 -119.421 -27.9736 -125.188 -104.192 -131.598 -11.9383 -53.319 PRESSAVG: 3826600 10.6801 -39.7741 60.7141 -39.7741 -12.5929 49.7634 60.7141 49.7635 -11.3473 GPRESSAVG: 3826600 10.0219 -40.1835 61.4847 -37.847 -10.5325 49.5161 60.3954 48.8862 -13.0726 TIMING: 3826600 CPU: 12420.2, 0.00314035/step Wall: 12420.2, 0.00314035/step, 1.02358 hours remaining, 234.750000 MB of memory in use. ENERGY: 3826600 4072.3525 20614.1742 14411.0787 254.3574 -203041.8998 2505.4471 0.0000 0.0000 51911.6145 -109272.8755 298.3368 -161184.4900 -108916.5674 299.4081 -85.1285 -57.7776 761781.5302 -4.4200 -4.5277 PRESSURE: 3826800 54.6856 11.8501 11.2835 11.8487 -53.5228 12.9631 11.2825 12.9632 -141.772 GPRESSURE: 3826800 62.2553 82.8443 -20.4002 66.9688 -4.01343 -48.6642 71.2481 -38.1878 -119.451 PRESSAVG: 3826800 76.2182 -59.6016 21.052 -59.6016 -58.4578 2.29445 21.052 2.29444 -12.76 GPRESSAVG: 3826800 76.3656 -59.1485 22.4706 -60.2234 -59.8993 2.39677 23.1341 2.23663 -10.5725 TIMING: 3826800 CPU: 12420.9, 0.00312857/step Wall: 12420.9, 0.00312857/step, 1.01957 hours remaining, 234.750000 MB of memory in use. ENERGY: 3826800 3928.6442 20531.4468 14486.2608 241.5911 -202870.7348 2238.7944 0.0000 0.0000 52237.1825 -109206.8151 300.2078 -161443.9976 -108834.3165 299.4127 -46.8699 -20.4030 760801.0228 1.6668 1.9646 PRESSURE: 3827000 36.8838 317.627 51.6774 317.627 -246.93 -177.339 51.6778 -177.338 -15.051 GPRESSURE: 3827000 65.7595 175.077 -15.3515 332.976 -205.33 -133.473 14.2952 -220.628 -7.63345 PRESSAVG: 3827000 1.05866 -15.4649 -5.76549 -15.465 -13.112 -22.4093 -5.76553 -22.4092 -15.9983 GPRESSAVG: 3827000 2.1574 -16.0392 -6.81297 -13.201 -13.5935 -22.0089 -6.11141 -22.1793 -16.7488 TIMING: 3827000 CPU: 12421.5, 0.0031217/step Wall: 12421.5, 0.0031217/step, 1.01715 hours remaining, 234.750000 MB of memory in use. ENERGY: 3827000 4060.1475 20696.3317 14482.2423 239.8061 -203061.6949 2541.9657 0.0000 0.0000 52098.4401 -108942.7614 299.4105 -161041.2016 -108586.0832 300.0825 -75.0325 -49.0680 760919.2995 -9.3505 -9.3950 PRESSURE: 3827200 520.578 -183.273 -78.0684 -183.274 81.1624 40.2047 -78.069 40.2058 363.448 GPRESSURE: 3827200 537.8 -147.496 -85.5039 -256.678 117.77 45.0406 -21.4584 131.677 411.994 PRESSAVG: 3827200 101.94 -0.896909 18.1025 -0.896935 -22.986 31.2818 18.1026 31.2818 4.52001 GPRESSAVG: 3827200 102.121 -0.041927 17.7639 -2.72098 -22.3169 30.6391 18.2124 32.3653 3.40421 TIMING: 3827200 CPU: 12422.1, 0.00314585/step Wall: 12422.1, 0.00314585/step, 1.02485 hours remaining, 234.750000 MB of memory in use. ENERGY: 3827200 4005.5583 20502.3009 14514.0397 254.2947 -202932.7417 2572.4868 0.0000 0.0000 52209.1329 -108874.9284 300.0466 -161084.0614 -108520.6254 300.6265 321.7297 355.8547 759944.9248 27.8246 27.7360 PRESSURE: 3827400 -180.573 -150.731 -77.4922 -150.73 1.7213 -260.477 -77.4926 -260.476 234.11 GPRESSURE: 3827400 -203.873 -128.974 -51.1855 -102.645 46.3574 -247.9 -86.6785 -197.241 300.528 PRESSAVG: 3827400 53.2594 -67.4437 0.906293 -67.4437 -41.885 40.9856 0.906276 40.9856 15.9387 GPRESSAVG: 3827400 51.84 -69.2623 0.408071 -68.803 -41.8096 39.9608 -0.19937 42.2877 17.1906 TIMING: 3827400 CPU: 12422.7, 0.00313905/step Wall: 12422.7, 0.00313905/step, 1.02246 hours remaining, 234.750000 MB of memory in use. ENERGY: 3827400 3952.9561 20485.4433 14506.5102 252.0258 -203120.7987 2570.2140 0.0000 0.0000 52198.1900 -109155.4593 299.9837 -161353.6493 -108794.4931 300.2215 18.4197 47.6708 762037.7165 9.1044 9.0737 PRESSURE: 3827600 370.685 -119.429 11.4481 -119.428 221.452 -17.1522 11.448 -17.1509 -159.45 GPRESSURE: 3827600 428.032 -112.086 -53.151 -8.68967 234.552 -82.343 76.0574 50.9211 -154.112 PRESSAVG: 3827600 30.3272 -55.763 -5.32495 -55.763 -29.0376 -9.49813 -5.32494 -9.49807 -12.7842 GPRESSAVG: 3827600 31.2304 -54.3873 -5.97512 -54.8832 -29.6339 -9.89771 -4.14568 -10.9264 -12.895 TIMING: 3827600 CPU: 12423.4, 0.00311951/step Wall: 12423.4, 0.00311951/step, 1.01592 hours remaining, 234.750000 MB of memory in use. ENERGY: 3827600 3970.9105 20277.3671 14514.6647 245.4501 -203344.4513 2613.9375 0.0000 0.0000 52315.6626 -109406.4587 300.6588 -161722.1213 -109040.8907 299.7098 144.2289 169.4908 761543.5810 -3.8315 -3.7662 PRESSURE: 3827800 -103.769 -279.169 -53.2437 -279.168 -188.463 128.635 -53.2439 128.636 -66.3756 GPRESSURE: 3827800 -116.099 -297.64 22.2438 -209.48 -184.294 -53.4189 -14.3628 107.303 16.5112 PRESSAVG: 3827800 -2.12894 -30.3878 -51.4444 -30.3878 -36.0496 19.3175 -51.4443 19.3175 1.44181 GPRESSAVG: 3827800 -2.60058 -30.4961 -48.4689 -29.8977 -35.5785 18.3653 -53.6933 20.419 0.658185 TIMING: 3827800 CPU: 12424, 0.00313822/step Wall: 12424, 0.00313822/step, 1.02184 hours remaining, 234.750000 MB of memory in use. ENERGY: 3827800 4038.7515 20559.0385 14507.6204 255.0950 -203395.0003 2627.8316 0.0000 0.0000 52073.1634 -109333.5000 299.2652 -161406.6634 -108972.9588 299.3058 -119.5359 -94.6272 763048.9455 -12.2456 -12.5070 PRESSURE: 3828000 -130.243 -22.5 34.3401 -22.5005 -331.827 102.92 34.3403 102.919 -311.467 GPRESSURE: 3828000 -75.2588 -9.14052 -41.8623 98.1432 -298.941 155.46 97.8423 50.1764 -306.539 PRESSAVG: 3828000 80.7125 -45.4688 -15.5944 -45.4688 -19.2257 -3.71887 -15.5944 -3.71887 -20.8306 GPRESSAVG: 3828000 80.2145 -48.0059 -17.3184 -44.479 -18.7894 -1.41455 -13.0608 -5.29169 -21.0839 TIMING: 3828000 CPU: 12424.6, 0.00312741/step Wall: 12424.6, 0.00312741/step, 1.01814 hours remaining, 234.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3828000 3993.7958 20565.0262 14422.7682 233.3652 -203420.3553 2512.0110 0.0000 0.0000 52310.3672 -109383.0216 300.6284 -161693.3888 -109017.8983 299.8624 -257.8457 -226.9128 763316.2350 13.5520 13.4471 PRESSURE: 3828200 -242.945 -40.7318 103.523 -40.7325 85.6764 12.0708 103.523 12.0704 -648.143 GPRESSURE: 3828200 -253.609 14.8276 176.546 32.4466 46.5238 -53.6923 91.3053 199.295 -513.82 PRESSAVG: 3828200 97.3168 -24.8748 35.188 -24.8748 -41.5659 27.2621 35.188 27.2622 0.212726 GPRESSAVG: 3828200 97.6645 -23.1908 35.154 -25.3285 -42.5281 27.0222 32.8185 28.1295 1.43906 TIMING: 3828200 CPU: 12425.2, 0.00313128/step Wall: 12425.2, 0.00313128/step, 1.01923 hours remaining, 234.750000 MB of memory in use. ENERGY: 3828200 3992.7332 20631.1942 14418.1633 266.1828 -203162.2379 2235.2223 0.0000 0.0000 51968.9531 -109649.7890 298.6663 -161618.7421 -109285.8691 299.3467 -268.4707 -240.3019 761710.4190 18.6546 18.8585 LDB: ============= START OF LOAD BALANCING ============== 12437.7 LDB: ============== END OF LOAD BALANCING =============== 12437.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12437.7 LDB: ============= START OF LOAD BALANCING ============== 12438 LDB: Largest compute 7078 load 0.030770 is 15.7% of average load 0.195576 LDB: Average compute 0.004391 is 2.2% of average load 0.195576 LDB: TIME 12438 LOAD: AVG 0.195576 MAX 0.221352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 12438 LOAD: AVG 0.195576 MAX 0.221352 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 12438 LOAD: AVG 0.195576 MAX 0.21814 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 12438 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 PRESSURE: 3828400 99.3248 109.99 69.6167 109.99 -502.954 -213.517 69.6177 -213.517 36.6878 GPRESSURE: 3828400 128.4 120.084 22.1429 54.4819 -487.766 -285.703 -47.489 -203.479 83.4318 PRESSAVG: 3828400 17.2775 -8.39235 23.3354 -8.3924 -13.0757 -32.8967 23.3355 -32.8968 -14.3244 GPRESSAVG: 3828400 17.1957 -7.61752 24.4467 -8.95437 -13.03 -33.9681 26.1895 -32.9003 -14.5097 TIMING: 3828400 CPU: 12425.9, 0.00319652/step Wall: 12425.9, 0.00319652/step, 1.04029 hours remaining, 235.171875 MB of memory in use. ENERGY: 3828400 3904.8135 20751.7926 14405.9963 274.0647 -203454.1489 2414.6577 0.0000 0.0000 52033.9635 -109668.8606 299.0399 -161702.8241 -109306.8455 299.1258 -122.3137 -91.9782 760747.1958 -3.3742 -3.4480 PRESSURE: 3828600 -360.733 -152.688 -5.61781 -152.688 3.87814 -166.376 -5.61787 -166.378 -268.479 GPRESSURE: 3828600 -325.265 -120.389 21.6685 -76.244 31.9213 -127.463 33.2382 -95.0177 -254.196 PRESSAVG: 3828600 12.5597 -18.3188 15.009 -18.3188 13.5127 -37.2978 15.0089 -37.2978 -18.9751 GPRESSAVG: 3828600 12.0453 -15.9374 13.1674 -19.5518 15.0636 -36.6057 14.9343 -36.8551 -19.3069 TIMING: 3828600 CPU: 12426.5, 0.00315526/step Wall: 12426.5, 0.00315527/step, 1.02669 hours remaining, 235.445312 MB of memory in use. ENERGY: 3828600 4022.5265 20506.1614 14401.8384 259.7494 -203558.9078 2677.6721 0.0000 0.0000 52145.8143 -109545.1457 299.6827 -161690.9600 -109171.5301 299.1265 -208.4446 -182.5132 761605.4812 2.3658 2.6007 PRESSURE: 3828800 -111.169 -51.3479 265.156 -51.3478 49.2584 -284.893 265.157 -284.893 13.2261 GPRESSURE: 3828800 23.9349 -59.0117 237.115 -36.8756 -1.6894 -230.431 113.108 -285.599 -1.35498 PRESSAVG: 3828800 4.10582 -27.276 38.081 -27.276 -20.8059 -8.55516 38.081 -8.55521 10.839 GPRESSAVG: 3828800 4.44162 -29.7597 39.5311 -25.7693 -22.4745 -7.66617 36.2587 -9.6154 11.5308 TIMING: 3828800 CPU: 12427.1, 0.00314173/step Wall: 12427.1, 0.00314173/step, 1.02211 hours remaining, 235.445312 MB of memory in use. ENERGY: 3828800 3947.9119 20551.5704 14469.3692 248.8064 -203405.5354 2540.0584 0.0000 0.0000 52144.3237 -109503.4953 299.6741 -161647.8190 -109143.1282 299.1732 -16.2281 6.9635 761902.5646 -1.9537 -2.1674 PRESSURE: 3829000 3.92587 39.922 115.797 39.9214 -13.5659 26.9383 115.796 26.9384 -360.455 GPRESSURE: 3829000 69.2439 45.5596 200.145 -16.5822 -9.31549 5.15157 26.9457 -91.899 -376.067 PRESSAVG: 3829000 52.5429 -27.6082 32.228 -27.6082 -9.24319 -51.6305 32.2281 -51.6304 1.9305 GPRESSAVG: 3829000 52.6618 -26.5973 32.92 -27.3868 -9.16618 -52.5952 31.7299 -51.7027 1.64802 TIMING: 3829000 CPU: 12427.8, 0.00313471/step Wall: 12427.8, 0.00313471/step, 1.01965 hours remaining, 235.585938 MB of memory in use. ENERGY: 3829000 4000.5678 20506.0383 14420.7411 253.4515 -203395.6823 2641.6715 0.0000 0.0000 51999.4895 -109573.7226 298.8418 -161573.2121 -109206.5143 299.3904 -123.3649 -105.3796 762035.2961 15.0767 15.0479 PRESSURE: 3829200 -369.223 101.953 71.688 101.954 -254.746 -88.1659 71.6883 -88.1654 -457.014 GPRESSURE: 3829200 -320.914 68.0886 6.65907 122.829 -282.072 -79.121 85.1631 -87.2766 -379.85 PRESSAVG: 3829200 37.433 -42.401 23.4857 -42.401 -37.8113 -73.6429 23.4857 -73.643 -10.0086 GPRESSAVG: 3829200 37.3142 -43.4911 22.7867 -41.7056 -37.743 -73.8183 24.5951 -73.2758 -9.62809 TIMING: 3829200 CPU: 12428.4, 0.00313495/step Wall: 12428.4, 0.00313495/step, 1.01956 hours remaining, 235.585938 MB of memory in use. ENERGY: 3829200 3919.1317 20523.4950 14503.3343 245.3612 -203095.6359 2368.6007 0.0000 0.0000 51879.4205 -109656.2924 298.1517 -161535.7130 -109301.6347 299.3128 -360.3275 -327.6122 762022.1364 -3.4623 -3.3523 PRESSURE: 3829400 -121.99 74.4562 276.914 74.4571 -73.7013 -11.8543 276.913 -11.8546 -204.893 GPRESSURE: 3829400 -92.0917 92.1516 226.924 1.7596 91.7021 29.0128 114.241 -7.38279 -304.422 PRESSAVG: 3829400 41.6567 -43.4664 32.2905 -43.4664 -47.6971 -29.1019 32.2905 -29.1019 -11.836 GPRESSAVG: 3829400 40.8658 -44.879 32.7676 -44.7315 -46.7693 -27.2884 30.9209 -30.3342 -12.479 TIMING: 3829400 CPU: 12429, 0.00313117/step Wall: 12429, 0.00313117/step, 1.01815 hours remaining, 235.585938 MB of memory in use. ENERGY: 3829400 3984.8315 20468.3164 14406.0019 226.0277 -203233.7693 2469.6916 0.0000 0.0000 52042.5768 -109636.3233 299.0894 -161678.9002 -109275.5884 298.9211 -133.5281 -101.6038 761532.8182 -5.9588 -6.1275 PRESSURE: 3829600 -340.087 40.1316 -35.4106 40.1311 102.485 -6.2631 -35.4097 -6.26499 -141.315 GPRESSURE: 3829600 -262.404 52.6278 28.5168 15.4982 82.2483 33.6763 88.208 -146.125 -93.7112 PRESSAVG: 3829600 19.3228 -41.7632 -14.7523 -41.7632 -7.48853 1.71635 -14.7523 1.71634 10.9892 GPRESSAVG: 3829600 20.1658 -41.2553 -14.8423 -42.3803 -7.82346 1.50761 -14.8581 -0.14792 11.0015 TIMING: 3829600 CPU: 12429.7, 0.00311457/step Wall: 12429.7, 0.00311457/step, 1.01258 hours remaining, 235.585938 MB of memory in use. ENERGY: 3829600 4027.9448 20584.5046 14537.3063 231.0865 -203658.3212 2422.7473 0.0000 0.0000 52245.3148 -109609.4168 300.2545 -161854.7316 -109244.2823 299.4730 -126.3059 -91.2890 759440.3884 7.6078 7.7813 PRESSURE: 3829800 -52.124 16.2562 -20.4922 16.2569 -65.7823 34.4675 -20.4921 34.4666 -150.396 GPRESSURE: 3829800 -36.4371 45.1361 -42.6857 -80.0704 -40.8296 5.07316 7.83373 140.99 -112.88 PRESSAVG: 3829800 16.505 7.81949 -38.2711 7.81944 -11.5207 -28.5892 -38.2711 -28.5891 -16.6955 GPRESSAVG: 3829800 15.7212 7.62508 -37.8187 9.93816 -11.5423 -30.2812 -36.7906 -26.7765 -16.4459 TIMING: 3829800 CPU: 12430.3, 0.00312325/step Wall: 12430.3, 0.00312325/step, 1.01523 hours remaining, 235.585938 MB of memory in use. ENERGY: 3829800 4041.9364 20712.3264 14512.1314 244.3042 -203631.7914 2627.1178 0.0000 0.0000 52023.3284 -109470.6467 298.9788 -161493.9751 -109109.8613 299.6714 -89.4341 -63.3824 761721.4639 -3.9037 -4.0890 PRESSURE: 3830000 283.193 -92.1039 -269.645 -92.1038 247.463 236.52 -269.645 236.52 181.839 GPRESSURE: 3830000 318.963 -68.2116 -256.62 9.98552 251.955 229.122 -304.057 209.318 219.51 PRESSAVG: 3830000 51.69 -30.9059 4.65682 -30.906 -50.3682 -16.1762 4.65682 -16.1762 -18.9845 GPRESSAVG: 3830000 51.1928 -31.3854 3.54839 -31.735 -50.4732 -15.8112 4.42079 -16.1712 -19.3488 TIMING: 3830000 CPU: 12430.9, 0.00313049/step Wall: 12430.9, 0.00313049/step, 1.01741 hours remaining, 235.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3830000 4035.0041 20711.2611 14433.7586 270.7077 -203743.3187 2681.7230 0.0000 0.0000 52121.0616 -109489.8026 299.5405 -161610.8642 -109134.8076 299.5095 237.4982 263.4759 760802.7178 -5.8875 -6.2097 PRESSURE: 3830200 -153.426 -275.311 -78.6758 -275.311 -125.538 -15.9857 -78.6762 -15.9858 -101.236 GPRESSURE: 3830200 -103.996 -335.034 -55.9985 -222.44 -158.023 -24.5043 -27.3644 -80.3213 -34.6559 PRESSAVG: 3830200 46.5092 -54.9393 11.271 -54.9393 -61.6635 -12.9731 11.2711 -12.9732 3.22627 GPRESSAVG: 3830200 47.672 -55.5313 10.9556 -54.6233 -63.324 -12.0843 9.52275 -13.8229 3.93993 TIMING: 3830200 CPU: 12431.5, 0.00312136/step Wall: 12431.5, 0.00312136/step, 1.01427 hours remaining, 235.585938 MB of memory in use. ENERGY: 3830200 4046.0831 20675.6315 14481.0352 260.2841 -203385.9527 2493.0986 0.0000 0.0000 51999.9728 -109429.8474 298.8446 -161429.8202 -109063.9068 299.8146 -126.7332 -98.8916 759746.4155 -3.9760 -3.9040 PRESSURE: 3830400 -308.954 -181.554 -66.1067 -181.552 -282.603 81.5155 -66.1073 81.5152 -187.04 GPRESSURE: 3830400 -212.877 -162.037 -129.857 -161.781 -327.303 169.898 66.9581 70.6401 -153.268 PRESSAVG: 3830400 70.4114 -24.0369 -42.8761 -24.0369 -78.3852 20.0836 -42.8761 20.0837 -10.2694 GPRESSAVG: 3830400 69.3723 -21.2403 -42.992 -25.2395 -76.5006 22 -41.166 18.4257 -11.3614 TIMING: 3830400 CPU: 12432.2, 0.00313707/step Wall: 12432.2, 0.00313707/step, 1.0192 hours remaining, 235.585938 MB of memory in use. ENERGY: 3830400 4087.8400 20721.4045 14389.0459 263.2851 -203099.2717 2105.3718 0.0000 0.0000 52189.1876 -109343.1367 299.9320 -161532.3244 -108983.1213 300.2839 -259.5321 -231.1492 760645.2251 -6.0811 -6.1632 PRESSURE: 3830600 -105.732 -38.7383 -155.023 -38.7375 63.6127 61.2935 -155.022 61.294 -13.7688 GPRESSURE: 3830600 84.4317 -11.7003 -125.47 16.5008 93.8251 83.3122 -150.555 -26.4849 -138.992 PRESSAVG: 3830600 -2.17219 -11.4652 11.0651 -11.4652 -73.8825 -9.73068 11.065 -9.73078 18.7733 GPRESSAVG: 3830600 -1.25585 -13.1124 10.3827 -11.3028 -73.3912 -12.6116 12.5347 -7.10586 17.6033 TIMING: 3830600 CPU: 12432.8, 0.00312062/step Wall: 12432.8, 0.00312062/step, 1.01368 hours remaining, 235.585938 MB of memory in use. ENERGY: 3830600 4003.9994 20572.1767 14449.3785 242.3093 -203647.8838 2539.1328 0.0000 0.0000 52465.0651 -109375.8220 301.5174 -161840.8870 -108990.4171 299.8559 -18.6293 13.0884 759967.4530 -19.0938 -19.0146 PRESSURE: 3830800 -115.258 111.245 43.4625 111.244 -161.795 17.8149 43.4631 17.8152 -59.1628 GPRESSURE: 3830800 4.49769 42.0501 59.6219 74.8775 -127.36 61.1789 74.1777 -42.0432 -125.372 PRESSAVG: 3830800 25.727 26.186 -11.4546 26.186 -18.1696 -45.2507 -11.4545 -45.2506 22.4893 GPRESSAVG: 3830800 26.8384 26.6032 -10.1466 26.8064 -19.6546 -46.6559 -13.2568 -46.367 23.4851 TIMING: 3830800 CPU: 12433.4, 0.00310795/step Wall: 12433.4, 0.00310795/step, 1.00939 hours remaining, 235.585938 MB of memory in use. ENERGY: 3830800 4085.8911 20554.3713 14475.5802 263.0842 -203306.5269 2539.2249 0.0000 0.0000 52251.8457 -109136.5295 300.2921 -161388.3752 -108766.5448 300.0510 -112.0720 -82.7448 761447.6596 10.0156 10.2230 PRESSURE: 3831000 -117.183 -72.2558 163.845 -72.2554 -340.205 -274.104 163.845 -274.104 -347.28 GPRESSURE: 3831000 -123.25 -36.7857 12.7697 47.6713 -237.362 -281.522 140.391 -194.09 -362.655 PRESSAVG: 3831000 70.6415 -26.7179 18.8388 -26.7179 -57.2576 -46.7588 18.8388 -46.7588 -10.6045 GPRESSAVG: 3831000 68.3892 -25.9559 19.1371 -27.8839 -56.6444 -46.4731 18.3282 -47.285 -9.08583 TIMING: 3831000 CPU: 12434, 0.00312765/step Wall: 12434, 0.00312765/step, 1.01562 hours remaining, 235.585938 MB of memory in use. ENERGY: 3831000 3975.2092 20631.1783 14430.9250 257.1840 -203288.8996 2475.9727 0.0000 0.0000 52130.5388 -109387.8915 299.5949 -161518.4303 -109024.2391 299.9492 -268.2226 -241.0892 762740.8308 0.9265 0.8863 PRESSURE: 3831200 67.8334 -30.1191 -87.284 -30.1198 -328.171 41.702 -87.2842 41.7018 284.992 GPRESSURE: 3831200 129.838 22.2279 -130.454 56.6826 -240.292 13.4545 -154.053 44.0196 231.547 PRESSAVG: 3831200 15.346 -20.6628 0.28473 -20.6627 5.46166 -52.9855 0.284687 -52.9856 -2.74822 GPRESSAVG: 3831200 17.2265 -22.0006 -0.819269 -18.0084 5.20368 -54.174 -0.206268 -49.0519 -5.02539 TIMING: 3831200 CPU: 12434.6, 0.00310452/step Wall: 12434.6, 0.00310452/step, 1.00793 hours remaining, 235.585938 MB of memory in use. ENERGY: 3831200 3986.7382 20551.7178 14382.6953 249.6999 -203352.5882 2727.6069 0.0000 0.0000 51944.3700 -109509.7602 298.5250 -161454.1301 -109142.8261 299.2105 8.2180 40.3643 761780.1623 6.0198 5.8016 PRESSURE: 3831400 -289.395 105.042 -35.668 105.042 257.042 405.476 -35.6676 405.478 -205.817 GPRESSURE: 3831400 -185.239 77.8555 -52.1084 7.98839 216.506 281.154 -8.63391 457.22 -192.511 PRESSAVG: 3831400 66.539 -1.15088 -39.6355 -1.15094 -45.5315 40.7454 -39.6355 40.7454 -15.9569 GPRESSAVG: 3831400 66.2731 -2.01133 -39.0217 -2.82367 -45.7776 42.0101 -38.0483 39.3656 -15.6776 TIMING: 3831400 CPU: 12435.3, 0.00313465/step Wall: 12435.3, 0.00313465/step, 1.01754 hours remaining, 235.585938 MB of memory in use. ENERGY: 3831400 4029.8004 20423.2285 14428.6385 245.4392 -203179.6039 2449.5999 0.0000 0.0000 51912.2871 -109690.6103 298.3406 -161602.8974 -109327.9688 299.0233 -79.3899 -53.7478 761323.3104 1.6835 1.6060 PRESSURE: 3831600 -1.07546 -14.1939 135.886 -14.1932 -119.393 56.1849 135.886 56.1863 404.786 GPRESSURE: 3831600 101.3 21.4867 172.749 -87.252 -93.3185 29.7978 -13.1892 164.486 360.903 PRESSAVG: 3831600 30.325 6.68116 19.435 6.68122 -72.0454 -16.0042 19.435 -16.0041 -25.6751 GPRESSAVG: 3831600 28.8346 7.80137 18.6205 3.96142 -70.2833 -12.87 18.8548 -18.7473 -26.2189 TIMING: 3831600 CPU: 12435.9, 0.00312854/step Wall: 12435.9, 0.00312854/step, 1.01539 hours remaining, 235.585938 MB of memory in use. ENERGY: 3831600 4083.0558 20605.9842 14408.9196 242.5071 -203134.2223 2289.0569 0.0000 0.0000 51769.8435 -109734.8551 297.5220 -161504.6986 -109377.8137 298.3722 94.7725 122.9616 762325.3340 -22.4652 -22.5559 PRESSURE: 3831800 79.7676 -225.864 -20.9331 -225.865 -14.9497 -231.313 -20.9321 -231.314 -184.021 GPRESSURE: 3831800 138.135 -255.739 89.1144 -172.417 3.99025 -252.241 -101.801 -245.612 -173.23 PRESSAVG: 3831800 81.1957 -51.2025 2.34431 -51.2025 -38.7176 17.5349 2.34433 17.5349 -4.47687 GPRESSAVG: 3831800 81.9769 -53.3754 4.39008 -47.5198 -40.4962 15.8377 2.23782 20.8972 -3.39106 TIMING: 3831800 CPU: 12436.5, 0.00311551/step Wall: 12436.5, 0.00311551/step, 1.01098 hours remaining, 235.585938 MB of memory in use. ENERGY: 3831800 3975.9432 20470.0250 14513.3227 260.4476 -203591.5277 2724.0504 0.0000 0.0000 51830.1282 -109817.6105 297.8685 -161647.7387 -109459.3256 298.2857 -39.7345 -10.3680 761954.6854 12.6671 12.6966 PRESSURE: 3832000 298.747 -13.0595 82.3691 -13.059 -206.775 -70.1191 82.3689 -70.1182 -120.111 GPRESSURE: 3832000 374.03 -45.1312 138.671 53.2576 -158.855 -70.2802 135.504 -136.335 -170.013 PRESSAVG: 3832000 100.71 -102.981 -15.1738 -102.981 -102.911 -6.70997 -15.1737 -6.71002 3.0047 GPRESSAVG: 3832000 99.6253 -100.331 -15.8608 -103.845 -102.572 -6.5499 -15.5787 -8.96327 3.15794 TIMING: 3832000 CPU: 12437.1, 0.00311028/step Wall: 12437.1, 0.00311028/step, 1.00911 hours remaining, 235.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3832000 3884.0603 20426.8567 14420.0454 231.8235 -203377.2656 2564.9143 0.0000 0.0000 51888.7818 -109960.7837 298.2055 -161849.5655 -109581.8972 298.2735 -9.3799 15.0540 762152.1261 0.2680 0.0705 PRESSURE: 3832200 290.756 -141.052 -115.708 -141.053 17.6493 109.32 -115.709 109.32 -11.5764 GPRESSURE: 3832200 214.653 -132.888 -43.0436 -128.167 100.882 141.813 -88.967 157.03 78.4708 PRESSAVG: 3832200 108.714 -9.55212 -35.2449 -9.55213 -93.7697 10.2371 -35.245 10.2372 2.5709 GPRESSAVG: 3832200 108.702 -9.92891 -35.9059 -10.5128 -93.7985 9.92135 -34.2402 12.2745 2.60557 TIMING: 3832200 CPU: 12437.8, 0.00311277/step Wall: 12437.8, 0.00311277/step, 1.00975 hours remaining, 235.585938 MB of memory in use. ENERGY: 3832200 3957.0307 20438.5159 14418.4707 236.5292 -203829.0309 2886.6277 0.0000 0.0000 52101.3035 -109790.5532 299.4269 -161891.8567 -109427.9627 298.6158 98.9431 131.3351 759572.9713 5.8383 5.8363 LDB: ============= START OF LOAD BALANCING ============== 12450.2 LDB: ============== END OF LOAD BALANCING =============== 12450.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12450.2 LDB: ============= START OF LOAD BALANCING ============== 12450.5 LDB: Largest compute 7035 load 0.030918 is 15.8% of average load 0.195512 LDB: Average compute 0.004398 is 2.2% of average load 0.195512 LDB: TIME 12450.5 LOAD: AVG 0.195512 MAX 0.218491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.609 MB LDB: TIME 12450.5 LOAD: AVG 0.195512 MAX 0.218491 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: TIME 12450.5 LOAD: AVG 0.195512 MAX 0.217755 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: ============== END OF LOAD BALANCING =============== 12450.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12450.5 PRESSURE: 3832400 397.088 129.272 -144.203 129.272 -122.908 277.864 -144.204 277.863 -89.3738 GPRESSURE: 3832400 424.694 42.3152 -185.778 65.3954 -110.163 268.151 -224.839 234.739 -45.2982 PRESSAVG: 3832400 56.6447 -79.6923 -36.2811 -79.6922 -34.3412 15.2615 -36.281 15.2615 -9.40921 GPRESSAVG: 3832400 57.113 -78.776 -36.2267 -79.1158 -34.6882 17.7118 -37.5378 13.1249 -9.66433 TIMING: 3832400 CPU: 12438.4, 0.0031804/step Wall: 12438.4, 0.0031804/step, 1.03151 hours remaining, 234.339844 MB of memory in use. ENERGY: 3832400 3945.1365 20436.3598 14438.4762 259.9482 -203228.3856 2393.0804 0.0000 0.0000 51915.1223 -109840.2624 298.3569 -161755.3847 -109489.5109 298.4717 61.6023 89.7440 761418.0827 4.2981 4.2535 PRESSURE: 3832600 210.798 -120.901 -229.051 -120.902 210.978 -249.786 -229.051 -249.786 232.021 GPRESSURE: 3832600 278.027 -94.5838 -164.999 -117.925 174.846 -191.226 -242.311 -292.091 291.459 PRESSAVG: 3832600 87.3745 -65.8649 -19.467 -65.8649 -69.0917 -5.05845 -19.467 -5.05844 4.39168 GPRESSAVG: 3832600 87.9215 -67.2546 -19.3541 -66.3654 -69.0917 -7.42568 -19.4885 -3.11045 3.76968 TIMING: 3832600 CPU: 12439, 0.00311703/step Wall: 12439, 0.00311703/step, 1.01078 hours remaining, 234.535156 MB of memory in use. ENERGY: 3832600 3936.6878 20501.6386 14450.8299 256.0336 -203521.2553 2618.9128 0.0000 0.0000 51749.0195 -110008.1331 297.4023 -161757.1526 -109653.3592 298.4062 217.9324 248.1105 758685.2209 7.5582 7.5332 PRESSURE: 3832800 -444.97 97.5084 90.6069 97.508 -364.93 40.8623 90.6066 40.8631 -415.275 GPRESSURE: 3832800 -328.439 -85.9699 66.5558 13.3027 -302.71 -39.0257 70.0601 8.15321 -478.437 PRESSAVG: 3832800 82.2159 -28.2746 11.8582 -28.2746 -101.89 -4.37184 11.8582 -4.3718 6.50686 GPRESSAVG: 3832800 82.4581 -29.1429 12.6684 -26.7932 -101.114 -3.52257 13.0976 -5.12418 5.47745 TIMING: 3832800 CPU: 12439.6, 0.00311805/step Wall: 12439.6, 0.00311805/step, 1.01094 hours remaining, 234.535156 MB of memory in use. ENERGY: 3832800 3961.5048 20471.6981 14445.4870 259.5422 -203262.7404 2189.3330 0.0000 0.0000 52032.3761 -109902.7993 299.0308 -161935.1754 -109541.1103 298.3528 -408.3915 -369.8620 759985.0435 -4.3890 -4.3927 PRESSURE: 3833000 -57.236 120.841 117.266 120.841 84.1658 73.2485 117.267 73.2484 -115.568 GPRESSURE: 3833000 -68.0922 221.509 134.945 57.2484 190.208 18.6314 122.788 -26.7539 -132.233 PRESSAVG: 3833000 22.5812 -4.3571 31.9144 -4.35711 -40.1449 8.64934 31.9144 8.64923 20.2618 GPRESSAVG: 3833000 21.1254 -4.81135 30.9128 -5.24185 -40.2657 7.01144 32.0936 8.9614 21.1191 TIMING: 3833000 CPU: 12440.3, 0.00312362/step Wall: 12440.3, 0.00312362/step, 1.01257 hours remaining, 234.535156 MB of memory in use. ENERGY: 3833000 4007.9180 20507.5442 14477.8373 241.9894 -203563.5584 2562.6096 0.0000 0.0000 52030.4221 -109735.2377 299.0196 -161765.6598 -109363.7205 299.0262 -29.5462 -3.3725 759546.3945 0.8994 0.6596 PRESSURE: 3833200 -16.4736 32.1002 57.5745 32.1005 107.872 20.5981 57.5737 20.5984 374.464 GPRESSURE: 3833200 76.6997 -37.3526 90.9622 -54.1487 114.932 45.2757 -28.9805 7.39191 351.635 PRESSAVG: 3833200 50.5524 -22.9347 0.457982 -22.9347 -19.8052 -25.5111 0.457966 -25.5112 2.93305 GPRESSAVG: 3833200 50.0049 -23.52 1.11058 -21.7412 -19.4364 -23.5672 -1.07604 -23.9793 2.74469 TIMING: 3833200 CPU: 12440.9, 0.0031492/step Wall: 12440.9, 0.0031492/step, 1.02069 hours remaining, 234.738281 MB of memory in use. ENERGY: 3833200 3985.2183 20317.5586 14405.9678 251.3677 -203404.6233 2554.3577 0.0000 0.0000 52039.2057 -109850.9473 299.0700 -161890.1530 -109490.0795 298.9536 155.2876 181.0889 759308.0352 11.2268 11.1044 PRESSURE: 3833400 103.283 -161.779 -6.74968 -161.779 131.977 -114.146 -6.75047 -114.145 12.6437 GPRESSURE: 3833400 194.43 -288.818 -88.7285 -90.1555 161.175 -83.2299 -26.5636 -98.543 -16.5571 PRESSAVG: 3833400 56.7656 -36.7005 7.69756 -36.7005 -74.5581 -24.7023 7.69756 -24.7023 13.6931 GPRESSAVG: 3833400 57.0434 -37.0307 5.77203 -35.1643 -74.5559 -25.1163 8.20679 -26.1003 13.0524 TIMING: 3833400 CPU: 12441.5, 0.00313275/step Wall: 12441.5, 0.00313275/step, 1.01519 hours remaining, 234.738281 MB of memory in use. ENERGY: 3833400 4011.5318 20315.0530 14489.1305 239.9733 -203764.1163 2675.0449 0.0000 0.0000 52087.6130 -109945.7698 299.3482 -162033.3828 -109583.7838 298.4775 82.6346 113.0160 758698.0567 -1.3665 -1.4867 PRESSURE: 3833600 539.655 -129.807 64.317 -129.807 -56.7169 26.0224 64.3172 26.0232 31.1683 GPRESSURE: 3833600 526.129 -120.123 38.7176 -46.346 35.3665 79.041 180.928 -34.436 47.784 PRESSAVG: 3833600 78.928 27.6112 -42.3547 27.6112 -33.3864 -25.0528 -42.3547 -25.0527 10.6788 GPRESSAVG: 3833600 77.9346 30.1993 -41.533 24.8884 -33.0927 -24.3341 -41.744 -25.2359 10.8158 TIMING: 3833600 CPU: 12442.2, 0.00313781/step Wall: 12442.2, 0.00313781/step, 1.01665 hours remaining, 234.738281 MB of memory in use. ENERGY: 3833600 3941.7987 20618.0291 14514.6284 254.4393 -203633.3419 2650.8564 0.0000 0.0000 51681.7195 -109971.8704 297.0156 -161653.5900 -109619.0808 298.2419 171.3688 203.0932 761041.1725 18.7401 18.5525 PRESSURE: 3833800 526.494 -236.727 -181.756 -236.727 -11.0459 226.793 -181.757 226.793 2.06627 GPRESSURE: 3833800 509.791 -238.58 -180.229 -307.59 96.3501 226.957 -129.133 192.556 30.7892 PRESSAVG: 3833800 43.3674 -26.7852 -15.9324 -26.7852 -65.3341 -19.4762 -15.9325 -19.4761 6.64139 GPRESSAVG: 3833800 42.331 -27.0389 -14.3493 -25.6586 -65.3205 -19.9133 -16.0938 -19.6918 7.8367 TIMING: 3833800 CPU: 12442.8, 0.00311968/step Wall: 12442.8, 0.00311968/step, 1.0106 hours remaining, 234.738281 MB of memory in use. ENERGY: 3833800 3997.5002 20460.8870 14513.1146 257.6553 -203948.9715 2927.4093 0.0000 0.0000 51970.9262 -109821.4789 298.6776 -161792.4051 -109461.0927 298.1885 172.5047 212.3102 759358.8262 -5.1085 -5.0510 PRESSURE: 3834000 35.531 -64.0693 -78.6799 -64.0693 12.7955 37.705 -78.68 37.7063 -184.073 GPRESSURE: 3834000 -0.25717 -85.279 -151.091 -92.6098 65.105 75.3039 13.5279 47.6022 -89.9765 PRESSAVG: 3834000 -21.0351 -45.0191 -86.5875 -45.0191 16.8294 -54.552 -86.5876 -54.5521 -0.751768 GPRESSAVG: 3834000 -19.6741 -44.6437 -86.9956 -45.486 15.4818 -54.661 -86.5981 -56.2463 -0.794126 TIMING: 3834000 CPU: 12443.4, 0.00312496/step Wall: 12443.4, 0.00312496/step, 1.01214 hours remaining, 234.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3834000 3972.4044 20383.9229 14517.6682 234.4192 -203179.7814 2311.1541 0.0000 0.0000 51859.9606 -109900.2518 298.0399 -161760.2125 -109536.3651 298.4955 -45.2490 -8.3762 760765.9740 -1.6525 -1.6622 PRESSURE: 3834200 -610.39 -8.39617 102.988 -8.39622 -146.288 -185.409 102.989 -185.41 -428.236 GPRESSURE: 3834200 -581.621 -48.0709 56.5078 -13.1714 -85.3923 -250.516 182.18 -187.409 -436.499 PRESSAVG: 3834200 23.1435 0.830742 5.30472 0.830794 2.23069 4.54986 5.30474 4.54992 -7.14096 GPRESSAVG: 3834200 22.5703 0.0438088 4.88624 0.459429 3.29587 2.8499 6.36254 7.2625 -7.75877 TIMING: 3834200 CPU: 12444, 0.00313043/step Wall: 12444, 0.00313043/step, 1.01374 hours remaining, 234.738281 MB of memory in use. ENERGY: 3834200 3960.6758 20553.0906 14430.6106 245.7699 -203270.7526 2256.5108 0.0000 0.0000 51802.2409 -110021.8541 297.7082 -161824.0950 -109663.0711 298.6425 -394.9714 -367.8376 760524.9527 6.0778 6.0358 PRESSURE: 3834400 120.041 -147.652 178.715 -147.652 93.0671 93.5096 178.716 93.5098 445.142 GPRESSURE: 3834400 53.4679 -129.302 193.288 -101.046 163.909 -14.6341 149.857 192.808 515.14 PRESSAVG: 3834400 -9.69665 -60.4032 18.5102 -60.4032 25.1899 13.2393 18.5101 13.2393 -13.1398 GPRESSAVG: 3834400 -10.3021 -60.9173 18.4386 -61.1328 25.6537 14.7281 18.2537 13.7751 -13.0225 TIMING: 3834400 CPU: 12444.7, 0.00311697/step Wall: 12444.7, 0.00311697/step, 1.00921 hours remaining, 234.738281 MB of memory in use. ENERGY: 3834400 3960.7729 20546.9157 14443.0978 246.5715 -203913.4167 2716.0276 0.0000 0.0000 52034.2964 -109965.7348 299.0418 -162000.0312 -109603.5240 298.5293 219.4168 244.1724 759348.5736 0.7845 0.7764 PRESSURE: 3834600 -14.3913 40.4294 -93.5482 40.4288 -114.79 240.871 -93.548 240.871 214.669 GPRESSURE: 3834600 14.1526 56.177 -93.869 59.5523 -51.5185 244.732 -84.3326 200.554 217.121 PRESSAVG: 3834600 -2.54927 -59.4417 -43.7525 -59.4417 -27.6669 41.1766 -43.7525 41.1767 12.7717 GPRESSAVG: 3834600 -1.24816 -58.1128 -44.3135 -58.0533 -28.2137 41.3723 -44.3953 40.7834 12.3588 TIMING: 3834600 CPU: 12445.3, 0.00312905/step Wall: 12445.3, 0.00312905/step, 1.01294 hours remaining, 234.738281 MB of memory in use. ENERGY: 3834600 3956.7849 20429.3619 14437.9367 247.1079 -203710.8905 2670.4030 0.0000 0.0000 51889.0067 -110080.2894 298.2068 -161969.2961 -109719.8106 297.9785 28.4960 59.9184 760084.8723 -5.8148 -5.7010 PRESSURE: 3834800 -79.1339 -166.571 -45.6405 -166.571 55.9167 58.629 -45.6406 58.6288 -87.4602 GPRESSURE: 3834800 0.541242 -287.573 -10.1039 -70.075 57.9592 157.037 -16.6901 -41.4981 -68.9913 PRESSAVG: 3834800 14.7983 -48.274 -36.8785 -48.274 -10.1612 64.9838 -36.8785 64.9838 9.71225 GPRESSAVG: 3834800 15.2422 -48.4355 -35.5131 -47.9561 -10.0763 65.0802 -34.6022 62.5067 10.1933 TIMING: 3834800 CPU: 12445.9, 0.00311415/step Wall: 12445.9, 0.00311415/step, 1.00795 hours remaining, 234.738281 MB of memory in use. ENERGY: 3834800 3937.7377 20547.5345 14452.3162 236.8499 -204005.4762 2630.2075 0.0000 0.0000 52201.3738 -109999.4565 300.0020 -162200.8303 -109627.7672 298.2520 -36.8925 -3.4969 758445.4369 4.7831 5.1197 PRESSURE: 3835000 -165.472 -75.5668 31.3987 -75.5664 -318.404 77.1536 31.3984 77.1541 122.737 GPRESSURE: 3835000 -162.665 -89.4181 2.34841 -109.243 -229.265 17.6177 -43.2853 65.9836 130.939 PRESSAVG: 3835000 -0.383752 -42.9788 -36.1987 -42.9788 -25.0917 -8.82087 -36.1987 -8.82084 -0.819383 GPRESSAVG: 3835000 -0.961908 -44.8973 -35.882 -41.951 -24.7244 -9.655 -37.8476 -8.95829 -0.825241 TIMING: 3835000 CPU: 12446.5, 0.00311749/step Wall: 12446.5, 0.00311749/step, 1.00886 hours remaining, 234.738281 MB of memory in use. ENERGY: 3835000 3994.1130 20428.4541 14443.2122 252.5866 -203394.2113 2488.6180 0.0000 0.0000 51858.0287 -109929.1987 298.0288 -161787.2274 -109562.6177 298.6518 -120.3796 -86.9970 761226.4318 -8.7650 -8.8372 PRESSURE: 3835200 -336.696 -30.7155 25.1878 -30.7151 -158.793 169.02 25.1871 169.019 44.3293 GPRESSURE: 3835200 -267.906 -29.5142 -23.7792 -150.883 -121.511 85.6693 34.8893 140.735 44.4886 PRESSAVG: 3835200 22.7664 -27.9504 -2.46267 -27.9503 -39.8486 -7.85269 -2.46264 -7.85267 -3.33718 GPRESSAVG: 3835200 23.1107 -27.9546 -3.67033 -29.5214 -40.4381 -6.15772 -0.888297 -6.60364 -2.87437 TIMING: 3835200 CPU: 12447.2, 0.00311904/step Wall: 12447.2, 0.00311904/step, 1.00918 hours remaining, 234.738281 MB of memory in use. ENERGY: 3835200 4003.7349 20385.0175 14339.2159 238.7142 -203156.7041 2384.5305 0.0000 0.0000 52012.9994 -109792.4917 298.9194 -161805.4911 -109422.8335 298.8757 -150.3864 -114.9762 760199.6399 -6.8065 -6.7339 PRESSURE: 3835400 23.5401 -120.556 -109.176 -120.557 -125.736 -59.6722 -109.176 -59.671 -86.7481 GPRESSURE: 3835400 25.5505 -167.708 -133.893 -174.633 -47.7473 -93.6193 -72.2632 29.326 -79.2129 PRESSAVG: 3835400 9.87325 -67.1484 4.66935 -67.1484 -19.4708 25.948 4.66937 25.948 -13.774 GPRESSAVG: 3835400 10.0119 -67.4449 5.24362 -66.0512 -19.339 26.8475 4.67502 25.7096 -13.8976 TIMING: 3835400 CPU: 12447.8, 0.00310274/step Wall: 12447.8, 0.00310274/step, 1.00373 hours remaining, 234.738281 MB of memory in use. ENERGY: 3835400 3993.1226 20545.9090 14360.5437 254.4882 -203452.9466 2654.9892 0.0000 0.0000 51843.9248 -109799.9692 297.9477 -161643.8940 -109445.3041 298.8408 -62.9813 -33.8032 760133.0446 -7.7905 -7.7416 PRESSURE: 3835600 388.72 91.0183 -79.5272 91.0174 -142.787 79.1196 -79.5264 79.1197 -114.576 GPRESSURE: 3835600 298.728 20.2624 -82.2682 163.067 -20.3788 31.4941 94.2537 -59.0443 -48.8463 PRESSAVG: 3835600 43.1953 -37.4785 -28.639 -37.4785 -47.305 34.6298 -28.639 34.6298 2.92872 GPRESSAVG: 3835600 42.8234 -35.8797 -28.0381 -37.4068 -47.1361 34.1263 -27.4466 33.9853 2.92879 TIMING: 3835600 CPU: 12448.4, 0.00311408/step Wall: 12448.4, 0.00311408/step, 1.00723 hours remaining, 234.738281 MB of memory in use. ENERGY: 3835600 3920.4594 20635.6089 14440.9597 249.1257 -203515.2069 2558.1506 0.0000 0.0000 51927.4817 -109783.4210 298.4280 -161710.9027 -109412.7374 299.0884 43.7855 76.5011 760383.6050 -0.3937 -0.4613 PRESSURE: 3835800 73.1034 43.3306 -250.1 43.3317 -40.1505 -81.3451 -250.1 -81.3456 266.238 GPRESSURE: 3835800 104.488 129.338 -306.526 144.63 -43.9032 -46.7529 -192.813 -129.674 318.316 PRESSAVG: 3835800 4.39194 -83.8399 15.2902 -83.84 -70.8929 67.3214 15.2902 67.3214 -1.29006 GPRESSAVG: 3835800 2.20746 -83.1485 15.056 -83.9795 -69.7006 67.1886 14.5988 67.5635 -0.167015 TIMING: 3835800 CPU: 12449, 0.00312369/step Wall: 12449, 0.00312369/step, 1.01017 hours remaining, 234.738281 MB of memory in use. ENERGY: 3835800 3982.1693 20406.4499 14413.9838 247.0140 -202952.2218 2238.1207 0.0000 0.0000 51918.8794 -109745.6048 298.3785 -161664.4842 -109377.2155 298.6853 99.7304 126.3002 761275.2666 -22.5970 -22.5534 PRESSURE: 3836000 108.21 -4.3998 188.685 -4.4002 -58.1381 352.458 188.686 352.457 234.016 GPRESSURE: 3836000 198.363 -127.153 54.3416 -3.65873 -143.807 260.213 254.981 357.839 311.8 PRESSAVG: 3836000 -34.6601 -78.6342 -28.9082 -78.6342 31.661 65.1524 -28.9082 65.1524 41.3486 GPRESSAVG: 3836000 -31.8874 -78.1794 -30.0334 -80.4896 29.9433 67.4269 -29.9609 64.0961 40.6946 TIMING: 3836000 CPU: 12449.6, 0.00313624/step Wall: 12449.6, 0.00313624/step, 1.01405 hours remaining, 234.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3836000 3927.8590 20576.4251 14418.1896 236.9647 -203293.3166 2605.4479 0.0000 0.0000 52117.9199 -109410.5103 299.5224 -161528.4302 -109045.4465 299.3204 94.6960 122.1187 762039.0396 12.7832 12.9168 PRESSURE: 3836200 -29.6208 -7.8735 -51.1506 -7.87364 88.2363 75.4217 -51.1501 75.4227 55.1084 GPRESSURE: 3836200 -87.2008 17.4405 -76.8302 32.1558 115.61 127.287 -74.4697 172.915 177.269 PRESSAVG: 3836200 36.9182 -57.0494 -44.1258 -57.0495 -27.7648 54.081 -44.1258 54.081 14.7304 GPRESSAVG: 3836200 36.3998 -56.7451 -43.3587 -56.5536 -27.4621 52.1563 -42.9736 55.3453 14.8385 TIMING: 3836200 CPU: 12450.3, 0.00311801/step Wall: 12450.3, 0.00311801/step, 1.00798 hours remaining, 234.738281 MB of memory in use. ENERGY: 3836200 3992.7390 20499.1421 14376.0711 247.3845 -203345.6521 2577.6583 0.0000 0.0000 52144.3915 -109508.2656 299.6745 -161652.6570 -109157.9816 299.6403 37.9080 68.5596 761797.0203 7.9612 7.9254 LDB: ============= START OF LOAD BALANCING ============== 12462.7 LDB: ============== END OF LOAD BALANCING =============== 12462.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12462.7 LDB: ============= START OF LOAD BALANCING ============== 12463 LDB: Largest compute 7033 load 0.031822 is 16.3% of average load 0.195602 LDB: Average compute 0.004387 is 2.2% of average load 0.195602 LDB: TIME 12463 LOAD: AVG 0.195602 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 12463 LOAD: AVG 0.195602 MAX 0.215459 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.773 MB LDB: TIME 12463 LOAD: AVG 0.195602 MAX 0.215459 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.773 MB LDB: ============== END OF LOAD BALANCING =============== 12463 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12463 PRESSURE: 3836400 101.936 -67.6393 108.375 -67.6387 136.939 13.2244 108.375 13.2236 313.96 GPRESSURE: 3836400 151.983 -93.2441 135.942 -20.1992 180.47 13.6009 141.661 -67.107 276.227 PRESSAVG: 3836400 -26.7202 -50.7342 -33.1165 -50.7342 -41.4133 -23.5932 -33.1165 -23.5931 -4.6604 GPRESSAVG: 3836400 -27.4433 -51.9672 -33.9104 -48.6456 -39.9073 -23.4447 -33.9156 -24.8811 -5.34756 TIMING: 3836400 CPU: 12450.9, 0.00320021/step Wall: 12450.9, 0.00320021/step, 1.03438 hours remaining, 234.082031 MB of memory in use. ENERGY: 3836400 3945.8013 20534.5816 14407.7484 253.9544 -203243.6550 2427.9180 0.0000 0.0000 51916.4010 -109757.2502 298.3643 -161673.6512 -109403.1590 299.0274 184.2781 202.8931 760327.1911 -24.2647 -24.2327 PRESSURE: 3836600 -37.7743 -28.2822 -4.58903 -28.283 -4.94055 -4.65744 -4.58932 -4.65783 -238.883 GPRESSURE: 3836600 11.3587 -69.3597 -107.876 33.798 65.9234 77.6709 9.50337 96.4611 -277.958 PRESSAVG: 3836600 19.0693 -56.6846 -13.7723 -56.6846 8.1539 0.253575 -13.7723 0.253657 -32.9581 GPRESSAVG: 3836600 19.0028 -56.7928 -12.7225 -55.1131 8.36331 0.749906 -13.4602 -0.41404 -32.7559 TIMING: 3836600 CPU: 12451.5, 0.00312603/step Wall: 12451.5, 0.00312603/step, 1.01023 hours remaining, 234.355469 MB of memory in use. ENERGY: 3836600 4032.2586 20431.8223 14436.5061 234.7994 -203287.9483 2439.3767 0.0000 0.0000 52022.6328 -109690.5524 298.9748 -161713.1852 -109324.8009 298.8222 -93.8661 -66.8919 760263.3608 -1.9116 -1.7966 PRESSURE: 3836800 97.6942 89.1556 49.067 89.1559 -26.0116 41.667 49.067 41.6666 -372.184 GPRESSURE: 3836800 167.397 15.4844 49.0637 181.278 11.2005 -2.38664 51.9733 183.179 -391.854 PRESSAVG: 3836800 35.113 -19.7797 -2.91028 -19.7797 -43.9749 22.7257 -2.9103 22.7257 -6.30401 GPRESSAVG: 3836800 35.0426 -17.8753 -2.72891 -23.5259 -43.9544 21.3575 -2.45297 24.937 -6.18347 TIMING: 3836800 CPU: 12452.2, 0.00313146/step Wall: 12452.2, 0.00313146/step, 1.01181 hours remaining, 234.355469 MB of memory in use. ENERGY: 3836800 3915.6601 20286.5978 14421.0753 239.1802 -203218.5413 2461.5772 0.0000 0.0000 52065.0253 -109829.4255 299.2184 -161894.4507 -109463.9780 299.0283 -100.1670 -71.0855 759320.8380 -5.0553 -5.0318 PRESSURE: 3837000 134.608 -60.3678 -43.4383 -60.3677 31.6787 88.1958 -43.4382 88.1964 -84.4233 GPRESSURE: 3837000 88.59 -23.473 -49.265 -19.2018 92.1132 64.7122 4.79426 98.1407 -8.64072 PRESSAVG: 3837000 27.5196 -17.4616 4.93157 -17.4616 -12.3081 -12.7934 4.93157 -12.7932 -17.885 GPRESSAVG: 3837000 28.4157 -18.7595 4.24791 -15.6749 -13.1218 -12.5223 5.04124 -13.9086 -17.5026 TIMING: 3837000 CPU: 12452.8, 0.00310707/step Wall: 12452.8, 0.00310707/step, 1.00376 hours remaining, 234.355469 MB of memory in use. ENERGY: 3837000 3942.4866 20380.2009 14433.4445 251.6105 -203169.3817 2204.6337 0.0000 0.0000 52111.4583 -109845.5471 299.4853 -161957.0054 -109471.7924 298.5225 27.2877 57.3542 757734.7331 -0.8912 -0.7362 PRESSURE: 3837200 -50.0191 156.972 129.965 156.972 18.0258 10.139 129.966 10.1402 -166.25 GPRESSURE: 3837200 -45.0962 -57.9462 220.163 227.444 74.0354 189.84 52.5453 -150.732 -145.234 PRESSAVG: 3837200 -6.002 -16.1347 14.1869 -16.1347 8.00284 26.2769 14.1869 26.277 -7.41239 GPRESSAVG: 3837200 -5.01968 -16.671 16.5499 -16.8626 7.17322 28.381 13.9919 24.786 -7.50716 TIMING: 3837200 CPU: 12453.4, 0.00313732/step Wall: 12453.4, 0.00313732/step, 1.01335 hours remaining, 234.425781 MB of memory in use. ENERGY: 3837200 4033.7548 20469.8080 14390.7613 231.6738 -203270.1205 2293.8903 0.0000 0.0000 51899.2085 -109951.0239 298.2655 -161850.2324 -109592.3813 298.4905 -66.0812 -38.7649 758496.4970 -1.8039 -1.7845 PRESSURE: 3837400 -181.797 15.6831 95.525 15.6828 -84.5382 -151.448 95.5249 -151.448 223.422 GPRESSURE: 3837400 -131.83 30.9096 129.486 112.348 -1.31467 -136.783 66.931 -127.636 177.581 PRESSAVG: 3837400 -14.9467 -3.77039 49.9137 -3.77037 40.1774 27.7769 49.9137 27.7769 -17.7289 GPRESSAVG: 3837400 -16.2222 -3.09263 48.0475 -3.09342 41.8228 26.9235 49.3439 31.7121 -18.3008 TIMING: 3837400 CPU: 12454, 0.00311797/step Wall: 12454, 0.00311797/step, 1.00693 hours remaining, 234.425781 MB of memory in use. ENERGY: 3837400 3909.7564 20359.4143 14366.3506 244.9153 -203028.8130 2070.8456 0.0000 0.0000 52237.0308 -109840.4999 300.2069 -162077.5307 -109477.9637 299.1143 -14.3045 14.8121 758626.5548 2.5006 2.4333 PRESSURE: 3837600 -173.495 -83.3553 -112.207 -83.3561 -415.366 32.9595 -112.208 32.96 -43.7011 GPRESSURE: 3837600 -138.25 -36.4634 -63.1911 -48.6919 -360.663 10.2295 -45.1945 1.69876 -58.9865 PRESSAVG: 3837600 63.8515 -4.40601 -21.0357 -4.40599 -57.9872 28.1261 -21.0357 28.1261 11.8869 GPRESSAVG: 3837600 65.3602 -4.7411 -22.6292 -4.728 -59.9367 28.1581 -18.8362 26.3202 12.8493 TIMING: 3837600 CPU: 12454.7, 0.00314075/step Wall: 12454.7, 0.00314075/step, 1.01411 hours remaining, 234.425781 MB of memory in use. ENERGY: 3837600 4006.1549 20490.6423 14444.4160 245.0077 -202909.1516 2092.5930 0.0000 0.0000 51985.0484 -109645.2893 298.7588 -161630.3377 -109278.5829 299.0460 -210.8542 -185.9665 760965.6570 5.9171 6.0909 PRESSURE: 3837800 -219.106 97.9811 199.567 97.9814 294.725 96.8802 199.566 96.8812 -62.9543 GPRESSURE: 3837800 -172.876 158.388 131.913 73.2357 220.945 69.029 67.2168 236.322 62.3146 PRESSAVG: 3837800 -25.7251 -32.4467 -57.7737 -32.4467 -6.00765 9.15467 -57.7736 9.15465 7.49652 GPRESSAVG: 3837800 -25.5544 -30.9517 -56.2092 -32.704 -6.15206 9.96609 -61.4631 9.16632 7.18963 TIMING: 3837800 CPU: 12455.3, 0.00314121/step Wall: 12455.3, 0.00314121/step, 1.01409 hours remaining, 234.425781 MB of memory in use. ENERGY: 3837800 4024.8619 20294.3357 14445.0328 240.7692 -203224.9966 2497.7618 0.0000 0.0000 51942.9085 -109779.3267 298.5166 -161722.2352 -109423.8744 298.5805 4.2218 36.7945 760065.0938 -8.0787 -8.1723 PRESSURE: 3838000 328.526 -151.069 15.6028 -151.068 67.7877 -88.5912 15.6025 -88.5919 102.516 GPRESSURE: 3838000 419.604 -151.396 68.7321 -176.599 129.925 -178.94 80.3793 -132.882 44.8064 PRESSAVG: 3838000 -37.5013 9.63901 39.5578 9.63903 35.2732 43.9504 39.5578 43.9504 6.80926 GPRESSAVG: 3838000 -38.3153 9.05847 39.7013 9.6382 36.8946 42.9567 39.818 44.0389 6.55697 TIMING: 3838000 CPU: 12455.9, 0.00311707/step Wall: 12455.9, 0.00311707/step, 1.00612 hours remaining, 234.425781 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: 3838000 3897.2004 20448.6492 14461.1281 257.6076 -203133.8875 2387.3520 0.0000 0.0000 52046.5133 -109635.4368 299.1120 -161681.9501 -109267.9671 298.5594 166.2765 198.1119 760427.2736 1.5270 1.7121 PRESSURE: 3838200 431.936 -24.3484 -338.874 -24.349 -264.271 181.004 -338.873 181.004 379.159 GPRESSURE: 3838200 468.054 -6.30676 -347.232 -20.7247 -166.271 131.15 -206.261 314.549 339.314 PRESSAVG: 3838200 27.209 25.6804 50.8856 25.6804 -6.96634 7.86576 50.8855 7.86582 -16.4279 GPRESSAVG: 3838200 26.2486 27.3333 50.9548 25.7926 -5.86309 8.32412 53.0094 7.06276 -16.7283 TIMING: 3838200 CPU: 12456.5, 0.00312269/step Wall: 12456.5, 0.00312269/step, 1.00776 hours remaining, 234.425781 MB of memory in use. ENERGY: 3838200 3966.0441 20457.5179 14396.3335 254.3173 -203493.6023 2672.1594 0.0000 0.0000 52033.9790 -109713.2512 299.0400 -161747.2302 -109355.4478 298.7515 182.2748 213.6990 761073.7977 1.2716 1.2191 PRESSURE: 3838400 -43.6927 -169.346 -124.477 -169.346 84.1113 -202.412 -124.476 -202.412 -418.543 GPRESSURE: 3838400 -70.8928 -153.598 -38.8148 -94.1803 89.1897 -225.498 17.7938 -215.5 -294.338 PRESSAVG: 3838400 -19.6424 -2.25749 -26.0579 -2.25747 -33.3508 12.9533 -26.058 12.9533 3.04778 GPRESSAVG: 3838400 -19.1464 -2.97675 -25.7164 -2.13199 -33.7447 13.2336 -27.5921 14.1268 3.45674 TIMING: 3838400 CPU: 12457.2, 0.00311827/step Wall: 12457.2, 0.00311827/step, 1.00616 hours remaining, 234.425781 MB of memory in use. ENERGY: 3838400 3935.0846 20606.4016 14388.0114 237.3450 -202890.6915 2373.1283 0.0000 0.0000 51826.7862 -109523.9344 297.8493 -161350.7206 -109159.9907 298.7046 -126.0416 -92.0136 761607.1833 -16.6485 -16.4781 PRESSURE: 3838600 -300.953 130.127 -92.157 130.128 285.093 34.2295 -92.157 34.2299 333.106 GPRESSURE: 3838600 -148.452 159.454 -71.7054 89.6949 279.316 13.0501 -137.375 136.609 258.294 PRESSAVG: 3838600 -45.5272 -10.9803 -12.8167 -10.9803 93.4942 5.90165 -12.8168 5.90159 12.4156 GPRESSAVG: 3838600 -46.0646 -10.0946 -13.7583 -14.2447 94.271 7.08445 -11.7036 6.11928 12.6952 TIMING: 3838600 CPU: 12457.8, 0.0031132/step Wall: 12457.8, 0.0031132/step, 1.00435 hours remaining, 234.425781 MB of memory in use. ENERGY: 3838600 3968.8522 20504.4277 14443.5664 233.6755 -203346.8627 2447.8420 0.0000 0.0000 52043.0430 -109705.4560 299.0921 -161748.4989 -109339.8378 298.8382 105.7486 129.7191 761016.9379 20.1275 20.3005 PRESSURE: 3838800 -24.9756 18.4718 245.928 18.4718 -242.958 -128.008 245.928 -128.008 121.114 GPRESSURE: 3838800 131.816 -19.799 257.545 -76.6305 -185.497 -8.75303 190.718 -68.6758 9.08685 PRESSAVG: 3838800 -11.636 -47.7584 17.793 -47.7584 6.70914 8.18746 17.7931 8.18743 -6.07788 GPRESSAVG: 3838800 -10.2437 -49.7593 18.2126 -43.1497 6.0926 7.22285 14.9095 8.90526 -6.92587 TIMING: 3838800 CPU: 12458.4, 0.00310673/step Wall: 12458.4, 0.00310673/step, 1.00209 hours remaining, 234.425781 MB of memory in use. ENERGY: 3838800 4012.8240 20521.7078 14418.6863 227.1331 -203515.3450 2784.9854 0.0000 0.0000 52257.6549 -109292.3536 300.3255 -161550.0085 -108917.8232 298.9459 -48.9399 -14.8648 762633.1589 -3.6683 -3.6923 PRESSURE: 3839000 -101.749 -55.772 102.953 -55.7722 -2.52445 163.782 102.952 163.782 -25.9704 GPRESSURE: 3839000 -67.42 -73.3909 15.5368 -72.23 15.6232 165.014 53.186 128.237 0.42173 PRESSAVG: 3839000 18.8547 -35.6358 35.5387 -35.6358 -51.3376 13.6576 35.5388 13.6576 1.27162 GPRESSAVG: 3839000 18.8229 -34.5125 34.9951 -39.4513 -51.7556 15.3335 36.4259 9.35073 1.19378 TIMING: 3839000 CPU: 12459, 0.00312441/step Wall: 12459, 0.00312441/step, 1.00762 hours remaining, 234.425781 MB of memory in use. ENERGY: 3839000 3866.2525 20605.8794 14381.4190 249.0112 -203347.6370 2694.3886 0.0000 0.0000 52202.7319 -109347.9543 300.0098 -161550.6862 -108990.6057 299.3648 -43.4145 -17.1250 762926.1927 -10.4038 -10.5796 PRESSURE: 3839200 173.476 145.82 5.22862 145.821 41.1315 -33.7997 5.22861 -33.7998 235.539 GPRESSURE: 3839200 292.97 147.942 -11.3447 29.2828 50.2569 -62.5011 -65.3532 -55.7359 215.523 PRESSAVG: 3839200 4.87165 -46.9165 7.49986 -46.9165 -14.09 1.34022 7.49984 1.34023 26.2851 GPRESSAVG: 3839200 3.71042 -48.4193 7.63107 -44.3663 -13.5519 -1.54738 8.62014 5.00049 27.568 TIMING: 3839200 CPU: 12459.7, 0.00309993/step Wall: 12459.7, 0.00309993/step, 0.999556 hours remaining, 234.425781 MB of memory in use. ENERGY: 3839200 3945.9019 20425.8370 14491.9145 240.8544 -203130.3499 2726.0211 0.0000 0.0000 51930.3483 -109369.4727 298.4444 -161299.8210 -109010.6434 299.3314 150.0491 186.2499 761668.1247 5.6889 5.9089 PRESSURE: 3839400 -161.864 -113.761 48.5426 -113.762 135.04 120.368 48.5436 120.368 305.964 GPRESSURE: 3839400 -158.541 -160.111 -0.564848 -133.019 205.033 142.268 111.009 117.579 332.923 PRESSAVG: 3839400 30.2758 -50.6718 3.92704 -50.6718 -27.5148 43.415 3.92711 43.4151 -3.62885 GPRESSAVG: 3839400 32.194 -50.9548 4.25072 -50.3629 -28.6075 42.9871 2.93931 43.168 -4.26203 TIMING: 3839400 CPU: 12460.3, 0.0031207/step Wall: 12460.3, 0.0031207/step, 1.00608 hours remaining, 234.425781 MB of memory in use. ENERGY: 3839400 3982.7930 20578.4792 14446.0747 247.1431 -203586.3737 2715.0677 0.0000 0.0000 52061.6628 -109555.1531 299.1991 -161616.8159 -109198.9361 299.3775 93.0465 126.4720 760976.4105 -0.2893 -0.2252 PRESSURE: 3839600 119.468 65.1873 -241.47 65.1873 -212.182 4.67493 -241.47 4.67577 72.4656 GPRESSURE: 3839600 147.173 96.4231 -299.779 9.49602 -222.959 25.3439 -203.51 -70.8302 141.771 PRESSAVG: 3839600 22.5856 -37.7578 -9.18379 -37.7578 -27.3926 37.565 -9.18375 37.565 23.9909 GPRESSAVG: 3839600 22.1594 -36.0244 -8.5879 -39.8428 -28.3553 38.8835 -6.12777 36.4569 24.9676 TIMING: 3839600 CPU: 12460.9, 0.00313693/step Wall: 12460.9, 0.00313693/step, 1.01114 hours remaining, 234.425781 MB of memory in use. ENERGY: 3839600 4020.6294 20368.2385 14411.2255 258.0939 -203156.3618 2518.1057 0.0000 0.0000 51981.7467 -109598.3220 298.7398 -161580.0687 -109241.6190 299.4785 -6.7497 21.9953 761932.6717 6.3946 6.2572 PRESSURE: 3839800 -47.8152 -114.678 -232.769 -114.678 -365.463 -36.2365 -232.768 -36.2363 21.935 GPRESSURE: 3839800 -47.8233 -144.537 -267.292 -56.0926 -260.692 -76.4021 -204.037 39.7305 20.8349 PRESSAVG: 3839800 41.9556 -44.4433 26.5322 -44.4432 -25.0008 22.7712 26.5322 22.7712 17.8874 GPRESSAVG: 3839800 40.9077 -43.4671 26.3749 -43.9272 -22.8542 23.827 24.4423 23.4963 16.5412 TIMING: 3839800 CPU: 12461.5, 0.00312833/step Wall: 12461.5, 0.00312833/step, 1.00819 hours remaining, 234.425781 MB of memory in use. ENERGY: 3839800 3967.2345 20590.6322 14459.3070 255.7777 -203272.7239 2451.1979 0.0000 0.0000 52075.3858 -109473.1889 299.2780 -161548.5747 -109111.2614 299.0926 -130.4479 -95.8935 761036.1187 11.6141 11.5315 PRESSURE: 3840000 -400.727 -40.0259 86.8797 -40.0266 -349.226 34.2579 86.8805 34.2576 -246.652 GPRESSURE: 3840000 -409.74 47.7289 152.23 -70.7192 -353.937 -2.13752 162.387 -73.2221 -191.259 PRESSAVG: 3840000 0.955066 -49.52 1.17664 -49.52 -5.32336 52.0553 1.17665 52.0553 -20.1794 GPRESSAVG: 3840000 2.11158 -51.4605 0.955371 -49.2006 -5.85433 51.5041 -0.665038 51.927 -21.1312 TIMING: 3840000 CPU: 12462.2, 0.00312743/step Wall: 12462.2, 0.00312743/step, 1.00773 hours remaining, 234.425781 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: 3840000 4006.6741 20538.6388 14397.6521 242.7477 -203311.1629 2412.9265 0.0000 0.0000 52214.2426 -109498.2812 300.0760 -161712.5238 -109129.4243 299.5171 -332.2017 -318.3121 763749.6124 -8.1826 -8.2913 PRESSURE: 3840200 100.707 97.9823 116.48 97.9826 53.5161 -55.0503 116.48 -55.0499 -19.7491 GPRESSURE: 3840200 121.538 18.3048 -63.4872 101.726 87.1947 -28.8188 172.15 -71.5044 -3.82318 PRESSAVG: 3840200 9.81818 -6.49668 -79.7623 -6.49669 8.1196 43.8211 -79.7623 43.8212 5.4991 GPRESSAVG: 3840200 9.38865 -5.59105 -81.7533 -6.37292 7.99546 43.0958 -78.7845 43.6387 5.70621 TIMING: 3840200 CPU: 12462.8, 0.00312514/step Wall: 12462.8, 0.00312514/step, 1.00682 hours remaining, 234.425781 MB of memory in use. ENERGY: 3840200 4073.5567 20356.4324 14499.3571 251.8604 -203717.2851 2815.1504 0.0000 0.0000 52175.5690 -109545.3591 299.8537 -161720.9281 -109179.1677 299.5923 44.8247 68.3032 761520.0693 7.8123 7.6968 LDB: ============= START OF LOAD BALANCING ============== 12475.2 LDB: ============== END OF LOAD BALANCING =============== 12475.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12475.2 LDB: ============= START OF LOAD BALANCING ============== 12475.5 LDB: Largest compute 7033 load 0.031655 is 16.2% of average load 0.195590 LDB: Average compute 0.004395 is 2.2% of average load 0.195590 LDB: TIME 12475.5 LOAD: AVG 0.19559 MAX 0.213944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.953 MB LDB: TIME 12475.5 LOAD: AVG 0.19559 MAX 0.213944 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 12475.5 LOAD: AVG 0.19559 MAX 0.213944 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 12475.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12475.5 PRESSURE: 3840400 -177.383 -106.505 -115.791 -106.506 -426.312 -2.28893 -115.791 -2.28819 -89.9683 GPRESSURE: 3840400 -136.82 -198.542 -106.452 -67.7816 -411.335 14.9433 32.8425 49.5757 -54.3412 PRESSAVG: 3840400 48.9717 -37.0709 -33.9208 -37.0708 -3.5792 33.0669 -33.9208 33.0669 3.49757 GPRESSAVG: 3840400 49.1248 -37.7256 -30.4282 -37.2848 -3.45169 33.3481 -32.8974 32.5314 3.94644 TIMING: 3840400 CPU: 12463.4, 0.00317052/step Wall: 12463.4, 0.00317051/step, 1.02126 hours remaining, 232.800781 MB of memory in use. ENERGY: 3840400 4026.7860 20412.8533 14485.7018 226.8174 -203293.0277 2413.4378 0.0000 0.0000 52211.8325 -109515.5990 300.0621 -161727.4315 -109151.2982 299.2052 -231.2211 -200.8321 760597.7508 16.2967 16.5399 PRESSURE: 3840600 97.0316 -21.5628 39.712 -21.5629 235.541 -272.821 39.7122 -272.82 -1.98723 GPRESSURE: 3840600 176.634 -9.327 -6.60233 22.513 203.046 -254.848 -149.891 -195.549 53.6737 PRESSAVG: 3840600 10.3868 -25.648 -4.55925 -25.648 -36.939 -42.0223 -4.5593 -42.0223 5.11894 GPRESSAVG: 3840600 10.2488 -25.9476 -5.00268 -24.8821 -35.8346 -39.8347 -5.6578 -39.5751 4.67161 TIMING: 3840600 CPU: 12464, 0.00312035/step Wall: 12464, 0.00312035/step, 1.00493 hours remaining, 233.058594 MB of memory in use. ENERGY: 3840600 3950.3471 20529.6109 14547.0170 222.7447 -203529.7352 2687.6349 0.0000 0.0000 52043.1641 -109549.2165 299.0928 -161592.3806 -109192.2126 299.1264 110.1951 144.4512 762419.3791 -7.1444 -6.9714 PRESSURE: 3840800 293.791 -198.64 97.9253 -198.64 -237.047 -182.11 97.9246 -182.11 174.26 GPRESSURE: 3840800 310.212 -175.343 71.543 -54.4539 -193.884 -226.077 75.4048 -218.935 199.706 PRESSAVG: 3840800 69.3914 -48.4508 -17.9562 -48.4508 -45.8468 -5.79518 -17.9561 -5.7951 -13.4769 GPRESSAVG: 3840800 69.1344 -49.2525 -19.1701 -47.6993 -47.1641 -8.22254 -17.829 -5.32486 -12.4658 TIMING: 3840800 CPU: 12464.7, 0.00311831/step Wall: 12464.7, 0.00311831/step, 1.00409 hours remaining, 233.058594 MB of memory in use. ENERGY: 3840800 4013.0515 20261.8402 14408.9567 252.9552 -203048.1595 2448.9404 0.0000 0.0000 52053.7548 -109608.6607 299.1536 -161662.4155 -109248.8719 298.9443 77.0015 105.3446 761476.0212 3.3559 3.1682 PRESSURE: 3841000 -92.8682 45.921 -185.534 45.9221 -207.029 128.137 -185.535 128.138 127.192 GPRESSURE: 3841000 -78.2819 144.779 -231.888 17.1727 -195.082 135.384 -59.1497 20.195 189.469 PRESSAVG: 3841000 13.1962 -23.7064 -32.8145 -23.7065 -71.0026 -11.207 -32.8145 -11.2071 21.8817 GPRESSAVG: 3841000 13.3092 -22.4798 -34.593 -24.3339 -71.4771 -10.2751 -31.1194 -13.1687 22.934 TIMING: 3841000 CPU: 12465.3, 0.00311911/step Wall: 12465.3, 0.00311912/step, 1.00418 hours remaining, 233.058594 MB of memory in use. ENERGY: 3841000 3945.5789 20428.5159 14381.3302 220.4920 -202977.0901 2247.7537 0.0000 0.0000 52092.7241 -109660.6954 299.3776 -161753.4195 -109306.4435 298.3394 -57.5686 -27.9650 762532.6853 -11.9749 -11.7446 PRESSURE: 3841200 213.908 -7.66698 140.967 -7.66727 -104.183 -38.644 140.967 -38.644 -38.9124 GPRESSURE: 3841200 180.607 -62.2977 171.543 37.9812 -42.4362 -78.5663 162.421 98.6841 29.2335 PRESSAVG: 3841200 7.55798 -21.7551 -0.493603 -21.7551 -5.10469 89.4941 -0.493638 89.4942 13.6218 GPRESSAVG: 3841200 7.67158 -23.1299 0.464045 -20.674 -4.31254 88.5521 -0.72876 89.4434 13.2628 TIMING: 3841200 CPU: 12465.9, 0.00312846/step Wall: 12465.9, 0.00312846/step, 1.00702 hours remaining, 233.058594 MB of memory in use. ENERGY: 3841200 3978.9586 20536.7413 14411.2539 257.3619 -203642.8107 2747.6133 0.0000 0.0000 52206.7409 -109504.1408 300.0329 -161710.8817 -109138.3823 299.2638 23.6042 55.8014 762498.9048 5.3584 5.5406 PRESSURE: 3841400 -44.15 -141.495 -235.904 -141.496 -148.97 93.5938 -235.904 93.5933 118.705 GPRESSURE: 3841400 9.81678 -113.638 -244.626 -82.7446 -155.492 140.99 -221.329 -62.8295 142.525 PRESSAVG: 3841400 -4.4891 -22.7972 -9.33973 -22.7972 0.62746 27.1743 -9.33979 27.1744 15.377 GPRESSAVG: 3841400 -4.09277 -21.4685 -8.42749 -24.6118 0.200007 27.3193 -11.2185 26.0001 14.8646 TIMING: 3841400 CPU: 12466.5, 0.00311317/step Wall: 12466.5, 0.00311317/step, 1.00192 hours remaining, 233.058594 MB of memory in use. ENERGY: 3841400 4003.9085 20481.7981 14507.6979 243.7943 -203146.4002 2389.5169 0.0000 0.0000 52084.0736 -109435.6108 299.3279 -161519.6844 -109062.8279 299.2495 -24.8052 -1.0502 763248.6478 3.8384 3.6573 PRESSURE: 3841600 16.2483 -101.171 42.5714 -101.171 208.892 -203.891 42.5713 -203.891 43.1622 GPRESSURE: 3841600 119.987 -3.34253 123.126 -75.5512 193.47 -174.011 -90.8566 -143.404 61.8696 PRESSAVG: 3841600 45.0336 -63.7367 14.3077 -63.7367 -44.551 -14.1285 14.3077 -14.1285 -7.54198 GPRESSAVG: 3841600 44.2985 -62.3288 16.1027 -62.4476 -44.6809 -12.6109 12.7273 -12.1512 -7.18316 TIMING: 3841600 CPU: 12467.2, 0.0031402/step Wall: 12467.2, 0.0031402/step, 1.01045 hours remaining, 233.058594 MB of memory in use. ENERGY: 3841600 3973.4475 20445.4154 14486.4800 262.4689 -203380.4934 2729.9530 0.0000 0.0000 52043.4902 -109439.2383 299.0947 -161482.7285 -109081.3138 299.0091 89.4342 125.1090 760764.0814 -2.3531 -2.5219 PRESSURE: 3841800 -44.4898 66.5223 -37.6638 66.5223 -328.08 -60.7166 -37.6644 -60.7155 224.97 GPRESSURE: 3841800 -134.135 93.1798 -53.8757 -33.282 -163.842 -125.438 39.8536 -32.6447 234.064 PRESSAVG: 3841800 2.31847 -47.8962 12.4737 -47.8961 -59.6031 -8.09179 12.4737 -8.09174 8.93405 GPRESSAVG: 3841800 2.81852 -49.4368 10.4205 -48.0563 -59.1792 -9.70954 14.2394 -9.7298 8.45112 TIMING: 3841800 CPU: 12467.8, 0.0031413/step Wall: 12467.8, 0.0031413/step, 1.01063 hours remaining, 233.058594 MB of memory in use. ENERGY: 3841800 3942.8026 20318.2233 14389.9207 255.2848 -202701.6849 2294.7406 0.0000 0.0000 52049.7484 -109450.9645 299.1306 -161500.7129 -109087.7653 299.3502 -49.1999 -21.3044 762774.7713 -16.1168 -15.9698 PRESSURE: 3842000 -134.76 -86.661 73.3499 -86.6609 -183.055 -119.367 73.3498 -119.368 -71.8621 GPRESSURE: 3842000 -112.909 -32.4128 25.9283 -107.327 -72.2049 -137.821 85.2861 -195.305 -116.648 PRESSAVG: 3842000 24.7897 -11.2918 11.2544 -11.2918 -2.11647 -28.4795 11.2543 -28.4795 -7.0087 GPRESSAVG: 3842000 24.3212 -11.1845 10.6594 -10.8718 -2.10478 -29.3029 12.5186 -24.6905 -6.98925 TIMING: 3842000 CPU: 12468.4, 0.0031165/step Wall: 12468.4, 0.0031165/step, 1.00247 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3842000 3931.9386 20423.2146 14459.6946 234.8237 -202950.9431 2383.0676 0.0000 0.0000 52046.7963 -109471.4077 299.1137 -161518.2040 -109108.5450 298.9996 -129.8924 -100.5876 763106.4877 5.2215 5.0757 PRESSURE: 3842200 -61.3931 110.28 -4.67133 110.279 -22.8493 176.469 -4.67071 176.469 -313.94 GPRESSURE: 3842200 32.4273 213.291 83.2132 144.237 -22.8748 170.832 -42.4874 55.5535 -323.182 PRESSAVG: 3842200 12.4564 9.39846 -4.85649 9.39847 -53.6232 -26.1896 -4.85655 -26.1895 -1.93032 GPRESSAVG: 3842200 13.3843 10.4265 -4.68812 8.3252 -55.6014 -25.8712 -6.42117 -26.6714 0.0671024 TIMING: 3842200 CPU: 12469, 0.00313122/step Wall: 12469, 0.00313122/step, 1.00704 hours remaining, 233.058594 MB of memory in use. ENERGY: 3842200 3926.7142 20433.6039 14398.0535 236.4070 -203160.5933 2462.4671 0.0000 0.0000 52314.0335 -109389.3141 300.6495 -161703.3476 -109026.8324 299.4551 -132.7273 -104.5432 761560.8171 -14.3657 -14.0500 PRESSURE: 3842400 -213.264 55.7756 2.46572 55.7757 11.4739 -71.9578 2.46509 -71.9574 274.927 GPRESSURE: 3842400 -192.223 173.769 -46.2685 8.65873 85.9213 -49.6644 2.68373 -180.743 266.44 PRESSAVG: 3842400 -2.57605 -2.52733 1.40899 -2.52723 -0.66974 -0.247284 1.40903 -0.247348 -2.63523 GPRESSAVG: 3842400 -2.83864 -4.74868 1.41927 -0.485833 0.61565 0.423368 2.91935 -2.07753 -4.05336 TIMING: 3842400 CPU: 12469.7, 0.00313106/step Wall: 12469.7, 0.00313106/step, 1.00681 hours remaining, 233.058594 MB of memory in use. ENERGY: 3842400 3958.8971 20419.6093 14412.4955 242.5302 -202904.8001 2341.2876 0.0000 0.0000 52039.0041 -109490.9762 299.0689 -161529.9803 -109135.9877 299.4472 24.3790 53.3794 762486.1341 -1.9603 -2.0921 PRESSURE: 3842600 -238.233 -70.8699 62.4306 -70.8702 -67.0542 75.8424 62.4307 75.842 -146.503 GPRESSURE: 3842600 -143.113 -55.0196 5.36776 -85.8378 -114.968 121.631 40.1893 -13.2787 -89.6123 PRESSAVG: 3842600 -26.2482 48.0663 8.11884 48.0663 45.2121 -8.4238 8.11889 -8.42377 23.7912 GPRESSAVG: 3842600 -25.9191 50.7673 6.64052 47.0157 44.6051 -7.71295 9.9339 -8.14091 23.852 TIMING: 3842600 CPU: 12470.3, 0.00313937/step Wall: 12470.3, 0.00313937/step, 1.00931 hours remaining, 233.058594 MB of memory in use. ENERGY: 3842600 4095.1639 20432.0509 14392.6289 252.1253 -203560.4238 2610.7609 0.0000 0.0000 52278.6088 -109499.0849 300.4459 -161777.6938 -109135.7906 299.1743 -150.5969 -115.8980 761827.1430 14.2517 14.1793 PRESSURE: 3842800 -120.882 22.6673 194.585 22.6668 -7.51871 -45.6668 194.586 -45.6664 261.68 GPRESSURE: 3842800 -77.5506 -39.7474 166.139 30.6644 73.9388 -64.772 193.702 34.4362 233.437 PRESSAVG: 3842800 37.3712 8.37295 13.0949 8.373 -18.7857 -10.735 13.0949 -10.735 8.71714 GPRESSAVG: 3842800 36.7966 6.10598 14.654 7.5395 -18.9795 -11.1425 9.55494 -12.5723 8.8273 TIMING: 3842800 CPU: 12470.9, 0.00313539/step Wall: 12470.9, 0.00313539/step, 1.00785 hours remaining, 233.058594 MB of memory in use. ENERGY: 3842800 3980.9553 20415.2809 14462.3674 258.6750 -203019.1363 2504.7049 0.0000 0.0000 51983.7352 -109413.4175 298.7512 -161397.1527 -109041.4927 299.2933 44.4265 76.6083 762811.9219 9.1009 8.8815 PRESSURE: 3843000 99.7545 -18.9224 -18.6705 -18.9232 195.574 -136.981 -18.6707 -136.98 -312.67 GPRESSURE: 3843000 69.8089 26.0899 -73.3332 50.9393 152.092 -220.4 -94.6756 -103.242 -155.037 PRESSAVG: 3843000 51.7409 35.0144 32.7942 35.0143 -52.7689 -12.4954 32.7942 -12.4954 9.03296 GPRESSAVG: 3843000 50.7114 33.6906 31.1782 36.761 -52.5967 -13.3967 33.1901 -9.50107 9.64912 TIMING: 3843000 CPU: 12471.5, 0.00312659/step Wall: 12471.5, 0.00312659/step, 1.00485 hours remaining, 233.058594 MB of memory in use. ENERGY: 3843000 4030.2749 20544.2184 14480.9933 267.0422 -202621.9769 2210.5188 0.0000 0.0000 51956.7893 -109132.1400 298.5964 -161088.9294 -108767.6292 299.6820 -5.7807 22.2878 761396.6107 2.6683 2.5879 PRESSURE: 3843200 -115.362 11.7128 154.418 11.7132 -185.323 -92.0308 154.417 -92.0321 -79.881 GPRESSURE: 3843200 -10.2104 -31.0352 25.9115 -25.6425 -168.364 22.7726 145.776 -116.257 -141.304 PRESSAVG: 3843200 54.9094 -16.4194 3.87387 -16.4194 -53.5142 -41.1956 3.87386 -41.1957 6.6881 GPRESSAVG: 3843200 55.504 -14.2927 2.88031 -18.2716 -52.5813 -40.3947 6.88952 -42.7613 5.38195 TIMING: 3843200 CPU: 12472.2, 0.00314357/step Wall: 12472.2, 0.00314357/step, 1.01014 hours remaining, 233.058594 MB of memory in use. ENERGY: 3843200 3947.1221 20514.0166 14426.8606 247.7080 -203050.6740 2412.5962 0.0000 0.0000 52220.0201 -109282.3505 300.1092 -161502.3705 -108919.8492 299.6425 -126.8554 -106.6261 761456.7389 2.6944 2.7682 PRESSURE: 3843400 91.4609 -40.3361 -0.0337963 -40.3365 61.8114 9.41147 -0.0333311 9.41223 -365.115 GPRESSURE: 3843400 76.3958 -112.874 41.2094 -99.2209 68.3337 38.6229 41.6593 5.38704 -277.428 PRESSAVG: 3843400 46.2572 36.5637 -12.5316 36.5637 -0.290918 41.1626 -12.5316 41.1625 0.0215264 GPRESSAVG: 3843400 48.5726 35.5593 -10.1653 36.0813 -2.40075 41.4958 -13.6439 41.1108 -0.217096 TIMING: 3843400 CPU: 12472.8, 0.0031233/step Wall: 12472.8, 0.0031233/step, 1.00345 hours remaining, 233.058594 MB of memory in use. ENERGY: 3843400 4049.8162 20709.3670 14507.6485 236.3189 -203523.6018 2653.4896 0.0000 0.0000 52147.5958 -109219.3658 299.6930 -161366.9616 -108848.7879 299.6489 -70.6142 -44.2329 761124.9404 15.3293 15.3182 PRESSURE: 3843600 -97.1004 67.9232 -344.8 67.924 -335.258 60.7165 -344.8 60.7162 -33.758 GPRESSURE: 3843600 -77.4803 -59.6854 -306.162 -9.7589 -225.989 48.6737 -232.058 79.2953 -106.708 PRESSAVG: 3843600 29.8906 6.15453 -52.6773 6.15457 -27.3737 -42.0272 -52.6773 -42.0272 -3.1939 GPRESSAVG: 3843600 27.0496 7.23075 -53.9469 5.95639 -25.3652 -42.5974 -50.6929 -40.7081 -2.34695 TIMING: 3843600 CPU: 12473.4, 0.00312462/step Wall: 12473.4, 0.00312462/step, 1.0037 hours remaining, 233.058594 MB of memory in use. ENERGY: 3843600 4056.3614 20523.1147 14428.9894 239.5658 -203160.6043 2538.0266 0.0000 0.0000 52428.5089 -108946.0374 301.3074 -161374.5464 -108572.7908 300.1357 -155.3721 -136.7259 764065.8056 -0.2257 -0.2209 PRESSURE: 3843800 -69.3469 -72.4599 -50.3235 -72.4611 -291.992 -395.488 -50.3235 -395.488 -192.364 GPRESSURE: 3843800 -6.42517 -25.1612 -78.0295 -97.7277 -330.731 -391.178 -36.0936 -330.461 -131.76 PRESSAVG: 3843800 37.8574 -6.91696 -11.8393 -6.91702 -27.8877 -7.25167 -11.8392 -7.25173 -20.5057 GPRESSAVG: 3843800 38.1711 -8.61296 -10.2266 -5.94822 -27.1727 -8.33935 -14.1577 -7.17564 -21.9766 TIMING: 3843800 CPU: 12474, 0.00312403/step Wall: 12474, 0.00312403/step, 1.00333 hours remaining, 233.058594 MB of memory in use. ENERGY: 3843800 4099.7492 20750.1061 14387.9072 238.8823 -202973.7685 2302.6899 0.0000 0.0000 52242.5190 -108951.9148 300.2385 -161194.4338 -108596.6360 300.3391 -184.5677 -156.3056 763670.2458 -3.5120 -3.6594 PRESSURE: 3844000 106.921 -26.8383 218.664 -26.8393 -376.899 -145.533 218.665 -145.533 192.717 GPRESSURE: 3844000 74.9532 -24.2428 234.331 4.87993 -332.816 -164.878 43.9388 -189.633 255.357 PRESSAVG: 3844000 78.1887 -8.98938 1.94078 -8.98938 -30.2453 -54.5236 1.94077 -54.5237 5.54439 GPRESSAVG: 3844000 76.5252 -7.25009 2.50388 -9.84567 -30.3142 -54.6831 1.04689 -53.885 7.6118 TIMING: 3844000 CPU: 12474.7, 0.00314576/step Wall: 12474.7, 0.00314576/step, 1.01014 hours remaining, 233.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3844000 3931.1896 20507.0372 14483.2871 253.3813 -202693.4090 2110.4038 0.0000 0.0000 52457.2806 -108950.8295 301.4727 -161408.1101 -108589.8660 300.3588 -25.7540 -0.8355 762300.8371 17.8292 17.9409 PRESSURE: 3844200 -150.334 164.131 6.13597 164.131 -159.359 204.581 6.13596 204.58 190.607 GPRESSURE: 3844200 -79.2636 135.015 -5.07118 -7.81067 -74.6768 205.15 57.031 196.897 129.623 PRESSAVG: 3844200 36.3507 -9.59456 10.2073 -9.5946 -36.5133 -46.5654 10.2074 -46.5654 -12.5873 GPRESSAVG: 3844200 37.2712 -11.4999 8.17372 -9.93716 -37.2468 -45.3161 10.2159 -47.9163 -13.0997 TIMING: 3844200 CPU: 12475.3, 0.00313418/step Wall: 12475.3, 0.00313418/step, 1.00625 hours remaining, 233.058594 MB of memory in use. ENERGY: 3844200 3938.5539 20591.6140 14370.7230 253.3247 -203240.6917 2769.0710 0.0000 0.0000 52116.9042 -109200.5010 299.5166 -161317.4051 -108831.5746 300.3612 -39.6955 -8.1057 763241.2690 -4.2500 -4.3585 LDB: ============= START OF LOAD BALANCING ============== 12487.7 LDB: ============== END OF LOAD BALANCING =============== 12487.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12487.7 LDB: ============= START OF LOAD BALANCING ============== 12488 LDB: Largest compute 7033 load 0.032288 is 16.5% of average load 0.195636 LDB: Average compute 0.004387 is 2.2% of average load 0.195636 LDB: TIME 12488 LOAD: AVG 0.195636 MAX 0.217074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.824 MB LDB: TIME 12488 LOAD: AVG 0.195636 MAX 0.217074 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.992 MB LDB: TIME 12488 LOAD: AVG 0.195636 MAX 0.217074 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.992 MB LDB: ============== END OF LOAD BALANCING =============== 12488 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12488 PRESSURE: 3844400 195.843 -196.904 -234.663 -196.904 93.0435 -127.639 -234.664 -127.638 506.894 GPRESSURE: 3844400 261.107 -90.2173 -156.515 -142.001 115.041 -114.914 -166.201 -185.166 500.14 PRESSAVG: 3844400 -24.1101 -18.2548 9.1244 -18.2548 -14.4338 -47.1253 9.12438 -47.1252 18.9904 GPRESSAVG: 3844400 -23.0085 -15.3615 10.4661 -17.547 -14.2844 -48.1475 9.50546 -47.6709 17.9041 TIMING: 3844400 CPU: 12475.9, 0.00319481/step Wall: 12475.9, 0.00319481/step, 1.02553 hours remaining, 234.339844 MB of memory in use. ENERGY: 3844400 3986.6374 20515.4842 14439.1058 262.0878 -203375.9811 2651.8715 0.0000 0.0000 52203.9762 -109316.8182 300.0170 -161520.7944 -108959.2137 299.5527 265.2600 292.0960 761080.2901 -6.5178 -6.4629 PRESSURE: 3844600 242.379 241.059 121.746 241.06 51.1352 -143.541 121.746 -143.54 29.2882 GPRESSURE: 3844600 283.979 276.433 49.5309 239.823 26.7382 -240.95 109.621 -123.339 87.8558 PRESSAVG: 3844600 23.1894 45.2651 9.27332 45.2651 -40.5176 -21.7863 9.27332 -21.7863 -4.7272 GPRESSAVG: 3844600 21.8499 44.0557 7.65342 46.4829 -41.7837 -20.8608 11.7267 -20.7909 -2.66966 TIMING: 3844600 CPU: 12476.6, 0.00311091/step Wall: 12476.6, 0.00311091/step, 0.998429 hours remaining, 234.871094 MB of memory in use. ENERGY: 3844600 3993.3441 20531.4777 14435.0806 254.2969 -202891.7260 2239.8327 0.0000 0.0000 51996.4602 -109441.2337 298.8244 -161437.6939 -109086.7388 299.6931 107.6007 132.8575 761759.4684 -7.3518 -7.5345 PRESSURE: 3844800 51.5453 -22.1327 122.951 -22.1333 -93.2796 -46.3183 122.95 -46.3177 -79.9661 GPRESSURE: 3844800 67.0981 -117.969 206.344 -3.27069 -37.6898 31.4386 -18.0506 97.2882 -58.2014 PRESSAVG: 3844800 27.3353 3.19881 13.6541 3.19883 -43.9779 52.671 13.654 52.6711 -12.7723 GPRESSAVG: 3844800 27.6201 3.70324 14.4901 1.30039 -44.389 53.9332 12.7255 54.3993 -12.8909 TIMING: 3844800 CPU: 12477.2, 0.00312171/step Wall: 12477.2, 0.00312171/step, 1.00172 hours remaining, 234.871094 MB of memory in use. ENERGY: 3844800 3976.3390 20673.0254 14373.6469 235.0570 -203592.8859 2743.2807 0.0000 0.0000 52095.0481 -109496.4888 299.3910 -161591.5369 -109131.1195 299.6235 -40.5668 -9.5977 760193.4904 -9.8050 -9.8866 PRESSURE: 3845000 276.953 -49.1051 -203.949 -49.1057 214.065 207.477 -203.949 207.478 166.405 GPRESSURE: 3845000 251.538 -59.5808 -102.643 32.6676 260.492 293.788 -211.653 205.246 226.988 PRESSAVG: 3845000 29.7308 -32.8708 47.7895 -32.8708 -50.946 22.3228 47.7896 22.3227 13.0144 GPRESSAVG: 3845000 28.8731 -33.9315 48.0701 -31.6549 -48.6606 21.6103 47.2341 20.1107 11.2508 TIMING: 3845000 CPU: 12477.8, 0.00313093/step Wall: 12477.8, 0.00313093/step, 1.00451 hours remaining, 234.871094 MB of memory in use. ENERGY: 3845000 4017.6124 20432.2681 14393.4447 259.5806 -203341.5906 2809.1087 0.0000 0.0000 52095.6672 -109333.9089 299.3945 -161429.5761 -108961.3172 299.5748 219.1412 246.3393 760564.1543 -2.7336 -2.8456 PRESSURE: 3845200 -39.6374 105.64 -77.7851 105.639 -406.634 -44.7828 -77.7854 -44.7818 89.6993 GPRESSURE: 3845200 25.1425 157.886 -41.5442 12.2053 -388.55 -35.4949 -226.866 -32.6367 114.824 PRESSAVG: 3845200 8.2083 1.60374 49.5446 1.60372 -19.5542 37.9653 49.5445 37.9653 -29.5661 GPRESSAVG: 3845200 9.67583 0.147066 49.7333 1.34004 -21.281 39.4191 49.5346 36.9644 -29.0732 TIMING: 3845200 CPU: 12478.4, 0.00311509/step Wall: 12478.4, 0.00311509/step, 0.999253 hours remaining, 234.871094 MB of memory in use. ENERGY: 3845200 4124.7585 20603.8621 14418.4395 235.9775 -203071.7577 2263.5549 0.0000 0.0000 52146.4266 -109278.7385 299.6862 -161425.1651 -108921.2049 299.3470 -118.8573 -82.8611 762853.1857 -13.6373 -13.5594 PRESSURE: 3845400 -416.242 -136.16 -48.0146 -136.16 -167.698 259.603 -48.0143 259.603 279.818 GPRESSURE: 3845400 -260.127 -234.864 -51.7054 -96.6617 -217.577 213.04 3.57187 230.796 254.487 PRESSAVG: 3845400 80.5105 -9.69077 29.5738 -9.69077 -53.8803 15.4813 29.5738 15.4812 8.78012 GPRESSAVG: 3845400 80.2289 -9.39752 27.8792 -9.76452 -54.2819 13.1655 29.3921 17.4693 9.84731 TIMING: 3845400 CPU: 12479.1, 0.0031334/step Wall: 12479.1, 0.0031334/step, 1.00495 hours remaining, 234.871094 MB of memory in use. ENERGY: 3845400 4004.7468 20733.7353 14459.9377 234.6012 -202923.2974 2395.5284 0.0000 0.0000 51964.1343 -109130.6138 298.6386 -161094.7481 -108776.0333 299.6499 -101.3740 -74.4057 762215.4601 11.8034 11.9314 PRESSURE: 3845600 197.685 83.0415 419.838 83.0416 168.882 -51.4614 419.838 -51.4617 -328.051 GPRESSURE: 3845600 184.346 65.8898 380.29 109.524 222.855 -105.818 335.425 -37.1198 -316.023 PRESSAVG: 3845600 34.1652 10.9989 -4.61063 10.9988 -18.3097 -34.2616 -4.61063 -34.2615 16.8323 GPRESSAVG: 3845600 34.2469 11.5503 -4.63275 13.0824 -16.8946 -32.7785 -4.55553 -34.8267 15.2978 TIMING: 3845600 CPU: 12479.7, 0.00312451/step Wall: 12479.7, 0.00312451/step, 1.00193 hours remaining, 234.871094 MB of memory in use. ENERGY: 3845600 3981.2899 20572.3362 14403.7321 249.2115 -203245.8463 2638.4254 0.0000 0.0000 52014.0366 -109386.8146 298.9254 -161400.8512 -109036.3372 299.8244 12.8390 30.3927 761536.9561 10.8959 10.8833 PRESSURE: 3845800 23.6336 -31.4798 -6.63182 -31.4793 -54.9381 125.811 -6.63204 125.811 -316.668 GPRESSURE: 3845800 28.1778 -80.5558 -58.0053 -76.0224 -6.76737 115.928 -3.70395 15.3678 -263.081 PRESSAVG: 3845800 34.3467 5.86413 28.2748 5.86416 -33.0656 23.0046 28.2749 23.0046 15.8116 GPRESSAVG: 3845800 33.9387 7.38019 30.7367 3.07249 -33.2622 22.0066 25.7638 23.1362 16.9322 TIMING: 3845800 CPU: 12480.3, 0.00312246/step Wall: 12480.3, 0.00312246/step, 1.0011 hours remaining, 234.871094 MB of memory in use. ENERGY: 3845800 3970.4906 20536.4836 14469.3625 259.9312 -203092.9839 2510.7703 0.0000 0.0000 52220.1247 -109125.8210 300.1098 -161345.9457 -108768.1349 299.6706 -115.9908 -80.5567 761014.3282 5.6976 5.8696 PRESSURE: 3846000 -229.751 -336.5 43.2114 -336.501 35.2733 26.4444 43.2112 26.4445 -380.501 GPRESSURE: 3846000 -147.71 -234.735 82.7712 -222.803 39.8744 77.995 60.0302 -91.1562 -385.127 PRESSAVG: 3846000 24.2484 -36.0329 42.0046 -36.0329 2.78875 -51.5885 42.0046 -51.5885 3.16466 GPRESSAVG: 3846000 25.3659 -36.5828 40.832 -34.4255 1.72155 -52.1732 42.2545 -50.7706 3.18966 TIMING: 3846000 CPU: 12480.9, 0.00312172/step Wall: 12480.9, 0.00312172/step, 1.00068 hours remaining, 234.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 4039.2828 20601.0757 14430.0851 249.4122 -203472.5985 2815.3197 0.0000 0.0000 52250.0806 -109087.3422 300.2819 -161337.4229 -108730.3511 300.0609 -191.6598 -164.3207 761108.5698 10.0673 10.0924 PRESSURE: 3846200 -133.017 -20.0971 -119.4 -20.0978 -616.625 -135.461 -119.4 -135.461 -226.487 GPRESSURE: 3846200 -71.8392 19.5749 -86.438 6.3162 -541.074 -190.549 -107.745 -96.5497 -276.869 PRESSAVG: 3846200 62.3116 -0.499708 39.0058 -0.499664 -7.99755 17.0387 39.0059 17.0387 -25.7317 GPRESSAVG: 3846200 61.4098 0.365213 38.3344 -0.0367896 -7.35138 17.1484 38.9753 17.8675 -25.8308 TIMING: 3846200 CPU: 12481.6, 0.00311899/step Wall: 12481.6, 0.00311899/step, 0.999638 hours remaining, 234.871094 MB of memory in use. ENERGY: 3846200 4002.6860 20494.2710 14413.2609 240.3416 -202795.0263 2256.1762 0.0000 0.0000 52276.4466 -109111.8439 300.4335 -161388.2905 -108748.7439 300.4638 -325.3764 -296.5941 762990.5984 9.5274 9.4092 PRESSURE: 3846400 6.76138 38.6396 28.8818 38.6394 76.3392 191.166 28.8824 191.167 -165.266 GPRESSURE: 3846400 25.7037 30.7545 -18.5095 61.97 87.1406 240.358 47.9271 253.008 -104.692 PRESSAVG: 3846400 -23.0457 -18.5005 0.640748 -18.5006 36.9817 -17.5249 0.640787 -17.5249 32.4044 GPRESSAVG: 3846400 -22.5289 -17.9002 1.34608 -18.9726 36.9238 -17.0889 2.63318 -18.8127 32.3249 TIMING: 3846400 CPU: 12482.2, 0.00311352/step Wall: 12482.2, 0.00311352/step, 0.99771 hours remaining, 234.871094 MB of memory in use. ENERGY: 3846400 3934.1520 20607.6587 14462.5811 263.0952 -203154.9049 2542.9056 0.0000 0.0000 52354.4430 -108990.0693 300.8817 -161344.5123 -108633.8788 300.4413 -27.3883 2.7176 763400.8675 15.4468 15.5733 PRESSURE: 3846600 66.6894 -20.8727 -56.5814 -20.8737 -148.896 0.482871 -56.5814 0.482628 -109.716 GPRESSURE: 3846600 17.2599 -51.645 -151.38 -189.441 -41.3424 -44.1623 -75.2567 23.2963 -71.3176 PRESSAVG: 3846600 27.6541 6.50445 16.1523 6.50437 -61.5497 -35.7642 16.1523 -35.7642 19.893 GPRESSAVG: 3846600 27.7251 5.18773 15.2955 5.83159 -60.8758 -36.6295 15.6069 -36.8297 19.447 TIMING: 3846600 CPU: 12482.8, 0.00310342/step Wall: 12482.8, 0.00310342/step, 0.994303 hours remaining, 234.871094 MB of memory in use. ENERGY: 3846600 3949.3287 20503.0315 14408.1220 248.1438 -203141.5059 2593.5863 0.0000 0.0000 52323.0898 -109116.2040 300.7015 -161439.2938 -108746.9873 300.0280 -63.9743 -31.8000 761931.9554 -4.6675 -4.5679 PRESSURE: 3846800 41.1659 90.4195 157.951 90.4195 -252.268 57.5854 157.95 57.5851 -67.647 GPRESSURE: 3846800 56.0419 42.6577 168.816 70.8937 -176.548 44.7844 273.866 75.4684 -54.6309 PRESSAVG: 3846800 6.1985 32.6221 29.6545 32.6221 1.37043 56.6379 29.6545 56.6379 -18.8366 GPRESSAVG: 3846800 6.28257 31.3751 30.1954 34.4123 0.29741 58.1333 29.6683 56.3394 -17.4846 TIMING: 3846800 CPU: 12483.4, 0.00312657/step Wall: 12483.4, 0.00312657/step, 1.00155 hours remaining, 234.871094 MB of memory in use. ENERGY: 3846800 3978.4089 20289.7013 14442.2658 223.3865 -202858.5189 2454.9567 0.0000 0.0000 51909.4094 -109560.3902 298.3241 -161469.7996 -109187.2045 299.6506 -92.9163 -58.3790 760953.3049 -3.7559 -3.6349 PRESSURE: 3847000 -281.273 -389.044 58.4751 -389.045 -148.687 -49.0225 58.4751 -49.0215 36.4005 GPRESSURE: 3847000 -223.713 -344.454 -5.27233 -270.576 -135.963 -32.1327 49.9698 -37.8388 48.8709 PRESSAVG: 3847000 20.5052 28.1424 40.6431 28.1425 -56.4994 17.1136 40.6431 17.1136 3.46434 GPRESSAVG: 3847000 21.0711 31.4271 39.6506 26.2619 -56.6937 15.3858 39.6311 19.3828 3.20995 TIMING: 3847000 CPU: 12484.1, 0.0031549/step Wall: 12484.1, 0.0031549/step, 1.01044 hours remaining, 234.871094 MB of memory in use. ENERGY: 3847000 3918.9640 20430.3410 14499.4100 222.5340 -203167.4341 2564.7932 0.0000 0.0000 52043.3258 -109488.0661 299.0937 -161531.3919 -109133.9943 298.6359 -131.1863 -103.6019 761524.1967 -10.8433 -10.8042 PRESSURE: 3847200 136.807 56.4468 39.8612 56.4473 -130.549 -117.674 39.8622 -117.673 266.884 GPRESSURE: 3847200 158.452 15.6709 143.852 54.5671 -194.835 -221.204 17.7569 -67.3865 391.102 PRESSAVG: 3847200 31.8355 -6.34096 30.0191 -6.34098 -17.6131 -27.9619 30.0191 -27.9619 4.00294 GPRESSAVG: 3847200 31.6202 -7.33175 31.3257 -6.92104 -17.8613 -26.1961 30.1294 -31.2902 4.15858 TIMING: 3847200 CPU: 12484.7, 0.00315181/step Wall: 12484.7, 0.00315181/step, 1.00928 hours remaining, 234.871094 MB of memory in use. ENERGY: 3847200 3952.2380 20306.8414 14487.1553 238.4151 -203158.7339 2499.3277 0.0000 0.0000 52174.9575 -109499.7989 299.8502 -161674.7564 -109146.0301 299.5059 91.0474 118.2395 760794.7430 6.0751 5.9725 PRESSURE: 3847400 -35.9779 41.4225 92.7265 41.4225 -330.533 138.885 92.7262 138.885 -237.793 GPRESSURE: 3847400 31.6721 65.3219 129.674 32.2031 -313.704 120.277 132.992 155.961 -240.708 PRESSAVG: 3847400 25.3933 -21.4193 -38.654 -21.4193 -27.0629 26.5576 -38.654 26.5576 -15.0938 GPRESSAVG: 3847400 25.3798 -20.9724 -41.0902 -20.5684 -27.1317 26.888 -38.4069 29.3761 -15.1054 TIMING: 3847400 CPU: 12485.3, 0.0031318/step Wall: 12485.3, 0.0031318/step, 1.0027 hours remaining, 234.871094 MB of memory in use. ENERGY: 3847400 4012.8543 20541.1721 14404.5079 247.6504 -203056.6749 2517.8962 0.0000 0.0000 51835.3588 -109497.2353 297.8985 -161332.5941 -109136.9516 299.1107 -201.4345 -174.2464 764081.1070 -5.5878 -5.6191 PRESSURE: 3847600 -351.85 11.5906 -70.7116 11.5907 -215.984 213.943 -70.7116 213.945 -542.148 GPRESSURE: 3847600 -291.27 -16.2847 -138.85 56.3228 -220.972 198.196 -17.4639 242.85 -525.266 PRESSAVG: 3847600 61.3194 -26.263 3.84216 -26.263 -83.938 30.6408 3.84215 30.6409 0.591946 GPRESSAVG: 3847600 61.2515 -26.7443 5.82037 -26.8001 -84.2455 30.2844 2.83127 27.8303 0.762629 TIMING: 3847600 CPU: 12485.9, 0.00311688/step Wall: 12485.9, 0.00311688/step, 0.997748 hours remaining, 234.871094 MB of memory in use. ENERGY: 3847600 3997.3811 20246.9672 14417.1301 201.3591 -202658.6572 2219.8232 0.0000 0.0000 52277.7721 -109298.2246 300.4411 -161575.9967 -108927.9203 299.0215 -369.9940 -345.8361 763875.4361 -7.3422 -7.4105 PRESSURE: 3847800 -250.248 -194.891 -18.6694 -194.891 -28.5284 -56.6714 -18.6693 -56.6717 -123.331 GPRESSURE: 3847800 -133.823 -160.819 -1.95044 -274.849 -60.8301 -77.4393 -15.8572 23.9624 -118.961 PRESSAVG: 3847800 90.4419 -7.88406 -20.654 -7.88406 -55.9029 42.0854 -20.654 42.0855 -8.81567 GPRESSAVG: 3847800 88.4792 -8.03535 -19.9254 -6.35637 -53.9776 42.4937 -20.0241 41.3284 -8.65471 TIMING: 3847800 CPU: 12486.6, 0.00312292/step Wall: 12486.6, 0.00312292/step, 0.999507 hours remaining, 234.871094 MB of memory in use. ENERGY: 3847800 3989.0683 20544.3844 14459.7053 238.2439 -202808.1824 2262.4353 0.0000 0.0000 51854.9244 -109459.4209 298.0110 -161314.3452 -109101.8064 299.0323 -134.0358 -104.5379 763102.4570 8.5745 8.6156 PRESSURE: 3848000 -324.986 -199.944 -77.5596 -199.943 -31.5017 271.008 -77.5583 271.009 -42.2519 GPRESSURE: 3848000 -263.149 -356.796 -43.1235 -215.98 -8.24063 267.23 -139.383 108.924 -42.3963 PRESSAVG: 3848000 32.8866 -11.9566 20.6388 -11.9567 -18.1543 -42.5949 20.6388 -42.5948 11.0877 GPRESSAVG: 3848000 35.3632 -12.3973 19.7839 -13.7613 -19.8224 -43.6427 20.0863 -38.9213 10.7179 TIMING: 3848000 CPU: 12487.2, 0.00312053/step Wall: 12487.2, 0.00312053/step, 0.998569 hours remaining, 234.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 3995.6536 20320.1375 14455.9524 253.6114 -202865.5096 2413.5112 0.0000 0.0000 52092.6233 -109334.0204 299.3770 -161426.6436 -108977.9466 299.0763 -132.9132 -104.5954 762811.1349 8.6067 8.7529 PRESSURE: 3848200 -222.879 -122.76 73.8456 -122.76 -44.2713 19.8342 73.8451 19.834 18.3935 GPRESSURE: 3848200 -176.834 -171.6 69.9541 -123.106 -66.9983 71.2604 180.498 6.95624 84.998 PRESSAVG: 3848200 -21.476 -40.3777 21.4046 -40.3777 39.1952 -1.61006 21.4047 -1.61003 0.890368 GPRESSAVG: 3848200 -22.8828 -40.5293 20.7308 -40.9378 40.4318 -2.23673 22.3195 -1.43005 0.45001 TIMING: 3848200 CPU: 12487.8, 0.00311967/step Wall: 12487.8, 0.00311967/step, 0.998122 hours remaining, 234.871094 MB of memory in use. ENERGY: 3848200 3993.5494 20339.8328 14492.0282 253.7135 -203129.8933 2522.8133 0.0000 0.0000 51967.3530 -109560.6033 298.6571 -161527.9563 -109200.3726 299.1249 -82.9189 -52.9448 761943.0028 6.2032 5.9996 LDB: ============= START OF LOAD BALANCING ============== 12500.2 LDB: ============== END OF LOAD BALANCING =============== 12500.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12500.2 LDB: ============= START OF LOAD BALANCING ============== 12500.6 LDB: Largest compute 7033 load 0.033323 is 17.0% of average load 0.195572 LDB: Average compute 0.004390 is 2.2% of average load 0.195572 LDB: TIME 12500.6 LOAD: AVG 0.195572 MAX 0.215641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 12500.6 LOAD: AVG 0.195572 MAX 0.215641 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.574 MB LDB: TIME 12500.6 LOAD: AVG 0.195572 MAX 0.215641 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.574 MB LDB: ============== END OF LOAD BALANCING =============== 12500.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12500.6 PRESSURE: 3848400 533.399 -222.982 -102.066 -222.983 -50.3637 5.94028 -102.066 5.93922 -67.408 GPRESSURE: 3848400 544.132 -122.941 -15.6369 -33.8806 -36.6409 26.0227 -128.288 15.908 -5.82692 PRESSAVG: 3848400 60.5639 9.89975 -0.626063 9.89974 -51.0888 32.0861 -0.626035 32.0861 10.9297 GPRESSAVG: 3848400 61.1027 8.27072 -0.173245 11.8778 -52.4009 31.6502 -0.561786 32.0826 11.6225 TIMING: 3848400 CPU: 12488.5, 0.00320651/step Wall: 12488.5, 0.00320651/step, 1.02573 hours remaining, 232.343750 MB of memory in use. ENERGY: 3848400 3977.8726 20441.0952 14424.3677 266.4392 -203542.9601 2782.8286 0.0000 0.0000 52202.4423 -109447.9145 300.0082 -161650.3568 -109084.4830 299.1761 138.5425 167.2214 760996.0840 6.8016 6.7748 PRESSURE: 3848600 345.65 -81.8603 -78.7552 -81.8604 -138.519 -49.9361 -78.756 -49.9354 -64.3754 GPRESSURE: 3848600 304.519 -150.167 -39.4399 -79.4065 -26.9993 -71.0845 17.1007 -24.1368 -57.7984 PRESSAVG: 3848600 95.2572 -14.4439 -31.8379 -14.4439 -83.4548 43.074 -31.8378 43.0741 -24.696 GPRESSAVG: 3848600 94.8785 -13.1383 -32.3312 -15.606 -82.4022 44.6122 -33.0455 41.8648 -25.0525 TIMING: 3848600 CPU: 12489.1, 0.0031171/step Wall: 12489.1, 0.0031171/step, 0.996953 hours remaining, 232.613281 MB of memory in use. ENERGY: 3848600 4024.8098 20527.4476 14446.2930 225.3809 -203137.6970 2435.5229 0.0000 0.0000 52204.4449 -109273.7978 300.0197 -161478.2428 -108910.2343 299.0820 47.5855 73.2405 761486.8365 -4.2979 -4.1921 PRESSURE: 3848800 164.215 78.0753 16.3245 78.0756 167.997 144.055 16.3235 144.056 305.985 GPRESSURE: 3848800 200.803 69.8212 29.7486 38.7567 256.349 70.2324 65.012 181.099 281.784 PRESSAVG: 3848800 48.4038 -32.8015 24.2787 -32.8014 -6.05372 26.3139 24.2787 26.3138 -1.79776 GPRESSAVG: 3848800 48.0674 -32.5169 23.2771 -31.6062 -5.14046 25.4278 25.0257 26.1207 -2.47187 TIMING: 3848800 CPU: 12489.7, 0.00313755/step Wall: 12489.7, 0.00313755/step, 1.00332 hours remaining, 232.613281 MB of memory in use. ENERGY: 3848800 3881.4042 20419.8638 14512.0900 250.3372 -203322.9403 2768.1787 0.0000 0.0000 52328.5935 -109162.4728 300.7331 -161491.0663 -108793.4921 299.6546 212.7323 246.3121 760863.0351 13.5174 13.4850 PRESSURE: 3849000 -11.3843 87.7138 -49.7541 87.7139 -433.492 66.4705 -49.7543 66.4706 -451.065 GPRESSURE: 3849000 -15.878 25.7621 -1.56247 83.9814 -397.843 118.31 -107.944 145.632 -382.865 PRESSAVG: 3849000 31.2483 8.1227 -9.77309 8.12265 -27.9884 -11.8449 -9.77306 -11.8449 21.5262 GPRESSAVG: 3849000 32.4527 8.42792 -8.911 4.85 -29.9808 -11.0862 -9.01169 -12.6958 22.3461 TIMING: 3849000 CPU: 12490.3, 0.00312677/step Wall: 12490.3, 0.00312677/step, 0.999699 hours remaining, 232.613281 MB of memory in use. ENERGY: 3849000 4151.1697 20430.7083 14469.1145 253.8471 -203268.7044 2576.7021 0.0000 0.0000 52176.7767 -109210.3861 299.8607 -161387.1628 -108852.4183 300.1837 -298.6472 -265.5288 762641.5055 8.2620 8.2727 PRESSURE: 3849200 -3.05138 66.9855 24.9104 66.9838 -243.056 147.258 24.9107 147.258 -33.6832 GPRESSURE: 3849200 127.555 92.6841 8.24953 23.2303 -225.223 130.347 75.0936 -90.969 -98.1538 PRESSAVG: 3849200 57.9014 -18.9158 18.163 -18.9158 -83.5548 43.2391 18.163 43.2391 17.6531 GPRESSAVG: 3849200 57.9829 -19.79 18.1396 -17.2161 -82.5868 43.2598 17.4555 44.7023 17.1586 TIMING: 3849200 CPU: 12491, 0.00313302/step Wall: 12491, 0.00313302/step, 1.00152 hours remaining, 232.613281 MB of memory in use. ENERGY: 3849200 3977.3339 20647.5054 14422.7888 249.9280 -203157.2506 2721.2616 0.0000 0.0000 52070.2943 -109068.1385 299.2487 -161138.4328 -108715.6088 299.8663 -93.2634 -65.2739 762527.7410 -2.6668 -2.4818 PRESSURE: 3849400 -292.701 28.6055 -258.365 28.6062 -112.684 -302.522 -258.365 -302.522 97.8629 GPRESSURE: 3849400 -327.705 15.9958 -176.939 74.8167 3.01467 -245.34 -264.789 -214.675 89.5157 PRESSAVG: 3849400 86.5929 -7.60975 22.7139 -7.60976 -41.8375 5.73062 22.714 5.73065 -4.57506 GPRESSAVG: 3849400 85.6362 -7.55604 23.6677 -6.3509 -40.6059 5.02292 22.5838 5.86005 -4.56767 TIMING: 3849400 CPU: 12491.6, 0.00312394/step Wall: 12491.6, 0.00312394/step, 0.998447 hours remaining, 232.613281 MB of memory in use. ENERGY: 3849400 4016.6271 20439.4945 14488.6173 242.6128 -203001.6223 2443.1527 0.0000 0.0000 52179.4227 -109191.6952 299.8759 -161371.1179 -108834.2551 299.8733 -102.5075 -78.3916 762535.8014 13.3934 13.4876 PRESSURE: 3849600 263.368 -35.1632 243.038 -35.1628 84.8623 12.3003 243.039 12.2994 67.0359 GPRESSURE: 3849600 306.499 -150.743 237.315 14.3451 153.758 -54.3668 250.025 82.1224 44.8745 PRESSAVG: 3849600 38.9808 -47.1425 -15.6038 -47.1425 -37.8337 -25.9309 -15.6038 -25.9309 -6.49475 GPRESSAVG: 3849600 39.6905 -48.4041 -17.1156 -47.5497 -37.5301 -25.2138 -12.7224 -27.5216 -7.6189 TIMING: 3849600 CPU: 12492.2, 0.00311071/step Wall: 12492.2, 0.00311071/step, 0.994044 hours remaining, 232.613281 MB of memory in use. ENERGY: 3849600 3966.2282 20638.7208 14431.6543 238.8600 -203628.2392 2906.3946 0.0000 0.0000 52263.0164 -109183.3649 300.3563 -161446.3813 -108822.4506 299.8578 138.4222 168.3770 761910.3541 -1.7825 -1.8195 PRESSURE: 3849800 -369.418 -38.1607 33.7995 -38.1604 -355.112 -36.5407 33.7987 -36.5406 68.8396 GPRESSURE: 3849800 -369.841 -3.0537 -6.94005 -25.6634 -346.662 -92.7347 -28.1462 107.011 139.529 PRESSAVG: 3849800 7.56237 -40.4021 96.7453 -40.4022 31.6142 -13.8835 96.7453 -13.8834 2.21277 GPRESSAVG: 3849800 6.01291 -40.1149 97.0614 -37.6995 31.487 -16.1187 94.2315 -14.2105 3.56112 TIMING: 3849800 CPU: 12492.8, 0.00310503/step Wall: 12492.8, 0.00310503/step, 0.992057 hours remaining, 232.613281 MB of memory in use. ENERGY: 3849800 3973.3490 20310.1431 14453.3197 231.7221 -202723.2893 2410.9566 0.0000 0.0000 51934.5350 -109409.2639 298.4685 -161343.7989 -109049.2904 299.8115 -218.5635 -192.3249 764050.3276 13.7965 13.6870 PRESSURE: 3850000 215.465 -319.587 -41.061 -319.587 320.276 257.302 -41.0614 257.303 177.598 GPRESSURE: 3850000 291.862 -237.847 -50.0481 -383.025 368.741 226.987 -29.1687 209.54 145.572 PRESSAVG: 3850000 7.13727 -48.2764 28.3245 -48.2763 -47.5862 -18.5773 28.3245 -18.5773 15.7638 GPRESSAVG: 3850000 7.70247 -47.1657 28.8939 -50.9205 -46.847 -16.0228 27.7069 -18.4591 14.3942 TIMING: 3850000 CPU: 12493.5, 0.00312027/step Wall: 12493.5, 0.00312027/step, 0.996754 hours remaining, 232.613281 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: 3850000 3962.1405 20283.8564 14346.8557 242.4739 -202933.2183 2671.8515 0.0000 0.0000 52185.4820 -109240.5584 299.9107 -161426.0404 -108879.3357 299.2307 237.7797 268.7250 762372.4921 -8.2284 -8.2501 PRESSURE: 3850200 -81.434 68.223 281.94 68.2232 -367.849 166.339 281.94 166.338 27.7732 GPRESSURE: 3850200 -9.08477 37.0127 182.745 39.9928 -311.596 152.712 241.403 70.4728 -4.4598 PRESSAVG: 3850200 -11.3383 -21.7095 43.2837 -21.7095 8.02016 -10.4373 43.2838 -10.4374 -27.4274 GPRESSAVG: 3850200 -11.8017 -21.2419 44.0468 -21.0625 7.07175 -11.0281 44.1253 -10.4243 -27.0983 TIMING: 3850200 CPU: 12494.1, 0.00309786/step Wall: 12494.1, 0.00309786/step, 0.989421 hours remaining, 232.613281 MB of memory in use. ENERGY: 3850200 3989.3476 20497.4635 14369.1100 239.3290 -203301.5746 2509.4660 0.0000 0.0000 52396.0392 -109300.8191 301.1208 -161696.8584 -108931.2136 299.1468 -140.5033 -108.3802 762131.7346 -10.2485 -10.6094 PRESSURE: 3850400 97.2397 -78.762 -219.684 -78.7623 -7.62486 103.933 -219.685 103.933 -223.775 GPRESSURE: 3850400 126.094 -124.433 -213.782 -11.8785 -10.5659 42.7207 -222.764 39.8221 -153.596 PRESSAVG: 3850400 23.8723 8.76446 -68.3136 8.76446 -35.2724 -9.06011 -68.3136 -9.06004 3.3064 GPRESSAVG: 3850400 23.9106 8.31099 -68.6981 7.24998 -35.3763 -9.12318 -66.7366 -9.69474 3.97351 TIMING: 3850400 CPU: 12494.7, 0.00312163/step Wall: 12494.7, 0.00312163/step, 0.99684 hours remaining, 232.613281 MB of memory in use. ENERGY: 3850400 4002.9330 20468.5110 14468.0530 238.3261 -202990.5080 2674.0434 0.0000 0.0000 52046.8923 -109091.7492 299.1142 -161138.6415 -108727.4991 299.6598 -44.7201 -12.6894 762691.0988 -2.6979 -2.4974 PRESSURE: 3850600 -91.3172 -64.2362 154.506 -64.2357 14.7601 37.1391 154.505 37.139 47.3089 GPRESSURE: 3850600 19.2901 -73.7608 114.831 -76.0999 15.3511 83.1409 89.3446 67.469 10.7457 PRESSAVG: 3850600 -5.93284 -39.7828 4.58792 -39.7828 14.2419 -13.3303 4.58792 -13.3303 0.0579847 GPRESSAVG: 3850600 -5.9305 -39.2971 3.36712 -40.0657 14.4188 -13.197 4.20619 -11.4269 -0.713996 TIMING: 3850600 CPU: 12495.3, 0.00313105/step Wall: 12495.3, 0.00313105/step, 0.999676 hours remaining, 232.613281 MB of memory in use. ENERGY: 3850600 3962.8069 20613.0277 14438.2261 226.3531 -202843.7537 2269.7079 0.0000 0.0000 52371.0638 -108962.5682 300.9772 -161333.6320 -108592.3545 300.2237 -9.7494 15.1290 761348.2832 2.7890 2.5914 PRESSURE: 3850800 146.86 84.7575 -34.8121 84.7577 -157.551 -0.172455 -34.8119 -0.172795 -118.728 GPRESSURE: 3850800 73.8015 48.7099 -54.706 12.4475 -103.004 79.8681 -53.8084 -103.337 -26.9014 PRESSAVG: 3850800 -42.7338 -2.16595 0.212535 -2.1659 26.2616 9.03222 0.212467 9.03217 0.602997 GPRESSAVG: 3850800 -42.3669 -2.26193 1.32151 -1.42194 25.7613 9.59268 0.706926 8.03545 1.15121 TIMING: 3850800 CPU: 12495.9, 0.00311175/step Wall: 12495.9, 0.00311175/step, 0.99334 hours remaining, 232.613281 MB of memory in use. ENERGY: 3850800 3992.8693 20446.4256 14443.1263 263.6775 -202626.2990 2357.8889 0.0000 0.0000 52004.1212 -109118.1903 298.8684 -161122.3115 -108756.7335 300.0845 -43.1397 -18.7011 763662.5014 -5.2897 -5.1515 PRESSURE: 3851000 -259.065 77.4854 19.0557 77.4845 -305.259 8.07909 19.0561 8.07954 -69.6551 GPRESSURE: 3851000 -244.091 145.755 37.9521 -48.5748 -240.141 -67.1222 30.5129 265.645 -68.9318 PRESSAVG: 3851000 -22.1125 25.8162 0.653878 25.8161 9.50708 10.3391 0.65385 10.3391 9.31763 GPRESSAVG: 3851000 -21.9976 24.2114 1.60703 28.377 10.036 8.71837 -0.0844279 9.85402 9.42771 TIMING: 3851000 CPU: 12496.6, 0.00310809/step Wall: 12496.6, 0.00310809/step, 0.991998 hours remaining, 232.613281 MB of memory in use. ENERGY: 3851000 3989.8295 20469.5449 14473.5010 238.5286 -202994.5133 2232.3738 0.0000 0.0000 52174.1719 -109416.5635 299.8457 -161590.7354 -109059.6415 299.3572 -211.3262 -184.3878 762632.2370 -1.0959 -0.8446 PRESSURE: 3851200 -31.2164 166.148 308.301 166.148 -11.2918 38.9089 308.3 38.9077 -106.625 GPRESSURE: 3851200 24.0213 99.1952 209.679 151.974 -33.3285 52.9835 305.57 54.928 -77.5804 PRESSAVG: 3851200 -32.0601 31.3507 4.66313 31.3507 28.3976 26.0876 4.66307 26.0877 8.74778 GPRESSAVG: 3851200 -31.8201 32.7479 3.48349 29.8498 28.0845 28.1584 5.38559 25.8809 8.69122 TIMING: 3851200 CPU: 12497.2, 0.00311594/step Wall: 12497.2, 0.00311594/step, 0.994333 hours remaining, 232.613281 MB of memory in use. ENERGY: 3851200 3978.0797 20645.6964 14497.8000 262.4493 -203134.1021 2433.1922 0.0000 0.0000 51841.6219 -109475.2626 297.9345 -161316.8845 -109111.0393 299.2605 -49.7112 -28.9625 761836.6303 1.6951 1.6519 PRESSURE: 3851400 25.8184 191.351 27.7297 191.352 -19.3313 242.85 27.7296 242.849 274.595 GPRESSURE: 3851400 -34.6345 218.989 -48.2352 197.341 58.1239 248.608 90.2899 167.301 340.446 PRESSAVG: 3851400 12.8449 -17.6378 -38.4928 -17.6378 25.6338 62.2242 -38.4928 62.2242 -10.6318 GPRESSAVG: 3851400 12.9378 -16.778 -37.8688 -17.5814 24.3097 60.3965 -37.8214 62.8081 -10.0872 TIMING: 3851400 CPU: 12497.8, 0.00310556/step Wall: 12497.8, 0.00310556/step, 0.990845 hours remaining, 232.613281 MB of memory in use. ENERGY: 3851400 3950.1324 20508.2033 14439.4037 255.0473 -203253.0429 2745.7773 0.0000 0.0000 52132.5901 -109221.8889 299.6067 -161354.4790 -108863.0431 299.5203 93.6939 121.3118 762329.8156 9.2823 9.0534 PRESSURE: 3851600 22.0826 -116.555 -53.4969 -116.555 175.041 339.084 -53.497 339.084 330.304 GPRESSURE: 3851600 93.4393 -14.837 -79.7035 -149.03 217.795 350.296 -75.4363 171.318 307.505 PRESSAVG: 3851600 -46.9866 19.1485 3.55576 19.1485 46.1513 13.1261 3.55581 13.126 29.4237 GPRESSAVG: 3851600 -46.2566 18.8528 4.05969 18.955 47.1498 12.1885 1.38227 14.1168 27.7581 TIMING: 3851600 CPU: 12498.4, 0.00311258/step Wall: 12498.4, 0.00311258/step, 0.992912 hours remaining, 232.613281 MB of memory in use. ENERGY: 3851600 3951.2633 20533.9167 14371.1633 245.4810 -202900.7832 2458.3014 0.0000 0.0000 52110.7923 -109229.8652 299.4814 -161340.6575 -108869.3341 299.3737 175.8092 206.2462 762500.8322 9.5295 9.5504 PRESSURE: 3851800 126.26 58.7789 131.859 58.7777 -101.958 38.1342 131.858 38.1344 -334.463 GPRESSURE: 3851800 128.046 8.36496 148.768 15.234 42.4189 104.777 140.829 7.20662 -385.353 PRESSAVG: 3851800 -60.4624 34.1173 14.0968 34.1173 15.2039 74.5313 14.0968 74.5313 -34.0341 GPRESSAVG: 3851800 -61.1674 32.8218 13.5833 33.183 14.2575 74.213 15.7668 74.4357 -33.0241 TIMING: 3851800 CPU: 12499.1, 0.0031042/step Wall: 12499.1, 0.0031042/step, 0.990067 hours remaining, 232.613281 MB of memory in use. ENERGY: 3851800 4004.9994 20344.7693 14483.0461 245.1905 -202927.8337 2509.0856 0.0000 0.0000 52224.9083 -109115.8344 300.1373 -161340.7427 -108747.1662 299.0016 -103.3870 -71.6294 763111.2017 -26.4309 -26.6447 PRESSURE: 3852000 33.5408 42.8724 -349.451 42.8725 -75.3035 -0.647179 -349.45 -0.64877 -145.029 GPRESSURE: 3852000 51.1545 50.833 -426.584 89.1797 -35.386 -29.0303 -243.719 36.7322 -119.544 PRESSAVG: 3852000 6.04129 47.3673 -21.3439 47.3673 -10.6677 -46.1364 -21.3439 -46.1364 1.34603 GPRESSAVG: 3852000 5.75937 49.0096 -18.9584 47.5621 -9.91603 -43.4346 -21.893 -47.4437 0.259684 TIMING: 3852000 CPU: 12499.7, 0.00311177/step Wall: 12499.7, 0.00311177/step, 0.99231 hours remaining, 232.613281 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: 3852000 4032.6876 20694.8662 14500.6503 228.4985 -203008.1329 2596.2161 0.0000 0.0000 51786.3670 -109168.8473 297.6170 -160955.2143 -108814.1123 299.7777 -62.2639 -34.5920 761096.7217 -1.0935 -1.2990 PRESSURE: 3852200 1.93243 115.841 143.386 115.842 -118.971 92.1743 143.386 92.1759 -198.855 GPRESSURE: 3852200 -8.23423 121.24 122.053 85.6836 -84.5298 37.1645 92.7023 141.899 -113.877 PRESSAVG: 3852200 -20.47 36.1165 12.8506 36.1165 -7.90784 -3.27688 12.8505 -3.27687 6.73058 GPRESSAVG: 3852200 -21.4995 35.4781 11.1211 36.7011 -7.29657 -4.1249 12.9149 -2.53906 6.59069 TIMING: 3852200 CPU: 12500.3, 0.00309846/step Wall: 12500.3, 0.00309846/step, 0.987891 hours remaining, 232.613281 MB of memory in use. ENERGY: 3852200 3975.4607 20462.1823 14484.6749 252.1656 -202734.8519 2088.4120 0.0000 0.0000 52420.3745 -109051.5820 301.2606 -161471.9565 -108684.3126 299.9095 -105.2977 -68.8803 761817.1168 -7.2157 -7.4018 LDB: ============= START OF LOAD BALANCING ============== 12512.7 LDB: ============== END OF LOAD BALANCING =============== 12512.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12512.7 LDB: ============= START OF LOAD BALANCING ============== 12513 LDB: Largest compute 7069 load 0.030497 is 15.6% of average load 0.195489 LDB: Average compute 0.004395 is 2.2% of average load 0.195489 LDB: TIME 12513 LOAD: AVG 0.195489 MAX 0.216719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.082 MB LDB: TIME 12513 LOAD: AVG 0.195489 MAX 0.216719 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: TIME 12513 LOAD: AVG 0.195489 MAX 0.216719 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: ============== END OF LOAD BALANCING =============== 12513 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12513 PRESSURE: 3852400 -145.576 17.4214 44.8371 17.4214 187.353 38.922 44.837 38.9225 208.46 GPRESSURE: 3852400 6.97708 106.028 11.1781 19.1518 145.504 38.4288 -38.526 -113.588 175.681 PRESSAVG: 3852400 32.591 25.9592 -37.0176 25.9592 -11.2021 -23.9421 -37.0177 -23.9421 17.2036 GPRESSAVG: 3852400 35.6605 27.4782 -35.823 25.9525 -12.6448 -24.0297 -37.4232 -27.1102 15.7954 TIMING: 3852400 CPU: 12500.9, 0.00318701/step Wall: 12500.9, 0.00318701/step, 1.01595 hours remaining, 235.625000 MB of memory in use. ENERGY: 3852400 3996.4339 20638.2356 14402.3437 276.3774 -203047.2403 2560.2232 0.0000 0.0000 52254.8964 -108918.7300 300.3096 -161173.6265 -108551.8512 300.7710 83.4124 109.3872 759908.0304 12.8642 12.9371 PRESSURE: 3852600 -86.7016 16.6356 65.1326 16.6353 279.05 -100.804 65.1331 -100.805 77.3283 GPRESSURE: 3852600 42.9359 -142.985 103.357 98.6548 249.868 8.5495 21.6781 -146.378 75.0445 PRESSAVG: 3852600 56.3791 25.4142 -10.7153 25.4142 -73.9336 -5.45785 -10.7152 -5.45789 12.4183 GPRESSAVG: 3852600 54.9956 25.3908 -11.0086 24.7374 -73.9544 -6.03923 -12.5966 -2.9268 13.2502 TIMING: 3852600 CPU: 12501.6, 0.00310656/step Wall: 12501.6, 0.00310656/step, 0.990131 hours remaining, 235.769531 MB of memory in use. ENERGY: 3852600 3986.3733 20597.8179 14393.6969 246.6151 -202862.4048 2283.5851 0.0000 0.0000 52366.6389 -108987.6776 300.9518 -161354.3165 -108632.2554 300.8843 89.8922 122.6162 761789.3093 -1.7120 -1.9029 PRESSURE: 3852800 -251.188 -102.744 192.7 -102.744 -461.295 94.3191 192.7 94.3196 -179.326 GPRESSURE: 3852800 -238.435 -100.598 149.066 -141.438 -358.923 59.4811 124.666 149.688 -205.095 PRESSAVG: 3852800 68.1038 -38.4612 27.805 -38.4611 -68.6 24.3678 27.8049 24.3677 8.82354 GPRESSAVG: 3852800 67.7942 -37.7873 26.4652 -39.2875 -67.6074 24.0733 30.6233 25.2274 8.02866 TIMING: 3852800 CPU: 12502.2, 0.00310141/step Wall: 12502.2, 0.00310141/step, 0.988315 hours remaining, 235.769531 MB of memory in use. ENERGY: 3852800 4073.9434 20460.7988 14485.2290 223.0663 -202870.4798 2435.6940 0.0000 0.0000 52186.2281 -109005.5201 299.9150 -161191.7482 -108640.2323 299.9989 -297.2695 -267.4843 762881.9941 2.7758 2.7385 PRESSURE: 3853000 -271.123 40.6664 72.2525 40.6662 -307.95 -44.269 72.252 -44.269 -44.1379 GPRESSURE: 3853000 -218.006 6.92841 37.2625 32.3883 -205.176 36.5409 131.956 -61.09 -112.753 PRESSAVG: 3853000 70.4308 34.1161 30.664 34.1161 -30.4616 1.63939 30.664 1.63941 -10.5682 GPRESSAVG: 3853000 71.3195 33.4248 29.7816 36.4187 -30.9794 3.92153 27.9385 -0.387121 -10.3201 TIMING: 3853000 CPU: 12502.8, 0.00309883/step Wall: 12502.8, 0.00309882/step, 0.98732 hours remaining, 235.769531 MB of memory in use. ENERGY: 3853000 3962.2533 20680.3137 14469.1271 238.5072 -202905.1145 2189.9823 0.0000 0.0000 52088.2631 -109276.6678 299.3520 -161364.9309 -108910.8689 300.0744 -207.7370 -178.6452 760479.0556 9.8003 10.0067 PRESSURE: 3853200 -211.599 45.1804 102.392 45.18 -163.432 -148.196 102.392 -148.197 236.378 GPRESSURE: 3853200 -287.474 -17.3888 15.1714 -9.23025 -69.9199 -138.773 117.639 -189.013 276.036 PRESSAVG: 3853200 -27.5288 5.67055 20.0474 5.67056 11.4529 2.73223 20.0474 2.73222 7.40249 GPRESSAVG: 3853200 -29.5514 3.9878 20.6733 2.1675 12.6139 -0.550997 22.178 5.09392 8.27747 TIMING: 3853200 CPU: 12503.4, 0.00310214/step Wall: 12503.4, 0.00310214/step, 0.988205 hours remaining, 235.769531 MB of memory in use. ENERGY: 3853200 3925.6326 20562.4021 14492.1565 262.7286 -202944.8091 2185.5774 0.0000 0.0000 52205.1264 -109311.1856 300.0236 -161516.3119 -108945.8136 299.6556 -46.2178 -27.1191 761660.1740 -2.8911 -2.8867 PRESSURE: 3853400 381.464 -95.5299 -318.904 -95.5305 157.412 140.896 -318.904 140.897 -149.591 GPRESSURE: 3853400 442.462 -179.677 -211.625 20.1656 196.699 196.65 -248.802 111.822 -156.819 PRESSAVG: 3853400 36.2012 -15.4365 4.7277 -15.4365 -19.8529 -58.2733 4.72774 -58.2734 13.1224 GPRESSAVG: 3853400 36.8903 -11.3126 6.17877 -14.2284 -20.9466 -56.4769 4.62803 -59.0899 13.8238 TIMING: 3853400 CPU: 12504, 0.00311939/step Wall: 12504, 0.00311939/step, 0.993526 hours remaining, 235.769531 MB of memory in use. ENERGY: 3853400 3978.8177 20437.4833 14517.8207 254.0394 -203432.5926 2799.1876 0.0000 0.0000 52366.5341 -109078.7098 300.9512 -161445.2439 -108710.8741 299.7490 129.7617 160.7808 760583.2301 9.8236 9.9225 PRESSURE: 3853600 147.763 70.0773 -116.923 70.0769 -229.68 195.049 -116.923 195.051 -6.95556 GPRESSURE: 3853600 188.724 -10.8881 -166.883 -78.061 -222.983 184.856 -49.1153 179.118 43.5597 PRESSAVG: 3853600 3.36242 -18.8152 54.4846 -18.8152 -31.2721 -11.1721 54.4846 -11.172 10.6653 GPRESSAVG: 3853600 3.06124 -22.9505 54.3072 -16.4297 -31.2774 -11.8395 56.8019 -10.4828 10.417 TIMING: 3853600 CPU: 12504.7, 0.00312794/step Wall: 12504.7, 0.00312794/step, 0.996076 hours remaining, 235.769531 MB of memory in use. ENERGY: 3853600 3915.6178 20590.1597 14483.7935 248.7879 -202812.6771 2214.6840 0.0000 0.0000 52313.7770 -109045.8572 300.6480 -161359.6342 -108674.9528 299.8383 -29.6241 3.1006 762304.3939 -5.7481 -5.9331 PRESSURE: 3853800 241.029 181.543 -1.80311 181.543 -217.514 270.91 -1.80295 270.909 111.877 GPRESSURE: 3853800 267.532 45.4898 -97.0506 239.333 -162.176 194.798 103.291 190.655 125.469 PRESSAVG: 3853800 16.5134 -23.1988 33.1452 -23.1988 -46.1609 -16.8149 33.1453 -16.8149 3.87387 GPRESSAVG: 3853800 16.7475 -22.5027 32.2067 -23.0808 -45.8573 -16.7252 29.4156 -17.0789 3.51956 TIMING: 3853800 CPU: 12505.3, 0.00312012/step Wall: 12505.3, 0.00312012/step, 0.993412 hours remaining, 235.769531 MB of memory in use. ENERGY: 3853800 4071.6806 20605.6752 14399.4341 245.7122 -203345.3293 2771.7819 0.0000 0.0000 52302.1000 -108948.9453 300.5809 -161251.0453 -108579.0283 299.8016 45.1307 76.9417 762181.5299 -8.5912 -8.5301 PRESSURE: 3854000 -96.7526 79.9343 -3.02954 79.9335 -174.877 -127.306 -3.03039 -127.306 -70.4389 GPRESSURE: 3854000 -10.2391 22.5568 -60.3577 127.229 -208.648 -37.5069 133.925 -108.567 -33.4338 PRESSAVG: 3854000 -6.64825 -17.6123 -6.38464 -17.6123 -26.8463 10.4502 -6.38459 10.4501 -16.7369 GPRESSAVG: 3854000 -6.60241 -15.6887 -7.3147 -18.6852 -28.1972 11.6215 -3.52746 9.49449 -15.6578 TIMING: 3854000 CPU: 12505.9, 0.00312525/step Wall: 12505.9, 0.00312525/step, 0.994871 hours remaining, 235.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3854000 4044.0323 20669.2849 14418.3869 235.0216 -202990.1997 2340.0134 0.0000 0.0000 52417.2577 -108866.2029 301.2427 -161283.4606 -108501.3910 300.6624 -114.0229 -84.1070 762792.2921 -16.7438 -16.8191 PRESSURE: 3854200 255.5 -181.014 118.479 -181.013 -73.5548 -139.865 118.479 -139.865 -337.884 GPRESSURE: 3854200 292.095 -71.8145 28.0984 -154.717 -9.06109 -142.509 173.517 -219.518 -348.885 PRESSAVG: 3854200 13.2772 -22.4348 16.1519 -22.4347 -32.5622 22.1373 16.1519 22.1374 -2.76203 GPRESSAVG: 3854200 13.3347 -23.6671 17.0226 -22.3358 -30.3523 22.7855 14.2054 22.4962 -4.20036 TIMING: 3854200 CPU: 12506.5, 0.00311418/step Wall: 12506.5, 0.00311418/step, 0.991173 hours remaining, 235.769531 MB of memory in use. ENERGY: 3854200 4018.6650 20471.3445 14389.4355 249.3812 -203360.8934 2717.0962 0.0000 0.0000 52281.9548 -109233.0163 300.4651 -161514.9711 -108867.3250 300.1654 -51.9796 -21.9503 762057.3994 -7.3490 -7.0726 PRESSURE: 3854400 -497.828 -126.99 143.811 -126.991 102.604 -210.455 143.812 -210.454 -55.1419 GPRESSURE: 3854400 -352.223 -80.6862 119.806 -143.43 145.507 -129.863 130.164 -154.36 -162.376 PRESSAVG: 3854400 18.8521 10.3329 32.6831 10.333 -33.5897 -38.7086 32.6831 -38.7087 24.7888 GPRESSAVG: 3854400 18.9081 10.6142 32.8583 10.8675 -33.5189 -40.3644 31.268 -39.2391 24.6732 TIMING: 3854400 CPU: 12507.2, 0.0031261/step Wall: 12507.2, 0.0031261/step, 0.994794 hours remaining, 235.769531 MB of memory in use. ENERGY: 3854400 3998.6872 20529.1486 14523.1318 266.4767 -203079.8704 2239.5735 0.0000 0.0000 52241.1284 -109281.7242 300.2305 -161522.8526 -108908.3411 299.2837 -150.1223 -123.0307 761674.3697 3.3504 3.3541 PRESSURE: 3854600 -124.398 78.353 39.424 78.3528 -223.299 -110.068 39.4239 -110.068 11.9077 GPRESSURE: 3854600 -92.9675 119.289 173.445 61.5645 -168.77 -101.134 45.9834 -48.8446 10.4449 PRESSAVG: 3854600 62.1509 20.2412 7.1841 20.2412 -23.2554 -10.0057 7.18408 -10.0057 0.847342 GPRESSAVG: 3854600 61.9526 20.0064 8.52033 19.717 -25.2319 -9.04376 8.30165 -10.2662 2.7831 TIMING: 3854600 CPU: 12507.8, 0.00312272/step Wall: 12507.8, 0.00312272/step, 0.993545 hours remaining, 235.769531 MB of memory in use. ENERGY: 3854600 3996.6008 20557.1243 14425.5180 251.7250 -203426.1121 2619.0112 0.0000 0.0000 52225.1148 -109351.0181 300.1385 -161576.1329 -108985.6478 299.8088 -111.9300 -83.7643 761089.2306 13.2476 13.1679 PRESSURE: 3854800 -227.619 -182.388 93.8105 -182.388 -108.508 -3.30687 93.8106 -3.30596 -182.495 GPRESSURE: 3854800 -117.513 -237.862 91.7021 -129.29 -142.415 -121.962 43.4464 225.487 -182.449 PRESSAVG: 3854800 -54.0376 -11.1231 -14.6597 -11.123 10.1248 -22.9226 -14.6597 -22.9226 15.6374 GPRESSAVG: 3854800 -53.9855 -10.0506 -15.0508 -11.181 10.6471 -24.1105 -14.767 -19.2292 15.061 TIMING: 3854800 CPU: 12508.4, 0.00313739/step Wall: 12508.4, 0.00313739/step, 0.998039 hours remaining, 235.769531 MB of memory in use. ENERGY: 3854800 4033.8447 20675.1127 14476.6443 254.5427 -203345.3718 2586.2303 0.0000 0.0000 51988.7014 -109330.2957 298.7798 -161318.9971 -108968.2300 299.8723 -172.8737 -147.4587 761583.9678 -9.4251 -9.4258 PRESSURE: 3855000 188.678 34.7109 -138.786 34.7111 -487.368 -5.16201 -138.786 -5.16111 -101.733 GPRESSURE: 3855000 179.708 127.362 -195.266 -46.5155 -408.511 -75.9693 -17.1846 -108.031 -101.024 PRESSAVG: 3855000 -17.7377 35.5801 3.49818 35.58 38.9681 -4.61108 3.49815 -4.61112 34.8294 GPRESSAVG: 3855000 -18.2314 34.1999 2.04223 35.393 39.2851 -3.49132 3.44619 -9.30895 34.6996 TIMING: 3855000 CPU: 12509, 0.00313049/step Wall: 12509, 0.00313049/step, 0.995669 hours remaining, 235.769531 MB of memory in use. ENERGY: 3855000 3983.4150 20645.5128 14460.1552 240.7207 -203498.7477 2606.4153 0.0000 0.0000 52240.5645 -109321.9642 300.2272 -161562.5287 -108966.7377 299.4946 -133.4743 -109.9422 760323.4985 18.6866 18.5844 PRESSURE: 3855200 -165.044 11.6377 450.89 11.6371 -2.3395 169.578 450.89 169.577 33.2885 GPRESSURE: 3855200 -157.884 33.2804 463.693 21.0014 53.6637 133.063 312.65 225.636 34.5084 PRESSAVG: 3855200 7.42271 4.61225 -0.468267 4.61229 -6.73557 1.69129 -0.468185 1.6912 -2.23786 GPRESSAVG: 3855200 7.93007 7.00337 -1.03879 3.21354 -6.88917 0.204918 -0.894444 4.31642 -2.3145 TIMING: 3855200 CPU: 12509.7, 0.0031181/step Wall: 12509.7, 0.0031181/step, 0.991556 hours remaining, 235.769531 MB of memory in use. ENERGY: 3855200 3953.4023 20736.7740 14516.0362 269.5208 -203597.7690 2806.5037 0.0000 0.0000 51974.2554 -109341.2766 298.6968 -161315.5320 -108974.5034 299.2909 -44.6982 -23.2374 761195.3738 -0.5169 -0.4245 PRESSURE: 3855400 -172.611 -60.0213 -173.368 -60.0209 -82.5244 101.519 -173.367 101.518 -328.014 GPRESSURE: 3855400 -241.895 20.0278 -181.634 -21.0515 60.3241 230.473 -136.581 128.849 -312.173 PRESSAVG: 3855400 77.9359 9.95116 14.9725 9.95113 -34.7921 -2.31119 14.9725 -2.31115 -1.0714 GPRESSAVG: 3855400 77.2713 8.10419 15.4309 11.1506 -34.662 -0.805245 15.5738 -6.25664 -0.524845 TIMING: 3855400 CPU: 12510.3, 0.00311973/step Wall: 12510.3, 0.00311973/step, 0.9919 hours remaining, 235.769531 MB of memory in use. ENERGY: 3855400 4051.7724 20525.5494 14478.6780 250.9766 -203339.2937 2350.9124 0.0000 0.0000 52180.9214 -109500.4834 299.8845 -161681.4049 -109137.0820 299.2576 -194.3832 -164.5812 759541.4560 14.0241 14.0282 PRESSURE: 3855600 248.518 -81.5048 -91.6175 -81.5054 -386.937 20.9197 -91.6174 20.9201 -275.554 GPRESSURE: 3855600 230.126 -128.504 11.7991 -79.8535 -348.623 18.9058 -105.323 11.9898 -206.925 PRESSAVG: 3855600 -4.11403 35.4596 -49.1974 35.4596 -25.2633 46.2085 -49.1974 46.2085 -2.18654 GPRESSAVG: 3855600 -4.54339 35.8986 -46.4594 34.6546 -24.9762 44.425 -48.4344 48.2124 -2.81562 TIMING: 3855600 CPU: 12510.9, 0.00311793/step Wall: 12510.9, 0.00311793/step, 0.991156 hours remaining, 235.769531 MB of memory in use. ENERGY: 3855600 4125.7812 20498.9828 14484.5938 246.3120 -203880.7797 2815.5650 0.0000 0.0000 52074.9859 -109634.5591 299.2757 -161709.5450 -109272.6835 299.1722 -137.9909 -108.4739 759113.7503 -10.5213 -10.7784 PRESSURE: 3855800 -370.745 276.224 -10.7964 276.225 -197.961 -15.4058 -10.7959 -15.4056 11.7582 GPRESSURE: 3855800 -263.289 231.997 -9.10019 218.744 -192.969 -74.297 -22.0541 16.4352 6.50743 PRESSAVG: 3855800 105.918 -24.6988 18.1895 -24.6988 -32.0268 29.7853 18.1895 29.7852 -4.77585 GPRESSAVG: 3855800 106.656 -24.4491 15.2728 -24.6018 -31.9672 31.3815 18.7967 29.2415 -5.27387 TIMING: 3855800 CPU: 12511.5, 0.00313779/step Wall: 12511.5, 0.00313779/step, 0.997294 hours remaining, 235.769531 MB of memory in use. ENERGY: 3855800 4022.3260 20627.2265 14414.4319 248.2077 -203788.3636 2664.8858 0.0000 0.0000 52315.7553 -109495.5305 300.6594 -161811.2857 -109133.0176 299.7622 -185.6493 -149.9170 759325.9512 23.0385 23.1384 PRESSURE: 3856000 -205.238 33.1813 -37.7429 33.1824 -141.093 97.7658 -37.7429 97.7663 -437.696 GPRESSURE: 3856000 -97.8161 63.1298 -53.0711 110.842 -141.364 56.1263 128.26 248.295 -470.378 PRESSAVG: 3856000 26.6015 -17.9588 26.5792 -17.9588 -40.5776 6.4218 26.5792 6.42185 -11.9103 GPRESSAVG: 3856000 27.7954 -17.2767 27.4156 -19.9904 -41.8649 5.39985 24.0704 6.91616 -12.0758 TIMING: 3856000 CPU: 12512.2, 0.00313665/step Wall: 12512.2, 0.00313665/step, 0.996759 hours remaining, 235.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3856000 4072.4689 20630.1416 14447.0571 278.6431 -203743.6788 2687.5448 0.0000 0.0000 51978.8222 -109649.0011 298.7230 -161627.8233 -109288.7275 299.4774 -261.3422 -236.5195 761851.5073 -8.6288 -8.7151 PRESSURE: 3856200 61.4528 100.505 66.7674 100.505 19.7777 -61.1571 66.7679 -61.157 217.329 GPRESSURE: 3856200 58.061 58.2366 77.2931 39.8915 33.8325 34.9477 -41.6267 -87.4574 280.678 PRESSAVG: 3856200 17.2112 -21.1943 14.6709 -21.1943 -11.9561 -2.50199 14.6709 -2.50205 -12.4084 GPRESSAVG: 3856200 17.0527 -21.7464 14.7499 -17.8071 -11.6314 -1.48245 15.1252 -4.00297 -12.4885 TIMING: 3856200 CPU: 12512.8, 0.00313089/step Wall: 12512.8, 0.00313089/step, 0.994752 hours remaining, 235.769531 MB of memory in use. ENERGY: 3856200 3926.2706 20645.2220 14429.9831 255.0346 -203882.4531 2902.3479 0.0000 0.0000 52136.5192 -109587.0757 299.6293 -161723.5948 -109233.8657 299.1725 99.5197 124.1904 761334.6732 -2.3844 -2.3557 LDB: ============= START OF LOAD BALANCING ============== 12525.2 LDB: ============== END OF LOAD BALANCING =============== 12525.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12525.2 LDB: ============= START OF LOAD BALANCING ============== 12525.5 LDB: Largest compute 7078 load 0.031577 is 16.2% of average load 0.195479 LDB: Average compute 0.004400 is 2.3% of average load 0.195479 LDB: TIME 12525.5 LOAD: AVG 0.195479 MAX 0.218885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.5 MB LDB: TIME 12525.5 LOAD: AVG 0.195479 MAX 0.218885 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.5 MB LDB: TIME 12525.5 LOAD: AVG 0.195479 MAX 0.218141 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.5 MB LDB: ============== END OF LOAD BALANCING =============== 12525.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12525.5 PRESSURE: 3856400 103.476 94.7766 126.448 94.7766 217.809 321.274 126.448 321.273 -252.047 GPRESSURE: 3856400 161.689 104.533 114.718 67.9108 133.07 255.326 38.3587 194.406 -151.338 PRESSAVG: 3856400 36.9042 -31.4041 -82.1934 -31.4041 -30.3731 -18.9891 -82.1934 -18.9891 2.75573 GPRESSAVG: 3856400 35.8986 -30.9036 -81.1966 -33.4208 -31.1334 -19.9358 -84.0825 -18.1384 4.53695 TIMING: 3856400 CPU: 12513.4, 0.00320425/step Wall: 12513.4, 0.00320425/step, 1.01788 hours remaining, 233.242188 MB of memory in use. ENERGY: 3856400 3997.4625 20577.8089 14338.0192 252.3838 -203274.6530 2415.3909 0.0000 0.0000 52038.5257 -109655.0621 299.0661 -161693.5877 -109288.0461 299.1818 23.0793 47.8071 761610.3080 3.0956 3.1007 PRESSURE: 3856600 -195.401 -72.2455 286.626 -72.2455 -30.6062 -170.868 286.625 -170.867 -518.958 GPRESSURE: 3856600 -136.417 -66.4278 157.916 -87.0861 -92.6513 -244.746 303.419 -91.7837 -445.063 PRESSAVG: 3856600 42.3582 -7.14884 14.8883 -7.14881 13.2665 -2.47395 14.8883 -2.47389 12.1845 GPRESSAVG: 3856600 42.3911 -7.27784 13.9994 -5.60949 14.3314 -1.49106 18.1992 -2.98207 11.9678 TIMING: 3856600 CPU: 12514.1, 0.00313777/step Wall: 12514.1, 0.00313777/step, 0.996589 hours remaining, 233.644531 MB of memory in use. ENERGY: 3856600 3973.6913 20684.4856 14466.3061 255.4432 -203397.7634 2595.2974 0.0000 0.0000 51968.5887 -109453.9512 298.6642 -161422.5399 -109092.7773 299.2572 -248.3220 -224.7107 762283.7459 22.6031 22.8968 PRESSURE: 3856800 50.0843 -69.7525 -172.146 -69.753 -376.9 -49.4893 -172.146 -49.4896 209.326 GPRESSURE: 3856800 -86.7684 -107.499 -112.917 19.735 -242.591 -0.962554 -286.377 -56.5148 294.18 PRESSAVG: 3856800 16.9195 -55.9989 -2.50946 -55.9989 -42.8576 7.72859 -2.50947 7.72853 -16.9313 GPRESSAVG: 3856800 17.2678 -56.2662 -2.02107 -57.051 -42.48 7.1362 -4.05045 9.09311 -17.6668 TIMING: 3856800 CPU: 12514.7, 0.00313369/step Wall: 12514.7, 0.00313369/step, 0.99512 hours remaining, 233.644531 MB of memory in use. ENERGY: 3856800 4014.7425 20612.9561 14473.9760 259.5391 -203722.1102 2769.4848 0.0000 0.0000 52167.5541 -109423.8578 299.8077 -161591.4118 -109060.2551 299.7683 -39.1632 -11.7264 761928.8871 -14.2898 -14.2930 PRESSURE: 3857000 197.403 -43.8526 -111.329 -43.852 70.5957 123.34 -111.33 123.341 261.759 GPRESSURE: 3857000 232.827 71.0887 -112.098 -57.7906 130.636 148.867 -67.2391 28.302 253.234 PRESSAVG: 3857000 47.6039 -40.1071 22.703 -40.1071 -6.47075 -17.9575 22.703 -17.9575 -18.7794 GPRESSAVG: 3857000 48.5867 -41.886 22.0692 -37.8604 -6.97583 -19.2502 21.3732 -17.8697 -18.7862 TIMING: 3857000 CPU: 12515.3, 0.00313111/step Wall: 12515.3, 0.00313111/step, 0.994129 hours remaining, 233.644531 MB of memory in use. ENERGY: 3857000 3939.6422 20721.9242 14520.2437 261.9469 -203624.0404 2759.1161 0.0000 0.0000 52014.4042 -109406.7631 298.9275 -161421.1674 -109055.2417 299.2028 176.5861 205.5657 762571.4140 7.4512 7.6082 PRESSURE: 3857200 152.721 -70.2876 -72.2165 -70.2878 -477.823 -187.286 -72.217 -187.286 -141.583 GPRESSURE: 3857200 235.364 50.7538 -185.644 -152.497 -453.228 -227.111 -4.30868 -161.29 -175.572 PRESSAVG: 3857200 24.4041 -101.092 61.9096 -101.092 -29.0873 -59.2994 61.9096 -59.2994 2.75321 GPRESSAVG: 3857200 24.5659 -98.2787 64.5893 -103.82 -29.9235 -57.7703 63.805 -60.2273 2.68011 TIMING: 3857200 CPU: 12515.9, 0.0031079/step Wall: 12515.9, 0.0031079/step, 0.986586 hours remaining, 233.644531 MB of memory in use. ENERGY: 3857200 4104.7186 20578.9909 14522.7274 253.0251 -203515.3474 2547.5832 0.0000 0.0000 51874.3707 -109633.9315 298.1227 -161508.3022 -109265.5957 299.4497 -155.5619 -131.1455 762508.2490 -0.6433 -0.8925 PRESSURE: 3857400 -61.3026 52.0619 -223.375 52.0613 -39.6738 -228.361 -223.375 -228.36 47.5083 GPRESSURE: 3857400 78.0594 82.1231 -104.064 -80.0734 -106.289 -281.543 -197.22 -193.718 59.2449 PRESSAVG: 3857400 16.411 -19.713 20.4318 -19.713 -31.7063 -28.475 20.4318 -28.475 13.351 GPRESSAVG: 3857400 15.918 -22.1419 18.2338 -19.1657 -31.0281 -29.1741 21.0631 -25.6654 13.6241 TIMING: 3857400 CPU: 12516.6, 0.00310042/step Wall: 12516.6, 0.00310042/step, 0.98404 hours remaining, 233.644531 MB of memory in use. ENERGY: 3857400 3917.4463 20774.8793 14387.3280 260.6186 -203467.8442 2494.4916 0.0000 0.0000 51891.1189 -109741.9615 298.2190 -161633.0804 -109384.4251 298.5089 -17.8227 10.3386 763798.2949 -0.6481 -0.4953 PRESSURE: 3857600 390.363 17.2962 0.736486 17.2963 137.808 -98.4127 0.736326 -98.4135 394.928 GPRESSURE: 3857600 370.842 -138.312 27.5126 22.9334 265.759 -24.6569 -140.614 -53.7102 379.541 PRESSAVG: 3857600 29.0462 -39.9898 -24.88 -39.9897 -3.54399 -22.3414 -24.8799 -22.3415 -17.9859 GPRESSAVG: 3857600 29.1663 -37.9282 -26.3945 -41.678 -2.68757 -21.5895 -25.5952 -25.2716 -18.2037 TIMING: 3857600 CPU: 12517.2, 0.00312425/step Wall: 12517.2, 0.00312425/step, 0.991428 hours remaining, 233.644531 MB of memory in use. ENERGY: 3857600 3872.4691 20551.5948 14413.1981 257.4665 -203587.6064 2622.8888 0.0000 0.0000 52077.8193 -109792.1699 299.2919 -161869.9892 -109426.5843 298.6254 307.6995 338.7137 761788.8815 2.5055 2.7583 PRESSURE: 3857800 -277.901 -35.4909 -33.0841 -35.4909 -211.601 260.638 -33.0845 260.637 49.9093 GPRESSURE: 3857800 -157.096 8.69269 84.9449 -87.0946 -237.962 169.473 -0.447387 161.181 92.5059 PRESSAVG: 3857800 69.17 11.2284 3.7834 11.2284 -24.621 6.34276 3.78333 6.34279 4.2148 GPRESSAVG: 3857800 69.787 12.9206 5.58923 9.81267 -25.9094 7.13502 4.68185 5.24203 4.68748 TIMING: 3857800 CPU: 12517.8, 0.00313426/step Wall: 12517.8, 0.00313426/step, 0.994431 hours remaining, 233.644531 MB of memory in use. ENERGY: 3857800 4063.5179 20284.4611 14472.3633 272.2506 -203392.6152 2573.5320 0.0000 0.0000 51902.0077 -109824.4826 298.2816 -161726.4903 -109445.3107 298.3932 -146.5308 -100.8506 762364.0035 16.2546 16.1883 PRESSURE: 3858000 -153.159 16.0534 244.393 16.0533 -343.947 -110.184 244.394 -110.185 383.246 GPRESSURE: 3858000 -83.1459 -119.142 203.372 27.3096 -222.64 -35.0398 158.896 42.1336 277.391 PRESSAVG: 3858000 86.5174 -46.7337 -36.2721 -46.7338 -56.1394 2.09218 -36.2721 2.09219 -0.416124 GPRESSAVG: 3858000 86.3769 -48.5405 -34.8197 -43.7239 -55.4509 0.490069 -37.3504 3.12913 -0.949677 TIMING: 3858000 CPU: 12518.4, 0.00312895/step Wall: 12518.4, 0.00312895/step, 0.992574 hours remaining, 233.644531 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: 3858000 4026.7086 20523.6913 14449.4551 245.1486 -203516.1733 2598.0454 0.0000 0.0000 51817.6537 -109855.4707 297.7968 -161673.1243 -109499.4005 298.5018 -37.9533 -9.4648 761028.5281 9.9873 9.9921 PRESSURE: 3858200 213.44 -152.129 63.2149 -152.129 -163.339 -47.3258 63.2159 -47.3254 -365.367 GPRESSURE: 3858200 251.843 -90.3131 72.72 -229.312 -118.727 -20.4069 121.728 -117.007 -375.665 PRESSAVG: 3858200 26.5356 -38.3828 -28.886 -38.3828 -17.5089 3.90236 -28.8859 3.9023 0.454282 GPRESSAVG: 3858200 26.0365 -38.6843 -28.7452 -36.4837 -16.0285 2.91005 -28.562 3.88069 -0.0308726 TIMING: 3858200 CPU: 12519.1, 0.00311593/step Wall: 12519.1, 0.00311593/step, 0.988268 hours remaining, 233.644531 MB of memory in use. ENERGY: 3858200 4084.7711 20486.9776 14544.8466 270.6012 -203674.6103 2667.5434 0.0000 0.0000 51665.5972 -109954.2732 296.9229 -161619.8704 -109603.9152 298.2102 -105.0888 -80.8500 760101.6556 3.1603 3.3257 PRESSURE: 3858400 -59.5739 -60.47 -63.851 -60.4704 275.699 90.1905 -63.8511 90.1901 -110.028 GPRESSURE: 3858400 17.0462 -64.987 -27.5562 -70.761 187.841 21.3447 -61.46 195.999 -12.0662 PRESSAVG: 3858400 -25.8291 -24.4283 -3.21745 -24.4283 34.163 17.3029 -3.21747 17.3029 -6.45682 GPRESSAVG: 3858400 -25.7836 -24.1693 -3.65792 -26.5065 32.6957 18.0635 -4.57296 18.9143 -5.6844 TIMING: 3858400 CPU: 12519.7, 0.00311574/step Wall: 12519.7, 0.00311574/step, 0.988036 hours remaining, 233.644531 MB of memory in use. ENERGY: 3858400 3984.0130 20527.9442 14417.9487 232.6162 -203943.0493 2787.5255 0.0000 0.0000 52170.0041 -109822.9976 299.8217 -161993.0017 -109445.4779 298.4568 35.3655 64.2738 762212.4364 0.6257 0.4092 PRESSURE: 3858600 -249.603 -49.5225 123.084 -49.5222 101.82 110.055 123.084 110.056 -335.25 GPRESSURE: 3858600 -183.704 -8.10204 179 -61.0734 48.8029 69.9387 56.3895 47.6085 -275.005 PRESSAVG: 3858600 34.8691 -0.415035 -27.8677 -0.415078 -69.9059 15.2176 -27.8677 15.2175 2.75125 GPRESSAVG: 3858600 34.9105 -0.679801 -28.0586 0.931821 -70.1234 15.0958 -26.749 12.7742 3.07507 TIMING: 3858600 CPU: 12520.3, 0.00311043/step Wall: 12520.3, 0.00311043/step, 0.98618 hours remaining, 233.644531 MB of memory in use. ENERGY: 3858600 4096.2021 20476.4348 14401.0628 234.3439 -203767.1140 2882.3629 0.0000 0.0000 51852.1100 -109824.5975 297.9948 -161676.7075 -109468.5117 298.1885 -161.0109 -136.6351 762928.6623 -10.7618 -10.7126 PRESSURE: 3858800 -65.0918 -291.015 -76.7242 -291.015 -272.646 365.969 -76.7245 365.97 -407.389 GPRESSURE: 3858800 -136.746 -346.501 -23.4825 -246.627 -133.104 449.362 -111.879 241.634 -387.541 PRESSAVG: 3858800 57.6011 -7.11994 -14.3508 -7.11999 -56.4536 48.4727 -14.3508 48.4726 -2.87427 GPRESSAVG: 3858800 58.014 -6.55162 -18.202 -6.33053 -55.9079 49.112 -12.3781 47.9046 -3.50148 TIMING: 3858800 CPU: 12520.9, 0.00311746/step Wall: 12520.9, 0.00311746/step, 0.988233 hours remaining, 233.644531 MB of memory in use. ENERGY: 3858800 4102.1388 20631.7745 14512.8319 245.0832 -203597.8294 2555.4377 0.0000 0.0000 51756.5132 -109794.0501 297.4454 -161550.5633 -109430.5343 298.7171 -248.3756 -219.1305 761333.3397 -0.5756 -0.4651 PRESSURE: 3859000 -30.9382 91.619 179.085 91.6197 -344.824 111.027 179.086 111.027 113.613 GPRESSURE: 3859000 -121.882 39.8481 146.085 41.3944 -243.26 98.226 98.702 82.0124 175.93 PRESSAVG: 3859000 57.179 2.04955 9.88891 2.04956 -90.8906 42.7022 9.88891 42.7022 -2.9891 GPRESSAVG: 3859000 57.3589 0.702393 14.4 1.08382 -90.7693 41.0604 6.80393 43.7576 -3.34744 TIMING: 3859000 CPU: 12521.5, 0.00311713/step Wall: 12521.5, 0.00311713/step, 0.987956 hours remaining, 233.644531 MB of memory in use. ENERGY: 3859000 4000.9323 20428.3868 14434.9948 257.0021 -203746.8014 2639.7556 0.0000 0.0000 52139.9662 -109845.7635 299.6491 -161985.7297 -109479.0104 298.2690 -87.3832 -63.0706 761301.5805 -12.2336 -12.2526 PRESSURE: 3859200 -61.1918 255.745 29.3742 255.745 27.7345 -26.3852 29.3746 -26.3861 -191.151 GPRESSURE: 3859200 -62.5796 215.911 -0.670283 241.922 114.407 -36.2026 84.0942 35.3767 -178.818 PRESSAVG: 3859200 12.5474 -6.76369 26.4283 -6.76367 -14.6581 61.2819 26.4283 61.2818 1.16445 GPRESSAVG: 3859200 12.0608 -5.50923 26.7076 -8.12533 -14.4812 62.1796 29.2363 59.0875 1.33717 TIMING: 3859200 CPU: 12522.2, 0.00313156/step Wall: 12522.2, 0.00313156/step, 0.992358 hours remaining, 233.644531 MB of memory in use. ENERGY: 3859200 3965.4066 20514.0023 14468.1107 238.3443 -203737.9016 2822.5688 0.0000 0.0000 51798.4123 -109931.0566 297.6862 -161729.4689 -109570.9329 298.6136 -74.8694 -42.3300 760480.2074 -0.3154 -0.3611 PRESSURE: 3859400 288.128 -183.23 -138.633 -183.231 15.6233 58.8385 -138.632 58.8384 -346.428 GPRESSURE: 3859400 312.13 -50.8567 -143.928 -97.058 54.8977 85.5896 21.6128 25.4484 -301.043 PRESSAVG: 3859400 55.4774 -26.5854 -15.5606 -26.5854 -41.1949 60.1216 -15.5606 60.1216 23.8485 GPRESSAVG: 3859400 56.1449 -25.4108 -16.1161 -25.6483 -42.4269 59.1172 -16.5625 60.9796 24.5367 TIMING: 3859400 CPU: 12522.8, 0.00313519/step Wall: 12522.8, 0.00313519/step, 0.993334 hours remaining, 233.644531 MB of memory in use. ENERGY: 3859400 3963.4824 20605.6064 14440.1486 245.0675 -203748.6877 2746.0758 0.0000 0.0000 52074.1606 -109674.1464 299.2709 -161748.3070 -109312.7681 298.4214 -14.2255 21.9952 761038.8524 12.7103 12.7516 PRESSURE: 3859600 -478.175 100.339 -119.442 100.339 243.191 84.7239 -119.443 84.7232 -141.781 GPRESSURE: 3859600 -372.583 38.585 -114.645 88.4704 313.623 -2.91518 -175.238 124.527 -221.716 PRESSAVG: 3859600 26.5696 -74.5749 -41.8763 -74.5749 -59.9976 3.75293 -41.8763 3.75293 -0.518773 GPRESSAVG: 3859600 27.3297 -76.8479 -43.0632 -74.7207 -60.1032 4.20045 -40.1363 3.54108 -0.904201 TIMING: 3859600 CPU: 12523.4, 0.00312501/step Wall: 12523.4, 0.00312501/step, 0.989935 hours remaining, 233.644531 MB of memory in use. ENERGY: 3859600 4051.8337 20412.8342 14415.1188 231.0836 -203592.1193 2575.9929 0.0000 0.0000 52189.5000 -109715.7560 299.9338 -161905.2561 -109346.1262 299.4905 -125.5886 -93.5587 759522.0290 -11.3156 -11.2259 PRESSURE: 3859800 301.244 -33.4737 8.42766 -33.4751 242.841 144.323 8.42728 144.324 354.007 GPRESSURE: 3859800 271.619 -48.127 -32.4212 -76.3509 281.479 127.753 -58.3218 116.221 449.662 PRESSAVG: 3859800 60.1603 9.359 -22.412 9.35899 -41.0788 -19.0808 -22.4119 -19.0807 -24.0367 GPRESSAVG: 3859800 59.153 10.7141 -20.1013 9.31548 -41.2134 -17.9651 -25.611 -19.3584 -22.342 TIMING: 3859800 CPU: 12524.1, 0.00313194/step Wall: 12524.1, 0.00313194/step, 0.991955 hours remaining, 233.644531 MB of memory in use. ENERGY: 3859800 3940.2643 20647.3499 14527.8492 260.9273 -203573.4250 2788.7234 0.0000 0.0000 51790.2829 -109618.0281 297.6395 -161408.3109 -109254.6438 299.0729 299.3640 334.2533 761949.7514 -1.6517 -1.4675 PRESSURE: 3860000 65.0134 60.8054 -84.9286 60.806 -39.9135 58.6761 -84.9284 58.6763 255.994 GPRESSURE: 3860000 137.1 10.3734 -56.1798 145.185 -46.5734 150.594 -37.0722 83.6189 253.465 PRESSAVG: 3860000 26.1455 -24.8818 -8.44223 -24.8818 -27.7426 21.6913 -8.44222 21.6912 -9.2479 GPRESSAVG: 3860000 26.3608 -24.0912 -8.15822 -23.9953 -27.6948 21.4268 -8.05723 22.6478 -9.86 TIMING: 3860000 CPU: 12524.7, 0.00313766/step Wall: 12524.7, 0.00313766/step, 0.993593 hours remaining, 233.644531 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: 3860000 3964.3471 20672.4205 14493.9970 231.7766 -203877.2090 2772.8970 0.0000 0.0000 51976.0639 -109765.7069 298.7072 -161741.7708 -109403.2496 298.7606 93.6980 114.6638 761117.4173 -3.6150 -3.7313 PRESSURE: 3860200 239.497 85.9102 -0.0595864 85.9109 11.4691 57.4836 -0.0594062 57.4837 27.6859 GPRESSURE: 3860200 273.143 185.562 -21.7155 173.617 0.0411182 44.1859 -41.6895 84.0224 89.7368 PRESSAVG: 3860200 13.074 1.04674 -33.1709 1.0468 16.9355 14.6864 -33.1708 14.6863 4.94595 GPRESSAVG: 3860200 12.6278 1.79364 -34.7579 0.233945 17.9272 15.7146 -31.8062 13.9292 4.63053 TIMING: 3860200 CPU: 12525.3, 0.00312168/step Wall: 12525.3, 0.00312168/step, 0.988358 hours remaining, 233.644531 MB of memory in use. ENERGY: 3860200 4005.8657 20504.4434 14472.8960 238.2335 -204297.5156 3071.8570 0.0000 0.0000 52021.6665 -109982.5534 298.9692 -162004.2200 -109629.1809 298.6754 92.8841 120.9735 760788.5745 11.6518 11.7285 LDB: ============= START OF LOAD BALANCING ============== 12537.7 LDB: ============== END OF LOAD BALANCING =============== 12537.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12537.7 LDB: ============= START OF LOAD BALANCING ============== 12538 LDB: Largest compute 7069 load 0.030527 is 15.6% of average load 0.195596 LDB: Average compute 0.004397 is 2.2% of average load 0.195596 LDB: TIME 12538 LOAD: AVG 0.195596 MAX 0.216322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.531 MB LDB: TIME 12538 LOAD: AVG 0.195596 MAX 0.216322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.598 MB LDB: TIME 12538 LOAD: AVG 0.195596 MAX 0.216322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.598 MB LDB: ============== END OF LOAD BALANCING =============== 12538 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12538 PRESSURE: 3860400 107.439 -210.763 -229.178 -210.763 158.938 124.311 -229.178 124.31 -42.6634 GPRESSURE: 3860400 94.0487 -205.087 -159.974 -112.906 194.278 174.241 -137.633 63.7414 32.3453 PRESSAVG: 3860400 -51.3758 -27.5382 -27.1148 -27.5383 39.8891 21.6321 -27.1148 21.6321 37.0357 GPRESSAVG: 3860400 -51.0334 -27.8538 -27.1535 -26.938 39.4091 21.5226 -29.1228 22.2977 37.3854 TIMING: 3860400 CPU: 12525.9, 0.00319391/step Wall: 12525.9, 0.00319391/step, 1.01105 hours remaining, 234.339844 MB of memory in use. ENERGY: 3860400 3972.0077 20438.6555 14492.0067 253.8146 -203563.6059 2705.9924 0.0000 0.0000 51763.8774 -109937.2516 297.4877 -161701.1290 -109574.9033 298.8297 74.5710 106.8905 760345.6417 8.5164 8.5870 PRESSURE: 3860600 -146.672 -179.108 216.607 -179.107 -330.961 214.378 216.608 214.376 -310.16 GPRESSURE: 3860600 -133.718 -92.4586 273.142 -117.439 -291.192 202.486 218.385 125.876 -292.51 PRESSAVG: 3860600 -1.91016 -19.8345 -8.21153 -19.8346 -11.4955 24.9739 -8.21155 24.9739 -17.2039 GPRESSAVG: 3860600 -0.970804 -21.0794 -7.63944 -19.7872 -12.7086 23.8826 -5.23647 24.8316 -16.96 TIMING: 3860600 CPU: 12526.6, 0.003129/step Wall: 12526.6, 0.003129/step, 0.990329 hours remaining, 234.542969 MB of memory in use. ENERGY: 3860600 3966.9111 20440.4603 14465.9083 264.9474 -203508.4169 2398.2228 0.0000 0.0000 51862.7662 -110109.2009 298.0560 -161971.9671 -109741.6389 297.6935 -262.5978 -239.1398 762787.0431 -10.2032 -10.2131 PRESSURE: 3860800 531.273 105.014 25.1264 105.014 -36.0197 180.417 25.1262 180.417 308.272 GPRESSURE: 3860800 469.691 9.6054 37.9346 101.357 121.897 176.439 89.7053 309.466 326.949 PRESSAVG: 3860800 86.2662 -2.86224 -32.8089 -2.86221 -109.096 20.8793 -32.8089 20.8794 -2.69631 GPRESSAVG: 3860800 84.3953 -5.58453 -32.0469 -1.77767 -107.224 20.6739 -35.6185 19.7251 -2.77262 TIMING: 3860800 CPU: 12527.2, 0.00311477/step Wall: 12527.2, 0.00311477/step, 0.985653 hours remaining, 234.542969 MB of memory in use. ENERGY: 3860800 3998.9558 20506.1297 14488.9638 252.1395 -203945.9908 2812.5366 0.0000 0.0000 51982.9923 -109904.2731 298.7470 -161887.2654 -109541.0403 298.1266 267.8418 306.1793 759417.1271 -8.5086 -8.5337 PRESSURE: 3861000 -246.444 134.185 -210.991 134.185 -35.5694 -210.183 -210.992 -210.183 307.885 GPRESSURE: 3861000 -182.958 71.7208 -175.625 31.5082 32.1139 -223.546 -213.888 -243.666 236.368 PRESSAVG: 3861000 81.3671 -27.8244 -40.6849 -27.8244 27.49 15.5704 -40.685 15.5704 -2.62532 GPRESSAVG: 3861000 82.0855 -24.4337 -41.6013 -30.2419 26.6398 16.9137 -41.1807 16.2993 -2.41114 TIMING: 3861000 CPU: 12527.8, 0.00311116/step Wall: 12527.8, 0.00311116/step, 0.984336 hours remaining, 234.542969 MB of memory in use. ENERGY: 3861000 4031.2395 20716.1675 14530.6668 244.8824 -203831.0399 2728.6597 0.0000 0.0000 51665.7024 -109913.7215 296.9235 -161579.4239 -109549.2502 298.1399 8.6241 28.5080 759020.0685 35.4106 35.4381 PRESSURE: 3861200 228.362 200.276 -150.474 200.277 -74.8631 25.222 -150.474 25.2226 215.015 GPRESSURE: 3861200 153.956 204.525 -102.658 187.702 57.5971 -3.08612 -4.40303 -18.7233 251.238 PRESSAVG: 3861200 -52.5148 24.4435 -10.351 24.4435 3.14496 -38.0153 -10.351 -38.0152 -9.32276 GPRESSAVG: 3861200 -51.5084 24.2725 -9.05633 24.565 3.05668 -38.5687 -9.9239 -37.4315 -10.4376 TIMING: 3861200 CPU: 12528.4, 0.00312133/step Wall: 12528.4, 0.00312133/step, 0.98738 hours remaining, 234.542969 MB of memory in use. ENERGY: 3861200 4001.1138 20535.3754 14470.0482 232.3990 -203917.2807 2830.7764 0.0000 0.0000 52018.2552 -109829.3127 298.9496 -161847.5679 -109459.3602 298.6275 122.8381 154.2637 759804.6069 -19.5642 -19.6298 PRESSURE: 3861400 -439.766 69.8171 -119.569 69.8168 -565.513 -30.6096 -119.569 -30.6104 -74.0715 GPRESSURE: 3861400 -430.211 96.7547 -81.3226 139.854 -517.627 -79.2144 -215.179 23.8895 -23.0546 PRESSAVG: 3861400 10.1477 -53.9572 -27.8084 -53.9572 -6.26636 15.1438 -27.8084 15.1438 30.5772 GPRESSAVG: 3861400 10.7236 -54.8761 -28.1648 -54.5187 -6.82962 13.471 -26.0809 15.2619 31.0046 TIMING: 3861400 CPU: 12529.1, 0.00311901/step Wall: 12529.1, 0.00311901/step, 0.986472 hours remaining, 234.542969 MB of memory in use. ENERGY: 3861400 4023.9198 20445.1530 14434.4257 255.8785 -203534.3041 2695.2721 0.0000 0.0000 51843.6841 -109835.9708 297.9464 -161679.6550 -109465.9741 298.4702 -359.7834 -323.6307 761528.5742 11.4862 11.6329 PRESSURE: 3861600 -168.261 -9.12492 -50.2613 -9.12554 158.855 201.95 -50.2613 201.949 -142.678 GPRESSURE: 3861600 -135.11 -0.597745 -15.632 -62.8962 120.808 275.974 -0.307266 96.9404 -55.6492 PRESSAVG: 3861600 22.545 -25.2887 -41.1135 -25.2887 0.894592 -36.1564 -41.1135 -36.1564 15.5399 GPRESSAVG: 3861600 21.7869 -23.9065 -39.8782 -23.959 -0.643311 -34.8059 -43.8192 -36.1218 17.3443 TIMING: 3861600 CPU: 12529.7, 0.00313264/step Wall: 12529.7, 0.00313264/step, 0.990609 hours remaining, 234.542969 MB of memory in use. ENERGY: 3861600 4001.1695 20610.0551 14413.0916 240.4714 -203032.8461 2366.1582 0.0000 0.0000 52030.2165 -109371.6839 299.0184 -161401.9004 -109013.1826 299.2062 -50.6947 -23.3170 762853.0132 12.9932 12.8293 PRESSURE: 3861800 -179.971 -124.925 171.277 -124.924 345.825 -14.2771 171.277 -14.2777 -283.169 GPRESSURE: 3861800 -61.4388 -238.1 100.556 -87.0575 324.477 15.1429 254.237 -143.728 -270.756 PRESSAVG: 3861800 -26.4026 -36.5319 1.17122 -36.5319 29.7086 -4.11442 1.17124 -4.11451 9.45623 GPRESSAVG: 3861800 -26.7777 -36.9559 -1.1419 -37.565 30.7163 -3.53203 4.34456 -2.76293 8.87964 TIMING: 3861800 CPU: 12530.3, 0.00313109/step Wall: 12530.3, 0.00313109/step, 0.989945 hours remaining, 234.683594 MB of memory in use. ENERGY: 3861800 4045.7846 20472.8369 14442.7371 273.8735 -203706.9090 2764.1736 0.0000 0.0000 52181.3601 -109526.1432 299.8870 -161707.5033 -109165.1909 299.2228 -39.1049 -2.5725 761607.8591 4.2541 4.2727 PRESSURE: 3862000 -138.33 -67.4561 8.62643 -67.4559 -664.397 27.4431 8.62611 27.4426 -171.098 GPRESSURE: 3862000 -170.772 -18.688 18.6112 -56.9802 -595.769 139.193 -70.9718 -85.1763 -139.78 PRESSAVG: 3862000 -34.4574 -37.7879 18.8531 -37.7879 -8.31366 -29.7226 18.8532 -29.7227 -0.90103 GPRESSAVG: 3862000 -33.886 -36.6124 17.6136 -38.7958 -7.7312 -29.682 17.4809 -31.0766 -2.00806 TIMING: 3862000 CPU: 12530.9, 0.0031236/step Wall: 12530.9, 0.0031236/step, 0.987404 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3862000 4013.3538 20581.8696 14487.5341 260.3377 -203731.0339 2425.3658 0.0000 0.0000 52092.7503 -109869.8225 299.3778 -161962.5729 -109516.7696 298.7614 -324.6084 -302.1070 760619.4682 -14.5574 -14.5417 PRESSURE: 3862200 146.423 36.8106 -73.5438 36.8106 173.816 -118.685 -73.5435 -118.684 -173.488 GPRESSURE: 3862200 170.472 70.9781 -77.3068 11.0634 211.642 -75.6388 -168.812 -102.791 -159.44 PRESSAVG: 3862200 8.93001 -30.8673 -14.7918 -30.8673 30.9077 -32.0099 -14.7917 -32.0099 -11.1951 GPRESSAVG: 3862200 8.66236 -32.9233 -13.9806 -30.3354 30.037 -32.984 -14.5502 -31.8762 -9.88654 TIMING: 3862200 CPU: 12531.6, 0.00313154/step Wall: 12531.6, 0.00313154/step, 0.989741 hours remaining, 234.683594 MB of memory in use. ENERGY: 3862200 4005.6083 20645.6736 14405.8412 241.2929 -203936.3446 2891.1011 0.0000 0.0000 51812.9595 -109933.8680 297.7698 -161746.8276 -109575.8549 298.6832 48.9169 74.2245 761746.0454 9.5476 9.6043 PRESSURE: 3862400 44.8059 82.7797 -103.527 82.7787 370.176 -45.6734 -103.529 -45.6739 -66.9614 GPRESSURE: 3862400 204.687 21.446 -74.6956 107.997 268.165 -50.3979 -48.8362 -101.565 -23.0023 PRESSAVG: 3862400 15.8733 34.337 -100.162 34.337 -22.3942 89.536 -100.162 89.5361 -3.61395 GPRESSAVG: 3862400 16.45 34.4525 -98.4784 34.5158 -21.9622 89.5803 -101.453 89.1171 -3.75075 TIMING: 3862400 CPU: 12532.2, 0.00313408/step Wall: 12532.2, 0.00313408/step, 0.99037 hours remaining, 234.683594 MB of memory in use. ENERGY: 3862400 3982.8296 20612.2960 14486.6347 257.0878 -203431.6275 2554.6468 0.0000 0.0000 51645.2355 -109892.8973 296.8059 -161538.1328 -109535.1051 297.8248 116.0069 149.9500 762709.3940 -3.3783 -3.0876 PRESSURE: 3862600 172.944 -195.627 94.5514 -195.627 -30.4131 47.4154 94.5517 47.4154 -125.427 GPRESSURE: 3862600 175.052 -134.188 63.1511 -97.2248 79.9182 9.86689 43.3528 38.459 -151.57 PRESSAVG: 3862600 21.533 19.4732 -28.208 19.4732 -70.32 -2.9607 -28.208 -2.96073 2.12166 GPRESSAVG: 3862600 19.5844 20.5397 -30.4798 20.9548 -68.6149 -2.41906 -29.0805 -2.56121 2.22536 TIMING: 3862600 CPU: 12532.8, 0.00312371/step Wall: 12532.8, 0.00312371/step, 0.986918 hours remaining, 234.683594 MB of memory in use. ENERGY: 3862600 4008.9502 20698.9000 14475.3919 240.7916 -204435.2502 2909.9960 0.0000 0.0000 52034.3476 -110066.8729 299.0421 -162101.2205 -109708.9435 298.0163 5.7014 34.4667 762104.9362 -15.5551 -15.6017 PRESSURE: 3862800 280.333 -25.8713 -82.7804 -25.871 23.3093 45.9389 -82.7807 45.9379 412.547 GPRESSURE: 3862800 236.855 -31.3806 -28.1529 -133.892 139.43 98.395 51.1184 5.95865 431.491 PRESSAVG: 3862800 3.48366 29.2148 -31.9099 29.2148 -44.1899 -52.7098 -31.91 -52.7098 17.7276 GPRESSAVG: 3862800 5.10857 30.4691 -31.2338 26.755 -45.6513 -53.4258 -29.3553 -52.8373 16.9584 TIMING: 3862800 CPU: 12533.4, 0.0031365/step Wall: 12533.4, 0.0031365/step, 0.990785 hours remaining, 234.683594 MB of memory in use. ENERGY: 3862800 3913.4817 20487.2931 14530.8918 252.1521 -204123.5410 2880.0499 0.0000 0.0000 51956.4018 -110103.2707 298.5942 -162059.6725 -109749.4296 298.4881 238.7300 269.2589 761615.3951 -7.6596 -7.8615 PRESSURE: 3863000 219.508 -20.552 -115.955 -20.553 48.4644 -51.6336 -115.955 -51.6325 33.8748 GPRESSURE: 3863000 237.04 15.0418 -112.704 25.7076 -27.6154 -69.8147 -108.491 25.9346 168.689 PRESSAVG: 3863000 63.1957 22.4903 11.9738 22.4902 -44.5925 -28.2421 11.9737 -28.2421 -3.49013 GPRESSAVG: 3863000 62.1936 19.0769 12.7689 24.5505 -44.2505 -29.3707 11.9395 -28.2706 -2.52716 TIMING: 3863000 CPU: 12534.1, 0.00313595/step Wall: 12534.1, 0.00313595/step, 0.990439 hours remaining, 234.683594 MB of memory in use. ENERGY: 3863000 3952.0104 20629.0421 14424.9238 242.6977 -203279.7784 2518.9224 0.0000 0.0000 51871.8884 -109640.2936 298.1085 -161512.1820 -109285.5845 298.1712 100.6158 126.0379 761819.8743 5.0377 5.1387 PRESSURE: 3863200 -19.6521 109.941 153.643 109.941 -408.064 334.589 153.643 334.589 378.043 GPRESSURE: 3863200 6.62916 34.9035 163.627 111.539 -303.506 326.392 152.005 267.552 344.912 PRESSAVG: 3863200 96.7148 1.86055 -46.4744 1.8606 -72.9529 -33.8309 -46.4744 -33.8309 2.69294 GPRESSAVG: 3863200 97.3519 3.83766 -46.5408 3.16488 -72.9782 -32.1529 -47.715 -34.1651 1.94978 TIMING: 3863200 CPU: 12534.7, 0.00313629/step Wall: 12534.7, 0.00313629/step, 0.990372 hours remaining, 234.683594 MB of memory in use. ENERGY: 3863200 4003.8013 20479.5528 14442.8442 241.6763 -203321.1271 2535.2880 0.0000 0.0000 52011.0745 -109606.8901 298.9084 -161617.9646 -109246.1757 298.9432 -16.5575 16.0118 760711.3657 8.8183 8.7745 PRESSURE: 3863400 240.069 171.225 55.755 171.226 -62.1656 -438.491 55.7557 -438.491 89.2925 GPRESSURE: 3863400 337.097 67.9071 66.2303 89.7149 -126.429 -482.366 25.5051 -362.929 137.085 PRESSAVG: 3863400 26.0041 11.9752 32.3062 11.9752 -32.4791 -8.12937 32.3062 -8.12934 -9.71747 GPRESSAVG: 3863400 24.8488 12.0791 30.7288 10.1837 -32.1965 -6.95552 32.979 -9.75251 -8.84868 TIMING: 3863400 CPU: 12535.3, 0.00312292/step Wall: 12535.3, 0.00312292/step, 0.985974 hours remaining, 234.683594 MB of memory in use. ENERGY: 3863400 3994.5620 20650.1687 14476.9237 230.4621 -203472.9820 2615.6800 0.0000 0.0000 51951.6683 -109553.5172 298.5670 -161505.1854 -109194.9342 298.8564 89.0652 115.9177 761099.2335 -5.3975 -5.3988 PRESSURE: 3863600 -21.2194 -136.297 -166.298 -136.297 -371.902 112.178 -166.298 112.178 -70.1865 GPRESSURE: 3863600 13.6386 0.413032 -107.399 -152.123 -366.095 191.938 -118.68 70.2308 -9.43799 PRESSAVG: 3863600 49.4743 -43.4287 -8.96496 -43.4287 -71.1848 -1.45538 -8.96499 -1.45537 7.04703 GPRESSAVG: 3863600 49.6321 -42.7891 -6.62224 -43.9276 -71.7048 -2.85522 -10.4067 -0.914611 6.63058 TIMING: 3863600 CPU: 12536, 0.00314649/step Wall: 12536, 0.00314649/step, 0.993243 hours remaining, 234.683594 MB of memory in use. ENERGY: 3863600 3989.1730 20607.6476 14518.3297 243.0882 -203406.8624 2590.9522 0.0000 0.0000 51802.0152 -109655.6566 297.7069 -161457.6718 -109284.4853 298.9325 -154.4359 -120.6314 762895.2723 -4.8878 -5.1474 PRESSURE: 3863800 29.0198 -16.5541 -124.048 -16.5539 -171.529 -59.4416 -124.048 -59.4417 -166.799 GPRESSURE: 3863800 125.98 -59.3262 -134.446 -160.89 -244.097 -168.328 77.4914 -167.835 -109.513 PRESSAVG: 3863800 47.7249 -1.12752 -22.7236 -1.12752 -35.0963 -12.5208 -22.7235 -12.5208 -11.2842 GPRESSAVG: 3863800 49.0452 -0.547834 -23.3011 -1.70925 -35.3666 -13.7326 -22.3893 -10.9577 -11.5831 TIMING: 3863800 CPU: 12536.6, 0.00312593/step Wall: 12536.6, 0.00312593/step, 0.986579 hours remaining, 234.683594 MB of memory in use. ENERGY: 3863800 4001.1297 20573.0033 14527.6116 231.8278 -203224.2537 2408.9310 0.0000 0.0000 51932.4722 -109549.2781 298.4566 -161481.7503 -109190.8498 298.7232 -103.1028 -75.8766 764170.3237 0.4481 0.6985 PRESSURE: 3864000 -60.6323 192.088 -26.4256 192.089 -220.702 9.1967 -26.4252 9.19571 -394.127 GPRESSURE: 3864000 41.8578 188.818 -83.1791 192.094 -199.101 15.6239 -5.97855 4.50257 -417.234 PRESSAVG: 3864000 19.0822 19.7076 -19.5163 19.7075 -17.3346 -30.145 -19.5163 -30.1449 -4.02933 GPRESSAVG: 3864000 19.22 18.9457 -20.5718 20.2951 -17.6541 -29.1769 -18.6682 -31.0869 -4.6136 TIMING: 3864000 CPU: 12537.2, 0.00311599/step Wall: 12537.2, 0.00311599/step, 0.983269 hours remaining, 234.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3864000 3980.9583 20366.7527 14530.4581 267.2847 -203170.0215 2406.0720 0.0000 0.0000 51980.4670 -109638.0286 298.7325 -161618.4956 -109275.1172 298.8300 -225.1540 -191.4925 762565.0280 -0.7605 -1.0159 PRESSURE: 3864200 -114.861 5.2907 95.3166 5.29137 -149.7 -79.1986 95.3155 -79.1988 543.818 GPRESSURE: 3864200 -27.9959 120.425 52.9188 21.4784 -162.32 7.12349 -75.9932 36.8898 571.312 PRESSAVG: 3864200 19.8669 -0.632725 -13.0526 -0.632731 -34.9441 -3.20632 -13.0526 -3.20636 7.06675 GPRESSAVG: 3864200 19.2748 -0.558266 -12.6195 -0.627308 -35.4658 -2.55099 -13.5004 -2.33987 8.9142 TIMING: 3864200 CPU: 12537.8, 0.00312637/step Wall: 12537.8, 0.00312637/step, 0.986369 hours remaining, 234.683594 MB of memory in use. ENERGY: 3864200 3940.9178 20565.3624 14472.7916 256.1731 -203267.8311 2535.6100 0.0000 0.0000 51747.5234 -109749.4528 297.3937 -161496.9762 -109388.2991 298.7692 93.0857 126.9989 762099.9673 -2.6702 -2.4256 LDB: ============= START OF LOAD BALANCING ============== 12550.2 LDB: ============== END OF LOAD BALANCING =============== 12550.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12550.2 LDB: ============= START OF LOAD BALANCING ============== 12550.6 LDB: Largest compute 7069 load 0.031311 is 16.0% of average load 0.195448 LDB: Average compute 0.004420 is 2.3% of average load 0.195448 LDB: TIME 12550.6 LOAD: AVG 0.195448 MAX 0.220459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.668 MB LDB: TIME 12550.6 LOAD: AVG 0.195448 MAX 0.220459 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: TIME 12550.6 LOAD: AVG 0.195448 MAX 0.217467 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: ============== END OF LOAD BALANCING =============== 12550.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12550.6 PRESSURE: 3864400 -24.7624 -40.4514 -120.825 -40.4513 50.3476 -36.9899 -120.826 -36.99 -521.7 GPRESSURE: 3864400 54.0559 17.1012 -41.38 -173.314 48.1815 -29.6138 97.3442 87.6184 -543.639 PRESSAVG: 3864400 24.4631 28.1194 -22.1758 28.1194 -55.9426 6.76753 -22.1759 6.76751 -9.67228 GPRESSAVG: 3864400 24.5654 28.9879 -22.4828 26.8978 -55.3894 5.94237 -20.7453 7.86752 -10.1466 TIMING: 3864400 CPU: 12538.5, 0.0031988/step Wall: 12538.5, 0.0031988/step, 1.00904 hours remaining, 234.851562 MB of memory in use. ENERGY: 3864400 4017.6231 20421.2845 14477.1876 271.5151 -203203.1112 2258.5583 0.0000 0.0000 51814.8527 -109942.0901 297.7807 -161756.9427 -109579.3665 298.4285 -165.3716 -147.1338 761459.7682 -13.7172 -13.6569 PRESSURE: 3864600 -134.482 205.679 -103.48 205.679 -5.63305 96.1666 -103.48 96.1671 83.484 GPRESSURE: 3864600 -74.4458 139.875 -155.621 58.0457 41.5299 104.498 -18.8709 25.5764 55.1687 PRESSAVG: 3864600 -6.4307 11.9824 -37.9617 11.9823 24.4234 -0.0846119 -37.9617 -0.0847505 -12.7662 GPRESSAVG: 3864600 -6.9642 12.8936 -37.2929 10.4078 26.6548 -0.830536 -37.467 0.495112 -14.3273 TIMING: 3864600 CPU: 12539.1, 0.00314061/step Wall: 12539.1, 0.00314061/step, 0.990513 hours remaining, 235.250000 MB of memory in use. ENERGY: 3864600 4042.5956 20278.6151 14476.3438 259.6362 -203437.1472 2497.7076 0.0000 0.0000 52135.7945 -109746.4544 299.6251 -161882.2489 -109386.3872 297.9270 -18.8770 7.4176 759586.9288 1.7422 1.7878 PRESSURE: 3864800 -114.601 -37.3434 -99.3903 -37.3432 -47.396 -223.712 -99.3908 -223.712 230.371 GPRESSURE: 3864800 -119.153 -34.2634 -98.2395 -1.38306 -22.6728 -250.782 -100.591 -69.1793 303.113 PRESSAVG: 3864800 55.362 -19.4515 -32.3259 -19.4514 -62.8884 8.08122 -32.3258 8.08128 3.23316 GPRESSAVG: 3864800 55.935 -20.5084 -32.8175 -16.5746 -63.5738 8.28332 -32.9838 6.47928 4.05507 TIMING: 3864800 CPU: 12539.7, 0.00314262/step Wall: 12539.7, 0.00314262/step, 0.990972 hours remaining, 235.250000 MB of memory in use. ENERGY: 3864800 3979.7657 20504.9932 14389.2358 279.9313 -203511.1030 2748.0350 0.0000 0.0000 51962.3637 -109646.7784 298.6284 -161609.1421 -109278.6791 299.2241 22.7912 53.7624 761210.3021 -1.4311 -1.1946 PRESSURE: 3865000 -91.9993 167.576 20.9563 167.576 -504.859 2.93891 20.9564 2.93782 -283.134 GPRESSURE: 3865000 -56.4164 142.222 -53.5135 121.277 -511.48 -73.4903 8.00713 -3.84217 -234.68 PRESSAVG: 3865000 7.14588 11.0136 -45.3174 11.0137 -34.1891 -6.86002 -45.3174 -6.86007 -2.10001 GPRESSAVG: 3865000 7.22783 10.94 -44.8554 11.9856 -35.1862 -5.24879 -47.5121 -9.50851 -2.06363 TIMING: 3865000 CPU: 12540.4, 0.0031394/step Wall: 12540.4, 0.0031394/step, 0.989782 hours remaining, 235.250000 MB of memory in use. ENERGY: 3865000 4034.2782 20568.4929 14403.3470 242.7300 -202923.1454 2131.8792 0.0000 0.0000 52076.5379 -109465.8803 299.2846 -161542.4182 -109115.1941 298.9520 -293.3306 -267.5253 762079.2619 -9.7144 -10.0073 PRESSURE: 3865200 279.556 83.2891 -95.7801 83.2885 58.687 166.458 -95.7801 166.459 40.3822 GPRESSURE: 3865200 349.121 39.0906 -119.178 139.342 86.7283 156.568 -78.8582 -16.4768 39.8143 PRESSAVG: 3865200 59.8955 -15.6516 -14.0351 -15.6517 -57.2679 24.3632 -14.0351 24.3633 -0.765717 GPRESSAVG: 3865200 60.0598 -16.0827 -15.0646 -16.5808 -56.3929 23.2592 -13.6173 25.3295 -2.02896 TIMING: 3865200 CPU: 12541, 0.0031458/step Wall: 12541, 0.0031458/step, 0.991626 hours remaining, 235.250000 MB of memory in use. ENERGY: 3865200 3992.1262 20378.2894 14501.1619 235.0593 -203373.6403 2475.7214 0.0000 0.0000 52237.7315 -109553.5505 300.2110 -161791.2820 -109190.2894 298.9613 126.2082 158.5547 760408.0026 0.6206 0.5460 PRESSURE: 3865400 119.524 113.825 -51.9751 113.825 -306.726 144 -51.9754 144 270.432 GPRESSURE: 3865400 158.49 56.5416 -47.3044 146.438 -249.649 193.109 -27.7049 163.603 244.782 PRESSAVG: 3865400 0.314704 -25.5661 50.2848 -25.5661 -28.8572 -31.8189 50.2848 -31.8188 0.801896 GPRESSAVG: 3865400 0.568169 -23.6157 51.3368 -25.2635 -29.7689 -30.7599 52.7182 -31.203 1.49537 TIMING: 3865400 CPU: 12541.6, 0.0031242/step Wall: 12541.6, 0.0031242/step, 0.984644 hours remaining, 235.250000 MB of memory in use. ENERGY: 3865400 3936.7821 20578.3735 14459.7538 241.4398 -203195.3484 2410.1150 0.0000 0.0000 51957.1075 -109611.7767 298.5982 -161568.8842 -109246.9359 299.0401 27.7431 51.2078 761700.2410 -9.2469 -9.2351 PRESSURE: 3865600 258.627 19.0796 -134.828 19.0808 65.5918 -158.303 -134.828 -158.303 -343.075 GPRESSURE: 3865600 242.902 -35.5097 -117.559 15.3967 76.454 -156.715 -41.3774 -199.055 -259.114 PRESSAVG: 3865600 58.0525 -43.859 -16.3992 -43.859 -44.8791 51.3172 -16.3992 51.3172 2.54041 GPRESSAVG: 3865600 58.2555 -45.4533 -17.4697 -45.1979 -46.1465 51.1988 -17.1902 51.9088 3.50679 TIMING: 3865600 CPU: 12542.2, 0.00312099/step Wall: 12542.2, 0.00312099/step, 0.983459 hours remaining, 235.250000 MB of memory in use. ENERGY: 3865600 3987.9905 20474.4037 14487.4079 248.6470 -203350.9205 2418.9245 0.0000 0.0000 52235.0159 -109498.5310 300.1954 -161733.5470 -109139.0338 299.2489 -6.2853 20.0807 761439.3821 5.2379 5.2053 PRESSURE: 3865800 -318.341 40.5425 -74.728 40.5422 -216.118 102.279 -74.728 102.28 -291.173 GPRESSURE: 3865800 -257.44 66.7846 -84.2905 47.2489 -226.411 131.026 -22.6629 100.444 -248.712 PRESSAVG: 3865800 29.6067 -44.7658 -22.9786 -44.7658 -57.5331 32.1811 -22.9786 32.1812 5.95609 GPRESSAVG: 3865800 29.2687 -45.2984 -23.3497 -44.531 -57.2904 32.8201 -22.8055 30.7129 6.15241 TIMING: 3865800 CPU: 12542.9, 0.00312798/step Wall: 12542.9, 0.00312798/step, 0.985486 hours remaining, 235.250000 MB of memory in use. ENERGY: 3865800 3953.0723 20465.7821 14498.7258 245.8722 -202790.6731 2333.7649 0.0000 0.0000 52035.2411 -109258.2147 299.0472 -161293.4558 -108901.8942 299.6264 -275.2108 -244.1877 763566.8274 -7.3234 -7.2898 PRESSURE: 3866000 307.265 -157.559 61.1454 -157.558 122.562 51.6214 61.1468 51.6219 -165.663 GPRESSURE: 3866000 221.196 -91.6863 105.484 -64.0458 186.772 41.2481 -44.1529 164.151 -66.789 PRESSAVG: 3866000 -0.966595 -42.8991 -13.1075 -42.8991 -22.1068 7.12282 -13.1075 7.12282 -8.57022 GPRESSAVG: 3866000 -0.986151 -41.7769 -10.3673 -43.4448 -21.4663 4.679 -14.6429 10.1739 -8.50646 TIMING: 3866000 CPU: 12543.5, 0.00311183/step Wall: 12543.5, 0.00311183/step, 0.980226 hours remaining, 235.250000 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: 3866000 3882.7394 20470.7791 14508.8743 249.4981 -202735.7740 2220.0686 0.0000 0.0000 51929.0638 -109474.7507 298.4370 -161403.8145 -109119.9012 299.5202 88.0545 113.7263 761532.4838 -10.5479 -10.3196 PRESSURE: 3866200 -117.341 -159.404 -183.311 -159.404 143.259 119.754 -183.311 119.754 25.719 GPRESSURE: 3866200 -24.8494 -125.122 -147.039 -121.951 110.704 70.8861 -171.122 -4.8069 51.8672 PRESSAVG: 3866200 84.5023 -18.7096 -2.63111 -18.7096 -51.9857 25.5596 -2.63109 25.5597 5.67261 GPRESSAVG: 3866200 84.5242 -19.4878 -3.53662 -15.5939 -52.9916 27.8429 -0.831116 23.363 6.40822 TIMING: 3866200 CPU: 12544.1, 0.00311968/step Wall: 12544.1, 0.00311968/step, 0.982525 hours remaining, 235.250000 MB of memory in use. ENERGY: 3866200 3980.8617 20459.5863 14496.0720 245.9122 -203247.6416 2392.6984 0.0000 0.0000 52018.6871 -109653.8239 298.9521 -161672.5110 -109291.5350 298.7281 17.2125 45.9074 760792.4122 12.7297 12.6469 PRESSURE: 3866400 228.758 -43.9229 -132.905 -43.9225 25.6809 -0.780731 -132.905 -0.78014 293.875 GPRESSURE: 3866400 271.596 -1.30453 -67.9346 -110.475 103.672 -77.3394 -146.016 -39.5533 258.907 PRESSAVG: 3866400 15.7524 5.2112 4.92509 5.21124 -0.0771345 26.8128 4.92505 26.8128 -5.62432 GPRESSAVG: 3866400 14.6661 6.74567 5.1395 3.24723 1.20027 24.5064 4.46553 28.8234 -5.98619 TIMING: 3866400 CPU: 12544.7, 0.00314251/step Wall: 12544.7, 0.00314251/step, 0.989541 hours remaining, 235.250000 MB of memory in use. ENERGY: 3866400 3955.7490 20454.8376 14585.0679 256.7015 -203543.8593 2603.5720 0.0000 0.0000 52012.5667 -109675.3647 298.9169 -161687.9314 -109315.2372 298.9803 182.7712 211.3916 761136.6490 3.3503 3.2934 PRESSURE: 3866600 89.3673 -7.04537 226.604 -7.04584 232.187 84.2636 226.604 84.2656 -314.299 GPRESSURE: 3866600 100.086 48.9567 142.275 43.7811 202 125.492 206.085 83.9686 -230.17 PRESSAVG: 3866600 -18.9293 11.0355 29.8902 11.0356 37.6396 11.5847 29.8902 11.5848 8.29206 GPRESSAVG: 3866600 -17.7354 11.3599 28.8248 9.05223 38.1673 14.9016 28.3993 9.14065 6.94067 TIMING: 3866600 CPU: 12545.4, 0.00312796/step Wall: 12545.4, 0.00312796/step, 0.984785 hours remaining, 235.250000 MB of memory in use. ENERGY: 3866600 4004.0434 20497.2389 14483.8493 262.5774 -203528.6401 2953.1150 0.0000 0.0000 51952.8177 -109374.9984 298.5736 -161327.8161 -109019.9869 298.8681 2.4185 23.9722 761422.7746 9.0008 9.1242 PRESSURE: 3866800 386.04 118.668 111.485 118.668 92.0273 -142.504 111.485 -142.504 103.709 GPRESSURE: 3866800 435.934 103.059 94.9475 157.936 134.574 -109.653 105.441 -105.181 93.0717 PRESSAVG: 3866800 50.8739 23.4763 2.46973 23.4763 -73.7179 10.052 2.4697 10.0519 -7.73924 GPRESSAVG: 3866800 50.5503 21.8846 1.35804 24.731 -73.528 8.41081 4.55202 11.0544 -7.62842 TIMING: 3866800 CPU: 12546, 0.00312615/step Wall: 12546, 0.00312614/step, 0.984041 hours remaining, 235.250000 MB of memory in use. ENERGY: 3866800 3998.0663 20310.1993 14459.0152 242.4074 -203386.7169 2902.9558 0.0000 0.0000 52043.1372 -109430.9357 299.0926 -161474.0729 -109068.0399 299.7465 193.9252 221.1930 760916.6456 -10.1944 -10.2020 PRESSURE: 3867000 -30.8505 -49.2611 -40.3247 -49.2625 -161.261 -48.4396 -40.3238 -48.4406 124.535 GPRESSURE: 3867000 -69.1739 -94.5896 -40.4404 -30.0749 -108.409 26.9376 -54.8504 -146.5 199.943 PRESSAVG: 3867000 44.5383 8.18721 -1.29345 8.1872 -19.4659 -19.4121 -1.29336 -19.4121 0.659203 GPRESSAVG: 3867000 44.6446 5.95327 -1.2708 11.1427 -20.4646 -19.5786 -1.34636 -20.2483 1.29905 TIMING: 3867000 CPU: 12546.6, 0.00311796/step Wall: 12546.6, 0.00311797/step, 0.981293 hours remaining, 235.453125 MB of memory in use. ENERGY: 3867000 3962.9021 20417.0824 14506.9149 233.4731 -203096.0962 2265.1007 0.0000 0.0000 52090.9530 -109619.6699 299.3674 -161710.6229 -109253.9660 298.8517 -22.5257 7.4533 761398.1493 8.5772 8.4930 PRESSURE: 3867200 -240.733 143.515 -181.915 143.515 -195.939 -40.4449 -181.914 -40.4448 -14.4607 GPRESSURE: 3867200 -215.702 78.3022 -126.897 110.555 -142.322 -52.158 -173.159 26.144 -4.6899 PRESSAVG: 3867200 -16.6856 -35.2007 -39.3038 -35.2007 30.9932 21.9658 -39.3039 21.9658 33.9669 GPRESSAVG: 3867200 -17.4953 -33.2002 -37.4739 -38.6038 31.5228 21.8682 -40.9724 23.7247 34.5133 TIMING: 3867200 CPU: 12547.2, 0.00311244/step Wall: 12547.2, 0.00311244/step, 0.979382 hours remaining, 235.453125 MB of memory in use. ENERGY: 3867200 3971.4591 20564.2985 14436.6134 242.7009 -203292.2369 2455.0266 0.0000 0.0000 52150.0707 -109472.0677 299.7072 -161622.1384 -109105.2162 298.9551 -150.3779 -120.9047 761333.6710 16.0915 16.1803 PRESSURE: 3867400 72.7256 -15.8154 106.813 -15.8159 -118.496 -133.571 106.812 -133.569 74.984 GPRESSURE: 3867400 45.695 72.8594 103.231 -33.8558 -45.284 -224.243 31.2025 -61.4471 100.219 PRESSAVG: 3867400 -26.3046 10.704 -19.1866 10.704 46.3116 1.18735 -19.1866 1.1874 3.19591 GPRESSAVG: 3867400 -25.9697 10.2724 -19.8043 10.9077 46.2274 1.93068 -19.1167 0.468463 3.35317 TIMING: 3867400 CPU: 12547.9, 0.00313251/step Wall: 12547.9, 0.00313251/step, 0.985522 hours remaining, 235.453125 MB of memory in use. ENERGY: 3867400 3964.1972 20544.6517 14411.5192 237.7657 -202959.2381 2382.6082 0.0000 0.0000 52055.7599 -109362.7361 299.1652 -161418.4960 -109015.0865 299.1640 9.7379 33.5433 761064.8267 7.7343 7.8703 PRESSURE: 3867600 -71.6229 92.7452 -6.8658 92.7442 81.5142 80.4301 -6.86566 80.4307 244.823 GPRESSURE: 3867600 2.68449 200.042 24.1125 111.056 81.8659 145.983 -11.3617 72.6299 244.479 PRESSAVG: 3867600 51.6998 1.32499 -30.0527 1.32497 -32.9611 39.6856 -30.0527 39.6856 21.1555 GPRESSAVG: 3867600 52.2455 3.16357 -30.2098 1.84111 -33.7674 39.4782 -31.1208 38.9913 21.1213 TIMING: 3867600 CPU: 12548.5, 0.00312861/step Wall: 12548.5, 0.0031286/step, 0.98412 hours remaining, 235.453125 MB of memory in use. ENERGY: 3867600 3869.8056 20549.4262 14344.7585 242.4954 -202818.6059 2321.1535 0.0000 0.0000 52139.3144 -109351.6524 299.6454 -161490.9668 -108989.5663 298.9531 84.9046 109.6765 761708.5218 13.2981 13.1998 PRESSURE: 3867800 248.111 -100.393 -241.429 -100.394 236.95 194.555 -241.429 194.555 -148.976 GPRESSURE: 3867800 250.35 86.4984 -302.173 -104.487 226.329 196.442 -351.708 187.37 -45.331 PRESSAVG: 3867800 16.8432 8.19881 -37.0424 8.19879 1.71715 11.0673 -37.0424 11.0675 1.66031 GPRESSAVG: 3867800 14.9692 5.93087 -37.8318 8.42598 2.57576 10.9866 -35.2179 10.4683 2.44979 TIMING: 3867800 CPU: 12549.1, 0.00312443/step Wall: 12549.1, 0.00312444/step, 0.982635 hours remaining, 235.453125 MB of memory in use. ENERGY: 3867800 3877.8259 20416.1395 14453.2259 254.0329 -203087.7621 2464.8281 0.0000 0.0000 52211.1880 -109410.5218 300.0584 -161621.7098 -109051.3165 298.9930 112.0282 143.7826 762590.4033 6.7402 6.6649 PRESSURE: 3868000 -128.891 51.1196 -173.26 51.1193 -341.348 -235.469 -173.26 -235.47 -674.484 GPRESSURE: 3868000 -91.1937 52.7592 -165.176 0.271041 -309.707 -241.181 -111.996 -243.997 -634.419 PRESSAVG: 3868000 9.22413 -6.59117 -26.6794 -6.59118 -36.428 70.8771 -26.6794 70.877 -1.99169 GPRESSAVG: 3868000 9.75065 -5.36663 -28.9795 -5.67136 -37.5325 71.0443 -25.1702 71.5631 -1.98511 TIMING: 3868000 CPU: 12549.7, 0.00312246/step Wall: 12549.7, 0.00312246/step, 0.98184 hours remaining, 235.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3868000 3998.8862 20483.6004 14497.3680 234.9046 -202871.9697 2220.9248 0.0000 0.0000 52079.3174 -109356.9682 299.3006 -161436.2856 -108995.8814 299.2616 -381.5744 -345.1065 762390.0536 -9.7318 -9.9223 PRESSURE: 3868200 -308.893 -117.176 8.18905 -117.176 -181.026 -124.514 8.1891 -124.514 -420.202 GPRESSURE: 3868200 -268.643 -96.4644 -16.5526 -46.1242 -176.728 -88.6688 22.7718 -55.4622 -379.558 PRESSAVG: 3868200 -6.59031 -36.5486 -21.6657 -36.5485 9.69269 18.2006 -21.6657 18.2006 5.79994 GPRESSAVG: 3868200 -6.6129 -37.6028 -20.3552 -37.3252 11.6218 17.8408 -22.4671 18.6449 4.47737 TIMING: 3868200 CPU: 12550.4, 0.00313004/step Wall: 12550.4, 0.00313004/step, 0.98405 hours remaining, 235.453125 MB of memory in use. ENERGY: 3868200 4046.8917 20371.5718 14453.7481 234.7861 -203091.1398 2467.3399 0.0000 0.0000 52119.4727 -109397.3295 299.5313 -161516.8022 -109026.1755 299.5273 -303.3737 -274.9766 762752.2105 2.9674 3.1621 LDB: ============= START OF LOAD BALANCING ============== 12562.8 LDB: ============== END OF LOAD BALANCING =============== 12562.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12562.8 LDB: ============= START OF LOAD BALANCING ============== 12563.1 LDB: Largest compute 7069 load 0.032295 is 16.5% of average load 0.195573 LDB: Average compute 0.004395 is 2.2% of average load 0.195573 LDB: TIME 12563.1 LOAD: AVG 0.195573 MAX 0.214994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.539 MB LDB: TIME 12563.1 LOAD: AVG 0.195573 MAX 0.214994 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 12563.1 LOAD: AVG 0.195573 MAX 0.214994 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 12563.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12563.1 PRESSURE: 3868400 203.413 -321.797 23.1919 -321.798 62.9416 193.329 23.1924 193.33 -130.335 GPRESSURE: 3868400 151.698 -217.567 -17.5982 -280.319 187.317 158.991 0.815693 81.5646 -120.875 PRESSAVG: 3868400 -23.9013 -8.76888 -69.8365 -8.76886 5.22385 -11.6229 -69.8365 -11.6229 -14.2606 GPRESSAVG: 3868400 -24.7359 -6.98168 -69.5645 -9.47065 4.40993 -12.4786 -70.7589 -10.9319 -12.898 TIMING: 3868400 CPU: 12551, 0.00319482/step Wall: 12551, 0.00319482/step, 1.00424 hours remaining, 234.199219 MB of memory in use. ENERGY: 3868400 3974.6583 20488.5817 14441.0829 249.7339 -203112.1793 2501.0547 0.0000 0.0000 52040.5647 -109416.5031 299.0778 -161457.0678 -109057.9329 298.6109 45.3400 72.7135 762615.6271 -10.9793 -11.0747 PRESSURE: 3868600 50.9442 -130.664 86.4841 -130.663 -162.573 326.038 86.4834 326.038 -141.723 GPRESSURE: 3868600 104.972 -72.6712 98.414 -84.6156 -105.158 349.504 84.2951 296.152 -161.575 PRESSAVG: 3868600 -30.1515 -23.8869 49.579 -23.8869 32.6069 26.7934 49.579 26.7934 16.6737 GPRESSAVG: 3868600 -28.853 -25.6914 49.1856 -21.8793 32.6927 27.7641 48.5447 24.0363 15.6025 TIMING: 3868600 CPU: 12551.6, 0.00312176/step Wall: 12551.6, 0.00312176/step, 0.981099 hours remaining, 234.597656 MB of memory in use. ENERGY: 3868600 3894.2161 20530.0810 14420.2095 261.8447 -203133.3866 2326.8912 0.0000 0.0000 52101.5047 -109598.6395 299.4281 -161700.1442 -109237.3568 299.2909 -84.4505 -53.9200 761713.9876 6.3764 6.4807 PRESSURE: 3868800 11.7655 225.923 -206.173 225.923 -86.5403 258.908 -206.174 258.908 72.8786 GPRESSURE: 3868800 28.1481 109.305 -215.014 230.683 18.2332 299.482 -86.0552 146.49 41.465 PRESSAVG: 3868800 -38.1704 -78.8246 2.65975 -78.8247 65.8465 41.9621 2.65977 41.962 6.28556 GPRESSAVG: 3868800 -39.9366 -77.5287 3.97571 -78.0955 66.6351 42.4377 3.60432 41.5197 7.53238 TIMING: 3868800 CPU: 12552.2, 0.00311776/step Wall: 12552.2, 0.00311776/step, 0.979669 hours remaining, 234.597656 MB of memory in use. ENERGY: 3868800 3942.4663 20411.5283 14415.3075 253.4124 -202752.4575 2340.6971 0.0000 0.0000 52105.0350 -109284.0108 299.4484 -161389.0458 -108919.9828 298.9370 -0.6321 29.2821 761135.4328 11.3205 11.4103 PRESSURE: 3869000 123.83 26.5255 9.79933 26.5246 -75.577 112.641 9.79917 112.641 -562.335 GPRESSURE: 3869000 185.611 -69.0532 -4.2251 33.8737 -91.9453 135.246 123.541 31.7452 -524.428 PRESSAVG: 3869000 45.8454 -23.9966 -22.0031 -23.9966 -32.8972 45.9007 -22.0032 45.9007 -15.5518 GPRESSAVG: 3869000 46.1467 -23.1827 -21.8879 -26.0875 -33.5848 46.6059 -19.9317 47.315 -15.3388 TIMING: 3869000 CPU: 12552.9, 0.00311458/step Wall: 12552.9, 0.00311458/step, 0.978498 hours remaining, 234.722656 MB of memory in use. ENERGY: 3869000 3944.3504 20495.9365 14481.0579 259.2995 -202908.0354 2476.2739 0.0000 0.0000 51876.9933 -109374.1239 298.1378 -161251.1172 -109007.6592 299.5280 -171.3606 -143.5873 761801.9774 -0.8679 -0.9256 PRESSURE: 3869200 320.001 138.689 103.037 138.689 -35.6694 -41.0604 103.037 -41.061 -165.799 GPRESSURE: 3869200 293.292 44.7252 112.283 36.1611 54.5381 -95.776 -24.3726 1.4065 -132.612 PRESSAVG: 3869200 30.4691 -77.7391 63.8552 -77.739 27.4707 14.226 63.8552 14.226 17.1962 GPRESSAVG: 3869200 32.8581 -80.4862 65.1251 -75.4027 27.0733 13.6762 61.1991 12.0021 14.6934 TIMING: 3869200 CPU: 12553.5, 0.00310092/step Wall: 12553.5, 0.00310092/step, 0.974034 hours remaining, 234.722656 MB of memory in use. ENERGY: 3869200 3924.4354 20315.8312 14494.3031 258.7719 -202889.2139 2471.5189 0.0000 0.0000 52175.6267 -109248.7265 299.8540 -161424.3533 -108886.6026 298.9890 39.5108 71.7393 760613.7163 25.0453 24.8749 PRESSURE: 3869400 -207.052 -136.276 -16.4304 -136.276 -290.493 122.831 -16.4305 122.832 59.1464 GPRESSURE: 3869400 -163.407 -128.187 -3.97312 -134.05 -193.775 75.2636 -84.656 169.39 6.74713 PRESSAVG: 3869400 22.4782 -2.96721 -18.474 -2.96718 -1.9534 -36.0922 -18.474 -36.0922 -5.3715 GPRESSAVG: 3869400 21.1291 -1.13634 -19.3054 -5.55545 -2.05409 -37.0776 -18.915 -32.5276 -3.47688 TIMING: 3869400 CPU: 12554.1, 0.00311871/step Wall: 12554.1, 0.00311871/step, 0.979449 hours remaining, 234.722656 MB of memory in use. ENERGY: 3869400 3927.9959 20456.6708 14413.3195 253.1799 -202338.5706 2000.8327 0.0000 0.0000 52191.3815 -109095.1904 299.9446 -161286.5719 -108725.0250 299.5338 -146.1328 -116.8117 760417.0533 5.0511 5.1994 PRESSURE: 3869600 -107.688 -67.1783 -6.51066 -67.1792 -84.0507 -61.4263 -6.51058 -61.4263 -222.16 GPRESSURE: 3869600 -143.355 -208.645 175.377 15.9558 68.3763 -27.5609 85.1935 -2.168 -246.72 PRESSAVG: 3869600 21.2325 -21.0491 -29.2811 -21.0491 -50.8881 -13.8718 -29.281 -13.8718 24.178 GPRESSAVG: 3869600 22.1295 -21.8752 -29.7247 -21.2751 -50.4846 -12.0141 -28.4909 -15.1489 23.1074 TIMING: 3869600 CPU: 12554.7, 0.00311323/step Wall: 12554.7, 0.00311323/step, 0.977555 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869600 3979.4824 20575.7623 14395.7362 231.1862 -202818.7433 2562.8334 0.0000 0.0000 51719.8050 -109353.9378 297.2344 -161073.7427 -108991.2646 298.8270 -137.9661 -107.2329 763774.5361 -1.8258 -1.7493 PRESSURE: 3869800 140.005 33.5106 22.1428 33.5108 -231.426 -91.9974 22.1418 -91.9961 -407.244 GPRESSURE: 3869800 132.378 138.592 11.2152 4.77101 -253.323 -124.516 79.1277 -57.5825 -293.688 PRESSAVG: 3869800 37.0378 -39.7388 -37.7923 -39.7388 -28.1167 33.6385 -37.7923 33.6385 -13.5274 GPRESSAVG: 3869800 36.3044 -39.9375 -37.8763 -38.4152 -28.2639 31.0486 -39.0162 35.2246 -12.557 TIMING: 3869800 CPU: 12555.4, 0.0031334/step Wall: 12555.4, 0.0031334/step, 0.983714 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869800 3989.8841 20406.1474 14442.0782 240.0682 -202977.8849 2335.3166 0.0000 0.0000 52014.0820 -109550.3083 298.9256 -161564.3904 -109191.3581 298.5949 -166.2217 -138.2110 763633.0999 -1.5354 -1.5055 PRESSURE: 3870000 -54.1118 181.922 -229.997 181.921 -200.717 -154.177 -229.998 -154.178 -40.8079 GPRESSURE: 3870000 39.422 60.2662 -223.052 95.1968 -129.565 -72.0668 -165.339 -190.237 -105.428 PRESSAVG: 3870000 14.9347 8.13418 9.55856 8.13414 3.99894 2.09658 9.55855 2.09655 18.7821 GPRESSAVG: 3870000 17.4989 8.74958 10.2264 5.92518 3.38234 3.17542 10.3868 0.907461 17.6681 TIMING: 3870000 CPU: 12556, 0.00311151/step Wall: 12556, 0.00311151/step, 0.976668 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3870000 4005.4707 20163.1515 14434.9218 263.5017 -202917.5583 2284.4854 0.0000 0.0000 52054.7464 -109711.2808 299.1593 -161766.0272 -109353.2572 298.7799 -98.5456 -65.1903 762022.3309 12.5719 12.8498 PRESSURE: 3870200 243.009 -148.848 203.614 -148.848 -409.779 -103.453 203.613 -103.453 3.79033 GPRESSURE: 3870200 163.65 -190.606 203.454 -103.305 -289.558 -81.6397 56.9498 -12.3567 48.7677 PRESSAVG: 3870200 124.661 -25.1485 -49.6267 -25.1485 -63.717 -31.7796 -49.6267 -31.7796 -26.7183 GPRESSAVG: 3870200 122.203 -24.8161 -52.1373 -23.8076 -61.8547 -31.0175 -49.5245 -32.3297 -25.9058 TIMING: 3870200 CPU: 12556.6, 0.00311318/step Wall: 12556.6, 0.00311318/step, 0.97702 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870200 3974.8327 20433.8166 14496.3750 239.1157 -203287.1915 2523.8733 0.0000 0.0000 51840.2176 -109778.9606 297.9264 -161619.1782 -109420.9868 298.4127 -54.3265 -25.7135 762612.8843 11.4085 11.4810 PRESSURE: 3870400 283.484 102.419 -31.8838 102.419 -78.4153 233.455 -31.884 233.455 7.16404 GPRESSURE: 3870400 257.207 126.755 71.6155 -27.8578 26.5263 276.669 -105.605 242.585 23.6444 PRESSAVG: 3870400 40.141 21.6398 31.7945 21.6399 -42.2564 47.2576 31.7945 47.2576 -6.94958 GPRESSAVG: 3870400 41.3086 21.6093 34.3217 19.9668 -43.4641 45.8348 31.0824 49.0131 -6.83657 TIMING: 3870400 CPU: 12557.2, 0.00310315/step Wall: 12557.2, 0.00310315/step, 0.973699 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870400 3953.1950 20372.8950 14326.6461 242.6273 -203083.2502 2465.3463 0.0000 0.0000 52022.8443 -109699.6962 298.9760 -161722.5405 -109335.6796 298.3460 70.7441 102.4592 762637.8834 -3.0216 -2.9973 PRESSURE: 3870600 216.9 27.1576 55.4461 27.1577 -203.064 22.6614 55.4461 22.6603 6.41524 GPRESSURE: 3870600 210.918 63.8692 -31.6105 6.4064 -130.67 57.2753 193.528 74.3928 25.3591 PRESSAVG: 3870600 42.3352 41.6726 5.41757 41.6726 -62.9724 -18.9815 5.41755 -18.9815 -11.4921 GPRESSAVG: 3870600 42.3247 40.6239 3.67868 44.0467 -62.5737 -18.6673 6.72012 -20.5654 -11.9948 TIMING: 3870600 CPU: 12557.8, 0.00311349/step Wall: 12557.8, 0.00311349/step, 0.976772 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870600 4002.8427 20490.3652 14494.6197 249.5263 -203215.3706 2668.0395 0.0000 0.0000 51464.9387 -109845.0385 295.7697 -161309.9772 -109493.6420 297.9595 6.7507 35.2023 763584.3943 -10.7097 -10.7479 PRESSURE: 3870800 367.232 -60.3998 -331.608 -60.4002 -63.0247 95.8117 -331.609 95.8107 -200.045 GPRESSURE: 3870800 260.474 -66.2018 -264.35 -55.2436 81.151 123.72 -347.549 -46.5785 -118.687 PRESSAVG: 3870800 54.5143 40.465 -14.5591 40.465 -103.495 -12.6912 -14.5591 -12.6911 18.8819 GPRESSAVG: 3870800 54.217 39.7086 -13.0739 40.1915 -103.796 -10.9131 -17.3701 -12.7408 20 TIMING: 3870800 CPU: 12558.5, 0.00310815/step Wall: 12558.5, 0.00310815/step, 0.974924 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870800 3953.9761 20324.5026 14480.7579 263.8465 -203469.4888 2750.5956 0.0000 0.0000 52070.2979 -109625.5123 299.2487 -161695.8101 -109265.5551 298.5818 34.7207 74.3128 759963.7040 -10.0331 -9.8595 PRESSURE: 3871000 -7.99201 8.07095 -73.6867 8.07147 -62.6024 40.5832 -73.6872 40.5827 -240.2 GPRESSURE: 3871000 24.3124 56.0411 -55.0862 7.00371 -80.7906 94.7625 -35.1068 176.892 -193.047 PRESSAVG: 3871000 27.3609 12.7653 -23.4191 12.7654 -12.6439 43.1743 -23.4191 43.1744 4.78238 GPRESSAVG: 3871000 26.0658 13.3036 -24.6816 13.9958 -12.1904 42.9031 -22.4424 43.8452 4.70985 TIMING: 3871000 CPU: 12559.1, 0.00311374/step Wall: 12559.1, 0.00311374/step, 0.976503 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871000 3949.7755 20498.2335 14406.7449 246.7016 -203228.7951 2291.5268 0.0000 0.0000 52020.0995 -109815.7134 298.9602 -161835.8128 -109449.9852 298.6234 -103.5980 -83.1752 760809.5142 6.4998 6.1951 PRESSURE: 3871200 -467.35 -123.959 -145.228 -123.959 -523.876 2.80373 -145.228 2.80326 -165.344 GPRESSURE: 3871200 -325.329 -24.4527 -100.725 -170.629 -505.344 18.6828 -184.559 -17.0464 -229.177 PRESSAVG: 3871200 37.6238 -1.42427 -47.3324 -1.42427 -80.5882 18.3731 -47.3324 18.3731 5.69499 GPRESSAVG: 3871200 38.9583 0.3266 -48.4772 -4.50625 -82.9229 15.4465 -45.9767 20.4067 6.70167 TIMING: 3871200 CPU: 12559.7, 0.00311881/step Wall: 12559.7, 0.00311881/step, 0.977919 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871200 3939.9824 20444.7265 14414.5161 249.8458 -203164.0489 2230.1343 0.0000 0.0000 52110.8133 -109774.0305 299.4816 -161884.8438 -109405.5353 298.4819 -385.5232 -353.2836 761526.0414 -12.4232 -12.4210 PRESSURE: 3871400 13.107 -49.3092 169.209 -49.309 -5.77045 -219.823 169.209 -219.822 259.282 GPRESSURE: 3871400 -34.8768 -144.396 101.194 -72.2417 157.162 -175.3 10.7358 -244.958 222.442 PRESSAVG: 3871400 34.4028 25.6338 -2.81764 25.6337 -46.0314 14.3499 -2.81754 14.35 8.49105 GPRESSAVG: 3871400 33.9775 23.7925 -1.12327 26.4871 -44.5896 16.109 -4.38583 13.1108 7.68335 TIMING: 3871400 CPU: 12560.3, 0.00312037/step Wall: 12560.3, 0.00312037/step, 0.978236 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871400 4003.3753 20455.6189 14457.9093 237.7148 -203618.3986 2683.6394 0.0000 0.0000 52058.2850 -109721.8561 299.1797 -161780.1411 -109362.6576 298.6359 88.8728 114.9090 761961.9831 -1.0459 -0.9762 PRESSURE: 3871600 137.824 -158.597 33.4437 -158.597 130.377 -14.8542 33.444 -14.853 -3.42948 GPRESSURE: 3871600 196.4 -161.452 23.3555 -230.303 123.676 -74.1761 12.9493 18.5191 41.1836 PRESSAVG: 3871600 7.21654 12.5409 23.129 12.5409 32.3625 -20.4776 23.1289 -20.4776 -2.56983 GPRESSAVG: 3871600 7.77019 9.90062 23.7535 14.9232 31.9752 -19.7093 24.4151 -19.0766 -2.96301 TIMING: 3871600 CPU: 12561, 0.00311301/step Wall: 12561, 0.00311301/step, 0.975755 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871600 3974.4254 20474.5068 14531.6329 247.2477 -203215.0017 2504.6792 0.0000 0.0000 51958.4847 -109524.0249 298.6061 -161482.5096 -109163.0314 298.8974 88.2571 120.4199 760369.7667 12.3364 12.2608 PRESSURE: 3871800 -30.6192 82.5435 150.436 82.5427 -52.6075 97.2716 150.436 97.2733 387.502 GPRESSURE: 3871800 46.1714 113.59 62.5087 51.191 -26.8877 66.0045 204.576 59.4306 362.882 PRESSAVG: 3871800 45.6477 13.5291 41.9189 13.5291 -52.0578 49.3619 41.9189 49.362 -9.93789 GPRESSAVG: 3871800 46.4168 15.6773 42.7696 12.2163 -53.1331 47.3246 41.4527 46.0481 -9.53336 TIMING: 3871800 CPU: 12561.6, 0.00312483/step Wall: 12561.6, 0.00312483/step, 0.979287 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871800 3905.9245 20577.4840 14429.1715 251.6828 -203163.6526 2377.6532 0.0000 0.0000 52190.1868 -109431.5499 299.9377 -161621.7366 -109074.4990 299.2985 101.4250 127.3884 760592.6480 -5.4493 -5.4165 PRESSURE: 3872000 -1.55815 170.754 -202.334 170.754 -207.937 -184.168 -202.334 -184.168 79.0566 GPRESSURE: 3872000 22.1112 147.367 -157.259 51.0584 -111.96 -161.067 -269.304 -188.899 43.2679 PRESSAVG: 3872000 -32.7819 15.0358 -10.8613 15.0357 18.3489 -41.5191 -10.8614 -41.5192 -15.5257 GPRESSAVG: 3872000 -34.4996 13.252 -11.7299 14.8584 19.7044 -41.6108 -10.5982 -42.4909 -15.5449 TIMING: 3872000 CPU: 12562.2, 0.00311115/step Wall: 12562.2, 0.00311115/step, 0.974826 hours remaining, 234.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3872000 4070.1175 20694.2293 14402.8361 254.9062 -203515.2475 2538.9929 0.0000 0.0000 52129.7649 -109424.4006 299.5905 -161554.1656 -109061.0664 299.5261 -43.4795 -15.5271 759721.6350 -9.9862 -10.1134 PRESSURE: 3872200 -487.306 -38.1766 -39.1868 -38.1764 70.6619 90.3773 -39.1882 90.3764 216.123 GPRESSURE: 3872200 -367.458 -30.1836 8.70546 -178.371 17.6545 156.266 85.0493 -36.6729 232.296 PRESSAVG: 3872200 -37.4199 -6.44367 -33.0601 -6.44371 4.07972 16.5598 -33.0601 16.5597 -28.2154 GPRESSAVG: 3872200 -36.8246 -6.44497 -32.7686 -6.83685 3.46876 17.6287 -32.9135 18.5507 -27.9574 TIMING: 3872200 CPU: 12562.8, 0.00310651/step Wall: 12562.8, 0.00310651/step, 0.9732 hours remaining, 234.734375 MB of memory in use. ENERGY: 3872200 4033.9223 20360.5210 14386.9811 252.4991 -203615.3006 2898.1824 0.0000 0.0000 52255.0796 -109428.1152 300.3107 -161683.1947 -109060.8584 299.5429 -66.8402 -39.1690 761095.6079 -20.5185 -20.4377 LDB: ============= START OF LOAD BALANCING ============== 12575.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12575.2 LDB: =============== DONE WITH MIGRATION ================ 12575.2 LDB: ============= START OF LOAD BALANCING ============== 12575.6 LDB: Largest compute 7069 load 0.031720 is 16.2% of average load 0.195499 LDB: Average compute 0.004405 is 2.3% of average load 0.195499 LDB: TIME 12575.6 LOAD: AVG 0.195499 MAX 0.214033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.641 MB LDB: TIME 12575.6 LOAD: AVG 0.195499 MAX 0.214033 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: TIME 12575.6 LOAD: AVG 0.195499 MAX 0.214033 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: ============== END OF LOAD BALANCING =============== 12575.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12575.6 PRESSURE: 3872400 2.97275 74.8831 61.7632 74.8836 -99.2672 -4.28183 61.7637 -4.28253 -61.1313 GPRESSURE: 3872400 51.6938 55.1844 -17.0507 88.5751 -86.0515 37.7656 124.524 8.60006 -39.5421 PRESSAVG: 3872400 -34.5428 -3.6551 62.1952 -3.65508 45.1155 -8.97883 62.1951 -8.97877 -1.53042 GPRESSAVG: 3872400 -34.872 -3.18679 61.9274 -4.58818 44.2921 -9.26823 62.6681 -9.79991 -0.199799 TIMING: 3872400 CPU: 12563.5, 0.00317561/step Wall: 12563.5, 0.00317561/step, 0.994671 hours remaining, 232.800781 MB of memory in use. ENERGY: 3872400 3969.0933 20489.6902 14481.6296 251.1217 -203553.2665 2697.1859 0.0000 0.0000 52256.1691 -109408.3769 300.3169 -161664.5459 -109044.2853 299.1457 -52.4752 -24.6333 761668.8476 3.0141 3.0734 PRESSURE: 3872600 -42.2031 -90.7748 267.566 -90.775 -94.1805 128.739 267.565 128.739 561.163 GPRESSURE: 3872600 -32.3446 -230.342 192.685 -49.0429 29.967 8.7425 184.056 69.3292 500.095 PRESSAVG: 3872600 -18.1539 -47.4686 11.2763 -47.4687 5.93896 -6.18107 11.2764 -6.18111 5.27343 GPRESSAVG: 3872600 -19.1108 -46.2638 10.4634 -45.3401 7.246 -7.06818 11.7751 -4.36448 4.25787 TIMING: 3872600 CPU: 12564.1, 0.00312272/step Wall: 12564.1, 0.00312272/step, 0.977932 hours remaining, 233.003906 MB of memory in use. ENERGY: 3872600 3991.6846 20586.7526 14389.6086 244.6805 -203766.5092 2780.1457 0.0000 0.0000 52323.9674 -109449.6698 300.7066 -161773.6372 -109085.3956 299.9465 141.5931 165.9057 760496.9467 -2.3138 -2.5356 PRESSURE: 3872800 -244.758 86.9365 175.001 86.9369 -83.4341 34.21 175.001 34.2106 299.73 GPRESSURE: 3872800 -222.805 13.0986 121.914 140.372 25.0823 -2.78814 204.154 68.0113 263.234 PRESSAVG: 3872800 -15.91 5.6718 14.7571 5.67182 2.91913 30.0997 14.7571 30.0997 -40.8764 GPRESSAVG: 3872800 -14.7031 2.97949 15.964 6.02687 2.58624 29.695 14.303 29.3773 -41.8847 TIMING: 3872800 CPU: 12564.7, 0.00312164/step Wall: 12564.7, 0.00312164/step, 0.977419 hours remaining, 233.003906 MB of memory in use. ENERGY: 3872800 4048.2284 20693.3887 14451.9419 233.2251 -203645.2116 2755.0347 0.0000 0.0000 51984.3381 -109479.0547 298.7547 -161463.3928 -109115.8018 299.7015 -9.4876 21.8371 762873.1663 -17.9558 -18.0005 PRESSURE: 3873000 -249.655 156.176 -119.489 156.175 1.77673 -270.159 -119.489 -270.16 -74.9954 GPRESSURE: 3873000 -149.013 181.109 -133.096 76.1009 3.75269 -314.614 -39.3053 -235.504 -79.2893 PRESSAVG: 3873000 -63.3786 -44.4075 37.609 -44.4076 21.7139 -32.0771 37.609 -32.077 2.83249 GPRESSAVG: 3873000 -62.9665 -40.5166 36.1066 -45.13 22.11 -30.3279 37.783 -32.7538 2.08325 TIMING: 3873000 CPU: 12565.3, 0.00312399/step Wall: 12565.3, 0.00312399/step, 0.977984 hours remaining, 233.304688 MB of memory in use. ENERGY: 3873000 4043.6000 20592.6431 14449.8585 267.3911 -203152.4270 2609.6920 0.0000 0.0000 51802.3600 -109386.8824 297.7089 -161189.2425 -109030.3293 299.3705 -107.6247 -74.8500 761886.1187 -12.9441 -12.9244 PRESSURE: 3873200 -92.2584 92.8349 11.744 92.8345 -109.971 88.0447 11.7445 88.0439 -164.875 GPRESSURE: 3873200 -38.828 41.9985 22.4841 108.123 -120.9 61.6239 232.681 28.0504 -123.547 PRESSAVG: 3873200 7.30051 -27.7808 27.657 -27.7808 21.2199 19.8818 27.6569 19.8817 5.41688 GPRESSAVG: 3873200 6.81237 -29.3989 28.739 -27.6389 20.0453 20.0918 28.4403 20.789 6.25545 TIMING: 3873200 CPU: 12566, 0.00310623/step Wall: 12566, 0.00310623/step, 0.972251 hours remaining, 233.382812 MB of memory in use. ENERGY: 3873200 3961.3699 20650.0110 14409.4664 242.0006 -203519.7423 2654.9943 0.0000 0.0000 52056.7298 -109545.1703 299.1707 -161601.9001 -109191.1821 299.1984 -122.3683 -94.4249 758701.2296 11.3124 11.0377 PRESSURE: 3873400 -319.547 -109.376 165.635 -109.377 -59.6728 83.3419 165.634 83.3419 -13.9509 GPRESSURE: 3873400 -183.463 -237.124 42.4902 -86.7862 -76.2958 69.8342 183.283 53.7948 -46.6894 PRESSAVG: 3873400 1.78716 -10.8374 15.701 -10.8373 2.75711 21.0363 15.701 21.0363 17.0549 GPRESSAVG: 3873400 1.15159 -11.5805 15.8422 -9.43756 3.19523 20.7538 13.3818 19.1607 17.6783 TIMING: 3873400 CPU: 12566.6, 0.00310584/step Wall: 12566.6, 0.00310584/step, 0.971956 hours remaining, 233.410156 MB of memory in use. ENERGY: 3873400 3971.4757 20758.0027 14390.1018 263.1301 -202919.4164 2240.8730 0.0000 0.0000 51879.6846 -109416.1484 298.1533 -161295.8331 -109055.3908 299.4915 -131.0569 -102.1494 762321.2028 7.1997 7.3417 PRESSURE: 3873600 -345.31 13.1644 2.05941 13.1643 39.6678 82.0522 2.0599 82.0516 -198.582 GPRESSURE: 3873600 -292.454 40.193 83.9715 -58.2755 71.7377 96.7634 27.1861 86.9334 -185.298 PRESSAVG: 3873600 1.94542 -13.9578 50.1592 -13.9578 8.83565 11.8068 50.1592 11.8068 -0.582685 GPRESSAVG: 3873600 2.38239 -13.4627 49.7668 -17.2697 9.11038 10.3561 51.298 14.5963 -1.21298 TIMING: 3873600 CPU: 12567.2, 0.00309828/step Wall: 12567.2, 0.00309828/step, 0.969418 hours remaining, 233.410156 MB of memory in use. ENERGY: 3873600 4076.0921 20517.1871 14549.1238 251.1311 -203104.1053 2548.5468 0.0000 0.0000 52006.1083 -109155.9161 298.8798 -161162.0243 -108802.2410 299.5791 -168.0748 -135.3379 761817.3521 3.3995 3.4266 PRESSURE: 3873800 -8.88734 -156.26 -89.1348 -156.26 -194.009 197.42 -89.1346 197.42 -11.1828 GPRESSURE: 3873800 96.0993 -140.342 -48.2955 -57.764 -234.596 232.016 -24.5323 169.099 -3.31291 PRESSAVG: 3873800 30.3054 -0.437643 50.8634 -0.437651 20.6818 11.6283 50.8634 11.6284 -11.9782 GPRESSAVG: 3873800 30.8907 -2.21549 51.5353 2.99629 20.0739 13.8785 50.2042 9.89563 -11.734 TIMING: 3873800 CPU: 12567.8, 0.00312259/step Wall: 12567.8, 0.00312259/step, 0.97685 hours remaining, 233.410156 MB of memory in use. ENERGY: 3873800 3973.8184 20801.3150 14468.6837 242.0634 -203018.6487 2304.8564 0.0000 0.0000 51980.9755 -109246.9362 298.7354 -161227.9117 -108884.9818 300.1697 -71.3597 -47.2699 762501.5551 13.0030 13.0769 PRESSURE: 3874000 152.386 -56.0963 -167.523 -56.0954 -97.711 -94.2345 -167.524 -94.2343 -89.4197 GPRESSURE: 3874000 219.156 59.4382 -60.8654 -6.51849 -36.5937 -221.033 -142.759 -53.5394 -122.161 PRESSAVG: 3874000 58.5641 -17.4532 -21.2937 -17.4532 -107.09 -7.74788 -21.2938 -7.74789 27.6967 GPRESSAVG: 3874000 58.3703 -13.7853 -20.3197 -19.6683 -105.267 -8.97274 -20.8965 -8.76772 26.079 TIMING: 3874000 CPU: 12568.4, 0.00312592/step Wall: 12568.4, 0.00312592/step, 0.97772 hours remaining, 233.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3874000 3982.9008 20461.8241 14514.2662 224.8039 -203562.3211 2681.8437 0.0000 0.0000 52366.5728 -109330.1098 300.9514 -161696.6825 -108963.3494 299.3975 -11.5816 20.1339 761039.7863 -6.9430 -6.9392 PRESSURE: 3874200 147.869 -209.394 -73.2769 -209.394 54.7678 77.1329 -73.2758 77.1325 183.909 GPRESSURE: 3874200 157.484 -89.67 -69.9974 -264.545 93.2978 139.952 -58.4617 29.7032 207.747 PRESSAVG: 3874200 -6.80097 -21.2618 5.17488 -21.2618 -0.556884 -36.1164 5.17484 -36.1163 10.2987 GPRESSAVG: 3874200 -5.99299 -22.9479 4.41215 -22.2416 -3.2768 -36.2886 4.95836 -35.5812 11.9551 TIMING: 3874200 CPU: 12569.1, 0.00313038/step Wall: 12569.1, 0.00313038/step, 0.97894 hours remaining, 233.421875 MB of memory in use. ENERGY: 3874200 3977.7701 20778.0191 14411.6461 239.2076 -203452.3574 2570.1857 0.0000 0.0000 52237.9208 -109237.6080 300.2120 -161475.5288 -108876.6361 300.1869 128.8488 152.8430 761658.8916 0.9803 0.8951 PRESSURE: 3874400 118.265 12.9144 50.6123 12.9141 30.6683 61.7341 50.6117 61.7338 153.054 GPRESSURE: 3874400 208.928 42.3053 -46.3762 29.4093 18.1657 -48.4376 55.2987 41.9984 153.802 PRESSAVG: 3874400 -2.59044 -32.1857 -33.7258 -32.1858 22.0245 36.1541 -33.7258 36.154 9.98729 GPRESSAVG: 3874400 -3.09339 -32.1753 -34.8417 -30.5743 23.692 36.8013 -34.0982 36.3656 9.01596 TIMING: 3874400 CPU: 12569.7, 0.00313533/step Wall: 12569.7, 0.00313533/step, 0.980313 hours remaining, 233.421875 MB of memory in use. ENERGY: 3874400 3946.4807 20597.7094 14454.4762 244.3245 -203598.3195 2721.5994 0.0000 0.0000 52197.4259 -109436.3032 299.9793 -161633.7292 -109057.7482 300.1395 100.6622 126.9652 761217.8124 9.8071 9.8715 PRESSURE: 3874600 2.53016 16.6268 -113.335 16.6262 48.1434 3.08698 -113.334 3.08675 101.381 GPRESSURE: 3874600 38.9056 82.9619 -121.496 -105.164 151.807 -1.40444 3.45402 18.0612 58.9524 PRESSAVG: 3874600 -7.7138 -7.88152 -19.2022 -7.8815 23.601 -38.2539 -19.2022 -38.2539 -16.5445 GPRESSAVG: 3874600 -6.89431 -7.0825 -16.9552 -7.47927 23.5999 -37.8578 -20.1613 -37.5656 -17.7261 TIMING: 3874600 CPU: 12570.3, 0.00310189/step Wall: 12570.3, 0.00310188/step, 0.969684 hours remaining, 233.433594 MB of memory in use. ENERGY: 3874600 3944.4205 20605.1680 14438.5090 248.1832 -203462.2320 2729.6509 0.0000 0.0000 52092.6977 -109403.6026 299.3774 -161496.3003 -109040.4539 299.4749 50.6850 83.2216 760855.4761 -0.2191 -0.3402 PRESSURE: 3874800 238.272 -23.1486 240.714 -23.1484 9.44909 189.946 240.713 189.946 82.2145 GPRESSURE: 3874800 286.302 -110.799 249.096 -143.064 64.2762 129.794 87.8737 239.78 78.7987 PRESSAVG: 3874800 8.67399 -36.8843 -45.8332 -36.8843 22.9523 -0.0846079 -45.8333 -0.0845935 -1.31869 GPRESSAVG: 3874800 7.42567 -38.3794 -48.0201 -38.6525 23.5118 -0.524283 -44.4995 -0.332246 0.547034 TIMING: 3874800 CPU: 12570.9, 0.00310755/step Wall: 12570.9, 0.00310755/step, 0.971282 hours remaining, 233.425781 MB of memory in use. ENERGY: 3874800 3971.9571 20642.2087 14402.6395 245.0661 -203718.4491 2980.1350 0.0000 0.0000 52030.7724 -109445.6704 299.0216 -161476.4428 -109076.6025 299.5066 109.9787 143.1256 760864.8242 10.1025 10.4948 PRESSURE: 3875000 183.893 181.207 -33.6827 181.207 -236.29 -27.9813 -33.6832 -27.9802 -169.644 GPRESSURE: 3875000 147.649 156.71 69.3645 127.745 -177.624 82.459 -56.5136 8.06225 -91.992 PRESSAVG: 3875000 70.7055 9.7747 67.1974 9.77467 -97.5966 8.69954 67.1974 8.6996 1.53902 GPRESSAVG: 3875000 69.9573 10.355 66.5212 10.6513 -98.5904 8.78653 68.5954 9.65502 2.9491 TIMING: 3875000 CPU: 12571.6, 0.00310999/step Wall: 12571.6, 0.00310999/step, 0.971873 hours remaining, 233.429688 MB of memory in use. ENERGY: 3875000 3995.7869 20563.5795 14398.5207 233.8070 -202880.5031 2371.5878 0.0000 0.0000 51908.9151 -109408.3062 298.3212 -161317.2213 -109048.4767 299.0017 -74.0137 -40.6555 760389.7928 -8.4507 -8.5613 PRESSURE: 3875200 144.417 -14.232 234.572 -14.2318 -419.788 73.0176 234.573 73.0177 171.144 GPRESSURE: 3875200 193.557 82.8686 61.3446 -156.923 -353.496 -21.5999 289.405 8.56081 149.301 PRESSAVG: 3875200 54.6665 -12.3763 -2.77389 -12.3763 -60.9343 -14.9665 -2.77393 -14.9665 5.43547 GPRESSAVG: 3875200 54.2763 -13.5104 -1.92148 -10.5837 -60.0723 -15.5167 -4.4602 -16.5589 5.05948 TIMING: 3875200 CPU: 12572.2, 0.00311201/step Wall: 12572.2, 0.00311201/step, 0.972329 hours remaining, 233.429688 MB of memory in use. ENERGY: 3875200 3984.8424 20696.1363 14549.7735 237.8680 -203495.5998 2659.5584 0.0000 0.0000 51935.8651 -109431.5560 298.4761 -161367.4211 -109071.0200 299.4937 -34.7424 -3.5461 761293.1782 -0.2774 -0.2455 PRESSURE: 3875400 43.686 -136.726 37.5803 -136.725 43.108 0.699451 37.58 0.698962 227.118 GPRESSURE: 3875400 28.6612 -97.9478 -7.11157 -172.98 97.1655 -119.065 -51.1104 -14.8077 258.924 PRESSAVG: 3875400 5.47623 -28.0861 30.6905 -28.0861 -18.0714 -41.4297 30.6906 -41.4297 8.37963 GPRESSAVG: 3875400 6.65175 -27.0313 30.4537 -27.2189 -18.7207 -42.8773 31.3316 -39.8847 7.73272 TIMING: 3875400 CPU: 12572.8, 0.0031003/step Wall: 12572.8, 0.0031003/step, 0.9685 hours remaining, 233.433594 MB of memory in use. ENERGY: 3875400 3938.6502 20561.5124 14504.1981 249.4471 -203482.9675 2635.7193 0.0000 0.0000 51993.0322 -109600.4083 298.8047 -161593.4405 -109232.8704 299.2428 104.6372 128.2502 760972.6055 -1.4052 -1.4454 PRESSURE: 3875600 -205.276 -32.9773 -190.557 -32.9772 -56.2733 -50.4664 -190.558 -50.466 -124.57 GPRESSURE: 3875600 -176.011 -65.77 -188.516 71.0814 -31.668 -80.6911 -238.417 -67.7219 -113.803 PRESSAVG: 3875600 5.97101 -31.5715 -28.1025 -31.5715 19.066 20.7134 -28.1024 20.7134 -34.8933 GPRESSAVG: 3875600 4.58922 -31.4937 -27.8924 -32.8117 19.7535 21.1123 -27.0229 21.8755 -34.1109 TIMING: 3875600 CPU: 12573.4, 0.00310403/step Wall: 12573.4, 0.00310403/step, 0.969492 hours remaining, 233.441406 MB of memory in use. ENERGY: 3875600 4063.3028 20546.0740 14504.7989 256.1711 -203441.6020 2699.0915 0.0000 0.0000 52004.0926 -109368.0710 298.8682 -161372.1636 -109006.8822 299.0420 -128.7064 -107.1606 761733.5982 -3.2855 -3.2561 PRESSURE: 3875800 -97.8885 156.673 -29.4611 156.673 -171.423 138.86 -29.4616 138.862 -66.0137 GPRESSURE: 3875800 -65.3069 110.855 55.2347 105.02 -106.36 0.965587 63.0905 58.3961 -78.4201 PRESSAVG: 3875800 12.0486 -8.73425 -10.8953 -8.73421 -24.8713 25.6015 -10.8953 25.6015 -9.9791 GPRESSAVG: 3875800 12.6978 -7.44054 -9.67618 -9.57564 -25.3203 25.7771 -11.3541 21.7726 -10.4304 TIMING: 3875800 CPU: 12574.1, 0.00312416/step Wall: 12574.1, 0.00312416/step, 0.975606 hours remaining, 233.441406 MB of memory in use. ENERGY: 3875800 3956.4623 20581.2325 14450.9884 238.9442 -203155.2648 2501.7667 0.0000 0.0000 52162.2879 -109263.5828 299.7774 -161425.8707 -108901.5305 299.6784 -111.7749 -83.3623 761637.7394 -7.6006 -7.6843 PRESSURE: 3876000 -7.38427 -48.2256 33.3208 -48.2254 215.323 28.0309 33.3215 28.0308 188.817 GPRESSURE: 3876000 132.348 -27.1269 26.9145 -46.4012 197.476 40.2657 16.7582 40.7756 158.165 PRESSAVG: 3876000 -10.2828 -34.033 4.31083 -34.033 2.2611 -43.0328 4.31077 -43.0328 18.2781 GPRESSAVG: 3876000 -8.28463 -35.4669 2.33899 -34.0114 0.889182 -43.0734 1.37129 -40.7873 17.7037 TIMING: 3876000 CPU: 12574.7, 0.00310295/step Wall: 12574.7, 0.00310295/step, 0.96881 hours remaining, 233.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3876000 4014.2585 20729.7913 14519.5654 255.0860 -203346.9260 2521.7564 0.0000 0.0000 52061.7817 -109244.6867 299.1998 -161306.4684 -108891.4943 299.7696 132.2518 162.6628 761125.4731 3.4188 3.4361 PRESSURE: 3876200 -302.798 -42.7053 102.948 -42.7047 -106.559 5.09152 102.948 5.09129 264.93 GPRESSURE: 3876200 -285.597 62.9411 211.754 53.9985 -4.39385 -16.6845 211.572 3.1212 241.612 PRESSAVG: 3876200 26.2301 -49.504 16.2044 -49.504 -20.3367 44.2651 16.2045 44.2651 -19.12 GPRESSAVG: 3876200 25.6154 -48.3056 18.4799 -47.742 -19.4982 45.8698 16.9212 44.4304 -19.145 TIMING: 3876200 CPU: 12575.3, 0.00311547/step Wall: 12575.3, 0.00311547/step, 0.972546 hours remaining, 233.449219 MB of memory in use. ENERGY: 3876200 3965.9488 20424.0965 14503.9623 238.0408 -203212.5570 2588.6922 0.0000 0.0000 52234.4760 -109257.3403 300.1923 -161491.8163 -108904.5141 300.0015 -48.1424 -16.1262 761380.0270 -4.4088 -4.3426 LDB: ============= START OF LOAD BALANCING ============== 12587.7 LDB: ============== END OF LOAD BALANCING =============== 12587.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12587.7 LDB: ============= START OF LOAD BALANCING ============== 12588 LDB: Largest compute 7069 load 0.032942 is 16.8% of average load 0.195588 LDB: Average compute 0.004416 is 2.3% of average load 0.195588 LDB: TIME 12588 LOAD: AVG 0.195588 MAX 0.214118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 12588 LOAD: AVG 0.195588 MAX 0.214118 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 12588 LOAD: AVG 0.195588 MAX 0.214118 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 12588 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12588 PRESSURE: 3876400 402.131 76.6364 -6.65387 76.6357 -13.4968 70.9857 -6.65361 70.9858 387.838 GPRESSURE: 3876400 409.289 50.6566 -58.5413 3.88077 48.7516 42.05 -7.3922 119.923 405.886 PRESSAVG: 3876400 57.3759 -48.2709 7.96081 -48.2709 -55.2161 -4.80013 7.9609 -4.8001 -10.3713 GPRESSAVG: 3876400 57.1487 -49.3225 6.20837 -49.3714 -54.8759 -5.7794 11.4486 -7.51334 -10.5121 TIMING: 3876400 CPU: 12575.9, 0.0031943/step Wall: 12575.9, 0.0031943/step, 0.996977 hours remaining, 233.949219 MB of memory in use. ENERGY: 3876400 3945.6666 20637.9036 14458.5509 247.6666 -203599.7735 2922.1745 0.0000 0.0000 51933.7965 -109454.0148 298.4642 -161387.8113 -109097.4458 300.0142 258.8241 287.9754 759969.6530 -2.7371 -2.7464 PRESSURE: 3876600 -57.4304 105.404 30.3565 105.403 -2.34864 38.8966 30.3578 38.8965 -143.982 GPRESSURE: 3876600 -55.7919 42.278 39.2822 91.3411 54.227 98.705 12.7857 17.7347 -105.577 PRESSAVG: 3876600 19.7053 12.1739 3.37463 12.1739 -46.0373 4.43918 3.37461 4.43918 31.878 GPRESSAVG: 3876600 18.1972 12.8422 4.557 12.3037 -45.3822 4.5971 1.89807 7.05492 33.0893 TIMING: 3876600 CPU: 12576.6, 0.00314117/step Wall: 12576.6, 0.00314117/step, 0.98022 hours remaining, 234.222656 MB of memory in use. ENERGY: 3876600 3981.7264 20473.3817 14522.9806 250.0451 -203551.7565 2727.1418 0.0000 0.0000 52095.2668 -109501.2141 299.3922 -161596.4809 -109136.3416 299.2839 -67.9204 -35.7140 761687.0376 1.8487 1.9681 PRESSURE: 3876800 -248.522 -266.21 -69.2866 -266.211 102.629 75.6415 -69.2871 75.6403 -270.811 GPRESSURE: 3876800 -156.606 -286.628 -92.4389 -272.614 102.542 104.551 -24.4261 97.7861 -268.844 PRESSAVG: 3876800 6.53465 2.32684 -12.7042 2.32684 -17.2725 13.2699 -12.7042 13.2699 8.661 GPRESSAVG: 3876800 7.66984 1.2718 -12.2828 3.86253 -18.5118 12.2826 -14.0632 12.9115 8.50992 TIMING: 3876800 CPU: 12577.2, 0.00311843/step Wall: 12577.2, 0.00311843/step, 0.972949 hours remaining, 234.222656 MB of memory in use. ENERGY: 3876800 3975.8469 20561.3524 14408.2967 251.8823 -203434.2003 2626.1736 0.0000 0.0000 51962.2546 -109648.3937 298.6278 -161610.6484 -109291.7796 298.9877 -138.9012 -107.6364 760248.0207 -0.6923 -0.7774 PRESSURE: 3877000 -100.468 49.2928 -124.553 49.2936 92.504 -60.7058 -124.552 -60.704 -51.8527 GPRESSURE: 3877000 -51.449 76.4474 -138.168 190.753 69.3205 -130.707 -209.9 6.37724 0.378905 PRESSAVG: 3877000 7.75537 13.8398 20.3765 13.8397 -11.4162 10.1672 20.3765 10.1673 -24.9164 GPRESSAVG: 3877000 7.79135 16.3675 19.4018 10.1506 -12.0438 12.0386 18.578 10.2197 -24.5056 TIMING: 3877000 CPU: 12577.8, 0.00313506/step Wall: 12577.8, 0.00313506/step, 0.977964 hours remaining, 234.222656 MB of memory in use. ENERGY: 3877000 4014.5526 20483.3942 14456.4569 249.7122 -203129.8167 2531.3256 0.0000 0.0000 52101.6595 -109292.7157 299.4290 -161394.3752 -108931.8000 299.1997 -19.9390 6.0835 761903.1122 -9.5257 -9.5860 PRESSURE: 3877200 45.4391 130.932 62.3085 130.932 194.483 -78.351 62.3088 -78.352 -47.8403 GPRESSURE: 3877200 107.498 197.619 22.9076 82.5269 202.223 -72.0468 154.371 -16.0157 -47.8753 PRESSAVG: 3877200 -3.29335 -35.8981 -18.5043 -35.8981 19.5063 -32.6949 -18.5043 -32.6948 1.20415 GPRESSAVG: 3877200 -3.49209 -37.7974 -17.2605 -33.998 20.4702 -33.511 -16.4611 -32.0308 0.943444 TIMING: 3877200 CPU: 12578.4, 0.00313742/step Wall: 12578.4, 0.00313742/step, 0.978527 hours remaining, 234.222656 MB of memory in use. ENERGY: 3877200 4057.6456 20484.2417 14559.4737 252.3250 -203180.9851 2489.7054 0.0000 0.0000 52109.5400 -109228.0537 299.4742 -161337.5938 -108870.0695 299.9568 64.0273 87.2819 761495.4504 5.8057 5.9738 PRESSURE: 3877400 105.743 -113.773 51.5421 -113.773 166.479 73.7849 51.5419 73.7846 -71.4694 GPRESSURE: 3877400 164.861 -241.485 57.7494 -173.566 208.813 -53.9691 40.7166 19.2722 -96.5636 PRESSAVG: 3877400 5.97618 -3.22234 6.37285 -3.22235 -23.9722 -46.4698 6.3729 -46.4697 18.6669 GPRESSAVG: 3877400 7.9538 -4.61306 6.25139 -2.53371 -25.1978 -48.0839 5.90392 -47.546 17.4946 TIMING: 3877400 CPU: 12579.1, 0.00314094/step Wall: 12579.1, 0.00314094/step, 0.97945 hours remaining, 234.222656 MB of memory in use. ENERGY: 3877400 3937.4420 20635.1638 14460.0752 244.4578 -203655.3556 2805.7977 0.0000 0.0000 52175.0505 -109397.3686 299.8507 -161572.4191 -109037.2255 299.4645 66.9175 92.3702 763168.1986 0.2236 0.0835 PRESSURE: 3877600 -135.089 4.46507 306.413 4.4653 -327.247 -219.019 306.414 -219.019 40.6174 GPRESSURE: 3877600 -124.602 42.1509 338.279 76.482 -256.425 -204.731 253.18 -244.912 44.4055 PRESSAVG: 3877600 71.8455 -43.0122 -28.8299 -43.0122 -24.3756 -34.0161 -28.8298 -34.0161 -7.34945 GPRESSAVG: 3877600 70.1926 -41.8441 -29.13 -44.2908 -23.2855 -34.4688 -30.6945 -33.2404 -6.65484 TIMING: 3877600 CPU: 12579.7, 0.00312366/step Wall: 12579.7, 0.00312366/step, 0.973887 hours remaining, 234.222656 MB of memory in use. ENERGY: 3877600 3987.7741 20369.3645 14409.7587 240.3948 -203068.4606 2401.4201 0.0000 0.0000 52101.1506 -109558.5978 299.4260 -161659.7483 -109204.9148 299.3688 -140.5729 -112.2073 762547.4753 13.3735 13.4174 PRESSURE: 3877800 464.33 50.7305 64.4335 50.7304 -33.6585 -18.3586 64.4336 -18.3589 -383.221 GPRESSURE: 3877800 433.99 168.244 17.3429 -26.0406 37.891 45.7705 191.557 -27.6029 -320.636 PRESSAVG: 3877800 46.8283 -55.49 -10.4401 -55.49 -42.4047 -9.65787 -10.4401 -9.65791 -15.2338 GPRESSAVG: 3877800 48.0543 -56.0931 -9.12202 -54.7986 -44.2796 -8.60499 -8.86696 -9.58467 -14.0726 TIMING: 3877800 CPU: 12580.3, 0.00313179/step Wall: 12580.3, 0.00313179/step, 0.97625 hours remaining, 234.222656 MB of memory in use. ENERGY: 3877800 3939.2710 20454.4480 14446.3854 230.6699 -203063.2118 2533.9637 0.0000 0.0000 51901.5107 -109556.9631 298.2787 -161458.4737 -109202.1326 299.1283 15.8168 50.4151 761123.6831 -3.6034 -3.4327 PRESSURE: 3878000 247.62 61.5999 119.228 61.601 -182.711 36.4887 119.227 36.4895 445.085 GPRESSURE: 3878000 312.303 141.061 116.701 -39.6647 -169.507 -52.1328 160.48 44.9018 447.794 PRESSAVG: 3878000 47.6265 -28.1085 46.446 -28.1085 -8.61484 -25.9836 46.4459 -25.9836 6.18726 GPRESSAVG: 3878000 47.3725 -27.4849 43.5688 -28.3595 -8.09102 -26.5041 47.4401 -23.8739 4.95308 TIMING: 3878000 CPU: 12580.9, 0.00309902/step Wall: 12580.9, 0.00309902/step, 0.965861 hours remaining, 234.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3878000 3919.5821 20668.6348 14358.9200 258.6464 -203389.8984 2621.7757 0.0000 0.0000 51942.0968 -109620.2426 298.5119 -161562.3394 -109267.9652 298.8077 169.9980 196.8634 761525.0745 15.0663 14.7449 PRESSURE: 3878200 -283.625 55.1397 91.0185 55.1396 286.254 -124.066 91.0186 -124.065 -171.244 GPRESSURE: 3878200 -240.892 -27.1384 128.06 91.0578 282.889 -41.9396 73.7848 -226.981 -111.011 PRESSAVG: 3878200 -14.5289 -22.5039 -4.36949 -22.5038 1.73331 11.132 -4.36948 11.1319 -7.5753 GPRESSAVG: 3878200 -15.1344 -21.3926 -4.1358 -22.0166 1.88453 11.6474 -5.42423 9.88016 -7.21696 TIMING: 3878200 CPU: 12581.6, 0.00312999/step Wall: 12581.6, 0.00312999/step, 0.975339 hours remaining, 234.222656 MB of memory in use. ENERGY: 3878200 3934.1175 20510.9066 14396.6501 248.9252 -203136.1077 2575.5080 0.0000 0.0000 51964.7121 -109505.2882 298.6419 -161470.0003 -109146.4079 299.1878 -56.2049 -23.0048 763277.1845 -6.7903 -6.8223 PRESSURE: 3878400 -287.837 -126.012 38.0273 -126.012 -16.6612 79.9745 38.028 79.9758 221.357 GPRESSURE: 3878400 -186.662 -3.80916 47.7505 -58.147 -15.6252 26.0525 88.6737 135.519 219.275 PRESSAVG: 3878400 38.8749 22.3583 -0.549746 22.3583 5.95548 -26.3094 -0.549764 -26.3095 9.07593 GPRESSAVG: 3878400 37.9192 22.0046 0.980651 23.4308 5.77846 -26.661 0.654923 -28.7165 10.548 TIMING: 3878400 CPU: 12582.2, 0.00314574/step Wall: 12582.2, 0.00314574/step, 0.980073 hours remaining, 234.222656 MB of memory in use. ENERGY: 3878400 3890.1088 20465.4482 14412.8076 255.2020 -203340.8673 2482.7685 0.0000 0.0000 52141.3080 -109693.2244 299.6568 -161834.5324 -109333.9798 299.2715 -27.7139 5.6625 763440.9495 17.9688 18.0819 PRESSURE: 3878600 -105.504 114.055 60.4892 114.055 -119.513 104.482 60.489 104.482 147.312 GPRESSURE: 3878600 -29.1777 183.956 5.29961 202.22 -90.9985 120.85 -61.883 175.449 139.754 PRESSAVG: 3878600 38.6705 18.4262 -1.74791 18.4262 -28.504 15.0846 -1.74793 15.0846 17.8117 GPRESSAVG: 3878600 39.8741 19.0753 -1.88852 16.3171 -28.5149 16.2184 -2.3477 17.7127 15.9531 TIMING: 3878600 CPU: 12582.8, 0.00312542/step Wall: 12582.8, 0.00312542/step, 0.97357 hours remaining, 234.230469 MB of memory in use. ENERGY: 3878600 3974.5165 20527.0463 14437.0835 237.7847 -203459.3578 2756.2553 0.0000 0.0000 51857.7701 -109668.9015 298.0273 -161526.6716 -109308.4388 298.7613 -25.9014 6.5259 762676.2532 9.3261 9.1041 PRESSURE: 3878800 18.9627 126.963 56.2394 126.962 -55.4609 291.086 56.2404 291.087 -214.228 GPRESSURE: 3878800 143.33 142.017 88.8954 -11.0582 -119.865 262.018 102.417 163.131 -185.802 PRESSAVG: 3878800 42.6744 28.0772 -36.3002 28.0772 -73.7835 71.2829 -36.3002 71.2828 -34.4977 GPRESSAVG: 3878800 42.8158 26.4376 -38.1485 28.0569 -74.3669 72.0722 -36.8138 70.3595 -33.5613 TIMING: 3878800 CPU: 12583.5, 0.00314214/step Wall: 12583.5, 0.00314214/step, 0.978601 hours remaining, 234.257812 MB of memory in use. ENERGY: 3878800 3986.3279 20508.7448 14425.1601 262.6543 -203631.4151 2835.7698 0.0000 0.0000 52114.0586 -109498.6997 299.5002 -161612.7583 -109144.5975 298.7455 -83.5753 -54.1123 760960.1768 -21.8689 -21.7041 PRESSURE: 3879000 -31.6168 46.2504 14.5192 46.2515 -288.962 243.687 14.5202 243.686 -86.2578 GPRESSURE: 3879000 -80.9815 -51.3086 -9.05028 53.9148 -266.239 269.821 -81.2098 235.683 25.0624 PRESSAVG: 3879000 55.8359 -11.127 -33.3329 -11.127 -44.6785 30.2553 -33.3328 30.2553 -22.4239 GPRESSAVG: 3879000 55.2711 -11.5519 -33.1881 -10.0107 -44.1176 28.7464 -33.2561 31.2949 -22.4125 TIMING: 3879000 CPU: 12584.1, 0.00312171/step Wall: 12584.1, 0.00312171/step, 0.972067 hours remaining, 234.261719 MB of memory in use. ENERGY: 3879000 3961.2524 20602.0960 14442.6407 235.6619 -203430.4080 2555.5584 0.0000 0.0000 52114.2699 -109518.9288 299.5014 -161633.1987 -109157.0939 298.8021 -135.6123 -107.3860 762901.7152 -3.7555 -3.7530 PRESSURE: 3879200 229.665 85.1338 -180.642 85.1332 -206.395 7.34429 -180.642 7.34329 14.6382 GPRESSURE: 3879200 271.508 211.704 -194.695 155.76 -226.717 66.4971 -127.835 -6.0293 89.053 PRESSAVG: 3879200 -5.35258 -28.6546 -6.96016 -28.6546 -11.0183 56.0916 -6.96018 56.0916 -7.48072 GPRESSAVG: 3879200 -6.46811 -27.5373 -6.98788 -29.3913 -10.7229 56.7737 -4.07563 54.9398 -6.25451 TIMING: 3879200 CPU: 12584.7, 0.00312658/step Wall: 12584.7, 0.00312658/step, 0.97341 hours remaining, 234.261719 MB of memory in use. ENERGY: 3879200 4027.6010 20409.6688 14344.6187 241.4164 -203356.2112 2517.7671 0.0000 0.0000 52119.1612 -109695.9780 299.5295 -161815.1391 -109325.6994 299.0796 12.6361 44.6147 762294.0618 -7.9505 -7.8152 PRESSURE: 3879400 204.476 -11.2321 58.3258 -11.2317 -27.6527 306.515 58.3259 306.516 -119.417 GPRESSURE: 3879400 240.223 93.4247 170.16 -90.0062 -34.379 237.047 17.1394 160.263 -49.0871 PRESSAVG: 3879400 50.5972 -25.6033 -56.8212 -25.6033 -35.4425 -42.1446 -56.8212 -42.1446 -8.75746 GPRESSAVG: 3879400 50.6483 -24.7413 -55.7394 -24.6628 -35.3518 -42.1422 -58.6844 -42.6494 -8.80092 TIMING: 3879400 CPU: 12585.3, 0.00314746/step Wall: 12585.3, 0.00314746/step, 0.979735 hours remaining, 234.261719 MB of memory in use. ENERGY: 3879400 3929.7073 20445.4855 14447.7986 250.1014 -203133.7559 2404.9928 0.0000 0.0000 51996.7436 -109658.9266 298.8260 -161655.6703 -109301.3059 299.0141 19.1354 52.2522 761112.0940 2.1324 2.1652 PRESSURE: 3879600 -131.788 -47.9798 188.7 -47.9795 -214.488 54.844 188.7 54.8438 90.9205 GPRESSURE: 3879600 -57.2701 -37.4399 160.572 -66.6547 -107.737 86.6106 130.941 102.343 -1.39491 PRESSAVG: 3879600 34.7532 -22.2701 -8.39418 -22.2701 -43.8461 8.38368 -8.39419 8.3836 -24.3499 GPRESSAVG: 3879600 35.5962 -24.0159 -9.90197 -22.0887 -43.0927 8.3687 -7.96393 8.97569 -26.5277 TIMING: 3879600 CPU: 12586, 0.00314041/step Wall: 12586, 0.00314041/step, 0.977365 hours remaining, 234.265625 MB of memory in use. ENERGY: 3879600 4037.3903 20665.7294 14507.0064 258.3124 -203146.8161 2302.2398 0.0000 0.0000 51746.1406 -109629.9971 297.3858 -161376.1378 -109267.8782 298.4085 -85.1182 -55.4674 761643.9317 -11.1476 -11.3414 PRESSURE: 3879800 90.5139 -96.8804 -139.169 -96.8798 136.577 45.5862 -139.168 45.5856 24.4383 GPRESSURE: 3879800 140.728 20.6084 -232.412 -72.1046 170.313 127.987 -137.28 72.0645 18.0165 PRESSAVG: 3879800 47.6086 -40.5278 -17.5598 -40.5278 -2.96645 -12.0076 -17.5598 -12.0076 31.8753 GPRESSAVG: 3879800 47.0916 -41.8176 -15.3306 -40.2159 -4.88604 -12.7279 -20.3921 -11.3974 34.1122 TIMING: 3879800 CPU: 12586.6, 0.00314332/step Wall: 12586.6, 0.00314332/step, 0.978095 hours remaining, 234.265625 MB of memory in use. ENERGY: 3879800 3966.4098 20465.5470 14500.5229 253.1199 -203668.7189 2687.2379 0.0000 0.0000 51927.8488 -109868.0327 298.4301 -161795.8815 -109502.6871 298.3552 83.8429 109.6861 759162.6976 25.5058 25.4393 PRESSURE: 3880000 158.211 32.0573 -14.5549 32.0574 69.3634 98.2666 -14.5545 98.2669 -144.524 GPRESSURE: 3880000 232.314 53.6808 -62.1199 92.5482 23.4632 40.4499 16.8165 35.8344 -67.2477 PRESSAVG: 3880000 47.708 -34.7442 16.5058 -34.7442 -5.41669 -6.86296 16.5058 -6.86303 -11.4804 GPRESSAVG: 3880000 47.8309 -34.265 15.9291 -32.1475 -5.91875 -4.81137 19.6643 -7.578 -11.5781 TIMING: 3880000 CPU: 12587.2, 0.00312572/step Wall: 12587.2, 0.00312572/step, 0.972445 hours remaining, 234.265625 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: 3880000 4038.4368 20644.4067 14413.4347 235.2660 -203428.1466 2450.5617 0.0000 0.0000 51637.8086 -110008.2321 296.7632 -161646.0407 -109644.0852 297.9973 27.6834 62.8431 760399.0751 10.2703 10.1113 PRESSURE: 3880200 -245.625 215.026 -53.7624 215.026 -210.368 -309.027 -53.7635 -309.028 -43.193 GPRESSURE: 3880200 -171.108 126.373 -21.101 261.568 -124.186 -221.161 -95.3573 -203.391 -109.959 PRESSAVG: 3880200 -23.0049 33.2165 40.7586 33.2166 10.3129 -14.3181 40.7586 -14.3181 15.2857 GPRESSAVG: 3880200 -23.2813 34.7408 38.7176 30.9299 12.0934 -13.9181 40.014 -16.8485 14.2438 TIMING: 3880200 CPU: 12587.8, 0.00313595/step Wall: 12587.8, 0.00313595/step, 0.975454 hours remaining, 234.269531 MB of memory in use. ENERGY: 3880200 3948.7102 20456.5650 14465.0806 232.2101 -203420.0147 2503.6965 0.0000 0.0000 51915.1437 -109898.6085 298.3570 -161813.7522 -109538.4936 297.7347 -166.3950 -135.0840 763793.1933 0.8645 1.0186 LDB: ============= START OF LOAD BALANCING ============== 12600.3 LDB: ============== END OF LOAD BALANCING =============== 12600.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12600.3 LDB: ============= START OF LOAD BALANCING ============== 12600.6 LDB: Largest compute 7036 load 0.031165 is 15.9% of average load 0.195540 LDB: Average compute 0.004383 is 2.2% of average load 0.195540 LDB: TIME 12600.6 LOAD: AVG 0.19554 MAX 0.215707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.27 MB LDB: TIME 12600.6 LOAD: AVG 0.19554 MAX 0.215707 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 12600.6 LOAD: AVG 0.19554 MAX 0.215707 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 12600.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12600.6 PRESSURE: 3880400 -270.755 16.1035 313.363 16.1027 -159.071 194.189 313.363 194.189 -303.556 GPRESSURE: 3880400 -209.396 0.0883116 297.538 -56.3858 -72.292 167.045 159.177 156.748 -363.729 PRESSAVG: 3880400 48.352 24.0877 -38.4232 24.0877 -31.7339 31.4541 -38.4232 31.454 6.32124 GPRESSAVG: 3880400 49.0402 21.8362 -36.5031 24.2114 -33.4736 31.7368 -39.8457 33.3423 7.29129 TIMING: 3880400 CPU: 12588.5, 0.00318885/step Wall: 12588.5, 0.00318885/step, 0.991733 hours remaining, 235.273438 MB of memory in use. ENERGY: 3880400 4005.3549 20470.9440 14396.6605 227.3751 -203144.7377 2511.6401 0.0000 0.0000 51712.8308 -109819.9322 297.1943 -161532.7631 -109460.0947 298.1260 -244.4608 -215.1390 763492.0578 7.6465 7.6193 PRESSURE: 3880600 508.369 7.21335 101.944 7.21333 22.4728 -195.462 101.944 -195.462 267.876 GPRESSURE: 3880600 563.509 49.3207 238.549 37.2866 109.017 -169.748 -13.7042 -187.154 220.702 PRESSAVG: 3880600 32.4209 -22.6823 7.86404 -22.6823 -25.3765 11.8452 7.86407 11.8451 -24.8142 GPRESSAVG: 3880600 32.1689 -20.0459 7.44464 -21.7377 -24.4252 9.31415 7.46922 11.6042 -25.8184 TIMING: 3880600 CPU: 12589.1, 0.00310622/step Wall: 12589.1, 0.00310622/step, 0.965863 hours remaining, 235.273438 MB of memory in use. ENERGY: 3880600 3945.7079 20421.5941 14461.4319 237.6861 -203334.4525 2666.4384 0.0000 0.0000 51914.3077 -109687.2865 298.3522 -161601.5942 -109331.1084 298.5262 266.2392 297.7426 761716.6105 -5.9233 -6.0249 PRESSURE: 3880800 -350.762 -125.257 -215.719 -125.258 -224.136 -116.264 -215.719 -116.264 158.847 GPRESSURE: 3880800 -332.315 -143.892 -264.712 -138.426 -118.976 -162.525 -64.6433 20.0785 140.084 PRESSAVG: 3880800 46.4212 -18.4748 20.6709 -18.4748 -41.1619 9.59599 20.6709 9.5959 5.13334 GPRESSAVG: 3880800 46.5673 -18.0373 19.7887 -17.8422 -41.2791 11.5307 23.6638 9.9069 5.59706 TIMING: 3880800 CPU: 12589.7, 0.00311518/step Wall: 12589.7, 0.00311518/step, 0.968476 hours remaining, 235.273438 MB of memory in use. ENERGY: 3880800 3926.2375 20415.3139 14455.7792 247.2577 -203320.2272 2371.5462 0.0000 0.0000 51968.8985 -109935.1943 298.6660 -161904.0928 -109569.6385 298.1374 -138.6838 -103.7357 760894.8139 3.4642 3.6284 PRESSURE: 3881000 103.65 43.4764 55.0506 43.4758 446.118 97.4174 55.0503 97.4174 470.374 GPRESSURE: 3881000 214.858 -48.7656 -74.7709 -42.0122 424.772 24.7644 148.531 120.778 464.798 PRESSAVG: 3881000 16.4317 17.0247 9.82243 17.0247 -8.44199 1.96301 9.82245 1.96304 -9.17912 GPRESSAVG: 3881000 17.0404 16.2422 11.1627 15.0285 -8.87555 0.622099 8.96828 2.14321 -9.06766 TIMING: 3881000 CPU: 12590.3, 0.00312269/step Wall: 12590.3, 0.00312269/step, 0.970636 hours remaining, 235.273438 MB of memory in use. ENERGY: 3881000 3965.4383 20452.2583 14433.4904 228.8321 -203922.5511 2901.8989 0.0000 0.0000 52042.4807 -109898.1525 299.0889 -161940.6332 -109539.7472 298.3795 340.0475 368.1425 760024.3746 -0.3965 -0.3009 PRESSURE: 3881200 30.1085 20.9569 139.782 20.9567 -110.818 -253.256 139.781 -253.256 81.8113 GPRESSURE: 3881200 59.7842 23.7286 164.279 -25.5244 -17.9896 -277.409 121.814 -49.1692 24.025 PRESSAVG: 3881200 41.2955 -20.4618 65.0628 -20.4619 -9.19886 20.8755 65.0627 20.8755 -8.77884 GPRESSAVG: 3881200 41.2494 -20.6794 64.2252 -18.8896 -9.14613 20.0208 64.7633 21.4435 -8.2632 TIMING: 3881200 CPU: 12591, 0.00311221/step Wall: 12591, 0.00311221/step, 0.967205 hours remaining, 235.273438 MB of memory in use. ENERGY: 3881200 3954.6157 20512.2213 14447.3204 251.4611 -203692.5829 2669.4165 0.0000 0.0000 51979.4375 -109878.1103 298.7265 -161857.5478 -109522.4676 298.4158 0.3672 21.9399 760602.0790 7.7726 7.9467 PRESSURE: 3881400 -44.5449 -22.4773 248.659 -22.477 -281.829 31.1609 248.659 31.1618 297.835 GPRESSURE: 3881400 -31.1418 -38.1587 215.057 42.827 -204.671 116.806 170.072 74.4313 274.366 PRESSAVG: 3881400 76.8443 -15.3416 30.8252 -15.3415 -74.336 43.0453 30.8252 43.0452 14.9349 GPRESSAVG: 3881400 78.0862 -16.6499 29.9637 -15.4868 -74.0715 43.1787 30.6714 43.2196 13.5952 TIMING: 3881400 CPU: 12591.6, 0.00310828/step Wall: 12591.6, 0.00310829/step, 0.965813 hours remaining, 235.273438 MB of memory in use. ENERGY: 3881400 3941.6364 20530.6949 14389.8326 241.0283 -203875.3679 2690.0791 0.0000 0.0000 52109.1349 -109972.9617 299.4719 -162082.0965 -109603.6200 297.9647 -9.5130 12.8510 761515.0696 5.8144 5.8700 PRESSURE: 3881600 199.688 165.452 -97.1168 165.452 -91.9466 118.842 -97.117 118.842 175.683 GPRESSURE: 3881600 280.513 43.6526 2.91275 164.538 -81.7925 68.5256 -168.432 71.8491 167.115 PRESSAVG: 3881600 51.813 -30.013 -17.2336 -30.0129 -19.5202 -8.40458 -17.2336 -8.40458 15.598 GPRESSAVG: 3881600 50.7495 -25.8503 -14.8174 -33.5161 -19.952 -8.77647 -18.1888 -6.13791 16.849 TIMING: 3881600 CPU: 12592.2, 0.00311826/step Wall: 12592.2, 0.00311826/step, 0.968741 hours remaining, 235.273438 MB of memory in use. ENERGY: 3881600 3996.4416 20438.4326 14450.7733 256.1262 -203759.1229 2804.1081 0.0000 0.0000 51887.8142 -109925.4269 298.2000 -161813.2412 -109577.7568 298.1968 94.4750 121.9451 760643.9104 15.9636 15.8821 PRESSURE: 3881800 373.235 -8.9943 -171.146 -8.99354 109.21 -75.1425 -171.146 -75.1415 99.5468 GPRESSURE: 3881800 392.849 111.817 -259.756 -45.0852 205.385 -82.3491 33.3725 -156.335 73.5856 PRESSAVG: 3881800 18.3172 -15.2056 22.0012 -15.2056 -13.2658 2.25639 22.0011 2.25638 -14.8855 GPRESSAVG: 3881800 17.3344 -16.3543 20.2963 -14.0479 -12.7342 1.65216 22.5776 0.415343 -14.3973 TIMING: 3881800 CPU: 12592.8, 0.0031181/step Wall: 12592.8, 0.0031181/step, 0.968517 hours remaining, 235.273438 MB of memory in use. ENERGY: 3881800 3950.8771 20546.5158 14453.6617 240.4698 -203855.6672 2922.9735 0.0000 0.0000 51860.6820 -109880.4874 298.0441 -161741.1693 -109523.3001 298.3430 193.9972 223.9399 759195.5514 -3.2780 -3.2657 PRESSURE: 3882000 159.246 -141.265 -118.015 -141.264 -221.823 -298.162 -118.014 -298.163 134.722 GPRESSURE: 3882000 135.518 -262.356 -160.59 -108.213 -130.099 -302.233 -150.6 -266.511 160.393 PRESSAVG: 3882000 51.7179 -30.4403 19.8436 -30.4403 -24.2325 -50.7601 19.8436 -50.7601 5.70951 GPRESSAVG: 3882000 52.7673 -29.9384 19.3528 -30.3292 -23.9644 -49.6068 19.4163 -50.1639 4.42237 TIMING: 3882000 CPU: 12593.5, 0.00311444/step Wall: 12593.5, 0.00311444/step, 0.967206 hours remaining, 235.273438 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: 3882000 3949.6563 20485.7209 14458.8191 227.0713 -204118.3713 3019.3332 0.0000 0.0000 52069.3686 -109908.4019 299.2434 -161977.7705 -109548.5573 298.6055 24.0483 55.2706 759344.1428 11.0650 11.0751 PRESSURE: 3882200 -31.8123 27.8515 -5.7056 27.8508 -252.509 362.486 -5.70509 362.486 350.248 GPRESSURE: 3882200 21.9034 63.3626 -73.5486 -29.1151 -212.537 361.684 -37.9837 377.112 360.726 PRESSAVG: 3882200 4.35641 39.3126 -25.4754 39.3126 -20.0931 23.7652 -25.4754 23.7652 14.6678 GPRESSAVG: 3882200 4.87098 37.5941 -23.8576 38.3149 -21.3199 24.5097 -27.0647 24.3708 15.1365 TIMING: 3882200 CPU: 12594.1, 0.00312562/step Wall: 12594.1, 0.00312563/step, 0.970507 hours remaining, 235.273438 MB of memory in use. ENERGY: 3882200 3919.4388 20340.7820 14383.9340 259.2864 -203411.8702 2564.1746 0.0000 0.0000 52162.2126 -109782.0419 299.7770 -161944.2544 -109408.9067 298.4246 21.9754 56.6975 761168.7410 -0.3563 -0.4375 PRESSURE: 3882400 -159.127 23.8344 122.327 23.8343 -89.4498 5.2174 122.328 5.21713 -107.893 GPRESSURE: 3882400 -103.811 22.9318 41.3603 -2.28702 -45.2811 -30.2608 164.32 111.943 -120.862 PRESSAVG: 3882400 -3.81229 6.06436 46.8451 6.06435 8.46565 14.7178 46.8451 14.7177 -11.2836 GPRESSAVG: 3882400 -5.65581 7.0322 45.5328 8.1732 8.73543 14.4742 49.4004 13.8154 -9.89149 TIMING: 3882400 CPU: 12594.7, 0.00314898/step Wall: 12594.7, 0.00314898/step, 0.977583 hours remaining, 235.273438 MB of memory in use. ENERGY: 3882400 3980.9704 20521.5965 14438.5335 253.6804 -203377.8138 2530.9051 0.0000 0.0000 51836.2236 -109815.9042 297.9035 -161652.1278 -109461.7513 298.7415 -118.8233 -89.9847 760552.3180 -2.2101 -2.2706 PRESSURE: 3882600 44.4383 68.5405 105.969 68.5391 -73.7771 -196.071 105.969 -196.072 43.0628 GPRESSURE: 3882600 55.1581 35.0237 192.735 58.9817 -30.8435 -303.209 88.4118 -32.8996 64.7638 PRESSAVG: 3882600 -6.28907 -23.9642 19.5268 -23.9641 34.959 -57.615 19.5268 -57.6152 17.1369 GPRESSAVG: 3882600 -6.91344 -22.9839 18.5308 -25.7286 35.7327 -57.6978 20.3453 -58.6637 17.1955 TIMING: 3882600 CPU: 12595.3, 0.00312849/step Wall: 12595.3, 0.00312849/step, 0.971049 hours remaining, 235.273438 MB of memory in use. ENERGY: 3882600 3979.5979 20509.5214 14441.7692 246.7206 -203515.4341 2446.3384 0.0000 0.0000 51867.7572 -110023.7294 298.0847 -161891.4866 -109668.3653 297.8175 4.5747 29.6928 759661.5269 15.2689 15.3382 PRESSURE: 3882800 53.755 43.746 -23.7476 43.7468 -100.877 153.905 -23.748 153.905 168.367 GPRESSURE: 3882800 86.1677 21.726 102.714 43.0211 -119.915 194.536 18.3863 118.553 214.346 PRESSAVG: 3882800 46.5948 8.82305 41.9927 8.82301 -26.1671 3.43187 41.9927 3.43194 18.0358 GPRESSAVG: 3882800 48.0889 7.47263 43.1085 10.0234 -28.0012 3.49165 42.1545 4.29304 17.8252 TIMING: 3882800 CPU: 12596, 0.00312308/step Wall: 12596, 0.00312308/step, 0.969196 hours remaining, 235.273438 MB of memory in use. ENERGY: 3882800 3949.3632 20538.0078 14445.7952 243.9458 -203740.7514 2538.8515 0.0000 0.0000 51997.3567 -110027.4313 298.8295 -162024.7879 -109664.7831 298.5098 40.4150 60.1995 760672.5401 12.8212 12.6376 PRESSURE: 3883000 95.6759 30.1747 106.737 30.1752 -184.312 132.714 106.736 132.714 -86.4802 GPRESSURE: 3883000 93.1751 15.0883 55.6138 50.0981 -30.8839 117.593 92.2721 18.0552 -149.655 PRESSAVG: 3883000 61.8515 8.90817 51.8364 8.90817 -35.5357 84.223 51.8363 84.2229 -6.11687 GPRESSAVG: 3883000 60.8527 9.293 53.0949 7.95495 -34.2293 85.0557 50.9415 81.1062 -6.15082 TIMING: 3883000 CPU: 12596.6, 0.00314255/step Wall: 12596.6, 0.00314255/step, 0.975065 hours remaining, 235.273438 MB of memory in use. ENERGY: 3883000 3983.9039 20606.2985 14398.0823 234.4017 -203984.9898 2874.5058 0.0000 0.0000 51990.5034 -109897.2942 298.7901 -161887.7976 -109542.2850 298.3778 -58.3720 -29.1214 761975.6529 6.7330 6.8242 PRESSURE: 3883200 85.0294 99.1741 -137.831 99.1744 -188.726 -163.936 -137.831 -163.936 -43.7112 GPRESSURE: 3883200 75.7603 105.105 -121.927 11.0741 -131.382 -114.727 -27.1166 -39.9759 -11.2633 PRESSAVG: 3883200 52.5597 -24.5563 14.4095 -24.5562 -44.2143 -20.7784 14.4094 -20.7784 -19.4746 GPRESSAVG: 3883200 52.1609 -23.7961 14.4297 -24.3046 -44.5081 -22.7573 14.8386 -17.9752 -19.2235 TIMING: 3883200 CPU: 12597.2, 0.00313338/step Wall: 12597.2, 0.00313338/step, 0.972043 hours remaining, 235.273438 MB of memory in use. ENERGY: 3883200 3993.5917 20724.5482 14349.0356 230.7847 -203845.6841 2833.1218 0.0000 0.0000 51769.5481 -109945.0539 297.5203 -161714.6021 -109599.0172 298.3068 -49.1360 -22.2951 760953.2830 -3.7097 -3.8569 PRESSURE: 3883400 84.8387 75.0195 -35.1235 75.0194 36.1718 -311.329 -35.1238 -311.328 55.4402 GPRESSURE: 3883400 170.804 30.0377 15.3083 45.653 89.6416 -296.668 -87.4696 -196.018 5.5834 PRESSAVG: 3883400 43.9806 -27.4821 1.17683 -27.4821 -30.7657 -6.57579 1.17682 -6.57589 -6.27898 GPRESSAVG: 3883400 44.2451 -29.7596 -0.153967 -26.5551 -30.6758 -5.79298 0.59783 -5.24035 -6.7431 TIMING: 3883400 CPU: 12597.8, 0.00312632/step Wall: 12597.8, 0.00312633/step, 0.969682 hours remaining, 235.273438 MB of memory in use. ENERGY: 3883400 4014.8010 20359.2514 14384.6544 268.2954 -203506.9149 2629.4705 0.0000 0.0000 51942.8400 -109907.6022 298.5162 -161850.4422 -109539.7649 297.8739 58.8169 88.6763 759608.2757 2.3120 2.2754 PRESSURE: 3883600 -172.07 -263.169 -37.4181 -263.168 -4.91569 -135.186 -37.4185 -135.186 -29.4779 GPRESSURE: 3883600 -59.3736 -153.583 1.44103 -155.261 -7.96643 -154.299 -53.4675 65.5577 -50.727 PRESSAVG: 3883600 67.4943 -92.4877 0.172771 -92.4877 -18.2826 23.996 0.172732 23.9959 12.0488 GPRESSAVG: 3883600 67.538 -89.0918 0.632529 -93.4293 -18.6688 24.2946 1.78417 21.1673 12.5816 TIMING: 3883600 CPU: 12598.5, 0.00311499/step Wall: 12598.5, 0.00311499/step, 0.965994 hours remaining, 235.273438 MB of memory in use. ENERGY: 3883600 4055.0672 20387.9020 14392.0293 239.9125 -203820.5702 2793.1945 0.0000 0.0000 52136.4044 -109816.0604 299.6286 -161952.4648 -109455.1960 298.8353 -68.8211 -39.3557 759103.3300 20.4202 20.4836 PRESSURE: 3883800 75.7193 35.3493 -215.786 35.3501 169.647 284.758 -215.787 284.759 12.5904 GPRESSURE: 3883800 40.5381 31.4645 -154.012 30.522 189.835 195.968 -268.224 198.38 116.098 PRESSAVG: 3883800 -61.1524 -18.5803 -16.4223 -18.5803 15.1913 1.27041 -16.4224 1.27041 5.42553 GPRESSAVG: 3883800 -60.4467 -19.5892 -16.4655 -16.2935 15.0804 0.295865 -16.8912 0.892409 4.90331 TIMING: 3883800 CPU: 12599.1, 0.00310052/step Wall: 12599.1, 0.00310052/step, 0.961334 hours remaining, 235.273438 MB of memory in use. ENERGY: 3883800 4042.6306 20457.3596 14529.5786 241.4845 -203522.2150 2527.2295 0.0000 0.0000 51852.8484 -109871.0838 297.9990 -161723.9323 -109516.7531 298.6689 85.9854 115.4904 757935.5336 -13.5118 -13.4877 PRESSURE: 3884000 30.208 -156.424 396.938 -156.425 -70.1364 -49.1772 396.938 -49.1772 378.191 GPRESSURE: 3884000 102.972 -120.898 328.196 -204.63 -66.4637 -39.0794 261.527 -121.981 378.481 PRESSAVG: 3884000 79.8046 -51.0232 28.2493 -51.0232 -37.6117 -4.77709 28.2493 -4.77699 -4.41218 GPRESSAVG: 3884000 79.5939 -50.6474 27.5589 -52.3075 -38.1231 -2.44398 27.3542 -6.61447 -3.39501 TIMING: 3884000 CPU: 12599.7, 0.00310948/step Wall: 12599.7, 0.00310948/step, 0.963938 hours remaining, 235.273438 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: 3884000 3920.4841 20374.6979 14501.7367 261.7960 -203774.7735 2874.9304 0.0000 0.0000 52150.2096 -109690.9190 299.7080 -161841.1285 -109331.3578 298.8339 112.7541 138.3297 759035.2328 12.5936 12.6919 PRESSURE: 3884200 -311.324 -70.9004 -92.6603 -70.8999 -102.508 -175.886 -92.6596 -175.886 -101.039 GPRESSURE: 3884200 -205.011 -152.755 -14.1272 -60.057 -99.7101 -159.131 -25.604 -228.62 -110.2 PRESSAVG: 3884200 -22.372 6.87789 13.4379 6.87787 26.0505 -18.4678 13.438 -18.4679 1.6091 GPRESSAVG: 3884200 -21.4463 4.92356 14.8243 8.1666 25.2096 -20.3905 14.3531 -15.8125 1.28227 TIMING: 3884200 CPU: 12600.3, 0.00313046/step Wall: 12600.3, 0.00313046/step, 0.970269 hours remaining, 235.273438 MB of memory in use. ENERGY: 3884200 4116.2212 20446.3943 14438.1078 252.2673 -203320.8279 2554.1574 0.0000 0.0000 51990.8055 -109522.8744 298.7919 -161513.6799 -109161.3852 299.5029 -171.6236 -138.3068 761200.5216 1.7625 1.6818 LDB: ============= START OF LOAD BALANCING ============== 12612.8 LDB: ============== END OF LOAD BALANCING =============== 12612.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12612.8 LDB: ============= START OF LOAD BALANCING ============== 12613.1 LDB: Largest compute 7049 load 0.031113 is 15.9% of average load 0.195515 LDB: Average compute 0.004400 is 2.3% of average load 0.195515 LDB: TIME 12613.1 LOAD: AVG 0.195515 MAX 0.216072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.41 MB LDB: TIME 12613.1 LOAD: AVG 0.195515 MAX 0.216072 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 12613.1 LOAD: AVG 0.195515 MAX 0.216072 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 12613.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12613.1 PRESSURE: 3884400 51.4112 49.1438 103.127 49.1439 109.706 125.842 103.128 125.843 -87.0701 GPRESSURE: 3884400 72.8556 44.0873 25.865 53.7791 231.649 35.4071 158.69 174.103 -157.376 PRESSAVG: 3884400 6.83761 -23.65 -13.8334 -23.65 25.7922 40.589 -13.8334 40.589 -9.47782 GPRESSAVG: 3884400 4.69936 -23.8295 -14.4675 -23.712 28.2995 40.5831 -14.539 40.2871 -9.99237 TIMING: 3884400 CPU: 12601, 0.00319205/step Wall: 12601, 0.00319206/step, 0.989182 hours remaining, 233.531250 MB of memory in use. ENERGY: 3884400 3945.9817 20485.1073 14515.8555 239.7891 -203466.9965 2708.5280 0.0000 0.0000 52040.5347 -109531.2003 299.0777 -161571.7350 -109165.9412 299.2549 24.6825 49.0431 758434.0018 7.7173 7.6688 PRESSURE: 3884600 -41.6499 -42.7536 53.804 -42.7531 -135.808 193.44 53.8041 193.441 -1.28828 GPRESSURE: 3884600 -102.474 -92.3783 -4.85117 -18.9845 -0.20845 193.531 36.3295 200.61 4.56442 PRESSAVG: 3884600 -27.7668 -19.7053 18.0663 -19.7052 7.1793 40.9676 18.0663 40.9675 19.1842 GPRESSAVG: 3884600 -26.7783 -16.9361 15.6281 -21.2275 6.29885 40.0575 19.8625 42.6931 19.0597 TIMING: 3884600 CPU: 12601.6, 0.00312439/step Wall: 12601.6, 0.00312439/step, 0.968039 hours remaining, 233.531250 MB of memory in use. ENERGY: 3884600 3934.8005 20519.6195 14515.8232 229.4894 -203444.4265 2604.3543 0.0000 0.0000 52200.3446 -109439.9949 299.9961 -161640.3396 -109073.8855 299.1190 -59.5820 -32.7060 760466.9513 -0.4678 -0.4733 PRESSURE: 3884800 -4.63342 -164.16 -12.9848 -164.16 -32.3216 277.032 -12.9856 277.033 188.386 GPRESSURE: 3884800 97.9247 -123.073 -127.937 -47.5896 -44.6927 336.868 -1.03677 312.536 191.846 PRESSAVG: 3884800 18.9195 -10.7526 57.6157 -10.7526 -2.64822 39.5896 57.6157 39.5896 -6.67308 GPRESSAVG: 3884800 19.5297 -11.9228 58.9147 -8.95386 -2.95685 41.2906 56.0901 39.9493 -6.94048 TIMING: 3884800 CPU: 12602.2, 0.00312194/step Wall: 12602.2, 0.00312194/step, 0.967109 hours remaining, 233.667969 MB of memory in use. ENERGY: 3884800 3880.2122 20604.5292 14543.2815 250.6822 -203230.5085 2592.6652 0.0000 0.0000 52124.0395 -109235.0986 299.5576 -161359.1382 -108873.8555 299.7725 50.4770 81.6927 760338.3727 3.1994 3.2108 PRESSURE: 3885000 91.1215 14.6473 -43.9154 14.6472 149.118 148.921 -43.9152 148.922 -421.553 GPRESSURE: 3885000 105.075 -82.5379 -76.5171 10.7624 126.379 232.004 -102.833 110.49 -320.011 PRESSAVG: 3885000 -2.17674 14.8105 11.959 14.8104 -16.4889 -24.3121 11.9591 -24.3121 -8.52211 GPRESSAVG: 3885000 -2.5743 15.2261 13.9791 14.4984 -17.5881 -24.3101 10.8713 -26.0613 -7.04996 TIMING: 3885000 CPU: 12602.8, 0.00311201/step Wall: 12602.8, 0.00311201/step, 0.963857 hours remaining, 233.667969 MB of memory in use. ENERGY: 3885000 3901.8801 20673.8906 14449.1086 244.1394 -203121.5342 2552.9042 0.0000 0.0000 52129.3049 -109170.3063 299.5878 -161299.6112 -108812.8077 300.2037 -60.4380 -29.5187 760935.4078 -9.0626 -9.0708 PRESSURE: 3885200 -9.29319 75.2711 -188.016 75.2708 163.256 -115.37 -188.016 -115.371 107.529 GPRESSURE: 3885200 -33.1036 -23.1679 -135.251 66.7144 142.125 -202.317 -167.643 -161.888 233.217 PRESSAVG: 3885200 -3.58687 -1.86477 -63.6017 -1.86471 1.15865 -35.629 -63.6017 -35.6289 6.0188 GPRESSAVG: 3885200 -4.83408 -3.18194 -64.2899 -2.97869 2.23609 -38.6507 -62.0518 -35.4157 6.31901 TIMING: 3885200 CPU: 12603.5, 0.00312776/step Wall: 12603.5, 0.00312776/step, 0.968563 hours remaining, 233.679688 MB of memory in use. ENERGY: 3885200 4033.1758 20514.6458 14454.3206 266.1868 -202923.0706 2647.6729 0.0000 0.0000 52017.4708 -108989.5978 298.9451 -161007.0687 -108631.4578 300.0851 87.1641 114.0794 762226.9473 1.1969 1.2403 PRESSURE: 3885400 49.8995 89.0473 143.198 89.0463 -140.777 105.767 143.198 105.767 34.6569 GPRESSURE: 3885400 108.595 115.525 49.5097 83.7606 -96.3197 140.109 137.267 172.168 16.3529 PRESSAVG: 3885400 10.9788 15.5253 -29.4252 15.5253 12.3756 6.67892 -29.4252 6.67881 6.36276 GPRESSAVG: 3885400 11.8228 14.9504 -29.3239 14.1246 12.6798 10.0383 -29.3545 6.50468 5.29832 TIMING: 3885400 CPU: 12604.1, 0.0031284/step Wall: 12604.1, 0.0031284/step, 0.968586 hours remaining, 233.679688 MB of memory in use. ENERGY: 3885400 4007.3763 20626.9316 14439.8949 220.2776 -203073.3938 2764.3965 0.0000 0.0000 52217.1682 -108797.3487 300.0928 -161014.5169 -108433.7749 300.0771 -18.7402 9.5427 762207.0419 9.9057 9.9336 PRESSURE: 3885600 57.9745 162.567 -182.962 162.567 3.39019 234.59 -182.962 234.59 -63.9351 GPRESSURE: 3885600 101.188 190.289 -239.867 139.624 23.412 302.445 -145.534 193.315 -53.344 PRESSAVG: 3885600 40.4371 -9.3158 0.499466 -9.3157 -66.0295 66.6707 0.499502 66.6708 -28.8051 GPRESSAVG: 3885600 40.4206 -7.9526 -1.10189 -6.42415 -65.5321 65.5001 1.21267 65.7522 -28.9511 TIMING: 3885600 CPU: 12604.7, 0.00311881/step Wall: 12604.7, 0.00311881/step, 0.965445 hours remaining, 233.750000 MB of memory in use. ENERGY: 3885600 3976.3486 20711.9656 14405.9662 235.6254 -202752.1720 2388.3804 0.0000 0.0000 52168.5968 -108865.2891 299.8136 -161033.8859 -108515.2570 300.5263 -0.8568 23.7519 762597.2411 -18.1325 -18.0209 PRESSURE: 3885800 190.259 58.561 84.5314 58.5612 -43.0441 -274.586 84.5315 -274.587 -8.88953 GPRESSURE: 3885800 81.7844 -93.5683 14.1012 125.62 7.05855 -144.076 125.129 -296.101 126.944 PRESSAVG: 3885800 -1.43318 19.2676 46.2586 19.2676 -36.9848 14.5761 46.2586 14.5761 16.1119 GPRESSAVG: 3885800 -1.3955 19.1238 48.3983 17.4125 -37.0774 15.6037 45.0558 15.9501 16.2783 TIMING: 3885800 CPU: 12605.3, 0.00312699/step Wall: 12605.3, 0.00312699/step, 0.967805 hours remaining, 233.750000 MB of memory in use. ENERGY: 3885800 4078.2360 20536.5454 14410.1679 225.2292 -203174.2816 2745.6017 0.0000 0.0000 52464.0420 -108714.4595 301.5116 -161178.5015 -108358.3739 300.5795 46.1084 71.9289 761751.2234 -7.4354 -7.3982 PRESSURE: 3886000 13.0603 -241.632 20.4093 -241.632 14.5549 -164.871 20.4086 -164.871 200.01 GPRESSURE: 3886000 -6.33975 -261.07 22.3875 -113.137 91.8553 -42.6909 -67.6782 -120.663 245.567 PRESSAVG: 3886000 18.7305 2.74449 -2.69554 2.7445 -39.0961 0.138028 -2.69557 0.138059 -8.16226 GPRESSAVG: 3886000 17.5789 1.41843 -1.76103 5.43189 -39.6783 -0.59457 -2.41127 -1.38471 -6.08267 TIMING: 3886000 CPU: 12606, 0.00312538/step Wall: 12606, 0.00312538/step, 0.967132 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3886000 3945.4844 20505.1122 14452.2705 223.2404 -202679.3458 2430.0022 0.0000 0.0000 52250.9615 -108872.2747 300.2870 -161123.2362 -108509.4517 300.6885 75.8752 110.3610 763747.9826 -9.5093 -9.3940 PRESSURE: 3886200 -158.388 -200.739 90.0635 -200.739 5.73142 18.5913 90.0633 18.5922 -219.484 GPRESSURE: 3886200 -138.446 -220.033 -22.3559 -301.292 -4.34366 -80.6044 103.768 168.232 -130.979 PRESSAVG: 3886200 58.2208 -42.0921 68.1783 -42.0921 -26.6704 -27.5262 68.1784 -27.5261 16.6658 GPRESSAVG: 3886200 57.8062 -41.5152 65.9207 -42.8531 -26.4601 -28.9523 69.1249 -27.4296 16.5348 TIMING: 3886200 CPU: 12606.6, 0.00313783/step Wall: 12606.6, 0.00313783/step, 0.970809 hours remaining, 233.750000 MB of memory in use. ENERGY: 3886200 4018.8566 20631.9423 14364.3713 256.1072 -203010.3744 2467.6738 0.0000 0.0000 52339.5809 -108931.8422 300.7963 -161271.4231 -108572.1137 300.0813 -124.0467 -91.2562 761832.7864 16.0721 15.9603 PRESSURE: 3886400 -154.24 -185.511 182.216 -185.511 -93.0034 -177.225 182.217 -177.226 -186.424 GPRESSURE: 3886400 -146.683 -59.3884 64.6414 -130.578 -31.9052 -164.586 165.387 -80.3492 -167.673 PRESSAVG: 3886400 77.5181 -49.8316 22.2957 -49.8316 -42.6785 -0.439839 22.2957 -0.439806 3.41338 GPRESSAVG: 3886400 79.1871 -49.2978 23.5314 -50.7648 -41.3432 0.403547 21.5647 1.62156 0.84398 TIMING: 3886400 CPU: 12607.2, 0.00312692/step Wall: 12607.2, 0.00312692/step, 0.967262 hours remaining, 233.750000 MB of memory in use. ENERGY: 3886400 4073.0038 20571.6082 14398.1131 240.6702 -202586.9923 2350.6640 0.0000 0.0000 52071.7039 -108881.2290 299.2568 -160952.9328 -108531.2605 299.9298 -144.5557 -115.4206 761675.6199 12.7510 12.8959 PRESSURE: 3886600 345.987 -342.693 -195.331 -342.692 19.1314 334.487 -195.331 334.487 103.892 GPRESSURE: 3886600 396.231 -257.668 -167.053 -329.839 83.2635 289.997 -131.376 285.142 92.9819 PRESSAVG: 3886600 77.5305 10.4768 53.1765 10.4769 -46.6852 13.0699 53.1765 13.07 -24.7904 GPRESSAVG: 3886600 76.9835 10.0101 53.3769 9.19834 -48.1687 13.4578 53.6897 11.3271 -23.1304 TIMING: 3886600 CPU: 12607.9, 0.00314202/step Wall: 12607.9, 0.00314202/step, 0.971756 hours remaining, 233.949219 MB of memory in use. ENERGY: 3886600 3989.0936 20620.4521 14464.1975 246.2014 -203131.8313 2660.9623 0.0000 0.0000 52164.3629 -108986.5615 299.7893 -161150.9245 -108624.7688 300.4527 156.3368 190.8254 761796.4825 2.0183 1.8948 PRESSURE: 3886800 -38.322 32.193 162.689 32.193 -188.017 95.5973 162.69 95.5974 219.593 GPRESSURE: 3886800 -3.67423 -101.101 135.792 68.0838 -198.077 109.291 176.752 119.958 285.748 PRESSAVG: 3886800 58.5878 45.0507 35.6089 45.0507 -25.6943 4.00502 35.609 4.00495 -14.0057 GPRESSAVG: 3886800 58.8373 44.349 35.4655 45.9699 -26.0719 2.29081 33.9565 5.39923 -14.1212 TIMING: 3886800 CPU: 12608.5, 0.00313118/step Wall: 12608.5, 0.00313118/step, 0.968231 hours remaining, 233.949219 MB of memory in use. ENERGY: 3886800 4034.7926 20571.9522 14406.1397 265.7394 -203142.2684 2468.4307 0.0000 0.0000 52082.9665 -109312.2472 299.3215 -161395.2137 -108947.1730 299.7565 -2.2486 27.9989 763644.7941 6.2959 6.2148 PRESSURE: 3887000 -4.99703 -126.599 87.981 -126.598 17.3539 -128.886 87.981 -128.886 259.659 GPRESSURE: 3887000 46.7241 -137.314 49.4802 14.4086 66.2171 -179.439 144.01 -179.186 256.508 PRESSAVG: 3887000 9.28141 2.86472 26.9975 2.86477 12.474 -47.2133 26.9976 -47.2133 9.52022 GPRESSAVG: 3887000 8.86875 5.95594 28.4851 1.16129 13.5684 -45.5032 26.8132 -48.5247 8.91794 TIMING: 3887000 CPU: 12609.1, 0.00312273/step Wall: 12609.1, 0.00312273/step, 0.965445 hours remaining, 233.949219 MB of memory in use. ENERGY: 3887000 4044.3507 20642.7177 14421.2141 240.0294 -202930.3430 2543.5698 0.0000 0.0000 51920.8610 -109117.6004 298.3899 -161038.4614 -108761.8784 299.4286 90.6721 123.1498 762037.4490 10.4252 10.4517 PRESSURE: 3887200 67.7337 159.159 88.7415 159.158 61.5643 -395.787 88.7415 -395.788 82.484 GPRESSURE: 3887200 173.994 1.60394 98.4034 118.179 113.13 -257.567 1.06998 -458.607 0.543291 PRESSAVG: 3887200 15.3512 -61.9891 13.7746 -61.9891 13.8497 -0.855236 13.7745 -0.855286 15.729 GPRESSAVG: 3887200 16.1125 -64.4161 10.4001 -58.794 13.4969 -0.314647 16.6663 -0.364294 14.9264 TIMING: 3887200 CPU: 12609.7, 0.00313947/step Wall: 12609.7, 0.00313947/step, 0.970446 hours remaining, 233.949219 MB of memory in use. ENERGY: 3887200 4010.5650 20406.8635 14416.0006 250.8327 -203319.3944 2737.2391 0.0000 0.0000 52247.5303 -109250.3632 300.2673 -161497.8935 -108886.9539 299.9641 70.5940 95.8892 758700.4041 14.9766 14.8452 PRESSURE: 3887400 -186.77 -17.403 99.9486 -17.4019 -227.373 -16.8759 99.949 -16.8758 94.2089 GPRESSURE: 3887400 -158.98 31.043 155.967 15.2766 -166.645 -79.9728 54.7582 101.224 65.0472 PRESSAVG: 3887400 -24.4929 -71.4964 44.4331 -71.4964 -1.4557 -18.3572 44.4331 -18.3572 10.6492 GPRESSAVG: 3887400 -25.5613 -70.8795 46.6215 -74.105 -1.8264 -19.7142 43.0015 -18.5756 11.5573 TIMING: 3887400 CPU: 12610.4, 0.00312466/step Wall: 12610.4, 0.00312465/step, 0.965692 hours remaining, 233.949219 MB of memory in use. ENERGY: 3887400 3990.4963 20659.7413 14346.5562 252.4547 -202691.0974 1983.1132 0.0000 0.0000 52142.7836 -109315.9522 299.6653 -161458.7357 -108947.5166 299.3767 -106.6447 -86.8591 760448.4522 -5.0998 -5.2768 PRESSURE: 3887600 -327.187 -198.453 107.58 -198.453 40.2879 -283.501 107.581 -283.5 -97.0932 GPRESSURE: 3887600 -371.006 -176.994 91.864 -139.604 95.6375 -298.479 185.912 -293.739 -38.8383 PRESSAVG: 3887600 10.0336 4.08865 32.3894 4.08869 -32.6498 -45.0977 32.3894 -45.0977 -3.80828 GPRESSAVG: 3887600 10.3877 3.39901 30.9792 7.35754 -33.6582 -44.823 33.1944 -43.8484 -3.37596 TIMING: 3887600 CPU: 12611, 0.00313747/step Wall: 12611, 0.00313747/step, 0.96948 hours remaining, 233.949219 MB of memory in use. ENERGY: 3887600 3987.4539 20550.3207 14352.8693 248.5824 -203440.9949 2870.8153 0.0000 0.0000 52140.1063 -109290.8471 299.6499 -161430.9534 -108917.4659 299.7610 -127.9973 -104.7357 761394.9618 -8.8082 -8.8821 PRESSURE: 3887800 63.8809 -56.8631 88.5028 -56.8629 53.6662 -143.083 88.5028 -143.083 172.306 GPRESSURE: 3887800 226.777 -74.4604 65.9235 -47.3201 25.7718 -194.574 17.1227 -210.138 134.144 PRESSAVG: 3887800 0.365427 -39.4283 30.4272 -39.4283 34.9172 -61.6586 30.4272 -61.6586 -19.7282 GPRESSAVG: 3887800 0.986781 -38.6314 30.1768 -41.5018 35.3618 -62.432 27.9753 -61.1113 -20.1113 TIMING: 3887800 CPU: 12611.6, 0.00312095/step Wall: 12611.6, 0.00312095/step, 0.964201 hours remaining, 233.949219 MB of memory in use. ENERGY: 3887800 4004.2726 20531.2051 14340.9348 252.0003 -203248.9041 2478.8389 0.0000 0.0000 52411.4546 -109230.1978 301.2093 -161641.6524 -108860.9112 300.2078 96.6177 128.8975 759671.8101 5.1848 5.4124 PRESSURE: 3888000 -296.166 -162.881 -32.9826 -162.881 -157 39.1702 -32.9822 39.171 354.663 GPRESSURE: 3888000 -163.486 -78.3717 -76.6908 -200.328 -229.073 60.2813 -91.2105 123.838 380.167 PRESSAVG: 3888000 29.676 -13.5595 -32.426 -13.5594 -37.0998 50.9482 -32.4261 50.9481 0.273061 GPRESSAVG: 3888000 29.9761 -13.2435 -32.5955 -13.2428 -37.0963 50.8388 -31.9029 51.1094 0.375276 TIMING: 3888000 CPU: 12612.2, 0.0031264/step Wall: 12612.2, 0.0031264/step, 0.965709 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3888000 3980.0241 20467.4863 14338.0707 233.5395 -203301.7358 2592.5083 0.0000 0.0000 52433.7377 -109256.3691 301.3374 -161690.1068 -108888.9896 300.3962 -32.8342 -4.1305 761622.2143 -2.3836 -2.2483 PRESSURE: 3888200 81.3694 -111.156 152.692 -111.155 -175.279 64.375 152.692 64.3746 54.6459 GPRESSURE: 3888200 133.051 -31.6138 125.375 -127.222 -213.172 119.742 235.491 95.3807 144.324 PRESSAVG: 3888200 -25.922 -47.5136 24.3608 -47.5136 18.0353 28.0728 24.3607 28.0728 -19.6575 GPRESSAVG: 3888200 -26.747 -45.7494 26.1625 -49.2652 18.5492 28.4897 26.6423 29.4951 -19.0902 TIMING: 3888200 CPU: 12612.9, 0.00312454/step Wall: 12612.9, 0.00312454/step, 0.964962 hours remaining, 234.003906 MB of memory in use. ENERGY: 3888200 3924.6795 20677.6280 14401.9900 242.0405 -203367.0489 2641.0380 0.0000 0.0000 52395.5682 -109084.1046 301.1181 -161479.6729 -108720.5409 299.9688 -13.0878 21.4008 761737.1654 -9.1814 -9.0960 LDB: ============= START OF LOAD BALANCING ============== 12625.3 LDB: ============== END OF LOAD BALANCING =============== 12625.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12625.3 LDB: ============= START OF LOAD BALANCING ============== 12625.6 LDB: Largest compute 7025 load 0.030476 is 15.6% of average load 0.195556 LDB: Average compute 0.004411 is 2.3% of average load 0.195556 LDB: TIME 12625.6 LOAD: AVG 0.195556 MAX 0.215279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.211 MB LDB: TIME 12625.6 LOAD: AVG 0.195556 MAX 0.215279 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: TIME 12625.6 LOAD: AVG 0.195556 MAX 0.215279 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: ============== END OF LOAD BALANCING =============== 12625.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12625.6 PRESSURE: 3888400 236.733 -21.866 35.8602 -21.8663 117.483 114.132 35.8608 114.132 327.111 GPRESSURE: 3888400 301.229 44.8812 56.7719 -76.6595 163.349 129.589 -9.29507 184.182 311.183 PRESSAVG: 3888400 2.28054 -20.1518 52.9984 -20.1518 4.27712 39.2321 52.9984 39.232 16.3994 GPRESSAVG: 3888400 3.22898 -20.5637 52.955 -21.2753 5.63053 39.7245 53.0181 36.2608 14.6573 TIMING: 3888400 CPU: 12613.5, 0.00319179/step Wall: 12613.5, 0.00319179/step, 0.985553 hours remaining, 234.386719 MB of memory in use. ENERGY: 3888400 3975.2271 20591.3748 14425.2258 248.1752 -203400.4309 2776.1345 0.0000 0.0000 52335.9532 -109048.3404 300.7754 -161384.2936 -108682.1913 300.4354 227.1089 258.5870 758781.3155 7.6524 7.8389 PRESSURE: 3888600 -118.375 -100.618 253.466 -100.618 -161.043 83.6174 253.467 83.6165 -381.599 GPRESSURE: 3888600 -80.3016 -32.0443 342.761 -41.714 -190.199 44.8735 81.6726 160.167 -298.889 PRESSAVG: 3888600 35.7171 0.226345 -15.914 0.226362 3.89054 44.3508 -15.914 44.3508 13.9013 GPRESSAVG: 3888600 36.9118 1.64473 -16.1283 1.93963 2.93511 42.7081 -17.3719 47.5306 14.8656 TIMING: 3888600 CPU: 12614.1, 0.00313806/step Wall: 12614.1, 0.00313806/step, 0.968789 hours remaining, 234.968750 MB of memory in use. ENERGY: 3888600 3988.0196 20689.3873 14393.4713 253.8119 -202917.1412 2250.6320 0.0000 0.0000 52260.6860 -109081.1332 300.3429 -161341.8192 -108710.5423 300.4694 -220.3392 -189.7963 759495.0827 17.8363 18.2375 PRESSURE: 3888800 135.907 -24.5644 -45.7839 -24.5647 -197.719 -143.776 -45.7836 -143.775 -99.2494 GPRESSURE: 3888800 155.61 -80.5887 -91.7258 -108.62 -110.751 -105.697 2.64702 -105.081 -130.687 PRESSAVG: 3888800 29.2936 -82.3454 24.3607 -82.3453 -48.5736 59.3077 24.3607 59.3077 -6.6091 GPRESSAVG: 3888800 27.6656 -82.738 23.8011 -84.1412 -48.1633 60.7938 23.7666 57.9217 -5.04651 TIMING: 3888800 CPU: 12614.8, 0.00312288/step Wall: 12614.8, 0.00312288/step, 0.96393 hours remaining, 235.074219 MB of memory in use. ENERGY: 3888800 4012.6323 20449.8852 14501.6604 247.5396 -202811.4917 2324.1402 0.0000 0.0000 52226.7884 -109048.8456 300.1481 -161275.6340 -108684.6617 300.6073 -53.6873 -28.6094 760843.5614 -8.6297 -8.5148 PRESSURE: 3889000 303.798 -88.2375 -46.6641 -88.238 317.867 143.135 -46.6632 143.134 -217.98 GPRESSURE: 3889000 333.41 -165.533 -17.1864 -24.6385 275.813 42.892 -59.727 152.618 -108.151 PRESSAVG: 3889000 76.4789 18.111 -45.2176 18.111 -68.2183 -19.0026 -45.2176 -19.0026 12.8966 GPRESSAVG: 3889000 77.4993 16.6761 -46.3521 19.027 -68.4416 -19.6454 -42.4271 -18.6031 11.7152 TIMING: 3889000 CPU: 12615.4, 0.00314111/step Wall: 12615.4, 0.00314111/step, 0.969383 hours remaining, 235.074219 MB of memory in use. ENERGY: 3889000 4040.9144 20602.9947 14474.6777 237.1787 -203011.3353 2541.2886 0.0000 0.0000 51999.0778 -109115.2034 298.8394 -161114.2813 -108758.1098 300.0633 134.5617 167.0238 759757.9188 7.0524 6.9243 PRESSURE: 3889200 337.634 -126.048 48.8482 -126.048 -142.276 431.206 48.8484 431.207 -7.16653 GPRESSURE: 3889200 338.128 -108.419 -9.96721 -87.8745 -106.102 415.335 20.6441 330.859 35.3418 PRESSAVG: 3889200 86.8003 -13.9147 -26.1908 -13.9147 -73.0746 -5.71321 -26.1908 -5.71319 9.01098 GPRESSAVG: 3889200 86.1419 -14.7897 -25.3445 -15.0655 -71.9448 -4.70554 -25.9285 -8.41319 9.02403 TIMING: 3889200 CPU: 12616, 0.00313287/step Wall: 12616, 0.00313287/step, 0.966664 hours remaining, 235.074219 MB of memory in use. ENERGY: 3889200 3982.5490 20635.0193 14363.2749 235.5019 -202913.9071 2327.0633 0.0000 0.0000 52291.3337 -109079.1648 300.5190 -161370.4986 -108707.3272 299.7906 62.7307 89.1229 762487.8504 7.5789 7.7404 PRESSURE: 3889400 117.7 -208.195 -44.9264 -208.195 -185.645 -176.699 -44.9265 -176.697 33.1326 GPRESSURE: 3889400 84.2347 -244.301 -115.902 -196.604 -122.022 -205.898 -106.383 -98.7951 99.6878 PRESSAVG: 3889400 38.0753 -58.9897 12.3928 -58.9897 -11.1003 18.8517 12.3929 18.8518 8.56041 GPRESSAVG: 3889400 38.4163 -58.3926 12.883 -56.7942 -11.5595 16.7169 12.1892 21.2427 8.49797 TIMING: 3889400 CPU: 12616.6, 0.00314314/step Wall: 12616.6, 0.00314314/step, 0.969658 hours remaining, 235.074219 MB of memory in use. ENERGY: 3889400 4026.4781 20519.7359 14482.3147 232.5210 -202592.1305 2152.1990 0.0000 0.0000 52278.4057 -108900.4761 300.4447 -161178.8818 -108536.4932 300.5645 -11.6042 20.6334 762946.9012 11.8451 11.7849 PRESSURE: 3889600 355.034 -199.977 157.523 -199.976 178.792 -113.656 157.524 -113.656 -60.0342 GPRESSURE: 3889600 372.196 -170.21 76.5574 -90.6523 189.208 -109.695 167.6 -114.019 16.278 PRESSAVG: 3889600 92.9621 -45.9914 6.18896 -45.9914 -36.744 -85.0609 6.18893 -85.0609 7.5999 GPRESSAVG: 3889600 93.3179 -43.5706 5.46463 -48.1335 -37.8185 -82.6996 3.95882 -85.4612 8.304 TIMING: 3889600 CPU: 12617.3, 0.00314237/step Wall: 12617.3, 0.00314237/step, 0.969245 hours remaining, 235.074219 MB of memory in use. ENERGY: 3889600 4017.7547 20612.9548 14458.0005 226.5572 -203063.2294 2535.5742 0.0000 0.0000 52377.9663 -108834.4217 301.0169 -161212.3880 -108478.3235 300.8648 157.9305 192.5607 760109.4830 21.2727 21.2678 PRESSURE: 3889800 114.193 -151.964 -161.152 -151.965 -77.3772 -97.5546 -161.152 -97.5541 46.3169 GPRESSURE: 3889800 138.826 -83.2769 -104.051 -80.0108 -32.2507 -89.0339 -173.728 19.3707 68.0618 PRESSAVG: 3889800 96.2051 -6.80215 3.84442 -6.80212 -71.3546 -27.8572 3.84438 -27.8571 16.6266 GPRESSAVG: 3889800 95.6441 -5.99935 4.68833 -5.57152 -70.7519 -28.3503 4.95871 -27.9044 16.1923 TIMING: 3889800 CPU: 12617.9, 0.00313099/step Wall: 12617.9, 0.00313099/step, 0.965563 hours remaining, 235.074219 MB of memory in use. ENERGY: 3889800 4016.0467 20481.4792 14361.3585 227.7251 -202813.5874 2274.7126 0.0000 0.0000 52432.1853 -109020.0800 301.3285 -161452.2653 -108642.6195 300.2337 27.7109 58.2124 762405.5562 13.8257 13.6948 PRESSURE: 3890000 291.053 119.961 132.442 119.961 -92.3186 57.2236 132.441 57.225 -124.036 GPRESSURE: 3890000 314.65 73.2883 129.062 192.572 -67.9617 -85.2741 110.264 101.654 -93.8615 PRESSAVG: 3890000 81.0813 0.330611 12.4379 0.330579 -26.5329 -15.6305 12.4379 -15.6305 18.3972 GPRESSAVG: 3890000 82.9314 -2.71989 10.6824 3.47725 -26.8774 -15.81 11.8156 -16.1309 17.3955 TIMING: 3890000 CPU: 12618.5, 0.00312972/step Wall: 12618.5, 0.00312972/step, 0.964997 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3890000 3977.2246 20350.4087 14454.2938 261.9225 -203016.3135 2597.3075 0.0000 0.0000 52469.3975 -108905.7589 301.5423 -161375.1563 -108531.5003 300.5862 24.8996 50.9423 761630.2648 24.3152 24.4832 PRESSURE: 3890200 145.1 147.281 -257.972 147.282 -165.99 -293.342 -257.973 -293.342 244.468 GPRESSURE: 3890200 122.334 169.791 -236.63 72.4587 -125.66 -253.628 -170.384 -166.922 320.371 PRESSAVG: 3890200 75.0267 -28.8821 -28.9374 -28.8822 -65.2068 50.1116 -28.9373 50.1117 -6.78158 GPRESSAVG: 3890200 74.0719 -27.9944 -27.5815 -32.3162 -65.7679 49.8637 -27.7706 50.232 -4.86059 TIMING: 3890200 CPU: 12619.1, 0.00313474/step Wall: 12619.1, 0.00313474/step, 0.96637 hours remaining, 235.074219 MB of memory in use. ENERGY: 3890200 3941.4693 20504.6387 14424.5025 238.8669 -202934.7042 2687.1133 0.0000 0.0000 52250.8604 -108887.2530 300.2864 -161138.1135 -108531.2321 300.8319 74.5260 105.6816 761579.2191 1.0128 1.1478 PRESSURE: 3890400 351.668 -193.546 -38.1028 -193.546 19.8484 -28.0687 -38.1033 -28.0676 131.406 GPRESSURE: 3890400 414.977 -294.225 -8.20191 -148.222 33.6215 -42.335 -70.4283 -9.07968 134.127 PRESSAVG: 3890400 62.15 -32.5214 12.4461 -32.5214 -28.083 -18.4097 12.446 -18.4097 -4.64745 GPRESSAVG: 3890400 62.8238 -33.5728 12.281 -31.3706 -28.0641 -18.4785 11.6384 -17.4012 -5.59128 TIMING: 3890400 CPU: 12619.8, 0.0031254/step Wall: 12619.8, 0.0031254/step, 0.963319 hours remaining, 235.074219 MB of memory in use. ENERGY: 3890400 3954.8365 20448.7650 14378.5802 245.7093 -202877.9872 2483.7733 0.0000 0.0000 52342.7974 -109023.5255 300.8148 -161366.3229 -108649.1363 300.5456 167.6408 194.2419 760904.5783 9.8065 9.7228 PRESSURE: 3890600 225.696 5.09194 325.891 5.09147 -164.405 -162.207 325.891 -162.207 -474.189 GPRESSURE: 3890600 233.26 -183.295 269.565 -27.8199 -111.983 -165.573 120.224 -184.452 -459.343 PRESSAVG: 3890600 44.3576 -60.8046 21.6968 -60.8046 -73.1833 -29.5803 21.6968 -29.5803 14.0181 GPRESSAVG: 3890600 43.0872 -60.3287 19.1929 -61.0136 -72.2888 -28.6419 21.7564 -31.4589 14.7885 TIMING: 3890600 CPU: 12620.4, 0.00312143/step Wall: 12620.4, 0.00312143/step, 0.961922 hours remaining, 235.074219 MB of memory in use. ENERGY: 3890600 3935.5097 20644.4724 14502.9004 252.6453 -202748.1790 2415.8591 0.0000 0.0000 51963.5760 -109033.2161 298.6354 -160996.7921 -108675.8287 299.9407 -137.6329 -112.6891 762130.8461 -4.9358 -4.8044 PRESSURE: 3890800 -6.71108 342.282 90.5058 342.281 60.9334 126.916 90.5047 126.917 88.9524 GPRESSURE: 3890800 -25.9567 231.691 77.5934 311.892 180.202 29.617 109.002 174.995 66.1333 PRESSAVG: 3890800 0.854452 -26.5351 8.97324 -26.5351 -25.3739 4.20787 8.97321 4.2079 -8.51869 GPRESSAVG: 3890800 1.74503 -28.1101 12.3266 -26.2005 -25.8142 4.44183 7.59048 4.96073 -8.02972 TIMING: 3890800 CPU: 12621, 0.00313486/step Wall: 12621, 0.00313486/step, 0.965885 hours remaining, 235.074219 MB of memory in use. ENERGY: 3890800 3940.9152 20592.3768 14438.7787 249.8888 -203038.6574 2702.4708 0.0000 0.0000 52159.5101 -108954.7170 299.7614 -161114.2271 -108582.5872 299.8599 47.7249 73.4596 763314.5758 -11.0127 -10.6996 PRESSURE: 3891000 448.76 18.0472 33.1378 18.048 199.349 61.1783 33.1383 61.1778 -360.312 GPRESSURE: 3891000 535.248 150.281 -37.4406 18.0397 128.082 141.227 151.86 -36.3024 -292.392 PRESSAVG: 3891000 39.6245 18.7121 37.8843 18.7121 -69.6552 18.6728 37.8843 18.6729 -13.525 GPRESSAVG: 3891000 39.8161 20.5793 35.8029 19.6435 -69.724 17.8765 40.1363 20.5739 -13.7915 TIMING: 3891000 CPU: 12621.6, 0.00313976/step Wall: 12621.6, 0.00313976/step, 0.967221 hours remaining, 235.074219 MB of memory in use. ENERGY: 3891000 3962.5853 20550.3778 14416.5960 242.1104 -203200.7224 2774.0488 0.0000 0.0000 52242.0852 -109012.9191 300.2360 -161255.0043 -108647.9065 300.3594 95.9325 123.6458 761294.7876 -14.5186 -14.5665 PRESSURE: 3891200 -313.971 -29.2507 -3.09039 -29.2508 -33.1874 -321.97 -3.08996 -321.97 115.732 GPRESSURE: 3891200 -204.55 -30.723 134.406 -65.3156 1.48738 -235.683 -39.3078 -204.265 84.9933 PRESSAVG: 3891200 73.0265 -30.7923 77.7036 -30.7922 -40.8667 14.0804 77.7037 14.0803 15.2923 GPRESSAVG: 3891200 73.3036 -29.5264 78.1308 -32.851 -41.402 14.2184 76.0179 11.9958 15.9145 TIMING: 3891200 CPU: 12622.3, 0.00313242/step Wall: 12622.3, 0.00313242/step, 0.964785 hours remaining, 235.074219 MB of memory in use. ENERGY: 3891200 4016.5147 20448.2619 14527.8885 259.7542 -202938.2247 2369.7028 0.0000 0.0000 52489.3192 -108826.7834 301.6568 -161316.1026 -108455.8190 300.8476 -77.1421 -39.3563 761111.3526 15.8174 15.9387 PRESSURE: 3891400 -221.525 88.1864 146.684 88.1862 365.457 -27.5997 146.685 -27.5999 -428.477 GPRESSURE: 3891400 -258.656 57.3039 150.787 78.7911 373.617 -5.82912 126.193 -139.241 -335.52 PRESSAVG: 3891400 23.1283 23.9848 16.4145 23.9848 -25.8717 23.4703 16.4144 23.4704 -1.19912 GPRESSAVG: 3891400 22.1738 21.364 17.4365 24.2255 -24.7872 24.1464 17.6191 22.8001 -1.19586 TIMING: 3891400 CPU: 12622.9, 0.00313516/step Wall: 12622.9, 0.00313516/step, 0.965454 hours remaining, 235.074219 MB of memory in use. ENERGY: 3891400 3997.3182 20753.1662 14432.6867 245.3753 -203156.3275 2454.1446 0.0000 0.0000 52253.3033 -109020.3332 300.3005 -161273.6365 -108667.6102 300.6815 -94.8482 -73.5195 759806.7988 -1.3142 -1.2697 PRESSURE: 3891600 -130.36 7.6241 130.166 7.62412 -28.9567 137.952 130.166 137.951 -145.136 GPRESSURE: 3891600 -232.648 51.7143 33.4707 -11.9837 99.7023 106.862 259.666 75.5483 -82.0496 PRESSAVG: 3891600 30.2027 -41.934 18.6738 -41.9341 -13.9072 27.3813 18.6737 27.3813 -13.7592 GPRESSAVG: 3891600 29.7143 -38.5259 18.9582 -41.9937 -13.043 27.2791 17.5926 25.9587 -13.5913 TIMING: 3891600 CPU: 12623.5, 0.00315644/step Wall: 12623.5, 0.00315644/step, 0.971834 hours remaining, 235.074219 MB of memory in use. ENERGY: 3891600 4072.3654 20570.1685 14351.5095 267.8362 -203406.4649 2793.4659 0.0000 0.0000 52361.3188 -108989.8007 300.9212 -161351.1195 -108631.6157 299.8409 -101.4844 -71.6650 760954.9174 0.8454 1.0267 PRESSURE: 3891800 -59.5785 129.956 -249.226 129.956 339.372 -222.942 -249.225 -222.944 -76.3307 GPRESSURE: 3891800 -20.3188 100.16 -258.567 -39.4577 297.093 -234.667 -299.771 -149.525 1.70799 PRESSAVG: 3891800 42.8752 39.5912 -23.7073 39.5912 -37.9627 -13.3269 -23.7073 -13.3269 18.3478 GPRESSAVG: 3891800 44.0308 37.1621 -25.3812 41.7407 -39.3565 -14.0208 -21.6464 -11.3401 18.2466 TIMING: 3891800 CPU: 12624.2, 0.00314529/step Wall: 12624.2, 0.00314529/step, 0.968225 hours remaining, 235.074219 MB of memory in use. ENERGY: 3891800 4011.3519 20558.6907 14394.6368 250.7973 -203181.9360 2531.2947 0.0000 0.0000 52475.5214 -108959.6432 301.5775 -161435.1646 -108596.8363 300.8982 67.8209 92.8275 761017.9827 7.7534 7.6403 PRESSURE: 3892000 -233.665 -153.328 -114.909 -153.328 -157.177 116.006 -114.909 116.006 286.482 GPRESSURE: 3892000 -195.688 -142.371 -91.7446 -197.659 -153.51 147.489 -160.852 129.179 331.542 PRESSAVG: 3892000 13.3707 -6.09911 -22.6441 -6.09909 -14.5432 46.762 -22.6442 46.7619 -22.04 GPRESSAVG: 3892000 12.9798 -6.28928 -21.1758 -7.22138 -14.4505 46.3344 -24.0051 46.5928 -21.8062 TIMING: 3892000 CPU: 12624.8, 0.00314783/step Wall: 12624.8, 0.00314783/step, 0.968833 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3892000 3994.6078 20745.1770 14439.4747 246.8106 -202940.8877 2300.8194 0.0000 0.0000 52009.1620 -109204.8361 298.8974 -161213.9981 -108843.4079 300.5059 -34.7866 -5.8849 760349.6996 -7.7375 -7.7590 PRESSURE: 3892200 61.0545 -106.382 -89.2551 -106.381 176.85 -294.175 -89.2553 -294.174 102.91 GPRESSURE: 3892200 48.0551 -111.836 -1.74812 -48.8259 220.318 -210.162 -180.308 -318.766 167.387 PRESSAVG: 3892200 13.1845 68.9165 7.02343 68.9166 13.2443 28.0403 7.02348 28.0403 20.8227 GPRESSAVG: 3892200 13.8353 67.95 5.44611 70.294 13.4645 29.3187 5.98642 28.1746 19.4803 TIMING: 3892200 CPU: 12625.4, 0.00313831/step Wall: 12625.4, 0.00313831/step, 0.965729 hours remaining, 235.078125 MB of memory in use. ENERGY: 3892200 4011.1802 20516.5459 14360.7582 242.5452 -203066.1998 2372.3269 0.0000 0.0000 52232.7181 -109330.1254 300.1821 -161562.8435 -108968.5650 299.6650 113.6049 145.2534 760072.6794 15.7505 15.5933 LDB: ============= START OF LOAD BALANCING ============== 12637.8 LDB: ============== END OF LOAD BALANCING =============== 12637.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12637.8 LDB: ============= START OF LOAD BALANCING ============== 12638.2 LDB: Largest compute 7069 load 0.034070 is 17.4% of average load 0.195541 LDB: Average compute 0.004396 is 2.2% of average load 0.195541 LDB: TIME 12638.2 LOAD: AVG 0.195541 MAX 0.212721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.098 MB LDB: TIME 12638.2 LOAD: AVG 0.195541 MAX 0.212721 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.168 MB LDB: TIME 12638.2 LOAD: AVG 0.195541 MAX 0.212721 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.168 MB LDB: ============== END OF LOAD BALANCING =============== 12638.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12638.2 PRESSURE: 3892400 1.55734 -212.915 -67.7103 -212.916 365.718 -146.544 -67.7098 -146.545 352.652 GPRESSURE: 3892400 57.8649 -318.418 -38.4586 -223.113 309.863 -114.251 13.0659 -218.051 445.168 PRESSAVG: 3892400 28.8549 3.33902 -65.1684 3.33901 -0.632855 -5.99941 -65.1684 -5.99942 -3.88847 GPRESSAVG: 3892400 28.2173 5.86647 -64.2624 0.477107 -1.10345 -5.67755 -63.5742 -6.33416 -2.18984 TIMING: 3892400 CPU: 12626.1, 0.00319375/step Wall: 12626.1, 0.00319375/step, 0.982611 hours remaining, 233.179688 MB of memory in use. ENERGY: 3892400 3928.7241 20571.2912 14350.8964 244.8147 -202959.6793 2154.0989 0.0000 0.0000 52493.0740 -109216.7799 301.6784 -161709.8540 -108850.8278 300.0060 239.9756 270.9652 760426.6332 8.1112 8.3080 PRESSURE: 3892600 -167.936 80.1024 43.9843 80.1023 172.195 11.3323 43.985 11.3325 -6.34502 GPRESSURE: 3892600 -83.835 119.871 151.638 69.7007 128.765 79.9489 147.845 -2.80636 23.5568 PRESSAVG: 3892600 29.327 -47.3524 -6.7171 -47.3524 -70.3405 -22.4553 -6.71716 -22.4552 -15.3864 GPRESSAVG: 3892600 29.7757 -48.6611 -7.1334 -46.3433 -70.2996 -23.344 -6.15586 -20.5925 -15.7801 TIMING: 3892600 CPU: 12626.7, 0.00313905/step Wall: 12626.7, 0.00313905/step, 0.965606 hours remaining, 233.457031 MB of memory in use. ENERGY: 3892600 4036.8208 20665.3499 14382.0182 249.4796 -202974.0748 2445.9128 0.0000 0.0000 51980.6056 -109213.8879 298.7333 -161194.4935 -108847.0167 299.6863 -0.6954 22.8290 760090.7085 -18.8000 -18.7680 PRESSURE: 3892800 -365.28 -203.057 31.4208 -203.056 -350.704 74.1434 31.4204 74.1429 -535.298 GPRESSURE: 3892800 -394.935 -194.203 -38.9561 -114.493 -241.753 56.587 14.0876 134.145 -548.358 PRESSAVG: 3892800 27.4166 -24.6291 10.7559 -24.629 -28.2424 -37.2171 10.756 -37.217 7.65071 GPRESSAVG: 3892800 26.6928 -24 10.8302 -24.5107 -27.6822 -37.7185 10.3313 -38.9927 7.95427 TIMING: 3892800 CPU: 12627.3, 0.00313024/step Wall: 12627.3, 0.00313024/step, 0.962722 hours remaining, 233.527344 MB of memory in use. ENERGY: 3892800 4080.2310 20539.3616 14407.2475 249.5010 -202927.9254 2265.1382 0.0000 0.0000 52296.2992 -109090.1469 300.5476 -161386.4461 -108716.2592 300.1902 -417.0940 -395.0153 761469.5783 2.2750 2.3216 PRESSURE: 3893000 368.167 -36.2926 -163.905 -36.2922 135.459 223.027 -163.905 223.026 162.265 GPRESSURE: 3893000 319.291 -38.8087 -117.127 -116.16 276.425 67.4857 -231.499 106.703 179.233 PRESSAVG: 3893000 29.924 -32.3007 -46.0749 -32.3007 -7.46452 -24.796 -46.0749 -24.796 4.03815 GPRESSAVG: 3893000 31.2564 -34.163 -44.7526 -32.6881 -7.59263 -26.648 -49.1887 -23.2177 2.73797 TIMING: 3893000 CPU: 12627.9, 0.00311596/step Wall: 12627.9, 0.00311596/step, 0.958158 hours remaining, 233.585938 MB of memory in use. ENERGY: 3893000 3975.3817 20642.8561 14387.8350 254.4460 -203195.6289 2593.1385 0.0000 0.0000 52133.5757 -109208.3958 299.6124 -161341.9715 -108840.0244 299.8742 221.9637 258.3164 761463.3172 8.8325 8.8006 PRESSURE: 3893200 244.201 180.707 142.939 180.707 -393.186 -36.1286 142.94 -36.1286 -215.487 GPRESSURE: 3893200 181.711 145.752 150.59 241.705 -321.154 -53.9071 75.7589 -38.9073 -145.66 PRESSAVG: 3893200 10.3113 30.1347 -17.879 30.1347 -24.7624 36.0833 -17.879 36.0832 -6.51889 GPRESSAVG: 3893200 9.08666 32.1621 -18.9344 31.2917 -24.0918 39.294 -17.9375 35.7693 -6.32948 TIMING: 3893200 CPU: 12628.6, 0.00311728/step Wall: 12628.6, 0.00311728/step, 0.958389 hours remaining, 233.585938 MB of memory in use. ENERGY: 3893200 3997.4825 20522.0596 14371.2873 267.2491 -203216.0635 2716.2538 0.0000 0.0000 52033.1417 -109308.5895 299.0352 -161341.7313 -108941.3074 299.8978 -121.4905 -95.0342 761667.5636 -6.9900 -7.1115 PRESSURE: 3893400 -499.792 -83.8934 -43.5406 -83.8937 16.5197 -93.1585 -43.5405 -93.1581 197.346 GPRESSURE: 3893400 -359.145 -102.505 -44.6721 -15.3729 -16.2697 -56.009 48.1439 -69.1036 193.178 PRESSAVG: 3893400 26.4811 20.5815 -24.5233 20.5815 -19.2405 -41.7985 -24.5233 -41.7985 2.04976 GPRESSAVG: 3893400 28.0346 21.2674 -24.5171 19.0455 -20.1509 -43.2981 -22.1538 -42.1291 1.24931 TIMING: 3893400 CPU: 12629.2, 0.00313319/step Wall: 12629.2, 0.00313319/step, 0.963107 hours remaining, 233.585938 MB of memory in use. ENERGY: 3893400 4088.0126 20378.9764 14426.9264 245.3669 -202588.6039 2182.8306 0.0000 0.0000 51858.9623 -109407.5287 298.0342 -161266.4909 -109040.0144 298.9173 -95.3089 -60.7458 763609.5736 3.0968 3.0443 PRESSURE: 3893600 54.3391 -60.0396 70.7916 -60.0399 105.285 -448.686 70.7917 -448.687 -106.276 GPRESSURE: 3893600 112.679 -1.7525 92.8359 -49.1963 63.9726 -485.616 153.361 -374.299 -48.4582 PRESSAVG: 3893600 -5.99065 14.8621 -26.5982 14.8621 -3.39802 -2.35792 -26.5982 -2.35797 17.3417 GPRESSAVG: 3893600 -6.73791 14.3936 -26.3162 15.627 -3.54081 -1.14688 -27.4075 -2.78039 17.9721 TIMING: 3893600 CPU: 12629.8, 0.00313225/step Wall: 12629.8, 0.00313225/step, 0.962645 hours remaining, 233.585938 MB of memory in use. ENERGY: 3893600 3992.6648 20476.0313 14442.9924 240.4080 -203180.1509 2542.0332 0.0000 0.0000 52217.6640 -109268.3571 300.0956 -161486.0211 -108909.6849 299.3029 17.7824 42.7312 761111.9067 2.6510 2.5645 PRESSURE: 3893800 289.225 -172.937 233.927 -172.937 -41.1088 182.321 233.927 182.321 -218.005 GPRESSURE: 3893800 263.526 -222.156 281.846 -156.495 -43.4682 131.754 212.911 210.913 -118.495 PRESSAVG: 3893800 81.1978 -22.5937 19.3895 -22.5936 -32.5763 30.6282 19.3895 30.6283 8.58874 GPRESSAVG: 3893800 80.0418 -22.5596 19.3558 -21.9687 -32.8427 28.7536 20.4319 31.5013 9.16957 TIMING: 3893800 CPU: 12630.4, 0.00313478/step Wall: 12630.4, 0.00313478/step, 0.963249 hours remaining, 233.585938 MB of memory in use. ENERGY: 3893800 3990.0757 20369.1412 14450.6964 218.7440 -203146.7925 2617.1178 0.0000 0.0000 52160.8499 -109340.1674 299.7691 -161501.0173 -108966.0626 299.5128 10.0368 33.8542 761735.3367 19.0701 18.7896 PRESSURE: 3894000 -62.2169 -32.1362 -69.0046 -32.1359 87.1365 220.421 -69.0052 220.42 -25.6763 GPRESSURE: 3894000 -77.4732 24.2521 -49.5137 -35.2814 174.109 171.036 -137.768 294.754 -14.3696 PRESSAVG: 3894000 -28.2087 0.182473 -44.3274 0.182559 -9.33651 -24.032 -44.3274 -24.032 15.985 GPRESSAVG: 3894000 -28.2349 0.347039 -45.5031 -2.54136 -8.18879 -22.2898 -42.9687 -24.1168 15.3592 TIMING: 3894000 CPU: 12631.1, 0.00315073/step Wall: 12631.1, 0.00315073/step, 0.967973 hours remaining, 233.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3894000 3943.1335 20490.3584 14262.6212 227.1472 -203570.8461 2895.9652 0.0000 0.0000 52231.3466 -109520.2740 300.1743 -161751.6206 -109168.0200 298.9895 -0.2522 27.4221 762130.6323 -7.1868 -7.0215 PRESSURE: 3894200 120.939 -70.5978 -107.809 -70.5981 47.6821 62.4917 -107.809 62.4913 -35.4073 GPRESSURE: 3894200 156.921 -72.5372 -73.4552 -31.0282 184.553 -27.4105 -100.355 -123.778 -106.575 PRESSAVG: 3894200 43.4583 -19.3782 -17.353 -19.3782 2.8836 -19.859 -17.353 -19.859 31.5687 GPRESSAVG: 3894200 44.1199 -20.463 -16.2626 -16.9085 3.35218 -21.3137 -17.9501 -19.9781 30.7882 TIMING: 3894200 CPU: 12631.7, 0.00315684/step Wall: 12631.7, 0.00315684/step, 0.969676 hours remaining, 233.585938 MB of memory in use. ENERGY: 3894200 3953.4941 20656.1359 14411.5695 249.4810 -203327.7426 2517.7648 0.0000 0.0000 52054.3111 -109484.9862 299.1568 -161539.2973 -109123.9465 298.9980 44.4045 78.3001 761873.2862 25.9702 26.0868 PRESSURE: 3894400 -117.806 -77.5978 102.124 -77.5974 124.071 133.206 102.124 133.206 275.206 GPRESSURE: 3894400 -118.914 17.923 15.0971 -70.4192 172.208 147.59 16.3445 22.3097 312.313 PRESSAVG: 3894400 8.11933 -48.5244 -30.7113 -48.5244 15.1415 22.6569 -30.7113 22.6569 -6.20901 GPRESSAVG: 3894400 7.69064 -46.8155 -31.1052 -49.6416 15.3345 23.7275 -33.3595 23.0966 -6.49974 TIMING: 3894400 CPU: 12632.3, 0.00314462/step Wall: 12632.3, 0.00314462/step, 0.965749 hours remaining, 233.585938 MB of memory in use. ENERGY: 3894400 3964.9960 20569.2088 14397.0336 238.9478 -203309.0945 2732.8349 0.0000 0.0000 51831.7488 -109574.3245 297.8778 -161406.0733 -109212.4513 299.2028 93.8234 121.8689 763120.7092 5.6840 5.5085 PRESSURE: 3894600 15.2415 -60.9582 -99.0712 -60.9581 366.44 32.8573 -99.071 32.8574 61.8524 GPRESSURE: 3894600 90.821 24.3248 -102.015 -62.6296 303.126 -66.0913 -12.7784 148.292 132.813 PRESSAVG: 3894600 -35.9458 -30.8822 -11.6755 -30.8821 9.64913 21.981 -11.6755 21.981 13.5573 GPRESSAVG: 3894600 -36.7164 -30.3076 -11.3271 -31.2302 7.21684 21.3572 -8.68009 22.0419 15.9534 TIMING: 3894600 CPU: 12633, 0.00315251/step Wall: 12633, 0.00315251/step, 0.967994 hours remaining, 233.589844 MB of memory in use. ENERGY: 3894600 3981.6096 20485.5377 14384.1875 238.9443 -203726.9292 2802.6729 0.0000 0.0000 52316.1835 -109517.7937 300.6618 -161833.9773 -109157.6614 298.9312 147.8447 175.5867 760927.7507 -4.2464 -4.5154 PRESSURE: 3894800 128.228 202.013 -103.169 202.013 -329.218 134.596 -103.17 134.597 -148.439 GPRESSURE: 3894800 109.875 101.681 -79.1986 273.191 -237.385 192.493 -41.9967 94.4014 -156.141 PRESSAVG: 3894800 38.1908 -50.3023 -46.521 -50.3022 -45.3402 -19.4631 -46.521 -19.4631 -8.52371 GPRESSAVG: 3894800 39.1136 -53.0396 -45.8687 -47.6345 -44.0143 -18.3448 -48.6607 -22.56 -10.2913 TIMING: 3894800 CPU: 12633.6, 0.00314734/step Wall: 12633.6, 0.00314734/step, 0.966234 hours remaining, 233.589844 MB of memory in use. ENERGY: 3894800 3967.3351 20627.6626 14384.3570 255.9847 -202935.9312 2448.5480 0.0000 0.0000 51658.4420 -109593.6018 296.8818 -161252.0438 -109218.6117 299.1138 -116.4764 -94.5505 762552.5623 -5.2244 -5.0640 PRESSURE: 3895000 -125.141 -93.6956 62.3514 -93.6952 -256.116 96.7953 62.3518 96.7953 26.2514 GPRESSURE: 3895000 -38.5253 -176.743 7.75418 -51.3695 -262.854 70.7465 205.674 105.648 19.7448 PRESSAVG: 3895000 62.7245 17.4932 -36.0973 17.4932 -80.8207 44.7056 -36.0972 44.7056 -3.50524 GPRESSAVG: 3895000 62.9892 18.7815 -37.1417 15.3461 -80.8275 44.6803 -32.4973 46.631 -3.86244 TIMING: 3895000 CPU: 12634.2, 0.00316005/step Wall: 12634.2, 0.00316005/step, 0.96996 hours remaining, 233.589844 MB of memory in use. ENERGY: 3895000 3929.1972 20583.7753 14432.2125 241.2906 -203362.8683 2588.6227 0.0000 0.0000 51943.1585 -109644.6114 298.5180 -161587.7699 -109286.6783 298.8325 -118.3352 -93.8781 762819.1510 -7.2005 -7.2336 PRESSURE: 3895200 -79.9922 20.5093 -60.0731 20.5092 -1.1024 -53.3565 -60.0732 -53.3566 610.942 GPRESSURE: 3895200 80.7915 -47.7847 -118.954 -154.372 2.90108 25.7725 -199.383 -68.4603 534.247 PRESSAVG: 3895200 4.77874 15.0291 17.4656 15.0293 -9.22507 22.7612 17.4656 22.7613 -10.3249 GPRESSAVG: 3895200 4.86146 14.6592 17.469 14.182 -9.41934 23.7031 15.2392 23.9968 -9.71964 TIMING: 3895200 CPU: 12634.8, 0.0031371/step Wall: 12634.8, 0.0031371/step, 0.96274 hours remaining, 233.593750 MB of memory in use. ENERGY: 3895200 3987.4988 20535.2003 14429.5071 240.3989 -203723.9815 2841.6510 0.0000 0.0000 52052.9533 -109636.7720 299.1490 -161689.7254 -109274.6592 298.6230 176.6158 205.9799 760989.0573 -4.9238 -4.7592 PRESSURE: 3895400 115.889 -27.2735 57.3651 -27.274 -263.802 -45.3992 57.3657 -45.3978 231.13 GPRESSURE: 3895400 97.8017 -45.4629 46.5022 -16.0942 -238.738 -10.3009 -9.8774 -68.5547 304.45 PRESSAVG: 3895400 14.6021 -21.5055 -9.07679 -21.5055 -1.12389 5.57487 -9.07677 5.57492 3.00718 GPRESSAVG: 3895400 13.3471 -22.1606 -9.31712 -20.5002 -1.97151 4.55154 -8.78445 4.0201 3.61075 TIMING: 3895400 CPU: 12635.5, 0.00314743/step Wall: 12635.5, 0.00314743/step, 0.965736 hours remaining, 233.593750 MB of memory in use. ENERGY: 3895400 4057.1827 20506.5862 14402.2504 263.9299 -203308.7125 2470.8448 0.0000 0.0000 51820.9293 -109786.9892 297.8156 -161607.9185 -109432.4576 298.6381 27.7393 54.5045 761223.9566 5.4951 4.9954 PRESSURE: 3895600 169.015 -5.93239 -95.9097 -5.9319 133.194 14.4224 -95.9102 14.4223 491.118 GPRESSURE: 3895600 196.968 -63.4152 10.4656 56.5355 165.946 -22.3293 -21.0045 133.711 523.8 PRESSAVG: 3895600 30.781 1.15654 -8.33611 1.15658 -0.746736 26.5351 -8.33619 26.5351 -4.03644 GPRESSAVG: 3895600 30.7201 0.533088 -7.78008 2.43667 0.323251 25.6794 -8.22901 28.1066 -4.64893 TIMING: 3895600 CPU: 12636.1, 0.00314045/step Wall: 12636.1, 0.00314045/step, 0.963419 hours remaining, 233.593750 MB of memory in use. ENERGY: 3895600 3987.4321 20565.0749 14461.0076 266.2723 -203555.3712 2599.8147 0.0000 0.0000 51895.5380 -109780.2316 298.2444 -161675.7696 -109421.9563 298.8644 264.4424 295.5712 760058.8574 8.6659 8.7981 PRESSURE: 3895800 299.676 -55.4983 -29.2292 -55.4984 128.594 -23.3505 -29.2289 -23.3504 292.249 GPRESSURE: 3895800 343.624 -34.4452 -10.9708 -98.0361 225.628 -39.1315 16.569 -15.3201 225.082 PRESSAVG: 3895800 55.5879 -77.9919 17.6843 -77.9919 -5.50255 51.2576 17.6843 51.2575 2.60048 GPRESSAVG: 3895800 57.1686 -74.4585 17.4284 -79.8668 -6.40133 49.933 17.2415 51.8998 1.65818 TIMING: 3895800 CPU: 12636.7, 0.00316409/step Wall: 12636.7, 0.00316409/step, 0.970496 hours remaining, 233.597656 MB of memory in use. ENERGY: 3895800 3993.0849 20467.0652 14442.8750 228.6880 -203308.4998 2627.9465 0.0000 0.0000 52095.1193 -109453.7209 299.3914 -161548.8402 -109095.0324 299.0754 240.1729 264.7779 761989.2406 17.5620 17.4752 PRESSURE: 3896000 -80.4621 -6.4958 77.7119 -6.4966 -168.129 -53.6767 77.7132 -53.6777 1.34048 GPRESSURE: 3896000 -43.3311 44.3628 108.729 33.9244 -143.609 0.766294 238.705 1.75456 19.7714 PRESSAVG: 3896000 58.9224 7.7656 -10.0965 7.76565 -39.4258 40.3252 -10.0964 40.3253 -7.67045 GPRESSAVG: 3896000 57.7731 5.12321 -9.60749 9.08369 -39.2899 40.7374 -10.0178 40.5713 -6.58154 TIMING: 3896000 CPU: 12637.4, 0.00315232/step Wall: 12637.4, 0.00315232/step, 0.966711 hours remaining, 233.597656 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: 3896000 4039.0445 20618.0152 14413.5983 249.6983 -203654.1503 2689.9581 0.0000 0.0000 52121.9014 -109521.9345 299.5453 -161643.8359 -109154.2520 299.0972 -82.4167 -55.7230 762301.7552 3.9420 3.9672 PRESSURE: 3896200 -75.6358 99.8227 -0.408134 99.8222 -161.004 37.9241 -0.407947 37.924 -25.2176 GPRESSURE: 3896200 -85.3648 51.8497 -19.9198 108.015 -57.735 107.882 -103.784 -18.549 -17.3544 PRESSAVG: 3896200 60.3951 -67.9424 22.7337 -67.9424 -41.3661 54.0183 22.7337 54.0183 -0.773532 GPRESSAVG: 3896200 60.4922 -70.4397 20.7685 -67.1569 -40.5084 55.2311 24.202 52.8318 -1.29759 TIMING: 3896200 CPU: 12638, 0.003142/step Wall: 12638, 0.003142/step, 0.963373 hours remaining, 233.601562 MB of memory in use. ENERGY: 3896200 4029.9030 20438.6976 14380.4531 232.3463 -203490.6958 2770.3368 0.0000 0.0000 51898.0714 -109740.8876 298.2589 -161638.9590 -109383.7058 298.3766 -87.2859 -53.4847 762197.6668 6.0852 6.2287 LDB: ============= START OF LOAD BALANCING ============== 12650.4 LDB: ============== END OF LOAD BALANCING =============== 12650.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12650.4 LDB: ============= START OF LOAD BALANCING ============== 12650.7 LDB: Largest compute 7069 load 0.032527 is 16.6% of average load 0.195469 LDB: Average compute 0.004388 is 2.2% of average load 0.195469 LDB: TIME 12650.7 LOAD: AVG 0.195469 MAX 0.216043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 12650.7 LOAD: AVG 0.195469 MAX 0.216043 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: TIME 12650.7 LOAD: AVG 0.195469 MAX 0.216043 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: ============== END OF LOAD BALANCING =============== 12650.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12650.7 PRESSURE: 3896400 -66.549 -167.76 -138.054 -167.761 133.921 -157.82 -138.055 -157.82 332.055 GPRESSURE: 3896400 -10.2425 -143.55 -124.29 -180.584 225.935 -61.9549 -38.673 -184.163 270.546 PRESSAVG: 3896400 -7.65072 -110.57 22.9664 -110.569 -1.70935 36.3944 22.9665 36.3945 -12.1447 GPRESSAVG: 3896400 -7.79484 -109.501 24.9144 -111.104 -2.3024 36.5157 20.9142 35.0992 -11.4949 TIMING: 3896400 CPU: 12638.6, 0.00321298/step Wall: 12638.6, 0.00321298/step, 0.984956 hours remaining, 233.882812 MB of memory in use. ENERGY: 3896400 3944.4861 20322.5972 14421.9892 249.0982 -203533.7490 2611.6169 0.0000 0.0000 52023.9669 -109959.9945 298.9825 -161983.9614 -109597.3431 297.8319 133.1421 162.0798 763110.2066 -7.1683 -7.1974 PRESSURE: 3896600 -134.503 -44.6991 127.402 -44.699 30.8451 137.686 127.402 137.687 -266.044 GPRESSURE: 3896600 -118.273 -166.178 113.815 -10.6837 100.163 190.137 37.5366 201.391 -252.266 PRESSAVG: 3896600 -7.37347 -38.163 -18.7698 -38.163 23.7941 -3.31932 -18.7698 -3.3193 24.3287 GPRESSAVG: 3896600 -6.9501 -37.1782 -19.2052 -37.2808 23.3073 -5.2468 -17.5606 -0.472592 24.2249 TIMING: 3896600 CPU: 12639.3, 0.00314442/step Wall: 12639.3, 0.00314442/step, 0.963766 hours remaining, 234.085938 MB of memory in use. ENERGY: 3896600 3995.2495 20263.3423 14479.5205 245.5138 -203299.3337 2348.0611 0.0000 0.0000 52001.2645 -109966.3820 298.8520 -161967.6465 -109608.7783 297.5267 -123.2338 -90.1256 761151.7936 13.5831 13.5274 PRESSURE: 3896800 -124.608 -73.0603 -57.4504 -73.0605 175.782 65.4828 -57.4506 65.4821 266.349 GPRESSURE: 3896800 -160.426 29.0516 -2.59506 -188.471 285.418 148.75 -90.0337 -36.7051 281.747 PRESSAVG: 3896800 -41.5239 -3.41376 13.8243 -3.41373 34.2315 -22.3511 13.8244 -22.3511 -0.353396 GPRESSAVG: 3896800 -41.927 -4.02748 13.7563 -4.02201 34.0814 -20.5151 13.4025 -23.8234 -0.116997 TIMING: 3896800 CPU: 12639.9, 0.00312974/step Wall: 12639.9, 0.00312974/step, 0.959091 hours remaining, 234.085938 MB of memory in use. ENERGY: 3896800 3925.6182 20455.1152 14305.6214 242.5012 -203012.5350 2417.6624 0.0000 0.0000 51929.7037 -109736.3129 298.4407 -161666.0165 -109373.6713 297.9570 105.8408 135.5796 762560.0990 -2.5486 -2.6542 PRESSURE: 3897000 439.388 112.236 269.562 112.236 293.318 -26.5257 269.562 -26.5263 306.503 GPRESSURE: 3897000 407.783 82.6386 307.658 36.6527 404.32 -47.3608 188.939 -2.02697 303.088 PRESSAVG: 3897000 -8.53701 19.4083 -24.5948 19.4083 27.8568 31.0257 -24.5949 31.0256 -8.40202 GPRESSAVG: 3897000 -9.25861 20.8957 -24.6621 18.4437 29.4881 28.6136 -25.7475 29.8323 -9.06547 TIMING: 3897000 CPU: 12640.5, 0.0031107/step Wall: 12640.5, 0.0031107/step, 0.953085 hours remaining, 234.140625 MB of memory in use. ENERGY: 3897000 3892.8942 20539.0486 14404.3534 265.7068 -203677.9641 2750.8378 0.0000 0.0000 51900.2628 -109924.8605 298.2715 -161825.1233 -109554.5848 298.6321 346.4028 371.7302 760240.3490 3.6392 3.7213 PRESSURE: 3897200 -240.382 -60.2407 176.326 -60.2412 -23.0892 13.7057 176.325 13.7049 -327.12 GPRESSURE: 3897200 -238.161 -74.4184 201.896 -57.2112 -1.80518 85.8781 224.611 76.7626 -261.347 PRESSAVG: 3897200 5.39984 -34.4561 32.8617 -34.4561 -1.18153 -8.0656 32.8618 -8.06554 23.7686 GPRESSAVG: 3897200 5.90276 -36.6878 33.7775 -33.1668 -2.8262 -5.57332 31.3563 -6.5124 24.5652 TIMING: 3897200 CPU: 12641.1, 0.00311244/step Wall: 12641.1, 0.00311244/step, 0.953444 hours remaining, 234.140625 MB of memory in use. ENERGY: 3897200 4019.6110 20469.3219 14383.3028 240.7877 -203626.9632 2724.0087 0.0000 0.0000 51792.1603 -109997.7708 297.6503 -161789.9311 -109640.9493 297.9473 -196.8635 -167.1044 761356.1221 9.3290 9.2139 PRESSURE: 3897400 189.064 164.299 8.53492 164.299 -127.894 -35.2062 8.5339 -35.2059 337.465 GPRESSURE: 3897400 132.751 175.196 -11.9605 240.098 19.9908 -71.0702 -23.8356 -119.002 341.384 PRESSAVG: 3897400 26.7909 -19.7314 -22.952 -19.7314 -48.1223 -1.36223 -22.952 -1.36222 -16.4421 GPRESSAVG: 3897400 25.6162 -18.0298 -22.7993 -17.858 -46.2856 -2.51715 -21.656 -0.337125 -17.3136 TIMING: 3897400 CPU: 12641.8, 0.00312258/step Wall: 12641.8, 0.00312258/step, 0.956378 hours remaining, 234.210938 MB of memory in use. ENERGY: 3897400 3927.2585 20423.8054 14450.1040 236.8552 -203481.2254 2604.9048 0.0000 0.0000 51928.7258 -109909.5718 298.4351 -161838.2975 -109549.2523 297.7927 132.8784 164.7086 760754.2979 -12.5912 -12.6610 PRESSURE: 3897600 239.869 -231.184 181.417 -231.183 111.846 153.774 181.417 153.773 193.439 GPRESSURE: 3897600 294.127 -202.606 231.625 -276.29 172.835 63.66 234.977 126.949 183.909 PRESSAVG: 3897600 26.1503 -81.7402 -25.835 -81.7401 -30.9577 49.6113 -25.8349 49.6113 10.711 GPRESSAVG: 3897600 27.5705 -80.309 -26.3668 -84.4884 -32.6834 49.4822 -23.2767 48.5259 10.8773 TIMING: 3897600 CPU: 12642.4, 0.00312478/step Wall: 12642.4, 0.00312478/step, 0.956878 hours remaining, 234.281250 MB of memory in use. ENERGY: 3897600 3975.8507 20378.6331 14429.6230 237.7639 -203441.0644 2645.8806 0.0000 0.0000 51977.4379 -109795.8752 298.7151 -161773.3131 -109436.3155 298.1280 181.7180 216.9572 761053.5522 1.9679 1.9215 PRESSURE: 3897800 -463.727 73.2953 -230.185 73.2957 -227.344 -162.316 -230.185 -162.317 221.705 GPRESSURE: 3897800 -327.12 77.5397 -182.535 -6.62192 -190.871 -224.827 -279.558 -124.802 127.253 PRESSAVG: 3897800 20.4363 -22.5899 -30.2867 -22.5898 -31.5974 1.28751 -30.2867 1.28751 -5.15485 GPRESSAVG: 3897800 21.2531 -24.7109 -30.6714 -20.5952 -31.7204 2.05554 -32.0438 2.37762 -5.51885 TIMING: 3897800 CPU: 12643, 0.00311906/step Wall: 12643, 0.00311906/step, 0.954951 hours remaining, 234.281250 MB of memory in use. ENERGY: 3897800 3876.5427 20579.2099 14520.1433 240.9408 -203098.8893 2285.0885 0.0000 0.0000 51951.4840 -109645.4801 298.5659 -161596.9641 -109278.0111 298.3656 -156.4552 -130.2460 763002.7550 -5.4387 -5.3287 PRESSURE: 3898000 243.657 -96.561 435.207 -96.5605 -72.3306 69.9675 435.208 69.9672 296.481 GPRESSURE: 3898000 252.825 -114.746 389.426 -92.2679 -12.5531 79.9912 349.521 -60.2038 305.353 PRESSAVG: 3898000 68.1799 -21.372 2.78886 -21.372 -117.881 -28.4153 2.78886 -28.4153 -1.86456 GPRESSAVG: 3898000 66.8479 -21.3651 2.39665 -23.9857 -117.28 -28.3909 3.3865 -30.8439 -1.18445 TIMING: 3898000 CPU: 12643.6, 0.00312724/step Wall: 12643.6, 0.00312724/step, 0.957282 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3898000 3914.1195 20589.9301 14409.4543 260.0368 -203535.0106 2683.6504 0.0000 0.0000 52059.5825 -109618.2371 299.1871 -161677.8196 -109255.4947 299.0216 155.9357 181.8752 759808.7020 -17.1887 -17.2057 PRESSURE: 3898200 166.708 43.9902 -195.79 43.9912 215.988 -131.588 -195.789 -131.588 238.269 GPRESSURE: 3898200 238.174 -16.5657 -183.6 35.0199 199.026 -193.428 -155.944 -91.6667 247.661 PRESSAVG: 3898200 85.5718 -8.83611 8.34176 -8.83608 -34.3699 -16.9607 8.34186 -16.9607 -7.59808 GPRESSAVG: 3898200 85.4449 -7.71982 8.06896 -8.72527 -34.7875 -18.6363 9.12338 -14.904 -7.14383 TIMING: 3898200 CPU: 12644.3, 0.00311492/step Wall: 12644.3, 0.00311492/step, 0.953339 hours remaining, 234.335938 MB of memory in use. ENERGY: 3898200 3983.0211 20447.8045 14327.2543 247.4356 -204096.2498 3044.6921 0.0000 0.0000 52335.3020 -109710.7403 300.7717 -162046.0423 -109341.3639 299.1446 206.9887 228.2867 759169.3672 14.5346 14.5045 PRESSURE: 3898400 -296.517 143.592 -87.5497 143.592 -166.288 29.8052 -87.5493 29.8048 -49.9701 GPRESSURE: 3898400 -276.212 21.1728 -67.4457 135.274 -84.1921 5.91608 -159.566 20.4705 -67.5101 PRESSAVG: 3898400 37.3787 35.8034 -6.7772 35.8034 -55.6088 12.983 -6.77717 12.9829 -4.31392 GPRESSAVG: 3898400 36.2017 34.3459 -6.68202 36.6576 -53.5481 14.6109 -8.75331 11.1244 -5.01562 TIMING: 3898400 CPU: 12644.9, 0.00311461/step Wall: 12644.9, 0.00311461/step, 0.95307 hours remaining, 234.335938 MB of memory in use. ENERGY: 3898400 3991.4299 20609.7927 14383.5840 246.1530 -203455.7975 2498.8932 0.0000 0.0000 51977.7327 -109748.2120 298.7167 -161725.9447 -109391.3361 298.8452 -170.9249 -142.6382 761661.8785 -7.5147 -7.4540 PRESSURE: 3898600 -58.3247 16.2527 -22.5912 16.2523 -103.274 106.141 -22.5921 106.141 195.838 GPRESSURE: 3898600 -41.65 -13.1652 7.26927 41.4546 -141.846 38.1078 -167.975 185.678 301.028 PRESSAVG: 3898600 -33.6746 -26.0873 -27.9188 -26.0873 28.3263 -25.4051 -27.9189 -25.4049 12.6863 GPRESSAVG: 3898600 -31.6246 -25.4098 -27.3887 -26.4505 25.4098 -25.3151 -26.6015 -25.3607 12.704 TIMING: 3898600 CPU: 12645.5, 0.00311265/step Wall: 12645.5, 0.00311265/step, 0.952298 hours remaining, 234.335938 MB of memory in use. ENERGY: 3898600 4039.0130 20573.0456 14378.7961 250.7692 -203719.1538 2600.8643 0.0000 0.0000 52070.0443 -109806.6214 299.2473 -161876.6657 -109446.2157 298.6840 11.4129 39.1773 760955.9300 2.4460 2.1631 PRESSURE: 3898800 -30.8364 -94.3068 -182.71 -94.3072 -42.6135 75.9183 -182.71 75.9191 -121.288 GPRESSURE: 3898800 30.0633 -72.463 -134.351 12.2386 6.70292 220.388 -92.6969 43.303 -146.777 PRESSAVG: 3898800 -0.0816639 -16.9217 39.0228 -16.9218 -32.6639 5.97142 39.0228 5.97152 1.31632 GPRESSAVG: 3898800 -0.46909 -15.7873 39.9059 -16.6945 -32.3566 6.18361 39.0434 7.21707 1.21489 TIMING: 3898800 CPU: 12646.1, 0.00310454/step Wall: 12646.1, 0.00310454/step, 0.949645 hours remaining, 234.335938 MB of memory in use. ENERGY: 3898800 4022.4644 20502.0857 14381.9503 263.1345 -203548.5893 2793.6329 0.0000 0.0000 51824.9641 -109760.3575 297.8388 -161585.3216 -109398.8091 298.7912 -64.9127 -36.6704 761613.5386 -10.4764 -10.5369 PRESSURE: 3899000 140.368 -136.596 -220.562 -136.596 211.998 72.3119 -220.562 72.3121 -64.9945 GPRESSURE: 3899000 84.8334 -135.37 -174.761 -54.8894 301.289 71.9117 -277.465 54.6941 0.932267 PRESSAVG: 3899000 -9.02636 25.2366 23.8183 25.2366 -5.38925 20.1079 23.8184 20.1079 -3.42856 GPRESSAVG: 3899000 -8.95841 25.0293 22.1023 27.0122 -5.38597 19.6742 23.703 20.4189 -3.39964 TIMING: 3899000 CPU: 12646.7, 0.00311287/step Wall: 12646.7, 0.00311287/step, 0.952019 hours remaining, 234.335938 MB of memory in use. ENERGY: 3899000 3987.1258 20565.4101 14422.1392 241.2659 -203611.2207 2779.9794 0.0000 0.0000 51996.3277 -109618.9726 298.8236 -161615.3003 -109250.3510 298.5827 95.7905 129.0182 762004.1712 -5.9481 -5.9147 PRESSURE: 3899200 182.846 -73.8333 3.42109 -73.8338 -231.317 -203.847 3.42061 -203.846 -54.4937 GPRESSURE: 3899200 236.535 -143.09 13.0687 -81.6709 -140.011 -226.144 -40.7051 -84.6374 -120.394 PRESSAVG: 3899200 16.7614 -26.3523 -8.49986 -26.3524 -8.90803 -17.7585 -8.49993 -17.7585 17.1384 GPRESSAVG: 3899200 15.7286 -27.78 -8.07201 -28.0001 -8.02849 -17.4275 -7.73748 -17.1968 16.9976 TIMING: 3899200 CPU: 12647.4, 0.0031247/step Wall: 12647.4, 0.0031247/step, 0.955464 hours remaining, 234.335938 MB of memory in use. ENERGY: 3899200 4025.8323 20562.5036 14388.0646 234.9982 -203724.7161 2805.6982 0.0000 0.0000 52081.4667 -109626.1525 299.3129 -161707.6192 -109256.7494 298.8194 -34.3215 -7.9566 761756.9339 8.3306 8.2326 PRESSURE: 3899400 221.812 -233.404 101.886 -233.405 -237.109 25.1097 101.885 25.1095 48.346 GPRESSURE: 3899400 133.869 -147.545 58.7573 -189.846 -56.0638 56.7214 90.0101 100.938 61.1839 PRESSAVG: 3899400 17.2086 -53.3303 -14.3263 -53.3302 17.5704 -2.44299 -14.3263 -2.44299 -5.00145 GPRESSAVG: 3899400 17.3331 -52.9591 -15.0857 -52.1639 17.158 -1.00194 -13.5361 -4.30593 -4.50924 TIMING: 3899400 CPU: 12648, 0.00312155/step Wall: 12648, 0.00312155/step, 0.954327 hours remaining, 234.335938 MB of memory in use. ENERGY: 3899400 3943.2090 20571.9408 14312.6294 258.1232 -203391.5061 2757.8513 0.0000 0.0000 51955.8502 -109591.9022 298.5910 -161547.7524 -109225.5172 298.6310 11.0165 46.3296 762204.0997 9.9259 9.9939 PRESSURE: 3899600 -179.247 -87.2698 -54.3819 -87.2703 311.865 14.036 -54.3827 14.0363 -131.764 GPRESSURE: 3899600 -117.803 -110.35 -55.8717 -13.7602 265.791 24.1457 -110.015 94.9371 -70.6927 PRESSAVG: 3899600 14.6394 -16.8878 -58.5395 -16.8878 16.9809 -5.57853 -58.5395 -5.57844 -8.74972 GPRESSAVG: 3899600 15.6374 -17.1754 -56.778 -16.6387 16.5827 -7.24321 -60.0401 -2.88739 -9.2343 TIMING: 3899600 CPU: 12648.6, 0.0031251/step Wall: 12648.6, 0.0031251/step, 0.955239 hours remaining, 234.335938 MB of memory in use. ENERGY: 3899600 3932.8572 20672.0519 14343.8161 258.2112 -202989.2280 2234.8853 0.0000 0.0000 52092.0485 -109455.3577 299.3737 -161547.4063 -109102.1740 299.1588 0.2842 25.7653 762459.1857 7.6235 7.6619 PRESSURE: 3899800 -108.689 -234.71 -49.8343 -234.709 -303.371 -152.266 -49.8343 -152.267 60.4904 GPRESSURE: 3899800 -156.071 -278.008 46.8572 -163.187 -237.823 -171.29 -73.4052 -55.5085 115.382 PRESSAVG: 3899800 -40.5382 -60.2271 -91.5678 -60.2271 42.0078 17.3432 -91.5677 17.3433 1.54489 GPRESSAVG: 3899800 -41.891 -61.2579 -92.8286 -59.4588 42.6399 17.3985 -93.8231 15.0343 2.13481 TIMING: 3899800 CPU: 12649.2, 0.00313771/step Wall: 12649.2, 0.00313771/step, 0.958918 hours remaining, 234.335938 MB of memory in use. ENERGY: 3899800 3965.6329 20693.0890 14481.1456 239.4649 -203119.0116 2349.8305 0.0000 0.0000 51987.0698 -109402.7788 298.7704 -161389.8486 -109040.6719 299.1977 -117.1899 -92.8374 762432.6980 1.0048 0.9612 PRESSURE: 3900000 104.061 -141.867 -78.4142 -141.867 238.558 116.499 -78.4139 116.5 286.875 GPRESSURE: 3900000 48.9582 -100.323 -11.7362 -124.24 314.973 79.9248 -32.0933 137.207 360.002 PRESSAVG: 3900000 13.6569 -45.7662 4.15351 -45.7662 0.436447 -27.3879 4.15358 -27.388 1.73879 GPRESSAVG: 3900000 14.182 -43.5449 4.70384 -46.0092 0.163033 -27.7234 6.28311 -26.4403 0.990446 TIMING: 3900000 CPU: 12649.9, 0.00315165/step Wall: 12649.9, 0.00315165/step, 0.963004 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3900000 4000.2217 20448.9207 14404.1997 248.9881 -203687.9850 2814.8487 0.0000 0.0000 52331.7023 -109439.1038 300.7510 -161770.8061 -109075.5362 299.5215 209.8314 241.3109 760411.3460 5.2774 5.1118 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.4.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 -124.163 -73.7632 -71.1645 -73.7636 86.4781 -35.5723 -71.1649 -35.5734 -138.734 GPRESSURE: 3900200 -62.4261 -76.5046 -48.0092 -154.162 127.585 -138.308 -132.012 -74.7248 -132.143 PRESSAVG: 3900200 -6.21179 18.409 -25.132 18.409 -29.5067 -6.66555 -25.132 -6.66554 13.8196 GPRESSAVG: 3900200 -7.12243 17.4179 -24.0288 18.5054 -29.0771 -6.53984 -24.2648 -7.64591 14.6318 TIMING: 3900200 CPU: 12650.5, 0.00322449/step Wall: 12650.5, 0.00322449/step, 0.985083 hours remaining, 234.335938 MB of memory in use. ENERGY: 3900200 3972.1122 20642.5756 14451.6540 242.0246 -203363.7734 2612.2516 0.0000 0.0000 51969.3313 -109473.8241 298.6685 -161443.1553 -109115.4456 299.0444 -58.8063 -22.3283 760406.7755 -7.2996 -7.1893 LDB: ============= START OF LOAD BALANCING ============== 12662.9 LDB: ============== END OF LOAD BALANCING =============== 12662.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12662.9 LDB: ============= START OF LOAD BALANCING ============== 12663.3 LDB: Largest compute 7033 load 0.032201 is 16.5% of average load 0.195484 LDB: Average compute 0.004405 is 2.3% of average load 0.195484 LDB: TIME 12663.3 LOAD: AVG 0.195484 MAX 0.21789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.18 MB LDB: TIME 12663.3 LOAD: AVG 0.195484 MAX 0.21789 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: TIME 12663.3 LOAD: AVG 0.195484 MAX 0.21789 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: ============== END OF LOAD BALANCING =============== 12663.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12663.3 PRESSURE: 3900400 -160.584 -0.926805 -88.7584 -0.927105 -70.5481 -191.857 -88.7593 -191.857 -488.678 GPRESSURE: 3900400 -64.6221 12.9655 -39.9699 -37.3972 -122.376 -248.746 -142.261 -75.5172 -439.65 PRESSAVG: 3900400 -4.04012 -48.8081 -40.3275 -48.8081 4.77554 8.30584 -40.3275 8.30585 -0.297958 GPRESSAVG: 3900400 -3.20532 -48.4971 -40.4057 -49.3469 5.35195 8.82026 -41.5634 7.72418 -1.51632 TIMING: 3900400 CPU: 12651.2, 0.00318559/step Wall: 12651.2, 0.00318559/step, 0.973022 hours remaining, 234.882812 MB of memory in use. ENERGY: 3900400 4008.0033 20577.1060 14446.0149 241.7440 -203097.8428 2247.0831 0.0000 0.0000 51900.4892 -109677.4023 298.2728 -161577.8915 -109325.6437 299.0537 -239.9368 -208.8826 760206.3578 0.1458 0.2101 PRESSURE: 3900600 297.715 26.9457 75.9861 26.9457 149.299 116.839 75.9857 116.839 159.299 GPRESSURE: 3900600 375.879 159.813 26.4672 -24.4504 108.459 121.123 59.1716 128.396 212.52 PRESSAVG: 3900600 -29.5433 19.387 -16.5553 19.387 19.7044 3.78762 -16.5553 3.78757 14.852 GPRESSAVG: 3900600 -28.7293 18.7737 -18.1386 20.2218 18.6395 3.50118 -16.9084 6.41862 15.0976 TIMING: 3900600 CPU: 12651.8, 0.0031513/step Wall: 12651.8, 0.0031513/step, 0.962371 hours remaining, 235.144531 MB of memory in use. ENERGY: 3900600 4000.4246 20548.0651 14403.2579 249.2671 -203151.7796 2588.4846 0.0000 0.0000 51812.7172 -109549.5632 297.7684 -161362.2804 -109188.5772 298.7841 202.1044 232.2859 761908.8622 1.6710 1.6692 PRESSURE: 3900800 62.7972 -78.5964 -186.982 -78.5966 401.982 61.9283 -186.982 61.9275 -65.661 GPRESSURE: 3900800 173.562 -0.671997 -213.791 -42.5139 272.072 56.4488 -122.469 75.3686 37.0639 PRESSAVG: 3900800 -12.2105 -27.8422 -85.2683 -27.8423 8.90835 -3.44993 -85.2683 -3.44995 -21.1272 GPRESSAVG: 3900800 -12.2833 -27.9813 -84.999 -28.8504 8.78179 -3.12844 -83.5578 -6.05685 -20.7482 TIMING: 3900800 CPU: 12652.4, 0.00314528/step Wall: 12652.4, 0.00314528/step, 0.96036 hours remaining, 235.144531 MB of memory in use. ENERGY: 3900800 3997.5981 20598.1617 14404.4154 230.5503 -203321.8684 2660.7500 0.0000 0.0000 51951.0863 -109479.3066 298.5636 -161430.3929 -109127.6550 299.1520 133.0393 160.8993 761445.0628 -8.1431 -8.0832 PRESSURE: 3901000 334.08 195.559 7.78676 195.559 290.44 39.1887 7.78662 39.1877 212.553 GPRESSURE: 3901000 387.071 116.771 19.831 137.133 310.921 83.9368 32.5248 60.4783 213.642 PRESSAVG: 3901000 -5.73495 -2.38656 -104.188 -2.38651 27.9284 10.9859 -104.188 10.9859 12.7672 GPRESSAVG: 3901000 -5.86487 -2.95482 -103.715 -2.45144 27.6226 11.7217 -105.85 11.0961 13.4338 TIMING: 3901000 CPU: 12653, 0.00313132/step Wall: 12653, 0.00313132/step, 0.955924 hours remaining, 235.144531 MB of memory in use. ENERGY: 3901000 4004.7803 20481.6194 14504.0931 253.1013 -203589.4776 2645.4242 0.0000 0.0000 52293.2734 -109407.1859 300.5302 -161700.4593 -109045.6395 299.5961 279.0243 303.8783 759612.4092 11.6535 11.7305 PRESSURE: 3901200 45.9001 -20.8217 4.51327 -20.8215 57.1375 -252.127 4.51262 -252.126 121.391 GPRESSURE: 3901200 92.7613 -45.7408 -173.212 -41.3122 82.3213 -261.861 -46.8061 -259.534 141.375 PRESSAVG: 3901200 36.6795 -6.75161 -39.1573 -6.75162 31.536 -0.73875 -39.1573 -0.738746 -1.04712 GPRESSAVG: 3901200 34.6852 -5.40603 -40.3608 -5.91306 32.489 -2.59109 -39.2354 -0.334104 -0.435649 TIMING: 3901200 CPU: 12653.7, 0.00314552/step Wall: 12653.7, 0.00314552/step, 0.960081 hours remaining, 235.144531 MB of memory in use. ENERGY: 3901200 3990.8367 20355.1083 14459.3392 248.8384 -203376.2035 2648.4974 0.0000 0.0000 52354.6503 -109318.9332 300.8829 -161673.5835 -108953.1906 300.1930 74.8094 105.4858 761731.1052 22.3895 22.2462 PRESSURE: 3901400 -96.0622 -403.034 -190.937 -403.035 139.054 -83.1308 -190.937 -83.1314 159.796 GPRESSURE: 3901400 -12.6523 -415.136 -38.9274 -236.158 82.5943 -156.881 -195.071 -32.9855 244.552 PRESSAVG: 3901400 -5.56122 -24.1055 -42.3729 -24.1056 38.6251 -28.0371 -42.3729 -28.0372 23.9813 GPRESSAVG: 3901400 -3.61511 -23.0368 -40.8574 -21.7042 38.0295 -27.4587 -41.5001 -26.0424 23.305 TIMING: 3901400 CPU: 12654.3, 0.00313375/step Wall: 12654.3, 0.00313375/step, 0.956316 hours remaining, 235.144531 MB of memory in use. ENERGY: 3901400 3975.4282 20525.1760 14463.3220 250.5237 -203128.0766 2223.5461 0.0000 0.0000 52391.3844 -109298.6963 301.0940 -161690.0807 -108936.4916 300.1740 67.5960 104.8314 759973.5765 19.0151 19.2398 PRESSURE: 3901600 -69.1634 -117.898 74.8546 -117.898 18.859 -89.9181 74.8548 -89.9171 -415.948 GPRESSURE: 3901600 -47.7537 -115.647 54.4158 -151.349 -18.1187 -112.066 122.568 -172.882 -340.116 PRESSAVG: 3901600 23.0421 -73.6582 -37.8818 -73.6583 -15.0182 -50.4467 -37.8818 -50.4467 -7.99243 GPRESSAVG: 3901600 22.911 -74.727 -39.4701 -75.8816 -15.5463 -51.1014 -39.1724 -50.4896 -7.42958 TIMING: 3901600 CPU: 12654.9, 0.00312576/step Wall: 12654.9, 0.00312576/step, 0.953705 hours remaining, 235.144531 MB of memory in use. ENERGY: 3901600 4019.5321 20479.7212 14537.5890 225.8261 -203453.2793 2555.3970 0.0000 0.0000 52001.3505 -109633.8634 298.8525 -161635.2139 -109272.6231 299.4414 -155.4173 -135.3295 760280.4815 0.0105 -0.0216 PRESSURE: 3901800 408.161 239.647 -346.544 239.647 188.921 148.771 -346.545 148.771 229.269 GPRESSURE: 3901800 369.891 95.2903 -379.321 180.433 232.38 151.726 -264.819 199.226 295.615 PRESSAVG: 3901800 16.1906 6.27387 -56.6899 6.27391 44.488 -30.2637 -56.69 -30.2637 -4.29919 GPRESSAVG: 3901800 16.2367 7.47344 -54.3297 3.34848 44.9657 -28.3372 -54.6287 -33.4007 -4.8035 TIMING: 3901800 CPU: 12655.6, 0.00313875/step Wall: 12655.6, 0.00313875/step, 0.957494 hours remaining, 235.214844 MB of memory in use. ENERGY: 3901800 4022.8832 20559.3171 14482.4080 255.1413 -203762.9092 2835.9464 0.0000 0.0000 51963.6544 -109643.5588 298.6358 -161607.2132 -109296.8667 299.1357 275.4504 299.2956 760775.4792 18.7931 18.7996 PRESSURE: 3902000 -79.2564 99.7716 -67.1343 99.7713 236.026 75.337 -67.1351 75.3367 269.427 GPRESSURE: 3902000 -60.7191 -42.0839 -30.9979 220.127 246.726 101.208 -139.719 2.72668 319.558 PRESSAVG: 3902000 -26.1605 35.9309 -24.221 35.931 32.0504 -8.86592 -24.221 -8.86593 -29.6267 GPRESSAVG: 3902000 -27.4099 32.9809 -25.8822 39.2754 33.4212 -9.79584 -26.6044 -8.32559 -29.9668 TIMING: 3902000 CPU: 12656.2, 0.00312637/step Wall: 12656.2, 0.00312637/step, 0.953543 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3902000 3941.5993 20542.3917 14544.4620 241.1002 -203825.4814 2744.6201 0.0000 0.0000 52114.4612 -109696.8469 299.5025 -161811.3080 -109330.7135 299.4398 142.0654 168.5215 758879.5534 -7.9123 -7.9852 PRESSURE: 3902200 -88.3583 -32.9474 52.7653 -32.9479 -88.3756 134.173 52.7661 134.173 -457.779 GPRESSURE: 3902200 -97.982 61.7078 133.656 -125.027 -61.2976 147.989 -73.3882 138.41 -379.283 PRESSAVG: 3902200 -12.1945 -3.84894 -18.2061 -3.84894 19.2133 55.5982 -18.2061 55.5982 15.1778 GPRESSAVG: 3902200 -11.2363 -1.97434 -19.2853 -5.09611 17.8723 54.6503 -16.0306 56.4539 15.4499 TIMING: 3902200 CPU: 12656.8, 0.00313768/step Wall: 12656.8, 0.00313768/step, 0.956819 hours remaining, 235.281250 MB of memory in use. ENERGY: 3902200 4019.7087 20489.0464 14546.5490 236.2910 -203734.2221 2527.8154 0.0000 0.0000 51991.4514 -109923.3602 298.7956 -161914.8116 -109564.2176 298.8312 -211.5042 -179.5208 761519.6671 7.3988 7.3619 PRESSURE: 3902400 235.718 -9.13237 -117.688 -9.13316 259.577 17.6282 -117.69 17.6287 -87.3923 GPRESSURE: 3902400 283.738 27.5535 -151.421 -76.0411 218.645 -87.4555 -161.962 80.9744 -21.0999 PRESSAVG: 3902400 -30.0107 33.6066 -33.7434 33.6066 10.7714 14.6466 -33.7434 14.6465 18.2732 GPRESSAVG: 3902400 -31.0635 33.4865 -33.4933 33.5817 12.4163 15.0269 -33.9719 13.8951 18.2133 TIMING: 3902400 CPU: 12657.4, 0.00312118/step Wall: 12657.4, 0.00312118/step, 0.951613 hours remaining, 235.281250 MB of memory in use. ENERGY: 3902400 3938.4706 20517.7633 14451.1002 239.1756 -203583.9767 2477.4833 0.0000 0.0000 51941.9226 -110018.0612 298.5109 -161959.9837 -109648.8928 298.4377 135.9676 160.4277 760457.4941 -0.3221 -0.1446 PRESSURE: 3902600 104.87 11.6209 -14.5675 11.6206 268.398 -223.366 -14.5682 -223.366 281.475 GPRESSURE: 3902600 169.127 -27.9789 28.8036 12.4765 264.863 -266.746 -81.0557 -202.049 309.142 PRESSAVG: 3902600 -20.0033 6.28012 -43.1961 6.28011 -15.4051 -0.289673 -43.196 -0.28966 6.74272 GPRESSAVG: 3902600 -19.0593 5.39124 -41.5461 7.90407 -16.4013 0.153123 -41.9332 1.89258 6.36268 TIMING: 3902600 CPU: 12658.1, 0.00310373/step Wall: 12658.1, 0.00310373/step, 0.946119 hours remaining, 235.281250 MB of memory in use. ENERGY: 3902600 3979.3846 20517.7834 14495.2496 261.9795 -204035.6868 2769.7080 0.0000 0.0000 51989.8357 -110021.7461 298.7863 -162011.5818 -109652.3107 298.5336 218.2477 247.7107 759981.5108 -9.5552 -9.6993 PRESSURE: 3902800 63.0615 103.312 172.12 103.312 36.987 -46.3043 172.12 -46.3047 -48.9055 GPRESSURE: 3902800 33.8989 91.3626 156.001 -35.4112 135.091 -55.3662 175.466 -52.1274 -24.6337 PRESSAVG: 3902800 4.91255 39.1837 -48.661 39.1837 12.4486 -37.1019 -48.661 -37.102 -16.5744 GPRESSAVG: 3902800 5.33531 38.7009 -50.0251 37.624 11.7982 -39.0159 -52.1307 -36.5481 -16.321 TIMING: 3902800 CPU: 12658.7, 0.00312457/step Wall: 12658.7, 0.00312457/step, 0.952299 hours remaining, 235.281250 MB of memory in use. ENERGY: 3902800 3988.3796 20454.8897 14416.2462 253.4174 -203848.5161 2793.8202 0.0000 0.0000 51825.7565 -110116.0064 297.8433 -161941.7629 -109746.2665 298.2867 17.0476 48.1187 761747.6762 0.2623 0.2708 PRESSURE: 3903000 -191.829 243.962 70.9818 243.963 -129.062 -228.567 70.9817 -228.568 -24.5084 GPRESSURE: 3903000 -149.821 239.641 71.7643 340.491 -120.018 -159.802 -30.8826 -264.935 20.3924 PRESSAVG: 3903000 23.0261 22.8352 -30.8489 22.8352 16.1882 20.2364 -30.8489 20.2364 25.748 GPRESSAVG: 3903000 22.1108 24.4677 -30.4259 21.6612 17.5987 22.2172 -26.4572 19.9857 25.2471 TIMING: 3903000 CPU: 12659.3, 0.00312863/step Wall: 12659.3, 0.00312863/step, 0.953363 hours remaining, 235.281250 MB of memory in use. ENERGY: 3903000 3967.3168 20558.0316 14491.7394 221.4622 -203747.3587 2733.3075 0.0000 0.0000 52075.4429 -109700.0583 299.2783 -161775.5012 -109341.5448 298.4670 -115.1332 -83.1490 759344.2748 21.6541 21.6522 PRESSURE: 3903200 -409.91 -59.4598 38.2948 -59.4592 -156.689 -14.6959 38.2956 -14.6946 -482.342 GPRESSURE: 3903200 -428.581 -114.221 41.6627 -20.4674 -24.9523 -31.7807 -35.0066 111.21 -529.414 PRESSAVG: 3903200 29.3328 -33.8356 5.7152 -33.8356 3.57462 16.8316 5.71521 16.8316 -2.95648 GPRESSAVG: 3903200 29.2363 -32.3088 5.37777 -33.7593 3.76003 16.2583 4.22779 15.3298 -3.49083 TIMING: 3903200 CPU: 12659.9, 0.00311338/step Wall: 12659.9, 0.00311338/step, 0.948544 hours remaining, 235.281250 MB of memory in use. ENERGY: 3903200 3991.8652 20544.9413 14434.5103 231.0725 -203180.6740 2220.9890 0.0000 0.0000 51950.6130 -109806.6827 298.5609 -161757.2957 -109449.6009 299.2867 -349.6470 -327.6492 759801.0139 9.9836 9.8352 PRESSURE: 3903400 19.3747 32.6522 158.472 32.6517 82.9078 214.251 158.472 214.252 45.5023 GPRESSURE: 3903400 33.8561 110.822 173.144 29.2991 99.8757 178.234 -19.4014 250.146 76.7669 PRESSAVG: 3903400 10.0677 -28.8756 -64.3402 -28.8756 -37.7319 17.1346 -64.3402 17.1346 -24.6524 GPRESSAVG: 3903400 8.57935 -29.8518 -63.9001 -28.3312 -38.0197 17.8987 -65.3945 18.5615 -22.7328 TIMING: 3903400 CPU: 12660.6, 0.00311913/step Wall: 12660.6, 0.00311913/step, 0.950122 hours remaining, 235.281250 MB of memory in use. ENERGY: 3903400 4133.1406 20505.0207 14433.5370 231.9621 -203621.8409 2675.3261 0.0000 0.0000 51960.9252 -109681.9292 298.6202 -161642.8544 -109321.8786 299.0597 49.2616 70.1662 759311.7780 -17.4388 -17.3911 PRESSURE: 3903600 74.7754 21.5953 -6.86599 21.5956 87.5612 81.48 -6.86578 81.4791 125.178 GPRESSURE: 3903600 206.097 -21.7604 20.2004 -2.00175 150.053 137.77 119.482 94.6445 33.1061 PRESSAVG: 3903600 71.4229 -32.3725 23.8084 -32.3724 -29.7984 34.0425 23.8085 34.0424 6.68762 GPRESSAVG: 3903600 73.1769 -31.627 22.0696 -31.783 -29.9379 34.5714 23.8596 31.4838 5.21536 TIMING: 3903600 CPU: 12661.2, 0.00312958/step Wall: 12661.2, 0.00312958/step, 0.953131 hours remaining, 235.281250 MB of memory in use. ENERGY: 3903600 4037.8088 20462.7735 14402.1134 227.7753 -203518.8177 2692.9472 0.0000 0.0000 52041.9740 -109653.4255 299.0859 -161695.3995 -109290.0610 298.9403 95.8383 129.7521 759247.8520 16.1040 16.1515 PRESSURE: 3903800 122.312 192.441 102.685 192.441 108.777 132.15 102.684 132.151 31.0691 GPRESSURE: 3903800 76.5254 106.145 110.298 171.202 176.778 92.5368 -2.93423 18.5776 94.453 PRESSAVG: 3903800 4.72078 -21.2028 -47.9731 -21.2028 8.21374 -19.678 -47.973 -19.678 -17.7488 GPRESSAVG: 3903800 4.29977 -23.0752 -46.6218 -19.833 7.21689 -20.2075 -49.542 -18.4879 -16.3165 TIMING: 3903800 CPU: 12661.8, 0.00310366/step Wall: 12661.8, 0.00310366/step, 0.945064 hours remaining, 235.281250 MB of memory in use. ENERGY: 3903800 3971.0507 20584.7004 14402.9366 238.9099 -203432.3005 2632.4214 0.0000 0.0000 51879.1009 -109723.1805 298.1499 -161602.2814 -109357.1573 299.3552 87.3860 115.9188 758175.9182 -1.6048 -1.5999 PRESSURE: 3904000 69.0769 105.991 -8.37307 105.991 -65.6045 88.7014 -8.37297 88.6991 -44.3918 GPRESSURE: 3904000 75.0179 169.113 -141.957 192.31 -37.3508 168.35 88.2198 109.298 9.48269 PRESSAVG: 3904000 37.7838 -18.322 -38.4717 -18.322 -23.8623 -8.21919 -38.4716 -8.21918 -8.53099 GPRESSAVG: 3904000 37.3453 -16.2699 -39.9945 -19.6934 -24.4165 -8.06788 -37.0499 -9.35993 -8.16615 TIMING: 3904000 CPU: 12662.4, 0.00314379/step Wall: 12662.4, 0.00314379/step, 0.957109 hours remaining, 235.281250 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: 3904000 4007.1889 20375.3588 14358.2892 235.7202 -203393.2844 2872.3907 0.0000 0.0000 51825.6677 -109718.6689 297.8428 -161544.3366 -109359.1049 298.8935 -13.6398 15.7166 760198.5440 1.7968 1.5875 PRESSURE: 3904200 330.082 -72.2985 175.712 -72.2989 89.0499 -63.0264 175.712 -63.0267 -65.0646 GPRESSURE: 3904200 269.726 -72.6576 177.843 -9.5226 183.187 -73.1461 166.908 -45.9074 1.72282 PRESSAVG: 3904200 20.335 -20.2346 -43.2508 -20.2347 -4.70201 3.87366 -43.2508 3.87364 6.86055 GPRESSAVG: 3904200 20.0742 -20.0124 -41.2179 -20.629 -4.12706 4.70139 -41.641 5.80578 6.11388 TIMING: 3904200 CPU: 12663.1, 0.00312929/step Wall: 12663.1, 0.00312929/step, 0.952521 hours remaining, 235.281250 MB of memory in use. ENERGY: 3904200 3926.2138 20451.8602 14446.9488 250.0702 -203806.6948 2804.0233 0.0000 0.0000 52304.3937 -109623.1848 300.5941 -161927.5785 -109255.1932 298.9426 118.0223 151.5454 757244.6694 7.4979 7.3537 LDB: ============= START OF LOAD BALANCING ============== 12675.5 LDB: ============== END OF LOAD BALANCING =============== 12675.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12675.5 LDB: ============= START OF LOAD BALANCING ============== 12675.8 LDB: Largest compute 7068 load 0.032233 is 16.5% of average load 0.195465 LDB: Average compute 0.004407 is 2.3% of average load 0.195465 LDB: TIME 12675.8 LOAD: AVG 0.195465 MAX 0.215598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 12675.8 LOAD: AVG 0.195465 MAX 0.215598 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: TIME 12675.8 LOAD: AVG 0.195465 MAX 0.215598 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: ============== END OF LOAD BALANCING =============== 12675.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12675.8 PRESSURE: 3904400 70.2075 2.15528 -148.807 2.15497 -90.3244 -137.889 -148.808 -137.89 -214.237 GPRESSURE: 3904400 115.845 119.065 -243.216 59.5786 1.26592 -169.279 -132.713 -128.816 -285.12 PRESSAVG: 3904400 13.5249 -63.4906 -19.0515 -63.4906 -17.8757 -4.99311 -19.0515 -4.99306 -8.70699 GPRESSAVG: 3904400 14.8096 -64.3281 -19.9962 -61.2817 -17.6123 -5.24323 -18.6229 -6.45974 -10.0677 TIMING: 3904400 CPU: 12663.7, 0.00319857/step Wall: 12663.7, 0.00319857/step, 0.973433 hours remaining, 234.882812 MB of memory in use. ENERGY: 3904400 4026.2584 20433.3974 14450.5045 233.6420 -203381.0969 2453.3744 0.0000 0.0000 52245.5830 -109538.3371 300.2561 -161783.9200 -109162.3783 299.1578 -78.1180 -56.0031 760574.8066 -4.3526 -4.2901 PRESSURE: 3904600 16.7245 -192.885 -73.5521 -192.885 -231.398 86.575 -73.5533 86.575 55.2189 GPRESSURE: 3904600 21.5361 -303.919 1.25025 -186.26 -180.417 106.03 -82.5486 52.9707 82.4592 PRESSAVG: 3904600 30.9192 -10.4035 -38.796 -10.4035 -60.2515 -7.10649 -38.796 -7.10647 -6.20143 GPRESSAVG: 3904600 30.4519 -11.5979 -38.1455 -10.5766 -60.1721 -7.51449 -40.4884 -6.2623 -5.7744 TIMING: 3904600 CPU: 12664.3, 0.00312754/step Wall: 12664.3, 0.00312754/step, 0.951642 hours remaining, 235.269531 MB of memory in use. ENERGY: 3904600 4033.2510 20528.1764 14404.9844 248.1732 -203450.1200 2505.8864 0.0000 0.0000 52208.5974 -109521.0510 300.0435 -161729.6484 -109158.4372 299.6339 -53.1517 -25.4739 759192.2374 -11.8446 -11.8315 PRESSURE: 3904800 -271.502 115.443 63.8279 115.443 -429.339 25.0352 63.8275 25.0349 -222.943 GPRESSURE: 3904800 -141.517 183.672 117.937 31.4053 -483.26 32.3445 11.2689 47.1936 -195.972 PRESSAVG: 3904800 39.3892 -76.9498 -47.3659 -76.9498 -34.0494 -15.9417 -47.3658 -15.9417 20.1909 GPRESSAVG: 3904800 40.5675 -78.2311 -47.5599 -77.0607 -34.3804 -13.6123 -46.0516 -18.0594 19.4211 TIMING: 3904800 CPU: 12664.9, 0.00313667/step Wall: 12664.9, 0.00313667/step, 0.954244 hours remaining, 235.281250 MB of memory in use. ENERGY: 3904800 4009.7870 20545.1992 14510.4238 252.9738 -203119.9387 2233.1080 0.0000 0.0000 51956.1223 -109612.3245 298.5925 -161568.4468 -109253.6059 299.2058 -307.9282 -273.5831 759532.4545 8.5102 8.5361 PRESSURE: 3905000 37.9408 -89.0268 -59.6381 -89.0265 -10.6915 268.724 -59.6395 268.725 -41.436 GPRESSURE: 3905000 47.2433 -26.3119 -48.4766 -6.43043 124.869 230.321 91.3575 247.812 -81.9279 PRESSAVG: 3905000 6.2 -49.0332 -70.5988 -49.0332 -37.4194 -13.2701 -70.5988 -13.2702 2.87101 GPRESSAVG: 3905000 6.53005 -46.5559 -69.564 -50.2475 -38.7316 -15.3666 -69.2012 -10.4822 4.05677 TIMING: 3905000 CPU: 12665.6, 0.00311787/step Wall: 12665.6, 0.00311787/step, 0.948352 hours remaining, 235.281250 MB of memory in use. ENERGY: 3905000 3961.9624 20362.7526 14482.4038 232.7317 -203799.1027 2781.1451 0.0000 0.0000 52214.2475 -109763.8596 300.0760 -161978.1071 -109401.5617 299.0133 -4.7289 30.0613 760332.6559 -9.4495 -9.3816 PRESSURE: 3905200 147.875 141.107 -80.9979 141.107 -28.4728 9.70024 -80.9984 9.6997 59.2923 GPRESSURE: 3905200 172.677 128.142 -156.934 195.113 6.01292 44.2238 -31.1454 -85.6486 86.8243 PRESSAVG: 3905200 9.6351 -40.619 -67.5173 -40.6191 -37.2641 -11.6083 -67.5174 -11.6083 19.0154 GPRESSAVG: 3905200 9.32656 -42.1585 -67.7843 -40.0364 -36.1744 -11.2089 -69.9595 -11.8894 18.5134 TIMING: 3905200 CPU: 12666.2, 0.0031229/step Wall: 12666.2, 0.0031229/step, 0.949707 hours remaining, 235.281250 MB of memory in use. ENERGY: 3905200 3939.1563 20494.9356 14409.0910 248.5235 -203813.4294 2751.9650 0.0000 0.0000 52123.3591 -109846.3990 299.5537 -161969.7581 -109491.0360 299.0171 59.5649 88.5046 759721.6414 -2.8712 -2.7781 PRESSURE: 3905400 -198.667 -125.529 113.255 -125.53 -152.637 50.7714 113.256 50.7721 -2.92329 GPRESSURE: 3905400 -163.617 -79.6398 138.333 -126.165 -63.9338 23.4825 47.7063 97.2226 -32.3655 PRESSAVG: 3905400 -15.9066 -35.1047 -61.935 -35.1047 2.16771 18.5455 -61.935 18.5455 2.03329 GPRESSAVG: 3905400 -17.1272 -31.4235 -63.1538 -36.6041 1.94335 19.6218 -59.0814 18.0202 2.64305 TIMING: 3905400 CPU: 12666.8, 0.0031281/step Wall: 12666.8, 0.0031281/step, 0.951116 hours remaining, 235.281250 MB of memory in use. ENERGY: 3905400 3953.7998 20517.7960 14402.4258 244.3282 -203031.5672 2520.1232 0.0000 0.0000 51771.5654 -109621.5289 297.5319 -161393.0942 -109253.4966 299.1495 -118.0755 -86.6387 761224.2407 -3.9019 -4.1803 PRESSURE: 3905600 227.401 -142.364 95.2287 -142.362 32.3127 152.039 95.2292 152.039 97.6859 GPRESSURE: 3905600 228.581 -30.7647 101.852 -115.671 145.218 164.418 130.704 78.9843 60.6696 PRESSAVG: 3905600 18.9332 -29.2905 -14.7749 -29.2905 18.7706 -1.4506 -14.7749 -1.45058 -12.2725 GPRESSAVG: 3905600 19.8936 -30.3682 -13.3341 -27.9392 18.3472 -3.45479 -18.9232 -1.45043 -13.3855 TIMING: 3905600 CPU: 12667.4, 0.00313297/step Wall: 12667.4, 0.00313297/step, 0.952424 hours remaining, 235.281250 MB of memory in use. ENERGY: 3905600 3946.2121 20485.7350 14480.1027 266.6291 -203584.5232 2783.3666 0.0000 0.0000 51779.4625 -109843.0153 297.5773 -161622.4778 -109485.0026 298.6783 119.1333 144.8230 760555.8795 8.4771 8.2851 PRESSURE: 3905800 139.339 124.571 -22.3152 124.571 -145.609 -89.8954 -22.3148 -89.8955 -40.1443 GPRESSURE: 3905800 229.604 180.955 -2.88023 176.251 -149.62 -106.996 1.80394 -76.455 -31.4396 PRESSAVG: 3905800 79.202 14.7009 42.6766 14.7009 -44.1444 -5.19363 42.6766 -5.1937 17.906 GPRESSAVG: 3905800 78.6109 13.5625 41.7071 13.0471 -44.1476 -5.61632 45.7101 -4.4798 18.3828 TIMING: 3905800 CPU: 12668.1, 0.00315567/step Wall: 12668.1, 0.00315567/step, 0.959148 hours remaining, 235.281250 MB of memory in use. ENERGY: 3905800 3939.2044 20470.0345 14474.0280 257.7661 -203419.4645 2506.8683 0.0000 0.0000 51921.6872 -109849.8761 298.3946 -161771.5632 -109494.0888 298.7932 -15.4714 16.1816 760941.6254 17.6545 17.6154 PRESSURE: 3906000 -620.307 -115.555 192.906 -115.555 -317.925 -39.1557 192.907 -39.1561 -99.989 GPRESSURE: 3906000 -524.829 -129.473 151.605 -191.527 -267.428 -116.777 207.601 55.1221 -161.01 PRESSAVG: 3906000 75.8127 -30.9148 17.7311 -30.9147 -24.6925 29.0154 17.7311 29.0154 -5.43968 GPRESSAVG: 3906000 76.2632 -31.4723 18.4781 -30.1776 -25.1305 30.2684 18.3758 30.2472 -5.16147 TIMING: 3906000 CPU: 12668.7, 0.00313643/step Wall: 12668.7, 0.00313643/step, 0.953127 hours remaining, 235.281250 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: 3906000 4000.7548 20482.8110 14505.4791 220.7910 -203075.5904 2110.3389 0.0000 0.0000 52018.0941 -109737.3215 298.9487 -161755.4155 -109384.0740 298.6934 -346.0736 -317.7556 762380.4855 15.2268 15.3237 PRESSURE: 3906200 -424.728 74.4635 -7.10779 74.4628 221.668 -31.4086 -7.10715 -31.4081 -563.117 GPRESSURE: 3906200 -322.147 182.706 -69.5518 154.861 74.4832 1.34605 83.2113 -63.0616 -447.161 PRESSAVG: 3906200 -11.7796 -39.6418 -9.36571 -39.6418 -0.211316 -14.4879 -9.36571 -14.4879 10.5578 GPRESSAVG: 3906200 -12.2348 -38.9835 -10.3411 -39.4642 0.299326 -14.8052 -10.1824 -14.4169 10.5059 TIMING: 3906200 CPU: 12669.3, 0.00313715/step Wall: 12669.3, 0.00313715/step, 0.953171 hours remaining, 235.281250 MB of memory in use. ENERGY: 3906200 3980.8442 20434.3739 14435.9089 233.1855 -203491.1983 2584.6747 0.0000 0.0000 52024.7942 -109797.4169 298.9872 -161822.2111 -109435.1919 298.8233 -255.3922 -231.6083 763453.8347 -0.4777 -0.4765 PRESSURE: 3906400 95.989 73.3963 -46.5555 73.397 87.5938 100.69 -46.5554 100.691 -111.432 GPRESSURE: 3906400 119.687 155.227 -119.414 154.916 126.304 122.537 52.3068 132.374 -70.4408 PRESSAVG: 3906400 -10.2014 -18.5066 -14.7735 -18.5067 -24.7596 60.1997 -14.7734 60.1997 -22.9028 GPRESSAVG: 3906400 -10.497 -17.6472 -13.9584 -17.5284 -24.132 61.2529 -14.874 58.9568 -22.8066 TIMING: 3906400 CPU: 12670, 0.00313443/step Wall: 12670, 0.00313443/step, 0.95217 hours remaining, 235.281250 MB of memory in use. ENERGY: 3906400 4027.2297 20318.6850 14510.3401 242.7504 -203685.6720 2773.3363 0.0000 0.0000 52034.8473 -109778.4832 299.0450 -161813.3304 -109413.8579 298.7819 24.0503 58.5167 761024.9436 -19.2879 -19.1452 PRESSURE: 3906600 -9.19124 -84.2696 24.889 -84.2693 -46.2123 103.613 24.8891 103.613 626.959 GPRESSURE: 3906600 19.6632 -156.355 20.7079 -124.46 67.0501 154.302 50.1825 199.637 588.434 PRESSAVG: 3906600 -15.8989 11.0624 -11.8368 11.0624 9.47093 5.36787 -11.8368 5.36791 2.9541 GPRESSAVG: 3906600 -15.1294 9.60287 -12.8386 9.56964 8.52719 4.88666 -9.54533 5.13471 3.25355 TIMING: 3906600 CPU: 12670.6, 0.00313033/step Wall: 12670.6, 0.00313033/step, 0.950751 hours remaining, 235.281250 MB of memory in use. ENERGY: 3906600 4061.6824 20314.7118 14451.3541 248.3175 -203834.2928 2868.2580 0.0000 0.0000 52000.5355 -109889.4335 298.8478 -161889.9690 -109532.1188 298.5308 190.5185 225.0489 759764.1416 -1.1579 -1.1162 PRESSURE: 3906800 -46.1156 -66.2269 204.532 -66.2267 -144.601 50.3212 204.533 50.3208 160.145 GPRESSURE: 3906800 -40.8571 -52.6846 334.509 -57.3877 -58.9249 80.5436 276.44 20.268 153.207 PRESSAVG: 3906800 18.0019 15.6275 43.6334 15.6276 -16.2994 -11.8551 43.6334 -11.8551 0.989447 GPRESSAVG: 3906800 17.6913 14.4017 44.1717 15.1904 -16.0729 -11.3054 40.6085 -10.0668 0.737596 TIMING: 3906800 CPU: 12671.2, 0.00312284/step Wall: 12671.2, 0.00312284/step, 0.948303 hours remaining, 235.281250 MB of memory in use. ENERGY: 3906800 3968.0808 20430.8840 14387.3777 233.5653 -203755.8929 2528.1995 0.0000 0.0000 52177.2266 -110030.5590 299.8632 -162207.7856 -109664.3989 298.5802 -10.1906 17.8083 761042.8987 0.8973 0.7853 PRESSURE: 3907000 -124.373 73.6871 17.4914 73.6875 77.7023 19.9895 17.4918 19.9879 -108.064 GPRESSURE: 3907000 -82.9549 27.4382 29.2403 30.4486 116.472 -18.7657 -67.1269 -4.9873 -107.301 PRESSAVG: 3907000 -6.1239 45.4871 -31.6533 45.4871 22.9182 -17.8163 -31.6532 -17.8164 -1.16381 GPRESSAVG: 3907000 -6.04534 46.3549 -30.0373 47.3776 23.8318 -18.1798 -30.6589 -17.6203 -1.14086 TIMING: 3907000 CPU: 12671.8, 0.00313253/step Wall: 12671.8, 0.00313253/step, 0.951071 hours remaining, 235.281250 MB of memory in use. ENERGY: 3907000 4008.5758 20403.1804 14412.5769 255.7518 -203300.4573 2363.5487 0.0000 0.0000 52019.6916 -109837.1321 298.9579 -161856.8237 -109467.3353 298.5383 -51.5784 -24.5948 762245.7395 5.2102 5.5485 PRESSURE: 3907200 333.984 169.615 9.55249 169.615 -39.4774 92.7624 9.55261 92.7619 -574.762 GPRESSURE: 3907200 276.812 104.247 -13.4544 189.015 87.3591 97.4192 27.5459 128.983 -570.724 PRESSAVG: 3907200 -24.0624 5.24812 -34.1696 5.24821 21.0387 -22.7929 -34.1696 -22.7929 -12.6524 GPRESSAVG: 3907200 -24.5531 4.94812 -35.7962 5.20234 20.746 -23.371 -35.3279 -22.2026 -12.4817 TIMING: 3907200 CPU: 12672.5, 0.00312926/step Wall: 12672.5, 0.00312926/step, 0.949903 hours remaining, 235.281250 MB of memory in use. ENERGY: 3907200 3999.8761 20408.2053 14364.0810 266.1805 -203706.0281 2827.5046 0.0000 0.0000 52036.4662 -109803.7143 299.0543 -161840.1805 -109443.4271 298.5824 -93.4182 -68.8508 762708.9094 -5.2254 -5.4296 PRESSURE: 3907400 296.523 -184.293 -86.0939 -184.294 -58.9038 24.3474 -86.0949 24.3468 4.34564 GPRESSURE: 3907400 413.561 -176.251 -167.693 -322.275 -65.2016 -21.254 35.53 1.47906 3.27283 PRESSAVG: 3907400 20.9294 -45.9844 -43.9841 -45.9843 -49.9132 -14.0223 -43.984 -14.0223 18.7646 GPRESSAVG: 3907400 21.3925 -44.8909 -43.7136 -47.2904 -49.9524 -15.3666 -43.8028 -13.8693 18.3864 TIMING: 3907400 CPU: 12673.1, 0.00311912/step Wall: 12673.1, 0.00311912/step, 0.946654 hours remaining, 235.281250 MB of memory in use. ENERGY: 3907400 4030.5479 20419.5617 14434.4420 219.5279 -203913.0497 2810.6785 0.0000 0.0000 52106.0440 -109892.2477 299.4542 -161998.2917 -109524.0370 298.5693 80.6548 117.2107 760847.0197 -3.4064 -3.3912 PRESSURE: 3907600 -247.832 18.5339 3.71528 18.534 -301.607 -4.39216 3.71576 -4.39254 -116.547 GPRESSURE: 3907600 -250.623 -108.237 -1.72687 69.8213 -252.862 -25.7477 124.817 -13.3092 -65.7824 PRESSAVG: 3907600 66.5548 9.81462 -73.7361 9.81459 -58.437 65.9348 -73.7362 65.9348 -3.73815 GPRESSAVG: 3907600 66.891 7.13548 -74.2696 9.68806 -58.3906 67.5136 -71.1233 64.1055 -4.53603 TIMING: 3907600 CPU: 12673.7, 0.00314834/step Wall: 12673.7, 0.00314834/step, 0.955346 hours remaining, 235.281250 MB of memory in use. ENERGY: 3907600 3983.7376 20502.3540 14480.7009 238.9274 -203421.0907 2509.7592 0.0000 0.0000 51886.2218 -109819.3899 298.1908 -161705.6117 -109469.9909 298.5593 -221.9954 -189.7557 762224.4676 1.4599 1.3215 PRESSURE: 3907800 -292.067 -143 -61.6205 -143.001 116.884 -133.569 -61.621 -133.569 -262.164 GPRESSURE: 3907800 -373.479 13.874 -35.7685 -150.739 302.635 -134.357 -179.771 -172.856 -285.501 PRESSAVG: 3907800 1.83234 -35.664 -21.4867 -35.664 12.4343 -29.6233 -21.4867 -29.6234 14.9242 GPRESSAVG: 3907800 0.468909 -35.7367 -21.3993 -36.3411 12.8592 -30.4435 -23.2084 -28.3401 15.9322 TIMING: 3907800 CPU: 12674.3, 0.00314886/step Wall: 12674.3, 0.00314886/step, 0.955329 hours remaining, 235.281250 MB of memory in use. ENERGY: 3907800 3966.5135 20416.7404 14292.7888 255.0603 -203123.3489 2423.3419 0.0000 0.0000 52083.2936 -109685.6105 299.3234 -161768.9041 -109323.4789 299.0862 -145.7821 -118.7817 762326.4454 9.7303 9.7534 PRESSURE: 3908000 -58.0093 219.798 117.414 219.798 -31.8319 -1.86209 117.413 -1.86134 -58.9658 GPRESSURE: 3908000 7.69229 183.803 111.888 224.549 -14.2461 23.5891 138.138 48.0541 -60.043 PRESSAVG: 3908000 35.6027 -59.9199 -20.9668 -59.92 -45.7134 -44.2984 -20.9668 -44.2983 -10.1977 GPRESSAVG: 3908000 35.5539 -58.5359 -20.1765 -58.058 -45.3555 -42.3675 -23.452 -45.0429 -10.0376 TIMING: 3908000 CPU: 12675, 0.00313506/step Wall: 12675, 0.00313505/step, 0.950967 hours remaining, 235.281250 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: 3908000 3946.7015 20502.6726 14464.0953 240.6410 -203622.9384 2624.3375 0.0000 0.0000 52046.9545 -109797.5360 299.1146 -161844.4906 -109432.3207 298.9934 -49.6023 -22.1989 760155.4403 -6.7695 -6.6131 PRESSURE: 3908200 -139.295 -14.9125 -95.7293 -14.9121 50.7604 -155.849 -95.7284 -155.85 -85.1474 GPRESSURE: 3908200 -39.4644 -103.945 -20.1244 2.35022 67.0247 -151.582 -148.712 -148.61 -120.393 PRESSAVG: 3908200 -28.4996 0.0581897 6.99467 0.05821 41.5128 -14.0124 6.99467 -14.0125 -6.80072 GPRESSAVG: 3908200 -26.5226 1.02739 6.86785 -1.16109 39.5155 -14.1714 8.84793 -15.5109 -6.76574 TIMING: 3908200 CPU: 12675.6, 0.0031236/step Wall: 12675.6, 0.0031236/step, 0.94732 hours remaining, 235.281250 MB of memory in use. ENERGY: 3908200 4059.3087 20405.9231 14428.3951 267.4983 -203781.1662 2835.6064 0.0000 0.0000 51956.7321 -109827.7026 298.5961 -161784.4347 -109474.5224 298.7364 -57.8939 -30.9444 759740.5600 2.0708 2.0757 LDB: ============= START OF LOAD BALANCING ============== 12688 LDB: ============== END OF LOAD BALANCING =============== 12688 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12688 LDB: ============= START OF LOAD BALANCING ============== 12688.3 LDB: Largest compute 7036 load 0.031746 is 16.2% of average load 0.195543 LDB: Average compute 0.004403 is 2.3% of average load 0.195543 LDB: TIME 12688.3 LOAD: AVG 0.195543 MAX 0.214478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 12688.3 LOAD: AVG 0.195543 MAX 0.214478 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 12688.3 LOAD: AVG 0.195543 MAX 0.214478 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 12688.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12688.3 PRESSURE: 3908400 -155.243 -359.815 -79.9491 -359.816 47.2559 134.715 -79.949 134.715 -278.181 GPRESSURE: 3908400 -121.564 -232.42 -84.5174 -314.102 45.3473 92.5619 -67.8946 28.3022 -228.732 PRESSAVG: 3908400 -8.62987 5.13998 -7.38511 5.14003 16.3308 33.2293 -7.38508 33.2293 0.660624 GPRESSAVG: 3908400 -10.1824 6.94066 -8.84131 4.76109 16.874 32.0213 -7.62434 34.3782 1.75503 TIMING: 3908400 CPU: 12676.2, 0.00319606/step Wall: 12676.2, 0.00319606/step, 0.969117 hours remaining, 234.945312 MB of memory in use. ENERGY: 3908400 3970.1312 20533.3698 14336.1534 234.7472 -203236.6520 2460.8054 0.0000 0.0000 51917.3456 -109784.0994 298.3697 -161701.4450 -109420.7446 298.7766 -128.7228 -101.6495 761404.8193 2.7872 2.8156 PRESSURE: 3908600 98.6323 -109.342 -225.888 -109.343 75.2086 78.4873 -225.888 78.4868 398.075 GPRESSURE: 3908600 134.068 -226.085 -285.89 30.1291 97.3897 96.1343 -110.032 26.715 397.135 PRESSAVG: 3908600 11.8956 0.208179 -4.06134 0.208274 -23.8457 -30.2614 -4.06131 -30.2613 17.9055 GPRESSAVG: 3908600 12.6628 -2.65074 -3.53627 2.06811 -23.8606 -30.597 -1.5226 -29.1797 16.9078 TIMING: 3908600 CPU: 12676.9, 0.0031557/step Wall: 12676.9, 0.0031557/step, 0.956703 hours remaining, 234.945312 MB of memory in use. ENERGY: 3908600 3921.0181 20511.3047 14430.8950 255.6458 -203119.6694 2394.0304 0.0000 0.0000 51959.0283 -109647.7472 298.6092 -161606.7754 -109284.6701 298.7793 190.6386 209.5312 759351.9795 1.9851 1.9033 PRESSURE: 3908800 -150.92 104.783 14.3022 104.782 -163.547 -170.436 14.3027 -170.436 -409.911 GPRESSURE: 3908800 -185.806 65.2527 50.4367 7.31604 -112.925 -220.728 -18.319 44.7327 -327.512 PRESSAVG: 3908800 31.7137 6.82802 -18.3931 6.82805 -41.0672 32.6007 -18.3931 32.6007 -2.69878 GPRESSAVG: 3908800 30.381 7.98163 -16.6783 3.75181 -40.8356 32.1344 -21.6443 34.3333 -2.10615 TIMING: 3908800 CPU: 12677.5, 0.00313588/step Wall: 12677.5, 0.00313588/step, 0.95052 hours remaining, 235.015625 MB of memory in use. ENERGY: 3908800 3892.5271 20598.3789 14382.2190 240.3060 -203613.8489 2434.4245 0.0000 0.0000 52073.7583 -109992.2351 299.2686 -162065.9933 -109634.1498 298.6205 -241.4595 -208.7478 760080.7158 -4.0174 -4.1869 PRESSURE: 3909000 369.567 185.256 78.6631 185.257 -360.668 -180.663 78.6635 -180.664 -269.655 GPRESSURE: 3909000 347.391 264.371 110.013 81.1726 -243.689 -135.672 -25.266 -315.381 -248.116 PRESSAVG: 3909000 16.2237 59.575 -61.9165 59.575 -46.7989 39.9197 -61.9166 39.9198 4.70621 GPRESSAVG: 3909000 16.0347 58.7547 -62.872 61.5159 -46.4989 40.7968 -61.7569 35.3501 4.48817 TIMING: 3909000 CPU: 12678.1, 0.00312004/step Wall: 12678.1, 0.00312004/step, 0.945546 hours remaining, 235.085938 MB of memory in use. ENERGY: 3909000 4001.2371 20493.9661 14360.6930 237.1165 -203561.2561 2605.1848 0.0000 0.0000 51859.3915 -110003.6672 298.0366 -161863.0587 -109643.0770 298.7013 -86.9190 -48.1381 760940.7640 -8.6230 -8.6587 PRESSURE: 3909200 134.942 -62.8638 25.7268 -62.8635 176.217 34.5352 25.7263 34.5349 -496.822 GPRESSURE: 3909200 198.222 43.3267 111.598 -219.192 174.123 -37.424 -51.054 38.8023 -475.649 PRESSAVG: 3909200 20.429 -2.832 2.08299 -2.83199 -8.85483 -9.82406 2.08303 -9.82403 21.709 GPRESSAVG: 3909200 21.9567 -3.34607 0.56933 -3.20924 -9.94926 -10.9388 3.25723 -7.60369 20.9448 TIMING: 3909200 CPU: 12678.7, 0.00312196/step Wall: 12678.7, 0.00312196/step, 0.945953 hours remaining, 235.085938 MB of memory in use. ENERGY: 3909200 3948.3176 20455.0722 14387.4111 248.7055 -203666.3465 2781.4309 0.0000 0.0000 51866.0466 -109979.3626 298.0749 -161845.4092 -109618.4093 298.1617 -61.8880 -34.4346 762650.1079 11.0944 10.9841 PRESSURE: 3909400 -307.582 32.7087 -228.337 32.7086 -97.9649 -176.194 -228.337 -176.193 -382.432 GPRESSURE: 3909400 -281.579 -83.9699 -189.737 74.0394 -130.673 -236.8 -136.735 -155.98 -296.381 PRESSAVG: 3909400 32.1 -2.33572 -14.6843 -2.3357 -48.5743 -5.22314 -14.6844 -5.22315 3.86024 GPRESSAVG: 3909400 32.3217 -0.646328 -12.9206 -3.16902 -49.8432 -4.18472 -14.0854 -7.10232 4.32341 TIMING: 3909400 CPU: 12679.4, 0.003132/step Wall: 12679.4, 0.003132/step, 0.948822 hours remaining, 235.085938 MB of memory in use. ENERGY: 3909400 3993.5950 20545.6383 14358.3197 242.4926 -203426.1222 2521.1255 0.0000 0.0000 51775.6018 -109989.3493 297.5551 -161764.9511 -109633.2735 297.8838 -262.6597 -236.2110 760770.0281 -4.2047 -4.3994 PRESSURE: 3909600 29.1205 218.832 113.745 218.831 -115.795 -112.746 113.745 -112.746 47.1031 GPRESSURE: 3909600 116.105 274.863 82.1755 137.314 -63.8894 -139.869 52.9374 -195.817 -12.2356 PRESSAVG: 3909600 53.0595 66.2801 -60.178 66.2802 -20.1723 27.3765 -60.178 27.3765 3.72795 GPRESSAVG: 3909600 52.1438 67.0377 -60.6527 65.706 -18.8265 27.9317 -61.302 28.2717 3.0644 TIMING: 3909600 CPU: 12680, 0.00313374/step Wall: 12680, 0.00313374/step, 0.949175 hours remaining, 235.085938 MB of memory in use. ENERGY: 3909600 3932.6164 20434.0845 14417.3475 258.2163 -203661.2502 2791.4997 0.0000 0.0000 51893.6657 -109933.8203 298.2336 -161827.4859 -109579.8777 298.1642 -13.1906 13.3268 760072.5682 12.2051 12.1272 PRESSURE: 3909800 -233.135 -58.7269 125.94 -58.7265 -374.213 184.965 125.94 184.965 -508.143 GPRESSURE: 3909800 -177.883 -161.152 171.4 -87.257 -394.173 128.135 79.1251 312.272 -450.472 PRESSAVG: 3909800 6.41528 -35.0634 9.55838 -35.0634 -21.2548 12.3374 9.5584 12.3374 -10.4196 GPRESSAVG: 3909800 6.02956 -36.0829 8.74613 -31.6385 -20.8569 12.1338 12.1913 11.8043 -10.4204 TIMING: 3909800 CPU: 12680.6, 0.00311864/step Wall: 12680.6, 0.00311864/step, 0.944428 hours remaining, 235.085938 MB of memory in use. ENERGY: 3909800 4054.2477 20558.9957 14474.9216 260.9094 -203317.6039 2305.6889 0.0000 0.0000 51817.5985 -109845.2421 297.7965 -161662.8406 -109474.1150 298.3479 -371.8301 -340.8427 760467.6016 -8.4197 -8.4159 PRESSURE: 3910000 162.926 128.043 -227.529 128.043 -57.5196 160.382 -227.529 160.382 27.4516 GPRESSURE: 3910000 85.577 -4.30225 -245.364 40.6419 132.388 36.7624 -274.703 261.347 8.94437 PRESSAVG: 3910000 29.6957 -34.5697 -35.9413 -34.5698 -36.7505 21.8954 -35.9413 21.8954 -6.71351 GPRESSAVG: 3910000 29.0023 -34.9483 -36.4846 -36.4009 -36.707 20.628 -37.5385 22.0908 -5.31602 TIMING: 3910000 CPU: 12681.2, 0.00312988/step Wall: 12681.2, 0.00312988/step, 0.947657 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3910000 4016.0435 20530.2692 14443.8004 238.4086 -203281.1173 2419.7426 0.0000 0.0000 51937.3934 -109695.4597 298.4849 -161632.8531 -109328.4858 298.5530 44.2860 75.6366 760181.3317 -4.5894 -4.3402 PRESSURE: 3910200 14.7701 -85.3878 72.8727 -85.3876 -14.9714 116.461 72.8734 116.462 89.298 GPRESSURE: 3910200 131.121 -87.8977 62.2819 -69.6217 -41.8179 77.1443 101.274 108.683 80.1749 PRESSAVG: 3910200 56.3354 -22.995 -49.3483 -22.9949 -51.5921 18.8974 -49.3483 18.8974 -4.72719 GPRESSAVG: 3910200 56.4344 -23.8911 -46.9997 -22.9 -51.2976 19.1048 -51.3514 20.0634 -5.16838 TIMING: 3910200 CPU: 12681.9, 0.00313053/step Wall: 12681.9, 0.00313053/step, 0.947681 hours remaining, 235.085938 MB of memory in use. ENERGY: 3910200 3993.0652 20498.7738 14459.3418 238.8609 -203877.6832 2877.8119 0.0000 0.0000 51957.2391 -109852.5905 298.5990 -161809.8296 -109491.2561 298.8140 29.6989 56.4928 759780.8218 0.0054 -0.0105 PRESSURE: 3910400 229.774 150.239 11.6306 150.238 25.288 107.955 11.6306 107.955 -340.689 GPRESSURE: 3910400 204.095 87.3095 51.3482 99.9668 43.5388 50.3898 54.4134 148.401 -258.542 PRESSAVG: 3910400 8.0545 4.62388 19.2532 4.62384 -17.2782 10.6729 19.2532 10.6729 28.1113 GPRESSAVG: 3910400 9.81401 4.85753 19.1263 3.3402 -18.7136 10.125 20.9362 9.38727 27.7095 TIMING: 3910400 CPU: 12682.5, 0.00312854/step Wall: 12682.5, 0.00312854/step, 0.946905 hours remaining, 235.085938 MB of memory in use. ENERGY: 3910400 4002.4550 20528.2298 14495.3905 252.9359 -203477.5100 2592.8376 0.0000 0.0000 51861.5516 -109744.1097 298.0490 -161605.6613 -109380.9379 298.8481 -28.5423 -3.6361 762470.6293 6.2959 6.2700 PRESSURE: 3910600 114.337 0.437623 -7.01517 0.437678 73.6977 31.6779 -7.01514 31.6785 -52.2838 GPRESSURE: 3910600 212.995 -52.3545 -43.4255 9.33981 39.9491 18.8295 54.7107 14.4603 -22.4434 PRESSAVG: 3910600 28.4688 -19.7371 33.0202 -19.7371 -54.1347 47.3286 33.0202 47.3287 -0.218892 GPRESSAVG: 3910600 28.5262 -20.3381 32.8897 -20.0986 -53.6682 46.2758 32.033 49.2296 -0.258672 TIMING: 3910600 CPU: 12683.1, 0.00313008/step Wall: 12683.1, 0.00313008/step, 0.947196 hours remaining, 235.085938 MB of memory in use. ENERGY: 3910600 3992.6747 20367.8711 14328.4721 245.0951 -203178.7374 2415.3499 0.0000 0.0000 51867.9970 -109961.2775 298.0861 -161829.2746 -109594.5909 298.8095 45.2503 76.8335 759641.9092 -8.6283 -8.4669 PRESSURE: 3910800 97.6897 65.6615 -114.085 65.6603 128.06 166.203 -114.085 166.204 354.425 GPRESSURE: 3910800 171.869 26.7538 -235.974 60.1311 163.408 126.33 -101.234 140.15 324.875 PRESSAVG: 3910800 46.6009 -32.9658 -18.8716 -32.9657 -66.0127 -11.7732 -18.8716 -11.7731 -8.04942 GPRESSAVG: 3910800 45.6219 -33.0631 -19.6789 -32.2889 -65.4277 -11.2583 -18.0859 -13.0847 -8.08099 TIMING: 3910800 CPU: 12683.7, 0.00312807/step Wall: 12683.7, 0.00312807/step, 0.946415 hours remaining, 235.085938 MB of memory in use. ENERGY: 3910800 3945.6101 20430.5567 14372.2348 250.1913 -203726.4452 2718.9445 0.0000 0.0000 52069.4656 -109939.4422 299.2439 -162008.9078 -109573.0691 298.5645 193.3916 220.0506 761753.3331 -9.1537 -9.2956 PRESSURE: 3911000 -264.39 -113.476 -169.124 -113.477 -102.224 196.475 -169.124 196.475 -297.484 GPRESSURE: 3911000 -273.04 -27.2846 -223.96 -163.035 -61.6569 232.498 -89.2701 105.813 -265.144 PRESSAVG: 3911000 4.13754 -58.7157 20.0834 -58.7157 -26.3856 -21.6047 20.0833 -21.6047 9.98851 GPRESSAVG: 3911000 2.87553 -57.9284 19.2811 -58.364 -26.3636 -22.2196 19.7881 -21.8348 10.5996 TIMING: 3911000 CPU: 12684.4, 0.00313765/step Wall: 12684.4, 0.00313765/step, 0.949138 hours remaining, 235.140625 MB of memory in use. ENERGY: 3911000 3958.3590 20658.3072 14510.3108 246.2757 -203611.4315 2443.1401 0.0000 0.0000 51987.7826 -109807.2562 298.7745 -161795.0388 -109447.8419 298.8088 -221.3658 -199.9469 761601.2083 -4.0865 -4.2962 PRESSURE: 3911200 86.4768 91.1508 -174.144 91.1511 -266.988 114.741 -174.144 114.742 -27.5707 GPRESSURE: 3911200 191.998 20.2465 -134.794 43.8351 -238.974 99.1482 -29.6276 63.4272 -86.383 PRESSAVG: 3911200 48.2857 -38.1703 29.0198 -38.1703 -66.0495 38.4234 29.0198 38.4234 1.18338 GPRESSAVG: 3911200 50.2441 -40.1874 31.0526 -35.0714 -66.8011 38.9265 28.2623 38.0078 -0.240999 TIMING: 3911200 CPU: 12685, 0.00311316/step Wall: 12685, 0.00311316/step, 0.941557 hours remaining, 235.140625 MB of memory in use. ENERGY: 3911200 3932.2856 20699.1801 14488.1203 242.8907 -203821.3469 2427.3218 0.0000 0.0000 52122.1493 -109909.3991 299.5467 -162031.5484 -109540.7342 298.7333 -69.3608 -44.4529 761748.1102 -5.5268 -5.5993 PRESSURE: 3911400 -71.2397 -132.082 174.554 -132.082 -169.585 -244.874 174.554 -244.873 -96.6498 GPRESSURE: 3911400 23.1118 -71.1579 149.389 -158.857 -159.85 -215.236 128.865 -154.259 -90.5643 PRESSAVG: 3911400 80.4183 -25.8972 20.507 -25.8972 -66.122 -55.8582 20.507 -55.8582 6.17286 GPRESSAVG: 3911400 79.9181 -24.6462 20.9367 -30.0382 -67.5266 -54.1371 20.4193 -54.3413 7.45083 TIMING: 3911400 CPU: 12685.6, 0.00311847/step Wall: 12685.6, 0.00311847/step, 0.94299 hours remaining, 235.140625 MB of memory in use. ENERGY: 3911400 4043.7160 20577.0141 14428.1141 230.8833 -203864.1040 2690.7488 0.0000 0.0000 52315.5555 -109578.0723 300.6582 -161893.6278 -109208.5471 298.8956 -112.4917 -75.7674 760368.8395 6.8230 6.6141 PRESSURE: 3911600 -167.871 -110.997 -148.12 -110.997 -439.544 71.991 -148.12 71.9902 -275.073 GPRESSURE: 3911600 -156.793 -50.5053 -175.344 -106.406 -363.302 29.4962 -20.1253 -9.86971 -287.495 PRESSAVG: 3911600 -5.68544 -33.4345 -48.9655 -33.4345 -1.14653 -8.98781 -48.9655 -8.98777 11.62 GPRESSAVG: 3911600 -6.01527 -34.7284 -50.934 -31.1925 0.454393 -10.1046 -46.5374 -8.45138 9.79596 TIMING: 3911600 CPU: 12686.2, 0.00313339/step Wall: 12686.2, 0.00313339/step, 0.947327 hours remaining, 235.140625 MB of memory in use. ENERGY: 3911600 4052.2508 20522.6851 14418.5259 251.9865 -203673.8243 2526.5126 0.0000 0.0000 52234.2235 -109667.6398 300.1908 -161901.8634 -109303.9370 299.4795 -294.1626 -269.1966 762389.3748 1.5960 1.4117 PRESSURE: 3911800 -56.2076 29.5711 4.54795 29.5709 22.5753 194.26 4.54775 194.26 -83.6642 GPRESSURE: 3911800 -1.85794 -12.7838 146.003 135.744 137.007 182.687 -112.333 111.735 -144.405 PRESSAVG: 3911800 -29.8172 -34.9111 24.1611 -34.9111 4.00947 -29.6471 24.1611 -29.6471 35.0065 GPRESSAVG: 3911800 -29.588 -31.0684 24.9363 -36.5987 4.26204 -29.6948 23.4973 -31.4609 34.8792 TIMING: 3911800 CPU: 12686.9, 0.00312614/step Wall: 12686.9, 0.00312614/step, 0.944963 hours remaining, 235.140625 MB of memory in use. ENERGY: 3911800 4043.0679 20632.4787 14302.7712 272.2810 -203662.5059 2810.1700 0.0000 0.0000 51993.1301 -109608.6070 298.8052 -161601.7371 -109253.9640 299.1854 -39.0988 -3.0853 762032.2024 3.0663 3.1844 PRESSURE: 3912000 -139.658 50.6987 -180.821 50.6983 207.285 -160.243 -180.821 -160.242 179.139 GPRESSURE: 3912000 -101.253 -32.3251 -158.865 39.0245 193.061 -70.0972 -132.363 -141.559 244.394 PRESSAVG: 3912000 -3.12936 -42.0398 -12.6499 -42.0398 9.45219 -33.684 -12.65 -33.684 0.192832 GPRESSAVG: 3912000 -3.83438 -46.2387 -11.9136 -42.8916 7.66249 -31.6329 -13.2594 -33.1649 2.96062 TIMING: 3912000 CPU: 12687.5, 0.0031364/step Wall: 12687.5, 0.0031364/step, 0.94789 hours remaining, 235.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3912000 3966.0431 20685.9474 14431.1680 249.0183 -203264.0047 2543.8878 0.0000 0.0000 51897.1806 -109490.7596 298.2538 -161387.9402 -109124.4392 298.9316 82.2552 112.0672 760538.8506 2.1719 2.2629 PRESSURE: 3912200 9.31685 -44.5757 234.26 -44.5754 -17.8013 -129.331 234.259 -129.33 185.67 GPRESSURE: 3912200 118.706 -105.731 292.816 -56.7831 6.87798 -171.223 130.495 -226.866 124.605 PRESSAVG: 3912200 18.3028 -42.5504 -11.7291 -42.5505 -13.9221 -28.5131 -11.7291 -28.513 1.23267 GPRESSAVG: 3912200 19.2991 -41.2396 -14.1125 -41.2695 -13.5623 -30.6285 -9.66682 -28.7646 -0.347535 TIMING: 3912200 CPU: 12688.1, 0.00313437/step Wall: 12688.1, 0.00313437/step, 0.947103 hours remaining, 235.140625 MB of memory in use. ENERGY: 3912200 3925.4936 20518.4101 14436.6136 261.4993 -203054.8480 2511.4773 0.0000 0.0000 52030.0118 -109371.3421 299.0172 -161401.3539 -108999.4953 299.4281 59.0618 83.3964 763468.5612 1.8711 1.7964 LDB: ============= START OF LOAD BALANCING ============== 12700.5 LDB: ============== END OF LOAD BALANCING =============== 12700.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12700.6 LDB: ============= START OF LOAD BALANCING ============== 12700.9 LDB: Largest compute 7033 load 0.031033 is 15.9% of average load 0.195528 LDB: Average compute 0.004401 is 2.3% of average load 0.195528 LDB: TIME 12700.9 LOAD: AVG 0.195528 MAX 0.213692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.426 MB LDB: TIME 12700.9 LOAD: AVG 0.195528 MAX 0.213692 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 12700.9 LOAD: AVG 0.195528 MAX 0.213692 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 12700.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12700.9 PRESSURE: 3912400 200.084 99.28 -24.7485 99.2792 45.4781 216.451 -24.748 216.45 117.859 GPRESSURE: 3912400 199.569 36.9021 -10.4629 39.3163 72.6094 225.441 62.1184 295.319 160.879 PRESSAVG: 3912400 27.7437 -11.2084 -50.1901 -11.2084 -3.20497 -2.75429 -50.1901 -2.75418 12.1361 GPRESSAVG: 3912400 26.9984 -9.32825 -48.9578 -12.8525 -3.47761 -0.724683 -50.23 -1.35584 12.9714 TIMING: 3912400 CPU: 12688.8, 0.00320684/step Wall: 12688.8, 0.00320684/step, 0.968821 hours remaining, 233.402344 MB of memory in use. ENERGY: 3912400 4043.3387 20664.9125 14458.6655 236.4386 -203660.9091 2479.6193 0.0000 0.0000 52303.8367 -109474.0978 300.5909 -161777.9345 -109106.7037 298.8234 121.1403 144.3525 761696.8998 12.2249 12.1641 PRESSURE: 3912600 -113.566 -122.924 -75.7942 -122.924 248.351 -173.644 -75.7941 -173.646 -134.831 GPRESSURE: 3912600 -74.0811 -127.778 -56.2429 -139.136 202.644 -183.073 -136.808 -127.423 -46.6892 PRESSAVG: 3912600 2.82594 -6.96727 -48.8786 -6.96722 -14.9744 -9.70133 -48.8786 -9.70129 0.163383 GPRESSAVG: 3912600 3.28121 -8.43414 -47.2862 -7.21934 -14.4759 -11.0714 -50.6526 -9.21701 -1.02492 TIMING: 3912600 CPU: 12689.4, 0.00312093/step Wall: 12689.4, 0.00312093/step, 0.942693 hours remaining, 233.402344 MB of memory in use. ENERGY: 3912600 4039.5293 20602.6536 14511.0839 235.9608 -203703.8407 2889.2391 0.0000 0.0000 52036.3035 -109389.0705 299.0534 -161425.3741 -109035.9421 298.9664 -0.0153 27.2912 761438.4633 -3.9950 -4.0732 PRESSURE: 3912800 287.534 -70.9436 22.2952 -70.9435 364.128 -278.112 22.2952 -278.111 118.369 GPRESSURE: 3912800 315.35 -165.304 134.153 -22.1296 323.62 -281.502 -157.565 -301.421 218.009 PRESSAVG: 3912800 28.7383 -53.7429 -22.6764 -53.7429 -53.1962 2.30773 -22.6764 2.30767 7.31346 GPRESSAVG: 3912800 28.888 -54.3032 -23.7651 -50.678 -52.6355 3.16057 -22.2846 1.54524 6.56679 TIMING: 3912800 CPU: 12690, 0.0031123/step Wall: 12690, 0.0031123/step, 0.939915 hours remaining, 233.402344 MB of memory in use. ENERGY: 3912800 3939.8873 20620.2651 14489.0744 228.4653 -203662.8042 2918.9746 0.0000 0.0000 51972.9123 -109493.2252 298.6890 -161466.1375 -109137.6770 299.4785 256.6770 285.6596 761282.3174 -5.7148 -5.7269 PRESSURE: 3913000 68.03 23.0486 124.067 23.0488 66.8638 58.5323 124.068 58.5323 -123.839 GPRESSURE: 3913000 81.3829 10.6806 62.5628 219.918 164.209 63.9021 -175.52 22.2609 -151.383 PRESSAVG: 3913000 19.0229 -14.3255 -28.5042 -14.3256 -9.99944 -38.5739 -28.5042 -38.5739 7.25255 GPRESSAVG: 3913000 18.747 -13.6643 -28.6606 -16.878 -10.6913 -38.4256 -29.9153 -36.9485 7.75744 TIMING: 3913000 CPU: 12690.6, 0.003126/step Wall: 12690.6, 0.003126/step, 0.943878 hours remaining, 233.402344 MB of memory in use. ENERGY: 3913000 4030.1133 20438.1478 14510.5045 270.7553 -203422.5134 2678.2542 0.0000 0.0000 51781.5682 -109713.1702 297.5894 -161494.7384 -109356.4973 298.3951 3.6848 31.4030 760180.9852 5.4254 5.2711 PRESSURE: 3913200 -146.893 147.58 -76.6207 147.579 -186.184 -73.9349 -76.62 -73.9357 -182.697 GPRESSURE: 3913200 -97.17 105.598 -138.304 -7.08805 -150.929 -152.568 -68.3076 -200.955 -173.544 PRESSAVG: 3913200 70.8585 -7.23609 -29.479 -7.23608 -0.166297 6.17215 -29.479 6.17221 18.2568 GPRESSAVG: 3913200 69.5205 -7.14751 -28.8101 -5.41737 0.642834 4.51079 -27.3377 3.6974 18.8664 TIMING: 3913200 CPU: 12691.3, 0.00312304/step Wall: 12691.3, 0.00312304/step, 0.942811 hours remaining, 233.402344 MB of memory in use. ENERGY: 3913200 3987.7266 20461.7645 14497.6619 232.6726 -203438.6561 2471.8639 0.0000 0.0000 52106.1455 -109680.8211 299.4547 -161786.9666 -109322.6347 298.5084 -171.9248 -140.5477 760387.5051 29.6497 29.6766 PRESSURE: 3913400 -111.897 -82.1616 125.601 -82.16 14.4657 -1.10531 125.601 -1.10416 -476.76 GPRESSURE: 3913400 -157.024 -61.0656 163.027 -30.1834 74.7087 -79.1498 203.674 28.191 -420.259 PRESSAVG: 3913400 -2.27795 -78.3363 -91.362 -78.3363 28.1067 31.5497 -91.3621 31.5497 -6.18739 GPRESSAVG: 3913400 -1.4076 -79.0449 -91.6618 -79.1364 28.4772 31.3442 -92.2637 32.3613 -7.24476 TIMING: 3913400 CPU: 12691.9, 0.00314776/step Wall: 12691.9, 0.00314776/step, 0.9501 hours remaining, 233.402344 MB of memory in use. ENERGY: 3913400 4005.8254 20510.0815 14465.5598 240.8093 -203310.1417 2455.5872 0.0000 0.0000 51980.6175 -109651.6610 298.7333 -161632.2785 -109291.4028 298.9746 -191.3971 -167.5249 762190.9975 6.5471 6.6083 PRESSURE: 3913600 -106.063 173.471 -36.8752 173.47 -147.614 36.6709 -36.8755 36.669 -153.18 GPRESSURE: 3913600 -47.2835 127.604 -35.8223 193.546 -164.497 94.6199 -45.1237 91.4276 -110.534 PRESSAVG: 3913600 1.64622 -38.7121 -44.9083 -38.7122 33.2033 -27.7908 -44.9082 -27.7908 1.91924 GPRESSAVG: 3913600 1.8786 -35.3562 -45.5245 -38.5561 31.5261 -27.6815 -45.091 -27.7063 2.81462 TIMING: 3913600 CPU: 12692.5, 0.00313047/step Wall: 12692.5, 0.00313047/step, 0.944707 hours remaining, 233.402344 MB of memory in use. ENERGY: 3913600 4015.8881 20526.1679 14492.1353 267.5322 -203385.5396 2482.4140 0.0000 0.0000 51834.9287 -109766.4734 297.8960 -161601.4021 -109403.5919 298.7136 -135.6188 -107.4383 760501.0772 12.2563 12.0731 PRESSURE: 3913800 -273.341 -207.969 20.5234 -207.97 -416.82 -96.3257 20.5227 -96.3261 -86.453 GPRESSURE: 3913800 -165.604 -210.86 -13.6089 -93.6928 -381.612 -145.721 -21.0848 -98.5429 -134.337 PRESSAVG: 3913800 78.8254 -27.0448 -13.8369 -27.0448 -65.1339 -26.7291 -13.837 -26.7291 2.68582 GPRESSAVG: 3913800 79.9057 -28.2698 -12.8831 -23.7714 -65.6006 -26.9846 -12.5536 -28.1064 2.28001 TIMING: 3913800 CPU: 12693.1, 0.00313122/step Wall: 12693.1, 0.00313122/step, 0.944758 hours remaining, 233.402344 MB of memory in use. ENERGY: 3913800 3972.1164 20466.1367 14368.7477 237.2450 -203110.4831 2217.2070 0.0000 0.0000 52196.4125 -109652.6179 299.9735 -161849.0304 -109287.5588 298.7387 -258.8712 -227.1843 761890.2569 5.4591 5.5284 PRESSURE: 3914000 13.1744 112.053 -105.043 112.053 215.282 -53.2028 -105.043 -53.2032 -74.5527 GPRESSURE: 3914000 40.6781 161.282 -118.843 19.4909 185.491 -122.33 41.471 37.0739 9.95302 PRESSAVG: 3914000 -0.00892347 0.0592771 -24.5627 0.059286 10.1548 24.9398 -24.5627 24.9397 18.9703 GPRESSAVG: 3914000 -0.50327 -2.15326 -24.582 -2.37685 10.3746 25.7888 -25.3925 26.1344 19.1115 TIMING: 3914000 CPU: 12693.8, 0.00313026/step Wall: 12693.8, 0.00313026/step, 0.944294 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 3912.0174 20624.9107 14422.3316 233.4323 -203625.2859 2677.3183 0.0000 0.0000 52028.6710 -109726.6047 299.0095 -161755.2757 -109366.8958 298.4340 51.3011 78.7075 762087.6372 9.7054 9.6610 PRESSURE: 3914200 -375.716 -55.5561 -183.079 -55.5565 21.2666 26.3238 -183.08 26.3248 -335.476 GPRESSURE: 3914200 -281.177 -32.6421 -119.174 -1.69009 -7.72428 33.6416 -218.652 -9.79466 -322.661 PRESSAVG: 3914200 36.5551 4.82167 -40.9053 4.8217 -34.2504 -29.4631 -40.9053 -29.4631 -6.62289 GPRESSAVG: 3914200 36.1935 5.31672 -39.864 3.5451 -33.9965 -30.7291 -39.8251 -27.898 -6.18567 TIMING: 3914200 CPU: 12694.4, 0.0031244/step Wall: 12694.4, 0.0031244/step, 0.942355 hours remaining, 233.402344 MB of memory in use. ENERGY: 3914200 3926.0288 20686.9520 14390.8230 252.8454 -203450.9701 2349.9820 0.0000 0.0000 51914.4338 -109929.9050 298.3530 -161844.3388 -109568.4312 298.5366 -229.9750 -203.8539 761881.6381 -1.4394 -1.3296 PRESSURE: 3914400 -86.4197 15.7199 -41.6463 15.7196 -200.49 354.007 -41.6459 354.007 -108.742 GPRESSURE: 3914400 -63.1681 101.679 -14.3746 -12.9626 -204.395 391.306 33.763 292.933 -29.9109 PRESSAVG: 3914400 -40.6617 -9.54688 -29.6343 -9.5469 -19.2451 2.19695 -29.6344 2.19699 27.2783 GPRESSAVG: 3914400 -41.7944 -11.3215 -31.1353 -6.4497 -17.3836 5.07557 -30.0927 1.21642 26.7356 TIMING: 3914400 CPU: 12695, 0.003116/step Wall: 12695, 0.003116/step, 0.939647 hours remaining, 233.402344 MB of memory in use. ENERGY: 3914400 3961.0764 20596.0108 14378.9618 236.0814 -203407.3870 2552.6187 0.0000 0.0000 51884.3268 -109798.3111 298.1799 -161682.6379 -109432.2692 298.8040 -131.8838 -99.1581 762077.7552 -10.8762 -10.8141 PRESSURE: 3914600 -82.4441 -290.295 28.9146 -290.296 -30.5 177.226 28.9138 177.227 -18.0754 GPRESSURE: 3914600 -80.7625 -327.359 104.303 -250.973 33.6685 146.572 16.1002 213.055 -0.539181 PRESSAVG: 3914600 22.7793 -30.8566 -24.0606 -30.8565 -0.686247 34.4378 -24.0605 34.4377 -23.9653 GPRESSAVG: 3914600 23.5181 -30.5959 -23.6693 -33.0375 -1.94726 32.9866 -27.1284 34.9356 -24.03 TIMING: 3914600 CPU: 12695.6, 0.00312243/step Wall: 12695.6, 0.00312243/step, 0.941413 hours remaining, 233.402344 MB of memory in use. ENERGY: 3914600 4014.4987 20269.9414 14437.9146 265.1876 -203554.9863 2616.7277 0.0000 0.0000 52098.0094 -109852.7068 299.4080 -161950.7163 -109493.2974 298.2478 -43.6732 -15.8777 760345.2369 -0.6241 -0.8197 PRESSURE: 3914800 -48.9374 -91.2395 -141.168 -91.2395 123.064 -192.168 -141.168 -192.168 746.581 GPRESSURE: 3914800 33.6145 16.779 -156.225 -0.540647 154.214 -212.024 -137.684 -201.272 725.669 PRESSAVG: 3914800 30.8631 -33.5994 -11.2423 -33.5994 -51.7021 60.8712 -11.2423 60.8712 -5.76142 GPRESSAVG: 3914800 31.7345 -31.1175 -12.5323 -33.349 -51.7741 60.5306 -6.7706 60.8968 -6.18997 TIMING: 3914800 CPU: 12696.3, 0.0031057/step Wall: 12696.3, 0.0031057/step, 0.936197 hours remaining, 233.402344 MB of memory in use. ENERGY: 3914800 3935.9560 20451.1041 14441.1799 216.8273 -203541.6350 2761.3566 0.0000 0.0000 51876.2976 -109858.9135 298.1338 -161735.2111 -109507.6970 298.2317 273.5693 304.4991 759892.2098 -8.8668 -8.7432 PRESSURE: 3915000 209.468 31.5831 11.8461 31.5827 -3.72759 150.682 11.8455 150.684 38.9859 GPRESSURE: 3915000 221.802 -38.6796 98.2847 108.367 13.6622 148.943 25.6418 75.1233 89.8804 PRESSAVG: 3915000 15.8674 -36.3748 14.8199 -36.3748 10.8274 -19.2787 14.8199 -19.2788 2.60328 GPRESSAVG: 3915000 14.5823 -38.013 16.3079 -36.4313 11.74 -19.2229 12.1231 -15.9292 2.31264 TIMING: 3915000 CPU: 12696.9, 0.00311859/step Wall: 12696.9, 0.00311859/step, 0.939909 hours remaining, 233.402344 MB of memory in use. ENERGY: 3915000 3958.7585 20240.7046 14485.3023 242.7311 -203229.1124 2621.9795 0.0000 0.0000 51944.0960 -109735.5406 298.5234 -161679.6365 -109363.3963 298.2977 81.5755 108.4483 761636.5787 9.7660 9.5450 PRESSURE: 3915200 -729.512 77.2385 42.3005 77.2389 273.117 88.4799 42.3013 88.4811 -204.127 GPRESSURE: 3915200 -663.386 13.4465 -6.48313 57.6164 207.125 133.433 5.35805 189.121 -120.434 PRESSAVG: 3915200 -37.4548 13.0072 26.7543 13.0072 19.6452 11.423 26.7542 11.423 -8.57065 GPRESSAVG: 3915200 -36.5892 12.1679 26.7217 12.6081 18.1397 11.7913 27.6767 9.00985 -8.57095 TIMING: 3915200 CPU: 12697.5, 0.00315059/step Wall: 12697.5, 0.00315058/step, 0.949376 hours remaining, 233.402344 MB of memory in use. ENERGY: 3915200 4020.9416 20307.4983 14488.5796 249.4393 -203420.3303 2713.9110 0.0000 0.0000 51974.9381 -109665.0224 298.7007 -161639.9605 -109312.0952 298.0709 -220.1739 -192.2317 762991.2308 -8.7934 -9.0068 PRESSURE: 3915400 216.606 -142.605 -160.948 -142.604 -317.835 223.79 -160.949 223.791 377.139 GPRESSURE: 3915400 366.564 -176.655 -251.668 28.8491 -227.575 171.468 -94.8054 219.637 219.247 PRESSAVG: 3915400 7.0927 -45.9768 -54.83 -45.9768 -22.3387 29.1428 -54.83 29.1429 2.40224 GPRESSAVG: 3915400 7.62307 -45.1134 -55.585 -45.5277 -22.8606 29.169 -54.5531 28.245 2.53761 TIMING: 3915400 CPU: 12698.1, 0.00312963/step Wall: 12698.1, 0.00312963/step, 0.942889 hours remaining, 233.402344 MB of memory in use. ENERGY: 3915400 3997.2600 20476.9908 14483.4595 248.4214 -203909.7901 2995.0815 0.0000 0.0000 51915.3844 -109793.1924 298.3584 -161708.5768 -109434.2538 298.5118 91.9702 119.4121 761773.7604 -4.2812 -4.2333 PRESSURE: 3915600 60.0515 135.983 105.428 135.982 166.073 -75.323 105.428 -75.3218 -97.3441 GPRESSURE: 3915600 105.408 35.9703 87.1707 155.944 127.692 -7.32666 127.898 -172.92 -28.018 PRESSAVG: 3915600 55.3876 -31.0399 -71.3865 -31.0399 -50.4747 -7.31209 -71.3865 -7.31198 15.4647 GPRESSAVG: 3915600 54.7658 -31.0967 -72.3035 -30.0765 -50.5058 -8.4446 -71.8039 -7.48593 16.317 TIMING: 3915600 CPU: 12698.8, 0.00310675/step Wall: 12698.8, 0.00310675/step, 0.935823 hours remaining, 233.402344 MB of memory in use. ENERGY: 3915600 3975.3724 20567.9948 14390.3840 231.7427 -203345.1054 2687.7335 0.0000 0.0000 51761.9525 -109729.9254 297.4767 -161491.8779 -109370.0973 298.5236 42.9268 68.3607 762285.5267 6.7926 6.8590 PRESSURE: 3915800 -4.63271 78.4392 15.1375 78.4388 -279.664 159.608 15.1376 159.608 -28.7943 GPRESSURE: 3915800 -94.1489 69.8446 -62.0459 37.0255 -116.72 200.087 106.959 72.6948 -24.6491 PRESSAVG: 3915800 -10.9166 -34.471 19.0151 -34.4709 44.0365 18.4117 19.0151 18.4116 4.58536 GPRESSAVG: 3915800 -11.5825 -31.2226 19.7928 -36.5936 45.3556 18.6405 20.1307 17.7319 4.29301 TIMING: 3915800 CPU: 12699.4, 0.003108/step Wall: 12699.4, 0.003108/step, 0.936026 hours remaining, 233.402344 MB of memory in use. ENERGY: 3915800 3983.0302 20602.5987 14413.0657 262.3092 -203127.5830 2451.2142 0.0000 0.0000 51657.3854 -109757.9796 296.8757 -161415.3650 -109404.4777 298.5351 -104.3638 -78.5059 762695.2774 12.5684 12.6887 PRESSURE: 3916000 89.6405 -209.144 -55.7522 -209.144 -156.104 -78.62 -55.7522 -78.6203 226.848 GPRESSURE: 3916000 87.7439 -204.243 -20.1499 -317.256 -109.932 -62.0368 38.7693 -62.0491 248.831 PRESSAVG: 3916000 -4.00217 -28.8373 75.6634 -28.8372 -11.9054 4.63986 75.6634 4.63986 15.0423 GPRESSAVG: 3916000 -3.45259 -32.6382 76.1826 -28.1635 -13.0718 5.46914 76.7528 5.30682 15.5198 TIMING: 3916000 CPU: 12700, 0.00311649/step Wall: 12700, 0.00311649/step, 0.938409 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 4066.3151 20603.9260 14480.7715 233.4616 -203981.5453 3136.3041 0.0000 0.0000 51850.4673 -109610.2998 297.9853 -161460.7671 -109249.9397 298.3190 53.4615 75.5479 761602.7906 -0.2884 -0.3349 PRESSURE: 3916200 104.546 34.4564 -48.1286 34.4563 286.847 4.70708 -48.1289 4.70843 -4.08261 GPRESSURE: 3916200 143.515 120.62 -28.8179 -21.485 287.24 11.1763 -36.0315 -25.8519 39.6669 PRESSAVG: 3916200 -21.8169 -23.1277 -21.0002 -23.1277 7.04833 59.45 -21.0001 59.4499 -4.39353 GPRESSAVG: 3916200 -22.3515 -22.5157 -19.903 -21.9462 6.79323 60.4398 -22.9084 59.6754 -4.3363 TIMING: 3916200 CPU: 12700.6, 0.0031224/step Wall: 12700.6, 0.0031224/step, 0.940016 hours remaining, 233.402344 MB of memory in use. ENERGY: 3916200 4000.6083 20469.7534 14430.8216 235.1105 -203727.8799 2673.6172 0.0000 0.0000 52195.4176 -109722.5513 299.9678 -161917.9690 -109367.9251 298.8735 129.1035 156.8074 762899.7641 -6.3874 -6.6315 LDB: ============= START OF LOAD BALANCING ============== 12713.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12713.1 LDB: =============== DONE WITH MIGRATION ================ 12713.1 LDB: ============= START OF LOAD BALANCING ============== 12713.4 LDB: Largest compute 7033 load 0.030603 is 15.7% of average load 0.195475 LDB: Average compute 0.004412 is 2.3% of average load 0.195475 LDB: TIME 12713.4 LOAD: AVG 0.195475 MAX 0.217477 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.387 MB LDB: TIME 12713.4 LOAD: AVG 0.195475 MAX 0.217477 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: TIME 12713.4 LOAD: AVG 0.195475 MAX 0.217477 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: ============== END OF LOAD BALANCING =============== 12713.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12713.4 PRESSURE: 3916400 -83.4103 -0.624763 242.714 -0.623791 80.214 -98.1958 242.715 -98.197 208.432 GPRESSURE: 3916400 -69.9321 -99.5267 209.745 -15.1722 186.754 -69.2587 230.813 -62.312 180.704 PRESSAVG: 3916400 -45.547 -9.70789 37.4789 -9.70788 52.4887 7.50337 37.4789 7.50331 -16.7951 GPRESSAVG: 3916400 -46.3432 -9.54371 35.6622 -10.206 53.7489 6.49491 37.3296 7.42966 -17.0058 TIMING: 3916400 CPU: 12701.3, 0.00321663/step Wall: 12701.3, 0.00321663/step, 0.968205 hours remaining, 235.003906 MB of memory in use. ENERGY: 3916400 3956.2913 20581.4586 14354.7623 254.0634 -203410.6978 2579.0260 0.0000 0.0000 52176.7801 -109508.3160 299.8607 -161685.0962 -109146.0263 299.0672 68.4120 99.1753 761235.7196 -3.2844 -3.2000 PRESSURE: 3916600 -84.7971 -101.672 53.8563 -101.672 -126.45 -85.9947 53.8559 -85.9942 -107.892 GPRESSURE: 3916600 -170.512 -218.527 81.2491 -8.08871 -27.3146 -95.7119 202.186 -75.1192 -32.7119 PRESSAVG: 3916600 -4.52606 -57.0423 53.8118 -57.0423 10.8096 28.1054 53.8117 28.1055 11.8222 GPRESSAVG: 3916600 -5.31558 -59.3826 54.9835 -55.8143 11.667 27.0544 54.7874 28.8739 11.7634 TIMING: 3916600 CPU: 12701.9, 0.00313449/step Wall: 12701.9, 0.00313449/step, 0.943307 hours remaining, 235.074219 MB of memory in use. ENERGY: 3916600 3913.5562 20432.7133 14431.5918 246.8054 -203013.3883 2388.4979 0.0000 0.0000 51993.2773 -109606.9464 298.8061 -161600.2238 -109245.4086 298.7791 -106.3798 -76.8462 759695.5585 6.0353 6.0383 PRESSURE: 3916800 -90.3088 -222.426 24.4319 -222.427 -18.2772 -185.267 24.4321 -185.268 242.13 GPRESSURE: 3916800 -70.6641 -131.909 -13.5024 -296.023 -23.5842 -213.75 5.5544 -125.878 313.091 PRESSAVG: 3916800 17.1986 -0.135669 56.9418 -0.135653 -27.5178 5.7791 56.9418 5.77911 14.9229 GPRESSAVG: 3916800 17.8978 3.49612 54.6941 -3.23913 -28.7627 7.5919 57.0291 4.27557 15.5318 TIMING: 3916800 CPU: 12702.5, 0.00315097/step Wall: 12702.5, 0.00315097/step, 0.948091 hours remaining, 235.074219 MB of memory in use. ENERGY: 3916800 4017.8072 20577.8125 14450.6113 253.9069 -203740.3092 2759.2532 0.0000 0.0000 51989.8666 -109691.0514 298.7865 -161680.9180 -109326.7638 298.5607 44.5147 72.9475 761153.3343 1.5345 1.5556 PRESSURE: 3917000 71.4808 88.5406 98.7965 88.5404 -1.1504 392.024 98.7955 392.025 59.6131 GPRESSURE: 3917000 31.8693 156.951 176.826 -35.6343 74.0008 372.337 -24.0305 249.488 113.283 PRESSAVG: 3917000 -36.6071 -80.3138 9.21304 -80.3138 -7.36919 40.9454 9.21304 40.9454 -3.72202 GPRESSAVG: 3917000 -36.4375 -83.0031 10.1413 -77.6472 -6.89317 39.6094 9.43232 41.4213 -4.12855 TIMING: 3917000 CPU: 12703.2, 0.0031326/step Wall: 12703.2, 0.0031326/step, 0.94239 hours remaining, 235.074219 MB of memory in use. ENERGY: 3917000 3973.0479 20574.9861 14353.3941 229.7753 -203548.1474 2592.1236 0.0000 0.0000 52152.3080 -109672.5124 299.7200 -161824.8204 -109314.6485 299.0104 43.3145 73.0512 761593.5449 -15.8994 -15.8198 PRESSURE: 3917200 -334.106 -203.548 89.1482 -203.548 -567.524 -139.249 89.1473 -139.248 -288.521 GPRESSURE: 3917200 -226.347 -248.49 62.0631 -155.58 -571.476 -57.5097 31.4435 39.7662 -310.396 PRESSAVG: 3917200 41.3931 -40.7012 53.1032 -40.7011 -76.7245 19.0158 53.1031 19.0159 -4.03661 GPRESSAVG: 3917200 42.7994 -40.7564 53.5434 -41.0457 -77.2915 21.0094 50.7086 20.8098 -4.087 TIMING: 3917200 CPU: 12703.8, 0.00312061/step Wall: 12703.8, 0.00312061/step, 0.93861 hours remaining, 235.074219 MB of memory in use. ENERGY: 3917200 4030.1365 20571.4838 14447.1222 231.3319 -203458.2608 2466.5229 0.0000 0.0000 51918.2531 -109793.4104 298.3749 -161711.6635 -109421.5916 298.6506 -396.7170 -369.4062 761528.6941 -13.1226 -12.8597 PRESSURE: 3917400 141.084 -259.634 39.5111 -259.633 -55.6737 49.9924 39.5116 49.9928 -74.3961 GPRESSURE: 3917400 131.691 -195.191 24.3109 -214.655 0.688373 -42.3349 86.9122 113.967 -22.0061 PRESSAVG: 3917400 16.7083 -10.379 17.4986 -10.379 -29.1469 74.656 17.4986 74.656 21.215 GPRESSAVG: 3917400 14.9459 -9.60895 16.0673 -9.50973 -27.2302 72.8192 20.4906 73.6059 21.2536 TIMING: 3917400 CPU: 12704.4, 0.00311726/step Wall: 12704.4, 0.00311726/step, 0.937428 hours remaining, 235.074219 MB of memory in use. ENERGY: 3917400 3863.3735 20508.1344 14510.5652 239.0316 -203473.8443 2574.3701 0.0000 0.0000 51806.7010 -109971.6686 297.7338 -161778.3696 -109611.4994 298.2450 3.6714 36.7910 761007.6100 2.9254 2.9898 PRESSURE: 3917600 -89.6486 1.59406 58.1217 1.59444 110.804 -93.0309 58.1223 -93.0317 -168.036 GPRESSURE: 3917600 -114.272 32.4559 33.841 -18.2818 145.339 -41.5024 47.0531 -161.538 -100.722 PRESSAVG: 3917600 36.8805 10.5241 30.3296 10.5241 -41.975 68.0026 30.3296 68.0026 6.93202 GPRESSAVG: 3917600 37.8987 10.9224 32.6913 9.68836 -42.6732 66.9892 27.8422 67.1459 7.00824 TIMING: 3917600 CPU: 12705, 0.00313745/step Wall: 12705, 0.00313745/step, 0.943326 hours remaining, 235.074219 MB of memory in use. ENERGY: 3917600 3928.3186 20475.8231 14448.3506 274.6091 -203578.4904 2631.6097 0.0000 0.0000 51812.5869 -110007.1923 297.7676 -161819.7792 -109652.5089 297.8157 -48.9602 -23.2182 761951.9037 0.6125 0.7446 PRESSURE: 3917800 142.015 102.242 145.159 102.241 -137.56 35.1136 145.159 35.1143 -158.892 GPRESSURE: 3917800 153.376 136.341 148.902 136.698 -88.8447 -9.26363 28.8598 52.5885 -134.018 PRESSAVG: 3917800 99.3195 -8.10509 37.3624 -8.10508 -52.1984 -44.2346 37.3624 -44.2346 -4.43356 GPRESSAVG: 3917800 99.8126 -5.42894 33.8801 -10.1206 -54.0009 -43.0657 38.374 -44.5933 -3.10488 TIMING: 3917800 CPU: 12705.7, 0.00316214/step Wall: 12705.7, 0.00316214/step, 0.950575 hours remaining, 235.074219 MB of memory in use. ENERGY: 3917800 3949.7309 20611.7870 14457.4443 219.4322 -203486.5546 2832.6842 0.0000 0.0000 51668.4004 -109747.0755 296.9390 -161415.4759 -109380.6016 298.3796 -51.4789 -23.1625 761971.3439 14.2292 14.2356 PRESSURE: 3918000 -252.45 188.198 -164.741 188.198 13.9618 -1.96126 -164.74 -1.9616 341.944 GPRESSURE: 3918000 -177.278 80.2392 -72.5557 197.987 23.1622 -26.1324 -84.9498 -47.1083 366.603 PRESSAVG: 3918000 25.7987 -5.75193 10.8481 -5.7519 -59.9628 23.6682 10.848 23.6683 -15.8445 GPRESSAVG: 3918000 25.9653 -6.16789 13.3702 -5.05418 -59.6185 23.9862 11.9805 24.7233 -16.3946 TIMING: 3918000 CPU: 12706.3, 0.00314842/step Wall: 12706.3, 0.00314842/step, 0.946276 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3918000 3967.5795 20344.8439 14420.4065 252.1505 -203334.9760 2339.0042 0.0000 0.0000 52230.1080 -109780.8833 300.1671 -162010.9913 -109420.1444 298.3208 34.4852 70.8293 761706.5706 -16.6696 -16.6826 PRESSURE: 3918200 -43.8769 8.8901 -52.8139 8.88968 106.571 227.949 -52.8133 227.951 -54.9773 GPRESSURE: 3918200 18.7496 -57.4007 -34.6893 -13.2816 137.151 185.457 74.9568 214.919 -50.4253 PRESSAVG: 3918200 0.246468 -36.2276 26.4251 -36.2276 10.9321 72.078 26.4251 72.078 -15.9933 GPRESSAVG: 3918200 -0.538911 -38.8991 25.4913 -34.9736 10.903 71.934 24.8146 69.9226 -15.2864 TIMING: 3918200 CPU: 12706.9, 0.00314558/step Wall: 12706.9, 0.00314558/step, 0.945248 hours remaining, 235.074219 MB of memory in use. ENERGY: 3918200 3912.4458 20458.2519 14405.4446 221.3180 -203058.5213 2187.0894 0.0000 0.0000 51834.4520 -110039.5196 297.8933 -161873.9716 -109660.4268 297.9068 2.5724 35.1586 762146.6646 -1.6049 -1.6408 PRESSURE: 3918400 -375.011 5.07348 -157.238 5.07255 -166.225 102.201 -157.238 102.201 149.713 GPRESSURE: 3918400 -353.071 80.9069 -129.121 16.2799 -161.384 156.987 -97.2104 34.203 197.604 PRESSAVG: 3918400 36.8392 1.19818 48.6464 1.19814 -41.8074 49.2311 48.6464 49.2312 4.15403 GPRESSAVG: 3918400 36.5037 2.32058 50.9912 0.869934 -40.4886 50.2467 46.2962 48.9303 3.12167 TIMING: 3918400 CPU: 12707.6, 0.00312979/step Wall: 12707.6, 0.00312979/step, 0.940329 hours remaining, 235.074219 MB of memory in use. ENERGY: 3918400 3961.6251 20454.7210 14420.0240 235.0444 -203550.6348 2673.4730 0.0000 0.0000 51872.7373 -109933.0100 298.1133 -161805.7473 -109565.0488 297.4778 -130.5078 -105.6170 761837.1196 -0.2714 -0.2878 PRESSURE: 3918600 155.51 -46.7907 -79.2911 -46.7894 -284.832 -42.7144 -79.2912 -42.7141 87.5832 GPRESSURE: 3918600 251.75 126.609 -139.364 -28.9554 -184.335 -50.3558 -3.45424 -117.007 -12.4723 PRESSAVG: 3918600 8.83403 -15.4428 45.4441 -15.4428 -9.68826 -9.68568 45.4441 -9.68572 3.81934 GPRESSAVG: 3918600 10.0904 -15.0844 44.7633 -17.2491 -10.108 -11.9582 47.7726 -8.58152 2.78909 TIMING: 3918600 CPU: 12708.2, 0.00314142/step Wall: 12708.2, 0.00314142/step, 0.943647 hours remaining, 235.074219 MB of memory in use. ENERGY: 3918600 3921.9993 20542.4779 14468.9076 242.6495 -203223.0558 2443.0390 0.0000 0.0000 51944.3087 -109659.6739 298.5247 -161603.9826 -109299.8726 298.2076 -13.9129 18.3140 761816.7545 0.9884 0.9238 PRESSURE: 3918800 -276.781 -182.142 -134.527 -182.142 221.987 -88.9324 -134.527 -88.9319 373.981 GPRESSURE: 3918800 -235.18 -82.3593 -110.957 -77.3942 198.327 -153.728 -207.953 -93.4123 415.366 PRESSAVG: 3918800 -36.4242 8.47754 46.4799 8.47752 3.83615 -32.7461 46.48 -32.7461 17.0015 GPRESSAVG: 3918800 -35.704 9.09094 46.8022 9.30902 2.08325 -32.9001 43.6145 -31.3306 17.5743 TIMING: 3918800 CPU: 12708.8, 0.0031384/step Wall: 12708.8, 0.0031384/step, 0.942566 hours remaining, 235.074219 MB of memory in use. ENERGY: 3918800 3986.4733 20705.6400 14419.0333 257.8955 -203533.9845 2676.6414 0.0000 0.0000 52043.7410 -109444.5601 299.0961 -161488.3011 -109087.7503 298.8669 106.3959 126.1709 762733.0246 -5.1955 -5.3488 PRESSURE: 3919000 216.829 -107.221 -141.872 -107.223 -179.31 -33.9998 -141.871 -33.999 -312.341 GPRESSURE: 3919000 248.269 -258.907 -60.7704 -114.454 -221.296 -3.65208 -126.767 -140.459 -230.632 PRESSAVG: 3919000 86.5106 -32.0968 -32.7044 -32.0967 -49.1833 4.57186 -32.7045 4.57185 -28.1206 GPRESSAVG: 3919000 84.416 -34.002 -33.9419 -31.5334 -47.3717 5.32522 -30.0201 2.4811 -28.3666 TIMING: 3919000 CPU: 12709.4, 0.00313603/step Wall: 12709.4, 0.00313603/step, 0.941681 hours remaining, 235.074219 MB of memory in use. ENERGY: 3919000 4025.3456 20394.9418 14501.4034 255.7256 -203336.9963 2677.3381 0.0000 0.0000 52009.8812 -109472.3606 298.9015 -161482.2418 -109108.1740 299.1615 -91.6073 -67.8864 762394.0372 3.0689 2.8925 PRESSURE: 3919200 1.35413 -112.885 -0.740043 -112.886 -166.598 -56.9151 -0.739009 -56.9145 -188.803 GPRESSURE: 3919200 56.2991 -95.0103 -58.4502 -171.729 -146.603 -56.4284 64.7588 -89.3694 -187.63 PRESSAVG: 3919200 3.36548 -11.53 46.9175 -11.53 -20.5944 25.8981 46.9176 25.8981 -12.2392 GPRESSAVG: 3919200 3.32946 -9.66201 46.727 -12.0681 -20.8927 25.8117 47.0641 27.7817 -11.3543 TIMING: 3919200 CPU: 12710.1, 0.003117/step Wall: 12710.1, 0.003117/step, 0.935792 hours remaining, 235.074219 MB of memory in use. ENERGY: 3919200 3941.4160 20627.2013 14508.8592 248.1374 -203394.1591 2577.1891 0.0000 0.0000 51926.6378 -109564.7183 298.4231 -161491.3561 -109201.5058 298.5808 -118.0157 -92.6445 763205.0784 -9.8227 -9.6392 PRESSURE: 3919400 211.63 -263.981 174.145 -263.98 -291.865 -10.7855 174.144 -10.7855 -111.908 GPRESSURE: 3919400 235.665 -173.802 40.3437 -182.466 -252.508 6.78943 32.5472 8.20135 -85.1359 PRESSAVG: 3919400 24.3901 -21.525 52.3569 -21.525 9.26291 -37.2486 52.357 -37.2486 -8.39093 GPRESSAVG: 3919400 24.2741 -24.5016 52.0807 -19.6833 9.31896 -36.8628 49.8653 -38.4433 -8.81673 TIMING: 3919400 CPU: 12710.7, 0.00310764/step Wall: 12710.7, 0.00310764/step, 0.932811 hours remaining, 235.074219 MB of memory in use. ENERGY: 3919400 3861.3562 20521.8617 14539.1831 256.1819 -203365.5924 2527.2355 0.0000 0.0000 52090.8331 -109568.9409 299.3667 -161659.7740 -109207.7169 298.6339 -64.0477 -33.9927 761277.5057 8.4207 8.2588 PRESSURE: 3919600 -443.06 188.24 -187.099 188.239 -81.1019 -340.064 -187.098 -340.064 -335.46 GPRESSURE: 3919600 -346.641 125.51 -195.494 222.089 -87.6628 -403.507 -113.014 -187.412 -320.457 PRESSAVG: 3919600 -20.9953 1.6784 -34.749 1.67839 -25.7562 -92.4834 -34.749 -92.4834 -6.04971 GPRESSAVG: 3919600 -20.8242 1.44666 -33.8596 1.32539 -26.6373 -94.4119 -33.9623 -90.7637 -5.53296 TIMING: 3919600 CPU: 12711.3, 0.00311637/step Wall: 12711.3, 0.00311637/step, 0.935256 hours remaining, 235.074219 MB of memory in use. ENERGY: 3919600 3961.3659 20452.7845 14485.3023 257.1625 -203446.1073 2422.4631 0.0000 0.0000 52203.1604 -109663.8686 300.0123 -161867.0290 -109298.0865 298.8097 -286.5405 -251.5867 761842.3718 -17.6004 -17.6648 PRESSURE: 3919800 304.19 -237.011 -65.7796 -237.012 -18.3299 126.282 -65.7788 126.282 -10.2396 GPRESSURE: 3919800 307.987 -44.3211 17.3964 -268.973 10.8343 151.995 -31.3617 86.2669 25.5243 PRESSAVG: 3919800 64.5835 0.436833 -7.98489 0.436862 -35.9268 -44.7499 -7.98481 -44.75 -4.82111 GPRESSAVG: 3919800 63.8132 2.12948 -8.74675 0.0185252 -35.1663 -44.2018 -7.56592 -45.3566 -4.61476 TIMING: 3919800 CPU: 12711.9, 0.00312221/step Wall: 12711.9, 0.00312221/step, 0.936835 hours remaining, 235.074219 MB of memory in use. ENERGY: 3919800 3995.8847 20547.9904 14517.0934 234.2609 -203742.0226 2807.7297 0.0000 0.0000 52038.1394 -109600.9241 299.0639 -161639.0635 -109236.0992 299.2962 91.8735 114.7818 760397.9465 7.9452 8.0107 PRESSURE: 3920000 -41.0601 66.9227 -127.679 66.9229 12.662 -248.272 -127.678 -248.272 28.6362 GPRESSURE: 3920000 -86.1426 -35.6666 -107.554 90.1081 113.571 -174.108 -115.484 -214.107 52.617 PRESSAVG: 3920000 16.047 -53.8271 -22.0524 -53.8272 -11.7924 -8.24876 -22.0523 -8.24871 10.8355 GPRESSAVG: 3920000 16.1237 -52.7083 -22.1702 -55.0276 -11.1951 -7.46414 -21.3152 -6.82953 9.76877 TIMING: 3920000 CPU: 12712.6, 0.00311729/step Wall: 12712.6, 0.00311729/step, 0.935186 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3920000 4008.7565 20483.1251 14533.4517 240.5471 -203802.0902 2718.9656 0.0000 0.0000 52071.9080 -109745.3361 299.2580 -161817.2441 -109382.7348 299.2277 0.0794 26.6820 761116.7276 5.0300 4.8991 PRESSURE: 3920200 -18.7361 -81.7329 5.2509 -81.733 -200.124 172.118 5.25064 172.118 -428.813 GPRESSURE: 3920200 -90.599 -28.8495 -45.4711 -21.3032 -50.9991 173.348 -72.9876 131.346 -422.499 PRESSAVG: 3920200 48.7768 -22.0127 -71.8127 -22.0127 -44.0266 -39.9614 -71.8126 -39.9615 -8.5999 GPRESSAVG: 3920200 50.1569 -23.4936 -72.2808 -20.7771 -45.3432 -39.2912 -71.7928 -43.9177 -8.34279 TIMING: 3920200 CPU: 12713.2, 0.00311615/step Wall: 12713.2, 0.00311614/step, 0.93467 hours remaining, 235.074219 MB of memory in use. ENERGY: 3920200 3967.5034 20545.6551 14543.8254 258.0443 -203600.8614 2672.2784 0.0000 0.0000 51890.3415 -109723.2133 298.2145 -161613.5548 -109359.7514 298.7186 -215.8909 -188.0325 761111.6029 -1.2832 -1.1764 LDB: ============= START OF LOAD BALANCING ============== 12725.6 LDB: ============== END OF LOAD BALANCING =============== 12725.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12725.6 LDB: ============= START OF LOAD BALANCING ============== 12725.9 LDB: Largest compute 7036 load 0.031480 is 16.1% of average load 0.195502 LDB: Average compute 0.004418 is 2.3% of average load 0.195502 LDB: TIME 12725.9 LOAD: AVG 0.195502 MAX 0.218097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.316 MB LDB: TIME 12725.9 LOAD: AVG 0.195502 MAX 0.218097 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.316 MB LDB: TIME 12725.9 LOAD: AVG 0.195502 MAX 0.218097 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.316 MB LDB: ============== END OF LOAD BALANCING =============== 12725.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12725.9 PRESSURE: 3920400 -114.73 45.8415 100.369 45.8414 -253.01 -28.4941 100.369 -28.4942 -452.584 GPRESSURE: 3920400 -92.8107 150.599 67.8979 56.6987 -220.481 -115.881 -53.4551 75.1091 -421.676 PRESSAVG: 3920400 28.6753 -57.3391 -29.6877 -57.3391 -25.5479 -26.7633 -29.6876 -26.7632 5.9603 GPRESSAVG: 3920400 27.4501 -56.9568 -30.1211 -57.7596 -24.4322 -27.7171 -28.3892 -25.8894 6.50526 TIMING: 3920400 CPU: 12713.8, 0.00319339/step Wall: 12713.8, 0.00319339/step, 0.957663 hours remaining, 234.113281 MB of memory in use. ENERGY: 3920400 3990.6746 20511.3199 14439.1071 263.0071 -203763.4879 2498.7562 0.0000 0.0000 52368.2027 -109692.4204 300.9608 -162060.6231 -109332.3876 299.0704 -273.4415 -244.9893 758981.0031 3.0292 3.1744 PRESSURE: 3920600 -71.6368 -80.8903 22.2861 -80.8894 -76.3237 -14.6304 22.2853 -14.6303 -125.025 GPRESSURE: 3920600 -96.7485 38.4111 -86.5497 -125.57 -13.0852 -17.8992 -132.022 -66.6989 -66.079 PRESSAVG: 3920600 6.56735 11.6112 -83.3162 11.6113 -20.1996 26.0305 -83.3162 26.0305 -16.8149 GPRESSAVG: 3920600 6.5697 12.4761 -82.1049 12.5556 -21.4955 26.5665 -84.8178 28.3453 -15.8277 TIMING: 3920600 CPU: 12714.4, 0.00313063/step Wall: 12714.4, 0.00313063/step, 0.938666 hours remaining, 234.339844 MB of memory in use. ENERGY: 3920600 3996.6211 20491.3567 14496.4411 236.1497 -203234.6681 2303.7093 0.0000 0.0000 51959.9631 -109750.4270 298.6146 -161710.3901 -109395.1493 298.2137 -90.9951 -58.6376 758370.5499 -10.1491 -10.2512 PRESSURE: 3920800 39.2801 227.306 85.0977 227.307 106.89 175.527 85.0979 175.527 -105.067 GPRESSURE: 3920800 90.2823 92.4033 -9.77633 234.684 141.676 208.238 57.0071 72.3395 -100.304 PRESSAVG: 3920800 36.4034 20.8139 -71.6294 20.8139 -62.5304 -39.2323 -71.6294 -39.2323 8.69038 GPRESSAVG: 3920800 38.1574 19.4599 -71.9428 21.0725 -61.4921 -39.0529 -73.2005 -39.6174 6.12369 TIMING: 3920800 CPU: 12715.1, 0.00312744/step Wall: 12715.1, 0.00312744/step, 0.937536 hours remaining, 234.339844 MB of memory in use. ENERGY: 3920800 3959.2034 20443.4965 14415.3295 248.7758 -203321.6009 2592.9004 0.0000 0.0000 51949.6486 -109712.2467 298.5553 -161661.8954 -109350.8310 298.5164 13.7009 43.8848 759385.8734 -5.8122 -5.7370 PRESSURE: 3921000 42.6629 -111.462 -19.1765 -111.463 -230.488 82.8462 -19.1757 82.8467 29.7291 GPRESSURE: 3921000 -30.3906 60.4192 -159.26 -88.2397 -148.497 96.4191 96.6956 3.77717 88.7767 PRESSAVG: 3921000 5.73005 34.9583 5.56258 34.9583 -6.42541 0.866776 5.56266 0.866747 15.3911 GPRESSAVG: 3921000 3.67028 35.9728 4.01437 35.8207 -5.85909 0.788598 10.3927 0.0477102 16.6712 TIMING: 3921000 CPU: 12715.7, 0.00312441/step Wall: 12715.7, 0.00312441/step, 0.936454 hours remaining, 234.339844 MB of memory in use. ENERGY: 3921000 3966.8126 20511.1837 14498.4498 238.0729 -203159.9236 2283.6791 0.0000 0.0000 52017.1454 -109644.5800 298.9432 -161661.7255 -109287.0598 298.2583 -52.6988 -30.0370 759016.8430 4.8986 4.8275 PRESSURE: 3921200 108.628 196.888 -97.9695 196.888 209.655 209.49 -97.969 209.491 -115.357 GPRESSURE: 3921200 158.439 166.816 15.8988 267.86 156.077 213.705 -82.0124 -2.78527 -17.6143 PRESSAVG: 3921200 17.2454 65.1759 -20.711 65.1758 -7.40175 10.3055 -20.7109 10.3054 14.473 GPRESSAVG: 3921200 17.986 62.3051 -20.9215 64.3317 -7.81217 10.4472 -21.8325 9.37492 13.8205 TIMING: 3921200 CPU: 12716.3, 0.00311951/step Wall: 12716.3, 0.00311951/step, 0.934813 hours remaining, 234.339844 MB of memory in use. ENERGY: 3921200 3978.4567 20322.7063 14507.5979 240.4358 -203654.4877 2738.8513 0.0000 0.0000 52053.7605 -109812.6792 299.1537 -161866.4398 -109444.3723 299.0456 67.6421 98.9672 757718.4634 8.1056 7.9981 PRESSURE: 3921400 -187.463 -139.983 -87.9957 -139.982 116.933 -86.5472 -87.996 -86.5466 122.238 GPRESSURE: 3921400 -21.8136 10.6326 -22.2538 -161.841 45.0841 -30.6998 -36.0977 25.0372 115.362 PRESSAVG: 3921400 55.0503 47.4437 20.4029 47.4437 -16.3213 30.8562 20.403 30.8562 14.6692 GPRESSAVG: 3921400 56.8339 50.6689 22.2442 46.276 -17.968 31.0183 19.5084 30.9278 14.9078 TIMING: 3921400 CPU: 12716.9, 0.00313054/step Wall: 12716.9, 0.00313054/step, 0.937946 hours remaining, 234.339844 MB of memory in use. ENERGY: 3921400 3890.5619 20315.2110 14480.3952 244.2259 -203470.0369 2710.3403 0.0000 0.0000 52216.2814 -109613.0212 300.0877 -161829.3026 -109243.8576 298.7431 17.2360 46.2109 760908.1695 17.7994 17.9245 PRESSURE: 3921600 -350.703 112.723 47.9951 112.723 -532.684 160.195 47.9944 160.195 -329.439 GPRESSURE: 3921600 -334.59 60.744 -13.5549 -19.0296 -438.279 141.985 216.054 161.759 -347.874 PRESSAVG: 3921600 43.7132 4.38434 -28.5839 4.38429 -57.2509 62.2584 -28.5838 62.2584 -12.479 GPRESSAVG: 3921600 42.0707 4.14561 -28.6008 4.23 -56.2286 63.7561 -28.6975 62.4952 -12.1654 TIMING: 3921600 CPU: 12717.6, 0.00310968/step Wall: 12717.6, 0.00310969/step, 0.931523 hours remaining, 234.339844 MB of memory in use. ENERGY: 3921600 3981.2674 20516.8470 14490.2460 267.0648 -202642.9506 2101.6710 0.0000 0.0000 51892.9379 -109392.9165 298.2294 -161285.8544 -109025.3935 299.0564 -404.2754 -373.5811 763121.5548 -8.6723 -8.7744 PRESSURE: 3921800 -89.4219 177.197 76.4967 177.198 -349.674 9.51309 76.4966 9.51202 -242.039 GPRESSURE: 3921800 -14.1095 133.825 115.287 262.092 -316.083 -67.3522 -101.042 72.9147 -268.502 PRESSAVG: 3921800 64.8807 34.406 -31.4513 34.4059 -49.6964 53.8482 -31.4513 53.8483 1.78543 GPRESSAVG: 3921800 65.6824 32.0027 -31.6768 34.7625 -49.7684 52.0209 -33.8088 53.3224 1.10094 TIMING: 3921800 CPU: 12718.2, 0.00309909/step Wall: 12718.2, 0.00309909/step, 0.928176 hours remaining, 234.406250 MB of memory in use. ENERGY: 3921800 3978.4282 20592.6561 14464.1130 250.5118 -202642.3174 2031.1100 0.0000 0.0000 51979.3959 -109346.1023 298.7263 -161325.4982 -108994.7389 298.9688 -227.0447 -199.5648 762885.4269 5.6566 5.6716 PRESSURE: 3922000 191.931 -88.5182 57.7004 -88.5178 -119.471 -231.328 57.6996 -231.328 132.814 GPRESSURE: 3922000 94.2273 -124.388 -51.9359 44.5781 29.1803 -262.8 54.8072 -115.497 147.329 PRESSAVG: 3922000 -28.6533 3.79855 33.904 3.79849 15.1725 -18.7133 33.904 -18.7133 3.74323 GPRESSAVG: 3922000 -29.3225 5.91531 33.3894 5.27007 15.3044 -19.9428 35.63 -16.9805 4.56434 TIMING: 3922000 CPU: 12718.8, 0.00311653/step Wall: 12718.8, 0.00311653/step, 0.933228 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3922000 3911.3152 20388.0837 14502.2608 251.9298 -203327.2956 2534.0883 0.0000 0.0000 51966.9599 -109772.6578 298.6548 -161739.6177 -109412.9944 299.1918 68.4248 90.2455 761694.3027 -3.2459 -3.1512 PRESSURE: 3922200 -99.2852 243.551 -107.84 243.551 -90.7886 62.9799 -107.84 62.9795 -243.277 GPRESSURE: 3922200 -143.31 204.881 -63.2644 51.7866 -152.258 1.3269 -108.984 125.359 -57.2169 PRESSAVG: 3922200 35.3551 -5.67138 2.03199 -5.6714 -15.9493 -28.2491 2.03195 -28.2491 1.21506 GPRESSAVG: 3922200 35.5195 -6.94678 3.5242 -6.76798 -14.2673 -27.0332 2.19598 -28.4311 -0.384305 TIMING: 3922200 CPU: 12719.4, 0.00311556/step Wall: 12719.4, 0.00311556/step, 0.932763 hours remaining, 234.406250 MB of memory in use. ENERGY: 3922200 3969.2913 20275.0475 14431.5937 258.6841 -203194.1667 2373.5098 0.0000 0.0000 51938.1966 -109947.8435 298.4895 -161886.0402 -109584.3889 298.3427 -144.4501 -117.5950 761971.6804 6.8736 6.9559 PRESSURE: 3922400 -162.901 -144.069 39.6578 -144.068 -310.962 -182.485 39.6576 -182.484 83.4522 GPRESSURE: 3922400 -78.8114 -188.669 47.4169 -149.616 -256.718 -190.525 32.7341 -84.2987 42.2217 PRESSAVG: 3922400 35.328 -39.1768 0.211839 -39.1767 -25.7792 -26.2337 0.211802 -26.2336 -19.0752 GPRESSAVG: 3922400 37.0231 -37.6135 -0.618213 -38.8617 -28.1803 -24.5384 -0.0864944 -26.2527 -18.2088 TIMING: 3922400 CPU: 12720.1, 0.00311359/step Wall: 12720.1, 0.00311359/step, 0.932001 hours remaining, 234.406250 MB of memory in use. ENERGY: 3922400 3926.5038 20371.5664 14435.8565 244.4188 -203765.5921 2720.7793 0.0000 0.0000 52029.1843 -110037.2830 299.0124 -162066.4673 -109673.7509 297.9191 -130.1369 -97.7691 761670.2682 -3.1754 -3.1220 PRESSURE: 3922600 183.167 -118.394 43.4234 -118.395 136.886 -103.714 43.4226 -103.714 -208.252 GPRESSURE: 3922600 189.038 -1.59033 160.815 -41.9828 182.016 -48.5475 9.11836 -169.217 -154.913 PRESSAVG: 3922600 48.0768 -17.0157 30.6439 -17.0157 -78.9039 12.2064 30.6439 12.2064 -5.9213 GPRESSAVG: 3922600 45.2398 -17.1254 32.3054 -16.9111 -76.9791 9.65137 30.0229 14.4593 -5.10026 TIMING: 3922600 CPU: 12720.7, 0.0031156/step Wall: 12720.7, 0.0031156/step, 0.932428 hours remaining, 234.406250 MB of memory in use. ENERGY: 3922600 3933.0032 20293.4460 14506.3596 235.0883 -203196.5662 2387.4345 0.0000 0.0000 51804.6683 -110036.5664 297.7221 -161841.2347 -109684.8672 298.0707 37.2670 72.0473 761607.4083 -12.2495 -12.2799 PRESSURE: 3922800 10.9134 24.5912 -8.74595 24.592 -30.2923 197.772 -8.74492 197.771 32.3914 GPRESSURE: 3922800 76.3259 97.6668 105.01 -73.4313 -15.3837 190.03 -43.4246 229.76 36.7553 PRESSAVG: 3922800 15.8872 -6.27106 30.4023 -6.271 24.1365 -4.60618 30.4023 -4.60623 -11.6508 GPRESSAVG: 3922800 16.5433 -6.59353 29.4965 -7.09109 24.6747 -5.04515 30.8724 -6.79842 -12.9506 TIMING: 3922800 CPU: 12721.3, 0.00309835/step Wall: 12721.3, 0.00309835/step, 0.927096 hours remaining, 234.406250 MB of memory in use. ENERGY: 3922800 3873.9551 20334.7153 14499.1039 257.3864 -203159.6165 2306.4112 0.0000 0.0000 51831.0966 -110056.9480 297.8740 -161888.0446 -109704.1325 297.8210 4.3375 32.5658 761358.6247 9.4576 9.4225 PRESSURE: 3923000 283.36 -124.365 314.036 -124.364 264.259 -10.705 314.037 -10.7046 17.5852 GPRESSURE: 3923000 350.674 -42.4422 330.612 -120.103 264.044 -50.5862 212.587 -109.83 24.3383 PRESSAVG: 3923000 23.2053 -20.285 42.7347 -20.2851 -27.6872 -5.37561 42.7346 -5.37555 -3.62228 GPRESSAVG: 3923000 22.9495 -19.7052 42.6866 -17.3491 -29.5388 -5.92209 42.2459 -3.82762 -1.77873 TIMING: 3923000 CPU: 12721.9, 0.00310902/step Wall: 12721.9, 0.00310902/step, 0.930116 hours remaining, 234.406250 MB of memory in use. ENERGY: 3923000 4009.5207 20227.1049 14523.0352 251.5098 -203714.1790 2851.2903 0.0000 0.0000 52093.1448 -109758.5732 299.3800 -161851.7181 -109396.9549 297.7620 188.4012 213.0185 762363.6377 -2.7014 -2.7893 PRESSURE: 3923200 -193.77 137.402 48.2298 137.401 59.0114 -14.7511 48.2294 -14.751 224.425 GPRESSURE: 3923200 -220.543 95.2412 -27.5367 121.359 196.737 89.8843 128.147 -44.9556 205.766 PRESSAVG: 3923200 85.5502 -14.4667 45.3282 -14.4667 -56.4725 -14.3732 45.3282 -14.3732 5.96299 GPRESSAVG: 3923200 86.1348 -15.3335 44.0162 -16.2541 -55.2406 -11.7937 46.7724 -16.0707 4.37713 TIMING: 3923200 CPU: 12722.5, 0.00309976/step Wall: 12722.5, 0.00309976/step, 0.927174 hours remaining, 234.406250 MB of memory in use. ENERGY: 3923200 3988.8927 20376.6029 14521.0631 248.5755 -203780.0125 2874.2078 0.0000 0.0000 51803.5926 -109967.0779 297.7160 -161770.6704 -109609.4010 298.0543 29.8887 60.6531 761452.1913 11.6802 11.7571 PRESSURE: 3923400 -41.8402 139.656 52.1034 139.655 210.966 -1.96452 52.1032 -1.96372 -149.206 GPRESSURE: 3923400 6.6938 19.7853 -30.1633 92.9706 206.182 -36.1192 47.4593 -160.463 -64.1399 PRESSAVG: 3923400 -49.1374 11.7951 32.419 11.7951 19.7451 17.3222 32.419 17.3222 2.052 GPRESSAVG: 3923400 -50.1019 11.7198 31.3037 11.724 20.6318 17.0675 30.4127 16.9652 2.85043 TIMING: 3923400 CPU: 12723.2, 0.00311119/step Wall: 12723.2, 0.00311119/step, 0.93042 hours remaining, 234.406250 MB of memory in use. ENERGY: 3923400 3888.4477 20258.6034 14421.0281 269.5537 -203403.6131 2489.5911 0.0000 0.0000 51988.0560 -110088.3330 298.7761 -162076.3891 -109720.3127 297.5541 6.6398 49.5787 760570.1802 -9.1134 -8.8732 PRESSURE: 3923600 93.9893 124.395 33.7737 124.394 -216.956 119.37 33.7731 119.37 -376.308 GPRESSURE: 3923600 158.838 140.86 -22.0574 121.778 -231.752 116.05 -15.5018 238.584 -339.046 PRESSAVG: 3923600 -55.6403 20.8752 -7.16623 20.8752 33.0172 35.6539 -7.16625 35.6539 7.9975 GPRESSAVG: 3923600 -53.0491 20.1173 -6.13302 20.0101 30.3846 34.3754 -5.46271 34.6373 7.67425 TIMING: 3923600 CPU: 12723.8, 0.00311876/step Wall: 12723.8, 0.00311876/step, 0.932508 hours remaining, 234.406250 MB of memory in use. ENERGY: 3923600 4016.8551 20279.6608 14415.4237 254.6384 -203768.3732 2668.4015 0.0000 0.0000 52063.0120 -110070.3817 299.2068 -162133.3937 -109714.1543 297.4839 -166.4248 -137.3200 762174.4012 -4.8752 -4.9967 PRESSURE: 3923800 -15.04 135.065 134.841 135.065 84.3387 -3.71611 134.842 -3.71747 -184.755 GPRESSURE: 3923800 15.0306 118.291 182.827 120.652 95.9102 33.5209 121.239 57.6505 -158.139 PRESSAVG: 3923800 -42.3362 0.309795 12.2023 0.309785 108.278 -0.0690594 12.2023 -0.0690983 -5.11797 GPRESSAVG: 3923800 -42.2167 1.44993 12.6853 0.507753 109.247 0.22662 12.5933 0.71285 -5.90265 TIMING: 3923800 CPU: 12724.4, 0.00310766/step Wall: 12724.4, 0.00310766/step, 0.929019 hours remaining, 234.406250 MB of memory in use. ENERGY: 3923800 3837.1969 20342.6394 14500.5617 250.5694 -203369.4016 2476.1618 0.0000 0.0000 51949.4392 -110012.8332 298.5541 -161962.2724 -109647.9806 298.4469 -38.4854 -15.7328 760753.1478 20.2747 20.3759 PRESSURE: 3924000 23.1425 -32.0984 42.2669 -32.0986 17.1316 38.6089 42.2675 38.6098 159.041 GPRESSURE: 3924000 -56.7906 20.7811 76.9881 8.73034 190.399 41.7933 86.5642 85.6352 144.397 PRESSAVG: 3924000 -15.4318 -48.3974 18.2916 -48.3975 47.7586 4.68227 18.2916 4.68233 -38.6688 GPRESSAVG: 3924000 -16.1505 -49.4281 17.9989 -48.3047 47.9195 5.08768 18.5695 5.11326 -38.3491 TIMING: 3924000 CPU: 12725, 0.0031181/step Wall: 12725, 0.0031181/step, 0.931967 hours remaining, 234.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3924000 3966.6338 20275.9993 14368.2614 253.6918 -203344.5566 2728.7673 0.0000 0.0000 51943.1048 -109808.0983 298.5177 -161751.2030 -109447.2146 298.2239 66.4382 92.6685 762262.2536 -2.1140 -2.1934 PRESSURE: 3924200 -71.7713 35.6004 -204.62 35.5996 -148.894 -61.8998 -204.621 -61.8997 -326.774 GPRESSURE: 3924200 -15.8128 -1.29101 -188.346 87.552 -129.496 -93.8741 -134.209 -19.2121 -299.754 PRESSAVG: 3924200 -29.7677 -17.8455 14.5333 -17.8454 13.2457 -3.43473 14.5333 -3.43483 -1.42115 GPRESSAVG: 3924200 -29.6619 -17.2633 14.7669 -17.5753 12.2602 -4.51683 14.5927 -2.26159 -0.682609 TIMING: 3924200 CPU: 12725.7, 0.00312053/step Wall: 12725.7, 0.00312053/step, 0.932519 hours remaining, 234.406250 MB of memory in use. ENERGY: 3924200 3911.6701 20363.9011 14521.0726 265.1198 -203062.1039 2241.1877 0.0000 0.0000 52057.4280 -109701.7246 299.1748 -161759.1526 -109344.9031 298.1913 -182.4798 -148.3544 761754.0328 -5.9810 -6.0281 LDB: ============= START OF LOAD BALANCING ============== 12738.1 LDB: ============== END OF LOAD BALANCING =============== 12738.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12738.1 LDB: ============= START OF LOAD BALANCING ============== 12738.4 LDB: Largest compute 7049 load 0.030558 is 15.7% of average load 0.195253 LDB: Average compute 0.004413 is 2.3% of average load 0.195253 LDB: TIME 12738.4 LOAD: AVG 0.195253 MAX 0.214581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12738.4 LOAD: AVG 0.195253 MAX 0.214581 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 12738.4 LOAD: AVG 0.195253 MAX 0.214581 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 12738.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12738.4 PRESSURE: 3924400 144.781 -41.5355 -47.3953 -41.5347 -237.207 -179.663 -47.3955 -179.662 250.303 GPRESSURE: 3924400 96.8284 -99.7662 -8.46437 -36.1046 -79.3618 -167.53 -6.64009 -104.912 213.199 PRESSAVG: 3924400 16.2528 9.24618 -36.331 9.24618 -10.1062 38.5378 -36.331 38.5378 12.0823 GPRESSAVG: 3924400 14.8392 8.7386 -35.9119 9.2584 -8.50713 39.1557 -36.9031 38.7225 11.9753 TIMING: 3924400 CPU: 12726.3, 0.0031762/step Wall: 12726.3, 0.0031762/step, 0.948978 hours remaining, 236.164062 MB of memory in use. ENERGY: 3924400 3972.2686 20543.2142 14469.4744 256.2139 -203522.9213 2610.5696 0.0000 0.0000 51996.4405 -109674.7402 298.8243 -161671.1807 -109330.6401 298.7886 52.6258 76.8885 762212.6184 6.0763 6.1024 PRESSURE: 3924600 69.7646 -142.963 -14.9865 -142.963 196.68 -116.75 -14.9869 -116.749 -49.3173 GPRESSURE: 3924600 61.6559 -141.72 -73.0383 -97.2372 192.059 -167.585 -164.089 -77.516 42.0485 PRESSAVG: 3924600 9.66058 -34.5741 -22.1016 -34.5741 -50.7553 -8.25548 -22.1016 -8.25542 -7.25475 GPRESSAVG: 3924600 8.6886 -33.3714 -22.5332 -34.7196 -50.1293 -10.0958 -22.6787 -8.90653 -6.36782 TIMING: 3924600 CPU: 12726.9, 0.0031178/step Wall: 12726.9, 0.00311781/step, 0.931358 hours remaining, 236.625000 MB of memory in use. ENERGY: 3924600 3981.0129 20424.4528 14405.5475 257.6806 -203097.5148 2441.4328 0.0000 0.0000 51875.7942 -109711.5939 298.1309 -161587.3882 -109346.5338 298.5069 72.3756 98.5876 762271.1261 -16.1165 -15.9362 PRESSURE: 3924800 -91.1306 86.2666 -12.6146 86.2663 -443.741 199.67 -12.6154 199.671 -16.7066 GPRESSURE: 3924800 -159.934 -11.1118 102.307 -16.2052 -308.609 149.273 -6.35041 143.205 -15.6687 PRESSAVG: 3924800 21.9521 -38.6875 33.3803 -38.6875 2.57224 -19.8988 33.3803 -19.8987 -13.67 GPRESSAVG: 3924800 24.142 -39.3105 34.4424 -39.8387 2.23927 -19.0895 34.9437 -19.3749 -15.5556 TIMING: 3924800 CPU: 12727.5, 0.00312054/step Wall: 12727.5, 0.00312054/step, 0.932 hours remaining, 236.875000 MB of memory in use. ENERGY: 3924800 4024.7700 20510.2860 14489.9020 240.3641 -203213.8439 2364.2762 0.0000 0.0000 51939.6068 -109644.6387 298.4976 -161584.2455 -109291.7821 298.1917 -183.8593 -161.4038 762446.2801 3.6181 3.6085 PRESSURE: 3925000 139.741 66.3647 -37.6908 66.3639 -2.14768 -164.298 -37.6917 -164.297 53.6816 GPRESSURE: 3925000 164.239 -71.5468 -97.9417 61.2032 43.3491 -169.88 -131.031 -123.13 54.8081 PRESSAVG: 3925000 -11.1087 -26.4168 26.6421 -26.4167 7.15486 40.9512 26.6421 40.9512 25.8526 GPRESSAVG: 3925000 -12.8217 -28.8528 27.2029 -23.5975 7.25846 40.5878 23.3377 41.4305 27.0015 TIMING: 3925000 CPU: 12728.2, 0.00310509/step Wall: 12728.2, 0.00310509/step, 0.927213 hours remaining, 236.875000 MB of memory in use. ENERGY: 3925000 4011.9104 20489.1028 14499.5857 238.3743 -203609.5209 2896.1879 0.0000 0.0000 51879.2903 -109595.0695 298.1510 -161474.3599 -109237.6257 298.4607 63.7582 87.4653 761349.0913 7.2996 7.1461 PRESSURE: 3925200 -5.90271 6.57525 -417.908 6.57595 77.9121 106.283 -417.909 106.283 476.788 GPRESSURE: 3925200 98.1013 71.3195 -487.032 -86.7589 91.5614 147.999 -326.622 63.4668 432.247 PRESSAVG: 3925200 -5.52385 4.79056 -59.3337 4.79055 17.4104 10.5346 -59.3337 10.5345 7.16424 GPRESSAVG: 3925200 -5.07939 6.81234 -60.5723 4.65229 18.2461 10.0812 -57.7838 9.91407 6.71493 TIMING: 3925200 CPU: 12728.8, 0.00310424/step Wall: 12728.8, 0.00310424/step, 0.92679 hours remaining, 236.875000 MB of memory in use. ENERGY: 3925200 3970.8082 20429.2566 14451.3314 263.7480 -203812.6657 2866.4881 0.0000 0.0000 52047.2710 -109783.7625 299.1164 -161831.0334 -109428.8149 298.3774 182.9325 207.3033 761455.5770 6.3503 6.6272 PRESSURE: 3925400 -13.2653 -120.527 141.586 -120.528 208.204 -210.422 141.586 -210.422 77.3945 GPRESSURE: 3925400 -41.1451 -116.562 133.646 -52.0456 210.906 -261.404 44.4394 -159.41 167.356 PRESSAVG: 3925400 -39.9568 -29.4932 -15.8587 -29.4932 28.065 8.1083 -15.8587 8.10829 5.46799 GPRESSAVG: 3925400 -39.0627 -28.8576 -16.6454 -30.0628 27.5067 11.0706 -13.3511 6.5761 4.97032 TIMING: 3925400 CPU: 12729.4, 0.00311886/step Wall: 12729.4, 0.00311886/step, 0.930981 hours remaining, 236.875000 MB of memory in use. ENERGY: 3925400 4131.0973 20532.2302 14423.6449 245.6569 -203382.1830 2663.5919 0.0000 0.0000 51739.5724 -109646.3894 297.3480 -161385.9618 -109298.4324 298.3925 90.7777 112.3725 760489.2359 -2.1413 -2.1952 PRESSURE: 3925600 -37.8279 -118.581 29.869 -118.581 -84.4713 -249.444 29.8689 -249.445 23.9385 GPRESSURE: 3925600 -3.55907 -126.174 -12.7916 -17.3147 -47.7468 -237.367 17.3018 -218.459 6.56315 PRESSAVG: 3925600 -47.3401 -17.7469 10.293 -17.7469 4.56472 -16.9544 10.2929 -16.9544 -28.4082 GPRESSAVG: 3925600 -48.2271 -18.3877 10.7682 -18.5268 5.00899 -17.5596 4.82938 -14.505 -28.2221 TIMING: 3925600 CPU: 12730, 0.00310837/step Wall: 12730, 0.00310837/step, 0.927676 hours remaining, 236.875000 MB of memory in use. ENERGY: 3925600 3988.9067 20666.3840 14468.6987 253.2484 -203486.9635 2607.9725 0.0000 0.0000 51949.2336 -109552.5196 298.5530 -161501.7532 -109194.8367 298.8412 -32.7869 -14.9143 760217.8785 -23.7279 -23.8134 PRESSURE: 3925800 -119.07 -9.85513 122.533 -9.85483 5.05203 -112.006 122.534 -112.005 308.448 GPRESSURE: 3925800 -40.9909 1.62901 88.8128 -11.231 89.0272 -111.409 75.3951 -109.314 213.829 PRESSAVG: 3925800 46.2805 -16.7749 -36.3009 -16.7749 6.60289 2.60193 -36.3009 2.60189 7.76119 GPRESSAVG: 3925800 46.9337 -17.192 -36.7181 -15.3812 5.14328 2.72918 -33.7522 0.930072 8.50181 TIMING: 3925800 CPU: 12730.7, 0.00312519/step Wall: 12730.7, 0.00312519/step, 0.932521 hours remaining, 236.875000 MB of memory in use. ENERGY: 3925800 3987.8145 20567.0707 14474.3203 243.5933 -203491.9537 2736.0081 0.0000 0.0000 51911.1260 -109572.0209 298.3340 -161483.1469 -109213.1183 299.0413 64.8099 87.2883 761220.9242 20.2149 20.1929 PRESSURE: 3926000 42.6282 122.152 15.5944 122.153 -271.23 290.583 15.5945 290.582 170.017 GPRESSURE: 3926000 80.2047 89.0139 39.1387 118.99 -224.937 161.7 55.1209 267.01 191.875 PRESSAVG: 3926000 14.6072 -23.0242 48.8154 -23.0243 -25.2011 -1.32353 48.8154 -1.32346 12.1678 GPRESSAVG: 3926000 14.6026 -23.9775 50.1102 -22.6439 -26.51 -1.54906 51.0998 -3.59589 13.8832 TIMING: 3926000 CPU: 12731.3, 0.00309532/step Wall: 12731.3, 0.00309532/step, 0.923437 hours remaining, 236.875000 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: 3926000 4059.1700 20492.1500 14491.3835 232.6455 -203320.2897 2488.4135 0.0000 0.0000 52082.3155 -109474.2117 299.3178 -161556.5272 -109114.6189 298.6713 -19.5280 15.7143 762000.1624 0.5246 0.6586 PRESSURE: 3926200 -278.786 -115.271 57.0693 -115.271 -114.237 -378.638 57.0693 -378.639 53.6413 GPRESSURE: 3926200 -269.823 -205.898 -46.2736 -101.039 -55.8775 -385.05 -80.3277 -402.69 81.3841 PRESSAVG: 3926200 35.5453 -43.5021 8.23986 -43.5022 21.2826 7.75845 8.23981 7.75847 -27.6737 GPRESSAVG: 3926200 35.4788 -42.1738 6.39134 -44.7393 23.475 7.0538 7.86114 10.2728 -30.0656 TIMING: 3926200 CPU: 12731.9, 0.00311762/step Wall: 12731.9, 0.00311762/step, 0.929918 hours remaining, 236.875000 MB of memory in use. ENERGY: 3926200 3947.4540 20461.9915 14462.5038 234.5708 -203340.5968 2597.8608 0.0000 0.0000 52269.1635 -109367.0525 300.3916 -161636.2160 -109007.8172 299.1134 -113.1271 -81.4389 760923.3998 9.7181 9.6294 PRESSURE: 3926400 -124.404 295.936 -133.006 295.937 37.4265 -47.5669 -133.005 -47.5657 -378.523 GPRESSURE: 3926400 -111.581 344.917 -92.7463 233.173 9.12918 -146.787 6.40398 -115.454 -283.427 PRESSAVG: 3926400 -54.9768 -1.59055 8.96686 -1.59055 3.25552 -80.125 8.9668 -80.125 1.55357 GPRESSAVG: 3926400 -54.1442 -1.19204 10.8294 -2.16519 1.97855 -79.3363 8.40926 -79.8794 2.29945 TIMING: 3926400 CPU: 12732.5, 0.00312416/step Wall: 12732.5, 0.00312416/step, 0.931695 hours remaining, 236.875000 MB of memory in use. ENERGY: 3926400 4021.4859 20541.9242 14482.0165 240.9866 -203058.2658 2398.5180 0.0000 0.0000 51940.1617 -109433.1728 298.5008 -161373.3346 -109069.1787 299.6188 -155.1669 -128.6262 760955.3046 -16.7226 -16.6221 PRESSURE: 3926600 329.808 106.498 52.1519 106.498 -2.21982 -202.439 52.1511 -202.44 -20.5466 GPRESSURE: 3926600 272.612 79.8235 86.2132 151.921 115.096 -157.584 -86.953 -109.069 -4.72539 PRESSAVG: 3926600 -18.9413 -2.9248 53.3329 -2.92477 28.754 -88.3933 53.3329 -88.3933 2.40493 GPRESSAVG: 3926600 -19.7696 -4.29145 53.4167 -1.98369 29.5787 -88.9219 52.6963 -89.1535 2.04717 TIMING: 3926600 CPU: 12733.1, 0.00310848/step Wall: 12733.1, 0.00310848/step, 0.926846 hours remaining, 236.875000 MB of memory in use. ENERGY: 3926600 3966.6869 20410.9087 14480.2498 260.6865 -203628.7055 2765.6389 0.0000 0.0000 52119.9899 -109624.5447 299.5343 -161744.5346 -109258.5765 298.9499 102.3471 127.6610 760823.9252 4.0726 3.9521 PRESSURE: 3926800 1.89932 -57.1939 110.189 -57.1932 203.039 -152.16 110.189 -152.16 -234.36 GPRESSURE: 3926800 131.735 -53.5548 196.328 -46.922 140.701 -188.508 108.889 -104.324 -225.163 PRESSAVG: 3926800 19.8283 16.2369 43.7821 16.2369 -26.3259 -61.0444 43.7821 -61.0445 0.288753 GPRESSAVG: 3926800 19.9219 16.8389 43.0859 17.1517 -27.1939 -60.8437 43.5804 -59.7761 0.882183 TIMING: 3926800 CPU: 12733.8, 0.00311743/step Wall: 12733.8, 0.00311743/step, 0.92934 hours remaining, 236.875000 MB of memory in use. ENERGY: 3926800 3987.4379 20477.9804 14427.6043 267.3469 -203131.6094 2392.7692 0.0000 0.0000 52031.9300 -109546.5406 299.0282 -161578.4706 -109185.9452 298.6883 -9.8074 15.7574 761018.8134 -2.0696 -2.1299 PRESSURE: 3927000 120.99 92.9332 71.7142 92.9342 -183.836 -120.03 71.7145 -120.031 -47.8017 GPRESSURE: 3927000 75.0694 59.0011 74.3034 7.21716 -112.969 -122.273 -4.87679 2.67557 15.2337 PRESSAVG: 3927000 49.0536 -6.4435 19.8039 -6.44351 -25.2964 -58.4686 19.8039 -58.4686 20.1028 GPRESSAVG: 3927000 48.5279 -4.99065 19.5078 -7.20341 -25.4619 -57.6947 20.0367 -60.6335 21.4103 TIMING: 3927000 CPU: 12734.4, 0.00311758/step Wall: 12734.4, 0.00311758/step, 0.929213 hours remaining, 236.875000 MB of memory in use. ENERGY: 3927000 3942.8801 20566.2130 14347.6317 238.4377 -203146.0937 2483.5274 0.0000 0.0000 51854.5438 -109712.8600 298.0088 -161567.4038 -109353.7046 298.2538 -36.8823 -7.5551 763614.6743 14.6200 14.8254 PRESSURE: 3927200 251.451 -178.397 -146.7 -178.397 -183.571 213.519 -146.701 213.519 -2.30854 GPRESSURE: 3927200 174.292 -62.5841 -172.794 -44.2261 -63.4991 269.54 -144.255 167.5 56.1931 PRESSAVG: 3927200 -4.28635 3.11145 2.5286 3.11144 -18.0484 -57.4579 2.52861 -57.4579 -24.6185 GPRESSAVG: 3927200 -3.14296 3.42859 0.544468 3.39184 -18.0016 -57.8122 1.57581 -55.7259 -25.8087 TIMING: 3927200 CPU: 12735, 0.00311428/step Wall: 12735, 0.00311428/step, 0.928056 hours remaining, 236.875000 MB of memory in use. ENERGY: 3927200 3967.9265 20488.5530 14472.9667 249.3932 -203654.3077 2750.6573 0.0000 0.0000 52036.7808 -109688.0302 299.0561 -161724.8110 -109318.5749 298.6998 21.8573 55.6620 762655.6234 -15.6511 -15.6511 PRESSURE: 3927400 11.9856 -252.913 21.1214 -252.913 80.5287 134.234 21.1212 134.234 105.023 GPRESSURE: 3927400 67.2972 -119.741 55.3454 -298.215 75.1353 178.77 -74.9239 99.9979 156.806 PRESSAVG: 3927400 47.8071 -32.5335 -41.849 -32.5335 -33.2968 12.3035 -41.849 12.3034 -2.18626 GPRESSAVG: 3927400 48.3275 -33.6569 -39.4363 -31.1551 -33.1074 12.5006 -39.6262 11.4189 -2.20375 TIMING: 3927400 CPU: 12735.6, 0.00311967/step Wall: 12735.6, 0.00311967/step, 0.929488 hours remaining, 236.875000 MB of memory in use. ENERGY: 3927400 4095.9995 20572.7448 14386.1456 245.9538 -203832.9012 3015.3365 0.0000 0.0000 52127.4353 -109389.2858 299.5771 -161516.7211 -109032.0375 299.3072 65.8457 99.7462 762650.3185 4.1080 4.3388 PRESSURE: 3927600 -85.6965 62.4584 197.024 62.4579 -127.831 99.1059 197.025 99.1051 -346.914 GPRESSURE: 3927600 -16.4547 75.1996 354.736 69.5662 -144.422 157.453 90.0135 105.684 -318.237 PRESSAVG: 3927600 23.7785 -37.2022 34.4349 -37.2021 -8.03312 24.2034 34.435 24.2034 1.43352 GPRESSAVG: 3927600 25.1221 -37.5283 33.8893 -39.0876 -8.74997 24.2638 33.1955 24.312 1.67733 TIMING: 3927600 CPU: 12736.3, 0.00312153/step Wall: 12736.3, 0.00312153/step, 0.92987 hours remaining, 236.875000 MB of memory in use. ENERGY: 3927600 4039.4001 20477.9408 14388.6708 255.1379 -203138.8846 2319.1188 0.0000 0.0000 52092.7453 -109565.8709 299.3777 -161658.6162 -109205.4618 299.2609 -186.8139 -159.7046 761228.5516 5.7263 6.0165 PRESSURE: 3927800 -100.767 -23.888 109.517 -23.888 -241.089 -199.651 109.516 -199.65 187.166 GPRESSURE: 3927800 -37.0848 -13.5167 186.504 -76.0933 -273.184 -165.226 116.907 -127.452 245.129 PRESSAVG: 3927800 55.3882 -18.3826 -0.191585 -18.3826 -47.0447 -42.8 -0.191584 -42.8 15.8774 GPRESSAVG: 3927800 54.0957 -19.3033 -2.25769 -18.0279 -46.2175 -41.9636 1.63984 -41.7901 16.6181 TIMING: 3927800 CPU: 12736.9, 0.00311937/step Wall: 12736.9, 0.00311937/step, 0.929052 hours remaining, 236.875000 MB of memory in use. ENERGY: 3927800 4028.8366 20459.9535 14425.6442 264.9320 -203746.9669 2879.2241 0.0000 0.0000 52233.2147 -109455.1618 300.1850 -161688.3765 -109094.3171 299.3241 -51.5636 -21.7132 761530.3096 8.0736 8.1654 PRESSURE: 3928000 -248.07 -200.843 -166.607 -200.843 92.6476 -144.632 -166.608 -144.631 -41.4491 GPRESSURE: 3928000 -243.875 -154.973 -58.3047 -181.319 160.307 -216.073 -207.697 -114.873 -25.7306 PRESSAVG: 3928000 -62.2717 -25.547 -14.994 -25.5469 36.294 -39.8594 -14.994 -39.8594 -30.128 GPRESSAVG: 3928000 -62.7817 -24.6582 -11.9079 -25.5916 36.7244 -41.5588 -18.1699 -41.6487 -30.4292 TIMING: 3928000 CPU: 12737.5, 0.00312509/step Wall: 12737.5, 0.00312509/step, 0.930583 hours remaining, 236.875000 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: 3928000 3924.6028 20526.8629 14424.7319 238.5933 -202967.4935 2427.1264 0.0000 0.0000 51959.6719 -109465.9043 298.6129 -161425.5762 -109112.3736 299.4458 -65.6237 -36.4329 762165.4163 -18.7019 -18.8288 PRESSURE: 3928200 20.3462 33.6007 25.9692 33.601 -312.653 -118.583 25.9696 -118.583 -14.6966 GPRESSURE: 3928200 63.5203 -10.7544 60.0254 -13.2984 -168.423 -97.2578 33.0569 -100.514 -114.848 PRESSAVG: 3928200 3.3136 24.1442 3.99074 24.1442 16.6825 -77.5851 3.99078 -77.585 -6.08572 GPRESSAVG: 3928200 4.14731 25.8105 3.59136 23.919 16.126 -76.3918 6.78289 -77.0535 -6.05407 TIMING: 3928200 CPU: 12738.1, 0.00312614/step Wall: 12738.1, 0.00312614/step, 0.930722 hours remaining, 236.875000 MB of memory in use. ENERGY: 3928200 3983.6419 20573.5876 14449.1056 254.6701 -203837.2493 2978.8293 0.0000 0.0000 52242.4961 -109354.9188 300.2383 -161597.4149 -108995.9862 299.7846 -102.3344 -73.2503 762180.4165 4.6368 4.7397 LDB: ============= START OF LOAD BALANCING ============== 12750.5 LDB: ============== END OF LOAD BALANCING =============== 12750.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12750.6 LDB: ============= START OF LOAD BALANCING ============== 12750.9 LDB: Largest compute 7033 load 0.032109 is 16.4% of average load 0.195544 LDB: Average compute 0.004378 is 2.2% of average load 0.195544 LDB: TIME 12750.9 LOAD: AVG 0.195544 MAX 0.216416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 12750.9 LOAD: AVG 0.195544 MAX 0.216416 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 12750.9 LOAD: AVG 0.195544 MAX 0.216416 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 12750.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12750.9 PRESSURE: 3928400 -278.296 19.4495 -36.8536 19.4496 19.2763 2.82518 -36.8535 2.82666 -246.68 GPRESSURE: 3928400 -246.036 58.6596 -76.4664 39.259 43.1705 -47.1799 -32.7779 118.974 -212.409 PRESSAVG: 3928400 -20.936 -8.14208 18.0113 -8.14212 3.21349 5.50148 18.0113 5.50148 7.94564 GPRESSAVG: 3928400 -20.5606 -7.70275 17.4276 -7.13264 3.63595 4.63753 15.8081 4.82173 6.91906 TIMING: 3928400 CPU: 12738.8, 0.00318214/step Wall: 12738.8, 0.00318214/step, 0.947218 hours remaining, 235.835938 MB of memory in use. ENERGY: 3928400 4060.7662 20587.7205 14394.5062 256.3156 -203383.1770 2717.6646 0.0000 0.0000 52010.5965 -109355.6073 298.9056 -161366.2038 -109001.6933 299.9019 -168.5665 -138.4248 763667.2601 -3.2590 -3.3352 PRESSURE: 3928600 -241.994 73.5449 -141.179 73.545 -190.934 -67.6842 -141.18 -67.6844 208.561 GPRESSURE: 3928600 -90.3682 112.853 -202.788 16.1776 -277.401 0.902441 -188.973 -29.6231 211.27 PRESSAVG: 3928600 13.6721 37.1878 9.22283 37.1878 32.7848 -21.0398 9.2229 -21.0398 20.74 GPRESSAVG: 3928600 13.1851 35.8933 8.4581 38.0082 32.2327 -19.8459 9.99426 -21.9533 22.1284 TIMING: 3928600 CPU: 12739.4, 0.00311537/step Wall: 12739.4, 0.00311537/step, 0.92717 hours remaining, 236.058594 MB of memory in use. ENERGY: 3928600 4073.6099 20455.8358 14412.9679 240.3237 -203408.7105 2459.6760 0.0000 0.0000 52352.6016 -109413.6957 300.8711 -161766.2973 -109049.7039 299.8033 -74.7889 -52.1662 760724.4348 22.3990 22.5154 PRESSURE: 3928800 88.6983 -230.035 -150.251 -230.035 11.2472 93.2791 -150.25 93.2782 346.624 GPRESSURE: 3928800 108.112 -137.694 -123.874 -127.729 73.0198 38.536 -147.228 -4.47531 358.309 PRESSAVG: 3928800 13.6257 36.5101 21.7978 36.5101 -17.9231 11.0506 21.7978 11.0505 7.16029 GPRESSAVG: 3928800 13.2218 37.0238 20.3979 36.6404 -17.006 8.83523 22.357 11.677 6.84466 TIMING: 3928800 CPU: 12740, 0.0031299/step Wall: 12740, 0.0031299/step, 0.93132 hours remaining, 236.269531 MB of memory in use. ENERGY: 3928800 3924.4424 20475.7348 14408.3541 242.7412 -203580.1126 2811.0222 0.0000 0.0000 52227.3640 -109490.4537 300.1514 -161717.8178 -109116.5952 299.7820 148.8564 179.8137 760237.7739 0.9543 1.0202 PRESSURE: 3929000 157.637 76.4229 -112.054 76.4231 -47.1921 262.291 -112.054 262.291 -111.254 GPRESSURE: 3929000 229.082 -62.0961 -10.1144 27.1374 -75.1394 275.697 -135.66 220.35 -89.3522 PRESSAVG: 3929000 -39.3577 -17.2193 -19.1763 -17.2192 -6.93821 -7.40103 -19.1763 -7.40108 6.10431 GPRESSAVG: 3929000 -38.7729 -18.1404 -17.1954 -17.9568 -6.98443 -6.03647 -19.1352 -6.10447 5.78273 TIMING: 3929000 CPU: 12740.6, 0.0031383/step Wall: 12740.6, 0.0031383/step, 0.933643 hours remaining, 236.269531 MB of memory in use. ENERGY: 3929000 4007.5453 20463.1038 14462.8649 252.6155 -203040.8932 2247.9047 0.0000 0.0000 52148.6803 -109458.1789 299.6992 -161606.8592 -109085.2782 299.1989 -0.2697 21.5302 761818.7805 -13.3972 -13.3249 PRESSURE: 3929200 -189.785 322.882 43.7716 322.883 25.7578 -166.797 43.7726 -166.796 -95.9724 GPRESSURE: 3929200 -188.641 363.075 86.2477 390.133 86.5289 -99.8918 -41.7181 5.10038 -68.4049 PRESSAVG: 3929200 23.7451 -10.279 -45.7719 -10.2791 2.28095 -22.7257 -45.772 -22.7257 -1.38114 GPRESSAVG: 3929200 23.6697 -7.16386 -46.1399 -10.9769 2.78485 -22.1412 -46.6775 -22.9925 -1.5539 TIMING: 3929200 CPU: 12741.3, 0.003132/step Wall: 12741.3, 0.003132/step, 0.931596 hours remaining, 236.269531 MB of memory in use. ENERGY: 3929200 3979.1227 20543.7296 14478.8989 240.2331 -203261.2095 2710.3789 0.0000 0.0000 51951.3071 -109357.5393 298.5649 -161308.8463 -108999.7536 299.6337 -86.6665 -56.8391 763019.7354 8.2150 8.3002 PRESSURE: 3929400 -96.9023 -32.0968 103.398 -32.0966 -43.5981 240.786 103.398 240.786 -219.345 GPRESSURE: 3929400 -69.4628 -16.2301 83.2899 -90.19 -30.9483 131.181 190.813 53.5707 -156.251 PRESSAVG: 3929400 -30.9366 9.88986 1.85186 9.88977 25.9939 -3.86754 1.85186 -3.86757 -24.9979 GPRESSAVG: 3929400 -29.4348 8.51893 1.77643 11.3766 26.0495 -5.41315 2.0299 -3.67171 -26.1985 TIMING: 3929400 CPU: 12741.9, 0.00314751/step Wall: 12741.9, 0.00314751/step, 0.936034 hours remaining, 236.269531 MB of memory in use. ENERGY: 3929400 4019.3182 20337.3416 14514.6889 250.5443 -202794.8952 2338.2544 0.0000 0.0000 51943.8077 -109390.9401 298.5218 -161334.7478 -109029.0243 299.2404 -119.9486 -85.5541 762589.2043 -9.9802 -9.8613 PRESSURE: 3929600 63.0562 -35.6787 -349.378 -35.6788 -302.892 -131.232 -349.378 -131.232 74.8802 GPRESSURE: 3929600 74.4914 13.9376 -295.46 -28.885 -336.926 -154.387 -297.77 -129.458 168.361 PRESSAVG: 3929600 22.4981 38.4877 -47.7451 38.4877 -29.2754 -27.2322 -47.7451 -27.2322 -22.351 GPRESSAVG: 3929600 20.7343 38.4031 -47.177 38.1136 -29.5136 -27.2844 -47.1052 -26.831 -20.606 TIMING: 3929600 CPU: 12742.5, 0.00313088/step Wall: 12742.5, 0.00313088/step, 0.930914 hours remaining, 236.269531 MB of memory in use. ENERGY: 3929600 4074.8501 20750.2073 14486.5913 247.0474 -203077.7787 2365.9501 0.0000 0.0000 51901.2668 -109251.8657 298.2773 -161153.1326 -108902.2786 299.4933 -54.9851 -31.3577 761544.9824 -9.7094 -9.7951 PRESSURE: 3929800 -62.5823 92.0428 69.6587 92.0434 15.2965 66.7163 69.6585 66.7165 281.237 GPRESSURE: 3929800 45.4255 -69.7104 -7.42671 161.187 18.5636 32.9828 133.271 55.9895 249.194 PRESSAVG: 3929800 15.6193 -24.639 79.0031 -24.639 -43.013 63.8858 79.0031 63.8858 2.08173 GPRESSAVG: 3929800 15.3146 -24.4558 78.1898 -25.3407 -42.606 65.9455 79.9528 62.5703 2.13814 TIMING: 3929800 CPU: 12743.2, 0.00314744/step Wall: 12743.2, 0.00314744/step, 0.935664 hours remaining, 236.269531 MB of memory in use. ENERGY: 3929800 3938.0300 20664.6775 14464.2289 260.5225 -203142.1537 2639.9414 0.0000 0.0000 51904.2055 -109270.5479 298.2942 -161174.7534 -108916.8380 299.3447 77.9836 104.3943 761439.6847 -8.4373 -8.3844 PRESSURE: 3930000 453.21 -83.3014 -142.129 -83.3008 134.077 62.8803 -142.13 62.8793 -109.245 GPRESSURE: 3930000 433.641 -118.157 -143.547 -165.019 217.395 126.056 -129.052 26.9696 -88.4689 PRESSAVG: 3930000 10.1307 -58.1971 31.2688 -58.1972 35.5062 11.1797 31.2688 11.1796 4.7625 GPRESSAVG: 3930000 10.7835 -57.5555 32.5953 -58.3618 36.3853 9.18573 29.8071 12.1959 3.35307 TIMING: 3930000 CPU: 12743.8, 0.00313168/step Wall: 12743.8, 0.00313168/step, 0.930805 hours remaining, 236.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3930000 3950.1355 20731.5441 14394.1433 248.3574 -203542.8024 2812.2492 0.0000 0.0000 52008.6690 -109397.7040 298.8945 -161406.3730 -109047.6260 299.6583 159.3475 187.5225 761228.3784 16.7998 16.8406 PRESSURE: 3930200 -37.4169 86.4535 237.841 86.4521 85.8204 -123.465 237.841 -123.465 189.066 GPRESSURE: 3930200 -45.7306 78.0766 233.286 -10.8797 158.094 -123.729 271.865 34.9962 206.368 PRESSAVG: 3930200 -23.9157 0.0111733 0.853218 0.0112022 43.4797 -20.2098 0.853239 -20.2098 -7.25787 GPRESSAVG: 3930200 -25.3147 -1.51712 -1.39609 -0.327854 43.6585 -18.5229 -0.735004 -20.7649 -6.08504 TIMING: 3930200 CPU: 12744.4, 0.00315737/step Wall: 12744.4, 0.00315737/step, 0.938266 hours remaining, 236.269531 MB of memory in use. ENERGY: 3930200 4009.1220 20425.6878 14477.7071 248.5132 -203806.1611 2917.0647 0.0000 0.0000 52013.0849 -109714.9814 298.9199 -161728.0663 -109348.7289 299.0259 79.1564 106.2440 762166.6205 4.1020 4.0863 PRESSURE: 3930400 -81.5092 -434.559 -78.7809 -434.558 113.96 -107.098 -78.7816 -107.096 -9.62199 GPRESSURE: 3930400 19.6802 -426.078 -26.9284 -320.016 81.2968 -106.142 -174.873 -34.23 19.7488 PRESSAVG: 3930400 -15.1343 5.02638 -40.3104 5.02645 17.4995 5.54693 -40.3104 5.54697 -5.5553 GPRESSAVG: 3930400 -14.6957 5.89787 -39.7214 4.73949 16.6476 4.90251 -38.024 7.39387 -5.4507 TIMING: 3930400 CPU: 12745, 0.00315291/step Wall: 12745, 0.00315291/step, 0.936764 hours remaining, 236.269531 MB of memory in use. ENERGY: 3930400 3967.7753 20397.6768 14399.5889 253.5568 -203537.2299 2693.0365 0.0000 0.0000 51991.1043 -109834.4914 298.7936 -161825.5956 -109464.2205 298.3933 7.6096 40.2419 760945.5578 -1.0634 -1.1663 PRESSURE: 3930600 -214.426 181.82 -85.241 181.82 -37.6392 -8.2637 -85.2412 -8.26346 79.9311 GPRESSURE: 3930600 -190.759 244.481 -148.034 37.0233 112.6 63.0216 -110.291 4.00065 14.5017 PRESSAVG: 3930600 54.3999 32.2805 -31.258 32.2805 27.2916 42.1792 -31.258 42.1791 11.0781 GPRESSAVG: 3930600 55.6099 33.9292 -30.5459 31.477 26.7394 40.6862 -31.6253 41.2555 10.619 TIMING: 3930600 CPU: 12745.7, 0.00314451/step Wall: 12745.7, 0.00314451/step, 0.934095 hours remaining, 236.269531 MB of memory in use. ENERGY: 3930600 4015.4688 20267.7014 14418.2627 261.7123 -203599.1120 2651.6407 0.0000 0.0000 52248.2943 -109736.0319 300.2717 -161984.3261 -109368.6953 298.8878 -57.3782 -21.2192 760718.4669 30.9232 30.9894 PRESSURE: 3930800 165.901 112.085 70.7527 112.085 -18.9538 178.04 70.7524 178.04 98.6367 GPRESSURE: 3930800 227.837 119.352 142.541 3.20718 -42.5372 110.438 54.9058 73.7317 147.836 PRESSAVG: 3930800 18.4649 -38.4778 17.5674 -38.4778 12.953 -6.69889 17.5673 -6.69896 -7.64915 GPRESSAVG: 3930800 17.0916 -38.6648 18.0591 -36.5724 13.3096 -5.13662 18.1456 -7.46457 -7.14332 TIMING: 3930800 CPU: 12746.3, 0.00315942/step Wall: 12746.3, 0.00315942/step, 0.938347 hours remaining, 236.285156 MB of memory in use. ENERGY: 3930800 4041.9117 20575.4618 14445.3265 244.4117 -203776.0555 2771.5097 0.0000 0.0000 51893.5472 -109803.8869 298.2329 -161697.4341 -109442.6903 298.5087 81.8611 111.0450 760538.4572 7.9229 7.7526 PRESSURE: 3931000 -66.6439 220.55 226.999 220.551 -27.0948 -33.6642 226.999 -33.6654 -192.304 GPRESSURE: 3931000 0.270922 197.806 198.604 191.668 -66.6554 -33.3919 108.791 -88.0998 -111.949 PRESSAVG: 3931000 -13.716 -1.77182 49.4896 -1.7718 4.74453 18.766 49.4896 18.766 4.53086 GPRESSAVG: 3931000 -13.8668 -3.87498 49.3571 -3.77156 4.56147 18.3827 47.1806 19.0965 4.64173 TIMING: 3931000 CPU: 12746.9, 0.00314223/step Wall: 12746.9, 0.00314223/step, 0.933069 hours remaining, 236.285156 MB of memory in use. ENERGY: 3931000 4042.9866 20368.4457 14363.0795 239.2834 -203424.2112 2498.2333 0.0000 0.0000 52057.6003 -109854.5824 299.1757 -161912.1827 -109491.5164 298.9693 -95.3477 -59.4446 761027.7300 -1.4802 -1.5545 PRESSURE: 3931200 -9.21908 -190.839 -131.365 -190.839 -47.8581 29.0887 -131.365 29.0876 357.14 GPRESSURE: 3931200 15.8429 -185.573 -228.878 -108.615 4.07563 -8.3028 -103.547 68.8343 359.766 PRESSAVG: 3931200 -17.2258 -18.4282 12.8711 -18.4282 16.3832 14.0748 12.8711 14.0749 -0.745123 GPRESSAVG: 3931200 -15.309 -17.2792 11.137 -15.6249 15.0018 12.9205 14.6068 14.9576 -1.27729 TIMING: 3931200 CPU: 12747.6, 0.00313716/step Wall: 12747.6, 0.00313716/step, 0.931388 hours remaining, 236.285156 MB of memory in use. ENERGY: 3931200 3964.7749 20456.2248 14424.3101 230.6589 -203095.2263 2394.8301 0.0000 0.0000 51962.4373 -109661.9902 298.6288 -161624.4275 -109303.6132 298.4590 100.0209 126.5616 761415.9154 -0.5292 -0.5282 PRESSURE: 3931400 126.841 64.2357 -61.6238 64.236 28.755 133.853 -61.6235 133.853 99.259 GPRESSURE: 3931400 82.4284 118.969 -68.461 72.5467 76.6028 184.711 -6.52804 234.083 192.592 PRESSAVG: 3931400 17.4341 -63.7457 7.2239 -63.7457 13.2155 39.1741 7.22395 39.1741 7.46232 GPRESSAVG: 3931400 16.7472 -65.4568 8.25591 -64.3722 13.4733 40.0639 8.49487 38.1824 8.44497 TIMING: 3931400 CPU: 12748.2, 0.00313179/step Wall: 12748.2, 0.00313179/step, 0.929621 hours remaining, 236.285156 MB of memory in use. ENERGY: 3931400 3876.9453 20608.1591 14501.1154 242.9159 -203474.7054 2596.9872 0.0000 0.0000 52010.2201 -109638.3624 298.9034 -161648.5825 -109276.9900 298.9062 84.9517 117.2077 760133.8184 12.7040 12.8885 PRESSURE: 3931600 -205.439 -189.232 167.766 -189.233 -79.0179 116.127 167.766 116.126 231.011 GPRESSURE: 3931600 -124.465 -164.335 113.689 -213.044 7.97319 153.641 96.3245 84.0736 153.587 PRESSAVG: 3931600 35.434 -2.42859 -24.993 -2.42862 -17.5928 26.7093 -24.993 26.7092 -7.12888 GPRESSAVG: 3931600 36.0268 -2.82751 -25.7836 -1.55109 -16.6595 25.8675 -25.5544 27.4784 -8.66581 TIMING: 3931600 CPU: 12748.8, 0.0031226/step Wall: 12748.8, 0.0031226/step, 0.926718 hours remaining, 236.285156 MB of memory in use. ENERGY: 3931600 3948.0814 20577.0779 14491.0519 247.1561 -203359.6539 2455.2164 0.0000 0.0000 51849.6659 -109791.4042 297.9807 -161641.0702 -109430.3284 298.9334 -17.8156 12.3651 761316.5181 3.5708 3.5672 PRESSURE: 3931800 -22.4478 -53.8296 28.1728 -53.8297 34.9377 -265.978 28.1725 -265.979 -454.843 GPRESSURE: 3931800 -45.1259 -79.3797 -7.34491 -25.5519 154.883 -224.727 48.71 -158.586 -454.544 PRESSAVG: 3931800 33.2765 11.1192 0.479136 11.1192 21.0417 36.1502 0.479181 36.1503 8.22386 GPRESSAVG: 3931800 32.5838 11.6377 1.64182 9.76571 20.2555 36.0008 0.0783626 35.404 9.05494 TIMING: 3931800 CPU: 12749.4, 0.00312291/step Wall: 12749.4, 0.00312291/step, 0.926637 hours remaining, 236.285156 MB of memory in use. ENERGY: 3931800 4009.5479 20514.9148 14413.3256 244.2863 -203582.6132 2544.9330 0.0000 0.0000 52132.0802 -109723.5253 299.6038 -161855.6055 -109361.5375 298.8755 -147.4512 -114.9287 760425.4770 20.8473 20.6314 PRESSURE: 3932000 13.3713 165.514 49.5207 165.514 82.1801 -55.0972 49.5199 -55.0977 -1.42885 GPRESSURE: 3932000 54.2237 155.213 -27.8829 117.258 105.426 -50.538 -39.8324 -62.3181 16.6622 PRESSAVG: 3932000 -26.6541 -9.04912 -58.2785 -9.04921 18.5567 -3.16946 -58.2785 -3.16942 -3.91432 GPRESSAVG: 3932000 -27.4792 -8.03716 -58.5452 -9.07776 19.3815 -3.53656 -60.6198 -1.09449 -4.18098 TIMING: 3932000 CPU: 12750.1, 0.00311444/step Wall: 12750.1, 0.00311444/step, 0.923949 hours remaining, 236.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3932000 4036.3483 20506.6973 14439.2190 230.6300 -203065.9865 2559.2571 0.0000 0.0000 51571.3524 -109722.4823 296.3813 -161293.8347 -109366.4405 298.8515 31.3742 58.7705 761907.4575 -4.0039 -4.0929 PRESSURE: 3932200 -3.87501 306.726 16.5411 306.726 -405.9 -90.2449 16.5422 -90.2449 -117.954 GPRESSURE: 3932200 -21.4775 167.469 49.2073 217.423 -300.778 -58.9946 88.3932 -98.977 -107.205 PRESSAVG: 3932200 -21.3701 0.772981 -58.5274 0.772953 47.3405 28.1151 -58.5274 28.1152 -10.9749 GPRESSAVG: 3932200 -19.6652 -0.384635 -58.5092 0.750642 45.642 29.6493 -57.377 27.2866 -10.9075 TIMING: 3932200 CPU: 12750.7, 0.00315406/step Wall: 12750.7, 0.00315406/step, 0.93553 hours remaining, 236.285156 MB of memory in use. ENERGY: 3932200 4084.0443 20541.5346 14443.3552 227.5853 -203395.5364 2435.1234 0.0000 0.0000 51960.1358 -109703.7577 298.6156 -161663.8935 -109342.2988 298.4493 -175.9097 -143.1538 760421.5726 4.9985 5.0231 LDB: ============= START OF LOAD BALANCING ============== 12763.1 LDB: ============== END OF LOAD BALANCING =============== 12763.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12763.1 LDB: ============= START OF LOAD BALANCING ============== 12763.4 LDB: Largest compute 7049 load 0.032876 is 16.8% of average load 0.195468 LDB: Average compute 0.004393 is 2.2% of average load 0.195468 LDB: TIME 12763.4 LOAD: AVG 0.195468 MAX 0.21446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 12763.4 LOAD: AVG 0.195468 MAX 0.21446 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: TIME 12763.4 LOAD: AVG 0.195468 MAX 0.21446 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: ============== END OF LOAD BALANCING =============== 12763.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12763.4 PRESSURE: 3932400 -207.083 -111.576 -315.907 -111.576 -196.883 93.091 -315.907 93.0911 191.263 GPRESSURE: 3932400 -213.223 -104.797 -158.471 -117.972 -129.587 -49.3685 -248.035 89.6292 201.035 PRESSAVG: 3932400 -48.0083 47.7551 -10.7721 47.7551 13.6269 10.9486 -10.7722 10.9486 -5.23643 GPRESSAVG: 3932400 -49.5692 48.092 -10.5291 46.4149 15.1004 9.54544 -10.4261 11.1153 -5.24038 TIMING: 3932400 CPU: 12751.3, 0.0032136/step Wall: 12751.3, 0.0032136/step, 0.953011 hours remaining, 235.324219 MB of memory in use. ENERGY: 3932400 3960.9968 20602.6151 14437.6885 247.7077 -203085.2381 2244.1378 0.0000 0.0000 52166.1278 -109425.9645 299.7995 -161592.0923 -109061.0539 298.9582 -70.9012 -47.2581 761002.5175 -13.2059 -13.2364 PRESSURE: 3932600 74.3215 -142.875 -114.755 -142.875 -265.786 -228.267 -114.756 -228.267 256.183 GPRESSURE: 3932600 -36.8646 -144.488 -85.5668 -58.2627 -110.602 -174.07 -142.15 -150.288 291.771 PRESSAVG: 3932600 28.8611 2.39053 -41.8054 2.39044 -41.6979 -3.75673 -41.8054 -3.75675 -13.0827 GPRESSAVG: 3932600 28.4528 1.78033 -41.2634 2.32569 -41.7708 -2.46616 -43.077 -3.91387 -12.8329 TIMING: 3932600 CPU: 12752, 0.0031519/step Wall: 12752, 0.0031519/step, 0.934537 hours remaining, 235.718750 MB of memory in use. ENERGY: 3932600 3982.8220 20618.2191 14410.0752 231.8696 -203415.3577 2675.9985 0.0000 0.0000 51814.0879 -109682.2854 297.7763 -161496.3733 -109322.4950 299.1411 21.5729 48.1013 761194.2612 -8.6398 -8.7170 PRESSURE: 3932800 -70.6788 -18.2662 345.968 -18.2669 -259.051 0.0768452 345.969 0.0768098 78.1343 GPRESSURE: 3932800 -70.9725 -36.9317 296.404 -35.8665 -159.327 69.7923 309.417 -37.1996 51.6224 PRESSAVG: 3932800 6.78974 -0.281687 -38.1155 -0.281675 -21.1392 28.4346 -38.1155 28.4346 -6.38988 GPRESSAVG: 3932800 8.52755 0.374191 -38.5989 0.145013 -22.5969 29.3481 -37.8841 25.3914 -6.04843 TIMING: 3932800 CPU: 12752.6, 0.00313404/step Wall: 12752.6, 0.00313404/step, 0.929069 hours remaining, 235.718750 MB of memory in use. ENERGY: 3932800 3954.4795 20572.3280 14484.7509 250.4922 -203286.8316 2323.1200 0.0000 0.0000 51976.3215 -109725.3395 298.7086 -161701.6610 -109355.4737 299.0183 -83.8653 -59.5589 760289.4452 -6.9131 -6.7059 PRESSURE: 3933000 34.2081 33.5522 10.0043 33.5516 257.555 69.4909 10.004 69.4905 58.1822 GPRESSURE: 3933000 42.1599 55.4133 -75.8037 10.6569 260.651 35.6175 59.4077 217.317 114.692 PRESSAVG: 3933000 -37.293 6.25341 -6.49847 6.25348 15.7417 18.5237 -6.49844 18.5238 3.50347 GPRESSAVG: 3933000 -37.838 6.18179 -7.29057 6.92881 16.3157 18.2144 -5.15051 21.4035 3.61257 TIMING: 3933000 CPU: 12753.2, 0.00314632/step Wall: 12753.2, 0.00314632/step, 0.932535 hours remaining, 235.718750 MB of memory in use. ENERGY: 3933000 3977.3802 20392.0008 14462.2447 245.7758 -203438.2630 2543.9709 0.0000 0.0000 52166.2136 -109650.6770 299.7999 -161816.8906 -109291.4544 298.6961 116.6483 139.1677 759353.0492 -6.0160 -5.9699 PRESSURE: 3933200 -80.2332 -8.89296 -125.224 -8.89334 -349.958 -76.106 -125.224 -76.1044 -11.1586 GPRESSURE: 3933200 -86.9312 51.6076 -109.603 -40.5706 -255.706 -157.177 -108.037 23.5067 25.315 PRESSAVG: 3933200 -9.25748 -26.6279 -15.9604 -26.6279 -3.37018 9.80906 -15.9605 9.80908 -2.04712 GPRESSAVG: 3933200 -9.56676 -27.67 -14.367 -26.2781 -2.1315 8.6861 -16.5083 9.68297 -2.42106 TIMING: 3933200 CPU: 12753.8, 0.00314239/step Wall: 12753.8, 0.00314239/step, 0.931193 hours remaining, 235.718750 MB of memory in use. ENERGY: 3933200 4027.0832 20307.3392 14379.3259 245.6442 -203768.1183 2625.5541 0.0000 0.0000 52328.2946 -109854.8771 300.7314 -162183.1717 -109496.4245 298.7315 -147.1166 -105.7741 760445.5654 -4.8916 -4.7064 PRESSURE: 3933400 -65.4664 -19.6719 211.752 -19.672 -530.368 95.8402 211.752 95.8404 145.995 GPRESSURE: 3933400 -151.983 -0.57893 218.402 -87.3134 -433.644 216.293 245.048 56.6813 201.735 PRESSAVG: 3933400 -38.483 34.854 -14.7437 34.854 -4.76539 60.1508 -14.7436 60.1508 28.0238 GPRESSAVG: 3933400 -38.778 34.8042 -16.0905 35.552 -5.1315 60.8991 -13.7002 60.2531 27.8705 TIMING: 3933400 CPU: 12754.5, 0.00314196/step Wall: 12754.5, 0.00314196/step, 0.930892 hours remaining, 235.718750 MB of memory in use. ENERGY: 3933400 4053.5188 20516.1413 14437.4757 242.9505 -203346.1426 2547.6370 0.0000 0.0000 51517.5204 -110030.8988 296.0719 -161548.4192 -109675.2335 298.2603 -149.9465 -127.9641 761359.5517 -5.0748 -5.3463 PRESSURE: 3933600 -210.551 156.078 -147.119 156.078 260.341 33.4004 -147.119 33.4006 427.598 GPRESSURE: 3933600 -73.3445 30.2575 -54.076 157.391 147.212 18.9608 -189.551 -52.8001 466.192 PRESSAVG: 3933600 14.2976 15.6953 9.56823 15.6953 -35.8484 -1.50448 9.56822 -1.50452 1.2525 GPRESSAVG: 3933600 14.7735 14.5172 11.0613 13.695 -36.6629 -0.759845 9.38504 -1.89029 1.76459 TIMING: 3933600 CPU: 12755.1, 0.00312004/step Wall: 12755.1, 0.00312004/step, 0.924226 hours remaining, 235.718750 MB of memory in use. ENERGY: 3933600 3972.6838 20377.4238 14415.1293 221.2534 -203390.5038 2600.2186 0.0000 0.0000 51885.0626 -109918.7322 298.1842 -161803.7948 -109566.3337 298.0919 159.1291 180.0196 760306.1833 -6.7661 -6.7083 PRESSURE: 3933800 316.764 13.3649 -212.406 13.3645 173.163 11.6302 -212.407 11.6295 87.0804 GPRESSURE: 3933800 312.396 55.8038 -115.631 -38.6458 219.253 -5.42475 -159.679 -107.006 136.462 PRESSAVG: 3933800 18.3753 15.079 -4.39549 15.079 6.34124 31.5149 -4.39543 31.5149 12.9099 GPRESSAVG: 3933800 18.4507 15.2309 -5.28363 16.7481 6.90501 30.3759 -4.27981 31.2525 12.9245 TIMING: 3933800 CPU: 12755.7, 0.00311479/step Wall: 12755.7, 0.00311479/step, 0.922498 hours remaining, 235.718750 MB of memory in use. ENERGY: 3933800 4028.5888 20387.5684 14433.3486 246.0293 -203584.1156 2791.6016 0.0000 0.0000 51712.8317 -109984.1470 297.1944 -161696.9787 -109627.8017 298.3566 192.3359 222.7037 759513.9345 12.5421 12.7601 PRESSURE: 3934000 -38.509 219.37 -169.879 219.371 -48.0267 -159.904 -169.878 -159.905 57.1162 GPRESSURE: 3934000 2.63991 235.229 -101.416 228.284 -19.7898 -225.542 -148.034 -145.725 79.0744 PRESSAVG: 3934000 40.0507 -6.95558 -13.7272 -6.95551 -33.7947 -22.3951 -13.7271 -22.3952 12.9127 GPRESSAVG: 3934000 38.7489 -6.67769 -13.5354 -7.95415 -33.6929 -22.3547 -14.9404 -22.9138 14.1312 TIMING: 3934000 CPU: 12756.4, 0.00313598/step Wall: 12756.4, 0.00313598/step, 0.928597 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 3923.2216 20556.6631 14470.1899 218.9473 -203497.2152 2676.9058 0.0000 0.0000 51532.2805 -110119.0070 296.1567 -161651.2876 -109771.7752 297.6493 -9.8065 20.6415 760152.5520 6.3896 6.3957 PRESSURE: 3934200 -238.911 66.8763 207.05 66.8766 73.3186 29.1477 207.05 29.1484 223.417 GPRESSURE: 3934200 -77.1645 -13.1372 128.948 -32.7383 38.3413 17.7814 192.931 -109.502 174.039 PRESSAVG: 3934200 -3.54791 -1.11435 -9.60281 -1.11435 -9.8784 -40.3247 -9.60279 -40.3247 -3.7365 GPRESSAVG: 3934200 -1.21264 -0.879159 -10.5407 -0.952839 -10.3373 -42.3251 -9.2597 -38.6331 -5.27613 TIMING: 3934200 CPU: 12757, 0.00313473/step Wall: 12757, 0.00313473/step, 0.928055 hours remaining, 235.718750 MB of memory in use. ENERGY: 3934200 3940.7803 20341.1123 14377.4768 223.3594 -203444.9331 2837.2676 0.0000 0.0000 51564.7912 -110160.1454 296.3436 -161724.9367 -109808.2143 297.5476 19.2748 45.0720 761743.6075 -5.7209 -5.6087 PRESSURE: 3934400 40.761 24.7824 118.796 24.7815 253.112 -151.927 118.797 -151.928 208.802 GPRESSURE: 3934400 129.924 114.892 173.3 39.324 278.747 -112.906 -56.7329 -133.351 193.254 PRESSAVG: 3934400 37.3346 6.76373 37.4625 6.76376 13.573 27.2244 37.4626 27.2243 10.1617 GPRESSAVG: 3934400 37.0821 8.50669 38.9737 5.52527 13.5679 29.2341 38.4998 24.2747 10.2532 TIMING: 3934400 CPU: 12757.6, 0.00313726/step Wall: 12757.6, 0.00313726/step, 0.928629 hours remaining, 235.718750 MB of memory in use. ENERGY: 3934400 3979.8006 20497.2398 14446.4536 237.5703 -203953.4654 3044.9590 0.0000 0.0000 51789.5627 -109957.8795 297.6353 -161747.4422 -109595.1247 298.1338 167.5581 200.6418 759204.8714 20.3564 20.3010 PRESSURE: 3934600 -243.143 85.7653 114.039 85.765 -330.095 -48.3536 114.039 -48.3545 -267.851 GPRESSURE: 3934600 -155.839 55.0311 99.0058 86.7685 -278.709 -15.4495 17.3626 -11.0004 -311.792 PRESSAVG: 3934600 -18.04 24.9984 -7.5731 24.9984 -7.82991 31.2382 -7.57306 31.2382 2.87646 GPRESSAVG: 3934600 -18.7716 23.3555 -6.62329 25.4528 -8.04375 30.4801 -9.14767 33.3565 3.93359 TIMING: 3934600 CPU: 12758.2, 0.00316033/step Wall: 12758.2, 0.00316033/step, 0.935281 hours remaining, 235.718750 MB of memory in use. ENERGY: 3934600 4017.5071 20450.6987 14401.7918 227.3768 -202976.0414 2310.5327 0.0000 0.0000 51901.4821 -109666.6522 298.2785 -161568.1343 -109315.8349 297.8517 -280.3628 -248.7799 763511.4478 -7.6645 -7.6272 PRESSURE: 3934800 -313.394 286.399 -249.559 286.399 126.771 -236.585 -249.558 -236.585 -485.665 GPRESSURE: 3934800 -227.915 188.866 -252.729 404.145 113.835 -201.652 -293.247 -96.6288 -479.734 PRESSAVG: 3934800 -53.8425 12.1709 18.26 12.1709 36.5504 35.3764 18.26 35.3764 -8.70895 GPRESSAVG: 3934800 -52.6284 12.3958 16.4534 13.2325 36.0099 35.1269 17.9417 35.112 -9.56145 TIMING: 3934800 CPU: 12758.9, 0.00313637/step Wall: 12758.9, 0.00313637/step, 0.928017 hours remaining, 235.718750 MB of memory in use. ENERGY: 3934800 3978.9125 20397.2981 14468.9396 228.7316 -203043.8129 2444.7132 0.0000 0.0000 51897.2554 -109627.9626 298.2542 -161525.2180 -109269.1114 298.3106 -224.0957 -197.9382 760895.8332 -8.6670 -8.7267 PRESSURE: 3935000 -110.401 10.1309 54.5694 10.1314 -32.1949 -132.886 54.5697 -132.887 -394.324 GPRESSURE: 3935000 -71.7021 22.247 132.029 -125.348 15.9046 -130.674 104.413 -78.5743 -395.646 PRESSAVG: 3935000 4.845 26.7584 -9.6747 26.7585 -6.19017 0.165262 -9.67477 0.165149 4.83881 GPRESSAVG: 3935000 4.66692 27.2472 -8.94413 28.5899 -6.06654 -0.70925 -8.69709 -1.68183 4.57607 TIMING: 3935000 CPU: 12759.5, 0.003137/step Wall: 12759.5, 0.003137/step, 0.928029 hours remaining, 235.718750 MB of memory in use. ENERGY: 3935000 3991.9507 20426.4720 14417.9896 234.2493 -202644.5864 2021.5278 0.0000 0.0000 51961.6736 -109590.7234 298.6245 -161552.3970 -109211.9717 298.9605 -178.9731 -150.4813 762537.0933 1.1645 1.0588 PRESSURE: 3935200 -93.9717 -124.986 70.0771 -124.984 -227.926 -173.629 70.0768 -173.629 27.5286 GPRESSURE: 3935200 -42.7014 -102.587 9.06779 -0.572989 -191.137 -131.029 30.9272 71.6856 10.4886 PRESSAVG: 3935200 22.1378 40.927 27.4882 40.9271 -35.8718 5.01221 27.4882 5.01215 4.62364 GPRESSAVG: 3935200 20.0684 41.7788 27.3542 39.2472 -34.4288 6.78129 27.1583 5.6578 5.36012 TIMING: 3935200 CPU: 12760.1, 0.00315371/step Wall: 12760.1, 0.00315371/step, 0.932798 hours remaining, 235.718750 MB of memory in use. ENERGY: 3935200 3901.4327 20583.7878 14476.4923 269.0566 -202981.7868 2257.8918 0.0000 0.0000 51841.1090 -109652.0165 297.9316 -161493.1254 -109312.6205 298.5002 -98.1230 -74.4500 761402.9979 -3.0368 -3.0001 PRESSURE: 3935400 -34.9755 45.4691 -119.248 45.469 103.523 -8.47416 -119.248 -8.47379 -164.232 GPRESSURE: 3935400 -7.674 55.4178 -153.261 64.6904 116.637 -52.6581 34.723 78.1332 -141.838 PRESSAVG: 3935400 11.5922 16.1427 6.45924 16.1427 3.04723 2.90351 6.45918 2.90348 -14.5058 GPRESSAVG: 3935400 13.0839 15.81 7.35402 17.7334 1.77775 0.627559 8.07784 3.4079 -14.5825 TIMING: 3935400 CPU: 12760.8, 0.00314448/step Wall: 12760.8, 0.00314448/step, 0.929894 hours remaining, 235.718750 MB of memory in use. ENERGY: 3935400 3953.2110 20619.0987 14450.6270 241.4884 -202972.9186 2169.9035 0.0000 0.0000 51988.7692 -109549.8208 298.7802 -161538.5900 -109196.5100 298.7406 -31.8948 -10.9585 761299.2504 0.0445 0.0931 PRESSURE: 3935600 -370.602 178.792 -93.7297 178.792 -210.931 -213.628 -93.7287 -213.629 -81.0465 GPRESSURE: 3935600 -294.157 88.836 -196.814 163.032 -248.969 -254.858 -88.6887 -168.454 -24.9454 PRESSAVG: 3935600 37.0295 53.5125 40.0635 53.5125 -49.6348 18.8073 40.0634 18.8073 18.4724 GPRESSAVG: 3935600 36.7728 52.3862 38.2031 51.2988 -48.9338 20.9544 38.733 19.1915 17.7869 TIMING: 3935600 CPU: 12761.4, 0.00316247/step Wall: 12761.4, 0.00316247/step, 0.935036 hours remaining, 235.718750 MB of memory in use. ENERGY: 3935600 3964.6021 20413.8861 14437.6193 257.5487 -202586.8620 2259.1971 0.0000 0.0000 51878.0936 -109375.9149 298.1441 -161254.0086 -109021.4814 299.2521 -220.8601 -189.3568 763046.5905 1.9557 1.8753 PRESSURE: 3935800 317.143 59.5528 -115.069 59.5534 -238.955 -263.629 -115.07 -263.628 -7.54196 GPRESSURE: 3935800 284.73 141.736 -129.635 66.9 -212.267 -205.512 -121.266 -138.644 87.3836 PRESSAVG: 3935800 26.6081 7.50185 37.5826 7.50186 -12.0385 -15.6768 37.5826 -15.6767 4.21642 GPRESSAVG: 3935800 26.2295 7.0513 37.5467 7.39791 -12.2417 -16.3121 37.5078 -18.6295 4.9928 TIMING: 3935800 CPU: 12762, 0.00314177/step Wall: 12762, 0.00314177/step, 0.928744 hours remaining, 235.718750 MB of memory in use. ENERGY: 3935800 3852.0452 20410.9040 14528.5948 235.4788 -202911.6554 2405.2084 0.0000 0.0000 52014.5888 -109464.8354 298.9286 -161479.4242 -109102.3280 298.9419 23.5488 53.2822 762319.5570 6.2620 6.3269 PRESSURE: 3936000 -153.273 136.81 -221.66 136.809 -455.146 53.4591 -221.66 53.4591 -223.113 GPRESSURE: 3936000 -127.209 117.384 -296.563 90.9707 -361.409 89.2833 -180.188 27.1451 -241.328 PRESSAVG: 3936000 65.3558 15.0568 7.43664 15.0568 -80.0077 -1.88348 7.43661 -1.88345 1.36443 GPRESSAVG: 3936000 65.9645 17.818 8.94851 15.0526 -79.7255 -2.76353 6.93571 -0.32678 0.756026 TIMING: 3936000 CPU: 12762.6, 0.00312367/step Wall: 12762.6, 0.00312367/step, 0.923219 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 3992.7406 20211.6609 14469.0636 255.1591 -202776.2354 2318.3221 0.0000 0.0000 52046.8251 -109482.4641 299.1138 -161529.2892 -109127.5783 299.3723 -277.1772 -243.3155 762583.7019 -4.4292 -4.3350 PRESSURE: 3936200 -71.0755 113.623 56.7379 113.623 -44.7417 34.747 56.738 34.7478 80.2294 GPRESSURE: 3936200 -60.7987 127.531 -34.3503 150.48 -15.1165 77.8578 84.4968 -4.35408 114.532 PRESSAVG: 3936200 67.8455 28.1738 12.1746 28.1737 -55.245 -32.519 12.1746 -32.519 10.7816 GPRESSAVG: 3936200 66.6039 27.77 11.0825 29.0145 -53.8396 -31.5325 13.7695 -32.1557 10.2502 TIMING: 3936200 CPU: 12763.3, 0.00313717/step Wall: 12763.3, 0.00313717/step, 0.927035 hours remaining, 235.718750 MB of memory in use. ENERGY: 3936200 3994.7315 20299.9820 14457.9010 242.4351 -203052.2493 2566.9171 0.0000 0.0000 52067.3455 -109422.9371 299.2318 -161490.2826 -109062.2143 298.7118 -11.8626 12.8723 761995.3079 7.7940 7.6715 LDB: ============= START OF LOAD BALANCING ============== 12775.7 LDB: ============== END OF LOAD BALANCING =============== 12775.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12775.7 LDB: ============= START OF LOAD BALANCING ============== 12776 LDB: Largest compute 7055 load 0.031754 is 16.2% of average load 0.195614 LDB: Average compute 0.004398 is 2.2% of average load 0.195614 LDB: TIME 12776 LOAD: AVG 0.195614 MAX 0.214891 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 12776 LOAD: AVG 0.195614 MAX 0.214891 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: TIME 12776 LOAD: AVG 0.195614 MAX 0.214891 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: ============== END OF LOAD BALANCING =============== 12776 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12776 PRESSURE: 3936400 -58.3043 148.865 96.8722 148.866 -151.56 -154.679 96.8726 -154.678 -158.947 GPRESSURE: 3936400 -126.468 207.728 47.8341 114.339 5.63234 -156.044 71.6291 -159.777 -158.433 PRESSAVG: 3936400 79.4389 -32.9947 -3.49391 -32.9948 -65.7339 -1.08321 -3.49389 -1.08327 3.88485 GPRESSAVG: 3936400 79.7303 -32.4311 -2.27007 -33.1607 -66.1026 -2.03544 -6.98548 -0.245176 3.78181 TIMING: 3936400 CPU: 12763.9, 0.00322321/step Wall: 12763.9, 0.00322321/step, 0.95228 hours remaining, 236.093750 MB of memory in use. ENERGY: 3936400 3903.1046 20492.5222 14405.3852 232.1195 -202863.3661 2291.8962 0.0000 0.0000 51913.6499 -109624.6886 298.3485 -161538.3385 -109259.6151 298.6964 -122.9373 -93.0894 761367.0885 5.8633 5.8032 PRESSURE: 3936600 184.672 139.592 -29.6601 139.592 -172.363 -227.203 -29.6597 -227.202 49.581 GPRESSURE: 3936600 163.037 84.3112 2.33421 74.2327 -126.501 -215.577 46.2174 -226.226 109.869 PRESSAVG: 3936600 44.4899 -30.0678 22.402 -30.0677 -13.9711 -6.91163 22.4019 -6.91162 2.88454 GPRESSAVG: 3936600 45.5138 -30.4964 21.9676 -30.7987 -15.624 -7.68131 23.1293 -6.27332 3.30581 TIMING: 3936600 CPU: 12764.5, 0.00312801/step Wall: 12764.5, 0.00312801/step, 0.92398 hours remaining, 236.164062 MB of memory in use. ENERGY: 3936600 4009.9626 20364.7281 14440.8866 239.8816 -203002.1599 2413.7826 0.0000 0.0000 52062.7659 -109470.1525 299.2054 -161532.9184 -109117.4381 298.4803 20.6300 48.8019 761191.2426 11.1344 11.0652 PRESSURE: 3936800 80.5584 56.2969 19.3588 56.2974 -235.129 47.5815 19.3588 47.5812 48.5955 GPRESSURE: 3936800 100.147 -48.3253 20.9609 57.5379 -172.462 86.6894 148.033 97.3703 50.5429 PRESSAVG: 3936800 27.4748 -4.5366 16.4838 -4.53657 -46.6374 -17.0437 16.4838 -17.0438 -5.61142 GPRESSAVG: 3936800 26.3479 -5.75422 16.4178 -4.71433 -44.9228 -14.7761 18.6638 -17.6187 -5.64357 TIMING: 3936800 CPU: 12765.2, 0.00313962/step Wall: 12765.2, 0.00313962/step, 0.927234 hours remaining, 236.207031 MB of memory in use. ENERGY: 3936800 3914.1164 20428.1542 14481.7659 255.3923 -203376.2748 2609.6177 0.0000 0.0000 52234.0895 -109453.1389 300.1900 -161687.2284 -109092.8927 298.6294 -35.3252 -7.2573 760949.5337 -8.2580 -8.0728 PRESSURE: 3937000 -225.027 164.441 76.9779 164.442 51.6081 82.7297 76.9776 82.7292 -44.8249 GPRESSURE: 3937000 -191.055 221.674 -35.2629 212.542 82.4254 83.3703 167.314 52.4403 -15.4643 PRESSAVG: 3937000 -3.64173 -56.138 32.4414 -56.138 -9.35816 -7.18678 32.4414 -7.18671 -14.9401 GPRESSAVG: 3937000 -2.55954 -56.2408 30.322 -55.0522 -10.9063 -8.24927 32.1391 -8.94461 -14.4334 TIMING: 3937000 CPU: 12765.8, 0.00311895/step Wall: 12765.8, 0.00311895/step, 0.920956 hours remaining, 236.207031 MB of memory in use. ENERGY: 3937000 4055.1708 20382.2128 14462.6638 246.7819 -203135.2811 2577.8996 0.0000 0.0000 52197.9909 -109212.5613 299.9826 -161410.5522 -108846.3813 299.5483 -72.7478 -41.3646 761531.0748 -9.3133 -9.2997 PRESSURE: 3937200 30.9995 102.119 -83.5423 102.119 -322.037 -160.032 -83.542 -160.032 355.526 GPRESSURE: 3937200 110.47 52.3891 -123.47 45.618 -303.415 -103.294 -109.226 -208.806 348.69 PRESSAVG: 3937200 48.3421 -17.4464 24.069 -17.4464 8.28437 -39.5495 24.069 -39.5494 -14.5916 GPRESSAVG: 3937200 48.0973 -16.0209 26.0487 -17.9026 9.42856 -39.5272 24.9919 -38.0095 -15.5675 TIMING: 3937200 CPU: 12766.4, 0.00312774/step Wall: 12766.4, 0.00312774/step, 0.92338 hours remaining, 236.546875 MB of memory in use. ENERGY: 3937200 3951.6469 20442.9679 14481.3784 241.1148 -202824.1653 2310.0378 0.0000 0.0000 52228.1182 -109168.9014 300.1557 -161397.0195 -108794.7340 299.5206 21.4961 51.9151 762074.3273 14.0116 13.9861 PRESSURE: 3937400 -427.021 -58.169 114.462 -58.1681 26.2663 -224.674 114.462 -224.672 -261.163 GPRESSURE: 3937400 -282.227 -132.979 129.716 -227.842 20.1076 -157.297 82.0354 -87.6899 -307.218 PRESSAVG: 3937400 -18.7447 -55.535 -2.69294 -55.5351 -9.30971 -38.1789 -2.69289 -38.1789 6.65095 GPRESSAVG: 3937400 -18.5865 -57.8457 -3.16776 -55.1329 -10.1601 -38.3289 -3.58288 -38.7225 7.82553 TIMING: 3937400 CPU: 12767, 0.00311735/step Wall: 12767, 0.00311735/step, 0.920137 hours remaining, 236.546875 MB of memory in use. ENERGY: 3937400 3926.4747 20505.6644 14480.3449 234.1396 -202956.6197 2371.2019 0.0000 0.0000 52151.6638 -109287.1304 299.7163 -161438.7943 -108925.9920 299.3535 -220.6392 -189.7793 762307.5868 -7.1345 -6.9737 PRESSURE: 3937600 88.3744 28.7802 -76.1917 28.7806 -252.496 138.022 -76.1919 138.023 77.843 GPRESSURE: 3937600 63.9992 58.9815 -63.7485 -23.3702 -167.087 24.3163 -94.5382 84.6722 121.783 PRESSAVG: 3937600 -57.6554 -49.0094 -26.873 -49.0093 3.68269 -52.8522 -26.873 -52.8522 8.2845 GPRESSAVG: 3937600 -58.5688 -47.337 -24.682 -48.2665 4.85338 -53.7736 -28.7477 -53.842 7.60949 TIMING: 3937600 CPU: 12767.7, 0.00313651/step Wall: 12767.7, 0.00313651/step, 0.925618 hours remaining, 236.546875 MB of memory in use. ENERGY: 3937600 4008.7313 20357.1705 14475.0142 243.9813 -202878.8087 2446.9704 0.0000 0.0000 51992.9593 -109353.9816 298.8043 -161346.9410 -108985.6026 299.1692 -28.7596 6.2317 762417.7545 -15.2294 -15.3687 PRESSURE: 3937800 -59.45 -73.0876 -133.058 -73.0872 -84.2494 74.6137 -133.058 74.614 -53.332 GPRESSURE: 3937800 -31.9309 -178.55 -104.675 -17.158 -25.0379 124.627 -46.5977 -12.1341 -64.8058 PRESSAVG: 3937800 -0.22493 11.8152 -8.60676 11.8152 31.5391 -21.3217 -8.6067 -21.3217 2.39145 GPRESSAVG: 3937800 0.326224 11.0109 -10.464 10.2417 31.3114 -20.6859 -5.22057 -21.1928 1.90832 TIMING: 3937800 CPU: 12768.3, 0.00312281/step Wall: 12768.3, 0.00312281/step, 0.921401 hours remaining, 236.546875 MB of memory in use. ENERGY: 3937800 4046.7499 20338.9668 14414.0755 278.3432 -202937.1186 2438.9217 0.0000 0.0000 52398.0306 -109022.0310 301.1322 -161420.0616 -108657.4998 299.9254 -65.6772 -40.5915 762867.8086 11.2352 11.1820 PRESSURE: 3938000 53.5011 -35.4735 23.4523 -35.4749 104.595 89.651 23.4529 89.6504 740.544 GPRESSURE: 3938000 202.628 -54.8003 -34.6144 -158.075 70.2561 114.07 14.7509 140.915 709.694 PRESSAVG: 3938000 -36.8012 -48.7153 -45.5277 -48.7152 9.29599 16.2504 -45.5277 16.2503 -10.8352 GPRESSAVG: 3938000 -35.7094 -50.0484 -45.0219 -46.9501 8.00385 16.4558 -45.7737 16.4957 -10.4264 TIMING: 3938000 CPU: 12768.9, 0.00312874/step Wall: 12768.9, 0.00312874/step, 0.922977 hours remaining, 236.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3938000 3986.0554 20586.7790 14544.0660 255.7533 -203024.2511 2703.4073 0.0000 0.0000 51933.1024 -109015.0875 298.4603 -160948.1900 -108670.9050 300.3287 299.5466 327.5261 761235.8375 -12.7802 -12.7107 PRESSURE: 3938200 -257.954 -15.3916 -17.3419 -15.3907 -67.205 -105.082 -17.3416 -105.081 -169.417 GPRESSURE: 3938200 -225.981 -62.1485 19.1105 -44.1874 7.83423 -71.0026 -94.1703 -23.7008 -182.693 PRESSAVG: 3938200 15.9612 -42.3755 -4.13463 -42.3755 -2.73565 4.8907 -4.13459 4.8907 3.91623 GPRESSAVG: 3938200 14.7121 -39.7523 -2.70212 -44.9481 -2.09541 4.62334 -6.12971 5.10024 4.77149 TIMING: 3938200 CPU: 12769.5, 0.00313767/step Wall: 12769.5, 0.00313767/step, 0.925439 hours remaining, 236.546875 MB of memory in use. ENERGY: 3938200 3960.6424 20442.2466 14515.0722 267.2614 -203005.2419 2448.2789 0.0000 0.0000 52238.5125 -109133.2279 300.2154 -161371.7404 -108776.7420 300.1002 -164.8587 -133.6133 761616.6561 5.7139 5.7961 PRESSURE: 3938400 -29.4562 432.384 129.658 432.384 119.768 151.181 129.658 151.181 113.699 GPRESSURE: 3938400 50.9124 227.506 167.637 272.706 120.21 159.085 -89.1227 159.978 128.219 PRESSAVG: 3938400 54.9532 -70.7975 -2.08135 -70.7976 -44.9421 -29.0604 -2.08133 -29.0604 -24.5963 GPRESSAVG: 3938400 54.3829 -72.9618 -2.52201 -70.2153 -44.6661 -28.4215 -1.63232 -28.4172 -24.4572 TIMING: 3938400 CPU: 12770.2, 0.0031253/step Wall: 12770.2, 0.0031253/step, 0.921615 hours remaining, 236.546875 MB of memory in use. ENERGY: 3938400 3926.2394 20423.5519 14444.6231 246.6418 -203306.2595 2751.6181 0.0000 0.0000 52300.0680 -109213.5170 300.5692 -161513.5851 -108850.1784 299.6687 68.0039 99.7803 761282.9018 -4.8617 -4.9135 PRESSURE: 3938600 -202.774 102.472 -175.827 102.473 -301.933 -144.084 -175.826 -144.085 103.356 GPRESSURE: 3938600 -117.832 45.2766 -151.966 101.738 -292.88 -87.5031 -190.839 -152.82 82.9374 PRESSAVG: 3938600 21.6603 -42.3815 10.602 -42.3815 5.47014 -16.5318 10.6019 -16.5318 -3.03527 GPRESSAVG: 3938600 22.9376 -43.0015 9.90854 -40.6072 5.40351 -16.9507 11.1295 -16.2527 -4.73673 TIMING: 3938600 CPU: 12770.8, 0.00313149/step Wall: 12770.8, 0.00313149/step, 0.923269 hours remaining, 236.546875 MB of memory in use. ENERGY: 3938600 4037.3794 20416.1654 14485.4771 252.6047 -203148.4077 2310.9217 0.0000 0.0000 52372.9497 -109272.9097 300.9881 -161645.8594 -108918.2107 299.7178 -133.7835 -109.2583 759868.7314 8.0317 7.8681 PRESSURE: 3938800 48.3121 180.813 -86.1144 180.812 -301.84 99.5261 -86.1146 99.5263 -150.464 GPRESSURE: 3938800 -2.46346 183.751 -114.604 347.301 -130.272 90.8559 -72.6378 38.8383 -161.274 PRESSAVG: 3938800 71.4733 -41.1443 -36.9853 -41.1442 -29.9617 -31.1208 -36.9854 -31.1209 10.9844 GPRESSAVG: 3938800 70.6716 -40.2808 -37.4846 -39.4272 -28.9017 -30.7265 -36.8587 -31.8049 10.6496 TIMING: 3938800 CPU: 12771.4, 0.0031333/step Wall: 12771.4, 0.0031333/step, 0.923627 hours remaining, 236.546875 MB of memory in use. ENERGY: 3938800 4076.0227 20482.4424 14543.6833 252.9023 -203022.2340 2195.5359 0.0000 0.0000 52252.4822 -109219.1653 300.2957 -161471.6475 -108860.4600 299.9067 -134.6640 -98.0031 761118.0392 17.4987 17.4731 PRESSURE: 3939000 127.734 -159.476 151.595 -159.477 428.559 32.247 151.594 32.2468 -281.651 GPRESSURE: 3939000 147.103 -187.27 183.032 -98.3772 441.926 86.0888 112.542 5.27652 -215.757 PRESSAVG: 3939000 56.0856 -53.9415 -0.904464 -53.9415 -10.4983 37.9862 -0.904449 37.9862 -15.2314 GPRESSAVG: 3939000 55.6176 -53.9045 -1.53267 -56.6054 -11.1163 36.4566 -2.37425 39.335 -13.7152 TIMING: 3939000 CPU: 12772, 0.00313326/step Wall: 12772, 0.00313326/step, 0.923441 hours remaining, 236.546875 MB of memory in use. ENERGY: 3939000 4073.4139 20572.1959 14454.2684 241.3725 -203609.7310 2813.4063 0.0000 0.0000 52213.6372 -109241.4367 300.0725 -161455.0739 -108894.1773 299.6772 91.5477 124.4241 759795.8279 10.1186 10.2620 PRESSURE: 3939200 122.462 -48.7441 -241.603 -48.7438 303.474 54.2855 -241.602 54.2844 -83.8945 GPRESSURE: 3939200 139.857 -53.4937 -211 -127.172 317.792 27.1467 -112.645 106.712 -2.24988 PRESSAVG: 3939200 -2.06812 -53.723 1.04792 -53.7231 -7.90894 8.92719 1.04796 8.92712 15.9247 GPRESSAVG: 3939200 -2.08185 -52.3252 2.20173 -53.4352 -7.98524 9.88087 0.188212 7.54598 15.9761 TIMING: 3939200 CPU: 12772.7, 0.00315183/step Wall: 12772.7, 0.00315183/step, 0.928739 hours remaining, 236.546875 MB of memory in use. ENERGY: 3939200 3963.0038 20580.8348 14463.1954 241.9466 -202877.0524 2309.2929 0.0000 0.0000 51945.9349 -109372.8440 298.5340 -161318.7789 -109006.6877 299.8953 114.0139 151.7996 761590.1599 1.9825 1.9697 PRESSURE: 3939400 -221.589 -90.4477 -89.4447 -90.4474 253.976 -4.01065 -89.4439 -4.0113 -310.222 GPRESSURE: 3939400 -119.335 -76.8949 -194.826 -104.552 195.565 19.6778 -29.8849 -97.9617 -281.329 PRESSAVG: 3939400 -18.7169 -76.4816 39.4874 -76.4816 49.1737 -12.9694 39.4874 -12.9695 -7.48234 GPRESSAVG: 3939400 -18.0511 -75.3802 39.0888 -75.9851 48.6378 -11.3623 40.9555 -14.4978 -7.49393 TIMING: 3939400 CPU: 12773.3, 0.00314488/step Wall: 12773.3, 0.00314488/step, 0.926516 hours remaining, 236.546875 MB of memory in use. ENERGY: 3939400 4012.2589 20441.1247 14419.5171 243.9982 -203113.4925 2455.3563 0.0000 0.0000 52105.0852 -109436.1521 299.4486 -161541.2372 -109080.0835 299.3617 -92.6116 -68.3662 761309.2079 7.6581 7.6976 PRESSURE: 3939600 -129.754 24.0114 -97.0157 24.0115 -416.481 -51.6112 -97.0159 -51.6107 160.492 GPRESSURE: 3939600 -257.149 -89.4768 -114.474 47.4115 -350.697 -69.5401 -128.614 32.8643 285.185 PRESSAVG: 3939600 -31.759 -35.6962 27.7493 -35.6962 12.6052 -3.03165 27.7493 -3.03171 13.3893 GPRESSAVG: 3939600 -32.7343 -34.7854 27.1942 -37.2171 12.7022 -3.90949 28.7818 -2.6449 13.9341 TIMING: 3939600 CPU: 12773.9, 0.0031593/step Wall: 12773.9, 0.0031593/step, 0.93059 hours remaining, 236.546875 MB of memory in use. ENERGY: 3939600 3935.9864 20522.8480 14468.1248 251.5588 -203159.1022 2250.6996 0.0000 0.0000 52265.8596 -109464.0249 300.3726 -161729.8845 -109097.9263 299.4307 -128.5808 -107.5538 760827.3074 -1.9215 -2.0327 PRESSURE: 3939800 241.739 -39.5419 -166.239 -39.5424 -11.8899 -184.884 -166.239 -184.884 120.373 GPRESSURE: 3939800 269.353 -17.8873 -162.179 -29.6037 -51.7033 -180.507 -19.6524 1.54821 209.955 PRESSAVG: 3939800 32.31 -46.6127 33.2554 -46.6127 -32.4991 -3.78834 33.2554 -3.78842 16.3254 GPRESSAVG: 3939800 32.5898 -47.6322 34.7249 -46.1874 -32.2001 -3.70036 32.3722 -2.13545 15.9249 TIMING: 3939800 CPU: 12774.6, 0.00313024/step Wall: 12774.6, 0.00313024/step, 0.921854 hours remaining, 236.546875 MB of memory in use. ENERGY: 3939800 3964.1722 20609.1256 14367.3053 249.5737 -203169.5282 2489.1845 0.0000 0.0000 51964.5546 -109525.6123 298.6410 -161490.1669 -109169.6160 299.5105 116.7407 142.5346 761753.4709 5.3788 5.4382 PRESSURE: 3940000 -77.3246 -137.185 -208.767 -137.185 -186.736 203.443 -208.768 203.444 -153.38 GPRESSURE: 3940000 -41.3461 -158.49 -118.457 -172.528 -138.356 184.988 -162.136 201.017 -145.362 PRESSAVG: 3940000 34.7142 -54.8265 8.6627 -54.8265 -7.69199 54.7092 8.66271 54.7092 9.77693 GPRESSAVG: 3940000 35.0807 -57.0023 8.54959 -52.2399 -7.42635 54.7649 6.27408 53.1095 8.93968 TIMING: 3940000 CPU: 12775.2, 0.00313685/step Wall: 12775.2, 0.00313685/step, 0.923628 hours remaining, 236.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3940000 4018.2454 20567.1784 14458.1530 241.9364 -203164.3324 2369.9525 0.0000 0.0000 52060.3178 -109448.5489 299.1914 -161508.8667 -109089.7417 299.1714 -139.1470 -108.3547 760993.4110 12.2664 12.1980 PRESSURE: 3940200 -143.31 138.517 78.1132 138.518 -13.63 51.2489 78.1131 51.2471 -58.7657 GPRESSURE: 3940200 -78.7994 197.191 129.052 57.437 -15.4589 -62.6527 -42.1193 170.519 -20.3059 PRESSAVG: 3940200 14.7 -66.5624 28.3389 -66.5624 -3.88369 21.7218 28.3388 21.7218 15.097 GPRESSAVG: 3940200 14.6334 -64.7866 28.6503 -68.9405 -3.64376 20.6485 28.6829 22.1511 15.256 TIMING: 3940200 CPU: 12775.8, 0.00314906/step Wall: 12775.8, 0.00314906/step, 0.927049 hours remaining, 236.546875 MB of memory in use. ENERGY: 3940200 3937.6209 20484.5650 14443.5722 244.0892 -203450.1464 2686.6857 0.0000 0.0000 52125.2755 -109528.3378 299.5647 -161653.6133 -109156.9860 299.3475 -71.9018 -38.1881 762084.7880 8.6378 8.7485 LDB: ============= START OF LOAD BALANCING ============== 12788.2 LDB: ============== END OF LOAD BALANCING =============== 12788.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12788.2 LDB: ============= START OF LOAD BALANCING ============== 12788.6 LDB: Largest compute 7033 load 0.030913 is 15.8% of average load 0.195509 LDB: Average compute 0.004421 is 2.3% of average load 0.195509 LDB: TIME 12788.6 LOAD: AVG 0.195509 MAX 0.214512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.418 MB LDB: TIME 12788.6 LOAD: AVG 0.195509 MAX 0.214512 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 12788.6 LOAD: AVG 0.195509 MAX 0.214512 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 12788.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12788.6 PRESSURE: 3940400 196.638 22.4887 -78.5804 22.4894 -99.5773 -61.4116 -78.5808 -61.4108 -136.34 GPRESSURE: 3940400 188.456 -134.283 -120.887 56.123 -10.0405 -7.11929 -63.0964 -49.0041 -129.912 PRESSAVG: 3940400 32.4271 0.51553 -39.6344 0.5155 -37.8959 -32.4062 -39.6344 -32.4063 -2.2284 GPRESSAVG: 3940400 31.232 0.503412 -40.9599 0.364103 -37.9182 -32.9043 -38.0286 -30.2534 -1.97095 TIMING: 3940400 CPU: 12776.5, 0.00321016/step Wall: 12776.5, 0.00321016/step, 0.944858 hours remaining, 234.445312 MB of memory in use. ENERGY: 3940400 3961.8941 20648.3607 14522.7529 255.6943 -203409.0548 2523.8982 0.0000 0.0000 52007.9062 -109488.5485 298.8902 -161496.4547 -109121.6119 298.9396 -13.0931 16.1678 760693.2130 -2.5657 -2.8857 PRESSURE: 3940600 -106.721 -350.269 83.1205 -350.269 115.572 -70.8749 83.1201 -70.8749 -123.046 GPRESSURE: 3940600 -70.253 -331.983 104.222 -324.394 78.4287 -122.113 72.5722 -74.416 -48.9071 PRESSAVG: 3940600 67.1144 -38.3269 71.252 -38.3269 -63.2553 -37.8793 71.252 -37.8793 -5.92746 GPRESSAVG: 3940600 66.9417 -42.4586 71.5051 -35.1685 -63.9091 -36.0957 70.5791 -40.0204 -5.51367 TIMING: 3940600 CPU: 12777.1, 0.00314032/step Wall: 12777.1, 0.00314032/step, 0.924127 hours remaining, 234.703125 MB of memory in use. ENERGY: 3940600 3954.6805 20792.8233 14423.2143 258.1686 -203087.5019 2357.9308 0.0000 0.0000 52061.8167 -109238.8677 299.2000 -161300.6844 -108873.8872 299.5216 -38.0651 -13.5772 761556.8393 -0.6895 -0.8271 PRESSURE: 3940800 -237.771 -11.127 -92.2048 -11.1272 -336.827 -47.5492 -92.2061 -47.549 297.714 GPRESSURE: 3940800 -140.364 -28.6023 -113.801 -2.9227 -316.134 -140.4 -114.173 -39.6817 267.887 PRESSAVG: 3940800 5.29748 -57.6182 37.4405 -57.6183 0.879305 -15.2149 37.4405 -15.2149 -19.3288 GPRESSAVG: 3940800 6.77256 -53.9222 38.3259 -59.404 -0.224182 -17.2826 37.5298 -15.7003 -19.5711 TIMING: 3940800 CPU: 12777.7, 0.00314656/step Wall: 12777.7, 0.00314656/step, 0.925789 hours remaining, 234.957031 MB of memory in use. ENERGY: 3940800 3966.7015 20581.8402 14380.1830 259.7424 -202754.3093 2149.2861 0.0000 0.0000 52152.4056 -109264.1505 299.7206 -161416.5561 -108897.5678 299.8311 -92.2947 -62.8704 760947.1022 -4.3840 -4.3409 PRESSURE: 3941000 492.038 -108.027 76.059 -108.026 123.491 39.3438 76.0594 39.3438 311.042 GPRESSURE: 3941000 485.424 -115.86 80.7909 -170.081 191.338 -14.5855 49.9173 25.4497 300.64 PRESSAVG: 3941000 70.4521 -25.5955 37.8008 -25.5956 -40.6455 21.0721 37.8008 21.072 20.6483 GPRESSAVG: 3941000 69.751 -25.6079 35.459 -27.6971 -38.9563 22.3016 36.7822 20.82 19.6154 TIMING: 3941000 CPU: 12778.3, 0.00313192/step Wall: 12778.3, 0.00313192/step, 0.921306 hours remaining, 235.246094 MB of memory in use. ENERGY: 3941000 3957.9377 20575.8031 14380.7492 245.7446 -202802.9497 2439.9251 0.0000 0.0000 51949.3578 -109253.4321 298.5537 -161202.7899 -108894.1686 299.3864 308.8569 325.8005 760426.1428 16.8183 16.8034 PRESSURE: 3941200 -99.026 -37.6824 95.7877 -37.682 114.195 191.363 95.7872 191.364 92.2072 GPRESSURE: 3941200 9.83307 -61.9695 49.2022 23.8653 142.037 242.013 269.703 189.537 75.8951 PRESSAVG: 3941200 18.6228 -81.51 -44.7433 -81.5099 7.66682 21.609 -44.7433 21.6091 -28.4741 GPRESSAVG: 3941200 18.5082 -82.0883 -41.7505 -80.1264 6.98872 20.4047 -45.1836 23.3108 -27.3239 TIMING: 3941200 CPU: 12779, 0.00310869/step Wall: 12779, 0.00310869/step, 0.914299 hours remaining, 235.246094 MB of memory in use. ENERGY: 3941200 4037.9032 20534.3198 14490.1088 238.9157 -203372.5531 2641.4571 0.0000 0.0000 52261.0981 -109168.7503 300.3452 -161429.8484 -108815.7555 299.7919 35.7922 75.9216 759592.3578 -0.7282 -0.6090 PRESSURE: 3941400 -274.824 -89.554 163.932 -89.5547 -152.113 84.5592 163.931 84.5592 -116.031 GPRESSURE: 3941400 -206.496 -68.8972 206.497 -37.0951 -71.0825 128.185 127.842 92.4397 -155.323 PRESSAVG: 3941400 -21.3961 -45.9578 33.0133 -45.9577 -1.81137 21.577 33.0133 21.5771 -17.6685 GPRESSAVG: 3941400 -22.5527 -45.234 29.5961 -47.9577 -1.22628 22.7264 33.8369 22.851 -17.8821 TIMING: 3941400 CPU: 12779.6, 0.00311205/step Wall: 12779.6, 0.00311205/step, 0.915116 hours remaining, 235.246094 MB of memory in use. ENERGY: 3941400 4001.5339 20477.5782 14461.8307 250.7435 -202581.6043 2314.4301 0.0000 0.0000 52109.0618 -108966.4261 299.4715 -161075.4879 -108612.5742 300.0303 -180.9891 -144.3004 762600.3212 -13.6253 -13.8870 PRESSURE: 3941600 266.898 -372.638 -96.0503 -372.637 127.223 -25.9731 -96.0512 -25.9745 153.941 GPRESSURE: 3941600 270.336 -275.901 -130.17 -413.576 172.175 -38.2203 -97.3624 -44.195 198.879 PRESSAVG: 3941600 -5.91799 -52.3484 10.5514 -52.3484 -12.238 17.4161 10.5514 17.4161 -13.6085 GPRESSAVG: 3941600 -5.35757 -53.4962 11.5172 -51.5663 -12.3656 16.1028 13.0918 16.251 -14.214 TIMING: 3941600 CPU: 12780.2, 0.00313199/step Wall: 12780.2, 0.00313199/step, 0.920806 hours remaining, 235.246094 MB of memory in use. ENERGY: 3941600 3968.0551 20341.5221 14467.3369 245.2631 -203211.3915 2571.4717 0.0000 0.0000 52535.4958 -109082.2467 301.9222 -161617.7425 -108712.7789 300.1091 182.6870 213.7966 760625.6351 -10.5882 -10.6457 PRESSURE: 3941800 -96.2208 -372.655 12.3996 -372.656 -136.074 -110.771 12.4002 -110.772 -439.35 GPRESSURE: 3941800 -93.3583 -350.275 4.23414 -274.552 -157.065 -114.333 56.8919 54.0067 -362.521 PRESSAVG: 3941800 33.359 -43.9371 10.7145 -43.9371 -26.4209 44.0953 10.7145 44.0953 -0.568881 GPRESSAVG: 3941800 32.9672 -44.9162 11.9424 -42.9301 -26.1383 43.9746 8.94286 45.2742 -0.68217 TIMING: 3941800 CPU: 12780.8, 0.00311811/step Wall: 12780.8, 0.00311811/step, 0.91655 hours remaining, 235.246094 MB of memory in use. ENERGY: 3941800 3992.2714 20618.4183 14461.1991 239.6560 -203037.0484 2423.6226 0.0000 0.0000 52211.8392 -109090.0419 300.0622 -161301.8811 -108733.0305 299.9150 -223.8816 -204.3147 762627.4458 2.1231 2.0489 PRESSURE: 3942000 -167.934 37.9642 171.45 37.9646 -493.08 85.4167 171.451 85.417 -95.4251 GPRESSURE: 3942000 -85.3972 6.02518 159.352 20.2391 -476.091 26.4168 133.431 -39.6841 -97.2414 PRESSAVG: 3942000 10.271 -62.0768 27.9608 -62.0767 -9.44061 34.3841 27.9607 34.3841 -1.16002 GPRESSAVG: 3942000 11.4342 -60.3639 27.755 -60.6359 -10.3485 36.06 28.5362 33.5901 -1.47643 TIMING: 3942000 CPU: 12781.5, 0.00314688/step Wall: 12781.5, 0.00314688/step, 0.924834 hours remaining, 235.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3942000 4014.6907 20603.5315 14490.7980 249.6420 -202756.4621 2175.9077 0.0000 0.0000 52176.9374 -109044.9548 299.8616 -161221.8922 -108678.0050 300.2875 -252.1466 -219.5766 762044.7997 -0.1099 -0.1302 PRESSURE: 3942200 127.303 92.6532 63.6863 92.6524 45.6134 90.9064 63.687 90.9064 -226.113 GPRESSURE: 3942200 133.49 164.574 141.086 -74.7409 125.063 42.9231 38.1006 179.987 -218.514 PRESSAVG: 3942200 51.7497 -47.8561 34.2607 -47.856 -37.0471 35.1252 34.2607 35.1253 -2.88764 GPRESSAVG: 3942200 50.4025 -48.9474 32.6226 -50.0842 -36.9877 33.0732 33.3287 34.7992 -1.45288 TIMING: 3942200 CPU: 12782.1, 0.00311735/step Wall: 12782.1, 0.00311735/step, 0.915982 hours remaining, 235.246094 MB of memory in use. ENERGY: 3942200 3970.6089 20666.0453 14467.5204 262.2501 -203262.0709 2734.5513 0.0000 0.0000 52164.4039 -108996.6910 299.7895 -161161.0948 -108640.5210 300.5725 -17.7321 13.3464 760530.4789 3.9383 3.9873 PRESSURE: 3942400 191.104 -164.9 -209.261 -164.9 -67.5432 71.9171 -209.26 71.9172 90.1063 GPRESSURE: 3942400 264.574 -156.633 -131.337 -168.908 -6.87543 95.1791 -83.3095 98.8749 49.81 PRESSAVG: 3942400 30.0863 -19.2123 41.6656 -19.2124 -14.5987 61.5221 41.6656 61.5221 -2.24426 GPRESSAVG: 3942400 31.01 -18.4048 40.6533 -19.7405 -14.3465 61.5175 45.0364 63.0738 -3.31736 TIMING: 3942400 CPU: 12782.7, 0.00311247/step Wall: 12782.7, 0.00311247/step, 0.914374 hours remaining, 235.246094 MB of memory in use. ENERGY: 3942400 4059.8946 20572.8868 14451.8068 265.4250 -203018.6793 2518.9986 0.0000 0.0000 52014.6810 -109134.9866 298.9291 -161149.6676 -108773.2153 300.0482 71.2224 102.5030 762274.2547 4.4144 4.4487 PRESSURE: 3942600 149.243 37.7918 138.306 37.7923 25.9575 59.782 138.306 59.7807 -75.4413 GPRESSURE: 3942600 138.024 -66.4735 231.286 93.2839 112.753 55.0584 206.367 60.343 -76.9171 PRESSAVG: 3942600 78.3555 -40.6842 2.96601 -40.6842 -33.4283 -12.9287 2.96595 -12.9287 21.5369 GPRESSAVG: 3942600 77.5012 -44.7197 5.29501 -39.5093 -33.9038 -12.2931 -0.00193155 -14.4146 22.1836 TIMING: 3942600 CPU: 12783.3, 0.00313194/step Wall: 12783.3, 0.00313194/step, 0.919922 hours remaining, 235.246094 MB of memory in use. ENERGY: 3942600 3935.2407 20445.4019 14438.1306 253.0964 -203309.4494 2576.7229 0.0000 0.0000 52288.6834 -109372.1735 300.5038 -161660.8569 -108996.4037 299.7335 33.2531 57.9534 760154.1149 22.1547 21.9270 PRESSURE: 3942800 -151.918 84.5888 22.8507 84.5888 -473.129 126.076 22.8509 126.076 -445.816 GPRESSURE: 3942800 -35.7591 160.999 4.55263 60.6805 -404.878 118.243 -20.2959 167.786 -546.102 PRESSAVG: 3942800 25.5915 -39.5414 39.3388 -39.5414 0.258967 13.9495 39.3388 13.9495 -15.2827 GPRESSAVG: 3942800 24.926 -37.8214 38.8164 -39.207 1.47357 13.3298 38.5152 13.9112 -16.4662 TIMING: 3942800 CPU: 12784, 0.00312453/step Wall: 12784, 0.00312453/step, 0.917571 hours remaining, 235.246094 MB of memory in use. ENERGY: 3942800 4045.2164 20572.4107 14435.1989 230.3080 -203278.5611 2450.4173 0.0000 0.0000 52096.6209 -109448.3888 299.4000 -161545.0097 -109085.8758 299.6107 -356.9545 -328.9130 761374.7280 3.5226 3.3111 PRESSURE: 3943000 -23.061 -0.0543004 13.8405 -0.0549526 -211.341 144.754 13.8389 144.754 -132.278 GPRESSURE: 3943000 -3.00877 72.3174 22.7546 -34.5812 -218.726 121.796 -26.6674 177.297 -58.109 PRESSAVG: 3943000 44.0514 -24.5142 21.1478 -24.5142 -35.1321 17.2061 21.1478 17.2062 8.96705 GPRESSAVG: 3943000 45.1338 -22.4794 21.1299 -25.6634 -36.3387 18.9327 23.1006 16.8229 9.22016 TIMING: 3943000 CPU: 12784.6, 0.00313333/step Wall: 12784.6, 0.00313333/step, 0.919979 hours remaining, 235.246094 MB of memory in use. ENERGY: 3943000 4084.4098 20549.7420 14371.5656 269.9054 -203494.3340 2539.1985 0.0000 0.0000 51979.1241 -109700.3887 298.7247 -161679.5128 -109334.0614 299.0882 -122.2265 -93.2812 761673.3891 5.9621 6.0051 PRESSURE: 3943200 41.9385 32.0712 103.046 32.0723 -160.939 -69.0095 103.046 -69.0091 -145.324 GPRESSURE: 3943200 26.673 56.7998 40.2284 57.2032 -66.5822 -69.0319 17.6522 -42.758 -154.706 PRESSAVG: 3943200 54.1627 -35.9863 -8.72905 -35.9864 -35.5639 29.8954 -8.72909 29.8953 24.0834 GPRESSAVG: 3943200 53.8037 -37.1761 -6.65388 -34.3856 -35.0746 29.4484 -10.5114 30.6262 23.6255 TIMING: 3943200 CPU: 12785.2, 0.00313377/step Wall: 12785.2, 0.00313377/step, 0.919935 hours remaining, 235.246094 MB of memory in use. ENERGY: 3943200 3998.3543 20531.0210 14462.3444 233.9096 -203269.0252 2400.3246 0.0000 0.0000 51912.6720 -109730.3993 298.3428 -161643.0713 -109369.0545 298.7422 -88.1080 -64.8718 762111.9569 14.2274 14.1182 PRESSURE: 3943400 89.4388 -27.9005 73.6756 -27.9003 -147.58 208.947 73.6756 208.948 298.835 GPRESSURE: 3943400 113.419 -6.12729 92.8522 26.7557 -100.855 244.771 62.5464 163.421 297.335 PRESSAVG: 3943400 30.7501 -13.0062 11.0831 -13.0062 -52.2864 17.0005 11.0831 17.0005 -31.7475 GPRESSAVG: 3943400 31.4828 -10.5343 9.66334 -14.1799 -53.4409 15.83 11.4778 17.058 -31.2771 TIMING: 3943400 CPU: 12785.8, 0.00312312/step Wall: 12785.8, 0.00312312/step, 0.916636 hours remaining, 235.246094 MB of memory in use. ENERGY: 3943400 4013.2616 20384.1590 14440.1971 252.4430 -203276.3459 2568.4711 0.0000 0.0000 52152.8969 -109464.9172 299.7234 -161617.8141 -109099.8771 298.9445 80.2313 103.2995 763734.9013 -17.7613 -17.7450 PRESSURE: 3943600 99.3712 -95.4756 147.057 -95.4767 123.606 -101.802 147.056 -101.803 133.186 GPRESSURE: 3943600 107.725 -95.2179 73.5252 -202.571 183.929 -102.6 135.949 -88.8945 144.322 PRESSAVG: 3943600 33.5375 -68.5839 15.1201 -68.584 -53.8072 17.2073 15.1201 17.2073 -8.07212 GPRESSAVG: 3943600 33.5867 -68.8173 15.9157 -71.0634 -52.3194 16.6244 14.8161 17.904 -9.20023 TIMING: 3943600 CPU: 12786.5, 0.00314224/step Wall: 12786.5, 0.00314224/step, 0.922072 hours remaining, 235.246094 MB of memory in use. ENERGY: 3943600 3956.6146 20757.6835 14383.3617 270.0571 -203626.2050 2802.5364 0.0000 0.0000 52079.9389 -109376.0127 299.3041 -161455.9516 -109015.9166 299.3304 118.7212 145.3252 763102.9488 -9.4473 -9.3110 PRESSURE: 3943800 105.535 -77.0568 -269.94 -77.0565 107.478 -7.37269 -269.941 -7.37263 72.0734 GPRESSURE: 3943800 195.396 -84.2089 -208.823 -135 92.7442 16.0183 -320.73 -1.58041 88.5791 PRESSAVG: 3943800 -1.34539 -62.0376 -27.9196 -62.0376 -13.1411 44.8325 -27.9196 44.8326 9.28402 GPRESSAVG: 3943800 -1.12666 -61.9267 -29.0963 -59.3985 -15.0448 45.6126 -28.5904 44.0674 10.9554 TIMING: 3943800 CPU: 12787.1, 0.00315357/step Wall: 12787.1, 0.00315357/step, 0.925224 hours remaining, 235.246094 MB of memory in use. ENERGY: 3943800 3943.2633 20579.9699 14405.5365 247.5866 -203297.4860 2551.4004 0.0000 0.0000 52157.0974 -109412.6320 299.7476 -161569.7294 -109047.7515 299.4138 95.0287 125.5730 762951.8507 -1.7342 -1.7387 PRESSURE: 3944000 111.377 -20.5742 -23.1942 -20.5737 -240.204 -82.1305 -23.1931 -82.1306 209.971 GPRESSURE: 3944000 126.869 -11.0581 49.1339 -5.15626 -182.779 -39.7943 -87.9553 -21.2761 212.772 PRESSAVG: 3944000 33.2435 -66.7302 4.37411 -66.7301 -30.9487 -4.79488 4.37419 -4.79486 21.1216 GPRESSAVG: 3944000 33.6324 -66.4199 3.76457 -69.1984 -29.7877 -5.01574 5.28976 -5.59689 19.2326 TIMING: 3944000 CPU: 12787.7, 0.00312367/step Wall: 12787.7, 0.00312367/step, 0.916277 hours remaining, 235.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3944000 3959.6201 20563.3071 14511.8323 237.2770 -203353.6644 2404.4867 0.0000 0.0000 52109.7075 -109567.4337 299.4752 -161677.1412 -109203.6466 298.8453 27.0481 52.2872 761197.9594 7.8054 7.6924 PRESSURE: 3944200 280.065 -74.2659 46.2918 -74.2658 -400.063 -235.412 46.292 -235.412 443.641 GPRESSURE: 3944200 276.617 29.1904 80.6101 -42.632 -327.205 -185.14 -109.658 -118.653 448.373 PRESSAVG: 3944200 28.1059 -46.0063 -15.4009 -46.0063 -62.5168 6.12067 -15.4009 6.12063 -3.16137 GPRESSAVG: 3944200 26.0893 -46.0111 -13.7239 -44.3911 -61.9673 5.6158 -17.5838 8.01387 -1.55218 TIMING: 3944200 CPU: 12788.4, 0.00313337/step Wall: 12788.4, 0.00313337/step, 0.918947 hours remaining, 235.246094 MB of memory in use. ENERGY: 3944200 4030.9447 20781.5985 14470.3601 233.7038 -203635.4700 2655.2199 0.0000 0.0000 51933.8980 -109529.7450 298.4648 -161463.6430 -109173.6475 299.0669 107.8810 132.5947 760942.8833 -12.5241 -12.4767 LDB: ============= START OF LOAD BALANCING ============== 12800.8 LDB: ============== END OF LOAD BALANCING =============== 12800.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12800.8 LDB: ============= START OF LOAD BALANCING ============== 12801.1 LDB: Largest compute 7069 load 0.031089 is 15.9% of average load 0.195519 LDB: Average compute 0.004413 is 2.3% of average load 0.195519 LDB: TIME 12801.1 LOAD: AVG 0.195519 MAX 0.213938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.578 MB LDB: TIME 12801.1 LOAD: AVG 0.195519 MAX 0.213938 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: TIME 12801.1 LOAD: AVG 0.195519 MAX 0.213938 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: ============== END OF LOAD BALANCING =============== 12801.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12801.1 PRESSURE: 3944400 -68.9273 89.8498 73.2233 89.8498 -183.224 102.196 73.2223 102.197 46.8177 GPRESSURE: 3944400 40.3726 -115.056 6.17939 78.2042 -245.222 41.5582 55.8251 -12.6885 87.3665 PRESSAVG: 3944400 61.6565 0.227802 -13.1974 0.227892 -52.6235 -7.96777 -13.1974 -7.96771 -29.5023 GPRESSAVG: 3944400 61.2649 -0.36267 -14.8575 1.10571 -53.3049 -7.42759 -11.861 -9.69677 -28.398 TIMING: 3944400 CPU: 12789, 0.00322036/step Wall: 12789, 0.00322036/step, 0.944282 hours remaining, 235.523438 MB of memory in use. ENERGY: 3944400 4019.5952 20616.1336 14380.5410 268.8171 -203468.2722 2721.7173 0.0000 0.0000 51936.6857 -109524.7823 298.4808 -161461.4680 -109177.5718 299.4172 -68.4446 -39.1611 760920.1703 -6.8231 -6.8127 PRESSURE: 3944600 71.4729 35.7669 -39.9552 35.7677 -235.616 171.677 -39.9542 171.678 -389.937 GPRESSURE: 3944600 85.7112 128.591 -164.642 -5.7526 -218.077 149.598 -102.587 149.817 -345.074 PRESSAVG: 3944600 29.2443 -24.6799 1.47089 -24.6799 -8.27275 7.31194 1.47088 7.31192 21.6596 GPRESSAVG: 3944600 30.8253 -24.6523 1.78173 -24.6488 -8.73638 6.39507 0.196822 9.16572 20.4022 TIMING: 3944600 CPU: 12789.6, 0.00313455/step Wall: 12789.6, 0.00313455/step, 0.918947 hours remaining, 235.925781 MB of memory in use. ENERGY: 3944600 4010.5440 20513.4619 14430.4123 225.6293 -202781.5576 2143.9059 0.0000 0.0000 51914.7360 -109542.8682 298.3547 -161457.6042 -109178.6651 298.7943 -184.6933 -159.1464 761900.8790 14.2104 14.1637 PRESSURE: 3944800 96.0923 -9.52237 -173.879 -9.52248 -185.299 -57.0664 -173.878 -57.0657 318.721 GPRESSURE: 3944800 148.901 30.8058 -96.2741 99.6257 -142.691 -115.596 -104.673 60.6256 308.996 PRESSAVG: 3944800 -20.3836 -13.5378 33.0563 -13.5377 -5.09165 -2.08367 33.0563 -2.08363 10.3436 GPRESSAVG: 3944800 -21.7317 -13.5983 34.0826 -14.5991 -3.56713 -1.75687 34.7741 -3.56799 10.0524 TIMING: 3944800 CPU: 12790.3, 0.00314949/step Wall: 12790.3, 0.00314949/step, 0.92315 hours remaining, 235.925781 MB of memory in use. ENERGY: 3944800 4041.0480 20644.0247 14438.5197 238.8646 -203299.7420 2521.1181 0.0000 0.0000 52013.3874 -109402.7795 298.9217 -161416.1669 -109043.4421 298.8460 76.5046 105.0687 760789.0515 -5.0439 -5.0822 PRESSURE: 3945000 24.9026 -166.069 17.2277 -166.069 62.6447 16.0796 17.2277 16.0788 -106.103 GPRESSURE: 3945000 78.4062 -232.905 20.2635 -211.177 63.1478 -12.832 47.3447 -37.4121 -67.4418 PRESSAVG: 3945000 -11.3111 24.855 10.3262 24.855 -22.6539 -21.4177 10.3261 -21.4177 0.2649 GPRESSAVG: 3945000 -10.0958 24.0688 10.5909 24.182 -24.1603 -20.3842 10.1406 -20.0637 0.33953 TIMING: 3945000 CPU: 12790.9, 0.00314493/step Wall: 12790.9, 0.00314493/step, 0.92164 hours remaining, 236.062500 MB of memory in use. ENERGY: 3945000 4010.4865 20483.0441 14380.5735 257.4683 -203319.3275 2685.1406 0.0000 0.0000 52168.8707 -109333.7439 299.8152 -161502.6145 -108969.0480 299.3948 -6.1854 24.7041 762457.0371 -11.2334 -11.3055 PRESSURE: 3945200 -34.0409 42.8552 276.813 42.8543 -104.02 19.2361 276.813 19.2352 -139.432 GPRESSURE: 3945200 -2.47123 -65.8416 198.941 71.0112 20.9108 71.7562 262.083 30.1356 -187.258 PRESSAVG: 3945200 17.4883 -25.6538 30.5672 -25.6538 -45.5259 51.7474 30.5673 51.7474 -2.05872 GPRESSAVG: 3945200 15.4231 -27.5897 28.3458 -22.8541 -43.8587 51.8009 29.4826 51.2363 -1.73402 TIMING: 3945200 CPU: 12791.5, 0.00312936/step Wall: 12791.5, 0.00312936/step, 0.916903 hours remaining, 236.062500 MB of memory in use. ENERGY: 3945200 4050.3809 20664.2425 14414.8417 235.5329 -203316.8762 2616.8876 0.0000 0.0000 52135.9762 -109199.0145 299.6262 -161334.9907 -108836.6700 299.2572 -92.4975 -56.2728 763028.8986 -10.0321 -10.0566 PRESSURE: 3945400 -76.3519 -188.514 -75.533 -188.514 53.9759 -110.08 -75.5335 -110.08 -301.368 GPRESSURE: 3945400 -26.6779 -204.544 -72.4007 -233.702 44.0521 -69.9486 -8.83797 -68.1712 -273.068 PRESSAVG: 3945400 31.8614 -35.3448 -15.9116 -35.3448 -104.849 56.7062 -15.9116 56.7062 6.73246 GPRESSAVG: 3945400 33.1362 -32.0023 -14.8338 -39.0734 -105.79 55.8062 -15.865 55.9481 6.04669 TIMING: 3945400 CPU: 12792.1, 0.00313187/step Wall: 12792.1, 0.00313187/step, 0.917465 hours remaining, 236.062500 MB of memory in use. ENERGY: 3945400 4084.5453 20622.1033 14404.3855 216.7765 -203027.8368 2503.4324 0.0000 0.0000 52167.3765 -109029.2172 299.8066 -161196.5937 -108667.2388 300.0358 -107.9148 -85.2311 761900.7755 -22.0850 -22.2022 PRESSURE: 3945600 -298.964 -126.242 161.951 -126.243 -187.242 53.3984 161.952 53.3969 -308.216 GPRESSURE: 3945600 -320.272 -32.5467 105.944 -105.493 -205.935 -26.9071 127.991 8.7915 -203.016 PRESSAVG: 3945600 29.4292 -56.9186 16.3804 -56.9186 -44.2612 9.30447 16.3804 9.30441 13.9191 GPRESSAVG: 3945600 28.6336 -59.7031 15.2209 -52.4152 -45.0239 8.99942 16.6014 9.81193 14.7716 TIMING: 3945600 CPU: 12792.8, 0.00312544/step Wall: 12792.8, 0.00312544/step, 0.915408 hours remaining, 236.062500 MB of memory in use. ENERGY: 3945600 4033.6686 20640.1086 14442.8067 239.7070 -203309.3883 2539.0696 0.0000 0.0000 52405.4000 -109008.6279 301.1746 -161414.0279 -108643.8361 300.5929 -264.8073 -243.0743 761681.2381 -0.3043 -0.5396 PRESSURE: 3945800 283.111 -47.1282 -340.066 -47.1278 -175.278 -108.522 -340.067 -108.522 258.498 GPRESSURE: 3945800 270.678 -73.9772 -386.995 -101.066 -64.5813 -106.46 -237.753 -87.3354 227.523 PRESSAVG: 3945800 -2.47068 -15.1874 -30.2014 -15.1874 -49.0018 -1.63412 -30.2015 -1.63418 23.4641 GPRESSAVG: 3945800 -2.38051 -14.0284 -29.3974 -18.5545 -47.8129 0.151289 -30.7885 -3.46856 22.6591 TIMING: 3945800 CPU: 12793.4, 0.0031294/step Wall: 12793.4, 0.0031294/step, 0.916394 hours remaining, 236.062500 MB of memory in use. ENERGY: 3945800 4030.1202 20593.3472 14462.3131 254.8534 -203279.6934 2494.3175 0.0000 0.0000 52376.6904 -109068.0516 301.0096 -161444.7421 -108700.8265 300.2148 122.1101 144.5398 762285.6991 -9.3361 -9.1781 PRESSURE: 3946000 -126.984 102.962 60.6892 102.962 -143.116 -46.0805 60.6901 -46.0809 122.257 GPRESSURE: 3946000 -48.3478 93.6782 147.104 40.6082 -164.89 -150.287 168.668 -64.6102 148.621 PRESSAVG: 3946000 29.7078 1.35993 -4.99544 1.35994 -25.4906 -4.92146 -4.99545 -4.9215 -7.05006 GPRESSAVG: 3946000 29.9513 2.2845 -5.98052 1.57249 -26.4374 -7.09205 -3.44247 -3.01059 -6.97805 TIMING: 3946000 CPU: 12794, 0.00312603/step Wall: 12794, 0.00312603/step, 0.915233 hours remaining, 236.062500 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: 3946000 3990.3151 20593.9434 14531.2308 260.3072 -203146.3033 2412.2138 0.0000 0.0000 52465.2132 -108893.0798 301.5183 -161358.2930 -108522.5495 300.7264 -49.2809 -21.5390 760416.5416 -0.9443 -1.1547 PRESSURE: 3946200 -559.213 -187.103 -54.4547 -187.103 -222.772 61.9513 -54.4548 61.951 -25.88 GPRESSURE: 3946200 -414.346 -224.368 -62.3714 -153.589 -195.652 13.7712 -105.025 -11.5033 -92.3311 PRESSAVG: 3946200 17.7484 -38.0736 -1.29349 -38.0736 3.15212 -16.6569 -1.29346 -16.6569 17.9997 GPRESSAVG: 3946200 17.6652 -38.083 0.788034 -39.3322 2.69544 -15.8462 -2.13422 -17.6882 18.7001 TIMING: 3946200 CPU: 12794.6, 0.00311952/step Wall: 12794.6, 0.00311952/step, 0.913153 hours remaining, 236.265625 MB of memory in use. ENERGY: 3946200 4063.3549 20695.7423 14541.8596 240.4195 -203263.0990 2359.2641 0.0000 0.0000 52414.1850 -108948.2735 301.2250 -161362.4585 -108585.0077 300.7415 -269.2884 -234.1096 760126.6648 12.9668 13.0202 PRESSURE: 3946400 279.418 16.8359 -505.348 16.8353 -246.34 35.6435 -505.349 35.6418 453.139 GPRESSURE: 3946400 251.157 47.1513 -583.011 3.98712 -70.2016 -38.5706 -385.656 -62.071 389.553 PRESSAVG: 3946400 45.6083 17.2091 -45.0086 17.2091 -19.8402 -9.13757 -45.0086 -9.13751 13.8269 GPRESSAVG: 3946400 46.7289 17.8901 -47.0052 20.12 -20.0542 -7.6585 -41.9284 -9.58234 12.8909 TIMING: 3946400 CPU: 12795.3, 0.00310769/step Wall: 12795.3, 0.00310769/step, 0.909517 hours remaining, 236.265625 MB of memory in use. ENERGY: 3946400 3984.2547 20547.9016 14569.7280 254.2819 -203076.2081 2520.6809 0.0000 0.0000 52557.1069 -108642.2541 302.0464 -161199.3610 -108270.6178 301.2436 162.0722 190.1695 762053.3798 13.1983 13.1885 PRESSURE: 3946600 222.364 76.4857 -103.29 76.4853 45.6985 80.8733 -103.289 80.8724 -24.2714 GPRESSURE: 3946600 283.615 54.0623 -196.092 36.9807 -7.29726 105.045 -128.816 84.1297 59.6081 PRESSAVG: 3946600 37.937 -12.8369 -76.8108 -12.8368 -22.4546 -12.0266 -76.8107 -12.0266 -0.159571 GPRESSAVG: 3946600 37.3654 -13.8924 -76.2594 -14.3519 -22.1437 -12.3933 -79.1788 -14.1937 -0.705527 TIMING: 3946600 CPU: 12795.9, 0.0031299/step Wall: 12795.9, 0.0031299/step, 0.915844 hours remaining, 236.265625 MB of memory in use. ENERGY: 3946600 4025.2993 20701.9592 14556.3522 231.9855 -203112.7446 2613.2236 0.0000 0.0000 52357.5501 -108626.3747 300.8996 -160983.9248 -108276.5595 301.3008 81.2638 111.9754 760369.7684 5.1076 4.8387 PRESSURE: 3946800 -286.027 210.222 94.518 210.224 -140.541 268.664 94.5179 268.665 -433.782 GPRESSURE: 3946800 -288.17 144.614 115.858 172.942 -87.357 219.977 -13.3229 275.987 -404.853 PRESSAVG: 3946800 55.2717 -21.4212 -20.6358 -21.4212 -23.2593 -11.8873 -20.6358 -11.8873 -8.15313 GPRESSAVG: 3946800 55.8581 -23.0646 -20.9126 -21.7217 -23.3562 -12.2029 -22.1982 -8.07557 -8.79187 TIMING: 3946800 CPU: 12796.5, 0.0031267/step Wall: 12796.5, 0.0031267/step, 0.914733 hours remaining, 236.265625 MB of memory in use. ENERGY: 3946800 4105.1582 20714.1828 14580.2115 259.1889 -203228.6871 2484.9103 0.0000 0.0000 52392.2344 -108692.8010 301.0989 -161085.0354 -108329.3664 301.5086 -286.7836 -260.1268 760610.7080 7.9531 7.9033 PRESSURE: 3947000 16.2008 -124.533 -72.0748 -124.533 345.473 61.2801 -72.0749 61.2801 39.2443 GPRESSURE: 3947000 1.88431 -183.442 -49.5392 -80.7312 348.379 74.4573 -81.4101 74.8959 123.491 PRESSAVG: 3947000 -16.511 14.8743 -22.0712 14.8743 15.314 30.8447 -22.0711 30.8447 6.25032 GPRESSAVG: 3947000 -17.3468 15.7598 -22.1866 16.9913 15.1346 31.4722 -20.1631 29.9944 7.26013 TIMING: 3947000 CPU: 12797.1, 0.00313191/step Wall: 12797.1, 0.00313191/step, 0.916083 hours remaining, 236.265625 MB of memory in use. ENERGY: 3947000 4094.2424 20629.9552 14482.3880 257.8973 -202970.2686 2377.9255 0.0000 0.0000 52443.8743 -108683.9860 301.3957 -161127.8602 -108324.8622 301.4712 133.6393 157.9183 760762.4668 1.6844 1.6826 PRESSURE: 3947200 84.4616 14.6256 -57.2686 14.6263 247.068 101.089 -57.2681 101.09 264.415 GPRESSURE: 3947200 99.6355 13.5712 -137.526 45.5275 280.308 113.952 44.7161 70.8515 321.494 PRESSAVG: 3947200 -21.5702 -22.0829 -44.1488 -22.0829 73.7647 1.55721 -44.1488 1.55718 15.3956 GPRESSAVG: 3947200 -21.5401 -21.875 -45.3832 -23.007 74.8282 1.99678 -41.6615 0.788537 15.2059 TIMING: 3947200 CPU: 12797.8, 0.00312599/step Wall: 12797.8, 0.00312599/step, 0.914177 hours remaining, 236.265625 MB of memory in use. ENERGY: 3947200 4007.6063 20760.0316 14404.1217 253.5576 -203233.3367 2574.1077 0.0000 0.0000 52264.3618 -108969.5499 300.3640 -161233.9118 -108604.0053 301.1316 198.6480 233.8125 760169.5332 22.5300 22.8313 PRESSURE: 3947400 -286.398 178.461 -36.0601 178.46 -207.34 -64.2738 -36.0597 -64.274 -357.415 GPRESSURE: 3947400 -314.446 118.719 -13.9069 160.312 -157.442 -34.1962 -11.3607 -48.6005 -318.069 PRESSAVG: 3947400 19.551 -81.3389 -34.7063 -81.3389 -13.5756 -22.5445 -34.7063 -22.5445 -3.81896 GPRESSAVG: 3947400 19.7555 -82.5937 -33.8999 -79.9023 -14.7132 -23.0799 -34.7266 -21.3361 -3.6871 TIMING: 3947400 CPU: 12798.4, 0.00312271/step Wall: 12798.4, 0.00312271/step, 0.913045 hours remaining, 236.265625 MB of memory in use. ENERGY: 3947400 4008.7358 20634.8134 14477.4316 259.6544 -203231.4998 2557.9743 0.0000 0.0000 52374.9405 -108917.9498 300.9995 -161292.8903 -108538.4845 301.2096 -283.7176 -263.3193 761682.9414 0.7188 0.4518 PRESSURE: 3947600 176.86 33.6573 -23.6529 33.6569 66.8879 64.6338 -23.6528 64.6337 299.921 GPRESSURE: 3947600 282.443 22.2465 -7.40261 5.46478 62.6905 81.1319 -126.03 139.156 280.059 PRESSAVG: 3947600 -16.5621 -61.5018 1.07274 -61.5018 -33.2611 8.25784 1.07271 8.25783 -6.51489 GPRESSAVG: 3947600 -17.6175 -59.9708 1.24947 -64.2334 -32.0219 8.53858 -0.4602 8.70246 -6.38292 TIMING: 3947600 CPU: 12799, 0.00311292/step Wall: 12799, 0.00311292/step, 0.910012 hours remaining, 236.265625 MB of memory in use. ENERGY: 3947600 3983.5471 20495.9963 14415.2007 259.6587 -203451.0683 2769.5039 0.0000 0.0000 52504.1226 -109023.0391 301.7419 -161527.1617 -108658.0045 300.6960 181.2231 208.3974 761661.0522 -18.7794 -18.6741 PRESSURE: 3947800 -194.638 96.4921 29.18 96.4915 -327.176 -53.6753 29.1807 -53.6752 33.0322 GPRESSURE: 3947800 -107.192 134.235 -38.2909 59.2797 -330.159 -28.8485 174.273 -55.9794 39.3792 PRESSAVG: 3947800 14.7059 -88.7034 -15.4219 -88.7034 -21.58 -22.8936 -15.4219 -22.8937 10.5303 GPRESSAVG: 3947800 15.2486 -89.5135 -16.8042 -85.8814 -22.6844 -22.8878 -15.4191 -22.2054 11.0272 TIMING: 3947800 CPU: 12799.6, 0.00311924/step Wall: 12799.6, 0.00311924/step, 0.911685 hours remaining, 236.265625 MB of memory in use. ENERGY: 3947800 4047.6649 20489.2378 14521.4123 247.8080 -202977.5118 2430.9340 0.0000 0.0000 52209.2051 -109031.2496 300.0470 -161240.4548 -108661.2462 300.9505 -162.9271 -132.6572 762560.0904 1.2187 1.1971 PRESSURE: 3948000 288.322 -97.9934 -89.6037 -97.9937 159.297 395.41 -89.6044 395.409 184.772 GPRESSURE: 3948000 325.204 -57.5261 -109.101 -92.9196 217.702 379.455 -113.271 270.109 184.606 PRESSAVG: 3948000 32.9831 -26.5861 -39.4025 -26.5862 -2.59626 4.471 -39.4025 4.47098 20.666 GPRESSAVG: 3948000 33.6945 -25.5449 -37.8062 -27.9324 -2.29657 4.65455 -40.0636 2.02352 19.361 TIMING: 3948000 CPU: 12800.3, 0.00312119/step Wall: 12800.3, 0.00312119/step, 0.91208 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3948000 3955.2384 20547.2350 14419.9502 233.7435 -203416.8118 2939.5255 0.0000 0.0000 52281.2464 -109039.8728 300.4610 -161321.1192 -108679.9051 300.5668 210.7970 242.5042 763835.2324 17.0176 16.9196 PRESSURE: 3948200 395.389 -148.08 47.3727 -148.08 196.531 -215.595 47.3731 -215.595 -2.87965 GPRESSURE: 3948200 374.885 -111.888 -95.5171 -58.5698 193.627 -135.942 70.536 -203.086 111.72 PRESSAVG: 3948200 14.2307 -6.97385 -12.4386 -6.97397 -49.4714 -33.0008 -12.4386 -33.0008 6.15736 GPRESSAVG: 3948200 13.8255 -6.57132 -12.3487 -8.39536 -50.4515 -34.1656 -12.0291 -31.3434 6.85709 TIMING: 3948200 CPU: 12800.9, 0.00315074/step Wall: 12800.9, 0.00315074/step, 0.920541 hours remaining, 236.265625 MB of memory in use. ENERGY: 3948200 4009.8992 20521.4250 14489.1584 243.1897 -202984.2762 2702.4918 0.0000 0.0000 52169.8132 -108848.2988 299.8206 -161018.1121 -108496.6797 300.3424 196.3467 226.7438 761736.3717 -9.6945 -9.9229 LDB: ============= START OF LOAD BALANCING ============== 12813.3 LDB: ============== END OF LOAD BALANCING =============== 12813.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12813.3 LDB: ============= START OF LOAD BALANCING ============== 12813.6 LDB: Largest compute 7031 load 0.031246 is 16.0% of average load 0.195554 LDB: Average compute 0.004419 is 2.3% of average load 0.195554 LDB: TIME 12813.6 LOAD: AVG 0.195554 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 12813.6 LOAD: AVG 0.195554 MAX 0.21492 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.105 MB LDB: TIME 12813.6 LOAD: AVG 0.195554 MAX 0.21492 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.105 MB LDB: ============== END OF LOAD BALANCING =============== 12813.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12813.6 PRESSURE: 3948400 -90.0427 76.0453 117.994 76.0453 -28.8574 -143.879 117.994 -143.878 -57.2601 GPRESSURE: 3948400 162.383 113.825 75.213 67.0449 -137.688 -127.358 159.821 -74.301 -118.433 PRESSAVG: 3948400 43.074 -18.8613 -32.7327 -18.8613 -20.1259 -28.0843 -32.7327 -28.0843 19.9798 GPRESSAVG: 3948400 44.3662 -20.4552 -32.1449 -18.0754 -20.0616 -26.4274 -35.1693 -27.1314 18.3355 TIMING: 3948400 CPU: 12801.5, 0.00320341/step Wall: 12801.5, 0.00320341/step, 0.935751 hours remaining, 236.164062 MB of memory in use. ENERGY: 3948400 3959.8407 20709.3667 14457.1003 283.3255 -203185.4799 2524.4761 0.0000 0.0000 52224.7193 -109026.6511 300.1362 -161251.3705 -108654.3677 300.4982 -58.7200 -31.2459 762258.3823 14.3093 14.2134 PRESSURE: 3948600 -70.065 -114.876 -50.1379 -114.876 -201.216 349.703 -50.1381 349.704 -317.625 GPRESSURE: 3948600 -193.887 -168.799 -7.72197 -110.335 -17.1354 339.901 -72.3651 305.184 -290.393 PRESSAVG: 3948600 -4.77072 -8.65153 -18.4619 -8.65148 17.8579 19.8264 -18.4619 19.8265 -8.99516 GPRESSAVG: 3948600 -7.55251 -7.79066 -17.8347 -9.64471 18.6237 21.0871 -16.5899 17.4155 -7.40998 TIMING: 3948600 CPU: 12802.2, 0.0031416/step Wall: 12802.2, 0.0031416/step, 0.917522 hours remaining, 236.234375 MB of memory in use. ENERGY: 3948600 4017.2376 20491.2246 14469.7078 227.8826 -203107.0356 2604.2764 0.0000 0.0000 52027.8376 -109268.8689 299.0047 -161296.7065 -108901.7570 300.3701 -196.3020 -167.1385 762508.1414 1.3640 1.2204 PRESSURE: 3948800 84.1969 240.207 123.281 240.208 -177.116 -54.3768 123.281 -54.3769 451.71 GPRESSURE: 3948800 6.35102 194.951 0.633665 233.478 28.1028 -113.513 47.2713 27.3832 413.288 PRESSAVG: 3948800 -12.3187 -32.778 -22.0572 -32.7779 -16.0827 68.5485 -22.0572 68.5485 -23.1342 GPRESSAVG: 3948800 -13.4586 -32.5878 -23.6889 -31.7157 -15.5488 65.1472 -20.6066 71.8316 -22.9577 TIMING: 3948800 CPU: 12802.8, 0.00312644/step Wall: 12802.8, 0.00312644/step, 0.912921 hours remaining, 236.234375 MB of memory in use. ENERGY: 3948800 3946.5686 20229.6842 14451.8147 244.8024 -203090.4102 2577.4925 0.0000 0.0000 52110.0593 -109529.9885 299.4772 -161640.0478 -109153.1666 299.4928 119.5970 149.2473 761839.5011 -17.1785 -17.3217 PRESSURE: 3949000 233.965 -408.248 196.352 -408.248 285.459 39.7424 196.352 39.7431 206.553 GPRESSURE: 3949000 173.475 -267.087 152.886 -236.658 467.356 146.493 276.121 5.37315 167.703 PRESSAVG: 3949000 18.976 -58.4649 -1.97267 -58.4649 17.9369 23.047 -1.9726 23.047 16.9669 GPRESSAVG: 3949000 20.4294 -57.1928 -2.06772 -57.6293 17.3637 24.5457 -3.21513 23.3681 16.3918 TIMING: 3949000 CPU: 12803.4, 0.003124/step Wall: 12803.4, 0.003124/step, 0.912035 hours remaining, 236.234375 MB of memory in use. ENERGY: 3949000 4031.6223 20462.6804 14458.7380 237.3101 -203600.0114 2927.0037 0.0000 0.0000 52038.2300 -109444.4269 299.0644 -161482.6569 -109087.8022 298.7740 241.9924 269.5111 761023.4130 17.9600 18.0616 PRESSURE: 3949200 -206.171 -109.801 138.919 -109.802 2.23005 50.9202 138.919 50.9196 63.2019 GPRESSURE: 3949200 -280.963 -70.8155 261.323 -166.07 124.651 32.5673 114.136 -99.0045 113.331 PRESSAVG: 3949200 -93.583 -45.8256 11.3815 -45.8256 74.0332 12.4688 11.3814 12.4688 2.27946 GPRESSAVG: 3949200 -94.0217 -46.3385 12.3965 -45.5202 74.6335 11.9985 11.475 11.7961 2.04448 TIMING: 3949200 CPU: 12804, 0.00314071/step Wall: 12804, 0.00314071/step, 0.916739 hours remaining, 236.234375 MB of memory in use. ENERGY: 3949200 3991.2417 20480.1406 14434.8779 244.8176 -203275.8205 2653.8173 0.0000 0.0000 51932.2578 -109538.6676 298.4554 -161470.9254 -109187.2217 299.0672 -46.9129 -14.3272 763101.1021 -5.7568 -5.7812 PRESSURE: 3949400 -224.499 129.175 -102.439 129.175 64.6589 71.6934 -102.439 71.6927 345.205 GPRESSURE: 3949400 -159.997 110.707 -124.563 114.151 58.9324 143.78 -201.653 154.351 346.018 PRESSAVG: 3949400 -36.0679 -43.3776 -23.0447 -43.3775 5.45699 52.1247 -23.0447 52.1247 8.44908 GPRESSAVG: 3949400 -37.2702 -42.2707 -24.0833 -45.276 4.9105 51.718 -22.9006 50.4899 9.03856 TIMING: 3949400 CPU: 12804.7, 0.00313168/step Wall: 12804.7, 0.00313168/step, 0.913928 hours remaining, 236.234375 MB of memory in use. ENERGY: 3949400 3934.6398 20358.5300 14490.5498 233.7876 -203278.8991 2490.6997 0.0000 0.0000 52103.5137 -109667.1786 299.4396 -161770.6923 -109307.2939 298.9766 61.7884 81.6512 761522.5450 -7.3873 -7.7737 PRESSURE: 3949600 133.036 -215.073 -104.09 -215.073 158.475 -61.683 -104.09 -61.6823 -204.615 GPRESSURE: 3949600 148.162 -214.476 24.1558 -190.804 172.36 -105.407 -50.9636 -135.347 -137.263 PRESSAVG: 3949600 -5.14371 -62.1213 -59.4682 -62.1213 -7.47837 0.92368 -59.4681 0.923733 -9.37533 GPRESSAVG: 3949600 -3.31718 -63.1431 -57.0086 -61.8839 -8.27095 1.62772 -60.1316 3.03031 -9.90803 TIMING: 3949600 CPU: 12805.3, 0.00312202/step Wall: 12805.3, 0.00312202/step, 0.910935 hours remaining, 236.234375 MB of memory in use. ENERGY: 3949600 3953.5165 20483.6363 14418.2426 245.5122 -203314.1881 2702.7765 0.0000 0.0000 51996.3794 -109514.1245 298.8239 -161510.5040 -109170.6354 298.7410 28.9652 61.0863 762352.5476 -7.3325 -7.1654 PRESSURE: 3949800 335.216 99.6385 46.995 99.6388 137.829 3.28815 46.9952 3.28787 291.829 GPRESSURE: 3949800 333.995 35.3816 92.6359 140.504 92.3673 -36.8087 -29.6257 13.7071 408.142 PRESSAVG: 3949800 -5.03669 -87.4391 14.2765 -87.4391 47.3279 18.394 14.2765 18.394 -16.9659 GPRESSAVG: 3949800 -4.31062 -85.1478 13.6716 -88.0503 47.3681 18.5793 15.4257 17.4444 -17.246 TIMING: 3949800 CPU: 12805.9, 0.00315308/step Wall: 12805.9, 0.00315308/step, 0.919825 hours remaining, 236.234375 MB of memory in use. ENERGY: 3949800 4012.0231 20474.0656 14486.6621 216.7069 -203431.5639 2731.4724 0.0000 0.0000 52063.5764 -109447.0574 299.2101 -161510.6338 -109089.8592 299.3758 254.9578 278.1683 760427.8288 8.4418 8.6038 PRESSURE: 3950000 15.3175 62.9479 195.865 62.948 422.71 166.194 195.865 166.194 -121.211 GPRESSURE: 3950000 77.0007 76.972 194.513 39.2445 474.919 236.74 165.687 80.824 -156.323 PRESSAVG: 3950000 -5.82651 -38.7346 16.3284 -38.7345 46.8571 36.009 16.3284 36.009 -19.2386 GPRESSAVG: 3950000 -6.42864 -41.5065 17.4235 -38.5795 46.5998 35.9663 15.2694 35.7489 -19.1 TIMING: 3950000 CPU: 12806.5, 0.00313019/step Wall: 12806.5, 0.00313019/step, 0.912971 hours remaining, 236.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3950000 3926.5337 20608.5004 14449.1344 214.9969 -203624.2108 2847.2675 0.0000 0.0000 52072.1761 -109505.6018 299.2595 -161577.7779 -109142.4410 299.0782 105.6055 131.8654 762375.1486 7.2640 7.0237 PRESSURE: 3950200 35.0599 -217.25 -132.076 -217.25 166.159 12.4268 -132.076 12.4275 -31.8212 GPRESSURE: 3950200 29.3387 -335.782 -117.925 -209.859 291.851 -86.9387 -100.369 91.4371 -74.2247 PRESSAVG: 3950200 -36.2819 -23.3646 41.1633 -23.3645 9.49763 -32.2351 41.1633 -32.2351 -5.75691 GPRESSAVG: 3950200 -36.0639 -22.2107 39.5922 -24.0851 7.87486 -34.0793 40.4788 -30.7256 -4.34657 TIMING: 3950200 CPU: 12807.2, 0.00313497/step Wall: 12807.2, 0.00313497/step, 0.914191 hours remaining, 236.234375 MB of memory in use. ENERGY: 3950200 4032.8881 20477.1394 14340.1364 238.4039 -203681.7397 2814.3361 0.0000 0.0000 52082.7005 -109696.1352 299.3200 -161778.8357 -109340.4337 298.8641 56.4658 82.3218 762258.3675 -10.8471 -10.8452 PRESSURE: 3950400 -160.648 -181.278 -50.8449 -181.278 34.8882 -110.18 -50.8446 -110.18 -155.43 GPRESSURE: 3950400 -110.821 -177.9 -82.2073 -186.606 51.1133 -210.258 3.38593 -55.0399 -119.333 PRESSAVG: 3950400 5.1477 -76.8665 -26.2854 -76.8664 -3.16219 -20.9817 -26.2854 -20.9818 -15.2121 GPRESSAVG: 3950400 5.46814 -77.7038 -25.7783 -74.9992 -1.47812 -19.6873 -26.0473 -23.8257 -16.9199 TIMING: 3950400 CPU: 12807.8, 0.00315955/step Wall: 12807.8, 0.00315955/step, 0.921185 hours remaining, 236.234375 MB of memory in use. ENERGY: 3950400 4006.7555 20464.7143 14400.1675 268.3070 -203675.9374 2922.5291 0.0000 0.0000 51889.2119 -109724.2520 298.2080 -161613.4639 -109363.2879 298.6041 -93.7298 -59.6803 763054.4804 -4.4089 -4.3100 PRESSURE: 3950600 -60.2604 -68.8636 -140.653 -68.8626 196.858 -130.269 -140.654 -130.272 158.409 GPRESSURE: 3950600 -62.9136 -18.8897 -52.9964 -103.456 283.549 0.560456 17.718 -142.951 146.4 PRESSAVG: 3950600 44.7952 -89.8909 7.99388 -89.891 -37.4976 -9.94321 7.99387 -9.94324 35.9656 GPRESSAVG: 3950600 44.6532 -90.1337 7.62365 -89.0967 -36.7041 -9.03814 9.42999 -7.85018 34.842 TIMING: 3950600 CPU: 12808.4, 0.00312677/step Wall: 12808.4, 0.00312677/step, 0.911453 hours remaining, 236.234375 MB of memory in use. ENERGY: 3950600 3994.0655 20344.3918 14440.5567 253.5771 -203482.8034 2884.8853 0.0000 0.0000 51943.4679 -109621.8593 298.5198 -161565.3271 -109261.7247 298.3765 98.3354 122.3452 762341.1393 14.4211 14.2637 PRESSURE: 3950800 -136.603 -163.837 -30.042 -163.837 -144.895 -148.795 -30.0428 -148.796 -26.734 GPRESSURE: 3950800 -98.7582 -295.006 -13.3478 -61.0969 -66.8049 -131.881 38.722 -203.214 -48.7609 PRESSAVG: 3950800 33.9703 -72.5828 32.4781 -72.5827 8.78907 -46.0838 32.4782 -46.0838 -5.94082 GPRESSAVG: 3950800 33.5353 -71.3602 32.4331 -73.1845 9.03171 -46.5137 33.1104 -45.7521 -5.73485 TIMING: 3950800 CPU: 12809.1, 0.00312487/step Wall: 12809.1, 0.00312487/step, 0.910726 hours remaining, 236.234375 MB of memory in use. ENERGY: 3950800 3917.1230 20506.8002 14415.3890 271.4407 -202777.0399 2271.2273 0.0000 0.0000 51763.0058 -109632.0538 297.4827 -161395.0596 -109276.6307 298.7966 -102.7439 -71.4413 763151.3835 12.2729 12.2774 PRESSURE: 3951000 218.516 -4.82686 -97.6243 -4.82638 201.828 -85.5646 -97.6229 -85.5656 413.199 GPRESSURE: 3951000 244.226 -1.5127 -109.004 -18.3541 201.376 -151.599 -196.726 -89.1376 470.659 PRESSAVG: 3951000 27.8664 -18.684 65.1036 -18.6839 20.8851 33.3214 65.1036 33.3214 -6.43045 GPRESSAVG: 3951000 27.0482 -18.8211 64.2587 -18.5821 20.4293 32.7768 63.8347 31.7758 -4.92743 TIMING: 3951000 CPU: 12809.7, 0.003121/step Wall: 12809.7, 0.003121/step, 0.909425 hours remaining, 236.234375 MB of memory in use. ENERGY: 3951000 3953.3005 20471.2516 14399.2253 245.1354 -203355.3333 2508.0799 0.0000 0.0000 52175.1241 -109603.2164 299.8512 -161778.3405 -109239.9651 298.9126 277.8479 305.4204 759791.7313 14.1070 14.1834 PRESSURE: 3951200 42.7952 -4.91326 232.276 -4.91188 -533.564 -95.1984 232.276 -95.1982 -374.724 GPRESSURE: 3951200 -34.3265 74.6685 204.069 75.3292 -396.674 -6.86535 24.0854 37.8123 -314.718 PRESSAVG: 3951200 21.8538 -29.1622 21.2525 -29.1621 5.84008 0.692448 21.2525 0.69249 2.6636 GPRESSAVG: 3951200 22.9746 -27.5485 21.2503 -31.1667 5.09816 -0.0286059 20.2741 2.77507 2.0496 TIMING: 3951200 CPU: 12810.3, 0.00313521/step Wall: 12810.3, 0.00313521/step, 0.913392 hours remaining, 236.234375 MB of memory in use. ENERGY: 3951200 3950.2000 20475.8374 14460.8912 254.4059 -203122.2172 2355.2828 0.0000 0.0000 52132.3413 -109493.2586 299.6053 -161625.5999 -109123.9281 299.3217 -288.4973 -248.5729 761440.4368 10.1192 10.0408 PRESSURE: 3951400 -106.493 -76.9986 -179.902 -77 170.74 251.276 -179.903 251.276 -309.96 GPRESSURE: 3951400 -36.4268 -22.5849 -102.706 -98.598 134.831 202.766 -232.708 150.608 -236.576 PRESSAVG: 3951400 -9.07858 -60.3595 7.03648 -60.3595 46.2344 9.29987 7.03651 9.29987 1.28592 GPRESSAVG: 3951400 -10.2579 -64.3639 8.86067 -58.8784 47.6124 10.9328 6.67699 7.89234 0.874206 TIMING: 3951400 CPU: 12810.9, 0.00312919/step Wall: 12810.9, 0.00312919/step, 0.911464 hours remaining, 236.234375 MB of memory in use. ENERGY: 3951400 3900.6567 20517.8656 14420.3739 250.4503 -203248.6239 2512.5131 0.0000 0.0000 52219.7480 -109427.0163 300.1076 -161646.7642 -109060.5657 299.4049 -81.9046 -46.0575 762403.6515 12.8139 12.7429 PRESSURE: 3951600 -131.731 220.833 191.085 220.833 176.358 348.808 191.085 348.81 -36.6083 GPRESSURE: 3951600 -205.217 170.577 269.28 176.049 306.097 381.556 239.812 386.67 -22.6153 PRESSAVG: 3951600 -52.126 -67.7329 0.772754 -67.733 32.4486 -22.2427 0.77282 -22.2426 6.37722 GPRESSAVG: 3951600 -51.7586 -65.7191 0.110869 -69.257 32.1406 -23.6406 2.9425 -22.5333 6.39777 TIMING: 3951600 CPU: 12811.6, 0.00311234/step Wall: 12811.6, 0.00311234/step, 0.906383 hours remaining, 236.234375 MB of memory in use. ENERGY: 3951600 4015.3077 20618.5796 14440.3992 246.6378 -203416.4186 2806.5813 0.0000 0.0000 52156.4022 -109132.5109 299.7436 -161288.9131 -108771.2934 299.5353 2.6732 26.0881 761359.2091 -4.4334 -4.4068 PRESSURE: 3951800 -253.044 70.7313 -160.847 70.7307 -331.516 51.1616 -160.847 51.1622 -46.8978 GPRESSURE: 3951800 -319.477 30.7909 -163.772 95.4123 -244.284 -19.8432 -149.39 134.49 4.82052 PRESSAVG: 3951800 -29.6015 12.7687 -2.1575 12.7687 25.2279 42.3859 -2.15749 42.386 -12.9491 GPRESSAVG: 3951800 -27.6388 12.0521 -1.21728 14.5349 24.6912 43.1669 -3.30741 43.5071 -13.8915 TIMING: 3951800 CPU: 12812.2, 0.00313/step Wall: 12812.2, 0.00313/step, 0.911352 hours remaining, 236.234375 MB of memory in use. ENERGY: 3951800 3995.5243 20663.0768 14461.2520 256.6931 -203091.4370 2342.8313 0.0000 0.0000 52137.5455 -109234.5139 299.6352 -161372.0594 -108870.0662 299.8678 -210.4862 -186.3133 762575.5567 -5.7743 -5.6130 PRESSURE: 3952000 -220.012 61.2483 262.446 61.2481 153.237 -132.033 262.446 -132.033 42.0612 GPRESSURE: 3952000 -141.425 -36.36 242.993 14.2091 77.6247 -68.8553 230.551 -264.618 121.787 PRESSAVG: 3952000 20.802 -11.0173 36.2203 -11.0173 15.432 27.9871 36.2202 27.987 -4.79644 GPRESSAVG: 3952000 19.541 -9.73675 34.4147 -13.062 15.0393 28.1641 36.7938 26.9466 -2.55474 TIMING: 3952000 CPU: 12812.8, 0.00311454/step Wall: 12812.8, 0.00311454/step, 0.906677 hours remaining, 236.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3952000 3955.8881 20519.8229 14497.1367 255.3072 -203246.9564 2537.4351 0.0000 0.0000 51940.8267 -109540.5396 298.5046 -161481.3663 -109183.7949 299.7202 -8.2380 19.3286 761775.5775 10.4792 10.6752 PRESSURE: 3952200 -95.1993 -251.405 -145.28 -251.405 212.984 28.8113 -145.279 28.8115 133.548 GPRESSURE: 3952200 -55.9676 -284.506 -173.722 -267.323 196.77 -0.142647 -60.7755 -49.7635 203.416 PRESSAVG: 3952200 -42.6396 -34.1613 -17.4321 -34.1613 50.1704 2.90466 -17.4321 2.90474 -19.3064 GPRESSAVG: 3952200 -42.0395 -33.5435 -14.5671 -34.0691 51.7535 3.19553 -18.2988 2.53142 -21.2113 TIMING: 3952200 CPU: 12813.4, 0.00312871/step Wall: 12813.4, 0.00312871/step, 0.910629 hours remaining, 236.234375 MB of memory in use. ENERGY: 3952200 4048.3707 20594.5021 14394.1266 258.0111 -203489.5503 2794.4382 0.0000 0.0000 51976.4854 -109423.6162 298.7096 -161400.1016 -109068.8122 298.9175 83.7773 114.7395 760982.9632 -3.9252 -3.8324 LDB: ============= START OF LOAD BALANCING ============== 12825.8 LDB: ============== END OF LOAD BALANCING =============== 12825.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12825.8 LDB: ============= START OF LOAD BALANCING ============== 12826.2 LDB: Largest compute 7031 load 0.032305 is 16.5% of average load 0.195568 LDB: Average compute 0.004399 is 2.2% of average load 0.195568 LDB: TIME 12826.2 LOAD: AVG 0.195568 MAX 0.215623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.281 MB LDB: TIME 12826.2 LOAD: AVG 0.195568 MAX 0.215623 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: TIME 12826.2 LOAD: AVG 0.195568 MAX 0.215623 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: ============== END OF LOAD BALANCING =============== 12826.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12826.2 PRESSURE: 3952400 -220.625 144.462 103.304 144.462 -464.217 134.851 103.304 134.851 -59.9526 GPRESSURE: 3952400 -84.4562 138.16 122.843 -20.9958 -492.08 155.689 38.5155 39.7004 -87.755 PRESSAVG: 3952400 6.82932 -45.223 40.8477 -45.2229 -21.0479 51.5125 40.8477 51.5125 2.6434 GPRESSAVG: 3952400 7.38716 -46.0522 37.5784 -43.9371 -21.6462 50.858 41.166 53.0588 2.234 TIMING: 3952400 CPU: 12814.1, 0.00318449/step Wall: 12814.1, 0.00318449/step, 0.926688 hours remaining, 236.902344 MB of memory in use. ENERGY: 3952400 4059.2159 20542.4777 14396.1903 263.4136 -203536.6033 2414.6485 0.0000 0.0000 52088.0188 -109772.6385 299.3506 -161860.6573 -109412.5141 299.3861 -248.2651 -221.4306 762367.8926 -3.8584 -4.0083 PRESSURE: 3952600 15.3111 16.5053 -160.128 16.5061 -218.934 -138.409 -160.128 -138.411 -291.349 GPRESSURE: 3952600 -16.9718 0.550464 -158.175 -105.676 -125.466 -66.0698 -184.308 -38.6017 -263.709 PRESSAVG: 3952600 35.7156 -85.9888 -2.58617 -85.9887 -16.4533 -30.379 -2.58616 -30.3789 1.30776 GPRESSAVG: 3952600 34.9735 -86.4519 -1.78606 -86.6828 -16.5091 -29.8957 -2.28419 -29.942 1.65368 TIMING: 3952600 CPU: 12814.7, 0.00310757/step Wall: 12814.7, 0.00310757/step, 0.904129 hours remaining, 236.972656 MB of memory in use. ENERGY: 3952600 3931.3652 20509.7002 14389.8640 265.8232 -203504.7939 2611.6411 0.0000 0.0000 52009.1154 -109787.2848 298.8971 -161796.4002 -109420.0323 298.8507 -164.9906 -135.3821 762573.9965 6.8567 6.7060 PRESSURE: 3952800 -25.984 -13.6235 -49.4575 -13.6245 387.253 133.178 -49.4575 133.179 21.0363 GPRESSURE: 3952800 55.6672 -66.9602 -83.3217 104.932 358.705 111.984 -29.8996 -23.113 57.7668 PRESSAVG: 3952800 -23.9939 -71.6165 -58.4439 -71.6165 19.9398 -36.7876 -58.444 -36.7876 2.60648 GPRESSAVG: 3952800 -23.6264 -69.8281 -58.432 -70.2702 19.8104 -36.7384 -59.2636 -37.5984 3.14547 TIMING: 3952800 CPU: 12815.3, 0.00310998/step Wall: 12815.3, 0.00310998/step, 0.904659 hours remaining, 236.972656 MB of memory in use. ENERGY: 3952800 4069.9490 20628.8252 14333.9677 238.2465 -203560.5272 2760.4439 0.0000 0.0000 51889.2969 -109639.7980 298.2085 -161529.0949 -109287.5169 298.6718 127.4351 157.3795 760964.9244 -0.4825 -0.2235 PRESSURE: 3953000 -68.4844 122.933 13.2139 122.933 -79.8571 46.2268 13.2142 46.2265 -181.658 GPRESSURE: 3953000 -68.3996 156.553 41.9892 64.2319 -17.0536 74.6934 -25.2547 -70.6221 -154.596 PRESSAVG: 3953000 -28.8674 -28.675 -25.7093 -28.6749 0.836453 16.2382 -25.7094 16.2382 -15.656 GPRESSAVG: 3953000 -28.6159 -28.5716 -26.937 -29.0727 0.505372 16.3261 -25.3392 15.9357 -15.7525 TIMING: 3953000 CPU: 12815.9, 0.00311367/step Wall: 12815.9, 0.00311367/step, 0.905559 hours remaining, 236.972656 MB of memory in use. ENERGY: 3953000 4069.4803 20476.3360 14354.8109 253.9403 -203668.4083 2770.4432 0.0000 0.0000 51870.1896 -109873.2079 298.0987 -161743.3974 -109513.6037 298.8865 -109.9997 -80.0164 761003.9325 -14.5623 -14.6210 PRESSURE: 3953200 213.555 20.5069 -11.3097 20.507 292.57 -331.832 -11.3103 -331.832 99.575 GPRESSURE: 3953200 298.603 -143.671 70.1959 140.824 301.678 -373.222 -160.01 -97.8246 94.6535 PRESSAVG: 3953200 -82.1466 -66.0896 12.8861 -66.0895 68.7466 -1.22444 12.8862 -1.22444 -5.86469 GPRESSAVG: 3953200 -81.7148 -67.6934 13.8848 -66.1146 68.3587 -2.43288 13.3462 1.34812 -6.29463 TIMING: 3953200 CPU: 12816.6, 0.0031099/step Wall: 12816.6, 0.0031099/step, 0.904291 hours remaining, 236.972656 MB of memory in use. ENERGY: 3953200 3995.3947 20483.1537 14395.3131 267.4098 -203540.8061 2687.1191 0.0000 0.0000 52054.3997 -109658.0158 299.1574 -161712.4155 -109298.7192 298.7076 201.8998 231.6449 760488.5929 -6.4216 -6.5502 PRESSURE: 3953400 -182.222 -128.989 -111.859 -128.99 -252.532 235.796 -111.859 235.797 -190.818 GPRESSURE: 3953400 -230.814 -19.2748 -190.968 -114.25 -103.011 280.824 -132.877 168.727 -193.327 PRESSAVG: 3953400 -8.80102 -76.1811 -39.8633 -76.1811 13.1003 -5.83646 -39.8633 -5.83645 28.6467 GPRESSAVG: 3953400 -10.8233 -74.5499 -39.0152 -74.8755 14.813 -4.80224 -41.7497 -7.60718 29.4496 TIMING: 3953400 CPU: 12817.2, 0.00310808/step Wall: 12817.2, 0.00310808/step, 0.903587 hours remaining, 236.972656 MB of memory in use. ENERGY: 3953400 3987.8407 20501.5265 14462.8262 255.0213 -203348.4954 2459.6573 0.0000 0.0000 52083.8339 -109597.7894 299.3265 -161681.6233 -109234.0060 299.3403 -208.5242 -175.7173 761519.0061 10.9820 11.1464 PRESSURE: 3953600 48.254 -77.071 69.0339 -77.0721 -135.362 44.0341 69.0338 44.0344 150.361 GPRESSURE: 3953600 129.778 45.262 98.2929 25.098 -130.109 2.14075 214.134 -13.5644 142.114 PRESSAVG: 3953600 -9.67386 -45.6269 -37.6424 -45.6269 -21.7119 26.4713 -37.6425 26.4712 -23.9982 GPRESSAVG: 3953600 -8.10358 -45.1688 -36.601 -48.9261 -21.9521 27.2905 -35.5754 25.4697 -25.4554 TIMING: 3953600 CPU: 12817.8, 0.0031236/step Wall: 12817.8, 0.0031236/step, 0.907926 hours remaining, 237.167969 MB of memory in use. ENERGY: 3953600 4001.1441 20530.9719 14401.5016 260.6660 -203734.5912 2911.0311 0.0000 0.0000 52146.7302 -109482.5463 299.6880 -161629.2765 -109119.9534 299.0915 21.0845 47.2608 762008.4358 -18.4613 -18.5037 PRESSURE: 3953800 -451.494 -26.6066 108.728 -26.6067 43.3925 -52.2641 108.728 -52.2642 -227.911 GPRESSURE: 3953800 -391.563 10.1701 52.1325 -13.5336 104.333 -16.2991 48.4305 113.576 -246.365 PRESSAVG: 3953800 -39.0574 -35.6944 -16.0123 -35.6944 20.9157 16.3369 -16.0123 16.337 20.7765 GPRESSAVG: 3953800 -39.7687 -38.4709 -16.6256 -32.6682 20.8788 17.041 -16.0997 16.5874 21.6549 TIMING: 3953800 CPU: 12818.4, 0.00311732/step Wall: 12818.4, 0.00311732/step, 0.905929 hours remaining, 237.167969 MB of memory in use. ENERGY: 3953800 3979.4266 20771.0934 14490.1867 252.1838 -203606.1420 2438.2909 0.0000 0.0000 52066.3132 -109608.6474 299.2258 -161674.9606 -109240.3265 299.1682 -212.0042 -177.8649 761379.8712 0.8783 0.9217 PRESSURE: 3954000 176.424 76.3181 145.934 76.319 191.589 -71.6302 145.935 -71.6308 45.964 GPRESSURE: 3954000 277.116 137.379 186.988 59.9999 203.706 -67.1267 101.081 -209.756 25.8984 PRESSAVG: 3954000 -32.3579 -3.72353 -61.1629 -3.72353 54.9641 46.0114 -61.1628 46.0115 1.86443 GPRESSAVG: 3954000 -31.7722 -3.51048 -61.0695 -3.937 53.5833 44.8585 -62.0077 47.1697 2.53615 TIMING: 3954000 CPU: 12819, 0.00313004/step Wall: 12819, 0.00313004/step, 0.909451 hours remaining, 237.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3954000 4017.5552 20658.6837 14476.1642 237.0335 -203718.6487 2799.4806 0.0000 0.0000 52048.5227 -109481.2089 299.1236 -161529.7316 -109117.3259 299.6831 137.9921 168.9069 760835.7725 8.1569 8.1158 PRESSURE: 3954200 15.1695 -101.231 17.776 -101.231 44.9001 47.4502 17.7759 47.4513 93.157 GPRESSURE: 3954200 51.9755 -23.6258 6.44489 -87.0336 65.0186 32.0771 -40.5525 -33.4891 125.632 PRESSAVG: 3954200 32.5641 -43.5269 11.0734 -43.5269 -52.4315 29.8855 11.0735 29.8855 5.16832 GPRESSAVG: 3954200 31.8387 -45.6179 10.9333 -42.1858 -52.2053 29.3737 10.5405 25.606 5.9797 TIMING: 3954200 CPU: 12819.7, 0.00311775/step Wall: 12819.7, 0.00311775/step, 0.905706 hours remaining, 237.167969 MB of memory in use. ENERGY: 3954200 4056.5653 20461.5026 14434.4005 235.0674 -203772.2556 2545.6615 0.0000 0.0000 52413.5258 -109625.5326 301.2213 -162039.0584 -109256.6033 299.7297 51.0755 80.8755 760231.1071 -4.8997 -4.7956 PRESSURE: 3954400 -147.57 -232.931 -159.44 -232.93 -354.214 91.7676 -159.439 91.7674 -148.718 GPRESSURE: 3954400 -105.056 -184.596 -90.6556 -119.288 -291.272 -7.42234 -197.854 113.504 -178.478 PRESSAVG: 3954400 21.2455 -21.6395 -5.35262 -21.6396 -25.0779 24.2191 -5.35261 24.2191 -10.23 GPRESSAVG: 3954400 21.6721 -18.014 -5.53445 -23.6539 -24.1633 23.8323 -5.33393 26.5228 -11.3008 TIMING: 3954400 CPU: 12820.3, 0.00309976/step Wall: 12820.3, 0.00309976/step, 0.900308 hours remaining, 237.167969 MB of memory in use. ENERGY: 3954400 3986.9151 20671.9648 14401.4673 226.2214 -202839.1331 2329.9756 0.0000 0.0000 51483.6375 -109738.9516 295.8772 -161222.5890 -109384.9806 298.7266 -216.8343 -191.6020 761738.0733 -4.6874 -4.5973 PRESSURE: 3954600 -238.437 -70.0586 33.2111 -70.0592 -351.095 152.535 33.2113 152.535 55.4815 GPRESSURE: 3954600 -172.688 25.6576 78.6333 -2.79747 -284.606 92.1418 -73.4885 150.479 26.8724 PRESSAVG: 3954600 31.2485 -60.9574 29.9378 -60.9574 24.0398 27.0495 29.9378 27.0494 20.705 GPRESSAVG: 3954600 30.8113 -60.42 28.867 -61.0544 24.2012 27.387 29.6805 29.1136 21.2709 TIMING: 3954600 CPU: 12820.9, 0.00310872/step Wall: 12820.9, 0.00310872/step, 0.902737 hours remaining, 237.167969 MB of memory in use. ENERGY: 3954600 3979.2986 20513.9436 14486.4950 255.3375 -203171.1045 2294.3048 0.0000 0.0000 51946.2068 -109695.5182 298.5356 -161641.7250 -109335.2975 298.9349 -178.0167 -143.4738 762168.6314 25.3311 25.4278 PRESSURE: 3954800 157.659 -198.108 -30.0371 -198.107 -445.258 123.317 -30.0373 123.317 -198.392 GPRESSURE: 3954800 144.6 -134.53 -57.8756 -147.014 -392.946 148.586 -189.921 63.3869 -146.481 PRESSAVG: 3954800 -24.0352 -55.7688 -7.53798 -55.7687 -12.3698 40.0504 -7.53803 40.0504 6.33652 GPRESSAVG: 3954800 -24.0381 -54.6191 -7.48142 -58.2189 -12.7086 39.9126 -7.91257 39.8621 5.8461 TIMING: 3954800 CPU: 12821.5, 0.00310559/step Wall: 12821.5, 0.00310559/step, 0.901655 hours remaining, 237.167969 MB of memory in use. ENERGY: 3954800 3904.0562 20643.8569 14561.3725 265.8786 -203571.5376 2660.8863 0.0000 0.0000 51817.3224 -109718.1647 297.7949 -161535.4871 -109364.9964 298.6951 -161.9971 -131.6089 762829.6091 -10.0228 -10.3002 PRESSURE: 3955000 1.08867 -132.06 106.058 -132.06 -89.4849 -5.67354 106.058 -5.67427 -551.509 GPRESSURE: 3955000 -21.0986 12.135 43.4472 -107.336 -67.873 41.9953 1.27096 -83.3073 -458.299 PRESSAVG: 3955000 -20.4347 -36.3562 -16.0018 -36.3563 -12.4137 36.0297 -16.0018 36.0297 -6.58982 GPRESSAVG: 3955000 -21.0516 -37.6946 -15.841 -33.1907 -12.4382 37.1146 -15.5361 34.6462 -6.13214 TIMING: 3955000 CPU: 12822.2, 0.00312319/step Wall: 12822.2, 0.00312319/step, 0.906593 hours remaining, 237.167969 MB of memory in use. ENERGY: 3955000 3974.7878 20406.3641 14413.2595 241.2294 -203330.6300 2389.5218 0.0000 0.0000 52061.7576 -109843.7097 299.1996 -161905.4673 -109472.8201 298.6273 -213.3016 -182.4236 761214.6554 -13.1461 -13.2073 PRESSURE: 3955200 -477.302 -21.5565 -105.666 -21.5555 -244.265 -25.0119 -105.667 -25.0124 -64.0919 GPRESSURE: 3955200 -420.573 -51.7623 -109.973 -117.126 -187.73 16.2468 -182.518 51.4925 -86.7099 PRESSAVG: 3955200 21.0871 -50.5094 -44.5349 -50.5095 -33.0675 56.155 -44.5349 56.155 -8.78586 GPRESSAVG: 3955200 21.8784 -52.7984 -44.0129 -50.8568 -33.2361 54.9353 -45.1365 58.1639 -8.85218 TIMING: 3955200 CPU: 12822.8, 0.00310997/step Wall: 12822.8, 0.00310997/step, 0.902582 hours remaining, 237.167969 MB of memory in use. ENERGY: 3955200 3974.4379 20285.6828 14460.7573 248.8159 -202988.9173 2349.9672 0.0000 0.0000 52066.7715 -109602.4848 299.2285 -161669.2563 -109236.1107 298.7181 -261.8865 -231.6709 762648.7654 -6.9221 -6.7366 PRESSURE: 3955400 -109.938 -203.002 23.2732 -203.002 -95.8679 -4.28105 23.2733 -4.28082 -145.089 GPRESSURE: 3955400 -47.2308 -256.503 75.5858 -228.409 -87.1098 18.6082 115.837 -147.326 -131.081 PRESSAVG: 3955400 4.19243 -37.4445 3.29762 -37.4444 18.7637 11.1328 3.29766 11.1328 -1.75571 GPRESSAVG: 3955400 5.41958 -35.4368 4.70161 -37.6974 17.7044 13.355 3.48084 11.5273 -1.83078 TIMING: 3955400 CPU: 12823.4, 0.00310709/step Wall: 12823.4, 0.00310709/step, 0.901575 hours remaining, 237.167969 MB of memory in use. ENERGY: 3955400 3961.3226 20586.6592 14435.0237 257.4632 -203404.6904 2411.8109 0.0000 0.0000 52193.0129 -109559.3979 299.9540 -161752.4108 -109197.4606 299.0936 -116.9651 -88.4738 760608.5055 7.0668 7.0977 PRESSURE: 3955600 152.966 3.64554 -177.295 3.64595 50.2396 93.7284 -177.296 93.729 -135.82 GPRESSURE: 3955600 133.198 66.1474 -155.45 -6.77925 118.005 111.358 -20.9386 145.669 -46.4419 PRESSAVG: 3955600 -9.13356 -62.203 8.37513 -62.203 -31.3235 -15.773 8.37515 -15.773 -16.8452 GPRESSAVG: 3955600 -9.88236 -60.8548 8.15113 -61.9309 -30.058 -17.3739 9.15426 -14.1859 -16.4442 TIMING: 3955600 CPU: 12824, 0.00309503/step Wall: 12824, 0.00309503/step, 0.897904 hours remaining, 237.167969 MB of memory in use. ENERGY: 3955600 4007.6724 20465.9821 14428.8016 242.3837 -203687.5367 2768.2106 0.0000 0.0000 52201.0195 -109573.4669 300.0000 -161774.4864 -109206.4632 299.0865 22.4618 68.2539 759674.6627 -19.1008 -18.7948 PRESSURE: 3955800 -13.5913 -28.8125 389.923 -28.8118 95.4079 23.9449 389.922 23.9444 -285.997 GPRESSURE: 3955800 8.63961 -65.8541 285.415 52.931 129.014 4.80586 332.305 11.5366 -251.039 PRESSAVG: 3955800 30.5598 -51.0002 22.609 -51.0002 34.7194 49.0301 22.609 49.0302 -9.19798 GPRESSAVG: 3955800 31.3816 -50.4338 21.6149 -51.7276 33.8923 49.499 24.1854 45.9094 -9.67646 TIMING: 3955800 CPU: 12824.6, 0.00311619/step Wall: 12824.6, 0.00311619/step, 0.903869 hours remaining, 237.167969 MB of memory in use. ENERGY: 3955800 4028.7151 20599.0951 14452.4330 253.1515 -203602.6728 2862.0515 0.0000 0.0000 51861.2098 -109546.0168 298.0471 -161407.2267 -109188.0332 298.9765 -68.0600 -37.7954 760034.5106 18.6937 18.5325 PRESSURE: 3956000 -98.7312 -91.7441 -137.365 -91.7437 -375.921 -202.277 -137.366 -202.277 -256.903 GPRESSURE: 3956000 -67.6716 -113.031 -80.6431 -12.8932 -340.441 -224.71 -179.063 -343.266 -241.526 PRESSAVG: 3956000 28.2961 -57.0435 -12.3786 -57.0436 -10.2554 -20.4445 -12.3787 -20.4445 7.72222 GPRESSAVG: 3956000 29.627 -58.3534 -13.02 -55.5719 -10.525 -22.4622 -14.315 -19.6545 6.85723 TIMING: 3956000 CPU: 12825.3, 0.00310393/step Wall: 12825.3, 0.00310393/step, 0.900138 hours remaining, 237.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3956000 4028.4262 20592.4652 14466.4336 258.9976 -203542.4642 2518.1179 0.0000 0.0000 51928.9642 -109749.0594 298.4365 -161678.0236 -109397.6583 299.2154 -243.8520 -216.5460 758608.5288 8.5876 8.6531 PRESSURE: 3956200 421.676 86.297 22.9397 86.2964 -81.9111 -138.882 22.9397 -138.881 42.8564 GPRESSURE: 3956200 411.317 -34.5504 92.0308 48.6321 1.69432 -169.38 30.2331 -98.2675 52.1925 PRESSAVG: 3956200 44.0541 30.2419 7.75057 30.2419 -63.4756 27.8062 7.75056 27.8062 -10.561 GPRESSAVG: 3956200 42.9255 30.1808 7.91246 28.1913 -62.4131 29.2993 7.57601 28.5035 -9.98699 TIMING: 3956200 CPU: 12825.9, 0.00311753/step Wall: 12825.9, 0.00311753/step, 0.903912 hours remaining, 237.167969 MB of memory in use. ENERGY: 3956200 3993.5966 20653.2801 14479.3891 254.0469 -203573.2489 2829.1535 0.0000 0.0000 52014.9117 -109348.8710 298.9304 -161363.7827 -108996.0206 299.1501 127.5405 155.0681 760259.6985 -9.9941 -9.8248 LDB: ============= START OF LOAD BALANCING ============== 12838.3 LDB: ============== END OF LOAD BALANCING =============== 12838.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12838.3 LDB: ============= START OF LOAD BALANCING ============== 12838.6 LDB: Largest compute 7031 load 0.030454 is 15.6% of average load 0.195636 LDB: Average compute 0.004414 is 2.3% of average load 0.195636 LDB: TIME 12838.6 LOAD: AVG 0.195636 MAX 0.215035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 12838.6 LOAD: AVG 0.195636 MAX 0.215035 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 12838.6 LOAD: AVG 0.195636 MAX 0.215035 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 12838.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12838.6 PRESSURE: 3956400 -232.169 -41.4634 184.885 -41.4633 178.916 254.397 184.885 254.397 35.9678 GPRESSURE: 3956400 -179.164 21.066 216.718 131.603 187.967 233.718 126.224 79.3163 51.6939 PRESSAVG: 3956400 84.8576 -7.60385 11.2514 -7.6038 -50.9539 -31.5564 11.2513 -31.5564 -5.33586 GPRESSAVG: 3956400 84.0169 -7.06129 10.9345 -7.33421 -52.2147 -32.5034 9.78458 -32.2956 -3.78782 TIMING: 3956400 CPU: 12826.5, 0.00317505/step Wall: 12826.5, 0.00317504/step, 0.920409 hours remaining, 234.113281 MB of memory in use. ENERGY: 3956400 3914.1938 20535.2370 14403.1230 252.8099 -203109.3439 2665.9776 0.0000 0.0000 52133.8023 -109204.2003 299.6137 -161338.0026 -108833.0601 300.0271 -5.7617 20.1655 761034.3210 9.5226 9.3382 PRESSURE: 3956600 -51.0845 -90.4457 -76.2286 -90.4463 -453.081 -43.146 -76.2281 -43.1457 -87.0836 GPRESSURE: 3956600 -42.2402 -94.5157 -104.371 -55.0692 -402.981 53.7178 89.9914 -59.3454 -53.1773 PRESSAVG: 3956600 73.9589 41.8605 -5.69252 41.8606 -104.64 -9.14075 -5.69245 -9.1407 -5.02845 GPRESSAVG: 3956600 75.017 40.814 -3.80374 41.3918 -103.774 -9.11272 -4.06239 -7.84243 -6.38951 TIMING: 3956600 CPU: 12827.1, 0.00312084/step Wall: 12827.1, 0.00312084/step, 0.904525 hours remaining, 234.113281 MB of memory in use. ENERGY: 3956600 4038.0844 20525.5149 14303.1557 252.6032 -203028.9025 2448.5847 0.0000 0.0000 52306.7210 -109154.2388 300.6074 -161460.9598 -108786.0002 300.0829 -197.0830 -166.1327 760467.4842 -11.9032 -11.7155 PRESSURE: 3956800 -194.984 -167.729 28.1121 -167.73 -84.7195 -147.68 28.1121 -147.68 91.4294 GPRESSURE: 3956800 -108.035 -119.355 57.6768 -68.5609 -112.467 -118.44 -25.0556 -204.82 131.623 PRESSAVG: 3956800 83.9633 -21.9387 -0.747654 -21.9387 -65.64 4.46246 -0.747576 4.46256 13.336 GPRESSAVG: 3956800 82.6172 -20.7896 -2.1455 -21.9601 -65.187 5.06256 -1.48621 2.35858 13.6927 TIMING: 3956800 CPU: 12827.8, 0.00310997/step Wall: 12827.8, 0.00310997/step, 0.9012 hours remaining, 234.113281 MB of memory in use. ENERGY: 3956800 3972.8451 20659.8661 14490.3771 237.9547 -202815.3556 2301.4091 0.0000 0.0000 52228.1589 -108924.7446 300.1559 -161152.9035 -108555.0432 300.1624 -62.7581 -29.6265 761320.9223 10.5531 10.3743 PRESSURE: 3957000 140.043 141.21 33.67 141.211 -71.8736 -22.4143 33.6701 -22.4142 -106.531 GPRESSURE: 3957000 227.658 225.41 80.2761 120.022 -14.086 -59.0538 130.72 11.0918 -156.697 PRESSAVG: 3957000 47.9738 -13.4696 2.53009 -13.4696 -43.3559 0.288449 2.53006 0.288467 13.0315 GPRESSAVG: 3957000 48.2945 -14.9046 3.9774 -11.737 -43.5402 -1.1602 3.35826 0.0533049 12.777 TIMING: 3957000 CPU: 12828.4, 0.00311768/step Wall: 12828.4, 0.00311768/step, 0.90326 hours remaining, 234.113281 MB of memory in use. ENERGY: 3957000 4070.1988 20419.7007 14457.9277 277.6265 -202971.0082 2523.8908 0.0000 0.0000 52276.2578 -108945.4059 300.4324 -161221.6637 -108585.2404 300.3391 -12.7872 18.9583 761003.9791 5.8831 5.8438 PRESSURE: 3957200 -194.756 -47.7571 244.966 -47.758 116.887 92.8993 244.966 92.899 484.088 GPRESSURE: 3957200 -40.5919 -69.6437 224.67 20.2961 155.245 118.504 52.6634 -29.7479 395.584 PRESSAVG: 3957200 86.1182 -54.9402 -0.634555 -54.9401 -34.1706 -19.9878 -0.634526 -19.9878 13.3331 GPRESSAVG: 3957200 86.0232 -51.8656 -1.24374 -54.6949 -34.0462 -18.2508 -1.26807 -17.5731 13.4548 TIMING: 3957200 CPU: 12829, 0.00311405/step Wall: 12829, 0.00311405/step, 0.902036 hours remaining, 234.113281 MB of memory in use. ENERGY: 3957200 3985.2755 20625.6213 14401.3269 269.9264 -203215.9157 2777.2627 0.0000 0.0000 52152.2979 -109004.2051 299.7200 -161156.5029 -108646.9717 300.5139 135.4063 170.0790 760102.8544 21.7602 21.8106 PRESSURE: 3957400 22.1049 -49.4867 11.0605 -49.4865 -6.37841 -74.0733 11.0611 -74.0734 435.407 GPRESSURE: 3957400 107.444 -46.3867 -58.4425 -79.2519 -3.17065 -81.9426 132.618 -56.7832 432.524 PRESSAVG: 3957400 83.4455 17.5119 -9.68786 17.512 -69.1712 -59.107 -9.68788 -59.107 -9.38214 GPRESSAVG: 3957400 82.2298 15.1116 -11.2365 16.5257 -67.4672 -58.9748 -8.85056 -59.7473 -9.88685 TIMING: 3957400 CPU: 12829.6, 0.00311151/step Wall: 12829.6, 0.00311151/step, 0.901128 hours remaining, 234.113281 MB of memory in use. ENERGY: 3957400 3892.1590 20403.7525 14431.6548 248.7393 -202749.2692 2530.9422 0.0000 0.0000 52345.4151 -108896.6064 300.8298 -161242.0215 -108524.8292 300.4787 150.3779 178.9327 762981.3111 1.6307 1.6253 PRESSURE: 3957600 -99.2298 -77.8879 6.26645 -77.8874 23.6265 33.3595 6.26637 33.3589 336.853 GPRESSURE: 3957600 -93.7753 12.6793 50.9542 -51.3248 57.0939 49.4435 -92.878 -59.2198 385.828 PRESSAVG: 3957600 -47.3724 -8.95195 -32.2701 -8.95193 25.2166 2.8245 -32.2702 2.82449 -3.14171 GPRESSAVG: 3957600 -46.1927 -9.33561 -30.4493 -8.9608 23.9175 1.67304 -32.6803 3.11984 -3.37209 TIMING: 3957600 CPU: 12830.3, 0.00310522/step Wall: 12830.3, 0.00310522/step, 0.899135 hours remaining, 234.113281 MB of memory in use. ENERGY: 3957600 3918.9921 20493.1137 14441.6586 265.8953 -202940.2310 2658.8337 0.0000 0.0000 52184.9703 -108976.7673 299.9077 -161161.7376 -108600.1982 300.3277 87.0831 116.3823 762689.5102 -8.4325 -8.5491 PRESSURE: 3957800 96.6648 50.8012 -176.736 50.8007 13.8268 60.9622 -176.736 60.9619 -335.169 GPRESSURE: 3957800 144.541 -34.7548 -178.307 60.5016 37.1265 58.6834 -146.02 80.9158 -353.271 PRESSAVG: 3957800 4.66244 -19.2621 -89.4661 -19.2621 -33.9903 -57.5597 -89.4661 -57.5597 -6.87524 GPRESSAVG: 3957800 4.34351 -22.7764 -89.3898 -18.9591 -32.8523 -58.3066 -90.5679 -56.3647 -7.41775 TIMING: 3957800 CPU: 12830.9, 0.00310832/step Wall: 12830.9, 0.00310832/step, 0.899858 hours remaining, 234.113281 MB of memory in use. ENERGY: 3957800 3897.6858 20586.6164 14472.8457 253.5391 -202999.4108 2520.7962 0.0000 0.0000 52071.6872 -109196.2405 299.2567 -161267.9277 -108837.6205 299.4890 -74.8924 -57.2012 761558.9556 -12.0677 -11.9755 PRESSURE: 3958000 -21.0779 -25.4263 76.6909 -25.4265 121.001 33.3962 76.6899 33.3968 -135.688 GPRESSURE: 3958000 69.1211 -157.722 110.505 74.5061 28.6203 -40.9837 52.6232 150.047 -53.3459 PRESSAVG: 3958000 18.1539 -30.499 -32.2962 -30.499 -25.0702 -5.83807 -32.2962 -5.83811 15.2144 GPRESSAVG: 3958000 18.7041 -27.1002 -31.6488 -31.637 -27.3383 -5.16232 -32.559 -6.82026 17.1467 TIMING: 3958000 CPU: 12831.5, 0.00310676/step Wall: 12831.5, 0.00310676/step, 0.899235 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3958000 3888.5734 20515.4885 14420.9416 249.3586 -202835.7415 2310.3304 0.0000 0.0000 51918.3320 -109532.7169 298.3754 -161451.0489 -109172.0416 298.9967 -11.9219 14.7985 762155.5792 2.7660 2.8375 PRESSURE: 3958200 -322.881 33.2811 58.9718 33.2823 195.565 -149.973 58.9722 -149.972 -356.589 GPRESSURE: 3958200 -181.58 82.401 42.0494 41.7893 97.4784 -151.892 52.7294 -210.499 -341.157 PRESSAVG: 3958200 4.46268 21.8092 34.1581 21.8092 19.2551 -28.1165 34.1581 -28.1165 12.066 GPRESSAVG: 3958200 5.86759 21.1165 32.3955 22.7248 18.6767 -28.5715 36.0031 -30.2166 11.0157 TIMING: 3958200 CPU: 12832.1, 0.00311625/step Wall: 12832.1, 0.00311625/step, 0.901808 hours remaining, 234.113281 MB of memory in use. ENERGY: 3958200 3947.8350 20469.5682 14415.3306 256.0502 -203361.3719 2587.4020 0.0000 0.0000 52139.2311 -109545.9549 299.6449 -161685.1860 -109191.2667 298.7460 -161.3014 -141.7529 762024.3309 11.9279 11.8533 PRESSURE: 3958400 -277.928 74.1454 -58.7513 74.1456 -265.033 -97.9921 -58.7509 -97.9915 -346.598 GPRESSURE: 3958400 -216.243 222.241 -5.79455 51.0907 -194.905 -112.491 -187.816 -94.7806 -393.688 PRESSAVG: 3958400 -43.9329 36.3619 35.7984 36.3618 31.0414 -17.3771 35.7984 -17.3771 -20.0936 GPRESSAVG: 3958400 -44.3547 36.5928 36.3009 36.4121 30.4574 -16.0972 34.3496 -15.5873 -19.6735 TIMING: 3958400 CPU: 12832.7, 0.00311578/step Wall: 12832.7, 0.00311578/step, 0.901498 hours remaining, 234.113281 MB of memory in use. ENERGY: 3958400 3963.6210 20505.1357 14463.0170 241.3750 -203452.1148 2727.6347 0.0000 0.0000 51942.3987 -109608.9326 298.5137 -161551.3313 -109248.4480 298.8054 -296.5198 -268.2784 762957.8355 -10.9951 -11.1903 PRESSURE: 3958600 -408.961 -49.8178 -196.546 -49.8181 -507.257 -168.04 -196.546 -168.04 -19.3317 GPRESSURE: 3958600 -342.319 46.9437 -133.842 -202.203 -403.433 -199.931 -146.01 36.2443 -79.9166 PRESSAVG: 3958600 1.96139 9.02504 10.4768 9.02506 3.71645 0.425524 10.4768 0.425524 -29.8228 GPRESSAVG: 3958600 1.01575 9.48927 10.6229 7.77719 5.46823 0.0520462 8.66606 1.13069 -30.5384 TIMING: 3958600 CPU: 12833.4, 0.00312313/step Wall: 12833.4, 0.00312313/step, 0.903451 hours remaining, 234.113281 MB of memory in use. ENERGY: 3958600 4013.5374 20690.2076 14410.1859 221.9601 -202902.9862 2165.3388 0.0000 0.0000 52170.4402 -109231.3163 299.8242 -161401.7564 -108877.1893 299.2945 -311.8498 -275.2227 761444.6219 -8.0483 -8.0181 PRESSURE: 3958800 28.0754 77.1623 51.1015 77.1622 -44.9861 -34.8085 51.1025 -34.8081 451.954 GPRESSURE: 3958800 -16.6558 121.53 91.5882 210.75 116.003 -43.3831 88.6133 -77.7714 411.067 PRESSAVG: 3958800 -42.8456 58.2414 -5.93639 58.2414 20.1445 -8.9778 -5.93642 -8.97781 23.2195 GPRESSAVG: 3958800 -43.0414 58.4828 -5.3149 59.5749 18.9147 -9.85528 -4.4212 -10.6936 23.8574 TIMING: 3958800 CPU: 12834, 0.00311898/step Wall: 12834, 0.00311898/step, 0.902078 hours remaining, 234.113281 MB of memory in use. ENERGY: 3958800 3991.3731 20615.3325 14510.4415 256.3548 -203313.8110 2779.4754 0.0000 0.0000 51841.8434 -109318.9904 297.9358 -161160.8338 -108967.6797 299.6714 145.0146 170.1379 760752.7182 0.1728 -0.0898 PRESSURE: 3959000 -83.3348 -21.5535 -382.884 -21.5533 -323.095 -104.077 -382.885 -104.077 -145.357 GPRESSURE: 3959000 -45.0711 5.32766 -380.346 -120.014 -266.914 -179.882 -262.069 10.8385 -130.668 PRESSAVG: 3959000 -7.16974 0.444872 -14.1857 0.44489 -4.82989 -35.8504 -14.1856 -35.8503 -3.74904 GPRESSAVG: 3959000 -7.0214 1.37951 -14.3825 -1.03061 -3.8498 -35.0109 -12.8389 -35.2687 -5.27808 TIMING: 3959000 CPU: 12834.6, 0.00311859/step Wall: 12834.6, 0.00311859/step, 0.901792 hours remaining, 234.113281 MB of memory in use. ENERGY: 3959000 3956.3457 20474.7854 14493.7494 258.9679 -203241.1041 2533.3788 0.0000 0.0000 52361.3927 -109162.4842 300.9216 -161523.8769 -108788.0569 299.8291 -183.9287 -147.5508 761909.9959 -5.2496 -5.3831 PRESSURE: 3959200 201.826 -155.15 -149.893 -155.15 -70.3582 18.4811 -149.893 18.482 -468.119 GPRESSURE: 3959200 103.843 -210.995 -223.015 -231.065 46.8266 25.467 -126.812 -53.0102 -380.542 PRESSAVG: 3959200 68.0982 -3.37664 14.4564 -3.3766 -32.4525 13.6803 14.4563 13.6804 11.0841 GPRESSAVG: 3959200 67.4786 -5.35424 14.2939 -1.99716 -33.3002 14.2199 13.5797 14.6911 12.3323 TIMING: 3959200 CPU: 12835.2, 0.00311493/step Wall: 12835.2, 0.00311493/step, 0.900561 hours remaining, 234.113281 MB of memory in use. ENERGY: 3959200 4012.9608 20488.7452 14412.5713 244.6039 -203222.8796 2432.2132 0.0000 0.0000 52184.4264 -109447.3588 299.9046 -161631.7852 -109080.0195 300.1198 -112.2168 -76.6241 759980.5763 15.5766 15.5036 PRESSURE: 3959400 154.835 190.936 16.5122 190.935 38.6888 -73.1212 16.5125 -73.1215 110.094 GPRESSURE: 3959400 260.853 98.1137 -28.2161 179.402 -12.5872 -81.4227 -58.9184 -70.2591 139.975 PRESSAVG: 3959400 14.7316 3.97412 -12.7816 3.97408 -1.4802 -5.46457 -12.7816 -5.4647 0.266902 GPRESSAVG: 3959400 14.7059 3.71785 -13.2451 3.03662 -1.95195 -4.5647 -13.2964 -4.7623 -0.398647 TIMING: 3959400 CPU: 12835.9, 0.00310477/step Wall: 12835.9, 0.00310477/step, 0.897452 hours remaining, 234.113281 MB of memory in use. ENERGY: 3959400 3988.5472 20646.8538 14398.3503 247.2339 -203454.2198 2604.7604 0.0000 0.0000 52286.8259 -109281.6483 300.4931 -161568.4742 -108921.7181 299.6939 101.2061 129.4136 760568.4894 4.5061 4.1184 PRESSURE: 3959600 -271.874 -179.765 -42.3772 -179.764 -83.6145 335.57 -42.3775 335.57 -105.222 GPRESSURE: 3959600 -88.0691 -134.005 -0.749274 -305.915 -231.404 420.438 -76.7505 138.333 -58.4589 PRESSAVG: 3959600 17.4307 -5.51766 38.3329 -5.51768 -15.5854 35.8154 38.3329 35.8153 -15.0112 GPRESSAVG: 3959600 17.2263 -5.70532 38.6034 -4.52286 -15.9614 35.3101 38.9615 34.0538 -14.5107 TIMING: 3959600 CPU: 12836.5, 0.00311542/step Wall: 12836.5, 0.00311542/step, 0.900355 hours remaining, 234.113281 MB of memory in use. ENERGY: 3959600 4058.6732 20556.6150 14388.0521 229.6714 -203381.8186 2630.9988 0.0000 0.0000 52246.8897 -109270.9184 300.2636 -161517.8080 -108902.6243 299.9618 -153.5702 -125.9773 761511.3932 -4.3886 -4.4152 PRESSURE: 3959800 -148.683 21.6044 112.884 21.6044 -33.8654 -39.6064 112.884 -39.6053 195.561 GPRESSURE: 3959800 -44.7275 -49.4165 127.728 125.227 -70.9981 -94.5838 103.592 24.9952 205.844 PRESSAVG: 3959800 -9.08393 -2.0629 -40.6038 -2.0629 0.149339 50.3959 -40.6038 50.396 14.407 GPRESSAVG: 3959800 -8.02025 -1.69223 -40.4154 -1.77019 -0.578675 48.8737 -42.924 49.7362 14.1891 TIMING: 3959800 CPU: 12837.1, 0.00310116/step Wall: 12837.1, 0.00310116/step, 0.896062 hours remaining, 234.113281 MB of memory in use. ENERGY: 3959800 4017.2167 20706.8577 14474.3999 263.0722 -203286.5763 2350.5001 0.0000 0.0000 52237.7330 -109236.7966 300.2110 -161474.5297 -108874.7103 300.1389 4.3376 30.0395 760937.6964 1.8241 1.8634 PRESSURE: 3960000 -493.287 -162.04 63.596 -162.04 142.882 -258.774 63.5954 -258.774 -90.2371 GPRESSURE: 3960000 -440.103 -107.218 27.2565 -81.719 185.597 -301.662 74.7412 -83.0159 -96.787 PRESSAVG: 3960000 -16.2588 -14.2173 -13.981 -14.2173 28.3852 -35.3606 -13.9811 -35.3606 -33.651 GPRESSAVG: 3960000 -17.4774 -14.4716 -14.9034 -14.6054 29.3282 -35.2737 -13.1797 -34.5096 -33.2891 TIMING: 3960000 CPU: 12837.7, 0.0031069/step Wall: 12837.7, 0.0031069/step, 0.897548 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3960000 3901.5181 20598.8478 14465.6388 244.5145 -203083.9267 2236.8947 0.0000 0.0000 52243.3028 -109393.2101 300.2430 -161636.5129 -109021.8441 299.7391 -146.8807 -117.0978 761011.2740 -7.1748 -7.1461 PRESSURE: 3960200 -65.3744 23.6115 124.627 23.6121 268.036 -29.2374 124.628 -29.237 -159.056 GPRESSURE: 3960200 -34.1898 -3.16232 112.185 159.666 325.023 -21.9334 16.4355 2.06109 -139.124 PRESSAVG: 3960200 -43.5782 -15.952 17.1483 -15.952 9.83294 -11.7895 17.1483 -11.7896 -17.5086 GPRESSAVG: 3960200 -43.2937 -15.6541 16.7146 -15.6369 9.76715 -10.8648 17.2726 -11.4444 -17.4923 TIMING: 3960200 CPU: 12838.3, 0.00310189/step Wall: 12838.3, 0.00310189/step, 0.89593 hours remaining, 234.113281 MB of memory in use. ENERGY: 3960200 4089.6774 20584.1381 14450.8656 251.8183 -203390.0262 2604.9473 0.0000 0.0000 52003.6334 -109404.9461 298.8656 -161408.5795 -109054.0520 299.3051 14.5351 50.5697 759498.2382 -17.0846 -17.0063 LDB: ============= START OF LOAD BALANCING ============== 12850.8 LDB: ============== END OF LOAD BALANCING =============== 12850.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12850.8 LDB: ============= START OF LOAD BALANCING ============== 12851.1 LDB: Largest compute 7068 load 0.031920 is 16.3% of average load 0.195632 LDB: Average compute 0.004404 is 2.3% of average load 0.195632 LDB: TIME 12851.1 LOAD: AVG 0.195632 MAX 0.215826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 12851.1 LOAD: AVG 0.195632 MAX 0.215826 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: TIME 12851.1 LOAD: AVG 0.195632 MAX 0.215826 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: ============== END OF LOAD BALANCING =============== 12851.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12851.1 PRESSURE: 3960400 238.674 89.211 164.928 89.2124 -417.712 82.5292 164.929 82.529 189.403 GPRESSURE: 3960400 291.77 87.2743 184.905 -109.611 -358.801 142.498 210.868 93.2061 176.431 PRESSAVG: 3960400 26.0183 -16.5162 -18.5804 -16.5162 -9.92692 21.2802 -18.5803 21.2802 1.54634 GPRESSAVG: 3960400 26.2357 -15.6725 -18.5766 -18.4062 -8.99922 20.857 -17.6113 22.347 0.832714 TIMING: 3960400 CPU: 12839, 0.00318401/step Wall: 12839, 0.00318401/step, 0.919471 hours remaining, 234.625000 MB of memory in use. ENERGY: 3960400 3919.2390 20525.4079 14492.3425 253.4313 -203391.5151 2612.2366 0.0000 0.0000 52221.3380 -109367.5199 300.1167 -161588.8579 -109007.9200 299.7854 3.4551 36.4665 760658.7764 5.8792 6.0231 PRESSURE: 3960600 -1.72763 -179.288 -114.769 -179.288 -317.269 -89.9845 -114.769 -89.9848 -405.385 GPRESSURE: 3960600 -7.46198 -209.186 -9.30072 -154.23 -175.838 -74.7157 -165.258 -3.74908 -447.992 PRESSAVG: 3960600 32.4058 -0.890707 -19.9217 -0.890718 -13.224 -35.6159 -19.9217 -35.6159 -10.5944 GPRESSAVG: 3960600 32.9204 -2.61481 -20.9478 1.83139 -13.8625 -36.8526 -17.3685 -36.4369 -10.5348 TIMING: 3960600 CPU: 12839.6, 0.00310574/step Wall: 12839.6, 0.00310574/step, 0.896697 hours remaining, 234.828125 MB of memory in use. ENERGY: 3960600 3974.6297 20401.8608 14502.8187 257.1428 -202949.5983 2298.8594 0.0000 0.0000 52300.6901 -109213.5968 300.5728 -161514.2869 -108849.6074 299.4778 -241.4604 -210.4307 761873.7465 2.8624 2.8410 PRESSURE: 3960800 -21.6268 0.330547 31.8114 0.331187 -145.741 146.089 31.8115 146.089 17.2453 GPRESSURE: 3960800 71.8482 -54.1059 67.8841 -80.7813 -74.5577 179.325 -2.90676 91.88 -65.2356 PRESSAVG: 3960800 80.004 -32.6175 7.03755 -32.6175 1.47011 -8.2013 7.03757 -8.20131 0.393444 GPRESSAVG: 3960800 79.4413 -31.8932 8.87759 -34.6826 2.39935 -9.29201 4.46475 -7.9728 0.0262661 TIMING: 3960800 CPU: 12840.2, 0.00310666/step Wall: 12840.2, 0.00310666/step, 0.896789 hours remaining, 234.898438 MB of memory in use. ENERGY: 3960800 4049.0654 20717.6118 14479.3878 265.2443 -203535.9058 2426.1479 0.0000 0.0000 52075.5620 -109522.8866 299.2790 -161598.4485 -109151.4214 300.2682 -50.0410 -22.6483 759215.1509 27.2892 27.2890 PRESSURE: 3961000 -156.16 -7.60418 -187.693 -7.60459 -383.689 63.9785 -187.692 63.9789 -429.14 GPRESSURE: 3961000 -146.552 204.37 -183.335 -0.0885523 -388.931 19.0114 -26.1002 135.036 -344.628 PRESSAVG: 3961000 16.976 0.503973 -13.8046 0.503989 -1.10765 9.74084 -13.8046 9.74086 -6.39212 GPRESSAVG: 3961000 18.0301 0.420381 -15.4263 1.98776 -2.12464 11.6388 -12.7131 8.65247 -6.06992 TIMING: 3961000 CPU: 12840.8, 0.00309922/step Wall: 12840.8, 0.00309922/step, 0.894471 hours remaining, 234.898438 MB of memory in use. ENERGY: 3961000 3983.9951 20562.7590 14458.3920 250.8659 -203325.9319 2340.3203 0.0000 0.0000 52042.2470 -109687.3526 299.0875 -161729.5996 -109326.6810 299.0045 -322.9965 -293.3700 761742.0545 3.1588 3.2785 PRESSURE: 3961200 81.0829 -94.8525 -160.09 -94.8527 165.15 38.9155 -160.091 38.9158 -173.02 GPRESSURE: 3961200 96.9602 -136.849 -160.689 -26.486 226.384 88.0315 -129.692 63.7293 -177.338 PRESSAVG: 3961200 -13.4314 42.3511 -5.71398 42.3511 25.353 -27.8877 -5.71399 -27.8877 -10.2893 GPRESSAVG: 3961200 -14.36 41.4363 -5.48264 42.0841 25.5033 -27.378 -7.19035 -27.2208 -9.90017 TIMING: 3961200 CPU: 12841.5, 0.00310882/step Wall: 12841.5, 0.00310882/step, 0.897068 hours remaining, 234.898438 MB of memory in use. ENERGY: 3961200 3991.6560 20492.0215 14441.3950 253.4188 -203519.8886 2325.6926 0.0000 0.0000 52000.4833 -110015.2212 298.8475 -162015.7045 -109647.7770 298.9040 24.4043 48.6690 759718.4736 0.5441 0.4144 PRESSURE: 3961400 -293.819 266.123 -7.94552 266.123 -355.982 132.333 -7.94494 132.333 -80.6844 GPRESSURE: 3961400 -149.856 223.525 -0.108181 375.956 -426.075 135.588 -46.2699 63.8154 -79.066 PRESSAVG: 3961400 41.4617 20.5264 -0.966054 20.5264 -40.7513 -22.151 -0.966005 -22.151 -4.48982 GPRESSAVG: 3961400 41.5631 21.1286 0.543056 20.4192 -39.1544 -22.9847 -2.99948 -21.0946 -6.30328 TIMING: 3961400 CPU: 12842.1, 0.00311441/step Wall: 12842.1, 0.00311441/step, 0.898508 hours remaining, 234.898438 MB of memory in use. ENERGY: 3961400 4020.3639 20432.9672 14445.1348 219.1694 -203007.3867 2115.5029 0.0000 0.0000 52013.6969 -109760.5517 298.9234 -161774.2486 -109394.4768 298.5909 -243.4952 -218.3322 759874.8686 -1.2598 -1.2982 PRESSURE: 3961600 27.4036 -72.8701 157.182 -72.8707 -97.2216 -70.7675 157.182 -70.7683 -26.1605 GPRESSURE: 3961600 9.21817 -146.942 137.535 42.9528 3.40942 -35.1893 161.806 -53.2242 -1.63639 PRESSAVG: 3961600 13.1491 -6.26414 45.2534 -6.26419 0.386567 18.9319 45.2534 18.9319 1.31737 GPRESSAVG: 3961600 12.3582 -7.37123 43.9119 -9.53352 0.203409 18.8667 46.5961 17.4065 3.44464 TIMING: 3961600 CPU: 12842.7, 0.00311688/step Wall: 12842.7, 0.00311688/step, 0.899047 hours remaining, 234.898438 MB of memory in use. ENERGY: 3961600 4026.2640 20468.3571 14498.7573 240.7334 -203328.8644 2420.4948 0.0000 0.0000 52021.5080 -109652.7498 298.9683 -161674.2578 -109292.4607 299.0910 -31.9928 3.6637 760568.7407 4.9510 5.3354 PRESSURE: 3961800 -242.466 -99.6677 39.3553 -99.6685 -142.234 208.832 39.3549 208.833 -257.406 GPRESSURE: 3961800 -143.365 -22.3363 -34.2856 -85.1165 -111.391 262.226 97.3148 148.969 -310.302 PRESSAVG: 3961800 -3.55967 -18.5619 6.77487 -18.5619 10.9617 30.1445 6.77493 30.1446 12.5928 GPRESSAVG: 3961800 -2.86753 -17.7818 5.91803 -14.281 11.4867 30.7101 9.23107 32.2415 11.797 TIMING: 3961800 CPU: 12843.3, 0.00311443/step Wall: 12843.3, 0.00311443/step, 0.898167 hours remaining, 234.898438 MB of memory in use. ENERGY: 3961800 3972.9289 20456.2886 14514.6205 253.7785 -203396.2792 2494.5916 0.0000 0.0000 51969.5363 -109734.5347 298.6696 -161704.0710 -109386.6913 298.6392 -214.0354 -188.3525 760139.4036 6.6650 6.8054 PRESSURE: 3962000 211.143 121.021 172.203 121.02 218.211 24.9082 172.203 24.9093 172.658 GPRESSURE: 3962000 272.611 231.337 206.725 148.914 246.843 99.8506 62.5202 55.5851 167.643 PRESSAVG: 3962000 6.2435 -14.1597 53.9497 -14.1597 -39.2532 -30.4384 53.9497 -30.4385 11.985 GPRESSAVG: 3962000 5.60945 -13.7962 56.1509 -14.9315 -39.1238 -30.3721 52.7435 -32.4998 13.0318 TIMING: 3962000 CPU: 12844, 0.00311581/step Wall: 12844, 0.00311581/step, 0.898392 hours remaining, 234.968750 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 4051.3115 20285.3368 14426.0243 255.0193 -203733.4099 2584.9889 0.0000 0.0000 52217.9456 -109912.7836 300.0973 -162130.7292 -109553.4159 298.9300 200.6703 229.0324 759053.0195 -7.0082 -6.8275 PRESSURE: 3962200 -85.5365 258.021 -209.257 258.022 -176.009 110.812 -209.257 110.812 111.206 GPRESSURE: 3962200 39.5248 164.806 -221.818 169.12 -171.426 144.244 -148.74 -39.1685 57.07 PRESSAVG: 3962200 -34.4865 25.5035 -33.8907 25.5035 41.1726 -18.5103 -33.8907 -18.5104 -13.695 GPRESSAVG: 3962200 -33.0859 25.1474 -35.349 24.4268 40.5409 -18.4471 -32.4548 -17.8469 -14.8539 TIMING: 3962200 CPU: 12844.6, 0.00311199/step Wall: 12844.6, 0.00311199/step, 0.897117 hours remaining, 234.968750 MB of memory in use. ENERGY: 3962200 4016.7962 20402.4765 14425.5820 260.0398 -203746.1361 2560.7540 0.0000 0.0000 51870.6897 -110209.7979 298.1016 -162080.4876 -109848.7459 298.1911 -50.1129 -24.9436 759911.2857 -2.3363 -2.4663 PRESSURE: 3962400 -7.77531 -123.67 11.2225 -123.669 465.457 71.9534 11.223 71.9536 730.666 GPRESSURE: 3962400 -3.13172 -215.749 32.3658 -95.4248 489.376 28.6969 146.181 27.6717 791.906 PRESSAVG: 3962400 -15.3633 -22.4019 2.73556 -22.4018 18.0062 -8.0557 2.73555 -8.05574 10.6701 GPRESSAVG: 3962400 -15.6649 -22.4307 4.01593 -20.659 17.3665 -8.2954 3.13965 -8.50036 11.8237 TIMING: 3962400 CPU: 12845.2, 0.00310849/step Wall: 12845.2, 0.00310849/step, 0.895936 hours remaining, 234.968750 MB of memory in use. ENERGY: 3962400 4043.4499 20470.4201 14371.0688 266.4457 -203829.5798 2777.7274 0.0000 0.0000 51964.8304 -109935.6375 298.6426 -161900.4679 -109574.9023 298.2607 396.1157 426.0501 758789.0194 4.4377 4.5084 PRESSURE: 3962600 -6.67196 69.726 133.509 69.7258 -122.966 170.227 133.508 170.227 115.008 GPRESSURE: 3962600 16.4652 -55.058 91.9444 76.1669 -48.0787 148.2 165.466 94.599 109.682 PRESSAVG: 3962600 -0.595351 -9.32009 21.1741 -9.32017 -31.8127 -12.1278 21.1741 -12.1279 5.80456 GPRESSAVG: 3962600 -1.59463 -8.79532 21.1847 -11.4967 -30.4728 -12.1312 19.7168 -10.2349 5.98731 TIMING: 3962600 CPU: 12845.8, 0.00311516/step Wall: 12845.8, 0.00311516/step, 0.897686 hours remaining, 234.968750 MB of memory in use. ENERGY: 3962600 4042.9634 20516.1950 14467.0520 255.7947 -203357.9344 2292.8970 0.0000 0.0000 52054.5560 -109728.4764 299.1582 -161783.0324 -109370.5370 298.4568 -4.8765 26.0228 760027.7462 -8.8678 -8.6934 PRESSURE: 3962800 -256.953 215.703 127.543 215.703 -159.511 -174.502 127.543 -174.502 -108.022 GPRESSURE: 3962800 -158.992 150.133 146.418 309.387 -147.342 -135.575 105.197 -221.391 -153.55 PRESSAVG: 3962800 18.2562 -17.4062 33.3974 -17.4062 -36.4067 -6.13566 33.3974 -6.13563 -0.0822216 GPRESSAVG: 3962800 19.7816 -17.2021 33.1435 -17.1273 -35.8241 -7.33503 31.6868 -6.72118 -1.28347 TIMING: 3962800 CPU: 12846.4, 0.00310028/step Wall: 12846.4, 0.00310028/step, 0.893225 hours remaining, 234.968750 MB of memory in use. ENERGY: 3962800 4102.2340 20439.3173 14532.6259 247.2466 -203741.2861 2504.8204 0.0000 0.0000 52258.9542 -109656.0877 300.3329 -161915.0419 -109294.4462 298.8850 -174.8289 -153.2949 759682.6488 -6.0776 -5.7753 PRESSURE: 3963000 -40.3949 214.682 -71.8734 214.683 162.709 1.70446 -71.8727 1.70572 4.41908 GPRESSURE: 3963000 42.678 199.32 -33.6538 180.621 124.099 90.2655 -80.0688 52.2927 11.3611 PRESSAVG: 3963000 36.0737 25.5692 1.06033 25.5693 -6.74059 42.5646 1.06028 42.5646 -14.1598 GPRESSAVG: 3963000 36.6239 24.7643 1.80134 24.954 -7.6367 44.4278 1.3665 42.5392 -14.1359 TIMING: 3963000 CPU: 12847.1, 0.00309226/step Wall: 12847.1, 0.00309226/step, 0.890742 hours remaining, 234.968750 MB of memory in use. ENERGY: 3963000 3974.7634 20522.4225 14415.8847 247.4332 -203508.3995 2578.2839 0.0000 0.0000 52074.3319 -109695.2799 299.2719 -161769.6118 -109330.3506 299.4702 42.2446 59.3794 760513.7746 5.0578 4.9504 PRESSURE: 3963200 -24.2483 88.9603 -51.5795 88.9608 514.861 -30.0226 -51.5793 -30.0222 30.0138 GPRESSURE: 3963200 -11.3208 108.107 -33.1475 122.133 616.9 -131.214 -19.8409 -68.1105 -7.92698 PRESSAVG: 3963200 16.2111 -3.00741 2.22604 -3.00739 24.4515 19.0416 2.22605 19.0416 16.8425 GPRESSAVG: 3963200 14.4957 -1.97047 0.676213 -1.16243 24.6087 17.2356 2.33313 19.1127 18.4426 TIMING: 3963200 CPU: 12847.7, 0.00310738/step Wall: 12847.7, 0.00310738/step, 0.894925 hours remaining, 234.968750 MB of memory in use. ENERGY: 3963200 4057.3356 20524.5543 14483.3083 257.0787 -203591.1161 2698.8326 0.0000 0.0000 52108.7657 -109461.2409 299.4698 -161570.0066 -109097.9876 299.6153 173.5421 199.2175 760135.7561 19.1684 19.1823 PRESSURE: 3963400 -152.989 108.214 51.2248 108.215 -218.018 53.2198 51.2242 53.2206 -235.782 GPRESSURE: 3963400 -96.5145 209.114 5.4524 129.728 -225.161 -19.4973 43.8874 111.505 -183.418 PRESSAVG: 3963400 -7.01586 15.1434 6.23398 15.1435 4.37781 -29.4355 6.234 -29.4355 -11.4866 GPRESSAVG: 3963400 -5.77265 14.943 7.68546 13.7289 5.03605 -29.838 8.38292 -29.4937 -12.8566 TIMING: 3963400 CPU: 12848.3, 0.00311382/step Wall: 12848.3, 0.00311382/step, 0.896606 hours remaining, 234.968750 MB of memory in use. ENERGY: 3963400 3954.1068 20499.6725 14461.5949 247.3264 -203618.1826 2664.3538 0.0000 0.0000 52213.6307 -109577.4974 300.0725 -161791.1281 -109209.7745 299.4782 -202.2628 -168.3646 760427.3091 -4.7082 -4.5311 PRESSURE: 3963600 -511.519 -50.0317 39.6229 -50.0315 -70.4949 27.6588 39.6228 27.658 -63.1075 GPRESSURE: 3963600 -426.183 -110.448 -16.2566 -31.0579 -150.526 48.449 121.373 -19.4811 6.96002 PRESSAVG: 3963600 29.7049 10.4932 30.9122 10.4932 -35.2289 -36.061 30.9122 -36.061 -8.97254 GPRESSAVG: 3963600 30.6941 10.7968 31.4684 10.856 -36.437 -35.4658 28.7138 -36.083 -9.23398 TIMING: 3963600 CPU: 12848.9, 0.00312393/step Wall: 12848.9, 0.00312393/step, 0.899345 hours remaining, 234.968750 MB of memory in use. ENERGY: 3963600 4063.2059 20735.6324 14420.5253 261.3006 -203187.1032 2375.1260 0.0000 0.0000 51923.8365 -109407.4765 298.4070 -161331.3130 -109054.4627 299.0946 -215.0405 -189.9166 761696.7569 -4.8322 -4.9923 PRESSURE: 3963800 296.278 -98.8256 -277.735 -98.8254 368.643 -61.7596 -277.735 -61.7605 197.887 GPRESSURE: 3963800 413.158 -133.216 -220.173 -191.154 436.729 -104.511 -218.596 4.47053 134.12 PRESSAVG: 3963800 44.6928 9.10568 67.1152 9.10575 -37.5067 -6.25424 67.1153 -6.25417 23.4109 GPRESSAVG: 3963800 43.5573 11.1746 66.9897 6.64702 -38.0095 -4.62388 68.743 -8.83702 25.2826 TIMING: 3963800 CPU: 12849.6, 0.00310933/step Wall: 12849.6, 0.00310933/step, 0.894969 hours remaining, 234.968750 MB of memory in use. ENERGY: 3963800 3998.8281 20472.3911 14399.5175 248.2018 -203794.7140 3018.3543 0.0000 0.0000 52093.2720 -109564.1492 299.3807 -161657.4211 -109199.3327 299.4895 287.6028 328.0023 760958.7336 10.1990 10.2768 PRESSURE: 3964000 -120.482 22.5215 -283.805 22.5215 132.477 100.195 -283.805 100.194 -114.563 GPRESSURE: 3964000 -69.5299 111.975 -276.718 -30.0619 97.5415 110.295 -216.152 147.286 -47.0082 PRESSAVG: 3964000 28.6233 -38.1981 -21.0135 -38.1982 -10.3521 -24.9203 -21.0136 -24.9202 1.77143 GPRESSAVG: 3964000 29.9088 -39.8321 -21.0918 -35.531 -10.0674 -25.6823 -21.1946 -21.3263 0.390169 TIMING: 3964000 CPU: 12850.2, 0.0030922/step Wall: 12850.2, 0.0030922/step, 0.889865 hours remaining, 234.968750 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 4070.0443 20433.4620 14465.9795 255.0177 -203206.7566 2560.0713 0.0000 0.0000 51667.0047 -109755.1770 296.9310 -161422.1817 -109394.9202 298.9824 -34.1893 -6.3322 760693.9512 6.6809 6.7439 PRESSURE: 3964200 19.2573 46.6607 330.185 46.6598 -381.944 243.017 330.185 243.018 -53.0401 GPRESSURE: 3964200 6.1538 -32.3491 331.194 6.54724 -328.751 227.482 221.473 117.817 -19.1192 PRESSAVG: 3964200 -22.923 -16.702 3.47187 -16.702 -7.47786 35.659 3.47187 35.659 25.4209 GPRESSAVG: 3964200 -23.052 -16.7666 3.62113 -15.7452 -6.11675 36.55 2.62089 34.7704 24.1296 TIMING: 3964200 CPU: 12850.8, 0.00309128/step Wall: 12850.8, 0.00309128/step, 0.889431 hours remaining, 234.968750 MB of memory in use. ENERGY: 3964200 4020.3210 20516.8964 14360.9209 234.9389 -202859.7218 2431.6087 0.0000 0.0000 51698.2118 -109596.8241 297.1103 -161295.0359 -109242.1436 298.9223 -138.5755 -113.9054 763942.8801 -1.6600 -1.6797 LDB: ============= START OF LOAD BALANCING ============== 12863.2 LDB: ============== END OF LOAD BALANCING =============== 12863.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12863.2 LDB: ============= START OF LOAD BALANCING ============== 12863.5 LDB: Largest compute 7068 load 0.031790 is 16.3% of average load 0.195589 LDB: Average compute 0.004404 is 2.3% of average load 0.195589 LDB: TIME 12863.5 LOAD: AVG 0.195589 MAX 0.214058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.371 MB LDB: TIME 12863.5 LOAD: AVG 0.195589 MAX 0.214058 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: TIME 12863.5 LOAD: AVG 0.195589 MAX 0.214058 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: ============== END OF LOAD BALANCING =============== 12863.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12863.5 PRESSURE: 3964400 -179.924 -99.1117 -54.3811 -99.1113 -191.026 334.163 -54.3808 334.163 655.958 GPRESSURE: 3964400 -165.195 -55.4717 -120.815 -132.041 -69.0901 345.712 -20.1123 324.78 590.427 PRESSAVG: 3964400 11.9207 -41.3106 12.4345 -41.3106 -22.2718 27.1294 12.4345 27.1294 20.1373 GPRESSAVG: 3964400 11.5099 -40.0105 12.1664 -44.5501 -23.3732 25.6577 14.2057 25.126 21.9574 TIMING: 3964400 CPU: 12851.4, 0.00316794/step Wall: 12851.4, 0.00316794/step, 0.91131 hours remaining, 236.425781 MB of memory in use. ENERGY: 3964400 3934.1704 20453.7782 14450.0589 256.0765 -203492.9200 2560.0530 0.0000 0.0000 52001.9083 -109836.8747 298.8557 -161838.7830 -109466.3209 299.0432 95.0027 118.7138 762061.2921 3.2621 3.3647 PRESSURE: 3964600 219.408 -11.8711 -0.558622 -11.8717 -9.79762 -98.793 -0.558093 -98.794 33.8844 GPRESSURE: 3964600 224.302 19.431 -2.96772 16.6763 15.6638 -140.123 -149.247 -196.622 70.8078 PRESSAVG: 3964600 78.737 -14.6132 17.9129 -14.6132 -31.2654 -31.5391 17.9129 -31.539 -15.0389 GPRESSAVG: 3964600 77.4269 -17.6027 17.1054 -10.1515 -30.1083 -32.7072 16.3444 -31.3384 -14.6576 TIMING: 3964600 CPU: 12852.1, 0.00312054/step Wall: 12852.1, 0.00312055/step, 0.897503 hours remaining, 236.492188 MB of memory in use. ENERGY: 3964600 3942.8026 20639.4198 14489.5415 239.5057 -203582.4454 2534.5537 0.0000 0.0000 52104.6697 -109631.9524 299.4463 -161736.6221 -109263.8252 298.5013 81.1650 103.5911 762105.4748 10.8109 10.8870 PRESSURE: 3964800 409.695 83.174 -80.5808 83.1744 163.273 -219.352 -80.58 -219.353 161.342 GPRESSURE: 3964800 426.982 88.6959 -180.744 -3.99303 175.796 -234.663 37.0347 -184.833 227.461 PRESSAVG: 3964800 -4.42596 -17.2893 -15.2446 -17.2892 -29.0425 20.3885 -15.2446 20.3886 18.1103 GPRESSAVG: 3964800 -2.80625 -14.8496 -15.7269 -20.292 -30.5546 22.3679 -14.3917 20.8968 17.8128 TIMING: 3964800 CPU: 12852.7, 0.003091/step Wall: 12852.7, 0.003091/step, 0.888835 hours remaining, 236.492188 MB of memory in use. ENERGY: 3964800 3934.8319 20416.4289 14440.0126 230.4619 -203251.0474 2639.9634 0.0000 0.0000 51897.4655 -109691.8833 298.2554 -161589.3487 -109334.3316 298.9309 244.7700 276.7464 760298.9851 -5.1194 -5.1827 PRESSURE: 3965000 -88.2857 147.071 40.093 147.07 -238.241 -140.674 40.0939 -140.674 -193.151 GPRESSURE: 3965000 -108.539 119.389 48.1221 307.856 -162.646 -36.3705 -9.30628 -99.5394 -150.154 PRESSAVG: 3965000 -11.9005 12.4296 -3.09976 12.4296 6.73801 -31.3243 -3.0998 -31.3243 -0.629876 GPRESSAVG: 3965000 -12.5029 11.9407 -0.232193 12.6733 6.65266 -30.2518 -5.1097 -30.4414 -0.00192847 TIMING: 3965000 CPU: 12853.3, 0.00310443/step Wall: 12853.3, 0.00310443/step, 0.892522 hours remaining, 236.500000 MB of memory in use. ENERGY: 3965000 3942.2542 20451.4937 14522.5660 247.4985 -203271.4466 2362.9749 0.0000 0.0000 52049.4178 -109695.2416 299.1287 -161744.6593 -109340.2878 299.1556 -173.2260 -140.4463 761760.4267 -1.9308 -1.9507 PRESSURE: 3965200 -138.595 -3.95982 0.962235 -3.961 60.2178 106.781 0.962363 106.782 -321.631 GPRESSURE: 3965200 -1.35327 27.9958 -79.9504 -27.4905 37.0015 68.3024 -61.6699 61.5612 -342.363 PRESSAVG: 3965200 5.037 11.4081 -3.292 11.408 -3.79999 15.0801 -3.29192 15.0802 -9.98922 GPRESSAVG: 3965200 6.10536 11.7741 -5.60204 11.2805 -4.04988 13.4694 -2.15792 16.7707 -10.7136 TIMING: 3965200 CPU: 12853.9, 0.00309689/step Wall: 12853.9, 0.00309689/step, 0.890183 hours remaining, 236.757812 MB of memory in use. ENERGY: 3965200 4014.3938 20490.0100 14382.1057 247.0227 -202985.6027 2123.4146 0.0000 0.0000 51925.6705 -109802.9854 298.4175 -161728.6559 -109440.9645 298.5218 -133.3359 -102.2384 760236.6579 -2.9174 -2.8861 PRESSURE: 3965400 -12.2545 -121.006 -49.8061 -121.006 -51.6034 243.137 -49.8042 243.137 -462.637 GPRESSURE: 3965400 -35.2732 -117.3 -105.794 -154.815 9.40209 214.156 79.0172 190.549 -427.424 PRESSAVG: 3965400 30.6991 40.1374 41.1854 40.1375 -62.5934 -26.1157 41.1854 -26.1156 7.63752 GPRESSAVG: 3965400 30.5933 37.667 41.1222 41.662 -62.9594 -25.7325 42.3595 -30.127 7.89123 TIMING: 3965400 CPU: 12854.5, 0.00309371/step Wall: 12854.5, 0.00309371/step, 0.889097 hours remaining, 236.757812 MB of memory in use. ENERGY: 3965400 3968.2238 20315.0737 14404.9204 245.8526 -203387.9221 2499.3619 0.0000 0.0000 51872.5531 -110081.9366 298.1123 -161954.4897 -109724.8780 297.9644 -175.4982 -151.0984 759754.4561 -8.0856 -8.1583 PRESSURE: 3965600 204.507 86.9772 -135.661 86.9767 208.155 -113.751 -135.661 -113.751 22.568 GPRESSURE: 3965600 178.153 55.247 -88.3915 2.0417 262.636 -120.361 -99.2287 -56.4724 90.6085 PRESSAVG: 3965600 19.6088 -18.7911 -25.9964 -18.7912 -0.484172 -10.5888 -25.9964 -10.5887 12.1441 GPRESSAVG: 3965600 19.6776 -16.4832 -23.5007 -20.4722 0.242366 -11.2812 -25.0085 -9.09058 11.8358 TIMING: 3965600 CPU: 12855.2, 0.00311364/step Wall: 12855.2, 0.00311364/step, 0.894654 hours remaining, 236.757812 MB of memory in use. ENERGY: 3965600 3924.9393 20326.5628 14422.8398 244.6712 -203935.1679 2787.4489 0.0000 0.0000 51879.1673 -110349.5387 298.1503 -162228.7059 -109980.8107 297.7727 145.0766 177.1323 758637.2827 10.4229 10.5853 PRESSURE: 3965800 29.5374 -64.1766 123.526 -64.178 -157.853 -102.606 123.526 -102.606 23.4683 GPRESSURE: 3965800 -9.83559 -188.59 177.65 90.6737 -34.1952 -68.9047 -35.634 -101.225 40.9357 PRESSAVG: 3965800 16.903 15.9758 -25.5708 15.9758 -46.737 -6.09749 -25.5709 -6.0975 5.36379 GPRESSAVG: 3965800 16.7962 17.8864 -24.914 17.3049 -46.5066 -5.71037 -26.2827 -5.46782 5.69072 TIMING: 3965800 CPU: 12855.8, 0.00310326/step Wall: 12855.8, 0.00310326/step, 0.891497 hours remaining, 236.816406 MB of memory in use. ENERGY: 3965800 3926.8592 20353.0272 14452.4498 250.6332 -203805.3798 2614.0576 0.0000 0.0000 52005.5363 -110202.8166 298.8765 -162208.3528 -109844.6674 297.4823 -34.9492 -1.0317 760798.7141 -8.1567 -8.0066 PRESSURE: 3966000 -101.787 -201.607 -88.3183 -201.607 -96.9667 174.473 -88.3185 174.472 -174.89 GPRESSURE: 3966000 -59.0709 -70.9689 -59.2428 -354.016 -44.6886 211.552 -18.0427 159.265 -187.733 PRESSAVG: 3966000 -10.813 27.709 40.4584 27.709 27.0766 2.96718 40.4585 2.96709 -4.32495 GPRESSAVG: 3966000 -11.4689 27.4867 38.6174 27.872 28.0613 1.5702 39.4816 3.75889 -4.79143 TIMING: 3966000 CPU: 12856.4, 0.00309771/step Wall: 12856.4, 0.00309771/step, 0.889731 hours remaining, 236.832031 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: 3966000 4015.2333 20427.3416 14467.1329 237.0644 -203489.1423 2448.8579 0.0000 0.0000 51765.3342 -110128.1781 297.4961 -161893.5123 -109761.0575 298.4562 -124.5478 -97.1643 760302.7604 3.9795 3.9337 PRESSURE: 3966200 -48.321 -126.985 97.3023 -126.985 -84.1845 46.2742 97.303 46.2735 -415.607 GPRESSURE: 3966200 37.9004 -150.121 84.497 -64.0195 -25.9817 149.079 76.9283 -74.5817 -471.532 PRESSAVG: 3966200 37.419 -32.7808 -19.5311 -32.7807 -26.025 16.0858 -19.531 16.0858 -10.0968 GPRESSAVG: 3966200 38.6936 -35.7765 -19.4445 -29.9575 -27.2314 17.6929 -18.3351 15.6412 -9.95826 TIMING: 3966200 CPU: 12857, 0.0030978/step Wall: 12857, 0.0030978/step, 0.889586 hours remaining, 236.832031 MB of memory in use. ENERGY: 3966200 3997.2269 20512.1767 14446.9964 248.6968 -203726.8398 2506.0703 0.0000 0.0000 51780.4642 -110235.2085 297.5830 -162015.6727 -109869.0053 297.9375 -182.7040 -153.2045 759957.8337 0.4324 0.5013 PRESSURE: 3966400 -134.134 14.0751 -89.7552 14.0753 108.482 -49.0973 -89.7547 -49.0981 -123.764 GPRESSURE: 3966400 -70.2032 -42.1064 62.391 114.155 81.1224 -62.8801 -121.607 -3.16876 -59.1486 PRESSAVG: 3966400 41.2257 -24.3434 -13.0762 -24.3435 -22.4068 -21.8994 -13.0763 -21.8993 -4.98597 GPRESSAVG: 3966400 41.3844 -23.9072 -12.2188 -25.5619 -21.5439 -21.8415 -14.8175 -21.4252 -5.80468 TIMING: 3966400 CPU: 12857.6, 0.00310564/step Wall: 12857.6, 0.00310564/step, 0.891663 hours remaining, 236.832031 MB of memory in use. ENERGY: 3966400 4043.5580 20519.1005 14385.4948 234.5183 -203414.9509 2410.6349 0.0000 0.0000 51647.0416 -110174.6028 296.8163 -161821.6444 -109803.1116 297.8956 -49.8056 -16.0765 760907.0623 4.6110 4.6786 PRESSURE: 3966600 -47.3311 352.96 -23.0478 352.961 157.039 -119.982 -23.0469 -119.983 209.205 GPRESSURE: 3966600 52.7299 303.497 33.7995 256.743 165.087 -99.0737 14.9978 -185.793 186.051 PRESSAVG: 3966600 -43.0576 -15.3196 -0.155081 -15.3195 48.1241 7.65607 -0.155121 7.65609 34.9182 GPRESSAVG: 3966600 -43.5665 -13.6962 -0.686466 -16.0732 47.848 7.68341 1.51985 8.50668 35.2714 TIMING: 3966600 CPU: 12858.3, 0.00310812/step Wall: 12858.3, 0.00310812/step, 0.892203 hours remaining, 236.832031 MB of memory in use. ENERGY: 3966600 4001.4565 20610.4548 14420.8419 266.3615 -203851.8786 2601.9372 0.0000 0.0000 52006.3560 -109944.4707 298.8812 -161950.8267 -109580.7501 298.1735 106.3045 134.6226 760358.0925 13.3282 13.1843 PRESSURE: 3966800 80.7417 -153.779 5.27839 -153.778 -411.064 163.229 5.27727 163.229 336.788 GPRESSURE: 3966800 114.967 -57.8064 19.9487 -142.789 -307.736 104.208 -40.6843 144.455 289.865 PRESSAVG: 3966800 27.3633 -8.42443 -13.4293 -8.42444 -23.9315 16.9224 -13.4293 16.9223 -21.3546 GPRESSAVG: 3966800 26.9225 -8.90721 -13.6156 -8.03998 -24.2021 16.089 -13.2582 16.0185 -20.8387 TIMING: 3966800 CPU: 12858.9, 0.00310829/step Wall: 12858.9, 0.00310829/step, 0.89208 hours remaining, 236.832031 MB of memory in use. ENERGY: 3966800 3985.5441 20671.7273 14355.6393 253.5207 -203549.7071 2656.8654 0.0000 0.0000 51575.2108 -110051.1994 296.4034 -161626.4102 -109704.0882 298.2866 2.1551 32.3652 763071.5293 -5.9742 -6.0394 PRESSURE: 3967000 -65.8801 -59.5833 119.741 -59.5838 48.7131 20.2523 119.742 20.2519 164.923 GPRESSURE: 3967000 -40.348 -130.841 77.9431 -144.028 56.9995 57.9052 149.589 4.72192 218.071 PRESSAVG: 3967000 -4.10154 -39.9026 27.0906 -39.9027 -21.8965 -23.5969 27.0906 -23.5969 -26.6129 GPRESSAVG: 3967000 -4.63095 -41.4991 28.1504 -40.3085 -21.0418 -23.6729 26.0921 -23.9658 -26.9363 TIMING: 3967000 CPU: 12859.5, 0.00310058/step Wall: 12859.5, 0.00310058/step, 0.889695 hours remaining, 236.832031 MB of memory in use. ENERGY: 3967000 3919.2163 20361.1006 14428.1279 237.4446 -203663.6100 2832.5307 0.0000 0.0000 51766.6704 -110118.5196 297.5038 -161885.1900 -109752.6866 297.9907 49.2521 78.2410 763175.5884 -17.5370 -17.5363 PRESSURE: 3967200 133.1 298.999 -11.6097 298.999 99.8576 -48.703 -11.6096 -48.7027 13.1182 GPRESSURE: 3967200 94.7736 328.9 -57.8589 276.461 134.18 -145.965 66.0829 -73.314 109.192 PRESSAVG: 3967200 13.038 -14.6418 21.612 -14.6417 -4.41622 -72.2651 21.612 -72.2651 13.6401 GPRESSAVG: 3967200 13.0185 -14.2811 20.5251 -15.1714 -4.94304 -70.4558 22.3461 -72.5962 14.3773 TIMING: 3967200 CPU: 12860.1, 0.00309934/step Wall: 12860.1, 0.00309934/step, 0.889166 hours remaining, 236.832031 MB of memory in use. ENERGY: 3967200 3948.4319 20606.9898 14415.3332 241.3017 -203756.4463 2586.2513 0.0000 0.0000 51974.1238 -109984.0146 298.6960 -161958.1384 -109623.5931 298.0894 82.0254 112.7151 760016.4241 7.4206 7.4842 PRESSURE: 3967400 -39.1619 -84.0931 -105.73 -84.093 -397.836 -37.6035 -105.729 -37.6022 -214.079 GPRESSURE: 3967400 14.0053 -148.693 -110.55 -35.9866 -415.982 -82.9517 -127.25 -138.722 -174.807 PRESSAVG: 3967400 14.7352 6.19147 -38.2928 6.19146 1.14645 -64.721 -38.2928 -64.7211 -0.470594 GPRESSAVG: 3967400 15.2989 7.21547 -37.5413 7.22241 1.53288 -67.193 -39.2779 -64.3534 -0.887289 TIMING: 3967400 CPU: 12860.7, 0.00309531/step Wall: 12860.7, 0.00309531/step, 0.887839 hours remaining, 236.832031 MB of memory in use. ENERGY: 3967400 3911.5347 20549.4512 14393.8441 262.5461 -203841.7740 2564.6954 0.0000 0.0000 51916.3835 -110243.3190 298.3642 -162159.7025 -109883.3830 298.3354 -217.0257 -192.2612 760403.0263 5.1370 5.3148 PRESSURE: 3967600 -52.0763 173.727 60.3887 173.726 -78.8841 -229.888 60.3882 -229.888 -42.8883 GPRESSURE: 3967600 -96.3016 96.6 63.7756 185.91 20.8513 -202.864 101.605 -74.6458 4.33528 PRESSAVG: 3967600 7.64413 102.762 5.53447 102.761 -47.2048 -15.7074 5.5345 -15.7074 -6.34983 GPRESSAVG: 3967600 7.18109 102.153 3.51963 103.815 -46.6623 -14.8524 6.49121 -13.9836 -5.90753 TIMING: 3967600 CPU: 12861.4, 0.00310116/step Wall: 12861.4, 0.00310116/step, 0.889344 hours remaining, 236.832031 MB of memory in use. ENERGY: 3967600 3960.0456 20529.5756 14477.6634 248.0888 -203406.9755 2364.6151 0.0000 0.0000 51781.2145 -110045.7725 297.5874 -161826.9870 -109684.2998 298.1290 -57.9496 -23.7050 760017.1532 -15.3035 -15.1296 PRESSURE: 3967800 -99.5207 -40.8684 293.81 -40.8684 -132.158 9.63708 293.81 9.63666 182.531 GPRESSURE: 3967800 75.4271 -22.0906 256.261 -110.221 -239.945 63.8508 286.696 74.2372 164.476 PRESSAVG: 3967800 27.2662 67.7223 -19.1067 67.7223 -59.3256 -14.3295 -19.1067 -14.3296 -5.15432 GPRESSAVG: 3967800 28.2088 68.0194 -17.5326 67.6648 -60.1087 -12.7459 -19.797 -17.0893 -5.65129 TIMING: 3967800 CPU: 12862, 0.0031294/step Wall: 12862, 0.0031294/step, 0.897268 hours remaining, 236.832031 MB of memory in use. ENERGY: 3967800 3990.1293 20491.7847 14546.2114 240.7579 -203732.7028 2568.2189 0.0000 0.0000 51995.3704 -109900.2301 298.8181 -161895.6005 -109545.0453 298.6336 -16.3824 -0.0139 759956.4995 -12.4046 -12.5171 PRESSURE: 3968000 97.6974 37.1842 58.3551 37.1839 24.8687 -98.7627 58.355 -98.7624 391.974 GPRESSURE: 3968000 31.8742 21.9635 45.6466 58.7404 118.339 71.1845 -19.1001 -191.044 440.799 PRESSAVG: 3968000 -10.7682 9.62148 23.8675 9.62153 20.4129 42.817 23.8675 42.817 -9.21014 GPRESSAVG: 3968000 -12.6499 8.74309 22.6912 10.1843 20.5011 42.0509 27.1822 44.0872 -8.08412 TIMING: 3968000 CPU: 12862.6, 0.00311304/step Wall: 12862.6, 0.00311304/step, 0.892404 hours remaining, 236.832031 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: 3968000 3981.5611 20562.9824 14496.8146 239.6146 -203564.9656 2666.8370 0.0000 0.0000 51732.4409 -109884.7149 297.3070 -161617.1558 -109539.6174 298.5061 171.5132 197.0042 759016.1110 0.1448 -0.0777 PRESSURE: 3968200 -464.553 29.9527 11.1694 29.952 36.3125 101.788 11.1686 101.789 256.84 GPRESSURE: 3968200 -311.971 -35.5699 -5.98943 36.1072 3.41922 -4.8023 -45.3854 14.5614 234.497 PRESSAVG: 3968200 2.15028 28.1509 -6.20632 28.1509 17.9013 -30.2976 -6.20621 -30.2977 24.0149 GPRESSAVG: 3968200 2.2148 28.2231 -5.985 27.018 18.7866 -30.0096 -8.93036 -30.7069 24.0221 TIMING: 3968200 CPU: 12863.2, 0.00311705/step Wall: 12863.2, 0.00311705/step, 0.893382 hours remaining, 236.832031 MB of memory in use. ENERGY: 3968200 4023.5248 20503.3447 14364.5507 283.8037 -202996.0516 2188.9946 0.0000 0.0000 51703.0122 -109928.8209 297.1379 -161631.8331 -109571.4194 298.1823 -57.1336 -24.6851 760687.0532 14.6888 15.0078 LDB: ============= START OF LOAD BALANCING ============== 12875.6 LDB: ============== END OF LOAD BALANCING =============== 12875.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12875.6 LDB: ============= START OF LOAD BALANCING ============== 12876 LDB: Largest compute 7068 load 0.032537 is 16.6% of average load 0.195564 LDB: Average compute 0.004416 is 2.3% of average load 0.195564 LDB: TIME 12876 LOAD: AVG 0.195564 MAX 0.215839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 12876 LOAD: AVG 0.195564 MAX 0.215839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 12876 LOAD: AVG 0.195564 MAX 0.215839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 12876 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12876 PRESSURE: 3968400 -3.73555 104.656 -23.2759 104.657 176.911 -278.427 -23.2761 -278.427 -576.365 GPRESSURE: 3968400 11.4922 213.173 -64.2989 105.433 181.313 -193.02 43.567 -284.081 -516.599 PRESSAVG: 3968400 14.1995 2.06273 9.87138 2.06272 22.9571 1.42592 9.87136 1.42584 -3.48367 GPRESSAVG: 3968400 16.1681 3.04033 9.85562 2.80315 22.649 1.49117 9.99113 0.791424 -4.93968 TIMING: 3968400 CPU: 12863.9, 0.00317538/step Wall: 12863.9, 0.00317538/step, 0.909922 hours remaining, 233.910156 MB of memory in use. ENERGY: 3968400 3994.7088 20797.1718 14389.3432 261.6204 -203697.7738 2720.7507 0.0000 0.0000 51832.9896 -109701.1894 297.8849 -161534.1790 -109357.3689 298.5663 -134.3965 -107.9311 760450.3969 11.2243 11.2925 PRESSURE: 3968600 47.1925 105.614 338.173 105.613 -105.804 -66.1498 338.172 -66.15 -375.707 GPRESSURE: 3968600 134.254 71.8819 307.3 145.266 -96.4887 -37.7859 272.398 44.3952 -386.047 PRESSAVG: 3968600 13.0834 10.2037 55.3487 10.2037 19.5177 -42.684 55.3487 -42.684 -22.4485 GPRESSAVG: 3968600 12.3103 10.9465 56.5998 9.60375 19.3309 -43.1837 53.8957 -40.2837 -21.5898 TIMING: 3968600 CPU: 12864.5, 0.00313573/step Wall: 12864.5, 0.00313573/step, 0.898386 hours remaining, 233.910156 MB of memory in use. ENERGY: 3968600 3992.1804 20714.3402 14377.9021 248.1076 -203436.3442 2647.4053 0.0000 0.0000 51830.9380 -109625.4707 297.8731 -161456.4087 -109262.2235 299.0277 -144.7729 -116.0939 761158.1931 3.3842 3.3505 PRESSURE: 3968800 47.7166 -240.889 -25.8242 -240.888 32.1095 221.721 -25.825 221.72 -468.856 GPRESSURE: 3968800 75.7756 -305.574 -83.3183 -151.625 47.7226 227.461 96.204 250.601 -436.324 PRESSAVG: 3968800 30.536 -10.3239 41.3242 -10.3239 -12.0641 -28.3085 41.3242 -28.3085 -1.44366 GPRESSAVG: 3968800 31.2775 -12.0996 41.3141 -10.8811 -12.56 -28.4858 42.6119 -29.5358 -1.45399 TIMING: 3968800 CPU: 12865.1, 0.00310675/step Wall: 12865.1, 0.00310675/step, 0.889913 hours remaining, 233.980469 MB of memory in use. ENERGY: 3968800 3984.0815 20497.6284 14453.9155 239.3547 -203035.4829 2296.8735 0.0000 0.0000 52125.9418 -109437.6874 299.5685 -161563.6292 -109073.5716 299.1996 -129.6765 -104.2751 762178.2198 5.6761 5.7545 PRESSURE: 3969000 27.8313 90.2832 43.7631 90.2829 126.941 -218.358 43.7625 -218.358 73.2258 GPRESSURE: 3969000 -5.34737 10.917 43.9406 51.684 186.476 -155.15 114.615 -254.266 143.643 PRESSAVG: 3969000 -12.5655 13.3951 -5.80558 13.3951 20.2188 -9.32987 -5.80555 -9.32991 19.0285 GPRESSAVG: 3969000 -11.976 14.3567 -6.59341 12.4169 18.7149 -9.61115 -5.08935 -11.0007 19.9292 TIMING: 3969000 CPU: 12865.7, 0.00310879/step Wall: 12865.7, 0.00310879/step, 0.890322 hours remaining, 234.183594 MB of memory in use. ENERGY: 3969000 3997.2396 20498.9825 14460.0908 239.3044 -203433.9361 2640.3058 0.0000 0.0000 52078.3866 -109519.6264 299.2952 -161598.0130 -109156.7917 299.1495 75.9995 108.2573 759805.0214 8.8939 8.8894 PRESSURE: 3969200 -464.495 29.6651 129.935 29.665 329.19 -124.982 129.934 -124.984 127.651 GPRESSURE: 3969200 -377.348 30.6116 130.906 29.1037 348.22 -127.286 -26.3592 -89.3679 128.782 PRESSAVG: 3969200 1.69013 50.9896 37.1023 50.9896 11.6822 -7.55624 37.1022 -7.55624 4.5325 GPRESSAVG: 3969200 0.879849 50.2876 36.3486 50.9694 14.3146 -8.20695 36.8165 -7.04602 3.01022 TIMING: 3969200 CPU: 12866.4, 0.0031113/step Wall: 12866.4, 0.0031113/step, 0.89087 hours remaining, 234.183594 MB of memory in use. ENERGY: 3969200 3967.7767 20612.7849 14426.8044 253.5308 -203241.4093 2777.8506 0.0000 0.0000 52046.9930 -109155.6689 299.1148 -161202.6619 -108804.3752 298.9235 -2.5514 33.2178 760753.7136 5.9683 6.0682 PRESSURE: 3969400 -186.325 61.2815 61.429 61.2818 -305.341 52.6574 61.4297 52.6565 -411.329 GPRESSURE: 3969400 -223.467 -20.4907 47.9276 76.3364 -184.691 43.5357 68.2382 -217.931 -414.738 PRESSAVG: 3969400 -0.95698 1.77462 17.2818 1.77462 15.7496 1.66086 17.2817 1.66088 22.8126 GPRESSAVG: 3969400 -0.218669 2.62297 18.4506 0.601849 14.3929 2.3691 17.0134 1.26646 23.633 TIMING: 3969400 CPU: 12867, 0.00312812/step Wall: 12867, 0.00312812/step, 0.895512 hours remaining, 234.183594 MB of memory in use. ENERGY: 3969400 4021.2019 20384.0784 14495.9161 231.6641 -203141.4864 2509.2918 0.0000 0.0000 52285.5299 -109213.8043 300.4857 -161499.3342 -108846.8346 299.6728 -300.9983 -274.2986 762150.3499 12.5351 12.6024 PRESSURE: 3969600 223.009 137.512 115.125 137.513 -70.6016 118.83 115.125 118.83 -182.51 GPRESSURE: 3969600 237.364 170.477 56.6007 293.856 -7.869 9.93529 160.812 184.526 -150.042 PRESSAVG: 3969600 65.7185 27.6833 56.2474 27.6832 -57.4021 -53.4514 56.2475 -53.4514 7.65083 GPRESSAVG: 3969600 64.9327 28.6656 54.7477 29.5056 -58.3767 -53.9534 57.7779 -52.1405 9.43259 TIMING: 3969600 CPU: 12867.6, 0.00310096/step Wall: 12867.6, 0.00310096/step, 0.887564 hours remaining, 234.183594 MB of memory in use. ENERGY: 3969600 4031.1928 20557.2022 14434.6677 252.4267 -203089.9583 2434.4842 0.0000 0.0000 52251.5164 -109128.4682 300.2902 -161379.9846 -108754.0116 300.2967 -10.0339 26.4843 761705.4505 5.3224 5.3295 PRESSURE: 3969800 -37.9314 29.1401 -86.532 29.1394 -200.399 -8.70001 -86.532 -8.70078 2.87009 GPRESSURE: 3969800 -72.1974 68.6485 -110.207 30.6342 -85.7218 -41.294 -57.5786 0.659704 -4.06397 PRESSAVG: 3969800 36.0725 33.9771 39.0112 33.9771 -80.566 -22.9943 39.0113 -22.9943 -18.9807 GPRESSAVG: 3969800 36.7337 32.781 40.0833 33.6821 -79.4348 -21.2761 40.3421 -23.9844 -21.1939 TIMING: 3969800 CPU: 12868.2, 0.00310444/step Wall: 12868.2, 0.00310444/step, 0.888388 hours remaining, 234.183594 MB of memory in use. ENERGY: 3969800 3985.6184 20528.2565 14414.2970 253.6122 -203211.4078 2717.7012 0.0000 0.0000 52138.1416 -109173.7809 299.6386 -161311.9225 -108802.8280 299.6922 -78.4867 -53.9944 762673.5272 -21.1581 -21.2983 PRESSURE: 3970000 505.681 -200.252 -179.409 -200.252 175.002 25.2376 -179.409 25.2374 -112.748 GPRESSURE: 3970000 474.383 -226.164 -194.627 -80.5775 258.848 27.8302 -229.296 -95.2337 -88.4237 PRESSAVG: 3970000 -54.5907 3.23516 -14.5531 3.23517 23.3774 -37.3999 -14.5532 -37.3999 11.9051 GPRESSAVG: 3970000 -52.5145 3.11716 -13.8504 5.48332 22.7804 -39.5225 -18.6207 -36.369 10.599 TIMING: 3970000 CPU: 12868.9, 0.00313906/step Wall: 12868.9, 0.00313906/step, 0.898121 hours remaining, 234.183594 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: 3970000 4025.9498 20418.5699 14423.9614 240.8300 -203225.8759 2591.6185 0.0000 0.0000 52221.5429 -109303.4033 300.1179 -161524.9462 -108943.3219 299.4954 189.3119 214.9359 761204.1958 -6.4361 -6.3784 PRESSURE: 3970200 -1.38303 33.5359 -10.8214 33.5361 -240.556 -145.95 -10.8212 -145.951 334.135 GPRESSURE: 3970200 14.724 -36.7725 3.15646 101.174 -236.995 -128.368 26.7576 -45.6407 386.198 PRESSAVG: 3970200 78.6522 -34.756 13.8666 -34.756 -89.4228 -18.0119 13.8666 -18.012 7.57194 GPRESSAVG: 3970200 75.7794 -34.4008 12.695 -36.8383 -87.9814 -14.7264 16.195 -20.0784 8.74439 TIMING: 3970200 CPU: 12869.5, 0.00311877/step Wall: 12869.5, 0.00311877/step, 0.892143 hours remaining, 234.183594 MB of memory in use. ENERGY: 3970200 3926.3854 20595.6679 14424.8528 252.7719 -203394.8246 2488.5311 0.0000 0.0000 52296.8139 -109409.8015 300.5505 -161706.6154 -109041.3160 299.4062 30.7322 54.6423 761579.4135 -1.0662 -1.1525 PRESSURE: 3970400 404.217 183.238 171.88 183.238 -105.273 139.969 171.88 139.969 93.7162 GPRESSURE: 3970400 362.87 318.768 241.4 180.705 -51.3057 120.287 112.79 36.6003 152.836 PRESSAVG: 3970400 72.6035 -14.5497 23.567 -14.5497 -51.9297 -18.3701 23.567 -18.37 -3.98239 GPRESSAVG: 3970400 73.9684 -14.3201 24.857 -16.1105 -53.6878 -19.5065 21.9206 -16.1437 -3.8589 TIMING: 3970400 CPU: 12870.1, 0.00311993/step Wall: 12870.1, 0.00311993/step, 0.892299 hours remaining, 234.183594 MB of memory in use. ENERGY: 3970400 3968.5328 20615.1229 14461.5915 241.8874 -203456.9761 2716.2996 0.0000 0.0000 52142.1988 -109311.3431 299.6619 -161453.5419 -108950.5368 299.7063 130.8868 154.8001 762469.6116 5.5638 5.4739 PRESSURE: 3970600 108.016 -84.1215 -7.98755 -84.1209 -397.199 116.691 -7.98726 116.692 108.418 GPRESSURE: 3970600 179.755 -218.513 16.2764 -124.425 -309.316 178.215 -148.332 -65.7077 46.1225 PRESSAVG: 3970600 41.8157 -62.9606 -29.2139 -62.9606 -44.5243 -19.5275 -29.2138 -19.5276 -2.12428 GPRESSAVG: 3970600 41.0918 -60.7128 -31.6941 -61.9111 -44.2926 -20.3478 -29.0529 -20.2874 -1.21716 TIMING: 3970600 CPU: 12870.7, 0.00311393/step Wall: 12870.7, 0.00311393/step, 0.89041 hours remaining, 234.183594 MB of memory in use. ENERGY: 3970600 3985.0447 20545.8933 14466.0104 257.1202 -203391.6421 2403.5985 0.0000 0.0000 52487.2228 -109246.7521 301.6448 -161733.9749 -108883.6325 299.8252 -60.2550 -27.8129 762141.9964 -1.6110 -1.4727 PRESSURE: 3970800 267.439 58.7994 -193.933 58.7991 -302.911 -37.4063 -193.934 -37.406 -68.6804 GPRESSURE: 3970800 255.527 46.4814 -188.208 -8.09805 -185.063 -4.96999 -128.477 -106.956 -115.555 PRESSAVG: 3970800 6.74577 -37.7841 -48.9397 -37.7842 7.50352 -7.05089 -48.9396 -7.05091 -3.93081 GPRESSAVG: 3970800 5.10783 -39.7732 -48.5392 -38.2738 9.12733 -4.80686 -46.1723 -6.73196 -4.20315 TIMING: 3970800 CPU: 12871.3, 0.00313189/step Wall: 12871.3, 0.00313189/step, 0.895371 hours remaining, 234.183594 MB of memory in use. ENERGY: 3970800 3989.1664 20550.3223 14440.0536 236.4358 -203111.7985 2296.5498 0.0000 0.0000 52009.5662 -109589.7043 298.8997 -161599.2705 -109222.0476 299.3364 -34.7176 -15.0302 761819.3943 3.4395 3.3440 PRESSURE: 3971000 15.1137 -184.709 -43.163 -184.709 -293.868 -176.623 -43.1618 -176.623 -492.034 GPRESSURE: 3971000 16.5586 -148.631 0.0288023 -142.368 -189.333 -194.598 -172.023 -156.462 -509.139 PRESSAVG: 3971000 -10.3291 -49.7755 -26.3833 -49.7755 2.80841 29.4741 -26.3833 29.4742 1.79586 GPRESSAVG: 3971000 -10.2265 -49.7191 -25.708 -50.3098 2.16636 27.6834 -26.0811 28.487 1.87262 TIMING: 3971000 CPU: 12872, 0.00310475/step Wall: 12872, 0.00310475/step, 0.887442 hours remaining, 234.183594 MB of memory in use. ENERGY: 3971000 4024.0568 20426.8736 14466.1818 249.4711 -203289.1934 2772.0424 0.0000 0.0000 51922.5524 -109428.0154 298.3996 -161350.5678 -109069.0015 298.7754 -256.9293 -227.3045 762520.8310 -1.9083 -2.0625 PRESSURE: 3971200 -32.1976 -119.795 -340.882 -119.795 -28.9688 240.735 -340.882 240.733 -285.681 GPRESSURE: 3971200 44.8714 -109.128 -357.334 -167.943 -30.5525 231.883 -273.794 199.258 -273.991 PRESSAVG: 3971200 65.4314 -42.6834 25.428 -42.6834 -52.196 -7.78256 25.428 -7.78256 2.42716 GPRESSAVG: 3971200 65.9995 -42.6756 25.4346 -41.5522 -51.9299 -6.27169 23.2793 -6.90948 1.19635 TIMING: 3971200 CPU: 12872.6, 0.00311989/step Wall: 12872.6, 0.00311989/step, 0.891596 hours remaining, 234.183594 MB of memory in use. ENERGY: 3971200 4090.0492 20642.9696 14471.2399 236.4270 -203489.2492 2691.3499 0.0000 0.0000 51950.7567 -109406.4570 298.5617 -161357.2137 -109047.8306 299.2711 -115.6157 -86.5572 762896.2856 5.2208 5.0886 PRESSURE: 3971400 53.8596 -209.859 -109.145 -209.858 321.999 -90.6258 -109.144 -90.6268 -34.6358 GPRESSURE: 3971400 55.3017 -129.212 -86.09 -182.286 395.033 -62.5238 -62.9863 -96.5301 -22.97 PRESSAVG: 3971400 48.7727 -72.4687 -2.25751 -72.4687 -54.5884 28.8719 -2.25755 28.8719 11.0588 GPRESSAVG: 3971400 48.4884 -72.5022 -3.67085 -71.4702 -55.9615 30.1893 0.359122 27.5213 12.4381 TIMING: 3971400 CPU: 12873.2, 0.00309613/step Wall: 12873.2, 0.00309613/step, 0.884632 hours remaining, 234.183594 MB of memory in use. ENERGY: 3971400 3998.8750 20505.9667 14464.8563 239.4738 -203420.1503 2938.6134 0.0000 0.0000 51962.3965 -109309.9686 298.6286 -161272.3651 -108950.3109 299.9276 113.7408 142.4550 763294.0962 1.7477 1.6550 PRESSURE: 3971600 45.1465 -46.0514 40.1073 -46.0515 -294.74 -9.88432 40.1079 -9.88399 -250.678 GPRESSURE: 3971600 -29.2535 -17.0204 31.2775 -3.38378 -160.61 -35.8087 53.5507 35.563 -225.404 PRESSAVG: 3971600 54.7317 -4.45045 8.29591 -4.45044 -9.21192 -52.5677 8.29588 -52.5678 -15.092 GPRESSAVG: 3971600 53.7242 -3.05811 7.29143 -5.78937 -7.24113 -55.1922 8.709 -50.282 -15.6722 TIMING: 3971600 CPU: 12873.8, 0.0030962/step Wall: 12873.8, 0.0030962/step, 0.884482 hours remaining, 234.183594 MB of memory in use. ENERGY: 3971600 4039.5140 20591.9125 14462.9333 255.3487 -203276.2981 2489.1508 0.0000 0.0000 52114.6479 -109322.7908 299.5036 -161437.4387 -108963.8005 299.3765 -166.7572 -138.4223 762004.0210 10.1426 10.2703 PRESSURE: 3971800 36.0374 116.507 51.7697 116.507 308.899 -136.88 51.7701 -136.881 -60.836 GPRESSURE: 3971800 123.737 180.17 74.873 145.4 340.271 13.7755 -6.8254 -111.104 -96.3088 PRESSAVG: 3971800 46.5669 -28.8948 50.3578 -28.8948 -45.0712 -38.605 50.3577 -38.6049 1.74155 GPRESSAVG: 3971800 47.1406 -28.7538 51.2582 -29.7712 -46.4811 -39.3356 48.6603 -39.7243 2.80205 TIMING: 3971800 CPU: 12874.5, 0.00311374/step Wall: 12874.5, 0.00311374/step, 0.889318 hours remaining, 234.183594 MB of memory in use. ENERGY: 3971800 4010.8296 20641.3345 14470.7419 241.4835 -203638.7194 2734.2107 0.0000 0.0000 51981.9909 -109558.1281 298.7412 -161540.1191 -109199.9719 298.9264 94.7000 122.5662 762305.9879 1.0791 1.1538 PRESSURE: 3972000 210.255 127 -16.6957 126.999 -247.656 179.739 -16.6952 179.74 -1.97728 GPRESSURE: 3972000 225.051 111.562 -12.9549 169.806 -157.534 88.6178 18.9963 20.4741 -21.5002 PRESSAVG: 3972000 55.3752 3.10135 -0.508159 3.10131 -8.62665 -42.4968 -0.50819 -42.4968 34.0891 GPRESSAVG: 3972000 56.1521 3.62902 0.418523 2.59637 -7.20659 -41.7554 -0.142856 -41.4412 31.6416 TIMING: 3972000 CPU: 12875.1, 0.00312298/step Wall: 12875.1, 0.00312298/step, 0.891784 hours remaining, 234.183594 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: 3972000 3984.7690 20579.2733 14456.6606 246.6593 -203586.8207 2804.9278 0.0000 0.0000 51945.4064 -109569.1243 298.5310 -161514.5307 -109210.2191 298.6573 -13.1261 15.3388 761888.1532 26.9459 26.8624 PRESSURE: 3972200 -123.255 -24.8923 -230.604 -24.8929 -90.4787 -86.4376 -230.605 -86.4373 37.7963 GPRESSURE: 3972200 -65.3435 108.044 -185.993 -78.3807 -30.0431 -126.756 -165.283 -13.3653 -0.901427 PRESSAVG: 3972200 17.6378 -27.6704 -15.7537 -27.6704 -56.763 -41.8151 -15.7536 -41.8151 -6.46851 GPRESSAVG: 3972200 17.714 -28.1914 -15.6769 -26.2312 -57.8824 -40.5572 -16.5946 -43.5422 -4.71963 TIMING: 3972200 CPU: 12875.7, 0.0031275/step Wall: 12875.7, 0.0031275/step, 0.892901 hours remaining, 234.183594 MB of memory in use. ENERGY: 3972200 4006.3836 20578.0762 14554.5563 245.3461 -203729.5362 2782.1049 0.0000 0.0000 51956.2133 -109606.8558 298.5931 -161563.0690 -109237.1673 298.7796 -58.6458 -32.0960 762127.5047 -15.1979 -14.9627 LDB: ============= START OF LOAD BALANCING ============== 12888.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12888.1 LDB: =============== DONE WITH MIGRATION ================ 12888.1 LDB: ============= START OF LOAD BALANCING ============== 12888.4 LDB: Largest compute 7068 load 0.034377 is 17.6% of average load 0.195604 LDB: Average compute 0.004397 is 2.2% of average load 0.195604 LDB: TIME 12888.4 LOAD: AVG 0.195604 MAX 0.21394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 12888.4 LOAD: AVG 0.195604 MAX 0.21394 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 12888.4 LOAD: AVG 0.195604 MAX 0.21394 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 12888.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12888.4 PRESSURE: 3972400 258.866 26.4855 -52.6716 26.4859 649.808 -263.38 -52.672 -263.381 -62.9022 GPRESSURE: 3972400 323.139 -80.4163 -76.8697 15.4202 593.95 -227.064 -111.071 -200.647 6.29343 PRESSAVG: 3972400 54.1375 -19.0589 -1.92771 -19.0589 -15.0348 -20.8647 -1.92776 -20.8647 20.1456 GPRESSAVG: 3972400 56.6172 -19.0955 -1.19762 -20.0486 -16.3845 -21.3407 -2.93812 -19.8638 19.06 TIMING: 3972400 CPU: 12876.3, 0.00318545/step Wall: 12876.3, 0.00318545/step, 0.909269 hours remaining, 234.812500 MB of memory in use. ENERGY: 3972400 3961.3080 20617.3094 14486.2174 252.3909 -203724.5866 2846.1383 0.0000 0.0000 51926.6706 -109634.5520 298.4233 -161561.2226 -109272.7350 299.0951 281.9240 307.7940 760349.8403 19.7494 19.7642 PRESSURE: 3972600 250.005 -65.5752 -132.939 -65.5759 183.475 -95.4004 -132.938 -95.4008 -21.6055 GPRESSURE: 3972600 349.835 -236.773 -101.406 -37.1221 182.048 -101.29 -133.916 -115.396 -49.6283 PRESSAVG: 3972600 55.6932 -43.1477 -50.1686 -43.1477 -26.0583 -47.2128 -50.1687 -47.2129 -6.31879 GPRESSAVG: 3972600 53.4447 -42.7977 -50.859 -43.6317 -24.7281 -46.85 -49.036 -48.1144 -5.49592 TIMING: 3972600 CPU: 12877, 0.00311244/step Wall: 12877, 0.00311244/step, 0.888256 hours remaining, 234.953125 MB of memory in use. ENERGY: 3972600 3917.2214 20498.7911 14527.3941 242.7952 -203852.3980 2872.3292 0.0000 0.0000 52164.3289 -109629.5382 299.7891 -161793.8671 -109260.7248 298.8710 137.2914 160.7515 760771.0980 7.7720 7.7402 PRESSURE: 3972800 -7.51599 104.197 -134.717 104.197 35.79 -271.782 -134.718 -271.782 -22.3907 GPRESSURE: 3972800 -9.49762 142.268 -117.138 21.2333 68.1537 -248.397 -186.61 -292.881 53.0415 PRESSAVG: 3972800 45.3557 -37.2184 19.3965 -37.2184 -0.637653 -2.77258 19.3966 -2.77265 1.76896 GPRESSAVG: 3972800 45.8357 -39.0143 19.0259 -36.7719 0.203142 -1.32038 20.1163 -1.45599 1.07902 TIMING: 3972800 CPU: 12877.6, 0.00311875/step Wall: 12877.6, 0.00311875/step, 0.889884 hours remaining, 234.953125 MB of memory in use. ENERGY: 3972800 3952.7000 20429.6107 14568.9811 256.6847 -203528.4118 2420.7567 0.0000 0.0000 52215.4162 -109684.2623 300.0827 -161899.6785 -109317.2760 298.0491 1.9611 37.2325 759635.3965 15.4957 15.7060 PRESSURE: 3973000 -234.79 -184.524 -12.3599 -184.524 -31.8869 -61.5582 -12.3601 -61.5581 88.1501 GPRESSURE: 3973000 -172.836 -132.838 -32.4891 -184.007 -19.2821 -11.9097 -4.04586 -78.8515 109.053 PRESSAVG: 3973000 12.5195 6.14515 -9.53443 6.14503 -53.2786 -1.32046 -9.53441 -1.32046 4.1196 GPRESSAVG: 3973000 12.6109 6.76871 -9.22732 6.63432 -54.1751 -2.40994 -11.2788 -2.91634 4.80835 TIMING: 3973000 CPU: 12878.2, 0.00311113/step Wall: 12878.2, 0.00311113/step, 0.887536 hours remaining, 234.953125 MB of memory in use. ENERGY: 3973000 4005.1208 20574.6965 14502.1274 230.8996 -203404.4811 2345.9012 0.0000 0.0000 51900.9345 -109844.8012 298.2754 -161745.7356 -109477.6557 298.4738 -59.5089 -27.6882 761402.6770 -12.2132 -12.2519 PRESSURE: 3973200 -119.33 -73.7832 78.1699 -73.7838 -322.001 -3.38205 78.1693 -3.38297 99.1911 GPRESSURE: 3973200 -32.2413 -123.952 89.2522 -58.7589 -268.664 6.81322 102.016 24.8592 46.0729 PRESSAVG: 3973200 66.8292 -49.5505 64.2318 -49.5506 -58.1574 -75.7799 64.2318 -75.7798 7.49388 GPRESSAVG: 3973200 66.8899 -49.7125 64.6414 -48.9292 -56.9248 -77.5284 65.711 -73.4239 6.54477 TIMING: 3973200 CPU: 12878.8, 0.00312792/step Wall: 12878.8, 0.00312792/step, 0.892151 hours remaining, 234.953125 MB of memory in use. ENERGY: 3973200 3952.8261 20545.5848 14362.9871 256.8573 -203460.2624 2566.9259 0.0000 0.0000 51929.6854 -109845.3958 298.4406 -161775.0812 -109483.6594 298.1860 -114.0467 -84.9441 761415.3972 5.3886 5.5033 PRESSURE: 3973400 194.199 -276.753 -24.6468 -276.752 144.744 73.4986 -24.6471 73.4995 415.436 GPRESSURE: 3973400 232.759 -201.479 -68.9971 -127.916 183.997 39.7305 -6.60454 48.723 429.879 PRESSAVG: 3973400 33.3097 -41.2624 38.4886 -41.2624 -23.0628 -17.1434 38.4885 -17.1434 -1.08615 GPRESSAVG: 3973400 32.8502 -41.3329 37.4499 -40.9357 -23.2572 -16.5952 39.5444 -17.0157 -0.187165 TIMING: 3973400 CPU: 12879.5, 0.00312815/step Wall: 12879.5, 0.00312815/step, 0.892043 hours remaining, 234.953125 MB of memory in use. ENERGY: 3973400 3927.1703 20452.9880 14493.2467 260.2447 -203624.2530 2744.2163 0.0000 0.0000 51867.9310 -109878.4561 298.0857 -161746.3871 -109516.1925 298.0994 251.4598 282.2116 760492.3502 3.0536 3.1353 PRESSURE: 3973600 277.948 -35.5684 76.5831 -35.5673 297.004 48.2583 76.5832 48.2588 113.383 GPRESSURE: 3973600 233.462 23.1095 47.6992 -63.8612 385.871 30.4246 -90.3873 149.028 158.672 PRESSAVG: 3973600 44.4304 -42.4506 20.5361 -42.4506 -56.7784 -30.4734 20.5361 -30.4734 16.8374 GPRESSAVG: 3973600 45.4158 -39.956 20.5704 -44.6588 -57.8307 -30.8785 17.9311 -30.9762 17.2333 TIMING: 3973600 CPU: 12880.1, 0.00314079/step Wall: 12880.1, 0.00314079/step, 0.895475 hours remaining, 234.953125 MB of memory in use. ENERGY: 3973600 4031.5040 20452.7904 14456.1092 258.1436 -204022.8904 3037.7137 0.0000 0.0000 52030.4476 -109756.1819 299.0197 -161786.6295 -109395.6929 298.1836 229.4449 259.3350 761965.0528 1.4965 1.6061 PRESSURE: 3973800 66.4572 147.965 -104.081 147.964 199.855 392.526 -104.08 392.526 253.136 GPRESSURE: 3973800 92.3992 148.243 -41.7295 167.503 186.195 256.77 -70.2421 395.999 325.443 PRESSAVG: 3973800 0.674433 -14.2136 5.19946 -14.2136 29.3365 1.09249 5.19945 1.09254 18.2746 GPRESSAVG: 3973800 0.235722 -16.2983 7.29322 -10.5108 30.837 1.75155 5.57122 -0.66804 17.2728 TIMING: 3973800 CPU: 12880.7, 0.00313031/step Wall: 12880.7, 0.00313031/step, 0.892313 hours remaining, 234.953125 MB of memory in use. ENERGY: 3973800 3926.5049 20469.1936 14476.2329 240.6434 -203460.5653 2472.4870 0.0000 0.0000 52023.1206 -109852.3829 298.9776 -161875.5035 -109485.3328 298.6988 173.1492 201.3456 760760.2858 16.0952 16.1152 PRESSURE: 3974000 -381.863 39.7918 63.527 39.7922 -423.495 -115.863 63.5271 -115.864 -6.69463 GPRESSURE: 3974000 -334.84 -54.6626 24.4551 -26.3625 -300.529 -177.302 -22.5257 -20.1998 -75.5911 PRESSAVG: 3974000 -12.5529 53.747 -29.0648 53.7471 -18.9025 21.6139 -29.0647 21.6138 -7.10279 GPRESSAVG: 3974000 -12.1898 51.22 -30.7879 50.9892 -19.4507 21.9454 -27.4157 22.8211 -6.80394 TIMING: 3974000 CPU: 12881.3, 0.00312766/step Wall: 12881.3, 0.00312766/step, 0.891382 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3974000 4036.8952 20402.8728 14522.0539 236.1700 -203596.9500 2503.9872 0.0000 0.0000 52083.9066 -109811.0642 299.3269 -161894.9709 -109443.9325 298.4242 -270.6843 -236.9868 761862.0116 -12.8527 -12.8148 PRESSURE: 3974200 -172.745 -1.60122 84.5376 -1.60135 -279.973 -337.328 84.5377 -337.328 -115.98 GPRESSURE: 3974200 -188.589 29.5561 92.4849 23.118 -143.641 -219.187 58.833 -244.722 -137.056 PRESSAVG: 3974200 -40.8319 -3.37336 -34.9017 -3.37333 51.3943 -20.7583 -34.9017 -20.7583 -18.9758 GPRESSAVG: 3974200 -41.0303 0.594752 -33.4801 -4.42171 51.9359 -21.948 -37.0987 -19.7806 -19.7375 TIMING: 3974200 CPU: 12882, 0.00309846/step Wall: 12882, 0.00309846/step, 0.882888 hours remaining, 234.953125 MB of memory in use. ENERGY: 3974200 3964.8892 20522.5725 14476.6326 247.2093 -202961.3898 2345.4434 0.0000 0.0000 51744.8168 -109659.8260 297.3782 -161404.6428 -109295.5273 298.5094 -189.5660 -156.4285 762885.4863 -2.8045 -2.9440 PRESSURE: 3974400 -26.9332 26.8579 -16.2577 26.8579 -27.0886 113.147 -16.2581 113.146 -455.215 GPRESSURE: 3974400 21.5465 -61.9037 54.6303 8.82063 -51.0026 79.085 -54.5678 143.208 -424.732 PRESSAVG: 3974400 83.6763 -38.0963 -8.77923 -38.0963 -6.12972 -20.6076 -8.77921 -20.6076 -22.1881 GPRESSAVG: 3974400 83.3189 -38.8843 -9.09734 -35.4841 -6.66218 -21.4645 -6.44975 -20.4198 -21.2208 TIMING: 3974400 CPU: 12882.6, 0.00311734/step Wall: 12882.6, 0.00311734/step, 0.888097 hours remaining, 234.953125 MB of memory in use. ENERGY: 3974400 3908.2244 20573.9836 14463.3942 247.8258 -202929.9547 2263.2504 0.0000 0.0000 51912.0470 -109561.2292 298.3392 -161473.2763 -109201.3684 298.7055 -169.7455 -151.3961 761723.9134 18.4528 18.4786 PRESSURE: 3974600 -87.5889 85.9109 -201.253 85.9117 -71.9389 84.3404 -201.254 84.3409 219.676 GPRESSURE: 3974600 1.95743 152.578 -124.121 68.3301 13.5319 119.499 -350.54 51.0051 126.319 PRESSAVG: 3974600 21.163 69.8283 -26.1438 69.8283 -26.5531 10.5108 -26.1437 10.5109 -10.7574 GPRESSAVG: 3974600 22.0434 70.5814 -24.6537 67.717 -26.396 11.6472 -27.963 9.66214 -11.3946 TIMING: 3974600 CPU: 12883.2, 0.0031288/step Wall: 12883.2, 0.0031288/step, 0.891186 hours remaining, 234.953125 MB of memory in use. ENERGY: 3974600 3920.7654 20523.8010 14527.2361 248.1993 -203701.7327 2652.8319 0.0000 0.0000 52316.3560 -109512.5431 300.6628 -161828.8991 -109147.1353 299.0230 20.0495 47.2694 761089.0678 -5.3825 -5.2491 PRESSURE: 3974800 -124.436 6.22193 -45.9259 6.22214 -88.3923 82.3711 -45.9261 82.3723 10.7467 GPRESSURE: 3974800 -110.794 -11.308 -12.0709 87.2811 -44.9297 75.2904 25.8966 53.712 32.8648 PRESSAVG: 3974800 1.5182 -17.3618 48.9586 -17.3618 -18.4016 -37.4145 48.9585 -37.4145 6.66855 GPRESSAVG: 3974800 0.915267 -18.5263 46.1681 -15.7429 -18.5265 -38.5437 50.6496 -38.891 7.18768 TIMING: 3974800 CPU: 12883.8, 0.00312632/step Wall: 12883.8, 0.00312632/step, 0.890307 hours remaining, 234.953125 MB of memory in use. ENERGY: 3974800 4044.4761 20522.4253 14454.5927 236.7572 -203544.2798 2487.3865 0.0000 0.0000 52084.1216 -109714.5204 299.3282 -161798.6421 -109356.8217 298.9525 -67.3607 -40.9529 758590.8609 -3.4050 -3.4745 PRESSURE: 3975000 143.135 -8.93106 -170.118 -8.93195 -434.279 -35.1902 -170.118 -35.1895 -227.195 GPRESSURE: 3975000 219.077 -63.4969 -191.739 -33.3897 -336.765 -26.1696 -203.086 2.14432 -304.859 PRESSAVG: 3975000 27.7945 -18.2799 -31.9696 -18.28 -7.0642 -8.62832 -31.9696 -8.62844 16.2954 GPRESSAVG: 3975000 27.9068 -18.7723 -30.6892 -20.8702 -7.33741 -7.8897 -32.921 -7.34404 16.2812 TIMING: 3975000 CPU: 12884.5, 0.0031319/step Wall: 12884.5, 0.0031319/step, 0.891721 hours remaining, 234.953125 MB of memory in use. ENERGY: 3975000 4009.7799 20502.0334 14398.0208 244.2710 -203637.6374 2661.2636 0.0000 0.0000 52136.5146 -109685.7541 299.6293 -161822.2686 -109324.3486 298.7189 -172.7795 -140.8489 760811.9599 12.3419 12.2835 PRESSURE: 3975200 -215.898 8.00871 136.932 8.00892 -369.496 -153.852 136.933 -153.853 -104.337 GPRESSURE: 3975200 -136.885 24.8096 197.55 38.4413 -293.134 -46.2726 63.238 -147.742 -158.301 PRESSAVG: 3975200 28.8747 -38.1354 -11.1991 -38.1355 -69.1602 -20.6981 -11.1992 -20.6982 14.2013 GPRESSAVG: 3975200 28.6787 -38.3905 -12.5831 -35.775 -69.0356 -21.3722 -11.5311 -21.4961 14.1379 TIMING: 3975200 CPU: 12885.1, 0.00311604/step Wall: 12885.1, 0.00311604/step, 0.887032 hours remaining, 234.953125 MB of memory in use. ENERGY: 3975200 3967.8322 20656.9203 14533.0407 258.2822 -203105.4366 2324.4306 0.0000 0.0000 51958.3593 -109406.5713 298.6054 -161364.9306 -109056.7947 299.2758 -229.9103 -196.1068 760419.6543 -8.6947 -8.7397 PRESSURE: 3975400 69.7087 -62.0464 -75.9606 -62.0463 -128.677 170.483 -75.961 170.481 27.2044 GPRESSURE: 3975400 69.0045 -48.5181 -40.2248 -119.684 -53.8912 195.823 -30.7389 238.516 34.1605 PRESSAVG: 3975400 10.8117 -40.0563 14.6295 -40.0563 -21.9647 -25.6318 14.6296 -25.6318 -1.50979 GPRESSAVG: 3975400 11.8025 -38.9198 17.2253 -42.9597 -23.2301 -25.6635 14.8524 -25.2027 -1.78313 TIMING: 3975400 CPU: 12885.7, 0.00310588/step Wall: 12885.7, 0.00310588/step, 0.883967 hours remaining, 234.953125 MB of memory in use. ENERGY: 3975400 3956.3430 20499.7075 14506.0791 243.5061 -203074.2035 2399.3347 0.0000 0.0000 51837.9355 -109631.2977 297.9133 -161469.2332 -109282.8977 298.7748 -10.5881 16.4246 761694.7641 -4.2209 -4.4036 PRESSURE: 3975600 -559.923 -95.0883 -238.519 -95.0884 -251.827 129.935 -238.519 129.935 -155.085 GPRESSURE: 3975600 -480.449 20.1957 -343.39 -55.6932 -251.049 143.824 -200.51 135.751 -147.273 PRESSAVG: 3975600 -4.28927 -45.8643 -45.601 -45.8644 -10.0553 31.3858 -45.601 31.3857 34.1794 GPRESSAVG: 3975600 -3.75607 -45.6231 -47.1414 -44.661 -9.97522 33.3933 -44.1806 31.4929 33.7649 TIMING: 3975600 CPU: 12886.3, 0.00311608/step Wall: 12886.3, 0.00311608/step, 0.886698 hours remaining, 234.953125 MB of memory in use. ENERGY: 3975600 3957.6968 20378.8358 14482.5393 242.5906 -202928.9283 2123.5595 0.0000 0.0000 52195.7173 -109547.9890 299.9695 -161743.7062 -109182.2177 298.8189 -322.2786 -292.9236 761014.6479 6.6116 6.6779 PRESSURE: 3975800 -215.644 238.587 143.091 238.586 -55.0747 -102.92 143.092 -102.919 54.0293 GPRESSURE: 3975800 -191.848 320.549 201.266 243.805 15.4034 31.2439 191.859 -261.734 47.6897 PRESSAVG: 3975800 15.5872 -5.25908 -6.4684 -5.2591 5.94356 -30.8385 -6.4684 -30.8385 -29.5246 GPRESSAVG: 3975800 14.9361 -7.70801 -6.60287 -5.97953 7.00931 -30.6356 -8.00389 -34.0504 -29.8958 TIMING: 3975800 CPU: 12887, 0.00311101/step Wall: 12887, 0.00311101/step, 0.885082 hours remaining, 234.953125 MB of memory in use. ENERGY: 3975800 3975.7571 20395.7926 14556.0066 257.4653 -203161.4782 2500.5519 0.0000 0.0000 52154.6640 -109321.2406 299.7336 -161475.9046 -108954.4968 298.8947 -72.2300 -42.9184 761073.9856 -2.6646 -2.6501 PRESSURE: 3976000 -468.356 8.97173 141.121 8.97086 -176.112 -305.756 141.122 -305.755 -63.6689 GPRESSURE: 3976000 -393.183 -64.4216 162.242 -40.829 -148.312 -242.133 119.379 -222.726 -76.7782 PRESSAVG: 3976000 47.3379 -42.4245 13.9497 -42.4245 -1.03119 -32.8608 13.9497 -32.8607 9.63101 GPRESSAVG: 3976000 46.0632 -41.1658 14.5637 -41.209 -0.777182 -34.0144 16.0022 -30.3578 10.3648 TIMING: 3976000 CPU: 12887.6, 0.00311465/step Wall: 12887.6, 0.00311465/step, 0.885944 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3976000 3915.3713 20558.2971 14555.2162 250.0576 -202882.5341 2354.3116 0.0000 0.0000 51986.3484 -109262.9319 298.7663 -161249.2804 -108894.4551 299.6150 -236.0458 -206.0911 763248.1517 18.6459 18.5503 PRESSURE: 3976200 -65.8885 39.3779 8.44455 39.3781 55.2992 151.343 8.44562 151.343 340.437 GPRESSURE: 3976200 -62.7056 29.0472 4.92911 -13.8641 100.243 125.148 13.8538 146.558 390.803 PRESSAVG: 3976200 2.85035 -61.7649 -19.0855 -61.7649 -2.23329 0.0721269 -19.0856 0.072145 18.1147 GPRESSAVG: 3976200 2.90612 -61.8818 -17.3672 -62.8066 -2.76429 -0.437378 -22.9886 1.08833 18.5195 TIMING: 3976200 CPU: 12888.2, 0.00311427/step Wall: 12888.2, 0.00311427/step, 0.885664 hours remaining, 234.953125 MB of memory in use. ENERGY: 3976200 3985.5451 20528.4354 14503.8154 246.2365 -202992.4344 2467.3361 0.0000 0.0000 51882.9351 -109378.1308 298.1719 -161261.0660 -109021.0128 299.2387 109.9492 142.7801 761504.0261 6.2439 6.2205 LDB: ============= START OF LOAD BALANCING ============== 12900.6 LDB: ============== END OF LOAD BALANCING =============== 12900.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12900.6 LDB: ============= START OF LOAD BALANCING ============== 12900.9 LDB: Largest compute 7059 load 0.032355 is 16.5% of average load 0.195570 LDB: Average compute 0.004422 is 2.3% of average load 0.195570 LDB: TIME 12900.9 LOAD: AVG 0.19557 MAX 0.215998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 12900.9 LOAD: AVG 0.19557 MAX 0.215998 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.266 MB LDB: TIME 12900.9 LOAD: AVG 0.19557 MAX 0.215998 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.266 MB LDB: ============== END OF LOAD BALANCING =============== 12900.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12900.9 PRESSURE: 3976400 -14.2448 -49.8003 -15.4517 -49.8002 -76.174 -68.3036 -15.4509 -68.3039 -25.9629 GPRESSURE: 3976400 56.4304 -32.7094 -43.8231 5.42506 -122.14 44.589 -16.0015 -115.348 38.8216 PRESSAVG: 3976400 28.0634 -45.4554 -59.764 -45.4554 -63.0364 9.00185 -59.764 9.00181 6.401 GPRESSAVG: 3976400 29.6418 -46.5128 -60.8391 -41.6197 -64.4179 10.3544 -58.1681 8.17187 6.08606 TIMING: 3976400 CPU: 12888.8, 0.00319433/step Wall: 12888.8, 0.00319433/step, 0.908255 hours remaining, 236.285156 MB of memory in use. ENERGY: 3976400 3866.7529 20595.7299 14503.1215 240.8133 -203081.5589 2334.0215 0.0000 0.0000 52188.3161 -109352.8036 299.9270 -161541.1197 -108993.0959 299.6113 -38.7939 -8.9627 762573.3256 -9.5240 -9.5633 PRESSURE: 3976600 -404.942 19.4329 50.6201 19.4321 370.914 232.093 50.6204 232.093 -190.165 GPRESSURE: 3976600 -304.957 85.201 45.6396 36.5084 299.617 193.025 125.741 45.9905 -127.058 PRESSAVG: 3976600 61.8165 -32.0015 -27.3423 -32.0015 -30.1712 24.2568 -27.3422 24.2568 5.06574 GPRESSAVG: 3976600 61.0116 -29.4813 -27.7291 -34.8871 -29.8327 24.4035 -27.1904 25.2364 5.96885 TIMING: 3976600 CPU: 12889.5, 0.00312898/step Wall: 12889.5, 0.00312898/step, 0.889501 hours remaining, 236.285156 MB of memory in use. ENERGY: 3976600 3975.3238 20413.3046 14504.6662 238.6019 -203235.5656 2417.5299 0.0000 0.0000 52272.1851 -109413.9541 300.4090 -161686.1392 -109049.6055 299.1963 -74.7310 -44.1325 763612.9210 12.2370 12.3826 PRESSURE: 3976800 -15.5558 14.7229 36.9243 14.7224 -393.763 233.473 36.9252 233.473 -252.514 GPRESSURE: 3976800 -39.0764 44.4884 116.503 14.099 -277.76 200.457 -1.73125 240.049 -245.617 PRESSAVG: 3976800 42.233 -11.325 -6.78087 -11.325 -25.7037 -22.1645 -6.78085 -22.1645 -5.43578 GPRESSAVG: 3976800 41.741 -10.6079 -6.59685 -10.791 -25.3469 -24.839 -9.42615 -23.0459 -4.95275 TIMING: 3976800 CPU: 12890.1, 0.00312309/step Wall: 12890.1, 0.00312309/step, 0.887651 hours remaining, 236.285156 MB of memory in use. ENERGY: 3976800 4029.7795 20584.5101 14499.5004 257.3444 -203441.1689 2377.0936 0.0000 0.0000 52308.1069 -109384.8339 300.6154 -161692.9408 -109031.1900 299.5894 -220.6111 -187.4845 760529.1965 3.6978 3.8138 PRESSURE: 3977000 -349.105 44.8111 -132.082 44.8116 21.3669 67.8857 -132.083 67.885 -214.204 GPRESSURE: 3977000 -279.997 10.3068 -10.1024 15.7893 50.4876 89.1113 -121.548 70.168 -204.823 PRESSAVG: 3977000 -24.1769 11.2325 -55.1205 11.2325 7.46378 2.38832 -55.1205 2.3883 8.79411 GPRESSAVG: 3977000 -24.1499 9.70808 -55.8217 12.0897 8.33648 2.98155 -50.5888 2.46951 8.49243 TIMING: 3977000 CPU: 12890.7, 0.00312334/step Wall: 12890.7, 0.00312334/step, 0.88755 hours remaining, 236.285156 MB of memory in use. ENERGY: 3977000 4017.0825 20593.4200 14414.0297 257.9636 -203417.8637 2554.8469 0.0000 0.0000 52102.6265 -109477.8945 299.4345 -161580.5210 -109113.4846 299.1852 -180.6474 -144.7773 760932.7757 -2.6397 -2.4403 PRESSURE: 3977200 -249.085 -109.511 -0.865228 -109.511 181.754 -87.8968 -0.865313 -87.8969 -127.906 GPRESSURE: 3977200 -120.634 -39.1717 46.3496 -125.446 112.71 -110.98 -90.1965 -69.2675 -106.552 PRESSAVG: 3977200 -0.441072 -61.9648 21.5043 -61.9648 -20.0786 63.3612 21.5042 63.3613 12.3066 GPRESSAVG: 3977200 0.752837 -62.4231 22.816 -62.984 -20.8304 65.1005 19.4746 61.8847 11.7783 TIMING: 3977200 CPU: 12891.3, 0.00311801/step Wall: 12891.3, 0.00311801/step, 0.885861 hours remaining, 236.285156 MB of memory in use. ENERGY: 3977200 3971.3065 20506.1075 14466.1572 258.3001 -203150.4154 2382.6454 0.0000 0.0000 52093.9331 -109471.9656 299.3845 -161565.8987 -109111.2828 299.2391 -65.0789 -38.1587 762249.8213 -2.7377 -2.7664 PRESSURE: 3977400 -14.4719 -74.2496 169.644 -74.2489 -340.263 -75.1974 169.643 -75.1963 116.141 GPRESSURE: 3977400 54.7007 -69.9292 138.02 -146.608 -293.366 -102.474 177.008 -48.0167 93.2784 PRESSAVG: 3977400 41.0635 -63.493 59.2941 -63.493 -2.24588 0.626398 59.2941 0.626352 -5.77995 GPRESSAVG: 3977400 40.0876 -62.6179 57.8972 -64.0072 -2.56066 1.23717 59.1061 1.12219 -5.05658 TIMING: 3977400 CPU: 12892, 0.0031229/step Wall: 12892, 0.0031229/step, 0.887077 hours remaining, 236.285156 MB of memory in use. ENERGY: 3977400 4015.9750 20586.9976 14432.7828 241.6801 -203028.5631 2413.1251 0.0000 0.0000 51835.3074 -109502.6952 297.8982 -161338.0025 -109139.1222 299.0434 -79.5312 -48.4622 761569.2535 11.0126 10.8235 PRESSURE: 3977600 132.148 47.1189 113.844 47.118 -242.633 106.534 113.844 106.533 -125.094 GPRESSURE: 3977600 131.812 -118.602 10.8221 -2.96452 -114.355 182.034 136.007 -57.3711 -163.985 PRESSAVG: 3977600 -7.69304 -5.11435 3.741 -5.1144 9.14092 7.05051 3.74096 7.0505 26.2489 GPRESSAVG: 3977600 -6.99149 -6.99035 3.95062 -4.69402 9.36226 5.74756 4.90194 7.51449 25.7114 TIMING: 3977600 CPU: 12892.6, 0.00312029/step Wall: 12892.6, 0.00312029/step, 0.886162 hours remaining, 236.285156 MB of memory in use. ENERGY: 3977600 3983.9215 20474.6554 14488.1834 256.2783 -203211.5932 2474.0097 0.0000 0.0000 52186.4872 -109348.0577 299.9165 -161534.5449 -108986.8945 299.2567 -78.5261 -48.8427 761130.8554 9.2323 9.3607 PRESSURE: 3977800 -327.713 -161.361 12.501 -161.361 -337.375 -164.381 12.5012 -164.38 -352.865 GPRESSURE: 3977800 -398.535 -213.499 -6.06718 -54.7685 -249.81 -146.187 90.2021 -155.646 -291.158 PRESSAVG: 3977800 23.9744 -5.58164 -6.12556 -5.58159 -54.9072 -31.0662 -6.1256 -31.0662 -15.642 GPRESSAVG: 3977800 23.0192 -4.85946 -4.57509 -3.74925 -53.5506 -32.6895 -8.43561 -31.5523 -15.8332 TIMING: 3977800 CPU: 12893.2, 0.00311167/step Wall: 12893.2, 0.00311167/step, 0.88354 hours remaining, 236.285156 MB of memory in use. ENERGY: 3977800 3960.4073 20372.8057 14432.6791 246.3578 -203009.4171 2258.5181 0.0000 0.0000 52465.7569 -109272.8922 301.5214 -161738.6492 -108909.1646 299.6057 -339.3176 -313.1677 761917.5687 -15.5249 -15.4549 PRESSURE: 3978000 324.593 -11.7263 -41.0422 -11.7264 348.168 -60.4467 -41.0426 -60.446 93.6545 GPRESSURE: 3978000 374.418 -8.39668 50.1069 -17.7214 403.089 -150.638 16.5298 -111.503 77.1208 PRESSAVG: 3978000 51.9452 -47.7804 -49.4544 -47.7803 -44.5096 -45.8764 -49.4544 -45.8764 -17.6699 GPRESSAVG: 3978000 51.9212 -46.973 -49.8784 -49.6824 -45.6863 -44.0106 -49.5992 -46.4246 -16.8097 TIMING: 3978000 CPU: 12893.8, 0.00310162/step Wall: 12893.8, 0.00310162/step, 0.880516 hours remaining, 236.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3978000 3947.6015 20440.6433 14484.8022 237.6821 -203248.7767 2475.8544 0.0000 0.0000 52282.7358 -109379.4575 300.4696 -161662.1932 -109003.8293 299.8949 255.4718 284.8760 758240.2235 -3.4115 -3.5249 PRESSURE: 3978200 -119.316 164.346 104.159 164.345 -45.2756 -35.5287 104.16 -35.5284 196.383 GPRESSURE: 3978200 -74.0679 150.486 212.812 145.862 67.4649 14.0177 -60.2661 -64.7372 109.651 PRESSAVG: 3978200 -61.9846 -34.8914 -36.04 -34.8914 54.657 21.1427 -36.04 21.1427 3.5633 GPRESSAVG: 3978200 -61.7969 -35.0277 -37.275 -34.6897 55.2974 20.1554 -35.0539 24.7292 2.55305 TIMING: 3978200 CPU: 12894.4, 0.00310467/step Wall: 12894.4, 0.00310467/step, 0.881207 hours remaining, 236.285156 MB of memory in use. ENERGY: 3978200 3956.5641 20686.1603 14442.8929 253.2596 -202822.9007 2106.3631 0.0000 0.0000 52056.0412 -109321.6195 299.1668 -161377.6607 -108950.0060 299.4810 10.5973 34.3493 760832.0307 -1.2548 -1.3155 PRESSURE: 3978400 130.052 -41.2008 -112.196 -41.2008 -110.675 -4.79964 -112.196 -4.79868 35.7382 GPRESSURE: 3978400 148.009 34.7268 -189.814 -127.525 -125.648 31.2295 -27.334 90.7612 112.151 PRESSAVG: 3978400 -21.3013 -5.81347 18.5629 -5.81342 58.394 -12.6391 18.563 -12.6391 -4.56244 GPRESSAVG: 3978400 -21.1213 -4.81651 19.2516 -6.09062 58.3192 -12.7809 17.3954 -15.1704 -5.19221 TIMING: 3978400 CPU: 12895.1, 0.00311801/step Wall: 12895.1, 0.00311801/step, 0.884823 hours remaining, 236.285156 MB of memory in use. ENERGY: 3978400 3989.1697 20540.4695 14502.9953 269.9661 -202869.0049 2352.8077 0.0000 0.0000 52025.4243 -109188.1723 298.9908 -161213.5967 -108825.4462 299.3072 18.3716 44.8373 761645.2622 10.8434 10.6686 PRESSURE: 3978600 90.9862 -113.081 142.613 -113.081 281.463 375.99 142.613 375.99 -95.8775 GPRESSURE: 3978600 66.7485 -181.547 183.792 -48.6871 300.87 308.53 153.279 267.524 -5.5385 PRESSAVG: 3978600 -9.42454 -48.3133 8.01363 -48.3133 -51.7761 28.0783 8.01354 28.0783 7.39863 GPRESSAVG: 3978600 -10.0209 -49.7187 7.37164 -46.889 -51.279 29.1612 9.32594 27.0801 7.83729 TIMING: 3978600 CPU: 12895.7, 0.00311929/step Wall: 12895.7, 0.00311929/step, 0.885012 hours remaining, 236.285156 MB of memory in use. ENERGY: 3978600 3953.7880 20687.9681 14405.7698 244.7568 -203098.5737 2667.2422 0.0000 0.0000 51895.6278 -109243.4211 298.2449 -161139.0489 -108885.3232 299.4773 92.1905 120.6932 759803.3860 -17.9340 -17.8209 PRESSURE: 3978800 -443.857 -9.60397 -43.1413 -9.60423 -174.24 258.628 -43.1415 258.627 -110.209 GPRESSURE: 3978800 -372.331 98.8318 -25.1978 59.4282 -85.9355 325.633 75.7573 264.144 -182.079 PRESSAVG: 3978800 68.4236 -19.7239 -37.6714 -19.7239 -39.1983 -21.8407 -37.6713 -21.8407 0.893058 GPRESSAVG: 3978800 67.5505 -18.7541 -37.1572 -21.3438 -39.0703 -20.7708 -40.5622 -20.0666 2.02979 TIMING: 3978800 CPU: 12896.3, 0.00313341/step Wall: 12896.3, 0.00313341/step, 0.888845 hours remaining, 236.285156 MB of memory in use. ENERGY: 3978800 3946.4022 20622.5613 14418.5644 247.5979 -202883.4947 2301.4625 0.0000 0.0000 52250.8892 -109096.0173 300.2866 -161346.9064 -108749.0215 300.5988 -242.7684 -213.4486 760850.0249 10.0394 10.1700 PRESSURE: 3979000 262.955 -80.0019 -158.554 -80.0018 120.911 -98.9288 -158.553 -98.9298 -386.338 GPRESSURE: 3979000 276.154 -82.6041 -235.233 -32.5396 150.664 -91.4326 -91.0466 5.79771 -326.794 PRESSAVG: 3979000 63.3632 3.64301 -43.7534 3.64302 -18.0265 14.3601 -43.7534 14.36 15.3412 GPRESSAVG: 3979000 63.8652 2.86675 -43.3843 4.73228 -18.7233 11.9036 -42.0774 14.3095 15.0298 TIMING: 3979000 CPU: 12896.9, 0.00312788/step Wall: 12896.9, 0.00312788/step, 0.887102 hours remaining, 236.285156 MB of memory in use. ENERGY: 3979000 4012.3823 20464.1129 14472.6715 228.0665 -202823.7113 2369.9040 0.0000 0.0000 52174.1242 -109102.4499 299.8454 -161276.5741 -108737.9333 300.0834 -0.8238 33.3413 760075.2270 20.2260 20.0572 PRESSURE: 3979200 -66.5082 -6.12355 132.534 -6.12347 -292.429 -249.287 132.535 -249.287 236.78 GPRESSURE: 3979200 -80.4192 37.9731 18.7511 32.5887 -143.82 -252.018 71.1485 -58.5391 208.955 PRESSAVG: 3979200 56.5259 -19.4474 -27.8445 -19.4475 -15.4069 24.1862 -27.8445 24.1863 -6.59885 GPRESSAVG: 3979200 56.4365 -19.7299 -28.4164 -18.396 -14.1399 25.1064 -26.796 22.6552 -7.38755 TIMING: 3979200 CPU: 12897.6, 0.00312406/step Wall: 12897.6, 0.00312406/step, 0.885844 hours remaining, 236.285156 MB of memory in use. ENERGY: 3979200 4055.4069 20627.8609 14586.4292 262.3129 -202874.6144 2379.5318 0.0000 0.0000 52163.7225 -108799.3504 299.7856 -160963.0728 -108443.7482 300.1865 -40.7191 -5.0949 760912.9228 11.5067 11.6364 PRESSURE: 3979400 -150.213 120.232 95.5013 120.232 193.754 -27.1597 95.5012 -27.1596 64.7927 GPRESSURE: 3979400 -76.6611 25.385 74.1215 154.801 207.302 -135.347 35.4799 103.161 42.2837 PRESSAVG: 3979400 13.2033 67.1034 -40.7386 67.1035 -2.33957 -34.9435 -40.7385 -34.9434 3.1508 GPRESSAVG: 3979400 14.0672 68.6839 -41.5974 65.9001 -3.06026 -35.809 -41.8723 -33.3032 2.80942 TIMING: 3979400 CPU: 12898.2, 0.00311878/step Wall: 12898.2, 0.00311878/step, 0.884173 hours remaining, 236.285156 MB of memory in use. ENERGY: 3979400 4088.5134 20703.5892 14513.1423 262.1158 -202920.5868 2362.0110 0.0000 0.0000 52222.4106 -108768.8046 300.1229 -160991.2151 -108406.5118 300.3198 36.1115 57.6415 760778.2707 4.6715 4.6055 PRESSURE: 3979600 -82.4476 151.189 -41.7598 151.189 161.676 76.4354 -41.7602 76.4344 97.129 GPRESSURE: 3979600 -106.008 126.49 -66.0405 16.8876 265.97 97.6897 -48.7772 143.601 102.932 PRESSAVG: 3979600 56.4511 16.6147 -57.8888 16.6147 -25.7835 29.3721 -57.8888 29.372 4.25586 GPRESSAVG: 3979600 56.531 14.5691 -57.2127 15.6282 -25.7241 29.9642 -58.0814 30.6881 4.1233 TIMING: 3979600 CPU: 12898.8, 0.00310733/step Wall: 12898.8, 0.00310733/step, 0.880756 hours remaining, 236.285156 MB of memory in use. ENERGY: 3979600 3982.3635 20563.4476 14465.0072 239.7880 -203131.0267 2605.2741 0.0000 0.0000 52164.1660 -109110.9804 299.7882 -161275.1464 -108746.2657 300.0965 58.7858 87.6313 762555.5633 11.6412 11.6434 PRESSURE: 3979800 204.312 13.8929 47.6577 13.892 59.7119 -45.3526 47.6581 -45.3532 -75.5657 GPRESSURE: 3979800 217.988 45.3495 70.3246 65.5621 105.832 -99.8909 94.8647 -130.504 -43.8318 PRESSAVG: 3979800 49.3493 -9.19154 -16.7978 -9.19157 -47.7901 -26.7691 -16.7978 -26.769 -7.50957 GPRESSAVG: 3979800 47.2405 -7.15322 -16.9113 -8.74099 -45.641 -26.6306 -16.5384 -29.2774 -6.9251 TIMING: 3979800 CPU: 12899.4, 0.00311604/step Wall: 12899.4, 0.00311604/step, 0.88305 hours remaining, 236.285156 MB of memory in use. ENERGY: 3979800 3937.4372 20524.2068 14441.1534 262.3221 -203347.2662 2670.9546 0.0000 0.0000 52087.8873 -109423.3047 299.3498 -161511.1921 -109055.0764 299.1840 62.8193 93.3292 762351.8978 -1.9835 -1.7752 PRESSURE: 3980000 266.715 16.3886 -276.974 16.3884 -69.8558 -126.741 -276.974 -126.741 51.6403 GPRESSURE: 3980000 286.316 -14.1304 -250.926 -28.4231 -20.768 -171.405 -139.478 -266.928 50.3766 PRESSAVG: 3980000 21.5783 -11.2375 38.1731 -11.2375 -2.65047 -37.1927 38.1731 -37.1926 -6.4682 GPRESSAVG: 3980000 24.1523 -14.9948 38.9798 -8.98924 -4.39753 -37.8884 38.9943 -35.7357 -6.59688 TIMING: 3980000 CPU: 12900.1, 0.00311513/step Wall: 12900.1, 0.00311513/step, 0.882621 hours remaining, 236.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3980000 3968.3883 20456.9747 14460.0114 232.6604 -203327.7658 2764.1901 0.0000 0.0000 51902.8508 -109542.6900 298.2864 -161445.5409 -109183.1772 298.5947 82.8333 105.3081 762242.0139 4.1532 4.3860 PRESSURE: 3980200 89.3605 -60.1915 -33.1652 -60.191 -326.889 -117.408 -33.1655 -117.408 28.545 GPRESSURE: 3980200 100.813 46.7119 -80.7167 -93.9296 -253.648 -98.4129 61.2556 -40.6162 30.7826 PRESSAVG: 3980200 -3.35523 -44.2427 1.7973 -44.2427 -3.07235 -16.3258 1.79729 -16.3258 6.56744 GPRESSAVG: 3980200 -4.28921 -41.3783 2.38445 -46.9279 -2.82638 -15.4903 2.06582 -16.802 7.13592 TIMING: 3980200 CPU: 12900.7, 0.00312062/step Wall: 12900.7, 0.00312062/step, 0.884002 hours remaining, 236.285156 MB of memory in use. ENERGY: 3980200 4084.8916 20752.7383 14407.2157 217.0337 -202894.9836 2370.0084 0.0000 0.0000 51672.3299 -109390.7661 296.9616 -161063.0960 -109043.5134 298.9783 -69.6611 -40.6841 761739.6717 0.0466 0.0068 LDB: ============= START OF LOAD BALANCING ============== 12913.1 LDB: ============== END OF LOAD BALANCING =============== 12913.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12913.1 LDB: ============= START OF LOAD BALANCING ============== 12913.4 LDB: Largest compute 7068 load 0.033254 is 17.0% of average load 0.195547 LDB: Average compute 0.004416 is 2.3% of average load 0.195547 LDB: TIME 12913.4 LOAD: AVG 0.195547 MAX 0.216804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.734 MB LDB: TIME 12913.4 LOAD: AVG 0.195547 MAX 0.216804 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.734 MB LDB: TIME 12913.4 LOAD: AVG 0.195547 MAX 0.216804 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.734 MB LDB: ============== END OF LOAD BALANCING =============== 12913.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12913.4 PRESSURE: 3980400 145.796 155.087 245.829 155.087 157.703 -149.025 245.83 -149.025 -119.063 GPRESSURE: 3980400 169.169 154.121 277.222 127.614 190.518 -87.8788 108.803 -134.616 -111.687 PRESSAVG: 3980400 19.0697 0.516749 33.2112 0.516736 -15.3898 -41.4531 33.2112 -41.453 -14.9188 GPRESSAVG: 3980400 19.6238 -0.691083 31.975 2.29409 -14.1964 -43.1391 32.2894 -41.1314 -16.1382 TIMING: 3980400 CPU: 12901.3, 0.00319951/step Wall: 12901.3, 0.00319951/step, 0.906173 hours remaining, 236.734375 MB of memory in use. ENERGY: 3980400 3975.8563 20619.6822 14512.9155 255.1538 -203122.6238 2372.9152 0.0000 0.0000 51912.5073 -109473.5935 298.3419 -161386.1007 -109117.9904 298.9086 61.4785 82.6663 761587.5387 -3.7463 -3.5703 PRESSURE: 3980600 192.628 -123.753 -12.0766 -123.753 38.5262 -26.7776 -12.0762 -26.7778 -226.996 GPRESSURE: 3980600 312.464 -69.9009 31.8874 -83.5592 -69.087 -56.835 -45.9338 -22.9976 -146.769 PRESSAVG: 3980600 11.7008 -24.8965 -9.83663 -24.8965 -10.0113 -30.6793 -9.83666 -30.6793 10.2749 GPRESSAVG: 3980600 10.2966 -23.5083 -8.37023 -26.4569 -10.0411 -29.9685 -10.8105 -29.4587 11.7903 TIMING: 3980600 CPU: 12902, 0.00312364/step Wall: 12902, 0.00312364/step, 0.884512 hours remaining, 236.933594 MB of memory in use. ENERGY: 3980600 3933.4837 20737.1614 14410.6583 247.6337 -203651.8849 2740.5814 0.0000 0.0000 52160.6622 -109421.7041 299.7680 -161582.3664 -109069.3381 299.1658 1.3860 32.2026 761047.8031 3.9881 4.0152 PRESSURE: 3980800 64.0705 289.729 -107.679 289.728 -413.389 -75.5168 -107.679 -75.5156 -460.497 GPRESSURE: 3980800 68.9576 177.085 -129.871 226.741 -421.913 -43.1215 26.7367 -98.5207 -373.994 PRESSAVG: 3980800 -16.3928 -3.86947 -36.2603 -3.86945 12.1956 -9.30566 -36.2604 -9.30567 -4.62128 GPRESSAVG: 3980800 -16.2247 -4.86094 -36.176 -4.14845 13.2347 -9.33006 -37.1359 -10.5015 -6.3317 TIMING: 3980800 CPU: 12902.6, 0.00313139/step Wall: 12902.6, 0.00313139/step, 0.88653 hours remaining, 236.933594 MB of memory in use. ENERGY: 3980800 4006.5277 20469.6302 14440.4506 244.2764 -203613.2968 2768.1515 0.0000 0.0000 52133.6405 -109550.6199 299.6127 -161684.2604 -109190.5024 299.2960 -269.9388 -242.3166 763200.6749 -2.9395 -3.1073 PRESSURE: 3981000 117.658 -140.311 -62.8982 -140.311 -345.477 -141.221 -62.8976 -141.221 0.809614 GPRESSURE: 3981000 94.3343 -243.394 -18.2227 -158.506 -306.397 -88.4281 -18.3878 -100.763 84.0818 PRESSAVG: 3981000 5.23674 -48.4243 -32.2934 -48.4243 28.8112 -14.9331 -32.2934 -14.933 -17.2124 GPRESSAVG: 3981000 5.8443 -49.5572 -34.3677 -46.1431 27.2843 -15.2827 -31.2165 -13.7436 -15.6958 TIMING: 3981000 CPU: 12903.2, 0.00311156/step Wall: 12903.2, 0.00311156/step, 0.880745 hours remaining, 237.386719 MB of memory in use. ENERGY: 3981000 4011.7588 20488.5092 14436.6796 244.2078 -203172.2263 2548.3922 0.0000 0.0000 51935.3747 -109507.3039 298.4733 -161442.6786 -109140.1607 298.5880 -75.6700 -42.6604 761679.0438 5.6119 5.8109 PRESSURE: 3981200 13.4412 22.1118 -114.816 22.1116 -154.36 187.489 -114.817 187.489 -237.92 GPRESSURE: 3981200 37.894 -5.90987 -120.053 26.6367 -42.5714 156.234 -95.6079 253.451 -275.329 PRESSAVG: 3981200 9.71772 -0.621249 -14.1553 -0.621203 13.805 14.6973 -14.1553 14.6972 -5.33146 GPRESSAVG: 3981200 10.8631 1.36308 -13.4529 -2.34877 13.0381 16.532 -13.6155 14.4208 -5.59321 TIMING: 3981200 CPU: 12903.8, 0.0031103/step Wall: 12903.8, 0.0031103/step, 0.880216 hours remaining, 237.394531 MB of memory in use. ENERGY: 3981200 4092.0116 20375.2710 14400.0718 241.5255 -202877.9381 2348.9513 0.0000 0.0000 52086.9406 -109333.1663 299.3444 -161420.1069 -108979.5215 299.5029 -126.2796 -93.3355 762465.9541 6.0638 6.1027 PRESSURE: 3981400 -505.56 103.922 -228.214 103.922 -105.053 177.933 -228.214 177.933 -193.879 GPRESSURE: 3981400 -452.69 56.4634 -174.774 -21.7189 -88.3493 164.419 -196.238 167.531 -181.104 PRESSAVG: 3981400 21.6231 30.7513 -0.0753707 30.7513 3.41143 -0.181185 -0.0753387 -0.181253 -0.748023 GPRESSAVG: 3981400 20.1799 28.0274 -0.530523 32.8693 4.89715 -0.999991 2.19097 -1.19896 -0.801425 TIMING: 3981400 CPU: 12904.4, 0.00312628/step Wall: 12904.4, 0.00312628/step, 0.884564 hours remaining, 237.394531 MB of memory in use. ENERGY: 3981400 4047.5804 20523.2639 14492.4599 251.3341 -202946.2847 2370.4344 0.0000 0.0000 51918.5091 -109342.7028 298.3764 -161261.2119 -108993.1051 299.1923 -268.1642 -240.7144 762297.3392 8.0955 8.0919 PRESSURE: 3981600 -15.6933 149.792 71.2158 149.792 25.1006 -15.9259 71.2155 -15.9262 146.693 GPRESSURE: 3981600 78.044 135.706 159.44 250.832 36.4333 -151.534 -105.066 37.6125 115.272 PRESSAVG: 3981600 -3.21589 -43.7866 0.060867 -43.7866 29.0942 -33.0452 0.0608045 -33.0452 -8.24537 GPRESSAVG: 3981600 -1.9755 -42.1313 0.917387 -45.1718 28.1983 -34.5371 -2.36142 -32.8203 -8.86879 TIMING: 3981600 CPU: 12905.1, 0.00311978/step Wall: 12905.1, 0.00311978/step, 0.882552 hours remaining, 237.410156 MB of memory in use. ENERGY: 3981600 3942.0441 20432.2389 14393.4374 243.6414 -203186.6972 2552.4741 0.0000 0.0000 52173.9429 -109448.9183 299.8444 -161622.8612 -109088.5310 299.4974 52.0334 76.5832 761587.6817 5.8777 5.7847 PRESSURE: 3981800 -100.192 0.0696278 -4.68809 0.0699849 -71.0307 23.1349 -4.68821 23.1349 29.0035 GPRESSURE: 3981800 -44.7961 118.78 -56.51 -28.7086 -56.6969 15.4727 -1.41071 -44.5197 50.0423 PRESSAVG: 3981800 -38.41 -23.7562 -30.1985 -23.7561 -2.82615 4.14066 -30.1985 4.14076 6.73893 GPRESSAVG: 3981800 -37.9239 -24.1294 -30.1146 -24.2459 -2.33024 5.45966 -30.2119 4.84724 5.85912 TIMING: 3981800 CPU: 12905.7, 0.00312929/step Wall: 12905.7, 0.00312929/step, 0.885069 hours remaining, 237.410156 MB of memory in use. ENERGY: 3981800 3888.9130 20758.0228 14353.5624 223.8463 -203198.0274 2530.7885 0.0000 0.0000 52033.3299 -109409.5645 299.0363 -161442.8944 -109050.6674 299.2242 -47.4062 -17.1502 760655.5368 -11.4991 -11.4650 PRESSURE: 3982000 115.501 26.3867 -151.277 26.3863 -80.6973 -122.074 -151.278 -122.075 179.245 GPRESSURE: 3982000 190.92 -79.439 -220.051 -22.3399 -73.5183 -41.742 -323.013 -167.172 178.042 PRESSAVG: 3982000 -16.4947 -5.69384 -35.2397 -5.69378 21.689 -34.4117 -35.2397 -34.4117 -11.2565 GPRESSAVG: 3982000 -17.061 -6.4372 -35.081 -3.19938 21.2402 -35.6509 -35.4154 -33.749 -10.372 TIMING: 3982000 CPU: 12906.3, 0.0031176/step Wall: 12906.3, 0.0031176/step, 0.881588 hours remaining, 237.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3982000 4006.6207 20408.2674 14438.4661 237.6334 -203340.0974 2673.2607 0.0000 0.0000 52312.1948 -109263.6543 300.6389 -161575.8492 -108894.4976 299.3601 71.3496 98.4809 761450.1095 -2.0208 -2.0643 PRESSURE: 3982200 2.26036 111.795 -240.908 111.795 -81.0119 194.168 -240.908 194.169 221.543 GPRESSURE: 3982200 -27.9722 52.8395 -249.043 186.737 54.5675 207.175 -188.941 233.127 211.16 PRESSAVG: 3982200 73.3627 -50.5983 -55.8295 -50.5984 -36.7898 -0.471114 -55.8295 -0.471145 6.41601 GPRESSAVG: 3982200 72.4596 -50.0614 -56.5053 -53.4256 -35.8802 2.58822 -54.8414 -1.87045 7.01945 TIMING: 3982200 CPU: 12906.9, 0.00312822/step Wall: 12906.9, 0.00312822/step, 0.884417 hours remaining, 237.410156 MB of memory in use. ENERGY: 3982200 3939.8942 20665.3440 14443.2052 255.2918 -203123.9473 2470.2102 0.0000 0.0000 52271.6266 -109078.3755 300.4058 -161350.0020 -108732.6200 300.4973 47.5971 79.2519 761498.5311 14.3296 14.5330 PRESSURE: 3982400 -309.637 -246.551 164.527 -246.551 -210.189 -3.43362 164.527 -3.4342 62.2602 GPRESSURE: 3982400 -251.684 -189.58 186.864 -175.035 -196.216 -83.6213 260.837 57.315 68.9315 PRESSAVG: 3982400 -33.0417 -10.7635 -1.14208 -10.7635 15.5639 -3.96237 -1.14206 -3.96238 -5.91983 GPRESSAVG: 3982400 -32.4783 -9.44243 -0.902912 -9.49707 14.7538 -5.73927 -2.40204 -2.98288 -5.95979 TIMING: 3982400 CPU: 12907.6, 0.00312103/step Wall: 12907.6, 0.00312103/step, 0.882211 hours remaining, 237.410156 MB of memory in use. ENERGY: 3982400 3900.1661 20681.7218 14486.1252 263.2658 -203380.9828 2465.1061 0.0000 0.0000 52401.5295 -109183.0683 301.1523 -161584.5979 -108809.3150 299.8392 -152.5220 -126.3230 761894.1250 -7.7992 -7.8948 PRESSURE: 3982600 -159.76 52.4309 -229.232 52.4299 -380.239 -226.851 -229.232 -226.85 10.7295 GPRESSURE: 3982600 -22.5951 175.127 -239.127 -46.2854 -404.705 -272.583 -247.711 -251.178 -14.5967 PRESSAVG: 3982600 -16.6888 -12.5193 0.58521 -12.5194 -9.02322 54.6795 0.585279 54.6796 1.8081 GPRESSAVG: 3982600 -17.0356 -13.3243 1.39717 -11.6223 -7.98676 55.1334 1.262 51.8509 1.26921 TIMING: 3982600 CPU: 12908.2, 0.00313705/step Wall: 12908.2, 0.00313705/step, 0.886565 hours remaining, 237.410156 MB of memory in use. ENERGY: 3982600 4021.1650 20850.1419 14448.3611 255.3143 -203095.4129 2371.6571 0.0000 0.0000 52149.7750 -108998.9985 299.7055 -161148.7735 -108644.2207 299.9844 -176.4235 -147.2990 760842.3721 -7.9680 -7.9177 PRESSURE: 3982800 -97.7642 -6.80653 34.6168 -6.80523 118.467 -108.538 34.6168 -108.538 -182.706 GPRESSURE: 3982800 -45.9332 -19.7218 22.6224 15.9219 149.797 -99.4979 19.1689 -194.785 -169.565 PRESSAVG: 3982800 17.1971 -19.433 -12.1798 -19.433 23.9402 -14.4568 -12.1798 -14.4568 15.799 GPRESSAVG: 3982800 17.2042 -17.8362 -14.2485 -21.5912 23.1999 -13.699 -11.9506 -13.7805 16.3166 TIMING: 3982800 CPU: 12908.8, 0.00315822/step Wall: 12908.8, 0.00315822/step, 0.892373 hours remaining, 237.410156 MB of memory in use. ENERGY: 3982800 4024.0507 20676.1104 14465.0719 235.2150 -203375.7453 2857.1468 0.0000 0.0000 52105.1977 -109012.9528 299.4493 -161118.1505 -108656.4073 299.9755 -54.0010 -21.9003 761884.7412 18.9787 18.9069 PRESSURE: 3983000 -33.3441 134.039 -90.048 134.041 -544.608 -77.6739 -90.0478 -77.6735 158.885 GPRESSURE: 3983000 15.1859 97.595 -118.458 62.5434 -484.889 -29.7441 -88.4841 -50.0606 143.482 PRESSAVG: 3983000 -14.8742 16.2951 -26.6517 16.2951 -26.173 -18.5198 -26.6516 -18.5199 2.84478 GPRESSAVG: 3983000 -14.8206 14.469 -26.1116 18.5826 -25.8024 -20.776 -27.125 -17.1492 2.49603 TIMING: 3983000 CPU: 12909.5, 0.00315042/step Wall: 12909.5, 0.00315042/step, 0.889993 hours remaining, 237.410156 MB of memory in use. ENERGY: 3983000 4018.9277 20606.0841 14437.9686 227.5748 -202824.2261 2317.5834 0.0000 0.0000 52010.6794 -109205.4081 298.9061 -161216.0875 -108839.0000 300.3444 -139.6892 -108.7403 761255.1151 -12.7341 -12.7090 PRESSURE: 3983200 -17.5392 -2.27858 -278.443 -2.27857 -138.15 127.228 -278.445 127.227 -423.919 GPRESSURE: 3983200 75.8691 -57.3945 -261.049 -111.784 -120.636 78.5071 -225.791 79.2087 -449.278 PRESSAVG: 3983200 -8.6373 4.95284 9.89848 4.95288 -19.7711 -11.6083 9.89846 -11.6083 21.7303 GPRESSAVG: 3983200 -7.8677 5.0317 10.8004 4.4522 -21.1163 -10.6893 10.1987 -12.4936 22.1301 TIMING: 3983200 CPU: 12910.1, 0.00314862/step Wall: 12910.1, 0.00314862/step, 0.889309 hours remaining, 237.410156 MB of memory in use. ENERGY: 3983200 4013.7459 20782.1268 14511.6785 239.8197 -203206.4124 2460.2383 0.0000 0.0000 52128.9866 -109069.8167 299.5860 -161198.8033 -108718.9278 300.1190 -193.2026 -164.6814 759510.7738 -2.2261 -2.2847 PRESSURE: 3983400 21.7632 -162.573 -141.772 -162.573 149.134 116.154 -141.771 116.154 25.0478 GPRESSURE: 3983400 52.3415 -75.9328 -175.726 -201.282 257.855 17.4472 -32.1517 128.142 -9.75107 PRESSAVG: 3983400 26.0576 -25.0712 -24.482 -25.0711 -18.0638 4.27999 -24.4821 4.28 -7.02868 GPRESSAVG: 3983400 25.6286 -24.6938 -23.4976 -24.1997 -16.0429 2.56099 -22.2661 5.71998 -7.96609 TIMING: 3983400 CPU: 12910.7, 0.00313105/step Wall: 12910.7, 0.00313105/step, 0.884175 hours remaining, 237.398438 MB of memory in use. ENERGY: 3983400 4052.1109 20568.0087 14452.7808 251.5717 -203699.0219 2691.5699 0.0000 0.0000 52358.2685 -109324.7115 300.9037 -161682.9800 -108949.0336 300.2230 65.3151 100.1486 758600.6145 0.3217 0.5399 PRESSURE: 3983600 -186.988 -202.652 -22.16 -202.652 242.892 36.7464 -22.1609 36.7459 -60.8462 GPRESSURE: 3983600 -166.847 -96.7718 49.6763 -151.539 263.72 39.4795 -102.669 -48.8142 -22.8525 PRESSAVG: 3983600 -22.3803 -84.0456 -42.8944 -84.0456 -13.1035 6.48081 -42.8945 6.48076 6.57901 GPRESSAVG: 3983600 -21.3056 -83.56 -45.0733 -84.5913 -14.3645 8.51746 -44.4971 5.68573 6.36368 TIMING: 3983600 CPU: 12911.3, 0.0031426/step Wall: 12911.3, 0.0031426/step, 0.887261 hours remaining, 237.398438 MB of memory in use. ENERGY: 3983600 4041.3051 20627.9297 14426.6705 261.5950 -203694.3226 2741.2827 0.0000 0.0000 52211.1272 -109384.4124 300.0581 -161595.5396 -109022.9476 299.4501 -1.6474 24.6733 759887.6972 -9.6349 -9.7688 PRESSURE: 3983800 -60.3315 102.636 153.879 102.635 59.7065 423.428 153.88 423.428 -19.3767 GPRESSURE: 3983800 -24.5808 90.3556 224.733 -42.021 90.2166 374.865 43.0003 378.868 8.91647 PRESSAVG: 3983800 9.76874 3.05915 26.9559 3.05919 34.0648 -1.88013 26.956 -1.88008 5.96731 GPRESSAVG: 3983800 7.33542 2.41164 27.1268 2.40772 35.602 -2.92598 26.1919 -1.86152 7.32549 TIMING: 3983800 CPU: 12912, 0.00315082/step Wall: 12912, 0.00315082/step, 0.889407 hours remaining, 237.398438 MB of memory in use. ENERGY: 3983800 4031.6762 20599.7348 14413.8048 260.5490 -203584.6584 2841.0050 0.0000 0.0000 51951.8918 -109485.9969 298.5682 -161437.8886 -109121.7329 299.7745 -6.6672 24.8508 760733.4980 16.6003 16.7543 PRESSURE: 3984000 94.3314 -55.5153 -43.4491 -55.5159 -375.131 -68.4805 -43.4497 -68.4801 114.375 GPRESSURE: 3984000 217.717 94.5302 -90.0567 -198.284 -299.215 -33.503 -5.24495 -60.3349 12.2254 PRESSAVG: 3984000 9.33755 2.32857 41.6701 2.3285 -9.94502 18.6721 41.6701 18.6721 0.210438 GPRESSAVG: 3984000 10.6302 2.02908 41.3373 0.523062 -10.6562 19.7772 42.5341 17.7023 -0.159967 TIMING: 3984000 CPU: 12912.6, 0.00315206/step Wall: 12912.6, 0.00315206/step, 0.889582 hours remaining, 237.464844 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: 3984000 4015.6143 20672.3284 14449.3346 248.7046 -203224.3262 2454.4310 0.0000 0.0000 51681.3785 -109702.5349 297.0136 -161383.9134 -109340.0557 298.8512 -55.4749 -23.0910 761787.4983 -0.1323 -0.0620 PRESSURE: 3984200 35.5513 -81.9715 -146.246 -81.972 -21.236 -171.596 -146.245 -171.597 63.7852 GPRESSURE: 3984200 39.4878 -27.6852 -152.267 18.1966 88.9688 -147.801 -42.6875 -218.981 55.1829 PRESSAVG: 3984200 52.2026 -11.997 -49.0211 -11.997 -61.3856 -7.86573 -49.0212 -7.86575 15.1956 GPRESSAVG: 3984200 50.9125 -12.2705 -48.4133 -10.4219 -59.2376 -8.35255 -49.9115 -6.59244 14.8574 TIMING: 3984200 CPU: 12913.2, 0.00316097/step Wall: 12913.2, 0.00316097/step, 0.891921 hours remaining, 237.464844 MB of memory in use. ENERGY: 3984200 4034.5893 20724.9959 14374.4769 231.4087 -203360.0619 2314.3038 0.0000 0.0000 51965.3920 -109714.8953 298.6458 -161680.2873 -109357.7063 298.7402 26.0335 61.2132 761085.6328 2.0042 2.1774 LDB: ============= START OF LOAD BALANCING ============== 12925.7 LDB: ============== END OF LOAD BALANCING =============== 12925.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12925.7 LDB: ============= START OF LOAD BALANCING ============== 12926 LDB: Largest compute 7078 load 0.035925 is 18.4% of average load 0.195693 LDB: Average compute 0.004386 is 2.2% of average load 0.195693 LDB: TIME 12926 LOAD: AVG 0.195693 MAX 0.224074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.48 MB LDB: TIME 12926 LOAD: AVG 0.195693 MAX 0.224074 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 12926 LOAD: AVG 0.195693 MAX 0.215489 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 12926 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12926 PRESSURE: 3984400 115.14 -212.999 -50.5046 -212.998 -138.214 -50.3104 -50.5043 -50.3108 2.6901 GPRESSURE: 3984400 201.866 -88.3396 -76.5384 -333.306 -161.933 -123.11 121.052 -77.7014 28.4893 PRESSAVG: 3984400 73.3002 -36.6009 13.1102 -36.6009 -59.7481 14.7655 13.1102 14.7654 4.2797 GPRESSAVG: 3984400 74.9377 -35.6866 12.9472 -35.3918 -61.421 14.0656 14.0823 14.5746 4.69963 TIMING: 3984400 CPU: 12913.9, 0.00322797/step Wall: 12913.9, 0.00322797/step, 0.910646 hours remaining, 234.625000 MB of memory in use. ENERGY: 3984400 3946.3728 20753.0939 14490.3234 248.6517 -203709.4157 2558.2770 0.0000 0.0000 52036.5601 -109676.1369 299.0548 -161712.6970 -109314.6346 299.4185 -6.7945 22.8072 759241.0354 5.9439 6.0721 PRESSURE: 3984600 41.9373 32.4264 47.9901 32.4272 -553.023 48.6598 47.9915 48.6604 -170.849 GPRESSURE: 3984600 78.6031 -76.6366 47.3911 -167.636 -518.538 107.152 69.121 97.5851 -145.734 PRESSAVG: 3984600 109.153 -48.5726 51.5746 -48.5726 -69.4369 -25.9097 51.5746 -25.9097 -4.66962 GPRESSAVG: 3984600 109.238 -49.1408 51.719 -51.5211 -69.0024 -25.2357 49.0014 -27.0372 -4.93986 TIMING: 3984600 CPU: 12914.5, 0.00312648/step Wall: 12914.5, 0.00312648/step, 0.88184 hours remaining, 234.625000 MB of memory in use. ENERGY: 3984600 4097.5783 20600.4350 14533.5179 252.0462 -203774.4223 2631.3727 0.0000 0.0000 52066.0738 -109593.3983 299.2244 -161659.4722 -109236.6251 299.1592 -227.3117 -195.2231 761762.6332 11.6820 11.7653 PRESSURE: 3984800 -17.2246 47.0203 -2.61826 47.0193 -185.562 34.7248 -2.619 34.7255 159.458 GPRESSURE: 3984800 51.4446 -9.38524 -21.0116 120.835 -130.099 50.5181 -25.8835 40.0028 144.036 PRESSAVG: 3984800 62.7339 23.0072 37.0607 23.0071 -32.6266 11.2044 37.0607 11.2045 28.2519 GPRESSAVG: 3984800 62.481 19.5602 35.171 27.0302 -32.0997 11.0281 38.6841 12.2184 28.2803 TIMING: 3984800 CPU: 12915.1, 0.00313957/step Wall: 12915.1, 0.00313957/step, 0.88536 hours remaining, 234.625000 MB of memory in use. ENERGY: 3984800 4027.9444 20662.2603 14433.4695 245.7484 -203263.7072 2369.5340 0.0000 0.0000 51765.4939 -109759.2567 297.4970 -161524.7506 -109387.8358 299.2739 -14.4426 21.7939 761553.7320 19.4531 19.5539 PRESSURE: 3985000 53.8147 -119.239 -104.475 -119.239 284.368 -48.5743 -104.475 -48.5741 520.612 GPRESSURE: 3985000 153.935 -61.7415 -114.438 -207.403 307.393 17.1445 4.85351 -79.8608 481.643 PRESSAVG: 3985000 -19.3498 0.949417 -35.0232 0.949434 -5.31249 43.0788 -35.0232 43.0787 -15.3851 GPRESSAVG: 3985000 -18.764 5.06012 -34.3398 -1.17543 -5.78713 41.5922 -34.4956 44.7591 -15.1763 TIMING: 3985000 CPU: 12915.8, 0.00312086/step Wall: 12915.8, 0.00312086/step, 0.87991 hours remaining, 234.625000 MB of memory in use. ENERGY: 3985000 3990.9840 20628.5878 14420.5431 245.6020 -203662.6146 2656.6008 0.0000 0.0000 52066.5566 -109653.7403 299.2272 -161720.2969 -109296.7492 298.2923 286.2651 314.3237 760347.4166 -13.3491 -13.2425 PRESSURE: 3985200 290.34 -175.125 107.149 -175.125 22.1685 179.07 107.149 179.07 101.179 GPRESSURE: 3985200 284.855 -102.383 118.07 -78.8467 120.932 201.17 30.2354 117.416 89.5425 PRESSAVG: 3985200 30.8675 -11.7713 1.05383 -11.7713 12.1717 24.062 1.05377 24.0621 19.5414 GPRESSAVG: 3985200 30.9196 -15.0597 1.61279 -10.1944 11.373 24.737 -0.384276 20.6976 20.3668 TIMING: 3985200 CPU: 12916.4, 0.00313602/step Wall: 12916.4, 0.00313602/step, 0.88401 hours remaining, 234.625000 MB of memory in use. ENERGY: 3985200 3940.7758 20501.7181 14503.4913 251.7335 -203500.8212 2547.7791 0.0000 0.0000 52013.7484 -109741.5750 298.9237 -161755.3235 -109380.7996 298.7349 137.8958 165.1097 761253.8487 20.8602 20.8864 PRESSURE: 3985400 405.492 -35.8598 -146.595 -35.8595 -59.902 -140.67 -146.596 -140.671 114.493 GPRESSURE: 3985400 382.908 24.5689 -231.227 -37.901 21.7716 -78.1926 -150.509 -61.6498 141.519 PRESSAVG: 3985400 -9.89308 -25.3409 1.75949 -25.341 -4.70727 -2.25893 1.75948 -2.25886 1.34597 GPRESSAVG: 3985400 -10.008 -23.7088 1.7439 -26.6566 -4.37629 -1.83421 0.0744898 -0.55135 1.48499 TIMING: 3985400 CPU: 12917, 0.00311501/step Wall: 12917, 0.00311501/step, 0.877914 hours remaining, 234.625000 MB of memory in use. ENERGY: 3985400 3994.1468 20654.6041 14372.9883 238.8739 -203266.9576 2781.4537 0.0000 0.0000 51818.5387 -109406.3520 297.8019 -161224.8908 -109050.4922 298.7667 153.3613 182.0662 761286.0566 -4.4181 -4.2998 PRESSURE: 3985600 -139.175 32.8907 95.1088 32.8906 -299.754 -83.7588 95.1089 -83.7584 -425.459 GPRESSURE: 3985600 -84.7828 103.778 103.023 -49.2802 -271.746 4.86728 138.152 -52.0697 -413.796 PRESSAVG: 3985600 25.1378 -22.3861 -34.9568 -22.3861 3.9826 -43.8571 -34.9568 -43.8572 18.3164 GPRESSAVG: 3985600 26.1452 -21.2238 -34.1894 -20.235 4.55814 -41.2521 -32.0875 -45.8849 16.5375 TIMING: 3985600 CPU: 12917.6, 0.0031193/step Wall: 12917.6, 0.0031193/step, 0.878949 hours remaining, 234.625000 MB of memory in use. ENERGY: 3985600 4086.5451 20401.5129 14462.2775 245.4781 -203425.2965 2570.5285 0.0000 0.0000 52034.7315 -109624.2229 299.0443 -161658.9544 -109267.2490 298.9639 -288.1293 -256.7749 760957.9441 15.8123 15.7469 PRESSURE: 3985800 4.31249 163.744 148.835 163.744 -32.5852 18.8902 148.835 18.8898 138.547 GPRESSURE: 3985800 26.3021 60.3771 168.117 185.188 32.8287 52.9442 -44.5195 8.64233 142.501 PRESSAVG: 3985800 -45.7053 -4.3469 -3.01605 -4.34689 42.1342 -49.7367 -3.01603 -49.7367 4.39887 GPRESSAVG: 3985800 -47.2958 -5.55598 -3.46471 -5.5251 43.7522 -52.8624 -5.13816 -48.5982 4.41565 TIMING: 3985800 CPU: 12918.3, 0.00311585/step Wall: 12918.3, 0.00311585/step, 0.877804 hours remaining, 234.625000 MB of memory in use. ENERGY: 3985800 4017.8405 20459.4291 14409.6810 229.8617 -203769.3440 2683.7281 0.0000 0.0000 52499.6064 -109469.1972 301.7160 -161968.8036 -109100.8527 299.1130 36.7581 67.2108 760820.1608 0.2759 0.2907 PRESSURE: 3986000 233.558 68.2911 -131.52 68.292 -265.114 -24.7071 -131.521 -24.7065 451.046 GPRESSURE: 3986000 221.879 133.204 -174.059 196.859 -258.778 44.3639 -31.6325 29.092 537.928 PRESSAVG: 3986000 64.8483 -2.00811 29.2399 -2.00815 -48.6808 -66.4857 29.2398 -66.4856 -5.9912 GPRESSAVG: 3986000 67.0838 -2.51586 30.455 -2.13459 -50.5378 -64.3476 30.7014 -66.6194 -5.85616 TIMING: 3986000 CPU: 12918.9, 0.00311846/step Wall: 12918.9, 0.00311846/step, 0.878367 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3986000 3986.6610 20826.5317 14395.7853 226.8989 -203453.7696 2769.4050 0.0000 0.0000 51793.3806 -109455.1071 297.6573 -161248.4877 -109098.8448 299.1571 139.8299 167.0096 760547.9670 3.3921 3.5633 PRESSURE: 3986200 -120.546 -198.95 -230.156 -198.95 -219.946 197.471 -230.155 197.47 -674.856 GPRESSURE: 3986200 -127.917 -128.286 -257.332 -45.4568 -225.184 173.151 -130.493 141.349 -547.389 PRESSAVG: 3986200 -45.2227 -54.7441 8.86056 -54.7441 1.49375 48.6753 8.86057 48.6752 10.2567 GPRESSAVG: 3986200 -45.8428 -54.2469 8.80534 -55.4333 1.83629 48.1794 7.2388 48.3559 10.631 TIMING: 3986200 CPU: 12919.5, 0.00312435/step Wall: 12919.5, 0.00312435/step, 0.879852 hours remaining, 234.625000 MB of memory in use. ENERGY: 3986200 3997.4414 20551.8979 14458.3453 245.0507 -202948.5581 2311.7712 0.0000 0.0000 51944.2895 -109439.7622 298.5245 -161384.0516 -109063.9112 299.1091 -338.4493 -300.1635 762754.0702 -11.1574 -11.1252 PRESSURE: 3986400 -82.9867 -13.7903 45.9405 -13.7907 -244.825 -58.1539 45.9411 -58.153 -418.257 GPRESSURE: 3986400 26.9048 24.6653 -60.0668 -8.76873 -280.409 -49.893 33.2535 -14.7343 -414.202 PRESSAVG: 3986400 22.6583 36.3029 38.9278 36.3028 -43.4996 14.4564 38.9278 14.4564 -14.4038 GPRESSAVG: 3986400 22.5769 38.7002 38.5397 35.7293 -43.0973 14.2391 39.7397 14.1596 -14.6131 TIMING: 3986400 CPU: 12920.1, 0.00311771/step Wall: 12920.1, 0.00311771/step, 0.877808 hours remaining, 234.625000 MB of memory in use. ENERGY: 3986400 4056.8099 20707.1958 14492.5563 242.1939 -203440.8907 2477.6152 0.0000 0.0000 52042.5914 -109421.9281 299.0895 -161464.5195 -109052.5077 299.0218 -248.6897 -222.5688 762178.0577 -11.7484 -11.7112 PRESSURE: 3986600 -432.556 152.964 67.8669 152.964 419.878 9.81784 67.8675 9.81869 21.5355 GPRESSURE: 3986600 -340.526 105.187 48.0816 167.174 371.296 19.705 66.539 -17.0616 55.5076 PRESSAVG: 3986600 -26.9148 22.3615 31.0657 22.3615 19.7202 -61.7135 31.0657 -61.7134 -39.0096 GPRESSAVG: 3986600 -27.1772 20.9538 29.3748 22.4925 19.2361 -64.1458 33.107 -61.7275 -37.9032 TIMING: 3986600 CPU: 12920.8, 0.00311298/step Wall: 12920.8, 0.00311298/step, 0.876305 hours remaining, 234.625000 MB of memory in use. ENERGY: 3986600 4033.8938 20802.1267 14467.2168 250.6823 -203467.6692 2744.9202 0.0000 0.0000 51801.5514 -109367.2779 297.7042 -161168.8293 -109018.2942 299.9817 2.9525 28.7592 762600.2082 -15.4014 -15.2814 PRESSURE: 3986800 11.8305 194.718 -28.8831 194.718 -217.619 158.665 -28.8836 158.665 -255.829 GPRESSURE: 3986800 63.9701 182.105 -72.6147 233.432 -141.453 163.524 41.0487 100.662 -291.129 PRESSAVG: 3986800 -3.51895 3.49637 49.6173 3.49637 -13.8247 -20.1252 49.6173 -20.1252 -12.1839 GPRESSAVG: 3986800 -3.31436 1.74606 49.5299 6.63707 -13.5112 -19.4587 51.7059 -18.8437 -13.1168 TIMING: 3986800 CPU: 12921.4, 0.00311244/step Wall: 12921.4, 0.00311244/step, 0.875978 hours remaining, 234.625000 MB of memory in use. ENERGY: 3986800 3994.4421 20557.6856 14381.1030 255.1743 -203497.6351 2652.3744 0.0000 0.0000 52096.9101 -109559.9457 299.4017 -161656.8557 -109189.6163 299.9471 -153.8723 -122.8705 761838.8802 -9.8425 -9.9808 PRESSURE: 3987000 -91.2657 83.6795 19.2999 83.6798 -77.7801 -91.4677 19.2999 -91.4686 169.517 GPRESSURE: 3987000 17.7441 1.00187 -7.86653 -33.75 -109.642 -99.3311 19.5823 7.26729 172.915 PRESSAVG: 3987000 -11.3376 6.54051 -21.3918 6.5405 3.11076 -16.8276 -21.3918 -16.8276 -2.02324 GPRESSAVG: 3987000 -10.9669 7.17477 -21.6411 4.56895 2.32496 -17.3237 -22.6707 -13.7402 -1.83665 TIMING: 3987000 CPU: 12922, 0.00310779/step Wall: 12922, 0.00310779/step, 0.874498 hours remaining, 234.625000 MB of memory in use. ENERGY: 3987000 3956.5009 20738.8255 14387.3880 241.8582 -203471.7904 2623.9852 0.0000 0.0000 51744.1893 -109779.0433 297.3746 -161523.2326 -109430.2126 298.9977 0.1571 27.0056 760341.6532 -3.4167 -3.4929 PRESSURE: 3987200 539.871 -9.56857 1.77512 -9.56926 -103.652 120.651 1.77476 120.652 -326.162 GPRESSURE: 3987200 498.607 -70.789 57.1382 22.6561 -73.6201 -8.12632 46.13 122.588 -248.945 PRESSAVG: 3987200 54.9246 -30.1758 -14.4581 -30.1758 -57.593 -60.8851 -14.4581 -60.8852 -6.45828 GPRESSAVG: 3987200 53.1052 -29.6048 -11.8273 -31.2204 -57.5276 -60.5765 -16.5431 -62.4399 -5.82098 TIMING: 3987200 CPU: 12922.6, 0.00310286/step Wall: 12922.6, 0.00310286/step, 0.872938 hours remaining, 234.625000 MB of memory in use. ENERGY: 3987200 3982.7960 20453.6526 14397.1705 238.7546 -203522.6746 2660.6624 0.0000 0.0000 51944.8478 -109844.7906 298.5278 -161789.6385 -109484.9353 298.4875 36.6858 58.6807 761211.7322 -3.0422 -3.4145 PRESSURE: 3987400 -56.1552 -1.94603 85.7109 -1.94688 126.115 45.3242 85.7104 45.3224 2.18732 GPRESSURE: 3987400 -59.7791 35.8714 -15.493 1.83585 191.269 -61.6813 59.5462 20.6918 55.3251 PRESSAVG: 3987400 59.93 -23.185 14.7457 -23.1851 -40.7945 -3.57612 14.7456 -3.5761 -2.88425 GPRESSAVG: 3987400 60.6281 -22.1989 11.9902 -20.5929 -41.88 -3.3374 16.5083 -5.33264 -2.22929 TIMING: 3987400 CPU: 12923.2, 0.00311282/step Wall: 12923.2, 0.00311282/step, 0.875567 hours remaining, 234.625000 MB of memory in use. ENERGY: 3987400 3997.2173 20524.1924 14461.0980 270.3627 -203675.9985 2612.9979 0.0000 0.0000 52041.9347 -109768.1956 299.0857 -161810.1303 -109415.8941 298.8922 24.0491 62.2717 760775.4416 5.4171 5.5063 PRESSURE: 3987600 -268.832 116.96 -209.833 116.961 -654.13 -133.703 -209.833 -133.702 -173.577 GPRESSURE: 3987600 -291.444 63.9743 -175.695 77.4958 -521.458 -110.38 -183.225 -113.439 -193.141 PRESSAVG: 3987600 40.9751 -6.02294 -10.3011 -6.02296 11.0036 2.54193 -10.301 2.54191 -9.79973 GPRESSAVG: 3987600 40.6288 -7.17094 -9.9275 -8.51803 12.8401 2.5429 -12.4589 2.85907 -11.0068 TIMING: 3987600 CPU: 12923.9, 0.00310826/step Wall: 12923.9, 0.00310826/step, 0.874112 hours remaining, 234.625000 MB of memory in use. ENERGY: 3987600 3994.6429 20376.2825 14511.4276 244.1846 -203389.2172 2253.3876 0.0000 0.0000 52086.9067 -109922.3853 299.3442 -162009.2919 -109559.6898 298.7480 -365.5130 -335.3473 760722.8673 14.0597 14.1540 PRESSURE: 3987800 -167.601 -182.526 71.9373 -182.527 -140.704 28.4006 71.9376 28.4006 167.517 GPRESSURE: 3987800 -186.91 -223.944 151.711 -127.924 -122.864 15.573 73.9627 28.3155 243.728 PRESSAVG: 3987800 -14.8648 -31.0263 -18.9088 -31.0263 -10.913 -52.5314 -18.9088 -52.5315 -11.4846 GPRESSAVG: 3987800 -15.526 -30.7811 -18.3291 -29.4956 -11.5749 -50.4757 -15.7904 -53.08 -10.6105 TIMING: 3987800 CPU: 12924.5, 0.00311958/step Wall: 12924.5, 0.00311958/step, 0.877122 hours remaining, 234.625000 MB of memory in use. ENERGY: 3987800 3992.1576 20450.5722 14528.2942 244.4896 -203954.1465 2649.5829 0.0000 0.0000 52171.3118 -109917.7382 299.8292 -162089.0500 -109551.3114 298.3664 -46.9294 -22.0155 761424.2066 -12.4208 -12.5705 PRESSURE: 3988000 -272.251 -17.3377 -38.1934 -17.3377 9.80608 205.636 -38.1941 205.635 -46.821 GPRESSURE: 3988000 -127.19 -10.6969 5.14044 -18.7235 -126.423 184.357 -13.0807 235.271 18.5358 PRESSAVG: 3988000 48.8044 -41.9757 -18.9529 -41.9757 -46.44 -13.1712 -18.9529 -13.1712 18.2088 GPRESSAVG: 3988000 51.9744 -41.1842 -19.0435 -43.6964 -47.7277 -15.1963 -22.2239 -11.927 17.054 TIMING: 3988000 CPU: 12925.1, 0.00312116/step Wall: 12925.1, 0.00312116/step, 0.877393 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3988000 3920.4397 20679.9950 14523.7060 242.1951 -203927.8245 2752.2399 0.0000 0.0000 51829.1536 -109980.0951 297.8629 -161809.2487 -109619.1552 298.5991 -103.0885 -78.3590 760238.3448 6.8577 7.1002 PRESSURE: 3988200 338.253 -0.523429 -227.476 -0.524435 -58.3674 -1.03556 -227.476 -1.03529 118.828 GPRESSURE: 3988200 417.89 -26.6839 -293.022 48.0259 -42.4795 -33.601 -306.745 -46.6754 112.075 PRESSAVG: 3988200 67.86 -51.5461 -20.2855 -51.5461 -57.5767 19.4869 -20.2855 19.487 0.989686 GPRESSAVG: 3988200 66.6643 -50.6146 -19.9278 -52.1136 -57.5878 19.2077 -17.0229 18.8525 1.78258 TIMING: 3988200 CPU: 12925.7, 0.00310466/step Wall: 12925.7, 0.00310466/step, 0.872583 hours remaining, 234.625000 MB of memory in use. ENERGY: 3988200 4003.9464 20513.7462 14423.4660 255.6686 -203901.1542 2878.5195 0.0000 0.0000 51661.5831 -110164.2244 296.8998 -161825.8075 -109809.5338 297.8903 132.9048 162.4949 761162.6305 3.7577 3.6197 LDB: ============= START OF LOAD BALANCING ============== 12938.1 LDB: ============== END OF LOAD BALANCING =============== 12938.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12938.1 LDB: ============= START OF LOAD BALANCING ============== 12938.5 LDB: Largest compute 7078 load 0.033313 is 17.0% of average load 0.195562 LDB: Average compute 0.004411 is 2.3% of average load 0.195562 LDB: TIME 12938.5 LOAD: AVG 0.195562 MAX 0.216012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.512 MB LDB: TIME 12938.5 LOAD: AVG 0.195562 MAX 0.216012 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 12938.5 LOAD: AVG 0.195562 MAX 0.216012 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 12938.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12938.5 PRESSURE: 3988400 198.698 -32.2426 -19.1915 -32.2411 -22.507 -96.2962 -19.1915 -96.2973 192.63 GPRESSURE: 3988400 95.9546 -175.417 -51.2311 -32.138 123.48 -126.294 -21.6843 -105.345 243.589 PRESSAVG: 3988400 23.2262 -35.8266 23.0055 -35.8265 -48.519 -40.1708 23.0055 -40.1708 20.4146 GPRESSAVG: 3988400 22.6265 -38.2007 24.0869 -37.1715 -48.4292 -38.9735 23.3906 -40.1403 20.644 TIMING: 3988400 CPU: 12926.4, 0.00317186/step Wall: 12926.4, 0.00317186/step, 0.891294 hours remaining, 235.136719 MB of memory in use. ENERGY: 3988400 3965.4193 20342.2213 14426.3748 231.8545 -203554.3408 2530.8805 0.0000 0.0000 52023.9170 -110033.6734 298.9822 -162057.5904 -109666.7910 298.2251 122.9405 154.3414 760800.9629 -1.6260 -1.7196 PRESSURE: 3988600 41.8521 -48.2153 -31.3257 -48.2155 -362.786 -189.734 -31.3255 -189.734 -214.319 GPRESSURE: 3988600 103.67 -105.667 -115.926 -155.842 -346.722 -114.715 14.6036 -173.88 -205.174 PRESSAVG: 3988600 10.1128 -36.124 16.5195 -36.124 -29.8002 -34.1824 16.5196 -34.1824 10.5719 GPRESSAVG: 3988600 8.86146 -35.3189 14.7993 -36.263 -29.4504 -32.8999 14.8876 -33.1933 10.7521 TIMING: 3988600 CPU: 12927, 0.00310985/step Wall: 12927, 0.00310985/step, 0.873695 hours remaining, 235.332031 MB of memory in use. ENERGY: 3988600 4076.8233 20333.3254 14495.4586 253.7843 -204016.4645 2792.4975 0.0000 0.0000 52121.3820 -109943.1934 299.5423 -162064.5754 -109584.1665 298.4999 -178.4176 -149.4087 760138.9472 -3.0385 -3.2790 PRESSURE: 3988800 -91.0371 182.091 -7.78044 182.091 -64.8365 187.417 -7.78103 187.417 3.76035 GPRESSURE: 3988800 -30.4679 32.3593 -85.9333 204.996 0.274073 141.539 -46.2574 258.871 -25.165 PRESSAVG: 3988800 15.0467 -22.3778 39.763 -22.3779 -11.8541 30.566 39.7629 30.566 -6.30699 GPRESSAVG: 3988800 15.7516 -22.5859 40.4309 -19.793 -11.7327 28.3184 38.5313 29.8125 -6.57729 TIMING: 3988800 CPU: 12927.6, 0.00311048/step Wall: 12927.6, 0.00311048/step, 0.873699 hours remaining, 235.332031 MB of memory in use. ENERGY: 3988800 4053.8862 20484.7949 14384.6054 259.8477 -203759.0452 2627.0592 0.0000 0.0000 52051.0708 -109897.7809 299.1382 -161948.8517 -109532.3562 298.8099 -50.7044 -18.4529 761059.7646 -1.0381 -0.8528 PRESSURE: 3989000 159.854 -7.05014 -62.3528 -7.04993 -314.074 170.01 -62.3518 170.01 25.1944 GPRESSURE: 3989000 153.127 -49.8319 -86.6354 131.171 -179.856 148.759 -51.1248 251.548 -23.0201 PRESSAVG: 3989000 81.3514 -31.3197 -48.0103 -31.3197 -55.4906 47.4637 -48.0103 47.4636 0.299428 GPRESSAVG: 3989000 81.2809 -31.3991 -47.6706 -30.7816 -55.2872 48.2529 -46.7002 47.4048 0.341161 TIMING: 3989000 CPU: 12928.2, 0.00310261/step Wall: 12928.2, 0.00310261/step, 0.871315 hours remaining, 235.535156 MB of memory in use. ENERGY: 3989000 4029.2312 20444.4567 14404.7263 271.6799 -203455.1330 2225.6170 0.0000 0.0000 52252.4101 -109827.0117 300.2953 -162079.4218 -109462.6736 298.8708 -43.0085 -16.5833 760016.2052 8.7201 8.7783 PRESSURE: 3989200 347.391 -19.4602 -19.6658 -19.4598 107.271 -53.1289 -19.6659 -53.13 -30.2726 GPRESSURE: 3989200 399.295 -6.92578 -52.3039 48.3677 144.377 -0.0812916 -39.0707 -166.52 -42.0678 PRESSAVG: 3989200 46.8208 -13.2609 -36.2646 -13.2609 -28.0329 13.8197 -36.2646 13.8198 -0.88122 GPRESSAVG: 3989200 47.4748 -12.991 -36.4629 -15.2934 -27.9947 14.5811 -36.393 14.185 -1.54328 TIMING: 3989200 CPU: 12928.9, 0.00311172/step Wall: 12928.9, 0.00311172/step, 0.873701 hours remaining, 235.535156 MB of memory in use. ENERGY: 3989200 4064.4106 20308.0393 14497.8156 253.3174 -203579.5951 2591.8165 0.0000 0.0000 51903.0913 -109961.1045 298.2878 -161864.1957 -109598.3544 298.6358 141.4632 167.2014 758977.3776 5.9689 5.9789 PRESSURE: 3989400 183.244 -63.5892 -103.494 -63.59 -223.277 -31.4966 -103.492 -31.496 538.724 GPRESSURE: 3989400 137.44 51.1711 -20.9397 -45.872 -132.623 -97.871 -86.4721 129.389 596.431 PRESSAVG: 3989400 -12.2336 -23.8682 -24.8175 -23.8683 -13.3552 17.7877 -24.8175 17.7878 13.8534 GPRESSAVG: 3989400 -13.8262 -23.381 -25.4148 -23.02 -12.3709 14.8832 -23.9829 17.2265 14.7796 TIMING: 3989400 CPU: 12929.5, 0.00313501/step Wall: 12929.5, 0.00313501/step, 0.880068 hours remaining, 235.738281 MB of memory in use. ENERGY: 3989400 4017.8418 20423.4036 14359.3782 236.4192 -203263.9096 2458.7657 0.0000 0.0000 51612.2205 -110155.8805 296.6161 -161768.1010 -109802.3404 298.1161 166.2302 200.4159 760634.6443 -3.9118 -3.8058 PRESSURE: 3989600 -72.881 32.9529 -35.8322 32.9534 -56.1795 41.3831 -35.832 41.3832 296.364 GPRESSURE: 3989600 -1.48773 -46.7209 0.321472 20.853 39.7303 46.916 -3.94468 66.5168 237.695 PRESSAVG: 3989600 -22.8996 -31.4142 -54.9535 -31.4142 -8.68584 -12.8756 -54.9534 -12.8756 -12.9333 GPRESSAVG: 3989600 -22.4681 -32.1108 -53.7841 -32.4087 -8.25045 -10.9754 -57.1876 -14.4024 -13.3927 TIMING: 3989600 CPU: 12930.1, 0.00313396/step Wall: 12930.1, 0.00313396/step, 0.879598 hours remaining, 235.738281 MB of memory in use. ENERGY: 3989600 3958.2318 20261.0971 14426.7486 244.5439 -203595.4261 2483.8825 0.0000 0.0000 51999.6923 -110221.2299 298.8429 -162220.9222 -109861.9112 297.3085 55.7680 91.9793 760104.7799 -14.8396 -14.7038 PRESSURE: 3989800 243.178 44.5431 26.6739 44.5426 82.1162 -24.5405 26.6746 -24.5404 -290.417 GPRESSURE: 3989800 345.144 64.0486 10.5972 117.98 -57.7438 -39.0385 -88.1903 -108.441 -171.396 PRESSAVG: 3989800 15.4318 -28.9196 -3.40661 -28.9197 5.64233 -29.0757 -3.4066 -29.0758 14.5841 GPRESSAVG: 3989800 15.9577 -28.7105 -4.19889 -28.5942 4.02583 -30.5461 -2.04484 -27.16 15.5941 TIMING: 3989800 CPU: 12930.7, 0.00311961/step Wall: 12930.7, 0.00311961/step, 0.875397 hours remaining, 235.738281 MB of memory in use. ENERGY: 3989800 3962.1746 20219.8653 14466.3598 250.0263 -203277.5226 2546.3767 0.0000 0.0000 51618.2900 -110214.4298 296.6510 -161832.7198 -109843.1522 297.4236 11.6258 38.6681 760918.1102 11.8861 11.8592 PRESSURE: 3990000 505.148 -54.5243 61.1086 -54.525 388.793 15.2295 61.1086 15.2292 -140.842 GPRESSURE: 3990000 526.217 66.7685 36.6493 -19.9668 393.536 38.956 46.6371 -4.25213 -83.0386 PRESSAVG: 3990000 -40.1177 -28.3139 -7.79001 -28.3139 -35.0682 -38.6158 -7.79003 -38.6158 13.745 GPRESSAVG: 3990000 -38.858 -27.393 -6.78195 -27.6077 -35.4399 -36.7505 -9.66477 -39.1776 12.5652 TIMING: 3990000 CPU: 12931.4, 0.00312/step Wall: 12931.4, 0.00312/step, 0.875333 hours remaining, 235.738281 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: 3990000 3985.1268 20457.0773 14467.2667 253.3211 -204111.2272 3064.8619 0.0000 0.0000 51841.2317 -110042.3418 297.9323 -161883.5735 -109691.1811 297.1008 251.0332 278.9047 759275.1273 -20.4803 -20.5776 PRESSURE: 3990200 101.107 80.5168 -259.921 80.5172 209.64 -114.252 -259.921 -114.25 533.729 GPRESSURE: 3990200 187.38 49.8775 -332.822 100.937 234.855 -72.2988 -128.442 -13.9887 512.296 PRESSAVG: 3990200 19.11 -7.96442 -60.1622 -7.96446 -70.4673 -9.69022 -60.1622 -9.69024 5.65541 GPRESSAVG: 3990200 16.8309 -8.55131 -60.6822 -8.79575 -70.185 -10.3705 -56.946 -9.20683 7.81264 TIMING: 3990200 CPU: 12932, 0.00310986/step Wall: 12932, 0.00310986/step, 0.872317 hours remaining, 235.738281 MB of memory in use. ENERGY: 3990200 3943.0381 20644.1381 14425.2955 269.1271 -203305.5979 2481.3939 0.0000 0.0000 51672.8244 -109869.7808 296.9644 -161542.6052 -109510.0783 297.3623 281.4920 311.5104 759572.3295 -15.2340 -15.1805 PRESSURE: 3990400 -21.1054 35.1134 -16.8715 35.1143 206.677 361.287 -16.8726 361.288 93.2689 GPRESSURE: 3990400 13.2659 -26.1376 46.6081 -15.227 234.635 355.372 -115.454 315.727 114.048 PRESSAVG: 3990400 -14.7179 -6.05109 -8.21161 -6.05108 44.7545 15.7832 -8.21165 15.7831 8.43881 GPRESSAVG: 3990400 -14.3887 -6.54725 -7.75221 -3.37803 45.3687 14.7906 -10.3385 16.4092 7.21003 TIMING: 3990400 CPU: 12932.6, 0.00310938/step Wall: 12932.6, 0.00310938/step, 0.87201 hours remaining, 235.738281 MB of memory in use. ENERGY: 3990400 3940.5618 20534.1784 14398.9991 259.2311 -203600.8785 2756.1811 0.0000 0.0000 51888.2458 -109823.4812 298.2025 -161711.7270 -109467.1175 298.2545 92.9469 120.6498 761385.9166 12.8251 12.7300 PRESSURE: 3990600 -86.8027 123.63 -51.7683 123.63 65.7845 161.369 -51.7683 161.369 -463.866 GPRESSURE: 3990600 -50.858 100.309 41.3984 40.872 160.662 150.052 -29.2463 11.7416 -489.42 PRESSAVG: 3990600 -17.3367 -22.4729 -1.51099 -22.4728 39.0047 10.4851 -1.51101 10.485 25.6481 GPRESSAVG: 3990600 -17.2718 -20.4607 -2.55406 -25.1665 39.1405 10.1114 -1.89944 10.8135 25.4511 TIMING: 3990600 CPU: 12933.2, 0.00311095/step Wall: 12933.2, 0.00311095/step, 0.872276 hours remaining, 235.738281 MB of memory in use. ENERGY: 3990600 4046.4007 20383.9630 14423.2331 257.0738 -203541.3897 2609.0785 0.0000 0.0000 51794.4699 -110027.1707 297.6635 -161821.6406 -109668.2995 298.3941 -161.6279 -126.5386 759757.4122 15.7720 15.7733 PRESSURE: 3990800 -109.248 -133.109 45.3181 -133.109 -22.7844 -66.8338 45.3184 -66.8342 -254.422 GPRESSURE: 3990800 -5.2703 -106.097 66.9511 -149.87 -35.3091 48.5834 83.895 -129.097 -266.405 PRESSAVG: 3990800 -3.72513 2.37797 21.584 2.37792 -12.0317 6.44403 21.5839 6.44401 15.7382 GPRESSAVG: 3990800 -4.10406 2.32942 21.202 2.29826 -11.9563 7.78232 21.8198 6.3425 15.9705 TIMING: 3990800 CPU: 12933.8, 0.00311036/step Wall: 12933.8, 0.00311036/step, 0.871938 hours remaining, 235.738281 MB of memory in use. ENERGY: 3990800 3953.6637 20478.7625 14436.9231 223.8784 -203742.3541 2640.3800 0.0000 0.0000 52119.8557 -109888.8907 299.5335 -162008.7464 -109520.4066 298.4240 -128.8183 -102.3281 760988.4639 -0.0062 -0.0299 PRESSURE: 3991000 28.4461 42.6372 161.986 42.6358 124.366 -5.81081 161.986 -5.81119 130.762 GPRESSURE: 3991000 21.1825 44.0723 143.895 6.04833 90.5573 3.73905 189.863 39.0564 255.093 PRESSAVG: 3991000 -47.7596 -18.0436 15.7466 -18.0437 50.3417 28.9034 15.7466 28.9033 -3.69773 GPRESSAVG: 3991000 -48.506 -19.9333 18.4834 -17.2076 50.4541 29.6603 15.0303 25.8236 -3.27142 TIMING: 3991000 CPU: 12934.5, 0.00310782/step Wall: 12934.5, 0.00310782/step, 0.871053 hours remaining, 235.738281 MB of memory in use. ENERGY: 3991000 3927.7449 20544.1440 14424.3090 241.8566 -203214.6389 2350.1475 0.0000 0.0000 52015.3217 -109711.1152 298.9328 -161726.4368 -109339.1668 298.3152 94.5246 122.2777 760614.5925 -0.3719 -0.4411 PRESSURE: 3991200 -67.9941 211.277 110.983 211.278 -196.574 -3.01141 110.984 -3.0115 -211.867 GPRESSURE: 3991200 -30.3658 136.748 12.8027 151.862 -167.085 111.355 116.167 -40.6066 -203.677 PRESSAVG: 3991200 27.7626 -20.1651 15.5589 -20.1651 47.6331 -24.6466 15.559 -24.6465 -12.9568 GPRESSAVG: 3991200 29.6226 -21.5011 13.3308 -19.9713 46.4379 -24.8659 16.8751 -21.4329 -13.3144 TIMING: 3991200 CPU: 12935.1, 0.00312169/step Wall: 12935.1, 0.00312169/step, 0.874766 hours remaining, 235.738281 MB of memory in use. ENERGY: 3991200 4018.1485 20382.9284 14476.8071 256.6716 -204126.1273 2864.6997 0.0000 0.0000 52210.4246 -109916.4474 300.0540 -162126.8720 -109538.7951 299.0462 -158.8118 -133.7093 759393.4821 20.8130 20.9153 PRESSURE: 3991400 19.2665 -18.485 -144.576 -18.4841 -116.829 71.6019 -144.575 71.6028 -24.7295 GPRESSURE: 3991400 40.522 39.7465 -164.953 -80.353 -70.213 50.1576 -249.476 48.6365 -4.75299 PRESSAVG: 3991400 7.18464 -46.4736 -57.0295 -46.4736 -17.6731 -25.8334 -57.0295 -25.8334 6.21519 GPRESSAVG: 3991400 7.56282 -47.3314 -57.3045 -44.701 -17.1908 -25.6295 -58.7661 -25.6606 5.72409 TIMING: 3991400 CPU: 12935.7, 0.00311719/step Wall: 12935.7, 0.00311719/step, 0.873334 hours remaining, 235.738281 MB of memory in use. ENERGY: 3991400 4075.1987 20428.4271 14444.2347 269.7469 -203838.3826 2760.0745 0.0000 0.0000 51896.0005 -109964.7002 298.2470 -161860.7007 -109615.5321 298.6698 -40.7641 -11.4813 760940.7370 -1.4244 -1.3013 PRESSURE: 3991600 73.3139 50.4386 -131.18 50.4391 -184.145 43.4407 -131.179 43.4403 -282.87 GPRESSURE: 3991600 109.579 22.697 -107.013 -13.5633 -144.11 114.938 10.8812 -129.579 -256.718 PRESSAVG: 3991600 8.01466 -51.2631 -19.8213 -51.263 -46.3316 -45.759 -19.8213 -45.759 -0.59568 GPRESSAVG: 3991600 6.77872 -48.3622 -17.0364 -53.783 -46.6325 -45.3383 -21.568 -48.2345 0.1308 TIMING: 3991600 CPU: 12936.3, 0.00313548/step Wall: 12936.3, 0.00313548/step, 0.878282 hours remaining, 235.738281 MB of memory in use. ENERGY: 3991600 3970.5447 20498.9915 14462.9821 236.0704 -203832.1029 2825.2636 0.0000 0.0000 51935.1978 -109903.0529 298.4723 -161838.2506 -109538.6379 298.5410 -131.2337 -97.0829 759875.8044 -12.9709 -13.2410 PRESSURE: 3991800 -172.346 -249.884 -23.0882 -249.884 -244.346 -137.739 -23.0878 -137.737 48.4885 GPRESSURE: 3991800 -164.278 -194.809 -65.7965 -134.867 -186.166 -47.0639 94.0283 -323.392 83.061 PRESSAVG: 3991800 42.2443 3.46 -57.5367 3.46004 -24.7821 -1.05376 -57.5367 -1.05366 0.766832 GPRESSAVG: 3991800 42.0515 3.24215 -60.2873 4.13955 -25.5441 -2.58771 -52.6363 -0.307868 1.66313 TIMING: 3991800 CPU: 12937, 0.00313368/step Wall: 12937, 0.00313368/step, 0.877604 hours remaining, 235.738281 MB of memory in use. ENERGY: 3991800 3951.7200 20425.2790 14490.7522 261.6117 -203933.1458 2742.8935 0.0000 0.0000 52278.2707 -109782.6186 300.4439 -162060.8893 -109422.1383 298.4004 -122.7344 -89.1276 762283.0610 6.0764 6.0568 PRESSURE: 3992000 -16.7562 316.02 -6.07988 316.02 -85.1973 27.229 -6.08042 27.2285 -410.921 GPRESSURE: 3992000 109.414 204.984 -8.90957 321.216 -153.554 85.8632 -29.64 -11.3325 -396.453 PRESSAVG: 3992000 37.2829 2.07695 16.7596 2.07693 -13.1896 34.2341 16.7597 34.2341 5.90399 GPRESSAVG: 3992000 38.6609 0.690336 16.6716 1.361 -13.5233 34.6322 13.7213 33.2229 4.66546 TIMING: 3992000 CPU: 12937.6, 0.00311788/step Wall: 12937.6, 0.00311788/step, 0.873008 hours remaining, 235.738281 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: 3992000 4092.0644 20527.9497 14504.3289 242.1697 -203764.6071 2523.0514 0.0000 0.0000 51982.5329 -109892.5101 298.7443 -161875.0430 -109539.6569 298.6269 -170.9581 -146.8645 760688.0875 9.9991 9.9343 PRESSURE: 3992200 -176.343 256.061 58.718 256.061 -105.043 90.9796 58.7179 90.9793 -254.563 GPRESSURE: 3992200 -92.6181 147.497 83.4494 294.069 -129.278 102.091 57.696 61.9934 -222.272 PRESSAVG: 3992200 3.33444 31.6477 -0.675009 31.6477 0.348971 20.3582 -0.675118 20.3581 -3.46525 GPRESSAVG: 3992200 2.10252 31.9331 -2.32741 33.975 2.30722 21.4756 2.24255 22.5582 -3.69941 TIMING: 3992200 CPU: 12938.2, 0.00310976/step Wall: 12938.2, 0.00310976/step, 0.870561 hours remaining, 235.738281 MB of memory in use. ENERGY: 3992200 4019.5063 20401.0473 14441.8558 253.0680 -203601.7728 2604.7525 0.0000 0.0000 51964.9455 -109916.5974 298.6433 -161881.5429 -109551.0363 298.4257 -178.6496 -148.0561 760343.3244 0.0727 0.2368 LDB: ============= START OF LOAD BALANCING ============== 12950.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12950.6 LDB: =============== DONE WITH MIGRATION ================ 12950.6 LDB: ============= START OF LOAD BALANCING ============== 12950.9 LDB: Largest compute 7068 load 0.033990 is 17.4% of average load 0.195661 LDB: Average compute 0.004403 is 2.3% of average load 0.195661 LDB: TIME 12950.9 LOAD: AVG 0.195661 MAX 0.21597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12950.9 LOAD: AVG 0.195661 MAX 0.21597 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 12950.9 LOAD: AVG 0.195661 MAX 0.21597 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 12950.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12951 PRESSURE: 3992400 250.83 81.886 270.337 81.8859 55.3468 -4.59082 270.337 -4.59065 108.753 GPRESSURE: 3992400 227.482 104.28 275.289 185.095 166.271 -110.798 155.026 50.4525 95.9848 PRESSAVG: 3992400 17.8562 -21.1778 -26.3736 -21.1777 -1.14623 -51.2275 -26.3736 -51.2274 -14.3726 GPRESSAVG: 3992400 17.768 -20.2496 -24.5722 -21.1838 -2.16832 -53.8111 -28.3085 -49.1752 -13.0885 TIMING: 3992400 CPU: 12938.8, 0.00317967/step Wall: 12938.8, 0.00317967/step, 0.889954 hours remaining, 234.941406 MB of memory in use. ENERGY: 3992400 3950.4340 20354.8272 14473.9043 272.5068 -203692.7809 2751.6780 0.0000 0.0000 51944.4879 -109944.9427 298.5257 -161889.4306 -109584.6130 298.7560 138.3100 163.2457 759689.9383 0.7791 0.8370 PRESSURE: 3992600 -96.9445 -271.63 47.9159 -271.631 91.9465 -22.2132 47.9151 -22.2124 1.68519 GPRESSURE: 3992600 40.0076 -292.023 166.889 -323.734 49.238 17.8444 12.3488 25.517 -34.5004 PRESSAVG: 3992600 74.0183 -17.4592 6.13763 -17.4593 -61.1199 2.85998 6.13754 2.85999 -13.051 GPRESSAVG: 3992600 75.1886 -15.7696 6.3367 -18.2316 -60.959 3.53004 6.2633 1.12524 -14.9801 TIMING: 3992600 CPU: 12939.5, 0.00311845/step Wall: 12939.5, 0.00311845/step, 0.872646 hours remaining, 235.265625 MB of memory in use. ENERGY: 3992600 4027.1873 20511.5528 14503.8904 217.1927 -203687.5220 2626.2349 0.0000 0.0000 51794.4323 -110007.0315 297.6633 -161801.4638 -109657.9027 298.2634 -1.1043 18.2484 759922.7147 -0.0508 -0.2502 PRESSURE: 3992800 160.582 230.011 -59.3375 230.011 -71.8489 120.338 -59.3373 120.339 -275.903 GPRESSURE: 3992800 212.565 211.909 -50.658 134.492 -42.7055 160.025 -16.603 44.6686 -273.597 PRESSAVG: 3992800 32.3664 23.955 -3.52236 23.9551 -31.9717 0.589856 -3.52238 0.589826 10.832 GPRESSAVG: 3992800 31.162 21.3332 -5.9048 23.5643 -31.4263 2.14113 -3.72125 -0.624149 11.4131 TIMING: 3992800 CPU: 12940.1, 0.00312545/step Wall: 12940.1, 0.00312545/step, 0.874431 hours remaining, 235.468750 MB of memory in use. ENERGY: 3992800 3868.6070 20689.7127 14483.6103 246.2624 -203835.5510 2785.3612 0.0000 0.0000 52083.1785 -109678.8190 299.3227 -161761.9975 -109319.3282 298.4913 -62.3903 -34.5792 761112.0947 3.7423 3.7163 PRESSURE: 3993000 64.5752 19.6273 -145.097 19.6272 334.378 -41.5516 -145.097 -41.5528 383.552 GPRESSURE: 3993000 140.368 108.354 -146.827 34.3248 300.29 11.1074 -1.2442 -96.6369 422.142 PRESSAVG: 3993000 37.0743 69.265 -14.6138 69.2649 -52.7058 42.5082 -14.6138 42.5082 -4.88355 GPRESSAVG: 3993000 37.7677 69.7731 -12.7489 69.7644 -53.6628 42.0543 -12.5515 42.5839 -4.86432 TIMING: 3993000 CPU: 12940.7, 0.00314195/step Wall: 12940.7, 0.00314195/step, 0.878872 hours remaining, 235.468750 MB of memory in use. ENERGY: 3993000 3949.8443 20577.7543 14475.8555 226.2131 -203481.5771 2514.0012 0.0000 0.0000 51932.8405 -109805.0681 298.4587 -161737.9086 -109446.6476 298.9106 260.8351 287.6001 760920.3351 -6.8383 -6.9198 PRESSURE: 3993200 72.854 -60.2552 85.2228 -60.2552 146.237 205.465 85.2236 205.464 -81.0027 GPRESSURE: 3993200 81.516 -60.0368 57.0714 -59.9485 227.767 191.265 217.577 221.685 -85.8076 PRESSAVG: 3993200 40.7283 40.2008 -52.371 40.2008 -35.1608 43.5986 -52.3711 43.5986 5.26516 GPRESSAVG: 3993200 40.1808 41.3564 -52.5885 40.6956 -35.4196 41.6683 -53.607 45.7074 5.69662 TIMING: 3993200 CPU: 12941.3, 0.00313326/step Wall: 12941.3, 0.00313326/step, 0.876268 hours remaining, 235.468750 MB of memory in use. ENERGY: 3993200 3911.0146 20464.2510 14498.9228 234.7656 -203429.2632 2593.9842 0.0000 0.0000 52109.0685 -109617.2564 299.4715 -161726.3249 -109245.9904 298.6275 46.0293 74.4916 760345.6196 3.6109 3.4860 PRESSURE: 3993400 155.966 -311.029 -11.1154 -311.029 346.285 65.1547 -11.1158 65.1558 61.6124 GPRESSURE: 3993400 193.117 -233.153 -31.8613 -338.404 400.379 14.5945 -18.8459 -36.5144 64.7376 PRESSAVG: 3993400 -89.9482 5.90648 -40.0586 5.90647 67.1905 -14.8591 -40.0586 -14.8592 -3.50672 GPRESSAVG: 3993400 -90.8703 7.0485 -39.3655 4.69225 69.193 -12.5774 -40.3603 -18.5431 -4.76007 TIMING: 3993400 CPU: 12942, 0.00312076/step Wall: 12942, 0.00312076/step, 0.872599 hours remaining, 235.468750 MB of memory in use. ENERGY: 3993400 3962.1132 20510.6850 14349.9267 249.3625 -204037.5723 2950.0196 0.0000 0.0000 52277.6594 -109737.8059 300.4404 -162015.4653 -109378.7394 299.0816 187.9546 219.4112 759921.1131 -8.7548 -8.8125 PRESSURE: 3993600 -69.9763 85.9325 -123.692 85.9327 -460.984 -148.522 -123.693 -148.522 -196.34 GPRESSURE: 3993600 -67.4105 -106.845 -117.685 137.999 -386.077 -71.0541 -75.9082 -224.386 -206.956 PRESSAVG: 3993600 -49.718 26.3296 -4.27163 26.3296 15.8978 -48.021 -4.27168 -48.021 -0.767134 GPRESSAVG: 3993600 -47.7705 23.1278 -6.47836 28.4024 12.6412 -50.3053 -3.0483 -43.921 -0.229884 TIMING: 3993600 CPU: 12942.6, 0.00311937/step Wall: 12942.6, 0.00311937/step, 0.872038 hours remaining, 235.457031 MB of memory in use. ENERGY: 3993600 3978.1969 20525.2453 14476.8029 257.4759 -203336.8423 2609.8436 0.0000 0.0000 51893.4186 -109595.8591 298.2322 -161489.2777 -109234.7960 298.9985 -242.4335 -220.1477 761532.9043 -11.5291 -11.7864 PRESSURE: 3993800 76.6426 -104.044 -114.776 -104.044 -175.506 215.276 -114.776 215.275 268.967 GPRESSURE: 3993800 -29.3374 -76.7764 -68.2317 -77.0244 -25.005 255.493 -166.311 175.041 301.398 PRESSAVG: 3993800 38.7584 -44.0086 -42.1454 -44.0086 -45.012 -23.2851 -42.1455 -23.2851 16.3636 GPRESSAVG: 3993800 37.3742 -40.514 -40.67 -44.7338 -43.6004 -23.2724 -43.1747 -24.335 16.6732 TIMING: 3993800 CPU: 12943.2, 0.0031436/step Wall: 12943.2, 0.0031436/step, 0.878637 hours remaining, 235.457031 MB of memory in use. ENERGY: 3993800 4029.4038 20505.7630 14464.8316 231.3228 -203347.7268 2567.2300 0.0000 0.0000 52021.3134 -109527.8622 298.9672 -161549.1756 -109171.7611 298.9949 56.7011 82.3519 761099.7993 3.3700 3.4823 PRESSURE: 3994000 278.472 24.5921 173.166 24.5923 8.96463 191.908 173.166 191.91 411.357 GPRESSURE: 3994000 242.393 -76.6675 233.976 121.724 -4.76755 27.9603 104.613 63.6472 549.054 PRESSAVG: 3994000 -1.05916 12.065 -16.4546 12.0651 53.7207 -47.844 -16.4546 -47.8441 -3.25307 GPRESSAVG: 3994000 -2.47625 11.1115 -15.988 11.8843 54.9901 -47.7396 -16.6558 -48.086 -3.41386 TIMING: 3994000 CPU: 12943.9, 0.00314013/step Wall: 12943.9, 0.00314013/step, 0.877492 hours remaining, 235.457031 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: 3994000 3942.6610 20520.0109 14466.5456 243.3618 -203181.7050 2670.3442 0.0000 0.0000 51823.0699 -109515.7115 297.8279 -161338.7814 -109151.0175 299.2826 232.9312 262.2264 761416.2721 16.4695 16.3667 PRESSURE: 3994200 29.1828 55.817 -344.729 55.8166 358.576 -206.77 -344.729 -206.77 -107.135 GPRESSURE: 3994200 145.649 84.0187 -334.378 -12.0664 271.658 -199.378 -390.871 -161.921 -50.6534 PRESSAVG: 3994200 -13.772 62.5498 -24.7267 62.5497 64.8507 22.0825 -24.7268 22.0824 4.08921 GPRESSAVG: 3994200 -12.3246 61.6665 -25.9097 61.8666 63.2138 22.8041 -25.6176 20.8531 4.40562 TIMING: 3994200 CPU: 12944.5, 0.00313846/step Wall: 12944.5, 0.00313846/step, 0.876851 hours remaining, 235.457031 MB of memory in use. ENERGY: 3994200 3978.2020 20461.9282 14459.3386 248.9068 -203564.0047 2642.6633 0.0000 0.0000 52233.4792 -109539.4866 300.1865 -161772.9658 -109176.9210 299.2216 93.5413 122.2178 759886.5943 18.3893 18.4316 PRESSURE: 3994400 -57.0432 -220.476 -68.0139 -220.475 -335.357 202.504 -68.0141 202.503 -255.215 GPRESSURE: 3994400 -57.0094 -151.714 -73.3736 -214.073 -284.203 215.283 -11.7657 256.319 -198.84 PRESSAVG: 3994400 10.9503 -5.31208 -33.3133 -5.31212 -38.8639 -31.6304 -33.3133 -31.6304 -13.4266 GPRESSAVG: 3994400 11.0119 -6.60531 -32.2325 -2.1686 -38.1491 -32.3268 -32.0025 -29.6645 -14.2302 TIMING: 3994400 CPU: 12945.1, 0.00312991/step Wall: 12945.1, 0.00312991/step, 0.874289 hours remaining, 235.457031 MB of memory in use. ENERGY: 3994400 4027.8004 20577.5355 14493.6040 263.7662 -202911.4183 2403.5787 0.0000 0.0000 51599.3728 -109545.7607 296.5423 -161145.1334 -109202.1384 299.0355 -215.8719 -180.0175 761957.5766 -13.7801 -13.7891 PRESSURE: 3994600 28.709 -34.8693 -49.055 -34.8699 -155.654 69.0772 -49.0548 69.0769 -201.986 GPRESSURE: 3994600 124.703 117.866 -86.7025 75.9065 -110.424 87.6223 201.873 84.5359 -243.914 PRESSAVG: 3994600 14.609 12.0122 -0.766533 12.0122 -75.0398 6.89251 -0.766569 6.89243 12.2648 GPRESSAVG: 3994600 14.5455 13.7781 0.0602508 9.74404 -74.0285 6.90401 -1.24422 6.35353 11.4245 TIMING: 3994600 CPU: 12945.7, 0.00312367/step Wall: 12945.7, 0.00312367/step, 0.872372 hours remaining, 235.457031 MB of memory in use. ENERGY: 3994600 4045.2996 20433.9300 14445.9471 247.8013 -203280.2453 2510.9101 0.0000 0.0000 51902.5581 -109693.7992 298.2847 -161596.3573 -109340.0176 298.6641 -109.6436 -76.5448 761193.7368 -16.0553 -16.0195 PRESSURE: 3994800 2.77019 135.801 -172.516 135.8 -228.806 24.4388 -172.515 24.4393 -235.297 GPRESSURE: 3994800 -18.4068 166.299 -184.659 -13.7944 -203.126 -26.2185 -108.128 128.049 -166.74 PRESSAVG: 3994800 82.6715 17.6092 26.3034 17.6092 3.45638 -23.6372 26.3034 -23.6373 -17.6885 GPRESSAVG: 3994800 82.4004 17.2121 25.6719 16.7653 3.01045 -23.1515 29.1067 -22.4843 -17.1974 TIMING: 3994800 CPU: 12946.4, 0.00313235/step Wall: 12946.4, 0.00313235/step, 0.874622 hours remaining, 235.457031 MB of memory in use. ENERGY: 3994800 3951.4118 20583.6192 14445.5183 248.3936 -203341.2049 2483.2695 0.0000 0.0000 51974.3685 -109654.6241 298.6974 -161628.9926 -109283.2582 298.6459 -153.7774 -129.4243 762204.0249 22.8131 22.7378 PRESSURE: 3995000 -174.371 -84.3116 125.543 -84.3111 -271.027 -111.113 125.543 -111.113 -5.25262 GPRESSURE: 3995000 -144.035 -154.367 58.2305 -55.9483 -196.716 -76.6535 146.652 -28.4011 1.07205 PRESSAVG: 3995000 -59.9373 -34.7535 52.5927 -34.7536 24.1386 15.4475 52.5927 15.4475 14.6376 GPRESSAVG: 3995000 -59.4876 -34.1358 52.6962 -34.5697 23.0466 14.7033 49.7111 14.6273 15.0038 TIMING: 3995000 CPU: 12947, 0.00314432/step Wall: 12947, 0.00314432/step, 0.87779 hours remaining, 235.457031 MB of memory in use. ENERGY: 3995000 3990.4952 20193.9558 14477.4546 262.0573 -203453.1575 2590.3569 0.0000 0.0000 52171.8465 -109766.9912 299.8323 -161938.8376 -109398.1512 299.0850 -150.2168 -113.2261 761756.7063 -7.0537 -7.1457 PRESSURE: 3995200 -382.557 47.9986 16.8109 48 -539.725 -38.0158 16.8109 -38.0158 -101.116 GPRESSURE: 3995200 -411.374 28.6719 -7.7069 -43.6242 -405.909 36.1701 56.6241 -51.512 -105.304 PRESSAVG: 3995200 -49.607 -31.8313 43.6174 -31.8313 60.0344 -20.2148 43.6174 -20.2149 17.9008 GPRESSAVG: 3995200 -50.661 -32.0937 43.0209 -29.4466 61.3579 -19.8875 44.7192 -20.4167 17.9863 TIMING: 3995200 CPU: 12947.6, 0.00314381/step Wall: 12947.6, 0.00314381/step, 0.877474 hours remaining, 235.457031 MB of memory in use. ENERGY: 3995200 3944.0528 20464.7007 14483.5719 262.4012 -203138.9773 2476.2193 0.0000 0.0000 51823.1540 -109684.8774 297.8284 -161508.0314 -109321.8960 298.3426 -341.1326 -307.5290 762485.4535 9.4427 9.5611 PRESSURE: 3995400 -88.842 104.741 155.44 104.741 50.1133 13.7276 155.44 13.728 -24.6909 GPRESSURE: 3995400 -42.3438 69.2219 213.099 29.4037 128.418 34.6407 -43.5753 -17.9725 -65.7534 PRESSAVG: 3995400 -40.0796 11.89 -7.46783 11.89 36.2052 17.8103 -7.46778 17.8103 12.3587 GPRESSAVG: 3995400 -39.2904 11.3469 -5.54443 9.61309 35.386 19.2928 -8.76139 15.1322 12.1517 TIMING: 3995400 CPU: 12948.2, 0.00313919/step Wall: 12948.2, 0.00313919/step, 0.876009 hours remaining, 235.457031 MB of memory in use. ENERGY: 3995400 4028.5336 20432.6459 14380.5463 256.0616 -203789.5391 2794.3666 0.0000 0.0000 52028.3505 -109869.0347 299.0076 -161897.3852 -109505.9146 298.9806 -21.1399 6.7735 760678.4373 2.8281 2.7491 PRESSURE: 3995600 -90.0723 23.6562 262.585 23.6556 -252.935 47.5294 262.585 47.5291 -526.073 GPRESSURE: 3995600 -62.6868 7.01824 175.013 19.718 -320.921 17.7193 135.331 78.0703 -420.489 PRESSAVG: 3995600 54.6346 -13.6215 21.0349 -13.6216 -8.96057 -86.9964 21.0349 -86.9964 4.62171 GPRESSAVG: 3995600 55.4631 -14.4345 19.5992 -11.4723 -9.07826 -88.8774 21.4956 -85.5704 3.58748 TIMING: 3995600 CPU: 12948.9, 0.00313475/step Wall: 12948.9, 0.00313475/step, 0.874596 hours remaining, 235.457031 MB of memory in use. ENERGY: 3995600 4005.5857 20441.7149 14409.3341 258.8018 -203527.2421 2396.1798 0.0000 0.0000 51934.5094 -110081.1164 298.4683 -162015.6258 -109719.1465 297.8413 -289.6934 -268.0324 761183.8117 16.7653 16.6574 PRESSURE: 3995800 -171.05 -344.523 -111.855 -344.521 -410.535 13.7954 -111.854 13.7953 -38.188 GPRESSURE: 3995800 -95.5004 -269.59 -138.904 -214.35 -337.095 73.4359 -40.2899 161.724 -101.865 PRESSAVG: 3995800 3.90291 -39.8947 -5.43449 -39.8947 -23.2972 -14.738 -5.4345 -14.738 -5.4977 GPRESSAVG: 3995800 2.40577 -35.4284 -7.08226 -41.1372 -23.1572 -14.2919 -3.50582 -13.2331 -4.44154 TIMING: 3995800 CPU: 12949.5, 0.00313531/step Wall: 12949.5, 0.00313531/step, 0.874577 hours remaining, 235.468750 MB of memory in use. ENERGY: 3995800 3957.2215 20336.0060 14413.2327 244.7539 -203147.2066 2355.0343 0.0000 0.0000 51964.6886 -109876.2696 298.6418 -161840.9582 -109518.0630 298.3401 -206.5910 -178.1534 761228.1887 -8.2973 -8.3977 PRESSURE: 3996000 -234.47 42.1806 -19.7873 42.1811 -306.527 163.854 -19.7871 163.855 -391.877 GPRESSURE: 3996000 -191.256 88.8255 -34.975 109.924 -208.507 189.629 76.0317 -61.1237 -441.288 PRESSAVG: 3996000 65.1024 -36.6832 0.83505 -36.6833 -8.68883 15.9361 0.835031 15.9361 -15.3767 GPRESSAVG: 3996000 64.5576 -39.1747 4.73016 -35.7867 -8.69982 15.0636 -0.593698 14.1477 -15.0357 TIMING: 3996000 CPU: 12950.1, 0.00312164/step Wall: 12950.1, 0.00312164/step, 0.87059 hours remaining, 235.468750 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: 3996000 3969.8296 20400.1997 14437.2951 234.0077 -202762.7318 2095.5783 0.0000 0.0000 51829.3251 -109796.4963 297.8638 -161625.8214 -109439.3120 298.0503 -310.9577 -280.3503 762189.1846 13.6790 13.6074 PRESSURE: 3996200 -50.0646 -18.4306 160.921 -18.4309 92.0258 123.686 160.919 123.685 -75.7835 GPRESSURE: 3996200 -62.884 -28.6641 75.4908 -49.5579 124.845 96.8075 91.6464 277.375 4.62469 PRESSAVG: 3996200 -25.1599 -34.8078 -23.9386 -34.8078 -8.42559 -1.45607 -23.9386 -1.45606 -7.53791 GPRESSAVG: 3996200 -23.7673 -35.657 -28.1131 -35.1234 -8.29998 -1.96952 -22.0632 -0.799882 -8.96125 TIMING: 3996200 CPU: 12950.8, 0.00314704/step Wall: 12950.8, 0.00314704/step, 0.877498 hours remaining, 235.468750 MB of memory in use. ENERGY: 3996200 3959.2240 20340.9851 14405.8811 235.9653 -203341.7739 2575.9593 0.0000 0.0000 51989.3675 -109834.3915 298.7836 -161823.7590 -109470.6249 298.4478 -11.2741 22.1953 760462.6566 -13.7078 -13.6762 LDB: ============= START OF LOAD BALANCING ============== 12963.2 LDB: ============== END OF LOAD BALANCING =============== 12963.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12963.2 LDB: ============= START OF LOAD BALANCING ============== 12963.5 LDB: Largest compute 7068 load 0.033385 is 17.1% of average load 0.195498 LDB: Average compute 0.004385 is 2.2% of average load 0.195498 LDB: TIME 12963.5 LOAD: AVG 0.195498 MAX 0.217754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12963.5 LOAD: AVG 0.195498 MAX 0.217754 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 12963.5 LOAD: AVG 0.195498 MAX 0.217754 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 12963.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12963.5 PRESSURE: 3996400 -32.4077 -131.157 7.91202 -131.157 114.101 124.193 7.91184 124.193 269.694 GPRESSURE: 3996400 116.193 -174.266 -50.9952 -126.506 40.5611 53.7323 -73.1546 134.454 293.107 PRESSAVG: 3996400 -4.40112 -14.2749 6.62736 -14.2749 51.4189 -64.6994 6.62732 -64.6994 6.34358 GPRESSAVG: 3996400 -4.77006 -14.7834 6.38263 -14.4436 51.1086 -62.7413 5.73372 -65.5958 7.20014 TIMING: 3996400 CPU: 12951.4, 0.00320692/step Wall: 12951.4, 0.00320692/step, 0.894019 hours remaining, 235.960938 MB of memory in use. ENERGY: 3996400 3936.5987 20384.3008 14448.8488 250.4707 -203342.9160 2502.4924 0.0000 0.0000 52095.1719 -109725.0327 299.3917 -161820.2046 -109366.3084 298.6688 117.1291 149.9538 760252.8041 17.7871 17.8462 PRESSURE: 3996600 -13.0852 107.407 -121.075 107.407 34.8758 -195.064 -121.075 -195.064 -70.6009 GPRESSURE: 3996600 38.4558 96.9019 -145.439 55.3481 52.9411 -108.995 -54.7713 -184.77 -40.2779 PRESSAVG: 3996600 -4.74374 5.91828 2.72296 5.91821 53.5353 -41.5486 2.72294 -41.5486 -6.88093 GPRESSAVG: 3996600 -4.45911 9.10555 6.10301 3.24559 54.9106 -42.0374 0.345085 -41.2356 -8.31664 TIMING: 3996600 CPU: 12952, 0.00310738/step Wall: 12952, 0.00310739/step, 0.866097 hours remaining, 236.492188 MB of memory in use. ENERGY: 3996600 4013.7988 20272.4396 14397.6726 242.7681 -203237.6019 2584.8751 0.0000 0.0000 52235.6825 -109490.3652 300.1992 -161726.0477 -109122.0768 299.0383 -16.2701 17.0397 761212.1537 13.9702 14.0449 PRESSURE: 3996800 -54.3972 -95.6274 159.678 -95.6272 -526.75 -76.0466 159.678 -76.047 -284.917 GPRESSURE: 3996800 -30.8742 -103.515 150.411 -151.18 -451.573 -161.351 166.125 -18.3826 -292.314 PRESSAVG: 3996800 8.58087 -49.6208 -22.1369 -49.6208 26.1833 -41.8353 -22.1369 -41.8352 -2.31882 GPRESSAVG: 3996800 8.59345 -51.5207 -23.6982 -48.1844 25.2765 -40.4667 -21.3985 -42.509 -1.16118 TIMING: 3996800 CPU: 12952.6, 0.00310927/step Wall: 12952.6, 0.00310927/step, 0.86645 hours remaining, 236.691406 MB of memory in use. ENERGY: 3996800 3930.1536 20329.5709 14474.8194 252.3244 -202723.7683 2141.0830 0.0000 0.0000 52099.5095 -109496.3074 299.4166 -161595.8170 -109132.6926 299.5077 -288.6881 -258.2535 761119.4879 10.8151 10.9029 PRESSURE: 3997000 -208.431 186.954 44.0677 186.954 227.896 252.567 44.0685 252.565 -252.359 GPRESSURE: 3997000 -200.451 122.331 103.145 133.949 207.242 204.197 35.5093 208.225 -172.512 PRESSAVG: 3997000 50.9116 9.07441 -6.74852 9.07437 -55.8677 -58.055 -6.74846 -58.055 10.4959 GPRESSAVG: 3997000 51.8506 9.9709 -4.47903 9.63276 -55.4761 -59.4354 -5.6057 -56.5759 9.35787 TIMING: 3997000 CPU: 12953.3, 0.00312677/step Wall: 12953.3, 0.00312677/step, 0.871152 hours remaining, 236.691406 MB of memory in use. ENERGY: 3997000 4017.9522 20358.0297 14407.6521 249.3109 -203167.6432 2467.4836 0.0000 0.0000 52335.6213 -109331.5935 300.7735 -161667.2148 -108969.8558 299.4930 -77.6316 -55.2401 762383.9762 1.8466 1.9108 PRESSURE: 3997200 81.9107 167.568 20.3069 167.568 136.927 121.893 20.3075 121.893 -199.736 GPRESSURE: 3997200 154.082 242.481 -27.6122 134.798 99.512 53.2283 66.7504 151.397 -125.017 PRESSAVG: 3997200 0.182347 -7.33467 -14.5103 -7.3347 -5.71831 -35.6116 -14.5102 -35.6117 4.63365 GPRESSAVG: 3997200 0.258387 -7.92065 -16.3712 -6.49731 -7.18615 -36.1398 -17.3762 -34.6273 5.51608 TIMING: 3997200 CPU: 12953.9, 0.00312235/step Wall: 12953.9, 0.00312235/step, 0.869747 hours remaining, 236.691406 MB of memory in use. ENERGY: 3997200 3927.7801 20483.5179 14446.6587 245.1854 -202971.5145 2483.2469 0.0000 0.0000 51766.2661 -109618.8594 297.5014 -161385.1255 -109264.2351 299.2971 6.3672 42.8589 761044.2719 -0.3008 -0.4706 PRESSURE: 3997400 -380.075 -0.336701 125.358 -0.336848 348.721 -86.1093 125.357 -86.1093 220.744 GPRESSURE: 3997400 -219.408 -129.275 124.959 25.9503 285.913 -48.2603 143.699 -179.722 231.472 PRESSAVG: 3997400 -3.96343 19.5988 50.7066 19.5988 34.1468 -28.3244 50.7066 -28.3244 5.77168 GPRESSAVG: 3997400 -3.37327 19.9004 49.9341 18.376 32.7559 -26.3639 53.0099 -30.8992 6.58765 TIMING: 3997400 CPU: 12954.5, 0.00311564/step Wall: 12954.5, 0.00311564/step, 0.867707 hours remaining, 236.691406 MB of memory in use. ENERGY: 3997400 3996.0033 20353.4604 14414.6191 253.1913 -203373.3324 2675.7097 0.0000 0.0000 52036.2332 -109644.1154 299.0529 -161680.3486 -109283.1499 298.6211 63.1303 99.3254 761704.6593 11.9850 11.9901 PRESSURE: 3997600 -75.8174 114.973 -71.3532 114.973 482.565 -95.4159 -71.3529 -95.416 -66.6709 GPRESSURE: 3997600 -17.2958 214.197 2.56322 178.06 490.542 -103.465 -107.566 -113.012 -41.8772 PRESSAVG: 3997600 3.66478 14.3225 25.332 14.3224 15.8643 -24.3323 25.3319 -24.3323 11.3387 GPRESSAVG: 3997600 1.49294 14.1469 27.8276 15.7711 18.508 -25.5936 25.1724 -23.36 11.2981 TIMING: 3997600 CPU: 12955.1, 0.00311156/step Wall: 12955.1, 0.00311156/step, 0.866397 hours remaining, 236.691406 MB of memory in use. ENERGY: 3997600 3940.9039 20453.1606 14425.8833 263.9973 -203243.9624 2548.8776 0.0000 0.0000 51905.1575 -109705.9822 298.2997 -161611.1397 -109339.5084 298.7087 113.3590 143.7896 761568.7956 10.2893 10.4330 PRESSURE: 3997800 335.124 -152.128 -88.4618 -152.128 -255.823 -333.122 -88.4613 -333.122 -247.12 GPRESSURE: 3997800 292.568 -155.456 -40.5011 -216.472 -121.405 -323.371 -98.631 -101.896 -256.373 PRESSAVG: 3997800 36.8265 4.59457 -18.8346 4.59462 2.59344 -19.984 -18.8346 -19.9841 0.512335 GPRESSAVG: 3997800 38.1883 3.578 -19.7411 5.74983 2.48869 -21.1407 -18.6778 -19.7414 -0.40976 TIMING: 3997800 CPU: 12955.8, 0.00312537/step Wall: 12955.8, 0.00312537/step, 0.870067 hours remaining, 236.691406 MB of memory in use. ENERGY: 3997800 3996.4538 20405.6354 14496.4679 247.7539 -203720.5269 2651.2968 0.0000 0.0000 52034.5396 -109888.3795 299.0432 -161922.9191 -109533.1101 298.3944 -55.9396 -28.4037 760994.0102 13.3108 13.4224 PRESSURE: 3998000 151.467 -35.9808 -44.7462 -35.9807 86.852 449.374 -44.7453 449.373 60.8163 GPRESSURE: 3998000 235.278 -41.0294 -117.167 34.4228 86.0847 406.392 -107.765 279.761 47.1545 PRESSAVG: 3998000 0.889042 25.7191 -10.76 25.7191 31.4319 -51.6441 -10.76 -51.644 -14.4009 GPRESSAVG: 3998000 0.727095 25.8031 -11.2979 24.9608 32.1047 -50.9734 -10.6288 -50.8665 -14.6134 TIMING: 3998000 CPU: 12956.4, 0.0031247/step Wall: 12956.4, 0.0031247/step, 0.869708 hours remaining, 236.691406 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: 3998000 3926.4187 20446.0175 14492.3839 241.9930 -203647.7686 2572.7748 0.0000 0.0000 51965.3385 -110002.8422 298.6455 -161968.1807 -109642.1453 298.6933 99.7118 122.8392 761465.1380 5.9733 6.0728 PRESSURE: 3998200 -36.3961 72.4582 -224.369 72.4579 154.844 60.7619 -224.368 60.7614 -56.8341 GPRESSURE: 3998200 40.7977 55.8983 -246.178 139.596 108.79 53.4098 -36.6697 -37.9123 4.66619 PRESSAVG: 3998200 31.821 10.9489 -28.4209 10.9489 -25.3787 -21.8655 -28.4209 -21.8656 -6.95657 GPRESSAVG: 3998200 31.4028 13.3526 -28.1604 10.0995 -25.1843 -20.8599 -27.927 -25.3374 -6.39024 TIMING: 3998200 CPU: 12957, 0.00311859/step Wall: 12957, 0.00311859/step, 0.867833 hours remaining, 236.691406 MB of memory in use. ENERGY: 3998200 3978.2254 20380.5859 14450.7756 243.1198 -203628.9179 2798.2754 0.0000 0.0000 52021.4563 -109756.4794 298.9680 -161777.9357 -109395.4138 298.4049 20.5378 51.4181 761486.1326 -0.1714 -0.0572 PRESSURE: 3998400 111.505 -16.3781 -94.7469 -16.3783 -45.4249 -161.309 -94.7467 -161.309 154.745 GPRESSURE: 3998400 148.864 -107.047 -125.279 -47.7019 -40.3825 -251.264 -276.788 4.07732 198.717 PRESSAVG: 3998400 -32.6892 14.5186 14.3129 14.5186 38.3839 2.01449 14.3129 2.01445 9.86696 GPRESSAVG: 3998400 -31.7391 12.0508 14.5303 14.2598 37.0274 0.968986 13.1511 4.75174 10.1679 TIMING: 3998400 CPU: 12957.6, 0.00312469/step Wall: 12957.6, 0.00312469/step, 0.869358 hours remaining, 236.691406 MB of memory in use. ENERGY: 3998400 3870.2568 20546.0080 14433.2073 253.8742 -203747.3473 2944.6246 0.0000 0.0000 52003.9327 -109695.4436 298.8673 -161699.3764 -109339.6094 298.7409 73.6084 102.3997 763133.4067 5.1872 5.1521 PRESSURE: 3998600 -41.5874 -61.3781 174.272 -61.3779 -55.4825 57.6774 174.271 57.6756 480.132 GPRESSURE: 3998600 71.5853 22.89 174.836 -77.7704 -79.8457 86.8689 241.059 -8.05625 469.669 PRESSAVG: 3998600 -17.9011 -34.4772 23.4016 -34.4772 3.32477 -46.1424 23.4016 -46.1424 7.65346 GPRESSAVG: 3998600 -18.2756 -34.9953 22.8229 -34.7807 4.03774 -44.7737 23.389 -48.0588 7.19915 TIMING: 3998600 CPU: 12958.3, 0.003149/step Wall: 12958.3, 0.003149/step, 0.875947 hours remaining, 236.691406 MB of memory in use. ENERGY: 3998600 3918.2379 20477.3366 14427.6328 261.0584 -203132.4374 2464.2740 0.0000 0.0000 51961.3764 -109622.5214 298.6227 -161583.8977 -109260.7165 298.8571 127.6873 153.8028 763484.1937 -2.3076 -2.3462 PRESSURE: 3998800 5.01164 -140.072 -156.823 -140.073 -112.636 19.5001 -156.823 19.4995 -144.803 GPRESSURE: 3998800 43.4309 -136.346 -132.834 6.22686 -76.766 20.1428 -122.323 12.2207 -129.803 PRESSAVG: 3998800 10.7158 -1.50324 -21.1773 -1.50324 -59.7646 -11.5636 -21.1771 -11.5636 0.713443 GPRESSAVG: 3998800 10.6262 -2.11417 -21.648 -0.170868 -60.1142 -12.1233 -19.5409 -10.8889 1.30239 TIMING: 3998800 CPU: 12958.9, 0.00314061/step Wall: 12958.9, 0.00314061/step, 0.873439 hours remaining, 236.691406 MB of memory in use. ENERGY: 3998800 3947.8886 20428.0772 14487.4242 220.6931 -203588.5377 2682.9507 0.0000 0.0000 51888.3638 -109933.1402 298.2031 -161821.5040 -109568.0188 299.0227 -84.1422 -54.3795 762574.5105 -16.1118 -16.0618 PRESSURE: 3999000 88.9651 -231.571 -114.725 -231.57 -281.152 109.62 -114.725 109.62 -314.404 GPRESSURE: 3999000 89.3617 -210.81 -129.407 -174.875 -213.845 41.5828 -90.6126 137.033 -282.884 PRESSAVG: 3999000 19.0964 -10.9488 -40.0529 -10.9488 -65.3702 -1.7558 -40.0529 -1.75589 -17.6777 GPRESSAVG: 3999000 18.8595 -10.2643 -39.9527 -11.9665 -65.3306 -2.79504 -39.8988 -2.197 -16.9886 TIMING: 3999000 CPU: 12959.5, 0.00311783/step Wall: 12959.5, 0.00311783/step, 0.866929 hours remaining, 236.691406 MB of memory in use. ENERGY: 3999000 3977.8799 20534.9202 14418.1858 236.9099 -203220.9007 2268.2512 0.0000 0.0000 51816.7555 -109967.9982 297.7916 -161784.7537 -109608.4665 298.4075 -168.8637 -135.7891 762443.4740 -21.3172 -21.1532 PRESSURE: 3999200 314.368 287.678 10.1212 287.677 -135.607 -185.502 10.1214 -185.501 184.386 GPRESSURE: 3999200 299.373 235.081 -46.6108 103.218 -114.446 -240.089 47.1752 -40.7688 258.273 PRESSAVG: 3999200 71.974 9.23641 5.72615 9.23641 -51.3153 -7.49104 5.72616 -7.49094 37.7138 GPRESSAVG: 3999200 73.1044 8.08209 7.72909 9.31144 -51.7193 -6.01074 4.2579 -8.0651 36.9526 TIMING: 3999200 CPU: 12960.1, 0.00313359/step Wall: 12960.1, 0.00313359/step, 0.871139 hours remaining, 236.761719 MB of memory in use. ENERGY: 3999200 4019.3278 20417.7937 14426.5896 265.2018 -204327.6692 3042.1263 0.0000 0.0000 52052.1873 -110104.4428 299.1446 -162156.6300 -109740.5854 298.3370 121.0491 147.7334 759535.0580 19.4575 19.4459 PRESSURE: 3999400 -188.588 -126.841 -10.7786 -126.841 -95.9532 13.2345 -10.7784 13.2348 -105.403 GPRESSURE: 3999400 -228.544 15.7431 -31.3458 -57.3962 -0.201532 38.2709 -173.493 -13.0261 -80.1284 PRESSAVG: 3999400 64.2309 10.9817 42.3234 10.9818 -65.2139 -23.5496 42.3233 -23.5496 12.2903 GPRESSAVG: 3999400 62.2169 11.8753 41.4288 11.5583 -63.6505 -23.6798 42.5674 -20.4337 12.3166 TIMING: 3999400 CPU: 12960.8, 0.00311791/step Wall: 12960.8, 0.00311791/step, 0.866606 hours remaining, 236.761719 MB of memory in use. ENERGY: 3999400 4113.3515 20530.9527 14389.7286 250.7582 -204335.7402 2964.2237 0.0000 0.0000 52066.9519 -110019.7736 299.2295 -162086.7255 -109667.7400 298.3730 -129.9813 -102.9580 761233.5597 3.7691 3.6277 PRESSURE: 3999600 193.569 -21.8248 194.144 -21.8248 264.239 131.306 194.144 131.306 346.666 GPRESSURE: 3999600 190.931 28.6831 170.715 -59.753 392.304 75.7554 253.655 162.578 309.687 PRESSAVG: 3999600 48.2857 34.5044 30.2338 34.5044 -61.2137 -60.3039 30.2338 -60.3039 14.9294 GPRESSAVG: 3999600 48.9611 33.8212 28.7365 34.3294 -60.9993 -60.9453 31.3019 -60.9643 13.9481 TIMING: 3999600 CPU: 12961.4, 0.00311097/step Wall: 12961.4, 0.00311097/step, 0.864505 hours remaining, 236.761719 MB of memory in use. ENERGY: 3999600 4080.3306 20498.7764 14442.7161 249.3189 -203866.7325 2714.9992 0.0000 0.0000 52169.4185 -109711.1729 299.8184 -161880.5914 -109342.9008 299.2208 268.1581 297.6407 760412.5632 0.6671 0.6366 PRESSURE: 3999800 -62.1884 116.868 21.4902 116.869 -11.9092 -104.843 21.4906 -104.844 77.7767 GPRESSURE: 3999800 37.7109 101.576 7.03224 45.3254 0.849058 -121.032 76.6338 -159.158 49.2401 PRESSAVG: 3999800 19.0475 14.1699 15.5665 14.17 -9.7867 -63.2422 15.5664 -63.2421 1.72596 GPRESSAVG: 3999800 18.6084 14.9984 16.1576 14.2696 -10.3642 -62.9659 15.9799 -64.0901 2.94348 TIMING: 3999800 CPU: 12962, 0.00311743/step Wall: 12962, 0.00311743/step, 0.866127 hours remaining, 236.761719 MB of memory in use. ENERGY: 3999800 4065.0175 20553.5020 14432.6576 241.9523 -203773.4048 2914.6893 0.0000 0.0000 52181.9482 -109383.6379 299.8904 -161565.5861 -109024.4167 299.3055 1.2264 29.2667 762047.9831 3.6623 3.7292 PRESSURE: 4000000 -81.3976 -198.917 -271.853 -198.917 -16.4201 -174.088 -271.853 -174.087 -123.669 GPRESSURE: 4000000 -55.3826 -138.306 -289.438 -159.462 -4.74446 -197.184 -292.274 -79.5268 -56.0069 PRESSAVG: 4000000 -8.77197 5.24065 44.9076 5.24065 0.0856804 -29.9881 44.9076 -29.9881 -1.34048 GPRESSAVG: 4000000 -9.19123 5.87057 43.9587 4.19746 -0.339638 -32.5339 44.1999 -29.2038 -1.00945 TIMING: 4000000 CPU: 12962.6, 0.00313745/step Wall: 12962.6, 0.00313745/step, 0.871515 hours remaining, 236.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000000 3968.1831 20498.2974 14428.9335 272.9396 -203227.7990 2504.3681 0.0000 0.0000 52049.9916 -109505.0857 299.1320 -161555.0773 -109137.2415 299.7395 -73.8289 -38.7113 760983.9726 -3.3423 -3.5134 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.4.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 -229.369 -7.8079 -72.9222 -7.80754 -464.42 -213.48 -72.9214 -213.481 50.1917 GPRESSURE: 4000200 -249.71 -78.6033 -96.2287 -7.75158 -332.102 -229.385 -13.9911 -65.7133 39.8759 PRESSAVG: 4000200 23.3549 -19.6884 57.2727 -19.6883 38.7815 3.12595 57.2727 3.12594 9.9347 GPRESSAVG: 4000200 22.9924 -22.0708 57.3891 -18.1266 40.159 4.93751 58.009 2.70551 8.51169 TIMING: 4000200 CPU: 12964.1, 0.00756885/step Wall: 12964.1, 0.00756885/step, 2.10204 hours remaining, 236.761719 MB of memory in use. ENERGY: 4000200 3989.3169 20611.2494 14450.9727 258.9594 -203273.1105 2483.9351 0.0000 0.0000 51938.9471 -109539.7299 298.4938 -161478.6770 -109170.4919 299.1759 -214.5325 -180.6455 761343.7502 24.0237 23.8877 LDB: ============= START OF LOAD BALANCING ============== 12976.6 LDB: ============== END OF LOAD BALANCING =============== 12976.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12976.6 LDB: ============= START OF LOAD BALANCING ============== 12976.9 LDB: Largest compute 7068 load 0.034077 is 17.4% of average load 0.195667 LDB: Average compute 0.004384 is 2.2% of average load 0.195667 LDB: TIME 12976.9 LOAD: AVG 0.195667 MAX 0.21518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.559 MB LDB: TIME 12976.9 LOAD: AVG 0.195667 MAX 0.21518 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: TIME 12976.9 LOAD: AVG 0.195667 MAX 0.21518 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: ============== END OF LOAD BALANCING =============== 12976.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12976.9 PRESSURE: 4000400 40.2304 -104.518 -21.1385 -104.518 -116.616 -36.6251 -21.1376 -36.6252 -466.902 GPRESSURE: 4000400 35.4399 -85.2541 -73.949 -202.826 -164.654 21.9083 -9.45012 -136.164 -339.917 PRESSAVG: 4000400 8.57331 25.1005 28.6303 25.1005 -37.151 -9.76289 28.6303 -9.76287 7.46074 GPRESSAVG: 4000400 8.37596 27.1684 28.5218 22.2615 -37.5836 -9.71014 27.7511 -10.9676 8.20274 TIMING: 4000400 CPU: 12964.8, 0.00320328/step Wall: 12964.8, 0.00320328/step, 0.889444 hours remaining, 235.394531 MB of memory in use. ENERGY: 4000400 4028.5434 20725.9242 14446.6186 239.6841 -203847.6229 2892.8266 0.0000 0.0000 52017.9925 -109496.0335 298.9481 -161514.0260 -109138.9044 299.6096 -181.0958 -156.3771 764355.5910 -7.0390 -7.0016 PRESSURE: 4000600 212.641 173.827 59.8296 173.827 245.438 -112.513 59.8295 -112.512 241.795 GPRESSURE: 4000600 245.463 83.8202 93.9276 214.992 282.553 -85.886 -44.1524 54.5883 257.265 PRESSAVG: 4000600 -51.6319 29.6042 72.0768 29.6042 4.71186 37.4433 72.0768 37.4432 3.62962 GPRESSAVG: 4000600 -49.8754 29.775 72.6941 32.1783 2.81263 37.4496 73.5866 37.1873 3.71328 TIMING: 4000600 CPU: 12965.4, 0.00312697/step Wall: 12965.4, 0.00312697/step, 0.868081 hours remaining, 235.464844 MB of memory in use. ENERGY: 4000600 3925.9637 20594.6482 14484.5700 258.2382 -203617.4387 2829.8650 0.0000 0.0000 51914.5377 -109609.6159 298.3536 -161524.1536 -109236.8845 299.2311 233.2915 261.7603 762977.0098 -14.4302 -14.4498 PRESSURE: 4000800 -54.7371 -8.9934 -271.453 -8.99213 -159.745 10.1287 -271.453 10.1281 -1.31178 GPRESSURE: 4000800 13.0832 34.1321 -328.925 23.6688 -104.002 -6.66259 -206.79 77.3026 -27.8425 PRESSAVG: 4000800 1.46802 1.16966 -4.78072 1.1697 -9.41214 -15.7763 -4.78078 -15.7764 5.06361 GPRESSAVG: 4000800 0.79658 2.46817 -3.47425 0.0929296 -8.62979 -16.8688 -7.85554 -14.497 4.5641 TIMING: 4000800 CPU: 12966, 0.00313276/step Wall: 12966, 0.00313276/step, 0.869514 hours remaining, 235.464844 MB of memory in use. ENERGY: 4000800 3936.2426 20516.4283 14431.8250 250.2830 -203410.3363 2591.5055 0.0000 0.0000 52110.5580 -109573.4940 299.4801 -161684.0520 -109204.9277 298.9347 -71.9312 -39.5872 763663.4270 -0.9602 -1.0897 PRESSURE: 4001000 -324.357 33.9477 47.5386 33.948 37.9393 70.3903 47.5381 70.389 -311.767 GPRESSURE: 4001000 -304.6 34.9151 -0.788636 57.7435 80.1396 41.6316 0.779392 47.7782 -281.657 PRESSAVG: 4001000 16.7375 -22.5914 20.7758 -22.5914 -3.00171 -10.1671 20.7758 -10.167 31.0753 GPRESSAVG: 4001000 16.1041 -22.5154 19.1444 -21.2549 -3.84156 -9.34209 23.672 -8.54027 32.0897 TIMING: 4001000 CPU: 12966.7, 0.00313345/step Wall: 12966.7, 0.00313345/step, 0.869532 hours remaining, 235.464844 MB of memory in use. ENERGY: 4001000 4072.9076 20371.7547 14476.0667 248.7612 -203377.1458 2823.8793 0.0000 0.0000 51772.8645 -109610.9118 297.5394 -161383.7763 -109247.7733 299.0890 -199.3950 -168.7057 762746.6152 14.9370 14.7841 PRESSURE: 4001200 67.7609 -31.5143 221.709 -31.5141 35.5798 -137.782 221.71 -137.783 -41.4267 GPRESSURE: 4001200 44.6654 -83.8491 229.711 -80.0816 98.2039 -170.959 30.3943 -104.802 -11.1136 PRESSAVG: 4001200 26.98 -46.9645 -8.9821 -46.9645 37.1746 -29.7048 -8.98204 -29.7047 15.8667 GPRESSAVG: 4001200 26.4751 -47.2647 -8.93839 -48.7197 37.0993 -29.375 -12.0069 -31.043 16.1191 TIMING: 4001200 CPU: 12967.3, 0.0031242/step Wall: 12967.3, 0.0031242/step, 0.866792 hours remaining, 235.667969 MB of memory in use. ENERGY: 4001200 3928.3712 20408.3536 14546.0705 251.3275 -203644.5599 2707.4151 0.0000 0.0000 52006.6142 -109796.4078 298.8827 -161803.0221 -109428.5599 298.8449 20.6380 43.9186 761312.9136 26.6737 26.5645 PRESSURE: 4001400 39.2805 55.2555 108.617 55.2553 29.9843 -42.3185 108.616 -42.3191 -139.112 GPRESSURE: 4001400 92.0547 72.3408 22.6583 145.595 92.7397 -27.2194 108.849 22.6995 -175.525 PRESSAVG: 4001400 -8.16346 6.10727 19.8723 6.10725 -3.31604 -46.5697 19.8723 -46.5697 28.6811 GPRESSAVG: 4001400 -7.5952 6.77545 19.961 4.50739 -2.15564 -46.2692 20.5083 -47.6566 27.2181 TIMING: 4001400 CPU: 12967.9, 0.00312612/step Wall: 12967.9, 0.00312612/step, 0.867151 hours remaining, 235.738281 MB of memory in use. ENERGY: 4001400 3981.8307 20544.7637 14486.8884 251.1412 -203814.8482 2629.5730 0.0000 0.0000 52132.5177 -109788.1335 299.6063 -161920.6512 -109425.3801 298.9537 -23.2825 3.0897 760192.3955 5.7339 5.8224 PRESSURE: 4001600 -58.1223 -48.8462 -129.745 -48.8457 180.532 -173.838 -129.745 -173.838 102.593 GPRESSURE: 4001600 -57.8678 -29.3623 -138.916 14.3287 190.586 -162.409 -28.2909 -119.532 151.525 PRESSAVG: 4001600 6.65655 -31.0306 1.66826 -31.0305 -7.37896 -44.1768 1.66819 -44.1768 9.2771 GPRESSAVG: 4001600 7.40817 -30.6928 2.81372 -28.5285 -8.83728 -45.6805 2.94012 -43.2985 9.79592 TIMING: 4001600 CPU: 12968.5, 0.00313371/step Wall: 12968.5, 0.00313371/step, 0.869083 hours remaining, 235.738281 MB of memory in use. ENERGY: 4001600 4008.5980 20544.2899 14463.2917 253.3408 -204010.3474 3027.4285 0.0000 0.0000 51954.7158 -109758.6825 298.5845 -161713.3983 -109404.6550 298.4353 75.0008 94.7479 761645.3488 2.8516 2.7889 PRESSURE: 4001800 -148.617 -28.9221 189.604 -28.922 -265.236 -45.3704 189.604 -45.3705 -120.774 GPRESSURE: 4001800 -113.205 14.2961 160.92 -87.7073 -219.629 -116.342 181.886 63.6859 -101.378 PRESSAVG: 4001800 8.47399 -40.3669 26.8353 -40.3669 -41.6388 36.8629 26.8353 36.8629 -17.3544 GPRESSAVG: 4001800 7.75321 -41.0073 26.3678 -39.5491 -40.4004 37.8101 25.0911 37.8107 -17.9776 TIMING: 4001800 CPU: 12969.2, 0.00311861/step Wall: 12969.2, 0.00311861/step, 0.864723 hours remaining, 235.738281 MB of memory in use. ENERGY: 4001800 4053.5384 20439.6882 14509.2222 239.4034 -203081.0622 2409.9652 0.0000 0.0000 51869.3459 -109559.8988 298.0938 -161429.2448 -109201.3162 298.3396 -178.2089 -144.7375 763453.2420 -16.8397 -16.8749 PRESSURE: 4002000 174.853 -97.1375 -68.1254 -97.137 -47.2746 -63.3251 -68.1252 -63.326 -34.9193 GPRESSURE: 4002000 202.474 -102.482 -71.9688 -196.512 -31.8583 -69.568 -21.6645 -111.522 -6.52767 PRESSAVG: 4002000 90.1998 -28.1079 15.1961 -28.1079 -79.2832 2.82191 15.1962 2.82186 8.6585 GPRESSAVG: 4002000 89.8677 -28.4434 14.4711 -29.8064 -79.841 2.22217 16.9473 1.7605 8.65361 TIMING: 4002000 CPU: 12969.8, 0.00313035/step Wall: 12969.8, 0.00313035/step, 0.867804 hours remaining, 235.738281 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: 4002000 3991.0851 20463.4610 14470.7293 242.8782 -203629.2286 2797.2853 0.0000 0.0000 51826.4295 -109837.3602 297.8472 -161663.7896 -109474.4489 298.2061 30.8863 54.6962 761447.2345 6.5251 6.2267 PRESSURE: 4002200 -96.2267 -196.292 134.615 -196.291 -126.65 124.829 134.614 124.829 -43.7857 GPRESSURE: 4002200 -43.2637 -155.051 121.767 -196.4 -87.872 72.3518 98.3981 183.116 -67.4927 PRESSAVG: 4002200 55.0441 -52.1983 15.387 -52.1983 -18.1953 -45.328 15.387 -45.328 -11.9122 GPRESSAVG: 4002200 55.1537 -50.9972 16.0709 -52.8273 -18.021 -45.556 15.8586 -45.7704 -12.7689 TIMING: 4002200 CPU: 12970.4, 0.00313665/step Wall: 12970.4, 0.00313665/step, 0.869374 hours remaining, 235.738281 MB of memory in use. ENERGY: 4002200 4023.1491 20618.5839 14450.3903 251.4859 -203489.3993 2473.4186 0.0000 0.0000 51787.8550 -109884.5165 297.6255 -161672.3715 -109526.3488 298.2470 -88.8873 -66.2095 762366.3051 8.3122 8.1213 PRESSURE: 4002400 266.856 -72.6026 -61.3114 -72.6011 369.146 159.615 -61.3117 159.616 -10.2162 GPRESSURE: 4002400 343.183 -10.4742 -89.4703 49.382 347.943 135.253 34.2147 67.8901 27.0006 PRESSAVG: 4002400 -62.0727 -68.1717 19.5168 -68.1717 13.6211 11.4089 19.5168 11.4089 -14.6334 GPRESSAVG: 4002400 -62.456 -67.1184 19.2192 -67.796 12.5412 12.7081 18.7947 10.1025 -13.3961 TIMING: 4002400 CPU: 12971.1, 0.00315216/step Wall: 12971.1, 0.00315216/step, 0.8735 hours remaining, 235.738281 MB of memory in use. ENERGY: 4002400 4010.3325 20457.0583 14393.6514 243.0357 -203476.8816 2643.8776 0.0000 0.0000 52006.3395 -109722.5867 298.8811 -161728.9262 -109363.6133 298.5104 208.5953 239.3755 760900.9123 -21.0283 -21.1036 PRESSURE: 4002600 -294.689 129.705 52.2292 129.705 -166.422 -139.232 52.2298 -139.233 122.482 GPRESSURE: 4002600 -266.97 -9.44339 60.9559 72.5449 -105.751 -96.873 29.11 -108.167 116.106 PRESSAVG: 4002600 37.8974 -29.2631 8.82087 -29.2631 -19.1404 -58.8716 8.82086 -58.8717 9.38975 GPRESSAVG: 4002600 38.9246 -30.6816 8.536 -29.5473 -18.4803 -60.1927 9.67114 -54.0689 7.98171 TIMING: 4002600 CPU: 12971.7, 0.00313394/step Wall: 12971.7, 0.00313394/step, 0.868277 hours remaining, 235.738281 MB of memory in use. ENERGY: 4002600 4013.4674 20408.3379 14383.9132 245.4240 -203206.4462 2380.5762 0.0000 0.0000 52025.4281 -109749.2996 298.9909 -161774.7276 -109391.4848 298.4709 -112.8763 -85.5384 762244.3846 9.3822 9.4753 PRESSURE: 4002800 -64.0163 -77.3158 -38.211 -77.3156 116.327 -54.453 -38.2117 -54.4537 87.086 GPRESSURE: 4002800 -19.5852 -84.9177 -27.5243 -213.461 73.0861 -54.3027 -47.4251 -77.7414 156.898 PRESSAVG: 4002800 -4.93496 12.6214 -58.2149 12.6214 19.5402 -24.568 -58.2149 -24.568 20.5557 GPRESSAVG: 4002800 -5.4457 11.8971 -57.1719 12.9389 19.8935 -24.5413 -59.327 -27.1016 20.9771 TIMING: 4002800 CPU: 12972.3, 0.00311616/step Wall: 12972.3, 0.00311616/step, 0.863177 hours remaining, 235.738281 MB of memory in use. ENERGY: 4002800 4000.8759 20423.7365 14454.9622 248.5891 -203568.7208 2616.1382 0.0000 0.0000 51824.0922 -110000.3266 297.8338 -161824.4188 -109642.4924 297.9444 46.4654 70.1328 760508.2064 11.7203 11.8083 PRESSURE: 4003000 -98.569 46.1053 190.112 46.1047 3.11794 -104.62 190.112 -104.62 373.943 GPRESSURE: 4003000 14.7734 85.1246 85.3288 62.9825 33.8298 -127.697 143.706 -89.357 310.03 PRESSAVG: 4003000 -0.941365 14.6823 18.8259 14.6823 -11.1837 -36.4498 18.8259 -36.4498 -15.3609 GPRESSAVG: 4003000 -1.52905 16.2105 18.4092 14.38 -10.425 -36.0412 20.2236 -36.5247 -15.9375 TIMING: 4003000 CPU: 12972.9, 0.00312089/step Wall: 12972.9, 0.00312089/step, 0.864314 hours remaining, 235.738281 MB of memory in use. ENERGY: 4003000 3965.0656 20381.6263 14434.3891 249.1720 -203360.3573 2583.1088 0.0000 0.0000 51896.0767 -109850.9188 298.2475 -161746.9955 -109487.9014 297.5897 92.8307 119.5444 762738.5527 -9.1620 -9.2972 PRESSURE: 4003200 -30.17 -81.8886 -133.737 -81.8886 -99.5799 -45.4944 -133.738 -45.4933 -16.4311 GPRESSURE: 4003200 46.6735 -43.52 -133.85 -20.6062 -80.2421 -50.2712 25.9708 -25.7186 -19.3837 PRESSAVG: 4003200 5.12683 -9.02936 15.4839 -9.02938 -16.7898 -14.7434 15.4839 -14.7433 8.70599 GPRESSAVG: 4003200 5.46518 -9.25932 14.2419 -8.04104 -18.6641 -14.9062 13.4556 -15.0127 10.2371 TIMING: 4003200 CPU: 12973.5, 0.0031135/step Wall: 12973.5, 0.0031135/step, 0.862093 hours remaining, 235.738281 MB of memory in use. ENERGY: 4003200 3942.8325 20658.5780 14379.9637 247.7523 -203828.7044 2616.6071 0.0000 0.0000 52040.9450 -109942.0258 299.0800 -161982.9709 -109577.0757 298.2588 -48.7270 -17.6508 761328.2256 -0.9857 -0.9873 PRESSURE: 4003400 26.8912 95.7521 -144.454 95.7532 -149.063 307.157 -144.454 307.158 27.7677 GPRESSURE: 4003400 17.0631 11.0685 -32.4112 57.6077 -3.51093 280.175 -145.335 205.013 -17.1728 PRESSAVG: 4003400 94.6363 31.739 -53.2049 31.739 -95.802 75.2512 -53.2049 75.2512 8.40929 GPRESSAVG: 4003400 94.9424 29.94 -52.8106 31.6178 -94.8106 75.1679 -52.0197 77.2924 7.42337 TIMING: 4003400 CPU: 12974.2, 0.0031235/step Wall: 12974.2, 0.0031235/step, 0.864688 hours remaining, 235.738281 MB of memory in use. ENERGY: 4003400 3961.2643 20463.2304 14498.4438 241.1878 -203664.8434 2759.6784 0.0000 0.0000 52098.9280 -109642.1107 299.4133 -161741.0387 -109284.4673 298.5400 -31.4681 -1.2069 761200.9516 2.4145 2.5184 PRESSURE: 4003600 -194.927 39.3792 43.3549 39.3797 -140.403 99.3686 43.3546 99.3678 210.402 GPRESSURE: 4003600 -219.754 212.198 49.735 45.4421 -88.4962 80.3512 96.1271 31.7889 271.558 PRESSAVG: 4003600 83.6638 2.6059 -39.5268 2.60588 -62.4799 22.2497 -39.5267 22.2496 13.5229 GPRESSAVG: 4003600 83.8992 3.88539 -36.5601 1.67268 -62.1586 23.8816 -40.9041 18.4027 13.2584 TIMING: 4003600 CPU: 12974.8, 0.00312632/step Wall: 12974.8, 0.00312632/step, 0.865297 hours remaining, 235.738281 MB of memory in use. ENERGY: 4003600 3980.2082 20611.3560 14473.0113 218.2342 -203185.9487 2342.9194 0.0000 0.0000 51862.4493 -109697.7702 298.0542 -161560.2196 -109333.9993 299.4032 -41.6423 -12.2308 762022.4694 11.5689 11.6663 PRESSURE: 4003800 -355.355 101.616 -171.614 101.614 -246.783 -77.8386 -171.613 -77.8381 -526.781 GPRESSURE: 4003800 -271.243 9.72129 -103.584 -1.28707 -245.319 -50.0014 -201.535 -71.1106 -507.194 PRESSAVG: 4003800 7.62417 -14.8397 -1.2196 -14.8398 -13.235 -19.6034 -1.21961 -19.6034 4.01594 GPRESSAVG: 4003800 5.03064 -15.779 -4.39263 -15.7069 -11.2525 -21.1396 0.256949 -16.7292 4.29455 TIMING: 4003800 CPU: 12975.4, 0.00313904/step Wall: 12975.4, 0.00313904/step, 0.868642 hours remaining, 235.738281 MB of memory in use. ENERGY: 4003800 4042.9954 20332.0154 14436.3157 234.5056 -203614.0906 2506.9356 0.0000 0.0000 52190.5610 -109870.7618 299.9399 -162061.3228 -109497.5797 298.1668 -376.3063 -341.2518 762283.1412 -0.5316 -0.6425 PRESSURE: 4004000 -22.1683 176.057 -217.439 176.057 -214.028 -123.66 -217.439 -123.661 263.34 GPRESSURE: 4004000 45.021 93.4301 -221.488 194.708 -173.297 -153.029 -151.079 -81.7126 237.443 PRESSAVG: 4004000 -13.0176 -31.5518 -21.2696 -31.5518 0.641933 -52.2475 -21.2695 -52.2475 -2.46581 GPRESSAVG: 4004000 -11.5048 -31.481 -21.6555 -28.7068 -1.63597 -52.338 -19.4735 -52.0741 -2.18872 TIMING: 4004000 CPU: 12976.1, 0.00312534/step Wall: 12976.1, 0.00312534/step, 0.864678 hours remaining, 235.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4004000 3924.0607 20650.4305 14468.9459 259.0844 -203419.8505 2376.4712 0.0000 0.0000 51901.6920 -109839.1659 298.2797 -161740.8578 -109474.8453 298.4869 9.0481 36.3889 760481.3755 -4.9472 -5.1098 PRESSURE: 4004200 -250.755 -217.565 99.305 -217.565 132.791 98.5451 99.3046 98.5442 -191.005 GPRESSURE: 4004200 -183.181 -168.644 96.3769 -122.581 119.362 95.9956 110.404 54.7386 -150.657 PRESSAVG: 4004200 61.6701 -31.3269 -26.987 -31.3269 -39.9288 -74.7393 -26.987 -74.7393 -16.6852 GPRESSAVG: 4004200 60.5164 -28.5954 -26.4083 -33.471 -39.0958 -74.1483 -29.2086 -76.4431 -16.5532 TIMING: 4004200 CPU: 12976.7, 0.00313021/step Wall: 12976.7, 0.00313021/step, 0.86585 hours remaining, 235.738281 MB of memory in use. ENERGY: 4004200 3956.8447 20657.8284 14476.6866 242.4946 -204338.7479 2988.8668 0.0000 0.0000 52184.1472 -109831.8797 299.9030 -162016.0269 -109480.6140 298.9144 -102.9896 -71.4917 760560.9555 1.6854 1.6225 LDB: ============= START OF LOAD BALANCING ============== 12989.1 LDB: ============== END OF LOAD BALANCING =============== 12989.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12989.1 LDB: ============= START OF LOAD BALANCING ============== 12989.4 LDB: Largest compute 7068 load 0.033219 is 17.0% of average load 0.195583 LDB: Average compute 0.004406 is 2.3% of average load 0.195583 LDB: TIME 12989.4 LOAD: AVG 0.195583 MAX 0.213874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.977 MB LDB: TIME 12989.4 LOAD: AVG 0.195583 MAX 0.213874 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: TIME 12989.4 LOAD: AVG 0.195583 MAX 0.213874 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: ============== END OF LOAD BALANCING =============== 12989.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12989.4 PRESSURE: 4004400 -24.4748 22.5816 8.75115 22.5823 -34.9422 -111.604 8.75092 -111.604 -57.7878 GPRESSURE: 4004400 -26.5093 64.0668 7.57436 5.65959 76.8092 -46.6447 47.4464 37.7986 -99.4238 PRESSAVG: 4004400 -72.1774 -12.0918 -55.3213 -12.0918 29.4897 -49.1316 -55.3213 -49.1316 27.9922 GPRESSAVG: 4004400 -70.4921 -14.0761 -53.936 -13.8859 27.8866 -47.5443 -54.6186 -48.3019 28.0393 TIMING: 4004400 CPU: 12977.3, 0.00320406/step Wall: 12977.3, 0.00320406/step, 0.886101 hours remaining, 236.675781 MB of memory in use. ENERGY: 4004400 4026.8220 20437.9285 14457.9340 244.2775 -203419.9811 2266.9990 0.0000 0.0000 52148.4758 -109837.5442 299.6980 -161986.0201 -109462.4081 298.7940 -39.0683 -16.3746 760819.2826 -4.8985 -4.8554 PRESSURE: 4004600 -273.881 0.199806 -26.4355 0.199498 75.4659 79.0556 -26.436 79.0554 182.954 GPRESSURE: 4004600 -152.431 -76.7443 68.4343 -145.763 93.2428 37.7349 -64.9136 20.5668 115.611 PRESSAVG: 4004600 13.4128 -8.65243 -27.9045 -8.65247 18.0031 -44.7563 -27.9044 -44.7563 -19.2212 GPRESSAVG: 4004600 13.8284 -9.54117 -28.1777 -8.64351 16.9109 -45.941 -28.9734 -44.8082 -18.953 TIMING: 4004600 CPU: 12977.9, 0.00313973/step Wall: 12977.9, 0.00313973/step, 0.868135 hours remaining, 236.746094 MB of memory in use. ENERGY: 4004600 4077.9196 20551.9594 14457.6736 226.2205 -203870.1091 2798.7033 0.0000 0.0000 51920.9277 -109836.7050 298.3903 -161757.6327 -109479.4057 298.0950 -5.1537 18.8077 761632.9049 4.0649 3.9288 PRESSURE: 4004800 178.334 -36.2615 -196.792 -36.2621 -96.2979 28.069 -196.792 28.0699 96.3609 GPRESSURE: 4004800 153.692 18.2199 -195.76 -215.424 -57.4888 70.7077 -84.5886 -101.06 148.519 PRESSAVG: 4004800 49.1096 -15.7842 6.31392 -15.7842 -30.1995 -39.5842 6.31401 -39.5843 17.5023 GPRESSAVG: 4004800 48.3887 -14.8993 6.75487 -16.7256 -28.5095 -39.501 6.60686 -37.6096 16.4479 TIMING: 4004800 CPU: 12978.6, 0.00313606/step Wall: 12978.6, 0.00313606/step, 0.866947 hours remaining, 236.746094 MB of memory in use. ENERGY: 4004800 4049.4891 20539.1716 14436.9918 244.7197 -203622.0482 2479.7265 0.0000 0.0000 51855.5113 -110016.4382 298.0143 -161871.9495 -109656.3243 298.3928 59.4658 81.5740 761119.1543 12.1375 12.1090 PRESSURE: 4005000 197.543 23.6209 162.544 23.6207 -154.767 153.286 162.544 153.287 -297.192 GPRESSURE: 4005000 260.163 -57.1518 157.3 -34.9877 -177.176 117.554 261.555 59.8369 -250.157 PRESSAVG: 4005000 45.2711 -35.4045 15.748 -35.4045 -22.9043 -4.79158 15.748 -4.79152 -0.868549 GPRESSAVG: 4005000 45.3392 -37.1525 14.902 -33.2484 -23.65 -6.41757 17.6237 -5.73207 -0.305022 TIMING: 4005000 CPU: 12979.2, 0.00314173/step Wall: 12979.2, 0.00314173/step, 0.868339 hours remaining, 236.871094 MB of memory in use. ENERGY: 4005000 3969.9419 20513.0750 14502.1358 251.6735 -203919.9840 2801.5529 0.0000 0.0000 51893.1494 -109988.4555 298.2306 -161881.6050 -109631.7281 298.2584 -84.8056 -55.7233 759201.6929 7.1661 7.1281 PRESSURE: 4005200 -194.856 -45.9392 -9.57518 -45.9395 118.779 -56.4795 -9.5752 -56.48 78.6043 GPRESSURE: 4005200 -34.0315 -60.3651 5.58022 -52.332 90.8076 23.7664 39.1964 -149.82 36.7677 PRESSAVG: 4005200 17.6071 -21.0044 -38.4607 -21.0044 -7.15751 -55.4711 -38.4608 -55.471 -14.0166 GPRESSAVG: 4005200 18.0355 -20.654 -39.4981 -20.4831 -7.49667 -55.578 -40.0239 -54.0296 -13.9661 TIMING: 4005200 CPU: 12979.8, 0.00312578/step Wall: 12979.8, 0.00312578/step, 0.863756 hours remaining, 236.871094 MB of memory in use. ENERGY: 4005200 3972.9314 20546.1329 14446.3239 232.6118 -203956.8277 2927.4830 0.0000 0.0000 52151.5192 -109679.8255 299.7155 -161831.3447 -109308.6171 298.6385 0.8426 31.1813 759409.5905 -1.1890 -1.1424 PRESSURE: 4005400 95.0198 82.9872 -111.849 82.9868 -81.5463 161.516 -111.848 161.517 -97.2238 GPRESSURE: 4005400 123.758 -103.659 -24.3054 24.626 -31.2458 102.151 -151.884 168.788 -58.4212 PRESSAVG: 4005400 26.9966 9.43032 -12.1764 9.43035 -15.7781 -62.9688 -12.1764 -62.9688 -19.6848 GPRESSAVG: 4005400 27.1311 8.30165 -11.4199 9.18329 -15.7261 -61.5277 -10.5544 -65.4427 -19.6048 TIMING: 4005400 CPU: 12980.4, 0.00310113/step Wall: 12980.4, 0.00310113/step, 0.856773 hours remaining, 236.871094 MB of memory in use. ENERGY: 4005400 3987.5515 20502.0456 14485.4705 247.5701 -203365.4485 2574.8323 0.0000 0.0000 51993.3668 -109574.6116 298.8066 -161567.9784 -109209.6122 298.7061 -27.9167 11.3635 761510.0671 -2.8221 -2.7332 PRESSURE: 4005600 49.2495 -116.625 -282.517 -116.626 -95.2013 -37.3643 -282.517 -37.3634 145.639 GPRESSURE: 4005600 66.9849 -82.984 -227.679 -128.46 -72.3043 46.1598 -302.404 66.1842 198.723 PRESSAVG: 4005600 -9.88885 21.2484 -19.2276 21.2483 -15.6413 -35.7643 -19.2276 -35.7643 -9.4996 GPRESSAVG: 4005600 -11.205 22.6281 -17.8774 19.8953 -14.497 -35.9654 -22.1748 -34.7781 -9.76106 TIMING: 4005600 CPU: 12981.1, 0.00311755/step Wall: 12981.1, 0.00311755/step, 0.861137 hours remaining, 236.871094 MB of memory in use. ENERGY: 4005600 3997.1857 20665.1591 14454.0382 233.7700 -203398.8782 2751.3943 0.0000 0.0000 51811.2265 -109486.1044 297.7598 -161297.3308 -109130.0793 298.4471 33.2289 64.4680 762603.2277 -11.6766 -11.8210 PRESSURE: 4005800 -96.5169 -67.6929 -169.084 -67.6928 130.646 72.3654 -169.084 72.3666 146.527 GPRESSURE: 4005800 -2.23329 -21.058 -120.899 -47.2159 133.309 -45.8594 -174.04 97.8266 126.141 PRESSAVG: 4005800 3.14914 -40.2629 -50.5616 -40.2629 3.41654 18.7408 -50.5616 18.7408 12.0807 GPRESSAVG: 4005800 2.59987 -38.0562 -50.3665 -41.5273 2.88583 17.4811 -51.7511 18.1842 12.7462 TIMING: 4005800 CPU: 12981.7, 0.00312367/step Wall: 12981.7, 0.00312367/step, 0.862653 hours remaining, 236.871094 MB of memory in use. ENERGY: 4005800 3952.3495 20565.7442 14491.7506 237.3598 -203931.1338 3017.0847 0.0000 0.0000 52466.4017 -109200.4435 301.5251 -161666.8452 -108831.0115 299.1399 60.2188 85.7390 763693.7630 6.2155 6.0773 PRESSURE: 4006000 -391.253 53.7348 62.9209 53.735 -185.475 -174.621 62.9214 -174.623 -15.1948 GPRESSURE: 4006000 -318.732 34.5266 101.835 43.5815 -159.972 -188.012 35.0203 -132.351 -36.4684 PRESSAVG: 4006000 3.93341 -38.6961 -37.2482 -38.6961 -14.8813 -38.9236 -37.2481 -38.9236 1.45489 GPRESSAVG: 4006000 5.15219 -39.6011 -37.6833 -38.3433 -16.0908 -36.9831 -36.0419 -40.6566 0.554247 TIMING: 4006000 CPU: 12982.3, 0.00313306/step Wall: 12982.3, 0.00313306/step, 0.865073 hours remaining, 236.871094 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: 4006000 3978.8353 20710.6331 14431.9100 263.2931 -203146.5954 2520.2404 0.0000 0.0000 52117.0640 -109124.6195 299.5175 -161241.6835 -108755.3884 299.4222 -197.3078 -171.7244 763869.3887 -3.1643 -3.4615 PRESSURE: 4006200 -345.686 -48.8385 -25.0746 -48.8389 -26.2243 92.3053 -25.0735 92.3049 -243.556 GPRESSURE: 4006200 -275.462 -29.4887 -16.2601 -3.04153 -45.3143 -39.7808 -68.8125 74.0786 -225.77 PRESSAVG: 4006200 12.372 -35.1541 -32.33 -35.154 -10.5666 -71.7545 -32.3301 -71.7545 24.8933 GPRESSAVG: 4006200 12.0719 -34.24 -34.4112 -36.4321 -9.83472 -72.0859 -31.6824 -72.0091 24.5502 TIMING: 4006200 CPU: 12982.9, 0.00311872/step Wall: 12982.9, 0.00311872/step, 0.860941 hours remaining, 237.070312 MB of memory in use. ENERGY: 4006200 3915.5562 20735.1237 14466.0220 250.8838 -203260.6409 2847.1868 0.0000 0.0000 52127.0821 -108918.7862 299.5751 -161045.8683 -108567.9546 300.0499 -205.1553 -182.1821 764231.4185 8.8996 8.9291 PRESSURE: 4006400 104.559 11.0358 -26.8677 11.0367 16.9794 -24.1553 -26.8679 -24.1541 31.0294 GPRESSURE: 4006400 157.452 -6.54134 -55.0703 -13.7174 0.832898 -19.7185 -124.07 -21.9224 51.6361 PRESSAVG: 4006400 50.6453 -14.2895 19.7862 -14.2895 -46.5162 -18.8422 19.7862 -18.8422 -7.26825 GPRESSAVG: 4006400 49.2872 -16.8487 22.3074 -13.6633 -45.793 -19.6155 19.7304 -17.5018 -6.45337 TIMING: 4006400 CPU: 12983.6, 0.00312788/step Wall: 12983.6, 0.00312788/step, 0.863295 hours remaining, 237.070312 MB of memory in use. ENERGY: 4006400 4063.9414 20667.1766 14524.0253 276.8465 -203075.7007 2673.1104 0.0000 0.0000 52036.2501 -108834.3505 299.0530 -160870.6006 -108458.0044 300.0811 50.8558 69.9736 764372.2488 -1.0464 -0.9864 PRESSURE: 4006600 -154.369 39.8934 78.0187 39.8933 -426.266 77.463 78.0182 77.4645 60.0053 GPRESSURE: 4006600 -177.448 -57.6015 106.836 -46.8195 -348.462 66.1869 -6.0173 19.4097 81.3312 PRESSAVG: 4006600 28.0789 1.07365 -61.5597 1.07363 -18.8989 19.7628 -61.5597 19.7629 -14.7382 GPRESSAVG: 4006600 28.9482 3.36916 -59.3194 -0.131391 -19.4803 20.0848 -62.2418 18.8872 -14.6008 TIMING: 4006600 CPU: 12984.2, 0.00312771/step Wall: 12984.2, 0.00312771/step, 0.863074 hours remaining, 237.070312 MB of memory in use. ENERGY: 4006600 4039.4406 20630.3555 14537.4788 258.6813 -203286.3553 2704.2535 0.0000 0.0000 52099.9293 -109016.2162 299.4190 -161116.1456 -108649.8204 300.1105 -173.5434 -148.1928 765152.6837 -1.8527 -1.7110 PRESSURE: 4006800 113.707 242.813 116.003 242.813 -115.478 -118.184 116.003 -118.184 -275.281 GPRESSURE: 4006800 187.185 154.999 47.8585 188.743 -166.154 -129.598 201.488 -112.036 -213.981 PRESSAVG: 4006800 -21.9235 -15.2364 -23.4814 -15.2364 34.2193 13.5576 -23.4815 13.5577 -8.39847 GPRESSAVG: 4006800 -23.0841 -16.9893 -25.3306 -13.3829 34.1243 13.0754 -23.8657 14.1287 -7.63747 TIMING: 4006800 CPU: 12984.8, 0.00311489/step Wall: 12984.8, 0.00311489/step, 0.859364 hours remaining, 237.070312 MB of memory in use. ENERGY: 4006800 3894.3060 20694.6060 14499.2948 267.0998 -203241.8054 2552.9005 0.0000 0.0000 52109.8403 -109223.7579 299.4760 -161333.5982 -108869.4925 299.5704 -92.3507 -64.3165 763011.7560 1.2991 1.1342 PRESSURE: 4007000 -81.5798 -43.0175 -121.497 -43.0173 -136.18 70.7321 -121.497 70.7321 -392.121 GPRESSURE: 4007000 -33.4801 -37.2053 -143.752 44.5753 -80.5448 134.857 -94.9741 -7.9184 -406.63 PRESSAVG: 4007000 -19.1521 -31.802 -15.2622 -31.802 22.355 -0.520375 -15.2621 -0.520386 2.57293 GPRESSAVG: 4007000 -18.0582 -30.1719 -16.7215 -32.9662 22.7352 0.144739 -14.0151 0.141623 1.01372 TIMING: 4007000 CPU: 12985.4, 0.003128/step Wall: 12985.4, 0.003128/step, 0.862806 hours remaining, 237.070312 MB of memory in use. ENERGY: 4007000 3982.5743 20444.8842 14445.7873 235.2806 -202809.5079 2347.6297 0.0000 0.0000 51981.3657 -109371.9860 298.7376 -161353.3517 -109000.8786 299.2173 -203.2933 -173.5517 762455.5561 1.9253 1.8969 PRESSURE: 4007200 103.47 147.497 -25.7763 147.497 324.78 115.052 -25.7771 115.051 33.5412 GPRESSURE: 4007200 153.825 134.406 -9.79382 193.394 306.253 162.628 -11.2797 -41.9778 63.7227 PRESSAVG: 4007200 -26.3433 -5.25338 -24.4732 -5.25339 -4.55327 -25.8357 -24.4732 -25.8356 -0.487409 GPRESSAVG: 4007200 -26.2871 -5.60383 -25.4515 -4.44388 -4.89841 -24.5999 -24.6818 -26.7924 -0.257893 TIMING: 4007200 CPU: 12986.1, 0.00313129/step Wall: 12986.1, 0.00313129/step, 0.863541 hours remaining, 237.070312 MB of memory in use. ENERGY: 4007200 3976.4994 20379.0881 14397.2118 233.6247 -203462.8512 2828.5308 0.0000 0.0000 52198.8355 -109449.0609 299.9874 -161647.8964 -109077.8187 299.0956 153.9302 174.6002 761511.7598 -10.4613 -10.4811 PRESSURE: 4007400 223.338 59.7805 35.1504 59.7801 347.939 14.0354 35.1506 14.0349 84.8299 GPRESSURE: 4007400 285.565 138.922 32.9207 48.6143 345.829 121.502 82.0727 -96.2305 110.813 PRESSAVG: 4007400 4.95366 8.88678 11.4707 8.88677 -25.8927 16.4472 11.4706 16.4473 10.1766 GPRESSAVG: 4007400 4.89232 9.90112 11.8462 8.33834 -26.6286 15.2186 11.5271 18.1235 10.9563 TIMING: 4007400 CPU: 12986.7, 0.00315087/step Wall: 12986.7, 0.00315087/step, 0.868766 hours remaining, 237.070312 MB of memory in use. ENERGY: 4007400 4004.2053 20495.3968 14450.2952 228.3567 -203205.7709 2617.1475 0.0000 0.0000 51826.4441 -109583.9253 297.8473 -161410.3694 -109229.7209 298.8039 218.7021 247.4024 760296.5967 -3.5875 -3.5933 PRESSURE: 4007600 6.60454 -103.394 -214.582 -103.394 176.662 -393.189 -214.582 -393.19 450.994 GPRESSURE: 4007600 64.4451 -103.576 -211.576 -61.2846 248.74 -384.24 -255.049 -310.649 440.645 PRESSAVG: 4007600 -24.7207 -41.7194 3.72189 -41.7194 57.3387 -38.533 3.72195 -38.533 37.0915 GPRESSAVG: 4007600 -24.5994 -41.7845 3.47482 -42.3075 58.0254 -39.6269 4.54207 -39.696 36.8602 TIMING: 4007600 CPU: 12987.3, 0.00312678/step Wall: 12987.3, 0.00312678/step, 0.861948 hours remaining, 237.070312 MB of memory in use. ENERGY: 4007600 4006.4647 20484.0102 14419.9252 258.6668 -203753.0711 2947.9744 0.0000 0.0000 51967.9217 -109668.1082 298.6604 -161636.0299 -109301.6139 298.9163 211.4200 251.2768 760480.8719 23.2365 23.4287 PRESSURE: 4007800 -156.013 63.12 -64.2314 63.1196 -160.16 101.914 -64.2313 101.915 59.2702 GPRESSURE: 4007800 -57.7279 13.2898 -68.591 32.8047 -226.725 37.3349 -47.1535 110.633 113.968 PRESSAVG: 4007800 58.5488 -50.2726 -53.2183 -50.2726 -60.3843 -0.242352 -53.2183 -0.242421 23.2259 GPRESSAVG: 4007800 58.9744 -49.8256 -53.8152 -50.8753 -61.8391 0.34475 -53.9276 1.50583 23.797 TIMING: 4007800 CPU: 12988, 0.00314278/step Wall: 12988, 0.00314278/step, 0.866185 hours remaining, 237.070312 MB of memory in use. ENERGY: 4007800 3939.3061 20638.2266 14485.0736 254.3938 -203421.6942 2570.8744 0.0000 0.0000 51874.1642 -109659.6556 298.1215 -161533.8198 -109299.7676 298.4613 -85.6341 -56.8282 759801.9418 7.1301 6.9774 PRESSURE: 4008000 201.792 -49.7163 -61.225 -49.7167 122.481 135.643 -61.2246 135.644 213.293 GPRESSURE: 4008000 201.09 -28.3311 -85.2643 -20.2034 207.188 196.536 -144.543 43.3285 220.106 PRESSAVG: 4008000 26.2122 -27.0297 -4.76234 -27.0297 -1.47238 49.5317 -4.76229 49.5317 13.1346 GPRESSAVG: 4008000 26.2741 -27.6948 -4.42302 -27.7551 -1.67262 50.1136 -2.51568 46.0617 12.7665 TIMING: 4008000 CPU: 12988.6, 0.00312257/step Wall: 12988.6, 0.00312257/step, 0.860442 hours remaining, 237.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4008000 4022.6722 20532.1689 14525.2909 238.4695 -203544.4334 2782.2844 0.0000 0.0000 51790.0294 -109653.5180 297.6380 -161443.5474 -109290.9371 298.5950 179.1886 209.4613 759865.6531 12.6248 12.4560 PRESSURE: 4008200 118.354 -165.558 46.2206 -165.56 -10.9928 118.902 46.2204 118.901 53.8339 GPRESSURE: 4008200 87.8629 -119.676 15.1907 -173.869 93.7128 107.244 118.438 136.079 82.7553 PRESSAVG: 4008200 22.8862 -33.9107 37.9399 -33.9107 17.6256 23.1626 37.9399 23.1627 -2.37654 GPRESSAVG: 4008200 22.6895 -34.9477 39.2314 -31.0079 17.9015 22.1155 36.554 23.6248 -2.84992 TIMING: 4008200 CPU: 12989.2, 0.0031392/step Wall: 12989.2, 0.0031392/step, 0.864849 hours remaining, 237.070312 MB of memory in use. ENERGY: 4008200 3890.8354 20539.8467 14446.5015 257.0950 -203544.3018 2660.8354 0.0000 0.0000 52089.3730 -109659.8149 299.3583 -161749.1879 -109296.3152 298.6161 53.7318 88.1103 759266.8189 12.7117 12.5804 LDB: ============= START OF LOAD BALANCING ============== 13001.6 LDB: ============== END OF LOAD BALANCING =============== 13001.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13001.6 LDB: ============= START OF LOAD BALANCING ============== 13001.9 LDB: Largest compute 7078 load 0.034812 is 17.8% of average load 0.195620 LDB: Average compute 0.004388 is 2.2% of average load 0.195620 LDB: TIME 13001.9 LOAD: AVG 0.19562 MAX 0.21994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.824 MB LDB: TIME 13001.9 LOAD: AVG 0.19562 MAX 0.21994 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: TIME 13001.9 LOAD: AVG 0.19562 MAX 0.216662 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: ============== END OF LOAD BALANCING =============== 13002 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13002 PRESSURE: 4008400 -82.3288 -340.033 -15.1734 -340.032 -110.797 -170.122 -15.1743 -170.123 -136.298 GPRESSURE: 4008400 27.151 -242.733 16.9451 -244.984 -97.5589 -184.714 82.5385 -131.236 -163.115 PRESSAVG: 4008400 2.33912 -13.5726 -24.0294 -13.5726 -18.9106 21.8562 -24.0294 21.8563 -1.32861 GPRESSAVG: 4008400 2.24164 -13.9857 -24.4224 -13.1294 -19.5237 22.8913 -21.5533 22.1974 -0.931622 TIMING: 4008400 CPU: 12989.9, 0.00320629/step Wall: 12989.9, 0.0032063/step, 0.883156 hours remaining, 236.535156 MB of memory in use. ENERGY: 4008400 3924.5305 20370.9624 14454.9008 230.1587 -203437.3157 2524.3911 0.0000 0.0000 52104.7586 -109827.6135 299.4468 -161932.3721 -109468.5982 298.4268 -109.8080 -77.8408 759768.7893 -5.9667 -6.0712 PRESSURE: 4008600 126.142 -138.843 33.3 -138.842 -118.421 -142.306 33.2994 -142.306 338.663 GPRESSURE: 4008600 130.26 -183.986 43.697 -195.012 -34.8566 -68.2083 28.1598 -64.1625 343.5 PRESSAVG: 4008600 -50.6875 -15.4749 3.57229 -15.4748 -3.13346 -16.4888 3.57229 -16.4889 26.7607 GPRESSAVG: 4008600 -50.9418 -13.8176 3.89078 -16.751 -3.85579 -20.9602 1.30794 -14.6971 27.347 TIMING: 4008600 CPU: 12990.5, 0.00314131/step Wall: 12990.5, 0.00314131/step, 0.865081 hours remaining, 236.863281 MB of memory in use. ENERGY: 4008600 3934.2084 20625.1330 14419.6067 246.0164 -203450.2864 2770.2855 0.0000 0.0000 51716.4017 -109738.6348 297.2149 -161455.0364 -109379.1238 297.9756 115.4613 146.3011 762241.2621 -9.0201 -9.1502 PRESSURE: 4008800 88.8835 2.789 21.386 2.78773 94.9094 -211.851 21.3855 -211.851 413.981 GPRESSURE: 4008800 83.8922 54.4274 40.0648 11.9764 177.534 -152.449 38.2472 -222.325 434.282 PRESSAVG: 4008800 -5.66139 -36.4037 -36.6184 -36.4036 13.975 -60.4538 -36.6184 -60.4538 19.5525 GPRESSAVG: 4008800 -7.44373 -37.8871 -37.1857 -35.3649 16.7525 -56.3367 -36.9256 -61.5414 18.1503 TIMING: 4008800 CPU: 12991.1, 0.00312406/step Wall: 12991.1, 0.00312406/step, 0.860157 hours remaining, 236.863281 MB of memory in use. ENERGY: 4008800 3899.1689 20569.6384 14457.2493 267.0593 -203555.4747 2702.2233 0.0000 0.0000 52037.7430 -109622.3925 299.0616 -161660.1356 -109260.4325 298.7825 199.2580 231.9028 760724.6643 9.2887 9.1530 PRESSURE: 4009000 215.544 -49.0438 -89.5602 -49.044 203.943 -10.4572 -89.5623 -10.459 50.7327 GPRESSURE: 4009000 177.425 24.4539 -124.186 -7.13504 286.637 -25.5555 -84.8087 -84.033 93.1954 PRESSAVG: 4009000 -25.7095 -22.914 -6.51387 -22.914 26.702 -15.7473 -6.51379 -15.7474 23.1424 GPRESSAVG: 4009000 -23.6189 -21.5994 -5.38217 -25.7267 25.1367 -15.6916 -7.81278 -15.9777 22.66 TIMING: 4009000 CPU: 12991.7, 0.00313799/step Wall: 12991.7, 0.00313799/step, 0.863819 hours remaining, 236.863281 MB of memory in use. ENERGY: 4009000 3959.5637 20630.1190 14395.4832 236.8999 -203427.5057 2710.5503 0.0000 0.0000 52004.7326 -109490.1570 298.8719 -161494.8896 -109138.5550 298.7958 156.7402 185.7524 760389.1098 8.0450 8.0593 PRESSURE: 4009200 -218.428 23.1979 23.325 23.1979 -242.381 139.349 23.3249 139.35 -78.4515 GPRESSURE: 4009200 -207.11 -29.1178 -106.52 -0.371157 -203.731 198.251 111.5 68.1028 -26.4327 PRESSAVG: 4009200 -10.4856 -21.8329 -49.1839 -21.8329 -13.4676 -2.3488 -49.1839 -2.34882 -1.13813 GPRESSAVG: 4009200 -11.8399 -22.2564 -49.7305 -20.4281 -13.4052 -1.15799 -47.5218 -3.13693 0.954232 TIMING: 4009200 CPU: 12992.4, 0.00311812/step Wall: 12992.4, 0.00311812/step, 0.858175 hours remaining, 236.863281 MB of memory in use. ENERGY: 4009200 3936.1403 20528.5746 14477.6261 219.8830 -203205.4691 2372.2163 0.0000 0.0000 52259.8237 -109411.2051 300.3379 -161671.0288 -109058.8001 299.0647 -179.7534 -145.7581 761633.3998 -8.3638 -8.0969 PRESSURE: 4009400 -539.408 -15.581 21.918 -15.5812 257.238 -72.9897 21.9179 -72.988 71.7397 GPRESSURE: 4009400 -431.54 82.4707 132.445 76.9711 222.113 18.7804 40.0745 -69.2612 97.2743 PRESSAVG: 4009400 -83.5649 -30.9208 30.2535 -30.9209 51.749 27.8977 30.2534 27.8977 -17.6597 GPRESSAVG: 4009400 -82.6276 -32.3551 30.3671 -30.1835 52.0364 27.2026 32.1306 28.3835 -18.8527 TIMING: 4009400 CPU: 12993, 0.00311082/step Wall: 12993, 0.00311082/step, 0.855993 hours remaining, 236.863281 MB of memory in use. ENERGY: 4009400 3970.7916 20510.6280 14414.2511 253.4715 -203056.6619 2176.3663 0.0000 0.0000 52212.8231 -109518.3303 300.0678 -161731.1534 -109140.8786 299.2763 -70.1432 -37.3842 761663.5807 -16.4919 -16.4813 PRESSURE: 4009600 -76.3065 -132.914 207.682 -132.914 101.197 -34.0455 207.682 -34.0454 17.9605 GPRESSURE: 4009600 51.5834 -78.3835 197.532 -127.954 124.187 122.856 141.574 -153.707 -31.3837 PRESSAVG: 4009600 -49.3496 -4.57054 46.0882 -4.57059 65.1539 -22.0604 46.0882 -22.0604 7.08375 GPRESSAVG: 4009600 -49.2256 -4.79593 46.4776 -6.44035 64.3754 -23.779 43.1378 -20.7216 7.80684 TIMING: 4009600 CPU: 12993.6, 0.00311852/step Wall: 12993.6, 0.00311852/step, 0.857939 hours remaining, 236.863281 MB of memory in use. ENERGY: 4009600 4034.9274 20582.4696 14504.0915 251.4919 -203281.1846 2508.1893 0.0000 0.0000 52012.2944 -109387.7203 298.9154 -161400.0148 -109024.2545 299.3674 14.2837 48.1289 760849.8439 7.6294 7.6522 PRESSURE: 4009800 120.986 -25.3224 -59.4733 -25.3221 63.9369 -135.478 -59.4741 -135.477 146.825 GPRESSURE: 4009800 111.6 -92.6629 -18.5102 70.1062 96.6613 -101.592 -43.472 7.07196 222.266 PRESSAVG: 4009800 23.283 -0.635435 1.24826 -0.635431 -8.83135 -18.4189 1.24828 -18.4189 25.0001 GPRESSAVG: 4009800 23.1044 0.801761 0.273898 0.943243 -7.67537 -17.0626 3.51486 -19.2013 23.9066 TIMING: 4009800 CPU: 12994.2, 0.00311721/step Wall: 12994.2, 0.00311721/step, 0.857407 hours remaining, 236.863281 MB of memory in use. ENERGY: 4009800 4008.8520 20506.2352 14451.2927 235.6570 -203540.6482 2737.2159 0.0000 0.0000 52252.7174 -109348.6780 300.2971 -161601.3953 -108989.4308 299.6665 110.5828 143.5091 759019.4473 13.1506 13.1119 PRESSURE: 4010000 -379.896 -43.6034 16.2726 -43.603 -226.656 23.9826 16.2724 23.983 -132.903 GPRESSURE: 4010000 -309.1 -70.2167 5.39894 -67.4438 -239.243 57.348 -109.617 1.37188 -100.132 PRESSAVG: 4010000 -62.1007 -0.683555 30.2079 -0.683555 9.3728 -30.8897 30.2079 -30.8897 13.9621 GPRESSAVG: 4010000 -62.5215 -1.01091 32.1851 -2.14203 9.74117 -32.0116 28.2877 -29.4656 14.5865 TIMING: 4010000 CPU: 12994.8, 0.00311614/step Wall: 12994.8, 0.00311614/step, 0.856938 hours remaining, 236.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 4073.6104 20498.2970 14506.2507 235.9255 -203365.3021 2525.0150 0.0000 0.0000 52077.4328 -109448.7707 299.2897 -161526.2036 -109088.5642 299.4396 -246.4850 -216.1583 761185.0013 -12.9220 -12.7313 PRESSURE: 4010200 108.134 -45.8895 114.845 -45.8893 429.129 -2.19361 114.845 -2.19427 -55.3711 GPRESSURE: 4010200 66.4184 -25.576 122.989 -208.147 476.682 20.4366 17.2584 -28.3755 22.9133 PRESSAVG: 4010200 -1.51149 -29.8952 -2.96538 -29.8953 24.1689 -7.50676 -2.96538 -7.50674 12.5208 GPRESSAVG: 4010200 -1.60278 -29.4687 -4.46257 -28.5843 24.1731 -6.42695 -1.12857 -8.53851 12.5297 TIMING: 4010200 CPU: 12995.5, 0.00310597/step Wall: 12995.5, 0.00310597/step, 0.85397 hours remaining, 236.863281 MB of memory in use. ENERGY: 4010200 3967.0028 20500.8102 14459.9102 243.4271 -203413.0083 2674.1478 0.0000 0.0000 52143.7171 -109423.9931 299.6707 -161567.7102 -109063.4163 299.5964 160.6304 188.6712 761821.8091 11.7261 11.7000 PRESSURE: 4010400 121.013 80.6135 232.364 80.6139 39.1937 141.82 232.365 141.82 -11.8926 GPRESSURE: 4010400 144.057 -0.533818 259.595 -78.7874 78.4129 142.736 147.138 165.275 7.76467 PRESSAVG: 4010400 -30.0525 -16.1462 -23.0054 -16.1462 48.6382 -37.2323 -23.0054 -37.2323 -5.81978 GPRESSAVG: 4010400 -29.703 -18.9126 -23.2124 -14.815 49.4558 -38.4786 -23.8673 -38.1839 -7.214 TIMING: 4010400 CPU: 12996.1, 0.00310517/step Wall: 12996.1, 0.00310517/step, 0.853577 hours remaining, 236.863281 MB of memory in use. ENERGY: 4010400 4006.7138 20623.4772 14458.8996 255.2471 -203392.8719 2573.7734 0.0000 0.0000 52134.7510 -109340.0098 299.6191 -161474.7608 -108980.7559 299.2844 49.4379 76.7449 761428.2052 4.2553 4.1796 PRESSURE: 4010600 -114.006 154.535 -162.632 154.536 -267.665 -197.834 -162.632 -197.834 188.221 GPRESSURE: 4010600 -31.8074 205.569 -119.337 45.6178 -264.857 -231.25 -85.14 -99.2111 192.023 PRESSAVG: 4010600 33.1971 -21.0082 5.47658 -21.0082 -10.4477 -65.9956 5.47652 -65.9956 -11.1722 GPRESSAVG: 4010600 33.0392 -17.9436 7.38638 -23.9796 -11.3117 -67.0499 4.44251 -64.9794 -10.6803 TIMING: 4010600 CPU: 12996.7, 0.00311648/step Wall: 12996.7, 0.00311648/step, 0.856513 hours remaining, 236.863281 MB of memory in use. ENERGY: 4010600 3992.0259 20535.6522 14446.9293 264.1827 -203391.4098 2548.6572 0.0000 0.0000 52016.9392 -109587.0232 298.9421 -161603.9624 -109220.8578 299.1589 -64.4834 -34.8806 762036.9070 3.8591 3.6824 PRESSURE: 4010800 -234.871 33.2714 -149.743 33.2717 159.142 147.339 -149.743 147.338 -168.341 GPRESSURE: 4010800 -163.088 -8.81342 -220.686 -42.9147 182.267 77.1111 -53.6697 162.232 -151.968 PRESSAVG: 4010800 81.6066 13.1321 25.0172 13.132 -42.1341 -60.2552 25.0172 -60.2552 2.77739 GPRESSAVG: 4010800 82.4158 11.1538 21.9942 11.9655 -42.983 -61.0184 26.257 -58.2612 3.614 TIMING: 4010800 CPU: 12997.3, 0.00310964/step Wall: 12997.3, 0.00310964/step, 0.85446 hours remaining, 236.863281 MB of memory in use. ENERGY: 4010800 3958.1723 20387.7913 14474.2144 258.3867 -203475.4002 2562.8334 0.0000 0.0000 52306.4310 -109527.5713 300.6058 -161834.0023 -109157.7485 299.1553 -81.3566 -44.2631 760057.7128 14.0833 14.3489 PRESSURE: 4011000 -266.556 3.45239 -52.4795 3.45352 -50.4981 23.3669 -52.4795 23.3673 243.782 GPRESSURE: 4011000 -295.06 11.9966 5.918 -49.0145 11.2636 -19.2304 -116.853 -50.0152 300.004 PRESSAVG: 4011000 -65.2454 44.2625 -48.7029 44.2625 59.8571 2.28901 -48.7029 2.28898 -0.349828 GPRESSAVG: 4011000 -66.3676 45.1884 -45.916 47.6171 59.4769 3.94198 -50.2132 -0.507805 0.792157 TIMING: 4011000 CPU: 12998, 0.0031243/step Wall: 12998, 0.0031243/step, 0.858314 hours remaining, 236.863281 MB of memory in use. ENERGY: 4011000 3933.7805 20638.4742 14445.7368 251.0632 -203006.7543 2390.8572 0.0000 0.0000 51978.5613 -109368.2812 298.7215 -161346.8425 -109009.5965 298.9730 -24.4239 5.4026 761007.1806 -1.9127 -2.0328 PRESSURE: 4011200 269.152 49.0538 -3.98199 49.053 60.0467 29.8733 -3.98197 29.8741 -203.53 GPRESSURE: 4011200 291.368 28.9495 -23.2247 -32.0884 87.4192 14.4563 -17.6017 90.7652 -167.896 PRESSAVG: 4011200 19.1028 13.5909 -20.3164 13.5909 -0.0105117 -20.4447 -20.3164 -20.4446 8.49832 GPRESSAVG: 4011200 18.4194 12.7412 -21.9391 13.0008 2.59353 -20.8718 -20.8577 -18.6682 6.5888 TIMING: 4011200 CPU: 12998.6, 0.003099/step Wall: 12998.6, 0.003099/step, 0.851192 hours remaining, 236.863281 MB of memory in use. ENERGY: 4011200 3975.0906 20605.7141 14476.1915 276.9014 -203097.4117 2498.9019 0.0000 0.0000 51957.1493 -109307.4629 298.5985 -161264.6122 -108940.7277 299.4568 41.8896 70.2970 760468.6043 9.1969 9.2006 PRESSURE: 4011400 -158.684 -4.75638 123.206 -4.756 -124.983 -182.744 123.205 -182.743 -207.46 GPRESSURE: 4011400 -173.99 -101.184 107.983 17 -159.891 -141.286 97.6509 -285.691 -64.4631 PRESSAVG: 4011400 38.6893 16.7726 -21.6337 16.7727 8.13062 24.351 -21.6336 24.3509 1.88896 GPRESSAVG: 4011400 40.9207 17.054 -20.4964 15.3817 4.93012 26.3991 -21.1736 22.8782 2.58896 TIMING: 4011400 CPU: 12999.2, 0.00309964/step Wall: 12999.2, 0.00309964/step, 0.851196 hours remaining, 236.863281 MB of memory in use. ENERGY: 4011400 3981.4210 20629.0848 14429.2125 243.3085 -202994.7576 2532.5882 0.0000 0.0000 52190.0354 -108989.1073 299.9369 -161179.1426 -108613.4422 299.7639 -163.7089 -132.7811 763204.4713 16.2363 16.1466 PRESSURE: 4011600 216.851 -332.573 -110.127 -332.574 -62.6624 141.935 -110.126 141.936 428.739 GPRESSURE: 4011600 135 -142.574 -149.615 -334.081 -1.56817 210.776 -97.0284 241.449 540.399 PRESSAVG: 4011600 -22.2038 -37.6922 -31.0012 -37.6922 -13.2654 -38.0305 -31.0012 -38.0305 9.18089 GPRESSAVG: 4011600 -23.6557 -35.0843 -31.4941 -39.5269 -12.0605 -38.979 -31.6806 -36.1072 9.247 TIMING: 4011600 CPU: 12999.8, 0.00309755/step Wall: 12999.8, 0.00309755/step, 0.850449 hours remaining, 236.863281 MB of memory in use. ENERGY: 4011600 3937.4236 20489.9182 14406.8516 262.1276 -203059.1446 2640.0052 0.0000 0.0000 52255.3519 -109067.4664 300.3122 -161322.8184 -108703.9322 299.5740 194.3090 224.6102 762763.8800 -8.7628 -8.8231 PRESSURE: 4011800 -230.162 89.4289 -17.0282 89.4293 253.143 -88.9957 -17.0277 -88.9962 -468.251 GPRESSURE: 4011800 -157.466 111.625 -71.3712 -40.5358 289.393 5.47199 72.6852 -73.8664 -476.033 PRESSAVG: 4011800 7.26654 -46.0982 -8.18936 -46.0982 -11.9186 6.8534 -8.18937 6.8534 13.1165 GPRESSAVG: 4011800 7.3238 -47.3393 -9.62242 -45.2801 -11.3686 6.97461 -6.59212 7.29351 12.6667 TIMING: 4011800 CPU: 13000.4, 0.00312951/step Wall: 13000.4, 0.00312951/step, 0.85905 hours remaining, 236.863281 MB of memory in use. ENERGY: 4011800 4051.0085 20475.6857 14421.7416 253.1178 -203351.5159 2533.5887 0.0000 0.0000 52503.5520 -109112.8216 301.7386 -161616.3736 -108753.1569 300.1962 -148.4232 -114.7020 761870.0039 2.8215 2.8740 PRESSURE: 4012000 -261.758 -50.9058 -24.214 -50.9057 -35.9385 205.169 -24.2135 205.17 -336.249 GPRESSURE: 4012000 -198.834 11.5715 -7.48744 -119.904 -8.71842 87.6174 -73.3694 137.313 -335.511 PRESSAVG: 4012000 10.9226 4.63285 21.8941 4.63287 2.24201 -27.7116 21.8941 -27.7115 -1.0992 GPRESSAVG: 4012000 10.9951 2.11817 21.9524 7.08561 2.25955 -26.7702 21.8794 -28.9033 -1.43123 TIMING: 4012000 CPU: 13001.1, 0.00312054/step Wall: 13001.1, 0.00312054/step, 0.856415 hours remaining, 236.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 3945.8048 20458.2385 14493.6162 242.7659 -202872.9749 2318.2325 0.0000 0.0000 52392.7538 -109021.5631 301.1019 -161414.3169 -108649.2586 300.3019 -211.3152 -181.0209 761805.3148 4.0218 3.9411 PRESSURE: 4012200 76.833 -69.639 -60.3215 -69.6391 -89.2834 29.1838 -60.3211 29.1852 -79.5826 GPRESSURE: 4012200 -24.0139 -89.1609 -187.674 -30.8354 9.92259 150.896 101.331 0.644265 -11.7344 PRESSAVG: 4012200 -1.62586 -43.6688 -18.9987 -43.6688 -18.3066 -0.289599 -18.9987 -0.289582 4.28274 GPRESSAVG: 4012200 -0.917244 -42.1559 -19.0131 -44.0603 -19.1591 -1.73745 -18.9801 -1.94113 4.39965 TIMING: 4012200 CPU: 13001.7, 0.0031094/step Wall: 13001.7, 0.0031094/step, 0.853185 hours remaining, 236.863281 MB of memory in use. ENERGY: 4012200 3957.6270 20772.6234 14487.2164 234.8839 -203219.5726 2692.4989 0.0000 0.0000 52038.8238 -109035.8990 299.0678 -161074.7229 -108667.2383 300.2766 -30.6776 -8.6086 762737.3398 -5.2166 -5.2256 LDB: ============= START OF LOAD BALANCING ============== 13014.1 LDB: ============== END OF LOAD BALANCING =============== 13014.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13014.1 LDB: ============= START OF LOAD BALANCING ============== 13014.4 LDB: Largest compute 7068 load 0.033888 is 17.3% of average load 0.195627 LDB: Average compute 0.004391 is 2.2% of average load 0.195627 LDB: TIME 13014.4 LOAD: AVG 0.195627 MAX 0.218371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.457 MB LDB: TIME 13014.4 LOAD: AVG 0.195627 MAX 0.218371 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: TIME 13014.4 LOAD: AVG 0.195627 MAX 0.215741 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: ============== END OF LOAD BALANCING =============== 13014.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13014.4 PRESSURE: 4012400 -162.235 -82.8453 206.291 -82.8454 202.545 182.06 206.291 182.06 53.3507 GPRESSURE: 4012400 -50.6694 -228.344 237.898 -187.852 110.722 328.215 192.597 210.032 87.0953 PRESSAVG: 4012400 -12.7174 -77.7472 -19.7174 -77.7472 43.0874 -46.4547 -19.7174 -46.4547 8.36697 GPRESSAVG: 4012400 -11.8609 -79.373 -19.547 -79.2047 42.695 -45.1269 -19.4146 -43.8508 7.74315 TIMING: 4012400 CPU: 13002.3, 0.00317423/step Wall: 13002.3, 0.00317423/step, 0.870796 hours remaining, 234.812500 MB of memory in use. ENERGY: 4012400 3955.8071 20548.8254 14458.3124 250.7363 -202938.4893 2446.0142 0.0000 0.0000 52036.1080 -109242.6860 299.0522 -161278.7939 -108882.0349 299.5077 31.2203 49.0492 762224.7441 12.9123 12.8591 PRESSURE: 4012600 -18.9022 -439.765 11.7581 -439.765 196.354 -287.322 11.7584 -287.322 -57.8173 GPRESSURE: 4012600 15.0459 -430.694 -1.41283 -464.407 155.242 -261.412 11.6642 -136.858 11.4451 PRESSAVG: 4012600 -11.5724 -45.9359 18.0246 -45.9359 43.6323 -23.1833 18.0245 -23.1833 4.80416 GPRESSAVG: 4012600 -13.1115 -43.8981 18.4019 -44.4396 44.5051 -23.0553 18.4295 -24.627 5.42804 TIMING: 4012600 CPU: 13002.9, 0.00310804/step Wall: 13002.9, 0.00310804/step, 0.852468 hours remaining, 234.953125 MB of memory in use. ENERGY: 4012600 4075.7693 20597.0007 14438.0415 252.5542 -203327.8386 2589.5569 0.0000 0.0000 52034.5836 -109340.3323 299.0435 -161374.9159 -108983.0682 299.7343 39.8783 60.5776 760289.6430 12.2880 12.2739 PRESSURE: 4012800 99.4367 32.3292 -54.2627 32.33 -220.667 108.211 -54.2618 108.211 -251.605 GPRESSURE: 4012800 2.51687 -20.7645 -68.5937 92.6757 -107.158 136.251 -77.9839 24.617 -187.166 PRESSAVG: 4012800 -40.5563 11.2342 31.8027 11.2341 70.1824 -27.9335 31.8027 -27.9335 2.75602 GPRESSAVG: 4012800 -40.421 10.7385 32.6449 11.7768 69.9996 -27.7272 32.584 -27.8948 2.53832 TIMING: 4012800 CPU: 13003.6, 0.00309098/step Wall: 13003.6, 0.00309098/step, 0.847615 hours remaining, 235.210938 MB of memory in use. ENERGY: 4012800 3999.1225 20678.9724 14536.3187 227.7783 -203455.2967 2625.1596 0.0000 0.0000 52089.3712 -109298.5739 299.3583 -161387.9451 -108925.5138 299.5549 -124.2783 -97.2691 762656.1717 10.7940 10.7056 PRESSURE: 4013000 -513.034 67.5729 192.238 67.5727 -137.296 -285.932 192.239 -285.931 -238.882 GPRESSURE: 4013000 -377.778 -14.0411 204.137 -168.898 -182.131 -292.022 190.817 -329.178 -232.714 PRESSAVG: 4013000 -27.6386 -35.8739 36.7052 -35.8739 14.4329 -15.5375 36.7052 -15.5375 -4.13779 GPRESSAVG: 4013000 -27.698 -34.9745 35.2309 -38.4468 14.2229 -15.042 36.8772 -16.8575 -3.88639 TIMING: 4013000 CPU: 13004.2, 0.003097/step Wall: 13004.2, 0.003097/step, 0.849094 hours remaining, 235.210938 MB of memory in use. ENERGY: 4013000 3981.5243 20474.6709 14497.3555 251.5258 -203084.3134 2420.9074 0.0000 0.0000 52169.0790 -109289.2504 299.8164 -161458.3294 -108913.0104 299.4577 -296.4039 -264.2078 763277.2396 -5.7812 -5.7872 PRESSURE: 4013200 200.07 -160.774 -229.603 -160.775 91.9929 -226.843 -229.603 -226.842 284.028 GPRESSURE: 4013200 243.875 -278.201 -166.625 -108.708 16.8571 -233.462 -302.311 -178.131 390.651 PRESSAVG: 4013200 8.64747 -58.4794 18.5475 -58.4794 -20.191 -73.4833 18.5476 -73.4833 12.8994 GPRESSAVG: 4013200 9.8472 -60.329 20.0388 -55.6293 -20.7396 -73.9859 16.7635 -72.0418 12.1788 TIMING: 4013200 CPU: 13004.8, 0.00309891/step Wall: 13004.8, 0.00309891/step, 0.849445 hours remaining, 235.210938 MB of memory in use. ENERGY: 4013200 4044.8788 20489.2039 14482.8962 245.2860 -203834.6906 2911.2267 0.0000 0.0000 52108.7784 -109552.4208 299.4699 -161661.1991 -109184.7187 299.3642 192.0304 217.1279 761204.0040 0.4519 0.4288 PRESSURE: 4013400 -19.5989 -86.5599 56.5112 -86.56 173.715 -204.462 56.5111 -204.462 -285.995 GPRESSURE: 4013400 -105.291 -67.4558 43.6 -88.582 244.774 -184.942 5.58243 -134.253 -166.666 PRESSAVG: 4013400 55.9554 -30.1197 34.7696 -30.1197 -47.1817 8.00385 34.7696 8.00375 -4.82472 GPRESSAVG: 4013400 55.0475 -30.4472 33.1446 -29.3395 -47.2216 6.29569 35.7999 8.79427 -4.00132 TIMING: 4013400 CPU: 13005.4, 0.00309485/step Wall: 13005.4, 0.00309485/step, 0.848161 hours remaining, 235.210938 MB of memory in use. ENERGY: 4013400 3911.3720 20515.6955 14482.9636 248.4960 -203591.1565 2696.9297 0.0000 0.0000 51893.2889 -109842.4108 298.2314 -161735.6997 -109485.3004 298.7131 -43.9596 -9.0610 761356.7642 1.3163 1.2749 PRESSURE: 4013600 -183.876 25.6279 -106.126 25.6274 10.1208 -20.5027 -106.126 -20.5022 115.713 GPRESSURE: 4013600 -127.6 -93.7404 -187.84 -67.6744 66.1911 -19.3606 -149.933 5.26787 76.5007 PRESSAVG: 4013600 -19.0314 -31.2366 26.1856 -31.2366 0.507397 -25.5816 26.1857 -25.5816 -27.0686 GPRESSAVG: 4013600 -17.5258 -30.222 25.9557 -34.3008 0.409848 -23.6038 27.3252 -25.6045 -27.735 TIMING: 4013600 CPU: 13006, 0.00312262/step Wall: 13006, 0.00312262/step, 0.855597 hours remaining, 235.222656 MB of memory in use. ENERGY: 4013600 3981.0478 20537.3311 14493.7900 257.6387 -203346.4576 2534.7773 0.0000 0.0000 51890.4938 -109651.3791 298.2154 -161541.8729 -109284.4947 298.1130 -19.3471 5.0307 762371.7428 -15.1975 -14.9503 PRESSURE: 4013800 -101.208 25.5459 41.6282 25.5453 -353.514 83.7233 41.6275 83.7226 -227.887 GPRESSURE: 4013800 -76.6648 49.6668 64.316 92.269 -344.033 56.7264 6.31064 227.202 -197.887 PRESSAVG: 4013800 -3.39278 14.0114 35.487 14.0115 37.2808 0.863589 35.487 0.863564 10.3068 GPRESSAVG: 4013800 -4.47556 14.3116 37.4807 17.3352 38.0827 -1.92945 33.993 1.42479 10.9826 TIMING: 4013800 CPU: 13006.7, 0.00312855/step Wall: 13006.7, 0.00312855/step, 0.857049 hours remaining, 235.222656 MB of memory in use. ENERGY: 4013800 3958.7710 20489.7740 14428.9468 246.7358 -203389.2255 2438.0888 0.0000 0.0000 52126.0525 -109700.8566 299.5691 -161826.9091 -109333.1229 298.0952 -227.5363 -206.1949 761822.5094 14.7316 14.8633 PRESSURE: 4014000 216.638 -224.476 -41.0835 -224.475 -297.849 -99.434 -41.0837 -99.4338 63.6466 GPRESSURE: 4014000 232.017 -217.305 -70.4202 -195.492 -261.616 -24.502 72.0534 -202.01 120.323 PRESSAVG: 4014000 0.0016097 -39.0237 -33.4352 -39.0237 20.9083 -92.771 -33.4352 -92.771 -10.6916 GPRESSAVG: 4014000 1.2257 -39.2499 -34.2433 -43.2488 20.3554 -92.5701 -33.1882 -92.9238 -11.6821 TIMING: 4014000 CPU: 13007.3, 0.00311463/step Wall: 13007.3, 0.00311463/step, 0.853063 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4014000 3940.6574 20548.9427 14489.5580 238.1917 -203183.9422 2354.1642 0.0000 0.0000 51979.1759 -109633.2525 298.7250 -161612.4283 -109274.8962 298.2933 -5.8550 30.2416 759962.3277 3.4061 3.2997 PRESSURE: 4014200 126.1 139.554 -84.0587 139.555 -166.28 268.387 -84.0585 268.388 -224.475 GPRESSURE: 4014200 136.052 158.454 -68.0655 82.9757 -59.3993 306.011 -99.0244 201.462 -255.837 PRESSAVG: 4014200 -15.7738 9.30327 -27.593 9.30331 16.6455 -28.2984 -27.5929 -28.2983 -16.5032 GPRESSAVG: 4014200 -16.5636 8.38076 -26.6264 14.6431 16.6003 -26.3088 -27.3912 -30.8123 -15.6678 TIMING: 4014200 CPU: 13007.9, 0.00310233/step Wall: 13007.9, 0.00310233/step, 0.84952 hours remaining, 235.222656 MB of memory in use. ENERGY: 4014200 3970.8369 20595.8425 14472.2892 241.1301 -203131.6873 2373.0839 0.0000 0.0000 52013.2529 -109465.2518 298.9209 -161478.5047 -109104.3744 298.5115 -88.2182 -59.7281 761818.0129 -5.2105 -5.2104 PRESSURE: 4014400 -542.445 14.8766 33.8015 14.877 -108.042 81.1699 33.8017 81.1702 -126.489 GPRESSURE: 4014400 -386.151 -120.251 65.7661 52.8726 -121.319 40.0458 -34.9784 130.579 -154.676 PRESSAVG: 4014400 -5.82073 -36.6862 4.77803 -36.6862 0.198015 -7.84602 4.778 -7.84599 0.536168 GPRESSAVG: 4014400 -7.21046 -34.997 4.35989 -39.0316 1.2799 -9.75571 3.18491 -4.98376 0.56403 TIMING: 4014400 CPU: 13008.5, 0.00311482/step Wall: 13008.5, 0.00311482/step, 0.852768 hours remaining, 235.222656 MB of memory in use. ENERGY: 4014400 4087.9068 20403.6295 14496.9977 247.5228 -203465.9172 2527.3289 0.0000 0.0000 51981.8538 -109720.6777 298.7404 -161702.5315 -109356.5397 298.7715 -258.9918 -220.7151 761668.1469 -1.6955 -1.7888 PRESSURE: 4014600 254.592 -148.978 -269.413 -148.978 157.647 187.755 -269.412 187.754 20.6091 GPRESSURE: 4014600 263.741 -127.281 -212.109 -59.0966 157.986 170.905 -293.711 199.222 119.651 PRESSAVG: 4014600 -0.337382 -10.8191 -45.9949 -10.8191 -2.00067 0.60553 -45.995 0.605537 8.82569 GPRESSAVG: 4014600 0.87425 -10.4984 -45.2079 -12.446 -2.08377 1.9675 -45.0686 -0.483818 8.00305 TIMING: 4014600 CPU: 13009.2, 0.00311041/step Wall: 13009.2, 0.00311041/step, 0.851389 hours remaining, 235.222656 MB of memory in use. ENERGY: 4014600 3916.5409 20550.7573 14543.5677 237.4790 -203533.2182 2616.6981 0.0000 0.0000 52151.0837 -109517.0915 299.7130 -161668.1753 -109148.2253 298.8401 144.2829 180.4593 762384.3120 2.1625 2.2645 PRESSURE: 4014800 -58.9714 132.352 -153.439 132.351 -461.099 45.7261 -153.44 45.7256 -345.96 GPRESSURE: 4014800 -58.9685 38.5447 -213.546 12.3702 -442.615 -28.2501 -111.972 64.3205 -286.82 PRESSAVG: 4014800 62.4135 -15.7319 1.5349 -15.7319 -30.8388 -13.1062 1.53495 -13.1063 8.97918 GPRESSAVG: 4014800 63.1308 -17.2574 -0.148496 -13.2355 -31.6687 -13.7486 2.75472 -12.1917 9.17124 TIMING: 4014800 CPU: 13009.8, 0.0031097/step Wall: 13009.8, 0.0031097/step, 0.851022 hours remaining, 235.222656 MB of memory in use. ENERGY: 4014800 3927.3245 20556.9974 14511.5721 235.9990 -202998.1826 2256.3335 0.0000 0.0000 52119.1133 -109390.8429 299.5293 -161509.9562 -109022.7656 299.0023 -288.6768 -262.8013 762595.2819 13.5179 13.5444 PRESSURE: 4015000 -12.2939 100.773 2.84488 100.774 -336.539 77.4985 2.84591 77.4997 -264.229 GPRESSURE: 4015000 -3.34338 198.626 -10.1807 137.554 -219.73 175.959 -43.7078 212.873 -303.173 PRESSAVG: 4015000 6.24895 9.11434 16.1343 9.11437 -10.471 -21.5602 16.1342 -21.5603 -6.46071 GPRESSAVG: 4015000 5.95126 11.2243 16.2158 9.17779 -9.90114 -21.171 15.2801 -21.4722 -6.72921 TIMING: 4015000 CPU: 13010.4, 0.003112/step Wall: 13010.4, 0.003112/step, 0.851478 hours remaining, 235.222656 MB of memory in use. ENERGY: 4015000 4047.2025 20448.3731 14476.9446 230.0972 -203145.9389 2465.0619 0.0000 0.0000 51971.9677 -109506.2919 298.6836 -161478.2596 -109152.1145 298.9149 -204.3543 -175.4155 760992.6504 -3.5609 -3.5597 PRESSURE: 4015200 343.579 85.3676 55.8415 85.3679 117.543 -135.54 55.8419 -135.541 258.389 GPRESSURE: 4015200 348.248 128.8 158.836 18.8796 233.258 -76.5179 37.9128 -171.1 226.949 PRESSAVG: 4015200 33.0787 50.3681 -1.79508 50.3682 -65.5925 -46.6062 -1.79506 -46.6062 1.96484 GPRESSAVG: 4015200 34.8701 50.1057 -0.83014 50.5426 -66.151 -45.8894 -1.01909 -45.4846 1.24998 TIMING: 4015200 CPU: 13011, 0.00311885/step Wall: 13011, 0.00311885/step, 0.853179 hours remaining, 235.222656 MB of memory in use. ENERGY: 4015200 3935.5327 20535.6587 14438.0645 245.5436 -203095.7342 2479.7499 0.0000 0.0000 51956.7813 -109504.4036 298.5963 -161461.1849 -109155.1373 298.3805 239.8368 269.4850 760963.6257 -10.1830 -10.0103 PRESSURE: 4015400 -30.0051 244.362 254.721 244.362 202.955 101.692 254.721 101.691 -353.676 GPRESSURE: 4015400 12.1605 261.681 239.231 195.093 183.199 114.857 176.012 -4.04113 -291.396 PRESSAVG: 4015400 4.41292 21.801 19.7791 21.801 22.1351 -52.2535 19.7791 -52.2534 -2.42092 GPRESSAVG: 4015400 3.68537 22.2016 20.0741 21.0231 23.0907 -52.5496 18.8362 -53.5241 -2.07707 TIMING: 4015400 CPU: 13011.7, 0.00311702/step Wall: 13011.7, 0.00311702/step, 0.852505 hours remaining, 235.222656 MB of memory in use. ENERGY: 4015400 3993.1610 20456.3087 14488.1696 245.7894 -202893.4325 2448.5941 0.0000 0.0000 51977.0590 -109284.3506 298.7129 -161261.4096 -108930.6068 299.0990 -60.2419 -32.0121 759973.2838 8.0424 8.2330 PRESSURE: 4015600 -122.16 -128.848 5.20373 -128.848 -343.548 -34.0246 5.20365 -34.0262 -325.957 GPRESSURE: 4015600 -134.105 -126.893 26.8539 -135.072 -266.847 43.9027 16.9746 -98.1474 -284.977 PRESSAVG: 4015600 25.7179 24.7402 7.73251 24.7402 -33.4938 -40.4328 7.73244 -40.4328 6.65696 GPRESSAVG: 4015600 25.6283 24.1623 8.24998 23.5108 -34.2334 -40.3213 7.16854 -41.4476 7.94063 TIMING: 4015600 CPU: 13012.3, 0.00310909/step Wall: 13012.3, 0.00310909/step, 0.850162 hours remaining, 235.222656 MB of memory in use. ENERGY: 4015600 4070.8023 20422.7319 14363.0246 247.0884 -202647.0034 2159.6649 0.0000 0.0000 52116.5783 -109267.1130 299.5147 -161383.6913 -108895.0660 299.2334 -263.8883 -228.6431 763375.0529 -0.3730 -0.2215 PRESSURE: 4015800 40.0323 27.6748 -127.898 27.6754 157.638 -150.944 -127.897 -150.944 74.7951 GPRESSURE: 4015800 66.744 66.4657 -54.9816 17.8414 222.013 -159.507 -120.817 -106.975 70.8998 PRESSAVG: 4015800 -15.9281 -19.4835 5.21392 -19.4834 -3.30117 -33.8603 5.21395 -33.8603 4.63646 GPRESSAVG: 4015800 -14.9812 -19.7197 3.84548 -17.5524 -2.76842 -35.3087 5.50017 -34.1414 3.15136 TIMING: 4015800 CPU: 13012.9, 0.00309734/step Wall: 13012.9, 0.00309734/step, 0.846779 hours remaining, 235.222656 MB of memory in use. ENERGY: 4015800 4032.6137 20385.3439 14533.7451 260.4322 -203449.7886 2935.3063 0.0000 0.0000 51982.7198 -109319.6276 298.7454 -161302.3474 -108960.6296 299.0918 90.8219 119.8855 761239.0072 -4.8643 -4.8661 PRESSURE: 4016000 348.116 102.637 81.7467 102.636 64.0364 84.0202 81.7467 84.0203 399.284 GPRESSURE: 4016000 323.635 -27.277 205.371 96.0783 111.952 24.9144 163.344 56.5699 454.319 PRESSAVG: 4016000 -24.8541 -7.44105 27.8679 -7.44104 16.9486 -10.1481 27.8679 -10.1481 -4.26867 GPRESSAVG: 4016000 -26.6855 -8.28977 26.9734 -7.01966 17.1503 -9.24562 28.2419 -8.74994 -2.70892 TIMING: 4016000 CPU: 13013.5, 0.00310611/step Wall: 13013.5, 0.00310611/step, 0.849005 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4016000 3858.9409 20572.1870 14463.2401 269.4589 -203281.2096 2661.8285 0.0000 0.0000 52073.6389 -109381.9153 299.2679 -161455.5543 -109019.8177 298.9040 270.4786 296.6354 760415.7742 -4.0581 -4.0814 PRESSURE: 4016200 -428.607 53.586 -120.455 53.5861 -140.82 77.7202 -120.455 77.72 20.9407 GPRESSURE: 4016200 -346.563 72.7542 -176.847 -1.35003 -189.1 147.482 -152.188 70.3769 82.4253 PRESSAVG: 4016200 -23.6908 -9.65163 -56.8717 -9.65163 41.7903 5.83358 -56.8717 5.83353 -8.4204 GPRESSAVG: 4016200 -24.2224 -7.79567 -57.0008 -9.77424 40.8097 4.98057 -58.38 8.36232 -7.03983 TIMING: 4016200 CPU: 13014.1, 0.00313222/step Wall: 13014.1, 0.00313222/step, 0.855966 hours remaining, 235.222656 MB of memory in use. ENERGY: 4016200 3972.0948 20381.6182 14565.9025 255.4256 -203095.6074 2301.2430 0.0000 0.0000 52109.7823 -109509.5410 299.4756 -161619.3234 -109156.2468 299.3716 -182.8285 -151.0791 762045.4521 3.2264 3.1825 LDB: ============= START OF LOAD BALANCING ============== 13026.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13026.6 LDB: =============== DONE WITH MIGRATION ================ 13026.6 LDB: ============= START OF LOAD BALANCING ============== 13026.9 LDB: Largest compute 7078 load 0.035794 is 18.3% of average load 0.195620 LDB: Average compute 0.004384 is 2.2% of average load 0.195620 LDB: TIME 13026.9 LOAD: AVG 0.19562 MAX 0.214762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 13026.9 LOAD: AVG 0.19562 MAX 0.214762 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: TIME 13026.9 LOAD: AVG 0.19562 MAX 0.214762 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: ============== END OF LOAD BALANCING =============== 13026.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13026.9 PRESSURE: 4016400 168.086 -8.38861 57.5185 -8.38902 -154.564 -19.226 57.5184 -19.2259 224.666 GPRESSURE: 4016400 161.742 -41.8015 49.7558 -61.9454 -26.2642 -54.8807 -16.7151 -54.9005 189.041 PRESSAVG: 4016400 1.18561 -52.0362 -17.6214 -52.0362 13.4223 -5.50781 -17.6215 -5.50783 12.8763 GPRESSAVG: 4016400 2.26406 -53.2367 -17.6484 -52.0292 13.3018 -4.30255 -13.4651 -10.638 12.4833 TIMING: 4016400 CPU: 13014.8, 0.00319506/step Wall: 13014.8, 0.00319506/step, 0.872962 hours remaining, 235.324219 MB of memory in use. ENERGY: 4016400 3950.3739 20417.7049 14457.7977 248.1946 -202977.5031 2197.0947 0.0000 0.0000 52251.0893 -109455.2481 300.2877 -161706.3374 -109091.2713 299.4716 79.3958 108.1729 760114.5734 9.1614 9.3497 PRESSURE: 4016600 49.5084 -94.4735 -21.5256 -94.4741 -207.465 106.178 -21.5254 106.178 29.1831 GPRESSURE: 4016600 31.349 -87.5643 1.31524 -45.7897 -97.5014 139.317 100.427 129.051 42.2748 PRESSAVG: 4016600 -38.5144 -52.8217 1.71437 -52.8217 34.3382 8.58641 1.71431 8.58647 18.7187 GPRESSAVG: 4016600 -38.3347 -51.9424 2.8084 -54.349 34.9151 9.00348 0.215221 12.3589 18.0611 TIMING: 4016600 CPU: 13015.4, 0.00313233/step Wall: 13015.4, 0.00313233/step, 0.855649 hours remaining, 235.527344 MB of memory in use. ENERGY: 4016600 4006.3500 20426.5570 14494.5817 271.9811 -203208.5510 2573.0708 0.0000 0.0000 52096.2042 -109339.8063 299.3976 -161436.0105 -108975.7216 299.1831 -42.9245 -7.9592 762393.4010 4.8475 4.8805 PRESSURE: 4016800 129.745 290.572 22.2495 290.572 -80.5239 -172.797 22.25 -172.798 -115.113 GPRESSURE: 4016800 197.283 277.08 27.89 267.981 -106.46 -286.211 -110.426 -83.2736 -64.5619 PRESSAVG: 4016800 -6.3879 -13.6507 20.0273 -13.6507 17.9882 35.0305 20.0274 35.0304 -7.02649 GPRESSAVG: 4016800 -5.43152 -15.1463 19.3737 -13.3456 17.8926 33.9498 18.3883 33.4011 -7.78109 TIMING: 4016800 CPU: 13016, 0.00312287/step Wall: 13016, 0.00312287/step, 0.85289 hours remaining, 235.785156 MB of memory in use. ENERGY: 4016800 4092.9846 20526.3329 14468.4934 238.5604 -202954.9389 2233.6634 0.0000 0.0000 52181.0869 -109213.8173 299.8854 -161394.9043 -108852.3184 299.8566 -21.9640 8.7536 761644.1967 1.5246 1.5600 PRESSURE: 4017000 -92.5506 -141.233 124.496 -141.233 -322.92 -70.1081 124.496 -70.1085 106.855 GPRESSURE: 4017000 -74.8002 -118.753 70.7698 -154.038 -261.637 -63.0712 134.519 15.2896 90.753 PRESSAVG: 4017000 16.7685 -33.1953 -24.7658 -33.1953 -41.2607 -24.5324 -24.7659 -24.5324 -12.8372 GPRESSAVG: 4017000 16.4331 -31.2332 -24.068 -31.4771 -40.9287 -23.7225 -24.6265 -22.8015 -13.0639 TIMING: 4017000 CPU: 13016.7, 0.00314199/step Wall: 13016.7, 0.00314199/step, 0.857938 hours remaining, 235.804688 MB of memory in use. ENERGY: 4017000 4034.1575 20496.5348 14525.5094 262.1050 -203121.6618 2490.2287 0.0000 0.0000 51935.1335 -109377.9931 298.4719 -161313.1265 -109006.7322 299.5155 -102.8716 -81.8949 763226.2100 -12.4431 -12.5198 PRESSURE: 4017200 -75.7847 127.665 154.278 127.666 -75.09 -113.207 154.278 -113.206 213.421 GPRESSURE: 4017200 -146.445 126.701 164.762 157.376 10.8394 -86.1673 101.576 -78.3487 280.975 PRESSAVG: 4017200 -15.4179 -38.0121 13.5087 -38.0121 2.73306 -46.0657 13.5087 -46.0657 -17.1509 GPRESSAVG: 4017200 -14.9684 -39.4975 13.9871 -37.8643 2.51553 -45.6161 14.3845 -46.0999 -16.7973 TIMING: 4017200 CPU: 13017.3, 0.00312143/step Wall: 13017.3, 0.00312143/step, 0.852152 hours remaining, 235.804688 MB of memory in use. ENERGY: 4017200 3932.7551 20708.6034 14491.2315 238.2787 -203574.2230 2785.3662 0.0000 0.0000 51944.9249 -109473.0634 298.5282 -161417.9882 -109123.4817 299.4796 20.8488 48.4566 761903.0614 -9.9452 -9.7501 PRESSURE: 4017400 -215.343 -118.827 54.3954 -118.826 -358.442 -159.681 54.3949 -159.681 -54.6868 GPRESSURE: 4017400 -234.362 -212.312 87.4024 -78.1052 -225.977 -171.939 146.797 -40.5605 -68.6251 PRESSAVG: 4017400 -46.449 13.567 12.2193 13.567 14.8951 0.764958 12.2193 0.764938 4.37664 GPRESSAVG: 4017400 -47.3788 12.7041 12.1392 13.7445 15.3153 1.98955 11.9665 -2.03728 4.64435 TIMING: 4017400 CPU: 13017.9, 0.00314671/step Wall: 13017.9, 0.00314671/step, 0.858876 hours remaining, 235.804688 MB of memory in use. ENERGY: 4017400 3978.4046 20449.0169 14474.8970 257.0646 -203188.0736 2630.5121 0.0000 0.0000 51930.7891 -109467.3894 298.4470 -161398.1785 -109107.9939 299.1198 -209.4906 -176.3212 762265.6962 -9.0591 -9.1397 PRESSURE: 4017600 -211.77 96.7052 114.261 96.7051 181.893 292.5 114.262 292.498 -28.82 GPRESSURE: 4017600 -94.3612 101.776 115.725 46.5097 265.506 345.128 -43.9904 274.603 -131.804 PRESSAVG: 4017600 -4.78072 -30.6236 0.0438534 -30.6236 -4.66241 5.80882 0.0438429 5.80879 24.4691 GPRESSAVG: 4017600 -4.09694 -31.2202 -0.560553 -30.9916 -4.96232 3.52638 -2.22183 7.46364 24.4506 TIMING: 4017600 CPU: 13018.5, 0.00312952/step Wall: 13018.5, 0.00312952/step, 0.85401 hours remaining, 235.804688 MB of memory in use. ENERGY: 4017600 3979.1134 20374.9190 14470.1395 230.8925 -203251.8255 2558.6466 0.0000 0.0000 52078.0092 -109560.1052 299.2930 -161638.1144 -109199.3295 298.5670 -19.5657 13.1139 761362.5034 5.0087 5.1304 PRESSURE: 4017800 115.961 62.1558 160.82 62.1562 -161.33 -107.441 160.819 -107.441 -31.1106 GPRESSURE: 4017800 154.903 33.9434 149.553 254.24 -168.888 -219.053 186.032 1.11288 21.8752 PRESSAVG: 4017800 -18.9501 7.22592 -3.43897 7.22594 -38.5918 18.1972 -3.43898 18.1972 12.1339 GPRESSAVG: 4017800 -18.2708 9.18386 -3.93423 6.20111 -39.5931 18.3507 -0.481083 17.807 11.8401 TIMING: 4017800 CPU: 13019.2, 0.00312471/step Wall: 13019.2, 0.00312471/step, 0.852524 hours remaining, 235.804688 MB of memory in use. ENERGY: 4017800 3956.3948 20482.7885 14437.2450 246.1009 -203463.6097 2675.3915 0.0000 0.0000 52159.6622 -109506.0268 299.7623 -161665.6890 -109146.8745 299.1268 -25.4932 2.6299 761976.5240 -15.1360 -15.3413 PRESSURE: 4018000 118.26 -101.151 75.254 -101.151 24.6199 -87.8809 75.2541 -87.8809 -188.989 GPRESSURE: 4018000 132.74 6.34886 91.3517 -38.6597 103.38 -105.142 216.845 39.6518 -175.973 PRESSAVG: 4018000 -15.8009 -46.9526 31.4493 -46.9526 -12.7514 -10.7741 31.4494 -10.7741 1.13683 GPRESSAVG: 4018000 -15.3519 -46.9858 32.0335 -46.5393 -13.4535 -9.97491 30.3166 -13.5918 1.2598 TIMING: 4018000 CPU: 13019.8, 0.00310705/step Wall: 13019.8, 0.00310705/step, 0.847534 hours remaining, 235.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4018000 4007.9501 20541.7923 14506.3959 251.6027 -203756.7143 2686.2757 0.0000 0.0000 52326.2370 -109436.4606 300.7196 -161762.6976 -109070.2670 299.2177 -15.3697 20.0490 760907.8963 -9.1385 -9.1819 PRESSURE: 4018200 -198.282 -6.2423 48.2042 -6.24196 77.8905 258.446 48.2045 258.445 -51.9421 GPRESSURE: 4018200 -162.572 84.6926 7.35213 116.061 144.621 171.267 81.9486 350.206 -74.7234 PRESSAVG: 4018200 47.7111 20.4989 12.2084 20.4989 -29.9825 -14.5494 12.2084 -14.5494 4.99002 GPRESSAVG: 4018200 46.1296 22.5711 11.7942 19.7725 -29.1503 -15.0428 11.9066 -12.7673 5.22079 TIMING: 4018200 CPU: 13020.4, 0.00312104/step Wall: 13020.4, 0.00312104/step, 0.851178 hours remaining, 235.804688 MB of memory in use. ENERGY: 4018200 4012.4010 20561.3209 14493.2836 243.2155 -203386.9086 2550.6632 0.0000 0.0000 51974.1267 -109551.8977 298.6960 -161526.0244 -109194.8525 299.8596 -57.4444 -30.8913 761773.7318 7.5729 7.4000 PRESSURE: 4018400 -213.991 -166.884 125.04 -166.884 -89.5718 -42.3929 125.04 -42.3945 -204.536 GPRESSURE: 4018400 -264.898 -114.697 200.684 -103.882 -14.3181 -37.3349 98.4739 -53.1899 -145.61 PRESSAVG: 4018400 28.1436 8.24245 36.8134 8.24246 -53.108 7.52266 36.8134 7.52269 19.3839 GPRESSAVG: 4018400 27.7309 7.74443 36.2403 8.22256 -53.9743 8.8471 37.7414 7.31402 20.2752 TIMING: 4018400 CPU: 13021, 0.00313355/step Wall: 13021, 0.00313355/step, 0.854415 hours remaining, 236.007812 MB of memory in use. ENERGY: 4018400 4038.7503 20389.8277 14525.0792 239.3676 -203259.9360 2480.3087 0.0000 0.0000 52002.4179 -109584.1846 298.8586 -161586.6026 -109212.5239 299.1579 -169.3660 -141.6085 762113.9563 -1.8602 -1.9894 PRESSURE: 4018600 -262.792 140.694 204.19 140.694 -400.848 97.2854 204.19 97.2857 -152.303 GPRESSURE: 4018600 -244.25 78.3298 111.799 306.653 -307.853 29.8073 229.804 169.066 -188.383 PRESSAVG: 4018600 23.5653 6.2482 41.5977 6.24821 -28.0179 -29.5534 41.5977 -29.5535 0.360435 GPRESSAVG: 4018600 24.7699 5.07625 41.1242 6.61687 -27.1444 -31.1348 41.0604 -29.6967 -1.24643 TIMING: 4018600 CPU: 13021.7, 0.00311209/step Wall: 13021.7, 0.00311209/step, 0.84839 hours remaining, 236.007812 MB of memory in use. ENERGY: 4018600 4012.2189 20701.0505 14506.7188 236.9798 -203146.2711 2341.1699 0.0000 0.0000 51994.7346 -109353.3987 298.8145 -161348.1333 -108991.7129 299.4844 -271.9811 -246.8285 761255.0857 -1.3641 -1.2070 PRESSURE: 4018800 -115.065 209.071 15.1505 209.072 -306.116 -89.8489 15.151 -89.8493 30.1725 GPRESSURE: 4018800 -84.2596 68.7451 19.6042 113.493 -281.175 -38.5653 26.3583 -47.6733 71.9154 PRESSAVG: 4018800 93.5283 -35.8866 45.793 -35.8865 -111.824 25.6759 45.7931 25.6759 -25.2481 GPRESSAVG: 4018800 93.2245 -36.8359 46.0459 -34.5323 -111.911 25.8599 44.1793 24.8983 -24.4649 TIMING: 4018800 CPU: 13022.3, 0.00314275/step Wall: 13022.3, 0.00314275/step, 0.856574 hours remaining, 236.007812 MB of memory in use. ENERGY: 4018800 3992.5057 20596.0021 14526.3344 244.3120 -203180.0262 2511.9872 0.0000 0.0000 52154.8998 -109153.9849 299.7349 -161308.8847 -108790.8185 299.5881 -130.3364 -97.8399 760628.6718 -14.5145 -14.3839 PRESSURE: 4019000 -160.919 106.479 74.7737 106.479 -103.997 -166.196 74.7745 -166.195 89.0905 GPRESSURE: 4019000 -168.402 152.848 154.481 -32.2036 -39.2516 -181.811 30.3512 -112.701 114.264 PRESSAVG: 4019000 -23.3327 8.50213 4.88942 8.50216 -19.1484 50.4655 4.8895 50.4656 19.7562 GPRESSAVG: 4019000 -23.6362 8.82148 5.69453 7.5344 -18.5383 50.8237 8.03484 52.3607 19.7641 TIMING: 4019000 CPU: 13022.9, 0.00315917/step Wall: 13022.9, 0.00315917/step, 0.860873 hours remaining, 236.007812 MB of memory in use. ENERGY: 4019000 4030.5568 20631.1460 14566.2626 247.7693 -203250.6974 2274.2809 0.0000 0.0000 52105.7753 -109394.9065 299.4526 -161500.6818 -109019.9555 299.8269 -58.6086 -31.1301 761868.0415 -7.5749 -7.4701 PRESSURE: 4019200 -251.202 158.574 -183.275 158.573 -400.979 143.201 -183.275 143.201 -250.106 GPRESSURE: 4019200 -292.917 220.483 -178.422 130.785 -304.429 139.041 -57.6978 250.141 -188.774 PRESSAVG: 4019200 -18.242 -35.4019 56.5835 -35.4019 -38.7139 9.67823 56.5835 9.67817 -34.5129 GPRESSAVG: 4019200 -18.6854 -35.4738 55.7891 -36.2223 -39.6979 10.7815 55.9412 9.64169 -33.2415 TIMING: 4019200 CPU: 13023.5, 0.00313487/step Wall: 13023.5, 0.00313487/step, 0.854079 hours remaining, 236.007812 MB of memory in use. ENERGY: 4019200 4047.1206 20564.1061 14518.6922 246.8931 -203607.0688 2684.6994 0.0000 0.0000 52151.5873 -109393.9700 299.7159 -161545.5573 -109033.6862 299.5080 -300.7623 -262.0401 761203.1071 -30.4896 -30.5416 PRESSURE: 4019400 -109.017 -138.016 192.034 -138.017 65.9497 169.597 192.033 169.597 253.907 GPRESSURE: 4019400 76.2986 -199.064 162.701 -202.427 -5.03503 184.994 153.017 164.578 228.467 PRESSAVG: 4019400 29.3422 37.8876 15.7079 37.8876 -10.5522 65.2939 15.7078 65.2938 -4.52738 GPRESSAVG: 4019400 31.1664 37.3141 16.5389 40.154 -11.9308 65.4081 15.5443 66.0931 -5.26985 TIMING: 4019400 CPU: 13024.2, 0.00311881/step Wall: 13024.2, 0.00311881/step, 0.849528 hours remaining, 236.007812 MB of memory in use. ENERGY: 4019400 4047.6603 20566.5948 14527.2454 244.6488 -203438.1692 2652.9135 0.0000 0.0000 51792.1510 -109606.9553 297.6502 -161399.1063 -109239.9483 299.5657 70.2801 99.9101 761539.4181 4.7542 4.6552 PRESSURE: 4019600 181.912 90.8443 -228.247 90.8447 7.39853 -174.357 -228.247 -174.357 -206.553 GPRESSURE: 4019600 202.918 69.431 -183.6 127.535 78.1444 -204.994 -89.5599 -147.332 -227.584 PRESSAVG: 4019600 63.0728 -35.2398 0.65087 -35.2398 -44.0445 22.304 0.650903 22.304 -2.60264 GPRESSAVG: 4019600 62.8432 -34.9385 0.938169 -35.5491 -42.7141 21.6477 0.325978 22.3854 -3.59844 TIMING: 4019600 CPU: 13024.8, 0.00310867/step Wall: 13024.8, 0.00310867/step, 0.846594 hours remaining, 236.007812 MB of memory in use. ENERGY: 4019600 3994.3615 20548.7851 14531.2088 246.9929 -203382.8185 2556.8923 0.0000 0.0000 51921.1433 -109583.4346 298.3915 -161504.5779 -109227.9624 299.0724 -5.7474 17.8261 761481.2948 5.4752 5.5102 PRESSURE: 4019800 -105.23 -21.5252 120.937 -21.5255 -244.407 -18.9373 120.936 -18.9369 -122.23 GPRESSURE: 4019800 -22.2507 58.6616 148.009 -61.4724 -169.07 25.2974 53.0988 -13.9526 -183.124 PRESSAVG: 4019800 45.9854 38.714 1.28866 38.714 -17.8355 41.5051 1.28861 41.5052 17.3756 GPRESSAVG: 4019800 44.6947 39.4878 -0.235979 37.2886 -17.4615 42.7549 2.82606 39.6095 17.9884 TIMING: 4019800 CPU: 13025.4, 0.00311362/step Wall: 13025.4, 0.00311362/step, 0.84777 hours remaining, 236.007812 MB of memory in use. ENERGY: 4019800 4016.3247 20626.2642 14492.5818 244.6142 -203803.4477 2962.1715 0.0000 0.0000 52091.2748 -109370.2165 299.3693 -161461.4912 -109007.0869 299.1572 -157.2891 -124.8150 762974.5103 15.1752 15.0739 PRESSURE: 4020000 -317.433 -17.1027 200.766 -17.1021 -455.841 123.425 200.766 123.424 -413.26 GPRESSURE: 4020000 -295.167 28.4319 179.716 -27.5264 -420.548 151.474 251.73 70.3084 -388.273 PRESSAVG: 4020000 73.1547 21.2158 25.4913 21.2158 -56.7526 -11.0488 25.4913 -11.0487 17.2057 GPRESSAVG: 4020000 74.4027 20.0939 26.9874 22.2544 -56.551 -11.2606 25.207 -11.0774 16.9548 TIMING: 4020000 CPU: 13026, 0.00310969/step Wall: 13026, 0.00310969/step, 0.846526 hours remaining, 236.007812 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: 4020000 4011.2193 20494.1011 14427.2241 254.2143 -203305.3168 2332.5182 0.0000 0.0000 52308.2432 -109477.7965 300.6162 -161786.0397 -109104.5672 299.2930 -395.5114 -367.9960 762418.8259 11.2026 11.6022 PRESSURE: 4020200 76.0956 -21.2754 6.12075 -21.2753 -49.4064 -72.7646 6.12126 -72.7644 -457.752 GPRESSURE: 4020200 14.711 -60.8326 -35.6513 19.089 74.0323 27.1928 41.4531 -25.718 -439.044 PRESSAVG: 4020200 62.4471 -54.6377 12.1995 -54.6378 -7.5162 30.5128 12.1996 30.5129 -28.4845 GPRESSAVG: 4020200 62.8045 -55.8426 12.0196 -55.7629 -8.03105 29.8338 10.0646 31.3697 -27.8905 TIMING: 4020200 CPU: 13026.7, 0.00310578/step Wall: 13026.7, 0.00310578/step, 0.845289 hours remaining, 236.007812 MB of memory in use. ENERGY: 4020200 3995.9705 20537.6642 14489.6167 230.3486 -203049.4725 2407.7467 0.0000 0.0000 51938.2626 -109449.8632 298.4899 -161388.1258 -109094.2043 299.3505 -143.6876 -116.7670 762260.2785 8.8155 8.9610 LDB: ============= START OF LOAD BALANCING ============== 13039.1 LDB: ============== END OF LOAD BALANCING =============== 13039.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13039.1 LDB: ============= START OF LOAD BALANCING ============== 13039.4 LDB: Largest compute 7068 load 0.033553 is 17.1% of average load 0.195663 LDB: Average compute 0.004382 is 2.2% of average load 0.195663 LDB: TIME 13039.4 LOAD: AVG 0.195663 MAX 0.214438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.207 MB LDB: TIME 13039.4 LOAD: AVG 0.195663 MAX 0.214438 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: TIME 13039.4 LOAD: AVG 0.195663 MAX 0.214438 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: ============== END OF LOAD BALANCING =============== 13039.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13039.4 PRESSURE: 4020400 -353.927 -96.3109 113.999 -96.3108 -105.523 121.453 113.999 121.453 -533.32 GPRESSURE: 4020400 -409.694 -62.7967 116.748 -100.628 -9.92763 93.8559 66.5281 -90.2573 -487.348 PRESSAVG: 4020400 10.9607 27.7615 32.77 27.7615 -9.20688 -31.3699 32.7701 -31.3698 14.3205 GPRESSAVG: 4020400 8.96762 30.1112 32.4437 27.45 -8.46665 -31.9275 33.4642 -30.5435 15.2416 TIMING: 4020400 CPU: 13027.3, 0.00317896/step Wall: 13027.3, 0.00317896/step, 0.865031 hours remaining, 235.511719 MB of memory in use. ENERGY: 4020400 3995.0603 20416.9603 14568.7148 247.9345 -203253.5732 2552.2750 0.0000 0.0000 51983.6105 -109489.0179 298.7505 -161472.6284 -109112.1470 299.1118 -330.9233 -302.3232 762489.0182 5.3581 5.2475 PRESSURE: 4020600 157.886 -54.7937 -109.599 -54.7935 150.238 -105.066 -109.6 -105.065 180.224 GPRESSURE: 4020600 214.824 -233.927 -137.129 -63.7638 128.545 -174.229 117.031 -23.3514 236.951 PRESSAVG: 4020600 73.4198 0.122889 38.338 0.123022 -64.7962 6.55347 38.3379 6.55344 11.905 GPRESSAVG: 4020600 74.0277 -0.81328 37.7728 1.68538 -64.2204 6.53289 39.0164 6.84502 10.8095 TIMING: 4020600 CPU: 13027.9, 0.00312233/step Wall: 13027.9, 0.00312233/step, 0.849447 hours remaining, 235.773438 MB of memory in use. ENERGY: 4020600 4033.9484 20487.4507 14496.9317 267.2968 -203294.3427 2557.4756 0.0000 0.0000 52053.1898 -109398.0496 299.1504 -161451.2394 -109036.5083 299.2975 162.7826 193.4403 760438.2114 6.8429 6.8722 PRESSURE: 4020800 -4.79019 -173.675 46.6012 -173.675 -111.448 36.4726 46.6022 36.4731 -122.499 GPRESSURE: 4020800 42.3889 -85.1725 13.543 -142.549 -98.7955 125.601 -38.1968 46.1723 -66.5227 PRESSAVG: 4020800 59.9925 -60.6657 47.0026 -60.6657 -87.3733 10.4134 47.0026 10.4133 28.3244 GPRESSAVG: 4020800 60.5807 -60.3053 48.2897 -62.1653 -88.2373 10.8171 46.1331 9.74875 28.8923 TIMING: 4020800 CPU: 13028.5, 0.00313896/step Wall: 13028.5, 0.00313896/step, 0.853796 hours remaining, 235.843750 MB of memory in use. ENERGY: 4020800 3982.9749 20382.3782 14564.0433 219.7407 -203681.9535 2935.7415 0.0000 0.0000 51994.3481 -109602.7269 298.8122 -161597.0749 -109236.3717 299.1461 -79.5789 -40.9765 762823.2305 0.3146 0.4119 PRESSURE: 4021000 122.923 105.776 390.238 105.777 -421.465 -172.537 390.239 -172.537 -273.024 GPRESSURE: 4021000 69.5781 65.134 396.923 117.282 -261.869 -261.033 291.608 -130.799 -277.655 PRESSAVG: 4021000 18.6148 -48.6946 59.9193 -48.6947 -42.3978 16.2573 59.9193 16.2573 10.6039 GPRESSAVG: 4021000 18.778 -50.8664 59.3153 -47.4987 -42.3252 16.54 60.5095 17.8615 10.386 TIMING: 4021000 CPU: 13029.2, 0.0031256/step Wall: 13029.2, 0.0031256/step, 0.849989 hours remaining, 235.843750 MB of memory in use. ENERGY: 4021000 3950.6329 20593.4462 14531.6518 238.8010 -203325.1618 2617.7439 0.0000 0.0000 51821.7507 -109571.1354 297.8203 -161392.8861 -109209.6818 298.5547 -190.5219 -156.6489 763359.6644 -4.3930 -4.3870 PRESSURE: 4021200 -221.248 -300.583 26.4611 -300.583 30.603 -3.05909 26.4615 -3.05782 172.377 GPRESSURE: 4021200 -251.16 -276.89 -76.3752 -191.548 123.267 11.6637 68.6944 22.2488 197.357 PRESSAVG: 4021200 -8.4911 -35.8084 -5.74871 -35.8084 20.6091 -31.5394 -5.74873 -31.5394 1.83761 GPRESSAVG: 4021200 -8.52864 -32.2835 -6.15593 -37.5254 20.6923 -31.5511 -6.70544 -32.3731 1.88613 TIMING: 4021200 CPU: 13029.8, 0.00315849/step Wall: 13029.8, 0.00315849/step, 0.858759 hours remaining, 235.843750 MB of memory in use. ENERGY: 4021200 3991.8245 20560.5402 14504.3318 248.1969 -203874.0707 2913.6432 0.0000 0.0000 51995.7071 -109659.8269 298.8200 -161655.5340 -109300.8756 298.1572 -6.0891 23.1545 760294.5144 4.6519 4.6833 PRESSURE: 4021400 389.312 -186.429 -77.9917 -186.429 149.298 -93.3495 -77.9921 -93.3489 212.197 GPRESSURE: 4021400 453.849 -240.991 -67.7788 -88.3256 157.385 -135.162 64.8982 -171.746 212.933 PRESSAVG: 4021400 -47.3421 8.09153 -26.7013 8.09147 -12.4692 -39.7688 -26.7012 -39.7688 -1.65175 GPRESSAVG: 4021400 -47.2669 6.84802 -25.9337 8.2429 -12.9427 -39.2162 -24.3459 -42.7036 -0.896037 TIMING: 4021400 CPU: 13030.4, 0.003139/step Wall: 13030.4, 0.003139/step, 0.853284 hours remaining, 235.843750 MB of memory in use. ENERGY: 4021400 3836.8602 20572.7022 14462.4236 252.5690 -203422.8844 2709.4968 0.0000 0.0000 51921.6491 -109667.1835 298.3944 -161588.8326 -109303.2008 298.4855 250.2687 274.7221 761372.7320 -20.4877 -20.3685 PRESSURE: 4021600 182.996 -144.52 30.1209 -144.518 105.369 -69.4122 30.1212 -69.412 297.944 GPRESSURE: 4021600 194.027 -191.36 29.4275 -106.5 149.947 -39.3851 0.142554 30.5654 326 PRESSAVG: 4021600 9.69548 -36.0522 -30.3655 -36.0522 -22.1345 -16.3819 -30.3655 -16.3819 34.2342 GPRESSAVG: 4021600 10.4594 -36.0293 -30.5993 -35.5315 -21.4802 -17.7249 -30.7535 -11.4021 32.4282 TIMING: 4021600 CPU: 13031.1, 0.00312385/step Wall: 13031.1, 0.00312385/step, 0.848994 hours remaining, 235.843750 MB of memory in use. ENERGY: 4021600 3942.7861 20614.9556 14471.8871 266.9500 -203705.1897 2724.2319 0.0000 0.0000 51922.8475 -109761.5316 298.4013 -161684.3791 -109393.1710 298.8584 195.4363 223.3246 761196.3319 7.2651 7.1358 PRESSURE: 4021800 -253.669 83.8975 0.609507 83.8987 -174.424 384.389 0.60959 384.389 -71.484 GPRESSURE: 4021800 -188.155 152.72 92.9374 88.3472 -165.903 375.58 -76.1167 260.882 -68.4883 PRESSAVG: 4021800 -34.3281 -53.1692 -23.3152 -53.1692 -15.7994 -15.3142 -23.3151 -15.3142 -13.6528 GPRESSAVG: 4021800 -34.8899 -56.0553 -23.0451 -52.825 -16.2457 -12.9005 -24.5189 -18.9194 -12.983 TIMING: 4021800 CPU: 13031.7, 0.00312595/step Wall: 13031.7, 0.00312595/step, 0.849389 hours remaining, 235.843750 MB of memory in use. ENERGY: 4021800 4038.3101 20477.8208 14494.2389 251.7391 -203536.5313 2584.2041 0.0000 0.0000 51738.7549 -109951.4633 297.3433 -161690.2182 -109592.4414 298.6178 -166.5256 -140.8487 761850.4461 -21.2601 -21.3728 PRESSURE: 4022000 -77.2815 204.908 210.686 204.908 -43.9592 19.129 210.686 19.1296 -125.372 GPRESSURE: 4022000 -94.9918 134.15 156.982 204.452 -92.5554 4.02365 177.033 77.0652 5.76605 PRESSAVG: 4022000 -3.08457 -83.855 -33.6783 -83.8549 52.6417 8.54126 -33.6783 8.54121 8.69892 GPRESSAVG: 4022000 -2.18924 -81.8689 -33.8879 -85.3048 51.6868 6.02646 -33.0869 11.2814 9.01502 TIMING: 4022000 CPU: 13032.3, 0.00312473/step Wall: 13032.3, 0.00312473/step, 0.848886 hours remaining, 235.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4022000 3985.7578 20561.0822 14455.7819 241.0665 -203363.4902 2472.0003 0.0000 0.0000 51725.6332 -109922.1682 297.2679 -161647.8014 -109564.6011 297.9040 -82.2042 -60.5937 762821.0020 19.4187 19.5042 PRESSURE: 4022200 -100.845 -15.2032 -41.8727 -15.2026 -175.527 -47.2483 -41.8723 -47.248 -246.452 GPRESSURE: 4022200 -10.1234 -36.4363 -36.9983 -70.3394 -117.321 -18.7186 -99.9059 -140.076 -307.692 PRESSAVG: 4022200 -39.7194 -26.1703 38.6821 -26.1703 6.00565 20.563 38.6821 20.5629 32.0246 GPRESSAVG: 4022200 -40.5192 -25.6378 38.1222 -26.2879 8.10593 20.8119 37.306 19.2007 31.1278 TIMING: 4022200 CPU: 13032.9, 0.00313811/step Wall: 13032.9, 0.00313811/step, 0.852346 hours remaining, 235.843750 MB of memory in use. ENERGY: 4022200 3926.2928 20365.4961 14566.4392 261.8240 -203773.1267 2917.3614 0.0000 0.0000 51799.0329 -109936.6803 297.6898 -161735.7132 -109572.4269 297.5513 -174.2746 -145.0454 760659.7572 -0.5631 -0.4285 PRESSURE: 4022400 78.2181 -332.141 -304.44 -332.142 -43.3173 -127.377 -304.44 -127.375 -61.6149 GPRESSURE: 4022400 172.857 -309.02 -282.922 -225.257 -43.797 -123.416 -350.948 -68.1355 -65.3033 PRESSAVG: 4022400 22.725 -24.8679 32.7914 -24.868 -37.2462 34.9245 32.7914 34.9245 -9.9432 GPRESSAVG: 4022400 22.701 -26.0594 34.2526 -24.4001 -38.5539 36.622 33.6178 32.1017 -8.42306 TIMING: 4022400 CPU: 13033.6, 0.00313415/step Wall: 13033.6, 0.00313415/step, 0.851095 hours remaining, 235.843750 MB of memory in use. ENERGY: 4022400 3960.8566 20466.4515 14552.9357 247.0888 -203704.7053 2745.0062 0.0000 0.0000 51780.3606 -109952.0060 297.5824 -161732.3665 -109598.5774 297.8067 -8.9047 21.2522 760658.9600 -8.1548 -8.0920 PRESSURE: 4022600 -24.27 -85.8346 261.592 -85.8359 292.135 -81.6443 261.591 -81.6444 676.32 GPRESSURE: 4022600 68.6816 -76.0188 141.05 -87.1047 277.199 -52.1906 228.798 -46.7261 676.587 PRESSAVG: 4022600 20.9769 -112.756 51.1501 -112.756 -44.5698 7.01729 51.1501 7.01726 5.1869 GPRESSAVG: 4022600 21.6795 -112.042 48.7497 -112.659 -43.6535 7.01172 52.3337 9.86186 3.64443 TIMING: 4022600 CPU: 13034.2, 0.00311439/step Wall: 13034.2, 0.00311439/step, 0.845558 hours remaining, 235.843750 MB of memory in use. ENERGY: 4022600 3838.3112 20493.1059 14479.5394 256.8952 -203856.4567 2915.7799 0.0000 0.0000 51689.5551 -110183.2699 297.0606 -161872.8250 -109834.1604 297.3666 314.7284 340.8227 761065.0271 -6.1353 -6.1098 PRESSURE: 4022800 -9.66049 53.0671 -72.0343 53.0678 317.982 78.8401 -72.0348 78.8402 96.0098 GPRESSURE: 4022800 13.0118 81.8714 1.69319 -17.1259 344.969 -26.5242 -36.8741 71.3564 113.981 PRESSAVG: 4022800 -5.40209 -56.9816 66.6925 -56.9816 38.971 1.72872 66.6924 1.72876 -4.99148 GPRESSAVG: 4022800 -7.04266 -58.5627 66.4824 -54.2972 39.9242 0.266695 63.0696 3.01195 -4.89519 TIMING: 4022800 CPU: 13034.8, 0.00312183/step Wall: 13034.8, 0.00312183/step, 0.847403 hours remaining, 235.843750 MB of memory in use. ENERGY: 4022800 3876.8198 20390.8014 14465.1072 236.8869 -203562.6451 2803.6966 0.0000 0.0000 51575.0458 -110214.2873 296.4025 -161789.3331 -109856.7383 297.3194 134.7770 157.3205 762336.3333 9.5258 9.3288 PRESSURE: 4023000 -40.0819 -132.133 -130.083 -132.134 22.2942 38.1509 -130.084 38.1503 -45.6245 GPRESSURE: 4023000 -10.8567 -131.775 -113.758 -318.969 82.9432 81.6444 -160.798 2.96911 -17.6542 PRESSAVG: 4023000 -15.3804 -18.0862 -22.7019 -18.0862 6.08367 36.3364 -22.7019 36.3363 23.7207 GPRESSAVG: 4023000 -13.1289 -16.8196 -22.8627 -21.7509 4.26783 37.1519 -20.441 34.1442 23.6549 TIMING: 4023000 CPU: 13035.4, 0.00312447/step Wall: 13035.4, 0.00312447/step, 0.847946 hours remaining, 235.843750 MB of memory in use. ENERGY: 4023000 4029.0487 20438.7396 14435.6343 262.7299 -203195.6961 2465.5810 0.0000 0.0000 51592.8090 -109971.1535 296.5046 -161563.9625 -109615.4525 296.9752 -21.1374 18.1441 761623.0310 4.8080 4.9313 PRESSURE: 4023200 -142.765 -163.614 107.295 -163.614 -89.8908 78.3136 107.294 78.3131 150.099 GPRESSURE: 4023200 -26.587 -160.27 127.216 -133.376 -153.24 44.8918 90.7065 228.237 157.407 PRESSAVG: 4023200 38.0593 -17.8816 10.6578 -17.8816 -68.1178 -11.338 10.6578 -11.338 -0.698139 GPRESSAVG: 4023200 37.1266 -17.8981 10.9362 -15.8636 -67.6198 -11.2709 9.79839 -9.56705 0.118926 TIMING: 4023200 CPU: 13036.1, 0.00312426/step Wall: 13036.1, 0.00312426/step, 0.847715 hours remaining, 235.843750 MB of memory in use. ENERGY: 4023200 3937.4248 20468.9444 14505.9134 245.8579 -203170.2070 2478.5453 0.0000 0.0000 51938.9530 -109594.5681 298.4939 -161533.5212 -109240.4340 298.3419 -27.5192 -7.4735 761186.2819 -10.2522 -10.1248 PRESSURE: 4023400 -72.0091 -106.692 -28.5627 -106.692 -78.8267 -35.0948 -28.5623 -35.0932 132.268 GPRESSURE: 4023400 -57.6346 -153.515 12.8016 -129.81 -63.6811 11.6374 -19.5905 -53.551 181.226 PRESSAVG: 4023400 -0.672795 -23.899 40.4557 -23.899 -1.69145 16.1679 40.4557 16.168 -8.01798 GPRESSAVG: 4023400 -0.416367 -24.2507 41.9968 -25.2629 -2.37087 16.8774 39.7408 15.0525 -7.73466 TIMING: 4023400 CPU: 13036.7, 0.00310221/step Wall: 13036.7, 0.00310221/step, 0.84156 hours remaining, 235.843750 MB of memory in use. ENERGY: 4023400 3998.1968 20347.5099 14504.6989 253.1997 -203178.3044 2627.4420 0.0000 0.0000 51943.7734 -109503.4837 298.5216 -161447.2571 -109147.0461 298.6625 -6.1892 19.9702 762459.3001 -3.4607 -3.5073 PRESSURE: 4023600 -117.464 -16.4097 55.2915 -16.4091 -292.963 134.455 55.2912 134.456 -41.0052 GPRESSURE: 4023600 -47.9359 -0.757553 97.0851 -34.4021 -266.65 139.629 85.1414 108.925 -53.1331 PRESSAVG: 4023600 3.33674 -32.4075 10.5581 -32.4075 -18.3848 -10.7077 10.5581 -10.7076 13.2743 GPRESSAVG: 4023600 3.56074 -31.7425 11.0102 -30.885 -17.149 -11.8771 11.6991 -8.97772 12.844 TIMING: 4023600 CPU: 13037.3, 0.0031211/step Wall: 13037.3, 0.0031211/step, 0.846511 hours remaining, 235.843750 MB of memory in use. ENERGY: 4023600 3923.2389 20401.6236 14573.4684 234.1397 -203355.8840 2510.1243 0.0000 0.0000 51971.0381 -109742.2511 298.6783 -161713.2892 -109388.1973 298.2476 -150.4773 -122.5730 759834.1098 -0.5913 -0.2481 PRESSURE: 4023800 -85.8954 58.4438 112.922 58.4429 53.4592 -15.3704 112.922 -15.3701 114.628 GPRESSURE: 4023800 -75.5926 39.785 128.34 183.452 185.75 -56.0003 56.3872 -22.3557 58.3151 PRESSAVG: 4023800 70.1981 83.777 46.0521 83.777 -50.2833 -4.83087 46.0522 -4.83093 -0.133246 GPRESSAVG: 4023800 69.2677 84.0148 43.2184 84.0159 -49.4332 -4.9581 47.0067 -8.54671 -0.445288 TIMING: 4023800 CPU: 13037.9, 0.0031524/step Wall: 13037.9, 0.0031524/step, 0.854825 hours remaining, 235.843750 MB of memory in use. ENERGY: 4023800 3989.1251 20371.4853 14487.5817 243.5510 -203337.2286 2474.2319 0.0000 0.0000 52079.3279 -109691.9258 299.3006 -161771.2537 -109325.0812 297.9676 27.3973 56.1575 761725.7522 6.5939 6.4631 PRESSURE: 4024000 88.718 216.398 -3.11975 216.398 -284.531 -266.617 -3.11972 -266.618 -45.2833 GPRESSURE: 4024000 119.181 167.534 -108.109 201.949 -242.019 -240.562 -10.2421 -344.715 -44.3588 PRESSAVG: 4024000 48.4919 37.5299 30.7552 37.5299 -37.5811 1.91462 30.7552 1.91456 21.6984 GPRESSAVG: 4024000 49.0819 35.6346 31.8961 36.4031 -38.7822 3.94056 30.077 2.70765 21.5856 TIMING: 4024000 CPU: 13038.6, 0.00315105/step Wall: 13038.6, 0.00315105/step, 0.854286 hours remaining, 235.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4024000 3940.8908 20468.3368 14530.1502 243.5068 -203555.1881 2637.7480 0.0000 0.0000 52033.1246 -109701.4308 299.0351 -161734.5554 -109344.1574 298.5540 -80.3655 -55.7322 760845.1553 10.8697 10.6284 PRESSURE: 4024200 146.086 102.155 -63.1452 102.154 60.3086 170.751 -63.1447 170.752 -170.204 GPRESSURE: 4024200 218.973 117.946 6.34236 69.5087 56.5301 141.704 -88.8887 36.4113 -159.707 PRESSAVG: 4024200 24.9642 -4.45531 29.5027 -4.45536 -29.0375 -25.2709 29.5028 -25.271 15.4925 GPRESSAVG: 4024200 24.1636 -2.89827 29.5247 -3.79054 -28.442 -25.3484 29.1574 -26.9073 15.5227 TIMING: 4024200 CPU: 13039.2, 0.00312333/step Wall: 13039.2, 0.00312333/step, 0.846596 hours remaining, 235.843750 MB of memory in use. ENERGY: 4024200 4003.1670 20391.6069 14563.4917 243.3663 -203562.6808 2673.8110 0.0000 0.0000 51857.2663 -109829.9716 298.0244 -161687.2379 -109477.9457 298.3725 12.0636 38.5985 759753.8238 3.8064 3.7481 LDB: ============= START OF LOAD BALANCING ============== 13051.6 LDB: ============== END OF LOAD BALANCING =============== 13051.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13051.6 LDB: ============= START OF LOAD BALANCING ============== 13051.9 LDB: Largest compute 7068 load 0.033231 is 17.0% of average load 0.195652 LDB: Average compute 0.004394 is 2.2% of average load 0.195652 LDB: TIME 13051.9 LOAD: AVG 0.195652 MAX 0.214011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.941 MB LDB: TIME 13051.9 LOAD: AVG 0.195652 MAX 0.214011 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 13051.9 LOAD: AVG 0.195652 MAX 0.214011 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 13051.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13051.9 PRESSURE: 4024400 199.304 -11.3366 -57.1063 -11.3362 227.155 29.3619 -57.1058 29.3607 54.5267 GPRESSURE: 4024400 145.008 -51.7269 -25.7114 51.7564 306.987 59.0016 -91.9166 45.822 112.177 PRESSAVG: 4024400 0.198462 17.5714 19.5908 17.5714 -44.7838 16.3187 19.5908 16.3187 8.31172 GPRESSAVG: 4024400 0.288301 17.5092 20.4674 16.1567 -45.5507 15.6621 21.5105 18.4937 8.49525 TIMING: 4024400 CPU: 13039.8, 0.00319281/step Wall: 13039.8, 0.00319281/step, 0.865252 hours remaining, 234.359375 MB of memory in use. ENERGY: 4024400 3959.2889 20359.3187 14495.1510 247.7418 -203926.8937 3007.8462 0.0000 0.0000 52002.8596 -109854.6875 298.8611 -161857.5471 -109500.1447 298.2078 160.3284 188.0570 761203.3164 -12.0912 -12.2557 PRESSURE: 4024600 -118.15 -1.49505 -44.0944 -1.49596 32.0217 -64.5016 -44.0952 -64.5013 -60.5962 GPRESSURE: 4024600 -99.0135 74.907 -62.2437 83.3601 150.261 -98.269 -73.3996 -5.54857 -136.939 PRESSAVG: 4024600 -41.9402 13.5217 8.78987 13.5217 20.6441 -34.3443 8.78988 -34.3442 6.2429 GPRESSAVG: 4024600 -40.5588 14.6198 8.17538 13.4861 20.8124 -35.0305 9.00962 -35.8676 4.69282 TIMING: 4024600 CPU: 13040.5, 0.00312865/step Wall: 13040.5, 0.00312865/step, 0.847689 hours remaining, 234.503906 MB of memory in use. ENERGY: 4024600 3977.1660 20375.0653 14502.1857 241.5636 -203303.7035 2356.1085 0.0000 0.0000 51956.1051 -109895.5091 298.5925 -161851.6143 -109527.2841 298.2439 -48.9082 -28.5639 761738.0623 -5.0177 -5.0179 PRESSURE: 4024800 163.883 237.212 47.5309 237.212 -221.36 -2.54983 47.5307 -2.55067 -430.746 GPRESSURE: 4024800 231.436 281.304 89.1469 218.557 -199.263 -42.8969 -8.09197 -70.9221 -435.322 PRESSAVG: 4024800 39.3764 21.273 -2.18836 21.2731 -43.0466 13.9892 -2.18838 13.9891 22.8079 GPRESSAVG: 4024800 37.1196 19.2979 -1.20904 20.533 -41.6292 15.8358 -5.01473 13.4581 24.3494 TIMING: 4024800 CPU: 13041.1, 0.00311792/step Wall: 13041.1, 0.00311792/step, 0.844611 hours remaining, 234.699219 MB of memory in use. ENERGY: 4024800 4032.7007 20504.6128 14465.3750 257.9824 -203345.3697 2439.3326 0.0000 0.0000 51930.3955 -109714.9707 298.4447 -161645.3662 -109358.2623 298.6168 -162.7410 -134.3827 762273.7740 6.3792 6.6132 PRESSURE: 4025000 12.1939 113.088 107.878 113.088 62.0555 193.067 107.878 193.065 -250.966 GPRESSURE: 4025000 97.4149 85.5709 55.2978 47.051 50.7383 325.37 44.0493 164.861 -237.401 PRESSAVG: 4025000 7.69315 43.717 -15.8152 43.7171 -14.5348 38.6191 -15.8152 38.6191 -6.47207 GPRESSAVG: 4025000 8.8906 43.7628 -17.7219 44.8204 -14.9423 39.54 -13.4794 38.6436 -7.28903 TIMING: 4025000 CPU: 13041.7, 0.00311066/step Wall: 13041.7, 0.00311066/step, 0.84247 hours remaining, 234.699219 MB of memory in use. ENERGY: 4025000 4003.1599 20489.6173 14451.0443 250.7813 -203638.5531 2821.6061 0.0000 0.0000 51779.3841 -109842.9601 297.5768 -161622.3442 -109473.8196 298.2420 -58.9054 -29.7492 761135.0422 -4.4379 -4.4469 PRESSURE: 4025200 -202.686 94.6178 159 94.6167 -448.381 -55.7537 158.999 -55.7539 -5.33339 GPRESSURE: 4025200 -163.65 106.877 112.03 123.396 -373.331 -56.9873 89.6559 -33.1484 -37.7173 PRESSAVG: 4025200 -24.1056 34.0464 -13.5249 34.0464 11.5302 26.5465 -13.5249 26.5465 -25.2885 GPRESSAVG: 4025200 -24.4866 32.4878 -10.698 35.9573 11.5162 24.1917 -16.0364 27.5324 -25.2523 TIMING: 4025200 CPU: 13042.3, 0.00310775/step Wall: 13042.3, 0.00310775/step, 0.841508 hours remaining, 234.769531 MB of memory in use. ENERGY: 4025200 4032.1655 20559.8772 14484.9008 235.5708 -203755.3343 2811.4500 0.0000 0.0000 51710.8245 -109920.5456 297.1828 -161631.3700 -109559.7326 298.1843 -218.8001 -191.5662 762606.6886 -12.6213 -12.7409 PRESSURE: 4025400 -5.20246 60.1779 -4.91784 60.1782 9.23734 347.046 -4.91639 347.045 -194.217 GPRESSURE: 4025400 1.48378 134.105 -41.6393 52.425 13.2293 385.53 131.424 212.468 -118.422 PRESSAVG: 4025400 -21.2471 -4.88321 -68.3822 -4.8832 32.38 36.1735 -68.3822 36.1735 -17.4488 GPRESSAVG: 4025400 -20.2792 -2.41171 -71.8005 -7.08506 31.9675 39.1591 -63.9303 32.2199 -17.6548 TIMING: 4025400 CPU: 13042.9, 0.00310271/step Wall: 13042.9, 0.00310271/step, 0.839972 hours remaining, 234.769531 MB of memory in use. ENERGY: 4025400 4000.6874 20483.6447 14452.6606 255.5407 -203056.9611 2247.4534 0.0000 0.0000 51411.3192 -110205.6551 295.4616 -161616.9744 -109857.0549 297.9564 -63.3941 -34.5697 762089.4287 -2.1053 -1.9888 PRESSURE: 4025600 -176.109 102.613 -155.97 102.613 -15.0638 -345.967 -155.969 -345.968 -110.101 GPRESSURE: 4025600 -158.275 24.6396 -133.048 84.2929 55.7994 -339.017 -90.5567 -238.39 -121.689 PRESSAVG: 4025600 53.2676 -8.98836 -16.8371 -8.98834 -13.1986 -7.3528 -16.837 -7.35282 -1.29298 GPRESSAVG: 4025600 52.866 -10.4196 -14.8367 -8.52026 -12.192 -8.66485 -17.7227 -2.48552 -1.64379 TIMING: 4025600 CPU: 13043.6, 0.0031147/step Wall: 13043.6, 0.0031147/step, 0.843046 hours remaining, 234.769531 MB of memory in use. ENERGY: 4025600 4060.4189 20437.9299 14457.3032 253.9670 -203489.8032 2504.4367 0.0000 0.0000 51657.9974 -110117.7501 296.8792 -161775.7475 -109752.9819 297.3642 -100.4246 -74.7214 760316.9133 12.9253 13.0101 PRESSURE: 4025800 21.5483 -259.124 -50.3514 -259.124 -210.767 49.1214 -50.3519 49.121 -281.327 GPRESSURE: 4025800 93.8683 -316.182 12.1316 -208.35 -168.232 22.1463 -241.121 33.7834 -301.028 PRESSAVG: 4025800 18.4713 -21.9933 -65.6881 -21.9933 -6.55356 -8.16542 -65.6881 -8.16541 -17.2838 GPRESSAVG: 4025800 17.8858 -21.3233 -64.9961 -23.0701 -6.41911 -9.21314 -69.5455 -8.98164 -16.344 TIMING: 4025800 CPU: 13044.2, 0.00312127/step Wall: 13044.2, 0.00312127/step, 0.844651 hours remaining, 234.769531 MB of memory in use. ENERGY: 4025800 3958.3780 20484.9177 14437.2621 241.9667 -203363.2533 2549.7740 0.0000 0.0000 51819.6379 -109871.3170 297.8082 -161690.9548 -109498.0000 297.8273 -156.8486 -125.1307 761707.8418 -1.7887 -1.6258 PRESSURE: 4026000 138.909 -90.2254 86.9203 -90.225 -269.329 237.224 86.9193 237.223 39.341 GPRESSURE: 4026000 149.953 -144.276 94.8813 -73.8211 -193.833 139.565 10.7297 265.145 52.5686 PRESSAVG: 4026000 9.88322 -68.8996 -43.2727 -68.8997 -38.6459 21.8861 -43.2727 21.8861 -11.4791 GPRESSAVG: 4026000 9.86846 -69.6585 -43.5489 -67.6393 -38.7297 22.0785 -41.5147 22.2098 -11.4756 TIMING: 4026000 CPU: 13044.8, 0.00311192/step Wall: 13044.8, 0.00311192/step, 0.841946 hours remaining, 234.769531 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: 4026000 3991.5856 20415.3192 14492.2267 267.6839 -203420.0966 2450.6696 0.0000 0.0000 52119.4581 -109683.1534 299.5312 -161802.6115 -109311.0401 298.7432 -30.3599 2.8959 761098.7598 -13.4139 -13.4456 PRESSURE: 4026200 -383.074 -73.1467 -88.2723 -73.1475 -277.867 -76.7762 -88.2732 -76.7768 -313.786 GPRESSURE: 4026200 -390.09 -97.7134 -109.526 0.0203706 -160.566 -74.8655 -3.89362 26.1474 -329.917 PRESSAVG: 4026200 -32.9479 15.7955 14.1244 15.7955 30.3969 24.0873 14.1244 24.0873 19.2157 GPRESSAVG: 4026200 -32.5023 15.0416 12.4883 16.0596 31.0976 23.5709 15.5215 23.7367 18.6489 TIMING: 4026200 CPU: 13045.4, 0.00313379/step Wall: 13045.4, 0.00313379/step, 0.847692 hours remaining, 234.769531 MB of memory in use. ENERGY: 4026200 3940.8681 20447.1835 14519.5408 252.0554 -203233.2069 2217.6137 0.0000 0.0000 52036.4374 -109819.5078 299.0541 -161855.9452 -109456.0976 298.8420 -324.9091 -293.5242 760804.6152 5.5549 5.7481 PRESSURE: 4026400 -152.49 -89.1969 -210.755 -89.1961 75.0932 -104.004 -210.756 -104.004 27.3275 GPRESSURE: 4026400 -160.157 -56.8456 -140.965 -137.24 143.169 -197.213 -278.658 -60.7405 70.5816 PRESSAVG: 4026400 -8.0228 -29.7986 -16.2296 -29.7986 -17.3817 -17.7673 -16.2297 -17.7673 -20.8083 GPRESSAVG: 4026400 -9.59794 -27.4359 -15.8109 -30.6357 -16.8763 -18.3934 -15.5839 -17.9859 -20.301 TIMING: 4026400 CPU: 13046.1, 0.00312943/step Wall: 13046.1, 0.00312943/step, 0.846337 hours remaining, 234.769531 MB of memory in use. ENERGY: 4026400 3982.5216 20437.6681 14555.7865 265.3617 -203357.4161 2509.7056 0.0000 0.0000 51813.1563 -109793.2164 297.7709 -161606.3727 -109438.7068 298.5426 -16.6898 17.8648 761661.6248 -15.4043 -15.5917 PRESSURE: 4026600 -31.9944 103.335 -9.09122 103.337 242.299 -52.835 -9.09086 -52.8361 357.748 GPRESSURE: 4026600 10.9378 68.6382 43.7591 53.7162 198.939 -16.8232 -24.4647 -21.6954 417.431 PRESSAVG: 4026600 -41.4087 -35.728 17.9347 -35.7279 26.0111 17.4294 17.9347 17.4294 -18.7833 GPRESSAVG: 4026600 -39.7903 -36.2381 18.49 -36.3621 24.2037 19.4591 16.6226 17.6673 -18.6607 TIMING: 4026600 CPU: 13046.7, 0.0031398/step Wall: 13046.7, 0.0031398/step, 0.848967 hours remaining, 234.769531 MB of memory in use. ENERGY: 4026600 3962.2540 20632.2801 14466.0824 261.5243 -203751.2628 2914.2350 0.0000 0.0000 51737.5875 -109777.2995 297.3366 -161514.8870 -109423.3122 298.2871 189.3510 209.1026 761643.6920 -11.3936 -11.4158 PRESSURE: 4026800 -53.839 343.537 -46.2737 343.536 -44.888 -56.1277 -46.2743 -56.1282 396.127 GPRESSURE: 4026800 39.824 305.853 -57.3503 201.351 -47.8482 -16.1454 -40.5227 46.877 376.159 PRESSAVG: 4026800 22.6662 19.541 -30.2246 19.541 -23.1175 15.5207 -30.2245 15.5207 11.0879 GPRESSAVG: 4026800 22.3498 18.8121 -29.9339 18.3035 -24.2776 15.8327 -30.6665 12.9777 12.0334 TIMING: 4026800 CPU: 13047.3, 0.00310452/step Wall: 13047.3, 0.00310452/step, 0.839254 hours remaining, 234.769531 MB of memory in use. ENERGY: 4026800 4045.5423 20456.3374 14555.5242 258.7801 -204039.6594 3043.0936 0.0000 0.0000 52031.8227 -109648.5592 299.0276 -161680.3819 -109285.5940 298.6311 99.1334 122.7114 762674.2621 3.5455 3.3685 PRESSURE: 4027000 -56.3612 141.978 182.687 141.978 -412.726 52.7354 182.687 52.7349 252.542 GPRESSURE: 4027000 -159.412 78.0053 207.047 70.4753 -262.756 100.42 96.3125 33.6719 285.209 PRESSAVG: 4027000 17.4659 -5.82344 -29.7239 -5.82343 -51.4246 -4.4116 -29.724 -4.41165 -15.1029 GPRESSAVG: 4027000 15.5212 -5.25683 -29.4336 -4.60862 -48.7345 -5.20126 -30.7458 -3.24035 -15.702 TIMING: 4027000 CPU: 13047.9, 0.00313188/step Wall: 13047.9, 0.00313188/step, 0.846477 hours remaining, 234.769531 MB of memory in use. ENERGY: 4027000 4011.3423 20527.9273 14514.7830 246.6055 -203241.1554 2521.8516 0.0000 0.0000 52023.2764 -109395.3692 298.9785 -161418.6457 -109026.2404 299.1797 -72.1819 -45.6529 762321.2163 -16.3539 -16.3051 PRESSURE: 4027200 113.351 87.6274 2.37876 87.6277 -191.917 43.9277 2.37921 43.9281 -65.4278 GPRESSURE: 4027200 114.776 200.382 -52.0074 1.81279 -112.35 40.5072 -41.7973 117.513 -65.445 PRESSAVG: 4027200 58.7182 48.9319 -8.46767 48.9319 9.08812 -46.6837 -8.4677 -46.6838 20.1724 GPRESSAVG: 4027200 60.012 48.8418 -11.3802 50.3917 7.25384 -47.2464 -5.32296 -44.9707 20.8204 TIMING: 4027200 CPU: 13048.6, 0.00312694/step Wall: 13048.6, 0.00312694/step, 0.844968 hours remaining, 234.769531 MB of memory in use. ENERGY: 4027200 3975.4620 20558.1334 14492.3204 257.8048 -203620.8836 2720.1422 0.0000 0.0000 52249.3561 -109367.6648 300.2778 -161617.0209 -109007.0144 299.5057 -47.9979 -21.0065 762089.7540 29.3263 29.3621 PRESSURE: 4027400 -88.502 -57.5455 -72.9857 -57.5456 -141.679 -446.674 -72.9856 -446.673 -469.464 GPRESSURE: 4027400 -144.538 -56.1996 23.4518 27.1591 -45.9087 -496.776 -24.7351 -396.2 -421.922 PRESSAVG: 4027400 -34.8474 31.8254 -39.6429 31.8253 6.62017 -25.7987 -39.6429 -25.7987 -14.3191 GPRESSAVG: 4027400 -35.1591 32.2307 -36.5943 31.6759 7.77264 -25.7418 -43.2091 -26.5066 -15.1617 TIMING: 4027400 CPU: 13049.2, 0.00311538/step Wall: 13049.2, 0.00311538/step, 0.841671 hours remaining, 234.769531 MB of memory in use. ENERGY: 4027400 4023.9745 20555.4224 14537.3786 246.9534 -203594.5578 2799.7461 0.0000 0.0000 52043.6692 -109387.4138 299.0957 -161431.0830 -109025.3537 299.2958 -233.2152 -204.1228 764225.0095 -14.1821 -14.1827 PRESSURE: 4027600 238.939 -106.642 -120.568 -106.642 62.4912 67.4427 -120.567 67.4434 129.998 GPRESSURE: 4027600 339.679 -18.3897 -172.28 -67.9875 94.9171 41.9605 -9.02435 76.0188 78.4739 PRESSAVG: 4027600 -77.8741 22.341 -30.0828 22.3411 39.9126 -17.0934 -30.0828 -17.0934 -33.3527 GPRESSAVG: 4027600 -77.8393 20.3733 -30.3616 21.9919 39.6308 -16.8076 -29.3991 -17.6859 -33.2645 TIMING: 4027600 CPU: 13049.8, 0.00312164/step Wall: 13049.8, 0.00312164/step, 0.84319 hours remaining, 234.769531 MB of memory in use. ENERGY: 4027600 3962.6264 20671.1034 14512.4348 251.4128 -203872.0482 2874.6666 0.0000 0.0000 51931.0580 -109668.7463 298.4485 -161599.8042 -109306.0185 299.0094 143.8095 171.0232 762970.3844 -23.7714 -23.8243 PRESSURE: 4027800 392.168 132.435 67.2221 132.435 163.208 -114.881 67.2216 -114.88 -122.853 GPRESSURE: 4027800 395.156 205.777 5.65175 38.4522 177.691 -88.4735 127.367 -16.5036 -73.9628 PRESSAVG: 4027800 -0.114679 32.8327 -51.2469 32.8327 -2.82582 -31.6971 -51.2469 -31.6971 -2.08925 GPRESSAVG: 4027800 0.638748 34.4404 -52.7541 32.9108 -3.99291 -32.5191 -48.9585 -32.3482 -1.54303 TIMING: 4027800 CPU: 13050.4, 0.00313583/step Wall: 13050.4, 0.00313583/step, 0.846849 hours remaining, 234.769531 MB of memory in use. ENERGY: 4027800 3972.9182 20495.7193 14526.2063 240.9593 -204054.7448 3111.0789 0.0000 0.0000 51916.9410 -109790.9217 298.3674 -161707.8628 -109422.3095 298.3411 144.1742 166.2945 761888.4984 -1.6766 -1.6324 PRESSURE: 4028000 142.077 -323.67 -36.0533 -323.669 -169.249 -180.443 -36.0535 -180.443 135.642 GPRESSURE: 4028000 286.256 -287.649 31.875 -328.565 -178.66 -169.717 0.0607915 -123.606 90.1599 PRESSAVG: 4028000 51.8154 36.1521 -24.7779 36.1521 -40.3825 -28.3742 -24.7779 -28.3742 -16.0675 GPRESSAVG: 4028000 51.6122 35.7793 -23.3729 35.8016 -40.3351 -28.3401 -25.0475 -25.3072 -15.7113 TIMING: 4028000 CPU: 13051.1, 0.00311622/step Wall: 13051.1, 0.00311622/step, 0.841379 hours remaining, 234.769531 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: 4028000 4015.3477 20690.8665 14544.8934 235.8859 -203821.0241 2902.5193 0.0000 0.0000 51978.6952 -109452.8162 298.7223 -161431.5113 -109090.2004 298.7572 36.1567 65.9188 762159.6375 -1.5449 -1.4781 PRESSURE: 4028200 -235.488 237.054 76.1546 237.055 159.925 -33.7974 76.1547 -33.7983 -91.0734 GPRESSURE: 4028200 -209.189 183.751 72.9174 237.862 201.897 -51.7741 80.1616 -16.9678 -62.4281 PRESSAVG: 4028200 36.3978 18.1456 -37.7044 18.1457 -71.6409 -0.394621 -37.7044 -0.394611 -0.867185 GPRESSAVG: 4028200 36.5547 18.3756 -37.614 19.576 -71.6984 -0.485761 -38.8335 -1.96549 -1.08586 TIMING: 4028200 CPU: 13051.7, 0.00312241/step Wall: 13051.7, 0.00312241/step, 0.842877 hours remaining, 234.769531 MB of memory in use. ENERGY: 4028200 4053.2050 20656.9103 14425.0904 261.2044 -203903.3795 3090.4834 0.0000 0.0000 52165.3581 -109251.1280 299.7950 -161416.4861 -108881.3259 299.7697 -55.5454 -23.2401 763524.7407 -12.0368 -12.0765 LDB: ============= START OF LOAD BALANCING ============== 13064.1 LDB: ============== END OF LOAD BALANCING =============== 13064.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13064.1 LDB: ============= START OF LOAD BALANCING ============== 13064.4 LDB: Largest compute 7078 load 0.036336 is 18.6% of average load 0.195578 LDB: Average compute 0.004393 is 2.2% of average load 0.195578 LDB: TIME 13064.4 LOAD: AVG 0.195578 MAX 0.217613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 13064.4 LOAD: AVG 0.195578 MAX 0.217613 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 13064.4 LOAD: AVG 0.195578 MAX 0.217613 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 13064.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13064.4 PRESSURE: 4028400 137.108 156.812 -67.3255 156.811 -90.2274 1.71433 -67.3253 1.71433 64.5783 GPRESSURE: 4028400 176.802 98.5616 -7.61242 261.902 -80.6789 46.2617 -121.949 -44.6648 104.729 PRESSAVG: 4028400 4.41896 -4.44623 16.7642 -4.44625 -43.8479 -27.6943 16.7642 -27.6943 2.09219 GPRESSAVG: 4028400 2.79697 -5.38773 17.581 -5.57709 -42.462 -27.5624 15.9187 -25.5836 2.06839 TIMING: 4028400 CPU: 13052.3, 0.00318145/step Wall: 13052.3, 0.00318145/step, 0.858637 hours remaining, 235.394531 MB of memory in use. ENERGY: 4028400 3980.4901 20471.0886 14515.9306 267.2821 -203779.6070 3007.6515 0.0000 0.0000 52169.6565 -109367.5076 299.8197 -161537.1641 -108997.3379 299.3600 37.1530 66.9507 761978.5010 -12.4456 -12.5322 PRESSURE: 4028600 -256.355 78.8829 121.005 78.8828 142.78 -19.6018 121.005 -19.6008 -393.227 GPRESSURE: 4028600 -84.4241 114.855 133.638 -12.3091 98.0551 -39.5785 122.1 -73.3065 -418.78 PRESSAVG: 4028600 -35.991 38.6507 -32.2913 38.6507 18.6773 0.048824 -32.2914 0.048858 -4.85968 GPRESSAVG: 4028600 -33.1855 39.0768 -31.982 38.1808 17.0175 -0.274584 -30.3882 -3.55191 -5.82483 TIMING: 4028600 CPU: 13053, 0.00314284/step Wall: 13053, 0.00314284/step, 0.848044 hours remaining, 235.597656 MB of memory in use. ENERGY: 4028600 4106.3831 20539.2312 14570.7604 257.5800 -203645.4936 2923.9220 0.0000 0.0000 51977.2216 -109270.3953 298.7138 -161247.6168 -108907.6979 299.8242 -168.9340 -135.0496 762382.5393 -7.3911 -7.3309 PRESSURE: 4028800 97.8749 15.6581 -81.8328 15.6582 -287.867 -149.81 -81.8327 -149.809 149.582 GPRESSURE: 4028800 47.5022 -60.8551 -112.099 53.5583 -183.962 -111.254 -55.8279 -98.2689 190.842 PRESSAVG: 4028800 7.7702 -80.7202 -21.7554 -80.7202 -2.33551 16.2694 -21.7554 16.2694 -5.47259 GPRESSAVG: 4028800 6.90878 -81.3043 -23.5504 -81.3441 -1.91092 16.6053 -22.0299 17.659 -4.6454 TIMING: 4028800 CPU: 13053.6, 0.00314574/step Wall: 13053.6, 0.00314574/step, 0.848651 hours remaining, 235.597656 MB of memory in use. ENERGY: 4028800 4044.1474 20679.8231 14483.5493 248.4976 -204126.7874 3195.0658 0.0000 0.0000 52084.6456 -109391.0587 299.3312 -161475.7043 -109031.1084 299.4488 -13.4700 18.1275 762371.3223 -0.0126 0.1175 PRESSURE: 4029000 -114.766 -90.2397 -4.94478 -90.2403 39.5924 42.6267 -4.94518 42.6262 60.2785 GPRESSURE: 4029000 -30.0243 -199.698 -4.46386 -83.9844 -54.5689 59.809 -72.3555 -25.2589 137.173 PRESSAVG: 4029000 22.3154 -36.4514 -22.5338 -36.4514 19.0364 -46.1534 -22.5339 -46.1534 -15.0052 GPRESSAVG: 4029000 21.1485 -36.7977 -19.4041 -34.9891 19.6625 -46.5567 -23.7174 -46.2636 -14.4336 TIMING: 4029000 CPU: 13054.2, 0.00316406/step Wall: 13054.2, 0.00316406/step, 0.853419 hours remaining, 235.597656 MB of memory in use. ENERGY: 4029000 3989.2475 20618.8171 14471.2493 259.0862 -203656.6195 2812.3874 0.0000 0.0000 52126.7443 -109379.0877 299.5731 -161505.8320 -109022.7581 299.4283 -4.9650 17.5264 763203.5621 8.7822 8.7924 PRESSURE: 4029200 230.784 94.6679 98.059 94.6685 194.332 185.009 98.0596 185.009 310.292 GPRESSURE: 4029200 271.953 71.1302 57.1176 58.5836 249.257 73.7392 77.4236 196.455 313.404 PRESSAVG: 4029200 -20.258 -5.96629 45.7004 -5.9663 26.4739 -19.4695 45.7004 -19.4696 11.2192 GPRESSAVG: 4029200 -19.5267 -4.90474 43.5906 -7.66678 25.2033 -19.6658 45.2162 -18.7505 11.0055 TIMING: 4029200 CPU: 13054.8, 0.00316451/step Wall: 13054.8, 0.00316451/step, 0.853362 hours remaining, 235.597656 MB of memory in use. ENERGY: 4029200 4019.4044 20532.5852 14469.1185 240.2290 -203128.3973 2621.7131 0.0000 0.0000 51742.0878 -109503.2594 297.3625 -161245.3472 -109150.2457 298.7998 245.1359 278.2048 763001.6627 5.8117 5.5607 PRESSURE: 4029400 -342.242 21.7647 176.709 21.7638 -333.1 135.677 176.709 135.676 -122.523 GPRESSURE: 4029400 -327.204 -67.5681 115.724 15.4645 -343.463 194.604 297.521 197.734 -75.3558 PRESSAVG: 4029400 -6.85215 -39.9215 -24.819 -39.9215 -33.4624 -48.1806 -24.819 -48.1806 9.38247 GPRESSAVG: 4029400 -7.93239 -40.2722 -25.1288 -38.9657 -32.5669 -48.9646 -25.68 -49.3388 9.46189 TIMING: 4029400 CPU: 13055.5, 0.0031649/step Wall: 13055.5, 0.0031649/step, 0.853292 hours remaining, 235.722656 MB of memory in use. ENERGY: 4029400 4028.1257 20477.2181 14620.7447 261.7755 -202962.3227 2427.9545 0.0000 0.0000 51554.8124 -109591.6917 296.2862 -161146.5041 -109228.1600 297.7797 -265.9553 -248.6743 762896.3203 -10.3107 -10.3458 PRESSURE: 4029600 -103.285 -31.996 12.2228 -31.996 -255.371 91.447 12.2237 91.4471 -325.401 GPRESSURE: 4029600 -88.1611 -47.9189 95.7018 -157.494 -204.797 99.7939 48.571 -26.6631 -303.512 PRESSAVG: 4029600 -5.02872 -41.2226 27.6923 -41.2226 29.5102 46.2453 27.6923 46.2454 -10.6874 GPRESSAVG: 4029600 -4.06151 -41.6404 29.9075 -41.6977 28.9289 47.3903 29.2699 45.635 -10.4751 TIMING: 4029600 CPU: 13056.1, 0.00314343/step Wall: 13056.1, 0.00314343/step, 0.84733 hours remaining, 235.722656 MB of memory in use. ENERGY: 4029600 4003.6180 20527.0986 14529.3169 244.5848 -203134.6421 2534.3769 0.0000 0.0000 51774.5570 -109521.0898 297.5491 -161295.6469 -109159.2472 298.6034 -228.0191 -198.8233 764643.4087 4.5980 4.7974 PRESSURE: 4029800 223.146 159.8 -6.4364 159.8 -104.589 122.938 -6.4372 122.937 251.154 GPRESSURE: 4029800 224.853 108.009 28.4369 253.401 -66.7317 101.437 -4.23437 129.429 300.386 PRESSAVG: 4029800 35.5643 -60.752 23.7717 -60.7521 -67.5408 1.03378 23.7717 1.0338 12.7589 GPRESSAVG: 4029800 35.5753 -60.0022 22.6063 -61.5537 -66.3971 0.882546 22.5164 1.30148 11.8036 TIMING: 4029800 CPU: 13056.7, 0.00318025/step Wall: 13056.7, 0.00318025/step, 0.857077 hours remaining, 235.722656 MB of memory in use. ENERGY: 4029800 3973.0730 20616.1189 14519.2689 264.0719 -203458.1082 2896.8022 0.0000 0.0000 51748.0087 -109440.7646 297.3965 -161188.7733 -109086.3905 298.4241 123.2368 152.8359 761851.1404 -6.4059 -6.3394 PRESSURE: 4030000 236.385 -93.4186 137.725 -93.4182 134.212 -336.216 137.725 -336.215 501.443 GPRESSURE: 4030000 182.483 -142.662 136.158 45.8092 214.665 -262.248 200.967 -346.96 564.186 PRESSAVG: 4030000 10.8006 3.07707 79.2743 3.07706 -8.5445 3.3101 79.2744 3.3101 -0.403241 GPRESSAVG: 4030000 10.7053 4.40088 79.6638 3.64181 -9.54514 2.11419 80.7981 3.35862 0.982878 TIMING: 4030000 CPU: 13057.4, 0.00315759/step Wall: 13057.4, 0.00315759/step, 0.850795 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4030000 3913.3753 20488.2697 14432.5093 267.4497 -203551.0638 3146.2434 0.0000 0.0000 52200.8000 -109102.4165 299.9987 -161303.2165 -108750.5395 299.1279 290.6800 320.4445 763346.4910 0.6176 0.7144 PRESSURE: 4030200 -9.72681 -123.405 34.712 -123.404 159.047 -140.174 34.7128 -140.174 -41.9951 GPRESSURE: 4030200 98.7299 -115.579 42.2503 -122.756 51.6129 -105.321 -70.4078 -171.826 24.4632 PRESSAVG: 4030200 -15.3025 -71.9068 60.8093 -71.9069 -32.2651 -24.0695 60.8093 -24.0694 18.0221 GPRESSAVG: 4030200 -15.7955 -74.7111 59.372 -71.6351 -31.1595 -23.9029 60.8149 -24.0832 17.0216 TIMING: 4030200 CPU: 13058, 0.00317161/step Wall: 13058, 0.00317161/step, 0.854397 hours remaining, 235.921875 MB of memory in use. ENERGY: 4030200 4051.5812 20366.7623 14519.1876 238.5912 -203346.6438 2786.7057 0.0000 0.0000 52029.1994 -109354.6162 299.0125 -161383.8157 -109003.7634 299.4079 35.7750 58.2687 762635.1553 -9.8485 -9.9778 PRESSURE: 4030400 15.3421 -183.838 -255.166 -183.838 160.621 7.57935 -255.165 7.58087 -319.947 GPRESSURE: 4030400 95.117 -215.07 -182.58 31.3628 157.442 5.62464 -111.566 -12.8962 -316.019 PRESSAVG: 4030400 12.2856 -54.3538 -34.8305 -54.3538 -4.81286 -8.53588 -34.8305 -8.53586 -9.86487 GPRESSAVG: 4030400 11.3932 -54.6158 -32.5708 -54.6682 -5.24508 -7.552 -34.9516 -8.62867 -9.17701 TIMING: 4030400 CPU: 13058.6, 0.0031568/step Wall: 13058.6, 0.0031568/step, 0.850233 hours remaining, 235.921875 MB of memory in use. ENERGY: 4030400 4062.6293 20482.6974 14467.6027 247.9107 -203310.6314 2675.8708 0.0000 0.0000 51994.2022 -109379.7183 298.8114 -161373.9204 -109021.8579 299.0285 -47.9945 -21.1532 762520.1270 -0.7974 -1.0096 PRESSURE: 4030600 113.205 162.316 -72.8785 162.316 22.7494 -171.128 -72.8788 -171.128 -129.907 GPRESSURE: 4030600 119.142 224.432 -58.776 161.643 121.703 -183 -172.469 -166.251 -135.203 PRESSAVG: 4030600 36.3087 23.5747 -26.461 23.5747 -42.8167 -7.36792 -26.4609 -7.36789 -16.1484 GPRESSAVG: 4030600 36.2218 22.7237 -29.2827 24.4698 -42.3275 -7.99781 -26.3193 -7.07838 -16.798 TIMING: 4030600 CPU: 13059.3, 0.00315637/step Wall: 13059.3, 0.00315637/step, 0.849939 hours remaining, 235.921875 MB of memory in use. ENERGY: 4030600 4054.1718 20507.4720 14435.9781 245.3418 -203151.1974 2495.4045 0.0000 0.0000 51937.1937 -109475.6355 298.4838 -161412.8292 -109108.2482 299.1917 2.0160 35.2138 761952.2120 -7.5521 -7.6345 PRESSURE: 4030800 294.301 19.0692 -181.582 19.0693 219.331 167.019 -181.582 167.019 66.9175 GPRESSURE: 4030800 241.193 -24.8918 -244.54 -61.8981 246.296 238.536 -180.198 -33.8543 161.606 PRESSAVG: 4030800 61.8734 -33.8449 6.32952 -33.8449 -34.1288 -62.8536 6.3296 -62.8536 -19.4938 GPRESSAVG: 4030800 61.7537 -33.3156 7.37531 -33.9234 -35.0582 -60.6378 4.22001 -63.8497 -18.6658 TIMING: 4030800 CPU: 13059.9, 0.0031718/step Wall: 13059.9, 0.0031718/step, 0.85392 hours remaining, 235.921875 MB of memory in use. ENERGY: 4030800 4014.0049 20555.1592 14547.3470 241.7341 -203452.0327 2834.4336 0.0000 0.0000 51931.8101 -109327.5437 298.4528 -161259.3538 -108968.8321 298.8041 193.5168 216.3652 760593.8600 2.7503 2.6765 PRESSURE: 4031000 82.0289 191.727 62.7413 191.726 -125.891 -229.717 62.7427 -229.717 -233.849 GPRESSURE: 4031000 91.9728 126.829 28.2122 147.659 -118.578 -244.818 58.27 -284.135 -147.029 PRESSAVG: 4031000 36.6767 -34.8523 -70.2 -34.8522 -8.33735 9.079 -70.2 9.07893 -1.30768 GPRESSAVG: 4031000 35.9538 -34.8989 -69.956 -35.2435 -7.02637 6.61821 -70.1797 11.1863 -1.10519 TIMING: 4031000 CPU: 13060.5, 0.00314189/step Wall: 13060.5, 0.00314189/step, 0.845692 hours remaining, 235.921875 MB of memory in use. ENERGY: 4031000 4006.1304 20595.8278 14464.4567 233.3394 -203071.5817 2474.7038 0.0000 0.0000 52076.2306 -109220.8929 299.2828 -161297.1235 -108857.8981 299.3164 -92.5706 -57.8782 762261.4281 9.0106 9.2741 PRESSURE: 4031200 57.7216 16.536 -87.276 16.5364 -308.966 -131.777 -87.2757 -131.777 305.305 GPRESSURE: 4031200 127.385 87.3169 -33.7218 31.8419 -272.972 -150.779 14.8824 -241.512 283.604 PRESSAVG: 4031200 51.9627 -2.21145 -35.7647 -2.21139 -17.9145 8.27081 -35.7647 8.27087 20.4035 GPRESSAVG: 4031200 53.0703 -2.18923 -35.1039 -2.42722 -18.2492 8.62474 -35.9983 7.6662 19.1214 TIMING: 4031200 CPU: 13061.2, 0.00317806/step Wall: 13061.2, 0.00317806/step, 0.855251 hours remaining, 235.921875 MB of memory in use. ENERGY: 4031200 3997.6690 20506.5209 14549.7554 251.6883 -203033.6407 2432.9306 0.0000 0.0000 52143.1621 -109151.9144 299.6675 -161295.0765 -108791.2567 299.7245 18.0204 46.0057 762045.3632 18.1506 17.9808 PRESSURE: 4031400 -31.0392 -62.9509 29.0366 -62.9506 -17.74 -59.5673 29.0376 -59.5663 -50.3769 GPRESSURE: 4031400 -54.9724 -66.0456 -18.7041 -165.172 74.4927 -108.363 81.7707 27.2928 -20.4616 PRESSAVG: 4031400 -19.4851 -5.13977 -6.41209 -5.13974 4.92067 29.9532 -6.41205 29.9532 -9.43851 GPRESSAVG: 4031400 -20.0294 -2.63475 -7.30548 -5.51511 5.02741 31.3214 -5.19294 27.1365 -8.84638 TIMING: 4031400 CPU: 13061.8, 0.00315142/step Wall: 13061.8, 0.00315142/step, 0.847908 hours remaining, 235.921875 MB of memory in use. ENERGY: 4031400 4033.0311 20540.2833 14573.3520 261.0208 -202820.3511 2348.7545 0.0000 0.0000 52293.8699 -108770.0395 300.5336 -161063.9094 -108393.8387 299.9320 -33.0520 -0.3138 761779.2910 -8.0010 -7.9495 PRESSURE: 4031600 216.75 -316.563 48.6147 -316.564 -138.865 102.377 48.6144 102.378 -354.632 GPRESSURE: 4031600 250.993 -302.083 42.8641 -278.702 -116.169 170.437 69.651 15.2296 -325.436 PRESSAVG: 4031600 41.3704 -81.0984 13.492 -81.0984 -11.1158 8.46159 13.492 8.46162 -24.5833 GPRESSAVG: 4031600 41.1217 -83.5754 12.3825 -81.5299 -12.0353 7.81724 12.5045 11.3615 -23.3168 TIMING: 4031600 CPU: 13062.4, 0.00313757/step Wall: 13062.4, 0.00313757/step, 0.844005 hours remaining, 235.921875 MB of memory in use. ENERGY: 4031600 4043.6480 20518.5061 14551.7492 233.4589 -202568.9646 2292.4241 0.0000 0.0000 52288.0200 -108641.1582 300.5000 -160929.1782 -108282.2861 300.5867 -92.2492 -63.5374 763565.1670 1.8904 1.9232 PRESSURE: 4031800 117.076 -105.141 115.084 -105.141 -27.6307 -30.5621 115.084 -30.5618 169.648 GPRESSURE: 4031800 176.895 -181.463 239.486 -31.9779 -72.3528 -81.9 69.8033 62.6209 224.902 PRESSAVG: 4031800 62.8387 -101.703 4.40483 -101.703 -34.3872 4.38447 4.40485 4.38452 -7.75852 GPRESSAVG: 4031800 62.8807 -101.482 6.84544 -100.585 -33.3712 4.26473 4.64824 2.70286 -8.9192 TIMING: 4031800 CPU: 13063.1, 0.00316053/step Wall: 13063.1, 0.00316053/step, 0.850006 hours remaining, 235.921875 MB of memory in use. ENERGY: 4031800 3921.1145 20482.6794 14487.3928 268.1707 -203018.6843 2711.0834 0.0000 0.0000 52354.9700 -108793.2734 300.8847 -161148.2434 -108424.0023 300.4431 86.3647 109.8147 763254.3694 6.8977 6.8634 PRESSURE: 4032000 213.091 -21.4005 -0.0711433 -21.4006 302.749 -39.2039 -0.0710898 -39.2026 175.711 GPRESSURE: 4032000 256.711 51.5825 20.5106 -31.0053 315.591 -36.6611 -20.5693 -59.0437 201.42 PRESSAVG: 4032000 12.0124 -79.2049 -30.434 -79.2049 -13.3257 16.6917 -30.434 16.6917 1.03323 GPRESSAVG: 4032000 12.2046 -77.7638 -30.4567 -78.688 -13.9137 17.2917 -31.0926 15.2221 1.63676 TIMING: 4032000 CPU: 13063.7, 0.0032071/step Wall: 13063.7, 0.0032071/step, 0.862353 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4032000 4000.6346 20593.3423 14496.7513 262.1640 -203490.6127 2787.4115 0.0000 0.0000 52342.4372 -109007.8718 300.8127 -161350.3089 -108638.9177 299.7248 230.5173 257.9073 762152.6031 -0.0934 -0.0241 PRESSURE: 4032200 103.005 41.2182 -86.5223 41.2179 -125.536 -20.8687 -86.5222 -20.8696 211.34 GPRESSURE: 4032200 70.4291 -95.9133 -89.2468 117.682 -7.00779 0.637701 -187.863 86.8966 208.315 PRESSAVG: 4032200 21.126 -56.7134 3.91548 -56.7134 -7.93643 36.9748 3.91547 36.9749 2.16783 GPRESSAVG: 4032200 21.5157 -58.0544 3.8988 -56.5252 -8.2209 36.2854 3.99876 40.2344 1.94966 TIMING: 4032200 CPU: 13064.3, 0.00322185/step Wall: 13064.3, 0.00322185/step, 0.866141 hours remaining, 235.921875 MB of memory in use. ENERGY: 4032200 3976.9988 20519.6172 14505.4735 240.9929 -203021.6219 2716.4691 0.0000 0.0000 52194.8829 -108867.1875 299.9647 -161062.0704 -108510.2608 300.1391 62.9361 90.5788 762441.2712 5.1191 5.0815 LDB: ============= START OF LOAD BALANCING ============== 13076.8 LDB: ============== END OF LOAD BALANCING =============== 13076.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13076.8 LDB: ============= START OF LOAD BALANCING ============== 13077.1 LDB: Largest compute 7068 load 0.033490 is 17.1% of average load 0.195586 LDB: Average compute 0.004392 is 2.2% of average load 0.195586 LDB: TIME 13077.1 LOAD: AVG 0.195586 MAX 0.215733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 13077.1 LOAD: AVG 0.195586 MAX 0.215733 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.816 MB LDB: TIME 13077.1 LOAD: AVG 0.195586 MAX 0.215733 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.816 MB LDB: ============== END OF LOAD BALANCING =============== 13077.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13077.1 PRESSURE: 4032400 735.13 70.1596 -164.659 70.1596 478.797 -336.979 -164.66 -336.979 321.432 GPRESSURE: 4032400 757.734 126.336 -145.403 4.11725 493.367 -316.456 -220.643 -254.147 374.167 PRESSAVG: 4032400 62.9593 -30.3478 -1.13317 -30.3478 -43.6716 9.0599 -1.13318 9.05992 -4.63473 GPRESSAVG: 4032400 62.4216 -30.7195 -1.7386 -30.2334 -42.3554 9.07472 1.79212 8.29836 -4.84068 TIMING: 4032400 CPU: 13065, 0.00326523/step Wall: 13065, 0.00326523/step, 0.877621 hours remaining, 235.652344 MB of memory in use. ENERGY: 4032400 3985.1308 20530.3558 14529.0189 261.2238 -203016.2462 2797.1052 0.0000 0.0000 52115.9494 -108797.4623 299.5111 -160913.4117 -108439.9983 299.8470 511.7867 541.7559 761932.5488 4.8843 5.0751 PRESSURE: 4032600 -341.283 -18.0138 27.4675 -18.0143 -324.461 -233.049 27.4673 -233.05 -12.852 GPRESSURE: 4032600 -380.654 51.8583 -9.59051 36.7587 -217.672 -222.307 -19.3281 -246.09 -0.371691 PRESSAVG: 4032600 32.5283 -18.3066 50.6373 -18.3066 -4.26112 6.019 50.6373 6.01895 16.4532 GPRESSAVG: 4032600 32.6007 -16.9595 51.3748 -20.5133 -3.92679 7.09295 46.9097 6.23328 16.0214 TIMING: 4032600 CPU: 13065.6, 0.0031464/step Wall: 13065.6, 0.0031464/step, 0.845507 hours remaining, 235.722656 MB of memory in use. ENERGY: 4032600 4005.0623 20611.3273 14553.2243 243.9493 -202668.2461 2329.0884 0.0000 0.0000 52259.0511 -108666.5433 300.3335 -160925.5944 -108305.3690 300.5346 -226.1989 -199.5656 761780.4455 14.9068 14.8984 PRESSURE: 4032800 -30.3895 -154.119 69.5368 -154.119 541.067 82.0915 69.5362 82.0917 -112.754 GPRESSURE: 4032800 -16.7976 -80.9157 5.89038 -117.208 563.739 151.631 22.311 22.341 -47.5232 PRESSAVG: 4032800 22.6149 -10.5636 18.6451 -10.5636 -41.9934 -3.237 18.6451 -3.23692 -5.28744 GPRESSAVG: 4032800 23.5586 -10.574 18.4807 -9.27878 -43.6873 -3.61111 19.4114 -4.58568 -4.43094 TIMING: 4032800 CPU: 13066.3, 0.003174/step Wall: 13066.3, 0.003174/step, 0.852747 hours remaining, 235.722656 MB of memory in use. ENERGY: 4032800 3966.3689 20370.3675 14549.3257 251.7294 -202672.5614 2511.3281 0.0000 0.0000 52365.7883 -108657.6534 300.9469 -161023.4418 -108284.9028 300.7009 132.6413 166.4727 761132.9673 -8.2220 -8.1866 PRESSURE: 4033000 173.42 114.793 -70.9343 114.792 89.0587 35.6506 -70.9345 35.65 -143.364 GPRESSURE: 4033000 232.331 159.375 -55.9948 57.1902 63.5821 56.6088 -39.6921 84.7251 -100.642 PRESSAVG: 4033000 -12.5378 -48.5391 25.3385 -48.5391 44.7391 -22.768 25.3384 -22.7679 -16.4533 GPRESSAVG: 4033000 -12.4647 -47.0968 25.5099 -47.5574 45.3795 -23.526 26.1421 -20.4499 -17.4998 TIMING: 4033000 CPU: 13066.9, 0.00314632/step Wall: 13066.9, 0.00314632/step, 0.845136 hours remaining, 235.722656 MB of memory in use. ENERGY: 4033000 4009.2391 20514.5839 14556.1207 268.1344 -203027.4794 2569.1695 0.0000 0.0000 52391.5149 -108718.7169 301.0948 -161110.2319 -108360.6246 300.4521 39.7047 65.0903 760751.4992 5.2493 5.1384 PRESSURE: 4033200 190.391 1.11712 -85.6504 1.11794 124.708 -108.913 -85.6501 -108.911 442.734 GPRESSURE: 4033200 230.716 22.1374 -56.3848 3.79649 187.782 -122.766 -28.6026 -231.912 411.761 PRESSAVG: 4033200 32.3543 -8.17677 -1.1406 -8.17681 14.0771 -68.5474 -1.14061 -68.5474 3.89849 GPRESSAVG: 4033200 32.2351 -9.77717 -1.95272 -7.12149 13.0569 -68.8531 -1.08617 -67.0354 4.68841 TIMING: 4033200 CPU: 13067.5, 0.00314841/step Wall: 13067.5, 0.00314841/step, 0.845524 hours remaining, 235.890625 MB of memory in use. ENERGY: 4033200 3937.0743 20586.7217 14571.8667 236.0581 -202649.0145 2524.3723 0.0000 0.0000 51971.2304 -108821.6909 298.6794 -160792.9213 -108461.8438 300.3939 252.6111 276.7532 761723.8384 16.7766 16.6601 PRESSURE: 4033400 56.2552 -72.6784 224.38 -72.6787 391.578 205.197 224.379 205.198 -434.564 GPRESSURE: 4033400 89.8664 -133.624 142.206 -161.028 431.184 285.708 232.556 193.75 -422.308 PRESSAVG: 4033400 18.0506 -41.1114 4.51782 -41.1113 -36.3208 23.6966 4.51781 23.6966 16.2152 GPRESSAVG: 4033400 17.7438 -41.1597 4.76042 -42.6877 -36.1037 25.1611 1.84725 20.3233 16.63 TIMING: 4033400 CPU: 13068.2, 0.00315469/step Wall: 13068.2, 0.00315469/step, 0.847034 hours remaining, 235.890625 MB of memory in use. ENERGY: 4033400 4014.6141 20563.2370 14578.8593 230.6325 -203019.4119 2560.9581 0.0000 0.0000 52004.5263 -109066.5847 298.8707 -161071.1110 -108705.7003 299.7908 4.4231 32.9143 762411.1091 -0.6850 -0.5767 PRESSURE: 4033600 166.793 166.692 -19.5015 166.692 28.191 -22.9653 -19.5013 -22.967 63.7585 GPRESSURE: 4033600 132.623 174.323 -0.932 170.567 33.8106 -66.4507 47.2565 16.9549 176.841 PRESSAVG: 4033600 6.23859 -30.0511 -0.934088 -30.0511 25.5043 11.9345 -0.934048 11.9344 -10.267 GPRESSAVG: 4033600 6.20329 -30.5047 -0.659964 -28.1049 26.1824 10.1499 1.01985 10.6999 -11.1539 TIMING: 4033600 CPU: 13068.8, 0.00314587/step Wall: 13068.8, 0.00314587/step, 0.844492 hours remaining, 235.921875 MB of memory in use. ENERGY: 4033600 3951.6716 20499.4986 14517.6374 236.8410 -203079.3011 2563.0692 0.0000 0.0000 52202.4566 -109108.1267 300.0082 -161310.5834 -108740.7247 299.4476 86.2474 114.4246 761478.4505 7.1587 7.0773 PRESSURE: 4033800 106.159 137.733 -28.8086 137.733 330.675 -91.149 -28.8081 -91.1492 27.3632 GPRESSURE: 4033800 192.891 133.385 111.875 73.0894 319.617 -25.9558 -65.9375 -199.927 18.618 PRESSAVG: 4033800 42.561 -20.6956 55.6786 -20.6957 2.54248 1.75808 55.6786 1.75817 2.0677 GPRESSAVG: 4033800 42.094 -20.1486 54.5821 -22.8415 2.43409 1.82833 57.4125 3.39406 2.49824 TIMING: 4033800 CPU: 13069.4, 0.00314444/step Wall: 13069.4, 0.00314444/step, 0.843933 hours remaining, 235.921875 MB of memory in use. ENERGY: 4033800 4030.1847 20362.1506 14503.0936 245.3838 -202981.3312 2677.7144 0.0000 0.0000 52129.5462 -109033.2579 299.5892 -161162.8041 -108674.2602 299.6887 154.7323 177.0420 760772.3390 15.7237 15.6755 PRESSURE: 4034000 100.207 -4.74105 -120.958 -4.74151 96.2698 57.0718 -120.958 57.0719 -67.8547 GPRESSURE: 4034000 147.352 24.8363 -83.9321 -64.9382 119.231 -45.1436 -97.5862 108.132 -37.0884 PRESSAVG: 4034000 43.7903 -33.3927 -4.64548 -33.3927 -55.1867 -27.3291 -4.64549 -27.329 5.33824 GPRESSAVG: 4034000 44.6878 -34.5089 -4.09458 -30.7661 -55.4463 -26.6129 -5.68934 -27.3752 5.03195 TIMING: 4034000 CPU: 13070, 0.00314527/step Wall: 13070, 0.00314527/step, 0.84398 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4034000 4015.3149 20512.0232 14504.1308 250.4110 -203245.5942 2487.9944 0.0000 0.0000 51993.6974 -109482.0225 298.8085 -161475.7199 -109120.3488 299.5389 42.8741 76.4979 761977.1456 -2.0194 -1.9088 PRESSURE: 4034200 -259.752 -203.548 -44.8913 -203.549 222.402 191.224 -44.891 191.224 172.762 GPRESSURE: 4034200 -155.874 -205.502 -49.8679 -160.193 195.663 127.754 -23.2779 15.2174 164.448 PRESSAVG: 4034200 -27.5094 -52.5472 -14.4862 -52.5472 -15.2956 19.523 -14.4862 19.5229 9.03802 GPRESSAVG: 4034200 -27.8786 -51.7253 -14.6114 -53.0988 -14.6957 20.4327 -15.288 19.7358 9.66627 TIMING: 4034200 CPU: 13070.7, 0.00315596/step Wall: 13070.7, 0.00315596/step, 0.846673 hours remaining, 235.921875 MB of memory in use. ENERGY: 4034200 3984.1263 20532.5334 14522.0380 249.1620 -203193.8799 2472.0325 0.0000 0.0000 52111.0611 -109322.9267 299.4830 -161433.9878 -108950.9713 299.1839 45.1374 68.0792 760955.5682 -11.2556 -10.9694 PRESSURE: 4034400 358.865 -66.1865 147.008 -66.1862 250.022 220.88 147.008 220.88 469.012 GPRESSURE: 4034400 352.188 -94.1006 250.167 38.6365 302.972 295.66 72.9615 190.207 511.612 PRESSAVG: 4034400 -38.0163 1.10544 29.7026 1.10543 33.1914 -30.7236 29.7026 -30.7237 5.06523 GPRESSAVG: 4034400 -38.3838 0.504995 31.3718 1.34969 33.372 -30.6763 27.6587 -29.521 5.3028 TIMING: 4034400 CPU: 13071.3, 0.0031401/step Wall: 13071.3, 0.00314009/step, 0.842243 hours remaining, 235.921875 MB of memory in use. ENERGY: 4034400 3951.4190 20660.3604 14488.7408 259.8863 -203686.4027 3031.4646 0.0000 0.0000 52013.5298 -109281.0016 298.9225 -161294.5315 -108921.1252 299.2854 359.2997 388.9239 761502.5889 0.0801 0.0970 PRESSURE: 4034600 -575.387 45.2794 227.787 45.28 -734.415 267.115 227.788 267.115 -831.095 GPRESSURE: 4034600 -675.184 -8.62038 148.673 11.4549 -527.484 272.098 287.556 192.692 -837.52 PRESSAVG: 4034600 -10.3349 35.3093 45.6816 35.3094 48.8184 -21.8753 45.6816 -21.8753 -9.38854 GPRESSAVG: 4034600 -10.5309 34.7938 43.3774 32.873 49.0754 -22.398 46.6425 -22.965 -9.85808 TIMING: 4034600 CPU: 13071.9, 0.0031475/step Wall: 13071.9, 0.0031475/step, 0.844055 hours remaining, 235.921875 MB of memory in use. ENERGY: 4034600 4046.8564 20630.5705 14444.9848 251.6140 -202529.1405 1988.8113 0.0000 0.0000 52172.3741 -108993.9294 299.8354 -161166.3035 -108628.7580 300.1497 -713.6324 -680.0627 764210.4284 9.6983 9.5621 PRESSURE: 4034800 316.314 -112.115 -200.789 -112.116 -247.084 -34.3639 -200.788 -34.3636 11.9954 GPRESSURE: 4034800 267.453 -73.2207 -173.144 -124.51 -232.893 -70.2077 -216.095 -45.0949 100.574 PRESSAVG: 4034800 23.515 -50.171 -18.3911 -50.171 19.2031 18.4721 -18.391 18.4721 0.990263 GPRESSAVG: 4034800 23.3929 -48.5629 -17.289 -50.1871 19.337 17.3412 -17.5064 19.0528 0.518824 TIMING: 4034800 CPU: 13072.6, 0.0031336/step Wall: 13072.6, 0.0031336/step, 0.840154 hours remaining, 235.921875 MB of memory in use. ENERGY: 4034800 3955.2673 20645.3971 14453.0918 253.8026 -203220.2007 2688.5158 0.0000 0.0000 52282.0283 -108942.0979 300.4655 -161224.1262 -108575.6203 299.7726 27.0751 45.0449 762989.9345 14.5695 14.4162 PRESSURE: 4035000 -106.037 45.0191 199.587 45.0191 -208.841 -219.272 199.587 -219.273 -59.4743 GPRESSURE: 4035000 3.20761 -33.4455 247.518 61.0899 -265.067 -192.205 25.741 -19.1287 -45.571 PRESSAVG: 4035000 28.1548 -1.35818 -29.442 -1.35816 -25.2665 -40.2011 -29.4421 -40.2012 -10.0598 GPRESSAVG: 4035000 28.1309 -2.15303 -30.5107 -1.1968 -26.5792 -39.941 -28.5161 -38.719 -8.99707 TIMING: 4035000 CPU: 13073.2, 0.00313167/step Wall: 13073.2, 0.00313167/step, 0.839461 hours remaining, 235.921875 MB of memory in use. ENERGY: 4035000 4026.7639 20733.0448 14494.0804 235.7807 -203523.3948 2601.0018 0.0000 0.0000 52322.6000 -109110.1233 300.6987 -161432.7232 -108745.9134 300.2900 -124.7839 -102.4769 762654.4611 -2.3905 -2.4818 PRESSURE: 4035200 128.843 230.061 46.2594 230.061 -13.5796 12.1413 46.2593 12.1418 11.5053 GPRESSURE: 4035200 145.518 288.505 36.0135 259.648 46.655 99.8186 -17.7486 -93.7468 32.6774 PRESSAVG: 4035200 43.9506 -30.4928 -0.574473 -30.4928 -75.8753 9.95769 -0.57451 9.95774 -3.72161 GPRESSAVG: 4035200 43.5144 -31.685 -0.890486 -28.8357 -75.5033 10.879 -0.757696 9.51299 -4.28404 TIMING: 4035200 CPU: 13073.8, 0.00313073/step Wall: 13073.8, 0.00313073/step, 0.839034 hours remaining, 235.921875 MB of memory in use. ENERGY: 4035200 3941.0607 20663.0308 14535.3771 243.9802 -203359.7156 2840.0633 0.0000 0.0000 52090.8351 -109045.3685 299.3667 -161136.2035 -108688.0219 299.9750 42.2563 74.9500 763222.8205 -11.8821 -12.0910 PRESSURE: 4035400 20.3534 -235.42 -174.958 -235.42 -24.6027 -25.1242 -174.958 -25.1251 -433.616 GPRESSURE: 4035400 16.5494 -248.336 -161.035 -136.163 39.7891 21.1838 -96.7792 -13.3189 -413.389 PRESSAVG: 4035400 35.8401 -84.2676 29.52 -84.2676 -3.77415 9.11913 29.52 9.11907 5.66977 GPRESSAVG: 4035400 34.9584 -81.5888 30.6911 -84.6296 -2.20342 8.55136 30.5261 7.59996 5.50053 TIMING: 4035400 CPU: 13074.4, 0.00314/step Wall: 13074.4, 0.00314/step, 0.841345 hours remaining, 235.921875 MB of memory in use. ENERGY: 4035400 3938.4810 20574.5191 14529.5087 251.8175 -203120.3537 2487.5756 0.0000 0.0000 52169.5462 -109168.9056 299.8191 -161338.4517 -108811.0811 299.9307 -145.9552 -119.0168 762312.2525 12.5786 12.7518 PRESSURE: 4035600 13.227 -17.079 -60.1079 -17.0795 -123.869 -94.4465 -60.1069 -94.4467 263.324 GPRESSURE: 4035600 146.898 17.6203 -28.6254 -10.2972 -124.84 -72.1623 9.03257 6.33862 201.352 PRESSAVG: 4035600 39.9555 8.4475 36.6298 8.44755 -34.6272 38.9309 36.6298 38.931 9.27783 GPRESSAVG: 4035600 40.6233 9.36372 37.1212 7.68928 -36.1541 39.0798 34.8239 39.7542 9.89108 TIMING: 4035600 CPU: 13075.1, 0.00312992/step Wall: 13075.1, 0.00312992/step, 0.838471 hours remaining, 235.921875 MB of memory in use. ENERGY: 4035600 3989.2332 20573.6083 14440.5780 250.4398 -203030.6485 2462.3360 0.0000 0.0000 52166.1402 -109148.3131 299.7995 -161314.4532 -108781.5068 300.0008 50.8938 74.4701 761511.0469 4.8687 4.7868 PRESSURE: 4035800 183.752 136.072 -112.612 136.072 -140.687 71.831 -112.612 71.831 386.374 GPRESSURE: 4035800 189.094 333.779 -51.5846 196.179 -76.21 109.722 -83.81 29.621 402.062 PRESSAVG: 4035800 11.2453 -4.96279 8.89385 -4.96277 -31.5919 16.0733 8.89392 16.0733 -12.2577 GPRESSAVG: 4035800 12.8591 -5.32243 8.41474 -4.4433 -32.4798 16.0002 8.86197 15.5466 -12.4304 TIMING: 4035800 CPU: 13075.7, 0.00313174/step Wall: 13075.7, 0.00313174/step, 0.838785 hours remaining, 235.921875 MB of memory in use. ENERGY: 4035800 4065.0506 20604.5969 14545.4517 248.0783 -202838.8653 2417.8118 0.0000 0.0000 51916.9284 -109040.9478 298.3673 -160957.8761 -108682.1641 299.7057 143.1464 171.6486 761616.7955 -10.8681 -10.6837 PRESSURE: 4036000 -77.0613 3.51471 -182.893 3.51458 -23.3051 125.976 -182.893 125.976 5.9197 GPRESSURE: 4036000 7.97365 -37.8384 -221.031 -10.7817 -6.69184 4.12624 -175.446 149.35 -16.593 PRESSAVG: 4036000 32.2633 21.7855 -13.7185 21.7855 -53.2895 26.3748 -13.7186 26.3749 -10.9895 GPRESSAVG: 4036000 30.8311 19.8718 -14.7114 23.6299 -51.3815 26.2368 -13.537 26.4049 -11.6745 TIMING: 4036000 CPU: 13076.3, 0.00314354/step Wall: 13076.3, 0.00314354/step, 0.84177 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4036000 4025.2647 20583.5344 14498.6130 246.3104 -202605.0752 2200.8001 0.0000 0.0000 52008.8674 -109041.6852 298.8957 -161050.5525 -108680.0075 299.8893 -31.4822 -5.1037 761717.3720 -10.6719 -10.7416 PRESSURE: 4036200 6.93793 86.867 -178.436 86.8675 76.3237 235.36 -178.436 235.359 -10.2907 GPRESSURE: 4036200 60.635 183.477 -190.485 127.323 62.2645 171.965 -0.595817 141.859 40.3625 PRESSAVG: 4036200 30.8367 -16.4359 -7.78371 -16.436 -9.88324 -4.46658 -7.78371 -4.46664 8.10096 GPRESSAVG: 4036200 30.975 -14.8538 -5.63963 -18.2769 -10.6323 -3.99967 -6.56953 -5.07495 8.5464 TIMING: 4036200 CPU: 13076.9, 0.00313679/step Wall: 13076.9, 0.00313679/step, 0.839788 hours remaining, 235.921875 MB of memory in use. ENERGY: 4036200 4000.4575 20628.3166 14487.5800 237.5071 -202970.6322 2555.0661 0.0000 0.0000 52150.2436 -108911.4614 299.7082 -161061.7049 -108549.8223 300.1810 24.3237 54.4207 761738.6220 9.6848 9.6297 LDB: ============= START OF LOAD BALANCING ============== 13089.4 LDB: ============== END OF LOAD BALANCING =============== 13089.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13089.4 LDB: ============= START OF LOAD BALANCING ============== 13089.7 LDB: Largest compute 7058 load 0.033464 is 17.1% of average load 0.195696 LDB: Average compute 0.004374 is 2.2% of average load 0.195696 LDB: TIME 13089.7 LOAD: AVG 0.195696 MAX 0.214141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.418 MB LDB: TIME 13089.7 LOAD: AVG 0.195696 MAX 0.214141 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: TIME 13089.7 LOAD: AVG 0.195696 MAX 0.214141 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: ============== END OF LOAD BALANCING =============== 13089.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13089.7 PRESSURE: 4036400 109.66 293.815 262.617 293.815 -179.254 -111.516 262.617 -111.516 28.7864 GPRESSURE: 4036400 98.3099 184.011 159.017 306.901 -89.3561 -19.633 214.848 -174.078 40.3651 PRESSAVG: 4036400 52.1497 7.93376 0.545625 7.93379 1.12078 -31.5224 0.545618 -31.5224 -1.50966 GPRESSAVG: 4036400 52.612 7.1434 -2.46631 8.61946 2.03661 -31.5145 0.656712 -31.2716 -2.50097 TIMING: 4036400 CPU: 13077.6, 0.00318507/step Wall: 13077.6, 0.00318507/step, 0.852537 hours remaining, 235.507812 MB of memory in use. ENERGY: 4036400 4034.2178 20631.2059 14477.0808 249.2521 -203224.8168 2546.7754 0.0000 0.0000 52251.0804 -109035.2043 300.2877 -161286.2847 -108673.8457 300.5798 -13.6024 16.4396 761136.7710 17.2536 17.3826 PRESSURE: 4036600 124.403 16.0161 18.1438 16.0159 -114.762 98.0547 18.1434 98.0544 -214.316 GPRESSURE: 4036600 162.555 52.9144 -16.7707 47.558 -107.437 165.609 31.4562 -3.84485 -174.68 PRESSAVG: 4036600 -28.1827 -66.2184 42.783 -66.2184 -24.0976 -30.7684 42.7831 -30.7684 21.7089 GPRESSAVG: 4036600 -28.5004 -66.2108 43.3387 -67.3892 -25.2594 -30.2815 40.9843 -30.3981 22.9116 TIMING: 4036600 CPU: 13078.2, 0.0031128/step Wall: 13078.2, 0.0031128/step, 0.833021 hours remaining, 235.578125 MB of memory in use. ENERGY: 4036600 3957.2722 20646.2993 14513.6974 244.5713 -203338.6518 2639.1198 0.0000 0.0000 52247.4890 -109090.2027 300.2670 -161337.6918 -108716.1631 299.6413 -68.2250 -39.8538 761823.9495 -10.1905 -10.2827 PRESSURE: 4036800 -147.444 -58.4984 -97.255 -58.4977 -308.636 -1.72898 -97.2558 -1.73108 -492.172 GPRESSURE: 4036800 -165.582 16.8681 -47.157 48.8161 -207.572 -57.0398 48.0074 102.828 -488.86 PRESSAVG: 4036800 -14.8411 -33.514 6.38128 -33.5139 22.9368 -1.01092 6.38134 -1.01085 18.3851 GPRESSAVG: 4036800 -14.2656 -33.7728 7.20963 -32.7844 22.3479 -1.02926 8.82064 -1.10186 18.2103 TIMING: 4036800 CPU: 13078.8, 0.00311954/step Wall: 13078.8, 0.00311954/step, 0.834649 hours remaining, 235.578125 MB of memory in use. ENERGY: 4036800 4003.3307 20392.9932 14517.2194 262.4074 -202986.0957 2377.0409 0.0000 0.0000 52169.2130 -109263.8912 299.8172 -161433.1042 -108895.8826 299.3767 -316.0841 -287.3384 763132.9047 8.8269 8.7642 PRESSURE: 4037000 -210.939 -118.399 -8.4992 -118.399 -199.788 80.8016 -8.49981 80.8017 -296.274 GPRESSURE: 4037000 -205.032 -172.643 -95.0424 -102.564 -107.91 72.0123 8.94583 -53.956 -292.102 PRESSAVG: 4037000 28.6852 -65.2333 6.07823 -65.2333 8.97776 -26.6334 6.07828 -26.6334 -10.293 GPRESSAVG: 4037000 27.9369 -66.1246 5.22374 -66.2763 9.78345 -28.6038 4.68863 -25.5874 -10.4467 TIMING: 4037000 CPU: 13079.5, 0.00314072/step Wall: 13079.5, 0.00314072/step, 0.840143 hours remaining, 235.773438 MB of memory in use. ENERGY: 4037000 3992.9218 20490.1488 14462.9561 232.9137 -203399.9939 2758.0282 0.0000 0.0000 52034.7915 -109428.2339 299.0447 -161463.0254 -109065.7208 299.3748 -235.6670 -201.6815 765236.2244 9.1233 9.0912 PRESSURE: 4037200 162.384 -160.052 -109.283 -160.053 12.6594 165.414 -109.284 165.415 -24.4171 GPRESSURE: 4037200 178.023 -145.178 -65.4037 -261.267 -18.642 182.649 -113.335 143.307 60.2102 PRESSAVG: 4037200 81.3885 -95.3397 1.95177 -95.3397 -61.6418 37.5054 1.95173 37.5054 28.2314 GPRESSAVG: 4037200 81.4957 -93.3801 3.17161 -95.6019 -61.3049 38.5448 1.32983 36.3148 28.5281 TIMING: 4037200 CPU: 13080.1, 0.00313135/step Wall: 13080.1, 0.00313135/step, 0.837462 hours remaining, 235.742188 MB of memory in use. ENERGY: 4037200 3929.4662 20568.6476 14482.6659 242.8461 -203166.1357 2660.0922 0.0000 0.0000 52183.7174 -109098.7003 299.9005 -161282.4177 -108733.5024 299.4502 50.2086 73.1972 763531.7275 15.9927 16.2396 PRESSURE: 4037400 -294.074 80.1424 25.3833 80.1421 32.1094 -91.1049 25.3834 -91.1048 96.2923 GPRESSURE: 4037400 -163.444 80.0315 5.48212 62.907 -95.2521 -132.722 135.082 -20.3338 169.302 PRESSAVG: 4037400 40.6368 2.5095 39.3331 2.5095 0.0633962 19.3439 39.3332 19.3439 6.71101 GPRESSAVG: 4037400 40.9293 2.62868 38.9858 0.845509 -1.07998 19.8722 35.9814 20.0217 7.39669 TIMING: 4037400 CPU: 13080.7, 0.00313232/step Wall: 13080.7, 0.00313232/step, 0.837547 hours remaining, 235.855469 MB of memory in use. ENERGY: 4037400 3979.7626 20664.1928 14469.5958 267.1255 -203484.7564 2697.3938 0.0000 0.0000 52057.2884 -109349.3975 299.1740 -161406.6859 -108993.6607 299.5596 -55.2242 -29.7981 763308.2777 15.8037 15.7487 PRESSURE: 4037600 -99.177 -105.144 100.595 -105.145 -513.331 -353.554 100.595 -353.554 -254.31 GPRESSURE: 4037600 -90.2851 -1.55386 76.5621 -208.45 -432.135 -415.007 217.975 -209.398 -264.393 PRESSAVG: 4037600 22.334 -50.3393 -2.40761 -50.3392 -28.1339 3.90067 -2.40758 3.90056 -13.6826 GPRESSAVG: 4037600 20.9958 -50.318 -0.884681 -48.464 -26.2408 4.16377 0.922642 5.8119 -14.4081 TIMING: 4037600 CPU: 13081.3, 0.00312343/step Wall: 13081.3, 0.00312343/step, 0.834997 hours remaining, 235.855469 MB of memory in use. ENERGY: 4037600 3965.1717 20515.5681 14476.6951 266.4003 -203134.0504 2471.1533 0.0000 0.0000 52051.6206 -109387.4414 299.1414 -161439.0619 -109025.0889 299.2687 -288.9391 -262.2712 763158.9581 -6.4942 -6.5510 PRESSURE: 4037800 -359.733 -204.459 -26.0558 -204.46 169.481 12.9694 -26.0552 12.9703 -108.801 GPRESSURE: 4037800 -230.178 -158.069 -67.6606 -103.196 107.452 -31.6552 -20.658 39.5348 -78.491 PRESSAVG: 4037800 12.6689 -48.3172 34.2369 -48.3172 17.3765 -30.3384 34.2369 -30.3383 -9.38899 GPRESSAVG: 4037800 14.1454 -48.6326 33.0074 -46.7212 15.274 -31.7803 35.3507 -31.6584 -9.40692 TIMING: 4037800 CPU: 13082, 0.00311933/step Wall: 13082, 0.00311933/step, 0.833727 hours remaining, 235.855469 MB of memory in use. ENERGY: 4037800 3974.4746 20597.3934 14460.3480 252.8250 -203366.1856 2645.8865 0.0000 0.0000 52180.0348 -109255.2234 299.8794 -161435.2582 -108882.9551 299.0578 -99.6841 -67.0724 763334.4057 6.8855 6.6708 PRESSURE: 4038000 34.5423 -140.835 28.2619 -140.836 125.746 33.593 28.2627 33.5903 -4.38837 GPRESSURE: 4038000 99.9796 -152.641 -34.3304 -96.3634 77.451 3.51934 -60.074 -2.95126 66.1772 PRESSAVG: 4038000 -2.46462 -40.9707 42.8176 -40.9707 -51.5536 44.1857 42.8176 44.1856 -23.8002 GPRESSAVG: 4038000 -1.36283 -40.4537 43.6434 -42.8998 -52.0387 44.3305 41.2126 45.0014 -24.0546 TIMING: 4038000 CPU: 13082.6, 0.00312472/step Wall: 13082.6, 0.00312472/step, 0.834994 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4038000 4086.3692 20696.5625 14435.2960 231.6275 -203341.5348 2589.7417 0.0000 0.0000 51968.9920 -109332.9458 298.6665 -161301.9378 -108970.0989 299.2070 51.9667 81.2026 762711.2655 -25.9395 -25.8187 PRESSURE: 4038200 -109.082 34.1232 83.1741 34.1232 30.6971 -61.3418 83.1743 -61.3425 285.08 GPRESSURE: 4038200 -51.7685 50.6317 -45.0186 -28.6106 13.0177 -145.148 43.1063 25.9387 324.715 PRESSAVG: 4038200 60.2335 -73.2444 40.6969 -73.2444 -43.9536 17.6462 40.6969 17.6462 -2.91358 GPRESSAVG: 4038200 59.4371 -72.4073 38.0058 -72.3671 -44.2466 18.0258 40.3195 16.6346 -2.19608 TIMING: 4038200 CPU: 13083.2, 0.00312633/step Wall: 13083.2, 0.00312633/step, 0.835252 hours remaining, 235.855469 MB of memory in use. ENERGY: 4038200 4066.0928 20557.2708 14408.0655 245.5804 -203595.3565 2700.1896 0.0000 0.0000 52336.3433 -109281.8141 300.7777 -161618.1574 -108912.2924 299.4256 68.8983 95.3215 761870.2719 4.4554 4.3315 PRESSURE: 4038400 -123.604 -157.069 198.727 -157.068 10.1298 -256.368 198.726 -256.368 -115.163 GPRESSURE: 4038400 -138.572 -172.494 216.037 -125.077 64.9258 -146.707 315.794 -209.625 -77.1776 PRESSAVG: 4038400 -21.2829 -99.8145 31.8854 -99.8145 2.30497 46.2104 31.8854 46.2105 6.50181 GPRESSAVG: 4038400 -21.0068 -100.654 32.9064 -99.4258 2.35734 46.8336 31.9228 46.8137 5.19828 TIMING: 4038400 CPU: 13083.8, 0.00315625/step Wall: 13083.8, 0.00315625/step, 0.843069 hours remaining, 235.855469 MB of memory in use. ENERGY: 4038400 4002.1353 20663.8069 14383.5611 243.9589 -203128.7703 2596.5585 0.0000 0.0000 51763.2426 -109475.5071 297.4841 -161238.7497 -109109.4815 299.3148 -76.2126 -50.2745 762832.4887 -4.1587 -4.4837 PRESSURE: 4038600 -431.014 -231.687 -81.8804 -231.688 -286.884 -32.4492 -81.8807 -32.4483 -384.184 GPRESSURE: 4038600 -376.733 -310.468 -8.99257 -271.952 -273.639 -56.3077 38.8101 0.55991 -371.54 PRESSAVG: 4038600 35.1045 -23.4336 14.658 -23.4336 -61.4828 -32.9756 14.658 -32.9756 1.35381 GPRESSAVG: 4038600 33.6953 -22.895 16.7147 -24.9849 -59.9234 -32.5204 17.1241 -32.8835 1.34445 TIMING: 4038600 CPU: 13084.5, 0.00316669/step Wall: 13084.5, 0.00316669/step, 0.845681 hours remaining, 235.855469 MB of memory in use. ENERGY: 4038600 4042.8676 20567.4215 14435.5538 262.1684 -203764.2440 2563.4329 0.0000 0.0000 52267.6249 -109625.1748 300.3828 -161892.7997 -109252.8188 298.8984 -367.3606 -340.6375 763293.7974 -8.3415 -8.2945 PRESSURE: 4038800 -69.6459 25.6808 -234.829 25.6807 -43.7025 201.474 -234.829 201.475 -117.279 GPRESSURE: 4038800 -54.3321 53.0217 -262.85 65.5595 -75.5042 137.328 -184.211 250.695 -36.4259 PRESSAVG: 4038800 41.2618 -68.5774 -30.222 -68.5773 -67.4224 5.45532 -30.2221 5.45533 -5.18505 GPRESSAVG: 4038800 42.9092 -72.5362 -32.3876 -65.6125 -69.1077 2.98204 -31.823 8.0507 -4.92336 TIMING: 4038800 CPU: 13085.1, 0.00312674/step Wall: 13085.1, 0.00312674/step, 0.834839 hours remaining, 235.855469 MB of memory in use. ENERGY: 4038800 3961.9685 20570.0869 14431.3074 263.7214 -203530.3440 2652.9136 0.0000 0.0000 52125.5999 -109524.7462 299.5665 -161650.3461 -109166.6545 299.0899 -76.8758 -55.4207 762752.7634 -10.4486 -10.3739 PRESSURE: 4039000 247.178 -243.014 -175.737 -243.013 -9.98309 216.158 -175.736 216.158 -12.9908 GPRESSURE: 4039000 287.25 -126.846 -28.5529 -394.477 41.2286 226.465 -185.055 136.777 -23.0254 PRESSAVG: 4039000 30.1398 -70.2253 47.8609 -70.2253 14.8901 -14.8853 47.8609 -14.8853 -10.0032 GPRESSAVG: 4039000 29.5503 -66.9582 47.9706 -72.025 15.5816 -12.6692 48.1026 -16.9865 -9.48202 TIMING: 4039000 CPU: 13085.7, 0.0031263/step Wall: 13085.7, 0.0031263/step, 0.834547 hours remaining, 235.855469 MB of memory in use. ENERGY: 4039000 3946.5235 20578.4981 14497.8362 257.0603 -203582.4226 2688.8671 0.0000 0.0000 51961.6136 -109652.0238 298.6241 -161613.6373 -109285.3930 298.9133 74.7348 101.8178 759793.7687 11.6756 11.8833 PRESSURE: 4039200 55.1336 154.844 8.41339 154.844 -78.786 187.412 8.41275 187.411 -938.764 GPRESSURE: 4039200 85.9234 212.336 -66.8069 14.0854 -31.3125 186.74 -7.82294 238.991 -928.853 PRESSAVG: 4039200 7.27009 -57.3347 78.1303 -57.3347 0.468212 9.06861 78.1303 9.06856 -33.0884 GPRESSAVG: 4039200 7.12192 -56.2621 79.5258 -58.7409 0.540283 8.21574 76.9659 10.9267 -33.1609 TIMING: 4039200 CPU: 13086.4, 0.00314353/step Wall: 13086.4, 0.00314353/step, 0.838973 hours remaining, 235.855469 MB of memory in use. ENERGY: 4039200 4037.8378 20510.8121 14478.7920 245.0513 -203390.2888 2699.8512 0.0000 0.0000 51860.1563 -109557.7881 298.0410 -161417.9444 -109202.0940 298.7817 -320.8055 -291.4140 763304.3863 -8.4500 -8.4996 PRESSURE: 4039400 54.9765 -6.82342 -34.776 -6.82366 -110.238 252.702 -34.7763 252.702 164.573 GPRESSURE: 4039400 126.242 -78.9587 -37.6314 86.335 -69.6201 310.022 19.4772 199.897 140.273 PRESSAVG: 4039400 64.8728 -78.2108 -14.5011 -78.2108 -25.6227 -14.2337 -14.5012 -14.2336 8.81155 GPRESSAVG: 4039400 64.3858 -79.2714 -15.3459 -75.34 -25.364 -13.099 -13.7222 -13.6763 8.95188 TIMING: 4039400 CPU: 13087, 0.00314656/step Wall: 13087, 0.00314656/step, 0.839608 hours remaining, 235.855469 MB of memory in use. ENERGY: 4039400 3920.7255 20640.7916 14435.8084 258.8864 -203353.8598 2599.8364 0.0000 0.0000 51924.9285 -109572.8831 298.4133 -161497.8116 -109216.8483 298.5775 36.4373 65.6318 761969.9747 16.0206 15.9913 PRESSURE: 4039600 39.1912 -219.432 148.215 -219.432 -61.3616 10.9706 148.215 10.9703 23.4503 GPRESSURE: 4039600 42.4005 -242.588 209.259 -253.77 20.3351 48.4303 170.841 -148.287 2.75229 PRESSAVG: 4039600 52.1187 -101.893 34.636 -101.892 -44.1866 3.60565 34.636 3.60569 -13.4428 GPRESSAVG: 4039600 52.1544 -103.473 35.7036 -101.736 -44.7181 3.28343 34.7653 2.20782 -12.9091 TIMING: 4039600 CPU: 13087.6, 0.00314176/step Wall: 13087.6, 0.00314176/step, 0.838152 hours remaining, 235.855469 MB of memory in use. ENERGY: 4039600 3944.0154 20668.0674 14422.1723 260.1894 -203707.6480 2923.3080 0.0000 0.0000 52027.4670 -109462.4284 299.0026 -161489.8954 -109098.5338 299.1741 0.4266 21.8293 763031.7873 -1.8369 -1.8243 PRESSURE: 4039800 30.8071 32.7636 182.995 32.7635 -109.64 -6.23805 182.995 -6.23905 -282.974 GPRESSURE: 4039800 116.082 46.6353 272.046 -9.12808 -124.648 -63.044 135.997 101.287 -285.516 PRESSAVG: 4039800 -2.4738 -39.5145 18.8504 -39.5145 -33.1237 -36.5604 18.8505 -36.5603 10.7428 GPRESSAVG: 4039800 -0.958772 -38.8358 18.2091 -39.4918 -33.6041 -36.571 18.8907 -35.9227 10.0969 TIMING: 4039800 CPU: 13088.2, 0.00312602/step Wall: 13088.2, 0.00312602/step, 0.833779 hours remaining, 235.855469 MB of memory in use. ENERGY: 4039800 3994.5630 20407.7458 14527.9031 247.6855 -203296.1168 2569.8794 0.0000 0.0000 51982.4742 -109565.8659 298.7440 -161548.3401 -109192.7154 299.2148 -120.6024 -98.0275 762593.9734 -8.2849 -8.1553 PRESSURE: 4040000 493.391 26.9375 163.384 26.9375 194.011 -76.523 163.384 -76.5228 152.966 GPRESSURE: 4040000 514.215 109.652 185.376 -55.0703 191.705 4.20994 175.595 -21.6397 233.028 PRESSAVG: 4040000 49.8922 -43.3664 43.3863 -43.3664 -44.7731 -19.1096 43.3862 -19.1095 0.579284 GPRESSAVG: 4040000 50.1992 -42.7947 41.9235 -43.9047 -44.9726 -21.4824 42.531 -17.5077 0.24176 TIMING: 4040000 CPU: 13088.9, 0.00313256/step Wall: 13088.9, 0.00313256/step, 0.835348 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4040000 3920.7099 20540.8318 14444.8115 247.1219 -203445.7214 2638.4643 0.0000 0.0000 52231.9348 -109421.8472 300.1776 -161653.7820 -109061.8282 299.0273 280.1227 312.9830 761254.3541 1.8995 1.8228 PRESSURE: 4040200 -27.4462 -198.358 20.1726 -198.359 -331.476 107.362 20.1724 107.361 -149.766 GPRESSURE: 4040200 -75.3618 -173.737 -85.2907 -154.682 -209.162 205.456 -63.8635 -7.99918 -148.636 PRESSAVG: 4040200 62.6001 -18.3888 -13.0401 -18.3887 -64.3573 12.5273 -13.0402 12.5273 10.969 GPRESSAVG: 4040200 61.7833 -20.2205 -11.6378 -18.1413 -64.365 14.3149 -13.1997 10.8582 11.6013 TIMING: 4040200 CPU: 13089.5, 0.00313892/step Wall: 13089.5, 0.00313892/step, 0.83687 hours remaining, 235.855469 MB of memory in use. ENERGY: 4040200 3926.0710 20467.4156 14499.0982 241.4417 -203182.5872 2609.7854 0.0000 0.0000 52039.8893 -109398.8860 299.0740 -161438.7753 -109030.7371 299.0608 -169.5629 -144.3868 762573.3408 3.0706 3.0065 LDB: ============= START OF LOAD BALANCING ============== 13101.9 LDB: ============== END OF LOAD BALANCING =============== 13101.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13101.9 LDB: ============= START OF LOAD BALANCING ============== 13102.2 LDB: Largest compute 7078 load 0.034288 is 17.5% of average load 0.195597 LDB: Average compute 0.004381 is 2.2% of average load 0.195597 LDB: TIME 13102.2 LOAD: AVG 0.195597 MAX 0.217492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.512 MB LDB: TIME 13102.2 LOAD: AVG 0.195597 MAX 0.217492 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: TIME 13102.2 LOAD: AVG 0.195597 MAX 0.217492 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: ============== END OF LOAD BALANCING =============== 13102.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13102.2 PRESSURE: 4040400 -208.045 -113.8 177.478 -113.8 33.9635 118.661 177.479 118.66 -186.145 GPRESSURE: 4040400 -123.605 -117.607 123.951 -129.414 29.8961 138.978 232.461 119.088 -186.466 PRESSAVG: 4040400 19.4822 -42.3882 -32.8414 -42.3882 -52.7041 29.789 -32.8413 29.789 20.7832 GPRESSAVG: 4040400 20.5466 -41.1066 -33.7855 -42.1891 -52.5775 30.5062 -30.9819 29.2905 19.4541 TIMING: 4040400 CPU: 13090.1, 0.00319832/step Wall: 13090.1, 0.00319832/step, 0.85253 hours remaining, 237.371094 MB of memory in use. ENERGY: 4040400 3974.2785 20441.7298 14431.0285 236.1987 -203352.9560 2870.4702 0.0000 0.0000 52088.5283 -109310.7220 299.3535 -161399.2503 -108937.3956 299.1032 -120.0756 -93.3916 763205.3981 -4.1462 -4.1923 PRESSURE: 4040600 -11.3269 -112.155 158.688 -112.154 -38.8666 35.3454 158.689 35.3459 130.806 GPRESSURE: 4040600 45.9641 -18.6107 166.254 -167.403 -18.7742 -7.16036 199.641 -27.5742 153.3 PRESSAVG: 4040600 5.33388 -76.3738 16.6332 -76.3737 -30.2695 -25.4644 16.6332 -25.4644 -6.57066 GPRESSAVG: 4040600 4.53713 -77.2843 16.3726 -78.2887 -31.3597 -25.9306 16.1767 -24.7116 -4.13473 TIMING: 4040600 CPU: 13090.8, 0.00313728/step Wall: 13090.8, 0.00313728/step, 0.836085 hours remaining, 237.574219 MB of memory in use. ENERGY: 4040600 3953.4069 20610.7640 14441.3033 258.1880 -203620.4267 2889.2831 0.0000 0.0000 52292.6165 -109174.8648 300.5264 -161467.4813 -108810.5343 299.6679 26.8708 60.1632 762502.3402 -10.5021 -10.3191 PRESSURE: 4040800 254.758 88.6134 -20.0492 88.6126 -393.179 -41.9682 -20.0493 -41.9674 147.86 GPRESSURE: 4040800 178.151 94.934 -54.7317 0.430728 -272.675 -53.8786 14.42 80.262 175.963 PRESSAVG: 4040800 132.083 -41.2051 -8.61021 -41.2051 -89.4475 3.18328 -8.61028 3.18324 10.5325 GPRESSAVG: 4040800 132.688 -41.2644 -7.25046 -39.8566 -88.2416 3.42123 -9.49711 3.83056 9.22786 TIMING: 4040800 CPU: 13091.4, 0.0031353/step Wall: 13091.4, 0.0031353/step, 0.835384 hours remaining, 237.574219 MB of memory in use. ENERGY: 4040800 3997.1181 20628.3195 14489.2339 223.9578 -203096.2792 2643.2888 0.0000 0.0000 51872.5042 -109241.8569 298.1120 -161114.3611 -108882.4102 299.5829 3.1465 27.1464 763621.6053 17.7228 17.8915 PRESSURE: 4041000 -74.6327 -148.288 75.8337 -148.288 40.3824 -79.2005 75.8334 -79.2007 4.97131 GPRESSURE: 4041000 -25.1387 -82.6936 140.351 -145.905 101.829 -82.7878 111.243 -25.1024 -9.0539 PRESSAVG: 4041000 -31.8166 -19.3823 -22.8977 -19.3824 0.65479 15.9489 -22.8978 15.9489 7.38187 GPRESSAVG: 4041000 -32.2737 -18.1849 -23.9887 -20.3994 1.05288 16.2128 -22.8084 14.8527 7.78832 TIMING: 4041000 CPU: 13092, 0.00314588/step Wall: 13092, 0.00314588/step, 0.838027 hours remaining, 237.574219 MB of memory in use. ENERGY: 4041000 4061.6716 20459.7644 14412.7072 237.8193 -203027.9715 2511.8137 0.0000 0.0000 52126.7407 -109217.4545 299.5731 -161344.1952 -108865.9078 299.2493 -9.7597 22.5453 762895.1555 -7.9267 -7.8108 PRESSURE: 4041200 -74.5519 -151.533 -257.635 -151.533 60.5129 325.548 -257.635 325.548 341.782 GPRESSURE: 4041200 -6.95561 -182.929 -231.283 -214.723 75.0661 293.793 -230.413 357.545 351.153 PRESSAVG: 4041200 -34.4713 -66.4597 5.87432 -66.4596 39.9958 0.460729 5.87435 0.460776 -23.4735 GPRESSAVG: 4041200 -33.7728 -66.0726 7.02039 -64.8543 38.596 1.6767 5.36493 1.57843 -23.0141 TIMING: 4041200 CPU: 13092.6, 0.00314356/step Wall: 13092.6, 0.00314356/step, 0.837234 hours remaining, 237.574219 MB of memory in use. ENERGY: 4041200 3975.1363 20581.6710 14409.6020 240.5705 -203300.0904 2682.6967 0.0000 0.0000 51949.3193 -109461.0945 298.5535 -161410.4138 -109092.9394 299.0344 109.2476 139.7544 760952.7491 -5.9830 -6.0636 PRESSURE: 4041400 315.569 173.52 24.0449 173.519 205.783 -122.588 24.0442 -122.587 104.939 GPRESSURE: 4041400 358.088 181.663 -10.664 149.824 165.189 -134.372 -76.6325 -146.362 179.059 PRESSAVG: 4041400 50.5013 -43.8158 -14.2933 -43.8159 -30.6272 1.43479 -14.2933 1.43474 -5.8868 GPRESSAVG: 4041400 48.7079 -45.4322 -16.6987 -44.1666 -27.7667 -1.94075 -12.4388 0.770311 -7.2097 TIMING: 4041400 CPU: 13093.3, 0.00316336/step Wall: 13093.3, 0.00316336/step, 0.842333 hours remaining, 237.574219 MB of memory in use. ENERGY: 4041400 3947.9863 20542.0231 14413.4033 255.5044 -203625.0610 2934.3205 0.0000 0.0000 52142.0714 -109389.7520 299.6612 -161531.8234 -109031.3686 299.2265 208.7635 234.1118 761903.9805 4.6625 4.5772 PRESSURE: 4041600 105.454 -39.7582 11.5893 -39.7571 164.49 -13.2272 11.5881 -13.2281 479.763 GPRESSURE: 4041600 111.556 -86.08 -112.154 -105.56 213.715 -12.6982 28.1879 49.7591 501.185 PRESSAVG: 4041600 -36.1976 -54.2571 23.4479 -54.2571 5.54075 -66.7543 23.448 -66.7543 0.029278 GPRESSAVG: 4041600 -35.6317 -51.8238 26.3145 -56.0127 3.67272 -66.9612 19.9659 -65.0399 0.465723 TIMING: 4041600 CPU: 13093.9, 0.00315255/step Wall: 13093.9, 0.00315255/step, 0.83928 hours remaining, 237.574219 MB of memory in use. ENERGY: 4041600 3989.3089 20411.6766 14487.0322 235.1995 -203262.4520 2715.7033 0.0000 0.0000 52238.9146 -109184.6169 300.2178 -161423.5315 -108824.2649 299.1848 249.9023 275.4854 760967.0573 -10.2092 -10.4977 PRESSURE: 4041800 -106.268 6.98662 101.337 6.98587 178.788 -26.916 101.337 -26.9154 43.9632 GPRESSURE: 4041800 -133.336 48.6839 199.088 61.4461 199.683 -207.566 78.0461 -154.312 131.773 PRESSAVG: 4041800 -15.7906 -11.1503 0.399827 -11.1503 4.3466 -84.1036 0.399896 -84.1036 -8.97165 GPRESSAVG: 4041800 -15.7775 -12.9819 0.097474 -8.72537 4.109 -83.55 3.60057 -84.5136 -8.25109 TIMING: 4041800 CPU: 13094.5, 0.0031266/step Wall: 13094.5, 0.0031266/step, 0.832196 hours remaining, 237.574219 MB of memory in use. ENERGY: 4041800 3980.7924 20527.7318 14477.2407 256.0782 -203197.6614 2819.3764 0.0000 0.0000 51949.4896 -109186.9521 298.5544 -161136.4417 -108826.9712 299.1127 38.8278 66.0399 762686.1050 -6.8052 -6.6399 PRESSURE: 4042000 -156.634 -17.5988 211.281 -17.5986 285.173 -161.976 211.28 -161.976 -23.0057 GPRESSURE: 4042000 -54.6049 14.782 214.745 -22.514 276.318 -127.919 62.0787 -262.033 -40.6015 PRESSAVG: 4042000 -58.8834 16.4824 23.7991 16.4824 42.884 -44.5677 23.7991 -44.5676 21.8648 GPRESSAVG: 4042000 -59.076 18.1353 22.4179 14.0504 43.4142 -42.1281 21.2289 -46.7612 21.8452 TIMING: 4042000 CPU: 13095.2, 0.00312186/step Wall: 13095.2, 0.00312186/step, 0.830761 hours remaining, 237.574219 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: 4042000 3965.1268 20511.2563 14437.1822 241.8239 -203080.7741 2492.5621 0.0000 0.0000 52096.3701 -109336.4526 299.3986 -161432.8227 -108971.2466 299.3195 35.1779 60.3704 762937.7272 1.9551 2.0612 PRESSURE: 4042200 145.577 79.5426 -22.8692 79.5431 8.98856 -108.999 -22.8701 -109 -243.274 GPRESSURE: 4042200 116.285 -7.20765 -4.7544 15.2513 -2.69672 -79.2405 45.7125 -231.322 -120.743 PRESSAVG: 4042200 -22.3555 -42.943 -5.26844 -42.9429 22.7125 -13.5133 -5.26846 -13.5133 11.1518 GPRESSAVG: 4042200 -22.2662 -44.9913 -4.75775 -42.579 22.1586 -14.4342 -3.69916 -13.5493 11.7351 TIMING: 4042200 CPU: 13095.8, 0.00312888/step Wall: 13095.8, 0.00312888/step, 0.832457 hours remaining, 237.574219 MB of memory in use. ENERGY: 4042200 3932.2088 20258.6215 14434.5877 269.5912 -203385.9260 2895.9787 0.0000 0.0000 52150.7601 -109444.1781 299.7111 -161594.9381 -109069.6268 298.8790 -29.5693 -2.3849 763597.4885 3.8363 3.8758 PRESSURE: 4042400 453.137 31.2042 -180.523 31.2041 -60.8975 40.4622 -180.523 40.4612 397.537 GPRESSURE: 4042400 488.521 -70.2745 -197.076 10.5492 51.3577 166.175 -250.975 30.0775 348.347 PRESSAVG: 4042400 19.2525 -22.1276 -11.5636 -22.1275 -24.8543 -36.4193 -11.5636 -36.4194 15.8885 GPRESSAVG: 4042400 19.6314 -20.975 -13.4642 -20.9047 -24.2908 -37.5567 -10.2426 -33.7153 15.094 TIMING: 4042400 CPU: 13096.4, 0.00313029/step Wall: 13096.4, 0.00313029/step, 0.832657 hours remaining, 237.574219 MB of memory in use. ENERGY: 4042400 4001.2748 20403.9401 14475.5781 245.3375 -203287.4962 2870.4722 0.0000 0.0000 51844.3943 -109446.4993 297.9504 -161290.8936 -109085.2093 298.5467 263.2589 296.0750 764455.7038 3.4289 3.4782 PRESSURE: 4042600 102.261 153.255 99.9807 153.256 125.4 83.9836 99.9801 83.9839 165.969 GPRESSURE: 4042600 193.63 65.9642 109.513 210.264 47.8881 -3.15881 76.385 -89.3539 270.957 PRESSAVG: 4042600 25.6187 -3.05596 14.8539 -3.05596 -47.7672 -38.342 14.8539 -38.342 -7.44661 GPRESSAVG: 4042600 25.7522 -4.31767 16.6324 -2.03339 -47.7583 -37.9118 13.5128 -39.6565 -7.59432 TIMING: 4042600 CPU: 13097, 0.00315207/step Wall: 13097, 0.00315207/step, 0.838276 hours remaining, 237.574219 MB of memory in use. ENERGY: 4042600 3963.8655 20356.8254 14474.1442 254.0568 -203690.6151 3134.5088 0.0000 0.0000 52130.8560 -109376.3584 299.5967 -161507.2144 -109017.1058 298.3029 131.2100 170.8249 762470.7533 -9.8651 -9.8668 PRESSURE: 4042800 254.638 -226.449 -63.0029 -226.449 209.95 41.266 -63.0037 41.2681 -134.209 GPRESSURE: 4042800 256.451 -179.241 -64.9184 -178.95 310.81 38.2042 1.42445 128.85 -157.244 PRESSAVG: 4042800 19.7216 -77.787 3.0496 -77.787 -21.5138 39.5724 3.04955 39.5723 15.0067 GPRESSAVG: 4042800 19.5634 -76.1183 2.91513 -78.8009 -20.9149 38.3593 3.48348 40.4297 14.745 TIMING: 4042800 CPU: 13097.7, 0.0031347/step Wall: 13097.7, 0.0031347/step, 0.833482 hours remaining, 237.574219 MB of memory in use. ENERGY: 4042800 4009.6716 20570.6916 14452.0991 253.4766 -203217.2931 2637.1229 0.0000 0.0000 51813.7373 -109480.4941 297.7743 -161294.2314 -109117.8630 298.4747 110.1264 136.6723 762091.6544 4.4048 4.4645 PRESSURE: 4043000 392.643 -60.369 145.863 -60.3688 31.3808 138.69 145.864 138.69 277.039 GPRESSURE: 4043000 375.65 -176.344 153.456 21.6289 135.422 102.942 179.953 155.934 264.658 PRESSAVG: 4043000 9.72437 -52.5135 7.71321 -52.5134 -22.0392 20.2836 7.71326 20.2836 -12.8237 GPRESSAVG: 4043000 10.1269 -54.6612 7.55299 -53.7381 -22.1663 22.2798 6.30512 20.1769 -13.3116 TIMING: 4043000 CPU: 13098.3, 0.00311476/step Wall: 13098.3, 0.00311476/step, 0.828006 hours remaining, 237.574219 MB of memory in use. ENERGY: 4043000 3987.5149 20521.6985 14470.5978 236.8236 -203668.6833 2827.2546 0.0000 0.0000 51924.7484 -109700.0456 298.4122 -161624.7940 -109349.0584 298.8946 233.6877 258.5763 761375.6601 -8.3795 -8.4503 PRESSURE: 4043200 272.228 -33.0737 -82.9558 -33.0739 37.7345 5.3534 -82.9554 5.35385 -189.979 GPRESSURE: 4043200 368.415 20.7387 -43.5264 0.274219 49.1898 93.2562 -72.0487 105.534 -186.7 PRESSAVG: 4043200 45.3308 -43.2073 47.9776 -43.2073 -21.133 -9.96329 47.9776 -9.9634 -0.941636 GPRESSAVG: 4043200 45.8854 -41.5646 48.9969 -41.8089 -21.1602 -8.39681 47.87 -10.1263 -1.74992 TIMING: 4043200 CPU: 13098.9, 0.00314787/step Wall: 13098.9, 0.00314787/step, 0.836633 hours remaining, 237.574219 MB of memory in use. ENERGY: 4043200 3906.2835 20479.3129 14404.7743 251.0014 -203284.7919 2719.2235 0.0000 0.0000 52127.8585 -109396.3377 299.5795 -161524.1962 -109026.3833 298.7479 39.9944 76.9683 762306.9212 7.7520 7.6584 PRESSURE: 4043400 -302.48 -23.6451 -165.965 -23.6454 -33.7424 -30.9258 -165.966 -30.9268 -222.9 GPRESSURE: 4043400 -189.636 -28.7493 -66.8437 -64.2896 -76.3908 -49.0516 -172.503 32.742 -219.22 PRESSAVG: 4043400 0.669206 -64.9109 31.5515 -64.9109 30.1406 32.0374 31.5515 32.0374 -8.66757 GPRESSAVG: 4043400 0.246253 -62.712 32.3847 -67.399 28.784 30.9739 31.9487 30.6853 -6.47876 TIMING: 4043400 CPU: 13099.5, 0.00313264/step Wall: 13099.5, 0.00313265/step, 0.832413 hours remaining, 237.574219 MB of memory in use. ENERGY: 4043400 4037.2904 20343.4370 14423.3567 235.8834 -202971.3727 2354.9657 0.0000 0.0000 51959.7207 -109616.7188 298.6132 -161576.4395 -109254.9020 297.9206 -186.3739 -161.7487 761708.6722 7.3807 7.5172 PRESSURE: 4043600 -213.099 8.15712 -81.311 8.15746 -291.909 216.733 -81.3113 216.732 155.537 GPRESSURE: 4043600 -152.404 -11.949 -51.0542 76.5684 -267.583 259.85 -179.74 152.763 141.343 PRESSAVG: 4043600 -5.40196 11.1833 -9.88945 11.1832 2.75533 -4.74449 -9.88952 -4.74443 -3.68998 GPRESSAVG: 4043600 -5.32051 9.25595 -11.587 12.8057 2.68899 -5.51532 -10.1225 -3.97684 -3.96837 TIMING: 4043600 CPU: 13100.2, 0.00310455/step Wall: 13100.2, 0.00310455/step, 0.824775 hours remaining, 237.574219 MB of memory in use. ENERGY: 4043600 3865.8036 20363.1147 14310.0275 249.5859 -202902.0618 2279.2446 0.0000 0.0000 52194.7801 -109639.5053 299.9641 -161834.2854 -109283.5348 298.6882 -116.4900 -92.8814 761546.3146 -2.1122 -2.2000 PRESSURE: 4043800 -335.671 65.95 177.691 65.9499 -273.184 -91.1766 177.692 -91.1776 666.019 GPRESSURE: 4043800 -255.563 116.303 102.75 81.4981 -246.074 -59.4969 88.2546 -0.266157 657.494 PRESSAVG: 4043800 -43.4867 58.1484 20.6767 58.1484 -28.3337 -10.6824 20.6767 -10.6824 -0.79073 GPRESSAVG: 4043800 -43.7777 59.8796 20.6828 56.97 -27.2683 -9.88451 22.5778 -8.79 -1.4772 TIMING: 4043800 CPU: 13100.8, 0.00312809/step Wall: 13100.8, 0.00312809/step, 0.830854 hours remaining, 237.574219 MB of memory in use. ENERGY: 4043800 3973.1972 20519.2880 14415.6120 226.7682 -203161.3077 2488.0093 0.0000 0.0000 51997.2438 -109541.1892 298.8289 -161538.4330 -109189.5352 298.5261 19.0550 51.9523 761134.9007 -24.2037 -24.1744 PRESSURE: 4044000 123.402 107.203 127.824 107.204 401.823 396.757 127.825 396.757 -151.601 GPRESSURE: 4044000 192.928 65.1594 96.11 -8.11549 433.75 316.316 101.029 357.686 -183.758 PRESSAVG: 4044000 1.42097 -14.6486 12.9642 -14.6486 -12.4686 -28.1285 12.9641 -28.1285 52.8294 GPRESSAVG: 4044000 0.222915 -17.2503 13.4568 -14.0927 -12.3669 -28.8165 10.2759 -30.8954 53.4732 TIMING: 4044000 CPU: 13101.4, 0.00313144/step Wall: 13101.4, 0.00313144/step, 0.831571 hours remaining, 237.574219 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: 4044000 3988.8909 20434.4638 14437.9679 253.5297 -203232.0596 2587.9528 0.0000 0.0000 52089.4447 -109439.8099 299.3588 -161529.2545 -109080.3554 298.6843 124.5412 147.6398 762237.5141 13.9273 13.7764 PRESSURE: 4044200 93.8817 -72.5137 -21.1854 -72.5145 -120.562 -109.435 -21.185 -109.435 -204.174 GPRESSURE: 4044200 24.6672 -18.5083 -52.061 -151.289 -62.8692 -131.206 33.1605 -141.262 -114.413 PRESSAVG: 4044200 -22.6169 -80.0615 -17.2603 -80.0615 33.1921 0.336537 -17.2602 0.336589 -9.79628 GPRESSAVG: 4044200 -21.7109 -80.5492 -15.623 -79.3106 33.6591 0.415309 -18.0986 2.21719 -10.7849 TIMING: 4044200 CPU: 13102, 0.00314821/step Wall: 13102, 0.00314821/step, 0.835851 hours remaining, 237.574219 MB of memory in use. ENERGY: 4044200 3943.4527 20640.0821 14464.6071 252.8977 -203040.2744 2350.1171 0.0000 0.0000 51814.2174 -109574.9004 297.7770 -161389.1178 -109216.9085 298.7720 -76.9513 -50.8717 760883.0494 0.2596 0.3878 LDB: ============= START OF LOAD BALANCING ============== 13114.5 LDB: ============== END OF LOAD BALANCING =============== 13114.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13114.5 LDB: ============= START OF LOAD BALANCING ============== 13114.8 LDB: Largest compute 7078 load 0.033977 is 17.4% of average load 0.195566 LDB: Average compute 0.004394 is 2.2% of average load 0.195566 LDB: TIME 13114.8 LOAD: AVG 0.195566 MAX 0.22002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 13114.8 LOAD: AVG 0.195566 MAX 0.22002 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 13114.8 LOAD: AVG 0.195566 MAX 0.216988 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 13114.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13114.8 PRESSURE: 4044400 -301.021 138.985 56.7139 138.986 -182.298 109.945 56.7142 109.945 37.198 GPRESSURE: 4044400 -277.857 79.9818 135.924 130.586 -166.896 120.095 79.1274 51.7859 107.887 PRESSAVG: 4044400 7.93386 -40.7981 -17.9202 -40.798 -42.6567 75.3195 -17.9203 75.3196 23.2553 GPRESSAVG: 4044400 6.78116 -40.1627 -20.1265 -41.1138 -42.7642 75.409 -16.3559 74.9038 24.3872 TIMING: 4044400 CPU: 13102.7, 0.00322468/step Wall: 13102.7, 0.00322468/step, 0.855974 hours remaining, 235.199219 MB of memory in use. ENERGY: 4044400 3953.3386 20488.9764 14443.6703 242.1555 -202918.7545 2226.6178 0.0000 0.0000 51836.2516 -109727.7443 297.9037 -161563.9959 -109365.6421 298.8232 -148.7070 -112.2888 760605.1565 -3.8225 -3.8653 PRESSURE: 4044600 84.6766 82.3215 259.089 82.3206 174.007 -73.8374 259.089 -73.8382 295.429 GPRESSURE: 4044600 64.3582 64.2459 305.728 47.6129 174.098 27.4749 257.917 -50.5583 394.395 PRESSAVG: 4044600 -1.04216 -16.3317 -21.8423 -16.3317 -4.04856 17.3751 -21.8423 17.375 -9.35369 GPRESSAVG: 4044600 -0.354849 -15.4606 -21.8273 -15.9528 -4.57347 18.0291 -22.1328 18.0558 -9.03265 TIMING: 4044600 CPU: 13103.3, 0.00314418/step Wall: 13103.3, 0.00314418/step, 0.83443 hours remaining, 235.199219 MB of memory in use. ENERGY: 4044600 3885.4983 20453.2058 14484.3567 268.0745 -203266.2360 2444.8720 0.0000 0.0000 52135.5252 -109594.7035 299.6236 -161730.2287 -109238.8683 299.4085 184.7042 210.9506 759950.4275 -4.8148 -4.6537 PRESSURE: 4044800 21.1157 -104.957 282.009 -104.957 123.551 -122.849 282.009 -122.848 111.122 GPRESSURE: 4044800 81.5887 -129.44 279.643 -110.041 170.164 -119.717 148.312 -144.299 114.304 PRESSAVG: 4044800 1.38706 -18.0811 31.3308 -18.0811 29.4617 -20.9958 31.3309 -20.9958 9.58919 GPRESSAVG: 4044800 2.12569 -18.6132 30.9037 -20.006 29.5187 -22.4651 30.1136 -20.7542 8.21085 TIMING: 4044800 CPU: 13103.9, 0.00312659/step Wall: 13103.9, 0.00312659/step, 0.829589 hours remaining, 235.199219 MB of memory in use. ENERGY: 4044800 3946.4555 20546.4822 14438.2205 243.0370 -203283.7011 2671.2786 0.0000 0.0000 51882.3659 -109555.8615 298.1687 -161438.2274 -109201.2648 298.3743 85.2631 122.0191 760279.9549 13.4793 13.2851 PRESSURE: 4045000 205.176 4.65143 180.235 4.6508 -222.143 -114.257 180.235 -114.257 263.805 GPRESSURE: 4045000 190.441 -19.3583 169.825 -46.1926 -207.309 -142.746 177.832 -143.706 341.57 PRESSAVG: 4045000 -6.18831 -72.4144 61.2832 -72.4144 -3.82022 -27.862 61.2832 -27.8621 -8.11083 GPRESSAVG: 4045000 -6.37093 -72.6444 62.2507 -72.1728 -4.62157 -27.5669 61.9066 -29.9899 -7.0747 TIMING: 4045000 CPU: 13104.6, 0.00312642/step Wall: 13104.6, 0.00312642/step, 0.829369 hours remaining, 235.457031 MB of memory in use. ENERGY: 4045000 3969.9656 20361.0921 14421.7752 251.1333 -203004.3731 2376.0870 0.0000 0.0000 51911.5407 -109712.7792 298.3363 -161624.3199 -109354.9513 298.1690 82.2793 108.2338 760804.1510 -6.0398 -6.0224 PRESSURE: 4045200 55.819 -230.754 -92.5015 -230.754 -229.381 -136.445 -92.502 -136.444 318.102 GPRESSURE: 4045200 70.8557 -200.695 -16.7347 -105.525 -125.239 -81.6702 -95.9507 -8.66662 266.076 PRESSAVG: 4045200 5.93163 -25.5045 53.2016 -25.5044 -35.9067 -17.08 53.2015 -17.0801 19.4992 GPRESSAVG: 4045200 6.14244 -23.95 51.9832 -25.1765 -34.8209 -16.1357 52.6675 -14.6789 18.0576 TIMING: 4045200 CPU: 13105.2, 0.00314955/step Wall: 13105.2, 0.00314955/step, 0.83533 hours remaining, 235.457031 MB of memory in use. ENERGY: 4045200 3971.8046 20521.0786 14436.7286 253.0179 -203149.9664 2283.7857 0.0000 0.0000 52037.6472 -109645.9038 299.0611 -161683.5509 -109296.6502 298.1169 48.1800 70.5642 760267.9853 -3.4919 -3.5403 PRESSURE: 4045400 -254.415 -149.97 -62.1141 -149.969 -333.778 -186.565 -62.1142 -186.565 407.188 GPRESSURE: 4045400 -238.073 -107.329 -123.252 -208.236 -205.248 -200.985 -7.77787 -175.351 343.508 PRESSAVG: 4045400 18.2455 -53.5512 13.8398 -53.5512 11.4039 -40.1582 13.8398 -40.1582 -18.2547 GPRESSAVG: 4045400 17.0643 -53.2235 14.0579 -52.287 11.8307 -41.0827 15.4897 -41.0307 -17.2696 TIMING: 4045400 CPU: 13105.8, 0.00315453/step Wall: 13105.8, 0.00315453/step, 0.836476 hours remaining, 235.457031 MB of memory in use. ENERGY: 4045400 3940.2634 20536.9841 14506.5088 253.4245 -203370.4951 2647.1988 0.0000 0.0000 51950.0838 -109536.0317 298.5578 -161486.1156 -109172.4190 298.9946 -60.3350 -33.2712 760602.1099 3.7982 3.8751 PRESSURE: 4045600 24.6151 -268.996 -35.7708 -268.997 59.2902 -0.839768 -35.7702 -0.839073 152.753 GPRESSURE: 4045600 72.9046 -247.035 27.9901 -223.089 122.975 -130.378 12.3411 -7.2818 121.945 PRESSAVG: 4045600 -8.06137 -35.5148 38.5217 -35.5148 39.2877 -3.43934 38.5217 -3.43939 2.47019 GPRESSAVG: 4045600 -7.4111 -36.795 39.3343 -35.6657 38.7369 -3.59963 38.4461 -4.43948 2.64072 TIMING: 4045600 CPU: 13106.5, 0.00314374/step Wall: 13106.5, 0.00314374/step, 0.83344 hours remaining, 235.457031 MB of memory in use. ENERGY: 4045600 3939.1472 20445.6804 14538.6781 251.2943 -203319.5722 2530.8223 0.0000 0.0000 52179.6464 -109434.3034 299.8771 -161613.9498 -109066.0883 298.8834 78.8862 105.9416 760964.7531 11.2322 11.3222 PRESSURE: 4045800 -131.216 -125.601 157.631 -125.6 124.557 -16.8326 157.631 -16.8335 264.589 GPRESSURE: 4045800 -95.3494 -130.303 120.62 -161.068 98.9343 -16.0854 202.785 54.8395 318.369 PRESSAVG: 4045800 -26.2967 -67.5172 1.24684 -67.5173 45.7886 -29.22 1.24679 -29.2199 -33.1782 GPRESSAVG: 4045800 -27.3408 -67.308 1.27911 -68.0439 45.3449 -28.0619 1.37494 -28.4655 -32.2239 TIMING: 4045800 CPU: 13107.1, 0.0031433/step Wall: 13107.1, 0.0031433/step, 0.833148 hours remaining, 235.457031 MB of memory in use. ENERGY: 4045800 3892.0529 20564.5416 14541.4098 239.9245 -203107.2857 2442.4535 0.0000 0.0000 51993.6728 -109433.2306 298.8084 -161426.9034 -109073.3017 299.0068 85.9766 107.3178 761170.0096 -4.5621 -4.7400 PRESSURE: 4046000 -145.871 -326.944 -58.0147 -326.945 -165.879 131.387 -58.0145 131.389 -381.379 GPRESSURE: 4046000 -179.013 -292.268 -30.3231 -258.209 -91.6215 52.7333 1.0508 140.326 -330.79 PRESSAVG: 4046000 -20.4563 -64.9108 -14.4603 -64.9108 56.9279 -60.8571 -14.4603 -60.8572 8.97069 GPRESSAVG: 4046000 -20.0066 -63.2572 -13.5312 -65.9492 57.7074 -62.3951 -15.0015 -62.2469 7.70045 TIMING: 4046000 CPU: 13107.7, 0.00314286/step Wall: 13107.7, 0.00314286/step, 0.832859 hours remaining, 235.457031 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: 4046000 3927.2312 20544.9728 14536.0338 232.6869 -203224.5579 2515.7330 0.0000 0.0000 52027.5660 -109440.3343 299.0031 -161467.9003 -109092.0880 299.0454 -231.0432 -200.4747 759886.4065 15.1474 15.1338 PRESSURE: 4046200 83.5014 150.523 -38.8753 150.523 161.884 117.88 -38.8759 117.88 214.76 GPRESSURE: 4046200 49.8282 156.857 -130.852 -14.9911 323.83 88.9792 -59.2994 73.7066 186.53 PRESSAVG: 4046200 -18.6723 -56.8009 -0.374707 -56.8009 -18.2581 43.0271 -0.374748 43.0271 24.6943 GPRESSAVG: 4046200 -18.5572 -57.6312 -1.37424 -56.4709 -18.3232 43.8296 -1.36802 46.1654 24.4299 TIMING: 4046200 CPU: 13108.3, 0.00314394/step Wall: 13108.3, 0.00314394/step, 0.83297 hours remaining, 235.457031 MB of memory in use. ENERGY: 4046200 4047.9294 20376.5500 14528.6576 234.7705 -203296.8630 2633.5349 0.0000 0.0000 52123.2924 -109352.1282 299.5533 -161475.4206 -108994.6273 299.4465 153.3819 186.7296 761844.1898 -4.0787 -4.1501 PRESSURE: 4046400 -26.4911 79.0823 -141.342 79.0813 -8.86261 114.679 -141.342 114.678 154.409 GPRESSURE: 4046400 -86.0636 12.6408 -149.641 81.6769 113.282 180.254 -16.4572 32.2841 180.978 PRESSAVG: 4046400 -15.6201 -39.1782 4.4919 -39.1782 -11.0376 -17.0971 4.49188 -17.0971 -5.90635 GPRESSAVG: 4046400 -16.9255 -40.5043 4.83449 -39.6778 -10.4644 -18.1817 7.04167 -18.6545 -5.3849 TIMING: 4046400 CPU: 13109, 0.00312792/step Wall: 13109, 0.00312792/step, 0.828552 hours remaining, 235.457031 MB of memory in use. ENERGY: 4046400 4082.4718 20350.4611 14490.8908 255.0073 -203240.9099 2695.7118 0.0000 0.0000 52079.8218 -109286.5452 299.3035 -161366.3670 -108922.7053 299.7569 39.6850 69.3989 762751.0751 -10.8547 -10.9249 PRESSURE: 4046600 -192.061 116.108 -66.6106 116.107 -172.89 -258.527 -66.6107 -258.527 -230.714 GPRESSURE: 4046600 -171.801 179.666 26.3521 208.707 -97.8513 -255.881 -4.4348 -151.857 -234.989 PRESSAVG: 4046600 -26.4211 36.0247 45.8541 36.0247 37.7196 -11.4863 45.8541 -11.4862 30.196 GPRESSAVG: 4046600 -26.0891 37.0651 45.636 35.2254 38.4907 -10.3376 45.6423 -11.2088 29.4924 TIMING: 4046600 CPU: 13109.6, 0.00313608/step Wall: 13109.6, 0.00313608/step, 0.830539 hours remaining, 235.457031 MB of memory in use. ENERGY: 4046600 3996.3844 20575.2334 14456.3955 235.3479 -203364.0681 2533.1623 0.0000 0.0000 52299.5462 -109267.9983 300.5662 -161567.5445 -108913.6522 299.1983 -198.5549 -168.2137 762685.5581 13.8315 13.9647 PRESSURE: 4046800 402.699 16.4153 228.92 16.4156 67.5759 -256.579 228.921 -256.578 199.063 GPRESSURE: 4046800 402.872 136.69 168.744 -91.3067 131.281 -266.152 193.748 -276.369 210.404 PRESSAVG: 4046800 24.2275 14 44.3661 14 -13.8834 41.4145 44.3662 41.4145 -7.51837 GPRESSAVG: 4046800 24.9884 14.3445 45.9172 13.2383 -14.672 39.7014 41.6134 41.1882 -8.02741 TIMING: 4046800 CPU: 13110.2, 0.00310643/step Wall: 13110.2, 0.00310643/step, 0.822514 hours remaining, 235.457031 MB of memory in use. ENERGY: 4046800 3970.3315 20660.8991 14463.6279 249.2674 -203466.5545 2660.7084 0.0000 0.0000 52320.0615 -109141.6587 300.6841 -161461.7202 -108782.0314 299.6484 223.1127 248.1858 762297.7322 0.9419 0.7630 PRESSURE: 4047000 99.8931 -103.986 -0.714361 -103.986 148.71 99.2197 -0.714396 99.2197 -400.578 GPRESSURE: 4047000 140.244 -173.819 -7.73197 -87.8376 161.642 10.5432 93.6495 155.314 -350.041 PRESSAVG: 4047000 32.3877 -29.8405 20.0311 -29.8405 -53.843 4.93117 20.0311 4.93113 -14.6001 GPRESSAVG: 4047000 31.8093 -31.8432 18.7545 -26.8789 -53.6526 6.4299 22.0836 4.46801 -13.6585 TIMING: 4047000 CPU: 13110.8, 0.00309566/step Wall: 13110.8, 0.00309566/step, 0.819491 hours remaining, 235.457031 MB of memory in use. ENERGY: 4047000 4013.2426 20499.1792 14492.8156 261.1609 -203264.3888 2636.6714 0.0000 0.0000 52124.0292 -109237.2899 299.5575 -161361.3191 -108864.9552 299.3373 -50.6584 -16.0521 761821.4902 -12.0185 -11.8339 PRESSURE: 4047200 25.2982 215.75 234.528 215.75 -276.934 11.1434 234.529 11.1434 -192.79 GPRESSURE: 4047200 86.7782 198.445 279.822 314.285 -249.353 -39.7147 143.345 3.4133 -174.682 PRESSAVG: 4047200 32.7625 61.833 -9.64013 61.8331 -46.308 -13.6216 -9.6401 -13.6215 4.80308 GPRESSAVG: 4047200 32.3814 62.0972 -10.3915 63.2716 -46.6746 -15.3947 -9.47642 -14.2415 5.30765 TIMING: 4047200 CPU: 13111.5, 0.00313079/step Wall: 13111.5, 0.00313079/step, 0.828615 hours remaining, 235.457031 MB of memory in use. ENERGY: 4047200 4067.9660 20492.8343 14497.8235 239.3528 -203167.0525 2738.5081 0.0000 0.0000 51833.3948 -109297.1730 297.8872 -161130.5678 -108939.7676 299.3768 -148.1417 -112.4190 762637.8217 -2.9141 -2.9952 PRESSURE: 4047400 77.7949 90.5724 -37.4109 90.5731 -159.821 69.621 -37.4116 69.6219 319.837 GPRESSURE: 4047400 116.343 84.3426 -91.4173 -18.1045 -109.161 2.31641 87.3014 76.6634 327.462 PRESSAVG: 4047400 11.5363 35.6747 57.9385 35.6747 -0.557271 -31.8124 57.9385 -31.8124 -2.61958 GPRESSAVG: 4047400 11.623 39.2752 58.9107 32.7754 -0.238289 -29.809 56.7481 -31.4282 -2.61372 TIMING: 4047400 CPU: 13112.1, 0.00314309/step Wall: 13112.1, 0.00314309/step, 0.831697 hours remaining, 235.457031 MB of memory in use. ENERGY: 4047400 3991.7458 20307.1242 14516.0199 243.4878 -203118.3347 2411.3904 0.0000 0.0000 52221.2318 -109427.3348 300.1161 -161648.5667 -109071.2790 298.8664 79.2700 111.5479 761826.4137 2.7865 2.9237 PRESSURE: 4047600 107.425 -30.5581 117.929 -30.5586 -186.458 -59.5396 117.928 -59.5389 -164.176 GPRESSURE: 4047600 161.573 -61.9252 134.561 41.206 -71.6841 2.34049 77.1103 -19.7302 -244.604 PRESSAVG: 4047600 70.7383 -33.5183 89.1544 -33.5183 -57.9432 7.25414 89.1544 7.25418 28.6226 GPRESSAVG: 4047600 70.6361 -35.68 85.4384 -34.2519 -58.5043 8.5344 91.8343 6.17019 29.2311 TIMING: 4047600 CPU: 13112.7, 0.00315294/step Wall: 13112.7, 0.00315294/step, 0.834129 hours remaining, 235.457031 MB of memory in use. ENERGY: 4047600 3976.0628 20432.8412 14548.3726 243.7896 -203339.9136 2647.4703 0.0000 0.0000 52093.3300 -109398.0470 299.3811 -161491.3770 -109032.6185 298.9833 -81.0699 -51.5718 762786.9264 13.8059 13.7876 PRESSURE: 4047800 -41.6652 -104.444 -65.7972 -104.444 -59.7479 73.3005 -65.7975 73.3005 -27.3148 GPRESSURE: 4047800 -51.1518 -23.2021 -55.0548 -12.902 50.994 97.7195 -46.8816 -40.1063 -47.5579 PRESSAVG: 4047800 70.122 -78.1756 45.7244 -78.1756 -66.6317 -12.7238 45.7245 -12.7238 -3.91158 GPRESSAVG: 4047800 70.794 -78.7627 48.1192 -76.0668 -67.0625 -15.6152 41.8175 -12.4126 -4.13574 TIMING: 4047800 CPU: 13113.4, 0.0031411/step Wall: 13113.4, 0.0031411/step, 0.83082 hours remaining, 235.457031 MB of memory in use. ENERGY: 4047800 3899.3926 20430.8963 14553.6980 246.0412 -203234.9815 2568.4582 0.0000 0.0000 51967.1571 -109569.3380 298.6560 -161536.4951 -109200.3433 298.7626 -42.9093 -15.9052 761367.7344 -0.1405 -0.1348 PRESSURE: 4048000 -149.204 89.9287 -292.294 89.9289 -127.433 -40.5878 -292.294 -40.5896 -503.093 GPRESSURE: 4048000 -6.42338 -17.2185 -270.78 29.3847 -101.388 58.9453 -291.553 -107.836 -572.314 PRESSAVG: 4048000 81.5698 -56.9003 31.5234 -56.9003 -92.7077 -13.4242 31.5234 -13.4242 9.09555 GPRESSAVG: 4048000 82.6681 -58.9141 31.1078 -57.5206 -92.9107 -11.8114 32.5903 -14.1521 8.26999 TIMING: 4048000 CPU: 13114, 0.00313674/step Wall: 13114, 0.00313674/step, 0.829493 hours remaining, 235.457031 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: 4048000 4031.4315 20349.1911 14522.1968 243.3563 -203076.1882 2238.5398 0.0000 0.0000 52110.5990 -109580.8738 299.4803 -161691.4728 -109219.3474 298.6540 -259.9100 -226.7083 761403.1111 -0.6808 -0.6575 PRESSURE: 4048200 -52.6915 -12.6124 49.8233 -12.6118 -157.296 118.747 49.8234 118.747 55.0978 GPRESSURE: 4048200 -147.448 82.1988 68.5338 85.1516 -126.182 -4.15715 2.16273 156.954 186.226 PRESSAVG: 4048200 -11.636 -30.8575 -14.2529 -30.8575 16.7545 43.0535 -14.2529 43.0534 6.68523 GPRESSAVG: 4048200 -12.5809 -29.2835 -14.0455 -31.9673 17.3998 41.5797 -13.6303 45.9834 6.77023 TIMING: 4048200 CPU: 13114.6, 0.00314716/step Wall: 13114.6, 0.00314716/step, 0.832075 hours remaining, 235.457031 MB of memory in use. ENERGY: 4048200 3944.5267 20513.1189 14486.2999 255.4091 -203063.3795 2527.7831 0.0000 0.0000 51929.1389 -109407.1029 298.4375 -161336.2418 -109051.1714 298.9017 -51.6300 -29.1346 762178.5461 3.9346 3.8630 LDB: ============= START OF LOAD BALANCING ============== 13127 LDB: ============== END OF LOAD BALANCING =============== 13127 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13127 LDB: ============= START OF LOAD BALANCING ============== 13127.3 LDB: Largest compute 7058 load 0.033669 is 17.2% of average load 0.195626 LDB: Average compute 0.004395 is 2.2% of average load 0.195626 LDB: TIME 13127.3 LOAD: AVG 0.195626 MAX 0.215977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 13127.3 LOAD: AVG 0.195626 MAX 0.215977 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 13127.3 LOAD: AVG 0.195626 MAX 0.215977 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 13127.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13127.4 PRESSURE: 4048400 337.062 147.545 109.605 147.544 -57.6654 24.7518 109.605 24.7529 231.782 GPRESSURE: 4048400 380.519 127.724 58.631 259.782 -62.0209 0.589293 168.873 16.854 262.897 PRESSAVG: 4048400 45.2442 2.47815 4.57618 2.47809 -0.946919 -1.54329 4.57619 -1.54327 6.1934 GPRESSAVG: 4048400 43.868 0.864688 3.73008 5.40078 -0.898783 1.09292 4.55685 -4.62683 7.35942 TIMING: 4048400 CPU: 13115.2, 0.00320848/step Wall: 13115.2, 0.00320848/step, 0.848107 hours remaining, 234.683594 MB of memory in use. ENERGY: 4048400 3984.2748 20571.1664 14497.6193 245.1354 -203499.4294 2787.2075 0.0000 0.0000 52114.8651 -109299.1608 299.5048 -161414.0259 -108940.5742 299.8737 170.3931 193.7982 760687.1124 16.8302 16.7762 PRESSURE: 4048600 245.765 180.149 271.934 180.149 -190.879 69.8007 271.934 69.7997 -212.846 GPRESSURE: 4048600 228.629 230.05 270.874 60.2219 -146.963 -38.4906 230.835 198.333 -171.441 PRESSAVG: 4048600 65.4655 -41.8763 24.8334 -41.8762 -61.7753 53.9447 24.8334 53.9449 -8.3709 GPRESSAVG: 4048600 68.0398 -43.2174 25.343 -44.0358 -63.2749 51.9072 25.4087 56.5932 -9.33763 TIMING: 4048600 CPU: 13115.9, 0.00313053/step Wall: 13115.9, 0.00313053/step, 0.827329 hours remaining, 234.882812 MB of memory in use. ENERGY: 4048600 3997.5767 20539.2390 14451.9483 252.5967 -203895.9658 3042.3780 0.0000 0.0000 52304.6791 -109307.5481 300.5957 -161612.2272 -108937.5995 299.3648 -52.6536 -29.9249 761192.7183 -1.5602 -1.5242 PRESSURE: 4048800 370.292 -230.585 -135.845 -230.586 300.672 43.4716 -135.845 43.4723 -77.4488 GPRESSURE: 4048800 333.742 -146.409 -223.931 -142.302 317.02 57.0164 -163.619 138.569 43.8105 PRESSAVG: 4048800 18.8849 5.82302 -23.713 5.82309 -1.79152 11.6528 -23.7129 11.6528 10.7315 GPRESSAVG: 4048800 17.2682 9.373 -23.2764 4.06995 -0.8206 11.979 -26.0217 11.3867 11.4357 TIMING: 4048800 CPU: 13116.5, 0.0031401/step Wall: 13116.5, 0.0031401/step, 0.829684 hours remaining, 234.882812 MB of memory in use. ENERGY: 4048800 3942.9329 20336.3134 14534.7771 242.3869 -203439.3814 2842.6850 0.0000 0.0000 52424.3869 -109115.8992 301.2837 -161540.2861 -108741.0456 299.4628 197.8384 231.5243 764068.4203 9.2750 9.2944 PRESSURE: 4049000 -146.914 -27.2733 150.35 -27.274 -50.3193 137.308 150.35 137.308 -6.94407 GPRESSURE: 4049000 -74.7556 -12.3494 141.532 -19.2585 -50.969 157.636 270.437 184.423 -13.0866 PRESSAVG: 4049000 -107.462 2.15313 4.00326 2.15318 54.5471 58.8387 4.00323 58.8388 -16.7792 GPRESSAVG: 4049000 -107.063 0.221632 3.55553 3.81971 54.5891 59.8135 5.76218 57.3064 -16.89 TIMING: 4049000 CPU: 13117.1, 0.00312091/step Wall: 13117.1, 0.00312091/step, 0.82444 hours remaining, 234.882812 MB of memory in use. ENERGY: 4049000 4048.4412 20381.3460 14483.6449 247.9909 -203042.1518 2621.5514 0.0000 0.0000 52076.1753 -109183.0022 299.2825 -161259.1775 -108813.1002 299.4260 -68.0593 -46.2704 764443.3654 -23.2314 -23.1214 PRESSURE: 4049200 -435.145 111.42 -197.102 111.421 -353.997 160.949 -197.103 160.95 -169.388 GPRESSURE: 4049200 -446.399 -15.4291 -196.394 45.0627 -269.158 116.607 -187.267 126.856 -144.143 PRESSAVG: 4049200 -6.02474 -37.1882 40.1687 -37.1883 29.3227 -8.02289 40.1686 -8.0229 46.9694 GPRESSAVG: 4049200 -5.87038 -36.8486 39.303 -38.1727 29.3116 -9.17061 38.7651 -6.25998 47.0513 TIMING: 4049200 CPU: 13117.8, 0.00312078/step Wall: 13117.8, 0.00312078/step, 0.824232 hours remaining, 234.882812 MB of memory in use. ENERGY: 4049200 4018.2392 20538.3077 14493.5975 227.2544 -203346.0131 2585.6889 0.0000 0.0000 51915.6879 -109567.2377 298.3602 -161482.9256 -109203.0588 299.2484 -319.5098 -286.5667 763463.9888 23.4224 23.4975 PRESSURE: 4049400 -18.6879 -46.5945 20.0243 -46.595 114.617 -140.72 20.0245 -140.72 80.3596 GPRESSURE: 4049400 18.7144 -41.5201 110.412 -92.5069 122.642 -118.688 190.518 -127.949 84.1561 PRESSAVG: 4049400 5.70174 -34.6764 33.7312 -34.6763 5.08509 27.9303 33.7311 27.9303 -4.49719 GPRESSAVG: 4049400 3.90275 -33.7198 34.4223 -35.0034 6.60131 29.9035 34.8643 26.267 -4.43103 TIMING: 4049400 CPU: 13118.4, 0.0031248/step Wall: 13118.4, 0.0031248/step, 0.82512 hours remaining, 234.953125 MB of memory in use. ENERGY: 4049400 3956.7208 20541.2438 14478.9430 261.5691 -204074.3211 3111.4054 0.0000 0.0000 52192.5183 -109531.9208 299.9511 -161724.4391 -109174.9058 299.1455 58.7627 75.1708 762574.2802 2.0965 2.0243 PRESSURE: 4049600 -76.773 -108.178 -39.0359 -108.178 -88.671 -163.843 -39.0363 -163.843 222.174 GPRESSURE: 4049600 -16.0547 -152.641 8.88616 -66.634 -88.5993 -105.712 6.60584 -125.548 252.001 PRESSAVG: 4049600 6.79582 -34.8164 25.544 -34.8164 15.7883 21.7252 25.544 21.7251 -3.37748 GPRESSAVG: 4049600 8.13381 -36.4595 24.529 -33.5756 13.52 20.5339 25.7443 24.7618 -2.66976 TIMING: 4049600 CPU: 13119, 0.00315102/step Wall: 13119, 0.00315102/step, 0.831869 hours remaining, 234.953125 MB of memory in use. ENERGY: 4049600 3979.1740 20477.2354 14560.0216 244.0743 -203601.0352 2667.7417 0.0000 0.0000 51851.0998 -109821.6884 297.9890 -161672.7883 -109452.4746 298.5331 18.9101 49.1157 762824.8451 6.4022 6.3280 PRESSURE: 4049800 -137.331 -9.33879 -23.9294 -9.3387 -308.303 -165.877 -23.9287 -165.878 -311.797 GPRESSURE: 4049800 -145.127 35.1691 -49.4342 -1.8581 -170.676 -172.32 -26.3692 -259.047 -360.898 PRESSAVG: 4049800 -6.27338 -15.6231 -3.35934 -15.6231 -28.9572 19.939 -3.35935 19.9389 1.58054 GPRESSAVG: 4049800 -5.09822 -15.1642 -1.90845 -17.1205 -29.1232 19.1091 -3.7506 17.934 0.649488 TIMING: 4049800 CPU: 13119.6, 0.00310536/step Wall: 13119.6, 0.00310536/step, 0.819642 hours remaining, 234.953125 MB of memory in use. ENERGY: 4049800 3958.1681 20527.8321 14543.9750 245.4031 -203598.8099 2723.7217 0.0000 0.0000 52059.8809 -109539.8290 299.1889 -161599.7099 -109181.6543 298.8050 -252.4770 -225.5668 761194.6290 -11.2167 -11.1907 PRESSURE: 4050000 40.8307 -226.311 -147.818 -226.311 25.598 -34.021 -147.819 -34.0207 141.154 GPRESSURE: 4050000 -0.143003 -203.883 -123.155 -148.792 134.373 -58.3983 -36.396 -42.9734 169.799 PRESSAVG: 4050000 5.82759 24.0567 28.5433 24.0567 10.1183 -9.89492 28.5433 -9.89494 16.4124 GPRESSAVG: 4050000 3.97437 24.5623 28.1865 25.951 12.2748 -9.57111 30.3309 -9.54273 16.1445 TIMING: 4050000 CPU: 13120.3, 0.00311716/step Wall: 13120.3, 0.00311716/step, 0.822585 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4050000 3960.7153 20630.3220 14409.5892 266.8625 -204001.7040 2946.3671 0.0000 0.0000 52151.4283 -109636.4197 299.7150 -161787.8480 -109276.1325 299.0861 69.1941 101.3428 761238.1773 10.7861 10.7979 PRESSURE: 4050200 363.987 -95.3008 -4.57334 -95.301 235.323 -280.652 -4.57357 -280.652 137.174 GPRESSURE: 4050200 410.997 -51.6837 -45.4382 -135.313 230.669 -222.105 106.629 -339.896 181.362 PRESSAVG: 4050200 -1.70421 -79.4903 36.3099 -79.4904 -36.5937 17.0354 36.31 17.0354 7.34557 GPRESSAVG: 4050200 -1.06771 -79.0414 36.9883 -78.4399 -38.4194 18.7257 33.4908 15.5535 8.53238 TIMING: 4050200 CPU: 13120.9, 0.00311918/step Wall: 13120.9, 0.00311918/step, 0.822945 hours remaining, 234.953125 MB of memory in use. ENERGY: 4050200 3944.6544 20429.6209 14464.1031 236.9490 -203497.6686 2676.7885 0.0000 0.0000 52122.9964 -109622.5563 299.5516 -161745.5527 -109252.1000 298.9358 245.4949 274.3429 761337.5153 -10.3175 -10.3182 PRESSURE: 4050400 -100.538 -186.365 180.583 -186.365 -272.094 -198.539 180.583 -198.539 132.968 GPRESSURE: 4050400 -27.1357 -122.712 219.045 -187.406 -196.678 -179.031 210.269 -195.704 69.562 PRESSAVG: 4050400 41.8303 -98.2293 11.3152 -98.2293 6.54343 -20.2767 11.3152 -20.2767 -23.6566 GPRESSAVG: 4050400 42.2803 -97.5954 10.6647 -100.026 6.90404 -22.0356 14.3014 -19.7398 -24.5317 TIMING: 4050400 CPU: 13121.5, 0.00312896/step Wall: 13121.5, 0.00312896/step, 0.825351 hours remaining, 234.953125 MB of memory in use. ENERGY: 4050400 4002.7028 20548.5974 14509.2869 228.6249 -203487.8346 2745.7040 0.0000 0.0000 51818.6980 -109634.2205 297.8028 -161452.9185 -109273.1654 298.7459 -79.8879 -51.4171 762745.5757 8.2391 8.2176 PRESSURE: 4050600 252.809 -253.894 -11.7221 -253.894 97.1294 -195.958 -11.7235 -195.96 80.1477 GPRESSURE: 4050600 263.744 -195.93 19.4764 -208.906 137.449 -139.908 46.4485 -135.021 103.929 PRESSAVG: 4050600 13.2453 -75.1274 0.0355943 -75.1274 -51.8878 38.2307 0.0355901 38.2306 17.7737 GPRESSAVG: 4050600 14.8063 -71.9109 0.807861 -77.0053 -52.3011 38.1217 -1.84688 38.478 16.8541 TIMING: 4050600 CPU: 13122.1, 0.0031246/step Wall: 13122.1, 0.0031246/step, 0.824026 hours remaining, 234.953125 MB of memory in use. ENERGY: 4050600 3981.5827 20388.2258 14497.6285 234.5315 -203690.3527 2849.8952 0.0000 0.0000 52066.6880 -109671.8010 299.2280 -161738.4890 -109310.7995 298.5537 143.3621 168.3740 761958.6219 -6.9563 -6.8802 PRESSURE: 4050800 223.906 84.5524 -64.3649 84.5523 198.253 -0.000439186 -64.3647 -0.000277915 -184.699 GPRESSURE: 4050800 298.124 -11.5993 -106.993 -38.9425 187.835 -5.1616 -151.583 65.9279 -178.908 PRESSAVG: 4050800 14.7279 -22.9874 -53.5393 -22.9874 -12.4013 22.4755 -53.5393 22.4755 -3.57535 GPRESSAVG: 4050800 12.61 -27.1257 -53.4537 -21.7182 -12.1626 22.4213 -53.361 24.2398 -2.0252 TIMING: 4050800 CPU: 13122.7, 0.00310909/step Wall: 13122.7, 0.00310909/step, 0.819763 hours remaining, 234.953125 MB of memory in use. ENERGY: 4050800 4009.8485 20508.2922 14538.6412 232.7873 -203675.8274 2756.9356 0.0000 0.0000 51852.9936 -109776.3290 297.9999 -161629.3226 -109413.9051 298.8368 79.1532 102.3503 761882.3630 -0.4162 -0.5259 PRESSURE: 4051000 363.568 -89.4261 78.5764 -89.4257 195.049 -189.831 78.5761 -189.832 244.916 GPRESSURE: 4051000 322.318 -70.6502 136.184 -74.4711 344.028 -200.755 33.1382 -76.2559 254.245 PRESSAVG: 4051000 -3.96288 -55.1673 -16.9467 -55.1674 21.7776 -41.4207 -16.9467 -41.4207 -12.1537 GPRESSAVG: 4051000 -3.19223 -54.3006 -18.5252 -55.9126 21.2084 -40.4091 -15.9771 -43.4668 -12.2675 TIMING: 4051000 CPU: 13123.4, 0.00311693/step Wall: 13123.4, 0.00311693/step, 0.821657 hours remaining, 234.953125 MB of memory in use. ENERGY: 4051000 3939.1356 20367.8557 14548.2282 242.1529 -203668.9146 2816.3314 0.0000 0.0000 51965.1697 -109790.0410 298.6445 -161755.2107 -109424.3924 298.1929 267.8446 306.8638 761466.5372 1.8870 1.9162 PRESSURE: 4051200 59.7187 25.7519 167.326 25.7511 114.26 -57.1023 167.326 -57.1023 15.1128 GPRESSURE: 4051200 18.1539 8.13316 114.032 37.7606 148.26 -75.8178 142.262 -93.3529 110.393 PRESSAVG: 4051200 -7.8509 -58.757 -23.9541 -58.7569 -22.6357 -0.78212 -23.9541 -0.782149 21.0081 GPRESSAVG: 4051200 -8.42758 -58.2006 -22.9148 -57.4084 -22.1113 -2.01743 -25.5414 -1.78864 21.0188 TIMING: 4051200 CPU: 13124, 0.00313814/step Wall: 13124, 0.00313814/step, 0.827075 hours remaining, 234.953125 MB of memory in use. ENERGY: 4051200 3941.0837 20285.0099 14502.0845 245.2197 -203743.5544 2910.1591 0.0000 0.0000 51917.6935 -109942.3039 298.3717 -161859.9974 -109570.5026 298.0980 63.0306 92.2690 761748.9493 -3.1595 -3.1733 PRESSURE: 4051400 106.388 135.99 -181.168 135.991 198.973 41.6889 -181.168 41.6891 270.012 GPRESSURE: 4051400 85.0117 124.054 -136.703 157.549 322.712 43.9558 -18.6263 169.765 267.84 PRESSAVG: 4051400 -6.65171 -25.9862 -29.9184 -25.9861 34.5229 18.8603 -29.9184 18.8603 -5.65697 GPRESSAVG: 4051400 -6.85968 -25.564 -30.7775 -26.9397 35.289 19.6511 -30.056 20.8094 -5.89226 TIMING: 4051400 CPU: 13124.6, 0.00312257/step Wall: 13124.6, 0.00312257/step, 0.822798 hours remaining, 235.007812 MB of memory in use. ENERGY: 4051400 3905.6125 20487.7629 14437.2028 235.2027 -204118.7841 2879.4137 0.0000 0.0000 52055.5300 -110118.0596 299.1638 -162173.5896 -109756.7280 297.8628 191.7910 225.1880 761313.4827 7.4047 7.5124 PRESSURE: 4051600 405.584 177.043 113.037 177.043 -127.214 212.909 113.037 212.908 111.877 GPRESSURE: 4051600 433.272 139.754 90.4603 143.188 -72.7033 242.922 141.893 176.214 120.723 PRESSAVG: 4051600 74.1439 3.84844 -15.6609 3.8486 -71.2238 23.3925 -15.6609 23.3925 25.8421 GPRESSAVG: 4051600 75.0715 2.55159 -14.9708 5.48421 -72.3 23.143 -12.5295 24.0528 26.2066 TIMING: 4051600 CPU: 13125.2, 0.00312921/step Wall: 13125.2, 0.00312921/step, 0.824373 hours remaining, 235.007812 MB of memory in use. ENERGY: 4051600 3949.1892 20413.6658 14512.6262 240.6911 -204170.1669 2925.0315 0.0000 0.0000 51968.3586 -110160.6046 298.6629 -162128.9632 -109791.9508 298.3091 130.0821 160.4304 761462.5407 9.5874 9.6594 PRESSURE: 4051800 -115.801 93.7972 432.498 93.797 -427.289 62.7708 432.497 62.7708 -92.3408 GPRESSURE: 4051800 -90.9713 51.3186 330.351 21.6842 -387.064 46.5039 387.236 -46.604 -48.3067 PRESSAVG: 4051800 71.5636 -19.557 40.2935 -19.557 -50.8861 16.7682 40.2935 16.7682 2.56033 GPRESSAVG: 4051800 72.2216 -18.1688 40.8015 -20.8031 -51.9431 16.4476 37.2107 17.0596 2.36547 TIMING: 4051800 CPU: 13125.9, 0.00311849/step Wall: 13125.9, 0.00311849/step, 0.821376 hours remaining, 235.007812 MB of memory in use. ENERGY: 4051800 4114.2959 20569.9409 14407.6720 243.4832 -203346.4677 2460.9700 0.0000 0.0000 51514.3150 -110035.7907 296.0535 -161550.1057 -109681.2312 297.9945 -211.8102 -175.4475 761501.3524 7.7459 7.5480 PRESSURE: 4052000 -184.937 -400.371 -147.535 -400.37 -136.404 35.7906 -147.536 35.79 317.784 GPRESSURE: 4052000 -164.521 -237.842 -183.675 -337.492 -36.836 -7.10717 -61.7353 -5.28069 294.295 PRESSAVG: 4052000 12.0365 -107.522 -3.73188 -107.522 -0.854975 -47.4226 -3.73182 -47.4226 -1.86474 GPRESSAVG: 4052000 10.7388 -106.363 -3.15477 -107.482 -0.138639 -46.6449 -4.09844 -49.4378 -1.57696 TIMING: 4052000 CPU: 13126.5, 0.00311727/step Wall: 13126.5, 0.00311727/step, 0.820882 hours remaining, 235.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4052000 3918.2401 20499.7108 14503.7954 237.0948 -203417.9180 2382.3782 0.0000 0.0000 51758.6498 -110118.0489 297.4577 -161876.6987 -109756.4990 297.7150 -1.1859 30.9793 761247.5160 3.1056 3.0077 PRESSURE: 4052200 19.0354 -154.236 -82.1957 -154.236 345.071 -38.2996 -82.1963 -38.2986 38.2002 GPRESSURE: 4052200 125.331 -191.09 -86.2379 -138.258 309.374 112.481 -87.4929 75.5393 56.1 PRESSAVG: 4052200 -12.3309 -82.1153 -14.2039 -82.1154 14.8031 -21.2272 -14.2039 -21.2272 -8.24682 GPRESSAVG: 4052200 -11.8373 -83.6929 -14.2266 -80.6434 15.221 -21.1901 -11.4897 -18.5279 -8.6582 TIMING: 4052200 CPU: 13127.1, 0.00311781/step Wall: 13127.1, 0.00311781/step, 0.82085 hours remaining, 235.007812 MB of memory in use. ENERGY: 4052200 3982.5823 20520.0182 14493.5513 240.6053 -203883.8838 2933.5850 0.0000 0.0000 51764.7770 -109948.7647 297.4929 -161713.5416 -109593.6248 298.2218 134.1022 163.6017 761439.9513 -1.9249 -1.7582 LDB: ============= START OF LOAD BALANCING ============== 13139.5 LDB: ============== END OF LOAD BALANCING =============== 13139.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13139.5 LDB: ============= START OF LOAD BALANCING ============== 13139.8 LDB: Largest compute 7078 load 0.034399 is 17.6% of average load 0.195709 LDB: Average compute 0.004394 is 2.2% of average load 0.195709 LDB: TIME 13139.9 LOAD: AVG 0.195709 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.426 MB LDB: TIME 13139.9 LOAD: AVG 0.195709 MAX 0.214595 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: TIME 13139.9 LOAD: AVG 0.195709 MAX 0.214595 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: ============== END OF LOAD BALANCING =============== 13139.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13139.9 PRESSURE: 4052400 -140.269 -20.8429 69.9507 -20.843 -71.9109 114.551 69.9504 114.551 180.341 GPRESSURE: 4052400 15.0457 -28.665 65.074 22.5561 -48.7764 183.613 96.3844 6.92431 91.1856 PRESSAVG: 4052400 2.56667 -16.8336 31.3691 -16.8335 -7.16691 11.0344 31.3691 11.0344 21.2189 GPRESSAVG: 4052400 2.44018 -17.4173 30.313 -14.7344 -7.45605 10.0923 29.0794 7.2081 21.0711 TIMING: 4052400 CPU: 13127.8, 0.00317632/step Wall: 13127.8, 0.00317632/step, 0.836078 hours remaining, 235.457031 MB of memory in use. ENERGY: 4052400 3943.9247 20401.1622 14513.4303 249.8131 -203630.8504 2615.6481 0.0000 0.0000 51996.3354 -109910.5365 298.8237 -161906.8719 -109543.5551 297.9782 -10.6131 19.1516 762069.3740 5.5396 5.3517 PRESSURE: 4052600 114.514 120.183 -172.291 120.183 -40.2318 -43.0409 -172.291 -43.0394 -73.6602 GPRESSURE: 4052600 184.865 67.9502 -161.317 154.974 -73.3053 -10.2315 -74.6984 7.85355 -16.5482 PRESSAVG: 4052600 -16.9838 15.8263 7.32135 15.8264 4.24474 67.6615 7.32135 67.6616 -8.21038 GPRESSAVG: 4052600 -17.6438 16.2902 7.31082 13.7894 4.74443 66.7129 9.96961 72.2663 -8.04276 TIMING: 4052600 CPU: 13128.4, 0.00310812/step Wall: 13128.4, 0.00310812/step, 0.817954 hours remaining, 235.464844 MB of memory in use. ENERGY: 4052600 4002.7993 20523.9652 14511.8892 259.6768 -203476.3885 2670.8445 0.0000 0.0000 51942.0281 -109565.1854 298.5115 -161507.2135 -109201.4603 298.2951 0.2074 31.6703 762236.2711 -6.9831 -6.9807 PRESSURE: 4052800 258.073 298.983 322.841 298.983 -12.1467 -120.054 322.841 -120.054 201.053 GPRESSURE: 4052800 282.889 333.61 275.369 121.975 80.2769 -20.3959 354.192 -149.063 153.488 PRESSAVG: 4052800 40.5879 23.6818 1.42545 23.6818 -38.5701 -27.9833 1.42542 -27.9833 0.558961 GPRESSAVG: 4052800 41.745 25.1188 1.94325 23.8868 -38.3047 -28.7262 -0.406385 -29.5925 -0.611311 TIMING: 4052800 CPU: 13129, 0.00311579/step Wall: 13129, 0.00311579/step, 0.819798 hours remaining, 235.667969 MB of memory in use. ENERGY: 4052800 3940.5179 20406.0503 14495.8826 257.1730 -203393.1703 2858.8661 0.0000 0.0000 52030.7178 -109403.9628 299.0213 -161434.6806 -109032.9440 298.7598 148.9933 172.2180 760749.5130 0.8589 0.9430 PRESSURE: 4053000 36.2174 -17.3008 -47.8449 -17.3012 290.669 -170.794 -47.8453 -170.794 -285.479 GPRESSURE: 4053000 52.9565 -52.397 -52.6689 -83.9491 295.612 -92.6807 -39.0772 -270.217 -247.133 PRESSAVG: 4053000 -19.3787 47.8197 60.0913 47.8198 41.5911 41.8047 60.0912 41.8048 -2.93615 GPRESSAVG: 4053000 -20.4043 46.0283 60.5753 47.1204 41.1603 43.4643 59.6918 39.085 -1.58271 TIMING: 4053000 CPU: 13129.6, 0.00311564/step Wall: 13129.6, 0.00311564/step, 0.819586 hours remaining, 235.738281 MB of memory in use. ENERGY: 4053000 3978.3961 20565.0727 14532.6993 234.7486 -203388.4537 2735.8107 0.0000 0.0000 52160.0910 -109181.6352 299.7648 -161341.7262 -108818.7257 299.1951 13.8022 33.8119 761379.5974 6.4254 6.3911 PRESSURE: 4053200 295.799 -144.468 190.636 -144.467 89.8703 -197.029 190.636 -197.029 -343.955 GPRESSURE: 4053200 303.836 -141.841 162.534 -80.4908 119.267 -168.865 224.226 -78.9095 -292.824 PRESSAVG: 4053200 -1.07919 0.364391 32.6801 0.364405 45.6988 -100.726 32.6801 -100.726 1.27643 GPRESSAVG: 4053200 -1.82224 0.377252 32.8442 2.52612 45.537 -100.978 34.3601 -98.767 2.13559 TIMING: 4053200 CPU: 13130.2, 0.00310453/step Wall: 13130.2, 0.00310453/step, 0.81649 hours remaining, 235.738281 MB of memory in use. ENERGY: 4053200 3945.8070 20483.9272 14456.4658 243.7998 -203057.6036 2524.8680 0.0000 0.0000 52123.3144 -109279.4214 299.5534 -161402.7359 -108908.3877 299.5518 13.9050 43.4263 760899.2265 15.2987 15.2835 PRESSURE: 4053400 95.5481 -214.343 337.354 -214.342 -81.717 64.5821 337.354 64.5826 572.139 GPRESSURE: 4053400 142.315 -185.944 380.17 -222.635 -38.9863 7.4697 165.316 100.233 588.694 PRESSAVG: 4053400 -5.08972 2.33423 10.6893 2.3343 43.0878 -20.8862 10.6894 -20.8861 11.0212 GPRESSAVG: 4053400 -4.99102 2.39663 9.28026 2.07326 43.749 -21.8056 9.51081 -19.0911 10.0507 TIMING: 4053400 CPU: 13130.9, 0.00311975/step Wall: 13130.9, 0.00311975/step, 0.82032 hours remaining, 235.738281 MB of memory in use. ENERGY: 4053400 3911.0894 20575.2544 14547.0204 250.0263 -203540.4409 2765.9157 0.0000 0.0000 52138.3271 -109352.8076 299.6397 -161491.1348 -108984.6186 299.7920 195.3234 230.6743 760550.3252 16.3398 16.2695 PRESSURE: 4053600 -84.1435 -80.5645 -3.9595 -80.5646 67.9381 -44.8793 -3.9603 -44.8788 97.9109 GPRESSURE: 4053600 51.9657 20.3407 -48.0778 -41.7685 95.8581 -75.8395 8.79092 -158.285 12.8555 PRESSAVG: 4053600 12.2139 12.0898 -12.2873 12.0897 30.3025 23.5421 -12.2874 23.5421 -35.1829 GPRESSAVG: 4053600 13.1826 12.0225 -11.7104 11.2246 29.877 24.242 -14.0164 21.0544 -35.6535 TIMING: 4053600 CPU: 13131.5, 0.00313567/step Wall: 13131.5, 0.00313567/step, 0.824332 hours remaining, 235.738281 MB of memory in use. ENERGY: 4053600 4001.1179 20377.8203 14532.1813 238.4872 -203186.9521 2609.5816 0.0000 0.0000 51913.6653 -109514.0986 298.3485 -161427.7639 -109158.6132 298.8163 27.2352 53.5597 762074.8537 2.4445 2.4687 PRESSURE: 4053800 81.0303 -67.1316 109.908 -67.1321 -39.1424 -15.1082 109.908 -15.1078 27.1607 GPRESSURE: 4053800 116.255 -5.92893 151.473 -125.632 9.85735 -59.0364 199.536 89.0895 35.8829 PRESSAVG: 4053800 -10.8401 -76.6545 3.18381 -76.6544 28.8326 -43.5341 3.1838 -43.5341 -21.5813 GPRESSAVG: 4053800 -11.325 -74.0621 3.0661 -76.1068 29.6542 -42.2385 5.32177 -45.3784 -21.3402 TIMING: 4053800 CPU: 13132.1, 0.00314626/step Wall: 13132.1, 0.00314626/step, 0.826943 hours remaining, 235.738281 MB of memory in use. ENERGY: 4053800 3913.0798 20567.0765 14526.2746 242.7779 -203087.8821 2394.2926 0.0000 0.0000 51994.0733 -109450.3075 298.8107 -161444.3808 -109075.3630 298.6944 23.0162 53.9985 762121.4119 -1.1963 -1.0036 PRESSURE: 4054000 -207.194 -91.204 92.8704 -91.2024 -130.64 157.98 92.8713 157.98 -339.543 GPRESSURE: 4054000 -45.4952 -20.0209 44.6733 -30.6152 -152.419 169.655 72.1675 214.138 -380.523 PRESSAVG: 4054000 11.3366 -17.9693 5.98795 -17.9693 33.9417 -8.32646 5.98792 -8.3265 -15.9296 GPRESSAVG: 4054000 12.7249 -18.5074 7.78263 -17.7985 33.0372 -9.2925 4.43803 -5.88305 -15.9148 TIMING: 4054000 CPU: 13132.8, 0.00315526/step Wall: 13132.8, 0.00315526/step, 0.829132 hours remaining, 235.738281 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: 4054000 4015.0642 20448.7849 14450.7104 261.1369 -203469.1223 2701.0397 0.0000 0.0000 52209.3625 -109383.0236 300.0479 -161592.3861 -109016.0860 299.0568 -225.7921 -192.8124 760623.7349 9.7829 9.9491 PRESSURE: 4054200 30.1892 -28.0543 -135.099 -28.0542 59.5748 198.721 -135.098 198.722 -85.8089 GPRESSURE: 4054200 98.7497 -82.0984 -112.158 -30.6909 126.543 210.371 11.6642 287.712 -135.71 PRESSAVG: 4054200 -30.8018 -10.1277 15.8963 -10.1277 50.0141 -21.1385 15.8964 -21.1386 4.63663 GPRESSAVG: 4054200 -31.4744 -10.2442 13.7807 -11.8606 51.1638 -21.7613 17.3481 -20.2608 4.36498 TIMING: 4054200 CPU: 13133.4, 0.0031656/step Wall: 13133.4, 0.0031656/step, 0.831673 hours remaining, 235.738281 MB of memory in use. ENERGY: 4054200 3977.9716 20506.3563 14469.8536 253.1602 -203338.9843 2615.1381 0.0000 0.0000 52084.2709 -109432.2335 299.3290 -161516.5044 -109071.4574 298.8535 1.3184 29.8609 762016.8916 7.9496 8.0181 PRESSURE: 4054400 192.898 -141.606 -115.693 -141.607 227.224 174.82 -115.693 174.821 354.159 GPRESSURE: 4054400 143.105 -39.6436 -91.6945 -54.0635 265.55 204.205 54.9339 67.066 441.084 PRESSAVG: 4054400 -13.2794 -34.6864 48.5386 -34.6864 29.9327 -18.5639 48.5386 -18.5638 23.5783 GPRESSAVG: 4054400 -12.3379 -35.804 48.499 -32.8704 28.4682 -17.5692 50.0341 -21.7891 24.2505 TIMING: 4054400 CPU: 13134, 0.00314032/step Wall: 13134, 0.00314032/step, 0.824856 hours remaining, 235.738281 MB of memory in use. ENERGY: 4054400 4034.1184 20366.1526 14479.4328 259.9488 -203424.9779 2980.6782 0.0000 0.0000 52015.7063 -109288.9406 298.9350 -161304.6470 -108941.1831 298.8909 258.0937 283.2465 762766.5797 13.4105 13.4602 PRESSURE: 4054600 -377.553 24.4578 -83.7985 24.4574 -360.756 -299.837 -83.7983 -299.835 -370.666 GPRESSURE: 4054600 -346.692 -16.9182 -102.213 66.2192 -288.986 -263.078 -135.875 -158.142 -387.812 PRESSAVG: 4054600 -7.65614 -17.3212 29.7215 -17.3212 33.8171 -4.75818 29.7214 -4.75821 -0.228603 GPRESSAVG: 4054600 -7.90629 -17.6679 30.7404 -16.87 33.3509 -5.18027 26.0754 -3.34144 0.364438 TIMING: 4054600 CPU: 13134.6, 0.00312073/step Wall: 13134.6, 0.00312073/step, 0.819538 hours remaining, 235.738281 MB of memory in use. ENERGY: 4054600 3993.5626 20550.4982 14446.6873 232.1300 -203087.0939 2454.6269 0.0000 0.0000 52242.6108 -109166.9780 300.2390 -161409.5889 -108802.3499 299.4206 -369.6583 -341.1635 762711.5055 8.6441 8.6030 PRESSURE: 4054800 69.6949 -63.3154 -156.508 -63.3154 -87.8423 -145.233 -156.507 -145.233 443.423 GPRESSURE: 4054800 130.542 -58.0968 -159.354 -82.9817 -64.6235 -152.214 -304.296 -141.725 454.01 PRESSAVG: 4054800 4.84902 39.2022 -42.1508 39.2022 7.32455 6.47551 -42.1508 6.47542 -3.13556 GPRESSAVG: 4054800 5.41091 40.2414 -41.9392 36.5542 8.34957 4.8434 -42.202 8.24628 -4.39921 TIMING: 4054800 CPU: 13135.3, 0.00315417/step Wall: 13135.3, 0.00315417/step, 0.828144 hours remaining, 235.738281 MB of memory in use. ENERGY: 4054800 3877.8434 20462.2719 14557.5143 243.9322 -203106.7555 2685.1841 0.0000 0.0000 52003.0924 -109276.9171 298.8625 -161280.0095 -108915.4710 299.4610 141.7587 173.3094 760560.6474 3.0127 3.1204 PRESSURE: 4055000 -302.04 -147.765 -63.1906 -147.765 -221.508 -83.5002 -63.1909 -83.4995 459.648 GPRESSURE: 4055000 -193.445 -99.0094 -50.5493 -134.624 -186.823 23.2538 -24.8296 -99.642 408.863 PRESSAVG: 4055000 -6.37277 -35.1297 -24.7896 -35.1296 14.3066 16.6785 -24.7895 16.6786 0.275837 GPRESSAVG: 4055000 -7.95078 -38.2828 -24.7785 -31.9457 14.2469 19.0618 -24.7923 15.1608 1.48562 TIMING: 4055000 CPU: 13135.9, 0.00312948/step Wall: 13135.9, 0.00312948/step, 0.821489 hours remaining, 235.738281 MB of memory in use. ENERGY: 4055000 3977.8074 20452.2041 14550.5746 243.9363 -203325.9252 2638.7235 0.0000 0.0000 52018.1274 -109444.5518 298.9489 -161462.6792 -109076.9851 299.2719 -21.3002 9.5317 761443.1201 2.7366 2.5939 PRESSURE: 4055200 163.935 -54.9222 1.35177 -54.9221 75.4686 108.465 1.35146 108.465 143.821 GPRESSURE: 4055200 125.002 -85.2063 47.9493 -18.7965 188.307 115.611 -19.9788 105.078 164.052 PRESSAVG: 4055200 -22.8145 -12.473 -28.7374 -12.4729 41.7071 1.34121 -28.7374 1.3411 4.76477 GPRESSAVG: 4055200 -23.4203 -9.1228 -29.8114 -13.1214 42.1471 0.3243 -26.7375 0.28456 4.75618 TIMING: 4055200 CPU: 13136.5, 0.00312301/step Wall: 13136.5, 0.00312301/step, 0.819618 hours remaining, 235.738281 MB of memory in use. ENERGY: 4055200 3957.2968 20398.8796 14539.2236 244.4648 -203303.0635 2626.9286 0.0000 0.0000 52155.1608 -109381.1093 299.7364 -161536.2701 -109017.6638 298.6159 127.7415 159.1203 761683.8060 7.8858 7.8277 PRESSURE: 4055400 -63.7791 233.426 79.8643 233.426 -98.0966 125.5 79.8642 125.499 -349.138 GPRESSURE: 4055400 -63.7396 180.944 46.3352 252.388 -64.4363 120.968 -9.21824 125.986 -297.677 PRESSAVG: 4055400 -42.8386 8.19798 48.6313 8.19798 42.3931 6.33469 48.6314 6.33468 -15.4557 GPRESSAVG: 4055400 -40.9558 7.39538 48.539 6.66803 41.0161 5.64287 48.0101 6.69806 -16.0029 TIMING: 4055400 CPU: 13137.2, 0.00314906/step Wall: 13137.2, 0.00314905/step, 0.826277 hours remaining, 235.738281 MB of memory in use. ENERGY: 4055400 3962.6320 20500.5324 14551.9892 245.5490 -203251.6831 2465.2046 0.0000 0.0000 52183.9878 -109341.7882 299.9021 -161525.7760 -108982.3353 299.0678 -170.3378 -141.9511 761751.5600 -5.3004 -5.3142 PRESSURE: 4055600 -285.081 30.0659 -139.341 30.0653 -237.917 0.949524 -139.341 0.950389 -180.065 GPRESSURE: 4055600 -263.493 67.3566 -114.01 -60.1649 -173.486 -60.2957 -69.3355 32.3627 -171.689 PRESSAVG: 4055600 15.4426 -13.0417 28.0447 -13.0416 6.41993 26.1717 28.0448 26.1717 -24.1765 GPRESSAVG: 4055600 13.5454 -13.6101 28.9157 -11.1145 7.55561 25.1424 25.3399 27.6065 -23.4793 TIMING: 4055600 CPU: 13137.8, 0.00314488/step Wall: 13137.8, 0.00314488/step, 0.825007 hours remaining, 235.738281 MB of memory in use. ENERGY: 4055600 3938.7504 20275.0471 14518.3763 250.4216 -202915.5033 2298.6424 0.0000 0.0000 52411.4177 -109222.8479 301.2091 -161634.2656 -108846.5162 299.7867 -234.3544 -202.8890 761370.8162 -0.7713 -0.7928 PRESSURE: 4055800 -271.545 -13.374 -258.438 -13.3746 -289.737 116.472 -258.437 116.471 -120.934 GPRESSURE: 4055800 -237.244 98.4897 -245.807 -11.5961 -239.567 215.877 -269.501 111.402 -129.072 PRESSAVG: 4055800 -41.1413 -41.0524 12.4772 -41.0523 48.0395 22.1175 12.4771 22.1174 -13.7357 GPRESSAVG: 4055800 -40.6311 -39.4141 10.4998 -41.4723 48.064 22.4125 16.3304 21.7903 -14.6628 TIMING: 4055800 CPU: 13138.4, 0.00312879/step Wall: 13138.4, 0.00312879/step, 0.820611 hours remaining, 235.738281 MB of memory in use. ENERGY: 4055800 3972.1818 20583.6058 14465.0371 260.0522 -202986.4718 2198.9438 0.0000 0.0000 52210.7980 -109295.8531 300.0562 -161506.6510 -108925.1926 299.6416 -227.4053 -201.9607 763464.4127 -2.2792 -2.4100 PRESSURE: 4056000 170.077 -238.348 -58.7942 -238.347 -323.753 -40.9482 -58.7945 -40.9474 -572.614 GPRESSURE: 4056000 211.719 -168.829 30.0273 -266.791 -339.421 23.8283 -60.1997 -109.311 -498.633 PRESSAVG: 4056000 -53.8314 -48.3618 -27.4988 -48.3618 47.6654 -36.3838 -27.4987 -36.3837 34.8481 GPRESSAVG: 4056000 -52.8205 -50.1288 -26.9734 -49.3711 46.9264 -33.3136 -28.6585 -36.9868 33.9918 TIMING: 4056000 CPU: 13139, 0.0031275/step Wall: 13139, 0.0031275/step, 0.8201 hours remaining, 235.738281 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: 4056000 4014.5761 20450.7215 14534.0738 265.1272 -203225.0572 2460.6319 0.0000 0.0000 52210.4381 -109289.4885 300.0541 -161499.9267 -108924.7471 299.9368 -242.0967 -208.7785 760694.4402 9.5607 9.3659 PRESSURE: 4056200 -54.9616 125.778 56.4073 125.778 216.774 31.1019 56.408 31.1015 18.0781 GPRESSURE: 4056200 -72.995 252.702 126.271 126.315 294.808 71.5931 0.249019 9.16261 66.9474 PRESSAVG: 4056200 24.7279 -31.7935 35.5466 -31.7935 3.82939 5.7893 35.5467 5.78931 -19.8018 GPRESSAVG: 4056200 23.9539 -31.1094 37.279 -31.1024 3.72533 5.35261 34.9564 5.41596 -18.7406 TIMING: 4056200 CPU: 13139.7, 0.00311412/step Wall: 13139.7, 0.00311412/step, 0.816419 hours remaining, 235.738281 MB of memory in use. ENERGY: 4056200 3948.2829 20608.9369 14507.7386 255.0352 -203257.2270 2512.7524 0.0000 0.0000 52102.0489 -109322.4322 299.4312 -161424.4811 -108967.0257 300.1414 59.9636 96.2536 760634.4285 2.9185 2.9795 LDB: ============= START OF LOAD BALANCING ============== 13152.1 LDB: ============== END OF LOAD BALANCING =============== 13152.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13152.1 LDB: ============= START OF LOAD BALANCING ============== 13152.4 LDB: Largest compute 7078 load 0.033657 is 17.2% of average load 0.195599 LDB: Average compute 0.004386 is 2.2% of average load 0.195599 LDB: TIME 13152.4 LOAD: AVG 0.195599 MAX 0.216937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.062 MB LDB: TIME 13152.4 LOAD: AVG 0.195599 MAX 0.216937 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.062 MB LDB: TIME 13152.4 LOAD: AVG 0.195599 MAX 0.216937 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.062 MB LDB: ============== END OF LOAD BALANCING =============== 13152.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13152.4 PRESSURE: 4056400 548.126 -86.0574 -16.2024 -86.057 -355.713 104.158 -16.202 104.157 -234.968 GPRESSURE: 4056400 390.445 -108.928 -0.360452 -188.918 -215.99 142.785 -37.0844 -51.1423 -131.314 PRESSAVG: 4056400 14.7642 21.041 13.6671 21.041 7.84982 57.9007 13.667 57.9007 17.8218 GPRESSAVG: 4056400 14.1394 19.9234 12.1218 21.7325 7.62341 56.7215 13.333 59.554 18.7611 TIMING: 4056400 CPU: 13140.3, 0.00317354/step Wall: 13140.3, 0.00317353/step, 0.831819 hours remaining, 235.394531 MB of memory in use. ENERGY: 4056400 4026.3264 20458.4616 14520.0657 237.3196 -203348.8807 2713.0629 0.0000 0.0000 52083.6192 -109310.0253 299.3253 -161393.6445 -108951.8976 299.6140 -14.1851 14.3803 762415.1280 13.4786 13.5080 PRESSURE: 4056600 -173.909 -16.9733 -68.8518 -16.9744 100.679 -54.9978 -68.8511 -54.9972 -21.5887 GPRESSURE: 4056600 -100.368 115.143 -84.5416 -72.3843 157.866 16.8506 14.2211 6.34022 -37.7902 PRESSAVG: 4056600 14.1355 -19.5871 6.96836 -19.5872 -5.50635 19.3294 6.96835 19.3294 -10.2852 GPRESSAVG: 4056600 14.5944 -19.1292 6.09258 -22.1717 -5.74995 19.8587 8.71463 18.7675 -10.8933 TIMING: 4056600 CPU: 13140.9, 0.00311999/step Wall: 13140.9, 0.00311999/step, 0.817612 hours remaining, 235.597656 MB of memory in use. ENERGY: 4056600 4041.0008 20554.9990 14471.9433 228.8691 -203360.9021 2805.4610 0.0000 0.0000 52037.4401 -109221.1889 299.0599 -161258.6290 -108859.9328 299.7339 -31.6063 6.5690 763629.9876 -0.5520 -0.6830 PRESSURE: 4056800 -39.1944 -23.114 218.961 -23.114 -146.002 153.247 218.962 153.247 -218.827 GPRESSURE: 4056800 36.0983 38.7996 215.001 83.4954 -110.914 174.316 256.309 -10.0769 -245.775 PRESSAVG: 4056800 -4.39455 -52.4141 30.4998 -52.4141 -20.7027 30.1963 30.4998 30.1964 11.5327 GPRESSAVG: 4056800 -3.46171 -53.3496 32.5317 -48.5872 -19.5827 30.0381 29.5369 29.814 9.88168 TIMING: 4056800 CPU: 13141.5, 0.00314125/step Wall: 13141.5, 0.00314125/step, 0.823009 hours remaining, 235.597656 MB of memory in use. ENERGY: 4056800 3996.9310 20508.7096 14422.8636 264.7297 -203111.4771 2397.3208 0.0000 0.0000 52254.3481 -109266.5743 300.3065 -161520.9223 -108896.9359 299.4425 -134.6745 -106.8633 761643.8600 -4.5215 -4.3876 PRESSURE: 4057000 -58.6098 25.2483 133.874 25.2481 -284.148 47.6319 133.874 47.6319 -375.692 GPRESSURE: 4057000 -178.822 24.2719 125.955 -56.2173 -125.897 -23.464 46.4736 113.215 -367.953 PRESSAVG: 4057000 67.5232 -49.1311 22.5631 -49.1311 -18.2657 15.7671 22.5632 15.7672 0.209651 GPRESSAVG: 4057000 66.4165 -49.9552 22.3884 -49.769 -17.9473 16.7104 21.8219 14.574 0.31078 TIMING: 4057000 CPU: 13142.2, 0.00316196/step Wall: 13142.2, 0.00316196/step, 0.828258 hours remaining, 235.652344 MB of memory in use. ENERGY: 4057000 3940.2126 20444.9191 14546.0358 250.3167 -203075.4217 2337.5096 0.0000 0.0000 51982.9322 -109573.4957 298.7466 -161556.4279 -109209.2441 299.1901 -239.4833 -224.2238 762939.7767 16.4891 16.2600 PRESSURE: 4057200 -330.138 -51.3217 -56.2604 -51.3221 -182.516 -2.36714 -56.261 -2.36641 -13.6427 GPRESSURE: 4057200 -342.824 -101.269 -90.0151 -15.6867 -123.085 -39.4942 -159.384 -159.666 37.5905 PRESSAVG: 4057200 -1.24624 -34.9435 28.597 -34.9435 -9.47028 -2.97243 28.5969 -2.97242 -1.71214 GPRESSAVG: 4057200 -0.48549 -34.9626 28.3618 -36.4112 -9.99447 -3.70162 27.9921 -2.07518 -1.25584 TIMING: 4057200 CPU: 13142.8, 0.00315339/step Wall: 13142.8, 0.00315339/step, 0.825837 hours remaining, 235.652344 MB of memory in use. ENERGY: 4057200 4076.9850 20578.0362 14599.0789 243.3734 -203331.0986 2655.1425 0.0000 0.0000 51901.0945 -109277.3881 298.2763 -161178.4826 -108923.5586 299.4826 -175.4323 -142.7726 761775.3721 -4.1429 -3.9119 PRESSURE: 4057400 -331.459 135.042 164.55 135.042 76.2256 -27.9456 164.55 -27.9457 79.2039 GPRESSURE: 4057400 -317.647 192.596 112.519 75.2651 182.007 -56.5021 83.7132 115.078 41.3757 PRESSAVG: 4057400 -60.4937 -8.71588 19.1226 -8.7159 30.6868 7.814 19.1225 7.81405 8.33211 GPRESSAVG: 4057400 -59.1988 -6.87728 18.3258 -7.1378 30.109 9.00495 18.8395 6.94564 7.34381 TIMING: 4057400 CPU: 13143.4, 0.00314813/step Wall: 13143.4, 0.00314813/step, 0.824286 hours remaining, 235.722656 MB of memory in use. ENERGY: 4057400 3954.6828 20520.8115 14437.5955 246.3890 -202996.3502 2321.0639 0.0000 0.0000 52243.9705 -109271.8371 300.2468 -161515.8076 -108902.1195 299.9184 -58.6763 -31.4216 762845.4969 -7.1583 -7.2487 PRESSURE: 4057600 -64.0522 69.7459 -186.123 69.7444 -153.083 -44.7391 -186.123 -44.7395 -396.163 GPRESSURE: 4057600 61.8038 67.5145 -96.1261 -2.61467 -222.592 -91.1387 -138.027 2.53683 -342.759 PRESSAVG: 4057600 -22.24 -16.7409 -5.63699 -16.7409 14.1105 22.4261 -5.63697 22.426 -14.7382 GPRESSAVG: 4057600 -23.0821 -16.8796 -5.31004 -17.7654 14.0613 21.435 -3.15843 23.4568 -14.3872 TIMING: 4057600 CPU: 13144.1, 0.00311832/step Wall: 13144.1, 0.00311832/step, 0.816307 hours remaining, 235.792969 MB of memory in use. ENERGY: 4057600 4001.4960 20475.1518 14463.0858 249.0858 -203625.4366 2766.6496 0.0000 0.0000 52348.7625 -109321.2051 300.8491 -161669.9676 -108966.9148 299.8129 -204.4328 -167.8490 761553.8829 -7.6226 -7.8027 PRESSURE: 4057800 -375.426 58.5783 -333.87 58.5784 -347.268 -252.058 -333.87 -252.058 -49.4726 GPRESSURE: 4057800 -355.749 -18.676 -316.798 76.3254 -266.888 -259.314 -412.155 -216.43 -67.6281 PRESSAVG: 4057800 7.49807 17.1703 23.9339 17.1704 -35.3096 -38.0293 23.9339 -38.0293 -12.903 GPRESSAVG: 4057800 6.50748 17.0948 24.7168 15.207 -35.9745 -38.0955 21.7706 -36.7672 -11.6918 TIMING: 4057800 CPU: 13144.7, 0.0031329/step Wall: 13144.7, 0.0031329/step, 0.81995 hours remaining, 235.792969 MB of memory in use. ENERGY: 4057800 4030.5932 20529.1677 14529.7421 258.7570 -203449.1530 2710.6292 0.0000 0.0000 51994.5429 -109395.7209 298.8134 -161390.2638 -109038.3111 299.6327 -257.3889 -230.0885 762815.3683 -13.5715 -13.7196 PRESSURE: 4058000 100.443 114.788 -100.373 114.787 160.137 204.831 -100.373 204.832 79.5184 GPRESSURE: 4058000 86.8836 94.5223 -120.973 169.881 160.602 166.469 26.4104 176.053 177.852 PRESSAVG: 4058000 15.102 29.0149 9.93537 29.0148 -22.4794 66.1314 9.93541 66.1314 19.1187 GPRESSAVG: 4058000 15.6722 28.3949 7.87894 32.244 -21.5026 66.2668 10.9783 65.6391 18.586 TIMING: 4058000 CPU: 13145.3, 0.00314838/step Wall: 13145.3, 0.00314838/step, 0.823827 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4058000 4033.6938 20600.4681 14535.9699 237.8854 -203191.5725 2403.3847 0.0000 0.0000 51951.8235 -109428.3472 298.5678 -161380.1706 -109067.8922 299.4465 113.3662 141.7792 760810.2930 3.9138 4.2519 PRESSURE: 4058200 -431.763 -37.7235 165.936 -37.723 -289.981 62.3749 165.936 62.375 -544.514 GPRESSURE: 4058200 -387.003 -47.8463 192.199 40.3248 -267.94 74.9278 101.453 -1.04232 -544.935 PRESSAVG: 4058200 -22.1561 -14.9044 -3.30929 -14.9043 26.8236 9.27487 -3.30921 9.27482 21.0946 GPRESSAVG: 4058200 -22.6018 -16.0538 -0.689213 -15.5606 26.6418 10.0818 -5.54214 6.39105 21.2418 TIMING: 4058200 CPU: 13145.9, 0.00314369/step Wall: 13145.9, 0.00314369/step, 0.822424 hours remaining, 235.792969 MB of memory in use. ENERGY: 4058200 4041.3847 20513.5625 14524.8202 259.9691 -203694.0952 2607.3284 0.0000 0.0000 52346.9051 -109400.1250 300.8384 -161747.0301 -109036.3172 299.6706 -422.0860 -399.9593 761969.6961 8.5874 8.4273 PRESSURE: 4058400 173.434 -58.8108 -19.1791 -58.8112 166.143 44.2925 -19.1792 44.2924 126.618 GPRESSURE: 4058400 154.978 -58.2326 4.75244 -58.0399 268.014 62.1617 -85.2066 68.0938 133.277 PRESSAVG: 4058400 -6.99924 -32.7992 -7.2502 -32.7992 14.6301 -20.0885 -7.25023 -20.0884 24.3216 GPRESSAVG: 4058400 -7.21558 -31.1573 -8.64183 -34.001 15.3571 -20.7479 -4.87171 -19.3039 23.6053 TIMING: 4058400 CPU: 13146.6, 0.00317012/step Wall: 13146.6, 0.00317012/step, 0.829161 hours remaining, 235.792969 MB of memory in use. ENERGY: 4058400 3978.8002 20597.4386 14468.1955 250.4050 -203858.6576 3026.2150 0.0000 0.0000 51997.8204 -109539.7828 298.8322 -161537.6032 -109187.0969 299.2700 155.3982 185.4229 762850.6367 10.6508 10.5823 PRESSURE: 4058600 117.274 -330.606 -154.856 -330.607 -160.965 7.03397 -154.856 7.03419 -197.44 GPRESSURE: 4058600 142.243 -214.76 -209.982 -253.693 -166.201 35.8691 27.9211 13.7391 -151.765 PRESSAVG: 4058600 5.47643 -53.1994 -66.8601 -53.1993 -19.5727 38.7611 -66.8601 38.7611 -3.75396 GPRESSAVG: 4058600 5.3472 -54.0678 -65.0829 -51.2798 -20.3907 39.9 -64.8661 39.4441 -2.73139 TIMING: 4058600 CPU: 13147.2, 0.0031373/step Wall: 13147.2, 0.0031373/step, 0.820405 hours remaining, 235.792969 MB of memory in use. ENERGY: 4058600 3995.6535 20464.7142 14575.5934 263.6517 -203360.0432 2489.8225 0.0000 0.0000 51929.7486 -109640.8593 298.4410 -161570.6079 -109284.0525 298.8204 -80.3768 -58.5745 761606.8430 -5.9501 -5.9250 PRESSURE: 4058800 -49.4715 -154.347 98.5038 -154.348 162.059 140.453 98.5036 140.452 -300.368 GPRESSURE: 4058800 -64.9934 -159.241 129.396 -86.7744 212.342 161.232 152.63 145.59 -236.152 PRESSAVG: 4058800 -23.7193 -49.8629 1.58226 -49.8628 -31.3876 50.5799 1.58224 50.5799 -6.69304 GPRESSAVG: 4058800 -23.3493 -51.2218 0.82291 -48.3755 -31.6247 50.5328 -0.37722 51.1696 -7.29291 TIMING: 4058800 CPU: 13147.8, 0.0031518/step Wall: 13147.8, 0.0031518/step, 0.824022 hours remaining, 235.792969 MB of memory in use. ENERGY: 4058800 4019.8250 20438.9628 14497.7153 232.8141 -203275.2239 2291.5269 0.0000 0.0000 52274.2178 -109520.1621 300.4206 -161794.3799 -109161.4503 299.2362 -62.5935 -29.6013 760618.5918 -20.6000 -20.7556 PRESSURE: 4059000 -116.271 -34.5716 41.6792 -34.5713 -115.177 70.3649 41.6795 70.3651 -51.421 GPRESSURE: 4059000 -15.4966 -71.2131 64.6963 10.7568 -85.0074 58.43 -73.697 29.0756 -87.5846 PRESSAVG: 4059000 13.7948 -35.922 44.6214 -35.922 24.1977 45.334 44.6214 45.334 19.5835 GPRESSAVG: 4059000 13.0749 -35.7791 43.7673 -38.9929 24.9308 45.0734 45.8729 44.7315 19.3031 TIMING: 4059000 CPU: 13148.5, 0.00316589/step Wall: 13148.5, 0.00316589/step, 0.827528 hours remaining, 235.792969 MB of memory in use. ENERGY: 4059000 3999.2626 20546.8846 14420.4763 267.4877 -203237.3777 2505.2401 0.0000 0.0000 51970.1409 -109527.8855 298.6731 -161498.0263 -109165.8726 299.3270 -94.2899 -62.6962 761027.4328 19.1920 19.1029 PRESSURE: 4059200 96.5803 1.41026 -70.0626 1.41058 -198.486 253.898 -70.0633 253.897 -263.293 GPRESSURE: 4059200 138.314 -34.2416 58.3826 98.2108 -142.287 251.699 50.9094 109.159 -247.853 PRESSAVG: 4059200 50.0211 -25.2724 62.4049 -25.2724 -21.3865 27.8005 62.4049 27.8006 -9.03746 GPRESSAVG: 4059200 50.1379 -23.5086 64.0745 -24.925 -22.0202 27.6838 63.1431 27.4356 -8.23917 TIMING: 4059200 CPU: 13149.1, 0.00313824/step Wall: 13149.1, 0.00313824/step, 0.820128 hours remaining, 235.792969 MB of memory in use. ENERGY: 4059200 3996.4129 20426.1172 14438.2832 230.4686 -203380.0216 2610.2615 0.0000 0.0000 52033.8789 -109644.5994 299.0394 -161678.4782 -109286.2713 299.3272 -121.7329 -83.9420 761755.1287 6.5324 6.6262 PRESSURE: 4059400 257.467 18.61 -123.305 18.6104 -125.537 154.527 -123.304 154.527 42.0109 GPRESSURE: 4059400 224.986 119.179 -93.7049 -26.5207 -25.4281 93.0479 -118.771 176.344 71.0576 PRESSAVG: 4059400 17.3508 -37.5753 4.44502 -37.5753 16.3521 -3.81318 4.44505 -3.81321 10.3451 GPRESSAVG: 4059400 16.3202 -36.6407 2.08769 -38.8341 18.0395 -6.62914 2.6923 -1.70978 9.76222 TIMING: 4059400 CPU: 13149.7, 0.0031409/step Wall: 13149.7, 0.0031409/step, 0.820647 hours remaining, 235.847656 MB of memory in use. ENERGY: 4059400 3907.6849 20415.1190 14467.4588 247.8028 -203519.8869 2558.2605 0.0000 0.0000 52131.1717 -109792.3893 299.5986 -161923.5610 -109434.2711 298.4891 57.9804 90.2053 760364.4184 14.6826 14.7073 PRESSURE: 4059600 180.723 52.6909 60.2312 52.6916 148.38 -117.428 60.2312 -117.428 146.539 GPRESSURE: 4059600 232.565 -41.3573 91.0351 53.5591 175.195 -55.0628 75.6843 -86.8811 156.817 PRESSAVG: 4059600 34.2306 -43.6394 10.8164 -43.6394 -75.2668 13.2249 10.8164 13.2248 5.43181 GPRESSAVG: 4059600 35.0368 -44.3142 13.4778 -44.4537 -76.3467 16.3254 10.137 10.479 6.2166 TIMING: 4059600 CPU: 13150.3, 0.00311129/step Wall: 13150.3, 0.00311129/step, 0.812738 hours remaining, 235.847656 MB of memory in use. ENERGY: 4059600 3891.8474 20427.8123 14494.5303 252.5752 -203702.8579 2986.1424 0.0000 0.0000 51796.9420 -109853.0083 297.6777 -161649.9502 -109497.0289 298.2001 158.5474 188.1920 761825.0052 -11.8681 -11.6978 PRESSURE: 4059800 456.855 -184.191 -37.7513 -184.191 399.285 33.9646 -37.7518 33.9653 217.056 GPRESSURE: 4059800 446.506 -96.3336 16.0374 -155.548 410.415 69.3202 -84.9355 -4.32273 293.719 PRESSAVG: 4059800 53.4562 -70.5109 -10.6499 -70.5109 -65.972 -22.9139 -10.6499 -22.9139 -20.5783 GPRESSAVG: 4059800 54.0669 -70.5203 -13.3095 -69.4869 -66.0856 -23.513 -10.1253 -20.2239 -20.7507 TIMING: 4059800 CPU: 13151, 0.00311166/step Wall: 13151, 0.00311166/step, 0.812661 hours remaining, 235.847656 MB of memory in use. ENERGY: 4059800 3919.7371 20253.9378 14503.2045 256.0570 -203903.2563 2916.6531 0.0000 0.0000 52041.5316 -110012.1351 299.0834 -162053.6667 -109647.6014 297.6057 357.7320 383.5466 760416.6200 -11.0314 -10.9232 PRESSURE: 4060000 -164.014 -55.7222 36.3531 -55.7225 -264.844 31.0394 36.3521 31.0396 121.893 GPRESSURE: 4060000 -154.401 -2.10731 -24.9585 8.47824 -235.504 46.1396 53.0843 -80.7287 167.704 PRESSAVG: 4060000 8.86104 -63.2689 23.5783 -63.2688 -5.53872 -15.7058 23.5783 -15.7059 6.00177 GPRESSAVG: 4060000 9.23758 -63.4325 23.7127 -62.8732 -4.89538 -16.4853 22.4075 -18.1729 5.04715 TIMING: 4060000 CPU: 13151.6, 0.00311913/step Wall: 13151.6, 0.00311913/step, 0.81444 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4060000 4019.9563 20367.8284 14528.2848 234.8980 -203222.4423 2561.5764 0.0000 0.0000 51560.4510 -109949.4474 296.3186 -161509.8984 -109599.0477 297.8561 -102.3217 -74.0667 763556.8714 3.1080 3.1298 PRESSURE: 4060200 62.7983 -233.429 44.5477 -233.429 -192.182 -134.798 44.5468 -134.798 -82.1296 GPRESSURE: 4060200 -0.261288 -103.385 25.1033 -224.904 -92.1708 -147.378 18.1752 -50.8086 -43.4569 PRESSAVG: 4060200 -8.6094 -19.4512 -16.8109 -19.4512 -29.291 9.70301 -16.811 9.703 7.55257 GPRESSAVG: 4060200 -9.1427 -19.2921 -16.0631 -17.8671 -29.6842 11.4203 -14.7943 9.44955 8.01671 TIMING: 4060200 CPU: 13152.2, 0.00312376/step Wall: 13152.2, 0.00312376/step, 0.815475 hours remaining, 235.847656 MB of memory in use. ENERGY: 4060200 3901.3599 20458.5412 14549.0978 250.6243 -203431.7162 2725.1049 0.0000 0.0000 51819.1884 -109727.7997 297.8056 -161546.9881 -109368.7723 298.2080 -70.5046 -45.2963 763874.6665 -10.1159 -10.2701 LDB: ============= START OF LOAD BALANCING ============== 13164.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13164.6 LDB: =============== DONE WITH MIGRATION ================ 13164.6 LDB: ============= START OF LOAD BALANCING ============== 13164.9 LDB: Largest compute 7068 load 0.033344 is 17.0% of average load 0.195564 LDB: Average compute 0.004395 is 2.2% of average load 0.195564 LDB: TIME 13165 LOAD: AVG 0.195564 MAX 0.214938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 13165 LOAD: AVG 0.195564 MAX 0.214938 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: TIME 13165 LOAD: AVG 0.195564 MAX 0.214938 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: ============== END OF LOAD BALANCING =============== 13165 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 PRESSURE: 4060400 48.6067 82.3348 -203.073 82.3344 -111.44 56.3637 -203.073 56.3632 -446.354 GPRESSURE: 4060400 22.0448 39.7253 -210.536 44.3282 -68.4407 -0.755958 -128.26 107.242 -368.039 PRESSAVG: 4060400 44.0411 -44.2331 -5.79667 -44.233 1.27648 41.0163 -5.79669 41.0163 -18.1659 GPRESSAVG: 4060400 44.6306 -43.5114 -6.56706 -45.051 1.57288 42.455 -8.25895 42.5489 -19.0235 TIMING: 4060400 CPU: 13152.9, 0.00318482/step Wall: 13152.9, 0.00318482/step, 0.831237 hours remaining, 235.394531 MB of memory in use. ENERGY: 4060400 3893.2963 20340.6701 14513.0092 260.9154 -203234.5852 2459.8170 0.0000 0.0000 51884.3784 -109882.4987 298.1802 -161766.8771 -109521.4426 298.3816 -169.7289 -138.1450 762541.6964 9.0505 9.0600 PRESSURE: 4060600 22.2403 281.112 -137.48 281.112 -50.2487 157.491 -137.48 157.493 -86.6916 GPRESSURE: 4060600 86.028 332.726 -101.348 318.788 -55.3931 175.023 -220.381 90.1623 -56.6526 PRESSAVG: 4060600 27.0269 -9.76975 -49.7082 -9.76969 -34.7004 31.075 -49.7082 31.0749 -21.8529 GPRESSAVG: 4060600 26.8106 -10.5742 -48.315 -9.63544 -34.7009 30.6612 -47.8904 30.0181 -20.931 TIMING: 4060600 CPU: 13153.5, 0.0031128/step Wall: 13153.5, 0.0031128/step, 0.812267 hours remaining, 235.464844 MB of memory in use. ENERGY: 4060600 3987.7820 20369.6273 14491.7610 247.3851 -203566.1339 2757.7769 0.0000 0.0000 52138.4877 -109573.3139 299.6406 -161711.8016 -109218.7086 298.2935 -38.2333 -8.6726 762332.1370 -9.8421 -9.6071 PRESSURE: 4060800 32.3307 331.599 283.14 331.599 12.3888 14.9908 283.14 14.9907 166.826 GPRESSURE: 4060800 23.7814 259.4 278.131 371.585 46.0229 -109.664 83.0905 -59.4016 206.074 PRESSAVG: 4060800 43.8144 -20.7505 -65.7679 -20.7505 -65.838 0.477654 -65.7679 0.477634 8.7411 GPRESSAVG: 4060800 43.858 -20.1606 -66.7447 -19.8499 -65.7024 -1.10569 -65.8691 1.84741 8.32522 TIMING: 4060800 CPU: 13154.1, 0.00311595/step Wall: 13154.1, 0.00311595/step, 0.812915 hours remaining, 235.722656 MB of memory in use. ENERGY: 4060800 4031.9477 20626.3018 14456.3911 252.0363 -203124.2652 2544.3943 0.0000 0.0000 51809.9472 -109403.2468 297.7525 -161213.1940 -109053.9194 298.7239 70.5151 91.9594 762144.6690 -4.4275 -4.5064 PRESSURE: 4061000 -44.0875 17.113 310.265 17.1127 -16.9999 -112.515 310.266 -112.515 289.21 GPRESSURE: 4061000 -8.45763 -47.7447 334.475 70.4821 34.883 -126.581 313.774 -24.0236 279.911 PRESSAVG: 4061000 34.9914 -37.9301 -7.05849 -37.9301 -13.538 5.16681 -7.05849 5.16683 15.9705 GPRESSAVG: 4061000 33.88 -38.6268 -6.10387 -39.7133 -13.1505 5.11832 -8.96325 4.11236 16.7744 TIMING: 4061000 CPU: 13154.7, 0.00314706/step Wall: 13154.7, 0.00314706/step, 0.820858 hours remaining, 235.738281 MB of memory in use. ENERGY: 4061000 4052.3326 20544.9196 14449.8154 250.3707 -203296.5155 2519.3729 0.0000 0.0000 52041.3691 -109438.3353 299.0825 -161479.7043 -109085.0232 299.1917 76.0410 102.1122 761617.6011 12.4746 12.5013 PRESSURE: 4061200 243.99 -76.3176 -103.588 -76.3179 -417.75 53.6447 -103.588 53.6454 12.2045 GPRESSURE: 4061200 204.705 -116.823 -129.868 -5.64788 -353.959 -1.64784 -53.1993 108.212 83.6142 PRESSAVG: 4061200 30.6591 -50.4099 4.84301 -50.41 -7.81037 20.6651 4.84298 20.6651 -3.08973 GPRESSAVG: 4061200 31.6772 -49.3007 4.59587 -50.4913 -9.2761 22.2782 7.83769 20.9121 -2.60384 TIMING: 4061200 CPU: 13155.4, 0.00314951/step Wall: 13155.4, 0.00314951/step, 0.821321 hours remaining, 235.738281 MB of memory in use. ENERGY: 4061200 3974.6386 20443.0366 14455.2692 243.5719 -203285.0179 2679.4512 0.0000 0.0000 51990.0902 -109498.9604 298.7878 -161489.0506 -109141.1390 298.9307 -53.8520 -21.8800 761683.2468 6.5863 6.5991 PRESSURE: 4061400 265.421 109.64 -70.2176 109.64 111.13 59.2233 -70.2166 59.2225 -415.449 GPRESSURE: 4061400 309.008 82.7074 -75.4214 99.9747 146.918 87.4976 -21.2841 42.1294 -412.137 PRESSAVG: 4061400 -10.4897 17.2515 -32.7723 17.2516 -30.8295 56.2192 -32.7723 56.2192 27.613 GPRESSAVG: 4061400 -10.6959 16.2777 -33.3935 16.7415 -29.5663 55.9274 -35.0776 55.6031 26.7016 TIMING: 4061400 CPU: 13156, 0.00311176/step Wall: 13156, 0.00311176/step, 0.811304 hours remaining, 235.738281 MB of memory in use. ENERGY: 4061400 3971.4095 20421.3621 14466.2851 254.8258 -203677.2432 2756.0941 0.0000 0.0000 52278.5814 -109528.6852 300.4457 -161807.2666 -109158.5942 299.3868 -12.9657 14.5961 762101.1177 -4.5687 -4.5202 PRESSURE: 4061600 -286.225 -64.3995 -91.3251 -64.3991 -524.096 -62.3798 -91.3251 -62.3803 184.349 GPRESSURE: 4061600 -311.015 -27.5407 -61.0564 -66.2532 -432.935 -12.4866 -141.398 16.1209 201.891 PRESSAVG: 4061600 50.8552 -51.6896 -28.779 -51.6897 -22.9223 1.94395 -28.7791 1.9439 -9.57064 GPRESSAVG: 4061600 50.9407 -51.5128 -28.6542 -49.7862 -24.2181 1.79781 -28.7595 2.10619 -8.78056 TIMING: 4061600 CPU: 13156.6, 0.00312179/step Wall: 13156.6, 0.00312179/step, 0.813747 hours remaining, 235.738281 MB of memory in use. ENERGY: 4061600 4036.1482 20644.8228 14486.2671 248.3345 -203252.1372 2500.8048 0.0000 0.0000 51838.0695 -109497.6903 297.9141 -161335.7598 -109156.6710 299.0527 -208.6575 -180.6863 762293.0478 6.1208 5.9807 PRESSURE: 4061800 -104.842 -35.5196 -71.8526 -35.5187 -184.146 211.608 -71.853 211.608 -247.024 GPRESSURE: 4061800 -43.9207 47.131 -82.4276 31.2198 -169.523 207.908 -72.8416 229.057 -233.1 PRESSAVG: 4061800 -21.8355 -75.4394 -14.9463 -75.4394 -18.722 19.3119 -14.9463 19.312 3.00823 GPRESSAVG: 4061800 -22.1731 -73.9372 -15.362 -76.2821 -18.4348 18.8512 -14.1588 19.2508 3.84755 TIMING: 4061800 CPU: 13157.2, 0.00313423/step Wall: 13157.2, 0.00313423/step, 0.816814 hours remaining, 235.738281 MB of memory in use. ENERGY: 4061800 4016.6197 20545.0229 14474.1116 257.1409 -203373.2007 2576.1356 0.0000 0.0000 51918.9986 -109585.1714 298.3792 -161504.1700 -109228.4900 298.7881 -178.6707 -148.8478 761154.4800 -12.5164 -12.2535 PRESSURE: 4062000 -239.991 211.449 115.139 211.449 -373.464 -93.2393 115.139 -93.2386 -217.518 GPRESSURE: 4062000 -254.945 196.071 76.3841 202.119 -344.476 -191.313 174.023 -43.3555 -143.669 PRESSAVG: 4062000 -9.64618 -68.1202 -29.1422 -68.1201 27.2736 66.2424 -29.1422 66.2424 4.4627 GPRESSAVG: 4062000 -8.63334 -70.7876 -30.3696 -67.8664 26.9946 66.0682 -31.1466 67.4447 3.93069 TIMING: 4062000 CPU: 13157.9, 0.0031309/step Wall: 13157.9, 0.0031309/step, 0.815773 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 3951.9740 20505.5306 14446.4755 246.5629 -202959.4324 2176.2898 0.0000 0.0000 52082.0658 -109550.5339 299.3163 -161632.5997 -109191.8352 298.8740 -276.9909 -247.6967 762958.6363 7.3634 7.4307 PRESSURE: 4062200 -463.106 -87.4086 -120.871 -87.4083 -154.529 80.3198 -120.872 80.3193 -344.525 GPRESSURE: 4062200 -417.249 -11.0075 -185.286 -71.4524 -80.5 9.65656 -60.6237 66.6571 -363.516 PRESSAVG: 4062200 -23.679 -18.9261 -11.2661 -18.9262 -13.5504 14.6908 -11.266 14.6907 -7.19319 GPRESSAVG: 4062200 -24.0088 -16.9408 -8.76389 -20.7702 -12.4862 13.5065 -6.16953 14.856 -7.75453 TIMING: 4062200 CPU: 13158.5, 0.00312106/step Wall: 13158.5, 0.00312106/step, 0.813036 hours remaining, 235.937500 MB of memory in use. ENERGY: 4062200 4026.3495 20554.5415 14454.0466 245.9483 -203702.5599 2444.0438 0.0000 0.0000 52373.1626 -109604.4675 300.9893 -161977.6301 -109231.9847 299.3791 -320.7198 -287.0882 761347.3508 -14.8076 -14.7499 PRESSURE: 4062400 -131.07 -47.4622 -26.7304 -47.4624 -85.6393 -123.207 -26.7291 -123.207 -5.34931 GPRESSURE: 4062400 -42.7163 -113.583 -205.237 -52.1652 -155.041 -130.99 -16.5183 -48.734 71.6937 PRESSAVG: 4062400 1.33586 -20.1788 0.327143 -20.1788 37.1081 44.1468 0.327151 44.1468 -6.70092 GPRESSAVG: 4062400 1.92272 -20.749 -0.166945 -20.0942 36.8684 45.439 -3.27861 44.1861 -6.77131 TIMING: 4062400 CPU: 13159.1, 0.00313116/step Wall: 13159.1, 0.00313116/step, 0.815493 hours remaining, 235.937500 MB of memory in use. ENERGY: 4062400 3964.6396 20475.6295 14421.7554 242.7953 -203431.2755 2500.4171 0.0000 0.0000 52235.3866 -109590.6520 300.1975 -161826.0386 -109238.6240 299.3342 -74.0197 -42.0212 760345.5126 10.5810 10.6733 PRESSURE: 4062600 118.248 23.2732 -38.7667 23.2735 -147.409 -61.1879 -38.7668 -61.188 -109.666 GPRESSURE: 4062600 157.976 -70.4383 -126.441 15.9563 -174.386 14.9947 25.7335 -28.3086 -43.5268 PRESSAVG: 4062600 24.5234 -45.3857 -5.22039 -45.3857 -12.146 -4.70326 -5.22042 -4.70332 -5.85387 GPRESSAVG: 4062600 24.5566 -46.1082 -5.05966 -46.2742 -12.244 -5.6984 -6.62565 -4.60284 -5.80335 TIMING: 4062600 CPU: 13159.7, 0.00314567/step Wall: 13159.7, 0.00314567/step, 0.819097 hours remaining, 235.937500 MB of memory in use. ENERGY: 4062600 3939.5661 20492.7947 14475.4056 242.4439 -203585.9472 2681.9591 0.0000 0.0000 51948.4094 -109805.3684 298.5482 -161753.7777 -109449.5394 298.5817 -46.2756 -19.9790 760829.2908 2.1745 2.1698 PRESSURE: 4062800 -69.7322 -370.703 -129.894 -370.703 286.27 4.10219 -129.893 4.10295 -90.7652 GPRESSURE: 4062800 20.5819 -362.43 -130.607 -241.952 357.959 -57.3778 -139.938 12.4491 -153.288 PRESSAVG: 4062800 34.1472 -78.678 -9.34282 -78.6779 -13.7365 -92.8385 -9.34283 -92.8384 -2.26643 GPRESSAVG: 4062800 33.9906 -78.6985 -10.1523 -78.0152 -13.4279 -92.4348 -8.05743 -91.8818 -2.21761 TIMING: 4062800 CPU: 13160.4, 0.00312437/step Wall: 13160.4, 0.00312437/step, 0.813378 hours remaining, 235.937500 MB of memory in use. ENERGY: 4062800 4035.9222 20393.4372 14468.5630 253.0243 -203667.8459 2855.7244 0.0000 0.0000 52097.4727 -109563.7020 299.4049 -161661.1747 -109195.3466 298.9815 41.9243 75.0842 761890.9618 6.0481 6.1150 PRESSURE: 4063000 -241.414 96.6263 -84.4911 96.6263 -317.958 -194.117 -84.4903 -194.117 -173.833 GPRESSURE: 4063000 -225.123 235.139 -34.5077 90.546 -277.183 -69.8419 -1.35169 -104.572 -158.478 PRESSAVG: 4063000 23.0505 53.7104 4.85772 53.7104 -49.8618 18.5552 4.85769 18.5552 -2.35829 GPRESSAVG: 4063000 22.2353 54.4711 6.17883 56.2547 -49.2489 19.7012 3.34399 16.681 -1.891 TIMING: 4063000 CPU: 13161, 0.0031043/step Wall: 13161, 0.0031043/step, 0.807979 hours remaining, 235.937500 MB of memory in use. ENERGY: 4063000 4023.3272 20439.2673 14440.7667 233.1076 -203466.7891 2605.1709 0.0000 0.0000 52043.6033 -109681.5460 299.0953 -161725.1494 -109324.4044 299.3280 -244.4018 -220.2614 763614.3804 -9.7232 -9.6349 PRESSURE: 4063200 206.176 7.03723 -226.891 7.03666 241.318 237.964 -226.891 237.964 55.4875 GPRESSURE: 4063200 190.089 6.17311 -243.857 95.3166 217.073 247.471 -76.7589 224.485 167.039 PRESSAVG: 4063200 40.2233 -12.6914 -41.3112 -12.6914 -28.0876 39.4775 -41.3113 39.4775 3.99241 GPRESSAVG: 4063200 41.1138 -11.2913 -43.9822 -13.5614 -28.789 38.7912 -39.9839 39.3379 3.496 TIMING: 4063200 CPU: 13161.6, 0.00311203/step Wall: 13161.6, 0.00311203/step, 0.809818 hours remaining, 235.937500 MB of memory in use. ENERGY: 4063200 3995.3879 20409.2617 14419.5825 267.1582 -203669.7897 2856.9963 0.0000 0.0000 52227.2636 -109494.1397 300.1508 -161721.4032 -109118.2034 299.1838 167.6606 191.4003 762091.8046 5.3760 5.2736 PRESSURE: 4063400 -112.705 -206.706 74.5907 -206.706 102.345 -39.5299 74.5908 -39.5303 192.753 GPRESSURE: 4063400 -42.2892 -143.419 79.224 -289.906 101.912 -111.619 46.4249 56.441 208.513 PRESSAVG: 4063400 36.3086 10.699 -7.71757 10.6991 -31.6195 -11.0748 -7.71756 -11.0748 -12.1017 GPRESSAVG: 4063400 37.6056 9.94343 -5.75945 10.4273 -32.5729 -10.5223 -9.40857 -11.6724 -12.3936 TIMING: 4063400 CPU: 13162.2, 0.00312032/step Wall: 13162.2, 0.00312031/step, 0.811802 hours remaining, 235.937500 MB of memory in use. ENERGY: 4063400 4046.3352 20533.6181 14398.5162 240.7040 -203313.1720 2652.4724 0.0000 0.0000 52095.4408 -109346.0853 299.3932 -161441.5261 -108984.4259 299.2876 60.7979 89.3787 763250.1170 -2.4709 -2.4536 PRESSURE: 4063600 -15.3032 26.9963 303.405 26.9962 -312.13 -128.272 303.405 -128.272 -56.926 GPRESSURE: 4063600 -1.74085 -19.3237 294.262 -5.3673 -186.61 -90.4766 290.607 -74.149 -103.96 PRESSAVG: 4063600 29.9692 -86.6148 6.03223 -86.6147 24.3633 -38.6232 6.03221 -38.6232 1.25433 GPRESSAVG: 4063600 28.8743 -85.9616 6.41043 -88.318 25.7086 -38.5684 8.15064 -37.7382 0.6368 TIMING: 4063600 CPU: 13162.9, 0.00317273/step Wall: 13162.9, 0.00317273/step, 0.825262 hours remaining, 235.937500 MB of memory in use. ENERGY: 4063600 3962.9715 20534.1723 14476.5133 266.8057 -202895.7482 2407.4454 0.0000 0.0000 51972.7027 -109275.1372 298.6878 -161247.8399 -108919.3821 299.2445 -128.1198 -97.4371 762407.6813 18.5290 18.4066 PRESSURE: 4063800 -343.448 -41.0081 188.321 -41.0081 -147.746 44.5849 188.321 44.5857 30.2384 GPRESSURE: 4063800 -289.86 -41.1684 33.7243 23.8113 -71.1676 49.791 83.9521 -12.2614 -14.5835 PRESSAVG: 4063800 13.726 7.62962 13.6479 7.6296 0.441007 -38.059 13.6479 -38.059 -3.07891 GPRESSAVG: 4063800 14.4955 6.46632 11.9562 8.94098 0.264253 -39.2485 13.7362 -38.4968 -3.41139 TIMING: 4063800 CPU: 13163.5, 0.00318853/step Wall: 13163.5, 0.00318853/step, 0.829195 hours remaining, 235.937500 MB of memory in use. ENERGY: 4063800 4066.2570 20388.3527 14538.4996 252.5262 -203059.0862 2364.1608 0.0000 0.0000 52160.0032 -109289.2867 299.7643 -161449.2899 -108919.0563 299.2408 -153.6519 -125.2035 761922.7763 3.6960 3.7828 PRESSURE: 4064000 -85.1232 -38.5252 -92.4705 -38.525 73.8237 70.0401 -92.4691 70.0391 -83.0707 GPRESSURE: 4064000 -61.6577 -79.5382 -74.4435 -49.4915 119.193 86.2634 4.58994 89.8236 -54.9542 PRESSAVG: 4064000 -32.2838 -22.661 22.8789 -22.661 -0.993116 -40.4437 22.8789 -40.4437 -26.2706 GPRESSAVG: 4064000 -32.1 -22.1266 22.8627 -23.5621 -1.45467 -39.3929 23.2775 -41.444 -25.5022 TIMING: 4064000 CPU: 13164.1, 0.00315887/step Wall: 13164.1, 0.00315887/step, 0.821307 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 3960.1913 20361.0403 14490.2140 246.6896 -203185.4794 2583.4619 0.0000 0.0000 52287.5442 -109256.3382 300.4972 -161543.8824 -108891.3235 299.1571 -31.4568 0.8604 762071.9159 -19.8492 -19.6856 PRESSURE: 4064200 238.505 21.6902 1.08867 21.6901 160.026 -283.308 1.0892 -283.308 420.992 GPRESSURE: 4064200 231.763 13.2339 -75.8311 74.0846 276.215 -300.211 -80.6469 -87.8938 415.662 PRESSAVG: 4064200 11.8112 -18.639 -33.5252 -18.639 37.1078 27.0968 -33.5252 27.0968 25.461 GPRESSAVG: 4064200 11.3526 -19.3797 -32.4313 -17.3245 37.0566 25.2891 -36.0096 30.065 26.3037 TIMING: 4064200 CPU: 13164.8, 0.00320546/step Wall: 13164.8, 0.00320546/step, 0.833241 hours remaining, 235.937500 MB of memory in use. ENERGY: 4064200 3998.8658 20484.5162 14415.4603 261.1065 -203093.5578 2654.3472 0.0000 0.0000 52069.4640 -109209.7978 299.2439 -161279.2618 -108848.4758 299.5787 273.1746 307.8800 760017.6403 24.7933 24.9043 LDB: ============= START OF LOAD BALANCING ============== 13177.2 LDB: ============== END OF LOAD BALANCING =============== 13177.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13177.2 LDB: ============= START OF LOAD BALANCING ============== 13177.5 LDB: Largest compute 7070 load 0.031828 is 16.3% of average load 0.195578 LDB: Average compute 0.004387 is 2.2% of average load 0.195578 LDB: TIME 13177.5 LOAD: AVG 0.195578 MAX 0.214487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.973 MB LDB: TIME 13177.5 LOAD: AVG 0.195578 MAX 0.214487 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.176 MB LDB: TIME 13177.5 LOAD: AVG 0.195578 MAX 0.214487 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.176 MB LDB: ============== END OF LOAD BALANCING =============== 13177.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13177.5 PRESSURE: 4064400 110.062 17.3955 -40.9313 17.3955 -177.321 -352.421 -40.9313 -352.423 -255.623 GPRESSURE: 4064400 78.9285 21.0675 -25.3181 -12.714 -92.9061 -288.977 -82.9258 -399.128 -224.897 PRESSAVG: 4064400 27.5387 22.6256 -37.7118 22.6256 -28.5129 -8.45069 -37.7119 -8.4507 22.6131 GPRESSAVG: 4064400 27.7178 24.4662 -38.6122 22.3444 -28.6119 -7.49959 -35.9679 -9.17454 22.1617 TIMING: 4064400 CPU: 13165.4, 0.00324267/step Wall: 13165.4, 0.00324267/step, 0.842735 hours remaining, 234.812500 MB of memory in use. ENERGY: 4064400 3991.1284 20320.5264 14566.2807 249.5228 -202769.6470 2349.7411 0.0000 0.0000 52020.3952 -109272.0523 298.9619 -161292.4476 -108908.6730 299.5565 -107.6275 -79.6247 761113.2956 7.2130 7.0892 PRESSURE: 4064600 -614.904 -9.16513 -259.419 -9.16453 -210.059 -105.266 -259.42 -105.267 -155.656 GPRESSURE: 4064600 -546.51 -11.5061 -172.483 -67.5844 -199.547 -34.7165 -275.488 -119.052 -130.988 PRESSAVG: 4064600 -31.2674 2.5138 -5.74125 2.5138 36.047 28.6989 -5.74128 28.6989 -3.89995 GPRESSAVG: 4064600 -30.5486 1.94542 -5.58888 2.26038 35.5282 29.0213 -7.43466 27.2613 -4.15479 TIMING: 4064600 CPU: 13166.1, 0.00313337/step Wall: 13166.1, 0.00313337/step, 0.814155 hours remaining, 234.812500 MB of memory in use. ENERGY: 4064600 3987.3777 20567.1118 14460.9179 237.8674 -202696.1770 2309.3667 0.0000 0.0000 51840.1517 -109293.3838 297.9261 -161133.5355 -108942.8590 299.0133 -326.8730 -292.3483 761846.2716 0.2932 0.2749 PRESSURE: 4064800 99.9615 113.436 1.4751 113.436 -95.2782 -81.4335 1.47532 -81.4356 -35.282 GPRESSURE: 4064800 94.8565 144.603 -71.8814 16.0626 -75.4978 -73.9414 109.654 -203.037 32.2455 PRESSAVG: 4064800 7.37985 -5.37888 -12.5024 -5.37884 9.1995 -16.8874 -12.5024 -16.8875 0.866747 GPRESSAVG: 4064800 6.92814 -6.1971 -12.57 -6.12506 10.3414 -18.016 -11.3136 -16.5656 0.531648 TIMING: 4064800 CPU: 13166.7, 0.00317472/step Wall: 13166.7, 0.00317472/step, 0.824723 hours remaining, 234.812500 MB of memory in use. ENERGY: 4064800 3875.6673 20485.9120 14451.8895 250.7833 -203313.6105 2635.0272 0.0000 0.0000 51916.1965 -109698.1346 298.3631 -161614.3311 -109335.6516 299.1118 -10.1995 17.2014 761548.4361 5.8154 5.9337 PRESSURE: 4065000 -15.2246 -106.142 -92.2775 -106.141 321.201 122.12 -92.2779 122.119 -513.365 GPRESSURE: 4065000 34.1709 -143.253 -140.701 -86.0214 241.467 99.0691 73.1461 217.246 -408.122 PRESSAVG: 4065000 -14.9305 -52.2202 51.7865 -52.2203 22.7303 -2.67239 51.7865 -2.6723 -19.777 GPRESSAVG: 4065000 -14.7668 -52.461 51.6543 -52.7082 22.2029 -1.13807 53.2172 -2.7609 -19.3982 TIMING: 4065000 CPU: 13167.3, 0.00312572/step Wall: 13167.3, 0.00312572/step, 0.811818 hours remaining, 234.812500 MB of memory in use. ENERGY: 4065000 3972.1853 20352.0345 14416.3398 233.7609 -203765.5608 2927.6818 0.0000 0.0000 52275.9769 -109587.5816 300.4308 -161863.5585 -109221.0849 298.7261 -69.1295 -44.1615 762226.8059 -3.9924 -3.9873 PRESSURE: 4065200 189.1 -132.141 -165.077 -132.14 78.51 53.672 -165.077 53.6724 37.9178 GPRESSURE: 4065200 175.999 -123.872 -115.459 17.1568 136.342 33.2765 -124.925 111.808 80.1831 PRESSAVG: 4065200 -14.5632 -31.214 -34.652 -31.2139 48.3237 0.898877 -34.6521 0.898734 0.652619 GPRESSAVG: 4065200 -14.882 -30.4078 -34.502 -30.8944 48.0711 0.820077 -35.3159 1.30047 1.06543 TIMING: 4065200 CPU: 13167.9, 0.00310952/step Wall: 13167.9, 0.00310952/step, 0.807439 hours remaining, 235.148438 MB of memory in use. ENERGY: 4065200 3909.5815 20474.6501 14428.2377 245.0553 -203201.1225 2723.5981 0.0000 0.0000 51748.6362 -109671.3637 297.4001 -161419.9999 -109311.6099 299.0787 101.8424 130.8414 763291.4982 11.4711 11.4181 PRESSURE: 4065400 19.7928 -90.052 -28.9246 -90.0522 -19.6847 -50.484 -28.925 -50.4841 -313.948 GPRESSURE: 4065400 -24.3253 -256.547 -21.8493 -79.94 -6.80871 -102.746 17.9599 -75.2549 -209.65 PRESSAVG: 4065400 52.4209 -12.1836 73.9885 -12.1835 -22.9043 17.5476 73.9885 17.5476 -15.433 GPRESSAVG: 4065400 52.3593 -13.5799 74.5912 -11.7152 -22.4961 17.3609 73.0308 17.975 -15.8316 TIMING: 4065400 CPU: 13168.6, 0.00311754/step Wall: 13168.6, 0.00311754/step, 0.809348 hours remaining, 235.148438 MB of memory in use. ENERGY: 4065400 3908.4947 20538.6496 14448.4263 243.5833 -203098.0737 2362.5129 0.0000 0.0000 51992.8104 -109603.5964 298.8034 -161596.4068 -109240.0550 298.4846 -104.6132 -80.2615 762732.8852 4.6945 4.6772 PRESSURE: 4065600 42.3373 29.5884 -190.663 29.5883 -261.462 117.559 -190.663 117.56 -179.152 GPRESSURE: 4065600 62.2295 180.008 -162.295 41.3852 -208.5 103.002 -105.622 59.0828 -169.695 PRESSAVG: 4065600 53.3319 -37.0073 -32.0018 -37.0073 -66.5278 22.4337 -32.0018 22.4337 1.4795 GPRESSAVG: 4065600 53.368 -36.0254 -32.538 -35.7363 -67.2974 19.8201 -28.1929 22.8742 2.69279 TIMING: 4065600 CPU: 13169.2, 0.00315019/step Wall: 13169.2, 0.00315019/step, 0.817649 hours remaining, 235.148438 MB of memory in use. ENERGY: 4065600 3973.2399 20590.0539 14465.2709 241.0955 -203136.5303 2594.5508 0.0000 0.0000 51683.4421 -109588.8772 297.0255 -161272.3193 -109230.7521 298.5106 -132.7587 -105.3218 763172.2841 -3.9055 -3.7455 PRESSURE: 4065800 52.8278 -6.78163 -23.3907 -6.78159 128.126 161.735 -23.3913 161.734 279.082 GPRESSURE: 4065800 30.3786 31.9356 -79.4372 -8.12598 155.184 180.11 24.9275 138.654 372.823 PRESSAVG: 4065800 -11.7271 15.7834 -12.1196 15.7834 -38.5165 55.7923 -12.1196 55.7923 23.8505 GPRESSAVG: 4065800 -11.1211 16.0023 -10.5646 14.5999 -38.3312 58.3167 -16.3178 54.0361 23.5184 TIMING: 4065800 CPU: 13169.8, 0.00315883/step Wall: 13169.8, 0.00315883/step, 0.819717 hours remaining, 235.148438 MB of memory in use. ENERGY: 4065800 3914.1858 20475.2393 14404.5366 249.6846 -203509.3594 2866.6905 0.0000 0.0000 51841.5591 -109757.4635 297.9342 -161599.0226 -109396.9993 298.9538 153.3451 186.1285 762698.5451 -8.7977 -8.6446 PRESSURE: 4066000 -388.442 -36.0849 -19.3271 -36.0853 -56.5199 -81.1622 -19.3272 -81.1621 -162.899 GPRESSURE: 4066000 -302.249 -140.491 89.1917 -13.8568 -110.471 -161.471 -86.259 -170.995 -103.332 PRESSAVG: 4066000 33.423 -32.4835 3.81188 -32.4835 -59.8695 20.5113 3.81186 20.5113 3.80998 GPRESSAVG: 4066000 32.6183 -32.5245 5.32836 -30.5507 -58.5214 21.9935 3.13102 19.362 2.86198 TIMING: 4066000 CPU: 13170.4, 0.00315165/step Wall: 13170.4, 0.00315165/step, 0.817678 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4066000 4005.0818 20572.8170 14416.9897 247.7671 -203422.0860 2498.7344 0.0000 0.0000 51919.1048 -109761.5912 298.3798 -161680.6960 -109402.3451 298.7172 -202.6200 -172.0175 761614.4571 -7.5455 -7.6804 PRESSURE: 4066200 272.859 -13.7718 -237.15 -13.772 441.018 79.5062 -237.151 79.5067 -131.243 GPRESSURE: 4066200 283.173 -83.5758 -342.465 -56.8218 489.981 -20.0948 -140.589 205.319 -103.978 PRESSAVG: 4066200 8.26338 -35.7144 -6.32353 -35.7145 -22.4345 6.80971 -6.32352 6.8097 8.85018 GPRESSAVG: 4066200 7.98558 -35.7813 -10.1796 -37.8793 -21.8019 6.22399 -3.58464 7.01448 8.90724 TIMING: 4066200 CPU: 13171.1, 0.00312473/step Wall: 13171.1, 0.00312473/step, 0.810521 hours remaining, 235.148438 MB of memory in use. ENERGY: 4066200 3936.2144 20572.4544 14503.1415 232.5660 -203834.5970 2816.5170 0.0000 0.0000 52118.8358 -109654.8679 299.5277 -161773.7037 -109301.3936 298.9450 194.2116 223.0586 760197.0756 -1.7736 -1.6364 PRESSURE: 4066400 -244.596 46.0237 -43.7215 46.0239 -92.9402 -150.392 -43.7209 -150.391 -48.0496 GPRESSURE: 4066400 -268.595 25.7989 -68.1641 91.2495 -33.9798 -186.877 -77.6348 -156.052 -21.4033 PRESSAVG: 4066400 -22.0573 -3.34846 -39.1601 -3.34843 23.7384 -30.9528 -39.1601 -30.9527 0.73341 GPRESSAVG: 4066400 -21.2375 -2.04726 -36.2992 -1.61164 23.1103 -31.4976 -40.8271 -29.1241 0.502732 TIMING: 4066400 CPU: 13171.7, 0.00311125/step Wall: 13171.7, 0.00311125/step, 0.806852 hours remaining, 235.148438 MB of memory in use. ENERGY: 4066400 3971.0338 20624.9982 14384.2188 247.4805 -203724.8735 2812.0218 0.0000 0.0000 52139.2367 -109545.8837 299.6449 -161685.1204 -109191.9726 299.0218 -128.5285 -107.9926 763043.0972 0.8048 0.7919 PRESSURE: 4066600 -79.6183 -56.9915 138.823 -56.992 -240.988 -129.791 138.823 -129.79 -52.1276 GPRESSURE: 4066600 -56.1158 -105.147 89.0701 -85.2775 -219.802 -94.2018 205.639 -146.817 -10.8811 PRESSAVG: 4066600 20.6411 -57.035 6.71941 -57.0351 -70.1847 -0.897378 6.71942 -0.897323 16.5774 GPRESSAVG: 4066600 19.6763 -56.7626 5.99541 -59.2257 -70.5451 -2.86388 7.75857 -1.59518 17.4923 TIMING: 4066600 CPU: 13172.3, 0.00312386/step Wall: 13172.3, 0.00312386/step, 0.809948 hours remaining, 235.148438 MB of memory in use. ENERGY: 4066600 3964.9032 20690.6046 14310.4472 250.1083 -203265.4884 2484.9108 0.0000 0.0000 51927.2765 -109637.2377 298.4268 -161564.5142 -109290.1595 298.8099 -124.2447 -95.5996 761819.8450 -10.9888 -11.1255 PRESSURE: 4066800 39.4998 -44.2328 72.7131 -44.2324 -50.779 86.7095 72.7133 86.7102 -107.669 GPRESSURE: 4066800 30.1102 -21.907 41.2729 12.013 100.557 73.9484 155.851 38.7069 -137.58 PRESSAVG: 4066800 27.0959 -0.70278 -30.4484 -0.702726 -21.9634 20.5842 -30.4485 20.5843 24.0891 GPRESSAVG: 4066800 26.7469 -1.72028 -32.5052 0.935177 -20.9684 20.3352 -29.4756 21.6205 23.0371 TIMING: 4066800 CPU: 13172.9, 0.00310804/step Wall: 13172.9, 0.00310805/step, 0.805674 hours remaining, 235.148438 MB of memory in use. ENERGY: 4066800 3997.1525 20464.4353 14405.1739 251.4144 -203471.8430 2640.8527 0.0000 0.0000 52304.4110 -109408.4033 300.5942 -161712.8143 -109037.9447 298.8823 -39.6493 -2.3041 761875.0493 9.7405 9.6052 PRESSURE: 4067000 -149.35 47.2647 20.4186 47.2643 -146.022 -206.588 20.4195 -206.587 -14.6098 GPRESSURE: 4067000 -96.7678 8.52245 54.1863 -9.03519 -157.487 -256.066 6.44453 -127.974 21.3131 PRESSAVG: 4067000 -28.2053 -39.2033 34.1357 -39.2033 50.3811 6.32289 34.1357 6.32287 17.9548 GPRESSAVG: 4067000 -27.4613 -39.4755 36.1762 -39.6017 48.8614 7.48993 32.0053 6.56627 18.8437 TIMING: 4067000 CPU: 13173.6, 0.00312595/step Wall: 13173.6, 0.00312595/step, 0.810142 hours remaining, 235.148438 MB of memory in use. ENERGY: 4067000 4071.1951 20570.1319 14417.6665 234.7861 -203223.6708 2711.6557 0.0000 0.0000 51963.3795 -109254.8560 298.6343 -161218.2355 -108901.4328 299.6436 -103.3274 -77.6472 763140.2214 13.3769 13.4146 PRESSURE: 4067200 89.9214 72.9683 -0.024057 72.9682 3.18399 79.1511 -0.0236565 79.1514 39.2982 GPRESSURE: 4067200 40.9003 96.4037 108.932 114.698 41.741 -18.5239 -89.7659 95.0516 124 PRESSAVG: 4067200 -20.3991 -27.3883 45.3804 -27.3884 -18.8715 -85.4294 45.3804 -85.4294 25.0099 GPRESSAVG: 4067200 -20.1955 -28.2011 45.6661 -25.0758 -19.4154 -85.2449 46.7562 -88.1078 24.9791 TIMING: 4067200 CPU: 13174.2, 0.0031341/step Wall: 13174.2, 0.0031341/step, 0.812081 hours remaining, 235.148438 MB of memory in use. ENERGY: 4067200 3991.3615 20548.0839 14401.1479 234.7931 -203372.2406 2909.5181 0.0000 0.0000 51955.9256 -109331.4106 298.5914 -161287.3362 -108969.9607 299.6374 44.1345 68.8806 762047.3663 -4.7536 -4.8773 PRESSURE: 4067400 -193.982 -20.9964 351.893 -20.9966 -219.328 -24.7531 351.893 -24.7542 15.8484 GPRESSURE: 4067400 -178.692 113.18 376.176 -80.7954 -129.218 11.9381 260.017 2.06224 -8.99753 PRESSAVG: 4067400 44.0669 -16.999 67.1246 -16.999 -48.3122 -2.4637 67.1246 -2.46375 26.8903 GPRESSAVG: 4067400 46.0391 -15.845 68.8219 -19.3854 -49.2497 -2.77035 64.8531 -0.0479756 26.1704 TIMING: 4067400 CPU: 13174.8, 0.00313449/step Wall: 13174.8, 0.00313449/step, 0.812008 hours remaining, 235.148438 MB of memory in use. ENERGY: 4067400 3976.1570 20670.5114 14395.2927 231.5417 -203471.8109 2676.7044 0.0000 0.0000 52126.7257 -109394.8781 299.5730 -161521.6037 -109020.5261 299.2019 -132.4874 -105.6357 762401.5405 7.5483 7.6533 PRESSURE: 4067600 289.271 129.572 -31.5398 129.572 -66.8342 -75.7303 -31.5401 -75.73 -64.7317 GPRESSURE: 4067600 262.968 42.3804 -129.518 188.508 -12.3042 -112.977 122.952 -87.5044 -15.5503 PRESSAVG: 4067600 -0.866033 28.1572 41.193 28.1573 -0.465502 15.1905 41.193 15.1905 -7.92259 GPRESSAVG: 4067600 -2.1171 27.9518 39.0502 27.9973 0.90177 15.7052 42.7682 14.1289 -8.04459 TIMING: 4067600 CPU: 13175.4, 0.00312036/step Wall: 13175.4, 0.00312036/step, 0.808174 hours remaining, 235.148438 MB of memory in use. ENERGY: 4067600 3983.6120 20674.3211 14456.8106 246.8870 -203379.4846 2463.5913 0.0000 0.0000 52138.2829 -109415.9796 299.6394 -161554.2625 -109051.4074 299.6301 52.5682 78.3712 761254.1888 -3.0847 -3.0866 PRESSURE: 4067800 -144.698 203.413 -298.916 203.413 -337.294 -155.209 -298.915 -155.209 -130.464 GPRESSURE: 4067800 -122.696 194.907 -245.005 130.728 -285.563 -116.434 -283.39 -139.957 -126.912 PRESSAVG: 4067800 12.9333 30.4854 -18.4846 30.4853 -2.1736 -76.359 -18.4846 -76.359 28.0048 GPRESSAVG: 4067800 13.676 31.0867 -19.0154 29.815 -3.10254 -74.9771 -17.0953 -76.7665 28.531 TIMING: 4067800 CPU: 13176.1, 0.00313712/step Wall: 13176.1, 0.00313712/step, 0.812339 hours remaining, 235.148438 MB of memory in use. ENERGY: 4067800 3951.6925 20425.2949 14425.2025 256.9005 -202931.6278 2360.9380 0.0000 0.0000 51949.6382 -109561.9612 298.5553 -161511.5994 -109193.4715 298.8282 -204.1522 -178.3902 762175.6500 12.9215 13.0348 PRESSURE: 4068000 -126.879 -84.4082 -102.867 -84.4085 -161.618 -58.7469 -102.867 -58.7455 71.0058 GPRESSURE: 4068000 -55.5785 -90.2534 -125.374 -119.907 -23.3332 -108.16 -258.511 -67.9786 -54.3134 PRESSAVG: 4068000 -15.8447 -7.91802 -21.3628 -7.91795 27.6523 -8.04857 -21.3628 -8.04859 -9.94726 GPRESSAVG: 4068000 -15.8072 -9.15356 -19.5576 -6.59925 28.5261 -11.0505 -23.594 -7.70656 -10.4197 TIMING: 4068000 CPU: 13176.7, 0.00310659/step Wall: 13176.7, 0.00310659/step, 0.804261 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4068000 3982.0394 20650.1975 14472.0803 242.7387 -203185.4879 2654.1522 0.0000 0.0000 51894.2398 -109290.0400 298.2369 -161184.2798 -108938.9745 299.1397 -72.4970 -44.4084 763290.2136 0.6201 0.7664 PRESSURE: 4068200 -63.1108 -111.059 -17.098 -111.058 -235.06 39.5453 -17.0989 39.5442 -24.5474 GPRESSURE: 4068200 63.1588 -156.747 -20.1033 -137.026 -282.998 16.6677 -154.376 74.8452 -15.2974 PRESSAVG: 4068200 -16.1214 5.38752 -38.5148 5.38754 12.5108 -49.4174 -38.5148 -49.4174 4.76474 GPRESSAVG: 4068200 -16.9111 5.79592 -39.4545 3.43879 13.6561 -48.6421 -38.8624 -48.3876 4.74687 TIMING: 4068200 CPU: 13177.3, 0.00313719/step Wall: 13177.3, 0.00313719/step, 0.812009 hours remaining, 235.148438 MB of memory in use. ENERGY: 4068200 4038.0231 20645.9870 14471.4704 241.3185 -203697.0114 2886.0960 0.0000 0.0000 52212.6619 -109201.4546 300.0669 -161414.1165 -108831.5370 299.4853 -107.5727 -78.3789 763328.2622 0.3847 0.4973 LDB: ============= START OF LOAD BALANCING ============== 13189.7 LDB: ============== END OF LOAD BALANCING =============== 13189.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13189.7 LDB: ============= START OF LOAD BALANCING ============== 13190.1 LDB: Largest compute 7058 load 0.032564 is 16.7% of average load 0.195528 LDB: Average compute 0.004408 is 2.3% of average load 0.195528 LDB: TIME 13190.1 LOAD: AVG 0.195528 MAX 0.215181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.875 MB LDB: TIME 13190.1 LOAD: AVG 0.195528 MAX 0.215181 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: TIME 13190.1 LOAD: AVG 0.195528 MAX 0.215181 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: ============== END OF LOAD BALANCING =============== 13190.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13190.1 PRESSURE: 4068400 -282.803 -77.2082 -26.8797 -77.2078 113.45 39.2956 -26.8803 39.2967 -197.6 GPRESSURE: 4068400 -238.001 -52.5966 -70.981 -50.573 105.985 199.713 -39.2035 93.1626 -149.443 PRESSAVG: 4068400 -18.1154 -56.0901 -13.6552 -56.0902 33.529 -12.3175 -13.6552 -12.3175 33.5991 GPRESSAVG: 4068400 -16.5864 -55.7147 -12.0369 -55.7138 32.0976 -11.4635 -11.883 -13.3728 33.6256 TIMING: 4068400 CPU: 13178, 0.00321208/step Wall: 13178, 0.00321207/step, 0.831214 hours remaining, 236.167969 MB of memory in use. ENERGY: 4068400 4114.6501 20587.1459 14567.4843 248.3580 -202974.3840 2415.9046 0.0000 0.0000 51855.3113 -109185.5298 298.0132 -161040.8411 -108829.3563 299.6588 -122.3178 -93.8199 764593.8661 16.3375 16.3789 PRESSURE: 4068600 141.576 0.543145 -20.2272 0.54287 -19.0449 269.873 -20.228 269.872 52.6058 GPRESSURE: 4068600 155.172 41.125 -64.1908 -42.1594 31.7566 237.727 42.25 181.559 54.2705 PRESSAVG: 4068600 9.73603 -44.9218 -51.8823 -44.9218 -20.0854 15.6721 -51.8824 15.6721 -9.31746 GPRESSAVG: 4068600 9.63667 -45.6119 -52.4443 -44.5003 -19.9035 14.8388 -53.6048 16.6611 -9.56904 TIMING: 4068600 CPU: 13178.6, 0.00313833/step Wall: 13178.6, 0.00313833/step, 0.811955 hours remaining, 236.238281 MB of memory in use. ENERGY: 4068600 4059.3232 20530.9055 14517.0832 239.3889 -203456.7033 2859.4980 0.0000 0.0000 52187.2859 -109063.2187 299.9210 -161250.5046 -108698.5618 300.0207 58.3790 80.3996 763063.0296 -6.5556 -6.6120 PRESSURE: 4068800 39.0429 1.64054 -138.995 1.6407 -173.59 -89.7673 -138.994 -89.768 163.756 GPRESSURE: 4068800 2.28275 -59.495 -143.372 23.1036 -144.661 -114.886 -203.454 39.8094 240.745 PRESSAVG: 4068800 19.3677 -45.0173 -0.0450854 -45.0173 10.094 -59.0502 -0.0451509 -59.0503 -8.37342 GPRESSAVG: 4068800 18.2482 -44.9508 -0.997432 -42.9311 9.98404 -59.3235 1.54323 -58.7742 -7.52509 TIMING: 4068800 CPU: 13179.2, 0.00314133/step Wall: 13179.2, 0.00314133/step, 0.812557 hours remaining, 236.238281 MB of memory in use. ENERGY: 4068800 3953.9959 20487.5939 14495.1754 232.5180 -203738.9518 3155.2876 0.0000 0.0000 52263.9690 -109150.4119 300.3617 -161414.3810 -108785.9242 299.8025 9.7364 32.7891 763322.1119 7.0294 6.9024 PRESSURE: 4069000 -171.095 109.554 202.801 109.553 -115.613 65.7795 202.801 65.7783 -295.377 GPRESSURE: 4069000 -176.617 94.9023 174.806 136.35 -126.308 -1.83107 107.213 19.2399 -220.021 PRESSAVG: 4069000 4.11994 12.2425 -28.1075 12.2425 -5.93338 -12.9586 -28.1074 -12.9586 10.4143 GPRESSAVG: 4069000 4.29865 10.4547 -26.5742 10.9346 -5.59655 -13.7675 -29.5823 -12.9423 9.4157 TIMING: 4069000 CPU: 13179.8, 0.00314966/step Wall: 13179.8, 0.00314966/step, 0.814536 hours remaining, 236.496094 MB of memory in use. ENERGY: 4069000 4038.3444 20673.0184 14430.7304 261.9184 -203015.9589 2277.1656 0.0000 0.0000 52180.9418 -109153.8399 299.8846 -161334.7817 -108793.7040 299.7908 -194.0286 -174.3151 762629.9200 2.8670 2.7059 PRESSURE: 4069200 6.08056 -14.6353 -46.2157 -14.6348 39.5393 -14.5174 -46.2165 -14.518 -325.719 GPRESSURE: 4069200 36.2854 -53.7114 -31.418 -100.375 120.453 84.655 -100.271 -59.3115 -346.318 PRESSAVG: 4069200 48.1776 -17.0204 31.4931 -17.0205 -41.1439 -11.564 31.4931 -11.564 -10.0706 GPRESSAVG: 4069200 48.4254 -17.1345 29.8821 -18.3806 -40.0978 -10.8916 32.8147 -11.6747 -10.74 TIMING: 4069200 CPU: 13180.5, 0.00313721/step Wall: 13180.5, 0.00313721/step, 0.811142 hours remaining, 236.496094 MB of memory in use. ENERGY: 4069200 4050.5500 20454.6647 14491.1430 278.1973 -203102.7679 2590.1218 0.0000 0.0000 52235.7061 -109002.3850 300.1993 -161238.0911 -108650.4564 299.7765 -93.3663 -63.1930 762773.8457 -1.0123 -0.8041 PRESSURE: 4069400 -55.4803 137.398 -276.606 137.397 47.0584 154.718 -276.606 154.718 197.129 GPRESSURE: 4069400 -26.9806 80.6699 -264.006 102.425 101.784 112.328 -136.206 154.146 204.736 PRESSAVG: 4069400 69.4299 -9.36939 -22.9489 -9.36945 -62.1847 -21.5129 -22.9489 -21.513 15.3818 GPRESSAVG: 4069400 68.9899 -7.83964 -21.5531 -7.65014 -62.2286 -22.0179 -24.7953 -22.8079 15.4702 TIMING: 4069400 CPU: 13181.1, 0.00315008/step Wall: 13181.1, 0.00315008/step, 0.814296 hours remaining, 236.496094 MB of memory in use. ENERGY: 4069400 4106.3694 20625.5601 14389.3905 242.2671 -203395.8272 2731.7474 0.0000 0.0000 52276.1494 -109024.3434 300.4317 -161300.4928 -108657.3153 300.3732 62.9024 93.1798 761533.8428 7.5424 7.4105 PRESSURE: 4069600 -394.476 -174.595 -46.6543 -174.595 84.3314 -131.149 -46.654 -131.148 24.9078 GPRESSURE: 4069600 -345.186 -45.5183 0.00265704 -177.972 160.115 -50.831 -123.146 -168.791 3.84336 PRESSAVG: 4069600 3.99929 -72.5108 28.6737 -72.5108 -44.6461 2.12956 28.6737 2.12952 -9.71865 GPRESSAVG: 4069600 3.88196 -72.2485 29.1752 -72.7582 -45.6019 3.18209 30.4756 3.82657 -8.55982 TIMING: 4069600 CPU: 13181.7, 0.00318498/step Wall: 13181.7, 0.00318498/step, 0.82314 hours remaining, 236.496094 MB of memory in use. ENERGY: 4069600 3994.3413 20649.0007 14415.6673 244.5370 -203014.1580 2382.6737 0.0000 0.0000 52408.8871 -108919.0508 301.1946 -161327.9379 -108564.7761 300.5096 -95.0790 -60.4094 761677.2398 -16.7885 -16.7599 PRESSURE: 4069800 -103.348 158.063 130.615 158.062 38.417 -186.572 130.614 -186.572 328.561 GPRESSURE: 4069800 -56.9193 35.008 80.9969 159.047 60.6852 -133.228 143.146 -16.8781 339.98 PRESSAVG: 4069800 -62.5371 -46.3201 12.6883 -46.3201 36.3861 11.0178 12.6882 11.0179 6.83181 GPRESSAVG: 4069800 -61.8873 -46.2862 11.1844 -46.6964 36.3607 11.8205 12.4591 11.1943 6.17554 TIMING: 4069800 CPU: 13182.4, 0.00314341/step Wall: 13182.4, 0.00314341/step, 0.812221 hours remaining, 236.496094 MB of memory in use. ENERGY: 4069800 3963.8263 20655.1470 14402.7665 238.0592 -203227.1090 2573.0652 0.0000 0.0000 52030.3684 -109363.8764 299.0192 -161394.2449 -108996.1020 299.9636 87.8766 114.5821 762017.1306 -6.4397 -6.4504 PRESSURE: 4070000 -38.1389 47.7375 71.7537 47.7365 167.339 175.484 71.7532 175.486 -20.6034 GPRESSURE: 4070000 15.4773 50.1234 67.3303 11.5074 228.856 124.643 37.4302 182.954 -65.9964 PRESSAVG: 4070000 0.661752 -11.1411 29.6095 -11.1411 8.83811 8.94859 29.6094 8.94862 9.78304 GPRESSAVG: 4070000 1.2798 -10.4292 29.2143 -10.5319 9.53093 7.64367 29.6607 9.02426 8.71138 TIMING: 4070000 CPU: 13183, 0.00313116/step Wall: 13183, 0.00313116/step, 0.808884 hours remaining, 236.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4070000 4019.3503 20657.5987 14412.9535 259.2672 -203204.9738 2464.2080 0.0000 0.0000 52087.9105 -109303.6855 299.3499 -161391.5960 -108954.9347 299.7489 36.1991 59.4458 762638.2299 6.4276 6.5074 PRESSURE: 4070200 212.352 90.7568 55.6017 90.7567 391.557 -265.005 55.6017 -265.005 131.463 GPRESSURE: 4070200 146.819 -13.5752 -21.1824 -94.3074 501.346 -240.779 101.005 -128.388 154.477 PRESSAVG: 4070200 22.9195 -22.8965 9.52733 -22.8966 -20.7237 -20.9875 9.52728 -20.9875 -8.29834 GPRESSAVG: 4070200 22.1638 -23.2933 9.19161 -25.2909 -20.9556 -20.8912 8.68068 -23.861 -7.09483 TIMING: 4070200 CPU: 13183.6, 0.00312606/step Wall: 13183.6, 0.00312606/step, 0.807392 hours remaining, 236.496094 MB of memory in use. ENERGY: 4070200 4092.0720 20529.9203 14445.5432 243.7509 -203394.8512 2602.0661 0.0000 0.0000 52023.0504 -109458.4483 298.9772 -161481.4987 -109094.5299 300.0054 245.1241 267.5473 761514.1068 -2.0342 -1.9622 PRESSURE: 4070400 -358.055 -3.77862 4.91701 -3.77797 -41.0993 -238.847 4.91721 -238.846 159.974 GPRESSURE: 4070400 -266.726 -100.044 22.2657 8.99139 -73.2945 -270.411 -0.0988994 -97.7625 191.854 PRESSAVG: 4070400 13.0489 -27.4893 43.6704 -27.4893 1.12679 17.1455 43.6704 17.1455 17.0157 GPRESSAVG: 4070400 13.8572 -26.5137 44.7511 -24.7804 0.692642 17.528 43.9952 16.8405 16.8447 TIMING: 4070400 CPU: 13184.2, 0.00312307/step Wall: 13184.2, 0.00312307/step, 0.806446 hours remaining, 236.496094 MB of memory in use. ENERGY: 4070400 4025.4258 20558.5781 14475.7847 256.4520 -203194.4056 2466.5466 0.0000 0.0000 51889.3341 -109522.2843 298.2087 -161411.6184 -109165.9479 299.3717 -79.7267 -49.3888 762337.4193 10.3971 10.4649 PRESSURE: 4070600 54.5273 179.42 -29.6929 179.421 -443.88 239.413 -29.6917 239.412 -45.2691 GPRESSURE: 4070600 51.0304 151.54 -86.3495 118.105 -386.298 269.857 -33.1993 174.911 -15.4311 PRESSAVG: 4070600 76.5128 -50.231 19.7799 -50.2309 -36.9972 -30.9242 19.7798 -30.9242 -8.11108 GPRESSAVG: 4070600 76.4326 -52.2141 17.9294 -51.4561 -37.1752 -29.8454 19.767 -28.9471 -8.54308 TIMING: 4070600 CPU: 13184.9, 0.00313083/step Wall: 13184.9, 0.00313083/step, 0.808276 hours remaining, 236.496094 MB of memory in use. ENERGY: 4070600 4096.9116 20444.6845 14486.7043 257.8336 -203156.2224 2456.6576 0.0000 0.0000 52018.7507 -109394.6802 298.9525 -161413.4309 -109033.7596 299.1967 -144.8740 -116.8997 761220.1066 10.4682 10.2381 PRESSURE: 4070800 -109.092 41.3577 -76.05 41.3583 -292.055 -8.72422 -76.05 -8.7247 -14.3016 GPRESSURE: 4070800 -104.46 31.6041 -24.7038 -7.13773 -228.917 11.5719 -24.9561 79.076 3.81361 PRESSAVG: 4070800 36.7591 -44.4859 -55.7819 -44.4859 -26.0177 1.06472 -55.7818 1.06473 24.386 GPRESSAVG: 4070800 37.2918 -43.0408 -53.4179 -44.282 -25.7717 -0.00594384 -55.2797 0.585369 24.0515 TIMING: 4070800 CPU: 13185.5, 0.00312551/step Wall: 13185.5, 0.00312551/step, 0.806728 hours remaining, 236.496094 MB of memory in use. ENERGY: 4070800 4042.7081 20445.4317 14455.9100 260.2048 -203403.6429 2719.3400 0.0000 0.0000 52376.4638 -109103.5844 301.0083 -161480.0483 -108750.0876 299.5389 -138.4830 -109.8542 762439.9899 11.7091 11.8572 PRESSURE: 4071000 98.1273 -78.0415 35.4827 -78.0424 -560.108 23.2528 35.4828 23.2536 -11.4244 GPRESSURE: 4071000 153.596 -28.7712 33.0577 -53.4966 -447.822 103.181 33.7763 20.824 -97.6714 PRESSAVG: 4071000 -5.59964 -80.2163 -22.2775 -80.2163 -0.726019 49.0668 -22.2775 49.0668 -3.73827 GPRESSAVG: 4071000 -5.31047 -82.6797 -23.794 -79.0352 -2.03567 47.4488 -21.7848 47.8019 -2.67682 TIMING: 4071000 CPU: 13186.1, 0.00311275/step Wall: 13186.1, 0.00311275/step, 0.803263 hours remaining, 236.496094 MB of memory in use. ENERGY: 4071000 4045.6695 20611.4145 14459.0904 239.4478 -202697.3586 2396.8445 0.0000 0.0000 52149.3330 -108795.5590 299.7029 -160944.8919 -108432.8057 300.5595 -157.8017 -130.6327 762774.6894 -3.3546 -3.3410 PRESSURE: 4071200 41.0809 -187.78 6.60952 -187.78 3.49176 -55.8525 6.60935 -55.852 247.928 GPRESSURE: 4071200 89.9295 -156.346 59.3243 -205.276 40.2405 -29.1307 35.7981 46.8915 261.506 PRESSAVG: 4071200 44.5606 -28.0549 9.50685 -28.0549 -45.1384 -1.88672 9.50685 -1.88678 -1.66382 GPRESSAVG: 4071200 44.4721 -26.4722 10.4886 -27.8053 -43.3301 0.377002 10.1954 -2.16083 -3.00354 TIMING: 4071200 CPU: 13186.7, 0.0031165/step Wall: 13186.7, 0.0031165/step, 0.804057 hours remaining, 236.496094 MB of memory in use. ENERGY: 4071200 3956.7176 20502.9495 14550.5114 230.1111 -204100.0621 3163.4812 0.0000 0.0000 52561.2884 -109135.0030 302.0704 -161696.2914 -108769.1469 300.4225 97.5002 130.5586 759820.7371 -0.7472 -0.6205 PRESSURE: 4071400 73.6144 58.8061 -41.312 58.8066 128.784 -156.756 -41.3126 -156.756 -191.634 GPRESSURE: 4071400 101.826 116.397 -31.2167 -15.1632 225.221 -180.44 -1.50515 -99.7899 -225.351 PRESSAVG: 4071400 35.3222 2.20204 44.4496 2.20201 -36.373 16.7296 44.4496 16.7297 -12.6293 GPRESSAVG: 4071400 34.936 1.42062 44.8928 0.142733 -36.8683 15.242 42.6684 18.8608 -11.6539 TIMING: 4071400 CPU: 13187.4, 0.00314037/step Wall: 13187.4, 0.00314037/step, 0.81004 hours remaining, 236.496094 MB of memory in use. ENERGY: 4071400 4019.6856 20523.4342 14446.7814 230.3668 -202973.0274 2674.7879 0.0000 0.0000 52020.8656 -109057.1060 298.9646 -161077.9715 -108705.6904 299.9537 3.5881 33.8986 762196.6556 -4.5600 -4.5287 PRESSURE: 4071600 90.9631 33.6109 -83.5704 33.6114 -57.0366 -46.0847 -83.5706 -46.0847 -125.109 GPRESSURE: 4071600 91.8098 -37.5657 -66.9226 -54.2086 -26.3329 -53.8102 -143.425 -108.677 -88.6142 PRESSAVG: 4071600 31.7601 -31.8887 9.21244 -31.8887 -18.0738 -26.25 9.2125 -26.25 -21.8894 GPRESSAVG: 4071600 30.8764 -32.3621 8.84877 -31.2395 -16.8606 -24.7666 10.4118 -28.8142 -22.7762 TIMING: 4071600 CPU: 13188, 0.00315497/step Wall: 13188, 0.00315497/step, 0.813632 hours remaining, 236.496094 MB of memory in use. ENERGY: 4071600 3981.9842 20527.1196 14493.3559 243.3533 -202871.2652 2447.9679 0.0000 0.0000 52230.5401 -108946.9442 300.1696 -161177.4843 -108587.1112 299.9645 -30.3943 -7.7124 762461.8206 -2.7344 -2.9201 PRESSURE: 4071800 40.0258 4.72676 37.2173 4.72719 -280.391 104.292 37.2175 104.292 -490.902 GPRESSURE: 4071800 43.054 -66.4881 7.5602 33.5189 -235.618 157.178 90.3735 84.1204 -475.224 PRESSAVG: 4071800 20.0347 30.9672 -25.3959 30.9673 -10.1135 23.1171 -25.3959 23.1171 -1.86129 GPRESSAVG: 4071800 20.5849 30.4549 -26.0085 31.0241 -10.7036 23.3274 -24.065 25.1177 -1.4731 TIMING: 4071800 CPU: 13188.6, 0.00313684/step Wall: 13188.6, 0.00313684/step, 0.808783 hours remaining, 236.496094 MB of memory in use. ENERGY: 4071800 4033.2790 20462.5321 14471.4176 252.1864 -203111.1214 2534.9971 0.0000 0.0000 52274.7314 -109081.9779 300.4236 -161356.7092 -108725.2619 300.1766 -243.7556 -222.5960 761781.9549 2.6866 2.8027 PRESSURE: 4072000 -119.747 -126.332 60.278 -126.332 -664.181 -184.762 60.2779 -184.761 11.7328 GPRESSURE: 4072000 -77.0122 -58.5351 138.354 -85.7031 -542.93 -266.21 -57.8031 -142.17 -76.7955 PRESSAVG: 4072000 72.2932 -27.723 -31.2559 -27.7231 -64.0619 27.1323 -31.2559 27.1323 -12.5768 GPRESSAVG: 4072000 73.8579 -28.0776 -30.2825 -26.464 -65.2947 27.19 -31.5252 25.8344 -13.1884 TIMING: 4072000 CPU: 13189.3, 0.00312739/step Wall: 13189.3, 0.00312739/step, 0.806172 hours remaining, 236.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4072000 3994.4776 20679.2983 14506.4019 239.5166 -202769.8760 2241.2426 0.0000 0.0000 51975.8752 -109133.0638 298.7061 -161108.9390 -108783.8112 300.2323 -257.3982 -232.2458 763145.8873 -1.4485 -1.5417 PRESSURE: 4072200 -35.3441 35.2861 325.274 35.2868 -402.258 -9.80583 325.274 -9.80502 -372.026 GPRESSURE: 4072200 -85.488 0.741172 303.472 39.5845 -395.887 -28.5129 215.226 -29.7349 -266.571 PRESSAVG: 4072200 90.5183 -18.8505 24.479 -18.8506 -82.9709 -14.3421 24.479 -14.3421 -8.07732 GPRESSAVG: 4072200 89.5488 -16.657 24.9344 -20.5964 -83.2301 -16.5013 22.0218 -13.1567 -7.39965 TIMING: 4072200 CPU: 13189.9, 0.0031463/step Wall: 13189.9, 0.0031463/step, 0.810872 hours remaining, 236.496094 MB of memory in use. ENERGY: 4072200 4000.3327 20581.1398 14457.8914 237.0329 -202886.9642 2484.5469 0.0000 0.0000 51974.4888 -109151.5318 298.6981 -161126.0206 -108793.2918 299.5906 -269.8758 -249.3152 763290.1773 -0.1766 -0.3603 LDB: ============= START OF LOAD BALANCING ============== 13202.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13202.3 LDB: =============== DONE WITH MIGRATION ================ 13202.3 LDB: ============= START OF LOAD BALANCING ============== 13202.6 LDB: Largest compute 7068 load 0.033515 is 17.1% of average load 0.195551 LDB: Average compute 0.004416 is 2.3% of average load 0.195551 LDB: TIME 13202.6 LOAD: AVG 0.195551 MAX 0.210811 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.402 MB LDB: TIME 13202.6 LOAD: AVG 0.195551 MAX 0.210811 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: TIME 13202.6 LOAD: AVG 0.195551 MAX 0.210811 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: ============== END OF LOAD BALANCING =============== 13202.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13202.6 PRESSURE: 4072400 86.6524 4.69032 113.68 4.68978 -85.715 -179.365 113.68 -179.363 3.5184 GPRESSURE: 4072400 140.636 18.8286 58.8463 -95.359 -74.3608 -85.2312 73.3826 -186.555 11.9324 PRESSAVG: 4072400 31.9567 -45.9185 -21.5944 -45.9185 -51.9008 -50.9727 -21.5944 -50.9726 9.86216 GPRESSAVG: 4072400 33.4665 -45.114 -21.1978 -45.4716 -52.4083 -48.5363 -23.4615 -50.9599 8.81155 TIMING: 4072400 CPU: 13190.5, 0.00318662/step Wall: 13190.5, 0.00318662/step, 0.821086 hours remaining, 236.937500 MB of memory in use. ENERGY: 4072400 4006.2365 20622.5686 14435.3026 250.5939 -203088.2241 2563.1702 0.0000 0.0000 51975.4027 -109234.9496 298.7034 -161210.3523 -108880.5970 299.4104 1.4853 26.0692 763057.3893 -3.3606 -3.3767 PRESSURE: 4072600 425.734 -123.949 93.1247 -123.949 -61.1074 -206.407 93.1245 -206.408 -269.152 GPRESSURE: 4072600 417.315 -85.9389 109.002 -121.818 -10.4904 -178.352 139.691 15.7392 -225.258 PRESSAVG: 4072600 63.572 39.5186 -2.90417 39.5185 -65.4956 15.1418 -2.90426 15.1418 -8.74763 GPRESSAVG: 4072600 62.0077 40.1403 -3.61495 39.9476 -64.5487 14.8383 -0.750095 14.4875 -8.05122 TIMING: 4072600 CPU: 13191.1, 0.00311938/step Wall: 13191.1, 0.00311938/step, 0.803586 hours remaining, 237.007812 MB of memory in use. ENERGY: 4072600 4028.2484 20394.8741 14486.1810 260.6984 -203478.2419 2661.4903 0.0000 0.0000 52356.1738 -109290.5757 300.8917 -161646.7495 -108929.8237 299.5148 31.8248 60.5221 760803.0584 -3.5571 -3.5307 PRESSURE: 4072800 -193.343 -39.5467 0.547526 -39.5476 7.90307 63.4023 0.54737 63.4032 -13.8617 GPRESSURE: 4072800 -218.376 -56.9782 56.6082 69.2288 37.7451 121.6 5.99206 -15.2589 70.6178 PRESSAVG: 4072800 -22.8426 26.7237 47.1086 26.7237 -56.0378 30.5973 47.1086 30.5973 -8.52407 GPRESSAVG: 4072800 -22.4997 26.1301 47.2611 26.9518 -56.1942 30.0578 47.7317 29.9001 -8.76404 TIMING: 4072800 CPU: 13191.8, 0.00313329/step Wall: 13191.8, 0.00313329/step, 0.806996 hours remaining, 237.007812 MB of memory in use. ENERGY: 4072800 3990.8091 20546.6271 14453.1413 253.7171 -203045.6493 2454.0498 0.0000 0.0000 51984.0537 -109363.2511 298.7531 -161347.3048 -108995.3285 299.3422 -66.4340 -36.6712 762942.4369 -29.1348 -29.1527 PRESSURE: 4073000 -182.407 -120.569 -67.8486 -120.569 193.498 -298.175 -67.8477 -298.176 148.831 GPRESSURE: 4073000 -24.8095 -138.32 -1.655 -75.3029 175.978 -282.295 15.6662 -185.015 93.2181 PRESSAVG: 4073000 42.8513 -36.269 -0.99308 -36.2689 12.9188 20.1505 -0.993087 20.1503 -5.70337 GPRESSAVG: 4073000 43.7003 -35.287 0.425442 -36.5233 12.4791 20.9411 -0.896802 20.9264 -5.59293 TIMING: 4073000 CPU: 13192.4, 0.00313364/step Wall: 13192.4, 0.00313364/step, 0.806913 hours remaining, 237.007812 MB of memory in use. ENERGY: 4073000 3920.0353 20692.5627 14465.4335 269.9515 -203614.2354 2783.0010 0.0000 0.0000 51982.0526 -109501.1987 298.7416 -161483.2513 -109144.1519 299.1911 53.3070 81.4621 761576.8515 16.6889 16.8622 PRESSURE: 4073200 75.492 5.65425 -259.206 5.65356 -276.969 80.5544 -259.207 80.5548 -172.181 GPRESSURE: 4073200 157.262 42.3849 -277.616 5.31069 -319.876 -24.9644 -144.661 36.8535 -141.213 PRESSAVG: 4073200 -2.52537 -36.1287 13.1043 -36.1288 -3.91253 -27.877 13.1043 -27.877 -1.75943 GPRESSAVG: 4073200 -1.54736 -37.204 13.9176 -38.243 -4.24109 -29.3479 13.8671 -27.5649 -2.94197 TIMING: 4073200 CPU: 13193, 0.00312713/step Wall: 13193, 0.00312713/step, 0.805062 hours remaining, 237.007812 MB of memory in use. ENERGY: 4073200 3920.3131 20517.0076 14507.6327 248.3478 -203281.5455 2532.4066 0.0000 0.0000 51964.1203 -109591.7175 298.6385 -161555.8378 -109238.9095 298.9603 -124.5529 -101.2754 761949.2362 -2.7324 -2.9101 PRESSURE: 4073400 14.6649 -79.8488 -56.791 -79.8482 30.5627 -42.069 -56.79 -42.0683 -146.567 GPRESSURE: 4073400 30.0773 21.328 -98.2723 -17.8852 87.9504 7.04167 -34.5673 28.0916 -119.876 PRESSAVG: 4073400 25.2425 -12.5815 35.2437 -12.5815 0.310154 46.9713 35.2436 46.9713 -16.6406 GPRESSAVG: 4073400 25.4361 -13.3389 33.8876 -8.59026 -0.923942 47.1102 33.5908 46.9506 -15.1174 TIMING: 4073400 CPU: 13193.7, 0.00312961/step Wall: 13193.7, 0.00312961/step, 0.805527 hours remaining, 237.007812 MB of memory in use. ENERGY: 4073400 4059.9114 20564.2430 14469.5288 217.6623 -203374.7989 2563.1880 0.0000 0.0000 51949.0664 -109551.1990 298.5520 -161500.2654 -109189.3048 299.2371 -33.7798 -0.6162 762042.1419 2.9707 3.1316 PRESSURE: 4073600 -105.875 10.8297 226.335 10.8292 -149.874 81.396 226.335 81.3955 28.0889 GPRESSURE: 4073600 -60.2003 58.6556 247.118 -110.153 -131.122 84.3746 110.227 114.968 15.1101 PRESSAVG: 4073600 55.3535 -9.94597 -6.98152 -9.94606 -74.1536 60.1371 -6.98148 60.1371 -23.2323 GPRESSAVG: 4073600 54.4253 -9.69132 -8.08835 -12.8764 -73.1487 60.8108 -4.91019 59.9641 -23.2107 TIMING: 4073600 CPU: 13194.3, 0.00311792/step Wall: 13194.3, 0.00311792/step, 0.802344 hours remaining, 237.007812 MB of memory in use. ENERGY: 4073600 4076.6682 20684.2740 14485.5294 245.6443 -203421.1869 2519.0838 0.0000 0.0000 52125.4901 -109284.4971 299.5659 -161409.9872 -108934.3568 299.6178 -75.8867 -58.7374 763139.2905 -14.0108 -13.9781 PRESSURE: 4073800 200.181 -166.592 -27.3478 -166.592 110.21 -16.7951 -27.3479 -16.7946 -87.7508 GPRESSURE: 4073800 222.711 -172.13 -43.8386 -126.174 148.269 -2.91531 -8.0147 -83.233 -72.869 PRESSAVG: 4073800 6.38644 -32.1098 47.0166 -32.1098 5.28239 41.0878 47.0166 41.0878 20.1949 GPRESSAVG: 4073800 7.23308 -32.5921 48.4947 -31.1223 5.32266 41.3423 45.0475 39.4995 19.6517 TIMING: 4073800 CPU: 13194.9, 0.00312651/step Wall: 13194.9, 0.00312651/step, 0.804381 hours remaining, 237.007812 MB of memory in use. ENERGY: 4073800 3961.3109 20594.8620 14543.0763 241.2695 -203751.9797 2886.0812 0.0000 0.0000 52260.1974 -109265.1824 300.3401 -161525.3798 -108901.4136 300.1405 74.2134 99.3701 760961.8484 10.6212 10.7358 PRESSURE: 4074000 -100.566 179.44 -80.9062 179.439 -153.712 -195.103 -80.9062 -195.103 -86.4123 GPRESSURE: 4074000 -44.6329 224.752 4.48044 110.721 -115.64 -167.243 -65.7432 -44.9971 -80.1549 PRESSAVG: 4074000 -27.2194 34.6582 14.5395 34.6581 -2.80116 65.6706 14.5395 65.6706 -12.6903 GPRESSAVG: 4074000 -28.1122 34.9506 12.9171 34.1443 -2.42491 65.8306 15.2665 68.3113 -11.618 TIMING: 4074000 CPU: 13195.5, 0.00312948/step Wall: 13195.5, 0.00312948/step, 0.804971 hours remaining, 237.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4074000 4039.5021 20425.1730 14527.4356 240.5009 -203193.3595 2607.2975 0.0000 0.0000 52234.7581 -109118.6922 300.1939 -161353.4503 -108749.2879 299.9828 -113.5634 -80.1425 761440.1733 -14.2370 -14.0517 PRESSURE: 4074200 158.343 -28.0683 -143.183 -28.0683 366.16 -164.996 -143.184 -164.995 149.405 GPRESSURE: 4074200 266.09 14.2431 -128.785 -39.7989 418.372 -142.745 -272.397 -127 81.8007 PRESSAVG: 4074200 -13.0216 43.4065 5.29397 43.4064 -5.42501 39.4346 5.29394 39.4346 18.8749 GPRESSAVG: 4074200 -13.41 42.625 5.67925 44.1547 -3.8387 37.6047 5.01914 38.5206 18.4215 TIMING: 4074200 CPU: 13196.2, 0.00311778/step Wall: 13196.2, 0.00311778/step, 0.801788 hours remaining, 237.007812 MB of memory in use. ENERGY: 4074200 4056.0866 20477.7222 14398.6579 239.7212 -203324.1707 2798.6728 0.0000 0.0000 52090.5288 -109262.7812 299.3650 -161353.3100 -108898.7590 299.9641 224.6359 255.4211 760926.4143 0.1427 0.3909 PRESSURE: 4074400 217.43 94.9801 28.01 94.9801 334.429 -122.808 28.0108 -122.807 -53.1417 GPRESSURE: 4074400 280.06 98.0424 98.4405 128.437 361.92 -152.168 -23.2868 -130.528 -33.2607 PRESSAVG: 4074400 28.625 -23.6759 -14.5635 -23.6758 -1.8013 -14.6075 -14.5635 -14.6075 17.532 GPRESSAVG: 4074400 30.4449 -24.1319 -11.1902 -21.9615 -2.70299 -13.4254 -15.8172 -15.8165 16.4737 TIMING: 4074400 CPU: 13196.8, 0.00310434/step Wall: 13196.8, 0.00310434/step, 0.79816 hours remaining, 237.007812 MB of memory in use. ENERGY: 4074400 4060.9160 20472.8181 14445.0558 257.6026 -203710.0785 2997.3409 0.0000 0.0000 52170.6875 -109305.6575 299.8257 -161476.3450 -108939.3471 299.8277 166.2388 202.9063 760324.4240 14.7852 14.7385 PRESSURE: 4074600 -87.7024 45.3396 115.717 45.3403 -131.383 99.3972 115.717 99.3958 -251.025 GPRESSURE: 4074600 -32.9114 107.527 94.3466 -22.7955 -121.976 146.594 147.002 -1.68782 -219.718 PRESSAVG: 4074600 30.7383 -48.9214 18.8832 -48.9214 -39.5462 40.3901 18.8831 40.3899 -11.1377 GPRESSAVG: 4074600 29.8149 -46.9276 14.8159 -49.6933 -38.5434 40.6195 20.9659 39.6181 -11.0492 TIMING: 4074600 CPU: 13197.4, 0.00312283/step Wall: 13197.4, 0.00312283/step, 0.802741 hours remaining, 237.007812 MB of memory in use. ENERGY: 4074600 3957.7554 20564.7064 14500.8276 251.5118 -203456.2932 2485.3738 0.0000 0.0000 52169.3831 -109526.7350 299.8182 -161696.1182 -109166.6938 299.4344 -156.7034 -124.8685 760740.1480 -6.6486 -6.5926 PRESSURE: 4074800 -189.002 -226.289 -58.8273 -226.288 93.4969 196.233 -58.8278 196.233 111.778 GPRESSURE: 4074800 -110.602 -204.646 -51.273 -326.445 94.7731 147.389 -153.539 156.829 126.685 PRESSAVG: 4074800 23.0469 -14.5216 7.21302 -14.5216 -19.2478 0.320542 7.21301 0.320571 -1.31155 GPRESSAVG: 4074800 23.4135 -16.5517 9.16775 -16.8862 -20.0988 -0.716005 5.72289 1.24625 -1.62462 TIMING: 4074800 CPU: 13198, 0.00310559/step Wall: 13198, 0.0031056/step, 0.798138 hours remaining, 237.007812 MB of memory in use. ENERGY: 4074800 3964.6808 20580.4179 14467.1228 248.0490 -203408.3486 2511.4065 0.0000 0.0000 52236.2858 -109400.3856 300.2027 -161636.6714 -109041.0047 299.6999 5.4246 36.9520 760654.7449 0.8292 0.5634 PRESSURE: 4075000 399.304 -12.8683 -90.7878 -12.8684 150.967 -89.7819 -90.7881 -89.7835 114.926 GPRESSURE: 4075000 403.329 -1.32447 -119.741 21.3225 198.048 -63.0933 37.1767 -122.694 136.731 PRESSAVG: 4075000 63.0518 -41.3824 -22.2055 -41.3825 -24.6496 13.0217 -22.2055 13.0216 -8.0404 GPRESSAVG: 4075000 62.0819 -38.4346 -21.6846 -40.2786 -24.7445 13.3298 -24.4434 13.842 -7.0299 TIMING: 4075000 CPU: 13198.6, 0.0031288/step Wall: 13198.6, 0.0031288/step, 0.803929 hours remaining, 237.007812 MB of memory in use. ENERGY: 4075000 3884.8027 20537.5860 14401.4537 241.3672 -203489.6779 2543.8469 0.0000 0.0000 52352.5332 -109528.0882 300.8707 -161880.6214 -109172.3974 299.7149 221.7323 246.0362 759755.4256 10.1206 10.1025 PRESSURE: 4075200 -17.1379 -260.386 -254.497 -260.386 101.801 353.683 -254.499 353.683 385.963 GPRESSURE: 4075200 7.56081 -303.828 -233.95 -258.943 163.927 337.9 -327.846 324.395 375.7 PRESSAVG: 4075200 49.9746 -41.6067 -5.49066 -41.6067 -1.43227 29.8777 -5.49069 29.8777 11.7113 GPRESSAVG: 4075200 49.9011 -43.0624 -7.58128 -41.2116 -1.95574 30.3674 0.0909672 28.6411 11.8582 TIMING: 4075200 CPU: 13199.3, 0.00314077/step Wall: 13199.3, 0.00314077/step, 0.80683 hours remaining, 237.007812 MB of memory in use. ENERGY: 4075200 3932.2946 20669.6556 14435.4807 257.9817 -203484.4379 2727.4270 0.0000 0.0000 51976.6433 -109484.9550 298.7105 -161461.5983 -109124.3039 299.4501 156.8756 182.3959 759831.2584 20.0846 19.9345 PRESSURE: 4075400 76.0753 207.071 -52.4776 207.071 -106.149 383.65 -52.4778 383.65 -302.828 GPRESSURE: 4075400 -0.832275 4.74437 -12.9896 199.967 -47.9566 344.321 -236.012 478.109 -183.728 PRESSAVG: 4075400 -26.6059 5.39158 -17.4032 5.39151 17.8111 20.893 -17.4031 20.8929 15.0658 GPRESSAVG: 4075400 -26.3751 3.57442 -15.918 4.81835 18.3363 21.3495 -21.3434 22.3281 14.2066 TIMING: 4075400 CPU: 13199.9, 0.00313075/step Wall: 13199.9, 0.00313075/step, 0.804082 hours remaining, 237.007812 MB of memory in use. ENERGY: 4075400 4015.8063 20578.8511 14461.6092 242.3207 -203245.3726 2501.2515 0.0000 0.0000 52164.5424 -109280.9913 299.7903 -161445.5337 -108917.4434 299.6291 -110.9673 -77.5056 761730.6721 2.0903 2.0560 PRESSURE: 4075600 25.1286 -76.6973 173.299 -76.6971 -90.8505 -89.7324 173.3 -89.7331 -38.0764 GPRESSURE: 4075600 -43.9006 31.2534 223.891 -36.3818 71.2481 -69.0238 210.05 -116.36 -25.9489 PRESSAVG: 4075600 30.511 -37.816 -10.2127 -37.816 13.504 1.12037 -10.2127 1.1203 -3.93674 GPRESSAVG: 4075600 30.7383 -36.4264 -10.7262 -37.2511 14.0774 -1.70055 -6.65619 2.52498 -4.6844 TIMING: 4075600 CPU: 13200.5, 0.00313452/step Wall: 13200.5, 0.00313452/step, 0.804875 hours remaining, 237.007812 MB of memory in use. ENERGY: 4075600 4074.5277 20340.8026 14484.9062 239.0541 -202736.6336 2423.6432 0.0000 0.0000 51990.3019 -109183.3979 298.7890 -161173.6998 -108827.3306 299.4217 -34.5994 0.4662 762660.4781 13.3594 13.3771 PRESSURE: 4075800 -139.016 -153.303 -7.42988 -153.302 129.773 149.737 -7.42929 149.738 265.663 GPRESSURE: 4075800 6.48729 -172.682 -43.6805 -137.82 155.135 95.2919 63.4239 190.188 202.83 PRESSAVG: 4075800 -0.114692 -0.445497 -0.872458 -0.445526 -3.20375 -15.7011 -0.872485 -15.7011 26.8697 GPRESSAVG: 4075800 0.757815 -1.43612 0.479366 -1.70458 -4.53098 -13.1005 -3.88826 -15.9448 27.7502 TIMING: 4075800 CPU: 13201.1, 0.0031189/step Wall: 13201.1, 0.0031189/step, 0.800692 hours remaining, 237.007812 MB of memory in use. ENERGY: 4075800 3948.9342 20410.9831 14480.7306 240.3165 -203186.0791 2584.1284 0.0000 0.0000 52496.1841 -109024.8020 301.6963 -161520.9862 -108657.3896 299.8162 85.4734 121.4840 762632.2993 7.8504 7.9923 PRESSURE: 4076000 54.3578 75.7868 211.771 75.7871 8.02919 -214.299 211.771 -214.299 -334.236 GPRESSURE: 4076000 78.3644 146.919 165.442 82.2751 -36.9938 -181.3 227.969 -154.295 -223.77 PRESSAVG: 4076000 30.5557 -1.76477 -4.17692 -1.76471 -39.4547 34.7697 -4.17688 34.7696 -10.545 GPRESSAVG: 4076000 29.1943 -4.40126 -6.13817 0.479487 -38.8999 36.9697 -1.96912 35.41 -10.0491 TIMING: 4076000 CPU: 13201.8, 0.0031301/step Wall: 13201.8, 0.0031301/step, 0.803391 hours remaining, 237.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4076000 4023.3915 20450.3575 14482.0388 241.6432 -203244.2964 2769.5594 0.0000 0.0000 52225.1025 -109052.2036 300.1384 -161277.3061 -108690.3239 300.0572 -90.6163 -60.7998 762230.2466 -6.4813 -6.5849 PRESSURE: 4076200 -219.772 -138.889 36.4027 -138.889 -299.018 41.5044 36.4025 41.5031 -508.16 GPRESSURE: 4076200 -143.958 -38.3714 -16.8873 -180.604 -310.83 42.9602 -57.0421 -32.1032 -477.382 PRESSAVG: 4076200 -4.12151 -50.8894 33.1314 -50.8893 18.5086 -24.0112 33.1315 -24.0112 7.05074 GPRESSAVG: 4076200 -3.45213 -47.5682 33.9063 -51.746 18.4634 -26.0172 32.5655 -25.2597 6.16204 TIMING: 4076200 CPU: 13202.4, 0.00312757/step Wall: 13202.4, 0.00312757/step, 0.802569 hours remaining, 237.007812 MB of memory in use. ENERGY: 4076200 3973.5175 20666.8395 14521.6134 235.8284 -202714.7612 2274.5508 0.0000 0.0000 52065.5001 -108976.9115 299.2211 -161042.4116 -108607.9376 300.1936 -342.3168 -310.7233 762457.9397 7.1460 7.0578 LDB: ============= START OF LOAD BALANCING ============== 13214.8 LDB: ============== END OF LOAD BALANCING =============== 13214.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13214.8 LDB: ============= START OF LOAD BALANCING ============== 13215.1 LDB: Largest compute 7068 load 0.031942 is 16.3% of average load 0.195567 LDB: Average compute 0.004396 is 2.2% of average load 0.195567 LDB: TIME 13215.1 LOAD: AVG 0.195567 MAX 0.213875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.957 MB LDB: TIME 13215.1 LOAD: AVG 0.195567 MAX 0.213875 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: TIME 13215.1 LOAD: AVG 0.195567 MAX 0.213875 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: ============== END OF LOAD BALANCING =============== 13215.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.1 PRESSURE: 4076400 -245.118 -148.116 -27.5775 -148.116 -90.2228 -105.426 -27.5773 -105.426 -8.05331 GPRESSURE: 4076400 -164.022 -141.27 18.1764 -132.976 -85.4607 -16.2392 -91.6903 -130.861 -16.2366 PRESSAVG: 4076400 31.726 -94.9274 -23.4398 -94.9274 -36.7295 -37.0912 -23.4398 -37.0913 -13.2095 GPRESSAVG: 4076400 31.9848 -96.1956 -21.4943 -96.4856 -37.5971 -36.3192 -24.4308 -37.0105 -12.8081 TIMING: 4076400 CPU: 13203, 0.00318863/step Wall: 13203, 0.00318863/step, 0.81806 hours remaining, 234.800781 MB of memory in use. ENERGY: 4076400 4027.2627 20519.6005 14431.5822 258.3095 -202642.3281 2263.8195 0.0000 0.0000 51979.3780 -109162.3758 298.7262 -161141.7538 -108809.2184 299.9087 -114.4646 -88.5731 762406.1410 -6.0710 -6.1401 PRESSURE: 4076600 -145.348 -73.4688 153.363 -73.4682 -429.433 -0.430038 153.363 -0.429108 39.9271 GPRESSURE: 4076600 -155.038 4.46355 92.0005 -71.7368 -327.238 -19.3661 98.4062 62.4287 40.0727 PRESSAVG: 4076600 -21.0177 -66.9286 -9.81982 -66.9286 -44.7015 6.00815 -9.81983 6.00814 17.656 GPRESSAVG: 4076600 -20.4705 -66.3386 -10.8561 -66.5498 -44.5706 5.52937 -9.49753 6.69078 16.6631 TIMING: 4076600 CPU: 13203.7, 0.00312065/step Wall: 13203.7, 0.00312065/step, 0.800447 hours remaining, 234.800781 MB of memory in use. ENERGY: 4076600 4013.3355 20281.7172 14456.2301 258.4953 -203010.1719 2560.8054 0.0000 0.0000 52227.1284 -109212.4600 300.1500 -161439.5884 -108844.9643 299.7821 -178.2848 -147.4011 761081.2798 -16.0211 -16.1260 PRESSURE: 4076800 -295.406 10.2688 141.367 10.2693 114.238 227.528 141.367 227.528 -121.022 GPRESSURE: 4076800 -236.368 -15.0907 226.226 -84.4524 60.6042 230.675 89.9282 23.3135 -50.81 PRESSAVG: 4076800 70.0691 -39.287 -15.9981 -39.2871 -7.53291 -16.3283 -15.9982 -16.3283 16.1858 GPRESSAVG: 4076800 68.835 -37.624 -16.0622 -39.858 -7.1545 -15.8478 -16.2856 -17.6312 16.6883 TIMING: 4076800 CPU: 13204.3, 0.0031225/step Wall: 13204.3, 0.0031225/step, 0.800747 hours remaining, 234.800781 MB of memory in use. ENERGY: 4076800 3976.3520 20406.6100 14470.4577 237.5375 -202902.0138 2348.0836 0.0000 0.0000 52142.0843 -109320.8886 299.6613 -161462.9729 -108952.9889 299.0881 -100.7297 -75.5247 761499.3584 26.2407 26.1229 PRESSURE: 4077000 -11.9439 -28.4419 165.923 -28.4413 -113.07 8.35535 165.924 8.35581 31.5131 GPRESSURE: 4077000 -61.5022 -112.889 115.098 -104.692 34.0347 85.8101 123.308 11.8127 22.3108 PRESSAVG: 4077000 24.3647 -98.0627 15.6785 -98.0627 46.89 45.7232 15.6785 45.7232 12.1924 GPRESSAVG: 4077000 24.1897 -99.3877 14.6458 -97.2491 47.0997 45.6588 16.7732 44.2812 12.2359 TIMING: 4077000 CPU: 13204.9, 0.00312361/step Wall: 13204.9, 0.00312361/step, 0.800858 hours remaining, 234.996094 MB of memory in use. ENERGY: 4077000 3924.6384 20659.0706 14513.8626 239.0321 -203189.2312 2578.4354 0.0000 0.0000 51831.4687 -109442.7234 297.8762 -161274.1921 -109082.4411 299.0197 -31.1670 -1.7189 761777.6051 27.8157 27.8417 PRESSURE: 4077200 -9.33741 -220.008 -144.7 -220.007 -397.772 189.184 -144.7 189.184 6.79123 GPRESSURE: 4077200 -7.45252 -145.35 -194.736 -193.116 -298.305 194.638 -212.543 199.855 -8.46706 PRESSAVG: 4077200 29.4326 -89.9046 -7.48317 -89.9046 -11.3758 25.5314 -7.48312 25.5315 27.2485 GPRESSAVG: 4077200 29.4827 -90.2266 -7.58054 -89.5541 -10.5366 24.5643 -6.48373 25.9451 27.2867 TIMING: 4077200 CPU: 13205.5, 0.00310898/step Wall: 13205.5, 0.00310898/step, 0.796935 hours remaining, 234.996094 MB of memory in use. ENERGY: 4077200 3967.4387 20530.8778 14460.6031 244.0680 -203392.3755 2540.6276 0.0000 0.0000 52255.3387 -109393.4217 300.3121 -161648.7604 -109023.4386 299.5067 -133.4395 -104.7415 762955.3955 15.1018 15.4109 PRESSURE: 4077400 -293.974 -132.187 -89.3491 -132.187 -165.655 -162.31 -89.3499 -162.311 -237.289 GPRESSURE: 4077400 -257.924 -132.398 -88.4304 -130.528 -95.2605 -261.525 23.108 -50.6807 -255.698 PRESSAVG: 4077400 33.127 -70.743 -11.1231 -70.743 -3.32314 1.93473 -11.123 1.93471 -13.2123 GPRESSAVG: 4077400 33.5722 -70.2532 -10.741 -70.9738 -3.78625 2.11851 -13.246 2.32937 -12.9542 TIMING: 4077400 CPU: 13206.2, 0.00309613/step Wall: 13206.2, 0.00309613/step, 0.793469 hours remaining, 234.996094 MB of memory in use. ENERGY: 4077400 4049.5263 20532.3933 14557.4765 243.7108 -203242.8518 2492.8468 0.0000 0.0000 52016.8345 -109350.0637 298.9415 -161366.8981 -108995.0746 299.0679 -232.3060 -202.9611 761456.2235 5.5305 5.6106 PRESSURE: 4077600 314.164 -49.9304 67.7381 -49.9299 -200.592 39.5608 67.7374 39.5617 119.104 GPRESSURE: 4077600 350.559 -130.557 105.034 72.6918 -149.83 -55.3534 7.6711 160.236 122.019 PRESSAVG: 4077600 -30.3428 -81.6334 44.2767 -81.6333 -5.06637 11.9233 44.2768 11.9233 -1.88248 GPRESSAVG: 4077600 -30.0276 -81.214 46.4999 -83.155 -4.0475 11.5282 44.0402 12.4108 -2.86802 TIMING: 4077600 CPU: 13206.8, 0.00311516/step Wall: 13206.8, 0.00311516/step, 0.798172 hours remaining, 234.996094 MB of memory in use. ENERGY: 4077600 3927.5843 20622.3839 14484.8999 250.4448 -203394.1642 2726.5054 0.0000 0.0000 52179.8457 -109202.5002 299.8783 -161382.3459 -108834.8470 299.5323 77.5584 107.5828 763306.4489 -12.4305 -12.3144 PRESSURE: 4077800 395.872 45.4311 -205.846 45.4301 82.6472 105.387 -205.846 105.387 181.287 GPRESSURE: 4077800 490.418 137.75 -226.291 -111.4 69.7885 108.725 -18.1975 89.6928 182.038 PRESSAVG: 4077800 -15.6403 -32.53 -17.7153 -32.53 -7.42995 51.4368 -17.7153 51.4367 14.6164 GPRESSAVG: 4077800 -14.1943 -35.1537 -18.9191 -32.1439 -9.60778 52.6427 -16.1469 51.917 15.1746 TIMING: 4077800 CPU: 13207.4, 0.00310923/step Wall: 13207.4, 0.00310923/step, 0.79648 hours remaining, 234.996094 MB of memory in use. ENERGY: 4077800 3937.5352 20640.0053 14526.7006 237.3505 -203479.1317 2794.5047 0.0000 0.0000 52026.6406 -109316.3949 298.9978 -161343.0355 -108951.2857 299.5852 219.9355 247.4147 761227.2176 -2.8180 -2.8758 PRESSURE: 4078000 37.4132 -29.6088 4.55544 -29.6095 0.792278 -115.628 4.55532 -115.628 -314.596 GPRESSURE: 4078000 80.3074 -26.9307 88.6309 -15.7861 -14.1021 -87.312 18.3049 -67.2965 -242.711 PRESSAVG: 4078000 37.628 -42.9894 -6.88684 -42.9893 -50.1781 31.3534 -6.8868 31.3534 -4.25921 GPRESSAVG: 4078000 37.4691 -41.1511 -5.21063 -43.8006 -49.908 30.3402 -8.6172 31.6015 -3.92749 TIMING: 4078000 CPU: 13208, 0.00309473/step Wall: 13208, 0.00309473/step, 0.792595 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4078000 4055.7113 20478.3383 14502.4148 272.8817 -203259.4892 2634.3163 0.0000 0.0000 52069.9270 -109245.8999 299.2466 -161315.8269 -108882.2465 299.2397 -92.1301 -58.8353 762110.6317 -5.6031 -5.4555 PRESSURE: 4078200 -304.17 29.1514 45.7167 29.1516 -355.867 -209.217 45.7165 -209.217 142.477 GPRESSURE: 4078200 -301.685 75.3234 26.6004 5.41105 -239.727 -186.822 -72.4755 -196.319 100.368 PRESSAVG: 4078200 40.5797 -29.5448 17.6376 -29.5448 -21.1825 52.7142 17.6376 52.7141 -10.9126 GPRESSAVG: 4078200 39.5148 -30.0298 15.8366 -29.4099 -20.424 52.5099 19.7769 51.1419 -10.6521 TIMING: 4078200 CPU: 13208.6, 0.00309531/step Wall: 13208.6, 0.00309531/step, 0.792571 hours remaining, 234.996094 MB of memory in use. ENERGY: 4078200 3904.0973 20545.5013 14429.6652 257.3578 -202874.2850 2418.3721 0.0000 0.0000 51924.8020 -109394.4893 298.4126 -161319.2913 -109026.8180 299.0901 -172.5201 -147.0147 764106.2020 2.8282 2.8129 PRESSURE: 4078400 -96.2483 -121.677 75.5538 -121.678 249.406 -87.5485 75.5545 -87.5496 66.5566 GPRESSURE: 4078400 79.5784 -169.523 95.0029 -113.085 206.543 -98.5395 -30.2029 -27.8005 9.71947 PRESSAVG: 4078400 37.3114 -8.55035 -54.4083 -8.55036 -52.8323 15.6726 -54.4083 15.6727 -2.31663 GPRESSAVG: 4078400 38.0264 -6.93376 -53.9988 -8.62209 -52.7869 15.525 -54.3519 17.4896 -2.8373 TIMING: 4078400 CPU: 13209.3, 0.00310493/step Wall: 13209.3, 0.00310493/step, 0.794862 hours remaining, 234.996094 MB of memory in use. ENERGY: 4078400 3974.9348 20437.1035 14443.6030 273.7250 -203431.0357 2834.4977 0.0000 0.0000 52060.7599 -109406.4118 299.1939 -161467.1716 -109051.9527 299.6991 73.2380 98.6138 761303.6291 -5.9458 -5.8659 PRESSURE: 4078600 -177.292 -82.0084 -47.1841 -82.0077 -196.686 -119.214 -47.1833 -119.213 -86.9854 GPRESSURE: 4078600 -129.244 45.4513 -33.7895 -161.966 -197.068 -160.037 -6.66465 -88.7735 -43.5239 PRESSAVG: 4078600 8.23223 -15.7601 -50.8067 -15.7602 38.2446 -15.5563 -50.8068 -15.5563 11.8566 GPRESSAVG: 4078600 7.59037 -18.754 -50.8648 -15.9097 37.8756 -15.7777 -51.3617 -17.0128 12.3935 TIMING: 4078600 CPU: 13209.9, 0.00310214/step Wall: 13209.9, 0.00310214/step, 0.793977 hours remaining, 234.996094 MB of memory in use. ENERGY: 4078600 4014.8116 20609.1154 14480.5545 244.5419 -203170.2316 2543.1741 0.0000 0.0000 52103.5707 -109174.4634 299.4399 -161278.0341 -108804.5538 299.1796 -153.6545 -123.2785 762510.2915 19.4445 19.2865 PRESSURE: 4078800 -146.256 -65.6994 -23.8356 -65.6992 -34.7396 -79.867 -23.8358 -79.8675 108.487 GPRESSURE: 4078800 -94.6935 14.4488 -53.448 -118.996 -31.6182 -55.1046 -59.412 -99.7709 141.972 PRESSAVG: 4078800 -31.6403 18.8386 -12.9415 18.8385 20.4211 -3.1141 -12.9415 -3.11416 6.68899 GPRESSAVG: 4078800 -31.5263 20.532 -13.0416 20.4932 20.2466 -3.25145 -13.6992 -1.11319 6.45599 TIMING: 4078800 CPU: 13210.5, 0.00311232/step Wall: 13210.5, 0.00311232/step, 0.796409 hours remaining, 234.996094 MB of memory in use. ENERGY: 4078800 3985.7218 20529.3593 14530.1112 237.6606 -203174.8943 2628.5543 0.0000 0.0000 52265.2661 -108998.2209 300.3692 -161263.4871 -108647.6645 299.8068 -24.1693 5.2200 762849.1264 -1.5101 -1.6079 PRESSURE: 4079000 55.2116 -316.922 -120.866 -316.923 -133.529 -219.563 -120.866 -219.563 -155.3 GPRESSURE: 4079000 125.727 -360.609 -78.8796 -349.275 -107.144 -207.563 -87.0037 -23.1074 -170.149 PRESSAVG: 4079000 -61.4235 -43.9855 2.28588 -43.9855 -16.7523 -10.9337 2.28585 -10.9338 12.8402 GPRESSAVG: 4079000 -61.2099 -43.983 3.12673 -45.6378 -16.2169 -11.044 2.18231 -10.0632 12.1679 TIMING: 4079000 CPU: 13211.1, 0.00310765/step Wall: 13211.1, 0.00310765/step, 0.795041 hours remaining, 234.996094 MB of memory in use. ENERGY: 4079000 3990.3962 20620.9596 14483.4946 265.5419 -203156.7001 2547.9479 0.0000 0.0000 52421.7212 -108826.6386 301.2684 -161248.3599 -108462.7679 300.1701 -77.8723 -50.5221 762219.3557 -21.7785 -21.7530 PRESSURE: 4079200 -147.631 38.4971 90.3223 38.4964 -201.477 180.524 90.3234 180.525 -80.4702 GPRESSURE: 4079200 -119.005 62.9626 81.7821 112.699 -122.396 103.943 7.14407 68.7899 -106.646 PRESSAVG: 4079200 -9.01312 -30.4056 2.82896 -30.4056 30.4135 22.3319 2.82894 22.3319 -11.1169 GPRESSAVG: 4079200 -9.36728 -33.1234 2.45558 -28.2839 30.5891 22.0401 3.28085 20.739 -11.2857 TIMING: 4079200 CPU: 13211.7, 0.00310968/step Wall: 13211.7, 0.00310968/step, 0.795388 hours remaining, 235.199219 MB of memory in use. ENERGY: 4079200 4007.4988 20598.0693 14481.1128 258.0702 -202869.4416 2524.8431 0.0000 0.0000 52183.3670 -108816.4804 299.8985 -160999.8474 -108466.2963 300.3146 -143.1925 -116.0157 763515.1059 3.4278 3.3120 PRESSURE: 4079400 290.851 203.814 116.618 203.813 138.444 -202.367 116.618 -202.366 207.763 GPRESSURE: 4079400 236.854 45.3095 125.877 144.393 261.654 -69.9418 132.834 -41.2193 215.647 PRESSAVG: 4079400 7.46198 -70.2542 16.3244 -70.2541 -17.8788 -26.1399 16.3244 -26.1399 3.64842 GPRESSAVG: 4079400 7.00917 -69.4866 16.6239 -71.2974 -18.662 -24.722 17.6188 -25.7809 4.60666 TIMING: 4079400 CPU: 13212.4, 0.00311249/step Wall: 13212.4, 0.00311249/step, 0.795934 hours remaining, 235.199219 MB of memory in use. ENERGY: 4079400 4145.9968 20675.6660 14488.7494 245.5933 -203300.3188 2828.4711 0.0000 0.0000 52237.7303 -108678.1119 300.2110 -160915.8422 -108312.1008 300.2958 212.3524 238.0517 761693.3188 -2.2561 -2.3487 PRESSURE: 4079600 204.59 271.575 -191.184 271.575 106.684 295.283 -191.185 295.283 200.07 GPRESSURE: 4079600 270.604 199.795 -226.22 287.595 55.5884 303.593 -259.185 205.699 257.763 PRESSAVG: 4079600 2.58484 -30.3274 4.93188 -30.3274 -10.425 64.6211 4.93185 64.6211 -3.82993 GPRESSAVG: 4079600 3.42645 -29.3589 5.0994 -28.8995 -10.5556 63.8566 3.62274 63.8137 -4.37137 TIMING: 4079600 CPU: 13213, 0.00311337/step Wall: 13213, 0.00311337/step, 0.795985 hours remaining, 235.414062 MB of memory in use. ENERGY: 4079600 4061.8125 20641.8879 14479.5501 265.6423 -203333.7815 2884.4015 0.0000 0.0000 52198.2107 -108802.2764 299.9838 -161000.4871 -108433.3689 300.6795 170.4481 194.6521 762973.1914 -3.8900 -3.8335 PRESSURE: 4079800 78.1051 108.415 -146.473 108.415 46.4678 50.0927 -146.473 50.0922 -239.466 GPRESSURE: 4079800 111.055 137.045 -114.988 85.5287 94.6315 -35.2293 -179.997 12.0727 -245.432 PRESSAVG: 4079800 31.6881 -20.1138 -26.9672 -20.1138 -53.5944 -48.8766 -26.9673 -48.8766 -22.5389 GPRESSAVG: 4079800 31.9788 -20.7042 -25.9915 -21.3443 -54.4383 -48.0839 -26.7014 -48.0267 -22.0347 TIMING: 4079800 CPU: 13213.6, 0.00314299/step Wall: 13213.6, 0.00314299/step, 0.803383 hours remaining, 235.414062 MB of memory in use. ENERGY: 4079800 3909.0550 20634.6962 14435.1298 237.2694 -202676.0017 2548.3320 0.0000 0.0000 52001.3711 -108910.1482 298.8526 -160911.5194 -108555.4852 300.4278 -38.2979 -13.2484 762646.6852 -14.8151 -14.8314 PRESSURE: 4080000 69.3472 -110.586 38.4459 -110.585 -23.3128 78.7766 38.4462 78.7768 -48.2472 GPRESSURE: 4080000 19.196 48.2308 -39.4482 -74.8365 118.485 -11.1588 107.186 77.844 -48.2463 PRESSAVG: 4080000 20.5165 -15.5357 -5.97742 -15.5357 -13.4544 -6.56852 -5.97739 -6.56847 -18.1351 GPRESSAVG: 4080000 19.4912 -14.2926 -8.4584 -16.7889 -12.2807 -6.92849 -8.40897 -7.5628 -17.8338 TIMING: 4080000 CPU: 13214.2, 0.00310056/step Wall: 13214.2, 0.00310056/step, 0.792364 hours remaining, 235.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4080000 4056.2225 20602.1237 14476.2406 249.1787 -203412.3160 2702.1827 0.0000 0.0000 52341.9249 -108984.4431 300.8098 -161326.3680 -108617.5491 300.5378 -0.7376 29.8117 761763.3646 -3.6910 -3.5411 PRESSURE: 4080200 -50.3976 -113.66 -107.763 -113.661 -4.11566 -142.094 -107.763 -142.093 -44.489 GPRESSURE: 4080200 8.90555 -76.6702 -130.713 -88.7073 -46.3825 -143.221 -102.347 -5.50077 9.30403 PRESSAVG: 4080200 -8.19838 -5.14837 -22.7693 -5.14844 -31.9054 1.20148 -22.7692 1.20154 9.56864 GPRESSAVG: 4080200 -8.30022 -5.20852 -21.5126 -2.42055 -32.094 1.24003 -21.4354 2.60357 10.279 TIMING: 4080200 CPU: 13214.9, 0.00309615/step Wall: 13214.9, 0.00309615/step, 0.791068 hours remaining, 235.414062 MB of memory in use. ENERGY: 4080200 4050.5242 20717.8236 14415.0113 238.8518 -203256.5324 2501.1858 0.0000 0.0000 52211.5391 -109121.5967 300.0604 -161333.1357 -108767.5873 300.1420 -33.0007 -9.3910 761146.3579 -10.1784 -10.0384 LDB: ============= START OF LOAD BALANCING ============== 13227.3 LDB: ============== END OF LOAD BALANCING =============== 13227.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13227.3 LDB: ============= START OF LOAD BALANCING ============== 13227.6 LDB: Largest compute 7068 load 0.035491 is 18.1% of average load 0.195617 LDB: Average compute 0.004386 is 2.2% of average load 0.195617 LDB: TIME 13227.6 LOAD: AVG 0.195617 MAX 0.213607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 13227.6 LOAD: AVG 0.195617 MAX 0.213607 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 13227.6 LOAD: AVG 0.195617 MAX 0.213607 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 13227.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13227.6 PRESSURE: 4080400 -174.063 -9.00825 65.9792 -9.00759 -523.796 -11.6137 65.9795 -11.614 202.276 GPRESSURE: 4080400 -176.58 8.79323 123.162 60.3634 -444.498 66.4979 -64.1294 -63.9209 218.72 PRESSAVG: 4080400 44.7909 -16.6859 -20.3982 -16.6858 -24.438 43.4159 -20.3982 43.4159 22.4269 GPRESSAVG: 4080400 45.4507 -18.076 -21.6637 -19.0222 -24.4102 44.2182 -20.0438 43.7351 21.0649 TIMING: 4080400 CPU: 13215.5, 0.00318879/step Wall: 13215.5, 0.00318879/step, 0.814559 hours remaining, 235.843750 MB of memory in use. ENERGY: 4080400 4048.9673 20607.6551 14487.6347 231.2890 -203301.8178 2525.4209 0.0000 0.0000 52150.2952 -109250.5557 299.7085 -161400.8509 -108879.2227 299.9639 -165.1945 -134.1197 761817.3726 14.2600 14.0351 PRESSURE: 4080600 83.3994 -94.415 103.764 -94.4148 -221.541 158.816 103.764 158.815 47.8065 GPRESSURE: 4080600 111.898 -95.1361 201.565 -84.9935 -119.133 129.079 33.9573 -8.7701 4.54183 PRESSAVG: 4080600 26.1695 -3.01124 -55.5405 -3.01115 22.279 30.1574 -55.5405 30.1573 -12.8145 GPRESSAVG: 4080600 26.4759 -2.8812 -55.436 -2.26525 22.7044 29.6647 -55.1738 30.0146 -13.2452 TIMING: 4080600 CPU: 13216.1, 0.00313588/step Wall: 13216.1, 0.00313588/step, 0.800869 hours remaining, 235.972656 MB of memory in use. ENERGY: 4080600 4026.7911 20714.3507 14434.4497 243.3517 -203509.6625 2713.9601 0.0000 0.0000 52110.7611 -109265.9980 299.4813 -161376.7591 -108899.6432 299.6084 -30.1117 -0.8976 762154.3374 11.8780 11.9784 PRESSURE: 4080800 40.4631 21.2603 -83.5542 21.2605 -258.219 154.369 -83.5541 154.368 -383.604 GPRESSURE: 4080800 17.4199 -6.0211 -78.4375 31.6825 -241.645 170.685 -120.014 94.8614 -282.209 PRESSAVG: 4080800 60.3116 -16.1198 -46.0817 -16.1197 -81.441 15.7345 -46.0817 15.7345 -3.67478 GPRESSAVG: 4080800 60.6093 -14.957 -44.3696 -15.2224 -83.4749 16.0317 -47.0918 15.5193 -1.71334 TIMING: 4080800 CPU: 13216.7, 0.00311901/step Wall: 13216.7, 0.00311901/step, 0.796387 hours remaining, 235.972656 MB of memory in use. ENERGY: 4080800 4001.0463 20595.7680 14500.6682 232.3213 -203287.2506 2593.8564 0.0000 0.0000 52069.0348 -109294.5556 299.2415 -161363.5904 -108941.3705 299.5079 -200.4535 -168.8115 762979.4337 -8.2681 -8.1930 PRESSURE: 4081000 -49.5712 234.406 46.2856 234.406 -337.743 -17.0268 46.2859 -17.0263 -135.633 GPRESSURE: 4081000 -102.296 78.6554 68.8809 194.992 -288.521 -44.5721 73.054 -28.5859 -56.1686 PRESSAVG: 4081000 14.3976 -26.5737 -26.9502 -26.5737 -9.25263 22.1034 -26.9503 22.1034 -7.1201 GPRESSAVG: 4081000 13.688 -28.442 -28.5182 -28.2885 -8.41245 21.5274 -27.2636 22.8553 -7.42437 TIMING: 4081000 CPU: 13217.4, 0.00311521/step Wall: 13217.4, 0.00311521/step, 0.795244 hours remaining, 235.972656 MB of memory in use. ENERGY: 4081000 3992.1487 20402.7580 14421.3454 269.2432 -203332.9129 2444.2564 0.0000 0.0000 52158.2052 -109644.9560 299.7539 -161803.1612 -109274.3923 299.1726 -174.3158 -148.9950 761888.1821 -0.6584 -0.7163 PRESSURE: 4081200 -57.1773 230.744 -25.1401 230.744 -87.9419 73.6901 -25.1407 73.6903 -43.6777 GPRESSURE: 4081200 -48.9994 141.276 -17.5014 272.738 7.53722 54.1977 -0.247247 28.0925 -74.1836 PRESSAVG: 4081200 32.4029 -28.7117 53.7098 -28.7118 4.31156 16.2313 53.7099 16.2312 1.96897 GPRESSAVG: 4081200 31.7981 -25.0551 54.0308 -28.7896 6.45622 16.2022 54.6309 14.9236 0.90478 TIMING: 4081200 CPU: 13218, 0.00311483/step Wall: 13218, 0.00311483/step, 0.794973 hours remaining, 236.175781 MB of memory in use. ENERGY: 4081200 4005.1968 20556.6459 14392.4785 221.7532 -203795.3176 2807.3366 0.0000 0.0000 52173.0268 -109638.8799 299.8391 -161811.9067 -109276.7124 298.8741 -62.9323 -38.5486 761550.1938 12.8945 13.0530 PRESSURE: 4081400 56.9694 -186.305 -110.507 -186.305 -254.913 -92.4458 -110.507 -92.445 -27.014 GPRESSURE: 4081400 40.0366 -184.955 -38.9836 -148.596 -188.234 -110.774 -151.815 -17.1582 -1.85962 PRESSAVG: 4081400 23.5737 -27.0206 -3.8194 -27.0206 -30.22 20.4077 -3.81943 20.4076 -2.09548 GPRESSAVG: 4081400 24.6945 -29.4945 -2.40954 -24.6603 -31.0692 21.7301 -4.67524 19.3275 -2.29155 TIMING: 4081400 CPU: 13218.6, 0.0031141/step Wall: 13218.6, 0.0031141/step, 0.794616 hours remaining, 236.242188 MB of memory in use. ENERGY: 4081400 3953.9186 20451.5791 14499.9077 221.3438 -203721.4076 2812.8373 0.0000 0.0000 52222.1047 -109559.7163 300.1212 -161781.8210 -109203.2896 299.0482 -74.9859 -50.0190 761765.8908 -2.9139 -2.8888 PRESSURE: 4081600 191.701 -230.47 -119.333 -230.47 318.97 -160.385 -119.332 -160.385 -313.262 GPRESSURE: 4081600 226.841 -187.015 -92.9492 -165.006 287.689 -167.545 -197.929 -113.517 -224.721 PRESSAVG: 4081600 -13.0922 17.7253 -93.7521 17.7253 56.6211 -15.4878 -93.7521 -15.4879 11.7733 GPRESSAVG: 4081600 -13.8377 18.7215 -95.1861 15.181 55.4494 -16.6112 -94.692 -15.8678 14.227 TIMING: 4081600 CPU: 13219.2, 0.00312506/step Wall: 13219.2, 0.00312506/step, 0.797238 hours remaining, 236.242188 MB of memory in use. ENERGY: 4081600 3938.0710 20582.0979 14457.6516 278.0152 -203541.5262 2839.8497 0.0000 0.0000 52130.1948 -109315.6462 299.5929 -161445.8410 -108949.1765 299.3926 65.8029 96.6030 761440.0276 18.4341 18.6129 PRESSURE: 4081800 -67.853 134.792 -100.085 134.792 35.7943 -70.5344 -100.085 -70.5346 -156.119 GPRESSURE: 4081800 78.4018 246.359 -137.553 11.733 -32.0636 -82.943 1.84506 -156.084 -146.074 PRESSAVG: 4081800 9.53888 21.4961 7.8508 21.4961 -6.45918 -58.7686 7.85074 -58.7685 18.6202 GPRESSAVG: 4081800 9.96069 19.8012 7.27037 24.342 -6.61226 -56.9253 11.544 -57.7403 17.9922 TIMING: 4081800 CPU: 13219.9, 0.00311457/step Wall: 13219.9, 0.00311457/step, 0.794388 hours remaining, 236.242188 MB of memory in use. ENERGY: 4081800 4035.9368 20468.0595 14436.7346 247.7027 -203143.2545 2399.9977 0.0000 0.0000 52230.9272 -109323.8959 300.1719 -161554.8231 -108958.2653 299.7511 -62.7260 -33.2454 761525.5737 7.2333 7.1136 PRESSURE: 4082000 251.473 -149.358 67.4136 -149.358 47.8997 -210.695 67.4133 -210.695 532.817 GPRESSURE: 4082000 280.119 -16.7418 49.3498 -16.0841 81.9746 -180.442 46.6875 -145.845 557.374 PRESSAVG: 4082000 25.1698 23.1167 -13.4647 23.1166 10.2843 22.3992 -13.4647 22.3991 -13.2075 GPRESSAVG: 4082000 24.1366 24.5749 -13.6706 22.7382 12.5629 20.716 -14.4448 22.5168 -15.142 TIMING: 4082000 CPU: 13220.5, 0.00311635/step Wall: 13220.5, 0.00311635/step, 0.794669 hours remaining, 236.242188 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: 4082000 3991.4657 20489.5225 14513.6098 242.6222 -203717.7601 2782.6883 0.0000 0.0000 52196.9077 -109500.9440 299.9763 -161697.8516 -109137.3362 299.4292 277.3966 306.4893 761501.7170 7.4155 7.1858 PRESSURE: 4082200 36.9867 -47.9527 242.151 -47.9532 -4.19152 135.658 242.15 135.659 17.5821 GPRESSURE: 4082200 113.358 -111.525 271.498 -117.815 87.7768 14.6924 204.177 24.6547 -58.3699 PRESSAVG: 4082200 -9.64453 3.77893 22.9273 3.77886 -22.6483 -35.9435 22.9274 -35.9435 12.9212 GPRESSAVG: 4082200 -9.55685 4.02354 24.4469 3.22925 -23.3854 -35.7448 22.2702 -35.6927 13.7226 TIMING: 4082200 CPU: 13221.1, 0.0031089/step Wall: 13221.1, 0.0031089/step, 0.792596 hours remaining, 236.242188 MB of memory in use. ENERGY: 4082200 3995.5601 20569.1027 14431.9021 251.7022 -203365.5454 2740.9009 0.0000 0.0000 51963.4772 -109412.9001 298.6348 -161376.3773 -109052.4446 299.3048 16.7924 47.5883 762191.2757 -6.4572 -6.4065 PRESSURE: 4082400 44.8704 -150.42 -282.862 -150.42 -23.9509 -98.0002 -282.861 -98.0002 456.545 GPRESSURE: 4082400 15.8544 -176.778 -203.26 -220.909 20.9297 -83.8032 -281.397 51.5119 536.054 PRESSAVG: 4082400 41.7884 -20.9001 18.5001 -20.9002 -9.56385 10.8261 18.5001 10.8261 15.6798 GPRESSAVG: 4082400 42.5846 -25.0489 17.5354 -21.6165 -9.96144 11.1915 17.1567 11.8881 16.2231 TIMING: 4082400 CPU: 13221.7, 0.00312671/step Wall: 13221.7, 0.00312671/step, 0.796963 hours remaining, 236.242188 MB of memory in use. ENERGY: 4082400 3928.6936 20598.0070 14529.2109 241.7409 -203605.7598 2750.3094 0.0000 0.0000 52139.0398 -109418.7581 299.6438 -161557.7979 -109053.4668 299.7312 159.1549 190.9462 761236.0185 15.9681 16.2821 PRESSURE: 4082600 123.304 -205.5 102.058 -205.5 74.022 6.10438 102.058 6.10372 -168.186 GPRESSURE: 4082600 150.606 -139.953 120.073 -226.486 119.491 -71.4924 29.2752 -194.63 -172.904 PRESSAVG: 4082600 2.07865 -34.533 -21.6193 -34.5329 -9.01116 -14.5628 -21.6193 -14.5627 19.5516 GPRESSAVG: 4082600 2.10779 -30.3531 -21.9363 -33.989 -9.42537 -15.3331 -19.9675 -16.1554 19.6731 TIMING: 4082600 CPU: 13222.4, 0.00311761/step Wall: 13222.4, 0.00311761/step, 0.79447 hours remaining, 236.242188 MB of memory in use. ENERGY: 4082600 3974.2840 20464.4243 14470.9672 230.7217 -203129.6854 2513.3636 0.0000 0.0000 51877.0530 -109598.8715 298.1381 -161475.9246 -109240.0186 298.8344 9.7130 32.3976 762067.8489 4.2064 4.1185 PRESSURE: 4082800 25.8887 45.8195 -36.1859 45.8193 1.99129 -83.608 -36.1861 -83.6074 -10.3923 GPRESSURE: 4082800 40.7234 -8.87536 -47.2913 61.1474 4.93722 -166.202 -14.2226 -152.662 50.9594 PRESSAVG: 4082800 -4.41152 -34.5173 9.18091 -34.5174 -19.6016 7.19062 9.18084 7.19064 4.08428 GPRESSAVG: 4082800 -4.42203 -34.1606 9.5309 -35.4192 -18.7056 7.58466 9.67426 8.21664 3.01548 TIMING: 4082800 CPU: 13223, 0.00312554/step Wall: 13223, 0.00312554/step, 0.796317 hours remaining, 236.242188 MB of memory in use. ENERGY: 4082800 4113.7665 20559.3738 14491.8352 241.7992 -203485.6359 2730.2757 0.0000 0.0000 51864.6679 -109483.9177 298.0670 -161348.5856 -109131.8183 298.8869 5.8292 32.2066 761165.2423 -6.6430 -6.7040 PRESSURE: 4083000 27.5825 -185.22 -256.767 -185.221 -17.7461 159.987 -256.767 159.988 -94.1408 GPRESSURE: 4083000 35.7216 -138.686 -163.855 -129.151 16.3374 147.725 -278.444 175.902 -36.4827 PRESSAVG: 4083000 63.321 -67.4538 -29.0677 -67.4538 -51.1513 17.0218 -29.0675 17.0219 0.0951788 GPRESSAVG: 4083000 63.3251 -66.9258 -29.917 -67.2532 -51.8868 16.0076 -31.4121 16.6291 0.68906 TIMING: 4083000 CPU: 13223.6, 0.00313385/step Wall: 13223.6, 0.00313385/step, 0.79826 hours remaining, 236.242188 MB of memory in use. ENERGY: 4083000 3976.0814 20342.1872 14442.6261 252.7613 -203573.2085 2721.5530 0.0000 0.0000 52256.2250 -109581.7746 300.3172 -161837.9996 -109203.5521 298.5041 -28.1014 5.1921 762614.1631 4.0883 4.0424 PRESSURE: 4083200 131.228 -299.773 -169.44 -299.773 -37.1093 164.119 -169.44 164.118 -224.217 GPRESSURE: 4083200 113.391 -395.662 -174.586 -306.033 -3.3026 143.492 -149.189 50.2884 -169.071 PRESSAVG: 4083200 26.3797 -88.0181 0.194326 -88.0182 -10.4373 21.6215 0.194317 21.6216 20.8311 GPRESSAVG: 4083200 27.0726 -90.0985 2.31994 -86.7362 -10.2512 24.28 0.530825 19.5057 20.1067 TIMING: 4083200 CPU: 13224.2, 0.00313031/step Wall: 13224.2, 0.00313031/step, 0.797185 hours remaining, 236.242188 MB of memory in use. ENERGY: 4083200 3923.5003 20476.6103 14370.7856 257.2699 -203591.0953 2761.8043 0.0000 0.0000 52109.1682 -109691.9567 299.4721 -161801.1249 -109329.1023 298.9648 -43.3658 -19.6607 761228.4514 12.2578 12.3094 PRESSURE: 4083400 88.828 -48.6863 -105.834 -48.6864 -60.0707 252.646 -105.834 252.645 108.893 GPRESSURE: 4083400 75.1284 -56.3068 -74.867 -73.2344 -31.777 209.973 -80.3048 391.491 189.228 PRESSAVG: 4083400 35.199 -103.222 -38.7373 -103.222 -12.3741 50.3719 -38.7373 50.372 14.6462 GPRESSAVG: 4083400 34.1147 -103.793 -41.1553 -104.142 -11.9299 47.912 -39.4771 50.4423 14.9822 TIMING: 4083400 CPU: 13224.9, 0.00315601/step Wall: 13224.9, 0.00315601/step, 0.803555 hours remaining, 236.242188 MB of memory in use. ENERGY: 4083400 3956.5760 20558.2565 14458.9454 242.0923 -203440.8935 2683.3544 0.0000 0.0000 51783.1294 -109758.5394 297.5984 -161541.6688 -109402.4944 297.6680 45.8833 77.5265 761183.3323 12.4904 12.3890 PRESSURE: 4083600 -486.91 -4.92042 -169.439 -4.92085 -68.0261 -91.598 -169.44 -91.5982 16.6959 GPRESSURE: 4083600 -410.492 8.37701 -164.604 15.2141 -70.3819 -193.24 -208.015 -155.5 25.271 PRESSAVG: 4083600 -18.6414 -110.859 -15.9325 -110.859 37.6737 -34.2659 -15.9324 -34.2659 -20.9917 GPRESSAVG: 4083600 -17.6887 -109.864 -16.1308 -110.292 37.2082 -33.5596 -14.1973 -32.326 -20.9762 TIMING: 4083600 CPU: 13225.5, 0.00313139/step Wall: 13225.5, 0.00313139/step, 0.797113 hours remaining, 236.242188 MB of memory in use. ENERGY: 4083600 3977.4072 20484.1364 14403.0744 247.1214 -203017.7128 2356.1860 0.0000 0.0000 51914.4932 -109635.2941 298.3533 -161549.7873 -109274.3807 298.7401 -179.4134 -151.8675 761409.7220 -0.6531 -0.4856 PRESSURE: 4083800 220.677 -72.991 -286.252 -72.9912 175.048 -42.7318 -286.252 -42.7319 -133.946 GPRESSURE: 4083800 196.428 -89.4774 -154.849 -6.6726 240.298 -43.5785 -387.112 -17.5287 -89.6416 PRESSAVG: 4083800 20.6282 -82.1702 -7.65178 -82.1702 -24.8843 -5.029 -7.65175 -5.02901 19.982 GPRESSAVG: 4083800 20.1771 -80.5418 -7.21261 -81.5243 -24.7192 -4.71702 -6.24976 -7.351 20.1113 TIMING: 4083800 CPU: 13226.1, 0.00313965/step Wall: 13226.1, 0.00313965/step, 0.799041 hours remaining, 236.242188 MB of memory in use. ENERGY: 4083800 4020.4091 20379.5722 14466.4733 241.9296 -203018.4511 2544.5612 0.0000 0.0000 51872.1164 -109493.3894 298.1098 -161365.5058 -109140.3496 299.4894 87.2598 115.6950 760633.7568 5.2419 5.1897 PRESSURE: 4084000 344.363 -168.801 -243.47 -168.801 -26.4283 -187.04 -243.471 -187.04 54.0496 GPRESSURE: 4084000 336.673 -158.379 -300.931 -265.778 -38.145 -253.183 -46.8541 -191.234 150.982 PRESSAVG: 4084000 24.8538 -38.1825 -42.2289 -38.1825 -42.9292 -24.2243 -42.2289 -24.2243 7.89206 GPRESSAVG: 4084000 25.2143 -40.2563 -41.655 -39.5534 -42.9502 -23.3298 -45.0679 -22.4482 7.81766 TIMING: 4084000 CPU: 13226.7, 0.00312813/step Wall: 13226.7, 0.00312813/step, 0.795936 hours remaining, 236.242188 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: 4084000 4028.9788 20437.8974 14465.6147 255.0698 -203151.2841 2372.1728 0.0000 0.0000 52051.2678 -109540.2828 299.1394 -161591.5506 -109186.6324 299.0546 123.9946 149.8368 760827.5723 -3.3944 -3.3061 PRESSURE: 4084200 -439.475 -214.92 97.693 -214.92 43.2137 159.024 97.6924 159.024 165.95 GPRESSURE: 4084200 -349.458 -173.652 95.7452 -251.48 145.805 142.053 50.8075 155.99 70.5661 PRESSAVG: 4084200 2.44556 -41.3674 -49.6357 -41.3674 -28.1233 -27.2334 -49.6358 -27.2334 30.8083 GPRESSAVG: 4084200 2.3375 -40.518 -48.7919 -40.1834 -26.0488 -28.4491 -49.251 -26.9642 29.1678 TIMING: 4084200 CPU: 13227.4, 0.00314044/step Wall: 13227.4, 0.00314044/step, 0.798893 hours remaining, 236.242188 MB of memory in use. ENERGY: 4084200 3954.9850 20248.4691 14391.4009 243.2986 -203141.0093 2459.4868 0.0000 0.0000 52283.0206 -109560.3485 300.4712 -161843.3690 -109201.2078 298.8876 -76.7703 -44.3622 761963.0605 1.7102 1.8188 LDB: ============= START OF LOAD BALANCING ============== 13239.8 LDB: ============== END OF LOAD BALANCING =============== 13239.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13239.8 LDB: ============= START OF LOAD BALANCING ============== 13240.1 LDB: Largest compute 7068 load 0.033514 is 17.1% of average load 0.195546 LDB: Average compute 0.004402 is 2.3% of average load 0.195546 LDB: TIME 13240.1 LOAD: AVG 0.195546 MAX 0.214939 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.465 MB LDB: TIME 13240.1 LOAD: AVG 0.195546 MAX 0.214939 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.469 MB LDB: TIME 13240.1 LOAD: AVG 0.195546 MAX 0.214939 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.469 MB LDB: ============== END OF LOAD BALANCING =============== 13240.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13240.1 PRESSURE: 4084400 40.0167 4.51712 40.9018 4.51767 -29.748 -222.537 40.9006 -222.537 -573.025 GPRESSURE: 4084400 -54.4031 -40.3859 -53.7806 -113.962 62.8231 -217.739 -35.1583 -158.811 -479.596 PRESSAVG: 4084400 31.3019 -57.5911 33.5437 -57.5912 -45.7162 -16.3696 33.5436 -16.3696 -9.93824 GPRESSAVG: 4084400 31.6664 -58.6629 33.8999 -57.6637 -46.4717 -16.9355 32.0648 -15.0001 -9.60003 TIMING: 4084400 CPU: 13228, 0.00321349/step Wall: 13228, 0.00321349/step, 0.817299 hours remaining, 236.933594 MB of memory in use. ENERGY: 4084400 3950.1596 20359.7738 14450.0909 240.5222 -203183.7163 2483.6257 0.0000 0.0000 52145.8967 -109553.6474 299.6832 -161699.5441 -109194.3988 298.8415 -187.5854 -157.0586 761575.3533 -8.1175 -8.1351 PRESSURE: 4084600 -25.3625 -233.322 -50.9988 -233.323 -167.885 67.5674 -50.9977 67.5678 41.2212 GPRESSURE: 4084600 98.9854 -239.666 -36.9903 -96.286 -217.364 86.7986 -132.546 35.902 50.4958 PRESSAVG: 4084600 74.2927 -103.466 9.03027 -103.466 14.3704 -5.53379 9.03027 -5.53378 7.46843 GPRESSAVG: 4084600 74.4171 -100.84 7.68481 -104.206 14.0693 -4.04807 9.63482 -7.53942 7.55019 TIMING: 4084600 CPU: 13228.6, 0.0031128/step Wall: 13228.6, 0.0031128/step, 0.791516 hours remaining, 236.933594 MB of memory in use. ENERGY: 4084600 4018.6020 20605.2772 14427.1071 234.3886 -203503.5881 2647.7245 0.0000 0.0000 52048.5443 -109521.9443 299.1237 -161570.4887 -109161.6556 299.1531 -50.6754 -22.6277 763224.4377 32.0439 32.0122 PRESSURE: 4084800 -172.063 -100.1 64.2579 -100.101 100.823 -58.3977 64.2574 -58.3972 -142.25 GPRESSURE: 4084800 -126.101 -222.51 31.8269 -90.0384 170.563 -59.2687 -53.4795 -24.6394 -168.746 PRESSAVG: 4084800 11.8965 -37.2479 -43.4918 -37.2478 -27.2057 -30.0332 -43.4919 -30.0331 1.24514 GPRESSAVG: 4084800 11.5346 -38.6047 -45.297 -37.4663 -27.1579 -31.5616 -42.5187 -29.6624 1.54205 TIMING: 4084800 CPU: 13229.3, 0.00313059/step Wall: 13229.3, 0.00313059/step, 0.795865 hours remaining, 237.058594 MB of memory in use. ENERGY: 4084800 4069.2325 20412.6067 14430.4602 240.8046 -203326.9525 2706.4132 0.0000 0.0000 52066.4696 -109400.9658 299.2267 -161467.4354 -109036.4682 299.3899 -71.1636 -41.4280 761495.2434 -4.6880 -4.6938 PRESSURE: 4085000 -208.951 127.608 37.0785 127.609 -551.569 -24.6854 37.0776 -24.6853 -414.863 GPRESSURE: 4085000 -148.362 168.852 60.118 128.529 -583.972 -30.0859 -63.4045 -29.6721 -361.537 PRESSAVG: 4085000 88.2149 -11.8111 -28.7243 -11.811 -110.476 -12.0574 -28.7243 -12.0573 28.4219 GPRESSAVG: 4085000 88.4 -13.7995 -27.6778 -11.5443 -110.936 -11.0959 -30.1889 -11.4331 28.698 TIMING: 4085000 CPU: 13229.9, 0.00311736/step Wall: 13229.9, 0.00311736/step, 0.79233 hours remaining, 237.277344 MB of memory in use. ENERGY: 4085000 3994.9050 20521.4419 14367.4005 252.8628 -202917.9474 2229.2398 0.0000 0.0000 52119.0930 -109433.0044 299.5291 -161552.0974 -109064.3589 299.6732 -391.7942 -364.6234 764193.1153 2.0535 2.0539 PRESSURE: 4085200 118.086 -31.7059 75.2015 -31.7063 27.3953 62.3011 75.2021 62.3015 -370.288 GPRESSURE: 4085200 109.41 -149.961 65.5696 25.2083 48.7607 123.764 60.3528 -29.7324 -302.02 PRESSAVG: 4085200 53.9834 -46.2239 -3.76586 -46.224 -44.1311 -29.8816 -3.76587 -29.8816 0.492068 GPRESSAVG: 4085200 52.8504 -45.1496 -3.08985 -47.4575 -43.6139 -30.9799 -2.58231 -30.057 0.786622 TIMING: 4085200 CPU: 13230.5, 0.00312497/step Wall: 13230.5, 0.00312497/step, 0.794089 hours remaining, 237.277344 MB of memory in use. ENERGY: 4085200 3968.2783 20536.1241 14377.1863 246.2824 -203314.0898 2664.3692 0.0000 0.0000 52063.3435 -109458.5060 299.2088 -161521.8495 -109089.6944 298.8631 -74.9358 -47.9497 763372.0563 3.4481 3.3410 PRESSURE: 4085400 -35.2362 -34.2776 -155.075 -34.278 -13.5088 51.9605 -155.075 51.9601 -323.231 GPRESSURE: 4085400 33.2425 11.5393 -189.842 10.458 30.6151 136.633 -98.114 -12.0969 -343.838 PRESSAVG: 4085400 -26.2289 -35.2874 -9.44408 -35.2874 28.4039 10.7569 -9.44413 10.7569 -0.620011 GPRESSAVG: 4085400 -26.0836 -35.3137 -9.47727 -34.7587 27.3849 12.8159 -7.68118 8.76039 -0.153548 TIMING: 4085400 CPU: 13231.1, 0.00314445/step Wall: 13231.1, 0.00314445/step, 0.798866 hours remaining, 237.277344 MB of memory in use. ENERGY: 4085400 4025.0050 20455.8216 14403.2085 254.9781 -203167.6616 2692.0715 0.0000 0.0000 51992.9309 -109343.6460 298.8041 -161336.5769 -108978.8864 298.7851 -123.9921 -93.3268 761506.5079 0.5183 0.3826 PRESSURE: 4085600 238.749 88.168 185.366 88.1683 -11.5706 -213.633 185.366 -213.632 747.594 GPRESSURE: 4085600 299.227 215.904 203.139 58.2252 25.6473 -198.997 85.3249 -198.635 740.099 PRESSAVG: 4085600 7.43944 -44.9634 -17.0708 -44.9634 10.3628 -12.233 -17.0709 -12.2329 5.15684 GPRESSAVG: 4085600 8.43473 -43.6291 -15.978 -44.0582 11.2902 -12.106 -17.95 -11.0766 3.63628 TIMING: 4085600 CPU: 13231.8, 0.00314496/step Wall: 13231.8, 0.00314496/step, 0.798821 hours remaining, 237.277344 MB of memory in use. ENERGY: 4085600 3900.1443 20564.0123 14374.6583 242.2267 -203335.6504 2797.6998 0.0000 0.0000 51994.2081 -109462.7009 298.8114 -161456.9090 -109101.9008 299.1260 324.9243 354.9911 760607.7689 7.6530 7.7871 PRESSURE: 4085800 464.225 130.653 -146.232 130.653 182.284 -22.8949 -146.231 -22.8942 18.8951 GPRESSURE: 4085800 358.619 75.3278 -184.408 83.3426 262.461 -48.2328 -142.551 54.6218 115.92 PRESSAVG: 4085800 -0.716905 -82.0078 22.8413 -82.0079 37.7119 -17.7971 22.8414 -17.7972 -26.4937 GPRESSAVG: 4085800 -0.316512 -82.6071 22.5719 -81.9803 36.5131 -18.1942 23.0554 -16.6688 -25.9209 TIMING: 4085800 CPU: 13232.4, 0.00311864/step Wall: 13232.4, 0.00311864/step, 0.791961 hours remaining, 237.277344 MB of memory in use. ENERGY: 4085800 3984.2745 20546.9338 14469.0948 273.7117 -203232.4046 2684.7675 0.0000 0.0000 51702.7931 -109570.8293 297.1367 -161273.6223 -109214.3624 298.1023 221.8014 245.6666 762440.6841 3.5005 3.4252 PRESSURE: 4086000 31.0809 -170.076 111.832 -170.076 -40.1703 124.564 111.833 124.564 -71.8764 GPRESSURE: 4086000 128.937 -169.074 175.152 -54.8026 5.986 119.629 62.3755 70.1851 -131.977 PRESSAVG: 4086000 36.0705 -29.7134 35.4777 -29.7134 -36.6889 -1.95926 35.4776 -1.95923 19.3472 GPRESSAVG: 4086000 34.0143 -29.2603 34.6885 -31.8474 -34.4829 -2.38816 35.7214 -1.39885 19.0796 TIMING: 4086000 CPU: 13233, 0.00315085/step Wall: 13233, 0.00315085/step, 0.799966 hours remaining, 237.277344 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: 4086000 3987.7039 20402.6393 14502.5085 258.8221 -202679.4405 2053.2509 0.0000 0.0000 51880.3957 -109594.1200 298.1573 -161474.5157 -109221.2992 298.7752 -26.9886 0.9820 761318.9080 6.2429 6.2037 PRESSURE: 4086200 -137.892 -117.199 -241.239 -117.199 -195.616 -36.2129 -241.239 -36.2124 -264.481 GPRESSURE: 4086200 -199.692 -82.9971 -234.35 -108.821 -138.79 -33.8785 -164.256 -6.69978 -191.926 PRESSAVG: 4086200 -81.605 -33.0787 24.1328 -33.0787 89.681 5.68273 24.1328 5.68276 3.14336 GPRESSAVG: 4086200 -80.9361 -32.962 23.6208 -32.7671 87.9038 5.07694 22.4064 2.8842 3.76329 TIMING: 4086200 CPU: 13233.7, 0.00317407/step Wall: 13233.7, 0.00317407/step, 0.805684 hours remaining, 237.277344 MB of memory in use. ENERGY: 4086200 3912.7691 20655.0812 14459.7788 257.2771 -203091.0210 2207.7342 0.0000 0.0000 51988.8709 -109609.5098 298.7808 -161598.3807 -109246.1923 298.8565 -199.3297 -176.8029 761462.2850 3.7398 3.5770 PRESSURE: 4086400 -418.267 -73.806 -112.767 -73.8059 -211.089 -87.7363 -112.768 -87.7373 -299.474 GPRESSURE: 4086400 -383.077 -45.0035 -126.09 -43.8967 -107.274 -89.4446 -235.176 -66.2938 -343.466 PRESSAVG: 4086400 29.0174 -46.9186 2.62772 -46.9186 -13.2212 7.99511 2.62773 7.99516 -3.97916 GPRESSAVG: 4086400 30.0011 -47.6773 3.19742 -44.9081 -13.2736 8.18754 2.50595 9.72647 -5.3463 TIMING: 4086400 CPU: 13234.3, 0.00313223/step Wall: 13234.3, 0.00313223/step, 0.794891 hours remaining, 237.277344 MB of memory in use. ENERGY: 4086400 4036.6712 20487.5825 14417.1790 251.0584 -202847.7932 2229.9476 0.0000 0.0000 51748.5553 -109676.7992 297.3997 -161425.3546 -109317.4588 298.9234 -309.6101 -277.9392 760925.5604 3.9390 3.7937 PRESSURE: 4086600 -53.6031 -109.124 -173.346 -109.123 -275.273 -123.772 -173.346 -123.772 -316.015 GPRESSURE: 4086600 -5.13276 -31.1575 -155.774 -74.9216 -248.582 -209.878 5.19196 32.6844 -311.44 PRESSAVG: 4086600 30.4254 -54.0087 -32.2415 -54.0087 -36.2666 -82.6368 -32.2415 -82.6369 -3.34188 GPRESSAVG: 4086600 29.4909 -53.1862 -32.5413 -55.3264 -35.7598 -82.7165 -30.4792 -82.1995 -2.79618 TIMING: 4086600 CPU: 13234.9, 0.00315449/step Wall: 13234.9, 0.00315449/step, 0.800363 hours remaining, 237.277344 MB of memory in use. ENERGY: 4086600 3946.8802 20510.4235 14407.7920 241.5358 -202946.8944 2364.2142 0.0000 0.0000 51803.4539 -109672.5949 297.7152 -161476.0488 -109314.2555 298.2362 -214.9636 -188.3850 762494.1522 -3.0610 -3.0217 PRESSURE: 4086800 22.7932 -72.252 -40.057 -72.2527 279.563 -208.306 -40.0571 -208.305 74.6159 GPRESSURE: 4086800 28.1214 -5.56067 -48.4648 -152.505 402.418 -182.394 -81.7295 -147.203 32.9958 PRESSAVG: 4086800 28.9037 -10.7178 -56.6434 -10.7179 -13.3998 -47.3612 -56.6433 -47.3612 22.3301 GPRESSAVG: 4086800 30.0432 -12.8412 -57.1668 -11.3734 -15.0772 -45.5712 -57.2384 -47.1256 22.5044 TIMING: 4086800 CPU: 13235.5, 0.00315662/step Wall: 13235.5, 0.00315662/step, 0.800728 hours remaining, 237.277344 MB of memory in use. ENERGY: 4086800 4015.3347 20375.6418 14468.5802 252.2433 -203276.1933 2741.9529 0.0000 0.0000 51865.0290 -109557.4113 298.0690 -161422.4403 -109193.3496 298.5579 125.6575 154.5118 762149.8134 12.6113 12.4901 PRESSURE: 4087000 29.273 -19.2614 46.132 -19.261 -123.552 -53.8171 46.1327 -53.8183 -153.715 GPRESSURE: 4087000 84.9606 11.2457 18.068 -3.75011 -135.685 -72.3533 -78.5979 -57.22 -107.508 PRESSAVG: 4087000 17.7198 -21.8685 -119.73 -21.8684 -52.1469 -31.0326 -119.73 -31.0327 24.4928 GPRESSAVG: 4087000 17.8181 -21.1293 -117.734 -20.8408 -50.9731 -33.0329 -121.378 -31.4873 23.3779 TIMING: 4087000 CPU: 13236.2, 0.00315511/step Wall: 13236.2, 0.00315511/step, 0.800172 hours remaining, 237.277344 MB of memory in use. ENERGY: 4087000 4005.9054 20463.2138 14397.5562 260.6541 -203790.5096 2953.3486 0.0000 0.0000 52113.4848 -109596.3466 299.4969 -161709.8314 -109229.9907 298.5182 -82.6648 -52.7440 761313.4962 -3.3114 -3.2590 PRESSURE: 4087200 173.017 -2.57336 -58.2561 -2.57375 7.61541 -22.2965 -58.2568 -22.2974 -84.1808 GPRESSURE: 4087200 184.677 -84.6089 -108.257 -53.2071 54.7628 -109.963 127.443 28.9979 -78.3485 PRESSAVG: 4087200 65.6172 -15.3526 -49.5904 -15.3526 -28.1996 -23.2861 -49.5905 -23.2861 -11.1159 GPRESSAVG: 4087200 64.9137 -15.9401 -51.1154 -16.1483 -28.1051 -23.6438 -48.7789 -23.6835 -10.3292 TIMING: 4087200 CPU: 13236.8, 0.00313231/step Wall: 13236.8, 0.00313231/step, 0.794214 hours remaining, 237.277344 MB of memory in use. ENERGY: 4087200 4104.1998 20440.5063 14401.9612 214.1726 -203926.6645 2818.6525 0.0000 0.0000 52219.3921 -109727.7799 300.1056 -161947.1720 -109357.9348 298.7214 32.1505 53.6972 759468.8814 8.7672 8.8265 PRESSURE: 4087400 -75.1111 91.6953 -27.1508 91.6952 -315.374 160.197 -27.1505 160.198 -222.528 GPRESSURE: 4087400 -51.0722 241.006 -78.3653 8.52439 -250.653 167.774 7.19711 134.049 -242.652 PRESSAVG: 4087400 -23.8816 -24.6031 10.361 -24.6032 18.4412 -35.216 10.361 -35.2161 -8.692 GPRESSAVG: 4087400 -25.2022 -21.2213 11.1774 -24.5238 19.2351 -35.5296 12.269 -33.9444 -8.34409 TIMING: 4087400 CPU: 13237.4, 0.00316158/step Wall: 13237.4, 0.00316158/step, 0.80146 hours remaining, 237.277344 MB of memory in use. ENERGY: 4087400 4026.9977 20630.0590 14519.7900 248.1490 -203214.2283 2777.0388 0.0000 0.0000 51779.7578 -109232.4361 297.5790 -161012.1939 -108889.4284 299.4551 -204.3377 -181.4590 763206.8452 -4.7108 -4.7704 PRESSURE: 4087600 -540.335 -190.909 -184.247 -190.908 -378.824 -134.296 -184.247 -134.297 -282.449 GPRESSURE: 4087600 -491.01 -139.541 -322.086 -175.049 -314.884 -101.335 -257.555 -304.011 -310.445 PRESSAVG: 4087600 18.9344 -19.0112 -23.4708 -19.0111 -0.9174 -15.8414 -23.4708 -15.8415 -9.22886 GPRESSAVG: 4087600 20.2478 -21.8807 -22.4801 -19.1684 -2.09636 -14.0167 -25.7232 -19.0432 -8.50705 TIMING: 4087600 CPU: 13238.1, 0.0031383/step Wall: 13238.1, 0.0031383/step, 0.795386 hours remaining, 237.277344 MB of memory in use. ENERGY: 4087600 4104.4043 20490.9260 14503.1598 237.2229 -202863.2214 2213.9724 0.0000 0.0000 52300.7697 -109012.7663 300.5732 -161313.5359 -108652.7989 299.4548 -400.5363 -372.1132 762969.0465 2.9294 3.2148 PRESSURE: 4087800 99.2575 -6.13081 -257.108 -6.131 -122.077 179.996 -257.109 179.996 -330.291 GPRESSURE: 4087800 132.876 -111.564 -232.519 -92.3308 -63.0271 193.597 -70.5428 225.899 -328.221 PRESSAVG: 4087800 -1.92735 -39.8015 -22.6544 -39.8015 17.6545 27.1542 -22.6544 27.1542 29.2688 GPRESSAVG: 4087800 -1.03177 -41.2366 -23.1798 -39.3939 19.2978 25.9118 -21.3729 28.956 26.8492 TIMING: 4087800 CPU: 13238.7, 0.0031613/step Wall: 13238.7, 0.0031613/step, 0.801038 hours remaining, 237.277344 MB of memory in use. ENERGY: 4087800 4016.5279 20393.4258 14513.9636 243.4128 -203275.0133 2788.0794 0.0000 0.0000 52006.1710 -109313.4327 298.8802 -161319.6038 -108952.6597 299.6811 -117.7038 -86.1239 763104.8511 14.9986 15.0384 PRESSURE: 4088000 -98.4063 -104.266 134.378 -104.266 -117.305 -117.118 134.378 -117.119 -278.2 GPRESSURE: 4088000 -49.6764 -106.021 142.175 -48.0082 -82.0087 -123.134 50.0749 8.58064 -276.23 PRESSAVG: 4088000 -42.0352 -31.8291 -48.4784 -31.8291 16.4466 5.19052 -48.4784 5.19048 -5.35344 GPRESSAVG: 4088000 -41.8632 -28.8026 -48.7917 -33.1085 14.9463 5.40378 -48.7805 5.74345 -3.87627 TIMING: 4088000 CPU: 13239.3, 0.00315035/step Wall: 13239.3, 0.00315035/step, 0.798088 hours remaining, 237.277344 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: 4088000 4023.0393 20455.1170 14441.0846 245.6599 -203151.5564 2530.2994 0.0000 0.0000 52195.4949 -109260.8613 299.9682 -161456.3563 -108898.8882 299.2469 -164.6370 -135.9716 762437.5613 -10.3140 -10.2644 PRESSURE: 4088200 246.024 -94.0084 105.371 -94.009 -51.6195 -29.2969 105.37 -29.2977 -375.324 GPRESSURE: 4088200 301.689 -26.6146 123.377 -169.956 -84.0221 -34.5868 137.334 95.1585 -314.888 PRESSAVG: 4088200 1.93185 23.8324 -20.1767 23.8324 25.2953 -31.9273 -20.1767 -31.9273 -17.9754 GPRESSAVG: 4088200 1.17728 25.2838 -21.4127 22.8776 25.7955 -34.0295 -17.6876 -32.3284 -17.1888 TIMING: 4088200 CPU: 13240, 0.00312824/step Wall: 13240, 0.00312824/step, 0.792313 hours remaining, 237.277344 MB of memory in use. ENERGY: 4088200 3963.0272 20552.4311 14436.9567 246.8608 -203395.1616 2715.9291 0.0000 0.0000 52091.4694 -109388.4872 299.3704 -161479.9566 -109029.7346 299.4120 -60.3066 -32.4070 762197.0475 3.0839 3.2613 LDB: ============= START OF LOAD BALANCING ============== 13252.4 LDB: ============== END OF LOAD BALANCING =============== 13252.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13252.4 LDB: ============= START OF LOAD BALANCING ============== 13252.7 LDB: Largest compute 7068 load 0.031003 is 15.9% of average load 0.195536 LDB: Average compute 0.004404 is 2.3% of average load 0.195536 LDB: TIME 13252.7 LOAD: AVG 0.195536 MAX 0.21531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 13252.7 LOAD: AVG 0.195536 MAX 0.21531 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: TIME 13252.7 LOAD: AVG 0.195536 MAX 0.21531 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: ============== END OF LOAD BALANCING =============== 13252.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13252.7 PRESSURE: 4088400 -383.398 31.8254 -139.776 31.8245 -110.172 243.607 -139.777 243.606 23.7737 GPRESSURE: 4088400 -306.777 -32.5514 -205.298 -3.35963 -109.811 155.804 -132.678 217.406 44.4058 PRESSAVG: 4088400 18.0376 -39.1879 -20.5846 -39.1879 6.12744 -29.9643 -20.5846 -29.9643 -12.8479 GPRESSAVG: 4088400 18.7584 -41.3696 -20.0857 -36.7631 5.89893 -27.9111 -22.6971 -31.1495 -13.0754 TIMING: 4088400 CPU: 13240.6, 0.00318735/step Wall: 13240.6, 0.00318735/step, 0.807108 hours remaining, 235.773438 MB of memory in use. ENERGY: 4088400 4038.0830 20327.1245 14398.8811 241.3690 -202622.9643 2308.2713 0.0000 0.0000 52069.1192 -109240.1163 299.2419 -161309.2355 -108874.4278 298.9436 -156.5988 -124.0609 760739.3917 3.7724 3.8606 PRESSURE: 4088600 156.882 190.363 14.0191 190.363 62.8042 90.4161 14.0188 90.4154 59.9566 GPRESSURE: 4088600 160.822 44.5104 -18.1711 86.7339 138.136 56.8268 13.4263 88.3845 64.833 PRESSAVG: 4088600 -19.8308 -36.1958 -40.103 -36.1957 37.1364 -2.65053 -40.103 -2.65048 -16.0842 GPRESSAVG: 4088600 -21.6987 -35.9711 -41.1421 -37.4179 39.6591 -2.47115 -41.0257 -3.02152 -16.1991 TIMING: 4088600 CPU: 13241.2, 0.0031676/step Wall: 13241.2, 0.0031676/step, 0.801931 hours remaining, 236.234375 MB of memory in use. ENERGY: 4088600 4019.1926 20451.8731 14442.3982 241.6736 -203251.1804 2473.4654 0.0000 0.0000 52303.1749 -109319.4025 300.5871 -161622.5774 -108959.5959 299.5559 93.2144 121.2634 761378.3196 0.4072 0.5871 PRESSURE: 4088800 -120.263 16.8914 268.558 16.8918 -92.2303 33.9321 268.557 33.933 -4.64093 GPRESSURE: 4088800 -100.699 84.9449 204.978 -17.2666 -74.8121 -34.7057 227.133 -130.269 46.2186 PRESSAVG: 4088800 23.4533 16.0139 -1.31358 16.0139 29.1009 0.057257 -1.31362 0.0572462 12.0486 GPRESSAVG: 4088800 25.3704 13.945 -0.941301 17.3203 27.5829 0.00738364 -1.3042 2.4107 12.0421 TIMING: 4088800 CPU: 13241.8, 0.00311886/step Wall: 13241.8, 0.00311886/step, 0.789419 hours remaining, 236.234375 MB of memory in use. ENERGY: 4088800 3981.0179 20542.8875 14428.2364 236.2752 -202813.9853 2426.6637 0.0000 0.0000 52194.1430 -109004.7616 299.9605 -161198.9046 -108638.4164 299.8284 -72.3782 -43.0974 761679.1228 21.5343 21.6651 PRESSURE: 4089000 -189.751 -135.152 -195.434 -135.153 -69.1008 301.351 -195.433 301.35 -309.988 GPRESSURE: 4089000 -225.203 -62.4362 -136.347 -49.8242 -34.7506 270.826 -266.275 168.001 -207.135 PRESSAVG: 4089000 -23.1285 -22.4542 -8.41129 -22.4542 -12.4651 5.96174 -8.41124 5.96175 -1.60031 GPRESSAVG: 4089000 -23.8188 -20.0191 -6.77898 -23.9739 -12.0337 6.73632 -7.91621 3.07267 -1.33944 TIMING: 4089000 CPU: 13242.5, 0.00310421/step Wall: 13242.5, 0.00310421/step, 0.785538 hours remaining, 236.234375 MB of memory in use. ENERGY: 4089000 3965.3154 20588.9246 14470.6661 262.6148 -203154.0339 2620.9029 0.0000 0.0000 52042.6440 -109202.9661 299.0898 -161245.6101 -108844.3078 299.8978 -189.6132 -155.6962 760789.2193 -12.3980 -12.3973 PRESSURE: 4089200 -35.2176 -4.50944 -97.5111 -4.50805 282.422 101.541 -97.5108 101.541 123.129 GPRESSURE: 4089200 97.2378 -73.3107 -70.7051 -5.16283 210.411 41.9566 -67.9844 134.188 150.15 PRESSAVG: 4089200 2.89691 -1.71939 29.2625 -1.71931 40.7497 22.8129 29.2626 22.813 2.44592 GPRESSAVG: 4089200 3.54243 -2.92486 27.7254 -2.05673 40.5637 22.7996 29.4457 22.1686 2.06774 TIMING: 4089200 CPU: 13243.1, 0.00311436/step Wall: 13243.1, 0.00311436/step, 0.787933 hours remaining, 236.234375 MB of memory in use. ENERGY: 4089200 4019.1874 20413.2833 14476.5247 248.0868 -203314.1012 2795.6439 0.0000 0.0000 51929.2700 -109432.1052 298.4382 -161361.3752 -109060.0014 299.4254 123.4447 152.5997 762373.6947 15.3642 15.3913 PRESSURE: 4089400 -96.1882 -177.334 102.781 -177.335 -521.117 -161.052 102.781 -161.052 -77.1049 GPRESSURE: 4089400 -52.0411 -152.379 161.108 -60.0942 -498.945 -126.935 -79.7552 -35.5771 -47.6248 PRESSAVG: 4089400 36.2903 -34.1463 -30.5499 -34.1463 -21.7357 -16.212 -30.5498 -16.212 7.18321 GPRESSAVG: 4089400 37.1953 -35.4527 -29.7995 -32.5502 -23.3112 -16.1365 -29.2202 -15.6708 7.68912 TIMING: 4089400 CPU: 13243.7, 0.00312995/step Wall: 13243.7, 0.00312995/step, 0.791704 hours remaining, 236.234375 MB of memory in use. ENERGY: 4089400 4058.4157 20467.3661 14507.8608 248.0578 -203251.1857 2619.0325 0.0000 0.0000 52054.1660 -109296.2869 299.1560 -161350.4528 -108929.7585 299.4109 -231.4701 -199.5370 762735.4226 7.2459 7.1910 PRESSURE: 4089600 19.9236 61.3449 -8.31718 61.345 -140.018 -35.2913 -8.31764 -35.2914 -383.867 GPRESSURE: 4089600 8.06492 26.3742 -72.0628 -69.6495 -115.202 -88.9459 -118.676 -92.6501 -316.482 PRESSAVG: 4089600 27.3974 -8.19124 -20.6385 -8.19127 -47.229 -37.3289 -20.6385 -37.3289 -2.87335 GPRESSAVG: 4089600 25.0131 -8.0834 -18.347 -8.61605 -45.7114 -37.9697 -24.7649 -36.4158 -1.89578 TIMING: 4089600 CPU: 13244.3, 0.00311918/step Wall: 13244.3, 0.00311918/step, 0.788805 hours remaining, 236.234375 MB of memory in use. ENERGY: 4089600 4020.4370 20555.6608 14501.0911 249.9318 -203105.6636 2220.2773 0.0000 0.0000 52193.6297 -109364.6358 299.9575 -161558.2655 -108999.5255 299.1768 -167.9873 -141.2065 762120.8390 -7.5683 -7.5314 PRESSURE: 4089800 46.6778 115.808 7.03962 115.808 -313.618 169.237 7.03904 169.237 -303.148 GPRESSURE: 4089800 18.2912 182.348 10.2844 123.488 -262.533 197.389 -27.1953 125.658 -244.177 PRESSAVG: 4089800 23.6979 -43.4008 8.93333 -43.4008 -53.7351 -26.4374 8.93332 -26.4374 5.97518 GPRESSAVG: 4089800 24.6337 -44.0902 6.67533 -40.4399 -53.9053 -27.1984 10.6973 -26.1467 5.29479 TIMING: 4089800 CPU: 13245, 0.00311732/step Wall: 13245, 0.00311732/step, 0.788161 hours remaining, 236.234375 MB of memory in use. ENERGY: 4089800 4058.5225 20481.4241 14462.9263 237.8100 -203164.7063 2323.9871 0.0000 0.0000 52272.7862 -109327.2501 300.4124 -161600.0363 -108961.0812 299.6371 -190.0294 -162.8065 761755.9547 -8.0207 -7.9923 PRESSURE: 4090000 -216.134 -265.569 59.8333 -265.569 -16.834 38.3962 59.8336 38.3964 149.937 GPRESSURE: 4090000 -171.831 -149.708 172.822 -269.846 -2.92817 73.8573 27.0333 -60.2327 157.59 PRESSAVG: 4090000 15.1337 -1.68493 -31.5413 -1.68488 -42.1944 -4.13041 -31.5413 -4.13043 35.196 GPRESSAVG: 4090000 15.6215 -0.433776 -32.6977 -2.81541 -42.2656 -3.12356 -30.3351 -4.77152 34.472 TIMING: 4090000 CPU: 13245.6, 0.0031271/step Wall: 13245.6, 0.0031271/step, 0.790462 hours remaining, 236.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4090000 4046.2826 20718.4864 14378.9865 245.7099 -203132.6128 2514.6219 0.0000 0.0000 51747.8310 -109480.6946 297.3955 -161228.5256 -109127.6264 299.0300 -27.6771 -5.7232 761524.1823 2.7118 2.6093 PRESSURE: 4090200 -88.5204 141.973 257.736 141.973 183.253 78.638 257.735 78.6377 293.276 GPRESSURE: 4090200 52.9016 111.161 313.822 -8.61205 157.759 135.637 114.495 131.449 257.988 PRESSAVG: 4090200 -15.5271 -65.413 38.4892 -65.413 14.5792 11.655 38.4891 11.6551 0.580949 GPRESSAVG: 4090200 -15.2814 -66.3716 40.5218 -66.3557 14.6682 10.2768 37.2526 14.3594 0.824866 TIMING: 4090200 CPU: 13246.2, 0.0031239/step Wall: 13246.2, 0.0031239/step, 0.789479 hours remaining, 236.234375 MB of memory in use. ENERGY: 4090200 3987.9029 20565.4585 14417.4875 254.0950 -203148.8471 2338.8001 0.0000 0.0000 51937.9864 -109647.1167 298.4883 -161585.1031 -109287.8968 299.3360 129.3362 156.2164 759134.1171 -0.1223 0.0706 PRESSURE: 4090400 -44.826 -76.0316 140.128 -76.0312 270.268 -14.6404 140.128 -14.6406 -480.611 GPRESSURE: 4090400 -5.83349 -92.5655 116.704 -46.1797 246.238 -40.7723 44.9639 22.8283 -403.937 PRESSAVG: 4090400 -5.81403 -13.8507 -29.2627 -13.8507 45.2044 65.9176 -29.2628 65.9176 7.74944 GPRESSAVG: 4090400 -5.13885 -14.4086 -29.8198 -14.9503 44.2452 67.0776 -28.3197 63.0755 7.79361 TIMING: 4090400 CPU: 13246.8, 0.00311531/step Wall: 13246.8, 0.00311531/step, 0.787134 hours remaining, 236.234375 MB of memory in use. ENERGY: 4090400 3955.2233 20598.8791 14386.0423 261.6186 -203419.1588 2523.7894 0.0000 0.0000 52070.3193 -109623.2868 299.2488 -161693.6061 -109268.7167 299.0855 -85.0564 -54.5108 761496.5591 15.7133 15.6333 PRESSURE: 4090600 -87.3215 -319.388 45.0795 -319.388 214.825 4.02217 45.0793 4.02183 269.09 GPRESSURE: 4090600 -9.1506 -218.722 65.7937 -232.073 138.233 79.0704 82.7323 -82.8484 341.424 PRESSAVG: 4090600 -69.7823 -14.1985 53.1337 -14.1984 7.99988 87.7979 53.1337 87.7979 3.76564 GPRESSAVG: 4090600 -70.5185 -14.3793 52.3193 -13.1429 8.66247 88.9198 54.3406 86.3236 3.70128 TIMING: 4090600 CPU: 13247.5, 0.00312339/step Wall: 13247.5, 0.00312339/step, 0.789004 hours remaining, 236.234375 MB of memory in use. ENERGY: 4090600 3995.1075 20472.1288 14438.3935 225.8962 -203497.1426 2645.2086 0.0000 0.0000 52061.6911 -109658.7169 299.1993 -161720.4080 -109301.6959 298.5532 132.1977 156.8353 760219.7558 -19.3389 -19.3849 PRESSURE: 4090800 -115.436 67.9115 -4.69006 67.912 -561.372 -41.8048 -4.69025 -41.8052 -33.2826 GPRESSURE: 4090800 -79.9767 -8.27923 -65.2716 123.246 -486.609 -137.842 14.7797 24.0774 -67.7489 PRESSAVG: 4090800 -9.74066 -80.7697 49.8163 -80.7697 -28.8032 33.0126 49.8162 33.0127 1.33163 GPRESSAVG: 4090800 -8.36537 -80.7852 49.3684 -81.5918 -29.6335 32.6426 49.3719 35.2938 1.34489 TIMING: 4090800 CPU: 13248.1, 0.00312556/step Wall: 13248.1, 0.00312556/step, 0.789377 hours remaining, 236.234375 MB of memory in use. ENERGY: 4090800 3995.4441 20456.1492 14461.2121 240.0544 -203052.8659 2313.4495 0.0000 0.0000 51979.4312 -109607.1252 298.7265 -161586.5564 -109243.2338 299.2757 -236.6968 -211.4449 761418.5349 -12.4041 -12.2180 PRESSURE: 4091000 22.3168 125.98 50.9328 125.98 -160.394 72.266 50.9328 72.267 -51.0601 GPRESSURE: 4091000 43.6917 10.9005 90.4384 2.86584 -116.837 0.3621 89.8765 -9.39081 -1.83248 PRESSAVG: 4091000 34.7867 -55.8677 -20.0007 -55.8677 -1.55926 -13.0639 -20.0007 -13.0638 4.63358 GPRESSAVG: 4091000 34.0336 -56.7336 -19.415 -53.9364 -1.16775 -15.0735 -20.2877 -13.5366 5.2664 TIMING: 4091000 CPU: 13248.7, 0.00310967/step Wall: 13248.7, 0.00310967/step, 0.785192 hours remaining, 236.234375 MB of memory in use. ENERGY: 4091000 4004.6834 20482.1231 14442.5840 253.1484 -203289.9910 2634.9275 0.0000 0.0000 51927.6800 -109544.8446 298.4291 -161472.5246 -109180.3874 298.7155 -63.0456 -24.9925 761431.0643 12.6203 12.7108 PRESSURE: 4091200 9.28517 -50.1231 140.046 -50.122 45.1851 62.1142 140.047 62.1141 -189.164 GPRESSURE: 4091200 -15.9302 -11.2363 148.33 -107.664 143.556 78.7675 111.604 109.079 -160.044 PRESSAVG: 4091200 -30.7017 -39.1164 4.60186 -39.1164 15.1196 52.123 4.60185 52.1231 13.4598 GPRESSAVG: 4091200 -31.8963 -39.3057 4.33471 -40.8276 15.2808 53.7716 5.80224 51.681 13.8505 TIMING: 4091200 CPU: 13249.3, 0.00310033/step Wall: 13249.3, 0.00310033/step, 0.782661 hours remaining, 236.234375 MB of memory in use. ENERGY: 4091200 3990.9294 20526.0227 14444.7017 249.6129 -203545.6837 2764.9565 0.0000 0.0000 52042.1111 -109527.3494 299.0867 -161569.4605 -109170.7429 298.8943 -44.8980 -10.8060 761075.5395 -0.7074 -0.9216 PRESSURE: 4091400 174.122 65.6103 212.313 65.6102 91.4249 -69.8948 212.312 -69.8955 -12.4831 GPRESSURE: 4091400 107.325 51.04 208.233 67.0426 164.502 -34.2882 169.322 -109.6 46.8091 PRESSAVG: 4091400 -45.5185 -101.762 -14.2433 -101.762 13.4943 11.9002 -14.2432 11.9003 -37.8992 GPRESSAVG: 4091400 -44.7348 -99.5893 -12.6851 -103.137 12.4526 10.7494 -16.7788 14.6435 -38.0113 TIMING: 4091400 CPU: 13250, 0.00312059/step Wall: 13250, 0.00312059/step, 0.787603 hours remaining, 236.234375 MB of memory in use. ENERGY: 4091400 4005.3259 20528.2058 14383.9856 224.0142 -203565.0245 2705.0025 0.0000 0.0000 52093.7972 -109624.6933 299.3838 -161718.4905 -109259.8459 299.0711 84.3547 106.2120 760845.4507 -23.3078 -23.4312 PRESSURE: 4091600 -48.6149 -14.5635 -173.81 -14.562 240.852 -111.644 -173.811 -111.645 41.0977 GPRESSURE: 4091600 -25.8877 76.4607 -170.477 -9.5161 290.743 -17.2309 -188.291 -115.834 58.3816 PRESSAVG: 4091600 -5.80354 -45.5635 -23.0387 -45.5634 23.9567 72.6853 -23.0387 72.6854 11.2831 GPRESSAVG: 4091600 -5.61432 -47.1345 -24.3387 -44.7172 25.0693 73.0826 -19.9331 71.1949 10.5304 TIMING: 4091600 CPU: 13250.6, 0.00310789/step Wall: 13250.6, 0.00310789/step, 0.784225 hours remaining, 236.234375 MB of memory in use. ENERGY: 4091600 3992.4536 20550.4283 14443.3815 244.2065 -203255.4013 2536.4512 0.0000 0.0000 51851.6895 -109636.7907 297.9924 -161488.4802 -109279.4525 299.4563 77.7784 107.7458 761042.7967 9.8121 9.9951 PRESSURE: 4091800 -30.2811 -189.824 -22.917 -189.824 -40.2937 253.597 -22.9179 253.596 172.859 GPRESSURE: 4091800 92.5435 -219.258 -78.871 -21.3906 -54.4067 147.613 -50.5213 388.173 148.744 PRESSAVG: 4091800 -4.07962 19.8935 30.2561 19.8936 15.2969 46.3532 30.256 46.3532 8.22732 GPRESSAVG: 4091800 -4.4855 19.9253 30.8244 19.7368 15.079 46.9644 30.2333 47.9245 8.96884 TIMING: 4091800 CPU: 13251.2, 0.00310383/step Wall: 13251.2, 0.00310383/step, 0.783027 hours remaining, 236.234375 MB of memory in use. ENERGY: 4091800 3970.3343 20599.7541 14471.6288 227.6010 -203259.0347 2290.6221 0.0000 0.0000 51945.3003 -109753.7943 298.5304 -161699.0945 -109389.0948 298.7552 34.0948 62.2937 757702.7599 6.4815 6.5208 PRESSURE: 4092000 -146.259 -154.429 1.95605 -154.429 -31.0681 -7.98616 1.95673 -7.98686 318.522 GPRESSURE: 4092000 -115.413 -93.074 -61.4074 -206.026 10.4367 82.9761 -63.0482 -8.74143 335.415 PRESSAVG: 4092000 -4.21758 -20.933 8.61438 -20.9329 22.0406 39.5041 8.6143 39.504 -4.33073 GPRESSAVG: 4092000 -4.46448 -21.3406 7.75696 -21.4045 21.8866 41.1815 5.72835 36.9754 -4.29066 TIMING: 4092000 CPU: 13251.8, 0.00308563/step Wall: 13251.8, 0.00308563/step, 0.778265 hours remaining, 236.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4092000 3966.4700 20660.5077 14451.3984 239.6753 -203849.8859 2725.7576 0.0000 0.0000 51946.9226 -109859.1543 298.5397 -161806.0769 -109511.4683 298.8150 47.0652 76.8129 758846.6444 4.4974 4.3772 PRESSURE: 4092200 -282.763 -83.619 0.820071 -83.619 176.025 -67.9166 0.81967 -67.9163 -298.214 GPRESSURE: 4092200 -304.657 -136.698 10.8037 -122.105 205.115 -115.55 118.013 -115.949 -221.329 PRESSAVG: 4092200 29.2364 -23.8765 -0.80373 -23.8765 -7.31191 53.8125 -0.803663 53.8125 28.1077 GPRESSAVG: 4092200 30.3801 -21.2287 -1.25913 -23.7757 -6.94117 52.9873 -0.175832 53.2318 26.9363 TIMING: 4092200 CPU: 13252.4, 0.0031029/step Wall: 13252.4, 0.0031029/step, 0.782447 hours remaining, 236.234375 MB of memory in use. ENERGY: 4092200 4042.8893 20541.9910 14476.2002 258.7871 -203536.4707 2603.7983 0.0000 0.0000 51801.3340 -109811.4708 297.7030 -161612.8049 -109446.3869 298.5558 -134.9840 -106.9566 759659.5871 16.6774 16.7917 LDB: ============= START OF LOAD BALANCING ============== 13264.9 LDB: ============== END OF LOAD BALANCING =============== 13264.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13264.9 LDB: ============= START OF LOAD BALANCING ============== 13265.2 LDB: Largest compute 7055 load 0.032558 is 16.6% of average load 0.195606 LDB: Average compute 0.004388 is 2.2% of average load 0.195606 LDB: TIME 13265.2 LOAD: AVG 0.195606 MAX 0.21618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 13265.2 LOAD: AVG 0.195606 MAX 0.21618 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: TIME 13265.2 LOAD: AVG 0.195606 MAX 0.21618 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: ============== END OF LOAD BALANCING =============== 13265.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13265.2 PRESSURE: 4092400 287.37 134.157 -41.7809 134.157 -212.666 -194.376 -41.7801 -194.376 20.0378 GPRESSURE: 4092400 286.5 110.053 -114.906 179.292 -157.316 -183.874 -11.7633 -179.591 59.8883 PRESSAVG: 4092400 16.9359 -22.4744 58.5269 -22.4744 28.6098 17.1438 58.5269 17.1439 13.8357 GPRESSAVG: 4092400 14.5352 -23.877 59.6941 -22.5437 29.0624 17.1064 57.7021 18.428 15.7177 TIMING: 4092400 CPU: 13253.1, 0.0031877/step Wall: 13253.1, 0.0031877/step, 0.803654 hours remaining, 234.882812 MB of memory in use. ENERGY: 4092400 4026.3644 20728.5458 14382.8066 249.5213 -203366.5539 2437.9227 0.0000 0.0000 51850.4637 -109690.9294 297.9853 -161541.3931 -109334.7498 298.5859 31.5803 63.0244 759777.5670 19.7938 19.7718 PRESSURE: 4092600 -199.009 -43.8469 25.7392 -43.8477 127.278 24.5096 25.7392 24.5086 -75.5293 GPRESSURE: 4092600 -153.199 -25.609 47.8257 -77.4013 91.2936 128.452 19.5959 -27.4368 -10.2426 PRESSAVG: 4092600 25.3346 -37.7451 -32.6914 -37.7451 -33.0071 6.28022 -32.6914 6.28013 9.56085 GPRESSAVG: 4092600 26.4559 -37.6002 -33.4603 -37.2389 -33.696 4.92174 -30.0372 7.15689 8.82617 TIMING: 4092600 CPU: 13253.7, 0.00311782/step Wall: 13253.7, 0.00311782/step, 0.785864 hours remaining, 235.085938 MB of memory in use. ENERGY: 4092600 4012.7694 20596.5063 14354.3658 259.4204 -203427.5389 2477.6164 0.0000 0.0000 52143.9162 -109582.9445 299.6718 -161726.8606 -109215.9456 299.2742 -49.0868 -24.0494 761593.6640 0.6294 0.5287 PRESSURE: 4092800 -122.552 -13.1939 -257.94 -13.1932 129.898 50.6507 -257.94 50.6516 117.453 GPRESSURE: 4092800 -231.094 -82.4492 -108.093 -56.8706 241.057 77.8645 -299.194 57.0975 212.727 PRESSAVG: 4092800 40.2267 -2.97817 3.56097 -2.97819 -42.1816 34.264 3.56102 34.264 -12.0279 GPRESSAVG: 4092800 41.0565 -4.36543 4.16328 -4.25354 -42.4241 35.3382 3.05897 33.2706 -12.7762 TIMING: 4092800 CPU: 13254.3, 0.00313235/step Wall: 13254.3, 0.00313235/step, 0.789353 hours remaining, 235.085938 MB of memory in use. ENERGY: 4092800 3931.7349 20778.0433 14471.1655 260.8555 -203025.1861 2300.7267 0.0000 0.0000 51782.3711 -109500.2891 297.5940 -161282.6603 -109146.5361 299.7011 41.6000 74.2296 761485.9756 -4.6609 -4.7146 PRESSURE: 4093000 -284.791 -15.8924 -83.4703 -15.8917 -159.774 -193.442 -83.4707 -193.441 -547.52 GPRESSURE: 4093000 -281.94 55.111 -104.704 -46.3095 -105.675 -168.193 -58.5228 -126.305 -498.476 PRESSAVG: 4093000 -13.9903 -10.749 12.3143 -10.7491 -21.6429 74.5254 12.3143 74.5254 -24.2985 GPRESSAVG: 4093000 -14.437 -11.7791 11.8219 -8.64859 -22.0787 73.9687 13.2727 72.6292 -23.2135 TIMING: 4093000 CPU: 13254.9, 0.00312056/step Wall: 13254.9, 0.00312056/step, 0.786207 hours remaining, 235.085938 MB of memory in use. ENERGY: 4093000 3958.0707 20671.3612 14444.5142 243.7616 -202755.1500 2066.9571 0.0000 0.0000 52116.4826 -109254.0025 299.5141 -161370.4852 -108891.6813 299.4993 -330.6950 -295.3638 761448.2153 -19.9772 -19.9097 PRESSURE: 4093200 105.038 -147.78 170.954 -147.78 83.6281 -72.2981 170.954 -72.2983 345.737 GPRESSURE: 4093200 130.006 -286.263 198.359 -140.398 204.806 70.3802 208.839 -58.8493 289.183 PRESSAVG: 4093200 4.33681 15.7399 -1.41687 15.7399 -4.35533 -10.0813 -1.41691 -10.0813 -8.74991 GPRESSAVG: 4093200 4.25872 16.1542 -0.553761 14.2457 -3.73771 -8.35221 -2.13694 -7.34297 -9.05864 TIMING: 4093200 CPU: 13255.6, 0.00312611/step Wall: 13255.6, 0.00312611/step, 0.787432 hours remaining, 235.085938 MB of memory in use. ENERGY: 4093200 4007.5074 20502.6260 14498.3803 268.7550 -203922.1307 2878.4438 0.0000 0.0000 52346.6802 -109419.7381 300.8371 -161766.4183 -109052.0407 299.7202 178.1344 207.9980 760383.0492 -2.9228 -2.8459 PRESSURE: 4093400 97.4407 -121.138 281.212 -121.139 38.4771 162.997 281.211 162.997 37.5329 GPRESSURE: 4093400 105.853 -128.781 289.991 -78.9067 32.4271 109.5 325.607 254.06 107.929 PRESSAVG: 4093400 -11.2063 28.7745 58.4305 28.7745 3.93815 24.616 58.4305 24.616 3.85655 GPRESSAVG: 4093400 -11.6094 27.7872 57.9471 29.5488 3.68403 23.8526 58.5601 25.6355 4.41978 TIMING: 4093400 CPU: 13256.2, 0.00314777/step Wall: 13256.2, 0.00314777/step, 0.792712 hours remaining, 235.285156 MB of memory in use. ENERGY: 4093400 3998.4397 20534.6002 14523.6951 243.5158 -203280.6835 2432.9923 0.0000 0.0000 52146.3769 -109401.0635 299.6859 -161547.4404 -109037.0296 299.7684 57.8169 82.0696 760551.0593 -1.1372 -1.1685 PRESSURE: 4093600 35.5166 -221.189 -251.488 -221.19 1.64451 163.385 -251.488 163.385 59.2056 GPRESSURE: 4093600 167.034 -199.16 -338.141 -240.127 -19.0493 115.721 -200.089 135.956 46.9667 PRESSAVG: 4093600 44.7382 -4.55222 10.0437 -4.55214 -18.2952 30.7842 10.0438 30.7843 9.96395 GPRESSAVG: 4093600 45.007 -4.03343 10.5609 -5.12277 -18.1946 29.4686 9.38328 30.7656 9.64229 TIMING: 4093600 CPU: 13256.8, 0.00311993/step Wall: 13256.8, 0.00311993/step, 0.78553 hours remaining, 235.285156 MB of memory in use. ENERGY: 4093600 4042.7801 20624.0122 14382.7288 261.3470 -203120.3985 2635.9056 0.0000 0.0000 51950.1062 -109223.5187 298.5580 -161173.6249 -108858.6504 299.7812 32.1223 64.9839 761581.6845 12.1357 12.1516 PRESSURE: 4093800 437.997 -6.73943 241.051 -6.73935 205.929 289.582 241.051 289.582 251.103 GPRESSURE: 4093800 549.9 -54.9605 283.689 -26.0021 157.858 225.795 126.797 288.55 266.498 PRESSAVG: 4093800 20.9508 -5.64169 40.4942 -5.64161 -0.0521801 -17.9869 40.4942 -17.9869 -27.6994 GPRESSAVG: 4093800 21.3335 -5.5697 41.3046 -4.00873 -0.670343 -15.6902 40.4612 -19.8406 -27.6899 TIMING: 4093800 CPU: 13257.4, 0.0031317/step Wall: 13257.4, 0.0031317/step, 0.78832 hours remaining, 235.285156 MB of memory in use. ENERGY: 4093800 4019.0298 20485.7426 14498.2339 245.5195 -203513.6675 2844.8772 0.0000 0.0000 52146.8537 -109273.4109 299.6887 -161420.2646 -108915.2014 299.2881 298.3431 324.7522 761474.9226 -2.2669 -2.3422 PRESSURE: 4094000 87.4459 -15.496 266.631 -15.4961 -12.0686 -121.357 266.631 -121.356 -133.719 GPRESSURE: 4094000 123.526 6.75586 248.857 -106.521 23.7309 -163.391 236.185 -57.9331 -121.971 PRESSAVG: 4094000 8.82069 -70.8423 42.4803 -70.8423 32.1908 -34.1886 42.4804 -34.1885 3.56497 GPRESSAVG: 4094000 7.77314 -70.8484 41.5258 -71.4537 32.8267 -34.1774 42.7606 -32.3302 3.3286 TIMING: 4094000 CPU: 13258.1, 0.00311981/step Wall: 13258.1, 0.00311981/step, 0.785153 hours remaining, 235.285156 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: 4094000 4075.6372 20547.7383 14502.2043 232.0251 -203785.8524 2925.3800 0.0000 0.0000 52294.5564 -109208.3111 300.5375 -161502.8675 -108845.8345 299.4560 -19.4474 8.4284 760697.5322 14.8588 14.6428 PRESSURE: 4094200 -155.262 50.9708 128.99 50.9708 -376.705 121.216 128.99 121.215 283.453 GPRESSURE: 4094200 -91.2307 125.798 149.454 70.6625 -295.034 130.628 173.491 68.554 217.073 PRESSAVG: 4094200 -43.878 -35.9296 23.121 -35.9296 32.5753 -7.63246 23.121 -7.63248 -11.0679 GPRESSAVG: 4094200 -41.5889 -34.3992 20.9228 -37.856 31.6642 -9.2128 24.5727 -5.829 -11.9391 TIMING: 4094200 CPU: 13258.7, 0.00311756/step Wall: 13258.7, 0.00311756/step, 0.784412 hours remaining, 235.285156 MB of memory in use. ENERGY: 4094200 3910.0809 20622.9807 14579.3532 234.3356 -203157.8214 2353.8876 0.0000 0.0000 52245.9937 -109211.1897 300.2584 -161457.1834 -108839.7984 299.4032 -82.8378 -56.3971 762953.3621 -7.4569 -7.2879 PRESSURE: 4094400 -136.392 -283.468 -227.725 -283.469 -31.1707 19.085 -227.725 19.0849 -419.215 GPRESSURE: 4094400 -78.4143 -167.114 -105.256 -166.201 -50.7627 -12.4694 -225.542 -47.4995 -350.195 PRESSAVG: 4094400 12.0532 -25.8604 41.565 -25.8604 13.828 -8.47944 41.565 -8.47945 35.5521 GPRESSAVG: 4094400 11.2561 -25.0014 44.1176 -24.2697 14.2534 -7.05658 40.886 -9.63456 35.8855 TIMING: 4094400 CPU: 13259.3, 0.00310831/step Wall: 13259.3, 0.00310831/step, 0.781911 hours remaining, 235.285156 MB of memory in use. ENERGY: 4094400 3984.0519 20631.2479 14477.0709 229.7679 -203547.6748 2643.7106 0.0000 0.0000 52345.9174 -109235.9083 300.8327 -161581.8257 -108872.3277 300.1791 -195.5926 -159.7907 760743.6717 20.4778 20.4650 PRESSURE: 4094600 -208.228 98.9707 34.1162 98.9703 -158.315 -76.3571 34.1161 -76.3575 -76.7796 GPRESSURE: 4094600 -212.342 118.639 -4.5712 67.6807 -116.279 -21.2763 120.819 -69.0339 -16.7473 PRESSAVG: 4094600 -31.6813 -26.1025 36.6684 -26.1024 7.75253 -10.5097 36.6684 -10.5097 -19.5536 GPRESSAVG: 4094600 -30.9273 -25.9714 34.4541 -28.9283 7.16485 -9.93911 37.5158 -10.979 -20.2406 TIMING: 4094600 CPU: 13259.9, 0.00310501/step Wall: 13259.9, 0.00310501/step, 0.780909 hours remaining, 235.285156 MB of memory in use. ENERGY: 4094600 4104.6078 20574.6821 14458.1825 254.5511 -203338.2990 2444.3186 0.0000 0.0000 52305.7498 -109196.2071 300.6019 -161501.9569 -108829.3492 300.1765 -147.7741 -115.1229 761842.3443 -14.4941 -14.6677 PRESSURE: 4094800 -386.85 113.669 68.7733 113.67 -131.645 204.643 68.7726 204.643 -179.673 GPRESSURE: 4094800 -264.533 106.261 80.3482 69.6948 -167.848 213.177 -27.1702 170.082 -198.273 PRESSAVG: 4094800 -41.2261 -42.3329 -69.0358 -42.3328 -5.3216 13.2789 -69.0358 13.2789 -0.767677 GPRESSAVG: 4094800 -41.6543 -41.981 -67.0069 -40.0403 -5.12539 13.0172 -69.2816 14.0641 -0.294232 TIMING: 4094800 CPU: 13260.6, 0.00310974/step Wall: 13260.6, 0.00310974/step, 0.781926 hours remaining, 235.285156 MB of memory in use. ENERGY: 4094800 3989.8056 20607.4035 14452.2550 246.4653 -202883.0271 2288.1510 0.0000 0.0000 52111.1069 -109187.8399 299.4832 -161298.9468 -108814.5230 299.7184 -232.7225 -210.2182 763841.0901 -15.7718 -15.6913 PRESSURE: 4095000 7.23923 67.0405 -86.1622 67.0403 -241.009 43.2096 -86.1632 43.2092 -320.022 GPRESSURE: 4095000 -83.8088 -15.4541 -92.8129 78.6909 -135.903 87.3272 -145.348 79.1918 -274.938 PRESSAVG: 4095000 -19.7495 -11.4612 -29.8297 -11.4613 36.8963 28.285 -29.8298 28.285 27.1477 GPRESSAVG: 4095000 -19.0177 -11.4109 -29.2094 -11.6131 37.356 26.8882 -31.0128 28.1294 25.8054 TIMING: 4095000 CPU: 13261.2, 0.00310882/step Wall: 13261.2, 0.00310882/step, 0.781522 hours remaining, 235.285156 MB of memory in use. ENERGY: 4095000 4024.6107 20543.7344 14560.2756 255.9690 -203202.9522 2406.0895 0.0000 0.0000 51909.7406 -109502.5325 298.3260 -161412.2730 -109133.2402 298.9052 -184.5971 -164.8834 762249.1784 14.7649 14.7146 PRESSURE: 4095200 -71.1979 -82.5443 96.9672 -82.5442 -176.709 -222.728 96.9666 -222.727 -580.632 GPRESSURE: 4095200 -43.0278 49.7556 43.9155 -145.065 -165.617 -211.36 103.677 -132.639 -525.436 PRESSAVG: 4095200 -13.5009 -33.1589 17.4137 -33.1588 8.88422 7.95201 17.4137 7.95195 -8.4571 GPRESSAVG: 4095200 -14.8177 -34.7346 15.3104 -33.0322 8.73344 8.99414 18.3265 9.7541 -7.30727 TIMING: 4095200 CPU: 13261.8, 0.00310752/step Wall: 13261.8, 0.00310752/step, 0.781023 hours remaining, 235.285156 MB of memory in use. ENERGY: 4095200 3960.4055 20376.7653 14475.9621 242.9946 -203252.1955 2280.4828 0.0000 0.0000 52104.7960 -109810.7892 299.4470 -161915.5852 -109445.5824 298.1585 -276.1798 -244.6935 760949.6962 -4.3579 -4.4638 PRESSURE: 4095400 -382.969 -46.8865 -190.036 -46.8863 -77.1644 -77.5618 -190.036 -77.5604 -69.7442 GPRESSURE: 4095400 -284.246 57.9696 -121.353 -30.7099 -139.394 -87.0772 -200.881 -80.1101 -11.0142 PRESSAVG: 4095400 -26.7211 3.11214 -23.0665 3.11211 22.9708 54.1922 -23.0665 54.1923 -19.0638 GPRESSAVG: 4095400 -25.8057 3.62933 -22.0723 2.6249 22.4178 52.6626 -23.8327 50.8025 -19.354 TIMING: 4095400 CPU: 13262.4, 0.0031025/step Wall: 13262.4, 0.0031025/step, 0.779588 hours remaining, 235.285156 MB of memory in use. ENERGY: 4095400 4056.2104 20368.1299 14553.2211 241.2196 -202885.0201 2141.2735 0.0000 0.0000 51844.2995 -109680.6661 297.9499 -161524.9656 -109318.4304 298.5144 -176.6260 -144.8846 758659.0431 -7.6047 -7.5806 PRESSURE: 4095600 101.482 -210.066 -286.578 -210.067 -190.321 -0.280808 -286.578 -0.278305 -129.11 GPRESSURE: 4095600 127.884 -144.7 -346.817 -176.769 -148.507 74.3732 -175.667 3.05149 -125.476 PRESSAVG: 4095600 12.6629 -13.981 13.0322 -13.981 -45.3601 -10.2609 13.0322 -10.2609 22.6042 GPRESSAVG: 4095600 12.6111 -11.4229 11.8799 -15.7602 -45.9406 -8.12212 12.8318 -10.4586 22.7317 TIMING: 4095600 CPU: 13263, 0.00310591/step Wall: 13263, 0.00310591/step, 0.780274 hours remaining, 235.285156 MB of memory in use. ENERGY: 4095600 4057.6270 20450.9456 14430.1715 233.9626 -203528.5459 2570.0011 0.0000 0.0000 51938.3464 -109847.4917 298.4904 -161785.8381 -109487.1595 298.3792 -72.6498 -48.6996 758805.3330 -3.3643 -3.5326 PRESSURE: 4095800 429.076 28.2231 -23.4662 28.2223 207.768 -9.68894 -23.4663 -9.68956 313.044 GPRESSURE: 4095800 423.071 61.6164 92.8971 -18.2213 188.415 56.5887 -81.2572 3.75607 444.374 PRESSAVG: 4095800 38.8346 -40.4908 20.8525 -40.4908 -44.4517 38.6403 20.8524 38.6404 27.9099 GPRESSAVG: 4095800 37.4816 -44.1753 23.1377 -38.7472 -43.2135 37.2568 19.5616 40.8272 28.2744 TIMING: 4095800 CPU: 13263.7, 0.00310569/step Wall: 13263.7, 0.00310569/step, 0.780045 hours remaining, 235.285156 MB of memory in use. ENERGY: 4095800 3999.7505 20405.5093 14480.7752 250.5409 -203809.9805 2897.4062 0.0000 0.0000 51762.1676 -110013.8309 297.4779 -161775.9985 -109653.8515 298.3055 316.6293 351.9531 759759.7751 7.4309 7.5142 PRESSURE: 4096000 146.01 16.4442 111.255 16.444 -171.221 57.654 111.255 57.6537 -0.719684 GPRESSURE: 4096000 129.651 119.676 139.512 2.8462 -35.6546 10.4663 95.5484 -2.11207 -63.4867 PRESSAVG: 4096000 -6.87265 2.57763 2.72081 2.57761 21.8893 6.99606 2.72081 6.99606 -25.9113 GPRESSAVG: 4096000 -7.77204 4.05438 1.43038 2.9662 22.018 7.29019 4.03437 6.07255 -26.152 TIMING: 4096000 CPU: 13264.3, 0.00310563/step Wall: 13264.3, 0.00310563/step, 0.779859 hours remaining, 235.285156 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: 4096000 3983.8600 20428.8981 14473.4180 227.6151 -203600.2277 2415.5199 0.0000 0.0000 52134.3993 -109936.5173 299.6171 -162070.9166 -109569.8277 297.7691 -8.6435 10.1699 760046.1986 -3.6316 -3.9687 PRESSURE: 4096200 -86.1849 -50.5252 201.708 -50.5242 -615.239 -137.894 201.708 -137.893 120.923 GPRESSURE: 4096200 -53.4325 -134.52 99.395 -87.8355 -549.27 -186.181 156.353 -54.4862 105.84 PRESSAVG: 4096200 8.93704 -38.5941 -33.4731 -38.5941 -30.2585 47.8541 -33.4732 47.8541 14.6045 GPRESSAVG: 4096200 9.98581 -40.4913 -34.3332 -39.8607 -31.1412 48.6916 -34.4163 48.5046 14.6776 TIMING: 4096200 CPU: 13264.9, 0.00310775/step Wall: 13264.9, 0.00310775/step, 0.780218 hours remaining, 235.285156 MB of memory in use. ENERGY: 4096200 4051.2779 20513.8471 14482.9122 252.2076 -203808.9847 2644.2714 0.0000 0.0000 51951.3534 -109913.1151 298.5651 -161864.4685 -109551.5714 298.2405 -193.5005 -165.6208 759569.8517 -2.2390 -2.1593 LDB: ============= START OF LOAD BALANCING ============== 13277.3 LDB: ============== END OF LOAD BALANCING =============== 13277.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13277.3 LDB: ============= START OF LOAD BALANCING ============== 13277.6 LDB: Largest compute 7068 load 0.032536 is 16.6% of average load 0.195711 LDB: Average compute 0.004388 is 2.2% of average load 0.195711 LDB: TIME 13277.6 LOAD: AVG 0.195711 MAX 0.215871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.23 MB LDB: TIME 13277.6 LOAD: AVG 0.195711 MAX 0.215871 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.301 MB LDB: TIME 13277.6 LOAD: AVG 0.195711 MAX 0.215871 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.301 MB LDB: ============== END OF LOAD BALANCING =============== 13277.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13277.7 PRESSURE: 4096400 -209.598 -256.896 -481.749 -256.897 -210.457 -18.4201 -481.748 -18.4207 -595.876 GPRESSURE: 4096400 -211.963 -216.489 -462.318 -129.231 -208.162 -195.637 -421.346 79.4723 -489.346 PRESSAVG: 4096400 13.6619 -42.2078 2.46487 -42.2078 -32.6338 35.7772 2.46499 35.7771 5.82091 GPRESSAVG: 4096400 13.5625 -41.3134 4.6133 -40.3007 -32.8695 35.6961 1.38274 34.346 6.37725 TIMING: 4096400 CPU: 13265.5, 0.00318485/step Wall: 13265.5, 0.00318485/step, 0.799397 hours remaining, 236.156250 MB of memory in use. ENERGY: 4096400 4024.4164 20511.8701 14407.2849 258.8354 -203471.3473 2543.3817 0.0000 0.0000 51966.3872 -109759.1715 298.6515 -161725.5587 -109402.4506 298.4847 -338.6437 -303.1573 759894.3486 -4.3837 -4.3099 PRESSURE: 4096600 249.534 4.77512 154.968 4.77534 -424.547 -83.5706 154.967 -83.5705 -261.626 GPRESSURE: 4096600 296.126 71.2999 193.665 -138.082 -403.762 -97.9378 212.757 -103.018 -247.455 PRESSAVG: 4096600 27.0836 -30.2167 12.5161 -30.2167 -10.9925 44.058 12.5161 44.058 -2.42763 GPRESSAVG: 4096600 27.6074 -29.4525 13.6262 -30.9042 -11.0343 44.2986 12.8285 45.029 -3.1593 TIMING: 4096600 CPU: 13266.2, 0.00311108/step Wall: 13266.2, 0.00311108/step, 0.780709 hours remaining, 236.222656 MB of memory in use. ENERGY: 4096600 3947.7968 20358.5851 14571.6400 242.0327 -203880.4740 2781.4099 0.0000 0.0000 52136.8314 -109842.1782 299.6311 -161979.0096 -109471.3531 298.8453 -145.5463 -118.3639 759289.2372 4.5545 4.4713 PRESSURE: 4096800 -175.234 -252.603 25.0494 -252.603 -316.564 -39.1082 25.0493 -39.108 6.12595 GPRESSURE: 4096800 -169.836 -289.355 -13.1394 -121.571 -253.776 -104.051 6.43323 -3.81348 25.6892 PRESSAVG: 4096800 1.08599 -73.8336 -4.61355 -73.8337 -9.53525 40.6955 -4.61356 40.6954 -4.04276 GPRESSAVG: 4096800 0.502771 -73.4311 -7.76173 -73.9565 -8.88022 38.7507 -4.50636 41.1317 -3.78794 TIMING: 4096800 CPU: 13266.8, 0.00311087/step Wall: 13266.8, 0.00311087/step, 0.780482 hours remaining, 236.222656 MB of memory in use. ENERGY: 4096800 3952.1868 20531.7291 14511.5468 213.9798 -203670.0521 2567.9360 0.0000 0.0000 51955.1785 -109937.4951 298.5871 -161892.6735 -109573.7555 298.6753 -161.8904 -132.6408 760154.9918 -4.1640 -4.0551 PRESSURE: 4097000 271.212 65.2041 57.4469 65.2044 130.553 56.2986 57.4464 56.2981 307.957 GPRESSURE: 4097000 264.044 17.8491 87.7385 116.012 212.485 153.559 -4.64356 65.9036 315.497 PRESSAVG: 4097000 -23.444 -85.3359 14.68 -85.3359 -19.4576 32.5737 14.68 32.5738 4.38441 GPRESSAVG: 4097000 -23.3475 -85.4863 15.9646 -86.232 -20.3031 34.7298 15.4861 31.9349 4.95605 TIMING: 4097000 CPU: 13267.4, 0.00310307/step Wall: 13267.4, 0.00310308/step, 0.778355 hours remaining, 236.429688 MB of memory in use. ENERGY: 4097000 3950.2329 20447.5417 14537.8767 226.8590 -203581.7345 2749.5142 0.0000 0.0000 51680.1248 -109989.5853 297.0064 -161669.7101 -109627.2678 298.4169 236.5741 264.0086 760959.5385 -12.8391 -12.8982 PRESSURE: 4097200 224.551 -1.58933 326.785 -1.5887 70.2695 -29.6514 326.785 -29.6512 -115.885 GPRESSURE: 4097200 271.162 -83.4576 211.902 -11.8319 -6.29274 29.358 432.283 -93.0575 -4.84438 PRESSAVG: 4097200 -14.598 -60.5122 -4.37926 -60.5121 21.7126 -24.4724 -4.3793 -24.4725 -6.15703 GPRESSAVG: 4097200 -15.0521 -60.5363 -6.82054 -59.372 21.6964 -24.7541 -4.01215 -24.478 -5.50152 TIMING: 4097200 CPU: 13268, 0.00311147/step Wall: 13268, 0.00311147/step, 0.780289 hours remaining, 236.570312 MB of memory in use. ENERGY: 4097200 3986.1712 20541.3681 14479.3753 242.8262 -204079.9947 2978.1229 0.0000 0.0000 51858.5936 -109993.5372 298.0321 -161852.1309 -109638.1068 297.7581 59.6451 86.6749 759207.7858 0.3192 0.3809 PRESSURE: 4097400 378.358 -140.51 37.2325 -140.509 -323.221 174.035 37.2334 174.035 -394.37 GPRESSURE: 4097400 390.662 -144.322 18.0865 -52.1263 -239.8 134.243 15.4619 -4.23042 -410.268 PRESSAVG: 4097400 42.3076 9.39058 30.3905 9.39058 -11.9458 43.8612 30.3905 43.8612 -13.4479 GPRESSAVG: 4097400 42.5336 8.82293 32.0935 8.90539 -11.561 44.7358 28.4905 44.0121 -13.7848 TIMING: 4097400 CPU: 13268.7, 0.00310389/step Wall: 13268.7, 0.00310389/step, 0.778214 hours remaining, 236.570312 MB of memory in use. ENERGY: 4097400 4029.4504 20451.4933 14485.8836 245.6926 -203407.1893 2512.3159 0.0000 0.0000 51802.0746 -109880.2790 297.7072 -161682.3535 -109519.7479 298.1380 -113.0777 -86.4688 759850.4878 5.6380 5.7292 PRESSURE: 4097600 -210.229 37.6168 -218.639 37.6164 -152.881 -3.7098 -218.639 -3.70931 265.024 GPRESSURE: 4097600 -178.629 -83.664 -208.239 51.551 -114.447 -120.094 -190.006 -77.0267 268.829 PRESSAVG: 4097600 -7.92157 -17.8572 1.63139 -17.8572 -11.4325 -11.5827 1.6314 -11.5828 -14.0199 GPRESSAVG: 4097600 -8.34596 -15.4546 1.01839 -18.1116 -11.6469 -11.4792 3.78976 -14.1732 -13.1024 TIMING: 4097600 CPU: 13269.3, 0.00311498/step Wall: 13269.3, 0.00311498/step, 0.780821 hours remaining, 236.625000 MB of memory in use. ENERGY: 4097600 3995.9097 20576.1606 14427.7480 238.5612 -204066.4293 2841.2681 0.0000 0.0000 52059.1717 -109927.6100 299.1848 -161986.7816 -109572.5111 298.3567 -32.6952 -8.0822 760902.1034 -11.1246 -11.0318 PRESSURE: 4097800 262.926 -5.28951 153.661 -5.28977 -181.903 -35.5042 153.661 -35.5045 -80.5702 GPRESSURE: 4097800 282.45 133.642 217.598 -77.0325 -8.32331 -60.4639 106.07 13.7552 -169.765 PRESSAVG: 4097800 45.4987 -48.1017 -15.9956 -48.1017 -28.3711 16.8555 -15.9956 16.8555 0.16437 GPRESSAVG: 4097800 46.0788 -50.951 -15.5235 -45.393 -27.6657 16.9357 -18.7028 19.1498 -0.95909 TIMING: 4097800 CPU: 13269.9, 0.00310649/step Wall: 13269.9, 0.00310649/step, 0.77852 hours remaining, 236.625000 MB of memory in use. ENERGY: 4097800 3903.5427 20406.3222 14453.1034 229.6669 -203631.3349 2762.6974 0.0000 0.0000 51755.9224 -110120.0798 297.4420 -161876.0022 -109756.1172 297.8252 0.1507 34.7871 758443.8501 5.7640 5.8180 PRESSURE: 4098000 106.603 -324.005 24.887 -324.005 47.5922 56.0898 24.8872 56.0901 -187.879 GPRESSURE: 4098000 191.556 -135.787 -43.1198 -146.746 88.5444 107.289 26.3882 -62.1737 -213.331 PRESSAVG: 4098000 -18.3469 -28.03 -20.8246 -28.0299 16.8901 -24.2129 -20.8245 -24.2129 -17.1356 GPRESSAVG: 4098000 -18.2671 -26.5962 -19.899 -30.5435 16.1646 -26.0291 -19.4487 -24.3433 -17.1765 TIMING: 4098000 CPU: 13270.5, 0.00310893/step Wall: 13270.5, 0.00310893/step, 0.778961 hours remaining, 236.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4098000 3936.2971 20576.4206 14415.8530 238.3315 -203817.5937 2631.7040 0.0000 0.0000 51963.1419 -110055.8455 298.6329 -162018.9874 -109705.5164 297.7911 -11.2280 22.2566 759978.6162 -6.1975 -6.4263 PRESSURE: 4098200 225.43 -219.693 -19.5844 -219.693 -287.653 22.1267 -19.5841 22.1271 -206.032 GPRESSURE: 4098200 173.766 -216.164 35.7688 -111.271 -156.18 21.6855 -52.037 100.245 -188.45 PRESSAVG: 4098200 -38.6269 -35.6207 -1.73693 -35.6207 23.3277 -32.7143 -1.73692 -32.7142 20.5691 GPRESSAVG: 4098200 -38.2226 -36.9961 -1.41332 -33.816 22.2021 -32.2057 -2.08676 -31.1304 21.3368 TIMING: 4098200 CPU: 13271.1, 0.00311835/step Wall: 13271.1, 0.00311835/step, 0.781146 hours remaining, 236.625000 MB of memory in use. ENERGY: 4098200 3942.6018 20379.7338 14423.4845 231.5444 -203322.2327 2370.4747 0.0000 0.0000 51885.5511 -110088.8424 298.1870 -161974.3935 -109718.1525 298.2655 -89.4184 -56.9550 759850.6029 1.7566 1.7721 PRESSURE: 4098400 -171.493 74.6708 -161.229 74.6712 212.58 85.3821 -161.229 85.382 -630.216 GPRESSURE: 4098400 -105.693 8.27231 -103.771 50.0261 200.779 20.9387 -114.328 187.371 -602.727 PRESSAVG: 4098400 7.98113 -68.6222 -9.21256 -68.6222 -39.2633 -3.724 -9.21253 -3.72394 2.32738 GPRESSAVG: 4098400 8.42296 -68.2353 -10.4181 -68.9671 -38.8959 -3.38693 -8.33287 -4.95713 2.17365 TIMING: 4098400 CPU: 13271.8, 0.00311397/step Wall: 13271.8, 0.00311397/step, 0.779877 hours remaining, 236.625000 MB of memory in use. ENERGY: 4098400 3910.6699 20370.0354 14473.6227 261.1207 -203294.5487 2162.0506 0.0000 0.0000 52050.7689 -110066.2805 299.1365 -162117.0494 -109688.7225 298.2030 -196.3765 -169.2136 761074.2944 -9.6516 -9.4331 PRESSURE: 4098600 -366.776 3.41817 20.4158 3.41814 -249.748 163.963 20.4158 163.961 -553.456 GPRESSURE: 4098600 -343.301 88.3387 7.67289 -26.0246 -264.017 144.54 -9.99599 146.252 -486.732 PRESSAVG: 4098600 -18.6107 -32.9414 -10.8907 -32.9414 24.6911 58.9848 -10.8907 58.9849 1.95808 GPRESSAVG: 4098600 -19.1423 -31.7368 -11.6939 -34.7266 25.6725 58.1671 -11.5649 60.2325 1.491 TIMING: 4098600 CPU: 13272.4, 0.00311315/step Wall: 13272.4, 0.00311315/step, 0.779498 hours remaining, 236.625000 MB of memory in use. ENERGY: 4098600 3962.8345 20460.5327 14453.1216 245.9970 -203700.4325 2359.8064 0.0000 0.0000 51851.3523 -110366.7881 297.9904 -162218.1404 -109995.0073 297.5875 -389.9930 -364.6831 760289.2046 2.6795 2.6737 PRESSURE: 4098800 322.162 55.2255 182.799 55.225 142.303 -87.4167 182.799 -87.418 31.6244 GPRESSURE: 4098800 448.671 71.0229 189.205 99.853 54.8001 -69.3871 137.055 -112.447 91.0777 PRESSAVG: 4098800 -10.9945 -20.1264 9.35475 -20.1264 14.5787 -11.33 9.35474 -11.3299 12.6398 GPRESSAVG: 4098800 -10.4899 -21.8158 9.41983 -20.6419 15.4525 -9.89611 9.96627 -14.1543 11.5008 TIMING: 4098800 CPU: 13273, 0.00310881/step Wall: 13273, 0.00310881/step, 0.778239 hours remaining, 236.625000 MB of memory in use. ENERGY: 4098800 3977.2835 20629.8063 14492.5244 243.8695 -203952.1722 2566.8763 0.0000 0.0000 51594.9982 -110446.8140 296.5172 -162041.8122 -110094.0972 297.5679 165.3634 198.1829 757785.3022 5.4080 5.4878 PRESSURE: 4099000 84.9059 -227.626 -151.715 -227.626 -382.872 153.476 -151.716 153.476 91.3382 GPRESSURE: 4099000 149.863 -174.209 -258.535 -76.2846 -359.765 79.6483 -129.288 7.61421 98.5192 PRESSAVG: 4099000 46.3375 -62.8151 -7.40928 -62.8151 25.2752 44.9479 -7.40923 44.9479 6.77365 GPRESSAVG: 4099000 46.9478 -62.8785 -7.00164 -59.1563 24.4162 44.4438 -7.79431 46.266 7.51026 TIMING: 4099000 CPU: 13273.6, 0.00310579/step Wall: 13273.6, 0.00310579/step, 0.777311 hours remaining, 236.625000 MB of memory in use. ENERGY: 4099000 4034.7699 20435.3574 14435.1383 226.8323 -203835.7043 2718.1682 0.0000 0.0000 51775.4160 -110210.0222 297.5540 -161985.4382 -109849.6989 297.5086 -68.8760 -37.1274 760539.5134 26.1288 26.2914 PRESSURE: 4099200 -34.8691 96.7469 -108.419 96.7465 191.717 116.835 -108.419 116.836 40.8155 GPRESSURE: 4099200 5.99514 -17.8686 -73.1675 71.52 147.32 114.114 -132.555 223.543 116.971 PRESSAVG: 4099200 56.4606 -36.269 -29.9212 -36.2691 -33.9248 26.4737 -29.9211 26.4736 18.3324 GPRESSAVG: 4099200 56.1931 -36.8294 -30.1686 -40.0387 -34.5807 24.4606 -29.4065 26.7264 20.1037 TIMING: 4099200 CPU: 13274.3, 0.00309604/step Wall: 13274.3, 0.00309604/step, 0.774698 hours remaining, 236.625000 MB of memory in use. ENERGY: 4099200 4031.4235 20414.3580 14478.1704 245.9240 -204027.2385 2709.6888 0.0000 0.0000 52000.2717 -110147.4022 298.8463 -162147.6738 -109783.5039 297.7167 65.8879 90.0955 759232.6997 13.6227 13.9054 PRESSURE: 4099400 231.566 -150.938 -49.4612 -150.938 70.8039 -91.9079 -49.4611 -91.9086 -79.2169 GPRESSURE: 4099400 249.099 -107.867 -7.27252 -104.571 145.169 -88.8018 31.6561 36.3109 -83.3167 PRESSAVG: 4099400 21.8001 -44.4995 16.3936 -44.4995 -12.3554 -26.6396 16.3936 -26.6395 24.7034 GPRESSAVG: 4099400 21.4432 -41.6007 15.5748 -43.1673 -11.6634 -26.0323 16.0833 -25.1431 24.0873 TIMING: 4099400 CPU: 13274.9, 0.00312416/step Wall: 13274.9, 0.00312416/step, 0.78156 hours remaining, 236.625000 MB of memory in use. ENERGY: 4099400 4021.3907 20414.2317 14413.5518 243.0336 -204201.3089 2903.6283 0.0000 0.0000 52204.9103 -110000.5625 300.0223 -162205.4728 -109630.0202 298.5113 74.3843 103.6503 758771.6254 11.3827 11.2890 PRESSURE: 4099600 385.386 -175.343 148.414 -175.343 -167.335 6.80648 148.414 6.80658 434.558 GPRESSURE: 4099600 413.775 -79.4387 77.2391 -35.7057 -117.023 32.3447 107.271 33.3374 427.023 PRESSAVG: 4099600 23.0698 -88.3331 -17.2474 -88.3331 -10.6128 -1.11202 -17.2474 -1.11201 12.715 GPRESSAVG: 4099600 23.226 -89.8666 -18.1433 -87.2309 -10.5321 -1.03745 -18.281 -1.16822 12.2179 TIMING: 4099600 CPU: 13275.5, 0.00311884/step Wall: 13275.5, 0.00311884/step, 0.780056 hours remaining, 236.625000 MB of memory in use. ENERGY: 4099600 3980.1866 20531.8786 14395.8362 254.2893 -203864.2728 2802.3643 0.0000 0.0000 52028.7965 -109870.9211 299.0102 -161899.7177 -109512.7979 298.6723 217.5363 241.2584 759474.8617 8.3907 8.3039 PRESSURE: 4099800 -150.132 -285.663 -52.9797 -285.663 -314.232 -2.10007 -52.9795 -2.0999 -237.98 GPRESSURE: 4099800 -110.141 -250.334 -14.6072 -324.604 -262.998 -8.02806 -78.2583 168.776 -250.708 PRESSAVG: 4099800 -0.410922 -55.6021 10.8649 -55.6021 -2.41284 -26.9279 10.8649 -26.9279 0.991338 GPRESSAVG: 4099800 0.00388651 -53.9659 14.2486 -55.8437 -3.02505 -27.3154 10.4353 -27.6647 0.63785 TIMING: 4099800 CPU: 13276.1, 0.00312785/step Wall: 13276.1, 0.00312785/step, 0.782135 hours remaining, 236.625000 MB of memory in use. ENERGY: 4099800 4067.2939 20463.8836 14486.8761 256.8772 -203795.0909 2710.3642 0.0000 0.0000 51876.2336 -109933.5623 298.1334 -161809.7959 -109560.6872 298.2186 -234.1148 -207.9489 761576.6700 -0.6108 -0.7944 WRITING COORDINATES TO DCD FILE MD.4.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: 4100000 -243.155 -68.3251 -96.3376 -68.3249 -128.564 73.266 -96.3373 73.2672 -198.621 GPRESSURE: 4100000 -311.106 -57.5232 -138.247 -51.8191 -19.1262 86.1668 -48.597 6.30657 -157.164 PRESSAVG: 4100000 13.6284 -60.7476 -14.8538 -60.7477 40.0757 -4.83131 -14.8538 -4.83131 -16.8981 GPRESSAVG: 4100000 12.1237 -60.8206 -18.1185 -59.8358 42.053 -4.04549 -12.7218 -6.62651 -17.6708 TIMING: 4100000 CPU: 13276.8, 0.00324947/step Wall: 13276.8, 0.00324947/step, 0.812367 hours remaining, 236.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4100000 4024.7279 20466.8358 14464.8910 250.3475 -203777.7204 2490.2555 0.0000 0.0000 52000.3131 -110080.3495 298.8465 -162080.6626 -109713.5839 298.1701 -190.1134 -162.4652 758603.5324 12.2687 12.1686 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 PRESSURE: 4100200 -107.076 -164.067 -32.5749 -164.067 -48.8411 -149.285 -32.5753 -149.284 58.397 GPRESSURE: 4100200 -43.9228 -131.729 -26.5574 -104.819 -69.0256 -134.045 -17.8021 -66.3903 102.443 PRESSAVG: 4100200 -24.8898 -72.7259 -4.49948 -72.7259 46.6223 46.9847 -4.49946 46.9847 -4.57544 GPRESSAVG: 4100200 -24.566 -73.9132 -2.6194 -73.348 45.0516 46.5263 -3.5909 47.5116 -3.33482 TIMING: 4100200 CPU: 13277.4, 0.00313589/step Wall: 13277.4, 0.00313589/step, 0.783798 hours remaining, 236.625000 MB of memory in use. ENERGY: 4100200 3972.8096 20663.0700 14403.7855 239.2115 -203779.4654 2697.9465 0.0000 0.0000 51829.0513 -109973.5910 297.8623 -161802.6423 -109607.4131 298.1159 -32.5068 -3.5019 760198.9273 5.7190 5.7170 LDB: ============= START OF LOAD BALANCING ============== 13289.8 LDB: ============== END OF LOAD BALANCING =============== 13289.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13289.8 LDB: ============= START OF LOAD BALANCING ============== 13290.1 LDB: Largest compute 7036 load 0.033108 is 16.9% of average load 0.195658 LDB: Average compute 0.004402 is 2.2% of average load 0.195658 LDB: TIME 13290.1 LOAD: AVG 0.195658 MAX 0.21621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 13290.1 LOAD: AVG 0.195658 MAX 0.21621 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 13290.1 LOAD: AVG 0.195658 MAX 0.21621 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 13290.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13290.2 PRESSURE: 4100400 -159.543 119.805 206.864 119.805 -90.1479 -20.8698 206.865 -20.8712 160.111 GPRESSURE: 4100400 -167.63 29.3551 191.882 43.7452 -18.2638 -101.258 110.523 1.4912 187.093 PRESSAVG: 4100400 -46.9465 -85.7904 -40.65 -85.7904 12.0523 6.24592 -40.6499 6.24592 16.9244 GPRESSAVG: 4100400 -46.4491 -85.9063 -39.4795 -84.601 12.6815 7.69076 -43.2636 7.37767 16.0279 TIMING: 4100400 CPU: 13278, 0.00319905/step Wall: 13278, 0.00319905/step, 0.799407 hours remaining, 234.882812 MB of memory in use. ENERGY: 4100400 3868.7821 20584.3820 14439.3237 256.4526 -203296.2788 2258.5389 0.0000 0.0000 51813.2621 -110075.5373 297.7715 -161888.7994 -109710.6510 298.2200 -29.8599 0.3998 759939.8484 -5.9899 -5.9132 PRESSURE: 4100600 -100.197 -7.13284 112.879 -7.13374 355.039 -19.6729 112.877 -19.6732 200.127 GPRESSURE: 4100600 45.9502 196.244 68.1481 40.0959 294.322 -35.2501 137.179 39.0552 222.621 PRESSAVG: 4100600 -66.6526 -53.121 -25.9558 -53.1211 89.0943 10.9207 -25.9558 10.9207 -8.28334 GPRESSAVG: 4100600 -66.2984 -51.9528 -27.0083 -54.1989 89.2084 10.1836 -24.7546 10.7254 -8.24311 TIMING: 4100600 CPU: 13278.7, 0.00312576/step Wall: 13278.7, 0.00312576/step, 0.780919 hours remaining, 235.085938 MB of memory in use. ENERGY: 4100600 3964.5537 20411.5667 14492.5803 261.3442 -203771.5240 2824.3831 0.0000 0.0000 51696.0028 -110121.0931 297.0976 -161817.0960 -109767.4441 298.1346 151.6566 187.6310 760682.8231 4.7195 4.8890 PRESSURE: 4100800 229.204 -238.976 -177.108 -238.975 -341.54 125.891 -177.107 125.89 -198.093 GPRESSURE: 4100800 113.593 -177.83 -122.475 -158.191 -167.254 83.3666 -143.473 28.0782 -188.373 PRESSAVG: 4100800 -12.4866 -39.9342 -31.5409 -39.9341 36.5944 -5.45702 -31.5409 -5.457 1.31737 GPRESSAVG: 4100800 -13.3822 -39.9107 -31.3071 -38.5664 36.6221 -7.29931 -31.0956 -4.99246 2.00327 TIMING: 4100800 CPU: 13279.3, 0.00313168/step Wall: 13279.3, 0.00313168/step, 0.782224 hours remaining, 235.085938 MB of memory in use. ENERGY: 4100800 3989.4987 20529.6826 14466.1151 219.8266 -203387.9779 2631.9887 0.0000 0.0000 51870.5149 -109680.3512 298.1006 -161550.8661 -109316.6163 298.1526 -103.4766 -80.6780 761117.8264 8.4750 8.4144 PRESSURE: 4101000 -134.185 -401.591 -134.679 -401.592 203.759 51.0075 -134.678 51.0067 -20.0063 GPRESSURE: 4101000 -84.1666 -427.359 -177.215 -263.868 221.222 12.1566 -93.3261 21.9062 -11.8251 PRESSAVG: 4101000 -0.90308 -32.3446 7.96694 -32.3446 27.2159 -21.7221 7.96702 -21.7221 9.01685 GPRESSAVG: 4101000 -1.54892 -34.51 6.60033 -30.896 27.6467 -21.1674 9.7721 -21.4281 9.38807 TIMING: 4101000 CPU: 13279.9, 0.00313753/step Wall: 13279.9, 0.00313753/step, 0.78351 hours remaining, 235.085938 MB of memory in use. ENERGY: 4101000 3941.4892 20517.3189 14463.2875 245.7171 -203733.4760 2929.1930 0.0000 0.0000 51888.2638 -109748.2066 298.2026 -161636.4704 -109376.9749 299.0487 16.5224 41.7433 760229.2227 11.7766 11.8286 PRESSURE: 4101200 -79.2974 -184.52 -42.2169 -184.52 148.063 228.575 -42.2172 228.575 269.246 GPRESSURE: 4101200 96.3077 -221.934 -19.2412 -87.8765 103.333 210.44 -60.3164 113.516 237.438 PRESSAVG: 4101200 1.57153 -38.2437 -41.1087 -38.2437 -23.6827 -31.3583 -41.1086 -31.3584 -23.6755 GPRESSAVG: 4101200 2.24423 -37.5609 -41.2089 -38.3803 -22.8312 -30.3161 -44.1999 -31.099 -24.89 TIMING: 4101200 CPU: 13280.5, 0.00312342/step Wall: 13280.5, 0.00312342/step, 0.779814 hours remaining, 235.085938 MB of memory in use. ENERGY: 4101200 3995.1766 20496.9115 14464.7821 229.7483 -203149.9810 2287.6637 0.0000 0.0000 52011.8352 -109663.8636 298.9127 -161675.6988 -109297.6501 298.7654 112.6705 145.6929 761782.6141 -15.2622 -15.1590 PRESSURE: 4101400 307.296 17.2906 -96.0943 17.2905 239.137 274.322 -96.0944 274.322 -388.273 GPRESSURE: 4101400 327.498 -80.9118 -75.5125 -36.0118 246.762 318.033 -77.235 320.725 -353.452 PRESSAVG: 4101400 38.6131 -26.3676 26.81 -26.3676 33.1618 28.707 26.8101 28.7071 9.79589 GPRESSAVG: 4101400 38.806 -28.955 27.8488 -26.7905 33.3508 28.5137 26.449 27.2837 9.35839 TIMING: 4101400 CPU: 13281.2, 0.00311391/step Wall: 13281.2, 0.00311391/step, 0.777266 hours remaining, 235.085938 MB of memory in use. ENERGY: 4101400 3977.7383 20539.1855 14430.6111 252.7518 -203541.7188 2718.5790 0.0000 0.0000 52145.0631 -109477.7901 299.6784 -161622.8532 -109114.4487 299.0164 52.7198 73.6025 759681.1696 27.1903 27.1717 PRESSURE: 4101600 -548.72 -14.7594 168.177 -14.7592 88.1126 75.8504 168.177 75.851 -251.291 GPRESSURE: 4101600 -402.655 -30.1614 182.356 -60.0383 102.81 16.8814 222.66 25.7807 -328.964 PRESSAVG: 4101600 7.42411 -66.3102 34.617 -66.3102 -29.5617 -8.65075 34.617 -8.65079 -7.16898 GPRESSAVG: 4101600 8.24497 -63.2429 34.1468 -67.9057 -30.8147 -8.38232 35.3219 -9.41115 -6.29044 TIMING: 4101600 CPU: 13281.8, 0.00311323/step Wall: 13281.8, 0.00311323/step, 0.776923 hours remaining, 235.085938 MB of memory in use. ENERGY: 4101600 3974.8944 20401.7144 14503.5312 252.8449 -203009.6488 2378.1370 0.0000 0.0000 51850.9644 -109647.5625 297.9882 -161498.5269 -109287.9749 298.7736 -237.2994 -209.6028 760762.4841 -9.7688 -9.6201 PRESSURE: 4101800 374.214 -144.077 -173.7 -144.077 -204.761 -182.522 -173.7 -182.521 357.455 GPRESSURE: 4101800 293.029 -78.407 -101.875 35.2211 -86.8364 -105.704 -177.034 -199.554 381.249 PRESSAVG: 4101800 77.5931 -9.43638 12.1386 -9.4364 -44.6039 -8.43346 12.1386 -8.43343 -8.51304 GPRESSAVG: 4101800 76.3886 -9.65472 12.7812 -7.91881 -44.2079 -6.70516 12.9555 -8.90979 -8.01065 TIMING: 4101800 CPU: 13282.4, 0.00311785/step Wall: 13282.4, 0.00311785/step, 0.777904 hours remaining, 235.085938 MB of memory in use. ENERGY: 4101800 3935.5647 20529.0869 14513.9035 228.2859 -203624.1429 2708.1696 0.0000 0.0000 52071.8083 -109637.3240 299.2574 -161709.1322 -109281.9550 298.7005 175.6357 195.8138 759925.8777 8.1587 8.0567 PRESSURE: 4102000 -310.302 -138.543 -162.527 -138.542 -129.632 112.097 -162.527 112.097 -375.364 GPRESSURE: 4102000 -300.843 -118.947 -140.097 -149.179 -57.8558 135.562 10.198 57.8723 -360.452 PRESSAVG: 4102000 52.7788 -47.6907 -5.59741 -47.6907 -44.3159 -16.902 -5.59738 -16.9019 11.7091 GPRESSAVG: 4102000 52.9097 -47.1307 -6.98454 -48.5126 -44.0694 -17.5978 -4.0062 -15.2365 11.2896 TIMING: 4102000 CPU: 13283, 0.00312312/step Wall: 13283, 0.00312312/step, 0.779044 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4102000 4032.5827 20557.2994 14520.4450 241.4297 -203028.9195 2170.0869 0.0000 0.0000 51805.8940 -109701.1818 297.7292 -161507.0758 -109358.3862 298.9686 -271.7661 -239.7169 759920.2550 6.7240 6.7100 PRESSURE: 4102200 102.739 153.296 129.708 153.297 49.5824 -113.26 129.709 -113.26 -110.587 GPRESSURE: 4102200 27.9628 161.794 126.204 116.922 172.883 -158.144 56.8043 -78.825 -72.0981 PRESSAVG: 4102200 90.2457 17.1193 -28.8296 17.1193 -40.9579 -86.1788 -28.8296 -86.1787 20.8953 GPRESSAVG: 4102200 90.7146 18.4299 -27.6409 17.1357 -40.9688 -86.4366 -32.2946 -87.3547 20.2416 TIMING: 4102200 CPU: 13283.7, 0.00311851/step Wall: 13283.7, 0.00311851/step, 0.777721 hours remaining, 235.085938 MB of memory in use. ENERGY: 4102200 4021.7404 20390.1496 14445.1753 254.1258 -203061.8885 2403.1767 0.0000 0.0000 51984.1960 -109563.3246 298.7539 -161547.5206 -109204.8738 298.6621 13.9114 42.9160 758115.0459 23.3944 23.3291 PRESSURE: 4102400 -32.1917 127.544 17.2838 127.545 -33.1153 -46.9296 17.2831 -46.9291 108.13 GPRESSURE: 4102400 74.6994 84.236 57.5941 72.8426 -114.856 -55.3377 70.7029 -53.1675 165.211 PRESSAVG: 4102400 87.5234 18.8651 -5.22319 18.8651 -21.938 -42.351 -5.22314 -42.3511 0.195305 GPRESSAVG: 4102400 87.6556 18.9554 -4.78348 18.0278 -22.3388 -42.8352 -4.91911 -41.9775 0.0573866 TIMING: 4102400 CPU: 13284.3, 0.00313091/step Wall: 13284.3, 0.00313091/step, 0.780639 hours remaining, 235.085938 MB of memory in use. ENERGY: 4102400 3958.2549 20308.1112 14448.5004 246.3450 -203165.4653 2462.4466 0.0000 0.0000 52295.8312 -109445.9760 300.5449 -161741.8072 -109069.6301 299.4601 14.2742 41.6849 759488.7349 21.9269 21.7914 PRESSURE: 4102600 -38.6655 -28.7168 -45.3317 -28.7171 231.796 -15.2036 -45.3313 -15.2037 394.25 GPRESSURE: 4102600 69.4092 -71.0115 3.09639 18.4843 149.335 -44.2271 -18.8022 82.2994 452.206 PRESSAVG: 4102600 42.7356 13.228 -21.5961 13.228 2.64377 -25.9641 -21.5961 -25.9641 -23.6211 GPRESSAVG: 4102600 42.2566 12.4886 -21.0695 14.0644 1.2532 -25.2466 -18.3531 -25.5003 -21.431 TIMING: 4102600 CPU: 13284.9, 0.00314082/step Wall: 13284.9, 0.00314082/step, 0.782937 hours remaining, 235.085938 MB of memory in use. ENERGY: 4102600 3962.7933 20436.0273 14495.7491 244.4543 -203249.6166 2460.0559 0.0000 0.0000 52228.0461 -109422.4907 300.1553 -161650.5367 -109047.5853 299.3439 195.7935 223.6499 759909.3127 7.2528 7.3596 PRESSURE: 4102800 29.3402 24.0352 126.257 24.0348 -84.1418 36.4612 126.258 36.4609 -60.1449 GPRESSURE: 4102800 -0.526268 27.9665 138.46 64.8748 -33.5518 62.7436 61.3431 -33.212 0.00459316 PRESSAVG: 4102800 15.6666 -3.74584 22.352 -3.74585 -11.1624 36.625 22.352 36.625 12.0134 GPRESSAVG: 4102800 16.0889 -4.79151 20.7002 -4.92583 -10.7976 37.0859 21.1978 37.3276 11.1524 TIMING: 4102800 CPU: 13285.6, 0.00316474/step Wall: 13285.6, 0.00316474/step, 0.788724 hours remaining, 235.085938 MB of memory in use. ENERGY: 4102800 3991.7104 20574.1740 14430.2108 264.0346 -203088.5582 2501.5789 0.0000 0.0000 52049.9637 -109276.8858 299.1319 -161326.8496 -108914.8459 299.3548 -38.3155 -11.3578 762484.3563 5.5059 5.4812 PRESSURE: 4103000 -110.801 80.8495 105.118 80.8501 -148.181 12.851 105.118 12.8509 81.4211 GPRESSURE: 4103000 35.7868 47.7762 94.8185 86.8256 -155.16 112.504 194.431 21.8045 22.9067 PRESSAVG: 4103000 50.6706 -24.1323 7.03338 -24.1322 -43.127 9.23942 7.03339 9.23935 -28.6966 GPRESSAVG: 4103000 50.2812 -23.7797 6.82321 -21.0314 -42.2991 9.53557 5.88055 9.22191 -29.8339 TIMING: 4103000 CPU: 13286.2, 0.00312465/step Wall: 13286.2, 0.00312465/step, 0.778558 hours remaining, 235.085938 MB of memory in use. ENERGY: 4103000 4024.8626 20446.3112 14436.3821 251.4787 -202630.7984 2354.8957 0.0000 0.0000 52081.5973 -109035.2709 299.3137 -161116.8681 -108669.5503 299.8997 -59.1869 -32.1556 759535.0114 -7.0510 -7.2839 PRESSURE: 4103200 295.269 -78.8841 -171.519 -78.884 121.39 5.38399 -171.519 5.38325 29.2909 GPRESSURE: 4103200 290.072 -83.5352 -114.245 -82.5156 179.402 39.9351 -102.871 -33.0724 67.0535 PRESSAVG: 4103200 38.1328 6.53481 17.687 6.53478 -26.5189 5.19813 17.687 5.19811 7.72542 GPRESSAVG: 4103200 38.0707 6.46693 16.2436 6.34909 -26.5579 2.93778 16.9214 5.14797 7.68623 TIMING: 4103200 CPU: 13286.8, 0.00311045/step Wall: 13286.8, 0.00311045/step, 0.774849 hours remaining, 235.085938 MB of memory in use. ENERGY: 4103200 3945.0129 20448.5328 14438.5980 270.0133 -202904.4353 2455.1286 0.0000 0.0000 52248.0271 -109099.1225 300.2701 -161347.1496 -108745.5116 299.5080 148.6501 178.8424 760096.0567 6.4464 6.3997 PRESSURE: 4103400 108.244 -146.18 67.9956 -146.18 105.133 -53.5495 67.997 -53.549 -141.87 GPRESSURE: 4103400 159.9 -168.018 42.7755 -215.418 117.536 -37.3606 -46.4266 -4.27888 -105.703 PRESSAVG: 4103400 32.1146 -16.1116 18.6909 -16.1116 -32.7509 40.3193 18.6909 40.3194 -13.5068 GPRESSAVG: 4103400 32.3055 -16.167 20.3281 -18.6213 -32.5413 42.1709 19.1245 39.0448 -14.287 TIMING: 4103400 CPU: 13287.4, 0.00311482/step Wall: 13287.4, 0.00311482/step, 0.775762 hours remaining, 235.085938 MB of memory in use. ENERGY: 4103400 3978.7393 20523.3197 14431.5073 270.2338 -203092.2467 2612.5691 0.0000 0.0000 52059.4416 -109216.4359 299.1863 -161275.8775 -108855.0662 299.5457 23.8355 57.2443 760499.0703 -4.7144 -4.8409 PRESSURE: 4103600 99.7049 -23.8873 -229.306 -23.8879 205.508 13.0211 -229.306 13.0223 -17.2585 GPRESSURE: 4103600 162.999 -126.5 -191.673 -26.1807 206.632 -13.5329 -254.45 161.353 16.6649 PRESSAVG: 4103600 8.9176 -42.3595 -12.0056 -42.3595 -8.85846 5.83351 -12.0056 5.83354 3.00007 GPRESSAVG: 4103600 8.89577 -40.8273 -11.0603 -42.1154 -9.74518 4.45688 -11.0293 7.96366 3.80782 TIMING: 4103600 CPU: 13288, 0.00311185/step Wall: 13288, 0.00311185/step, 0.774851 hours remaining, 235.085938 MB of memory in use. ENERGY: 4103600 3967.6283 20520.1670 14387.8356 246.5136 -203516.2486 2953.8230 0.0000 0.0000 52263.0835 -109177.1976 300.3567 -161440.2811 -108816.4561 299.6341 95.9850 128.7652 760677.4177 1.0197 0.9861 PRESSURE: 4103800 -373.281 -360.628 80.4576 -360.628 -313.786 67.9004 80.4576 67.9002 201.138 GPRESSURE: 4103800 -290.334 -236.167 73.5598 -292.243 -268.046 68.1238 128.405 29.3922 163.323 PRESSAVG: 4103800 -5.96507 -41.4326 4.48356 -41.4326 -28.7619 23.6279 4.48365 23.628 15.037 GPRESSAVG: 4103800 -5.96168 -41.2704 3.27429 -42.4348 -29.597 22.5464 4.13566 24.6122 15.5793 TIMING: 4103800 CPU: 13288.7, 0.00312639/step Wall: 13288.7, 0.00312639/step, 0.778296 hours remaining, 235.085938 MB of memory in use. ENERGY: 4103800 3927.8949 20308.1604 14473.3161 243.0374 -203099.4977 2400.0730 0.0000 0.0000 52179.8199 -109567.1960 299.8781 -161747.0159 -109198.3500 299.5823 -161.9764 -131.6856 760221.5902 -6.5633 -6.6598 PRESSURE: 4104000 153.845 -30.6644 -229.469 -30.6642 -52.5985 146.256 -229.469 146.256 -368.454 GPRESSURE: 4104000 138.896 -48.6643 -213.037 -160.046 14.376 61.2935 -193.735 193.401 -327.263 PRESSAVG: 4104000 6.58528 -63.461 -45.2849 -63.4611 6.92622 -4.04186 -45.285 -4.0418 -2.63101 GPRESSAVG: 4104000 6.08659 -64.3912 -44.9647 -63.0657 8.25527 -2.20995 -44.713 -6.63324 -3.71218 TIMING: 4104000 CPU: 13289.3, 0.00312416/step Wall: 13289.3, 0.00312416/step, 0.777569 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4104000 4049.1257 20519.1307 14478.5110 227.6635 -203059.2956 2403.8372 0.0000 0.0000 51937.6433 -109443.3843 298.4864 -161381.0277 -109088.2756 298.7980 -89.0691 -57.9969 761731.2870 3.6268 3.5432 PRESSURE: 4104200 -331.868 -67.97 -59.1814 -67.97 -352.372 7.87847 -59.1812 7.87865 -353.796 GPRESSURE: 4104200 -287.238 -12.3547 -127.154 -14.2272 -273.72 53.7943 -83.5695 130.14 -391.307 PRESSAVG: 4104200 8.93047 -57.2523 -41.616 -57.2523 -13.1856 24.0644 -41.616 24.0643 26.5415 GPRESSAVG: 4104200 8.96322 -57.8579 -43.0255 -55.0036 -14.0462 24.6592 -41.8984 25.0912 27.58 TIMING: 4104200 CPU: 13289.9, 0.00312232/step Wall: 13289.9, 0.00312232/step, 0.776938 hours remaining, 235.085938 MB of memory in use. ENERGY: 4104200 3933.0408 20424.2918 14519.8757 252.3114 -203102.0532 2347.4922 0.0000 0.0000 52252.2730 -109372.7685 300.2945 -161625.0415 -108998.8179 299.3397 -346.0121 -317.4217 761863.9648 7.4288 7.4990 LDB: ============= START OF LOAD BALANCING ============== 13302.3 LDB: ============== END OF LOAD BALANCING =============== 13302.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13302.3 LDB: ============= START OF LOAD BALANCING ============== 13302.7 LDB: Largest compute 7068 load 0.035893 is 18.3% of average load 0.195702 LDB: Average compute 0.004371 is 2.2% of average load 0.195702 LDB: TIME 13302.7 LOAD: AVG 0.195702 MAX 0.21623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.938 MB LDB: TIME 13302.7 LOAD: AVG 0.195702 MAX 0.21623 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: TIME 13302.7 LOAD: AVG 0.195702 MAX 0.21623 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: ============== END OF LOAD BALANCING =============== 13302.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13302.7 PRESSURE: 4104400 -26.4525 169.309 -8.8388 169.309 297.187 -60.4345 -8.83814 -60.4342 -353.5 GPRESSURE: 4104400 -72.8374 128.019 24.1508 134.087 353.664 -21.0359 16.6182 -47.963 -279.721 PRESSAVG: 4104400 -25.3963 -10.1543 11.9643 -10.1543 31.5744 19.9041 11.9643 19.9041 -6.77211 GPRESSAVG: 4104400 -24.5494 -10.8476 12.3933 -10.357 31.7302 21.15 11.4038 20.4707 -7.50016 TIMING: 4104400 CPU: 13290.6, 0.00318763/step Wall: 13290.6, 0.00318763/step, 0.793012 hours remaining, 235.203125 MB of memory in use. ENERGY: 4104400 4036.0459 20694.3085 14555.9579 256.2900 -203068.5449 2193.1739 0.0000 0.0000 52131.5260 -109201.2427 299.6006 -161332.7687 -108852.3908 299.4792 -27.5886 0.3685 761335.0324 -0.1980 -0.1065 PRESSURE: 4104600 -611.366 -117.644 -209.389 -117.645 -121.207 180.38 -209.388 180.38 81.7179 GPRESSURE: 4104600 -544.568 -121.913 -250.046 -113.411 -107.473 181.089 -224.861 109.627 78.9557 PRESSAVG: 4104600 -47.2825 8.20485 2.75743 8.20483 11.1787 12.8691 2.75743 12.8691 7.93075 GPRESSAVG: 4104600 -47.8439 7.90353 4.46454 9.44073 10.8937 10.5822 2.4584 13.754 8.66483 TIMING: 4104600 CPU: 13291.2, 0.00311233/step Wall: 13291.2, 0.00311233/step, 0.774105 hours remaining, 235.214844 MB of memory in use. ENERGY: 4104600 3928.4224 20598.9261 14515.3984 245.0404 -202876.5285 2370.2952 0.0000 0.0000 52304.5787 -108913.8673 300.5951 -161218.4460 -108558.8635 300.2185 -216.9518 -191.0287 763015.4833 -9.3910 -9.4284 PRESSURE: 4104800 11.7106 -73.9682 152.523 -73.9681 -561.446 254.107 152.523 254.108 321.132 GPRESSURE: 4104800 -19.5731 -33.3247 129.213 -62.7525 -495.411 235.614 118.573 94.989 379.283 PRESSAVG: 4104800 -24.5801 -16.3996 4.72111 -16.3995 4.18552 38.1992 4.72112 38.1992 -19.9611 GPRESSAVG: 4104800 -24.4989 -15.1294 5.26386 -17.9293 5.66899 39.7569 4.11425 36.5451 -21.4132 TIMING: 4104800 CPU: 13291.8, 0.00311923/step Wall: 13291.8, 0.00311923/step, 0.775649 hours remaining, 235.214844 MB of memory in use. ENERGY: 4104800 4006.4878 20456.2911 14473.1894 256.2970 -203006.1901 2434.1564 0.0000 0.0000 52411.6042 -108968.1644 301.2102 -161379.7686 -108602.8780 300.6361 -76.2013 -45.2340 760625.3473 -13.4519 -13.4144 PRESSURE: 4105000 -332.441 -43.025 -226.086 -43.0252 124.556 32.7363 -226.086 32.7367 -405.193 GPRESSURE: 4105000 -228.573 -55.5916 -282.526 10.6569 20.9769 71.7864 -126.88 84.371 -341.397 PRESSAVG: 4105000 6.85571 -15.8722 10.0116 -15.8722 49.8088 30.6211 10.0116 30.6212 4.76319 GPRESSAVG: 4105000 7.03366 -14.7623 8.46008 -17.0064 48.1868 29.1911 11.1858 30.2263 5.49266 TIMING: 4105000 CPU: 13292.4, 0.00312005/step Wall: 13292.4, 0.00312005/step, 0.77568 hours remaining, 235.214844 MB of memory in use. ENERGY: 4105000 3974.8946 20585.1682 14480.8895 230.7644 -202879.3928 2422.5089 0.0000 0.0000 52029.2060 -109155.9612 299.0126 -161185.1673 -108793.0855 300.1518 -204.3595 -182.9977 761880.1429 20.4759 20.2377 PRESSURE: 4105200 -82.1927 -164.917 3.78632 -164.916 -248.812 40.755 3.78707 40.7546 138.29 GPRESSURE: 4105200 -2.2852 -197.15 42.9597 -88.377 -307.545 -3.86005 131.918 26.9228 197.328 PRESSAVG: 4105200 31.7392 35.5629 -58.6972 35.5629 -12.9182 41.7616 -58.6971 41.7617 1.30975 GPRESSAVG: 4105200 30.3154 34.5394 -57.8411 37.7504 -11.8033 40.8762 -58.1574 40.9747 2.36116 TIMING: 4105200 CPU: 13293.1, 0.00313082/step Wall: 13293.1, 0.00313082/step, 0.778183 hours remaining, 235.214844 MB of memory in use. ENERGY: 4105200 3972.7116 20544.5816 14519.7777 245.7198 -202839.8811 2203.6868 0.0000 0.0000 52279.4501 -109073.9535 300.4507 -161353.4036 -108704.6274 299.5023 -64.2382 -37.5009 762014.5924 6.7103 6.9577 PRESSURE: 4105400 -202.579 -13.3234 -138.849 -13.3245 79.9647 170.57 -138.849 170.571 -125.638 GPRESSURE: 4105400 -148.036 2.95554 -169.28 -47.8775 84.6059 139.343 -71.3857 262.768 -105.597 PRESSAVG: 4105400 -49.76 4.29912 16.5402 4.29915 75.8555 36.0166 16.5402 36.0166 32.8109 GPRESSAVG: 4105400 -47.8547 3.92629 14.3353 2.60488 75.0689 37.1245 16.8236 38.5379 31.6941 TIMING: 4105400 CPU: 13293.7, 0.0031189/step Wall: 13293.7, 0.0031189/step, 0.775047 hours remaining, 235.214844 MB of memory in use. ENERGY: 4105400 3993.2551 20772.5966 14458.2218 252.0003 -203388.7915 2734.7830 0.0000 0.0000 52126.0551 -109051.8797 299.5692 -161177.9348 -108698.0733 300.0654 -82.7505 -56.3425 760719.5423 19.6355 19.6361 PRESSURE: 4105600 -117.623 -299.033 -58.8844 -299.033 -14.1871 52.2264 -58.8833 52.2265 -348.973 GPRESSURE: 4105600 -70.3744 -232.046 1.71096 -150.855 110.797 53.5114 -189.3 7.63582 -420.194 PRESSAVG: 4105600 -22.0575 -74.7934 -16.803 -74.7934 50.4497 19.096 -16.803 19.096 17.4563 GPRESSAVG: 4105600 -22.533 -75.6291 -14.4762 -75.1203 51.0661 19.2381 -18.8713 17.9492 17.3237 TIMING: 4105600 CPU: 13294.3, 0.00312266/step Wall: 13294.3, 0.00312266/step, 0.775808 hours remaining, 235.214844 MB of memory in use. ENERGY: 4105600 3982.3309 20577.5238 14445.6389 240.5989 -203289.3068 2602.7925 0.0000 0.0000 52065.4367 -109374.9851 299.2208 -161440.4218 -109018.4431 299.6775 -160.2608 -126.5903 759756.8917 15.2828 15.2856 PRESSURE: 4105800 97.2333 -65.1414 171.661 -65.1408 80.2271 -34.6889 171.661 -34.6883 -417.532 GPRESSURE: 4105800 121.714 -40.73 125.022 -64.1405 30.0608 -10.6032 157.394 -22.4456 -308.949 PRESSAVG: 4105800 19.7255 -22.3969 4.37388 -22.3969 -43.8784 36.9906 4.37391 36.9907 7.56722 GPRESSAVG: 4105800 19.9974 -21.2673 2.22125 -22.0127 -43.062 36.456 4.47073 35.2253 7.21146 TIMING: 4105800 CPU: 13294.9, 0.00312959/step Wall: 13294.9, 0.00312959/step, 0.777356 hours remaining, 235.214844 MB of memory in use. ENERGY: 4105800 4001.5673 20621.5565 14445.1947 239.7862 -203301.6374 2643.1041 0.0000 0.0000 52103.1009 -109247.3278 299.4372 -161350.4287 -108884.0593 299.2181 -80.0239 -52.3913 761392.1535 -5.5286 -5.2844 PRESSURE: 4106000 194.666 186.952 33.7308 186.953 -250.963 18.0465 33.7312 18.047 109.023 GPRESSURE: 4106000 269.049 141.404 25.9143 -15.1927 -280.696 37.9 146.037 74.0098 143.299 PRESSAVG: 4106000 1.92222 -44.0494 -3.62207 -44.0493 0.633478 1.49418 -3.62209 1.49418 -1.45419 GPRESSAVG: 4106000 1.66232 -44.4557 -3.24547 -42.4236 -0.256226 0.0594389 -1.44025 2.76424 -0.83723 TIMING: 4106000 CPU: 13295.6, 0.00311568/step Wall: 13295.6, 0.00311568/step, 0.773726 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4106000 4007.1140 20465.4944 14501.9924 256.6318 -203297.1049 2629.6022 0.0000 0.0000 52210.4081 -109225.8620 300.0539 -161436.2701 -108864.2831 299.3795 17.5754 43.8839 761762.0772 0.3672 0.1896 PRESSURE: 4106200 -274.767 47.9451 -13.3549 47.9452 -93.378 102.727 -13.3547 102.727 -27.1622 GPRESSURE: 4106200 -152.118 11.4306 -98.0379 137.593 -4.72957 34.5216 57.4128 2.76185 -151.796 PRESSAVG: 4106200 -34.8015 -54.5461 -30.0302 -54.5461 30.4855 15.4951 -30.0302 15.4951 -21.4807 GPRESSAVG: 4106200 -34.5587 -55.2351 -28.1955 -54.6206 30.8325 16.8812 -32.0975 15.1453 -22.2357 TIMING: 4106200 CPU: 13296.2, 0.00312234/step Wall: 13296.2, 0.00312234/step, 0.775207 hours remaining, 235.214844 MB of memory in use. ENERGY: 4106200 3959.3227 20445.3978 14423.0826 257.6028 -202887.1545 2342.0388 0.0000 0.0000 52163.0797 -109296.6301 299.7819 -161459.7098 -108943.6784 299.3829 -131.7689 -102.8813 762608.1203 -8.5989 -8.6540 PRESSURE: 4106400 -382.87 -16.3701 -70.8046 -16.3699 -310.117 62.2053 -70.805 62.2055 -85.9981 GPRESSURE: 4106400 -420.25 -93.6395 -61.921 -57.9646 -289.45 64.0618 -113.286 53.0461 35.7177 PRESSAVG: 4106400 48.0473 -13.8135 -26.3488 -13.8135 -81.0471 5.79294 -26.3488 5.79296 -0.430998 GPRESSAVG: 4106400 48.7297 -12.9993 -27.242 -15.528 -82.4915 6.93975 -25.5221 3.62344 0.311311 TIMING: 4106400 CPU: 13296.8, 0.00311042/step Wall: 13296.8, 0.00311042/step, 0.772076 hours remaining, 235.214844 MB of memory in use. ENERGY: 4106400 3987.4670 20735.9321 14445.0062 255.7132 -202773.6948 2299.5485 0.0000 0.0000 51765.7378 -109284.2899 297.4984 -161050.0277 -108914.5620 299.5379 -259.6618 -224.6610 762905.5438 -11.1436 -11.1501 PRESSURE: 4106600 500.17 102.753 -71.651 102.753 739.986 -338.954 -71.6508 -338.955 326.259 GPRESSURE: 4106600 457.763 65.1271 -19.7547 159.791 736.14 -337.732 -18.0249 -231.22 446.749 PRESSAVG: 4106600 21.7839 32.1825 28.6629 32.1825 -18.6918 -8.80122 28.6629 -8.80119 0.420219 GPRESSAVG: 4106600 20.3276 31.2653 28.1219 31.4209 -18.6597 -9.38496 28.5745 -7.15915 1.49783 TIMING: 4106600 CPU: 13297.4, 0.00312316/step Wall: 13297.4, 0.00312316/step, 0.775064 hours remaining, 235.214844 MB of memory in use. ENERGY: 4106600 3964.3167 20445.2196 14446.9215 241.4049 -203842.7520 3051.7978 0.0000 0.0000 52175.9004 -109517.1912 299.8556 -161693.0916 -109152.4939 299.5981 522.1384 546.8840 760332.2073 1.1708 1.0552 PRESSURE: 4106800 -312.761 120.659 22.3636 120.659 258.174 100.543 22.3642 100.543 168.518 GPRESSURE: 4106800 -222.626 -20.537 38.8593 26.8655 269.721 47.7833 -41.4588 52.3471 154.184 PRESSAVG: 4106800 44.5947 -38.9785 0.570425 -38.9785 -11.7381 -24.763 0.570463 -24.7631 26.1559 GPRESSAVG: 4106800 44.8402 -38.4236 0.925245 -37.2966 -11.3443 -26.0431 0.478584 -23.3862 25.5536 TIMING: 4106800 CPU: 13298, 0.00312978/step Wall: 13298, 0.00312978/step, 0.776533 hours remaining, 235.214844 MB of memory in use. ENERGY: 4106800 4000.9935 20553.7788 14482.1055 237.7350 -204012.1480 2744.0925 0.0000 0.0000 52215.8750 -109777.5676 300.0854 -161993.4426 -109409.5043 299.1191 37.9769 67.0931 759339.5869 19.6709 19.6832 PRESSURE: 4107000 31.1223 -51.5145 -7.6205 -51.515 46.9952 -40.2588 -7.62052 -40.2598 32.2399 GPRESSURE: 4107000 85.2559 -113.318 -36.4929 -7.36939 93.8738 -43.9322 -15.1168 47.7551 16.5083 PRESSAVG: 4107000 14.8273 -26.0097 -34.0737 -26.0097 -5.92769 10.0177 -34.0738 10.0177 10.976 GPRESSAVG: 4107000 13.9576 -23.9958 -34.1467 -27.0157 -4.88599 11.9326 -36.1585 8.36763 10.7763 TIMING: 4107000 CPU: 13298.7, 0.00312209/step Wall: 13298.7, 0.00312209/step, 0.774451 hours remaining, 235.214844 MB of memory in use. ENERGY: 4107000 4006.5582 20455.7840 14480.8365 248.3240 -203688.5448 2700.0603 0.0000 0.0000 51807.3385 -109989.6432 297.7375 -161796.9817 -109624.6921 298.5577 36.7858 65.2127 760247.7572 6.6252 6.6160 PRESSURE: 4107200 155.72 -169.373 241.05 -169.373 -16.751 139.25 241.049 139.25 442.839 GPRESSURE: 4107200 197.773 -186.459 167.49 -139.263 8.45965 65.7829 305.909 145.874 470.508 PRESSAVG: 4107200 -18.0689 -63.7516 9.06666 -63.7515 11.5382 38.1668 9.06667 38.1668 -14.5431 GPRESSAVG: 4107200 -16.0045 -67.3622 7.77785 -61.6246 9.33167 34.6896 9.74587 40.0182 -14.4166 TIMING: 4107200 CPU: 13299.3, 0.00312071/step Wall: 13299.3, 0.00312071/step, 0.773935 hours remaining, 235.214844 MB of memory in use. ENERGY: 4107200 4030.2229 20336.9977 14527.2835 246.5963 -203792.6293 2667.8838 0.0000 0.0000 51879.2189 -110104.4263 298.1506 -161983.6452 -109750.7472 298.0257 193.9362 225.5803 759344.2871 -7.0246 -7.0298 PRESSURE: 4107400 32.6994 20.9434 -29.8067 20.9437 169.953 97.2745 -29.8071 97.274 153.351 GPRESSURE: 4107400 8.41634 -4.34701 -99.6964 46.3169 288.996 64.8517 61.7359 71.5574 144.422 PRESSAVG: 4107400 1.66851 -11.5049 62.3981 -11.5049 19.4663 32.8891 62.3981 32.8891 -3.38504 GPRESSAVG: 4107400 1.91869 -9.5427 64.1778 -12.3734 21.1439 35.6384 62.9261 31.8276 -4.64061 TIMING: 4107400 CPU: 13299.9, 0.00312576/step Wall: 13299.9, 0.00312576/step, 0.775015 hours remaining, 235.214844 MB of memory in use. ENERGY: 4107400 3922.1119 20534.1205 14385.4765 255.9532 -204365.3706 3231.2027 0.0000 0.0000 52031.4913 -110005.0145 299.0257 -162036.5058 -109642.1475 298.3169 118.6677 147.2782 759389.7760 5.9166 6.1407 PRESSURE: 4107600 84.6449 -97.5574 -230.016 -97.5576 -170.922 -185.392 -230.015 -185.391 177.466 GPRESSURE: 4107600 40.1746 -91.3784 -289.238 -125.536 1.92775 -230.831 -222.334 -43.9753 131.014 PRESSAVG: 4107600 54.9719 2.96266 -17.6813 2.9626 -42.8087 25.1794 -17.6813 25.1793 11.432 GPRESSAVG: 4107600 54.2088 3.13847 -20.594 2.65801 -41.3004 24.7747 -14.9677 24.04 10.7545 TIMING: 4107600 CPU: 13300.5, 0.00311882/step Wall: 13300.5, 0.00311882/step, 0.773121 hours remaining, 235.214844 MB of memory in use. ENERGY: 4107600 3982.7853 20605.3912 14479.6251 250.4866 -203761.9780 2670.4895 0.0000 0.0000 52075.5691 -109697.6312 299.2790 -161773.2003 -109337.5090 298.8708 30.3962 57.7055 761063.2492 7.8651 7.8877 PRESSURE: 4107800 -484.419 -138.944 -174.146 -138.944 102.901 -164.628 -174.145 -164.628 -220.986 GPRESSURE: 4107800 -363.947 -183.901 -143.04 -93.9216 40.8786 -266.148 -229.506 -71.5756 -179.83 PRESSAVG: 4107800 -27.059 -20.6377 -21.3107 -20.6376 -15.0669 6.88601 -21.3106 6.88604 0.062685 GPRESSAVG: 4107800 -25.4003 -20.3764 -17.7681 -22.0771 -17.3661 6.60556 -24.4674 6.82663 1.02083 TIMING: 4107800 CPU: 13301.2, 0.00311709/step Wall: 13301.2, 0.00311709/step, 0.772519 hours remaining, 235.214844 MB of memory in use. ENERGY: 4107800 4004.4256 20457.5955 14494.2433 254.5414 -203254.4534 2247.8220 0.0000 0.0000 52080.1619 -109715.6637 299.3054 -161795.8256 -109354.0205 298.8645 -200.8345 -167.6327 760231.3888 -14.0211 -13.9152 PRESSURE: 4108000 88.6441 141.624 25.3952 141.624 147.637 -16.499 25.3953 -16.4989 -51.9344 GPRESSURE: 4108000 130.547 37.6786 -28.5543 126.186 135.214 -76.3087 86.9197 53.5686 -6.13608 PRESSAVG: 4108000 -28.8167 -8.75295 16.7006 -8.75292 14.1171 -25.9058 16.7006 -25.9058 6.79808 GPRESSAVG: 4108000 -30.3281 -9.76247 14.8289 -7.06854 14.6489 -23.8641 16.2329 -26.1592 7.77764 TIMING: 4108000 CPU: 13301.8, 0.00311212/step Wall: 13301.8, 0.00311212/step, 0.771114 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4108000 4007.0982 20596.0486 14449.1100 266.5757 -203388.2816 2576.9991 0.0000 0.0000 51660.2932 -109832.1568 296.8924 -161492.4501 -109485.9703 298.2311 61.4488 86.5415 760783.3160 -2.6339 -2.6339 PRESSURE: 4108200 -239.496 -38.6318 -143.777 -38.6313 80.7958 -107.265 -143.777 -107.265 -360.051 GPRESSURE: 4108200 -198.858 -106.588 -119.84 -218.219 114.396 -172.892 -132.262 -58.1837 -353.4 PRESSAVG: 4108200 -30.9101 -25.0089 -49.1222 -25.0089 27.776 -10.0205 -49.1222 -10.0205 18.2015 GPRESSAVG: 4108200 -31.376 -24.1069 -50.2156 -25.4314 27.9705 -10.6984 -48.0951 -11.1488 18.5999 TIMING: 4108200 CPU: 13302.4, 0.00312141/step Wall: 13302.4, 0.00312141/step, 0.773242 hours remaining, 235.214844 MB of memory in use. ENERGY: 4108200 3984.3552 20545.6072 14498.1339 255.5339 -203202.2704 2210.2921 0.0000 0.0000 52022.7378 -109685.6104 298.9754 -161708.3482 -109318.1584 298.3498 -172.9172 -145.9544 759484.7606 5.0225 5.0648 LDB: ============= START OF LOAD BALANCING ============== 13314.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13314.8 LDB: =============== DONE WITH MIGRATION ================ 13314.8 LDB: ============= START OF LOAD BALANCING ============== 13315.1 LDB: Largest compute 7031 load 0.033457 is 17.1% of average load 0.195535 LDB: Average compute 0.004402 is 2.3% of average load 0.195535 LDB: TIME 13315.2 LOAD: AVG 0.195535 MAX 0.217592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 13315.2 LOAD: AVG 0.195535 MAX 0.217592 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 13315.2 LOAD: AVG 0.195535 MAX 0.217592 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 13315.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13315.2 PRESSURE: 4108400 396.826 92.8137 3.94367 92.8135 -50.7742 -20.6333 3.9434 -20.6343 -114.428 GPRESSURE: 4108400 433.589 42.1871 14.2113 169.904 -79.3295 -100.117 158.473 96.4509 -29.2708 PRESSAVG: 4108400 -15.2944 -36.6736 9.27973 -36.6735 -8.6305 13.7679 9.27981 13.768 25.2387 GPRESSAVG: 4108400 -15.5577 -38.1267 10.14 -35.6607 -8.76238 12.7279 10.011 16.9404 25.0637 TIMING: 4108400 CPU: 13303.1, 0.00319322/step Wall: 13303.1, 0.00319322/step, 0.790854 hours remaining, 234.625000 MB of memory in use. ENERGY: 4108400 4008.2299 20473.9179 14533.6912 246.3517 -203660.0145 2631.9087 0.0000 0.0000 51999.8328 -109766.0824 298.8438 -161765.9152 -109401.1574 298.6757 77.2080 108.3297 759051.2214 0.4379 0.2479 PRESSURE: 4108600 -240.234 -1.57265 -0.87321 -1.5728 10.9849 -43.2842 -0.873508 -43.2843 -711.867 GPRESSURE: 4108600 -341.892 -53.9944 10.3688 -112.317 22.3854 11.8105 -38.8418 33.2514 -546.654 PRESSAVG: 4108600 -38.3587 12.7122 41.1409 12.7121 29.5993 -5.02337 41.1408 -5.02337 -3.37438 GPRESSAVG: 4108600 -37.4873 13.1846 41.1471 10.0277 29.7411 -5.74992 40.1904 -4.65476 -4.33491 TIMING: 4108600 CPU: 13303.7, 0.00311581/step Wall: 13303.7, 0.00311581/step, 0.77151 hours remaining, 234.828125 MB of memory in use. ENERGY: 4108600 3963.6870 20406.4521 14482.0941 224.1955 -203506.8172 2355.5735 0.0000 0.0000 52208.2334 -109866.5816 300.0414 -162074.8150 -109493.9602 298.7744 -313.7054 -288.7200 760534.3468 -4.0446 -4.0270 PRESSURE: 4108800 -0.879834 -33.9889 183.753 -33.9876 -381.284 236.397 183.753 236.397 -182.22 GPRESSURE: 4108800 -74.8687 -107.916 197.678 -22.0684 -145.243 255.28 145.925 39.1686 -270.007 PRESSAVG: 4108800 -12.4449 -49.8965 -4.37369 -49.8964 18.5445 -42.718 -4.37363 -42.718 16.7441 GPRESSAVG: 4108800 -13.2737 -50.7353 -4.90549 -46.0264 18.3715 -41.9815 -4.54519 -43.7912 17.8328 TIMING: 4108800 CPU: 13304.3, 0.00311803/step Wall: 13304.3, 0.00311803/step, 0.771886 hours remaining, 234.828125 MB of memory in use. ENERGY: 4108800 4064.6606 20436.4818 14467.5238 252.8066 -203452.9395 2466.6252 0.0000 0.0000 52017.1835 -109747.6580 298.9435 -161764.8415 -109386.5945 298.9828 -188.1279 -163.3732 759243.3102 7.6146 7.6435 PRESSURE: 4109000 -165.484 -6.55709 -262.417 -6.55745 -310.517 29.3915 -262.416 29.3925 -478.739 GPRESSURE: 4109000 -169.742 -42.3996 -314.43 29.4922 -227.055 -63.9643 -149.187 32.9084 -465.634 PRESSAVG: 4109000 -9.06961 6.76005 -80.9471 6.7601 -40.3336 1.53602 -80.9471 1.53604 4.21764 GPRESSAVG: 4109000 -9.11853 6.86673 -80.5837 6.77078 -39.2466 0.666817 -79.7516 0.632324 2.96241 TIMING: 4109000 CPU: 13304.9, 0.00311834/step Wall: 13304.9, 0.00311834/step, 0.77179 hours remaining, 234.828125 MB of memory in use. ENERGY: 4109000 4031.6531 20305.7176 14543.9436 250.7873 -203553.3715 2702.5180 0.0000 0.0000 51961.4042 -109757.3477 298.6229 -161718.7519 -109388.1808 298.2676 -318.2468 -287.4772 761029.2497 -15.0619 -15.1342 PRESSURE: 4109200 84.4258 38.95 165.663 38.9502 -148.033 -143.441 165.664 -143.441 136.45 GPRESSURE: 4109200 158.724 118.884 183.309 0.359213 -160.188 -191.533 74.2903 -146.729 176.605 PRESSAVG: 4109200 -22.1236 -15.077 -36.4862 -15.077 23.6441 -13.3453 -36.4862 -13.3453 -22.4426 GPRESSAVG: 4109200 -22.1489 -14.5327 -35.0801 -16.1587 23.5527 -10.9435 -37.8202 -15.1999 -21.8538 TIMING: 4109200 CPU: 13305.5, 0.00311912/step Wall: 13305.5, 0.00311912/step, 0.771809 hours remaining, 234.828125 MB of memory in use. ENERGY: 4109200 4010.9007 20517.9406 14544.3531 241.2662 -203454.1397 2579.7954 0.0000 0.0000 51945.0274 -109614.8563 298.5288 -161559.8837 -109265.3581 298.7642 24.2810 58.3804 760805.2527 -6.9740 -6.8167 PRESSURE: 4109400 -8.4043 -46.6324 70.8233 -46.6327 221.695 25.2933 70.8237 25.2925 258.752 GPRESSURE: 4109400 76.5479 -87.5531 155.203 73.3605 248.08 54.1653 97.8213 10.2462 219.617 PRESSAVG: 4109400 42.03 -46.1595 -48.5256 -46.1594 -31.1072 6.57044 -48.5256 6.57051 23.1872 GPRESSAVG: 4109400 43.1166 -44.8585 -47.7898 -46.4791 -30.9095 5.62128 -47.0872 7.13835 21.385 TIMING: 4109400 CPU: 13306.2, 0.00312593/step Wall: 13306.2, 0.00312593/step, 0.77332 hours remaining, 235.097656 MB of memory in use. ENERGY: 4109400 3899.4357 20441.6404 14490.4344 248.9015 -203594.2641 2809.2123 0.0000 0.0000 51869.4860 -109835.1537 298.0946 -161704.6397 -109487.6068 298.5414 157.3478 181.4151 762711.6663 11.3700 11.1974 PRESSURE: 4109600 59.4246 -11.5867 -99.1633 -11.5867 14.1187 -233.268 -99.1641 -233.268 -163.162 GPRESSURE: 4109600 118.22 5.86762 -143.269 -52.9325 10.226 -248.841 -145.747 -32.5584 -144.8 PRESSAVG: 4109600 11.3171 -53.0375 14.2833 -53.0376 20.649 13.5301 14.2833 13.5301 -3.28372 GPRESSAVG: 4109600 10.9065 -53.5497 11.5647 -52.5529 20.0358 14.7692 14.2346 16.7232 -2.18367 TIMING: 4109600 CPU: 13306.8, 0.00313004/step Wall: 13306.8, 0.00313004/step, 0.774163 hours remaining, 235.097656 MB of memory in use. ENERGY: 4109600 3984.3360 20441.3477 14471.0171 257.7526 -203114.6038 2455.6806 0.0000 0.0000 51794.7424 -109709.7275 297.6651 -161504.4699 -109345.1281 298.4826 -29.8729 -5.4513 761134.2425 9.5608 9.5862 PRESSURE: 4109800 -92.9192 -96.9948 73.968 -96.9957 -99.7586 -2.77213 73.9669 -2.77209 58.1164 GPRESSURE: 4109800 -63.1457 -93.0441 112.879 -31.0966 -31.9809 -39.8311 60.0559 82.3306 66.1314 PRESSAVG: 4109800 -18.2826 -33.2312 8.57055 -33.2312 34.8082 -42.9563 8.57055 -42.9563 -0.142486 GPRESSAVG: 4109800 -19.9511 -34.004 9.21988 -33.9264 36.1486 -45.4998 7.91603 -43.6776 0.643954 TIMING: 4109800 CPU: 13307.4, 0.00312092/step Wall: 13307.4, 0.00312092/step, 0.771735 hours remaining, 235.097656 MB of memory in use. ENERGY: 4109800 3979.8421 20606.2774 14471.3586 234.7829 -203185.9059 2319.4065 0.0000 0.0000 51859.8986 -109714.3399 298.0395 -161574.2385 -109361.5154 298.4202 -44.8538 -9.6651 759904.6933 5.4610 5.6138 PRESSURE: 4110000 110.509 -14.8533 -151.673 -14.8528 -19.1882 91.2918 -151.673 91.2926 502.647 GPRESSURE: 4110000 158.755 -104.147 -175.441 -34.0998 17.0067 246.233 -172.504 -25.6577 512.521 PRESSAVG: 4110000 34.7702 3.59693 -18.805 3.59699 0.714375 27.0197 -18.805 27.0198 -0.254911 GPRESSAVG: 4110000 35.7954 2.20032 -18.6049 3.74225 0.23803 29.0228 -18.3196 27.0875 -1.03668 TIMING: 4110000 CPU: 13308, 0.0031107/step Wall: 13308, 0.0031107/step, 0.769033 hours remaining, 235.097656 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: 4110000 3961.7106 20555.7159 14417.6038 256.0302 -203808.4894 2806.0917 0.0000 0.0000 51972.3963 -109838.9409 298.6861 -161811.3372 -109481.9283 298.6193 197.9894 229.4275 759952.0025 11.7432 11.6656 PRESSURE: 4110200 34.6865 -17.4247 -51.5378 -17.4242 -271.514 173.347 -51.538 173.347 -491.724 GPRESSURE: 4110200 -96.0953 -54.4814 -97.214 59.0311 -201.12 142.98 -113.807 34.8766 -352.153 PRESSAVG: 4110200 -68.4513 -18.3899 -52.782 -18.3899 61.5934 64.3288 -52.782 64.3289 -19.136 GPRESSAVG: 4110200 -68.2073 -17.5392 -53.7227 -17.1553 60.3824 63.7255 -52.5312 65.3818 -18.2834 TIMING: 4110200 CPU: 13308.7, 0.00311647/step Wall: 13308.7, 0.00311647/step, 0.770287 hours remaining, 235.097656 MB of memory in use. ENERGY: 4110200 3960.5492 20518.1031 14396.6381 234.3568 -203271.7482 2599.7490 0.0000 0.0000 51804.4676 -109757.8845 297.7210 -161562.3521 -109392.3436 298.2543 -242.8506 -216.4562 763183.0071 -8.6646 -8.7027 PRESSURE: 4110400 -301.255 -86.1085 300.861 -86.1092 4.2311 -257.283 300.861 -257.283 -220.881 GPRESSURE: 4110400 -158.997 -114.166 298.163 -31.3732 -5.3204 -240.863 246.217 -236.434 -269.72 PRESSAVG: 4110400 -5.80638 -22.8687 -23.9616 -22.8687 -52.2787 16.5373 -23.9616 16.5373 28.1634 GPRESSAVG: 4110400 -5.23291 -22.5581 -22.7497 -22.9432 -53.4101 16.8149 -23.5789 15.1609 28.7455 TIMING: 4110400 CPU: 13309.3, 0.00311619/step Wall: 13309.3, 0.00311619/step, 0.770045 hours remaining, 235.097656 MB of memory in use. ENERGY: 4110400 4052.0058 20441.8408 14424.2046 256.1195 -203003.0826 2506.7253 0.0000 0.0000 51751.1853 -109571.0013 297.4148 -161322.1865 -109211.1606 298.5410 -172.6348 -144.6790 762587.4349 -9.9739 -9.9658 PRESSURE: 4110600 44.5653 -100.839 -169.258 -100.839 240.218 143.189 -169.258 143.19 447.679 GPRESSURE: 4110600 91.6255 -180.958 -130.984 -133.98 245.164 129.006 -275.979 131.62 461.52 PRESSAVG: 4110600 15.6981 -22.7657 -26.8907 -22.7657 9.62678 -36.3795 -26.8907 -36.3795 -7.00478 GPRESSAVG: 4110600 14.5124 -22.0079 -28.2647 -26.5006 12.3617 -35.8969 -26.8796 -35.2918 -8.58355 TIMING: 4110600 CPU: 13309.9, 0.00311813/step Wall: 13309.9, 0.00311813/step, 0.770352 hours remaining, 235.097656 MB of memory in use. ENERGY: 4110600 3938.2372 20403.6358 14478.9005 226.3741 -203640.2798 2819.4285 0.0000 0.0000 52303.8043 -109469.8993 300.5907 -161773.7037 -109095.5176 299.0855 244.1543 266.1033 761519.8959 6.1067 6.0968 PRESSURE: 4110800 -317.077 183.951 -53.5536 183.95 -40.4773 -185.717 -53.5538 -185.717 163.082 GPRESSURE: 4110800 -260.95 111.022 -28.3496 257.744 39.3461 -73.052 23.4497 -157.775 104.709 PRESSAVG: 4110800 -14.3289 -31.6599 -14.5784 -31.6599 6.985 -18.8785 -14.5784 -18.8785 16.9761 GPRESSAVG: 4110800 -13.0336 -33.7603 -15.2306 -26.3496 6.84169 -18.9506 -13.5456 -20.7376 15.6757 TIMING: 4110800 CPU: 13310.5, 0.00310194/step Wall: 13310.5, 0.00310193/step, 0.766178 hours remaining, 235.097656 MB of memory in use. ENERGY: 4110800 3939.4871 20586.4780 14495.6379 221.8607 -203766.9876 2887.1573 0.0000 0.0000 52122.8408 -109513.5258 299.5507 -161636.3666 -109143.7331 299.1215 -64.8243 -38.9650 761971.5581 3.2107 3.1613 PRESSURE: 4111000 11.3248 71.3714 -60.558 71.3701 242.532 37.2175 -60.5579 37.2177 -1.82653 GPRESSURE: 4111000 92.2359 -34.1993 -52.8633 111.222 229.183 137.865 -15.9456 -151.396 40.7426 PRESSAVG: 4111000 35.9112 31.8023 -72.7493 31.8023 -16.9101 -19.9127 -72.7492 -19.9127 16.7373 GPRESSAVG: 4111000 35.3457 33.1801 -70.7169 29.7321 -18.4991 -22.2149 -73.7789 -18.4291 19.239 TIMING: 4111000 CPU: 13311.2, 0.00311512/step Wall: 13311.2, 0.00311512/step, 0.76926 hours remaining, 235.097656 MB of memory in use. ENERGY: 4111000 3959.9691 20551.8362 14511.6946 274.3429 -203220.4832 2617.3018 0.0000 0.0000 52001.8601 -109303.4785 298.8554 -161305.3386 -108940.4597 298.9723 84.0102 120.7206 763173.5336 11.9128 12.0285 PRESSURE: 4111200 252.719 -175.435 -114.485 -175.435 131.684 -32.0648 -114.485 -32.064 -71.8912 GPRESSURE: 4111200 344.172 -169.935 -162.547 -66.7122 170.071 -93.9584 -172.546 -5.58198 -143.992 PRESSAVG: 4111200 6.96308 10.4727 -10.0292 10.4727 26.6023 -23.7997 -10.0293 -23.7997 -10.5498 GPRESSAVG: 4111200 8.39837 10.7435 -11.9202 8.83031 26.6191 -23.7195 -12.2952 -23.2412 -11.6799 TIMING: 4111200 CPU: 13311.8, 0.00311837/step Wall: 13311.8, 0.00311837/step, 0.769892 hours remaining, 235.097656 MB of memory in use. ENERGY: 4111200 3963.1915 20670.3448 14494.7462 242.3049 -203563.2666 2887.0740 0.0000 0.0000 51846.9888 -109458.6164 297.9654 -161305.6052 -109101.0218 299.4988 104.1705 123.4172 762840.4356 7.6719 7.7792 PRESSURE: 4111400 -27.0919 129.454 -111.074 129.454 -273.038 22.3858 -111.073 22.3855 -348.43 GPRESSURE: 4111400 -104.097 141.985 -59.1093 134.015 -157.156 1.3477 -65.7546 -62.1169 -297.724 PRESSAVG: 4111400 -12.6545 18.2233 -20.8026 18.2234 -5.29476 0.246927 -20.8027 0.247021 -8.84339 GPRESSAVG: 4111400 -12.8573 19.8974 -19.2102 17.7536 -4.76292 2.24618 -19.5365 -0.878754 -8.39403 TIMING: 4111400 CPU: 13312.4, 0.00312933/step Wall: 13312.4, 0.00312933/step, 0.772422 hours remaining, 235.152344 MB of memory in use. ENERGY: 4111400 4029.8651 20458.8235 14498.3800 240.0748 -203389.1113 2678.9876 0.0000 0.0000 52181.0902 -109301.8902 299.8854 -161482.9804 -108933.4915 299.4878 -216.1867 -186.3258 763315.1675 -8.9309 -8.6714 PRESSURE: 4111600 -652.381 89.9793 70.662 89.9793 -163.06 -88.3713 70.6623 -88.371 -301.103 GPRESSURE: 4111600 -475.372 121.331 36.8231 172.239 -255.783 -132.638 133.769 -53.8826 -302.558 PRESSAVG: 4111600 1.27419 19.9121 -22.1094 19.9121 -7.32734 -31.8424 -22.1094 -31.8425 13.2809 GPRESSAVG: 4111600 0.306494 17.9805 -22.261 22.9325 -5.85875 -32.7885 -22.4361 -32.281 12.8621 TIMING: 4111600 CPU: 13313, 0.00311963/step Wall: 13313, 0.00311963/step, 0.769854 hours remaining, 235.152344 MB of memory in use. ENERGY: 4111600 4036.1315 20573.3728 14496.3207 253.6045 -202846.3003 2252.3093 0.0000 0.0000 52105.0944 -109129.4671 299.4487 -161234.5615 -108774.0120 299.2063 -372.1813 -344.5709 763504.6456 2.4093 2.4366 PRESSURE: 4111800 -189.929 88.639 -218.191 88.6393 129.46 242.749 -218.19 242.75 -470.346 GPRESSURE: 4111800 -215.074 165.55 -212.071 -55.5543 182.603 247.636 -171.618 146.941 -416.118 PRESSAVG: 4111800 43.7104 -4.91388 9.32199 -4.91387 -22.6927 -9.12655 9.322 -9.12655 10.6171 GPRESSAVG: 4111800 44.4061 -4.56591 9.843 -7.76687 -25.1396 -9.30325 8.90876 -10.8032 10.9512 TIMING: 4111800 CPU: 13313.7, 0.00311846/step Wall: 13313.7, 0.00311846/step, 0.769394 hours remaining, 235.152344 MB of memory in use. ENERGY: 4111800 4050.1397 20654.5481 14567.2768 258.8380 -203857.6668 2870.2389 0.0000 0.0000 51958.4620 -109498.1633 298.6060 -161456.6253 -109142.3250 300.0518 -176.9383 -149.5295 762576.6539 10.5449 10.0726 PRESSURE: 4112000 -224.53 -68.8397 -216.731 -68.8404 -61.5032 -118.016 -216.731 -118.016 -172.753 GPRESSURE: 4112000 -144.082 -73.1102 -130.395 -65.4039 -111.185 -121.825 -273.122 -74.2951 -134.802 PRESSAVG: 4112000 24.8205 1.34182 30.0114 1.34181 -11.0795 -11.9652 30.0114 -11.9652 -4.65814 GPRESSAVG: 4112000 24.6968 0.860311 28.4154 2.69856 -10.8593 -11.4397 29.7465 -10.135 -4.33425 TIMING: 4112000 CPU: 13314.3, 0.00311306/step Wall: 13314.3, 0.00311306/step, 0.767889 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4112000 4005.8079 20547.3893 14456.1486 258.9089 -203532.4321 2616.3816 0.0000 0.0000 52030.4960 -109617.2996 299.0200 -161647.7956 -109253.0071 299.0189 -152.9289 -130.0229 761027.6794 3.0276 3.1678 PRESSURE: 4112200 116.068 -45.2242 47.0942 -45.2232 180.158 18.419 47.0942 18.4189 190.484 GPRESSURE: 4112200 213.749 -8.217 114.436 -8.81819 124.286 -17.4862 34.1452 -82.5373 212.82 PRESSAVG: 4112200 87.362 -41.7015 16.5881 -41.7015 -54.1234 -36.6743 16.5881 -36.6743 -14.6302 GPRESSAVG: 4112200 86.9203 -42.2285 16.4031 -41.8196 -53.048 -37.2551 19.4653 -37.2269 -14.956 TIMING: 4112200 CPU: 13314.9, 0.00312911/step Wall: 13314.9, 0.00312911/step, 0.771673 hours remaining, 235.152344 MB of memory in use. ENERGY: 4112200 4068.9132 20336.7452 14557.9196 228.6177 -203735.4310 2758.1562 0.0000 0.0000 52118.2029 -109666.8763 299.5240 -161785.0792 -109303.7461 298.7680 162.2370 183.6182 760242.6423 6.2028 6.3054 LDB: ============= START OF LOAD BALANCING ============== 13327.3 LDB: ============== END OF LOAD BALANCING =============== 13327.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13327.3 LDB: ============= START OF LOAD BALANCING ============== 13327.6 LDB: Largest compute 7036 load 0.032456 is 16.6% of average load 0.195615 LDB: Average compute 0.004389 is 2.2% of average load 0.195615 LDB: TIME 13327.6 LOAD: AVG 0.195615 MAX 0.215375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.656 MB LDB: TIME 13327.6 LOAD: AVG 0.195615 MAX 0.215375 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 13327.6 LOAD: AVG 0.195615 MAX 0.215375 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 13327.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13327.6 PRESSURE: 4112400 50.7123 6.21603 182.383 6.21593 -229.129 40.8458 182.383 40.8446 -536.486 GPRESSURE: 4112400 22.722 0.523977 116.724 -4.85501 -226.476 105.445 81.6668 26.0415 -419.861 PRESSAVG: 4112400 92.3601 7.77449 -29.0168 7.77452 -119.992 -29.1729 -29.0168 -29.173 -9.15298 GPRESSAVG: 4112400 93.1938 7.01868 -28.4797 9.17994 -119.587 -28.5812 -31.6804 -29.0306 -10.1339 TIMING: 4112400 CPU: 13315.5, 0.00318486/step Wall: 13315.5, 0.00318486/step, 0.785245 hours remaining, 236.609375 MB of memory in use. ENERGY: 4112400 4014.1491 20542.5837 14450.6295 233.3984 -203081.1196 2285.1047 0.0000 0.0000 51785.0599 -109770.1944 297.6095 -161555.2543 -109419.1384 298.4663 -238.3006 -207.8720 762791.0682 -12.2618 -12.1758 PRESSURE: 4112600 -347.625 25.8803 -49.7718 25.8798 -247.474 -35.8987 -49.7719 -35.8998 -170.888 GPRESSURE: 4112600 -249.759 55.9084 7.17355 -38.0099 -204.94 -3.97745 -37.6722 30.3029 -191.273 PRESSAVG: 4112600 -12.6362 4.52884 15.132 4.52882 9.0314 -0.70867 15.132 -0.708721 13.4749 GPRESSAVG: 4112600 -13.6671 5.53371 15.0175 2.3528 10.4918 -1.19343 14.3744 1.51734 13.3391 TIMING: 4112600 CPU: 13316.2, 0.00312998/step Wall: 13316.2, 0.00312998/step, 0.771541 hours remaining, 236.808594 MB of memory in use. ENERGY: 4112600 4026.8528 20526.2624 14470.4601 254.4539 -203673.0791 2769.1544 0.0000 0.0000 51768.3624 -109857.5332 297.5135 -161625.8955 -109511.9991 298.1666 -255.3288 -215.3239 762989.0124 3.2900 3.3879 PRESSURE: 4112800 24.1497 -108.784 118.249 -108.785 -64.4373 12.6208 118.248 12.6232 -14.1023 GPRESSURE: 4112800 44.3392 15.8693 161.686 57.9447 -21.4072 76.7168 99.1618 -62.6422 -2.28973 PRESSAVG: 4112800 0.193048 -14.5976 -49.8825 -14.5977 -18.033 -18.2625 -49.8825 -18.2626 0.131925 GPRESSAVG: 4112800 1.26514 -15.1918 -50.5611 -13.2909 -19.1467 -18.9538 -48.0342 -19.0964 0.186119 TIMING: 4112800 CPU: 13316.8, 0.00313361/step Wall: 13316.8, 0.00313361/step, 0.772261 hours remaining, 236.808594 MB of memory in use. ENERGY: 4112800 4028.5132 20466.8352 14495.4798 240.5603 -203823.2096 2755.9853 0.0000 0.0000 51859.4551 -109976.3809 298.0370 -161835.8359 -109613.3480 297.8502 -18.1300 6.8808 762319.8960 -5.9027 -5.8985 PRESSURE: 4113000 438.343 -42.2229 74.368 -42.2237 58.3264 68.1755 74.3681 68.1765 568.154 GPRESSURE: 4113000 446.879 -34.4228 41.2616 -52.7036 112.138 98.3932 99.9479 49.8772 589.836 PRESSAVG: 4113000 -2.85476 -47.7611 -32.9323 -47.7611 29.2947 10.3784 -32.9323 10.3784 3.98675 GPRESSAVG: 4113000 -4.34005 -48.0957 -32.7556 -47.5699 30.5731 11.6322 -33.3137 11.8029 4.64305 TIMING: 4113000 CPU: 13317.4, 0.00313391/step Wall: 13317.4, 0.00313391/step, 0.772162 hours remaining, 236.808594 MB of memory in use. ENERGY: 4113000 3945.9592 20512.4751 14447.3906 245.9173 -204517.0763 3225.6916 0.0000 0.0000 52004.7327 -110134.9099 298.8719 -162139.6426 -109775.8832 297.8323 354.9414 382.9512 760923.4749 10.1422 10.2920 PRESSURE: 4113200 221.041 -76.3245 -34.9664 -76.3252 -278.143 -53.0787 -34.9663 -53.0799 23.0386 GPRESSURE: 4113200 206.535 -36.6378 21.9498 -5.59075 -143.152 0.538952 -0.864697 -28.0745 -6.81218 PRESSAVG: 4113200 11.1244 -34.1147 -22.4519 -34.1147 -4.64128 8.75406 -22.4519 8.754 21.3975 GPRESSAVG: 4113200 12.3819 -30.5921 -22.7675 -35.7208 -5.05342 10.0022 -21.5035 6.75337 20.7308 TIMING: 4113200 CPU: 13318, 0.00313708/step Wall: 13318, 0.00313708/step, 0.772768 hours remaining, 236.808594 MB of memory in use. ENERGY: 4113200 3930.8171 20595.7465 14521.1581 270.3938 -203502.8429 2377.2587 0.0000 0.0000 51982.9441 -109824.5245 298.7467 -161807.4686 -109463.3166 299.0080 -11.3545 18.8569 760441.4774 9.2936 9.3531 PRESSURE: 4113400 201.057 89.505 187.39 89.5034 558.137 -84.0368 187.389 -84.0367 289.363 GPRESSURE: 4113400 287.632 34.2613 223.676 -47.7997 510.401 -85.8481 177.466 -38.4624 336.56 PRESSAVG: 4113400 31.9688 -39.642 38.5423 -39.642 -30.4839 -16.4156 38.5423 -16.4156 -20.4106 GPRESSAVG: 4113400 32.9158 -41.3252 38.0331 -37.7941 -31.9292 -17.4254 37.2707 -15.1004 -19.7745 TIMING: 4113400 CPU: 13318.7, 0.00315165/step Wall: 13318.7, 0.00315165/step, 0.776181 hours remaining, 236.808594 MB of memory in use. ENERGY: 4113400 4049.4826 20343.2718 14511.9483 253.0310 -203522.1432 2851.3923 0.0000 0.0000 51839.7197 -109673.2975 297.9236 -161513.0172 -109314.5602 298.9078 349.5188 378.1976 761065.4078 -6.3086 -6.2627 PRESSURE: 4113600 -224.572 66.44 -216.266 66.4403 191.318 55.4882 -216.266 55.4878 -226.97 GPRESSURE: 4113600 -160.237 128.738 -294.698 126.499 159.857 41.9079 -150.869 48.6654 -180.059 PRESSAVG: 4113600 -37.9785 -47.0458 -8.24062 -47.0458 -4.91228 3.63243 -8.2406 3.63255 8.93549 GPRESSAVG: 4113600 -37.3718 -47.8145 -8.14693 -46.5514 -4.45632 2.59554 -6.8188 5.25797 7.92949 TIMING: 4113600 CPU: 13319.3, 0.00313541/step Wall: 13319.3, 0.00313541/step, 0.772008 hours remaining, 236.808594 MB of memory in use. ENERGY: 4113600 3952.8299 20370.2155 14415.5244 230.1153 -203697.2792 2998.0589 0.0000 0.0000 51811.8309 -109918.7042 297.7633 -161730.5351 -109553.9660 298.8699 -86.7413 -60.1465 763450.2689 -11.3184 -11.2995 PRESSURE: 4113800 -31.709 -90.5948 -40.4436 -90.5951 40.5965 83.8849 -40.4438 83.8849 70.1574 GPRESSURE: 4113800 -73.0878 -104.579 -9.05913 -101.443 99.1839 12.5697 -107.435 92.4314 132.061 PRESSAVG: 4113800 -36.1354 -7.79643 -32.373 -7.79643 -25.0302 -14.8364 -32.373 -14.8364 -10.8541 GPRESSAVG: 4113800 -38.2806 -7.38931 -31.6621 -6.36514 -24.1387 -13.2376 -34.7291 -16.6573 -10.3275 TIMING: 4113800 CPU: 13319.9, 0.00315606/step Wall: 13319.9, 0.00315605/step, 0.776915 hours remaining, 236.808594 MB of memory in use. ENERGY: 4113800 3998.4585 20243.7622 14420.3007 255.3670 -203398.9074 2622.9903 0.0000 0.0000 51850.9031 -110007.1256 297.9879 -161858.0287 -109656.5485 297.8588 26.3483 52.7192 762001.2078 -24.0066 -24.2489 PRESSURE: 4114000 228.761 74.5786 -222.484 74.5772 118.923 19.3336 -222.485 19.3333 -243.472 GPRESSURE: 4114000 254.678 135.429 -246.704 -30.8404 174.548 47.4674 -303.222 -17.2773 -237.396 PRESSAVG: 4114000 4.8804 -20.9477 31.8216 -20.9477 -11.7419 38.3777 31.8216 38.3777 5.58891 GPRESSAVG: 4114000 4.82532 -20.5859 32.3401 -23.5711 -10.4784 39.3106 33.142 36.3766 4.02102 TIMING: 4114000 CPU: 13320.6, 0.00313563/step Wall: 13320.6, 0.00313563/step, 0.771714 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 4034.8010 20377.6426 14504.5534 249.0979 -203953.8394 2829.7113 0.0000 0.0000 51930.5466 -110027.4867 298.4456 -161958.0333 -109670.5499 297.7126 34.7374 63.9433 760674.8317 -0.4242 -0.5440 PRESSURE: 4114200 -229.56 -21.8271 184.694 -21.8267 -82.1834 -74.9762 184.694 -74.9766 -199.244 GPRESSURE: 4114200 -179.851 -47.4979 134.301 -18.1527 -119.831 -76.9104 272.815 -185.959 -129.17 PRESSAVG: 4114200 68.4031 -14.4523 -24.6767 -14.4523 -12.411 39.0421 -24.6767 39.0422 -4.28515 GPRESSAVG: 4114200 69.467 -14.1403 -24.6224 -13.6033 -14.7794 36.8667 -24.746 41.0125 -2.9872 TIMING: 4114200 CPU: 13321.2, 0.00314837/step Wall: 13321.2, 0.00314837/step, 0.774675 hours remaining, 236.808594 MB of memory in use. ENERGY: 4114200 3997.4003 20414.8074 14467.1565 258.0376 -203294.2957 2247.9467 0.0000 0.0000 51802.1121 -110106.8352 297.7074 -161908.9473 -109753.4180 298.2964 -170.3292 -142.9508 761949.3857 17.2356 17.2335 PRESSURE: 4114400 -548.729 -83.623 -189.073 -83.6228 -330.517 -13.1326 -189.073 -13.1324 -455.723 GPRESSURE: 4114400 -452.004 -105.948 -127.804 -77.3607 -340.98 -69.6675 -103.801 8.26547 -456.283 PRESSAVG: 4114400 -40.9516 -72.2849 -72.2549 -72.2849 23.3621 61.6254 -72.255 61.6255 -10.7225 GPRESSAVG: 4114400 -42.8741 -70.188 -70.9795 -76.1194 24.7208 62.4587 -72.9766 61.9606 -10.2554 TIMING: 4114400 CPU: 13321.8, 0.00312961/step Wall: 13321.8, 0.00312961/step, 0.769885 hours remaining, 236.808594 MB of memory in use. ENERGY: 4114400 3993.5804 20440.6848 14560.6537 231.1940 -203406.4477 2362.5280 0.0000 0.0000 51867.9785 -109949.8283 298.0860 -161817.8068 -109590.8296 297.9163 -444.9897 -416.4224 762632.4150 -9.4373 -9.4696 PRESSURE: 4114600 -10.2035 -120.164 134.67 -120.162 -190.759 -46.5162 134.671 -46.5158 331.364 GPRESSURE: 4114600 92.028 -50.2228 146.884 -39.8 -185.355 -172.748 143.335 37.7218 304.49 PRESSAVG: 4114600 -9.78627 18.1475 -14.2237 18.1475 -13.0902 69.1648 -14.2236 69.1648 11.6449 GPRESSAVG: 4114600 -9.46042 16.3281 -15.1121 22.6014 -13.4188 68.8644 -10.7839 67.9396 11.7137 TIMING: 4114600 CPU: 13322.4, 0.00312206/step Wall: 13322.4, 0.00312206/step, 0.767852 hours remaining, 236.808594 MB of memory in use. ENERGY: 4114600 4003.7162 20404.7142 14441.7214 236.3425 -203879.0282 2756.8811 0.0000 0.0000 52101.8369 -109933.8160 299.4300 -162035.6529 -109564.5385 298.3937 43.4673 70.3877 761103.7670 -3.7438 -3.7218 PRESSURE: 4114800 -91.6072 12.1158 180.297 12.1155 36.5743 -169.607 180.297 -169.609 -88.9437 GPRESSURE: 4114800 -138.875 -27.3904 183.126 -94.6147 68.4372 -164.177 27.8467 33.5771 15.7581 PRESSAVG: 4114800 5.82247 -48.9686 -37.2935 -48.9687 -0.260491 -9.50954 -37.2935 -9.50952 1.66098 GPRESSAVG: 4114800 5.11811 -50.8735 -36.689 -49.8821 0.0112245 -8.39623 -39.4291 -8.42633 1.77811 TIMING: 4114800 CPU: 13323.1, 0.00312729/step Wall: 13323.1, 0.00312729/step, 0.768967 hours remaining, 236.808594 MB of memory in use. ENERGY: 4114800 3978.1876 20506.3532 14391.7264 237.0672 -203390.4373 2608.5884 0.0000 0.0000 51687.0820 -109981.4325 297.0464 -161668.5145 -109626.3668 298.5309 -47.9922 -18.2264 761679.3328 2.4077 2.3025 PRESSURE: 4115000 105.129 -145.884 108.143 -145.885 -141.732 109.448 108.143 109.448 94.1311 GPRESSURE: 4115000 98.3091 -54.5059 96.9922 -64.4072 -90.5962 114.293 187.599 45.8948 135.98 PRESSAVG: 4115000 -23.7442 -82.4107 38.1522 -82.4107 -32.3178 48.3814 38.1522 48.3814 -11.4029 GPRESSAVG: 4115000 -24.1688 -80.0096 37.8866 -82.1601 -31.8004 47.492 38.3736 49.2082 -11.0247 TIMING: 4115000 CPU: 13323.7, 0.00312281/step Wall: 13323.7, 0.00312281/step, 0.767691 hours remaining, 236.808594 MB of memory in use. ENERGY: 4115000 3965.6222 20532.4791 14439.9643 252.0133 -203784.7378 2795.7749 0.0000 0.0000 51603.9182 -110194.9657 296.5684 -161798.8839 -109834.9074 297.6623 19.1762 47.8975 760969.7111 -22.4883 -22.3313 PRESSURE: 4115200 68.3146 -8.64304 -136.461 -8.64347 -395.359 -72.5183 -136.461 -72.5191 143.483 GPRESSURE: 4115200 -23.059 108.535 -124.12 -9.33397 -289.732 -72.9373 -133.904 76.9305 215.731 PRESSAVG: 4115200 -6.86641 -25.2522 -10.5599 -25.2522 -3.41375 35.5194 -10.5598 35.5195 19.3877 GPRESSAVG: 4115200 -6.34827 -23.8047 -10.5688 -26.7584 -2.95233 35.2622 -9.38861 33.1755 18.4086 TIMING: 4115200 CPU: 13324.3, 0.00313571/step Wall: 13324.3, 0.00313571/step, 0.770688 hours remaining, 236.808594 MB of memory in use. ENERGY: 4115200 3969.1923 20440.3938 14487.1140 250.7899 -203373.2568 2447.6878 0.0000 0.0000 51623.9822 -110154.0968 296.6837 -161778.0790 -109787.5233 297.7949 -61.1872 -32.3535 760440.0280 3.0358 3.0360 PRESSURE: 4115400 117.887 68.9129 52.7844 68.9121 146.262 -191.449 52.7834 -191.449 365.468 GPRESSURE: 4115400 149.045 54.9208 116.462 126.323 190.69 -242.202 -70.2927 -128.027 374.728 PRESSAVG: 4115400 -38.9804 -30.935 6.49613 -30.9351 2.11719 0.68554 6.49614 0.685486 -8.67001 GPRESSAVG: 4115400 -38.9483 -31.1182 5.00175 -30.5421 0.871677 0.107626 6.75249 1.06194 -7.70821 TIMING: 4115400 CPU: 13324.9, 0.00312921/step Wall: 13324.9, 0.00312921/step, 0.768916 hours remaining, 236.808594 MB of memory in use. ENERGY: 4115400 3934.7567 20564.7154 14472.8677 240.7246 -203846.3873 2706.8001 0.0000 0.0000 51803.0101 -110123.5126 297.7126 -161926.5227 -109759.1690 298.0782 209.8724 238.1543 760235.3278 -15.1778 -15.2616 PRESSURE: 4115600 -177.814 4.03366 354.205 4.03394 62.9894 54.3641 354.204 54.3628 267.392 GPRESSURE: 4115600 -144.233 -65.8235 400.969 -70.7041 19.5902 60.7378 198.337 86.0835 343.825 PRESSAVG: 4115600 -32.6155 -35.0038 66.8034 -35.0037 -3.75964 -3.88069 66.8034 -3.88072 24.0582 GPRESSAVG: 4115600 -31.8806 -36.1334 69.1308 -35.0443 -2.82438 -5.28405 62.7105 -2.83389 22.9294 TIMING: 4115600 CPU: 13325.6, 0.00313537/step Wall: 13325.6, 0.00313537/step, 0.770255 hours remaining, 236.808594 MB of memory in use. ENERGY: 4115600 4030.7280 20466.6964 14518.5687 248.8784 -204015.2356 2642.6822 0.0000 0.0000 51740.8057 -110366.8762 297.3551 -162107.6819 -110010.4864 297.0597 50.8556 73.0608 758683.1298 -4.1057 -3.9252 PRESSURE: 4115800 -161.097 -49.6304 173.858 -49.6299 -256.299 -193.162 173.857 -193.161 283.399 GPRESSURE: 4115800 -144.989 27.092 259.016 -50.0641 -185.218 -242.218 97.3212 -163.045 284.847 PRESSAVG: 4115800 -20.8585 10.3028 12.7342 10.3028 28.4907 -21.8442 12.7342 -21.8442 4.74021 GPRESSAVG: 4115800 -21.1441 10.4756 10.9473 9.93956 28.8281 -20.3233 13.3719 -23.6521 3.9212 TIMING: 4115800 CPU: 13326.2, 0.00313133/step Wall: 13326.2, 0.00313133/step, 0.769088 hours remaining, 236.808594 MB of memory in use. ENERGY: 4115800 3979.6755 20440.3993 14507.7922 252.8737 -203635.0080 2576.1882 0.0000 0.0000 51597.5796 -110280.4995 296.5320 -161878.0791 -109936.7719 297.1716 -44.6655 -15.1201 760818.9731 4.1241 3.8684 PRESSURE: 4116000 165.009 -92.531 71.9166 -92.5307 257.381 169.201 71.9168 169.202 141.883 GPRESSURE: 4116000 150.624 25.0997 8.56505 -67.6784 383.126 124.332 52.4156 131.125 96.7784 PRESSAVG: 4116000 -65.5423 -32.4144 72.4807 -32.4143 46.0312 -21.7116 72.4807 -21.7117 33.3358 GPRESSAVG: 4116000 -66.3585 -33.7643 73.7622 -31.7446 46.3872 -22.44 73.1323 -21.3626 33.7116 TIMING: 4116000 CPU: 13326.8, 0.00311474/step Wall: 13326.8, 0.00311474/step, 0.764841 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 4004.7099 20253.3904 14480.9708 229.7477 -203403.0374 2744.1742 0.0000 0.0000 51662.3698 -110027.6746 296.9043 -161690.0444 -109667.5204 297.7019 188.0910 210.1759 762404.6807 4.6082 4.5801 PRESSURE: 4116200 87.4711 58.1035 30.582 58.1029 5.36394 -51.0524 30.5822 -51.052 157.558 GPRESSURE: 4116200 166.884 116.19 14.4302 -63.4081 76.7193 -34.3174 -37.654 27.6174 87.5259 PRESSAVG: 4116200 -45.3598 -20.2274 50.0148 -20.2274 39.5515 11.4701 50.0148 11.4701 10.0962 GPRESSAVG: 4116200 -44.7375 -19.0386 48.2106 -18.8757 38.4756 11.9747 51.0847 12.7833 10.5653 TIMING: 4116200 CPU: 13327.4, 0.00312276/step Wall: 13327.4, 0.00312275/step, 0.766636 hours remaining, 236.808594 MB of memory in use. ENERGY: 4116200 3936.4535 20144.6769 14476.1735 244.4390 -203392.4841 2737.8393 0.0000 0.0000 51753.9174 -110098.9847 297.4305 -161852.9020 -109737.3595 298.1021 83.4645 110.3764 762698.8481 1.4293 1.4345 LDB: ============= START OF LOAD BALANCING ============== 13339.9 LDB: ============== END OF LOAD BALANCING =============== 13339.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13339.9 LDB: ============= START OF LOAD BALANCING ============== 13340.2 LDB: Largest compute 7027 load 0.032149 is 16.4% of average load 0.195563 LDB: Average compute 0.004383 is 2.2% of average load 0.195563 LDB: TIME 13340.2 LOAD: AVG 0.195563 MAX 0.215405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.352 MB LDB: TIME 13340.2 LOAD: AVG 0.195563 MAX 0.215405 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: TIME 13340.2 LOAD: AVG 0.195563 MAX 0.215405 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: ============== END OF LOAD BALANCING =============== 13340.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13340.2 PRESSURE: 4116400 15.3511 -9.86894 4.31584 -9.86814 46.8377 -124.463 4.31581 -124.464 111.411 GPRESSURE: 4116400 25.7975 -27.333 -37.9567 117.819 43.5768 -97.3436 -44.2993 -160.639 184.403 PRESSAVG: 4116400 21.7362 -89.4153 39.6135 -89.4153 34.1555 24.4272 39.6135 24.4271 22.7537 GPRESSAVG: 4116400 21.3879 -90.1332 41.1955 -89.4678 35.5876 24.6736 37.9434 23.824 21.616 TIMING: 4116400 CPU: 13328.1, 0.00318826/step Wall: 13328.1, 0.00318826/step, 0.78254 hours remaining, 235.964844 MB of memory in use. ENERGY: 4116400 3977.1305 20387.7384 14450.7716 236.4022 -203465.5178 2545.8538 0.0000 0.0000 51846.5074 -110021.1139 297.9626 -161867.6213 -109660.8622 297.9683 57.8666 84.5922 762675.0280 26.2151 26.1972 PRESSURE: 4116600 43.9697 -226.386 -245.667 -226.386 -142.588 -330.258 -245.667 -330.258 -51.2878 GPRESSURE: 4116600 25.1397 -200.791 -196.194 -116.383 -98.0663 -332.655 -190.856 -212.881 -8.45961 PRESSAVG: 4116600 -43.8764 -51.8158 27.2837 -51.8157 16.4009 7.41015 27.2837 7.41021 -8.91434 GPRESSAVG: 4116600 -43.4055 -51.2174 27.745 -54.2403 14.0839 7.97843 27.8504 4.80922 -7.34769 TIMING: 4116600 CPU: 13328.7, 0.00311526/step Wall: 13328.7, 0.00311526/step, 0.764451 hours remaining, 236.363281 MB of memory in use. ENERGY: 4116600 3880.3901 20351.2922 14481.2910 279.6960 -203416.8202 2649.4793 0.0000 0.0000 51806.8325 -109967.8391 297.7346 -161774.6715 -109601.1888 298.2396 -49.9688 -27.1287 762540.4905 -12.1299 -12.2231 PRESSURE: 4116800 -134.105 -174.724 -140.634 -174.723 69.9173 -182.398 -140.634 -182.397 306.412 GPRESSURE: 4116800 -181.933 -118.391 -154.058 -165.176 150.53 -225.033 -206.845 -83.0744 379.998 PRESSAVG: 4116800 14.5565 -44.5092 25.7927 -44.5091 -6.88858 -36.2794 25.7927 -36.2795 25.2787 GPRESSAVG: 4116800 13.2615 -45.3248 23.9094 -44.2824 -5.37604 -36.0591 29.4826 -33.7136 25.3303 TIMING: 4116800 CPU: 13329.3, 0.00312249/step Wall: 13329.3, 0.00312249/step, 0.766051 hours remaining, 236.363281 MB of memory in use. ENERGY: 4116800 3991.0530 20534.5275 14460.7884 239.1430 -203632.0578 2656.0441 0.0000 0.0000 51925.1192 -109825.3826 298.4144 -161750.5018 -109464.9019 298.5238 80.7416 116.1983 761125.2894 10.9822 11.0719 PRESSURE: 4117000 -409.389 26.46 146.325 26.4599 -225.827 -54.2691 146.325 -54.27 -24.4397 GPRESSURE: 4117000 -381.758 -28.989 147.918 -3.26957 -210.622 -18.6747 124.869 2.98264 2.23536 PRESSAVG: 4117000 -37.4228 -40.7463 -14.053 -40.7464 11.1694 -2.07858 -14.053 -2.0786 10.8509 GPRESSAVG: 4117000 -36.8164 -40.1512 -12.5553 -41.446 10.6884 -1.59139 -16.985 -3.96465 10.7592 TIMING: 4117000 CPU: 13330, 0.00311698/step Wall: 13330, 0.00311698/step, 0.764527 hours remaining, 236.363281 MB of memory in use. ENERGY: 4117000 4038.1926 20465.0533 14499.4003 256.8772 -203315.0244 2442.5711 0.0000 0.0000 52141.1631 -109471.7668 299.6560 -161612.9299 -109118.8399 298.8413 -219.8851 -196.7147 763027.2269 -5.1342 -5.1229 PRESSURE: 4117200 -211.121 -61.7441 63.7104 -61.7431 -159.863 108.528 63.7098 108.527 105.026 GPRESSURE: 4117200 -276.369 -10.3895 26.7998 34.523 -4.24163 170.154 184.271 34.8318 130.567 PRESSAVG: 4117200 23.2699 -26.402 62.9465 -26.402 -44.727 -31.4897 62.9465 -31.4897 12.8928 GPRESSAVG: 4117200 23.9022 -24.547 62.6334 -26.4715 -44.3455 -32.5868 63.4002 -30.0618 12.6639 TIMING: 4117200 CPU: 13330.6, 0.00315136/step Wall: 13330.6, 0.00315136/step, 0.772784 hours remaining, 236.363281 MB of memory in use. ENERGY: 4117200 3890.0635 20350.0980 14497.1513 258.4079 -203112.3481 2510.2336 0.0000 0.0000 52116.5896 -109489.8041 299.5148 -161606.3937 -109117.8281 299.5544 -88.6525 -50.0145 761786.7597 -2.8548 -2.5931 PRESSURE: 4117400 -231.707 263.104 17.251 263.105 -195.154 -246.927 17.2508 -246.929 -63.8704 GPRESSURE: 4117400 -154.273 318.976 58.9755 192.346 -182.455 -193.376 -50.9419 -168.048 -52.207 PRESSAVG: 4117400 32.2383 -5.00401 13.5557 -5.00409 1.68209 -81.3443 13.5557 -81.3442 13.5983 GPRESSAVG: 4117400 33.0267 -6.07595 12.928 -3.9866 1.32084 -82.816 15.518 -80.4045 12.8669 TIMING: 4117400 CPU: 13331.2, 0.00313245/step Wall: 13331.2, 0.00313245/step, 0.767973 hours remaining, 236.363281 MB of memory in use. ENERGY: 4117400 3966.5985 20564.7216 14444.7032 236.8894 -202916.4704 2470.6164 0.0000 0.0000 51702.1540 -109530.7872 297.1330 -161232.9412 -109161.1265 298.9487 -163.5773 -129.6450 761226.8645 15.8396 15.7382 PRESSURE: 4117600 133.121 34.7388 -117.528 34.7397 189.474 180.389 -117.527 180.388 -84.1003 GPRESSURE: 4117600 66.559 165.312 -90.8888 32.8044 213.825 53.2915 -220.691 231.394 35.0191 PRESSAVG: 4117600 34.8359 17.6238 -64.4524 17.6239 -16.182 -27.2195 -64.4524 -27.2195 4.90125 GPRESSAVG: 4117600 34.3228 16.7434 -63.2775 15.744 -17.0142 -24.9728 -66.0385 -28.7053 5.83679 TIMING: 4117600 CPU: 13331.8, 0.00312187/step Wall: 13331.8, 0.00312187/step, 0.765205 hours remaining, 236.433594 MB of memory in use. ENERGY: 4117600 3987.7945 20532.4184 14418.2988 253.7531 -203582.7573 2691.8089 0.0000 0.0000 52154.1034 -109544.5803 299.7303 -161698.6837 -109181.6227 299.3639 79.4984 105.1343 760468.5371 7.8517 7.7151 PRESSURE: 4117800 -154.078 5.22479 -54.5736 5.22352 -208.633 -28.1588 -54.5735 -28.1579 -161.011 GPRESSURE: 4117800 -95.1965 -0.553052 -23.0571 50.0386 -166.975 -152.659 7.72946 59.573 -181.157 PRESSAVG: 4117800 -27.5566 -13.0605 -52.5209 -13.0605 67.7204 -4.18161 -52.5209 -4.18159 16.2434 GPRESSAVG: 4117800 -26.9093 -14.1499 -53.4827 -10.9464 67.6664 -4.097 -51.9252 -4.32676 15.2038 TIMING: 4117800 CPU: 13332.5, 0.00311995/step Wall: 13332.5, 0.00311995/step, 0.76456 hours remaining, 236.433594 MB of memory in use. ENERGY: 4117800 3984.5211 20367.8372 14481.9688 273.3783 -203293.9752 2546.6536 0.0000 0.0000 52112.2299 -109527.3863 299.4897 -161639.6162 -109158.0741 298.5851 -174.5740 -147.7762 762070.5506 18.8024 18.6537 PRESSURE: 4118000 -177.383 -44.0395 -37.0418 -44.0404 146.386 130.063 -37.0425 130.063 200.515 GPRESSURE: 4118000 -101.613 -16.389 -21.6777 6.01406 113.464 165.402 39.4107 84.6463 223.449 PRESSAVG: 4118000 -12.3845 -22.4345 -0.979359 -22.4345 2.42178 15.2383 -0.979413 15.2383 5.1248 GPRESSAVG: 4118000 -12.2243 -19.9058 -0.55155 -23.5781 2.28944 12.968 -0.41451 16.408 5.15068 TIMING: 4118000 CPU: 13333.1, 0.00311557/step Wall: 13333.1, 0.00311557/step, 0.763315 hours remaining, 236.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4118000 3987.2476 20251.0301 14523.1772 247.9811 -203671.0522 2940.2523 0.0000 0.0000 51939.8137 -109781.5501 298.4988 -161721.3638 -109410.3847 298.8857 56.5059 78.4334 760327.2770 -1.6126 -1.5947 PRESSURE: 4118200 -241.182 -205.993 245.769 -205.992 -484.022 -191.34 245.769 -191.339 162.358 GPRESSURE: 4118200 -152.15 -207.168 90.4554 -161.336 -383.321 -264.257 210.781 -140.285 65.5541 PRESSAVG: 4118200 -53.3571 -35.3257 16.7662 -35.3257 40.6929 3.22151 16.7662 3.22159 9.05671 GPRESSAVG: 4118200 -53.4017 -37.4612 15.8326 -35.1009 40.7596 4.15923 17.62 4.96367 8.56132 TIMING: 4118200 CPU: 13333.7, 0.00312318/step Wall: 13333.7, 0.00312318/step, 0.765005 hours remaining, 236.433594 MB of memory in use. ENERGY: 4118200 3926.0981 20296.1068 14457.6085 244.9719 -203768.1777 2852.5239 0.0000 0.0000 52158.4597 -109832.4087 299.7554 -161990.8684 -109459.4139 298.6690 -187.6152 -156.6391 762561.9974 -1.2025 -1.3602 PRESSURE: 4118400 62.3419 -3.46392 -133.81 -3.46382 -64.0441 45.8683 -133.81 45.8679 159.324 GPRESSURE: 4118400 100.909 101.078 -88.9021 -21.0408 -1.10761 8.14888 58.5967 38.6649 164.059 PRESSAVG: 4118400 -29.7449 -62.881 -7.85214 -62.8811 -4.63656 40.2407 -7.85218 40.2407 20.217 GPRESSAVG: 4118400 -29.8732 -60.5231 -7.51567 -62.1354 -4.96708 40.7333 -6.76508 40.5024 20.4137 TIMING: 4118400 CPU: 13334.3, 0.00313194/step Wall: 13334.3, 0.00313194/step, 0.766977 hours remaining, 236.433594 MB of memory in use. ENERGY: 4118400 3984.3146 20382.5232 14457.1066 256.1183 -203529.2009 2628.8690 0.0000 0.0000 51986.1872 -109834.0822 298.7653 -161820.2693 -109463.2465 298.6314 52.5405 87.9536 759879.7553 -4.7215 -4.8089 PRESSURE: 4118600 -68.2061 -32.7392 65.6599 -32.739 -487.924 35.7719 65.6598 35.7717 -407.93 GPRESSURE: 4118600 -75.3108 7.78871 60.7803 47.2324 -393.601 81.653 90.9559 48.6021 -406.092 PRESSAVG: 4118600 -20.6784 -47.0381 -7.46984 -47.0381 0.849647 18.584 -7.46989 18.5839 10.3551 GPRESSAVG: 4118600 -19.8903 -47.6853 -6.15893 -47.2117 0.653861 19.5859 -10.4219 17.664 9.82062 TIMING: 4118600 CPU: 13335, 0.00312832/step Wall: 13335, 0.00312832/step, 0.765918 hours remaining, 236.445312 MB of memory in use. ENERGY: 4118600 4020.6187 20602.5772 14448.8506 248.8319 -203437.2746 2380.2060 0.0000 0.0000 52200.0316 -109536.1587 299.9943 -161736.1903 -109166.6003 299.2907 -321.3534 -291.6679 761134.2193 -3.1579 -3.1386 PRESSURE: 4118800 -449.963 -80.9514 125.394 -80.9522 -204.075 -121.578 125.394 -121.577 -174.946 GPRESSURE: 4118800 -317.789 -67.2965 92.1624 -121.959 -182.202 -49.9771 61.2534 -126.458 -234.601 PRESSAVG: 4118800 -18.8803 -38.6991 -15.8845 -38.6991 -7.29742 -36.1432 -15.8845 -36.1431 -0.487934 GPRESSAVG: 4118800 -20.591 -39.296 -16.4308 -38.7652 -6.59501 -36.0291 -14.7234 -36.8511 0.347139 TIMING: 4118800 CPU: 13335.6, 0.00313239/step Wall: 13335.6, 0.00313239/step, 0.76674 hours remaining, 236.644531 MB of memory in use. ENERGY: 4118800 4034.6634 20455.8224 14469.6120 244.5789 -203568.5083 2643.6068 0.0000 0.0000 52053.3694 -109666.8554 299.1514 -161720.2248 -109316.7081 299.4800 -276.3279 -244.8638 760562.0404 -8.8886 -8.9463 PRESSURE: 4119000 -174.994 87.1243 -56.3581 87.1239 136.502 -52.3296 -56.3588 -52.3299 60.3653 GPRESSURE: 4119000 -112.999 51.8999 -105.416 60.5858 113.361 -98.3071 -120.92 -9.02873 94.9753 PRESSAVG: 4119000 -5.27938 -31.1816 -80.7136 -31.1816 -23.1108 33.9062 -80.7136 33.9061 -4.10036 GPRESSAVG: 4119000 -5.17152 -30.817 -79.9325 -31.2873 -24.5968 32.9039 -82.7915 34.4876 -3.08722 TIMING: 4119000 CPU: 13336.2, 0.00313339/step Wall: 13336.2, 0.00313339/step, 0.766809 hours remaining, 236.644531 MB of memory in use. ENERGY: 4119000 3934.2922 20515.0075 14395.4990 225.4575 -203337.9132 2398.6186 0.0000 0.0000 52314.4837 -109554.5546 300.6521 -161869.0383 -109186.1183 299.1918 7.2910 31.7793 760852.3754 -10.8302 -10.9519 PRESSURE: 4119200 -54.7904 6.09759 -45.7545 6.09784 -78.0049 126.541 -45.7544 126.541 63.0379 GPRESSURE: 4119200 -21.6434 -180.353 -82.6586 -12.8201 -69.629 37.8085 -51.3918 103.571 78.9522 PRESSAVG: 4119200 54.0275 -9.3001 15.44 -9.30011 -29.3975 15.958 15.4401 15.958 23.3123 GPRESSAVG: 4119200 52.4998 -10.781 12.6691 -10.9573 -28.3118 14.7631 20.03 16.0306 23.6506 TIMING: 4119200 CPU: 13336.8, 0.00312897/step Wall: 13336.8, 0.00312897/step, 0.765554 hours remaining, 236.644531 MB of memory in use. ENERGY: 4119200 4027.1848 20533.3392 14528.5559 240.0645 -203194.8967 2359.0778 0.0000 0.0000 51996.6264 -109510.0481 298.8253 -161506.6744 -109143.2653 299.1434 -23.2524 -4.1067 760356.2743 15.9808 15.9462 PRESSURE: 4119400 -262.915 -220.982 189.484 -220.982 -274.115 41.6646 189.483 41.6642 113.524 GPRESSURE: 4119400 -180.75 -125.998 62.5524 -91.6346 -337.406 60.6216 297.462 26.5563 185.308 PRESSAVG: 4119400 -21.064 -2.16967 7.30551 -2.16968 36.2733 -25.2207 7.3055 -25.2206 10.7964 GPRESSAVG: 4119400 -18.3627 -1.73459 9.67222 -0.332224 35.6526 -24.9382 6.78976 -25.5668 9.04367 TIMING: 4119400 CPU: 13337.5, 0.00313212/step Wall: 13337.5, 0.00313212/step, 0.766151 hours remaining, 236.644531 MB of memory in use. ENERGY: 4119400 3989.9033 20626.6349 14598.8067 220.6380 -203247.8812 2305.8388 0.0000 0.0000 52131.9761 -109374.0834 299.6032 -161506.0595 -109008.1441 299.5302 -141.1688 -110.9496 761096.0885 8.6686 8.7779 PRESSURE: 4119600 199.951 188.068 -15.6517 188.067 -146.496 -198.081 -15.6525 -198.081 323.212 GPRESSURE: 4119600 205.128 95.6944 -63.4076 134.818 -27.7569 -133.805 36.9557 -142.94 299.459 PRESSAVG: 4119600 -5.41185 23.8679 7.38763 23.8679 -10.3333 39.1928 7.38758 39.1929 1.82763 GPRESSAVG: 4119600 -6.46755 24.114 6.88255 24.1485 -8.96084 41.4669 6.14476 38.8574 1.7997 TIMING: 4119600 CPU: 13338.1, 0.00313294/step Wall: 13338.1, 0.00313294/step, 0.766177 hours remaining, 236.644531 MB of memory in use. ENERGY: 4119600 3973.4957 20626.8143 14488.1573 229.0746 -203726.4126 2916.8002 0.0000 0.0000 52085.6659 -109406.4046 299.3370 -161492.0705 -109052.1473 299.8899 125.5558 158.9432 759929.5336 -4.6392 -4.5429 PRESSURE: 4119800 -63.8922 -18.8705 -264.657 -18.8709 158.403 -82.7133 -264.658 -82.7138 -391.128 GPRESSURE: 4119800 -120.263 15.44 -322.544 14.9663 201.422 3.88455 -110.078 -94.2201 -310.59 PRESSAVG: 4119800 6.1899 9.01407 -49.0986 9.01408 11.6002 -10.9985 -49.0986 -10.9985 24.4352 GPRESSAVG: 4119800 6.1564 8.95444 -48.0427 11.4996 11.6677 -11.5933 -50.5779 -11.6301 24.7003 TIMING: 4119800 CPU: 13338.7, 0.00313421/step Wall: 13338.7, 0.00313421/step, 0.766313 hours remaining, 236.644531 MB of memory in use. ENERGY: 4119800 4031.1918 20656.2490 14495.2719 247.3762 -203439.4836 2665.6598 0.0000 0.0000 52095.0910 -109248.6440 299.3912 -161343.7350 -108893.4983 300.0209 -98.8723 -76.4771 759871.6060 14.0751 14.1748 PRESSURE: 4120000 -163.159 80.5282 -175.375 80.5287 -356.713 -34.6371 -175.375 -34.6368 -258.037 GPRESSURE: 4120000 -162.267 70.4591 -188.227 152.314 -286.514 2.19229 -225.969 90.725 -240.71 PRESSAVG: 4120000 48.5836 34.3875 -42.8442 34.3875 -31.452 -40.4207 -42.8442 -40.4207 -5.2813 GPRESSAVG: 4120000 48.1611 34.9232 -43.3888 30.2967 -31.9849 -39.8294 -43.2924 -37.1865 -4.17132 TIMING: 4120000 CPU: 13339.3, 0.00314102/step Wall: 13339.3, 0.00314102/step, 0.767806 hours remaining, 236.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4120000 4008.9966 20476.6031 14422.0510 247.6412 -203344.1971 2456.8918 0.0000 0.0000 52282.3147 -109449.6987 300.4672 -161732.0134 -109084.9438 299.7746 -259.3030 -229.8303 762130.6120 3.9501 4.0016 PRESSURE: 4120200 588.125 131.951 11.9362 131.951 -20.2382 153.623 11.9367 153.624 163.54 GPRESSURE: 4120200 499.226 224.439 18.944 92.8175 96.7702 134.359 29.3311 171.11 222.542 PRESSAVG: 4120200 32.3351 46.8317 -56.3021 46.8316 7.13359 -10.1199 -56.302 -10.1199 -30.7412 GPRESSAVG: 4120200 31.6124 47.5167 -55.59 48.3506 7.97174 -11.5943 -54.2995 -11.127 -31.1996 TIMING: 4120200 CPU: 13340, 0.00313288/step Wall: 13340, 0.00313288/step, 0.765641 hours remaining, 236.644531 MB of memory in use. ENERGY: 4120200 4021.8561 20594.8178 14479.3505 267.9759 -203684.6058 2963.8076 0.0000 0.0000 52036.4604 -109320.3375 299.0543 -161356.7979 -108959.9845 299.5694 243.8089 272.8464 762037.4771 2.9092 2.7948 LDB: ============= START OF LOAD BALANCING ============== 13352.4 LDB: ============== END OF LOAD BALANCING =============== 13352.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13352.4 LDB: ============= START OF LOAD BALANCING ============== 13352.7 LDB: Largest compute 7059 load 0.034132 is 17.5% of average load 0.195591 LDB: Average compute 0.004378 is 2.2% of average load 0.195591 LDB: TIME 13352.7 LOAD: AVG 0.195591 MAX 0.214947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 13352.7 LOAD: AVG 0.195591 MAX 0.214947 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 13352.7 LOAD: AVG 0.195591 MAX 0.214947 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 13352.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13352.7 PRESSURE: 4120400 -427.37 122.357 -131.188 122.357 217.313 220.548 -131.188 220.549 -159.032 GPRESSURE: 4120400 -334.551 -1.05722 -176.063 198.672 205.642 231.814 -117.054 112.493 -152.819 PRESSAVG: 4120400 -43.2019 5.02159 -29.3774 5.02156 36.9717 -23.5493 -29.3774 -23.5493 17.0685 GPRESSAVG: 4120400 -42.8852 5.90114 -30.2709 5.08261 37.0458 -24.1858 -29.6507 -25.0535 17.1252 TIMING: 4120400 CPU: 13340.6, 0.00323488/step Wall: 13340.6, 0.00323488/step, 0.790388 hours remaining, 234.113281 MB of memory in use. ENERGY: 4120400 3965.1436 20794.5610 14498.8347 231.0384 -203282.1406 2542.9309 0.0000 0.0000 52133.5553 -109116.0767 299.6123 -161249.6320 -108759.1289 300.0167 -123.0296 -93.9092 761849.6646 3.6128 3.7620 PRESSURE: 4120600 -377.527 -67.6171 -143.693 -67.6173 -138.061 -6.36852 -143.693 -6.36857 -81.1507 GPRESSURE: 4120600 -341.226 -171.635 -28.9704 -19.5578 -156.775 -69.6991 -196.314 -1.88616 -10.7103 PRESSAVG: 4120600 -47.9146 -12.5631 -19.9016 -12.5631 37.7978 -13.3283 -19.9016 -13.3285 -23.1641 GPRESSAVG: 4120600 -45.7449 -13.4465 -18.1418 -12.8305 37.2673 -12.7558 -21.3085 -10.9569 -24.2207 TIMING: 4120600 CPU: 13341.3, 0.00315518/step Wall: 13341.3, 0.00315518/step, 0.770741 hours remaining, 234.312500 MB of memory in use. ENERGY: 4120600 3947.0408 20655.6594 14455.4016 237.8155 -203400.8114 2548.7520 0.0000 0.0000 52283.2186 -109272.9234 300.4724 -161556.1421 -108905.5688 299.9725 -198.9129 -169.5703 762062.7221 -11.0937 -10.8994 PRESSURE: 4120800 419.233 73.0793 45.6646 73.0791 -115.824 -35.4972 45.6654 -35.4969 -186.744 GPRESSURE: 4120800 404.835 1.09214 48.3187 53.2994 -33.5483 -70.4584 90.2577 -6.11278 -146.632 PRESSAVG: 4120800 19.0935 -8.66092 -44.1386 -8.66094 -27.8515 -9.15911 -44.1386 -9.15907 -8.80191 GPRESSAVG: 4120800 18.0657 -7.90149 -47.2556 -9.7457 -27.8765 -9.49662 -41.827 -9.20223 -7.31557 TIMING: 4120800 CPU: 13341.9, 0.00315962/step Wall: 13341.9, 0.00315962/step, 0.77165 hours remaining, 234.312500 MB of memory in use. ENERGY: 4120800 3971.4973 20708.6099 14474.0321 226.9991 -203576.4012 2664.2182 0.0000 0.0000 52504.9052 -109026.1394 301.7464 -161531.0446 -108660.3362 300.0058 38.8883 74.8849 762559.3290 -5.8533 -5.7088 PRESSURE: 4121000 -84.7438 -19.1913 -7.26013 -19.1903 -154.849 50.9948 -7.25894 50.9946 -246.746 GPRESSURE: 4121000 -41.2533 -46.7999 1.94594 21.6517 -165.085 70.4767 -22.9578 97.5521 -186.639 PRESSAVG: 4121000 34.4578 10.3424 -21.7683 10.3424 -15.4288 5.25971 -21.7683 5.25971 -7.93419 GPRESSAVG: 4121000 35.3133 9.10809 -19.1445 9.81005 -15.5001 5.68194 -23.5291 4.43385 -8.34438 TIMING: 4121000 CPU: 13342.5, 0.00313287/step Wall: 13342.5, 0.00313287/step, 0.764943 hours remaining, 234.312500 MB of memory in use. ENERGY: 4121000 4037.4322 20594.5682 14524.3920 221.9886 -203346.9646 2541.6044 0.0000 0.0000 52032.6904 -109394.2888 299.0326 -161426.9793 -109041.4562 299.7726 -162.1127 -130.9924 762562.0602 3.6983 3.8230 PRESSURE: 4121200 21.465 -35.1193 213.406 -35.1187 4.56335 -53.1506 213.406 -53.1513 -227.734 GPRESSURE: 4121200 -6.53629 32.0263 66.7567 42.9347 83.361 -100.302 92.9859 -39.9445 -194.43 PRESSAVG: 4121200 -9.94758 -30.4434 -42.778 -30.4433 -13.4828 -30.1397 -42.778 -30.1398 -9.98395 GPRESSAVG: 4121200 -10.6972 -30.8814 -44.5267 -29.1886 -13.4325 -29.9678 -43.7401 -30.2924 -9.59093 TIMING: 4121200 CPU: 13343.1, 0.00314057/step Wall: 13343.1, 0.00314057/step, 0.766647 hours remaining, 234.312500 MB of memory in use. ENERGY: 4121200 3928.5249 20506.7713 14465.8489 243.1450 -203764.7090 2779.0658 0.0000 0.0000 52304.7335 -109536.6195 300.5960 -161841.3531 -109169.1335 299.5144 -67.2352 -39.2019 762828.6013 -11.1381 -11.2402 PRESSURE: 4121400 231.13 -118.829 -87.856 -118.829 117.916 37.5608 -87.8556 37.5601 62.0802 GPRESSURE: 4121400 343.626 -10.194 -139.448 -78.767 99.1043 -19.7296 15.9888 -22.703 26.5199 PRESSAVG: 4121400 14.8735 -38.5877 -21.5247 -38.5878 6.6829 40.463 -21.5247 40.463 11.0129 GPRESSAVG: 4121400 14.6796 -35.899 -21.0226 -39.4507 7.18012 39.1308 -20.0662 40.3981 10.6988 TIMING: 4121400 CPU: 13343.8, 0.00314376/step Wall: 13343.8, 0.00314376/step, 0.767252 hours remaining, 234.312500 MB of memory in use. ENERGY: 4121400 3943.2612 20554.4158 14482.9558 231.2011 -203997.2626 2963.6395 0.0000 0.0000 52220.9888 -109600.8004 300.1147 -161821.7892 -109232.3828 299.5429 137.0422 156.4168 759724.5030 10.8564 10.8528 PRESSURE: 4121600 -298.94 -126.572 -22.703 -126.573 -423.882 -31.8078 -22.7028 -31.8084 -336.47 GPRESSURE: 4121600 -287.482 -151.205 -42.4305 -110.627 -494.396 -38.5401 -94.4086 84.1326 -203.995 PRESSAVG: 4121600 20.995 5.54379 -60.7204 5.54368 -39.7939 14.7169 -60.7203 14.717 4.62079 GPRESSAVG: 4121600 22.1559 4.49778 -59.8265 6.26591 -41.2077 15.8619 -61.612 14.8597 5.46764 TIMING: 4121600 CPU: 13344.4, 0.00316315/step Wall: 13344.4, 0.00316315/step, 0.771809 hours remaining, 234.312500 MB of memory in use. ENERGY: 4121600 3941.8533 20574.8152 14523.1172 241.0673 -203349.6975 2505.1439 0.0000 0.0000 51803.9763 -109759.7244 297.7182 -161563.7007 -109409.1627 298.7288 -353.0972 -328.6244 762577.7274 -4.7260 -4.5281 PRESSURE: 4121800 -283.019 -219.533 86.6321 -219.533 -195.478 168.276 86.632 168.277 -58.5065 GPRESSURE: 4121800 -277.714 -310.628 87.3674 -171.678 -121.294 137.485 126.374 177.372 -79.6717 PRESSAVG: 4121800 -85.0054 -74.8421 -17.1296 -74.842 72.5641 26.4951 -17.1296 26.4951 7.99012 GPRESSAVG: 4121800 -84.7558 -77.1804 -17.7475 -73.2784 73.53 26.0916 -18.4919 25.5023 6.96614 TIMING: 4121800 CPU: 13345, 0.00316175/step Wall: 13345, 0.00316175/step, 0.771291 hours remaining, 234.312500 MB of memory in use. ENERGY: 4121800 3964.5974 20498.0554 14505.5386 244.5660 -203253.0375 2392.1250 0.0000 0.0000 52031.2434 -109616.9116 299.0243 -161648.1550 -109246.0608 298.8084 -179.0011 -159.5599 761799.7223 -1.4837 -1.4199 PRESSURE: 4122000 187.178 -80.8405 130.973 -80.8419 -41.821 102.398 130.973 102.398 149.663 GPRESSURE: 4122000 126.875 -26.9024 114.859 -142.733 31.2721 59.3631 182.184 36.83 213.751 PRESSAVG: 4122000 30.2031 -56.377 13.7773 -56.377 -15.9952 41.8745 13.7773 41.8745 -4.11694 GPRESSAVG: 4122000 29.0804 -54.5821 13.1709 -57.5939 -15.729 42.9877 15.9802 41.6797 -2.69835 TIMING: 4122000 CPU: 13345.7, 0.00314865/step Wall: 13345.7, 0.00314865/step, 0.76792 hours remaining, 234.312500 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: 4122000 3930.8176 20658.2935 14434.1958 229.2721 -203624.9760 2791.5243 0.0000 0.0000 51857.6594 -109723.2134 298.0267 -161580.8728 -109358.1894 299.0747 98.3398 123.9661 761755.2015 3.3637 3.5510 PRESSURE: 4122200 67.4613 -198.884 -300.22 -198.884 -376.459 -127.421 -300.22 -127.42 108.058 GPRESSURE: 4122200 98.7026 -224.143 -356.68 -200.001 -267.529 -95.8409 -121.375 -44.3421 48.8502 PRESSAVG: 4122200 38.5036 -16.9608 7.39741 -16.9609 -29.8606 8.22258 7.39746 8.2225 7.6839 GPRESSAVG: 4122200 38.4003 -18.3813 7.90053 -15.5976 -29.3993 8.35405 9.67671 8.39926 7.372 TIMING: 4122200 CPU: 13346.3, 0.00314662/step Wall: 13346.3, 0.00314662/step, 0.76725 hours remaining, 234.312500 MB of memory in use. ENERGY: 4122200 3989.3670 20419.4289 14478.0287 267.9230 -203558.4014 2635.9870 0.0000 0.0000 51920.7093 -109846.9575 298.3890 -161767.6668 -109484.3732 298.6884 -66.9799 -39.9922 761395.0051 5.4423 5.4577 PRESSURE: 4122400 448.28 -115.673 135.964 -115.673 94.2152 279.968 135.964 279.969 -205.271 GPRESSURE: 4122400 438.958 -169.403 138.058 -47.3961 139.944 278.457 176.284 323.675 -154.139 PRESSAVG: 4122400 4.17856 3.9917 28.1927 3.99173 -14.3288 -8.28282 28.1927 -8.28277 20.9827 GPRESSAVG: 4122400 3.94739 6.64883 28.6778 0.800444 -13.7958 -9.06204 27.6441 -5.2497 21.1388 TIMING: 4122400 CPU: 13346.9, 0.00311622/step Wall: 13346.9, 0.00311622/step, 0.759665 hours remaining, 234.312500 MB of memory in use. ENERGY: 4122400 4010.9072 20686.5972 14449.7529 258.1025 -203919.1162 2702.5803 0.0000 0.0000 51956.2007 -109854.9754 298.5930 -161811.1761 -109502.2480 298.5046 112.4080 141.5877 759530.7036 3.6108 3.7635 PRESSURE: 4122600 100.968 -290.903 18.2202 -290.903 -41.1232 108.967 18.2204 108.968 -68.4212 GPRESSURE: 4122600 230.879 -289.842 -25.7873 -357.26 -144.321 152.433 65.6156 30.1072 -37.1938 PRESSAVG: 4122600 -5.44945 -46.6645 -18.3999 -46.6645 6.78233 -19.8774 -18.3999 -19.8774 -28.9791 GPRESSAVG: 4122600 -5.4901 -47.5097 -18.2121 -47.1862 6.21866 -19.6763 -20.047 -22.1908 -28.717 TIMING: 4122600 CPU: 13347.5, 0.00313153/step Wall: 13347.5, 0.00313153/step, 0.763224 hours remaining, 234.312500 MB of memory in use. ENERGY: 4122600 4023.8117 20708.0712 14514.8841 245.5075 -204135.3395 2860.8777 0.0000 0.0000 52195.1278 -109587.0596 299.9661 -161782.1874 -109222.6387 298.9019 -2.8586 16.4546 760284.5931 -9.2154 -9.3295 PRESSURE: 4122800 -21.0307 -206.628 37.5467 -206.628 62.89 4.61988 37.5463 4.61975 188.823 GPRESSURE: 4122800 -41.8082 -262.222 44.7027 -141.583 124.346 -68.2412 88.1832 80.914 224.83 PRESSAVG: 4122800 -0.404716 -44.1444 3.16024 -44.1444 -25.9041 3.23121 3.16022 3.23113 -41.4471 GPRESSAVG: 4122800 -0.802451 -43.7364 2.66534 -43.8203 -24.9296 3.68841 4.13701 4.63377 -41.8079 TIMING: 4122800 CPU: 13348.2, 0.00313496/step Wall: 13348.2, 0.00313496/step, 0.763885 hours remaining, 234.312500 MB of memory in use. ENERGY: 4122800 3968.9934 20519.5216 14449.5448 242.4166 -203556.1457 2644.2562 0.0000 0.0000 52085.1519 -109646.2613 299.3341 -161731.4132 -109281.1420 299.4048 76.8941 102.4559 759621.0069 -22.5853 -22.5133 PRESSURE: 4123000 -436.563 82.4578 -123.616 82.4568 -71.9874 107.875 -123.616 107.875 168.12 GPRESSURE: 4123000 -372.754 127.162 -160.658 15.4604 -67.5446 111.83 -109.704 274.069 198.793 PRESSAVG: 4123000 -21.4568 -43.7712 -13.4739 -43.7711 22.2476 16.7524 -13.4739 16.7524 -5.12583 GPRESSAVG: 4123000 -21.6026 -44.6792 -13.5096 -42.8649 22.0583 16.6105 -13.9254 15.5946 -4.88448 TIMING: 4123000 CPU: 13348.8, 0.00314533/step Wall: 13348.8, 0.00314533/step, 0.766237 hours remaining, 234.312500 MB of memory in use. ENERGY: 4123000 4045.9320 20350.7235 14493.8011 261.7885 -203252.8492 2452.3429 0.0000 0.0000 52131.1461 -109517.1152 299.5984 -161648.2613 -109147.8136 299.3191 -113.4768 -80.5020 761192.2714 -1.4450 -1.4763 PRESSURE: 4123200 -136.109 -30.3664 -233.763 -30.3659 -485.237 -285.775 -233.763 -285.775 77.4546 GPRESSURE: 4123200 -55.6175 -82.517 -139.712 -162.06 -370.864 -153.436 -304.363 -300.131 -20.208 PRESSAVG: 4123200 -29.5784 -95.1837 -2.31212 -95.1837 8.35114 -1.29347 -2.31203 -1.29357 12.0658 GPRESSAVG: 4123200 -29.0595 -94.5664 -1.83798 -95.1791 7.64825 -2.0504 -2.22399 -1.93267 12.377 TIMING: 4123200 CPU: 13349.4, 0.00315776/step Wall: 13349.4, 0.00315776/step, 0.769089 hours remaining, 234.312500 MB of memory in use. ENERGY: 4123200 4011.1159 20515.8127 14544.3733 235.7246 -203024.1121 2272.7356 0.0000 0.0000 52063.4964 -109380.8536 299.2096 -161444.3500 -109023.0376 299.1722 -181.2971 -148.8965 761120.9717 -3.0538 -3.0114 PRESSURE: 4123400 21.1311 -205.097 20.2448 -205.097 -238.537 208.033 20.2449 208.034 48.5958 GPRESSURE: 4123400 4.25221 -239.298 74.133 -248.717 -74.9186 148.304 -30.2171 262.807 2.18533 PRESSAVG: 4123400 15.6855 -47.7963 -60.4726 -47.7963 6.29805 11.0563 -60.4727 11.0563 5.86018 GPRESSAVG: 4123400 15.5388 -47.7119 -58.9592 -47.9213 6.36862 12.7867 -59.9508 11.4472 5.34705 TIMING: 4123400 CPU: 13350.1, 0.00313851/step Wall: 13350.1, 0.00313851/step, 0.764228 hours remaining, 234.312500 MB of memory in use. ENERGY: 4123400 3998.7700 20597.6994 14539.6778 248.0491 -202985.5677 2416.2790 0.0000 0.0000 51735.1170 -109449.9754 297.3224 -161185.0924 -109099.5860 299.0006 -56.2699 -22.8270 761749.1799 9.2812 9.0848 PRESSURE: 4123600 -136.961 -39.4451 -116.19 -39.4442 143.872 -150.192 -116.189 -150.192 297.659 GPRESSURE: 4123600 -96.4134 -10.1811 -118.393 -17.6169 130.964 -118.213 -171.069 -124.283 352.464 PRESSAVG: 4123600 11.3533 -73.2592 -62.3723 -73.2592 -4.31565 15.0971 -62.3723 15.0971 -19.369 GPRESSAVG: 4123600 11.0934 -72.2529 -64.4605 -73.6271 -3.8845 13.4635 -62.172 14.36 -19.4967 TIMING: 4123600 CPU: 13350.7, 0.00315548/step Wall: 13350.7, 0.00315548/step, 0.768183 hours remaining, 234.312500 MB of memory in use. ENERGY: 4123600 3938.7107 20342.6902 14508.6609 251.8086 -203127.5037 2451.5092 0.0000 0.0000 51992.5149 -109641.6091 298.8017 -161634.1240 -109265.0234 298.5525 101.5232 129.0048 759795.9828 -4.1105 -4.0960 PRESSURE: 4123800 168.259 12.7052 -99.1871 12.7058 291.734 -143.868 -99.1873 -143.867 183.832 GPRESSURE: 4123800 241.305 -130.867 -154.944 80.6815 314.432 -211.734 -136.776 -163.402 163.164 PRESSAVG: 4123800 -53.0543 -79.4105 -53.865 -79.4105 49.4143 -49.7888 -53.865 -49.7889 -5.31847 GPRESSAVG: 4123800 -53.4078 -80.7279 -52.9156 -78.4357 48.9114 -49.959 -54.6529 -49.7135 -4.86528 TIMING: 4123800 CPU: 13351.3, 0.00315148/step Wall: 13351.3, 0.00315148/step, 0.767036 hours remaining, 234.312500 MB of memory in use. ENERGY: 4123800 3890.0884 20538.4023 14495.9327 266.3236 -203425.3896 2646.0749 0.0000 0.0000 51950.4771 -109638.0906 298.5601 -161588.5676 -109274.5749 298.6813 214.6084 239.6334 760268.0652 -2.9861 -3.1206 PRESSURE: 4124000 110.831 -95.8705 -21.3981 -95.8708 -71.84 193.535 -21.3983 193.535 -144.533 GPRESSURE: 4124000 130.196 -132.7 -13.7351 -38.696 -8.42447 67.5388 -0.780478 285.555 -137.165 PRESSAVG: 4124000 36.6904 -66.7118 -16.4062 -66.7118 -40.2545 45.017 -16.4061 45.0171 5.56 GPRESSAVG: 4124000 36.7996 -64.0719 -16.0417 -66.6499 -39.5958 47.0489 -17.6287 44.0484 5.5607 TIMING: 4124000 CPU: 13351.9, 0.00313409/step Wall: 13351.9, 0.00313409/step, 0.762629 hours remaining, 234.312500 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: 4124000 3980.3121 20542.2237 14542.1014 228.1756 -203629.4948 2598.5392 0.0000 0.0000 52100.7011 -109637.4416 299.4234 -161738.1428 -109279.3265 299.1257 -35.1805 -5.1313 760644.9800 0.6653 0.9215 PRESSURE: 4124200 177.143 -194.738 218.706 -194.738 127.407 -92.5406 218.706 -92.541 35.4858 GPRESSURE: 4124200 131.749 -136.901 253.481 -267.503 190.344 -126 94.7896 48.0958 95.5459 PRESSAVG: 4124200 -9.69809 -49.9384 -31.8488 -49.9384 -20.3713 20.5836 -31.8488 20.5837 -4.74514 GPRESSAVG: 4124200 -9.44534 -52.1833 -32.2346 -49.417 -21.3254 18.1094 -31.5525 22.8604 -4.32476 TIMING: 4124200 CPU: 13352.6, 0.00313915/step Wall: 13352.6, 0.00313914/step, 0.763684 hours remaining, 234.312500 MB of memory in use. ENERGY: 4124200 4021.9628 20700.6747 14497.7064 251.0746 -203278.7971 2610.9143 0.0000 0.0000 51953.5449 -109242.9195 298.5777 -161196.4643 -108883.9562 298.9288 113.3452 139.2129 760848.9588 -11.6048 -11.6985 LDB: ============= START OF LOAD BALANCING ============== 13365 LDB: ============== END OF LOAD BALANCING =============== 13365 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13365 LDB: ============= START OF LOAD BALANCING ============== 13365.3 LDB: Largest compute 7059 load 0.033409 is 17.1% of average load 0.195670 LDB: Average compute 0.004360 is 2.2% of average load 0.195670 LDB: TIME 13365.3 LOAD: AVG 0.19567 MAX 0.217818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 13365.3 LOAD: AVG 0.19567 MAX 0.217818 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.105 MB LDB: TIME 13365.3 LOAD: AVG 0.19567 MAX 0.217818 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.105 MB LDB: ============== END OF LOAD BALANCING =============== 13365.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13365.3 PRESSURE: 4124400 42.9036 104.587 -128.131 104.587 -32.5623 25.493 -128.132 25.4929 202.148 GPRESSURE: 4124400 126.052 -43.6283 -171.314 83.5479 0.156503 15.6434 -39.4192 -96.9101 149.172 PRESSAVG: 4124400 38.9498 -36.9604 -22.2151 -36.9604 8.94259 -5.83801 -22.215 -5.83803 -3.15759 GPRESSAVG: 4124400 38.5664 -36.5891 -22.2858 -36.6641 9.25577 -6.71133 -20.1995 -7.73038 -3.96292 TIMING: 4124400 CPU: 13353.2, 0.00319698/step Wall: 13353.2, 0.00319698/step, 0.777576 hours remaining, 235.460938 MB of memory in use. ENERGY: 4124400 3957.3504 20470.1097 14474.0634 239.2563 -203038.8599 2569.1335 0.0000 0.0000 51982.2299 -109346.7168 298.7426 -161328.9466 -108986.0627 299.6957 70.8298 91.7935 762636.7405 14.9116 14.6198 PRESSURE: 4124600 15.3391 77.5915 30.5508 77.5917 -178.51 40.7627 30.5507 40.7625 270.692 GPRESSURE: 4124600 37.393 110.24 2.65501 90.0624 -61.2069 54.8508 87.3871 21.7856 241.439 PRESSAVG: 4124600 52.4507 -22.2108 -30.1046 -22.2109 -35.8266 -3.03855 -30.1046 -3.03854 -2.43487 GPRESSAVG: 4124600 52.4103 -22.5492 -28.6398 -24.0916 -35.52 -1.74654 -30.7196 -4.17901 -2.67202 TIMING: 4124600 CPU: 13353.8, 0.00311861/step Wall: 13353.8, 0.00311861/step, 0.758342 hours remaining, 235.718750 MB of memory in use. ENERGY: 4124600 3968.9440 20407.5088 14413.8740 247.2549 -203409.0440 2727.2248 0.0000 0.0000 52099.2796 -109544.9579 299.4153 -161644.2375 -109169.8325 299.1250 35.8402 72.5417 760044.5737 4.7298 4.7394 PRESSURE: 4124800 -22.8804 -192.232 62.6535 -192.231 27.5695 186.952 62.6535 186.951 10.4693 GPRESSURE: 4124800 4.90515 -268.064 124.786 -301.264 76.5221 182.884 52.507 141.695 18.0639 PRESSAVG: 4124800 69.5628 -2.78168 -38.7092 -2.78171 -58.3424 8.75377 -38.7092 8.75374 -8.71689 GPRESSAVG: 4124800 69.4688 -2.65866 -41.2515 -2.02831 -58.6088 10.0871 -39.6928 11.9511 -8.04136 TIMING: 4124800 CPU: 13354.5, 0.00311751/step Wall: 13354.5, 0.00311751/step, 0.757901 hours remaining, 235.843750 MB of memory in use. ENERGY: 4124800 3995.0477 20715.6503 14328.6998 257.3933 -203459.8891 2720.2848 0.0000 0.0000 51756.8085 -109686.0047 297.4471 -161442.8132 -109327.1754 298.8902 5.0528 33.1637 761020.1133 0.8345 0.9395 PRESSURE: 4125000 236.367 185.321 -193.206 185.321 22.4734 159.762 -193.206 159.762 197.475 GPRESSURE: 4125000 186.964 203.781 -71.3345 272.674 90.2218 165.945 -170.189 -79.586 276.467 PRESSAVG: 4125000 41.1056 -9.57397 42.5081 -9.57402 -11.0054 39.1583 42.5081 39.1583 7.62181 GPRESSAVG: 4125000 40.58 -8.59865 43.0039 -9.69274 -10.816 36.633 44.1487 38.0434 8.06001 TIMING: 4125000 CPU: 13355.1, 0.00310898/step Wall: 13355.1, 0.00310898/step, 0.755656 hours remaining, 235.859375 MB of memory in use. ENERGY: 4125000 3995.5027 20556.1645 14441.0678 236.8458 -202958.2142 2186.3453 0.0000 0.0000 52046.7930 -109495.4951 299.1136 -161542.2881 -109123.7438 299.0956 152.1049 184.5507 760592.0502 12.5740 12.6080 PRESSURE: 4125200 48.37 -68.8687 -89.1212 -68.8673 50.1878 128.006 -89.1219 128.005 -117.521 GPRESSURE: 4125200 66.6851 -89.204 -42.6041 -124.193 46.7952 99.6603 -63.2296 74.2521 -56.2271 PRESSAVG: 4125200 33.8675 0.491787 -10.0274 0.491781 -60.4043 -2.83375 -10.0274 -2.8337 23.9684 GPRESSAVG: 4125200 33.4741 -1.52144 -9.02172 0.201118 -59.5704 -1.43224 -11.1922 -3.39683 23.7811 TIMING: 4125200 CPU: 13355.7, 0.00311282/step Wall: 13355.7, 0.00311282/step, 0.756416 hours remaining, 235.859375 MB of memory in use. ENERGY: 4125200 4069.2870 20616.1950 14466.1270 253.9873 -203714.4120 2669.0731 0.0000 0.0000 52181.7219 -109458.0206 299.8891 -161639.7426 -109104.2419 299.7220 -6.3212 19.0844 759149.5791 -0.8561 -0.7717 PRESSURE: 4125400 -92.9106 120.555 -47.7353 120.555 -133.319 50.008 -47.7349 50.0086 -533.649 GPRESSURE: 4125400 -138.738 68.1079 38.5346 115.337 -68.2656 33.3642 -14.5463 196.519 -478.715 PRESSAVG: 4125400 98.034 -16.7389 -65.4179 -16.7388 -76.6274 79.2859 -65.4179 79.2859 -8.75095 GPRESSAVG: 4125400 98.5514 -15.9921 -66.2316 -14.6606 -77.2766 78.0783 -67.0549 79.3288 -8.77254 TIMING: 4125400 CPU: 13356.3, 0.00312048/step Wall: 13356.3, 0.00312048/step, 0.758103 hours remaining, 235.859375 MB of memory in use. ENERGY: 4125400 4029.6416 20587.5937 14490.6778 243.1046 -203398.8971 2330.3621 0.0000 0.0000 52125.8789 -109591.6383 299.5681 -161717.5173 -109225.7416 299.5081 -253.2927 -228.5730 759609.2492 4.2186 4.1674 PRESSURE: 4125600 230.266 -84.0315 222.583 -84.0316 159.991 -72.1289 222.583 -72.1286 399 GPRESSURE: 4125600 324.374 -58.7904 203.355 -131.642 117.721 -86.9953 268.86 -137.865 423.202 PRESSAVG: 4125600 53.0312 -60.2907 45.4116 -60.2907 -20.1755 -10.201 45.4116 -10.201 9.09353 GPRESSAVG: 4125600 53.619 -61.8263 45.7264 -60.3791 -19.0057 -9.59109 47.6219 -10.4743 7.58179 TIMING: 4125600 CPU: 13356.9, 0.0030926/step Wall: 13356.9, 0.0030926/step, 0.751159 hours remaining, 235.859375 MB of memory in use. ENERGY: 4125600 3989.7243 20496.5910 14497.4024 248.9323 -203487.4394 2560.9407 0.0000 0.0000 52157.4352 -109536.4135 299.7495 -161693.8488 -109169.1075 299.3549 263.0858 288.4323 759465.2143 13.9831 14.0650 PRESSURE: 4125800 -185.415 -141.166 -13.7918 -141.165 209.475 -42.3776 -13.7921 -42.3788 -132.296 GPRESSURE: 4125800 7.73368 -7.00495 2.67964 -83.554 128.425 -165.58 -47.6705 -64.0894 -159.809 PRESSAVG: 4125800 71.8904 -0.347186 -19.9292 -0.347211 -37.303 43.1437 -19.9292 43.1437 -5.15757 GPRESSAVG: 4125800 72.6323 -0.538604 -21.0905 0.472 -38.6531 43.1868 -20.5995 44.2778 -4.24301 TIMING: 4125800 CPU: 13357.6, 0.00311846/step Wall: 13357.6, 0.00311846/step, 0.757267 hours remaining, 235.859375 MB of memory in use. ENERGY: 4125800 3915.2616 20527.6579 14462.9206 252.2627 -203016.3608 2410.0228 0.0000 0.0000 51985.4595 -109462.7758 298.7612 -161448.2353 -109093.1757 299.6029 -36.0784 -7.8836 761352.0722 9.8099 9.9121 PRESSURE: 4126000 214.094 -85.954 13.4246 -85.9533 130.507 280.449 13.4239 280.449 -36.6833 GPRESSURE: 4126000 353.586 -53.4816 -12.4933 -273.089 126.92 199.181 25.4696 181.849 -88.7137 PRESSAVG: 4126000 24.5575 -37.7275 9.32576 -37.7276 -53.2491 -31.89 9.32575 -31.89 -7.90019 GPRESSAVG: 4126000 25.0915 -36.9126 10.5934 -39.9746 -53.783 -32.2679 8.58131 -33.7867 -7.84777 TIMING: 4126000 CPU: 13358.2, 0.00312019/step Wall: 13358.2, 0.00312019/step, 0.757514 hours remaining, 235.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4126000 3961.3403 20610.6673 14487.1693 256.7028 -203056.6291 2370.0977 0.0000 0.0000 52118.3154 -109252.3363 299.5247 -161370.6517 -108895.5431 300.0760 102.6390 130.5974 761906.9201 -12.1973 -12.1798 PRESSURE: 4126200 -301.758 52.6389 183.26 52.6385 -150.557 150.873 183.26 150.872 -190.436 GPRESSURE: 4126200 -243.517 60.2546 181.542 9.47073 -233.506 180.806 70.6731 24.8479 -91.822 PRESSAVG: 4126200 39.1327 -52.9684 10.9834 -52.9685 -48.8684 102.842 10.9834 102.842 -24.1108 GPRESSAVG: 4126200 37.785 -52.3579 10.0244 -51.5327 -47.1507 101.672 10.2271 103.079 -24.42 TIMING: 4126200 CPU: 13358.8, 0.0031159/step Wall: 13358.8, 0.00311589/step, 0.756297 hours remaining, 235.859375 MB of memory in use. ENERGY: 4126200 4027.9157 20612.8202 14441.8484 263.9155 -203270.5638 2403.5847 0.0000 0.0000 52116.0822 -109404.3972 299.5118 -161520.4794 -109036.7590 300.1432 -214.2504 -189.6151 759887.2446 -11.2822 -11.2619 PRESSURE: 4126400 -38.5801 -142.843 -78.6178 -142.843 -137.824 -233.608 -78.6178 -233.608 -298.439 GPRESSURE: 4126400 13.2283 -287.165 139.817 -187.034 -116.81 -215.183 -50.2635 -179.222 -281.456 PRESSAVG: 4126400 -13.6611 -56.4672 64.5037 -56.4672 -40.1364 37.2112 64.5037 37.2113 7.81889 GPRESSAVG: 4126400 -11.2781 -58.5057 64.4176 -53.9224 -42.1144 38.735 66.5393 37.8213 7.47625 TIMING: 4126400 CPU: 13359.4, 0.00311287/step Wall: 13359.4, 0.00311287/step, 0.75539 hours remaining, 235.859375 MB of memory in use. ENERGY: 4126400 4039.4972 20518.2158 14465.4066 253.2759 -203399.1970 2448.2032 0.0000 0.0000 52144.1120 -109530.4863 299.6729 -161674.5983 -109176.2909 299.5070 -158.2810 -128.3460 760332.9921 -15.3262 -15.3054 PRESSURE: 4126600 271.851 -77.8315 233.422 -77.832 118.031 -164.085 233.422 -164.085 -105.698 GPRESSURE: 4126600 274.529 -14.5455 258.419 -16.9288 238.874 -202.578 272.995 -92.9255 -140.676 PRESSAVG: 4126600 20.1296 -21.4598 12.8959 -21.4598 -33.855 -12.9533 12.896 -12.9533 -10.0438 GPRESSAVG: 4126600 18.1216 -16.8949 13.6633 -24.2371 -32.184 -12.5742 14.0939 -14.2094 -9.40383 TIMING: 4126600 CPU: 13360.1, 0.00312012/step Wall: 13360.1, 0.00312012/step, 0.756975 hours remaining, 235.859375 MB of memory in use. ENERGY: 4126600 3925.9666 20526.4288 14423.2643 261.1649 -203444.8388 2697.0912 0.0000 0.0000 52017.5414 -109593.3816 298.9455 -161610.9230 -109225.1883 299.6793 94.7280 124.2421 761518.2896 -7.9231 -7.8221 PRESSURE: 4126800 144.832 -157.932 -125.802 -157.933 -22.4522 -27.8916 -125.802 -27.8917 -75.798 GPRESSURE: 4126800 135.18 -225.829 -86.4861 -105.289 24.9089 1.03219 -136.647 -69.0763 -12.8965 PRESSAVG: 4126800 73.0083 -81.8793 -6.11211 -81.8793 -14.6346 30.7192 -6.11218 30.7192 -47.4531 GPRESSAVG: 4126800 73.1836 -85.5556 -5.31997 -79.0981 -15.345 30.3938 -8.51874 31.4773 -46.5922 TIMING: 4126800 CPU: 13360.7, 0.00313166/step Wall: 13360.7, 0.00313166/step, 0.759601 hours remaining, 235.859375 MB of memory in use. ENERGY: 4126800 4005.5826 20659.2418 14527.6431 240.9361 -203030.8200 2312.7908 0.0000 0.0000 51840.8368 -109443.7889 297.9300 -161284.6257 -109082.5907 300.0054 15.5272 49.0641 760411.3735 3.6402 3.7488 PRESSURE: 4127000 -57.5227 16.0156 -79.2894 16.0146 -335.259 -64.1048 -79.2887 -64.1041 281.963 GPRESSURE: 4127000 -20.8522 -16.9981 -201.458 99.995 -220.492 17.4427 -53.822 -167.647 197.046 PRESSAVG: 4127000 55.1993 -41.0489 10.3407 -41.0489 -61.4361 19.226 10.3407 19.226 3.12198 GPRESSAVG: 4127000 54.9978 -39.0703 7.48832 -44.3759 -59.9656 18.9572 12.2969 21.0236 1.7883 TIMING: 4127000 CPU: 13361.3, 0.00311922/step Wall: 13361.3, 0.00311922/step, 0.756411 hours remaining, 235.929688 MB of memory in use. ENERGY: 4127000 4040.5071 20648.5331 14480.0449 258.7775 -203699.4275 2556.1845 0.0000 0.0000 52237.1942 -109478.1861 300.2079 -161715.3803 -109114.1540 299.2334 -36.9396 -14.7661 761126.4339 -1.0383 -1.0598 PRESSURE: 4127200 -93.9276 -33.2531 23.4877 -33.2526 -232.232 -85.9741 23.4876 -85.9745 -316.444 GPRESSURE: 4127200 -109.855 -99.8561 -93.6197 -85.2762 -123.448 -95.6427 10.7839 -0.511848 -337.99 PRESSAVG: 4127200 6.443 -49.5371 14.7646 -49.5372 33.3201 -3.04861 14.7645 -3.04862 -9.2018 GPRESSAVG: 4127200 5.90194 -50.6153 15.9085 -47.5121 32.7404 -2.53991 12.075 -4.22864 -8.16782 TIMING: 4127200 CPU: 13361.9, 0.00312049/step Wall: 13361.9, 0.00312049/step, 0.756546 hours remaining, 235.929688 MB of memory in use. ENERGY: 4127200 3960.7622 20561.8751 14445.1077 265.2259 -203281.1813 2426.6888 0.0000 0.0000 52125.5934 -109495.9283 299.5665 -161621.5217 -109130.5302 299.8412 -214.2010 -190.4308 760094.3605 10.1871 10.1582 PRESSURE: 4127400 -136.654 93.6769 -221.827 93.6779 -213.389 -25.4615 -221.827 -25.4609 114.58 GPRESSURE: 4127400 40.7033 102.03 -282.225 177.83 -215.592 -6.21582 -102.465 143.959 38.7278 PRESSAVG: 4127400 10.7805 -17.5618 -10.8352 -17.5618 -40.8474 9.11534 -10.8352 9.11536 32.4958 GPRESSAVG: 4127400 11.9326 -17.5552 -9.79402 -18.0454 -40.6597 8.68883 -10.2108 9.40379 30.9018 TIMING: 4127400 CPU: 13362.6, 0.00309527/step Wall: 13362.6, 0.00309527/step, 0.750258 hours remaining, 235.929688 MB of memory in use. ENERGY: 4127400 4010.5213 20555.5425 14488.4624 267.5176 -203742.0704 2607.6020 0.0000 0.0000 52446.3015 -109366.1230 301.4096 -161812.4245 -109003.2285 300.4628 -78.4874 -45.3870 760622.0643 0.8096 0.7249 PRESSURE: 4127600 -115.106 -11.6149 210.489 -11.6151 67.7753 -14.591 210.489 -14.5914 -198.149 GPRESSURE: 4127600 -49.8241 93.533 188.603 62.8701 34.4359 -31.2545 129.822 77.1472 -142.36 PRESSAVG: 4127600 22.4648 -1.1088 -10.963 -1.10879 -14.6477 4.8532 -10.963 4.85323 11.756 GPRESSAVG: 4127600 22.7977 0.222403 -12.7099 -0.311955 -15.4838 3.79477 -9.54314 5.27019 11.8048 TIMING: 4127600 CPU: 13363.2, 0.00309764/step Wall: 13363.2, 0.00309764/step, 0.75066 hours remaining, 235.929688 MB of memory in use. ENERGY: 4127600 3976.2840 20775.6526 14469.5128 255.5030 -203580.8992 2693.7454 0.0000 0.0000 52120.8603 -109289.3411 299.5393 -161410.2014 -108926.1600 300.4486 -81.8267 -52.5829 762809.4306 6.5244 6.3729 PRESSURE: 4127800 55.5883 -63.945 220.031 -63.9441 -96.5793 -71.9547 220.033 -71.9542 229.495 GPRESSURE: 4127800 44.2897 -5.97826 217.678 -25.4527 17.5604 -77.937 215.22 -63.6531 194.877 PRESSAVG: 4127800 18.272 -19.3307 39.9258 -19.3307 -49.0898 -4.10729 39.9258 -4.10733 -2.49824 GPRESSAVG: 4127800 16.3232 -18.8349 40.538 -19.3173 -48.1483 -3.51198 37.2967 -3.4447 -1.93517 TIMING: 4127800 CPU: 13363.8, 0.00310674/step Wall: 13363.8, 0.00310674/step, 0.752695 hours remaining, 235.929688 MB of memory in use. ENERGY: 4127800 3946.5965 20424.1798 14422.7425 279.4960 -203234.5331 2474.8605 0.0000 0.0000 52167.4839 -109519.1739 299.8072 -161686.6578 -109138.0492 300.1889 62.8347 85.5757 761435.2923 -11.1053 -11.2534 PRESSURE: 4128000 -102.602 -9.53137 -33.6678 -9.53072 -330.731 122.131 -33.668 122.131 -257.404 GPRESSURE: 4128000 2.05252 -84.0049 -73.7475 -88.4628 -394.592 61.7311 -4.06044 57.3865 -217.345 PRESSAVG: 4128000 38.6802 -49.3226 -32.4982 -49.3226 -7.93619 3.49156 -32.4983 3.49155 -2.10993 GPRESSAVG: 4128000 38.9207 -50.6537 -31.7031 -50.4604 -9.22797 3.49364 -29.4411 1.31633 -0.797097 TIMING: 4128000 CPU: 13364.4, 0.00309524/step Wall: 13364.4, 0.00309524/step, 0.749735 hours remaining, 235.929688 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: 4128000 4012.4421 20577.6311 14393.5123 249.0591 -203404.9974 2520.4708 0.0000 0.0000 51966.0729 -109685.8091 298.6497 -161651.8820 -109318.8125 299.1069 -230.2458 -203.2947 761031.2601 9.5447 9.6319 PRESSURE: 4128200 121.495 7.98766 -198.126 7.98761 -321.813 123.591 -198.126 123.591 -131.632 GPRESSURE: 4128200 153.866 80.4633 -135.58 3.02694 -326.659 134.301 -120.675 161.487 -87.7671 PRESSAVG: 4128200 46.6592 -63.3025 -63.2303 -63.3025 -50.9253 36.1175 -63.2302 36.1175 17.5771 GPRESSAVG: 4128200 47.0725 -62.873 -63.3516 -62.2203 -50.4843 35.6381 -62.9986 36.4536 16.6826 TIMING: 4128200 CPU: 13365, 0.00310709/step Wall: 13365, 0.00310709/step, 0.752434 hours remaining, 235.929688 MB of memory in use. ENERGY: 4128200 4063.8800 20374.8785 14417.8720 241.2454 -203639.0632 2672.8152 0.0000 0.0000 52231.9136 -109636.4585 300.1775 -161868.3721 -109262.3466 299.0204 -110.6503 -86.8531 761064.8123 4.4370 4.4236 LDB: ============= START OF LOAD BALANCING ============== 13377.5 LDB: ============== END OF LOAD BALANCING =============== 13377.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13377.5 LDB: ============= START OF LOAD BALANCING ============== 13377.8 LDB: Largest compute 7059 load 0.032853 is 16.8% of average load 0.195614 LDB: Average compute 0.004398 is 2.2% of average load 0.195614 LDB: TIME 13377.8 LOAD: AVG 0.195614 MAX 0.2135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.703 MB LDB: TIME 13377.8 LOAD: AVG 0.195614 MAX 0.2135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: TIME 13377.8 LOAD: AVG 0.195614 MAX 0.2135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: ============== END OF LOAD BALANCING =============== 13377.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13377.8 PRESSURE: 4128400 42.4953 -314.862 63.083 -314.862 -386.127 127.55 63.0829 127.549 448.689 GPRESSURE: 4128400 79.7003 -204.435 14.9979 -149.332 -305.154 131.039 133.909 106.354 433.24 PRESSAVG: 4128400 72.0026 -33.5806 24.7599 -33.5807 -20.8333 27.5146 24.7598 27.5145 -0.0510449 GPRESSAVG: 4128400 72.6503 -33.0009 26.3041 -33.3301 -21.3854 27.204 22.6791 28.9831 -0.432837 TIMING: 4128400 CPU: 13365.7, 0.0031759/step Wall: 13365.7, 0.00317589/step, 0.768919 hours remaining, 234.617188 MB of memory in use. ENERGY: 4128400 4040.8476 20558.7900 14396.7556 229.5697 -203847.4729 3083.6378 0.0000 0.0000 52219.6236 -109318.2486 300.1069 -161537.8722 -108957.7785 299.1717 35.0192 69.2621 760251.5729 17.0394 16.9440 PRESSURE: 4128600 75.3777 6.76344 312.304 6.76294 -186.458 -119.643 312.304 -119.643 -125.843 GPRESSURE: 4128600 123.849 -46.9089 284.666 -26.2521 -223.408 -226.327 406.495 86.3289 -43.1348 PRESSAVG: 4128600 64.6313 -62.8077 -15.3098 -62.8078 -38.1718 -3.60099 -15.3098 -3.601 19.7206 GPRESSAVG: 4128600 64.7411 -64.2971 -16.2344 -61.6128 -37.7115 -3.85577 -14.3538 -4.08086 19.1097 TIMING: 4128600 CPU: 13366.3, 0.00312421/step Wall: 13366.3, 0.00312421/step, 0.756233 hours remaining, 235.015625 MB of memory in use. ENERGY: 4128600 4058.1390 20346.6258 14386.6937 235.6422 -203601.7044 2577.3696 0.0000 0.0000 52490.5195 -109506.7147 301.6637 -161997.2342 -109133.6597 299.8116 -78.9745 -47.5648 760848.0480 15.3934 15.3798 PRESSURE: 4128800 -220.927 127.145 141.047 127.145 -172.593 19.1468 141.047 19.1463 -16.8322 GPRESSURE: 4128800 -222.962 140.296 178.204 178.893 -96.9558 4.57016 51.6081 109.023 -23.9489 PRESSAVG: 4128800 38.0289 1.70736 8.48111 1.70734 -54.2607 23.5754 8.48113 23.5754 31.8165 GPRESSAVG: 4128800 35.9649 3.87255 8.2636 -0.898919 -54.0998 24.2477 8.17932 24.6561 33.6367 TIMING: 4128800 CPU: 13366.9, 0.00312484/step Wall: 13366.9, 0.00312484/step, 0.756212 hours remaining, 235.015625 MB of memory in use. ENERGY: 4128800 3998.7831 20532.2716 14430.9168 241.7159 -203467.9183 2625.1214 0.0000 0.0000 52186.3019 -109452.8076 299.9154 -161639.1095 -109081.4352 299.5872 -136.7842 -114.6222 762164.3049 5.1949 5.1673 PRESSURE: 4129000 182.165 -26.2392 -148.453 -26.24 -124.384 92.6072 -148.455 92.6078 68.2464 GPRESSURE: 4129000 167.03 -103.68 -113.919 37.0338 34.1921 49.5102 -193.024 15.3018 -25.5214 PRESSAVG: 4129000 48.1735 -39.7781 3.05704 -39.778 -52.4106 -9.85266 3.05703 -9.85266 17.1676 GPRESSAVG: 4129000 48.5672 -42.6366 2.36124 -37.3254 -51.1811 -9.9721 2.35637 -10.2175 15.3973 TIMING: 4129000 CPU: 13367.5, 0.00311418/step Wall: 13367.5, 0.00311418/step, 0.753459 hours remaining, 235.015625 MB of memory in use. ENERGY: 4129000 3931.8365 20379.8593 14428.4045 250.2564 -203737.3790 2694.5116 0.0000 0.0000 52263.6192 -109788.8917 300.3597 -162052.5108 -109430.9414 299.4464 42.0092 58.5670 761724.3237 4.3101 4.2611 PRESSURE: 4129200 -277.891 -9.86675 -237.313 -9.86705 -215.579 136.593 -237.313 136.593 -543.842 GPRESSURE: 4129200 -339.335 -63.8792 -227.324 -148.177 -168.331 209.948 -199.5 -61.0323 -454.682 PRESSAVG: 4129200 -1.66415 40.9341 13.8907 40.9341 -41.92 -30.1849 13.8906 -30.1849 -2.16986 GPRESSAVG: 4129200 -2.02442 41.3688 14.2729 37.9509 -42.2871 -30.0099 12.7178 -29.3799 -1.07196 TIMING: 4129200 CPU: 13368.2, 0.00311165/step Wall: 13368.2, 0.00311165/step, 0.752674 hours remaining, 235.015625 MB of memory in use. ENERGY: 4129200 3971.8496 20561.1527 14420.5322 260.3872 -203336.3532 2473.3634 0.0000 0.0000 52022.8276 -109626.2405 298.9759 -161649.0681 -109265.6576 299.7865 -345.7706 -320.7826 762720.8052 -15.2513 -15.1278 PRESSURE: 4129400 100.755 -155.522 44.432 -155.523 3.20252 202.034 44.4317 202.034 0.584719 GPRESSURE: 4129400 167.024 -159.392 43.8405 -100.715 4.01445 213.82 -32.0835 68.3703 18.1897 PRESSAVG: 4129400 14.2596 14.6771 23.6216 14.6772 8.32684 14.6527 23.6216 14.6527 -17.8116 GPRESSAVG: 4129400 15.5602 17.2907 23.1926 16.1327 7.38968 13.8751 25.5931 12.5603 -17.7725 TIMING: 4129400 CPU: 13368.8, 0.00311472/step Wall: 13368.8, 0.00311472/step, 0.753244 hours remaining, 235.015625 MB of memory in use. ENERGY: 4129400 3997.2200 20424.3075 14433.0124 249.6299 -203547.6485 2641.6745 0.0000 0.0000 52029.3196 -109772.4846 299.0132 -161801.8042 -109402.0066 298.9129 34.8474 63.0761 760931.4973 1.5916 1.7258 PRESSURE: 4129600 14.2471 -7.02598 268.802 -7.02664 161.221 -125.746 268.803 -125.746 107.363 GPRESSURE: 4129600 -24.5131 0.939449 241.558 -138.981 208.36 -122.556 283.19 -181.59 189.894 PRESSAVG: 4129600 33.9715 42.0101 5.7871 42.0101 -27.6558 10.346 5.78706 10.346 -2.32288 GPRESSAVG: 4129600 34.2282 39.6794 5.53896 43.6594 -27.5806 12.8061 5.79389 10.7802 -2.2661 TIMING: 4129600 CPU: 13369.4, 0.00312557/step Wall: 13369.4, 0.00312557/step, 0.755692 hours remaining, 235.015625 MB of memory in use. ENERGY: 4129600 3984.5859 20635.6638 14443.6475 235.9174 -203680.7453 2812.4450 0.0000 0.0000 51766.7031 -109801.7825 297.5040 -161568.4856 -109449.0116 298.6923 94.2770 124.5803 762409.6058 1.3310 1.4605 PRESSURE: 4129800 -166.334 -12.5317 210.997 -12.5314 394.042 39.3241 210.997 39.3227 475.908 GPRESSURE: 4129800 -128.611 -55.35 209.13 -14.671 485.059 22.0704 219.548 -161.158 441.373 PRESSAVG: 4129800 38.241 -35.2648 23.0484 -35.2648 -43.9521 1.87617 23.0484 1.87619 6.57067 GPRESSAVG: 4129800 37.437 -34.3037 24.2019 -37.0739 -43.6076 -0.299743 20.4369 3.28665 6.39271 TIMING: 4129800 CPU: 13370, 0.00310698/step Wall: 13370, 0.00310698/step, 0.751025 hours remaining, 235.015625 MB of memory in use. ENERGY: 4129800 3917.3761 20502.6008 14538.1553 270.4307 -203456.2555 2562.9173 0.0000 0.0000 51830.5005 -109834.2748 297.8706 -161664.7753 -109471.9705 298.5809 234.5386 265.9405 761211.6393 0.2865 0.0740 PRESSURE: 4130000 -336.134 70.0472 -89.2397 70.0488 -80.3536 -56.2011 -89.24 -56.2014 -134.231 GPRESSURE: 4130000 -201.145 48.7452 -181.835 142.588 -101.922 -112.461 -53.9503 -37.5863 -128.523 PRESSAVG: 4130000 12.8409 -8.40408 -2.28114 -8.4041 -14.833 -8.39402 -2.28113 -8.39408 -0.790147 GPRESSAVG: 4130000 13.2392 -6.25741 -3.2415 -9.38174 -14.4184 -7.7223 1.11337 -9.74602 -0.912457 TIMING: 4130000 CPU: 13370.7, 0.00311549/step Wall: 13370.7, 0.00311549/step, 0.752911 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4130000 3980.3658 20522.7549 14425.6918 263.5907 -203471.2285 2586.4990 0.0000 0.0000 51820.7367 -109871.5896 297.8145 -161692.3263 -109513.2875 298.4829 -183.5729 -143.8634 762261.3483 -0.9274 -0.6972 PRESSURE: 4130200 323.982 -52.2744 4.81731 -52.2747 -127.628 -76.8364 4.81732 -76.8368 -106.366 GPRESSURE: 4130200 281.056 -111.221 -72.2858 -6.25382 -9.1208 -110.038 -40.1792 61.1218 -91.6661 PRESSAVG: 4130200 50.6807 -16.5084 -6.41448 -16.5084 -70.3667 15.5974 -6.41446 15.5973 -6.2976 GPRESSAVG: 4130200 49.8184 -19.3166 -7.03165 -16.8039 -69.7038 15.7128 -8.05641 17.7174 -5.91732 TIMING: 4130200 CPU: 13371.3, 0.00312242/step Wall: 13371.3, 0.00312242/step, 0.754411 hours remaining, 235.015625 MB of memory in use. ENERGY: 4130200 3996.4897 20617.2722 14496.2164 270.8559 -203530.4066 2648.4451 0.0000 0.0000 51911.4045 -109589.7228 298.3356 -161501.1273 -109239.6640 298.5911 29.9962 60.0895 762697.3717 -8.6612 -8.6009 PRESSURE: 4130400 -11.6413 -12.8635 -56.2284 -12.8641 91.1495 22.8975 -56.2273 22.8972 65.2673 GPRESSURE: 4130400 -80.7513 28.5753 -18.4246 29.1603 182.72 8.52586 5.31594 -33.9567 115.79 PRESSAVG: 4130400 -7.1707 -18.0528 34.012 -18.0528 -24.0088 -6.72227 34.012 -6.72219 11.6191 GPRESSAVG: 4130400 -5.47291 -15.6153 35.7758 -18.0589 -25.5212 -6.56986 31.921 -9.31245 12.1272 TIMING: 4130400 CPU: 13371.9, 0.00313477/step Wall: 13371.9, 0.00313477/step, 0.75722 hours remaining, 235.015625 MB of memory in use. ENERGY: 4130400 3948.6656 20490.0544 14466.1103 249.1599 -203720.8633 2834.6220 0.0000 0.0000 52082.1745 -109650.0766 299.3170 -161732.2511 -109285.3310 299.2069 48.2585 72.5864 761145.4010 -6.5201 -6.2889 PRESSURE: 4130600 -53.3394 119.186 -53.87 119.185 -110.876 -62.7524 -53.8698 -62.7516 43.3654 GPRESSURE: 4130600 -23.8687 121.405 -47.6702 3.94543 -70.9138 -119.777 -38.711 -187.133 61.0521 PRESSAVG: 4130600 -18.6458 -21.718 1.47891 -21.718 49.883 -26.3339 1.47885 -26.3339 12.9109 GPRESSAVG: 4130600 -19.219 -22.1108 0.159714 -21.9482 51.0434 -28.0988 3.53406 -24.8459 12.0507 TIMING: 4130600 CPU: 13372.5, 0.00314018/step Wall: 13372.5, 0.00314018/step, 0.758353 hours remaining, 235.015625 MB of memory in use. ENERGY: 4130600 3949.9852 20603.5514 14442.9238 253.4352 -203538.7245 2625.8324 0.0000 0.0000 52192.0332 -109470.9633 299.9483 -161662.9965 -109109.2163 299.2337 -40.2833 -11.2435 760195.4566 14.7160 14.6250 PRESSURE: 4130800 -18.1914 80.2558 -154.359 80.2559 62.1703 -138.517 -154.36 -138.518 -281.393 GPRESSURE: 4130800 41.5587 -3.42712 -86.8129 122.004 94.9938 -172.466 -160.529 16.0693 -304.63 PRESSAVG: 4130800 -10.9576 -28.6206 5.34503 -28.6206 -36.464 -38.9285 5.34504 -38.9284 11.9252 GPRESSAVG: 4130800 -9.85649 -27.2257 6.08101 -28.6704 -36.743 -37.5428 4.74507 -38.0128 11.0656 TIMING: 4130800 CPU: 13373.2, 0.00314173/step Wall: 13373.2, 0.00314173/step, 0.758553 hours remaining, 235.015625 MB of memory in use. ENERGY: 4130800 4070.9355 20608.8913 14454.6725 243.2815 -203372.5828 2463.5821 0.0000 0.0000 52196.9192 -109334.3007 299.9764 -161531.2199 -108967.5344 299.8629 -79.1380 -56.0257 761629.6485 -11.8321 -11.8446 PRESSURE: 4131000 35.1466 39.7405 208.129 39.7414 -29.056 -1.79402 208.13 -1.79342 -251.993 GPRESSURE: 4131000 100.097 57.8186 126.724 -94.4564 -33.908 38.9573 229.89 -167.409 -214.716 PRESSAVG: 4131000 60.3913 44.4765 27.4431 44.4766 -36.8286 -13.6303 27.4432 -13.6303 -19.1522 GPRESSAVG: 4131000 60.2121 41.3937 24.9527 45.7474 -37.4058 -12.9817 26.7839 -14.8608 -18.7252 TIMING: 4131000 CPU: 13373.8, 0.00311472/step Wall: 13373.8, 0.00311472/step, 0.751859 hours remaining, 235.015625 MB of memory in use. ENERGY: 4131000 4080.7185 20590.1562 14507.5302 242.3405 -203704.6725 2931.5082 0.0000 0.0000 51926.2798 -109426.1392 298.4210 -161352.4189 -109065.0823 299.8765 -81.9675 -49.5089 760643.5047 1.4702 1.3604 PRESSURE: 4131200 -39.1533 69.9286 169.704 69.9286 158.753 -299.618 169.704 -299.618 25.3767 GPRESSURE: 4131200 3.67722 -45.433 159.955 117.558 176.207 -253.164 154.119 -233.609 61.7566 PRESSAVG: 4131200 14.7326 18.7391 -22.968 18.7392 24.0776 -28.4648 -22.968 -28.4648 4.03267 GPRESSAVG: 4131200 14.9779 20.6204 -21.4031 19.7667 22.1598 -29.1797 -22.8755 -29.0794 5.17898 TIMING: 4131200 CPU: 13374.4, 0.00312069/step Wall: 13374.4, 0.00312069/step, 0.753127 hours remaining, 235.015625 MB of memory in use. ENERGY: 4131200 3951.0945 20513.0114 14516.4374 259.3692 -203493.0682 2657.9979 0.0000 0.0000 52222.6204 -109372.5374 300.1241 -161595.1579 -109009.3683 299.5770 48.3255 80.5469 761752.8343 14.2810 14.1056 PRESSURE: 4131400 -112.652 67.3493 -158.825 67.3498 272.742 -200.561 -158.826 -200.56 62.616 GPRESSURE: 4131400 -46.0427 19.1555 -28.9435 23.6244 340.75 -174.275 -75.4638 -140.788 10.7034 PRESSAVG: 4131400 47.3391 -5.20045 3.30134 -5.20045 -14.7708 -62.3517 3.30131 -62.3517 18.158 GPRESSAVG: 4131400 47.1238 -5.4522 2.49796 -5.84817 -14.2956 -63.3382 2.86163 -62.2361 17.6219 TIMING: 4131400 CPU: 13375, 0.00313988/step Wall: 13375, 0.00313988/step, 0.757584 hours remaining, 235.015625 MB of memory in use. ENERGY: 4131400 4019.0858 20604.6471 14516.1998 246.9882 -203758.9700 3050.1299 0.0000 0.0000 52025.9569 -109295.9624 298.9939 -161321.9192 -108935.0668 299.3709 74.2353 101.8035 762151.2740 16.9087 16.8167 PRESSURE: 4131600 -68.5347 -151.852 -169.069 -151.853 -10.0512 61.659 -169.069 61.6591 1.78837 GPRESSURE: 4131600 -110.949 -192.765 -158.497 -159.469 101.626 -29.4244 -153.017 213.083 19.3321 PRESSAVG: 4131600 51.9628 2.71136 -18.1312 2.71129 -79.2652 -20.7436 -18.1313 -20.7436 6.22014 GPRESSAVG: 4131600 51.1636 2.62266 -18.9124 0.521029 -78.3992 -19.0799 -16.2677 -20.6587 5.82552 TIMING: 4131600 CPU: 13375.7, 0.00313758/step Wall: 13375.7, 0.00313758/step, 0.756853 hours remaining, 235.015625 MB of memory in use. ENERGY: 4131600 4024.4372 20422.2926 14491.0267 233.3919 -203684.8269 2846.8399 0.0000 0.0000 52273.3847 -109393.4540 300.4159 -161666.8387 -109022.5871 299.7898 -25.5992 3.3363 762339.2752 -7.0274 -7.1367 PRESSURE: 4131800 -117.181 191.143 -222.273 191.143 8.58136 -0.359761 -222.272 -0.359245 -255.956 GPRESSURE: 4131800 2.29204 191.286 -259.106 191.401 -56.116 -19.3017 -142.763 56.7904 -234.021 PRESSAVG: 4131800 -18.6984 -15.1049 -26.329 -15.1049 33.8985 -57.9935 -26.329 -57.9936 3.00937 GPRESSAVG: 4131800 -18.0303 -15.5282 -23.7988 -15.5085 33.0674 -59.2764 -27.4566 -58.5222 3.3105 TIMING: 4131800 CPU: 13376.3, 0.00311729/step Wall: 13376.3, 0.00311729/step, 0.751786 hours remaining, 235.015625 MB of memory in use. ENERGY: 4131800 3986.5900 20463.1429 14472.4118 231.4516 -203053.4503 2442.9653 0.0000 0.0000 52179.2491 -109277.6395 299.8749 -161456.8886 -108911.0087 299.4830 -121.5184 -95.9484 763782.3605 6.0698 6.1159 PRESSURE: 4132000 61.8128 197.536 -28.4301 197.536 24.5243 -62.8346 -28.4304 -62.8356 250.774 GPRESSURE: 4132000 43.7484 181.317 12.6256 98.1163 55.1919 -52.5224 26.8155 -95.9052 320.997 PRESSAVG: 4132000 70.2895 32.4439 -7.77442 32.4439 -75.5338 16.9416 -7.77441 16.9417 -25.5626 GPRESSAVG: 4132000 71.1442 33.7662 -7.25886 33.9959 -75.3315 16.3009 -7.03148 18.0311 -26.3666 TIMING: 4132000 CPU: 13376.9, 0.00312076/step Wall: 13376.9, 0.00312076/step, 0.75245 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4132000 3979.0173 20502.9310 14442.8796 266.6010 -203514.6261 2821.0613 0.0000 0.0000 52306.7253 -109195.4106 300.6075 -161502.1359 -108821.6267 299.9514 112.3703 139.9792 761438.7938 -10.2690 -10.1846 PRESSURE: 4132200 -6.6207 138.114 227.474 138.115 -85.4128 155.817 227.473 155.817 -466.995 GPRESSURE: 4132200 99.6077 130.359 210.044 129.402 -171.336 106.926 151.364 135.883 -409.407 PRESSAVG: 4132200 51.856 2.48811 17.0138 2.48811 -27.1797 -42.1874 17.0138 -42.1875 13.7883 GPRESSAVG: 4132200 49.7839 1.39691 17.2815 2.83159 -26.8007 -42.2218 14.9619 -42.5604 15.1409 TIMING: 4132200 CPU: 13377.5, 0.00312399/step Wall: 13377.5, 0.00312399/step, 0.753054 hours remaining, 235.015625 MB of memory in use. ENERGY: 4132200 3966.9326 20711.7803 14393.0214 245.2291 -203286.9321 2551.5470 0.0000 0.0000 52279.8850 -109138.5366 300.4532 -161418.4216 -108778.2132 300.2566 -186.3427 -160.3784 762315.7914 12.8216 12.7080 LDB: ============= START OF LOAD BALANCING ============== 13390 LDB: ============== END OF LOAD BALANCING =============== 13390 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13390 LDB: ============= START OF LOAD BALANCING ============== 13390.3 LDB: Largest compute 7058 load 0.033397 is 17.1% of average load 0.195615 LDB: Average compute 0.004380 is 2.2% of average load 0.195615 LDB: TIME 13390.3 LOAD: AVG 0.195615 MAX 0.218591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 13390.3 LOAD: AVG 0.195615 MAX 0.218591 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: TIME 13390.3 LOAD: AVG 0.195615 MAX 0.216124 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: ============== END OF LOAD BALANCING =============== 13390.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13390.3 PRESSURE: 4132400 -200.177 89.1004 183.391 89.1003 -151.4 -31.5381 183.391 -31.5368 224.924 GPRESSURE: 4132400 -207.939 5.59339 160.655 190.493 -15.7475 0.401874 114.537 51.6964 211.583 PRESSAVG: 4132400 59.5301 -1.32676 46.9824 -1.32674 -33.2663 -28.6759 46.9823 -28.6758 15.4971 GPRESSAVG: 4132400 59.5277 -0.597542 45.3907 -2.93891 -33.6932 -26.9246 47.7682 -28.3873 15.9736 TIMING: 4132400 CPU: 13378.2, 0.00318175/step Wall: 13378.2, 0.00318174/step, 0.7668 hours remaining, 235.132812 MB of memory in use. ENERGY: 4132400 3999.1164 20453.9481 14490.3634 260.7737 -202939.4556 2421.8195 0.0000 0.0000 52092.4564 -109220.9780 299.3761 -161313.4344 -108854.1151 300.3359 -42.2175 -4.0347 761999.2172 13.9203 13.9360 PRESSURE: 4132600 -20.5394 55.4051 33.9286 55.4041 -131.229 -147.201 33.9285 -147.202 542.609 GPRESSURE: 4132600 -30.2246 35.8577 39.1149 -24.3328 -54.9066 -178.046 86.3128 -92.8971 553.397 PRESSAVG: 4132600 -20.4382 38.1583 43.8619 38.1583 48.811 -19.0817 43.862 -19.0817 -10.0973 GPRESSAVG: 4132600 -20.9616 36.477 45.2074 38.3153 49.2403 -20.0021 43.0528 -18.0341 -10.7537 TIMING: 4132600 CPU: 13378.8, 0.00310466/step Wall: 13378.8, 0.00310467/step, 0.748052 hours remaining, 235.132812 MB of memory in use. ENERGY: 4132600 3925.7822 20571.1129 14461.8567 226.2926 -202843.1904 2372.7616 0.0000 0.0000 52091.7418 -109193.6425 299.3720 -161285.3843 -108829.5302 299.6169 130.2803 156.0887 761491.2113 6.0918 5.8417 PRESSURE: 4132800 -165.482 -29.8422 -49.2897 -29.8425 -344.539 52.6903 -49.29 52.6907 80.781 GPRESSURE: 4132800 -78.7188 48.7057 -62.7435 -65.8623 -319.202 68.1519 88.6333 -18.8836 44.7356 PRESSAVG: 4132800 9.1966 -40.4841 42.6698 -40.4841 -10.7929 -11.0104 42.6698 -11.0104 10.5859 GPRESSAVG: 4132800 9.26981 -38.5764 43.0263 -40.2519 -10.6532 -10.9691 43.3347 -14.1716 10.4327 TIMING: 4132800 CPU: 13379.4, 0.00310385/step Wall: 13379.4, 0.00310384/step, 0.747682 hours remaining, 235.207031 MB of memory in use. ENERGY: 4132800 3984.4995 20546.1017 14469.5748 224.6755 -203528.0427 2630.1186 0.0000 0.0000 52461.2292 -109211.8433 301.4954 -161673.0725 -108850.0398 299.8566 -143.0800 -117.7285 762860.4887 2.9965 3.0164 PRESSURE: 4133000 0.117092 39.3003 -115.497 39.2998 -4.54199 98.9382 -115.497 98.9388 -108.002 GPRESSURE: 4133000 9.26514 17.2674 -116.411 -27.2686 -5.18588 50.7844 -58.092 114.091 -50.0252 PRESSAVG: 4133000 96.4783 8.75571 5.29039 8.75571 -54.6996 3.29395 5.29042 3.29392 -9.36422 GPRESSAVG: 4133000 96.2194 8.86252 2.76758 8.87173 -55.2298 3.15467 7.04492 3.58031 -8.95143 TIMING: 4133000 CPU: 13380, 0.00310713/step Wall: 13380, 0.00310713/step, 0.7483 hours remaining, 235.207031 MB of memory in use. ENERGY: 4133000 3963.8021 20607.7263 14458.8235 268.8296 -203145.6369 2407.5540 0.0000 0.0000 52180.3481 -109258.5533 299.8812 -161438.9014 -108893.4107 300.4385 -37.4755 -15.3153 761927.4407 10.8048 10.6794 PRESSURE: 4133200 -37.5939 0.815951 -16.2547 0.814181 15.2883 -257.104 -16.2546 -257.103 -47.4508 GPRESSURE: 4133200 -28.8875 -81.7642 5.17506 2.58465 83.3381 -173.974 88.5222 -96.74 -24.0581 PRESSAVG: 4133200 33.6799 11.0761 45.1369 11.0762 -52.3275 -21.87 45.1369 -21.8701 1.49678 GPRESSAVG: 4133200 33.5909 10.1702 48.7019 11.1211 -52.6097 -20.5145 41.7958 -20.1681 1.694 TIMING: 4133200 CPU: 13380.7, 0.00310271/step Wall: 13380.7, 0.00310271/step, 0.747064 hours remaining, 235.207031 MB of memory in use. ENERGY: 4133200 3969.2317 20508.5264 14401.2956 236.8258 -203379.6722 2681.5573 0.0000 0.0000 52169.7861 -109412.4493 299.8205 -161582.2354 -109039.1804 299.9096 -23.2521 10.1308 762500.4619 -5.7169 -5.7750 PRESSURE: 4133400 50.1361 -71.9668 92.3687 -71.9665 -101.628 101.117 92.3687 101.115 -197.828 GPRESSURE: 4133400 176.055 -178.327 133.314 -183.501 -93.5111 113.976 31.4479 149.113 -221.278 PRESSAVG: 4133400 25.3474 37.8321 27.6861 37.8322 26.7955 21.713 27.6861 21.713 -9.18766 GPRESSAVG: 4133400 26.9267 36.8049 25.8206 39.1127 27.6334 20.2655 28.5163 20.9733 -10.685 TIMING: 4133400 CPU: 13381.3, 0.00309259/step Wall: 13381.3, 0.00309259/step, 0.744455 hours remaining, 235.277344 MB of memory in use. ENERGY: 4133400 4063.8025 20490.9619 14467.0824 235.0302 -203218.6450 2605.5531 0.0000 0.0000 52091.9832 -109264.2316 299.3733 -161356.2148 -108909.7787 300.0500 -83.1065 -46.2449 761115.7302 14.3184 14.6250 PRESSURE: 4133600 297.523 266.053 -14.595 266.053 -195.884 -110.881 -14.5946 -110.882 141.461 GPRESSURE: 4133600 285.349 288.932 -26.5176 195.486 -52.1161 -118.92 -22.0706 -134.111 116.874 PRESSAVG: 4133600 -21.9172 54.2788 16.2074 54.2788 -41.2195 53.8337 16.2074 53.8337 4.66018 GPRESSAVG: 4133600 -23.3933 54.8961 16.3629 52.206 -41.8046 55.2804 15.8384 54.8196 6.71676 TIMING: 4133600 CPU: 13381.9, 0.00309822/step Wall: 13381.9, 0.00309822/step, 0.745637 hours remaining, 235.277344 MB of memory in use. ENERGY: 4133600 3991.8038 20399.6366 14506.1620 226.4349 -203544.9766 2774.5315 0.0000 0.0000 52293.1794 -109353.2285 300.5296 -161646.4079 -108983.9620 299.8341 81.0331 116.7023 760853.7670 -19.4922 -19.4937 PRESSURE: 4133800 -33.9062 146.933 4.89646 146.933 -283.676 -87.3329 4.89626 -87.3329 -329.471 GPRESSURE: 4133800 -153.839 161.03 16.1211 115.342 -158.821 -72.5572 19.4557 -100.861 -265.926 PRESSAVG: 4133800 -20.7028 16.8457 31.2481 16.8457 2.32175 -8.67347 31.248 -8.67348 -0.227805 GPRESSAVG: 4133800 -20.0935 17.9589 29.9821 18.7052 1.89211 -8.5865 33.6702 -9.59837 -0.709761 TIMING: 4133800 CPU: 13382.5, 0.00311294/step Wall: 13382.5, 0.00311294/step, 0.749007 hours remaining, 235.277344 MB of memory in use. ENERGY: 4133800 4082.9577 20444.2348 14487.9327 213.0029 -203200.9140 2630.8297 0.0000 0.0000 52028.2899 -109313.6663 299.0073 -161341.9562 -108957.6796 299.8744 -215.6843 -192.8621 761992.0688 -6.2030 -6.3037 PRESSURE: 4134000 -43.4649 -27.9283 -84.4212 -27.9292 315.056 58.4883 -84.421 58.4886 126.112 GPRESSURE: 4134000 -9.76827 -52.9481 -149.07 20.5397 327.697 38.8794 -51.1718 131.42 183.497 PRESSAVG: 4134000 -53.655 -33.3813 69.337 -33.3813 52.8147 22.3684 69.337 22.3684 -0.620176 GPRESSAVG: 4134000 -53.5516 -33.6613 70.466 -35.8338 52.6325 21.0722 67.2515 21.9198 -0.980513 TIMING: 4134000 CPU: 13383.1, 0.00310625/step Wall: 13383.1, 0.00310625/step, 0.747227 hours remaining, 235.277344 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: 4134000 3995.1811 20566.4029 14448.6900 246.4319 -203418.4630 2448.0152 0.0000 0.0000 52158.4062 -109555.3357 299.7551 -161713.7419 -109191.1197 299.6320 132.5677 167.1421 759874.4371 -0.4868 -0.6332 PRESSURE: 4134200 176.521 -150.561 163.761 -150.561 257.919 97.8307 163.76 97.8319 -184.688 GPRESSURE: 4134200 235.99 -277.65 72.9178 -71.8687 221.735 83.4711 233.519 175.764 -133.628 PRESSAVG: 4134200 -22.3455 17.7639 1.12322 17.7639 -11.1383 -18.7416 1.12319 -18.7417 16.5504 GPRESSAVG: 4134200 -22.1452 18.5982 -0.903907 17.8096 -11.8103 -17.2553 2.69431 -16.917 17.1315 TIMING: 4134200 CPU: 13383.8, 0.0031002/step Wall: 13383.8, 0.0031002/step, 0.745598 hours remaining, 235.277344 MB of memory in use. ENERGY: 4134200 3964.7964 20469.0810 14486.1414 254.2278 -203278.3971 2375.2655 0.0000 0.0000 52097.0741 -109631.8110 299.4026 -161728.8851 -109264.0779 299.2361 83.2508 108.0321 761399.0045 -5.6445 -5.6080 PRESSURE: 4134400 22.5987 210.201 113.034 210.201 -46.7157 68.0816 113.034 68.0818 -56.4763 GPRESSURE: 4134400 104.836 147.511 125.783 125.153 -94.8952 160.935 165.126 37.4479 -28.6351 PRESSAVG: 4134400 -8.98498 27.0118 -9.90642 27.0118 38.3287 6.01072 -9.90643 6.01066 -2.81145 GPRESSAVG: 4134400 -8.25766 24.2985 -8.39397 29.8074 38.8204 6.10362 -9.93819 5.32471 -3.86341 TIMING: 4134400 CPU: 13384.4, 0.00310384/step Wall: 13384.4, 0.00310384/step, 0.746301 hours remaining, 235.277344 MB of memory in use. ENERGY: 4134400 3975.5421 20424.5663 14450.9619 224.4567 -203331.6834 2533.5807 0.0000 0.0000 52067.3312 -109655.2446 299.2317 -161722.5758 -109291.5477 298.7406 -26.8644 -6.2315 762332.8467 8.8441 8.8998 PRESSURE: 4134600 -79.1395 61.3562 51.0765 61.3556 -323.074 -80.3894 51.0769 -80.3881 137.742 GPRESSURE: 4134600 -122.212 62.0476 47.5079 29.2234 -262.745 -83.5164 46.2244 -66.4987 207.772 PRESSAVG: 4134600 40.954 61.8742 -18.4431 61.8742 -29.1458 -22.6366 -18.4431 -22.6366 2.66552 GPRESSAVG: 4134600 38.3581 66.0817 -18.4412 59.7022 -27.4477 -23.8841 -20.0111 -22.6824 3.61052 TIMING: 4134600 CPU: 13385, 0.00312318/step Wall: 13385, 0.00312318/step, 0.750778 hours remaining, 235.277344 MB of memory in use. ENERGY: 4134600 4017.0411 20619.5691 14431.3904 235.7566 -203556.0452 2509.0077 0.0000 0.0000 52204.7365 -109538.5440 300.0213 -161743.2804 -109176.8521 299.4697 -88.1573 -59.0617 760894.2874 4.8246 4.8403 PRESSURE: 4134800 252.581 -47.0323 -54.0969 -47.0319 232.313 -47.1569 -54.0971 -47.1573 55.2073 GPRESSURE: 4134800 205.177 -40.226 1.38688 -83.6007 195.142 -24.8066 -71.685 -93.555 191.255 PRESSAVG: 4134800 43.7755 21.4861 -38.1058 21.4862 -86.9265 -19.3472 -38.1058 -19.3473 13.7568 GPRESSAVG: 4134800 43.582 18.9805 -39.8178 20.9266 -87.7551 -18.632 -37.272 -20.1308 13.7246 TIMING: 4134800 CPU: 13385.6, 0.00311774/step Wall: 13385.6, 0.00311774/step, 0.749296 hours remaining, 235.277344 MB of memory in use. ENERGY: 4134800 4038.4275 20745.9010 14362.6704 237.7061 -203572.6540 2673.7172 0.0000 0.0000 52124.8646 -109389.3672 299.5623 -161514.2318 -109020.4430 299.6698 180.0335 197.1914 758758.5615 -9.7981 -10.1495 PRESSURE: 4135000 252.824 -88.0317 -224.708 -88.0325 -172.188 157.823 -224.709 157.823 311.665 GPRESSURE: 4135000 295.386 -106.066 -228.419 -78.7504 -92.0817 85.2594 -189.018 125.703 269.827 PRESSAVG: 4135000 50.3604 -26.8632 -8.84455 -26.8631 -50.8551 -37.2712 -8.84448 -37.2712 2.50747 GPRESSAVG: 4135000 50.9034 -25.0278 -7.63545 -25.5242 -51.8865 -37.3829 -8.94136 -36.8517 2.73939 TIMING: 4135000 CPU: 13386.3, 0.00312096/step Wall: 13386.3, 0.00312096/step, 0.749897 hours remaining, 235.277344 MB of memory in use. ENERGY: 4135000 3971.8361 20677.2016 14386.8498 264.0392 -203458.8183 2516.6232 0.0000 0.0000 52454.5458 -109187.7226 301.4570 -161642.2684 -108824.6783 300.6081 130.7670 157.7104 760677.0325 0.6709 0.5854 PRESSURE: 4135200 -100.642 -44.6075 -208.973 -44.6075 76.5049 -88.7233 -208.973 -88.724 375.858 GPRESSURE: 4135200 -74.271 -107.503 -148.136 -82.0076 122.126 -29.185 -258.392 -121.064 386.855 PRESSAVG: 4135200 42.7248 6.66965 -32.9943 6.66962 -6.07835 1.99612 -32.9943 1.99611 12.5273 GPRESSAVG: 4135200 42.3472 5.17625 -32.1981 7.50378 -5.48157 0.294814 -32.524 2.80274 12.4073 TIMING: 4135200 CPU: 13386.9, 0.00311616/step Wall: 13386.9, 0.00311616/step, 0.74857 hours remaining, 235.277344 MB of memory in use. ENERGY: 4135200 3976.5370 20606.7724 14429.4687 231.1951 -203408.6974 2696.4090 0.0000 0.0000 52416.2142 -109052.1011 301.2367 -161468.3153 -108689.3387 301.1114 117.2404 144.9032 761330.2285 16.3913 16.4243 PRESSURE: 4135400 93.2163 67.396 5.63161 67.3961 292.435 78.7973 5.63096 78.7973 -58.7108 GPRESSURE: 4135400 278.339 120.584 84.0927 156.445 185.648 167.027 50.495 -18.5252 -30.0664 PRESSAVG: 4135400 14.6075 -29.6868 -6.21749 -29.6869 5.34754 -14.7236 -6.21749 -14.7237 3.04841 GPRESSAVG: 4135400 14.477 -29.2852 -6.67491 -30.443 4.98528 -13.6984 -6.76191 -16.4466 3.33396 TIMING: 4135400 CPU: 13387.5, 0.00310322/step Wall: 13387.5, 0.00310322/step, 0.745291 hours remaining, 235.277344 MB of memory in use. ENERGY: 4135400 3952.8578 20730.8348 14376.5762 247.9289 -203323.1590 2569.0161 0.0000 0.0000 52243.1853 -109202.7601 300.2423 -161445.9453 -108828.7976 300.6260 108.9802 144.6401 760915.9136 7.6678 7.5987 PRESSURE: 4135600 -117.877 -64.0433 -69.2428 -64.0438 213.245 -63.0638 -69.2411 -63.0637 524.82 GPRESSURE: 4135600 27.2827 -142.698 -52.5699 -101.547 203.059 -12.4189 -106.484 26.9128 456.406 PRESSAVG: 4135600 25.7486 -15.5294 -35.4768 -15.5295 47.9742 85.621 -35.4769 85.6211 -11.1893 GPRESSAVG: 4135600 26.0005 -16.78 -37.639 -15.4259 47.7802 84.7536 -35.6934 88.2438 -11.3946 TIMING: 4135600 CPU: 13388.1, 0.00312531/step Wall: 13388.1, 0.00312531/step, 0.750423 hours remaining, 235.277344 MB of memory in use. ENERGY: 4135600 3894.4018 20714.6561 14493.2046 238.7868 -203242.0691 2527.6783 0.0000 0.0000 52365.0636 -109008.2778 300.9427 -161373.3414 -108638.6003 300.7049 206.7295 228.9158 762382.0061 20.8445 20.7954 PRESSURE: 4135800 95.0139 78.7363 -15.2245 78.7356 298.548 204.446 -15.2238 204.445 44.6355 GPRESSURE: 4135800 175.904 18.4526 23.9619 -78.4359 226.383 180.625 32.0126 111.63 121.132 PRESSAVG: 4135800 -10.2906 5.05318 -26.1164 5.05314 -7.18869 17.39 -26.1164 17.39 4.74358 GPRESSAVG: 4135800 -10.4082 6.16807 -26.0459 4.04498 -7.28951 18.2541 -26.631 17.2548 4.80268 TIMING: 4135800 CPU: 13388.8, 0.00314624/step Wall: 13388.8, 0.00314624/step, 0.755273 hours remaining, 235.277344 MB of memory in use. ENERGY: 4135800 4078.6329 20467.4697 14455.8066 245.3944 -203345.6550 2670.8670 0.0000 0.0000 52270.2347 -109157.2497 300.3978 -161427.4843 -108807.1636 300.3862 146.0659 174.4728 761349.1559 -4.2452 -4.2984 PRESSURE: 4136000 -201.431 158.062 90.9358 158.063 -319.211 48.2216 90.9349 48.2206 -302.559 GPRESSURE: 4136000 -185.951 115.089 152.991 171.617 -257.53 36.5234 78.2871 -80.4246 -290.821 PRESSAVG: 4136000 -26.7557 -7.38276 27.882 -7.38274 36.9269 33.5997 27.882 33.5996 20.003 GPRESSAVG: 4136000 -26.2185 -9.18288 28.9773 -6.13943 36.5408 34.8405 29.418 32.4507 19.9678 TIMING: 4136000 CPU: 13389.4, 0.00315332/step Wall: 13389.4, 0.00315332/step, 0.756797 hours remaining, 235.277344 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: 4136000 4044.0330 20577.1853 14479.0029 248.0775 -203193.7592 2231.3759 0.0000 0.0000 52380.0361 -109234.0485 301.0288 -161614.0846 -108878.8260 300.4794 -274.4004 -244.7672 762639.1449 10.0581 10.0967 PRESSURE: 4136200 22.206 -58.4615 -80.9873 -58.4615 1.27281 -183.496 -80.9868 -183.497 288.927 GPRESSURE: 4136200 67.637 -60.4834 -121.881 -54.87 56.9676 -178.846 -24.9892 -120.657 261.2 PRESSAVG: 4136200 -10.2957 -20.4167 52.621 -20.4167 9.3336 1.28396 52.621 1.28409 -11.517 GPRESSAVG: 4136200 -11.7782 -19.4733 52.2814 -22.0798 10.0792 -1.10547 51.8767 2.89341 -11.7892 TIMING: 4136200 CPU: 13390, 0.00318554/step Wall: 13390, 0.00318554/step, 0.764353 hours remaining, 235.277344 MB of memory in use. ENERGY: 4136200 3926.4748 20497.9155 14485.7708 239.3913 -203362.7353 2568.3394 0.0000 0.0000 52210.9902 -109433.8533 300.0573 -161644.8435 -109065.7669 299.5040 104.1354 128.6016 762128.7532 -4.1597 -4.4960 LDB: ============= START OF LOAD BALANCING ============== 13402.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13402.4 LDB: =============== DONE WITH MIGRATION ================ 13402.5 LDB: ============= START OF LOAD BALANCING ============== 13402.8 LDB: Largest compute 7027 load 0.033620 is 17.2% of average load 0.195475 LDB: Average compute 0.004406 is 2.3% of average load 0.195475 LDB: TIME 13402.8 LOAD: AVG 0.195475 MAX 0.218344 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 13402.8 LOAD: AVG 0.195475 MAX 0.218344 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: TIME 13402.8 LOAD: AVG 0.195475 MAX 0.217837 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: ============== END OF LOAD BALANCING =============== 13402.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13402.8 PRESSURE: 4136400 -280.561 77.5134 14.3804 77.513 -527.486 -43.8901 14.3811 -43.889 -14.7676 GPRESSURE: 4136400 -325.818 56.6789 85.3504 75.4028 -380.818 -69.2415 -3.36453 -130.154 -48.4007 PRESSAVG: 4136400 -3.73365 12.127 4.01439 12.127 26.8193 32.2875 4.01437 32.2875 9.00399 GPRESSAVG: 4136400 -3.60978 10.9941 3.53799 13.63 26.8899 33.1396 3.51506 31.6767 8.30093 TIMING: 4136400 CPU: 13390.7, 0.00323412/step Wall: 13390.7, 0.00323412/step, 0.775829 hours remaining, 234.625000 MB of memory in use. ENERGY: 4136400 4016.4584 20526.0093 14431.3223 249.5334 -203222.2091 2384.6560 0.0000 0.0000 52108.6537 -109505.5760 299.4691 -161614.2297 -109148.1787 299.3764 -274.2714 -251.6791 763563.1423 10.6965 10.5270 PRESSURE: 4136600 16.6725 -117.257 -176.732 -117.257 259.117 -110.083 -176.732 -110.083 82.1236 GPRESSURE: 4136600 33.2928 -3.58487 -176.387 -84.1079 379.456 -53.2657 -187.86 -173.817 46.3745 PRESSAVG: 4136600 -25.9659 -28.9085 -3.70492 -28.9085 -17.0886 -26.4717 -3.70492 -26.4718 -22.5421 GPRESSAVG: 4136600 -24.4735 -26.677 -3.92282 -29.5435 -18.807 -25.977 -1.98604 -23.9011 -21.9147 TIMING: 4136600 CPU: 13391.3, 0.00314004/step Wall: 13391.3, 0.00314004/step, 0.753086 hours remaining, 235.144531 MB of memory in use. ENERGY: 4136600 4005.1512 20433.8118 14541.6056 221.0948 -203538.1401 2763.5630 0.0000 0.0000 52089.4361 -109483.4776 299.3587 -161572.9137 -109120.4718 299.6913 119.3043 153.0412 763180.9431 -21.8655 -21.7317 PRESSURE: 4136800 52.2854 175.006 48.9686 175.007 166.303 186.784 48.9681 186.784 118.104 GPRESSURE: 4136800 136.958 81.6144 151.512 -5.93309 174.267 176.945 48.8724 71.8585 122.214 PRESSAVG: 4136800 -22.5021 -25.1413 -22.7127 -25.1413 -22.5676 34.0539 -22.7127 34.0539 11.7187 GPRESSAVG: 4136800 -23.633 -25.4967 -22.6143 -27.1691 -21.4438 34.0137 -23.0414 30.4618 11.7731 TIMING: 4136800 CPU: 13391.9, 0.00313393/step Wall: 13391.9, 0.00313393/step, 0.751447 hours remaining, 235.152344 MB of memory in use. ENERGY: 4136800 3946.5738 20555.5124 14461.2485 253.3112 -203678.7398 2665.7792 0.0000 0.0000 52148.5290 -109647.7858 299.6983 -161796.3148 -109284.0786 299.6882 112.2306 144.4797 759488.6060 -11.1170 -11.1013 PRESSURE: 4137000 278.807 233.675 -173.453 233.675 -138.812 47.9839 -173.453 47.9844 44.9888 GPRESSURE: 4137000 305.015 188.495 -96.2942 124.923 -123.176 14.3967 -198.259 126.862 69.3648 PRESSAVG: 4137000 46.1593 -9.35171 -3.76311 -9.35174 -22.9921 -44.7252 -3.76313 -44.7253 -27.3396 GPRESSAVG: 4137000 46.5325 -10.3537 -2.25627 -6.41415 -24.2747 -44.0178 -4.87133 -43.6301 -26.9526 TIMING: 4137000 CPU: 13392.6, 0.00311225/step Wall: 13392.6, 0.00311225/step, 0.746076 hours remaining, 235.152344 MB of memory in use. ENERGY: 4137000 3966.7692 20656.9620 14407.3856 240.9519 -203685.5839 2681.4061 0.0000 0.0000 52297.9842 -109434.1250 300.5572 -161732.1092 -109071.2404 299.6519 61.6614 83.7344 760376.5326 -1.3908 -1.5649 PRESSURE: 4137200 16.7048 15.3627 104.03 15.3619 -180.769 -194.651 104.03 -194.651 84.7113 GPRESSURE: 4137200 99.1075 136.428 -45.2423 27.5859 -108.987 -274.195 81.3638 -128.489 -6.10111 PRESSAVG: 4137200 -5.86584 -9.13432 -54.2175 -9.13439 23.9329 -19.0381 -54.2175 -19.0381 14.6603 GPRESSAVG: 4137200 -7.38289 -9.72514 -55.6335 -8.06981 24.5671 -19.3347 -54.8213 -17.9756 15.1071 TIMING: 4137200 CPU: 13393.2, 0.00312147/step Wall: 13393.2, 0.00312147/step, 0.748112 hours remaining, 235.222656 MB of memory in use. ENERGY: 4137200 3941.5355 20683.1682 14376.8498 263.6728 -203269.2983 2309.2602 0.0000 0.0000 52334.9007 -109359.9111 300.7694 -161694.8118 -108999.0407 299.7310 -26.4510 -5.3270 761373.1876 10.9091 10.7638 PRESSURE: 4137400 -261.558 197.21 41.7568 197.211 -273.263 179.868 41.7566 179.868 -705.964 GPRESSURE: 4137400 -286.742 202.724 33.6102 174.685 -164.895 104.639 -131.732 145.39 -686.081 PRESSAVG: 4137400 -70.1644 49.1791 36.4919 49.1791 68.2683 27.7879 36.492 27.788 -5.7523 GPRESSAVG: 4137400 -70.592 49.0754 37.3635 47.8539 69.3236 26.8757 36.661 27.7774 -6.29817 TIMING: 4137400 CPU: 13393.8, 0.00310674/step Wall: 13393.8, 0.00310674/step, 0.744409 hours remaining, 235.222656 MB of memory in use. ENERGY: 4137400 4043.3077 20542.8580 14436.9379 235.6522 -203085.0398 2195.7306 0.0000 0.0000 52313.3340 -109317.2195 300.6454 -161630.5535 -108950.0371 299.5327 -413.5948 -379.2392 762030.5982 -2.5495 -2.5222 PRESSURE: 4137600 -336.192 -19.0118 -44.9971 -19.0117 -445.494 0.482388 -44.9965 0.482519 -540.088 GPRESSURE: 4137600 -311.076 150.141 13.5243 59.1306 -399.574 85.6606 -41.8089 41.2871 -534.954 PRESSAVG: 4137600 -9.85786 37.0964 -40.2874 37.0963 37.3627 -32.879 -40.2873 -32.8791 -2.60967 GPRESSAVG: 4137600 -8.93261 41.0185 -41.336 36.248 36.1102 -32.254 -39.0737 -35.7757 -1.30704 TIMING: 4137600 CPU: 13394.4, 0.00312073/step Wall: 13394.4, 0.00312073/step, 0.747587 hours remaining, 235.222656 MB of memory in use. ENERGY: 4137600 3958.9038 20609.9908 14491.5942 237.2419 -202961.6645 2377.2936 0.0000 0.0000 52308.7276 -108977.9125 300.6190 -161286.6401 -108617.6223 300.4253 -440.5915 -415.2013 762894.9039 8.2984 8.6235 PRESSURE: 4137800 -113.38 -11.1788 40.8412 -11.1785 190.593 -163.007 40.8421 -163.008 91.1665 GPRESSURE: 4137800 -38.2354 -74.7881 -15.7546 -85.5475 247.723 -81.8515 88.529 -235.664 34.9817 PRESSAVG: 4137800 -24.3331 8.53852 -22.92 8.53849 29.0711 -31.8372 -22.92 -31.8373 2.05532 GPRESSAVG: 4137800 -23.9072 6.98073 -22.6494 7.51692 29.6578 -32.9279 -23.8423 -31.4655 0.588341 TIMING: 4137800 CPU: 13395, 0.00313792/step Wall: 13395, 0.00313792/step, 0.751532 hours remaining, 235.222656 MB of memory in use. ENERGY: 4137800 4021.4001 20686.4819 14397.1510 239.7003 -203059.0695 2484.7101 0.0000 0.0000 52282.3568 -108947.2694 300.4674 -161229.6263 -108588.1316 300.8009 56.1265 81.4898 761434.6200 2.2644 2.1130 PRESSURE: 4138000 -143.486 29.0327 -42.6277 29.0325 -561.643 63.4025 -42.6277 63.402 64.7842 GPRESSURE: 4138000 -173.59 11.5934 14.4073 -39.3143 -434.741 47.8046 -17.2718 19.668 49.2249 PRESSAVG: 4138000 -17.1435 -23.9813 -10.9882 -23.9813 28.2211 -27.0527 -10.9881 -27.0527 -17.3951 GPRESSAVG: 4138000 -17.4172 -26.4042 -10.6646 -22.456 27.9644 -26.1753 -11.5235 -28.043 -16.9375 TIMING: 4138000 CPU: 13395.7, 0.00311635/step Wall: 13395.7, 0.00311635/step, 0.746193 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4138000 4021.0497 20520.5258 14452.2782 230.8772 -203020.2965 2598.3162 0.0000 0.0000 52354.8646 -108842.3847 300.8841 -161197.2492 -108476.7763 300.6077 -213.4481 -186.3689 763377.4616 -2.1058 -2.1301 PRESSURE: 4138200 99.1474 -119.564 -85.2329 -119.564 -32.4878 96.9925 -85.2327 96.9921 346.266 GPRESSURE: 4138200 169.105 -35.2128 -91.1333 -86.7402 30.5969 -3.45282 -1.90512 106.776 303.276 PRESSAVG: 4138200 18.6404 9.02238 -40.0944 9.02232 -38.8467 -54.606 -40.0944 -54.606 4.92572 GPRESSAVG: 4138200 18.7362 9.61046 -40.5591 8.42286 -37.9047 -56.3066 -39.4527 -52.1081 4.20182 TIMING: 4138200 CPU: 13396.3, 0.00310532/step Wall: 13396.3, 0.00310532/step, 0.743379 hours remaining, 235.222656 MB of memory in use. ENERGY: 4138200 3988.9354 20614.5916 14464.4245 260.0605 -203156.4785 2467.3227 0.0000 0.0000 52526.5990 -108834.5448 301.8711 -161361.1439 -108463.6404 300.7168 137.6420 167.6594 758990.6118 -5.0935 -4.9889 PRESSURE: 4138400 -45.0095 248.552 -126.88 248.552 -113.554 -257.133 -126.88 -257.133 -247.937 GPRESSURE: 4138400 -37.8554 195.779 -131.985 187.848 -31.7147 -223.642 -108.63 -297.759 -281.176 PRESSAVG: 4138400 -55.2034 -3.0147 -19.2106 -3.01468 96.1164 -13.4631 -19.2106 -13.4631 5.57624 GPRESSAVG: 4138400 -54.1577 -3.52971 -17.1682 -1.89651 95.3222 -11.9702 -21.6159 -13.7693 4.80509 TIMING: 4138400 CPU: 13396.9, 0.00310382/step Wall: 13396.9, 0.00310382/step, 0.742848 hours remaining, 235.222656 MB of memory in use. ENERGY: 4138400 3930.2825 20678.4430 14518.0244 247.3120 -202999.7446 2415.4598 0.0000 0.0000 52259.0991 -108951.1237 300.3338 -161210.2229 -108578.7487 301.1483 -135.5002 -116.9154 760611.2019 15.4964 15.3232 PRESSURE: 4138600 -432.114 -152.667 42.493 -152.667 -362.541 125.39 42.4931 125.391 -249.122 GPRESSURE: 4138600 -412.388 -134.629 0.366278 -213.255 -305.077 122.412 175.619 105.676 -248.56 PRESSAVG: 4138600 4.81968 -13.8379 32.3397 -13.8378 16.2955 17.6617 32.3397 17.6616 -13.9341 GPRESSAVG: 4138600 2.69621 -13.1327 29.5926 -13.8365 16.9293 18.6475 36.4403 17.0756 -12.564 TIMING: 4138600 CPU: 13397.5, 0.00311893/step Wall: 13397.5, 0.00311893/step, 0.746292 hours remaining, 235.222656 MB of memory in use. ENERGY: 4138600 4012.1176 20470.3312 14419.0845 249.3559 -202912.9816 2287.6669 0.0000 0.0000 52380.4722 -109093.9533 301.0313 -161474.4255 -108732.1976 300.2984 -347.9256 -322.0087 760820.4646 2.3937 2.3538 PRESSURE: 4138800 16.5153 -111.294 -45.995 -111.293 -52.5633 -58.3867 -45.9938 -58.3861 236.929 GPRESSURE: 4138800 69.7406 -149.56 -40.3767 -84.8633 -29.2886 -118.206 -124.1 -149.789 240.285 PRESSAVG: 4138800 28.7248 -95.5413 41.4004 -95.5412 21.1212 3.21435 41.4004 3.21433 -21.0038 GPRESSAVG: 4138800 30.76 -95.2833 42.08 -95.2951 20.0027 1.29063 40.7574 4.23762 -22.2486 TIMING: 4138800 CPU: 13398.2, 0.00311109/step Wall: 13398.2, 0.00311109/step, 0.744242 hours remaining, 235.222656 MB of memory in use. ENERGY: 4138800 4092.5889 20521.0134 14449.1539 264.3936 -203149.3307 2485.7198 0.0000 0.0000 52230.8519 -109105.6092 300.1714 -161336.4611 -108744.8870 299.9140 66.9602 93.5791 761235.4731 9.6140 9.5047 PRESSURE: 4139000 264.668 6.44549 -126.964 6.44554 -51.8194 286.683 -126.963 286.683 560.767 GPRESSURE: 4139000 262.077 104.319 -86.4075 2.78734 117.824 235.502 -147.276 217.698 476.756 PRESSAVG: 4139000 4.24999 -18.2556 -21.7975 -18.2555 -34.4226 27.3486 -21.7975 27.3487 4.1162 GPRESSAVG: 4139000 3.79431 -18.6624 -20.7931 -18.7029 -34.1069 28.5226 -24.0436 26.9932 4.3657 TIMING: 4139000 CPU: 13398.8, 0.00312821/step Wall: 13398.8, 0.00312821/step, 0.748164 hours remaining, 235.222656 MB of memory in use. ENERGY: 4139000 3955.5199 20474.0133 14507.8473 262.7355 -203520.2293 2957.7166 0.0000 0.0000 52222.4466 -109139.9502 300.1231 -161362.3968 -108775.7214 300.1562 257.8717 285.5521 761069.0220 -8.6855 -8.6490 PRESSURE: 4139200 -66.3922 -7.53687 183.641 -7.53613 -100.217 91.2178 183.641 91.2184 -319.135 GPRESSURE: 4139200 -50.6022 34.4652 199.842 -64.0488 -68.3785 165.285 185.124 73.3624 -277.849 PRESSAVG: 4139200 28.437 2.88236 27.5868 2.88232 13.8608 4.19763 27.5868 4.19771 22.1107 GPRESSAVG: 4139200 27.8397 3.71917 26.9089 2.93293 14.2271 4.62026 29.7978 4.06142 22.5694 TIMING: 4139200 CPU: 13399.4, 0.00312037/step Wall: 13399.4, 0.00312037/step, 0.746115 hours remaining, 235.222656 MB of memory in use. ENERGY: 4139200 3962.6061 20687.0233 14500.7469 271.0003 -203157.8058 2363.5912 0.0000 0.0000 52059.4635 -109313.3746 299.1865 -161372.8381 -108958.8736 299.7872 -161.9147 -132.2767 760548.3955 21.4695 21.5454 PRESSURE: 4139400 -183.971 116.451 -111.63 116.451 -102.914 -126.163 -111.631 -126.163 247.394 GPRESSURE: 4139400 -170.147 61.2577 -63.909 86.8308 -16.5591 -94.1331 -162.088 -62.2441 245.334 PRESSAVG: 4139400 -15.3565 42.2975 38.482 42.2976 12.6223 -25.4296 38.482 -25.4296 -3.34995 GPRESSAVG: 4139400 -13.7039 40.836 39.5835 42.39 12.4887 -28.7202 36.9252 -24.6506 -4.16236 TIMING: 4139400 CPU: 13400, 0.00316312/step Wall: 13400, 0.00316312/step, 0.756162 hours remaining, 235.222656 MB of memory in use. ENERGY: 4139400 3907.6330 20582.9589 14402.7559 256.9254 -203269.9652 2683.3673 0.0000 0.0000 52143.3939 -109292.9307 299.6688 -161436.3247 -108926.1610 299.9747 -13.1635 19.5428 763415.1318 -2.0280 -1.7925 PRESSURE: 4139600 -6.54458 -12.8314 261.732 -12.8319 -321.404 -36.5279 261.731 -36.5279 -112.395 GPRESSURE: 4139600 17.4676 53.1083 204.464 -73.0789 -311.559 -22.541 214.926 -124.527 -62.8057 PRESSAVG: 4139600 -44.9587 36.8322 -38.4884 36.8321 39.7213 26.9983 -38.4885 26.9984 3.47268 GPRESSAVG: 4139600 -46.6166 38.1218 -41.0961 36.1666 39.7628 27.4727 -38.9662 28.3018 5.09151 TIMING: 4139600 CPU: 13400.7, 0.00313865/step Wall: 13400.7, 0.00313865/step, 0.750138 hours remaining, 235.222656 MB of memory in use. ENERGY: 4139600 3979.8994 20583.8753 14437.9481 242.2209 -203335.5675 2520.2469 0.0000 0.0000 52157.1120 -109414.2649 299.7476 -161571.3769 -109055.6363 299.6607 -146.7811 -118.9656 760738.1067 -0.5882 -0.5874 PRESSURE: 4139800 -103.331 -48.6056 -65.4962 -48.6054 -130.099 -134.105 -65.4962 -134.105 -224.249 GPRESSURE: 4139800 -113.672 -56.8351 -200.169 -8.61489 -33.334 -297.39 52.3995 -193.524 -231.959 PRESSAVG: 4139800 -16.3803 32.5631 39.2336 32.5631 -10.2488 -17.8079 39.2336 -17.8079 17.9967 GPRESSAVG: 4139800 -16.4832 31.4321 40.39 32.4805 -8.76954 -16.1776 38.4668 -19.0097 16.4895 TIMING: 4139800 CPU: 13401.3, 0.00311194/step Wall: 13401.3, 0.00311194/step, 0.74358 hours remaining, 235.222656 MB of memory in use. ENERGY: 4139800 4000.9871 20523.4679 14426.9269 244.6059 -203293.2484 2521.3014 0.0000 0.0000 52055.2427 -109520.7165 299.1622 -161575.9592 -109157.5148 299.6634 -152.5598 -126.3216 759969.7284 -2.8774 -2.9211 PRESSURE: 4140000 42.315 201.381 -53.8931 201.38 -206.421 74.6582 -53.8944 74.658 -10.0588 GPRESSURE: 4140000 52.6397 103.543 -154.55 132.867 -162.519 85.8557 38.7507 129.21 32.2539 PRESSAVG: 4140000 31.6427 -21.5382 25.7376 -21.5383 -44.7941 -9.80196 25.7377 -9.80199 -12.8299 GPRESSAVG: 4140000 32.5416 -18.9714 27.0824 -23.066 -45.8231 -9.50864 25.7954 -11.2259 -12.7016 TIMING: 4140000 CPU: 13401.9, 0.00311787/step Wall: 13401.9, 0.00311787/step, 0.744824 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 4114.0846 20542.3920 14443.0046 239.5791 -203771.7669 2881.9618 0.0000 0.0000 52029.3428 -109521.4020 299.0133 -161550.7448 -109160.4082 299.6903 -58.0549 -25.8750 759817.8223 -8.6604 -8.6610 PRESSURE: 4140200 -302.612 42.1138 47.2004 42.1137 -62.2996 -74.1502 47.2005 -74.1506 -89.1768 GPRESSURE: 4140200 -232.485 24.8093 36.6933 129.648 -48.1687 79.2489 185.665 -57.0025 -76.9853 PRESSAVG: 4140200 15.8707 -6.59195 59.6698 -6.59192 -8.21488 29.7713 59.6697 29.7713 3.2256 GPRESSAVG: 4140200 16.8825 -8.71561 57.6003 -4.98568 -8.54347 28.4567 62.0338 32.6143 2.5459 TIMING: 4140200 CPU: 13402.5, 0.00310413/step Wall: 13402.5, 0.00310413/step, 0.74137 hours remaining, 235.222656 MB of memory in use. ENERGY: 4140200 3991.5855 20640.7869 14399.2539 239.2066 -203246.2081 2350.2545 0.0000 0.0000 52163.6189 -109461.5017 299.7850 -161625.1207 -109106.6135 299.6505 -151.3629 -119.2129 761501.6025 3.6272 3.6283 LDB: ============= START OF LOAD BALANCING ============== 13415 LDB: ============== END OF LOAD BALANCING =============== 13415 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13415 LDB: ============= START OF LOAD BALANCING ============== 13415.3 LDB: Largest compute 7058 load 0.035493 is 18.1% of average load 0.195641 LDB: Average compute 0.004360 is 2.2% of average load 0.195641 LDB: TIME 13415.3 LOAD: AVG 0.195641 MAX 0.217528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 13415.3 LOAD: AVG 0.195641 MAX 0.217528 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 13415.3 LOAD: AVG 0.195641 MAX 0.217528 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 13415.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13415.3 PRESSURE: 4140400 -123.498 200.963 -91.0196 200.963 -101.814 -130.374 -91.0196 -130.373 329.078 GPRESSURE: 4140400 -107.126 95.7274 -138.058 186.002 56.2732 -110.724 -35.6178 -223.741 252.413 PRESSAVG: 4140400 -1.60815 13.2599 55.1842 13.2599 -24.198 21.37 55.1843 21.37 3.7376 GPRESSAVG: 4140400 -2.93828 15.4259 57.3499 11.7529 -22.887 21.9707 54.0097 19.8678 4.34362 TIMING: 4140400 CPU: 13403.2, 0.00317852/step Wall: 13403.2, 0.00317852/step, 0.758959 hours remaining, 234.171875 MB of memory in use. ENERGY: 4140400 3909.6157 20509.7796 14497.2559 239.2333 -203252.5057 2583.0934 0.0000 0.0000 52104.2549 -109409.2730 299.4439 -161513.5279 -109047.7562 299.9442 34.5887 67.1869 762695.0270 -7.3562 -7.1605 PRESSURE: 4140600 -25.332 18.1823 80.9544 18.1826 147.499 -8.82003 80.9533 -8.82099 238.411 GPRESSURE: 4140600 70.5107 -43.4245 94.221 53.5235 130.033 51.489 54.0657 37.0397 233.861 PRESSAVG: 4140600 -31.4616 -30.021 27.4192 -30.0209 29.5845 -14.4435 27.4191 -14.4434 -19.1652 GPRESSAVG: 4140600 -29.8795 -33.774 27.4879 -27.6478 29.3713 -13.463 26.3655 -16.3226 -19.9096 TIMING: 4140600 CPU: 13403.8, 0.0031373/step Wall: 13403.8, 0.0031373/step, 0.748944 hours remaining, 234.371094 MB of memory in use. ENERGY: 4140600 3916.6518 20563.5985 14494.1130 245.0987 -203492.8508 2694.4009 0.0000 0.0000 52232.3720 -109346.6157 300.1802 -161578.9877 -108973.5598 300.0055 120.1927 144.8017 760784.6556 -7.0141 -6.8059 PRESSURE: 4140800 227.344 -35.1284 -111.927 -35.1284 47.1309 -41.603 -111.928 -41.6037 402.136 GPRESSURE: 4140800 207.632 -127.587 5.04637 -123.585 127.997 -14.8166 -17.8322 -99.3577 429.384 PRESSAVG: 4140800 -34.0173 -60.0983 89.3526 -60.0983 3.95036 -37.526 89.3527 -37.526 22.698 GPRESSAVG: 4140800 -33.6035 -57.2017 86.7229 -61.1307 2.43329 -37.599 90.6238 -34.4157 23.3588 TIMING: 4140800 CPU: 13404.4, 0.00313029/step Wall: 13404.4, 0.00313029/step, 0.747096 hours remaining, 234.371094 MB of memory in use. ENERGY: 4140800 3957.7444 20595.2058 14428.8676 233.4941 -203731.8200 2881.4567 0.0000 0.0000 52188.0504 -109447.0009 299.9254 -161635.0514 -109070.3743 299.5055 225.5370 255.0044 761001.8097 -2.4563 -2.6038 PRESSURE: 4141000 202.495 -156.177 22.4201 -156.177 -473.446 134.31 22.4198 134.309 -212.553 GPRESSURE: 4141000 86.6012 -103.555 36.3379 -53.6741 -328.741 152.217 -68.0926 100.75 -170.889 PRESSAVG: 4141000 -17.416 -35.3837 34.0078 -35.3837 9.93587 -34.1349 34.0078 -34.135 -2.28542 GPRESSAVG: 4141000 -19.8522 -34.9675 34.7904 -36.8666 12.2374 -35.3988 31.7635 -34.3384 -1.65226 TIMING: 4141000 CPU: 13405.1, 0.00314079/step Wall: 13405.1, 0.00314079/step, 0.749428 hours remaining, 234.371094 MB of memory in use. ENERGY: 4141000 4030.8416 20610.2778 14490.0731 247.6084 -202934.9281 2295.5048 0.0000 0.0000 51782.6094 -109478.0131 297.5954 -161260.6225 -109114.4893 299.1361 -161.1682 -137.6763 760897.0322 -3.2552 -3.0890 PRESSURE: 4141200 23.8221 88.3381 -178.053 88.3384 -157.483 117.695 -178.053 117.694 20.4656 GPRESSURE: 4141200 -98.4373 103.486 -203.166 122.984 -85.5907 140.742 -48.2839 103.365 117.609 PRESSAVG: 4141200 32.8616 -18.0382 -7.76865 -18.0382 12.4197 41.279 -7.76864 41.2791 10.5521 GPRESSAVG: 4141200 33.8253 -18.1823 -8.45814 -16.057 11.5569 39.1438 -4.94659 40.5515 10.2743 TIMING: 4141200 CPU: 13405.7, 0.00313426/step Wall: 13405.7, 0.00313426/step, 0.747695 hours remaining, 234.371094 MB of memory in use. ENERGY: 4141200 3952.3165 20513.1926 14529.0168 255.8045 -203381.2194 2730.9940 0.0000 0.0000 51894.0942 -109505.8008 298.2361 -161399.8950 -109145.3837 299.6639 -37.7318 -22.1395 762392.7485 18.6111 18.5522 PRESSURE: 4141400 -292.237 -125.314 -250.358 -125.314 -148.85 -56.6864 -250.357 -56.6863 -85.7009 GPRESSURE: 4141400 -275.884 -50.454 -308.43 -112.197 -91.6728 -23.3965 -186.644 -37.2001 -60.325 PRESSAVG: 4141400 40.5855 -34.4621 -52.3999 -34.462 -6.66362 -21.8172 -52.3998 -21.8172 8.53646 GPRESSAVG: 4141400 40.1037 -34.4883 -52.2848 -35.9203 -7.30646 -20.1983 -52.1904 -22.9988 9.34601 TIMING: 4141400 CPU: 13406.3, 0.00312869/step Wall: 13406.3, 0.00312869/step, 0.746193 hours remaining, 234.371094 MB of memory in use. ENERGY: 4141400 4011.9413 20477.7771 14501.4696 255.8272 -203323.2400 2403.3014 0.0000 0.0000 52158.2665 -109514.6569 299.7543 -161672.9234 -109157.7021 299.3207 -175.5960 -142.6274 761745.6110 14.1528 14.0477 PRESSURE: 4141600 -167.5 -394.288 54.3626 -394.289 -10.1415 26.5468 54.3623 26.5474 -477.143 GPRESSURE: 4141600 -59.4927 -358.632 161.105 -389.745 -29.7784 98.6654 -85.1237 -20.3216 -460.407 PRESSAVG: 4141600 82.2109 5.71253 49.492 5.71254 -57.1708 12.9684 49.492 12.9685 -5.96963 GPRESSAVG: 4141600 82.4664 6.86072 51.9963 6.28898 -57.1053 12.4649 47.5445 14.6553 -6.05832 TIMING: 4141600 CPU: 13406.9, 0.00312453/step Wall: 13406.9, 0.00312453/step, 0.745027 hours remaining, 234.371094 MB of memory in use. ENERGY: 4141600 4054.5334 20490.1259 14501.6816 224.3187 -203327.5692 2486.4613 0.0000 0.0000 52040.7924 -109529.6559 299.0791 -161570.4482 -109165.7977 299.2174 -218.2616 -183.2262 760844.9847 6.3568 6.4342 PRESSURE: 4141800 -274.645 157.389 -145.371 157.39 165.136 19.5192 -145.371 19.5181 227.469 GPRESSURE: 4141800 -227.874 173.665 -155.343 308.058 150.673 50.0501 -26.7469 -0.614074 264.037 PRESSAVG: 4141800 3.81634 -19.8033 0.777295 -19.8033 33.7638 17.6485 0.77741 17.6485 10.9992 GPRESSAVG: 4141800 5.06349 -20.4766 -0.691609 -20.0803 33.3388 17.6605 1.77811 16.6547 10.2182 TIMING: 4141800 CPU: 13407.6, 0.00314416/step Wall: 13407.6, 0.00314416/step, 0.749532 hours remaining, 234.371094 MB of memory in use. ENERGY: 4141800 3976.6689 20627.7916 14543.9987 253.8507 -203776.6214 2820.1305 0.0000 0.0000 52067.5884 -109486.5926 299.2331 -161554.1810 -109117.1417 299.5123 39.3198 62.2787 761727.9183 16.1931 16.2068 PRESSURE: 4142000 -167.439 -125.917 5.27336 -125.917 -31.5258 327.799 5.27318 327.799 284.157 GPRESSURE: 4142000 -116.789 -80.8198 40.6601 23.5125 -55.8181 248.73 -37.7816 372.703 322.729 PRESSAVG: 4142000 22.4675 -33.0182 -4.2284 -33.0182 -14.9012 27.1988 -4.22843 27.1987 2.86722 GPRESSAVG: 4142000 20.5444 -34.3908 -4.81023 -32.0217 -14.0631 27.0267 -3.78058 28.3296 3.96651 TIMING: 4142000 CPU: 13408.2, 0.00312903/step Wall: 13408.2, 0.00312903/step, 0.745751 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4142000 3942.1653 20554.4680 14574.0395 262.2243 -203878.6799 2774.3745 0.0000 0.0000 52085.1050 -109686.3031 299.3338 -161771.4082 -109316.2804 299.5516 28.3973 50.0406 761352.2004 3.4778 3.4826 PRESSURE: 4142200 40.4623 174.498 180.104 174.497 -670.324 -79.7663 180.104 -79.7666 -347.04 GPRESSURE: 4142200 16.6238 110.319 130.382 79.2817 -587.753 -65.7308 317.946 -65.8589 -331.902 PRESSAVG: 4142200 29.6225 -34.261 30.521 -34.261 -39.1545 71.4221 30.5211 71.422 -20.0271 GPRESSAVG: 4142200 30.5146 -33.9535 30.6795 -35.5659 -39.9074 72.8372 31.1096 70.9868 -20.7596 TIMING: 4142200 CPU: 13408.8, 0.0031222/step Wall: 13408.8, 0.0031222/step, 0.743951 hours remaining, 234.371094 MB of memory in use. ENERGY: 4142200 3972.5576 20513.4747 14483.9850 239.9834 -203387.8631 2456.1535 0.0000 0.0000 52081.1561 -109640.5529 299.3111 -161721.7089 -109269.0233 298.9560 -325.6337 -301.0104 761604.6639 -9.8530 -10.0508 PRESSURE: 4142400 -215.175 36.5719 96.0044 36.5722 402.441 32.7796 96.0045 32.779 -195.621 GPRESSURE: 4142400 -125.247 -82.6101 129.956 -33.1323 410.808 -6.63964 6.19681 -97.7288 -205.454 PRESSAVG: 4142400 63.7841 -51.9079 22.633 -51.9079 -64.5584 2.00979 22.6331 2.00966 5.64881 GPRESSAVG: 4142400 63.7231 -53.3726 23.1164 -49.7359 -64.2495 0.790248 21.4035 2.6626 5.16137 TIMING: 4142400 CPU: 13409.4, 0.00314832/step Wall: 13409.4, 0.00314832/step, 0.75 hours remaining, 234.371094 MB of memory in use. ENERGY: 4142400 4009.9873 20602.8063 14532.4569 246.3259 -203623.3739 2736.9077 0.0000 0.0000 52043.9787 -109450.9111 299.0975 -161494.8898 -109088.9793 299.5250 -2.7850 26.7023 762248.7254 1.6249 1.5450 PRESSURE: 4142600 171.287 -251.153 195.211 -251.152 -47.425 167.188 195.21 167.187 116.779 GPRESSURE: 4142600 161.286 -207.547 159.595 -170.548 -13.6934 135.461 200.932 110.855 152.093 PRESSAVG: 4142600 39.3365 -2.02153 24.6701 -2.02156 -13.3428 -14.757 24.6701 -14.757 -12.5418 GPRESSAVG: 4142600 39.2097 -0.146369 25.5909 -5.56049 -13.3641 -14.2547 23.3542 -15.8493 -12.165 TIMING: 4142600 CPU: 13410.1, 0.00312369/step Wall: 13410.1, 0.00312369/step, 0.743958 hours remaining, 234.371094 MB of memory in use. ENERGY: 4142600 3971.0616 20750.3546 14508.2452 264.4422 -203744.0355 2652.8406 0.0000 0.0000 51957.2361 -109639.8552 298.5990 -161597.0913 -109285.2869 299.4091 80.2138 99.8952 759491.2312 4.4840 4.5602 PRESSURE: 4142800 -428.798 141.527 -41.9906 141.528 -289.179 17.4407 -41.9913 17.4411 -243.611 GPRESSURE: 4142800 -405.909 138.218 -102.849 118.862 -230.454 149.741 -8.09914 -20.8259 -226.12 PRESSAVG: 4142800 60.4052 -29.2779 6.55036 -29.278 7.48192 3.18294 6.55033 3.18297 -14.3864 GPRESSAVG: 4142800 60.2681 -31.8985 5.40063 -25.5283 7.77493 2.09322 6.3209 5.54058 -14.3738 TIMING: 4142800 CPU: 13410.7, 0.00313377/step Wall: 13410.7, 0.00313377/step, 0.746186 hours remaining, 234.371094 MB of memory in use. ENERGY: 4142800 3976.5713 20584.0301 14465.9305 225.9204 -203689.6273 2546.0061 0.0000 0.0000 52054.2059 -109836.9631 299.1562 -161891.1689 -109471.5598 299.4168 -320.5290 -287.4947 761515.8417 17.8336 17.8897 PRESSURE: 4143000 69.0954 30.9492 430.585 30.9497 -235.981 -85.2986 430.586 -85.2979 -141.06 GPRESSURE: 4143000 127.693 16.87 415.739 29.0164 -222.612 -105.023 299.104 -99.6653 -96.2898 PRESSAVG: 4143000 21.1353 11.9539 18.929 11.9539 -23.215 21.3981 18.9289 21.398 4.13531 GPRESSAVG: 4143000 21.1539 15.7469 20.1783 8.97892 -23.6574 22.894 18.5457 18.5881 4.4842 TIMING: 4143000 CPU: 13411.3, 0.00313017/step Wall: 13411.3, 0.00313017/step, 0.745154 hours remaining, 234.371094 MB of memory in use. ENERGY: 4143000 4000.5890 20488.3228 14496.7289 227.9182 -203595.6413 2505.9041 0.0000 0.0000 51838.0768 -110038.1014 297.9141 -161876.1782 -109675.3914 298.2920 -102.6483 -63.7362 760103.1636 0.6852 0.6602 PRESSURE: 4143200 -17.6512 -126.493 -171.124 -126.493 487.795 -110.006 -171.123 -110.006 89.41 GPRESSURE: 4143200 54.3115 -112.705 -141.098 13.7176 442.82 -85.929 -96.9202 -76.6157 131.989 PRESSAVG: 4143200 16.1734 2.74215 33.1968 2.74206 -23.1375 30.6565 33.1968 30.6566 23.5326 GPRESSAVG: 4143200 16.7386 1.19715 32.3858 4.16154 -23.4975 30.0518 31.7066 32.5564 22.7363 TIMING: 4143200 CPU: 13411.9, 0.00312103/step Wall: 13411.9, 0.00312103/step, 0.742805 hours remaining, 234.371094 MB of memory in use. ENERGY: 4143200 3943.5277 20511.7533 14498.9072 249.2670 -204083.2556 2807.7493 0.0000 0.0000 51941.9402 -110130.1109 298.5110 -162072.0511 -109764.0522 297.9491 186.5178 209.7068 760945.2492 5.5228 5.3258 PRESSURE: 4143400 -239.097 42.0965 113.552 42.0966 -62.8441 188.876 113.552 188.877 -218.21 GPRESSURE: 4143400 -166.234 39.3131 110.863 4.69106 -37.6774 172.403 133.705 86.0409 -244.34 PRESSAVG: 4143400 38.3991 -22.1795 -16.7185 -22.1795 -6.85404 -9.57762 -16.7186 -9.57765 -15.6162 GPRESSAVG: 4143400 38.0215 -23.4935 -15.7059 -23.0393 -6.49857 -11.0442 -14.6995 -9.6685 -15.6495 TIMING: 4143400 CPU: 13412.6, 0.00315465/step Wall: 13412.6, 0.00315465/step, 0.75063 hours remaining, 234.371094 MB of memory in use. ENERGY: 4143400 4040.8945 20450.4552 14519.8765 243.8213 -203687.7929 2388.0697 0.0000 0.0000 51865.5148 -110179.1609 298.0718 -162044.6757 -109809.3454 297.9525 -173.3836 -149.4171 760969.1224 5.3096 5.2911 PRESSURE: 4143600 -35.5504 -258.324 130.038 -258.325 -245.671 53.815 130.038 53.8139 16.2696 GPRESSURE: 4143600 -72.8413 -151.653 98.1305 -279.302 -121.465 10.4228 196.355 110.586 -13.8472 PRESSAVG: 4143600 29.4459 3.22473 5.54707 3.22476 -4.34706 43.17 5.54705 43.17 -2.39834 GPRESSAVG: 4143600 27.8402 4.3675 5.65083 2.90422 -2.81634 42.9452 4.75692 43.6715 -1.85061 TIMING: 4143600 CPU: 13413.2, 0.00312869/step Wall: 13413.2, 0.00312869/step, 0.744279 hours remaining, 234.371094 MB of memory in use. ENERGY: 4143600 3999.9230 20365.3336 14490.0616 249.5804 -203882.2734 2754.0710 0.0000 0.0000 51774.8181 -110248.4858 297.5506 -162023.3039 -109882.5432 298.3474 -88.3172 -69.3846 762053.7477 7.5668 7.7244 PRESSURE: 4143800 94.7651 -55.2356 -8.81889 -55.2351 -173.923 217.654 -8.81892 217.655 -280.556 GPRESSURE: 4143800 13.372 -129.371 -60.3058 -77.9068 -95.4242 236.138 4.01061 -45.6775 -208.78 PRESSAVG: 4143800 -3.15338 -77.4802 -2.53382 -77.4801 -55.9815 -15.7575 -2.53376 -15.7576 -1.2599 GPRESSAVG: 4143800 -2.77588 -76.6473 -2.53035 -76.9098 -57.2915 -14.6486 -1.9569 -17.7002 0.0139852 TIMING: 4143800 CPU: 13413.8, 0.00313545/step Wall: 13413.8, 0.00313545/step, 0.745714 hours remaining, 234.371094 MB of memory in use. ENERGY: 4143800 3957.1532 20547.8040 14403.7239 249.4548 -203411.3310 2472.9864 0.0000 0.0000 51646.8044 -110133.4043 296.8149 -161780.2087 -109766.9311 297.5829 -119.9048 -96.9439 761974.6221 -20.1316 -20.0178 PRESSURE: 4144000 240.768 -249.646 -62.8472 -249.647 10.0238 -184.467 -62.8478 -184.466 -276.153 GPRESSURE: 4144000 263.075 -219.385 -102.096 -161.7 61.392 -216.425 -69.023 -84.9414 -274.139 PRESSAVG: 4144000 62.0371 -42.9291 -5.48692 -42.929 -34.396 -1.87842 -5.48697 -1.87841 24.1981 GPRESSAVG: 4144000 63.0318 -42.2414 -6.23939 -44.2927 -34.5978 -1.96723 -5.22507 -2.34663 23.7059 TIMING: 4144000 CPU: 13414.4, 0.0031187/step Wall: 13414.4, 0.0031187/step, 0.741557 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4144000 4014.8950 20367.6639 14478.2542 242.9045 -203701.4071 2613.9870 0.0000 0.0000 51960.3323 -110023.3702 298.6167 -161983.7026 -109665.7330 297.6895 -8.4535 16.7761 759368.0301 17.2798 17.3800 PRESSURE: 4144200 -70.0167 -48.8777 81.416 -48.8778 -341.049 53.6462 81.4164 53.6462 -356.022 GPRESSURE: 4144200 -108.318 -14.5571 96.1267 -7.33485 -224.195 65.3291 35.6951 14.1139 -352.587 PRESSAVG: 4144200 -14.3969 -66.9086 -0.0114411 -66.9086 -82.0264 -1.42891 -0.0114531 -1.42884 32.5697 GPRESSAVG: 4144200 -14.6576 -69.492 -0.483671 -63.6801 -82.0768 -1.78146 -2.26002 1.27693 32.5745 TIMING: 4144200 CPU: 13415.1, 0.00312555/step Wall: 13415.1, 0.00312555/step, 0.743014 hours remaining, 234.371094 MB of memory in use. ENERGY: 4144200 3990.8032 20483.0420 14443.8841 247.8790 -203827.8702 2839.5703 0.0000 0.0000 51784.6460 -110038.0456 297.6071 -161822.6916 -109684.1063 297.6900 -255.6957 -228.3670 761144.5948 -21.2845 -21.3866 LDB: ============= START OF LOAD BALANCING ============== 13427.5 LDB: ============== END OF LOAD BALANCING =============== 13427.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13427.5 LDB: ============= START OF LOAD BALANCING ============== 13427.8 LDB: Largest compute 7031 load 0.033339 is 17.0% of average load 0.195564 LDB: Average compute 0.004377 is 2.2% of average load 0.195564 LDB: TIME 13427.8 LOAD: AVG 0.195564 MAX 0.221567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 13427.8 LOAD: AVG 0.195564 MAX 0.221567 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 13427.8 LOAD: AVG 0.195564 MAX 0.21405 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 13427.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13427.8 PRESSURE: 4144400 41.235 -25.7752 164.168 -25.7754 -60.5658 -201.953 164.168 -201.953 159.043 GPRESSURE: 4144400 66.4548 -78.1896 112.575 -63.4201 -12.5209 -242.165 71.7791 -235.566 162.462 PRESSAVG: 4144400 12.5906 -17.9501 27.3651 -17.9501 -2.1235 47.6854 27.365 47.6853 3.51734 GPRESSAVG: 4144400 12.6566 -16.9576 28.2956 -18.788 -1.57075 48.1988 28.2796 47.1026 2.62197 TIMING: 4144400 CPU: 13415.7, 0.0031806/step Wall: 13415.7, 0.0031806/step, 0.755922 hours remaining, 236.226562 MB of memory in use. ENERGY: 4144400 4016.8205 20399.6034 14465.7284 252.8550 -203427.9972 2570.9234 0.0000 0.0000 52013.7667 -109708.2997 298.9238 -161722.0664 -109352.2140 298.0286 46.5708 72.1320 762023.4080 4.6615 4.5693 PRESSURE: 4144600 -162.293 -170.198 -7.08649 -170.198 11.1355 -63.9972 -7.08657 -63.9969 -246.791 GPRESSURE: 4144600 -43.0763 -248.924 115.463 -175.445 -58.166 -56.3807 -119.471 -46.2751 -231.334 PRESSAVG: 4144600 36.8449 3.8613 -11.2209 3.86126 4.18984 -8.58638 -11.2208 -8.58635 -12.5393 GPRESSAVG: 4144600 35.3617 4.8589 -10.9818 2.85929 5.64735 -9.00514 -9.63992 -11.3753 -11.9648 TIMING: 4144600 CPU: 13416.3, 0.00313017/step Wall: 13416.3, 0.00313017/step, 0.743762 hours remaining, 236.226562 MB of memory in use. ENERGY: 4144600 4012.9402 20601.0315 14506.1503 240.0940 -203364.8158 2446.5276 0.0000 0.0000 51995.5395 -109562.5327 298.8191 -161558.0722 -109198.4252 298.8773 -132.6493 -110.8587 760203.9696 9.4985 9.6814 PRESSURE: 4144800 -22.3203 9.27413 -3.73338 9.27392 -282.536 211.523 -3.73365 211.522 -29.538 GPRESSURE: 4144800 -10.0951 85.2327 -24.8816 -124.202 -282.233 227.556 -122.345 194.848 17.4319 PRESSAVG: 4144800 80.1886 -80.748 22.2026 -80.748 -21.4559 45.1316 22.2026 45.1316 12.0461 GPRESSAVG: 4144800 83.0037 -81.3706 20.6422 -80.7564 -23.9676 47.5621 21.1083 45.7695 11.6175 TIMING: 4144800 CPU: 13417, 0.00311032/step Wall: 13417, 0.00311032/step, 0.738873 hours remaining, 236.484375 MB of memory in use. ENERGY: 4144800 3973.4518 20486.7609 14436.6671 262.9238 -203180.2812 2483.7089 0.0000 0.0000 51892.1793 -109644.5894 298.2251 -161536.7687 -109285.5714 299.2612 -111.4648 -91.6320 761757.7357 23.5929 23.5512 PRESSURE: 4145000 262.989 -14.9017 -92.1586 -14.9006 158.712 -117.489 -92.1586 -117.489 93.9788 GPRESSURE: 4145000 384.17 10.5897 -154 -121.901 132.63 -147.603 18.1005 -92.8499 72.237 PRESSAVG: 4145000 21.7028 -22.4889 6.75514 -22.489 -30.1752 57.2788 6.75514 57.2788 1.88746 GPRESSAVG: 4145000 19.2316 -22.9211 7.5757 -22.9998 -28.6896 55.8834 10.2761 60.24 2.96878 TIMING: 4145000 CPU: 13417.6, 0.00311834/step Wall: 13417.6, 0.00311834/step, 0.740607 hours remaining, 236.484375 MB of memory in use. ENERGY: 4145000 3957.9625 20428.1597 14451.3646 231.6717 -203508.1155 2649.3867 0.0000 0.0000 52231.6969 -109557.8735 300.1763 -161789.5704 -109201.7155 298.5644 171.8931 196.3458 761465.0321 -2.1950 -2.1631 PRESSURE: 4145200 103.565 -34.6393 -49.1094 -34.6398 -100.383 -181.569 -49.1091 -181.57 -153.826 GPRESSURE: 4145200 143.98 8.0934 -42.3167 -19.9392 -76.6337 -150.674 -181.953 -195.905 -145.364 PRESSAVG: 4145200 40.1535 -30.9534 8.19335 -30.9534 -15.0363 29.7876 8.19325 29.7876 20.3195 GPRESSAVG: 4145200 40.8794 -29.8718 7.78458 -31.0556 -15.808 29.8094 6.04497 27.2153 20.0235 TIMING: 4145200 CPU: 13418.2, 0.00314638/step Wall: 13418.2, 0.00314638/step, 0.74709 hours remaining, 236.683594 MB of memory in use. ENERGY: 4145200 3938.6278 20430.3189 14541.7835 241.8538 -203381.1227 2478.6954 0.0000 0.0000 52122.1644 -109627.6791 299.5468 -161749.8435 -109263.8611 298.7514 -50.2147 -26.0059 761393.9099 15.1456 15.0316 PRESSURE: 4145400 196.454 243.889 -103.102 243.89 -123.54 222.341 -103.101 222.341 201.525 GPRESSURE: 4145400 116.688 187.164 -182.595 246.826 21.0425 206.626 -77.5706 218.334 211.508 PRESSAVG: 4145400 5.36082 3.25338 -30.8994 3.25338 10.4864 16.3737 -30.8994 16.3736 11.6952 GPRESSAVG: 4145400 6.49907 2.47202 -31.0739 3.30403 9.79494 17.6882 -30.5333 18.5652 11.3536 TIMING: 4145400 CPU: 13418.8, 0.00312186/step Wall: 13418.8, 0.00312186/step, 0.741095 hours remaining, 236.683594 MB of memory in use. ENERGY: 4145400 4016.3517 20445.7905 14530.5055 244.4343 -203766.1588 2944.3503 0.0000 0.0000 51850.2374 -109734.4891 297.9840 -161584.7265 -109386.7234 298.8625 91.4796 116.4129 762162.6207 9.1808 9.2159 PRESSURE: 4145600 -59.3237 -42.6887 343.594 -42.6891 -214.031 -166.292 343.594 -166.292 -260.127 GPRESSURE: 4145600 -102.902 120.591 296.601 -152.919 -171.656 -40.2303 174.014 -124.315 -189.865 PRESSAVG: 4145600 0.577207 -53.7844 -4.0613 -53.7844 -10.3623 9.96126 -4.06132 9.96124 -1.59246 GPRESSAVG: 4145600 0.349517 -53.2205 -4.52564 -54.2169 -9.7458 9.45951 -4.04889 9.20923 -1.54691 TIMING: 4145600 CPU: 13419.5, 0.00312411/step Wall: 13419.5, 0.00312411/step, 0.741455 hours remaining, 236.683594 MB of memory in use. ENERGY: 4145600 4039.4606 20531.7874 14511.5282 247.6971 -203456.3950 2429.2406 0.0000 0.0000 52026.0417 -109670.6394 298.9944 -161696.6811 -109307.3254 298.6622 -177.8274 -154.8076 760331.6287 -3.7925 -3.6477 PRESSURE: 4145800 151.208 58.6702 -43.873 58.6704 13.8054 87.5457 -43.8728 87.5455 -23.8267 GPRESSURE: 4145800 147.775 44.947 45.8523 -105.841 99.0585 -3.15189 28.468 68.3047 -9.55114 PRESSAVG: 4145800 55.6397 -16.2237 -11.9711 -16.2237 -41.6269 44.031 -11.9711 44.031 -6.21434 GPRESSAVG: 4145800 55.9251 -16.7324 -11.3628 -14.5679 -41.5876 43.1652 -11.7021 43.7248 -6.821 TIMING: 4145800 CPU: 13420.1, 0.00312006/step Wall: 13420.1, 0.00312006/step, 0.740321 hours remaining, 236.683594 MB of memory in use. ENERGY: 4145800 3983.6570 20404.2989 14485.6797 261.8285 -203555.6679 2538.4855 0.0000 0.0000 52128.4872 -109753.2309 299.5831 -161881.7181 -109381.8379 299.0983 47.0623 79.0940 759957.0223 2.5995 2.5055 PRESSURE: 4146000 -205.761 -54.7588 -198.429 -54.7582 38.9071 25.7765 -198.429 25.776 -272.62 GPRESSURE: 4146000 -153.381 -33.4185 -200.135 -49.9935 32.6483 58.3487 -133.039 14.0609 -224.55 PRESSAVG: 4146000 -47.6351 18.1705 -28.4837 18.1705 19.8573 -11.1419 -28.4837 -11.1419 -27.2216 GPRESSAVG: 4146000 -48.2836 18.4886 -27.7391 16.511 19.8892 -10.5775 -29.5978 -12.9236 -26.4911 TIMING: 4146000 CPU: 13420.7, 0.00313638/step Wall: 13420.7, 0.00313638/step, 0.744019 hours remaining, 236.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4146000 4092.2469 20385.0992 14425.0596 243.1197 -203554.5999 2505.9073 0.0000 0.0000 51992.8346 -109910.3326 298.8035 -161903.1672 -109539.5109 298.4851 -146.4915 -115.0944 760094.2531 -18.3331 -18.2952 PRESSURE: 4146200 -93.5929 -255.494 -288.454 -255.494 153.169 -241.891 -288.454 -241.891 -314.435 GPRESSURE: 4146200 -137.777 -66.1909 -270.763 -184.934 208.213 -267.975 -251.251 -229.617 -232.732 PRESSAVG: 4146200 -84.3012 -30.2088 -16.3018 -30.2087 84.0461 -3.83423 -16.3018 -3.83423 -4.69357 GPRESSAVG: 4146200 -83.2424 -29.2149 -15.0699 -29.5158 83.8262 -4.06857 -16.1492 -2.91977 -5.24011 TIMING: 4146200 CPU: 13421.3, 0.00311556/step Wall: 13421.3, 0.00311556/step, 0.738907 hours remaining, 236.683594 MB of memory in use. ENERGY: 4146200 4008.4487 20561.5042 14386.7323 263.8698 -203503.9554 2636.6343 0.0000 0.0000 51991.8391 -109654.9270 298.7978 -161646.7661 -109292.6023 298.4010 -84.9529 -54.0987 760281.5773 -1.6495 -1.5521 PRESSURE: 4146400 87.9157 141.849 -37.1458 141.849 125.216 -152.517 -37.1457 -152.518 216.78 GPRESSURE: 4146400 99.5259 194.105 -192.121 285.536 123.655 -176.365 -37.9289 28.889 301.606 PRESSAVG: 4146400 -91.5996 21.3613 26.5256 21.3613 82.3934 -40.9661 26.5256 -40.966 10.5756 GPRESSAVG: 4146400 -92.1812 18.7291 22.236 21.6925 82.0061 -42.4677 26.8615 -39.5865 11.6988 TIMING: 4146400 CPU: 13422, 0.00310824/step Wall: 13422, 0.00310824/step, 0.736998 hours remaining, 236.683594 MB of memory in use. ENERGY: 4146400 4002.6392 20739.2784 14434.6827 244.3779 -203991.7574 2989.9948 0.0000 0.0000 52044.4342 -109536.3502 299.1001 -161580.7844 -109183.5160 299.5304 143.3039 174.9290 759830.2249 0.4565 0.5079 PRESSURE: 4146600 -297.59 48.0351 247.285 48.0354 120.801 164.584 247.284 164.584 -34.3084 GPRESSURE: 4146600 -268.273 98.8984 194.954 -20.4722 174.233 213.608 213.65 298.402 -34.6644 PRESSAVG: 4146600 -23.8881 -5.01938 33.0753 -5.0194 51.6169 -21.1313 33.0753 -21.1313 7.40693 GPRESSAVG: 4146600 -25.7165 -5.33773 34.9389 -4.65656 53.2836 -18.7989 35.0745 -21.3958 7.25885 TIMING: 4146600 CPU: 13422.6, 0.00311377/step Wall: 13422.6, 0.00311376/step, 0.738135 hours remaining, 236.683594 MB of memory in use. ENERGY: 4146600 4031.2584 20545.1171 14429.4200 245.9993 -203212.7440 2430.4953 0.0000 0.0000 52157.7298 -109372.7242 299.7512 -161530.4540 -109012.6451 299.2152 -70.3658 -42.9015 760540.7840 11.7119 11.6087 PRESSURE: 4146800 -69.8103 30.6469 -34.3309 30.6469 -42.4895 89.2062 -34.3301 89.2065 -184.177 GPRESSURE: 4146800 -50.9269 42.8088 -55.5243 -25.3232 20.6726 58.1152 -61.4132 46.7576 -174.178 PRESSAVG: 4146800 20.7266 -38.9467 -0.981018 -38.9467 -7.21636 20.7494 -0.980968 20.7494 -1.18425 GPRESSAVG: 4146800 21.3406 -37.4392 0.548011 -38.6277 -7.43926 19.121 -3.0694 24.7402 -1.875 TIMING: 4146800 CPU: 13423.2, 0.00311295/step Wall: 13423.2, 0.00311295/step, 0.737769 hours remaining, 236.683594 MB of memory in use. ENERGY: 4146800 4122.3186 20565.3587 14418.5636 269.4731 -203637.1289 2592.9015 0.0000 0.0000 52220.0769 -109448.4366 300.1095 -161668.5135 -109088.2265 299.9446 -98.8256 -68.1441 758479.4639 4.1087 4.0088 PRESSURE: 4147000 -234.692 -83.8009 -257.553 -83.8012 -102.634 160.479 -257.553 160.479 -63.2593 GPRESSURE: 4147000 -132.717 -92.8747 -322.88 -2.15539 -25.2802 72.6563 -226.941 152.693 -170.605 PRESSAVG: 4147000 -29.3324 14.3668 28.2228 14.3668 19.5341 21.4496 28.2229 21.4496 18.7146 GPRESSAVG: 4147000 -28.7861 14.5147 28.7704 15.0911 19.6349 22.4181 28.838 17.0345 17.9743 TIMING: 4147000 CPU: 13423.8, 0.00313397/step Wall: 13423.8, 0.00313397/step, 0.742576 hours remaining, 236.683594 MB of memory in use. ENERGY: 4147000 4127.6189 20479.6068 14463.6211 252.5812 -203993.9493 2808.7632 0.0000 0.0000 52129.4144 -109732.3437 299.5885 -161861.7581 -109365.9867 299.0268 -133.5284 -109.5341 759787.9473 2.9721 2.9410 PRESSURE: 4147200 -430.35 -62.9167 -24.8529 -62.9175 -455.211 -38.9486 -24.8531 -38.9481 -115.25 GPRESSURE: 4147200 -327.394 -46.5967 12.7305 -137.603 -432.46 -48.29 33.6216 -109.141 -150.253 PRESSAVG: 4147200 -25.4985 -25.0901 24.7859 -25.09 51.7987 24.3512 24.7859 24.3513 0.613241 GPRESSAVG: 4147200 -25.169 -27.165 22.2979 -26.4245 50.7436 22.971 25.1484 25.5098 0.588239 TIMING: 4147200 CPU: 13424.5, 0.00312425/step Wall: 13424.5, 0.00312425/step, 0.740099 hours remaining, 236.683594 MB of memory in use. ENERGY: 4147200 3939.2827 20477.6343 14463.9244 237.2753 -203381.4309 2371.3810 0.0000 0.0000 52231.1319 -109660.8014 300.1730 -161891.9332 -109290.0202 298.7566 -333.6036 -303.3690 761249.1607 8.9711 8.7209 PRESSURE: 4147400 -30.4551 -14.8795 179.48 -14.8793 -81.5972 -267.129 179.479 -267.13 -274.924 GPRESSURE: 4147400 -1.95105 -5.99857 163.752 -89.9861 -97.968 -210.221 218.769 -130.042 -186.703 PRESSAVG: 4147400 18.4041 -18.2385 -47.5984 -18.2385 35.5711 -1.77526 -47.5984 -1.7752 21.0236 GPRESSAVG: 4147400 16.63 -16.4268 -46.5564 -17.9279 37.0203 -0.924299 -46.5349 -1.40669 22.0499 TIMING: 4147400 CPU: 13425.1, 0.00312231/step Wall: 13425.1, 0.00312231/step, 0.739468 hours remaining, 236.683594 MB of memory in use. ENERGY: 4147400 4025.3037 20570.9705 14513.9285 229.7854 -203452.3548 2696.7418 0.0000 0.0000 51878.0276 -109537.5972 298.1437 -161415.6249 -109177.9463 299.3148 -128.9922 -95.5408 760333.4549 24.9996 25.2334 PRESSURE: 4147600 -121.649 -89.9755 -44.2024 -89.9749 -167.052 -96.4728 -44.2027 -96.4724 260.689 GPRESSURE: 4147600 -53.4956 -103.408 -106.521 -21.1486 -144.546 -131.454 -43.5095 -4.00167 230.36 PRESSAVG: 4147600 -44.0006 -1.82265 -7.4905 -1.82267 54.7169 8.62649 -7.49051 8.62644 -7.81869 GPRESSAVG: 4147600 -42.3552 -1.49588 -8.05341 -1.2893 53.4309 10.6002 -7.9073 7.39165 -8.12804 TIMING: 4147600 CPU: 13425.7, 0.00313427/step Wall: 13425.7, 0.00313427/step, 0.742124 hours remaining, 236.683594 MB of memory in use. ENERGY: 4147600 4011.7142 20409.5991 14483.4738 252.7052 -203186.8061 2563.8006 0.0000 0.0000 52057.7044 -109407.8088 299.1763 -161465.5132 -109043.2145 299.5549 -9.3374 10.7727 760986.4559 0.9658 0.9826 PRESSURE: 4147800 -199.591 -104.505 200.43 -104.504 -76.4546 161.438 200.43 161.438 -99.0619 GPRESSURE: 4147800 -186.183 -38.1223 229.84 11.8232 -81.8201 244.274 160.647 61.7267 -27.5845 PRESSAVG: 4147800 7.82094 19.6957 -5.80962 19.6958 -17.9425 26.8385 -5.80965 26.8385 7.83652 GPRESSAVG: 4147800 6.83776 18.6739 -4.95356 19.2677 -17.2532 26.8879 -5.74567 27.2566 8.12533 TIMING: 4147800 CPU: 13426.3, 0.00310274/step Wall: 13426.3, 0.00310274/step, 0.734488 hours remaining, 236.835938 MB of memory in use. ENERGY: 4147800 4040.2746 20621.0271 14462.7800 250.0057 -203367.5640 2681.0012 0.0000 0.0000 51979.6055 -109332.8698 298.7275 -161312.4753 -108980.8857 299.7520 -125.0357 -98.5291 760798.8697 -0.7617 -0.7634 PRESSURE: 4148000 71.4348 35.4924 -139.189 35.4919 47.061 82.1468 -139.188 82.1473 -316.752 GPRESSURE: 4148000 158.731 -28.0927 -128.507 8.73528 7.93864 59.8931 -79.3798 29.9218 -262.439 PRESSAVG: 4148000 32.9582 -51.0607 -5.5889 -51.0607 -37.5409 29.5454 -5.58889 29.5454 13.4768 GPRESSAVG: 4148000 34.5497 -52.5705 -6.49218 -49.1573 -38.4642 27.0946 -4.73756 27.1589 13.1509 TIMING: 4148000 CPU: 13426.9, 0.00311367/step Wall: 13426.9, 0.00311367/step, 0.736902 hours remaining, 236.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4148000 4019.1635 20515.0781 14477.0289 252.2857 -203115.7289 2318.7944 0.0000 0.0000 52121.3789 -109411.9994 299.5423 -161533.3783 -109057.9808 299.5762 -66.0853 -31.9233 760532.3675 2.9647 3.0788 PRESSURE: 4148200 -43.3339 -157.302 102.793 -157.302 -86.1492 153.794 102.794 153.796 -81.1698 GPRESSURE: 4148200 -79.2961 -75.1474 47.361 -104.809 -6.92356 134.884 129.535 147.242 -30.0333 PRESSAVG: 4148200 44.835 -67.3106 38.2596 -67.3106 -16.5384 8.25535 38.2596 8.25538 -10.398 GPRESSAVG: 4148200 43.0364 -66.0096 39.9778 -69.4863 -14.6865 9.08472 36.9923 11.9566 -10.5916 TIMING: 4148200 CPU: 13427.6, 0.00313221/step Wall: 13427.6, 0.00313221/step, 0.741116 hours remaining, 236.835938 MB of memory in use. ENERGY: 4148200 3942.3136 20387.3507 14422.8128 242.1110 -203321.8723 2409.7987 0.0000 0.0000 52332.2555 -109585.2299 300.7542 -161917.4854 -109211.6831 299.3923 -70.2176 -38.7510 759375.5901 5.9662 5.9194 LDB: ============= START OF LOAD BALANCING ============== 13440 LDB: ============== END OF LOAD BALANCING =============== 13440 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13440 LDB: ============= START OF LOAD BALANCING ============== 13440.3 LDB: Largest compute 7058 load 0.034370 is 17.6% of average load 0.195559 LDB: Average compute 0.004385 is 2.2% of average load 0.195559 LDB: TIME 13440.3 LOAD: AVG 0.195559 MAX 0.217687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.91 MB LDB: TIME 13440.3 LOAD: AVG 0.195559 MAX 0.217687 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 13440.3 LOAD: AVG 0.195559 MAX 0.217687 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 13440.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13440.3 PRESSURE: 4148400 84.4062 12.8621 175.609 12.8626 341.437 7.01788 175.61 7.01675 525.343 GPRESSURE: 4148400 97.7731 73.3508 211.635 -136.991 374.656 0.912725 171.067 -27.8912 554.52 PRESSAVG: 4148400 17.4846 -33.5017 -10.0397 -33.5017 -6.79183 5.48995 -10.0397 5.48998 -26.5751 GPRESSAVG: 4148400 18.9325 -31.2957 -10.5389 -34.7703 -6.21015 6.16972 -8.46019 3.85723 -28.398 TIMING: 4148400 CPU: 13428.2, 0.00319841/step Wall: 13428.2, 0.00319841/step, 0.756601 hours remaining, 234.867188 MB of memory in use. ENERGY: 4148400 3934.7882 20454.4288 14430.2586 230.4263 -204288.7586 2942.3552 0.0000 0.0000 52461.0374 -109835.4642 301.4943 -162296.5016 -109461.0351 299.3264 317.0622 342.3163 757684.9718 -5.2941 -5.2252 PRESSURE: 4148600 -267.571 -79.6403 -51.5093 -79.6407 50.4526 -220.449 -51.5087 -220.449 -182.935 GPRESSURE: 4148600 -199.681 -88.5829 -46.0882 -71.2723 7.1798 -158.217 -112.459 -386.565 -127.651 PRESSAVG: 4148600 9.54621 -16.1942 48.309 -16.1942 10.6151 5.08971 48.309 5.08973 9.04987 GPRESSAVG: 4148600 7.96686 -19.3749 47.9979 -14.8715 10.2015 4.32622 46.8909 5.30136 10.9816 TIMING: 4148600 CPU: 13428.8, 0.00310821/step Wall: 13428.8, 0.00310821/step, 0.735092 hours remaining, 234.949219 MB of memory in use. ENERGY: 4148600 4001.8059 20517.7059 14454.5058 261.0778 -203421.5648 2444.4989 0.0000 0.0000 51734.0618 -110007.9086 297.3164 -161741.9705 -109646.7920 298.0901 -133.3512 -106.7177 759529.9679 9.7371 9.7167 PRESSURE: 4148800 -162.231 -128.559 -18.3821 -128.56 -286.016 -47.3274 -18.3816 -47.3274 -126.894 GPRESSURE: 4148800 -146.102 -79.1003 31.7401 -134.641 -204.363 -22.1616 -42.8086 -85.8391 -145.838 PRESSAVG: 4148800 -25.1655 14.4502 16.3836 14.4502 55.5162 13.7376 16.3837 13.7377 10.4273 GPRESSAVG: 4148800 -24.5555 14.6293 15.4672 14.7887 55.2983 15.027 16.5914 14.0954 9.70911 TIMING: 4148800 CPU: 13429.5, 0.00312341/step Wall: 13429.5, 0.00312341/step, 0.738513 hours remaining, 235.019531 MB of memory in use. ENERGY: 4148800 3896.4213 20483.4475 14498.3250 242.1224 -203787.8746 2470.7094 0.0000 0.0000 52088.2637 -110108.5854 299.3520 -162196.8491 -109746.4059 298.3790 -191.7138 -165.4347 760505.6779 13.5927 13.4840 PRESSURE: 4149000 35.663 -258.217 -223.257 -258.216 19.8381 53.9589 -223.256 53.9593 -2.13472 GPRESSURE: 4149000 42.2551 -241.641 -212.548 -246.682 93.5055 -23.3508 -233.143 -46.9478 -27.1022 PRESSAVG: 4149000 15.0596 -22.5828 -34.6506 -22.5828 4.19132 -13.5504 -34.6506 -13.5504 -5.55528 GPRESSAVG: 4149000 16.0008 -21.5014 -33.4997 -22.637 3.57218 -15.0024 -36.3423 -13.3373 -6.1443 TIMING: 4149000 CPU: 13430.1, 0.00311509/step Wall: 13430.1, 0.00311509/step, 0.736373 hours remaining, 235.019531 MB of memory in use. ENERGY: 4149000 4030.3445 20472.8498 14479.0283 252.5894 -203244.8433 2400.4148 0.0000 0.0000 51681.0103 -109928.6062 297.0115 -161609.6165 -109580.4570 298.4766 17.7888 36.2194 761829.4190 4.5652 4.4762 PRESSURE: 4149200 -318.978 21.3951 14.9752 21.3956 -205.074 -3.0668 14.9749 -3.0672 -131.079 GPRESSURE: 4149200 -191.176 -68.2068 -18.591 -63.8764 -117.105 73.2517 74.9077 46.4196 -259.337 PRESSAVG: 4149200 31.7383 20.4121 26.6139 20.4121 0.247805 -0.581186 26.6139 -0.58127 1.56441 GPRESSAVG: 4149200 30.2604 20.3896 27.36 18.2104 0.955388 0.553102 26.6337 1.23445 2.53325 TIMING: 4149200 CPU: 13430.7, 0.00313218/step Wall: 13430.7, 0.00313218/step, 0.740239 hours remaining, 235.019531 MB of memory in use. ENERGY: 4149200 3970.7621 20356.7072 14480.2193 231.0534 -203694.8339 2619.9229 0.0000 0.0000 52148.8056 -109887.3633 299.6999 -162036.1689 -109519.5950 298.3658 -218.3769 -189.2057 760511.5207 11.1835 11.2497 PRESSURE: 4149400 124.944 -237.468 47.2978 -237.468 161.019 -110.083 47.2978 -110.082 330.536 GPRESSURE: 4149400 82.9168 -178.627 -14.9427 -53.5497 288.458 -123.51 45.8768 -107.283 320.596 PRESSAVG: 4149400 -14.1423 -112.665 16.2009 -112.665 -24.275 4.5285 16.2009 4.52853 2.19681 GPRESSAVG: 4149400 -14.3509 -115.615 16.0457 -110.128 -24.1498 3.20674 17.0474 4.20816 2.26976 TIMING: 4149400 CPU: 13431.3, 0.00312028/step Wall: 13431.3, 0.00312028/step, 0.737253 hours remaining, 235.019531 MB of memory in use. ENERGY: 4149400 4016.6968 20438.0643 14511.1263 235.3059 -203663.4013 2907.9941 0.0000 0.0000 52013.6149 -109540.5991 298.9230 -161554.2141 -109179.9255 299.1764 205.4997 230.6568 759117.0674 -12.0735 -12.0770 PRESSURE: 4149600 -53.2672 -267.88 -230.338 -267.879 541.187 32.8344 -230.337 32.8354 612.471 GPRESSURE: 4149600 28.7037 -203.972 -191.563 -216.91 568.933 -41.1924 -93.8066 26.2026 575.037 PRESSAVG: 4149600 14.6567 -70.1277 52.6085 -70.1278 35.3548 31.4712 52.6086 31.4712 2.83622 GPRESSAVG: 4149600 15.2107 -66.2246 51.9765 -71.0388 34.9889 34.0112 52.8786 28.5375 3.13947 TIMING: 4149600 CPU: 13432, 0.00313725/step Wall: 13432, 0.00313726/step, 0.741089 hours remaining, 235.019531 MB of memory in use. ENERGY: 4149600 4022.0925 20570.5664 14508.3239 237.8220 -203497.3831 2722.1608 0.0000 0.0000 51986.6775 -109449.7398 298.7682 -161436.4173 -109077.5176 299.2491 366.7971 390.8915 759577.4697 17.6159 17.7797 PRESSURE: 4149800 -196.827 48.0164 329.668 48.0156 268.946 186.25 329.667 186.25 -230.343 GPRESSURE: 4149800 -124.647 113.611 313.257 -55.3453 283.046 280.601 176.371 180.768 -252.562 PRESSAVG: 4149800 -46.5724 -47.5001 -3.74203 -47.5001 42.5833 14.9372 -3.74203 14.9371 -7.18976 GPRESSAVG: 4149800 -46.7641 -49.8056 -3.70977 -44.9365 41.9348 14.0602 -1.97234 16.3392 -6.39147 TIMING: 4149800 CPU: 13432.6, 0.00313411/step Wall: 13432.6, 0.00313411/step, 0.740171 hours remaining, 235.019531 MB of memory in use. ENERGY: 4149800 3978.6512 20586.7433 14511.3321 254.4110 -203485.2033 2675.1397 0.0000 0.0000 52068.2929 -109410.6332 299.2372 -161478.9260 -109043.7284 299.8779 -52.7412 -31.3880 762692.0741 -3.7263 -3.7402 PRESSURE: 4150000 229.828 33.4923 51.6299 33.4912 250.524 75.9731 51.6294 75.9741 163.706 GPRESSURE: 4150000 266.822 59.6489 -5.90609 45.2341 304.617 44.0993 -3.07684 139.028 150.443 PRESSAVG: 4150000 -36.3874 -35.2585 -4.39978 -35.2585 11.2981 35.6401 -4.39983 35.6401 -21.0577 GPRESSAVG: 4150000 -35.6505 -36.8879 -4.884 -37.1045 12.5116 34.5451 -7.04322 37.4514 -22.6931 TIMING: 4150000 CPU: 13433.2, 0.00315066/step Wall: 13433.2, 0.00315066/step, 0.743907 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4150000 3974.5536 20570.7670 14402.9796 251.8816 -203781.0449 2838.5003 0.0000 0.0000 52068.4013 -109673.9614 299.2378 -161742.3628 -109308.2581 299.2552 214.6859 240.6272 760705.4450 -15.3824 -15.2773 PRESSURE: 4150200 0.0826543 -1.8085 56.3495 -1.80924 77.4104 -28.4898 56.35 -28.4908 112 GPRESSURE: 4150200 -27.4911 -36.2901 -48.6516 106.278 197.632 -34.7799 0.614914 19.9707 97.6272 PRESSAVG: 4150200 34.4652 -9.75075 14.9945 -9.7508 18.9689 -4.47072 14.9944 -4.47075 25.945 GPRESSAVG: 4150200 34.8388 -8.72226 14.4388 -10.4002 19.4484 -3.38757 15.7498 -6.54671 25.742 TIMING: 4150200 CPU: 13433.8, 0.0031305/step Wall: 13433.8, 0.0031305/step, 0.738973 hours remaining, 235.019531 MB of memory in use. ENERGY: 4150200 4025.4891 20509.9728 14505.6598 227.3191 -203829.7329 2645.4144 0.0000 0.0000 52110.2734 -109805.6043 299.4785 -161915.8776 -109436.3548 299.1770 63.1644 89.2561 760749.0314 26.4597 26.6764 PRESSURE: 4150400 40.7455 27.2851 93.6905 27.2858 -90.805 232.946 93.691 232.947 86.8884 GPRESSURE: 4150400 72.4847 148.796 122.404 -13.5244 -61.0158 237.161 56.2332 372.432 111.655 PRESSAVG: 4150400 -35.5078 -22.7835 13.7447 -22.7835 43.6772 -12.114 13.7447 -12.114 15.4873 GPRESSAVG: 4150400 -36.2077 -20.7678 13.9515 -22.1337 42.5111 -12.5757 14.173 -11.528 16.9983 TIMING: 4150400 CPU: 13434.5, 0.00312753/step Wall: 13434.5, 0.00312753/step, 0.738097 hours remaining, 235.019531 MB of memory in use. ENERGY: 4150400 4022.7515 20503.0509 14473.7549 245.5045 -203652.0472 2787.6325 0.0000 0.0000 51754.7589 -109864.5941 297.4353 -161619.3529 -109502.7268 298.3763 12.2763 41.0415 762062.8913 7.8856 7.7672 PRESSURE: 4150600 -100.059 -260.554 125.363 -260.553 -62.3576 84.8075 125.362 84.8075 49.466 GPRESSURE: 4150600 -107.21 -274.227 64.7797 -341.317 -38.4337 83.863 150.04 113.696 117.555 PRESSAVG: 4150600 -14.3981 -10.7251 31.5878 -10.7251 53.9636 15.7076 31.5878 15.7076 24.9253 GPRESSAVG: 4150600 -13.9587 -12.0772 30.8404 -11.0152 54.9916 15.7398 31.0698 13.7376 23.5787 TIMING: 4150600 CPU: 13435.1, 0.00311956/step Wall: 13435.1, 0.00311956/step, 0.736043 hours remaining, 235.019531 MB of memory in use. ENERGY: 4150600 4039.1418 20601.4170 14388.2763 260.4699 -203641.2129 2669.7193 0.0000 0.0000 51858.2906 -109823.8980 298.0303 -161682.1886 -109466.5866 298.7681 -37.6501 -9.3630 760647.4263 21.4970 21.5372 PRESSURE: 4150800 -118.859 348.315 -61.5504 348.315 63.7644 49.7104 -61.5505 49.7113 -363.19 GPRESSURE: 4150800 -141.255 216.736 -120.314 361.074 61.4002 -14.1676 146.574 9.35937 -270.391 PRESSAVG: 4150800 4.75401 41.654 28.3641 41.654 17.5272 53.9836 28.3641 53.9835 -17.8336 GPRESSAVG: 4150800 3.69735 42.4941 30.047 41.8667 17.3888 53.1941 27.5225 55.7827 -16.8835 TIMING: 4150800 CPU: 13435.7, 0.00315125/step Wall: 13435.7, 0.00315125/step, 0.743346 hours remaining, 235.019531 MB of memory in use. ENERGY: 4150800 3961.5087 20472.3717 14510.7418 238.5031 -203421.0713 2625.1941 0.0000 0.0000 51801.2340 -109811.5179 297.7024 -161612.7519 -109444.2048 298.2771 -139.4283 -116.7485 762028.1090 1.4825 1.4009 PRESSURE: 4151000 -46.9145 -171.743 -23.7075 -171.743 -134.317 123.106 -23.7077 123.106 321.115 GPRESSURE: 4151000 60.1417 -47.1367 -99.3962 -73.1728 -97.9862 120.346 -55.5404 155.591 259.626 PRESSAVG: 4151000 1.30697 9.91502 9.4648 9.91499 -13.2663 52.0225 9.46485 52.0224 14.1441 GPRESSAVG: 4151000 2.26773 11.0152 8.508 9.35757 -12.4098 52.4197 10.2043 50.8272 12.4705 TIMING: 4151000 CPU: 13436.4, 0.00314873/step Wall: 13436.4, 0.00314873/step, 0.742576 hours remaining, 235.019531 MB of memory in use. ENERGY: 4151000 3937.9893 20456.8275 14397.8790 252.3976 -203343.7400 2361.9770 0.0000 0.0000 51981.1333 -109955.5363 298.7363 -161936.6695 -109589.9433 298.6787 46.6278 73.9271 760498.2566 0.7283 0.7762 PRESSURE: 4151200 56.4415 -4.81144 -150.168 -4.81129 -52.7317 279.915 -150.168 279.914 363.932 GPRESSURE: 4151200 150.202 130.269 -213.506 -7.54384 10.9161 326.661 -254.204 176.488 305.37 PRESSAVG: 4151200 -53.4012 0.40138 17.5567 0.401372 19.2083 33.2084 17.5567 33.2083 -1.48967 GPRESSAVG: 4151200 -53.3719 -0.700498 20.5045 3.07753 18.5823 33.6583 13.3411 34.578 -0.677156 TIMING: 4151200 CPU: 13437, 0.00312486/step Wall: 13437, 0.00312486/step, 0.736773 hours remaining, 235.019531 MB of memory in use. ENERGY: 4151200 3932.2951 20364.3376 14376.2187 245.8350 -203418.9297 2825.3176 0.0000 0.0000 51760.1275 -109914.7981 297.4662 -161674.9257 -109563.1985 297.8865 122.5474 155.4961 761275.5636 -11.8942 -11.8222 PRESSURE: 4151400 -368.247 -108.534 -156.873 -108.534 -50.6745 279.682 -156.873 279.682 -54.7453 GPRESSURE: 4151400 -282.639 -85.737 -79.3382 -10.5603 -4.51404 283.081 -62.5471 163.587 -82.3195 PRESSAVG: 4151400 18.9099 -27.6186 0.960221 -27.6187 10.4842 39.0317 0.960221 39.0317 16.7567 GPRESSAVG: 4151400 19.3465 -27.1157 -0.732222 -28.6981 10.0916 40.2802 4.62698 38.4594 17.2474 TIMING: 4151400 CPU: 13437.6, 0.00311644/step Wall: 13437.6, 0.00311644/step, 0.734615 hours remaining, 235.218750 MB of memory in use. ENERGY: 4151400 4036.3098 20508.2421 14430.2194 252.9891 -203204.2392 2375.2684 0.0000 0.0000 51784.3185 -109816.8919 297.6052 -161601.2104 -109463.2094 298.1996 -157.8891 -123.1576 760767.4273 15.3836 15.5618 PRESSURE: 4151600 -66.556 67.3075 -121.065 67.3085 -270.75 -78.9363 -121.065 -78.9373 -323.863 GPRESSURE: 4151600 -60.375 58.0669 -86.2647 67.7878 -163.608 -144.926 -82.3049 -61.0872 -345.183 PRESSAVG: 4151600 -46.0778 -3.02128 38.8742 -3.02136 88.5316 58.1358 38.8743 58.1358 12.2783 GPRESSAVG: 4151600 -47.4071 -3.32657 38.3022 -3.8895 89.1605 57.5267 39.0405 57.3169 12.4721 TIMING: 4151600 CPU: 13438.2, 0.00312167/step Wall: 13438.2, 0.00312167/step, 0.735673 hours remaining, 235.218750 MB of memory in use. ENERGY: 4151600 4046.8284 20480.9341 14501.8826 241.5911 -203129.5117 2202.7791 0.0000 0.0000 51981.0439 -109674.4525 298.7358 -161655.4964 -109305.2412 298.7079 -220.3896 -189.7220 760669.6973 18.2440 18.0752 PRESSURE: 4151800 164.507 170.453 -117.244 170.453 -328.118 21.0359 -117.245 21.0351 -140.745 GPRESSURE: 4151800 236.993 109.117 -107.924 186.556 -334.341 65.0545 -226.09 -1.32308 -118.474 PRESSAVG: 4151800 -41.0398 -50.8111 -11.6633 -50.8111 16.8954 53.2095 -11.6633 53.2096 -9.53024 GPRESSAVG: 4151800 -40.7908 -51.4434 -11.6783 -48.284 16.27 51.8253 -11.7728 55.0142 -9.32599 TIMING: 4151800 CPU: 13438.9, 0.00313129/step Wall: 13438.9, 0.00313129/step, 0.737768 hours remaining, 235.218750 MB of memory in use. ENERGY: 4151800 3946.2746 20436.8988 14457.3671 234.6645 -203539.7176 2535.7332 0.0000 0.0000 52121.7597 -109807.0196 299.5445 -161928.7794 -109445.6312 298.3929 -101.4522 -71.9407 762569.2983 -11.2249 -11.2823 PRESSURE: 4152000 -133.559 21.4729 81.0403 21.473 34.1403 -52.32 81.0408 -52.3199 -50.951 GPRESSURE: 4152000 -161.533 22.3754 66.4849 34.0391 143.35 -56.3692 105.833 33.8907 -47.0427 PRESSAVG: 4152000 -5.14311 11.1091 18.465 11.1091 -10.2055 40.7636 18.465 40.7635 -9.73842 GPRESSAVG: 4152000 -5.41784 11.0244 17.7673 9.37203 -10.5189 42.5441 19.9202 40.7559 -9.38253 TIMING: 4152000 CPU: 13439.5, 0.00312803/step Wall: 13439.5, 0.00312803/step, 0.736825 hours remaining, 235.218750 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: 4152000 3973.2112 20395.6927 14403.9539 247.9125 -203114.4813 2454.2288 0.0000 0.0000 51941.1507 -109698.3315 298.5065 -161639.4822 -109322.6475 298.2786 -50.1232 -21.7417 762747.9869 -8.3623 -8.4398 PRESSURE: 4152200 -36.169 -70.1715 95.6973 -70.1707 207.787 -18.7047 95.6976 -18.705 66.4844 GPRESSURE: 4152200 -10.1002 -74.0887 102.307 -77.6357 244.741 10.025 36.177 -179.108 88.9525 PRESSAVG: 4152200 -16.0152 -34.2527 13.2789 -34.2527 -29.5569 1.63851 13.2789 1.63856 0.316223 GPRESSAVG: 4152200 -15.4745 -33.8936 15.0051 -34.6615 -29.46 1.71307 11.9556 0.305717 0.269894 TIMING: 4152200 CPU: 13440.1, 0.00313102/step Wall: 13440.1, 0.00313102/step, 0.737356 hours remaining, 235.218750 MB of memory in use. ENERGY: 4152200 4019.9554 20382.3182 14428.0302 261.9976 -203450.0856 2794.2169 0.0000 0.0000 51551.5182 -110012.0491 296.2673 -161563.5673 -109660.4841 297.9490 79.3674 107.8645 763131.9779 -15.0853 -14.8882 LDB: ============= START OF LOAD BALANCING ============== 13452.5 LDB: ============== END OF LOAD BALANCING =============== 13452.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13452.5 LDB: ============= START OF LOAD BALANCING ============== 13452.8 LDB: Largest compute 7058 load 0.036373 is 18.6% of average load 0.195639 LDB: Average compute 0.004396 is 2.2% of average load 0.195639 LDB: TIME 13452.8 LOAD: AVG 0.195639 MAX 0.221212 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.488 MB LDB: TIME 13452.8 LOAD: AVG 0.195639 MAX 0.221212 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.691 MB LDB: TIME 13452.8 LOAD: AVG 0.195639 MAX 0.217772 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.691 MB LDB: ============== END OF LOAD BALANCING =============== 13452.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13452.9 PRESSURE: 4152400 -138.228 -11.1138 83.0516 -11.1138 -117.583 -83.513 83.051 -83.5128 -415.536 GPRESSURE: 4152400 -63.9242 55.8196 7.12456 30.3954 -137.558 -91.2495 148.599 -51.2267 -397.902 PRESSAVG: 4152400 -5.33768 -75.4006 12.5428 -75.4006 81.5161 27.0699 12.5429 27.0699 3.95593 GPRESSAVG: 4152400 -4.4815 -74.5473 11.8786 -74.5407 81.9066 26.4084 14.8026 29.6648 2.71576 TIMING: 4152400 CPU: 13440.7, 0.00322118/step Wall: 13440.7, 0.00322118/step, 0.75841 hours remaining, 234.042969 MB of memory in use. ENERGY: 4152400 4084.9543 20418.8095 14478.2142 247.3461 -203257.5997 2512.8231 0.0000 0.0000 51833.2742 -109682.1784 297.8865 -161515.4526 -109324.4034 298.1597 -223.7825 -199.7947 763444.2356 26.7114 26.7136 PRESSURE: 4152600 297.401 -130.305 61.0122 -130.306 408.944 52.7157 61.0121 52.7159 -420.552 GPRESSURE: 4152600 260.529 -39.7191 123.319 -211.288 462.622 53.7205 -71.9328 163.26 -363.986 PRESSAVG: 4152600 -3.56068 -44.0255 29.6018 -44.0255 10.427 32.1256 29.6018 32.1256 7.375 GPRESSAVG: 4152600 -4.56307 -45.0877 30.105 -42.8244 10.2465 32.0139 28.8167 31.6107 7.69725 TIMING: 4152600 CPU: 13441.4, 0.00313878/step Wall: 13441.4, 0.00313878/step, 0.738834 hours remaining, 234.625000 MB of memory in use. ENERGY: 4152600 3923.6538 20374.9726 14514.4611 246.0784 -203527.1078 2779.2154 0.0000 0.0000 52046.5011 -109642.2252 299.1120 -161688.7264 -109274.5374 298.6123 95.2644 119.7217 762791.5651 4.7471 4.4602 PRESSURE: 4152800 -142.528 -219.025 -354.652 -219.024 156.843 90.0042 -354.651 90.0043 -15.3036 GPRESSURE: 4152800 -71.3157 -283.656 -304.965 -139.59 112.993 138.357 -383.528 163.756 53.1359 PRESSAVG: 4152800 26.4867 -52.4088 41.5739 -52.4087 1.29103 29.9192 41.574 29.9192 15.0484 GPRESSAVG: 4152800 26.354 -52.6067 41.8565 -54.0979 0.767686 28.614 39.4472 33.019 15.7737 TIMING: 4152800 CPU: 13442, 0.00312389/step Wall: 13442, 0.00312389/step, 0.735155 hours remaining, 234.625000 MB of memory in use. ENERGY: 4152800 4017.1673 20351.7258 14402.4216 261.2339 -203236.0763 2652.9384 0.0000 0.0000 51896.7247 -109653.8645 298.2512 -161550.5892 -109297.9237 298.6687 -0.3294 31.6045 764373.1803 14.2754 14.2985 PRESSURE: 4153000 -347.061 -195.848 546.365 -195.847 -6.97429 228.575 546.365 228.575 -207.673 GPRESSURE: 4153000 -255.654 -39.9081 583.709 -126.571 -43.4532 191.471 433.812 188.815 -175.496 PRESSAVG: 4153000 20.4845 -30.7216 -40.3156 -30.7216 -33.5285 3.22526 -40.3156 3.2252 -17.1025 GPRESSAVG: 4153000 21.5877 -30.7112 -40.6712 -30.5906 -33.442 5.54333 -38.538 -0.67425 -18.532 TIMING: 4153000 CPU: 13442.6, 0.00311862/step Wall: 13442.6, 0.00311862/step, 0.733742 hours remaining, 234.625000 MB of memory in use. ENERGY: 4153000 4044.6525 20325.1646 14447.3698 264.3240 -203172.5699 2746.9562 0.0000 0.0000 51729.6832 -109614.4197 297.2912 -161344.1029 -109250.7587 298.5053 -187.2359 -158.2010 763464.8467 -10.0488 -10.1287 PRESSURE: 4153200 129.223 -173.318 -62.938 -173.319 167.078 -316.932 -62.9399 -316.932 -19.3837 GPRESSURE: 4153200 117.704 -97.4731 6.25062 -198.789 219.263 -179.402 -114.32 -211.57 27.4463 PRESSAVG: 4153200 17.3177 -46.6675 -31.1242 -46.6675 6.49465 0.339594 -31.1242 0.339639 24.5517 GPRESSAVG: 4153200 14.9442 -47.5646 -29.5588 -47.096 8.49954 -1.08771 -32.9057 1.54036 25.795 TIMING: 4153200 CPU: 13443.2, 0.00311486/step Wall: 13443.2, 0.00311486/step, 0.732684 hours remaining, 234.625000 MB of memory in use. ENERGY: 4153200 4063.4580 20320.6583 14403.6359 228.8070 -203085.2504 2560.3883 0.0000 0.0000 52216.7003 -109291.6025 300.0901 -161508.3028 -108933.9095 299.1261 92.3056 121.4711 761768.9758 16.1214 16.4129 PRESSURE: 4153400 -208.845 -25.0163 -100.901 -25.0157 -228.307 -97.5048 -100.901 -97.5044 -11.7252 GPRESSURE: 4153400 -109.231 -21.5372 -39.8792 -68.3169 -183.807 -180.005 -154.246 -32.0815 -83.4858 PRESSAVG: 4153400 37.2909 -12.5419 -25.3338 -12.5419 -43.0099 15.5586 -25.3339 15.5586 -2.72853 GPRESSAVG: 4153400 37.9801 -12.3278 -27.6339 -12.1949 -43.7843 15.3689 -23.6347 17.5176 -3.05138 TIMING: 4153400 CPU: 13443.9, 0.00311801/step Wall: 13443.9, 0.00311801/step, 0.733252 hours remaining, 234.625000 MB of memory in use. ENERGY: 4153400 3889.2090 20476.1033 14431.9322 236.8738 -203095.2766 2362.4184 0.0000 0.0000 52400.7987 -109297.9411 301.1481 -161698.7398 -108937.0608 299.3147 -149.6257 -125.5080 761703.1731 -2.8158 -2.9519 PRESSURE: 4153600 156.896 -167.788 -2.56568 -167.789 59.6685 -201.711 -2.56501 -201.711 525.323 GPRESSURE: 4153600 190.63 -245.653 27.0867 -90.3258 116.383 -176.294 -72.3682 -208.463 519.953 PRESSAVG: 4153600 11.8088 -7.53797 5.4546 -7.53802 -14.1999 18.6934 5.45456 18.6933 -3.54629 GPRESSAVG: 4153600 12.6515 -9.23869 7.22394 -4.23448 -15.0318 19.7773 6.94233 16.2573 -3.60619 TIMING: 4153600 CPU: 13444.5, 0.00315197/step Wall: 13444.5, 0.00315197/step, 0.741062 hours remaining, 234.625000 MB of memory in use. ENERGY: 4153600 4017.2269 20433.0161 14448.9002 228.6942 -203024.6225 2409.1999 0.0000 0.0000 52203.8715 -109283.7138 300.0164 -161487.5853 -108929.1108 299.9723 247.2958 275.6553 759598.1605 -1.9791 -1.9955 PRESSURE: 4153800 -75.8942 -153.609 116.223 -153.608 102.355 44.0665 116.223 44.0666 266.913 GPRESSURE: 4153800 58.3838 -158.32 105.602 -92.0665 43.7422 51.0641 78.3904 21.2263 284.782 PRESSAVG: 4153800 16.0972 -39.6298 22.3642 -39.6298 -5.15734 -20.4361 22.3642 -20.436 15.2629 GPRESSAVG: 4153800 15.3457 -38.2359 21.8289 -43.361 -4.67584 -19.02 21.1184 -19.2449 15.7064 TIMING: 4153800 CPU: 13445.1, 0.00314667/step Wall: 13445.1, 0.00314667/step, 0.739643 hours remaining, 234.625000 MB of memory in use. ENERGY: 4153800 4029.9550 20531.0216 14411.6315 241.3808 -203005.8248 2448.1265 0.0000 0.0000 51987.7175 -109355.9919 298.7741 -161343.7094 -108998.0007 299.2402 97.7913 128.9694 761661.8000 8.7342 8.7921 PRESSURE: 4154000 -205.132 -11.5928 -1.95692 -11.5927 226.427 87.1472 -1.95749 87.1473 196.483 GPRESSURE: 4154000 -140.586 -90.133 78.4459 22.7857 184.847 -4.48784 12.8166 -3.31445 268.065 PRESSAVG: 4154000 61.2447 -40.9538 51.6139 -40.9539 -66.3665 -34.9067 51.6139 -34.9067 -35.5752 GPRESSAVG: 4154000 62.0125 -37.3423 50.8684 -40.8778 -67.8269 -35.2411 52.6045 -36.9018 -35.2843 TIMING: 4154000 CPU: 13445.8, 0.0031468/step Wall: 13445.8, 0.0031468/step, 0.739498 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4154000 3908.1071 20493.2552 14526.0144 260.4058 -203520.6696 2470.3568 0.0000 0.0000 52133.0807 -109729.4496 299.6095 -161862.5303 -109362.5452 299.1351 72.5925 104.1087 759566.3512 -13.5657 -13.6996 PRESSURE: 4154200 -125.025 236.884 34.7667 236.884 35.9307 108.957 34.7667 108.958 116.716 GPRESSURE: 4154200 -105.963 228.488 -14.1518 168.693 98.8342 83.2069 204.375 258.883 133.843 PRESSAVG: 4154200 -18.9639 -19.05 4.55512 -19.0499 27.8706 -19.3652 4.55513 -19.3651 -4.5351 GPRESSAVG: 4154200 -19.9948 -20.2311 4.09889 -19.0453 29.6831 -21.2319 4.27495 -17.3955 -5.10028 TIMING: 4154200 CPU: 13446.4, 0.0031387/step Wall: 13446.4, 0.00313869/step, 0.737419 hours remaining, 234.625000 MB of memory in use. ENERGY: 4154200 4076.2144 20512.6715 14501.4942 265.4576 -203270.4938 2447.3596 0.0000 0.0000 51957.5449 -109509.7515 298.6007 -161467.2964 -109152.8555 299.2287 9.2074 42.2380 759315.7254 1.4572 1.5293 PRESSURE: 4154400 -226.734 -327.841 78.445 -327.841 -262.823 -22.6529 78.4447 -22.6534 17.9256 GPRESSURE: 4154400 -165.296 -228.082 131.771 -355.15 -267.949 -43.1708 119.112 -67.5715 48.9226 PRESSAVG: 4154400 -48.7089 -36.3301 -14.0287 -36.3302 55.1215 -7.92812 -14.0287 -7.92812 6.8983 GPRESSAVG: 4154400 -47.3226 -37.4918 -13.9469 -35.3809 53.4061 -5.29538 -13.3729 -10.0742 7.08906 TIMING: 4154400 CPU: 13447, 0.00312031/step Wall: 13447, 0.00312031/step, 0.732925 hours remaining, 234.710938 MB of memory in use. ENERGY: 4154400 4031.6886 20645.6999 14444.7185 250.4528 -203686.7660 2644.6806 0.0000 0.0000 52125.3802 -109544.1454 299.5653 -161669.5256 -109177.0070 299.0406 -157.2102 -128.1076 760371.7703 4.4369 4.3908 PRESSURE: 4154600 105.036 -152.416 110.197 -152.417 -69.3234 11.9245 110.197 11.9238 282.78 GPRESSURE: 4154600 96.8735 -211.305 126.545 -131.637 27.5143 42.2916 158.694 -89.4823 282.747 PRESSAVG: 4154600 29.4579 -90.2041 5.0797 -90.2041 -33.1955 -10.7346 5.07972 -10.7346 -6.42426 GPRESSAVG: 4154600 28.7116 -90.9693 5.53198 -91.7686 -31.6971 -10.7988 4.8686 -9.02706 -7.17319 TIMING: 4154600 CPU: 13447.6, 0.00313277/step Wall: 13447.6, 0.00313277/step, 0.735678 hours remaining, 234.710938 MB of memory in use. ENERGY: 4154600 4032.8304 20632.5426 14441.1214 255.0774 -203503.8076 2598.7441 0.0000 0.0000 52111.3918 -109432.1000 299.4849 -161543.4918 -109078.8306 299.4309 106.1645 135.7117 760350.4287 -3.3873 -3.3863 PRESSURE: 4154800 154.864 167.302 65.8337 167.301 -50.4412 167.217 65.8348 167.217 -286.468 GPRESSURE: 4154800 186.613 128.617 78.5372 150.314 -16.5355 280.881 54.2435 -3.69942 -259.367 PRESSAVG: 4154800 -52.9212 -35.7922 -22.866 -35.7922 -20.4935 0.881319 -22.8659 0.881416 15.9037 GPRESSAVG: 4154800 -53.7848 -35.2922 -23.6215 -34.1728 -19.7602 0.426611 -23.6579 -0.370645 16.1851 TIMING: 4154800 CPU: 13448.3, 0.00311729/step Wall: 13448.3, 0.00311729/step, 0.731871 hours remaining, 234.710938 MB of memory in use. ENERGY: 4154800 3930.9945 20586.5280 14426.6190 247.7320 -203148.9884 2378.9284 0.0000 0.0000 52200.8150 -109377.3715 299.9988 -161578.1865 -108999.0622 299.7756 -60.6818 -29.7631 760484.2028 -19.1703 -19.1199 PRESSURE: 4155000 7.28539 -77.9332 -71.2055 -77.9328 347.815 35.7992 -71.2044 35.7988 -396.983 GPRESSURE: 4155000 -9.69681 36.7467 -167.106 -222.947 326.609 54.3172 -118.03 58.6605 -272.221 PRESSAVG: 4155000 16.7595 -25.5933 2.05982 -25.5933 -8.35429 -11.2447 2.05983 -11.2447 -20.8359 GPRESSAVG: 4155000 17.3176 -25.8531 2.7942 -28.0978 -9.24405 -12.6374 0.447086 -9.9575 -20.7932 TIMING: 4155000 CPU: 13448.9, 0.00316013/step Wall: 13448.9, 0.00316013/step, 0.741753 hours remaining, 234.710938 MB of memory in use. ENERGY: 4155000 3929.2937 20657.8034 14397.1685 255.3267 -203223.9580 2514.7142 0.0000 0.0000 52223.1470 -109246.5045 300.1271 -161469.6515 -108874.8742 299.7468 -13.9611 14.8970 760432.1551 -4.1436 -4.2399 PRESSURE: 4155200 113.076 -53.2764 49.6645 -53.277 182.707 -159.135 49.6655 -159.134 -197.86 GPRESSURE: 4155200 202.215 -95.1379 77.5444 -54.6385 193.197 -170.89 -21.0263 -226.378 -221.251 PRESSAVG: 4155200 10.0662 -34.7769 -3.7214 -34.7769 22.7207 42.5094 -3.72138 42.5094 -15.1497 GPRESSAVG: 4155200 11.3546 -34.3881 -3.64751 -33.5282 22.271 43.8531 -2.09695 40.4087 -15.8952 TIMING: 4155200 CPU: 13449.5, 0.00311393/step Wall: 13449.5, 0.00311393/step, 0.730735 hours remaining, 234.710938 MB of memory in use. ENERGY: 4155200 3958.8946 20641.3797 14503.6830 241.0634 -203566.4357 2669.4584 0.0000 0.0000 52009.0418 -109542.9147 298.8967 -161551.9565 -109186.4104 299.5064 32.6411 58.0536 760672.3664 5.8791 5.9101 PRESSURE: 4155400 9.71645 240.762 46.3563 240.761 -55.4434 213.721 46.3565 213.721 139.797 GPRESSURE: 4155400 -2.31179 171.741 34.7632 153.168 95.5861 217.441 96.5396 107.454 90.7768 PRESSAVG: 4155400 -17.6316 -34.6585 -13.2613 -34.6585 5.38362 -8.85532 -13.2614 -8.85538 10.5628 GPRESSAVG: 4155400 -20.1931 -34.3881 -12.9057 -35.7643 7.28493 -9.9255 -13.9743 -7.10195 11.3972 TIMING: 4155400 CPU: 13450.1, 0.00313042/step Wall: 13450.1, 0.00313042/step, 0.734432 hours remaining, 234.710938 MB of memory in use. ENERGY: 4155400 4013.7620 20507.5603 14463.7679 272.7590 -203265.1162 2376.2321 0.0000 0.0000 52148.2351 -109482.7997 299.6966 -161631.0348 -109117.2702 299.1667 31.3567 61.3504 760203.1780 -0.5617 -0.5037 PRESSURE: 4155600 264.411 196.019 -235.221 196.018 -134.62 -2.41494 -235.22 -2.41547 59.2928 GPRESSURE: 4155600 212.325 50.0969 -241.815 214.515 -61.9641 -22.7166 -179.405 -25.1059 139.989 PRESSAVG: 4155600 17.9617 -10.829 2.77412 -10.829 -66.7653 22.8815 2.77412 22.8817 -2.21151 GPRESSAVG: 4155600 18.2458 -13.2703 1.93577 -9.55078 -67.6598 23.5749 3.59808 22.401 -1.68326 TIMING: 4155600 CPU: 13450.8, 0.00314161/step Wall: 13450.8, 0.00314161/step, 0.736881 hours remaining, 234.710938 MB of memory in use. ENERGY: 4155600 3984.4051 20531.6437 14483.0517 246.6788 -203704.1083 2744.5748 0.0000 0.0000 52000.0156 -109713.7385 298.8448 -161713.7541 -109349.3834 299.1009 63.0279 96.7832 758447.7582 -17.0051 -17.0324 PRESSURE: 4155800 114.886 -76.3291 -74.4555 -76.3289 -265.179 -227.008 -74.4564 -227.007 34.0702 GPRESSURE: 4155800 151.637 -57.6993 -124.813 -112.479 -131.703 -161.142 -60.0755 -190.16 -55.6871 PRESSAVG: 4155800 -67.6992 -15.2171 23.6048 -15.2171 49.6573 -13.0073 23.6048 -13.0073 11.7942 GPRESSAVG: 4155800 -66.5137 -14.1347 25.5019 -15.1124 49.7597 -13.5841 22.5716 -14.3979 10.4011 TIMING: 4155800 CPU: 13451.4, 0.00313353/step Wall: 13451.4, 0.00313353/step, 0.734813 hours remaining, 234.710938 MB of memory in use. ENERGY: 4155800 4012.5802 20295.4627 14496.2470 244.8974 -203795.6964 2646.2614 0.0000 0.0000 52205.8376 -109894.4102 300.0277 -162100.2477 -109536.1093 298.5194 -38.7409 -11.9176 759040.1046 -2.0826 -2.1176 PRESSURE: 4156000 -196.056 -256.536 -149.841 -256.537 -27.6923 -1.6276 -149.84 -1.62707 208.369 GPRESSURE: 4156000 -181.999 -338.024 -140.433 -263.543 -115.447 -94.1299 -136.836 3.72848 355.733 PRESSAVG: 4156000 21.8389 -47.3385 -30.7694 -47.3385 12.1927 -18.5879 -30.7693 -18.5879 -16.1866 GPRESSAVG: 4156000 21.9089 -46.5988 -33.3669 -48.7915 11.2787 -17.4994 -29.4896 -18.0377 -14.8593 TIMING: 4156000 CPU: 13452, 0.00314442/step Wall: 13452, 0.00314442/step, 0.737191 hours remaining, 234.710938 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: 4156000 3937.3678 20475.3765 14499.2044 233.5359 -203236.0555 2294.8461 0.0000 0.0000 51823.7399 -109971.9850 297.8317 -161795.7249 -109615.3680 298.2330 -5.1265 19.4290 759791.4544 5.9483 6.1094 PRESSURE: 4156200 154.978 -206.337 -123.302 -206.337 126.823 75.3574 -123.301 75.3577 63.2181 GPRESSURE: 4156200 255.72 -132.922 -85.9027 -144.402 100.789 34.023 -126.048 43.2769 60.9579 PRESSAVG: 4156200 -8.11974 -38.8094 8.4956 -38.8094 -8.04034 -40.2389 8.49554 -40.2389 -23.1689 GPRESSAVG: 4156200 -7.70428 -38.3451 8.88852 -38.6622 -8.60182 -42.2322 9.0225 -37.9131 -23.1857 TIMING: 4156200 CPU: 13452.7, 0.0031455/step Wall: 13452.7, 0.0031455/step, 0.73727 hours remaining, 234.710938 MB of memory in use. ENERGY: 4156200 4008.6558 20489.0762 14425.4173 249.2349 -203518.4493 2603.5318 0.0000 0.0000 51897.8262 -109844.7072 298.2575 -161742.5334 -109493.7962 298.5221 115.0064 139.1557 759007.0178 -13.1097 -13.1639 LDB: ============= START OF LOAD BALANCING ============== 13465.1 LDB: ============== END OF LOAD BALANCING =============== 13465.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13465.1 LDB: ============= START OF LOAD BALANCING ============== 13465.4 LDB: Largest compute 7068 load 0.033449 is 17.1% of average load 0.195521 LDB: Average compute 0.004383 is 2.2% of average load 0.195521 LDB: TIME 13465.4 LOAD: AVG 0.195521 MAX 0.213784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13465.4 LOAD: AVG 0.195521 MAX 0.213784 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 13465.4 LOAD: AVG 0.195521 MAX 0.213784 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 13465.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13465.4 PRESSURE: 4156400 425.223 7.67358 -62.4316 7.67348 -125.865 -48.9189 -62.432 -48.9189 674.374 GPRESSURE: 4156400 349.69 92.3747 -30.844 61.4335 -7.54485 -80.905 -59.8211 24.6061 723.427 PRESSAVG: 4156400 -39.5198 -14.8674 12.1041 -14.8675 2.67691 -22.3878 12.1041 -22.3877 10.9225 GPRESSAVG: 4156400 -40.3767 -15.0819 11.7891 -13.4567 4.52194 -22.0187 8.0539 -25.4676 10.2542 TIMING: 4156400 CPU: 13453.3, 0.0032267/step Wall: 13453.3, 0.0032267/step, 0.756124 hours remaining, 234.683594 MB of memory in use. ENERGY: 4156400 3951.8408 20384.2140 14473.6363 236.0628 -203527.7027 2713.2294 0.0000 0.0000 51850.4625 -109918.2568 297.9853 -161768.7193 -109550.7724 297.8589 324.5770 355.1907 759150.9496 -8.6402 -8.5335 PRESSURE: 4156600 32.7267 -205.156 118.192 -205.157 17.4057 -10.9045 118.193 -10.9045 182.979 GPRESSURE: 4156600 75.177 -95.813 171.707 -280.495 104.338 2.13958 86.5194 25.4921 137.103 PRESSAVG: 4156600 36.534 -41.539 5.6801 -41.539 -48.1951 7.9549 5.68009 7.95497 -21.9014 GPRESSAVG: 4156600 36.2346 -41.6078 7.23997 -41.4897 -47.963 8.82943 7.19928 10.8639 -21.4098 TIMING: 4156600 CPU: 13453.9, 0.00314739/step Wall: 13453.9, 0.00314739/step, 0.737364 hours remaining, 234.683594 MB of memory in use. ENERGY: 4156600 3879.9068 20505.1666 14541.1638 231.0849 -203537.6541 2442.8355 0.0000 0.0000 52105.3409 -109832.1558 299.4501 -161937.4967 -109465.7803 298.5962 77.7037 105.5391 759277.9552 -11.1875 -11.0461 PRESSURE: 4156800 -297.232 21.8786 -32.99 21.8784 -340.822 145.74 -32.9897 145.74 -213.003 GPRESSURE: 4156800 -178.094 -71.8225 25.738 -101.348 -337.972 102.951 -20.3465 244.317 -235.828 PRESSAVG: 4156800 -8.3232 -22.3451 56.5198 -22.345 14.7162 -50.9436 56.5198 -50.9436 7.6073 GPRESSAVG: 4156800 -9.10828 -23.1242 53.2962 -22.1064 15.5205 -50.9482 59.8125 -52.9137 7.418 TIMING: 4156800 CPU: 13454.6, 0.00314837/step Wall: 13454.6, 0.00314837/step, 0.737419 hours remaining, 235.011719 MB of memory in use. ENERGY: 4156800 3992.2292 20404.6457 14463.9892 245.7912 -203312.3948 2345.9584 0.0000 0.0000 52158.5320 -109701.2491 299.7558 -161859.7811 -109331.2672 299.0392 -283.6857 -250.6311 758257.7236 4.6668 4.6101 PRESSURE: 4157000 -256.27 -13.9161 -23.5831 -13.9155 -122.075 -170.12 -23.5827 -170.121 167.303 GPRESSURE: 4157000 -224.271 80.781 17.8439 24.2894 -89.7223 -269.396 -123.279 -59.2364 192.586 PRESSAVG: 4157000 8.41575 -59.2006 -2.84994 -59.2005 0.872457 15.2698 -2.84989 15.2699 -7.8738 GPRESSAVG: 4157000 9.73135 -59.2222 -0.875777 -60.2946 -0.686132 13.2441 -3.92723 14.8192 -7.69981 TIMING: 4157000 CPU: 13455.2, 0.00314071/step Wall: 13455.2, 0.00314071/step, 0.735449 hours remaining, 235.011719 MB of memory in use. ENERGY: 4157000 3924.1488 20521.2652 14401.0332 236.3464 -203583.5790 2603.5087 0.0000 0.0000 52243.7536 -109653.5231 300.2456 -161897.2767 -109280.3493 299.6182 -70.3473 -40.4689 760610.5013 0.4715 0.4485 PRESSURE: 4157200 557.522 -184.701 65.1307 -184.7 201.933 -143.132 65.1312 -143.131 16.0876 GPRESSURE: 4157200 562.249 20.745 -8.87455 -230.298 219.199 -91.1778 104.187 -91.5183 68.1085 PRESSAVG: 4157200 29.3467 -1.49069 -3.50373 -1.4907 -27.6791 -7.15448 -3.50378 -7.15454 -15.535 GPRESSAVG: 4157200 28.4326 0.543371 -3.81896 -1.6073 -26.9677 -5.12844 -4.84634 -7.5209 -15.5155 TIMING: 4157200 CPU: 13455.8, 0.00312328/step Wall: 13455.8, 0.00312328/step, 0.731194 hours remaining, 235.011719 MB of memory in use. ENERGY: 4157200 3952.7301 20479.7158 14440.7647 242.0432 -203781.8281 2939.1844 0.0000 0.0000 52132.0631 -109595.3268 299.6037 -161727.3899 -109228.9373 299.5130 258.5142 283.1855 760148.3578 -4.6225 -4.6836 PRESSURE: 4157400 -264.226 75.1455 43.5107 75.1451 186.369 33.9798 43.51 33.9795 -93.811 GPRESSURE: 4157400 -156.207 31.0117 66.0266 155.66 190.81 82.5028 59.7342 4.5387 -130.943 PRESSAVG: 4157400 -45.4687 -0.271943 21.9097 -0.271927 9.23429 1.90371 21.9096 1.90371 6.19508 GPRESSAVG: 4157400 -44.1768 -2.64979 21.8716 1.61964 8.65744 0.774147 20.4532 2.85431 5.31361 TIMING: 4157400 CPU: 13456.4, 0.00313888/step Wall: 13456.4, 0.00313888/step, 0.734673 hours remaining, 235.191406 MB of memory in use. ENERGY: 4157400 4127.5719 20660.4667 14460.8244 270.2097 -203716.9452 2759.2719 0.0000 0.0000 51729.6074 -109708.9931 297.2908 -161438.6005 -109349.9249 299.2325 -57.2227 -32.1133 760605.2856 -10.0131 -10.0686 PRESSURE: 4157600 43.1393 49.1852 22.1845 49.1842 126.327 -35.6791 22.1848 -35.679 365.358 GPRESSURE: 4157600 83.2991 -48.3673 -98.7713 19.7947 151.734 -88.4939 123.105 -79.2732 407.474 PRESSAVG: 4157600 -36.8359 -32.5638 -8.68523 -32.5638 44.6975 -8.85533 -8.68524 -8.85534 4.84082 GPRESSAVG: 4157600 -38.5429 -31.8792 -9.00684 -33.9347 44.6822 -9.04931 -5.72069 -9.18895 6.11962 TIMING: 4157600 CPU: 13457.1, 0.00314314/step Wall: 13457.1, 0.00314314/step, 0.735495 hours remaining, 235.191406 MB of memory in use. ENERGY: 4157600 3929.6565 20661.9546 14459.1350 246.6547 -203713.5756 2833.7476 0.0000 0.0000 51825.6702 -109756.7570 297.8428 -161582.4271 -109403.6836 299.2181 178.2747 214.1692 760097.8825 4.2342 4.0863 PRESSURE: 4157800 -183.114 32.933 -52.8518 32.9337 -44.4021 -122.24 -52.8518 -122.24 2.54637 GPRESSURE: 4157800 -166.969 -23.1717 -57.5601 140.962 55.0726 -82.1002 18.4995 -73.1213 -25.37 PRESSAVG: 4157800 -40.465 -72.5492 -40.2752 -72.5491 3.69623 16.2949 -40.2752 16.2949 -33.0708 GPRESSAVG: 4157800 -39.3294 -73.3603 -39.5804 -72.0033 2.76375 17.0046 -41.9812 14.1724 -33.2305 TIMING: 4157800 CPU: 13457.7, 0.00315145/step Wall: 13457.7, 0.00315145/step, 0.737265 hours remaining, 235.191406 MB of memory in use. ENERGY: 4157800 3915.7187 20498.6955 14365.2724 238.4636 -203245.0312 2399.2153 0.0000 0.0000 52003.6373 -109824.0284 298.8656 -161827.6657 -109467.2071 298.6579 -74.9900 -45.7553 759079.1221 -23.2799 -23.2654 PRESSURE: 4158000 -50.7109 -130.277 149.311 -130.277 164.583 -109.027 149.312 -109.025 -335.127 GPRESSURE: 4158000 -93.0725 -78.4887 176.479 -193.354 246.522 -93.8033 52.1662 96.6959 -290.67 PRESSAVG: 4158000 -73.8016 -16.5056 31.8988 -16.5056 35.3837 -63.7552 31.8988 -63.7552 23.8535 GPRESSAVG: 4158000 -76.245 -15.656 31.5372 -18.2777 38.8958 -63.8288 31.4594 -61.9409 23.0194 TIMING: 4158000 CPU: 13458.3, 0.00314291/step Wall: 13458.3, 0.00314291/step, 0.735091 hours remaining, 235.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4158000 4023.5199 20356.1511 14393.3386 234.2990 -203471.0053 2607.6585 0.0000 0.0000 51909.9165 -109946.1216 298.3270 -161856.0381 -109585.3606 298.3335 -73.7517 -45.7401 758647.7196 -4.8548 -4.7766 PRESSURE: 4158200 -36.3138 -153.876 76.5844 -153.876 -99.4944 131.118 76.5849 131.118 269.035 GPRESSURE: 4158200 37.7609 -88.4684 96.2669 -151.061 -116.26 122.247 163.401 81.1655 278.943 PRESSAVG: 4158200 -64.6376 -21.9318 8.27001 -21.9317 56.9119 -34.7713 8.27002 -34.7713 -6.68459 GPRESSAVG: 4158200 -63.8058 -22.5956 8.55091 -18.9107 55.9774 -35.3757 9.42648 -33.8474 -6.59964 TIMING: 4158200 CPU: 13459, 0.00314247/step Wall: 13459, 0.00314247/step, 0.734814 hours remaining, 235.191406 MB of memory in use. ENERGY: 4158200 4017.3632 20424.0231 14399.8451 256.5721 -203406.1834 2468.2249 0.0000 0.0000 51934.0844 -109906.0705 298.4659 -161840.1549 -109541.0267 298.6135 44.4090 66.8147 759081.3719 -4.8034 -4.8093 PRESSURE: 4158400 173.443 -6.41088 123.605 -6.41047 169.468 -331.292 123.605 -331.293 344.059 GPRESSURE: 4158400 136.053 -46.0022 128.92 -10.1277 284.909 -298.025 224.523 -359.704 361.253 PRESSAVG: 4158400 -22.5246 -26.5895 -12.6679 -26.5895 3.5018 -46.9262 -12.6679 -46.9263 7.93778 GPRESSAVG: 4158400 -21.2023 -26.4117 -10.1204 -29.2648 2.12779 -46.6134 -11.3717 -49.1976 8.08231 TIMING: 4158400 CPU: 13459.6, 0.00314989/step Wall: 13459.6, 0.00314989/step, 0.736375 hours remaining, 235.191406 MB of memory in use. ENERGY: 4158400 3946.7118 20646.2632 14393.3363 240.8404 -203693.9811 2860.9568 0.0000 0.0000 52018.6624 -109587.2102 298.9520 -161605.8726 -109230.8734 298.8879 228.9901 260.7385 759467.9520 -3.6950 -3.6641 PRESSURE: 4158600 -182.217 -19.7061 -55.3275 -19.7053 58.9518 -73.141 -55.3264 -73.1409 352.463 GPRESSURE: 4158600 -127.904 -82.6692 -123.335 2.47782 64.2918 -94.163 -49.1718 -75.9659 369.838 PRESSAVG: 4158600 -16.0886 -4.82719 -3.44557 -4.8272 22.445 -15.2815 -3.44554 -15.2815 0.746968 GPRESSAVG: 4158600 -16.8306 -4.32427 -5.77933 -3.31299 21.9405 -17.0771 -6.12017 -11.9067 1.29256 TIMING: 4158600 CPU: 13460.2, 0.00313763/step Wall: 13460.2, 0.00313763/step, 0.733334 hours remaining, 235.191406 MB of memory in use. ENERGY: 4158600 4023.4355 20482.3100 14492.1389 240.5472 -203599.2061 2664.9423 0.0000 0.0000 52127.5435 -109568.2889 299.5777 -161695.8323 -109214.7116 299.4179 76.3993 102.0751 760160.4873 2.3678 2.1342 PRESSURE: 4158800 171.274 78.0875 -92.5424 78.088 -26.8542 -36.0259 -92.5431 -36.0265 253.378 GPRESSURE: 4158800 230.285 79.5444 -110.376 188.584 4.57803 -32.3708 29.0664 -72.319 232.116 PRESSAVG: 4158800 -21.2377 -41.2811 -15.981 -41.2811 5.50884 -31.2638 -15.981 -31.2638 27.2199 GPRESSAVG: 4158800 -21.0475 -43.239 -16.7239 -42.0536 7.29781 -29.9159 -12.1862 -32.6708 25.5964 TIMING: 4158800 CPU: 13460.8, 0.00314422/step Wall: 13460.8, 0.00314422/step, 0.734699 hours remaining, 235.191406 MB of memory in use. ENERGY: 4158800 3995.2354 20490.2363 14470.3383 234.3152 -203528.5840 2699.6539 0.0000 0.0000 51974.1216 -109664.6833 298.6960 -161638.8049 -109308.1375 299.1922 132.5994 155.6597 759058.0317 3.8304 3.9489 PRESSURE: 4159000 449.809 -25.7205 13.5527 -25.7214 37.6626 81.8058 13.5528 81.8062 214.206 GPRESSURE: 4159000 487.408 -44.8503 24.9933 18.5312 125.49 132.236 32.2276 88.1066 175.943 PRESSAVG: 4159000 29.5106 -49.1427 -34.8911 -49.1428 2.79959 -60.3951 -34.8911 -60.3951 16.03 GPRESSAVG: 4159000 31.0832 -47.3736 -36.0489 -50.0182 1.19303 -60.7704 -36.9918 -60.2398 17.0661 TIMING: 4159000 CPU: 13461.5, 0.00314568/step Wall: 13461.5, 0.00314568/step, 0.734867 hours remaining, 235.191406 MB of memory in use. ENERGY: 4159000 3982.3943 20616.3604 14419.1026 245.8361 -203796.1912 2612.5509 0.0000 0.0000 52183.7771 -109736.1698 299.9009 -161919.9469 -109372.7586 298.9585 233.8926 262.9471 758676.7893 16.1134 16.4474 PRESSURE: 4159200 -276.468 -78.7979 212.243 -78.7979 -107.479 -166.569 212.243 -166.569 -78.8503 GPRESSURE: 4159200 -220.088 -97.852 186.739 -91.6269 0.00423583 -146.552 358.744 -74.2171 -157.083 PRESSAVG: 4159200 -34.3232 -42.2968 -1.19917 -42.2968 11.3814 16.0094 -1.19923 16.0094 10.5465 GPRESSAVG: 4159200 -35.1279 -43.7039 0.168163 -43.0518 13.4624 16.5855 -0.399754 14.4134 9.79403 TIMING: 4159200 CPU: 13462.1, 0.00314172/step Wall: 13462.1, 0.00314172/step, 0.733766 hours remaining, 235.191406 MB of memory in use. ENERGY: 4159200 3918.1054 20473.3043 14503.8676 259.3556 -203532.7579 2442.0809 0.0000 0.0000 51918.3370 -110017.7071 298.3754 -161936.0440 -109651.5062 298.4206 -154.2658 -125.7221 761494.9320 -4.1318 -3.9572 PRESSURE: 4159400 86.1079 -67.5201 345.441 -67.52 189.669 -111.941 345.441 -111.94 -208.374 GPRESSURE: 4159400 125.195 -83.3694 234.426 -17.997 146.013 -89.1219 291.064 -132.994 -107.323 PRESSAVG: 4159400 -52.8153 -96.6767 24.4243 -96.6766 33.8115 -10.713 24.4242 -10.7129 -26.0955 GPRESSAVG: 4159400 -52.2935 -97.2969 25.5377 -95.5947 32.4054 -9.99196 22.2127 -9.0067 -24.7182 TIMING: 4159400 CPU: 13462.7, 0.00314616/step Wall: 13462.7, 0.00314616/step, 0.734629 hours remaining, 235.191406 MB of memory in use. ENERGY: 4159400 4008.5235 20531.5299 14368.4611 262.7402 -203615.8322 2537.2140 0.0000 0.0000 52013.3552 -109894.0084 298.9215 -161907.3635 -109532.8051 298.4317 22.4677 54.6285 761243.9246 -15.0331 -14.8688 PRESSURE: 4159600 -178.236 68.1661 -89.8664 68.1664 -190.793 72.9961 -89.8659 72.9958 -281.742 GPRESSURE: 4159600 -145.122 135.282 -100.222 48.6374 -181.099 43.9633 -46.3189 37.5698 -243.359 PRESSAVG: 4159600 -13.7491 -24.0629 11.5293 -24.0629 9.57212 6.49622 11.5294 6.49622 20.3582 GPRESSAVG: 4159600 -13.5952 -24.2391 10.4963 -21.0904 9.08196 6.09517 11.3622 3.45686 20.7942 TIMING: 4159600 CPU: 13463.4, 0.00314689/step Wall: 13463.4, 0.00314689/step, 0.734624 hours remaining, 235.191406 MB of memory in use. ENERGY: 4159600 4025.2688 20493.1206 14366.9319 228.8879 -203582.0348 2509.1964 0.0000 0.0000 52072.5084 -109886.1208 299.2614 -161958.6292 -109516.2903 298.9742 -216.9236 -189.8600 761320.7403 5.3937 5.4270 PRESSURE: 4159800 -366.558 -16.3976 -27.6416 -16.3975 -3.93985 -51.12 -27.6421 -51.1202 -304.697 GPRESSURE: 4159800 -288.962 -107.193 -28.7054 43.5557 -45.9455 -33.8689 -3.99501 110.692 -283.267 PRESSAVG: 4159800 -10.54 -6.84249 -19.4957 -6.84251 32.258 26.6772 -19.4957 26.6773 -3.34178 GPRESSAVG: 4159800 -11.435 -5.61264 -18.8115 -8.99002 34.3994 25.7987 -18.4028 28.4994 -4.09155 TIMING: 4159800 CPU: 13464, 0.00314733/step Wall: 13464, 0.00314733/step, 0.734552 hours remaining, 235.191406 MB of memory in use. ENERGY: 4159800 4058.4697 20548.2734 14445.4453 246.2777 -203987.1820 2626.0349 0.0000 0.0000 52026.1092 -110036.5718 298.9948 -162062.6810 -109673.5416 299.1140 -225.0650 -206.0583 759825.5394 6.1254 6.2910 PRESSURE: 4160000 60.4275 215.225 -6.70304 215.224 -96.0349 98.3261 -6.70283 98.3268 102.364 GPRESSURE: 4160000 -30.8708 310.479 -18.4064 78.1193 12.7999 62.2665 29.867 132.52 164.536 PRESSAVG: 4160000 15.2021 3.79242 10.4041 3.79245 -35.245 17.3473 10.4042 17.3473 -16.7626 GPRESSAVG: 4160000 14.8663 5.14897 9.49841 1.87744 -35.754 17.8837 11.4322 18.9204 -15.983 TIMING: 4160000 CPU: 13464.6, 0.00313984/step Wall: 13464.6, 0.00313984/step, 0.732629 hours remaining, 235.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4160000 3972.1972 20639.6321 14400.3961 248.1070 -203598.2879 2622.7622 0.0000 0.0000 51856.4918 -109858.7015 298.0200 -161715.1933 -109505.6665 298.8026 22.2522 48.8216 758969.9514 -12.2685 -12.2902 PRESSURE: 4160200 -239.246 -50.3244 -38.326 -50.3242 -68.7399 79.4021 -38.3252 79.4028 -646.572 GPRESSURE: 4160200 -206.572 -73.094 -117 -0.950403 -3.27612 61.3716 -69.603 75.2263 -653.642 PRESSAVG: 4160200 40.3047 -23.3553 12.3789 -23.3553 -44.0948 35.8761 12.3788 35.876 9.737 GPRESSAVG: 4160200 40.7498 -23.9906 13.7857 -21.257 -42.851 35.8817 9.38012 34.6371 8.26878 TIMING: 4160200 CPU: 13465.2, 0.00314559/step Wall: 13465.2, 0.00314559/step, 0.733796 hours remaining, 235.191406 MB of memory in use. ENERGY: 4160200 3963.2320 20614.0178 14393.9012 246.6231 -203611.8318 2536.9176 0.0000 0.0000 51759.7827 -110097.3572 297.4642 -161857.1399 -109746.7668 298.7783 -318.1858 -287.8300 759026.3719 1.9823 2.0558 LDB: ============= START OF LOAD BALANCING ============== 13477.7 LDB: ============== END OF LOAD BALANCING =============== 13477.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13477.7 LDB: ============= START OF LOAD BALANCING ============== 13478 LDB: Largest compute 7068 load 0.033690 is 17.2% of average load 0.195575 LDB: Average compute 0.004370 is 2.2% of average load 0.195575 LDB: TIME 13478 LOAD: AVG 0.195575 MAX 0.214819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.398 MB LDB: TIME 13478 LOAD: AVG 0.195575 MAX 0.214819 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.598 MB LDB: TIME 13478 LOAD: AVG 0.195575 MAX 0.214819 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.598 MB LDB: ============== END OF LOAD BALANCING =============== 13478 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13478 PRESSURE: 4160400 72.0322 45.2867 49.0533 45.2868 -292.877 365.827 49.0537 365.827 -224.056 GPRESSURE: 4160400 116.304 36.2142 52.8717 58.5195 -336.893 417.853 92.6824 288.142 -141.62 PRESSAVG: 4160400 -7.23487 -40.0264 -14.9611 -40.0263 18.4718 31.2826 -14.9611 31.2827 -13.8521 GPRESSAVG: 4160400 -7.17133 -39.8443 -14.9612 -40.813 17.881 33.5708 -11.649 32.6783 -13.1772 TIMING: 4160400 CPU: 13465.9, 0.00324326/step Wall: 13465.9, 0.00324326/step, 0.756401 hours remaining, 236.183594 MB of memory in use. ENERGY: 4160400 3992.7825 20581.5599 14434.7063 253.5236 -203645.1911 2493.1353 0.0000 0.0000 51925.6195 -109963.8641 298.4172 -161889.4836 -109611.9787 298.2003 -148.3000 -120.7364 759277.2472 -0.8717 -0.8225 PRESSURE: 4160600 -242.176 118.055 3.07817 118.055 -2.67718 -86.7929 3.07773 -86.7935 -570.174 GPRESSURE: 4160600 -193.692 84.7881 -45.1871 0.437098 -0.0444799 -125.136 -37.5055 -102.131 -535.834 PRESSAVG: 4160600 -8.51688 -49.3315 -0.944544 -49.3315 36.5357 17.1057 -0.944608 17.1057 5.03665 GPRESSAVG: 4160600 -10.0882 -49.775 -2.08854 -49.3168 37.3368 15.5284 -2.23135 14.8572 5.64122 TIMING: 4160600 CPU: 13466.5, 0.00314861/step Wall: 13466.5, 0.00314861/step, 0.734152 hours remaining, 236.386719 MB of memory in use. ENERGY: 4160600 4052.4853 20454.7764 14451.1248 264.2991 -203596.5334 2604.1930 0.0000 0.0000 51855.7258 -109913.9291 298.0156 -161769.6549 -109550.5074 298.1604 -271.6760 -243.1903 760546.7802 11.0185 10.9633 PRESSURE: 4160800 -95.3811 76.9832 -257.178 76.9832 -236.75 -70.2445 -257.178 -70.2453 -350.644 GPRESSURE: 4160800 22.9494 90.4266 -224.096 240.752 -240.672 -97.3228 -213.474 -93.6889 -392.257 PRESSAVG: 4160800 -21.5618 -62.4796 17.0354 -62.4796 80.7292 -77.7302 17.0354 -77.7303 19.2052 GPRESSAVG: 4160800 -20.9962 -63.4374 17.3993 -62.3469 79.2879 -77.0937 17.6879 -74.9027 19.5711 TIMING: 4160800 CPU: 13467.1, 0.00312136/step Wall: 13467.1, 0.00312136/step, 0.727623 hours remaining, 236.386719 MB of memory in use. ENERGY: 4160800 3940.5152 20568.4442 14425.2896 245.0715 -203219.7103 2306.5388 0.0000 0.0000 51704.6244 -110029.2267 297.1472 -161733.8511 -109669.0277 298.3107 -227.5918 -203.3263 760027.7169 26.1242 25.9543 PRESSURE: 4161000 123.274 -71.3341 -133.587 -71.3336 -101.42 -61.1433 -133.587 -61.1427 342.998 GPRESSURE: 4161000 46.3282 -226.959 -133.344 -146.25 81.9362 6.62568 -254.245 -107.638 324.802 PRESSAVG: 4161000 -25.3098 -31.7 -11.3706 -31.7 32.1264 -4.00469 -11.3706 -4.00471 0.683218 GPRESSAVG: 4161000 -25.2147 -32.1276 -11.2904 -31.9574 33.2684 -4.81906 -11.3123 -5.08283 -0.242466 TIMING: 4161000 CPU: 13467.8, 0.00313833/step Wall: 13467.8, 0.00313833/step, 0.731404 hours remaining, 236.386719 MB of memory in use. ENERGY: 4161000 3969.0266 20575.2151 14449.5836 226.7818 -203814.0363 2627.0759 0.0000 0.0000 51860.3455 -110106.0076 298.0421 -161966.3531 -109748.7267 298.1565 121.6175 151.0220 759009.3535 2.4999 2.6037 PRESSURE: 4161200 -113.818 45.2824 -9.96323 45.2824 54.0381 147.527 -9.96379 147.527 -67.0547 GPRESSURE: 4161200 -132.66 -12.6855 -11.1088 99.2447 117.977 181.194 93.9329 131.326 -34.5337 PRESSAVG: 4161200 -46.0603 -66.0206 -3.80581 -66.0206 47.1183 -35.5088 -3.80578 -35.5088 8.85665 GPRESSAVG: 4161200 -45.2521 -66.3169 -4.79193 -65.0635 45.9421 -33.2901 -3.57636 -36.465 8.8819 TIMING: 4161200 CPU: 13468.4, 0.00314937/step Wall: 13468.4, 0.00314937/step, 0.733804 hours remaining, 236.386719 MB of memory in use. ENERGY: 4161200 3901.5882 20579.9434 14521.6558 246.9888 -203514.2188 2412.0746 0.0000 0.0000 51678.2749 -110173.6932 296.9958 -161851.9681 -109807.2274 298.3196 -42.2781 -16.4054 758672.3990 3.3049 3.1906 PRESSURE: 4161400 -304.319 -37.7523 -24.8507 -37.7529 116.29 157.943 -24.8498 157.942 388.563 GPRESSURE: 4161400 -130.595 -6.0109 38.2527 25.8823 25.3454 87.3489 -15.2975 278.217 400.41 PRESSAVG: 4161400 2.61014 -73.6274 -41.6387 -73.6274 -7.12047 22.7289 -41.6387 22.7289 -21.6339 GPRESSAVG: 4161400 1.93275 -72.184 -41.1178 -72.5067 -6.92271 20.3916 -42.3922 22.5678 -21.1243 TIMING: 4161400 CPU: 13469, 0.00314179/step Wall: 13469, 0.00314179/step, 0.731863 hours remaining, 236.386719 MB of memory in use. ENERGY: 4161400 3981.6732 20491.2030 14484.8118 233.0034 -203555.6535 2588.9675 0.0000 0.0000 51782.2319 -109993.7626 297.5932 -161775.9945 -109646.8350 298.2980 66.8446 98.3869 759829.8970 -8.7147 -8.7048 PRESSURE: 4161600 235.055 138.193 -207.477 138.193 171.687 29.108 -207.477 29.1069 421.998 GPRESSURE: 4161600 238.71 -47.3761 -167.725 76.1453 258.794 55.0252 -238.296 -92.1519 404.891 PRESSAVG: 4161600 28.9961 -35.5876 -17.195 -35.5876 -13.6345 -26.0746 -17.1951 -26.0746 4.66782 GPRESSAVG: 4161600 30.0897 -37.3385 -16.4875 -35.7203 -13.9801 -23.8932 -15.9867 -26.7848 4.05425 TIMING: 4161600 CPU: 13469.7, 0.00314632/step Wall: 13469.7, 0.00314632/step, 0.732743 hours remaining, 236.386719 MB of memory in use. ENERGY: 4161600 3914.9121 20414.8308 14483.0600 261.5768 -203845.0210 2935.5570 0.0000 0.0000 52062.7936 -109772.2907 299.2056 -161835.0843 -109403.0421 298.6008 276.2471 300.7986 759935.3690 6.6765 6.7213 PRESSURE: 4161800 175.374 -176.433 -164.615 -176.434 124.863 -175.517 -164.614 -175.518 256.389 GPRESSURE: 4161800 158.609 -211.87 -139.744 -103.085 188.295 -142.766 -165.389 -87.2335 291.294 PRESSAVG: 4161800 31.3546 -113.654 -29.9723 -113.654 -64.0908 9.85026 -29.9723 9.85036 -4.06268 GPRESSAVG: 4161800 30.5368 -110.784 -31.7326 -114.55 -64.2212 8.56605 -29.581 11.2497 -3.38567 TIMING: 4161800 CPU: 13470.3, 0.0031425/step Wall: 13470.3, 0.0031425/step, 0.731679 hours remaining, 236.386719 MB of memory in use. ENERGY: 4161800 4000.9493 20639.1782 14390.2737 241.7685 -203422.8664 2724.4776 0.0000 0.0000 51834.6366 -109591.5825 297.8944 -161426.2191 -109233.5644 298.8243 185.5422 212.7329 760046.5179 -12.2663 -12.3567 PRESSURE: 4162000 5.91785 -18.7662 128.969 -18.7661 61.1755 14.2263 128.969 14.2276 44.1618 GPRESSURE: 4162000 30.024 -22.4218 93.3873 3.53256 94.0062 -70.5711 37.405 12.709 82.2227 PRESSAVG: 4162000 -3.5224 -37.5648 -10.7969 -37.5648 8.02715 31.1801 -10.7969 31.1802 9.68984 GPRESSAVG: 4162000 -3.21571 -39.3747 -9.423 -38.2054 8.78345 31.3868 -11.7443 30.7411 9.19275 TIMING: 4162000 CPU: 13470.9, 0.00314518/step Wall: 13470.9, 0.00314518/step, 0.732127 hours remaining, 236.386719 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: 4162000 3951.0843 20508.2156 14402.6019 239.7775 -203269.4718 2482.3643 0.0000 0.0000 52111.2380 -109574.1901 299.4840 -161685.4281 -109208.6398 299.3131 37.0851 68.7510 760746.0230 4.7315 4.9202 PRESSURE: 4162200 -176.792 -40.358 -40.5615 -40.3586 -175.247 -153.714 -40.5611 -153.713 -276.773 GPRESSURE: 4162200 -86.3108 21.2211 -23.0928 -100.895 -131.458 -203.026 35.1231 -52.2924 -324.149 PRESSAVG: 4162200 -42.2482 -53.8867 -62.2566 -53.8868 12.0649 42.7656 -62.2566 42.7657 -6.39868 GPRESSAVG: 4162200 -41.9634 -53.4141 -61.6789 -53.1894 12.2186 41.7234 -60.9483 43.5224 -6.74853 TIMING: 4162200 CPU: 13471.5, 0.00313735/step Wall: 13471.5, 0.00313735/step, 0.730132 hours remaining, 236.386719 MB of memory in use. ENERGY: 4162200 3986.6984 20474.8597 14430.4118 253.9752 -203359.9080 2269.3580 0.0000 0.0000 52135.3441 -109809.2606 299.6225 -161944.6047 -109449.0577 299.6335 -209.6043 -180.6392 760334.0619 -12.1940 -12.1644 PRESSURE: 4162400 169.176 143.442 -244.04 143.442 234.985 83.9913 -244.039 83.9914 217.15 GPRESSURE: 4162400 159.936 60.0559 -186.461 35.5108 260.646 17.3227 -64.7787 132.49 276.552 PRESSAVG: 4162400 61.3302 -29.7007 -21.7625 -29.7007 -27.0822 -5.50392 -21.7625 -5.50397 10.181 GPRESSAVG: 4162400 61.2307 -29.842 -21.7441 -29.9108 -28.2724 -5.47156 -22.942 -5.00555 10.8464 TIMING: 4162400 CPU: 13472.2, 0.00313105/step Wall: 13472.2, 0.00313105/step, 0.72849 hours remaining, 236.386719 MB of memory in use. ENERGY: 4162400 3889.4859 20561.0996 14422.6667 267.3858 -203629.7830 2688.8325 0.0000 0.0000 51896.9226 -109903.3898 298.2523 -161800.3124 -109547.6158 298.7170 207.1040 232.3779 759982.7859 14.8097 14.6016 PRESSURE: 4162600 -241.624 36.9057 -73.4184 36.9049 -44.9963 -53.0237 -73.4182 -53.0239 -196.493 GPRESSURE: 4162600 -151.585 1.91216 -31.406 18.1777 -39.0618 -7.00064 -61.2711 -114.948 -196.441 PRESSAVG: 4162600 -19.876 10.4252 -35.165 10.4252 3.58992 15.7425 -35.165 15.7424 -5.06266 GPRESSAVG: 4162600 -21.477 10.5971 -35.3344 10.2058 5.19801 17.2049 -34.7993 13.624 -5.87231 TIMING: 4162600 CPU: 13472.8, 0.0031412/step Wall: 13472.8, 0.0031412/step, 0.730677 hours remaining, 236.386719 MB of memory in use. ENERGY: 4162600 4073.6127 20316.7218 14451.8792 249.5552 -203861.9484 2640.1559 0.0000 0.0000 52002.8217 -110127.2018 298.8609 -162130.0235 -109761.1104 298.4673 -161.0378 -129.0295 759654.3848 -7.1162 -7.3838 PRESSURE: 4162800 -25.0438 -201.27 90.9055 -201.269 -445.333 111.069 90.9061 111.069 40.9818 GPRESSURE: 4162800 21.966 -113.474 -2.18848 -272.285 -373.744 113.721 115.13 110.219 21.6242 PRESSAVG: 4162800 7.39736 -53.6324 -18.3939 -53.6324 4.46367 -39.0632 -18.394 -39.0632 53.9532 GPRESSAVG: 4162800 8.07865 -52.18 -19.5691 -54.4773 3.41307 -38.9562 -17.2484 -38.8843 54.6753 TIMING: 4162800 CPU: 13473.4, 0.003166/step Wall: 13473.4, 0.003166/step, 0.736271 hours remaining, 236.386719 MB of memory in use. ENERGY: 4162800 4032.1018 20336.0778 14411.9585 236.7781 -204014.1095 2801.1160 0.0000 0.0000 52111.1027 -110084.9746 299.4832 -162196.0773 -109722.3040 298.8701 -143.1318 -110.0513 758454.7780 21.9381 22.0557 PRESSURE: 4163000 -127.054 -34.8802 21.3469 -34.8798 -204.814 193.062 21.3468 193.062 -540.881 GPRESSURE: 4163000 -197.67 -122.969 -13.167 -54.0914 -127.079 245.11 20.1481 91.6644 -469.898 PRESSAVG: 4163000 -7.37258 -95.729 -1.27426 -95.729 -20.3586 -14.4317 -1.27432 -14.4316 3.00501 GPRESSAVG: 4163000 -8.10352 -97.685 -0.563735 -96.1421 -18.8554 -14.5887 -1.6675 -11.1327 2.16223 TIMING: 4163000 CPU: 13474.1, 0.0031563/step Wall: 13474.1, 0.0031563/step, 0.73384 hours remaining, 236.386719 MB of memory in use. ENERGY: 4163000 3972.5512 20496.0313 14482.6924 229.8619 -203384.6007 2143.8711 0.0000 0.0000 51817.5719 -110242.0210 297.7963 -162059.5929 -109879.3081 297.8673 -290.9162 -264.8824 759787.1374 -8.2421 -8.2656 PRESSURE: 4163200 -19.0881 25.1788 208.765 25.1798 251.725 -122.398 208.765 -122.397 -9.35432 GPRESSURE: 4163200 59.2782 35.0383 202.626 48.3947 238.725 -53.6073 49.3447 -216.197 14.3407 PRESSAVG: 4163200 -9.96964 -11.6721 30.7569 -11.6721 -3.07187 -3.13176 30.7569 -3.13171 -3.2042 GPRESSAVG: 4163200 -9.91237 -12.2424 30.8415 -11.1206 -4.12137 -3.56704 29.7313 -5.59942 -2.03658 TIMING: 4163200 CPU: 13474.7, 0.00314331/step Wall: 13474.7, 0.00314331/step, 0.730644 hours remaining, 236.386719 MB of memory in use. ENERGY: 4163200 3951.7512 20463.5047 14436.9174 259.3250 -203676.4671 2784.4116 0.0000 0.0000 51735.0899 -110045.4674 297.3223 -161780.5573 -109687.6107 298.0187 74.4276 104.1147 759006.4963 -5.4152 -5.3568 PRESSURE: 4163400 434.006 -5.96916 -132.96 -5.96889 -126.081 -62.667 -132.96 -62.668 290.094 GPRESSURE: 4163400 456.434 86.8401 -147.407 12.8168 0.0232916 -51.3658 -145.629 45.6544 236.492 PRESSAVG: 4163400 -45.7866 -14.1519 -12.3861 -14.1518 43.4929 -104.292 -12.3861 -104.292 -5.103 GPRESSAVG: 4163400 -46.1642 -11.3484 -13.5837 -15.3418 43.196 -103.256 -10.5437 -104.156 -4.77716 TIMING: 4163400 CPU: 13475.3, 0.00313383/step Wall: 13475.3, 0.00313383/step, 0.728267 hours remaining, 236.386719 MB of memory in use. ENERGY: 4163400 3992.5588 20501.8914 14404.6020 245.1945 -203927.6332 2904.8209 0.0000 0.0000 51856.5419 -110022.0237 298.0203 -161878.5656 -109664.6544 298.2379 199.3396 230.9833 758042.0473 -2.4656 -2.5818 PRESSURE: 4163600 -88.5324 89.6166 58.7925 89.6167 -438.717 222.051 58.793 222.052 55.3229 GPRESSURE: 4163600 -28.304 88.6167 137.769 32.5359 -385.537 203.056 -16.7098 77.3238 48.6055 PRESSAVG: 4163600 -8.41803 -19.6866 15.217 -19.6865 -10.6781 0.877845 15.217 0.877877 31.1411 GPRESSAVG: 4163600 -6.56419 -21.55 15.4246 -17.8943 -11.2909 -0.464716 13.4507 0.826793 29.4357 TIMING: 4163600 CPU: 13475.9, 0.0031324/step Wall: 13475.9, 0.0031324/step, 0.727761 hours remaining, 236.386719 MB of memory in use. ENERGY: 4163600 3972.8696 20462.5733 14433.4745 263.7972 -203789.5554 2720.5965 0.0000 0.0000 51848.6354 -110087.6088 297.9748 -161936.2441 -109723.6155 297.7866 -157.3089 -121.7453 759947.0006 4.0150 3.8602 PRESSURE: 4163800 -45.5858 96.0384 7.0228 96.0384 207.946 17.8197 7.0235 17.8201 -134.168 GPRESSURE: 4163800 -15.7431 11.2128 -22.2217 43.545 190.46 -13.0758 40.8663 -25.0822 -74.2716 PRESSAVG: 4163800 51.7041 22.1884 -46.0975 22.1883 -37.0525 -17.5301 -46.0974 -17.5302 28.8507 GPRESSAVG: 4163800 50.2297 23.3099 -46.5107 21.3037 -37.4285 -15.7045 -47.3585 -18.9618 30.8797 TIMING: 4163800 CPU: 13476.6, 0.0031392/step Wall: 13476.6, 0.0031392/step, 0.729166 hours remaining, 236.386719 MB of memory in use. ENERGY: 4163800 4000.9363 20430.2783 14437.4091 247.6029 -203717.3097 2693.6252 0.0000 0.0000 51787.2656 -110120.1922 297.6221 -161907.4578 -109762.6529 298.0023 9.3972 33.4817 760649.4995 14.5008 14.5603 PRESSURE: 4164000 305.288 -16.8808 -72.4427 -16.8808 -132.624 -138.137 -72.4428 -138.136 239.455 GPRESSURE: 4164000 378.859 48.6396 -65.3795 57.2723 -34.4882 -52.6842 23.8645 -167.355 155.235 PRESSAVG: 4164000 33.3315 -32.0284 -81.1628 -32.0284 -55.9437 11.8167 -81.1627 11.8168 -37.2113 GPRESSAVG: 4164000 33.1371 -32.2533 -81.1729 -31.1382 -54.3129 11.3158 -77.9869 12.7947 -38.3112 TIMING: 4164000 CPU: 13477.2, 0.00315594/step Wall: 13477.2, 0.00315594/step, 0.732879 hours remaining, 236.386719 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: 4164000 3956.9122 20406.5312 14389.4291 243.5431 -203672.3266 2699.1198 0.0000 0.0000 51923.0658 -110053.7254 298.4026 -161976.7912 -109699.3613 297.7339 137.3727 166.5354 759856.4529 -19.9412 -19.8290 PRESSURE: 4164200 -311.452 300.664 169.215 300.665 -252.442 -168.011 169.217 -168.011 -220.826 GPRESSURE: 4164200 -311.581 267.998 123.995 209.805 -190.179 -184.176 122.538 -223.845 -189.833 PRESSAVG: 4164200 -9.25178 -42.8763 0.701953 -42.8763 45.5585 20.4106 0.701909 20.4105 -1.74091 GPRESSAVG: 4164200 -9.286 -43.5289 1.53504 -41.968 46.3117 18.3881 0.808534 21.4755 -1.45059 TIMING: 4164200 CPU: 13477.8, 0.00316923/step Wall: 13477.8, 0.00316923/step, 0.73579 hours remaining, 236.386719 MB of memory in use. ENERGY: 4164200 3997.6769 20341.3968 14429.0840 253.6465 -203480.6514 2585.0157 0.0000 0.0000 51866.6734 -110007.1581 298.0785 -161873.8315 -109654.1549 297.7221 -261.5730 -230.5311 760652.6517 11.5219 11.8584 LDB: ============= START OF LOAD BALANCING ============== 13490.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13490.3 LDB: =============== DONE WITH MIGRATION ================ 13490.3 LDB: ============= START OF LOAD BALANCING ============== 13490.6 LDB: Largest compute 7068 load 0.034257 is 17.5% of average load 0.195399 LDB: Average compute 0.004408 is 2.3% of average load 0.195399 LDB: TIME 13490.6 LOAD: AVG 0.195399 MAX 0.214088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.422 MB LDB: TIME 13490.6 LOAD: AVG 0.195399 MAX 0.214088 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.625 MB LDB: TIME 13490.6 LOAD: AVG 0.195399 MAX 0.214088 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.625 MB LDB: ============== END OF LOAD BALANCING =============== 13490.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13490.6 PRESSURE: 4164400 62.7817 218.723 165.76 218.723 31.5958 -11.9058 165.759 -11.9039 19.0217 GPRESSURE: 4164400 25.899 188.229 172.211 66.4511 81.9438 34.3209 31.786 -105.902 92.9671 PRESSAVG: 4164400 19.7998 -37.3876 14.8238 -37.3875 -1.19836 3.16294 14.8238 3.16295 3.0747 GPRESSAVG: 4164400 20.4932 -37.1798 14.7204 -39.359 -2.4222 5.2636 13.1295 1.04357 3.68219 TIMING: 4164400 CPU: 13478.5, 0.00321587/step Wall: 13478.5, 0.00321587/step, 0.746439 hours remaining, 236.289062 MB of memory in use. ENERGY: 4164400 3942.1713 20349.9163 14365.3691 248.4418 -203356.0971 2736.9234 0.0000 0.0000 51775.4469 -109937.8282 297.5542 -161713.2751 -109577.7148 298.0878 37.7997 66.9366 762579.4727 7.2254 7.2511 PRESSURE: 4164600 206.601 -234.944 117.748 -234.944 -56.541 -68.4845 117.748 -68.4847 190.636 GPRESSURE: 4164600 247.969 -187.206 172.331 -195.557 52.1864 -159.6 167.843 -25.7132 147.092 PRESSAVG: 4164600 -2.73927 -38.6741 31.1928 -38.6742 -3.89704 -19.0359 31.1929 -19.0359 16.1766 GPRESSAVG: 4164600 -2.88773 -40.1038 31.758 -35.9395 -3.23881 -19.9576 30.8486 -18.1397 15.8677 TIMING: 4164600 CPU: 13479.1, 0.00315758/step Wall: 13479.1, 0.00315758/step, 0.732733 hours remaining, 236.492188 MB of memory in use. ENERGY: 4164600 3923.6986 20365.6061 14436.8267 241.1516 -203555.6367 2755.7933 0.0000 0.0000 51812.6534 -110019.9071 297.7680 -161832.5605 -109654.7188 298.2601 113.5654 149.0823 760251.2213 3.1801 3.2471 PRESSURE: 4164800 -10.7168 62.0086 137.772 62.0084 -157.039 -108.837 137.772 -108.838 -521.495 GPRESSURE: 4164800 27.9273 101.67 50.1836 127.036 -197.379 -55.1438 189.116 -96.5667 -454.297 PRESSAVG: 4164800 53.453 1.43526 45.5724 1.43528 -28.6379 -67.5591 45.5724 -67.5591 11.6576 GPRESSAVG: 4164800 54.0608 2.76529 44.5705 -1.50207 -28.9125 -66.2693 46.5456 -66.913 11.3807 TIMING: 4164800 CPU: 13479.7, 0.00314825/step Wall: 13479.7, 0.00314825/step, 0.730394 hours remaining, 236.492188 MB of memory in use. ENERGY: 4164800 3946.3719 20485.6188 14497.9429 251.2986 -203039.5985 2211.8722 0.0000 0.0000 51638.6613 -110007.8329 296.7681 -161646.4942 -109649.7984 297.5013 -229.7505 -207.9160 760012.0894 12.1576 12.1764 PRESSURE: 4165000 -275.661 90.6277 -145.838 90.6278 -84.8613 -92.0516 -145.837 -92.0523 -431.344 GPRESSURE: 4165000 -293.184 38.003 -137.76 76.4039 -20.5483 -110.437 -47.2793 -134.686 -390.177 PRESSAVG: 4165000 -47.8336 37.2039 -20.9934 37.2039 33.3215 -48.5143 -20.9934 -48.5143 25.5531 GPRESSAVG: 4165000 -47.4961 37.4485 -20.2062 37.9784 32.9384 -50.263 -21.8609 -49.2572 25.322 TIMING: 4165000 CPU: 13480.4, 0.00314542/step Wall: 13480.4, 0.00314542/step, 0.729562 hours remaining, 236.492188 MB of memory in use. ENERGY: 4165000 3989.6182 20480.8601 14424.5150 230.3586 -203289.9955 2365.5595 0.0000 0.0000 51972.5845 -109826.4996 298.6872 -161799.0841 -109465.2573 298.2895 -263.9553 -234.6364 761025.0798 3.6803 3.5881 PRESSURE: 4165200 20.5756 178.182 58.6521 178.181 -230.068 -204.739 58.652 -204.739 267.496 GPRESSURE: 4165200 15.3661 172.456 71.2112 170.598 -105.297 -174.898 0.0335281 -129.287 237.948 PRESSAVG: 4165200 37.3779 6.51088 20.8285 6.51083 -46.5909 -41.641 20.8284 -41.641 -0.348647 GPRESSAVG: 4165200 37.6771 8.97035 21.3138 6.35586 -47.9476 -40.4424 20.4898 -39.5128 0.105592 TIMING: 4165200 CPU: 13481, 0.00311985/step Wall: 13481, 0.00311985/step, 0.723458 hours remaining, 236.492188 MB of memory in use. ENERGY: 4165200 4006.0489 20230.8950 14401.1310 262.0161 -203769.6537 2739.9412 0.0000 0.0000 52277.4522 -109852.1692 300.4392 -162129.6214 -109481.7661 298.8708 19.3345 49.3388 760206.6716 -3.1872 -3.3883 PRESSURE: 4165400 307.238 -0.441382 172.53 -0.441341 149.031 -158.399 172.53 -158.399 311.868 GPRESSURE: 4165400 366.701 -77.6667 163.829 -20.8162 170.44 -165.837 41.4161 -230.32 322.382 PRESSAVG: 4165400 52.9225 -59.9306 36.2761 -59.9306 -20.4915 -27.2961 36.2762 -27.2961 -16.8761 GPRESSAVG: 4165400 52.1942 -63.1923 36.736 -59.2813 -18.4361 -27.9311 35.9605 -28.8505 -18.0511 TIMING: 4165400 CPU: 13481.6, 0.00314636/step Wall: 13481.6, 0.00314636/step, 0.729432 hours remaining, 236.492188 MB of memory in use. ENERGY: 4165400 3885.0888 20315.9565 14469.0093 255.3584 -203439.5237 2538.3622 0.0000 0.0000 52084.8948 -109890.8537 299.3326 -161975.7486 -109519.9821 298.8197 256.0456 286.5075 759769.9904 5.1850 5.2357 PRESSURE: 4165600 -177.355 -123.176 134.978 -123.178 117.659 27.7464 134.977 27.7475 497.758 GPRESSURE: 4165600 -59.1119 -231.658 96.4496 -170.306 109.255 4.65635 266.166 -74.0787 460.15 PRESSAVG: 4165600 22.6059 8.52188 -12.7313 8.52183 6.48832 12.6127 -12.7313 12.6128 -4.04599 GPRESSAVG: 4165600 22.9544 7.2308 -11.8701 9.92405 7.43108 13.8442 -12.531 9.56285 -4.75398 TIMING: 4165600 CPU: 13482.3, 0.00313616/step Wall: 13482.3, 0.00313616/step, 0.726893 hours remaining, 236.492188 MB of memory in use. ENERGY: 4165600 3892.7012 20709.3144 14433.2921 249.2956 -203946.0031 2734.0699 0.0000 0.0000 52202.9557 -109724.3742 300.0111 -161927.3299 -109355.6186 298.7896 146.0207 170.0975 760487.9745 8.3494 8.5438 PRESSURE: 4165800 207.969 -69.8967 49.4644 -69.8971 304.106 -204.43 49.4648 -204.431 -45.0346 GPRESSURE: 4165800 318.833 -30.8854 69.2893 -107.057 232.117 -201.597 -101.132 -37.3187 -17.2377 PRESSAVG: 4165800 -36.2356 -41.8365 17.3209 -41.8367 31.413 -46.5286 17.3209 -46.5286 -1.05512 GPRESSAVG: 4165800 -36.0948 -39.1692 15.5925 -44.3804 29.6599 -47.4696 16.4799 -41.6364 0.503385 TIMING: 4165800 CPU: 13482.9, 0.00315388/step Wall: 13482.9, 0.00315388/step, 0.730823 hours remaining, 236.492188 MB of memory in use. ENERGY: 4165800 4000.9128 20391.2449 14392.0651 239.9596 -203457.1747 2543.5717 0.0000 0.0000 51942.1517 -109947.2691 298.5123 -161889.4207 -109578.9484 298.3684 155.6802 177.9040 761178.4324 -1.9593 -1.9772 PRESSURE: 4166000 -209.683 -58.2937 185.247 -58.2948 -89.6318 -17.5252 185.247 -17.5256 -137.784 GPRESSURE: 4166000 -160.367 -81.1836 143.887 -10.711 -157.8 -52.75 131.891 -85.1749 -35.6918 PRESSAVG: 4166000 12.5245 -42.5572 36.3378 -42.5572 2.59728 -72.8854 36.3378 -72.8855 4.4074 GPRESSAVG: 4166000 12.4435 -42.6379 37.5604 -41.2159 2.11998 -72.966 34.2558 -76.3006 5.39761 TIMING: 4166000 CPU: 13483.5, 0.00316155/step Wall: 13483.5, 0.00316155/step, 0.732426 hours remaining, 236.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4166000 4033.9939 20427.6911 14437.4445 264.1979 -203977.3288 2805.2842 0.0000 0.0000 52014.9857 -109993.7315 298.9308 -162008.7172 -109633.1193 298.6370 -145.6996 -117.9529 760015.1964 6.5097 6.6537 PRESSURE: 4166200 -105.111 -9.17968 -281.764 -9.181 -670.392 -11.2749 -281.764 -11.2742 -93.0037 GPRESSURE: 4166200 -50.5298 -18.3607 -268.428 -71.0427 -615.376 51.7863 -186.925 -23.8148 -130.958 PRESSAVG: 4166200 31.893 -112.308 -20.6432 -112.308 -65.8725 -34.0322 -20.6432 -34.0321 14.2186 GPRESSAVG: 4166200 33.4684 -112.466 -20.9762 -115.287 -66.3598 -33.2734 -18.2412 -32.782 13.2114 TIMING: 4166200 CPU: 13484.1, 0.00313428/step Wall: 13484.1, 0.00313428/step, 0.725933 hours remaining, 236.500000 MB of memory in use. ENERGY: 4166200 3980.5807 20507.0382 14434.7265 255.0990 -203828.8122 2844.7478 0.0000 0.0000 51725.1829 -110081.4370 297.2653 -161806.6199 -109724.6631 298.8769 -289.5021 -265.6211 763225.5194 -6.5870 -6.5600 PRESSURE: 4166400 -27.9799 -130.693 -30.8177 -130.693 -126.347 41.7726 -30.8188 41.772 -481.247 GPRESSURE: 4166400 -60.4929 -78.2046 -7.15992 -9.47392 -47.3759 20.3734 -164.989 6.59317 -465.117 PRESSAVG: 4166400 14.7858 -56.4015 5.63198 -56.4016 45.4633 8.10218 5.632 8.10219 0.72082 GPRESSAVG: 4166400 13.0818 -55.289 4.0087 -55.1332 47.3422 6.20873 6.35014 5.87043 1.50046 TIMING: 4166400 CPU: 13484.8, 0.00313546/step Wall: 13484.8, 0.00313546/step, 0.726032 hours remaining, 236.500000 MB of memory in use. ENERGY: 4166400 4010.7245 20452.1017 14447.9257 265.5947 -203910.3975 2708.0112 0.0000 0.0000 52229.8211 -109796.2186 300.1655 -162026.0397 -109432.8868 298.5488 -211.8577 -190.9953 759825.0295 20.3233 20.6415 PRESSURE: 4166600 19.499 32.7512 92.1961 32.7514 -159.665 101.77 92.1963 101.771 308.664 GPRESSURE: 4166600 12.5786 32.5411 113.553 22.2139 -137.402 169.069 64.6547 -45.9657 355.525 PRESSAVG: 4166600 -7.09854 -44.4534 20.0116 -44.4534 18.5425 5.43988 20.0115 5.43991 -0.93239 GPRESSAVG: 4166600 -6.35084 -46.877 22.0198 -43.0388 17.2646 6.39338 19.9866 7.92985 -0.718469 TIMING: 4166600 CPU: 13485.4, 0.00313864/step Wall: 13485.4, 0.00313864/step, 0.726594 hours remaining, 236.500000 MB of memory in use. ENERGY: 4166600 3946.3874 20547.6335 14385.2921 242.8995 -203684.8979 2727.5193 0.0000 0.0000 52097.4748 -109737.6913 299.4049 -161835.1661 -109369.0917 298.8804 56.1661 76.9007 761261.9702 3.5039 3.3984 PRESSURE: 4166800 73.2741 -89.4797 -67.0975 -89.4787 25.7721 -102.618 -67.0963 -102.617 -41.7552 GPRESSURE: 4166800 86.9649 -24.7729 0.17665 -87.2708 148.817 -103.321 -113.196 -55.4393 -89.94 PRESSAVG: 4166800 27.0692 -35.5167 -6.38144 -35.5166 -40.1665 30.2043 -6.38149 30.2043 15.9161 GPRESSAVG: 4166800 26.4592 -35.3857 -6.00855 -35.6775 -38.7538 29.4482 -8.80656 30.2453 15.4441 TIMING: 4166800 CPU: 13486, 0.00314356/step Wall: 13486, 0.00314356/step, 0.727559 hours remaining, 236.500000 MB of memory in use. ENERGY: 4166800 4007.2104 20697.0544 14416.2209 256.3047 -203316.9151 2592.3600 0.0000 0.0000 51934.3936 -109413.3710 298.4677 -161347.7646 -109044.7940 299.3258 19.0970 48.6141 761139.3785 0.9396 1.0498 PRESSURE: 4167000 -268.266 -170.991 -84.2133 -170.991 302.072 46.2353 -84.2133 46.2348 -197.641 GPRESSURE: 4167000 -198.187 -94.9968 -87.2566 -108.525 312.378 6.93144 -126.72 -5.92101 -195.695 PRESSAVG: 4167000 -33.5186 -50.7545 36.0481 -50.7544 45.9524 -67.9645 36.0481 -67.9646 9.70576 GPRESSAVG: 4167000 -32.3501 -49.5396 35.1786 -51.4505 45.1495 -67.2048 36.6099 -69.0688 9.72252 TIMING: 4167000 CPU: 13486.7, 0.00315154/step Wall: 13486.7, 0.00315154/step, 0.729231 hours remaining, 236.500000 MB of memory in use. ENERGY: 4167000 3984.8539 20656.7811 14415.3093 236.8641 -202979.5209 2270.7694 0.0000 0.0000 52007.7635 -109407.1795 298.8893 -161414.9430 -109045.0481 299.4738 -54.6115 -27.1679 760144.8885 7.3799 7.5073 PRESSURE: 4167200 -401.361 136.1 -191.6 136.099 -106.25 -6.92685 -191.599 -6.92711 207.421 GPRESSURE: 4167200 -215.188 68.2412 -111.954 153.672 -62.152 86.9711 -135.881 -45.0767 55.9598 PRESSAVG: 4167200 -26.3904 -33.9714 38.3302 -33.9715 12.35 -35.0998 38.3302 -35.0998 -12.3166 GPRESSAVG: 4167200 -25.393 -31.8954 39.407 -34.4747 11.6237 -35.6498 39.4848 -34.1697 -11.9294 TIMING: 4167200 CPU: 13487.3, 0.00315941/step Wall: 13487.3, 0.00315941/step, 0.730876 hours remaining, 236.500000 MB of memory in use. ENERGY: 4167200 4094.8219 20548.7359 14440.6616 244.1018 -203096.9350 2416.9032 0.0000 0.0000 51781.0487 -109570.6618 297.5864 -161351.7106 -109204.1241 299.3046 -100.0631 -73.7935 761931.8596 -8.7857 -8.5662 PRESSURE: 4167400 130.923 -117.475 -88.9878 -117.474 67.8428 -177.253 -88.9879 -177.253 162.018 GPRESSURE: 4167400 136.464 -252.173 -81.6715 -227.502 144.98 -129.247 -58.8979 -227.886 162.413 PRESSAVG: 4167400 -13.1612 -46.3126 -48.4974 -46.3126 25.8135 -29.0366 -48.4974 -29.0366 -0.956699 GPRESSAVG: 4167400 -14.3116 -47.1943 -48.1494 -45.7538 27.4142 -28.5828 -48.8381 -30.9205 -2.08144 TIMING: 4167400 CPU: 13487.9, 0.00312714/step Wall: 13487.9, 0.00312714/step, 0.723237 hours remaining, 236.500000 MB of memory in use. ENERGY: 4167400 4020.0521 20521.5290 14482.2638 235.0134 -203669.0742 2650.6125 0.0000 0.0000 52092.2842 -109667.3191 299.3751 -161759.6033 -109302.0059 299.3468 120.2615 147.9524 759755.9406 3.8985 3.6737 PRESSURE: 4167600 -115.078 -75.9316 -11.6627 -75.9314 -405.781 -88.1975 -11.6619 -88.1969 -206.141 GPRESSURE: 4167600 -56.8768 -78.4622 35.5525 -153.132 -432.716 -142.529 -92.2663 -51.2662 -160.488 PRESSAVG: 4167600 -14.5115 -42.9401 -4.12706 -42.9401 7.68744 -14.2597 -4.1271 -14.2597 26.3406 GPRESSAVG: 4167600 -14.1299 -42.775 -5.022 -41.8397 6.86362 -14.6933 -4.2879 -11.6999 26.3096 TIMING: 4167600 CPU: 13488.5, 0.00313658/step Wall: 13488.5, 0.00313658/step, 0.725247 hours remaining, 236.500000 MB of memory in use. ENERGY: 4167600 4012.7840 20532.8287 14440.1649 255.9361 -203440.9532 2224.3354 0.0000 0.0000 52219.5164 -109755.3877 300.1063 -161974.9041 -109385.2735 298.8371 -242.3334 -216.6935 760932.2077 6.5055 6.3478 PRESSURE: 4167800 127.648 -161.479 -136.4 -161.479 70.4807 32.27 -136.399 32.269 216.416 GPRESSURE: 4167800 122.477 -91.995 -78.3552 -67.4685 98.9214 124.919 -26.9711 -53.477 249.533 PRESSAVG: 4167800 -52.1911 -30.6615 -25.25 -30.6615 26.4074 -60.6141 -25.25 -60.614 11.0611 GPRESSAVG: 4167800 -52.7307 -32.8882 -26.4662 -31.1957 26.5647 -60.054 -24.9332 -62.3586 11.911 TIMING: 4167800 CPU: 13489.2, 0.003142/step Wall: 13489.2, 0.003142/step, 0.726327 hours remaining, 236.500000 MB of memory in use. ENERGY: 4167800 3941.9272 20537.1932 14518.6113 246.6980 -203433.4880 2459.5651 0.0000 0.0000 51910.0440 -109819.4492 298.3277 -161729.4932 -109454.8622 298.7652 138.1816 156.9772 761057.0819 -4.9075 -4.7517 PRESSURE: 4168000 -68.6167 -301.736 79.9258 -301.737 24.9662 83.1858 79.9259 83.1853 90.4514 GPRESSURE: 4168000 -61.7725 -343.933 17.6951 -363.678 148.275 153.182 175.635 12.0308 56.9209 PRESSAVG: 4168000 10.3352 -107.323 -22.5116 -107.323 10.9151 -26.4439 -22.5116 -26.444 -6.53603 GPRESSAVG: 4168000 11.659 -105.18 -21.9761 -110.246 8.67038 -27.758 -22.6275 -24.9605 -5.25603 TIMING: 4168000 CPU: 13489.8, 0.00312391/step Wall: 13489.8, 0.00312391/step, 0.72197 hours remaining, 236.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4168000 4045.1231 20560.9185 14453.3723 244.6979 -203652.8043 2667.2064 0.0000 0.0000 51995.5593 -109685.9268 298.8192 -161681.4861 -109327.8684 299.3451 15.6003 47.8077 761035.6661 4.9048 5.0245 PRESSURE: 4168200 106.321 17.5395 124.947 17.5393 -219.992 -22.7283 124.947 -22.7283 303.369 GPRESSURE: 4168200 178.426 53.5596 99.8665 76.741 -215.015 -113.538 239.771 65.4173 309.339 PRESSAVG: 4168200 -31.8222 -113.831 39.9691 -113.831 -11.4773 -43.4431 39.969 -43.4432 11.0914 GPRESSAVG: 4168200 -32.2432 -113.626 38.6863 -112.509 -9.31698 -42.1242 41.6701 -45.5181 9.29461 TIMING: 4168200 CPU: 13490.4, 0.00312212/step Wall: 13490.4, 0.00312212/step, 0.721383 hours remaining, 236.500000 MB of memory in use. ENERGY: 4168200 3958.0031 20536.1564 14489.4717 242.9768 -203779.4555 2798.3873 0.0000 0.0000 52204.8057 -109549.6545 300.0217 -161754.4602 -109176.2684 299.6482 63.2323 90.9170 761617.6913 -10.7360 -10.7552 LDB: ============= START OF LOAD BALANCING ============== 13502.8 LDB: ============== END OF LOAD BALANCING =============== 13502.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13502.8 LDB: ============= START OF LOAD BALANCING ============== 13503.2 LDB: Largest compute 7068 load 0.034922 is 17.9% of average load 0.195588 LDB: Average compute 0.004404 is 2.3% of average load 0.195588 LDB: TIME 13503.2 LOAD: AVG 0.195588 MAX 0.21232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 13503.2 LOAD: AVG 0.195588 MAX 0.21232 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: TIME 13503.2 LOAD: AVG 0.195588 MAX 0.21232 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: ============== END OF LOAD BALANCING =============== 13503.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13503.2 PRESSURE: 4168400 -40.9313 78.541 -172.776 78.5403 183.455 -36.7704 -172.775 -36.7703 116.68 GPRESSURE: 4168400 -18.8785 38.8644 -240.712 120.782 216.445 -55.0022 -255.068 116.316 160.578 PRESSAVG: 4168400 -45.8573 -41.3366 23.4613 -41.3366 60.0963 -33.8546 23.4613 -33.8546 4.73413 GPRESSAVG: 4168400 -45.8022 -42.1713 24.6388 -40.853 59.2939 -34.1834 25.0608 -31.3975 5.84669 TIMING: 4168400 CPU: 13491.1, 0.0031981/step Wall: 13491.1, 0.00319809/step, 0.73876 hours remaining, 234.355469 MB of memory in use. ENERGY: 4168400 4023.3645 20721.5481 14417.0223 236.0509 -203653.3032 2500.2717 0.0000 0.0000 52299.3063 -109455.7392 300.5648 -161755.0456 -109095.7868 299.8113 86.4012 119.3818 760632.6191 6.3244 6.4461 PRESSURE: 4168600 11.8608 65.0317 -11.0741 65.0319 -125.861 -252.666 -11.0737 -252.667 -42.0071 GPRESSURE: 4168600 -16.4899 32.7581 -43.4911 19.4547 7.39188 -212.384 -102.131 -225.569 -49.7822 PRESSAVG: 4168600 -14.1122 -38.5683 -19.2095 -38.5683 13.4115 -6.42766 -19.2095 -6.42776 6.08538 GPRESSAVG: 4168600 -14.981 -37.3462 -18.9017 -37.672 15.2678 -6.79023 -22.3665 -7.07736 5.6861 TIMING: 4168600 CPU: 13491.7, 0.00313476/step Wall: 13491.7, 0.00313476/step, 0.723956 hours remaining, 234.425781 MB of memory in use. ENERGY: 4168600 4016.7459 20521.9058 14440.2098 254.6921 -203355.6328 2451.1241 0.0000 0.0000 52167.5019 -109503.4533 299.8074 -161670.9552 -109136.3657 300.1473 -52.0024 -19.6268 761199.4545 1.7949 1.9910 PRESSURE: 4168800 -454.822 129.203 -197.955 129.203 49.4654 -146.524 -197.955 -146.525 354.793 GPRESSURE: 4168800 -272.569 49.544 -236.336 38.9927 17.5275 -93.6918 -54.5414 -107.021 280.541 PRESSAVG: 4168800 9.6134 -43.8085 -28.081 -43.8085 31.0293 -39.7877 -28.081 -39.7877 -15.4441 GPRESSAVG: 4168800 10.0803 -44.0317 -28.205 -45.8099 30.371 -39.1288 -27.4915 -39.6675 -15.2174 TIMING: 4168800 CPU: 13492.3, 0.00314603/step Wall: 13492.3, 0.00314603/step, 0.726383 hours remaining, 234.425781 MB of memory in use. ENERGY: 4168800 4014.7066 20394.8610 14443.5601 271.6331 -203649.4660 2680.9755 0.0000 0.0000 52306.6328 -109537.0969 300.6069 -161843.7297 -109177.2055 299.6155 -16.8544 8.4999 760708.8966 8.3995 8.4113 PRESSURE: 4169000 -123.305 154.827 76.1421 154.827 -416.02 1.1373 76.1423 1.13799 169.125 GPRESSURE: 4169000 -152.437 168.438 63.1244 56.4606 -320.178 25.4096 22.1555 -58.5513 190.568 PRESSAVG: 4169000 -12.4817 -15.9527 -78.756 -15.9527 -7.67075 -16.6646 -78.756 -16.6647 -4.79416 GPRESSAVG: 4169000 -11.4557 -16.0906 -77.5977 -15.8489 -8.88083 -18.0168 -81.2064 -17.7243 -5.00421 TIMING: 4169000 CPU: 13493, 0.00315939/step Wall: 13493, 0.00315939/step, 0.729293 hours remaining, 234.425781 MB of memory in use. ENERGY: 4169000 4042.6895 20587.9326 14467.4781 258.0755 -203646.5245 2611.7337 0.0000 0.0000 52087.9854 -109590.6298 299.3504 -161678.6152 -109227.6052 299.2108 -123.3998 -94.0153 762555.2807 -8.3155 -8.4469 PRESSURE: 4169200 -220.602 -6.53444 -197.766 -6.53458 41.5025 45.351 -197.766 45.3509 42.4065 GPRESSURE: 4169200 -181.124 -69.5151 -63.2523 -131.879 79.2033 -33.8257 -18.0807 96.4725 43.8593 PRESSAVG: 4169200 -13.6335 -41.703 -2.17293 -41.703 51.6664 34.6993 -2.17295 34.6992 20.6568 GPRESSAVG: 4169200 -13.3779 -41.1944 -2.84031 -41.8936 51.9777 37.371 -0.236387 34.9834 19.8484 TIMING: 4169200 CPU: 13493.6, 0.00312775/step Wall: 13493.6, 0.00312775/step, 0.721815 hours remaining, 234.425781 MB of memory in use. ENERGY: 4169200 4000.2371 20525.5413 14496.9400 260.9125 -203513.3733 2638.0023 0.0000 0.0000 52179.0672 -109412.6730 299.8738 -161591.7402 -109048.8750 299.2342 -45.5645 -19.3539 761591.1617 19.5632 19.4827 PRESSURE: 4169400 318.901 138.322 133.904 138.322 150.59 -65.8471 133.904 -65.8473 125.972 GPRESSURE: 4169400 302.483 107.171 119.263 164.615 270.648 -91.6386 138.688 4.43117 101.035 PRESSAVG: 4169400 -6.49063 -38.8071 5.60535 -38.8071 -10.4578 5.47665 5.60544 5.47659 -11.8664 GPRESSAVG: 4169400 -7.72708 -41.745 4.83044 -37.4184 -9.91098 4.15446 6.41994 6.5735 -11.3406 TIMING: 4169400 CPU: 13494.2, 0.00311851/step Wall: 13494.2, 0.00311851/step, 0.719511 hours remaining, 234.425781 MB of memory in use. ENERGY: 4169400 3994.8593 20454.5032 14475.8381 242.7376 -203718.8864 2593.7419 0.0000 0.0000 52161.8024 -109795.4039 299.7746 -161957.2063 -109429.0663 299.2038 198.4875 224.7221 760154.8708 -9.6050 -9.6595 PRESSURE: 4169600 -225.041 2.52277 169.303 2.52206 22.3905 -152.994 169.303 -152.993 10.6222 GPRESSURE: 4169600 -152.073 50.3124 104.476 -37.7984 -56.7655 -252.082 -48.0424 -32.0288 104.754 PRESSAVG: 4169600 -57.8407 -61.1392 9.65557 -61.1393 6.94216 -18.034 9.65555 -18.0339 -25.9569 GPRESSAVG: 4169600 -57.845 -58.1815 11.1254 -61.3582 6.24318 -18.4408 8.53929 -17.1668 -25.0654 TIMING: 4169600 CPU: 13494.8, 0.00312579/step Wall: 13494.8, 0.00312579/step, 0.721016 hours remaining, 234.425781 MB of memory in use. ENERGY: 4169600 3953.7430 20693.9052 14461.4342 275.7134 -203766.6312 2586.3095 0.0000 0.0000 51971.7671 -109823.7588 298.6825 -161795.5258 -109468.6071 299.0126 -64.0096 -34.6949 760902.9458 -25.6185 -25.5557 PRESSURE: 4169800 21.4736 -200.617 33.6963 -200.616 -117.994 -34.5395 33.696 -34.5391 -82.5268 GPRESSURE: 4169800 53.8322 -176.472 -33.7033 -216.38 -140.919 22.6769 -40.5008 51.3084 -22.6513 PRESSAVG: 4169800 3.45269 -31.5862 -32.1465 -31.5861 -27.3029 -49.5786 -32.1465 -49.5786 21.2234 GPRESSAVG: 4169800 2.46811 -32.2476 -32.5477 -32.7531 -27.0647 -48.7703 -32.229 -50.5717 21.731 TIMING: 4169800 CPU: 13495.5, 0.00312934/step Wall: 13495.5, 0.00312934/step, 0.721661 hours remaining, 234.425781 MB of memory in use. ENERGY: 4169800 4019.5406 20501.3633 14467.5300 226.0772 -203875.6404 2748.2818 0.0000 0.0000 51938.0997 -109974.7479 298.4890 -161912.8475 -109597.3255 298.9471 -59.6824 -36.5792 760172.2309 -0.8756 -0.9552 PRESSURE: 4170000 -254.856 84.4509 143.726 84.4521 -202.269 -1.9817 143.727 -1.98302 -22.8728 GPRESSURE: 4170000 -198.404 -0.772429 83.0555 3.2799 -224.134 17.8906 98.0395 -18.7445 37.4179 PRESSAVG: 4170000 61.7142 -17.0047 -38.8816 -17.0047 -38.6013 -71.6339 -38.8815 -71.6339 4.43613 GPRESSAVG: 4170000 62.9997 -16.5516 -40.1907 -16.38 -38.3239 -71.4166 -38.3235 -73.7861 3.19257 TIMING: 4170000 CPU: 13496.1, 0.00311208/step Wall: 13496.1, 0.00311208/step, 0.717506 hours remaining, 234.425781 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: 4170000 4054.6220 20536.8135 14443.3267 232.6611 -203660.6132 2259.9410 0.0000 0.0000 52420.9984 -109712.2505 301.2642 -162133.2489 -109346.2028 298.9111 -159.9993 -128.3732 761052.7664 9.1830 9.2894 PRESSURE: 4170200 -270.487 43.8019 193.731 43.8013 -207.864 22.0483 193.731 22.0476 -98.6103 GPRESSURE: 4170200 -295.401 66.3023 160.173 62.5911 -118.233 32.2118 62.7039 60.4975 -88.9548 PRESSAVG: 4170200 -31.5101 6.70801 12.4313 6.70805 12.0603 -32.6362 12.4314 -32.6362 10.5699 GPRESSAVG: 4170200 -32.077 4.90048 11.8641 7.65577 12.5397 -33.7244 12.614 -31.9887 10.9302 TIMING: 4170200 CPU: 13496.7, 0.00313344/step Wall: 13496.7, 0.00313344/step, 0.722258 hours remaining, 234.425781 MB of memory in use. ENERGY: 4170200 3957.8713 20698.4122 14519.9677 260.9183 -203501.6845 2315.2078 0.0000 0.0000 52136.4528 -109612.8544 299.6289 -161749.3072 -109250.6561 299.4302 -192.3203 -167.5295 760651.6279 -2.9600 -2.8690 PRESSURE: 4170400 -48.5655 28.1326 -270.527 28.1336 -430.864 -58.3657 -270.526 -58.3675 176.801 GPRESSURE: 4170400 -73.238 -0.0430247 -225.722 -12.288 -375.802 -62.5705 -316.28 80.2063 221.88 PRESSAVG: 4170400 -12.224 31.4306 -11.7166 31.4307 18.9147 -19.1677 -11.7165 -19.1678 -9.03941 GPRESSAVG: 4170400 -12.241 32.0417 -9.70791 28.56 19.0323 -18.6108 -12.6963 -16.9296 -8.86283 TIMING: 4170400 CPU: 13497.3, 0.00310777/step Wall: 13497.3, 0.00310777/step, 0.716168 hours remaining, 234.425781 MB of memory in use. ENERGY: 4170400 3976.2164 20580.4008 14480.1262 254.9372 -203654.2088 2497.6913 0.0000 0.0000 52230.8254 -109634.0115 300.1713 -161864.8369 -109270.4517 299.1911 -100.8763 -75.7199 759682.7634 -0.7829 -0.6905 PRESSURE: 4170600 -325.811 -240.379 -181.666 -240.378 -264.36 -77.3686 -181.665 -77.3693 -45.0771 GPRESSURE: 4170600 -282.132 -307.485 -137.816 -203.485 -244.276 -75.1191 -173.145 -6.50112 -5.75947 PRESSAVG: 4170600 -3.31997 8.13569 -15.5163 8.13567 -6.37834 -10.8534 -15.5162 -10.8533 -28.1806 GPRESSAVG: 4170600 -4.08795 9.91368 -16.5266 10.2362 -6.57765 -10.9858 -16.6816 -11.9096 -27.3332 TIMING: 4170600 CPU: 13497.9, 0.00313149/step Wall: 13497.9, 0.00313149/step, 0.721461 hours remaining, 234.425781 MB of memory in use. ENERGY: 4170600 3950.0684 20691.0933 14494.6896 240.6404 -203095.5256 2327.2688 0.0000 0.0000 51831.6104 -109560.1546 297.8770 -161391.7650 -109203.6516 299.6584 -211.7494 -177.3889 762683.8666 -12.6263 -12.6663 PRESSURE: 4170800 -222.545 163.895 -91.7437 163.896 10.9341 -101.42 -91.7434 -101.419 -395.383 GPRESSURE: 4170800 -164.445 18.8141 -4.29626 121.453 44.5464 -120.72 17.5691 -206.551 -409.466 PRESSAVG: 4170800 14.3862 -16.6452 -35.4351 -16.6453 -31.792 6.75723 -35.435 6.75721 12.0809 GPRESSAVG: 4170800 16.1237 -18.7337 -34.0791 -17.2481 -33.1665 5.93322 -33.2045 6.82534 11.8784 TIMING: 4170800 CPU: 13498.6, 0.00313162/step Wall: 13498.6, 0.00313162/step, 0.721318 hours remaining, 234.425781 MB of memory in use. ENERGY: 4170800 4066.3380 20542.9554 14519.3799 263.2284 -203150.6159 2315.0109 0.0000 0.0000 51727.4904 -109716.2129 297.2786 -161443.7033 -109352.2033 298.6666 -202.3313 -176.4550 762579.2487 -1.7749 -1.7215 PRESSURE: 4171000 -89.1471 3.85438 -96.1101 3.85508 -150.152 221.429 -96.1103 221.427 230.414 GPRESSURE: 4171000 -1.31162 36.7569 -135.285 -69.2761 -145.727 150.719 177.619 57.1601 230.748 PRESSAVG: 4171000 47.7075 -58.3938 5.33605 -58.3938 -32.7691 18.6413 5.33594 18.6414 -7.9365 GPRESSAVG: 4171000 47.8279 -58.1834 3.70514 -60.682 -32.5206 18.3077 8.26731 18.2351 -8.4744 TIMING: 4171000 CPU: 13499.2, 0.00312468/step Wall: 13499.2, 0.00312468/step, 0.719543 hours remaining, 234.425781 MB of memory in use. ENERGY: 4171000 3936.8304 20539.0571 14460.2595 248.1580 -203325.0221 2469.1052 0.0000 0.0000 52215.5716 -109456.0404 300.0836 -161671.6120 -109097.4887 299.4658 -2.9617 27.9034 762655.8855 2.3340 2.2776 PRESSURE: 4171200 -11.7437 72.5604 -99.4491 72.5599 70.066 -62.4524 -99.4485 -62.4544 -41.2321 GPRESSURE: 4171200 7.17471 69.702 -74.4325 34.1625 109.222 13.4214 -236.775 -75.8597 -19.5547 PRESSAVG: 4171200 12.4739 -81.6827 -28.0783 -81.6827 12.2259 19.8953 -28.0782 19.8952 -1.07161 GPRESSAVG: 4171200 11.731 -81.0079 -26.5247 -80.7123 13.3817 20.783 -31.5706 18.2884 -1.50451 TIMING: 4171200 CPU: 13499.8, 0.00312514/step Wall: 13499.8, 0.00312514/step, 0.719477 hours remaining, 234.425781 MB of memory in use. ENERGY: 4171200 3888.9060 20610.7082 14492.7511 255.7217 -202950.4603 2223.1230 0.0000 0.0000 52100.4516 -109378.7986 299.4220 -161479.2502 -109010.6505 299.3533 5.6967 32.2805 761765.8892 7.8761 7.8694 PRESSURE: 4171400 -280.76 -86.473 -94.0458 -86.4739 165.803 -21.5798 -94.0464 -21.5799 -387.913 GPRESSURE: 4171400 -150.908 -62.1316 -28.5166 -134.906 103.192 -67.2412 -72.0689 55.3784 -383.183 PRESSAVG: 4171400 62.3222 -4.59227 9.43605 -4.59231 -51.2253 -16.1668 9.43607 -16.1668 12.05 GPRESSAVG: 4171400 62.1631 -3.1124 7.35297 -3.62583 -51.5459 -17.0999 9.01353 -12.3154 12.5061 TIMING: 4171400 CPU: 13500.4, 0.00312487/step Wall: 13500.4, 0.00312487/step, 0.719242 hours remaining, 234.425781 MB of memory in use. ENERGY: 4171400 4000.0731 20567.0017 14480.0021 237.8830 -203045.2728 2235.6786 0.0000 0.0000 52181.3856 -109343.2487 299.8871 -161524.6343 -108979.0033 299.6226 -167.6235 -143.6332 760878.6890 7.7156 7.7078 PRESSURE: 4171600 30.2175 73.4312 -146.58 73.4304 -155.873 0.420349 -146.579 0.420654 384.385 GPRESSURE: 4171600 93.3243 11.1448 -35.8122 33.0133 -50.9419 -85.1639 -171.677 77.4531 324.161 PRESSAVG: 4171600 -37.7914 -44.7887 -16.3407 -44.7887 16.3929 12.5301 -16.3407 12.53 0.800782 GPRESSAVG: 4171600 -36.7333 -47.1998 -14.5348 -44.7243 16.2851 12.5568 -16.1182 11.7914 1.01937 TIMING: 4171600 CPU: 13501.1, 0.00315819/step Wall: 13501.1, 0.00315819/step, 0.726735 hours remaining, 234.425781 MB of memory in use. ENERGY: 4171600 4006.5384 20684.2737 14509.8298 252.7375 -203360.3013 2449.3413 0.0000 0.0000 52191.8845 -109265.6962 299.9475 -161457.5806 -108904.2061 300.2528 86.2431 122.1810 760335.2023 -6.8659 -6.4763 PRESSURE: 4171800 -157.185 -301.191 -74.2603 -301.19 213.211 -27.8342 -74.2596 -27.8333 -170.942 GPRESSURE: 4171800 -172.603 -330.358 -42.5463 -181.439 202.478 -15.6242 -41.4824 -80.8351 -67.9443 PRESSAVG: 4171800 -46.5053 -94.5587 -10.768 -94.5587 68.6466 -35.8959 -10.768 -35.896 -7.18605 GPRESSAVG: 4171800 -46.0113 -92.7062 -11.4301 -94.3529 68.1302 -36.0132 -9.9452 -35.6315 -7.21324 TIMING: 4171800 CPU: 13501.7, 0.00312426/step Wall: 13501.7, 0.00312426/step, 0.718754 hours remaining, 234.425781 MB of memory in use. ENERGY: 4171800 3984.6771 20592.2379 14448.7058 226.5901 -203309.7389 2577.1758 0.0000 0.0000 52165.8111 -109314.5411 299.7976 -161480.3522 -108952.2395 300.0706 -38.3053 -12.6895 762108.6408 4.9851 4.9685 PRESSURE: 4172000 -107.583 -160.507 131.755 -160.507 196.332 163.69 131.755 163.691 -97.0709 GPRESSURE: 4172000 -36.2843 -43.7872 170.595 -114.741 200.601 146.591 78.493 202.701 -96.0123 PRESSAVG: 4172000 18.1249 5.6833 -24.8904 5.68331 15.5242 -46.2687 -24.8904 -46.2687 -14.6382 GPRESSAVG: 4172000 16.2838 2.91603 -25.6612 6.33448 15.6327 -45.8491 -25.386 -49.3405 -13.0513 TIMING: 4172000 CPU: 13502.3, 0.00313457/step Wall: 13502.3, 0.00313457/step, 0.720951 hours remaining, 234.425781 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: 4172000 3968.5987 20546.2559 14550.1740 255.2407 -203691.3610 2790.5545 0.0000 0.0000 52194.5551 -109385.9820 299.9628 -161580.5372 -109022.2611 299.4683 -2.7740 22.7680 761666.0348 6.3370 6.2884 PRESSURE: 4172200 -185.809 -296.904 115.503 -296.904 -90.3727 274.762 115.503 274.76 -225.205 GPRESSURE: 4172200 -91.9062 -215.956 148.554 -335.348 -112.91 367.157 12.1275 157.437 -181.401 PRESSAVG: 4172200 -60.3579 -38.1876 25.7212 -38.1876 31.1899 7.52902 25.7211 7.529 -9.85867 GPRESSAVG: 4172200 -59.1547 -37.16 26.6296 -39.8008 31.8276 8.29487 24.8339 7.6993 -11.5887 TIMING: 4172200 CPU: 13503, 0.00313326/step Wall: 13503, 0.00313326/step, 0.720476 hours remaining, 234.425781 MB of memory in use. ENERGY: 4172200 3997.7923 20519.0217 14520.4585 246.5050 -203131.9155 2376.5749 0.0000 0.0000 52132.6223 -109338.9406 299.6069 -161471.5629 -108968.6323 299.3830 -167.1288 -128.7388 759943.7308 -13.0089 -12.9719 LDB: ============= START OF LOAD BALANCING ============== 13515.4 LDB: ============== END OF LOAD BALANCING =============== 13515.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13515.4 LDB: ============= START OF LOAD BALANCING ============== 13515.7 LDB: Largest compute 7059 load 0.034900 is 17.8% of average load 0.195646 LDB: Average compute 0.004397 is 2.2% of average load 0.195646 LDB: TIME 13515.7 LOAD: AVG 0.195646 MAX 0.213666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.355 MB LDB: TIME 13515.7 LOAD: AVG 0.195646 MAX 0.213666 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: TIME 13515.7 LOAD: AVG 0.195646 MAX 0.213666 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: ============== END OF LOAD BALANCING =============== 13515.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13515.7 PRESSURE: 4172400 -34.9855 -11.6359 12.2984 -11.6359 -176.044 -129.424 12.2991 -129.424 -604.202 GPRESSURE: 4172400 -4.09426 2.78074 25.8106 9.73429 -105.762 -163.338 -10.0754 -91.5411 -593.771 PRESSAVG: 4172400 -8.80373 -47.1865 10.1617 -47.1865 26.0736 34.4967 10.1617 34.4967 4.65167 GPRESSAVG: 4172400 -8.34335 -48.5853 8.48288 -45.1689 25.2348 33.9002 10.4516 34.2709 4.7378 TIMING: 4172400 CPU: 13503.6, 0.00319893/step Wall: 13503.6, 0.00319893/step, 0.735398 hours remaining, 234.609375 MB of memory in use. ENERGY: 4172400 4045.6063 20484.6356 14480.6503 271.1913 -203232.8157 2371.8969 0.0000 0.0000 52096.6505 -109482.1848 299.4002 -161578.8352 -109111.3326 299.6296 -271.7436 -234.5423 760275.1587 7.3072 7.2097 PRESSURE: 4172600 -123.503 -213.294 -197.213 -213.294 -511.747 3.17051 -197.212 3.17118 13.4276 GPRESSURE: 4172600 -220.051 -75.7964 -90.0571 -160.273 -324.593 11.8715 -151.021 90.6863 13.6365 PRESSAVG: 4172600 22.5628 -13.1438 2.17279 -13.1439 -25.5313 32.0769 2.17274 32.0769 -5.61755 GPRESSAVG: 4172600 22.1918 -10.9821 1.62306 -15.1423 -25.1188 32.2985 4.67377 34.2609 -5.98487 TIMING: 4172600 CPU: 13504.2, 0.00312187/step Wall: 13504.2, 0.00312187/step, 0.717511 hours remaining, 234.812500 MB of memory in use. ENERGY: 4172600 3937.5181 20647.4842 14428.7517 235.3826 -203221.7917 2515.6729 0.0000 0.0000 52182.4658 -109274.5164 299.8933 -161456.9822 -108914.9547 300.0438 -207.2743 -177.0024 760817.8413 -2.8620 -2.9706 PRESSURE: 4172800 -26.6264 60.9355 -86.6344 60.9353 -241.338 19.9766 -86.635 19.9775 -20.1415 GPRESSURE: 4172800 -16.1049 31.5469 -35.233 -9.9082 -206.476 -45.3666 -172.028 -58.6006 22.2088 PRESSAVG: 4172800 15.3661 -65.6099 3.4646 -65.6099 -1.7102 37.8133 3.46464 37.8133 9.23038 GPRESSAVG: 4172800 15.5666 -66.1541 4.74667 -65.7281 -1.38413 36.9342 1.24909 36.6887 8.51001 TIMING: 4172800 CPU: 13504.8, 0.00310927/step Wall: 13504.8, 0.00310927/step, 0.714442 hours remaining, 234.812500 MB of memory in use. ENERGY: 4172800 4028.2604 20544.7009 14441.1815 248.3737 -203192.9272 2541.7055 0.0000 0.0000 52048.5159 -109340.1893 299.1235 -161388.7052 -108967.0357 299.1428 -96.0352 -66.7907 760429.7113 7.6287 7.5642 PRESSURE: 4173000 -222.991 150.119 106.885 150.119 -138.806 131.286 106.885 131.284 -146.355 GPRESSURE: 4173000 -154.799 126.816 58.7094 111.506 -133.056 152.923 29.8856 -40.8048 -133.056 PRESSAVG: 4173000 14.9875 -86.545 46.9528 -86.5451 12.3533 37.8374 46.9528 37.8374 3.72708 GPRESSAVG: 4173000 14.9669 -87.7763 47.7599 -85.044 10.5274 36.8207 48.1591 36.7733 5.2157 TIMING: 4173000 CPU: 13505.5, 0.00311154/step Wall: 13505.5, 0.00311154/step, 0.714789 hours remaining, 234.898438 MB of memory in use. ENERGY: 4173000 4065.1527 20325.4864 14478.0883 236.6958 -203257.7541 2535.3337 0.0000 0.0000 52038.5053 -109578.4920 299.0660 -161616.9973 -109218.0156 299.1921 -169.3840 -140.3036 759417.5821 10.3559 10.2367 PRESSURE: 4173200 -226.761 -63.4947 86.2172 -63.4945 -240.757 -175.289 86.2174 -175.288 3.6863 GPRESSURE: 4173200 -201.107 -104.397 62.5097 -12.8789 -164.661 -169.003 49.4379 -262.671 5.41094 PRESSAVG: 4173200 -34.2091 -64.8424 -2.20873 -64.8424 -13.5942 47.6587 -2.20875 47.6587 19.6612 GPRESSAVG: 4173200 -34.4397 -63.7504 -2.57385 -65.3269 -12.0019 48.7894 -3.38193 49.9681 18.5808 TIMING: 4173200 CPU: 13506.1, 0.00310904/step Wall: 13506.1, 0.00310904/step, 0.714044 hours remaining, 234.898438 MB of memory in use. ENERGY: 4173200 3958.6632 20627.5145 14482.2376 233.1738 -203570.1856 2538.8025 0.0000 0.0000 52099.5792 -109630.2148 299.4170 -161729.7940 -109266.1890 299.1360 -154.6104 -120.1188 761155.6459 -9.3807 -9.2869 PRESSURE: 4173400 6.49514 -128.115 32.0917 -128.115 75.5443 -125.507 32.0919 -125.507 287.372 GPRESSURE: 4173400 99.0698 -52.846 -63.153 -162.803 66.1382 -64.4354 120.689 -158.865 318.023 PRESSAVG: 4173400 -30.7836 -16.4437 -4.12734 -16.4437 31.6357 -15.7241 -4.12727 -15.7241 -4.79905 GPRESSAVG: 4173400 -30.0574 -13.8858 -4.01169 -17.1123 32.3673 -15.0214 -2.73916 -18.6234 -5.4651 TIMING: 4173400 CPU: 13506.7, 0.00311315/step Wall: 13506.7, 0.00311315/step, 0.714815 hours remaining, 234.898438 MB of memory in use. ENERGY: 4173400 3987.7696 20651.9524 14512.2654 267.2929 -203731.8055 2713.4649 0.0000 0.0000 51910.5561 -109688.5043 298.3307 -161599.0603 -109325.8316 299.1352 123.1371 161.0770 759847.1677 -1.3156 -1.0517 PRESSURE: 4173600 9.71382 -106.424 30.1402 -106.423 34.0206 -74.2867 30.1409 -74.2861 -2.80645 GPRESSURE: 4173600 76.5261 -157.054 -66.9674 -64.6 36.7518 26.1743 51.0135 -188.023 -11.589 PRESSAVG: 4173600 -10.5335 0.231167 -27.2762 0.231177 18.3278 6.97541 -27.2762 6.97541 7.28306 GPRESSAVG: 4173600 -9.95232 -3.3955 -27.5176 3.57084 16.218 7.77635 -26.8775 8.75235 8.58518 TIMING: 4173600 CPU: 13507.3, 0.00312847/step Wall: 13507.3, 0.00312847/step, 0.718157 hours remaining, 234.898438 MB of memory in use. ENERGY: 4173600 4031.9826 20382.3631 14427.9480 250.1436 -203650.1757 2705.2498 0.0000 0.0000 52092.5902 -109759.8984 299.3768 -161852.4886 -109397.6888 298.8358 13.6427 33.8963 760405.5807 5.0258 4.9503 PRESSURE: 4173800 115.041 -110.534 112.017 -110.536 -374.909 -99.3786 112.015 -99.3798 -431.802 GPRESSURE: 4173800 95.4848 -89.5333 165.726 -100.6 -320.193 -44.6467 41.8252 -212.998 -400.526 PRESSAVG: 4173800 1.33698 -26.3844 -32.9805 -26.3843 -19.5435 -2.37297 -32.9806 -2.37302 0.743025 GPRESSAVG: 4173800 0.651811 -26.64 -33.8902 -28.9939 -19.0935 -3.02878 -32.4774 -3.41531 1.27102 TIMING: 4173800 CPU: 13508, 0.00313806/step Wall: 13508, 0.00313806/step, 0.720184 hours remaining, 234.898438 MB of memory in use. ENERGY: 4173800 4019.2140 20452.2128 14493.0229 243.3583 -203760.3830 2521.4120 0.0000 0.0000 52109.5283 -109921.6347 299.4742 -162031.1630 -109561.3593 298.7719 -230.5569 -208.4116 759878.7737 -5.8212 -5.7236 PRESSURE: 4174000 -69.3287 140.633 2.01933 140.633 -348.845 -70.3922 2.01856 -70.3924 48.3685 GPRESSURE: 4174000 -101.655 85.5196 174.357 79.5298 -178.578 -73.2416 -40.2115 -6.62894 1.46263 PRESSAVG: 4174000 68.8671 -34.8016 25.0071 -34.8016 -90.9389 -50.7495 25.0071 -50.7495 -11.4883 GPRESSAVG: 4174000 67.6424 -32.683 26.269 -33.0781 -89.8974 -51.9521 22.4586 -49.798 -11.3593 TIMING: 4174000 CPU: 13508.6, 0.00312667/step Wall: 13508.6, 0.00312667/step, 0.717397 hours remaining, 234.898438 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: 4174000 4040.0976 20647.7894 14509.2686 232.0405 -203619.7177 2426.7926 0.0000 0.0000 52028.5472 -109735.1819 299.0088 -161763.7290 -109370.0226 298.6879 -123.2685 -92.9235 760307.5370 -11.1867 -11.2048 PRESSURE: 4174200 -12.7677 68.4276 -97.8239 68.4283 340.104 191.82 -97.8237 191.821 -191.058 GPRESSURE: 4174200 194.016 49.5094 -108.777 -81.5254 230.539 138.472 -85.7839 196.792 -174.55 PRESSAVG: 4174200 80.6769 39.6335 5.49807 39.6335 -79.2433 -53.8896 5.4981 -53.8897 19.0114 GPRESSAVG: 4174200 82.2173 38.9659 4.73148 38.7693 -80.0509 -53.8487 6.66008 -53.1946 17.7649 TIMING: 4174200 CPU: 13509.2, 0.00311113/step Wall: 13509.2, 0.00311113/step, 0.713658 hours remaining, 234.898438 MB of memory in use. ENERGY: 4174200 4019.7171 20587.4811 14433.7448 249.1585 -203913.6284 2866.3698 0.0000 0.0000 52156.6767 -109600.4805 299.7451 -161757.1572 -109244.9890 299.2616 45.4262 83.3352 761054.8338 6.8150 6.6438 PRESSURE: 4174400 102.944 -158.152 -150.048 -158.151 101.588 387.319 -150.048 387.319 275.753 GPRESSURE: 4174400 212.92 -124.222 -203.643 -150.269 92.6943 372.352 -82.9208 341.166 258.627 PRESSAVG: 4174400 27.4373 -24.7342 -29.6261 -24.7341 -19.7467 24.1903 -29.626 24.1904 4.13799 GPRESSAVG: 4174400 27.3738 -23.7545 -29.4903 -27.6567 -19.6584 23.6101 -30.2326 20.3946 4.37565 TIMING: 4174400 CPU: 13509.8, 0.00311375/step Wall: 13509.8, 0.00311375/step, 0.714088 hours remaining, 234.898438 MB of memory in use. ENERGY: 4174400 4023.1635 20662.1260 14511.3589 246.9923 -203688.5840 2926.0322 0.0000 0.0000 52027.2657 -109291.6454 299.0014 -161318.9111 -108931.7870 299.0924 160.0952 188.0802 760289.7902 3.9429 4.0304 PRESSURE: 4174600 71.7584 -192.715 182.537 -192.715 -143.073 -183.016 182.537 -183.017 -152.634 GPRESSURE: 4174600 128.925 -166.35 146.765 -242.464 -57.9597 -135.942 163.918 -88.8776 -195.309 PRESSAVG: 4174600 58.1137 -17.1562 -33.3985 -17.1562 -35.8632 42.1361 -33.3985 42.1362 -15.5526 GPRESSAVG: 4174600 56.3757 -17.3833 -33.3276 -15.951 -35.4507 41.0798 -33.6979 45.8017 -14.8414 TIMING: 4174600 CPU: 13510.5, 0.00311676/step Wall: 13510.5, 0.00311676/step, 0.714603 hours remaining, 234.898438 MB of memory in use. ENERGY: 4174600 4000.9833 20469.5980 14532.7600 242.4514 -203458.7465 2721.8809 0.0000 0.0000 52292.1000 -109198.9728 300.5234 -161491.0729 -108834.8624 299.4868 -74.6495 -41.4479 761368.2364 2.2326 2.0279 PRESSURE: 4174800 -393.454 -205.095 -270.748 -205.095 39.1251 54.3477 -270.748 54.3471 162.116 GPRESSURE: 4174800 -301.831 -70.1637 -267.022 -130.644 70.3141 16.0567 -332.541 61.229 144.262 PRESSAVG: 4174800 -31.7263 -23.7321 -6.67654 -23.7321 24.3081 -37.8416 -6.67652 -37.8417 10.5171 GPRESSAVG: 4174800 -30.8891 -25.6096 -8.67564 -20.1072 24.5507 -36.314 -6.32163 -39.6024 8.86566 TIMING: 4174800 CPU: 13511.1, 0.00312487/step Wall: 13511.1, 0.00312487/step, 0.716289 hours remaining, 234.898438 MB of memory in use. ENERGY: 4174800 4040.1797 20629.4616 14423.9183 244.5581 -203038.6492 2457.5213 0.0000 0.0000 52000.2034 -109242.8067 298.8459 -161243.0101 -108881.3432 299.5927 -64.0710 -29.0848 760914.7514 1.0329 0.8424 PRESSURE: 4175000 -200.235 -305.637 57.5296 -305.637 -321.617 254.417 57.5294 254.418 -229.295 GPRESSURE: 4175000 -234.049 -364.275 101.741 -219.531 -242.329 166.811 -168.787 -31.0264 -189.625 PRESSAVG: 4175000 55.4207 -33.3003 9.29535 -33.3003 -42.3212 15.6341 9.29532 15.6341 -8.48647 GPRESSAVG: 4175000 54.853 -34.4141 9.8566 -34.2652 -41.9947 14.9255 10.9907 14.7154 -8.5776 TIMING: 4175000 CPU: 13511.7, 0.00311455/step Wall: 13511.7, 0.00311455/step, 0.713751 hours remaining, 234.898438 MB of memory in use. ENERGY: 4175000 4064.0420 20557.8566 14509.1041 250.0773 -203015.8843 2309.5046 0.0000 0.0000 52295.9021 -109029.3977 300.5453 -161325.2998 -108663.7389 300.1613 -250.3824 -222.0012 760076.9057 1.5377 1.4269 PRESSURE: 4175200 -36.4653 148.25 183.418 148.25 155.161 -17.772 183.418 -17.7729 -341.211 GPRESSURE: 4175200 5.726 28.5035 60.6632 171.554 159.282 -18.8218 117.195 8.08987 -323.846 PRESSAVG: 4175200 25.0082 -27.0026 20.0986 -27.0026 28.5326 -22.1824 20.0985 -22.1824 1.23577 GPRESSAVG: 4175200 24.4112 -24.1189 20.0669 -28.748 27.3113 -19.4219 20.1477 -21.9087 2.43654 TIMING: 4175200 CPU: 13512.3, 0.00312051/step Wall: 13512.3, 0.00312051/step, 0.714944 hours remaining, 234.898438 MB of memory in use. ENERGY: 4175200 3956.5782 20628.3634 14477.8991 269.6518 -203506.0129 2704.6791 0.0000 0.0000 52169.0943 -109299.7470 299.8165 -161468.8413 -108945.7418 300.0231 -74.1717 -52.9459 760029.8225 18.2589 18.0530 PRESSURE: 4175400 161.84 -153.938 151.511 -153.938 -81.5542 -97.3326 151.512 -97.333 -161.182 GPRESSURE: 4175400 140.601 -116.404 169.793 -131.854 44.1761 -132.015 263.667 -84.2688 -175.579 PRESSAVG: 4175400 28.2873 -67.8346 71.471 -67.8346 -49.5535 -10.2303 71.471 -10.2303 7.73157 GPRESSAVG: 4175400 28.1476 -69.9818 72.0363 -66.4593 -48.7469 -11.9173 71.4479 -7.51022 7.4072 TIMING: 4175400 CPU: 13513, 0.00312719/step Wall: 13513, 0.00312719/step, 0.716299 hours remaining, 234.898438 MB of memory in use. ENERGY: 4175400 3951.1942 20523.8049 14498.0330 241.5373 -203305.9663 2618.0785 0.0000 0.0000 52180.2627 -109293.0558 299.8807 -161473.3184 -108923.5626 299.3552 -26.9655 3.0662 762504.6528 -4.5115 -4.3974 PRESSURE: 4175600 40.9647 -469.444 135.516 -469.444 -172.29 56.0737 135.516 56.0736 -49.358 GPRESSURE: 4175600 -75.6173 -302.003 104.882 -383.46 4.12922 157.347 255.08 116.97 -46.5664 PRESSAVG: 4175600 7.14675 -54.2346 20.0352 -54.2347 49.8299 -43.6695 20.0352 -43.6696 11.0147 GPRESSAVG: 4175600 7.31185 -52.7512 19.77 -54.4513 49.9906 -41.6387 19.4017 -45.7993 10.2108 TIMING: 4175600 CPU: 13513.6, 0.00311296/step Wall: 13513.6, 0.00311296/step, 0.712868 hours remaining, 234.898438 MB of memory in use. ENERGY: 4175600 4040.5795 20650.3002 14484.1721 265.2036 -203361.4923 2455.4263 0.0000 0.0000 52141.0507 -109324.7599 299.6553 -161465.8106 -108960.6498 299.6721 -60.2279 -39.3515 762505.0898 22.6638 22.5044 PRESSURE: 4175800 151.541 71.696 -58.2572 71.6969 191.624 87.9193 -58.2577 87.9189 -461.174 GPRESSURE: 4175800 244.351 -24.8293 101.906 88.423 179.055 157.958 -179.978 93.5015 -455.342 PRESSAVG: 4175800 17.2898 -39.5509 54.0197 -39.5509 -2.09298 -29.1175 54.0198 -29.1175 12.9717 GPRESSAVG: 4175800 18.1606 -38.433 54.2885 -41.5618 -3.29939 -31.2183 55.5674 -27.3712 12.9899 TIMING: 4175800 CPU: 13514.2, 0.00312702/step Wall: 13514.2, 0.00312702/step, 0.715914 hours remaining, 234.898438 MB of memory in use. ENERGY: 4175800 3972.2880 20599.9638 14499.1329 249.5382 -203682.0813 2673.6697 0.0000 0.0000 52101.2317 -109586.2571 299.4265 -161687.4888 -109226.4397 299.1151 -39.3366 -10.6450 761513.7665 9.3895 9.2837 PRESSURE: 4176000 109.514 -19.0911 64.3212 -19.0907 -70.1208 -319.294 64.3204 -319.295 218.436 GPRESSURE: 4176000 152.961 1.60137 35.4465 16.3384 -6.04159 -286.552 50.7574 -282.624 187.401 PRESSAVG: 4176000 41.3425 -15.398 -0.703268 -15.3979 -14.7198 -36.3192 -0.703214 -36.3192 4.90827 GPRESSAVG: 4176000 41.4231 -16.5988 0.140261 -14.2184 -15.3782 -36.6336 -2.98449 -37.7213 4.97051 TIMING: 4176000 CPU: 13514.8, 0.0031326/step Wall: 13514.8, 0.0031326/step, 0.717016 hours remaining, 234.898438 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: 4176000 4007.5839 20550.6870 14464.1524 258.9331 -203441.7786 2699.7416 0.0000 0.0000 51822.3721 -109638.3085 297.8239 -161460.6806 -109281.7223 298.5093 85.9433 111.4402 761119.7937 10.5103 10.3385 PRESSURE: 4176200 105.735 -41.76 -94.3796 -41.7599 -34.2023 -197.226 -94.3799 -197.227 -284.678 GPRESSURE: 4176200 105.491 -44.941 -110.021 -5.09668 -0.547463 -179.642 -202.406 -128.502 -209.224 PRESSAVG: 4176200 -13.0545 -42.1839 4.71316 -42.1839 -19.3387 -65.2532 4.71316 -65.2532 -22.3771 GPRESSAVG: 4176200 -13.0822 -43.4913 4.11044 -42.1892 -18.959 -65.4863 4.12521 -62.9497 -22.5166 TIMING: 4176200 CPU: 13515.5, 0.00311037/step Wall: 13515.5, 0.00311037/step, 0.711757 hours remaining, 234.898438 MB of memory in use. ENERGY: 4176200 3966.5855 20400.9259 14484.4380 238.1323 -203167.1431 2313.1883 0.0000 0.0000 52109.9052 -109653.9679 299.4763 -161763.8731 -109296.3983 298.6733 -71.0486 -34.7604 760472.3789 -18.2568 -18.1859 LDB: ============= START OF LOAD BALANCING ============== 13527.9 LDB: ============== END OF LOAD BALANCING =============== 13527.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13527.9 LDB: ============= START OF LOAD BALANCING ============== 13528.2 LDB: Largest compute 7059 load 0.033426 is 17.1% of average load 0.195571 LDB: Average compute 0.004389 is 2.2% of average load 0.195571 LDB: TIME 13528.2 LOAD: AVG 0.195571 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.719 MB LDB: TIME 13528.2 LOAD: AVG 0.195571 MAX 0.214613 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: TIME 13528.2 LOAD: AVG 0.195571 MAX 0.214613 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.977 MB LDB: ============== END OF LOAD BALANCING =============== 13528.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13528.2 PRESSURE: 4176400 -16.198 -159.597 -223.791 -159.596 -392.295 -42.8084 -223.791 -42.809 -8.38278 GPRESSURE: 4176400 42.6628 -200.195 -227.804 -212.196 -337.027 -37.5975 -45.3846 -190.535 -30.0379 PRESSAVG: 4176400 -44.0505 -47.3609 -39.0759 -47.3609 -37.8692 -48.1288 -39.0759 -48.1288 4.75257 GPRESSAVG: 4176400 -43.8572 -46.4521 -38.8948 -47.2137 -38.4506 -47.6736 -37.9234 -49.6675 5.65485 TIMING: 4176400 CPU: 13516.1, 0.0031828/step Wall: 13516.1, 0.0031828/step, 0.728154 hours remaining, 235.394531 MB of memory in use. ENERGY: 4176400 4016.1226 20395.8718 14490.3287 249.4958 -203268.3914 2347.3035 0.0000 0.0000 52057.6720 -109711.5970 299.1762 -161769.2689 -109348.4938 299.1973 -138.9587 -108.1339 761147.4739 -25.7224 -25.5510 PRESSURE: 4176600 -71.171 77.6146 141.739 77.6141 12.2933 108.06 141.739 108.061 -353.477 GPRESSURE: 4176600 -47.5732 97.8656 120.083 118.511 86.6974 95.0061 130.461 128.551 -396.699 PRESSAVG: 4176600 53.29 -42.411 -19.7671 -42.411 -27.2693 2.69523 -19.7672 2.69526 4.94456 GPRESSAVG: 4176600 53.0314 -41.0548 -20.2774 -42.3683 -27.6627 3.42417 -20.7105 0.756998 5.13977 TIMING: 4176600 CPU: 13516.7, 0.00312457/step Wall: 13516.7, 0.00312457/step, 0.714659 hours remaining, 235.464844 MB of memory in use. ENERGY: 4176600 3908.0376 20579.9362 14494.6090 252.3217 -203695.4479 2564.3687 0.0000 0.0000 51902.1004 -109994.0743 298.2821 -161896.1747 -109629.1180 298.5442 -137.4517 -119.1917 761260.9428 10.3218 10.1695 PRESSURE: 4176800 116.715 188.732 47.3337 188.731 191.119 -217.172 47.3343 -217.173 -130.03 GPRESSURE: 4176800 120.313 224.653 5.91109 159.005 154.723 -283.824 191.614 -227.755 -19.266 PRESSAVG: 4176800 -0.272485 -48.2355 24.1204 -48.2356 -0.00673367 35.2979 24.1204 35.2979 10.8695 GPRESSAVG: 4176800 -0.857346 -47.5927 23.9653 -49.0322 -0.151647 33.9942 22.9093 38.9972 11.2605 TIMING: 4176800 CPU: 13517.3, 0.00313009/step Wall: 13517.3, 0.00313009/step, 0.715747 hours remaining, 235.464844 MB of memory in use. ENERGY: 4176800 3931.4278 20457.6869 14543.4125 253.7694 -204157.9392 2965.6722 0.0000 0.0000 52123.7597 -109882.2106 299.5560 -162005.9703 -109530.6661 298.5736 59.2679 85.2568 760035.9838 3.5301 3.4172 PRESSURE: 4177000 57.8812 99.7953 101.813 99.7945 63.8448 -218.51 101.813 -218.51 -136.118 GPRESSURE: 4177000 62.2059 35.5116 81.8036 48.2526 91.1688 -166.663 -21.5415 -149.038 -55.6369 PRESSAVG: 4177000 -6.36504 7.17475 5.40182 7.17479 -13.428 3.7555 5.40186 3.75546 6.75214 GPRESSAVG: 4177000 -5.91312 7.53705 5.31222 4.52462 -13.3494 4.98357 7.06316 1.09905 7.08158 TIMING: 4177000 CPU: 13518, 0.00312733/step Wall: 13518, 0.00312733/step, 0.714943 hours remaining, 235.464844 MB of memory in use. ENERGY: 4177000 3956.8482 20276.8453 14505.4320 246.7054 -203672.0957 2776.0746 0.0000 0.0000 51885.8879 -110024.3022 298.1889 -161910.1901 -109663.2241 298.2142 -4.7972 32.5793 759930.3674 -4.3470 -4.0603 PRESSURE: 4177200 -16.7643 37.1326 -116.387 37.133 -46.0662 84.3118 -116.387 84.312 -117.398 GPRESSURE: 4177200 94.0694 5.35817 -174.318 107.803 -26.3432 180.822 95.9597 -3.43367 -144.559 PRESSAVG: 4177200 3.23529 -26.58 -25.8543 -26.58 -14.0359 -35.173 -25.8543 -35.1731 4.31128 GPRESSAVG: 4177200 3.33769 -28.6534 -25.4843 -23.5318 -13.2308 -35.6721 -28.1206 -33.0544 3.94785 TIMING: 4177200 CPU: 13518.6, 0.00313477/step Wall: 13518.6, 0.00313477/step, 0.71647 hours remaining, 235.464844 MB of memory in use. ENERGY: 4177200 3904.8862 20486.5590 14512.7954 243.9060 -203476.9986 2336.1593 0.0000 0.0000 52021.2781 -109971.4147 298.9670 -161992.6928 -109618.1818 297.8017 -60.0762 -25.6108 760807.7653 -2.1631 -1.9818 PRESSURE: 4177400 182.433 -39.3585 117.798 -39.3585 -62.0367 89.1039 117.798 89.1039 -72.433 GPRESSURE: 4177400 216.113 -64.3243 180.171 -63.8164 -17.45 45.922 182.166 82.9076 -61.505 PRESSAVG: 4177400 55.3704 -6.93423 39.8579 -6.93433 -44.1849 -32.2754 39.8579 -32.2754 7.37119 GPRESSAVG: 4177400 54.8404 -8.08237 40.667 -6.1323 -44.1313 -33.2866 40.1478 -33.3531 7.98275 TIMING: 4177400 CPU: 13519.2, 0.00314768/step Wall: 13519.2, 0.00314768/step, 0.719245 hours remaining, 235.664062 MB of memory in use. ENERGY: 4177400 3996.5032 20629.9165 14400.1846 252.8625 -203893.0629 2860.5168 0.0000 0.0000 51947.1679 -109805.9114 298.5411 -161753.0793 -109457.4730 298.4632 15.9877 45.7195 762068.7910 6.1856 6.2306 PRESSURE: 4177600 -100.872 14.9749 -70.3246 14.975 -243.813 -179.52 -70.3254 -179.521 -165.238 GPRESSURE: 4177600 -95.6332 -13.6456 -96.4821 31.3817 -227.35 -213.085 -34.2291 -209.897 -116.444 PRESSAVG: 4177600 56.3798 -4.22791 25.9577 -4.2279 -55.924 -12.4452 25.9577 -12.4453 22.078 GPRESSAVG: 4177600 56.2019 -4.07751 24.998 -5.19983 -56.4844 -12.7192 27.4348 -13.7494 22.7019 TIMING: 4177600 CPU: 13519.8, 0.00313268/step Wall: 13519.8, 0.00313268/step, 0.715644 hours remaining, 235.664062 MB of memory in use. ENERGY: 4177600 4062.1302 20524.9434 14470.0850 228.4748 -203613.9413 2602.1358 0.0000 0.0000 51999.3003 -109726.8718 298.8407 -161726.1721 -109358.4211 299.1363 -169.9743 -146.4758 762256.3852 7.5113 7.4731 PRESSURE: 4177800 58.044 19.3351 240.937 19.3348 -196.521 -181.736 240.937 -181.737 385.026 GPRESSURE: 4177800 93.6491 55.8604 113.653 92.3329 -88.1938 -128.685 159.908 -239.853 326.441 PRESSAVG: 4177800 111.601 -27.3188 15.6456 -27.3188 -74.3404 -19.2575 15.6456 -19.2575 2.92649 GPRESSAVG: 4177800 112.52 -25.6244 15.2679 -27.5403 -74.5289 -16.563 13.897 -18.6529 2.17965 TIMING: 4177800 CPU: 13520.5, 0.00312997/step Wall: 13520.5, 0.00312997/step, 0.714851 hours remaining, 235.664062 MB of memory in use. ENERGY: 4177800 3974.2259 20507.5587 14455.0879 235.2226 -203802.5353 2898.8049 0.0000 0.0000 51913.3524 -109818.2829 298.3467 -161731.6353 -109455.2081 298.1741 82.1828 110.6320 762082.6541 13.3958 13.3902 PRESSURE: 4178000 -55.355 -133.993 86.0525 -133.994 -470.128 -149.608 86.053 -149.609 -293.223 GPRESSURE: 4178000 93.7443 -167.723 20.0175 -148.247 -469.608 47.9209 109.313 -180.55 -341.077 PRESSAVG: 4178000 100.181 -14.5735 -9.83836 -14.5735 -91.4978 -21.9578 -9.83843 -21.9578 -17.6941 GPRESSAVG: 4178000 100.193 -14.8622 -9.39755 -15.4157 -89.996 -23.7097 -9.11907 -22.1248 -18.6427 TIMING: 4178000 CPU: 13521.1, 0.00316072/step Wall: 13521.1, 0.00316072/step, 0.721699 hours remaining, 235.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4178000 3945.2817 20500.3568 14442.8553 237.8800 -203723.6327 2514.5268 0.0000 0.0000 52173.7488 -109908.9832 299.8433 -162082.7321 -109543.7450 298.6348 -272.9022 -238.9803 762538.5408 -3.0036 -2.8152 PRESSURE: 4178200 353.755 190.836 445.124 190.836 23.2236 40.4737 445.123 40.4741 78.8805 GPRESSURE: 4178200 315.859 54.6965 427.998 219.663 93.8719 45.5936 325.551 -80.4938 116.089 PRESSAVG: 4178200 70.7734 -53.8654 64.109 -53.8653 -65.3931 -34.9889 64.109 -34.9888 -9.91706 GPRESSAVG: 4178200 69.917 -56.6371 64.6718 -53.4832 -66.1392 -32.9355 62.8526 -34.906 -8.96805 TIMING: 4178200 CPU: 13521.7, 0.00315822/step Wall: 13521.7, 0.00315823/step, 0.720953 hours remaining, 235.664062 MB of memory in use. ENERGY: 4178200 3926.1975 20505.0217 14525.1444 247.3864 -203750.2308 2767.9970 0.0000 0.0000 51983.3995 -109795.0843 298.7493 -161778.4838 -109445.9204 298.6337 151.9531 175.2733 759894.0193 -1.5123 -1.7301 PRESSURE: 4178400 -23.3764 -6.16457 283.722 -6.16502 -141.447 -20.3959 283.721 -20.3958 -105.53 GPRESSURE: 4178400 41.2304 -11.5009 229.979 -27.1327 -105.193 -47.9997 343.563 57.6678 -133.244 PRESSAVG: 4178400 107.426 -66.4018 54.4724 -66.4018 -81.8534 16.4232 54.4723 16.4231 -20.4751 GPRESSAVG: 4178400 107.179 -65.2406 52.2879 -67.0647 -81.855 14.711 56.012 16.6666 -20.7087 TIMING: 4178400 CPU: 13522.4, 0.00317615/step Wall: 13522.4, 0.00317615/step, 0.724867 hours remaining, 235.664062 MB of memory in use. ENERGY: 4178400 3988.3029 20452.4004 14508.4715 244.3639 -203773.8021 2656.1697 0.0000 0.0000 52042.5131 -109881.5807 299.0890 -161924.0938 -109532.8524 298.4917 -90.1180 -65.7356 761082.8400 1.6990 1.5383 PRESSURE: 4178600 337.814 -45.8791 36.5016 -45.8794 -246.527 285.25 36.5006 285.249 -43.0099 GPRESSURE: 4178600 292.842 -48.5505 94.864 -7.93319 -199.644 216.736 111.693 203.548 32.9336 PRESSAVG: 4178600 52.4852 -91.7652 25.7801 -91.7652 -49.3024 -6.76652 25.7801 -6.76651 -7.49754 GPRESSAVG: 4178600 52.3162 -92.2636 27.092 -89.8534 -49.5121 -4.89535 25.0513 -9.02936 -6.74217 TIMING: 4178600 CPU: 13523, 0.0031669/step Wall: 13523, 0.00316691/step, 0.722582 hours remaining, 235.664062 MB of memory in use. ENERGY: 4178600 3957.4313 20632.5496 14563.2545 229.3003 -203927.5827 2947.9900 0.0000 0.0000 52051.0570 -109546.0000 299.1381 -161597.0571 -109175.9571 298.8748 16.0923 42.0438 761284.5838 -1.4382 -1.3127 PRESSURE: 4178800 202.63 -44.5942 -15.7339 -44.5943 -25.107 -134.537 -15.7331 -134.537 -235.838 GPRESSURE: 4178800 154.155 14.9474 -30.0645 -66.8395 65.3375 -60.8109 91.7942 -27.8481 -196.456 PRESSAVG: 4178800 -29.678 -107.655 75.1394 -107.655 -26.3486 17.6074 75.1394 17.6074 4.30024 GPRESSAVG: 4178800 -29.494 -105.872 75.5399 -107.761 -26.8526 15.7756 75.5041 21.6738 4.42218 TIMING: 4178800 CPU: 13523.6, 0.0031496/step Wall: 13523.6, 0.0031496/step, 0.718459 hours remaining, 235.664062 MB of memory in use. ENERGY: 4178800 4048.5106 20393.7626 14502.7108 232.0948 -203759.9947 2869.4389 0.0000 0.0000 52183.6275 -109529.8495 299.9000 -161713.4770 -109166.1323 298.9890 -19.4384 7.6789 762959.5714 -17.2421 -17.3082 PRESSURE: 4179000 20.2663 9.99387 57.1275 9.99286 -286.804 86.2207 57.1278 86.2199 115.994 GPRESSURE: 4179000 -14.1388 24.1091 -3.91515 5.31791 -231.996 7.21657 43.7566 -80.4639 165.968 PRESSAVG: 4179000 44.6172 -18.7123 14.848 -18.7124 -6.3535 -18.7271 14.848 -18.7271 -18.6472 GPRESSAVG: 4179000 43.8736 -21.9789 14.7016 -17.7208 -4.93792 -16.9661 14.8334 -21.7814 -19.1643 TIMING: 4179000 CPU: 13524.3, 0.00313523/step Wall: 13524.3, 0.00313523/step, 0.715006 hours remaining, 235.664062 MB of memory in use. ENERGY: 4179000 3947.9324 20450.1515 14506.9846 247.9351 -203009.1760 2231.9409 0.0000 0.0000 52136.0969 -109488.1346 299.6269 -161624.2315 -109129.5108 298.9382 -50.1812 -26.7222 763002.6951 6.5388 6.5905 PRESSURE: 4179200 -141.477 25.5343 2.83726 25.5346 -252.64 -224.81 2.83657 -224.811 79.4442 GPRESSURE: 4179200 -125.39 58.1134 82.3129 -12.0315 -272.003 -188.807 -3.01693 -121.028 153.799 PRESSAVG: 4179200 -6.55502 -18.6071 -8.43784 -18.6071 19.3037 -8.12853 -8.43779 -8.1285 20.4033 GPRESSAVG: 4179200 -6.29323 -15.4961 -8.21102 -18.9989 18.9259 -8.3057 -6.91586 -5.62702 20.7967 TIMING: 4179200 CPU: 13524.9, 0.00312905/step Wall: 13524.9, 0.00312905/step, 0.713424 hours remaining, 235.664062 MB of memory in use. ENERGY: 4179200 4029.2065 20551.8747 14467.7990 235.4534 -203450.0529 2551.4333 0.0000 0.0000 51991.6753 -109622.6106 298.7969 -161614.2859 -109266.4156 298.8800 -104.8909 -81.1978 760802.5181 11.0507 11.1431 PRESSURE: 4179400 -28.1615 155.354 -13.7651 155.355 272.4 25.2097 -13.7654 25.2087 113.327 GPRESSURE: 4179400 31.7678 72.0114 18.102 122.269 278.875 -22.2748 -44.4778 108.831 123.076 PRESSAVG: 4179400 38.5993 -49.0838 -9.37127 -49.0838 -60.9219 -70.7923 -9.37131 -70.7923 -30.1177 GPRESSAVG: 4179400 38.9301 -52.0304 -8.56084 -49.7975 -60.9964 -70.5482 -10.779 -74.0146 -30.7503 TIMING: 4179400 CPU: 13525.5, 0.00314031/step Wall: 13525.5, 0.00314031/step, 0.715816 hours remaining, 235.664062 MB of memory in use. ENERGY: 4179400 3982.4437 20539.6865 14538.3537 260.7167 -203418.2063 2578.9386 0.0000 0.0000 51898.9023 -109619.1648 298.2637 -161518.0671 -109259.5051 299.1978 119.1882 144.5729 760248.5499 -17.4801 -17.6055 PRESSURE: 4179600 270.901 44.7507 87.511 44.7499 48.7157 -52.8592 87.5115 -52.8604 150.838 GPRESSURE: 4179600 289.182 177.977 40.3226 -73.1296 92.8159 -73.3947 84.6599 -111.478 182.029 PRESSAVG: 4179600 1.4575 -51.852 38.731 -51.8519 -10.5998 -7.85177 38.731 -7.8517 27.4964 GPRESSAVG: 4179600 1.12646 -49.2071 38.5143 -52.2712 -10.169 -8.08562 38.8152 -5.80669 27.3818 TIMING: 4179600 CPU: 13526.1, 0.0031606/step Wall: 13526.1, 0.0031606/step, 0.720266 hours remaining, 235.664062 MB of memory in use. ENERGY: 4179600 4030.8608 20319.1533 14520.2596 227.8752 -203622.8257 2735.2246 0.0000 0.0000 52039.6159 -109749.8363 299.0724 -161789.4522 -109388.1917 299.0483 156.8185 188.0090 760539.5591 6.1180 6.1131 PRESSURE: 4179800 -328.024 -150.263 43.9355 -150.264 -221.983 201.399 43.9365 201.399 -246.104 GPRESSURE: 4179800 -302.857 -133.259 77.5334 -141.491 -194.907 190.304 -48.3111 234.193 -214.115 PRESSAVG: 4179800 22.3351 -53.1201 -27.678 -53.1201 -43.3276 43.2521 -27.678 43.2521 -8.94319 GPRESSAVG: 4179800 23.5021 -55.4828 -26.4566 -51.2938 -45.0299 43.1768 -29.0626 43.5981 -8.32362 TIMING: 4179800 CPU: 13526.8, 0.00315561/step Wall: 13526.8, 0.00315561/step, 0.718953 hours remaining, 235.734375 MB of memory in use. ENERGY: 4179800 4044.8773 20644.9365 14423.8953 231.4955 -203322.1843 2472.3242 0.0000 0.0000 51822.0800 -109682.5756 297.8222 -161504.6555 -109327.7724 298.8106 -265.3703 -237.2927 760897.9852 -9.9786 -9.9505 PRESSURE: 4180000 -331.334 -95.8826 -63.7948 -95.8822 249.935 -26.5935 -63.795 -26.5936 -230.061 GPRESSURE: 4180000 -292.641 -56.0891 7.32463 -84.7415 194.742 -14.4057 -16.3259 18.7779 -146.258 PRESSAVG: 4180000 64.9139 -47.034 13.7034 -47.034 -53.4762 -0.164439 13.7035 -0.164297 -8.08985 GPRESSAVG: 4180000 65.1118 -46.6612 12.3105 -48.134 -52.7822 -0.681656 14.4582 -0.811739 -8.87443 TIMING: 4180000 CPU: 13527.4, 0.0031483/step Wall: 13527.4, 0.0031483/step, 0.717113 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4180000 4074.1009 20540.9538 14456.6869 237.9159 -203550.0991 2595.3775 0.0000 0.0000 52040.9162 -109604.1478 299.0799 -161645.0641 -109246.5092 299.0819 -103.8202 -81.3858 760835.8052 1.1160 1.1517 PRESSURE: 4180200 117.772 -121.762 243.425 -121.763 118.222 8.24369 243.425 8.24509 227.748 GPRESSURE: 4180200 135.301 -164.172 263.918 -81.4608 155.721 31.5204 238.577 34.647 250.278 PRESSAVG: 4180200 51.4521 -1.74142 -5.0305 -1.7414 -19.5875 17.0246 -5.03056 17.0246 -11.4802 GPRESSAVG: 4180200 50.8593 -1.2139 -3.8285 -1.61372 -20.0348 16.9946 -5.77398 16.6968 -10.9264 TIMING: 4180200 CPU: 13528, 0.00314447/step Wall: 13528, 0.00314447/step, 0.716066 hours remaining, 235.734375 MB of memory in use. ENERGY: 4180200 3989.0360 20414.4039 14475.6442 236.8452 -203464.8819 2658.4901 0.0000 0.0000 51990.6910 -109699.7716 298.7912 -161690.4625 -109333.6932 298.8272 154.5807 180.4333 760500.1565 6.7948 6.6327 LDB: ============= START OF LOAD BALANCING ============== 13540.5 LDB: ============== END OF LOAD BALANCING =============== 13540.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13540.5 LDB: ============= START OF LOAD BALANCING ============== 13540.8 LDB: Largest compute 7058 load 0.035465 is 18.1% of average load 0.195641 LDB: Average compute 0.004388 is 2.2% of average load 0.195641 LDB: TIME 13540.8 LOAD: AVG 0.195641 MAX 0.215066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.199 MB LDB: TIME 13540.8 LOAD: AVG 0.195641 MAX 0.215066 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: TIME 13540.8 LOAD: AVG 0.195641 MAX 0.215066 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: ============== END OF LOAD BALANCING =============== 13540.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13540.8 PRESSURE: 4180400 -239.578 -78.9209 -96.9354 -78.921 200.339 -69.2556 -96.9358 -69.2555 -360.819 GPRESSURE: 4180400 -172.284 -45.0838 -184.417 -49.0485 129.763 -124.131 -118.69 -18.8674 -279.721 PRESSAVG: 4180400 38.6467 -69.6473 12.2835 -69.6474 -51.1778 27.3585 12.2834 27.3586 1.36418 GPRESSAVG: 4180400 39.5764 -68.7104 9.88142 -69.9708 -50.3699 27.7733 13.0561 27.9927 -0.364031 TIMING: 4180400 CPU: 13528.7, 0.00322849/step Wall: 13528.7, 0.00322849/step, 0.73502 hours remaining, 235.964844 MB of memory in use. ENERGY: 4180400 4017.9972 20494.1085 14397.2744 241.0290 -203276.9455 2421.3674 0.0000 0.0000 51987.2267 -109717.9423 298.7713 -161705.1690 -109367.7139 298.8048 -133.3526 -107.4140 762274.1886 -3.7223 -3.7192 PRESSURE: 4180600 -170.722 5.66848 39.3065 5.66759 64.0388 168.258 39.3067 168.258 -154.594 GPRESSURE: 4180600 -104.826 -25.6783 8.22735 -4.99624 58.1966 160.994 39.1686 126.367 -120.966 PRESSAVG: 4180600 55.7794 -30.5464 -33.7136 -30.5465 -39.138 7.185 -33.7137 7.18499 1.55586 GPRESSAVG: 4180600 55.0317 -30.8214 -32.7036 -31.9083 -39.2833 5.69187 -34 7.5883 2.35624 TIMING: 4180600 CPU: 13529.3, 0.0031606/step Wall: 13529.3, 0.0031606/step, 0.719388 hours remaining, 236.429688 MB of memory in use. ENERGY: 4180600 4043.3806 20434.0385 14461.3803 236.0014 -203471.8161 2613.3318 0.0000 0.0000 51848.5809 -109835.1026 297.9745 -161683.6834 -109462.9580 298.4799 -87.0925 -55.8649 761070.7304 6.0658 6.0349 PRESSURE: 4180800 149.373 -233.176 -37.0036 -233.176 368.677 116.56 -37.0028 116.56 135.159 GPRESSURE: 4180800 236.063 -162.026 3.63321 -211.309 383.862 167.34 79.255 21.8297 128.517 PRESSAVG: 4180800 58.8246 -81.5926 -36.5399 -81.5927 -60.7085 -30.3154 -36.5398 -30.3154 -15.5998 GPRESSAVG: 4180800 58.7517 -82.0065 -35.1727 -80.6392 -60.2233 -28.9407 -36.1147 -33.7079 -15.7631 TIMING: 4180800 CPU: 13529.9, 0.00315454/step Wall: 13529.9, 0.00315454/step, 0.717832 hours remaining, 236.500000 MB of memory in use. ENERGY: 4180800 3978.4380 20457.5143 14450.5003 253.7816 -203710.3655 2931.6507 0.0000 0.0000 51898.6733 -109739.8072 298.2624 -161638.4805 -109377.3937 298.2744 217.7362 249.4805 760816.1728 -5.8279 -5.7449 PRESSURE: 4181000 237.001 35.5055 226.699 35.5057 178.39 -325.118 226.7 -325.118 519.707 GPRESSURE: 4181000 313.9 13.2061 170.381 33.8054 122.459 -267.077 -19.0155 -197.851 572.292 PRESSAVG: 4181000 15.3639 -13.2714 7.10368 -13.2714 -17.2035 -23.0919 7.10372 -23.0919 -5.55795 GPRESSAVG: 4181000 16.8503 -11.6171 5.43807 -13.3712 -18.6567 -24.6124 5.27095 -18.8791 -5.57387 TIMING: 4181000 CPU: 13530.6, 0.00316337/step Wall: 13530.6, 0.00316337/step, 0.719666 hours remaining, 236.500000 MB of memory in use. ENERGY: 4181000 3942.6853 20534.0163 14446.8896 231.4429 -203361.0498 2759.9174 0.0000 0.0000 51908.4908 -109537.6073 298.3188 -161446.0981 -109168.0457 298.5950 311.6993 336.2172 763366.1827 -2.4659 -2.4601 PRESSURE: 4181200 -288.732 112.682 175.148 112.682 62.3752 -213.343 175.148 -213.342 -307.137 GPRESSURE: 4181200 -244.306 75.5204 118.61 -5.06363 86.221 -234.66 204.514 -207.623 -298.45 PRESSAVG: 4181200 6.8267 -65.8389 -10.369 -65.8389 -5.2567 -41.4225 -10.3691 -41.4225 -0.519745 GPRESSAVG: 4181200 5.55384 -67.256 -9.81003 -65.6147 -4.42486 -41.4636 -8.52967 -41.9164 0.256716 TIMING: 4181200 CPU: 13531.2, 0.00314994/step Wall: 13531.2, 0.00314994/step, 0.716437 hours remaining, 236.500000 MB of memory in use. ENERGY: 4181200 3956.4770 20535.3315 14528.3342 247.1184 -202935.4169 2204.8209 0.0000 0.0000 52084.1823 -109379.1526 299.3285 -161463.3349 -109019.6379 299.3248 -177.8310 -152.1783 761135.5006 0.3501 0.4619 PRESSURE: 4181400 93.0809 -29.0209 -117.905 -29.0215 -149.908 -121.791 -117.905 -121.791 606.032 GPRESSURE: 4181400 70.6315 -17.5517 -78.9401 -15.5149 21.1342 -179.073 -76.4851 -168.589 545.215 PRESSAVG: 4181400 88.4512 22.2181 -57.9305 22.2181 -64.0218 21.9438 -57.9306 21.9439 2.00554 GPRESSAVG: 4181400 88.548 20.2488 -57.4288 23.3302 -63.5235 22.3701 -58.2711 21.5116 1.88364 TIMING: 4181400 CPU: 13531.8, 0.00316255/step Wall: 13531.8, 0.00316255/step, 0.719129 hours remaining, 236.554688 MB of memory in use. ENERGY: 4181400 3975.0002 20582.9369 14524.0054 257.7042 -203211.3833 2449.7042 0.0000 0.0000 52030.3181 -109391.7143 299.0190 -161422.0324 -109022.4569 299.6506 183.0684 212.3270 761242.8305 8.8117 8.9694 PRESSURE: 4181600 -327.142 -109.098 -125.525 -109.098 89.6221 -26.9485 -125.525 -26.9481 351.475 GPRESSURE: 4181600 -294.738 -93.4124 -101.762 -161.178 70.6917 -43.5028 -168.652 -39.7863 420.399 PRESSAVG: 4181600 -26.8303 0.932684 -76.2449 0.932678 -14.4693 -31.8436 -76.245 -31.8436 6.19021 GPRESSAVG: 4181600 -26.2525 2.62809 -78.537 -0.474318 -15.3025 -31.6404 -76.2359 -32.9998 6.50475 TIMING: 4181600 CPU: 13532.5, 0.00316355/step Wall: 13532.5, 0.00316355/step, 0.719181 hours remaining, 236.554688 MB of memory in use. ENERGY: 4181600 3898.4524 20534.9890 14540.1923 252.0558 -203240.5868 2772.1707 0.0000 0.0000 51963.5030 -109279.2237 298.6350 -161242.7267 -108924.7773 300.2081 37.9848 65.4509 763539.8485 -11.7031 -11.6834 PRESSURE: 4181800 -515.251 80.9801 52.0964 80.9803 -89.8478 116.334 52.0963 116.335 -462.459 GPRESSURE: 4181800 -374.504 17.5316 28.501 89.1459 -147.438 146.005 2.20385 136.99 -479.642 PRESSAVG: 4181800 9.43595 -8.70596 -55.6703 -8.70595 -41.8137 -6.73092 -55.6704 -6.73084 31.7745 GPRESSAVG: 4181800 7.77402 -8.91861 -54.1205 -10.2018 -39.8142 -5.80405 -56.9142 -7.1215 31.0189 TIMING: 4181800 CPU: 13533.1, 0.0031646/step Wall: 13533.1, 0.0031646/step, 0.719242 hours remaining, 236.554688 MB of memory in use. ENERGY: 4181800 4053.2483 20643.1029 14496.1671 238.5518 -203190.8726 2389.5409 0.0000 0.0000 52153.6579 -109216.6037 299.7278 -161370.2616 -108869.7306 299.7127 -355.8525 -333.8613 763233.5683 -0.2011 -0.3404 PRESSURE: 4182000 62.1647 89.2238 -163.111 89.2244 235.707 -171.379 -163.111 -171.379 -110.318 GPRESSURE: 4182000 61.5208 86.132 -180.752 94.3086 283.908 -238.81 -86.4929 -60.8003 -64.2398 PRESSAVG: 4182000 45.8302 -19.403 -8.63875 -19.4031 40.8072 -9.93546 -8.6387 -9.93541 22.0574 GPRESSAVG: 4182000 46.707 -18.6014 -8.19925 -16.7871 39.6738 -11.4647 -6.37141 -8.7357 22.4794 TIMING: 4182000 CPU: 13533.7, 0.00317417/step Wall: 13533.7, 0.00317417/step, 0.721242 hours remaining, 236.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 3966.5265 20577.6650 14497.4757 254.6052 -203758.1470 3032.0259 0.0000 0.0000 52187.2180 -109242.6307 299.9207 -161429.8487 -108893.4509 300.0757 62.5179 93.7298 761381.5337 36.2316 36.2867 PRESSURE: 4182200 -33.6457 96.856 -42.8959 96.8561 192.098 112.646 -42.8966 112.647 -476.912 GPRESSURE: 4182200 24.8241 125.45 -33.7981 -24.9632 164.694 186.442 -72.1126 92.0383 -412.144 PRESSAVG: 4182200 -27.5888 -12.9727 -5.95621 -12.9728 27.4834 31.6806 -5.95621 31.6806 -22.6346 GPRESSAVG: 4182200 -27.8201 -12.7592 -6.79693 -14.7249 26.0931 31.8415 -6.81218 33.216 -21.412 TIMING: 4182200 CPU: 13534.4, 0.00322174/step Wall: 13534.4, 0.00322174/step, 0.731872 hours remaining, 236.554688 MB of memory in use. ENERGY: 4182200 4002.4185 20514.4101 14431.3939 249.8550 -203586.1621 2789.2608 0.0000 0.0000 52195.1877 -109403.6361 299.9665 -161598.8239 -109041.2281 300.0212 -106.1533 -74.2086 761568.7002 -7.5800 -7.7130 PRESSURE: 4182400 -72.2894 -49.5051 131.324 -49.5046 125.223 20.9097 131.324 20.9094 226.469 GPRESSURE: 4182400 -108.502 -27.9318 131.745 -64.0089 244.878 43.5998 243.96 95.1419 226.225 PRESSAVG: 4182400 -21.5967 -41.4787 8.56914 -41.4787 53.2728 5.2225 8.56919 5.22251 2.42383 GPRESSAVG: 4182400 -21.8285 -41.5019 7.44825 -42.1895 54.6848 5.36502 8.80294 5.46841 2.27718 TIMING: 4182400 CPU: 13535, 0.00322865/step Wall: 13535, 0.00322865/step, 0.733262 hours remaining, 236.554688 MB of memory in use. ENERGY: 4182400 3999.4101 20636.0012 14477.3444 247.2596 -203416.2810 2655.3721 0.0000 0.0000 52151.4557 -109249.4378 299.7151 -161400.8935 -108899.1696 299.7636 93.1344 120.8672 760980.5469 11.3666 11.7112 PRESSURE: 4182600 10.9388 105.925 135.735 105.924 -114.882 22.914 135.735 22.9141 286.167 GPRESSURE: 4182600 50.3534 -46.2065 177.3 124.345 -29.3589 -32.2933 11.7618 35.1122 234.661 PRESSAVG: 4182600 -52.68 -33.1651 44.9198 -33.1651 22.8526 17.2635 44.9198 17.2635 -15.7369 GPRESSAVG: 4182600 -52.9669 -33.1028 44.9091 -32.587 22.0452 17.8273 45.3078 15.0187 -15.781 TIMING: 4182600 CPU: 13535.7, 0.00325603/step Wall: 13535.7, 0.00325603/step, 0.7393 hours remaining, 236.554688 MB of memory in use. ENERGY: 4182600 3974.6117 20563.6651 14553.2886 240.3000 -203059.2009 2524.7075 0.0000 0.0000 52116.5229 -109086.1050 299.5144 -161202.6279 -108729.4342 299.9286 60.7412 85.2184 762071.6246 -15.1881 -15.5676 PRESSURE: 4182800 -140.475 -189.731 51.6479 -189.729 -477.55 263.138 51.6476 263.137 -100.105 GPRESSURE: 4182800 -108.364 -175.744 67.706 -157.984 -412.546 202.164 -41.1731 183.048 -126.28 PRESSAVG: 4182800 0.529512 -75.9418 -23.8594 -75.9417 -42.1239 6.36807 -23.8593 6.36812 10.9339 GPRESSAVG: 4182800 0.694148 -76.4872 -21.517 -75.6522 -42.4711 6.79749 -25.8472 6.51408 11.1896 TIMING: 4182800 CPU: 13536.3, 0.00325949/step Wall: 13536.3, 0.00325949/step, 0.739904 hours remaining, 236.554688 MB of memory in use. ENERGY: 4182800 3969.8107 20625.1703 14493.5139 254.8288 -202842.5846 2639.1869 0.0000 0.0000 52001.4088 -108858.6652 298.8528 -160860.0740 -108496.1942 299.8934 -239.3769 -215.7300 763008.9917 -10.2202 -10.1958 PRESSURE: 4183000 -125.73 17.8435 -108.068 17.8431 114.543 181.528 -108.069 181.528 7.53892 GPRESSURE: 4183000 -128.895 -197.716 -79.9858 81.5006 143.192 248.582 -33.8877 174.499 59.9467 PRESSAVG: 4183000 51.8926 -57.9428 54.7933 -57.9427 -32.4991 9.55297 54.7934 9.55292 -5.31651 GPRESSAVG: 4183000 51.6241 -59.0007 55.082 -57.2034 -32.3623 10.1859 55.8078 10.0364 -5.9043 TIMING: 4183000 CPU: 13537, 0.0032083/step Wall: 13537, 0.0032083/step, 0.728105 hours remaining, 236.554688 MB of memory in use. ENERGY: 4183000 3946.9412 20681.6272 14478.1856 235.4230 -203406.5373 2789.2307 0.0000 0.0000 52113.0868 -109162.0427 299.4946 -161275.1295 -108801.8427 300.2829 -1.2160 24.7480 762387.2179 4.6923 4.4525 PRESSURE: 4183200 299.523 37.8565 -67.4657 37.8566 -233.979 61.0882 -67.4653 61.0886 75.9416 GPRESSURE: 4183200 320.261 -17.6068 -136.129 65.6357 -203.165 76.169 -203.278 103.551 87.1357 PRESSAVG: 4183200 30.3322 -50.0959 45.819 -50.0958 -0.0814004 22.2419 45.819 22.2419 14.5363 GPRESSAVG: 4183200 29.0186 -52.0576 44.1726 -49.73 1.74001 21.0968 46.374 22.316 14.291 TIMING: 4183200 CPU: 13537.6, 0.00315866/step Wall: 13537.6, 0.00315866/step, 0.716664 hours remaining, 236.753906 MB of memory in use. ENERGY: 4183200 3950.1604 20580.2740 14442.0363 252.0857 -203194.8117 2519.9886 0.0000 0.0000 52259.3245 -109190.9422 300.3351 -161450.2667 -108821.1665 300.0817 47.1619 68.0772 761335.2440 14.9290 15.0165 PRESSURE: 4183400 -134.114 -88.8222 27.0243 -88.8233 10.1549 100.346 27.0243 100.348 -162.934 GPRESSURE: 4183400 -96.5301 -38.4985 78.6195 -97.2176 2.95616 42.3589 -39.6077 156.433 -114.265 PRESSAVG: 4183400 -7.73121 -90.1183 38.0101 -90.1183 -24.68 8.01407 38.0101 8.01406 3.65978 GPRESSAVG: 4183400 -5.80226 -87.1563 39.7796 -91.6491 -26.6259 9.40326 37.4972 6.955 3.84439 TIMING: 4183400 CPU: 13538.2, 0.00316737/step Wall: 13538.2, 0.00316737/step, 0.718465 hours remaining, 236.753906 MB of memory in use. ENERGY: 4183400 3941.9322 20332.8872 14503.5633 247.1232 -203159.5487 2542.6607 0.0000 0.0000 52139.4683 -109451.9138 299.6462 -161591.3821 -109086.9121 299.0804 -95.6311 -69.2795 762462.9448 -9.5838 -9.5279 PRESSURE: 4183600 59.0782 101.315 22.0937 101.314 -117.745 78.4212 22.0929 78.4204 -68.8213 GPRESSURE: 4183600 115.666 73.8885 120.296 152.747 -175.24 76.1821 -60.7935 130.362 11.0436 PRESSAVG: 4183600 4.61998 -39.2654 9.24567 -39.2655 30.322 22.5918 9.24564 22.5917 -14.3378 GPRESSAVG: 4183600 3.03075 -38.5298 8.23838 -37.8756 30.9252 22.8464 9.48247 24.6484 -13.809 TIMING: 4183600 CPU: 13538.9, 0.00316068/step Wall: 13538.9, 0.00316068/step, 0.716772 hours remaining, 236.753906 MB of memory in use. ENERGY: 4183600 4034.3920 20493.5838 14571.3608 251.9739 -203194.8868 2414.9188 0.0000 0.0000 51988.5947 -109440.0628 298.7792 -161428.6575 -109087.7238 299.1880 -42.4959 -16.1769 760960.0026 6.8681 6.7157 PRESSURE: 4183800 247.764 116.115 -159.243 116.115 73.5427 187.647 -159.243 187.646 187.899 GPRESSURE: 4183800 211.665 81.7596 -226.261 90.3752 168.745 139.05 -87.7916 199.507 213.037 PRESSAVG: 4183800 -19.8442 -44.5772 -31.5368 -44.5773 -34.7491 17.1526 -31.5368 17.1526 -8.50257 GPRESSAVG: 4183800 -20.2693 -45.5834 -31.2729 -46.2911 -34.3484 16.241 -29.8794 16.356 -9.18172 TIMING: 4183800 CPU: 13539.5, 0.00318266/step Wall: 13539.5, 0.00318266/step, 0.72158 hours remaining, 236.753906 MB of memory in use. ENERGY: 4183800 3911.1754 20497.3063 14484.0549 235.9050 -203427.8680 2661.1592 0.0000 0.0000 52201.3799 -109436.8872 300.0020 -161638.2671 -109080.7578 299.9769 169.7352 197.8160 759906.8528 -21.0319 -21.2665 PRESSURE: 4184000 -53.8894 166.585 -100.744 166.586 138.751 68.4616 -100.744 68.4612 190.329 GPRESSURE: 4184000 -133.138 159.988 -152.093 127.841 240.67 108.688 -94.8011 -19.1834 253.081 PRESSAVG: 4184000 33.571 -50.8179 -15.9592 -50.8179 -19.4012 69.1696 -15.9592 69.1696 -18.7394 GPRESSAVG: 4184000 34.2997 -50.801 -17.0528 -50.1415 -20.417 70.5897 -16.0184 67.3304 -18.3584 TIMING: 4184000 CPU: 13540.1, 0.00315231/step Wall: 13540.1, 0.00315231/step, 0.714524 hours remaining, 236.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4184000 4005.5466 20587.4225 14554.8168 246.0153 -203249.3596 2560.9656 0.0000 0.0000 52024.4929 -109270.1000 298.9855 -161294.5929 -108917.9186 299.5592 91.7303 120.2044 760504.8039 -1.5232 -1.4919 PRESSURE: 4184200 -243.051 -381.602 -186.914 -381.601 -42.0597 -50.6833 -186.912 -50.6844 -257.044 GPRESSURE: 4184200 -169.813 -448.228 -133.739 -129.434 -12.1559 -71.002 -67.0436 -247.749 -281.857 PRESSAVG: 4184200 -4.96134 -30.3219 -7.09622 -30.3219 -13.5939 2.86382 -7.09618 2.86381 19.1606 GPRESSAVG: 4184200 -4.25056 -29.6749 -4.35834 -29.7012 -12.9404 2.10921 -9.18856 3.51296 17.5477 TIMING: 4184200 CPU: 13540.8, 0.00312739/step Wall: 13540.8, 0.00312739/step, 0.708701 hours remaining, 236.753906 MB of memory in use. ENERGY: 4184200 3993.1240 20802.5390 14467.3053 229.3878 -203007.2423 2332.2907 0.0000 0.0000 52046.3582 -109136.2372 299.1111 -161182.5954 -108775.8519 299.9470 -180.7180 -154.6088 761052.5074 0.2018 0.1189 LDB: ============= START OF LOAD BALANCING ============== 13553.2 LDB: ============== END OF LOAD BALANCING =============== 13553.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13553.2 LDB: ============= START OF LOAD BALANCING ============== 13553.5 LDB: Largest compute 7059 load 0.032698 is 16.7% of average load 0.195590 LDB: Average compute 0.004400 is 2.2% of average load 0.195590 LDB: TIME 13553.5 LOAD: AVG 0.19559 MAX 0.214981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 13553.5 LOAD: AVG 0.19559 MAX 0.214981 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: TIME 13553.5 LOAD: AVG 0.19559 MAX 0.214981 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: ============== END OF LOAD BALANCING =============== 13553.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13553.5 PRESSURE: 4184400 -222.259 -11.4315 139.743 -11.4322 148.866 -14.6979 139.744 -14.6963 151.441 GPRESSURE: 4184400 -127.418 -26.5012 71.3031 165.53 44.8008 -74.1906 260.693 -47.2108 220.475 PRESSAVG: 4184400 6.41314 -47.9973 -2.1742 -47.9973 0.103585 14.7025 -2.17426 14.7025 5.1627 GPRESSAVG: 4184400 6.76739 -49.3749 -3.04713 -47.4881 -0.989676 13.5375 -1.14371 15.0957 6.24712 TIMING: 4184400 CPU: 13541.4, 0.00320445/step Wall: 13541.4, 0.00320445/step, 0.725986 hours remaining, 235.136719 MB of memory in use. ENERGY: 4184400 3950.0394 20461.0947 14522.0572 246.4265 -203374.0163 2748.4461 0.0000 0.0000 52334.7076 -109111.2447 300.7683 -161445.9523 -108743.8171 299.9927 26.0157 45.9524 760853.0229 3.8931 4.0083 PRESSURE: 4184600 -115.377 149.676 253.017 149.676 -226.435 45.5583 253.017 45.5595 -184.561 GPRESSURE: 4184600 -80.7298 89.1232 231.058 182.69 -140.987 34.5411 150.449 -56.689 -204.59 PRESSAVG: 4184600 33.3028 -3.8113 28.4138 -3.81125 -70.4955 5.96778 28.4138 5.96781 2.19419 GPRESSAVG: 4184600 31.9252 -1.51733 25.87 -4.50409 -69.253 6.32003 29.3169 6.09249 2.33012 TIMING: 4184600 CPU: 13542, 0.00312231/step Wall: 13542, 0.00312231/step, 0.707203 hours remaining, 235.535156 MB of memory in use. ENERGY: 4184600 4085.6817 20478.7340 14419.9290 259.8814 -203109.4364 2541.1455 0.0000 0.0000 52164.8307 -109159.2340 299.7920 -161324.0647 -108793.8982 299.7145 -175.4577 -142.1024 763486.2522 -11.6662 -11.6659 PRESSURE: 4184800 -170.939 -19.0087 -117.312 -19.0086 14.7233 203.904 -117.312 203.904 33.0023 GPRESSURE: 4184800 -150.66 52.6374 -45.4832 -120.197 14.7256 165.414 -192.137 202.06 110.574 PRESSAVG: 4184800 -56.4275 -28.8144 -4.61059 -28.8145 11.1021 21.9232 -4.61053 21.9233 8.22642 GPRESSAVG: 4184800 -55.9877 -28.3889 -1.47908 -29.414 11.7957 23.3764 -4.782 21.7348 8.14245 TIMING: 4184800 CPU: 13542.7, 0.00312154/step Wall: 13542.7, 0.00312154/step, 0.706856 hours remaining, 235.535156 MB of memory in use. ENERGY: 4184800 3912.6235 20566.2772 14409.9350 249.4085 -202898.6289 2475.6444 0.0000 0.0000 52145.2357 -109139.5046 299.6794 -161284.7403 -108775.3766 299.6673 -41.0712 -8.4534 764315.7384 -12.3663 -12.0165 PRESSURE: 4185000 -145.949 -194.743 -21.3734 -194.742 162.693 17.6977 -21.3733 17.6964 9.696 GPRESSURE: 4185000 -139.129 -186.275 65.8281 -59.6974 173.221 -24.3495 64.0904 -152.773 75.367 PRESSAVG: 4185000 1.50055 -59.0553 9.86529 -59.0553 8.30619 -10.8961 9.86533 -10.8961 17.4648 GPRESSAVG: 4185000 4.04426 -59.7157 10.6276 -58.3059 5.37004 -12.6391 10.2983 -11.4104 17.9366 TIMING: 4185000 CPU: 13543.3, 0.00313142/step Wall: 13543.3, 0.00313142/step, 0.708919 hours remaining, 235.605469 MB of memory in use. ENERGY: 4185000 3876.7889 20548.3958 14419.9506 271.4092 -203364.2227 2759.8829 0.0000 0.0000 52091.1116 -109396.6837 299.3683 -161487.7953 -109029.5361 299.1267 8.8134 36.4863 763013.1568 9.0905 9.1170 PRESSURE: 4185200 254.531 -40.4957 20.8463 -40.4957 310.349 15.0038 20.8457 15.004 607.563 GPRESSURE: 4185200 350.398 22.743 -5.54925 -210.237 339.271 10.7083 -21.4787 110.773 562.548 PRESSAVG: 4185200 -7.74408 -50.1177 -36.1537 -50.1177 3.1255 6.95188 -36.1537 6.95181 0.689762 GPRESSAVG: 4185200 -8.52465 -50.3472 -35.342 -50.8031 3.31056 6.57295 -38.9442 8.62436 1.76032 TIMING: 4185200 CPU: 13543.9, 0.00313182/step Wall: 13543.9, 0.00313182/step, 0.708836 hours remaining, 235.605469 MB of memory in use. ENERGY: 4185200 3938.5968 20544.1906 14498.1923 244.7826 -203337.8856 2705.9880 0.0000 0.0000 51986.0379 -109420.0973 298.7645 -161406.1353 -109073.2547 298.8407 390.8145 417.4058 761407.3966 -1.3096 -1.1513 PRESSURE: 4185400 226.38 193.075 -77.0761 193.075 -128.261 66.8343 -77.0762 66.8356 -5.80878 GPRESSURE: 4185400 247.558 74.5203 -45.3723 151.679 -77.7644 17.4987 -91.4729 108.756 24.451 PRESSAVG: 4185400 -19.2874 -45.7937 -6.68141 -45.7937 -11.2792 -12.068 -6.68147 -12.0681 -16.397 GPRESSAVG: 4185400 -20.3014 -45.3527 -7.72741 -45.235 -10.089 -13.0947 -3.04447 -12.8004 -16.88 TIMING: 4185400 CPU: 13544.5, 0.00314459/step Wall: 13544.5, 0.00314459/step, 0.711551 hours remaining, 235.605469 MB of memory in use. ENERGY: 4185400 3951.9167 20408.7005 14502.1948 235.8990 -203471.2875 2719.9423 0.0000 0.0000 52248.7075 -109403.9266 300.2740 -161652.6341 -109028.6780 299.5065 30.7699 64.7484 761850.4305 -15.6545 -15.7568 PRESSURE: 4185600 -109.485 -13.6487 -54.5882 -13.6491 -1.71383 -84.3201 -54.5883 -84.3202 -41.1028 GPRESSURE: 4185600 -86.9044 49.9819 -23.2399 -45.6899 71.7222 -22.7145 15.6302 -59.4278 -45.2703 PRESSAVG: 4185600 27.0364 -33.8407 17.0422 -33.8407 -39.2304 59.3195 17.0422 59.3195 -9.29198 GPRESSAVG: 4185600 28.1978 -34.4624 15.8851 -33.5449 -39.3026 60.0003 16.2814 62.4687 -10.4324 TIMING: 4185600 CPU: 13545.2, 0.00313568/step Wall: 13545.2, 0.00313568/step, 0.709361 hours remaining, 235.605469 MB of memory in use. ENERGY: 4185600 3993.5257 20571.4717 14490.5351 258.2950 -203225.0881 2588.8108 0.0000 0.0000 52327.2182 -108995.2316 300.7252 -161322.4498 -108633.4354 300.4988 -50.7671 -20.1508 762454.9066 -7.1620 -7.1791 PRESSURE: 4185800 -512.387 152.716 71.646 152.716 -190.083 102.054 71.6454 102.055 -437.695 GPRESSURE: 4185800 -444.328 269.136 83.9341 155.461 -279.7 165.52 12.6825 77.1563 -324.549 PRESSAVG: 4185800 2.09033 -57.7222 -19.7747 -57.7222 15.691 -42.8863 -19.7748 -42.8862 -29.6911 GPRESSAVG: 4185800 0.24427 -58.1645 -17.7547 -56.6376 16.1019 -42.6931 -20.3932 -46.0673 -28.0593 TIMING: 4185800 CPU: 13545.8, 0.00312534/step Wall: 13545.8, 0.00312534/step, 0.706849 hours remaining, 235.605469 MB of memory in use. ENERGY: 4185800 4011.3229 20484.6941 14556.5615 244.4778 -202775.6369 2285.4381 0.0000 0.0000 52198.8432 -108994.2992 299.9875 -161193.1424 -108625.1370 300.2985 -380.0550 -349.5258 762709.5591 -3.9699 -3.9044 PRESSURE: 4186000 -185.575 -53.7141 -298.424 -53.7149 -225.538 -107.878 -298.423 -107.878 -531.705 GPRESSURE: 4186000 -219.916 22.8453 -269.937 -118.387 -161.084 -95.3902 -229.474 -132.093 -471.299 PRESSAVG: 4186000 13.5625 -64.4382 34.9196 -64.4381 -6.65668 -1.51789 34.9195 -1.51794 -9.35564 GPRESSAVG: 4186000 13.181 -63.9299 34.3173 -65.1985 -6.2879 -0.584153 34.1153 -3.18496 -9.38568 TIMING: 4186000 CPU: 13546.4, 0.00312853/step Wall: 13546.4, 0.00312853/step, 0.707395 hours remaining, 235.605469 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: 4186000 4042.8786 20578.7955 14500.0473 246.9615 -203210.6563 2581.6079 0.0000 0.0000 52242.2966 -109018.0689 300.2372 -161260.3655 -108651.7101 300.0939 -314.2728 -284.0998 761371.0739 -0.8166 -0.8309 PRESSURE: 4186200 -305.728 38.75 15.1387 38.7499 384.41 138.31 15.1389 138.308 83.7979 GPRESSURE: 4186200 -222.1 50.0823 3.67452 18.7172 346.847 140.575 7.7325 99.6255 133.577 PRESSAVG: 4186200 -21.8255 -1.32612 -6.09598 -1.3261 11.1305 18.3868 -6.09596 18.3869 -1.66219 GPRESSAVG: 4186200 -20.4018 -0.708806 -7.15177 -0.74342 10.0312 18.216 -4.893 19.417 -1.65756 TIMING: 4186200 CPU: 13547, 0.00310546/step Wall: 13547, 0.00310546/step, 0.702007 hours remaining, 235.605469 MB of memory in use. ENERGY: 4186200 3930.6193 20394.5730 14505.9689 255.4081 -203742.1047 2891.0804 0.0000 0.0000 52353.4770 -109410.9780 300.8762 -161764.4550 -109040.2882 299.9294 54.1598 86.1079 760829.1853 -4.1191 -4.0094 PRESSURE: 4186400 304.256 254.145 -27.7393 254.145 -48.3777 92.3214 -27.7401 92.3217 143.181 GPRESSURE: 4186400 316.015 161.008 -36.0271 142.163 25.6041 -23.6576 -27.1818 40.7553 141.699 PRESSAVG: 4186400 18.8258 -11.6506 4.1285 -11.6506 -35.0084 3.31953 4.12854 3.31956 -10.787 GPRESSAVG: 4186400 18.6865 -12.0174 4.74681 -14.59 -34.2301 1.48696 3.35733 4.06315 -11.213 TIMING: 4186400 CPU: 13547.7, 0.0031193/step Wall: 13547.7, 0.0031193/step, 0.704961 hours remaining, 235.605469 MB of memory in use. ENERGY: 4186400 3922.2975 20590.7386 14502.6717 261.1473 -203279.8520 2710.1137 0.0000 0.0000 51978.0758 -109314.8073 298.7187 -161292.8832 -108947.1393 299.8887 133.0198 161.1061 761599.5368 -8.9899 -8.9189 PRESSURE: 4186600 228.568 26.9604 -241.69 26.9596 -394.436 29.8132 -241.69 29.8133 188.39 GPRESSURE: 4186600 251.222 25.3518 -270.999 -38.2271 -304.736 26.1404 -167.145 26.5664 156.075 PRESSAVG: 4186600 33.5753 -1.35817 34.7942 -1.35811 1.41452 -18.8702 34.7942 -18.8702 -10.5387 GPRESSAVG: 4186600 33.4824 -3.41149 35.4123 -0.00744717 0.779065 -18.3411 36.007 -18.9548 -10.1962 TIMING: 4186600 CPU: 13548.3, 0.00311405/step Wall: 13548.3, 0.00311405/step, 0.703601 hours remaining, 235.605469 MB of memory in use. ENERGY: 4186600 3991.1357 20522.8458 14450.1742 257.3561 -203029.5949 2289.2460 0.0000 0.0000 52161.4506 -109357.3865 299.7726 -161518.8371 -108998.0716 299.6220 7.5073 34.1871 760988.4316 8.1504 8.0218 PRESSURE: 4186800 -477.224 -166.122 -251.189 -166.122 59.6465 -72.8995 -251.19 -72.9007 -120.62 GPRESSURE: 4186800 -319.586 -101.917 -187.435 -4.20299 -63.6195 -0.9383 -241.817 -281.653 -87.2558 PRESSAVG: 4186800 -10.0597 -12.0299 0.727614 -12.0299 5.08424 -17.0255 0.727711 -17.0255 17.4408 GPRESSAVG: 4186800 -10.2918 -8.38434 -1.15878 -11.2203 5.34697 -15.721 2.32175 -17.9003 16.6807 TIMING: 4186800 CPU: 13548.9, 0.00312186/step Wall: 13548.9, 0.00312186/step, 0.705193 hours remaining, 235.605469 MB of memory in use. ENERGY: 4186800 4093.9217 20513.2644 14371.8668 243.2813 -203576.4913 2819.8809 0.0000 0.0000 52346.5615 -109187.7147 300.8364 -161534.2762 -108815.8857 299.6532 -179.3992 -156.8204 763266.4295 4.1551 3.9119 PRESSURE: 4187000 349.519 252.488 36.4951 252.488 -104.203 178.938 36.495 178.939 393.149 GPRESSURE: 4187000 296.625 161.71 38.0418 195.674 23.0813 225.221 -48.0857 193.397 391.961 PRESSAVG: 4187000 5.0374 2.75506 -14.5319 2.75501 -22.27 23.7016 -14.532 23.7016 11.3907 GPRESSAVG: 4187000 5.21413 0.780849 -14.545 5.37991 -22.9659 23.401 -16.1948 24.3643 11.5322 TIMING: 4187000 CPU: 13549.5, 0.0031122/step Wall: 13549.5, 0.0031122/step, 0.702838 hours remaining, 235.605469 MB of memory in use. ENERGY: 4187000 4074.2084 20564.7556 14386.6379 250.0613 -203775.3386 2841.6796 0.0000 0.0000 52377.0855 -109280.9103 301.0118 -161657.9958 -108915.9382 299.8674 212.8215 237.2224 762614.5454 -1.9473 -2.0732 PRESSURE: 4187200 -203.885 -226.525 -25.5328 -226.526 194.228 -80.4145 -25.5318 -80.4139 -132.362 GPRESSURE: 4187200 -202.709 -129.737 27.4606 -186.243 274.343 -150.729 -126.525 -110.528 -111.989 PRESSAVG: 4187200 18.6235 -27.9999 4.53214 -28 10.2968 -10.8622 4.53215 -10.8622 12.5223 GPRESSAVG: 4187200 18.3059 -29.7141 5.29853 -28.9752 11.4221 -11.5327 6.01629 -9.88429 11.3004 TIMING: 4187200 CPU: 13550.2, 0.00313667/step Wall: 13550.2, 0.00313666/step, 0.708189 hours remaining, 235.605469 MB of memory in use. ENERGY: 4187200 4037.2851 20629.3050 14430.5999 251.5860 -203593.3493 2784.8643 0.0000 0.0000 52079.9961 -109379.7130 299.3045 -161459.7091 -109020.2387 300.2066 -47.3399 -13.4519 761580.3078 13.8142 13.6761 PRESSURE: 4187400 86.1214 107.847 -36.6973 107.847 265.942 208.2 -36.6976 208.201 -77.4726 GPRESSURE: 4187400 85.5165 84.1201 -90.4784 174.374 390.586 267.818 37.4047 128.217 -111.471 PRESSAVG: 4187400 -5.47945 -30.2589 2.61228 -30.259 9.58678 -7.39976 2.6123 -7.39974 -6.17948 GPRESSAVG: 4187400 -5.01747 -27.5897 0.823296 -32.1146 9.00412 -6.78367 1.19421 -6.38618 -6.28802 TIMING: 4187400 CPU: 13550.8, 0.00311646/step Wall: 13550.8, 0.00311646/step, 0.703455 hours remaining, 235.605469 MB of memory in use. ENERGY: 4187400 3958.1127 20509.6215 14485.7920 258.6523 -203002.1521 2425.7335 0.0000 0.0000 51975.7998 -109388.4404 298.7056 -161364.2402 -109025.3124 299.0937 91.5304 121.5437 761348.4159 -0.6907 -0.7671 PRESSURE: 4187600 208.175 32.7702 -124.162 32.7695 486.35 64.0708 -124.162 64.0713 -174.894 GPRESSURE: 4187600 207.785 -81.6209 -123.736 54.6773 464.569 155.57 -126.133 83.005 -75.0211 PRESSAVG: 4187600 -2.84449 12.1572 35.5855 12.1572 -17.9374 -6.82546 35.5856 -6.82543 -7.58501 GPRESSAVG: 4187600 -3.71055 11.6341 37.9416 12.5769 -18.0928 -5.79741 34.9326 -8.49446 -6.15381 TIMING: 4187600 CPU: 13551.4, 0.00310486/step Wall: 13551.4, 0.00310486/step, 0.700664 hours remaining, 235.605469 MB of memory in use. ENERGY: 4187600 3973.0624 20592.5482 14502.5847 240.5153 -203417.7889 2653.9312 0.0000 0.0000 52140.9281 -109314.2191 299.6546 -161455.1472 -108955.8513 299.4704 173.2105 199.1109 759120.6624 -9.4556 -9.3190 PRESSURE: 4187800 -44.8594 -98.8401 10.5522 -98.8399 238.942 -33.8282 10.5519 -33.8272 57.5032 GPRESSURE: 4187800 62.7336 -111.541 -112.528 -65.9329 214.026 -79.4627 -67.2234 -29.1237 47.016 PRESSAVG: 4187800 -29.1939 -5.5837 -30.512 -5.58366 53.1737 -67.1825 -30.512 -67.1824 -4.2392 GPRESSAVG: 4187800 -29.5594 -5.66621 -32.9125 -4.57614 53.2647 -68.0474 -30.0512 -67.3157 -4.65106 TIMING: 4187800 CPU: 13552, 0.00311869/step Wall: 13552, 0.00311869/step, 0.70361 hours remaining, 235.605469 MB of memory in use. ENERGY: 4187800 3916.6378 20485.4689 14504.3366 238.3537 -203622.1817 2941.4284 0.0000 0.0000 52082.1144 -109453.8419 299.3166 -161535.9563 -109095.7580 299.3746 83.8618 107.9251 761522.7381 6.5802 6.3514 PRESSURE: 4188000 -11.1067 -123.257 -256.61 -123.257 355.969 -28.325 -256.61 -28.3255 -133.695 GPRESSURE: 4188000 87.7269 -13.5983 -210.08 -98.7568 300.479 -2.17776 -268.842 -58.6212 -87.282 PRESSAVG: 4188000 15.6273 -42.0442 22.9449 -42.0443 -6.28763 24.6735 22.9449 24.6734 -3.73218 GPRESSAVG: 4188000 16.6713 -41.79 24.7632 -42.3081 -7.7047 26.0665 22.9894 23.5444 -2.67776 TIMING: 4188000 CPU: 13552.7, 0.00311423/step Wall: 13552.7, 0.00311423/step, 0.702432 hours remaining, 235.605469 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: 4188000 3992.1914 20426.2862 14415.4234 258.2471 -203296.8340 2717.0980 0.0000 0.0000 51916.2115 -109571.3765 298.3632 -161487.5880 -109210.5805 298.7772 70.3892 100.3078 761237.6476 1.8692 2.0963 PRESSURE: 4188200 -378.466 -108.647 -139.551 -108.646 -473.897 -116.06 -139.551 -116.06 -27.6121 GPRESSURE: 4188200 -352.651 -197.925 -81.289 -27.2666 -398.986 -24.5904 -41.3031 -120.046 -49.571 PRESSAVG: 4188200 31.4038 9.19843 6.8197 9.19849 -5.03385 18.7193 6.81967 18.7193 -3.28135 GPRESSAVG: 4188200 29.9107 8.9319 5.2265 8.21782 -3.27777 18.2382 6.2256 19.474 -3.7073 TIMING: 4188200 CPU: 13553.3, 0.00312243/step Wall: 13553.3, 0.00312243/step, 0.704108 hours remaining, 235.605469 MB of memory in use. ENERGY: 4188200 4008.0496 20335.7244 14413.5335 246.8345 -203249.3994 2545.2464 0.0000 0.0000 51999.6507 -109700.3604 298.8427 -161700.0110 -109337.6229 298.7785 -293.3250 -267.0693 761334.2685 7.6962 7.6419 LDB: ============= START OF LOAD BALANCING ============== 13565.7 LDB: ============== END OF LOAD BALANCING =============== 13565.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13565.7 LDB: ============= START OF LOAD BALANCING ============== 13566 LDB: Largest compute 7059 load 0.031932 is 16.3% of average load 0.195583 LDB: Average compute 0.004386 is 2.2% of average load 0.195583 LDB: TIME 13566 LOAD: AVG 0.195583 MAX 0.21249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.363 MB LDB: TIME 13566 LOAD: AVG 0.195583 MAX 0.21249 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: TIME 13566 LOAD: AVG 0.195583 MAX 0.21249 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: ============== END OF LOAD BALANCING =============== 13566 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13566 PRESSURE: 4188400 -256.961 98.8535 -180.727 98.8524 75.4738 -157.066 -180.727 -157.066 -91.8804 GPRESSURE: 4188400 -218.457 176.766 -122.472 120.309 114.621 -111.13 -102.168 -228.13 -98.4107 PRESSAVG: 4188400 12.3262 46.8417 1.43176 46.8418 -5.85411 25.8856 1.43177 25.8856 -16.9525 GPRESSAVG: 4188400 13.3368 45.7252 1.52748 47.1989 -5.78813 27.4028 1.02601 26.0311 -17.2456 TIMING: 4188400 CPU: 13553.9, 0.00317322/step Wall: 13553.9, 0.00317322/step, 0.715384 hours remaining, 235.394531 MB of memory in use. ENERGY: 4188400 3940.8747 20403.2737 14453.8786 233.4009 -203037.9535 2326.9137 0.0000 0.0000 52255.0893 -109424.5228 300.3107 -161679.6120 -109061.0388 298.9366 -91.1224 -67.4155 760881.8439 -3.4935 -3.2323 PRESSURE: 4188600 53.0029 -210.601 -194.849 -210.601 294.588 -10.1092 -194.849 -10.1091 168.866 GPRESSURE: 4188600 86.8767 -149.261 -132.571 -112.678 292.256 -50.4042 -197.154 34.2017 200.108 PRESSAVG: 4188600 14.2399 29.0469 13.3231 29.0469 -56.74 -64.947 13.3231 -64.947 16.4838 GPRESSAVG: 4188600 15.0987 28.6956 14.292 31.577 -57.7041 -65.1048 16.1594 -67.7274 16.1292 TIMING: 4188600 CPU: 13554.5, 0.00312365/step Wall: 13554.5, 0.00312365/step, 0.704036 hours remaining, 235.652344 MB of memory in use. ENERGY: 4188600 3979.5918 20489.4669 14493.3995 267.2309 -203815.6837 3046.7732 0.0000 0.0000 52174.7707 -109364.4506 299.8491 -161539.2213 -109011.0310 299.3343 172.1525 193.0801 760332.6166 -8.6721 -8.8254 PRESSURE: 4188800 12.7994 -21.2518 -7.96886 -21.2529 -111.685 53.4052 -7.97012 53.4049 22.1566 GPRESSURE: 4188800 86.2889 81.5003 -21.6807 47.2409 -41.2452 97.177 -21.8266 57.2032 -25.2949 PRESSAVG: 4188800 1.46065 15.7636 10.1754 15.7636 -18.9709 -36.2555 10.1754 -36.2554 -8.78464 GPRESSAVG: 4188800 0.89496 19.076 9.32057 12.5816 -18.2029 -37.0588 8.09851 -34.7832 -8.90753 TIMING: 4188800 CPU: 13555.2, 0.00311857/step Wall: 13555.2, 0.00311857/step, 0.702718 hours remaining, 235.652344 MB of memory in use. ENERGY: 4188800 4008.1541 20615.3608 14417.4612 245.7304 -203015.9109 2467.6778 0.0000 0.0000 52202.7240 -109058.8028 300.0098 -161261.5267 -108702.3990 299.5041 -25.5762 6.5829 761947.4086 -8.7650 -8.7385 PRESSURE: 4189000 -124.288 25.1989 54.091 25.1978 46.9994 199.335 54.0917 199.335 3.88342 GPRESSURE: 4189000 -45.3385 63.8321 113.082 56.3079 66.7139 198.776 125.271 237.378 -9.79275 PRESSAVG: 4189000 24.8204 -18.9594 56.8557 -18.9594 5.58234 -8.38367 56.8558 -8.38372 7.36827 GPRESSAVG: 4189000 24.5463 -20.5743 56.1689 -17.6913 5.27315 -7.8336 57.4667 -8.1652 7.3053 TIMING: 4189000 CPU: 13555.8, 0.00312823/step Wall: 13555.8, 0.00312823/step, 0.70472 hours remaining, 235.652344 MB of memory in use. ENERGY: 4189000 4081.5339 20490.2780 14410.6316 271.7906 -203550.0227 2801.6062 0.0000 0.0000 52227.9077 -109266.2747 300.1545 -161494.1823 -108903.7835 299.8144 -24.4684 3.8609 761761.0922 12.5903 12.3749 PRESSURE: 4189200 6.82374 -176.949 315.719 -176.948 -71.3127 -19.6754 315.718 -19.6753 -398.613 GPRESSURE: 4189200 -22.2665 -143.298 295.129 -196.62 1.3949 -41.2649 167.832 37.5675 -353.538 PRESSAVG: 4189200 29.4469 2.08476 -2.93852 2.0848 16.5879 21.2319 -2.93848 21.2318 20.591 GPRESSAVG: 4189200 29.1423 3.09939 -2.44047 0.112031 15.8266 19.7597 -3.71621 18.4808 21.5528 TIMING: 4189200 CPU: 13556.4, 0.00313977/step Wall: 13556.4, 0.00313977/step, 0.707147 hours remaining, 235.652344 MB of memory in use. ENERGY: 4189200 4012.5071 20540.1966 14459.7572 254.2376 -202933.4334 2425.0833 0.0000 0.0000 52008.9237 -109232.7279 298.8960 -161241.6516 -108877.0101 299.6274 -154.3674 -124.8033 762317.5035 22.2086 22.1739 PRESSURE: 4189400 24.0558 -155.869 111.361 -155.869 65.3497 -91.9547 111.361 -91.9542 13.4316 GPRESSURE: 4189400 50.9188 -102.003 181.718 -20.3677 65.0013 -185.31 22.995 -96.5193 61.9269 PRESSAVG: 4189400 -19.5552 -27.0117 70.3789 -27.0117 9.78502 -28.5157 70.3789 -28.5157 -13.6528 GPRESSAVG: 4189400 -20.3389 -27.4295 71.6006 -25.193 11.2808 -28.844 67.5931 -26.2763 -14.7517 TIMING: 4189400 CPU: 13557, 0.00311877/step Wall: 13557, 0.00311877/step, 0.702243 hours remaining, 235.718750 MB of memory in use. ENERGY: 4189400 3927.7718 20399.7176 14475.5936 260.3803 -203400.9139 2788.8047 0.0000 0.0000 51925.9612 -109622.6847 298.4192 -161548.6459 -109258.6741 299.3314 34.2791 59.2823 760363.0247 -7.8076 -7.9366 PRESSURE: 4189600 141.923 220.945 -148.814 220.946 -45.5556 -48.0671 -148.814 -48.0668 -3.2191 GPRESSURE: 4189600 226.762 214.758 -38.3185 292.135 -48.7384 -22.4761 -81.4665 -24.1705 -4.63171 PRESSAVG: 4189600 18.2231 47.55 51.03 47.55 23.6468 -58.5685 51.0299 -58.5685 -2.36465 GPRESSAVG: 4189600 18.583 47.0202 51.1575 46.4507 22.9941 -57.5203 51.9308 -57.688 -2.48105 TIMING: 4189600 CPU: 13557.7, 0.00310975/step Wall: 13557.7, 0.00310975/step, 0.70004 hours remaining, 235.718750 MB of memory in use. ENERGY: 4189600 3932.7443 20371.0379 14488.1762 269.6386 -202972.8716 2472.7871 0.0000 0.0000 52145.4576 -109293.0300 299.6807 -161438.4876 -108930.8077 299.2011 31.0493 57.7972 761389.8664 13.1684 13.0320 PRESSURE: 4189800 109.397 11.1533 3.15251 11.1533 -369.344 -108.169 3.15252 -108.17 90.7194 GPRESSURE: 4189800 150.398 108.904 9.24031 -113.575 -368.514 -52.6719 -55.3381 -80.4034 137.623 PRESSAVG: 4189800 26.1204 40.1291 -14.9379 40.129 -27.3544 -43.4712 -14.9378 -43.4712 0.74187 GPRESSAVG: 4189800 25.5085 42.3162 -16.009 37.5604 -27.8295 -43.3315 -13.6092 -43.9354 1.79405 TIMING: 4189800 CPU: 13558.3, 0.00309863/step Wall: 13558.3, 0.00309863/step, 0.697364 hours remaining, 235.718750 MB of memory in use. ENERGY: 4189800 3992.6167 20406.9052 14471.5182 270.0184 -202639.5427 2186.1797 0.0000 0.0000 51976.5340 -109335.7706 298.7099 -161312.3046 -108989.0345 299.8412 -56.4091 -26.8311 760763.6864 -0.1640 -0.1757 PRESSURE: 4190000 157.766 116.028 -83.249 116.027 -532.559 50.8166 -83.2487 50.8173 -5.25904 GPRESSURE: 4190000 81.1815 57.2445 -34.6591 45.5958 -425.542 78.162 -80.4291 31.4103 62.1927 PRESSAVG: 4190000 11.784 -20.4358 55.61 -20.4358 -55.3374 -0.95217 55.61 -0.952192 3.80431 GPRESSAVG: 4190000 13.0193 -21.2878 54.375 -18.766 -55.8475 -3.3239 54.8972 0.279769 3.55193 TIMING: 4190000 CPU: 13558.9, 0.00311548/step Wall: 13558.9, 0.00311548/step, 0.700984 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4190000 3978.7637 20544.4001 14389.9559 253.2266 -203101.6019 2567.1638 0.0000 0.0000 51990.0948 -109377.9969 298.7878 -161368.0917 -109018.0813 299.1083 -126.6842 -94.0559 762694.0798 -13.2497 -13.0921 PRESSURE: 4190200 125.244 192.999 -23.3525 192.999 -389.101 54.8247 -23.3525 54.8259 -142.357 GPRESSURE: 4190200 117.913 150.757 -18.6349 177.744 -317.631 -40.4706 61.9208 -73.3132 -126.555 PRESSAVG: 4190200 14.8837 -18.2155 57.9931 -18.2155 -38.2514 -25.7118 57.993 -25.7118 5.88029 GPRESSAVG: 4190200 13.1772 -18.5941 58.5744 -16.4038 -37.1078 -23.5936 59.9946 -26.4065 6.23618 TIMING: 4190200 CPU: 13559.5, 0.00311916/step Wall: 13559.5, 0.00311916/step, 0.701637 hours remaining, 235.718750 MB of memory in use. ENERGY: 4190200 3901.5354 20518.6567 14471.3476 254.3471 -203476.6229 2638.1278 0.0000 0.0000 52396.7696 -109295.8387 301.1250 -161692.6083 -108928.3312 299.8199 -135.4046 -108.7576 762018.6266 -5.8291 -5.8981 PRESSURE: 4190400 64.3444 -78.5089 212.469 -78.509 -44.1665 -16.1985 212.47 -16.1987 184.769 GPRESSURE: 4190400 48.0561 -79.5147 215.596 -154.774 10.531 39.7512 150.695 72.1323 224.346 PRESSAVG: 4190400 52.7046 -36.3568 16.7289 -36.3568 -45.2822 -13.4129 16.7289 -13.4128 -7.66775 GPRESSAVG: 4190400 52.4175 -37.4396 16.504 -35.5047 -46.0962 -13.3534 14.9294 -15.6978 -7.46953 TIMING: 4190400 CPU: 13560.1, 0.00312892/step Wall: 13560.1, 0.00312892/step, 0.703658 hours remaining, 235.718750 MB of memory in use. ENERGY: 4190400 3947.9478 20632.6194 14505.2742 244.8365 -203216.1574 2526.7068 0.0000 0.0000 51954.5649 -109404.2078 298.5836 -161358.7727 -109039.4790 299.6369 68.3155 94.3112 761283.9639 -0.0818 -0.3828 PRESSURE: 4190600 21.1171 -153.837 -284.438 -153.838 170.518 -206.247 -284.438 -206.247 11.7708 GPRESSURE: 4190600 109.364 -173.895 -222.192 -213.405 284.625 -148.652 -274.42 -113.013 -96.8333 PRESSAVG: 4190600 -7.95286 -17.1077 -14.1311 -17.1077 21.2608 -13.4657 -14.131 -13.4657 15.4056 GPRESSAVG: 4190600 -8.11487 -16.9248 -13.618 -18.0648 21.1239 -14.4368 -14.0229 -10.1221 15.2992 TIMING: 4190600 CPU: 13560.8, 0.00311146/step Wall: 13560.8, 0.00311146/step, 0.699561 hours remaining, 235.718750 MB of memory in use. ENERGY: 4190600 4045.0015 20423.6040 14462.4968 243.2221 -203462.6976 2929.7612 0.0000 0.0000 52349.4128 -109009.1991 300.8528 -161358.6120 -108646.4440 299.6755 67.8019 99.0520 763240.4223 9.5712 9.4361 PRESSURE: 4190800 -153.89 -61.3209 92.2984 -61.3208 -118.679 3.81582 92.2978 3.81555 -283.184 GPRESSURE: 4190800 -73.5719 -39.413 113.063 -57.0058 -125.843 16.065 105.775 -35.1178 -271.333 PRESSAVG: 4190800 -9.56176 5.74653 9.46424 5.74653 49.3692 -30.105 9.4643 -30.105 16.921 GPRESSAVG: 4190800 -7.3744 6.76972 10.1668 3.52288 48.3414 -29.0505 8.76464 -32.2315 16.0575 TIMING: 4190800 CPU: 13561.4, 0.00312399/step Wall: 13561.4, 0.00312399/step, 0.702203 hours remaining, 235.718750 MB of memory in use. ENERGY: 4190800 4119.1037 20636.5433 14483.8042 260.5200 -203248.9397 2613.3189 0.0000 0.0000 52138.3262 -108997.3233 299.6397 -161135.6495 -108634.1620 300.1815 -185.2511 -156.9160 763031.7685 18.9095 19.0082 PRESSURE: 4191000 37.2618 12.7939 58.8928 12.794 -199.631 38.5391 58.8929 38.5389 -73.1005 GPRESSURE: 4191000 52.4257 66.5878 90.1266 -39.4764 -169.174 61.2879 120.539 48.4821 -39.839 PRESSAVG: 4191000 20.5621 6.71742 -6.69373 6.71734 -41.5772 -29.8465 -6.69373 -29.8466 29.5867 GPRESSAVG: 4191000 19.5068 8.48976 -5.73871 6.9061 -40.0753 -28.8313 -5.98117 -31.2452 29.4649 TIMING: 4191000 CPU: 13562, 0.00313613/step Wall: 13562, 0.00313613/step, 0.704759 hours remaining, 235.718750 MB of memory in use. ENERGY: 4191000 3989.2433 20715.4055 14452.8561 236.9351 -203412.4054 2721.6856 0.0000 0.0000 52332.2814 -108963.9984 300.7543 -161296.2798 -108596.8117 300.6032 -78.4898 -52.1959 762815.0492 2.8572 2.9655 PRESSURE: 4191200 -126.681 -184.688 287.962 -184.688 -109.432 -52.9348 287.962 -52.9351 -93.9483 GPRESSURE: 4191200 -60.2086 -190.809 227.421 -178.829 -69.511 45.1783 146.634 45.9118 -127.502 PRESSAVG: 4191200 -54.345 -35.5719 -8.75856 -35.5719 51.1736 2.75141 -8.75856 2.75141 -9.28472 GPRESSAVG: 4191200 -54.7759 -37.5929 -10.1423 -34.5427 51.1331 1.74551 -8.15977 5.85517 -8.85678 TIMING: 4191200 CPU: 13562.6, 0.00312587/step Wall: 13562.6, 0.00312587/step, 0.702279 hours remaining, 235.718750 MB of memory in use. ENERGY: 4191200 4031.9504 20603.1429 14489.6433 242.7714 -203028.6813 2496.8907 0.0000 0.0000 52178.6339 -108985.6487 299.8713 -161164.2826 -108621.5255 300.0871 -110.0204 -85.7407 761580.5942 -4.1521 -4.1665 PRESSURE: 4191400 -114.309 101.765 175.178 101.764 -253.931 23.3574 175.178 23.3579 -276.481 GPRESSURE: 4191400 -89.458 7.61171 174.164 103.444 -261.703 41.0335 239.327 -62.8863 -217.403 PRESSAVG: 4191400 3.02595 -23.7032 33.4653 -23.7032 -34.5271 20.5591 33.4653 20.5591 -10.1695 GPRESSAVG: 4191400 3.76087 -24.4677 33.9489 -23.4517 -33.6747 20.5791 31.4067 18.357 -11.3397 TIMING: 4191400 CPU: 13563.3, 0.00312506/step Wall: 13563.3, 0.00312506/step, 0.701922 hours remaining, 235.718750 MB of memory in use. ENERGY: 4191400 3898.5188 20656.3073 14467.0545 254.7140 -203143.4641 2589.6748 0.0000 0.0000 52141.8026 -109135.3921 299.6597 -161277.1947 -108773.1319 300.0621 -214.9071 -189.5212 762104.2084 -13.8902 -13.7512 PRESSURE: 4191600 76.9649 26.1192 -108.978 26.119 214.469 -205.383 -108.979 -205.383 232.336 GPRESSURE: 4191600 76.5419 -20.8059 -124.592 13.8493 272.331 -234.855 -27.0439 -226.658 256.749 PRESSAVG: 4191600 1.75526 -4.89553 0.0613366 -4.89552 23.8338 42.2006 0.0612953 42.2006 11.2496 GPRESSAVG: 4191600 2.27391 -4.69322 -0.608928 -4.45292 23.4925 42.3454 2.33567 42.3015 11.5066 TIMING: 4191600 CPU: 13563.9, 0.0031284/step Wall: 13563.9, 0.0031284/step, 0.702499 hours remaining, 235.718750 MB of memory in use. ENERGY: 4191600 3986.0871 20575.7484 14527.4672 238.3661 -203020.2406 2366.4200 0.0000 0.0000 52130.7683 -109195.3835 299.5962 -161326.1518 -108830.3560 299.9676 174.5902 201.8740 760695.1576 12.2796 12.4243 PRESSURE: 4191800 132.735 -103.863 119.247 -103.862 -56.3051 -3.5515 119.247 -3.55135 161.674 GPRESSURE: 4191800 139.811 -71.1307 8.12167 -67.6497 -18.9324 -30.377 82.579 44.7113 214.967 PRESSAVG: 4191800 -14.4011 13.9579 3.64535 13.9579 46.9738 -37.2472 3.64532 -37.2473 -6.67008 GPRESSAVG: 4191800 -14.5823 13.9011 1.98538 13.612 46.1896 -38.664 4.69851 -38.9285 -5.97252 TIMING: 4191800 CPU: 13564.5, 0.00313601/step Wall: 13564.5, 0.00313601/step, 0.704033 hours remaining, 235.718750 MB of memory in use. ENERGY: 4191800 4003.0725 20588.9453 14413.7008 251.2511 -203452.7999 2649.6420 0.0000 0.0000 52330.5756 -109215.6127 300.7445 -161546.1882 -108849.7850 299.7978 79.3681 111.9486 759998.8431 8.6342 8.5449 PRESSURE: 4192000 -165.418 -119.227 121.063 -119.226 -177.294 -80.2131 121.062 -80.2131 79.6116 GPRESSURE: 4192000 -186.957 -34.6801 -0.665357 28.3837 -54.5762 -49.9505 176.786 3.33556 61.9502 PRESSAVG: 4192000 7.6462 -17.9168 19.6383 -17.9168 2.22652 -34.3794 19.6383 -34.3793 4.3351 GPRESSAVG: 4192000 7.24475 -16.4396 21.1286 -17.997 2.52743 -34.3561 18.2343 -31.2621 4.45431 TIMING: 4192000 CPU: 13565.2, 0.00312605/step Wall: 13565.2, 0.00312605/step, 0.701626 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4192000 3946.8519 20572.7747 14553.5645 239.9037 -202889.2891 2412.0267 0.0000 0.0000 52104.0518 -109060.1158 299.4427 -161164.1676 -108692.0943 299.9079 -87.7002 -59.8611 762238.1750 4.7359 4.7422 PRESSURE: 4192200 -0.884472 -215.024 -25.814 -215.024 -61.3672 -320.172 -25.8147 -320.172 -375.659 GPRESSURE: 4192200 30.2031 -140.281 28.9811 -161.652 -102.699 -321.466 -25.6203 -310.197 -287.638 PRESSAVG: 4192200 5.28699 -35.2722 -3.47907 -35.2722 -16.8852 -13.1212 -3.47908 -13.1213 -10.9563 GPRESSAVG: 4192200 6.3251 -37.0691 -2.19607 -35.783 -16.6271 -12.6754 -5.05843 -13.0079 -11.4457 TIMING: 4192200 CPU: 13565.8, 0.00314458/step Wall: 13565.8, 0.00314458/step, 0.705609 hours remaining, 235.718750 MB of memory in use. ENERGY: 4192200 3973.8850 20492.7320 14437.2349 230.8317 -203309.9632 2656.0353 0.0000 0.0000 52172.5426 -109346.7017 299.8363 -161519.2443 -108974.6693 299.2566 -145.9702 -120.0446 763056.8627 -7.5182 -7.2492 LDB: ============= START OF LOAD BALANCING ============== 13578.2 LDB: ============== END OF LOAD BALANCING =============== 13578.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13578.2 LDB: ============= START OF LOAD BALANCING ============== 13578.5 LDB: Largest compute 7038 load 0.032512 is 16.6% of average load 0.195636 LDB: Average compute 0.004387 is 2.2% of average load 0.195636 LDB: TIME 13578.5 LOAD: AVG 0.195636 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 13578.5 LOAD: AVG 0.195636 MAX 0.214348 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 13578.5 LOAD: AVG 0.195636 MAX 0.214348 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 13578.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13578.5 PRESSURE: 4192400 -9.16224 -108.742 -101.244 -108.742 205.793 91.1198 -101.244 91.1202 -155.721 GPRESSURE: 4192400 -0.646288 -36.9624 -124.673 -107.959 178.599 88.4077 -153.649 40.5488 -61.2443 PRESSAVG: 4192400 29.5587 -13.1725 10.0278 -13.1726 -11.6202 -36.2458 10.0278 -36.2457 7.20133 GPRESSAVG: 4192400 30.027 -10.5573 8.11487 -14.0852 -12.2845 -35.7628 11.6187 -37.0265 7.63797 TIMING: 4192400 CPU: 13566.4, 0.00318693/step Wall: 13566.4, 0.00318693/step, 0.714935 hours remaining, 235.070312 MB of memory in use. ENERGY: 4192400 4012.8528 20460.2344 14461.6957 245.0109 -203351.2208 2716.1709 0.0000 0.0000 52066.9805 -109388.2756 299.2297 -161455.2560 -109022.0705 299.3328 13.6365 38.9029 761108.0087 8.3799 8.4602 PRESSURE: 4192600 -376.281 -192.134 -66.0364 -192.134 -10.904 -300.254 -66.0354 -300.254 -505.239 GPRESSURE: 4192600 -295.731 -184.746 -49.9325 -168.757 53.1731 -285.78 -173.056 -224.105 -572.98 PRESSAVG: 4192600 25.9836 -11.5665 -53.2454 -11.5665 -5.88721 -41.1678 -53.2454 -41.168 10.1754 GPRESSAVG: 4192600 26.7214 -14.5928 -52.3614 -10.9931 -5.24786 -40.8115 -55.0281 -39.2136 8.99645 TIMING: 4192600 CPU: 13567, 0.00311721/step Wall: 13567, 0.00311721/step, 0.699121 hours remaining, 235.070312 MB of memory in use. ENERGY: 4192600 3982.9575 20588.1572 14475.8405 229.0790 -203635.2018 2762.2337 0.0000 0.0000 52092.4509 -109504.4830 299.3760 -161596.9339 -109143.8915 299.3471 -297.4747 -271.8461 762783.8613 10.0906 10.1567 PRESSURE: 4192800 233.047 4.44285 123.075 4.44255 37.3396 22.0708 123.075 22.0718 316.376 GPRESSURE: 4192800 178.628 131.181 127.078 -90.5726 136.643 61.9896 166.864 -1.44279 354.345 PRESSAVG: 4192800 43.2734 -52.4155 -39.0859 -52.4154 -2.65937 -11.6121 -39.0859 -11.6121 -38.7297 GPRESSAVG: 4192800 41.4907 -50.9038 -39.3022 -52.1068 -1.96821 -12.517 -38.3808 -14.93 -37.5504 TIMING: 4192800 CPU: 13567.7, 0.0031109/step Wall: 13567.7, 0.0031109/step, 0.697532 hours remaining, 235.070312 MB of memory in use. ENERGY: 4192800 3856.1737 20497.5767 14490.6862 248.6077 -203244.2959 2522.8687 0.0000 0.0000 52106.7503 -109521.6326 299.4582 -161628.3829 -109157.1655 298.7553 195.5874 223.2052 760317.0435 0.6281 0.6574 PRESSURE: 4193000 8.372 239.179 -243.077 239.178 -494.357 16.3134 -243.078 16.3138 -278.708 GPRESSURE: 4193000 46.802 245.639 -219.354 241.899 -531.422 94.8347 -65.793 -93.7749 -199.877 PRESSAVG: 4193000 31.8226 -8.7137 -2.26579 -8.71365 -22.8081 -17.2188 -2.26578 -17.2188 20.59 GPRESSAVG: 4193000 32.847 -8.475 -2.2983 -7.88893 -24.0239 -16.6903 -0.796176 -17.061 20.6544 TIMING: 4193000 CPU: 13568.3, 0.00312368/step Wall: 13568.3, 0.00312368/step, 0.700226 hours remaining, 235.070312 MB of memory in use. ENERGY: 4193000 4003.9249 20625.6809 14537.7480 248.9535 -203343.9860 2505.2002 0.0000 0.0000 52138.6579 -109283.8206 299.6416 -161422.4785 -108938.0564 299.4363 -254.8979 -228.1654 762046.4946 9.8682 9.8258 PRESSURE: 4193200 -167.786 16.0031 -345.154 16.0039 -193.934 -82.1327 -345.154 -82.1333 -109.19 GPRESSURE: 4193200 -239.512 -20.308 -375.407 14.746 -92.139 -24.9016 -136.226 -173.469 -42.7401 PRESSAVG: 4193200 8.15664 7.5893 0.0113962 7.58932 1.31512 2.77345 0.0114425 2.77351 0.0648693 GPRESSAVG: 4193200 7.37792 7.70605 0.897263 5.5317 2.20973 2.35076 -2.12059 3.78168 0.318246 TIMING: 4193200 CPU: 13568.9, 0.00311535/step Wall: 13568.9, 0.00311535/step, 0.698184 hours remaining, 235.070312 MB of memory in use. ENERGY: 4193200 4026.7341 20472.1549 14488.9889 242.0209 -203004.1622 2585.7463 0.0000 0.0000 51791.7372 -109396.7798 297.6478 -161188.5170 -109030.9549 299.2100 -156.9701 -124.7972 763424.3558 3.1789 3.3020 PRESSURE: 4193400 28.7301 -90.9802 128.502 -90.9797 -236.297 50.8587 128.503 50.8583 42.7229 GPRESSURE: 4193400 51.5648 8.46889 73.0363 -94.6543 -223.966 -65.0398 136.355 80.5364 96.4927 PRESSAVG: 4193400 9.14685 -9.84027 14.953 -9.84031 -0.601807 8.42188 14.953 8.42178 -13.498 GPRESSAVG: 4193400 9.44127 -9.6642 14.4544 -9.87574 -1.85502 7.73776 15.3443 8.09372 -13.2957 TIMING: 4193400 CPU: 13569.5, 0.00313267/step Wall: 13569.5, 0.00313267/step, 0.701893 hours remaining, 235.070312 MB of memory in use. ENERGY: 4193400 3982.2020 20315.0511 14470.1635 237.2216 -203197.3598 2629.4271 0.0000 0.0000 52122.9464 -109440.3482 299.5513 -161563.2946 -109066.8969 299.2087 -54.9479 -25.3027 762177.1002 -1.6510 -1.9031 PRESSURE: 4193600 182.874 -99.7301 -180.796 -99.7306 222.058 16.9134 -180.797 16.9132 203.331 GPRESSURE: 4193600 290.632 -93.38 -161.738 -78.1943 267.97 42.0444 -125.794 36.2423 118.378 PRESSAVG: 4193600 1.51501 3.70814 -16.1919 3.70806 -0.0653858 0.911057 -16.1918 0.911048 11.499 GPRESSAVG: 4193600 1.12659 2.28651 -14.3404 4.93204 0.989737 1.78836 -17.589 0.411621 11.456 TIMING: 4193600 CPU: 13570.2, 0.00311643/step Wall: 13570.2, 0.00311643/step, 0.698081 hours remaining, 235.070312 MB of memory in use. ENERGY: 4193600 4049.8282 20381.5069 14478.9462 264.0102 -203446.6369 2791.9889 0.0000 0.0000 52016.7853 -109463.5711 298.9412 -161480.3565 -109097.4792 299.1809 202.7544 225.6599 761255.2709 4.3162 4.5241 PRESSURE: 4193800 -158.622 -67.972 54.5336 -67.9715 265.538 -93.2851 54.5329 -93.2851 -62.1819 GPRESSURE: 4193800 -3.81791 -5.26465 53.099 -0.357913 146.852 -178.314 42.5449 -131.791 -31.0389 PRESSAVG: 4193800 -3.8182 -4.76756 7.41005 -4.76755 -35.7219 -26.6139 7.41001 -26.6138 -6.23091 GPRESSAVG: 4193800 -4.46004 -5.05891 5.98235 -4.81833 -36.4745 -27.4609 6.77986 -25.8969 -5.29443 TIMING: 4193800 CPU: 13570.8, 0.00311117/step Wall: 13570.8, 0.00311117/step, 0.696728 hours remaining, 235.140625 MB of memory in use. ENERGY: 4193800 3968.6343 20522.1264 14470.0938 268.9863 -203144.1302 2667.9396 0.0000 0.0000 51874.1898 -109372.1601 298.1217 -161246.3499 -109010.8379 298.9613 14.9113 37.3317 763311.6324 -15.2570 -15.4097 PRESSURE: 4194000 97.7243 170.852 80.6108 170.852 -8.04259 215.009 80.6106 215.01 -5.18409 GPRESSURE: 4194000 165.552 105.657 100.518 266.602 48.2977 174.997 183.226 89.0435 -48.4656 PRESSAVG: 4194000 18.8921 -0.0682922 -24.663 -0.0683823 -11.8103 6.13398 -24.663 6.134 -3.4376 GPRESSAVG: 4194000 20.0178 -0.591919 -24.0763 0.973669 -11.0718 6.80926 -24.231 5.29663 -5.30575 TIMING: 4194000 CPU: 13571.4, 0.00310942/step Wall: 13571.4, 0.00310942/step, 0.696165 hours remaining, 235.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4194000 3985.1837 20502.1296 14421.0155 245.5961 -203311.5881 2594.6538 0.0000 0.0000 51945.3697 -109617.6398 298.5308 -161563.0095 -109257.0176 298.4806 28.1659 55.1280 762004.0103 1.2147 1.2134 PRESSURE: 4194200 148.657 -206.062 -88.4921 -206.062 140.975 187.423 -88.4933 187.423 -200.821 GPRESSURE: 4194200 190.014 -276.287 -101.107 -157.526 169.891 134.128 -82.4259 156.143 -204.743 PRESSAVG: 4194200 -10.8334 43.9439 63.5053 43.9439 -8.01821 13.2697 63.5053 13.2697 10.9288 GPRESSAVG: 4194200 -10.4521 43.5701 62.6964 43.6984 -8.94096 13.1157 63.8611 13.8829 11.8985 TIMING: 4194200 CPU: 13572, 0.00309997/step Wall: 13572, 0.00309997/step, 0.693878 hours remaining, 235.140625 MB of memory in use. ENERGY: 4194200 4024.5939 20502.3635 14485.4675 249.9383 -203534.5186 2590.7665 0.0000 0.0000 52194.8585 -109486.5303 299.9646 -161681.3889 -109128.3194 298.8567 29.6040 51.7209 759632.4013 -2.6409 -2.4982 PRESSURE: 4194400 89.31 113.852 -76.9018 113.854 -40.4854 66.2127 -76.9027 66.2131 90.1863 GPRESSURE: 4194400 34.4282 204.263 -41.2768 142.981 4.58258 -12.3443 -102.607 89.0337 190.999 PRESSAVG: 4194400 94.5291 -3.86193 -11.3189 -3.86192 -47.8939 40.4409 -11.3189 40.4409 -13.9282 GPRESSAVG: 4194400 93.1643 -2.87515 -11.2842 -3.58195 -46.8925 40.3935 -10.4544 41.0847 -13.5614 TIMING: 4194400 CPU: 13572.6, 0.00309814/step Wall: 13572.6, 0.00309814/step, 0.693295 hours remaining, 235.140625 MB of memory in use. ENERGY: 4194400 3963.7043 20540.9164 14490.1958 251.0212 -202896.2517 2561.5977 0.0000 0.0000 51911.5038 -109177.3126 298.3361 -161088.8164 -108816.4705 299.4608 46.3370 76.6700 761638.5969 10.9023 10.9034 PRESSURE: 4194600 64.6325 141.74 224.817 141.741 194.426 -208.737 224.818 -208.737 52.2645 GPRESSURE: 4194600 165.87 148.843 246.165 157.991 167.443 -227.162 224.806 -180.631 66.3093 PRESSAVG: 4194600 54.061 34.3643 4.31024 34.3643 -62.7431 36.4253 4.31024 36.4253 -17.4045 GPRESSAVG: 4194600 54.84 35.7341 3.55072 31.0936 -63.9732 35.738 3.40312 35.0483 -17.3284 TIMING: 4194600 CPU: 13573.3, 0.00310222/step Wall: 13573.3, 0.00310222/step, 0.694037 hours remaining, 235.140625 MB of memory in use. ENERGY: 4194600 4091.0786 20432.8995 14514.3463 253.6892 -203611.7152 3000.5822 0.0000 0.0000 52202.4891 -109116.6304 300.0084 -161319.1195 -108753.6175 299.6704 103.7744 133.2074 760656.0631 -8.6955 -8.8205 PRESSURE: 4194800 -206.148 6.19294 3.72734 6.19284 234.779 -71.3891 3.72725 -71.3901 91.7494 GPRESSURE: 4194800 -184.657 -74.0875 74.8054 -51.6814 255.537 25.0128 97.9653 -112.915 133.71 PRESSAVG: 4194800 28.8239 42.5148 -4.59823 42.5148 -55.2617 36.304 -4.59828 36.3041 -4.99336 GPRESSAVG: 4194800 29.0315 40.9566 -3.01214 42.8267 -55.1056 37.1385 -1.61118 38.3092 -5.42105 TIMING: 4194800 CPU: 13573.9, 0.00310003/step Wall: 13573.9, 0.00310003/step, 0.693374 hours remaining, 235.140625 MB of memory in use. ENERGY: 4194800 4018.0537 20490.0949 14460.9848 257.8608 -203354.8962 2651.3608 0.0000 0.0000 52256.3990 -109220.1421 300.3182 -161476.5411 -108862.2799 299.7782 40.1267 68.1965 760866.6957 -10.4770 -10.4984 PRESSURE: 4195000 -63.5041 -45.5241 291.764 -45.5235 -304.273 -91.4577 291.764 -91.4575 -86.4171 GPRESSURE: 4195000 -225.369 -178.795 297.021 50.5439 -101.814 -147.954 116.001 -161.358 -49.2889 PRESSAVG: 4195000 -33.8971 23.4696 26.1021 23.4696 -2.20043 2.51619 26.1021 2.51617 3.15432 GPRESSAVG: 4195000 -34.2865 24.5409 26.2714 25.1912 -0.805039 1.28671 22.2496 1.8586 1.9476 TIMING: 4195000 CPU: 13574.5, 0.00310246/step Wall: 13574.5, 0.00310246/step, 0.693744 hours remaining, 235.140625 MB of memory in use. ENERGY: 4195000 3972.3349 20597.6317 14519.4223 245.5525 -203175.7647 2430.6089 0.0000 0.0000 52207.9156 -109202.2988 300.0396 -161410.2144 -108838.1929 299.6558 -151.3980 -125.4907 761423.1154 -10.9811 -11.0480 PRESSURE: 4195200 -144.935 167.652 -108.541 167.652 -45.4896 160.202 -108.54 160.203 -146.026 GPRESSURE: 4195200 -95.4501 183.819 -44.4541 136.265 -52.833 85.4158 -175.527 170.728 -111.065 PRESSAVG: 4195200 -20.5473 40.6428 -5.92735 40.6428 4.44938 11.3525 -5.92732 11.3525 -17.1318 GPRESSAVG: 4195200 -21.1173 38.8169 -7.54303 40.1065 3.10445 12.2076 -5.85603 10.9252 -15.4105 TIMING: 4195200 CPU: 13575.1, 0.00311/step Wall: 13575.1, 0.00311/step, 0.695258 hours remaining, 235.140625 MB of memory in use. ENERGY: 4195200 3960.7280 20526.8092 14511.0611 257.4735 -203403.9616 2708.1868 0.0000 0.0000 52149.8309 -109289.8721 299.7058 -161439.7030 -108917.3051 299.6522 -112.1501 -86.4494 762549.4586 -11.0766 -11.1411 PRESSURE: 4195400 -415.802 213.979 3.53143 213.978 -23.6137 214.545 3.53051 214.546 -326.915 GPRESSURE: 4195400 -209.73 189.327 59.1437 271.739 -164.575 132.623 31.2983 220.472 -306.614 PRESSAVG: 4195400 26.6275 6.38917 -42.9075 6.38914 -20.3102 -50.5939 -42.9075 -50.5939 1.56589 GPRESSAVG: 4195400 27.1406 8.10422 -43.5365 6.06885 -19.4374 -50.9881 -41.1936 -51.3082 0.699919 TIMING: 4195400 CPU: 13575.8, 0.00311331/step Wall: 13575.8, 0.00311331/step, 0.695825 hours remaining, 235.140625 MB of memory in use. ENERGY: 4195400 4014.7535 20719.0267 14398.4238 230.7008 -203317.3430 2437.1918 0.0000 0.0000 52192.4331 -109324.8132 299.9506 -161517.2463 -108949.8006 299.3941 -255.4438 -226.9730 761755.8246 2.6277 2.8010 PRESSURE: 4195600 -5.08343 56.0627 -22.8754 56.0629 -341.058 7.39297 -22.8763 7.39216 80.6353 GPRESSURE: 4195600 75.9324 -25.764 -145.007 -25.1642 -295.351 75.6722 8.04278 -110.483 47.5641 PRESSAVG: 4195600 24.8946 60.4284 -12.7354 60.4284 -42.2454 -27.6576 -12.7354 -27.6576 3.53228 GPRESSAVG: 4195600 24.2982 58.415 -12.4687 59.9251 -41.3607 -28.3117 -12.6255 -26.5088 2.95344 TIMING: 4195600 CPU: 13576.4, 0.00311428/step Wall: 13576.4, 0.00311428/step, 0.695868 hours remaining, 235.140625 MB of memory in use. ENERGY: 4195600 4065.6097 20734.3714 14427.1834 245.1058 -203492.0381 2770.9975 0.0000 0.0000 51958.2783 -109290.4921 298.6049 -161248.7704 -108922.1448 299.7545 -88.5020 -57.2847 762745.9132 -4.6062 -4.7030 PRESSURE: 4195800 107.015 68.5113 337.953 68.5105 -321.432 -1.79897 337.953 -1.79988 -50.7876 GPRESSURE: 4195800 124.381 11.4668 320.762 91.7764 -248.606 54.7418 330.633 -145.172 -45.8635 PRESSAVG: 4195800 52.3821 19.8117 44.4831 19.8117 -56.8107 12.7735 44.483 12.7735 -18.4688 GPRESSAVG: 4195800 53.1571 21.476 45.0728 20.0948 -58.0361 12.7468 43.0098 11.707 -18.1064 TIMING: 4195800 CPU: 13577, 0.00310687/step Wall: 13577, 0.00310687/step, 0.69404 hours remaining, 235.140625 MB of memory in use. ENERGY: 4195800 3955.1898 20594.2614 14506.1469 245.7946 -203315.4812 2381.5903 0.0000 0.0000 52186.3981 -109446.1000 299.9159 -161632.4981 -109089.2379 299.1190 -88.4018 -56.6960 762902.0555 -7.6325 -7.6618 PRESSURE: 4196000 -74.872 -141.816 60.7094 -141.816 109.27 -47.4662 60.7089 -47.4662 -207.009 GPRESSURE: 4196000 21.3237 -157.487 21.177 -44.2971 97.8601 -87.2208 -15.7347 -196.096 -206.034 PRESSAVG: 4196000 5.10989 53.7639 -13.3817 53.7638 -29.2373 23.6913 -13.3817 23.6914 7.10874 GPRESSAVG: 4196000 4.64471 54.6323 -12.1071 55.0155 -29.3752 24.6407 -15.3006 22.8953 7.6106 TIMING: 4196000 CPU: 13577.6, 0.00311338/step Wall: 13577.6, 0.00311338/step, 0.695321 hours remaining, 235.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4196000 4061.9229 20392.5738 14468.4307 258.9158 -203281.4053 2487.2434 0.0000 0.0000 52061.8813 -109550.4374 299.2003 -161612.3187 -109174.1329 299.0330 -57.5371 -28.9501 762093.3607 -5.6729 -5.7066 PRESSURE: 4196200 -80.584 -104.662 -253.057 -104.662 -231.959 101.962 -253.057 101.962 148.774 GPRESSURE: 4196200 -89.486 -43.2217 -170.851 -34.5955 -108.219 155.464 -263.866 83.2921 141.761 PRESSAVG: 4196200 26.503 -1.75265 -72.5188 -1.75263 -4.42464 -6.26934 -72.5188 -6.26934 1.52277 GPRESSAVG: 4196200 26.2507 -3.02765 -74.7147 -1.71045 -4.77274 -7.00235 -68.7724 -4.39741 1.3184 TIMING: 4196200 CPU: 13578.2, 0.00311096/step Wall: 13578.2, 0.00311096/step, 0.694609 hours remaining, 235.140625 MB of memory in use. ENERGY: 4196200 4046.4153 20490.7520 14502.2405 253.8571 -203810.7596 2855.0613 0.0000 0.0000 52098.9778 -109563.4556 299.4135 -161662.4335 -109204.9251 298.9621 -54.5896 -18.6480 760474.0147 7.8671 7.5988 LDB: ============= START OF LOAD BALANCING ============== 13590.7 LDB: ============== END OF LOAD BALANCING =============== 13590.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13590.7 LDB: ============= START OF LOAD BALANCING ============== 13591 LDB: Largest compute 7038 load 0.033444 is 17.1% of average load 0.195611 LDB: Average compute 0.004398 is 2.2% of average load 0.195611 LDB: TIME 13591 LOAD: AVG 0.195611 MAX 0.212901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.66 MB LDB: TIME 13591 LOAD: AVG 0.195611 MAX 0.212901 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: TIME 13591 LOAD: AVG 0.195611 MAX 0.212901 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: ============== END OF LOAD BALANCING =============== 13591 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13591 PRESSURE: 4196400 -144.671 -90.1926 106.541 -90.1942 52.2794 10.587 106.541 10.5867 -160.993 GPRESSURE: 4196400 -48.9261 -226.38 50.6923 -114.877 101.928 -2.36897 153.345 -8.49073 -226.2 PRESSAVG: 4196400 5.01579 19.0522 -35.7322 19.0522 0.0913873 -36.5377 -35.7322 -36.5376 -19.7274 GPRESSAVG: 4196400 4.91363 20.1282 -35.9841 17.7617 0.741258 -37.0417 -35.0032 -36.7339 -19.6026 TIMING: 4196400 CPU: 13578.9, 0.00318117/step Wall: 13578.9, 0.00318117/step, 0.710109 hours remaining, 235.183594 MB of memory in use. ENERGY: 4196400 4042.7717 20490.7775 14433.5206 248.7407 -203704.4022 2736.5645 0.0000 0.0000 52100.2585 -109651.7685 299.4209 -161752.0271 -109277.5020 298.8984 -84.4617 -57.7327 759551.4120 -4.8734 -4.6492 PRESSURE: 4196600 -264.146 200.188 3.38807 200.188 -401.603 40.2766 3.38722 40.2762 193.079 GPRESSURE: 4196600 -244.311 204.167 12.5885 144.095 -288.147 34.2333 -38.1904 -11.388 129.817 PRESSAVG: 4196600 -6.82888 13.9934 -0.0817831 13.9933 -13.596 -0.804962 -0.0817918 -0.80502 18.9611 GPRESSAVG: 4196600 -8.50093 13.9387 3.4412 14.8062 -12.2128 1.71936 -2.46249 -0.500432 19.095 TIMING: 4196600 CPU: 13579.5, 0.00312123/step Wall: 13579.5, 0.00312123/step, 0.696554 hours remaining, 235.183594 MB of memory in use. ENERGY: 4196600 4002.1950 20749.0040 14519.5598 245.1622 -203910.3117 2771.2762 0.0000 0.0000 51979.1473 -109643.9672 298.7249 -161623.1146 -109294.2683 298.9368 -157.5567 -134.2136 761422.8886 -0.4879 -0.5396 PRESSURE: 4196800 274.67 -24.7648 -216.638 -24.765 29.3155 66.0024 -216.639 66.0017 343.774 GPRESSURE: 4196800 350.779 -83.0551 -216.225 -69.886 80.8546 27.1475 -221.287 -27.5894 293.583 PRESSAVG: 4196800 3.05103 -3.38122 -20.7964 -3.38116 -29.9989 -32.4088 -20.7964 -32.4088 3.89644 GPRESSAVG: 4196800 4.14374 -6.13209 -23.9503 -3.02626 -31.2432 -32.2636 -21.8904 -33.3999 3.93298 TIMING: 4196800 CPU: 13580.1, 0.0031253/step Wall: 13580.1, 0.0031253/step, 0.697289 hours remaining, 235.324219 MB of memory in use. ENERGY: 4196800 4075.0288 20485.2022 14484.2424 248.1644 -203771.9899 2928.6308 0.0000 0.0000 52244.9947 -109305.7266 300.2527 -161550.7213 -108931.8497 299.3309 215.9199 241.7388 760757.9648 -7.6838 -7.7222 PRESSURE: 4197000 -193.376 91.4887 -115.042 91.4889 -340.197 105.83 -115.042 105.831 344.13 GPRESSURE: 4197000 -107.997 -14.838 -49.223 56.2965 -332.551 100.902 -89.3512 203.044 357.61 PRESSAVG: 4197000 -2.29739 -6.68684 -11.5287 -6.68684 -38.6457 5.22787 -11.5287 5.22784 -8.71674 GPRESSAVG: 4197000 -2.21578 -6.05336 -9.24646 -7.43956 -37.8587 4.40854 -10.351 6.13101 -9.04486 TIMING: 4197000 CPU: 13580.7, 0.00311287/step Wall: 13580.7, 0.00311287/step, 0.694344 hours remaining, 235.324219 MB of memory in use. ENERGY: 4197000 3889.0767 20476.5085 14514.5660 247.9048 -203349.5371 2590.2866 0.0000 0.0000 52213.6370 -109417.5575 300.0725 -161631.1945 -109053.2820 299.9278 -63.1476 -27.6461 761412.6136 -16.5533 -16.3731 PRESSURE: 4197200 -82.8484 -88.1575 347.129 -88.1583 270.406 -93.4999 347.128 -93.5002 373.025 GPRESSURE: 4197200 -104.691 -159.909 339.226 1.28138 363.195 -102.214 215.146 -84.3208 384.25 PRESSAVG: 4197200 -15.323 -6.55006 12.9709 -6.55004 -22.0634 -70.1768 12.9709 -70.1769 -0.560344 GPRESSAVG: 4197200 -16.2815 -6.95108 11.94 -7.80234 -21.2396 -70.6022 11.667 -70.0873 -0.619226 TIMING: 4197200 CPU: 13581.4, 0.00312363/step Wall: 13581.4, 0.00312363/step, 0.696569 hours remaining, 235.324219 MB of memory in use. ENERGY: 4197200 4024.8346 20514.4525 14427.7269 242.7687 -203191.9834 2796.5662 0.0000 0.0000 52018.2706 -109167.3639 298.9497 -161185.6345 -108802.9862 299.8403 186.8610 214.2514 762091.4347 -12.6489 -12.7135 PRESSURE: 4197400 244.217 -9.87266 -1.85848 -9.87232 -133.573 -148.798 -1.85882 -148.799 -8.13421 GPRESSURE: 4197400 275.939 -140.21 57.7748 57.6139 -88.074 -136.221 -37.9883 -110.904 -22.3456 PRESSAVG: 4197400 -40.2653 -18.8975 28.3661 -18.8974 39.8496 -18.8105 28.3661 -18.8104 -12.0095 GPRESSAVG: 4197400 -39.3382 -20.3805 28.7807 -16.7337 38.6344 -18.1624 29.1342 -21.0585 -11.4029 TIMING: 4197400 CPU: 13582, 0.00312939/step Wall: 13582, 0.00312939/step, 0.697679 hours remaining, 235.460938 MB of memory in use. ENERGY: 4197400 4015.6497 20412.9500 14453.8727 227.0782 -203458.5817 3036.9422 0.0000 0.0000 52373.0428 -108939.0461 300.9886 -161312.0888 -108574.1792 300.2354 34.1702 55.1733 762005.2733 -4.1417 -4.0356 PRESSURE: 4197600 184.592 257.905 -18.2012 257.904 -116.69 93.9631 -18.2009 93.963 -169.991 GPRESSURE: 4197600 192.252 143.061 -20.2258 279.643 -151.429 78.9448 -21.0346 145.542 -70.6545 PRESSAVG: 4197600 28.1632 -15.4114 40.2189 -15.4114 -10.6259 -6.46527 40.2188 -6.46526 -16.6038 GPRESSAVG: 4197600 27.9473 -11.7704 41.4419 -16.4684 -10.6184 -6.7744 39.3477 -4.3533 -17.028 TIMING: 4197600 CPU: 13582.6, 0.00311051/step Wall: 13582.6, 0.00311051/step, 0.693298 hours remaining, 235.460938 MB of memory in use. ENERGY: 4197600 4047.2125 20635.7854 14483.8927 254.6428 -203204.9839 2653.8577 0.0000 0.0000 52220.5555 -108909.0374 300.1123 -161129.5930 -108540.1768 300.6753 -34.0297 -9.9438 762185.1207 0.3112 0.1003 PRESSURE: 4197800 -169.239 -69.2292 -89.5294 -69.2293 -94.7563 3.84144 -89.5296 3.84173 272.616 GPRESSURE: 4197800 -79.0424 -18.4507 -119.89 -84.7918 -93.2637 58.8039 104.7 30.7238 260.847 PRESSAVG: 4197800 15.7149 3.51088 51.164 3.51088 -33.5129 19.031 51.164 19.0311 10.4009 GPRESSAVG: 4197800 16.5 4.12982 49.0668 2.70309 -33.614 18.4318 52.1878 19.3028 9.69152 TIMING: 4197800 CPU: 13583.2, 0.00312011/step Wall: 13583.2, 0.00312011/step, 0.695265 hours remaining, 235.460938 MB of memory in use. ENERGY: 4197800 3939.0169 20603.1129 14450.1059 250.5170 -202977.2120 2668.1493 0.0000 0.0000 51908.3513 -109157.9588 298.3180 -161066.3101 -108800.4958 300.3302 2.8735 29.5135 762795.2529 -2.4657 -2.4741 PRESSURE: 4198000 164.235 -107.397 27.6091 -107.397 169.674 4.23082 27.609 4.23044 -156.161 GPRESSURE: 4198000 195.645 -86.2361 55.6125 -17.7112 228.33 -1.46588 -2.97688 -35.1455 -177.317 PRESSAVG: 4198000 -6.85611 -27.0539 -17.6797 -27.0539 -14.2608 -8.91045 -17.6797 -8.91047 2.41109 GPRESSAVG: 4198000 -6.4628 -28.4301 -18.803 -27.4289 -14.8614 -6.74223 -17.3646 -11.8584 2.61678 TIMING: 4198000 CPU: 13583.9, 0.00312488/step Wall: 13583.9, 0.00312488/step, 0.696154 hours remaining, 235.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4198000 3997.1592 20559.4103 14451.7432 250.4803 -203258.2338 2734.2518 0.0000 0.0000 51916.6362 -109348.5527 298.3656 -161265.1889 -108991.4395 299.1047 59.2493 82.2196 761019.6059 -6.2353 -6.2358 PRESSURE: 4198200 -370.623 102.093 -105.204 102.093 52.091 -95.6129 -105.204 -95.6127 54.8556 GPRESSURE: 4198200 -340.766 71.8478 -65.729 -21.4325 111.603 19.4835 -112.656 -164.587 47.1146 PRESSAVG: 4198200 -15.2879 -20.6335 -1.53408 -20.6335 12.7413 28.2183 -1.53401 28.2184 2.693 GPRESSAVG: 4198200 -15.9902 -20.9088 0.546571 -22.9292 13.4987 29.3302 -2.01492 29.5461 2.64695 TIMING: 4198200 CPU: 13584.5, 0.00312847/step Wall: 13584.5, 0.00312847/step, 0.69678 hours remaining, 235.460938 MB of memory in use. ENERGY: 4198200 4054.5749 20337.5841 14543.8555 268.3216 -203174.3908 2575.4307 0.0000 0.0000 52268.1375 -109126.4864 300.3857 -161394.6239 -108769.3729 300.0510 -87.8920 -60.6826 763651.0153 0.0488 0.0518 PRESSURE: 4198400 -13.8713 310.202 -122.202 310.202 -398.184 46.0964 -122.203 46.0968 75.5715 GPRESSURE: 4198400 68.1981 269.927 -15.3607 203.61 -397.73 -6.03254 -181.325 6.00241 88.6502 PRESSAVG: 4198400 -0.730853 -33.7655 3.17376 -33.7655 -34.2715 -57.7316 3.17379 -57.7316 -19.4686 GPRESSAVG: 4198400 -0.855025 -33.5482 3.56466 -31.2154 -35.6367 -59.2113 3.98594 -59.0362 -18.4808 TIMING: 4198400 CPU: 13585.1, 0.00311855/step Wall: 13585.1, 0.00311855/step, 0.694397 hours remaining, 235.460938 MB of memory in use. ENERGY: 4198400 4032.0866 20524.9901 14484.8022 221.3475 -202972.7111 2554.8636 0.0000 0.0000 52161.1998 -108993.4214 299.7711 -161154.6212 -108632.7249 300.1021 -112.1611 -80.2939 762063.0381 -18.1570 -18.3242 PRESSURE: 4198600 -353.663 -101.616 -51.9552 -101.615 -357.462 -28.5885 -51.9558 -28.5887 -38.8567 GPRESSURE: 4198600 -291.956 -85.4566 -98.6772 -138.87 -342.029 -63.9518 24.3992 67.5742 -28.0121 PRESSAVG: 4198600 0.987582 -13.1267 14.7514 -13.1267 -2.70052 16.2994 14.7514 16.2994 -12.7336 GPRESSAVG: 4198600 1.2221 -11.6831 14.0541 -13.0641 -2.05299 15.0298 16.4182 18.4414 -13.7474 TIMING: 4198600 CPU: 13585.7, 0.00311216/step Wall: 13585.7, 0.00311216/step, 0.692802 hours remaining, 235.460938 MB of memory in use. ENERGY: 4198600 4027.3787 20604.4242 14492.3216 250.4315 -202964.3728 2376.2753 0.0000 0.0000 52257.5052 -108956.0363 300.3246 -161213.5415 -108594.3498 300.7614 -249.9941 -220.6656 761835.1002 -4.8155 -4.8594 PRESSURE: 4198800 430.833 -0.506321 -367.002 -0.50621 196.976 97.1339 -367.003 97.1346 336.155 GPRESSURE: 4198800 395.934 -148.727 -390.736 52.3549 289.304 -36.7829 -410.469 135.144 357.724 PRESSAVG: 4198800 54.2815 -24.2572 35.8134 -24.2572 -49.8917 -13.7623 35.8134 -13.7624 32.3925 GPRESSAVG: 4198800 53.1169 -25.2667 36.3818 -23.2531 -49.1865 -13.6805 32.8545 -12.1723 33.1366 TIMING: 4198800 CPU: 13586.4, 0.00311854/step Wall: 13586.4, 0.00311854/step, 0.694049 hours remaining, 235.460938 MB of memory in use. ENERGY: 4198800 3986.6620 20694.7158 14523.2720 237.5823 -203577.5929 2683.7899 0.0000 0.0000 52343.0327 -109108.5383 300.8161 -161451.5710 -108745.6626 300.2426 321.3214 347.6540 760407.1720 12.2608 12.3557 PRESSURE: 4199000 86.087 201.756 63.9965 201.757 11.0636 89.7315 63.9952 89.7318 123.342 GPRESSURE: 4199000 168.403 104.362 67.2758 154.386 139.67 102.912 0.381346 70.7062 19.3409 PRESSAVG: 4199000 -0.379954 -12.6182 52.5913 -12.6182 13.6535 11.327 52.5912 11.327 20.4739 GPRESSAVG: 4199000 2.01849 -12.5697 52.0122 -14.8871 13.4792 12.1386 53.8682 8.97032 17.9244 TIMING: 4199000 CPU: 13587, 0.00310609/step Wall: 13587, 0.00310609/step, 0.691105 hours remaining, 235.460938 MB of memory in use. ENERGY: 4199000 4033.3048 20524.5811 14388.0030 251.3816 -203212.1565 2619.1356 0.0000 0.0000 52291.0517 -109104.6987 300.5174 -161395.7504 -108729.1564 300.2282 73.4975 109.1381 760689.2453 11.2491 11.1407 PRESSURE: 4199200 197.852 206.055 -53.602 206.055 105.661 -41.9432 -53.6019 -41.943 -313.917 GPRESSURE: 4199200 214.569 148.989 -34.0606 196.285 158.343 -7.48007 21.5117 -27.4937 -269.628 PRESSAVG: 4199200 11.1601 6.30342 10.5011 6.30345 -5.59631 19.8645 10.501 19.8646 -5.06591 GPRESSAVG: 4199200 9.36205 6.52275 9.87914 8.61098 -5.76993 19.1179 10.0876 21.7176 -3.37965 TIMING: 4199200 CPU: 13587.6, 0.00310903/step Wall: 13587.6, 0.00310903/step, 0.691586 hours remaining, 235.460938 MB of memory in use. ENERGY: 4199200 3950.2169 20467.0467 14483.3826 249.6915 -203266.4410 2519.2490 0.0000 0.0000 52216.6938 -109380.1606 300.0901 -161596.8544 -109014.7633 300.0258 -3.4678 34.4281 760375.3467 0.1660 0.0708 PRESSURE: 4199400 -147.429 -5.42715 -174.301 -5.4279 205.144 331.642 -174.301 331.643 -233.409 GPRESSURE: 4199400 -139.381 1.90699 -205.801 -88.6962 191.141 254.781 -89.5822 352.559 -158.375 PRESSAVG: 4199400 27.6811 -38.6626 -7.134 -38.6626 -2.75579 -33.0414 -7.13396 -33.0414 -17.9513 GPRESSAVG: 4199400 27.4289 -39.5221 -5.96763 -39.6389 -1.84252 -31.8786 -8.09727 -34.2659 -18.7577 TIMING: 4199400 CPU: 13588.2, 0.00312978/step Wall: 13588.2, 0.00312978/step, 0.696028 hours remaining, 235.460938 MB of memory in use. ENERGY: 4199400 3964.5345 20376.2417 14465.2724 249.5238 -203463.4923 2832.0507 0.0000 0.0000 52084.7810 -109491.0883 299.3320 -161575.8692 -109130.8264 299.4738 -58.5648 -35.5384 761089.4787 2.3247 2.2762 PRESSURE: 4199600 -104.279 57.9185 128.686 57.9192 68.8953 10.703 128.686 10.7042 106.451 GPRESSURE: 4199600 -175.784 154.366 179.12 63.9606 149.454 -26.5547 139.188 69.3806 162.179 PRESSAVG: 4199600 0.622223 -9.59064 55.2094 -9.59068 5.59452 -11.4231 55.2095 -11.4231 16.9953 GPRESSAVG: 4199600 1.33149 -9.52671 54.9995 -9.72253 4.34144 -12.7045 55.808 -10.6199 17.8699 TIMING: 4199600 CPU: 13588.9, 0.00312585/step Wall: 13588.9, 0.00312585/step, 0.69498 hours remaining, 235.460938 MB of memory in use. ENERGY: 4199600 4069.3481 20522.0880 14450.6109 238.5001 -203416.5965 2586.7562 0.0000 0.0000 52153.2688 -109396.0244 299.7256 -161549.2932 -109036.4470 299.5692 23.6890 45.2831 761365.7425 7.7373 7.8476 PRESSURE: 4199800 -184.88 -150.388 111.329 -150.387 83.306 196.85 111.328 196.85 -253.854 GPRESSURE: 4199800 -204.848 -142.342 104.295 -137.596 136.649 135.485 127.643 117.672 -201.813 PRESSAVG: 4199800 -20.666 -35.6842 95.4144 -35.6842 12.1373 59.094 95.4144 59.094 -22.1851 GPRESSAVG: 4199800 -21.1108 -33.9362 94.1915 -35.3836 12.2341 57.8298 95.0269 59.1327 -21.7884 TIMING: 4199800 CPU: 13589.5, 0.00311284/step Wall: 13589.5, 0.00311284/step, 0.691915 hours remaining, 235.460938 MB of memory in use. ENERGY: 4199800 4047.5398 20668.5306 14476.0066 242.6536 -203274.6585 2596.4990 0.0000 0.0000 52124.2712 -109119.1577 299.5589 -161243.4289 -108759.7255 299.8487 -118.4760 -90.0041 761824.9786 -10.2379 -10.2217 WRITING COORDINATES TO DCD FILE MD.4.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: 4200000 -265.567 150.201 355.437 150.202 271.383 15.0956 355.437 15.0946 -89.297 GPRESSURE: 4200000 -178.179 78.7472 371.417 109.941 197.712 -37.373 343.521 97.3231 -16.2929 PRESSAVG: 4200000 53.4414 -15.1583 27.5933 -15.1583 -39.9725 42.3215 27.5933 42.3215 -13.9363 GPRESSAVG: 4200000 53.4529 -15.732 27.8672 -15.7043 -39.5397 43.5193 29.3056 41.2856 -15.0245 TIMING: 4200000 CPU: 13590.1, 0.00322715/step Wall: 13590.1, 0.00322715/step, 0.717144 hours remaining, 235.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4200000 4019.4928 20686.6904 14489.6963 243.7865 -203487.6831 2626.0943 0.0000 0.0000 52211.6411 -109210.2817 300.0610 -161421.9228 -108846.0755 299.8871 -27.8271 1.0803 762327.6818 -0.1558 -0.3705 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 PRESSURE: 4200200 -143.266 52.8531 -29.124 52.854 -198.645 -52.8668 -29.1239 -52.8664 -173.757 GPRESSURE: 4200200 -140.85 -15.8672 -15.7195 11.0004 -137.055 -46.3019 23.4844 -128.212 -179.489 PRESSAVG: 4200200 64.8028 -25.6026 0.916463 -25.6026 -64.6804 10.8441 0.916558 10.8441 2.56768 GPRESSAVG: 4200200 63.6343 -25.5608 1.96515 -25.382 -64.7086 11.204 0.488956 12.5438 3.20844 TIMING: 4200200 CPU: 13590.8, 0.00312539/step Wall: 13590.8, 0.00312539/step, 0.694357 hours remaining, 235.585938 MB of memory in use. ENERGY: 4200200 4005.1114 20370.7014 14558.4972 244.6224 -203402.9179 2732.2705 0.0000 0.0000 52087.1803 -109404.5347 299.3457 -161491.7150 -109048.2361 299.6387 -171.8894 -152.4647 762982.7749 0.8967 0.7114 LDB: ============= START OF LOAD BALANCING ============== 13603.2 LDB: ============== END OF LOAD BALANCING =============== 13603.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13603.2 LDB: ============= START OF LOAD BALANCING ============== 13603.5 LDB: Largest compute 7038 load 0.033163 is 16.9% of average load 0.195673 LDB: Average compute 0.004382 is 2.2% of average load 0.195673 LDB: TIME 13603.5 LOAD: AVG 0.195673 MAX 0.211115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 13603.5 LOAD: AVG 0.195673 MAX 0.211115 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 13603.5 LOAD: AVG 0.195673 MAX 0.211115 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 13603.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13603.5 PRESSURE: 4200400 70.5459 -101.778 -159.486 -101.778 -25.8994 -40.1204 -159.486 -40.1211 130.33 GPRESSURE: 4200400 99.7652 -80.9977 -168.969 -173.242 48.6759 9.38853 -126.335 -93.2591 108.337 PRESSAVG: 4200400 70.8763 -49.7064 -21.1876 -49.7064 -85.7276 -10.3537 -21.1877 -10.3537 2.32615 GPRESSAVG: 4200400 72.5974 -49.2023 -22.3384 -49.9567 -86.3251 -12.3679 -19.4642 -11.2626 1.56979 TIMING: 4200400 CPU: 13591.4, 0.00320391/step Wall: 13591.4, 0.00320391/step, 0.711624 hours remaining, 235.136719 MB of memory in use. ENERGY: 4200400 4023.9175 20542.4432 14528.9390 234.6441 -203322.1185 2385.8411 0.0000 0.0000 52249.9940 -109356.3396 300.2814 -161606.3336 -108998.6128 299.1000 58.3255 85.5929 762612.7986 -4.1750 -4.0527 PRESSURE: 4200600 197.425 -23.9088 -384.391 -23.9092 -17.6462 -32.1378 -384.391 -32.1376 -88.8099 GPRESSURE: 4200600 235.635 -79.5089 -384.917 155.515 -33.1871 50.8127 -344.721 -120.788 -26.7401 PRESSAVG: 4200600 14.9858 -32.6018 -22.7539 -32.6018 -54.9219 62.8907 -22.754 62.8906 -3.82141 GPRESSAVG: 4200600 14.9725 -33.8511 -22.6998 -31.0034 -54.5622 66.2182 -23.9147 61.8618 -3.76968 TIMING: 4200600 CPU: 13592, 0.00313573/step Wall: 13592, 0.00313573/step, 0.696306 hours remaining, 235.652344 MB of memory in use. ENERGY: 4200600 4041.5550 20661.8917 14583.3579 231.7375 -203548.7000 2602.5092 0.0000 0.0000 52066.2334 -109361.4154 299.2254 -161427.6488 -109000.7583 299.4343 30.3229 58.5691 761633.5240 -14.5858 -14.4531 PRESSURE: 4200800 44.0968 109.746 156.493 109.746 291.792 17.2802 156.493 17.2794 148.443 GPRESSURE: 4200800 12.0205 56.4436 -47.0239 111.254 447.077 64.8788 111.236 -18.2081 111.205 PRESSAVG: 4200800 84.1645 -4.11404 -33.8585 -4.11408 -59.992 51.3475 -33.8585 51.3475 -16.4271 GPRESSAVG: 4200800 83.3761 -2.75364 -35.3229 -4.71096 -59.9198 51.1208 -34.2648 51.0501 -15.4297 TIMING: 4200800 CPU: 13592.6, 0.00312054/step Wall: 13592.6, 0.00312054/step, 0.692759 hours remaining, 235.652344 MB of memory in use. ENERGY: 4200800 3959.4397 20522.6333 14447.6459 252.3657 -203383.0990 2625.2662 0.0000 0.0000 52165.0527 -109410.6954 299.7933 -161575.7481 -109051.5069 299.3835 161.4438 190.1007 760584.3860 2.5818 2.6755 PRESSURE: 4201000 132.065 12.8158 -98.373 12.8159 16.2108 48.1889 -98.3717 48.1899 -305.551 GPRESSURE: 4201000 122.834 24.5058 -63.6089 131.286 54.8521 111.164 68.3397 56.147 -244.251 PRESSAVG: 4201000 47.3842 -44.7615 10.1119 -44.7615 -52.5361 37.6256 10.1119 37.6256 23.2694 GPRESSAVG: 4201000 48.6312 -43.5211 12.229 -45.5839 -52.9598 37.9002 9.60548 37.8674 22.503 TIMING: 4201000 CPU: 13593.3, 0.00311461/step Wall: 13593.3, 0.00311461/step, 0.691271 hours remaining, 235.652344 MB of memory in use. ENERGY: 4201000 3970.2239 20484.5952 14528.9101 255.6739 -203345.7665 2674.0465 0.0000 0.0000 52002.4707 -109429.8462 298.8589 -161432.3169 -109065.8075 299.1308 -52.4253 -22.1883 762076.1531 6.0392 6.0581 PRESSURE: 4201200 -28.1123 -3.8816 -163.463 -3.88144 63.9716 267.929 -163.463 267.929 -143.556 GPRESSURE: 4201200 -125.268 -69.6861 -195.576 89.1324 154.088 291.226 -101.717 280.469 -57.6156 PRESSAVG: 4201200 15.8722 19.3288 18.1676 19.3288 19.938 -13.6141 18.1677 -13.6141 -20.7791 GPRESSAVG: 4201200 14.2958 18.3324 16.5737 19.5558 21.0316 -15.608 19.3 -12.4514 -20.1834 TIMING: 4201200 CPU: 13593.9, 0.00312416/step Wall: 13593.9, 0.00312416/step, 0.693217 hours remaining, 235.652344 MB of memory in use. ENERGY: 4201200 4031.1928 20508.9947 14490.9544 243.9355 -203493.7646 2774.3093 0.0000 0.0000 51894.9227 -109549.4552 298.2408 -161444.3779 -109194.6206 299.1303 -35.8987 -9.5985 761516.8064 5.0104 5.0480 PRESSURE: 4201400 35.3842 -29.0252 314.145 -29.0255 -90.1336 241.239 314.145 241.239 214.493 GPRESSURE: 4201400 103.975 -45.8122 278.336 -51.6683 -92.8021 308.467 229.099 125.105 215.735 PRESSAVG: 4201400 64.6084 -1.92381 -22.2631 -1.92374 -77.8966 32.5547 -22.2632 32.5547 10.8067 GPRESSAVG: 4201400 64.4176 -2.15519 -21.9383 -1.0384 -78.1362 32.2826 -22.7237 31.9823 11.2687 TIMING: 4201400 CPU: 13594.5, 0.00312402/step Wall: 13594.5, 0.00312402/step, 0.693012 hours remaining, 235.652344 MB of memory in use. ENERGY: 4201400 3987.7147 20519.7055 14533.6465 242.9014 -203700.3507 2618.9325 0.0000 0.0000 52257.6265 -109539.8236 300.3253 -161797.4501 -109158.6052 299.3201 53.2479 75.6361 760518.1946 -0.8271 -0.8166 PRESSURE: 4201600 318.855 -21.02 -198.594 -21.0206 -0.023137 -146.28 -198.594 -146.28 224.182 GPRESSURE: 4201600 331.281 78.6658 -277.262 -45.7323 103.32 -23.7961 -287.471 -35.4321 207.339 PRESSAVG: 4201600 -52.9963 -70.6835 -33.488 -70.6835 54.9614 -10.4462 -33.4879 -10.4462 18.3826 GPRESSAVG: 4201600 -52.2723 -69.8367 -31.4496 -71.0512 55.1807 -8.54181 -33.1559 -11.121 17.3251 TIMING: 4201600 CPU: 13595.1, 0.00312447/step Wall: 13595.1, 0.00312447/step, 0.692937 hours remaining, 235.664062 MB of memory in use. ENERGY: 4201600 3974.4058 20506.9699 14562.1008 266.8560 -203524.4207 2820.3785 0.0000 0.0000 51833.4628 -109560.2468 297.8876 -161393.7096 -109192.9029 299.0265 181.0048 213.9799 760924.2045 6.7826 6.7445 PRESSURE: 4201800 102.801 -27.7011 -29.8806 -27.7009 -279.112 0.919194 -29.8805 0.9196 -72.4601 GPRESSURE: 4201800 240.787 -45.8037 -5.70939 -75.7088 -311.115 -53.4465 103.958 15.7794 -68.8493 PRESSAVG: 4201800 10.5983 -68.1358 -27.4183 -68.1358 12.3046 -11.7763 -27.4183 -11.7763 10.5813 GPRESSAVG: 4201800 11.0683 -69.5279 -29.813 -68.0302 11.3346 -12.3754 -28.1358 -9.5544 11.1621 TIMING: 4201800 CPU: 13595.8, 0.00310064/step Wall: 13595.8, 0.00310064/step, 0.687482 hours remaining, 235.664062 MB of memory in use. ENERGY: 4201800 3991.0237 20506.2841 14481.3529 252.2691 -203641.1670 2624.8220 0.0000 0.0000 52144.6218 -109640.7936 299.6759 -161785.4154 -109282.7563 299.2521 -82.9237 -46.3924 760553.9603 11.1614 11.1883 PRESSURE: 4202000 -246.766 89.8101 70.844 89.8103 234.191 227.319 70.8438 227.32 462.184 GPRESSURE: 4202000 -135.53 102.683 83.1948 158.188 213.198 268.946 5.67638 245.733 430.725 PRESSAVG: 4202000 45.0731 -68.9675 0.458363 -68.9674 -45.0993 -19.1976 0.458382 -19.1976 2.23175 GPRESSAVG: 4202000 45.6235 -68.9461 1.14655 -68.2936 -45.2449 -18.7716 2.09576 -21.2828 1.22142 TIMING: 4202000 CPU: 13596.4, 0.00310934/step Wall: 13596.4, 0.00310934/step, 0.689238 hours remaining, 235.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4202000 3935.2631 20453.0822 14587.4626 233.9612 -203634.3450 2890.7458 0.0000 0.0000 52047.5787 -109486.2515 299.1181 -161533.8302 -109142.6750 298.5043 149.8697 169.4642 760252.5827 0.7352 0.5333 PRESSURE: 4202200 107.363 -280.236 -109.436 -280.236 -352.055 -132.516 -109.437 -132.517 -221.143 GPRESSURE: 4202200 58.5074 -297.973 -98.9698 -308.481 -304.621 -143.183 -143.889 -10.211 -144.314 PRESSAVG: 4202200 69.1485 -15.9219 40.6124 -15.9219 -22.546 17.3165 40.6124 17.3165 21.8838 GPRESSAVG: 4202200 67.9978 -15.9735 40.655 -16.2995 -22.6106 16.7418 38.8877 17.8112 22.7083 TIMING: 4202200 CPU: 13597, 0.00311337/step Wall: 13597, 0.00311337/step, 0.689957 hours remaining, 235.664062 MB of memory in use. ENERGY: 4202200 4018.3217 20594.4655 14484.6397 233.4289 -203448.6051 2426.9375 0.0000 0.0000 52153.2905 -109537.5212 299.7257 -161690.8117 -109176.7850 299.0727 -155.2783 -130.1425 761543.4722 22.8288 22.6985 PRESSURE: 4202400 -361.601 -91.3761 -31.0666 -91.3767 -643.353 -66.7102 -31.0658 -66.7102 -37.2726 GPRESSURE: 4202400 -279.253 53.1902 -78.7934 -60.7426 -599.907 -98.4577 -118.163 -153.448 -89.5037 PRESSAVG: 4202400 74.8709 -26.3312 41.4508 -26.3312 -88.415 -85.7508 41.4508 -85.7507 6.40221 GPRESSAVG: 4202400 75.882 -23.7054 42.1706 -26.1985 -88.4343 -85.5155 41.9452 -84.5903 5.60313 TIMING: 4202400 CPU: 13597.6, 0.00310479/step Wall: 13597.6, 0.00310479/step, 0.687883 hours remaining, 235.863281 MB of memory in use. ENERGY: 4202400 3946.1108 20630.4779 14613.4657 226.1552 -203223.4175 2183.7184 0.0000 0.0000 51953.1952 -109670.2943 298.5757 -161623.4895 -109310.0281 298.4226 -347.4088 -322.8877 763823.4859 -2.3806 -2.3164 PRESSURE: 4202600 333.363 -11.7179 129.352 -11.7188 49.159 -80.8615 129.352 -80.862 78.2018 GPRESSURE: 4202600 243.327 -207.459 225.379 15.434 170.21 -17.5825 116.029 -67.0081 120.492 PRESSAVG: 4202600 47.5335 -32.4006 28.2776 -32.4007 -48.192 -30.8112 28.2775 -30.8113 -24.3862 GPRESSAVG: 4202600 45.9235 -35.0753 27.6512 -31.146 -47.638 -28.376 30.228 -32.702 -23.4531 TIMING: 4202600 CPU: 13598.2, 0.00309463/step Wall: 13598.2, 0.00309463/step, 0.685461 hours remaining, 235.863281 MB of memory in use. ENERGY: 4202600 3903.3350 20641.8169 14489.2131 244.6110 -203668.9678 2796.0659 0.0000 0.0000 51936.9987 -109656.9273 298.4826 -161593.9260 -109287.2504 298.7414 153.5747 178.0100 760030.5378 -8.3483 -8.3892 PRESSURE: 4202800 -65.1148 -161.551 38.2041 -161.552 -30.7567 37.1032 38.2044 37.1031 206.064 GPRESSURE: 4202800 -79.2046 -0.200984 -24.6321 -93.4284 -17.6438 -54.8734 51.5968 60.8443 273.728 PRESSAVG: 4202800 47.006 -59.2607 6.49824 -59.2606 -20.5712 -45.4064 6.49824 -45.4065 -1.23324 GPRESSAVG: 4202800 47.4967 -58.0574 5.78003 -60.47 -21.4653 -47.3343 5.27343 -44.1062 -0.427551 TIMING: 4202800 CPU: 13598.9, 0.00312503/step Wall: 13598.9, 0.00312503/step, 0.692021 hours remaining, 235.863281 MB of memory in use. ENERGY: 4202800 3980.7615 20726.6643 14506.8243 240.4288 -203661.0931 2817.7582 0.0000 0.0000 51897.5935 -109491.0626 298.2562 -161388.6561 -109132.9091 299.1277 36.7310 58.9597 758729.4273 8.4005 8.5346 PRESSURE: 4203000 184.129 109.531 106.695 109.532 241.977 1.8247 106.696 1.82598 441.231 GPRESSURE: 4203000 223.285 66.6666 52.2526 103.558 308.562 -13.2762 -0.508102 5.19769 411.945 PRESSAVG: 4203000 25.8616 -47.2777 18.3706 -47.2778 -24.9353 -42.571 18.3706 -42.571 -13.6461 GPRESSAVG: 4203000 25.5732 -47.9005 17.3463 -47.7407 -24.8578 -43.4922 19.8866 -42.936 -13.4585 TIMING: 4203000 CPU: 13599.5, 0.00311602/step Wall: 13599.5, 0.00311602/step, 0.689852 hours remaining, 235.863281 MB of memory in use. ENERGY: 4203000 3905.2743 20445.9590 14540.4391 247.3806 -203452.5582 2774.2259 0.0000 0.0000 52155.1752 -109384.1039 299.7365 -161539.2791 -109016.4991 299.3274 289.1128 314.5976 760691.9050 -4.2399 -4.2477 PRESSURE: 4203200 207.123 -214.219 45.9114 -214.219 -352.224 -134.986 45.9118 -134.986 -289.817 GPRESSURE: 4203200 192.241 -198.507 31.5246 -184.36 -255.602 -99.649 46.1663 -148.9 -278.623 PRESSAVG: 4203200 27.9329 -30.1477 21.4203 -30.1477 -44.9045 -25.5709 21.4204 -25.571 17.357 GPRESSAVG: 4203200 27.2215 -28.6208 22.1279 -30.4767 -44.1122 -24.198 17.6824 -25.5887 17.3803 TIMING: 4203200 CPU: 13600.1, 0.00311761/step Wall: 13600.1, 0.00311761/step, 0.69003 hours remaining, 235.863281 MB of memory in use. ENERGY: 4203200 3931.2108 20396.8426 14505.7586 246.0987 -203507.9926 2619.6132 0.0000 0.0000 52360.5351 -109447.9336 300.9167 -161808.4687 -109080.6969 299.3695 -144.9729 -113.9947 761538.3703 0.1285 0.1632 PRESSURE: 4203400 -207.408 265.515 45.4897 265.514 110.256 73.7915 45.4894 73.7904 56.8782 GPRESSURE: 4203400 -227.276 229.449 81.5172 152.961 265.217 126.075 -9.59946 -53.8732 17.1302 PRESSAVG: 4203400 44.2069 -46.4346 53.5385 -46.4345 -22.4901 -1.29795 53.5385 -1.29797 12.3476 GPRESSAVG: 4203400 44.3622 -45.7143 53.0286 -47.5981 -21.5381 -1.76762 56.7038 -2.77238 11.3562 TIMING: 4203400 CPU: 13600.7, 0.00310141/step Wall: 13600.7, 0.00310141/step, 0.686274 hours remaining, 235.863281 MB of memory in use. ENERGY: 4203400 3965.9684 20404.5122 14499.0228 228.8995 -203068.6014 2259.1535 0.0000 0.0000 52381.2445 -109329.8004 301.0357 -161711.0449 -108968.0299 299.7309 -13.4246 18.3569 760571.4800 11.3548 11.3934 PRESSURE: 4203600 -354.59 -110.507 -109.974 -110.506 42.0143 87.2683 -109.975 87.2678 -350.839 GPRESSURE: 4203600 -322.429 -74.9527 -67.8953 -114.749 65.3746 61.3675 -211.855 164.692 -316.464 PRESSAVG: 4203600 5.78006 -56.1291 15.659 -56.129 3.53275 60.3939 15.6589 60.3939 -14.9498 GPRESSAVG: 4203600 6.43031 -58.3917 16.057 -54.4127 2.38509 60.2358 16.2318 61.5844 -14.2762 TIMING: 4203600 CPU: 13601.4, 0.00312339/step Wall: 13601.4, 0.00312339/step, 0.690963 hours remaining, 235.863281 MB of memory in use. ENERGY: 4203600 4053.8586 20540.8969 14416.6320 253.2401 -203289.5142 2385.9113 0.0000 0.0000 52201.3752 -109437.6002 300.0020 -161638.9754 -109071.6899 300.0296 -221.1383 -191.1729 761034.5287 -1.8790 -1.8203 PRESSURE: 4203800 84.8755 -23.9791 -57.8689 -23.9784 -17.8617 -140.498 -57.8683 -140.499 269.114 GPRESSURE: 4203800 112.216 -36.6554 -70.9372 20.6474 -3.7518 -58.0893 -4.51775 -64.2324 300.215 PRESSAVG: 4203800 99.9867 -64.7269 34.5814 -64.7269 -60.3958 -19.412 34.5815 -19.412 -9.68624 GPRESSAVG: 4203800 99.6434 -63.2826 33.8978 -64.6423 -60.2247 -20.4596 34.243 -17.959 -9.45402 TIMING: 4203800 CPU: 13602, 0.00312008/step Wall: 13602, 0.00312008/step, 0.690057 hours remaining, 235.863281 MB of memory in use. ENERGY: 4203800 3980.3774 20487.7186 14447.2234 249.8917 -203201.2849 2496.4858 0.0000 0.0000 51828.6589 -109710.9292 297.8600 -161539.5881 -109357.7173 298.9496 112.0428 136.2266 760888.2913 9.9682 9.9882 PRESSURE: 4204000 -404.032 -184.403 -49.0952 -184.404 -232.539 29.3022 -49.0947 29.3028 -377.779 GPRESSURE: 4204000 -301.711 -196.244 -35.7703 -155.437 -235.823 14.5629 -109.157 -43.5528 -388.64 PRESSAVG: 4204000 74.6869 -82.3815 17.517 -82.3815 -45.325 51.2424 17.5171 51.2424 0.989439 GPRESSAVG: 4204000 73.87 -84.5686 19.789 -81.7061 -45.1289 52.8713 16.0857 49.9404 1.35887 TIMING: 4204000 CPU: 13602.6, 0.00311058/step Wall: 13602.6, 0.00311058/step, 0.687784 hours remaining, 235.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4204000 4014.9135 20412.1663 14479.6081 259.1689 -203210.7662 2690.6171 0.0000 0.0000 51843.7747 -109510.5176 297.9469 -161354.2923 -109148.7636 298.8250 -338.1163 -308.7249 761864.6880 10.1171 10.0333 PRESSURE: 4204200 122.697 -15.3704 62.5674 -15.3706 247.728 11.8845 62.5676 11.8838 72.7172 GPRESSURE: 4204200 106.23 17.4067 100.166 63.467 211.988 54.052 -60.2508 3.85633 199.447 PRESSAVG: 4204200 37.6266 -51.0059 53.3619 -51.006 -22.4275 49.0838 53.3618 49.0838 8.26181 GPRESSAVG: 4204200 38.2153 -50.4246 53.5582 -51.0005 -22.4541 48.4981 52.5998 49.068 7.55789 TIMING: 4204200 CPU: 13603.2, 0.003108/step Wall: 13603.2, 0.003108/step, 0.687041 hours remaining, 235.863281 MB of memory in use. ENERGY: 4204200 3976.2283 20593.4226 14544.0777 242.6957 -203431.5085 2749.0091 0.0000 0.0000 51727.1374 -109598.9377 297.2766 -161326.0750 -109246.3666 298.8445 147.7142 172.5549 761456.8573 7.8203 7.7730 LDB: ============= START OF LOAD BALANCING ============== 13615.6 LDB: ============== END OF LOAD BALANCING =============== 13615.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13615.7 LDB: ============= START OF LOAD BALANCING ============== 13616 LDB: Largest compute 7068 load 0.035226 is 18.0% of average load 0.195470 LDB: Average compute 0.004395 is 2.2% of average load 0.195470 LDB: TIME 13616 LOAD: AVG 0.19547 MAX 0.210956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 13616 LOAD: AVG 0.19547 MAX 0.210956 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.051 MB LDB: TIME 13616 LOAD: AVG 0.19547 MAX 0.210956 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.051 MB LDB: ============== END OF LOAD BALANCING =============== 13616 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13616 PRESSURE: 4204400 45.1435 -116.362 -127.827 -116.362 335.673 86.2427 -127.828 86.2434 28.2626 GPRESSURE: 4204400 133.659 -112.375 -164.025 -140.937 346.051 73.3951 -208.561 73.2033 19.772 PRESSAVG: 4204400 4.39191 -34.657 1.05486 -34.657 -20.0423 12.3203 1.05476 12.3203 8.76777 GPRESSAVG: 4204400 4.90324 -32.7205 -0.391948 -35.71 -19.6454 11.7755 2.35181 11.669 8.02171 TIMING: 4204400 CPU: 13603.9, 0.0031952/step Wall: 13603.9, 0.0031952/step, 0.706138 hours remaining, 234.625000 MB of memory in use. ENERGY: 4204400 3885.0971 20416.3517 14548.3217 251.8860 -203208.7887 2534.6260 0.0000 0.0000 52007.1018 -109565.4044 298.8855 -161572.5062 -109193.9395 298.9957 136.3598 166.4940 762767.4018 -2.2942 -2.2402 PRESSURE: 4204600 -60.546 151.858 103.574 151.858 289.925 -155.516 103.574 -155.517 209.208 GPRESSURE: 4204600 39.3453 40.9345 136.121 136.257 198.113 -154.154 191.834 -214.45 279.172 PRESSAVG: 4204600 -32.3109 -60.4326 22.1844 -60.4326 27.7701 -3.81565 22.1844 -3.81567 3.26091 GPRESSAVG: 4204600 -32.1666 -62.8568 22.3022 -60.3409 28.3998 -3.71926 22.6021 -3.4669 3.27529 TIMING: 4204600 CPU: 13604.5, 0.00313155/step Wall: 13604.5, 0.00313155/step, 0.691898 hours remaining, 234.625000 MB of memory in use. ENERGY: 4204600 3999.4994 20517.4624 14491.5411 235.3796 -203556.1064 2699.3084 0.0000 0.0000 52025.1517 -109587.7638 298.9893 -161612.9155 -109230.9380 298.6135 146.1955 172.2100 761021.2859 -0.4266 -0.1638 PRESSURE: 4204800 -160.176 -12.116 83.2175 -12.1164 61.1777 -152.827 83.2173 -152.827 -305.037 GPRESSURE: 4204800 -42.3326 -39.6563 78.7536 -27.6918 49.1025 -188.125 224.44 -155.245 -344.863 PRESSAVG: 4204800 29.3016 -89.3472 76.7422 -89.3472 -21.7735 -7.70944 76.7422 -7.70947 -15.203 GPRESSAVG: 4204800 29.3026 -88.6475 76.6428 -90.1748 -22.6436 -7.03039 75.1357 -7.49681 -14.3565 TIMING: 4204800 CPU: 13605.1, 0.00313249/step Wall: 13605.1, 0.00313249/step, 0.691932 hours remaining, 234.882812 MB of memory in use. ENERGY: 4204800 4077.8841 20475.9285 14580.3404 222.0944 -203271.1147 2492.6944 0.0000 0.0000 51880.2255 -109541.9474 298.1564 -161422.1729 -109183.2423 299.1349 -134.6786 -112.6978 762084.5709 -2.5583 -2.5659 PRESSURE: 4205000 -127.733 -77.5214 233.741 -77.5209 113.309 42.2253 233.741 42.2257 113.176 GPRESSURE: 4205000 -74.8704 -63.305 311.305 -139.551 151.38 39.4899 97.8949 -46.3369 128.628 PRESSAVG: 4205000 15.181 -70.8786 26.6846 -70.8786 24.5189 46.7241 26.6847 46.7242 8.03443 GPRESSAVG: 4205000 15.1255 -72.2735 27.4481 -70.4497 25.7801 45.9314 25.8731 45.4839 7.03206 TIMING: 4205000 CPU: 13605.7, 0.00313169/step Wall: 13605.7, 0.00313169/step, 0.691582 hours remaining, 234.882812 MB of memory in use. ENERGY: 4205000 3927.4294 20582.7349 14497.6751 249.6781 -203115.1093 2475.3819 0.0000 0.0000 51829.2469 -109552.9629 297.8634 -161382.2098 -109195.3506 298.6178 32.9175 68.3794 760484.7729 15.9115 15.9792 PRESSURE: 4205200 -309.118 -52.9817 -57.731 -52.9817 164.647 -46.9438 -57.7317 -46.9434 -23.5375 GPRESSURE: 4205200 -175.715 -110.532 -77.7141 -19.0306 158.688 97.4389 -17.4373 -29.428 -61.6782 PRESSAVG: 4205200 32.1641 -98.816 28.142 -98.8161 -48.9994 0.428175 28.142 0.428128 20.9352 GPRESSAVG: 4205200 31.256 -98.3034 28.3116 -99.4746 -49.1387 0.90957 30.6157 1.5964 21.4365 TIMING: 4205200 CPU: 13606.4, 0.00314379/step Wall: 13606.4, 0.00314379/step, 0.694078 hours remaining, 234.882812 MB of memory in use. ENERGY: 4205200 3992.0760 20456.0285 14485.1042 243.8327 -203153.5784 2330.2793 0.0000 0.0000 51983.4401 -109662.8177 298.7495 -161646.2578 -109296.0532 299.1025 -56.0030 -26.2350 761034.4317 1.3666 1.1846 PRESSURE: 4205400 -72.1525 -121.975 -188.001 -121.975 103.533 -122.275 -188.003 -122.276 482.677 GPRESSURE: 4205400 -5.01393 -24.2581 -152.224 -156.272 103.934 -119.91 -121.616 -124.911 487.816 PRESSAVG: 4205400 55.6791 -41.6792 28.541 -41.6792 -81.727 10.1331 28.541 10.1331 12.157 GPRESSAVG: 4205400 55.9432 -40.843 28.4574 -41.1462 -82.3361 10.3951 27.475 10.0954 12.9305 TIMING: 4205400 CPU: 13607, 0.00312387/step Wall: 13607, 0.00312387/step, 0.689507 hours remaining, 234.882812 MB of memory in use. ENERGY: 4205400 3927.3644 20491.1610 14530.8805 215.8014 -203438.6343 2715.1702 0.0000 0.0000 52075.2699 -109482.9869 299.2773 -161558.2568 -109119.3010 299.1870 171.3526 195.5786 760851.3759 -4.6303 -4.4874 PRESSURE: 4205600 115.271 -123.7 -74.3982 -123.7 -21.7376 -336.49 -74.3974 -336.49 29.3597 GPRESSURE: 4205600 254.516 -89.7392 -90.7547 55.9947 -82.0018 -311.51 -18.0077 -274.059 39.776 PRESSAVG: 4205600 29.9488 -3.47181 29.2375 -3.47181 1.74113 34.0909 29.2375 34.0909 19.5061 GPRESSAVG: 4205600 31.5864 -3.10542 29.239 -2.87704 0.327739 33.1258 29.864 35.3999 19.5312 TIMING: 4205600 CPU: 13607.6, 0.00312405/step Wall: 13607.6, 0.00312405/step, 0.689373 hours remaining, 234.882812 MB of memory in use. ENERGY: 4205600 3976.9994 20561.3000 14474.1612 275.5925 -203787.4025 2763.5217 0.0000 0.0000 52202.1840 -109533.6437 300.0067 -161735.8277 -109162.1289 299.5784 40.9645 70.7635 761218.5809 17.0653 17.1484 PRESSURE: 4205800 172.467 -11.6801 107.787 -11.6801 -16.3322 -93.6802 107.787 -93.679 192.594 GPRESSURE: 4205800 159.109 162.138 64.2067 -99.6226 14.8266 44.7492 29.9186 -221.484 264.454 PRESSAVG: 4205800 -16.3796 -45.8732 6.64545 -45.8733 -52.5309 -27.7358 6.64545 -27.7358 -26.65 GPRESSAVG: 4205800 -17.1251 -46.403 5.20702 -46.6043 -51.5783 -27.0169 7.01909 -27.2518 -26.9425 TIMING: 4205800 CPU: 13608.3, 0.00311919/step Wall: 13608.3, 0.00311919/step, 0.688128 hours remaining, 234.882812 MB of memory in use. ENERGY: 4205800 3946.5173 20543.1186 14513.9237 258.8540 -203407.5020 2528.4968 0.0000 0.0000 51941.8030 -109674.7886 298.5103 -161616.5916 -109320.8107 298.9172 116.2428 146.1299 758855.1828 -31.8535 -31.8819 PRESSURE: 4206000 -92.6964 -31.0285 -125.288 -31.0266 -82.4922 -127.061 -125.289 -127.061 86.2071 GPRESSURE: 4206000 -11.8303 -30.4367 -182.466 -48.7802 -11.7198 -168.469 -82.0519 -149.957 46.2027 PRESSAVG: 4206000 70.7933 -64.687 33.7625 -64.687 -65.4571 45.489 33.7626 45.489 -8.30826 GPRESSAVG: 4206000 69.875 -63.9385 35.3302 -63.1935 -64.2554 47.7344 32.6166 43.5382 -8.26587 TIMING: 4206000 CPU: 13608.9, 0.00310896/step Wall: 13608.9, 0.00310896/step, 0.685699 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4206000 3936.5705 20249.7109 14399.8663 247.5883 -203218.6811 2639.0711 0.0000 0.0000 51946.5217 -109799.3523 298.5374 -161745.8740 -109428.3690 298.9646 -29.6605 7.5508 760828.6775 -0.9907 -0.8821 PRESSURE: 4206200 -159.062 -243.948 -180.466 -243.948 -509.784 252.377 -180.466 252.378 -320.495 GPRESSURE: 4206200 -192.93 -296.454 -111.926 -239.701 -438.666 194.444 -139.281 323.957 -267.415 PRESSAVG: 4206200 37.0968 -37.1348 32.6455 -37.1348 -41.9062 -13.9866 32.6455 -13.9866 -17.9314 GPRESSAVG: 4206200 38.1115 -38.4663 33.0282 -35.6821 -43.5088 -18.1196 33.433 -14.4405 -17.547 TIMING: 4206200 CPU: 13609.5, 0.00311165/step Wall: 13609.5, 0.00311165/step, 0.686118 hours remaining, 234.882812 MB of memory in use. ENERGY: 4206200 4044.6138 20351.7428 14417.5200 242.4450 -202982.1642 2192.3639 0.0000 0.0000 51958.1486 -109775.3302 298.6042 -161733.4788 -109419.9774 298.6874 -329.7804 -299.6705 762166.5633 -7.5803 -7.6481 PRESSURE: 4206400 -118.777 -340.092 179.83 -340.092 -302.813 95.6952 179.831 95.695 -600.077 GPRESSURE: 4206400 -151.428 -372.959 159.268 -354.37 -330.644 99.896 197.017 120.174 -462.626 PRESSAVG: 4206400 50.5578 -108.9 3.39568 -108.9 -70.3559 8.24673 3.39578 8.24676 17.2109 GPRESSAVG: 4206400 49.7545 -108.287 1.75938 -112.049 -69.26 11.7255 3.84581 8.48245 17.0412 TIMING: 4206400 CPU: 13610.1, 0.00309716/step Wall: 13610.1, 0.00309716/step, 0.682751 hours remaining, 234.882812 MB of memory in use. ENERGY: 4206400 3972.8732 20494.3125 14507.8457 253.1276 -203147.1791 2320.5836 0.0000 0.0000 51783.4162 -109815.0203 297.6000 -161598.4365 -109454.9066 298.4169 -340.5559 -314.8994 761061.8689 -0.8624 -0.8214 PRESSURE: 4206600 69.2266 -21.3125 -184.812 -21.3127 -228.445 -311.175 -184.812 -311.175 197.002 GPRESSURE: 4206600 79.9089 21.9539 -178.579 56.0308 -124.376 -293.033 -268.795 -292.686 156.859 PRESSAVG: 4206600 71.3807 -19.8279 35.167 -19.8279 -69.5521 22.9858 35.1669 22.9858 -7.78748 GPRESSAVG: 4206600 72.8824 -20.6256 37.6379 -17.7119 -70.0469 21.4888 33.0016 22.5303 -9.16562 TIMING: 4206600 CPU: 13610.7, 0.00310413/step Wall: 13610.7, 0.00310413/step, 0.684116 hours remaining, 234.882812 MB of memory in use. ENERGY: 4206600 4001.3946 20670.8006 14382.7175 261.9034 -203708.5112 2519.3436 0.0000 0.0000 52096.9389 -109775.4125 299.4018 -161872.3514 -109426.4580 298.6930 12.5948 37.4640 759253.0820 -1.9863 -2.1101 PRESSURE: 4206800 273.418 -363.941 87.2239 -363.942 220.356 -17.3338 87.2245 -17.3336 369.546 GPRESSURE: 4206800 328.33 -397.539 -59.722 -283.151 176.65 13.9375 136.411 45.5516 436.013 PRESSAVG: 4206800 96.489 -41.5078 -9.83994 -41.5078 -61.2363 -43.843 -9.83996 -43.843 11.0258 GPRESSAVG: 4206800 94.789 -40.1759 -12.2365 -43.6699 -61.284 -42.5148 -7.77957 -44.5553 12.5451 TIMING: 4206800 CPU: 13611.4, 0.00312339/step Wall: 13611.4, 0.00312339/step, 0.688187 hours remaining, 234.882812 MB of memory in use. ENERGY: 4206800 3902.3374 20429.4638 14491.5840 251.6267 -203660.7974 2796.6428 0.0000 0.0000 52142.8822 -109646.2605 299.6659 -161789.1427 -109279.5121 298.9401 287.7731 313.6644 760833.8073 15.4262 15.3500 PRESSURE: 4207000 -67.3198 21.4232 164.643 21.4236 -354.233 20.0092 164.644 20.0096 127.235 GPRESSURE: 4207000 -38.9311 -17.5046 159.692 -76.0483 -352.976 14.931 75.5468 89.8562 182.211 PRESSAVG: 4207000 72.24 -51.0984 43.6627 -51.0984 -76.4312 30.5293 43.6627 30.5293 4.65834 GPRESSAVG: 4207000 73.7776 -51.5575 45.2343 -51.4982 -76.584 27.9916 43.6697 30.7173 4.04854 TIMING: 4207000 CPU: 13612, 0.00313163/step Wall: 13612, 0.00313163/step, 0.689828 hours remaining, 234.882812 MB of memory in use. ENERGY: 4207000 3979.8517 20428.2605 14468.4390 235.8988 -203754.0959 2627.5438 0.0000 0.0000 52165.4258 -109848.6763 299.7954 -162014.1021 -109491.2771 299.2827 -98.1062 -69.8988 761863.0217 0.1557 0.4140 PRESSURE: 4207200 -107.49 -107.91 -16.5759 -107.91 -314.991 -26.3686 -16.5764 -26.3681 -137.141 GPRESSURE: 4207200 -163.424 50.1544 66.6826 -118.384 -224.745 -8.30335 -95.2253 -18.2256 -83.5121 PRESSAVG: 4207200 94.0867 -72.307 11.9446 -72.307 -37.8402 -52.2443 11.9445 -52.2444 3.09636 GPRESSAVG: 4207200 93.0226 -73.7069 10.1984 -71.8948 -37.0164 -51.8403 11.7399 -51.303 3.12119 TIMING: 4207200 CPU: 13612.6, 0.00312339/step Wall: 13612.6, 0.00312339/step, 0.687841 hours remaining, 234.882812 MB of memory in use. ENERGY: 4207200 3948.1146 20409.1023 14497.6085 263.6646 -203405.5003 2435.8031 0.0000 0.0000 52123.5712 -109727.6359 299.5549 -161851.2072 -109361.8538 298.8689 -186.5407 -157.2271 761574.4820 19.7809 19.7092 PRESSURE: 4207400 180.208 -48.8206 -150.765 -48.8201 -1.06596 -122.718 -150.766 -122.717 69.3048 GPRESSURE: 4207400 182.534 -97.8801 -150.872 -32.4163 25.1081 -63.1894 -22.631 -267.209 133.08 PRESSAVG: 4207400 18.8184 -76.0105 -46.0339 -76.0105 -36.0797 -61.8529 -46.0339 -61.8529 -10.6369 GPRESSAVG: 4207400 19.4297 -76.6471 -46.2619 -75.2776 -36.6584 -62.3188 -45.2633 -63.6185 -10.8627 TIMING: 4207400 CPU: 13613.2, 0.00312478/step Wall: 13613.2, 0.00312478/step, 0.687973 hours remaining, 234.882812 MB of memory in use. ENERGY: 4207400 3998.1481 20466.5577 14554.6526 260.7557 -204030.2907 2818.5318 0.0000 0.0000 52111.9982 -109819.6468 299.4884 -161931.6449 -109458.3615 299.0537 82.8157 113.5741 760842.6221 -9.2994 -9.3638 PRESSURE: 4207600 -184.181 -59.7287 11.8564 -59.7291 79.4955 -72.2223 11.8567 -72.2219 99.1243 GPRESSURE: 4207600 -69.2198 27.879 92.6177 18.0754 111.934 10.5032 -51.0872 2.47184 58.5701 PRESSAVG: 4207600 50.8668 -83.7205 13.3341 -83.7206 10.0261 -23.2584 13.3341 -23.2583 5.65048 GPRESSAVG: 4207600 49.4777 -81.3928 15.6058 -82.769 11.0894 -23.3882 12.3734 -22.7248 6.35101 TIMING: 4207600 CPU: 13613.9, 0.00311918/step Wall: 13613.9, 0.00311918/step, 0.686567 hours remaining, 234.882812 MB of memory in use. ENERGY: 4207600 3962.0980 20437.0050 14509.7598 238.5686 -203083.8386 2410.6956 0.0000 0.0000 51996.4388 -109529.2727 298.8242 -161525.7116 -109177.1028 299.4198 -1.8538 33.7613 760574.0829 22.1812 22.3060 PRESSURE: 4207800 53.6679 -115.269 314.243 -115.269 -102.405 -142.748 314.244 -142.749 215.693 GPRESSURE: 4207800 57.3135 -170.748 300.584 -172.554 15.1904 -75.3719 260.712 -253.436 198.144 PRESSAVG: 4207800 50.6319 -96.7724 39.2399 -96.7724 -77.8991 -16.6979 39.2399 -16.6978 -1.07386 GPRESSAVG: 4207800 51.6391 -96.8031 37.595 -97.3283 -79.2367 -17.461 40.0095 -15.2015 -0.985773 TIMING: 4207800 CPU: 13614.5, 0.00313293/step Wall: 13614.5, 0.00313293/step, 0.689419 hours remaining, 234.882812 MB of memory in use. ENERGY: 4207800 3918.8419 20406.0391 14500.4745 252.8792 -203604.3223 2621.4727 0.0000 0.0000 52381.9163 -109522.6986 301.0396 -161904.6149 -109155.2153 299.5177 55.6521 90.2160 758533.8246 -9.4470 -9.5278 PRESSURE: 4208000 -394.638 -92.6422 -47.4702 -92.642 -226.989 -24.4286 -47.4703 -24.4285 -421.788 GPRESSURE: 4208000 -328.394 -143.585 -39.9043 -198.729 -264.192 90.7652 32.0055 24.8034 -364.715 PRESSAVG: 4208000 57.5368 -70.2131 -0.40499 -70.2131 -38.4034 0.343543 -0.405012 0.343543 12.1902 GPRESSAVG: 4208000 56.0083 -74.5252 1.01757 -70.8666 -37.6977 2.35901 -2.01668 -0.32288 12.5815 TIMING: 4208000 CPU: 13615.1, 0.00311122/step Wall: 13615.1, 0.00311122/step, 0.684468 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4208000 3960.7846 20507.8586 14529.6152 256.1580 -203191.5754 2277.4104 0.0000 0.0000 52083.8141 -109575.9345 299.3264 -161659.7485 -109214.2545 299.4627 -347.8050 -319.1003 763218.2402 10.4412 10.2973 PRESSURE: 4208200 -133.141 -201.362 -98.7804 -201.363 -226.698 75.3996 -98.7803 75.4003 -123.535 GPRESSURE: 4208200 -165.934 -285.861 -96.9061 -209.013 -141.406 52.1843 -38.6421 180.58 -105.73 PRESSAVG: 4208200 49.3293 -24.7055 -39.1127 -24.7054 -26.3896 -22.7107 -39.1127 -22.7107 20.0249 GPRESSAVG: 4208200 51.0693 -21.2053 -41.1459 -26.6079 -26.8801 -21.6552 -37.6939 -22.7474 18.9303 TIMING: 4208200 CPU: 13615.7, 0.00310229/step Wall: 13615.7, 0.00310229/step, 0.682332 hours remaining, 234.882812 MB of memory in use. ENERGY: 4208200 3920.3431 20598.4026 14490.0682 238.0506 -203374.0900 2622.9442 0.0000 0.0000 51912.7062 -109591.5750 298.3430 -161504.2812 -109236.3691 299.1972 -161.1245 -137.6901 761147.4757 14.3215 14.3732 LDB: ============= START OF LOAD BALANCING ============== 13628.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13628.1 LDB: =============== DONE WITH MIGRATION ================ 13628.1 LDB: ============= START OF LOAD BALANCING ============== 13628.5 LDB: Largest compute 7068 load 0.033316 is 17.0% of average load 0.195528 LDB: Average compute 0.004383 is 2.2% of average load 0.195528 LDB: TIME 13628.5 LOAD: AVG 0.195528 MAX 0.21112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.5 MB LDB: TIME 13628.5 LOAD: AVG 0.195528 MAX 0.21112 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 13628.5 LOAD: AVG 0.195528 MAX 0.21112 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 13628.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13628.5 PRESSURE: 4208400 258.906 -51.3471 -80.7541 -51.3473 -59.8072 324.663 -80.7542 324.664 385.35 GPRESSURE: 4208400 292.184 -132.87 -83.6402 62.9025 -17.861 221.544 -70.9561 278.896 390.235 PRESSAVG: 4208400 93.8531 -38.7343 41.3817 -38.7343 -53.8596 -12.0253 41.3816 -12.0254 -3.97115 GPRESSAVG: 4208400 92.7751 -40.4405 42.7166 -35.9009 -53.9932 -15.0813 41.5847 -10.9554 -2.9929 TIMING: 4208400 CPU: 13616.4, 0.00318996/step Wall: 13616.4, 0.00318996/step, 0.701436 hours remaining, 234.687500 MB of memory in use. ENERGY: 4208400 4082.8003 20580.1211 14517.2679 247.4416 -203937.4974 2780.1282 0.0000 0.0000 52028.9378 -109700.8005 299.0110 -161729.7383 -109337.9288 298.7027 194.8165 221.5193 757445.4124 12.0075 11.9297 PRESSURE: 4208600 -174.489 -11.6143 -131.346 -11.6143 68.8936 -256.808 -131.346 -256.809 -185.728 GPRESSURE: 4208600 -65.2978 -18.5961 -121.013 -62.9039 3.53666 -227.911 -109.562 -164.722 -131.454 PRESSAVG: 4208600 20.8505 -41.5054 -4.92662 -41.5054 -21.9255 -32.8364 -4.92665 -32.8365 13.2631 GPRESSAVG: 4208600 21.7008 -39.4401 -4.76343 -43.255 -22.7356 -30.5541 -4.32408 -33.4784 13.3253 TIMING: 4208600 CPU: 13617, 0.00313732/step Wall: 13617, 0.00313732/step, 0.689687 hours remaining, 234.890625 MB of memory in use. ENERGY: 4208600 4092.9385 20559.6873 14523.3251 252.5019 -203342.9499 2183.1426 0.0000 0.0000 51977.4396 -109753.9150 298.7151 -161731.3546 -109389.6311 298.8373 -97.1076 -64.4052 759199.5476 4.0627 4.0968 PRESSURE: 4208800 65.9296 -93.4087 300.463 -93.409 -172.462 75.7812 300.463 75.7809 132.4 GPRESSURE: 4208800 138.659 -176.203 218.617 -158.806 -241.248 144.904 260.297 53.8977 204.916 PRESSAVG: 4208800 34.5087 0.243681 9.24803 0.243668 -29.1044 15.6318 9.248 15.6318 8.65156 GPRESSAVG: 4208800 33.8055 -0.428863 7.53532 -1.74918 -28.0282 14.601 7.25887 15.6863 7.93991 TIMING: 4208800 CPU: 13617.6, 0.00311208/step Wall: 13617.6, 0.00311208/step, 0.683965 hours remaining, 234.890625 MB of memory in use. ENERGY: 4208800 4018.8428 20483.9830 14483.9676 247.1658 -203549.6216 2440.5446 0.0000 0.0000 52038.0459 -109837.0720 299.0634 -161875.1179 -109477.9452 299.2230 8.6223 34.1090 761923.4787 4.6853 4.5724 PRESSURE: 4209000 143.401 218.319 323.332 218.32 -85.7186 90.5895 323.331 90.5886 297.51 GPRESSURE: 4209000 209.847 141.12 272.54 132.877 0.792018 110.423 153.429 -20.4006 222.925 PRESSAVG: 4209000 61.9757 -37.1433 55.1683 -37.1433 -65.1633 -11.7967 55.1683 -11.7967 7.86229 GPRESSAVG: 4209000 61.7595 -37.1736 56.5568 -34.8642 -64.9168 -10.8903 53.1469 -14.5634 7.9948 TIMING: 4209000 CPU: 13618.2, 0.00312152/step Wall: 13618.2, 0.00312152/step, 0.685867 hours remaining, 234.890625 MB of memory in use. ENERGY: 4209000 3970.0096 20540.6824 14500.3438 252.8063 -203528.6233 2596.8419 0.0000 0.0000 51851.2017 -109816.7376 297.9896 -161667.9394 -109457.5773 298.8287 118.3973 144.5213 759351.4692 1.5582 1.6125 PRESSURE: 4209200 179.112 -234.469 151.464 -234.469 296.422 -270.288 151.465 -270.288 -0.661715 GPRESSURE: 4209200 237.763 -185.352 140.597 -144.198 276.203 -274.597 176.327 -232.174 38.2067 PRESSAVG: 4209200 56.817 -27.5427 -5.45705 -27.5428 -75.0815 -25.7225 -5.45704 -25.7224 -20.9543 GPRESSAVG: 4209200 57.3189 -28.0231 -6.83095 -26.2998 -75.2541 -26.5283 -3.46494 -22.9845 -21.4423 TIMING: 4209200 CPU: 13618.9, 0.00312134/step Wall: 13618.9, 0.00312134/step, 0.685654 hours remaining, 234.890625 MB of memory in use. ENERGY: 4209200 3935.0700 20407.5393 14475.8308 254.4414 -203188.4403 2556.3553 0.0000 0.0000 51939.2839 -109619.9196 298.4958 -161559.2035 -109259.4628 298.7312 158.2908 184.0577 762440.9216 -13.0729 -13.1258 PRESSURE: 4209400 117.372 56.3791 24.8517 56.3788 18.4413 127.928 24.8516 127.928 217.639 GPRESSURE: 4209400 53.5183 5.47095 35.0477 79.9288 76.7564 153.484 -26.4992 104.787 297.79 PRESSAVG: 4209400 11.2383 -53.307 23.8298 -53.3071 -51.3583 -8.97688 23.8297 -8.97682 10.7696 GPRESSAVG: 4209400 10.7977 -52.595 25.3315 -54.4246 -51.4791 -9.61082 25.0812 -10.2053 11.1386 TIMING: 4209400 CPU: 13619.5, 0.00314215/step Wall: 13619.5, 0.00314215/step, 0.690051 hours remaining, 234.890625 MB of memory in use. ENERGY: 4209400 3995.9259 20483.4390 14455.8794 231.5882 -203921.2507 2958.3281 0.0000 0.0000 52030.4363 -109765.6540 299.0196 -161796.0902 -109407.1506 299.2970 117.8177 142.6881 761598.1496 -9.7835 -9.8476 PRESSURE: 4209600 -11.8616 -374.47 -45.7089 -374.47 18.7797 -140.3 -45.7088 -140.3 69.1049 GPRESSURE: 4209600 -12.469 -286.325 -94.5768 -298.086 119.607 -90.5487 95.8584 -135.232 35.7183 PRESSAVG: 4209600 32.6758 -28.0088 25.3457 -28.0088 7.67756 21.0894 25.3456 21.0894 -27.6527 GPRESSAVG: 4209600 33.6023 -26.7756 24.6498 -29.248 6.72903 22.5005 25.7456 21.0462 -26.9736 TIMING: 4209600 CPU: 13620.1, 0.00314474/step Wall: 13620.1, 0.00314474/step, 0.690445 hours remaining, 234.890625 MB of memory in use. ENERGY: 4209600 3959.0480 20699.9900 14505.4182 253.1471 -203531.9911 2645.7854 0.0000 0.0000 51594.8586 -109873.7438 296.5164 -161468.6024 -109511.6688 298.6141 25.3410 47.6189 760126.6495 4.2336 4.4526 PRESSURE: 4209800 -99.845 150.912 27.613 150.912 -16.1312 9.32307 27.6128 9.32421 -195.284 GPRESSURE: 4209800 -83.5593 172.357 96.3216 149.064 -11.6112 -71.3269 44.433 25.0407 -150.38 PRESSAVG: 4209800 63.5708 -9.4951 20.1136 -9.49505 -72.5316 12.857 20.1136 12.8569 -9.40339 GPRESSAVG: 4209800 62.4713 -11.1003 19.0135 -7.71975 -71.413 12.2878 20.8931 14.1987 -9.55109 TIMING: 4209800 CPU: 13620.8, 0.0031384/step Wall: 13620.8, 0.0031384/step, 0.688879 hours remaining, 235.097656 MB of memory in use. ENERGY: 4209800 4024.8127 20496.5750 14500.6169 230.7382 -203705.1537 2534.6591 0.0000 0.0000 52078.3384 -109839.4133 299.2949 -161917.7518 -109478.8852 298.9672 -103.7535 -81.8501 760518.1266 -6.1214 -6.1643 PRESSURE: 4210000 -45.7664 154.982 130.64 154.982 -268.057 -95.9514 130.64 -95.951 -34.1979 GPRESSURE: 4210000 5.78379 158.663 209.847 113.747 -184.744 -31.3556 174.01 -115.196 -74.2295 PRESSAVG: 4210000 10.9886 -12.7096 -20.6751 -12.7096 -28.3166 -16.5001 -20.6751 -16.5001 -9.26338 GPRESSAVG: 4210000 12.024 -11.9709 -18.7832 -12.3829 -28.712 -16.7727 -23.3067 -18.9996 -9.63408 TIMING: 4210000 CPU: 13621.4, 0.00312655/step Wall: 13621.4, 0.00312655/step, 0.686105 hours remaining, 235.097656 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: 4210000 3945.8577 20468.8649 14607.9952 266.3013 -202952.9602 2126.0926 0.0000 0.0000 51986.0826 -109551.7659 298.7647 -161537.8485 -109178.0722 298.6013 -116.0071 -84.3967 761100.3900 -8.8638 -8.7740 PRESSURE: 4210200 -29.7693 105.013 400.339 105.013 219.374 102.938 400.338 102.939 188.854 GPRESSURE: 4210200 -35.8825 42.8669 340.19 96.4378 329.857 152.901 315.531 195.522 182.753 PRESSAVG: 4210200 50.5625 27.4235 -8.29287 27.4236 -59.4929 -4.29773 -8.29288 -4.29777 -12.1884 GPRESSAVG: 4210200 49.4634 27.3841 -10.8028 26.4539 -59.0002 -3.14146 -6.10677 -4.78317 -11.2925 TIMING: 4210200 CPU: 13622, 0.00312536/step Wall: 13622, 0.00312536/step, 0.685668 hours remaining, 235.097656 MB of memory in use. ENERGY: 4210200 3968.4273 20616.0287 14427.7384 240.4760 -203740.8876 2848.8996 0.0000 0.0000 51993.3104 -109646.0071 298.8063 -161639.3175 -109278.3000 299.4446 126.1528 158.9092 760354.0340 -7.0396 -6.9431 PRESSURE: 4210400 -117.017 -11.8636 107.602 -11.8631 -101.183 140.683 107.602 140.684 -108.954 GPRESSURE: 4210400 9.86625 -84.9546 77.4037 -31.3451 -126.402 135.454 111.881 5.4085 -110.021 PRESSAVG: 4210400 67.4937 -37.7041 -10.6352 -37.7041 -24.1547 -25.976 -10.6351 -25.976 -15.0709 GPRESSAVG: 4210400 67.2979 -38.1956 -8.61399 -38.8569 -23.0192 -26.4776 -11.4326 -25.0477 -15.8102 TIMING: 4210400 CPU: 13622.6, 0.00313137/step Wall: 13622.6, 0.00313137/step, 0.686813 hours remaining, 235.097656 MB of memory in use. ENERGY: 4210400 3961.5458 20593.8635 14474.5862 239.2095 -204128.4497 2879.7700 0.0000 0.0000 52097.9087 -109881.5659 299.4074 -161979.4746 -109520.0340 299.0301 -109.0514 -75.5191 760515.9993 9.4227 9.4895 PRESSURE: 4210600 185.138 -53.5215 65.5986 -53.5208 41.1435 241.141 65.5989 241.141 167.16 GPRESSURE: 4210600 151.413 -49.6829 76.8811 -44.5729 187.235 334.545 248.339 170.424 141.78 PRESSAVG: 4210600 25.9933 -12.3223 24.6541 -12.3223 -47.1468 4.02832 24.6541 4.0284 -1.25753 GPRESSAVG: 4210600 26.8276 -10.8981 24.8552 -8.51544 -49.0615 5.21421 26.6243 4.58115 -0.00381967 TIMING: 4210600 CPU: 13623.3, 0.00311944/step Wall: 13623.3, 0.00311944/step, 0.684024 hours remaining, 235.097656 MB of memory in use. ENERGY: 4210600 3969.2134 20548.0204 14514.1594 236.3096 -203777.3089 2630.7369 0.0000 0.0000 51749.1689 -110129.7004 297.4032 -161878.8692 -109771.0002 298.3070 131.1470 160.1422 760120.8074 -7.4703 -7.4126 PRESSURE: 4210800 -27.6807 179.175 -73.255 179.175 -302.435 93.5854 -73.2546 93.5844 107.373 GPRESSURE: 4210800 -17.4165 105.198 -90.5584 120.162 -273.045 120.606 70.6249 41.2272 158.185 PRESSAVG: 4210800 19.3805 20.645 18.2074 20.6451 -82.5389 55.4638 18.2075 55.4638 23.2628 GPRESSAVG: 4210800 18.8528 20.5537 17.7111 16.4823 -80.764 54.4393 16.9805 53.2159 21.7598 TIMING: 4210800 CPU: 13623.9, 0.00312682/step Wall: 13623.9, 0.00312682/step, 0.685468 hours remaining, 235.097656 MB of memory in use. ENERGY: 4210800 3955.9289 20314.9401 14505.2125 231.5400 -203631.1024 2487.2349 0.0000 0.0000 51991.0029 -110145.2432 298.7930 -162136.2461 -109780.6955 297.9141 -74.2475 -44.0923 762162.4221 -13.2985 -13.3838 PRESSURE: 4211000 32.1674 -3.95873 176.729 -3.95767 241.997 197.999 176.73 197.999 92.0246 GPRESSURE: 4211000 50.806 -24.3532 212.025 -30.0649 332.657 168.243 193.258 328.113 57.7367 PRESSAVG: 4211000 -30.0397 11.8677 41.8623 11.8677 -7.18079 -33.6896 41.8623 -33.6896 4.61419 GPRESSAVG: 4211000 -30.5986 10.3901 41.3065 13.9363 -7.5805 -33.5107 42.4584 -31.5838 5.66066 TIMING: 4211000 CPU: 13624.5, 0.00313547/step Wall: 13624.5, 0.00313547/step, 0.687191 hours remaining, 235.097656 MB of memory in use. ENERGY: 4211000 3919.8244 20395.0684 14519.0639 253.9110 -203664.2189 2715.1610 0.0000 0.0000 51832.8571 -110028.3331 297.8841 -161861.1902 -109662.4536 297.7347 122.0631 147.0666 759575.7655 -10.8688 -10.8395 PRESSURE: 4211200 -182.349 28.9629 -52.8811 28.9636 -246.891 -7.95058 -52.8805 -7.94988 -927.79 GPRESSURE: 4211200 -198.292 99.3655 -38.2901 -20.3685 -220.495 -67.5871 -61.3338 -41.4442 -836.197 PRESSAVG: 4211200 70.4057 -30.5985 12.7296 -30.5985 -40.417 10.7797 12.7296 10.7795 -15.9191 GPRESSAVG: 4211200 71.2601 -30.7426 13.64 -30.8406 -41.3339 11.9828 11.5188 9.70634 -15.5325 TIMING: 4211200 CPU: 13625.1, 0.00311806/step Wall: 13625.1, 0.00311806/step, 0.683202 hours remaining, 235.097656 MB of memory in use. ENERGY: 4211200 3952.9334 20491.0464 14457.4014 248.1504 -203239.0697 2196.4194 0.0000 0.0000 51861.7860 -110031.3328 298.0504 -161893.1188 -109669.7626 298.1725 -452.3436 -418.3280 763015.5927 4.6899 4.7979 PRESSURE: 4211400 -56.3415 -173.908 -112.068 -173.909 29.6643 247.532 -112.069 247.532 -264.314 GPRESSURE: 4211400 25.474 -128.855 -34.4652 -183.598 -22.3773 179.714 -170.726 222.984 -236.05 PRESSAVG: 4211400 66.2222 -55.9653 44.6477 -55.9652 -93.9779 10.3815 44.6478 10.3815 -5.57237 GPRESSAVG: 4211400 66.0154 -55.9803 44.044 -55.5931 -94.1091 7.72018 43.8228 11.6088 -5.31037 TIMING: 4211400 CPU: 13625.7, 0.00310613/step Wall: 13625.7, 0.00310613/step, 0.680415 hours remaining, 235.097656 MB of memory in use. ENERGY: 4211400 3908.0121 20553.5515 14497.1320 261.0384 -203515.1767 2468.8484 0.0000 0.0000 51759.9889 -110066.6055 297.4654 -161826.5943 -109697.3183 298.1504 -96.9972 -77.6512 762226.2982 -11.1094 -11.1347 PRESSURE: 4211600 127.094 -169.457 -166.284 -169.457 -23.5486 66.8117 -166.284 66.8102 -147.596 GPRESSURE: 4211600 165.834 -115.699 -119.682 -224.544 -27.7728 165.339 -51.7378 69.1625 -97.3945 PRESSAVG: 4211600 33.9812 -37.3106 76.9112 -37.3106 -12.6948 -5.85428 76.9113 -5.85432 -10.527 GPRESSAVG: 4211600 34.4495 -36.8098 77.3577 -37.263 -12.3134 -2.70983 78.1274 -5.48565 -11.4081 TIMING: 4211600 CPU: 13626.4, 0.00313394/step Wall: 13626.4, 0.00313394/step, 0.686333 hours remaining, 235.097656 MB of memory in use. ENERGY: 4211600 3981.6791 20443.9161 14445.7568 247.4060 -203502.9813 2551.3577 0.0000 0.0000 51777.0859 -110055.7797 297.5636 -161832.8656 -109687.5619 297.2776 -14.6835 13.5556 761065.0989 3.5865 3.5760 PRESSURE: 4211800 72.3664 -296.583 63.7423 -296.583 271.461 74.2751 63.7426 74.2748 -409.097 GPRESSURE: 4211800 147.448 -313.496 67.8517 -333.833 189.045 -86.0154 74.9297 2.01235 -341.564 PRESSAVG: 4211800 -3.72483 -16.4241 4.14763 -16.4241 5.42119 8.97274 4.1476 8.97276 4.053 GPRESSAVG: 4211800 -2.75984 -15.3029 3.7769 -18.1866 3.93876 6.25223 4.0522 7.17726 4.60789 TIMING: 4211800 CPU: 13627, 0.00313321/step Wall: 13627, 0.00313321/step, 0.685999 hours remaining, 235.097656 MB of memory in use. ENERGY: 4211800 3960.7686 20514.8711 14505.7225 234.7287 -204027.6182 2900.9614 0.0000 0.0000 52089.6247 -109820.9412 299.3598 -161910.5659 -109465.3671 298.4341 -21.7564 -1.6900 760164.8010 1.9165 1.9289 PRESSURE: 4212000 24.2637 -63.5388 14.2137 -63.5384 319.606 -120.321 14.2127 -120.322 716.979 GPRESSURE: 4212000 -1.19819 -61.9955 98.2662 -130.119 343.787 -20.1367 3.13684 -151.775 785.474 PRESSAVG: 4212000 65.0504 -101.456 -29.4696 -101.456 -22.4594 -3.61384 -29.4696 -3.61379 6.63707 GPRESSAVG: 4212000 64.1174 -103.295 -29.1869 -99.8949 -22.9178 -2.45782 -31.332 -3.10577 7.39027 TIMING: 4212000 CPU: 13627.6, 0.00312414/step Wall: 13627.6, 0.00312414/step, 0.68384 hours remaining, 235.097656 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: 4212000 3896.2453 20349.2278 14476.5474 232.6364 -204071.2955 3034.9974 0.0000 0.0000 52192.8751 -109888.7661 299.9532 -162081.6413 -109519.7134 298.9315 353.6161 376.0209 762166.4168 16.4093 16.1966 PRESSURE: 4212200 -154.894 -205.28 -31.3873 -205.28 -214.474 293.991 -31.3873 293.991 165.876 GPRESSURE: 4212200 -46.6686 -349.324 19.9527 -210.943 -197.694 298.229 -0.91974 344.082 124.524 PRESSAVG: 4212200 -9.15978 -64.8949 -36.3488 -64.8948 -15.2471 24.2393 -36.3489 24.2394 1.85343 GPRESSAVG: 4212200 -8.82652 -63.8017 -37.3478 -66.2587 -14.1093 24.8583 -33.3042 24.4683 0.511989 TIMING: 4212200 CPU: 13628.3, 0.00314666/step Wall: 13628.3, 0.00314666/step, 0.688593 hours remaining, 235.097656 MB of memory in use. ENERGY: 4212200 3942.6674 20624.1760 14535.2276 221.8632 -203757.3698 2724.0418 0.0000 0.0000 51919.9894 -109789.4043 298.3849 -161709.3937 -109439.3942 298.0377 -67.8305 -39.9462 761767.9816 -7.5178 -7.4746 LDB: ============= START OF LOAD BALANCING ============== 13640.7 LDB: ============== END OF LOAD BALANCING =============== 13640.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13640.7 LDB: ============= START OF LOAD BALANCING ============== 13641 LDB: Largest compute 7058 load 0.034611 is 17.7% of average load 0.195583 LDB: Average compute 0.004374 is 2.2% of average load 0.195583 LDB: TIME 13641 LOAD: AVG 0.195583 MAX 0.214853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.137 MB LDB: TIME 13641 LOAD: AVG 0.195583 MAX 0.214853 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: TIME 13641 LOAD: AVG 0.195583 MAX 0.214853 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: ============== END OF LOAD BALANCING =============== 13641 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 PRESSURE: 4212400 -157.084 -255.498 -25.3872 -255.499 -211.976 -163.239 -25.3866 -163.239 152.156 GPRESSURE: 4212400 -173.964 -235.791 14.6216 -178.691 -104.591 -84.3603 -112.179 -275.889 143.402 PRESSAVG: 4212400 57.3172 -57.6333 -13.3784 -57.6333 -39.5786 -12.3097 -13.3783 -12.3098 -55.2944 GPRESSAVG: 4212400 56.4868 -57.6517 -12.0939 -55.7539 -39.6449 -10.8826 -13.1847 -14.3355 -54.6279 TIMING: 4212400 CPU: 13628.9, 0.0032218/step Wall: 13628.9, 0.0032218/step, 0.704858 hours remaining, 233.968750 MB of memory in use. ENERGY: 4212400 3983.9631 20540.4620 14470.8706 258.0490 -203517.6179 2701.1542 0.0000 0.0000 51888.4796 -109674.6395 298.2038 -161563.1191 -109318.8294 298.5893 -72.3014 -45.0507 763114.5100 -12.5186 -12.5953 PRESSURE: 4212600 -235.355 -220.122 -37.75 -220.123 -316.331 -47.0232 -37.7495 -47.023 171.237 GPRESSURE: 4212600 -196.738 -246 20.5812 -203.241 -194.916 -63.5984 -74.1395 -123.537 104.712 PRESSAVG: 4212600 30.4476 -80.4925 -12.8614 -80.4925 -77.5607 -95.9865 -12.8613 -95.9864 6.12788 GPRESSAVG: 4212600 30.9187 -81.8238 -14.0613 -80.5368 -78.052 -97.9267 -13.4056 -93.8978 6.11687 TIMING: 4212600 CPU: 13629.5, 0.00314773/step Wall: 13629.5, 0.00314773/step, 0.688478 hours remaining, 234.113281 MB of memory in use. ENERGY: 4212600 4012.1217 20514.0286 14442.1361 236.0547 -203217.8365 2402.1522 0.0000 0.0000 52044.5679 -109566.7753 299.1008 -161611.3432 -109199.1054 298.9352 -126.8163 -95.6473 762648.7796 -13.6617 -13.6721 PRESSURE: 4212800 41.0012 -398.628 101.255 -398.629 -125.105 30.763 101.255 30.7632 140.069 GPRESSURE: 4212800 -61.537 -354.605 95.1829 -485.909 -80.0412 35.7034 54.5608 -33.3826 268.445 PRESSAVG: 4212800 10.9771 -101.315 28.4028 -101.315 -38.8375 -34.1966 28.4028 -34.1966 -6.0553 GPRESSAVG: 4212800 10.2706 -98.2307 27.631 -102.03 -37.7481 -33.4769 27.0116 -34.239 -6.39326 TIMING: 4212800 CPU: 13630.2, 0.00313519/step Wall: 13630.2, 0.00313519/step, 0.685563 hours remaining, 234.113281 MB of memory in use. ENERGY: 4212800 3959.1936 20613.2701 14427.2685 230.9730 -203634.0802 2869.2470 0.0000 0.0000 52157.8078 -109376.3201 299.7516 -161534.1280 -109010.8289 299.3667 18.6551 42.2889 761828.9940 -11.3052 -11.2903 PRESSURE: 4213000 -30.362 -97.3817 30.363 -97.3816 -43.7538 24.5582 30.3626 24.5584 124.501 GPRESSURE: 4213000 6.81884 -50.0578 61.0841 -132.199 -0.187657 27.7678 6.84599 83.1752 105.624 PRESSAVG: 4213000 35.9356 -137.686 31.7598 -137.686 -39.5079 -43.5022 31.7598 -43.5021 1.88129 GPRESSAVG: 4213000 36.5691 -140.015 32.6544 -136.706 -40.6033 -42.6652 33.3873 -44.7187 2.29856 TIMING: 4213000 CPU: 13630.8, 0.00314205/step Wall: 13630.8, 0.00314205/step, 0.686887 hours remaining, 234.113281 MB of memory in use. ENERGY: 4213000 3988.8380 20546.8442 14506.9223 259.3848 -203388.1231 2741.2429 0.0000 0.0000 52052.6441 -109292.2468 299.1473 -161344.8909 -108930.9688 299.8277 16.7950 37.4183 762512.7092 -0.5637 -0.5785 PRESSURE: 4213200 -72.0654 -161.55 124.32 -161.55 222.47 -125.757 124.319 -125.755 178.54 GPRESSURE: 4213200 62.3602 -195.853 107.268 -30.207 226.536 -181.039 93.5642 -103.468 111.328 PRESSAVG: 4213200 41.7954 -68.4187 4.93389 -68.4187 -11.1714 -8.20814 4.93384 -8.20809 -9.75747 GPRESSAVG: 4213200 41.8819 -68.431 3.63224 -69.1088 -10.6254 -10.0122 1.94812 -7.70049 -10.2619 TIMING: 4213200 CPU: 13631.4, 0.00314161/step Wall: 13631.4, 0.00314161/step, 0.686615 hours remaining, 234.113281 MB of memory in use. ENERGY: 4213200 4003.7568 20447.7900 14424.2163 228.6296 -203134.9167 2650.7772 0.0000 0.0000 52131.1857 -109248.5612 299.5986 -161379.7469 -108880.0247 299.2639 109.6482 133.4078 760986.5441 6.9555 6.9982 PRESSURE: 4213400 129.646 -122.205 -91.071 -122.204 1.06401 342.703 -91.0713 342.703 352.296 GPRESSURE: 4213400 98.161 36.4024 -109.711 38.4088 117.659 326.439 -95.3766 239.475 342.28 PRESSAVG: 4213400 40.0466 -93.943 7.50025 -93.943 -53.3585 -45.1239 7.50023 -45.1239 1.77768 GPRESSAVG: 4213400 39.0372 -93.185 8.63287 -94.3309 -52.3677 -44.4608 11.861 -45.621 1.80677 TIMING: 4213400 CPU: 13632, 0.00313936/step Wall: 13632, 0.00313936/step, 0.68595 hours remaining, 234.113281 MB of memory in use. ENERGY: 4213400 3931.8853 20449.9664 14469.6893 257.2604 -202944.8824 2388.2276 0.0000 0.0000 52323.7387 -109124.1147 300.7052 -161447.8534 -108768.2231 299.2293 161.0022 186.0335 762028.2277 -3.8447 -3.8412 PRESSURE: 4213600 22.6136 -40.1625 273.87 -40.1628 -277.755 93.0849 273.871 93.0859 -47.9025 GPRESSURE: 4213600 46.1269 -21.2887 205.304 -14.2906 -191.138 137.004 125.59 87.5249 -66.0001 PRESSAVG: 4213600 75.0278 -3.45997 -26.75 -3.46003 -70.5118 -22.1926 -26.75 -22.1925 5.09759 GPRESSAVG: 4213600 75.9552 -2.61185 -27.1834 -3.38589 -70.8385 -22.2483 -30.4084 -23.6811 4.78689 TIMING: 4213600 CPU: 13632.7, 0.00310994/step Wall: 13632.7, 0.00310994/step, 0.67935 hours remaining, 234.113281 MB of memory in use. ENERGY: 4213600 3909.3298 20525.5379 14549.0567 254.5576 -202524.2573 2260.2359 0.0000 0.0000 52055.0966 -108970.4428 299.1614 -161025.5394 -108604.1582 299.7184 -101.0148 -70.3371 762919.9736 3.2045 3.3012 PRESSURE: 4213800 218.716 23.9425 19.831 23.942 -142.003 -26.9067 19.8299 -26.9068 252.083 GPRESSURE: 4213800 179.521 -50.9443 -3.56254 124.869 -62.1875 -83.846 -24.6786 38.7108 277.391 PRESSAVG: 4213800 71.5713 -14.4714 -26.7992 -14.4714 -68.076 -14.2563 -26.7992 -14.2564 7.06823 GPRESSAVG: 4213800 71.7013 -14.2554 -26.8315 -13.5072 -68.2002 -16.1725 -24.4789 -10.9436 7.26765 TIMING: 4213800 CPU: 13633.3, 0.00312156/step Wall: 13633.3, 0.00312156/step, 0.681713 hours remaining, 234.113281 MB of memory in use. ENERGY: 4213800 3895.1569 20467.0183 14479.4658 232.9290 -202908.1678 2482.1146 0.0000 0.0000 52472.1305 -108879.3527 301.5581 -161351.4832 -108506.2700 300.3416 109.5987 131.5748 763429.9320 3.5212 3.5896 PRESSURE: 4214000 66.8122 -85.6704 62.2419 -85.6702 -30.8843 -55.4471 62.2425 -55.4481 -194.851 GPRESSURE: 4214000 73.4622 -80.15 132.522 -93.2203 32.9732 -48.6334 29.3092 -39.4716 -177.511 PRESSAVG: 4214000 74.3283 -55.6946 1.1987 -55.6947 -54.3247 -29.298 1.19866 -29.2979 -12.6812 GPRESSAVG: 4214000 75.5434 -57.9952 1.9548 -56.8969 -55.0877 -26.9337 1.78038 -32.7217 -12.8611 TIMING: 4214000 CPU: 13633.9, 0.00311267/step Wall: 13633.9, 0.00311267/step, 0.679599 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4214000 4048.1257 20475.9616 14548.4526 250.0667 -202970.5937 2522.6205 0.0000 0.0000 52187.6104 -108937.7561 299.9229 -161125.3665 -108578.9977 300.3802 -52.9743 -23.6918 761135.5670 2.4408 2.5315 PRESSURE: 4214200 308.728 -262.156 166.716 -262.157 237.821 47.6429 166.717 47.6433 -166.104 GPRESSURE: 4214200 299.586 -118.287 158.5 -232.785 281.691 9.49022 -43.6866 9.64265 -111.962 PRESSAVG: 4214200 68.3856 -21.6698 5.98093 -21.6699 -83.3313 -26.3504 5.981 -26.3504 -11.9963 GPRESSAVG: 4214200 68.325 -19.4904 6.40911 -22.1936 -83.3601 -26.3984 5.48517 -24.9074 -12.1629 TIMING: 4214200 CPU: 13634.5, 0.0031314/step Wall: 13634.5, 0.0031314/step, 0.683516 hours remaining, 234.113281 MB of memory in use. ENERGY: 4214200 4005.0944 20444.1407 14613.8255 246.6061 -203343.8238 2742.4424 0.0000 0.0000 52187.6133 -109104.1014 299.9229 -161291.7147 -108736.7595 300.0622 126.8149 156.4382 762685.5502 -8.9807 -9.0660 PRESSURE: 4214400 176.758 -179.74 77.711 -179.74 -21.6133 137.26 77.7105 137.261 293.371 GPRESSURE: 4214400 94.0147 -193.882 124.007 -103.559 96.3778 88.9276 123.92 42.567 316.432 PRESSAVG: 4214400 24.4553 -104.163 -9.20539 -104.163 -2.00942 -37.4195 -9.20536 -37.4196 7.67078 GPRESSAVG: 4214400 23.7434 -104.114 -10.0663 -100.913 -1.39292 -38.9997 -8.4293 -35.5127 8.0194 TIMING: 4214400 CPU: 13635.2, 0.00310762/step Wall: 13635.2, 0.00310762/step, 0.678152 hours remaining, 234.113281 MB of memory in use. ENERGY: 4214400 3958.8032 20402.9376 14599.0687 238.6289 -203486.3626 2810.4137 0.0000 0.0000 52272.9827 -109203.5278 300.4136 -161476.5105 -108838.7152 300.1046 149.5053 168.9415 762443.1280 10.0389 10.1233 PRESSURE: 4214600 -68.7398 17.7679 30.6796 17.7681 142.727 -31.6328 30.6803 -31.6335 -73.8095 GPRESSURE: 4214600 -85.2066 -89.4318 34.5166 -39.1643 144.864 -89.9662 -78.527 -120.2 29.7646 PRESSAVG: 4214600 7.33991 -51.4112 -42.0342 -51.4112 -29.8042 -28.9589 -42.0342 -28.959 -19.8049 GPRESSAVG: 4214600 7.32857 -52.4954 -42.5098 -54.5172 -29.6318 -28.9147 -42.1158 -29.2532 -20.0199 TIMING: 4214600 CPU: 13635.8, 0.00313355/step Wall: 13635.8, 0.00313355/step, 0.683635 hours remaining, 234.113281 MB of memory in use. ENERGY: 4214600 3972.6829 20447.7646 14457.4637 253.0751 -203091.9631 2612.9327 0.0000 0.0000 52070.9907 -109277.0535 299.2527 -161348.0442 -108902.0357 299.8200 0.0592 29.8074 763026.6855 -14.0897 -14.1077 PRESSURE: 4214800 214.847 -143.055 -51.3768 -143.056 -23.0044 -81.0744 -51.3766 -81.074 -29.5704 GPRESSURE: 4214800 311.365 -207.959 -51.6796 -68.0947 -32.3113 -145.729 -67.1129 -143.551 -22.8568 PRESSAVG: 4214800 16.4046 -59.7123 -12.9836 -59.7123 1.95386 -47.7994 -12.9836 -47.7995 -0.240707 GPRESSAVG: 4214800 17.009 -58.9117 -11.1037 -58.8193 1.67682 -47.9173 -15.5151 -50.292 -0.94966 TIMING: 4214800 CPU: 13636.4, 0.00313054/step Wall: 13636.4, 0.00313053/step, 0.682804 hours remaining, 234.113281 MB of memory in use. ENERGY: 4214800 3933.5814 20430.3184 14439.3535 251.1816 -203608.8537 2768.3922 0.0000 0.0000 52452.0228 -109334.0039 301.4425 -161786.0267 -108980.9509 299.8428 54.0908 85.3991 761858.9513 6.0392 5.9121 PRESSURE: 4215000 21.2599 -54.4964 -118.508 -54.4958 264.183 -216.002 -118.507 -216.003 -340.031 GPRESSURE: 4215000 -13.2619 -44.7357 -146.595 -109.828 320.049 -224.396 -27.8298 -143.75 -268.21 PRESSAVG: 4215000 47.8053 -39.6066 7.88536 -39.6067 -35.1084 -35.5261 7.88532 -35.5262 -14.961 GPRESSAVG: 4215000 47.4668 -38.923 6.28946 -40.3372 -34.7224 -35.2416 9.4177 -32.9597 -14.2933 TIMING: 4215000 CPU: 13637, 0.00311956/step Wall: 13637, 0.00311956/step, 0.680236 hours remaining, 234.113281 MB of memory in use. ENERGY: 4215000 3966.6058 20587.1809 14382.3288 238.8866 -203226.6684 2537.6998 0.0000 0.0000 52222.0036 -109291.9629 300.1206 -161513.9665 -108936.6828 299.7201 -18.1962 12.8591 761686.7511 -0.7547 -0.5163 PRESSURE: 4215200 -338.592 -135.221 -45.5573 -135.222 -36.992 82.5603 -45.5574 82.5605 211.361 GPRESSURE: 4215200 -294.415 -273.522 -68.519 -140.607 -9.22245 108.619 -37.9224 77.6146 214.186 PRESSAVG: 4215200 -17.1653 -50.3164 -3.21094 -50.3164 -0.174756 -48.4673 -3.21094 -48.4674 3.25981 GPRESSAVG: 4215200 -16.5489 -50.2936 -3.89433 -50.1242 -0.618569 -47.1426 -0.806387 -50.181 3.26515 TIMING: 4215200 CPU: 13637.7, 0.0031172/step Wall: 13637.7, 0.0031172/step, 0.67955 hours remaining, 234.371094 MB of memory in use. ENERGY: 4215200 4117.8005 20465.1363 14440.8581 231.8767 -203356.3182 2650.8010 0.0000 0.0000 52249.4654 -109200.3803 300.2784 -161449.8457 -108834.4279 299.5959 -54.7410 -29.8171 760673.8936 -4.6934 -4.6341 PRESSURE: 4215400 73.0356 175.045 20.6096 175.046 121.98 -288.542 20.61 -288.542 -60.3453 GPRESSURE: 4215400 121.759 253.102 22.2855 174.085 103.507 -268.033 -21.5893 -470.665 4.19806 PRESSAVG: 4215400 13.2887 -19.4916 16.6977 -19.4917 -3.24035 15.9354 16.6977 15.9355 2.68301 GPRESSAVG: 4215400 12.1402 -21.7845 17.7866 -19.466 -2.13727 15.7949 14.7021 15.4654 2.99207 TIMING: 4215400 CPU: 13638.3, 0.00312883/step Wall: 13638.3, 0.00312883/step, 0.68191 hours remaining, 234.371094 MB of memory in use. ENERGY: 4215400 4019.3511 20473.8289 14547.7416 240.9834 -203518.2695 2595.2027 0.0000 0.0000 52343.7235 -109297.4383 300.8201 -161641.1618 -108922.0987 300.0771 44.8899 76.4880 759884.1370 4.2438 4.3317 PRESSURE: 4215600 -159.378 191.571 278.637 191.57 -140.975 6.72106 278.638 6.72141 -380.359 GPRESSURE: 4215600 -132.434 121.041 175.762 157.268 -140.146 28.1693 255.833 143.619 -336.69 PRESSAVG: 4215600 4.31163 -2.49565 34.2172 -2.49568 6.121 -19.9627 34.2172 -19.9627 -6.34978 GPRESSAVG: 4215600 5.73956 -2.06474 35.4064 -2.55816 4.89367 -20.812 33.8778 -19.2101 -6.33871 TIMING: 4215600 CPU: 13638.9, 0.00313537/step Wall: 13638.9, 0.00313537/step, 0.683162 hours remaining, 234.371094 MB of memory in use. ENERGY: 4215600 4008.4401 20452.9264 14480.5257 252.6803 -203217.1411 2406.6673 0.0000 0.0000 52343.1053 -109272.7960 300.8165 -161615.9013 -108914.3974 299.9442 -226.9039 -203.0902 762309.3275 1.3610 1.4315 PRESSURE: 4215800 -174.825 -51.1883 228.84 -51.187 -101.398 57.7231 228.841 57.7226 -96.1103 GPRESSURE: 4215800 -121.529 54.6274 139.496 -60.1807 -32.5696 48.2961 206.17 94.1397 -134.088 PRESSAVG: 4215800 -13.2173 -14.4216 17.8995 -14.4216 0.369979 5.75181 17.8995 5.75184 1.05934 GPRESSAVG: 4215800 -12.3635 -13.3926 17.7956 -13.2819 -0.389563 6.41396 16.8755 4.30867 0.667748 TIMING: 4215800 CPU: 13639.5, 0.00312497/step Wall: 13639.5, 0.00312497/step, 0.680723 hours remaining, 234.371094 MB of memory in use. ENERGY: 4215800 4012.0036 20433.5400 14571.9696 249.2164 -203112.0918 2509.0614 0.0000 0.0000 52149.5826 -109186.7182 299.7044 -161336.3008 -108819.5711 300.0205 -124.1114 -96.0621 762460.0944 -3.9293 -4.0284 PRESSURE: 4216000 -38.0386 129.801 64.003 129.802 -75.7177 -151.122 64.0041 -151.121 179.771 GPRESSURE: 4216000 -19.5133 80.7464 94.9592 64.249 72.0867 -99.7151 46.8917 -188.873 114.852 PRESSAVG: 4216000 18.3227 -9.9243 -11.5898 -9.92429 -15.5923 68.2838 -11.5899 68.2838 -30.1277 GPRESSAVG: 4216000 16.2485 -9.35786 -10.3063 -12.7038 -13.6689 70.0549 -12.17 69.0952 -29.9735 TIMING: 4216000 CPU: 13640.2, 0.00311365/step Wall: 13640.2, 0.00311365/step, 0.678084 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4216000 4007.5917 20592.8383 14511.1224 254.4381 -203118.8425 2464.0549 0.0000 0.0000 52084.5863 -109204.2109 299.3308 -161288.7972 -108847.4684 299.8450 22.0050 55.8085 762298.2265 -9.1325 -9.1313 PRESSURE: 4216200 97.7668 16.2391 -128.032 16.2391 -174.075 218 -128.033 217.999 -460.892 GPRESSURE: 4216200 21.0494 -53.4944 -180.335 -51.2795 -90.4356 161.502 -139.682 182.317 -379.811 PRESSAVG: 4216200 31.588 -3.12559 19.3267 -3.12554 -34.2137 13.662 19.3266 13.662 6.49077 GPRESSAVG: 4216200 31.9519 -3.79735 17.0411 -0.083526 -34.6342 12.3295 20.4576 13.7897 6.84889 TIMING: 4216200 CPU: 13640.8, 0.00312827/step Wall: 13640.8, 0.00312827/step, 0.681095 hours remaining, 234.371094 MB of memory in use. ENERGY: 4216200 3963.9949 20460.0199 14507.4067 262.1655 -203079.1126 2478.2655 0.0000 0.0000 52146.0929 -109261.1673 299.6843 -161407.2601 -108894.0882 299.8665 -179.0669 -149.7322 761445.5896 1.2883 1.3889 LDB: ============= START OF LOAD BALANCING ============== 13653.2 LDB: ============== END OF LOAD BALANCING =============== 13653.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13653.2 LDB: ============= START OF LOAD BALANCING ============== 13653.5 LDB: Largest compute 7055 load 0.032606 is 16.7% of average load 0.195555 LDB: Average compute 0.004387 is 2.2% of average load 0.195555 LDB: TIME 13653.5 LOAD: AVG 0.195555 MAX 0.216567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 13653.5 LOAD: AVG 0.195555 MAX 0.216567 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 13653.5 LOAD: AVG 0.195555 MAX 0.216567 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 13653.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13653.5 PRESSURE: 4216400 -120.743 -73.3235 5.252 -73.3237 124.09 200.616 5.25203 200.616 -138.578 GPRESSURE: 4216400 -124.699 -8.89516 97.8583 -55.4035 147.387 185.218 23.6068 28.2067 -74.9331 PRESSAVG: 4216400 -47.4071 -13.8314 20.1439 -13.8313 25.8381 12.8437 20.144 12.8437 -2.7246 GPRESSAVG: 4216400 -48.7713 -11.5694 19.7726 -17.3449 26.4793 12.3978 19.5506 14.4927 -2.45971 TIMING: 4216400 CPU: 13641.4, 0.00319273/step Wall: 13641.4, 0.00319273/step, 0.694951 hours remaining, 234.812500 MB of memory in use. ENERGY: 4216400 3938.9876 20478.9584 14500.0685 240.2053 -203082.7450 2334.7664 0.0000 0.0000 52164.0718 -109425.6870 299.7876 -161589.7588 -109057.9965 299.5039 -45.0771 -17.4151 760717.7943 -8.0979 -8.2506 PRESSURE: 4216600 -47.9494 -49.7766 -6.03113 -49.7775 -349.226 35.5329 -6.03195 35.5329 20.5375 GPRESSURE: 4216600 -18.7449 1.45058 -21.7527 -129.879 -309.813 101.078 -101.647 -96.4466 30.2041 PRESSAVG: 4216600 31.9127 -50.3349 -41.0327 -50.3349 -41.3996 7.22589 -41.0328 7.22593 -0.481369 GPRESSAVG: 4216600 33.2018 -51.2952 -41.0247 -48.256 -42.7717 7.70514 -38.8649 6.17633 -0.615712 TIMING: 4216600 CPU: 13642, 0.00312334/step Wall: 13642, 0.00312334/step, 0.679673 hours remaining, 235.136719 MB of memory in use. ENERGY: 4216600 4011.8781 20549.5764 14475.9724 253.9436 -203178.6685 2414.1225 0.0000 0.0000 52139.0393 -109334.1362 299.6438 -161473.1755 -108960.4302 299.2557 -125.5459 -99.4513 760236.4386 -3.3227 -3.3952 PRESSURE: 4216800 -63.3885 -155.862 186.159 -155.861 -67.1514 -61.5617 186.16 -61.5625 55.9203 GPRESSURE: 4216800 -48.8879 -173.758 114.501 -198.525 -22.6555 -7.85463 290.763 -67.8387 78.4168 PRESSAVG: 4216800 52.7176 -118.096 25.2151 -118.097 -29.6236 12.2911 25.2151 12.291 27.8177 GPRESSAVG: 4216800 52.7566 -118.413 24.8682 -118.167 -29.6119 12.96 24.1489 11.5526 27.6309 TIMING: 4216800 CPU: 13642.7, 0.0031272/step Wall: 13642.7, 0.0031272/step, 0.68034 hours remaining, 235.148438 MB of memory in use. ENERGY: 4216800 4038.1111 20436.9335 14571.6435 251.3253 -203467.8384 2757.0764 0.0000 0.0000 52137.3914 -109275.3573 299.6343 -161412.7487 -108920.0021 299.7250 -24.8732 2.2911 762051.9574 16.9706 16.9252 PRESSURE: 4217000 83.2719 -178.342 72.8198 -178.342 -223.397 3.14406 72.8193 3.14336 25.7551 GPRESSURE: 4217000 15.7949 -197.121 159.834 -288.756 -32.7794 82.4051 18.3912 -12.4066 18.0861 PRESSAVG: 4217000 -3.79292 -85.0595 29.5968 -85.0595 -46.9835 -13.3985 29.5968 -13.3985 -7.24249 GPRESSAVG: 4217000 -4.32096 -85.6187 30.9065 -84.4209 -46.3331 -13.4703 27.6838 -14.2515 -7.68945 TIMING: 4217000 CPU: 13643.3, 0.00313251/step Wall: 13643.3, 0.00313251/step, 0.68132 hours remaining, 235.148438 MB of memory in use. ENERGY: 4217000 4000.0348 20592.9047 14475.9373 236.9981 -203385.4024 2639.6571 0.0000 0.0000 52244.3253 -109195.5451 300.2489 -161439.8704 -108825.3159 299.7294 -38.1234 0.3672 762500.8775 -19.3396 -19.4478 PRESSURE: 4217200 135.801 -43.647 108.572 -43.6463 -57.7045 43.3551 108.572 43.3566 421.382 GPRESSURE: 4217200 171.58 61.9315 71.6264 -65.5593 -29.8384 75.4271 60.273 105.654 444.001 PRESSAVG: 4217200 45.0222 -66.653 83.6355 -66.653 -40.0058 3.83757 83.6354 3.83762 -8.18433 GPRESSAVG: 4217200 44.8155 -68.4984 82.3826 -66.7966 -40.2392 3.33835 84.4554 6.29442 -7.71211 TIMING: 4217200 CPU: 13643.9, 0.00312647/step Wall: 13643.9, 0.00312647/step, 0.679832 hours remaining, 235.148438 MB of memory in use. ENERGY: 4217200 4032.4177 20743.4602 14549.6412 235.9891 -203669.4532 2835.5727 0.0000 0.0000 52107.5504 -109164.8219 299.4628 -161272.3723 -108819.5676 299.7165 166.4929 195.2476 762239.1476 -1.0560 -1.0453 PRESSURE: 4217400 323.175 -308.217 186.444 -308.217 -83.5182 -231.747 186.444 -231.747 -250.087 GPRESSURE: 4217400 372.866 -291.898 184.714 -176.002 -101.869 -196.268 221.47 -214.067 -200.513 PRESSAVG: 4217400 92.7614 -89.9171 42.1491 -89.9171 -90.481 2.90377 42.149 2.90372 3.30809 GPRESSAVG: 4217400 93.4267 -87.3686 44.2366 -91.0676 -91.6755 4.23857 44.0018 0.106848 3.53194 TIMING: 4217400 CPU: 13644.5, 0.0031165/step Wall: 13644.5, 0.0031165/step, 0.677492 hours remaining, 235.148438 MB of memory in use. ENERGY: 4217400 3977.7281 20571.8920 14574.2377 240.3847 -203224.4537 2575.7318 0.0000 0.0000 52028.4161 -109256.0633 299.0080 -161284.4794 -108895.3621 299.8314 -3.4768 23.4948 762176.0019 1.8628 1.7611 PRESSURE: 4217600 194.893 -140.039 -143.339 -140.039 -58.2288 125.191 -143.339 125.189 -64.1849 GPRESSURE: 4217600 224.46 -103.86 -171.781 -48.1019 -34.6703 30.3162 -176.976 109.175 -20.5932 PRESSAVG: 4217600 47.3577 -42.8072 13.8104 -42.8072 -29.9074 -21.7741 13.8104 -21.7741 -7.19375 GPRESSAVG: 4217600 47.6184 -44.8095 12.0718 -39.7229 -29.9193 -24.6202 14.1959 -19.8728 -7.40691 TIMING: 4217600 CPU: 13645.2, 0.00312836/step Wall: 13645.2, 0.00312836/step, 0.679897 hours remaining, 235.148438 MB of memory in use. ENERGY: 4217600 3959.8967 20636.2307 14505.6907 261.2892 -203122.2706 2453.8697 0.0000 0.0000 52153.4703 -109151.8233 299.7267 -161305.2936 -108790.5175 300.2070 24.1597 56.3989 759835.8537 3.4188 3.4307 PRESSURE: 4217800 -419.689 -130.438 141.324 -130.438 88.7471 -77.2134 141.324 -77.2135 -24.7907 GPRESSURE: 4217800 -234.118 -88.6108 182.195 -30.0135 45.5382 -127.543 71.699 -159.64 -59.4519 PRESSAVG: 4217800 48.4283 -53.447 30.7291 -53.4471 -23.6993 27.6982 30.7289 27.6981 8.76879 GPRESSAVG: 4217800 48.8989 -53.3365 30.5154 -54.4135 -23.8619 28.8599 29.4257 26.7807 8.4487 TIMING: 4217800 CPU: 13645.8, 0.0031363/step Wall: 13645.8, 0.0031363/step, 0.681449 hours remaining, 235.148438 MB of memory in use. ENERGY: 4217800 3927.4636 20584.9900 14509.8239 233.2254 -202760.1111 2325.0474 0.0000 0.0000 52107.5431 -109072.0176 299.4628 -161179.5607 -108710.7254 300.1385 -118.5777 -82.6772 762039.8755 11.1659 11.1619 PRESSURE: 4218000 263.721 95.9165 -213.711 95.9154 -102.771 -96.448 -213.712 -96.4471 -338.512 GPRESSURE: 4218000 285.503 67.836 -224.83 63.2375 -28.2856 -47.7689 -52.6027 -140.647 -338.101 PRESSAVG: 4218000 39.4245 -16.5222 45.1146 -16.5222 -24.1534 -46.1307 45.1146 -46.1307 8.10609 GPRESSAVG: 4218000 39.1522 -18.1937 45.1157 -16.0114 -23.4948 -45.3303 46.5154 -46.3269 7.75535 TIMING: 4218000 CPU: 13646.4, 0.00314408/step Wall: 13646.4, 0.00314408/step, 0.682964 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 4027.6061 20585.6405 14505.1276 225.4577 -203164.9006 2577.0362 0.0000 0.0000 52217.0122 -109027.0204 300.0919 -161244.0326 -108664.0832 300.3903 -59.1874 -26.9615 761849.8703 7.7924 7.8043 PRESSURE: 4218200 -128.15 -190.658 41.8346 -190.658 -9.76841 35.4124 41.8345 35.4131 -340.289 GPRESSURE: 4218200 -93.276 -77.9565 46.546 -251.461 -20.8338 -9.64357 -32.7252 -20.0921 -261.807 PRESSAVG: 4218200 -17.0258 -68.8326 38.9703 -68.8326 -11.0176 -16.6445 38.9703 -16.6446 -6.11002 GPRESSAVG: 4218200 -16.9212 -65.4403 39.2654 -70.2026 -11.7084 -18.7248 37.9971 -14.9835 -5.89083 TIMING: 4218200 CPU: 13647.1, 0.00314011/step Wall: 13647.1, 0.00314011/step, 0.681927 hours remaining, 235.148438 MB of memory in use. ENERGY: 4218200 3991.5970 20706.7078 14523.5405 237.7587 -202755.3482 2071.4445 0.0000 0.0000 52165.9312 -109058.3685 299.7983 -161224.2998 -108694.6985 300.0013 -159.4026 -125.3057 760804.1472 -11.3845 -11.5068 PRESSURE: 4218400 -276.254 -177.404 112.826 -177.404 88.5643 102.736 112.825 102.735 -562.928 GPRESSURE: 4218400 -193.723 -176.442 95.6467 -133.922 103.233 68.0949 77.8934 253.084 -559.495 PRESSAVG: 4218400 21.8727 -36.4266 1.75717 -36.4266 -33.7824 51.1311 1.75722 51.131 -5.82586 GPRESSAVG: 4218400 21.8082 -38.4571 2.7058 -35.1365 -33.1434 52.1507 2.80484 52.5127 -6.17953 TIMING: 4218400 CPU: 13647.7, 0.00313369/step Wall: 13647.7, 0.00313369/step, 0.68036 hours remaining, 235.148438 MB of memory in use. ENERGY: 4218400 4012.9430 20646.4163 14543.2931 238.2299 -203265.1759 2537.5137 0.0000 0.0000 52018.2159 -109268.5640 298.9494 -161286.7799 -108918.4406 299.8361 -250.2059 -216.6618 762222.6788 -5.9119 -5.8383 PRESSURE: 4218600 31.0566 149.4 123.144 149.401 254.662 -14.4529 123.143 -14.4522 250.535 GPRESSURE: 4218600 106.716 140.542 120.288 93.8541 217.527 -60.7531 44.0736 -19.5783 290.708 PRESSAVG: 4218600 54.3654 -25.644 39.548 -25.644 -5.52391 -4.88293 39.5479 -4.88294 14.2749 GPRESSAVG: 4218600 54.1071 -25.5831 39.3116 -26.0965 -5.63874 -3.92829 37.877 -8.39989 14.7761 TIMING: 4218600 CPU: 13648.3, 0.00314756/step Wall: 13648.3, 0.00314756/step, 0.683196 hours remaining, 235.148438 MB of memory in use. ENERGY: 4218600 4050.1488 20629.2052 14516.2064 258.2645 -203767.7072 2722.4963 0.0000 0.0000 51937.9974 -109653.3886 298.4884 -161591.3860 -109296.5995 299.3273 178.7512 204.9839 761353.8657 21.0388 21.0815 PRESSURE: 4218800 -276.18 -3.86466 -182.081 -3.86469 -213.29 -211.905 -182.081 -211.904 246.449 GPRESSURE: 4218800 -228 -37.7174 -255.75 83.3591 -131.185 -317.665 -204.269 -213.012 189.331 PRESSAVG: 4218800 68.8922 33.152 -5.22754 33.152 -61.4663 -22.0486 -5.22752 -22.0486 -1.08786 GPRESSAVG: 4218800 68.8518 31.4569 -5.03518 31.7777 -60.7653 -22.9375 -3.82667 -20.8496 -1.67552 TIMING: 4218800 CPU: 13648.9, 0.00311278/step Wall: 13648.9, 0.00311278/step, 0.675473 hours remaining, 235.148438 MB of memory in use. ENERGY: 4218800 4056.9290 20663.9669 14455.5363 240.8147 -203465.2601 2495.0035 0.0000 0.0000 51666.4380 -109886.5717 296.9277 -161553.0097 -109531.8574 298.9428 -81.0067 -56.6179 761233.5089 2.1127 2.1370 PRESSURE: 4219000 -93.7546 44.7423 136.296 44.7417 33.9219 -127.476 136.296 -127.476 36.6024 GPRESSURE: 4219000 -89.5866 -16.8743 103.289 -1.85378 76.6631 -81.0922 71.1106 -1.18998 77.7293 PRESSAVG: 4219000 22.8342 -16.2273 32.3863 -16.2273 6.32491 -13.6313 32.3863 -13.6314 -20.1464 GPRESSAVG: 4219000 23.9828 -17.2297 31.396 -15.8422 5.62933 -13.3213 32.1829 -13.5397 -21.0923 TIMING: 4219000 CPU: 13649.6, 0.00313241/step Wall: 13649.6, 0.00313241/step, 0.679559 hours remaining, 235.148438 MB of memory in use. ENERGY: 4219000 4013.4859 20598.9324 14528.9029 224.4089 -203504.1206 2504.0457 0.0000 0.0000 51696.6924 -109937.6525 297.1016 -161634.3449 -109575.8157 298.4540 -7.7435 21.6019 761207.3012 3.0042 2.8399 PRESSURE: 4219200 -126.572 140.957 -128.238 140.957 -249.476 -136.829 -128.238 -136.828 191.235 GPRESSURE: 4219200 -5.98856 256.311 -38.2918 60.3395 -235.203 -141.946 -138.326 -111.308 135.112 PRESSAVG: 4219200 15.0169 -27.8633 57.3575 -27.8633 7.37046 27.7784 57.3575 27.7784 14.1674 GPRESSAVG: 4219200 13.4774 -25.4175 58.458 -27.612 8.35183 28.2543 56.6694 27.6882 14.9141 TIMING: 4219200 CPU: 13650.2, 0.00311864/step Wall: 13650.2, 0.00311864/step, 0.676399 hours remaining, 235.148438 MB of memory in use. ENERGY: 4219200 3967.5453 20532.2107 14489.0312 252.6457 -203260.7612 2231.2550 0.0000 0.0000 51817.3944 -109970.6790 297.7953 -161788.0734 -109607.1783 298.1262 -61.6045 -35.3598 758833.3820 12.1849 12.2478 PRESSURE: 4219400 -1.05572 -133.055 -16.8929 -133.054 281.186 36.6039 -16.8928 36.6048 192.363 GPRESSURE: 4219400 59.3671 -87.6822 -6.63437 -111.746 293.932 -140.43 -139.822 107.812 220.252 PRESSAVG: 4219400 -6.32844 -19.386 -22.6609 -19.3859 9.51382 -6.62582 -22.6608 -6.62588 2.79793 GPRESSAVG: 4219400 -6.24515 -18.4867 -22.4021 -19.3888 9.98884 -7.12302 -23.2239 -8.88155 2.2959 TIMING: 4219400 CPU: 13650.8, 0.00312564/step Wall: 13650.8, 0.00312564/step, 0.677743 hours remaining, 235.148438 MB of memory in use. ENERGY: 4219400 3995.0103 20354.2451 14564.3215 243.2363 -203600.8471 2594.9349 0.0000 0.0000 51901.1897 -109947.9093 298.2769 -161849.0990 -109573.1280 298.1226 157.4976 191.1837 758986.3654 1.9944 2.0132 PRESSURE: 4219600 84.545 191.076 -32.7638 191.076 46.3948 -103.631 -32.7642 -103.632 328.652 GPRESSURE: 4219600 165.484 29.3435 3.88277 218.115 77.6123 -272.841 -44.1223 -22.5829 321.197 PRESSAVG: 4219600 18.0445 -31.4024 -7.58495 -31.4023 41.2953 23.2602 -7.58492 23.2602 11.1201 GPRESSAVG: 4219600 18.2019 -32.4031 -8.13675 -31.0592 40.8211 22.306 -6.73464 25.293 11.049 TIMING: 4219600 CPU: 13651.4, 0.00312559/step Wall: 13651.4, 0.00312559/step, 0.677559 hours remaining, 235.148438 MB of memory in use. ENERGY: 4219600 3969.1224 20486.8728 14488.4163 250.8141 -203875.6965 2729.3207 0.0000 0.0000 51826.4113 -110124.7390 297.8471 -161951.1503 -109755.7332 298.3064 153.1973 188.0978 759287.3580 23.4866 23.3573 PRESSURE: 4219800 -139.071 1.78093 64.7654 1.77962 -14.2483 99.2727 64.7659 99.2719 204.162 GPRESSURE: 4219800 -113.129 52.238 48.7307 -43.6488 90.1168 143.111 111.6 187.721 166.543 PRESSAVG: 4219800 35.1675 -29.5331 44.1014 -29.5331 -45.3971 36.2945 44.1013 36.2945 -2.73041 GPRESSAVG: 4219800 33.5663 -28.9091 45.6457 -26.985 -44.5748 35.8587 43.2483 37.3016 -2.15778 TIMING: 4219800 CPU: 13652.1, 0.00312734/step Wall: 13652.1, 0.00312734/step, 0.677765 hours remaining, 235.148438 MB of memory in use. ENERGY: 4219800 3996.5976 20509.9704 14512.1826 250.6183 -203681.5934 2454.8249 0.0000 0.0000 51851.5703 -110105.8293 297.9917 -161957.3996 -109747.5838 297.9852 16.9474 47.8435 761022.1445 -4.3200 -4.3887 PRESSURE: 4220000 -91.549 226.681 -34.248 226.681 -5.00281 -33.0227 -34.248 -33.0235 -99.5112 GPRESSURE: 4220000 -35.4986 198.853 64.8087 149.843 4.3324 -112.618 17.9733 -120.374 -57.6057 PRESSAVG: 4220000 49.3743 -49.2941 25.7157 -49.2941 -72.3505 -75.8316 25.7157 -75.8317 -3.3465 GPRESSAVG: 4220000 49.6206 -50.1064 24.0091 -51.8226 -72.7327 -76.5004 26.2115 -77.8154 -3.01904 TIMING: 4220000 CPU: 13652.7, 0.00311802/step Wall: 13652.7, 0.00311802/step, 0.675571 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 3960.9315 20311.9585 14488.9115 238.5766 -203881.6822 2528.8912 0.0000 0.0000 52033.6710 -110318.7420 299.0382 -162352.4129 -109941.8571 298.0491 -65.3543 -29.5906 758303.3868 -8.7742 -8.7104 PRESSURE: 4220200 22.1363 97.9683 58.9787 97.968 -373.69 36.0269 58.9781 36.0275 -268.85 GPRESSURE: 4220200 69.0128 25.6593 14.9726 10.332 -400.139 20.6473 89.2742 73.5772 -198.021 PRESSAVG: 4220200 72.6268 -48.6441 36.663 -48.644 -46.2392 -18.2329 36.663 -18.2329 2.09933 GPRESSAVG: 4220200 73.6161 -49.2598 36.0821 -47.1991 -46.9001 -16.3799 37.3525 -18.0721 2.06895 TIMING: 4220200 CPU: 13653.3, 0.00311392/step Wall: 13653.3, 0.00311392/step, 0.674509 hours remaining, 235.148438 MB of memory in use. ENERGY: 4220200 4039.9985 20385.5648 14551.6121 255.9801 -203939.5698 2581.1146 0.0000 0.0000 51828.0195 -110297.2802 297.8563 -162125.2997 -109937.1371 297.8342 -206.8012 -176.3825 758425.1906 9.4956 9.5950 LDB: ============= START OF LOAD BALANCING ============== 13665.7 LDB: ============== END OF LOAD BALANCING =============== 13665.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13665.7 LDB: ============= START OF LOAD BALANCING ============== 13666 LDB: Largest compute 7058 load 0.032110 is 16.4% of average load 0.195562 LDB: Average compute 0.004387 is 2.2% of average load 0.195562 LDB: TIME 13666 LOAD: AVG 0.195562 MAX 0.214934 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.105 MB LDB: TIME 13666 LOAD: AVG 0.195562 MAX 0.214934 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: TIME 13666 LOAD: AVG 0.195562 MAX 0.214934 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: ============== END OF LOAD BALANCING =============== 13666 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13666.1 PRESSURE: 4220400 178.255 17.199 298.457 17.1985 17.8807 -110.633 298.457 -110.634 -97.0798 GPRESSURE: 4220400 219.612 134.524 293.169 -67.3877 59.0874 -156.042 116.635 -158.176 -83.7029 PRESSAVG: 4220400 56.0488 -22.6904 -12.4937 -22.6905 -36.7009 17.9962 -12.4938 17.9961 3.11331 GPRESSAVG: 4220400 57.0086 -20.2711 -12.2444 -23.7783 -37.2818 18.517 -10.9963 16.9698 3.23496 TIMING: 4220400 CPU: 13653.9, 0.00318781/step Wall: 13653.9, 0.00318781/step, 0.690337 hours remaining, 235.394531 MB of memory in use. ENERGY: 4220400 3964.3925 20607.3036 14576.8106 245.7798 -203684.5658 2553.9952 0.0000 0.0000 51709.4461 -110026.8381 297.1749 -161736.2842 -109673.8727 298.0164 33.0187 64.9987 759236.4618 7.4871 7.6539 PRESSURE: 4220600 90.2634 263.701 -6.1283 263.7 96.5662 -0.260026 -6.12826 -0.261213 115.065 GPRESSURE: 4220600 97.7458 227.85 -66.1535 204.192 113.688 4.84362 -14.5906 54.3531 178.695 PRESSAVG: 4220600 76.5143 -47.2746 74.4618 -47.2746 -80.1521 20.8999 74.4618 20.8999 -4.89882 GPRESSAVG: 4220600 75.7131 -46.9345 75.015 -49.8319 -79.4848 20.0953 75.06 20.1149 -5.02942 TIMING: 4220600 CPU: 13654.6, 0.00312274/step Wall: 13654.6, 0.00312274/step, 0.676074 hours remaining, 235.792969 MB of memory in use. ENERGY: 4220600 3990.5867 20411.2967 14409.3606 247.9281 -203925.4907 2803.5762 0.0000 0.0000 51999.4423 -110063.3002 298.8415 -162062.7424 -109704.7219 298.5035 100.6314 130.0432 758606.3127 -2.8455 -2.9337 PRESSURE: 4220800 255.661 -24.649 37.5463 -24.6488 7.78821 -193.863 37.5459 -193.864 -69.6708 GPRESSURE: 4220800 211.725 -12.428 -20.9544 -27.6988 99.2935 -225.86 -82.3079 -5.62768 -22.1915 PRESSAVG: 4220800 0.462266 19.7449 12.2966 19.7449 -76.9809 21.8775 12.2967 21.8775 -15.1406 GPRESSAVG: 4220800 0.553581 19.2982 10.3707 20.4349 -76.6368 22.0489 11.205 23.4199 -15.1212 TIMING: 4220800 CPU: 13655.2, 0.00311213/step Wall: 13655.2, 0.00311213/step, 0.673604 hours remaining, 236.046875 MB of memory in use. ENERGY: 4220800 4044.7891 20556.9439 14462.9275 244.8389 -203808.9431 2881.5193 0.0000 0.0000 51803.8118 -109814.1125 297.7172 -161617.9243 -109460.8801 297.8859 64.5928 96.2758 759709.4419 -30.5531 -30.4015 PRESSURE: 4221000 -224.442 -60.2623 13.564 -60.2621 -154.527 -67.941 13.5642 -67.9406 -106.19 GPRESSURE: 4221000 -287.879 1.19233 -47.5852 -45.5238 -75.7389 -72.1688 6.67929 -128.103 -41.4892 PRESSAVG: 4221000 59.8067 -40.8013 22.3082 -40.8013 -33.6516 -9.20777 22.3082 -9.20773 26.8396 GPRESSAVG: 4221000 59.797 -41.0379 24.2336 -39.7988 -32.9261 -8.33242 21.4928 -9.12193 26.3386 TIMING: 4221000 CPU: 13655.8, 0.00310515/step Wall: 13655.8, 0.00310515/step, 0.671921 hours remaining, 236.046875 MB of memory in use. ENERGY: 4221000 4015.1010 20594.5494 14405.6542 247.0480 -203706.3420 2762.8556 0.0000 0.0000 51821.3056 -109859.8283 297.8178 -161681.1339 -109503.9057 298.3673 -161.7199 -135.0358 758769.7812 17.6649 17.7365 PRESSURE: 4221200 281.12 -104.197 242.355 -104.197 225.05 123.921 242.355 123.921 269.334 GPRESSURE: 4221200 237.832 -234.911 296.828 -46.6868 290.15 191.94 329.35 151.194 325.088 PRESSAVG: 4221200 33.1736 -31.6747 9.47756 -31.6747 -33.484 0.770688 9.4776 0.770767 -6.60669 GPRESSAVG: 4221200 32.0901 -31.8295 10.0198 -32.3112 -34.3364 0.511431 10.2236 0.862079 -4.89699 TIMING: 4221200 CPU: 13656.4, 0.00312205/step Wall: 13656.4, 0.00312205/step, 0.675403 hours remaining, 236.246094 MB of memory in use. ENERGY: 4221200 3936.6013 20495.0420 14484.4576 243.8835 -203845.4283 2796.5353 0.0000 0.0000 52024.1646 -109864.7440 298.9836 -161888.9086 -109486.9870 298.9176 258.5010 284.3565 759856.3631 -2.3057 -2.3811 PRESSURE: 4221400 24.123 176.068 -195.349 176.068 92.0552 -172.001 -195.349 -172.002 163.932 GPRESSURE: 4221400 110.117 127.752 -197.466 238.653 76.2325 -126.886 -38.3807 -239.348 178.51 PRESSAVG: 4221400 41.0592 -25.5286 54.3461 -25.5286 -76.4866 6.96622 54.3461 6.96612 0.521496 GPRESSAVG: 4221400 40.845 -24.3849 52.8515 -24.9212 -76.3081 7.19808 55.659 6.1684 0.53384 TIMING: 4221400 CPU: 13657.1, 0.00312522/step Wall: 13657.1, 0.00312522/step, 0.675915 hours remaining, 236.246094 MB of memory in use. ENERGY: 4221400 4034.4588 20312.6399 14586.5586 247.4581 -203804.8728 2837.5899 0.0000 0.0000 52081.3029 -109704.8644 299.3120 -161786.1674 -109350.4432 298.9818 93.3701 121.6197 760106.4583 -11.6353 -11.6431 PRESSURE: 4221600 -95.7911 -198.569 59.6173 -198.569 -110.645 -303.378 59.6167 -303.379 -430.661 GPRESSURE: 4221600 -73.7964 -161.704 94.5349 -137.136 -163.906 -270.519 58.1784 -222.342 -335.301 PRESSAVG: 4221600 19.8556 -18.7103 -26.6887 -18.7102 -13.6502 2.75775 -26.6887 2.75775 34.1254 GPRESSAVG: 4221600 20.832 -21.0877 -26.6917 -17.8007 -13.797 3.46648 -29.6239 2.15099 32.664 TIMING: 4221600 CPU: 13657.7, 0.00312562/step Wall: 13657.7, 0.00312562/step, 0.675828 hours remaining, 236.246094 MB of memory in use. ENERGY: 4221600 3978.9063 20505.5314 14550.2504 225.1495 -203225.8651 2435.8266 0.0000 0.0000 51742.7185 -109787.4825 297.3661 -161530.2010 -109425.9185 298.9261 -212.3658 -191.0010 761823.3196 13.4436 13.2330 PRESSURE: 4221800 -57.3417 71.5029 -69.6052 71.5027 234.325 -181.052 -69.6053 -181.052 -158.627 GPRESSURE: 4221800 78.4275 167.727 -166.734 23.1629 155.474 -267.921 77.4823 -169.815 -130.462 PRESSAVG: 4221800 35.0349 69.4956 -41.9015 69.4956 16.8224 -44.3725 -41.9014 -44.3725 8.04604 GPRESSAVG: 4221800 35.1119 70.3198 -41.5476 70.0967 16.328 -46.7501 -41.56 -43.0798 8.1769 TIMING: 4221800 CPU: 13658.3, 0.00312657/step Wall: 13658.3, 0.00312657/step, 0.675861 hours remaining, 236.246094 MB of memory in use. ENERGY: 4221800 4003.9780 20495.4318 14478.3768 255.5065 -203952.4161 2918.6806 0.0000 0.0000 52083.7169 -109716.7255 299.3258 -161800.4424 -109351.1354 299.2307 6.1187 34.4797 760656.4271 19.9678 19.8723 PRESSURE: 4222000 -95.2153 146.128 12.0827 146.128 -88.3507 315.074 12.0824 315.074 109.601 GPRESSURE: 4222000 -112.501 53.9338 -5.13431 -34.57 -16.7428 262.004 32.661 269.998 120.298 PRESSAVG: 4222000 2.25506 72.9723 10.3175 72.9723 -14.0045 -61.978 10.3175 -61.978 -19.6492 GPRESSAVG: 4222000 1.07771 71.4224 10.1232 71.3059 -13.6475 -61.2141 11.3233 -63.6294 -19.2516 TIMING: 4222000 CPU: 13658.9, 0.00312412/step Wall: 13658.9, 0.00312412/step, 0.675157 hours remaining, 236.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4222000 3984.8567 20627.1464 14495.0468 235.6464 -203561.2437 2720.0374 0.0000 0.0000 52135.3260 -109363.1840 299.6224 -161498.5099 -109006.3740 299.3143 -24.6549 -2.9818 761911.5462 -10.4662 -10.6071 PRESSURE: 4222200 153.162 -3.74458 -50.9204 -3.74486 388.558 -106.063 -50.9199 -106.061 -354.881 GPRESSURE: 4222200 202.584 -26.5405 -41.0403 -25.1588 402.577 -130.345 41.1375 -199.154 -334.807 PRESSAVG: 4222200 40.536 -76.4483 -18.0366 -76.4482 -53.0112 -32.4303 -18.0367 -32.4303 6.04902 GPRESSAVG: 4222200 41.2903 -74.7842 -17.2181 -76.8319 -54.3207 -32.0324 -18.9694 -32.4736 6.56384 TIMING: 4222200 CPU: 13659.6, 0.00312226/step Wall: 13659.6, 0.00312226/step, 0.674582 hours remaining, 236.246094 MB of memory in use. ENERGY: 4222200 4009.6463 20528.0233 14511.6369 242.7603 -203317.3469 2646.2127 0.0000 0.0000 51848.1231 -109530.9443 297.9719 -161379.0674 -109167.5251 299.8349 62.2796 90.1178 759301.8880 -2.1421 -2.1555 PRESSURE: 4222400 122.93 -7.19481 -51.9893 -7.19469 259.554 -8.54465 -51.9897 -8.54478 42.6842 GPRESSURE: 4222400 143.962 83.932 -56.3266 -62.3062 309.997 16.8318 -56.4792 39.3152 62.5683 PRESSAVG: 4222400 -29.8115 -63.6405 72.3269 -63.6406 3.77488 -50.401 72.3269 -50.401 12.9941 GPRESSAVG: 4222400 -30.3735 -64.6264 71.8022 -62.2665 5.12132 -51.0532 71.54 -50.2763 12.907 TIMING: 4222400 CPU: 13660.2, 0.00313911/step Wall: 13660.2, 0.00313911/step, 0.678048 hours remaining, 236.246094 MB of memory in use. ENERGY: 4222400 3931.5458 20525.6906 14464.3203 232.4710 -203279.4122 2581.5439 0.0000 0.0000 52167.1414 -109376.6991 299.8053 -161543.8405 -109014.1726 299.1607 141.7227 172.1757 763007.2481 -4.3475 -4.1151 PRESSURE: 4222600 -338.149 -89.6069 62.3787 -89.6064 -248.388 61.0519 62.3787 61.0524 -80.6723 GPRESSURE: 4222600 -348.251 -120.277 75.7523 -73.1945 -167.917 66.9134 54.3811 119.104 -60.3781 PRESSAVG: 4222600 -42.5747 -53.8905 58.6171 -53.8906 -7.43841 15.0464 58.6171 15.0463 -16.2839 GPRESSAVG: 4222600 -41.9614 -55.6491 58.3643 -53.4797 -6.79444 15.8468 59.5428 14.7488 -17.2365 TIMING: 4222600 CPU: 13660.8, 0.003136/step Wall: 13660.8, 0.003136/step, 0.677201 hours remaining, 236.246094 MB of memory in use. ENERGY: 4222600 4075.1163 20565.1694 14418.1948 275.5569 -203039.6224 2366.0068 0.0000 0.0000 52069.6804 -109269.8978 299.2452 -161339.5782 -108906.9226 299.9087 -222.4031 -192.1820 761680.0202 -22.0990 -21.9974 PRESSURE: 4222800 142.686 138.657 -103.909 138.658 -115.052 70.8493 -103.911 70.8502 121.017 GPRESSURE: 4222800 134.914 77.6724 -91.1421 129.581 -23.233 1.07452 -4.50057 76.3322 118.791 PRESSAVG: 4222800 1.86798 10.514 22.4569 10.514 -2.60165 24.2391 22.4569 24.2391 -15.0772 GPRESSAVG: 4222800 1.41058 13.0115 21.4133 9.96508 -3.44835 24.9346 23.7796 24.6495 -14.247 TIMING: 4222800 CPU: 13661.4, 0.00311533/step Wall: 13661.4, 0.00311533/step, 0.672566 hours remaining, 236.246094 MB of memory in use. ENERGY: 4222800 4001.1676 20507.3119 14534.8569 257.7049 -203579.8980 2970.7138 0.0000 0.0000 52216.4676 -109091.6753 300.0888 -161308.1429 -108725.8557 300.1435 49.5506 76.8240 761467.0971 -5.2703 -5.4283 PRESSURE: 4223000 -34.244 -59.0428 -64.7021 -59.0429 -94.07 -44.0527 -64.7021 -44.0531 -199.908 GPRESSURE: 4223000 5.63915 -5.3292 -72.9486 63.8689 -47.1371 -13.1529 -43.3574 -85.8709 -169.935 PRESSAVG: 4223000 75.9105 1.36072 -22.9702 1.36068 -38.0589 -21.0161 -22.9702 -21.0161 10.0985 GPRESSAVG: 4223000 76.3195 -0.438115 -20.8407 2.02084 -37.788 -21.6526 -24.3523 -21.5217 9.71238 TIMING: 4223000 CPU: 13662.1, 0.00310627/step Wall: 13662.1, 0.00310627/step, 0.670436 hours remaining, 236.246094 MB of memory in use. ENERGY: 4223000 4053.2834 20331.0794 14496.4284 219.8993 -203206.7549 2609.4308 0.0000 0.0000 52326.7149 -109169.9187 300.7223 -161496.6337 -108799.8862 300.4325 -109.4074 -70.4777 762830.3031 15.9834 16.0813 PRESSURE: 4223200 -180.923 13.1358 -285.362 13.1367 -299.39 163.153 -285.362 163.154 -493.95 GPRESSURE: 4223200 -144.55 -14.1091 -193.263 -16.6693 -295.548 141.432 -239.857 184.07 -451.55 PRESSAVG: 4223200 51.4746 -9.05698 -22.5729 -9.05693 -19.1034 -7.44623 -22.5728 -7.44624 -6.89798 GPRESSAVG: 4223200 50.9748 -6.02671 -24.595 -11.5552 -19.2722 -8.09719 -23.0315 -5.17094 -5.94139 TIMING: 4223200 CPU: 13662.7, 0.00312869/step Wall: 13662.7, 0.00312869/step, 0.675101 hours remaining, 236.246094 MB of memory in use. ENERGY: 4223200 3939.5128 20515.7656 14475.4819 235.1133 -203334.0142 2436.0587 0.0000 0.0000 52537.0222 -109195.0598 301.9310 -161732.0819 -108830.7062 300.0109 -324.7543 -297.2158 762363.8800 8.4911 8.5871 PRESSURE: 4223400 -336.394 -24.5053 -17.5778 -24.5052 -50.5267 -68.26 -17.5774 -68.2594 -134.758 GPRESSURE: 4223400 -370.786 -63.0152 -25.9839 71.464 68.4855 -2.93742 86.1936 -19.4523 -136.018 PRESSAVG: 4223400 18.7381 -52.6042 -25.4715 -52.6042 -30.9071 1.54213 -25.4715 1.54212 -21.8815 GPRESSAVG: 4223400 18.677 -55.1132 -22.9932 -50.8117 -31.3932 1.99968 -23.806 -1.19181 -21.2903 TIMING: 4223400 CPU: 13663.3, 0.00312137/step Wall: 13663.3, 0.00312137/step, 0.67335 hours remaining, 236.246094 MB of memory in use. ENERGY: 4223400 4035.8453 20437.4868 14542.7345 240.3588 -203017.8393 2381.9135 0.0000 0.0000 52190.8460 -109188.6544 299.9415 -161379.5004 -108823.4340 299.9800 -173.8927 -146.1062 762089.9093 -11.3501 -11.3355 PRESSURE: 4223600 -279.266 189.724 133.46 189.725 -10.9038 10.5198 133.46 10.5201 -708.225 GPRESSURE: 4223600 -240.585 232.124 194.661 175.113 -32.5469 -7.29471 7.01417 -92.8678 -646.938 PRESSAVG: 4223600 51.4223 -16.5294 1.0874 -16.5294 -49.3018 -33.1404 1.08742 -33.1404 8.43785 GPRESSAVG: 4223600 51.1737 -14.7268 -0.198284 -18.374 -47.393 -34.0114 1.86851 -32.1426 6.60663 TIMING: 4223600 CPU: 13663.9, 0.00311193/step Wall: 13663.9, 0.00311193/step, 0.671139 hours remaining, 236.246094 MB of memory in use. ENERGY: 4223600 4050.3558 20523.5474 14492.1710 257.7831 -202801.0048 2327.4832 0.0000 0.0000 52114.5754 -109035.0890 299.5032 -161149.6644 -108668.6863 300.5022 -332.7985 -306.6899 762328.5692 3.5195 3.4624 PRESSURE: 4223800 91.9921 -84.5566 191.682 -84.5573 187.793 191.097 191.681 191.097 -58.4989 GPRESSURE: 4223800 101.916 -37.988 163.806 -12.0685 177.228 203.447 235.166 39.0099 22.2761 PRESSAVG: 4223800 50.3147 -20.8451 51.8415 -20.8451 -4.11972 -0.248009 51.8416 -0.247997 2.10792 GPRESSAVG: 4223800 51.3698 -22.6697 51.8871 -18.9483 -5.55831 -0.620567 49.8733 -0.85406 2.63837 TIMING: 4223800 CPU: 13664.6, 0.00311379/step Wall: 13664.6, 0.00311379/step, 0.671368 hours remaining, 236.246094 MB of memory in use. ENERGY: 4223800 3929.9639 20399.3787 14455.6109 245.3129 -203497.4366 2759.3714 0.0000 0.0000 52266.1547 -109441.6441 300.3743 -161707.7987 -109069.6382 299.9506 73.7620 100.4734 760295.8231 16.1009 16.1499 PRESSURE: 4224000 108.738 -226.378 2.98929 -226.378 209.006 -125.781 2.98883 -125.781 169.052 GPRESSURE: 4224000 212.871 -266.496 50.525 -130.327 277.9 -100.499 47.8679 -155.812 89.3683 PRESSAVG: 4224000 25.7058 -77.7539 -7.03876 -77.7539 -37.9413 -58.8517 -7.03881 -58.8517 -0.0869143 GPRESSAVG: 4224000 24.8166 -78.0858 -7.1028 -74.8589 -37.6162 -58.1059 -6.10664 -58.6615 0.294144 TIMING: 4224000 CPU: 13665.2, 0.00310743/step Wall: 13665.2, 0.00310743/step, 0.669823 hours remaining, 236.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4224000 4020.1092 20492.0845 14499.6288 251.7940 -203535.8764 2665.7822 0.0000 0.0000 52086.6326 -109519.8452 299.3426 -161606.4778 -109165.7496 299.0444 162.2656 193.3799 758967.8913 -4.1075 -4.1685 PRESSURE: 4224200 -90.4579 -19.2019 298.707 -19.2016 103.725 -34.6035 298.708 -34.6041 140.222 GPRESSURE: 4224200 -19.2315 98.1536 307.557 -159.123 99.7739 -103.01 232.803 56.4376 165.019 PRESSAVG: 4224200 31.1371 -76.9442 28.5444 -76.9442 -17.6787 4.43861 28.5444 4.43865 -13.7008 GPRESSAVG: 4224200 31.9461 -74.3775 26.859 -81.2542 -18.2765 3.57362 27.2799 3.81665 -13.7142 TIMING: 4224200 CPU: 13665.8, 0.0031168/step Wall: 13665.8, 0.0031168/step, 0.67167 hours remaining, 236.246094 MB of memory in use. ENERGY: 4224200 3965.0643 20389.9974 14481.7778 253.1119 -203058.5610 2404.2389 0.0000 0.0000 51964.7272 -109599.6435 298.6420 -161564.3707 -109239.8339 298.9994 51.1629 81.8540 761461.3656 -0.0808 -0.0149 LDB: ============= START OF LOAD BALANCING ============== 13678.2 LDB: ============== END OF LOAD BALANCING =============== 13678.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13678.2 LDB: ============= START OF LOAD BALANCING ============== 13678.5 LDB: Largest compute 7058 load 0.031777 is 16.3% of average load 0.195500 LDB: Average compute 0.004408 is 2.3% of average load 0.195500 LDB: TIME 13678.5 LOAD: AVG 0.1955 MAX 0.214964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 13678.5 LOAD: AVG 0.1955 MAX 0.214964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 13678.5 LOAD: AVG 0.1955 MAX 0.214964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 13678.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13678.5 PRESSURE: 4224400 -228.6 51.2299 66.616 51.2303 -225.595 251.384 66.6164 251.383 -70.9171 GPRESSURE: 4224400 -193.348 52.2912 8.50146 7.41124 -151.913 253.723 41.3257 224.401 -97.2803 PRESSAVG: 4224400 -10.1694 -63.3193 18.5705 -63.3194 15.2359 79.5331 18.5704 79.5331 11.2374 GPRESSAVG: 4224400 -9.92642 -64.8325 20.161 -62.8351 15.4851 80.2395 18.5667 81.9166 11.3344 TIMING: 4224400 CPU: 13666.4, 0.00318478/step Wall: 13666.4, 0.00318478/step, 0.686143 hours remaining, 234.113281 MB of memory in use. ENERGY: 4224400 4034.9343 20525.8807 14555.3954 281.3364 -203355.8056 2602.5572 0.0000 0.0000 51780.6850 -109575.0166 297.5843 -161355.7016 -109236.7671 299.0054 -175.0372 -147.5137 761661.7279 5.4346 5.6310 PRESSURE: 4224600 59.0996 -88.1235 248.853 -88.1245 -142.723 -194.592 248.854 -194.592 -26.5064 GPRESSURE: 4224600 132.76 -199.478 285.217 5.07576 -166.56 -238.657 30.1985 -77.3133 -19.7558 PRESSAVG: 4224600 -51.4296 -75.2158 42.2386 -75.2158 1.56136 -25.2814 42.2386 -25.2814 32.0178 GPRESSAVG: 4224600 -52.5382 -75.6554 42.3314 -73.1827 1.86967 -25.7403 43.3467 -26.5984 31.8965 TIMING: 4224600 CPU: 13667.1, 0.00312618/step Wall: 13667.1, 0.00312618/step, 0.673344 hours remaining, 234.113281 MB of memory in use. ENERGY: 4224600 3977.1733 20514.6446 14514.1315 231.0902 -203316.3336 2472.2010 0.0000 0.0000 52027.1966 -109579.8964 299.0010 -161607.0930 -109230.4285 299.0605 -36.7099 -17.8518 760316.8496 -5.9502 -6.2574 PRESSURE: 4224800 88.302 85.6854 -155.911 85.6846 294.364 -164.22 -155.912 -164.219 452.254 GPRESSURE: 4224800 139.325 78.5642 -244.214 92.854 333.755 -200.62 -186.304 -72.4283 428.461 PRESSAVG: 4224800 -34.8935 -59.039 10.08 -59.0391 -15.4393 4.6157 10.08 4.61589 5.39553 GPRESSAVG: 4224800 -34.4456 -58.3183 8.96177 -60.4607 -15.5853 4.72627 9.17614 4.80113 5.37293 TIMING: 4224800 CPU: 13667.7, 0.00311905/step Wall: 13667.7, 0.00311905/step, 0.671635 hours remaining, 234.113281 MB of memory in use. ENERGY: 4224800 3975.6912 20302.2296 14572.8800 244.8408 -203682.1746 2890.4618 0.0000 0.0000 52069.0569 -109627.0143 299.2416 -161696.0712 -109270.8809 299.2351 278.3066 300.5137 759702.5704 -14.9791 -14.8860 PRESSURE: 4225000 179.786 95.2248 -197.211 95.2257 277.991 24.1509 -197.21 24.1509 328.953 GPRESSURE: 4225000 186.185 32.787 -132.987 99.743 368.477 -39.6136 -26.7986 42.1129 330.731 PRESSAVG: 4225000 -22.8176 44.0851 -20.9398 44.0851 31.6198 -6.98684 -20.9397 -6.98681 13.7623 GPRESSAVG: 4225000 -23.0665 43.5268 -20.1004 44.9766 32.0605 -7.21718 -19.0415 -6.98772 14.1783 TIMING: 4225000 CPU: 13668.3, 0.00311373/step Wall: 13668.3, 0.00311373/step, 0.670317 hours remaining, 234.113281 MB of memory in use. ENERGY: 4225000 3921.8523 20497.1881 14482.4572 251.8978 -203573.9699 2737.8699 0.0000 0.0000 52066.9316 -109615.7729 299.2294 -161682.7045 -109247.9738 299.2138 262.2433 295.1307 761682.5415 7.5215 7.7241 PRESSURE: 4225200 69.1769 92.3658 -110.003 92.3648 -319.608 -169.597 -110.003 -169.596 -127.898 GPRESSURE: 4225200 55.7242 157.005 -140.948 54.5048 -182.893 -258.787 -142.208 -113.993 -176.992 PRESSAVG: 4225200 14.6801 28.5625 -28.2293 28.5625 -23.9888 -25.6732 -28.2294 -25.6732 7.59291 GPRESSAVG: 4225200 15.8175 29.6092 -28.3017 25.8754 -24.6669 -25.3835 -28.8219 -26.5481 7.1197 TIMING: 4225200 CPU: 13668.9, 0.00311272/step Wall: 13668.9, 0.00311272/step, 0.669927 hours remaining, 234.113281 MB of memory in use. ENERGY: 4225200 3968.1281 20447.4850 14498.2047 249.5328 -202909.0324 2332.8522 0.0000 0.0000 51859.4252 -109553.4045 298.0368 -161412.8297 -109181.1984 299.2065 -126.1096 -101.3868 763080.2075 -0.5719 -0.5766 PRESSURE: 4225400 -343.096 -39.6408 -169.089 -39.6403 -507.02 114.039 -169.089 114.04 -497.999 GPRESSURE: 4225400 -249.165 12.6696 -52.0769 -173.028 -399.003 81.2194 -193.957 -16.9598 -616.884 PRESSAVG: 4225400 -4.97097 -3.54872 -34.5063 -3.54868 0.103541 -65.869 -34.5064 -65.869 3.92235 GPRESSAVG: 4225400 -5.59139 -3.38997 -33.3322 -2.12429 1.08541 -64.1915 -35.5323 -66.2286 3.45641 TIMING: 4225400 CPU: 13669.6, 0.00313295/step Wall: 13669.6, 0.00313296/step, 0.674108 hours remaining, 234.113281 MB of memory in use. ENERGY: 4225400 3983.9567 20491.9708 14554.5205 251.8568 -202822.9662 2389.1078 0.0000 0.0000 51911.9194 -109239.6342 298.3385 -161151.5536 -108874.8828 299.4672 -449.3714 -421.6839 763039.1169 -0.3150 -0.3499 PRESSURE: 4225600 75.3568 62.0497 -46.2196 62.0496 -212.864 26.6824 -46.2197 26.6819 109.394 GPRESSURE: 4225600 75.8498 64.2076 -1.96675 9.3998 -175.02 58.7336 91.3161 -62.1819 137.789 PRESSAVG: 4225600 -15.1834 -29.115 3.37524 -29.1151 -5.2595 -15.1367 3.37523 -15.1367 9.88278 GPRESSAVG: 4225600 -15.9021 -31.4446 3.18499 -27.7971 -5.68034 -16.2955 3.90071 -15.1762 11.0767 TIMING: 4225600 CPU: 13670.2, 0.00312137/step Wall: 13670.2, 0.00312137/step, 0.671441 hours remaining, 234.113281 MB of memory in use. ENERGY: 4225600 4035.5874 20397.8180 14518.2433 231.0010 -203382.9973 2823.9391 0.0000 0.0000 52153.9031 -109222.5054 299.7292 -161376.4085 -108846.7502 299.7008 -9.3710 12.8729 761421.5555 -3.5200 -3.5019 PRESSURE: 4225800 81.2502 -108.543 -40.3968 -108.543 -106.984 -215.138 -40.3972 -215.139 110.818 GPRESSURE: 4225800 127.874 -156.664 -50.8845 -107.729 -69.5627 -232.368 -36.4668 -304.197 113.495 PRESSAVG: 4225800 47.2233 -49.7603 50.2859 -49.7603 39.6252 -18.9244 50.2858 -18.9245 3.5834 GPRESSAVG: 4225800 46.4651 -47.7465 49.9338 -52.9446 40.9361 -20.353 51.7789 -18.2814 3.1374 TIMING: 4225800 CPU: 13670.8, 0.00312278/step Wall: 13670.8, 0.00312278/step, 0.67157 hours remaining, 234.113281 MB of memory in use. ENERGY: 4225800 4018.5788 20558.5819 14483.7884 249.0436 -203330.0660 2698.1056 0.0000 0.0000 52080.9474 -109241.0203 299.3099 -161321.9677 -108875.2877 299.3359 28.3613 57.2687 763119.6742 30.1440 30.1795 PRESSURE: 4226000 140.518 -13.2274 301.075 -13.2273 -170.595 -24.9265 301.075 -24.927 -174.809 GPRESSURE: 4226000 198.381 23.155 284.583 -74.6392 -210.631 4.09127 373.001 60.9711 -113.746 PRESSAVG: 4226000 -4.04508 -39.3062 -12.3919 -39.3063 17.1612 -1.16621 -12.392 -1.16627 -8.85418 GPRESSAVG: 4226000 -2.62522 -39.098 -11.7921 -37.1608 15.8789 -2.7246 -12.6198 -1.09758 -8.83155 TIMING: 4226000 CPU: 13671.4, 0.00313898/step Wall: 13671.4, 0.00313898/step, 0.674881 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4226000 4150.1469 20707.1943 14465.9774 228.3770 -203563.8935 2566.1329 0.0000 0.0000 52099.0220 -109347.0430 299.4138 -161446.0650 -108997.8497 299.4221 -68.2955 -41.9985 760595.4916 1.4206 1.4740 PRESSURE: 4226200 58.0281 -130.148 -243.297 -130.148 -164.703 20.0486 -243.297 20.0491 -200.741 GPRESSURE: 4226200 13.8631 -139.871 -243.867 -147.25 -12.7584 28.5865 -197.549 59.8917 -200.421 PRESSAVG: 4226200 38.2676 -23.4556 4.16679 -23.4556 -31.6833 -36.9348 4.16683 -36.9349 26.1418 GPRESSAVG: 4226200 36.7396 -22.1989 3.55023 -22.9645 -31.3741 -34.1601 3.98231 -39.1452 26.9686 TIMING: 4226200 CPU: 13672.1, 0.00314032/step Wall: 13672.1, 0.00314032/step, 0.674995 hours remaining, 234.113281 MB of memory in use. ENERGY: 4226200 3969.6249 20511.6658 14487.9498 249.7448 -203316.7282 2501.8563 0.0000 0.0000 52006.8942 -109588.9924 298.8843 -161595.8866 -109227.1379 299.2460 -102.4717 -66.4389 761222.6231 10.9087 10.7780 PRESSURE: 4226400 -201.668 16.5071 -11.4801 16.5075 -146.791 17.1701 -11.4798 17.1705 -578.38 GPRESSURE: 4226400 -131.602 -105.67 47.6339 49.8937 -206.643 41.7454 -156.545 -85.0888 -511.385 PRESSAVG: 4226400 38.4743 -23.0719 -8.66644 -23.0718 -31.1294 -55.0101 -8.6665 -55.0101 10.8509 GPRESSAVG: 4226400 40.1332 -26.6851 -7.88678 -22.6713 -31.1891 -56.7544 -9.34189 -53.113 9.70772 TIMING: 4226400 CPU: 13672.7, 0.00313398/step Wall: 13672.7, 0.00313398/step, 0.673457 hours remaining, 234.113281 MB of memory in use. ENERGY: 4226400 4011.9567 20424.5182 14570.9436 225.4523 -203066.9896 2168.0180 0.0000 0.0000 52122.6779 -109543.4230 299.5497 -161666.1009 -109172.3611 298.6929 -308.9465 -283.2102 759422.3086 6.0653 6.2173 PRESSURE: 4226600 -131.128 -111.447 46.3715 -111.446 195.432 -98.442 46.3707 -98.4422 92.0209 GPRESSURE: 4226600 -114.01 -136.472 173.515 -71.3504 152.339 -108.856 73.3851 -10.3624 191.218 PRESSAVG: 4226600 23.2297 -20.8236 -42.1554 -20.8237 -35.7958 -10.3228 -42.1554 -10.3227 21.1838 GPRESSAVG: 4226600 23.3572 -19.5763 -40.9044 -21.7956 -35.6426 -8.76694 -40.4465 -11.3859 21.1929 TIMING: 4226600 CPU: 13673.3, 0.00313793/step Wall: 13673.3, 0.00313794/step, 0.674133 hours remaining, 234.113281 MB of memory in use. ENERGY: 4226600 4016.0625 20687.3550 14576.0609 244.2544 -203284.3204 2833.0674 0.0000 0.0000 51727.7813 -109199.7390 297.2803 -160927.5203 -108836.1237 298.9895 52.1084 76.5158 761559.7448 2.8726 2.9692 PRESSURE: 4226800 -0.40047 161.595 15.3527 161.594 -108.601 -4.61005 15.3526 -4.61003 303.451 GPRESSURE: 4226800 29.1621 165.054 88.6865 103.524 -43.9195 -44.4435 44.597 -81.1184 302.266 PRESSAVG: 4226800 48.6144 -10.4453 -4.24271 -10.4453 -80.8047 -24.1968 -4.24276 -24.1967 -12.4278 GPRESSAVG: 4226800 48.3138 -10.3417 -5.91675 -10.5886 -78.921 -23.7562 -6.07986 -26.8279 -13.1101 TIMING: 4226800 CPU: 13673.9, 0.00311682/step Wall: 13673.9, 0.00311682/step, 0.669423 hours remaining, 234.113281 MB of memory in use. ENERGY: 4226800 3894.1587 20666.3155 14506.2218 275.5898 -203095.1333 2595.9269 0.0000 0.0000 52063.2477 -109093.6729 299.2082 -161156.9207 -108729.4191 299.6035 64.8166 95.8361 761960.4488 -14.8727 -14.5724 PRESSURE: 4227000 -4.80091 -365.136 69.2114 -365.136 -172.509 -121.161 69.2126 -121.162 146.984 GPRESSURE: 4227000 17.7134 -279.574 22.0446 -283.964 -13.9247 -134.79 14.8709 -112.873 53.9131 PRESSAVG: 4227000 -49.4905 -84.6199 31.6581 -84.6198 54.2743 -45.1989 31.6581 -45.1989 4.75343 GPRESSAVG: 4227000 -49.487 -85.4018 31.8199 -85.2393 54.6331 -45.9047 29.7473 -41.6235 4.26617 TIMING: 4227000 CPU: 13674.6, 0.00311316/step Wall: 13674.6, 0.00311316/step, 0.668465 hours remaining, 234.113281 MB of memory in use. ENERGY: 4227000 3975.5489 20409.5710 14536.3712 245.8981 -203509.6735 2736.3998 0.0000 0.0000 52225.9996 -109379.8850 300.1435 -161605.8846 -109016.5167 299.8325 -10.1086 19.2339 761627.5761 3.1791 3.1374 PRESSURE: 4227200 -378.821 -238.999 182.444 -238.999 36.6464 100.75 182.443 100.751 8.79647 GPRESSURE: 4227200 -325.706 -253.134 144.437 -256.978 116.474 121.806 114.601 53.9082 -20.5309 PRESSAVG: 4227200 -2.24992 -83.2094 11.2304 -83.2094 -8.6228 -5.60809 11.2304 -5.60809 -3.01918 GPRESSAVG: 4227200 -3.35018 -82.6893 10.1372 -83.0555 -9.47524 -6.3932 15.0116 -7.16778 -0.815707 TIMING: 4227200 CPU: 13675.2, 0.00311985/step Wall: 13675.2, 0.00311985/step, 0.669728 hours remaining, 234.113281 MB of memory in use. ENERGY: 4227200 3967.8808 20697.0110 14580.2505 236.6033 -203656.4681 2671.5980 0.0000 0.0000 51938.4611 -109564.6634 298.4910 -161503.1245 -109208.0982 299.2352 -111.1261 -76.5877 761429.6818 -4.6306 -4.5470 PRESSURE: 4227400 53.5986 7.36147 -22.2958 7.36236 173.455 -216.93 -22.2957 -216.931 -229.796 GPRESSURE: 4227400 112.324 -90.2994 -32.0108 -25.6134 137.422 -211.535 91.0594 -195.812 -166.443 PRESSAVG: 4227400 -31.0626 -79.9395 -25.3425 -79.9395 25.0836 -14.8252 -25.3424 -14.8253 25.9478 GPRESSAVG: 4227400 -30.0382 -79.9387 -24.1301 -81.945 24.3385 -16.1094 -26.2955 -13.1733 25.7422 TIMING: 4227400 CPU: 13675.8, 0.00313079/step Wall: 13675.8, 0.00313079/step, 0.671902 hours remaining, 234.113281 MB of memory in use. ENERGY: 4227400 3937.7415 20627.4489 14582.8900 227.7782 -203372.5087 2645.1363 0.0000 0.0000 52000.3996 -109351.1144 298.8470 -161351.5139 -109000.1088 299.2488 -0.9140 27.7677 761810.8690 6.6563 6.6808 PRESSURE: 4227600 188.977 -35.2939 -3.83321 -35.2942 215.261 -63.1599 -3.83396 -63.1614 151.012 GPRESSURE: 4227600 162.147 63.6393 34.2003 -162.756 294.534 8.76662 -48.7352 -28.7264 198.503 PRESSAVG: 4227600 -51.7738 -18.7327 13.9657 -18.7327 8.14558 49.124 13.9657 49.124 -8.33257 GPRESSAVG: 4227600 -52.6351 -18.0566 13.0644 -15.6942 8.44467 50.6132 14.0544 47.4344 -8.18155 TIMING: 4227600 CPU: 13676.4, 0.0031514/step Wall: 13676.4, 0.0031514/step, 0.67615 hours remaining, 234.113281 MB of memory in use. ENERGY: 4227600 3996.2565 20357.1289 14564.1673 255.8381 -203350.9079 2357.3731 0.0000 0.0000 52299.4901 -109520.6540 300.5659 -161820.1440 -109156.2609 299.7115 185.0831 218.3944 760297.4437 -17.3203 -17.4573 PRESSURE: 4227800 -58.4734 -95.0709 -190.932 -95.072 21.0992 -135.223 -190.933 -135.226 -119.905 GPRESSURE: 4227800 -47.8975 -193.427 -210.078 21.3031 81.6034 -25.3428 -180.259 -294.039 -114.242 PRESSAVG: 4227800 31.8111 -32.0953 50.232 -32.0952 34.0207 -18.7903 50.232 -18.7903 7.01944 GPRESSAVG: 4227800 32.9448 -31.4936 49.8961 -32.6287 33.8782 -19.2994 50.9006 -16.8617 6.32085 TIMING: 4227800 CPU: 13677.1, 0.0031372/step Wall: 13677.1, 0.0031372/step, 0.67293 hours remaining, 234.113281 MB of memory in use. ENERGY: 4227800 4004.5723 20652.3853 14537.3979 237.3980 -203528.8481 2630.4946 0.0000 0.0000 51972.8719 -109493.7281 298.6888 -161466.5999 -109140.6354 299.5566 -52.4265 -26.8455 761341.3389 24.2837 24.3813 PRESSURE: 4228000 301.175 -139.058 276.308 -139.057 -25.1583 -90.5242 276.307 -90.524 131.386 GPRESSURE: 4228000 267.659 -172.426 155.596 -109.679 138.454 1.00669 231.018 -190.052 102.559 PRESSAVG: 4228000 12.4324 -50.1753 44.3256 -50.1753 -38.5325 -30.5206 44.3256 -30.5205 15.9847 GPRESSAVG: 4228000 11.2338 -50.2994 45.6944 -50.4064 -38.0104 -28.1597 43.1277 -33.1202 16.5745 TIMING: 4228000 CPU: 13677.7, 0.00312161/step Wall: 13677.7, 0.00312161/step, 0.669413 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4228000 3977.8305 20478.4698 14527.6356 231.0192 -203273.3588 2562.9221 0.0000 0.0000 52080.5433 -109414.9382 299.3076 -161495.4814 -109055.4850 299.1650 135.8007 169.5574 761607.2551 -3.3718 -3.4007 PRESSURE: 4228200 -169.222 -46.8457 326.459 -46.8455 283.023 -4.86806 326.46 -4.86714 -43.6156 GPRESSURE: 4228200 -81.6093 -68.5656 318.069 -97.2219 255.42 -46.104 209.704 97.3586 -29.118 PRESSAVG: 4228200 -18.7297 -35.2691 52.8623 -35.2692 20.0132 47.6251 52.8623 47.6251 -6.08066 GPRESSAVG: 4228200 -17.7605 -35.93 51.8399 -34.9448 18.3087 46.2523 53.2489 48.8337 -5.26088 TIMING: 4228200 CPU: 13678.3, 0.00313613/step Wall: 13678.3, 0.00313613/step, 0.672352 hours remaining, 234.113281 MB of memory in use. ENERGY: 4228200 4063.2877 20499.6458 14486.5738 256.4182 -203345.3245 2691.3232 0.0000 0.0000 51855.4553 -109492.6206 298.0140 -161348.0759 -109133.3177 299.2652 23.3951 48.2308 761815.2246 -1.5990 -1.5709 LDB: ============= START OF LOAD BALANCING ============== 13690.7 LDB: ============== END OF LOAD BALANCING =============== 13690.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13690.7 LDB: ============= START OF LOAD BALANCING ============== 13691.1 LDB: Largest compute 7078 load 0.033234 is 17.0% of average load 0.195536 LDB: Average compute 0.004396 is 2.2% of average load 0.195536 LDB: TIME 13691.1 LOAD: AVG 0.195536 MAX 0.214047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 13691.1 LOAD: AVG 0.195536 MAX 0.214047 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 13691.1 LOAD: AVG 0.195536 MAX 0.214047 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 13691.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13691.1 PRESSURE: 4228400 280.324 -87.5002 -391.165 -87.5006 -159.442 73.1597 -391.165 73.1599 140.747 GPRESSURE: 4228400 259.15 7.68249 -420.623 -18.6915 -127.621 128.819 -442.731 20.3716 193.965 PRESSAVG: 4228400 20.8264 -22.0084 47.1447 -22.0083 -1.08316 -16.5678 47.1447 -16.5678 8.16624 GPRESSAVG: 4228400 19.7061 -22.3236 48.0456 -22.2348 -0.314634 -15.1217 47.2341 -15.5747 8.52163 TIMING: 4228400 CPU: 13679, 0.00319906/step Wall: 13679, 0.00319906/step, 0.685665 hours remaining, 233.914062 MB of memory in use. ENERGY: 4228400 4058.5923 20366.0249 14475.7081 216.1640 -203783.5441 2810.9187 0.0000 0.0000 52153.4961 -109702.6400 299.7269 -161856.1360 -109338.6128 298.8002 87.2098 108.4979 761543.8407 9.3032 9.3044 PRESSURE: 4228600 -363.335 6.88346 119.176 6.88302 -32.1067 -167.101 119.175 -167.102 -159.442 GPRESSURE: 4228600 -252.425 10.5462 90.9962 -175.849 -59.3203 -118.257 132.889 -162.792 -156.097 PRESSAVG: 4228600 9.2131 41.9939 67.3424 41.994 -52.7681 26.4529 67.3423 26.4529 15.6555 GPRESSAVG: 4228600 9.53577 41.4718 67.6342 43.2418 -51.9041 25.7717 66.9841 23.2431 14.4047 TIMING: 4228600 CPU: 13679.6, 0.00313302/step Wall: 13679.6, 0.00313302/step, 0.671336 hours remaining, 234.515625 MB of memory in use. ENERGY: 4228600 3973.2944 20386.0468 14460.2918 230.7429 -203320.8207 2346.4918 0.0000 0.0000 52086.8715 -109837.0815 299.3440 -161923.9530 -109473.1675 298.4971 -184.9612 -155.9476 762153.3642 -9.2998 -9.3212 PRESSURE: 4228800 -239.355 1.91773 -207.599 1.91758 -308.306 19.797 -207.6 19.7962 -518.002 GPRESSURE: 4228800 -159.898 9.5096 -155.726 54.0317 -374.066 35.2541 -271.88 89.5757 -439.955 PRESSAVG: 4228800 56.7005 18.338 -11.6328 18.338 -43.4625 6.41764 -11.6328 6.41763 -10.946 GPRESSAVG: 4228800 56.269 16.0687 -12.9307 16.7842 -44.2942 8.2003 -10.6112 6.61239 -9.68249 TIMING: 4228800 CPU: 13680.2, 0.00312498/step Wall: 13680.2, 0.00312498/step, 0.66944 hours remaining, 234.515625 MB of memory in use. ENERGY: 4228800 3913.5629 20327.4001 14498.7437 244.9349 -202695.6582 1865.0114 0.0000 0.0000 51910.2037 -109935.8014 298.3287 -161846.0052 -109567.7371 298.1425 -355.2210 -324.6398 761221.1895 0.7640 0.7641 PRESSURE: 4229000 -118.788 226.507 -32.9763 226.506 139.747 -52.6038 -32.9759 -52.6037 19.798 GPRESSURE: 4229000 -143.372 249.517 -33.0717 401.849 186.092 -116.782 -178.869 -32.9968 81.8827 PRESSAVG: 4229000 17.7559 45.3863 14.6 45.3863 -42.3975 -15.9551 14.6 -15.9552 25.8113 GPRESSAVG: 4229000 18.8605 47.2832 15.7717 44.5293 -42.1966 -19.8732 13.0168 -11.7563 24.4986 TIMING: 4229000 CPU: 13680.8, 0.00313182/step Wall: 13680.8, 0.00313182/step, 0.670731 hours remaining, 234.515625 MB of memory in use. ENERGY: 4229000 3923.0310 20469.9992 14521.8979 269.0316 -203454.7950 2618.8372 0.0000 0.0000 51913.4976 -109738.5005 298.3476 -161651.9981 -109381.0368 299.0201 13.5855 41.5341 760801.4829 0.3899 0.3875 PRESSURE: 4229200 40.5424 -260.104 117.34 -260.104 15.9665 18.2774 117.34 18.2766 253.358 GPRESSURE: 4229200 91.7686 -274.327 48.5636 -201.85 25.9031 -43.2083 151.71 29.9054 298.163 PRESSAVG: 4229200 31.8809 8.74825 1.63569 8.74827 -45.374 29.1598 1.63568 29.1598 -16.238 GPRESSAVG: 4229200 31.366 10.6927 0.907784 9.69052 -44.8341 29.8985 1.51739 28.1124 -15.7202 TIMING: 4229200 CPU: 13681.5, 0.00311231/step Wall: 13681.5, 0.00311231/step, 0.666381 hours remaining, 234.515625 MB of memory in use. ENERGY: 4229200 4000.3338 20456.4301 14424.0764 240.7599 -203535.5169 2676.2934 0.0000 0.0000 51989.9748 -109747.6485 298.7871 -161737.6233 -109391.9546 299.1494 103.2890 138.6117 759705.5817 -9.9104 -9.7294 PRESSURE: 4229400 17.4199 117.12 -226.242 117.12 -232.452 49.4587 -226.241 49.4577 413.357 GPRESSURE: 4229400 86.1239 24.877 -152.575 185.924 -217.996 55.7978 -284.816 212.789 407.813 PRESSAVG: 4229400 10.8598 19.7989 44.3775 19.7989 25.518 7.13815 44.3774 7.13814 28.2508 GPRESSAVG: 4229400 11.4862 18.3607 45.3216 19.1071 25.1822 6.33705 42.6428 8.31846 28.262 TIMING: 4229400 CPU: 13682.1, 0.00314533/step Wall: 13682.1, 0.00314533/step, 0.673275 hours remaining, 234.515625 MB of memory in use. ENERGY: 4229400 3932.0798 20387.7165 14491.7015 263.6260 -203414.5269 2561.4238 0.0000 0.0000 52153.6329 -109624.3465 299.7276 -161777.9794 -109257.0558 298.8216 66.1084 91.9801 760213.2480 21.5429 21.6435 PRESSURE: 4229600 -61.6786 -76.5236 8.51195 -76.5239 79.3212 148.169 8.51184 148.17 72.7089 GPRESSURE: 4229600 -116.709 -82.91 -6.34995 -13.91 181.695 199.018 17.8592 -7.55086 98.2656 PRESSAVG: 4229600 32.0075 75.4694 7.13692 75.4695 -30.9349 -86.2212 7.13698 -86.2212 -9.33289 GPRESSAVG: 4229600 32.1286 74.7995 8.96861 77.5356 -29.8726 -85.8864 8.11618 -87.5488 -10.6871 TIMING: 4229600 CPU: 13682.7, 0.00314061/step Wall: 13682.7, 0.00314061/step, 0.672091 hours remaining, 234.515625 MB of memory in use. ENERGY: 4229600 3861.4722 20451.9539 14519.6579 249.5900 -203661.6372 2871.8835 0.0000 0.0000 52167.0479 -109540.0319 299.8047 -161707.0798 -109172.9838 298.9708 30.1171 54.4170 760628.5013 -2.7534 -2.8104 PRESSURE: 4229800 -7.67208 160.027 175.128 160.027 166.46 191.523 175.129 191.523 290.176 GPRESSURE: 4229800 65.4985 22.4604 184.271 189.817 65.8558 241.138 155.523 157.766 402.379 PRESSAVG: 4229800 34.415 3.84809 35.2427 3.84808 -55.853 -43.7122 35.2427 -43.7122 17.3794 GPRESSAVG: 4229800 35.058 3.30014 34.4501 1.86177 -56.4564 -44.0452 36.8784 -45.1011 17.7309 TIMING: 4229800 CPU: 13683.4, 0.00313797/step Wall: 13683.4, 0.00313797/step, 0.671351 hours remaining, 234.515625 MB of memory in use. ENERGY: 4229800 3925.3988 20371.8093 14494.9646 257.2114 -203299.4397 2497.2231 0.0000 0.0000 52196.8714 -109555.9611 299.9761 -161752.8325 -109199.6032 298.9862 149.6549 177.9112 759395.0276 -1.3529 -1.2225 PRESSURE: 4230000 -54.6788 -98.7231 -87.0301 -98.7237 -407.666 394.797 -87.0301 394.796 3.20438 GPRESSURE: 4230000 -50.3281 -58.3218 -59.5966 48.8053 -291.707 391.391 -231.54 296.773 -38.3513 PRESSAVG: 4230000 25.9744 14.6065 -8.86745 14.6065 -30.1918 -54.3322 -8.86748 -54.3321 -15.654 GPRESSAVG: 4230000 25.8326 15.5607 -9.74957 15.5444 -30.6595 -54.0435 -11.3018 -54.871 -15.1581 TIMING: 4230000 CPU: 13684, 0.00314875/step Wall: 13684, 0.00314875/step, 0.673482 hours remaining, 234.515625 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: 4230000 3944.0469 20593.7561 14427.7361 251.4449 -202962.8484 2233.0214 0.0000 0.0000 52200.8329 -109312.0100 299.9989 -161512.8430 -108946.2975 299.2042 -153.0468 -126.7956 762348.3881 -6.6238 -6.6616 PRESSURE: 4230200 144.485 -66.4204 -28.375 -66.4201 467.204 -151.811 -28.3754 -151.812 -163.448 GPRESSURE: 4230200 231.667 -108.104 -126.047 -12.5823 447.005 -203.208 68.728 -140.659 -142.079 PRESSAVG: 4230200 -13.4484 -33.9658 -46.9159 -33.9658 33.5677 1.37597 -46.9159 1.37602 34.3884 GPRESSAVG: 4230200 -12.6798 -34.2095 -46.5295 -34.4966 33.4583 3.17829 -45.6792 1.5771 33.9096 TIMING: 4230200 CPU: 13684.6, 0.00314131/step Wall: 13684.6, 0.00314131/step, 0.671716 hours remaining, 234.656250 MB of memory in use. ENERGY: 4230200 3962.7574 20515.2949 14507.0365 233.7706 -203070.2035 2511.7335 0.0000 0.0000 52254.2122 -109085.3983 300.3057 -161339.6105 -108717.3028 299.8628 149.4134 178.8647 762682.0647 18.1692 18.2294 PRESSURE: 4230400 306.747 60.4829 64.58 60.4828 112.403 -263.966 64.5792 -263.966 71.0548 GPRESSURE: 4230400 381.29 65.9014 -34.9273 -46.9813 98.2069 -338.29 -31.44 -149.96 102.445 PRESSAVG: 4230400 20.2681 -70.6131 -35.0306 -70.6131 -36.7298 1.84064 -35.0306 1.84064 2.43288 GPRESSAVG: 4230400 19.718 -70.2977 -36.8494 -69.1087 -36.5807 0.697297 -34.7931 1.88303 3.2083 TIMING: 4230400 CPU: 13685.2, 0.00312846/step Wall: 13685.2, 0.00312846/step, 0.668795 hours remaining, 234.656250 MB of memory in use. ENERGY: 4230400 4013.7996 20471.9037 14438.3941 260.9090 -202972.1625 2457.3760 0.0000 0.0000 52094.7788 -109235.0013 299.3894 -161329.7802 -108883.0574 299.5657 163.4017 193.9806 761848.7910 -4.6763 -4.5515 PRESSURE: 4230600 -179.908 -41.3761 -202.874 -41.3757 368.395 111.057 -202.874 111.058 132.057 GPRESSURE: 4230600 -72.3575 -31.7475 -134.786 -87.7423 255.659 72.2073 -239.406 287.42 227.617 PRESSAVG: 4230600 -12.1105 -21.3003 -26.6606 -21.3003 30.7513 -8.17635 -26.6606 -8.17632 -9.72092 GPRESSAVG: 4230600 -12.5073 -20.8575 -25.5509 -22.2196 31.305 -8.39464 -27.2025 -7.37624 -9.60291 TIMING: 4230600 CPU: 13685.9, 0.00314234/step Wall: 13685.9, 0.00314234/step, 0.671588 hours remaining, 234.656250 MB of memory in use. ENERGY: 4230600 3942.5401 20405.9744 14545.1695 264.7467 -203036.0576 2452.6585 0.0000 0.0000 52109.9217 -109315.0467 299.4764 -161424.9684 -108946.1162 299.6936 106.8479 136.9727 760631.1096 2.9733 3.0649 PRESSURE: 4230800 1.60507 79.2159 128.66 79.2167 -71.2328 -5.94191 128.66 -5.94325 19.5286 GPRESSURE: 4230800 24.2239 124.029 123.338 190.894 8.05308 118.482 185.199 -74.0101 -5.81426 PRESSAVG: 4230800 -90.4641 -34.0361 -13.2928 -34.0361 25.3647 -25.4725 -13.2929 -25.4725 -11.1681 GPRESSAVG: 4230800 -89.9478 -34.5021 -10.7252 -33.3972 26.0476 -24.6224 -14.1341 -28.5458 -12.5451 TIMING: 4230800 CPU: 13686.5, 0.00315537/step Wall: 13686.5, 0.00315537/step, 0.674197 hours remaining, 234.656250 MB of memory in use. ENERGY: 4230800 4040.8658 20451.3216 14408.4564 240.9695 -202610.8473 2179.4139 0.0000 0.0000 52225.9298 -109063.8903 300.1431 -161289.8201 -108709.8555 299.5771 -16.6997 8.8209 761446.5869 -25.4225 -25.4817 PRESSURE: 4231000 -75.4349 256.884 -2.31485 256.884 55.7955 8.96313 -2.31331 8.9633 103.738 GPRESSURE: 4231000 -3.79963 153.449 -42.6318 227.707 81.0066 -1.45202 -50.1512 -36.9211 80.1168 PRESSAVG: 4231000 -17.7855 -35.5197 -5.85376 -35.5196 -4.62896 -16.3116 -5.85379 -16.3116 -33.7701 GPRESSAVG: 4231000 -15.9216 -35.5906 -8.52265 -34.9326 -7.05901 -16.1197 -3.64893 -13.6899 -32.5016 TIMING: 4231000 CPU: 13687.1, 0.00314344/step Wall: 13687.1, 0.00314344/step, 0.671474 hours remaining, 234.656250 MB of memory in use. ENERGY: 4231000 4018.8566 20612.6715 14425.1147 230.7116 -203250.4332 2623.9241 0.0000 0.0000 52331.1088 -109008.0458 300.7476 -161339.1546 -108646.8050 300.3621 28.0330 52.4413 760867.6709 -18.7282 -18.4941 PRESSURE: 4231200 54.1183 159.084 170.344 159.084 -192.724 -51.2073 170.344 -51.207 400.807 GPRESSURE: 4231200 33.9569 132.358 112.493 -55.0109 -159.114 -98.4028 111.187 -155.023 462.673 PRESSAVG: 4231200 -9.87734 -34.9844 -18.4245 -34.9844 16.4792 10.2537 -18.4245 10.2537 10.1884 GPRESSAVG: 4231200 -12.3096 -34.8917 -19.3151 -36.0835 18.6217 8.98156 -18.0306 8.98885 9.88302 TIMING: 4231200 CPU: 13687.8, 0.00314742/step Wall: 13687.8, 0.00314742/step, 0.672149 hours remaining, 234.656250 MB of memory in use. ENERGY: 4231200 4000.9227 20552.1948 14406.5087 228.3659 -203093.4387 2365.3470 0.0000 0.0000 52346.0157 -109194.0838 300.8333 -161540.0996 -108840.1345 299.8295 87.4004 112.5053 759702.6695 5.5967 5.3984 PRESSURE: 4231400 317.505 -17.9711 43.6734 -17.9712 249.081 140.408 43.6729 140.409 -577.541 GPRESSURE: 4231400 365.62 33.7969 -15.1012 69.126 175.427 97.8457 45.3241 34.7646 -472.291 PRESSAVG: 4231400 31.479 12.9702 -26.0693 12.9701 47.8898 -29.9339 -26.0694 -29.934 -3.34719 GPRESSAVG: 4231400 31.1953 13.5648 -25.2741 11.9245 47.0378 -28.7925 -27.813 -30.3204 -2.0192 TIMING: 4231400 CPU: 13688.4, 0.00314228/step Wall: 13688.4, 0.00314228/step, 0.670877 hours remaining, 234.656250 MB of memory in use. ENERGY: 4231400 4066.6403 20613.2593 14477.0730 252.7893 -203140.9400 2449.5126 0.0000 0.0000 52068.4837 -109213.1817 299.2383 -161281.6654 -108855.2514 299.9781 -3.6519 22.9185 760523.9963 25.3405 25.4046 PRESSURE: 4231600 43.3662 -102.002 123.088 -102.002 315.282 104.281 123.087 104.28 441.85 GPRESSURE: 4231600 155.206 -79.0272 55.9264 0.805087 347.795 46.8422 199.11 189.19 387.248 PRESSAVG: 4231600 -5.95157 -14.0321 6.28344 -14.0322 -17.4665 -12.9475 6.28344 -12.9475 -12.1072 GPRESSAVG: 4231600 -4.48391 -12.9918 6.61499 -13.8128 -17.5872 -13.8787 6.29047 -13.1257 -13.7093 TIMING: 4231600 CPU: 13689, 0.00313589/step Wall: 13689, 0.00313589/step, 0.669339 hours remaining, 234.695312 MB of memory in use. ENERGY: 4231600 3962.5850 20592.3621 14569.6871 255.0732 -202939.9614 2435.2152 0.0000 0.0000 52063.7110 -109061.3278 299.2109 -161125.0387 -108702.2948 299.6897 266.8329 296.7499 761653.9408 -11.8417 -11.9268 PRESSURE: 4231800 83.4939 -157.024 -215.079 -157.025 -210.257 -31.507 -215.079 -31.5077 104.893 GPRESSURE: 4231800 -5.63979 -94.4837 -335.695 -47.1006 -138.789 -9.07533 -83.3131 -101.289 214.414 PRESSAVG: 4231800 18.7621 -38.4309 69.9604 -38.431 -54.6398 -30.4689 69.9604 -30.469 -15.7898 GPRESSAVG: 4231800 17.5568 -40.9703 70.2979 -37.1132 -55.3566 -30.5875 70.0806 -28.1927 -14.3776 TIMING: 4231800 CPU: 13689.6, 0.00315861/step Wall: 13689.6, 0.00315861/step, 0.674013 hours remaining, 234.695312 MB of memory in use. ENERGY: 4231800 3985.5192 20402.3566 14456.7225 256.0423 -203039.8396 2569.0745 0.0000 0.0000 52226.3926 -109143.7319 300.1458 -161370.1245 -108772.7405 299.9841 -7.2902 23.3284 760477.8579 -17.2225 -17.3925 PRESSURE: 4232000 -216.83 84.5244 -45.1105 84.5243 38.7818 54.545 -45.1103 54.5445 -249.564 GPRESSURE: 4232000 -164.741 82.6411 -20.3681 87.018 -15.6276 75.8761 18.1977 150.317 -162.568 PRESSAVG: 4232000 -5.5097 -50.7313 40.6414 -50.7312 10.4129 -0.187964 40.6413 -0.187959 17.1721 GPRESSAVG: 4232000 -5.58387 -50.6129 40.7813 -49.4911 10.8485 1.1669 40.7959 -0.949824 17.0171 TIMING: 4232000 CPU: 13690.3, 0.00316313/step Wall: 13690.3, 0.00316313/step, 0.674801 hours remaining, 234.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4232000 3932.6988 20493.1310 14490.9122 237.1379 -202678.5515 2248.8359 0.0000 0.0000 52100.3052 -109175.5305 299.4212 -161275.8357 -108806.6395 299.6427 -142.5374 -114.3120 763835.4054 7.3584 7.4273 PRESSURE: 4232200 -253.644 75.6756 63.135 75.6761 95.7853 226.262 63.1342 226.262 57.4994 GPRESSURE: 4232200 -160.244 138.246 79.2304 -55.774 25.4252 177.693 135.35 159.451 91.7818 PRESSAVG: 4232200 -77.4683 -25.4172 -12.7019 -25.4172 91.8705 17.7503 -12.7019 17.7503 3.72116 GPRESSAVG: 4232200 -76.4666 -24.777 -12.9857 -26.2077 91.4883 18.7811 -10.7477 16.7193 2.98693 TIMING: 4232200 CPU: 13690.9, 0.00315279/step Wall: 13690.9, 0.00315279/step, 0.672419 hours remaining, 234.695312 MB of memory in use. ENERGY: 4232200 4054.1961 20547.1651 14420.5292 236.5925 -203156.4367 2567.6414 0.0000 0.0000 52195.5330 -109134.7793 299.9684 -161330.3123 -108773.1232 299.9479 -33.4530 -14.3456 762318.6859 6.0411 6.0029 LDB: ============= START OF LOAD BALANCING ============== 13703.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13703.3 LDB: =============== DONE WITH MIGRATION ================ 13703.3 LDB: ============= START OF LOAD BALANCING ============== 13703.6 LDB: Largest compute 7058 load 0.034521 is 17.7% of average load 0.195519 LDB: Average compute 0.004411 is 2.3% of average load 0.195519 LDB: TIME 13703.6 LOAD: AVG 0.195519 MAX 0.214059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 13703.6 LOAD: AVG 0.195519 MAX 0.214059 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: TIME 13703.6 LOAD: AVG 0.195519 MAX 0.214059 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: ============== END OF LOAD BALANCING =============== 13703.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13703.7 PRESSURE: 4232400 -260.753 -191.517 -1.40979 -191.517 -143.983 39.1884 -1.41004 39.1881 -307.635 GPRESSURE: 4232400 -232.491 -221.828 -63.2109 -110.827 -76.164 1.23536 -102.809 25.2142 -315.676 PRESSAVG: 4232400 7.83485 -68.1028 -3.04011 -68.1027 -4.72743 4.35858 -3.04006 4.35854 26.3085 GPRESSAVG: 4232400 6.49272 -67.2559 -3.33007 -68.9456 -3.81915 1.99363 -2.92242 4.82098 27.1854 TIMING: 4232400 CPU: 13691.5, 0.00320617/step Wall: 13691.5, 0.00320617/step, 0.683626 hours remaining, 235.882812 MB of memory in use. ENERGY: 4232400 4046.6006 20583.7945 14444.2154 242.9046 -203233.5972 2708.0901 0.0000 0.0000 51996.8048 -109211.1873 298.8264 -161207.9921 -108854.1005 300.2116 -237.4571 -208.1102 762590.6975 9.8053 9.9530 PRESSURE: 4232600 -201.661 -198.45 210.28 -198.45 -423.783 21.6279 210.281 21.6275 -393.997 GPRESSURE: 4232600 -206.439 -185.862 280.22 -221.551 -370.085 20.5123 246.028 78.4108 -355.171 PRESSAVG: 4232600 27.6447 -12.6964 -29.063 -12.6963 -96.1801 1.87335 -29.063 1.87333 -17.3288 GPRESSAVG: 4232600 27.5652 -12.7424 -29.2227 -13.0564 -95.5014 2.08172 -30.3925 3.12514 -17.6974 TIMING: 4232600 CPU: 13692.2, 0.00313739/step Wall: 13692.2, 0.00313739/step, 0.668786 hours remaining, 236.082031 MB of memory in use. ENERGY: 4232600 4028.1562 20671.1654 14481.7854 256.1505 -203118.6777 2296.6415 0.0000 0.0000 52066.7900 -109317.9887 299.2286 -161384.7786 -108959.6092 300.1365 -339.8134 -310.5651 763651.1598 -28.6214 -28.5445 PRESSURE: 4232800 118.813 -298.41 -127.187 -298.41 407.491 -46.8629 -127.186 -46.8633 504.741 GPRESSURE: 4232800 190.247 -176.154 -138.332 -286.611 450.748 -32.7487 -131.517 -62.2162 471.899 PRESSAVG: 4232800 34.5072 -78.5145 -4.1211 -78.5144 -26.006 -12.3452 -4.1211 -12.3452 3.81153 GPRESSAVG: 4232800 34.7191 -79.5104 -3.72931 -76.2058 -26.2661 -12.9252 -3.91181 -11.7484 3.34768 TIMING: 4232800 CPU: 13692.8, 0.0031443/step Wall: 13692.8, 0.0031443/step, 0.670085 hours remaining, 236.082031 MB of memory in use. ENERGY: 4232800 3971.9719 20553.7407 14486.3851 239.7318 -203580.9489 2937.1378 0.0000 0.0000 52040.1800 -109351.8015 299.0756 -161391.9815 -109003.3001 300.0510 343.6818 370.9644 761026.7200 4.1043 3.9335 PRESSURE: 4233000 -45.5059 70.0455 -101.098 70.0451 35.9866 -129.851 -101.098 -129.85 328.812 GPRESSURE: 4233000 93.9628 6.00942 -85.6257 43.9336 -60.0213 -178.357 -87.0076 -68.2672 380.074 PRESSAVG: 4233000 -8.88277 -38.7828 -41.1706 -38.7829 11.049 -13.0632 -41.1706 -13.0633 6.12796 GPRESSAVG: 4233000 -7.71636 -38.4275 -41.0404 -38.8255 9.92706 -11.7767 -40.2356 -14.297 5.69664 TIMING: 4233000 CPU: 13693.4, 0.00314853/step Wall: 13693.4, 0.00314853/step, 0.670812 hours remaining, 236.082031 MB of memory in use. ENERGY: 4233000 3999.2593 20384.0685 14458.9659 242.6785 -202948.2944 2363.3549 0.0000 0.0000 52176.1456 -109323.8218 299.8570 -161499.9673 -108953.6759 300.0793 106.4310 138.0052 762041.2855 2.7647 2.6358 PRESSURE: 4233200 -286.414 -253.249 98.4786 -253.248 54.044 -49.3031 98.4795 -49.3027 201.538 GPRESSURE: 4233200 -337.85 -267.006 45.8623 -306.914 152.082 -61.1227 49.1176 4.13959 239.851 PRESSAVG: 4233200 34.9207 -46.486 0.254425 -46.4859 -6.99008 -40.9967 0.254335 -40.9967 -1.12072 GPRESSAVG: 4233200 32.7345 -45.7045 -0.416251 -48.2367 -6.65174 -41.1037 -1.29083 -39.7672 0.763607 TIMING: 4233200 CPU: 13694.1, 0.00314495/step Wall: 13694.1, 0.00314495/step, 0.669873 hours remaining, 236.082031 MB of memory in use. ENERGY: 4233200 3973.9925 20460.4990 14467.5757 243.9025 -203511.6402 2809.0773 0.0000 0.0000 52225.8385 -109330.7547 300.1426 -161556.5933 -108973.1440 299.8291 -10.2773 18.0279 761936.7020 8.9366 8.9488 PRESSURE: 4233400 -20.4455 -137.11 143.083 -137.11 272.672 -57.7168 143.083 -57.7183 -268.401 GPRESSURE: 4233400 55.369 -176.553 110.654 -20.035 314.78 -84.1974 208.447 -134.255 -287.031 PRESSAVG: 4233400 9.16256 -13.8479 17.1425 -13.848 -29.0232 -35.2237 17.1425 -35.2238 2.44283 GPRESSAVG: 4233400 9.4152 -15.9252 17.0837 -11.4402 -28.0494 -35.2453 17.3862 -36.0323 1.01468 TIMING: 4233400 CPU: 13694.7, 0.00316579/step Wall: 13694.7, 0.00316579/step, 0.674138 hours remaining, 236.082031 MB of memory in use. ENERGY: 4233400 3954.4671 20465.5378 14442.9671 261.0785 -202854.2705 2223.6519 0.0000 0.0000 52149.7855 -109356.7825 299.7055 -161506.5681 -108991.8540 299.8240 -5.3916 27.7061 760979.8326 -5.8059 -5.8732 PRESSURE: 4233600 133.259 -218.606 -30.1372 -218.606 -127.636 -228.119 -30.1374 -228.119 -86.6373 GPRESSURE: 4233600 46.9594 -151.435 7.23296 -213.266 -76.9722 -241.883 -81.2368 -94.9307 48.6715 PRESSAVG: 4233600 -35.8682 -79.5457 10.2088 -79.5456 -18.7191 23.6463 10.2088 23.6462 -12.4156 GPRESSAVG: 4233600 -36.3509 -77.5993 11.2114 -80.2307 -19.0089 23.0231 10.6489 24.1474 -11.6015 TIMING: 4233600 CPU: 13695.3, 0.00315753/step Wall: 13695.3, 0.00315753/step, 0.672203 hours remaining, 236.082031 MB of memory in use. ENERGY: 4233600 3927.4697 20630.1638 14396.1989 254.6278 -203166.0189 2470.7298 0.0000 0.0000 52001.9669 -109484.8620 298.8560 -161486.8289 -109127.1276 299.2168 -27.0046 6.2196 761456.8606 -22.3343 -22.3204 PRESSURE: 4233800 217.641 -175.521 -13.7397 -175.521 -68.4696 279.834 -13.739 279.835 6.21921 GPRESSURE: 4233800 227.148 -96.2332 -51.9616 -203.431 -41.5454 309.533 -68.9773 363.196 56.8695 PRESSAVG: 4233800 53.274 -87.2318 -18.1599 -87.2319 -3.66091 28.5922 -18.1599 28.5923 12.6049 GPRESSAVG: 4233800 54.6484 -86.7877 -19.2342 -86.7362 -3.03944 28.6979 -18.9304 28.8957 10.9943 TIMING: 4233800 CPU: 13696, 0.00314823/step Wall: 13696, 0.00314823/step, 0.670048 hours remaining, 236.082031 MB of memory in use. ENERGY: 4233800 4021.3993 20514.0357 14456.0250 259.5431 -203384.4700 2643.8156 0.0000 0.0000 51740.2549 -109749.3964 297.3520 -161489.6513 -109395.1975 298.7132 51.7969 80.8239 760357.9860 20.7393 20.8678 PRESSURE: 4234000 -94.8299 -179.019 -169.016 -179.02 -55.6982 392.527 -169.016 392.527 134.694 GPRESSURE: 4234000 -60.9961 -101.989 -242.889 -225.695 44.2696 483.964 -134.324 298.943 87.2431 PRESSAVG: 4234000 19.5157 -18.47 -32.5461 -18.47 -47.2271 28.7308 -32.546 28.7308 -6.86517 GPRESSAVG: 4234000 17.6599 -20.6343 -34.6771 -18.2277 -45.6917 28.3311 -31.7397 28.1195 -6.54664 TIMING: 4234000 CPU: 13696.6, 0.00315006/step Wall: 13696.6, 0.00315006/step, 0.670263 hours remaining, 236.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4234000 3883.7661 20534.3848 14446.0566 238.8735 -203584.1748 2597.6540 0.0000 0.0000 52232.4752 -109650.9647 300.1808 -161883.4399 -109289.9556 298.7062 -5.2781 23.5055 762332.2264 -11.5255 -11.5262 PRESSURE: 4234200 -207.679 79.2943 -27.7821 79.2939 -77.1186 -221.927 -27.7819 -221.927 -388.898 GPRESSURE: 4234200 -61.7305 107.569 -61.5248 137.617 -147.005 -248.945 -30.3085 -271.03 -372.049 PRESSAVG: 4234200 64.2764 -71.8347 -9.39634 -71.8347 -88.3773 -42.8924 -9.39632 -42.8923 -3.20819 GPRESSAVG: 4234200 66.2085 -72.4255 -7.17123 -73.1187 -90.7659 -41.9407 -10.344 -43.5616 -2.2606 TIMING: 4234200 CPU: 13697.2, 0.00314335/step Wall: 13697.2, 0.00314335/step, 0.66866 hours remaining, 236.082031 MB of memory in use. ENERGY: 4234200 3989.5217 20344.0952 14422.7084 260.6128 -203347.3806 2561.3777 0.0000 0.0000 52004.7089 -109764.3558 298.8718 -161769.0647 -109395.5084 299.1598 -224.5651 -193.5951 762880.5426 -9.1030 -8.9394 PRESSURE: 4234400 -388.216 91.7873 124.459 91.7876 -253.836 -219.596 124.459 -219.596 18.2753 GPRESSURE: 4234400 -372.988 50.628 64.5324 -13.4785 -166.725 -228.685 153.246 -49.2025 8.18389 PRESSAVG: 4234400 6.9389 -12.0952 11.3336 -12.0952 -9.6631 32.7473 11.3335 32.7473 25.1212 GPRESSAVG: 4234400 6.08324 -12.1512 11.0099 -11.7621 -8.36137 32.695 12.8918 33.1277 24.823 TIMING: 4234400 CPU: 13697.8, 0.00313258/step Wall: 13697.8, 0.00313258/step, 0.666196 hours remaining, 236.082031 MB of memory in use. ENERGY: 4234400 3967.0511 20547.3531 14454.6513 231.2936 -203255.8743 2453.5479 0.0000 0.0000 52033.7476 -109568.2296 299.0387 -161601.9772 -109207.7106 299.3072 -207.9255 -177.1763 763593.3680 7.4657 7.5150 PRESSURE: 4234600 -22.9176 26.3912 -167.015 26.3909 184.535 40.6131 -167.014 40.6124 297.459 GPRESSURE: 4234600 35.3592 1.35543 -190.731 57.6837 239.092 42.1463 -83.7126 67.8154 273.68 PRESSAVG: 4234600 37.3079 -49.8373 -19.8112 -49.8373 -20.4404 -1.94228 -19.8113 -1.94229 -11.0656 GPRESSAVG: 4234600 36.3637 -48.4969 -20.2858 -51.4137 -20.1748 -2.13103 -19.1834 -1.85051 -10.5168 TIMING: 4234600 CPU: 13698.5, 0.003158/step Wall: 13698.5, 0.003158/step, 0.671426 hours remaining, 236.082031 MB of memory in use. ENERGY: 4234600 3976.1537 20410.4819 14346.2633 256.1617 -203244.1368 2659.0504 0.0000 0.0000 51993.1316 -109602.8942 298.8052 -161596.0258 -109235.3089 299.3748 153.0255 182.7103 762693.2617 1.9340 1.8907 PRESSURE: 4234800 11.2954 -40.8087 -5.38953 -40.8092 42.1314 90.1367 -5.39053 90.1383 39.0701 GPRESSURE: 4234800 122.501 22.6041 11.0927 -90.1729 7.2393 90.3561 -25.354 45.9965 39.3571 PRESSAVG: 4234800 1.58257 -28.6188 4.21256 -28.6188 -16.5355 38.3376 4.21255 38.3376 -20.7837 GPRESSAVG: 4234800 2.14567 -27.9049 6.22037 -26.9463 -16.143 38.5142 1.43546 38.3401 -21.8384 TIMING: 4234800 CPU: 13699.1, 0.00313688/step Wall: 13699.1, 0.00313688/step, 0.666761 hours remaining, 236.082031 MB of memory in use. ENERGY: 4234800 3952.9319 20427.2476 14430.4116 262.5559 -203495.9593 2642.2192 0.0000 0.0000 52119.9350 -109660.6581 299.5340 -161780.5931 -109304.5212 298.7682 30.8323 56.3659 760589.4423 -11.9122 -11.9452 PRESSURE: 4235000 -254.978 -165.892 -125.298 -165.891 -264.164 -18.7785 -125.298 -18.7791 151.235 GPRESSURE: 4235000 -221.688 -59.1649 -110.214 -75.764 -174.182 -47.6666 -152.544 -56.4534 117.102 PRESSAVG: 4235000 57.7018 1.66281 -31.7266 1.66291 -29.2222 -17.9929 -31.7267 -17.9928 1.4347 GPRESSAVG: 4235000 56.1868 0.300917 -31.8349 2.43686 -28.6504 -19.2381 -29.5099 -17.0133 2.13439 TIMING: 4235000 CPU: 13699.7, 0.00316026/step Wall: 13699.7, 0.00316026/step, 0.671556 hours remaining, 236.082031 MB of memory in use. ENERGY: 4235000 4007.9304 20247.8172 14488.5754 258.2537 -203565.2487 2573.4062 0.0000 0.0000 52061.6911 -109927.5746 299.1993 -161989.2657 -109563.1516 299.2466 -122.6359 -92.9229 759843.0299 9.9714 9.8903 PRESSURE: 4235200 173.891 -0.866765 -3.03385 -0.86658 -42.7049 -103.164 -3.03341 -103.164 195.262 GPRESSURE: 4235200 226.867 0.329706 -31.6823 36.5521 48.1768 -85.8231 -68.9634 17.7106 109.213 PRESSAVG: 4235200 -4.69159 45.2448 13.8871 45.2448 -16.145 -11.616 13.8871 -11.616 -3.11247 GPRESSAVG: 4235200 -3.59415 47.1419 14.2248 43.4518 -16.8169 -10.827 10.4364 -11.164 -2.57319 TIMING: 4235200 CPU: 13700.4, 0.00316146/step Wall: 13700.4, 0.00316146/step, 0.671634 hours remaining, 236.082031 MB of memory in use. ENERGY: 4235200 3988.0472 20219.7176 14487.8015 253.0742 -203843.6747 2753.1364 0.0000 0.0000 52329.0402 -109812.8576 300.7357 -162141.8977 -109446.8543 298.2850 108.8161 128.0853 760398.9892 -7.9830 -7.6614 PRESSURE: 4235400 47.588 254.351 -124.484 254.351 152.547 -5.16291 -124.484 -5.16329 80.8941 GPRESSURE: 4235400 50.9324 286.749 -138.046 172.226 122.734 -14.9028 -118.881 -91.6638 191.737 PRESSAVG: 4235400 2.17311 10.8641 -40.5158 10.8642 13.2278 -75.1336 -40.5158 -75.1336 0.464993 GPRESSAVG: 4235400 2.85483 9.63668 -41.2236 11.2029 12.9239 -76.0138 -38.9751 -75.0538 -0.114139 TIMING: 4235400 CPU: 13701, 0.00313522/step Wall: 13701, 0.00313522/step, 0.665885 hours remaining, 236.207031 MB of memory in use. ENERGY: 4235400 3987.7049 20442.5184 14565.6262 258.6510 -203895.8439 2912.4308 0.0000 0.0000 51799.5468 -109929.3658 297.6927 -161728.9126 -109578.4012 298.5656 93.6764 121.8011 761091.2853 5.2886 5.2215 PRESSURE: 4235600 13.9522 -57.7445 124.212 -57.7446 83.5725 96.5712 124.213 96.5705 -91.8046 GPRESSURE: 4235600 61.1983 -113.833 187.974 81.9829 60.8618 127.519 33.3958 -0.187171 -31.7318 PRESSAVG: 4235600 42.7354 -47.0695 -33.8888 -47.0695 -23.9129 -45.4997 -33.8887 -45.4998 0.504499 GPRESSAVG: 4235600 43.5732 -46.4855 -34.1103 -48.9937 -25.2903 -45.2516 -33.8189 -45.1594 1.84292 TIMING: 4235600 CPU: 13701.6, 0.0031367/step Wall: 13701.6, 0.0031367/step, 0.666025 hours remaining, 236.207031 MB of memory in use. ENERGY: 4235600 4043.9512 20464.0100 14467.0037 225.0764 -203672.3175 2659.8746 0.0000 0.0000 51942.9835 -109869.4180 298.5170 -161812.4015 -109517.0658 298.7918 1.9067 30.1094 761110.1245 6.4423 6.7086 PRESSURE: 4235800 4.85995 -76.7015 -100.042 -76.7008 -228.171 -7.32218 -100.042 -7.32266 -256.269 GPRESSURE: 4235800 -35.288 -61.1506 -147.541 -99.6921 -111.751 4.02068 -149.053 -102.684 -255.439 PRESSAVG: 4235800 44.073 -16.0428 -4.90758 -16.0428 -17.0059 13.9169 -4.90757 13.9169 2.90424 GPRESSAVG: 4235800 43.3474 -16.5956 -4.62073 -12.7865 -15.992 13.7676 -4.49608 12.1113 2.45045 TIMING: 4235800 CPU: 13702.2, 0.00314392/step Wall: 13702.2, 0.00314392/step, 0.667384 hours remaining, 236.207031 MB of memory in use. ENERGY: 4235800 4032.0108 20347.0207 14521.3559 263.4299 -203253.1824 2346.8562 0.0000 0.0000 51948.0404 -109794.4685 298.5461 -161742.5089 -109429.6795 299.1410 -159.8601 -134.1592 762065.0119 9.9904 9.9353 PRESSURE: 4236000 27.2585 243.953 81.3523 243.953 -90.0353 -204.455 81.3525 -204.455 143.542 GPRESSURE: 4236000 46.5916 230.624 18.0543 185.815 -29.2184 -308.855 207.719 -117.799 131.347 PRESSAVG: 4236000 26.3622 -23.1415 -14.9525 -23.1416 -53.3557 1.87222 -14.9526 1.87224 -17.911 GPRESSAVG: 4236000 26.4698 -24.69 -16.9369 -24.7028 -53.442 2.17581 -15.0111 2.27106 -18.4853 TIMING: 4236000 CPU: 13702.9, 0.00315406/step Wall: 13702.9, 0.00315406/step, 0.669361 hours remaining, 236.207031 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: 4236000 4027.0661 20510.3522 14448.7861 247.0939 -203569.2573 2779.1562 0.0000 0.0000 51778.8360 -109777.9668 297.5737 -161556.8028 -109415.3720 298.3993 26.9217 49.5734 762441.9262 -14.9682 -15.1525 PRESSURE: 4236200 -12.2493 -108.471 89.421 -108.47 -204.395 120.907 89.4212 120.908 -454.249 GPRESSURE: 4236200 21.6213 -44.3989 51.8076 -44.9021 -157.849 70.8828 213.54 74.1277 -439.675 PRESSAVG: 4236200 1.61599 -15.3294 -4.36261 -15.3294 -7.13546 11.5517 -4.36259 11.5517 4.31777 GPRESSAVG: 4236200 1.28091 -15.4496 -2.32884 -14.5689 -7.18356 10.8369 -4.76021 11.5518 4.52004 TIMING: 4236200 CPU: 13703.5, 0.00312036/step Wall: 13703.5, 0.00312036/step, 0.662036 hours remaining, 236.207031 MB of memory in use. ENERGY: 4236200 4004.5819 20359.0612 14428.6755 251.8404 -203744.2087 2716.8993 0.0000 0.0000 52032.3285 -109950.8220 299.0305 -161983.1504 -109582.9284 298.2581 -223.6311 -191.9677 762468.6034 -0.4006 -0.4609 LDB: ============= START OF LOAD BALANCING ============== 13715.9 LDB: ============== END OF LOAD BALANCING =============== 13715.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13715.9 LDB: ============= START OF LOAD BALANCING ============== 13716.2 LDB: Largest compute 7059 load 0.032201 is 16.5% of average load 0.195578 LDB: Average compute 0.004425 is 2.3% of average load 0.195578 LDB: TIME 13716.2 LOAD: AVG 0.195578 MAX 0.215227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.098 MB LDB: TIME 13716.2 LOAD: AVG 0.195578 MAX 0.215227 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 13716.2 LOAD: AVG 0.195578 MAX 0.215227 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 13716.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13716.2 PRESSURE: 4236400 -4.07078 -226.418 -224.347 -226.417 -385.521 114.356 -224.348 114.356 -150.702 GPRESSURE: 4236400 -68.9541 -172.896 -224.652 -196.667 -275.519 98.3774 -180.293 71.7087 -90.2391 PRESSAVG: 4236400 37.156 -69.8089 52.4648 -69.8089 -6.85541 32.0039 52.4648 32.0038 11.2494 GPRESSAVG: 4236400 36.9157 -67.1215 50.9658 -69.2925 -6.53793 32.754 55.5786 32.2783 11.5492 TIMING: 4236400 CPU: 13704.1, 0.00320861/step Wall: 13704.1, 0.00320861/step, 0.680582 hours remaining, 235.394531 MB of memory in use. ENERGY: 4236400 4000.3718 20359.9887 14502.8165 239.7732 -203327.4110 2664.7240 0.0000 0.0000 51910.5188 -109649.2179 298.3305 -161559.7367 -109291.6737 298.4841 -180.0981 -144.9040 761762.2550 13.8500 13.9757 PRESSURE: 4236600 -368.157 4.73885 87.1375 4.73822 -251.343 -187.712 87.1369 -187.711 47.7819 GPRESSURE: 4236600 -299.66 -18.8452 81.2378 2.74583 -301.848 -236.22 201.164 -76.9535 113.258 PRESSAVG: 4236600 -10.6717 -41.6895 38.8918 -41.6895 -6.34407 5.45895 38.8918 5.45891 17.2311 GPRESSAVG: 4236600 -10.086 -44.3358 40.0019 -43.9278 -6.12696 6.41895 37.7739 5.09254 16.1375 TIMING: 4236600 CPU: 13704.8, 0.00315293/step Wall: 13704.8, 0.00315293/step, 0.668597 hours remaining, 235.589844 MB of memory in use. ENERGY: 4236600 3937.8610 20578.0849 14442.0434 244.0317 -203274.3601 2546.8199 0.0000 0.0000 51810.3262 -109715.1930 297.7547 -161525.5192 -109355.7477 298.9028 -190.5726 -162.7501 762008.3871 0.0718 -0.0252 PRESSURE: 4236800 -60.8163 1.72198 101.767 1.72201 392.197 16.1607 101.767 16.1613 -177.597 GPRESSURE: 4236800 6.50197 29.2653 65.4471 20.4343 403.433 76.673 58.0872 79.95 -175.005 PRESSAVG: 4236800 7.97325 21.754 35.6774 21.7539 -11.6698 35.1862 35.6773 35.1861 6.89665 GPRESSAVG: 4236800 8.21797 23.8963 35.8487 23.6565 -11.8206 34.1588 34.5266 35.6776 6.95494 TIMING: 4236800 CPU: 13705.4, 0.00315012/step Wall: 13705.4, 0.00315012/step, 0.667826 hours remaining, 235.792969 MB of memory in use. ENERGY: 4236800 3975.1206 20600.2409 14474.1842 232.4804 -203600.7166 2766.4828 0.0000 0.0000 51960.8614 -109591.3465 298.6198 -161552.2078 -109231.6422 298.8925 51.2611 78.3100 759375.5543 1.0667 1.1175 PRESSURE: 4237000 85.2394 -32.9596 -133.263 -32.9594 -306.443 -198.515 -133.263 -198.515 -271.015 GPRESSURE: 4237000 19.1667 -102.146 -40.3242 16.3923 -193.795 -263.477 -81.4635 -75.1971 -215.115 PRESSAVG: 4237000 -12.3818 -23.769 29.9841 -23.769 35.6359 -15.8082 29.9841 -15.8082 -27.8751 GPRESSAVG: 4237000 -13.3474 -24.5642 30.3436 -24.534 35.5797 -16.1817 29.4392 -15.1441 -26.6486 TIMING: 4237000 CPU: 13706, 0.00313808/step Wall: 13706, 0.00313808/step, 0.665098 hours remaining, 235.792969 MB of memory in use. ENERGY: 4237000 3915.1632 20573.6207 14512.5055 247.9623 -203467.9057 2549.3299 0.0000 0.0000 52087.3749 -109581.9493 299.3469 -161669.3241 -109226.9445 299.1166 -164.0729 -129.9144 760867.3611 -1.5403 -1.4721 PRESSURE: 4237200 93.901 161.209 158.602 161.208 -142.549 -96.3162 158.601 -96.3165 -12.3096 GPRESSURE: 4237200 154.94 -4.19641 176.43 142.603 -168.814 -33.2632 208.458 74.5727 60.0733 PRESSAVG: 4237200 12.9407 -1.6254 19.2353 -1.62536 -10.727 -9.97164 19.2352 -9.97158 2.98201 GPRESSAVG: 4237200 13.5633 -1.58919 18.3495 -3.98919 -11.2202 -10.7234 18.0943 -9.4933 2.66954 TIMING: 4237200 CPU: 13706.7, 0.00313327/step Wall: 13706.7, 0.00313327/step, 0.663904 hours remaining, 235.792969 MB of memory in use. ENERGY: 4237200 3995.9102 20349.0512 14548.5506 221.9469 -203174.6697 2307.9914 0.0000 0.0000 52152.4161 -109598.8032 299.7207 -161751.2193 -109227.3577 298.7226 -20.3190 15.3997 760742.5527 1.7319 1.6709 PRESSURE: 4237400 -112.172 -9.76914 134.211 -9.76955 -306.172 -53.5971 134.212 -53.5972 -34.9318 GPRESSURE: 4237400 -124.816 18.0523 94.5588 13.6389 -177.544 -23.2259 259.558 -21.3083 -83.4983 PRESSAVG: 4237400 8.17079 10.2044 35.4603 10.2044 -39.5145 -25.1948 35.4603 -25.1949 3.53937 GPRESSAVG: 4237400 9.23973 10.9825 36.1889 12.2824 -39.4572 -23.9576 36.2315 -25.875 2.51201 TIMING: 4237400 CPU: 13707.3, 0.00313906/step Wall: 13707.3, 0.00313906/step, 0.664957 hours remaining, 235.792969 MB of memory in use. ENERGY: 4237400 3984.4905 20519.5305 14595.8327 234.4654 -203479.1448 2518.5597 0.0000 0.0000 52042.1712 -109584.0949 299.0871 -161626.2660 -109224.5214 299.1304 -151.0920 -128.6195 760078.6194 -9.2681 -9.2351 PRESSURE: 4237600 59.8322 -157.857 102.888 -157.856 153.332 -127.325 102.888 -127.325 187.797 GPRESSURE: 4237600 195.629 -266.645 24.5694 -35.0521 188.878 -79.2215 99.8518 -152.186 129.532 PRESSAVG: 4237600 21.3273 -37.6704 4.33167 -37.6703 -10.5053 -13.1986 4.33162 -13.1986 -14.8484 GPRESSAVG: 4237600 22.0501 -39.4145 2.3375 -36.1534 -10.9824 -12.8416 7.25489 -16.6415 -14.8107 TIMING: 4237600 CPU: 13707.9, 0.00313763/step Wall: 13707.9, 0.00313763/step, 0.664481 hours remaining, 235.792969 MB of memory in use. ENERGY: 4237600 3966.5554 20427.4806 14530.5901 256.0308 -203590.7309 2629.0258 0.0000 0.0000 51995.2184 -109785.8299 298.8172 -161781.0483 -109434.3726 298.5446 133.6535 171.3462 760073.8376 -1.3421 -1.2477 PRESSURE: 4237800 266.839 -80.7839 278.836 -80.7842 95.0705 -5.31395 278.836 -5.31362 83.7785 GPRESSURE: 4237800 292.535 18.8614 203.836 -91.8679 130.324 -27.2904 415.484 67.2109 110.051 PRESSAVG: 4237800 3.44856 30.5702 12.7534 30.5702 21.8228 5.59912 12.7535 5.59911 13.1312 GPRESSAVG: 4237800 3.16979 31.6867 14.5748 28.7558 22.603 5.422 8.924 7.86625 12.8834 TIMING: 4237800 CPU: 13708.5, 0.00314863/step Wall: 13708.5, 0.00314863/step, 0.666634 hours remaining, 235.792969 MB of memory in use. ENERGY: 4237800 3933.7668 20373.6404 14538.9252 254.5397 -203475.7406 2650.7890 0.0000 0.0000 52035.1712 -109688.9083 299.0468 -161724.0795 -109332.1602 298.4181 148.5628 177.6363 759872.3225 12.8009 12.8854 PRESSURE: 4238000 -132.782 -231.417 173.062 -231.417 -282.915 -137.979 173.062 -137.98 -341.632 GPRESSURE: 4238000 -173.881 -179.436 102.578 -253.637 -177.807 -210.078 228.084 -75.2803 -345.788 PRESSAVG: 4238000 22.1223 -2.94728 -42.7456 -2.94726 13.6915 -49.9059 -42.7456 -49.9058 33.0165 GPRESSAVG: 4238000 22.4004 -1.93871 -43.0433 -2.88272 13.2438 -49.9828 -41.1594 -50.0931 32.919 TIMING: 4238000 CPU: 13709.2, 0.00313867/step Wall: 13709.2, 0.00313867/step, 0.664352 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4238000 3961.3661 20566.5499 14518.2621 238.0097 -203414.7594 2539.6913 0.0000 0.0000 51985.0444 -109605.8359 298.7588 -161590.8803 -109254.7736 298.7650 -252.4430 -232.4919 759994.8914 22.9434 22.8544 PRESSURE: 4238200 239.357 60.0478 -13.3032 60.0478 308.718 -28.308 -13.3026 -28.3074 -252.188 GPRESSURE: 4238200 302.235 25.0172 -43.468 -12.1289 254.359 -105.728 10.0014 80.5583 -170.644 PRESSAVG: 4238200 -2.15021 -48.951 -34.0036 -48.951 -22.5057 -23.8684 -34.0035 -23.8684 -28.7597 GPRESSAVG: 4238200 -1.68765 -48.9792 -33.8066 -50.3093 -22.9942 -24.7438 -33.7901 -23.0756 -28.1857 TIMING: 4238200 CPU: 13709.8, 0.0031473/step Wall: 13709.8, 0.0031473/step, 0.666003 hours remaining, 235.792969 MB of memory in use. ENERGY: 4238200 3940.3944 20519.1119 14561.7075 260.2313 -203568.2716 2638.6518 0.0000 0.0000 52101.7218 -109546.4529 299.4293 -161648.1747 -109183.5120 299.3301 98.6290 128.6502 760764.2654 -17.8052 -17.6225 PRESSURE: 4238400 245.559 -120.908 199.348 -120.909 -168.897 149.128 199.348 149.127 169.528 GPRESSURE: 4238400 244.197 -191.986 173.988 -131.574 -66.8249 177.554 169.921 184.203 146.461 PRESSAVG: 4238400 2.55448 -23.9422 -2.54198 -23.9423 19.3656 -8.9468 -2.54195 -8.94672 19.0161 GPRESSAVG: 4238400 2.00728 -24.8931 -1.59503 -23.1818 21.6477 -7.13163 -2.27882 -9.28208 17.5547 TIMING: 4238400 CPU: 13710.4, 0.00314676/step Wall: 13710.4, 0.00314676/step, 0.665715 hours remaining, 235.792969 MB of memory in use. ENERGY: 4238400 3850.8871 20366.0051 14498.2953 231.0606 -202842.1977 2295.5031 0.0000 0.0000 52228.9184 -109371.5281 300.1603 -161600.4465 -109002.3444 299.0478 82.0632 107.9446 761948.3037 13.6454 13.7365 PRESSURE: 4238600 -223.577 125.745 -31.5293 125.745 -53.4417 150.339 -31.5291 150.339 372.965 GPRESSURE: 4238600 -266.609 122.505 -4.81725 79.6214 -8.46104 110.901 -17.2612 303.065 439.725 PRESSAVG: 4238600 -6.20872 -17.3015 -23.3418 -17.3015 34.6013 -8.03684 -23.3418 -8.03679 21.7706 GPRESSAVG: 4238600 -6.46322 -19.7268 -23.5736 -18.1817 32.4468 -8.93776 -25.9162 -8.10357 23.7339 TIMING: 4238600 CPU: 13711.1, 0.00313524/step Wall: 13711.1, 0.00313524/step, 0.663103 hours remaining, 235.792969 MB of memory in use. ENERGY: 4238600 3953.4015 20483.4877 14569.0641 257.7168 -203268.7903 2583.1441 0.0000 0.0000 52118.5289 -109303.4471 299.5259 -161421.9760 -108944.5237 299.5334 31.9822 54.8848 762715.6311 16.7211 16.5725 PRESSURE: 4238800 -30.7826 -23.6609 77.0242 -23.6609 -175.682 47.4715 77.0237 47.4717 210.757 GPRESSURE: 4238800 28.7338 -23.0226 88.4826 -33.558 -172.218 39.4314 124.734 -117.69 250.942 PRESSAVG: 4238800 40.6972 -45.6351 21.1973 -45.6351 -32.7106 1.19786 21.1973 1.19788 -16.3355 GPRESSAVG: 4238800 41.0633 -39.6233 23.3153 -45.7841 -32.5032 2.84428 21.5711 -1.91295 -17.4174 TIMING: 4238800 CPU: 13711.7, 0.00313189/step Wall: 13711.7, 0.00313189/step, 0.662221 hours remaining, 235.792969 MB of memory in use. ENERGY: 4238800 4013.5548 20404.8652 14544.6663 240.0055 -203249.4848 2609.8410 0.0000 0.0000 52059.0511 -109377.5009 299.1841 -161436.5520 -109029.0629 299.5077 1.4309 35.8195 762539.2451 -2.7830 -2.9525 PRESSURE: 4239000 -162.921 -101.824 -71.8758 -101.823 299.367 -81.8115 -71.8756 -81.8121 292.4 GPRESSURE: 4239000 -37.9455 -86.6173 -22.3631 -76.8192 274.006 -50.6023 -133.39 -20.3186 281.713 PRESSAVG: 4239000 -0.714939 -32.0703 -35.9194 -32.0702 -32.844 -7.60149 -35.9194 -7.60153 2.54587 GPRESSAVG: 4239000 0.0782992 -36.0781 -38.1904 -31.8954 -31.8446 -9.67482 -33.639 -5.10517 1.46073 TIMING: 4239000 CPU: 13712.3, 0.0031282/step Wall: 13712.3, 0.0031282/step, 0.661267 hours remaining, 235.792969 MB of memory in use. ENERGY: 4239000 3968.5796 20421.4613 14490.4946 245.9748 -203606.4328 2756.1422 0.0000 0.0000 52272.3511 -109451.4292 300.4099 -161723.7803 -109074.4066 299.4074 142.9487 172.5911 759563.4046 -10.3377 -10.1019 PRESSURE: 4239200 -161.769 124.785 -8.19108 124.785 -181.255 19.8573 -8.1904 19.8582 -64.4521 GPRESSURE: 4239200 -136.025 38.5588 63.5401 113.4 -155.637 23.7873 27.5271 66.0971 -43.9185 PRESSAVG: 4239200 -1.43785 2.11847 2.56911 2.11849 14.8773 -41.4749 2.56912 -41.4749 7.93947 GPRESSAVG: 4239200 -1.31386 3.24079 2.15304 2.8598 13.9556 -40.3842 2.54046 -42.429 9.29808 TIMING: 4239200 CPU: 13712.9, 0.00314916/step Wall: 13712.9, 0.00314916/step, 0.665523 hours remaining, 235.792969 MB of memory in use. ENERGY: 4239200 4018.0979 20494.4416 14528.4744 218.9398 -203311.2746 2387.5589 0.0000 0.0000 52013.4473 -109650.3146 298.9220 -161663.7619 -109285.5049 299.4260 -135.8255 -111.8600 760680.3576 7.1263 7.3133 PRESSURE: 4239400 -336.522 183.156 68.03 183.157 -217.314 96.5924 68.0297 96.5938 131.093 GPRESSURE: 4239400 -273.927 274.387 126.503 122.561 -179.395 133.279 -46.8491 -13.1446 112.626 PRESSAVG: 4239400 7.12494 24.6491 47.5917 24.649 10.4217 -70.0183 47.5918 -70.0183 -10.4492 GPRESSAVG: 4239400 5.94357 25.4358 47.6698 22.8625 11.3767 -69.6693 45.6998 -72.12 -10.5284 TIMING: 4239400 CPU: 13713.6, 0.0031459/step Wall: 13713.6, 0.0031459/step, 0.664659 hours remaining, 235.792969 MB of memory in use. ENERGY: 4239400 3931.0896 20537.1046 14500.6660 268.4508 -203254.1418 2306.8430 0.0000 0.0000 52281.2188 -109428.7689 300.4609 -161709.9877 -109058.5566 299.3488 -140.9144 -113.5651 760065.4742 2.3658 2.2639 PRESSURE: 4239600 -361.003 -197.762 156.307 -197.762 -217.757 125.022 156.307 125.022 -46.1024 GPRESSURE: 4239600 -333.244 -166.768 172.575 -199.209 -206.948 138.227 110.605 113.568 12.2891 PRESSAVG: 4239600 14.3246 10.0676 48.9208 10.0675 -20.6968 -33.6003 48.9208 -33.6002 -31.7979 GPRESSAVG: 4239600 14.7623 8.81496 48.0552 11.5947 -20.1972 -35.1036 49.5462 -31.9508 -32.5453 TIMING: 4239600 CPU: 13714.2, 0.00314666/step Wall: 13714.2, 0.00314666/step, 0.664645 hours remaining, 235.792969 MB of memory in use. ENERGY: 4239600 4028.5410 20507.9496 14600.4115 266.1363 -203064.2962 2323.5802 0.0000 0.0000 52036.0098 -109301.6678 299.0517 -161337.6777 -108940.6771 299.6436 -208.2876 -175.9678 762144.2703 -12.7234 -12.6600 PRESSURE: 4239800 -277.373 -89.3714 85.6483 -89.3708 -1.33182 -75.0632 85.6485 -75.0635 66.6398 GPRESSURE: 4239800 -353.311 28.2973 21.7009 -20.1172 101.719 -70.9839 26.8819 -13.6153 113.972 PRESSAVG: 4239800 -24.8828 -32.7263 24.7495 -32.7263 8.67131 -17.7953 24.7495 -17.7952 -15.6321 GPRESSAVG: 4239800 -24.7229 -32.6497 24.9813 -31.4907 8.91024 -17.4519 25.8519 -17.8543 -15.3885 TIMING: 4239800 CPU: 13714.8, 0.00313577/step Wall: 13714.8, 0.00313577/step, 0.66217 hours remaining, 235.792969 MB of memory in use. ENERGY: 4239800 3947.6821 20568.7189 14557.4882 256.0687 -203298.8165 2414.7217 0.0000 0.0000 52039.1255 -109515.0114 299.0696 -161554.1369 -109148.3426 299.1683 -70.6882 -45.8732 761233.9096 -10.6145 -10.4004 PRESSURE: 4240000 -239.318 -47.5636 11.4798 -47.5633 -164.881 -233.518 11.4796 -233.516 -54.4188 GPRESSURE: 4240000 -157.942 -91.7307 12.0484 -106.513 -159.525 -159.789 -56.418 -299.273 -38.791 PRESSAVG: 4240000 -11.9698 -23.2986 56.4275 -23.2987 38.4163 -63.3477 56.4276 -63.3477 13.9625 GPRESSAVG: 4240000 -12.407 -23.3871 57.5502 -21.795 38.2412 -62.3561 54.5695 -63.3107 14.2895 TIMING: 4240000 CPU: 13715.5, 0.00314048/step Wall: 13715.5, 0.00314048/step, 0.66299 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4240000 4003.3072 20446.7203 14464.5700 241.7679 -203310.3381 2443.1374 0.0000 0.0000 52130.5670 -109580.2683 299.5951 -161710.8352 -109219.1639 299.5027 -152.8723 -118.7526 762259.7907 13.4697 13.3745 PRESSURE: 4240200 -106.935 150.756 82.0062 150.757 -37.6296 142.631 82.0063 142.631 34.3741 GPRESSURE: 4240200 14.4107 267.342 78.4453 163.191 -0.818993 146.08 -10.6856 27.2914 -44.2358 PRESSAVG: 4240200 -37.5498 -52.1468 -19.4007 -52.1467 -10.8448 -29.8584 -19.4007 -29.8585 -0.472108 GPRESSAVG: 4240200 -36.3068 -52.2416 -20.9552 -52.8097 -10.7859 -30.4424 -19.041 -28.3866 -1.66643 TIMING: 4240200 CPU: 13716.1, 0.00312176/step Wall: 13716.1, 0.00312176/step, 0.658865 hours remaining, 235.792969 MB of memory in use. ENERGY: 4240200 3928.9332 20533.5931 14579.2177 240.3757 -203677.2024 2520.5314 0.0000 0.0000 52289.1123 -109585.4389 300.5062 -161874.5512 -109220.0689 299.6423 -36.7302 -10.2147 761231.8955 -16.2889 -16.2530 LDB: ============= START OF LOAD BALANCING ============== 13728.5 LDB: ============== END OF LOAD BALANCING =============== 13728.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13728.5 LDB: ============= START OF LOAD BALANCING ============== 13728.8 LDB: Largest compute 7058 load 0.032991 is 16.9% of average load 0.195577 LDB: Average compute 0.004426 is 2.3% of average load 0.195577 LDB: TIME 13728.8 LOAD: AVG 0.195577 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.434 MB LDB: TIME 13728.8 LOAD: AVG 0.195577 MAX 0.214038 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: TIME 13728.8 LOAD: AVG 0.195577 MAX 0.214038 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: ============== END OF LOAD BALANCING =============== 13728.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13728.8 PRESSURE: 4240400 -84.11 -67.7288 -163.604 -67.7283 139.198 -73.104 -163.603 -73.1041 -138.415 GPRESSURE: 4240400 3.35175 -37.3474 -183.583 -69.8653 172.277 -60.0757 -122.552 -198.711 -172.464 PRESSAVG: 4240400 64.4086 27.6952 22.8493 27.6952 -3.42591 0.692187 22.8493 0.692262 -5.89955 GPRESSAVG: 4240400 63.5087 28.4752 23.535 25.7992 -3.2784 1.97055 24.6846 -1.63643 -4.6448 TIMING: 4240400 CPU: 13716.7, 0.00319846/step Wall: 13716.7, 0.00319846/step, 0.674875 hours remaining, 235.457031 MB of memory in use. ENERGY: 4240400 3984.4766 20705.9049 14540.1542 228.2864 -203463.7021 2603.0725 0.0000 0.0000 51939.7691 -109462.0386 298.4986 -161401.8077 -109110.2776 299.5925 -27.7760 1.0548 760253.2756 18.3610 18.5285 PRESSURE: 4240600 -238.345 -24.067 -36.4393 -24.0676 -266.871 -29.3945 -36.4391 -29.3944 -194.334 GPRESSURE: 4240600 -280.398 -0.573034 -89.0126 -10.7515 -215.688 -9.96112 69.7365 -7.96122 -124.306 PRESSAVG: 4240600 37.7506 -43.8293 1.80454 -43.8293 20.8824 -39.6553 1.80452 -39.6553 -9.08826 GPRESSAVG: 4240600 38.0463 -43.7692 0.953273 -44.4886 20.7449 -41.4402 2.15609 -35.8212 -8.53647 TIMING: 4240600 CPU: 13717.3, 0.00314073/step Wall: 13717.3, 0.00314073/step, 0.662519 hours remaining, 235.457031 MB of memory in use. ENERGY: 4240600 4029.0943 20628.3726 14422.1872 244.1305 -203050.7967 2313.4967 0.0000 0.0000 51828.0983 -109585.4171 297.8568 -161413.5154 -109225.6294 299.3636 -233.1831 -206.7974 762841.8632 16.5149 16.7516 PRESSURE: 4240800 23.6689 27.8925 -122.102 27.8929 303.778 183.305 -122.102 183.306 -374.27 GPRESSURE: 4240800 92.8456 -52.1977 -65.7442 46.8964 327.799 172.243 -127.107 190.061 -368.169 PRESSAVG: 4240800 41.0251 -60.3339 -3.61386 -60.3339 -63.6449 -96.0107 -3.61383 -96.0106 4.30026 GPRESSAVG: 4240800 41.0137 -58.9896 -2.90779 -61.7428 -63.171 -96.4351 -6.51438 -96.5478 3.57403 TIMING: 4240800 CPU: 13718, 0.00313223/step Wall: 13718, 0.00313223/step, 0.660552 hours remaining, 235.457031 MB of memory in use. ENERGY: 4240800 4089.4690 20387.3075 14527.3338 230.7103 -203291.0196 2477.0391 0.0000 0.0000 52185.9141 -109393.2459 299.9132 -161579.1599 -109022.8632 298.8479 -15.6079 17.4919 761843.9474 -6.1065 -6.1944 PRESSURE: 4241000 -209.564 79.9678 108.265 79.9678 -378.087 -20.5804 108.265 -20.5805 -482.536 GPRESSURE: 4241000 -169.757 11.0805 62.3637 -17.1788 -300.303 -46.0088 84.7122 -72.1703 -509.284 PRESSAVG: 4241000 14.3742 -4.28958 -26.1994 -4.28958 -27.8284 -28.2478 -26.1993 -28.2478 15.0766 GPRESSAVG: 4241000 13.8282 -6.44804 -26.2195 -2.69617 -26.846 -27.3863 -23.856 -30.6462 14.7455 TIMING: 4241000 CPU: 13718.6, 0.00312234/step Wall: 13718.6, 0.00312234/step, 0.658293 hours remaining, 235.714844 MB of memory in use. ENERGY: 4241000 3987.5350 20597.1718 14459.9782 263.1948 -203363.7095 2506.6913 0.0000 0.0000 52116.1195 -109433.0189 299.5121 -161549.1384 -109070.2754 299.5665 -356.7290 -326.4481 762327.0962 0.5408 0.5759 PRESSURE: 4241200 314.683 -267.802 -183.999 -267.802 32.1672 -12.9318 -183.999 -12.9326 -111.209 GPRESSURE: 4241200 308.325 -157.341 -190.988 -218.488 93.2043 21.1971 -178.753 24.6596 -67.2959 PRESSAVG: 4241200 44.1748 -49.9952 -29.5321 -49.9952 -29.1135 12.5639 -29.5321 12.5639 -16.1557 GPRESSAVG: 4241200 44.0877 -48.892 -28.4158 -52.2981 -29.9922 12.952 -30.9834 15.3938 -15.7666 TIMING: 4241200 CPU: 13719.2, 0.00312758/step Wall: 13719.2, 0.00312758/step, 0.659224 hours remaining, 235.714844 MB of memory in use. ENERGY: 4241200 4084.4288 20276.4228 14548.6560 244.4295 -203008.9748 2569.1066 0.0000 0.0000 51915.4197 -109370.5113 298.3586 -161285.9310 -109016.7220 299.2276 78.5469 111.4110 761700.4685 -0.3648 -0.5570 PRESSURE: 4241400 252.665 -9.51757 -140.624 -9.51745 -246.156 104.86 -140.624 104.861 82.3265 GPRESSURE: 4241400 202.678 -14.4167 -99.8172 81.7973 -116.404 94.9099 -105.792 169.292 81.1118 PRESSAVG: 4241400 28.9174 22.6085 -5.62335 22.6085 -43.56 -7.40672 -5.6234 -7.40668 2.2116 GPRESSAVG: 4241400 29.3338 22.5863 -5.21787 24.3971 -43.8356 -7.22554 -5.18249 -8.536 2.33638 TIMING: 4241400 CPU: 13719.8, 0.00313887/step Wall: 13719.8, 0.00313887/step, 0.661429 hours remaining, 235.714844 MB of memory in use. ENERGY: 4241400 4021.5568 20485.8686 14530.9467 244.8591 -203405.4700 2722.3735 0.0000 0.0000 52165.4298 -109234.4355 299.7954 -161399.8654 -108870.6672 299.8151 29.6119 55.7951 761707.7935 -4.1437 -4.0551 PRESSURE: 4241600 61.2401 -19.4976 122.593 -19.4973 -0.62356 -32.0407 122.594 -32.0418 139.903 GPRESSURE: 4241600 41.6437 -98.4627 185.371 14.4585 38.8633 -46.1944 96.5837 -0.898911 194.223 PRESSAVG: 4241600 -2.72877 10.7713 33.354 10.7714 -33.9049 3.98013 33.3541 3.98009 -4.89524 GPRESSAVG: 4241600 -3.45673 9.94804 32.7199 11.4119 -33.639 3.57291 32.4656 2.88412 -5.25213 TIMING: 4241600 CPU: 13720.5, 0.00310532/step Wall: 13720.5, 0.00310532/step, 0.654188 hours remaining, 235.714844 MB of memory in use. ENERGY: 4241600 3987.0013 20559.0971 14483.5451 244.3944 -203000.7602 2352.7452 0.0000 0.0000 52243.3149 -109130.6623 300.2430 -161373.9772 -108757.4244 299.9253 66.8398 91.5766 760716.6406 -13.8430 -14.1160 PRESSURE: 4241800 -231.192 -13.4087 -14.8191 -13.4086 -257.978 -44.09 -14.8191 -44.0897 388.892 GPRESSURE: 4241800 -245.351 66.9233 56.9246 -51.636 -104.434 -50.2794 4.02547 47.8942 355.589 PRESSAVG: 4241800 29.0731 -37.2356 16.9806 -37.2356 -47.2864 11.3157 16.9806 11.3157 13.0476 GPRESSAVG: 4241800 29.0057 -36.0689 18.1165 -39.58 -47.4239 10.2187 17.7072 12.3312 12.3839 TIMING: 4241800 CPU: 13721.1, 0.00312067/step Wall: 13721.1, 0.00312067/step, 0.657248 hours remaining, 235.714844 MB of memory in use. ENERGY: 4241800 3957.7503 20518.1997 14537.9890 246.9087 -203089.5608 2313.6274 0.0000 0.0000 52312.0582 -109203.0274 300.6381 -161515.0856 -108838.7641 299.6392 -33.4259 1.9345 760999.4739 -1.7219 -2.0114 PRESSURE: 4242000 138.47 162.322 77.2532 162.323 170.568 -91.1047 77.2534 -91.1057 137.154 GPRESSURE: 4242000 199.1 137.478 89.3193 252.689 152.908 -126.853 78.181 -50.09 180.357 PRESSAVG: 4242000 3.53201 -8.36437 -78.5117 -8.36437 -6.04076 -44.261 -78.5117 -44.2611 6.71682 GPRESSAVG: 4242000 3.59102 -9.89627 -79.712 -5.20025 -6.85074 -43.3121 -80.2125 -44.2522 8.10325 TIMING: 4242000 CPU: 13721.7, 0.00312904/step Wall: 13721.7, 0.00312904/step, 0.658836 hours remaining, 235.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4242000 4055.3205 20433.3674 14521.4957 240.0986 -203258.5741 2454.0842 0.0000 0.0000 51953.1011 -109601.1067 298.5752 -161554.2078 -109250.1367 299.4085 148.7306 177.4551 760242.5417 1.4027 1.6145 PRESSURE: 4242200 193.659 124.675 -177.376 124.675 154.549 -213.817 -177.376 -213.816 -234.353 GPRESSURE: 4242200 196.625 83.3237 -173.197 144.676 212.385 -168.092 -40.7777 -121.254 -200.468 PRESSAVG: 4242200 38.8965 -32.0564 -22.1644 -32.0564 -78.9612 -40.146 -22.1643 -40.146 -3.68876 GPRESSAVG: 4242200 40.0838 -31.8443 -21.5447 -32.2995 -78.3193 -40.2481 -20.4266 -38.4187 -4.79203 TIMING: 4242200 CPU: 13722.3, 0.00312173/step Wall: 13722.3, 0.00312173/step, 0.657123 hours remaining, 235.714844 MB of memory in use. ENERGY: 4242200 4096.3326 20425.8778 14538.6545 240.7903 -203627.6375 2584.2757 0.0000 0.0000 52104.5628 -109637.1438 299.4456 -161741.7067 -109279.9853 299.2804 37.9514 69.5142 759999.4878 -14.5845 -14.3425 PRESSURE: 4242400 -22.75 -5.93871 217.703 -5.938 -678.126 268.825 217.704 268.824 -72.2123 GPRESSURE: 4242400 -120.967 -75.1638 176.263 -122.576 -517.931 276.88 61.5105 360.881 -42.5414 PRESSAVG: 4242400 12.7092 -2.69269 -26.6643 -2.69271 15.3183 -17.2301 -26.6642 -17.2301 9.89507 GPRESSAVG: 4242400 12.7242 -2.87142 -28.0531 -1.96496 15.0933 -18.6959 -27.5032 -18.3139 10.5277 TIMING: 4242400 CPU: 13723, 0.00313726/step Wall: 13723, 0.00313726/step, 0.660219 hours remaining, 235.714844 MB of memory in use. ENERGY: 4242400 4029.3942 20482.1959 14461.7488 251.3132 -203404.3716 2484.1433 0.0000 0.0000 52108.2452 -109587.3310 299.4668 -161695.5762 -109219.0360 298.9653 -257.6962 -227.1464 760321.6145 12.6409 12.7817 PRESSURE: 4242600 24.707 -87.3933 -28.5751 -87.3938 143.812 66.885 -28.5749 66.8844 -225.528 GPRESSURE: 4242600 129.227 1.46192 -42.6399 -104.059 97.9838 17.7093 -52.3914 24.2304 -200.669 PRESSAVG: 4242600 30.4675 -64.3539 -26.8123 -64.3539 -26.7698 -52.2357 -26.8122 -52.2357 -5.07765 GPRESSAVG: 4242600 29.3511 -64.6732 -25.608 -66.4656 -26.4437 -51.3631 -29.2119 -52.7174 -4.25175 TIMING: 4242600 CPU: 13723.6, 0.00313721/step Wall: 13723.6, 0.00313721/step, 0.660035 hours remaining, 235.714844 MB of memory in use. ENERGY: 4242600 3930.4832 20608.6745 14544.1954 232.8256 -203192.5628 2379.2018 0.0000 0.0000 51823.0974 -109674.0849 297.8281 -161497.1823 -109316.1215 298.8679 -19.0032 8.8475 760420.4585 -0.4600 -0.4481 PRESSURE: 4242800 -121.061 -39.4064 83.5751 -39.4065 227.652 332.176 83.5747 332.176 -11.4907 GPRESSURE: 4242800 -88.3525 -86.7392 161.512 0.912443 234.926 313.223 145.27 252.183 21.7164 PRESSAVG: 4242800 9.26841 -18.1024 16.2128 -18.1023 -19.9647 19.8266 16.2128 19.8265 0.269509 GPRESSAVG: 4242800 10.3682 -18.1102 15.4435 -19.257 -20.6165 20.4294 18.713 18.6815 -0.599068 TIMING: 4242800 CPU: 13724.2, 0.00312619/step Wall: 13724.2, 0.00312619/step, 0.657541 hours remaining, 235.714844 MB of memory in use. ENERGY: 4242800 3913.8919 20436.6857 14415.2431 255.6588 -203433.3798 2716.1835 0.0000 0.0000 52158.3917 -109537.3250 299.7550 -161695.7167 -109173.0674 299.1028 31.6999 56.0965 760893.0354 -3.4756 -3.6158 PRESSURE: 4243000 137.395 -72.113 61.1484 -72.1132 -184.805 74.6227 61.1481 74.622 54.3491 GPRESSURE: 4243000 133.78 -53.9067 41.0397 -285.904 -37.0236 -53.3139 -137.98 248.514 3.89129 PRESSAVG: 4243000 40.9335 5.72656 -9.48107 5.72656 -33.4172 -3.79367 -9.48108 -3.79368 -8.29207 GPRESSAVG: 4243000 41.2826 7.49901 -9.69507 6.40207 -33.3667 -4.82715 -10.5708 -3.96432 -8.51147 TIMING: 4243000 CPU: 13724.8, 0.00312804/step Wall: 13724.8, 0.00312804/step, 0.657757 hours remaining, 235.714844 MB of memory in use. ENERGY: 4243000 3939.8948 20512.6416 14447.0869 233.0779 -203357.1710 2602.2427 0.0000 0.0000 52224.4636 -109397.7636 300.1347 -161622.2272 -109042.3687 299.5022 2.3131 33.5491 759119.1743 -0.2586 -0.1985 PRESSURE: 4243200 47.1295 205.608 -62.3747 205.608 -331.441 145.658 -62.3746 145.659 -166.169 GPRESSURE: 4243200 47.8897 185.265 -67.6161 140.975 -207.233 103.656 100.552 217.878 -185.866 PRESSAVG: 4243200 35.5866 15.4503 -25.102 15.4503 -44.3268 19.0067 -25.102 19.0067 -5.20999 GPRESSAVG: 4243200 33.7161 13.5017 -24.499 16.1819 -42.9967 20.1749 -23.7595 20.5486 -5.0342 TIMING: 4243200 CPU: 13725.5, 0.00311988/step Wall: 13725.5, 0.00311988/step, 0.655868 hours remaining, 235.714844 MB of memory in use. ENERGY: 4243200 4015.1061 20573.1398 14518.4044 240.9294 -203081.8312 2287.0630 0.0000 0.0000 52178.0698 -109269.1187 299.8681 -161447.1885 -108911.0865 299.8865 -150.1601 -115.0697 761480.2684 -4.6500 -4.7716 PRESSURE: 4243400 -222.89 -82.9887 51.0013 -82.9886 -153.585 -254.367 51.0019 -254.366 72.5635 GPRESSURE: 4243400 -161.882 -151.924 132.012 -95.0124 -155.214 -260.295 29.8029 -186.601 98.3418 PRESSAVG: 4243400 77.5851 28.2092 -39.3798 28.2093 -68.9944 10.8004 -39.3798 10.8005 40.2782 GPRESSAVG: 4243400 78.9579 28.6688 -39.4056 27.6797 -70.6187 10.1547 -39.8513 11.7017 40.4767 TIMING: 4243400 CPU: 13726.1, 0.00312484/step Wall: 13726.1, 0.00312484/step, 0.656737 hours remaining, 235.714844 MB of memory in use. ENERGY: 4243400 3976.9434 20596.2217 14525.6468 264.5217 -203238.3043 2459.6918 0.0000 0.0000 52054.2818 -109360.9970 299.1567 -161415.2789 -109000.9773 299.9562 -101.3038 -72.9181 760593.4453 16.2896 16.2719 PRESSURE: 4243600 392.044 125.719 160.067 125.719 -63.1592 103.238 160.067 103.238 -40.6094 GPRESSURE: 4243600 425.717 -0.8298 134.112 87.9567 11.1661 140.282 53.5008 87.6259 -48.6385 PRESSAVG: 4243600 24.7348 -33.0497 -40.3094 -33.0497 -50.742 47.6766 -40.3095 47.6767 3.30966 GPRESSAVG: 4243600 23.8399 -34.3006 -41.1034 -32.1859 -50.9516 47.4676 -41.0166 46.5228 4.74293 TIMING: 4243600 CPU: 13726.7, 0.00314365/step Wall: 13726.7, 0.00314365/step, 0.660516 hours remaining, 235.714844 MB of memory in use. ENERGY: 4243600 4038.2252 20635.6374 14546.7224 241.1926 -203498.5591 2743.1077 0.0000 0.0000 52098.4493 -109195.2246 299.4105 -161293.6739 -108828.5467 299.2957 96.0917 129.4149 760637.9873 -7.5658 -7.4563 PRESSURE: 4243800 27.2177 -140.727 44.6641 -140.728 139.707 55.9621 44.6642 55.9614 137.74 GPRESSURE: 4243800 68.8089 -172.343 23.8755 -129.659 238.967 6.97989 91.5659 2.47108 88.6239 PRESSAVG: 4243800 10.8691 -33.0937 6.89384 -33.0937 2.58611 35.4335 6.89391 35.4335 -13.26 GPRESSAVG: 4243800 11.7188 -32.5073 6.98093 -33.0419 4.47155 35.4284 8.3982 33.8562 -15.2423 TIMING: 4243800 CPU: 13727.4, 0.00314356/step Wall: 13727.4, 0.00314356/step, 0.660322 hours remaining, 235.714844 MB of memory in use. ENERGY: 4243800 3994.1286 20597.5443 14475.8901 246.9769 -203411.0739 2654.0848 0.0000 0.0000 52011.1082 -109431.3410 298.9086 -161442.4492 -109074.7219 299.7347 101.5546 132.1332 760017.7364 0.0651 0.3160 PRESSURE: 4244000 -58.631 111.33 88.0942 111.33 350.685 179.219 88.0944 179.218 33.8256 GPRESSURE: 4244000 -9.56441 167.96 58.1966 84.0528 394.692 238.019 -19.0889 108.723 49.5546 PRESSAVG: 4244000 -1.51292 -47.9468 -11.4045 -47.9468 5.47279 8.69574 -11.4045 8.69573 3.52746 GPRESSAVG: 4244000 -0.18887 -49.5156 -10.2872 -47.8905 3.85561 9.52159 -12.5769 8.61888 4.149 TIMING: 4244000 CPU: 13728, 0.00313836/step Wall: 13728, 0.00313836/step, 0.659055 hours remaining, 235.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4244000 4002.9297 20487.9738 14533.8254 262.4790 -203162.1202 2510.7856 0.0000 0.0000 52061.6033 -109302.5234 299.1987 -161364.1267 -108948.4533 299.6143 108.6265 144.8940 760563.4252 2.4958 2.6052 PRESSURE: 4244200 -345.606 241.473 64.6867 241.472 15.4712 -70.2732 64.6864 -70.2742 -445.432 GPRESSURE: 4244200 -275.508 57.1642 4.78135 181.256 -61.5539 -130.127 -10.1913 64.7964 -346.8 PRESSAVG: 4244200 19.5669 -29.1959 9.4055 -29.1959 16.0283 72.543 9.4055 72.543 -21.1424 GPRESSAVG: 4244200 18.5855 -27.8006 10.8903 -29.3008 16.3026 72.2327 7.95498 74.6682 -20.8675 TIMING: 4244200 CPU: 13728.6, 0.00313563/step Wall: 13728.6, 0.00313562/step, 0.658307 hours remaining, 235.714844 MB of memory in use. ENERGY: 4244200 3977.4830 20562.7719 14476.9065 246.0779 -203282.6636 2473.8782 0.0000 0.0000 52152.6878 -109392.8582 299.7222 -161545.5460 -109032.2713 299.9999 -258.5222 -227.9538 761143.9777 4.8176 4.6735 LDB: ============= START OF LOAD BALANCING ============== 13741 LDB: ============== END OF LOAD BALANCING =============== 13741 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13741 LDB: ============= START OF LOAD BALANCING ============== 13741.3 LDB: Largest compute 7058 load 0.032276 is 16.5% of average load 0.195468 LDB: Average compute 0.004400 is 2.3% of average load 0.195468 LDB: TIME 13741.3 LOAD: AVG 0.195468 MAX 0.212104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 13741.3 LOAD: AVG 0.195468 MAX 0.212104 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: TIME 13741.3 LOAD: AVG 0.195468 MAX 0.212104 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: ============== END OF LOAD BALANCING =============== 13741.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13741.4 PRESSURE: 4244400 287.642 55.6704 -368.149 55.6715 -26.0584 2.05601 -368.149 2.05614 239.612 GPRESSURE: 4244400 275.315 -43.3346 -291.393 82.5511 63.7192 77.1838 -296.09 -36.7128 262.489 PRESSAVG: 4244400 40.9955 -22.6055 -72.1606 -22.6055 -28.7329 -4.99295 -72.1605 -4.99296 3.88351 GPRESSAVG: 4244400 39.462 -24.3008 -74.9172 -21.9326 -27.3444 -6.3368 -69.0607 -4.09016 4.29799 TIMING: 4244400 CPU: 13729.2, 0.00319479/step Wall: 13729.2, 0.00319479/step, 0.670551 hours remaining, 234.113281 MB of memory in use. ENERGY: 4244400 3986.8801 20475.5895 14440.7763 243.2823 -203481.6355 2646.2961 0.0000 0.0000 52273.7360 -109415.0753 300.4179 -161688.8114 -109059.3104 299.7749 167.0654 200.5078 761039.1964 5.3820 5.4718 PRESSURE: 4244600 144.848 3.01095 78.0098 3.01037 202.644 -53.9027 78.009 -53.9024 44.6581 GPRESSURE: 4244600 144.7 -4.68327 95.6109 -28.0978 318.976 -65.7423 37.7954 -114.676 38.2507 PRESSAVG: 4244600 55.1605 -36.0372 -106.534 -36.0372 -94.4884 2.74608 -106.534 2.74598 10.9382 GPRESSAVG: 4244600 55.916 -33.7628 -104.902 -33.8568 -95.6108 5.19821 -106.699 -1.34485 11.1214 TIMING: 4244600 CPU: 13729.9, 0.00315042/step Wall: 13729.9, 0.00315042/step, 0.661063 hours remaining, 234.312500 MB of memory in use. ENERGY: 4244600 3974.8372 20318.3988 14451.6804 245.5848 -203457.8765 2868.0798 0.0000 0.0000 52122.4160 -109476.8794 299.5482 -161599.2954 -109110.7722 299.1954 130.7166 167.3089 761503.5178 -9.4632 -9.5245 PRESSURE: 4244800 164.428 -43.9421 -231.114 -43.9415 -124.684 52.4027 -231.114 52.4022 125.547 GPRESSURE: 4244800 175.858 -182.612 -336.624 -75.5415 -25.371 5.05126 -162.015 70.4219 108.762 PRESSAVG: 4244800 79.2469 -19.9333 -61.852 -19.9333 -3.84866 9.29174 -61.852 9.29179 10.244 GPRESSAVG: 4244800 78.1118 -18.1647 -63.5403 -22.739 -2.37754 7.86537 -61.0877 10.4819 10.2058 TIMING: 4244800 CPU: 13730.5, 0.00314309/step Wall: 13730.5, 0.00314309/step, 0.659351 hours remaining, 234.312500 MB of memory in use. ENERGY: 4244800 3924.8054 20720.6324 14538.5663 261.1844 -204006.9347 3053.1710 0.0000 0.0000 52109.9840 -109398.5913 299.4768 -161508.5753 -109031.7669 299.6252 55.0968 86.4162 761929.1178 28.5474 28.6467 PRESSURE: 4245000 -262.346 198.416 3.20058 198.416 -40.4505 -96.9961 3.20042 -96.9955 122.802 GPRESSURE: 4245000 -201.697 79.3337 11.5263 98.2532 -26.9748 -83.7933 6.47805 -18.8738 121.234 PRESSAVG: 4245000 52.0855 6.2873 -19.4663 6.28725 -40.8974 29.5568 -19.4663 29.5568 0.763949 GPRESSAVG: 4245000 54.3334 4.4506 -18.6355 7.21381 -42.7656 29.0289 -19.7574 31.3509 0.349722 TIMING: 4245000 CPU: 13731.1, 0.00313025/step Wall: 13731.1, 0.00313025/step, 0.656483 hours remaining, 234.312500 MB of memory in use. ENERGY: 4245000 3960.1438 20591.0726 14476.4793 236.2822 -203278.8596 2738.3650 0.0000 0.0000 51918.1189 -109358.3977 298.3741 -161276.5166 -109010.3799 299.8013 -59.9980 -35.8124 761634.2523 3.9840 3.9725 PRESSURE: 4245200 102.97 -108.907 -181.629 -108.906 384.884 35.6659 -181.629 35.6655 78.9199 GPRESSURE: 4245200 122.019 -52.5207 -162.748 -70.8126 378.453 45.3606 -278.21 91.7695 165.148 PRESSAVG: 4245200 47.6759 -23.5647 -49.448 -23.5648 -36.2116 -6.26346 -49.448 -6.26351 8.82304 GPRESSAVG: 4245200 47.313 -22.8418 -49.3903 -24.8541 -35.3412 -5.50434 -48.2733 -7.18583 8.80951 TIMING: 4245200 CPU: 13731.8, 0.00312005/step Wall: 13731.8, 0.00312005/step, 0.654171 hours remaining, 234.312500 MB of memory in use. ENERGY: 4245200 3985.0420 20373.9145 14441.8944 231.3842 -203082.2393 2596.6723 0.0000 0.0000 51980.5152 -109472.8166 298.7327 -161453.3319 -109107.2890 299.3624 188.9246 221.8735 761748.0516 6.7624 6.9271 PRESSURE: 4245400 279.55 -21.8142 52.2952 -21.8131 -170.332 -23.8654 52.2955 -23.8655 -313.138 GPRESSURE: 4245400 222.284 17.9791 52.8846 15.7336 -57.7801 -73.136 16.1593 -32.7985 -289.015 PRESSAVG: 4245400 44.3187 -68.6347 -27.1959 -68.6346 -6.67744 14.4459 -27.1959 14.4459 32.83 GPRESSAVG: 4245400 43.7623 -67.7674 -27.4687 -67.9444 -6.58124 13.1548 -30.0437 15.7747 32.9103 TIMING: 4245400 CPU: 13732.4, 0.00313649/step Wall: 13732.4, 0.00313649/step, 0.657442 hours remaining, 234.312500 MB of memory in use. ENERGY: 4245400 3918.5526 20539.8861 14496.8862 252.6654 -203203.6064 2493.3921 0.0000 0.0000 52146.6925 -109355.5314 299.6878 -161502.2239 -108992.7525 299.4679 -67.9733 -41.5037 762342.1438 23.4904 23.3638 PRESSURE: 4245600 -498.254 7.74016 -33.4512 7.74016 -317.811 -17.539 -33.4511 -17.5385 -227.59 GPRESSURE: 4245600 -364.216 -45.2862 -34.1493 57.6462 -336.409 -15.9722 2.74714 74.34 -268.125 PRESSAVG: 4245600 16.1038 5.86679 -30.3612 5.86677 -39.7221 58.1812 -30.3612 58.1812 22.1085 GPRESSAVG: 4245600 17.2425 5.92118 -28.8451 5.64342 -40.8809 58.6479 -28.9176 57.5892 21.7156 TIMING: 4245600 CPU: 13733, 0.00316252/step Wall: 13733, 0.00316252/step, 0.662724 hours remaining, 234.312500 MB of memory in use. ENERGY: 4245600 3879.7610 20461.9389 14458.4572 246.3876 -203031.2105 2317.3676 0.0000 0.0000 52014.4817 -109652.8164 298.9279 -161667.2981 -109295.5653 299.0186 -347.8850 -322.9168 761756.2348 -0.5033 -0.6410 PRESSURE: 4245800 32.7591 48.5763 -27.9674 48.5765 -150.7 9.85493 -27.9672 9.85469 -125.183 GPRESSURE: 4245800 64.633 8.32044 16.5922 96.8305 -72.932 1.94257 -78.8338 7.9419 -127.232 PRESSAVG: 4245800 56.733 -66.972 -14.523 -66.9719 -39.1266 59.007 -14.523 59.007 17.1047 GPRESSAVG: 4245800 54.9407 -67.9656 -15.8619 -66.2759 -38.5509 59.5977 -14.3278 58.1322 17.8319 TIMING: 4245800 CPU: 13733.6, 0.00315389/step Wall: 13733.6, 0.00315389/step, 0.660741 hours remaining, 234.382812 MB of memory in use. ENERGY: 4245800 3993.6760 20413.1218 14446.7315 238.1561 -203171.7327 2555.4585 0.0000 0.0000 51907.3415 -109617.2473 298.3122 -161524.5888 -109261.3737 298.6499 -81.0411 -45.1769 762254.4011 11.5704 11.4072 PRESSURE: 4246000 -318.785 -135.162 98.2709 -135.163 112.376 -13.4373 98.2695 -13.4365 -296.792 GPRESSURE: 4246000 -217.414 -102.473 116.709 -0.227256 11.1553 10.7437 -6.40202 -8.95418 -201.333 PRESSAVG: 4246000 24.8968 -73.1688 -68.1144 -73.1688 -44.0929 -10.7777 -68.1144 -10.7777 6.87704 GPRESSAVG: 4246000 25.3532 -74.5171 -67.3864 -74.7635 -43.8133 -11.5431 -69.3685 -9.42798 7.0844 TIMING: 4246000 CPU: 13734.3, 0.00313354/step Wall: 13734.3, 0.00313354/step, 0.656302 hours remaining, 234.382812 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: 4246000 3970.9625 20482.8874 14479.4285 244.6100 -203242.3103 2672.6232 0.0000 0.0000 51984.6979 -109407.1008 298.7568 -161391.7987 -109046.3402 299.3454 -167.7336 -135.8641 762340.4867 -4.1063 -3.7919 PRESSURE: 4246200 198.98 -35.4878 -342.524 -35.4883 73.9649 -51.1846 -342.523 -51.1863 127.65 GPRESSURE: 4246200 255.805 -11.9946 -296.339 -111.157 35.7486 -33.1715 -285.271 -44.1006 180.95 PRESSAVG: 4246200 -18.3626 -46.4972 13.151 -46.4972 38.2709 5.89853 13.151 5.89845 9.52476 GPRESSAVG: 4246200 -19.642 -45.0147 10.9158 -45.8126 39.2998 6.35609 14.6268 6.84053 9.56921 TIMING: 4246200 CPU: 13734.9, 0.00314034/step Wall: 13734.9, 0.00314034/step, 0.657553 hours remaining, 234.382812 MB of memory in use. ENERGY: 4246200 3927.1047 20424.1169 14499.5106 268.4194 -203532.3790 2578.4053 0.0000 0.0000 52260.2579 -109574.5642 300.3404 -161834.8221 -109208.6084 299.3525 133.5317 157.5012 760711.6403 9.8110 9.7424 PRESSURE: 4246400 74.6265 -119.106 -85.7966 -119.106 -308.636 -14.3664 -85.797 -14.366 -169.257 GPRESSURE: 4246400 120.947 -137.026 -76.8567 -77.3744 -313.37 -46.1054 -272.573 -97.7642 -132.221 PRESSAVG: 4246400 1.32252 -9.1871 -7.35221 -9.18713 8.86435 67.6297 -7.35225 67.6297 7.42143 GPRESSAVG: 4246400 3.24106 -10.5109 -4.85 -9.10412 7.49416 67.5772 -9.75568 66.637 6.65386 TIMING: 4246400 CPU: 13735.5, 0.0031325/step Wall: 13735.5, 0.0031325/step, 0.655736 hours remaining, 234.382812 MB of memory in use. ENERGY: 4246400 3972.4947 20708.3327 14459.9074 251.6944 -203200.4109 2228.0245 0.0000 0.0000 52126.5033 -109453.4538 299.5717 -161579.9571 -109108.5693 299.5568 -134.4219 -108.2147 760684.2968 5.8694 5.7964 PRESSURE: 4246600 585.621 -165.286 150.106 -165.285 165.101 40.6669 150.106 40.6662 189.521 GPRESSURE: 4246600 582.088 -203.077 155.544 4.24282 231.423 29.2673 167.4 36.0497 196.692 PRESSAVG: 4246600 13.3092 -66.9725 17.8855 -66.9725 -82.1664 18.0031 17.8855 18.0031 -33.6322 GPRESSAVG: 4246600 13.7157 -68.1991 17.7467 -64.0854 -82.4088 17.5937 19.0244 18.4085 -33.8968 TIMING: 4246600 CPU: 13736.2, 0.00311741/step Wall: 13736.2, 0.00311741/step, 0.652405 hours remaining, 234.382812 MB of memory in use. ENERGY: 4246600 3947.1075 20430.0888 14464.1633 256.7990 -203468.0912 2659.3193 0.0000 0.0000 52075.6905 -109634.9227 299.2797 -161710.6132 -109275.3627 298.8137 313.4144 336.7345 761483.1558 -34.1631 -34.1966 PRESSURE: 4246800 311.493 -67.4407 -81.8906 -67.4412 -249.696 -94.3647 -81.8895 -94.3636 222.67 GPRESSURE: 4246800 285.229 -91.4227 -62.5543 -114.295 -147.661 -76.2865 19.6544 -15.465 225.894 PRESSAVG: 4246800 21.9197 -42.8256 -10.4405 -42.8256 -10.0281 16.2597 -10.4404 16.2597 8.66094 GPRESSAVG: 4246800 20.4321 -40.4102 -11.7975 -45.4732 -8.2585 16.2217 -9.41031 17.6106 8.99686 TIMING: 4246800 CPU: 13736.8, 0.00313713/step Wall: 13736.8, 0.00313713/step, 0.656358 hours remaining, 234.382812 MB of memory in use. ENERGY: 4246800 3981.2168 20485.7192 14545.7086 246.3719 -203000.1024 2276.7545 0.0000 0.0000 51942.1726 -109522.1589 298.5124 -161464.3315 -109159.7787 298.7609 94.8222 121.1543 760408.2899 6.8509 7.0568 PRESSURE: 4247000 -120.775 -48.5687 -82.4719 -48.5682 -468.692 133.748 -82.4723 133.748 -186.026 GPRESSURE: 4247000 -116.736 -96.5715 -162.632 81.4247 -447.642 132.333 -48.4066 162.826 -100.264 PRESSAVG: 4247000 21.9088 -38.0963 -30.3415 -38.0963 -37.2606 -34.1421 -30.3415 -34.1421 11.0501 GPRESSAVG: 4247000 22.6507 -36.8761 -28.3158 -36.6091 -39.5382 -33.5312 -32.104 -38.4736 12.751 TIMING: 4247000 CPU: 13737.4, 0.00314681/step Wall: 13737.4, 0.00314681/step, 0.658207 hours remaining, 234.382812 MB of memory in use. ENERGY: 4247000 3929.3072 20412.3070 14472.7628 247.4528 -203270.7301 2511.2054 0.0000 0.0000 52008.2337 -109689.4613 298.8920 -161697.6950 -109325.7224 298.6642 -258.4976 -221.5476 762142.0539 -1.4339 -1.3788 PRESSURE: 4247200 129.05 147.93 -226.856 147.93 48.8329 -63.4885 -226.855 -63.4883 -50.7394 GPRESSURE: 4247200 131.011 18.5857 -241.983 122.438 125.76 -104.049 -81.4146 -71.1299 -36.9102 PRESSAVG: 4247200 4.38981 -2.39665 -32.7746 -2.3966 -16.8982 42.0813 -32.7745 42.0813 -3.4133 GPRESSAVG: 4247200 3.27667 -5.04708 -34.9641 -3.53891 -16.0463 42.6535 -30.4659 45.6377 -3.64156 TIMING: 4247200 CPU: 13738, 0.00313596/step Wall: 13738, 0.00313596/step, 0.655764 hours remaining, 234.382812 MB of memory in use. ENERGY: 4247200 3903.6391 20357.5526 14467.2984 244.4339 -203827.0145 2893.7014 0.0000 0.0000 52187.6923 -109772.6968 299.9234 -161960.3890 -109406.7933 298.5414 42.3813 73.2868 761480.2648 -5.3072 -5.4704 PRESSURE: 4247400 69.4075 -17.1734 190.645 -17.1728 -257.01 -7.83735 190.644 -7.83675 -242.171 GPRESSURE: 4247400 85.2383 -85.0363 197.959 -6.30318 -158.264 -58.707 278.175 71.0761 -265.359 PRESSAVG: 4247400 31.073 -45.2407 -44.4959 -45.2408 -15.7077 -4.23137 -44.4959 -4.23132 -12.0049 GPRESSAVG: 4247400 31.9968 -42.8315 -42.7045 -45.1846 -15.9798 -4.75653 -46.8183 -3.91802 -12.9525 TIMING: 4247400 CPU: 13738.7, 0.00314563/step Wall: 13738.7, 0.00314562/step, 0.65761 hours remaining, 234.382812 MB of memory in use. ENERGY: 4247400 4022.0401 20531.2165 14479.3685 267.2405 -203609.4395 2711.0716 0.0000 0.0000 51947.1142 -109651.3881 298.5408 -161598.5023 -109299.7673 298.9000 -143.2577 -112.7946 761804.2453 1.1201 1.0215 PRESSURE: 4247600 -128.862 -70.4929 55.7865 -70.4922 280.737 99.6186 55.7867 99.6193 -539.255 GPRESSURE: 4247600 -36.3302 -110.143 58.9904 113.76 189.134 -5.73634 70.0214 155.5 -446.925 PRESSAVG: 4247600 7.00577 -23.6822 2.24557 -23.6822 -7.81912 28.2145 2.24558 28.2144 -22.8046 GPRESSAVG: 4247600 6.82253 -25.2003 1.19832 -23.7907 -7.90812 29.1189 4.2796 26.3626 -22.5582 TIMING: 4247600 CPU: 13739.3, 0.00315057/step Wall: 13739.3, 0.00315057/step, 0.658469 hours remaining, 234.382812 MB of memory in use. ENERGY: 4247600 4020.0060 20575.2000 14552.9935 245.5492 -203519.9181 2671.8408 0.0000 0.0000 51868.5404 -109585.7882 298.0892 -161454.3286 -109221.9394 298.9756 -129.1263 -98.0404 760727.4733 -7.8727 -7.8813 PRESSURE: 4247800 -495.974 1.22131 -17.1168 1.22185 41.9197 31.6079 -17.1173 31.6062 -92.8748 GPRESSURE: 4247800 -442.558 -42.6214 -4.85933 -8.96816 132.081 107.366 -29.6591 84.836 -132.201 PRESSAVG: 4247800 10.7244 13.4187 -47.76 13.4187 8.82291 64.5558 -47.76 64.5558 3.3093 GPRESSAVG: 4247800 11.4933 12.838 -48.7674 12.9884 9.35922 63.5829 -47.7756 64.3576 2.83263 TIMING: 4247800 CPU: 13739.9, 0.0031448/step Wall: 13739.9, 0.0031448/step, 0.657088 hours remaining, 234.382812 MB of memory in use. ENERGY: 4247800 4028.1942 20369.4777 14552.6966 244.4478 -203000.2078 2231.3033 0.0000 0.0000 52048.0514 -109526.0366 299.1209 -161574.0881 -109166.1715 299.4388 -182.3097 -147.5595 761173.3382 7.6189 7.8950 PRESSURE: 4248000 5.41233 -40.2065 85.6766 -40.206 179.288 75.7306 85.6771 75.7312 256.858 GPRESSURE: 4248000 77.7174 -55.2425 67.3361 -22.5228 234.452 12.6936 24.4036 152.549 222.165 PRESSAVG: 4248000 24.9959 -25.079 -39.6438 -25.0789 -30.2667 21.0199 -39.6439 21.0199 11.8231 GPRESSAVG: 4248000 25.2527 -25.2714 -38.2985 -24.7868 -30.1692 18.6601 -41.0688 23.9189 11.2884 TIMING: 4248000 CPU: 13740.6, 0.00315203/step Wall: 13740.6, 0.00315203/step, 0.658423 hours remaining, 234.382812 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: 4248000 3887.9754 20539.6985 14503.0283 239.6824 -203269.6670 2570.8973 0.0000 0.0000 51975.2749 -109553.1101 298.7026 -161528.3851 -109211.6959 298.6263 147.1861 178.1114 760771.0271 2.1841 2.1240 PRESSURE: 4248200 -51.8464 -0.690411 -115.136 -0.690306 139.919 -17.8396 -115.136 -17.8407 426.038 GPRESSURE: 4248200 18.4271 101.26 -191.118 125.14 181.22 39.354 -111.593 -65.7159 401.911 PRESSAVG: 4248200 15.1054 -2.86598 -47.1645 -2.86601 -37.1101 24.9833 -47.1645 24.9833 -21.2294 GPRESSAVG: 4248200 14.518 -2.67126 -46.54 -2.70402 -37.7986 27.0667 -48.3024 22.8738 -19.7081 TIMING: 4248200 CPU: 13741.2, 0.00314868/step Wall: 13741.2, 0.00314868/step, 0.657549 hours remaining, 234.382812 MB of memory in use. ENERGY: 4248200 3891.3267 20528.9238 14509.5632 243.9180 -203025.9532 2511.9787 0.0000 0.0000 51951.8045 -109388.4384 298.5677 -161340.2429 -109022.3486 299.3332 171.3702 200.5193 761461.0002 -14.4114 -14.3296 LDB: ============= START OF LOAD BALANCING ============== 13753.6 LDB: ============== END OF LOAD BALANCING =============== 13753.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13753.6 LDB: ============= START OF LOAD BALANCING ============== 13753.9 LDB: Largest compute 7037 load 0.031654 is 16.2% of average load 0.195594 LDB: Average compute 0.004410 is 2.3% of average load 0.195594 LDB: TIME 13753.9 LOAD: AVG 0.195594 MAX 0.213749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 13753.9 LOAD: AVG 0.195594 MAX 0.213749 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 13753.9 LOAD: AVG 0.195594 MAX 0.213749 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 13753.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13753.9 PRESSURE: 4248400 -246.123 -273.906 38.8641 -273.905 -90.8214 74.023 38.8644 74.023 -123.957 GPRESSURE: 4248400 -225.514 -240.575 -66.4375 -314.96 -28.8391 58.5705 80.2696 24.0054 -111.875 PRESSAVG: 4248400 64.9224 9.20392 0.865678 9.204 -27.6139 35.6476 0.865611 35.6476 -8.91353 GPRESSAVG: 4248400 64.5903 10.5918 1.47918 8.02203 -26.7297 35.9254 0.822204 34.4073 -9.59462 TIMING: 4248400 CPU: 13741.8, 0.00322768/step Wall: 13741.8, 0.00322768/step, 0.673868 hours remaining, 237.257812 MB of memory in use. ENERGY: 4248400 4030.8051 20399.7496 14554.2748 233.0015 -203360.8057 2577.9471 0.0000 0.0000 52164.6451 -109400.3825 299.7909 -161565.0276 -109028.9129 299.2026 -153.6338 -122.0759 761502.5024 9.4650 9.4220 PRESSURE: 4248600 -75.8431 16.7949 19.1954 16.7943 -371.641 117.004 19.1956 117.003 -105.353 GPRESSURE: 4248600 -37.5926 -76.7422 6.50841 -34.6253 -372.894 25.269 74.1663 15.1473 -52.3885 PRESSAVG: 4248600 23.221 -9.40858 -26.0739 -9.40853 -13.9309 5.28987 -26.0739 5.28985 12.4003 GPRESSAVG: 4248600 23.7782 -10.1805 -27.3293 -7.13821 -14.3986 3.97549 -23.4232 7.143 12.6886 TIMING: 4248600 CPU: 13742.5, 0.00316458/step Wall: 13742.5, 0.00316458/step, 0.660519 hours remaining, 237.515625 MB of memory in use. ENERGY: 4248600 4084.7429 20561.9116 14513.1316 238.5661 -203167.8093 2332.4372 0.0000 0.0000 52072.8594 -109364.1604 299.2634 -161437.0198 -109004.8875 299.2806 -184.2790 -154.2919 760573.4603 7.2301 7.3561 PRESSURE: 4248800 -261.294 22.2897 145.602 22.2893 -172.676 -127.029 145.602 -127.028 -542.921 GPRESSURE: 4248800 -138.033 56.1904 172.609 242.5 -185.442 -179.042 68.6969 -94.4662 -523.819 PRESSAVG: 4248800 52.3472 -25.0218 40.753 -25.0218 -33.9977 64.0214 40.753 64.0215 -10.6541 GPRESSAVG: 4248800 53.2414 -25.4247 41.9349 -27.2798 -33.9072 65.3945 38.3038 62.2438 -11.3006 TIMING: 4248800 CPU: 13743.1, 0.00314924/step Wall: 13743.1, 0.00314924/step, 0.657141 hours remaining, 237.515625 MB of memory in use. ENERGY: 4248800 4058.1090 20498.1085 14462.1825 242.7032 -203217.3252 2391.7734 0.0000 0.0000 52226.6168 -109337.8318 300.1471 -161564.4486 -108976.5442 299.5627 -325.6305 -282.4314 759940.3731 2.5652 2.6779 PRESSURE: 4249000 331.283 96.8759 56.431 96.8759 -70.0399 205.027 56.4303 205.026 29.3537 GPRESSURE: 4249000 352.628 51.8876 99.3927 91.7697 -14.827 202.161 140.008 135.341 49.8328 PRESSAVG: 4249000 21.403 22.8511 12.6398 22.8511 -11.0192 22.9687 12.6398 22.9687 -1.50108 GPRESSAVG: 4249000 21.4978 24.6818 11.4227 24.5378 -11.7852 22.9942 12.249 22.8893 -1.00765 TIMING: 4249000 CPU: 13743.7, 0.00316153/step Wall: 13743.7, 0.00316153/step, 0.659531 hours remaining, 237.515625 MB of memory in use. ENERGY: 4249000 3905.1669 20612.2312 14475.5969 260.4341 -203311.0837 2602.7599 0.0000 0.0000 52059.5089 -109395.3858 299.1867 -161454.8947 -109035.1681 299.7645 96.8657 129.2114 758905.6560 2.9609 2.9017 PRESSURE: 4249200 60.4193 67.3282 100.76 67.329 -398.192 -64.7407 100.76 -64.7407 -24.5796 GPRESSURE: 4249200 111.755 168.571 59.6422 103.143 -392.472 -69.3181 193.272 0.0525108 1.64484 PRESSAVG: 4249200 56.6629 8.4533 -12.8784 8.45326 -85.0946 4.73642 -12.8784 4.73644 -1.73364 GPRESSAVG: 4249200 55.5498 5.83505 -12.2909 8.08004 -84.1013 3.61516 -9.9444 6.56563 -1.86381 TIMING: 4249200 CPU: 13744.4, 0.00315727/step Wall: 13744.4, 0.00315727/step, 0.658465 hours remaining, 237.515625 MB of memory in use. ENERGY: 4249200 3978.1473 20490.8662 14502.2028 251.4328 -203453.5627 2521.0025 0.0000 0.0000 52295.0707 -109414.8404 300.5405 -161709.9111 -109056.8203 299.8668 -120.7840 -93.0241 759768.9660 -10.0551 -10.1384 PRESSURE: 4249400 -296.319 -70.5051 251.007 -70.5045 -3.07809 121.479 251.008 121.479 -28.2184 GPRESSURE: 4249400 -291.87 -133.764 231.251 -25.223 41.7148 89.3991 194.729 23.8627 11.5364 PRESSAVG: 4249400 124.034 -22.318 -17.3486 -22.3179 -98.9212 14.8279 -17.3486 14.8279 19.797 GPRESSAVG: 4249400 123.978 -20.1347 -18.6088 -22.6392 -98.9186 15.3301 -18.086 11.7421 19.473 TIMING: 4249400 CPU: 13745, 0.00316105/step Wall: 13745, 0.00316105/step, 0.659079 hours remaining, 237.527344 MB of memory in use. ENERGY: 4249400 3949.0016 20438.6798 14490.7794 217.6175 -202921.2923 2267.4298 0.0000 0.0000 52242.6140 -109315.1702 300.2390 -161557.7841 -108946.0360 299.9069 -109.2051 -79.5395 760691.1977 14.9699 14.8441 PRESSURE: 4249600 99.91 -36.6359 286.478 -36.6364 164.447 3.38912 286.478 3.38943 397.471 GPRESSURE: 4249600 165.797 -49.4099 229.173 -168.77 241.388 35.68 111.259 64.2187 352.429 PRESSAVG: 4249600 -29.3885 31.5228 -19.9331 31.5227 -2.93301 -19.9755 -19.9331 -19.9754 18.0521 GPRESSAVG: 4249600 -28.5696 30.1095 -19.8588 30.4026 -3.06456 -19.0029 -19.6956 -18.042 17.1725 TIMING: 4249600 CPU: 13745.6, 0.00315913/step Wall: 13745.6, 0.00315913/step, 0.658503 hours remaining, 237.527344 MB of memory in use. ENERGY: 4249600 3986.8555 20532.3331 14498.7380 245.3092 -203069.0757 2516.4314 0.0000 0.0000 52131.4654 -109157.9431 299.6002 -161289.4085 -108797.8938 299.4033 220.6092 253.2048 760912.5389 -4.7565 -4.8205 PRESSURE: 4249800 -518.931 -95.0299 -242.672 -95.0296 -155.107 -133.912 -242.672 -133.912 -105.616 GPRESSURE: 4249800 -445.285 -144.184 -246.945 -107.656 -110.477 -81.8992 -75.3954 -143.317 -122.857 PRESSAVG: 4249800 35.208 21.1518 -38.2675 21.1518 -36.5723 -11.4746 -38.2675 -11.4746 9.86344 GPRESSAVG: 4249800 34.4271 21.0997 -37.3809 21.8913 -34.8916 -13.633 -37.8212 -11.7456 8.89 TIMING: 4249800 CPU: 13746.3, 0.00316473/step Wall: 13746.3, 0.00316473/step, 0.659495 hours remaining, 237.597656 MB of memory in use. ENERGY: 4249800 3992.8809 20544.1247 14557.9058 249.3356 -202789.1622 2386.7545 0.0000 0.0000 52143.6844 -108914.4764 299.6705 -161058.1608 -108556.4204 300.4520 -259.8847 -226.2065 762421.5307 2.8331 2.8085 PRESSURE: 4250000 158.505 211.648 -240.802 211.647 -197.603 97.6168 -240.802 97.6169 138.785 GPRESSURE: 4250000 172.693 181.643 -391.56 263.018 -129.763 42.8749 -142.927 117.884 128.832 PRESSAVG: 4250000 19.4827 11.175 0.946779 11.175 -8.45099 -16.2347 0.946824 -16.2347 -8.14264 GPRESSAVG: 4250000 20.2584 11.1601 1.2452 12.0586 -10.3621 -15.1554 -1.98837 -15.6971 -6.64497 TIMING: 4250000 CPU: 13746.9, 0.00314279/step Wall: 13746.9, 0.00314279/step, 0.654748 hours remaining, 237.597656 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: 4250000 4021.6672 20530.3276 14511.2308 260.2232 -202814.6238 2494.7692 0.0000 0.0000 52069.4126 -108926.9931 299.2436 -160996.4057 -108554.2109 300.4281 33.2291 57.2541 761860.9554 0.9630 1.0838 PRESSURE: 4250200 10.4225 146.78 -61.5565 146.78 35.3206 -68.1908 -61.5567 -68.1914 -491.64 GPRESSURE: 4250200 37.8998 129.623 -132.283 122.693 -5.23027 -183.193 -117.607 -106.495 -397.293 PRESSAVG: 4250200 56.4088 18.7436 -98.8101 18.7436 -28.2434 -14.6457 -98.8102 -14.6457 -7.36428 GPRESSAVG: 4250200 56.1531 18.9955 -99.906 17.1894 -27.7234 -12.3157 -95.4975 -17.564 -7.88561 TIMING: 4250200 CPU: 13747.5, 0.00315362/step Wall: 13747.5, 0.00315362/step, 0.656829 hours remaining, 237.597656 MB of memory in use. ENERGY: 4250200 4005.2844 20480.0663 14515.1687 254.6679 -203296.0358 2690.1371 0.0000 0.0000 52274.0418 -109076.6696 300.4196 -161350.7114 -108719.4320 299.8848 -148.6323 -121.5412 762034.6195 6.9337 6.8481 PRESSURE: 4250400 79.6534 -135.63 -46.684 -135.631 -31.3683 -61.7783 -46.6832 -61.7777 -21.7113 GPRESSURE: 4250400 0.822809 -68.613 1.09789 -85.6715 72.0918 -116.762 51.8598 -60.2582 41.2931 PRESSAVG: 4250400 54.1906 -29.0731 -18.3029 -29.0731 -76.0656 5.9394 -18.3029 5.93939 17.3807 GPRESSAVG: 4250400 53.5333 -28.3094 -18.7838 -28.1231 -76.4346 5.35329 -18.5309 9.13357 18.2455 TIMING: 4250400 CPU: 13748.1, 0.00314172/step Wall: 13748.1, 0.00314172/step, 0.654176 hours remaining, 237.605469 MB of memory in use. ENERGY: 4250400 4032.4652 20511.2113 14511.1687 251.4563 -202987.3539 2430.4986 0.0000 0.0000 52216.2307 -109034.3230 300.0874 -161250.5538 -108666.6484 300.3801 8.8579 38.0692 759800.8695 -1.4981 -1.5519 PRESSURE: 4250600 -36.8386 227.814 -43.6871 227.814 64.7543 -13.8075 -43.6874 -13.8072 148.515 GPRESSURE: 4250600 -59.2198 232.04 -72.4551 253.89 285.59 -40.3197 42.1389 -37.5913 64.8147 PRESSAVG: 4250600 25.5719 -54.7772 36.9097 -54.7773 -20.2256 -10.9603 36.9096 -10.9603 8.15368 GPRESSAVG: 4250600 24.665 -56.7224 38.1975 -53.5359 -19.1836 -11.4302 35.6325 -10.5504 8.36922 TIMING: 4250600 CPU: 13748.8, 0.00313592/step Wall: 13748.8, 0.00313592/step, 0.652794 hours remaining, 237.605469 MB of memory in use. ENERGY: 4250600 4003.1804 20651.5458 14450.6705 237.9853 -203155.4338 2764.5463 0.0000 0.0000 51751.8417 -109295.6638 297.4185 -161047.5056 -108942.8248 299.7909 58.8104 97.0618 759852.8395 4.5000 4.6169 PRESSURE: 4250800 262.571 -38.872 -81.5383 -38.8719 -68.1072 11.5437 -81.5383 11.5433 -119.839 GPRESSURE: 4250800 316.52 -120.368 -31.0579 129.479 -36.6181 105.92 -33.0417 4.56436 -116.306 PRESSAVG: 4250800 43.1269 2.78584 38.6609 2.78582 -15.1038 10.5316 38.6609 10.5315 -4.141 GPRESSAVG: 4250800 44.7408 4.72292 37.502 1.10799 -16.4415 11.9506 39.3199 7.69863 -4.25324 TIMING: 4250800 CPU: 13749.4, 0.00312029/step Wall: 13749.4, 0.00312029/step, 0.649366 hours remaining, 237.605469 MB of memory in use. ENERGY: 4250800 4048.4085 20589.7051 14517.2744 249.6302 -203349.9308 2382.6276 0.0000 0.0000 51963.4695 -109598.8155 298.6348 -161562.2850 -109242.4935 299.1123 24.8750 54.5321 761583.4794 7.9607 8.0154 PRESSURE: 4251000 -194.722 -2.65087 -203.749 -2.65132 97.6922 168.465 -203.75 168.464 80.3006 GPRESSURE: 4251000 -147.545 -37.5021 -102.404 -72.9987 58.2245 215.844 -186.488 215.532 154.739 PRESSAVG: 4251000 66.3647 -61.2351 0.734939 -61.235 -15.8023 -38.7595 0.734913 -38.7596 -15.0293 GPRESSAVG: 4251000 66.1264 -61.6705 1.93244 -61.3177 -15.3487 -40.1798 0.810545 -39.4194 -15.0887 TIMING: 4251000 CPU: 13750, 0.00310755/step Wall: 13750, 0.00310755/step, 0.646544 hours remaining, 237.605469 MB of memory in use. ENERGY: 4251000 3953.9131 20412.4922 14499.5324 253.7916 -203212.6153 2517.2466 0.0000 0.0000 51867.8561 -109707.7833 298.0853 -161575.6394 -109347.9485 298.8339 -5.5765 21.8061 761430.6077 11.8444 11.8964 PRESSURE: 4251200 249.28 168.061 7.18102 168.061 -35.5109 -34.7976 7.181 -34.7971 531.531 GPRESSURE: 4251200 252.963 104.247 69.5532 63.3807 25.302 24.7694 -114.695 3.8684 534.372 PRESSAVG: 4251200 16.8547 17.0375 -30.7198 17.0375 -27.4819 -35.1462 -30.7198 -35.1461 31.1812 GPRESSAVG: 4251200 17.3907 17.1285 -31.5703 18.2854 -27.8107 -36.4013 -30.596 -30.8793 30.9058 TIMING: 4251200 CPU: 13750.6, 0.00312876/step Wall: 13750.6, 0.00312876/step, 0.650781 hours remaining, 237.605469 MB of memory in use. ENERGY: 4251200 3972.6470 20614.4431 14509.9387 237.2611 -203533.3988 2635.1328 0.0000 0.0000 51858.5539 -109705.4222 298.0318 -161563.9760 -109346.9278 299.1184 248.4334 270.8789 761287.5351 6.8513 6.8286 PRESSURE: 4251400 95.5908 225.867 -113.888 225.867 -319.902 56.4737 -113.889 56.4739 -185.243 GPRESSURE: 4251400 111.69 190.145 -32.9466 103.675 -253.508 105.288 -148.332 30.1023 -208.048 PRESSAVG: 4251400 69.5937 41.9468 -12.9347 41.9468 -83.0932 15.809 -12.9347 15.8089 -9.68787 GPRESSAVG: 4251400 69.4537 39.5587 -11.7386 41.7707 -82.4875 16.0424 -13.9534 16.3848 -10.3139 TIMING: 4251400 CPU: 13751.3, 0.00314254/step Wall: 13751.3, 0.00314254/step, 0.653474 hours remaining, 237.605469 MB of memory in use. ENERGY: 4251400 3958.9458 20567.6373 14519.9996 249.6053 -203633.7430 2643.4854 0.0000 0.0000 52109.1086 -109584.9612 299.4718 -161694.0698 -109209.3398 298.6550 -136.5179 -116.6217 762725.2993 -7.7291 -7.7826 PRESSURE: 4251600 -25.89 -40.8523 -71.4644 -40.8511 -325.377 1.07793 -71.4652 1.07847 -360.064 GPRESSURE: 4251600 -25.3205 53.2424 -82.3356 -24.7463 -245.573 -61.1293 -32.9651 -38.52 -334.755 PRESSAVG: 4251600 68.857 43.8347 11.6111 43.8348 -70.8591 11.9549 11.6111 11.955 -40.9606 GPRESSAVG: 4251600 67.9544 47.9936 10.803 42.9786 -71.8069 13.3222 11.7496 9.44406 -39.0471 TIMING: 4251600 CPU: 13751.9, 0.00314465/step Wall: 13751.9, 0.00314465/step, 0.653738 hours remaining, 237.605469 MB of memory in use. ENERGY: 4251600 4002.7203 20538.0460 14547.0385 250.4843 -203543.0137 2594.8508 0.0000 0.0000 51673.4405 -109936.4334 296.9680 -161609.8738 -109577.4775 298.4280 -237.1104 -201.8827 762072.2773 -14.3209 -14.2999 PRESSURE: 4251800 -104.014 52.8456 -5.04322 52.8458 83.3047 -40.6321 -5.04321 -40.6333 -198.209 GPRESSURE: 4251800 1.86657 77.4418 -42.5868 114.521 93.0634 -10.7234 -108.316 -52.4166 -209.553 PRESSAVG: 4251800 45.5428 -6.68968 -6.60345 -6.6897 -64.7827 -16.929 -6.60346 -16.929 -3.92093 GPRESSAVG: 4251800 46.9246 -6.56489 -7.71817 -6.26683 -64.5904 -18.1009 -5.11077 -15.856 -5.51775 TIMING: 4251800 CPU: 13752.5, 0.00315662/step Wall: 13752.5, 0.00315662/step, 0.656051 hours remaining, 237.605469 MB of memory in use. ENERGY: 4251800 3997.7016 20363.0530 14483.9641 251.6797 -203886.9179 2743.3735 0.0000 0.0000 52187.5974 -109859.5485 299.9228 -162047.1460 -109486.9762 298.3538 -72.9730 -38.2076 760873.0544 -7.7203 -7.7279 PRESSURE: 4252000 82.2594 -240.237 -235.68 -240.237 -92.7462 -14.2916 -235.68 -14.2919 -236.768 GPRESSURE: 4252000 117.036 -76.9471 -272.163 -201.415 -97.6317 50.0978 -273.264 27.742 -175.773 PRESSAVG: 4252000 85.7691 -1.9878 18.2302 -1.9878 -70.9498 21.9612 18.2302 21.9612 26.04 GPRESSAVG: 4252000 86.346 -4.82682 19.2131 0.255028 -72.3069 23.9862 16.0437 22.4495 25.9883 TIMING: 4252000 CPU: 13753.2, 0.00315496/step Wall: 13753.2, 0.00315496/step, 0.65553 hours remaining, 237.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4252000 4043.9895 20531.8676 14496.5779 246.7271 -203323.4031 2497.1800 0.0000 0.0000 51889.9005 -109617.1604 298.2120 -161507.0610 -109255.5632 298.6291 -82.4184 -52.1229 762577.9960 13.6198 13.3425 PRESSURE: 4252200 93.9781 102.437 -5.35026 102.439 -285.026 183.322 -5.35071 183.321 -90.6705 GPRESSURE: 4252200 -48.1772 92.5231 134.977 43.6923 -35.6052 126.569 -88.9889 76.2624 -138.323 PRESSAVG: 4252200 25.4337 -10.2117 9.62488 -10.2117 -26.4134 -37.2001 9.62488 -37.2001 10.8699 GPRESSAVG: 4252200 23.416 -9.3813 10.016 -13.4318 -24.8955 -40.4825 11.3919 -37.8761 11.3071 TIMING: 4252200 CPU: 13753.8, 0.00315394/step Wall: 13753.8, 0.00315394/step, 0.655144 hours remaining, 237.605469 MB of memory in use. ENERGY: 4252200 4043.7853 20558.9112 14508.6402 238.0673 -203172.1026 2375.1073 0.0000 0.0000 51974.7325 -109472.8588 298.6995 -161447.5913 -109120.7996 299.2607 -93.9063 -74.0350 762846.2030 3.2967 3.2759 LDB: ============= START OF LOAD BALANCING ============== 13766.2 LDB: ============== END OF LOAD BALANCING =============== 13766.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13766.2 LDB: ============= START OF LOAD BALANCING ============== 13766.5 LDB: Largest compute 7058 load 0.031925 is 16.3% of average load 0.195397 LDB: Average compute 0.004414 is 2.3% of average load 0.195397 LDB: TIME 13766.5 LOAD: AVG 0.195397 MAX 0.217257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13766.5 LOAD: AVG 0.195397 MAX 0.217257 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 13766.5 LOAD: AVG 0.195397 MAX 0.217257 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 13766.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13766.5 PRESSURE: 4252400 274.395 16.3466 56.1173 16.3478 208.52 126.91 56.1177 126.91 109.75 GPRESSURE: 4252400 328.177 63.244 27.7828 12.4692 241.823 231.987 -5.24036 69.1721 110.898 PRESSAVG: 4252400 37.7092 -2.65713 32.8985 -2.65712 -21.96 10.571 32.8986 10.5709 -21.2739 GPRESSAVG: 4252400 39.0384 -2.81941 32.685 -1.42346 -21.9315 11.1699 33.0504 11.511 -23.1966 TIMING: 4252400 CPU: 13754.4, 0.00322372/step Wall: 13754.4, 0.00322372/step, 0.669458 hours remaining, 235.125000 MB of memory in use. ENERGY: 4252400 3979.1499 20628.4916 14407.6988 262.2121 -203402.2728 2821.9220 0.0000 0.0000 51985.9380 -109316.8604 298.7639 -161302.7984 -108955.9254 299.2353 197.5548 226.9662 760985.2831 -1.8416 -2.0299 PRESSURE: 4252600 128.17 232.384 -146.071 232.385 113.555 -47.9074 -146.07 -47.9076 160.624 GPRESSURE: 4252600 128.357 352.723 -92.93 71.061 105.244 -160.74 -227.997 6.36567 248.304 PRESSAVG: 4252600 45.7297 -10.1727 13.4059 -10.1727 -6.50999 -2.22129 13.4058 -2.22132 -16.1665 GPRESSAVG: 4252600 44.5919 -10.6889 13.8275 -9.12898 -7.02811 -1.49683 13.2914 -4.30528 -14.6938 TIMING: 4252600 CPU: 13755.1, 0.00315292/step Wall: 13755.1, 0.00315292/step, 0.654581 hours remaining, 235.382812 MB of memory in use. ENERGY: 4252600 4077.0307 20545.7944 14481.1370 238.1914 -203207.6377 2688.6382 0.0000 0.0000 51983.4401 -109193.4059 298.7495 -161176.8460 -108835.2002 299.6273 134.1162 160.6351 760498.3052 7.6844 7.6233 PRESSURE: 4252800 -75.2955 -41.9405 80.6733 -41.9409 -220.65 263.508 80.6733 263.508 4.03159 GPRESSURE: 4252800 -76.0594 27.1285 41.3096 -109.114 -124.814 290.847 12.4026 288.499 0.382556 PRESSAVG: 4252800 3.00776 24.5947 -9.93766 24.5946 -12.4469 -11.4686 -9.93764 -11.4686 11.3421 GPRESSAVG: 4252800 4.21689 25.8517 -10.3201 23.7114 -13.1273 -11.1446 -8.57279 -10.4906 10.9713 TIMING: 4252800 CPU: 13755.7, 0.00314569/step Wall: 13755.7, 0.00314569/step, 0.652906 hours remaining, 235.660156 MB of memory in use. ENERGY: 4252800 4024.1456 20526.4061 14445.7001 272.6219 -203025.8835 2295.5069 0.0000 0.0000 51986.1087 -109475.3942 298.7649 -161461.5029 -109112.7585 299.7376 -97.3046 -66.8302 760918.2309 0.6343 0.6870 PRESSURE: 4253000 -242.465 155.379 -20.75 155.379 -97.641 121.623 -20.7501 121.624 -248.405 GPRESSURE: 4253000 -143.204 128.921 -51.3541 196.354 -124.734 137.807 20.2327 157.148 -229.641 PRESSAVG: 4253000 -21.2472 3.68077 -40.6273 3.6807 -12.0609 -28.3506 -40.6273 -28.3506 -4.76092 GPRESSAVG: 4253000 -21.3045 4.10396 -41.1255 4.14347 -11.1926 -27.013 -41.7245 -26.5078 -5.46554 TIMING: 4253000 CPU: 13756.3, 0.0031487/step Wall: 13756.3, 0.0031487/step, 0.653355 hours remaining, 235.660156 MB of memory in use. ENERGY: 4253000 3956.3169 20434.6676 14508.7767 227.0295 -203320.8212 2507.2320 0.0000 0.0000 52076.4058 -109610.3927 299.2838 -161686.7985 -109248.5486 298.8517 -196.1705 -165.8597 760889.3283 -12.6896 -12.6542 PRESSURE: 4253200 13.5519 -34.8322 -109.108 -34.8313 55.659 -31.6525 -109.109 -31.6528 91.1308 GPRESSURE: 4253200 49.7815 24.5683 -55.97 -39.4855 87.0886 -96.1569 4.62796 133.529 105.387 PRESSAVG: 4253200 -21.8681 -10.3147 47.0662 -10.3147 9.23441 -10.1926 47.0662 -10.1925 15.6174 GPRESSAVG: 4253200 -20.8609 -13.8681 46.4148 -9.4853 8.79486 -12.5047 46.5055 -11.5523 15.7543 TIMING: 4253200 CPU: 13757, 0.00313086/step Wall: 13757, 0.00313086/step, 0.64948 hours remaining, 235.660156 MB of memory in use. ENERGY: 4253200 3992.7378 20424.7063 14490.2821 234.9018 -203330.3273 2477.5904 0.0000 0.0000 52056.5162 -109653.5927 299.1695 -161710.1089 -109299.0718 298.8643 53.4472 80.7523 760572.0932 0.9946 1.2294 PRESSURE: 4253400 -14.8875 73.1648 25.1393 73.1652 -330.688 123.986 25.1392 123.986 -371.422 GPRESSURE: 4253400 -15.5362 125.024 -64.2614 236.36 -279.483 172.567 88.8015 139.038 -322.919 PRESSAVG: 4253400 -36.1243 -26.6191 -12.6469 -26.6191 36.2437 -44.3079 -12.6469 -44.3078 -0.792429 GPRESSAVG: 4253400 -36.8662 -25.571 -11.3394 -25.2217 36.828 -42.5623 -12.1737 -43.4576 -0.285011 TIMING: 4253400 CPU: 13757.6, 0.00313991/step Wall: 13757.6, 0.00313991/step, 0.651182 hours remaining, 235.660156 MB of memory in use. ENERGY: 4253400 3937.4606 20577.7019 14517.8745 246.0441 -203313.2020 2528.8923 0.0000 0.0000 51854.4998 -109650.7288 298.0085 -161505.2286 -109289.1062 298.9876 -238.9993 -205.9795 761135.1619 -0.2243 -0.1077 PRESSURE: 4253600 -28.6859 177.758 197.678 177.758 325.462 -97.0152 197.677 -97.0142 75.4204 GPRESSURE: 4253600 70.9485 269.813 247.173 127.894 296.176 -173.147 135.246 -61.8683 86.2666 PRESSAVG: 4253600 19.2091 20.3125 26.4997 20.3126 -6.82211 -26.3806 26.4997 -26.3805 16.2737 GPRESSAVG: 4253600 18.6046 20.5892 24.51 17.1663 -5.99471 -25.2663 26.6005 -30.829 15.9473 TIMING: 4253600 CPU: 13758.2, 0.00313571/step Wall: 13758.2, 0.00313571/step, 0.650138 hours remaining, 235.660156 MB of memory in use. ENERGY: 4253600 3906.5277 20500.4247 14458.8990 266.1547 -203218.6248 2447.7264 0.0000 0.0000 52113.0898 -109525.8024 299.4946 -161638.8922 -109158.5967 299.2377 124.0654 151.1304 759593.7443 9.5536 9.5191 PRESSURE: 4253800 313.862 -174.117 -229.257 -174.118 -344.687 -98.0734 -229.256 -98.0734 -101.287 GPRESSURE: 4253800 329.533 -161.143 -259.863 -165.029 -311.8 -146.062 -189.648 105.226 -58.0164 PRESSAVG: 4253800 14.0746 18.0585 -18.7425 18.0584 -35.8463 -9.57072 -18.7425 -9.57078 -11.7038 GPRESSAVG: 4253800 14.6425 19.0745 -17.9632 18.3084 -36.9149 -11.0493 -18.6666 -5.65421 -11.3127 TIMING: 4253800 CPU: 13758.8, 0.00313713/step Wall: 13758.8, 0.00313713/step, 0.650258 hours remaining, 235.660156 MB of memory in use. ENERGY: 4253800 4051.1170 20504.3437 14426.5485 239.6860 -202851.9294 2209.1466 0.0000 0.0000 51880.7570 -109540.3304 298.1594 -161421.0875 -109189.0047 298.8562 -44.0372 -13.4277 762427.9946 -11.1585 -11.1950 PRESSURE: 4254000 54.0291 33.0832 92.9486 33.0836 32.8465 -81.6535 92.9482 -81.6538 132.306 GPRESSURE: 4254000 90.1705 51.9857 171.216 118.79 91.0242 -90.2171 135.973 -52.4716 145.405 PRESSAVG: 4254000 20.1126 28.1187 -26.2309 28.1186 -35.2708 15.588 -26.2308 15.5881 24.0132 GPRESSAVG: 4254000 20.2515 26.6049 -24.1896 27.947 -35.2559 15.278 -28.2063 15.3769 23.8584 TIMING: 4254000 CPU: 13759.5, 0.00314247/step Wall: 13759.5, 0.00314247/step, 0.651189 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4254000 3950.1871 20427.5651 14444.9151 246.6904 -203417.7240 2600.3838 0.0000 0.0000 52129.4715 -109618.5110 299.5888 -161747.9825 -109256.6727 298.9084 73.0604 108.8667 761659.5479 2.9517 2.9513 PRESSURE: 4254200 -501.356 -38.7067 -26.0311 -38.7066 -169.292 17.5201 -26.031 17.5216 -132.965 GPRESSURE: 4254200 -441.44 -123.264 -23.1013 66.3524 -157.869 88.0686 54.0978 -121.614 -123.945 PRESSAVG: 4254200 27.3994 -12.4585 -47.4552 -12.4584 -12.9797 16.6188 -47.4552 16.6189 -5.03984 GPRESSAVG: 4254200 28.6478 -15.1375 -49.3455 -11.0608 -13.0273 16.0786 -45.9583 15.2515 -6.43912 TIMING: 4254200 CPU: 13760.1, 0.00315396/step Wall: 13760.1, 0.00315396/step, 0.653396 hours remaining, 235.660156 MB of memory in use. ENERGY: 4254200 4015.5450 20325.3319 14404.7063 244.3941 -203277.3024 2441.6806 0.0000 0.0000 52178.1164 -109667.5281 299.8684 -161845.6445 -109297.9229 298.7326 -267.8706 -241.0849 762131.6136 3.1266 3.0605 PRESSURE: 4254400 146.563 5.83373 22.4126 5.83416 162.366 -43.3872 22.4121 -43.3869 139.411 GPRESSURE: 4254400 118.505 147.805 -68.7011 -51.2371 238.337 44.7825 78.0497 -48.9379 181.418 PRESSAVG: 4254400 6.37536 25.0555 -26.6529 25.0554 9.07738 -44.2745 -26.6529 -44.2744 -12.144 GPRESSAVG: 4254400 5.20606 27.498 -25.7214 23.9351 9.22572 -42.2126 -27.0878 -43.3704 -10.9217 TIMING: 4254400 CPU: 13760.7, 0.00314052/step Wall: 13760.7, 0.00314052/step, 0.650436 hours remaining, 235.660156 MB of memory in use. ENERGY: 4254400 3885.6101 20317.9291 14519.2352 241.0757 -203408.1784 2414.9007 0.0000 0.0000 52184.5377 -109844.8898 299.9053 -162029.4275 -109471.6416 298.6631 149.4465 179.4204 760277.0545 1.1029 1.1700 PRESSURE: 4254600 77.7428 -134.785 81.0616 -134.785 -37.8278 -5.9511 81.0612 -5.95195 181.166 GPRESSURE: 4254600 108.399 -143.463 31.901 -103.683 31.9431 -97.6993 13.3414 48.3474 153.184 PRESSAVG: 4254600 -58.9631 3.01403 0.367046 3.01403 -1.66486 8.97081 0.367082 8.97074 -8.14609 GPRESSAVG: 4254600 -59.2807 3.44664 0.599592 3.3505 -0.902371 7.85652 0.742502 8.35286 -9.28391 TIMING: 4254600 CPU: 13761.3, 0.00314055/step Wall: 13761.3, 0.00314055/step, 0.650268 hours remaining, 235.660156 MB of memory in use. ENERGY: 4254600 3913.3713 20501.3568 14390.2128 243.9308 -203296.7133 2512.5190 0.0000 0.0000 51985.0932 -109750.2293 298.7590 -161735.3225 -109388.7440 298.9149 73.6936 97.8421 761484.2047 -22.9247 -23.1557 PRESSURE: 4254800 -91.6693 -47.1259 -24.0134 -47.1263 -145.388 -127.626 -24.0141 -127.626 -180.117 GPRESSURE: 4254800 -17.473 -48.4627 -55.9741 -51.1616 -55.0222 -120.877 -66.215 -121.103 -256.687 PRESSAVG: 4254800 21.4917 -58.8003 -9.27139 -58.8003 -54.3429 -25.3995 -9.27136 -25.3994 -10.3566 GPRESSAVG: 4254800 21.9681 -59.0521 -10.6947 -58.6938 -54.7446 -25.2189 -9.40188 -23.0928 -9.75863 TIMING: 4254800 CPU: 13762, 0.00315107/step Wall: 13762, 0.00315107/step, 0.652272 hours remaining, 235.800781 MB of memory in use. ENERGY: 4254800 4048.9759 20505.4349 14465.5328 256.2768 -203360.1351 2405.8935 0.0000 0.0000 52115.5922 -109562.4290 299.5090 -161678.0212 -109202.7506 299.1389 -139.0579 -109.7273 761257.3753 -14.4026 -14.1784 PRESSURE: 4255000 3.37189 45.0546 -50.7467 45.0545 282.954 -223.122 -50.7467 -223.122 295.722 GPRESSURE: 4255000 -24.1861 -38.8426 -69.0175 110.33 278.843 -224.64 -109.688 -135.318 405.21 PRESSAVG: 4255000 5.64286 22.9487 7.04999 22.9488 -20.7028 -62.6986 7.05001 -62.6986 14.7775 GPRESSAVG: 4255000 6.52785 22.2124 8.39735 21.708 -21.7516 -63.1645 7.78498 -64.2853 14.7973 TIMING: 4255000 CPU: 13762.6, 0.00314899/step Wall: 13762.6, 0.00314899/step, 0.651666 hours remaining, 235.800781 MB of memory in use. ENERGY: 4255000 3903.6400 20617.4603 14496.2025 238.1576 -203135.0819 2651.9289 0.0000 0.0000 51703.2059 -109524.4868 297.1390 -161227.6927 -109158.8396 299.1387 194.0160 219.9558 760992.0822 -0.0941 -0.1422 PRESSURE: 4255200 -209.127 93.0571 154.326 93.0579 -241.442 -215.699 154.326 -215.699 -4.24926 GPRESSURE: 4255200 -220.688 132.697 184.647 199.006 -97.4693 -182.59 127.012 -127.206 -31.9851 PRESSAVG: 4255200 4.00114 -26.3948 -1.77479 -26.3948 -28.4932 0.286243 -1.77485 0.2862 10.4979 GPRESSAVG: 4255200 2.59207 -25.9384 -2.05025 -25.5378 -26.4085 0.863839 -2.59175 0.525523 9.95857 TIMING: 4255200 CPU: 13763.2, 0.00315804/step Wall: 13763.2, 0.00315804/step, 0.653364 hours remaining, 235.800781 MB of memory in use. ENERGY: 4255200 3926.9271 20516.2745 14478.2866 259.8158 -202851.7763 2258.5200 0.0000 0.0000 51923.5662 -109488.3861 298.4054 -161411.9524 -109137.0303 299.3162 -151.6059 -116.7143 761454.9253 -4.6647 -4.6193 PRESSURE: 4255400 -166.364 -226.221 -222.492 -226.221 372.231 -48.8169 -222.493 -48.8174 -62.362 GPRESSURE: 4255400 17.0969 -102.684 -206.359 -210.532 287.627 -82.8807 -205.028 32.3978 -65.7874 PRESSAVG: 4255400 50.3056 0.411277 14.6903 0.411363 -29.514 16.1681 14.6903 16.1681 10.1815 GPRESSAVG: 4255400 52.5304 1.08281 14.7188 -0.00197474 -31.1346 15.1796 14.2026 14.5024 10.3089 TIMING: 4255400 CPU: 13763.9, 0.0031658/step Wall: 13763.9, 0.0031658/step, 0.654793 hours remaining, 235.800781 MB of memory in use. ENERGY: 4255400 3948.4623 20271.7190 14489.6378 253.2963 -203233.0377 2610.7861 0.0000 0.0000 52165.8945 -109493.2418 299.7981 -161659.1363 -109132.7030 299.2172 47.8350 79.6455 759776.2068 10.3243 10.5683 PRESSURE: 4255600 -135.506 143.628 138.351 143.627 -386.312 227.562 138.35 227.562 -50.2702 GPRESSURE: 4255600 -72.7967 171.565 132.929 27.4349 -345.815 300.143 226.973 213.395 -72.2865 PRESSAVG: 4255600 33.6379 -14.3562 58.3491 -14.3562 -4.76263 -35.6097 58.3491 -35.6097 -20.4714 GPRESSAVG: 4255600 31.5805 -14.4963 58.638 -14.869 -3.98226 -35.4243 58.8916 -35.6866 -19.8453 TIMING: 4255600 CPU: 13764.5, 0.00320062/step Wall: 13764.5, 0.00320062/step, 0.661818 hours remaining, 235.800781 MB of memory in use. ENERGY: 4255600 3939.5622 20460.1295 14506.2356 243.6201 -203074.8600 2269.6083 0.0000 0.0000 51970.6163 -109685.0880 298.6758 -161655.7043 -109325.2089 299.3819 -190.6961 -163.6326 761535.7281 2.8013 2.5843 PRESSURE: 4255800 -44.9415 152.34 -18.0207 152.341 154.169 -220.509 -18.0206 -220.507 258.093 GPRESSURE: 4255800 8.13354 63.0353 -20.1076 175.385 191.927 -238.414 -82.5408 -265.59 274.882 PRESSAVG: 4255800 8.75747 21.6113 46.8091 21.6112 -8.89187 -48.825 46.8091 -48.825 11.5114 GPRESSAVG: 4255800 9.16347 20.8898 46.9963 21.694 -8.03446 -50.0175 48.0283 -46.6602 11.1698 TIMING: 4255800 CPU: 13765.1, 0.00315529/step Wall: 13765.1, 0.00315529/step, 0.652269 hours remaining, 235.800781 MB of memory in use. ENERGY: 4255800 4000.6314 20568.1589 14440.8586 263.1504 -203145.8323 2546.2878 0.0000 0.0000 51718.2070 -109608.5382 297.2252 -161326.7452 -109259.7600 298.5759 122.4403 158.3144 761550.5137 3.7923 4.0996 PRESSURE: 4256000 350.737 77.3422 -15.3956 77.3416 66.0524 44.0467 -15.3953 44.0464 102.301 GPRESSURE: 4256000 282.787 6.74597 60.4513 53.5973 96.6042 33.5988 -163.419 6.33908 232.925 PRESSAVG: 4256000 62.0447 -0.524035 -37.9101 -0.524032 -52.7004 -1.12996 -37.9101 -1.12995 2.81564 GPRESSAVG: 4256000 61.9658 0.141843 -39.4065 -0.733561 -52.5229 -0.0933932 -40.9221 -2.98371 2.70459 TIMING: 4256000 CPU: 13765.8, 0.00315777/step Wall: 13765.8, 0.00315777/step, 0.652606 hours remaining, 235.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4256000 3930.3742 20531.8020 14492.9437 240.2942 -203208.2008 2568.2718 0.0000 0.0000 51902.4257 -109542.0891 298.2840 -161444.5148 -109183.6563 298.9308 173.0301 204.1054 762464.9663 4.0533 4.0492 PRESSURE: 4256200 -2.87137 156.446 74.7283 156.446 45.3615 43.0027 74.7278 43.0031 -77.4967 GPRESSURE: 4256200 158.183 170.664 78.8335 106.48 0.844352 -20.8492 38.8461 62.7733 -108.807 PRESSAVG: 4256200 26.8644 9.82365 7.46088 9.82368 -57.6663 10.2218 7.46088 10.2218 25.2656 GPRESSAVG: 4256200 28.9476 8.74069 8.13095 11.9096 -60.1116 10.8677 7.6657 10.0245 25.1588 TIMING: 4256200 CPU: 13766.4, 0.00315327/step Wall: 13766.4, 0.00315327/step, 0.651501 hours remaining, 235.800781 MB of memory in use. ENERGY: 4256200 3968.4630 20366.0258 14460.7125 240.4429 -203143.0422 2509.4532 0.0000 0.0000 51942.9155 -109655.0292 298.5166 -161597.9447 -109288.8535 298.4138 -11.6689 16.7403 762515.4683 -1.8454 -2.0017 LDB: ============= START OF LOAD BALANCING ============== 13778.8 LDB: ============== END OF LOAD BALANCING =============== 13778.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13778.8 LDB: ============= START OF LOAD BALANCING ============== 13779.2 LDB: Largest compute 7069 load 0.031498 is 16.1% of average load 0.195485 LDB: Average compute 0.004399 is 2.3% of average load 0.195485 LDB: TIME 13779.2 LOAD: AVG 0.195485 MAX 0.214218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.105 MB LDB: TIME 13779.2 LOAD: AVG 0.195485 MAX 0.214218 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: TIME 13779.2 LOAD: AVG 0.195485 MAX 0.214218 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: ============== END OF LOAD BALANCING =============== 13779.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13779.2 PRESSURE: 4256400 -73.5209 147.934 -142.181 147.933 -138.416 143.992 -142.181 143.992 -454.13 GPRESSURE: 4256400 -2.82035 54.0877 -158.91 -24.3967 -147.935 198.508 6.27965 -28.2159 -426.521 PRESSAVG: 4256400 40.4499 -1.63219 30.6208 -1.63224 8.42879 -25.0364 30.6207 -25.0363 -27.4908 GPRESSAVG: 4256400 38.8969 0.448379 30.3157 -4.23382 9.33417 -25.2927 31.4469 -26.2981 -26.6277 TIMING: 4256400 CPU: 13767.1, 0.00326758/step Wall: 13767.1, 0.00326758/step, 0.674936 hours remaining, 235.449219 MB of memory in use. ENERGY: 4256400 4031.9535 20413.4740 14426.1657 249.7487 -203351.1962 2662.8905 0.0000 0.0000 51949.8457 -109617.1180 298.5565 -161566.9637 -109263.3217 298.8070 -222.0222 -192.4257 763673.2371 7.1293 7.2011 PRESSURE: 4256600 133.777 29.894 105.883 29.894 241.317 -78.6525 105.884 -78.6538 66.7801 GPRESSURE: 4256600 96.5981 12.4887 17.6765 91.1791 362.034 -47.1188 29.9494 -78.5725 75.9872 PRESSAVG: 4256600 -16.4815 63.8093 32.3278 63.8093 -2.6368 -38.7953 32.3279 -38.7951 19.5602 GPRESSAVG: 4256600 -16.7658 61.6288 31.9853 66.5641 -1.3235 -40.6608 31.3607 -37.9038 18.9822 TIMING: 4256600 CPU: 13767.7, 0.00318472/step Wall: 13767.7, 0.00318472/step, 0.657644 hours remaining, 235.851562 MB of memory in use. ENERGY: 4256600 3995.1325 20515.2855 14363.6459 239.7911 -203435.2795 2685.3551 0.0000 0.0000 51821.4490 -109814.6204 297.8186 -161636.0694 -109464.2412 298.5738 147.2911 178.2064 761139.8308 0.1473 0.2976 PRESSURE: 4256800 118.593 -38.3493 -209.148 -38.3491 26.5792 -2.60277 -209.148 -2.60247 -464.39 GPRESSURE: 4256800 77.3571 -4.56429 -207.122 -62.624 127.667 21.9578 -394.033 -36.3517 -450.746 PRESSAVG: 4256800 26.4874 14.6175 -40.5067 14.6174 -32.0831 -6.11803 -40.5067 -6.11801 -0.0909662 GPRESSAVG: 4256800 27.4105 17.0018 -39.257 13.0629 -32.8761 -3.69012 -41.5205 -3.15296 -0.213881 TIMING: 4256800 CPU: 13768.3, 0.00317327/step Wall: 13768.3, 0.00317327/step, 0.655104 hours remaining, 235.851562 MB of memory in use. ENERGY: 4256800 4018.0106 20375.8034 14471.9403 256.2233 -203642.0392 2686.3505 0.0000 0.0000 51804.7149 -110028.9961 297.7224 -161833.7111 -109674.1107 298.2880 -106.4059 -81.9070 761061.7120 -1.8955 -1.8932 PRESSURE: 4257000 -175.199 117.239 -132.368 117.239 450.456 148.893 -132.368 148.894 -176.352 GPRESSURE: 4257000 -120.245 29.5717 -133.756 120.541 423.544 172.326 -85.6869 122.387 -108.662 PRESSAVG: 4257000 25.0622 -56.3062 -44.6333 -56.3062 31.8904 16.2319 -44.6333 16.2319 7.67474 GPRESSAVG: 4257000 25.2258 -58.2473 -46.8741 -55.1683 31.1662 15.4735 -44.3202 14.7149 8.11187 TIMING: 4257000 CPU: 13769, 0.00315716/step Wall: 13769, 0.00315716/step, 0.651602 hours remaining, 235.851562 MB of memory in use. ENERGY: 4257000 4055.8844 20295.2942 14431.5533 238.5313 -203578.4441 2794.4279 0.0000 0.0000 51909.6132 -109853.1398 298.3253 -161762.7530 -109487.2054 298.3899 32.9684 64.8791 759375.8220 21.5425 21.5013 PRESSURE: 4257200 251.789 1.64192 -51.5778 1.64145 248.136 50.6394 -51.5772 50.6387 543.864 GPRESSURE: 4257200 274.687 -34.9599 -21.9045 62.2416 332.254 92.3039 39.3478 22.189 529.853 PRESSAVG: 4257200 58.2001 -13.6657 -22.9095 -13.6657 -42.0412 -31.8216 -22.9094 -31.8216 0.698789 GPRESSAVG: 4257200 57.1618 -15.0018 -21.2741 -13.3929 -40.4761 -33.2161 -20.1301 -32.8058 -0.277966 TIMING: 4257200 CPU: 13769.6, 0.00315361/step Wall: 13769.6, 0.00315361/step, 0.650695 hours remaining, 235.851562 MB of memory in use. ENERGY: 4257200 3926.8544 20507.5675 14493.9945 238.8870 -203445.1179 2636.0441 0.0000 0.0000 51789.8709 -109851.8995 297.6371 -161641.7704 -109487.0128 298.7781 347.9299 378.9311 759454.8603 5.6192 5.4692 PRESSURE: 4257400 22.339 67.7089 206.105 67.7086 434.595 -51.6078 206.105 -51.608 -9.44417 GPRESSURE: 4257400 194.413 128.151 92.3112 61.6623 363.672 1.13843 164 -18.4301 -32.8788 PRESSAVG: 4257400 16.5323 -17.2486 13.2681 -17.2486 23.0097 4.50407 13.2681 4.50409 -0.356567 GPRESSAVG: 4257400 17.6657 -15.728 12.3819 -18.688 19.6761 6.66766 11.1665 4.41509 1.4865 TIMING: 4257400 CPU: 13770.2, 0.00313452/step Wall: 13770.2, 0.00313452/step, 0.646581 hours remaining, 235.851562 MB of memory in use. ENERGY: 4257400 3997.6220 20523.3299 14534.4989 252.0904 -203273.4578 2256.2606 0.0000 0.0000 51837.5719 -109872.0842 297.9112 -161709.6562 -109520.8105 298.7865 149.1633 175.0688 758684.1517 13.0618 12.9428 PRESSURE: 4257600 8.57093 -184.427 131.921 -184.427 -132.09 -34.8567 131.922 -34.8573 -345.829 GPRESSURE: 4257600 70.3683 -141.864 85.7568 -135.109 -123.563 -26.8735 26.1031 -67.1097 -326.421 PRESSAVG: 4257600 25.5786 -72.6677 -12.8472 -72.6677 -17.091 29.3082 -12.8472 29.3083 -0.734404 GPRESSAVG: 4257600 24.3703 -69.9801 -11.3293 -73.5053 -15.2567 29.306 -13.3657 29.5577 -1.07225 TIMING: 4257600 CPU: 13770.9, 0.00317575/step Wall: 13770.9, 0.00317575/step, 0.65491 hours remaining, 235.851562 MB of memory in use. ENERGY: 4257600 4015.9015 20319.8331 14428.3185 250.6405 -203713.6099 2543.4957 0.0000 0.0000 52102.0393 -110053.3813 299.4311 -162155.4206 -109688.3199 298.7126 -156.4493 -126.5385 759743.9433 2.5844 2.6805 PRESSURE: 4257800 -94.2953 -107.135 111.574 -107.135 74.7563 -202.367 111.573 -202.367 45.0683 GPRESSURE: 4257800 -101.034 -200.418 64.0505 -112.099 150.191 -182.733 130.857 -260.323 83.0712 PRESSAVG: 4257800 -3.70966 -42.8361 22.6784 -42.8361 -21.8203 -12.6624 22.6784 -12.6624 4.43549 GPRESSAVG: 4257800 -2.29621 -44.8296 22.1784 -41.9578 -22.7249 -14.8178 22.4479 -12.3812 4.02063 TIMING: 4257800 CPU: 13771.5, 0.00316214/step Wall: 13771.5, 0.00316214/step, 0.651928 hours remaining, 235.851562 MB of memory in use. ENERGY: 4257800 3878.4165 20429.5959 14478.0823 255.2593 -203771.2731 2561.9169 0.0000 0.0000 51943.4222 -110224.5801 298.5196 -162168.0023 -109871.1340 298.2976 8.5098 44.0761 758646.7509 -7.0315 -7.0002 PRESSURE: 4258000 262.61 -180.466 -0.364236 -180.467 -111.899 -99.2968 -0.363515 -99.2962 -83.9038 GPRESSURE: 4258000 321.996 -59.0038 -82.8732 -206.975 -71.7924 -104.827 129.133 -172.271 -78.4466 PRESSAVG: 4258000 98.7493 -60.9429 5.74734 -60.9429 -102.864 4.09086 5.74729 4.09089 -6.58726 GPRESSAVG: 4258000 98.7836 -61.2498 6.73106 -61.288 -102.918 5.91321 7.28204 4.58661 -6.46048 TIMING: 4258000 CPU: 13772.1, 0.00318439/step Wall: 13772.1, 0.00318439/step, 0.656338 hours remaining, 235.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 4010.1761 20318.4691 14392.4685 244.5839 -203156.3428 2221.0457 0.0000 0.0000 51922.3513 -110047.2482 298.3985 -161969.5994 -109693.8092 297.8090 22.2691 57.2524 759693.8177 -3.5673 -3.5316 PRESSURE: 4258200 -186.059 -103.247 -265.517 -103.248 177.314 169.942 -265.517 169.941 -154.55 GPRESSURE: 4258200 -112.412 -176.858 -327.343 -45.3274 117.329 107.934 -70.6141 102.211 -94.5272 PRESSAVG: 4258200 49.9284 -41.4329 -40.9118 -41.4329 -12.0118 -25.2891 -40.9118 -25.2891 17.7222 GPRESSAVG: 4258200 48.4705 -41.8569 -43.4068 -42.0929 -11.4446 -26.3682 -41.4524 -25.3815 18.2444 TIMING: 4258200 CPU: 13772.8, 0.00314516/step Wall: 13772.8, 0.00314516/step, 0.648077 hours remaining, 235.851562 MB of memory in use. ENERGY: 4258200 4033.9507 20443.2018 14426.6855 233.5338 -203481.3702 2383.5545 0.0000 0.0000 51873.7790 -110086.6649 298.1193 -161960.4439 -109729.1722 298.1121 -54.4317 -29.8700 759617.4638 18.5463 18.4235 PRESSURE: 4258400 80.7473 -7.38616 50.345 -7.38583 417.332 186.098 50.3439 186.098 139.67 GPRESSURE: 4258400 123.446 101.349 58.3552 -14.4312 436.944 115.069 25.8711 136.528 175.505 PRESSAVG: 4258400 -8.1885 -42.9337 12.2706 -42.9337 7.45595 20.5597 12.2706 20.5597 -25.1869 GPRESSAVG: 4258400 -7.46235 -42.7788 14.2711 -41.1366 7.506 21.7223 12.0987 19.8009 -25.8486 TIMING: 4258400 CPU: 13773.4, 0.00314682/step Wall: 13773.4, 0.00314681/step, 0.648244 hours remaining, 235.851562 MB of memory in use. ENERGY: 4258400 3907.7308 20589.9189 14402.1376 238.1126 -203536.5796 2501.4796 0.0000 0.0000 51913.9548 -109983.2453 298.3502 -161897.2001 -109621.0060 297.9536 212.5831 245.2983 758579.3774 -8.6398 -8.6017 PRESSURE: 4258600 -213.093 225.847 -63.9265 225.847 -104.291 221.881 -63.9267 221.882 521.149 GPRESSURE: 4258600 -191.153 106.658 -45.0329 176.246 -10.4477 280.923 -132.993 232.021 486.971 PRESSAVG: 4258600 28.9423 -62.7143 -0.422966 -62.7142 29.0286 51.4008 -0.422902 51.4008 8.06536 GPRESSAVG: 4258600 28.9315 -64.1552 -1.62458 -61.9173 29.1445 51.3962 0.0849721 51.1875 7.31868 TIMING: 4258600 CPU: 13774, 0.00314264/step Wall: 13774, 0.00314264/step, 0.647208 hours remaining, 235.851562 MB of memory in use. ENERGY: 4258600 3978.0354 20538.8493 14412.0813 246.9082 -203808.8307 2616.6457 0.0000 0.0000 51969.9378 -110046.3730 298.6719 -162016.3108 -109694.7417 298.3852 67.9217 95.1236 757109.2763 22.0121 21.7982 PRESSURE: 4258800 206.907 118.485 249.236 118.485 -212.653 95.1574 249.236 95.1566 -160.568 GPRESSURE: 4258800 273.328 118.679 301.994 186.239 -204.663 65.7106 193.703 198.866 -163.714 PRESSAVG: 4258800 75.0317 -63.3748 -15.3416 -63.3747 -40.763 -19.1762 -15.3416 -19.1761 2.34273 GPRESSAVG: 4258800 75.6241 -62.888 -15.4252 -64.207 -40.8584 -18.7867 -16.1426 -20.2227 2.35904 TIMING: 4258800 CPU: 13774.6, 0.00314388/step Wall: 13774.6, 0.00314388/step, 0.64729 hours remaining, 235.851562 MB of memory in use. ENERGY: 4258800 3956.5007 20526.7355 14330.4973 223.3086 -203770.0969 2533.1538 0.0000 0.0000 52097.7220 -110102.1789 299.4063 -162199.9009 -109739.4741 298.4672 -55.4381 -31.6829 758920.5582 12.2038 12.3749 PRESSURE: 4259000 -26.3111 -127.621 -299.499 -127.622 -70.4146 -64.7638 -299.499 -64.764 -272.561 GPRESSURE: 4259000 68.1465 -44.1872 -285.394 -72.7269 -84.1219 -67.1065 -157.855 -144.465 -263.109 PRESSAVG: 4259000 -12.8259 -58.6117 15.2739 -58.6117 25.3019 53.6365 15.2739 53.6364 -25.9534 GPRESSAVG: 4259000 -14.8455 -57.0635 14.7332 -59.227 25.5782 52.8731 17.5023 55.1294 -24.1502 TIMING: 4259000 CPU: 13775.3, 0.0031422/step Wall: 13775.3, 0.0031422/step, 0.646769 hours remaining, 235.851562 MB of memory in use. ENERGY: 4259000 3950.6692 20263.0866 14483.7276 225.0105 -203477.8026 2530.9534 0.0000 0.0000 51949.7315 -110074.6238 298.5558 -162024.3553 -109716.0585 298.0856 -123.0957 -93.0280 760884.5813 -4.4925 -4.4725 PRESSURE: 4259200 30.3606 89.7421 -179.944 89.7424 -321.384 -124.067 -179.944 -124.068 -523.162 GPRESSURE: 4259200 -36.8597 159.195 -137.685 -23.2444 -276.836 -139.477 -103.251 -164.421 -407.614 PRESSAVG: 4259200 19.6569 -31.9884 5.126 -31.9884 -49.6362 -30.0332 5.12598 -30.0331 -25.4056 GPRESSAVG: 4259200 21.2717 -30.7887 6.52424 -33.5863 -49.8097 -31.6093 3.86682 -29.5483 -26.9794 TIMING: 4259200 CPU: 13775.9, 0.0031305/step Wall: 13775.9, 0.0031305/step, 0.644188 hours remaining, 235.851562 MB of memory in use. ENERGY: 4259200 4044.7309 20548.2985 14524.2481 240.1826 -203437.0044 2498.3308 0.0000 0.0000 51666.6188 -109914.5947 296.9288 -161581.2135 -109562.3701 298.4479 -271.3953 -240.4365 760855.2931 -18.4616 -18.5058 PRESSURE: 4259400 31.5787 -253.8 46.1585 -253.8 -96.6043 318.639 46.1583 318.638 -319.937 GPRESSURE: 4259400 37.4371 -289.71 92.4689 -267.965 -115.76 298.645 85.3972 260.791 -209.585 PRESSAVG: 4259400 45.6983 -12.0565 17.4748 -12.0565 -35.6029 28.1461 17.4748 28.1461 21.3939 GPRESSAVG: 4259400 45.7367 -12.1703 17.0896 -9.33209 -37.4212 27.4994 16.6985 27.9603 22.5575 TIMING: 4259400 CPU: 13776.5, 0.00315118/step Wall: 13776.5, 0.00315118/step, 0.648267 hours remaining, 235.851562 MB of memory in use. ENERGY: 4259400 3992.8544 20571.5100 14463.5669 251.8610 -203911.5693 2765.0853 0.0000 0.0000 51957.3903 -109909.3014 298.5998 -161866.6917 -109553.4021 298.9456 -128.3210 -95.9691 760185.9909 10.4965 10.2910 PRESSURE: 4259600 140.708 152.318 -29.2551 152.318 106.563 3.65321 -29.2554 3.65194 -4.35177 GPRESSURE: 4259600 268.864 172.268 -4.40345 83.9656 76.2735 13.7299 -158.39 -0.560152 -5.18954 PRESSAVG: 4259600 -4.88907 -10.3807 34.4223 -10.3808 12.6811 6.67196 34.4223 6.672 23.2582 GPRESSAVG: 4259600 -4.97712 -10.9938 36.2206 -11.0327 14.963 8.25296 34.0963 8.00732 21.045 TIMING: 4259600 CPU: 13777.2, 0.00315816/step Wall: 13777.2, 0.00315816/step, 0.649529 hours remaining, 235.851562 MB of memory in use. ENERGY: 4259600 3962.4944 20427.8928 14457.0863 255.1057 -204013.9343 2943.3082 0.0000 0.0000 52031.1592 -109936.8878 299.0238 -161968.0470 -109578.9404 298.3012 80.9733 113.3161 762089.3547 10.3501 10.3436 PRESSURE: 4259800 260.447 -61.1101 40.5818 -61.1105 126.81 -144.269 40.5814 -144.268 132.068 GPRESSURE: 4259800 268.947 32.7084 49.1601 -86.1198 121.729 -71.1669 30.7175 -90.55 215.378 PRESSAVG: 4259800 39.5719 -35.421 3.85086 -35.421 6.44794 -12.7707 3.8509 -12.7706 -6.49423 GPRESSAVG: 4259800 38.8103 -37.2166 2.05475 -36.0402 4.13041 -11.0818 2.97375 -14.0052 -4.16871 TIMING: 4259800 CPU: 13777.8, 0.00314395/step Wall: 13777.8, 0.00314395/step, 0.64643 hours remaining, 235.851562 MB of memory in use. ENERGY: 4259800 3938.4208 20420.8484 14417.5653 246.1032 -203837.4100 2765.1730 0.0000 0.0000 52102.1181 -109947.1810 299.4316 -162049.2991 -109576.8240 298.7546 173.1083 202.0181 760951.8076 13.1752 12.9240 PRESSURE: 4260000 -92.7284 178.298 -30.1192 178.298 -14.9568 101.191 -30.1191 101.19 195.734 GPRESSURE: 4260000 -144.83 93.9063 -120.81 104.939 134.141 84.9997 -31.6878 111.717 178.114 PRESSAVG: 4260000 -11.3394 -49.9208 14.4874 -49.9208 19.8834 -1.04598 14.4873 -1.04598 -15.2274 GPRESSAVG: 4260000 -12.3712 -48.4886 12.9789 -48.3034 22.2777 -2.05597 16.5126 -1.74283 -17.007 TIMING: 4260000 CPU: 13778.4, 0.00314257/step Wall: 13778.4, 0.00314257/step, 0.645974 hours remaining, 235.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4260000 4007.1055 20426.6414 14561.5785 250.5504 -203573.4217 2499.5763 0.0000 0.0000 51957.4825 -109870.4871 298.6004 -161827.9696 -109509.9656 298.5890 29.3498 55.8082 760537.3217 -2.2278 -2.3668 PRESSURE: 4260200 8.73593 162.764 72.5308 162.764 -186.53 -41.4628 72.5303 -41.4622 -358.577 GPRESSURE: 4260200 61.8074 218.256 190.522 204.548 -191.081 -43.094 10.4356 37.1552 -318.868 PRESSAVG: 4260200 41.7746 -33.1323 -55.1754 -33.1323 -33.184 28.8095 -55.1754 28.8095 -14.7848 GPRESSAVG: 4260200 42.5405 -34.5109 -54.1231 -34.706 -34.736 28.1121 -55.2002 29.7112 -13.8958 TIMING: 4260200 CPU: 13779, 0.00312897/step Wall: 13779, 0.00312897/step, 0.643003 hours remaining, 235.851562 MB of memory in use. ENERGY: 4260200 4077.2570 20542.4342 14438.4524 251.0234 -203411.6114 2491.8005 0.0000 0.0000 51901.9287 -109708.7152 298.2811 -161610.6438 -109346.5457 298.6896 -178.7901 -149.3806 759115.7519 -2.0647 -2.0304 LDB: ============= START OF LOAD BALANCING ============== 13791.5 LDB: ============== END OF LOAD BALANCING =============== 13791.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13791.5 LDB: ============= START OF LOAD BALANCING ============== 13791.8 LDB: Largest compute 7078 load 0.033546 is 17.2% of average load 0.195452 LDB: Average compute 0.004412 is 2.3% of average load 0.195452 LDB: TIME 13791.8 LOAD: AVG 0.195452 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.746 MB LDB: TIME 13791.8 LOAD: AVG 0.195452 MAX 0.212914 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: TIME 13791.8 LOAD: AVG 0.195452 MAX 0.212914 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: ============== END OF LOAD BALANCING =============== 13791.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13791.8 PRESSURE: 4260400 51.3276 37.321 210.754 37.3214 219.866 -66.1928 210.754 -66.1935 187.368 GPRESSURE: 4260400 164.785 -57.3467 198.937 187.286 213.323 -59.6894 52.7068 -274.788 189.876 PRESSAVG: 4260400 38.6112 -39.3649 4.36501 -39.3648 -36.7313 55.1937 4.36504 55.1936 3.26002 GPRESSAVG: 4260400 39.0275 -36.6741 3.22483 -39.0846 -37.4399 55.9598 4.5456 54.474 4.09072 TIMING: 4260400 CPU: 13779.7, 0.00325239/step Wall: 13779.7, 0.00325239/step, 0.668186 hours remaining, 235.195312 MB of memory in use. ENERGY: 4260400 3953.8961 20496.4434 14423.4523 246.1704 -203246.3911 2430.6271 0.0000 0.0000 52117.2093 -109578.5925 299.5183 -161695.8018 -109214.1583 299.5277 152.8539 189.3280 758624.8224 1.7133 1.8928 PRESSURE: 4260600 3.67524 12.6994 43.3485 12.6992 154.4 61.2451 43.3486 61.2448 -221.511 GPRESSURE: 4260600 -9.91651 90.9381 69.5008 -23.2918 290.097 133.379 -0.924536 62.8178 -251.007 PRESSAVG: 4260600 15.1189 -7.56729 28.23 -7.56727 -7.17772 -3.59489 28.23 -3.59487 1.83686 GPRESSAVG: 4260600 14.7025 -6.55919 27.6813 -9.04375 -7.10087 -5.52227 29.2408 -3.29018 1.73414 TIMING: 4260600 CPU: 13780.3, 0.00315857/step Wall: 13780.3, 0.00315857/step, 0.648736 hours remaining, 235.656250 MB of memory in use. ENERGY: 4260600 3936.0610 20538.4950 14433.3195 259.9648 -203367.6332 2538.8945 0.0000 0.0000 52076.9799 -109583.9184 299.2871 -161660.8983 -109220.0300 299.1454 -21.1450 9.7245 759703.0739 3.2594 3.1119 PRESSURE: 4260800 -31.3425 162.837 127.604 162.837 -239.725 200.467 127.604 200.467 -261.316 GPRESSURE: 4260800 50.9253 244.171 89.8721 137.568 -336.328 206.955 71.4528 248.74 -171.505 PRESSAVG: 4260800 -9.05648 -8.721 43.8216 -8.72102 19.1007 42.38 43.8216 42.38 -7.82857 GPRESSAVG: 4260800 -8.27994 -12.0925 45.0715 -6.22312 18.277 43.1373 41.8078 44.7834 -7.8941 TIMING: 4260800 CPU: 13781, 0.00314083/step Wall: 13781, 0.00314083/step, 0.644917 hours remaining, 235.796875 MB of memory in use. ENERGY: 4260800 4033.2083 20472.8660 14505.8030 241.5400 -203680.4878 2429.6840 0.0000 0.0000 52291.1033 -109706.2833 300.5177 -161997.3866 -109322.3494 299.2547 -177.4610 -152.3028 759871.8763 0.7386 0.7010 PRESSURE: 4261000 -48.2836 -51.5721 172.947 -51.5724 55.7962 92.4078 172.947 92.4083 -90.0171 GPRESSURE: 4261000 0.69203 -20.4189 125.053 -70.396 73.9703 66.9307 31.2197 62.0377 -71.9475 PRESSAVG: 4261000 39.1223 -42.618 -26.0773 -42.618 -24.8764 42.3095 -26.0774 42.3095 -22.77 GPRESSAVG: 4261000 38.5987 -42.4877 -24.4819 -45.2693 -24.5516 43.8111 -25.4655 38.8849 -22.2556 TIMING: 4261000 CPU: 13781.6, 0.00315069/step Wall: 13781.6, 0.00315069/step, 0.646766 hours remaining, 235.796875 MB of memory in use. ENERGY: 4261000 4122.6391 20567.5078 14513.5654 254.8572 -203587.1070 2613.9161 0.0000 0.0000 51883.0450 -109631.5763 298.1726 -161514.6213 -109279.3790 298.8925 -27.5015 0.9050 759441.2094 -2.8414 -2.7362 PRESSURE: 4261200 27.3573 -56.5828 -26.4285 -56.5822 134.196 22.0444 -26.4279 22.0444 -267.948 GPRESSURE: 4261200 24.6076 -142.065 42.9638 -177.551 100.151 9.73642 -7.94483 21.6891 -152.739 PRESSAVG: 4261200 55.7321 -57.9453 -23.3004 -57.9453 -17.4202 -12.1888 -23.3003 -12.1888 -4.79563 GPRESSAVG: 4261200 55.5774 -58.9995 -24.7172 -55.7624 -16.9794 -13.2497 -22.8 -11.0641 -4.3828 TIMING: 4261200 CPU: 13782.2, 0.00315693/step Wall: 13782.2, 0.00315693/step, 0.647873 hours remaining, 235.796875 MB of memory in use. ENERGY: 4261200 3960.0316 20410.5390 14440.8267 240.0184 -203117.6936 2255.4723 0.0000 0.0000 51958.9397 -109851.8659 298.6087 -161810.8056 -109479.0401 298.4799 -35.4651 -9.3267 761499.7819 11.1721 11.4051 PRESSURE: 4261400 -147.252 44.3846 99.4852 44.3847 -126.14 -13.1565 99.4848 -13.1565 79.546 GPRESSURE: 4261400 -58.2152 81.1634 33.8407 135.265 -65.9957 54.0983 22.5291 -121.612 15.5315 PRESSAVG: 4261400 2.30853 -74.8592 -37.5672 -74.8592 2.85098 -26.5432 -37.5671 -26.5432 10.604 GPRESSAVG: 4261400 3.48432 -72.4819 -37.7292 -74.461 2.53258 -24.8291 -36.2059 -26.6507 9.8682 TIMING: 4261400 CPU: 13782.8, 0.00314298/step Wall: 13782.8, 0.00314298/step, 0.644835 hours remaining, 235.796875 MB of memory in use. ENERGY: 4261400 3994.5705 20424.6665 14486.7528 263.7194 -203410.5960 2438.3498 0.0000 0.0000 51889.6165 -109912.9207 298.2103 -161802.5372 -109558.3440 298.1777 -64.6155 -36.2265 761308.3150 5.2545 5.2950 PRESSURE: 4261600 -5.2105 -79.7709 -162.759 -79.7704 86.9229 -3.87135 -162.759 -3.87217 64.1532 GPRESSURE: 4261600 66.9385 -65.2943 -232.901 -195.657 119.998 87.9709 -141.818 -111.466 46.1877 PRESSAVG: 4261600 37.9501 -61.8656 25.2879 -61.8655 -88.6117 -70.594 25.2879 -70.594 -4.34872 GPRESSAVG: 4261600 36.8429 -62.6037 25.8936 -63.2301 -88.0041 -69.7249 25.2331 -72.2421 -3.96969 TIMING: 4261600 CPU: 13783.5, 0.0031623/step Wall: 13783.5, 0.0031623/step, 0.648623 hours remaining, 235.796875 MB of memory in use. ENERGY: 4261600 3998.0253 20387.9848 14480.2341 237.3133 -203267.0922 2332.4426 0.0000 0.0000 52011.3007 -109819.7913 298.9097 -161831.0920 -109441.9951 298.7000 48.6219 77.7081 760866.7827 -18.3368 -18.3769 PRESSURE: 4261800 72.109 -268.49 119.004 -268.491 -141.159 0.101637 119.004 0.100931 -66.6577 GPRESSURE: 4261800 145.099 -161.001 87.6042 -193.075 -102.649 35.8031 79.4877 111.126 -69.9558 PRESSAVG: 4261800 -1.19615 -4.07741 -36.7351 -4.07739 -28.3796 -26.9307 -36.7351 -26.9306 0.294688 GPRESSAVG: 4261800 -0.512029 -5.07564 -38.2618 -3.94676 -28.0461 -30.2966 -38.263 -24.6577 -0.485295 TIMING: 4261800 CPU: 13784.1, 0.0031324/step Wall: 13784.1, 0.0031324/step, 0.642316 hours remaining, 235.996094 MB of memory in use. ENERGY: 4261800 4027.6463 20446.3020 14431.2528 245.8998 -203661.1094 2667.7330 0.0000 0.0000 52234.5326 -109607.7429 300.1926 -161842.2755 -109243.1198 298.9976 -45.2358 -9.1685 760348.7921 -9.7603 -9.6811 PRESSURE: 4262000 154.315 24.6015 202.617 24.6003 102.674 20.173 202.616 20.1725 70.3059 GPRESSURE: 4262000 193.259 -19.7697 193.365 -15.6542 118.289 -29.9774 219.568 -23.8653 89.3214 PRESSAVG: 4262000 71.2259 8.82772 -2.75702 8.82773 -23.5603 -12.2471 -2.75701 -12.247 1.37519 GPRESSAVG: 4262000 70.6839 9.44873 -0.908583 9.20067 -24.1335 -11.117 -0.740139 -10.5309 2.17993 TIMING: 4262000 CPU: 13784.7, 0.00312818/step Wall: 13784.7, 0.00312818/step, 0.641277 hours remaining, 235.996094 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: 4262000 4049.9548 20594.4027 14436.7515 259.9082 -203994.6688 2806.8303 0.0000 0.0000 51934.6973 -109912.1240 298.4694 -161846.8213 -109555.2822 298.9426 109.0985 133.6231 759824.4575 16.3469 16.2434 PRESSURE: 4262200 -51.4123 145.275 5.35522 145.275 107.104 -179.274 5.35406 -179.274 -121.824 GPRESSURE: 4262200 118.314 34.2956 27.3204 235.356 -22.8426 -240.429 -5.21517 -105.616 -66.2799 PRESSAVG: 4262200 24.9489 -45.2268 -34.6823 -45.2269 -2.88041 24.045 -34.6823 24.0451 -25.7759 GPRESSAVG: 4262200 26.4844 -45.4957 -36.0665 -45.2669 -3.73301 25.4898 -34.7764 20.8197 -27.2137 TIMING: 4262200 CPU: 13785.4, 0.0031167/step Wall: 13785.4, 0.0031167/step, 0.63875 hours remaining, 235.996094 MB of memory in use. ENERGY: 4262200 3997.6968 20417.2757 14452.6621 241.2475 -203618.2685 2585.6849 0.0000 0.0000 52131.1480 -109792.5534 299.5984 -161923.7014 -109423.6656 299.0110 -22.0441 9.7306 759508.7893 -1.2358 -1.4874 PRESSURE: 4262400 -105.535 216.16 -273.312 216.159 6.0563 120.695 -273.313 120.694 118.385 GPRESSURE: 4262400 -160.929 170.268 -285.033 247.713 74.6538 82.2718 -215.655 170.565 201.569 PRESSAVG: 4262400 60.5884 -31.0346 -3.74171 -31.0346 -77.8346 29.6045 -3.74177 29.6045 -13.3456 GPRESSAVG: 4262400 60.0591 -29.5393 -1.77624 -31.7383 -76.9289 26.9062 -4.01112 30.3334 -13.6456 TIMING: 4262400 CPU: 13786, 0.00313874/step Wall: 13786, 0.00313874/step, 0.643093 hours remaining, 235.996094 MB of memory in use. ENERGY: 4262400 3973.6040 20579.1385 14486.0072 237.9900 -203757.4702 2709.5588 0.0000 0.0000 52065.7204 -109705.4513 299.2224 -161771.1717 -109336.9466 299.2634 6.3023 38.4313 760428.2155 -10.1973 -10.1718 PRESSURE: 4262600 -205.095 -72.8642 -12.0351 -72.8635 -310.842 116.839 -12.035 116.84 -155.11 GPRESSURE: 4262600 -194.12 -50.1544 53.1302 -109.058 -386.139 90.7078 -108.987 180.96 -19.3898 PRESSAVG: 4262600 -1.91612 -28.6547 -36.6729 -28.6546 -9.84833 6.43706 -36.6728 6.43704 8.94146 GPRESSAVG: 4262600 -2.65355 -29.7318 -37.2994 -27.7914 -9.82097 8.65736 -38.8414 4.2487 9.51502 TIMING: 4262600 CPU: 13786.6, 0.00314579/step Wall: 13786.6, 0.00314579/step, 0.644363 hours remaining, 235.996094 MB of memory in use. ENERGY: 4262600 4006.0433 20603.1439 14415.6433 228.7460 -203110.4153 2137.1937 0.0000 0.0000 51954.3312 -109765.3140 298.5823 -161719.6452 -109396.8752 298.5792 -223.6822 -199.8830 760735.1851 -0.9410 -0.9865 PRESSURE: 4262800 -62.2175 22.7416 -199.361 22.7419 -157.53 -159.387 -199.36 -159.387 -16.0097 GPRESSURE: 4262800 47.0266 -53.8538 -248.754 -13.3417 -164.787 -143.645 -109.664 -116.601 -32.7825 PRESSAVG: 4262800 27.9267 -84.0787 -17.8285 -84.0788 -17.5267 -0.73209 -17.8285 -0.732103 15.4945 GPRESSAVG: 4262800 28.1917 -86.7464 -17.5937 -82.5012 -17.9062 -2.48617 -15.3259 1.80194 16.2911 TIMING: 4262800 CPU: 13787.2, 0.00315337/step Wall: 13787.2, 0.00315337/step, 0.64574 hours remaining, 235.996094 MB of memory in use. ENERGY: 4262800 4077.8251 20464.6612 14449.0570 235.3524 -203884.1449 2658.0839 0.0000 0.0000 52093.9894 -109905.1760 299.3849 -161999.1653 -109540.2281 299.0911 -78.5857 -50.1810 758612.0883 8.6315 8.8588 PRESSURE: 4263000 12.4461 -76.5964 -206.023 -76.5958 310.296 -12.2485 -206.024 -12.2495 474.32 GPRESSURE: 4263000 68.9672 -79.1247 -162.949 -26.809 347.47 21.4888 -247.857 -119.508 461.985 PRESSAVG: 4263000 2.45005 -40.6258 -29.7175 -40.6257 -4.01299 20.1518 -29.7175 20.1518 5.3445 GPRESSAVG: 4263000 2.79395 -38.2661 -29.7327 -41.0775 -4.09973 20.216 -29.3868 20.3902 4.38343 TIMING: 4263000 CPU: 13787.9, 0.00313396/step Wall: 13787.9, 0.00313396/step, 0.641592 hours remaining, 235.996094 MB of memory in use. ENERGY: 4263000 3946.3406 20531.7735 14465.6998 246.6729 -204027.3480 2790.4798 0.0000 0.0000 52233.2740 -109813.1073 300.1853 -162046.3813 -109449.3602 299.2889 265.6874 292.8074 759484.2817 1.2605 1.0259 PRESSURE: 4263200 4.1436 -58.8007 -181.017 -58.7996 -173.759 132.758 -181.017 132.759 -202.565 GPRESSURE: 4263200 85.2102 -69.1122 -86.6211 -69.8292 -143.875 172.37 -107.056 16.4777 -227.777 PRESSAVG: 4263200 34.8233 -68.4369 36.5512 -68.4369 -33.6338 -13.9179 36.5512 -13.9179 -7.76974 GPRESSAVG: 4263200 34.7125 -68.5856 37.7414 -68.7949 -33.9774 -11.7885 35.5846 -14.6863 -8.14293 TIMING: 4263200 CPU: 13788.5, 0.00313925/step Wall: 13788.5, 0.00313925/step, 0.642501 hours remaining, 235.996094 MB of memory in use. ENERGY: 4263200 3992.5104 20531.8056 14396.0965 256.4004 -203820.0983 2619.2177 0.0000 0.0000 52141.0983 -109882.9694 299.6556 -162024.0677 -109512.2192 298.8918 -124.0600 -95.4806 759629.5584 -2.1934 -2.4693 PRESSURE: 4263400 -75.5324 -65.1875 -50.7824 -65.1885 -311.276 -135.672 -50.7822 -135.671 -156.332 GPRESSURE: 4263400 -155.953 -136.683 25.956 26.8081 -251.922 -34.4253 -137.986 -241.301 -62.282 PRESSAVG: 4263400 6.08467 4.23942 14.7326 4.23938 -30.3602 -45.0289 14.7325 -45.0289 -1.39558 GPRESSAVG: 4263400 4.36555 4.65089 13.7819 2.86531 -30.2587 -45.9131 15.9542 -43.2168 0.0957414 TIMING: 4263400 CPU: 13789.1, 0.00314581/step Wall: 13789.1, 0.00314581/step, 0.643668 hours remaining, 235.996094 MB of memory in use. ENERGY: 4263400 3999.7011 20507.4898 14461.9414 240.3441 -203540.0503 2460.1086 0.0000 0.0000 52209.3413 -109661.1241 300.0478 -161870.4653 -109299.8468 299.4031 -181.0470 -156.7191 761214.7350 -8.5570 -8.5991 PRESSURE: 4263600 186.537 -22.7342 -122.14 -22.734 457.252 -47.8321 -122.14 -47.8313 328.143 GPRESSURE: 4263600 265.07 72.8603 -107.63 -0.499712 451.382 -46.3332 -38.9278 -45.4359 335.838 PRESSAVG: 4263600 -46.2507 -68.0688 -20.7828 -68.0689 28.7618 -43.7703 -20.7828 -43.7703 -5.76809 GPRESSAVG: 4263600 -45.0922 -68.4082 -21.2461 -67.1721 28.1664 -45.3682 -21.3667 -43.2305 -6.62553 TIMING: 4263600 CPU: 13789.7, 0.003136/step Wall: 13789.7, 0.003136/step, 0.641486 hours remaining, 235.996094 MB of memory in use. ENERGY: 4263600 3984.9529 20620.9826 14399.5358 251.9161 -203569.4752 2524.2280 0.0000 0.0000 52052.2139 -109735.6459 299.1448 -161787.8599 -109376.8226 299.6195 323.9774 350.7635 759441.3798 -7.7523 -7.8504 PRESSURE: 4263800 133.131 41.9449 -103.296 41.9439 454.352 42.003 -103.296 42.004 -153.892 GPRESSURE: 4263800 251.702 81.2032 -119.949 108.063 401.359 37.8414 -60.1513 -31.0248 -126.327 PRESSAVG: 4263800 -24.5478 -58.0138 -53.9084 -58.0138 35.5194 2.66226 -53.9084 2.66228 12.0048 GPRESSAVG: 4263800 -24.5157 -59.1905 -53.5437 -58.7632 36.6506 4.30924 -54.2611 0.504298 11.9243 TIMING: 4263800 CPU: 13790.4, 0.00313931/step Wall: 13790.4, 0.00313931/step, 0.641989 hours remaining, 235.996094 MB of memory in use. ENERGY: 4263800 3958.8706 20307.8600 14525.0730 259.1411 -203719.0226 2413.6541 0.0000 0.0000 52194.4875 -110059.9362 299.9624 -162254.4238 -109693.0145 298.4646 144.5302 175.5783 760732.4086 7.6588 8.0197 PRESSURE: 4264000 -415.278 -38.0097 38.6151 -38.01 -193.028 146.874 38.6162 146.873 246.738 GPRESSURE: 4264000 -366.728 -166.825 74.2728 -66.5853 -230.942 164.504 56.712 165.989 283.48 PRESSAVG: 4264000 -0.359963 -82.1427 -33.303 -82.1426 26.6964 64.7413 -33.303 64.7412 -29.4938 GPRESSAVG: 4264000 -1.90232 -83.6121 -33.8804 -81.0039 26.8193 63.6433 -32.0651 67.1332 -29.2523 TIMING: 4264000 CPU: 13791, 0.00314785/step Wall: 13791, 0.00314785/step, 0.643561 hours remaining, 236.066406 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: 4264000 3921.5494 20430.4981 14521.8690 240.9733 -203566.5720 2437.6556 0.0000 0.0000 51963.8745 -110050.1521 298.6371 -162014.0266 -109681.7596 297.9987 -120.5229 -104.7298 760361.0251 -1.0525 -1.4451 PRESSURE: 4264200 59.3839 -54.7606 148.501 -54.7602 -350.817 13.6888 148.501 13.6888 -226.974 GPRESSURE: 4264200 156.508 16.9107 155.286 -174.836 -278.222 -50.4803 117.927 -32.7103 -276.561 PRESSAVG: 4264200 9.3077 -57.4239 1.45694 -57.424 -25.4092 13.1763 1.45694 13.1763 31.1046 GPRESSAVG: 4264200 10.3336 -55.7692 0.984467 -57.655 -26.3676 11.967 1.61423 13.5116 31.1384 TIMING: 4264200 CPU: 13791.6, 0.00314709/step Wall: 13791.6, 0.00314709/step, 0.64323 hours remaining, 236.066406 MB of memory in use. ENERGY: 4264200 4055.2559 20466.4059 14416.7817 234.1961 -203345.7074 2437.8421 0.0000 0.0000 51800.0438 -109935.1821 297.6956 -161735.2259 -109574.2956 297.9670 -172.8024 -132.7583 760632.8530 5.0010 5.0348 LDB: ============= START OF LOAD BALANCING ============== 13804.1 LDB: ============== END OF LOAD BALANCING =============== 13804.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13804.1 LDB: ============= START OF LOAD BALANCING ============== 13804.4 LDB: Largest compute 7078 load 0.033927 is 17.4% of average load 0.195424 LDB: Average compute 0.004388 is 2.2% of average load 0.195424 LDB: TIME 13804.4 LOAD: AVG 0.195424 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 13804.4 LOAD: AVG 0.195424 MAX 0.215802 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 13804.4 LOAD: AVG 0.195424 MAX 0.215802 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 13804.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13804.4 PRESSURE: 4264400 58.2129 135.646 -156.761 135.647 46.1538 -48.1424 -156.761 -48.1412 119.531 GPRESSURE: 4264400 184.664 180.093 -173.748 40.0451 6.23329 -25.5995 -205.185 -125.735 125.643 PRESSAVG: 4264400 32.8144 -59.6068 35.4862 -59.6068 -63.4475 -42.0419 35.4862 -42.042 -10.5279 GPRESSAVG: 4264400 32.9485 -58.3835 34.5426 -61.3311 -61.9383 -40.0057 34.9403 -44.2601 -11.7116 TIMING: 4264400 CPU: 13792.3, 0.00323466/step Wall: 13792.3, 0.00323466/step, 0.660949 hours remaining, 234.625000 MB of memory in use. ENERGY: 4264400 3956.2838 20728.0658 14530.2795 239.6018 -203895.8909 2676.1903 0.0000 0.0000 51892.8099 -109872.6598 298.2287 -161765.4697 -109515.7185 298.5229 74.6326 105.5135 759353.6393 -13.7203 -13.5671 PRESSURE: 4264600 44.9269 -52.6554 -146.316 -52.6553 -190.349 33.3662 -146.317 33.3666 -199.676 GPRESSURE: 4264600 1.90077 -80.7027 -55.1504 -68.0483 -114.72 33.2183 -138.358 73.3789 -137.271 PRESSAVG: 4264600 44.1753 -1.51395 -32.6981 -1.51394 -36.2192 -12.0795 -32.6981 -12.0795 -39.1344 GPRESSAVG: 4264600 44.1659 -3.24419 -31.2329 0.838851 -36.5863 -11.2636 -32.0814 -11.6551 -38.5619 TIMING: 4264600 CPU: 13792.9, 0.00315467/step Wall: 13792.9, 0.00315467/step, 0.644429 hours remaining, 234.625000 MB of memory in use. ENERGY: 4264600 4028.5809 20430.7027 14431.4232 255.1587 -203536.2880 2687.1958 0.0000 0.0000 51790.2095 -109913.0171 297.6390 -161703.2267 -109542.6510 298.8323 -115.0324 -83.3634 759577.6299 -10.3928 -10.3275 PRESSURE: 4264800 -34.0704 -17.7713 4.01598 -17.7721 358.365 88.4331 4.01642 88.4335 -31.9958 GPRESSURE: 4264800 61.2056 71.5417 -21.99 -52.2078 309.558 170.586 -51.433 -56.7712 -6.10349 PRESSAVG: 4264800 31.9089 -9.89054 -44.4785 -9.89057 -37.0455 -14.5191 -44.4784 -14.5191 7.51609 GPRESSAVG: 4264800 30.8432 -7.75606 -45.1303 -11.622 -35.7809 -15.7702 -44.823 -14.7258 7.58351 TIMING: 4264800 CPU: 13793.5, 0.00315705/step Wall: 13793.5, 0.00315705/step, 0.64474 hours remaining, 234.625000 MB of memory in use. ENERGY: 4264800 4033.4952 20419.1499 14432.3690 273.3682 -203530.5374 2481.5014 0.0000 0.0000 51871.7513 -110018.9024 298.1077 -161890.6536 -109655.7554 298.2113 97.4329 121.5534 760027.3973 0.7932 0.8819 PRESSURE: 4265000 294.879 175.076 229.608 175.076 382.244 32.089 229.609 32.0882 562.795 GPRESSURE: 4265000 260.333 142.962 292.724 219.686 451.973 -85.2391 108.493 119.389 614.198 PRESSAVG: 4265000 21.8837 -24.2712 37.6243 -24.2712 -35.9374 -24.3627 37.6244 -24.3627 -7.30979 GPRESSAVG: 4265000 21.6795 -27.3905 39.7812 -23.5011 -37.6366 -24.6951 36.9884 -23.0044 -5.50662 TIMING: 4265000 CPU: 13794.2, 0.00315028/step Wall: 13794.2, 0.00315028/step, 0.643182 hours remaining, 234.625000 MB of memory in use. ENERGY: 4265000 3911.8839 20495.3913 14433.2871 248.4398 -204035.1398 2898.2075 0.0000 0.0000 51996.2757 -110051.6545 298.8233 -162047.9302 -109685.2671 298.2086 413.3061 442.1679 758237.3233 -7.1212 -7.1546 PRESSURE: 4265200 666.04 223.201 -40.3329 223.202 39.8371 357.03 -40.3317 357.032 -257.236 GPRESSURE: 4265200 569.306 175.621 -25.2345 161.499 116.832 289.32 -157.164 268.018 -167.233 PRESSAVG: 4265200 11.3123 -5.45665 -25.7203 -5.45664 8.65195 -2.25767 -25.7202 -2.25761 16.2961 GPRESSAVG: 4265200 11.3854 -4.21047 -26.109 -3.73595 9.76177 -3.60002 -25.4121 -1.30557 15.2856 TIMING: 4265200 CPU: 13794.8, 0.0031496/step Wall: 13794.8, 0.00314959/step, 0.642867 hours remaining, 234.625000 MB of memory in use. ENERGY: 4265200 3976.0446 20342.3240 14535.7142 241.5674 -204076.9078 3074.5537 0.0000 0.0000 51861.0091 -110045.6950 298.0459 -161906.7040 -109681.9412 298.1951 149.5471 172.9685 759158.7556 12.0868 12.1442 PRESSURE: 4265400 349.313 36.3288 405.504 36.3291 -104.298 46.6722 405.504 46.6724 -207.006 GPRESSURE: 4265400 300.122 -185.131 330.502 60.3762 43.8861 136.11 324.496 -36.1878 -208.845 PRESSAVG: 4265400 27.7192 -20.6813 -29.8451 -20.6813 34.492 -15.7342 -29.8451 -15.7342 -17.4987 GPRESSAVG: 4265400 28.1639 -19.9726 -31.6209 -21.1516 34.6418 -15.026 -32.0224 -16.2483 -17.6756 TIMING: 4265400 CPU: 13795.4, 0.0031569/step Wall: 13795.4, 0.0031569/step, 0.644183 hours remaining, 234.828125 MB of memory in use. ENERGY: 4265400 3889.0155 20508.5329 14497.4964 248.6114 -203632.4771 2629.1718 0.0000 0.0000 51875.3254 -109984.3236 298.1282 -161859.6490 -109615.8517 298.5127 12.6697 45.0543 761528.4890 14.9042 15.0434 PRESSURE: 4265600 356.584 -3.82318 51.6608 -3.8236 -14.7699 125.714 51.6614 125.713 141.669 GPRESSURE: 4265600 357.573 -41.9647 94.5814 -22.9675 94.4748 151.651 139.585 -112.388 115.623 PRESSAVG: 4265600 -4.19369 -26.3195 -3.38593 -26.3196 10.6099 10.3306 -3.38588 10.3307 -14.9517 GPRESSAVG: 4265600 -5.30941 -26.3628 -1.83215 -28.0096 11.3729 9.74504 -3.3187 9.68203 -14.7802 TIMING: 4265600 CPU: 13796.1, 0.00316156/step Wall: 13796.1, 0.00316156/step, 0.644958 hours remaining, 234.828125 MB of memory in use. ENERGY: 4265600 3863.4607 20533.7135 14558.7480 245.3967 -203891.0648 2594.9207 0.0000 0.0000 52069.6469 -110025.1783 299.2450 -162094.8252 -109660.9942 298.6217 161.1609 189.2236 760595.1782 -2.8452 -2.9056 PRESSURE: 4265800 363.631 18.1492 -78.2248 18.1487 425.308 322.602 -78.2243 322.603 -6.37178 GPRESSURE: 4265800 404.069 17.7317 -114.722 -30.6054 486.916 298.99 -34.9238 134.332 -21.8429 PRESSAVG: 4265800 54.8053 -18.5427 1.17555 -18.5427 0.0167983 -41.7686 1.17548 -41.7686 9.6421 GPRESSAVG: 4265800 54.4017 -17.5268 -0.884944 -17.5862 -1.29031 -40.8921 4.93658 -42.8039 11.1116 TIMING: 4265800 CPU: 13796.7, 0.00317232/step Wall: 13796.7, 0.00317232/step, 0.646977 hours remaining, 234.828125 MB of memory in use. ENERGY: 4265800 3999.1429 20447.4216 14541.0148 230.1894 -203714.6457 2498.1488 0.0000 0.0000 51861.1152 -110137.6129 298.0465 -161998.7281 -109774.8549 298.2083 260.8559 289.7142 760470.5723 21.4881 21.4077 PRESSURE: 4266000 214.235 -220.861 -6.65737 -220.86 -303.905 -43.5086 -6.65727 -43.5086 166.351 GPRESSURE: 4266000 147.26 -201.808 -30.7397 -188.328 -198.975 12.8536 -59.8431 -26.8643 207.269 PRESSAVG: 4266000 29.29 -21.7257 -48.1513 -21.7257 -16.1301 -10.6837 -48.1514 -10.6838 1.47264 GPRESSAVG: 4266000 30.0662 -23.0618 -46.5504 -21.447 -15.7494 -10.2426 -49.6535 -9.1339 0.270876 TIMING: 4266000 CPU: 13797.3, 0.00316954/step Wall: 13797.3, 0.00316954/step, 0.646235 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4266000 4106.0149 20537.3093 14486.5829 226.5679 -203821.7005 2760.5031 0.0000 0.0000 51751.6561 -109953.0663 297.4175 -161704.7224 -109594.1918 298.4007 25.5604 51.8512 761608.2129 4.8775 4.8625 PRESSURE: 4266200 22.0779 -65.5021 -107.55 -65.5014 354.054 4.26367 -107.551 4.26408 -153.518 GPRESSURE: 4266200 175.933 -172.666 -180.927 -18.5234 329.321 12.1965 -38.0441 0.717878 -208.375 PRESSAVG: 4266200 29.1046 16.6471 -52.0874 16.6471 -20.3015 18.3701 -52.0873 18.3701 19.8441 GPRESSAVG: 4266200 30.3039 17.0793 -52.5514 14.3289 -21.0116 17.0116 -54.6879 17.8552 19.9798 TIMING: 4266200 CPU: 13798, 0.00315689/step Wall: 13798, 0.00315689/step, 0.643479 hours remaining, 234.828125 MB of memory in use. ENERGY: 4266200 4008.0369 20586.6578 14598.4530 232.0934 -203747.3696 2368.4087 0.0000 0.0000 52086.0239 -109867.6959 299.3391 -161953.7198 -109508.3434 298.7124 74.2048 98.9595 760132.6174 9.5491 9.7574 PRESSURE: 4266400 -394.807 14.1961 -96.0213 14.1959 -170.099 -246.58 -96.0214 -246.58 147.645 GPRESSURE: 4266400 -415.34 87.4424 -79.8921 66.9474 -82.4067 -296.157 -0.203368 -126.688 163.519 PRESSAVG: 4266400 -12.7853 -11.9748 -4.55606 -11.9748 27.1233 -67.3673 -4.5561 -67.3673 15.5434 GPRESSAVG: 4266400 -13.8927 -11.2125 -5.55166 -7.97598 28.8848 -64.7578 -1.73391 -67.8354 15.1295 TIMING: 4266400 CPU: 13798.6, 0.00312459/step Wall: 13798.6, 0.00312459/step, 0.636722 hours remaining, 234.828125 MB of memory in use. ENERGY: 4266400 4105.1655 20426.8266 14502.6900 252.9659 -203373.4889 2213.0595 0.0000 0.0000 52145.6360 -109727.1454 299.6817 -161872.7814 -109354.9846 299.2760 -139.0870 -111.4094 760748.0296 9.9605 10.0405 PRESSURE: 4266600 159.109 45.0967 -106.839 45.0968 35.6665 -83.2985 -106.84 -83.2998 191.517 GPRESSURE: 4266600 206.736 65.7926 -102.125 -26.7157 44.7147 21.7095 -72.543 -121.259 224.004 PRESSAVG: 4266600 -0.611886 -15.2774 -74.081 -15.2774 3.54833 -27.5794 -74.081 -27.5794 7.63572 GPRESSAVG: 4266600 1.16288 -15.4113 -72.7841 -16.8812 2.42735 -28.2501 -74.6374 -29.1241 6.82155 TIMING: 4266600 CPU: 13799.2, 0.0031123/step Wall: 13799.2, 0.0031123/step, 0.634046 hours remaining, 234.828125 MB of memory in use. ENERGY: 4266600 3997.0479 20558.4400 14590.4098 259.1345 -203994.9498 2632.2110 0.0000 0.0000 52087.0878 -109870.6186 299.3452 -161957.7065 -109493.1704 299.0431 128.7641 158.4849 760274.7389 3.5241 3.4706 PRESSURE: 4266800 -368.26 170.922 -104.821 170.922 -210.97 -224.252 -104.822 -224.252 -539.658 GPRESSURE: 4266800 -251.85 52.3148 -146.582 194.549 -222.077 -187.186 -45.1363 -181.657 -549.632 PRESSAVG: 4266800 -7.11104 2.28776 -57.7031 2.2878 17.5276 -24.9474 -57.703 -24.9474 -9.69046 GPRESSAVG: 4266800 -8.16191 2.59337 -56.4837 0.297591 17.4899 -24.4976 -57.82 -22.6954 -8.64753 TIMING: 4266800 CPU: 13799.8, 0.00313086/step Wall: 13799.8, 0.00313086/step, 0.637652 hours remaining, 234.828125 MB of memory in use. ENERGY: 4266800 3962.7283 20491.2058 14477.6138 240.4403 -203292.5161 2395.3094 0.0000 0.0000 51892.6820 -109832.5365 298.2280 -161725.2185 -109473.1210 298.9086 -372.9629 -341.1861 761954.6998 0.2420 0.2268 PRESSURE: 4267000 -305.496 -82.2271 24.4039 -82.2266 -523.861 88.6227 24.4026 88.6233 -89.6998 GPRESSURE: 4267000 -291.268 -1.13626 68.6835 78.0681 -493.898 -9.59571 46.4378 33.8556 -47.7652 PRESSAVG: 4267000 4.86248 19.2915 -20.7714 19.2915 -10.9757 -9.56596 -20.7715 -9.56605 -0.254611 GPRESSAVG: 4267000 5.59169 16.6974 -19.3731 23.5254 -10.8498 -11.229 -21.1859 -12.1144 -0.945988 TIMING: 4267000 CPU: 13800.5, 0.0031342/step Wall: 13800.5, 0.0031342/step, 0.638158 hours remaining, 234.828125 MB of memory in use. ENERGY: 4267000 4074.5273 20734.8269 14465.4041 252.6900 -203526.3696 2195.0136 0.0000 0.0000 51866.9027 -109937.0051 298.0798 -161803.9079 -109582.3079 299.1204 -306.3523 -277.6438 759561.5024 -2.1226 -2.0680 PRESSURE: 4267200 405.443 -54.847 -136.697 -54.847 12.8499 220.954 -136.697 220.955 213.698 GPRESSURE: 4267200 438.357 -50.202 -94.6869 -129.218 61.8839 223.035 -202.245 117.642 200.221 PRESSAVG: 4267200 34.1639 -38.2972 -35.1368 -38.2972 -15.7333 -30.362 -35.1368 -30.362 -0.465686 GPRESSAVG: 4267200 33.5672 -37.245 -37.2437 -39.959 -15.6306 -30.9154 -34.172 -28.8932 -0.174727 TIMING: 4267200 CPU: 13801.1, 0.00313363/step Wall: 13801.1, 0.00313363/step, 0.637867 hours remaining, 234.828125 MB of memory in use. ENERGY: 4267200 3926.2304 20441.8746 14506.2989 218.5230 -204033.2529 2768.6177 0.0000 0.0000 52080.2951 -110091.4132 299.3062 -162171.7083 -109725.0729 298.6903 210.6639 233.4875 757255.0935 5.9883 5.9206 PRESSURE: 4267400 126.267 38.5107 160.032 38.5107 -214.156 -384.122 160.031 -384.122 420.808 GPRESSURE: 4267400 90.3531 5.63556 162.473 -133.701 -28.3486 -365.474 -16.9847 -374.22 355.814 PRESSAVG: 4267400 13.2771 -4.87706 13.7872 -4.87707 28.2236 -55.7713 13.7872 -55.7714 -8.42589 GPRESSAVG: 4267400 13.3468 -6.42551 12.4124 -7.13988 28.6546 -53.9239 14.2452 -55.4099 -8.8279 TIMING: 4267400 CPU: 13801.7, 0.00314638/step Wall: 13801.7, 0.00314638/step, 0.640289 hours remaining, 234.828125 MB of memory in use. ENERGY: 4267400 3926.3908 20705.6243 14521.1822 257.2132 -203613.4363 2601.7816 0.0000 0.0000 51668.0724 -109933.1719 296.9371 -161601.2443 -109569.7807 298.2682 110.9733 139.2730 759294.5407 11.0249 11.0578 PRESSURE: 4267600 -67.9347 -127.44 -175.242 -127.439 113.017 -131.752 -175.241 -131.751 -176.141 GPRESSURE: 4267600 -32.4181 -39.6245 -99.0867 -209.998 190.078 -95.2359 -191.658 -68.8307 -222.6 PRESSAVG: 4267600 27.8837 -15.1224 3.91201 -15.1224 -32.1414 -27.8002 3.91202 -27.8002 -0.58653 GPRESSAVG: 4267600 27.939 -13.3464 5.81368 -13.4471 -31.7232 -28.6659 1.06754 -27.8646 -0.712743 TIMING: 4267600 CPU: 13802.4, 0.00313576/step Wall: 13802.4, 0.00313576/step, 0.637954 hours remaining, 234.828125 MB of memory in use. ENERGY: 4267600 3939.3857 20525.6032 14546.4056 241.4746 -203609.3281 2247.0529 0.0000 0.0000 52085.7240 -110023.6822 299.3374 -162109.4062 -109645.8829 298.5179 -43.6863 -21.6467 760045.0531 -1.6147 -1.4990 PRESSURE: 4267800 -102.529 -217.453 155.004 -217.454 89.9748 93.0337 155.003 93.0339 70.7047 GPRESSURE: 4267800 -32.6326 -228.536 120.074 -166.58 64.2774 18.6696 70.9575 112.075 98.4738 PRESSAVG: 4267800 -14.7853 -25.0685 -11.8285 -25.0685 22.9786 -16.9877 -11.8285 -16.9876 12.9624 GPRESSAVG: 4267800 -13.9949 -26.9357 -12.2985 -25.2817 22.1286 -15.3969 -8.92632 -17.6434 12.7863 TIMING: 4267800 CPU: 13803, 0.0031476/step Wall: 13803, 0.0031476/step, 0.640188 hours remaining, 234.828125 MB of memory in use. ENERGY: 4267800 3961.5520 20665.1661 14502.3424 235.9136 -204202.6802 2876.8038 0.0000 0.0000 51997.0846 -109963.8176 298.8280 -161960.9022 -109600.0739 298.1533 19.3836 43.3729 761323.5235 7.0519 6.9734 PRESSURE: 4268000 223.169 56.0361 65.1998 56.0367 -363.083 -66.9675 65.2006 -66.9671 -285.942 GPRESSURE: 4268000 212.506 -46.4484 -49.7895 132.452 -310.922 18.3822 61.405 -87.0818 -251.02 PRESSAVG: 4268000 7.80562 -44.4426 22.6575 -44.4426 4.15987 -26.2336 22.6575 -26.2335 0.64818 GPRESSAVG: 4268000 7.18184 -43.8733 22.7138 -44.4984 4.48942 -27.3154 23.5382 -26.0214 0.756159 TIMING: 4268000 CPU: 13803.6, 0.00315952/step Wall: 13803.6, 0.00315952/step, 0.642436 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4268000 3929.4177 20576.7402 14463.8765 253.2782 -204305.0811 2767.4065 0.0000 0.0000 52225.9110 -110088.4511 300.1430 -162314.3621 -109725.1350 298.6474 -141.9520 -116.4787 760900.3540 4.2046 4.1425 PRESSURE: 4268200 -116.341 -0.809375 79.0303 -0.809337 -259.026 22.2161 79.0309 22.2159 88.3988 GPRESSURE: 4268200 -122.666 -29.4697 85.7226 26.5285 -173.582 119.367 109.069 22.2023 93.1872 PRESSAVG: 4268200 -22.5181 -1.38881 28.394 -1.38889 -21.224 -37.7394 28.3939 -37.7393 2.36874 GPRESSAVG: 4268200 -23.4575 -2.25451 28.0531 -0.601966 -21.2949 -37.6849 26.7 -37.874 3.27809 TIMING: 4268200 CPU: 13804.3, 0.00319521/step Wall: 13804.3, 0.00319521/step, 0.649515 hours remaining, 234.828125 MB of memory in use. ENERGY: 4268200 3957.1766 20521.1672 14414.6167 230.4369 -203542.6653 2308.0199 0.0000 0.0000 52201.7499 -109909.4982 300.0042 -162111.2481 -109535.7026 298.4850 -95.6562 -67.6868 759830.9955 -13.7911 -13.8248 LDB: ============= START OF LOAD BALANCING ============== 13816.7 LDB: ============== END OF LOAD BALANCING =============== 13816.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13816.7 LDB: ============= START OF LOAD BALANCING ============== 13817 LDB: Largest compute 7078 load 0.031230 is 16.0% of average load 0.195534 LDB: Average compute 0.004385 is 2.2% of average load 0.195534 LDB: TIME 13817 LOAD: AVG 0.195534 MAX 0.212721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 13817 LOAD: AVG 0.195534 MAX 0.212721 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: TIME 13817 LOAD: AVG 0.195534 MAX 0.212721 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: ============== END OF LOAD BALANCING =============== 13817 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13817 PRESSURE: 4268400 164.906 -127.243 357.67 -127.242 -73.4713 84.4506 357.669 84.4504 14.655 GPRESSURE: 4268400 238.761 -170.964 316.013 -71.6389 -28.7885 94.2343 312.982 37.5729 0.550528 PRESSAVG: 4268400 22.1083 7.60395 0.858016 7.604 -54.5319 -22.1283 0.858014 -22.1283 22.7565 GPRESSAVG: 4268400 22.7129 7.51939 2.26737 5.50245 -55.2792 -22.1546 -0.322711 -20.8424 22.876 TIMING: 4268400 CPU: 13804.9, 0.00323156/step Wall: 13804.9, 0.00323156/step, 0.656725 hours remaining, 236.093750 MB of memory in use. ENERGY: 4268400 3934.6227 20533.9141 14496.1742 258.0704 -203827.8535 2603.6707 0.0000 0.0000 52014.1032 -109987.2982 298.9258 -162001.4014 -109627.6152 298.2673 35.3634 70.1745 758502.6545 -3.2223 -3.2301 PRESSURE: 4268600 392.882 -23.0059 -131.542 -23.006 -46.211 168.834 -131.542 168.833 -63.0233 GPRESSURE: 4268600 375.256 -43.8054 -55.5727 -42.6357 8.80696 94.6012 -56.7587 251.979 -5.03355 PRESSAVG: 4268600 -33.1571 -55.5932 20.8052 -55.5932 54.0092 -13.0521 20.8051 -13.0521 -18.0892 GPRESSAVG: 4268600 -32.7507 -54.0897 19.8769 -54.3403 54.5345 -14.3497 23.4982 -12.3681 -19.4297 TIMING: 4268600 CPU: 13805.5, 0.00315023/step Wall: 13805.5, 0.00315023/step, 0.640022 hours remaining, 236.093750 MB of memory in use. ENERGY: 4268600 3969.1293 20534.4528 14460.0714 236.6759 -203626.1286 2698.7916 0.0000 0.0000 51802.9351 -109924.0725 297.7122 -161727.0076 -109560.5231 298.0925 94.5494 126.3431 757047.8233 0.9210 0.7847 PRESSURE: 4268800 64.8559 -166.727 -53.1155 -166.727 -310.483 -336.953 -53.1166 -336.953 -187.613 GPRESSURE: 4268800 -15.3672 -167.749 -35.2217 -146.244 -113.557 -235.61 -86.3118 -202.12 -219.295 PRESSAVG: 4268800 -4.35773 -59.266 -12.998 -59.2661 -46.6518 -44.7101 -12.998 -44.7102 5.57647 GPRESSAVG: 4268800 -4.91027 -59.5514 -12.2746 -59.7927 -47.8365 -43.0725 -15.1334 -45.2001 6.83822 TIMING: 4268800 CPU: 13806.2, 0.00314476/step Wall: 13806.2, 0.00314476/step, 0.638736 hours remaining, 236.093750 MB of memory in use. ENERGY: 4268800 3965.6935 20490.4397 14530.8459 242.6224 -203689.1676 2561.8006 0.0000 0.0000 51822.4793 -110075.2862 297.8245 -161897.7655 -109706.8060 298.2909 -144.4132 -116.0729 761055.5329 -15.1443 -15.3029 PRESSURE: 4269000 -71.036 -167.654 119.379 -167.654 -196.211 142.64 119.38 142.64 -21.6173 GPRESSURE: 4269000 -64.535 -182.29 99.2969 -106.599 -158.434 209.569 73.8211 69.1927 27.1405 PRESSAVG: 4269000 63.1486 -84.2654 14.3178 -84.2655 -0.544305 2.13144 14.3178 2.13147 -8.47808 GPRESSAVG: 4269000 63.5322 -83.1939 13.9729 -86.0906 0.242525 1.11678 15.2407 0.623452 -9.44619 TIMING: 4269000 CPU: 13806.8, 0.00317547/step Wall: 13806.8, 0.00317547/step, 0.644798 hours remaining, 236.093750 MB of memory in use. ENERGY: 4269000 4048.6057 20524.9180 14469.3906 259.9868 -203565.0583 2235.3838 0.0000 0.0000 51707.5574 -110319.2161 297.1640 -162026.7735 -109960.9668 297.5766 -96.2881 -65.2763 759194.2548 18.0421 18.1095 PRESSURE: 4269200 -235.777 -3.11597 125.853 -3.11639 119.097 99.3803 125.853 99.3807 61.3208 GPRESSURE: 4269200 -184.853 68.4127 121.603 -72.8623 105.074 58.6728 72.3029 54.4491 121.475 PRESSAVG: 4269200 15.8758 -38.6614 64.431 -38.6614 29.9228 53.1564 64.431 53.1564 0.816473 GPRESSAVG: 4269200 15.8314 -38.2911 63.337 -38.0309 29.4336 54.5003 64.4431 54.1625 1.78633 TIMING: 4269200 CPU: 13807.4, 0.00313198/step Wall: 13807.4, 0.00313198/step, 0.635793 hours remaining, 236.093750 MB of memory in use. ENERGY: 4269200 3988.1322 20452.2983 14367.9506 237.8790 -204097.3809 2934.0056 0.0000 0.0000 51945.6878 -110171.4275 298.5326 -162117.1153 -109810.3355 297.7639 -18.4529 13.8987 760209.0426 15.5384 15.6838 PRESSURE: 4269400 376.969 -166.373 -46.1292 -166.373 41.693 -96.0086 -46.129 -96.0087 160.185 GPRESSURE: 4269400 374.825 -102.816 -6.45912 -157.92 88.41 -146.812 -125.978 -53.346 186.006 PRESSAVG: 4269400 21.5351 6.07411 -16.9099 6.07414 -16.45 -35.7706 -16.9099 -35.7707 15.1964 GPRESSAVG: 4269400 21.8431 5.0191 -18.3565 7.39216 -17.7449 -36.6255 -16.1032 -36.4467 16.2325 TIMING: 4269400 CPU: 13808, 0.00313672/step Wall: 13808, 0.00313672/step, 0.63658 hours remaining, 236.093750 MB of memory in use. ENERGY: 4269400 3938.4393 20577.0680 14412.9289 242.5161 -203836.6676 2621.2008 0.0000 0.0000 51929.1677 -110115.3469 298.4376 -162044.5146 -109752.2988 298.0370 192.9491 216.4136 759882.1111 6.7605 6.7769 PRESSURE: 4269600 107.811 -14.3607 196.34 -14.3608 333.293 55.7234 196.339 55.7239 195.903 GPRESSURE: 4269600 153.579 29.1959 199.581 77.3932 336.044 58.4458 88.9272 85.2321 232.837 PRESSAVG: 4269600 5.42606 -11.3195 -24.423 -11.3195 44.9245 19.2461 -24.423 19.2461 10.9694 GPRESSAVG: 4269600 4.05183 -12.0822 -20.9728 -10.1275 45.8856 22.2284 -26.9248 18.5587 10.5471 TIMING: 4269600 CPU: 13808.7, 0.00312198/step Wall: 13808.7, 0.00312198/step, 0.633415 hours remaining, 236.093750 MB of memory in use. ENERGY: 4269600 3961.4598 20501.1306 14417.3061 255.4172 -203806.2478 2495.2335 0.0000 0.0000 52006.3962 -110169.3044 298.8815 -162175.7006 -109817.4376 298.1469 212.3356 240.8201 760516.1395 20.4400 20.1615 PRESSURE: 4269800 -346.686 177.039 -273.863 177.039 -525.382 -15.7451 -273.864 -15.746 -233.972 GPRESSURE: 4269800 -372.705 148.567 -195.462 194.781 -444.009 8.25661 -158.975 92.3421 -206.745 PRESSAVG: 4269800 7.92148 17.9585 3.06797 17.9585 -12.8587 -46.4778 3.06798 -46.4779 -4.85723 GPRESSAVG: 4269800 8.56656 19.3485 2.21148 15.1587 -12.5445 -48.6266 3.62927 -43.4426 -5.38773 TIMING: 4269800 CPU: 13809.3, 0.00320711/step Wall: 13809.3, 0.00320711/step, 0.650509 hours remaining, 236.304688 MB of memory in use. ENERGY: 4269800 4082.4790 20549.5935 14433.0161 230.4697 -203455.0397 2296.4311 0.0000 0.0000 51688.7087 -110174.3416 297.0557 -161863.0502 -109816.7410 298.4834 -368.6801 -341.1533 760994.9661 -3.2648 -3.1219 PRESSURE: 4270000 -21.4949 11.1989 36.1574 11.199 -276.485 117.895 36.1583 117.894 -332.486 GPRESSURE: 4270000 -75.4952 -49.4541 -14.0816 9.24696 -145.415 92.5365 23.9164 -1.01504 -322.593 PRESSAVG: 4270000 36.8181 -51.0237 -21.3887 -51.0237 -18.8633 -28.721 -21.3887 -28.7211 -12.6206 GPRESSAVG: 4270000 37.0074 -51.4475 -20.5076 -49.6314 -18.8036 -29.52 -21.6674 -29.8655 -13.3152 TIMING: 4270000 CPU: 13810, 0.00319506/step Wall: 13810, 0.00319506/step, 0.647888 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4270000 3988.1424 20552.5059 14488.4787 238.5557 -203828.6953 2690.6823 0.0000 0.0000 51886.9383 -109983.3920 298.1949 -161870.3303 -109628.0104 298.2717 -210.1552 -181.1676 761746.8630 1.7781 1.6295 PRESSURE: 4270200 20.7097 -75.7656 205.258 -75.7658 -7.90208 -269.128 205.259 -269.129 507.093 GPRESSURE: 4270200 140.562 -95.573 182.431 101.363 -36.9594 -274.863 301.315 -247.262 478.303 PRESSAVG: 4270200 94.6554 -0.17965 2.07094 -0.179552 -111.147 -17.5949 2.07093 -17.5949 11.1295 GPRESSAVG: 4270200 94.5575 -0.647545 1.89746 -1.14528 -111.365 -16.877 0.955454 -19.4523 11.3295 TIMING: 4270200 CPU: 13810.6, 0.00318082/step Wall: 13810.6, 0.00318082/step, 0.644822 hours remaining, 236.304688 MB of memory in use. ENERGY: 4270200 3992.7998 20597.0401 14419.8631 258.6409 -203508.1830 2558.1298 0.0000 0.0000 51686.2368 -109995.4726 297.0415 -161681.7094 -109638.5408 297.9856 173.3001 193.9688 761622.6175 -1.7872 -1.8260 PRESSURE: 4270400 -212.23 -136.366 61.3329 -136.366 15.8713 -70.4574 61.3329 -70.4553 -227.741 GPRESSURE: 4270400 -196.641 -177.531 41.0811 -129.385 -28.3196 -98.8796 172.026 33.2471 -136.321 PRESSAVG: 4270400 31.3354 -27.658 -11.8745 -27.658 -2.66317 2.85902 -11.8745 2.85905 3.27987 GPRESSAVG: 4270400 30.8737 -26.2134 -13.2935 -26.9054 -3.52089 1.74411 -9.35539 3.95216 4.51366 TIMING: 4270400 CPU: 13811.2, 0.00317089/step Wall: 13811.2, 0.00317089/step, 0.642635 hours remaining, 236.304688 MB of memory in use. ENERGY: 4270400 4056.3669 20368.3515 14485.8175 251.3554 -203611.2416 2486.4916 0.0000 0.0000 51943.5676 -110019.2912 298.5204 -161962.8588 -109652.3433 297.9099 -141.3665 -120.4273 761748.9078 10.6507 10.6222 PRESSURE: 4270600 149.484 -33.2089 -349.361 -33.2085 -232.566 99.7113 -349.361 99.7125 -38.0276 GPRESSURE: 4270600 188.168 -68.6193 -374.813 -64.6256 -217.113 89.6535 -198.478 142.462 24.5941 PRESSAVG: 4270600 1.03955 -63.1265 6.73666 -63.1265 -58.8553 19.2409 6.7367 19.241 -15.0079 GPRESSAVG: 4270600 0.0516657 -62.4545 6.39966 -65.679 -57.8275 20.6418 8.44914 18.1244 -15.0625 TIMING: 4270600 CPU: 13811.9, 0.00318843/step Wall: 13811.9, 0.00318843/step, 0.646012 hours remaining, 236.304688 MB of memory in use. ENERGY: 4270600 3971.4962 20414.1617 14455.1185 238.7603 -203393.7998 2473.6954 0.0000 0.0000 51710.7218 -110129.8459 297.1822 -161840.5677 -109761.7942 298.0087 -40.3698 -1.4502 761086.8847 -24.2745 -24.2794 PRESSURE: 4270800 -493.074 -67.8056 78.3388 -67.8059 -280.096 -148.084 78.3386 -148.085 -62.0083 GPRESSURE: 4270800 -443.144 -135.883 159.265 -77.5443 -253.048 -89.9012 87.8937 -16.6012 -55.5169 PRESSAVG: 4270800 9.50871 -41.2729 -18.0428 -41.2729 3.41866 -7.5701 -18.0428 -7.57019 5.98498 GPRESSAVG: 4270800 9.2037 -43.5545 -17.7102 -38.803 3.71296 -7.30863 -19.0033 -5.22114 5.46673 TIMING: 4270800 CPU: 13812.5, 0.00319979/step Wall: 13812.5, 0.00319979/step, 0.648136 hours remaining, 236.304688 MB of memory in use. ENERGY: 4270800 3884.0427 20489.3821 14414.0089 278.9694 -203120.8520 2230.4210 0.0000 0.0000 51796.4661 -110027.5619 297.6750 -161824.0280 -109658.6055 298.1371 -278.3925 -250.5697 759656.4719 6.3041 6.1278 PRESSURE: 4271000 -176.646 33.2971 -298.349 33.2973 130.794 13.9808 -298.349 13.9815 -218.126 GPRESSURE: 4271000 -97.3938 161.547 -326.463 -71.6786 84.4288 -17.596 -290.398 -60.2688 -175.545 PRESSAVG: 4271000 -25.9538 22.627 -25.6885 22.6269 5.05278 -39.0693 -25.6886 -39.0693 19.7121 GPRESSAVG: 4271000 -25.3187 21.3148 -24.6785 22.7488 4.32219 -40.1187 -25.886 -40.0673 19.0231 TIMING: 4271000 CPU: 13813.1, 0.00316924/step Wall: 13813.1, 0.00316924/step, 0.641771 hours remaining, 236.304688 MB of memory in use. ENERGY: 4271000 3975.3324 20759.2316 14490.7221 248.6678 -203521.3440 2378.5135 0.0000 0.0000 51743.2324 -109925.6442 297.3691 -161668.8766 -109575.0937 298.0268 -87.9926 -62.8368 759897.4238 -0.3963 -0.6578 PRESSURE: 4271200 46.1495 -4.16461 -153.247 -4.16478 75.2008 -75.044 -153.248 -75.044 150.52 GPRESSURE: 4271200 37.8493 -6.90472 -192.531 -11.2269 159.893 -141.182 -161.186 -6.03912 165.2 PRESSAVG: 4271200 6.3776 16.8131 2.89868 16.8131 38.5643 17.2711 2.89867 17.2712 -7.15309 GPRESSAVG: 4271200 5.3817 19.0651 1.18882 17.3689 38.1921 17.9352 3.66211 16.6255 -5.4196 TIMING: 4271200 CPU: 13813.8, 0.0031506/step Wall: 13813.8, 0.0031506/step, 0.637822 hours remaining, 236.304688 MB of memory in use. ENERGY: 4271200 4139.7672 20422.2790 14437.3172 242.7096 -203414.5459 2598.0628 0.0000 0.0000 51909.9224 -109664.4877 298.3270 -161574.4102 -109308.4700 298.3048 90.6233 120.9808 758233.7779 12.5963 12.7181 PRESSURE: 4271400 -262.823 21.5034 213.014 21.5031 -47.2475 -158.878 213.015 -158.877 -101.791 GPRESSURE: 4271400 -182.547 -102.196 204.92 -115.179 -56.3842 -127.667 217.102 -149.34 -85.3599 PRESSAVG: 4271400 -8.24925 36.7223 -0.792158 36.7224 34.3428 -52.4682 -0.79217 -52.4683 31.133 GPRESSAVG: 4271400 -6.88332 35.3042 1.65915 34.8965 34.7724 -51.1436 -2.58503 -52.1193 29.5745 TIMING: 4271400 CPU: 13814.4, 0.00319503/step Wall: 13814.4, 0.00319503/step, 0.646639 hours remaining, 236.304688 MB of memory in use. ENERGY: 4271400 3922.2770 20599.3035 14406.7763 243.2848 -203291.1127 2337.4168 0.0000 0.0000 52102.9609 -109679.0934 299.4364 -161782.0543 -109319.4131 298.9067 -137.2873 -108.0970 759812.5052 19.0755 19.1545 PRESSURE: 4271600 204.616 12.7232 136.418 12.7232 214.304 -11.9331 136.418 -11.9322 -82.5939 GPRESSURE: 4271600 297.319 -83.5368 63.0776 26.8831 181.664 -42.3192 141.858 -52.9559 -57.9296 PRESSAVG: 4271600 4.99187 18.6798 -24.113 18.6798 -29.2659 -41.625 -24.113 -41.625 -10.3499 GPRESSAVG: 4271600 5.82584 17.2866 -24.366 21.3092 -30.1193 -44.3512 -24.9818 -41.8196 -10.6643 TIMING: 4271600 CPU: 13815, 0.00320904/step Wall: 13815, 0.00320904/step, 0.649295 hours remaining, 236.304688 MB of memory in use. ENERGY: 4271600 3979.8271 20363.0418 14418.8089 251.6638 -203529.2895 2582.1010 0.0000 0.0000 52066.0109 -109867.8360 299.2241 -161933.8469 -109491.5647 299.1282 112.1086 140.3511 759005.0343 -11.5413 -11.6526 PRESSURE: 4271800 243.886 137.988 33.4184 137.988 71.5953 59.4487 33.4185 59.4486 214.488 GPRESSURE: 4271800 321.569 41.8054 39.016 80.5239 168.787 154.868 40.9082 93.0362 122.875 PRESSAVG: 4271800 62.1141 -13.7414 31.8945 -13.7415 -59.2941 -31.331 31.8945 -31.3309 3.87084 GPRESSAVG: 4271800 60.1381 -12.9751 31.6653 -12.7757 -58.4477 -30.2 30.8807 -29.1686 5.15783 TIMING: 4271800 CPU: 13815.7, 0.00318484/step Wall: 13815.7, 0.00318484/step, 0.644223 hours remaining, 236.304688 MB of memory in use. ENERGY: 4271800 4023.5889 20416.8644 14468.2033 242.5284 -203805.6975 2813.0927 0.0000 0.0000 52062.4755 -109778.9443 299.2038 -161841.4197 -109416.2485 298.8297 176.6563 204.4102 757676.7737 2.2303 2.2827 PRESSURE: 4272000 -68.4791 113.636 83.6406 113.636 -387.893 291.668 83.641 291.669 -65.2762 GPRESSURE: 4272000 -15.1389 85.4025 27.3749 91.0641 -447.168 323.901 194.127 204.924 4.15014 PRESSAVG: 4272000 59.2518 13.4783 17.3321 13.4783 -39.0563 14.4604 17.3321 14.4604 15.6399 GPRESSAVG: 4272000 59.8823 14.8418 17.4662 13.1003 -38.7256 15.2489 19.3506 12.128 14.7997 TIMING: 4272000 CPU: 13816.3, 0.00319746/step Wall: 13816.3, 0.00319746/step, 0.646598 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4272000 4003.8301 20617.6637 14371.6336 239.6931 -203243.5423 2331.8833 0.0000 0.0000 52106.3728 -109572.4657 299.4560 -161678.8385 -109223.2912 299.6073 -173.8828 -152.7189 759066.2108 11.9451 11.9854 PRESSURE: 4272200 -376.247 199.473 -129.965 199.474 -245.717 69.84 -129.966 69.8405 34.6849 GPRESSURE: 4272200 -392.226 159.511 -78.1941 175.731 -186.703 85.4411 -142.131 72.6663 60.0592 PRESSAVG: 4272200 -26.8168 63.6099 -27.0942 63.61 28.6895 -3.74016 -27.0941 -3.74006 14.6957 GPRESSAVG: 4272200 -26.5318 63.2419 -26.5865 61.4554 27.7322 -3.19657 -25.8059 -3.61595 15.0086 TIMING: 4272200 CPU: 13817, 0.00320498/step Wall: 13817, 0.00320498/step, 0.647941 hours remaining, 236.304688 MB of memory in use. ENERGY: 4272200 4034.4804 20585.2161 14430.3207 232.8377 -203112.6470 2203.3345 0.0000 0.0000 51868.2113 -109758.2462 298.0873 -161626.4575 -109406.6691 299.1958 -195.7594 -172.9567 760261.4393 5.5228 5.4030 LDB: ============= START OF LOAD BALANCING ============== 13829.4 LDB: ============== END OF LOAD BALANCING =============== 13829.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13829.4 LDB: ============= START OF LOAD BALANCING ============== 13829.7 LDB: Largest compute 7033 load 0.031443 is 16.1% of average load 0.195522 LDB: Average compute 0.004385 is 2.2% of average load 0.195522 LDB: TIME 13829.7 LOAD: AVG 0.195522 MAX 0.214359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 13829.7 LOAD: AVG 0.195522 MAX 0.214359 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: TIME 13829.7 LOAD: AVG 0.195522 MAX 0.214359 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: ============== END OF LOAD BALANCING =============== 13829.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13829.7 PRESSURE: 4272400 205.44 101.985 327.186 101.985 236.634 4.76971 327.186 4.77135 156.881 GPRESSURE: 4272400 248.612 151.453 367.86 25.9708 249.844 -16.0501 171.637 54.1451 174.955 PRESSAVG: 4272400 -50.6044 7.27475 28.2098 7.27478 -18.3686 -72.4373 28.2098 -72.4373 -5.2946 GPRESSAVG: 4272400 -50.3654 7.22444 26.5181 7.55354 -16.2036 -74.5138 29.2164 -71.5291 -6.82811 TIMING: 4272400 CPU: 13817.6, 0.00322689/step Wall: 13817.6, 0.00322689/step, 0.65219 hours remaining, 234.421875 MB of memory in use. ENERGY: 4272400 3999.0943 20629.4046 14369.9587 242.4863 -203319.3597 2364.5713 0.0000 0.0000 51991.6654 -109722.1791 298.7968 -161713.8445 -109362.0076 299.2001 199.6514 224.4705 759543.0983 -24.7558 -24.4657 PRESSURE: 4272600 78.54 -97.1618 2.58534 -97.1614 -210.723 -80.9342 2.58536 -80.9339 -146.529 GPRESSURE: 4272600 149.169 -42.1029 71.076 -57.5713 -201.536 -80.9777 13.5989 0.318206 -141.634 PRESSAVG: 4272600 18.7948 9.81824 -3.77978 9.81819 44.6302 -55.5846 -3.77976 -55.5846 10.6167 GPRESSAVG: 4272600 18.955 11.4122 -3.46516 9.74982 42.2042 -53.8846 -7.77618 -57.0382 12.7457 TIMING: 4272600 CPU: 13818.2, 0.00318123/step Wall: 13818.2, 0.00318123/step, 0.642784 hours remaining, 234.421875 MB of memory in use. ENERGY: 4272600 3973.5387 20469.3355 14519.5583 226.6262 -203763.5287 2667.3587 0.0000 0.0000 51885.8789 -110021.2323 298.1889 -161907.1113 -109667.9103 298.5914 -92.9040 -64.6671 759663.5406 24.6806 24.6350 PRESSURE: 4272800 134.775 188.36 -224.259 188.36 102.537 120.609 -224.258 120.61 323.905 GPRESSURE: 4272800 145.904 195.67 -215.934 235.051 106.996 109.37 -97.865 112.361 403.548 PRESSAVG: 4272800 -42.0634 -42.073 -9.30626 -42.073 46.025 -14.7328 -9.30625 -14.7327 -3.22503 GPRESSAVG: 4272800 -43.4601 -42.4447 -9.30372 -43.5151 47.0961 -16.1785 -7.49803 -12.8737 -3.15475 TIMING: 4272800 CPU: 13818.9, 0.00317529/step Wall: 13818.9, 0.00317529/step, 0.641409 hours remaining, 234.421875 MB of memory in use. ENERGY: 4272800 3962.9434 20533.2355 14460.1707 256.3854 -203706.4800 2717.5331 0.0000 0.0000 51941.2242 -109834.9876 298.5069 -161776.2118 -109474.9686 298.6162 187.0722 218.8160 760347.0986 0.2455 0.1604 PRESSURE: 4273000 160.97 -104.049 -61.6787 -104.048 -75.9587 10.7816 -61.6788 10.7817 370.014 GPRESSURE: 4273000 128.478 -0.16121 -152.127 -248.439 37.1153 10.4778 -89.8135 -33.1942 379.348 PRESSAVG: 4273000 -24.5766 -11.7848 -2.79486 -11.7848 26.9858 -77.3405 -2.79492 -77.3405 25.5837 GPRESSAVG: 4273000 -21.8133 -12.5493 -1.79333 -9.37451 26.7733 -77.8183 -2.47329 -77.4398 23.2537 TIMING: 4273000 CPU: 13819.5, 0.00317073/step Wall: 13819.5, 0.00317073/step, 0.640312 hours remaining, 234.421875 MB of memory in use. ENERGY: 4273000 3988.8201 20553.8435 14494.1733 245.0587 -203517.2313 2520.9622 0.0000 0.0000 52083.6337 -109630.7399 299.3254 -161714.3736 -109275.3233 299.0631 151.6752 181.6470 761430.7885 9.3310 9.4046 PRESSURE: 4273200 -43.4533 33.6188 6.27123 33.6181 -89.1834 -130.503 6.27084 -130.502 90.6148 GPRESSURE: 4273200 -21.8804 26.5699 77.4073 101.276 -92.5351 -67.3477 -192.694 -51.0859 158.031 PRESSAVG: 4273200 25.7086 7.11231 69.0833 7.11241 -4.15041 -58.5834 69.0833 -58.5833 -14.7895 GPRESSAVG: 4273200 25.1838 5.22425 69.9155 4.69303 -5.03985 -58.0674 67.201 -56.9678 -13.826 TIMING: 4273200 CPU: 13820.1, 0.00315513/step Wall: 13820.1, 0.00315513/step, 0.636985 hours remaining, 234.421875 MB of memory in use. ENERGY: 4273200 4023.7149 20625.3636 14469.4816 247.2392 -203287.9279 2145.5087 0.0000 0.0000 52118.5022 -109658.1177 299.5257 -161776.6199 -109288.4556 298.8065 -14.0073 14.5387 760025.0880 2.2562 2.1060 PRESSURE: 4273400 -54.1117 -112.852 1.63898 -112.852 -44.4884 21.4554 1.63788 21.4559 415.629 GPRESSURE: 4273400 63.4505 -149.202 88.232 -106.873 0.529696 46.6237 -134.28 10.6359 334.117 PRESSAVG: 4273400 24.993 -30.0726 23.7538 -30.0726 -21.1479 -17.1282 23.7538 -17.1282 -34.8925 GPRESSAVG: 4273400 24.2597 -28.6494 24.3482 -27.8954 -20.1932 -15.9881 26.8841 -17.8577 -35.1647 TIMING: 4273400 CPU: 13820.8, 0.00320569/step Wall: 13820.8, 0.00320569/step, 0.647016 hours remaining, 234.492188 MB of memory in use. ENERGY: 4273400 3932.4413 20463.2763 14499.2757 243.7897 -203558.4005 2357.6275 0.0000 0.0000 52261.2111 -109800.7788 300.3459 -162061.9900 -109424.1755 299.2600 105.6764 132.6991 758432.2325 -10.3491 -10.3661 PRESSURE: 4273600 131.113 -8.1555 190.421 -8.15506 205.345 -99.0546 190.42 -99.0552 379.789 GPRESSURE: 4273600 171.398 -91.4712 228.64 30.1151 230.754 -50.8426 126.124 -22.7542 402.122 PRESSAVG: 4273600 -6.64869 -27.1138 37.6512 -27.1138 -10.4083 -39.4766 37.6512 -39.4766 7.79265 GPRESSAVG: 4273600 -6.69679 -25.0344 36.374 -28.5394 -10.2359 -39.5831 36.5337 -41.4529 7.52376 TIMING: 4273600 CPU: 13821.4, 0.00316694/step Wall: 13821.4, 0.00316694/step, 0.639018 hours remaining, 234.492188 MB of memory in use. ENERGY: 4273600 3964.7107 20362.1048 14439.1720 261.3688 -203467.1284 2790.3798 0.0000 0.0000 52152.0204 -109497.3719 299.7184 -161649.3923 -109132.0112 299.8997 238.7492 268.0915 758224.5570 -3.0881 -3.1363 PRESSURE: 4273800 20.2111 7.51198 117.341 7.51154 -50.031 12.0289 117.341 12.0297 -377.965 GPRESSURE: 4273800 34.1356 -42.4677 118.056 -96.0218 -66.5037 0.400282 210.81 50.3602 -297.274 PRESSAVG: 4273800 35.1706 -86.8979 40.5892 -86.8979 47.9463 -9.87441 40.5892 -9.87432 -7.09104 GPRESSAVG: 4273800 35.0298 -89.8494 41.8561 -84.3496 47.6379 -10.3991 41.1767 -10.1105 -6.15433 TIMING: 4273800 CPU: 13822.1, 0.00317389/step Wall: 13822.1, 0.00317389/step, 0.640244 hours remaining, 234.492188 MB of memory in use. ENERGY: 4273800 3965.4139 20405.6302 14465.5955 258.0076 -202906.1969 2195.4939 0.0000 0.0000 52033.1433 -109582.9126 299.0352 -161616.0558 -109211.3435 298.8736 -135.9282 -109.8808 760044.3888 25.3419 25.5045 PRESSURE: 4274000 315.138 37.6532 -114.65 37.6534 348.703 -114.716 -114.65 -114.715 510.045 GPRESSURE: 4274000 283.148 49.7448 -181.57 110.252 374.665 -56.4252 -128.06 -119.941 583.632 PRESSAVG: 4274000 -19.2009 -34.4497 -1.7696 -34.4497 0.0803709 -28.1065 -1.76956 -28.1065 -1.79068 GPRESSAVG: 4274000 -20.5644 -33.02 -3.35649 -36.1717 0.853304 -26.8345 -2.50527 -26.9579 -1.8791 TIMING: 4274000 CPU: 13822.7, 0.00320362/step Wall: 13822.7, 0.00320362/step, 0.646063 hours remaining, 234.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4274000 3914.4495 20581.8626 14501.0921 249.3877 -203915.5058 2947.0440 0.0000 0.0000 51825.0636 -109896.6063 297.8394 -161721.6699 -109533.1735 298.7994 391.2953 413.8147 758208.8142 -6.9704 -7.1967 PRESSURE: 4274200 -352.407 36.1251 217.864 36.1247 -147.938 -51.8699 217.864 -51.8699 -281.73 GPRESSURE: 4274200 -334.783 14.5619 276.55 -80.444 -131.927 -82.0819 240.064 -48.5012 -235.748 PRESSAVG: 4274200 16.9324 -5.70615 0.739912 -5.70621 39.3456 37.6313 0.739846 37.6313 3.36515 GPRESSAVG: 4274200 17.4679 -7.22924 1.41511 -2.34832 39.1861 35.7049 3.02461 37.258 2.88712 TIMING: 4274200 CPU: 13823.3, 0.0031961/step Wall: 13823.3, 0.00319609/step, 0.644368 hours remaining, 234.460938 MB of memory in use. ENERGY: 4274200 4001.5819 20521.1234 14457.6281 236.1090 -203129.1294 1992.4468 0.0000 0.0000 51758.6279 -110161.6122 297.4575 -161920.2401 -109800.3237 298.1241 -260.6918 -234.1524 761236.5507 19.8810 19.8470 PRESSURE: 4274400 106.16 166.289 -145.363 166.29 15.7725 -33.4872 -145.364 -33.4872 -278.557 GPRESSURE: 4274400 73.3399 199.478 -180.567 187.245 9.01571 8.4325 -109.606 -130.4 -142.34 PRESSAVG: 4274400 55.8365 -19.0215 -5.65677 -19.0215 -95.5872 -7.77319 -5.65675 -7.77319 -14.8242 GPRESSAVG: 4274400 54.8191 -17.5389 -3.97595 -21.6138 -94.9651 -6.25596 -8.08529 -7.95536 -14.4958 TIMING: 4274400 CPU: 13824, 0.0031791/step Wall: 13824, 0.0031791/step, 0.640766 hours remaining, 234.492188 MB of memory in use. ENERGY: 4274400 4021.6396 20503.6396 14511.7156 242.3862 -203319.7781 2438.5101 0.0000 0.0000 51613.0536 -109988.8333 296.6209 -161601.8870 -109627.9181 297.9568 -52.2082 -19.9946 761240.5817 -18.1916 -18.2139 PRESSURE: 4274600 181.671 106.991 93.7394 106.991 -112.923 -39.0997 93.7398 -39.0999 189.782 GPRESSURE: 4274600 266.743 133.049 36.0189 197.484 -94.3432 -35.2646 47.7886 -3.22643 156.398 PRESSAVG: 4274600 11.5313 0.543882 1.81131 0.543839 -37.2004 -21.1881 1.81132 -21.1881 4.04388 GPRESSAVG: 4274600 12.9033 -1.0758 1.47675 -0.495954 -37.0026 -21.3382 3.42543 -20.4774 2.50794 TIMING: 4274600 CPU: 13824.6, 0.00319084/step Wall: 13824.6, 0.00319084/step, 0.642953 hours remaining, 234.492188 MB of memory in use. ENERGY: 4274600 3929.2974 20474.4313 14449.5436 254.2019 -203859.5966 2630.9571 0.0000 0.0000 51945.3959 -110175.7695 298.5309 -162121.1654 -109824.0169 298.4577 86.1766 109.5992 759842.1292 -7.2084 -7.1971 PRESSURE: 4274800 136.122 52.6228 39.2357 52.622 -64.9086 -14.1656 39.237 -14.1655 455.093 GPRESSURE: 4274800 234.462 53.2876 -35.1005 -8.40618 -82.1909 -24.0196 22.8798 -62.0541 436.449 PRESSAVG: 4274800 31.7851 40.9317 10.6642 40.9317 -18.5003 -60.6881 10.6641 -60.6881 -4.02251 GPRESSAVG: 4274800 30.7793 42.5617 7.53915 40.7509 -19.1953 -61.1778 9.96531 -61.8808 -2.11247 TIMING: 4274800 CPU: 13825.2, 0.00319406/step Wall: 13825.2, 0.00319406/step, 0.643425 hours remaining, 234.546875 MB of memory in use. ENERGY: 4274800 3878.4702 20516.9666 14526.6625 242.7705 -203851.7494 2684.7240 0.0000 0.0000 51712.5322 -110289.6233 297.1926 -162002.1556 -109932.1718 297.7851 175.4353 196.2401 759455.7346 3.0874 3.1572 PRESSURE: 4275000 -419.499 29.579 -113.513 29.5798 -172.17 110 -113.512 109.999 -363.358 GPRESSURE: 4275000 -444.064 -22.1202 -17.931 138.125 -104.29 97.8825 42.4773 -27.6539 -321.582 PRESSAVG: 4275000 13.3298 -46.8847 -8.36741 -46.8847 -14.0311 -48.4396 -8.36746 -48.4398 10.1609 GPRESSAVG: 4275000 14.8847 -46.878 -6.29029 -45.7517 -14.2434 -48.194 -5.88245 -49.6638 8.50213 TIMING: 4275000 CPU: 13825.9, 0.00315248/step Wall: 13825.9, 0.00315247/step, 0.634873 hours remaining, 234.546875 MB of memory in use. ENERGY: 4275000 4015.7279 20347.7020 14475.1322 244.4442 -203599.0088 2406.4786 0.0000 0.0000 51918.1888 -110191.3350 298.3745 -162109.5238 -109838.1510 298.0581 -318.3423 -289.9786 760583.8331 3.1532 3.0478 PRESSURE: 4275200 -701.018 -169.333 39.096 -169.333 75.3323 -316.835 39.0959 -316.836 -119.416 GPRESSURE: 4275200 -656.467 -102.884 -13.804 -113.307 50.0007 -356.397 19.9098 -317.454 -62.1095 PRESSAVG: 4275200 -10.8237 -2.28448 -1.43976 -2.28449 47.4622 16.9697 -1.43977 16.9697 1.17221 GPRESSAVG: 4275200 -11.973 -1.57061 -0.93491 -2.84815 48.581 15.9042 -5.10981 19.6836 1.5152 TIMING: 4275200 CPU: 13826.5, 0.00317556/step Wall: 13826.5, 0.00317556/step, 0.639347 hours remaining, 234.546875 MB of memory in use. ENERGY: 4275200 4036.7500 20439.8643 14463.8047 255.2440 -203416.3516 2236.3661 0.0000 0.0000 51823.0299 -110161.2925 297.8277 -161984.3224 -109801.2200 297.4730 -248.3672 -222.8587 760460.6949 12.6036 12.7077 PRESSURE: 4275400 -74.2347 50.0998 -100.267 50.0999 -66.9027 115.784 -100.267 115.784 177.84 GPRESSURE: 4275400 21.1715 -65.4231 -99.2533 12.8525 -61.3129 143.211 -35.7835 15.2591 146.23 PRESSAVG: 4275400 -25.81 -7.56748 57.3263 -7.5674 2.05967 60.9867 57.3263 60.9868 33.11 GPRESSAVG: 4275400 -24.7423 -7.99715 56.6763 -8.53707 1.84036 60.0761 59.0132 61.0206 31.5465 TIMING: 4275400 CPU: 13827.1, 0.00317399/step Wall: 13827.1, 0.00317399/step, 0.638853 hours remaining, 234.546875 MB of memory in use. ENERGY: 4275400 3975.5310 20307.7197 14554.2237 241.1109 -203370.0196 2374.3688 0.0000 0.0000 51754.3611 -110162.7045 297.4330 -161917.0656 -109801.2884 297.8247 12.2340 35.3630 759112.8579 3.1199 2.8815 PRESSURE: 4275600 136.074 -2.34759 269.856 -2.34742 -75.7884 252.309 269.856 252.309 -344.337 GPRESSURE: 4275600 166.3 19.6384 264.24 7.22057 17.7949 322.754 134.442 147.59 -368.51 PRESSAVG: 4275600 22.909 6.9185 54.3454 6.91851 -23.2253 26.5004 54.3454 26.5003 3.14677 GPRESSAVG: 4275600 22.3354 4.98854 53.9634 8.80706 -23.1599 28.3847 53.8624 25.8219 4.38877 TIMING: 4275600 CPU: 13827.8, 0.00317436/step Wall: 13827.8, 0.00317437/step, 0.638753 hours remaining, 234.546875 MB of memory in use. ENERGY: 4275600 4028.8797 20388.1754 14483.4105 246.8331 -203513.6049 2563.4490 0.0000 0.0000 51733.5179 -110069.3392 297.3132 -161802.8571 -109707.8516 297.9983 -94.6839 -61.4715 761324.1532 0.9435 1.1881 PRESSURE: 4275800 230.548 -264.361 -12.5685 -264.361 182.899 62.8747 -12.5692 62.8742 -95.7942 GPRESSURE: 4275800 239.633 -216.801 -89.1727 -227.913 247.441 49.7292 -52.3368 153.625 -80.7277 PRESSAVG: 4275800 40.1643 21.6379 20.895 21.6379 -32.7725 9.03549 20.895 9.03552 12.1049 GPRESSAVG: 4275800 40.3593 21.3724 20.718 22.1464 -32.8564 8.97341 20.1788 8.71854 12.127 TIMING: 4275800 CPU: 13828.4, 0.00317261/step Wall: 13828.4, 0.00317261/step, 0.638224 hours remaining, 234.546875 MB of memory in use. ENERGY: 4275800 3922.8543 20362.3181 14435.8583 255.4104 -204061.7707 2954.4593 0.0000 0.0000 51968.5364 -110162.3338 298.6639 -162130.8702 -109795.7350 298.3364 105.8843 135.4488 761266.6272 6.4989 6.5433 PRESSURE: 4276000 -301.234 224.311 -71.7325 224.311 103.611 25.7776 -71.7324 25.7773 74.0161 GPRESSURE: 4276000 -220.612 161.998 -15.7187 175.825 51.6192 -7.15205 75.9642 -15.0059 123.493 PRESSAVG: 4276000 -9.79517 5.82136 10.2218 5.82126 -9.04908 -11.8239 10.2218 -11.8238 -14.1444 GPRESSAVG: 4276000 -9.29618 6.33844 10.7 4.34589 -8.96479 -11.7894 11.4601 -11.6289 -14.4152 TIMING: 4276000 CPU: 13829, 0.00317392/step Wall: 13829, 0.00317392/step, 0.638311 hours remaining, 234.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4276000 3994.4837 20437.8474 14488.1577 235.5153 -203670.2532 2627.2244 0.0000 0.0000 51760.2079 -110126.8168 297.4666 -161887.0247 -109771.6848 297.5740 -41.2022 -15.1665 760814.5419 -10.9962 -10.8921 PRESSURE: 4276200 -76.4268 26.3465 115.88 26.3465 -376.249 -262.256 115.88 -262.257 -163.637 GPRESSURE: 4276200 -2.69537 -124.635 80.3028 -20.0032 -280.282 -346.181 52.4491 -156.938 -244.651 PRESSAVG: 4276200 28.2736 -65.2645 24.2996 -65.2644 -18.9936 9.05063 24.2996 9.05057 -12.5174 GPRESSAVG: 4276200 28.2958 -63.688 24.8731 -65.2345 -19.2714 9.58676 23.0567 8.0874 -11.742 TIMING: 4276200 CPU: 13829.7, 0.00314658/step Wall: 13829.7, 0.00314658/step, 0.632638 hours remaining, 234.546875 MB of memory in use. ENERGY: 4276200 4029.8602 20376.1413 14442.0391 254.9629 -203689.8771 2542.6007 0.0000 0.0000 51829.7983 -110214.4747 297.8666 -162044.2730 -109850.1478 297.9399 -205.4377 -175.8761 759963.1873 -1.0792 -0.9059 LDB: ============= START OF LOAD BALANCING ============== 13842.1 LDB: ============== END OF LOAD BALANCING =============== 13842.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13842.1 LDB: ============= START OF LOAD BALANCING ============== 13842.4 LDB: Largest compute 7055 load 0.032588 is 16.7% of average load 0.195466 LDB: Average compute 0.004396 is 2.2% of average load 0.195466 LDB: TIME 13842.4 LOAD: AVG 0.195466 MAX 0.214273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.484 MB LDB: TIME 13842.4 LOAD: AVG 0.195466 MAX 0.214273 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: TIME 13842.4 LOAD: AVG 0.195466 MAX 0.214273 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: ============== END OF LOAD BALANCING =============== 13842.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13842.4 PRESSURE: 4276400 424.196 -135.87 112.459 -135.871 142.017 175.489 112.459 175.489 -136.61 GPRESSURE: 4276400 424.601 -125.751 92.0943 -80.4947 118.055 78.1155 7.49355 112.808 -47.268 PRESSAVG: 4276400 -15.7516 -20.0703 -23.7932 -20.0704 -35.7615 7.30501 -23.7932 7.30498 14.0982 GPRESSAVG: 4276400 -15.8201 -20.5937 -23.6983 -20.3187 -35.772 5.80262 -22.5666 8.43423 14.2145 TIMING: 4276400 CPU: 13830.3, 0.00321909/step Wall: 13830.3, 0.00321909/step, 0.647037 hours remaining, 235.906250 MB of memory in use. ENERGY: 4276400 3991.1356 20431.7312 14431.0271 237.1546 -204159.2680 2987.3444 0.0000 0.0000 52023.4594 -110057.4157 298.9795 -162080.8751 -109709.1921 297.7336 143.2006 165.1293 760273.1760 -12.4716 -12.4592 PRESSURE: 4276600 308.73 103.131 181.669 103.13 -311.31 -187.371 181.668 -187.371 34.2858 GPRESSURE: 4276600 324.979 53.4934 182.136 127.572 -264.971 -164.877 87.4775 -101.776 57.8221 PRESSAVG: 4276600 17.9082 -32.3177 -0.47223 -32.3177 -58.7542 -17.5214 -0.47229 -17.5215 -1.00123 GPRESSAVG: 4276600 17.3448 -32.058 -2.20697 -31.6706 -56.6029 -15.7099 -1.97094 -18.8652 -2.12782 TIMING: 4276600 CPU: 13831, 0.00319014/step Wall: 13831, 0.00319013/step, 0.64104 hours remaining, 236.105469 MB of memory in use. ENERGY: 4276600 3953.0461 20489.9328 14445.3301 240.7227 -203817.1280 2658.1732 0.0000 0.0000 51957.6518 -110072.2713 298.6013 -162029.9231 -109700.0596 298.2091 10.5684 39.2768 761327.1261 -13.9491 -13.7953 PRESSURE: 4276800 -1.35795 -109.189 3.3257 -109.189 127.394 6.40442 3.32573 6.40533 -97.2474 GPRESSURE: 4276800 15.746 -64.4487 15.3423 -63.8431 189.021 18.1735 9.83237 50.1793 -87.2319 PRESSAVG: 4276800 49.8266 -21.3272 24.7782 -21.3272 -39.0092 -23.4564 24.7782 -23.4564 -15.6584 GPRESSAVG: 4276800 50.6024 -22.5812 26.1893 -23.1139 -40.5356 -23.6232 25.8071 -21.942 -14.4861 TIMING: 4276800 CPU: 13831.6, 0.00322509/step Wall: 13831.6, 0.00322509/step, 0.647884 hours remaining, 236.175781 MB of memory in use. ENERGY: 4276800 4015.7155 20483.3071 14465.1868 230.9110 -203027.2273 2279.7472 0.0000 0.0000 51728.8431 -109823.5166 297.2864 -161552.3597 -109469.3142 298.4630 9.5963 39.1782 759444.2193 -1.6137 -1.4731 PRESSURE: 4277000 -70.9365 115.497 -176.589 115.497 363.645 -226.387 -176.589 -226.387 -1.54839 GPRESSURE: 4277000 5.04136 153.07 -163.061 111.122 418.568 -237.466 3.57889 -201.391 -37.9508 PRESSAVG: 4277000 29.1404 -43.5142 -18.8866 -43.5143 -36.3056 -56.5299 -18.8866 -56.5299 20.4074 GPRESSAVG: 4277000 30.1502 -43.8359 -18.7719 -41.6329 -36.8619 -57.3146 -20.5489 -57.4713 19.9312 TIMING: 4277000 CPU: 13832.2, 0.00316833/step Wall: 13832.2, 0.00316833/step, 0.636307 hours remaining, 236.246094 MB of memory in use. ENERGY: 4277000 4028.8549 20435.2570 14446.4423 221.0294 -203563.9365 2641.0005 0.0000 0.0000 51951.3669 -109839.9854 298.5652 -161791.3523 -109479.5869 298.5366 97.0535 128.5529 759022.9171 4.4140 4.4065 PRESSURE: 4277200 -241.109 -69.2035 -183.048 -69.2042 -63.9755 -239.297 -183.047 -239.297 -62.0319 GPRESSURE: 4277200 -159.74 -60.6798 -164.767 -128.964 -18.3207 -248.372 -100.753 -84.4699 -108.251 PRESSAVG: 4277200 -13.9274 -42.3928 -45.3077 -42.3927 9.05273 4.70587 -45.3076 4.7059 -14.2342 GPRESSAVG: 4277200 -14.874 -40.1264 -46.0943 -44.5862 10.3764 5.51236 -42.3572 5.61874 -14.574 TIMING: 4277200 CPU: 13832.9, 0.00317157/step Wall: 13832.9, 0.00317157/step, 0.636782 hours remaining, 236.246094 MB of memory in use. ENERGY: 4277200 3954.5085 20513.4743 14417.2777 253.5893 -203579.0195 2554.9323 0.0000 0.0000 51874.2008 -110011.0366 298.1217 -161885.2374 -109650.3130 298.5041 -122.3722 -95.4372 762065.3145 -6.3696 -6.3572 PRESSURE: 4277400 -313.191 4.87367 167.04 4.87432 -264.571 128.001 167.04 128.001 -281.849 GPRESSURE: 4277400 -307.691 45.3799 141.444 42.6799 -261.038 91.7445 89.2493 178.551 -192.434 PRESSAVG: 4277400 19.5438 -14.6778 -13.1208 -14.6777 20.2555 21.9283 -13.1207 21.9284 -1.47355 GPRESSAVG: 4277400 20.0855 -15.4123 -15.0824 -12.8174 19.4295 22.2715 -13.9855 21.1634 -0.929289 TIMING: 4277400 CPU: 13833.5, 0.00318479/step Wall: 13833.5, 0.00318479/step, 0.639257 hours remaining, 236.246094 MB of memory in use. ENERGY: 4277400 3958.1696 20228.8696 14416.5423 237.1348 -203062.4856 2385.1900 0.0000 0.0000 51838.1210 -109998.4584 297.9144 -161836.5793 -109633.7185 298.5206 -286.5368 -253.7212 760875.7539 12.7753 12.8619 PRESSURE: 4277600 -100.702 -133.281 222.388 -133.282 -190.568 40.4973 222.388 40.498 -338.552 GPRESSURE: 4277600 -172.116 -183.603 215.847 -173.05 -12.8957 79.4841 114.57 129.26 -349.27 PRESSAVG: 4277600 -6.46451 -17.4228 14.2139 -17.4228 9.3564 61.8057 14.2139 61.8056 10.4674 GPRESSAVG: 4277600 -5.70466 -16.624 16.4034 -17.5334 9.05158 62.2874 12.6259 62.6988 9.96021 TIMING: 4277600 CPU: 13834.1, 0.00318867/step Wall: 13834.1, 0.00318867/step, 0.639859 hours remaining, 236.246094 MB of memory in use. ENERGY: 4277600 3977.4520 20465.6362 14438.2139 233.1645 -203577.2492 2550.5642 0.0000 0.0000 52004.0913 -109908.1271 298.8682 -161912.2184 -109547.1902 298.1969 -209.9408 -178.0940 761529.3765 4.4531 4.4357 PRESSURE: 4277800 381.068 -231 -74.0577 -230.999 238.032 77.0407 -74.058 77.0409 544.257 GPRESSURE: 4277800 472.588 -252.406 -126.06 -151.371 244.226 48.2141 -125.433 69.3618 556.052 PRESSAVG: 4277800 -20.3576 -50.9819 30.1837 -50.9819 19.3003 28.5297 30.1838 28.5297 10.268 GPRESSAVG: 4277800 -21.1363 -51.393 28.5848 -51.5002 20.5461 28.7757 30.0925 29.0755 10.4635 TIMING: 4277800 CPU: 13834.8, 0.00318605/step Wall: 13834.8, 0.00318605/step, 0.639158 hours remaining, 236.246094 MB of memory in use. ENERGY: 4277800 3946.5173 20401.0024 14512.9570 247.9088 -203651.9653 2820.6104 0.0000 0.0000 51756.5031 -109966.4662 297.4453 -161722.9693 -109604.6740 298.1735 387.7857 424.2885 758600.7120 3.0702 3.2911 PRESSURE: 4278000 -454.316 -208.014 -182.169 -208.014 -437.515 99.0551 -182.169 99.0545 -229.39 GPRESSURE: 4278000 -524.33 -118.359 -67.5146 -271.703 -348.729 65.0576 -126.566 43.1596 -170.271 PRESSAVG: 4278000 28.0151 -99.0705 2.2019 -99.0705 33.2525 59.1495 2.20189 59.1494 -8.16393 GPRESSAVG: 4278000 28.5697 -99.0864 4.10011 -99.1454 32.5524 58.6691 3.36221 59.8654 -7.9402 TIMING: 4278000 CPU: 13835.4, 0.00316253/step Wall: 13835.4, 0.00316253/step, 0.634264 hours remaining, 236.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4278000 4018.6310 20479.0603 14449.9547 259.4386 -203434.4023 2437.5918 0.0000 0.0000 52011.2139 -109778.5121 298.9092 -161789.7260 -109410.0194 298.8250 -373.7404 -347.7768 759958.0493 17.7012 17.7273 PRESSURE: 4278200 146.47 -106.225 230.587 -106.225 370.871 164.19 230.586 164.19 168.322 GPRESSURE: 4278200 177.49 15.5687 183.633 -129.484 323.977 312.581 190.211 96.2001 237.764 PRESSAVG: 4278200 -61.3908 -10.1888 -1.927 -10.1887 31.3891 57.9919 -1.92705 57.9919 -9.78401 GPRESSAVG: 4278200 -63.3458 -10.1219 -4.87525 -9.81381 31.0106 58.6067 -1.94906 56.7374 -8.19287 TIMING: 4278200 CPU: 13836, 0.00315475/step Wall: 13836, 0.00315475/step, 0.632527 hours remaining, 236.246094 MB of memory in use. ENERGY: 4278200 4021.9384 20491.9431 14586.3984 282.5049 -203223.5065 2449.1418 0.0000 0.0000 51752.9752 -109638.6046 297.4251 -161391.5799 -109290.0007 299.0154 228.5544 246.4106 760107.7152 -13.2619 -13.5094 PRESSURE: 4278400 -262.958 268.837 -155.293 268.838 0.875505 -66.2234 -155.294 -66.2235 179.888 GPRESSURE: 4278400 -110.194 221.494 -177.436 278.404 17.8788 -79.2712 -150.24 55.4727 92.2901 PRESSAVG: 4278400 -29.7418 -21.0035 -17.1135 -21.0035 -18.7012 -16.6135 -17.1134 -16.6135 5.38595 GPRESSAVG: 4278400 -29.5629 -19.8404 -16.1124 -21.5128 -17.7609 -17.3808 -17.7269 -16.1259 4.11173 TIMING: 4278400 CPU: 13836.7, 0.00314714/step Wall: 13836.7, 0.00314714/step, 0.630827 hours remaining, 236.449219 MB of memory in use. ENERGY: 4278400 3959.4459 20440.5900 14475.8632 248.7478 -203295.2949 2287.0795 0.0000 0.0000 52317.3398 -109566.2286 300.6685 -161883.5684 -109204.7592 299.2739 -27.3983 -0.0083 760143.6296 -14.3524 -14.4040 PRESSURE: 4278600 -336.662 -158.276 -157.225 -158.276 -38.3805 -48.4294 -157.225 -48.4291 -356.361 GPRESSURE: 4278600 -244.178 -148.235 -84.7689 -220.316 -67.514 -51.0995 -269.614 -60.6387 -331.368 PRESSAVG: 4278600 3.3316 7.83855 -23.9236 7.8385 8.5052 -28.5111 -23.9237 -28.5111 -12.4952 GPRESSAVG: 4278600 5.01604 7.40577 -22.7712 9.35208 7.35361 -28.9503 -23.6103 -28.5428 -13.0685 TIMING: 4278600 CPU: 13837.3, 0.00315973/step Wall: 13837.3, 0.00315973/step, 0.633176 hours remaining, 236.449219 MB of memory in use. ENERGY: 4278600 4033.3934 20503.3926 14484.4946 261.4585 -203554.6724 2488.0708 0.0000 0.0000 52300.5439 -109483.3186 300.5719 -161783.8625 -109119.2834 299.3670 -243.8011 -214.3533 761661.5758 -0.2195 -0.2329 PRESSURE: 4278800 34.2553 46.2171 -68.8655 46.2177 78.4554 9.36081 -68.8649 9.3598 159.827 GPRESSURE: 4278800 91.4942 -1.97464 -174.383 50.4192 95.4441 -1.38386 -36.2249 -1.51049 150.178 PRESSAVG: 4278800 38.1588 20.2395 2.14339 20.2395 -21.0248 7.77113 2.14338 7.77125 14.6524 GPRESSAVG: 4278800 37.9607 18.7967 1.77982 17.3475 -21.8457 7.38631 1.92463 8.17633 15.1144 TIMING: 4278800 CPU: 13837.9, 0.00315329/step Wall: 13837.9, 0.00315329/step, 0.631708 hours remaining, 236.449219 MB of memory in use. ENERGY: 4278800 3918.2801 20472.2985 14494.8862 234.7652 -203684.5031 2677.4314 0.0000 0.0000 52127.9967 -109758.8450 299.5803 -161886.8417 -109392.5300 299.4201 90.8459 112.3722 761548.6070 10.5955 10.4098 PRESSURE: 4279000 384.422 -216.184 67.4761 -216.185 75.5927 -12.1277 67.4759 -12.1271 466.476 GPRESSURE: 4279000 424.102 -177.949 -5.9328 -134.124 131.246 34.3099 78.1144 -211.173 451.692 PRESSAVG: 4279000 37.5991 -55.3709 -13.258 -55.3708 9.55103 -27.3402 -13.2579 -27.3403 32.0881 GPRESSAVG: 4279000 38.0977 -54.9236 -13.206 -53.3395 10.2965 -27.344 -11.6114 -28.3922 31.2137 TIMING: 4279000 CPU: 13838.6, 0.00315922/step Wall: 13838.6, 0.00315922/step, 0.632723 hours remaining, 236.449219 MB of memory in use. ENERGY: 4279000 3973.9994 20472.7597 14469.8244 236.2031 -203388.6927 2512.9417 0.0000 0.0000 51883.9690 -109838.9956 298.1779 -161722.9645 -109469.7846 298.8065 308.8304 335.6803 761732.6237 26.4128 26.5360 PRESSURE: 4279200 137.625 110.76 152.231 110.76 274.746 -189.958 152.231 -189.958 -99.9578 GPRESSURE: 4279200 90.2511 -10.7928 141.08 158.366 308.251 -163.366 79.1833 -231.322 -21.0679 PRESSAVG: 4279200 19.8619 -4.25806 0.0246762 -4.25807 -6.09244 -22.0901 0.0246884 -22.0901 -15.2405 GPRESSAVG: 4279200 18.7744 -4.00326 0.446642 -3.09252 -5.51486 -21.5181 -1.52307 -20.8688 -14.5621 TIMING: 4279200 CPU: 13839.2, 0.00314715/step Wall: 13839.2, 0.00314715/step, 0.63013 hours remaining, 236.449219 MB of memory in use. ENERGY: 4279200 3934.3793 20435.6066 14486.5173 249.7339 -203561.6425 2717.4770 0.0000 0.0000 51779.4946 -109958.4337 297.5775 -161737.9284 -109598.2849 298.4369 104.1379 125.8114 760359.3523 -0.4903 -0.4342 PRESSURE: 4279400 -66.3095 24.765 42.2463 24.766 139.628 4.68593 42.2453 4.68553 -80.9524 GPRESSURE: 4279400 -69.3588 64.2073 39.0923 55.6019 196.292 123.613 -4.76608 80.3973 -40.6961 PRESSAVG: 4279400 -4.50511 14.0496 -49.0834 14.0496 1.49483 -30.2512 -49.0834 -30.2513 4.96893 GPRESSAVG: 4279400 -5.09549 13.4568 -50.145 13.1095 2.02345 -30.4675 -47.7671 -31.6011 4.91927 TIMING: 4279400 CPU: 13839.8, 0.0031755/step Wall: 13839.8, 0.0031755/step, 0.63563 hours remaining, 236.449219 MB of memory in use. ENERGY: 4279400 3888.5898 20461.9488 14536.7281 256.1139 -203774.6126 2754.4165 0.0000 0.0000 51771.9653 -110104.8502 297.5342 -161876.8156 -109735.7571 297.8376 -2.5447 28.7458 761116.8926 0.6529 0.6157 PRESSURE: 4279600 -148.597 -121.295 -66.0161 -121.295 -306.202 77.3089 -66.0163 77.3074 211.964 GPRESSURE: 4279600 -92.5779 -59.7248 17.1394 -102.414 -251.525 57.7316 -11.4334 -71.1791 199.327 PRESSAVG: 4279600 -14.4313 -19.3854 -7.56739 -19.3854 -38.5713 -4.37174 -7.5674 -4.37182 2.98162 GPRESSAVG: 4279600 -13.2248 -18.5541 -6.96736 -19.3049 -40.1986 -4.45962 -7.04033 -5.93216 2.82691 TIMING: 4279600 CPU: 13840.5, 0.00316206/step Wall: 13840.5, 0.00316206/step, 0.632764 hours remaining, 236.449219 MB of memory in use. ENERGY: 4279600 3973.6164 20568.3943 14455.9178 259.5458 -203584.3992 2543.0256 0.0000 0.0000 51671.4009 -110112.4986 296.9563 -161783.8995 -109752.1596 297.9367 -80.9449 -48.2584 761489.8952 -16.6737 -16.8655 PRESSURE: 4279800 -132.125 -13.7859 198.356 -13.7863 -130.203 25.2665 198.357 25.2664 -378.943 GPRESSURE: 4279800 -115.653 -95.8646 106.419 5.19891 -94.4692 44.5597 174.825 70.4679 -348.567 PRESSAVG: 4279800 34.279 -6.81103 -37.9003 -6.81104 -41.3181 -4.16872 -37.9003 -4.16876 22.0866 GPRESSAVG: 4279800 34.4998 -8.37716 -38.5785 -7.80943 -41.4293 -4.22531 -39.876 -2.22059 22.2217 TIMING: 4279800 CPU: 13841.1, 0.00312727/step Wall: 13841.1, 0.00312727/step, 0.625627 hours remaining, 236.449219 MB of memory in use. ENERGY: 4279800 4035.0257 20458.9689 14433.7246 274.2501 -203869.1367 2417.0251 0.0000 0.0000 52145.1211 -110105.0213 299.6787 -162250.1423 -109738.4462 298.0129 -213.7569 -186.2297 760978.1694 5.0159 5.0974 PRESSURE: 4280000 -176.348 -141.023 -133.245 -141.023 -195.23 90.0256 -133.245 90.0253 -243.301 GPRESSURE: 4280000 -52.5086 -147.754 -33.3755 -133.251 -175.979 71.4996 -95.2721 15.2825 -290.637 PRESSAVG: 4280000 -3.94383 6.91646 10.8905 6.91653 2.7315 -8.43676 10.8905 -8.43673 9.00539 GPRESSAVG: 4280000 -2.66597 8.54423 13.6569 4.97415 3.47048 -7.6184 10.3475 -9.56918 7.50517 TIMING: 4280000 CPU: 13841.7, 0.00312854/step Wall: 13841.7, 0.00312854/step, 0.625709 hours remaining, 236.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4280000 3926.8434 20654.9874 14482.3095 252.3946 -203831.0698 2630.4597 0.0000 0.0000 52106.9710 -109777.1043 299.4595 -161884.0753 -109410.6774 298.5917 -204.9597 -173.0416 759273.3437 2.5977 2.7699 PRESSURE: 4280200 -26.143 187.758 -106.101 187.758 275.159 -31.9842 -106.102 -31.9847 -21.2128 GPRESSURE: 4280200 -16.5052 153.528 -112.987 43.9254 340.513 -124.682 130.064 11.2102 -25.7533 PRESSAVG: 4280200 56.7932 -23.6321 35.901 -23.6321 -18.8502 -6.93441 35.901 -6.93441 -27.5126 GPRESSAVG: 4280200 54.2987 -24.1662 34.6663 -22.9976 -18.1267 -5.66122 36.2202 -8.4 -25.5666 TIMING: 4280200 CPU: 13842.4, 0.00314442/step Wall: 13842.4, 0.00314442/step, 0.628709 hours remaining, 236.449219 MB of memory in use. ENERGY: 4280200 4040.1204 20424.6777 14478.6123 224.0943 -203723.4845 2753.6261 0.0000 0.0000 51905.4719 -109896.8819 298.3015 -161802.3538 -109531.1895 299.1000 75.9345 99.4182 759316.7593 3.4768 3.5351 LDB: ============= START OF LOAD BALANCING ============== 13854.8 LDB: ============== END OF LOAD BALANCING =============== 13854.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13854.8 LDB: ============= START OF LOAD BALANCING ============== 13855.1 LDB: Largest compute 7033 load 0.031863 is 16.3% of average load 0.195597 LDB: Average compute 0.004379 is 2.2% of average load 0.195597 LDB: TIME 13855.1 LOAD: AVG 0.195597 MAX 0.213933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 13855.1 LOAD: AVG 0.195597 MAX 0.213933 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 13855.1 LOAD: AVG 0.195597 MAX 0.213933 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 13855.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13855.1 PRESSURE: 4280400 -346.222 51.4295 -44.7184 51.429 -90.0206 -79.1413 -44.7181 -79.1429 -473.135 GPRESSURE: 4280400 -258.127 191.978 24.0535 123.472 -153.178 -10.4795 28.9014 -187.577 -416.498 PRESSAVG: 4280400 3.31904 3.27962 -21.8939 3.27962 1.0236 12.7527 -21.8939 12.7527 10.7417 GPRESSAVG: 4280400 4.95186 3.42408 -21.2043 6.57607 -0.148231 10.9067 -20.5481 14.3103 10.4806 TIMING: 4280400 CPU: 13843, 0.00323779/step Wall: 13843, 0.00323778/step, 0.647197 hours remaining, 236.425781 MB of memory in use. ENERGY: 4280400 3976.8934 20676.0573 14476.2662 234.5102 -203729.3391 2570.8497 0.0000 0.0000 51865.6821 -109929.0803 298.0728 -161794.7624 -109572.2786 298.5079 -303.1259 -275.9342 760486.6377 5.0281 5.0948 PRESSURE: 4280600 165.279 -293.673 118.998 -293.672 -49.4798 203.111 118.998 203.111 3.23637 GPRESSURE: 4280600 229.518 -147.085 148.972 -241.333 -56.528 144.235 37.6639 184.352 37.9936 PRESSAVG: 4280600 40.6589 23.2756 10.8679 23.2757 -17.3043 59.8027 10.8679 59.8027 23.3948 GPRESSAVG: 4280600 39.7869 24.6663 11.0988 20.5551 -16.3536 59.224 8.68924 60.7622 23.2172 TIMING: 4280600 CPU: 13843.6, 0.00316372/step Wall: 13843.6, 0.00316372/step, 0.632217 hours remaining, 236.496094 MB of memory in use. ENERGY: 4280600 3973.4370 20429.0748 14477.1807 258.5657 -203364.2103 2401.5738 0.0000 0.0000 51946.3786 -109877.9996 298.5366 -161824.3782 -109510.3631 298.4392 39.6785 70.3279 759757.3894 15.5831 15.5502 PRESSURE: 4280800 -80.1409 70.2543 42.9884 70.2541 -155.684 109.193 42.9884 109.194 219.89 GPRESSURE: 4280800 11.4412 106.171 3.30941 103.429 -181.95 18.9427 100.881 60.2412 231.746 PRESSAVG: 4280800 -22.2202 -13.0044 55.4986 -13.0043 39.4588 -11.1355 55.4987 -11.1355 13.8801 GPRESSAVG: 4280800 -21.2004 -13.057 53.7353 -12.177 38.6281 -10.4048 56.5938 -9.47992 14.4381 TIMING: 4280800 CPU: 13844.3, 0.00319878/step Wall: 13844.3, 0.00319878/step, 0.639045 hours remaining, 236.496094 MB of memory in use. ENERGY: 4280800 4003.7867 20558.5976 14422.8883 231.0976 -203736.3883 2682.0210 0.0000 0.0000 51870.1618 -109967.8352 298.0985 -161837.9971 -109603.8814 298.4717 -5.3116 20.4124 759862.0014 10.3729 10.6219 PRESSURE: 4281000 -227.211 100.989 -151.591 100.991 -581.01 -38.04 -151.59 -38.0406 -91.6276 GPRESSURE: 4281000 -134.873 38.2866 -244.724 221.287 -666.913 -25.2535 -100.839 -62.1464 -2.84768 PRESSAVG: 4281000 42.2129 20.7194 -7.75407 20.7194 -86.6008 -23.6865 -7.75405 -23.6864 -6.38632 GPRESSAVG: 4281000 41.8686 19.5579 -8.15753 22.1742 -87.1652 -24.1526 -7.04356 -24.9993 -5.55639 TIMING: 4281000 CPU: 13844.9, 0.00316713/step Wall: 13844.9, 0.00316713/step, 0.632546 hours remaining, 236.496094 MB of memory in use. ENERGY: 4281000 3942.0593 20607.1107 14485.6286 244.0053 -203474.5383 2311.4042 0.0000 0.0000 52067.2571 -109817.0729 299.2312 -161884.3301 -109463.8343 298.4599 -299.9495 -268.2113 760491.8715 -16.9247 -16.9510 PRESSURE: 4281200 -88.3083 -36.5043 -61.6582 -36.5047 -100.442 74.1416 -61.6582 74.1418 54.1211 GPRESSURE: 4281200 -53.0742 23.9655 -146.816 -134.035 -77.3747 71.5831 -53.3307 224.545 95.639 PRESSAVG: 4281200 58.8439 5.779 12.5097 5.77896 -38.1198 -39.2459 12.5097 -39.2459 25.2093 GPRESSAVG: 4281200 60.0515 5.98802 12.8661 3.19978 -37.9735 -40.8083 11.6621 -38.4269 23.8699 TIMING: 4281200 CPU: 13845.5, 0.00316465/step Wall: 13845.5, 0.00316465/step, 0.631875 hours remaining, 236.496094 MB of memory in use. ENERGY: 4281200 3936.6973 20436.5748 14515.2698 249.8145 -203728.5987 2745.3700 0.0000 0.0000 52000.3697 -109844.5027 298.8468 -161844.8724 -109481.8989 298.6049 -44.8765 -11.6033 760210.5000 15.3111 15.3160 PRESSURE: 4281400 6.50167 -33.7216 132.251 -33.7209 279.58 185.357 132.251 185.36 -100.423 GPRESSURE: 4281400 -26.1211 -14.3903 165.085 -93.406 327.918 170.559 126.183 85.7813 -40.2098 PRESSAVG: 4281400 39.935 -31.2117 9.47611 -31.2118 -10.034 6.69196 9.47608 6.69188 12.5184 GPRESSAVG: 4281400 39.8947 -30.9107 9.56984 -30.3889 -10.4035 6.45617 11.5956 6.49238 12.6911 TIMING: 4281400 CPU: 13846.2, 0.00318632/step Wall: 13846.2, 0.00318632/step, 0.636025 hours remaining, 236.496094 MB of memory in use. ENERGY: 4281400 3990.0147 20470.5938 14494.2610 237.4546 -203901.5094 2878.5587 0.0000 0.0000 52048.6785 -109781.9482 299.1245 -161830.6267 -109418.3117 299.0437 61.8864 87.1957 759558.7688 14.1398 14.0608 PRESSURE: 4281600 206.088 -237.388 45.7224 -237.388 158.672 -69.1366 45.7217 -69.1368 437.094 GPRESSURE: 4281600 186.397 -255.694 29.8017 -151.856 145.6 -95.4401 189.047 -33.856 540.826 PRESSAVG: 4281600 21.7708 -12.9169 5.91488 -12.9169 -27.4478 -56.0901 5.91483 -56.0902 -5.50019 GPRESSAVG: 4281600 20.2949 -13.1759 6.01189 -11.1111 -26.7823 -55.9319 3.74167 -55.7688 -5.06403 TIMING: 4281600 CPU: 13846.8, 0.00318724/step Wall: 13846.8, 0.00318724/step, 0.636031 hours remaining, 236.496094 MB of memory in use. ENERGY: 4281600 3975.1862 20450.4558 14480.7410 242.4836 -203968.2434 2793.3312 0.0000 0.0000 52198.5538 -109827.4920 299.9858 -162026.0458 -109455.9752 298.8382 267.2848 290.9409 758624.9639 -3.7257 -3.8505 PRESSURE: 4281800 -318.644 75.4319 -172.157 75.4325 -28.076 -152.826 -172.158 -152.826 -140.966 GPRESSURE: 4281800 -177.91 31.3778 -167.536 99.8974 -116.151 -100.173 -193.01 -206.075 -96.6124 PRESSAVG: 4281800 -42.0066 -27.3492 5.33777 -27.3492 40.8985 27.0812 5.33774 27.0813 -7.12382 GPRESSAVG: 4281800 -41.1513 -28.8946 6.03441 -28.0646 40.8383 27.0437 3.70313 27.8348 -7.80335 TIMING: 4281800 CPU: 13847.4, 0.003183/step Wall: 13847.4, 0.003183/step, 0.635008 hours remaining, 236.496094 MB of memory in use. ENERGY: 4281800 3959.1270 20479.7735 14489.6943 243.0583 -203558.7681 2582.7524 0.0000 0.0000 52009.4487 -109794.9138 298.8990 -161804.3625 -109438.4883 299.1281 -162.5620 -130.2243 758943.4384 -2.7440 -2.7055 PRESSURE: 4282000 -104.223 -69.5777 147.655 -69.5784 39.9027 341.729 147.654 341.729 -102.497 GPRESSURE: 4282000 -80.5428 -69.0889 229.404 -87.5026 99.3417 300.259 65.9869 322.287 -107.754 PRESSAVG: 4282000 -63.7361 -13.8855 30.4492 -13.8855 -7.86662 61.1064 30.4491 61.1063 -7.57082 GPRESSAVG: 4282000 -62.0654 -11.4324 30.0382 -14.726 -7.76483 60.126 32.0273 58.6868 -8.76567 TIMING: 4282000 CPU: 13848.1, 0.00317496/step Wall: 13848.1, 0.00317496/step, 0.633227 hours remaining, 236.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 4023.6225 20354.2434 14476.3338 248.1794 -203582.8914 2668.0024 0.0000 0.0000 52045.2304 -109767.2796 299.1047 -161812.5099 -109400.1484 298.7163 -55.6058 -29.6516 759020.6138 -26.3912 -26.1986 PRESSURE: 4282200 -11.5997 214.84 456.052 214.839 -106.546 203.779 456.052 203.779 -70.1582 GPRESSURE: 4282200 32.3076 311.949 374.942 158.491 -57.9768 201.975 318.391 254.108 -82.3315 PRESSAVG: 4282200 34.719 9.95938 -15.2899 9.95935 11.7569 13.3127 -15.2899 13.3127 0.423945 GPRESSAVG: 4282200 33.567 9.71451 -16.2512 10.2301 11.4025 14.2581 -16.1577 16.092 1.8897 TIMING: 4282200 CPU: 13848.7, 0.00319041/step Wall: 13848.7, 0.00319041/step, 0.636132 hours remaining, 236.496094 MB of memory in use. ENERGY: 4282200 4033.1984 20418.6581 14481.1681 240.5738 -203322.3036 2247.0639 0.0000 0.0000 52029.6171 -109872.0241 299.0149 -161901.6413 -109506.1586 298.7565 -62.7679 -36.0002 758370.9161 15.6333 15.6198 PRESSURE: 4282400 -86.523 -77.5655 5.13257 -77.5642 -257.642 128.571 5.13181 128.571 -133.723 GPRESSURE: 4282400 -67.8465 -100.464 23.9196 -1.07401 -201.235 171.093 18.6468 168.19 -109.698 PRESSAVG: 4282400 -12.0402 13.8102 -68.4217 13.8102 25.2103 -10.6759 -68.4217 -10.676 -2.93902 GPRESSAVG: 4282400 -12.3592 14.0092 -68.6945 11.4892 26.2255 -8.80468 -70.0925 -11.501 -3.20081 TIMING: 4282400 CPU: 13849.4, 0.00319247/step Wall: 13849.4, 0.00319247/step, 0.636366 hours remaining, 236.496094 MB of memory in use. ENERGY: 4282400 4033.4968 20386.9287 14429.0023 240.9053 -203339.4581 2384.5475 0.0000 0.0000 51832.7034 -110031.8741 297.8833 -161864.5775 -109681.6313 298.7153 -159.2959 -126.2600 761182.8580 3.4103 3.5551 PRESSURE: 4282600 -160.678 186.281 -44.1602 186.281 287.293 -116.469 -44.159 -116.469 265.65 GPRESSURE: 4282600 -125.135 352.909 36.2044 39.0903 256.413 -76.6489 -79.3728 -133.912 380.179 PRESSAVG: 4282600 -50.0735 12.6632 -18.2131 12.6631 14.8512 36.4859 -18.213 36.4859 -9.62134 GPRESSAVG: 4282600 -49.0628 14.227 -17.2449 13.8662 14.3241 35.1041 -17.9553 36.9077 -9.67363 TIMING: 4282600 CPU: 13850, 0.00318125/step Wall: 13850, 0.00318125/step, 0.633952 hours remaining, 236.496094 MB of memory in use. ENERGY: 4282600 4030.9599 20453.4900 14429.1630 235.1534 -203747.1245 2870.0594 0.0000 0.0000 51725.0052 -110003.2937 297.2643 -161728.2989 -109642.1384 298.2812 130.7550 170.4859 760307.8031 -14.9479 -14.8041 PRESSURE: 4282800 -160.406 19.1606 0.512035 19.1599 -231.532 -59.6559 0.511988 -59.6559 -193.104 GPRESSURE: 4282800 -151.888 -45.4981 41.4516 74.6577 -127.15 -115.106 158.723 -90.0839 -218.095 PRESSAVG: 4282800 -0.345352 -5.32215 0.705448 -5.32212 19.7876 -17.7102 0.705468 -17.7102 10.5057 GPRESSAVG: 4282800 -0.61231 -9.45042 -0.34317 -3.17637 18.8949 -17.4841 1.11425 -20.6903 11.6264 TIMING: 4282800 CPU: 13850.6, 0.00320083/step Wall: 13850.6, 0.00320083/step, 0.637677 hours remaining, 236.496094 MB of memory in use. ENERGY: 4282800 3961.0556 20536.3777 14393.4666 261.4537 -203449.4427 2399.7919 0.0000 0.0000 51942.3321 -109954.9652 298.5133 -161897.2972 -109594.8768 298.3812 -195.0137 -165.7107 760262.0866 9.9827 9.9697 PRESSURE: 4283000 264.787 -47.5442 -58.215 -47.5446 137.816 212.288 -58.2142 212.288 256.07 GPRESSURE: 4283000 243.19 -80.9862 -56.8196 -40.5016 184.675 225.704 11.9081 265.015 309.025 PRESSAVG: 4283000 25.2913 -0.123912 11.5504 -0.123888 -20.2147 17.6352 11.5504 17.6352 10.9035 GPRESSAVG: 4283000 25.8489 2.47272 12.5862 -0.636952 -19.9773 16.6994 10.2041 20.2949 9.97119 TIMING: 4283000 CPU: 13851.3, 0.00322481/step Wall: 13851.3, 0.00322481/step, 0.642275 hours remaining, 236.496094 MB of memory in use. ENERGY: 4283000 3955.3686 20471.2012 14435.4226 272.3070 -203564.2760 2848.4591 0.0000 0.0000 51630.7777 -109950.7400 296.7228 -161581.5176 -109599.5888 298.5163 219.5575 245.6300 759225.6407 5.3267 5.2810 PRESSURE: 4283200 22.992 174.239 162.474 174.24 -53.157 36.0652 162.474 36.066 -293.657 GPRESSURE: 4283200 40.4881 -18.2772 121.536 142.871 24.0631 126.97 102.405 -25.2564 -301.65 PRESSAVG: 4283200 5.87598 52.1592 -10.898 52.1592 3.43259 -3.10923 -10.8979 -3.1092 3.22697 GPRESSAVG: 4283200 4.69132 50.2469 -12.137 51.4596 4.41873 -1.34358 -9.03048 -3.10749 3.75835 TIMING: 4283200 CPU: 13851.9, 0.00320186/step Wall: 13851.9, 0.00320186/step, 0.637526 hours remaining, 236.496094 MB of memory in use. ENERGY: 4283200 3940.0739 20362.9845 14457.3792 238.6521 -203433.6256 2454.8907 0.0000 0.0000 52075.3275 -109904.3176 299.2776 -161979.6451 -109536.9894 298.5399 -107.9405 -79.0330 758759.6425 4.1785 4.2895 PRESSURE: 4283400 -61.414 7.43253 142.938 7.43216 -215.553 -38.7383 142.938 -38.7383 117.899 GPRESSURE: 4283400 -137.019 18.2302 177.441 170.706 -107.196 -32.4275 54.1177 -121.257 173.49 PRESSAVG: 4283400 48.8344 7.23247 33.6122 7.23249 -54.9431 11.6984 33.6122 11.6983 -22.4058 GPRESSAVG: 4283400 49.8977 7.7955 33.3956 8.15598 -55.6262 12.2271 32.2161 10.7516 -22.7734 TIMING: 4283400 CPU: 13852.6, 0.00316153/step Wall: 13852.6, 0.00316153/step, 0.629321 hours remaining, 236.496094 MB of memory in use. ENERGY: 4283400 3996.0108 20348.3192 14455.3891 256.1517 -203418.0228 2430.9843 0.0000 0.0000 52032.4203 -109898.7473 299.0310 -161931.1676 -109535.0651 298.6639 -53.0225 -23.5748 760331.0341 -9.5048 -9.5007 PRESSURE: 4283600 421.071 172.305 -143.015 172.304 280.478 -18.001 -143.015 -18.0013 395.829 GPRESSURE: 4283600 468.125 210.393 -134.783 240.915 316.295 63.7519 -68.8772 -37.8816 414.722 PRESSAVG: 4283600 36.6824 37.2118 -4.5397 37.2117 -9.726 -47.6218 -4.53971 -47.6218 34.6911 GPRESSAVG: 4283600 36.0092 37.3243 -3.09519 37.888 -9.44702 -50.2139 -2.67613 -46.1234 35.3874 TIMING: 4283600 CPU: 13853.2, 0.00315527/step Wall: 13853.2, 0.00315527/step, 0.627899 hours remaining, 236.496094 MB of memory in use. ENERGY: 4283600 3911.4781 20497.0806 14481.2772 251.7884 -203273.1244 2496.4291 0.0000 0.0000 51892.8089 -109742.2621 298.2287 -161635.0710 -109386.9455 298.8929 365.7928 399.7137 760720.7270 20.5492 20.6498 PRESSURE: 4283800 -92.6761 100.465 -361.608 100.465 -178.604 139.606 -361.607 139.606 -63.2336 GPRESSURE: 4283800 -186.335 129.137 -370.942 73.3541 8.22 29.558 -211.754 261.983 -69.9342 PRESSAVG: 4283800 6.24388 28.6895 -24.7075 28.6895 13.7236 -22.6779 -24.7075 -22.678 18.979 GPRESSAVG: 4283800 7.33667 27.5991 -25.0353 26.8481 14.1059 -20.2871 -23.7682 -23.8259 18.2454 TIMING: 4283800 CPU: 13853.8, 0.00321328/step Wall: 13853.8, 0.00321328/step, 0.639263 hours remaining, 236.496094 MB of memory in use. ENERGY: 4283800 4009.5106 20479.1401 14450.6724 232.7610 -203655.9801 2552.6311 0.0000 0.0000 52214.8587 -109716.4062 300.0795 -161931.2649 -109348.3742 298.9960 -111.5044 -82.6832 761932.1681 12.9822 13.2293 PRESSURE: 4284000 324.626 -149.862 129.709 -149.862 109.892 243.247 129.709 243.247 -263.659 GPRESSURE: 4284000 338.4 -82.9783 145.452 -89.165 125.803 230.528 0.410609 42.3619 -224.117 PRESSAVG: 4284000 28.3688 17.3209 8.75178 17.3209 -38.4853 28.6398 8.75176 28.6398 -4.92731 GPRESSAVG: 4284000 27.7675 16.472 10.0237 20.7507 -38.1419 28.3337 6.96376 27.7596 -4.4405 TIMING: 4284000 CPU: 13854.5, 0.0032114/step Wall: 13854.5, 0.0032114/step, 0.638712 hours remaining, 236.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 3977.4781 20580.4877 14545.9353 237.4684 -203751.6851 2626.4903 0.0000 0.0000 51934.5369 -109849.2883 298.4685 -161783.8252 -109483.1260 298.7225 56.9528 80.0287 760585.1853 -5.0146 -4.9383 PRESSURE: 4284200 132.526 86.2663 -163.593 86.2656 5.98954 79.4333 -163.593 79.4324 -42.2736 GPRESSURE: 4284200 161.75 96.057 -185.624 29.7932 41.2184 83.9646 -143.383 -36.3213 -22.1157 PRESSAVG: 4284200 35.2985 43.5628 30.5664 43.5628 -25.7214 4.04673 30.5663 4.04672 -11.6937 GPRESSAVG: 4284200 34.9611 44.6673 29.1154 40.825 -26.4985 3.31726 30.0239 4.71413 -10.335 TIMING: 4284200 CPU: 13855.1, 0.00321729/step Wall: 13855.1, 0.00321729/step, 0.639704 hours remaining, 236.496094 MB of memory in use. ENERGY: 4284200 3979.0860 20607.0554 14475.4582 242.5145 -203827.2421 2707.6062 0.0000 0.0000 52119.5505 -109695.9715 299.5318 -161815.5219 -109338.4526 298.6263 32.0807 60.2843 759508.5412 -0.7055 -0.6241 LDB: ============= START OF LOAD BALANCING ============== 13867.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13867.5 LDB: =============== DONE WITH MIGRATION ================ 13867.5 LDB: ============= START OF LOAD BALANCING ============== 13867.9 LDB: Largest compute 7033 load 0.034042 is 17.4% of average load 0.195497 LDB: Average compute 0.004388 is 2.2% of average load 0.195497 LDB: TIME 13867.9 LOAD: AVG 0.195497 MAX 0.214578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.691 MB LDB: TIME 13867.9 LOAD: AVG 0.195497 MAX 0.214578 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.715 MB LDB: TIME 13867.9 LOAD: AVG 0.195497 MAX 0.214578 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.715 MB LDB: ============== END OF LOAD BALANCING =============== 13867.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13867.9 PRESSURE: 4284400 341.203 76.8821 9.62153 76.8816 7.74482 42.2809 9.62159 42.2811 358.466 GPRESSURE: 4284400 464.257 33.8149 -36.8785 42.4284 -32.9075 67.0199 84.0937 8.47434 357.7 PRESSAVG: 4284400 3.38815 20.4835 -0.937727 20.4835 5.29085 -17.6352 -0.937735 -17.6353 -11.7879 GPRESSAVG: 4284400 3.91319 20.1896 -0.97087 20.2628 5.86421 -16.4302 -0.758992 -17.8229 -12.2884 TIMING: 4284400 CPU: 13855.8, 0.00329995/step Wall: 13855.8, 0.00329994/step, 0.655956 hours remaining, 235.906250 MB of memory in use. ENERGY: 4284400 4013.8637 20602.2872 14421.2663 264.8411 -203923.0349 3076.4011 0.0000 0.0000 51983.9965 -109560.3790 298.7527 -161544.3756 -109198.0977 298.7943 235.8045 263.0168 759459.5053 -1.0363 -0.8370 PRESSURE: 4284600 -485.663 -25.7777 -221.914 -25.7777 -80.492 -31.6628 -221.914 -31.6626 42.6637 GPRESSURE: 4284600 -391.247 -11.3831 -254.232 -31.8025 -15.581 -72.7902 -163.221 -36.753 -14.8369 PRESSAVG: 4284600 51.7967 19.8627 61.9971 19.8628 -37.4555 5.98957 61.997 5.98956 45.318 GPRESSAVG: 4284600 52.7027 20.2375 62.4623 20.1779 -37.9327 4.41807 63.5722 7.92016 45.0539 TIMING: 4284600 CPU: 13856.4, 0.00323677/step Wall: 13856.4, 0.00323677/step, 0.643219 hours remaining, 236.421875 MB of memory in use. ENERGY: 4284600 4033.3448 20310.9541 14458.3357 247.7924 -203417.7695 2550.5788 0.0000 0.0000 52233.3800 -109583.3838 300.1860 -161816.7638 -109223.1576 299.2444 -174.4972 -140.5551 761433.8441 19.8864 19.9413 PRESSURE: 4284800 387.496 63.1187 -1.87131 63.1179 99.9144 -149.327 -1.87094 -149.327 414.31 GPRESSURE: 4284800 274.979 -4.41303 -45.9753 -36.72 209.992 24.8994 23.0773 -136.117 516.253 PRESSAVG: 4284800 50.5431 -13.6242 56.3477 -13.6242 -54.5181 -21.1085 56.3477 -21.1086 3.32901 GPRESSAVG: 4284800 50.1383 -13.7168 55.9301 -11.0708 -53.9018 -20.7487 54.3871 -21.98 2.57354 TIMING: 4284800 CPU: 13857.1, 0.00321174/step Wall: 13857.1, 0.00321174/step, 0.638065 hours remaining, 236.421875 MB of memory in use. ENERGY: 4284800 3993.4395 20340.9449 14504.3856 268.7309 -203318.1638 2714.4019 0.0000 0.0000 52324.0135 -109172.2476 300.7068 -161496.2611 -108805.4170 299.8181 300.5736 333.7414 761714.0543 -0.2153 -0.3967 PRESSURE: 4285000 31.6742 120.977 235.644 120.977 83.8654 -148.129 235.644 -148.129 -75.6346 GPRESSURE: 4285000 72.6978 106.781 248.612 91.6197 168.35 -75.9812 253.219 -115.046 -118.016 PRESSAVG: 4285000 15.7017 -2.66047 -3.57378 -2.66047 -12.5946 -39.3413 -3.57377 -39.3413 -19.4714 GPRESSAVG: 4285000 14.6027 -3.17495 -4.59958 -4.70582 -11.4802 -38.6868 -2.7185 -40.3585 -19.4723 TIMING: 4285000 CPU: 13857.7, 0.00321944/step Wall: 13857.7, 0.00321944/step, 0.639417 hours remaining, 236.421875 MB of memory in use. ENERGY: 4285000 4040.9217 20411.1747 14496.2586 232.1275 -203031.8336 2493.3299 0.0000 0.0000 52049.6223 -109308.3988 299.1299 -161358.0211 -108947.6392 299.8218 13.3016 41.0105 763095.3552 -5.4548 -5.4499 PRESSURE: 4285200 224.759 -30.5841 -49.445 -30.5837 255.098 76.1843 -49.4452 76.1836 -76.9481 GPRESSURE: 4285200 215.025 58.0389 -55.9208 10.1955 261.271 48.3925 -35.1822 17.9503 11.549 PRESSAVG: 4285200 83.2284 21.5733 -34.7974 21.5733 -72.3775 -27.9461 -34.7975 -27.9461 4.34496 GPRESSAVG: 4285200 84.0596 23.6918 -35.29 20.1331 -74.8287 -27.7468 -34.7495 -27.405 6.88428 TIMING: 4285200 CPU: 13858.4, 0.00323253/step Wall: 13858.4, 0.00323253/step, 0.641838 hours remaining, 236.421875 MB of memory in use. ENERGY: 4285200 3926.7698 20558.4966 14522.1248 266.5599 -203344.1838 2677.1892 0.0000 0.0000 52096.6776 -109296.3659 299.4003 -161393.0435 -108944.6433 299.2552 134.3031 162.6148 760889.6217 5.0653 5.3717 PRESSURE: 4285400 -188.944 54.5089 9.89825 54.508 106.633 186.895 9.89769 186.895 -143.246 GPRESSURE: 4285400 -135.075 138.638 14.1696 88.0455 98.9282 289.055 27.6705 114.805 -110.9 PRESSAVG: 4285400 16.3567 -9.53387 6.85142 -9.53392 -22.8519 -21.363 6.85139 -21.3629 5.19678 GPRESSAVG: 4285400 17.4888 -9.77656 8.94108 -8.87197 -21.6583 -23.5159 7.79436 -21.5994 3.30169 TIMING: 4285400 CPU: 13859, 0.00320044/step Wall: 13859, 0.00320044/step, 0.635287 hours remaining, 236.421875 MB of memory in use. ENERGY: 4285400 3932.6679 20553.9292 14509.1390 252.0824 -203333.7449 2540.0068 0.0000 0.0000 52025.5224 -109520.3972 298.9914 -161545.9195 -109158.1257 299.2919 -75.1853 -49.0158 762070.8678 -0.4328 -0.2893 PRESSURE: 4285600 98.1037 226.551 -78.7464 226.552 478.728 -217.369 -78.7467 -217.368 72.1219 GPRESSURE: 4285600 53.5418 180.466 9.26316 191.551 550.01 -145.137 -108.328 -261.666 137.344 PRESSAVG: 4285600 10.0707 27.0845 -22.1523 27.0845 -51.4235 17.3206 -22.1523 17.3207 -4.77577 GPRESSAVG: 4285600 9.71732 26.4012 -23.4427 28.2672 -51.2127 18.8637 -22.4109 17.575 -4.62747 TIMING: 4285600 CPU: 13859.6, 0.00318534/step Wall: 13859.6, 0.00318534/step, 0.632112 hours remaining, 236.421875 MB of memory in use. ENERGY: 4285600 3946.1849 20435.0681 14498.2464 247.4520 -203817.0260 2867.6904 0.0000 0.0000 52526.6530 -109295.7312 301.8714 -161822.3842 -108920.1699 299.4070 216.3180 246.9654 761291.5978 -15.3762 -15.3743 PRESSURE: 4285800 -330.617 100.06 294.498 100.061 91.6124 73.9471 294.496 73.9474 -30.0406 GPRESSURE: 4285800 -203.294 104.499 292.456 66.9836 14.0058 42.4173 170.872 126.935 9.19174 PRESSAVG: 4285800 7.869 21.4004 -64.2777 21.4005 -25.4409 44.1734 -64.2777 44.1733 -10.5295 GPRESSAVG: 4285800 7.52761 20.8115 -64.8498 20.269 -24.7659 43.5607 -63.9148 44.6912 -11.072 TIMING: 4285800 CPU: 13860.3, 0.00320947/step Wall: 13860.3, 0.00320947/step, 0.636724 hours remaining, 236.421875 MB of memory in use. ENERGY: 4285800 3941.5155 20623.0884 14458.0948 241.8458 -203331.5808 2500.7484 0.0000 0.0000 52115.8023 -109450.4855 299.5102 -161566.2878 -109071.5669 299.5487 -89.6818 -60.0322 761604.0555 -9.3671 -9.4368 PRESSURE: 4286000 -206.931 66.1176 -38.9221 66.1182 -102.8 56.0667 -38.9223 56.0676 -111.311 GPRESSURE: 4286000 -144.284 81.93 -36.5874 84.2162 -18.6737 80.9182 25.1903 -1.29512 -167.414 PRESSAVG: 4286000 -0.429743 20.173 -8.40623 20.173 4.90513 12.6567 -8.40624 12.6566 -3.99978 GPRESSAVG: 4286000 -1.60528 20.1711 -7.67231 20.8112 4.03499 13.9866 -8.45311 11.9446 -2.51366 TIMING: 4286000 CPU: 13860.9, 0.00324009/step Wall: 13860.9, 0.00324009/step, 0.642618 hours remaining, 236.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4286000 4004.9952 20504.9413 14421.5337 242.0348 -203315.5350 2621.7722 0.0000 0.0000 52091.4246 -109428.8332 299.3701 -161520.2578 -109061.7019 299.5641 -140.3474 -110.1238 762302.4202 0.1585 -0.0280 PRESSURE: 4286200 -265.77 -75.6069 5.42413 -75.6075 -110.904 -146.12 5.42442 -146.12 -522.832 GPRESSURE: 4286200 -195.625 1.57213 51.9798 -57.2667 -106.974 -117.75 27.6107 -78.8581 -514.613 PRESSAVG: 4286200 -31.9453 -13.6341 -20.0346 -13.6342 37.7603 17.5335 -20.0345 17.5335 -0.25945 GPRESSAVG: 4286200 -30.3278 -12.7447 -21.2145 -14.4451 38.0732 17.6003 -20.9834 17.8351 -1.68976 TIMING: 4286200 CPU: 13861.6, 0.00322061/step Wall: 13861.6, 0.00322061/step, 0.638576 hours remaining, 236.421875 MB of memory in use. ENERGY: 4286200 3999.4194 20608.6342 14539.5699 237.3130 -202443.3078 1803.7687 0.0000 0.0000 51933.9747 -109320.6279 298.4653 -161254.6025 -108954.8077 299.5977 -299.8355 -272.4039 762186.3316 1.8518 2.0186 PRESSURE: 4286400 -368.061 102.418 -18.4216 102.418 -30.3569 67.6086 -18.4212 67.609 -5.47992 GPRESSURE: 4286400 -279.79 27.9037 0.712693 122.173 -76.9503 66.814 57.7782 86.7896 33.7283 PRESSAVG: 4286400 -4.68933 -1.81481 -21.9483 -1.81482 -6.37769 23.5853 -21.9482 23.5854 17.218 GPRESSAVG: 4286400 -4.17022 -1.97699 -20.0786 -0.845995 -7.65389 22.3458 -21.0977 23.3627 18.1852 TIMING: 4286400 CPU: 13862.2, 0.00324267/step Wall: 13862.2, 0.00324267/step, 0.642769 hours remaining, 236.421875 MB of memory in use. ENERGY: 4286400 3987.0907 20571.6934 14515.7549 256.9073 -203317.0373 2527.5519 0.0000 0.0000 52060.8580 -109397.1812 299.1945 -161458.0392 -109035.9842 299.1858 -134.6326 -107.6706 762726.1257 2.0503 2.1204 PRESSURE: 4286600 56.4034 -215.069 92.7295 -215.07 -353.902 85.1358 92.7297 85.1354 -94.1619 GPRESSURE: 4286600 74.0925 -254.666 113.299 -202.378 -295.165 74.8513 -45.6864 34.5372 -88.7398 PRESSAVG: 4286600 41.7163 -18.2751 -65.2473 -18.275 -58.748 56.1369 -65.2472 56.1369 -1.67954 GPRESSAVG: 4286600 42.3062 -18.8847 -67.1968 -18.9836 -58.1431 56.5363 -65.2432 56.1085 -2.65427 TIMING: 4286600 CPU: 13862.9, 0.0032267/step Wall: 13862.9, 0.0032267/step, 0.639424 hours remaining, 236.421875 MB of memory in use. ENERGY: 4286600 3985.1066 20456.4344 14496.2647 253.2589 -203408.7262 2669.3664 0.0000 0.0000 52258.6358 -109289.6594 300.3311 -161548.2952 -108932.9083 299.3222 -130.5535 -103.2709 760699.3413 -6.2371 -6.1637 PRESSURE: 4286800 206.192 -98.5799 -78.5322 -98.5792 421.26 159.775 -78.5312 159.774 863.215 GPRESSURE: 4286800 304.146 -124.053 -157.546 -70.8516 460.261 148.312 4.64174 224.308 817.917 PRESSAVG: 4286800 70.3837 -49.693 2.47949 -49.6929 -26.7485 49.1434 2.4795 49.1433 27.3316 GPRESSAVG: 4286800 69.1014 -49.0821 2.94777 -47.9241 -25.5294 47.5468 2.29703 48.5673 27.6507 TIMING: 4286800 CPU: 13863.5, 0.00323397/step Wall: 13863.5, 0.00323397/step, 0.640686 hours remaining, 236.421875 MB of memory in use. ENERGY: 4286800 3861.9209 20395.1840 14534.3062 259.7603 -203397.1343 2835.8027 0.0000 0.0000 52116.0249 -109394.1353 299.5115 -161510.1602 -109039.2585 299.7500 496.8891 527.4416 758701.1179 23.6556 23.7409 PRESSURE: 4287000 -274.248 -97.9125 -165.963 -97.9126 -346.037 24.5064 -165.963 24.5063 -67.5146 GPRESSURE: 4287000 -269.39 -11.0995 -142.94 -30.4912 -295.761 96.48 -250.814 85.9634 -21.4571 PRESSAVG: 4287000 49.3186 -29.3201 -40.4819 -29.32 -69.8215 33.9127 -40.4819 33.9127 -22.8875 GPRESSAVG: 4287000 51.0792 -29.4976 -39.4741 -30.409 -70.3637 35.8522 -42.7555 35.748 -24.0937 TIMING: 4287000 CPU: 13864.1, 0.00320501/step Wall: 13864.1, 0.00320501/step, 0.634771 hours remaining, 236.421875 MB of memory in use. ENERGY: 4287000 4031.6123 20479.6906 14438.8937 265.7903 -202909.7447 2264.6393 0.0000 0.0000 52261.0612 -109168.0573 300.3450 -161429.1185 -108798.4624 299.7537 -229.2666 -195.5359 761413.3145 -14.4635 -14.4594 PRESSURE: 4287200 133.645 -117.704 165.963 -117.704 -19.2546 9.61553 165.964 9.61645 -22.9998 GPRESSURE: 4287200 112.64 -85.8627 195.052 -108.638 -45.921 -0.98139 120.188 -17.1663 115.552 PRESSAVG: 4287200 33.3361 -39.4937 -16.0175 -39.4937 -32.1682 52.7526 -16.0175 52.7526 29.5462 GPRESSAVG: 4287200 31.2959 -39.7575 -16.7143 -38.7686 -30.5322 52.4491 -13.3914 50.2901 30.5457 TIMING: 4287200 CPU: 13864.8, 0.00321345/step Wall: 13864.8, 0.00321345/step, 0.636264 hours remaining, 236.421875 MB of memory in use. ENERGY: 4287200 3905.8225 20432.3691 14535.5869 268.9486 -203142.3794 2589.5601 0.0000 0.0000 52355.3031 -109054.7890 300.8866 -161410.0921 -108692.4927 300.0309 30.4635 60.7568 760461.3603 10.2380 10.4365 PRESSURE: 4287400 -95.8791 -8.20512 106.471 -8.20536 -49.4248 180.441 106.471 180.442 200.01 GPRESSURE: 4287400 -48.1515 -134.426 140.189 -71.8457 -15.9117 89.6218 38.9582 189.823 219.502 PRESSAVG: 4287400 -0.301727 -40.9803 -11.1991 -40.9803 -17.8165 15.7468 -11.1991 15.7468 -2.49637 GPRESSAVG: 4287400 1.84796 -41.6493 -11.734 -41.4408 -18.9025 14.5456 -11.1747 17.7476 -3.03056 TIMING: 4287400 CPU: 13865.4, 0.00321363/step Wall: 13865.4, 0.00321363/step, 0.63612 hours remaining, 236.421875 MB of memory in use. ENERGY: 4287400 4004.9874 20457.1574 14450.8465 226.6342 -203281.7786 2698.5320 0.0000 0.0000 52180.3771 -109263.2441 299.8813 -161443.6212 -108911.1805 299.4309 18.2354 51.8131 761312.2750 -6.8715 -6.6950 PRESSURE: 4287600 -43.1811 -40.4864 15.9254 -40.4864 241.273 -126.208 15.9254 -126.206 -105.468 GPRESSURE: 4287600 21.1861 -40.9101 163.803 125.987 192.074 5.55858 89.3973 -44.6647 -64.8324 PRESSAVG: 4287600 12.0146 -8.33433 -6.60653 -8.33432 14.2353 -3.94075 -6.6065 -3.94083 -13.7547 GPRESSAVG: 4287600 11.5825 -6.80722 -5.10649 -10.0494 13.1903 -3.79283 -6.58958 -2.06709 -12.2976 TIMING: 4287600 CPU: 13866.1, 0.00320802/step Wall: 13866.1, 0.00320802/step, 0.634831 hours remaining, 236.421875 MB of memory in use. ENERGY: 4287600 3984.7791 20768.0820 14373.5062 239.4304 -202913.9493 2321.2742 0.0000 0.0000 52009.7303 -109217.1470 298.9006 -161226.8773 -108866.9686 299.6109 30.8748 49.4758 759801.5243 4.1650 4.1584 PRESSURE: 4287800 -416.689 -161.317 -49.327 -161.317 -178.732 33.1393 -49.327 33.139 -579.646 GPRESSURE: 4287800 -268.49 -100.102 -95.5387 -28.9417 -274.884 74.0667 -81.933 64.8593 -537.25 PRESSAVG: 4287800 -10.3679 33.6434 8.37238 33.6434 24.3468 -16.1193 8.37232 -16.1193 -6.89874 GPRESSAVG: 4287800 -8.94015 33.3808 6.26165 36.1953 23.5698 -14.5345 10.0596 -18.229 -7.75014 TIMING: 4287800 CPU: 13866.7, 0.00321114/step Wall: 13866.7, 0.00321114/step, 0.63527 hours remaining, 236.421875 MB of memory in use. ENERGY: 4287800 3983.8149 20415.3936 14484.1786 235.5916 -202974.4632 2351.1238 0.0000 0.0000 52123.3852 -109380.9755 299.5538 -161504.3607 -109025.0977 299.5915 -391.6891 -360.2082 760555.0502 2.3601 2.2932 PRESSURE: 4288000 -43.0721 -30.0336 -66.6889 -30.0344 -452.356 -139.534 -66.6895 -139.533 -208.559 GPRESSURE: 4288000 -54.2546 -77.0552 -100.822 -40.7128 -367.27 -137.391 30.9703 -20.6808 -194.87 PRESSAVG: 4288000 -0.127164 -22.7313 45.132 -22.7313 3.38975 -0.560007 45.132 -0.560048 -12.8734 GPRESSAVG: 4288000 -2.45366 -23.5739 45.7799 -23.9887 4.78159 -0.93373 42.13 -2.8652 -11.6754 TIMING: 4288000 CPU: 13867.4, 0.00323925/step Wall: 13867.4, 0.00323925/step, 0.640651 hours remaining, 236.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4288000 3999.3828 20396.2770 14353.3468 236.7358 -202951.1225 2340.4367 0.0000 0.0000 52312.6543 -109312.2890 300.6415 -161624.9433 -108948.1250 299.8625 -234.6624 -205.4648 761262.8836 -3.2036 -3.1158 PRESSURE: 4288200 50.0927 6.97008 162.355 6.96962 -37.8381 -112.631 162.355 -112.632 -39.4273 GPRESSURE: 4288200 67.9506 -27.8183 122.016 115.773 -42.9295 -134.287 82.106 -48.1931 21.3849 PRESSAVG: 4288200 35.1965 -21.42 31.7254 -21.42 -25.7938 50.9053 31.7255 50.9053 6.59008 GPRESSAVG: 4288200 36.4557 -21.6867 31.9047 -21.1038 -26.12 49.0968 34.6058 53.7806 5.90004 TIMING: 4288200 CPU: 13868, 0.00319981/step Wall: 13868, 0.00319981/step, 0.632673 hours remaining, 236.421875 MB of memory in use. ENERGY: 4288200 3999.0064 20373.0175 14374.0325 252.8437 -203047.2919 2482.0257 0.0000 0.0000 52408.3691 -109157.9970 301.1916 -161566.3661 -108795.5916 300.2608 -9.0576 15.4686 760042.0141 5.3309 5.4119 LDB: ============= START OF LOAD BALANCING ============== 13880.4 LDB: ============== END OF LOAD BALANCING =============== 13880.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13880.4 LDB: ============= START OF LOAD BALANCING ============== 13880.7 LDB: Largest compute 7033 load 0.033165 is 17.0% of average load 0.195555 LDB: Average compute 0.004383 is 2.2% of average load 0.195555 LDB: TIME 13880.8 LOAD: AVG 0.195555 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.746 MB LDB: TIME 13880.8 LOAD: AVG 0.195555 MAX 0.216105 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.84 MB LDB: TIME 13880.8 LOAD: AVG 0.195555 MAX 0.216105 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.84 MB LDB: ============== END OF LOAD BALANCING =============== 13880.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13880.8 PRESSURE: 4288400 -64.2773 181.605 84.387 181.604 181.872 -142.851 84.3872 -142.851 -15.1147 GPRESSURE: 4288400 -8.55389 125.664 153.272 144.696 201.366 -191.611 25.2816 -45.3019 5.50763 PRESSAVG: 4288400 11.758 31.8023 61.2359 31.8024 -12.1233 9.23537 61.2359 9.23538 -19.9838 GPRESSAVG: 4288400 10.2575 31.0566 61.9793 32.3718 -10.6669 10.2822 60.1077 8.11944 -19.534 TIMING: 4288400 CPU: 13868.7, 0.00324158/step Wall: 13868.7, 0.00324158/step, 0.640753 hours remaining, 236.152344 MB of memory in use. ENERGY: 4288400 3959.2799 20655.9455 14437.0114 249.6735 -202952.6178 2453.3246 0.0000 0.0000 52073.9975 -109123.3854 299.2700 -161197.3829 -108759.7438 299.6828 34.1601 66.1066 761700.2530 -6.7830 -6.6478 PRESSURE: 4288600 585.283 269.025 -81.7286 269.026 -121.183 -55.2685 -81.7284 -55.2685 70.8696 GPRESSURE: 4288600 620.508 216.62 10.322 265.014 -96.2682 -44.8217 -178.072 -174.963 65.5756 PRESSAVG: 4288600 61.0799 49.7945 -16.8484 49.7946 -62.6532 -2.10578 -16.8485 -2.10582 -0.838924 GPRESSAVG: 4288600 62.2879 50.6324 -16.9674 50.2587 -64.6686 -2.89028 -17.1009 -0.342682 -0.566307 TIMING: 4288600 CPU: 13869.3, 0.00318887/step Wall: 13869.3, 0.00318887/step, 0.630156 hours remaining, 236.222656 MB of memory in use. ENERGY: 4288600 3996.4543 20532.7854 14451.3971 239.8456 -203235.4256 2723.7243 0.0000 0.0000 52135.5238 -109155.6951 299.6236 -161291.2189 -108794.4115 299.5996 178.3231 196.6051 761756.8791 -0.8041 -0.9824 PRESSURE: 4288800 34.8841 -71.867 46.7424 -71.8677 87.5823 153.072 46.7427 153.071 -106.092 GPRESSURE: 4288800 98.3813 -132.395 103.753 -120.3 83.592 76.8535 15.9147 113.72 -71.6881 PRESSAVG: 4288800 36.7474 5.73541 -43.1341 5.73542 -70.5792 64.0304 -43.1341 64.0304 13.803 GPRESSAVG: 4288800 36.2826 5.68552 -42.9197 4.14075 -70.0462 63.5768 -44.8753 63.3366 13.8754 TIMING: 4288800 CPU: 13869.9, 0.00314698/step Wall: 13869.9, 0.00314698/step, 0.621703 hours remaining, 236.222656 MB of memory in use. ENERGY: 4288800 3948.7267 20550.8016 14455.2856 250.2060 -202809.9849 2436.1649 0.0000 0.0000 52088.2148 -109080.5853 299.3517 -161168.8001 -108716.1757 299.7556 5.4580 36.7617 762820.5796 -6.6763 -6.6294 PRESSURE: 4289000 -141.151 -117.41 -288.083 -117.41 422.62 105.473 -288.082 105.475 -189.291 GPRESSURE: 4289000 -120.142 -146.598 -208.606 -216.635 386.994 183.305 -190.063 -72.0915 -87.8479 PRESSAVG: 4289000 -9.66039 -21.7303 -9.58309 -21.7304 -0.574913 21.1007 -9.58306 21.1008 -9.96312 GPRESSAVG: 4289000 -9.64339 -21.3631 -9.57897 -20.839 -0.149908 22.2687 -8.08818 21.1944 -10.6382 TIMING: 4289000 CPU: 13870.6, 0.00317535/step Wall: 13870.6, 0.00317535/step, 0.627132 hours remaining, 236.222656 MB of memory in use. ENERGY: 4289000 4005.9680 20468.9557 14448.1770 246.4581 -202753.6212 2332.0257 0.0000 0.0000 51953.4803 -109298.5564 298.5774 -161252.0368 -108937.6091 299.6217 30.7259 59.6682 759582.8224 -6.7328 -6.8105 PRESSURE: 4289200 -341.584 56.8021 214.993 56.8021 -156.417 -190.229 214.993 -190.229 -137.718 GPRESSURE: 4289200 -333.753 9.86341 180.601 47.8081 -98.7421 -262.758 152.154 -215.345 -139.396 PRESSAVG: 4289200 27.5671 -38.8517 43.1638 -38.8517 -13.6157 27.432 43.1638 27.432 1.39448 GPRESSAVG: 4289200 27.1534 -37.8437 44.2182 -38.977 -13.3365 26.9273 42.6829 26.8821 0.900504 TIMING: 4289200 CPU: 13871.2, 0.00320513/step Wall: 13871.2, 0.00320513/step, 0.632835 hours remaining, 236.222656 MB of memory in use. ENERGY: 4289200 3954.3184 20654.1690 14400.2017 245.2771 -202642.2101 2011.5378 0.0000 0.0000 52021.0962 -109355.6099 298.9660 -161376.7062 -108985.4381 299.2636 -211.9060 -190.6301 760613.0700 5.1153 4.9058 PRESSURE: 4289400 229.999 298.338 -40.2496 298.338 -49.8388 -25.9179 -40.25 -25.9178 -201.902 GPRESSURE: 4289400 311.3 190.435 79.3121 242.078 -29.577 67.7555 -51.8794 -104.326 -232.575 PRESSAVG: 4289400 91.9856 16.7893 30.6251 16.7894 -32.0016 5.60566 30.6252 5.60566 -8.81632 GPRESSAVG: 4289400 92.1695 16.8124 28.9914 17.2175 -32.0724 5.20255 31.7704 5.21384 -9.11661 TIMING: 4289400 CPU: 13871.8, 0.00319856/step Wall: 13871.8, 0.00319856/step, 0.631361 hours remaining, 236.222656 MB of memory in use. ENERGY: 4289400 4059.7760 20602.2224 14362.2036 241.3310 -202990.3226 2057.6549 0.0000 0.0000 52354.3744 -109312.7602 300.8813 -161667.1347 -108945.0668 299.3500 -7.2473 16.3827 758741.2198 17.0559 16.9935 PRESSURE: 4289600 -114.251 -74.9363 121.843 -74.9366 -213.406 -19.2982 121.843 -19.2985 -162.448 GPRESSURE: 4289600 -33.9829 -38.8407 49.6528 -48.2413 -247.251 -47.8359 180.916 -121.379 -108.538 PRESSAVG: 4289600 41.1901 -10.7629 61.1012 -10.7628 -19.7131 14.9477 61.1012 14.9478 4.58429 GPRESSAVG: 4289600 41.6008 -11.2487 62.4973 -12.8423 -21.6024 15.5926 59.5572 14.5361 5.65099 TIMING: 4289600 CPU: 13872.5, 0.00316862/step Wall: 13872.5, 0.00316862/step, 0.625273 hours remaining, 236.222656 MB of memory in use. ENERGY: 4289600 3999.3797 20541.3971 14415.9431 228.6922 -202623.5208 2212.1158 0.0000 0.0000 52069.5764 -109156.4166 299.2446 -161225.9929 -108797.1076 300.0098 -163.3684 -129.9239 761118.5276 8.6871 8.5498 PRESSURE: 4289800 -126.497 -294.89 171.792 -294.889 -18.0683 59.7371 171.792 59.7377 -9.55374 GPRESSURE: 4289800 -155.042 -233.633 147.621 -225.32 17.7871 105.934 294.137 122.278 60.9018 PRESSAVG: 4289800 38.5842 -70.1105 34.6012 -70.1105 -36.6478 30.7357 34.6012 30.7357 12.5192 GPRESSAVG: 4289800 36.2243 -71.0061 33.2705 -68.3394 -34.2966 30.3791 36.0299 32.2906 12.2194 TIMING: 4289800 CPU: 13873.1, 0.00317133/step Wall: 13873.1, 0.00317133/step, 0.625633 hours remaining, 236.222656 MB of memory in use. ENERGY: 4289800 3985.4799 20503.7483 14451.2233 248.3043 -202882.0120 2465.5557 0.0000 0.0000 52160.8324 -109066.8680 299.7690 -161227.7004 -108713.2177 300.3358 -51.3730 -25.4511 761360.7604 4.8185 4.7157 PRESSURE: 4290000 246.408 193.826 0.732921 193.826 157.789 -65.5037 0.732597 -65.5042 253.801 GPRESSURE: 4290000 245.286 79.9777 7.08755 101.881 188.855 -22.8619 23.5178 8.4513 297.226 PRESSAVG: 4290000 -3.79106 -50.8773 27.5587 -50.8772 30.9646 -15.205 27.5587 -15.205 0.880166 GPRESSAVG: 4290000 -2.00438 -50.2461 27.8151 -52.8581 29.2743 -14.2912 26.6405 -18.1586 0.570884 TIMING: 4290000 CPU: 13873.7, 0.00318952/step Wall: 13873.7, 0.00318952/step, 0.629044 hours remaining, 236.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 3927.2033 20411.8100 14472.3997 259.0113 -203472.1014 2740.7909 0.0000 0.0000 52514.8758 -109146.0106 301.8037 -161660.8863 -108783.4495 300.4883 219.3329 243.7890 760476.9465 9.3512 9.2803 PRESSURE: 4290200 -302.517 91.5392 -44.2431 91.5389 -31.3117 -117.155 -44.2439 -117.156 -398.56 GPRESSURE: 4290200 -281.66 105.262 -77.0726 -13.0953 27.7622 -43.4348 -92.2131 -79.542 -394.885 PRESSAVG: 4290200 9.81096 -18.1726 16.4388 -18.1726 12.0736 -35.2976 16.4388 -35.2976 -8.14679 GPRESSAVG: 4290200 8.39697 -18.4558 17.8477 -18.6437 13.9673 -35.7277 15.8325 -31.5371 -8.92978 TIMING: 4290200 CPU: 13874.4, 0.00322162/step Wall: 13874.4, 0.00322162/step, 0.635196 hours remaining, 236.222656 MB of memory in use. ENERGY: 4290200 3979.9001 20445.0294 14365.2511 272.8504 -202696.5167 2452.7913 0.0000 0.0000 52139.9143 -109040.7800 299.6488 -161180.6943 -108679.5087 300.2940 -244.1296 -216.2608 762357.4852 4.5793 4.4782 PRESSURE: 4290400 -128.957 -144.656 58.9032 -144.655 -217.769 85.1172 58.9033 85.1179 -138.779 GPRESSURE: 4290400 -139.872 -216.319 132.243 -32.7227 -155.079 93.4508 41.5755 67.0116 -91.0782 PRESSAVG: 4290400 48.6625 44.6113 25.8911 44.6113 -110.118 17.7258 25.8911 17.7258 16.3334 GPRESSAVG: 4290400 48.8355 43.0565 24.2243 48.9304 -109.916 19.4908 27.2994 17.4195 15.7851 TIMING: 4290400 CPU: 13875, 0.00316486/step Wall: 13875, 0.00316486/step, 0.623828 hours remaining, 236.222656 MB of memory in use. ENERGY: 4290400 3964.3251 20562.3466 14466.3982 250.5165 -202679.7902 2199.5608 0.0000 0.0000 52434.2746 -108802.3683 301.3405 -161236.6429 -108440.6975 300.1906 -161.8350 -128.6763 762981.3038 -15.0408 -15.0985 PRESSURE: 4290600 -136.362 190.064 -87.4258 190.064 -161.537 36.0599 -87.4258 36.06 2.8152 GPRESSURE: 4290600 -15.7388 158.34 -15.7514 146.482 -221.021 68.2915 -102.702 7.79922 18.1872 PRESSAVG: 4290600 56.4436 17.6542 41.445 17.6542 -35.3862 71.8776 41.445 71.8775 -5.78909 GPRESSAVG: 4290600 57.7346 17.8497 41.2545 15.694 -37.1656 70.5668 41.4301 71.2373 -5.13923 TIMING: 4290600 CPU: 13875.7, 0.00316873/step Wall: 13875.7, 0.00316873/step, 0.624416 hours remaining, 236.222656 MB of memory in use. ENERGY: 4290600 3933.7997 20556.9079 14506.2183 282.5471 -202208.1609 1832.5647 0.0000 0.0000 52078.6743 -109017.4489 299.2969 -161096.1232 -108651.6835 300.0209 -98.3614 -72.8574 762516.0798 5.0894 5.1433 PRESSURE: 4290800 89.3908 104.88 -8.39251 104.88 -366.978 -121.181 -8.3919 -121.182 -179.917 GPRESSURE: 4290800 218.073 91.1489 -14.3201 78.636 -414.618 -64.7159 -26.2471 -37.9995 -176.138 PRESSAVG: 4290800 36.8194 -3.19279 5.01035 -3.19272 -59.5434 -28.7142 5.01033 -28.7142 -7.61289 GPRESSAVG: 4290800 36.5423 -3.27666 4.58418 -4.07194 -59.041 -26.5574 5.03917 -30.4502 -7.57295 TIMING: 4290800 CPU: 13876.3, 0.00320902/step Wall: 13876.3, 0.00320902/step, 0.632178 hours remaining, 236.222656 MB of memory in use. ENERGY: 4290800 3987.8587 20484.0866 14499.0353 257.3077 -202791.0398 2181.2331 0.0000 0.0000 52277.7183 -109103.8002 300.4408 -161381.5184 -108731.5759 299.6856 -152.5015 -124.2277 760487.6753 -10.1123 -10.0239 PRESSURE: 4291000 4.7396 -227.313 -80.5339 -227.312 10.1253 8.81259 -80.5339 8.81319 141.801 GPRESSURE: 4291000 82.1316 -74.2584 -96.7364 -268.731 35.0608 -19.521 -31.4745 59.3937 119.371 PRESSAVG: 4291000 56.3089 22.6582 -3.88644 22.6582 -26.5305 -13.6553 -3.88641 -13.6553 -26.7132 GPRESSAVG: 4291000 56.0845 21.9668 -2.00586 23.7033 -25.6832 -16.0529 -5.89689 -12.767 -27.3692 TIMING: 4291000 CPU: 13876.9, 0.0032004/step Wall: 13876.9, 0.0032004/step, 0.630301 hours remaining, 236.222656 MB of memory in use. ENERGY: 4291000 3998.2974 20316.5157 14449.3046 248.3619 -203075.9663 2464.1394 0.0000 0.0000 52396.3801 -109202.9672 301.1227 -161599.3473 -108839.4368 300.1885 52.2220 78.8545 759942.1721 1.0218 1.0107 PRESSURE: 4291200 -0.506135 -12.7618 -254.536 -12.762 18.9343 135.164 -254.535 135.164 394.044 GPRESSURE: 4291200 88.4997 -19.1155 -333.191 26.8429 38.6989 159.613 -171.557 -38.5222 333.321 PRESSAVG: 4291200 75.5268 -24.4691 -12.5725 -24.4692 -65.1981 28.9116 -12.5726 28.9116 -29.2759 GPRESSAVG: 4291200 75.4938 -23.7953 -14.0004 -25.66 -64.9031 29.7501 -10.01 26.549 -29.4438 TIMING: 4291200 CPU: 13877.6, 0.0031729/step Wall: 13877.6, 0.0031729/step, 0.624709 hours remaining, 236.222656 MB of memory in use. ENERGY: 4291200 4011.6119 20498.3030 14459.7302 255.6072 -202814.6823 2355.6138 0.0000 0.0000 52204.6310 -109029.1852 300.0207 -161233.8162 -108656.7753 299.9520 137.4907 153.5064 758770.1121 -6.3157 -6.2844 PRESSURE: 4291400 -584.57 57.2698 7.52695 57.269 -316.311 -56.3599 7.52737 -56.3582 -154.491 GPRESSURE: 4291400 -511.263 47.4154 2.3528 -13.7048 -332.422 -16.9161 -62.9571 -33.2168 -118.365 PRESSAVG: 4291400 58.6396 -15.6076 -45.694 -15.6076 -31.2749 -11.1174 -45.6941 -11.1173 -3.86338 GPRESSAVG: 4291400 58.3784 -16.0068 -46.2719 -16.8222 -31.2429 -10.51 -44.7354 -10.0749 -3.17361 TIMING: 4291400 CPU: 13878.2, 0.00326106/step Wall: 13878.2, 0.00326106/step, 0.641885 hours remaining, 236.222656 MB of memory in use. ENERGY: 4291400 4007.0465 20503.9570 14485.6271 226.4741 -202651.0869 2136.5563 0.0000 0.0000 51934.7580 -109356.6678 298.4698 -161291.4259 -108999.6505 300.1865 -351.7909 -320.6834 760000.9061 7.8338 7.9873 PRESSURE: 4291600 103.096 140.833 -105.447 140.833 -412.615 41.6319 -105.447 41.6318 26.1726 GPRESSURE: 4291600 62.5733 165.352 -72.3772 18.8219 -240.517 50.1843 -198.056 1.31468 -16.4664 PRESSAVG: 4291600 12.4818 -0.198173 13.0171 -0.198216 -26.4629 3.77584 13.0171 3.77584 -15.6238 GPRESSAVG: 4291600 13.0381 -0.259056 12.8205 1.45351 -26.7689 3.18252 11.1107 5.68639 -15.728 TIMING: 4291600 CPU: 13878.9, 0.00325313/step Wall: 13878.9, 0.00325313/step, 0.640144 hours remaining, 236.222656 MB of memory in use. ENERGY: 4291600 3981.7794 20400.3567 14439.1860 241.1545 -203317.5011 2593.9164 0.0000 0.0000 52293.7692 -109367.3388 300.5330 -161661.1080 -109002.9013 299.3760 -94.4488 -64.8033 760018.4429 -9.8683 -9.8196 PRESSURE: 4291800 -82.5105 46.0832 -145.78 46.0828 218.623 174.131 -145.78 174.131 207.406 GPRESSURE: 4291800 -99.6898 -22.3696 -31.6983 -10.0445 335.443 122.708 -80.0836 198.582 195.96 PRESSAVG: 4291800 -31.3103 11.9984 -8.84561 11.9983 -4.92412 -69.0903 -8.8456 -69.0903 -12.4961 GPRESSAVG: 4291800 -31.9101 12.7706 -6.85221 10.3196 -4.4475 -69.6548 -8.36259 -69.6695 -12.728 TIMING: 4291800 CPU: 13879.5, 0.00322899/step Wall: 13879.5, 0.00322899/step, 0.635215 hours remaining, 236.222656 MB of memory in use. ENERGY: 4291800 3899.8644 20580.8830 14529.3187 224.6234 -203136.3367 2678.1730 0.0000 0.0000 51948.7321 -109274.7420 298.5501 -161223.4741 -108915.4522 299.3402 114.5063 143.9046 760370.4250 -16.2435 -16.3619 PRESSURE: 4292000 -593.35 51.5883 127.932 51.5886 -259.066 -142.32 127.933 -142.32 -256.953 GPRESSURE: 4292000 -500.612 104.078 139.51 139.07 -361.866 -120.541 14.8493 -103.011 -155.438 PRESSAVG: 4292000 27.7492 -18.5532 5.14768 -18.5533 -23.4494 -24.9091 5.14768 -24.9093 2.12035 GPRESSAVG: 4292000 29.0375 -19.4499 4.16711 -16.3698 -24.512 -23.5562 4.58373 -22.4806 2.14779 TIMING: 4292000 CPU: 13880.2, 0.0032188/step Wall: 13880.2, 0.0032188/step, 0.633031 hours remaining, 236.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 4025.6361 20669.2099 14555.7412 265.3740 -203267.1544 2442.1721 0.0000 0.0000 51941.9997 -109367.0214 298.5114 -161309.0211 -109007.1975 299.9024 -369.7900 -339.3054 760786.3899 2.1401 2.2244 PRESSURE: 4292200 132.669 194.306 151.038 194.306 7.74455 -15.8035 151.039 -15.8043 303.882 GPRESSURE: 4292200 55.7091 45.9732 177.839 142.202 147.111 26.0868 77.9736 -89.5345 319.35 PRESSAVG: 4292200 -3.52966 -24.6581 20.5703 -24.6581 20.8994 -18.3731 20.5703 -18.3731 -39.95 GPRESSAVG: 4292200 -3.28867 -25.4039 19.9879 -26.8815 21.1322 -19.9135 20.7742 -20.4333 -39.6012 TIMING: 4292200 CPU: 13880.8, 0.00319855/step Wall: 13880.8, 0.00319855/step, 0.62887 hours remaining, 236.222656 MB of memory in use. ENERGY: 4292200 4029.5381 20372.0963 14452.7997 242.4544 -203283.1788 2595.7608 0.0000 0.0000 52216.4783 -109374.0510 300.0888 -161590.5293 -109018.7208 299.6327 148.0983 174.0565 760322.1862 -7.5268 -7.2525 LDB: ============= START OF LOAD BALANCING ============== 13893.2 LDB: ============== END OF LOAD BALANCING =============== 13893.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13893.2 LDB: ============= START OF LOAD BALANCING ============== 13893.6 LDB: Largest compute 7049 load 0.032788 is 16.8% of average load 0.195549 LDB: Average compute 0.004375 is 2.2% of average load 0.195549 LDB: TIME 13893.6 LOAD: AVG 0.195549 MAX 0.214726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.734 MB LDB: TIME 13893.6 LOAD: AVG 0.195549 MAX 0.214726 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.734 MB LDB: TIME 13893.6 LOAD: AVG 0.195549 MAX 0.214726 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.734 MB LDB: ============== END OF LOAD BALANCING =============== 13893.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13893.6 PRESSURE: 4292400 59.0089 -87.3306 -84.4555 -87.3297 -105.608 14.3829 -84.4556 14.3826 -146.81 GPRESSURE: 4292400 136.373 -30.4675 -19.0782 -67.6489 -117.112 -27.8066 16.8311 -42.075 -151.713 PRESSAVG: 4292400 48.9896 6.06253 -5.78314 6.06255 -41.2961 -11.2543 -5.78316 -11.2543 -3.36376 GPRESSAVG: 4292400 48.0894 7.03754 -4.79185 8.12396 -42.3761 -9.33009 -5.53452 -12.3748 -2.25191 TIMING: 4292400 CPU: 13881.5, 0.00328223/step Wall: 13881.5, 0.00328223/step, 0.64514 hours remaining, 235.003906 MB of memory in use. ENERGY: 4292400 4035.8454 20788.4332 14440.0295 243.8598 -203119.4566 2305.4818 0.0000 0.0000 52049.0676 -109256.7393 299.1267 -161305.8069 -108903.2263 300.7160 -64.4698 -44.1505 760985.4179 1.4432 1.1538 PRESSURE: 4292600 111.039 -126.394 -75.5128 -126.393 -52.9256 -140.4 -75.5134 -140.4 -17.1681 GPRESSURE: 4292600 136.422 -76.3971 -34.7601 -16.3099 18.3978 -208.501 -48.9857 -75.47 -29.6517 PRESSAVG: 4292600 41.4778 0.955398 -19.4286 0.955346 -66.453 -29.0758 -19.4286 -29.0757 21.2238 GPRESSAVG: 4292600 41.3916 0.591811 -18.6375 0.612058 -65.916 -30.0141 -18.5902 -25.3403 20.5276 TIMING: 4292600 CPU: 13882.1, 0.00318944/step Wall: 13882.1, 0.00318944/step, 0.626725 hours remaining, 235.003906 MB of memory in use. ENERGY: 4292600 4048.3163 20661.0115 14441.2517 259.5174 -203448.6555 2534.7201 0.0000 0.0000 52217.4998 -109286.3388 300.0947 -161503.8385 -108933.5511 299.9437 13.6484 41.7228 760136.9434 -1.2505 -1.3322 PRESSURE: 4292800 311.251 -74.0687 129.074 -74.0688 -58.0574 -193.066 129.074 -193.065 -103.235 GPRESSURE: 4292800 444.447 9.32328 160.685 -175.685 -70.2694 -118.074 207.7 -222.562 -109.723 PRESSAVG: 4292800 50.1876 -3.83853 26.1825 -3.83856 -52.0443 -30.1833 26.1824 -30.1833 10.1255 GPRESSAVG: 4292800 50.5228 -1.13474 23.703 -5.67269 -51.5874 -31.3521 26.082 -32.4108 9.57612 TIMING: 4292800 CPU: 13882.7, 0.00316508/step Wall: 13882.7, 0.00316508/step, 0.621762 hours remaining, 235.003906 MB of memory in use. ENERGY: 4292800 3944.6335 20576.0449 14429.2404 237.1748 -203291.6681 2372.3083 0.0000 0.0000 52080.2563 -109652.0098 299.3059 -161732.2661 -109287.8777 299.3386 49.9862 88.1515 760634.7454 2.7563 2.8372 PRESSURE: 4293000 -154.15 -107.6 -180.965 -107.599 244.461 131.886 -180.965 131.887 135.08 GPRESSURE: 4293000 -38.8345 -109.657 -273.394 -189.032 163.282 79.5593 -132.706 108.193 163.595 PRESSAVG: 4293000 32.5216 -61.9733 -3.42006 -61.9733 -63.9416 38.5311 -3.42003 38.531 -16.6666 GPRESSAVG: 4293000 32.1341 -65.182 -3.43167 -60.8033 -64.3544 39.5661 -3.53799 37.328 -16.21 TIMING: 4293000 CPU: 13883.4, 0.00318319/step Wall: 13883.4, 0.00318319/step, 0.625143 hours remaining, 235.003906 MB of memory in use. ENERGY: 4293000 3962.1031 20467.9373 14408.3727 246.1778 -203320.6610 2382.2255 0.0000 0.0000 52259.6738 -109594.1706 300.3371 -161853.8445 -109215.5853 299.3491 75.1301 96.0142 759838.4344 -16.0289 -16.1434 PRESSURE: 4293200 -26.5153 175.635 -208.746 175.635 -2.32652 -11.3801 -208.747 -11.3818 -111.489 GPRESSURE: 4293200 13.1893 48.0024 -249.112 65.3544 -0.884588 -39.2251 -236.997 89.9034 -81.486 PRESSAVG: 4293200 44.6442 13.3528 -26.0857 13.3528 -24.4744 -47.749 -26.0857 -47.7489 30.0252 GPRESSAVG: 4293200 44.3803 14.0416 -24.3318 13.0874 -23.9629 -49.4456 -26.1382 -45.8402 29.8917 TIMING: 4293200 CPU: 13884, 0.00316466/step Wall: 13884, 0.00316466/step, 0.621328 hours remaining, 235.003906 MB of memory in use. ENERGY: 4293200 3905.8721 20523.1329 14502.8520 264.8813 -203164.5739 2417.4257 0.0000 0.0000 52000.2145 -109550.1954 298.8459 -161550.4099 -109192.9153 299.2478 -46.7770 -23.0604 760963.4531 16.7317 16.7697 PRESSURE: 4293400 -85.2058 63.8107 136.019 63.8113 -369.836 -20.8799 136.02 -20.8788 -67.651 GPRESSURE: 4293400 -4.45701 139.867 170.048 87.3187 -356.326 -47.8176 57.3099 -62.3411 -60.2606 PRESSAVG: 4293400 7.3223 23.5539 -35.8191 23.554 -28.9093 -55.4148 -35.8192 -55.4149 4.06248 GPRESSAVG: 4293400 7.83947 25.3703 -35.7283 21.618 -28.9354 -55.0848 -36.3465 -54.972 3.63473 TIMING: 4293400 CPU: 13884.6, 0.00316926/step Wall: 13884.6, 0.00316926/step, 0.622055 hours remaining, 235.003906 MB of memory in use. ENERGY: 4293400 3933.9650 20487.4124 14448.7419 242.0132 -203267.4614 2500.8336 0.0000 0.0000 52043.9160 -109610.5792 299.0971 -161654.4952 -109240.1642 299.6233 -174.2310 -140.3478 760032.1749 -5.8415 -5.8204 PRESSURE: 4293600 -208.528 -67.281 -77.8281 -67.2814 -324.67 -249.97 -77.8286 -249.97 -349.903 GPRESSURE: 4293600 -203.275 -33.0708 -26.1163 -18.1238 -292.46 -204.506 -143.123 -199.1 -287.25 PRESSAVG: 4293600 77.2984 -12.9621 29.2729 -12.9621 -90.9406 -8.99488 29.273 -8.99482 13.3955 GPRESSAVG: 4293600 77.9445 -14.1837 31.1934 -10.7305 -92.1809 -7.59834 27.3062 -9.82121 14.4044 TIMING: 4293600 CPU: 13885.3, 0.00315637/step Wall: 13885.3, 0.00315637/step, 0.61935 hours remaining, 235.003906 MB of memory in use. ENERGY: 4293600 4012.4046 20633.0623 14454.0253 240.6831 -202934.4134 2054.8650 0.0000 0.0000 51943.6459 -109595.7273 298.5208 -161539.3732 -109242.2700 299.1954 -294.3668 -260.9950 760054.5702 -0.0822 0.0560 PRESSURE: 4293800 -481.807 50.851 53.9786 50.8518 351.781 177.306 53.9778 177.305 -139.431 GPRESSURE: 4293800 -343.176 50.9273 -7.20502 62.0362 303.966 188.49 -37.9376 100.814 -140.072 PRESSAVG: 4293800 35.6793 -21.77 -18.7149 -21.7701 -56.1115 -35.8532 -18.7149 -35.8532 13.2525 GPRESSAVG: 4293800 35.2093 -23.5631 -21.4139 -21.8279 -56.0356 -36.1034 -16.5217 -36.0416 13.0781 TIMING: 4293800 CPU: 13885.9, 0.0031783/step Wall: 13885.9, 0.0031783/step, 0.623476 hours remaining, 235.144531 MB of memory in use. ENERGY: 4293800 3947.8019 20402.2783 14414.9745 247.9140 -202734.8904 2388.7632 0.0000 0.0000 51698.2042 -109634.9544 297.1103 -161333.1585 -109266.5167 299.4710 -89.8187 -59.7607 760905.8707 -2.3932 -2.5827 PRESSURE: 4294000 -5.37048 14.9917 -160.811 14.9923 14.6334 -69.2447 -160.811 -69.2451 14.521 GPRESSURE: 4294000 76.1757 -104.238 -149.286 -18.7632 -26.2901 -157.702 -125.666 32.8606 79.5834 PRESSAVG: 4294000 81.8252 -10.3871 -38.4498 -10.3871 -54.5306 33.1485 -38.4499 33.1484 10.9144 GPRESSAVG: 4294000 84.1201 -9.48754 -37.8771 -9.2797 -56.4605 33.7389 -37.6107 32.1393 10.1605 TIMING: 4294000 CPU: 13886.5, 0.0032034/step Wall: 13886.5, 0.0032034/step, 0.628223 hours remaining, 235.144531 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: 4294000 4003.9632 20664.8141 14411.1660 274.4988 -203748.3555 2865.6204 0.0000 0.0000 51886.3377 -109641.9552 298.1915 -161528.2929 -109279.5347 299.0459 7.9280 43.1564 760014.2667 12.7363 12.6067 PRESSURE: 4294200 240.416 -45.0834 -71.5205 -45.0824 58.9694 -73.5345 -71.5212 -73.5342 183.636 GPRESSURE: 4294200 215.106 -33.821 9.4911 -83.0441 107.862 -39.2869 0.53034 -81.3894 240.383 PRESSAVG: 4294200 35.2565 -23.6398 34.0952 -23.6398 -12.5663 -22.3392 34.0952 -22.3392 -5.46692 GPRESSAVG: 4294200 33.2025 -23.2622 33.7608 -26.3858 -9.7617 -21.623 31.933 -22.9114 -6.66997 TIMING: 4294200 CPU: 13887.2, 0.00317117/step Wall: 13887.2, 0.00317117/step, 0.621725 hours remaining, 235.144531 MB of memory in use. ENERGY: 4294200 4010.2673 20594.0576 14458.2772 258.1658 -203710.7951 2806.1197 0.0000 0.0000 52154.9271 -109428.9803 299.7351 -161583.9075 -109075.7434 299.6985 161.0069 187.7839 761418.6265 5.7411 5.5903 PRESSURE: 4294400 52.274 -64.7277 67.0012 -64.7272 195.287 107.451 67.0014 107.45 -248.755 GPRESSURE: 4294400 106.271 -82.9176 11.6512 -84.7783 184.865 73.9984 -32.1532 158.034 -183.648 PRESSAVG: 4294400 30.0152 -46.473 43.5152 -46.4729 28.1642 -16.095 43.5152 -16.095 16.0551 GPRESSAVG: 4294400 29.1673 -48.0007 44.0162 -43.887 26.9971 -17.2253 45.2482 -14.8429 17.4364 TIMING: 4294400 CPU: 13887.8, 0.00316541/step Wall: 13887.8, 0.00316541/step, 0.620421 hours remaining, 235.144531 MB of memory in use. ENERGY: 4294400 4088.3896 20633.1952 14464.4623 269.3390 -203410.6568 2706.5143 0.0000 0.0000 52099.8227 -109148.9337 299.4184 -161248.7563 -108790.9645 300.4758 -0.3979 35.8292 760993.4881 24.7449 24.5336 PRESSURE: 4294600 -405.014 70.1338 17.0325 70.1342 -251.208 -28.7016 17.0331 -28.7027 -219.449 GPRESSURE: 4294600 -333.755 52.0454 -15.5444 34.3041 -201.118 34.083 6.83017 -190.639 -245.769 PRESSAVG: 4294600 11.7823 -35.2473 12.8763 -35.2473 -21.8562 -5.02087 12.8764 -5.02092 -12.7479 GPRESSAVG: 4294600 11.7624 -34.7625 11.8479 -34.9645 -20.8756 -4.89069 11.8084 -4.8853 -13.5782 TIMING: 4294600 CPU: 13888.4, 0.003173/step Wall: 13888.4, 0.003173/step, 0.621732 hours remaining, 235.144531 MB of memory in use. ENERGY: 4294600 4045.2519 20569.5737 14531.6873 268.7558 -203491.2676 2466.9906 0.0000 0.0000 52220.8496 -109388.1588 300.1139 -161609.0084 -109023.8206 300.2603 -291.8905 -260.2140 760485.1224 -7.6073 -7.5638 PRESSURE: 4294800 -18.2425 -30.2636 60.5686 -30.2635 -506.321 -96.3234 60.5682 -96.3225 -408.532 GPRESSURE: 4294800 -22.4655 31.3218 -31.9391 -227.294 -458.875 -50.3852 100.073 -86.5297 -372.019 PRESSAVG: 4294800 -26.3409 -0.62385 14.634 -0.62382 2.59452 -7.20117 14.634 -7.20115 -13.3152 GPRESSAVG: 4294800 -25.9977 0.564178 15.7021 -1.93159 0.965354 -7.27971 16.0079 -8.14276 -11.9512 TIMING: 4294800 CPU: 13889.1, 0.0032216/step Wall: 13889.1, 0.0032216/step, 0.631076 hours remaining, 235.144531 MB of memory in use. ENERGY: 4294800 4039.0057 20508.7738 14436.9605 230.4639 -203192.1096 2433.2829 0.0000 0.0000 52210.1720 -109333.4508 300.0526 -161543.6228 -108968.0562 300.2088 -311.0318 -284.4532 760767.3359 -12.3539 -12.3278 PRESSURE: 4295000 53.5649 36.207 -13.5979 36.2069 -63.897 132.77 -13.5982 132.77 -339.122 GPRESSURE: 4295000 88.7474 -44.3913 -88.9115 57.8091 -45.4134 110.328 24.1458 1.71176 -307.918 PRESSAVG: 4295000 63.2108 -3.90935 -22.0878 -3.90934 -59.6233 -19.4062 -22.0879 -19.4061 -32.7101 GPRESSAVG: 4295000 64.0847 -3.15699 -23.9865 -4.96237 -59.6845 -20.6633 -21.2698 -19.8617 -33.5305 TIMING: 4295000 CPU: 13889.7, 0.00324044/step Wall: 13889.7, 0.00324044/step, 0.634587 hours remaining, 235.144531 MB of memory in use. ENERGY: 4295000 4050.5522 20640.6878 14459.6876 248.8477 -203047.5059 2257.5368 0.0000 0.0000 51900.6457 -109489.5481 298.2737 -161390.1938 -109125.0785 300.2071 -116.4848 -88.1945 760519.8695 -9.7075 -9.7101 PRESSURE: 4295200 -138.1 -285.266 32.7959 -285.265 -246.303 107.973 32.7959 107.972 105.14 GPRESSURE: 4295200 -88.9001 -92.8286 6.93503 -233.634 -202.598 81.932 28.7783 123.817 123.858 PRESSAVG: 4295200 38.6173 15.3333 -2.6653 15.3333 -18.3606 63.2935 -2.66532 63.2935 31.4739 GPRESSAVG: 4295200 37.7678 13.9983 -1.89098 18.6636 -17.5573 64.1137 -5.08075 61.6386 31.6477 TIMING: 4295200 CPU: 13890.4, 0.00320683/step Wall: 13890.4, 0.00320683/step, 0.627825 hours remaining, 235.144531 MB of memory in use. ENERGY: 4295200 4053.1573 20436.4588 14470.9951 254.4225 -203088.0390 2265.9932 0.0000 0.0000 52194.6888 -109412.3233 299.9636 -161607.0121 -109048.7027 299.5232 -93.0876 -55.8801 761385.9364 17.2435 17.2861 PRESSURE: 4295400 116.347 93.8564 -58.829 93.8559 -179.58 222.461 -58.8289 222.461 63.8424 GPRESSURE: 4295400 133.859 103.61 -96.4545 -88.4358 -119.189 236.52 36.0212 176.327 67.1286 PRESSAVG: 4295400 72.7231 -29.8688 -25.4216 -29.8688 -42.798 49.0679 -25.4216 49.0679 21.9867 GPRESSAVG: 4295400 72.9317 -30.8831 -25.7439 -31.078 -42.8903 49.3461 -23.4366 51.2113 22.1146 TIMING: 4295400 CPU: 13891, 0.0031994/step Wall: 13891, 0.0031994/step, 0.626194 hours remaining, 235.144531 MB of memory in use. ENERGY: 4295400 4036.0931 20634.6871 14377.5652 246.7008 -203404.6285 2361.9905 0.0000 0.0000 52263.3818 -109484.2100 300.3584 -161747.5918 -109126.3257 299.8439 0.2030 27.2661 758964.0399 17.3039 17.3854 PRESSURE: 4295600 -212.969 127.301 -5.7002 127.302 163.984 220.869 -5.70018 220.868 260.594 GPRESSURE: 4295600 -94.9738 151.699 -62.2244 78.4327 120.447 85.1188 -133.469 251.679 277.965 PRESSAVG: 4295600 1.36103 -22.5504 41.248 -22.5504 -10.562 15.4948 41.248 15.4947 31.7613 GPRESSAVG: 4295600 1.82804 -21.7132 40.7847 -23.9499 -10.5495 14.9681 41.6785 16.1257 31.1452 TIMING: 4295600 CPU: 13891.7, 0.00321309/step Wall: 13891.7, 0.00321309/step, 0.628696 hours remaining, 235.144531 MB of memory in use. ENERGY: 4295600 4053.7853 20571.8416 14402.0797 247.7193 -203322.5145 2407.4950 0.0000 0.0000 52061.1558 -109578.4379 299.1962 -161639.5937 -109228.7042 299.3121 70.5365 101.1461 760177.4676 7.5201 7.4746 PRESSURE: 4295800 61.6249 -108.297 138.14 -108.296 59.5339 23.0731 138.14 23.0745 -165.906 GPRESSURE: 4295800 30.0765 15.2228 132.395 39.3251 109.788 -48.6705 163.193 125.769 -122.628 PRESSAVG: 4295800 42.2279 41.6849 -5.30503 41.6849 -35.1382 23.3638 -5.30504 23.3638 -20.118 GPRESSAVG: 4295800 41.1315 40.943 -3.07982 44.4244 -35.1919 24.2406 -5.12468 23.5 -19.4567 TIMING: 4295800 CPU: 13892.3, 0.00324447/step Wall: 13892.3, 0.00324447/step, 0.634655 hours remaining, 235.144531 MB of memory in use. ENERGY: 4295800 3982.0029 20722.8212 14334.8882 246.9756 -203662.9543 2533.2328 0.0000 0.0000 52257.3207 -109585.7128 300.3235 -161843.0335 -109227.7520 299.7172 -14.9157 5.7455 761646.7189 -4.3427 -4.5057 PRESSURE: 4296000 -413.359 -3.44401 20.6305 -3.44393 -491.087 32.6432 20.6312 32.6434 -278.482 GPRESSURE: 4296000 -385.162 123.754 -42.7073 47.6171 -505.936 -33.6167 2.92049 -25.3392 -198.052 PRESSAVG: 4296000 82.6238 41.7281 39.6167 41.7281 -43.3081 50.0683 39.6167 50.0683 -9.47484 GPRESSAVG: 4296000 82.9045 42.8835 38.896 40.9318 -44.0495 47.6975 39.3189 51.2198 -9.42679 TIMING: 4296000 CPU: 13892.9, 0.0032139/step Wall: 13892.9, 0.0032139/step, 0.628497 hours remaining, 235.144531 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: 4296000 4004.1884 20428.9255 14442.4240 254.6859 -203168.6835 2002.7488 0.0000 0.0000 52219.2160 -109816.4950 300.1046 -162035.7110 -109456.7296 299.6564 -394.3094 -363.0501 759560.9905 9.9469 9.8094 PRESSURE: 4296200 -310.566 -10.7155 40.3476 -10.7148 -76.6734 63.8898 40.3474 63.8902 402.638 GPRESSURE: 4296200 -342.2 -7.45433 55.429 -182.796 64.3616 101.84 75.6111 22.7295 365.109 PRESSAVG: 4296200 13.3633 8.70826 -37.7053 8.70829 26.6051 -18.1072 -37.7053 -18.1073 0.80926 GPRESSAVG: 4296200 12.3737 9.14045 -37.5718 6.08011 27.7604 -14.5342 -36.9905 -19.7914 0.498998 TIMING: 4296200 CPU: 13893.6, 0.00325021/step Wall: 13893.6, 0.00325021/step, 0.635416 hours remaining, 235.144531 MB of memory in use. ENERGY: 4296200 4058.1051 20507.8802 14530.3130 253.9640 -203523.2347 2393.9840 0.0000 0.0000 52018.6424 -109760.3459 298.9519 -161778.9883 -109398.1335 299.0593 5.1330 29.0902 758245.4445 13.5925 13.5444 LDB: ============= START OF LOAD BALANCING ============== 13906 LDB: ============== END OF LOAD BALANCING =============== 13906 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906 LDB: ============= START OF LOAD BALANCING ============== 13906.3 LDB: Largest compute 7033 load 0.031141 is 15.9% of average load 0.195530 LDB: Average compute 0.004392 is 2.2% of average load 0.195530 LDB: TIME 13906.4 LOAD: AVG 0.19553 MAX 0.217045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.875 MB LDB: TIME 13906.4 LOAD: AVG 0.19553 MAX 0.217045 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: TIME 13906.4 LOAD: AVG 0.19553 MAX 0.217045 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: ============== END OF LOAD BALANCING =============== 13906.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906.4 PRESSURE: 4296400 -316.867 -96.4238 -30.3221 -96.4232 -320.288 -130.388 -30.3226 -130.388 -320.941 GPRESSURE: 4296400 -251.055 -30.4242 -46.0773 -124.667 -324.039 -190.61 65.5811 23.9864 -305.848 PRESSAVG: 4296400 51.282 -4.40757 6.94699 -4.40756 -42.2287 6.83148 6.94701 6.8315 -4.26717 GPRESSAVG: 4296400 52.0984 -6.41707 4.86803 -1.85054 -44.4838 4.93125 7.56554 8.16064 -2.69845 TIMING: 4296400 CPU: 13894.3, 0.003277/step Wall: 13894.3, 0.003277/step, 0.640471 hours remaining, 237.191406 MB of memory in use. ENERGY: 4296400 4074.0407 20690.1960 14441.9266 243.3883 -203316.6937 2305.5328 0.0000 0.0000 51830.0910 -109731.5183 297.8682 -161561.6093 -109380.6000 299.0525 -319.3651 -293.6472 760688.8017 1.5954 1.6387 PRESSURE: 4296600 399.544 -36.7357 54.4708 -36.7359 281.793 99.206 54.4717 99.2054 79.8019 GPRESSURE: 4296600 344.568 -52.8616 100.624 -107.228 331.539 95.6504 108.157 234.263 170.208 PRESSAVG: 4296600 46.9332 0.412284 -0.724596 0.41228 -32.9675 13.2345 -0.724553 13.2345 -19.0532 GPRESSAVG: 4296600 47.4721 1.20674 2.01899 0.764408 -30.6905 14.4145 -1.20266 13.0036 -21.2949 TIMING: 4296600 CPU: 13894.9, 0.00316166/step Wall: 13894.9, 0.00316166/step, 0.617753 hours remaining, 237.503906 MB of memory in use. ENERGY: 4296600 4008.0131 20406.7736 14459.4802 238.9340 -203847.8425 2759.7926 0.0000 0.0000 52193.4446 -109781.4043 299.9564 -161974.8489 -109411.4564 299.4308 253.7130 282.1050 758548.6735 -1.6958 -1.5044 PRESSURE: 4296800 -240.44 49.7086 35.9423 49.7078 -245.826 -69.9724 35.9411 -69.9724 46.333 GPRESSURE: 4296800 -176.435 37.9744 19.8977 -19.1549 -219.647 -86.497 -16.023 -57.3702 32.4405 PRESSAVG: 4296800 6.49515 6.39988 -40.1247 6.39984 2.16483 23.5851 -40.1248 23.585 9.18133 GPRESSAVG: 4296800 5.806 5.64436 -41.0807 5.56726 1.84701 23.3327 -41.2676 24.8724 10.3339 TIMING: 4296800 CPU: 13895.5, 0.00320064/step Wall: 13895.5, 0.00320064/step, 0.625191 hours remaining, 237.503906 MB of memory in use. ENERGY: 4296800 3950.9624 20577.0263 14453.3385 240.9859 -203701.0379 2439.8558 0.0000 0.0000 52207.1660 -109831.7030 300.0353 -162038.8690 -109460.3200 299.4772 -146.6442 -121.2138 759382.7840 5.9471 5.9956 PRESSURE: 4297000 -257.89 58.839 -71.0685 58.8389 -67.6971 -31.6504 -71.0699 -31.6496 -62.1327 GPRESSURE: 4297000 -129.967 -60.4718 -65.3213 124.054 -122.275 -37.8657 -13.9019 -49.5541 -45.7227 PRESSAVG: 4297000 16.5686 10.0493 -55.0229 10.0493 -58.1495 -67.1491 -55.0229 -67.1491 3.93012 GPRESSAVG: 4297000 17.6532 11.7137 -53.938 9.33708 -58.4545 -67.5752 -53.9356 -67.5151 3.15888 TIMING: 4297000 CPU: 13896.2, 0.00321641/step Wall: 13896.2, 0.00321641/step, 0.628093 hours remaining, 237.503906 MB of memory in use. ENERGY: 4297000 3969.7498 20613.2178 14411.6430 240.5299 -203691.8088 2641.8696 0.0000 0.0000 51895.4818 -109919.3168 298.2440 -161814.7986 -109564.2184 299.2071 -129.2401 -99.3217 760566.6306 -12.5503 -12.5475 PRESSURE: 4297200 -88.373 -163.291 41.2918 -163.29 -326.432 -19.221 41.2917 -19.2222 122.428 GPRESSURE: 4297200 -9.55873 -123.41 59.8992 -127.718 -307.865 30.6497 40.4301 -2.76126 117.532 PRESSAVG: 4297200 28.9898 -12.872 -10.5764 -12.872 -91.0932 -12.0551 -10.5764 -12.0551 -22.0029 GPRESSAVG: 4297200 27.2737 -12.2665 -10.2197 -14.1003 -90.7257 -11.8677 -12.3344 -12.4162 -20.4682 TIMING: 4297200 CPU: 13896.8, 0.00319193/step Wall: 13896.8, 0.00319193/step, 0.623135 hours remaining, 237.503906 MB of memory in use. ENERGY: 4297200 4031.2694 20602.3438 14459.3480 253.0569 -203797.2586 2623.9562 0.0000 0.0000 52079.3104 -109747.9739 299.3005 -161827.2843 -109388.1367 298.8165 -97.4590 -66.6306 759976.4624 -28.0354 -27.9734 PRESSURE: 4297400 -130.455 4.10071 -45.1911 4.10109 -137.497 -77.1385 -45.1908 -77.1379 -109.599 GPRESSURE: 4297400 -110.348 34.6769 -19.5182 -106.735 -38.5426 -52.4923 -61.9527 -38.7478 -127.26 PRESSAVG: 4297400 61.2794 -31.227 -21.8769 -31.2269 4.65276 -27.1602 -21.8769 -27.1602 1.56431 GPRESSAVG: 4297400 61.813 -32.9106 -22.0518 -29.8327 5.3272 -24.8454 -22.4272 -28.322 0.771501 TIMING: 4297400 CPU: 13897.5, 0.00322364/step Wall: 13897.5, 0.00322364/step, 0.629147 hours remaining, 237.515625 MB of memory in use. ENERGY: 4297400 4033.9835 20595.8939 14472.3167 227.9869 -203727.3034 2588.1814 0.0000 0.0000 52063.1383 -109745.8027 299.2076 -161808.9410 -109385.2537 299.2871 -125.8506 -92.0501 759522.4232 22.4988 22.6372 PRESSURE: 4297600 -67.9723 -142.584 112.896 -142.584 -54.0566 -3.84603 112.896 -3.84591 114.161 GPRESSURE: 4297600 -45.1638 -191.21 114.664 -172.826 34.3492 112.823 33.8557 -56.0061 99.7447 PRESSAVG: 4297600 18.6471 -9.11565 -33.7646 -9.11566 -45.0501 -63.1516 -33.7646 -63.1517 6.7254 GPRESSAVG: 4297600 19.7407 -8.64677 -35.0646 -8.54798 -45.941 -66.0471 -34.1188 -62.4417 6.62846 TIMING: 4297600 CPU: 13898.1, 0.00318737/step Wall: 13898.1, 0.00318737/step, 0.621892 hours remaining, 237.515625 MB of memory in use. ENERGY: 4297600 3985.2385 20410.4354 14491.5175 259.3656 -203506.5038 2508.1821 0.0000 0.0000 51827.6935 -110024.0712 297.8545 -161851.7647 -109658.7888 298.8371 -2.6226 29.6434 760197.0536 -6.5592 -6.5239 PRESSURE: 4297800 -364.882 -87.515 227.792 -87.5155 -262.538 -107.184 227.792 -107.184 -44.9664 GPRESSURE: 4297800 -346.186 -152.896 134.064 -27.763 -226.842 -101.175 319.136 -173.211 9.67246 PRESSAVG: 4297800 13.6258 -30.3029 -18.4905 -30.3029 -34.5152 -27.2239 -18.4905 -27.2239 -28.1008 GPRESSAVG: 4297800 12.1048 -31.5505 -16.627 -29.3527 -33.0647 -26.8332 -17.2463 -28.6871 -27.7381 TIMING: 4297800 CPU: 13898.7, 0.00317585/step Wall: 13898.7, 0.00317585/step, 0.619468 hours remaining, 237.515625 MB of memory in use. ENERGY: 4297800 4022.9304 20507.1168 14482.4634 229.4305 -203255.9625 1978.6730 0.0000 0.0000 52016.8502 -110018.4981 298.9416 -162035.3483 -109655.6815 298.4723 -224.1285 -187.7853 760189.1255 -16.3301 -16.2327 PRESSURE: 4298000 375.164 49.0087 -243.008 49.0087 126.089 -102.373 -243.008 -102.373 16.3971 GPRESSURE: 4298000 331.908 -175.426 -308.847 20.1955 191.829 -161.56 -213.507 -110.245 67.3741 PRESSAVG: 4298000 15.3574 31.013 5.2114 31.013 -45.5276 -41.9142 5.21147 -41.9142 10.982 GPRESSAVG: 4298000 17.3392 30.8964 4.25009 29.8247 -46.9336 -39.7478 4.48007 -41.3919 10.7687 TIMING: 4298000 CPU: 13899.4, 0.00316695/step Wall: 13899.4, 0.00316695/step, 0.617554 hours remaining, 237.582031 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: 4298000 3974.5113 20725.4048 14496.2023 234.3103 -204185.7695 2635.9685 0.0000 0.0000 51910.7514 -110208.6209 298.3318 -162119.3723 -109847.2338 298.7762 172.5501 197.0370 757296.7670 -6.3961 -6.2752 PRESSURE: 4298200 -166.445 -16.5125 65.3603 -16.5119 13.7351 85.9378 65.3589 85.9385 -224.829 GPRESSURE: 4298200 -243.101 -11.2842 53.8716 24.0841 160.351 87.4361 57.8415 252.229 -222.285 PRESSAVG: 4298200 -3.25452 -59.5773 -52.2343 -59.5773 7.12779 -29.4944 -52.2343 -29.4945 1.35607 GPRESSAVG: 4298200 -4.48562 -57.9256 -53.1562 -60.9474 7.843 -32.9103 -51.447 -27.4521 1.74696 TIMING: 4298200 CPU: 13900, 0.00316615/step Wall: 13900, 0.00316615/step, 0.617223 hours remaining, 237.582031 MB of memory in use. ENERGY: 4298200 3957.1816 20677.4205 14474.7381 248.0760 -203899.0004 2379.7938 0.0000 0.0000 51962.7714 -110199.0189 298.6308 -162161.7903 -109837.8310 298.1032 -125.8461 -101.6785 759717.4554 1.7431 1.7014 PRESSURE: 4298400 -244.07 -161.098 249.417 -161.098 95.185 -49.7585 249.417 -49.7583 -157.473 GPRESSURE: 4298400 -133.281 38.8543 250.03 -91.1794 59.221 -58.1019 154.751 -12.4352 -166.032 PRESSAVG: 4298400 -9.78894 15.233 -9.85679 15.2329 -20.2195 -18.4405 -9.85685 -18.4406 8.55483 GPRESSAVG: 4298400 -9.19019 15.3172 -9.94083 15.7101 -20.678 -17.6919 -9.64403 -17.5479 7.79888 TIMING: 4298400 CPU: 13900.6, 0.00316145/step Wall: 13900.6, 0.00316145/step, 0.616131 hours remaining, 237.582031 MB of memory in use. ENERGY: 4298400 3996.3510 20656.9673 14466.7870 255.6712 -203890.3667 2465.8902 0.0000 0.0000 51972.4083 -110076.2918 298.6861 -162048.7001 -109715.6955 298.7456 -102.1194 -80.0307 758146.2435 -7.1512 -7.3564 PRESSURE: 4298600 33.2059 -53.7137 251.312 -53.7131 -174.112 103.094 251.312 103.094 -2.96892 GPRESSURE: 4298600 53.6715 40.8627 199.687 112.237 -105.574 66.0086 252.645 163.191 -15.4296 PRESSAVG: 4298600 10.4712 72.8053 15.2373 72.8054 -30.0454 -28.9481 15.2373 -28.9481 8.64187 GPRESSAVG: 4298600 10.802 72.1215 16.6806 73.7791 -29.9076 -28.9822 16.7796 -31.0417 7.93486 TIMING: 4298600 CPU: 13901.3, 0.0031841/step Wall: 13901.3, 0.0031841/step, 0.620369 hours remaining, 237.582031 MB of memory in use. ENERGY: 4298600 4007.3409 20578.0265 14388.0465 245.7784 -203421.0991 2260.3955 0.0000 0.0000 51938.8610 -110002.6502 298.4933 -161941.5112 -109628.7933 298.7258 -47.9582 -22.4439 759615.1458 -3.6441 -3.7236 PRESSURE: 4298800 164.058 -200.567 -250.189 -200.567 -260.864 -114.797 -250.188 -114.797 -377.059 GPRESSURE: 4298800 134.865 -84.0293 -235.113 -254.852 -180.932 -99.9862 -385.814 -129.961 -356.416 PRESSAVG: 4298800 -7.0374 4.02599 -63.1257 4.026 6.5774 -30.7403 -63.1257 -30.7403 -3.99908 GPRESSAVG: 4298800 -6.20111 5.50573 -64.2231 2.01083 4.88997 -30.4294 -65.8973 -31.9247 -3.67669 TIMING: 4298800 CPU: 13901.9, 0.00315036/step Wall: 13901.9, 0.00315036/step, 0.613621 hours remaining, 237.582031 MB of memory in use. ENERGY: 4298800 3999.1825 20683.0591 14488.9436 233.4452 -203114.7315 2172.5317 0.0000 0.0000 51672.3459 -109865.2236 296.9617 -161537.5695 -109494.9796 298.4185 -157.9550 -134.1609 759481.6200 -1.4864 -1.6626 PRESSURE: 4299000 5.35952 -28.732 -176.75 -28.7315 99.7439 155.163 -176.749 155.162 276.956 GPRESSURE: 4299000 138.989 121.607 -96.4835 9.27084 90.0675 76.4357 -274.744 138.186 247.808 PRESSAVG: 4299000 -3.76087 -57.8153 -58.9606 -57.8153 5.41781 -51.5699 -58.9606 -51.5699 -10.1106 GPRESSAVG: 4299000 -5.03963 -56.2543 -57.9297 -57.9617 6.33014 -50.4016 -59.261 -50.8022 -9.93405 TIMING: 4299000 CPU: 13902.5, 0.00315656/step Wall: 13902.5, 0.00315656/step, 0.614652 hours remaining, 237.582031 MB of memory in use. ENERGY: 4299000 3907.5386 20559.2581 14475.5130 250.2160 -203302.2939 2391.8252 0.0000 0.0000 52028.3127 -109689.6304 299.0074 -161717.9430 -109317.6598 298.8045 127.3530 158.9547 760638.1628 -2.8179 -2.8812 PRESSURE: 4299200 142.462 103.192 -162.786 103.192 -137.342 -24.7699 -162.786 -24.7708 16.6162 GPRESSURE: 4299200 222.754 205.886 -258.899 82.5681 -193.143 -96.5231 -139.162 58.0924 96.4791 PRESSAVG: 4299200 22.8408 -12.1572 -9.59787 -12.1571 -15.0661 -52.1567 -9.59792 -52.1568 35.1406 GPRESSAVG: 4299200 22.8309 -13.2139 -10.5192 -8.65027 -15.1522 -54.0377 -7.29062 -51.5961 35.24 TIMING: 4299200 CPU: 13903.2, 0.00317616/step Wall: 13903.2, 0.00317616/step, 0.618292 hours remaining, 237.582031 MB of memory in use. ENERGY: 4299200 4012.0217 20451.1698 14420.9718 246.6573 -203294.1289 2315.3429 0.0000 0.0000 52133.0854 -109714.8801 299.6096 -161847.9655 -109333.3192 299.2862 7.2455 42.0302 758774.9177 14.3051 14.3062 PRESSURE: 4299400 -13.7223 162.032 33.9262 162.032 165.488 38.5755 33.9259 38.5763 -21.1066 GPRESSURE: 4299400 40.7462 99.2988 16.7293 174.724 188.064 27.7702 -22.501 66.5872 5.28429 PRESSAVG: 4299400 -5.92822 29.3204 69.7294 29.3204 -20.107 -78.4222 69.7294 -78.4222 20.0806 GPRESSAVG: 4299400 -5.08295 28.5429 69.4951 26.007 -21.0828 -76.8993 67.4086 -79.7641 20.6151 TIMING: 4299400 CPU: 13903.8, 0.00319035/step Wall: 13903.8, 0.00319035/step, 0.620878 hours remaining, 237.597656 MB of memory in use. ENERGY: 4299400 3949.8212 20687.3683 14527.4831 245.8211 -203179.8950 2191.0244 0.0000 0.0000 52114.6264 -109463.7506 299.5035 -161578.3770 -109100.7873 299.7647 43.5532 78.0314 758695.3352 -1.9849 -1.8502 PRESSURE: 4299600 213.929 92.7327 -38.5046 92.7328 -291.06 121.135 -38.5052 121.134 130.841 GPRESSURE: 4299600 139.83 -49.442 -70.211 42.7037 -135.747 163.045 5.60067 82.1886 171.442 PRESSAVG: 4299600 -20.2962 17.0186 22.2828 17.0186 -0.193306 32.9574 22.2828 32.9574 9.99855 GPRESSAVG: 4299600 -20.4384 16.1682 21.9308 18.7423 -0.0272604 32.8546 22.567 33.4499 9.95248 TIMING: 4299600 CPU: 13904.4, 0.00317365/step Wall: 13904.4, 0.00317365/step, 0.617451 hours remaining, 237.597656 MB of memory in use. ENERGY: 4299600 4027.6954 20704.0804 14481.5305 243.5667 -203602.9730 2573.4893 0.0000 0.0000 52162.9279 -109409.6827 299.7811 -161572.6106 -109045.6615 299.6218 17.9029 58.5087 759457.1898 -3.4970 -3.5044 PRESSURE: 4299800 112.707 158.016 98.5265 158.016 -16.352 -3.46932 98.5259 -3.46911 -306.709 GPRESSURE: 4299800 117.966 225.383 134.566 174.463 -46.3381 -39.2176 139.465 8.82122 -229.121 PRESSAVG: 4299800 30.5111 33.672 -26.0794 33.6721 23.7309 -23.9006 -26.0794 -23.9007 -0.725507 GPRESSAVG: 4299800 29.4729 33.4093 -24.8969 33.6829 25.7342 -24.5996 -23.4648 -22.568 -1.89337 TIMING: 4299800 CPU: 13905.1, 0.00315955/step Wall: 13905.1, 0.00315955/step, 0.614532 hours remaining, 237.597656 MB of memory in use. ENERGY: 4299800 4008.5146 20695.5121 14531.1170 253.7932 -203493.6972 2363.4840 0.0000 0.0000 52104.5096 -109536.7666 299.4453 -161641.2762 -109164.7519 299.5914 -70.1178 -52.4979 760966.2891 17.8388 17.7712 PRESSURE: 4300000 -112.2 -110.321 -143.259 -110.322 -238.69 -139.682 -143.259 -139.682 -3.65802 GPRESSURE: 4300000 -8.83394 -184.216 -135.813 -97.5603 -223.406 -118.844 -161.784 -15.786 -51.8715 PRESSAVG: 4300000 -37.0664 -27.4994 17.6194 -27.4993 -43.2795 -40.2207 17.6194 -40.2208 1.27384 GPRESSAVG: 4300000 -35.9276 -28.6984 17.1822 -29.0071 -44.626 -40.6049 16.5309 -38.8693 1.28667 TIMING: 4300000 CPU: 13905.7, 0.00317147/step Wall: 13905.7, 0.00317147/step, 0.616676 hours remaining, 237.597656 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: 4300000 4074.8264 20613.9518 14488.2823 257.6363 -203340.5603 2320.7059 0.0000 0.0000 51911.7587 -109673.3988 298.3376 -161585.1575 -109306.6600 299.0558 -118.1826 -94.7038 761094.7080 -26.3573 -26.4223 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.4.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 -174.162 -281.053 96.1813 -281.052 -394.763 -190.435 96.1822 -190.435 104.689 GPRESSURE: 4300200 -105.409 -317.752 36.2035 -157.796 -272.871 -162.088 213.99 -45.0659 16.2225 PRESSAVG: 4300200 -26.8665 -57.6708 -0.165655 -57.6707 -34.6899 -85.7864 -0.165642 -85.7863 10.1407 GPRESSAVG: 4300200 -26.7291 -56.9798 -1.11865 -57.6681 -34.4651 -83.3189 1.35731 -87.5325 10.1645 TIMING: 4300200 CPU: 13906.5, 0.00399885/step Wall: 13906.5, 0.00399885/step, 0.777332 hours remaining, 237.597656 MB of memory in use. ENERGY: 4300200 3991.1155 20553.5168 14470.2711 264.9714 -203309.1736 2411.6532 0.0000 0.0000 51987.8410 -109629.8046 298.7748 -161617.6456 -109266.4136 299.1268 -154.7453 -120.6859 761942.4065 -17.1386 -17.0099 LDB: ============= START OF LOAD BALANCING ============== 13918.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13918.9 LDB: =============== DONE WITH MIGRATION ================ 13918.9 LDB: ============= START OF LOAD BALANCING ============== 13919.2 LDB: Largest compute 7066 load 0.031123 is 15.9% of average load 0.195506 LDB: Average compute 0.004387 is 2.2% of average load 0.195506 LDB: TIME 13919.2 LOAD: AVG 0.195506 MAX 0.213605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.719 MB LDB: TIME 13919.2 LOAD: AVG 0.195506 MAX 0.213605 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: TIME 13919.2 LOAD: AVG 0.195506 MAX 0.213605 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: ============== END OF LOAD BALANCING =============== 13919.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13919.3 PRESSURE: 4300400 20.3535 128.931 -270.25 128.932 -272.792 -85.6747 -270.25 -85.6757 143.943 GPRESSURE: 4300400 79.7476 83.3812 -248.006 126.041 -174.841 -114.353 -276.724 -37.2514 83.9117 PRESSAVG: 4300400 -19.082 -66.2172 -16.1221 -66.2172 14.7634 -69.4253 -16.1221 -69.4254 10.3767 GPRESSAVG: 4300400 -21.1006 -66.0823 -14.4985 -63.6949 15.2221 -72.8386 -18.1831 -69.8184 11.5641 TIMING: 4300400 CPU: 13907.1, 0.00325502/step Wall: 13907.1, 0.00325502/step, 0.632558 hours remaining, 235.656250 MB of memory in use. ENERGY: 4300400 3981.4705 20513.9928 14455.9794 234.0314 -203340.0622 2417.9814 0.0000 0.0000 51989.9157 -109746.6910 298.7868 -161736.6067 -109378.3504 298.5822 -36.1652 -3.7273 758898.8002 2.0194 1.8952 PRESSURE: 4300600 36.6859 87.9031 14.1853 87.9019 47.2139 30.4367 14.1847 30.4367 -49.1187 GPRESSURE: 4300600 63.4835 102.87 28.2603 98.9445 76.3719 -28.3304 50.9319 14.7541 -15.7404 PRESSAVG: 4300600 8.49744 -37.6344 11.362 -37.6344 -11.4536 25.052 11.362 25.0521 6.75277 GPRESSAVG: 4300600 10.3017 -37.0821 9.28687 -40.2574 -13.645 25.8424 13.8282 23.4411 7.05308 TIMING: 4300600 CPU: 13907.8, 0.00315368/step Wall: 13907.8, 0.00315368/step, 0.61269 hours remaining, 235.726562 MB of memory in use. ENERGY: 4300600 3986.8644 20593.8964 14502.8578 225.2191 -203446.4777 2505.6299 0.0000 0.0000 51992.8161 -109639.1940 298.8034 -161632.0101 -109272.0127 299.1833 11.5937 41.3717 759905.6892 1.2655 1.2366 PRESSURE: 4300800 90.5994 0.169917 167.153 0.169895 -244.474 -14.9248 167.153 -14.9239 -148.165 GPRESSURE: 4300800 130.787 -12.72 84.2148 -4.47316 -218.728 24.7709 67.6453 -77.4664 -131.25 PRESSAVG: 4300800 -17.0737 -2.01334 0.692632 -2.01336 6.78477 -7.74629 0.692675 -7.74629 6.71391 GPRESSAVG: 4300800 -17.3445 -3.52561 1.81901 0.716092 9.46455 -7.18734 -0.758359 -7.38293 4.90696 TIMING: 4300800 CPU: 13908.4, 0.00318231/step Wall: 13908.4, 0.00318231/step, 0.618075 hours remaining, 235.726562 MB of memory in use. ENERGY: 4300800 4006.2718 20565.2239 14419.6514 227.2571 -203539.7778 2594.0510 0.0000 0.0000 52113.4132 -109613.9095 299.4965 -161727.3226 -109247.1166 299.3544 -100.6799 -73.0634 760955.4376 -1.1917 -0.9910 PRESSURE: 4301000 20.826 -186.528 -166.332 -186.527 -14.2434 -269.002 -166.332 -269.002 533.265 GPRESSURE: 4301000 73.6842 -283.696 -213.492 -78.8923 69.809 -221.479 -145.907 -198.799 478.341 PRESSAVG: 4301000 -13.5452 -68.7451 20.9229 -68.7451 10.9069 -4.09612 20.9229 -4.09617 10.7947 GPRESSAVG: 4301000 -13.5265 -67.0641 19.8777 -70.1848 10.5932 -3.43011 19.3175 -2.94817 11.2912 TIMING: 4301000 CPU: 13909, 0.00316863/step Wall: 13909, 0.00316863/step, 0.615243 hours remaining, 235.726562 MB of memory in use. ENERGY: 4301000 4028.7582 20602.9979 14441.8611 237.1847 -203664.9966 2666.8704 0.0000 0.0000 51946.1372 -109741.1871 298.5352 -161687.3243 -109379.0392 299.1974 179.9492 207.2780 759954.7500 2.7188 2.7860 PRESSURE: 4301200 7.3608 -72.3185 32.262 -72.3186 439.091 -232.969 32.2618 -232.97 358.495 GPRESSURE: 4301200 -50.0174 -180.014 27.2603 -5.06573 518.609 -156.016 -115.021 -346.975 418.897 PRESSAVG: 4301200 -21.5158 -48.4108 2.49837 -48.4108 25.1066 39.9792 2.49834 39.9792 13.512 GPRESSAVG: 4301200 -22.6667 -47.1148 4.77213 -49.8876 25.6796 39.6895 1.9161 40.5221 14.1667 TIMING: 4301200 CPU: 13909.7, 0.00315107/step Wall: 13909.7, 0.00315107/step, 0.611657 hours remaining, 235.726562 MB of memory in use. ENERGY: 4301200 4057.4224 20557.4292 14442.2657 246.3070 -204141.0094 2928.7666 0.0000 0.0000 52187.5854 -109721.2331 299.9228 -161908.8185 -109352.3093 299.4685 268.3155 295.8296 758451.1720 5.7009 5.7265 PRESSURE: 4301400 -37.7023 133.683 -9.83736 133.684 -68.6864 57.9584 -9.83827 57.9586 -135.806 GPRESSURE: 4301400 37.7391 42.9952 32.5058 236.079 -105.67 61.4044 -58.7001 32.88 -91.7929 PRESSAVG: 4301400 18.0162 15.7678 33.8361 15.7677 16.9511 -32.2463 33.8361 -32.2463 -9.96099 GPRESSAVG: 4301400 17.9207 12.2829 32.394 18.4417 16.2953 -31.6111 36.2535 -33.8474 -9.44633 TIMING: 4301400 CPU: 13910.3, 0.00315803/step Wall: 13910.3, 0.00315803/step, 0.612833 hours remaining, 235.726562 MB of memory in use. ENERGY: 4301400 4094.3365 20678.2656 14526.5300 248.7448 -204155.9830 2981.9216 0.0000 0.0000 52080.3391 -109545.8454 299.3064 -161626.1845 -109183.2281 299.8795 -80.7317 -53.2414 758600.8264 8.3354 8.2566 PRESSURE: 4301600 -163.344 -197.706 230.951 -197.707 -153.133 24.3718 230.951 24.3716 -148.671 GPRESSURE: 4301600 -85.5706 -174.752 254.843 -196.01 -220.159 61.9248 113.234 67.9879 -90.6359 PRESSAVG: 4301600 56.8536 15.41 19.8829 15.41 -22.398 -15.9982 19.8829 -15.9981 -34.7549 GPRESSAVG: 4301600 56.937 17.6661 20.5366 14.2942 -22.8568 -16.8584 19.9873 -14.5655 -34.0474 TIMING: 4301600 CPU: 13910.9, 0.00315118/step Wall: 13910.9, 0.00315118/step, 0.611328 hours remaining, 235.726562 MB of memory in use. ENERGY: 4301600 4020.3249 20657.4040 14433.1665 225.8358 -203322.7616 2291.8178 0.0000 0.0000 52038.8302 -109655.3824 299.0679 -161694.2127 -109284.5829 299.5282 -155.0492 -132.1218 759531.7594 -0.0998 0.0109 PRESSURE: 4301800 73.8805 231.225 91.6873 231.225 -275.905 126.543 91.6875 126.544 121.267 GPRESSURE: 4301800 51.906 287.102 85.1094 158.961 -160.633 142.481 55.8269 78.9265 105.084 PRESSAVG: 4301800 -29.4793 -17.5339 16.8622 -17.5339 8.33756 9.75843 16.8622 9.75846 14.6202 GPRESSAVG: 4301800 -28.1171 -17.6128 16.8527 -17.9208 8.01815 9.14019 16.3063 8.88471 13.1962 TIMING: 4301800 CPU: 13911.6, 0.00313771/step Wall: 13911.6, 0.00313771/step, 0.608542 hours remaining, 235.726562 MB of memory in use. ENERGY: 4301800 3948.9197 20511.5098 14423.7100 236.3256 -204062.6797 2739.2433 0.0000 0.0000 52269.6308 -109933.3405 300.3943 -162202.9713 -109559.3671 299.0104 -26.9192 -1.2142 759716.1020 -2.1738 -2.3009 PRESSURE: 4302000 -147.665 237.931 38.9559 237.93 83.9647 44.1446 38.9556 44.1454 131.766 GPRESSURE: 4302000 -60.3856 163.46 122.046 130.221 97.3736 164.625 -68.3611 30.9003 136.162 PRESSAVG: 4302000 -65.8127 -21.3683 -53.0242 -21.3683 92.3306 5.68507 -53.0242 5.68499 -14.2288 GPRESSAVG: 4302000 -64.8882 -22.4465 -53.8195 -21.1741 92.3245 6.38074 -53.2887 5.07642 -14.9371 TIMING: 4302000 CPU: 13912.2, 0.00315325/step Wall: 13912.2, 0.00315325/step, 0.61138 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4302000 3924.5363 20809.2254 14466.0871 232.7553 -203823.6352 2575.1886 0.0000 0.0000 51734.8324 -110081.0101 297.3208 -161815.8425 -109727.5290 298.4417 22.6882 57.7166 759525.4757 4.0964 4.1664 PRESSURE: 4302200 -141.571 89.5875 10.3048 89.5871 429.631 123.955 10.3053 123.955 59.2406 GPRESSURE: 4302200 -92.0142 80.4781 43.3442 118.833 474.544 100.51 10.6072 51.4474 37.3679 PRESSAVG: 4302200 -8.4429 65.2401 -2.02134 65.2401 17.3321 24.7994 -2.02129 24.7994 7.71994 GPRESSAVG: 4302200 -10.644 66.2283 -0.983688 64.4761 18.0448 24.633 -1.57809 26.5338 8.52776 TIMING: 4302200 CPU: 13912.8, 0.00313691/step Wall: 13912.8, 0.00313691/step, 0.608039 hours remaining, 235.726562 MB of memory in use. ENERGY: 4302200 4019.5587 20511.0129 14469.4189 238.7515 -203822.0026 2566.2692 0.0000 0.0000 51779.5998 -110237.3915 297.5781 -162016.9914 -109871.5061 298.0985 115.7669 139.9660 757649.4919 5.5364 5.3095 PRESSURE: 4302400 -57.2952 136.026 -132.127 136.026 -105.154 -69.8943 -132.127 -69.8947 5.07102 GPRESSURE: 4302400 -22.4274 166.081 -126.966 205.169 -9.5175 -67.3002 -243.486 8.87281 -30.9465 PRESSAVG: 4302400 -35.9554 85.011 -39.446 85.011 10.4898 -0.063695 -39.4459 -0.0637599 -0.160022 GPRESSAVG: 4302400 -35.2848 84.8461 -40.1878 85.5061 10.3903 -0.831695 -40.6417 -1.53669 -0.274679 TIMING: 4302400 CPU: 13913.5, 0.00314966/step Wall: 13913.5, 0.00314966/step, 0.610334 hours remaining, 235.726562 MB of memory in use. ENERGY: 4302400 4081.6829 20373.2230 14407.8808 238.4282 -203595.1296 2496.8642 0.0000 0.0000 51844.4510 -110152.5996 297.9508 -161997.0506 -109787.2985 297.9918 -52.4593 -20.9638 758459.0033 -8.5419 -8.3897 PRESSURE: 4302600 -132.275 -23.1213 -95.8167 -23.1196 -150.195 -121.045 -95.8166 -121.045 -99.6577 GPRESSURE: 4302600 -89.104 -15.0688 -104.935 -46.4059 -122.324 -147.998 -162.073 146.058 -60.308 PRESSAVG: 4302600 -11.8262 43.6848 13.682 43.6849 32.6799 29.2332 13.682 29.2333 -6.15224 GPRESSAVG: 4302600 -11.4021 46.5098 13.6422 42.9102 32.3824 30.3152 14.7448 29.463 -6.22465 TIMING: 4302600 CPU: 13914.1, 0.00317514/step Wall: 13914.1, 0.00317514/step, 0.615096 hours remaining, 235.726562 MB of memory in use. ENERGY: 4302600 4038.7838 20566.4162 14456.0345 235.6380 -203337.6617 2382.6550 0.0000 0.0000 51789.2633 -109868.8710 297.6336 -161658.1343 -109520.8737 298.0626 -127.3760 -90.5787 760470.4135 4.9005 4.9185 PRESSURE: 4302800 -132.663 7.39499 -22.4536 7.39382 -135.271 -134.783 -22.4528 -134.784 159.79 GPRESSURE: 4302800 -41.9661 -5.12142 -23.1492 71.5097 -95.2539 -125.954 41.8865 -100.942 119.519 PRESSAVG: 4302800 -32.0463 45.2145 21.2754 45.2145 28.7443 2.51546 21.2754 2.51545 -25.1789 GPRESSAVG: 4302800 -31.1728 42.5904 20.4423 45.7562 27.4274 1.16512 22.3529 4.73827 -25.0447 TIMING: 4302800 CPU: 13914.7, 0.00315917/step Wall: 13914.7, 0.00315917/step, 0.611826 hours remaining, 235.726562 MB of memory in use. ENERGY: 4302800 4045.8996 20620.1874 14475.2663 248.4584 -203710.4037 2527.9558 0.0000 0.0000 51816.7834 -109975.8528 297.7918 -161792.6362 -109613.5220 298.4569 -36.0481 -5.9003 761226.9612 -9.4937 -9.5967 PRESSURE: 4303000 16.0256 254.409 -63.489 254.409 64.7814 -17.7836 -63.4896 -17.7838 -78.349 GPRESSURE: 4303000 141.614 320.209 -48.9294 182.979 137.591 47.3103 -41.1316 -142.483 -201.953 PRESSAVG: 4303000 -50.0876 -7.1834 40.872 -7.18339 34.131 -14.8876 40.8719 -14.8876 7.48287 GPRESSAVG: 4303000 -50.6175 -6.90162 41.4348 -8.15674 35.6508 -13.4602 38.9222 -18.3438 6.18333 TIMING: 4303000 CPU: 13915.4, 0.00318774/step Wall: 13915.4, 0.00318774/step, 0.617182 hours remaining, 235.726562 MB of memory in use. ENERGY: 4303000 3916.3760 20612.9041 14517.8734 244.1943 -203186.6190 2306.3956 0.0000 0.0000 51744.7391 -109844.1365 297.3777 -161588.8756 -109474.9709 297.7739 0.8193 25.7504 760929.9806 -2.8246 -2.9278 PRESSURE: 4303200 74.4526 223.008 -48.2739 223.008 143.326 52.2533 -48.2735 52.2532 -106.438 GPRESSURE: 4303200 132.033 215.727 -172.907 249.152 200.003 -35.4505 -19.3509 53.8891 -132.991 PRESSAVG: 4303200 -41.8038 -15.2751 14.1054 -15.2751 11.6641 10.6435 14.1054 10.6434 16.8425 GPRESSAVG: 4303200 -42.5618 -14.6796 14.9276 -14.8878 11.3182 9.36662 15.1999 11.2298 18.1474 TIMING: 4303200 CPU: 13916, 0.00317623/step Wall: 13916, 0.00317623/step, 0.614778 hours remaining, 235.726562 MB of memory in use. ENERGY: 4303200 3976.4910 20537.3929 14499.7755 262.3246 -203656.0425 2558.3240 0.0000 0.0000 52172.0002 -109649.7342 299.8332 -161821.7344 -109288.2225 298.8141 37.1135 66.3481 760684.0742 -4.4324 -4.3654 PRESSURE: 4303400 -4.39067 -131.767 -18.2457 -131.767 101.082 -54.8686 -18.2454 -54.8684 0.533011 GPRESSURE: 4303400 48.1354 -126.951 -1.18909 -31.1156 161.642 -81.6552 -32.0698 158.946 -32.3623 PRESSAVG: 4303400 29.6079 -18.2926 -14.4986 -18.2926 -22.3729 1.49688 -14.4986 1.49689 -5.24535 GPRESSAVG: 4303400 29.8327 -17.2634 -15.8864 -16.0717 -20.6717 1.6853 -16.1134 2.68868 -6.78244 TIMING: 4303400 CPU: 13916.6, 0.00316233/step Wall: 13916.6, 0.00316233/step, 0.611911 hours remaining, 235.726562 MB of memory in use. ENERGY: 4303400 4059.0601 20482.1167 14435.1664 261.9417 -203243.4583 2384.8572 0.0000 0.0000 51914.9692 -109705.3470 298.3560 -161620.3162 -109348.2053 299.0479 32.4082 59.1384 759868.6327 0.6632 0.7929 PRESSURE: 4303600 11.9785 -5.37727 -201.664 -5.3773 -239.772 -98.2524 -201.665 -98.2514 -161.736 GPRESSURE: 4303600 30.5021 -169.459 -61.4204 -41.2202 -145.053 -182.32 -210.312 38.6975 -193.812 PRESSAVG: 4303600 -6.90908 -57.598 -5.09968 -57.5981 -34.0174 -47.56 -5.0997 -47.5601 17.8154 GPRESSAVG: 4303600 -7.70257 -59.6503 -2.82208 -60.5715 -34.4971 -47.6074 -5.63192 -48.0863 18.9754 TIMING: 4303600 CPU: 13917.3, 0.00317145/step Wall: 13917.3, 0.00317145/step, 0.613499 hours remaining, 235.726562 MB of memory in use. ENERGY: 4303600 3947.5426 20387.3311 14477.7232 234.1362 -203317.7678 2442.5816 0.0000 0.0000 52002.4642 -109825.9889 298.8589 -161828.4531 -109446.7840 298.5962 -129.8432 -102.7878 760894.9563 -7.7037 -7.7414 PRESSURE: 4303800 243.77 -65.5472 60.2436 -65.5488 -161.818 31.7625 60.2445 31.7631 -130.741 GPRESSURE: 4303800 204.063 -66.5992 23.8736 -30.246 -51.8402 95.1008 -5.65209 74.0745 -98.9438 PRESSAVG: 4303800 58.8261 -21.3422 -18.3786 -21.3423 -61.6113 -44.7451 -18.3786 -44.745 36.1544 GPRESSAVG: 4303800 58.3779 -19.2942 -19.2719 -20.3116 -61.4562 -45.0148 -17.7342 -44.0381 36.4003 TIMING: 4303800 CPU: 13917.9, 0.00316949/step Wall: 13917.9, 0.00316949/step, 0.612943 hours remaining, 235.726562 MB of memory in use. ENERGY: 4303800 3899.6530 20576.1709 14420.5290 246.5520 -203145.2021 2301.1138 0.0000 0.0000 51990.7417 -109710.4418 298.7915 -161701.1835 -109350.0825 299.0137 -16.2627 17.7596 761274.4548 11.1231 11.1073 PRESSURE: 4304000 387.015 -208.883 316.629 -208.883 -307.002 -90.7296 316.63 -90.7296 277.38 GPRESSURE: 4304000 478.615 -89.3091 243.71 -192.132 -250.599 -171.038 298.118 -168.177 219.014 PRESSAVG: 4304000 63.4902 -37.7285 46.8176 -37.7285 -73.7967 -3.29438 46.8176 -3.29433 -10.9819 GPRESSAVG: 4304000 65.5795 -41.1435 46.7612 -35.8813 -75.2632 -4.16585 45.6094 -2.50889 -11.3165 TIMING: 4304000 CPU: 13918.5, 0.00318431/step Wall: 13918.5, 0.00318431/step, 0.615634 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4304000 3927.4941 20197.1236 14498.2985 260.3468 -203955.5624 2927.0035 0.0000 0.0000 52284.2585 -109861.0372 300.4784 -162145.2958 -109488.6506 298.5229 119.1313 149.0102 760289.0827 -7.0961 -7.0001 PRESSURE: 4304200 -195.652 -30.7582 8.40797 -30.7574 -234.054 32.5939 8.40739 32.5942 74.0017 GPRESSURE: 4304200 -181.156 -80.8238 -130.458 -96.213 -135.742 10.7517 102.148 -49.6388 33.1655 PRESSAVG: 4304200 -7.02965 -35.837 48.3949 -35.837 -25.3803 -32.0214 48.3949 -32.0214 6.08618 GPRESSAVG: 4304200 -8.56682 -34.5649 48.0622 -37.4155 -24.4841 -31.2593 49.014 -34.2523 6.7317 TIMING: 4304200 CPU: 13919.2, 0.00315611/step Wall: 13919.2, 0.00315611/step, 0.610007 hours remaining, 235.726562 MB of memory in use. ENERGY: 4304200 3978.0177 20329.3111 14464.4360 257.4619 -202973.8433 2396.1928 0.0000 0.0000 51886.8599 -109661.5640 298.1945 -161548.4238 -109300.3351 298.3271 -118.5681 -94.5773 760933.1620 -8.7746 -8.7731 LDB: ============= START OF LOAD BALANCING ============== 13931.6 LDB: ============== END OF LOAD BALANCING =============== 13931.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13931.6 LDB: ============= START OF LOAD BALANCING ============== 13931.9 LDB: Largest compute 7034 load 0.031213 is 16.0% of average load 0.195553 LDB: Average compute 0.004392 is 2.2% of average load 0.195553 LDB: TIME 13931.9 LOAD: AVG 0.195553 MAX 0.211864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 13931.9 LOAD: AVG 0.195553 MAX 0.211864 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: TIME 13931.9 LOAD: AVG 0.195553 MAX 0.211864 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: ============== END OF LOAD BALANCING =============== 13931.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13931.9 PRESSURE: 4304400 -197.185 307.511 -199.075 307.51 -58.3097 -257.343 -199.075 -257.343 -51.9495 GPRESSURE: 4304400 -152.567 207.923 -215.383 221.289 -89.9659 -239.061 -194.98 -287.07 1.61834 PRESSAVG: 4304400 49.8277 3.7845 -12.093 3.78447 -75.94 -53.6927 -12.093 -53.6927 4.20585 GPRESSAVG: 4304400 50.2505 3.44245 -10.9354 1.92888 -76.3658 -53.523 -12.4189 -52.9461 4.27804 TIMING: 4304400 CPU: 13919.8, 0.00326244/step Wall: 13919.8, 0.00326244/step, 0.630376 hours remaining, 235.324219 MB of memory in use. ENERGY: 4304400 3952.6723 20430.4960 14437.9965 253.0469 -203201.0136 2363.8482 0.0000 0.0000 52148.4787 -109614.4750 299.6980 -161762.9538 -109241.7343 298.8506 -102.4813 -80.3050 761557.8844 -7.3021 -7.2791 PRESSURE: 4304600 -229.804 4.59895 -257.569 4.59883 311.798 7.98558 -257.569 7.98503 60.3733 GPRESSURE: 4304600 -144.705 -120.251 -271.001 -55.9925 295.108 -39.2333 -297.844 -85.9661 80.9347 PRESSAVG: 4304600 33.1139 32.1703 -12.9763 32.1702 -25.5751 -4.51138 -12.9763 -4.51139 -40.849 GPRESSAVG: 4304600 33.7361 33.3096 -14.6389 33.6858 -25.1395 -3.85424 -11.0599 -3.186 -41.8008 TIMING: 4304600 CPU: 13920.5, 0.00316976/step Wall: 13920.5, 0.00316976/step, 0.612292 hours remaining, 235.582031 MB of memory in use. ENERGY: 4304600 3956.5263 20385.7913 14498.2924 251.0839 -203101.5577 2447.0959 0.0000 0.0000 51971.5968 -109591.1711 298.6815 -161562.7679 -109237.5033 299.0865 47.4558 77.1125 760100.3507 -11.1034 -11.0681 PRESSURE: 4304800 -67.6054 16.8121 -36.1779 16.812 -155.791 -108.98 -36.1776 -108.98 188.58 GPRESSURE: 4304800 28.2024 70.3105 -52.829 -68.3007 -183.631 -162.978 -7.2751 -152.756 212.078 PRESSAVG: 4304800 11.1778 -1.0178 43.4991 -1.01768 1.38187 7.09111 43.4992 7.09112 7.62955 GPRESSAVG: 4304800 9.45665 -0.16984 44.2326 -1.32678 1.54758 6.96627 41.2704 5.878 8.90847 TIMING: 4304800 CPU: 13921.1, 0.00316304/step Wall: 13921.1, 0.00316304/step, 0.610819 hours remaining, 235.582031 MB of memory in use. ENERGY: 4304800 4062.4157 20371.4145 14472.1284 239.9261 -202987.7535 2530.6460 0.0000 0.0000 52009.1059 -109302.1168 298.8970 -161311.2227 -108933.9381 299.6640 -11.6055 18.8831 760027.1745 6.7297 6.6376 PRESSURE: 4305000 90.0566 -185.656 -89.1162 -185.656 -89.4631 -10.4258 -89.1155 -10.426 -269.499 GPRESSURE: 4305000 77.4279 -175.069 -85.91 -70.4034 -6.29252 24.7758 -178.454 -81.1092 -264.086 PRESSAVG: 4305000 3.05506 -57.7602 53.2517 -57.7602 0.906127 -35.5741 53.2516 -35.5741 17.2744 GPRESSAVG: 4305000 3.84033 -59.0588 52.453 -57.8652 0.201253 -36.8043 54.4107 -35.2888 16.7702 TIMING: 4305000 CPU: 13921.7, 0.00317098/step Wall: 13921.7, 0.00317097/step, 0.612174 hours remaining, 235.582031 MB of memory in use. ENERGY: 4305000 4012.5477 20377.3346 14427.5666 249.4377 -202737.8188 2211.1666 0.0000 0.0000 52020.4214 -109439.3442 298.9621 -161459.7655 -109069.9013 299.4881 -89.6352 -64.3168 760150.8145 7.0785 6.9373 PRESSURE: 4305200 70.7766 78.3622 202.247 78.3617 -576.749 -123.505 202.245 -123.505 -352.792 GPRESSURE: 4305200 121.923 -15.6267 214.997 83.1554 -582.345 -15.3245 72.3725 -128.956 -309.15 PRESSAVG: 4305200 35.8996 -25.2075 26.5125 -25.2076 -58.406 -31.0992 26.5125 -31.0992 -3.30744 GPRESSAVG: 4305200 35.4824 -25.4762 27.8668 -24.8852 -60.0511 -29.2687 26.0612 -31.3934 -2.05803 TIMING: 4305200 CPU: 13922.3, 0.00314936/step Wall: 13922.3, 0.00314936/step, 0.607827 hours remaining, 235.582031 MB of memory in use. ENERGY: 4305200 3986.0521 20536.2760 14436.5096 238.8915 -202815.2242 2114.4324 0.0000 0.0000 51954.0014 -109549.0612 298.5804 -161503.0626 -109178.9934 299.1088 -286.2549 -256.5238 762377.2394 -8.6046 -8.8756 PRESSURE: 4305400 -125.917 -44.9878 -9.18518 -44.9873 133.389 -141.143 -9.18553 -141.143 -263.559 GPRESSURE: 4305400 -25.8315 25.3933 28.0003 32.0949 146.394 -90.9008 -87.4384 -108.438 -285.149 PRESSAVG: 4305400 53.6375 -11.2555 -14.7241 -11.2555 -29.6843 -15.6433 -14.724 -15.6433 -12.6319 GPRESSAVG: 4305400 53.1195 -10.0977 -15.2371 -12.828 -27.7771 -15.0169 -14.1439 -15.0619 -13.9108 TIMING: 4305400 CPU: 13923, 0.0031576/step Wall: 13923, 0.0031576/step, 0.609241 hours remaining, 235.582031 MB of memory in use. ENERGY: 4305400 4044.0377 20458.5084 14436.0232 232.1955 -203392.5372 2457.4064 0.0000 0.0000 51841.1897 -109923.1762 297.9320 -161764.3659 -109569.1051 298.4873 -85.3622 -54.8623 761203.8253 3.7738 3.8106 PRESSURE: 4305600 53.0638 30.7439 -61.1672 30.7445 265.645 125.62 -61.1675 125.62 290.955 GPRESSURE: 4305600 97.5404 -0.0806502 -28.8796 35.7258 311.31 64.1305 -129.011 -5.68727 307.586 PRESSAVG: 4305600 1.41848 -35.6442 -32.4803 -35.6441 -20.1185 30.9249 -32.4803 30.9249 25.2083 GPRESSAVG: 4305600 2.83044 -35.7485 -32.4384 -32.2325 -19.6729 30.6582 -33.4272 28.4736 24.4019 TIMING: 4305600 CPU: 13923.6, 0.0031547/step Wall: 13923.6, 0.0031547/step, 0.608506 hours remaining, 235.582031 MB of memory in use. ENERGY: 4305600 4005.2877 20566.4701 14460.4930 253.3729 -203544.3416 2703.3665 0.0000 0.0000 51823.9284 -109731.4229 297.8328 -161555.3513 -109367.4965 298.7285 203.2215 238.8123 759705.7500 2.1694 2.5198 PRESSURE: 4305800 168.47 -156.836 44.294 -156.837 16.2904 -2.65087 44.2931 -2.6509 -59.8609 GPRESSURE: 4305800 202.745 -202.358 99.9911 -195.982 85.2814 10.3237 84.351 13.1 -83.1782 PRESSAVG: 4305800 -21.3653 -56.6598 10.0008 -56.6598 6.16623 14.4357 10.0007 14.4357 19.1054 GPRESSAVG: 4305800 -21.1794 -59.2943 9.32199 -58.9388 5.28315 12.9795 10.8596 16.0215 19.0765 TIMING: 4305800 CPU: 13924.2, 0.00317849/step Wall: 13924.2, 0.00317849/step, 0.612918 hours remaining, 235.582031 MB of memory in use. ENERGY: 4305800 3926.6448 20545.9417 14559.2572 264.5640 -203626.2054 2587.1332 0.0000 0.0000 51770.4488 -109972.2157 297.5255 -161742.6646 -109619.4454 298.7953 41.6332 68.2826 760212.1131 1.3021 1.0601 PRESSURE: 4306000 306.218 -69.2595 -48.501 -69.2591 23.2481 280.201 -48.5008 280.201 166.584 GPRESSURE: 4306000 281.775 -132.903 -117.005 -141.795 71.5047 223.234 -16.7519 41.2749 244.469 PRESSAVG: 4306000 20.0159 -11.5644 0.900775 -11.5644 -9.7566 -31.9938 0.900825 -31.9939 -11.3045 GPRESSAVG: 4306000 19.2737 -7.98305 0.179493 -13.0922 -9.55047 -32.3616 2.34924 -30.9883 -10.6768 TIMING: 4306000 CPU: 13924.9, 0.00316673/step Wall: 13924.9, 0.00316673/step, 0.610475 hours remaining, 235.582031 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: 4306000 3988.2232 20557.6083 14438.5878 256.0783 -203418.6256 2472.0642 0.0000 0.0000 51863.7385 -109842.3253 298.0616 -161706.0638 -109476.8711 298.6015 165.3500 199.2496 759141.3236 -0.3484 -0.3179 PRESSURE: 4306200 -317.014 43.945 -67.4012 43.9445 -190.585 34.5943 -67.4016 34.5943 -373.723 GPRESSURE: 4306200 -218.719 65.18 -16.5524 164.183 -214.265 73.3781 -147.24 -40.0539 -373.076 PRESSAVG: 4306200 70.8809 -31.2805 46.5621 -31.2805 -25.4839 -32.5174 46.5622 -32.5173 7.34441 GPRESSAVG: 4306200 71.0928 -33.2716 47.4578 -29.0843 -25.9249 -33.5802 43.4007 -32.6161 7.66251 TIMING: 4306200 CPU: 13925.5, 0.00320859/step Wall: 13925.5, 0.00320859/step, 0.618367 hours remaining, 235.582031 MB of memory in use. ENERGY: 4306200 4011.7621 20445.1224 14373.9922 235.6625 -203019.2442 2074.3213 0.0000 0.0000 52066.4909 -109811.8929 299.2268 -161878.3838 -109440.4360 298.8820 -293.7737 -268.6865 761252.2661 17.5805 17.6102 PRESSURE: 4306400 109.913 181.345 74.2897 181.345 -274.703 -134.511 74.2902 -134.511 61.3262 GPRESSURE: 4306400 53.9952 107.538 68.0835 249.743 -190.735 -164.573 125.526 -184.301 113.638 PRESSAVG: 4306400 32.9042 16.7206 1.91041 16.7206 -39.2604 -76.1611 1.91049 -76.1611 -5.85103 GPRESSAVG: 4306400 32.066 17.2458 3.10758 16.6875 -38.0643 -75.2886 3.60944 -77.0949 -6.23347 TIMING: 4306400 CPU: 13926.2, 0.00320828/step Wall: 13926.2, 0.00320828/step, 0.618128 hours remaining, 235.718750 MB of memory in use. ENERGY: 4306400 4032.3970 20525.4877 14408.7126 248.4390 -203404.5134 2546.1288 0.0000 0.0000 51752.1508 -109891.1976 297.4203 -161643.3484 -109535.2697 298.7904 -34.4879 -7.7008 760945.6526 -4.0691 -4.0773 PRESSURE: 4306600 -305.848 -36.2554 93.5012 -36.2549 -81.915 -20.9179 93.5 -20.9181 -325.656 GPRESSURE: 4306600 -191.102 -16.3125 112.237 19.847 -44.6886 46.4236 52.7727 -6.29058 -387.168 PRESSAVG: 4306600 12.3297 -35.4805 7.39581 -35.4805 -17.651 -33.7309 7.39574 -33.7308 -1.89217 GPRESSAVG: 4306600 11.8731 -36.246 6.82781 -34.8385 -16.7231 -31.8652 7.4621 -34.272 -2.18916 TIMING: 4306600 CPU: 13926.8, 0.00317979/step Wall: 13926.8, 0.00317979/step, 0.612464 hours remaining, 235.718750 MB of memory in use. ENERGY: 4306600 3972.3174 20422.6051 14470.3426 254.3340 -203185.6147 2166.6031 0.0000 0.0000 51730.4667 -110168.9459 297.2957 -161899.4126 -109809.7559 298.4157 -237.8062 -207.6528 761800.1981 -2.4045 -2.3464 PRESSURE: 4306800 -146.848 -277.212 -361.362 -277.212 -239.382 4.56315 -361.362 4.56271 -465.179 GPRESSURE: 4306800 -146.168 -166.839 -424.189 -235.258 -243.891 51.0129 -254.709 48.6577 -389.038 PRESSAVG: 4306800 19.381 0.374045 -68.8857 0.374033 0.0576189 -5.7839 -68.8858 -5.78386 35.5322 GPRESSAVG: 4306800 19.8477 2.91774 -70.7736 -2.06969 -1.80111 -6.37146 -68.8988 -6.98688 36.9382 TIMING: 4306800 CPU: 13927.4, 0.003198/step Wall: 13927.4, 0.003198/step, 0.615792 hours remaining, 235.718750 MB of memory in use. ENERGY: 4306800 4043.5639 20460.7212 14403.4941 252.4468 -203281.3227 2466.0946 0.0000 0.0000 51705.3423 -109949.6598 297.1513 -161655.0021 -109603.9268 298.3135 -283.8030 -259.6990 761873.4985 18.3236 18.3283 PRESSURE: 4307000 -32.4141 134.866 -33.076 134.864 119.572 -68.2278 -33.0763 -68.2281 -343.448 GPRESSURE: 4307000 -29.671 136.348 -26.9959 139.197 183.906 -75.7809 -215.254 -137.24 -304.001 PRESSAVG: 4307000 -3.11707 36.4385 -32.4705 36.4385 -13.0343 -61.1458 -32.4705 -61.1458 -30.428 GPRESSAVG: 4307000 -3.01703 35.397 -30.7805 36.564 -12.8092 -61.5901 -33.8162 -57.3313 -30.4655 TIMING: 4307000 CPU: 13928.1, 0.00319641/step Wall: 13928.1, 0.00319641/step, 0.615308 hours remaining, 235.718750 MB of memory in use. ENERGY: 4307000 4008.7663 20417.0527 14476.8351 242.5792 -203647.8981 2644.1422 0.0000 0.0000 52076.7845 -109781.7382 299.2860 -161858.5226 -109417.3984 298.5257 -85.4301 -49.9221 759718.8770 -15.5265 -15.4306 PRESSURE: 4307200 -143.813 -93.8055 -225.842 -93.8062 -257.167 97.5765 -225.843 97.5777 -155.498 GPRESSURE: 4307200 -107.089 -141.964 -221.847 107.356 -250.3 148.969 -149.863 162.244 -109.483 PRESSAVG: 4307200 68.3026 17.6235 -44.2295 17.6235 -5.88078 -18.957 -44.2294 -18.957 11.6188 GPRESSAVG: 4307200 68.3687 17.8195 -44.0435 19.5559 -4.56335 -18.9159 -43.42 -21.8569 10.6523 TIMING: 4307200 CPU: 13928.7, 0.00315943/step Wall: 13928.7, 0.00315943/step, 0.608015 hours remaining, 235.718750 MB of memory in use. ENERGY: 4307200 3981.8510 20666.7861 14499.8349 226.9334 -203081.0266 2237.4494 0.0000 0.0000 51725.8543 -109742.3176 297.2692 -161468.1718 -109389.7827 298.9053 -185.4928 -155.6241 762244.3269 24.6802 24.8192 PRESSURE: 4307400 204.805 11.4933 278.915 11.493 -15.9326 -120.33 278.916 -120.33 358.086 GPRESSURE: 4307400 305.005 7.98681 250.656 -11.7144 25.0981 -25.7744 348.051 -64.3044 285.754 PRESSAVG: 4307400 -65.003 2.18053 -63.9417 2.18053 18.5489 6.76083 -63.9418 6.76074 2.05406 GPRESSAVG: 4307400 -64.9706 0.262354 -64.3078 2.47128 18.7304 7.51425 -65.1526 10.1088 1.91721 TIMING: 4307400 CPU: 13929.3, 0.00320422/step Wall: 13929.3, 0.00320422/step, 0.616457 hours remaining, 235.718750 MB of memory in use. ENERGY: 4307400 3965.1622 20648.4070 14486.1502 245.6448 -203539.2576 2737.2548 0.0000 0.0000 51880.8183 -109575.8203 298.1598 -161456.6386 -109220.8753 298.8023 182.3195 205.2856 760861.1978 -14.8000 -14.7744 PRESSURE: 4307600 -207.222 180.962 -93.9461 180.962 -67.6308 -156.745 -93.947 -156.745 -1.85325 GPRESSURE: 4307600 -159.571 150.386 -139.656 182.347 -37.4964 -135.193 -56.1838 -81.9975 -5.00267 PRESSAVG: 4307600 -49.4496 34.5972 -47.2958 34.5972 26.4932 19.5525 -47.2957 19.5524 -8.37142 GPRESSAVG: 4307600 -48.597 36.4408 -45.5308 35.1216 24.4371 18.6557 -45.4544 19.6833 -7.51974 TIMING: 4307600 CPU: 13930, 0.00321747/step Wall: 13930, 0.00321747/step, 0.618827 hours remaining, 235.718750 MB of memory in use. ENERGY: 4307600 4031.8254 20329.3463 14519.4785 254.9979 -203384.8953 2463.3544 0.0000 0.0000 52173.3392 -109612.5535 299.8409 -161785.8928 -109254.1217 299.1958 -92.2353 -67.3566 760801.0366 -10.4426 -10.5599 PRESSURE: 4307800 -253.788 -80.3532 -342.144 -80.3533 -110.912 -66.4889 -342.144 -66.4888 164.585 GPRESSURE: 4307800 -262.645 -100.089 -215.268 -192.736 5.63149 -80.2651 -329.043 -16.3552 139.64 PRESSAVG: 4307800 37.6161 -47.2084 -7.25437 -47.2084 -50.8861 -17.4215 -7.25438 -17.4214 13.7156 GPRESSAVG: 4307800 36.8433 -47.8966 -7.9658 -49.6422 -48.9164 -15.8713 -7.65991 -20.5355 12.6276 TIMING: 4307800 CPU: 13930.6, 0.00317402/step Wall: 13930.6, 0.00317402/step, 0.610294 hours remaining, 235.718750 MB of memory in use. ENERGY: 4307800 4029.1289 20365.1164 14482.1451 282.8001 -203408.5761 2416.7585 0.0000 0.0000 52031.3541 -109801.2730 299.0249 -161832.6271 -109444.5522 299.3726 -66.7050 -39.1246 759024.0731 0.1485 0.1848 PRESSURE: 4308000 285.126 -178.153 -117.322 -178.155 -20.1535 263.588 -117.322 263.588 -108.118 GPRESSURE: 4308000 291.318 -260.536 -193.839 -153.129 -36.5101 203.48 -85.9975 232.945 3.9388 PRESSAVG: 4308000 -18.098 -19.8354 21.8456 -19.8354 -13.6609 -35.7763 21.8456 -35.7763 16.1733 GPRESSAVG: 4308000 -17.1787 -20.9461 22.0097 -18.9741 -15.3288 -37.8311 22.7468 -34.9551 16.7137 TIMING: 4308000 CPU: 13931.3, 0.00321048/step Wall: 13931.3, 0.00321048/step, 0.617125 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4308000 3967.7913 20458.6142 14462.2959 253.7948 -203571.4009 2631.2358 0.0000 0.0000 51913.4929 -109884.1759 298.3476 -161797.6689 -109518.1318 299.4210 52.2852 86.2488 760137.6217 -5.1952 -5.2646 PRESSURE: 4308200 -55.3204 186.188 -12.5129 186.188 -223.602 -41.5079 -12.5117 -41.5082 26.817 GPRESSURE: 4308200 -4.33963 170.221 -10.858 323.058 -177.676 -63.1774 10.7895 -131.305 42.7671 PRESSAVG: 4308200 11.6076 -8.30377 -73.9282 -8.30378 -54.6865 -13.7923 -73.9282 -13.7922 10.2371 GPRESSAVG: 4308200 11.8068 -6.19021 -73.8943 -10.1328 -54.3541 -12.1372 -74.4397 -13.0435 9.5658 TIMING: 4308200 CPU: 13931.9, 0.00318966/step Wall: 13931.9, 0.00318966/step, 0.612946 hours remaining, 235.718750 MB of memory in use. ENERGY: 4308200 3995.9659 20540.8645 14420.6451 253.1434 -203415.2933 2470.5333 0.0000 0.0000 51871.7737 -109862.3675 298.1078 -161734.1412 -109509.2519 298.7177 -84.0351 -46.4163 760662.5723 -10.9473 -10.9938 LDB: ============= START OF LOAD BALANCING ============== 13944.3 LDB: ============== END OF LOAD BALANCING =============== 13944.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13944.3 LDB: ============= START OF LOAD BALANCING ============== 13944.7 LDB: Largest compute 7033 load 0.031290 is 16.0% of average load 0.195590 LDB: Average compute 0.004406 is 2.3% of average load 0.195590 LDB: TIME 13944.7 LOAD: AVG 0.19559 MAX 0.214504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 13944.7 LOAD: AVG 0.19559 MAX 0.214504 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 13944.7 LOAD: AVG 0.19559 MAX 0.214504 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 13944.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13944.7 PRESSURE: 4308400 238.743 -32.9094 39.1955 -32.9093 112.054 104.977 39.1952 104.976 254.467 GPRESSURE: 4308400 173.595 -22.9643 -66.2582 -47.9953 191.988 90.0679 -79.2385 120.786 329.316 PRESSAVG: 4308400 -6.80362 -18.0015 -15.3528 -18.0015 24.5331 -27.7015 -15.3528 -27.7015 21.1258 GPRESSAVG: 4308400 -9.02912 -19.1296 -17.7511 -15.8912 25.6288 -28.6889 -15.5 -27.4542 22.4934 TIMING: 4308400 CPU: 13932.6, 0.0032591/step Wall: 13932.6, 0.0032591/step, 0.62611 hours remaining, 234.882812 MB of memory in use. ENERGY: 4308400 3911.1620 20617.0362 14388.8450 244.5012 -203884.1617 2836.6206 0.0000 0.0000 52050.0212 -109835.9754 299.1322 -161885.9966 -109470.6414 299.1908 201.7549 231.6329 759626.9995 12.9518 13.0310 PRESSURE: 4308600 -419.747 -220.866 321.863 -220.867 338.863 16.2138 321.863 16.2134 257.436 GPRESSURE: 4308600 -386.352 -185.761 369.374 -81.9346 362.682 -23.3527 271.855 -55.2063 273.806 PRESSAVG: 4308600 -10.6004 -48.4772 20.6406 -48.4771 8.51857 18.1326 20.6405 18.1326 4.93698 GPRESSAVG: 4308600 -9.75975 -48.5275 22.4413 -48.3648 8.62973 18.317 19.7611 16.0418 4.00713 TIMING: 4308600 CPU: 13933.2, 0.00317762/step Wall: 13933.2, 0.00317762/step, 0.61028 hours remaining, 234.882812 MB of memory in use. ENERGY: 4308600 3967.5726 20435.5049 14481.7917 245.0655 -203422.0834 2555.5430 0.0000 0.0000 51913.1040 -109823.5017 298.3453 -161736.6057 -109464.2832 299.0402 58.8508 83.3788 759600.5416 0.9517 0.9590 PRESSURE: 4308800 35.1672 -29.1006 75.5237 -29.1 -399.615 -108.227 75.5238 -108.226 -176.24 GPRESSURE: 4308800 109.88 -125.299 143.729 -93.4744 -454.336 -48.6484 32.7695 -169.464 -119.096 PRESSAVG: 4308800 -31.1771 -29.6434 22.0281 -29.6433 15.5421 -1.39422 22.0281 -1.39424 21.1538 GPRESSAVG: 4308800 -31.7216 -29.5296 21.1953 -30.235 15.8619 1.10056 21.8747 -1.35403 21.3923 TIMING: 4308800 CPU: 13933.8, 0.00316428/step Wall: 13933.8, 0.00316428/step, 0.607542 hours remaining, 234.882812 MB of memory in use. ENERGY: 4308800 3936.6872 20478.1372 14437.6379 230.2261 -203980.1731 2899.3721 0.0000 0.0000 51971.1432 -110026.9694 298.6789 -161998.1126 -109656.5902 298.7166 -180.2295 -154.5174 760961.2679 1.8396 1.8442 PRESSURE: 4309000 -145.665 319.32 62.3298 319.32 302.963 146.047 62.3297 146.048 96.6973 GPRESSURE: 4309000 -96.7671 260.363 104.964 238.187 273.214 68.8942 -82.2267 79.3327 184.092 PRESSAVG: 4309000 10.9302 9.28022 24.8274 9.28018 -56.3179 9.95301 24.8274 9.95304 -31.282 GPRESSAVG: 4309000 12.3011 10.4599 24.8565 8.21503 -57.2244 7.32367 26.4236 11.1774 -31.151 TIMING: 4309000 CPU: 13934.5, 0.00318243/step Wall: 13934.5, 0.00318243/step, 0.61085 hours remaining, 234.882812 MB of memory in use. ENERGY: 4309000 3978.4643 20337.7496 14418.6700 231.0970 -204003.9115 3018.7740 0.0000 0.0000 52012.7579 -110006.3987 298.9180 -162019.1566 -109659.1064 298.4369 84.6652 120.1798 760978.0258 -25.5566 -25.3581 PRESSURE: 4309200 -44.3982 89.0024 -22.4533 89.003 -75.5024 -146.793 -22.4527 -146.794 -435.233 GPRESSURE: 4309200 -33.3228 16.9615 -12.4883 186.29 2.69357 -184.689 47.7016 -187.752 -445.467 PRESSAVG: 4309200 12.6281 35.8348 -39.1467 35.8348 8.4682 33.0884 -39.1467 33.0884 -15.7562 GPRESSAVG: 4309200 12.3192 35.0838 -38.553 37.0027 8.60258 33.2701 -40.4316 32.205 -16.0391 TIMING: 4309200 CPU: 13935.1, 0.0032043/step Wall: 13935.1, 0.0032043/step, 0.614869 hours remaining, 234.882812 MB of memory in use. ENERGY: 4309200 4056.4351 20277.2253 14550.9801 240.3220 -203423.9699 2505.9802 0.0000 0.0000 51962.0894 -109830.9380 298.6268 -161793.0274 -109464.4390 298.5307 -185.0444 -158.6988 761067.5787 1.7800 1.6276 PRESSURE: 4309400 -40.0405 35.7317 -166.749 35.732 171.063 -4.35942 -166.749 -4.35886 176.504 GPRESSURE: 4309400 46.4413 79.407 -197.254 -14.8643 160.673 62.9545 -79.2668 60.0541 187.218 PRESSAVG: 4309400 -24.7117 3.72837 64.9212 3.72833 35.3199 7.19004 64.9212 7.19002 13.4234 GPRESSAVG: 4309400 -24.3245 4.53609 66.0025 2.24706 34.4902 7.30825 63.7081 7.6411 13.3209 TIMING: 4309400 CPU: 13935.7, 0.00316515/step Wall: 13935.7, 0.00316515/step, 0.607182 hours remaining, 234.882812 MB of memory in use. ENERGY: 4309400 3918.2139 20441.8861 14411.9856 271.2786 -203480.3591 2430.7961 0.0000 0.0000 52173.4735 -109832.7253 299.8417 -162006.1988 -109475.3847 298.9557 102.5088 131.4441 759474.7633 8.0105 7.8289 PRESSURE: 4309600 133.869 -45.0924 -279.936 -45.0931 -49.6621 -318.367 -279.937 -318.366 -243.643 GPRESSURE: 4309600 59.573 -73.6985 -255.555 -36.9845 60.256 -213.198 -225.4 -304.517 -199.849 PRESSAVG: 4309600 25.9424 -40.6559 28.8098 -40.6559 -10.9718 -40.1706 28.8098 -40.1706 26.0815 GPRESSAVG: 4309600 25.6564 -42.9675 28.7798 -39.8194 -10.2148 -40.7152 27.7218 -38.9942 26.0123 TIMING: 4309600 CPU: 13936.4, 0.00317801/step Wall: 13936.4, 0.00317801/step, 0.609472 hours remaining, 234.882812 MB of memory in use. ENERGY: 4309600 4047.8972 20346.6896 14555.7439 232.3797 -203506.2212 2573.0118 0.0000 0.0000 51819.7653 -109930.7337 297.8089 -161750.4990 -109570.6402 298.5776 -53.1453 -26.6732 760881.3674 13.6841 13.8180 PRESSURE: 4309800 -187.966 33.9678 91.9035 33.9667 361.064 360.428 91.9025 360.428 188.052 GPRESSURE: 4309800 -117.873 8.51169 96.4668 58.177 266.71 249.68 91.1459 275.067 307.161 PRESSAVG: 4309800 3.38523 8.72107 10.2494 8.72103 -10.0081 -22.9217 10.2494 -22.9216 -23.0828 GPRESSAVG: 4309800 3.72327 11.439 11.4192 7.75605 -10.8739 -22.2787 12.3328 -23.8489 -22.084 TIMING: 4309800 CPU: 13937, 0.00316207/step Wall: 13937, 0.00316207/step, 0.606239 hours remaining, 234.882812 MB of memory in use. ENERGY: 4309800 4012.0704 20420.3519 14443.2624 252.6864 -203379.3821 2553.3978 0.0000 0.0000 51703.6170 -109993.9963 297.1414 -161697.6132 -109629.6693 298.1902 120.3834 151.9991 760323.8948 -9.9019 -9.7449 PRESSURE: 4310000 -100.341 -159.091 159.818 -159.09 -222.84 -156.45 159.818 -156.45 -21.165 GPRESSURE: 4310000 -91.114 -21.0717 153.49 -274.654 -165.419 -116.039 66.1691 -213.781 -14.9969 PRESSAVG: 4310000 3.6969 14.586 12.5347 14.586 7.21353 -14.2935 12.5347 -14.2935 24.3176 GPRESSAVG: 4310000 3.89898 12.8983 11.1165 14.4941 8.92754 -15.2629 11.0693 -13.392 22.8629 TIMING: 4310000 CPU: 13937.6, 0.00317064/step Wall: 13937.6, 0.00317064/step, 0.607706 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4310000 3911.5170 20626.8043 14429.9960 249.0931 -203534.8435 2426.8135 0.0000 0.0000 51908.0347 -109982.5848 298.3162 -161890.6195 -109632.3787 298.0555 -114.7820 -90.5100 760195.2038 11.7427 11.8965 PRESSURE: 4310200 81.1101 54.0492 -164.945 54.0482 -201.754 161.225 -164.946 161.225 -183.442 GPRESSURE: 4310200 61.3409 -56.8021 -104.231 -19.1585 -135.502 265.451 -130.781 129.514 -140.833 PRESSAVG: 4310200 61.694 41.6663 8.52465 41.6663 -9.00761 -6.35772 8.52463 -6.35767 -22.9284 GPRESSAVG: 4310200 61.9432 41.6719 9.13038 40.9072 -10.8267 -4.67059 10.3907 -8.50187 -21.5289 TIMING: 4310200 CPU: 13938.3, 0.00318073/step Wall: 13938.3, 0.00318073/step, 0.609463 hours remaining, 234.882812 MB of memory in use. ENERGY: 4310200 3994.8322 20479.6731 14415.1923 231.5376 -203550.6855 2630.8202 0.0000 0.0000 51671.0777 -110127.5524 296.9544 -161798.6301 -109771.9071 297.9206 -101.3620 -71.6644 760883.5382 9.9193 9.8625 PRESSURE: 4310400 -289.539 -53.7246 0.68676 -53.725 -187.756 167.653 0.687182 167.654 222.478 GPRESSURE: 4310400 -226.47 -14.2355 54.4531 -28.1172 -78.5463 190.156 -163.702 108.146 133.034 PRESSAVG: 4310400 -21.2129 0.800664 -25.9195 0.800677 -15.0945 4.39383 -25.9196 4.39391 -31.5691 GPRESSAVG: 4310400 -22.1063 2.12121 -26.9496 1.56995 -13.2141 4.07752 -25.9747 5.53658 -33.1569 TIMING: 4310400 CPU: 13938.9, 0.00315765/step Wall: 13938.9, 0.00315765/step, 0.604865 hours remaining, 234.882812 MB of memory in use. ENERGY: 4310400 4018.5632 20320.8412 14407.1098 229.5167 -203384.5379 2267.6279 0.0000 0.0000 51982.2981 -110158.5810 298.7430 -162140.8791 -109784.7196 297.7849 -84.9389 -57.3275 760432.7752 -22.6255 -22.8257 PRESSURE: 4310600 -115.398 56.8343 116.217 56.8344 62.4662 -186.091 116.219 -186.09 -198.294 GPRESSURE: 4310600 -3.78824 12.7002 83.1648 -16.752 47.7635 -166.339 137.964 -103.853 -194.544 PRESSAVG: 4310600 -41.406 -9.11603 17.9157 -9.11603 78.9998 -9.82201 17.9158 -9.82207 0.435165 GPRESSAVG: 4310600 -40.9311 -10.1036 18.0352 -9.66104 78.1453 -9.3652 15.9862 -8.90891 1.46706 TIMING: 4310600 CPU: 13939.5, 0.00315062/step Wall: 13939.5, 0.00315062/step, 0.603343 hours remaining, 234.882812 MB of memory in use. ENERGY: 4310600 4005.6708 20313.5897 14466.3428 241.6677 -203384.8608 2438.8468 0.0000 0.0000 51705.3435 -110213.3994 297.1513 -161918.7429 -109856.2657 297.5734 -83.7418 -50.1894 760448.3722 12.6763 12.8937 PRESSURE: 4310800 -91.8291 -42.4639 25.6355 -42.4639 266.36 -257.497 25.6361 -257.499 -66.8118 GPRESSURE: 4310800 13.5168 72.4671 14.8716 -89.7754 262.188 -124.26 4.14699 -315.067 -84.4362 PRESSAVG: 4310800 -29.727 3.93382 -16.6492 3.93384 24.5924 -4.92922 -16.6492 -4.9293 8.10179 GPRESSAVG: 4310800 -30.9677 3.97339 -17.4968 3.26575 25.7847 -5.73675 -14.1185 -6.24897 7.81675 TIMING: 4310800 CPU: 13940.2, 0.00315571/step Wall: 13940.2, 0.00315571/step, 0.604143 hours remaining, 234.882812 MB of memory in use. ENERGY: 4310800 3998.0193 20416.2018 14455.9743 249.5328 -203438.1533 2390.9030 0.0000 0.0000 51853.1197 -110074.4025 298.0006 -161927.5221 -109707.9344 298.3194 35.9064 63.7563 758813.5717 0.9891 0.8779 PRESSURE: 4311000 222.434 -129.004 -35.259 -129.004 145.71 -20.9314 -35.2587 -20.9311 17.1939 GPRESSURE: 4311000 250.66 -97.1796 -40.1114 -243.494 178.445 5.63725 -35.6545 111.76 45.0778 PRESSAVG: 4311000 -27.9457 -10.0091 -6.09161 -10.0092 42.142 -33.6965 -6.09158 -33.6966 6.38464 GPRESSAVG: 4311000 -26.4756 -8.97488 -4.74144 -8.40582 41.6938 -33.5544 -8.06965 -33.1487 5.69962 TIMING: 4311000 CPU: 13940.8, 0.0031543/step Wall: 13940.8, 0.0031543/step, 0.603697 hours remaining, 234.882812 MB of memory in use. ENERGY: 4311000 3999.7370 20241.9103 14428.8334 235.4170 -203473.8444 2635.2005 0.0000 0.0000 52002.1761 -109930.5701 298.8572 -161932.7462 -109570.8745 298.2859 128.4461 158.0607 758378.9331 6.8603 6.9726 PRESSURE: 4311200 7.31207 -4.41324 -50.4834 -4.41401 116.689 -181.418 -50.4834 -181.418 -110.186 GPRESSURE: 4311200 -1.67997 58.3367 -105.598 6.38702 143.895 -186.115 -64.9109 -85.2639 -51.3612 PRESSAVG: 4311200 -6.93024 -28.3944 0.966843 -28.3943 -21.5463 -29.0628 0.966826 -29.0629 -6.21574 GPRESSAVG: 4311200 -6.92232 -30.4128 -0.532698 -28.851 -21.6029 -28.0294 2.06543 -26.8893 -6.01778 TIMING: 4311200 CPU: 13941.4, 0.00313216/step Wall: 13941.4, 0.00313216/step, 0.599286 hours remaining, 234.882812 MB of memory in use. ENERGY: 4311200 4066.1788 20556.5799 14389.4196 247.1692 -203128.3098 2355.5198 0.0000 0.0000 51766.9245 -109746.5179 297.5052 -161513.4424 -109396.6569 298.7056 4.6050 30.2847 760131.8566 -11.5641 -11.5143 PRESSURE: 4311400 -45.2181 94.9177 97.5135 94.9182 -242.026 44.3321 97.5144 44.3329 175.689 GPRESSURE: 4311400 3.08321 146.481 7.07441 226.685 -104.775 6.54237 82.3952 31.3485 85.1608 PRESSAVG: 4311400 35.5264 -8.59735 50.3352 -8.59732 -22.5588 11.2579 50.3352 11.2579 -9.35173 GPRESSAVG: 4311400 36.0606 -6.86056 50.4641 -8.11175 -23.1816 10.0078 49.0261 9.50886 -9.56614 TIMING: 4311400 CPU: 13942.1, 0.00314234/step Wall: 13942.1, 0.00314234/step, 0.601059 hours remaining, 234.882812 MB of memory in use. ENERGY: 4311400 3984.9155 20533.7392 14498.7834 238.4187 -203359.0695 2577.3585 0.0000 0.0000 51942.9521 -109582.9021 298.5169 -161525.8542 -109223.4386 299.2597 -37.1852 -5.5104 760366.5241 1.2053 1.1043 PRESSURE: 4311600 -203.823 -7.73602 -222.364 -7.73625 -153.447 58.5059 -222.364 58.5052 -232.195 GPRESSURE: 4311600 -190.227 71.8891 -160.486 14.8651 -128.233 60.3286 -154.139 6.48552 -183.249 PRESSAVG: 4311600 30.2976 -28.5584 25.2599 -28.5584 -30.0296 17.4972 25.2599 17.4972 2.39206 GPRESSAVG: 4311600 29.3993 -29.1419 25.7432 -27.4735 -30.911 17.7715 27.3455 16.1599 4.16135 TIMING: 4311600 CPU: 13942.7, 0.0031375/step Wall: 13942.7, 0.0031375/step, 0.599959 hours remaining, 234.882812 MB of memory in use. ENERGY: 4311600 3985.3793 20440.5378 14494.0533 229.1751 -202993.7305 2266.7402 0.0000 0.0000 52172.0767 -109405.7682 299.8336 -161577.8449 -109040.8071 299.1621 -196.4886 -167.2364 761315.9405 0.8867 0.8832 PRESSURE: 4311800 81.6663 78.1421 -201.345 78.1436 100.362 39.5008 -201.345 39.5007 160.124 GPRESSURE: 4311800 209.48 130.261 -196.12 221.974 36.4605 172.912 -17.3367 72.5927 178.286 PRESSAVG: 4311800 45.8572 -45.7564 -25.706 -45.7565 -44.0413 -49.7959 -25.706 -49.7959 17.6904 GPRESSAVG: 4311800 47.0507 -45.3093 -26.722 -46.4549 -44.8801 -50.7551 -25.9353 -50.2682 17.4579 TIMING: 4311800 CPU: 13943.3, 0.0031491/step Wall: 13943.3, 0.0031491/step, 0.602002 hours remaining, 234.882812 MB of memory in use. ENERGY: 4311800 3991.3830 20385.6706 14441.8950 252.7474 -202988.7627 2313.9449 0.0000 0.0000 52157.6183 -109445.5035 299.7505 -161603.1218 -109081.1732 299.8766 114.0508 141.4087 760562.6925 6.5021 6.5428 PRESSURE: 4312000 -83.0764 75.6668 58.7361 75.6663 -48.2479 -279.192 58.7358 -279.193 213.624 GPRESSURE: 4312000 -76.0327 -25.9279 139.535 111.666 -55.184 -271.729 175.766 -174.759 295.767 PRESSAVG: 4312000 39.2789 -10.251 -33.1089 -10.2509 -24.6256 -19.9147 -33.1089 -19.9147 -25.9046 GPRESSAVG: 4312000 38.2114 -8.56595 -31.7537 -11.5317 -23.2942 -20.4825 -32.5014 -18.6415 -26.2748 TIMING: 4312000 CPU: 13943.9, 0.00315687/step Wall: 13943.9, 0.00315687/step, 0.603313 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4312000 4014.2868 20416.1377 14476.2795 228.4670 -203425.0431 2383.3315 0.0000 0.0000 52427.8839 -109478.6566 301.3038 -161906.5405 -109119.2317 299.7931 27.4331 54.8502 759951.1916 -3.7504 -3.7858 PRESSURE: 4312200 35.0274 -63.6941 220.66 -63.6935 -40.7728 151.437 220.661 151.436 -189.041 GPRESSURE: 4312200 46.0785 -64.6999 249.598 -93.2259 45.794 232.094 154.114 148.979 -183.338 PRESSAVG: 4312200 16.7145 -15.9791 21.797 -15.9791 -2.83518 -34.9977 21.7969 -34.9977 10.7208 GPRESSAVG: 4312200 16.1809 -16.589 22.3979 -14.9795 -2.98597 -33.2294 20.5729 -32.7136 11.7476 TIMING: 4312200 CPU: 13944.6, 0.00314396/step Wall: 13944.6, 0.00314396/step, 0.600671 hours remaining, 234.882812 MB of memory in use. ENERGY: 4312200 3920.5229 20537.6484 14430.2674 250.6261 -203534.5629 2573.4433 0.0000 0.0000 52261.8108 -109560.2440 300.3493 -161822.0549 -109190.9936 299.3393 -64.9287 -30.4885 761010.4301 8.2001 8.3142 LDB: ============= START OF LOAD BALANCING ============== 13957 LDB: ============== END OF LOAD BALANCING =============== 13957 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13957 LDB: ============= START OF LOAD BALANCING ============== 13957.3 LDB: Largest compute 7049 load 0.033748 is 17.3% of average load 0.195547 LDB: Average compute 0.004368 is 2.2% of average load 0.195547 LDB: TIME 13957.3 LOAD: AVG 0.195547 MAX 0.211547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.402 MB LDB: TIME 13957.3 LOAD: AVG 0.195547 MAX 0.211547 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: TIME 13957.3 LOAD: AVG 0.195547 MAX 0.211547 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.406 MB LDB: ============== END OF LOAD BALANCING =============== 13957.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13957.3 PRESSURE: 4312400 11.5858 239.572 -9.19346 239.572 -348.188 149.14 -9.1936 149.139 -313.916 GPRESSURE: 4312400 23.0992 195.191 -46.677 219.78 -317.345 132.298 2.68248 93.363 -256.679 PRESSAVG: 4312400 -0.947795 -39.924 -14.0429 -39.9241 -22.6958 -1.32183 -14.043 -1.32186 0.212072 GPRESSAVG: 4312400 -1.73216 -40.3604 -13.8577 -38.2559 -21.6278 -3.11029 -15.4965 -2.87614 0.281181 TIMING: 4312400 CPU: 13945.2, 0.00322469/step Wall: 13945.2, 0.00322469/step, 0.615916 hours remaining, 234.937500 MB of memory in use. ENERGY: 4312400 3978.1825 20361.3758 14372.1017 229.9265 -203340.4672 2572.3207 0.0000 0.0000 52124.9966 -109701.5634 299.5631 -161826.5600 -109341.2543 299.0564 -216.8394 -183.6416 761853.8624 -7.8105 -7.6929 PRESSURE: 4312600 -73.404 -51.3194 -203.715 -51.3194 -28.5744 -163.451 -203.716 -163.45 255.391 GPRESSURE: 4312600 0.0780933 -236.489 -214.077 -59.252 -10.7102 -112.975 -47.2787 -197.024 270.27 PRESSAVG: 4312600 -48.3996 1.43225 -32.1404 1.43228 15.6824 54.4458 -32.1405 54.4458 -2.34756 GPRESSAVG: 4312600 -48.0876 1.59854 -32.5432 -2.10607 16.5366 55.3789 -29.4714 56.3041 -3.88421 TIMING: 4312600 CPU: 13945.8, 0.00314263/step Wall: 13945.8, 0.00314263/step, 0.600068 hours remaining, 235.195312 MB of memory in use. ENERGY: 4312600 3949.7174 20239.0175 14508.6115 253.3097 -203342.6841 2490.1019 0.0000 0.0000 52146.9646 -109754.9616 299.6893 -161901.9262 -109385.9651 298.7732 51.1376 86.5460 760214.2285 -11.6883 -11.8118 PRESSURE: 4312800 252.799 8.98844 -51.1619 8.98852 200.899 262.372 -51.1631 262.371 -203.663 GPRESSURE: 4312800 158.083 54.941 46.4253 103.892 292.763 243.98 -208.555 107.357 -107.589 PRESSAVG: 4312800 49.9334 -8.68984 -56.007 -8.68976 6.38617 16.6703 -56.007 16.6704 2.47062 GPRESSAVG: 4312800 49.7091 -11.0451 -55.2761 -5.50625 4.74491 17.7244 -59.0898 14.823 4.21804 TIMING: 4312800 CPU: 13946.5, 0.0031376/step Wall: 13946.5, 0.0031376/step, 0.598933 hours remaining, 235.195312 MB of memory in use. ENERGY: 4312800 3962.8158 20442.3077 14451.3159 238.5013 -203426.1615 2579.7624 0.0000 0.0000 51929.9900 -109821.4684 298.4424 -161751.4584 -109470.8310 298.3313 83.3450 114.4192 761531.0211 19.5967 19.5573 PRESSURE: 4313000 116.351 66.8456 5.9812 66.8462 232.861 7.64608 5.98228 7.64665 204.649 GPRESSURE: 4313000 141.405 -68.0264 44.302 108.948 331.787 26.8063 -14.7225 -12.1649 160.793 PRESSAVG: 4313000 -19.167 22.9346 -55.7713 22.9346 2.06148 -19.1999 -55.7713 -19.1999 -3.37639 GPRESSAVG: 4313000 -19.3251 23.4867 -57.5939 23.2714 3.37112 -19.4986 -54.8969 -17.4254 -4.59031 TIMING: 4313000 CPU: 13947.1, 0.00314587/step Wall: 13947.1, 0.00314587/step, 0.600338 hours remaining, 235.195312 MB of memory in use. ENERGY: 4313000 3987.0924 20472.0583 14465.7550 252.5830 -203882.3532 2759.0616 0.0000 0.0000 52155.9857 -109789.8171 299.7412 -161945.8028 -109438.2762 298.9825 184.6205 211.3286 759620.2641 -6.8273 -6.8481 PRESSURE: 4313200 -264.838 -75.6095 -102.258 -75.6092 25.9765 -7.62065 -102.257 -7.62162 103.302 GPRESSURE: 4313200 -204.807 -72.0303 -237.557 -107.02 36.4976 -114.128 57.3665 12.4387 131.073 PRESSAVG: 4313200 10.2511 3.03353 -0.241199 3.03349 4.59177 -52.6654 -0.241119 -52.6655 -7.59265 GPRESSAVG: 4313200 10.8509 4.20504 1.39448 0.65378 4.48402 -54.3947 -1.36888 -54.0347 -7.42248 TIMING: 4313200 CPU: 13947.7, 0.00315988/step Wall: 13947.7, 0.00315988/step, 0.602835 hours remaining, 235.195312 MB of memory in use. ENERGY: 4313200 3972.0712 20520.3382 14446.8380 248.0156 -203583.2061 2692.6759 0.0000 0.0000 52030.5378 -109672.7295 299.0202 -161703.2672 -109316.9372 299.3363 -45.1864 -12.4124 760202.3538 2.4167 2.6375 PRESSURE: 4313400 -107.844 -75.259 197.368 -75.2602 313.256 -243.642 197.368 -243.643 -292.062 GPRESSURE: 4313400 45.6324 -66.293 231.189 -90.2427 191.458 -262.386 25.8684 -122.395 -241.802 PRESSAVG: 4313400 -11.7993 -15.1818 -12.1442 -15.1818 45.2357 -7.18809 -12.1442 -7.18809 27.6851 GPRESSAVG: 4313400 -10.6687 -16.0114 -12.7537 -13.8846 44.3398 -7.08752 -9.04013 -6.61484 27.8783 TIMING: 4313400 CPU: 13948.4, 0.00315214/step Wall: 13948.4, 0.00315214/step, 0.601183 hours remaining, 235.195312 MB of memory in use. ENERGY: 4313400 3964.3136 20511.6083 14538.6097 254.5880 -203405.8793 2381.9361 0.0000 0.0000 51971.5016 -109783.3220 298.6809 -161754.8236 -109423.7181 299.1926 -28.8834 -1.5704 760514.1232 20.3739 20.5165 PRESSURE: 4313600 374.138 111.188 -63.8315 111.188 -356.127 -23.7363 -63.832 -23.7364 34.7998 GPRESSURE: 4313600 302.352 82.9961 13.2041 129.361 -289.486 -54.1403 -9.1799 -82.272 144.719 PRESSAVG: 4313600 -0.496358 -22.9721 -6.64984 -22.9721 64.7153 3.31831 -6.64975 3.3183 7.42858 GPRESSAVG: 4313600 -0.447355 -21.7964 -7.50026 -22.0557 63.8897 3.76167 -7.30164 2.23832 7.45755 TIMING: 4313600 CPU: 13949, 0.00314065/step Wall: 13949, 0.00314065/step, 0.598816 hours remaining, 235.195312 MB of memory in use. ENERGY: 4313600 3999.7914 20602.4577 14476.8217 252.7783 -203277.3217 2309.6068 0.0000 0.0000 51985.1308 -109650.7349 298.7593 -161635.8658 -109293.0390 299.0622 17.6037 52.5284 760520.1206 23.8825 23.6333 PRESSURE: 4313800 -126.012 91.1173 -33.9317 91.1184 -350.013 10.769 -33.9316 10.7687 -243.317 GPRESSURE: 4313800 -100.131 81.8397 -18.3437 123.47 -286.147 -14.2501 34.9495 16.8179 -245.687 PRESSAVG: 4313800 53.4168 11.3693 -16.0178 11.3693 -48.9568 16.3486 -16.0178 16.3486 -13.2704 GPRESSAVG: 4313800 53.1861 9.36201 -14.6998 10.3558 -47.0825 15.2278 -18.4019 17.7269 -14.1635 TIMING: 4313800 CPU: 13949.6, 0.00315106/step Wall: 13949.6, 0.00315106/step, 0.600627 hours remaining, 235.195312 MB of memory in use. ENERGY: 4313800 4021.4753 20414.6436 14486.7390 244.7736 -203566.5809 2524.3385 0.0000 0.0000 52235.7679 -109638.8430 300.1997 -161874.6109 -109272.3176 299.5964 -239.7807 -210.6552 760619.9329 -2.9368 -2.6866 PRESSURE: 4314000 -61.7215 -120.559 63.3993 -120.559 142.423 -17.956 63.3995 -17.9559 -14.7806 GPRESSURE: 4314000 -13.981 -37.56 42.2995 -192.311 172.983 8.77821 23.8538 28.5517 -1.80899 PRESSAVG: 4314000 32.897 -32.7528 -5.54396 -32.7528 7.76578 49.7514 -5.54397 49.7514 6.98941 GPRESSAVG: 4314000 33.6059 -31.5255 -3.79136 -32.7236 6.39958 51.7621 -4.29412 48.6068 7.59467 TIMING: 4314000 CPU: 13950.3, 0.0031502/step Wall: 13950.3, 0.0031502/step, 0.600287 hours remaining, 235.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4314000 4044.9965 20522.6595 14460.8014 269.3966 -203447.5203 2321.8945 0.0000 0.0000 52375.7066 -109452.0652 301.0039 -161827.7718 -109078.2200 299.8705 21.9736 52.3977 759570.4751 15.8841 15.8667 PRESSURE: 4314200 -71.0848 -17.2275 -267.11 -17.2285 206.294 1.42142 -267.11 1.42206 27.985 GPRESSURE: 4314200 -25.6627 3.30331 -320.147 -89.5854 188.311 24.8253 -101.991 25.242 100.76 PRESSAVG: 4314200 10.2238 -44.077 -20.5446 -44.077 24.697 11.7456 -20.5446 11.7457 11.2831 GPRESSAVG: 4314200 10.5299 -43.9137 -22.1281 -43.1877 25.0623 10.3022 -21.028 12.8662 10.0299 TIMING: 4314200 CPU: 13950.9, 0.00315602/step Wall: 13950.9, 0.00315602/step, 0.601221 hours remaining, 235.195312 MB of memory in use. ENERGY: 4314200 4080.7503 20633.3462 14480.3372 248.5045 -203568.9594 2688.1228 0.0000 0.0000 52066.8625 -109371.0360 299.2290 -161437.8985 -109001.2085 300.0842 54.3982 87.8028 759710.2233 15.4013 15.2074 PRESSURE: 4314400 129.736 -205.963 -59.9945 -205.964 114.967 -144.628 -59.9947 -144.628 -544.566 GPRESSURE: 4314400 88.652 -71.9402 -10.0557 -117.951 183.035 -43.6081 -168.593 -52.0708 -488.789 PRESSAVG: 4314400 -8.16861 -4.21251 -79.3108 -4.21247 -53.8026 5.1109 -79.3108 5.11079 -16.6048 GPRESSAVG: 4314400 -9.5023 -2.73864 -79.4092 -4.28024 -53.9052 5.31579 -78.9448 4.768 -14.966 TIMING: 4314400 CPU: 13951.5, 0.00315974/step Wall: 13951.5, 0.00315974/step, 0.601755 hours remaining, 235.195312 MB of memory in use. ENERGY: 4314400 4044.0314 20547.5155 14413.5990 275.6771 -203154.9646 2350.9278 0.0000 0.0000 52074.9874 -109448.2263 299.2757 -161523.2138 -109083.3736 299.6525 -99.9543 -72.3671 761722.4487 -26.1920 -26.1245 PRESSURE: 4314600 72.6801 49.6082 -64.2693 49.6074 54.3611 -148.484 -64.2692 -148.484 20.485 GPRESSURE: 4314600 177.568 28.8914 -24.0229 -76.6523 87.0708 -152.589 -248.446 -260.088 -44.3526 PRESSAVG: 4314600 -2.8618 -0.638781 -49.3679 -0.638815 -21.8671 -40.8905 -49.3679 -40.8903 -25.0844 GPRESSAVG: 4314600 -2.82242 -2.46977 -50.2207 -1.05356 -20.5703 -41.5043 -49.2493 -40.3954 -26.6599 TIMING: 4314600 CPU: 13952.1, 0.00314462/step Wall: 13952.1, 0.00314462/step, 0.598702 hours remaining, 235.195312 MB of memory in use. ENERGY: 4314600 3884.4528 20583.8044 14424.4161 267.0158 -203352.9665 2525.7961 0.0000 0.0000 52273.4093 -109394.0720 300.4160 -161667.4813 -109027.4545 299.9395 49.1754 73.4286 760248.4492 -16.6045 -16.6842 PRESSURE: 4314800 -156.728 -110.739 -161.333 -110.739 275.654 170.516 -161.333 170.516 415.37 GPRESSURE: 4314800 -124.878 -34.8644 -304.937 -219.472 322.171 145.826 -68.1692 166.125 423.612 PRESSAVG: 4314800 3.96526 -27.0431 -39.7971 -27.0431 30.3954 -13.1749 -39.7971 -13.1749 24.4186 GPRESSAVG: 4314800 4.16939 -27.1163 -39.6222 -25.1134 29.7477 -12.4727 -40.5677 -14.917 25.3921 TIMING: 4314800 CPU: 13952.8, 0.00316936/step Wall: 13952.8, 0.00316936/step, 0.603234 hours remaining, 235.195312 MB of memory in use. ENERGY: 4314800 4003.2092 20467.4176 14478.8813 252.1792 -203527.9361 2634.3132 0.0000 0.0000 52240.1126 -109451.8230 300.2246 -161691.9356 -109084.9970 299.8964 178.0984 206.9684 758863.1583 19.5931 19.7698 PRESSURE: 4315000 -248.48 266.371 73.527 266.37 155.003 -162.171 73.5273 -162.172 -67.9585 GPRESSURE: 4315000 -79.9162 125.7 67.3649 259.392 160.596 -214.393 235.905 -110.488 -154.867 PRESSAVG: 4315000 10.6897 -48.2347 8.48169 -48.2348 4.78124 -4.45072 8.48165 -4.45073 4.81321 GPRESSAVG: 4315000 12.2943 -46.5393 8.35257 -49.2288 4.81268 -3.89273 6.75993 -2.73597 3.40037 TIMING: 4315000 CPU: 13953.4, 0.00320238/step Wall: 13953.4, 0.00320238/step, 0.609342 hours remaining, 235.195312 MB of memory in use. ENERGY: 4315000 3976.9287 20440.7597 14429.3024 231.8653 -203046.1501 2394.0041 0.0000 0.0000 52227.5556 -109345.7342 300.1525 -161573.2898 -108978.0546 299.8572 -53.8120 -24.7290 761160.4312 6.7614 6.8358 PRESSURE: 4315200 -118.033 -37.9494 149.502 -37.9496 44.1712 179.682 149.502 179.682 -66.6918 GPRESSURE: 4315200 -110.472 -18.6006 109.872 -90.1637 74.4693 114.403 26.9987 166.646 -15.1592 PRESSAVG: 4315200 68.8913 -13.6214 -14.4539 -13.6214 14.3828 14.4686 -14.4539 14.4686 0.444529 GPRESSAVG: 4315200 68.3051 -14.6581 -14.5078 -14.0327 13.357 14.9594 -13.5136 13.7333 2.2956 TIMING: 4315200 CPU: 13954.1, 0.00317277/step Wall: 13954.1, 0.00317277/step, 0.603532 hours remaining, 235.195312 MB of memory in use. ENERGY: 4315200 3989.0122 20675.9663 14395.8455 232.0178 -203356.1088 2748.5385 0.0000 0.0000 52254.9464 -109059.7821 300.3099 -161314.7285 -108695.5460 300.5461 -46.8512 -17.0538 763410.8325 27.9062 27.9859 PRESSURE: 4315400 85.9774 59.6486 -47.2316 59.6501 75.5415 -118.531 -47.2321 -118.53 62.9002 GPRESSURE: 4315400 124.546 137.303 -39.9699 121.83 186.535 -98.1341 10.6005 -109.211 -23.4294 PRESSAVG: 4315400 34.0222 -11.1146 -8.83265 -11.1146 -47.3791 -17.2345 -8.83267 -17.2344 18.4003 GPRESSAVG: 4315400 33.5052 -11.299 -8.92519 -10.7675 -47.0911 -15.7688 -7.96297 -17.2606 18.423 TIMING: 4315400 CPU: 13954.7, 0.00317319/step Wall: 13954.7, 0.00317319/step, 0.603434 hours remaining, 235.195312 MB of memory in use. ENERGY: 4315400 4025.2436 20604.9366 14460.0094 258.4243 -203342.6170 2575.9925 0.0000 0.0000 52261.0784 -109156.9322 300.3451 -161418.0106 -108803.9097 300.1064 74.8064 95.8841 761212.6927 1.6811 1.6124 PRESSURE: 4315600 -3.35535 -104.422 180.3 -104.423 -259.334 -116.256 180.301 -116.256 9.75771 GPRESSURE: 4315600 56.4512 -108.273 185.399 -61.0783 -266.819 -145.566 145.087 -173.626 20.2391 PRESSAVG: 4315600 19.638 -15.963 6.78639 -15.9629 -34.684 -35.0323 6.78652 -35.0324 -13.6368 GPRESSAVG: 4315600 19.0668 -15.3919 6.70403 -14.7725 -33.356 -35.8179 6.24969 -35.9176 -14.7972 TIMING: 4315600 CPU: 13955.3, 0.00317216/step Wall: 13955.3, 0.00317216/step, 0.603063 hours remaining, 235.195312 MB of memory in use. ENERGY: 4315600 4048.6042 20621.0927 14418.0236 226.3134 -202980.3911 2514.0055 0.0000 0.0000 51986.8570 -109165.4948 298.7692 -161152.3517 -108809.2631 300.1926 -84.3104 -63.3762 764113.6767 -9.5609 -9.6955 PRESSURE: 4315800 -77.8768 -97.892 149.377 -97.8924 114.439 215.512 149.377 215.511 47.9522 GPRESSURE: 4315800 -55.9984 -249.121 151.495 -85.8838 94.2354 241.372 65.7789 196.038 107.289 PRESSAVG: 4315800 -21.636 -13.6998 -19.3017 -13.6998 39.9381 -13.6227 -19.3017 -13.6227 12.4732 GPRESSAVG: 4315800 -21.3072 -13.6634 -17.6885 -14.669 39.219 -15.0077 -19.2379 -11.5954 12.6614 TIMING: 4315800 CPU: 13956, 0.00314111/step Wall: 13956, 0.00314111/step, 0.596985 hours remaining, 235.195312 MB of memory in use. ENERGY: 4315800 4034.9131 20575.8008 14496.4546 245.9059 -203191.3475 2526.2291 0.0000 0.0000 52010.5734 -109301.4707 298.9055 -161312.0441 -108933.1766 299.5369 28.1716 48.5085 762737.5993 10.2584 10.1911 PRESSURE: 4316000 -349.795 172.833 196.264 172.833 -135.508 98.6879 196.264 98.6884 -173.721 GPRESSURE: 4316000 -221.113 151.938 244.279 105.458 -234.24 80.2728 235.352 41.7122 -123.947 PRESSAVG: 4316000 -37.3868 14.2277 1.54191 14.2278 -8.83728 -4.09766 1.54188 -4.09765 1.24648 GPRESSAVG: 4316000 -35.7952 14.1134 0.23639 15.0672 -10.3133 -4.52346 2.20899 -3.29966 1.43335 TIMING: 4316000 CPU: 13956.6, 0.00315084/step Wall: 13956.6, 0.00315084/step, 0.598659 hours remaining, 235.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4316000 3978.4003 20636.5085 14412.5874 238.1530 -203075.8277 2442.5251 0.0000 0.0000 52032.2995 -109335.3539 299.0303 -161367.6534 -108962.6158 299.6608 -219.6747 -193.1002 763858.0804 -14.9925 -14.8917 PRESSURE: 4316200 40.1971 132.568 -145.226 132.567 208.05 -253.441 -145.226 -253.439 -183.128 GPRESSURE: 4316200 32.6506 154.098 -142.288 98.6605 263.716 -213.941 -248.61 -286.304 -153.071 PRESSAVG: 4316200 -8.64464 -1.60252 13.1333 -1.60249 7.31731 -0.206939 13.1333 -0.206983 -2.71209 GPRESSAVG: 4316200 -10.124 -3.05601 13.5844 -3.13281 9.13962 0.64797 12.9443 -2.28268 -3.08765 TIMING: 4316200 CPU: 13957.2, 0.00320769/step Wall: 13957.2, 0.00320769/step, 0.609283 hours remaining, 235.195312 MB of memory in use. ENERGY: 4316200 3977.2922 20476.9265 14513.0354 242.2655 -203367.4090 2516.9160 0.0000 0.0000 52260.1995 -109380.7740 300.3401 -161640.9735 -108997.6936 299.7172 21.7065 47.7652 761850.4974 -1.3465 -1.3574 LDB: ============= START OF LOAD BALANCING ============== 13969.7 LDB: ============== END OF LOAD BALANCING =============== 13969.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13969.7 LDB: ============= START OF LOAD BALANCING ============== 13970 LDB: Largest compute 7049 load 0.033078 is 16.9% of average load 0.195585 LDB: Average compute 0.004395 is 2.2% of average load 0.195585 LDB: TIME 13970 LOAD: AVG 0.195585 MAX 0.213961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.926 MB LDB: TIME 13970 LOAD: AVG 0.195585 MAX 0.213961 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.996 MB LDB: TIME 13970 LOAD: AVG 0.195585 MAX 0.213961 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.996 MB LDB: ============== END OF LOAD BALANCING =============== 13970 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13970 PRESSURE: 4316400 -27.008 -143.834 -15.9801 -143.834 100.476 -100.12 -15.9795 -100.12 63.236 GPRESSURE: 4316400 -24.4447 -159.802 30.7008 -142.657 96.647 -27.7211 85.3176 -275.544 160.193 PRESSAVG: 4316400 13.0372 -26.0439 13.2301 -26.0439 42.6846 2.0308 13.2301 2.03078 30.7079 GPRESSAVG: 4316400 12.4055 -25.8995 12.4288 -23.7003 41.867 2.37893 12.9398 2.21583 31.9053 TIMING: 4316400 CPU: 13957.9, 0.00325309/step Wall: 13957.9, 0.00325309/step, 0.617725 hours remaining, 234.414062 MB of memory in use. ENERGY: 4316400 3931.3268 20559.6474 14458.7741 251.9173 -203073.0518 2314.1310 0.0000 0.0000 52084.3198 -109472.9353 299.3293 -161557.2551 -109100.8794 299.9118 45.5679 77.4652 762343.7697 28.8099 28.7259 PRESSURE: 4316600 1.58295 -8.10686 -171.103 -8.10717 -35.8947 2.71811 -171.103 2.71972 172.175 GPRESSURE: 4316600 -40.8208 98.8843 -88.1129 8.84273 91.1519 -67.163 -129.003 -13.2484 169.125 PRESSAVG: 4316600 -17.2617 37.3997 -60.153 37.3998 36.0461 -30.0268 -60.153 -30.0267 3.40807 GPRESSAVG: 4316600 -17.2321 37.9546 -60.0896 36.5456 36.4315 -29.8539 -59.9923 -28.6921 2.75447 TIMING: 4316600 CPU: 13958.5, 0.00320685/step Wall: 13958.5, 0.00320685/step, 0.608767 hours remaining, 234.824219 MB of memory in use. ENERGY: 4316600 3895.7033 20513.8568 14454.2286 248.8935 -203300.7265 2497.5891 0.0000 0.0000 52116.2154 -109574.2398 299.5126 -161690.4552 -109214.5980 299.6387 45.9545 73.1519 761628.0515 7.3975 7.3179 PRESSURE: 4316800 10.4531 -171.383 -100.383 -171.383 254.659 -115.664 -100.383 -115.664 28.5207 GPRESSURE: 4316800 154.589 -234.602 67.8543 -293.55 175.143 -100.725 -167.889 -152.416 51.2062 PRESSAVG: 4316800 -66.8502 -14.8011 -8.89237 -14.8011 36.4066 -40.0055 -8.89241 -40.0054 -9.83813 GPRESSAVG: 4316800 -65.9618 -14.6173 -9.11942 -15.6003 35.5986 -39.0736 -9.51547 -42.5835 -10.2077 TIMING: 4316800 CPU: 13959.2, 0.00319697/step Wall: 13959.2, 0.00319697/step, 0.606713 hours remaining, 234.824219 MB of memory in use. ENERGY: 4316800 4009.5676 20606.0218 14422.7946 230.4556 -203242.8722 2591.1504 0.0000 0.0000 51763.9820 -109618.9001 297.4883 -161382.8821 -109265.8991 299.1356 97.8776 126.9796 762309.1390 -13.4273 -13.5236 PRESSURE: 4317000 -376.373 33.1711 -199.164 33.1698 -96.5556 -486.778 -199.164 -486.777 -412.883 GPRESSURE: 4317000 -358.155 8.7998 -112.074 5.73692 -20.972 -445.511 -149.557 -423.86 -417.76 PRESSAVG: 4317000 -47.2889 7.3296 -7.71944 7.32952 10.9033 -29.4772 -7.71943 -29.4773 0.275473 GPRESSAVG: 4317000 -47.6995 7.86582 -6.27036 7.88238 10.3193 -30.8354 -9.80859 -28.8888 1.44056 TIMING: 4317000 CPU: 13959.8, 0.00318576/step Wall: 13959.8, 0.00318576/step, 0.604409 hours remaining, 234.824219 MB of memory in use. ENERGY: 4317000 3982.2791 20483.0768 14494.8131 247.7157 -203117.1073 2195.5115 0.0000 0.0000 52118.9145 -109594.7966 299.5281 -161713.7111 -109233.7636 298.9238 -295.2705 -265.6289 761299.6452 -12.0367 -11.9799 PRESSURE: 4317200 -319.856 -58.369 -139.394 -58.3677 38.9969 140.263 -139.394 140.263 -587.147 GPRESSURE: 4317200 -299.667 -139.252 -153.09 111.736 55.9461 178.209 -156.305 137.28 -529.542 PRESSAVG: 4317200 -45.9365 -10.7755 -48.8098 -10.7756 38.0406 33.2741 -48.8098 33.2741 -15.4313 GPRESSAVG: 4317200 -45.9815 -11.2592 -49.2068 -9.42573 37.4367 32.8788 -46.2837 34.1676 -15.3417 TIMING: 4317200 CPU: 13960.4, 0.0032054/step Wall: 13960.4, 0.0032054/step, 0.607957 hours remaining, 234.824219 MB of memory in use. ENERGY: 4317200 3889.5341 20452.3527 14503.2606 242.2737 -202714.0626 2201.8666 0.0000 0.0000 51849.2604 -109575.5145 297.9784 -161424.7750 -109206.7113 298.7195 -289.3354 -257.7541 762307.9617 -7.7757 -7.9622 PRESSURE: 4317400 -104.497 -137.333 -40.6563 -137.332 -303.214 193.476 -40.656 193.475 -266.578 GPRESSURE: 4317400 -6.39389 -42.8326 -93.5526 -170.837 -255.046 141.302 13.2182 131.612 -326.112 PRESSAVG: 4317400 -41.3773 4.45188 -21.4099 4.45185 21.0788 3.68703 -21.4099 3.68703 22.3541 GPRESSAVG: 4317400 -42.8047 5.77733 -22.9894 2.63598 23.5604 5.01926 -22.3396 2.6411 21.6088 TIMING: 4317400 CPU: 13961.1, 0.00321266/step Wall: 13961.1, 0.00321266/step, 0.609156 hours remaining, 234.824219 MB of memory in use. ENERGY: 4317400 3983.9464 20351.4586 14416.0800 240.5769 -203108.0931 2486.3230 0.0000 0.0000 52073.0275 -109556.6807 299.2644 -161629.7083 -109190.7016 298.5321 -224.7627 -195.8507 762244.4444 0.6852 0.7882 PRESSURE: 4317600 -242.901 -89.0791 150.565 -89.0795 -403.611 -76.4089 150.565 -76.4096 -172.705 GPRESSURE: 4317600 -151.244 -39.5308 178.831 -128.947 -381.358 -49.2549 186.145 -64.2243 -190.553 PRESSAVG: 4317600 -9.38086 0.967818 -3.51196 0.967769 -21.8547 26.3626 -3.51205 26.3626 10.2872 GPRESSAVG: 4317600 -8.29052 1.52929 -1.98778 1.2766 -22.8698 25.3216 -2.45412 26.8184 10.4993 TIMING: 4317600 CPU: 13961.7, 0.00317882/step Wall: 13961.7, 0.00317882/step, 0.602564 hours remaining, 234.824219 MB of memory in use. ENERGY: 4317600 3921.1172 20541.2906 14443.9857 258.1598 -202695.4973 2252.4751 0.0000 0.0000 51841.7634 -109436.7056 297.9353 -161278.4690 -109069.9171 299.3113 -273.0724 -241.0515 762553.0778 -6.9828 -6.8870 PRESSURE: 4317800 -348.615 -259.771 308.411 -259.772 -103.984 -86.4189 308.411 -86.4186 -278.083 GPRESSURE: 4317800 -299.27 -196.224 317.432 -265.295 -70.3737 -87.3015 116.975 -76.3136 -267.737 PRESSAVG: 4317800 -26.4414 -7.29122 26.5281 -7.29124 9.47599 -99.7629 26.5282 -99.763 -15.6149 GPRESSAVG: 4317800 -26.959 -9.04461 25.6702 -6.58748 10.2908 -98.2459 25.6148 -99.2999 -15.8258 TIMING: 4317800 CPU: 13962.3, 0.00316088/step Wall: 13962.3, 0.00316088/step, 0.598988 hours remaining, 234.824219 MB of memory in use. ENERGY: 4317800 3969.3419 20465.1149 14429.6247 238.5975 -203050.9415 2344.2640 0.0000 0.0000 52042.0021 -109561.9964 299.0861 -161603.9984 -109197.7745 298.8201 -243.5607 -212.4602 761800.2872 -10.8601 -10.8314 PRESSURE: 4318000 163.156 98.4928 -214.009 98.4918 227.276 -102.64 -214.009 -102.64 258.164 GPRESSURE: 4318000 271.184 42.8946 -332.154 130.123 145.456 -116.511 -43.5252 -92.6121 311.099 PRESSAVG: 4318000 88.2496 -44.4938 -4.43007 -44.4938 -55.5895 -22.9262 -4.43005 -22.9262 28.0517 GPRESSAVG: 4318000 89.1631 -43.4661 -6.59151 -45.3821 -57.7001 -25.1157 -4.51382 -23.6532 28.992 TIMING: 4318000 CPU: 13963, 0.00317517/step Wall: 13963, 0.00317517/step, 0.601519 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4318000 3982.8879 20607.0447 14486.4108 250.3240 -203245.3716 2479.9320 0.0000 0.0000 52009.7803 -109428.9920 298.9009 -161438.7723 -109065.3160 299.2498 216.1986 242.5797 760675.5945 20.2372 20.1517 PRESSURE: 4318200 -328.024 -122.112 -120.345 -122.112 -59.3555 16.7527 -120.344 16.7525 91.0595 GPRESSURE: 4318200 -366.877 -0.936233 -129.089 -220.513 -12.3725 75.2091 30.1276 81.9444 153.556 PRESSAVG: 4318200 -20.2943 -11.1294 -8.55545 -11.1294 -12.7642 7.28575 -8.55547 7.28574 -9.33611 GPRESSAVG: 4318200 -21.3421 -11.7234 -5.12164 -10.9527 -11.9111 6.2396 -7.30126 9.66153 -9.328 TIMING: 4318200 CPU: 13963.6, 0.00320409/step Wall: 13963.6, 0.00320409/step, 0.606818 hours remaining, 234.824219 MB of memory in use. ENERGY: 4318200 4017.3172 20549.3349 14517.0567 252.7235 -202902.9633 2339.5567 0.0000 0.0000 51935.4382 -109291.5362 298.4737 -161226.9744 -108932.6211 299.3603 -98.7733 -75.2312 762820.7339 -14.1315 -14.1937 PRESSURE: 4318400 -158.171 270.826 51.119 270.827 -631.358 259.389 51.1186 259.389 126.364 GPRESSURE: 4318400 -132.628 352.668 -32.6183 232.709 -568.671 317.258 43.8136 96.8847 108.426 PRESSAVG: 4318400 25.2333 -19.9704 21.1682 -19.9704 -32.358 -22.1241 21.1682 -22.1241 18.1302 GPRESSAVG: 4318400 26.1209 -20.8462 20.2497 -18.7637 -32.3182 -21.7402 20.7958 -22.9675 17.3798 TIMING: 4318400 CPU: 13964.3, 0.0032135/step Wall: 13964.3, 0.0032135/step, 0.608422 hours remaining, 234.824219 MB of memory in use. ENERGY: 4318400 3959.2017 20510.0817 14482.5683 255.3702 -203200.6249 2580.6341 0.0000 0.0000 52237.1644 -109175.6045 300.2077 -161412.7689 -108815.7309 299.7524 -221.0549 -197.6246 762436.1352 3.6685 3.7275 PRESSURE: 4318600 -70.6149 -45.6884 140.082 -45.6888 -317.444 -53.1577 140.081 -53.1582 15.8207 GPRESSURE: 4318600 -40.3824 -96.782 40.7739 56.9578 -198.934 67.2546 118.989 -58.5913 -23.3281 PRESSAVG: 4318600 49.0429 16.235 31.0612 16.2349 -22.5595 -29.4025 31.0611 -29.4025 13.9895 GPRESSAVG: 4318600 49.1869 17.9698 29.4963 14.5714 -22.3809 -27.3723 29.2898 -31.344 14.2375 TIMING: 4318600 CPU: 13964.9, 0.00320865/step Wall: 13964.9, 0.00320865/step, 0.607327 hours remaining, 234.824219 MB of memory in use. ENERGY: 4318600 3962.2618 20322.4874 14454.2741 246.0502 -202999.5582 2482.4269 0.0000 0.0000 52287.4209 -109244.6368 300.4965 -161532.0577 -108873.5114 299.4771 -124.0793 -87.5481 761333.6955 13.4910 13.6812 PRESSURE: 4318800 -260.948 118.783 138.656 118.783 -355.01 -136.153 138.656 -136.152 -183.78 GPRESSURE: 4318800 -224.419 71.6698 101.324 114.193 -354.292 -199.079 60.5215 98.9402 -131.747 PRESSAVG: 4318800 -2.01544 24.9357 13.8349 24.9357 -43.568 -1.98509 13.835 -1.98507 6.56325 GPRESSAVG: 4318800 -1.7397 25.0302 17.1195 25.1982 -43.8426 -4.53588 13.1285 -0.778657 6.19303 TIMING: 4318800 CPU: 13965.5, 0.00316979/step Wall: 13965.5, 0.00316979/step, 0.599795 hours remaining, 234.824219 MB of memory in use. ENERGY: 4318800 4024.5515 20477.7289 14448.8484 240.9432 -202983.3271 2297.4809 0.0000 0.0000 52246.3899 -109247.3843 300.2607 -161493.7742 -108886.3800 299.4579 -266.5794 -236.8194 762418.7160 -13.0067 -13.1298 PRESSURE: 4319000 -572.6 68.682 -145.194 68.6815 -219.767 40.7122 -145.194 40.7126 -66.188 GPRESSURE: 4319000 -492.493 109.613 -92.905 11.9893 -192.489 41.8803 -24.9803 139.828 -81.5191 PRESSAVG: 4319000 39.6961 9.91558 -35.6143 9.91563 23.4008 -14.3101 -35.6143 -14.3101 22.8605 GPRESSAVG: 4319000 39.6164 8.64615 -37.5209 9.82628 22.8416 -13.8515 -33.7831 -14.2415 23.2825 TIMING: 4319000 CPU: 13966.2, 0.0031991/step Wall: 13966.2, 0.00319909/step, 0.605162 hours remaining, 234.824219 MB of memory in use. ENERGY: 4319000 4018.7401 20556.1407 14439.4393 243.0008 -202855.0919 2289.6279 0.0000 0.0000 52320.7504 -108987.3927 300.6881 -161308.1430 -108621.7482 300.1790 -286.1850 -255.5001 761242.3305 28.6524 28.5802 PRESSURE: 4319200 115.648 -123.948 12.384 -123.948 139.259 -147.73 12.3839 -147.73 -8.21544 GPRESSURE: 4319200 132.427 -119.666 -12.293 -21.1263 220.443 -121.235 -72.154 -17.2931 -25.1144 PRESSAVG: 4319200 -15.6077 -18.9108 11.6934 -18.9108 -10.728 16.2871 11.6934 16.2871 -9.00865 GPRESSAVG: 4319200 -16.173 -18.3353 10.6979 -18.1311 -10.6804 18.2043 11.7453 15.8627 -8.80911 TIMING: 4319200 CPU: 13966.8, 0.00317494/step Wall: 13966.8, 0.00317494/step, 0.600417 hours remaining, 234.824219 MB of memory in use. ENERGY: 4319200 4009.5018 20578.9000 14417.7133 268.0753 -203447.3506 2798.5336 0.0000 0.0000 52300.0615 -109074.5652 300.5692 -161374.6267 -108707.0627 300.1463 82.2306 109.2521 760499.5977 -11.7815 -11.8875 PRESSURE: 4319400 23.9963 -57.6974 -0.455661 -57.6975 -280.518 -195.073 -0.455511 -195.074 -198.685 GPRESSURE: 4319400 -49.289 -5.38063 -92.9141 -87.4398 -179.349 -285.515 11.1277 -223.515 -137.806 PRESSAVG: 4319400 18.6517 -34.086 63.3422 -34.0861 -0.82986 -12.4521 63.3422 -12.452 1.27325 GPRESSAVG: 4319400 17.666 -34.5172 64.641 -34.5251 0.355347 -12.3814 62.7805 -11.1595 1.40159 TIMING: 4319400 CPU: 13967.5, 0.00320418/step Wall: 13967.5, 0.00320418/step, 0.605768 hours remaining, 234.824219 MB of memory in use. ENERGY: 4319400 3941.2148 20507.8565 14502.5953 240.2641 -203180.7340 2505.1709 0.0000 0.0000 52192.0709 -109291.5614 299.9485 -161483.6323 -108929.3278 299.5496 -151.7354 -122.1478 762530.2254 6.3650 6.4743 PRESSURE: 4319600 -344.259 -322.694 77.6608 -322.694 -59.1423 -177.999 77.6617 -177.999 380.434 GPRESSURE: 4319600 -210.975 -404.105 65.2798 -333.304 -139.898 -110.699 111.778 -196.535 419.965 PRESSAVG: 4319600 51.4553 -42.8486 68.8097 -42.8486 -34.629 12.3973 68.8097 12.3972 -6.43448 GPRESSAVG: 4319600 52.6269 -43.3289 68.336 -41.4439 -35.3329 11.9425 69.9952 11.7598 -6.39588 TIMING: 4319600 CPU: 13968.1, 0.0032068/step Wall: 13968.1, 0.0032068/step, 0.606085 hours remaining, 234.824219 MB of memory in use. ENERGY: 4319600 3946.8651 20779.8205 14489.8154 246.3349 -203069.4363 2346.1320 0.0000 0.0000 52146.0541 -109114.4142 299.6841 -161260.4684 -108760.8022 299.7286 -7.6559 23.0308 761386.4567 3.4640 3.6327 PRESSURE: 4319800 232.919 10.009 176.37 10.0095 69.7036 139.358 176.371 139.358 -1.43483 GPRESSURE: 4319800 329.643 10.1098 228.534 -31.3132 93.1855 142.014 87.6494 104.798 -13.5009 PRESSAVG: 4319800 19.9277 -32.7457 -29.2426 -32.7458 -19.9613 -4.51605 -29.2426 -4.51593 -16.2813 GPRESSAVG: 4319800 19.3606 -32.9787 -29.0216 -34.0408 -19.857 -5.23078 -29.4911 -4.15083 -15.9917 TIMING: 4319800 CPU: 13968.7, 0.00317353/step Wall: 13968.7, 0.00317353/step, 0.599622 hours remaining, 234.824219 MB of memory in use. ENERGY: 4319800 4083.5978 20543.1146 14409.7972 238.7518 -203402.6212 2660.0183 0.0000 0.0000 52406.0979 -109061.2437 301.1786 -161467.3415 -108689.0724 300.6825 100.3959 136.4426 761509.7027 -5.4383 -5.4961 PRESSURE: 4320000 -392.355 -170.362 -69.6338 -170.363 -115.089 172.659 -69.6335 172.66 -224.421 GPRESSURE: 4320000 -298.224 -132.328 -81.4487 -179.574 -112.367 -9.73751 -61.1917 138.576 -229.444 PRESSAVG: 4320000 14.8649 -45.7736 18.5755 -45.7737 -16.0668 -12.0573 18.5756 -12.0572 1.97159 GPRESSAVG: 4320000 15.1596 -46.3639 18.9722 -45.1256 -16.2588 -11.5304 17.0468 -11.5291 1.12795 TIMING: 4320000 CPU: 13969.4, 0.00319402/step Wall: 13969.4, 0.00319402/step, 0.603315 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4320000 4011.3550 20687.6889 14421.9777 235.4322 -202841.5897 2216.6250 0.0000 0.0000 52131.0222 -109137.4887 299.5977 -161268.5108 -108781.3752 300.4435 -243.9551 -213.3453 762438.8485 0.2565 0.0096 PRESSURE: 4320200 164.317 -36.1757 104.694 -36.1759 -286.579 29.0161 104.693 29.0173 121.222 GPRESSURE: 4320200 187.952 44.7922 45.235 -6.70336 -197.061 44.8873 244.285 -108.762 99.8632 PRESSAVG: 4320200 -69.6154 -24.6261 1.27405 -24.6261 -13.3821 -22.1112 1.27405 -22.1112 -13.0159 GPRESSAVG: 4320200 -70.0529 -22.9669 0.212115 -24.0408 -12.9833 -21.8323 3.78815 -25.7516 -12.7475 TIMING: 4320200 CPU: 13970, 0.00317076/step Wall: 13970, 0.00317077/step, 0.598746 hours remaining, 234.824219 MB of memory in use. ENERGY: 4320200 4038.3569 20797.1659 14429.7485 240.4631 -203502.7651 2623.8493 0.0000 0.0000 52002.6993 -109370.4822 298.8602 -161373.1815 -109018.9679 299.8971 -0.3469 30.2512 762558.8069 -32.0045 -31.9279 LDB: ============= START OF LOAD BALANCING ============== 13982.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13982.4 LDB: =============== DONE WITH MIGRATION ================ 13982.4 LDB: ============= START OF LOAD BALANCING ============== 13982.7 LDB: Largest compute 7049 load 0.036249 is 18.5% of average load 0.195496 LDB: Average compute 0.004394 is 2.2% of average load 0.195496 LDB: TIME 13982.8 LOAD: AVG 0.195496 MAX 0.213686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 13982.8 LOAD: AVG 0.195496 MAX 0.213686 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 13982.8 LOAD: AVG 0.195496 MAX 0.213686 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 13982.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13982.8 PRESSURE: 4320400 96.5596 -94.6557 39.4151 -94.6556 126.583 -164.642 39.416 -164.642 -136.805 GPRESSURE: 4320400 132.265 -32.7461 34.1546 -170.42 156.969 -83.5481 47.3743 -285.729 -96.4855 PRESSAVG: 4320400 38.8271 3.49078 19.4695 3.49074 -4.20162 8.7359 19.4695 8.73597 -10.8157 GPRESSAVG: 4320400 39.1189 5.60694 19.971 1.44512 -3.13001 8.32158 16.9078 11.5995 -11.5317 TIMING: 4320400 CPU: 13970.7, 0.00324641/step Wall: 13970.7, 0.00324641/step, 0.61285 hours remaining, 235.066406 MB of memory in use. ENERGY: 4320400 3998.2304 20588.0513 14423.7298 254.8508 -203351.2756 2597.0922 0.0000 0.0000 52129.9368 -109359.3843 299.5915 -161489.3211 -108988.2796 299.8462 28.7793 64.2497 759360.9022 7.9366 8.1524 PRESSURE: 4320600 -147.091 6.92756 -173.902 6.92802 -215.988 110.181 -173.902 110.18 -259.899 GPRESSURE: 4320600 -135.859 13.1073 -151.099 52.1741 -70.0606 121.989 -208.097 107.636 -319.577 PRESSAVG: 4320600 -5.3041 -19.3248 2.07248 -19.3249 40.5292 5.02797 2.07248 5.02804 4.18702 GPRESSAVG: 4320600 -6.63585 -21.9012 1.47982 -19.9276 40.8209 6.80347 2.60314 4.57589 4.65011 TIMING: 4320600 CPU: 13971.3, 0.00320311/step Wall: 13971.3, 0.00320311/step, 0.604499 hours remaining, 235.269531 MB of memory in use. ENERGY: 4320600 3984.6637 20564.6975 14466.5276 249.6869 -203486.6166 2509.6516 0.0000 0.0000 52224.0276 -109487.3616 300.1322 -161711.3893 -109113.2051 299.3597 -207.6594 -175.1654 760145.8175 13.1374 12.9451 PRESSURE: 4320800 -147.945 77.4677 1.60565 77.4679 -165.499 -134.503 1.6061 -134.503 -63.788 GPRESSURE: 4320800 -106.24 104.492 29.8809 43.029 -40.1918 -140.793 58.7973 -54.2296 -142.373 PRESSAVG: 4320800 -15.7964 1.48589 -15.7394 1.48593 -23.0434 -4.90782 -15.7393 -4.90775 14.3234 GPRESSAVG: 4320800 -13.4237 2.84254 -16.3477 1.08282 -23.9915 -3.86283 -13.7849 -5.35843 13.2946 TIMING: 4320800 CPU: 13971.9, 0.00318416/step Wall: 13971.9, 0.00318416/step, 0.600746 hours remaining, 235.269531 MB of memory in use. ENERGY: 4320800 3981.4523 20603.5078 14475.6204 264.3096 -203210.4457 2469.6350 0.0000 0.0000 52037.0326 -109378.8880 299.0575 -161415.9207 -109013.3373 299.5929 -125.7438 -96.2683 760356.3862 -8.1721 -8.0402 PRESSURE: 4321000 -407.823 -176.904 243.319 -176.904 357.891 101.264 243.32 101.263 -260.382 GPRESSURE: 4321000 -375.783 -185.569 264.779 -163.942 390.897 86.1352 186.344 36.9023 -257.004 PRESSAVG: 4321000 15.484 -6.06665 65.2621 -6.06665 -30.4082 -25.9903 65.2621 -25.9902 6.0939 GPRESSAVG: 4321000 14.6793 -8.57189 65.9159 -5.07695 -30.4958 -28.6318 63.8328 -26.5282 7.03042 TIMING: 4321000 CPU: 13972.6, 0.00315648/step Wall: 13972.6, 0.00315648/step, 0.595347 hours remaining, 235.269531 MB of memory in use. ENERGY: 4321000 4030.0687 20612.4989 14527.4400 237.6796 -203137.3625 2587.2388 0.0000 0.0000 52015.3064 -109127.1301 298.9327 -161142.4364 -108763.9150 300.3430 -103.4377 -80.6301 760647.6835 -2.9434 -2.9287 PRESSURE: 4321200 97.6077 -60.9501 -102.04 -60.9499 -201.648 41.6801 -102.04 41.6802 -63.4214 GPRESSURE: 4321200 200.152 -49.4487 -77.9168 -20.3434 -236.076 94.0831 -40.0261 -17.8434 -52.5819 PRESSAVG: 4321200 3.89748 -27.7891 42.6653 -27.7891 5.70822 3.32295 42.6652 3.32295 24.2041 GPRESSAVG: 4321200 4.06841 -24.6036 43.0822 -27.2069 4.70758 3.40728 43.6838 5.27302 24.7529 TIMING: 4321200 CPU: 13973.2, 0.00316125/step Wall: 13973.2, 0.00316125/step, 0.596071 hours remaining, 235.339844 MB of memory in use. ENERGY: 4321200 4020.5730 20527.6673 14463.1488 244.2394 -203208.0858 2399.4917 0.0000 0.0000 52431.0650 -109121.9004 301.3221 -161552.9654 -108760.0713 300.7100 -55.8206 -29.5019 761026.3566 11.2699 11.1763 PRESSURE: 4321400 -114.977 -42.482 144.152 -42.4819 -514.446 211.698 144.151 211.697 -313.921 GPRESSURE: 4321400 -117.877 -105.515 135.066 -51.6149 -447.606 217.425 313.946 116.045 -295.615 PRESSAVG: 4321400 -37.6519 -49.822 -2.96489 -49.822 4.97862 -26.7141 -2.96494 -26.7141 -2.80271 GPRESSAVG: 4321400 -38.0784 -50.7533 -2.99876 -50.0189 5.96525 -26.6943 -2.59972 -26.4892 -3.71237 TIMING: 4321400 CPU: 13973.8, 0.0031433/step Wall: 13973.8, 0.0031433/step, 0.592513 hours remaining, 235.410156 MB of memory in use. ENERGY: 4321400 3971.9362 20828.3124 14466.4431 240.4734 -203118.7912 2380.5987 0.0000 0.0000 52041.0930 -109189.9343 299.0809 -161231.0273 -108837.7245 300.2340 -314.4480 -287.0328 761309.0333 -11.8253 -11.9418 PRESSURE: 4321600 -214.241 -5.20851 -43.1773 -5.20919 -8.10289 98.9314 -43.1764 98.9302 -44.6045 GPRESSURE: 4321600 -278.017 -50.8706 -56.8934 14.7612 50.529 168.466 -81.4927 149.724 31.8945 PRESSAVG: 4321600 18.2399 -41.6377 33.7952 -41.6378 16.0063 -22.203 33.7951 -22.203 6.87138 GPRESSAVG: 4321600 17.5854 -40.4403 32.0299 -41.9935 15.8632 -21.7236 32.8347 -23.8656 7.40083 TIMING: 4321600 CPU: 13974.5, 0.00317711/step Wall: 13974.5, 0.00317711/step, 0.598708 hours remaining, 235.410156 MB of memory in use. ENERGY: 4321600 4029.6575 20674.6834 14451.4759 242.3198 -203385.4702 2506.0890 0.0000 0.0000 52349.1097 -109132.1348 300.8511 -161481.2445 -108770.4888 299.8392 -88.9827 -65.1977 760729.1368 13.7058 13.6165 PRESSURE: 4321800 33.3122 -352.851 -37.2503 -352.851 -13.4704 2.0751 -37.2512 2.07578 -62.2804 GPRESSURE: 4321800 53.2349 -275.951 -36.7337 -303.836 -16.294 145.177 -61.9705 -36.6211 15.7556 PRESSAVG: 4321800 15.0081 -36.4612 40.7 -36.4613 -4.32374 -12.8377 40.6999 -12.8378 -11.2363 GPRESSAVG: 4321800 14.1101 -36.1647 41.7747 -34.496 -3.17277 -14.3938 40.3151 -13.2953 -11.5236 TIMING: 4321800 CPU: 13975.1, 0.00320505/step Wall: 13975.1, 0.00320505/step, 0.603795 hours remaining, 235.410156 MB of memory in use. ENERGY: 4321800 3962.9566 20765.7188 14471.4473 271.3274 -203243.9898 2573.7084 0.0000 0.0000 51950.5985 -109248.2328 298.5608 -161198.8313 -108892.9165 299.8685 -14.1462 17.5655 760154.9370 -0.1840 -0.1954 PRESSURE: 4322000 56.2947 144.769 105.026 144.769 -145.013 10.4568 105.026 10.456 279.852 GPRESSURE: 4322000 72.5172 39.0821 79.104 100.333 -92.6147 -86.7648 -9.05872 25.0643 288.132 PRESSAVG: 4322000 4.90535 -22.8008 -26.2519 -22.8008 8.55179 -33.7599 -26.2518 -33.76 11.8207 GPRESSAVG: 4322000 6.21501 -21.5285 -25.3909 -24.3814 8.03569 -31.6626 -26.4831 -31.7917 11.6014 TIMING: 4322000 CPU: 13975.7, 0.00319863/step Wall: 13975.7, 0.00319863/step, 0.602409 hours remaining, 235.613281 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: 4322000 3974.1225 20600.0554 14449.4960 253.1860 -203303.4833 2643.1041 0.0000 0.0000 52134.3532 -109249.1661 299.6168 -161383.5193 -108881.2796 299.7839 63.7113 89.3449 761707.7108 8.4260 8.6174 PRESSURE: 4322200 41.5299 -175.147 86.5195 -175.147 -46.9128 -50.5429 86.5196 -50.5429 97.7107 GPRESSURE: 4322200 103.877 -217.35 39.3387 -221.889 48.2902 -81.3414 94.3714 -85.0021 21.1401 PRESSAVG: 4322200 -15.0834 -13.8048 5.09172 -13.8048 24.6351 -17.0557 5.09171 -17.0556 -19.7537 GPRESSAVG: 4322200 -15.0187 -15.6329 4.80355 -14.2915 24.5635 -18.3188 4.52762 -17.263 -19.058 TIMING: 4322200 CPU: 13976.4, 0.00313833/step Wall: 13976.4, 0.00313833/step, 0.590877 hours remaining, 235.613281 MB of memory in use. ENERGY: 4322200 4033.5096 20618.1987 14420.0012 259.4263 -203037.2258 2347.9949 0.0000 0.0000 52203.9008 -109154.1941 300.0165 -161358.0950 -108790.6792 299.7667 30.7759 57.7691 760671.4222 -3.4007 -3.1711 PRESSURE: 4322400 414.437 -110.572 117.114 -110.573 158.605 -234.758 117.114 -234.757 -238.929 GPRESSURE: 4322400 452.631 -30.4444 129.594 -178.247 208.395 -228.906 58.7298 -156.191 -206.494 PRESSAVG: 4322400 -7.77393 -30.3066 26.3377 -30.3066 29.4835 -32.238 26.3377 -32.238 -19.2775 GPRESSAVG: 4322400 -8.01469 -32.0735 26.7311 -28.3238 31.0349 -31.7345 26.8824 -31.1756 -19.9146 TIMING: 4322400 CPU: 13977, 0.00313679/step Wall: 13977, 0.00313679/step, 0.590413 hours remaining, 235.613281 MB of memory in use. ENERGY: 4322400 3987.0020 20573.6296 14426.8617 252.0387 -203247.0563 2708.6893 0.0000 0.0000 52137.8550 -109160.9799 299.6370 -161298.8349 -108799.1143 299.7457 111.3709 151.5109 759287.7390 0.8107 1.0352 PRESSURE: 4322600 -426.04 -271.54 -155.477 -271.54 -90.0479 -60.8459 -155.477 -60.8454 -54.821 GPRESSURE: 4322600 -390.85 -328.17 -81.4344 -299.074 -72.7276 -142.33 -228.997 -12.1212 -28.74 PRESSAVG: 4322600 42.9604 -80.8017 4.24116 -80.8016 -5.69222 -20.3424 4.24116 -20.3424 -20.9698 GPRESSAVG: 4322600 42.6671 -80.3679 4.26463 -80.728 -6.74059 -20.6046 5.72731 -24.0746 -20.1809 TIMING: 4322600 CPU: 13977.6, 0.0031643/step Wall: 13977.6, 0.0031643/step, 0.595416 hours remaining, 235.613281 MB of memory in use. ENERGY: 4322600 3987.7666 20616.1252 14469.1218 257.6837 -202784.2661 1939.8678 0.0000 0.0000 52240.8529 -109272.8482 300.2289 -161513.7011 -108904.5508 299.8466 -190.3031 -164.1058 760725.8902 5.4328 5.2485 PRESSURE: 4322800 -25.8736 -293.016 -97.1635 -293.015 185.046 109.127 -97.1627 109.127 337.47 GPRESSURE: 4322800 142.109 -273.272 -140.412 -302.827 107.606 97.6634 -86.1517 44.168 334.789 PRESSAVG: 4322800 -4.17011 -80.7538 -54.1727 -80.7538 24.0143 4.28952 -54.1727 4.28949 -10.9084 GPRESSAVG: 4322800 -3.04926 -79.796 -54.1021 -82.2836 23.4488 4.00283 -54.5281 6.49176 -10.9438 TIMING: 4322800 CPU: 13978.3, 0.0031811/step Wall: 13978.3, 0.0031811/step, 0.5984 hours remaining, 235.613281 MB of memory in use. ENERGY: 4322800 3991.9999 20473.6569 14401.7032 243.6821 -202920.5056 2453.8331 0.0000 0.0000 51835.8927 -109519.7377 297.9016 -161355.6304 -109164.7418 299.3829 165.5473 194.8347 760307.4184 2.9786 3.1519 PRESSURE: 4323000 100.945 -0.00549296 -229.45 -0.00587342 -306.047 39.5055 -229.451 39.5053 213.295 GPRESSURE: 4323000 201.791 -27.5634 -214.591 -48.6355 -262.022 56.4617 -107.629 -116.061 145.314 PRESSAVG: 4323000 49.0068 -53.5382 -8.01083 -53.5383 -26.8806 5.71232 -8.01081 5.71235 0.316353 GPRESSAVG: 4323000 49.6181 -54.2323 -7.18891 -52.4967 -26.698 6.43481 -8.93335 5.30161 -0.464261 TIMING: 4323000 CPU: 13978.9, 0.00318587/step Wall: 13978.9, 0.00318587/step, 0.599121 hours remaining, 235.613281 MB of memory in use. ENERGY: 4323000 4005.1360 20539.0567 14477.8961 241.9568 -203485.5378 2662.2770 0.0000 0.0000 52010.6008 -109548.6144 298.9056 -161559.2152 -109182.2154 298.6812 2.7310 28.3608 760767.6912 7.4808 7.4853 PRESSURE: 4323200 -62.5482 3.40424 -17.3438 3.40402 -24.7572 -133.88 -17.344 -133.879 -31.8167 GPRESSURE: 4323200 -88.839 16.7423 3.46911 -68.2354 107.568 -151.271 -134.263 -228.756 -35.5865 PRESSAVG: 4323200 22.049 -16.6134 11.3591 -16.6134 -27.9219 7.86949 11.3591 7.86943 0.214735 GPRESSAVG: 4323200 20.4895 -16.0184 10.5226 -16.7151 -27.412 7.35816 11.4075 6.13737 1.04607 TIMING: 4323200 CPU: 13979.5, 0.00317279/step Wall: 13979.5, 0.00317279/step, 0.596485 hours remaining, 235.613281 MB of memory in use. ENERGY: 4323200 3948.6309 20420.6052 14463.8770 240.9914 -203465.2710 2692.8708 0.0000 0.0000 52122.7626 -109575.5331 299.5502 -161698.2957 -109206.2514 298.6838 -39.7074 -5.6192 759635.3073 -1.8861 -1.9588 PRESSURE: 4323400 -101.558 -267.852 -120.854 -267.852 -156.112 163.651 -120.855 163.65 -367.129 GPRESSURE: 4323400 -141.322 -276.224 -135.742 -71.7952 -39.3136 128.286 -81.9277 168.045 -360.987 PRESSAVG: 4323400 -0.605312 -86.0963 -24.3563 -86.0964 -27.9371 18.0839 -24.3564 18.0839 -3.84291 GPRESSAVG: 4323400 -0.885913 -86.6687 -25.4583 -86.6846 -28.0273 18.2633 -23.266 19.163 -2.94815 TIMING: 4323400 CPU: 13980.2, 0.00318907/step Wall: 13980.2, 0.00318907/step, 0.599368 hours remaining, 235.667969 MB of memory in use. ENERGY: 4323400 4018.9955 20582.5221 14455.5731 230.3724 -202933.1317 2092.4666 0.0000 0.0000 52235.3656 -109317.8364 300.1974 -161553.2020 -108945.7491 299.9538 -208.2663 -180.5408 761602.5316 -10.7951 -10.6204 PRESSURE: 4323600 504.365 98.1971 12.4087 98.1971 172.237 70.218 12.4086 70.2184 104.579 GPRESSURE: 4323600 357.995 82.5854 27.0905 127.991 408.112 125.854 -9.46491 13.2195 102.696 PRESSAVG: 4323600 50.7666 -23.3584 12.6138 -23.3584 -19.7872 4.64256 12.6139 4.64251 0.945559 GPRESSAVG: 4323600 49.9162 -22.1845 13.7513 -24.1416 -18.3592 5.10222 11.6017 6.8442 0.467029 TIMING: 4323600 CPU: 13980.8, 0.00318359/step Wall: 13980.8, 0.00318359/step, 0.598161 hours remaining, 235.667969 MB of memory in use. ENERGY: 4323600 3973.5175 20664.5975 14420.3822 257.4819 -203666.3546 2815.5540 0.0000 0.0000 52125.6784 -109409.1432 299.5670 -161534.8216 -109039.8880 299.9558 260.3938 289.6011 761617.3192 10.6416 10.6747 PRESSURE: 4323800 -435.316 -16.5138 195.932 -16.5137 -255.788 136.648 195.932 136.648 -38.7703 GPRESSURE: 4323800 -385.149 -138.707 146.295 -48.6309 -222.854 162.145 285.604 -31.3082 -46.0517 PRESSAVG: 4323800 -17.9354 -70.4679 7.18994 -70.4679 -8.896 27.572 7.19002 27.572 -24.0098 GPRESSAVG: 4323800 -17.5133 -71.0055 8.46296 -70.812 -9.1795 29.1395 7.09828 24.4837 -24.411 TIMING: 4323800 CPU: 13981.5, 0.00322578/step Wall: 13981.5, 0.00322578/step, 0.605908 hours remaining, 235.667969 MB of memory in use. ENERGY: 4323800 3979.4660 20652.8232 14509.3168 268.7443 -203054.5499 2196.6988 0.0000 0.0000 52015.6730 -109431.8279 298.9348 -161447.5009 -109070.1876 299.5550 -243.2913 -218.0184 761152.3353 -16.9471 -17.0346 PRESSURE: 4324000 -237.123 64.6478 -66.5125 64.6473 -67.9809 -294.74 -66.5127 -294.74 285.719 GPRESSURE: 4324000 -106.562 71.4986 -44.7744 79.1146 -82.1978 -288.816 -49.1192 -160.253 247.318 PRESSAVG: 4324000 0.887188 -49.907 9.35802 -49.9069 15.2735 -17.9809 9.35803 -17.9808 13.8643 GPRESSAVG: 4324000 2.34509 -49.6122 8.1363 -49.7163 14.3522 -19.1454 9.99612 -15.9618 13.7975 TIMING: 4324000 CPU: 13982.1, 0.00317274/step Wall: 13982.1, 0.00317274/step, 0.595771 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4324000 4034.4321 20833.8665 14467.0846 242.3894 -203658.0399 2542.3088 0.0000 0.0000 52129.5575 -109408.4009 299.5893 -161537.9584 -109050.2625 299.1668 -6.4616 19.5192 760070.8574 10.0083 10.1650 PRESSURE: 4324200 44.9304 -83.418 -123.824 -83.4178 122.44 -129.438 -123.821 -129.438 -91.3459 GPRESSURE: 4324200 -42.8453 -197.413 -113.557 -91.2521 185.463 -219.84 -95.2027 -178.606 5.8568 PRESSAVG: 4324200 -14.4931 -48.3629 -26.1227 -48.3629 16.2524 -1.24988 -26.1227 -1.24983 33.9536 GPRESSAVG: 4324200 -15.0905 -49.5864 -24.3882 -47.9529 16.897 -1.58959 -27.7865 -1.05666 33.8236 TIMING: 4324200 CPU: 13982.7, 0.00315033/step Wall: 13982.7, 0.00315033/step, 0.591387 hours remaining, 235.667969 MB of memory in use. ENERGY: 4324200 4033.0192 20612.8003 14458.1235 253.7782 -203376.7929 2412.6673 0.0000 0.0000 52127.0642 -109479.3402 299.5750 -161606.4045 -109113.6026 299.7180 25.3416 49.4916 760324.8236 11.9043 11.8767 LDB: ============= START OF LOAD BALANCING ============== 13995.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13995.1 LDB: =============== DONE WITH MIGRATION ================ 13995.1 LDB: ============= START OF LOAD BALANCING ============== 13995.5 LDB: Largest compute 7049 load 0.032459 is 16.6% of average load 0.195517 LDB: Average compute 0.004391 is 2.2% of average load 0.195517 LDB: TIME 13995.5 LOAD: AVG 0.195517 MAX 0.21401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 13995.5 LOAD: AVG 0.195517 MAX 0.21401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: TIME 13995.5 LOAD: AVG 0.195517 MAX 0.21401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: ============== END OF LOAD BALANCING =============== 13995.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13995.5 PRESSURE: 4324400 -80.3501 -8.13331 -289.41 -8.13288 -194.845 90.1163 -289.41 90.1154 151.701 GPRESSURE: 4324400 17.9849 -81.9976 -220.216 6.10614 -158.287 108.525 -217.815 107.792 76.2952 PRESSAVG: 4324400 19.8055 28.2209 -3.69194 28.2209 -56.6139 -22.8685 -3.6919 -22.8684 -1.70859 GPRESSAVG: 4324400 19.0263 28.9274 -4.64008 29.5393 -55.1671 -23.5405 -2.00478 -20.0034 -2.74861 TIMING: 4324400 CPU: 13983.4, 0.0032357/step Wall: 13983.4, 0.00323569/step, 0.607232 hours remaining, 234.421875 MB of memory in use. ENERGY: 4324400 3937.7246 20588.4929 14428.2710 252.8906 -203668.0011 2633.9323 0.0000 0.0000 52064.6631 -109762.0267 299.2163 -161826.6897 -109395.8423 299.4093 -41.1645 -21.3355 759137.6847 -12.8390 -12.9631 PRESSURE: 4324600 -187.66 -8.62236 43.3858 -8.62265 -217.13 252.674 43.3858 252.673 -188.264 GPRESSURE: 4324600 -135.26 -95.904 -26.3781 -0.888857 -131.278 271.623 140.595 102.848 -243.833 PRESSAVG: 4324600 -16.4584 9.57152 -23.1101 9.57155 12.0988 41.2772 -23.11 41.2772 -18.1208 GPRESSAVG: 4324600 -15.4017 9.09367 -24.9794 9.31914 11.3551 42.1147 -21.7167 38.4636 -17.5217 TIMING: 4324600 CPU: 13984, 0.00315264/step Wall: 13984, 0.00315264/step, 0.59147 hours remaining, 234.878906 MB of memory in use. ENERGY: 4324600 4028.7016 20690.1397 14437.5777 253.4664 -203204.1935 2079.3921 0.0000 0.0000 51740.7738 -109974.1422 297.3549 -161714.9160 -109604.4365 298.3047 -197.6845 -170.1234 760154.5082 -7.4935 -7.1894 PRESSURE: 4324800 -85.848 -76.3405 -240.567 -76.3402 217.171 -1.20969 -240.568 -1.2095 -105.41 GPRESSURE: 4324800 -43.5694 -20.6755 -227.213 -32.9753 248.996 -91.4198 -288.622 69.8908 -99.2279 PRESSAVG: 4324800 49.3708 -79.837 -37.0645 -79.8369 -27.6899 60.0388 -37.0645 60.0388 36.9105 GPRESSAVG: 4324800 49.1379 -80.1407 -37.2887 -81.5879 -27.4145 59.8677 -39.2561 59.2012 37.2078 TIMING: 4324800 CPU: 13984.6, 0.00315218/step Wall: 13984.6, 0.00315218/step, 0.591209 hours remaining, 234.878906 MB of memory in use. ENERGY: 4324800 3999.4463 20572.9240 14431.7217 263.6828 -203698.7359 2342.5463 0.0000 0.0000 52121.6932 -109966.7217 299.5441 -162088.4149 -109608.2693 298.6817 8.6378 35.3994 758270.9371 19.5305 19.6437 PRESSURE: 4325000 142.606 -191.704 -18.6661 -191.704 383.971 -78.9273 -18.6652 -78.9259 -90.1181 GPRESSURE: 4325000 193.065 -168.365 31.8135 -241.705 353.669 -37.8196 36.4169 37.1845 -14.721 PRESSAVG: 4325000 18.2432 -54.5507 -14.4012 -54.5508 5.7658 34.7662 -14.4013 34.7663 -7.44701 GPRESSAVG: 4325000 19.0477 -54.3278 -13.7511 -53.8458 4.39564 34.0469 -13.9876 36.077 -6.88099 TIMING: 4325000 CPU: 13985.3, 0.0031692/step Wall: 13985.3, 0.0031692/step, 0.594225 hours remaining, 234.878906 MB of memory in use. ENERGY: 4325000 4017.4097 20452.1088 14422.2434 252.3736 -203814.9130 2527.4048 0.0000 0.0000 52367.1155 -109776.2572 300.9545 -162143.3727 -109415.2038 299.0149 145.4862 177.3378 757084.5518 5.5207 5.5208 PRESSURE: 4325200 337.082 81.7255 92.1159 81.7261 87.6941 195.187 92.1144 195.186 87.2394 GPRESSURE: 4325200 381.117 42.8266 128.611 93.417 137.574 202.177 34.2828 227.34 69.9283 PRESSAVG: 4325200 -34.5945 10.7447 -23.6951 10.7447 -17.2597 15.9218 -23.695 15.9218 -9.72094 GPRESSAVG: 4325200 -35.7 9.57763 -23.0567 12.4453 -16.5364 16.3333 -23.6903 17.5509 -9.25488 TIMING: 4325200 CPU: 13985.9, 0.00314722/step Wall: 13985.9, 0.00314722/step, 0.58993 hours remaining, 235.132812 MB of memory in use. ENERGY: 4325200 4077.3145 20609.6867 14436.6303 246.8185 -203968.8353 2914.7400 0.0000 0.0000 52057.2807 -109626.3647 299.1739 -161683.6454 -109260.9191 299.3618 170.6719 196.2063 757754.4352 -20.5251 -20.4971 PRESSURE: 4325400 -465.501 -22.8045 98.4429 -22.8037 -523.529 -74.6187 98.4424 -74.6197 -333.674 GPRESSURE: 4325400 -399.786 13.4555 125.39 11.8062 -498.914 17.916 38.3008 -130.444 -343.453 PRESSAVG: 4325400 20.792 -19.3001 -19.5611 -19.3 -4.11707 38.6383 -19.5612 38.6382 29.8538 GPRESSAVG: 4325400 19.9033 -16.5917 -18.8485 -20.1305 -2.47638 40.1226 -22.0724 35.5472 29.0202 TIMING: 4325400 CPU: 13986.5, 0.00315681/step Wall: 13986.5, 0.00315681/step, 0.591551 hours remaining, 235.132812 MB of memory in use. ENERGY: 4325400 4058.8063 20560.3413 14472.8738 254.7583 -202921.8592 2035.2997 0.0000 0.0000 51872.2772 -109667.5026 298.1107 -161539.7798 -109295.2189 299.5222 -440.9015 -414.0511 760811.9703 15.5096 15.4824 PRESSURE: 4325600 94.9077 186.539 114.879 186.539 28.8051 158.891 114.879 158.892 103.711 GPRESSURE: 4325600 123.238 65.214 178.38 48.1204 79.2629 70.3141 -35.8387 21.1768 108.987 PRESSAVG: 4325600 -4.19736 -16.1264 40.4142 -16.1264 15.1915 9.13391 40.4142 9.13388 -12.7914 GPRESSAVG: 4325600 -3.9248 -18.8665 38.052 -15.8367 14.679 7.74433 42.2564 10.4116 -12.3502 TIMING: 4325600 CPU: 13987.1, 0.00314456/step Wall: 13987.1, 0.00314456/step, 0.589081 hours remaining, 235.132812 MB of memory in use. ENERGY: 4325600 3982.4895 20542.7204 14501.3215 236.5219 -203538.9304 2490.9356 0.0000 0.0000 52182.9643 -109601.9773 299.8962 -161784.9415 -109239.3465 299.6104 75.8080 103.8291 758863.8518 -0.5991 -0.5320 PRESSURE: 4325800 49.1155 68.1682 -108.018 68.1683 250.736 13.8862 -108.018 13.8854 574.566 GPRESSURE: 4325800 61.7116 30.5749 -150.237 -36.7432 309.859 32.2211 -60.3292 -135.149 587.481 PRESSAVG: 4325800 -21.996 -37.1239 3.29304 -37.1239 -12.5312 19.2189 3.29302 19.2189 -1.57304 GPRESSAVG: 4325800 -20.3024 -32.8632 3.39247 -39.0916 -14.0429 20.3429 2.74531 17.7971 -0.922743 TIMING: 4325800 CPU: 13987.8, 0.00316723/step Wall: 13987.8, 0.00316723/step, 0.593152 hours remaining, 235.132812 MB of memory in use. ENERGY: 4325800 4033.3464 20682.3155 14436.0590 226.8543 -203544.2173 2713.5309 0.0000 0.0000 52004.4383 -109447.6731 298.8702 -161452.1114 -109100.0837 299.3018 291.4725 319.6838 760418.9099 -12.0334 -11.7560 PRESSURE: 4326000 -224.077 -102.003 119.615 -102.003 -250.521 -56.2307 119.614 -56.2296 -78.6863 GPRESSURE: 4326000 -190.974 -222.742 122.249 -162.519 -231.695 -107.956 147.142 17.6777 -59.6808 PRESSAVG: 4326000 -0.824243 -68.0909 -45.2979 -68.091 -5.91911 -23.3335 -45.298 -23.3334 5.55712 GPRESSAVG: 4326000 -2.8731 -69.9969 -44.8464 -68.5587 -4.02471 -24.1086 -41.9094 -22.8895 5.24681 TIMING: 4326000 CPU: 13988.4, 0.00316772/step Wall: 13988.4, 0.00316772/step, 0.593067 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4326000 4082.3023 20632.1249 14414.6415 262.3951 -203156.3252 2299.9985 0.0000 0.0000 52152.7990 -109312.0638 299.7229 -161464.8628 -108945.6528 299.7258 -184.4281 -160.7833 761968.4245 -0.3954 -0.5503 PRESSURE: 4326200 -74.4794 261.296 -305.693 261.296 255.981 -43.5442 -305.693 -43.544 -245.097 GPRESSURE: 4326200 32.5501 357.042 -290.048 135.93 215.374 -0.371631 -315.702 -22.1687 -237.58 PRESSAVG: 4326200 49.104 -15.7082 23.3056 -15.7083 -31.1981 -37.4906 23.3056 -37.4906 20.4263 GPRESSAVG: 4326200 50.3078 -17.7529 22.8867 -14.1429 -32.8018 -37.9148 21.407 -37.4919 19.9721 TIMING: 4326200 CPU: 13989, 0.00316249/step Wall: 13989, 0.00316249/step, 0.591912 hours remaining, 235.132812 MB of memory in use. ENERGY: 4326200 4039.3912 20589.0222 14472.2434 246.2557 -203361.6133 2461.6902 0.0000 0.0000 52057.9104 -109495.1002 299.1775 -161553.0106 -109126.3429 299.8938 -21.1984 3.4481 760653.2317 12.7774 12.4927 PRESSURE: 4326400 -324.75 -17.3235 6.51353 -17.3234 -292.131 -77.8563 6.51397 -77.8573 -93.2151 GPRESSURE: 4326400 -293.68 48.9863 5.94241 -27.5869 -293.537 -29.7141 61.963 -64.7277 -40.2538 PRESSAVG: 4326400 33.7587 -27.098 18.5143 -27.098 8.04 -26.0473 18.5143 -26.0473 -11.2216 GPRESSAVG: 4326400 32.7323 -25.6115 18.9527 -27.6611 9.21772 -26.1644 18.8032 -24.1258 -10.8693 TIMING: 4326400 CPU: 13989.7, 0.0031335/step Wall: 13989.7, 0.0031335/step, 0.586314 hours remaining, 235.132812 MB of memory in use. ENERGY: 4326400 4021.9128 20491.6384 14433.3276 246.1787 -203445.5695 2399.3310 0.0000 0.0000 52270.7005 -109582.4805 300.4004 -161853.1809 -109217.3745 299.7091 -236.6988 -209.1567 760371.5493 10.1924 10.3602 PRESSURE: 4326600 -31.8312 -183.805 1.93634 -183.805 -14.1542 210.478 1.93744 210.476 -328.319 GPRESSURE: 4326600 106.703 -146.458 -80.8196 -288.133 -115.238 163.681 -22.7684 184.406 -242.771 PRESSAVG: 4326600 22.5914 -59.4856 52.3948 -59.4856 -13.5117 -43.9933 52.3948 -43.9933 19.4768 GPRESSAVG: 4326600 23.1694 -60.8735 52.1881 -60.1095 -13.3336 -43.0541 51.9709 -47.1076 18.8884 TIMING: 4326600 CPU: 13990.3, 0.00314318/step Wall: 13990.3, 0.00314318/step, 0.587949 hours remaining, 235.132812 MB of memory in use. ENERGY: 4326600 3911.0982 20612.7164 14502.4097 242.8927 -203433.9791 2377.5521 0.0000 0.0000 51974.7249 -109812.5852 298.6995 -161787.3100 -109448.9220 299.3704 -124.7680 -83.7686 760514.7533 9.5188 9.5747 PRESSURE: 4326800 97.904 -79.4723 208.068 -79.4725 220.914 -116.726 208.068 -116.725 135.843 GPRESSURE: 4326800 171.152 -47.1383 277.743 -73.7872 248.1 -225.625 141.96 -83.0097 121.764 PRESSAVG: 4326800 32.309 3.38473 15.6443 3.38476 0.975949 15.1477 15.6443 15.1478 2.34721 GPRESSAVG: 4326800 31.0023 4.04837 16.881 4.23262 0.76062 15.9381 14.9512 15.7096 3.98629 TIMING: 4326800 CPU: 13990.9, 0.00316948/step Wall: 13990.9, 0.00316948/step, 0.592692 hours remaining, 235.148438 MB of memory in use. ENERGY: 4326800 3977.5060 20528.1189 14473.4559 224.4695 -203673.9341 2578.5916 0.0000 0.0000 52059.9011 -109831.8912 299.1890 -161891.7923 -109477.9043 299.1056 151.5537 180.3387 759206.7947 11.8774 11.9164 PRESSURE: 4327000 63.5822 -11.6379 -31.7145 -11.6379 -149.956 -167.085 -31.7147 -167.086 447.63 GPRESSURE: 4327000 86.9249 -100.508 -36.439 96.3268 -47.6079 -130.827 -25.0674 -38.281 400.084 PRESSAVG: 4327000 16.5069 -101.428 49.9155 -101.428 -5.59247 -24.9311 49.9154 -24.9312 -14.4022 GPRESSAVG: 4327000 16.7981 -101.633 48.7854 -99.3657 -4.24527 -27.1775 50.4815 -23.4879 -16.3236 TIMING: 4327000 CPU: 13991.6, 0.00317115/step Wall: 13991.6, 0.00317115/step, 0.592829 hours remaining, 235.148438 MB of memory in use. ENERGY: 4327000 3835.6817 20355.1258 14523.2496 239.7696 -203655.3828 2640.3534 0.0000 0.0000 52057.5854 -110003.6175 299.1757 -162061.2029 -109634.6343 298.7329 120.4186 146.4669 759780.2419 -1.1626 -1.2569 PRESSURE: 4327200 -87.2145 24.3091 -6.66865 24.3092 -206.59 -169.905 -6.66859 -169.903 43.9564 GPRESSURE: 4327200 2.01655 -66.1645 -96.9176 -25.918 -203.596 -109.223 -52.5318 -197.598 41.1377 PRESSAVG: 4327200 19.2524 -49.3158 11.1043 -49.3157 8.01787 -3.90628 11.1043 -3.90627 -13.1284 GPRESSAVG: 4327200 20.1646 -49.2717 10.2494 -49.8658 7.04409 -3.03898 13.236 -5.4967 -13.0377 TIMING: 4327200 CPU: 13992.2, 0.0031618/step Wall: 13992.2, 0.0031618/step, 0.590905 hours remaining, 235.148438 MB of memory in use. ENERGY: 4327200 3948.1199 20458.6407 14432.1632 240.7727 -203324.5250 2282.4665 0.0000 0.0000 51929.1743 -110033.1876 298.4377 -161962.3620 -109673.4041 298.0296 -83.2827 -53.4805 760823.5966 4.7139 4.7236 PRESSURE: 4327400 284.707 -208.708 420.91 -208.708 212.099 -71.7669 420.91 -71.7661 74.6457 GPRESSURE: 4327400 292.033 -187.594 430.484 -182.398 256.278 -123.505 284.338 82.0693 115.854 PRESSAVG: 4327400 13.506 -68.2925 50.1365 -68.2925 0.749616 -32.0479 50.1365 -32.0479 -23.4396 GPRESSAVG: 4327400 11.8411 -67.8625 51.1377 -70.0324 0.381677 -33.3334 47.3237 -30.0909 -21.8923 TIMING: 4327400 CPU: 13992.8, 0.00314981/step Wall: 13992.8, 0.00314981/step, 0.588489 hours remaining, 235.148438 MB of memory in use. ENERGY: 4327400 3880.5461 20502.9414 14417.8457 238.1279 -203489.9858 2650.3507 0.0000 0.0000 51857.2590 -109942.9151 298.0244 -161800.1741 -109586.6175 298.4143 190.4840 221.3882 760641.5109 -3.0613 -3.2232 PRESSURE: 4327600 -169.271 -12.9537 -68.4068 -12.9529 -263.648 -355.433 -68.4064 -355.433 -255.241 GPRESSURE: 4327600 -180.295 -38.7651 -109.983 -51.6725 -247.741 -437.242 -88.8011 -203.698 -189.882 PRESSAVG: 4327600 62.7439 -23.6986 44.9665 -23.6986 -20.2958 -31.9087 44.9665 -31.9087 33.6875 GPRESSAVG: 4327600 62.4022 -22.6585 46.8459 -21.9889 -19.5467 -29.664 45.3985 -32.5576 33.1815 TIMING: 4327600 CPU: 13993.5, 0.00316483/step Wall: 13993.5, 0.00316483/step, 0.591119 hours remaining, 235.148438 MB of memory in use. ENERGY: 4327600 3956.2451 20542.5499 14482.6851 255.7344 -203487.4238 2394.9986 0.0000 0.0000 51849.0214 -110006.1893 297.9770 -161855.2107 -109646.3788 298.7489 -229.3865 -205.9725 759835.9003 25.3786 25.3456 PRESSURE: 4327800 -195.721 156.507 94.0246 156.507 -200.727 -21.07 94.0238 -21.0691 -211.42 GPRESSURE: 4327800 -165.586 166.198 199.403 212.992 -142.452 87.2685 144.042 95.9192 -226.924 PRESSAVG: 4327800 38.4138 -22.0619 -0.957072 -22.0619 -25.0395 1.61639 -0.957089 1.61629 20.6226 GPRESSAVG: 4327800 39.6288 -23.3195 -2.03502 -20.7229 -25.8904 0.357371 0.0595963 1.32631 19.8786 TIMING: 4327800 CPU: 13994.1, 0.0031682/step Wall: 13994.1, 0.0031682/step, 0.591573 hours remaining, 235.148438 MB of memory in use. ENERGY: 4327800 4022.9401 20538.5153 14484.9055 257.9571 -203469.9222 2423.3324 0.0000 0.0000 51967.1628 -109775.1090 298.6560 -161742.2718 -109422.9623 298.7649 -202.6229 -178.3205 759310.2859 11.3323 11.2057 PRESSURE: 4328000 109.851 -13.8703 -72.5382 -13.8699 13.1768 -52.2934 -72.5378 -52.295 138.838 GPRESSURE: 4328000 184.206 11.2819 -62.4303 55.3567 85.6268 -132.638 147.869 -92.3687 68.5251 PRESSAVG: 4328000 46.1414 -35.2118 13.966 -35.2118 -13.7131 0.276785 13.966 0.276784 -6.46767 GPRESSAVG: 4328000 46.7219 -35.5204 14.9737 -37.0627 -14.0855 -0.256511 13.8011 0.755721 -6.69795 TIMING: 4328000 CPU: 13994.7, 0.00315517/step Wall: 13994.7, 0.00315517/step, 0.588966 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4328000 3972.1316 20329.9572 14487.7944 275.4758 -203710.5150 2637.9008 0.0000 0.0000 52186.0431 -109821.2121 299.9139 -162007.2552 -109451.8048 298.5035 87.2887 112.7860 761306.4755 8.6535 8.6461 PRESSURE: 4328200 -218.269 53.6516 -205.735 53.6511 -460.536 -121.677 -205.735 -121.677 -227.647 GPRESSURE: 4328200 -86.3848 -9.34177 -136.487 -38.61 -470.75 -184.058 -178.005 -195.111 -247.235 PRESSAVG: 4328200 83.1097 -26.2585 0.960985 -26.2585 -67.0874 -22.3394 0.961041 -22.3394 -6.64416 GPRESSAVG: 4328200 82.8897 -26.4339 -0.204286 -26.0718 -67.7948 -21.2743 2.10381 -23.4856 -6.07735 TIMING: 4328200 CPU: 13995.4, 0.00317363/step Wall: 13995.4, 0.00317363/step, 0.592235 hours remaining, 235.148438 MB of memory in use. ENERGY: 4328200 3960.7798 20486.5484 14523.0592 243.2017 -203050.5566 2227.2787 0.0000 0.0000 51797.8844 -109811.8044 297.6832 -161609.6889 -109449.7077 298.1827 -302.1507 -268.1236 760093.8015 3.1260 3.0059 LDB: ============= START OF LOAD BALANCING ============== 14007.8 LDB: ============== END OF LOAD BALANCING =============== 14007.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14007.8 LDB: ============= START OF LOAD BALANCING ============== 14008.1 LDB: Largest compute 7066 load 0.034027 is 17.4% of average load 0.195542 LDB: Average compute 0.004401 is 2.3% of average load 0.195542 LDB: TIME 14008.1 LOAD: AVG 0.195542 MAX 0.215747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.93 MB LDB: TIME 14008.1 LOAD: AVG 0.195542 MAX 0.215747 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: TIME 14008.1 LOAD: AVG 0.195542 MAX 0.215747 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: ============== END OF LOAD BALANCING =============== 14008.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14008.1 PRESSURE: 4328400 448.365 -144.944 -91.6884 -144.944 -131.706 -20.181 -91.6879 -20.1817 -58.5524 GPRESSURE: 4328400 411.063 -183.407 -51.4972 -195.103 25.3155 49.6044 -12.4262 -80.2778 -85.4757 PRESSAVG: 4328400 28.7983 -52.2624 -48.592 -52.2624 -6.16897 -26.5936 -48.592 -26.5936 8.86204 GPRESSAVG: 4328400 27.5971 -51.3046 -48.9043 -52.865 -4.17907 -25.8535 -49.7164 -26.5908 7.73102 TIMING: 4328400 CPU: 13996, 0.00325777/step Wall: 13996, 0.00325777/step, 0.607756 hours remaining, 236.679688 MB of memory in use. ENERGY: 4328400 3958.1383 20396.1129 14476.9442 244.6635 -203610.9238 2575.7815 0.0000 0.0000 52137.6275 -109821.6559 299.6357 -161959.2834 -109449.4280 298.3358 86.0357 116.9677 760442.9995 10.4971 10.3830 PRESSURE: 4328600 -224.652 -37.83 15.8366 -37.8303 238.447 -121.86 15.8365 -121.86 -108.083 GPRESSURE: 4328600 -153.967 91.8025 119.776 -19.7061 265.426 -181.325 1.17552 -101.81 -122.363 PRESSAVG: 4328600 16.7449 6.227 -1.6429 6.22705 -1.2195 9.7126 -1.64288 9.71266 14.381 GPRESSAVG: 4328600 16.5218 6.00481 -1.88146 6.22237 -2.10003 8.6603 -2.03368 10.4613 15.5071 TIMING: 4328600 CPU: 13996.7, 0.00319079/step Wall: 13996.7, 0.00319079/step, 0.595082 hours remaining, 236.734375 MB of memory in use. ENERGY: 4328600 4007.4937 20386.9696 14523.7416 257.0709 -203407.4350 2494.8014 0.0000 0.0000 52059.8482 -109677.5097 299.1887 -161737.3579 -109326.1196 299.2461 -31.4290 -3.6344 760438.7158 9.9688 9.9763 PRESSURE: 4328800 48.7805 -130.222 -62.9721 -130.221 -211.551 128.288 -62.9726 128.286 -44.5547 GPRESSURE: 4328800 153.016 -142.082 -136.531 -67.111 -245.879 151.084 -40.2083 -55.2855 -30.2588 PRESSAVG: 4328800 29.2477 -8.42938 17.8456 -8.42937 2.6931 21.6036 17.8456 21.6036 0.339591 GPRESSAVG: 4328800 30.3478 -8.69959 18.7566 -7.91722 1.8279 21.8418 19.2948 20.5504 0.273225 TIMING: 4328800 CPU: 13997.3, 0.00320399/step Wall: 13997.3, 0.00320399/step, 0.597366 hours remaining, 236.808594 MB of memory in use. ENERGY: 4328800 4029.8553 20442.5010 14383.1223 260.1485 -203215.3346 2441.8407 0.0000 0.0000 52094.6881 -109563.1787 299.3889 -161657.8668 -109204.7399 299.3552 -69.1084 -41.0407 760368.4202 10.7601 10.8163 PRESSURE: 4329000 -18.4276 -112.31 -288.51 -112.31 -59.914 73.3269 -288.51 73.3274 -127.466 GPRESSURE: 4329000 -5.25161 -86.2167 -302.816 -209.594 -12.1876 45.8 -366.74 70.0401 -92.4264 PRESSAVG: 4329000 -6.30095 -55.2047 25.5339 -55.2046 -32.1981 -3.90923 25.534 -3.90913 10.129 GPRESSAVG: 4329000 -7.34966 -55.0495 26.0004 -57.1499 -31.835 -2.0696 23.2388 -4.40997 11.247 TIMING: 4329000 CPU: 13997.9, 0.00320306/step Wall: 13997.9, 0.00320306/step, 0.597016 hours remaining, 236.808594 MB of memory in use. ENERGY: 4329000 4007.1717 20345.4512 14411.6270 281.9168 -203453.0997 2629.4198 0.0000 0.0000 52117.4396 -109660.0737 299.5196 -161777.5133 -109299.1567 298.5800 -68.6026 -36.6219 761331.3774 -9.4567 -9.3126 PRESSURE: 4329200 -49.4093 278.184 89.8639 278.184 64.7096 118.294 89.8645 118.295 53.8465 GPRESSURE: 4329200 38.0512 271.427 72.029 305.297 84.7445 72.0605 21.785 23.3619 28.9355 PRESSAVG: 4329200 91.628 29.7723 11.7546 29.7723 -103.066 -36.5118 11.7546 -36.5117 -6.96961 GPRESSAVG: 4329200 91.9048 29.3348 11.8575 31.9554 -102.652 -38.496 12.5869 -34.8935 -7.42667 TIMING: 4329200 CPU: 13998.6, 0.00316981/step Wall: 13998.6, 0.00316981/step, 0.590641 hours remaining, 236.808594 MB of memory in use. ENERGY: 4329200 3978.1475 20478.9698 14452.7058 256.2905 -203644.9151 2544.9899 0.0000 0.0000 52441.8511 -109491.9606 301.3840 -161933.8117 -109118.3217 299.4462 23.0489 50.5771 760210.5780 -6.1357 -6.0581 PRESSURE: 4329400 -177.769 -232.769 0.639217 -232.769 -334.398 -414.059 0.638897 -414.06 -138.802 GPRESSURE: 4329400 -147.63 -160.918 -34.5433 -208.798 -260.998 -425.418 -0.277675 -364.818 -139.365 PRESSAVG: 4329400 71.751 -16.5003 38.8376 -16.5003 -48.1687 -65.8392 38.8376 -65.8392 26.011 GPRESSAVG: 4329400 72.6296 -17.0259 38.1997 -17.6025 -48.7505 -65.8853 37.2496 -66.7037 25.376 TIMING: 4329400 CPU: 13999.2, 0.00316937/step Wall: 13999.2, 0.00316937/step, 0.590384 hours remaining, 236.808594 MB of memory in use. ENERGY: 4329400 4015.8220 20504.2192 14452.2053 240.2695 -203274.2775 2267.9761 0.0000 0.0000 52059.8539 -109733.9315 299.1887 -161793.7854 -109380.5833 299.0211 -216.9897 -182.6641 760334.4076 16.5311 16.4183 PRESSURE: 4329600 140.21 -91.5136 -50.8474 -91.5127 53.572 201.831 -50.848 201.832 311.638 GPRESSURE: 4329600 93.7587 -41.308 20.7319 -100.882 41.8302 104.865 -17.8464 248.546 453.637 PRESSAVG: 4329600 -15.0236 -30.9896 5.10911 -30.9896 41.9978 19.7418 5.10916 19.7418 -8.04044 GPRESSAVG: 4329600 -17.0344 -29.708 5.669 -32.1287 43.6295 21.0668 7.19336 22.7128 -8.62255 TIMING: 4329600 CPU: 13999.8, 0.00317798/step Wall: 13999.8, 0.00317798/step, 0.591811 hours remaining, 236.808594 MB of memory in use. ENERGY: 4329600 3985.9112 20491.6523 14398.6526 257.3906 -203686.0824 2576.5749 0.0000 0.0000 52179.6156 -109796.2851 299.8770 -161975.9007 -109432.4419 298.8613 168.4733 196.4087 760359.5304 6.3112 5.9908 PRESSURE: 4329800 310.827 -0.64923 27.7705 -0.649189 25.4018 148.813 27.7713 148.813 -210.479 GPRESSURE: 4329800 328.2 6.96808 -5.27089 18.9772 40.4241 153.12 -60.1133 28.614 -153.394 PRESSAVG: 4329800 32.7922 8.44909 45.1265 8.4491 -28.2779 71.3045 45.1266 71.3045 -21.9423 GPRESSAVG: 4329800 34.5861 7.78187 43.1963 11.6102 -29.6538 70.7319 44.1974 68.9007 -21.8114 TIMING: 4329800 CPU: 14000.5, 0.00316782/step Wall: 14000.5, 0.00316782/step, 0.589742 hours remaining, 236.820312 MB of memory in use. ENERGY: 4329800 3948.8424 20604.4352 14388.2200 245.5229 -203551.2485 2646.9179 0.0000 0.0000 51991.7752 -109725.5349 298.7974 -161717.3101 -109361.7272 298.5259 41.9169 71.7430 759505.0887 -5.8093 -5.6264 PRESSURE: 4330000 -249.533 162.433 146.561 162.433 21.8467 -59.269 146.561 -59.2692 -750.578 GPRESSURE: 4330000 -199.184 178.606 114.968 140.531 33.4759 -145.445 239.945 9.00317 -731.251 PRESSAVG: 4330000 37.4233 28.4902 40.1673 28.4902 -1.69796 34.2127 40.1674 34.2127 21.0577 GPRESSAVG: 4330000 36.8479 28.812 41.2774 28.1414 -1.78068 32.9418 41.9917 34.6181 22.1819 TIMING: 4330000 CPU: 14001.1, 0.0031294/step Wall: 14001.1, 0.0031294/step, 0.582416 hours remaining, 236.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4330000 3989.2392 20386.9998 14402.8177 253.4006 -203386.6812 2358.3247 0.0000 0.0000 52113.8264 -109882.0726 299.4989 -161995.8991 -109520.7910 298.9221 -326.0879 -298.9862 760219.0817 18.9277 19.0830 PRESSURE: 4330200 -20.0285 -204.084 50.6821 -204.085 -153.089 -47.9959 50.6815 -47.9951 -226.056 GPRESSURE: 4330200 18.0051 -224.012 124.677 -189.279 -93.4265 -31.0576 7.78889 142.453 -238.401 PRESSAVG: 4330200 5.73261 -5.09221 28.2121 -5.09222 -32.5048 -3.6029 28.2121 -3.60288 11.6865 GPRESSAVG: 4330200 5.13966 -6.57244 28.1696 -5.10658 -31.0987 -1.61091 28.3085 -3.50159 10.764 TIMING: 4330200 CPU: 14001.7, 0.00319241/step Wall: 14001.7, 0.00319241/step, 0.593965 hours remaining, 236.808594 MB of memory in use. ENERGY: 4330200 4012.8562 20361.8421 14436.8985 242.5836 -203236.4859 2430.6118 0.0000 0.0000 52094.1696 -109657.5240 299.3859 -161751.6936 -109294.0928 298.8831 -133.0580 -104.6074 760492.5816 -5.0286 -5.0650 PRESSURE: 4330400 -198.323 -6.31751 66.7707 -6.31725 174.847 -181.433 66.7712 -181.433 185.804 GPRESSURE: 4330400 -104.153 5.2968 19.6723 94.4874 234.807 -224.106 136.959 -85.9649 134.057 PRESSAVG: 4330400 -10.4581 4.43032 2.70183 4.43037 20.9126 -12.3458 2.70187 -12.3459 12.0064 GPRESSAVG: 4330400 -10.2472 4.61333 4.22534 3.15307 20.4873 -12.4962 1.24321 -13.7243 12.0212 TIMING: 4330400 CPU: 14002.4, 0.00315975/step Wall: 14002.4, 0.00315975/step, 0.587713 hours remaining, 236.808594 MB of memory in use. ENERGY: 4330400 3943.0633 20461.7334 14422.8822 254.4236 -203243.0375 2388.7239 0.0000 0.0000 52097.7931 -109674.4180 299.4067 -161772.2111 -109311.1436 299.4972 54.1090 88.2370 759892.2216 7.4870 7.4204 PRESSURE: 4330600 336.119 -0.334327 -152.444 -0.334439 187.411 -26.6252 -152.444 -26.625 205.501 GPRESSURE: 4330600 350.417 -53.108 -95.4799 -16.2388 235.811 -17.5583 -58.2215 -30.1749 218.397 PRESSAVG: 4330600 61.3594 4.39258 -6.57464 4.39258 -11.4729 24.2326 -6.57458 24.2325 17.3071 GPRESSAVG: 4330600 62.045 4.6426 -7.35731 5.07119 -11.4494 23.2772 -5.07685 26.1697 17.037 TIMING: 4330600 CPU: 14003, 0.00313855/step Wall: 14003, 0.00313855/step, 0.583596 hours remaining, 236.808594 MB of memory in use. ENERGY: 4330600 4051.6669 20499.9979 14443.0070 255.3413 -203375.6193 2537.0339 0.0000 0.0000 51797.2540 -109791.3183 297.6795 -161588.5724 -109438.1989 299.0689 243.0104 268.2082 760006.0077 22.3978 22.5442 PRESSURE: 4330800 409.003 112.708 25.1123 112.708 43.3986 -19.3952 25.1115 -19.3953 22.6756 GPRESSURE: 4330800 446.234 -1.0972 40.2502 149.239 93.9242 -0.438683 20.7913 25.7501 15.7165 PRESSAVG: 4330800 20.939 3.37529 1.21376 3.37534 12.5757 86.5036 1.21381 86.5036 6.99201 GPRESSAVG: 4330800 19.1943 4.18392 -0.302545 3.54318 13.2817 87.5704 2.31024 85.5658 8.14609 TIMING: 4330800 CPU: 14003.6, 0.00315729/step Wall: 14003.6, 0.00315729/step, 0.586906 hours remaining, 236.820312 MB of memory in use. ENERGY: 4330800 3987.6892 20632.6912 14411.4387 237.0244 -203783.1373 2797.2149 0.0000 0.0000 51802.6415 -109914.4373 297.7105 -161717.0788 -109560.0846 298.7072 158.3591 185.2916 759709.2713 13.5022 13.5407 PRESSURE: 4331000 -323.769 25.3149 133.207 25.3145 -204.592 183.869 133.208 183.87 151.258 GPRESSURE: 4331000 -356.093 -13.1966 84.6598 -2.59707 -111.333 48.0722 -4.01087 69.4974 168.076 PRESSAVG: 4331000 49.4512 -6.57263 -5.99831 -6.5726 -35.7517 57.0493 -5.99834 57.0493 -26.2568 GPRESSAVG: 4331000 50.726 -8.4424 -5.11663 -5.06635 -36.6979 56.2117 -7.71262 58.2588 -26.6208 TIMING: 4331000 CPU: 14004.3, 0.00317168/step Wall: 14004.3, 0.00317168/step, 0.589404 hours remaining, 236.820312 MB of memory in use. ENERGY: 4331000 4025.5805 20676.8785 14394.4356 267.4098 -203591.2475 2341.3627 0.0000 0.0000 52163.1636 -109722.4169 299.7824 -161885.5805 -109366.4422 298.5473 -125.7010 -99.7833 760191.2520 -4.1858 -4.1975 PRESSURE: 4331200 116.885 30.7988 214.224 30.7983 -328.388 125.179 214.224 125.178 -222.074 GPRESSURE: 4331200 15.58 9.71923 150.731 -80.1352 -160.429 107.596 134.03 125.146 -212.519 PRESSAVG: 4331200 37.5015 9.30003 9.76747 9.29996 -40.1968 46.7622 9.76747 46.7623 6.90114 GPRESSAVG: 4331200 38.7196 12.6598 10.5529 7.92318 -40.6684 46.955 9.97502 45.6505 6.2063 TIMING: 4331200 CPU: 14004.9, 0.0031753/step Wall: 14004.9, 0.0031753/step, 0.5899 hours remaining, 236.960938 MB of memory in use. ENERGY: 4331200 4060.0484 20524.7387 14452.3567 244.2211 -203894.5155 2716.6127 0.0000 0.0000 52119.7129 -109776.8249 299.5327 -161896.5378 -109411.2473 298.5842 -144.5255 -119.1226 760645.6951 1.4019 1.4191 PRESSURE: 4331400 -77.1026 269.954 -24.1988 269.954 -236.704 112.269 -24.199 112.27 -328.135 GPRESSURE: 4331400 -121.964 286.159 -28.9425 156.666 -145.753 20.021 30.9496 116.805 -298.029 PRESSAVG: 4331400 61.0646 30.3281 67.9842 30.3281 -31.4542 -29.099 67.9842 -29.0989 -19.2922 GPRESSAVG: 4331400 61.0724 29.8696 67.0784 29.4615 -32.078 -30.9659 68.9069 -28.0464 -18.6541 TIMING: 4331400 CPU: 14005.5, 0.00317069/step Wall: 14005.5, 0.00317069/step, 0.588868 hours remaining, 236.960938 MB of memory in use. ENERGY: 4331400 4004.3208 20574.9516 14400.6851 226.1891 -203664.7094 2383.0716 0.0000 0.0000 52233.9192 -109841.5721 300.1891 -162075.4913 -109472.0415 298.8581 -213.9807 -188.5823 759679.7498 3.4394 3.4467 PRESSURE: 4331600 -85.8222 122.679 27.708 122.678 -74.9905 -39.6119 27.707 -39.6123 -164.231 GPRESSURE: 4331600 33.7318 187.046 109.823 209.698 -74.1552 -8.67413 -106.98 -84.0175 -211.834 PRESSAVG: 4331600 49.479 40.0213 -33.583 40.0213 -27.1727 6.95692 -33.5831 6.95684 -7.28814 GPRESSAVG: 4331600 49.5176 38.9747 -33.1218 39.5174 -26.1327 8.44335 -34.376 6.55818 -8.01784 TIMING: 4331600 CPU: 14006.2, 0.00317119/step Wall: 14006.2, 0.00317119/step, 0.588785 hours remaining, 236.960938 MB of memory in use. ENERGY: 4331600 4029.8053 20497.8889 14386.4801 241.0081 -203487.9817 2574.4966 0.0000 0.0000 51960.7647 -109797.5380 298.6192 -161758.3027 -109446.1222 299.2665 -108.3480 -84.0858 759311.7166 5.0061 5.1223 PRESSURE: 4331800 43.5747 141.232 97.2767 141.231 6.6701 -50.6318 97.2774 -50.6318 -108.336 GPRESSURE: 4331800 69.7893 192.577 90.8418 124.84 27.4485 -81.1084 208.498 -1.99991 -67.872 PRESSAVG: 4331800 46.2433 25.1435 19.6898 25.1436 -41.7874 -44.849 19.6898 -44.8491 -13.2316 GPRESSAVG: 4331800 45.8812 24.666 20.1248 23.1798 -41.5792 -44.8183 19.3483 -45.8952 -13.0596 TIMING: 4331800 CPU: 14006.8, 0.00316575/step Wall: 14006.8, 0.00316576/step, 0.587599 hours remaining, 236.960938 MB of memory in use. ENERGY: 4331800 3895.0654 20669.4804 14372.9606 244.9468 -203105.2852 2162.2233 0.0000 0.0000 52090.2080 -109670.4006 299.3631 -161760.6086 -109312.0869 299.1236 -19.3636 9.7886 760333.0225 -2.9252 -2.9192 PRESSURE: 4332000 140.164 27.2309 -234.674 27.2303 -223.845 108.469 -234.673 108.469 302.748 GPRESSURE: 4332000 144.858 -9.25094 -188.235 41.7974 -126.195 120.555 -200.435 55.8454 288.576 PRESSAVG: 4332000 67.7169 34.7751 -3.82907 34.7751 -68.924 -25.9514 -3.82899 -25.9514 -8.92373 GPRESSAVG: 4332000 66.7551 35.379 -4.47435 36.0659 -68.286 -24.2448 -2.32995 -26.9566 -9.28153 TIMING: 4332000 CPU: 14007.4, 0.00316806/step Wall: 14007.4, 0.00316806/step, 0.587851 hours remaining, 236.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4332000 3941.2539 20423.4273 14400.1421 241.2645 -203188.9142 2299.3372 0.0000 0.0000 52239.1252 -109644.3640 300.2190 -161883.4892 -109290.9177 299.1516 73.0223 102.4127 759737.7111 -3.3769 -3.6041 PRESSURE: 4332200 -237.701 87.1297 -2.70114 87.1298 68.8068 29.1401 -2.70084 29.1407 141.248 GPRESSURE: 4332200 -130.763 -2.54449 0.697758 95.693 76.5543 100.357 -23.5678 153.438 110.196 PRESSAVG: 4332200 0.610531 13.6263 -25.5438 13.6263 -6.98978 5.33147 -25.5438 5.33153 3.1999 GPRESSAVG: 4332200 3.04069 13.7962 -26.6413 14.132 -9.36294 5.02589 -25.0702 6.23353 3.33688 TIMING: 4332200 CPU: 14008.1, 0.00313646/step Wall: 14008.1, 0.00313646/step, 0.581813 hours remaining, 236.960938 MB of memory in use. ENERGY: 4332200 3951.9115 20400.4371 14404.0638 234.1619 -202964.0616 2399.0200 0.0000 0.0000 51919.2431 -109655.2242 298.3806 -161574.4673 -109295.2426 299.2681 -9.2154 18.6623 760681.8882 -1.0598 -0.9951 LDB: ============= START OF LOAD BALANCING ============== 14020.5 LDB: ============== END OF LOAD BALANCING =============== 14020.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14020.5 LDB: ============= START OF LOAD BALANCING ============== 14020.8 LDB: Largest compute 7034 load 0.031466 is 16.1% of average load 0.195499 LDB: Average compute 0.004401 is 2.3% of average load 0.195499 LDB: TIME 14020.8 LOAD: AVG 0.195499 MAX 0.214065 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 14020.8 LOAD: AVG 0.195499 MAX 0.214065 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 14020.8 LOAD: AVG 0.195499 MAX 0.214065 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 14020.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14020.8 PRESSURE: 4332400 -245.661 -137.384 -83.9426 -137.384 -194.797 -80.284 -83.9416 -80.2836 -298.942 GPRESSURE: 4332400 -309.074 -226.702 -103.644 -91.8022 -64.0471 -145.089 -102.341 -99.7804 -261.221 PRESSAVG: 4332400 35.5486 -14.7506 0.0430533 -14.7506 -19.1223 -8.56291 0.0430338 -8.56296 -26.6664 GPRESSAVG: 4332400 32.4258 -15.6543 0.988492 -14.1118 -17.1158 -9.12514 -1.14249 -7.7971 -25.2944 TIMING: 4332400 CPU: 14008.7, 0.00320854/step Wall: 14008.7, 0.00320854/step, 0.595006 hours remaining, 235.324219 MB of memory in use. ENERGY: 4332400 4077.9806 20463.3455 14409.8475 254.2052 -203018.5834 2186.4383 0.0000 0.0000 52159.4289 -109467.3373 299.7610 -161626.7662 -109106.3299 299.9398 -246.4666 -211.4474 760676.7387 -3.4134 -3.3281 PRESSURE: 4332600 -218.559 -21.7907 -28.6274 -21.79 44.4599 -78.2217 -28.628 -78.2211 -119.991 GPRESSURE: 4332600 -47.7459 -47.5795 -148.301 -51.591 -28.7843 -67.7145 70.995 93.5288 -148.124 PRESSAVG: 4332600 27.5862 -22.5225 12.7349 -22.5225 5.83559 -16.4942 12.7349 -16.4942 19.3761 GPRESSAVG: 4332600 29.9645 -22.3265 13.3185 -20.9076 4.45812 -17.2328 13.2102 -15.9617 18.6061 TIMING: 4332600 CPU: 14009.3, 0.00315693/step Wall: 14009.3, 0.00315693/step, 0.58526 hours remaining, 235.523438 MB of memory in use. ENERGY: 4332600 3954.8690 20415.6662 14434.9483 242.4766 -202832.1609 2161.7424 0.0000 0.0000 51944.8941 -109677.5643 298.5280 -161622.4584 -109318.4879 299.5976 -98.0302 -74.8846 758887.4134 17.5993 17.6762 PRESSURE: 4332800 91.5681 96.8572 -174.087 96.8562 109.247 124.262 -174.088 124.261 113.178 GPRESSURE: 4332800 145.839 67.9802 -192.562 1.60495 110.806 213.187 -39.5802 135.949 124.916 PRESSAVG: 4332800 33.4143 -11.2251 5.84627 -11.2251 -36.1155 -40.5863 5.84629 -40.5863 2.02851 GPRESSAVG: 4332800 32.7471 -11.3562 6.23797 -12.47 -35.6853 -40.2273 4.61725 -41.149 2.15808 TIMING: 4332800 CPU: 14010, 0.00314183/step Wall: 14010, 0.00314183/step, 0.582286 hours remaining, 235.578125 MB of memory in use. ENERGY: 4332800 3963.6140 20393.9522 14444.8158 241.4271 -203236.8949 2617.6621 0.0000 0.0000 51930.8711 -109644.5527 298.4474 -161575.4238 -109292.6597 299.2861 104.6642 127.1868 760718.1240 -0.2242 -0.2600 PRESSURE: 4333000 6.79879 9.32102 -95.9948 9.32127 -39.7923 -252.498 -95.9947 -252.499 112.621 GPRESSURE: 4333000 109.685 -69.2598 -157.64 -62.793 -30.181 -273.049 -76.4676 -322.859 87.5293 PRESSAVG: 4333000 -6.5696 0.857235 -60.3636 0.857244 4.72181 -8.93685 -60.3636 -8.93688 21.7859 GPRESSAVG: 4333000 -6.35666 0.669757 -60.6991 -0.880234 4.10336 -9.42795 -58.3113 -9.73032 22.5866 TIMING: 4333000 CPU: 14010.6, 0.00314977/step Wall: 14010.6, 0.00314977/step, 0.583582 hours remaining, 235.648438 MB of memory in use. ENERGY: 4333000 3979.0506 20372.4541 14394.3534 257.0575 -203206.2700 2410.2871 0.0000 0.0000 52058.4669 -109734.6005 299.1807 -161793.0674 -109384.4509 298.5967 26.5426 55.6779 761399.5632 6.6461 6.7778 PRESSURE: 4333200 -433.738 -236.521 -1.10164 -236.522 -23.1433 -194.225 -1.10083 -194.225 -41.026 GPRESSURE: 4333200 -371.054 -277.816 -9.87967 -196.653 29.1 -184.162 98.1908 -77.8692 -59.0911 PRESSAVG: 4333200 -39.5038 -65.4456 -2.1912 -65.4455 95.7269 -27.946 -2.19114 -27.9461 -33.9341 GPRESSAVG: 4333200 -39.1568 -65.5189 -3.60083 -64.055 96.0435 -28.1872 -2.92465 -29.0915 -34.4506 TIMING: 4333200 CPU: 14011.2, 0.00317715/step Wall: 14011.2, 0.00317715/step, 0.588478 hours remaining, 235.648438 MB of memory in use. ENERGY: 4333200 4063.5276 20274.9175 14453.5417 211.2425 -202915.8572 2248.4705 0.0000 0.0000 51793.8864 -109870.2711 297.6602 -161664.1575 -109505.1303 298.3649 -165.9691 -133.6817 762555.2012 7.4297 7.4787 PRESSURE: 4333400 101.027 41.2685 52.8071 41.2684 -133.923 40.4242 52.8069 40.4244 -859.171 GPRESSURE: 4333400 73.6982 9.9292 30.2473 51.8464 -93.225 99.8013 151.478 75.2565 -782.404 PRESSAVG: 4333400 3.10786 -39.8544 33.1497 -39.8544 13.6399 -23.1674 33.1498 -23.1675 13.052 GPRESSAVG: 4333400 3.39073 -39.8388 33.6144 -39.5593 13.2809 -22.0771 31.5018 -21.4383 13.183 TIMING: 4333400 CPU: 14011.9, 0.00318486/step Wall: 14011.9, 0.00318486/step, 0.589731 hours remaining, 235.648438 MB of memory in use. ENERGY: 4333400 3982.9604 20390.9543 14410.8780 263.7368 -203012.0420 2041.2058 0.0000 0.0000 52117.8834 -109804.4233 299.5222 -161922.3067 -109444.7566 298.6534 -297.3557 -267.3102 759383.1463 9.9332 9.9515 PRESSURE: 4333600 -228.01 -138.447 63.667 -138.448 -66.2139 -445.792 63.666 -445.791 16.6131 GPRESSURE: 4333600 -110.712 -92.1468 69.0563 -51.2733 -72.7847 -396.391 1.20505 -481.645 -8.45356 PRESSAVG: 4333600 56.8269 2.12055 33.2011 2.12054 -43.1584 -33.1871 33.2011 -33.1871 24.0213 GPRESSAVG: 4333600 56.3345 2.69569 33.5951 2.58588 -43.9757 -32.8563 34.5872 -34.3502 24.7992 TIMING: 4333600 CPU: 14012.5, 0.00317313/step Wall: 14012.5, 0.00317313/step, 0.587382 hours remaining, 235.648438 MB of memory in use. ENERGY: 4333600 3975.8494 20196.5887 14389.1897 245.1518 -203476.9023 2482.0629 0.0000 0.0000 52189.6912 -109998.3686 299.9349 -162188.0598 -109627.7617 298.9387 -92.5370 -63.9835 760359.1033 12.5633 12.3860 PRESSURE: 4333800 4.70222 10.4773 55.1268 10.4782 -199.32 69.9962 55.1268 69.9971 -280.704 GPRESSURE: 4333800 -57.7298 124.617 10.4227 38.7855 -102.104 1.58488 41.5694 123.039 -224.303 PRESSAVG: 4333800 3.57086 -22.9431 18.1843 -22.9431 -29.675 -53.4916 18.1843 -53.4916 -3.21219 GPRESSAVG: 4333800 2.37882 -21.0217 18.1135 -25.7089 -27.8424 -52.7599 17.7311 -53.5631 -3.61617 TIMING: 4333800 CPU: 14013.1, 0.00312311/step Wall: 14013.1, 0.00312311/step, 0.577949 hours remaining, 235.648438 MB of memory in use. ENERGY: 4333800 4006.5885 20409.3508 14337.7830 235.1626 -203187.6832 2341.4687 0.0000 0.0000 52076.6290 -109780.7006 299.2851 -161857.3296 -109414.7350 298.9932 -158.4405 -128.0459 762084.9418 -9.7721 -9.6932 PRESSURE: 4334000 -382.54 138.68 -22.2106 138.68 -135.118 -124.747 -22.2095 -124.747 -172.587 GPRESSURE: 4334000 -260.246 91.5029 -58.9777 72.6506 -160.525 -102.107 -82.6013 -103.497 -171.31 PRESSAVG: 4334000 -17.8081 11.0402 31.4885 11.0402 -15.82 -2.24083 31.4885 -2.24087 -51.0646 GPRESSAVG: 4334000 -15.822 9.21239 30.6392 12.1983 -17.3164 -3.25 31.5099 -0.393489 -51.4479 TIMING: 4334000 CPU: 14013.8, 0.0031675/step Wall: 14013.8, 0.0031675/step, 0.585987 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4334000 4046.3944 20517.8333 14434.6817 259.4640 -203269.9974 2310.9115 0.0000 0.0000 51891.4667 -109809.2458 298.2210 -161700.7125 -109449.1408 298.7064 -230.0816 -197.3603 760590.8203 -28.2309 -28.1954 PRESSURE: 4334200 357.329 81.5726 111.562 81.5737 -69.8751 -33.6504 111.562 -33.65 -95.3202 GPRESSURE: 4334200 406.382 6.13818 132.755 59.702 -17.3279 -17.7744 59.7107 -8.98379 -99.0272 PRESSAVG: 4334200 11.8545 -42.1457 26.2679 -42.1457 -48.1668 -8.19935 26.2679 -8.19928 -8.09088 GPRESSAVG: 4334200 11.3035 -42.9511 26.6592 -43.5579 -47.8566 -8.63027 25.9385 -7.99273 -7.98168 TIMING: 4334200 CPU: 14014.4, 0.00316082/step Wall: 14014.4, 0.00316082/step, 0.584576 hours remaining, 235.718750 MB of memory in use. ENERGY: 4334200 3948.9206 20415.7369 14459.9244 246.7949 -203716.0479 2681.7914 0.0000 0.0000 52119.4415 -109843.4382 299.5311 -161962.8797 -109476.9091 298.7759 64.0445 96.6755 759685.3466 -14.8010 -14.8449 PRESSURE: 4334400 -364.785 51.2161 -40.5716 51.2176 -401.738 -113.136 -40.5715 -113.138 -380.303 GPRESSURE: 4334400 -325.429 66.1512 -34.698 1.61351 -318.009 -58.3388 -3.49417 -208.988 -401.605 PRESSAVG: 4334400 4.61536 -23.792 48.083 -23.792 -21.1296 6.85205 48.0829 6.85203 18.3254 GPRESSAVG: 4334400 6.53287 -24.368 47.777 -19.9532 -22.1566 9.5296 47.1565 5.32363 16.9898 TIMING: 4334400 CPU: 14015, 0.00314385/step Wall: 14015, 0.00314385/step, 0.581263 hours remaining, 235.718750 MB of memory in use. ENERGY: 4334400 4019.2006 20373.7904 14462.9428 219.3224 -203479.4068 2552.8685 0.0000 0.0000 52125.7322 -109725.5500 299.5673 -161851.2822 -109364.6634 298.8738 -382.2753 -348.3478 761272.4752 0.6037 0.4553 PRESSURE: 4334600 46.83 -276.459 10.1243 -276.458 188.71 -142.649 10.1247 -142.65 -166.813 GPRESSURE: 4334600 108.979 -219.048 33.1106 -321.121 195.138 -52.1349 -47.5941 -82.949 -134.525 PRESSAVG: 4334600 -23.2579 -33.6632 70.0569 -33.6633 -8.81348 -24.0829 70.0568 -24.0829 -16.4652 GPRESSAVG: 4334600 -25.1061 -33.2173 70.8998 -34.804 -8.33024 -25.5317 70.7325 -26.2171 -14.8514 TIMING: 4334600 CPU: 14015.6, 0.0031252/step Wall: 14015.6, 0.0031252/step, 0.577641 hours remaining, 235.718750 MB of memory in use. ENERGY: 4334600 3991.0396 20446.1478 14503.7411 252.7901 -203234.4109 2402.7441 0.0000 0.0000 51956.5252 -109681.4229 298.5949 -161637.9481 -109321.1213 298.7528 22.9090 56.5309 760771.7680 -16.1788 -16.0959 PRESSURE: 4334800 -42.3263 199.775 -93.7424 199.774 -97.4915 -99.2215 -93.7426 -99.2225 -104.514 GPRESSURE: 4334800 -85.119 -17.3308 -18.2618 74.0337 2.31758 -65.6488 -192.708 -33.9319 -70.8496 PRESSAVG: 4334800 28.8274 -59.8051 -41.0966 -59.8051 -15.2 -35.6972 -41.0966 -35.6973 -9.26074 GPRESSAVG: 4334800 27.4131 -59.487 -39.9862 -63.1357 -14.3735 -36.478 -41.4845 -33.7027 -8.58935 TIMING: 4334800 CPU: 14016.3, 0.00315498/step Wall: 14016.3, 0.00315498/step, 0.58297 hours remaining, 235.718750 MB of memory in use. ENERGY: 4334800 4027.1682 20297.6735 14482.2716 252.8776 -203563.7924 2611.0971 0.0000 0.0000 52243.1238 -109649.5808 300.2420 -161892.7046 -109284.1628 299.3369 -81.4440 -51.2170 761485.9844 1.4556 1.4834 PRESSURE: 4335000 -63.4858 -135.678 -133.326 -135.678 -110.806 17.2847 -133.325 17.2841 236.033 GPRESSURE: 4335000 -90.5598 -66.5697 -91.1314 -173.326 -152.378 96.6517 -170.733 -54.5046 376.914 PRESSAVG: 4335000 54.5515 -52.3251 -34.8145 -52.3251 -68.6965 27.2209 -34.8145 27.221 -3.50645 GPRESSAVG: 4335000 55.8934 -53.8879 -35.984 -51.7435 -68.7367 27.2572 -35.2424 26.1046 -4.67121 TIMING: 4335000 CPU: 14016.9, 0.00313644/step Wall: 14016.9, 0.00313644/step, 0.579369 hours remaining, 235.718750 MB of memory in use. ENERGY: 4335000 3962.4649 20357.7179 14384.3467 257.9900 -203095.2941 2505.9261 0.0000 0.0000 51791.7688 -109835.0798 297.6480 -161626.8486 -109466.4020 298.5615 20.5804 44.6586 761919.6851 -5.8838 -5.8381 PRESSURE: 4335200 -242.811 24.4145 -63.1694 24.4139 -137.099 -48.2984 -63.1697 -48.2977 -77.3184 GPRESSURE: 4335200 -185.773 3.16922 -37.0207 29.6278 -46.8883 -47.9651 -51.9632 -53.4663 -128.716 PRESSAVG: 4335200 -2.10982 -24.667 -8.06187 -24.667 -21.0554 10.8941 -8.06194 10.8941 -11.3178 GPRESSAVG: 4335200 -1.25162 -22.4616 -7.08743 -24.5386 -21.8512 11.1514 -8.92501 11.4154 -11.9836 TIMING: 4335200 CPU: 14017.5, 0.0031423/step Wall: 14017.5, 0.0031423/step, 0.580278 hours remaining, 235.718750 MB of memory in use. ENERGY: 4335200 3964.4863 20447.3590 14486.9417 242.8683 -203631.1728 2791.7229 0.0000 0.0000 51853.9613 -109843.8333 298.0054 -161697.7946 -109480.3007 298.3232 -152.4095 -120.4589 760555.5142 -11.4943 -11.6955 PRESSURE: 4335400 70.3595 -3.26888 32.3083 -3.26845 316.456 -73.0337 32.3088 -73.0342 218.177 GPRESSURE: 4335400 137.328 15.9607 90.2867 32.2241 311.846 -64.1098 -162.753 28.3171 227.965 PRESSAVG: 4335400 -13.713 23.8325 42.6129 23.8325 -1.49569 33.0355 42.6129 33.0354 -4.6832 GPRESSAVG: 4335400 -13.157 23.8616 42.4975 23.7391 -3.54426 34.4424 42.7673 31.3339 -3.40603 TIMING: 4335400 CPU: 14018.2, 0.00317953/step Wall: 14018.2, 0.00317953/step, 0.586977 hours remaining, 235.718750 MB of memory in use. ENERGY: 4335400 3994.3334 20506.6846 14423.4340 240.4339 -203489.5588 2552.5150 0.0000 0.0000 52033.1701 -109738.9878 299.0353 -161772.1579 -109383.8921 298.6384 201.6641 225.7133 758897.4800 -6.6306 -6.7024 PRESSURE: 4335600 -22.0772 204.064 -19.9104 204.063 -59.7517 -57.7855 -19.9108 -57.786 231.185 GPRESSURE: 4335600 12.8553 208.332 58.3584 240.561 21.4531 -28.0136 -47.0463 -151.358 215.566 PRESSAVG: 4335600 58.2287 -12.3201 21.9375 -12.32 -59.2431 -12.7522 21.9375 -12.7522 15.3102 GPRESSAVG: 4335600 57.4422 -11.5404 22.7532 -12.9241 -58.5759 -14.5434 21.1023 -9.74572 15.0291 TIMING: 4335600 CPU: 14018.8, 0.00315636/step Wall: 14018.8, 0.00315636/step, 0.582523 hours remaining, 235.718750 MB of memory in use. ENERGY: 4335600 3992.7970 20495.1059 14372.5791 245.3716 -203435.8184 2287.6270 0.0000 0.0000 52181.7582 -109860.5797 299.8893 -162042.3378 -109499.8451 299.0624 49.7853 83.2915 759449.3772 4.7653 4.6318 PRESSURE: 4335800 -105.282 -107.958 -92.4378 -107.96 139.606 86.1258 -92.438 86.126 176.512 GPRESSURE: 4335800 -54.2735 -78.458 -12.6267 -67.5419 194.921 70.3698 -136.732 -20.7766 134.977 PRESSAVG: 4335800 -4.32193 -4.44402 8.89967 -4.44407 -18.1296 19.9984 8.89956 19.9984 -22.8236 GPRESSAVG: 4335800 -5.28964 -5.77882 7.93466 -2.92654 -16.6134 21.4686 11.8336 19.0904 -23.4285 TIMING: 4335800 CPU: 14019.4, 0.00314728/step Wall: 14019.4, 0.00314728/step, 0.580672 hours remaining, 235.718750 MB of memory in use. ENERGY: 4335800 4008.7128 20389.4896 14402.9245 235.2508 -203385.1042 2468.3749 0.0000 0.0000 51930.4495 -109949.9021 298.4450 -161880.3516 -109593.8170 298.4764 70.2787 91.8747 760145.8659 -15.0917 -15.1105 PRESSURE: 4336000 243.912 -107.047 101.207 -107.047 -125.276 37.1062 101.207 37.1066 33.6307 GPRESSURE: 4336000 319.287 -25.8618 48.5585 -41.0334 -172.395 -14.6487 100.459 3.46446 94.3023 PRESSAVG: 4336000 39.7004 18.0118 30.7809 18.0117 -43.8762 -38.438 30.7808 -38.4379 -13.6474 GPRESSAVG: 4336000 40.0977 17.4212 28.3987 16.4217 -44.3264 -38.693 30.518 -38.7282 -13.6813 TIMING: 4336000 CPU: 14020.1, 0.00312053/step Wall: 14020.1, 0.00312053/step, 0.575564 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4336000 3910.2803 20536.6129 14387.2374 240.8047 -203081.4846 2447.0413 0.0000 0.0000 51851.9730 -109707.5350 297.9940 -161559.5080 -109351.9168 298.8678 50.7556 80.3980 760785.9883 -5.9411 -5.9700 PRESSURE: 4336200 81.0715 124.725 -22.3559 124.725 175.859 93.8103 -22.3558 93.8117 -149.708 GPRESSURE: 4336200 78.3469 95.2801 4.39795 223.079 156.202 121.547 95.6015 -57.0162 -47.6387 PRESSAVG: 4336200 -1.58494 -9.40992 -25.682 -9.4099 9.28315 -19.6609 -25.682 -19.6609 21.6598 GPRESSAVG: 4336200 -1.70799 -7.7179 -24.5749 -9.26765 9.23652 -19.9273 -24.9913 -20.6097 21.7006 TIMING: 4336200 CPU: 14020.7, 0.00313288/step Wall: 14020.7, 0.00313288/step, 0.577669 hours remaining, 235.718750 MB of memory in use. ENERGY: 4336200 3975.8389 20407.5810 14421.8493 261.7782 -203354.2785 2385.1193 0.0000 0.0000 52298.9119 -109603.1998 300.5626 -161902.1117 -109246.8597 299.0908 35.7409 62.3035 759134.0834 9.7860 9.7431 LDB: ============= START OF LOAD BALANCING ============== 14033.1 LDB: ============== END OF LOAD BALANCING =============== 14033.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14033.1 LDB: ============= START OF LOAD BALANCING ============== 14033.4 LDB: Largest compute 7069 load 0.031289 is 16.0% of average load 0.195499 LDB: Average compute 0.004402 is 2.3% of average load 0.195499 LDB: TIME 14033.4 LOAD: AVG 0.195499 MAX 0.213544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.301 MB LDB: TIME 14033.4 LOAD: AVG 0.195499 MAX 0.213544 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.305 MB LDB: TIME 14033.4 LOAD: AVG 0.195499 MAX 0.213544 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.305 MB LDB: ============== END OF LOAD BALANCING =============== 14033.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14033.4 PRESSURE: 4336400 229.356 144.317 -142.201 144.317 52.5727 96.2885 -142.201 96.2881 360.38 GPRESSURE: 4336400 273.012 -23.6828 -145.714 88.7846 133.074 88.238 -36.4999 30.4463 321.322 PRESSAVG: 4336400 -29.5604 4.83507 -18.7615 4.83509 60.3848 34.3179 -18.7615 34.3178 5.76805 GPRESSAVG: 4336400 -29.7545 3.38733 -19.0387 5.33967 60.1575 34.0628 -16.9786 35.6895 5.86188 TIMING: 4336400 CPU: 14021.3, 0.00320417/step Wall: 14021.3, 0.00320417/step, 0.590635 hours remaining, 235.382812 MB of memory in use. ENERGY: 4336400 3894.0803 20313.4585 14472.0817 240.3935 -203490.0347 2685.3783 0.0000 0.0000 52202.1623 -109682.4801 300.0065 -161884.6425 -109325.5250 299.2505 214.1030 242.4690 757399.7829 12.1975 12.0883 PRESSURE: 4336600 115.976 125.75 -86.3523 125.75 78.7655 95.3176 -86.353 95.3167 327.193 GPRESSURE: 4336600 170.107 25.6737 -112.149 55.6381 28.2726 79.3019 30.8857 66.0682 411.795 PRESSAVG: 4336600 43.0322 10.7049 -21.8021 10.7049 -55.8719 45.0176 -21.8021 45.0175 6.94554 GPRESSAVG: 4336600 42.912 9.30312 -21.3996 11.2817 -56.0167 45.534 -24.5397 42.5705 7.66594 TIMING: 4336600 CPU: 14021.9, 0.00312818/step Wall: 14021.9, 0.00312818/step, 0.576455 hours remaining, 235.449219 MB of memory in use. ENERGY: 4336600 3943.1660 20510.0248 14417.5013 227.9429 -203676.4658 2647.2292 0.0000 0.0000 52333.4736 -109597.1280 300.7612 -161930.6015 -109244.8082 299.1039 173.9780 203.3915 759875.2739 -1.9647 -1.8129 PRESSURE: 4336800 11.5431 31.7105 -208.483 31.7104 -389.847 6.52015 -208.483 6.51968 30.6512 GPRESSURE: 4336800 -29.6527 101.716 -161.607 -42.0273 -291.998 77.7461 -275.677 169.306 64.9176 PRESSAVG: 4336800 -29.2362 12.1336 9.80336 12.1337 4.25257 37.0373 9.80338 37.0374 8.82465 GPRESSAVG: 4336800 -28.1932 15.4257 9.85973 12.4895 4.00539 37.5175 12.0145 39.8039 8.23603 TIMING: 4336800 CPU: 14022.6, 0.00313501/step Wall: 14022.6, 0.00313501/step, 0.577538 hours remaining, 235.449219 MB of memory in use. ENERGY: 4336800 3988.5451 20446.3688 14307.8297 245.6095 -203242.8994 2302.6706 0.0000 0.0000 52201.1298 -109750.7459 300.0006 -161951.8757 -109395.9728 298.9737 -115.8842 -85.5776 760255.4484 -5.3863 -5.3173 PRESSURE: 4337000 -38.0309 35.0405 33.2067 35.0395 -177.45 -118.974 33.2064 -118.973 -320.518 GPRESSURE: 4337000 28.2164 35.0847 55.0043 94.8111 -170.473 -159.904 75.5068 -54.0082 -314.616 PRESSAVG: 4337000 35.693 -20.5255 -27.0386 -20.5256 -44.5416 23.6521 -27.0386 23.652 0.578304 GPRESSAVG: 4337000 35.3301 -23.8825 -25.9318 -18.2493 -43.777 23.7673 -28.4081 21.5418 0.891387 TIMING: 4337000 CPU: 14023.2, 0.00312473/step Wall: 14023.2, 0.00312473/step, 0.575471 hours remaining, 235.449219 MB of memory in use. ENERGY: 4337000 3957.1606 20457.7920 14380.8867 225.6392 -203090.7659 2328.5588 0.0000 0.0000 52082.5560 -109658.1726 299.3192 -161740.7285 -109300.0902 299.2484 -178.6663 -152.2908 760835.5271 -2.7567 -2.5185 PRESSURE: 4337200 -6.4871 33.2806 310.472 33.2806 217.508 -148.677 310.472 -148.678 113.844 GPRESSURE: 4337200 67.4279 36.9059 265.417 33.4867 264.805 -201.182 251.295 -67.011 68.3987 PRESSAVG: 4337200 16.1628 18.7301 3.52163 18.7301 -0.560231 12.8781 3.52164 12.8781 1.01409 GPRESSAVG: 4337200 16.1302 19.9517 3.90446 17.0615 -0.385617 10.7851 1.9783 13.8259 0.664998 TIMING: 4337200 CPU: 14023.8, 0.003121/step Wall: 14023.8, 0.003121/step, 0.57461 hours remaining, 235.449219 MB of memory in use. ENERGY: 4337200 4085.4012 20369.8699 14471.0953 243.3623 -203419.5701 2444.6409 0.0000 0.0000 52170.0396 -109635.1609 299.8219 -161805.2006 -109273.0024 299.0983 108.2883 133.5439 758153.3594 5.5389 5.4699 PRESSURE: 4337400 6.9545 77.6763 -46.53 77.6763 -48.6442 -15.1775 -46.5308 -15.1776 178.794 GPRESSURE: 4337400 26.6495 88.1216 -59.2319 59.3755 5.51039 -73.5106 -66.6331 47.2389 201.037 PRESSAVG: 4337400 -14.4009 14.3802 -6.97022 14.3802 15.447 -20.8305 -6.97019 -20.8305 23.606 GPRESSAVG: 4337400 -14.6494 14.9547 -7.76957 13.7095 16.1301 -20.8794 -6.90842 -19.9132 22.7715 TIMING: 4337400 CPU: 14024.5, 0.00314068/step Wall: 14024.5, 0.00314068/step, 0.578059 hours remaining, 235.449219 MB of memory in use. ENERGY: 4337400 4106.7688 20532.3686 14388.4128 244.8992 -203573.6715 2443.3176 0.0000 0.0000 52159.3808 -109698.5237 299.7607 -161857.9044 -109329.4172 299.2425 45.7014 77.7325 758307.0299 8.2174 8.0841 PRESSURE: 4337600 285.761 -301.483 -81.9518 -301.482 -257.02 13.384 -81.9511 13.3829 -406.938 GPRESSURE: 4337600 262.144 -239.021 -175.499 -191.777 -268.311 -32.1495 -80.8303 77.7256 -271.046 PRESSAVG: 4337600 17.2909 12.5419 21.0185 12.5419 -34.3117 -9.01335 21.0185 -9.01332 -3.46528 GPRESSAVG: 4337600 17.1422 11.5883 20.8468 13.3023 -36.0637 -8.1309 22.6187 -8.88771 -1.71349 TIMING: 4337600 CPU: 14025.1, 0.0031784/step Wall: 14025.1, 0.0031784/step, 0.584826 hours remaining, 235.449219 MB of memory in use. ENERGY: 4337600 3992.9349 20342.5345 14468.2878 249.2210 -203396.8169 2588.1937 0.0000 0.0000 52004.5406 -109751.1044 298.8708 -161755.6449 -109395.4809 299.4201 -126.0656 -92.4047 759422.3420 -6.8287 -6.8784 PRESSURE: 4337800 -111.365 478.348 60.1546 478.347 -216.452 64.5608 60.1537 64.5607 -142.938 GPRESSURE: 4337800 -146.104 445.881 44.0365 428.53 -96.3597 105.165 61.8747 6.95903 -153.588 PRESSAVG: 4337800 102.074 -11.2685 11.1024 -11.2685 -97.3843 3.58632 11.1024 3.58633 14.3223 GPRESSAVG: 4337800 102.225 -9.71092 12.0875 -11.4732 -96.4777 3.65226 10.8559 3.01244 12.7242 TIMING: 4337800 CPU: 14025.7, 0.00313664/step Wall: 14025.7, 0.00313664/step, 0.576968 hours remaining, 235.449219 MB of memory in use. ENERGY: 4337800 3954.0421 20526.1799 14401.0479 257.6125 -203702.1224 2593.4850 0.0000 0.0000 52176.7275 -109793.0275 299.8604 -161969.7551 -109439.5645 299.1301 -156.9183 -132.0172 759400.0690 6.3374 6.1572 PRESSURE: 4338000 249.616 185.117 276.53 185.116 -134.651 41.2825 276.53 41.2834 -242.147 GPRESSURE: 4338000 285.652 269.331 258.791 211.223 -77.8063 23.0938 163 -11.37 -253.79 PRESSAVG: 4338000 101.255 -3.70694 15.1372 -3.70697 -69.2834 -16.7728 15.1371 -16.7727 -27.1387 GPRESSAVG: 4338000 101.278 -4.81607 13.5025 -4.61464 -69.9715 -17.2477 15.1945 -16.4596 -26.1485 TIMING: 4338000 CPU: 14026.3, 0.00316858/step Wall: 14026.3, 0.00316858/step, 0.582667 hours remaining, 235.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4338000 4099.6636 20570.9800 14472.4949 257.3906 -203901.5257 2852.3068 0.0000 0.0000 51937.1526 -109711.5372 298.4835 -161648.6898 -109355.9735 299.6746 -42.3938 -15.3147 759993.5092 1.6109 1.7193 PRESSURE: 4338200 84.9684 -123.61 -50.4421 -123.611 -29.3946 -105.535 -50.4425 -105.535 120.319 GPRESSURE: 4338200 196.641 -138.357 -70.924 -134.195 -21.1905 -94.9815 -91.3657 -123.9 83.3018 PRESSAVG: 4338200 105.691 27.3715 6.90806 27.3714 -89.5398 -21.5285 6.90797 -21.5286 5.16243 GPRESSAVG: 4338200 105.913 27.061 7.33819 27.0345 -88.264 -20.9601 9.08445 -21.8836 4.02084 TIMING: 4338200 CPU: 14027, 0.00319358/step Wall: 14027, 0.00319358/step, 0.587087 hours remaining, 235.449219 MB of memory in use. ENERGY: 4338200 3903.7423 20593.5302 14416.1247 235.8998 -203706.2376 2548.5434 0.0000 0.0000 52038.2370 -109970.1601 299.0645 -162008.3971 -109595.2301 299.2778 58.6309 86.2508 759474.4871 7.1044 7.2233 PRESSURE: 4338400 -173.499 -36.0908 -48.4475 -36.0908 -75.2856 -57.5603 -48.4466 -57.5597 19.8862 GPRESSURE: 4338400 -68.8504 6.09861 -58.248 16.7957 -125.645 -65.7066 107.562 68.5033 55.8633 PRESSAVG: 4338400 22.8855 -23.2893 20.3598 -23.2893 -42.8811 4.6983 20.3599 4.69828 -21.7503 GPRESSAVG: 4338400 22.6796 -24.358 20.2397 -21.0468 -43.1081 3.9889 19.5265 4.91111 -21.4871 TIMING: 4338400 CPU: 14027.6, 0.00315248/step Wall: 14027.6, 0.00315248/step, 0.579356 hours remaining, 235.449219 MB of memory in use. ENERGY: 4338400 3924.7783 20537.0080 14391.3242 244.3702 -203681.2354 2466.8981 0.0000 0.0000 52063.8058 -110053.0508 299.2114 -162116.8566 -109689.4100 298.8280 -76.2993 -46.2108 760106.1758 -13.9153 -13.9719 PRESSURE: 4338600 214.478 65.5259 69.2055 65.5256 80.349 -146.686 69.2055 -146.684 123.053 GPRESSURE: 4338600 187.31 72.6594 23.196 117.957 153.415 -101.242 -19.8707 -106.046 166.168 PRESSAVG: 4338600 18.9668 75.1882 -3.23406 75.1881 10.5469 -37.762 -3.23409 -37.762 16.4385 GPRESSAVG: 4338600 17.6507 77.7026 -3.09876 72.1421 10.3808 -35.6715 -5.42869 -40.1401 17.9019 TIMING: 4338600 CPU: 14028.2, 0.00316886/step Wall: 14028.2, 0.00316886/step, 0.582191 hours remaining, 235.449219 MB of memory in use. ENERGY: 4338600 3985.0815 20492.7814 14501.9530 245.2033 -203648.0773 2444.0934 0.0000 0.0000 51908.6465 -110070.3182 298.3197 -161978.9647 -109713.4659 298.7807 139.2935 168.9642 758735.3701 15.3174 15.3111 PRESSURE: 4338800 173.402 118.642 70.5452 118.642 330.201 -79.4257 70.5442 -79.4256 227.057 GPRESSURE: 4338800 253.605 206.16 69.4754 -90.7723 344.524 -150.17 167.516 42.1109 199.84 PRESSAVG: 4338800 33.885 64.0155 2.38783 64.0155 -27.4823 20.4926 2.38786 20.4926 -1.49022 GPRESSAVG: 4338800 34.7456 62.8888 3.68435 63.8436 -27.3109 18.1517 0.87304 22.6826 -2.11391 TIMING: 4338800 CPU: 14028.9, 0.00314985/step Wall: 14028.9, 0.00314985/step, 0.578523 hours remaining, 235.519531 MB of memory in use. ENERGY: 4338800 3886.0186 20591.0343 14484.7695 251.1619 -203886.6163 2638.3658 0.0000 0.0000 51981.3433 -110053.9229 298.7375 -162035.2662 -109691.9427 298.5671 243.5530 265.9898 758198.1548 1.6375 1.7736 PRESSURE: 4339000 -80.2891 -59.2003 14.928 -59.1993 0.298136 166.709 14.9282 166.709 383.179 GPRESSURE: 4339000 -65.1246 -30.2423 -65.5262 -41.6825 -3.98135 68.6897 58.6009 130.527 475.105 PRESSAVG: 4339000 13.2503 29.4821 40.0435 29.4822 -12.393 23.3939 40.0435 23.3939 3.71887 GPRESSAVG: 4339000 13.3978 29.4024 39.3583 30.0836 -12.2391 23.2083 43.2915 24.3176 3.55504 TIMING: 4339000 CPU: 14029.5, 0.00315494/step Wall: 14029.5, 0.00315494/step, 0.579283 hours remaining, 235.519531 MB of memory in use. ENERGY: 4339000 3930.8426 20624.2768 14422.2082 238.2285 -203813.6609 2655.7502 0.0000 0.0000 51841.9359 -110100.4186 297.9363 -161942.3545 -109751.0839 298.7225 101.0628 135.3332 759311.0736 1.5254 1.5713 PRESSURE: 4339200 112.033 116.784 -68.3048 116.785 43.1011 -32.1984 -68.3048 -32.1986 -60.5165 GPRESSURE: 4339200 150.553 109.649 -111.345 39.2798 78.7804 -54.3876 -60.7814 -182.653 -53.6029 PRESSAVG: 4339200 38.5048 -30.0665 41.6174 -30.0665 -40.8387 48.4401 41.6173 48.44 -11.9673 GPRESSAVG: 4339200 37.8726 -30.6402 41.6514 -28.2976 -40.8986 49.2208 39.797 47.1356 -11.6209 TIMING: 4339200 CPU: 14030.1, 0.00318169/step Wall: 14030.1, 0.00318169/step, 0.584016 hours remaining, 235.519531 MB of memory in use. ENERGY: 4339200 3932.6419 20400.9674 14440.0408 247.4566 -203400.9308 2490.6274 0.0000 0.0000 51930.1957 -109959.0010 298.4435 -161889.1968 -109594.9514 298.5848 31.5393 58.5768 759540.0270 -4.7671 -4.8823 PRESSURE: 4339400 48.8997 79.2542 -39.7865 79.2548 280.541 154.787 -39.7875 154.786 -1.5243 GPRESSURE: 4339400 77.4357 54.0124 -36.0013 -35.2244 322.529 204.925 88.1773 199.952 29.2741 PRESSAVG: 4339400 20.5054 -112.897 -22.2517 -112.897 -41.8756 -13.4885 -22.2517 -13.4885 -15.6957 GPRESSAVG: 4339400 19.9312 -112.182 -22.7143 -115.27 -40.8741 -13.5332 -22.0249 -12.5017 -16.4549 TIMING: 4339400 CPU: 14030.8, 0.0031819/step Wall: 14030.8, 0.0031819/step, 0.58388 hours remaining, 235.519531 MB of memory in use. ENERGY: 4339400 3943.9783 20450.4485 14431.9870 253.6082 -203710.7499 2713.1007 0.0000 0.0000 52015.3670 -109902.2602 298.9330 -161917.6271 -109537.1212 298.4949 109.3054 143.0797 759037.4795 -12.3553 -12.4659 PRESSURE: 4339600 102.073 47.7734 39.1969 47.7733 -85.8967 -157.117 39.1978 -157.116 -305.854 GPRESSURE: 4339600 111.698 96.0592 119.418 116.131 -6.79097 -134.712 -20.4503 -209.006 -293.594 PRESSAVG: 4339600 17.8673 -17.9819 -43.4711 -17.9819 -9.78933 10.5943 -43.471 10.5944 7.82213 GPRESSAVG: 4339600 19.6519 -18.9879 -42.9321 -15.9415 -10.7855 9.82327 -41.9106 11.1756 7.00604 TIMING: 4339600 CPU: 14031.4, 0.00315339/step Wall: 14031.4, 0.00315339/step, 0.578472 hours remaining, 235.519531 MB of memory in use. ENERGY: 4339600 3980.1050 20466.1113 14438.7387 226.0448 -203606.5325 2474.2356 0.0000 0.0000 52161.0271 -109860.2699 299.7701 -162021.2970 -109501.8680 298.7356 -96.5592 -62.8955 760512.8508 5.3000 5.2908 PRESSURE: 4339800 226.583 336.445 310.198 336.445 76.6168 -115.422 310.198 -115.422 188.166 GPRESSURE: 4339800 253.542 337.466 227.568 285.424 44.6656 -101.539 236.995 -115.759 272.036 PRESSAVG: 4339800 49.9207 28.174 41.5381 28.174 -31.4641 16.2081 41.5381 16.2081 14.3381 GPRESSAVG: 4339800 49.2919 25.3383 40.6801 29.6031 -32.4516 15.0475 38.9102 15.6233 16.0989 TIMING: 4339800 CPU: 14032, 0.00314808/step Wall: 14032, 0.00314808/step, 0.577322 hours remaining, 235.519531 MB of memory in use. ENERGY: 4339800 3933.2534 20583.4893 14409.7136 264.4085 -203523.7375 2574.6475 0.0000 0.0000 51945.6541 -109812.5712 298.5324 -161758.2253 -109443.8211 298.5550 163.7887 190.0813 762063.5931 10.9315 10.9797 PRESSURE: 4340000 103.13 9.58151 -2.51363 9.58185 -190.57 -26.6076 -2.51352 -26.6069 327.569 GPRESSURE: 4340000 164.755 33.9646 82.0127 -22.8732 -177.881 5.19001 17.5241 -64.2057 334.12 PRESSAVG: 4340000 23.8978 33.0293 52.918 33.0293 -11.352 -12.824 52.918 -12.824 -1.59031 GPRESSAVG: 4340000 24.2924 36.8411 53.3125 31.2283 -10.3892 -11.233 54.9847 -13.6541 -2.6664 TIMING: 4340000 CPU: 14032.7, 0.0031747/step Wall: 14032.7, 0.0031747/step, 0.582029 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4340000 4019.6817 20401.3757 14481.5199 260.7173 -203388.3255 2537.9666 0.0000 0.0000 52105.4100 -109581.6543 299.4505 -161687.0643 -109211.3938 298.9031 80.0431 106.9980 761511.9975 3.6518 3.7456 PRESSURE: 4340200 191.655 2.38869 -80.5554 2.38809 -71.4881 72.2984 -80.5553 72.2989 -244.277 GPRESSURE: 4340200 119.654 -80.3357 -108.763 6.45108 45.8806 136.827 -125.999 246.79 -202.683 PRESSAVG: 4340200 67.6562 17.7253 1.22899 17.7253 -47.976 3.92111 1.22903 3.92103 1.49383 GPRESSAVG: 4340200 67.9409 17.2062 1.67535 15.8467 -49.0285 5.5314 -0.526726 3.72132 2.16144 TIMING: 4340200 CPU: 14033.3, 0.00316035/step Wall: 14033.3, 0.00316035/step, 0.579222 hours remaining, 235.589844 MB of memory in use. ENERGY: 4340200 3991.2742 20583.3586 14458.7026 271.9674 -203568.1213 2498.4840 0.0000 0.0000 52284.5609 -109479.7737 300.4801 -161764.3345 -109118.7046 299.4745 -41.3702 -12.3827 760114.5597 7.0580 7.0246 LDB: ============= START OF LOAD BALANCING ============== 14045.7 LDB: ============== END OF LOAD BALANCING =============== 14045.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14045.7 LDB: ============= START OF LOAD BALANCING ============== 14046 LDB: Largest compute 7033 load 0.031074 is 15.9% of average load 0.195524 LDB: Average compute 0.004387 is 2.2% of average load 0.195524 LDB: TIME 14046.1 LOAD: AVG 0.195524 MAX 0.213446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.621 MB LDB: TIME 14046.1 LOAD: AVG 0.195524 MAX 0.213446 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: TIME 14046.1 LOAD: AVG 0.195524 MAX 0.213446 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: ============== END OF LOAD BALANCING =============== 14046.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14046.1 PRESSURE: 4340400 324.875 -43.222 302.807 -43.2215 -166.344 1.35291 302.806 1.35346 120.159 GPRESSURE: 4340400 339.152 -33.5527 250.666 28.1906 -75.4547 42.8371 184.951 -133.512 107.036 PRESSAVG: 4340400 10.9948 -6.40863 3.36814 -6.40866 -35.2702 13.2617 3.36812 13.2618 -5.77892 GPRESSAVG: 4340400 10.5833 -6.1245 2.97199 -6.57671 -35.4701 13.6864 1.65576 10.7699 -4.86313 TIMING: 4340400 CPU: 14034, 0.00322019/step Wall: 14034, 0.00322019/step, 0.59001 hours remaining, 236.097656 MB of memory in use. ENERGY: 4340400 3986.9445 20474.0908 14422.7234 250.8546 -203283.9401 2606.6007 0.0000 0.0000 52478.1350 -109064.5910 301.5926 -161542.7260 -108700.3458 300.2452 92.8967 123.5777 760884.9458 -10.0181 -9.9166 PRESSURE: 4340600 185.855 97.4408 32.8388 97.4406 -210.706 206.746 32.8388 206.746 -36.0923 GPRESSURE: 4340600 246.776 156.35 88.1331 33.8721 -188.865 175.104 -47.7547 90.9761 -37.5293 PRESSAVG: 4340600 81.8627 -35.2721 -16.4821 -35.2719 -64.2549 46.8311 -16.482 46.8311 0.867479 GPRESSAVG: 4340600 81.266 -36.904 -15.7174 -32.683 -63.1311 44.2105 -15.5361 48.0361 0.525987 TIMING: 4340600 CPU: 14034.6, 0.00317216/step Wall: 14034.6, 0.00317216/step, 0.581035 hours remaining, 236.300781 MB of memory in use. ENERGY: 4340600 3906.7143 20480.9443 14457.2597 254.0268 -203184.7626 2473.4527 0.0000 0.0000 52511.7958 -109100.5690 301.7860 -161612.3648 -108739.8161 300.5400 -20.3144 6.7938 761003.1295 6.1584 6.2203 PRESSURE: 4340800 11.5957 186.253 84.3768 186.252 -0.849741 171.84 84.3775 171.842 162.966 GPRESSURE: 4340800 140.76 98.7076 72.5641 106.385 -91.5812 166.408 -56.5364 41.3583 199.721 PRESSAVG: 4340800 81.0662 -7.13409 19.8757 -7.13413 -90.8018 17.8226 19.8757 17.8226 16.7954 GPRESSAVG: 4340800 82.7937 -6.84974 20.4297 -8.60343 -91.389 19.5261 19.7756 17.9512 15.7359 TIMING: 4340800 CPU: 14035.2, 0.0031843/step Wall: 14035.2, 0.0031843/step, 0.583081 hours remaining, 236.300781 MB of memory in use. ENERGY: 4340800 4119.3456 20385.1154 14481.8540 238.0089 -203142.3880 2639.4250 0.0000 0.0000 52035.4878 -109243.1513 299.0487 -161278.6391 -108881.7617 299.8211 57.9040 82.9665 760195.5058 2.3532 2.3802 PRESSURE: 4341000 -281.583 -6.04414 40.7791 -6.04345 -36.5487 9.71647 40.7804 9.7159 -202.769 GPRESSURE: 4341000 -266.978 80.2076 -7.05866 17.1327 1.48468 4.46004 99.2492 -153.428 -162.104 PRESSAVG: 4341000 32.9546 50.8461 -10.1754 50.8461 -41.3872 65.4214 -10.1754 65.4213 -1.67431 GPRESSAVG: 4341000 31.152 54.3447 -10.8487 50.6361 -40.4461 64.611 -11.9394 65.9174 -0.8305 TIMING: 4341000 CPU: 14035.9, 0.00316012/step Wall: 14035.9, 0.00316012/step, 0.578477 hours remaining, 236.558594 MB of memory in use. ENERGY: 4341000 3993.1297 20571.4603 14481.8921 231.8183 -202821.2615 2049.4470 0.0000 0.0000 52385.0953 -109108.4188 301.0579 -161493.5141 -108743.5069 299.6179 -173.6336 -142.5326 758190.2064 -3.3690 -3.3749 PRESSURE: 4341200 301.355 21.7079 -131.745 21.7071 -99.991 -111.909 -131.746 -111.909 158.311 GPRESSURE: 4341200 366.647 39.9871 -143.983 25.4952 -19.8696 -84.3626 -42.0484 -211.231 107.066 PRESSAVG: 4341200 -22.5161 44.9237 -16.0538 44.9237 -6.92082 -47.4932 -16.0539 -47.4931 1.79955 GPRESSAVG: 4341200 -22.1748 42.5094 -14.9529 45.8678 -7.11153 -47.3588 -15.6034 -48.3138 1.69597 TIMING: 4341200 CPU: 14036.5, 0.00315477/step Wall: 14036.5, 0.00315477/step, 0.577323 hours remaining, 236.558594 MB of memory in use. ENERGY: 4341200 3976.3929 20565.1757 14424.5720 272.6912 -203086.9003 2425.5304 0.0000 0.0000 52330.3024 -109092.2357 300.7430 -161422.5381 -108731.5212 300.2272 119.8915 151.2811 759501.8773 -9.2125 -9.1968 PRESSURE: 4341400 257.748 -130.396 -213.487 -130.395 84.924 -58.2725 -213.487 -58.274 0.135118 GPRESSURE: 4341400 207.926 -219.076 -214.217 -23.8665 238.168 -27.9561 -225.49 -175.146 -26.012 PRESSAVG: 4341400 34.5536 23.5805 -67.6293 23.5805 -23.9859 9.87936 -67.6293 9.87933 7.25322 GPRESSAVG: 4341400 33.3056 22.6879 -68.8998 25.9382 -22.252 10.3022 -66.372 10.1391 6.64205 TIMING: 4341400 CPU: 14037.1, 0.00313732/step Wall: 14037.1, 0.00313732/step, 0.573956 hours remaining, 236.558594 MB of memory in use. ENERGY: 4341400 4002.1536 20530.4812 14426.9429 255.7750 -202888.6645 2294.4000 0.0000 0.0000 52222.6919 -109156.2199 300.1245 -161378.9118 -108797.2111 300.3708 114.2692 140.0273 758538.1808 5.9403 5.8985 PRESSURE: 4341600 -167.756 -33.5974 20.1062 -33.5979 38.4409 -86.6085 20.1071 -86.6078 -113.562 GPRESSURE: 4341600 -107.734 17.2866 26.6901 -67.1053 76.0481 -84.589 89.2353 -18.6634 -109.112 PRESSAVG: 4341600 53.0879 -0.926581 -68.504 -0.926597 -24.9088 46.7544 -68.504 46.7544 5.5756 GPRESSAVG: 4341600 54.7036 -1.20132 -67.0363 -4.62464 -26.676 45.4686 -66.8683 46.752 5.49177 TIMING: 4341600 CPU: 14037.7, 0.0031541/step Wall: 14037.7, 0.0031541/step, 0.57685 hours remaining, 236.558594 MB of memory in use. ENERGY: 4341600 4101.6039 20433.8062 14449.2945 237.9255 -202676.6054 2125.8824 0.0000 0.0000 52123.8770 -109204.2158 299.5566 -161328.0928 -108838.4141 299.8283 -80.9591 -46.9326 760832.1364 11.2515 11.1731 PRESSURE: 4341800 185.518 -139.339 25.9234 -139.339 -435.356 -8.34317 25.9231 -8.34357 -252.088 GPRESSURE: 4341800 163.202 -54.5444 20.0929 -88.2494 -385.123 -57.6418 26.9978 -66.4048 -194.579 PRESSAVG: 4341800 26.9004 27.4599 -4.13609 27.4599 5.82158 34.9631 -4.13611 34.9631 -15.7412 GPRESSAVG: 4341800 26.0767 28.7221 -5.22864 28.0891 7.22997 35.3133 -4.10661 35.2853 -16.26 TIMING: 4341800 CPU: 14038.4, 0.00317491/step Wall: 14038.4, 0.00317491/step, 0.580479 hours remaining, 236.558594 MB of memory in use. ENERGY: 4341800 4080.5902 20554.4972 14461.6373 262.0167 -203129.5581 2279.8394 0.0000 0.0000 52103.6111 -109387.3662 299.4402 -161490.9774 -109028.9340 299.6107 -167.3089 -138.8333 761085.4364 5.6603 5.6823 PRESSURE: 4342000 -21.5389 -59.9783 -159.367 -59.9781 -176.073 2.16982 -159.366 2.1695 -100.343 GPRESSURE: 4342000 52.8795 -40.9983 -129.463 -70.5521 -120.261 -81.8357 -235.503 -10.565 -140.434 PRESSAVG: 4342000 3.41931 16.3863 6.95034 16.3862 -1.03739 -30.1612 6.95045 -30.1611 1.85933 GPRESSAVG: 4342000 4.91382 16.3559 8.26329 15.9067 -2.71559 -29.5039 4.75877 -29.6201 1.71899 TIMING: 4342000 CPU: 14039, 0.00315394/step Wall: 14039, 0.00315394/step, 0.57647 hours remaining, 236.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4342000 3976.0592 20385.7316 14431.6827 236.7642 -203265.1901 2444.7258 0.0000 0.0000 52297.7515 -109492.4752 300.5559 -161790.2266 -109123.1020 299.6405 -99.3185 -69.2720 760409.4106 1.4137 1.3057 PRESSURE: 4342200 54.821 166.763 -116.093 166.763 191.831 -57.8521 -116.093 -57.8513 130.18 GPRESSURE: 4342200 80.9523 142.192 -136.522 151.347 207.283 -97.3757 -69.657 7.55125 199.595 PRESSAVG: 4342200 9.38081 63.3853 -44.8148 63.3852 -35.255 -34.2485 -44.8148 -34.2485 16.3275 GPRESSAVG: 4342200 8.43407 64.2067 -45.4071 63.6584 -35.5589 -34.0639 -47.2469 -35.1489 17.3285 TIMING: 4342200 CPU: 14039.6, 0.00313709/step Wall: 14039.6, 0.00313709/step, 0.573217 hours remaining, 236.558594 MB of memory in use. ENERGY: 4342200 3945.4321 20456.3530 14464.1288 248.1606 -202891.2493 2291.1537 0.0000 0.0000 52139.2420 -109346.7791 299.6449 -161486.0211 -108983.6393 299.6842 125.6106 162.6098 760765.9294 -3.1822 -3.2654 PRESSURE: 4342400 85.2404 154.352 -117.57 154.352 -206.266 -288.934 -117.57 -288.933 -386.607 GPRESSURE: 4342400 28.1569 30.9865 -157.213 49.7596 -139.143 -342.486 -5.38874 -272.87 -303.229 PRESSAVG: 4342400 -19.2549 12.7446 -26.8486 12.7447 -5.72318 88.5307 -26.8486 88.5307 0.238927 GPRESSAVG: 4342400 -20.6181 10.1888 -26.6752 12.8931 -3.00052 87.1368 -23.4979 87.6884 -1.10053 TIMING: 4342400 CPU: 14040.3, 0.00314722/step Wall: 14040.3, 0.00314722/step, 0.574891 hours remaining, 236.558594 MB of memory in use. ENERGY: 4342400 3916.1229 20559.9723 14543.6551 248.0609 -202768.6710 2221.7399 0.0000 0.0000 51924.5794 -109354.5406 298.4113 -161279.1199 -108991.8718 299.8838 -169.2108 -138.0716 759491.8857 -8.2464 -8.2397 PRESSURE: 4342600 -140.031 -81.682 -230.993 -81.6815 -173.737 214.963 -230.993 214.964 -269.192 GPRESSURE: 4342600 -129.169 -30.2372 -124.396 46.3986 -168.675 210.364 -131.68 247.855 -192.222 PRESSAVG: 4342600 71.4523 15.5629 -8.68118 15.5629 -10.6593 23.0358 -8.68118 23.0358 -7.29994 GPRESSAVG: 4342600 72.5213 16.6032 -9.54089 15.8486 -13.1869 25.7711 -10.0737 23.4645 -6.33722 TIMING: 4342600 CPU: 14040.9, 0.00315412/step Wall: 14040.9, 0.00315412/step, 0.575978 hours remaining, 236.558594 MB of memory in use. ENERGY: 4342600 4034.7249 20502.8735 14545.1506 242.5217 -203049.2043 2256.4038 0.0000 0.0000 52058.4430 -109409.0869 299.1806 -161467.5299 -109049.3569 299.9095 -194.3199 -163.3553 760659.7587 17.8310 17.6657 PRESSURE: 4342800 -89.1408 137.916 -223.381 137.915 31.926 76.9953 -223.38 76.9952 -146.967 GPRESSURE: 4342800 -57.0119 10.5821 -204.517 153.675 65.5768 60.144 -345.768 -16.7713 -141.816 PRESSAVG: 4342800 21.747 -1.96973 -46.8597 -1.96973 -41.1369 4.08223 -46.8597 4.08218 2.15715 GPRESSAVG: 4342800 22.0109 -0.91353 -46.3246 -4.55295 -39.8966 2.53403 -45.7589 3.43281 1.15534 TIMING: 4342800 CPU: 14041.5, 0.00315191/step Wall: 14041.5, 0.00315191/step, 0.575398 hours remaining, 236.558594 MB of memory in use. ENERGY: 4342800 3917.2900 20618.1580 14477.1244 259.8567 -202989.9974 2338.9335 0.0000 0.0000 51995.2977 -109383.3371 298.8177 -161378.6349 -109027.5497 299.2421 -68.0607 -44.4170 761096.5983 -5.7442 -5.5768 PRESSURE: 4343000 253.825 49.9048 -6.97806 49.905 -280.754 -14.8033 -6.97943 -14.8038 -86.4675 GPRESSURE: 4343000 263.237 -16.651 6.61176 64.9486 -237.72 -11.3184 -5.51678 23.1596 -58.3112 PRESSAVG: 4343000 -15.1362 -49.9719 -34.8743 -49.9719 -28.1079 -27.5857 -34.8743 -27.5857 -8.5324 GPRESSAVG: 4343000 -15.8276 -48.8101 -34.8801 -48.4923 -28.4417 -28.408 -36.0403 -26.5576 -7.83838 TIMING: 4343000 CPU: 14042.2, 0.00314506/step Wall: 14042.2, 0.00314506/step, 0.573974 hours remaining, 236.558594 MB of memory in use. ENERGY: 4343000 4056.8720 20442.1393 14478.0405 233.7276 -203198.0567 2491.9372 0.0000 0.0000 52113.3322 -109382.0079 299.4960 -161495.3401 -109014.0325 299.4894 -37.7991 -10.9314 763065.3630 -17.2588 -17.3692 PRESSURE: 4343200 19.2136 8.25427 97.5556 8.25381 46.0061 -8.87177 97.556 -8.87304 349.705 GPRESSURE: 4343200 126.568 3.78497 29.9967 42.4557 55.798 -53.2075 40.4624 103.776 313.572 PRESSAVG: 4343200 11.2328 -63.4525 -34.0438 -63.4525 9.69806 -6.58626 -34.0438 -6.5862 6.16382 GPRESSAVG: 4343200 12.9443 -64.4152 -34.8412 -64.8327 9.31859 -5.50019 -35.2393 -6.88375 5.44572 TIMING: 4343200 CPU: 14042.8, 0.00317722/step Wall: 14042.8, 0.00317722/step, 0.579666 hours remaining, 236.558594 MB of memory in use. ENERGY: 4343200 3970.9647 20429.8474 14493.3239 222.3553 -203055.3101 2365.8978 0.0000 0.0000 52178.1921 -109394.7289 299.8688 -161572.9210 -109032.7828 299.3953 138.3084 165.3126 761043.4963 9.0316 9.2362 PRESSURE: 4343400 148.038 2.37453 -37.8473 2.37549 -253.222 -104.272 -37.8469 -104.271 331.158 GPRESSURE: 4343400 120.705 61.0595 -2.04064 -25.7358 -161.49 -165.293 -34.1755 -99.2633 358.223 PRESSAVG: 4343400 19.8036 -22.1302 -4.78227 -22.1302 -7.90906 -14.1118 -4.78225 -14.1117 2.64035 GPRESSAVG: 4343400 19.5736 -23.647 -4.87957 -21.6488 -7.29645 -15.9164 -2.02494 -14.1741 2.68454 TIMING: 4343400 CPU: 14043.4, 0.00315026/step Wall: 14043.4, 0.00315026/step, 0.574573 hours remaining, 236.558594 MB of memory in use. ENERGY: 4343400 3994.9595 20456.6862 14533.2795 233.0972 -203349.4051 2500.2815 0.0000 0.0000 52144.9017 -109486.1995 299.6775 -161631.1012 -109121.4334 299.2919 75.3247 105.8128 759981.6608 4.8450 4.9872 PRESSURE: 4343600 96.5191 -90.0447 184.02 -90.0448 53.6464 63.4723 184.02 63.4724 60.0509 GPRESSURE: 4343600 87.5961 -133.569 171.757 -135.772 135.665 75.9007 201.77 49.1475 71.5272 PRESSAVG: 4343600 5.18925 15.4108 2.35159 15.4108 -7.41623 -19.5306 2.35148 -19.5306 6.6618 GPRESSAVG: 4343600 4.27598 15.9913 0.0170729 18.118 -8.18485 -19.2239 3.49974 -19.2286 7.5953 TIMING: 4343600 CPU: 14044.1, 0.00314696/step Wall: 14044.1, 0.00314696/step, 0.573795 hours remaining, 236.558594 MB of memory in use. ENERGY: 4343600 4031.5011 20654.9610 14465.7958 249.9868 -203435.9453 2389.7984 0.0000 0.0000 52142.9329 -109500.9694 299.6662 -161643.9022 -109149.3837 299.2152 70.0721 98.2626 759472.5355 1.4783 1.2288 PRESSURE: 4343800 -29.9533 89.8485 198.857 89.8488 -441 -165.136 198.857 -165.138 -584.237 GPRESSURE: 4343800 -52.0486 16.8924 143.75 135.958 -300.27 -98.171 341.335 -122.475 -609.566 PRESSAVG: 4343800 -27.4073 -7.6463 30.2777 -7.64634 -19.312 -34.2126 30.2778 -34.2125 -1.73631 GPRESSAVG: 4343800 -28.4652 -7.61301 33.9291 -9.59029 -18.3761 -31.0633 27.3095 -36.5742 -1.87473 TIMING: 4343800 CPU: 14044.7, 0.00314676/step Wall: 14044.7, 0.00314676/step, 0.573584 hours remaining, 236.558594 MB of memory in use. ENERGY: 4343800 4067.8702 20423.8946 14479.4718 281.2447 -203066.8606 2360.6773 0.0000 0.0000 51813.5713 -109640.1307 297.7733 -161453.7020 -109280.3764 299.1484 -351.7299 -320.6281 762022.3439 -16.1519 -16.2387 PRESSURE: 4344000 -71.1177 -159.206 -38.3406 -159.207 -117.913 -211.745 -38.3409 -211.746 -227.127 GPRESSURE: 4344000 -25.5366 -26.3644 -105.535 -204.779 -88.163 -201.278 -69.7852 -295.21 -238.806 PRESSAVG: 4344000 31.8808 -47.4788 78.2293 -47.4789 -36.5372 -25.1973 78.2292 -25.1973 -6.96681 GPRESSAVG: 4344000 32.3753 -47.5881 77.6663 -45.0587 -37.263 -27.9799 79.1894 -23.6248 -7.16757 TIMING: 4344000 CPU: 14045.3, 0.00314458/step Wall: 14045.3, 0.00314458/step, 0.573012 hours remaining, 236.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4344000 3872.9134 20542.9724 14402.5059 241.3276 -203063.9690 2333.3864 0.0000 0.0000 51860.8556 -109810.0078 298.0451 -161670.8634 -109443.8894 298.4491 -138.7194 -117.5018 761158.0899 -3.8744 -4.0184 PRESSURE: 4344200 -136.642 -33.4534 -14.6225 -33.4527 173.962 -285.113 -14.623 -285.112 -187.547 GPRESSURE: 4344200 -33.5987 -45.287 -13.5721 38.0211 79.2349 -248.179 -27.0848 -162.12 -122.433 PRESSAVG: 4344200 5.17116 -39.7351 -21.0909 -39.7351 -8.18969 -43.1683 -21.0909 -43.1683 -32.6211 GPRESSAVG: 4344200 6.25213 -39.4179 -22.7026 -41.383 -8.35532 -41.8889 -21.5222 -41.8529 -33.348 TIMING: 4344200 CPU: 14045.9, 0.00313741/step Wall: 14045.9, 0.00313741/step, 0.571531 hours remaining, 236.558594 MB of memory in use. ENERGY: 4344200 4089.8305 20525.0512 14380.2939 251.2488 -203180.0795 2222.9607 0.0000 0.0000 51907.2206 -109803.4737 298.3115 -161710.6942 -109449.3744 298.8622 -50.0757 -25.5989 760103.3598 -11.8799 -11.8171 LDB: ============= START OF LOAD BALANCING ============== 14058.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14058.4 LDB: =============== DONE WITH MIGRATION ================ 14058.4 LDB: ============= START OF LOAD BALANCING ============== 14058.7 LDB: Largest compute 7066 load 0.030824 is 15.8% of average load 0.195516 LDB: Average compute 0.004395 is 2.2% of average load 0.195516 LDB: TIME 14058.7 LOAD: AVG 0.195516 MAX 0.215865 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.059 MB LDB: TIME 14058.7 LOAD: AVG 0.195516 MAX 0.215865 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: TIME 14058.7 LOAD: AVG 0.195516 MAX 0.215865 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: ============== END OF LOAD BALANCING =============== 14058.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14058.7 PRESSURE: 4344400 434.457 -90.1994 324.781 -90.2005 425.331 -129.638 324.78 -129.639 474.108 GPRESSURE: 4344400 483.589 -40.5615 283.489 -14.3813 421.972 -150.36 202.224 -317.273 503.495 PRESSAVG: 4344400 -44.5167 7.91954 69.36 7.91954 28.5062 -39.2965 69.36 -39.2965 0.441789 GPRESSAVG: 4344400 -45.6109 8.81435 71.2812 9.29941 29.433 -40.287 67.7977 -41.0316 0.987035 TIMING: 4344400 CPU: 14046.6, 0.00318573/step Wall: 14046.6, 0.00318573/step, 0.580157 hours remaining, 236.601562 MB of memory in use. ENERGY: 4344400 3926.4499 20470.9047 14379.6413 239.1459 -203557.7591 2867.7648 0.0000 0.0000 51824.9845 -109848.8681 297.8389 -161673.8526 -109490.0686 298.1975 444.6321 469.6852 759176.5274 -5.1896 -5.0636 PRESSURE: 4344600 -330.15 -92.3372 -77.9157 -92.3379 -469.017 -236.286 -77.9163 -236.285 -241.788 GPRESSURE: 4344600 -348.502 -138.797 -72.6807 -140.196 -390.14 -224.815 -61.8551 -91.0285 -202.895 PRESSAVG: 4344600 1.57262 4.77465 37.8884 4.77467 -58.0542 -48.9823 37.8885 -48.9823 8.1241 GPRESSAVG: 4344600 1.86528 3.70509 38.932 3.77808 -59.048 -48.7758 37.7779 -47.7288 8.37446 TIMING: 4344600 CPU: 14047.2, 0.00313089/step Wall: 14047.2, 0.00313089/step, 0.569995 hours remaining, 237.058594 MB of memory in use. ENERGY: 4344600 3932.2769 20498.8738 14474.0978 233.5917 -203340.5479 2594.1886 0.0000 0.0000 51937.0516 -109670.4673 298.4829 -161607.5190 -109301.6378 298.4646 -346.9849 -313.8456 761151.0407 -16.1192 -16.2694 PRESSURE: 4344800 14.178 67.4244 38.8997 67.4236 21.1735 -52.286 38.8999 -52.286 253.548 GPRESSURE: 4344800 88.7376 65.4542 10.0705 59.8346 28.5579 95.1399 24.1008 -136.657 265.064 PRESSAVG: 4344800 47.3711 -23.0399 37.9791 -23.0399 -38.8399 -5.13003 37.9791 -5.13001 13.5662 GPRESSAVG: 4344800 47.1572 -22.0029 38.5085 -24.5985 -37.7337 -3.82294 39.7139 -6.81195 13.2829 TIMING: 4344800 CPU: 14047.8, 0.00312891/step Wall: 14047.8, 0.00312891/step, 0.569462 hours remaining, 237.058594 MB of memory in use. ENERGY: 4344800 4074.3098 20578.3429 14403.1765 246.6078 -203528.2495 2668.5869 0.0000 0.0000 51879.0581 -109678.1676 298.1497 -161557.2257 -109315.2287 298.9343 96.2998 127.4533 761963.2899 7.3658 7.5688 PRESSURE: 4345000 -156.628 212.867 80.0073 212.867 141.195 126.128 80.0056 126.128 362.409 GPRESSURE: 4345000 -114.942 228.522 13.1139 220.818 179.421 34.485 -47.1336 156.89 374.491 PRESSAVG: 4345000 3.61385 9.06361 21.8632 9.06366 -19.8695 -5.4483 21.8632 -5.44831 0.225272 GPRESSAVG: 4345000 4.11149 10.1245 20.4342 10.1976 -20.1645 -5.07908 21.0995 -3.98682 0.0757887 TIMING: 4345000 CPU: 14048.5, 0.003145/step Wall: 14048.5, 0.003145/step, 0.572215 hours remaining, 237.273438 MB of memory in use. ENERGY: 4345000 3978.7522 20391.1379 14388.2685 250.9658 -203206.4721 2216.3876 0.0000 0.0000 52421.2663 -109559.6936 301.2657 -161980.9600 -109188.4224 298.6240 115.6589 146.3234 760985.4406 -5.3435 -5.3257 PRESSURE: 4345200 -90.7476 -26.1014 -82.4692 -26.1018 0.425836 -168.833 -82.4689 -168.833 -0.647641 GPRESSURE: 4345200 -7.22729 -82.4137 -27.9008 21.7804 46.4134 -185.083 -66.648 -170.344 -27.8088 PRESSAVG: 4345200 -28.0165 -8.07719 -5.63704 -8.07722 6.4854 11.1622 -5.63708 11.1622 -10.6118 GPRESSAVG: 4345200 -27.307 -10.1003 -6.39148 -8.92613 4.90803 9.70124 -4.70179 9.61776 -10.0193 TIMING: 4345200 CPU: 14049.1, 0.00315959/step Wall: 14049.1, 0.00315959/step, 0.574695 hours remaining, 237.273438 MB of memory in use. ENERGY: 4345200 4005.0627 20559.7432 14443.4830 241.5992 -203206.2574 2322.1331 0.0000 0.0000 52268.4205 -109365.8158 300.3873 -161634.2363 -109009.4496 299.2875 -30.3231 3.7924 760672.2791 -10.7143 -10.8061 PRESSURE: 4345400 -409.094 -58.3818 -22.4629 -58.3822 -324.291 -85.2706 -22.4639 -85.2713 -222.947 GPRESSURE: 4345400 -296.38 -42.3493 -15.0248 9.84943 -334.033 -189.637 -38.0124 136.06 -261.141 PRESSAVG: 4345400 19.8727 2.85999 -42.7412 2.85998 -12.4975 -60.6842 -42.7412 -60.6841 -12.6462 GPRESSAVG: 4345400 20.2036 3.44864 -41.6378 5.59233 -12.5404 -61.9185 -43.8268 -57.6054 -13.0172 TIMING: 4345400 CPU: 14049.7, 0.00314792/step Wall: 14049.7, 0.00314792/step, 0.572396 hours remaining, 237.273438 MB of memory in use. ENERGY: 4345400 4048.2085 20724.9862 14521.8005 244.9166 -203243.6416 2124.9312 0.0000 0.0000 52238.3861 -109340.4124 300.2147 -161578.7985 -108975.7621 300.1556 -318.7773 -297.1848 762429.2069 -1.7570 -1.7847 PRESSURE: 4345600 -405.882 80.1815 90.8255 80.181 -179.734 -59.0097 90.8251 -59.0101 357.222 GPRESSURE: 4345600 -327.826 123.13 -28.9944 124.291 -207.574 -79.5109 23.0899 31.3209 399.097 PRESSAVG: 4345600 -14.1279 -0.793666 33.7417 -0.793629 -6.86958 -9.22853 33.7417 -9.22863 -29.4187 GPRESSAVG: 4345600 -15.8703 -1.96158 32.6166 -1.68171 -5.38891 -7.44832 34.9192 -10.3651 -30.1901 TIMING: 4345600 CPU: 14050.4, 0.0031494/step Wall: 14050.4, 0.0031494/step, 0.572491 hours remaining, 237.296875 MB of memory in use. ENERGY: 4345600 4036.1665 20583.4031 14458.9033 236.3842 -203345.6022 2329.3674 0.0000 0.0000 52296.8729 -109404.5047 300.5508 -161701.3776 -109044.1286 299.8264 -76.1316 -45.4346 761303.4389 -16.8054 -17.1498 PRESSURE: 4345800 -115.936 81.4027 13.9815 81.4029 -131.14 -26.7647 13.9815 -26.7635 -569.664 GPRESSURE: 4345800 -96.2177 67.8811 4.66071 73.9329 -95.8941 -47.0781 -42.2104 167.129 -534.518 PRESSAVG: 4345800 0.157036 20.1753 5.46381 20.1752 11.7963 -8.20223 5.46385 -8.20225 7.34226 GPRESSAVG: 4345800 1.16812 20.2469 6.74499 20.5693 11.6286 -8.22104 3.55142 -7.05182 7.05604 TIMING: 4345800 CPU: 14051, 0.00313086/step Wall: 14051, 0.00313086/step, 0.568947 hours remaining, 237.308594 MB of memory in use. ENERGY: 4345800 4041.2638 20548.6518 14415.0142 247.7069 -202945.2870 2256.6579 0.0000 0.0000 52054.9296 -109381.0627 299.1604 -161435.9922 -109031.4215 299.5694 -272.2466 -242.2101 761958.9870 6.4319 6.6176 PRESSURE: 4346000 184.252 -82.0068 -88.5933 -82.0066 -310.506 -2.97731 -88.5935 -2.97797 100.2 GPRESSURE: 4346000 173.892 -137.103 -71.649 -125.741 -268.919 -18.8872 90.1717 -125.334 161.061 PRESSAVG: 4346000 -10.7075 23.2018 72.9853 23.2018 9.73847 34.5907 72.9852 34.5907 -16.4976 GPRESSAVG: 4346000 -10.5796 23.6909 71.9405 21.306 7.62117 32.5933 75.9952 34.5653 -14.3808 TIMING: 4346000 CPU: 14051.6, 0.00314738/step Wall: 14051.6, 0.00314738/step, 0.571774 hours remaining, 237.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4346000 4023.8781 20656.2823 14484.6002 253.9574 -203353.8894 2479.7504 0.0000 0.0000 52305.6389 -109149.7820 300.6012 -161455.4210 -108793.5771 299.8212 -8.6848 22.0111 761444.0786 -5.8222 -5.7798 PRESSURE: 4346200 89.276 -20.0444 67.6955 -20.045 190.784 27.6946 67.6947 27.6949 -317.404 GPRESSURE: 4346200 167.407 4.55984 110.356 -80.8335 171.083 -46.6483 1.15962 86.6309 -297.141 PRESSAVG: 4346200 -35.8385 18.0817 90.5119 18.0817 33.7143 -43.1707 90.5119 -43.1708 5.15846 GPRESSAVG: 4346200 -35.929 18.1089 92.0049 20.6841 34.2291 -42.7859 89.3877 -43.929 4.47151 TIMING: 4346200 CPU: 14052.2, 0.00314548/step Wall: 14052.2, 0.00314548/step, 0.571254 hours remaining, 237.339844 MB of memory in use. ENERGY: 4346200 4034.2012 20524.6430 14469.5009 241.1920 -203467.6509 2467.7226 0.0000 0.0000 52373.0396 -109357.3516 300.9886 -161730.3912 -108993.3314 300.1537 -12.4482 13.7832 759411.7554 1.0114 0.9239 PRESSURE: 4346400 -239.164 171.111 -223.809 171.112 -235.093 -46.3836 -223.81 -46.3828 -226.494 GPRESSURE: 4346400 -197.425 180.966 -189.851 99.4067 -163.331 -51.5887 -115.691 -101.023 -241.138 PRESSAVG: 4346400 7.48102 17.5153 50.3192 17.5153 3.68321 28.7098 50.3193 28.7098 11.3446 GPRESSAVG: 4346400 7.14045 16.0712 49.8263 17.8245 4.76488 29.4192 52.0102 27.0927 10.2413 TIMING: 4346400 CPU: 14052.9, 0.00313294/step Wall: 14052.9, 0.00313294/step, 0.568803 hours remaining, 237.339844 MB of memory in use. ENERGY: 4346400 4025.1498 20489.5582 14467.2551 254.0154 -203521.8733 2555.7686 0.0000 0.0000 52357.3098 -109372.8163 300.8982 -161730.1261 -108998.5381 300.1155 -233.5834 -200.6313 761069.6149 7.5029 7.3822 PRESSURE: 4346600 -38.5199 -95.6417 44.6209 -95.6427 299.019 144.882 44.6208 144.883 108.617 GPRESSURE: 4346600 -39.1227 -27.2081 85.5667 20.7387 307.856 106.952 -92.462 98.8853 196.203 PRESSAVG: 4346600 -3.51697 36.4558 39.4203 36.4558 23.9456 14.2475 39.4204 14.2475 2.06386 GPRESSAVG: 4346600 -3.96388 38.6274 40.24 34.2954 24.2775 16.1308 36.7025 12.391 2.33137 TIMING: 4346600 CPU: 14053.5, 0.00313205/step Wall: 14053.5, 0.00313205/step, 0.568467 hours remaining, 237.339844 MB of memory in use. ENERGY: 4346600 3919.2873 20485.4955 14457.9763 251.4011 -203562.6596 2466.0767 0.0000 0.0000 52394.7588 -109587.6639 301.1134 -161982.4227 -109222.8945 299.9143 123.0390 154.9785 759321.5469 7.4975 7.5483 PRESSURE: 4346800 205.63 -7.58753 -113.562 -7.58617 275.853 -61.8267 -113.561 -61.8265 91.7335 GPRESSURE: 4346800 333.495 43.565 -78.3168 10.3833 345.962 48.922 44.8219 14.0019 -5.79008 PRESSAVG: 4346800 17.2009 -40.7379 -6.24454 -40.7379 4.67461 -15.5138 -6.24453 -15.5138 6.17567 GPRESSAVG: 4346800 17.2906 -40.9337 -6.19142 -39.7309 3.81377 -16.6654 -6.04889 -13.6664 7.1111 TIMING: 4346800 CPU: 14054.1, 0.00313829/step Wall: 14054.1, 0.00313829/step, 0.569424 hours remaining, 237.339844 MB of memory in use. ENERGY: 4346800 3941.8778 20540.7283 14472.6164 255.6456 -203156.7721 2441.7487 0.0000 0.0000 51712.4645 -109791.6908 297.1922 -161504.1553 -109440.5273 299.3233 191.0721 224.5555 760439.1926 9.3504 9.4052 PRESSURE: 4347000 -228.497 -29.9884 112.472 -29.9871 -133.243 287.43 112.472 287.429 6.61839 GPRESSURE: 4347000 -262.996 5.94457 27.2181 -93.2045 -119.702 203.134 -1.528 344.179 93.817 PRESSAVG: 4347000 -13.7728 -2.30663 -16.2872 -2.30664 5.48086 12.7739 -16.2872 12.7739 13.9706 GPRESSAVG: 4347000 -11.7863 -2.48447 -17.5695 -3.06805 4.30093 13.6926 -16.2964 14.6567 13.1668 TIMING: 4347000 CPU: 14054.7, 0.00314914/step Wall: 14054.7, 0.00314914/step, 0.571218 hours remaining, 237.339844 MB of memory in use. ENERGY: 4347000 3943.0744 20637.4711 14502.4615 234.0263 -203284.9243 2241.3817 0.0000 0.0000 51980.8733 -109745.6360 298.7348 -161726.5093 -109381.8177 298.8236 -118.3739 -96.2937 760950.8322 1.8929 1.8938 PRESSURE: 4347200 173.695 -65.6568 -295.52 -65.6566 -60.0547 91.9145 -295.521 91.9149 19.2501 GPRESSURE: 4347200 227.845 -17.5451 -286.2 -16.9951 -57.2072 40.8342 -180.874 -23.1739 38.4047 PRESSAVG: 4347200 67.0101 2.67934 5.75978 2.67939 -73.4944 16.3673 5.75982 16.3674 -0.175536 GPRESSAVG: 4347200 65.3162 3.23443 6.50748 5.16444 -71.6585 15.2645 5.20949 15.3877 0.597099 TIMING: 4347200 CPU: 14055.4, 0.00312992/step Wall: 14055.4, 0.00312992/step, 0.56756 hours remaining, 237.339844 MB of memory in use. ENERGY: 4347200 3944.0585 20710.7328 14429.2723 252.9108 -203299.7335 2327.2804 0.0000 0.0000 51839.3279 -109796.1509 297.9213 -161635.4788 -109440.0895 299.1674 44.2967 69.6809 759108.9164 -2.2199 -1.9151 PRESSURE: 4347400 20.8153 94.1833 24.466 94.1836 -415.492 -138.859 24.4661 -138.859 -42.7957 GPRESSURE: 4347400 4.96684 7.75839 -45.5389 53.4161 -369.967 -124.478 9.26999 -132.218 1.24363 PRESSAVG: 4347400 43.878 18.8131 22.9934 18.8131 -35.9201 4.81682 22.9934 4.81686 9.96519 GPRESSAVG: 4347400 45.6929 17.5681 23.6698 17.2951 -37.2539 3.59623 21.9995 6.93793 9.87817 TIMING: 4347400 CPU: 14056, 0.00312061/step Wall: 14056, 0.00312061/step, 0.565697 hours remaining, 237.339844 MB of memory in use. ENERGY: 4347400 4017.4564 20478.7897 14512.7039 244.8593 -203328.4755 2431.7140 0.0000 0.0000 51956.8362 -109686.1159 298.5967 -161642.9521 -109323.7525 299.1106 -145.8242 -121.2521 759528.5345 5.9744 6.1057 PRESSURE: 4347600 69.3334 111.437 -38.6355 111.436 7.17111 176.06 -38.6361 176.06 86.6089 GPRESSURE: 4347600 150.166 79.8542 -27.1325 62.3153 -29.2514 119.764 -35.4795 232.092 116.975 PRESSAVG: 4347600 49.1845 -30.3685 9.56298 -30.3685 -20.7166 54.9821 9.56303 54.9822 10.1138 GPRESSAVG: 4347600 50.3394 -32.2225 7.77936 -30.7197 -20.8194 55.3222 9.268 53.4247 9.52082 TIMING: 4347600 CPU: 14056.6, 0.00312948/step Wall: 14056.6, 0.00312948/step, 0.567131 hours remaining, 237.339844 MB of memory in use. ENERGY: 4347600 3942.3026 20420.6608 14476.1497 241.4771 -203448.8410 2353.4644 0.0000 0.0000 52194.5615 -109820.2248 299.9629 -162014.7863 -109446.6884 299.3746 54.3711 79.2965 758917.2250 12.8606 13.0136 PRESSURE: 4347800 -423.629 -25.36 138.56 -25.3591 -330.742 -29.5836 138.559 -29.5838 80.8962 GPRESSURE: 4347800 -353.198 -23.2274 159.616 47.4213 -260.876 -109.544 -5.07895 77.2354 7.61258 PRESSAVG: 4347800 -48.6193 25.1171 -11.4519 25.117 49.7366 -26.5822 -11.4518 -26.5822 -3.2552 GPRESSAVG: 4347800 -48.6927 27.6738 -9.65379 25.8408 49.1708 -26.2943 -10.1023 -25.5457 -2.41994 TIMING: 4347800 CPU: 14057.3, 0.00316794/step Wall: 14057.3, 0.00316794/step, 0.573925 hours remaining, 237.339844 MB of memory in use. ENERGY: 4347800 4096.5400 20504.0069 14442.6833 248.5761 -203454.3331 2504.3366 0.0000 0.0000 51926.8908 -109731.2994 298.4246 -161658.1902 -109369.3080 299.0359 -224.4918 -202.1538 761482.2904 -0.7126 -0.6472 PRESSURE: 4348000 -52.7132 96.4547 25.1774 96.4549 66.4872 -276.802 25.1773 -276.803 188.44 GPRESSURE: 4348000 -11.304 240.473 -37.7222 192.355 39.7906 -224.964 -91.3579 -302.875 238.48 PRESSAVG: 4348000 -32.6409 13.7207 10.8447 13.7207 60.7506 -8.70049 10.8447 -8.7005 30.3665 GPRESSAVG: 4348000 -33.2165 13.9063 9.19476 12.3906 61.8156 -9.17781 10.9862 -10.0676 29.6786 TIMING: 4348000 CPU: 14057.9, 0.00314131/step Wall: 14057.9, 0.00314131/step, 0.568927 hours remaining, 237.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4348000 4093.9438 20534.5037 14457.3072 246.2603 -203592.2986 2627.2628 0.0000 0.0000 51863.3797 -109769.6411 298.0596 -161633.0207 -109409.6167 299.0478 67.4047 88.9890 762265.5069 19.4921 19.4259 PRESSURE: 4348200 -30.8661 71.2041 72.3802 71.2046 -95.6706 -71.3317 72.3804 -71.3318 -165.923 GPRESSURE: 4348200 52.452 -24.3252 -18.2933 70.3615 -115.903 -18.6523 69.0504 -115.482 -134.728 PRESSAVG: 4348200 14.4496 -1.93747 26.0043 -1.93744 -23.4924 5.98318 26.0044 5.98318 -13.5975 GPRESSAVG: 4348200 13.3011 -1.31109 27.4943 -2.49608 -22.2991 5.76794 22.8232 7.66482 -13.9763 TIMING: 4348200 CPU: 14058.5, 0.00312124/step Wall: 14058.5, 0.00312124/step, 0.565118 hours remaining, 237.339844 MB of memory in use. ENERGY: 4348200 4039.4730 20492.2552 14447.6976 233.1741 -203688.1942 2600.3395 0.0000 0.0000 52115.4516 -109759.8031 299.5082 -161875.2548 -109395.1455 298.8012 -97.4865 -66.0594 759854.3782 -7.5468 -7.6581 LDB: ============= START OF LOAD BALANCING ============== 14070.9 LDB: ============== END OF LOAD BALANCING =============== 14070.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14070.9 LDB: ============= START OF LOAD BALANCING ============== 14071.2 LDB: Largest compute 7049 load 0.031309 is 16.0% of average load 0.195483 LDB: Average compute 0.004401 is 2.3% of average load 0.195483 LDB: TIME 14071.2 LOAD: AVG 0.195483 MAX 0.216516 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 14071.2 LOAD: AVG 0.195483 MAX 0.216516 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: TIME 14071.2 LOAD: AVG 0.195483 MAX 0.216516 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: ============== END OF LOAD BALANCING =============== 14071.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14071.3 PRESSURE: 4348400 150.605 -86.9764 5.27603 -86.977 -219.99 -6.33991 5.27647 -6.3401 4.76353 GPRESSURE: 4348400 109.209 -111.919 -69.7413 -157.62 -176.833 81.7271 -130.689 -83.3655 94.015 PRESSAVG: 4348400 8.13998 -22.9838 24.5885 -22.9838 40.472 3.42438 24.5886 3.42437 7.05797 GPRESSAVG: 4348400 8.60194 -23.5341 22.0009 -22.254 39.1857 5.23995 28.5507 1.53381 7.74048 TIMING: 4348400 CPU: 14059.1, 0.00320005/step Wall: 14059.1, 0.00320005/step, 0.57921 hours remaining, 236.996094 MB of memory in use. ENERGY: 4348400 3963.2912 20624.9652 14426.9775 255.2612 -203468.1731 2614.2375 0.0000 0.0000 51856.1521 -109727.2884 298.0180 -161583.4404 -109363.2189 299.3147 -21.5407 8.7969 760219.7876 18.5567 18.5094 PRESSURE: 4348600 -160.132 124.465 32.6069 124.466 -237.865 60.9634 32.607 60.9639 -251.241 GPRESSURE: 4348600 -82.7764 91.5292 26.843 104.382 -251.344 3.73932 -24.5874 -14.9467 -220.046 PRESSAVG: 4348600 50.2714 -8.55237 43.5195 -8.55242 -13.4643 -9.29745 43.5195 -9.29745 37.4405 GPRESSAVG: 4348600 50.5848 -8.41049 47.2732 -9.1838 -12.583 -10.8026 41.4856 -7.38596 36.2703 TIMING: 4348600 CPU: 14059.8, 0.00316081/step Wall: 14059.8, 0.00316081/step, 0.571931 hours remaining, 237.136719 MB of memory in use. ENERGY: 4348600 4062.7616 20404.6158 14473.8871 259.2389 -203447.3483 2456.3475 0.0000 0.0000 52126.6435 -109663.8539 299.5725 -161790.4974 -109305.7960 299.4002 -216.4127 -184.7219 758832.3887 24.7492 24.7574 PRESSURE: 4348800 -39.6771 -53.7855 5.9388 -53.786 -143.86 16.0258 5.93907 16.026 113.671 GPRESSURE: 4348800 26.127 33.5692 35.4142 -95.665 -56.6167 7.02475 69.1814 8.54445 43.961 PRESSAVG: 4348800 -64.0278 -48.6357 37.9935 -48.6358 26.5463 -55.9652 37.9934 -55.9653 -16.8441 GPRESSAVG: 4348800 -64.9145 -48.9841 37.2249 -48.362 27.6753 -54.3241 40.1373 -58.1834 -16.9252 TIMING: 4348800 CPU: 14060.4, 0.00315668/step Wall: 14060.4, 0.00315668/step, 0.571008 hours remaining, 237.136719 MB of memory in use. ENERGY: 4348800 3947.3385 20408.3024 14464.9972 250.3127 -203466.8524 2412.4544 0.0000 0.0000 52222.5226 -109760.9246 300.1236 -161983.4473 -109398.0540 299.0434 -23.2886 4.4905 760124.8054 -18.1085 -18.0548 PRESSURE: 4349000 -246.828 -229.525 243.95 -229.524 48.2856 270.935 243.949 270.934 -102.996 GPRESSURE: 4349000 -172.493 -159.099 334.207 -107.348 105.158 251.995 130.37 127.86 -132.304 PRESSAVG: 4349000 -14.9525 -44.2706 2.45428 -44.2706 25.5581 -1.63532 2.45424 -1.63536 -19.0092 GPRESSAVG: 4349000 -14.711 -44.3729 3.55347 -44.4515 23.8963 -4.41741 0.101158 -0.62493 -18.1529 TIMING: 4349000 CPU: 14061, 0.00316434/step Wall: 14061, 0.00316434/step, 0.572219 hours remaining, 237.136719 MB of memory in use. ENERGY: 4349000 3936.5977 20496.6091 14423.7475 244.9088 -203457.5716 2559.5689 0.0000 0.0000 52002.3405 -109793.7991 298.8582 -161796.1396 -109431.3239 299.0570 -100.5130 -66.5465 760241.9812 -2.8012 -2.9892 PRESSURE: 4349200 43.7445 20.2203 179.447 20.2208 -264.953 135.16 179.447 135.158 25.2165 GPRESSURE: 4349200 55.2894 95.461 194.505 -174.2 -193.49 97.1652 180.694 189.258 4.27463 PRESSAVG: 4349200 -43.3378 7.00795 22.0318 7.00797 14.9354 1.06879 22.0318 1.06871 4.64721 GPRESSAVG: 4349200 -44.3765 7.24342 21.2157 5.11547 14.9829 2.76565 23.9962 0.782811 5.434 TIMING: 4349200 CPU: 14061.7, 0.00316622/step Wall: 14061.7, 0.00316622/step, 0.572382 hours remaining, 237.136719 MB of memory in use. ENERGY: 4349200 4014.5649 20417.5073 14476.1771 246.8766 -203172.9511 2254.6323 0.0000 0.0000 52271.7905 -109491.4025 300.4067 -161763.1930 -109129.3502 298.9356 -65.3307 -44.6419 759903.4376 -7.9184 -7.9865 PRESSURE: 4349400 -173.376 59.8172 -86.4724 59.8169 -108.241 105.73 -86.4722 105.73 -481.218 GPRESSURE: 4349400 -184.726 53.0981 -145.587 47.5426 -99.3111 122.393 -100.978 -5.99491 -416.525 PRESSAVG: 4349400 3.81836 -53.9971 62.1112 -53.9972 -4.94402 35.065 62.1112 35.0651 -12.9212 GPRESSAVG: 4349400 4.787 -53.0767 61.9574 -53.7062 -3.89915 36.1832 60.5794 35.2034 -14.4472 TIMING: 4349400 CPU: 14062.3, 0.00316101/step Wall: 14062.3, 0.00316101/step, 0.571265 hours remaining, 237.136719 MB of memory in use. ENERGY: 4349400 4044.8044 20451.8340 14434.2220 264.4404 -202932.0301 2111.8388 0.0000 0.0000 52087.5455 -109537.3450 299.3478 -161624.8905 -109170.9885 299.5683 -254.2784 -233.5209 760398.9552 -4.6823 -4.5198 PRESSURE: 4349600 -47.6043 89.6136 -130.198 89.6134 381.566 38.7376 -130.199 38.7385 -50.1139 GPRESSURE: 4349600 30.8329 12.368 -167.233 44.2991 325.09 90.1932 -325.934 21.9221 -8.49281 PRESSAVG: 4349600 -38.0062 11.2268 9.287 11.2267 26.1632 5.17351 9.28699 5.17356 1.28455 GPRESSAVG: 4349600 -38.1043 10.1402 7.76878 13.1523 25.9993 5.13205 12.1736 3.49038 1.06946 TIMING: 4349600 CPU: 14063, 0.00320246/step Wall: 14063, 0.00320246/step, 0.578577 hours remaining, 237.277344 MB of memory in use. ENERGY: 4349600 3949.6820 20359.9040 14427.7717 239.8381 -203107.6833 2617.7462 0.0000 0.0000 52025.4342 -109487.3070 298.9909 -161512.7412 -109122.7626 299.5584 94.6159 115.8100 761252.5196 -3.5195 -3.6785 PRESSURE: 4349800 76.9532 249.054 32.8455 249.054 -173.568 34.3863 32.8457 34.3866 18.2594 GPRESSURE: 4349800 110.598 193.364 115.314 178.624 -69.4516 74.9159 130.118 63.7674 -36.669 PRESSAVG: 4349800 24.5852 -14.0568 22.0565 -14.0568 -20.8776 -9.39548 22.0565 -9.39544 -21.7977 GPRESSAVG: 4349800 24.633 -14.5837 22.9988 -14.2468 -21.6024 -9.58846 22.4819 -6.37965 -20.6431 TIMING: 4349800 CPU: 14063.6, 0.00316637/step Wall: 14063.6, 0.00316637/step, 0.571881 hours remaining, 237.277344 MB of memory in use. ENERGY: 4349800 3982.9184 20310.0470 14495.5295 277.1279 -202974.6368 2453.6891 0.0000 0.0000 51824.3930 -109630.9319 297.8355 -161455.3249 -109269.4413 298.8444 -26.1183 1.4925 761910.5585 -6.0300 -5.8709 PRESSURE: 4350000 349.423 -65.4502 350.609 -65.4497 122.557 -144.617 350.61 -144.616 196.104 GPRESSURE: 4350000 363.515 8.74792 177.769 -67.5863 198.326 -49.2684 310.191 -186.327 188.087 PRESSAVG: 4350000 9.20358 2.94619 23.3109 2.94615 27.374 -33.3514 23.3109 -33.3514 5.8546 GPRESSAVG: 4350000 9.91324 1.55682 22.628 2.22245 27.7665 -33.4199 21.7758 -33.0226 4.71527 TIMING: 4350000 CPU: 14064.2, 0.0031571/step Wall: 14064.2, 0.0031571/step, 0.570031 hours remaining, 237.277344 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: 4350000 3932.7450 20476.7179 14462.2789 252.1140 -203652.8087 2822.0699 0.0000 0.0000 52164.0888 -109542.7941 299.7877 -161706.8829 -109187.5342 299.2385 222.6945 249.9762 760317.7646 14.1441 14.1317 PRESSURE: 4350200 -540.008 -70.2613 97.4617 -70.2605 -306.819 -106.731 97.4622 -106.731 -430.374 GPRESSURE: 4350200 -418.432 -95.3232 74.9656 34.5304 -314.793 -132.864 154.174 -97.2745 -443.706 PRESSAVG: 4350200 4.03646 -10.783 -19.2995 -10.783 -5.3818 22.0199 -19.2995 22.0198 -11.3467 GPRESSAVG: 4350200 3.89895 -7.6212 -20.5852 -11.2774 -6.43757 20.7698 -18.6034 21.9834 -9.88525 TIMING: 4350200 CPU: 14064.8, 0.00314276/step Wall: 14064.8, 0.00314276/step, 0.567268 hours remaining, 237.277344 MB of memory in use. ENERGY: 4350200 3959.6444 20412.5786 14481.2447 236.8980 -203073.1709 2283.6033 0.0000 0.0000 51942.3495 -109756.8524 298.5134 -161699.2019 -109393.7686 298.8633 -425.7334 -392.3102 761242.5452 -4.2307 -4.1413 PRESSURE: 4350400 173.951 11.6185 -80.4811 11.6181 -13.2394 173.725 -80.4819 173.725 144.711 GPRESSURE: 4350400 204.491 133.647 -7.63129 75.5327 55.0834 189.468 -133.814 214.391 126.74 PRESSAVG: 4350400 -14.4079 26.1419 44.8306 26.1418 19.1117 9.65878 44.8307 9.6588 -2.16628 GPRESSAVG: 4350400 -13.6559 24.986 45.7304 25.5378 19.6845 10.8112 45.778 8.49998 -3.95785 TIMING: 4350400 CPU: 14065.5, 0.00317152/step Wall: 14065.5, 0.00317152/step, 0.572284 hours remaining, 237.277344 MB of memory in use. ENERGY: 4350400 3919.9128 20598.3411 14393.1323 252.0243 -203464.0091 2434.4190 0.0000 0.0000 52014.9104 -109851.2690 298.9304 -161866.1795 -109494.9169 298.4452 101.8074 128.7716 757734.1640 0.8458 0.6903 PRESSURE: 4350600 94.7434 -42.4298 5.66055 -42.4296 2.90051 101.717 5.66189 101.717 52.2623 GPRESSURE: 4350600 11.7693 -37.8987 84.4919 -124.514 87.121 109.223 166.614 120.32 140.351 PRESSAVG: 4350600 -45.4641 -55.3589 32.7891 -55.3588 7.90785 -15.1586 32.7891 -15.1586 -2.89363 GPRESSAVG: 4350600 -47.7847 -55.9875 32.1765 -55.3106 9.14783 -14.3029 31.8985 -15.3435 -1.47716 TIMING: 4350600 CPU: 14066.1, 0.00315232/step Wall: 14066.1, 0.00315232/step, 0.568644 hours remaining, 237.277344 MB of memory in use. ENERGY: 4350600 3959.7909 20525.6689 14502.4812 264.5683 -203708.4654 2784.0004 0.0000 0.0000 51981.6793 -109690.2764 298.7394 -161671.9557 -109337.1721 298.7007 49.9687 79.7470 762142.4316 -13.4833 -13.3713 PRESSURE: 4350800 -278.531 76.4559 -3.43633 76.4561 -406.766 -228.36 -3.43711 -228.36 -171.539 GPRESSURE: 4350800 -233.438 -55.918 -35.6603 42.4471 -344.227 -163.316 -20.6756 -169.341 -181.133 PRESSAVG: 4350800 -11.7222 -20.3256 22.3324 -20.3256 17.2546 -9.16085 22.3324 -9.16076 -8.29422 GPRESSAVG: 4350800 -10.827 -20.4616 23.5764 -19.3916 17.5196 -9.79636 22.0714 -9.42141 -9.748 TIMING: 4350800 CPU: 14066.7, 0.00314968/step Wall: 14066.7, 0.00314968/step, 0.567993 hours remaining, 237.277344 MB of memory in use. ENERGY: 4350800 4003.1989 20418.0682 14405.3057 231.8383 -203022.5436 2234.3046 0.0000 0.0000 52133.5735 -109596.2545 299.6124 -161729.8280 -109232.0113 299.1118 -285.6121 -252.9328 761348.0968 -0.9206 -1.0185 PRESSURE: 4351000 -175.329 -205.056 -42.1536 -205.055 35.8283 -39.8417 -42.1528 -39.8407 289.538 GPRESSURE: 4351000 -75.7919 -150.005 -77.0357 -53.9017 -2.58211 -9.9192 -45.4775 -35.2336 327.846 PRESSAVG: 4351000 -45.6108 1.10305 -49.5653 1.10307 19.3859 -40.8556 -49.5653 -40.8556 -2.04452 GPRESSAVG: 4351000 -44.5971 2.12554 -49.301 1.85524 17.2432 -40.5582 -50.6725 -41.003 -1.15326 TIMING: 4351000 CPU: 14067.4, 0.00316009/step Wall: 14067.4, 0.00316009/step, 0.569694 hours remaining, 237.277344 MB of memory in use. ENERGY: 4351000 4011.4546 20347.6375 14409.9171 259.0125 -203548.6568 2744.9025 0.0000 0.0000 52134.2824 -109641.4501 299.6164 -161775.7325 -109280.9946 299.3339 50.0125 83.1572 761508.8087 -9.4231 -9.5024 PRESSURE: 4351200 -117.481 -201.324 -35.0158 -201.325 277.501 -153.371 -35.0157 -153.368 -359.81 GPRESSURE: 4351200 -102.971 -131.058 16.5978 -198.644 231.898 -130.309 -42.3409 -141.108 -253.346 PRESSAVG: 4351200 23.5959 3.37682 -58.3146 3.37681 -17.8091 52.7758 -58.3146 52.7758 -13.2294 GPRESSAVG: 4351200 21.2593 4.18194 -59.2527 1.32662 -16.6467 53.1583 -57.5276 52.9158 -12.5847 TIMING: 4351200 CPU: 14068, 0.00314452/step Wall: 14068, 0.00314452/step, 0.566713 hours remaining, 237.277344 MB of memory in use. ENERGY: 4351200 3924.1510 20356.0197 14520.3400 244.4873 -203252.4894 2360.1930 0.0000 0.0000 51940.9110 -109906.3874 298.5051 -161847.2984 -109543.6729 299.2596 -66.5966 -41.4731 761248.2540 -2.4808 -2.6574 PRESSURE: 4351400 -215.246 210.926 83.9666 210.927 -143.404 66.7269 83.966 66.7276 -154.925 GPRESSURE: 4351400 -149.049 203.133 163.935 247.244 -89.1133 111.111 44.7994 11.1963 -184.963 PRESSAVG: 4351400 39.4195 0.679479 -20.4283 0.679473 -86.5136 17.0723 -20.4283 17.0724 -0.875067 GPRESSAVG: 4351400 41.513 1.30856 -20.0286 1.78795 -87.6731 15.4277 -19.4669 17.6726 -1.93727 TIMING: 4351400 CPU: 14068.6, 0.00314301/step Wall: 14068.6, 0.00314301/step, 0.566265 hours remaining, 237.277344 MB of memory in use. ENERGY: 4351400 3966.5116 20500.8321 14381.6631 225.0420 -203039.1504 2392.3893 0.0000 0.0000 51784.3245 -109788.3878 297.6052 -161572.7123 -109433.1373 298.2828 -171.1918 -141.0418 761780.2934 -15.9897 -16.0324 PRESSURE: 4351600 -307.313 14.3751 -4.3971 14.3754 235.857 81.5237 -4.39732 81.523 386.665 GPRESSURE: 4351600 -197.663 -29.283 -6.10463 63.6545 181.395 124.528 -89.8553 71.0675 404.104 PRESSAVG: 4351600 21.1278 4.15863 -6.33656 4.15863 -14.667 34.1385 -6.33651 34.1385 -27.5892 GPRESSAVG: 4351600 20.2324 4.26898 -6.13385 3.72784 -13.1813 34.9754 -10.3979 31.8536 -27.6955 TIMING: 4351600 CPU: 14069.3, 0.00312818/step Wall: 14069.3, 0.00312818/step, 0.56342 hours remaining, 237.277344 MB of memory in use. ENERGY: 4351600 3897.5613 20428.9812 14405.3949 255.5488 -203166.8830 2252.7821 0.0000 0.0000 52030.2920 -109896.3227 299.0188 -161926.6147 -109535.4446 298.0348 105.0696 129.2786 760884.2851 -7.0428 -6.8815 PRESSURE: 4351800 -19.2694 -129.699 5.08335 -129.699 -102.028 38.0844 5.0839 38.0845 45.7431 GPRESSURE: 4351800 -33.2866 -131.661 90.8273 -79.6152 -86.1334 22.4091 100.336 23.3768 124.549 PRESSAVG: 4351800 22.7085 -16.1195 24.2153 -16.1195 -6.8279 -10.8419 24.2153 -10.8419 -10.3975 GPRESSAVG: 4351800 21.796 -18.324 23.8453 -13.8266 -7.13716 -10.2533 28.4612 -5.99047 -9.44083 TIMING: 4351800 CPU: 14069.9, 0.00312957/step Wall: 14069.9, 0.00312957/step, 0.563496 hours remaining, 237.277344 MB of memory in use. ENERGY: 4351800 3939.1858 20506.8358 14454.3299 245.8515 -203317.0678 2538.0590 0.0000 0.0000 51946.3458 -109686.4599 298.5364 -161632.8057 -109334.7170 298.4447 -25.1849 1.7098 761312.8941 1.8277 1.7393 PRESSURE: 4352000 -22.7794 -67.1703 170.829 -67.1705 -306.676 -16.2138 170.83 -16.2135 -293.789 GPRESSURE: 4352000 -0.550283 -136.802 146.299 -138.013 -285.331 61.5084 40.1231 -113.505 -254.672 PRESSAVG: 4352000 -0.886568 10.6246 18.7984 10.6246 34.8441 4.82941 18.7984 4.82935 -12.1463 GPRESSAVG: 4352000 -0.513468 11.9414 19.3506 7.77259 34.9052 4.55776 18.1551 1.5737 -12.1971 TIMING: 4352000 CPU: 14070.5, 0.00314638/step Wall: 14070.5, 0.00314638/step, 0.566349 hours remaining, 237.277344 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: 4352000 3981.6226 20451.5319 14449.6367 247.4874 -202625.5857 2004.8751 0.0000 0.0000 51882.2787 -109608.1532 298.1682 -161490.4320 -109245.2300 298.7120 -207.7480 -180.1845 761844.5440 7.2704 7.3982 PRESSURE: 4352200 -285.131 59.8066 256.342 59.8067 -246.769 35.3683 256.343 35.3684 -130.866 GPRESSURE: 4352200 -239.028 75.1564 233.178 21.4133 -197.921 53.7541 169.315 84.8824 -148.229 PRESSAVG: 4352200 -0.956675 -0.0315849 16.7181 -0.0315781 5.38646 -46.9485 16.7181 -46.9486 0.529698 GPRESSAVG: 4352200 -0.578514 -1.03092 17.9716 1.69312 5.44843 -46.6455 13.5654 -46.2708 0.306612 TIMING: 4352200 CPU: 14071.1, 0.00316432/step Wall: 14071.1, 0.00316432/step, 0.569402 hours remaining, 237.277344 MB of memory in use. ENERGY: 4352200 3978.6176 20623.9800 14463.6516 247.5304 -202804.2304 2190.8957 0.0000 0.0000 51878.3557 -109421.1995 298.1456 -161299.5552 -109057.8954 299.4051 -220.9222 -195.0593 760638.1390 1.6532 1.7255 LDB: ============= START OF LOAD BALANCING ============== 14083.6 LDB: ============== END OF LOAD BALANCING =============== 14083.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14083.6 LDB: ============= START OF LOAD BALANCING ============== 14083.9 LDB: Largest compute 7064 load 0.031526 is 16.1% of average load 0.195469 LDB: Average compute 0.004421 is 2.3% of average load 0.195469 LDB: TIME 14083.9 LOAD: AVG 0.195469 MAX 0.211952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.488 MB LDB: TIME 14083.9 LOAD: AVG 0.195469 MAX 0.211952 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.695 MB LDB: TIME 14083.9 LOAD: AVG 0.195469 MAX 0.211952 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.695 MB LDB: ============== END OF LOAD BALANCING =============== 14083.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14083.9 PRESSURE: 4352400 -97.3027 -95.4496 -74.7577 -95.4508 -112.558 39.2662 -74.758 39.2657 -343.707 GPRESSURE: 4352400 -81.3957 -40.5796 -84.8946 -60.1071 -84.319 21.0968 -121.747 66.0045 -308.815 PRESSAVG: 4352400 40.8883 -69.4125 22.6571 -69.4125 -25.5316 28.425 22.6571 28.425 -20.6465 GPRESSAVG: 4352400 41.2507 -68.4566 20.3018 -69.5288 -26.2644 28.9621 23.6582 27.9489 -20.1289 TIMING: 4352400 CPU: 14071.8, 0.00325221/step Wall: 14071.8, 0.00325221/step, 0.585036 hours remaining, 235.519531 MB of memory in use. ENERGY: 4352400 4014.7476 20644.6881 14490.8420 244.3131 -203206.3146 2272.2602 0.0000 0.0000 52105.1076 -109434.3560 299.4488 -161539.4635 -109074.4975 299.1221 -184.5229 -158.1766 761283.1798 -1.7633 -1.7142 PRESSURE: 4352600 145.37 -40.0602 -9.41809 -40.0607 26.6529 56.2386 -9.41781 56.2393 121.98 GPRESSURE: 4352600 198.328 -92.5926 6.99631 -38.8082 13.7172 88.4671 41.5941 -6.79353 156.888 PRESSAVG: 4352600 34.0734 -17.1895 -36.0551 -17.1895 -19.8962 21.8892 -36.0551 21.8893 -14.7469 GPRESSAVG: 4352600 33.5349 -18.8925 -35.0373 -17.1372 -18.815 20.6712 -35.4275 22.385 -15.7591 TIMING: 4352600 CPU: 14072.4, 0.00321214/step Wall: 14072.4, 0.00321214/step, 0.57765 hours remaining, 235.718750 MB of memory in use. ENERGY: 4352600 3953.6986 20536.5966 14525.2633 263.8701 -202880.8961 2226.4770 0.0000 0.0000 52369.1610 -109005.8296 300.9663 -161374.9906 -108647.2880 300.1913 98.0009 122.9777 760259.2842 -0.1899 -0.3464 PRESSURE: 4352800 217.993 103.178 -206.82 103.178 30.9241 -202.638 -206.821 -202.638 73.257 GPRESSURE: 4352800 204.696 116.361 -120.449 65.4922 31.6257 -170.28 -89.339 -69.8579 162.931 PRESSAVG: 4352800 52.789 -24.233 13.8876 -24.233 -18.2972 9.69936 13.8876 9.69923 -10.4167 GPRESSAVG: 4352800 53.0647 -24.3384 13.7472 -27.5015 -19.9963 11.7247 13.7058 9.32767 -9.40271 TIMING: 4352800 CPU: 14073.1, 0.00317148/step Wall: 14073.1, 0.00317148/step, 0.570162 hours remaining, 236.113281 MB of memory in use. ENERGY: 4352800 3960.0890 20510.4728 14509.3340 237.3423 -202997.4696 2666.5641 0.0000 0.0000 52032.8868 -109080.7806 299.0337 -161113.6674 -108714.5317 300.2852 107.3915 133.0841 761672.1460 8.0250 7.8886 PRESSURE: 4353000 6.12392 -134.9 341.61 -134.9 109.972 32.2374 341.611 32.2378 -49.948 GPRESSURE: 4353000 24.864 -160.302 287.664 -185.948 201.78 -31.8088 290.147 216.272 -59.961 PRESSAVG: 4353000 -20.3494 -19.7501 -33.7953 -19.7501 32.7415 34.3735 -33.7952 34.3735 15.8052 GPRESSAVG: 4353000 -20.5981 -19.0201 -32.8221 -18.1701 33.6964 32.0095 -34.5008 34.3847 15.0886 TIMING: 4353000 CPU: 14073.7, 0.00315992/step Wall: 14073.7, 0.00315992/step, 0.567907 hours remaining, 236.113281 MB of memory in use. ENERGY: 4353000 3932.6055 20705.7711 14484.1158 235.2230 -203078.5061 2583.1125 0.0000 0.0000 52166.4493 -108971.2290 299.8013 -161137.6783 -108618.0101 299.7362 22.0494 55.5609 761492.9885 9.3991 9.3956 PRESSURE: 4353200 -4.62101 36.9669 280.889 36.9669 360.391 -228.413 280.889 -228.412 223.218 GPRESSURE: 4353200 -45.2883 31.4275 215.813 5.28941 480.815 -147.407 240.714 -281.436 233.482 PRESSAVG: 4353200 -11.6013 23.0176 48.0374 23.0177 9.53425 1.48573 48.0375 1.48575 -11.4764 GPRESSAVG: 4353200 -12.6907 23.4357 45.6395 21.709 9.91823 1.96052 50.2057 1.89296 -10.5683 TIMING: 4353200 CPU: 14074.3, 0.00315813/step Wall: 14074.3, 0.00315813/step, 0.567411 hours remaining, 236.113281 MB of memory in use. ENERGY: 4353200 3878.2967 20494.3074 14526.7781 240.6076 -202985.2557 2673.0997 0.0000 0.0000 52249.1778 -108922.9884 300.2767 -161172.1662 -108551.5086 299.9749 192.9961 223.0031 760448.4224 -4.5145 -4.4469 PRESSURE: 4353400 143.512 54.6552 124.402 54.6556 -243.394 -35.4701 124.403 -35.47 -17.2701 GPRESSURE: 4353400 59.0439 87.8829 81.6683 -21.7258 -71.4826 -30.1718 143.923 -47.3495 -15.0255 PRESSAVG: 4353400 -10.6382 -47.0272 10.1338 -47.0272 -57.5728 36.7263 10.1338 36.7263 4.9843 GPRESSAVG: 4353400 -10.4871 -46.0276 9.68032 -45.7968 -57.521 38.1648 8.87666 34.2381 4.54864 TIMING: 4353400 CPU: 14075, 0.00313558/step Wall: 14075, 0.00313558/step, 0.563184 hours remaining, 236.113281 MB of memory in use. ENERGY: 4353400 4061.7824 20509.6180 14444.2046 253.9683 -202723.1934 2308.3593 0.0000 0.0000 52124.7576 -109020.5032 299.5617 -161145.2608 -108666.5295 299.9378 -39.0509 -9.1548 761031.4953 -21.0756 -21.1531 PRESSURE: 4353600 -47.4346 -141.45 -160.702 -141.45 60.2809 21.1607 -160.702 21.1603 -11.8944 GPRESSURE: 4353600 50.6923 -230.239 -156.083 -270.4 16.8626 62.0746 -74.641 55.555 10.6104 PRESSAVG: 4353600 50.4713 -19.9668 1.94129 -19.9669 -43.3291 42.9368 1.94129 42.9367 -10.282 GPRESSAVG: 4353600 51.1047 -19.8233 2.2999 -22.4617 -44.6 42.017 3.73596 45.3988 -10.1497 TIMING: 4353600 CPU: 14075.6, 0.00313611/step Wall: 14075.6, 0.00313611/step, 0.563106 hours remaining, 236.113281 MB of memory in use. ENERGY: 4353600 3944.8247 20458.3321 14457.3118 250.2400 -202884.2748 2229.9859 0.0000 0.0000 52227.1098 -109316.4705 300.1499 -161543.5804 -108951.4663 300.4622 0.3173 26.0551 760207.5976 -1.0466 -1.2150 PRESSURE: 4353800 159.607 -140.416 -111.958 -140.416 -223.166 -150.649 -111.959 -150.648 -36.3122 GPRESSURE: 4353800 160.959 -81.2218 -184.89 -178.196 -135.888 -133.397 -68.3465 -134.857 -41.3623 PRESSAVG: 4353800 54.2217 -29.6066 -7.49203 -29.6065 -48.4676 -33.2577 -7.49201 -33.2577 -21.7318 GPRESSAVG: 4353800 54.9289 -30.1887 -6.67925 -28.641 -47.9105 -34.3738 -8.22337 -31.8866 -22.808 TIMING: 4353800 CPU: 14076.2, 0.00314903/step Wall: 14076.2, 0.00314903/step, 0.565252 hours remaining, 236.113281 MB of memory in use. ENERGY: 4353800 3922.9084 20504.4747 14418.2534 225.3438 -203011.7217 2238.1118 0.0000 0.0000 52287.7374 -109414.8923 300.4983 -161702.6296 -109046.5726 299.2773 -33.2904 -5.4306 759287.6401 -5.3259 -5.2632 PRESSURE: 4354000 -364.89 24.1351 53.1575 24.1356 44.5875 -84.6989 53.1573 -84.6988 -79.3472 GPRESSURE: 4354000 -250.764 48.1939 96.8872 -89.3027 -9.26311 -28.7377 -83.8648 -74.4961 -44.1882 PRESSAVG: 4354000 17.6935 13.5135 43.8551 13.5135 -13.2912 34.4007 43.8552 34.4005 11.8388 GPRESSAVG: 4354000 18.4543 13.7893 42.8338 14.125 -14.0791 34.3965 46.3755 34.1036 11.3592 TIMING: 4354000 CPU: 14076.8, 0.00315126/step Wall: 14076.8, 0.00315126/step, 0.565476 hours remaining, 236.113281 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: 4354000 3937.4504 20478.0568 14476.5356 244.2729 -202652.0332 2312.4608 0.0000 0.0000 52013.2775 -109189.9792 298.9210 -161203.2567 -108831.7910 299.7583 -133.2166 -101.4050 761459.0037 5.4137 5.2448 PRESSURE: 4354200 -197.613 -123.05 -153.169 -123.049 -356.627 197.02 -153.17 197.019 -547.522 GPRESSURE: 4354200 -198.734 -189.965 -181.704 -252.686 -244.692 183.429 -137.294 99.4072 -564.518 PRESSAVG: 4354200 44.6103 -4.38658 87.1385 -4.38656 -23.5371 -49.0414 87.1384 -49.0414 -1.86124 GPRESSAVG: 4354200 42.1481 -7.08804 87.5571 -4.00922 -22.8799 -50.1155 84.5735 -50.4179 0.315898 TIMING: 4354200 CPU: 14077.5, 0.0031341/step Wall: 14077.5, 0.0031341/step, 0.562223 hours remaining, 236.113281 MB of memory in use. ENERGY: 4354200 3970.1663 20480.7853 14475.2714 267.5853 -202701.4354 2001.6857 0.0000 0.0000 52211.2519 -109294.6894 300.0588 -161505.9413 -108934.2181 299.7289 -367.2542 -335.9814 760976.9655 6.4040 6.5280 PRESSURE: 4354400 146.558 -93.3763 -47.9143 -93.3768 -234.134 -180.253 -47.9139 -180.253 31.1054 GPRESSURE: 4354400 174.445 -78.7024 -157.466 -73.6657 -256.987 -218.804 -56.8624 -121.523 91.8683 PRESSAVG: 4354400 -9.82466 10.823 38.6546 10.8231 -15.8473 -18.8449 38.6546 -18.8449 20.6268 GPRESSAVG: 4354400 -8.61769 13.4189 38.2861 10.0025 -16.0348 -17.6926 39.7305 -18.6393 19.4879 TIMING: 4354400 CPU: 14078.1, 0.00313678/step Wall: 14078.1, 0.00313678/step, 0.56253 hours remaining, 236.113281 MB of memory in use. ENERGY: 4354400 3882.0975 20576.1315 14515.4394 252.4631 -202683.5352 2174.2914 0.0000 0.0000 52097.0338 -109186.0784 299.4024 -161283.1122 -108821.8338 299.6746 -18.8235 3.1086 762700.2982 -1.6817 -1.7215 PRESSURE: 4354600 -135.2 -181.567 60.0017 -181.567 39.3841 223.092 60.0014 223.092 -33.2119 GPRESSURE: 4354600 -42.9277 -123.164 167.396 -203.916 63.2068 151.005 -29.726 184.187 -59.0367 PRESSAVG: 4354600 25.9189 0.059546 38.2832 0.0595586 -14.2422 0.769681 38.2832 0.769673 9.15793 GPRESSAVG: 4354600 24.6045 0.25463 39.7388 1.3597 -14.7404 -0.821097 35.572 1.93804 10.6935 TIMING: 4354600 CPU: 14078.7, 0.00313594/step Wall: 14078.7, 0.00313594/step, 0.562204 hours remaining, 236.113281 MB of memory in use. ENERGY: 4354600 4067.6486 20623.7837 14486.1783 233.1171 -203288.6445 2630.2809 0.0000 0.0000 52022.7254 -109224.9106 298.9753 -161247.6359 -108862.8014 299.7253 -43.0092 -12.9192 761348.2538 6.9449 6.8526 PRESSURE: 4354800 -89.073 -80.2712 -310.322 -80.2713 -4.40545 -85.2256 -310.323 -85.2253 321.889 GPRESSURE: 4354800 4.0389 1.68631 -342.275 -107.192 8.60565 -84.4344 -98.3047 -10.2399 292.006 PRESSAVG: 4354800 38.6858 -32.7191 10.2374 -32.7191 -54.9362 -40.8288 10.2375 -40.8288 2.71336 GPRESSAVG: 4354800 40.9474 -32.0685 10.9115 -34.436 -54.9891 -38.5141 10.5446 -42.7126 0.610355 TIMING: 4354800 CPU: 14079.4, 0.00313272/step Wall: 14079.4, 0.00313272/step, 0.561452 hours remaining, 236.113281 MB of memory in use. ENERGY: 4354800 4031.3520 20584.2518 14533.4852 252.6626 -203279.6031 2607.1085 0.0000 0.0000 52167.7569 -109102.9860 299.8088 -161270.7429 -108737.9056 299.4735 76.1370 101.5503 762002.5287 -4.5123 -4.4771 PRESSURE: 4355000 -12.7835 -122.74 179.029 -122.74 -186.742 -103.192 179.029 -103.192 -571.724 GPRESSURE: 4355000 53.9302 -172.272 170.71 -224.268 -155.007 -130.894 135.851 -147.663 -588.776 PRESSAVG: 4355000 49.41 18.3634 11.4057 18.3634 -43.8567 -25.7079 11.4056 -25.7079 -6.61217 GPRESSAVG: 4355000 49.2096 16.8287 10.0045 19.0862 -45.6457 -26.7173 14.1994 -23.0478 -5.31856 TIMING: 4355000 CPU: 14080, 0.00313568/step Wall: 14080, 0.00313568/step, 0.561809 hours remaining, 236.113281 MB of memory in use. ENERGY: 4355000 4118.1469 20526.6152 14585.9193 248.3526 -203126.1966 2428.2495 0.0000 0.0000 51960.6938 -109258.2192 298.6188 -161218.9131 -108901.9124 299.6595 -257.0829 -229.9509 762431.2428 -0.3530 -0.5849 PRESSURE: 4355200 104.876 -320.125 -17.2093 -320.125 -560.529 145.675 -17.2096 145.674 169.887 GPRESSURE: 4355200 160.637 -252.68 -10.3382 -333.9 -457.958 191.292 104.776 284.374 112.835 PRESSAVG: 4355200 33.6431 -16.0472 -27.7943 -16.0472 -23.0928 17.3936 -27.7943 17.3936 -21.4623 GPRESSAVG: 4355200 33.1778 -16.7002 -27.4073 -15.1973 -21.7134 17.4024 -28.6021 16.9101 -21.7415 TIMING: 4355200 CPU: 14080.6, 0.00314361/step Wall: 14080.6, 0.00314361/step, 0.563056 hours remaining, 236.113281 MB of memory in use. ENERGY: 4355200 4034.1759 20507.5579 14448.6199 251.6227 -203673.1575 2901.8898 0.0000 0.0000 52253.4469 -109275.8445 300.3013 -161529.2914 -108913.8187 300.0844 -95.2551 -61.4953 762944.8093 -3.6373 -3.4257 PRESSURE: 4355400 238.465 -193.278 190.788 -193.278 183.682 175.678 190.789 175.679 -136.119 GPRESSURE: 4355400 153.086 -21.8501 168.114 -116.687 238.223 211.654 14.2111 162.323 -10.235 PRESSAVG: 4355400 11.797 -25.0824 13.4798 -25.0824 -4.92256 58.4627 13.4798 58.4627 -10.3084 GPRESSAVG: 4355400 11.3593 -23.9861 12.7732 -27.3339 -5.20027 59.4897 11.864 57.8074 -9.99198 TIMING: 4355400 CPU: 14081.2, 0.00316122/step Wall: 14081.2, 0.00316122/step, 0.566035 hours remaining, 236.113281 MB of memory in use. ENERGY: 4355400 4004.9957 20622.6662 14495.8034 262.9213 -203268.5898 2400.0730 0.0000 0.0000 51966.7998 -109515.3305 298.6539 -161482.1303 -109163.4678 299.4705 95.3425 127.0247 761153.5576 -1.1446 -1.2777 PRESSURE: 4355600 200.62 114.399 -36.0064 114.4 111.877 33.1368 -36.0075 33.1368 178.232 GPRESSURE: 4355600 311.867 66.906 9.84972 196.708 88.9093 -73.6726 10.1147 85.3909 161.877 PRESSAVG: 4355600 -19.1352 -7.55788 -41.9821 -7.55794 3.59568 56.7638 -41.9821 56.7638 6.91388 GPRESSAVG: 4355600 -18.1409 -7.05742 -40.6197 -7.80552 4.50502 54.7542 -41.4436 57.5692 5.73644 TIMING: 4355600 CPU: 14081.9, 0.00313668/step Wall: 14081.9, 0.00313668/step, 0.561465 hours remaining, 236.113281 MB of memory in use. ENERGY: 4355600 3951.6941 20590.1551 14499.6874 251.1838 -203187.3455 2440.6374 0.0000 0.0000 52036.3827 -109417.6049 299.0538 -161453.9876 -109055.2023 299.6913 163.5760 187.5509 761086.5860 -2.8752 -2.6331 PRESSURE: 4355800 62.0061 -18.3331 -0.438156 -18.3332 -163.75 9.15049 -0.437932 9.15111 280.701 GPRESSURE: 4355800 208.69 -76.7099 12.3777 70.2211 -206.945 67.5904 36.51 -99.3378 264.599 PRESSAVG: 4355800 59.1225 -28.276 -76.9951 -28.276 -14.8426 42.1953 -76.9951 42.1954 8.39466 GPRESSAVG: 4355800 58.8464 -29.0103 -78.4404 -24.8444 -14.8488 45.0045 -74.5391 37.6029 8.38967 TIMING: 4355800 CPU: 14082.5, 0.00314475/step Wall: 14082.5, 0.00314475/step, 0.562736 hours remaining, 236.113281 MB of memory in use. ENERGY: 4355800 3928.2639 20622.7080 14488.4175 246.4630 -203037.8493 2252.3328 0.0000 0.0000 52260.8092 -109238.8548 300.3436 -161499.6640 -108874.5678 299.6166 59.6523 88.7812 760879.6325 17.5582 17.4624 PRESSURE: 4356000 153.321 -54.1311 334.746 -54.1305 -269.251 -238.985 334.746 -238.985 37.2203 GPRESSURE: 4356000 271.208 -28.6763 147.048 -28.8273 -277.746 -286.312 248.671 -99.2509 23.6347 PRESSAVG: 4356000 25.9711 -4.08123 31.8064 -4.08122 -42.0029 18.6886 31.8065 18.6886 -9.72614 GPRESSAVG: 4356000 25.9728 -4.22824 32.7048 -5.60748 -41.3514 15.3761 29.7733 23.1888 -10.4576 TIMING: 4356000 CPU: 14083.1, 0.00312595/step Wall: 14083.1, 0.00312595/step, 0.559197 hours remaining, 236.113281 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: 4356000 4041.7543 20412.8663 14450.8593 239.8427 -203120.5013 2469.2921 0.0000 0.0000 52066.4828 -109439.4038 299.2268 -161505.8866 -109064.7872 299.9750 -26.2365 5.6990 759904.5408 -8.5860 -8.6121 PRESSURE: 4356200 -324.971 37.2053 99.0685 37.2049 91.3203 204.762 99.0679 204.762 -312.669 GPRESSURE: 4356200 -371.092 29.8132 89.1308 61.3652 95.0924 239.49 105.655 57.9938 -200.841 PRESSAVG: 4356200 16.0465 33.6508 22.706 33.6508 -31.3083 -1.75762 22.706 -1.75764 3.01788 GPRESSAVG: 4356200 15.9575 33.2537 21.0582 35.0501 -32.9482 -0.448572 24.0676 -2.31107 4.40834 TIMING: 4356200 CPU: 14083.8, 0.00313877/step Wall: 14083.8, 0.00313877/step, 0.561317 hours remaining, 236.113281 MB of memory in use. ENERGY: 4356200 4100.5925 20488.2987 14441.9174 231.0865 -202853.0039 2226.4444 0.0000 0.0000 52037.1106 -109327.5538 299.0580 -161364.6643 -108965.1287 299.7441 -182.1063 -158.9470 762135.4135 -4.0813 -4.1941 LDB: ============= START OF LOAD BALANCING ============== 14096.2 LDB: ============== END OF LOAD BALANCING =============== 14096.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14096.2 LDB: ============= START OF LOAD BALANCING ============== 14096.5 LDB: Largest compute 7068 load 0.031875 is 16.3% of average load 0.195531 LDB: Average compute 0.004403 is 2.3% of average load 0.195531 LDB: TIME 14096.5 LOAD: AVG 0.195531 MAX 0.213683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 14096.5 LOAD: AVG 0.195531 MAX 0.213683 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 14096.5 LOAD: AVG 0.195531 MAX 0.213683 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 14096.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14096.5 PRESSURE: 4356400 -28.5086 -235.153 -4.44397 -235.152 34.0865 89.604 -4.44383 89.6041 168.635 GPRESSURE: 4356400 56.9958 -237.377 32.8665 -179.08 47.4337 8.36664 -27.2695 48.2687 153.441 PRESSAVG: 4356400 37.8672 -27.9604 46.929 -27.9604 -28.8605 -10.525 46.929 -10.5249 -3.68696 GPRESSAVG: 4356400 36.8488 -27.9861 47.7996 -28.5986 -26.7888 -10.595 48.3009 -9.82004 -4.4239 TIMING: 4356400 CPU: 14084.4, 0.00318462/step Wall: 14084.4, 0.00318462/step, 0.56934 hours remaining, 235.453125 MB of memory in use. ENERGY: 4356400 4025.7709 20522.4847 14498.7880 239.4244 -203373.3866 2799.0115 0.0000 0.0000 52167.7968 -109120.1103 299.8090 -161287.9070 -108758.1576 299.6146 58.0709 85.9567 761545.2977 1.7733 1.8787 PRESSURE: 4356600 108.198 -108.315 -46.9215 -108.315 -197.305 -15.439 -46.9218 -15.4378 -620.554 GPRESSURE: 4356600 -1.48906 -54.0212 -39.6863 -42.5241 -144.2 -43.0471 -82.0513 -10.226 -473.673 PRESSAVG: 4356600 -14.545 -50.8029 19.3225 -50.8029 -23.0864 15.5265 19.3224 15.5266 4.91808 GPRESSAVG: 4356600 -15.3044 -50.6079 21.2802 -50.4178 -23.2943 16.4227 17.3333 13.5803 5.82758 TIMING: 4356600 CPU: 14085, 0.00314181/step Wall: 14085, 0.00314181/step, 0.561511 hours remaining, 235.453125 MB of memory in use. ENERGY: 4356600 4030.9338 20722.0984 14439.7559 237.5434 -203064.9250 2427.7504 0.0000 0.0000 51981.5405 -109225.3026 298.7386 -161206.8431 -108872.8150 299.3480 -236.5536 -206.4540 763572.4891 -10.9044 -10.9237 PRESSURE: 4356800 -98.6146 67.159 47.8858 67.1593 52.5852 15.5646 47.8863 15.5643 -361.961 GPRESSURE: 4356800 -24.9345 52.9632 95.411 47.3762 43.6323 1.34561 -50.6126 -22.0566 -329.132 PRESSAVG: 4356800 15.8173 -63.2948 19.244 -63.2949 -47.3162 -26.6729 19.244 -26.6729 -16.4088 GPRESSAVG: 4356800 16.676 -61.3828 20.2326 -64.6392 -46.8444 -27.9911 18.6355 -26.4253 -17.3748 TIMING: 4356800 CPU: 14085.6, 0.00313178/step Wall: 14085.6, 0.00313178/step, 0.559544 hours remaining, 235.726562 MB of memory in use. ENERGY: 4356800 4043.3316 20535.6891 14382.8261 257.1644 -203296.3943 2665.9751 0.0000 0.0000 51999.6933 -109411.7148 298.8430 -161411.4081 -109047.7272 299.7651 -135.9967 -103.4782 761738.9883 -15.9692 -15.8477 PRESSURE: 4357000 195.903 45.8713 142.87 45.8728 155.475 147.5 142.87 147.5 285.877 GPRESSURE: 4357000 238.952 -54.864 125.108 -9.37343 189.79 100.952 218.08 139.2 295.473 PRESSAVG: 4357000 1.39754 -14.023 -29.3089 -14.0229 -16.3993 15.7651 -29.3089 15.7651 -5.00965 GPRESSAVG: 4357000 1.83716 -15.7878 -30.8386 -14.0443 -17.8571 14.6048 -27.7418 17.6669 -4.2978 TIMING: 4357000 CPU: 14086.3, 0.0031309/step Wall: 14086.3, 0.0031309/step, 0.559214 hours remaining, 235.726562 MB of memory in use. ENERGY: 4357000 3971.3290 20517.2208 14360.6201 245.9427 -203259.4668 2531.5769 0.0000 0.0000 52272.2330 -109360.5444 300.4092 -161632.7774 -108987.4767 299.4361 212.4184 241.4053 761538.9033 -6.6705 -6.7726 PRESSURE: 4357200 237.436 -204.931 -132.663 -204.931 -235.784 220.605 -132.664 220.606 -144.122 GPRESSURE: 4357200 123.394 -75.4305 -139.869 -200.776 -67.9823 239.391 -152.562 46.1579 -100.333 PRESSAVG: 4357200 15.2563 -16.7847 -25.7067 -16.7847 -22.9436 0.650277 -25.7067 0.650276 -16.7161 GPRESSAVG: 4357200 14.8698 -15.8699 -26.0367 -15.3064 -21.7474 3.51787 -26.5248 -1.2365 -17.6377 TIMING: 4357200 CPU: 14086.9, 0.00311929/step Wall: 14086.9, 0.00311929/step, 0.556967 hours remaining, 235.726562 MB of memory in use. ENERGY: 4357200 4041.6450 20310.1741 14397.8597 248.2066 -203380.1403 2704.5315 0.0000 0.0000 52056.0991 -109621.6242 299.1671 -161677.7234 -109255.8275 299.4797 -47.4903 -14.9739 762786.6246 -8.1345 -8.1718 PRESSURE: 4357400 -405.727 -126.649 68.48 -126.65 -64.6641 -32.0897 68.4802 -32.0881 -252.463 GPRESSURE: 4357400 -335.026 -49.0299 68.9281 -28.7629 -45.3492 35.4056 56.058 -76.1867 -252.272 PRESSAVG: 4357400 43.8511 -67.1881 -54.0033 -67.1881 -45.448 31.4643 -54.0032 31.4643 -20.3966 GPRESSAVG: 4357400 45.4529 -68.2146 -54.5452 -67.9228 -47.2369 30.5444 -53.8567 30.373 -20.0387 TIMING: 4357400 CPU: 14087.5, 0.00312143/step Wall: 14087.5, 0.00312143/step, 0.557176 hours remaining, 235.726562 MB of memory in use. ENERGY: 4357400 3924.5928 20549.1374 14350.2360 229.9202 -203507.8380 2699.6297 0.0000 0.0000 51947.1006 -109807.2213 298.5407 -161754.3219 -109441.1565 298.1431 -240.9515 -210.8825 762517.6849 -7.3312 -7.2742 PRESSURE: 4357600 162.653 54.0185 -109.772 54.0184 42.343 -54.6702 -109.772 -54.6697 -335.913 GPRESSURE: 4357600 173.317 116.004 -22.1041 -39.2847 184.402 -38.9328 -110.704 -74.6919 -422.047 PRESSAVG: 4357600 77.4929 -51.8668 -6.69769 -51.8668 -38.2078 22.5197 -6.69774 22.5197 -5.09618 GPRESSAVG: 4357600 75.9836 -49.7676 -5.72251 -54.2591 -36.8717 23.5989 -6.36378 24.3959 -5.54161 TIMING: 4357600 CPU: 14088.1, 0.00312014/step Wall: 14088.1, 0.00312014/step, 0.556772 hours remaining, 235.726562 MB of memory in use. ENERGY: 4357600 4023.2778 20409.3955 14426.5399 242.3122 -203534.1032 2639.5084 0.0000 0.0000 52051.7102 -109741.3591 299.1419 -161793.0693 -109385.9891 299.1572 -43.6388 -21.4428 761913.6296 11.3963 11.1901 PRESSURE: 4357800 7.10102 -154.013 -100.835 -154.013 -19.2654 -34.1887 -100.835 -34.1888 271.228 GPRESSURE: 4357800 47.4536 -149.268 -117.232 -221.34 14.5006 -35.8982 -75.6842 -151.999 284.09 PRESSAVG: 4357800 85.5396 -32.2778 9.80009 -32.2778 -59.9411 22.484 9.80013 22.484 10.7586 GPRESSAVG: 4357800 84.7541 -34.3077 9.40005 -31.4105 -59.2077 21.6321 10.8107 19.515 10.6985 TIMING: 4357800 CPU: 14088.8, 0.00314129/step Wall: 14088.8, 0.00314129/step, 0.560372 hours remaining, 235.726562 MB of memory in use. ENERGY: 4357800 3965.3086 20454.8238 14456.6605 260.4457 -203655.1393 2620.2823 0.0000 0.0000 52190.1340 -109707.4843 299.9374 -161897.6183 -109346.5642 298.9102 86.3547 115.3482 760453.1616 12.1191 12.0816 PRESSURE: 4358000 -182.787 -101.468 276.857 -101.468 -181.094 140.412 276.857 140.411 -291.864 GPRESSURE: 4358000 -107.688 -0.641318 355.244 -140.613 -266.826 167.325 136.409 107.17 -207.196 PRESSAVG: 4358000 31.0812 -52.1846 9.28397 -52.1846 1.14097 14.3519 9.28387 14.3519 -13.0435 GPRESSAVG: 4358000 32.2746 -51.6177 8.99641 -53.9227 -1.54515 14.7863 7.63754 17.1823 -11.8185 TIMING: 4358000 CPU: 14089.4, 0.00313918/step Wall: 14089.4, 0.00313918/step, 0.559821 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4358000 4050.6523 20521.3083 14457.1501 266.2742 -203314.1560 2294.4796 0.0000 0.0000 52017.9357 -109706.3557 298.9478 -161724.2915 -109346.2311 299.2484 -218.5818 -193.9034 760550.0294 6.3929 6.3036 PRESSURE: 4358200 -83.9135 64.8496 -20.4079 64.849 115.256 275.647 -20.4084 275.646 172.609 GPRESSURE: 4358200 -39.0352 -22.3905 -1.40071 2.22643 195.899 297.27 0.996985 250.884 129.725 PRESSAVG: 4358200 -34.3465 -23.3613 -31.752 -23.3613 2.41745 32.2583 -31.752 32.2583 33.4815 GPRESSAVG: 4358200 -34.6792 -25.1638 -31.4272 -21.7334 2.8716 31.9437 -28.8411 31.3409 32.9151 TIMING: 4358200 CPU: 14090, 0.00316773/step Wall: 14090, 0.00316774/step, 0.564737 hours remaining, 235.726562 MB of memory in use. ENERGY: 4358200 3952.9017 20443.1117 14427.2831 262.8158 -203603.8430 2755.5316 0.0000 0.0000 52124.4359 -109637.7632 299.5598 -161762.1991 -109272.7244 298.5793 67.9839 95.5299 760887.1167 0.5175 0.3692 PRESSURE: 4358400 -206.833 14.0429 111.864 14.0436 85.7185 -226.115 111.865 -226.114 -1.15335 GPRESSURE: 4358400 -178.716 -36.0024 69.7042 67.7661 91.9235 -198.828 -6.36593 -388.34 51.0114 PRESSAVG: 4358400 -41.2211 -40.261 -0.294762 -40.2609 -1.1315 34.5432 -0.294781 34.5432 22.3517 GPRESSAVG: 4358400 -41.4566 -38.9148 -0.298987 -41.9088 -1.12171 33.7454 -4.32885 35.1187 22.3789 TIMING: 4358400 CPU: 14090.7, 0.00313007/step Wall: 14090.7, 0.00313007/step, 0.557848 hours remaining, 235.726562 MB of memory in use. ENERGY: 4358400 4009.2700 20597.8973 14407.1661 249.5031 -203697.9710 2629.6925 0.0000 0.0000 52327.3605 -109477.0816 300.7261 -161804.4421 -109114.8935 299.4677 -40.7561 -11.9269 760934.7984 -6.6670 -6.7331 PRESSURE: 4358600 28.445 208.248 -106.28 208.248 -164.822 -7.89226 -106.279 -7.89174 -233.031 GPRESSURE: 4358600 128.162 153.927 -46.6895 162.933 -150.527 -45.2661 -89.3672 -11.2169 -271.515 PRESSAVG: 4358600 54.5893 1.78733 -11.0748 1.78733 -47.8691 19.9641 -11.0748 19.9642 -5.29102 GPRESSAVG: 4358600 54.9559 2.29674 -9.18337 3.76952 -47.0134 19.5699 -10.4737 22.0444 -6.11403 TIMING: 4358600 CPU: 14091.3, 0.00314456/step Wall: 14091.3, 0.00314456/step, 0.560255 hours remaining, 235.726562 MB of memory in use. ENERGY: 4358600 4017.6685 20502.7450 14456.8541 232.6721 -203278.7826 2582.8117 0.0000 0.0000 52281.1003 -109204.9310 300.4602 -161486.0312 -108846.5058 300.2036 -123.1360 -97.9599 760879.4873 0.4764 0.6095 PRESSURE: 4358800 27.6358 68.9588 -90.3101 68.9585 392.232 -105.042 -90.3089 -105.04 -307.037 GPRESSURE: 4358800 87.7348 51.6818 -79.1418 79.5358 372.309 -153.26 -34.9915 -73.1875 -248.245 PRESSAVG: 4358800 46.0117 -9.34622 21.1709 -9.34628 -68.4921 -9.02633 21.1709 -9.02638 -21.7314 GPRESSAVG: 4358800 45.9783 -10.1393 21.8055 -10.9541 -67.2983 -7.99686 20.2516 -8.79163 -22.2299 TIMING: 4358800 CPU: 14091.9, 0.00314116/step Wall: 14091.9, 0.00314115/step, 0.559475 hours remaining, 235.871094 MB of memory in use. ENERGY: 4358800 3948.7646 20535.3106 14449.8303 247.4208 -203390.6408 2683.6800 0.0000 0.0000 52113.3673 -109412.2674 299.4962 -161525.6346 -109043.8804 299.8154 37.6102 70.5996 759528.0934 -14.7373 -14.5166 PRESSURE: 4359000 -76.2981 -163.963 -108.92 -163.963 208.908 0.0977612 -108.92 0.0981905 -204.312 GPRESSURE: 4359000 48.0093 -65.5523 -76.5146 -114.855 202.138 11.2441 -131.024 -76.4718 -226.768 PRESSAVG: 4359000 17.2559 -3.19104 -22.3251 -3.19113 42.5455 -5.83028 -22.3251 -5.83033 5.67244 GPRESSAVG: 4359000 17.1251 -1.71722 -26.7679 -2.47567 40.4109 -3.92345 -17.0312 -9.37416 8.08424 TIMING: 4359000 CPU: 14092.5, 0.00313999/step Wall: 14092.5, 0.00314/step, 0.559094 hours remaining, 235.871094 MB of memory in use. ENERGY: 4359000 4007.1734 20584.6825 14504.6509 242.3888 -203434.9233 2552.9636 0.0000 0.0000 52095.1028 -109447.9613 299.3913 -161543.0640 -109089.6247 299.5879 -23.9004 7.7932 759816.4000 21.8246 21.8734 PRESSURE: 4359200 152.723 209.707 60.278 209.707 -70.9563 -170.994 60.2778 -170.994 263.121 GPRESSURE: 4359200 197.917 208.564 30.7715 194.943 -17.16 -138.54 -20.5958 -81.6705 252.389 PRESSAVG: 4359200 -9.42852 -18.8786 -2.09139 -18.8786 0.658403 41.8983 -2.09137 41.8984 20.2262 GPRESSAVG: 4359200 -7.96727 -19.3753 -0.0657793 -18.3029 0.374408 40.265 -1.20278 41.9246 18.449 TIMING: 4359200 CPU: 14093.2, 0.00313092/step Wall: 14093.2, 0.00313092/step, 0.557304 hours remaining, 235.871094 MB of memory in use. ENERGY: 4359200 4035.3447 20524.1077 14475.0971 254.9734 -203606.9342 2710.6667 0.0000 0.0000 52146.4046 -109460.3399 299.6861 -161606.7445 -109086.1833 299.9444 114.9627 144.3822 760228.9346 3.8187 3.6187 PRESSURE: 4359400 -292.692 282.352 -27.0642 282.353 15.1506 209.454 -27.0645 209.455 101.753 GPRESSURE: 4359400 -305.23 234.079 -77.0883 185.6 88.9274 218.234 -71.384 257.255 131.973 PRESSAVG: 4359400 5.02586 -42.8616 0.0887007 -42.8616 17.6805 -4.60951 0.088684 -4.60944 -20.5854 GPRESSAVG: 4359400 4.4839 -44.0407 -0.500732 -43.171 19.0377 -3.13323 -4.85992 -3.58292 -20.8752 TIMING: 4359400 CPU: 14093.8, 0.00312396/step Wall: 14093.8, 0.00312396/step, 0.555891 hours remaining, 235.871094 MB of memory in use. ENERGY: 4359400 3995.2257 20492.2749 14454.8160 249.4763 -203481.4755 2479.1933 0.0000 0.0000 52187.7871 -109622.7021 299.9239 -161810.4892 -109263.2936 300.0141 -58.5962 -28.1098 761000.8655 0.7070 0.8821 PRESSURE: 4359600 -93.8912 -82.6234 195.029 -82.6225 -1.86485 -16.2723 195.03 -16.2718 133.848 GPRESSURE: 4359600 -33.5111 -133.576 165.861 61.5948 29.6222 15.522 232.233 -83.3303 112.043 PRESSAVG: 4359600 34.506 -38.5112 -15.2672 -38.5112 -16.172 2.90965 -15.2672 2.90973 9.72303 GPRESSAVG: 4359600 33.9746 -37.4594 -15.2982 -36.5431 -16.1638 2.9029 -12.4892 2.50516 10.1035 TIMING: 4359600 CPU: 14094.4, 0.00313671/step Wall: 14094.4, 0.00313671/step, 0.557985 hours remaining, 235.871094 MB of memory in use. ENERGY: 4359600 3991.9332 20371.9141 14454.6137 244.5126 -203105.5903 2355.8975 0.0000 0.0000 51945.4450 -109741.2742 298.5312 -161686.7192 -109384.7887 299.0446 12.6973 36.0515 761871.7110 9.3524 9.3048 PRESSURE: 4359800 -164.313 -24.3288 -130.721 -24.3285 -32.9355 23.2443 -130.722 23.2447 -84.6972 GPRESSURE: 4359800 -112.536 -27.0287 -108.795 -94.4002 -11.2942 48.1136 -223.38 15.5347 -65.4037 PRESSAVG: 4359800 -11.9971 0.0107625 -42.2676 0.0107672 15.9988 48.045 -42.2675 48.0449 -3.32899 GPRESSAVG: 4359800 -13.0259 -1.06562 -41.9464 0.446063 17.4157 49.5815 -44.9191 46.6494 -2.99946 TIMING: 4359800 CPU: 14095, 0.0031227/step Wall: 14095, 0.0031227/step, 0.55532 hours remaining, 235.871094 MB of memory in use. ENERGY: 4359800 3963.9081 20588.2517 14355.8956 247.1254 -202906.1521 2170.6072 0.0000 0.0000 51955.4394 -109624.9247 298.5886 -161580.3641 -109260.6299 299.1835 -93.9820 -63.0779 762906.1565 0.2242 0.4634 PRESSURE: 4360000 14.0815 29.6443 173.56 29.645 -43.732 -125.105 173.56 -125.105 95.4763 GPRESSURE: 4360000 -6.59049 2.34811 197.533 70.6054 32.1736 -111.309 166.199 -178.915 132.038 PRESSAVG: 4360000 -20.3662 5.59413 -11.7368 5.59409 45.2623 -9.38726 -11.7368 -9.38726 2.52113 GPRESSAVG: 4360000 -19.3453 5.6748 -11.1054 3.69352 43.9874 -13.2086 -9.82866 -6.74818 2.87792 TIMING: 4360000 CPU: 14095.7, 0.00312547/step Wall: 14095.7, 0.00312547/step, 0.555639 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4360000 3965.6362 20572.6710 14496.5179 250.5693 -203386.4558 2514.1064 0.0000 0.0000 51975.3553 -109611.5996 298.7031 -161586.9549 -109246.5334 298.9051 21.9419 52.5403 760926.1436 9.1391 9.1733 PRESSURE: 4360200 -425.066 -30.4037 -93.6569 -30.4019 -260.386 94.3763 -93.6574 94.3768 103.041 GPRESSURE: 4360200 -378.757 26.0484 -38.2318 -29.5153 -266.246 54.4279 -45.5944 16.0123 161.126 PRESSAVG: 4360200 22.4098 -20.9774 -7.94844 -20.9774 1.80811 13.7482 -7.94844 13.7482 23.8222 GPRESSAVG: 4360200 21.0985 -18.8933 -7.05138 -20.4494 3.01749 16.0581 -8.64495 13.5738 23.6427 TIMING: 4360200 CPU: 14096.3, 0.00312181/step Wall: 14096.3, 0.00312181/step, 0.554816 hours remaining, 235.871094 MB of memory in use. ENERGY: 4360200 4102.5248 20523.2221 14470.2753 251.8356 -203450.7270 2491.8329 0.0000 0.0000 51922.7959 -109688.2404 298.4010 -161611.0362 -109341.7378 298.9941 -194.1373 -161.2924 760724.2342 16.0134 15.9195 LDB: ============= START OF LOAD BALANCING ============== 14108.7 LDB: ============== END OF LOAD BALANCING =============== 14108.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14108.7 LDB: ============= START OF LOAD BALANCING ============== 14109 LDB: Largest compute 7068 load 0.032836 is 16.8% of average load 0.195578 LDB: Average compute 0.004426 is 2.3% of average load 0.195578 LDB: TIME 14109 LOAD: AVG 0.195578 MAX 0.212843 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.496 MB LDB: TIME 14109 LOAD: AVG 0.195578 MAX 0.212843 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: TIME 14109 LOAD: AVG 0.195578 MAX 0.212843 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: ============== END OF LOAD BALANCING =============== 14109 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14109 PRESSURE: 4360400 -213.089 121.659 -73.9125 121.66 317.095 195.451 -73.9128 195.451 -247.214 GPRESSURE: 4360400 -100.712 84.5772 -20.4796 70.4353 202.776 242.512 40.0271 110.807 -168.369 PRESSAVG: 4360400 23.9109 -11.4551 12.5392 -11.4551 -22.0496 30.5408 12.5392 30.5409 7.47821 GPRESSAVG: 4360400 25.5884 -14.6522 11.6685 -11.7171 -22.9902 29.433 11.7403 29.5945 6.15787 TIMING: 4360400 CPU: 14096.9, 0.00321916/step Wall: 14096.9, 0.00321916/step, 0.571937 hours remaining, 235.394531 MB of memory in use. ENERGY: 4360400 3946.7869 20559.9188 14479.2133 246.4380 -203226.8062 2288.1505 0.0000 0.0000 52084.4060 -109621.8926 299.3298 -161706.2985 -109256.5351 298.9482 -47.7361 -22.1017 760448.1562 3.1132 2.9187 PRESSURE: 4360600 115.248 -255.454 133.279 -255.454 -333.048 -172.223 133.278 -172.223 -288.486 GPRESSURE: 4360600 38.4782 -295.953 102.31 -142.723 -212.922 -161.651 146.028 -186.519 -247.858 PRESSAVG: 4360600 14.0028 15.8741 29.3967 15.8741 -32.8159 -13.0408 29.3967 -13.0409 13.8194 GPRESSAVG: 4360600 14.015 16.8621 31.8203 17.3503 -33.5192 -12.1333 30.0653 -14.7138 14.7924 TIMING: 4360600 CPU: 14097.6, 0.00314186/step Wall: 14097.6, 0.00314186/step, 0.558029 hours remaining, 235.847656 MB of memory in use. ENERGY: 4360600 4018.9855 20502.7081 14454.7898 249.2444 -203675.2379 2635.3693 0.0000 0.0000 52181.3321 -109632.8087 299.8868 -161814.1407 -109266.7128 299.1126 -168.7617 -140.7673 760285.4803 -1.6646 -1.5706 PRESSURE: 4360800 97.6196 -220.765 206.675 -220.765 -122.439 72.1363 206.675 72.1363 -80.1295 GPRESSURE: 4360800 116.188 -91.8752 105.511 -326.097 -67.7602 114.653 144.033 63.4852 -51.9352 PRESSAVG: 4360800 25.3432 -24.3886 16.9895 -24.3885 -40.7642 -10.2058 16.9895 -10.2058 -7.44456 GPRESSAVG: 4360800 24.7421 -24.2979 14.1102 -24.7635 -40.7709 -10.2646 17.4762 -8.38219 -6.76148 TIMING: 4360800 CPU: 14098.2, 0.00312345/step Wall: 14098.2, 0.00312345/step, 0.554587 hours remaining, 235.847656 MB of memory in use. ENERGY: 4360800 3939.5238 20389.2324 14462.7640 230.7209 -203361.4115 2626.7079 0.0000 0.0000 52196.3178 -109516.1445 299.9730 -161712.4623 -109156.4891 299.4259 -34.9829 -1.1692 762091.9052 -7.6219 -7.5968 PRESSURE: 4361000 -78.3805 23.1243 -251.323 23.1242 -164.133 -61.8199 -251.323 -61.8195 -75.1314 GPRESSURE: 4361000 0.723498 -51.1421 -262.785 -62.3677 -52.4805 -99.276 -159.82 -48.1172 -177.434 PRESSAVG: 4361000 57.4263 -17.7567 -5.75995 -17.7567 -56.7742 -15.9045 -5.75996 -15.9045 6.61111 GPRESSAVG: 4361000 57.0627 -17.0341 -6.24042 -18.9444 -55.7454 -14.819 -4.09826 -15.6973 5.69591 TIMING: 4361000 CPU: 14098.8, 0.00312342/step Wall: 14098.8, 0.00312343/step, 0.554408 hours remaining, 235.847656 MB of memory in use. ENERGY: 4361000 4000.0698 20553.2636 14471.3628 258.6568 -203148.5343 2599.5331 0.0000 0.0000 52089.0722 -109176.5760 299.3566 -161265.6482 -108824.8363 300.0142 -105.8815 -76.3969 762594.3525 2.4211 2.3377 PRESSURE: 4361200 286.482 -66.7543 115.865 -66.7539 -25.5294 112.111 115.865 112.111 -63.6091 GPRESSURE: 4361200 238.261 -25.3869 96.0256 -16.9157 64.4012 58.7976 49.5617 108.997 -37.3251 PRESSAVG: 4361200 29.2232 -17.6532 4.82676 -17.6532 24.2655 -5.07355 4.82675 -5.0735 -12.2032 GPRESSAVG: 4361200 29.5188 -20.0242 6.13867 -16.0903 23.219 -6.65934 1.32253 -4.03328 -11.8685 TIMING: 4361200 CPU: 14099.4, 0.00312609/step Wall: 14099.4, 0.00312609/step, 0.554708 hours remaining, 235.847656 MB of memory in use. ENERGY: 4361200 4012.5071 20515.4866 14426.1343 260.7291 -203171.0707 2489.6977 0.0000 0.0000 51922.6939 -109543.8219 298.4004 -161466.5158 -109178.3532 299.7967 65.7813 88.4457 761232.4641 13.7618 13.6231 PRESSURE: 4361400 -44.0652 -40.3529 220.174 -40.3539 215.838 19.0686 220.174 19.0677 -188.233 GPRESSURE: 4361400 33.127 -139.755 198.406 31.7228 267.153 -70.9836 188.374 120.6 -234.478 PRESSAVG: 4361400 11.3549 -12.5043 30.7036 -12.5043 -53.5219 -7.72879 30.7036 -7.72878 5.09574 GPRESSAVG: 4361400 11.6058 -10.5941 29.8167 -14.0255 -53.7827 -5.99513 31.9906 -8.38791 5.28204 TIMING: 4361400 CPU: 14100.1, 0.0031387/step Wall: 14100.1, 0.0031387/step, 0.55677 hours remaining, 235.988281 MB of memory in use. ENERGY: 4361400 3965.3920 20372.2440 14468.6857 249.9623 -203263.2632 2416.1257 0.0000 0.0000 52176.8349 -109614.0187 299.8610 -161790.8535 -109247.5539 299.1405 -5.4869 21.9339 760183.6142 -12.3571 -12.2983 PRESSURE: 4361600 57.3169 116.034 -226.165 116.034 -285.695 62.3227 -226.165 62.3225 -78.254 GPRESSURE: 4361600 162.266 134.006 -168.989 -24.4331 -304.786 26.7838 -151.286 18.4607 -75.6098 PRESSAVG: 4361600 45.8851 -13.7679 -0.923897 -13.7679 -51.8654 27.4396 -0.923896 27.4396 -13.6578 GPRESSAVG: 4361600 44.8707 -16.8756 1.7835 -14.0261 -50.3311 27.1345 -0.632092 27.2643 -14.1556 TIMING: 4361600 CPU: 14100.7, 0.00318883/step Wall: 14100.7, 0.00318883/step, 0.565485 hours remaining, 235.988281 MB of memory in use. ENERGY: 4361600 3990.7342 20583.3884 14428.0920 240.1503 -203067.2848 2111.8794 0.0000 0.0000 51943.1788 -109769.8617 298.5182 -161713.0405 -109417.5541 298.7785 -102.2109 -72.7101 761711.1762 -6.5460 -6.5386 PRESSURE: 4361800 -59.4662 -37.471 -166.537 -37.4718 3.15679 -195.417 -166.536 -195.418 33.1444 GPRESSURE: 4361800 -25.8591 -42.5056 -88.6968 -6.27343 47.507 -211.05 -229.761 -251.183 46.6119 PRESSAVG: 4361800 13.8572 -31.441 -7.6131 -31.4409 1.21123 -6.47707 -7.61308 -6.47699 2.7339 GPRESSAVG: 4361800 14.7666 -29.2164 -9.44245 -30.6106 1.41041 -7.67712 -6.91527 -7.52015 1.65788 TIMING: 4361800 CPU: 14101.3, 0.00318128/step Wall: 14101.3, 0.00318128/step, 0.56397 hours remaining, 236.058594 MB of memory in use. ENERGY: 4361800 4030.0031 20401.4536 14426.7847 268.5086 -203179.8586 2525.0649 0.0000 0.0000 51886.5821 -109641.4616 298.1929 -161528.0437 -109285.2606 298.7219 -7.7217 22.7533 762887.8118 5.9341 5.9450 PRESSURE: 4362000 114.943 71.0048 -126.527 71.0058 167.178 60.4026 -126.526 60.4021 -13.6874 GPRESSURE: 4362000 171.05 25.3773 -102.334 82.1895 213.17 31.3123 -102.062 146.841 -23.2915 PRESSAVG: 4362000 45.1463 22.236 21.4162 22.2361 -57.9793 -5.3363 21.4162 -5.33629 9.91173 GPRESSAVG: 4362000 45.4275 21.0318 21.3635 23.0368 -59.2977 -4.87944 19.2025 -4.6809 10.6666 TIMING: 4362000 CPU: 14102, 0.00313277/step Wall: 14102, 0.00313277/step, 0.555196 hours remaining, 236.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4362000 3926.3796 20611.8326 14396.1113 242.3322 -203521.4507 2428.7031 0.0000 0.0000 52146.2569 -109769.8350 299.6853 -161916.0919 -109407.8147 299.1237 89.4775 120.3094 761604.9969 -0.9737 -1.0678 PRESSURE: 4362200 -266.628 -11.0507 -91.4297 -11.0502 -131.044 -184.206 -91.4282 -184.207 -364.424 GPRESSURE: 4362200 -266.23 -52.2892 -125.494 51.7055 -99.4973 -235.44 57.1246 -21.6512 -338.986 PRESSAVG: 4362200 -13.6351 -16.0822 -6.38904 -16.0822 4.01773 1.97913 -6.38906 1.97916 1.97094 GPRESSAVG: 4362200 -14.8352 -13.7756 -6.56133 -16.7482 4.88785 2.85325 -3.92232 4.23686 2.40497 TIMING: 4362200 CPU: 14102.6, 0.00315163/step Wall: 14102.6, 0.00315163/step, 0.558364 hours remaining, 236.058594 MB of memory in use. ENERGY: 4362200 3988.3617 20471.9745 14441.9921 255.3227 -203575.3821 2729.6839 0.0000 0.0000 51839.4012 -109848.6460 297.9218 -161688.0472 -109495.3731 298.9409 -254.0322 -234.9046 760581.5268 -2.5488 -2.5141 PRESSURE: 4362400 1.08196 40.4496 -123.958 40.4505 230.613 213.247 -123.957 213.247 277.558 GPRESSURE: 4362400 83.5725 120.455 -126.231 -66.2411 230.83 251.172 -128.499 169.348 298.631 PRESSAVG: 4362400 28.3197 -8.10693 -33.9204 -8.10693 -13.9696 25.6052 -33.9204 25.6053 -18.8129 GPRESSAVG: 4362400 29.0557 -9.63389 -32.16 -8.51671 -14.8852 26.2441 -34.5801 23.1334 -18.2473 TIMING: 4362400 CPU: 14103.2, 0.00316175/step Wall: 14103.2, 0.00316175/step, 0.55998 hours remaining, 236.058594 MB of memory in use. ENERGY: 4362400 3980.5480 20499.6179 14494.5212 240.4479 -203325.6983 2616.3137 0.0000 0.0000 51991.6970 -109502.5527 298.7970 -161494.2496 -109146.4342 299.4522 169.7509 204.3448 760310.9179 -1.4876 -1.3589 PRESSURE: 4362600 -73.0447 63.9037 -28.3854 63.9028 2.00598 149.623 -28.3862 149.623 195.769 GPRESSURE: 4362600 -22.839 69.2337 -21.9075 57.0455 86.7489 134.843 27.3425 119.583 147.943 PRESSAVG: 4362600 72.5792 -17.7742 35.2782 -17.7742 -59.5867 -2.32671 35.2782 -2.32675 2.34021 GPRESSAVG: 4362600 71.0448 -17.7364 33.9231 -19.392 -59.7258 -3.29624 33.4107 -4.12588 3.57629 TIMING: 4362600 CPU: 14103.9, 0.00316803/step Wall: 14103.9, 0.00316803/step, 0.560918 hours remaining, 236.058594 MB of memory in use. ENERGY: 4362600 4020.5256 20441.2892 14440.7935 249.9245 -203434.1616 2536.8561 0.0000 0.0000 52169.3964 -109575.3764 299.8182 -161744.7728 -109207.9932 299.2214 41.5768 70.6178 760322.9397 5.1109 4.9651 PRESSURE: 4362800 -439.064 -81.7321 6.78444 -81.7317 -644.751 -293.702 6.78528 -293.702 -101.733 GPRESSURE: 4362800 -334.89 -39.69 -21.5025 5.68993 -602.247 -269.561 -57.5337 -159.285 -133.248 PRESSAVG: 4362800 35.9238 -8.29376 -5.90073 -8.2938 -36.9283 -16.9515 -5.90078 -16.9515 7.27197 GPRESSAVG: 4362800 36.4973 -8.54113 -5.83518 -8.18876 -35.3833 -17.8519 -5.41637 -13.9398 5.34142 TIMING: 4362800 CPU: 14104.5, 0.00317224/step Wall: 14104.5, 0.00317224/step, 0.561486 hours remaining, 236.058594 MB of memory in use. ENERGY: 4362800 4087.8495 20544.0846 14412.2056 261.1254 -202936.8737 2180.3356 0.0000 0.0000 52058.3133 -109392.9597 299.1798 -161451.2730 -109035.6758 299.3601 -395.1829 -356.7951 762342.7655 2.0892 2.1518 PRESSURE: 4363000 -127.515 13.2012 131.795 13.2016 -350.869 65.2778 131.795 65.2794 -225.882 GPRESSURE: 4363000 -107.208 67.2578 125.111 99.9783 -265.757 160.903 82.9827 135.846 -266.052 PRESSAVG: 4363000 62.9442 8.19688 2.96016 8.19684 -50.9432 40.5173 2.96019 40.5174 0.803448 GPRESSAVG: 4363000 64.0752 11.3404 3.22671 9.10707 -52.7481 40.8819 2.65602 41.3502 1.04366 TIMING: 4363000 CPU: 14105.1, 0.00318673/step Wall: 14105.1, 0.00318673/step, 0.563874 hours remaining, 236.058594 MB of memory in use. ENERGY: 4363000 3951.9948 20364.5092 14479.1139 266.7626 -202784.9962 2224.6081 0.0000 0.0000 52122.8743 -109375.1333 299.5509 -161498.0076 -109001.5206 300.1086 -234.7554 -213.0055 761154.7373 4.2682 4.1236 PRESSURE: 4363200 117.426 -47.3508 6.27175 -47.3515 114.11 316.446 6.27192 316.446 -21.029 GPRESSURE: 4363200 195.243 -56.2181 -2.98803 -26.4474 78.7485 326.321 -94.768 162.128 17.2317 PRESSAVG: 4363200 -5.22155 -6.38256 -14.3055 -6.38251 18.9552 -0.303141 -14.3055 -0.30312 -5.82895 GPRESSAVG: 4363200 -4.78523 -7.25883 -13.8299 -7.18488 19.0887 0.411031 -14.6441 -2.18489 -6.26209 TIMING: 4363200 CPU: 14105.8, 0.00317582/step Wall: 14105.8, 0.00317582/step, 0.561767 hours remaining, 236.058594 MB of memory in use. ENERGY: 4363200 3934.2515 20526.9278 14356.6260 243.3423 -203447.0972 2668.3072 0.0000 0.0000 52068.3489 -109649.2936 299.2375 -161717.6425 -109288.4050 299.4785 70.1691 97.0744 760165.6929 2.6349 2.6805 PRESSURE: 4363400 -152.16 27.3707 51.779 27.3706 -26.234 19.5179 51.7787 19.518 -176.847 GPRESSURE: 4363400 -142.79 92.4646 28.6032 12.9273 59.298 39.4265 97.9474 -57.8491 -173.835 PRESSAVG: 4363400 -58.9452 51.5265 27.3603 51.5265 41.2027 9.45881 27.3602 9.45883 -18.3354 GPRESSAVG: 4363400 -58.8385 51.1199 26.2821 52.0515 41.2166 8.4348 29.6497 7.95223 -18.8066 TIMING: 4363400 CPU: 14106.4, 0.00316633/step Wall: 14106.4, 0.00316633/step, 0.559913 hours remaining, 236.058594 MB of memory in use. ENERGY: 4363400 3981.0322 20442.1545 14422.2801 251.9816 -202800.3378 2277.2799 0.0000 0.0000 51866.2245 -109559.3850 298.0759 -161425.6095 -109199.3897 299.1489 -118.4139 -85.7760 762683.3929 -12.0259 -12.1428 PRESSURE: 4363600 -114.185 169.122 -52.0327 169.122 87.4277 215.941 -52.033 215.941 22.2924 GPRESSURE: 4363600 2.79367 179.167 -0.10059 143.215 76.1076 291.462 -32.2402 76.7314 20.1721 PRESSAVG: 4363600 21.7841 72.4243 -10.9244 72.4243 -35.8668 21.3494 -10.9244 21.3494 -9.31432 GPRESSAVG: 4363600 21.0862 71.6637 -9.22643 72.956 -36.1751 22.0539 -12.925 20.6471 -8.5077 TIMING: 4363600 CPU: 14107, 0.00314121/step Wall: 14107, 0.00314121/step, 0.555295 hours remaining, 236.058594 MB of memory in use. ENERGY: 4363600 4014.7689 20396.4525 14496.9531 245.8624 -203398.8306 2561.9403 0.0000 0.0000 52087.3340 -109595.5193 299.3466 -161682.8534 -109240.8907 299.2338 -1.4882 33.0244 760033.0629 -7.7990 -7.8655 PRESSURE: 4363800 380.527 142.948 133.537 142.948 -385.963 30.0552 133.536 30.054 -273.752 GPRESSURE: 4363800 267.086 22.4875 110.516 99.6649 -219.309 68.5977 40.5983 -43.0147 -233.938 PRESSAVG: 4363800 36.5863 40.4354 6.70464 40.4354 16.1468 -7.25977 6.70464 -7.25969 24.2603 GPRESSAVG: 4363800 35.7045 40.7085 5.37835 39.7167 17.8214 -6.22942 7.4077 -5.46889 23.3184 TIMING: 4363800 CPU: 14107.7, 0.00318453/step Wall: 14107.7, 0.00318453/step, 0.562777 hours remaining, 236.058594 MB of memory in use. ENERGY: 4363800 4056.1030 20461.7993 14491.0008 243.5417 -203445.0389 2437.3173 0.0000 0.0000 52052.0524 -109703.2243 299.1439 -161755.2767 -109353.2026 299.5752 -93.0626 -62.0536 760183.2454 25.6645 25.6147 PRESSURE: 4364000 -46.0909 38.0465 -43.0442 38.0478 327.294 -98.3692 -43.0442 -98.369 -194.962 GPRESSURE: 4364000 99.8684 119.396 17.6051 -8.47045 247.141 -169.129 -124.284 -117.389 -194.87 PRESSAVG: 4364000 57.3466 16.561 -20.3029 16.561 -34.7525 -44.176 -20.3029 -44.176 -4.47307 GPRESSAVG: 4364000 56.4464 18.3549 -20.7168 16.1369 -33.9706 -46.5061 -18.2891 -44.0554 -4.49101 TIMING: 4364000 CPU: 14108.3, 0.00316396/step Wall: 14108.3, 0.00316396/step, 0.558967 hours remaining, 236.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4364000 3957.2686 20365.9602 14557.9009 249.8987 -203469.1038 2350.1979 0.0000 0.0000 52197.8608 -109790.0168 299.9818 -161987.8776 -109425.9639 299.1628 28.7470 50.7131 759921.3235 6.0403 5.9950 PRESSURE: 4364200 54.3179 -22.4559 -56.6771 -22.4554 -307.709 99.045 -56.6781 99.0441 -156.821 GPRESSURE: 4364200 65.2744 -44.1942 -28.4729 -5.08857 -239.161 8.73736 -24.3457 47.9395 -157.122 PRESSAVG: 4364200 16.1298 41.7634 -0.644175 41.7635 10.6828 -20.6214 -0.64416 -20.6214 -8.04768 GPRESSAVG: 4364200 17.5795 39.3007 1.21188 42.0849 10.4839 -20.8077 -3.20843 -18.6235 -9.22115 TIMING: 4364200 CPU: 14108.9, 0.00317723/step Wall: 14108.9, 0.00317723/step, 0.561134 hours remaining, 236.058594 MB of memory in use. ENERGY: 4364200 4010.7213 20481.3165 14507.8925 235.1532 -203537.8506 2370.1992 0.0000 0.0000 52243.4380 -109689.1300 300.2438 -161932.5679 -109328.6514 299.2098 -136.7375 -110.3361 760038.2978 6.2550 6.2808 LDB: ============= START OF LOAD BALANCING ============== 14121.4 LDB: ============== END OF LOAD BALANCING =============== 14121.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14121.4 LDB: ============= START OF LOAD BALANCING ============== 14121.7 LDB: Largest compute 7064 load 0.032123 is 16.4% of average load 0.195599 LDB: Average compute 0.004419 is 2.3% of average load 0.195599 LDB: TIME 14121.7 LOAD: AVG 0.195599 MAX 0.213653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.535 MB LDB: TIME 14121.7 LOAD: AVG 0.195599 MAX 0.213653 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 14121.7 LOAD: AVG 0.195599 MAX 0.213653 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 14121.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14121.7 PRESSURE: 4364400 88.2165 18.0232 65.7608 18.0227 104.603 -32.5094 65.759 -32.5089 -107.942 GPRESSURE: 4364400 113.158 3.31473 67.5632 63.2451 123.111 -56.7982 -90.6406 -56.1223 -66.6788 PRESSAVG: 4364400 -1.24497 -14.7954 -5.71892 -14.7953 -18.0812 9.38014 -5.71895 9.38011 9.31491 GPRESSAVG: 4364400 -1.5531 -14.3062 -4.96808 -14.5421 -17.7881 9.73938 -6.72343 7.43435 9.36781 TIMING: 4364400 CPU: 14109.6, 0.00323987/step Wall: 14109.6, 0.00323987/step, 0.572018 hours remaining, 235.398438 MB of memory in use. ENERGY: 4364400 4005.5376 20559.8283 14511.4518 240.8046 -203756.4813 2739.7697 0.0000 0.0000 51947.7768 -109751.3124 298.5446 -161699.0893 -109386.2346 299.3453 28.2925 56.5302 760256.4500 -3.3371 -3.3245 PRESSURE: 4364600 -280.174 190.51 129.589 190.51 -184.233 -424.101 129.59 -424.101 -174.832 GPRESSURE: 4364600 -192.522 165.221 121.001 100.375 -208.212 -283.968 75.4231 -401.625 -158.199 PRESSAVG: 4364600 34.6349 8.84029 25.1854 8.84028 -12.7726 -55.0947 25.1854 -55.0946 -19.0424 GPRESSAVG: 4364600 34.3307 9.18902 23.8159 8.86652 -13.4287 -52.3718 26.4779 -54.271 -17.947 TIMING: 4364600 CPU: 14110.2, 0.00315961/step Wall: 14110.2, 0.00315961/step, 0.557671 hours remaining, 235.597656 MB of memory in use. ENERGY: 4364600 4041.0235 20649.5359 14421.1564 256.7110 -203546.4789 2428.9007 0.0000 0.0000 51938.7281 -109810.4234 298.4926 -161749.1515 -109451.6591 299.1782 -213.0799 -186.3110 759985.1559 0.9399 0.9850 PRESSURE: 4364800 -83.6019 -314.627 -114.716 -314.627 167.455 -103.969 -114.717 -103.97 -82.9427 GPRESSURE: 4364800 -18.7067 -219.435 -111.575 -272.04 189.337 -40.1637 -162.051 -119.118 -88.4225 PRESSAVG: 4364800 2.8183 34.7304 -34.9089 34.7304 -27.0602 -33.4123 -34.9089 -33.4124 17.2528 GPRESSAVG: 4364800 3.2162 35.998 -35.1745 34.6745 -26.9215 -35.5982 -32.3153 -34.7596 17.1884 TIMING: 4364800 CPU: 14110.9, 0.00318065/step Wall: 14110.9, 0.00318065/step, 0.561207 hours remaining, 235.855469 MB of memory in use. ENERGY: 4364800 3990.2030 20463.1913 14518.7128 249.6842 -203435.2070 2350.1496 0.0000 0.0000 52136.1069 -109727.1593 299.6269 -161863.2661 -109368.3569 298.9984 0.3034 27.4025 759364.4467 -2.3297 -2.1723 PRESSURE: 4365000 245.224 -105.01 -219.118 -105.01 -11.3848 226.566 -219.118 226.566 -75.4982 GPRESSURE: 4365000 194.748 -10.8416 -144.724 -88.7269 134.85 209.44 -255.848 203.385 -63.6469 PRESSAVG: 4365000 21.8107 15.8211 -11.5744 15.821 -25.7678 -32.7586 -11.5744 -32.7587 15.6011 GPRESSAVG: 4365000 20.806 15.4964 -10.705 15.5211 -24.1964 -30.7359 -12.9025 -33.689 15.2306 TIMING: 4365000 CPU: 14111.5, 0.00317956/step Wall: 14111.5, 0.00317956/step, 0.56084 hours remaining, 235.855469 MB of memory in use. ENERGY: 4365000 4034.7745 20461.4209 14495.2796 265.5686 -203574.2519 2504.2216 0.0000 0.0000 52170.2922 -109642.6945 299.8234 -161812.9867 -109284.4672 299.5356 52.7804 88.6504 758488.3219 3.8813 3.9467 PRESSURE: 4365200 -92.7488 171.369 8.01469 171.37 -146.468 -193.027 8.01482 -193.028 -66.8104 GPRESSURE: 4365200 -17.8672 93.396 5.48999 248.013 -111.622 -172.42 87.8594 -71.2429 -84.8083 PRESSAVG: 4365200 46.659 16.1523 -10.3566 16.1523 -17.9741 0.0896532 -10.3566 0.089722 -15.9147 GPRESSAVG: 4365200 46.9237 13.8382 -10.576 18.0866 -19.2087 0.113195 -10.1622 2.05607 -15.1054 TIMING: 4365200 CPU: 14112.1, 0.00315449/step Wall: 14112.1, 0.00315449/step, 0.556242 hours remaining, 235.855469 MB of memory in use. ENERGY: 4365200 4006.4255 20550.2037 14440.3134 241.6077 -203870.6350 2603.8411 0.0000 0.0000 52181.4483 -109846.7953 299.8875 -162028.2437 -109489.5381 299.0370 -102.0091 -71.4325 759342.0364 4.2567 4.2032 PRESSURE: 4365400 -287.966 -98.508 56.9918 -98.5083 91.3465 81.4844 56.9917 81.4829 285.826 GPRESSURE: 4365400 -173.031 -131.012 79.3146 -67.9165 47.3109 40.8244 88.9287 60.3879 281.968 PRESSAVG: 4365400 -17.6349 14.1673 15.077 14.1673 -5.17372 26.1091 15.077 26.1091 3.17312 GPRESSAVG: 4365400 -17.2402 14.6592 15.7371 11.7277 -5.53966 24.9242 13.9925 25.0544 2.44716 TIMING: 4365400 CPU: 14112.7, 0.00312178/step Wall: 14112.7, 0.00312178/step, 0.550301 hours remaining, 235.855469 MB of memory in use. ENERGY: 4365400 3928.6280 20594.9505 14418.5717 244.5744 -203655.1309 2507.4883 0.0000 0.0000 52158.7995 -109802.1184 299.7573 -161960.9179 -109440.4229 298.9673 29.7355 52.0827 760552.1799 -6.5452 -6.7776 PRESSURE: 4365600 -327.76 58.6243 -222.213 58.6249 -477.827 240.773 -222.213 240.774 -95.9384 GPRESSURE: 4365600 -155.45 145.551 -131.537 119.791 -505.669 285.057 -181.499 111.186 -165.667 PRESSAVG: 4365600 -38.6806 -0.461195 -38.1489 -0.461175 31.5501 -53.1423 -38.1489 -53.1422 -18.1197 GPRESSAVG: 4365600 -38.6519 1.23635 -37.3014 0.742121 31.4591 -53.4175 -38.205 -52.7534 -18.3087 TIMING: 4365600 CPU: 14113.4, 0.00311781/step Wall: 14113.4, 0.00311781/step, 0.549428 hours remaining, 235.855469 MB of memory in use. ENERGY: 4365600 3995.8128 20646.5286 14447.9565 247.9609 -203432.5680 2127.5849 0.0000 0.0000 52209.8573 -109756.8671 300.0508 -161966.7244 -109395.2884 299.4172 -300.5082 -275.5956 760308.1258 -8.4168 -8.5005 PRESSURE: 4365800 30.7476 -132.589 -191.238 -132.59 -33.1874 -130.729 -191.238 -130.728 -121.534 GPRESSURE: 4365800 56.7505 -172.773 -194.944 -141.265 98.8861 -67.6089 -162.382 -147.824 -185.725 PRESSAVG: 4365800 -25.3087 5.54698 -22.6363 5.54695 9.75438 -54.7613 -22.6363 -54.7613 -4.91468 GPRESSAVG: 4365800 -25.8773 5.30433 -23.6516 5.86999 10.0998 -52.9712 -20.6523 -56.3733 -5.05095 TIMING: 4365800 CPU: 14114, 0.00313214/step Wall: 14114, 0.00313214/step, 0.551778 hours remaining, 235.855469 MB of memory in use. ENERGY: 4365800 4075.3242 20443.5188 14496.5661 240.2420 -203812.3263 2578.4894 0.0000 0.0000 52205.7900 -109772.3959 300.0274 -161978.1859 -109411.3371 299.3764 -41.3246 -10.0294 758511.3669 -6.8230 -6.9428 PRESSURE: 4366000 -331.979 -242.76 297.654 -242.759 129.616 91.3131 297.654 91.3128 -118.647 GPRESSURE: 4366000 -168.648 -178.505 276.356 -148.814 1.22597 2.09783 230.067 131.126 -51.7821 PRESSAVG: 4366000 -6.51698 -35.3461 -102.134 -35.3461 -1.64873 2.58869 -102.134 2.58875 -6.81881 GPRESSAVG: 4366000 -6.20243 -36.2418 -102.873 -33.1752 -2.43627 0.268003 -100.466 5.81141 -6.19118 TIMING: 4366000 CPU: 14114.6, 0.00313032/step Wall: 14114.6, 0.00313032/step, 0.551285 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4366000 4015.9334 20662.3382 14454.4167 248.6821 -204052.0399 2767.6244 0.0000 0.0000 51763.7272 -110139.3178 297.4869 -161903.0450 -109783.3408 298.8173 -107.0031 -73.0682 758897.2576 -4.9948 -4.9433 PRESSURE: 4366200 -204.351 -189.106 -75.8988 -189.106 -388.98 -31.755 -75.8999 -31.7549 40.6156 GPRESSURE: 4366200 -280.031 -117.387 -79.1433 -315.58 -260.063 28.2614 -164.863 -147.835 75.5322 PRESSAVG: 4366200 -17.6271 -17.7154 -6.55683 -17.7154 3.09542 2.57803 -6.55684 2.57806 -3.23152 GPRESSAVG: 4366200 -17.3497 -16.1832 -5.64093 -19.6626 2.59243 4.3275 -9.30749 -0.305779 -3.40914 TIMING: 4366200 CPU: 14115.2, 0.00313383/step Wall: 14115.2, 0.00313383/step, 0.551728 hours remaining, 235.855469 MB of memory in use. ENERGY: 4366200 4100.8517 20476.3571 14454.1191 239.3275 -203459.0147 2187.1112 0.0000 0.0000 51875.4410 -110125.8071 298.1289 -162001.2481 -109755.5548 298.4742 -184.2385 -154.8537 761119.0025 -5.9211 -6.0555 PRESSURE: 4366400 -131.584 61.1525 -117.184 61.1521 -11.0732 369.812 -117.184 369.811 -3.67732 GPRESSURE: 4366400 -139.627 5.89943 -103.615 -10.814 10.8897 388.447 -8.89375 223.58 51.6939 PRESSAVG: 4366400 86.5261 -24.92 -59.5432 -24.92 -116.486 -3.70797 -59.5432 -3.70801 -1.80064 GPRESSAVG: 4366400 83.9622 -25.0146 -60.3648 -24.5826 -114.783 -3.95626 -57.7578 -3.65096 -1.45353 TIMING: 4366400 CPU: 14115.9, 0.00315054/step Wall: 14115.9, 0.00315054/step, 0.554495 hours remaining, 235.855469 MB of memory in use. ENERGY: 4366400 3969.4966 20568.1253 14539.6464 235.0095 -203465.4939 2357.4298 0.0000 0.0000 51711.0321 -110084.7542 297.1840 -161795.7863 -109712.1453 298.6289 -48.7783 -25.6811 760329.4927 -10.5867 -10.7580 PRESSURE: 4366600 -63.0112 -56.7374 -188.439 -56.7376 -106.643 57.7397 -188.439 57.7399 -88.7354 GPRESSURE: 4366600 48.1277 -180.378 -141.97 -166.074 -93.9475 55.9875 -177.806 152.319 -137.358 PRESSAVG: 4366600 33.3246 -6.16171 -92.1313 -6.16167 -23.3885 -31.1498 -92.1312 -31.1497 -9.82126 GPRESSAVG: 4366600 34.366 -9.70673 -91.1149 -7.71702 -24.1634 -30.7081 -92.5418 -29.4958 -10.0202 TIMING: 4366600 CPU: 14116.5, 0.00313822/step Wall: 14116.5, 0.00313822/step, 0.552152 hours remaining, 235.855469 MB of memory in use. ENERGY: 4366600 4057.7369 20551.1108 14439.8975 240.8045 -203978.6482 2685.5415 0.0000 0.0000 52045.3721 -109958.1849 299.1055 -162003.5570 -109598.4671 298.6371 -86.1299 -61.0591 760148.4157 0.0383 0.0608 PRESSURE: 4366800 -72.7687 -110.212 -31.7631 -110.212 -298.711 -123.47 -31.7627 -123.47 30.7859 GPRESSURE: 4366800 4.43582 -87.6079 -72.5032 -94.116 -193.015 -220.076 -34.1006 -153.668 -74.0457 PRESSAVG: 4366800 5.85177 -34.695 1.11288 -34.695 -27.0898 -60.3979 1.11283 -60.3979 -5.14072 GPRESSAVG: 4366800 8.10669 -32.1881 0.869787 -34.8925 -27.2953 -59.0424 1.45547 -62.189 -6.65013 TIMING: 4366800 CPU: 14117.1, 0.00313066/step Wall: 14117.1, 0.00313066/step, 0.550649 hours remaining, 235.855469 MB of memory in use. ENERGY: 4366800 3996.9036 20446.2705 14440.4467 246.5581 -203832.0069 2578.2016 0.0000 0.0000 52088.7093 -110034.9172 299.3545 -162123.6265 -109668.6260 298.8750 -113.5645 -87.5417 760840.3866 -8.7929 -8.6129 PRESSURE: 4367000 -154.582 -100.88 -8.86689 -100.881 -494.792 -214.688 -8.86719 -214.688 -339.08 GPRESSURE: 4367000 -92.8989 -79.3151 -11.1729 -51.1604 -504.562 -313.063 69.1162 -72.3699 -292.992 PRESSAVG: 4367000 25.3572 -58.8778 -39.0679 -58.8778 -47.1329 -4.23332 -39.0679 -4.23332 -12.7829 GPRESSAVG: 4367000 23.0485 -59.8036 -38.2426 -58.2661 -46.5646 -7.11917 -39.6117 -2.07819 -11.1906 TIMING: 4367000 CPU: 14117.8, 0.00315862/step Wall: 14117.8, 0.00315862/step, 0.55539 hours remaining, 235.855469 MB of memory in use. ENERGY: 4367000 3930.2139 20512.3196 14424.3209 240.1887 -203586.7387 2624.4329 0.0000 0.0000 51782.4252 -110072.8374 297.5943 -161855.2626 -109709.4206 298.7066 -329.4850 -296.8175 761877.3593 -11.5195 -11.5689 PRESSURE: 4367200 -109.312 -129.331 4.88282 -129.331 -671.418 42.8067 4.88302 42.8058 -409.985 GPRESSURE: 4367200 -84.5518 -186.035 33.5685 -47.3209 -614.131 32.4588 98.1556 37.1267 -413.273 PRESSAVG: 4367200 39.863 -28.7126 -52.5504 -28.7126 -57.4739 -16.4268 -52.5505 -16.4268 7.55565 GPRESSAVG: 4367200 40.2535 -28.6139 -54.2795 -26.7607 -57.8815 -17.2696 -50.8453 -15.8692 6.63667 TIMING: 4367200 CPU: 14118.4, 0.00315305/step Wall: 14118.4, 0.00315305/step, 0.554236 hours remaining, 235.855469 MB of memory in use. ENERGY: 4367200 4054.3815 20411.1356 14442.0284 248.6601 -203358.3954 2362.7056 0.0000 0.0000 51815.7190 -110023.7652 297.7856 -161839.4841 -109657.3391 298.3381 -396.9051 -370.6519 759631.7248 -3.3518 -3.6638 PRESSURE: 4367400 46.5877 188.432 -180.899 188.431 -163.081 47.4626 -180.898 47.4619 57.7683 GPRESSURE: 4367400 136.467 202.552 -143.398 110.411 -52.304 123.24 -218.802 147.698 -71.4198 PRESSAVG: 4367400 24.5819 14.06 -1.97916 14.06 -27.8161 40.8714 -1.97921 40.8715 17.248 GPRESSAVG: 4367400 24.6685 14.5201 -1.2998 13.1107 -28.8178 43.7233 -3.69382 40.4675 17.7066 TIMING: 4367400 CPU: 14119, 0.00316335/step Wall: 14119, 0.00316335/step, 0.555871 hours remaining, 235.855469 MB of memory in use. ENERGY: 4367400 3968.3839 20560.9690 14474.4693 248.0481 -203404.2293 2193.3605 0.0000 0.0000 51862.5123 -110096.4862 298.0546 -161958.9984 -109746.4457 298.1490 -19.5750 4.2478 759203.8176 4.6713 4.5191 PRESSURE: 4367600 319.565 -86.5977 17.5232 -86.5967 68.2747 43.1956 17.523 43.1953 -214.186 GPRESSURE: 4367600 334.205 -102.369 -2.8062 -82.0541 159.15 -24.5348 25.2296 -69.553 -222.467 PRESSAVG: 4367600 -17.9555 26.7908 -36.1809 26.7908 -25.1726 17.3103 -36.1809 17.3103 5.17565 GPRESSAVG: 4367600 -18.0649 24.6887 -35.6751 25.9765 -23.2488 14.7055 -34.4482 15.793 3.741 TIMING: 4367600 CPU: 14119.7, 0.00316766/step Wall: 14119.7, 0.00316766/step, 0.556452 hours remaining, 235.855469 MB of memory in use. ENERGY: 4367600 3963.9895 20382.3324 14440.4063 236.0908 -203989.0978 2736.2637 0.0000 0.0000 52214.9936 -110015.0214 300.0803 -162230.0150 -109642.9156 298.2106 57.8847 90.2957 757607.7842 -12.6508 -12.5242 PRESSURE: 4367800 -33.4209 312.762 -81.3591 312.762 -220.046 42.6311 -81.3592 42.6309 57.0938 GPRESSURE: 4367800 -88.4296 370.617 -113.617 225.646 -67.8608 34.9969 -153.797 158.675 40.3847 PRESSAVG: 4367800 39.0515 3.4277 -12.0134 3.42768 -29.0769 -26.4602 -12.0134 -26.4602 12.6672 GPRESSAVG: 4367800 39.1726 2.92708 -12.7224 2.53312 -29.7587 -24.2932 -12.6751 -25.4711 13.2138 TIMING: 4367800 CPU: 14120.3, 0.00316063/step Wall: 14120.3, 0.00316063/step, 0.555042 hours remaining, 235.855469 MB of memory in use. ENERGY: 4367800 4018.6217 20427.0791 14427.6582 266.3161 -203571.3220 2320.1255 0.0000 0.0000 52121.4552 -109990.0662 299.5427 -162111.5214 -109622.3501 298.3947 -65.4578 -38.6353 758877.4471 7.5473 7.5426 PRESSURE: 4368000 -30.8616 2.62684 24.4245 2.62682 -368.035 50.2035 24.424 50.2027 -332.305 GPRESSURE: 4368000 53.1367 -45.8368 -56.8637 -88.9903 -415.213 75.2482 50.749 138.785 -282.27 PRESSAVG: 4368000 32.2187 -8.87728 -51.6323 -8.87732 -49.5757 2.58246 -51.6323 2.58239 3.88598 GPRESSAVG: 4368000 31.9308 -6.69091 -50.1449 -7.681 -50.2371 1.89964 -49.7082 4.17153 4.75826 TIMING: 4368000 CPU: 14120.9, 0.00318078/step Wall: 14120.9, 0.00318078/step, 0.558403 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4368000 4001.8782 20574.2133 14440.2694 250.6705 -203393.7654 2374.9939 0.0000 0.0000 51748.1007 -110003.6394 297.3970 -161751.7401 -109648.3248 298.1900 -243.7337 -214.7822 760665.7570 -4.4903 -4.5160 PRESSURE: 4368200 -314.838 232.581 13.3422 232.58 -368.402 -182.688 13.3413 -182.688 203.799 GPRESSURE: 4368200 -184.302 265.115 -33.66 209.165 -298.169 -150.296 -162.712 -121.425 89.9052 PRESSAVG: 4368200 66.5935 -57.4544 -19.3173 -57.4544 -73.1638 -12.6561 -19.3172 -12.6561 3.28796 GPRESSAVG: 4368200 66.9515 -58.1521 -19.7249 -57.0248 -73.0121 -10.866 -22.0834 -14.2581 2.04582 TIMING: 4368200 CPU: 14121.6, 0.00316187/step Wall: 14121.6, 0.00316187/step, 0.554909 hours remaining, 235.855469 MB of memory in use. ENERGY: 4368200 3984.6613 20477.8075 14492.1067 261.0862 -203506.6978 2437.6157 0.0000 0.0000 51732.4085 -110121.0119 297.3069 -161853.4204 -109760.9139 298.1627 -159.8140 -130.8553 759002.8006 -1.0941 -1.3383 LDB: ============= START OF LOAD BALANCING ============== 14134 LDB: ============== END OF LOAD BALANCING =============== 14134 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14134 LDB: ============= START OF LOAD BALANCING ============== 14134.3 LDB: Largest compute 7064 load 0.032953 is 16.9% of average load 0.195506 LDB: Average compute 0.004393 is 2.2% of average load 0.195506 LDB: TIME 14134.3 LOAD: AVG 0.195506 MAX 0.217496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 14134.3 LOAD: AVG 0.195506 MAX 0.217496 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 14134.3 LOAD: AVG 0.195506 MAX 0.217496 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 14134.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14134.3 PRESSURE: 4368400 -14.7235 -151.466 -141.813 -151.466 150.688 -117.372 -141.814 -117.373 -394.478 GPRESSURE: 4368400 91.7547 -239.086 -148.03 -141.733 131.051 -99.2962 18.3253 -14.0508 -400.246 PRESSAVG: 4368400 20.5359 -54.1194 -86.5889 -54.1194 -11.0594 44.5444 -86.5889 44.5443 -11.6711 GPRESSAVG: 4368400 21.8288 -54.0014 -86.6814 -55.0676 -12.0361 40.4442 -85.6316 46.5421 -12.4174 TIMING: 4368400 CPU: 14122.2, 0.00322872/step Wall: 14122.2, 0.00322872/step, 0.566461 hours remaining, 234.554688 MB of memory in use. ENERGY: 4368400 4013.6189 20426.6044 14450.4655 242.7982 -203584.9701 2548.3685 0.0000 0.0000 52039.0546 -109864.0599 299.0692 -161903.1145 -109496.7956 298.5842 -86.1710 -59.1470 758909.9042 -0.7315 -0.8749 PRESSURE: 4368600 22.9804 158.713 -0.65711 158.714 161.587 84.6767 -0.657459 84.6764 455.466 GPRESSURE: 4368600 32.4926 199.503 68.2708 84.6457 213.84 89.6789 68.0543 32.1927 500.375 PRESSAVG: 4368600 -3.31392 -42.4565 -21.9239 -42.4565 50.9145 -1.38776 -21.9239 -1.38781 10.4445 GPRESSAVG: 4368600 -5.5325 -41.6135 -20.8154 -42.3219 51.9984 1.22893 -22.2801 -4.10756 11.6583 TIMING: 4368600 CPU: 14122.8, 0.00315805/step Wall: 14122.8, 0.00315805/step, 0.553886 hours remaining, 234.554688 MB of memory in use. ENERGY: 4368600 3973.0234 20419.1565 14500.2215 247.4789 -203582.9313 2559.5252 0.0000 0.0000 51897.9014 -109985.6244 298.2580 -161883.5259 -109616.2949 298.6491 213.3442 248.9025 759503.4634 19.3484 19.3747 PRESSURE: 4368800 -45.9694 113.133 229.69 113.132 117.5 -4.64844 229.69 -4.64906 -387.578 GPRESSURE: 4368800 46.5379 109.109 236.057 78.0693 68.4854 69.256 234.77 1.93883 -341.258 PRESSAVG: 4368800 -1.43958 -31.3878 6.34386 -31.3878 -27.2136 1.91064 6.34376 1.91072 -1.07795 GPRESSAVG: 4368800 -0.963192 -33.3009 4.85932 -30.6229 -27.46 1.06306 8.12179 2.90399 -1.37393 TIMING: 4368800 CPU: 14123.5, 0.00315499/step Wall: 14123.5, 0.00315499/step, 0.553176 hours remaining, 234.554688 MB of memory in use. ENERGY: 4368800 3973.7626 20340.6646 14500.8557 245.1887 -203383.7754 2339.0931 0.0000 0.0000 51843.4493 -110140.7614 297.9450 -161984.2107 -109778.1326 298.2308 -105.3492 -75.4114 759832.7681 -9.9104 -9.9324 PRESSURE: 4369000 52.9805 -100.151 -88.3583 -100.151 -175.796 -177.627 -88.3584 -177.627 -6.41911 GPRESSURE: 4369000 62.6104 -126.99 -151.62 -113.298 -101.523 -220.273 -52.7688 -35.7792 -23.1778 PRESSAVG: 4369000 -3.78551 -43.167 1.35471 -43.1669 34.7461 -53.7731 1.35475 -53.7731 9.38897 GPRESSAVG: 4369000 -1.89074 -41.4259 3.33405 -44.4253 33.1055 -53.6131 -0.608798 -51.9579 9.27273 TIMING: 4369000 CPU: 14124.1, 0.00318089/step Wall: 14124.1, 0.00318089/step, 0.557539 hours remaining, 234.554688 MB of memory in use. ENERGY: 4369000 3954.6985 20605.7214 14405.7791 237.5199 -203325.4538 2225.4273 0.0000 0.0000 51858.5422 -110037.7655 298.0318 -161896.3077 -109681.3783 297.7602 -43.0781 -20.6967 761584.4507 13.4498 13.4958 PRESSURE: 4369200 176.188 -253.046 -127.873 -253.046 -85.2868 -120.47 -127.874 -120.469 -359.164 GPRESSURE: 4369200 208.439 -158.263 -117.649 -272.965 -47.5831 -52.771 -163.793 -51.1091 -348.142 PRESSAVG: 4369200 -37.6803 -73.3454 -26.3349 -73.3454 5.42159 5.86631 -26.3349 5.86639 -0.804197 GPRESSAVG: 4369200 -38.8344 -74.0121 -27.8627 -71.0691 5.12647 3.77015 -24.3289 4.4753 0.629954 TIMING: 4369200 CPU: 14124.7, 0.00318598/step Wall: 14124.7, 0.00318598/step, 0.558255 hours remaining, 234.554688 MB of memory in use. ENERGY: 4369200 3966.2006 20440.3910 14469.4305 234.3716 -203709.6780 2502.4600 0.0000 0.0000 51969.7038 -110127.1205 298.6706 -162096.8243 -109769.7730 298.1824 -89.4211 -62.4290 759462.6103 -11.0210 -11.0260 PRESSURE: 4369400 92.6083 149.515 -164.344 149.515 -117.995 60.949 -164.344 60.9496 -153.137 GPRESSURE: 4369400 75.144 130.55 -209.465 70.7544 5.20317 68.3879 -120.489 37.5248 -176.39 PRESSAVG: 4369400 5.15947 -39.4275 -34.2363 -39.4274 6.35525 -25.4781 -34.2362 -25.4781 -16.0676 GPRESSAVG: 4369400 4.83254 -38.8546 -31.8053 -40.3743 7.06864 -24.7204 -35.7017 -26.2741 -16.6488 TIMING: 4369400 CPU: 14125.4, 0.0031612/step Wall: 14125.4, 0.0031612/step, 0.553736 hours remaining, 234.554688 MB of memory in use. ENERGY: 4369400 4017.2237 20393.3028 14499.1378 239.4846 -203437.2082 2478.1271 0.0000 0.0000 51975.4160 -109834.5164 298.7034 -161809.9324 -109481.1195 298.3100 -59.5080 -32.0142 759757.0779 -1.5176 -1.5825 PRESSURE: 4369600 -75.6789 70.8036 6.37856 70.8044 -410.634 72.2323 6.37772 72.2317 -272.136 GPRESSURE: 4369600 -86.6678 145.668 -18.6578 3.60827 -358.393 49.259 78.67 -114.266 -228.692 PRESSAVG: 4369600 89.6217 -56.7429 2.12294 -56.743 -54.0889 -38.5136 2.12288 -38.5136 26.453 GPRESSAVG: 4369600 90.8255 -56.9527 -0.833355 -57.2389 -54.1901 -37.9623 3.59561 -38.4568 25.446 TIMING: 4369600 CPU: 14126, 0.00316707/step Wall: 14126, 0.00316707/step, 0.554589 hours remaining, 234.554688 MB of memory in use. ENERGY: 4369600 4070.6726 20421.7830 14529.7895 239.1102 -203552.5680 2407.6943 0.0000 0.0000 52058.1317 -109825.3865 299.1788 -161883.5183 -109459.8166 299.2073 -252.8165 -224.5844 761536.6852 20.6619 20.6938 PRESSURE: 4369800 -486.385 54.5183 177.29 54.5188 -46.267 102.067 177.29 102.068 -355.315 GPRESSURE: 4369800 -359.445 165.717 178.768 94.8183 -75.139 57.9821 126.632 65.8744 -368.702 PRESSAVG: 4369800 -4.05377 -42.3176 -15.7672 -42.3176 -41.9247 3.84797 -15.7672 3.848 -12.2832 GPRESSAVG: 4369800 -4.07532 -41.9187 -14.1669 -41.4617 -42.0093 4.24465 -17.6913 3.59427 -11.864 TIMING: 4369800 CPU: 14126.6, 0.00314941/step Wall: 14126.6, 0.00314941/step, 0.551322 hours remaining, 234.554688 MB of memory in use. ENERGY: 4369800 4024.6325 20570.3560 14497.5420 244.1632 -203207.8895 2312.1627 0.0000 0.0000 51863.3513 -109695.6818 298.0594 -161559.0331 -109333.8070 298.8596 -295.9891 -267.7622 761607.0309 -19.4205 -19.3162 PRESSURE: 4370000 34.4411 192.099 -115.18 192.098 424.693 50.8777 -115.181 50.8788 233.156 GPRESSURE: 4370000 32.7909 164.805 -137.866 198.761 523.255 41.8189 -135.143 94.8343 244.395 PRESSAVG: 4370000 1.61644 47.0408 -16.1347 47.0408 -31.7012 10.7143 -16.1347 10.7143 15.3463 GPRESSAVG: 4370000 1.15556 47.7618 -15.496 43.6163 -31.0297 11.2882 -15.8567 12.4476 14.8795 TIMING: 4370000 CPU: 14127.3, 0.00315393/step Wall: 14127.3, 0.00315393/step, 0.551938 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4370000 3957.4802 20586.1562 14478.8571 229.4980 -203615.3856 2605.0802 0.0000 0.0000 52346.0598 -109412.2540 300.8335 -161758.3139 -109043.5882 299.6870 230.7636 266.8136 759704.0362 -4.9128 -4.9982 PRESSURE: 4370200 -96.5903 -122.049 -235.78 -122.049 -41.9192 -113.84 -235.779 -113.841 -20.4376 GPRESSURE: 4370200 -57.2288 -211.432 -182.77 1.60823 66.0905 -122.015 -368.458 -52.5817 -83.746 PRESSAVG: 4370200 -64.1662 -41.2278 -29.1328 -41.2278 32.2503 11.5962 -29.1328 11.5962 -17.9112 GPRESSAVG: 4370200 -64.305 -41.6595 -28.8057 -39.1649 32.6524 11.3083 -29.0327 11.3031 -18.1612 TIMING: 4370200 CPU: 14127.9, 0.00319104/step Wall: 14127.9, 0.00319104/step, 0.558255 hours remaining, 234.554688 MB of memory in use. ENERGY: 4370200 3959.6851 20542.8039 14542.4132 251.5707 -203351.6326 2629.6389 0.0000 0.0000 52017.0701 -109408.4507 298.9428 -161425.5208 -109039.3034 299.8528 -52.9824 -24.9614 761221.1759 -16.6090 -16.6046 PRESSURE: 4370400 46.6289 45.5103 -35.2544 45.5098 151.245 104.174 -35.2542 104.173 -226.08 GPRESSURE: 4370400 -20.5923 139.02 -56.0064 50.0585 185.16 141.238 -39.6039 115.68 -118.034 PRESSAVG: 4370400 -12.5731 13.7076 -9.61501 13.7076 -11.5344 -3.0939 -9.61499 -3.09387 0.82504 GPRESSAVG: 4370400 -12.6712 14.4473 -10.6919 15.0826 -12.1125 -2.9271 -8.31044 -3.50381 0.715668 TIMING: 4370400 CPU: 14128.5, 0.00320186/step Wall: 14128.5, 0.00320186/step, 0.55997 hours remaining, 234.554688 MB of memory in use. ENERGY: 4370400 4003.4863 20571.2428 14493.8679 262.5140 -203352.7197 2615.9331 0.0000 0.0000 52144.8163 -109260.8594 299.6770 -161405.6757 -108894.6757 300.0976 -9.4019 15.5113 761642.3815 -7.7608 -8.0227 PRESSURE: 4370600 -94.3984 -116.52 179.131 -116.52 229.05 -67.0196 179.129 -67.0188 -67.8863 GPRESSURE: 4370600 -60.2114 -192.468 133.156 -69.2077 176.95 -64.1219 294.949 -26.5244 41.8422 PRESSAVG: 4370600 -6.7272 -11.233 -51.9951 -11.233 -3.34018 -51.2397 -51.9951 -51.2398 11.278 GPRESSAVG: 4370600 -5.74345 -11.4486 -51.3786 -11.8263 -4.22676 -53.0509 -50.8877 -51.5884 11.5161 TIMING: 4370600 CPU: 14129.2, 0.00319403/step Wall: 14129.2, 0.00319403/step, 0.558424 hours remaining, 234.554688 MB of memory in use. ENERGY: 4370600 3982.1610 20498.5437 14469.6923 242.3600 -203246.5495 2308.0356 0.0000 0.0000 52322.9528 -109422.8040 300.7007 -161745.7568 -109053.5062 299.5172 22.2552 52.8603 761599.2786 0.4035 0.5153 PRESSURE: 4370800 -171.668 -72.5109 -190.717 -72.5108 -478.284 -21.9468 -190.716 -21.9473 -450.168 GPRESSURE: 4370800 -127.383 -42.864 -175.324 -76.1211 -397.427 -60.8996 -201.084 58.5269 -486.465 PRESSAVG: 4370800 -17.8669 3.53134 -30.3479 3.53129 10.0222 -40.4156 -30.3478 -40.4156 -3.80813 GPRESSAVG: 4370800 -18.3469 5.38438 -29.0571 1.70562 10.6018 -38.647 -32.6258 -39.9717 -3.75297 TIMING: 4370800 CPU: 14129.8, 0.00317645/step Wall: 14129.8, 0.00317645/step, 0.555173 hours remaining, 234.554688 MB of memory in use. ENERGY: 4370800 4018.9248 20565.3239 14385.0870 251.7217 -203511.5234 2528.0517 0.0000 0.0000 52291.7428 -109470.6715 300.5214 -161762.4143 -109106.6231 299.9280 -366.7066 -337.0915 762082.0185 -3.8843 -3.8327 PRESSURE: 4371000 163.158 -161.537 -122.299 -161.536 391.113 -89.5383 -122.299 -89.5388 121.977 GPRESSURE: 4371000 214.18 -156.97 -129.806 -61.3497 282.179 -166.398 -126.826 -34.0251 261.62 PRESSAVG: 4371000 -6.81029 -5.59003 -16.5582 -5.58999 -2.62246 -13.4098 -16.5582 -13.4098 14.5501 GPRESSAVG: 4371000 -6.63482 -8.30847 -19.0181 -4.65134 -3.17104 -12.9758 -15.8139 -12.6264 14.1389 TIMING: 4371000 CPU: 14130.5, 0.0031818/step Wall: 14130.5, 0.0031818/step, 0.555932 hours remaining, 234.554688 MB of memory in use. ENERGY: 4371000 4014.5468 20699.3689 14501.5193 238.7150 -203632.0565 2866.7777 0.0000 0.0000 52032.0704 -109279.0582 299.0290 -161311.1286 -108923.2542 299.8182 225.4164 252.6595 762052.0523 1.7058 1.4444 PRESSURE: 4371200 196.788 -120.435 244.865 -120.435 131.994 -53.0428 244.865 -53.0431 144.837 GPRESSURE: 4371200 155.102 -89.8931 244.062 -58.1579 211.989 -129.156 349.082 30.9093 188.774 PRESSAVG: 4371200 20.7335 -43.6145 -26.6127 -43.6145 -9.40119 -21.8249 -26.6126 -21.8248 16.2123 GPRESSAVG: 4371200 21.3581 -41.7782 -25.4682 -43.9153 -9.30222 -23.6303 -24.8294 -22.5938 15.4461 TIMING: 4371200 CPU: 14131.1, 0.00319019/step Wall: 14131.1, 0.00319019/step, 0.55722 hours remaining, 234.554688 MB of memory in use. ENERGY: 4371200 3972.5481 20540.9994 14449.0372 257.4422 -203167.8968 2512.6128 0.0000 0.0000 52082.3217 -109352.9354 299.3178 -161435.2571 -108995.2789 299.4627 157.8731 185.2883 760186.7732 9.1815 9.1673 PRESSURE: 4371400 62.3279 -80.8135 237.466 -80.8131 -210.421 56.6371 237.466 56.6376 -57.4543 GPRESSURE: 4371400 73.3939 -88.7723 194.251 -108.781 -129.008 71.2292 111.278 75.5517 -40.3967 PRESSAVG: 4371400 51.0575 -39.7485 28.4255 -39.7485 -58.714 -1.82867 28.4256 -1.82871 -8.38376 GPRESSAVG: 4371400 49.6523 -41.043 28.239 -38.6841 -58.1747 -0.678545 27.9471 -1.5978 -7.40519 TIMING: 4371400 CPU: 14131.7, 0.00318296/step Wall: 14131.7, 0.00318296/step, 0.55578 hours remaining, 234.554688 MB of memory in use. ENERGY: 4371400 3998.7659 20532.9680 14453.9946 236.4717 -203252.1377 2407.2347 0.0000 0.0000 52076.2820 -109546.4207 299.2831 -161622.7027 -109184.7644 299.3024 -68.5158 -32.0035 760987.5202 -5.3468 -5.3092 PRESSURE: 4371600 -289.894 29.6386 152.555 29.6399 -108.452 -114.717 152.555 -114.717 116.015 GPRESSURE: 4371600 -212.926 -39.0534 91.3687 22.231 -106.625 -150.485 192.946 77.2037 109.403 PRESSAVG: 4371600 5.22968 17.4478 -50.1549 17.4477 37.8621 -22.3152 -50.1549 -22.3153 5.86378 GPRESSAVG: 4371600 5.55308 18.3729 -50.3045 16.3156 37.9032 -23.0535 -52.9727 -20.7426 5.758 TIMING: 4371600 CPU: 14132.4, 0.0031717/step Wall: 14132.4, 0.0031717/step, 0.553637 hours remaining, 234.554688 MB of memory in use. ENERGY: 4371600 3952.5108 20565.9285 14514.3413 259.0372 -203540.5863 2489.5949 0.0000 0.0000 52025.8598 -109733.3138 298.9933 -161759.1736 -109373.3704 298.8081 -94.1103 -70.0494 760344.1725 16.3185 16.4048 PRESSURE: 4371800 -45.305 -242.537 -128.282 -242.538 -25.1214 -24.0942 -128.282 -24.0936 81.3282 GPRESSURE: 4371800 -61.2424 -347.632 -106.364 -157.904 13.5149 6.82647 -186.162 -178.991 161.474 PRESSAVG: 4371800 43.578 2.37446 3.86168 2.37449 -34.2625 -22.1419 3.86169 -22.142 20.8414 GPRESSAVG: 4371800 43.2833 -0.43529 3.72362 4.16804 -34.5155 -22.5008 5.68386 -23.8413 21.0986 TIMING: 4371800 CPU: 14133, 0.00315383/step Wall: 14133, 0.00315383/step, 0.550343 hours remaining, 234.554688 MB of memory in use. ENERGY: 4371800 3977.0856 20262.8152 14496.1623 243.9608 -203442.6181 2555.0020 0.0000 0.0000 51956.8616 -109950.7307 298.5968 -161907.5922 -109584.7597 298.2795 3.6339 37.9156 760225.3401 10.0523 9.9555 PRESSURE: 4372000 -346.5 224.161 -98.1829 224.16 -215.781 40.8652 -98.1824 40.8639 -249.895 GPRESSURE: 4372000 -276.006 132.143 -39.2615 239.936 -149.886 43.5918 -84.8928 115.123 -256.561 PRESSAVG: 4372000 19.8395 -70.968 -3.01785 -70.968 -4.19606 -10.3851 -3.01783 -10.3851 6.60887 GPRESSAVG: 4372000 20.0385 -69.9056 -2.29167 -71.0631 -3.96236 -8.9118 -2.9922 -9.53967 6.60153 TIMING: 4372000 CPU: 14133.6, 0.00317627/step Wall: 14133.6, 0.00317627/step, 0.554083 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4372000 4062.2416 20454.9053 14405.8063 239.3335 -203672.4736 2407.0599 0.0000 0.0000 51941.6927 -110161.4344 298.5096 -162103.1271 -109807.8807 298.2656 -270.7255 -227.4845 759525.6275 7.4174 7.5592 PRESSURE: 4372200 -69.7108 -191.135 56.1148 -191.134 222.437 -192.832 56.1143 -192.831 51.6238 GPRESSURE: 4372200 58.8966 -165.076 115.341 -182.384 195.521 -245.466 112.434 -145.197 34.6699 PRESSAVG: 4372200 66.5893 6.10181 -12.172 6.10178 -84.6446 -83.4227 -12.172 -83.4227 -14.2116 GPRESSAVG: 4372200 66.439 8.15042 -13.1553 3.9658 -85.0347 -84.4475 -12.4104 -81.9809 -13.7492 TIMING: 4372200 CPU: 14134.3, 0.00312799/step Wall: 14134.3, 0.00312799/step, 0.545487 hours remaining, 234.554688 MB of memory in use. ENERGY: 4372200 4022.0843 20533.0525 14469.1535 246.0262 -203482.0274 2495.4449 0.0000 0.0000 51734.1366 -109982.1292 297.3168 -161716.2659 -109624.9578 297.9002 68.1166 96.3624 761157.6078 -10.7556 -10.7816 LDB: ============= START OF LOAD BALANCING ============== 14146.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14146.7 LDB: =============== DONE WITH MIGRATION ================ 14146.7 LDB: ============= START OF LOAD BALANCING ============== 14147 LDB: Largest compute 7049 load 0.034601 is 17.7% of average load 0.195583 LDB: Average compute 0.004405 is 2.3% of average load 0.195583 LDB: TIME 14147 LOAD: AVG 0.195583 MAX 0.212992 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.742 MB LDB: TIME 14147 LOAD: AVG 0.195583 MAX 0.212992 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: TIME 14147 LOAD: AVG 0.195583 MAX 0.212992 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: ============== END OF LOAD BALANCING =============== 14147 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14147 PRESSURE: 4372400 116.362 -57.1792 143.879 -57.1786 -227.831 180.806 143.88 180.807 -238.865 GPRESSURE: 4372400 130.73 29.5257 122.961 -54.2338 -217.742 195.499 63.7633 205.609 -186.63 PRESSAVG: 4372400 81.1462 -17.9281 -29.3141 -17.928 -10.388 -10.2513 -29.3141 -10.2513 -27.5146 GPRESSAVG: 4372400 81.348 -19.5727 -28.079 -16.6617 -11.0462 -9.15058 -28.7891 -12.2997 -27.3603 TIMING: 4372400 CPU: 14134.9, 0.00322779/step Wall: 14134.9, 0.00322779/step, 0.562711 hours remaining, 235.835938 MB of memory in use. ENERGY: 4372400 3937.8964 20622.4944 14564.5306 238.2029 -203689.6663 2587.8519 0.0000 0.0000 51925.7530 -109812.9371 298.4180 -161738.6901 -109452.2428 298.9031 -116.7782 -91.2141 759977.5671 14.4146 14.3138 PRESSURE: 4372600 -44.4417 -82.7802 -357.906 -82.7798 132.74 107.922 -357.906 107.923 1.46731 GPRESSURE: 4372600 -30.3891 2.3698 -305.874 -122.203 175.405 97.7339 -329.828 54.9365 30.9768 PRESSAVG: 4372600 26.7349 -26.9121 -20.4564 -26.9121 -12.2642 -42.5139 -20.4564 -42.5138 1.45569 GPRESSAVG: 4372600 24.3503 -25.4417 -21.2108 -26.8611 -10.5502 -44.5504 -20.6663 -40.681 1.82415 TIMING: 4372600 CPU: 14135.5, 0.00314421/step Wall: 14135.5, 0.00314421/step, 0.547965 hours remaining, 236.039062 MB of memory in use. ENERGY: 4372600 3993.0045 20392.6016 14520.1726 240.3081 -203523.1104 2645.9854 0.0000 0.0000 51796.9824 -109934.0557 297.6780 -161731.0381 -109573.7400 298.4608 29.9220 58.6641 762336.4374 5.3088 5.2081 PRESSURE: 4372800 -220.208 -24.7878 12.3204 -24.7882 -446.663 166.365 12.3204 166.366 -118.38 GPRESSURE: 4372800 -198.6 3.59452 52.9515 -197.02 -380.581 183.944 35.6465 81.3304 -117.83 PRESSAVG: 4372800 2.90363 45.5875 15.5025 45.5875 -37.7079 -26.3684 15.5026 -26.3684 -3.32251 GPRESSAVG: 4372800 4.18378 45.3011 15.0119 46.3155 -38.5123 -24.3985 15.1579 -30.1421 -3.25114 TIMING: 4372800 CPU: 14136.2, 0.00315699/step Wall: 14136.2, 0.00315699/step, 0.550018 hours remaining, 236.039062 MB of memory in use. ENERGY: 4372800 3985.0533 20503.2548 14467.1886 240.3524 -203454.6471 2554.3163 0.0000 0.0000 51830.7368 -109873.7449 297.8720 -161704.4817 -109514.1244 297.7799 -261.7502 -232.3371 762453.1229 -12.7089 -12.5266 PRESSURE: 4373000 83.8102 -103.074 -65.1895 -103.073 80.3146 178.562 -65.1899 178.562 -234.436 GPRESSURE: 4373000 148.452 -61.5705 -144.396 -91.5808 147.493 114.472 -5.63415 144.682 -273.15 PRESSAVG: 4373000 -16.8525 -21.7309 68.4236 -21.7309 9.33415 6.93401 68.4237 6.93405 2.63795 GPRESSAVG: 4373000 -16.2185 -22.3819 68.1068 -21.3521 9.24656 6.19507 70.0164 8.72392 2.22832 TIMING: 4373000 CPU: 14136.8, 0.0031648/step Wall: 14136.8, 0.0031648/step, 0.551203 hours remaining, 236.039062 MB of memory in use. ENERGY: 4373000 3947.2265 20539.0749 14479.2823 228.5320 -203565.2534 2499.9785 0.0000 0.0000 51830.9990 -110040.1602 297.8735 -161871.1593 -109675.9623 298.2132 -23.4372 7.5981 760411.9048 -1.6268 -1.5812 PRESSURE: 4373200 81.5298 110.254 13.9722 110.255 -156.666 -182.381 13.9714 -182.382 86.8912 GPRESSURE: 4373200 117.1 63.3992 12.1295 136.831 -195.757 -151.785 -15.825 -181.784 160.835 PRESSAVG: 4373200 61.4498 32.3248 14.9401 32.3247 -38.8898 10.932 14.9401 10.9319 1.69729 GPRESSAVG: 4373200 61.6025 32.3421 16.3915 30.7291 -39.6653 10.9751 13.7121 13.2566 1.84395 TIMING: 4373200 CPU: 14137.4, 0.00318626/step Wall: 14137.4, 0.00318626/step, 0.554763 hours remaining, 236.039062 MB of memory in use. ENERGY: 4373200 4004.3448 20482.8302 14462.8852 229.3083 -203471.7327 2599.7583 0.0000 0.0000 51783.4451 -109909.1609 297.6002 -161692.6059 -109551.5282 298.2514 3.9183 27.3927 759469.6215 8.0858 7.9271 PRESSURE: 4373400 -52.3849 -34.7235 -248.905 -34.7236 -10.6987 14.8869 -248.905 14.8869 -10.8377 GPRESSURE: 4373400 67.3761 -2.45324 -299.206 -93.2151 -8.06349 -67.9265 -169.334 52.9277 -38.3422 PRESSAVG: 4373400 33.0155 32.5992 12.3189 32.5992 -15.7413 30.3091 12.3189 30.309 12.6573 GPRESSAVG: 4373400 33.9382 32.3097 11.3108 33.7757 -15.1049 29.6998 13.3043 28.5307 11.7572 TIMING: 4373400 CPU: 14138.1, 0.0031736/step Wall: 14138.1, 0.0031736/step, 0.552383 hours remaining, 236.304688 MB of memory in use. ENERGY: 4373400 3915.8851 20597.9974 14486.7163 241.9501 -203483.4307 2585.1476 0.0000 0.0000 51862.6520 -109793.0823 298.0554 -161655.7342 -109437.9677 298.4315 -24.6404 6.9901 761568.4380 9.9772 10.1968 PRESSURE: 4373600 -27.4134 -23.3157 95.2847 -23.3153 -224.367 13.6943 95.2839 13.6955 -353.043 GPRESSURE: 4373600 -113.384 -15.5982 88.4738 -108.753 -113.074 0.587279 22.9914 -74.1792 -277.466 PRESSAVG: 4373600 15.0689 -14.1106 -19.6503 -14.1106 -10.6635 -15.0895 -19.6503 -15.0896 14.9972 GPRESSAVG: 4373600 13.8715 -15.4277 -20.5768 -15.0292 -11.5801 -15.4222 -19.1297 -12.8047 16.9004 TIMING: 4373600 CPU: 14138.7, 0.0031536/step Wall: 14138.7, 0.0031536/step, 0.548727 hours remaining, 236.304688 MB of memory in use. ENERGY: 4373600 4030.8542 20609.7422 14461.3572 235.2143 -203196.3718 2282.3517 0.0000 0.0000 51956.8217 -109620.0306 298.5966 -161576.8522 -109258.7668 298.8182 -201.6078 -167.9746 761703.9077 6.4675 6.3973 PRESSURE: 4373800 499.568 -176.318 -213.333 -176.318 176.116 78.2364 -213.334 78.2365 90.9617 GPRESSURE: 4373800 586.423 -227.647 -265.229 -79.5032 183.131 88.3788 -100.166 76.3679 103.317 PRESSAVG: 4373800 84.2372 -17.8069 14.3991 -17.8069 -50.7526 0.585674 14.3991 0.585664 2.95841 GPRESSAVG: 4373800 82.691 -17.4124 14.7474 -17.1865 -48.3693 -0.329171 11.2325 0.731044 2.32008 TIMING: 4373800 CPU: 14139.3, 0.00313828/step Wall: 14139.3, 0.00313828/step, 0.545887 hours remaining, 236.304688 MB of memory in use. ENERGY: 4373800 3942.4760 20336.6064 14536.3574 247.4328 -203764.2628 2723.4825 0.0000 0.0000 52308.6755 -109669.2323 300.6187 -161977.9078 -109296.5850 299.0684 255.5485 290.9570 759077.0605 12.1477 12.2139 PRESSURE: 4374000 286.158 121.997 23.6768 121.998 389.856 54.2084 23.6762 54.2094 -38.5285 GPRESSURE: 4374000 333.766 55.051 -20.1557 63.7615 383.723 -12.4698 97.9819 103.204 5.66813 PRESSAVG: 4374000 -13.082 8.08266 55.5437 8.08262 -26.3736 17.2584 55.5437 17.2584 -11.9501 GPRESSAVG: 4374000 -11.6163 8.74665 55.749 9.14577 -26.9634 18.7944 57.7829 15.4568 -12.4186 TIMING: 4374000 CPU: 14140, 0.00315306/step Wall: 14140, 0.00315306/step, 0.548282 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4374000 3986.2597 20512.6107 14519.5112 253.5507 -203649.3528 2723.5172 0.0000 0.0000 52235.1569 -109418.7465 300.1962 -161653.9035 -109056.2979 299.8177 212.4949 241.0526 760517.0646 -17.1353 -16.9995 PRESSURE: 4374200 122.366 20.9674 93.0777 20.9671 14.3998 -40.2925 93.0782 -40.2931 -29.9652 GPRESSURE: 4374200 186.656 107.972 48.4284 93.0432 81.3074 -37.9056 -13.3535 -70.0929 -52.7358 PRESSAVG: 4374200 98.4521 12.3724 84.793 12.3724 -47.5828 42.3302 84.793 42.3302 -22.4498 GPRESSAVG: 4374200 97.1005 12.4115 85.059 10.916 -47.0423 43.5116 84.8034 41.2615 -22.3203 TIMING: 4374200 CPU: 14140.6, 0.00316605/step Wall: 14140.6, 0.00316605/step, 0.550365 hours remaining, 236.304688 MB of memory in use. ENERGY: 4374200 3893.7473 20502.1213 14478.4269 248.7449 -203446.3378 2702.9752 0.0000 0.0000 52245.3549 -109374.9674 300.2548 -161620.3223 -109018.2859 299.7888 35.6002 71.7426 761361.1831 9.4731 9.2460 PRESSURE: 4374400 -215.874 8.54226 110.324 8.543 7.95928 -19.2622 110.324 -19.2621 -14.2367 GPRESSURE: 4374400 -106.736 52.8143 76.0127 81.8351 -7.68102 32.8368 9.31474 24.7029 -21.0406 PRESSAVG: 4374400 4.04009 -4.47121 56.5218 -4.47114 4.02219 43.3301 56.5219 43.3301 -11.1597 GPRESSAVG: 4374400 4.26613 -3.03471 54.4214 -3.77348 4.02293 41.9656 57.265 42.8019 -12.1081 TIMING: 4374400 CPU: 14141.2, 0.00310766/step Wall: 14141.2, 0.00310766/step, 0.540043 hours remaining, 236.304688 MB of memory in use. ENERGY: 4374400 3955.7274 20627.2996 14423.5925 231.0205 -203310.2217 2718.1900 0.0000 0.0000 52132.3123 -109222.0795 299.6051 -161354.3918 -108862.5506 299.5932 -74.0505 -45.1525 761242.2281 -1.0325 -1.2730 PRESSURE: 4374600 -14.2237 -168.971 72.1768 -168.971 73.236 -359.911 72.177 -359.911 -9.82489 GPRESSURE: 4374600 26.0553 -301.948 164.139 -171.508 148.931 -344.757 35.8403 -213.889 -57.3402 PRESSAVG: 4374600 -4.50576 -14.4489 49.4938 -14.4488 -30.9287 31.4517 49.4938 31.4517 -22.4139 GPRESSAVG: 4374600 -3.98049 -16.409 50.4238 -16.0495 -31.1248 31.7966 49.2546 33.647 -22.9961 TIMING: 4374600 CPU: 14141.8, 0.00311041/step Wall: 14141.8, 0.00311041/step, 0.540348 hours remaining, 236.304688 MB of memory in use. ENERGY: 4374600 4025.9983 20596.6828 14431.0305 241.6622 -203451.7202 2766.2256 0.0000 0.0000 52203.0529 -109187.0679 300.0117 -161390.1208 -108835.5635 299.9534 16.3958 39.2155 760577.0228 -19.2828 -19.3671 PRESSURE: 4374800 99.7356 120.567 21.6461 120.567 94.9023 37.4228 21.6458 37.423 208.83 GPRESSURE: 4374800 123.725 75.2529 -3.29951 156.518 134.552 47.5345 37.2703 -28.3751 217.582 PRESSAVG: 4374800 -5.99593 -58.7442 26.8762 -58.7442 25.8435 55.8766 26.8762 55.8766 -8.43218 GPRESSAVG: 4374800 -6.39774 -57.8211 26.4469 -61.4058 25.4709 58.6451 27.2293 52.9305 -7.93292 TIMING: 4374800 CPU: 14142.5, 0.00312581/step Wall: 14142.5, 0.0031258/step, 0.542848 hours remaining, 236.304688 MB of memory in use. ENERGY: 4374800 3965.8083 20628.0960 14545.0552 246.1772 -203192.9281 2578.4563 0.0000 0.0000 52196.1554 -109033.1798 299.9720 -161229.3352 -108674.1561 299.7845 134.4893 158.6197 760698.3308 3.8051 3.7134 PRESSURE: 4375000 194.64 -65.3476 6.09779 -65.3474 -151.862 229.559 6.09777 229.557 136.487 GPRESSURE: 4375000 237.877 -103.092 33.7091 -99.6993 -98.5809 254.558 -33.4213 184.064 121.153 PRESSAVG: 4375000 -39.1594 -44.2138 46.5689 -44.2138 48.4838 33.3023 46.5689 33.3023 10.8318 GPRESSAVG: 4375000 -40.1023 -45.4785 47.2682 -41.653 48.6327 30.9513 45.5435 34.0194 11.6528 TIMING: 4375000 CPU: 14143.1, 0.00312965/step Wall: 14143.1, 0.00312965/step, 0.543343 hours remaining, 236.304688 MB of memory in use. ENERGY: 4375000 3944.8371 20477.3195 14505.3941 251.8509 -203055.4799 2514.2492 0.0000 0.0000 52110.1806 -109251.6484 299.4779 -161361.8291 -108889.1168 300.1043 59.7549 86.8162 761989.3768 6.7187 6.7277 PRESSURE: 4375200 229.275 -216.232 186.013 -216.232 46.363 239.164 186.013 239.164 382.249 GPRESSURE: 4375200 332.877 -268.446 203.337 -244.295 11.4525 230.451 176.048 265.696 396.742 PRESSAVG: 4375200 -18.6599 9.46308 35.4521 9.46311 1.76538 26.8363 35.4521 26.8363 12.6537 GPRESSAVG: 4375200 -18.0941 8.51481 34.9345 10.1373 1.63841 26.6552 37.517 27.8677 11.2836 TIMING: 4375200 CPU: 14143.7, 0.00312719/step Wall: 14143.7, 0.00312719/step, 0.54274 hours remaining, 236.304688 MB of memory in use. ENERGY: 4375200 3964.1322 20395.7015 14546.1539 233.5359 -202874.3093 2452.7551 0.0000 0.0000 52120.4573 -109161.5735 299.5370 -161282.0307 -108797.5327 299.8507 219.2958 247.0236 760411.5559 -1.4136 -1.7240 PRESSURE: 4375400 236.648 104.64 -54.866 104.641 -173.957 254.182 -54.8658 254.182 98.0415 GPRESSURE: 4375400 268.22 111.193 17.6456 140.395 -132.438 219.563 -110.675 208.035 113.815 PRESSAVG: 4375400 42.3183 4.82988 9.59237 4.82989 2.59766 9.16818 9.59236 9.16812 -2.27561 GPRESSAVG: 4375400 43.0389 7.49024 9.92241 2.8179 1.33851 8.53104 10.2006 8.24151 -2.0721 TIMING: 4375400 CPU: 14144.3, 0.00315512/step Wall: 14144.3, 0.00315512/step, 0.547413 hours remaining, 236.304688 MB of memory in use. ENERGY: 4375400 3973.6109 20551.6491 14493.3626 253.8436 -203300.5995 2641.1590 0.0000 0.0000 52103.6932 -109283.2812 299.4406 -161386.9744 -108924.7580 300.1216 53.5772 83.1989 761096.1121 14.2134 14.1018 PRESSURE: 4375600 -6.23685 -157.817 24.7974 -157.817 -314.177 -144.563 24.7985 -144.565 -361.58 GPRESSURE: 4375600 -142.331 -141.069 25.7336 -215.194 -195.767 -192.758 -64.5025 -70.6929 -256.625 PRESSAVG: 4375600 30.7392 -5.12319 -33.1643 -5.12316 -13.5947 -20.1851 -33.1643 -20.1852 -13.2165 GPRESSAVG: 4375600 29.5413 -4.19027 -32.674 -4.13024 -14.0025 -20.0544 -35.6274 -20.0487 -11.3561 TIMING: 4375600 CPU: 14145, 0.00314745/step Wall: 14145, 0.00314745/step, 0.545907 hours remaining, 236.304688 MB of memory in use. ENERGY: 4375600 3914.0688 20601.8594 14425.2239 242.8117 -202801.8980 2059.5993 0.0000 0.0000 52178.5492 -109379.7856 299.8708 -161558.3348 -109015.7190 299.8163 -227.3314 -198.2411 761493.6439 1.3093 1.3942 PRESSURE: 4375800 73.3228 81.7374 293.61 81.7368 -90.3145 118.429 293.61 118.43 246.061 GPRESSURE: 4375800 135.761 96.2183 272.14 121.57 -75.7694 8.41703 302.515 30.9606 232.13 PRESSAVG: 4375800 -6.22132 -13.5439 13.0234 -13.5439 10.6337 58.9029 13.0234 58.9028 -2.13248 GPRESSAVG: 4375800 -5.80504 -13.8124 13.3434 -16.7926 12.3061 59.9917 13.6034 60.1398 -4.18913 TIMING: 4375800 CPU: 14145.6, 0.0031401/step Wall: 14145.6, 0.0031401/step, 0.544458 hours remaining, 236.304688 MB of memory in use. ENERGY: 4375800 4066.9150 20522.8968 14440.8288 247.0173 -203005.9301 2498.9956 0.0000 0.0000 52309.5165 -108919.7600 300.6235 -161229.2764 -108559.2025 299.9893 76.3564 97.3737 761773.0822 0.7600 0.7706 PRESSURE: 4376000 144.842 106.937 178.007 106.938 -154.549 -110.722 178.007 -110.724 -200.565 GPRESSURE: 4376000 39.011 -12.7778 287.57 12.1085 -46.6664 -57.43 172.897 46.2192 -108.794 PRESSAVG: 4376000 64.1281 -27.6727 66.7859 -27.6727 -53.1811 -4.76739 66.7859 -4.76742 -5.22642 GPRESSAVG: 4376000 63.6324 -28.0414 66.9869 -24.9888 -53.8266 -5.19886 67.212 -4.85479 -4.04564 TIMING: 4376000 CPU: 14146.2, 0.00315269/step Wall: 14146.2, 0.00315269/step, 0.546467 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4376000 4033.3355 20622.4342 14526.8770 232.7376 -203763.2628 3000.3869 0.0000 0.0000 52249.1206 -109098.3710 300.2764 -161347.4915 -108732.2983 300.5195 -70.0908 -38.8164 760897.0591 1.9069 1.9201 PRESSURE: 4376200 58.7176 88.3723 -122.84 88.3726 -51.1033 63.7042 -122.84 63.704 193.189 GPRESSURE: 4376200 109.845 168.685 -73.0094 89.0742 20.2565 0.541024 -49.7951 -14.9274 172.01 PRESSAVG: 4376200 -0.626564 -46.6452 45.6953 -46.6452 -4.24089 -14.1177 45.6953 -14.1176 27.8009 GPRESSAVG: 4376200 -0.322246 -48.5206 45.5377 -45.3422 -4.31587 -14.8011 44.1009 -14.275 27.685 TIMING: 4376200 CPU: 14146.9, 0.00315179/step Wall: 14146.9, 0.00315179/step, 0.546135 hours remaining, 236.304688 MB of memory in use. ENERGY: 4376200 4050.2193 20626.9156 14522.7265 249.0404 -203290.3132 2453.2751 0.0000 0.0000 52333.8633 -109054.2729 300.7634 -161388.1362 -108697.1065 300.2486 66.9346 100.7041 759305.1524 7.6445 7.6823 LDB: ============= START OF LOAD BALANCING ============== 14159.3 LDB: ============== END OF LOAD BALANCING =============== 14159.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14159.3 LDB: ============= START OF LOAD BALANCING ============== 14159.6 LDB: Largest compute 7049 load 0.035161 is 18.0% of average load 0.195505 LDB: Average compute 0.004413 is 2.3% of average load 0.195505 LDB: TIME 14159.6 LOAD: AVG 0.195505 MAX 0.220281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 14159.6 LOAD: AVG 0.195505 MAX 0.220281 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 14159.6 LOAD: AVG 0.195505 MAX 0.214281 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 14159.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14159.6 PRESSURE: 4376400 115.594 -74.8661 191.157 -74.8662 356.171 74.5672 191.156 74.5671 94.3708 GPRESSURE: 4376400 208.279 -79.3155 120.309 87.296 282.706 77.9565 263.356 -63.1997 169.777 PRESSAVG: 4376400 50.7311 49.216 36.358 49.216 -48.3606 21.9417 36.358 21.9417 -1.09218 GPRESSAVG: 4376400 50.9781 50.5091 33.7951 47.8273 -48.7964 21.3287 39.6005 21.6646 -1.24071 TIMING: 4376400 CPU: 14147.5, 0.00323616/step Wall: 14147.5, 0.00323616/step, 0.560574 hours remaining, 234.621094 MB of memory in use. ENERGY: 4376400 4095.0292 20611.9501 14428.9451 241.0783 -203642.3658 2834.5872 0.0000 0.0000 52423.8732 -109006.9026 301.2807 -161430.7758 -108649.7456 300.4367 188.7119 220.2541 759583.6339 0.4261 0.3137 PRESSURE: 4376600 97.3609 -71.3352 79.2583 -71.3353 248.836 273.946 79.2577 273.947 200.817 GPRESSURE: 4376600 108.909 -0.236289 88.6824 -24.3987 276.862 219.326 224.573 284.487 231.277 PRESSAVG: 4376600 25.8523 2.88164 18.0563 2.88162 -8.00377 65.5749 18.0562 65.5749 9.68262 GPRESSAVG: 4376600 25.5313 3.42993 18.5566 3.06781 -7.54603 68.0176 18.1119 64.505 10.1994 TIMING: 4376600 CPU: 14148.1, 0.00314239/step Wall: 14148.1, 0.00314239/step, 0.544157 hours remaining, 234.621094 MB of memory in use. ENERGY: 4376600 3957.0902 20570.6002 14499.4180 232.0605 -203572.8621 2729.0559 0.0000 0.0000 52283.7594 -109300.8779 300.4755 -161584.6373 -108927.4323 300.0703 182.3380 205.6831 761124.7107 9.1771 9.3949 PRESSURE: 4376800 35.3639 36.9369 19.5516 36.9369 71.3597 -70.0039 19.5518 -70.0037 11.5525 GPRESSURE: 4376800 92.9928 126.235 77.4816 70.1333 51.0367 -158.715 132.842 -105.889 53.5023 PRESSAVG: 4376800 41.7399 -28.3286 58.4478 -28.3286 -18.9802 55.5208 58.4478 55.5209 -1.29115 GPRESSAVG: 4376800 40.8723 -29.583 59.9717 -27.9438 -18.5973 51.9872 58.4902 55.435 -1.33929 TIMING: 4376800 CPU: 14148.8, 0.00313606/step Wall: 14148.8, 0.00313606/step, 0.542886 hours remaining, 234.621094 MB of memory in use. ENERGY: 4376800 4012.1560 20450.6016 14446.8925 258.1587 -203585.5444 2706.0272 0.0000 0.0000 52265.0929 -109446.6154 300.3682 -161711.7084 -109088.3020 299.5220 39.4254 65.8439 760667.3405 7.1562 6.9786 PRESSURE: 4377000 179.133 -14.1879 -6.67486 -14.1888 28.8436 -47.7405 -6.67398 -47.7401 666.59 GPRESSURE: 4377000 327.095 64.3512 -9.69181 -18.6889 49.6643 -28.4873 -0.910475 29.5405 589.845 PRESSAVG: 4377000 29.2877 -5.66269 16.5546 -5.66268 -31.4365 26.5335 16.5546 26.5335 10.307 GPRESSAVG: 4377000 30.4151 -5.7293 16.324 -4.19342 -31.2637 28.8683 14.2166 27.7334 9.38024 TIMING: 4377000 CPU: 14149.4, 0.00314155/step Wall: 14149.4, 0.00314155/step, 0.543662 hours remaining, 234.621094 MB of memory in use. ENERGY: 4377000 3935.4316 20633.7577 14518.9757 261.1553 -203405.3637 2610.2157 0.0000 0.0000 52040.1711 -109405.6566 299.0756 -161445.8276 -109044.0445 299.6495 291.5223 322.2013 759745.0068 2.7194 2.8439 PRESSURE: 4377200 -115.515 92.8802 -12.6015 92.8801 -138.904 -49.9596 -12.6018 -49.9595 58.9394 GPRESSURE: 4377200 -147.014 150.004 70.3952 64.6289 16.4822 -47.4539 35.2061 20.6486 27.5936 PRESSAVG: 4377200 11.4515 -14.5127 1.65593 -14.5126 -45.7015 18.6655 1.65596 18.6654 -6.50874 GPRESSAVG: 4377200 11.3229 -13.7959 2.64741 -15.7465 -46.1221 17.9525 0.967135 19.8757 -5.53848 TIMING: 4377200 CPU: 14150, 0.00314213/step Wall: 14150, 0.00314213/step, 0.543589 hours remaining, 234.828125 MB of memory in use. ENERGY: 4377200 4046.5914 20453.6986 14502.9750 250.6050 -203138.9340 2442.6182 0.0000 0.0000 52011.7641 -109430.6817 298.9123 -161442.4458 -109065.1323 299.0951 -65.1597 -34.3127 760630.7421 -13.5863 -13.4459 PRESSURE: 4377400 -207.628 -113.037 60.8671 -113.038 -367.814 -28.1933 60.8677 -28.193 117.709 GPRESSURE: 4377400 -243.792 -109.941 -61.8029 -94.4092 -286.161 20.0521 10.7645 29.4716 128.927 PRESSAVG: 4377400 64.869 5.40802 44.468 5.40796 -3.99386 88.9297 44.468 88.9297 24.6095 GPRESSAVG: 4377400 63.9819 4.21514 43.6328 3.58466 -4.22919 89.8417 44.1831 87.2254 24.924 TIMING: 4377400 CPU: 14150.7, 0.00313928/step Wall: 14150.7, 0.00313928/step, 0.542921 hours remaining, 234.828125 MB of memory in use. ENERGY: 4377400 4045.9144 20480.7665 14500.6609 260.4507 -203153.3148 2236.2156 0.0000 0.0000 52278.6138 -109350.6928 300.4459 -161629.3066 -108982.5524 299.2525 -152.5779 -133.6753 760829.4136 28.4949 28.2256 PRESSURE: 4377600 -61.3713 -15.1033 53.231 -15.103 -214.529 64.7489 53.231 64.7483 -190.097 GPRESSURE: 4377600 31.9697 -16.3089 68.8109 -15.7133 -192.983 -3.16495 26.9223 108.308 -208.826 PRESSAVG: 4377600 10.8507 9.0799 33.2012 9.07993 -20.1079 14.6156 33.2012 14.6156 -10.3001 GPRESSAVG: 4377600 10.8723 10.0941 35.7808 9.55618 -18.589 14.169 33.9337 15.0279 -11.0924 TIMING: 4377600 CPU: 14151.3, 0.00313391/step Wall: 14151.3, 0.00313391/step, 0.541818 hours remaining, 234.968750 MB of memory in use. ENERGY: 4377600 4034.5488 20547.0575 14530.6393 227.8370 -203490.9668 2655.2176 0.0000 0.0000 52245.9118 -109249.7549 300.2580 -161495.6666 -108885.2840 299.9419 -155.3327 -123.2800 762129.4378 -6.5191 -6.2697 PRESSURE: 4377800 -140.074 -188.895 35.7271 -188.895 37.2972 -129.984 35.7271 -129.983 -200.54 GPRESSURE: 4377800 -2.2899 -240.335 84.9145 -172.119 -46.294 2.38931 -23.7586 -130.441 -177.143 PRESSAVG: 4377800 19.416 14.4049 50.5699 14.4049 21.9897 46.4206 50.5698 46.4207 14.8746 GPRESSAVG: 4377800 20.3653 12.668 46.4342 15.4235 20.0117 45.7535 51.1183 45.0822 15.8797 TIMING: 4377800 CPU: 14151.9, 0.00314488/step Wall: 14151.9, 0.00314488/step, 0.543541 hours remaining, 234.968750 MB of memory in use. ENERGY: 4377800 4051.4867 20639.9147 14486.6683 226.3179 -203173.2439 2528.4936 0.0000 0.0000 51986.1267 -109254.2360 298.7650 -161240.3627 -108884.5203 299.8478 -101.1054 -75.2424 761663.2672 18.7601 18.7522 PRESSURE: 4378000 -115.709 95.0514 -157.579 95.0509 118.646 -234.513 -157.58 -234.512 -2.07432 GPRESSURE: 4378000 -41.3112 164.239 -151.844 233.908 200.65 -266.172 -42.1354 -137.641 -72.0933 PRESSAVG: 4378000 -9.10688 -1.93026 10.6817 -1.93028 5.20262 -19.9387 10.6817 -19.9387 10.5354 GPRESSAVG: 4378000 -9.92991 -0.780712 11.5346 -0.405992 5.87836 -19.4113 11.2427 -17.8857 10.0946 TIMING: 4378000 CPU: 14152.5, 0.00313966/step Wall: 14152.5, 0.00313966/step, 0.542463 hours remaining, 234.968750 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: 4378000 4041.7630 20526.8875 14538.5288 253.4957 -203356.3112 2566.7396 0.0000 0.0000 52194.2073 -109234.6893 299.9608 -161428.8966 -108861.8259 300.1798 0.2876 29.0819 759443.6499 2.2104 2.0144 PRESSURE: 4378200 -103.005 -42.6131 115.075 -42.6137 53.136 -66.0215 115.076 -66.0209 -224.61 GPRESSURE: 4378200 -115.166 25.8066 78.9147 133.707 64.8237 -59.0619 64.5311 -57.2208 -146.624 PRESSAVG: 4378200 -6.51347 17.9361 -38.1234 17.9361 -3.6918 -6.71325 -38.1235 -6.71326 28.1789 GPRESSAVG: 4378200 -7.61484 16.4983 -36.8361 16.416 -3.99873 -6.08189 -39.8211 -6.2442 29.2017 TIMING: 4378200 CPU: 14153.2, 0.00313905/step Wall: 14153.2, 0.00313905/step, 0.542184 hours remaining, 234.968750 MB of memory in use. ENERGY: 4378200 4087.5853 20500.3481 14552.0655 260.1270 -203457.1962 2613.9026 0.0000 0.0000 52033.4193 -109409.7484 299.0368 -161443.1678 -109055.1226 300.0520 -91.4929 -65.6556 759330.7975 5.9912 5.8627 PRESSURE: 4378400 -112.754 -212.487 153.262 -212.488 6.07502 113.789 153.262 113.789 225.545 GPRESSURE: 4378400 -67.3139 -282.131 245.937 -84.127 28.5752 172.293 247.331 130.622 221.958 PRESSAVG: 4378400 5.9219 -19.4578 -18.5056 -19.4577 -6.73846 -25.1616 -18.5056 -25.1615 -29.6854 GPRESSAVG: 4378400 7.3237 -18.4616 -18.5627 -19.6607 -6.21246 -24.2625 -17.5352 -28.3207 -31.8468 TIMING: 4378400 CPU: 14153.8, 0.00312644/step Wall: 14153.8, 0.00312644/step, 0.539832 hours remaining, 234.968750 MB of memory in use. ENERGY: 4378400 3942.5020 20729.3473 14430.3284 238.0625 -203589.3464 2810.5181 0.0000 0.0000 51888.1993 -109550.3887 298.2022 -161438.5881 -109186.2436 299.4690 39.6220 61.0731 760325.7700 -10.1673 -10.2452 PRESSURE: 4378600 -325.307 26.3771 132.237 26.3778 -334.123 -45.0407 132.237 -45.0394 -226.644 GPRESSURE: 4378600 -279.278 -11.1818 200.564 -13.9653 -335.165 -57.7953 99.013 51.7804 -159.83 PRESSAVG: 4378600 14.6609 9.63674 -8.69236 9.63673 -43.634 -29.9777 -8.69239 -29.9777 14.7242 GPRESSAVG: 4378600 15.087 10.1802 -9.25696 8.83928 -44.3973 -30.2048 -9.35689 -26.4587 15.7721 TIMING: 4378600 CPU: 14154.4, 0.00313794/step Wall: 14154.4, 0.00313794/step, 0.541643 hours remaining, 235.023438 MB of memory in use. ENERGY: 4378600 4080.6002 20580.3919 14486.3766 216.0850 -203194.2548 2450.2486 0.0000 0.0000 51889.7654 -109490.7872 298.2112 -161380.5526 -109133.4370 299.5428 -295.3580 -258.0911 761889.1957 -4.7496 -4.5127 PRESSURE: 4378800 57.4852 -186.2 207.409 -186.201 -0.253558 56.9461 207.409 56.9461 310.722 GPRESSURE: 4378800 87.311 -256.052 130.923 -243.739 57.5634 70.3585 128.932 86.5327 297.593 PRESSAVG: 4378800 47.9455 -47.6098 -21.5894 -47.6098 -55.6702 22.3784 -21.5894 22.3784 4.3263 GPRESSAVG: 4378800 46.3076 -47.0031 -22.0321 -46.5758 -54.6408 21.9662 -20.176 21.896 4.32856 TIMING: 4378800 CPU: 14155, 0.00314921/step Wall: 14155, 0.00314921/step, 0.543414 hours remaining, 235.023438 MB of memory in use. ENERGY: 4378800 4002.7244 20514.6885 14409.4092 247.6223 -203163.3331 2293.9630 0.0000 0.0000 52188.8301 -109506.0957 299.9299 -161694.9258 -109142.3975 299.3421 122.6514 147.4891 761249.4136 -1.1328 -1.3349 PRESSURE: 4379000 150.816 -31.8217 -70.9583 -31.8212 -294.866 308.943 -70.957 308.943 -297.739 GPRESSURE: 4379000 193.877 -135.06 -122.082 -23.9427 -225.528 290.491 -173.997 153.954 -324.11 PRESSAVG: 4379000 36.3123 -36.9807 10.3186 -36.9806 -84.1477 17.5383 10.3185 17.5383 -1.80865 GPRESSAVG: 4379000 37.894 -38.5609 10.5322 -37.6683 -85.9549 15.706 9.01671 18.0648 -2.47373 TIMING: 4379000 CPU: 14155.7, 0.00314649/step Wall: 14155.7, 0.00314649/step, 0.54277 hours remaining, 235.023438 MB of memory in use. ENERGY: 4379000 3999.9362 20517.9264 14481.2832 269.1157 -203463.3247 2399.3611 0.0000 0.0000 52043.5081 -109752.1939 299.0948 -161795.7021 -109398.5767 298.6544 -147.2630 -118.5872 760898.3035 -16.5480 -16.8449 PRESSURE: 4379200 -3.06802 -64.9269 -110.505 -64.9272 -195.741 94.497 -110.505 94.4976 229.567 GPRESSURE: 4379200 17.0363 -115.273 -92.1983 49.8452 -118.243 42.8832 -120.741 155.46 228.567 PRESSAVG: 4379200 60.7032 5.03286 13.8618 5.03292 -59.2312 32.4024 13.8619 32.4025 21.614 GPRESSAVG: 4379200 60.7286 5.55938 14.2425 5.76792 -58.3692 31.2374 15.4267 32.5386 21.2544 TIMING: 4379200 CPU: 14156.3, 0.00315053/step Wall: 14156.3, 0.00315053/step, 0.543291 hours remaining, 235.023438 MB of memory in use. ENERGY: 4379200 4021.3032 20518.8498 14448.0396 252.0411 -203499.8803 2445.2327 0.0000 0.0000 51965.7081 -109848.7057 298.6476 -161814.4138 -109488.8182 298.6387 10.2529 42.4534 759641.4573 7.6953 7.8713 PRESSURE: 4379400 -82.1431 72.067 -8.23509 72.066 159.562 30.6448 -8.23504 30.6452 -122.788 GPRESSURE: 4379400 -12.5892 27.4368 37.6772 173.969 119.688 39.6097 -86.3344 122.858 -58.7433 PRESSAVG: 4379400 10.8238 30.455 16.1853 30.455 -42.6268 21.3436 16.1853 21.3436 -0.569183 GPRESSAVG: 4379400 9.67531 32.0284 16.0764 29.3601 -42.3179 23.4336 14.1222 20.6985 0.447275 TIMING: 4379400 CPU: 14156.9, 0.00313416/step Wall: 14156.9, 0.00313416/step, 0.540295 hours remaining, 235.023438 MB of memory in use. ENERGY: 4379400 3967.0318 20493.2735 14450.1837 248.6738 -203367.9353 2376.8583 0.0000 0.0000 52020.9569 -109810.9574 298.9652 -161831.9143 -109443.8794 298.5955 -15.1229 16.1187 760465.9428 -10.7907 -10.7318 PRESSURE: 4379600 1.95917 39.0835 21.3473 39.0829 -174.475 11.1674 21.3462 11.1657 -235.526 GPRESSURE: 4379600 -40.0606 50.4238 22.3201 87.5117 -114.072 14.6206 -21.671 19.7014 -162.647 PRESSAVG: 4379600 64.9095 -18.1408 -17.1339 -18.1408 -50.7763 30.4486 -17.1339 30.4486 -24.9104 GPRESSAVG: 4379600 66.4408 -21.2738 -14.6879 -18.8305 -51.1537 29.1163 -15.9365 31.2825 -25.9845 TIMING: 4379600 CPU: 14157.6, 0.00314708/step Wall: 14157.6, 0.00314708/step, 0.542347 hours remaining, 235.023438 MB of memory in use. ENERGY: 4379600 4010.3314 20505.7415 14460.8058 251.1355 -203549.0491 2449.6148 0.0000 0.0000 52082.3875 -109789.0325 299.3182 -161871.4200 -109429.1210 298.6799 -136.0139 -105.5930 759832.1544 -3.5924 -3.5658 PRESSURE: 4379800 -255.358 -191.042 -66.9156 -191.043 37.8666 110.356 -66.9156 110.356 -81.3922 GPRESSURE: 4379800 -200.553 -228.048 -113.76 -219.648 162.792 50.7041 -54.9672 131.595 -166.538 PRESSAVG: 4379800 53.1912 -68.7521 5.66054 -68.7521 -11.8969 2.24511 5.66048 2.24507 3.40445 GPRESSAVG: 4379800 52.0431 -67.1999 4.82416 -68.5592 -10.8747 2.98822 3.50487 2.55639 3.55054 TIMING: 4379800 CPU: 14158.2, 0.00318335/step Wall: 14158.2, 0.00318335/step, 0.548421 hours remaining, 235.023438 MB of memory in use. ENERGY: 4379800 3986.4859 20319.1878 14473.8605 245.2062 -203434.7619 2573.0722 0.0000 0.0000 51999.9366 -109837.0127 298.8444 -161836.9493 -109465.7964 298.9332 -99.6279 -68.0995 760039.2574 14.8996 14.9063 PRESSURE: 4380000 124.408 -4.76174 177.296 -4.76167 -127.892 121.876 177.296 121.877 -335.461 GPRESSURE: 4380000 219.12 -24.1851 186.993 -74.0262 -187.65 100.616 240.094 110.541 -281.225 PRESSAVG: 4380000 62.4115 -60.4121 -1.17803 -60.4121 -38.8335 -5.74807 -1.17802 -5.74808 0.689561 GPRESSAVG: 4380000 64.0684 -60.557 -1.44119 -59.8432 -39.7116 -6.83453 -0.546327 -5.02178 -0.285627 TIMING: 4380000 CPU: 14158.8, 0.00319266/step Wall: 14158.8, 0.00319266/step, 0.549847 hours remaining, 235.023438 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: 4380000 3919.3562 20432.7849 14506.6088 245.8089 -203568.8714 2501.2605 0.0000 0.0000 51950.2400 -110012.8121 298.5587 -161963.0520 -109640.1793 298.2658 -112.9815 -83.2517 760759.6756 8.0892 8.0238 PRESSURE: 4380200 -210.857 -231.628 -227.613 -231.629 362.236 -165.971 -227.613 -165.971 142.752 GPRESSURE: 4380200 -68.3265 -304.437 -298.436 -165.214 364.439 -104.974 -71.0909 -150.188 67.3187 PRESSAVG: 4380200 87.3202 -39.198 11.6373 -39.198 -70.2302 10.5929 11.6372 10.5929 -13.459 GPRESSAVG: 4380200 86.4018 -40.8569 11.9227 -36.103 -70.6724 11.9256 13.3942 9.29593 -12.0693 TIMING: 4380200 CPU: 14159.5, 0.00319714/step Wall: 14159.5, 0.00319714/step, 0.550441 hours remaining, 235.023438 MB of memory in use. ENERGY: 4380200 3993.1896 20527.1094 14403.9060 265.4685 -204092.5778 2937.4295 0.0000 0.0000 51894.7034 -110070.7714 298.2396 -161965.4748 -109708.7414 298.8518 98.0434 121.1437 759433.3881 1.2103 1.2200 LDB: ============= START OF LOAD BALANCING ============== 14171.9 LDB: ============== END OF LOAD BALANCING =============== 14171.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14171.9 LDB: ============= START OF LOAD BALANCING ============== 14172.2 LDB: Largest compute 7049 load 0.031725 is 16.2% of average load 0.195506 LDB: Average compute 0.004423 is 2.3% of average load 0.195506 LDB: TIME 14172.2 LOAD: AVG 0.195506 MAX 0.212661 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 14172.2 LOAD: AVG 0.195506 MAX 0.212661 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 14172.2 LOAD: AVG 0.195506 MAX 0.212661 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 14172.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14172.2 PRESSURE: 4380400 50.5415 67.2154 -6.74178 67.2136 -344.242 227.663 -6.74131 227.662 182.23 GPRESSURE: 4380400 138.508 154.693 30.0533 -103.009 -339.401 132.255 44.1477 262.625 189.42 PRESSAVG: 4380400 16.7515 -1.43206 42.4942 -1.43199 -10.539 -21.9937 42.4942 -21.9938 17.6478 GPRESSAVG: 4380400 16.2291 0.592259 42.9057 -3.52346 -9.64199 -21.3878 40.9766 -22.0578 17.4027 TIMING: 4380400 CPU: 14160.1, 0.00324782/step Wall: 14160.1, 0.00324782/step, 0.558986 hours remaining, 236.937500 MB of memory in use. ENERGY: 4380400 4020.3934 20289.9956 14488.2078 248.9178 -203816.1730 2610.9397 0.0000 0.0000 52066.3629 -110091.3558 299.2261 -162157.7187 -109726.9985 298.4313 -37.1567 -3.8244 758744.2470 7.9534 7.9966 PRESSURE: 4380600 -172.283 -12.633 37.6358 -12.632 243.983 -141.118 37.637 -141.118 -0.476998 GPRESSURE: 4380600 -112.704 -18.5695 15.8864 41.1248 246.029 -90.1851 -7.94904 -106.842 18.7786 PRESSAVG: 4380600 -18.9366 -48.0875 43.638 -48.0875 -9.81013 15.3357 43.6379 15.3358 29.2134 GPRESSAVG: 4380600 -18.1201 -47.9279 42.6989 -46.7634 -9.17042 15.2561 44.5818 16.8444 27.9744 TIMING: 4380600 CPU: 14160.8, 0.00316419/step Wall: 14160.8, 0.00316419/step, 0.544416 hours remaining, 237.007812 MB of memory in use. ENERGY: 4380600 3961.7571 20314.6870 14440.8345 247.2267 -203343.5837 2333.1886 0.0000 0.0000 52253.9672 -109791.9227 300.3043 -162045.8899 -109427.6029 298.6805 23.7409 50.7011 759892.3514 0.1556 0.2280 PRESSURE: 4380800 60.7265 -70.479 -81.3751 -70.4788 -358.137 163.604 -81.3756 163.605 -63.0514 GPRESSURE: 4380800 42.2719 -80.8589 -10.452 -87.5919 -236.37 213.668 -84.5909 129.657 -63.2144 PRESSAVG: 4380800 23.2062 -10.2356 53.9241 -10.2355 -28.9784 27.8212 53.9241 27.8212 -1.07872 GPRESSAVG: 4380800 22.7654 -12.2177 54.7795 -9.20828 -28.831 27.3095 53.6235 25.8628 -0.863042 TIMING: 4380800 CPU: 14161.4, 0.00316191/step Wall: 14161.4, 0.00316191/step, 0.543848 hours remaining, 237.007812 MB of memory in use. ENERGY: 4380800 3937.1797 20504.6729 14450.8646 238.8018 -203239.7917 2474.6081 0.0000 0.0000 51883.2125 -109750.4521 298.1735 -161633.6646 -109380.4300 299.0487 -120.1539 -85.7709 761482.8142 -2.2836 -2.3095 PRESSURE: 4381000 341.523 352.27 -9.66323 352.271 87.0058 41.4216 -9.66383 41.4218 160.533 GPRESSURE: 4381000 346.601 263.776 21.8495 373.31 107.667 -21.9818 -15.2006 30.3135 213.79 PRESSAVG: 4381000 -3.90712 24.3809 34.967 24.3808 -7.04237 8.50044 34.967 8.50042 -1.10955 GPRESSAVG: 4381000 -4.1607 23.9386 34.0125 22.9014 -7.22781 9.76599 32.8934 9.85589 -0.0979485 TIMING: 4381000 CPU: 14162, 0.00314537/step Wall: 14162, 0.00314537/step, 0.540829 hours remaining, 237.265625 MB of memory in use. ENERGY: 4381000 3929.2458 20427.4945 14415.3466 262.2126 -203376.3474 2487.1780 0.0000 0.0000 51905.3997 -109949.4702 298.3010 -161854.8699 -109588.0173 298.4789 196.3538 222.6857 759578.0395 -4.0197 -3.8288 PRESSURE: 4381200 45.7092 -166.648 -69.3524 -166.649 134.534 152.307 -69.3525 152.306 -58.152 GPRESSURE: 4381200 150.226 -263.073 -121.647 -119.197 166.181 120.624 8.16944 132.662 -99.0278 PRESSAVG: 4381200 41.698 49.1059 9.78948 49.1059 -33.558 9.38835 9.78939 9.38844 1.64598 GPRESSAVG: 4381200 41.6716 52.6952 9.24719 48.4436 -33.5975 8.86202 13.9411 7.61091 2.07253 TIMING: 4381200 CPU: 14162.6, 0.00315365/step Wall: 14162.6, 0.00315365/step, 0.542077 hours remaining, 237.277344 MB of memory in use. ENERGY: 4381200 3903.9274 20526.1817 14484.6061 238.2137 -203637.3015 2812.3277 0.0000 0.0000 51939.2666 -109732.7783 298.4957 -161672.0449 -109372.1641 298.2118 40.6972 72.4596 759383.7163 3.2620 3.3822 PRESSURE: 4381400 262.708 89.8343 90.017 89.8344 -33.5344 196.559 90.0171 196.558 -418.602 GPRESSURE: 4381400 327.258 66.6249 158.122 90.6729 25.4462 167.144 104.647 111.443 -466.913 PRESSAVG: 4381400 14.368 0.24105 44.5959 0.241074 -49.0446 0.0992135 44.5959 0.0993627 25.2297 GPRESSAVG: 4381400 16.2433 -1.89617 45.0074 0.771438 -49.4809 1.35409 44.16 1.05345 23.4096 TIMING: 4381400 CPU: 14163.3, 0.00314351/step Wall: 14163.3, 0.00314351/step, 0.54016 hours remaining, 237.277344 MB of memory in use. ENERGY: 4381400 4023.5461 20318.3150 14460.9853 238.6679 -203340.8476 2365.8678 0.0000 0.0000 52194.4966 -109738.9689 299.9625 -161933.4655 -109379.8091 298.6933 -63.1426 -38.0694 760391.8609 -3.1489 -3.2760 PRESSURE: 4381600 252.153 -201.834 56.2462 -201.835 -213.869 -184.343 56.2465 -184.342 249.496 GPRESSURE: 4381600 257.919 -265.997 -16.9525 -239.551 -73.6535 -61.74 28.9006 -126.036 172.86 PRESSAVG: 4381600 37.2183 -34.6576 6.3532 -34.6576 -29.9991 -12.7695 6.3532 -12.7694 8.73337 GPRESSAVG: 4381600 36.4395 -32.6501 8.76394 -35.8215 -30.2549 -13.205 3.71241 -12.4837 9.64277 TIMING: 4381600 CPU: 14163.9, 0.00312386/step Wall: 14163.9, 0.00312386/step, 0.53661 hours remaining, 237.277344 MB of memory in use. ENERGY: 4381600 3961.4188 20487.6868 14430.3128 239.9165 -203193.6611 2325.0426 0.0000 0.0000 51784.0471 -109965.2364 297.6036 -161749.2836 -109599.3614 298.3856 95.9268 119.0417 761140.4631 5.3175 5.2758 PRESSURE: 4381800 69.0367 -135.759 -28.5972 -135.759 -32.7293 -10.9484 -28.5973 -10.9491 -6.21909 GPRESSURE: 4381800 81.4684 -69.4155 29.1805 -144.293 21.0474 56.9525 -97.6543 -66.9586 4.46064 PRESSAVG: 4381800 -15.6737 -117.928 44.3255 -117.928 -9.23302 13.3091 44.3254 13.3091 -2.33774 GPRESSAVG: 4381800 -15.7278 -120.476 42.1171 -116.779 -9.52392 13.8537 44.5603 13.0217 -2.24686 TIMING: 4381800 CPU: 14164.5, 0.00313977/step Wall: 14164.5, 0.00313977/step, 0.539168 hours remaining, 237.277344 MB of memory in use. ENERGY: 4381800 3994.0780 20474.6648 14574.3919 242.1001 -203045.3591 2214.0789 0.0000 0.0000 51813.4900 -109732.5554 297.7728 -161546.0454 -109364.9503 298.1270 10.0294 35.6588 760731.5227 -9.0815 -9.1662 PRESSURE: 4382000 458.777 -400.373 -92.4648 -400.373 629.077 -16.2288 -92.4653 -16.2293 414.946 GPRESSURE: 4382000 516.391 -409.262 -173.421 -297.591 678.511 23.2684 -55.1934 26.5972 386.647 PRESSAVG: 4382000 -2.42417 -55.9112 0.358968 -55.9111 8.21823 23.9415 0.359046 23.9415 3.40941 GPRESSAVG: 4382000 -2.78508 -54.2489 -0.238084 -55.9253 7.57359 23.4799 1.67343 23.9629 3.78114 TIMING: 4382000 CPU: 14165.2, 0.00313441/step Wall: 14165.2, 0.00313441/step, 0.538073 hours remaining, 237.277344 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: 4382000 3894.7655 20571.3372 14477.9076 249.9720 -203501.9010 2753.2367 0.0000 0.0000 52068.3031 -109486.3789 299.2373 -161554.6821 -109128.8791 299.1094 500.9334 527.1829 760422.1227 3.0678 2.8566 PRESSURE: 4382200 -51.8529 71.9698 266.7 71.9701 160.746 217.77 266.7 217.77 219.632 GPRESSURE: 4382200 -136.053 9.08116 333.518 -77.302 269.828 183.943 88.3399 230.883 282.04 PRESSAVG: 4382200 -12.617 -43.3184 33.5584 -43.3185 -0.704804 20.2342 33.5585 20.2343 -13.524 GPRESSAVG: 4382200 -13.5421 -44.2165 34.7458 -42.9776 1.00164 18.9368 32.1219 19.981 -14.4132 TIMING: 4382200 CPU: 14165.8, 0.00315286/step Wall: 14165.8, 0.00315286/step, 0.541065 hours remaining, 237.277344 MB of memory in use. ENERGY: 4382200 3943.4146 20511.8292 14440.8011 242.8414 -203819.6115 2899.8976 0.0000 0.0000 52235.0996 -109545.7281 300.1958 -161780.8277 -109182.4356 299.4817 109.5085 138.6046 758412.0102 -8.9486 -8.9846 PRESSURE: 4382400 97.3719 -79.5249 95.2483 -79.5251 -219.715 339.623 95.2482 339.623 -180.042 GPRESSURE: 4382400 176.217 112.685 71.628 18.2714 -208.801 278.882 185.469 387.797 -191.14 PRESSAVG: 4382400 25.967 -40.688 16.6988 -40.6879 -38.5648 54.4171 16.6988 54.4171 -1.77872 GPRESSAVG: 4382400 27.3326 -38.7389 17.2787 -39.6698 -38.8078 55.0929 16.7468 55.2683 -2.97041 TIMING: 4382400 CPU: 14166.4, 0.00314434/step Wall: 14166.4, 0.00314434/step, 0.539429 hours remaining, 237.277344 MB of memory in use. ENERGY: 4382400 3962.0989 20542.5400 14419.6803 244.6489 -203401.3096 2559.5794 0.0000 0.0000 52100.8684 -109571.8937 299.4244 -161672.7622 -109194.5367 299.6616 -100.7949 -74.5746 762323.9218 -4.7922 -4.8152 PRESSURE: 4382600 106.374 -46.1068 30.1209 -46.1062 -143.23 -214.893 30.1206 -214.894 -236.205 GPRESSURE: 4382600 222.826 -151.473 -5.06938 -31.4017 -211.081 -217.108 56.9084 -166.244 -198.083 PRESSAVG: 4382600 15.5821 -19.6778 29.9854 -19.6778 -42.062 70.6169 29.9854 70.6168 9.04075 GPRESSAVG: 4382600 14.8642 -21.9882 27.2264 -19.0083 -43.342 70.8043 31.0739 70.0584 10.3691 TIMING: 4382600 CPU: 14167, 0.00313505/step Wall: 14167, 0.00313505/step, 0.537662 hours remaining, 237.277344 MB of memory in use. ENERGY: 4382600 3979.9060 20607.6959 14500.8504 222.0686 -203290.2144 2453.0320 0.0000 0.0000 52069.7689 -109456.8925 299.2457 -161526.6615 -109099.7108 299.1973 -91.0200 -62.1127 759855.7601 -5.8130 -6.0362 PRESSURE: 4382800 -11.7347 -169.012 98.4754 -169.012 79.8382 -35.642 98.4759 -35.6418 183.225 GPRESSURE: 4382800 128.599 -183.355 95.8472 -128.026 28.0338 -10.4774 74.5237 -15.8503 178.643 PRESSAVG: 4382800 85.2179 -29.166 78.939 -29.1661 -57.7747 60.3459 78.939 60.3459 -11.9692 GPRESSAVG: 4382800 85.9928 -26.625 80.8772 -29.4129 -57.3247 61.1835 77.1157 59.4209 -13.0736 TIMING: 4382800 CPU: 14167.7, 0.00314756/step Wall: 14167.7, 0.00314756/step, 0.539632 hours remaining, 237.277344 MB of memory in use. ENERGY: 4382800 3947.4638 20687.3362 14474.9978 252.6573 -203369.4720 2619.8393 0.0000 0.0000 51996.6788 -109390.4988 298.8256 -161387.1775 -109026.7588 300.0891 83.7762 111.7587 759517.1106 5.1580 5.1982 PRESSURE: 4383000 386.194 33.6034 -65.6722 33.6035 -189.473 -175.243 -65.6733 -175.243 -235.739 GPRESSURE: 4383000 463.43 72.5576 -106.237 85.4273 -212.651 -188.812 150.486 -110.773 -208.697 PRESSAVG: 4383000 52.181 -14.1718 20.2361 -14.1718 -32.6237 -15.1263 20.2361 -15.1263 -5.85694 GPRESSAVG: 4383000 51.9553 -15.389 18.6513 -15.2181 -32.8732 -16.8042 22.6174 -13.1112 -4.98586 TIMING: 4383000 CPU: 14168.3, 0.00317291/step Wall: 14168.3, 0.00317291/step, 0.543801 hours remaining, 237.277344 MB of memory in use. ENERGY: 4383000 4074.5547 20608.1152 14413.1585 274.1878 -203624.3033 2603.6141 0.0000 0.0000 52178.8111 -109471.8618 299.8723 -161650.6729 -109103.6745 299.8207 -13.0058 14.0274 759039.7432 4.5668 4.6987 PRESSURE: 4383200 215.158 -53.4829 441.766 -53.483 -60.9884 125.975 441.765 125.975 470.605 GPRESSURE: 4383200 294.034 -48.0477 513.721 -64.1561 -78.89 205.342 203.017 -45.9655 504.017 PRESSAVG: 4383200 22.5187 -62.7299 47.4443 -62.7299 -17.6216 -0.124862 47.4444 -0.124888 7.75776 GPRESSAVG: 4383200 23.3744 -61.8306 48.4763 -63.699 -18.5453 0.854063 47.5569 -0.485583 7.36949 TIMING: 4383200 CPU: 14168.9, 0.00314679/step Wall: 14168.9, 0.00314679/step, 0.539149 hours remaining, 237.277344 MB of memory in use. ENERGY: 4383200 3983.4629 20508.4419 14435.1113 236.1083 -203147.9642 2378.4242 0.0000 0.0000 52130.0197 -109476.3959 299.5919 -161606.4155 -109120.1289 299.6567 208.2583 239.7201 759766.1646 4.2183 4.0662 PRESSURE: 4383400 199.769 -51.78 161.729 -51.7797 -625.28 126.703 161.73 126.703 -421.951 GPRESSURE: 4383400 185.619 13.4926 142.877 -66.5735 -580.665 81.0389 136.714 147.971 -369.185 PRESSAVG: 4383400 56.8828 -20.577 44.8264 -20.577 -66.5685 5.25859 44.8264 5.25861 5.78268 GPRESSAVG: 4383400 55.9057 -22.1293 45.5564 -19.743 -65.2441 3.54778 41.8956 5.47839 5.97196 TIMING: 4383400 CPU: 14169.6, 0.00314191/step Wall: 14169.6, 0.00314191/step, 0.538139 hours remaining, 237.277344 MB of memory in use. ENERGY: 4383400 3940.8182 20720.4176 14436.2756 237.6083 -203200.2924 2383.6665 0.0000 0.0000 51957.7051 -109523.8012 298.6016 -161481.5063 -109166.5852 299.5753 -282.4874 -254.7438 760628.4139 -1.3010 -1.1222 PRESSURE: 4383600 -83.5583 -19.4602 83.2648 -19.461 -153.737 -130.215 83.2654 -130.214 -253.024 GPRESSURE: 4383600 -91.2671 -59.9276 29.3135 14.5914 -128.393 -65.7474 255.514 -230.382 -211.176 PRESSAVG: 4383600 57.2257 -0.840787 26.814 -0.840755 -44.236 44.7234 26.8139 44.7234 5.95367 GPRESSAVG: 4383600 57.5453 1.87566 25.0287 -2.57288 -44.4598 45.1559 29.5938 45.6041 6.0377 TIMING: 4383600 CPU: 14170.2, 0.00314269/step Wall: 14170.2, 0.00314269/step, 0.538099 hours remaining, 237.277344 MB of memory in use. ENERGY: 4383600 4067.8997 20579.1849 14408.6783 244.0625 -203190.1107 2274.0348 0.0000 0.0000 52070.9501 -109545.3004 299.2525 -161616.2506 -109174.3867 300.0078 -163.4397 -143.6117 760064.9917 6.3145 6.3744 PRESSURE: 4383800 -111.449 -184.494 12.64 -184.494 -53.8203 98.2003 12.6397 98.2 -222.565 GPRESSURE: 4383800 -133.155 -17.1198 87.7146 -119.397 42.605 136.771 -107.785 115.779 -195.654 PRESSAVG: 4383800 49.5106 -24.2309 28.202 -24.2309 -46.234 23.907 28.202 23.907 -17.656 GPRESSAVG: 4383800 49.3087 -24.9371 29.5608 -22.8473 -45.58 25.3035 26.8131 23.3441 -17.7875 TIMING: 4383800 CPU: 14170.8, 0.00312434/step Wall: 14170.8, 0.00312434/step, 0.534784 hours remaining, 237.277344 MB of memory in use. ENERGY: 4383800 3935.4037 20492.9427 14444.7883 241.3201 -203141.2316 2422.9403 0.0000 0.0000 51956.8416 -109646.9949 298.5967 -161603.8365 -109281.4359 299.5249 -129.2783 -95.4013 760589.7922 -4.7932 -4.6862 PRESSURE: 4384000 141.685 -189.95 -230.351 -189.951 50.484 -34.7144 -230.352 -34.7138 82.0573 GPRESSURE: 4384000 223.078 -239.528 -205.543 -219.442 23.8973 28.5314 -192.309 -232.692 128.744 PRESSAVG: 4384000 67.2465 -53.0125 -25.3816 -53.0125 -68.4554 31.3858 -25.3816 31.3858 1.28342 GPRESSAVG: 4384000 66.7296 -52.7654 -27.2383 -52.9449 -68.6837 31.3565 -24.0024 29.3497 2.72483 TIMING: 4384000 CPU: 14171.4, 0.00313294/step Wall: 14171.4, 0.00313294/step, 0.536081 hours remaining, 237.277344 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: 4384000 3912.1040 20582.2638 14473.1654 239.8043 -203785.8652 2831.3140 0.0000 0.0000 51805.9632 -109941.2506 297.7296 -161747.2139 -109583.6028 298.7047 91.4087 125.2399 759819.9433 0.0248 0.2569 PRESSURE: 4384200 155.596 84.4946 85.7978 84.4953 279.859 -123.681 85.7987 -123.683 275.346 GPRESSURE: 4384200 230.859 123.265 98.2711 64.2782 274.943 -94.8562 -7.14904 -147.011 301.014 PRESSAVG: 4384200 93.9281 -26.551 -39.7177 -26.5509 -71.8597 7.02153 -39.7177 7.02151 13.457 GPRESSAVG: 4384200 94.1842 -26.0529 -38.3188 -27.7036 -69.992 8.20279 -42.9245 7.20078 11.5989 TIMING: 4384200 CPU: 14172.1, 0.00312229/step Wall: 14172.1, 0.00312229/step, 0.534086 hours remaining, 237.277344 MB of memory in use. ENERGY: 4384200 3879.3189 20256.3386 14458.5576 238.6689 -204179.6431 3041.8182 0.0000 0.0000 52213.7802 -110091.1608 300.0733 -162304.9410 -109722.1056 298.3606 236.9335 268.9384 758727.2774 11.8418 11.9303 LDB: ============= START OF LOAD BALANCING ============== 14184.5 LDB: ============== END OF LOAD BALANCING =============== 14184.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14184.5 LDB: ============= START OF LOAD BALANCING ============== 14184.8 LDB: Largest compute 7025 load 0.031165 is 15.9% of average load 0.195595 LDB: Average compute 0.004391 is 2.2% of average load 0.195595 LDB: TIME 14184.8 LOAD: AVG 0.195595 MAX 0.210932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 14184.8 LOAD: AVG 0.195595 MAX 0.210932 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: TIME 14184.8 LOAD: AVG 0.195595 MAX 0.210932 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: ============== END OF LOAD BALANCING =============== 14184.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14184.8 PRESSURE: 4384400 -83.8672 108.931 -167.166 108.931 -59.9789 102.238 -167.166 102.238 380.935 GPRESSURE: 4384400 -9.75555 186.407 -172.357 236.724 -31.1651 144.893 -144.636 158.993 360.918 PRESSAVG: 4384400 78.6575 9.161 -11.9486 9.16105 -52.0567 14.9183 -11.9486 14.9182 13.4306 GPRESSAVG: 4384400 79.4278 9.73699 -11.9237 7.70434 -52.8987 13.3839 -10.6988 14.5239 13.4794 TIMING: 4384400 CPU: 14172.7, 0.0032037/step Wall: 14172.7, 0.0032037/step, 0.547832 hours remaining, 235.968750 MB of memory in use. ENERGY: 4384400 3972.2298 20521.0115 14520.3242 238.3859 -203732.0213 2665.6616 0.0000 0.0000 51896.7847 -109917.6236 298.2515 -161814.4083 -109553.3951 298.4947 79.0296 106.6656 758575.8306 13.3438 13.3361 PRESSURE: 4384600 -180.255 -49.3784 98.9236 -49.3795 14.5308 159.267 98.9243 159.267 2.53631 GPRESSURE: 4384600 -193.46 15.9493 101.039 -60.9139 88.3226 73.7463 35.2335 133.185 15.335 PRESSAVG: 4384600 24.9133 6.26666 7.03991 6.26661 -9.04957 21.1543 7.03992 21.1543 4.82122 GPRESSAVG: 4384600 24.4209 6.28337 7.68638 7.58904 -10.0536 22.1295 6.82513 22.8555 5.66216 TIMING: 4384600 CPU: 14173.3, 0.00311851/step Wall: 14173.3, 0.00311851/step, 0.533092 hours remaining, 235.968750 MB of memory in use. ENERGY: 4384600 4015.6324 20621.8327 14492.9010 261.0115 -203228.3487 2271.8332 0.0000 0.0000 51993.2236 -109571.9144 298.8058 -161565.1379 -109212.9714 298.8253 -54.3959 -29.9342 760470.4406 6.8950 6.6765 PRESSURE: 4384800 206.288 32.6829 54.7682 32.6822 -242.643 -19.2644 54.7689 -19.2646 358.053 GPRESSURE: 4384800 171.97 -85.7242 -2.4756 43.0183 -38.0887 20.3521 44.2004 -65.6594 299.212 PRESSAVG: 4384800 57.0674 -12.3584 16.3805 -12.3585 2.04552 13.1317 16.3805 13.1317 -5.73095 GPRESSAVG: 4384800 57.1297 -12.6917 14.4946 -10.9622 2.47812 12.5678 16.1444 13.0244 -5.90729 TIMING: 4384800 CPU: 14174, 0.00312911/step Wall: 14174, 0.00312911/step, 0.53473 hours remaining, 236.226562 MB of memory in use. ENERGY: 4384800 3981.0292 20583.4208 14535.1382 267.5240 -203289.0094 2399.5183 0.0000 0.0000 51822.3360 -109700.0428 297.8237 -161522.3788 -109331.3668 299.2752 107.2328 144.3644 760603.3146 17.7940 17.9002 PRESSURE: 4385000 267.109 54.9735 -182.654 54.9728 -231.554 124.962 -182.655 124.961 -86.0075 GPRESSURE: 4385000 406.306 -91.903 -199.385 29.7733 -242.142 99.1817 -137.25 209.93 -108.975 PRESSAVG: 4385000 13.5725 39.1374 9.87855 39.1374 -31.6046 38.1984 9.87854 38.1984 23.9254 GPRESSAVG: 4385000 12.8457 37.5826 10.1166 36.6558 -30.9888 37.7092 12.0398 39.1234 23.3819 TIMING: 4385000 CPU: 14174.6, 0.0031312/step Wall: 14174.6, 0.0031312/step, 0.534912 hours remaining, 236.226562 MB of memory in use. ENERGY: 4385000 3950.7508 20483.6636 14532.3442 247.1627 -203773.7919 2639.5586 0.0000 0.0000 52137.5638 -109782.7483 299.6353 -161920.3121 -109421.9724 299.5179 -16.8177 18.3965 759321.3449 1.9645 1.7463 PRESSURE: 4385200 210.19 -55.5576 -81.7569 -55.5571 -247.547 -71.9318 -81.7565 -71.9313 -69.1601 GPRESSURE: 4385200 161.299 -62.0126 -134.151 -126.176 -225.226 -79.451 -111.428 -62.7039 48.0209 PRESSAVG: 4385200 87.9461 -30.0655 -3.4081 -30.0655 -113.085 40.9475 -3.40808 40.9475 0.0356708 GPRESSAVG: 4385200 88.8289 -30.3572 -3.60287 -28.5233 -113.833 41.6742 -4.21007 39.3469 0.220545 TIMING: 4385200 CPU: 14175.2, 0.00314898/step Wall: 14175.2, 0.00314898/step, 0.537775 hours remaining, 236.226562 MB of memory in use. ENERGY: 4385200 3981.1796 20480.7988 14492.6804 257.2489 -203711.7866 2579.1448 0.0000 0.0000 52015.0178 -109905.7163 298.9310 -161920.7341 -109541.9967 298.9233 -35.5060 -5.3019 759169.9351 -8.3676 -8.2612 PRESSURE: 4385400 96.3441 109.116 53.0181 109.116 -258.836 271.619 53.0182 271.618 236.659 GPRESSURE: 4385400 133.919 91.849 69.7836 9.82023 -151.759 220.366 -60.071 261.102 158.068 PRESSAVG: 4385400 25.9641 -28.5484 -21.8925 -28.5484 -34.8971 0.958114 -21.8925 0.958109 -29.9787 GPRESSAVG: 4385400 26.0128 -26.5862 -20.2344 -29.8974 -35.4714 0.244268 -24.2739 1.10822 -29.4322 TIMING: 4385400 CPU: 14175.8, 0.00315268/step Wall: 14175.8, 0.00315268/step, 0.538232 hours remaining, 236.226562 MB of memory in use. ENERGY: 4385400 3907.4866 20490.6042 14447.0758 257.6431 -203973.5064 2752.7862 0.0000 0.0000 52173.8930 -109944.0174 299.8441 -162117.9104 -109570.9812 299.0291 24.7224 46.7430 760020.6606 -12.9706 -12.9636 PRESSURE: 4385600 -197.353 -42.1906 -130.962 -42.1915 -172.397 98.5251 -130.961 98.5255 148.962 GPRESSURE: 4385600 -99.8023 19.6001 -124.778 -61.6964 -157.739 66.0655 -79.3607 244.542 132.484 PRESSAVG: 4385600 6.24771 -23.5998 -50.6473 -23.5998 -25.4619 7.84262 -50.6474 7.8427 7.1421 GPRESSAVG: 4385600 5.05103 -23.6997 -51.4393 -23.0148 -24.0746 6.76931 -48.7294 7.85978 6.57555 TIMING: 4385600 CPU: 14176.5, 0.00311925/step Wall: 14176.5, 0.00311925/step, 0.532352 hours remaining, 236.226562 MB of memory in use. ENERGY: 4385600 3917.4641 20550.0339 14424.2001 256.9825 -203560.1652 2594.7503 0.0000 0.0000 51891.6192 -109925.1152 298.2218 -161816.7344 -109575.2830 298.9387 -73.5959 -41.6856 760815.1643 -4.0240 -4.1494 PRESSURE: 4385800 -24.8499 -185.229 171.055 -185.228 53.107 190.344 171.055 190.342 -62.7903 GPRESSURE: 4385800 12.1327 -232.426 95.0757 -79.1081 124.013 256.401 221.141 240.406 -84.0246 PRESSAVG: 4385800 -15.5461 29.7725 -7.76731 29.7725 -9.78289 54.9857 -7.76731 54.9857 -16.1851 GPRESSAVG: 4385800 -15.0085 29.6827 -7.65303 29.1741 -10.1593 54.6403 -8.31427 56.14 -15.9636 TIMING: 4385800 CPU: 14177.1, 0.0031159/step Wall: 14177.1, 0.0031159/step, 0.531607 hours remaining, 236.226562 MB of memory in use. ENERGY: 4385800 3945.0323 20628.1167 14467.2941 229.7865 -204058.8563 2920.7331 0.0000 0.0000 52128.6330 -109739.2606 299.5840 -161867.8937 -109374.6822 298.3218 -11.5111 17.3738 759814.8283 -13.8380 -13.7104 PRESSURE: 4386000 -10.9534 -8.92788 147.511 -8.92794 49.577 4.86632 147.512 4.86594 392.109 GPRESSURE: 4386000 -0.426708 70.3797 143.999 -55.9789 124.637 -4.46234 235.705 -123.938 367.846 PRESSAVG: 4386000 1.0686 -7.44784 18.1578 -7.44782 1.3592 20.521 18.1578 20.5209 16.7976 GPRESSAVG: 4386000 1.25054 -5.54846 18.2184 -6.88763 0.601523 19.7556 18.8733 20.6284 17.3996 TIMING: 4386000 CPU: 14177.7, 0.00312373/step Wall: 14177.7, 0.00312373/step, 0.532769 hours remaining, 236.226562 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: 4386000 3914.0487 20578.3890 14484.8682 248.9771 -203484.5098 2599.1223 0.0000 0.0000 52015.4898 -109643.6148 298.9337 -161659.1045 -109284.8739 299.4685 143.5774 164.0188 761077.8276 6.4085 6.4172 PRESSURE: 4386200 -211.524 25.469 90.1219 25.4676 171.379 243.556 90.1218 243.555 311.744 GPRESSURE: 4386200 -127.104 73.0415 -57.4017 -111.45 187.785 124.968 122.795 194.675 297.106 PRESSAVG: 4386200 -44.9228 -42.4151 -41.2378 -42.4152 80.1469 28.2843 -41.2378 28.2843 8.78638 GPRESSAVG: 4386200 -47.1624 -43.5112 -41.439 -41.7192 81.4229 29.4545 -39.6126 26.2794 9.73164 TIMING: 4386200 CPU: 14178.3, 0.00314345/step Wall: 14178.3, 0.00314345/step, 0.535958 hours remaining, 236.226562 MB of memory in use. ENERGY: 4386200 3919.9804 20451.9660 14444.2096 266.3049 -203121.6479 2312.8355 0.0000 0.0000 51958.1876 -109768.1639 298.6044 -161726.3515 -109406.9104 299.3811 90.5329 119.2622 760702.8882 14.6702 14.6640 PRESSURE: 4386400 1.61967 1.3406 -110.699 1.34 -141.249 278.053 -110.699 278.054 99.3538 GPRESSURE: 4386400 23.7431 60.2026 -77.0775 158.943 -105.333 229.035 -129.085 305.136 118.679 PRESSAVG: 4386400 -66.4441 -36.3522 -76.1708 -36.3523 29.1208 11.411 -76.1708 11.411 -17.7592 GPRESSAVG: 4386400 -66.5588 -36.6159 -77.2821 -36.0357 29.3129 11.3916 -77.3096 9.66607 -18.02 TIMING: 4386400 CPU: 14179, 0.00312841/step Wall: 14179, 0.00312841/step, 0.53322 hours remaining, 236.226562 MB of memory in use. ENERGY: 4386400 3995.7853 20437.7952 14442.9055 254.1622 -203478.3347 2406.6971 0.0000 0.0000 52001.2159 -109939.7735 298.8517 -161940.9895 -109578.2272 299.1633 -13.4251 12.3631 761001.5027 -18.3609 -18.4220 PRESSURE: 4386600 133.654 -3.14871 -124.647 -3.1479 -20.8415 -108.703 -124.646 -108.703 321.264 GPRESSURE: 4386600 237.631 32.6652 -81.9837 45.4016 21.3042 -70.9962 -51.5208 -159.743 280.687 PRESSAVG: 4386600 44.252 18.7278 -10.0086 18.7278 -29.1375 32.7261 -10.0086 32.7261 -8.43222 GPRESSAVG: 4386600 46.0797 16.3793 -9.3529 19.5601 -30.6649 31.7306 -9.05871 36.3598 -8.61299 TIMING: 4386600 CPU: 14179.6, 0.00312588/step Wall: 14179.6, 0.00312588/step, 0.532615 hours remaining, 236.226562 MB of memory in use. ENERGY: 4386600 3988.7495 20611.0446 14492.3957 240.8068 -203648.3808 2591.7971 0.0000 0.0000 51760.8838 -109962.7032 297.4705 -161723.5871 -109599.0739 298.5125 144.6919 179.8740 760002.3175 2.2274 2.2673 PRESSURE: 4386800 -124.005 210.375 153.081 210.375 -237.072 95.0873 153.081 95.0878 124.515 GPRESSURE: 4386800 -239.254 62.9319 127.302 230.665 -102.288 -23.6245 189.345 60.8933 201.932 PRESSAVG: 4386800 7.56049 46.6439 61.7367 46.6439 0.0361155 3.97502 61.7368 3.97501 21.0248 GPRESSAVG: 4386800 5.50259 49.6324 61.1139 44.7704 2.82678 4.46026 61.4357 3.46588 20.3626 TIMING: 4386800 CPU: 14180.2, 0.00312381/step Wall: 14180.2, 0.00312381/step, 0.532089 hours remaining, 236.226562 MB of memory in use. ENERGY: 4386800 4045.8878 20578.0502 14346.0693 239.4313 -203821.0130 2617.0048 0.0000 0.0000 52012.1857 -109982.3839 298.9147 -161994.5696 -109619.5773 298.5337 -78.8537 -46.5366 761277.5534 9.5405 9.5640 PRESSURE: 4387000 12.9984 -20.5135 -125.383 -20.5135 282.057 -156.63 -125.384 -156.629 -16.4296 GPRESSURE: 4387000 97.4094 -5.71946 -130.215 -64.7928 232.431 -90.645 -87.8192 -121.583 24.3308 PRESSAVG: 4387000 24.3091 -3.54686 50.7782 -3.54697 1.45357 49.6676 50.7781 49.6677 -5.83701 GPRESSAVG: 4387000 25.7344 -2.62991 51.035 -5.48469 -0.412025 48.621 50.945 48.6257 -4.85682 TIMING: 4387000 CPU: 14180.8, 0.00313205/step Wall: 14180.8, 0.00313205/step, 0.533319 hours remaining, 236.226562 MB of memory in use. ENERGY: 4387000 4011.4998 20498.7727 14382.8699 226.3266 -203541.5127 2535.8667 0.0000 0.0000 51899.4257 -109986.7513 298.2667 -161886.1770 -109629.6923 298.7228 92.8754 118.0572 761247.5870 6.6419 6.8218 PRESSURE: 4387200 -302.12 46.6926 -25.6289 46.6923 -345.532 1.07139 -25.6294 1.07155 -402.451 GPRESSURE: 4387200 -190.984 12.1558 -61.2826 43.0783 -326.993 -70.3074 -86.5476 118.695 -440.926 PRESSAVG: 4387200 30.8705 -43.9086 47.1589 -43.9086 -32.3566 6.43478 47.1589 6.43475 1.83972 GPRESSAVG: 4387200 31.6433 -46.7887 47.0136 -41.37 -33.3738 7.18839 46.3843 7.81744 1.2296 TIMING: 4387200 CPU: 14181.5, 0.00312615/step Wall: 14181.5, 0.00312615/step, 0.532141 hours remaining, 236.226562 MB of memory in use. ENERGY: 4387200 4068.5553 20583.9707 14461.6754 235.8966 -203476.1932 2284.4733 0.0000 0.0000 51699.1820 -110142.4400 297.1159 -161841.6220 -109777.5234 298.0418 -350.0347 -319.6343 761142.7644 0.1179 -0.1670 PRESSURE: 4387400 6.39553 -79.2592 -43.8459 -79.259 -33.0589 -131.828 -43.845 -131.828 36.08 GPRESSURE: 4387400 95.1719 -145.835 9.48288 -88.7911 -74.3461 -125.524 -95.4859 -146.302 67.5483 PRESSAVG: 4387400 25.7339 -9.81441 32.2006 -9.8145 -28.5078 42.5168 32.2006 42.5169 1.30468 GPRESSAVG: 4387400 24.5367 -10.2571 31.6839 -9.82221 -28.357 42.9285 32.0508 39.9995 2.53277 TIMING: 4387400 CPU: 14182.1, 0.0031502/step Wall: 14182.1, 0.0031502/step, 0.536059 hours remaining, 236.226562 MB of memory in use. ENERGY: 4387400 4049.0876 20461.4949 14458.6853 262.7118 -203695.3883 2649.4651 0.0000 0.0000 51867.0041 -109946.9395 298.0804 -161813.9436 -109585.7657 298.1287 3.1389 29.4581 760247.0150 -0.4897 -0.4292 PRESSURE: 4387600 -210.87 26.3642 -56.7031 26.3644 -324.265 -48.7307 -56.7034 -48.7301 76.4735 GPRESSURE: 4387600 -109.602 -116.731 -45.9462 -2.97136 -283.209 -18.3303 -52.8069 14.9558 21.8819 PRESSAVG: 4387600 60.3686 27.0589 -2.00057 27.0589 -69.0483 -45.3969 -2.00058 -45.397 -11.0836 GPRESSAVG: 4387600 59.9101 28.9118 -1.90302 25.9314 -68.4643 -45.4338 -1.24128 -43.7259 -11.7151 TIMING: 4387600 CPU: 14182.7, 0.003123/step Wall: 14182.7, 0.003123/step, 0.531257 hours remaining, 236.226562 MB of memory in use. ENERGY: 4387600 3970.1880 20573.7047 14468.6373 240.2923 -203595.9059 2430.2240 0.0000 0.0000 52116.7227 -109796.1369 299.5155 -161912.8596 -109436.7421 298.5324 -152.8870 -123.6428 760301.2047 -6.5878 -6.7564 PRESSURE: 4387800 -268.732 -76.9031 96.1216 -76.9029 -130.309 -77.4922 96.1214 -77.4914 27.183 GPRESSURE: 4387800 -295.621 -10.351 33.9932 -144.471 -39.7703 -66.7275 167.284 -41.9881 21.569 PRESSAVG: 4387800 -19.5486 -29.0837 17.0045 -29.0838 -33.9855 38.6135 17.0044 38.6136 -7.15271 GPRESSAVG: 4387800 -19.8587 -28.5665 16.4801 -27.943 -34.9771 38.3243 16.1665 37.9282 -6.21839 TIMING: 4387800 CPU: 14183.4, 0.00311422/step Wall: 14183.4, 0.00311422/step, 0.529591 hours remaining, 236.226562 MB of memory in use. ENERGY: 4387800 3978.6371 20568.7570 14481.0336 241.4019 -203673.6876 2476.5847 0.0000 0.0000 52039.0917 -109888.1817 299.0694 -161927.2733 -109527.1724 298.3733 -123.9527 -104.6073 760909.0163 -20.2290 -20.3514 PRESSURE: 4388000 -395.994 27.8323 -81.6756 27.8327 -336.975 -48.2508 -81.6762 -48.2499 -297.745 GPRESSURE: 4388000 -345.003 -3.0816 -24.3585 62.1194 -388.171 -177.827 -65.3018 -89.0265 -225.802 PRESSAVG: 4388000 -30.1333 -29.3571 51.6666 -29.3571 37.0522 1.47315 51.6666 1.47316 20.3322 GPRESSAVG: 4388000 -31.6173 -26.9331 52.6501 -31.8996 37.3874 0.891695 52.3734 0.713608 21.3752 TIMING: 4388000 CPU: 14184, 0.00313416/step Wall: 14184, 0.00313416/step, 0.532807 hours remaining, 236.226562 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: 4388000 3954.9611 20553.5199 14452.2729 243.9956 -202959.5374 2228.2345 0.0000 0.0000 51585.7028 -109940.8505 296.4637 -161526.5534 -109581.7829 298.2314 -343.5713 -319.6586 762163.3546 9.0837 9.0484 PRESSURE: 4388200 -27.4159 -198.871 -196.586 -198.871 -220.388 -44.791 -196.586 -44.7908 -13.2268 GPRESSURE: 4388200 18.6127 -69.4055 -117.712 -243.206 -135.493 42.1086 -233.43 -93.688 -63.609 PRESSAVG: 4388200 15.472 11.5291 16.3926 11.529 -14.4333 -23.2808 16.3926 -23.2808 0.820163 GPRESSAVG: 4388200 16.6269 8.55479 16.9087 13.8076 -13.954 -22.288 16.3373 -21.4323 -0.390642 TIMING: 4388200 CPU: 14184.6, 0.00315298/step Wall: 14184.6, 0.00315298/step, 0.535832 hours remaining, 236.226562 MB of memory in use. ENERGY: 4388200 3973.4896 20254.6951 14443.9600 243.0678 -203488.3161 2634.5133 0.0000 0.0000 51719.8391 -110218.7512 297.2346 -161938.5903 -109849.1642 297.6387 -87.0103 -60.1632 761385.1160 0.6196 0.7607 LDB: ============= START OF LOAD BALANCING ============== 14197 LDB: ============== END OF LOAD BALANCING =============== 14197 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14197 LDB: ============= START OF LOAD BALANCING ============== 14197.3 LDB: Largest compute 7025 load 0.031814 is 16.3% of average load 0.195483 LDB: Average compute 0.004402 is 2.3% of average load 0.195483 LDB: TIME 14197.3 LOAD: AVG 0.195483 MAX 0.212943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 14197.4 LOAD: AVG 0.195483 MAX 0.212943 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 14197.4 LOAD: AVG 0.195483 MAX 0.212943 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 14197.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14197.4 PRESSURE: 4388400 -271.392 -23.7821 90.6077 -23.7833 324.864 -26.915 90.6074 -26.9139 -342.559 GPRESSURE: 4388400 -295.908 -40.4539 65.6625 10.9137 356.55 1.98316 153.915 -27.3382 -278.808 PRESSAVG: 4388400 -37.3882 19.636 82.7942 19.6361 81.8157 9.13053 82.7941 9.1305 35.3569 GPRESSAVG: 4388400 -37.4496 20.2461 81.5033 18.8991 82.3942 8.52355 81.5346 7.90654 35.0036 TIMING: 4388400 CPU: 14185.3, 0.00320668/step Wall: 14185.3, 0.00320668/step, 0.54478 hours remaining, 235.394531 MB of memory in use. ENERGY: 4388400 3989.4924 20334.8904 14487.1606 243.4495 -203295.7357 2411.7653 0.0000 0.0000 51787.5466 -110041.4308 297.6237 -161828.9774 -109685.2122 297.6633 -96.3621 -72.7220 760812.6953 26.5948 26.6494 PRESSURE: 4388600 -93.8838 -128.653 -80.1933 -128.654 270.268 75.0521 -80.1944 75.0523 -356.101 GPRESSURE: 4388600 -64.7307 -147.436 -152.246 -211.924 338.432 -62.3219 -59.6565 35.5159 -387.376 PRESSAVG: 4388600 14.7738 -23.2932 -14.9652 -23.2932 28.9253 -6.6351 -14.9652 -6.63502 3.54354 GPRESSAVG: 4388600 14.0245 -21.5155 -14.741 -22.0176 30.0402 -5.27846 -15.4715 -5.1665 3.37314 TIMING: 4388600 CPU: 14185.9, 0.00313556/step Wall: 14185.9, 0.00313556/step, 0.532522 hours remaining, 235.464844 MB of memory in use. ENERGY: 4388600 3913.0244 20535.1718 14485.8635 260.2113 -203699.9106 2607.1343 0.0000 0.0000 51898.2701 -110000.2353 298.2601 -161898.5053 -109642.8757 297.8257 -59.9058 -37.8913 760453.8455 15.7475 15.8126 PRESSURE: 4388800 -294.94 -47.3059 47.4148 -47.3058 -386.331 -99.8424 47.4151 -99.8442 -410.791 GPRESSURE: 4388800 -389.752 -35.9847 20.8546 -24.2056 -230.687 -53.4471 26.7186 -173.184 -380.714 PRESSAVG: 4388800 -6.42351 16.1988 14.5026 16.1988 -30.7277 2.4324 14.5027 2.43243 -9.0007 GPRESSAVG: 4388800 -5.72066 17.0355 13.896 15.248 -31.0569 0.529242 14.1036 2.15014 -9.41279 TIMING: 4388800 CPU: 14186.5, 0.00312954/step Wall: 14186.5, 0.00312954/step, 0.531326 hours remaining, 235.722656 MB of memory in use. ENERGY: 4388800 3947.3034 20542.3418 14424.3397 235.0971 -203587.9147 2376.4927 0.0000 0.0000 52059.8850 -110002.4551 299.1889 -162062.3401 -109654.2918 298.1456 -364.0205 -333.7178 761315.4094 -15.3840 -15.3968 PRESSURE: 4389000 -191.192 -119.254 -37.3929 -119.254 84.8745 -41.3236 -37.3932 -41.3233 379.342 GPRESSURE: 4389000 -8.02625 -99.8642 -65.3903 -45.0474 67.7589 -153.153 25.7469 -38.9392 318.992 PRESSAVG: 4389000 -62.9473 6.87531 -23.948 6.87535 55.1364 13.5588 -23.948 13.5588 1.0923 GPRESSAVG: 4389000 -63.4292 5.17709 -24.4881 6.50408 53.4297 12.7804 -21.9106 12.9987 2.72652 TIMING: 4389000 CPU: 14187.1, 0.00314188/step Wall: 14187.1, 0.00314188/step, 0.533246 hours remaining, 235.722656 MB of memory in use. ENERGY: 4389000 3926.1378 20329.8371 14365.3725 241.7193 -203497.2854 2634.4474 0.0000 0.0000 51936.4418 -110063.3294 298.4794 -161999.7712 -109693.2450 298.5945 91.0079 126.2417 761322.5133 -2.2396 -2.4243 PRESSURE: 4389200 -269.599 -228.204 -135.876 -228.205 -80.5484 -23.8144 -135.876 -23.8151 -61.9373 GPRESSURE: 4389200 -111.885 -203.955 -156.73 -266.074 -134.216 17.655 -21.34 -20.7394 -85.0377 PRESSAVG: 4389200 -30.7188 -17.6553 -35.9205 -17.6554 20.0756 -22.0083 -35.9205 -22.0082 -7.32907 GPRESSAVG: 4389200 -28.8687 -16.3065 -34.8976 -18.2175 19.6191 -20.1732 -34.3574 -23.1114 -8.91503 TIMING: 4389200 CPU: 14187.8, 0.00314943/step Wall: 14187.8, 0.00314942/step, 0.534352 hours remaining, 235.722656 MB of memory in use. ENERGY: 4389200 3927.2452 20364.1651 14426.5109 237.6349 -203169.3441 2197.8960 0.0000 0.0000 51730.0769 -110285.8151 297.2935 -162015.8921 -109926.2170 297.9281 -137.3616 -110.3794 761467.8611 -5.9907 -6.0549 PRESSURE: 4389400 -288.734 -295.314 356.694 -295.314 -144.316 -104.054 356.694 -104.053 92.2385 GPRESSURE: 4389400 -297.327 -249.745 326.891 -374.906 -95.6158 -111.734 230.408 -72.919 143.858 PRESSAVG: 4389400 -8.94967 -63.7755 -26.0368 -63.7755 -11.6287 -18.4382 -26.0368 -18.4381 -0.814573 GPRESSAVG: 4389400 -9.85601 -63.0686 -27.0449 -61.7656 -11.264 -19.2439 -27.0203 -17.6979 -1.20474 TIMING: 4389400 CPU: 14188.4, 0.00315965/step Wall: 14188.4, 0.00315965/step, 0.535913 hours remaining, 235.722656 MB of memory in use. ENERGY: 4389400 3969.4886 20515.0369 14470.5331 245.5114 -203399.7011 2458.3778 0.0000 0.0000 51487.0334 -110253.7199 295.8967 -161740.7533 -109893.2885 297.1296 -113.6039 -83.0281 762078.8472 -7.1310 -7.4416 PRESSURE: 4389600 -202.672 -43.3557 67.9146 -43.3556 -15.8242 -255.517 67.9144 -255.517 -628.32 GPRESSURE: 4389600 -151.642 29.6026 71.6439 -9.76364 -57.5505 -177.763 -89.9352 -262.026 -543.432 PRESSAVG: 4389600 8.75965 -38.8498 -47.0311 -38.8498 3.07101 -7.96295 -47.031 -7.96305 -4.46553 GPRESSAVG: 4389600 7.28523 -40.4316 -46.9704 -39.7725 3.89542 -7.5786 -47.9901 -6.97887 -3.41697 TIMING: 4389600 CPU: 14189, 0.00313629/step Wall: 14189, 0.00313629/step, 0.531775 hours remaining, 235.980469 MB of memory in use. ENERGY: 4389600 3945.1976 20537.6760 14475.0926 245.5195 -203089.6602 2342.2841 0.0000 0.0000 51504.5915 -110039.2988 295.9976 -161543.8903 -109690.0846 297.3009 -282.2721 -250.8748 763280.9979 2.4550 2.5879 PRESSURE: 4389800 -397.019 -74.5511 -11.2262 -74.551 -484.335 -11.6347 -11.2261 -11.6353 -114.052 GPRESSURE: 4389800 -385.891 10.7044 -99.7977 6.52593 -405.505 100.92 -10.3118 -42.43 -104.476 PRESSAVG: 4389800 25.5001 -8.33209 -8.77052 -8.33204 -6.91963 6.72867 -8.77066 6.7287 4.80442 GPRESSAVG: 4389800 25.9867 -8.52047 -7.69693 -9.02116 -6.86701 6.11711 -7.08922 6.93416 4.4561 TIMING: 4389800 CPU: 14189.7, 0.00314599/step Wall: 14189.7, 0.00314599/step, 0.533245 hours remaining, 235.980469 MB of memory in use. ENERGY: 4389800 3988.3144 20536.5564 14342.6693 235.9221 -203688.4417 2533.0887 0.0000 0.0000 52005.3748 -110046.5159 298.8756 -162051.8907 -109699.2731 297.9263 -331.8022 -298.6237 762051.9433 7.7950 7.8586 PRESSURE: 4390000 -214.948 -127.195 212.256 -127.194 -236.012 93.5021 212.256 93.5024 -149.23 GPRESSURE: 4390000 -109.684 -147.889 249.33 -115.947 -297.858 100.711 213.143 30.6264 -120.381 PRESSAVG: 4390000 56.9348 -28.4666 9.59399 -28.4666 -109.137 0.888581 9.59401 0.888506 -22.4769 GPRESSAVG: 4390000 58.068 -27.8367 10.5437 -28.5785 -109.595 1.65431 8.07733 1.16432 -23.4688 TIMING: 4390000 CPU: 14190.3, 0.00313956/step Wall: 14190.3, 0.00313956/step, 0.531981 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4390000 4005.0311 20584.1606 14449.4168 251.6483 -203247.4679 2155.1699 0.0000 0.0000 51750.3773 -110051.6640 297.4101 -161802.0413 -109697.1130 298.1816 -200.0636 -175.9743 760540.4382 -24.8929 -24.9985 PRESSURE: 4390200 190.948 138.849 235.815 138.849 -149.804 -11.0207 235.815 -11.0204 107.644 GPRESSURE: 4390200 161.318 172.757 108.118 190.26 -77.6441 60.0226 314.205 -81.4377 156.101 PRESSAVG: 4390200 52.4632 -21.663 21.2977 -21.6629 -13.6157 -15.8644 21.2977 -15.8643 -22.9269 GPRESSAVG: 4390200 50.5947 -21.906 20.5262 -20.5046 -13.1038 -14.4729 21.8297 -17.9793 -21.5932 TIMING: 4390200 CPU: 14190.9, 0.00315061/step Wall: 14190.9, 0.00315061/step, 0.533678 hours remaining, 235.980469 MB of memory in use. ENERGY: 4390200 4047.6527 20505.6753 14595.5746 238.9446 -204072.4673 2896.6092 0.0000 0.0000 51858.3139 -109929.6970 298.0304 -161788.0109 -109559.3915 298.4421 49.5961 79.9248 760518.4411 5.3069 5.2993 PRESSURE: 4390400 -144.935 -190.983 -4.87131 -190.982 -111.88 -72.9271 -4.87139 -72.9274 2.39368 GPRESSURE: 4390400 -172.468 -172.964 47.2787 -183.355 9.87808 -188.252 -78.8858 -78.348 -1.51795 PRESSAVG: 4390400 22.9745 33.5823 -11.2561 33.5823 -37.5356 8.62913 -11.2562 8.62916 9.35378 GPRESSAVG: 4390400 24.0844 33.3284 -10.7964 33.2684 -35.9707 6.16994 -10.8029 11.1702 6.13979 TIMING: 4390400 CPU: 14191.5, 0.00314465/step Wall: 14191.5, 0.00314465/step, 0.532494 hours remaining, 235.980469 MB of memory in use. ENERGY: 4390400 4071.0536 20367.0511 14450.9548 243.2353 -203124.2415 2291.9556 0.0000 0.0000 51935.2006 -109764.7905 298.4723 -161699.9910 -109404.5906 298.6558 -84.8069 -54.7027 760530.1880 -1.7358 -1.9155 PRESSURE: 4390600 409.319 77.7827 28.1361 77.7816 323.179 -1.44318 28.136 -1.44269 253.784 GPRESSURE: 4390600 584.756 134.176 -31.4961 7.44249 330.074 31.779 44.1928 5.87052 140.309 PRESSAVG: 4390600 -5.9507 39.5879 -16.3106 39.5879 30.2695 76.3218 -16.3106 76.3217 -3.33581 GPRESSAVG: 4390600 -6.00822 40.216 -15.4545 40.144 28.8637 77.3699 -16.9727 76.3795 -1.31999 TIMING: 4390600 CPU: 14192.2, 0.00312519/step Wall: 14192.2, 0.00312519/step, 0.529025 hours remaining, 235.980469 MB of memory in use. ENERGY: 4390600 3868.6802 20573.5940 14397.3590 265.2028 -203335.3231 2430.0253 0.0000 0.0000 52145.7932 -109654.6685 299.6826 -161800.4617 -109286.7883 298.9507 328.7608 351.7131 760098.4136 6.9943 7.1785 PRESSURE: 4390800 280.214 -104.559 -117.541 -104.558 50.7643 -159.221 -117.54 -159.221 -45.7131 GPRESSURE: 4390800 191.218 -225.559 -130.742 -72.4356 172.455 -163.075 -36.8957 -119.169 3.89097 PRESSAVG: 4390800 19.5224 -33.1833 -27.3689 -33.1834 3.38825 29.3771 -27.369 29.3771 28.7594 GPRESSAVG: 4390800 18.424 -34.0152 -28.0188 -33.779 3.1228 28.5671 -25.2567 28.6856 29.4305 TIMING: 4390800 CPU: 14192.8, 0.00313357/step Wall: 14192.8, 0.00313357/step, 0.53027 hours remaining, 235.980469 MB of memory in use. ENERGY: 4390800 3950.5320 20522.1607 14468.8326 252.4668 -203458.3379 2615.3485 0.0000 0.0000 52022.6647 -109626.3327 298.9750 -161648.9973 -109277.5449 299.2073 95.0884 122.5210 760250.8114 17.2233 16.9924 PRESSURE: 4391000 68.0614 -47.4451 115.436 -47.4443 209.688 83.9824 115.436 83.9819 -0.620449 GPRESSURE: 4391000 134.207 14.1685 71.7218 26.4274 221.652 57.2343 132.09 126.118 23.4604 PRESSAVG: 4391000 5.93497 -12.5804 -5.13818 -12.5805 -25.0375 -0.56202 -5.13822 -0.561927 -9.56972 GPRESSAVG: 4391000 6.06399 -12.1883 -6.67039 -13.4641 -25.5114 -0.878262 -7.474 -1.21098 -9.24574 TIMING: 4391000 CPU: 14193.4, 0.00312048/step Wall: 14193.4, 0.00312048/step, 0.527882 hours remaining, 235.980469 MB of memory in use. ENERGY: 4391000 3975.8924 20395.7714 14528.2915 235.9215 -203550.5950 2695.4293 0.0000 0.0000 52163.7217 -109555.5671 299.7856 -161719.2888 -109195.0735 299.3559 92.3763 126.4400 760762.8650 -9.5574 -9.5644 PRESSURE: 4391200 -156.203 -164.176 78.7405 -164.176 -179.296 34.3559 78.7407 34.356 -144.984 GPRESSURE: 4391200 -73.4527 -66.5847 131.175 -94.787 -227.361 -65.5898 39.8579 82.1787 -94.0374 PRESSAVG: 4391200 34.9473 -35.5331 14.5146 -35.5331 -62.1403 3.21534 14.5146 3.21534 8.00773 GPRESSAVG: 4391200 36.5902 -35.5165 15.2022 -33.1638 -62.474 3.47691 13.8631 2.27723 7.04916 TIMING: 4391200 CPU: 14194, 0.00311153/step Wall: 14194, 0.00311153/step, 0.526194 hours remaining, 235.980469 MB of memory in use. ENERGY: 4391200 4085.6593 20457.2682 14362.8055 242.8430 -203262.1543 2570.1691 0.0000 0.0000 52246.3954 -109297.0138 300.2608 -161543.4092 -108936.7037 299.7785 -160.1610 -131.6172 761807.9344 -6.3951 -6.2782 PRESSURE: 4391400 -213.081 -23.199 57.6458 -23.1985 -198.496 -83.8521 57.6457 -83.8525 -327.924 GPRESSURE: 4391400 -85.9127 -19.2379 56.4516 -7.36702 -217.977 -114.979 85.9088 -106.382 -340.292 PRESSAVG: 4391400 11.4362 -46.0393 23.7407 -46.0394 -16.3347 -57.9066 23.7407 -57.9066 16.4753 GPRESSAVG: 4391400 9.9715 -47.6634 22.8198 -47.349 -14.7691 -58.3199 25.9104 -56.9514 15.8794 TIMING: 4391400 CPU: 14194.7, 0.0031161/step Wall: 14194.7, 0.0031161/step, 0.526794 hours remaining, 235.980469 MB of memory in use. ENERGY: 4391400 4004.4239 20698.2707 14468.1041 256.4573 -203421.1053 2494.1111 0.0000 0.0000 52224.0684 -109275.6699 300.1324 -161499.7383 -108925.1056 299.9608 -246.5000 -214.7272 763018.3808 3.8589 3.6939 PRESSURE: 4391600 -64.3157 21.1925 299.388 21.1923 -63.8189 142.815 299.389 142.815 -22.3748 GPRESSURE: 4391600 37.0118 -5.1922 309.323 85.1825 -106.322 103.953 126.224 138.034 -3.71611 PRESSAVG: 4391600 22.5114 17.8066 6.72525 17.8065 -9.51359 -24.5749 6.72528 -24.5749 -3.09656 GPRESSAVG: 4391600 22.573 19.1766 6.24925 20.5596 -10.613 -23.026 3.8934 -24.9664 -2.44911 TIMING: 4391600 CPU: 14195.3, 0.00313093/step Wall: 14195.3, 0.00313093/step, 0.529127 hours remaining, 235.980469 MB of memory in use. ENERGY: 4391600 3972.4561 20814.0030 14504.7466 263.8629 -203875.9954 2722.6314 0.0000 0.0000 52310.9816 -109287.3138 300.6319 -161598.2954 -108923.4602 300.1147 -50.1698 -24.3421 761787.5166 3.3004 3.1703 PRESSURE: 4391800 70.0556 91.9042 -19.7143 91.9036 130.5 -21.6484 -19.7144 -21.6485 -22.957 GPRESSURE: 4391800 68.5718 60.0466 -3.09902 73.1405 114.505 15.934 60.2712 -32.8653 89.9783 PRESSAVG: 4391800 -20.0283 -71.2971 25.6928 -71.2972 33.5059 -8.5797 25.6929 -8.57974 -1.85531 GPRESSAVG: 4391800 -20.1216 -70.7056 25.5712 -74.3849 32.8961 -9.54297 28.2208 -9.43684 -1.33684 TIMING: 4391800 CPU: 14195.9, 0.00311966/step Wall: 14195.9, 0.00311966/step, 0.527049 hours remaining, 235.980469 MB of memory in use. ENERGY: 4391800 3972.2144 20670.3828 14506.1145 258.6034 -203612.6475 2584.9253 0.0000 0.0000 52320.4682 -109299.9389 300.6865 -161620.4071 -108937.2876 300.5664 59.1995 91.0183 759667.8135 3.8741 3.8126 PRESSURE: 4392000 -154.019 25.2583 -16.0085 25.2585 -74.54 -169.129 -16.0087 -169.129 -93.3739 GPRESSURE: 4392000 -162.899 -88.8321 11.4657 63.7655 26.7301 -130.339 174.785 10.3527 -111.333 PRESSAVG: 4392000 28.0142 2.06339 -22.9083 2.06342 -3.70343 13.2842 -22.9083 13.2843 -1.16413 GPRESSAVG: 4392000 28.1948 1.76083 -22.3403 2.35619 -3.33533 14.0015 -23.0694 12.8982 -1.88489 TIMING: 4392000 CPU: 14196.5, 0.00313846/step Wall: 14196.5, 0.00313846/step, 0.530052 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4392000 4026.7731 20620.1425 14456.5056 243.4906 -203641.7205 2590.8844 0.0000 0.0000 52247.0998 -109456.8246 300.2648 -161703.9243 -109100.0400 300.0056 -107.3109 -82.5006 759406.3572 7.7156 7.6582 PRESSURE: 4392200 -76.5232 -58.9742 28.6205 -58.9746 -232.14 -135.206 28.6206 -135.207 -27.1331 GPRESSURE: 4392200 -121.646 -42.5651 49.1654 -7.31029 -142.061 -48.2906 120.817 -217.304 7.01517 PRESSAVG: 4392200 0.338688 -14.5976 -35.0591 -14.5977 -16.403 19.6747 -35.0591 19.6748 13.1794 GPRESSAVG: 4392200 -1.58438 -15.7042 -34.2176 -13.2368 -15.001 19.1877 -34.8974 21.4423 13.4334 TIMING: 4392200 CPU: 14197.2, 0.00311488/step Wall: 14197.2, 0.00311488/step, 0.525896 hours remaining, 235.980469 MB of memory in use. ENERGY: 4392200 4091.1927 20612.9344 14517.9110 253.8179 -203833.9483 2713.6604 0.0000 0.0000 52340.6432 -109303.7887 300.8024 -161644.4319 -108947.7032 300.0991 -111.9320 -85.5642 759725.1171 -0.9616 -1.0507 LDB: ============= START OF LOAD BALANCING ============== 14209.6 LDB: ============== END OF LOAD BALANCING =============== 14209.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14209.6 LDB: ============= START OF LOAD BALANCING ============== 14209.9 LDB: Largest compute 7064 load 0.033303 is 17.0% of average load 0.195590 LDB: Average compute 0.004413 is 2.3% of average load 0.195590 LDB: TIME 14209.9 LOAD: AVG 0.19559 MAX 0.211744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 14209.9 LOAD: AVG 0.19559 MAX 0.211744 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: TIME 14209.9 LOAD: AVG 0.19559 MAX 0.211744 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: ============== END OF LOAD BALANCING =============== 14209.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14209.9 PRESSURE: 4392400 -7.10812 215.173 114.191 215.173 -3.33092 -46.4889 114.191 -46.4891 247.176 GPRESSURE: 4392400 91.696 18.8666 102.831 -49.217 40.5252 8.10604 151.04 -179.693 193.216 PRESSAVG: 4392400 -5.55003 25.2742 -32.0154 25.2742 -32.1528 -39.0081 -32.0154 -39.0082 4.27409 GPRESSAVG: 4392400 -4.42314 24.7873 -33.626 24.7911 -32.6991 -39.1798 -30.2206 -41.9288 4.46033 TIMING: 4392400 CPU: 14197.8, 0.00320183/step Wall: 14197.8, 0.00320183/step, 0.540398 hours remaining, 234.683594 MB of memory in use. ENERGY: 4392400 3998.6754 20541.7887 14434.2087 247.3627 -203587.7941 2745.9028 0.0000 0.0000 52118.3520 -109501.5038 299.5249 -161619.8558 -109133.1903 300.0888 78.9125 108.4792 760787.6899 -11.1429 -10.8873 PRESSURE: 4392600 -280.065 -95.7429 -57.5755 -95.743 -418.023 136.973 -57.5764 136.974 -667.263 GPRESSURE: 4392600 -290.922 -79.639 -1.50833 -12.8722 -371.339 14.1323 -101.941 249.348 -613.553 PRESSAVG: 4392600 56.8913 -9.79699 43.5587 -9.79705 -47.8116 -40.5832 43.5587 -40.5832 -1.23616 GPRESSAVG: 4392600 57.2593 -6.78669 43.7122 -10.2608 -47.7242 -40.9896 41.7877 -38.7845 -1.84785 TIMING: 4392600 CPU: 14198.4, 0.00311121/step Wall: 14198.4, 0.00311121/step, 0.52493 hours remaining, 234.828125 MB of memory in use. ENERGY: 4392600 4107.8832 20718.0662 14462.8744 240.9459 -203008.6596 2220.5477 0.0000 0.0000 52002.4927 -109255.8495 298.8590 -161258.3422 -108892.3161 299.8292 -455.1171 -425.2712 763426.6661 2.6145 2.5624 PRESSURE: 4392800 -56.4965 -111.773 80.583 -111.774 18.6731 235.686 80.582 235.686 -101.825 GPRESSURE: 4392800 26.7582 -16.9673 30.7474 -92.3861 19.9145 182.775 69.9781 238.832 -89.3717 PRESSAVG: 4392800 72.9518 12.0294 41.0606 12.0294 -65.605 0.869559 41.0606 0.86953 -0.351143 GPRESSAVG: 4392800 72.7972 9.83392 43.1494 12.518 -66.6513 1.06008 38.3939 0.582571 0.863553 TIMING: 4392800 CPU: 14199, 0.00311927/step Wall: 14199, 0.00311927/step, 0.526117 hours remaining, 234.828125 MB of memory in use. ENERGY: 4392800 3960.2104 20482.3467 14486.4248 225.6047 -203137.9733 2436.0937 0.0000 0.0000 52148.5770 -109398.7161 299.6986 -161547.2931 -109025.8655 299.6839 -46.5494 -14.2330 761469.9333 2.3319 2.3365 PRESSURE: 4393000 -127.19 205.131 -87.3972 205.132 20.3187 141.577 -87.3971 141.577 86.6235 GPRESSURE: 4393000 -103.897 172.529 -83.161 243.479 53.9474 167.765 -5.18488 89.3564 112.495 PRESSAVG: 4393000 38.1705 7.60002 3.44064 7.60002 -30.3611 10.3915 3.44067 10.3916 4.76462 GPRESSAVG: 4393000 38.3395 7.37591 1.90803 7.76883 -29.405 10.6508 5.23588 11.6764 3.37012 TIMING: 4393000 CPU: 14199.7, 0.00311481/step Wall: 14199.7, 0.00311481/step, 0.525192 hours remaining, 234.828125 MB of memory in use. ENERGY: 4393000 4046.5839 20504.8425 14418.5710 270.5341 -203550.6026 2633.9816 0.0000 0.0000 52305.0658 -109371.0237 300.5979 -161676.0895 -109002.8866 299.5491 -6.7492 20.8485 760182.0555 4.1913 4.1016 PRESSURE: 4393200 -590.779 -0.516839 -84.8095 -0.517214 -43.3556 -76.9867 -84.8094 -76.9874 133.994 GPRESSURE: 4393200 -509.981 -35.3061 -51.9216 -132.841 -38.9019 -78.7137 -135.028 -76.9604 149.872 PRESSAVG: 4393200 41.7144 -18.6216 13.3189 -18.6216 -24.7726 22.1734 13.3188 22.1734 -0.378869 GPRESSAVG: 4393200 41.1455 -18.2483 13.122 -17.2636 -24.8825 23.6631 12.893 21.2346 0.0503119 TIMING: 4393200 CPU: 14200.3, 0.00312281/step Wall: 14200.3, 0.00312281/step, 0.526367 hours remaining, 234.828125 MB of memory in use. ENERGY: 4393200 4000.1246 20441.4552 14470.8921 242.0733 -203140.7289 2516.6611 0.0000 0.0000 52013.3134 -109456.2092 298.9212 -161469.5226 -109095.2855 299.6161 -166.7136 -133.0035 761942.8166 5.5210 5.4378 PRESSURE: 4393400 -185.242 -76.1923 62.2155 -76.192 -393.279 111.894 62.2151 111.895 386.062 GPRESSURE: 4393400 -148.581 -153.44 12.0774 72.0029 -265.705 58.5334 142.473 191.399 305.366 PRESSAVG: 4393400 11.1963 -28.5608 12.1436 -28.5607 -27.4222 48.9546 12.1435 48.9547 29.0268 GPRESSAVG: 4393400 11.8758 -27.3714 12.26 -30.2163 -27.9435 47.9413 11.6172 48.3918 28.7116 TIMING: 4393400 CPU: 14200.9, 0.0031051/step Wall: 14200.9, 0.0031051/step, 0.523209 hours remaining, 234.828125 MB of memory in use. ENERGY: 4393400 3969.8813 20713.3084 14411.4755 239.1294 -202683.8049 2051.2483 0.0000 0.0000 52044.3347 -109254.4274 299.0995 -161298.7620 -108894.7058 300.1689 -64.1530 -36.3069 761197.3854 4.2670 4.2146 PRESSURE: 4393600 19.9209 -135.333 152.393 -135.334 -259.446 -71.7061 152.392 -71.7068 -494.552 GPRESSURE: 4393600 59.1964 -165.909 226.271 -94.0074 -285.439 -114.916 180.292 13.6799 -430.348 PRESSAVG: 4393600 48.7878 -26.3696 48.4993 -26.3695 -83.2185 56.4535 48.4993 56.4534 -1.38587 GPRESSAVG: 4393600 50.565 -27.9669 48.1696 -25.5302 -84.3259 56.2481 49.9298 57.6297 -1.30056 TIMING: 4393600 CPU: 14201.5, 0.00310877/step Wall: 14201.5, 0.00310877/step, 0.523655 hours remaining, 234.828125 MB of memory in use. ENERGY: 4393600 4004.8399 20650.2765 14419.8846 254.2326 -203056.4939 2327.2966 0.0000 0.0000 52127.1000 -109272.8637 299.5752 -161399.9637 -108917.6164 300.0516 -244.6925 -218.8636 760883.5918 -11.9389 -11.6872 PRESSURE: 4393800 99.9011 -139.075 -211.958 -139.075 -567.134 -96.9164 -211.956 -96.9166 -70.4295 GPRESSURE: 4393800 149.79 -154.788 -141.916 -74.0851 -503.699 -95.3778 -124.719 -59.2674 -110.731 PRESSAVG: 4393800 75.5816 17.6619 -15.5274 17.6619 -54.5045 33.7155 -15.5274 33.7155 -5.50339 GPRESSAVG: 4393800 73.2445 16.9445 -16.1119 17.3253 -52.5824 33.8225 -17.1569 34.1335 -5.42669 TIMING: 4393800 CPU: 14202.2, 0.00312399/step Wall: 14202.2, 0.00312399/step, 0.526045 hours remaining, 234.828125 MB of memory in use. ENERGY: 4393800 4066.5070 20664.2811 14425.9027 247.0609 -203349.9231 2530.3999 0.0000 0.0000 52126.2454 -109289.5261 299.5702 -161415.7715 -108939.2024 300.1102 -179.2208 -154.8797 761127.7447 5.1912 5.0785 PRESSURE: 4394000 127.82 -203.492 175.233 -203.492 -196.535 67.1684 175.231 67.1693 55.5779 GPRESSURE: 4394000 243.952 -351.297 251.371 -230.066 -140.776 50.2378 183.29 126.041 -31.0212 PRESSAVG: 4394000 101.475 -9.08262 3.23451 -9.08268 -44.0769 -76.2033 3.23447 -76.2033 -7.45435 GPRESSAVG: 4394000 102.952 -8.56491 4.7393 -6.76326 -45.2038 -76.9032 3.05252 -75.8047 -8.02332 TIMING: 4394000 CPU: 14202.8, 0.00312417/step Wall: 14202.8, 0.00312417/step, 0.525902 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4394000 4000.5835 20547.5352 14385.6786 251.0437 -203484.5172 2630.3756 0.0000 0.0000 52177.9509 -109491.3496 299.8674 -161669.3005 -109131.8051 299.1398 -4.3790 24.0517 759802.4274 16.6479 16.5749 PRESSURE: 4394200 -561.639 128.702 62.987 128.702 -101.74 6.46602 62.987 6.46618 205.524 GPRESSURE: 4394200 -445.147 165.976 28.6917 203.669 -106.666 -34.7249 15.4023 -53.286 166.244 PRESSAVG: 4394200 40.2378 18.0024 -5.56997 18.0023 -81.5486 -28.3238 -5.56988 -28.3238 21.1009 GPRESSAVG: 4394200 40.3777 16.8173 -5.79665 17.5267 -81.7593 -28.4655 -5.7393 -29.1654 21.0562 TIMING: 4394200 CPU: 14203.4, 0.0031119/step Wall: 14203.4, 0.0031119/step, 0.523663 hours remaining, 234.828125 MB of memory in use. ENERGY: 4394200 4027.5647 20601.0275 14441.8811 239.4052 -203418.5216 2581.5762 0.0000 0.0000 52121.7296 -109405.3373 299.5443 -161527.0668 -109045.5621 299.5861 -152.6186 -128.5229 761644.5972 -6.7366 -6.7751 PRESSURE: 4394400 -118.276 -311.059 21.376 -311.059 -33.396 -11.2221 21.3768 -11.222 238.257 GPRESSURE: 4394400 -153.052 -165.211 -2.26085 -228.226 83.9143 12.5412 -53.5833 -150.691 238.078 PRESSAVG: 4394400 48.2915 -14.3865 -5.99429 -14.3865 -24.4888 32.1818 -5.99434 32.1817 1.7987 GPRESSAVG: 4394400 47.2873 -12.6777 -8.74738 -15.8208 -23.3078 33.9121 -5.84653 30.9156 1.6557 TIMING: 4394400 CPU: 14204, 0.00311145/step Wall: 14204, 0.00311145/step, 0.523415 hours remaining, 234.882812 MB of memory in use. ENERGY: 4394400 4011.9742 20631.6697 14393.5089 233.4967 -203286.4084 2755.9227 0.0000 0.0000 51854.9558 -109404.8805 298.0111 -161259.8362 -109046.3357 299.4180 28.8615 56.3132 762044.0245 8.5338 8.5451 PRESSURE: 4394600 102.455 -113.483 93.3418 -113.484 -61.7216 -236.599 93.3415 -236.599 -43.1235 GPRESSURE: 4394600 191.917 -129.491 141.025 -149.563 -15.8212 -280.831 50.9948 -212.559 -96.4987 PRESSAVG: 4394600 49.1376 -24.7816 32.6214 -24.7815 -43.8726 -36.6705 32.6215 -36.6706 9.5369 GPRESSAVG: 4394600 50.2108 -24.3011 34.01 -26.0399 -46.0092 -37.6308 31.9688 -34.7667 10.7226 TIMING: 4394600 CPU: 14204.7, 0.00310497/step Wall: 14204.7, 0.00310497/step, 0.522153 hours remaining, 234.882812 MB of memory in use. ENERGY: 4394600 4034.7027 20485.8613 14381.8740 257.3247 -202888.0895 2562.0111 0.0000 0.0000 51946.0201 -109220.2957 298.5345 -161166.3157 -108855.1159 299.5982 -0.7968 26.5325 761011.1066 4.9340 4.9747 PRESSURE: 4394800 252.778 70.3709 -99.3081 70.3709 -157.106 -289.993 -99.3074 -289.994 -113.872 GPRESSURE: 4394800 250.544 -2.64726 -47.6653 11.8604 -103.717 -224.193 -119.583 -276.99 -95.5335 PRESSAVG: 4394800 69.9616 -32.8251 2.66189 -32.825 -28.6676 -31.7428 2.66186 -31.7428 -17.0944 GPRESSAVG: 4394800 69.8942 -34.4208 2.40584 -30.4097 -27.7124 -33.1529 2.65986 -30.8796 -17.8496 TIMING: 4394800 CPU: 14205.3, 0.00312798/step Wall: 14205.3, 0.00312798/step, 0.525848 hours remaining, 234.882812 MB of memory in use. ENERGY: 4394800 3922.6245 20445.3402 14431.5934 256.0155 -203272.0949 2534.1238 0.0000 0.0000 52247.3947 -109435.0028 300.2665 -161682.3975 -109060.6153 299.4503 -6.0667 17.0977 760252.1638 8.0665 8.1107 PRESSURE: 4395000 -130.727 45.1684 -121.112 45.1691 -200.218 110.346 -121.112 110.346 -136.248 GPRESSURE: 4395000 -67.4921 119.583 -109.499 9.27205 -229.645 95.7279 -1.38403 102.475 -83.7401 PRESSAVG: 4395000 23.4805 4.08761 -35.2954 4.0876 -76.097 -36.9047 -35.2954 -36.9047 4.22029 GPRESSAVG: 4395000 24.1286 6.12498 -33.9111 2.90243 -76.8544 -35.8639 -35.0452 -39.1917 4.43423 TIMING: 4395000 CPU: 14205.9, 0.00311868/step Wall: 14205.9, 0.00311868/step, 0.524112 hours remaining, 234.882812 MB of memory in use. ENERGY: 4395000 4013.0748 20675.2889 14420.4043 234.0482 -203492.8817 2293.2799 0.0000 0.0000 52346.6915 -109510.0943 300.8372 -161856.7857 -109147.2186 299.2469 -155.7311 -126.9592 759345.2746 -16.1321 -16.0972 PRESSURE: 4395200 94.3607 235.669 68.0621 235.668 74.9834 0.300044 68.0618 0.299628 291.179 GPRESSURE: 4395200 93.6543 266.993 88.1735 277.915 128.57 9.71884 65.1813 54.9147 312.373 PRESSAVG: 4395200 52.4758 25.9459 -17.0818 25.9459 -55.0127 -2.39088 -17.0819 -2.39083 17.1317 GPRESSAVG: 4395200 49.6021 24.0283 -18.7348 29.1486 -52.8883 -2.48965 -16.0105 -1.29164 18.0831 TIMING: 4395200 CPU: 14206.5, 0.0030996/step Wall: 14206.5, 0.0030996/step, 0.520733 hours remaining, 234.882812 MB of memory in use. ENERGY: 4395200 3918.8430 20591.4982 14462.8444 270.3533 -203463.8660 2432.1636 0.0000 0.0000 52110.9606 -109677.2030 299.4824 -161788.1636 -109320.9476 300.2268 153.5077 178.1989 760235.3249 4.8649 4.9323 PRESSURE: 4395400 297.488 -112.096 -16.2693 -112.096 201.167 17.5778 -16.2692 17.5769 -374.986 GPRESSURE: 4395400 315.775 -18.1702 -69.957 -183.697 205.462 24.3784 -42.0399 -50.3982 -324.656 PRESSAVG: 4395400 12.8206 -49.7295 34.88 -49.7294 -18.6517 -10.7045 34.88 -10.7046 15.6104 GPRESSAVG: 4395400 15.069 -46.5992 35.2633 -52.0513 -19.9031 -10.1579 32.7592 -10.9338 14.2141 TIMING: 4395400 CPU: 14207.1, 0.00310273/step Wall: 14207.1, 0.00310273/step, 0.521086 hours remaining, 234.882812 MB of memory in use. ENERGY: 4395400 4029.0891 20441.9427 14438.4579 256.8788 -203631.0261 2706.9485 0.0000 0.0000 52025.5622 -109732.1470 298.9916 -161757.7092 -109369.3878 299.1270 41.2229 65.5266 759044.1588 3.2598 3.1266 PRESSURE: 4395600 -115.401 -2.49474 -84.3663 -2.49482 -154.371 -146.604 -84.3662 -146.603 84.3617 GPRESSURE: 4395600 -114.213 -80.6215 -194.053 -9.19483 -94.0616 -103.715 6.15219 -309.444 96.1896 PRESSAVG: 4395600 43.8234 30.4549 -56.1554 30.4549 -40.0749 -21.3368 -56.1554 -21.337 12.4001 GPRESSAVG: 4395600 43.9303 29.6698 -57.2268 30.2129 -40.7627 -20.0386 -54.938 -21.7987 13.1555 TIMING: 4395600 CPU: 14207.8, 0.00311382/step Wall: 14207.8, 0.00311382/step, 0.522776 hours remaining, 234.882812 MB of memory in use. ENERGY: 4395600 3938.9695 20411.6708 14463.0477 242.4775 -203250.9337 2467.6686 0.0000 0.0000 52081.1507 -109645.9488 299.3111 -161727.0994 -109270.8130 299.2683 -61.8035 -37.3616 761734.5909 5.3829 5.4411 PRESSURE: 4395800 -35.9177 -41.6483 -109.3 -41.6483 74.9559 -109.964 -109.3 -109.964 -180.285 GPRESSURE: 4395800 -60.67 -33.7042 -60.6594 68.1298 158.898 -177.214 -86.5581 -5.29793 -147.428 PRESSAVG: 4395800 128.459 -15.6016 -27.515 -15.6015 -123.961 10.4517 -27.515 10.4516 0.818322 GPRESSAVG: 4395800 127.953 -18.5574 -26.7965 -14.2344 -122.427 8.59032 -27.5199 10.6615 0.216277 TIMING: 4395800 CPU: 14208.4, 0.0031347/step Wall: 14208.4, 0.0031347/step, 0.526108 hours remaining, 234.882812 MB of memory in use. ENERGY: 4395800 3988.4779 20410.3397 14361.6869 241.8885 -203681.4633 2732.2497 0.0000 0.0000 52063.2507 -109883.5699 299.2082 -161946.8207 -109510.3174 298.5205 -47.0822 -16.4000 760377.2734 1.7721 1.9141 PRESSURE: 4396000 23.0808 -110.705 82.5418 -110.705 59.9729 102.035 82.5411 102.035 -42.7256 GPRESSURE: 4396000 116.407 75.3341 162.021 -235.651 28.3178 134.136 36.0569 131.286 -46.505 PRESSAVG: 4396000 49.9572 -8.30831 -10.6813 -8.3083 -54.5391 -18.4408 -10.6814 -18.4409 20.3247 GPRESSAVG: 4396000 49.3012 -5.02963 -10.1389 -10.0684 -55.1128 -17.4229 -11.2862 -17.4017 20.6481 TIMING: 4396000 CPU: 14209, 0.00314608/step Wall: 14209, 0.00314608/step, 0.527842 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4396000 4033.8957 20523.2570 14416.2167 238.8659 -203820.7460 2704.9788 0.0000 0.0000 51982.0932 -109921.4386 298.7418 -161903.5318 -109564.4149 298.7674 13.4427 32.7398 760740.7155 5.2476 4.9455 PRESSURE: 4396200 -12.4035 -174.216 -98.0997 -174.216 33.4925 -113.53 -98.0995 -113.531 -382.243 GPRESSURE: 4396200 5.18827 -170.13 43.2168 -56.7926 76.11 -72.1293 -13.3086 -152.022 -367.789 PRESSAVG: 4396200 -26.0918 -17.1771 71.8823 -17.1771 7.66791 -8.79209 71.8824 -8.79207 5.93112 GPRESSAVG: 4396200 -25.2428 -18.2076 73.0083 -15.7507 7.03136 -8.69535 70.9515 -10.1827 5.41261 TIMING: 4396200 CPU: 14209.6, 0.00313463/step Wall: 14209.6, 0.00313463/step, 0.525748 hours remaining, 234.882812 MB of memory in use. ENERGY: 4396200 4041.4239 20452.1262 14510.4778 251.2418 -203907.1841 2806.4423 0.0000 0.0000 52119.3260 -109726.1461 299.5305 -161845.4721 -109366.4041 298.9432 -120.3846 -95.4968 760712.5908 -4.1643 -4.2663 LDB: ============= START OF LOAD BALANCING ============== 14222.1 LDB: ============== END OF LOAD BALANCING =============== 14222.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14222.1 LDB: ============= START OF LOAD BALANCING ============== 14222.4 LDB: Largest compute 7064 load 0.031956 is 16.3% of average load 0.195454 LDB: Average compute 0.004429 is 2.3% of average load 0.195454 LDB: TIME 14222.4 LOAD: AVG 0.195454 MAX 0.213245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 14222.4 LOAD: AVG 0.195454 MAX 0.213245 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.449 MB LDB: TIME 14222.4 LOAD: AVG 0.195454 MAX 0.213245 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.449 MB LDB: ============== END OF LOAD BALANCING =============== 14222.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14222.4 PRESSURE: 4396400 196.264 230.746 -67.8868 230.747 -265.527 -138.089 -67.8864 -138.089 5.76561 GPRESSURE: 4396400 215.747 115.421 -93.3459 167.536 -241.793 -223.467 -91.5338 -74.4572 52.7505 PRESSAVG: 4396400 30.4559 -16.2731 51.0335 -16.2731 14.5367 9.67655 51.0336 9.6766 -0.5719 GPRESSAVG: 4396400 28.9064 -17.0885 49.8448 -17.3039 15.3468 8.88206 51.4149 10.2606 0.104846 TIMING: 4396400 CPU: 14210.3, 0.00318673/step Wall: 14210.3, 0.00318673/step, 0.534308 hours remaining, 235.394531 MB of memory in use. ENERGY: 4396400 4095.1557 20487.5490 14430.2266 258.1026 -203791.5601 2679.6641 0.0000 0.0000 51951.1088 -109889.7532 298.5637 -161840.8620 -109541.8397 298.9197 -21.1658 8.9014 759950.0282 14.8069 14.7860 PRESSURE: 4396600 115.503 -139.943 -87.3947 -139.944 -189.687 -114.552 -87.395 -114.554 -91.2617 GPRESSURE: 4396600 212.223 -126.099 -78.7079 -10.8186 -221.058 -93.6537 -32.6132 -92.1688 -60.4262 PRESSAVG: 4396600 -6.77179 -21.4734 40.0828 -21.4734 48.2021 27.4519 40.0828 27.4519 -9.34524 GPRESSAVG: 4396600 -6.29612 -20.4947 39.7258 -21.2091 47.1108 28.4571 40.4693 28.5454 -9.03347 TIMING: 4396600 CPU: 14210.9, 0.00311346/step Wall: 14210.9, 0.00311346/step, 0.52185 hours remaining, 235.597656 MB of memory in use. ENERGY: 4396600 3935.8184 20426.7880 14400.6834 250.0482 -203400.6178 2585.4567 0.0000 0.0000 51842.2774 -109959.5459 297.9383 -161801.8233 -109598.7970 298.8710 -55.1484 -23.0874 763220.8604 10.6950 10.5937 PRESSURE: 4396800 12.0677 105.261 182.536 105.261 -91.6804 100.669 182.536 100.669 -4.35728 GPRESSURE: 4396800 64.6685 118.615 81.2748 137.114 -58.2293 80.4524 100.571 120.673 9.09064 PRESSAVG: 4396800 -22.2675 -4.72491 37.4297 -4.72494 -0.494681 36.9104 37.4297 36.9104 -1.77477 GPRESSAVG: 4396800 -21.5412 -6.01934 37.7653 -4.51091 -1.05184 36.6122 34.9688 36.0014 -2.00592 TIMING: 4396800 CPU: 14211.5, 0.00312758/step Wall: 14211.5, 0.00312758/step, 0.524044 hours remaining, 235.855469 MB of memory in use. ENERGY: 4396800 3936.8170 20566.9364 14399.8851 249.9568 -203345.8871 2396.7210 0.0000 0.0000 51960.4093 -109835.1617 298.6172 -161795.5710 -109471.5322 298.3463 -27.9900 5.1766 759731.8043 -8.1790 -8.1997 PRESSURE: 4397000 -17.3032 178.794 100.319 178.794 -393.528 155.697 100.319 155.697 -292.182 GPRESSURE: 4397000 34.3716 254.98 198.014 82.594 -409.921 178.139 89.6272 134.951 -246.391 PRESSAVG: 4397000 -11.2326 1.34039 32.6029 1.34041 17.8099 -6.91449 32.6029 -6.91444 27.5027 GPRESSAVG: 4397000 -12.6573 2.76926 32.7924 0.921276 18.7843 -6.61433 34.746 -4.67112 27.7805 TIMING: 4397000 CPU: 14212.2, 0.00313936/step Wall: 14212.2, 0.00313936/step, 0.525843 hours remaining, 235.855469 MB of memory in use. ENERGY: 4397000 4026.9120 20435.5734 14385.6728 231.1828 -203254.0725 2397.5935 0.0000 0.0000 51778.8136 -109998.3243 297.5736 -161777.1380 -109636.9747 297.9805 -234.3377 -207.3136 761606.9445 11.3600 11.3025 PRESSURE: 4397200 453.865 127.887 64.038 127.887 365.215 36.1509 64.0374 36.1518 302.952 GPRESSURE: 4397200 412.215 143.749 103.597 39.0152 480.415 17.1501 4.6274 85.4064 314.901 PRESSAVG: 4397200 -7.74066 31.4105 34.8659 31.4105 19.5672 15.5417 34.8659 15.5418 -10.1669 GPRESSAVG: 4397200 -7.17155 31.7483 34.0984 30.1779 19.7018 15.0033 34.6096 13.6745 -10.552 TIMING: 4397200 CPU: 14212.8, 0.00312034/step Wall: 14212.8, 0.00312034/step, 0.522484 hours remaining, 235.855469 MB of memory in use. ENERGY: 4397200 3957.9339 20303.6955 14408.9708 257.0473 -203734.8052 2892.6616 0.0000 0.0000 52047.4734 -109867.0227 299.1175 -161914.4960 -109506.0385 298.7330 374.0104 402.5105 758825.7454 0.5532 0.6594 PRESSURE: 4397400 65.1503 -26.6221 63.7998 -26.6217 40.6973 93.0319 63.7991 93.032 -261.827 GPRESSURE: 4397400 97.3766 -40.8977 51.4491 15.2777 67.3126 73.4754 197.002 68.7473 -215.532 PRESSAVG: 4397400 64.2923 -6.23307 -28.0551 -6.23304 -24.2579 36.3256 -28.0552 36.3256 -6.19775 GPRESSAVG: 4397400 65.0086 -7.27579 -28.173 -4.97551 -25.067 35.3849 -26.3071 36.7901 -6.04597 TIMING: 4397400 CPU: 14213.4, 0.0031182/step Wall: 14213.4, 0.0031182/step, 0.521953 hours remaining, 235.855469 MB of memory in use. ENERGY: 4397400 3988.3547 20452.8930 14451.6275 253.1239 -203543.3910 2697.1300 0.0000 0.0000 51874.2554 -109826.0066 298.1221 -161700.2620 -109449.5390 298.8440 -51.9930 -16.9476 760884.0794 11.2789 11.2985 PRESSURE: 4397600 -353.291 -142.064 83.8454 -142.064 -204.786 -87.8022 83.8456 -87.8019 -356.114 GPRESSURE: 4397600 -339.299 -128.79 194.012 -54.727 -157.449 -133.058 20.1679 -184.257 -337.33 PRESSAVG: 4397600 -41.474 -13.692 26.8959 -13.692 12.5266 -2.76525 26.8959 -2.76526 -7.92245 GPRESSAVG: 4397600 -41.8242 -13.2077 26.4646 -12.5842 13.3866 -0.445929 24.6209 -3.42789 -8.33318 TIMING: 4397600 CPU: 14214, 0.00310822/step Wall: 14214, 0.00310822/step, 0.520109 hours remaining, 235.855469 MB of memory in use. ENERGY: 4397600 3989.9933 20481.1851 14510.5814 249.8790 -203061.4663 2279.1541 0.0000 0.0000 51731.4430 -109819.2305 297.3013 -161550.6734 -109468.4536 298.3447 -304.7302 -278.0261 760225.6449 -12.2900 -12.2569 PRESSURE: 4397800 -65.4778 217.458 68.6361 217.46 -142.565 95.3685 68.6356 95.3679 -307.551 GPRESSURE: 4397800 -57.2728 302.14 11.0618 208.845 -9.66772 53.9519 45.326 -9.40349 -369.065 PRESSAVG: 4397800 -10.0096 -5.74739 -6.42782 -5.74747 31.3265 54.3142 -6.42781 54.3141 26.9247 GPRESSAVG: 4397800 -10.5805 -5.91143 -7.05861 -7.65785 31.5493 52.2864 -4.6941 53.5529 27.0793 TIMING: 4397800 CPU: 14214.7, 0.00312172/step Wall: 14214.7, 0.00312172/step, 0.522195 hours remaining, 235.855469 MB of memory in use. ENERGY: 4397800 4024.4795 20530.3483 14413.9303 231.3086 -203233.9053 2211.0092 0.0000 0.0000 52062.1704 -109760.6590 299.2020 -161822.8294 -109395.7136 298.4747 -171.8648 -145.3353 760584.2045 16.0805 16.0160 PRESSURE: 4398000 -427.837 62.9229 -12.3417 62.9224 -30.8106 172.646 -12.3417 172.646 -133.812 GPRESSURE: 4398000 -292.618 167.102 78.1042 -109.15 -33.8122 88.679 -121.696 363.944 -174.717 PRESSAVG: 4398000 20.1042 -32.2867 -16.2031 -32.2866 33.0232 -10.1424 -16.2031 -10.1424 41.4512 GPRESSAVG: 4398000 20.5442 -30.995 -15.5702 -32.165 33.8839 -8.80064 -17.6196 -10.4481 40.1829 TIMING: 4398000 CPU: 14215.3, 0.00314005/step Wall: 14215.3, 0.00314005/step, 0.525087 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4398000 4029.8422 20585.6009 14570.2682 262.8245 -203432.3027 2427.1108 0.0000 0.0000 51928.2802 -109628.3759 298.4325 -161556.6561 -109269.9559 298.9668 -197.4867 -167.0491 760844.7300 31.5262 31.5370 PRESSURE: 4398200 105.706 111.497 33.0563 111.497 -35.3389 46.9496 33.0566 46.9501 34.3154 GPRESSURE: 4398200 197.556 92.7434 44.0702 168.34 -50.5465 109.289 -70.7366 14.3141 55.2254 PRESSAVG: 4398200 40.3874 -15.4113 13.1759 -15.4113 -70.9985 -29.2215 13.1758 -29.2216 -0.909551 GPRESSAVG: 4398200 40.953 -17.9649 12.9644 -15.2007 -72.5639 -29.0332 13.3507 -28.435 0.68049 TIMING: 4398200 CPU: 14215.9, 0.00313973/step Wall: 14215.9, 0.00313973/step, 0.524859 hours remaining, 235.855469 MB of memory in use. ENERGY: 4398200 3985.8506 20603.3876 14400.2700 238.3188 -203653.0013 2605.2971 0.0000 0.0000 52006.0612 -109813.8158 298.8795 -161819.8771 -109449.3852 298.6752 34.8942 67.4118 759921.9608 -10.5069 -10.3101 PRESSURE: 4398400 63.8655 -34.0967 -96.183 -34.0962 100.832 -151.568 -96.1819 -151.568 -136.87 GPRESSURE: 4398400 119.334 8.99547 -42.6657 27.8567 149.07 -163.339 -105.418 -234.485 -159.941 PRESSAVG: 4398400 -2.25911 -10.2318 66.5771 -10.2318 -40.7343 14.303 66.5771 14.303 9.16669 GPRESSAVG: 4398400 -2.06559 -9.84687 67.2618 -8.7864 -40.0169 14.1018 66.3564 14.4 8.2286 TIMING: 4398400 CPU: 14216.5, 0.00311347/step Wall: 14216.5, 0.00311347/step, 0.520295 hours remaining, 235.855469 MB of memory in use. ENERGY: 4398400 4045.7282 20475.1124 14457.4969 241.7115 -203465.8075 2380.8383 0.0000 0.0000 52127.6726 -109737.2476 299.5785 -161864.9202 -109375.2835 298.6702 9.2757 36.1546 760373.6217 -11.2756 -11.2846 PRESSURE: 4398600 148.165 202.13 58.7091 202.129 112.206 166.59 58.7086 166.59 31.8905 GPRESSURE: 4398600 162.563 196.68 79.7386 130.243 160.55 144.269 4.98549 95.0119 35.4338 PRESSAVG: 4398600 43.3255 41.199 63.9846 41.199 -38.2779 29.7145 63.9847 29.7144 16.0298 GPRESSAVG: 4398600 43.6145 41.1186 64.1252 38.7496 -38.2475 29.8919 61.5549 28.8966 15.2967 TIMING: 4398600 CPU: 14217.2, 0.00310739/step Wall: 14217.2, 0.00310739/step, 0.519107 hours remaining, 235.855469 MB of memory in use. ENERGY: 4398600 4035.6914 20499.2657 14410.4628 258.3053 -203538.8792 2406.9783 0.0000 0.0000 52248.8929 -109679.2828 300.2751 -161928.1757 -109317.1906 299.2921 97.4207 119.5158 759616.3986 7.0258 6.8879 PRESSURE: 4398800 -182.979 27.3838 30.7556 27.3846 -262.745 -92.1156 30.7555 -92.1163 -32.9525 GPRESSURE: 4398800 -155.226 -37.4459 17.3685 -100.442 -242.553 -56.2445 170.792 -159.694 7.02683 PRESSAVG: 4398800 -4.86584 12.2702 5.58429 12.2703 18.8452 -18.9393 5.58423 -18.9392 -2.32224 GPRESSAVG: 4398800 -4.58088 13.8712 3.67926 11.8713 19.1766 -20.0712 10.3482 -18.8271 -2.45686 TIMING: 4398800 CPU: 14217.8, 0.00311668/step Wall: 14217.8, 0.00311668/step, 0.520486 hours remaining, 235.855469 MB of memory in use. ENERGY: 4398800 4037.5944 20649.0263 14389.3108 234.6622 -203867.7821 2800.5756 0.0000 0.0000 52002.0893 -109754.5235 298.8567 -161756.6129 -109392.4099 299.1014 -159.5590 -130.2506 760652.4762 3.8857 4.0463 PRESSURE: 4399000 177.717 -59.5324 16.0701 -59.5326 35.8981 -10.497 16.0701 -10.4969 -125.381 GPRESSURE: 4399000 219.589 64.2843 101.417 -38.1945 15.2263 -28.7366 -45.9126 13.2373 -61.9366 PRESSAVG: 4399000 72.0516 25.9172 39.5155 25.9172 -60.2396 -1.26983 39.5155 -1.26971 11.4541 GPRESSAVG: 4399000 70.8237 24.6419 41.2371 26.419 -59.29 -0.223341 38.1782 -0.150598 10.7845 TIMING: 4399000 CPU: 14218.4, 0.00309797/step Wall: 14218.4, 0.00309797/step, 0.517189 hours remaining, 235.855469 MB of memory in use. ENERGY: 4399000 4026.2804 20574.7954 14569.4679 256.7042 -203659.3300 2648.9293 0.0000 0.0000 51858.1247 -109725.0280 298.0294 -161583.1528 -109373.9329 298.7190 29.4115 57.6263 760406.7706 7.7553 7.4394 PRESSURE: 4399200 -228.501 -49.8836 -37.0792 -49.8841 -153.675 249.165 -37.0783 249.165 -172.576 GPRESSURE: 4399200 -116.674 84.7387 14.4536 -46.7955 -149.641 333.627 -99.1107 170.903 -195.951 PRESSAVG: 4399200 71.7619 4.58467 -12.5822 4.58469 -40.8696 38.6414 -12.5823 38.6414 -7.34467 GPRESSAVG: 4399200 72.165 4.72516 -11.8984 3.99386 -42.2958 39.1232 -12.8279 37.2831 -6.21562 TIMING: 4399200 CPU: 14219, 0.00311956/step Wall: 14219, 0.00311956/step, 0.520619 hours remaining, 235.855469 MB of memory in use. ENERGY: 4399200 4015.8022 20807.8422 14391.6070 225.2526 -203187.0969 2410.6021 0.0000 0.0000 51882.6547 -109453.3360 298.1703 -161335.9907 -109096.3531 299.0804 -184.9175 -154.0888 761552.8474 7.8492 7.8845 PRESSURE: 4399400 -85.3371 -68.0831 -179.351 -68.0826 -384.607 -145.718 -179.351 -145.717 -511.009 GPRESSURE: 4399400 -69.3067 -60.4995 -131.624 -50.8791 -300.899 -70.1495 -13.097 -206.298 -527.067 PRESSAVG: 4399400 -40.9428 22.4039 27.2598 22.4038 32.5358 26.7512 27.2598 26.7512 -2.83941 GPRESSAVG: 4399400 -40.8289 22.4828 26.1677 21.3358 31.8843 23.4935 26.5325 27.8374 -2.28915 TIMING: 4399400 CPU: 14219.6, 0.00310801/step Wall: 14219.6, 0.00310801/step, 0.518519 hours remaining, 235.855469 MB of memory in use. ENERGY: 4399400 3973.7692 20854.9113 14441.6112 267.8404 -203112.8514 2166.1947 0.0000 0.0000 52039.7334 -109368.7911 299.0731 -161408.5245 -109012.7889 299.6144 -326.9844 -299.0909 761599.2709 -3.7488 -3.7446 PRESSURE: 4399600 -30.2069 203.808 -280.495 203.807 195.411 -123.816 -280.495 -123.815 102.428 GPRESSURE: 4399600 -17.2722 70.5484 -270.363 182.737 306.893 -110.697 -205.217 -143.692 72.0605 PRESSAVG: 4399600 1.52885 -10.1322 -52.3862 -10.1322 25.9598 4.46095 -52.3861 4.46088 14.9831 GPRESSAVG: 4399600 1.0958 -8.75281 -52.7278 -9.93024 27.3518 7.15463 -52.7067 3.69753 14.2112 TIMING: 4399600 CPU: 14220.3, 0.00311257/step Wall: 14220.3, 0.00311256/step, 0.519107 hours remaining, 235.855469 MB of memory in use. ENERGY: 4399600 3956.1381 20563.1565 14417.4809 265.9372 -203610.9950 2659.3154 0.0000 0.0000 52456.0306 -109292.9363 301.4655 -161748.9669 -108929.3399 299.7202 89.2107 120.5603 760478.1057 14.1572 14.2196 PRESSURE: 4399800 190.54 107.191 10.46 107.191 -134.641 -18.4316 10.4605 -18.4315 267.578 GPRESSURE: 4399800 173.351 85.5244 106.066 -22.5182 -99.5597 -24.5685 -73.5155 -13.7749 315.161 PRESSAVG: 4399800 20.9259 20.108 9.98864 20.1081 -31.484 26.2131 9.98863 26.2132 -10.2631 GPRESSAVG: 4399800 21.3207 18.0899 9.57618 21.8286 -31.6704 25.1726 9.12177 24.2189 -9.82106 TIMING: 4399800 CPU: 14220.9, 0.00310201/step Wall: 14220.9, 0.00310201/step, 0.517174 hours remaining, 236.109375 MB of memory in use. ENERGY: 4399800 3987.1983 20583.2711 14381.4595 250.8482 -203668.1228 2757.5454 0.0000 0.0000 52231.8739 -109475.9264 300.1773 -161707.8003 -109117.9841 299.2108 107.8255 129.6508 759666.9140 -6.9404 -6.7236 PRESSURE: 4400000 -159.132 14.1594 -300.407 14.1595 -338.016 7.47397 -300.408 7.47428 -206.08 GPRESSURE: 4400000 -102.707 -18.3793 -186.948 32.9436 -378.045 61.8033 -237.072 7.81806 -167.2 PRESSAVG: 4400000 28.2272 -3.66516 22.6119 -3.66521 -51.724 11.0679 22.6119 11.0679 1.00743 GPRESSAVG: 4400000 28.2137 -1.2652 21.8961 -5.01419 -51.7305 11.6587 25.3939 12.8873 1.35862 TIMING: 4400000 CPU: 14221.5, 0.0031096/step Wall: 14221.5, 0.0031096/step, 0.518267 hours remaining, 236.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4400000 3959.2127 20735.5819 14438.8006 249.1146 -203105.8395 2309.8589 0.0000 0.0000 51936.1472 -109477.1236 298.4778 -161413.2708 -109111.7459 299.2563 -234.4093 -215.9842 762103.4953 -7.4964 -7.3861 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.4.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 391.382 -98.7484 138.682 -98.7477 -33.6103 -384.346 138.683 -384.346 135.075 GPRESSURE: 4400200 358.489 45.4156 96.2695 -155.618 119.856 -346.345 88.138 -377.223 108.707 PRESSAVG: 4400200 44.632 -20.8534 10.5437 -20.8534 -47.2562 -21.4107 10.5437 -21.4106 -19.3398 GPRESSAVG: 4400200 44.2367 -20.6683 11.4726 -20.4046 -46.1196 -21.1548 7.08736 -20.4506 -19.4256 TIMING: 4400200 CPU: 14222.2, 0.0032302/step Wall: 14222.2, 0.0032302/step, 0.538187 hours remaining, 236.109375 MB of memory in use. ENERGY: 4400200 3975.4929 20697.4743 14509.5584 242.2194 -203336.4419 2618.8656 0.0000 0.0000 51799.4631 -109493.3682 297.6922 -161292.8313 -109130.1847 299.0200 164.2823 195.6836 758655.0612 -7.3214 -7.1028 LDB: ============= START OF LOAD BALANCING ============== 14234.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14234.6 LDB: =============== DONE WITH MIGRATION ================ 14234.6 LDB: ============= START OF LOAD BALANCING ============== 14234.9 LDB: Largest compute 7031 load 0.033612 is 17.2% of average load 0.195647 LDB: Average compute 0.004400 is 2.2% of average load 0.195647 LDB: TIME 14234.9 LOAD: AVG 0.195647 MAX 0.213475 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 14234.9 LOAD: AVG 0.195647 MAX 0.213475 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: TIME 14234.9 LOAD: AVG 0.195647 MAX 0.213475 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: ============== END OF LOAD BALANCING =============== 14234.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14234.9 PRESSURE: 4400400 259.758 68.9779 -85.7109 68.9783 -87.5335 14.7805 -85.7118 14.7805 -185.508 GPRESSURE: 4400400 239.454 63.4051 -41.1463 87.6024 29.5383 -48.4901 -69.2727 -64.3902 -190.437 PRESSAVG: 4400400 21.6295 12.1995 -26.6668 12.1995 -18.258 -21.5224 -26.6668 -21.5225 4.31875 GPRESSAVG: 4400400 20.8799 11.2637 -28.1247 12.9554 -17.8591 -21.8536 -24.8199 -23.3439 4.62905 TIMING: 4400400 CPU: 14222.8, 0.00319399/step Wall: 14222.8, 0.00319399/step, 0.531977 hours remaining, 235.253906 MB of memory in use. ENERGY: 4400400 3974.0358 20713.6417 14394.0352 250.4123 -203216.6232 2542.7008 0.0000 0.0000 51836.9765 -109504.8210 297.9078 -161341.7975 -109142.1082 299.3651 -4.4278 26.1853 759826.3493 2.5634 2.5499 PRESSURE: 4400600 -83.0712 47.9005 228.217 47.9006 -48.3355 32.0053 228.217 32.0038 156.05 GPRESSURE: 4400600 89.0439 100.138 232.244 18.4927 -84.4829 -48.8631 153.949 -15.1541 116.516 PRESSAVG: 4400600 65.5515 -0.942244 -49.4765 -0.942226 -40.1105 -42.2089 -49.4764 -42.2089 11.9741 GPRESSAVG: 4400600 68.2384 -1.02707 -47.7043 -1.75476 -41.0538 -43.3965 -49.9803 -40.9016 10.4501 TIMING: 4400600 CPU: 14223.4, 0.00312691/step Wall: 14223.4, 0.00312691/step, 0.520631 hours remaining, 235.867188 MB of memory in use. ENERGY: 4400600 4015.7445 20366.1163 14450.4895 268.7757 -203333.9240 2667.5779 0.0000 0.0000 51930.0784 -109635.1417 298.4429 -161565.2201 -109264.8190 298.6280 8.2146 40.3592 761206.4779 12.4717 12.5449 PRESSURE: 4400800 174.34 -67.362 180.079 -67.3619 -69.3292 -186.697 180.079 -186.697 552.373 GPRESSURE: 4400800 300.876 -11.5161 193.137 -86.4696 -18.288 -121.851 123.535 -131.498 443.923 PRESSAVG: 4400800 31.5789 1.72684 -19.9693 1.72687 -49.1829 16.5431 -19.9694 16.5432 -28.1206 GPRESSAVG: 4400800 30.7732 -0.741208 -17.817 2.39785 -49.7338 16.5153 -21.0017 16.5846 -27.0413 TIMING: 4400800 CPU: 14224, 0.00313101/step Wall: 14224, 0.00313101/step, 0.52114 hours remaining, 235.867188 MB of memory in use. ENERGY: 4400800 3875.5765 20565.0027 14506.6712 242.7316 -203780.4054 2940.3422 0.0000 0.0000 52069.9986 -109580.0825 299.2470 -161650.0812 -109221.0956 298.5854 219.1278 242.1703 761925.6567 -15.2415 -15.3340 PRESSURE: 4401000 92.511 26.5449 119.236 26.5446 -91.253 3.28478 119.234 3.28643 -285.196 GPRESSURE: 4401000 173.652 44.129 236.25 63.0788 -116.26 -29.5765 -47.6002 102.281 -247.117 PRESSAVG: 4401000 73.2168 11.248 66.3448 11.2481 -59.205 -8.62499 66.3449 -8.62501 4.05878 GPRESSAVG: 4401000 74.5485 12.543 65.1195 13.8621 -59.383 -7.16716 65.5598 -7.87133 3.43684 TIMING: 4401000 CPU: 14224.7, 0.00311618/step Wall: 14224.7, 0.00311618/step, 0.518498 hours remaining, 235.937500 MB of memory in use. ENERGY: 4401000 4042.0410 20515.7235 14406.8207 257.6422 -203466.8199 2617.6982 0.0000 0.0000 52062.1387 -109564.7555 299.2018 -161626.8942 -109200.4705 299.0353 -94.6459 -63.2421 762916.8906 6.0235 6.2008 PRESSURE: 4401200 -75.2332 98.3659 -110.093 98.3651 -6.03947 -187.794 -110.093 -187.795 11.3556 GPRESSURE: 4401200 52.1936 129.912 -92.7327 95.8705 -1.44706 -123.857 27.9431 -153.081 -40.2917 PRESSAVG: 4401200 13.0191 16.7706 -4.27938 16.7705 -27.8973 13.6396 -4.27933 13.6396 10.9536 GPRESSAVG: 4401200 12.9776 17.5818 -5.26364 13.9622 -27.977 14.113 -0.0973067 12.3747 11.4816 TIMING: 4401200 CPU: 14225.3, 0.00312133/step Wall: 14225.3, 0.00312133/step, 0.519182 hours remaining, 235.937500 MB of memory in use. ENERGY: 4401200 3949.8568 20370.8944 14400.7309 259.4735 -203161.2196 2557.0307 0.0000 0.0000 51893.8385 -109729.3948 298.2346 -161623.2333 -109351.4359 298.5249 -23.3057 3.4849 762240.2329 -1.3082 -1.1726 PRESSURE: 4401400 -103.257 7.1316 -20.2434 7.13139 2.18394 -30.9987 -20.2436 -30.9988 -93.7182 GPRESSURE: 4401400 -111.617 58.0395 -28.171 -66.3729 94.3858 -8.47043 -24.269 24.1774 -86.313 PRESSAVG: 4401400 22.9496 41.9904 -62.3539 41.9904 21.4462 -33.9261 -62.3538 -33.9261 -11.8306 GPRESSAVG: 4401400 21.8049 40.6055 -61.8163 42.2204 22.4941 -33.9872 -64.5338 -33.6498 -12.3146 TIMING: 4401400 CPU: 14225.9, 0.00311631/step Wall: 14225.9, 0.00311631/step, 0.518173 hours remaining, 235.937500 MB of memory in use. ENERGY: 4401400 4100.1172 20572.2508 14363.8583 238.3761 -203386.8377 2565.3541 0.0000 0.0000 52082.1939 -109464.6872 299.3171 -161546.8812 -109106.3400 298.6926 -64.9303 -34.5147 762109.6735 10.8550 10.6615 PRESSURE: 4401600 54.7062 55.7274 122.632 55.7275 -240.326 147.459 122.632 147.458 -446.172 GPRESSURE: 4401600 110.083 -8.38359 143.193 47.7587 -148.671 44.4472 90.4286 44.2995 -514.769 PRESSAVG: 4401600 33.8138 27.735 -21.5365 27.7351 -9.81627 -35.663 -21.5365 -35.6629 1.93116 GPRESSAVG: 4401600 33.6412 28.5583 -21.3007 28.4682 -9.98607 -36.8085 -22.6081 -36.545 1.52288 TIMING: 4401600 CPU: 14226.5, 0.00311319/step Wall: 14226.5, 0.00311319/step, 0.517481 hours remaining, 235.937500 MB of memory in use. ENERGY: 4401600 4069.3803 20600.7883 14417.1926 258.5656 -203640.5107 2705.1737 0.0000 0.0000 51946.4170 -109642.9932 298.5368 -161589.4102 -109273.3067 299.3305 -210.5974 -184.4523 761616.0497 8.6429 8.3927 PRESSURE: 4401800 340.274 185.269 8.5372 185.268 95.6874 -280.218 8.53677 -280.218 312.974 GPRESSURE: 4401800 259.941 194.131 -11.9481 40.4808 194.012 -249.5 -46.9792 -193.835 378.904 PRESSAVG: 4401800 60.8419 -8.89754 1.88345 -8.89749 -41.2686 -64.1635 1.88344 -64.1636 -24.3725 GPRESSAVG: 4401800 62.398 -7.93652 2.21497 -10.2693 -41.6186 -64.2462 2.41228 -61.8146 -25.0153 TIMING: 4401800 CPU: 14227.2, 0.00314041/step Wall: 14227.2, 0.00314041/step, 0.521831 hours remaining, 235.937500 MB of memory in use. ENERGY: 4401800 4062.0209 20509.3926 14436.7605 233.6495 -203618.4395 2727.1292 0.0000 0.0000 52127.8786 -109521.6083 299.5796 -161649.4869 -109155.2977 298.9841 249.6454 277.6189 760590.8815 -1.5997 -1.4120 PRESSURE: 4402000 113.141 -4.30361 -79.3093 -4.30408 28.6008 23.5936 -79.3087 23.595 224.043 GPRESSURE: 4402000 129.715 -9.32192 -130.284 259.112 43.8368 1.84553 17.3242 -44.9247 279.973 PRESSAVG: 4402000 48.7743 35.7119 -20.1452 35.712 -69.6166 -51.4183 -20.1453 -51.4183 3.47463 GPRESSAVG: 4402000 48.2029 36.0808 -21.8124 36.5515 -69.0251 -52.5355 -18.1109 -52.4555 3.55473 TIMING: 4402000 CPU: 14227.8, 0.00311564/step Wall: 14227.8, 0.00311564/step, 0.517543 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4402000 4029.0111 20649.4427 14416.1322 247.0825 -203817.7676 2765.0967 0.0000 0.0000 51968.5790 -109742.4233 298.6641 -161711.0024 -109380.8294 299.0280 121.9282 151.1750 759611.7380 -5.7892 -5.7558 PRESSURE: 4402200 115.27 81.7919 -154.831 81.7915 -149.031 197.905 -154.831 197.904 320.908 GPRESSURE: 4402200 171.627 188.033 -114.981 -52.6506 -110.976 130.086 -242.908 202.05 312.254 PRESSAVG: 4402200 107.951 17.1583 41.77 17.1583 -86.6374 18.4172 41.7699 18.4172 -6.56027 GPRESSAVG: 4402200 108.875 16.9682 43.3584 16.7751 -87.5727 19.3751 40.734 16.5369 -5.18142 TIMING: 4402200 CPU: 14228.4, 0.00314783/step Wall: 14228.4, 0.00314783/step, 0.522715 hours remaining, 235.937500 MB of memory in use. ENERGY: 4402200 4000.3057 20539.9998 14481.1017 255.4791 -203670.2047 2628.5363 0.0000 0.0000 52164.1148 -109600.6674 299.7879 -161764.7822 -109238.1484 298.9612 95.7161 124.3016 760912.4220 4.9177 5.3735 PRESSURE: 4402400 -11.9407 27.0715 28.2371 27.0703 -53.4382 38.6368 28.2363 38.6359 147.122 GPRESSURE: 4402400 6.93857 -24.5071 -25.2626 163.184 -80.9193 105.881 5.39108 14.7436 236.032 PRESSAVG: 4402400 36.1855 5.50834 23.3743 5.50829 -51.5901 -44.8811 23.3744 -44.8811 14.0414 GPRESSAVG: 4402400 35.1321 3.90768 21.8971 7.09989 -50.552 -44.31 24.6873 -41.5351 14.2827 TIMING: 4402400 CPU: 14229, 0.00314033/step Wall: 14229, 0.00314033/step, 0.521296 hours remaining, 235.937500 MB of memory in use. ENERGY: 4402400 3994.7157 20564.0977 14508.5237 251.7983 -203333.9593 2583.3835 0.0000 0.0000 51894.2669 -109537.1734 298.2371 -161431.4404 -109172.9784 299.0359 27.2478 54.0169 762608.0397 -0.4544 -0.3791 PRESSURE: 4402600 200.24 13.8914 22.6854 13.8909 143.902 -82.9678 22.6853 -82.9688 201.525 GPRESSURE: 4402600 290.305 -16.6405 36.8029 159.239 190.766 -82.1428 -48.2106 -137.052 153.119 PRESSAVG: 4402600 28.5334 0.53041 -3.12803 0.530356 -27.1664 -51.7197 -3.12806 -51.7197 -10.7421 GPRESSAVG: 4402600 29.5238 2.61079 -1.93599 -1.18144 -26.4304 -51.7672 -6.70725 -54.7157 -12.2868 TIMING: 4402600 CPU: 14229.7, 0.0031433/step Wall: 14229.7, 0.0031433/step, 0.521614 hours remaining, 235.937500 MB of memory in use. ENERGY: 4402600 3938.1149 20394.5198 14359.9331 245.1977 -203192.6498 2482.9748 0.0000 0.0000 52100.6751 -109671.2344 299.4233 -161771.9095 -109315.3699 298.6002 181.8891 211.3969 761678.7682 -3.1250 -3.0645 PRESSURE: 4402800 345.676 89.4661 -28.5994 89.4653 59.3281 -37.6043 -28.5991 -37.605 -146.974 GPRESSURE: 4402800 386.879 67.6161 -81.3267 50.5326 92.9263 -7.99308 82.5914 -242.799 -140.389 PRESSAVG: 4402800 36.0683 -12.4417 31.7906 -12.4418 -39.2327 5.45882 31.7906 5.45884 7.38102 GPRESSAVG: 4402800 35.9577 -15.6423 32.4114 -11.1046 -40.1451 4.5634 32.9592 7.4164 8.81816 TIMING: 4402800 CPU: 14230.3, 0.00311663/step Wall: 14230.3, 0.00311663/step, 0.517015 hours remaining, 235.937500 MB of memory in use. ENERGY: 4402800 3972.1265 20661.9195 14398.2166 276.3965 -203710.6542 2782.9158 0.0000 0.0000 52170.5338 -109448.5454 299.8248 -161619.0792 -109078.6704 299.2839 86.0101 113.1387 761630.7897 1.4056 1.5436 PRESSURE: 4403000 90.427 0.207561 84.8213 0.206977 -205.445 -309.625 84.8211 -309.625 147.883 GPRESSURE: 4403000 208.608 6.12205 13.8392 -8.38148 -148.9 -365.334 45.5289 -231.111 86.6069 PRESSAVG: 4403000 67.4909 -7.13332 7.60797 -7.13328 -36.5303 -17.7153 7.60801 -17.7153 10.8139 GPRESSAVG: 4403000 67.6535 -6.30941 6.30469 -8.23494 -36.8348 -17.0888 8.71506 -18.121 11.2346 TIMING: 4403000 CPU: 14230.9, 0.00314959/step Wall: 14230.9, 0.00314959/step, 0.522306 hours remaining, 235.937500 MB of memory in use. ENERGY: 4403000 3977.6244 20554.1700 14449.0400 239.9045 -203593.9639 2636.0520 0.0000 0.0000 52153.3095 -109583.8636 299.7258 -161737.1731 -109227.2234 299.6706 10.9550 48.7716 760859.8463 13.9248 14.0178 PRESSURE: 4403200 -147.626 -25.1091 43.7235 -25.1081 35.1889 17.1123 43.7244 17.1117 -549.616 GPRESSURE: 4403200 -38.0265 70.8032 -30.3815 -75.8684 -32.5724 5.77164 141.154 19.7433 -523.313 PRESSAVG: 4403200 93.9237 -14.4467 25.8704 -14.4467 -81.7854 -40.8845 25.8704 -40.8846 -29.0261 GPRESSAVG: 4403200 94.6789 -13.5367 27.8551 -13.4228 -81.769 -41.3865 22.2925 -40.2497 -30.1506 TIMING: 4403200 CPU: 14231.6, 0.00313608/step Wall: 14231.6, 0.00313608/step, 0.519892 hours remaining, 235.937500 MB of memory in use. ENERGY: 4403200 4002.7697 20727.8940 14432.1753 236.3494 -203227.8684 2434.7445 0.0000 0.0000 51896.5683 -109497.3672 298.2503 -161393.9354 -109143.5229 298.9402 -220.6843 -197.9705 761553.5226 -5.6293 -5.7469 PRESSURE: 4403400 321.83 156.248 110.542 156.248 -353.117 95.5832 110.542 95.5827 365.01 GPRESSURE: 4403400 324.455 124.699 164.726 188.778 -255.917 20.6785 52.684 90.0619 332.67 PRESSAVG: 4403400 67.421 7.30012 -2.33535 7.30016 -49.7727 -8.83876 -2.33536 -8.83887 16.6376 GPRESSAVG: 4403400 66.0994 7.05901 -2.73955 8.25844 -49.4552 -8.68519 0.17427 -9.45396 17.5643 TIMING: 4403400 CPU: 14232.2, 0.00314021/step Wall: 14232.2, 0.00314021/step, 0.520403 hours remaining, 235.937500 MB of memory in use. ENERGY: 4403400 3975.5462 20451.5131 14483.1288 245.3073 -203362.7592 2513.6632 0.0000 0.0000 52036.9879 -109656.6126 299.0573 -161693.6005 -109284.3809 299.1232 111.2410 133.7359 760227.0242 11.4286 11.4028 PRESSURE: 4403600 -191.529 -146.448 79.0801 -146.448 -336.525 89.8307 79.0796 89.8321 59.4393 GPRESSURE: 4403600 -99.7682 -81.409 113.352 -139.23 -327.821 94.325 110.132 52.8446 62.6695 PRESSAVG: 4403600 21.6457 13.7539 -12.7885 13.7538 -26.5174 -8.94363 -12.7885 -8.94363 -11.8042 GPRESSAVG: 4403600 22.1794 13.1013 -14.2521 11.9652 -27.6365 -9.35886 -15.577 -6.87347 -11.229 TIMING: 4403600 CPU: 14232.8, 0.0031551/step Wall: 14232.8, 0.0031551/step, 0.522695 hours remaining, 235.937500 MB of memory in use. ENERGY: 4403600 4042.0028 20498.5860 14463.3233 243.9031 -203592.6534 2582.6378 0.0000 0.0000 51952.4910 -109809.7094 298.5717 -161762.2004 -109447.6784 298.8170 -156.2047 -121.6400 761087.7312 -5.5586 -5.5620 PRESSURE: 4403800 -530.93 -62.0699 51.2202 -62.0696 -71.6457 -144.424 51.2214 -144.423 -521.198 GPRESSURE: 4403800 -443.327 43.7113 15.8451 21.6007 -69.3775 -153.077 131.036 -116.667 -526.418 PRESSAVG: 4403800 28.3993 -8.92602 34.8698 -8.92595 30.3667 63.879 34.8699 63.879 -1.01342 GPRESSAVG: 4403800 27.5128 -8.75415 35.9915 -7.6749 31.8875 65.4663 39.3163 62.6851 -1.72223 TIMING: 4403800 CPU: 14233.4, 0.00314467/step Wall: 14233.4, 0.00314466/step, 0.520791 hours remaining, 235.937500 MB of memory in use. ENERGY: 4403800 3996.3663 20536.1277 14440.1132 254.3069 -203154.3140 2259.2897 0.0000 0.0000 52007.1537 -109660.9564 298.8858 -161668.1102 -109300.1340 298.9645 -374.5912 -346.3740 761687.7087 19.2509 19.2260 PRESSURE: 4404000 -33.3036 107.219 101.893 107.22 -229.153 -25.0277 101.893 -25.0278 -313.258 GPRESSURE: 4404000 -64.4355 30.425 109.133 -45.3831 -148.037 -18.5452 -73.0497 -57.7612 -290.617 PRESSAVG: 4404000 25.7771 67.0845 17.4552 67.0845 -18.1735 3.66377 17.4552 3.66378 -1.27431 GPRESSAVG: 4404000 26.4769 67.9766 17.6134 65.8519 -18.6379 2.26404 13.7954 4.36228 -1.6057 TIMING: 4404000 CPU: 14234.1, 0.00312783/step Wall: 14234.1, 0.00312783/step, 0.517829 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4404000 4100.4098 20627.6838 14457.1489 235.2358 -203269.2373 2400.6782 0.0000 0.0000 51848.4058 -109599.6750 297.9735 -161448.0808 -109242.8742 298.9979 -191.9050 -167.6964 762414.0323 2.1098 2.0778 PRESSURE: 4404200 145.039 -165.089 -180.488 -165.089 51.545 -61.6257 -180.488 -61.6267 8.49666 GPRESSURE: 4404200 209.714 -165.726 -159.631 -128.993 21.086 -160.248 17.0985 52.3629 32.8856 PRESSAVG: 4404200 58.5067 0.504165 36.8727 0.504193 -56.8991 -43.4075 36.8726 -43.4075 -19.0049 GPRESSAVG: 4404200 59.0599 1.66001 35.1218 1.12282 -57.3684 -42.7662 38.6286 -44.4548 -19.2107 TIMING: 4404200 CPU: 14234.7, 0.00315022/step Wall: 14234.7, 0.00315022/step, 0.521361 hours remaining, 235.937500 MB of memory in use. ENERGY: 4404200 4026.9582 20606.1167 14436.6041 232.5852 -203991.9344 2945.4954 0.0000 0.0000 52062.7573 -109681.4174 299.2054 -161744.1747 -109323.7126 298.9120 68.3602 87.8952 760635.5434 -5.7991 -5.8397 LDB: ============= START OF LOAD BALANCING ============== 14247.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14247.1 LDB: =============== DONE WITH MIGRATION ================ 14247.1 LDB: ============= START OF LOAD BALANCING ============== 14247.4 LDB: Largest compute 7064 load 0.033766 is 17.3% of average load 0.195562 LDB: Average compute 0.004387 is 2.2% of average load 0.195562 LDB: TIME 14247.4 LOAD: AVG 0.195562 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.969 MB LDB: TIME 14247.4 LOAD: AVG 0.195562 MAX 0.214615 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 14247.4 LOAD: AVG 0.195562 MAX 0.214615 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 14247.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14247.4 PRESSURE: 4404400 158.005 -71.8628 137.648 -71.862 136.681 -75.6235 137.649 -75.6232 -404.637 GPRESSURE: 4404400 188.094 -22.4683 190.197 2.82005 226.853 25.0354 8.96583 -118.778 -430.813 PRESSAVG: 4404400 46.3455 -45.6583 11.3476 -45.6582 -70.8623 -23.0244 11.3477 -23.0244 9.76305 GPRESSAVG: 4404400 45.09 -45.8429 15.6668 -44.0624 -69.9598 -21.7101 9.86841 -22.7873 9.65735 TIMING: 4404400 CPU: 14235.3, 0.00318649/step Wall: 14235.3, 0.00318649/step, 0.527188 hours remaining, 235.652344 MB of memory in use. ENERGY: 4404400 4013.4707 20453.2169 14429.3781 251.9478 -203729.0758 2740.1826 0.0000 0.0000 52349.3055 -109491.5741 300.8522 -161840.8796 -109113.8901 299.3878 -36.6503 -5.2887 761470.2587 -4.9179 -5.0708 PRESSURE: 4404600 108.191 132.065 -97.1861 132.065 34.2484 50.3873 -97.1859 50.3872 125.809 GPRESSURE: 4404600 135.555 69.5508 -127.344 197.362 120.353 4.846 44.0904 -40.3851 116.658 PRESSAVG: 4404600 48.1443 18.7369 -3.70686 18.7369 -21.9135 -91.831 -3.70688 -91.831 0.789451 GPRESSAVG: 4404600 48.1867 15.625 -5.72512 18.8111 -22.0502 -94.0292 -2.85848 -91.4176 1.02012 TIMING: 4404600 CPU: 14236, 0.00311431/step Wall: 14236, 0.00311431/step, 0.515072 hours remaining, 235.910156 MB of memory in use. ENERGY: 4404600 3985.3017 20582.8374 14379.9352 260.5201 -203744.3853 2798.9269 0.0000 0.0000 52557.2524 -109179.6115 302.0473 -161736.8639 -108815.0172 299.8716 89.4160 124.1885 762682.7498 9.0067 9.0522 PRESSURE: 4404800 -109.253 -40.4158 -134.239 -40.4155 333.173 -45.7489 -134.24 -45.7479 -33.5253 GPRESSURE: 4404800 58.7699 9.78603 -132.916 -43.8491 292.543 -78.2907 -120.287 15.4088 -94.6159 PRESSAVG: 4404800 69.1641 -1.54766 6.23147 -1.54767 -40.7675 -44.9015 6.2315 -44.9015 -25.3784 GPRESSAVG: 4404800 70.9017 0.6508 6.57119 -1.34929 -42.5009 -46.0445 4.92538 -45.7748 -25.3715 TIMING: 4404800 CPU: 14236.6, 0.00311568/step Wall: 14236.6, 0.00311568/step, 0.515126 hours remaining, 235.910156 MB of memory in use. ENERGY: 4404800 4085.1963 20784.1752 14440.4163 239.9833 -203347.5353 2631.2090 0.0000 0.0000 51899.6542 -109266.9010 298.2680 -161166.5553 -108910.4613 300.0590 63.4651 85.5656 761103.0447 1.0061 1.0098 PRESSURE: 4405000 0.266936 28.872 167.184 28.8726 -342.394 60.9626 167.184 60.9627 -327.654 GPRESSURE: 4405000 -88.4993 101.135 -37.2906 -30.0059 -247.162 27.1817 218.297 101.752 -248.664 PRESSAVG: 4405000 53.5559 -10.137 1.7679 -10.137 -71.0204 -48.9642 1.7679 -48.9641 3.38507 GPRESSAVG: 4405000 52.1464 -8.87693 1.04577 -12.3158 -68.7507 -47.8733 3.8516 -47.6337 2.52171 TIMING: 4405000 CPU: 14237.2, 0.00314308/step Wall: 14237.2, 0.00314308/step, 0.519482 hours remaining, 235.910156 MB of memory in use. ENERGY: 4405000 4113.5935 20617.5001 14504.4648 242.7955 -203384.1982 2451.5849 0.0000 0.0000 52225.1367 -109229.1228 300.1386 -161454.2595 -108864.9485 299.7998 -223.2604 -194.7748 760247.4596 -4.6931 -4.6942 PRESSURE: 4405200 -117.621 147.905 27.8402 147.905 -94.595 31.6469 27.84 31.6461 -97.7839 GPRESSURE: 4405200 -46.7354 41.6279 29.7007 26.5278 -90.3605 -19.0425 63.2727 -6.8962 -91.6199 PRESSAVG: 4405200 42.2077 -24.8497 0.542717 -24.8497 -20.7489 -7.79935 0.542786 -7.79936 35.6762 GPRESSAVG: 4405200 40.3341 -25.7326 2.32441 -22.2031 -19.7779 -7.74697 -0.384396 -8.94931 36.9143 TIMING: 4405200 CPU: 14237.8, 0.00312261/step Wall: 14237.8, 0.00312261/step, 0.515924 hours remaining, 235.910156 MB of memory in use. ENERGY: 4405200 4032.3732 20689.5218 14486.4541 244.4884 -203226.1164 2393.1124 0.0000 0.0000 52148.3081 -109231.8584 299.6970 -161380.1664 -108863.8741 299.6962 -103.3334 -76.2386 760925.5724 19.0450 19.1568 PRESSURE: 4405400 38.1513 131.962 167.537 131.963 -83.9962 -24.2867 167.537 -24.286 169.068 GPRESSURE: 4405400 39.0572 80.2497 230.722 51.2977 63.2181 132.434 136.678 56.5639 124.67 PRESSAVG: 4405400 33.1658 -5.45673 34.6936 -5.45675 -20.6407 -61.7925 34.6936 -61.7926 11.2792 GPRESSAVG: 4405400 35.0358 -5.27285 31.8141 -7.15612 -20.8331 -62.2846 34.45 -61.789 9.76894 TIMING: 4405400 CPU: 14238.5, 0.0031313/step Wall: 14238.5, 0.0031313/step, 0.517186 hours remaining, 235.910156 MB of memory in use. ENERGY: 4405400 4025.4898 20721.4112 14515.7290 249.3306 -203571.1633 2701.2952 0.0000 0.0000 52041.2967 -109316.6108 299.0820 -161357.9075 -108954.1684 300.1483 41.0744 75.6484 759724.8172 7.9347 7.9906 PRESSURE: 4405600 -351.778 98.327 60.7085 98.3268 -224.979 375.127 60.709 375.127 -41.5107 GPRESSURE: 4405600 -203.66 79.0837 49.9901 123.595 -319.519 359.085 26.1466 356.673 5.73868 PRESSAVG: 4405600 -3.11165 20.4699 -8.79456 20.47 31.9855 -12.8851 -8.79464 -12.8852 -1.80919 GPRESSAVG: 4405600 -2.50353 19.4467 -6.32453 20.6162 30.2613 -13.1268 -11.5132 -11.6188 -0.701562 TIMING: 4405600 CPU: 14239.1, 0.00315962/step Wall: 14239.1, 0.00315962/step, 0.521688 hours remaining, 235.910156 MB of memory in use. ENERGY: 4405600 3995.9982 20683.8588 14461.8204 242.5870 -203319.2875 2350.9248 0.0000 0.0000 52169.0133 -109415.0850 299.8160 -161584.0983 -109059.8347 299.8616 -206.0894 -172.4802 761048.6699 9.0216 9.0187 PRESSURE: 4405800 67.4503 -14.114 -136.737 -14.1146 194.602 -110.18 -136.737 -110.181 495.923 GPRESSURE: 4405800 75.9944 73.9765 -142.101 -10.5394 229.927 -13.8784 -170.441 -201.848 530.232 PRESSAVG: 4405800 31.8113 52.5027 3.27029 52.5027 -50.3861 5.0812 3.27035 5.08115 -24.0021 GPRESSAVG: 4405800 30.9316 51.7631 1.18776 53.769 -48.9499 6.3537 4.12801 5.22614 -24.7309 TIMING: 4405800 CPU: 14239.7, 0.00316639/step Wall: 14239.7, 0.00316639/step, 0.52263 hours remaining, 235.910156 MB of memory in use. ENERGY: 4405800 4068.0198 20572.7868 14473.0755 262.7546 -203813.1834 2853.3988 0.0000 0.0000 52215.3630 -109367.7850 300.0824 -161583.1480 -109011.1339 300.0313 252.6584 278.7180 758782.2019 -14.1923 -14.2497 PRESSURE: 4406000 -207.897 66.0934 -119.767 66.0931 -186.923 79.5324 -119.768 79.5326 -317.568 GPRESSURE: 4406000 -241.775 44.4718 -245.991 113.68 -90.3499 55.6914 63.8338 24.8245 -268.471 PRESSAVG: 4406000 14.6334 7.26359 -0.756638 7.26349 3.66566 -12.5411 -0.756656 -12.5411 -24.7861 GPRESSAVG: 4406000 15.9527 7.71382 -0.289238 6.1847 2.31617 -13.0424 1.4923 -13.4346 -23.6252 TIMING: 4406000 CPU: 14240.4, 0.00315774/step Wall: 14240.4, 0.00315774/step, 0.521026 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4406000 4043.8950 20608.3009 14326.7352 256.8035 -203185.2712 2293.2931 0.0000 0.0000 52401.2343 -109255.0093 301.1506 -161656.2435 -108887.4309 300.0255 -237.4626 -200.1986 762729.7823 -2.1623 -1.7854 PRESSURE: 4406200 -175.159 154.381 -17.748 154.381 -225.509 -127.379 -17.7479 -127.377 -253.707 GPRESSURE: 4406200 -82.3242 103.613 -72.5976 208.347 -179.001 -151.016 -21.4189 -144.689 -304.183 PRESSAVG: 4406200 32.706 44.3338 -30.7083 44.3337 28.3147 -40.6975 -30.7084 -40.6975 -6.322 GPRESSAVG: 4406200 31.3622 46.5104 -29.8186 42.9942 29.4047 -39.9198 -31.6542 -40.6643 -5.53083 TIMING: 4406200 CPU: 14241, 0.00314898/step Wall: 14241, 0.00314898/step, 0.519407 hours remaining, 235.910156 MB of memory in use. ENERGY: 4406200 3998.7238 20536.8837 14421.8767 223.9959 -203371.8719 2660.0261 0.0000 0.0000 52309.7253 -109220.6403 300.6247 -161530.3656 -108860.0670 299.7447 -218.1253 -188.5027 762656.7940 18.2329 18.4120 PRESSURE: 4406400 -177.902 -21.5864 -162.502 -21.5876 13.9479 -49.0071 -162.502 -49.0077 161.074 GPRESSURE: 4406400 -83.6745 -25.2852 -124.553 -60.5123 45.7974 -82.1396 -48.156 -100.846 108.826 PRESSAVG: 4406400 -6.24131 16.5556 5.76889 16.5556 3.24482 -36.5971 5.76888 -36.5971 18.5384 GPRESSAVG: 4406400 -5.3185 16.752 4.58161 16.8631 2.73376 -36.616 7.0791 -35.4124 17.1537 TIMING: 4406400 CPU: 14241.6, 0.00315541/step Wall: 14241.6, 0.00315541/step, 0.520292 hours remaining, 235.910156 MB of memory in use. ENERGY: 4406400 3972.2354 20429.0755 14465.6771 252.7450 -203271.0303 2718.9789 0.0000 0.0000 52271.7380 -109160.5803 300.4064 -161432.3183 -108796.6527 299.6934 -0.9599 23.6495 760921.7266 5.1806 4.8563 PRESSURE: 4406600 418.11 288.713 41.1912 288.712 556.283 -18.9982 41.1912 -18.9985 -186.796 GPRESSURE: 4406600 393.564 193.857 56.9514 265.623 552.516 36.2944 66.7423 -55.479 -74.8238 PRESSAVG: 4406600 50.2003 -15.2018 19.3703 -15.2019 -23.2412 -42.2392 19.3704 -42.2393 12.8376 GPRESSAVG: 4406600 49.3898 -17.0114 19.2648 -13.7194 -22.7806 -42.1204 18.0837 -42.8711 13.2298 TIMING: 4406600 CPU: 14242.3, 0.00316123/step Wall: 14242.3, 0.00316123/step, 0.521076 hours remaining, 235.910156 MB of memory in use. ENERGY: 4406600 3973.2516 20644.1434 14472.0537 235.5981 -203479.2696 2653.5403 0.0000 0.0000 52150.3455 -109350.3369 299.7088 -161500.6825 -108994.2311 299.7792 262.5326 290.4188 759657.5139 13.2656 13.2797 PRESSURE: 4406800 256.192 -91.4267 2.30485 -91.4273 -67.2738 60.9247 2.30434 60.9235 258.462 GPRESSURE: 4406800 305.919 -85.5162 -30.4799 -115.616 -51.8687 60.0828 44.0702 0.463504 271.606 PRESSAVG: 4406800 44.5815 1.10841 -5.382 1.10838 -39.9159 -7.55763 -5.38195 -7.55772 -5.59182 GPRESSAVG: 4406800 45.0592 1.66727 -5.20915 1.11708 -39.6687 -7.87919 -4.29664 -8.77721 -6.20781 TIMING: 4406800 CPU: 14242.9, 0.00312705/step Wall: 14242.9, 0.00312705/step, 0.515268 hours remaining, 235.910156 MB of memory in use. ENERGY: 4406800 3950.9817 20666.9271 14481.7214 255.8037 -203034.4488 2446.0470 0.0000 0.0000 52043.6813 -109189.2867 299.0958 -161232.9679 -108827.6164 299.6064 149.1268 175.2186 761736.5983 -0.3088 -0.2724 PRESSURE: 4407000 8.81261 -97.4657 -130.577 -97.4652 -41.8985 -28.3386 -130.578 -28.3384 -94.0409 GPRESSURE: 4407000 68.1433 -22.1299 -127.55 -118.454 -23.4612 -15.4314 -85.2987 77.9514 -85.3488 PRESSAVG: 4407000 55.994 -1.05457 33.9804 -1.05455 -57.9081 -41.7737 33.9804 -41.7737 -13.9767 GPRESSAVG: 4407000 53.9974 0.810677 34.7052 -2.75366 -57.2089 -44.0593 32.378 -40.436 -12.5728 TIMING: 4407000 CPU: 14243.5, 0.00314157/step Wall: 14243.5, 0.00314157/step, 0.517486 hours remaining, 235.910156 MB of memory in use. ENERGY: 4407000 3950.8005 20479.4351 14384.1947 257.9268 -203133.5330 2599.5845 0.0000 0.0000 52369.1046 -109092.4867 300.9660 -161461.5914 -108716.8351 300.0410 -42.3756 -13.5556 762097.4133 -5.2969 -5.2614 PRESSURE: 4407200 -21.1732 19.1286 -160.628 19.1282 33.2221 -169.809 -160.629 -169.81 -45.5858 GPRESSURE: 4407200 58.2157 57.8905 -221.957 -67.5714 96.583 -126.194 -152.218 -31.2048 -96.6135 PRESSAVG: 4407200 54.0973 6.83708 -49.5407 6.83705 -80.0969 -36.9732 -49.5407 -36.9733 7.84401 GPRESSAVG: 4407200 54.5944 3.99163 -50.3563 8.65105 -79.9076 -36.1782 -48.5942 -37.5503 6.61041 TIMING: 4407200 CPU: 14244.1, 0.00312699/step Wall: 14244.1, 0.00312699/step, 0.514911 hours remaining, 235.910156 MB of memory in use. ENERGY: 4407200 4000.8241 20559.3046 14424.1595 242.4329 -203517.4444 2723.3261 0.0000 0.0000 52382.0434 -109185.3538 301.0403 -161567.3973 -108814.9134 300.2707 -11.1789 19.3950 762451.7244 -6.0519 -6.2343 PRESSURE: 4407400 399.117 50.7746 -28.3463 50.7752 250.642 65.4255 -28.3458 65.4251 -103.472 GPRESSURE: 4407400 314.11 -50.0162 -32.1933 103.086 287.589 84.4033 -46.4623 -28.7832 40.0492 PRESSAVG: 4407400 71.2693 -24.2744 -2.39205 -24.2744 -82.8177 -25.5992 -2.39198 -25.5992 18.3786 GPRESSAVG: 4407400 69.8282 -23.1095 -2.72344 -25.8708 -81.9686 -23.5197 -1.88634 -26.9685 19.6648 TIMING: 4407400 CPU: 14244.8, 0.00314959/step Wall: 14244.8, 0.00314959/step, 0.518457 hours remaining, 235.910156 MB of memory in use. ENERGY: 4407400 3967.3299 20511.6010 14456.7653 239.9062 -203416.7366 2807.9472 0.0000 0.0000 52035.9273 -109397.2598 299.0512 -161433.1871 -109022.9699 299.4546 182.0958 213.9160 762318.4954 2.2767 2.5081 PRESSURE: 4407600 31.2358 -20.3976 10.1388 -20.3962 -61.3911 281.202 10.1392 281.202 -245.774 GPRESSURE: 4407600 71.4477 0.916992 2.24155 -63.5447 -61.4672 228.102 -38.8897 249.012 -214.654 PRESSAVG: 4407600 25.3299 -34.1421 -31.5962 -34.1421 -36.6486 4.40037 -31.5963 4.40035 3.10475 GPRESSAVG: 4407600 26.7778 -34.873 -30.1809 -34.2191 -38.1091 3.29344 -30.602 4.02618 2.69886 TIMING: 4407600 CPU: 14245.4, 0.00316501/step Wall: 14245.4, 0.00316501/step, 0.520819 hours remaining, 235.910156 MB of memory in use. ENERGY: 4407600 4010.2879 20468.3907 14449.0316 258.4749 -203244.3562 2623.2487 0.0000 0.0000 51984.3855 -109450.5369 298.7550 -161434.9224 -109097.8390 299.5133 -91.9765 -68.2244 762508.3352 -2.7380 -2.8775 PRESSURE: 4407800 189.455 37.1569 177.561 37.1567 418.382 -93.2781 177.562 -93.2777 -64.0398 GPRESSURE: 4407800 238.545 7.79976 227.147 5.92781 404.709 -128.61 47.1863 -185.769 -9.71477 PRESSAVG: 4407800 -6.48819 -10.8515 12.8994 -10.8514 -0.273838 -6.58024 12.8994 -6.58029 17.8788 GPRESSAVG: 4407800 -7.32595 -8.76701 12.6604 -8.60894 -0.278464 -7.08409 10.9766 -5.45218 18.7596 TIMING: 4407800 CPU: 14246, 0.00313207/step Wall: 14246, 0.00313207/step, 0.515226 hours remaining, 235.910156 MB of memory in use. ENERGY: 4407800 4053.1713 20339.6084 14514.1259 240.3396 -203912.0544 2928.3181 0.0000 0.0000 52126.1792 -109710.3119 299.5699 -161836.4911 -109344.6362 299.1518 181.2657 211.1799 760471.6245 3.7056 3.7184 PRESSURE: 4408000 86.351 -110.318 -101.551 -110.318 -169.823 -1.75661 -101.551 -1.75655 184.043 GPRESSURE: 4408000 121.487 -161.141 -101.282 -137.575 -168.041 -24.618 29.7781 -34.8009 213.503 PRESSAVG: 4408000 13.6667 -25.0831 -8.95604 -25.0831 -34.2751 21.6391 -8.95607 21.6391 6.85249 GPRESSAVG: 4408000 13.2642 -27.2231 -11.2389 -27.2392 -32.6344 21.5057 -8.09824 22.2854 5.31881 TIMING: 4408000 CPU: 14246.7, 0.00315079/step Wall: 14246.7, 0.00315079/step, 0.51813 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4408000 3836.2792 20592.3563 14480.6495 238.9564 -203313.0183 2510.1358 0.0000 0.0000 51731.1506 -109923.4906 297.2996 -161654.6411 -109560.5874 298.4011 33.5237 55.6496 762013.8601 -4.5853 -4.6838 PRESSURE: 4408200 128.143 -101.496 -118.665 -101.496 55.4472 -1.37238 -118.664 -1.37158 296.772 GPRESSURE: 4408200 193.741 -70.2108 -96.9041 2.26911 64.4017 60.2262 -238.02 35.611 311.784 PRESSAVG: 4408200 27.8323 -11.9604 -15.7242 -11.9604 -9.73443 -22.909 -15.7242 -22.9089 -37.9526 GPRESSAVG: 4408200 29.9431 -11.738 -13.8975 -11.9643 -12.852 -20.8978 -17.056 -22.905 -36.7806 TIMING: 4408200 CPU: 14247.3, 0.00314703/step Wall: 14247.3, 0.00314703/step, 0.517337 hours remaining, 235.910156 MB of memory in use. ENERGY: 4408200 3953.5095 20527.4872 14452.0898 251.9705 -203568.3256 2638.8794 0.0000 0.0000 52028.6435 -109715.7457 299.0093 -161744.3891 -109353.1821 298.4370 160.1209 189.9756 761939.1582 -6.6182 -6.5632 LDB: ============= START OF LOAD BALANCING ============== 14259.7 LDB: ============== END OF LOAD BALANCING =============== 14259.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14259.7 LDB: ============= START OF LOAD BALANCING ============== 14260 LDB: Largest compute 7064 load 0.033489 is 17.1% of average load 0.195574 LDB: Average compute 0.004409 is 2.3% of average load 0.195574 LDB: TIME 14260 LOAD: AVG 0.195574 MAX 0.215387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.465 MB LDB: TIME 14260 LOAD: AVG 0.195574 MAX 0.215387 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 14260 LOAD: AVG 0.195574 MAX 0.215387 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 14260 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14260 PRESSURE: 4408400 72.901 181.315 -5.43863 181.314 93.0645 55.131 -5.43851 55.1292 -26.1222 GPRESSURE: 4408400 154.205 132.321 -41.0719 160.139 133.366 163.112 115.035 194.394 -51.111 PRESSAVG: 4408400 3.03715 -6.61543 17.5325 -6.61544 0.202921 0.761351 17.5325 0.761354 22.9171 GPRESSAVG: 4408400 1.62968 -5.50827 18.5504 -6.15926 1.61938 -0.23792 16.5545 0.263005 23.1348 TIMING: 4408400 CPU: 14247.9, 0.0032318/step Wall: 14247.9, 0.0032318/step, 0.531093 hours remaining, 234.425781 MB of memory in use. ENERGY: 4408400 4005.7732 20512.7456 14503.6261 244.3245 -203425.1581 2689.7360 0.0000 0.0000 51897.4507 -109571.5020 298.2554 -161468.9527 -109213.9156 298.9129 46.6144 78.8199 762069.7845 8.7190 8.7946 PRESSURE: 4408600 -124.78 47.1971 298.988 47.1979 -203.042 -115.159 298.987 -115.159 152.37 GPRESSURE: 4408600 -89.0961 -68.6939 347.529 69.3427 -160.471 -164.101 235.745 -173.548 147.108 PRESSAVG: 4408600 -32.8747 0.565753 41.6245 0.565722 20.6961 -13.691 41.6245 -13.6909 -3.53539 GPRESSAVG: 4408600 -31.8214 0.441785 40.2759 0.551469 20.4441 -14.0542 42.415 -12.7452 -3.99399 TIMING: 4408600 CPU: 14248.6, 0.00316445/step Wall: 14248.6, 0.00316446/step, 0.51985 hours remaining, 234.750000 MB of memory in use. ENERGY: 4408600 3999.7722 20348.7995 14495.2024 250.9392 -203315.8106 2451.4416 0.0000 0.0000 51760.5901 -110009.0655 297.4688 -161769.6556 -109654.8384 298.4411 -58.4841 -34.1528 761427.7931 -5.2380 -5.1237 PRESSURE: 4408800 497.878 -198.097 118.271 -198.097 -196.12 31.9489 118.271 31.9481 86.7239 GPRESSURE: 4408800 506.898 -187.152 126.781 -172.406 -145.644 28.61 126.7 139.026 118.997 PRESSAVG: 4408800 52.5789 -35.8478 73.4508 -35.8478 -57.1077 -9.62605 73.4507 -9.62603 19.395 GPRESSAVG: 4408800 52.0874 -36.06 72.9243 -35.8965 -57.2927 -8.95012 72.187 -10.4412 20.1779 TIMING: 4408800 CPU: 14249.2, 0.00315733/step Wall: 14249.2, 0.00315733/step, 0.518504 hours remaining, 234.750000 MB of memory in use. ENERGY: 4408800 3921.9238 20633.2198 14423.6803 275.7454 -203931.2212 2722.5504 0.0000 0.0000 52013.7708 -109940.3308 298.9239 -161954.1017 -109584.0510 297.8380 129.4940 160.0835 759667.9983 4.9554 4.9909 PRESSURE: 4409000 -357.873 -259.779 184.246 -259.778 -75.5649 -189.753 184.247 -189.753 -17.5597 GPRESSURE: 4409000 -273.804 -105.625 200.597 -268.17 -71.8588 -27.3958 129.887 -247.083 -3.66801 PRESSAVG: 4409000 -5.7801 -43.0186 36.6748 -43.0186 11.4696 29.8279 36.6749 29.8278 -9.93891 GPRESSAVG: 4409000 -6.16962 -41.1911 37.889 -42.7634 12.9019 29.8802 38.0573 29.4 -10.8437 TIMING: 4409000 CPU: 14249.8, 0.00313308/step Wall: 14249.8, 0.00313308/step, 0.514348 hours remaining, 234.750000 MB of memory in use. ENERGY: 4409000 3994.2453 20407.4180 14474.0296 252.8546 -203049.0508 2135.2071 0.0000 0.0000 51818.5931 -109966.7031 297.8022 -161785.2961 -109602.5383 298.3797 -150.3327 -116.4438 759179.7478 -1.4165 -1.3705 PRESSURE: 4409200 239.628 -103.435 21.9959 -103.435 22.3977 285.106 21.9954 285.106 163.949 GPRESSURE: 4409200 333.454 -241.976 -139.119 -134.206 43.1184 279.863 -55.0968 226.513 150.444 PRESSAVG: 4409200 -12.3394 -23.8219 25.6579 -23.8219 -28.7555 30.7163 25.6579 30.7163 -2.00444 GPRESSAVG: 4409200 -11.1045 -26.0861 25.0944 -21.818 -30.6501 30.0731 27.4259 30.2679 -1.29431 TIMING: 4409200 CPU: 14250.4, 0.00312823/step Wall: 14250.4, 0.00312823/step, 0.513377 hours remaining, 234.750000 MB of memory in use. ENERGY: 4409200 4030.8611 20221.9797 14426.1523 265.7952 -204013.9386 2908.7008 0.0000 0.0000 51809.5547 -110350.8949 297.7502 -162160.4495 -109990.2396 297.9210 141.9918 175.6720 758879.8692 -14.3665 -14.3496 PRESSURE: 4409400 511.84 92.1185 -56.1314 92.1188 20.5203 116.952 -56.1308 116.952 89.7506 GPRESSURE: 4409400 445.068 77.7695 -34.8277 29.3506 70.2908 212.634 9.69417 19.7121 185.026 PRESSAVG: 4409400 -0.555714 -43.8324 46.5895 -43.8324 31.6597 71.221 46.5895 71.221 18.252 GPRESSAVG: 4409400 -2.07749 -44.9946 47.402 -44.3468 32.3851 70.6586 45.4268 71.4497 18.7963 TIMING: 4409400 CPU: 14251.1, 0.00313327/step Wall: 14251.1, 0.00313327/step, 0.514031 hours remaining, 234.750000 MB of memory in use. ENERGY: 4409400 3877.9862 20588.6256 14458.3518 228.7423 -203444.9975 2568.9251 0.0000 0.0000 51387.2253 -110335.1412 295.3231 -161722.3665 -109972.0749 297.2987 207.3704 233.4615 759078.3419 16.4520 16.3680 PRESSURE: 4409600 29.891 -63.3749 -46.0687 -63.3748 61.3413 127.451 -46.0677 127.451 46.5015 GPRESSURE: 4409600 86.7939 -101.153 4.89643 -39.4075 72.9176 66.3168 44.6305 105.723 68.6442 PRESSAVG: 4409600 114.125 1.49345 11.5412 1.49341 -99.8955 -1.48554 11.5411 -1.48552 1.68369 GPRESSAVG: 4409600 116.006 2.68945 11.8799 -0.644829 -100.836 -3.05362 11.6182 0.589181 0.848463 TIMING: 4409600 CPU: 14251.7, 0.00313706/step Wall: 14251.7, 0.00313706/step, 0.514478 hours remaining, 234.820312 MB of memory in use. ENERGY: 4409600 3952.8335 20394.4924 14369.7904 242.6190 -203801.0221 2587.5231 0.0000 0.0000 51909.4467 -110344.3171 298.3243 -162253.7638 -109975.5581 297.1277 45.9113 76.1185 758903.4771 5.3043 5.3397 PRESSURE: 4409800 2.0611 -128.01 -10.9523 -128.011 -162.655 74.0034 -10.9524 74.0027 186.411 GPRESSURE: 4409800 34.4666 -50.3388 -141.368 -35.8362 -146.422 166.673 47.1881 60.2724 218.454 PRESSAVG: 4409800 83.9655 3.81914 -5.55602 3.8191 -53.8087 55.6293 -5.55604 55.6293 -3.5338 GPRESSAVG: 4409800 84.1462 5.0765 -8.89215 4.20767 -53.9662 57.5846 -4.19179 53.0121 -3.72169 TIMING: 4409800 CPU: 14252.3, 0.00316166/step Wall: 14252.3, 0.00316166/step, 0.518337 hours remaining, 234.820312 MB of memory in use. ENERGY: 4409800 3971.8660 20498.2865 14437.7417 230.8491 -203689.1944 2493.4290 0.0000 0.0000 51760.7182 -110296.3039 297.4696 -162057.0222 -109930.6608 297.0276 8.6057 35.4995 760758.7207 8.8743 8.8194 PRESSURE: 4410000 -178.097 -26.2996 -39.5437 -26.2999 -35.5314 -16.1456 -39.5434 -16.1461 -113.311 GPRESSURE: 4410000 -147.41 -128.591 72.7333 -6.87946 -49.2139 -22.5129 -133.648 -31.8337 -47.9986 PRESSAVG: 4410000 39.1657 -50.6811 -57.1267 -50.6811 -54.3479 20.8261 -57.1267 20.826 -10.2826 GPRESSAVG: 4410000 36.5669 -51.7808 -54.1379 -49.4956 -52.1517 19.8754 -58.8491 22.8908 -10.1367 TIMING: 4410000 CPU: 14253, 0.00316158/step Wall: 14253, 0.00316158/step, 0.518148 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4410000 3928.7150 20514.8216 14340.8096 272.2560 -203443.2382 2528.0083 0.0000 0.0000 51729.7010 -110128.9267 297.2913 -161858.6277 -109765.1252 297.1650 -108.9799 -81.5407 761954.4253 -8.4883 -8.5738 PRESSURE: 4410200 -157.583 -28.1989 -18.293 -28.1992 -278.607 110.973 -18.2929 110.974 13.2879 GPRESSURE: 4410200 -67.0799 76.4153 -22.0827 27.4904 -235.888 86.9738 -78.9321 23.9761 -38.3006 PRESSAVG: 4410200 70.46 33.272 6.75525 33.2719 -43.9475 -16.6139 6.75528 -16.6138 16.8968 GPRESSAVG: 4410200 71.2221 32.7846 6.86312 32.7829 -44.2172 -17.1459 5.84865 -16.1005 16.1867 TIMING: 4410200 CPU: 14253.6, 0.00313756/step Wall: 14253.6, 0.00313756/step, 0.514037 hours remaining, 234.820312 MB of memory in use. ENERGY: 4410200 3912.3239 20514.5474 14373.9959 260.3589 -203338.8360 2418.3449 0.0000 0.0000 51835.3838 -110023.8812 297.8987 -161859.2650 -109679.9249 297.7943 -140.9673 -113.7562 761762.2847 14.4698 14.3972 PRESSURE: 4410400 -13.7458 -71.3047 166.958 -71.305 69.4312 185.637 166.957 185.636 180.139 GPRESSURE: 4410400 -40.612 -41.5258 135.784 -108.356 102.512 193.928 96.5629 136.144 258.983 PRESSAVG: 4410400 26.1374 14.8951 39.7314 14.8951 -45.0832 -4.6895 39.7315 -4.68942 -43.6745 GPRESSAVG: 4410400 25.4807 15.2618 39.7186 14.0267 -45.0564 -3.55204 40.9867 -8.08937 -42.7808 TIMING: 4410400 CPU: 14254.2, 0.00313317/step Wall: 14254.2, 0.00313317/step, 0.513144 hours remaining, 234.820312 MB of memory in use. ENERGY: 4410400 3967.9915 20388.7848 14395.1221 269.5882 -203744.2779 2691.9671 0.0000 0.0000 51905.1014 -110125.7226 298.2993 -162030.8240 -109759.1401 297.8048 78.6083 106.9610 761188.8846 -20.8735 -20.7855 PRESSURE: 4410600 68.7484 -182.748 -10.7147 -182.749 36.3362 -50.2099 -10.7148 -50.211 269.379 GPRESSURE: 4410600 92.3911 -216.26 13.935 -193.755 109.085 -9.30155 -20.0671 -29.0725 253.322 PRESSAVG: 4410600 5.39118 -26.034 33.5026 -26.034 -29.4763 -10.3842 33.5025 -10.3842 2.37356 GPRESSAVG: 4410600 5.05597 -25.3232 33.7533 -25.834 -29.7147 -10.6125 32.6663 -8.81011 2.6049 TIMING: 4410600 CPU: 14254.8, 0.00311404/step Wall: 14254.8, 0.00311404/step, 0.509837 hours remaining, 234.820312 MB of memory in use. ENERGY: 4410600 3887.7212 20437.2086 14421.1964 254.6480 -203628.3142 2676.0240 0.0000 0.0000 51740.1393 -110211.3767 297.3513 -161951.5160 -109851.7134 297.4482 124.8212 151.5994 760521.3481 -7.2372 -7.3513 PRESSURE: 4410800 70.7062 -204.651 -78.2943 -204.651 129.955 -58.1779 -78.2938 -58.1781 345.157 GPRESSURE: 4410800 107.645 -339.472 -29.5975 -220.985 166.733 -141.495 10.5246 -63.4948 362.711 PRESSAVG: 4410800 29.1283 0.244799 -7.63018 0.244869 2.14582 38.5645 -7.63018 38.5646 5.99373 GPRESSAVG: 4410800 29.7706 -0.630541 -9.38298 1.09516 2.61798 38.8892 -7.01021 38.3664 5.1954 TIMING: 4410800 CPU: 14255.5, 0.0031213/step Wall: 14255.5, 0.0031213/step, 0.510852 hours remaining, 234.820312 MB of memory in use. ENERGY: 4410800 3948.2910 20372.4849 14414.0288 257.5125 -203643.4898 2687.6804 0.0000 0.0000 52018.6945 -109944.7978 298.9522 -161963.4922 -109584.1502 297.8737 181.9394 212.3631 761780.2996 12.4226 12.5280 PRESSURE: 4411000 107.287 10.7392 52.3352 10.7392 153.024 -73.2426 52.335 -73.2426 270.254 GPRESSURE: 4411000 104.339 9.154 79.4937 25.1223 196.859 -60.9593 76.1749 -129.075 306.378 PRESSAVG: 4411000 -7.52758 -50.7878 19.5497 -50.7878 -28.0673 -15.0588 19.5497 -15.0588 -15.9317 GPRESSAVG: 4411000 -7.07123 -51.4049 20.1147 -49.4166 -27.3219 -12.9875 20.78 -15.3115 -17.3267 TIMING: 4411000 CPU: 14256.1, 0.00313177/step Wall: 14256.1, 0.00313177/step, 0.512393 hours remaining, 234.820312 MB of memory in use. ENERGY: 4411000 3958.1720 20318.4354 14474.9097 238.6285 -203413.6140 2668.3076 0.0000 0.0000 52018.2999 -109736.8610 298.9499 -161755.1609 -109369.9936 298.2254 176.8554 202.5253 760890.5523 -17.1755 -17.2400 PRESSURE: 4411200 -106.376 -150.394 40.7127 -150.395 18.6121 -69.3366 40.7134 -69.3369 98.8382 GPRESSURE: 4411200 -104.367 -112.57 48.7597 -250.327 72.4037 -115.397 -30.9267 -32.8983 144.022 PRESSAVG: 4411200 0.479854 -0.359577 4.43114 -0.359503 38.5545 -15.3793 4.43105 -15.3793 -3.10813 GPRESSAVG: 4411200 -0.402212 1.13722 4.85413 -2.19382 37.4031 -17.5073 3.5404 -13.5372 -1.49424 TIMING: 4411200 CPU: 14256.7, 0.00310318/step Wall: 14256.7, 0.00310318/step, 0.507543 hours remaining, 234.820312 MB of memory in use. ENERGY: 4411200 3998.1981 20366.3435 14413.0097 249.7133 -203364.5765 2463.9537 0.0000 0.0000 52207.8495 -109665.5087 300.0392 -161873.3582 -109304.5437 299.0834 3.6913 37.3528 761398.4834 11.9754 11.8356 PRESSURE: 4411400 120.676 15.7668 -174.969 15.7664 -322.822 75.3218 -174.969 75.3203 -174.229 GPRESSURE: 4411400 120.975 29.5988 -229.697 57.5656 -253.697 71.5701 -183.61 -41.5546 -163.202 PRESSAVG: 4411400 -13.5994 27.2708 -17.6414 27.2708 -8.55314 41.5896 -17.6415 41.5897 8.18866 GPRESSAVG: 4411400 -13.4174 25.731 -16.3678 27.4249 -7.74874 41.3562 -17.3983 40.2621 7.51566 TIMING: 4411400 CPU: 14257.3, 0.00312771/step Wall: 14257.3, 0.00312771/step, 0.511381 hours remaining, 234.890625 MB of memory in use. ENERGY: 4411400 3904.5482 20580.9516 14539.8518 245.9466 -203598.3381 2610.6189 0.0000 0.0000 51908.3497 -109808.0714 298.3180 -161716.4211 -109448.6326 299.0527 -125.4584 -98.6413 760862.2781 -4.6546 -4.5501 PRESSURE: 4411600 643.37 27.6594 212.922 27.6592 -53.9142 -14.005 212.922 -14.0053 -194.859 GPRESSURE: 4411600 627.515 -6.99259 231.053 88.0776 21.6981 102.907 261.721 94.759 -164.01 PRESSAVG: 4411600 27.2808 34.2003 19.7782 34.2003 -1.83162 -27.0063 19.7781 -27.0062 1.72231 GPRESSAVG: 4411600 27.4506 35.2464 17.5974 34.5417 -2.55348 -25.911 20.0209 -28.959 1.85043 TIMING: 4411600 CPU: 14258, 0.00312247/step Wall: 14258, 0.00312247/step, 0.510351 hours remaining, 234.890625 MB of memory in use. ENERGY: 4411600 3983.8066 20569.0461 14518.0656 240.6895 -203567.7448 2600.5366 0.0000 0.0000 52115.4387 -109540.1617 299.5081 -161655.6003 -109185.6805 299.1537 131.5321 161.7344 759767.4653 9.0572 8.9158 PRESSURE: 4411800 19.3203 44.7415 -182.011 44.7419 24.9985 -237.733 -182.011 -237.734 -22.3462 GPRESSURE: 4411800 2.06582 112.659 -75.2899 58.693 68.3281 -265.264 -104.613 -244.094 28.3425 PRESSAVG: 4411800 37.0195 -37.3714 23.5804 -37.3714 -8.41012 -53.6174 23.5803 -53.6174 21.3586 GPRESSAVG: 4411800 37.4247 -36.4495 25.1618 -39.8777 -9.22158 -53.792 23.3118 -50.5604 21.7924 TIMING: 4411800 CPU: 14258.6, 0.00311858/step Wall: 14258.6, 0.00311858/step, 0.509541 hours remaining, 234.890625 MB of memory in use. ENERGY: 4411800 3947.1247 20540.8257 14492.7774 228.0225 -203492.3374 2532.4894 0.0000 0.0000 51956.8398 -109794.2579 298.5967 -161751.0977 -109436.0194 298.8804 7.3242 32.9121 759589.5199 16.6560 16.6652 PRESSURE: 4412000 -506.971 -55.2821 -137.149 -55.2825 -292.843 22.1456 -137.149 22.1453 -152.746 GPRESSURE: 4412000 -477.49 -103.16 -193.435 -69.716 -219.803 86.2611 -33.8124 -65.4531 -160.421 PRESSAVG: 4412000 20.7281 -3.1556 51.6776 -3.15557 39.7628 -21.9551 51.6776 -21.955 15.8811 GPRESSAVG: 4412000 19.4729 -4.06269 51.6155 0.188914 39.4381 -23.0969 51.0753 -22.1905 16.8569 TIMING: 4412000 CPU: 14259.2, 0.0031274/step Wall: 14259.2, 0.0031274/step, 0.510809 hours remaining, 234.890625 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: 4412000 3986.4513 20342.8348 14481.5691 234.5594 -203331.4651 2342.0714 0.0000 0.0000 52125.7432 -109818.2359 299.5674 -161943.9791 -109456.4463 298.7508 -317.5202 -285.9048 761053.8529 25.4574 25.2560 PRESSURE: 4412200 -85.1771 -139.8 100.402 -139.799 -385.849 78.5886 100.402 78.5892 39.6227 GPRESSURE: 4412200 -45.4116 -45.4519 95.4038 -111.406 -356.984 110.369 120.325 17.4182 85.7854 PRESSAVG: 4412200 26.1943 -12.4408 14.8986 -12.4408 -19.6496 -23.4831 14.8986 -23.4832 2.1356 GPRESSAVG: 4412200 27.4451 -14.4016 13.6773 -11.8838 -19.6906 -22.5178 16.8176 -24.6013 0.527145 TIMING: 4412200 CPU: 14259.8, 0.00310734/step Wall: 14259.8, 0.00310734/step, 0.507359 hours remaining, 234.890625 MB of memory in use. ENERGY: 4412200 4049.6183 20456.5032 14468.3441 257.1376 -202977.2258 2094.3352 0.0000 0.0000 51787.5731 -109863.7143 297.6239 -161651.2873 -109499.5222 298.0678 -143.8011 -105.5368 761417.6592 2.8934 2.7606 LDB: ============= START OF LOAD BALANCING ============== 14272.3 LDB: ============== END OF LOAD BALANCING =============== 14272.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14272.3 LDB: ============= START OF LOAD BALANCING ============== 14272.6 LDB: Largest compute 7064 load 0.032987 is 16.9% of average load 0.195510 LDB: Average compute 0.004363 is 2.2% of average load 0.195510 LDB: TIME 14272.6 LOAD: AVG 0.19551 MAX 0.215575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 14272.6 LOAD: AVG 0.19551 MAX 0.215575 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 14272.6 LOAD: AVG 0.19551 MAX 0.215575 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 14272.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14272.6 PRESSURE: 4412400 -195.541 147.157 150.169 147.156 126.976 284.834 150.17 284.834 -360.272 GPRESSURE: 4412400 -25.4331 52.005 103.318 131.697 113.564 275.794 194.305 304.175 -443.862 PRESSAVG: 4412400 66.113 -14.95 40.1141 -14.95 -56.2412 -1.71694 40.1141 -1.71693 12.6394 GPRESSAVG: 4412400 65.3294 -13.2218 41.6682 -15.0961 -55.2504 -2.98828 36.7518 -1.29201 12.9238 TIMING: 4412400 CPU: 14260.5, 0.00319929/step Wall: 14260.5, 0.00319929/step, 0.522196 hours remaining, 236.542969 MB of memory in use. ENERGY: 4412400 4049.8825 20425.6918 14519.3810 280.3525 -203933.8781 2774.5153 0.0000 0.0000 51982.8363 -109901.2187 298.7461 -161884.0550 -109531.3305 298.7365 -142.9455 -118.5772 761023.8225 7.5037 7.6676 PRESSURE: 4412600 -153.538 7.46375 -221.578 7.46387 -272.394 -85.1523 -221.579 -85.1521 -202.46 GPRESSURE: 4412600 -151.42 59.8248 -224.582 3.62129 -256.488 -19.7985 -293.939 -66.8388 -133.697 PRESSAVG: 4412600 8.09431 -9.82023 43.6947 -9.82021 26.0534 11.7305 43.6946 11.7305 -16.5504 GPRESSAVG: 4412600 7.47672 -9.16693 42.665 -8.67861 27.1797 12.9691 46.5014 11.1213 -17.1426 TIMING: 4412600 CPU: 14261.1, 0.00312673/step Wall: 14261.1, 0.00312673/step, 0.510179 hours remaining, 236.800781 MB of memory in use. ENERGY: 4412600 4011.2949 20561.1086 14458.8023 225.0189 -203960.9545 2747.8035 0.0000 0.0000 51912.2644 -110044.6619 298.3405 -161956.9263 -109691.7568 298.1041 -209.4639 -180.5352 760749.2696 5.8657 5.8380 PRESSURE: 4412800 -194.643 -220.592 -15.9007 -220.591 -78.6462 -70.2076 -15.9003 -70.2088 -143.933 GPRESSURE: 4412800 -132.327 -187.299 -3.54782 -189.723 -95.321 -104.739 -79.5837 -113.144 -112.653 PRESSAVG: 4412800 14.4143 -6.38624 31.5951 -6.38622 -9.81165 -8.76573 31.5951 -8.76577 -13.4464 GPRESSAVG: 4412800 14.1126 -5.2606 32.1653 -7.64314 -10.4733 -9.1515 30.9541 -7.48824 -12.5819 TIMING: 4412800 CPU: 14261.7, 0.00315624/step Wall: 14261.7, 0.00315624/step, 0.514818 hours remaining, 236.800781 MB of memory in use. ENERGY: 4412800 3980.2387 20525.1780 14434.0170 265.0205 -203300.6131 2362.7604 0.0000 0.0000 51836.1933 -109897.2053 297.9033 -161733.3986 -109531.7076 298.4482 -139.0740 -113.4337 762863.9121 -2.9479 -2.9809 PRESSURE: 4413000 -51.7509 72.4496 -21.92 72.4499 -22.4029 151.284 -21.919 151.285 -218.913 GPRESSURE: 4413000 51.237 70.5614 -50.9786 -70.505 20.025 180.502 78.0508 93.4079 -275.763 PRESSAVG: 4413000 68.197 29.7965 85.4357 29.7965 -55.9212 -1.26912 85.4357 -1.26903 -24.9023 GPRESSAVG: 4413000 70.0915 27.4721 86.3167 29.4006 -56.514 -0.983936 84.8556 -2.64147 -26.2945 TIMING: 4413000 CPU: 14262.4, 0.00311494/step Wall: 14262.4, 0.00311494/step, 0.507908 hours remaining, 236.800781 MB of memory in use. ENERGY: 4413000 4031.9508 20517.9767 14427.8544 259.0388 -203989.2368 2819.9220 0.0000 0.0000 52021.2144 -109911.2797 298.9666 -161932.4941 -109556.9955 298.1904 -97.6888 -68.1671 760998.3317 -4.2088 -4.2390 PRESSURE: 4413200 206.44 109.328 -39.6817 109.328 134.771 83.7149 -39.6811 83.7153 7.11503 GPRESSURE: 4413200 224.565 209.98 -65.5268 38.8404 138.261 55.1641 -137.391 50.5635 55.123 PRESSAVG: 4413200 -19.259 -41.9466 16.2038 -41.9466 12.8348 -2.05653 16.2039 -2.05656 -0.960353 GPRESSAVG: 4413200 -20.7539 -41.6645 14.91 -41.1189 13.594 -1.67694 15.8667 -1.45299 -0.23568 TIMING: 4413200 CPU: 14263, 0.00311468/step Wall: 14263, 0.00311468/step, 0.507693 hours remaining, 236.800781 MB of memory in use. ENERGY: 4413200 4012.0308 20389.3401 14430.9272 221.7363 -203631.5265 2786.0914 0.0000 0.0000 51974.6795 -109816.7212 298.6992 -161791.4007 -109455.7613 298.9662 116.1088 139.3162 762361.6420 -2.4615 -2.4652 PRESSURE: 4413400 455.85 -275.407 70.9997 -275.406 -435.242 -118.885 70.9985 -118.885 309.236 GPRESSURE: 4413400 336.778 -213.542 25.5536 -267.78 -299.662 -128.625 40.9477 -13.0806 388.075 PRESSAVG: 4413400 99.3762 -40.0843 16.3414 -40.0842 -45.7554 21.4174 16.3413 21.4174 -7.49778 GPRESSAVG: 4413400 98.8548 -38.9549 16.5045 -38.7897 -46.0027 20.7051 14.6126 21.3086 -6.03078 TIMING: 4413400 CPU: 14263.6, 0.00311058/step Wall: 14263.6, 0.00311058/step, 0.506852 hours remaining, 236.800781 MB of memory in use. ENERGY: 4413400 3966.6339 20428.4120 14524.7512 245.4190 -203042.0272 2454.6550 0.0000 0.0000 51884.1354 -109538.0207 298.1788 -161422.1561 -109164.2076 298.6788 109.9476 141.7303 762569.1984 15.3744 15.6071 PRESSURE: 4413600 -51.0055 58.7166 -93.1847 58.7156 350.299 -64.7565 -93.185 -64.7573 83.5779 GPRESSURE: 4413600 50.5308 -73.9029 -68.622 33.5634 351.08 -107.216 -84.6446 -118.124 56.2252 PRESSAVG: 4413600 48.3565 -11.4405 41.0484 -11.4405 -19.0805 -8.39025 41.0485 -8.39033 15.4164 GPRESSAVG: 4413600 47.9241 -13.2486 42.1788 -14.9327 -19.0009 -7.71672 43.465 -9.41002 14.82 TIMING: 4413600 CPU: 14264.2, 0.00309346/step Wall: 14264.2, 0.00309346/step, 0.503891 hours remaining, 236.800781 MB of memory in use. ENERGY: 4413600 4026.9450 20511.4474 14374.8523 265.7908 -203817.9314 3041.8792 0.0000 0.0000 52166.5690 -109430.4476 299.8020 -161597.0166 -109069.2556 299.2762 127.6239 152.6120 762638.7027 14.8975 14.5811 PRESSURE: 4413800 23.4766 125.212 -216.219 125.213 231.575 43.1884 -216.219 43.1883 40.6643 GPRESSURE: 4413800 87.6806 14.3569 -104.558 62.2814 169.424 4.48378 -236.117 147.69 113.91 PRESSAVG: 4413800 -12.8547 -26.8019 -1.86243 -26.8019 -0.0140786 -20.7455 -1.86247 -20.7456 6.69188 GPRESSAVG: 4413800 -11.4199 -26.9891 -2.43988 -24.4293 -1.26178 -22.3027 -0.562034 -20.0032 5.84908 TIMING: 4413800 CPU: 14264.8, 0.00312059/step Wall: 14264.8, 0.00312059/step, 0.508136 hours remaining, 236.800781 MB of memory in use. ENERGY: 4413800 3914.7037 20493.0507 14465.7320 244.8286 -203638.0197 2668.9588 0.0000 0.0000 52243.6314 -109607.1145 300.2449 -161850.7459 -109235.5909 299.3601 98.5720 123.6714 763189.8261 -2.0590 -2.2775 PRESSURE: 4414000 90.2282 -74.5468 186.522 -74.5472 -57.7658 200.214 186.522 200.214 -259.938 GPRESSURE: 4414000 45.2594 -83.7607 149.088 -89.4819 -15.118 246.557 95.0495 221.019 -187.623 PRESSAVG: 4414000 15.4877 -49.8067 4.3759 -49.8067 4.785 9.51462 4.3759 9.51455 -1.31714 GPRESSAVG: 4414000 15.0759 -49.6036 3.71729 -50.1787 4.47563 9.87556 1.94619 11.1379 -0.955328 TIMING: 4414000 CPU: 14265.5, 0.00312229/step Wall: 14265.5, 0.00312229/step, 0.508239 hours remaining, 236.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4414000 4044.2793 20406.0075 14475.5998 242.9318 -203336.3848 2773.2255 0.0000 0.0000 51744.6817 -109649.6590 297.3774 -161394.3408 -109293.9818 298.7528 -75.8253 -52.4937 764031.9931 6.3185 6.1987 PRESSURE: 4414200 190.483 -79.7988 -29.4433 -79.7994 -33.5253 -210.462 -29.4417 -210.463 -150.79 GPRESSURE: 4414200 244.009 -101.477 19.6851 -74.4198 53.4788 -270.771 7.11352 -277.278 -213.408 PRESSAVG: 4414200 -13.2006 -63.141 -60.095 -63.141 17.4292 -11.1924 -60.095 -11.1924 -4.23989 GPRESSAVG: 4414200 -13.0828 -60.663 -59.4587 -65.2749 16.8491 -12.1315 -59.7921 -13.0123 -4.5914 TIMING: 4414200 CPU: 14266.1, 0.0031103/step Wall: 14266.1, 0.0031103/step, 0.506115 hours remaining, 236.812500 MB of memory in use. ENERGY: 4414200 4053.4961 20492.3874 14405.0677 225.8769 -203661.9593 2849.0763 0.0000 0.0000 52031.8056 -109604.2493 299.0275 -161636.0549 -109239.5437 298.3266 2.0562 28.0268 762859.7642 -0.0038 -0.2751 PRESSURE: 4414400 -201.459 -146.752 38.0099 -146.751 132.211 51.9104 38.0095 51.9118 -131.755 GPRESSURE: 4414400 -142.402 -116.912 111.258 -132.424 198.256 47.2428 41.9 101.579 -174.819 PRESSAVG: 4414400 10.255 -24.6905 28.8846 -24.6904 -5.26143 -47.0677 28.8846 -47.0677 4.80568 GPRESSAVG: 4414400 8.98367 -26.3233 28.4213 -24.5723 -4.05925 -47.3219 30.4632 -46.2225 5.45795 TIMING: 4414400 CPU: 14266.7, 0.00311098/step Wall: 14266.7, 0.00311098/step, 0.506052 hours remaining, 236.812500 MB of memory in use. ENERGY: 4414400 4057.6828 20479.3227 14455.8286 249.7499 -203765.2109 2602.5956 0.0000 0.0000 52120.1922 -109799.8391 299.5355 -161920.0313 -109433.9469 299.2227 -67.0012 -39.6553 760338.1092 3.2664 3.4608 PRESSURE: 4414600 336.072 183.844 45.5179 183.843 -461.785 47.7324 45.5165 47.7321 78.115 GPRESSURE: 4414600 348.733 182.614 29.248 54.0876 -408.253 75.3054 27.1583 32.5504 126.071 PRESSAVG: 4414600 35.2606 -54.6274 1.37465 -54.6275 -27.1244 -34.2945 1.37465 -34.2946 -3.39747 GPRESSAVG: 4414600 35.5373 -54.3636 2.28095 -52.4616 -27.4117 -31.5589 -1.70604 -35.6731 -2.83222 TIMING: 4414600 CPU: 14267.3, 0.00311322/step Wall: 14267.3, 0.00311322/step, 0.506243 hours remaining, 236.812500 MB of memory in use. ENERGY: 4414600 4008.8334 20489.4933 14394.6633 255.6195 -203363.7672 2622.5852 0.0000 0.0000 51960.7335 -109631.8389 298.6190 -161592.5724 -109269.3074 298.6544 -15.8659 22.1837 760145.7554 1.5796 1.7644 PRESSURE: 4414800 439.626 107.132 -145.691 107.132 -205.871 -325.012 -145.69 -325.012 -116.076 GPRESSURE: 4414800 310.068 -33.4698 -121.89 228.68 -5.87646 -237.14 -98.796 -332.563 -89.2622 PRESSAVG: 4414800 60.3645 -15.0696 64.5914 -15.0697 -43.942 13.1927 64.5915 13.1928 -4.11339 GPRESSAVG: 4414800 61.3178 -17.2182 63.1483 -13.5613 -42.5666 12.6048 66.9197 13.7764 -6.01275 TIMING: 4414800 CPU: 14267.9, 0.00309082/step Wall: 14267.9, 0.00309082/step, 0.502431 hours remaining, 236.812500 MB of memory in use. ENERGY: 4414800 3870.8933 20601.5790 14382.6472 259.7309 -203474.3281 2444.1614 0.0000 0.0000 52171.2672 -109744.0490 299.8290 -161915.3162 -109382.9242 298.7764 39.2262 71.6431 760948.7567 4.1030 4.2461 PRESSURE: 4415000 -371.181 225.976 273.002 225.977 125.038 -207.731 273.002 -207.732 -154.655 GPRESSURE: 4415000 -232.526 197.063 222.873 304.314 64.7915 -129.685 332.775 -306.26 -156.776 PRESSAVG: 4415000 24.0188 -24.4927 53.9013 -24.4927 -53.9651 -17.5465 53.9013 -17.5465 -12.5275 GPRESSAVG: 4415000 22.4701 -21.4024 55.2445 -26.4082 -55.05 -16.7687 50.4073 -19.5731 -9.56223 TIMING: 4415000 CPU: 14268.6, 0.00312279/step Wall: 14268.6, 0.00312279/step, 0.507453 hours remaining, 236.812500 MB of memory in use. ENERGY: 4415000 4009.6797 20439.6941 14401.6384 248.0204 -203077.4854 2326.5347 0.0000 0.0000 52031.4145 -109620.5035 299.0253 -161651.9180 -109253.3401 298.7844 -133.5993 -108.1704 763399.3514 -14.1579 -14.0474 PRESSURE: 4415200 35.1966 201.646 149.845 201.646 -254.534 170.324 149.844 170.324 -251.909 GPRESSURE: 4415200 26.1075 108.922 173.989 212.801 -217.37 147.913 109.701 169.048 -186.129 PRESSAVG: 4415200 6.11604 -7.44759 31.0219 -7.44754 -18.8642 43.2832 31.0218 43.2832 -20.2351 GPRESSAVG: 4415200 7.74322 -7.6374 29.8126 -5.38391 -19.1832 41.3825 34.5573 46.0561 -21.6054 TIMING: 4415200 CPU: 14269.2, 0.00314499/step Wall: 14269.2, 0.00314499/step, 0.510886 hours remaining, 236.812500 MB of memory in use. ENERGY: 4415200 3900.8535 20456.1590 14417.0186 235.7946 -203150.3546 2400.7239 0.0000 0.0000 52116.0070 -109623.7981 299.5114 -161739.8051 -109262.6151 298.7839 -157.0824 -125.7970 762205.4690 -10.9944 -11.0151 PRESSURE: 4415400 11.7326 67.4404 -49.9294 67.4392 160.631 -100.843 -49.9303 -100.843 138.749 GPRESSURE: 4415400 -34.0544 58.1618 22.533 8.75345 207.944 -150.739 -64.5316 24.6984 198.234 PRESSAVG: 4415400 50.0074 17.3827 -15.5473 17.3827 -17.9167 -3.89594 -15.5474 -3.89598 28.2334 GPRESSAVG: 4415400 49.5899 17.6881 -16.0381 15.6956 -17.5061 -3.0068 -16.6621 -4.53377 28.0684 TIMING: 4415400 CPU: 14269.8, 0.00311785/step Wall: 14269.8, 0.00311785/step, 0.506305 hours remaining, 236.812500 MB of memory in use. ENERGY: 4415400 3908.7881 20462.0812 14422.4841 252.8343 -203310.5180 2518.9601 0.0000 0.0000 52150.8335 -109594.5367 299.7116 -161745.3702 -109229.9791 299.0796 103.7040 124.0410 760806.7085 20.1080 20.0507 PRESSURE: 4415600 -24.9656 271.377 -306.403 271.375 -62.8927 -76.8774 -306.403 -76.8769 57.4206 GPRESSURE: 4415600 -2.43555 317.99 -356.539 293.416 -78.2867 -49.9493 -213.275 -62.9737 107.791 PRESSAVG: 4415600 15.745 27.6155 -5.76989 27.6155 27.4381 -59.2174 -5.76991 -59.2173 7.9595 GPRESSAVG: 4415600 15.2337 29.183 -3.53276 27.5511 27.408 -59.1111 -5.64392 -61.4353 8.18989 TIMING: 4415600 CPU: 14270.4, 0.00311524/step Wall: 14270.4, 0.00311524/step, 0.505708 hours remaining, 236.812500 MB of memory in use. ENERGY: 4415600 3935.0281 20533.8850 14438.4022 247.3521 -203246.6667 2406.2436 0.0000 0.0000 52113.7352 -109572.0205 299.4984 -161685.7557 -109214.5430 299.4673 -10.1459 9.0230 761673.6649 17.0475 16.9439 PRESSURE: 4415800 -49.0441 127.439 -54.4074 127.438 -219.155 210.905 -54.4075 210.904 -104.094 GPRESSURE: 4415800 64.382 57.1222 -34.2027 84.7054 -157.115 263.301 75.4625 271.356 -206.794 PRESSAVG: 4415800 0.913067 9.27555 -29.0446 9.27553 -3.13792 -20.0334 -29.0446 -20.0334 -9.76455 GPRESSAVG: 4415800 1.02598 7.781 -29.4328 10.1694 -3.81913 -19.7624 -29.5343 -17.6121 -9.52986 TIMING: 4415800 CPU: 14271.1, 0.00310549/step Wall: 14271.1, 0.00310549/step, 0.503952 hours remaining, 236.812500 MB of memory in use. ENERGY: 4415800 3998.8029 20494.2236 14473.6328 239.7377 -203057.3551 2410.1101 0.0000 0.0000 51978.1343 -109462.7137 298.7191 -161440.8480 -109104.1459 299.2901 -124.0977 -99.8423 762905.1719 -3.9965 -4.1077 PRESSURE: 4416000 444.98 22.6603 -198.517 22.6608 99.6048 -65.4712 -198.516 -65.4716 -236.839 GPRESSURE: 4416000 356.284 92.8976 -169.82 67.1448 199.607 -76.6861 -168.135 -67.3014 -158.728 PRESSAVG: 4416000 -24.7368 -21.3287 -56.3804 -21.3287 21.2156 -20.0091 -56.3805 -20.0092 -22.43 GPRESSAVG: 4416000 -24.6185 -23.5944 -57.7416 -20.7054 23.6328 -19.7391 -55.3243 -19.2347 -24.2276 TIMING: 4416000 CPU: 14271.7, 0.00309858/step Wall: 14271.7, 0.00309858/step, 0.502658 hours remaining, 236.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4416000 3947.2059 20604.5547 14465.5641 243.9479 -203683.1964 2810.3005 0.0000 0.0000 52144.2888 -109467.3345 299.6739 -161611.6233 -109108.2003 299.1752 102.5819 132.3878 761188.2124 -8.6504 -8.4044 PRESSURE: 4416200 205.743 147.109 136.307 147.109 -83.4084 31.3011 136.306 31.3003 -726.133 GPRESSURE: 4416200 220.736 200.361 141.945 162.984 -57.5962 0.297765 -55.0478 148.578 -680.719 PRESSAVG: 4416200 -18.2771 -42.2641 -36.5509 -42.2641 -30.7847 26.7147 -36.5509 26.7147 11.2722 GPRESSAVG: 4416200 -17.7492 -39.8223 -36.8807 -43.5817 -33.0857 25.0796 -37.5578 26.1085 12.541 TIMING: 4416200 CPU: 14272.3, 0.00312038/step Wall: 14272.3, 0.00312038/step, 0.506021 hours remaining, 236.812500 MB of memory in use. ENERGY: 4416200 3991.5352 20438.3421 14447.6439 277.2528 -203053.7904 2588.1379 0.0000 0.0000 52178.8087 -109132.0698 299.8723 -161310.8785 -108769.0017 299.2778 -201.2661 -172.5265 762562.8344 -12.5966 -12.7646 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 7031 load 0.032812 is 16.8% of average load 0.195597 LDB: Average compute 0.004367 is 2.2% of average load 0.195597 LDB: TIME 14285.1 LOAD: AVG 0.195597 MAX 0.218577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 14285.1 LOAD: AVG 0.195597 MAX 0.218577 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.566 MB LDB: TIME 14285.1 LOAD: AVG 0.195597 MAX 0.218266 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.566 MB LDB: ============== END OF LOAD BALANCING =============== 14285.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14285.1 PRESSURE: 4416400 116.668 -106.675 -236.027 -106.675 108.335 65.6133 -236.027 65.6146 -76.6594 GPRESSURE: 4416400 68.6554 -139.36 -105.562 -136.375 193.569 41.8104 -235.73 195.706 -20.0002 PRESSAVG: 4416400 30.5552 -32.3255 -63.8492 -32.3254 -25.7647 31.9436 -63.8493 31.9436 17.7713 GPRESSAVG: 4416400 30.1698 -33.6655 -60.7341 -31.0559 -23.3334 33.2057 -65.1008 33.1771 16.3374 TIMING: 4416400 CPU: 14273, 0.00320451/step Wall: 14273, 0.00320451/step, 0.519486 hours remaining, 235.394531 MB of memory in use. ENERGY: 4416400 4071.8806 20631.4618 14561.1865 245.3175 -203325.4261 2613.1215 0.0000 0.0000 52016.0489 -109186.4094 298.9369 -161202.4583 -108829.3289 299.5805 49.4482 80.7415 762601.6573 7.5206 7.7246 PRESSURE: 4416600 163.842 176.942 247.516 176.942 208.225 -131.853 247.516 -131.854 465.914 GPRESSURE: 4416600 163.72 124.403 179.886 88.6774 235.866 -185.301 113.09 -190.479 506.823 PRESSAVG: 4416600 52.2938 -6.33657 -21.9392 -6.33654 -58.6321 -66.1586 -21.9392 -66.1585 11.6196 GPRESSAVG: 4416600 53.0397 -4.95181 -24.7071 -7.81932 -59.3638 -65.5729 -20.8046 -66.973 12.301 TIMING: 4416600 CPU: 14273.6, 0.00310903/step Wall: 14273.6, 0.00310903/step, 0.503836 hours remaining, 235.593750 MB of memory in use. ENERGY: 4416600 3976.0746 20417.7253 14389.5848 254.6638 -203344.6296 2702.5515 0.0000 0.0000 52383.7204 -109220.3092 301.0500 -161604.0296 -108856.1652 299.6961 279.3268 302.1362 762323.1865 1.7604 1.9923 PRESSURE: 4416800 21.7383 32.4606 28.359 32.4612 231.553 -3.48013 28.3603 -3.48053 238.477 GPRESSURE: 4416800 83.9235 -64.659 -79.7087 73.2375 220.967 -25.8837 88.3913 -43.4533 281.333 PRESSAVG: 4416800 50.7021 -3.54405 -1.66465 -3.54407 -20.0028 -25.718 -1.6646 -25.7181 -5.27057 GPRESSAVG: 4416800 49.7001 -5.4809 -1.23864 -2.68591 -19.771 -26.4457 -1.86138 -28.1106 -4.65193 TIMING: 4416800 CPU: 14274.2, 0.00310147/step Wall: 14274.2, 0.00310147/step, 0.502438 hours remaining, 235.593750 MB of memory in use. ENERGY: 4416800 3936.2297 20457.0716 14488.5145 238.6316 -203467.2211 2846.4074 0.0000 0.0000 52214.1647 -109286.2016 300.0755 -161500.3663 -108917.2339 299.6791 163.9228 195.4078 760981.4385 8.4762 8.4257 PRESSURE: 4417000 -176.446 160.406 15.952 160.405 -6.02879 -18.9462 15.952 -18.9452 -10.5467 GPRESSURE: 4417000 -93.8287 133.586 85.4453 146.97 11.9305 -33.3502 74.1206 62.9694 -2.99241 PRESSAVG: 4417000 70.4392 10.0409 -8.28535 10.0409 -73.0542 40.3104 -8.28533 40.3105 6.44775 GPRESSAVG: 4417000 71.0527 10.4321 -7.56248 10.4897 -72.477 39.2556 -7.00812 43.4311 5.27521 TIMING: 4417000 CPU: 14274.8, 0.00312091/step Wall: 14274.8, 0.00312091/step, 0.505414 hours remaining, 235.593750 MB of memory in use. ENERGY: 4417000 3961.3361 20483.6403 14446.1064 252.3220 -203403.0609 2642.7127 0.0000 0.0000 52247.2528 -109369.6906 300.2657 -161616.9434 -109003.4233 299.5910 -64.3405 -28.2969 761429.5855 1.2776 1.2836 PRESSURE: 4417200 54.9811 -166.223 26.0729 -166.223 -43.325 86.4796 26.0738 86.4792 385.648 GPRESSURE: 4417200 107.674 -39.5296 54.0818 -153.121 -17.9365 36.4074 50.81 41.1109 370.51 PRESSAVG: 4417200 2.16287 20.1417 0.549035 20.1418 -22.9334 4.54354 0.549052 4.54353 -10.6468 GPRESSAVG: 4417200 1.10915 19.8615 0.109624 20.3315 -23.8686 5.07934 1.52432 3.89882 -9.69917 TIMING: 4417200 CPU: 14275.4, 0.00311016/step Wall: 14275.4, 0.00311016/step, 0.5035 hours remaining, 235.593750 MB of memory in use. ENERGY: 4417200 3943.5531 20539.8144 14454.4299 260.4173 -203379.6097 2764.3587 0.0000 0.0000 52041.1573 -109375.8792 299.0812 -161417.0365 -109019.6324 299.0042 132.4347 153.4160 761875.5238 -10.4725 -10.8195 PRESSURE: 4417400 11.117 21.94 137.295 21.9406 121.217 -31.4512 137.295 -31.4502 58.4996 GPRESSURE: 4417400 19.8917 105.967 168.731 -5.06921 189.908 -2.10804 -54.6733 0.71022 54.6211 PRESSAVG: 4417400 -7.56003 15.5808 15.7357 15.5808 -7.17027 -72.0973 15.7357 -72.0973 -15.581 GPRESSAVG: 4417400 -8.17531 16.5054 18.6704 17.4536 -7.15511 -71.1623 13.0577 -73.385 -14.8383 TIMING: 4417400 CPU: 14276.1, 0.00311613/step Wall: 14276.1, 0.00311613/step, 0.504294 hours remaining, 235.593750 MB of memory in use. ENERGY: 4417400 3936.4775 20609.5343 14495.9121 250.5715 -203154.7649 2427.4629 0.0000 0.0000 52211.9200 -109222.8865 300.0626 -161434.8066 -108871.1406 299.2177 63.6111 88.1402 763833.9185 -10.1038 -10.0563 PRESSURE: 4417600 -109.627 53.1599 7.2914 53.1606 -473.384 -115.369 7.29133 -115.37 37.9158 GPRESSURE: 4417600 65.7184 190.437 60.5103 -0.943116 -494.966 -90.4709 -74.8152 -88.9752 -30.0898 PRESSAVG: 4417600 9.31588 34.025 -15.1902 34.0249 -12.4678 14.303 -15.1902 14.3031 -6.13612 GPRESSAVG: 4417600 9.45364 34.1463 -16.7302 31.5116 -12.3433 13.529 -14.3068 14.6983 -6.42591 TIMING: 4417600 CPU: 14276.7, 0.00311791/step Wall: 14276.7, 0.00311791/step, 0.504408 hours remaining, 235.593750 MB of memory in use. ENERGY: 4417600 3953.5928 20418.5397 14541.3272 246.5071 -203226.7971 2505.4556 0.0000 0.0000 52107.5891 -109453.7856 299.4630 -161561.3747 -109080.8784 299.0236 -181.6983 -153.1125 763101.8431 -3.0960 -3.1052 PRESSURE: 4417800 63.2229 33.7188 -179.619 33.7198 142.611 -194.924 -179.618 -194.923 22.8392 GPRESSURE: 4417800 29.7646 -4.03383 -208.328 98.7269 175.804 -167.85 -200.66 -145.425 109.699 PRESSAVG: 4417800 45.8691 3.51853 19.0955 3.51855 -33.2995 -13.0994 19.0955 -13.0993 -3.57845 GPRESSAVG: 4417800 47.748 2.01383 19.2143 3.74907 -35.3056 -13.1782 19.2131 -12.7702 -3.25956 TIMING: 4417800 CPU: 14277.3, 0.00312782/step Wall: 14277.3, 0.00312782/step, 0.505838 hours remaining, 235.593750 MB of memory in use. ENERGY: 4417800 3969.3281 20499.6972 14468.8889 248.3765 -203472.0726 2681.5220 0.0000 0.0000 52236.2590 -109368.0009 300.2025 -161604.2600 -109003.5610 299.3027 76.2243 105.0893 761898.4420 2.9971 3.0610 PRESSURE: 4418000 163.374 106.698 -18.4997 106.699 -111.057 111.162 -18.4995 111.162 -105.173 GPRESSURE: 4418000 110.916 35.616 -44.7248 106.159 21.0919 114.941 -108.14 65.8217 -89.674 PRESSAVG: 4418000 34.2694 41.3033 2.8111 41.3032 -43.9805 14.1861 2.81108 14.186 -17.052 GPRESSAVG: 4418000 33.7033 41.6826 3.42627 40.8585 -42.3622 14.4376 2.15915 13.1329 -17.5979 TIMING: 4418000 CPU: 14277.9, 0.00312976/step Wall: 14277.9, 0.00312976/step, 0.505978 hours remaining, 235.593750 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: 4418000 4005.6498 20722.4706 14477.3485 249.7215 -203416.4356 2702.8430 0.0000 0.0000 52020.8287 -109237.5735 298.9644 -161258.4022 -108884.2899 299.6699 -17.6186 14.1115 763029.3288 -8.9210 -8.7522 PRESSURE: 4418200 79.3162 47.5854 -16.1385 47.5856 587.968 -149.072 -16.1381 -149.073 5.8246 GPRESSURE: 4418200 216.701 37.2074 45.9833 124.439 487.458 -165.21 -59.8276 -86.0084 33.1149 PRESSAVG: 4418200 9.08318 51.1968 -4.61568 51.1969 -2.33643 0.709588 -4.61563 0.709613 -8.51418 GPRESSAVG: 4418200 7.6656 49.7684 -5.46861 52.0045 -1.5928 1.74419 -3.82421 -1.60747 -7.93878 TIMING: 4418200 CPU: 14278.6, 0.00313865/step Wall: 14278.6, 0.00313865/step, 0.50724 hours remaining, 235.593750 MB of memory in use. ENERGY: 4418200 3967.2419 20590.9995 14604.4982 245.9661 -203246.8926 2709.3940 0.0000 0.0000 51833.8361 -109294.9570 297.8898 -161128.7930 -108925.1171 299.5748 224.3696 245.7578 761713.6256 -0.5891 -0.6220 PRESSURE: 4418400 272.894 147.673 -254.54 147.673 96.3629 -138.15 -254.539 -138.15 367.442 GPRESSURE: 4418400 287.336 116.465 -243.624 176.013 123.791 -95.7182 -216.637 -81.877 412.212 PRESSAVG: 4418400 -15.361 -4.16733 -43.0345 -4.16724 1.5399 32.0218 -43.0346 32.0218 14.4483 GPRESSAVG: 4418400 -14.8451 -1.23555 -43.5601 -4.52311 1.44154 29.6696 -43.2744 32.9813 14.3481 TIMING: 4418400 CPU: 14279.2, 0.00313059/step Wall: 14279.2, 0.00313059/step, 0.505764 hours remaining, 235.593750 MB of memory in use. ENERGY: 4418400 3937.3488 20457.4288 14445.1456 249.9992 -203297.9971 2636.4848 0.0000 0.0000 52265.4941 -109306.0958 300.3705 -161571.5899 -108951.5741 299.6235 245.5663 274.4461 761950.2496 0.2091 0.3148 PRESSURE: 4418600 -9.45892 -1.78992 -109.208 -1.78972 59.521 67.9671 -109.208 67.9661 73.8804 GPRESSURE: 4418600 -4.57416 -65.5604 -99.4166 47.8533 127.704 39.2636 -126.854 118.943 88.9828 PRESSAVG: 4418600 -15.7708 48.5466 -11.988 48.5466 28.1994 -10.6996 -11.988 -10.6996 -12.0071 GPRESSAVG: 4418600 -14.1319 46.8022 -11.3915 49.1988 27.183 -9.28688 -10.9759 -9.20689 -11.9731 TIMING: 4418600 CPU: 14279.8, 0.00312381/step Wall: 14279.8, 0.00312381/step, 0.504495 hours remaining, 235.593750 MB of memory in use. ENERGY: 4418600 4000.3450 20412.3855 14443.3920 247.3874 -203314.3154 2623.5785 0.0000 0.0000 52174.5159 -109412.7112 299.8477 -161587.2271 -109050.9187 299.3449 41.3141 70.7042 763123.6106 0.1405 0.3593 PRESSURE: 4418800 122.655 84.659 -314.849 84.6579 -93.7613 -27.1769 -314.848 -27.1772 -314.267 GPRESSURE: 4418800 180.527 169.285 -313.596 55.1267 -145.037 13.9655 -219.501 -126.565 -231.294 PRESSAVG: 4418800 3.45318 8.18714 -53.6827 8.18715 -18.5797 -17.7937 -53.6827 -17.7937 0.122448 GPRESSAVG: 4418800 3.65948 10.1072 -54.2583 9.09702 -18.457 -17.1962 -51.9133 -17.528 -0.193475 TIMING: 4418800 CPU: 14280.4, 0.00312288/step Wall: 14280.4, 0.00312288/step, 0.504172 hours remaining, 235.593750 MB of memory in use. ENERGY: 4418800 4006.1860 20561.9121 14406.1741 237.9979 -203534.6951 2812.8294 0.0000 0.0000 52133.2669 -109376.3288 299.6106 -161509.5957 -109008.0548 298.9816 -95.1245 -65.2680 762607.0010 -5.0013 -4.9970 PRESSURE: 4419000 35.4706 13.5287 -290.589 13.5292 -44.1955 -47.8859 -290.589 -47.8859 103.443 GPRESSURE: 4419000 37.399 51.2889 -244.12 22.5337 50.4591 -151.53 -271.196 -39.8686 94.4352 PRESSAVG: 4419000 2.03706 -11.9457 32.3816 -11.9456 -7.45415 -16.1364 32.3816 -16.1365 -5.82198 GPRESSAVG: 4419000 1.29645 -12.4416 33.9211 -14.5472 -7.03125 -18.0961 31.2234 -16.6336 -4.93281 TIMING: 4419000 CPU: 14281.1, 0.00311897/step Wall: 14281.1, 0.00311897/step, 0.503368 hours remaining, 235.593750 MB of memory in use. ENERGY: 4419000 3945.7181 20418.8883 14495.8815 249.3093 -203411.5998 2786.5162 0.0000 0.0000 52229.6730 -109285.6134 300.1646 -161515.2864 -108914.7151 299.9811 31.5728 60.7644 761519.5472 -3.7464 -3.5559 PRESSURE: 4419200 -228.229 -25.2023 127.056 -25.2023 124.807 25.5893 127.056 25.5882 294.192 GPRESSURE: 4419200 -172.642 -48.5 144.567 -21.3291 132.849 40.3472 -34.4005 37.7099 321.429 PRESSAVG: 4419200 -73.3232 35.1851 3.44643 35.1851 42.64 -15.2932 3.44641 -15.2932 9.47275 GPRESSAVG: 4419200 -73.4575 36.0221 2.2716 34.8771 44.2124 -14.2257 3.96624 -15.0726 8.55432 TIMING: 4419200 CPU: 14281.7, 0.00310549/step Wall: 14281.7, 0.00310549/step, 0.501019 hours remaining, 235.593750 MB of memory in use. ENERGY: 4419200 4002.0857 20619.1684 14419.3120 251.1455 -203473.3023 2831.3669 0.0000 0.0000 52125.4949 -109224.7288 299.5659 -161350.2238 -108862.2989 299.9409 63.5898 93.8787 763690.5961 -7.0702 -6.8969 PRESSURE: 4419400 192.211 136.53 -147.397 136.531 -117.467 -50.7212 -147.397 -50.7204 26.3726 GPRESSURE: 4419400 170.511 159.076 -139.09 14.8174 -16.4927 52.9851 -151.858 37.587 20.2799 PRESSAVG: 4419400 -23.3915 31.4656 8.07322 31.4657 16.793 -16.4113 8.07326 -16.4112 -19.1047 GPRESSAVG: 4419400 -22.9769 30.2053 7.53936 33.1774 15.9013 -16.1455 7.54223 -17.2348 -18.7475 TIMING: 4419400 CPU: 14282.3, 0.00312092/step Wall: 14282.3, 0.00312092/step, 0.503335 hours remaining, 235.593750 MB of memory in use. ENERGY: 4419400 4000.2358 20591.2144 14458.1652 238.2719 -203419.5032 2788.6675 0.0000 0.0000 51959.0765 -109383.8719 298.6095 -161342.9484 -109014.9999 299.8402 33.7058 58.0995 762733.7949 -8.5677 -8.6077 PRESSURE: 4419600 -83.6827 159.67 265.614 159.67 90.5001 184.079 265.613 184.079 -22.9198 GPRESSURE: 4419600 -91.71 131.743 57.1364 140.851 133.323 127.242 365.034 99.2231 30.6352 PRESSAVG: 4419600 5.56611 1.17502 -13.8044 1.17507 -19.1593 -9.11953 -13.8044 -9.11953 15.1108 GPRESSAVG: 4419600 6.08148 0.661788 -13.3215 0.571971 -20.1594 -9.6424 -14.8547 -9.03162 15.1142 TIMING: 4419600 CPU: 14282.9, 0.00311336/step Wall: 14282.9, 0.00311336/step, 0.501944 hours remaining, 235.593750 MB of memory in use. ENERGY: 4419600 3983.5823 20528.3078 14437.8701 247.8382 -203335.4587 2690.8945 0.0000 0.0000 52022.4320 -109424.5338 298.9736 -161446.9658 -109070.8999 299.5864 -5.3675 24.0826 763161.2729 0.5059 0.3454 PRESSURE: 4419800 152.268 -118.843 146.562 -118.844 42.1067 -15.3486 146.561 -15.349 -7.19555 GPRESSURE: 4419800 298.167 -88.527 172.693 -45.6528 36.3688 -48.9694 120.82 -65.4382 -42.2933 PRESSAVG: 4419800 38.7256 11.1536 24.0844 11.1536 -46.5876 34.2403 24.0844 34.2403 9.23236 GPRESSAVG: 4419800 38.6529 12.4466 25.0257 9.25558 -46.1439 34.4312 24.4634 34.1979 9.37722 TIMING: 4419800 CPU: 14283.6, 0.00311466/step Wall: 14283.6, 0.00311466/step, 0.501979 hours remaining, 235.593750 MB of memory in use. ENERGY: 4419800 3951.5518 20531.6904 14455.4246 238.6628 -203521.6597 2637.4963 0.0000 0.0000 52163.9625 -109542.8713 299.7870 -161706.8338 -109181.9718 299.2113 62.3930 97.4142 760307.9547 0.4568 0.6287 PRESSURE: 4420000 -282.14 -119.329 -46.9289 -119.329 -319.752 -144.571 -46.9285 -144.571 97.8684 GPRESSURE: 4420000 -227.774 -164.272 -1.44257 -13.7345 -210.757 -37.1539 -140.467 -191.259 30.8388 PRESSAVG: 4420000 65.7611 -47.9743 24.3547 -47.9743 -48.8995 25.7432 24.3547 25.7432 -9.62631 GPRESSAVG: 4420000 63.943 -48.5033 25.1166 -45.0373 -46.8683 26.254 23.542 24.6269 -10.0308 TIMING: 4420000 CPU: 14284.2, 0.00313793/step Wall: 14284.2, 0.00313793/step, 0.505555 hours remaining, 235.593750 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: 4420000 3991.8198 20513.0774 14511.7542 251.2229 -203144.2325 2398.5462 0.0000 0.0000 52027.5430 -109450.2691 299.0030 -161477.8121 -109090.2198 299.2116 -168.0078 -135.8977 762000.0314 2.4118 2.3480 PRESSURE: 4420200 -128.386 -28.5081 -396.218 -28.5076 22.1418 -138.353 -396.218 -138.353 -85.6248 GPRESSURE: 4420200 -55.4656 66.4489 -329.705 5.51151 -11.4832 -138.843 -349.383 -211.068 -23.9483 PRESSAVG: 4420200 -28.5743 16.7822 -17.5297 16.7822 -28.0277 13.015 -17.5297 13.0149 27.0711 GPRESSAVG: 4420200 -27.7023 14.744 -19.3977 18.3692 -30.1421 12.0715 -17.5241 14.0592 28.2669 TIMING: 4420200 CPU: 14284.8, 0.00312899/step Wall: 14284.8, 0.00312899/step, 0.503941 hours remaining, 235.593750 MB of memory in use. ENERGY: 4420200 4036.4468 20479.6682 14440.2607 249.5163 -203074.7355 2145.5421 0.0000 0.0000 51948.4472 -109774.8541 298.5484 -161723.3013 -109409.8506 299.2244 -63.9562 -30.2990 760416.1212 -9.8437 -9.8592 LDB: ============= START OF LOAD BALANCING ============== 14297.2 LDB: ============== END OF LOAD BALANCING =============== 14297.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14297.2 LDB: ============= START OF LOAD BALANCING ============== 14297.6 LDB: Largest compute 7064 load 0.031469 is 16.1% of average load 0.195518 LDB: Average compute 0.004408 is 2.3% of average load 0.195518 LDB: TIME 14297.6 LOAD: AVG 0.195518 MAX 0.215322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 14297.6 LOAD: AVG 0.195518 MAX 0.215322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 14297.6 LOAD: AVG 0.195518 MAX 0.215322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 14297.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14297.6 PRESSURE: 4420400 -77.0324 -90.0732 101.39 -90.0729 -340.671 41.9736 101.39 41.973 -595.882 GPRESSURE: 4420400 -13.1231 -22.1607 104.274 -74.6512 -282.625 58.9524 135.322 72.1202 -637.737 PRESSAVG: 4420400 -20.61 -5.19912 -11.6143 -5.1992 38.2889 19.4724 -11.6144 19.4723 -5.20916 GPRESSAVG: 4420400 -21.487 -5.13187 -11.0855 -5.47418 39.3428 20.7665 -11.0659 18.425 -5.72262 TIMING: 4420400 CPU: 14285.5, 0.00322425/step Wall: 14285.5, 0.00322425/step, 0.519104 hours remaining, 234.609375 MB of memory in use. ENERGY: 4420400 4064.4160 20636.3427 14493.7707 218.0189 -203480.2445 2460.0853 0.0000 0.0000 52124.0934 -109483.5177 299.5579 -161607.6110 -109130.1702 299.3760 -337.8619 -311.1616 760688.3291 4.1566 4.0444 PRESSURE: 4420600 20.1754 -280.814 -50.8358 -280.814 -282.314 -173.751 -50.8346 -173.751 -256.06 GPRESSURE: 4420600 101.204 -267.703 -52.6113 -283.628 -278.992 -254.348 -54.0546 -72.2935 -263.989 PRESSAVG: 4420600 -1.33768 -32.5346 27.6877 -32.5346 5.8588 9.89337 27.6877 9.89333 -31.9717 GPRESSAVG: 4420600 -0.652088 -32.1591 27.8308 -35.0976 5.34791 8.96133 28.1262 10.6988 -32.377 TIMING: 4420600 CPU: 14286.1, 0.003145/step Wall: 14286.1, 0.003145/step, 0.50617 hours remaining, 234.882812 MB of memory in use. ENERGY: 4420600 3960.4835 20437.3887 14464.7974 246.1725 -203311.4240 2474.2714 0.0000 0.0000 51992.0215 -109736.2888 298.7989 -161728.3104 -109371.0313 298.8536 -172.7327 -147.2589 760947.9516 -9.1502 -9.2271 PRESSURE: 4420800 -150.244 -120.93 -146.264 -120.931 71.6315 -91.179 -146.264 -91.178 137.084 GPRESSURE: 4420800 -48.9812 -100.576 -139.622 -160.972 140.409 70.1127 -169.59 -221.364 45.6204 PRESSAVG: 4420800 40.4693 -33.0733 -9.52243 -33.0733 -30.2414 57.1855 -9.52246 57.1855 -13.6777 GPRESSAVG: 4420800 40.808 -32.6681 -9.03235 -31.3946 -30.3546 56.9866 -8.59552 56.1974 -13.8775 TIMING: 4420800 CPU: 14286.7, 0.00312814/step Wall: 14286.7, 0.00312813/step, 0.503282 hours remaining, 234.882812 MB of memory in use. ENERGY: 4420800 4042.8235 20566.0175 14504.3935 251.8880 -203752.7904 2773.0996 0.0000 0.0000 51825.2667 -109789.3015 297.8405 -161614.5682 -109427.4296 298.6698 19.4904 45.6826 758794.6893 -1.1499 -1.1413 PRESSURE: 4421000 65.7639 140.889 -92.5096 140.889 21.5359 -78.1239 -92.5095 -78.1242 72.5503 GPRESSURE: 4421000 98.5866 154.741 -106.189 141.727 28.2127 -61.0994 -62.7118 1.62728 116.317 PRESSAVG: 4421000 50.371 19.5388 -66.9975 19.5388 -52.7985 32.5096 -66.9975 32.5097 4.2505 GPRESSAVG: 4421000 50.7961 19.6207 -68.274 18.7392 -53.1182 34.5958 -68.0678 32.8384 4.24387 TIMING: 4421000 CPU: 14287.3, 0.00313989/step Wall: 14287.3, 0.00313989/step, 0.504999 hours remaining, 234.882812 MB of memory in use. ENERGY: 4421000 3949.2749 20276.4758 14542.8124 245.8458 -203271.1486 2447.3053 0.0000 0.0000 52179.5831 -109629.8514 299.8768 -161809.4345 -109263.4104 298.6262 53.2834 81.0388 760944.4449 0.6077 0.6406 PRESSURE: 4421200 -384.451 58.2791 95.2529 58.2793 -132.039 7.58175 95.253 7.58197 8.72502 GPRESSURE: 4421200 -260.632 166.637 135.893 29.7251 -181.791 126.203 164.687 -52.7567 33.2341 PRESSAVG: 4421200 25.0437 8.13396 -54.9088 8.13391 -22.5299 3.80859 -54.9088 3.80859 29.2186 GPRESSAVG: 4421200 25.1417 9.50202 -54.1959 7.40392 -21.962 2.6317 -52.1271 6.87838 29.4102 TIMING: 4421200 CPU: 14288, 0.00314775/step Wall: 14288, 0.00314775/step, 0.506088 hours remaining, 234.882812 MB of memory in use. ENERGY: 4421200 3980.2224 20492.7099 14453.9191 264.6821 -202643.5627 2096.8102 0.0000 0.0000 51700.4321 -109654.7869 297.1231 -161355.2189 -109294.9474 298.7084 -169.2548 -136.3964 761612.1747 10.5775 10.8633 PRESSURE: 4421400 129.702 -145.412 -34.1673 -145.411 -162.118 -22.5841 -34.1676 -22.5828 -29.0517 GPRESSURE: 4421400 140.34 36.0428 -52.1788 -204.402 -126.752 -1.5645 -84.4831 -80.7755 0.05414 PRESSAVG: 4421400 56.3592 -2.1768 15.7476 -2.17676 -14.6698 0.702086 15.7476 0.702101 -6.39677 GPRESSAVG: 4421400 55.4636 -3.42948 13.9109 -0.725695 -14.8561 1.74636 14.9975 -2.24109 -5.81552 TIMING: 4421400 CPU: 14288.6, 0.00315473/step Wall: 14288.6, 0.00315473/step, 0.507035 hours remaining, 234.882812 MB of memory in use. ENERGY: 4421400 3992.4875 20259.1315 14395.2791 257.2064 -203002.4904 2480.2688 0.0000 0.0000 52005.2816 -109612.8356 298.8751 -161618.1171 -109253.3585 298.9419 -20.4891 4.5474 762614.7332 11.7642 11.5973 PRESSURE: 4421600 0.558078 138.055 16.5045 138.055 375.805 109.735 16.5041 109.736 38.7838 GPRESSURE: 4421600 69.0388 135.203 -53.5953 46.6695 389.673 103.914 60.425 34.0385 40.8558 PRESSAVG: 4421600 50.3957 -17.7403 -5.54755 -17.7404 -20.8388 -25.5126 -5.54756 -25.5125 8.17816 GPRESSAVG: 4421600 51.1255 -15.9024 -3.77506 -19.8872 -20.9384 -26.3099 -6.9142 -26.1703 7.84217 TIMING: 4421600 CPU: 14289.2, 0.00316529/step Wall: 14289.2, 0.00316529/step, 0.508557 hours remaining, 234.882812 MB of memory in use. ENERGY: 4421600 3922.5334 20354.4403 14452.7825 244.3436 -202779.2940 2358.5962 0.0000 0.0000 51992.0813 -109454.5166 298.7992 -161446.5979 -109084.7580 299.0399 138.3824 166.5225 761953.9091 12.5783 12.6764 PRESSURE: 4421800 -188.96 -38.5904 197.328 -38.5907 -80.3379 10.2962 197.329 10.2973 -95.9001 GPRESSURE: 4421800 -116.75 -43.0104 220.334 -81.2309 -146.93 -30.72 126.13 109.501 -31.9116 PRESSAVG: 4421800 43.4966 25.2753 4.21255 25.2752 1.38994 26.7624 4.21255 26.7624 18.7726 GPRESSAVG: 4421800 43.8241 23.9724 4.86225 26.7361 1.36759 27.0603 3.26012 28.1122 18.5296 TIMING: 4421800 CPU: 14289.9, 0.00313933/step Wall: 14289.9, 0.00313933/step, 0.504212 hours remaining, 234.882812 MB of memory in use. ENERGY: 4421800 3985.1405 20556.3348 14461.0025 245.6042 -202956.9612 2393.3355 0.0000 0.0000 51905.3234 -109410.2204 298.3006 -161315.5437 -109055.2912 299.0730 -121.7325 -98.5305 763046.7054 21.2197 21.2404 PRESSURE: 4422000 167.454 150.517 258.056 150.516 -87.1561 -189.211 258.056 -189.212 -21.5828 GPRESSURE: 4422000 166.4 125.234 308.749 211.8 -28.3234 -92.819 158.289 -186.676 15.5179 PRESSAVG: 4422000 49.5241 17.7739 9.78726 17.7739 -30.5417 37.2127 9.78729 37.2127 -4.07261 GPRESSAVG: 4422000 48.5912 16.2197 9.50649 20.1348 -29.2043 37.6775 9.94999 37.3946 -4.27068 TIMING: 4422000 CPU: 14290.5, 0.00314812/step Wall: 14290.5, 0.00314812/step, 0.505448 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4422000 4034.2894 20132.1899 14506.3033 243.4783 -203215.0530 2682.2970 0.0000 0.0000 52282.6853 -109333.8098 300.4693 -161616.4951 -108961.4883 299.4483 19.5717 51.1980 762191.7739 4.9699 5.0387 PRESSURE: 4422200 -174.251 7.324 -321.903 7.32457 -248.942 -56.5905 -321.903 -56.5905 -145.104 GPRESSURE: 4422200 -174.968 -113.892 -331.178 -188.077 -196.617 -45.0855 -281.313 -89.6741 -104.715 PRESSAVG: 4422200 6.70697 15.8491 -34.9648 15.8491 -8.97104 16.319 -34.9648 16.319 19.6549 GPRESSAVG: 4422200 7.33278 15.9342 -34.3564 11.5308 -10.4847 15.9634 -33.0525 15.058 20.1732 TIMING: 4422200 CPU: 14291.1, 0.00312749/step Wall: 14291.1, 0.00312749/step, 0.501962 hours remaining, 235.019531 MB of memory in use. ENERGY: 4422200 3991.3443 20509.9329 14590.4517 252.8912 -203063.0804 2378.7689 0.0000 0.0000 52189.2304 -109150.4611 299.9322 -161339.6915 -108782.0721 300.2871 -189.4324 -158.7665 762593.8798 5.7970 5.6738 PRESSURE: 4422400 -2.90934 -210.7 138.776 -210.701 0.397283 -130.644 138.775 -130.643 -259.487 GPRESSURE: 4422400 14.7139 -128.624 169.617 28.8455 -33.0795 -98.5923 186.619 -95.9068 -147.675 PRESSAVG: 4422400 -13.3191 -12.4702 33.1748 -12.4702 -16.1349 -36.9188 33.1747 -36.9187 1.7442 GPRESSAVG: 4422400 -13.9209 -11.2573 33.0015 -9.53181 -15.7818 -39.2981 31.7958 -35.02 2.16196 TIMING: 4422400 CPU: 14291.7, 0.00315275/step Wall: 14291.7, 0.00315275/step, 0.505841 hours remaining, 235.019531 MB of memory in use. ENERGY: 4422400 4058.9055 20505.0373 14504.9644 243.9001 -203358.9314 2674.2982 0.0000 0.0000 52273.9435 -109097.8826 300.4191 -161371.8260 -108738.2400 300.5335 -87.3331 -55.3469 761723.1373 -9.2366 -9.1802 PRESSURE: 4422600 -375.547 -55.7164 -341.551 -55.7172 -251.507 -25.062 -341.55 -25.0633 -420.08 GPRESSURE: 4422600 -289.81 26.8975 -399.106 7.48259 -332.256 -41.4125 -130.701 18.9144 -334.726 PRESSAVG: 4422600 -0.0301837 -39.1471 2.84018 -39.1471 -22.9521 8.83585 2.84019 8.83583 15.4442 GPRESSAVG: 4422600 2.14334 -39.4557 1.21209 -40.5329 -24.3552 10.8409 3.31447 6.90885 14.6571 TIMING: 4422600 CPU: 14292.4, 0.00313276/step Wall: 14292.4, 0.00313276/step, 0.502459 hours remaining, 235.019531 MB of memory in use. ENERGY: 4422600 3944.3859 20450.9457 14525.8150 228.7776 -202799.2775 2207.7042 0.0000 0.0000 52115.9939 -109325.6551 299.5113 -161441.6491 -108962.9234 300.3741 -349.0445 -318.9308 762555.6739 -2.5127 -2.5183 PRESSURE: 4422800 -240.442 -337.546 13.7038 -337.546 35.1634 43.6829 13.7041 43.6842 -75.1877 GPRESSURE: 4422800 -220.337 -366.402 4.70868 -233.039 69.4827 138.838 23.7697 -41.4963 -33.6823 PRESSAVG: 4422800 35.2697 -24.9867 -42.9427 -24.9866 -29.4265 9.5642 -42.9427 9.5643 -2.80141 GPRESSAVG: 4422800 34.6323 -24.5095 -39.4618 -23.9087 -28.8259 9.60267 -43.5776 10.7983 -3.08827 TIMING: 4422800 CPU: 14293, 0.00312914/step Wall: 14293, 0.00312914/step, 0.501705 hours remaining, 235.019531 MB of memory in use. ENERGY: 4422800 3984.3402 20433.0252 14376.2769 249.9584 -203672.0683 2585.4150 0.0000 0.0000 52440.1262 -109602.9263 301.3741 -162043.0526 -109236.9750 299.5131 -93.4887 -61.5122 761535.1073 1.0139 0.9060 PRESSURE: 4423000 -39.8062 -117.159 143.869 -117.16 -236.036 83.1813 143.869 83.1809 -58.8996 GPRESSURE: 4423000 0.373072 -121.35 241.08 -161.229 -244.929 147.898 -16.6576 58.2828 -4.47791 PRESSAVG: 4423000 55.1677 -6.18804 0.0649363 -6.18812 -36.4851 42.6964 0.0649011 42.6965 -0.304764 GPRESSAVG: 4423000 56.1832 -6.78182 -2.05326 -7.00194 -37.4236 43.8855 1.15798 40.2014 -0.601203 TIMING: 4423000 CPU: 14293.6, 0.00312213/step Wall: 14293.6, 0.00312213/step, 0.500408 hours remaining, 235.019531 MB of memory in use. ENERGY: 4423000 3989.6067 20355.3932 14520.4015 244.9546 -203443.7265 2571.9742 0.0000 0.0000 52129.6441 -109631.7521 299.5898 -161761.3963 -109271.9886 299.4135 -111.5807 -83.0112 761176.1639 6.1259 6.0528 PRESSURE: 4423200 -91.0765 190.014 -149.881 190.014 -138.354 220.861 -149.882 220.86 10.9076 GPRESSURE: 4423200 -97.2629 177.653 -151.203 169.081 -112.812 188.329 -113.724 234.022 73.5051 PRESSAVG: 4423200 -1.15334 -6.34117 28.7591 -6.34121 -35.8219 -4.02793 28.759 -4.02791 -12.3831 GPRESSAVG: 4423200 -2.39821 -7.13255 29.9314 -7.69631 -34.066 -6.77387 28.98 -2.87479 -12.776 TIMING: 4423200 CPU: 14294.2, 0.00312618/step Wall: 14294.2, 0.00312618/step, 0.500884 hours remaining, 235.019531 MB of memory in use. ENERGY: 4423200 4005.1971 20494.5958 14482.6139 246.3599 -203424.5057 2491.6528 0.0000 0.0000 51996.9924 -109707.0936 298.8274 -161704.0861 -109334.3643 298.6933 -72.8408 -45.5232 761248.6245 -16.4528 -16.4134 PRESSURE: 4423400 196.14 247.524 -130.366 247.525 -55.5028 132.09 -130.366 132.09 -293.94 GPRESSURE: 4423400 288.263 180.99 -137.044 132.28 0.1417 136.977 -53.2729 201.266 -351.393 PRESSAVG: 4423400 -24.3923 -13.5008 25.776 -13.5008 -10.4682 74.6415 25.776 74.6415 8.51668 GPRESSAVG: 4423400 -23.1039 -14.1949 25.7817 -12.4331 -11.0386 74.7002 25.638 74.8614 8.19209 TIMING: 4423400 CPU: 14294.9, 0.00313139/step Wall: 14294.9, 0.00313139/step, 0.501545 hours remaining, 235.019531 MB of memory in use. ENERGY: 4423400 3960.3546 20603.6047 14463.2574 251.6719 -203596.7093 2649.3821 0.0000 0.0000 52006.8173 -109661.6213 298.8839 -161668.4386 -109303.5847 299.1543 -51.1011 -20.9962 759774.1878 -8.7813 -8.6501 PRESSURE: 4423600 278.105 -133.465 275.236 -133.466 278.841 149.217 275.236 149.218 -161.934 GPRESSURE: 4423600 249.949 -168.906 150.21 -27.4098 320.152 172.152 392.514 10.9491 -101.907 PRESSAVG: 4423600 11.489 -26.7634 38.3956 -26.7634 35.2966 -3.49903 38.3956 -3.49902 -3.77059 GPRESSAVG: 4423600 9.74465 -25.7778 38.8927 -27.1754 35.4202 -3.46375 38.3703 -3.96355 -2.172 TIMING: 4423600 CPU: 14295.5, 0.00314517/step Wall: 14295.5, 0.00314517/step, 0.503576 hours remaining, 235.019531 MB of memory in use. ENERGY: 4423600 3991.4245 20492.7204 14511.2069 251.7978 -203539.1151 2504.1399 0.0000 0.0000 52015.2610 -109772.5646 298.9324 -161787.8256 -109406.2220 298.6753 131.6708 156.0649 759526.7338 14.3383 14.3310 PRESSURE: 4423800 -77.9539 165.373 -25.461 165.373 87.0503 97.1999 -25.4609 97.2004 -450.17 GPRESSURE: 4423800 -33.5015 168.794 27.8183 181.023 102.799 96.1329 -136.829 -95.9523 -440.564 PRESSAVG: 4423800 -16.8664 0.221032 11.714 0.221048 -8.19763 67.479 11.714 67.4791 16.8768 GPRESSAVG: 4423800 -17.9794 -0.191109 10.5849 2.0284 -7.55637 67.9232 11.5139 67.6634 16.964 TIMING: 4423800 CPU: 14296.1, 0.00313276/step Wall: 14296.1, 0.00313276/step, 0.501416 hours remaining, 235.019531 MB of memory in use. ENERGY: 4423800 3943.5842 20515.6323 14438.1257 245.7318 -203148.9011 2479.8999 0.0000 0.0000 51701.9416 -109823.9857 297.1318 -161525.9273 -109455.8477 298.3362 -147.0245 -123.7554 761195.0453 -2.7291 -2.8573 PRESSURE: 4424000 -127.044 50.7232 21.4871 50.7225 -327.477 31.3559 21.4868 31.3556 -540.506 GPRESSURE: 4424000 -83.6621 59.8531 -32.8084 -59.9993 -365.152 3.78284 84.567 -36.4334 -435.479 PRESSAVG: 4424000 36.814 34.5085 -26.153 34.5085 -16.752 37.2466 -26.1531 37.2466 17.1167 GPRESSAVG: 4424000 37.6673 34.6058 -27.2168 34.0807 -17.0138 37.3363 -25.6799 36.4049 16.7334 TIMING: 4424000 CPU: 14296.8, 0.00313987/step Wall: 14296.8, 0.00313987/step, 0.502379 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4424000 3960.1574 20489.0695 14399.5290 243.2952 -203130.9631 2363.6884 0.0000 0.0000 51915.8073 -109759.4162 298.3609 -161675.2235 -109391.4577 298.5116 -331.6757 -294.7644 758384.0109 12.3929 12.4623 PRESSURE: 4424200 93.963 39.6059 -126.132 39.6063 155.477 186.189 -126.131 186.19 -143.994 GPRESSURE: 4424200 107.075 64.6925 -143.79 -14.467 179.44 70.6403 -129.353 207.333 -121.29 PRESSAVG: 4424200 17.246 21.1796 -20.9423 21.1796 -46.0366 7.14477 -20.9423 7.14483 -14.2051 GPRESSAVG: 4424200 18.0317 22.3199 -19.1783 20.5179 -46.8378 5.4849 -23.8625 11.3582 -14.3486 TIMING: 4424200 CPU: 14297.4, 0.00314338/step Wall: 14297.4, 0.00314338/step, 0.502767 hours remaining, 235.019531 MB of memory in use. ENERGY: 4424200 3938.0159 20621.5405 14460.3018 274.6893 -203778.2264 2552.5713 0.0000 0.0000 52136.8919 -109794.2156 299.6314 -161931.1075 -109444.2698 298.4617 35.1488 55.0750 758690.3517 -14.3319 -14.3849 LDB: ============= START OF LOAD BALANCING ============== 14309.8 LDB: ============== END OF LOAD BALANCING =============== 14309.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14309.8 LDB: ============= START OF LOAD BALANCING ============== 14310.1 LDB: Largest compute 7031 load 0.031530 is 16.1% of average load 0.195598 LDB: Average compute 0.004407 is 2.3% of average load 0.195598 LDB: TIME 14310.1 LOAD: AVG 0.195598 MAX 0.212338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.707 MB LDB: TIME 14310.1 LOAD: AVG 0.195598 MAX 0.212338 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 14310.1 LOAD: AVG 0.195598 MAX 0.212338 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 14310.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14310.1 PRESSURE: 4424400 -220.475 257.402 -81.8345 257.402 -305.9 31.9973 -81.8343 31.9971 -33.9041 GPRESSURE: 4424400 -146.708 236.633 -119.15 276.529 -289.397 64.3272 52.2894 47.2331 -7.40813 PRESSAVG: 4424400 60.4617 -35.2786 -28.3943 -35.2787 -75.4617 30.8561 -28.3943 30.856 -18.3589 GPRESSAVG: 4424400 60.0938 -36.5475 -28.2503 -36.8683 -74.7556 31.8425 -26.2597 29.5395 -18.2206 TIMING: 4424400 CPU: 14298, 0.00320331/step Wall: 14298, 0.00320331/step, 0.512173 hours remaining, 235.710938 MB of memory in use. ENERGY: 4424400 3985.1410 20384.2931 14424.6700 247.9978 -203260.7477 2492.4366 0.0000 0.0000 51850.2886 -109875.9207 297.9843 -161726.2093 -109510.9833 298.3418 -186.7595 -147.8378 758880.4666 -11.1196 -10.9608 PRESSURE: 4424600 -236.823 -45.1606 -269.593 -45.1603 -49.5588 62.992 -269.592 62.9915 94.3233 GPRESSURE: 4424600 -227.567 -32.5851 -264.128 82.6413 19.96 55.6991 -253.346 21.3811 86.3202 PRESSAVG: 4424600 45.5893 -58.9783 22.048 -58.9783 -50.3432 7.02069 22.048 7.0207 22.1166 GPRESSAVG: 4424600 45.6301 -57.8549 21.0757 -58.7443 -49.8254 7.45536 21.7717 6.02589 21.2939 TIMING: 4424600 CPU: 14298.7, 0.00312122/step Wall: 14298.7, 0.00312122/step, 0.498876 hours remaining, 235.710938 MB of memory in use. ENERGY: 4424600 4096.7275 20491.6930 14438.9841 259.6300 -203292.4845 2280.9469 0.0000 0.0000 52077.8700 -109646.6329 299.2922 -161724.5030 -109277.6810 298.4852 -64.0196 -40.4289 760685.1414 5.7875 5.6995 PRESSURE: 4424800 39.1667 -17.5263 141.351 -17.5262 -3.77644 -58.0088 141.351 -58.0096 -22.989 GPRESSURE: 4424800 88.7242 -37.0226 133.393 -2.71664 56.1574 -52.1445 69.4279 -107.359 -56.6032 PRESSAVG: 4424800 55.8762 -51.0515 -43.9195 -51.0515 -15.7481 1.67973 -43.9195 1.67965 -1.57945 GPRESSAVG: 4424800 55.6134 -50.0505 -44.0361 -51.5419 -16.2201 1.39935 -43.5646 3.29454 -1.06898 TIMING: 4424800 CPU: 14299.3, 0.00313483/step Wall: 14299.3, 0.00313483/step, 0.500876 hours remaining, 235.695312 MB of memory in use. ENERGY: 4424800 4001.1926 20595.2160 14432.2363 258.8657 -203024.1940 2150.6997 0.0000 0.0000 51983.7284 -109602.2552 298.7512 -161585.9837 -109244.9465 298.9330 4.1337 29.4261 759884.5407 12.8496 12.7748 PRESSURE: 4425000 -11.9465 119.514 124.921 119.514 -24.0177 -68.2488 124.921 -68.2488 -303.227 GPRESSURE: 4425000 38.5798 42.3379 110.138 163.013 41.7372 -58.5103 141.369 -59.5017 -316.284 PRESSAVG: 4425000 52.9551 2.32616 15.7901 2.32617 -82.017 6.81201 15.7901 6.8121 -20.2797 GPRESSAVG: 4425000 53.1867 0.29381 14.6916 2.5166 -82.4008 8.24366 18.5255 4.07483 -19.2745 TIMING: 4425000 CPU: 14299.9, 0.00313527/step Wall: 14299.9, 0.00313527/step, 0.500772 hours remaining, 235.695312 MB of memory in use. ENERGY: 4425000 4110.8402 20491.9367 14434.1686 237.2268 -203295.5320 2460.6034 0.0000 0.0000 51987.9193 -109572.8370 298.7753 -161560.7563 -109211.8469 299.2622 -113.0637 -78.6556 759469.0236 -16.4472 -16.1629 PRESSURE: 4425200 -230.561 -180.248 12.4998 -180.248 -160.583 101.496 12.5008 101.497 -129.319 GPRESSURE: 4425200 -282.651 -161.102 31.0495 -63.2034 -43.1065 104.998 -76.1548 43.6562 -116.029 PRESSAVG: 4425200 36.8816 -28.7701 23.2911 -28.7702 -46.9659 -6.62083 23.2911 -6.6208 8.92836 GPRESSAVG: 4425200 36.5137 -28.7111 24.462 -26.659 -45.3282 -7.40431 20.0947 -6.71802 7.52372 TIMING: 4425200 CPU: 14300.5, 0.00316531/step Wall: 14300.5, 0.00316531/step, 0.505394 hours remaining, 235.710938 MB of memory in use. ENERGY: 4425200 4055.1644 20530.5743 14498.6593 242.9316 -203003.3022 2168.1063 0.0000 0.0000 51862.4525 -109645.4138 298.0542 -161507.8663 -109287.3263 298.9040 -173.4880 -147.2622 760010.8490 -0.3853 -0.4303 PRESSURE: 4425400 -40.0182 -79.7155 -42.0114 -79.7157 277.795 -85.2626 -42.0114 -85.2612 18.8429 GPRESSURE: 4425400 41.1423 54.4014 -93.0483 -87.7954 234.626 39.9344 43.9616 -126.591 43.6253 PRESSAVG: 4425400 28.487 -0.0462048 -45.4092 -0.046155 -15.7199 18.8461 -45.4092 18.8461 0.819724 GPRESSAVG: 4425400 28.8662 -0.232969 -45.1628 -1.34725 -17.1208 17.6119 -48.081 19.9572 1.9028 TIMING: 4425400 CPU: 14301.2, 0.00313512/step Wall: 14301.2, 0.00313512/step, 0.500401 hours remaining, 235.710938 MB of memory in use. ENERGY: 4425400 3894.2277 20524.9020 14489.2405 228.2214 -203445.4975 2444.1607 0.0000 0.0000 52244.8654 -109619.8797 300.2520 -161864.7452 -109252.1795 298.8266 85.5400 106.4644 760429.9600 4.5289 4.5494 PRESSURE: 4425600 71.394 -298.637 380.896 -298.637 -111.945 -296.144 380.897 -296.143 -16.9581 GPRESSURE: 4425600 69.3131 -325.479 239.503 -182.456 -36.1256 -254.43 308.467 -222.213 -1.19741 PRESSAVG: 4425600 11.1687 -8.88486 23.0884 -8.88492 -12.7322 -29.3701 23.0884 -29.3701 -20.3686 GPRESSAVG: 4425600 11.2244 -7.46616 22.9157 -8.59992 -11.6148 -29.464 25.5787 -29.2875 -21.041 TIMING: 4425600 CPU: 14301.8, 0.00313508/step Wall: 14301.8, 0.00313508/step, 0.50022 hours remaining, 235.710938 MB of memory in use. ENERGY: 4425600 3997.4509 20550.1697 14442.5904 239.3424 -203450.7516 2484.4166 0.0000 0.0000 52001.8928 -109734.8887 298.8556 -161736.7815 -109367.2785 298.6944 -19.1698 10.6633 760586.7514 -7.3107 -7.1438 PRESSURE: 4425800 407.887 54.4838 175.874 54.485 -147.731 87.2422 175.874 87.2417 411.85 GPRESSURE: 4425800 421.546 -36.5704 164.58 -2.80517 -157.9 87.7255 168.457 73.2619 480.096 PRESSAVG: 4425800 12.0706 -40.6001 -14.0181 -40.6002 -23.6352 15.418 -14.0181 15.4181 5.07084 GPRESSAVG: 4425800 11.3932 -40.6218 -13.7623 -41.4355 -23.2181 14.7361 -12.5656 14.5121 4.92303 TIMING: 4425800 CPU: 14302.4, 0.00313929/step Wall: 14302.4, 0.00313929/step, 0.500717 hours remaining, 235.710938 MB of memory in use. ENERGY: 4425800 3891.6630 20558.8743 14427.5215 252.1731 -203149.1110 2426.3229 0.0000 0.0000 51993.5487 -109599.0075 298.8076 -161592.5562 -109234.3491 299.1204 224.0024 247.9141 760800.6949 -2.1646 -2.3006 PRESSURE: 4426000 -29.1904 -70.1633 46.0298 -70.163 -540.332 -237.927 46.0297 -237.927 -243.396 GPRESSURE: 4426000 -57.8118 -28.1939 67.9623 -12.8832 -401.54 -221.518 70.8436 -170.606 -265.732 PRESSAVG: 4426000 34.4251 -10.6803 17.3019 -10.6804 -48.8116 -14.3097 17.302 -14.3097 7.17782 GPRESSAVG: 4426000 34.5365 -11.6448 16.395 -10.5963 -49.8846 -13.3184 16.4622 -13.5298 7.87811 TIMING: 4426000 CPU: 14303, 0.00313457/step Wall: 14303, 0.00313457/step, 0.49979 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 4053.6784 20329.3873 14520.0419 251.9182 -203155.8409 2352.7772 0.0000 0.0000 52103.0847 -109544.9531 299.4371 -161648.0378 -109179.1064 299.1482 -270.9729 -241.6947 760683.4021 -2.4029 -2.4900 PRESSURE: 4426200 -146.438 -71.3929 -224.07 -71.3922 -207.282 -70.9867 -224.07 -70.9876 47.4559 GPRESSURE: 4426200 -148.18 -7.83281 -146.215 -139.188 -169.821 -97.423 -112.105 -117.135 111.648 PRESSAVG: 4426200 76.1598 -15.586 -6.49278 -15.586 -50.8617 21.5714 -6.49283 21.5714 11.3395 GPRESSAVG: 4426200 75.7355 -14.7893 -6.76676 -18.2124 -50.3708 20.7651 -3.32601 19.194 11.4289 TIMING: 4426200 CPU: 14303.7, 0.00315306/step Wall: 14303.7, 0.00315306/step, 0.502562 hours remaining, 235.710938 MB of memory in use. ENERGY: 4426200 4053.0947 20391.8712 14389.4726 258.4860 -203362.7938 2700.9511 0.0000 0.0000 52100.5398 -109468.3784 299.4225 -161568.9182 -109107.9940 299.3832 -102.0884 -68.7842 760530.6759 12.2125 12.2645 PRESSURE: 4426400 332.648 41.8445 48.2822 41.8442 -363.38 -5.31773 48.2831 -5.3169 85.8084 GPRESSURE: 4426400 298.203 6.29753 31.4969 -66.3612 -237.578 14.9873 -22.3496 -121.984 84.4511 PRESSAVG: 4426400 49.191 -18.9831 -1.03484 -18.9831 -68.7834 -3.32114 -1.03485 -3.32123 11.1342 GPRESSAVG: 4426400 49.3817 -18.7527 0.57203 -18.2996 -68.98 -2.41775 -4.19766 -2.15954 10.7461 TIMING: 4426400 CPU: 14304.3, 0.00314358/step Wall: 14304.3, 0.00314358/step, 0.500876 hours remaining, 235.722656 MB of memory in use. ENERGY: 4426400 4003.8780 20410.7417 14330.8509 238.9462 -203369.1431 2694.3717 0.0000 0.0000 52237.9603 -109452.3943 300.2123 -161690.3547 -109076.8197 299.3146 18.3587 48.3590 759624.7536 -2.8194 -2.9507 PRESSURE: 4426600 131.929 -39.6212 437.605 -39.6221 329.207 -7.88994 437.605 -7.89051 0.888498 GPRESSURE: 4426600 190.158 62.5936 400.372 -93.4958 253.271 54.9855 271.188 4.03946 94.5053 PRESSAVG: 4426600 117.097 24.94 62.1959 24.9399 -59.4666 57.6139 62.1959 57.614 -9.7874 GPRESSAVG: 4426600 117.375 24.4683 60.9114 26.5629 -59.0888 57.9273 60.2898 57.5154 -10.1271 TIMING: 4426600 CPU: 14304.9, 0.00315973/step Wall: 14304.9, 0.00315973/step, 0.503275 hours remaining, 235.722656 MB of memory in use. ENERGY: 4426600 3996.1528 20684.2858 14485.0438 251.4384 -203261.6733 2554.5024 0.0000 0.0000 51857.0605 -109433.1895 298.0232 -161290.2500 -109072.1640 299.5023 154.0081 179.3113 761337.1061 15.9475 16.0529 PRESSURE: 4426800 199.788 125.498 -171.351 125.497 93.368 98.6715 -171.351 98.6709 -305.315 GPRESSURE: 4426800 185.594 -13.6032 -99.8857 73.7892 73.0733 95.7712 -156.357 85.1732 -204.221 PRESSAVG: 4426800 0.359749 -51.9625 -56.2025 -51.9625 -21.5348 17.8051 -56.2026 17.8051 0.485895 GPRESSAVG: 4426800 1.02584 -52.5406 -55.493 -53.5351 -23.2561 17.0302 -55.2289 19.0087 1.61795 TIMING: 4426800 CPU: 14305.6, 0.00315639/step Wall: 14305.6, 0.00315639/step, 0.502568 hours remaining, 235.722656 MB of memory in use. ENERGY: 4426800 4083.0750 20567.7722 14457.1875 255.0045 -202983.0898 2413.0811 0.0000 0.0000 51751.4248 -109455.5448 297.4161 -161206.9695 -109099.8837 299.4068 -4.0530 18.1489 761759.3117 -6.8964 -6.8708 PRESSURE: 4427000 57.0219 -96.652 -117.399 -96.6522 -5.4837 -182.566 -117.399 -182.567 -51.5619 GPRESSURE: 4427000 -65.1553 -93.3822 -114.965 -171.566 203.385 -183.202 -102.163 -110.861 -36.291 PRESSAVG: 4427000 21.3369 -36.7483 1.0629 -36.7482 -75.2967 -47.0898 1.06294 -47.0899 -8.57499 GPRESSAVG: 4427000 20.2978 -36.3798 0.12936 -36.1856 -73.9441 -46.0472 3.83819 -49.6963 -8.67829 TIMING: 4427000 CPU: 14306.2, 0.0031526/step Wall: 14306.2, 0.0031526/step, 0.501789 hours remaining, 235.722656 MB of memory in use. ENERGY: 4427000 3972.2969 20542.5597 14455.5626 252.0820 -203297.5261 2545.8248 0.0000 0.0000 51999.3763 -109529.8239 298.8411 -161529.2001 -109165.6572 299.5839 -0.0079 33.9797 759950.9796 -20.8449 -20.7749 PRESSURE: 4427200 294.266 53.1085 -79.8424 53.1085 -47.7403 -49.2152 -79.8419 -49.2142 52.5336 GPRESSURE: 4427200 333.567 -72.8453 48.2806 119.046 47.3998 -146.265 -109.022 -101.305 19.6221 PRESSAVG: 4427200 13.3492 -17.6139 12.9468 -17.6139 -7.29414 -58.1112 12.9467 -58.1111 1.43885 GPRESSAVG: 4427200 13.5528 -17.4807 13.4268 -15.5814 -6.10305 -58.8382 10.3413 -56.7684 0.679106 TIMING: 4427200 CPU: 14306.8, 0.00315298/step Wall: 14306.8, 0.00315298/step, 0.501675 hours remaining, 235.722656 MB of memory in use. ENERGY: 4427200 4011.6922 20293.8518 14497.3776 250.0682 -203375.0863 2620.8709 0.0000 0.0000 52023.4563 -109677.7693 298.9795 -161701.2256 -109312.6210 298.9684 99.6864 133.5298 761352.6086 2.4980 2.7096 PRESSURE: 4427400 -25.6458 209.895 53.7035 209.895 -255.265 -221.103 53.7042 -221.103 211.997 GPRESSURE: 4427400 22.4942 231.666 -19.924 207.787 -295.109 -236.502 -53.4871 -10.6702 292.223 PRESSAVG: 4427400 51.125 -8.63898 -8.01814 -8.63897 -63.4261 40.5781 -8.01823 40.5782 -12.0947 GPRESSAVG: 4427400 52.6817 -8.08062 -7.76464 -10.7455 -65.0573 39.9932 -8.16329 41.6789 -11.1762 TIMING: 4427400 CPU: 14307.5, 0.00313885/step Wall: 14307.5, 0.00313885/step, 0.499251 hours remaining, 235.722656 MB of memory in use. ENERGY: 4427400 4019.6117 20407.0723 14447.6409 263.7378 -203253.9516 2387.7343 0.0000 0.0000 51849.9260 -109878.2287 297.9822 -161728.1547 -109520.7657 298.9476 -22.9712 6.5361 760031.1119 -8.1319 -7.8506 PRESSURE: 4427600 58.3928 -171.725 188.606 -171.725 -96.9292 166.375 188.606 166.376 152.726 GPRESSURE: 4427600 9.63074 -153.453 197.153 -169.556 2.47529 92.5446 193.56 191.426 193.015 PRESSAVG: 4427600 44.9944 -49.2052 7.06009 -49.2052 -85.7413 2.84519 7.06006 2.84516 -0.0450059 GPRESSAVG: 4427600 43.3661 -50.6674 5.62709 -48.1436 -84.586 3.87242 8.77632 3.7454 -0.450585 TIMING: 4427600 CPU: 14308.1, 0.00314035/step Wall: 14308.1, 0.00314035/step, 0.499316 hours remaining, 235.722656 MB of memory in use. ENERGY: 4427600 3960.9010 20476.4676 14438.5314 240.7623 -203147.2704 2435.6521 0.0000 0.0000 51860.0731 -109734.8829 298.0406 -161594.9560 -109367.7549 298.5634 38.0631 68.3737 760621.0765 -13.5973 -13.8902 PRESSURE: 4427800 -123.222 204.301 -95.864 204.301 37.3963 42.0108 -95.8639 42.012 -9.99423 GPRESSURE: 4427800 -82.1656 283.883 50.13 178.098 -35.7172 -15.9702 -195.91 21.7636 104.478 PRESSAVG: 4427800 66.1941 -8.53313 3.52946 -8.53308 -40.1474 -9.45005 3.52953 -9.4501 5.29513 GPRESSAVG: 4427800 66.4865 -7.61673 3.79566 -10.8117 -40.1248 -11.2687 1.58813 -10.029 5.13897 TIMING: 4427800 CPU: 14308.7, 0.00316055/step Wall: 14308.7, 0.00316055/step, 0.502351 hours remaining, 235.722656 MB of memory in use. ENERGY: 4427800 3927.8452 20523.3090 14450.8408 247.9747 -203215.5236 2507.0149 0.0000 0.0000 51767.9568 -109790.5822 297.5112 -161558.5390 -109438.3015 299.0506 -31.9400 -4.4682 761417.6958 10.4473 10.5002 PRESSURE: 4428000 -175.988 -57.8918 204.98 -57.8916 213.158 251.529 204.98 251.528 265.109 GPRESSURE: 4428000 -62.307 -91.5041 105.361 14.3736 154.422 309.154 301.532 204.766 276.304 PRESSAVG: 4428000 31.6019 -12.7725 5.35788 -12.7724 -8.64235 -27.9894 5.35792 -27.9893 -6.11867 GPRESSAVG: 4428000 32.6351 -12.1315 3.82404 -10.4332 -9.15916 -26.9513 7.19118 -28.0175 -6.81346 TIMING: 4428000 CPU: 14309.3, 0.00313632/step Wall: 14309.3, 0.00313632/step, 0.498326 hours remaining, 235.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 4002.4566 20468.4120 14495.3055 258.2243 -203264.6755 2435.1691 0.0000 0.0000 52055.5329 -109549.5751 299.1639 -161605.1080 -109186.3144 298.7653 100.7596 122.8062 759319.8703 5.6136 5.5541 PRESSURE: 4428200 77.4174 -161.197 -120.998 -161.197 -22.8173 -250.181 -120.998 -250.18 -444.39 GPRESSURE: 4428200 109.405 -182.711 -81.9987 -226.439 -1.2841 -202.993 -152.916 -341.812 -411.247 PRESSAVG: 4428200 33.3193 -50.4295 23.8633 -50.4295 15.5984 -45.6249 23.8633 -45.6248 -3.99427 GPRESSAVG: 4428200 31.848 -52.3871 26.5655 -52.8906 17.3834 -46.4698 21.1926 -47.9488 -4.50988 TIMING: 4428200 CPU: 14310, 0.0031488/step Wall: 14310, 0.0031488/step, 0.500134 hours remaining, 235.722656 MB of memory in use. ENERGY: 4428200 3998.4346 20521.1623 14484.5526 235.1267 -203526.3465 2593.9192 0.0000 0.0000 51974.3895 -109718.7616 298.6975 -161693.1511 -109360.1103 298.9948 -129.9300 -101.0421 759778.3186 14.9745 14.9072 LDB: ============= START OF LOAD BALANCING ============== 14322.4 LDB: ============== END OF LOAD BALANCING =============== 14322.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14322.4 LDB: ============= START OF LOAD BALANCING ============== 14322.7 LDB: Largest compute 7047 load 0.030165 is 15.4% of average load 0.195552 LDB: Average compute 0.004404 is 2.3% of average load 0.195552 LDB: TIME 14322.7 LOAD: AVG 0.195552 MAX 0.212299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.48 MB LDB: TIME 14322.7 LOAD: AVG 0.195552 MAX 0.212299 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: TIME 14322.7 LOAD: AVG 0.195552 MAX 0.212299 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: ============== END OF LOAD BALANCING =============== 14322.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14322.7 PRESSURE: 4428400 -8.76589 -30.6273 -2.05882 -30.6264 -63.0277 71.1975 -2.05771 71.1972 19.674 GPRESSURE: 4428400 54.1453 -136.332 17.8373 -43.7101 -61.2181 41.6618 76.6654 -9.85923 41.864 PRESSAVG: 4428400 0.53513 -73.2121 14.554 -73.2121 -33.0162 -21.161 14.554 -21.161 -16.0888 GPRESSAVG: 4428400 1.66595 -73.7245 14.9213 -70.7789 -35.1953 -19.6719 16.926 -20.0866 -15.4129 TIMING: 4428400 CPU: 14310.6, 0.0032265/step Wall: 14310.6, 0.0032265/step, 0.512296 hours remaining, 235.511719 MB of memory in use. ENERGY: 4428400 3986.5681 20483.1155 14557.9015 256.3810 -203233.1545 2371.1600 0.0000 0.0000 51953.1693 -109624.8591 298.5756 -161578.0284 -109265.5555 298.5435 -17.3732 11.5970 760121.5828 -16.1900 -16.3141 PRESSURE: 4428600 -20.4371 -271.348 114.568 -271.347 65.6274 -122.067 114.568 -122.068 77.9509 GPRESSURE: 4428600 -12.3435 -327.491 179.508 -234.204 40.7171 -174.306 138.723 -61.1602 186.687 PRESSAVG: 4428600 7.44476 -126.186 48.2466 -126.186 13.7671 -27.815 48.2466 -27.815 17.3223 GPRESSAVG: 4428600 6.40167 -124.818 46.0224 -128.454 13.4954 -27.7423 46.8342 -28.3272 18.2213 TIMING: 4428600 CPU: 14311.3, 0.00316061/step Wall: 14311.3, 0.00316061/step, 0.501658 hours remaining, 235.710938 MB of memory in use. ENERGY: 4428600 3956.6211 20607.8358 14472.2080 218.6773 -203784.4715 2796.5585 0.0000 0.0000 51998.5558 -109734.0150 298.8364 -161732.5708 -109384.8842 299.1972 41.0471 71.6868 761475.0140 12.8447 12.7061 PRESSURE: 4428800 219.757 -168.157 94.1712 -168.157 -208.237 -31.8307 94.1708 -31.8307 640.125 GPRESSURE: 4428800 267.204 -147.377 80.6408 -216.176 -83.6689 85.4617 25.9087 -86.0831 553.684 PRESSAVG: 4428800 11.3068 -5.92448 29.0456 -5.9245 -49.7561 -56.9658 29.0456 -56.9658 24.6564 GPRESSAVG: 4428800 10.8349 -6.20143 31.5563 -3.94109 -49.2828 -57.4459 29.9537 -55.8409 24.5997 TIMING: 4428800 CPU: 14311.9, 0.0031281/step Wall: 14311.9, 0.0031281/step, 0.496325 hours remaining, 235.847656 MB of memory in use. ENERGY: 4428800 3992.9876 20633.9572 14557.4474 244.9423 -203474.3483 2495.9737 0.0000 0.0000 51821.8369 -109727.2033 297.8208 -161549.0401 -109374.8871 298.8437 217.2149 245.7398 761224.9667 -4.5976 -4.6161 PRESSURE: 4429000 301.635 60.8638 34.7404 60.8634 37.2438 173.778 34.7408 173.777 -201.701 GPRESSURE: 4429000 295.974 19.4849 74.4599 153.376 55.2565 282.291 -141.471 112.052 -133.668 PRESSAVG: 4429000 42.0225 -32.2895 -16.3 -32.2896 -76.8012 0.736386 -16.3001 0.736395 -7.18101 GPRESSAVG: 4429000 41.8919 -32.2188 -16.6798 -32.7204 -75.75 0.645372 -17.7812 0.206059 -7.68088 TIMING: 4429000 CPU: 14312.5, 0.00312861/step Wall: 14312.5, 0.00312862/step, 0.496233 hours remaining, 235.847656 MB of memory in use. ENERGY: 4429000 3952.8678 20618.4923 14518.3442 250.8539 -203425.4665 2639.4689 0.0000 0.0000 51832.3656 -109613.0738 297.8813 -161445.4394 -109252.8793 298.6483 45.7258 72.5207 761384.7511 -13.9866 -13.8463 PRESSURE: 4429200 -217.889 -30.8236 225.633 -30.8232 -225.771 46.6239 225.633 46.6229 -439.933 GPRESSURE: 4429200 -283.881 16.792 187.845 35.8581 -154.111 -50.6319 195.889 -44.7222 -380.369 PRESSAVG: 4429200 -22.3197 -38.856 -32.41 -38.856 -4.89943 -34.2346 -32.41 -34.2346 10.5924 GPRESSAVG: 4429200 -21.8579 -37.2836 -35.356 -39.9616 -5.45003 -33.8315 -30.1712 -35.2136 9.67079 TIMING: 4429200 CPU: 14313.1, 0.0031427/step Wall: 14313.1, 0.0031427/step, 0.498293 hours remaining, 235.906250 MB of memory in use. ENERGY: 4429200 3962.0323 20547.6641 14492.3255 235.6326 -202883.4206 2197.2287 0.0000 0.0000 51632.9400 -109815.5975 296.7352 -161448.5375 -109454.7899 298.6628 -294.5311 -272.7871 763230.6734 -5.5422 -5.8791 PRESSURE: 4429400 -138.506 -44.0585 -34.2144 -44.058 13.7293 -269.332 -34.2148 -269.332 -141.855 GPRESSURE: 4429400 -128.768 -26.4386 68.0894 -127.762 37.6973 -244.602 -1.13392 -308.054 -91.1806 PRESSAVG: 4429400 -35.942 -24.6539 -4.76615 -24.6538 23.798 -43.5751 -4.76611 -43.5752 11.2805 GPRESSAVG: 4429400 -36.7926 -25.8755 -3.17805 -25.0201 24.022 -44.3923 -7.14663 -41.7279 11.8047 TIMING: 4429400 CPU: 14313.8, 0.00315547/step Wall: 14313.8, 0.00315547/step, 0.500142 hours remaining, 235.960938 MB of memory in use. ENERGY: 4429400 3876.9455 20435.0185 14502.6427 248.3570 -203282.8858 2350.3278 0.0000 0.0000 52107.4329 -109762.1616 299.4621 -161869.5944 -109405.1006 298.5099 -88.8773 -60.7505 762214.3930 -0.2878 -0.3219 PRESSURE: 4429600 144.333 -170.754 -1.74825 -170.754 176.87 6.21 -1.74798 6.20927 155.077 GPRESSURE: 4429600 209.337 -102.009 -93.1263 -121.992 146.866 53.0693 -48.6947 31.819 222.129 PRESSAVG: 4429600 -28.1833 -53.9936 -6.0963 -53.9936 18.1827 18.4014 -6.0963 18.4014 -4.16713 GPRESSAVG: 4429600 -27.0909 -56.7245 -3.82783 -50.5359 18.3842 22.2676 -6.93432 17.0071 -5.34522 TIMING: 4429600 CPU: 14314.4, 0.00313146/step Wall: 14314.4, 0.00313146/step, 0.496162 hours remaining, 236.031250 MB of memory in use. ENERGY: 4429600 3960.3622 20486.4495 14462.4432 258.4941 -203387.5648 2671.9416 0.0000 0.0000 52034.2553 -109513.6190 299.0416 -161547.8743 -109140.7337 298.9965 158.7599 192.7773 760750.0195 -4.7226 -4.6840 PRESSURE: 4429800 68.1227 14.7615 -207.28 14.7615 137.892 38.2081 -207.279 38.2083 414.682 GPRESSURE: 4429800 144.534 4.68342 -251.434 -48.1589 150.789 76.7298 -62.6156 100.644 403.766 PRESSAVG: 4429800 36.0966 -69.9687 -1.13657 -69.9687 -7.0897 23.3319 -1.13659 23.332 -0.223977 GPRESSAVG: 4429800 36.5085 -67.782 -3.3188 -71.6105 -7.67751 21.949 0.591104 23.3002 0.0218208 TIMING: 4429800 CPU: 14315, 0.00315685/step Wall: 14315, 0.00315685/step, 0.50001 hours remaining, 236.031250 MB of memory in use. ENERGY: 4429800 4017.9188 20382.3860 14446.0284 225.7641 -203288.9619 2509.3564 0.0000 0.0000 52079.2938 -109628.2145 299.3004 -161707.5082 -109267.1741 298.8397 206.8989 233.0298 760934.2719 9.5943 9.6176 PRESSURE: 4430000 -75.9132 -114.073 -166.252 -114.073 -304.994 83.4365 -166.253 83.4369 181.461 GPRESSURE: 4430000 -92.3497 -4.16134 -62.6931 45.4045 -255.157 73.37 -136.46 223.843 217.406 PRESSAVG: 4430000 27.7742 -73.5382 -49.2499 -73.5381 24.8883 -42.2393 -49.2498 -42.2393 -15.225 GPRESSAVG: 4430000 28.1815 -75.366 -50.2107 -72.0036 24.3798 -42.3239 -48.4013 -41.5412 -14.877 TIMING: 4430000 CPU: 14315.7, 0.00314494/step Wall: 14315.7, 0.00314494/step, 0.497949 hours remaining, 236.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4430000 4020.9597 20516.6659 14415.8640 244.2486 -203050.2016 2437.9613 0.0000 0.0000 52092.1293 -109322.3728 299.3742 -161414.5021 -108969.6608 298.8783 -66.4820 -43.3669 762930.5756 12.4792 12.5614 PRESSURE: 4430200 59.4864 70.4408 -34.4802 70.441 42.5069 117.509 -34.4804 117.51 -6.74084 GPRESSURE: 4430200 109.863 81.5226 22.3575 33.5227 137.382 27.0121 -14.3748 142.5 -64.1334 PRESSAVG: 4430200 9.8804 5.58281 -75.3908 5.58286 -30.8 -32.2038 -75.3908 -32.2039 24.9102 GPRESSAVG: 4430200 8.87036 5.18706 -74.236 4.75039 -29.348 -33.491 -77.7608 -33.7255 25.0437 TIMING: 4430200 CPU: 14316.3, 0.00313445/step Wall: 14316.3, 0.00313445/step, 0.496114 hours remaining, 236.031250 MB of memory in use. ENERGY: 4430200 3956.8361 20404.5390 14477.2216 239.1996 -203431.1023 2836.3472 0.0000 0.0000 52204.0740 -109312.8848 300.0175 -161516.9588 -108945.8301 299.3376 31.7508 61.0373 762194.1908 1.3302 1.5220 PRESSURE: 4430400 18.131 -87.9067 -86.9103 -87.9068 221.809 2.67683 -86.9098 2.67793 -131.756 GPRESSURE: 4430400 64.9306 -113.587 -127.32 -89.9109 201.877 27.6658 -80.8549 -30.2 -60.3519 PRESSAVG: 4430400 -57.6642 17.7989 12.1107 17.7989 30.7307 -18.1783 12.1107 -18.1783 14.8368 GPRESSAVG: 4430400 -57.5324 20.0998 13.8494 18.5629 30.7855 -20.3939 12.7716 -16.4019 14.9301 TIMING: 4430400 CPU: 14316.9, 0.00314391/step Wall: 14316.9, 0.00314391/step, 0.497436 hours remaining, 236.031250 MB of memory in use. ENERGY: 4430400 3924.8402 20460.4924 14404.2854 245.7337 -202848.2668 2519.8992 0.0000 0.0000 52082.7362 -109210.2799 299.3202 -161293.0161 -108842.9055 299.6453 36.0612 68.8186 762233.6446 -4.0322 -3.9389 PRESSURE: 4430600 95.8589 -4.90625 -51.3592 -4.90591 92.8086 -195.326 -51.3591 -195.325 170.732 GPRESSURE: 4430600 154.377 -30.8381 46.5099 -66.8836 166.798 -159.84 -134.623 -125.39 124.844 PRESSAVG: 4430600 44.9853 32.3672 44.9237 32.3672 -38.9578 21.0173 44.9237 21.0172 -13.2277 GPRESSAVG: 4430600 44.5346 31.4889 44.3716 30.6489 -39.2773 24.7302 42.9223 19.0794 -12.4649 TIMING: 4430600 CPU: 14317.5, 0.00314255/step Wall: 14317.5, 0.00314255/step, 0.497046 hours remaining, 236.031250 MB of memory in use. ENERGY: 4430600 4005.4271 20618.6326 14385.8572 245.8622 -203062.2689 2527.7682 0.0000 0.0000 52203.9352 -109074.7864 300.0167 -161278.7216 -108722.0676 300.3001 119.7998 148.6728 760872.1289 -2.4001 -2.4026 PRESSURE: 4430800 -9.51061 -52.148 -132.319 -52.1475 100.87 -54.4181 -132.319 -54.4179 137.421 GPRESSURE: 4430800 102.323 -64.4032 -55.8908 41.2787 106.371 -30.2666 -137.019 -48.1692 85.5329 PRESSAVG: 4430800 31.1761 -27.1091 -35.3603 -27.1092 -13.8786 30.4227 -35.3603 30.4227 1.4486 GPRESSAVG: 4430800 32.6861 -26.3187 -35.6422 -25.7033 -13.982 28.2004 -34.6291 29.5533 -0.169449 TIMING: 4430800 CPU: 14318.2, 0.00312543/step Wall: 14318.2, 0.00312543/step, 0.494165 hours remaining, 236.031250 MB of memory in use. ENERGY: 4430800 3938.3291 20568.6150 14411.4789 269.6292 -202923.2631 2453.9691 0.0000 0.0000 52381.9444 -108899.2975 301.0398 -161281.2419 -108532.2653 300.4585 76.2603 98.0755 759293.8638 6.2487 6.1782 PRESSURE: 4431000 85.7187 -29.3359 38.5158 -29.3351 -210.34 44.9369 38.516 44.936 -260.734 GPRESSURE: 4431000 120 -67.116 86.408 -40.7666 -163.866 59.8396 -12.5585 64.8371 -282.392 PRESSAVG: 4431000 -14.0537 5.77241 -7.6263 5.77244 -21.7887 9.54912 -7.62626 9.54921 15.3774 GPRESSAVG: 4431000 -13.0479 4.06809 -7.32477 4.45443 -23.4937 9.51284 -5.32382 11.7373 16.2001 TIMING: 4431000 CPU: 14318.8, 0.0031331/step Wall: 14318.8, 0.0031331/step, 0.495205 hours remaining, 236.031250 MB of memory in use. ENERGY: 4431000 4046.9026 20566.8674 14421.1059 236.5764 -203482.5351 2782.0565 0.0000 0.0000 52252.5236 -109176.5027 300.2960 -161429.0264 -108809.1443 300.4632 -128.4517 -108.7525 760712.3869 -6.8217 -6.7805 PRESSURE: 4431200 -77.4431 49.923 -36.7675 49.9235 79.3684 -86.6243 -36.767 -86.6248 247.864 GPRESSURE: 4431200 -56.3163 150.804 -75.5235 64.9435 91.549 -89.1455 20.1041 -5.44587 290.09 PRESSAVG: 4431200 -8.65254 16.5503 8.26613 16.5503 -14.0397 -27.7525 8.26615 -27.7525 -8.86211 GPRESSAVG: 4431200 -10.2264 17.2934 8.96223 17.0896 -11.8279 -27.7285 6.95507 -27.8923 -9.98752 TIMING: 4431200 CPU: 14319.4, 0.0031206/step Wall: 14319.4, 0.0031206/step, 0.493055 hours remaining, 236.031250 MB of memory in use. ENERGY: 4431200 4037.5348 20529.5233 14418.8223 252.0135 -203184.9609 2406.2433 0.0000 0.0000 52184.0648 -109356.7588 299.9025 -161540.8236 -108988.9853 300.1701 83.2630 108.4411 760243.6251 -10.5181 -10.6806 PRESSURE: 4431400 -61.8991 -84.9468 14.8956 -84.9454 -59.8737 25.1158 14.895 25.1166 92.3944 GPRESSURE: 4431400 15.7828 -66.2595 -39.0125 -156.264 -33.8995 38.6566 20.89 120.544 77.4735 PRESSAVG: 4431400 23.7822 -35.5538 5.18092 -35.5537 -6.40586 -6.7847 5.18099 -6.78474 21.6691 GPRESSAVG: 4431400 22.6206 -34.8091 3.10781 -36.639 -5.95705 -6.42873 5.10911 -7.52627 22.3752 TIMING: 4431400 CPU: 14320, 0.0031454/step Wall: 14320, 0.0031454/step, 0.496798 hours remaining, 236.031250 MB of memory in use. ENERGY: 4431400 3970.2074 20507.8783 14432.4261 250.9549 -203337.6917 2403.4853 0.0000 0.0000 52317.5990 -109455.1406 300.6700 -161772.7396 -109076.3963 299.6037 -9.7928 19.7856 759730.8189 13.0152 13.0129 PRESSURE: 4431600 59.1056 -60.0949 105.493 -60.0949 142.23 -58.7143 105.494 -58.7152 -13.4915 GPRESSURE: 4431600 70.281 -195.965 -16.6669 -15.3 140.313 -40.6851 67.511 19.8625 57.5089 PRESSAVG: 4431600 36.7046 -10.3959 -4.87793 -10.3959 -23.816 -2.7325 -4.8779 -2.73252 -2.08823 GPRESSAVG: 4431600 38.3755 -12.4668 -4.33926 -8.73575 -26.4072 -2.51082 -5.10408 -3.16925 -1.48487 TIMING: 4431600 CPU: 14320.7, 0.00313517/step Wall: 14320.7, 0.00313517/step, 0.495009 hours remaining, 236.031250 MB of memory in use. ENERGY: 4431600 3993.8304 20458.8410 14447.0812 253.1581 -203420.6346 2776.8733 0.0000 0.0000 52041.8827 -109448.9679 299.0854 -161490.8506 -109085.8912 299.2343 62.6146 89.3676 759780.2457 3.6001 3.4945 PRESSURE: 4431800 -470.596 114.102 -62.8201 114.101 -138.924 213.503 -62.8205 213.503 -386.656 GPRESSURE: 4431800 -331.235 129.247 -139.548 106.814 -201.18 142.819 -64.0738 154.178 -372.913 PRESSAVG: 4431800 24.2612 -1.7045 30.6036 -1.70452 14.8738 -4.95736 30.6036 -4.95738 -21.9967 GPRESSAVG: 4431800 24.8159 0.235123 29.7988 -2.41589 16.2127 -4.41549 32.1317 -5.26016 -23.8589 TIMING: 4431800 CPU: 14321.3, 0.00316018/step Wall: 14321.3, 0.00316018/step, 0.498781 hours remaining, 236.031250 MB of memory in use. ENERGY: 4431800 3987.1933 20446.7184 14484.5947 248.6691 -203334.6658 2495.2012 0.0000 0.0000 52386.4557 -109285.8333 301.0657 -161672.2891 -108910.8502 299.5266 -332.0586 -301.7760 762668.0702 5.7128 5.7232 PRESSURE: 4432000 102.114 43.3626 -86.2093 43.3622 172.716 103.379 -86.2085 103.379 53.5621 GPRESSURE: 4432000 148.182 -75.1919 -58.2477 -42.0662 206.532 -11.6825 -66.1268 97.2182 54.8356 PRESSAVG: 4432000 -22.7271 3.0012 9.76426 3.00119 30.6774 -23.1698 9.76425 -23.1699 20.7128 GPRESSAVG: 4432000 -23.0323 1.18545 9.50209 4.14784 30.2473 -23.3742 10.5224 -23.0027 21.7916 TIMING: 4432000 CPU: 14321.9, 0.00313286/step Wall: 14321.9, 0.00313286/step, 0.494295 hours remaining, 236.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4432000 3907.4032 20551.5811 14538.9078 244.5612 -203230.0349 2655.9313 0.0000 0.0000 52062.7233 -109268.9269 299.2052 -161331.6503 -108903.6668 299.5386 109.4642 136.5166 762017.7674 9.5544 9.6689 PRESSURE: 4432200 -219.992 6.85166 87.7141 6.85085 -95.0457 -14.8493 87.714 -14.8495 -255.693 GPRESSURE: 4432200 -269.463 9.64197 48.0013 0.386045 -52.6596 -56.819 64.8482 -15.8233 -177.381 PRESSAVG: 4432200 -8.1724 2.89889 34.6985 2.89887 -45.6757 -15.1676 34.6986 -15.1677 4.93446 GPRESSAVG: 4432200 -8.50738 1.66543 36.2271 3.7011 -44.334 -16.1526 31.151 -13.0777 3.90551 TIMING: 4432200 CPU: 14322.6, 0.0031308/step Wall: 14322.6, 0.0031308/step, 0.493797 hours remaining, 236.031250 MB of memory in use. ENERGY: 4432200 3968.4450 20467.1255 14370.6721 253.8268 -203149.0777 2331.8958 0.0000 0.0000 52418.7699 -109338.3427 301.2514 -161757.1125 -108970.0471 299.5235 -190.2434 -166.5012 761634.5112 -16.3046 -16.3120 LDB: ============= START OF LOAD BALANCING ============== 14335 LDB: ============== END OF LOAD BALANCING =============== 14335 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14335 LDB: ============= START OF LOAD BALANCING ============== 14335.3 LDB: Largest compute 7031 load 0.033482 is 17.1% of average load 0.195605 LDB: Average compute 0.004397 is 2.2% of average load 0.195605 LDB: TIME 14335.3 LOAD: AVG 0.195605 MAX 0.213793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 14335.3 LOAD: AVG 0.195605 MAX 0.213793 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 14335.3 LOAD: AVG 0.195605 MAX 0.213793 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 14335.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14335.3 PRESSURE: 4432400 76.3595 -133.371 -113.615 -133.371 53.4224 99.8872 -113.615 99.886 119.261 GPRESSURE: 4432400 149.163 -64.1738 -71.9353 -62.3527 97.7138 -51.5547 -70.1869 40.2567 84.4755 PRESSAVG: 4432400 85.8348 -8.84441 -9.96823 -8.84433 -25.2978 -28.9677 -9.96816 -28.9677 -2.84198 GPRESSAVG: 4432400 86.6164 -6.97366 -10.3067 -8.41164 -26.7997 -27.2515 -8.56687 -33.0682 -1.59038 TIMING: 4432400 CPU: 14323.2, 0.00320942/step Wall: 14323.2, 0.00320941/step, 0.506018 hours remaining, 235.968750 MB of memory in use. ENERGY: 4432400 4056.6868 20336.1032 14470.0828 244.1712 -203461.0644 2998.9824 0.0000 0.0000 52230.6134 -109124.4248 300.1701 -161355.0382 -108776.1401 299.5567 83.0144 110.4507 759772.6772 19.2317 19.4088 PRESSURE: 4432600 -224.318 81.4265 8.88215 81.427 -58.7403 -246.016 8.88319 -246.017 -18.2291 GPRESSURE: 4432600 -148.093 -105.303 115.909 31.4223 -41.8208 -219.968 -65.1589 -183.303 -15.5342 PRESSAVG: 4432600 47.2412 19.89 -15.3548 19.89 -45.7465 -19.9593 -15.3549 -19.9593 2.32213 GPRESSAVG: 4432600 46.9199 20.5354 -14.9102 15.9581 -44.7467 -19.694 -13.5703 -17.9958 2.03397 TIMING: 4432600 CPU: 14323.8, 0.00314975/step Wall: 14323.8, 0.00314975/step, 0.496436 hours remaining, 236.039062 MB of memory in use. ENERGY: 4432600 4046.4562 20375.4839 14442.6908 233.7941 -202953.4002 2507.6272 0.0000 0.0000 52351.1543 -108996.1937 300.8628 -161347.3480 -108623.3853 300.1795 -100.4291 -68.4828 762712.6553 1.2723 1.4024 PRESSURE: 4432800 289.769 86.3965 -393.866 86.3965 -505.619 -79.7496 -393.866 -79.7494 -435.772 GPRESSURE: 4432800 303.63 51.2089 -425.72 -15.235 -442.371 -133.593 -311.13 -36.5249 -425.859 PRESSAVG: 4432800 70.4577 -2.02573 -11.3016 -2.02571 -77.2738 4.628 -11.3016 4.62801 2.55477 GPRESSAVG: 4432800 70.6508 -4.32813 -12.151 -0.00554746 -76.8343 3.57334 -14.4106 6.06048 2.29211 TIMING: 4432800 CPU: 14324.4, 0.00312436/step Wall: 14324.4, 0.00312436/step, 0.49226 hours remaining, 236.296875 MB of memory in use. ENERGY: 4432800 4014.5120 20311.0799 14438.9829 266.5283 -202767.3967 2276.0663 0.0000 0.0000 52469.4393 -108990.7880 301.5426 -161460.2273 -108628.8966 300.2412 -217.2074 -188.1998 760658.1373 -1.4204 -1.2971 PRESSURE: 4433000 526.098 184.207 115.833 184.207 225.305 134.872 115.833 134.872 196.503 GPRESSURE: 4433000 555.61 75.3704 110.99 146.619 257.762 157.413 141.696 -42.1662 239.524 PRESSAVG: 4433000 101.874 -9.01885 -39.3303 -9.01885 -69.5339 -7.79446 -39.3303 -7.79453 42.3071 GPRESSAVG: 4433000 103.03 -5.40287 -38.6456 -7.54463 -70.5286 -7.06064 -36.9411 -8.82407 42.3164 TIMING: 4433000 CPU: 14325.1, 0.00312305/step Wall: 14325.1, 0.00312305/step, 0.491881 hours remaining, 236.296875 MB of memory in use. ENERGY: 4433000 3890.7393 20339.9406 14484.8776 244.6278 -203480.5565 2920.9251 0.0000 0.0000 52165.1507 -109434.2954 299.7938 -161599.4461 -109064.7471 299.3307 315.9686 350.9650 759847.4094 24.8823 24.9391 PRESSURE: 4433200 312.382 8.01561 204.732 8.01576 -248.049 -33.9027 204.733 -33.9017 -64.4577 GPRESSURE: 4433200 281.9 53.3725 132.271 23.5904 -218.147 3.30958 185.14 -2.74048 25.7403 PRESSAVG: 4433200 97.0932 -16.4164 22.6218 -16.4165 -53.1707 38.5539 22.6217 38.554 -5.26708 GPRESSAVG: 4433200 96.3786 -18.029 23.4981 -17.368 -52.5167 37.908 21.8432 38.6915 -5.18816 TIMING: 4433200 CPU: 14325.7, 0.00312969/step Wall: 14325.7, 0.00312969/step, 0.492753 hours remaining, 236.296875 MB of memory in use. ENERGY: 4433200 3904.7587 20389.7303 14499.9386 234.3607 -203297.3153 2610.3705 0.0000 0.0000 52094.7048 -109563.4517 299.3890 -161658.1565 -109196.9991 299.1385 -0.0416 29.8313 761506.2204 12.8851 12.8912 PRESSURE: 4433400 19.3085 -55.2912 -68.3337 -55.2915 30.9665 167.246 -68.3326 167.245 130.379 GPRESSURE: 4433400 -11.654 -48.171 -56.1788 -158.769 52.7374 -2.67006 -145.143 205.592 218.932 PRESSAVG: 4433400 6.31026 -49.6778 -24.1986 -49.6778 -20.4621 -1.30407 -24.1986 -1.304 7.36075 GPRESSAVG: 4433400 6.23458 -49.4358 -24.7553 -49.1425 -19.5697 -2.18112 -24.9068 0.913984 6.95233 TIMING: 4433400 CPU: 14326.3, 0.00312982/step Wall: 14326.3, 0.00312982/step, 0.492599 hours remaining, 236.558594 MB of memory in use. ENERGY: 4433400 4075.3789 20622.8047 14397.9226 227.1194 -203449.7330 2646.7796 0.0000 0.0000 52155.1987 -109324.5291 299.7366 -161479.7278 -108969.9468 298.8877 60.2181 86.6719 761503.1367 -2.2637 -2.1276 PRESSURE: 4433600 -86.6164 73.6582 -69.4252 73.6585 1.68463 142.22 -69.4246 142.22 -158.869 GPRESSURE: 4433600 -12.2001 91.6597 -34.4108 102.554 1.05924 204.859 -87.9436 73.3329 -164.062 PRESSAVG: 4433600 17.7473 15.7964 -63.1007 15.7964 -41.1406 -44.8117 -63.1007 -44.8117 -4.97114 GPRESSAVG: 4433600 17.9859 15.6913 -62.6345 16.5075 -41.8533 -42.1368 -64.6428 -48.1046 -4.6989 TIMING: 4433600 CPU: 14326.9, 0.00311813/step Wall: 14326.9, 0.00311813/step, 0.490586 hours remaining, 236.566406 MB of memory in use. ENERGY: 4433600 3990.8258 20566.7430 14444.5478 266.5258 -203307.3090 2626.2968 0.0000 0.0000 52106.8714 -109305.4984 299.4589 -161412.3698 -108948.0021 299.4857 -81.2669 -58.4008 761663.9283 -9.4548 -9.5221 PRESSURE: 4433800 91.9709 -71.2347 -56.4432 -71.2344 98.4416 -14.405 -56.4434 -14.4066 106.483 GPRESSURE: 4433800 140.141 -39.0424 69.5723 12.2561 132.945 -56.5216 -111.293 49.5567 91.3255 PRESSAVG: 4433800 -16.7813 -19.1747 -27.7525 -19.1748 -4.58845 -44.4832 -27.7526 -44.4831 18.5886 GPRESSAVG: 4433800 -15.5999 -18.1053 -28.2013 -18.8116 -5.81208 -47.4522 -25.4881 -42.4144 18.8103 TIMING: 4433800 CPU: 14327.6, 0.0031151/step Wall: 14327.6, 0.0031151/step, 0.489936 hours remaining, 236.566406 MB of memory in use. ENERGY: 4433800 3959.0091 20585.0458 14534.1362 243.1935 -203441.6564 2695.2577 0.0000 0.0000 51952.2811 -109472.7330 298.5705 -161425.0141 -109121.9197 299.2329 98.9652 121.4703 762029.7432 -0.9270 -0.8672 PRESSURE: 4434000 -9.99069 -126.785 18.5563 -126.785 -397.1 -43.8688 18.5565 -43.8693 -78.1895 GPRESSURE: 4434000 2.40678 -187.005 19.1019 -141.579 -387.24 2.5983 14.4955 31.9319 -3.57925 PRESSAVG: 4434000 49.4138 -19.5005 -33.5396 -19.5004 -62.4848 -28.0163 -33.5396 -28.0164 -8.67021 GPRESSAVG: 4434000 48.382 -18.3441 -33.123 -21.3594 -61.1059 -25.5188 -33.4372 -26.3989 -9.35685 TIMING: 4434000 CPU: 14328.2, 0.0031276/step Wall: 14328.2, 0.0031276/step, 0.491729 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4434000 4013.4209 20387.2837 14399.7642 267.7150 -203593.4028 2853.3505 0.0000 0.0000 52217.5338 -109454.3346 300.0949 -161671.8685 -109082.0443 299.1089 -161.7601 -129.4709 762370.6432 -7.2471 -7.3602 PRESSURE: 4434200 129.948 -38.2999 133.3 -38.2992 8.30151 118.918 133.301 118.918 55.2996 GPRESSURE: 4434200 180.795 -103.231 191.299 -70.9875 13.6038 20.0596 -12.6159 -14.5339 91.2721 PRESSAVG: 4434200 34.816 -61.9692 -24.8809 -61.9692 -45.1848 22.453 -24.8809 22.4531 1.53161 GPRESSAVG: 4434200 35.1136 -64.0295 -25.6934 -61.6879 -45.4487 21.0953 -26.4401 20.8961 1.38395 TIMING: 4434200 CPU: 14328.8, 0.00312104/step Wall: 14328.8, 0.00312104/step, 0.490523 hours remaining, 236.566406 MB of memory in use. ENERGY: 4434200 3951.1291 20390.2152 14518.7123 251.8712 -203024.3985 2442.4866 0.0000 0.0000 51716.8417 -109753.1425 297.2174 -161469.9842 -109400.5421 298.6094 64.5163 95.2238 762955.9370 -2.9457 -2.9837 PRESSURE: 4434400 302.935 -53.9031 115.059 -53.9035 226.064 39.8518 115.059 39.8522 89.9046 GPRESSURE: 4434400 368.358 -15.649 8.66748 -1.13184 220.434 104.594 177.845 15.3385 117.249 PRESSAVG: 4434400 43.5575 7.05654 -18.2753 7.05655 -10.6979 -12.6982 -18.2753 -12.6982 15.5276 GPRESSAVG: 4434400 42.3475 8.02226 -18.4812 7.98295 -10.2478 -10.5522 -18.0082 -12.2969 15.9226 TIMING: 4434400 CPU: 14329.4, 0.00312432/step Wall: 14329.4, 0.00312432/step, 0.490865 hours remaining, 236.566406 MB of memory in use. ENERGY: 4434400 3924.8012 20482.7798 14472.3744 226.8772 -203596.0140 2799.1033 0.0000 0.0000 51871.0381 -109819.0400 298.1036 -161690.0781 -109468.8930 298.2106 206.3010 235.3470 761639.4286 16.1291 16.0074 PRESSURE: 4434600 257.272 -11.6425 70.4327 -11.6425 -229.143 107.733 70.4335 107.733 273.132 GPRESSURE: 4434600 182.545 8.52758 103.527 6.74016 -152.717 87.6698 6.06406 -102.45 351.475 PRESSAVG: 4434600 23.6754 -18.2589 -51.8772 -18.2589 -54.3947 -17.1179 -51.8772 -17.1178 0.861713 GPRESSAVG: 4434600 24.2231 -19.1399 -50.921 -18.1726 -54.7533 -18.5529 -50.1191 -16.8597 1.04927 TIMING: 4434600 CPU: 14330.1, 0.00312798/step Wall: 14330.1, 0.00312798/step, 0.491267 hours remaining, 236.636719 MB of memory in use. ENERGY: 4434600 3959.3016 20480.3892 14444.4637 251.2359 -203852.5184 3190.5693 0.0000 0.0000 51826.3266 -109700.2321 297.8466 -161526.5587 -109345.0550 298.1903 100.4206 127.1012 762425.2442 -9.9525 -9.8270 PRESSURE: 4434800 -192.17 -112.247 -124.774 -112.246 268.773 7.18956 -124.774 7.18752 266.739 GPRESSURE: 4434800 -60.5046 -127.427 -69.2129 -94.2741 262.455 -27.904 -13.4659 -60.3948 222.288 PRESSAVG: 4434800 18.5839 28.259 5.21648 28.2591 -40.4552 -71.7865 5.21648 -71.7865 5.89798 GPRESSAVG: 4434800 18.8708 29.8336 5.09678 27.4733 -41.8989 -72.9024 5.76125 -70.788 7.01222 TIMING: 4434800 CPU: 14330.7, 0.00314014/step Wall: 14330.7, 0.00314014/step, 0.493003 hours remaining, 236.636719 MB of memory in use. ENERGY: 4434800 4014.7148 20468.8462 14396.6363 246.1570 -203461.4766 2790.7217 0.0000 0.0000 52081.9382 -109462.4625 299.3156 -161544.4006 -109114.0897 298.5275 114.4475 141.4127 763360.0487 -5.3244 -5.3386 PRESSURE: 4435000 267.331 19.4707 -12.1049 19.4706 20.1414 41.3435 -12.1044 41.3447 -26.6665 GPRESSURE: 4435000 380.319 2.04127 -11.3972 59.445 13.3788 74.096 -117.045 -3.78385 -63.9997 PRESSAVG: 4435000 -7.01594 58.0719 9.69184 58.072 26.2846 -51.3377 9.69175 -51.3378 12.2505 GPRESSAVG: 4435000 -8.05699 55.9609 8.62956 58.6566 27.7937 -49.9973 8.52605 -53.5204 12.0336 TIMING: 4435000 CPU: 14331.3, 0.00311943/step Wall: 14331.3, 0.00311943/step, 0.489578 hours remaining, 236.636719 MB of memory in use. ENERGY: 4435000 3972.4720 20433.1398 14500.5346 238.7768 -203962.8223 3120.9058 0.0000 0.0000 52010.7197 -109686.2736 298.9063 -161696.9933 -109323.5680 298.9967 86.9352 109.8993 762506.8120 10.5064 10.5901 PRESSURE: 4435200 -242.279 -21.7896 143.868 -21.7891 -266.846 -151.424 143.869 -151.423 197.765 GPRESSURE: 4435200 -261.621 32.1355 92.1978 21.4334 -191.632 -158.152 88.4511 -142.568 245.036 PRESSAVG: 4435200 -29.1487 7.43191 -27.6223 7.43193 20.5336 2.58084 -27.6223 2.58081 6.78572 GPRESSAVG: 4435200 -28.0716 7.57439 -27.7604 6.93232 20.2574 1.96668 -29.9535 3.17036 6.35952 TIMING: 4435200 CPU: 14331.9, 0.00312234/step Wall: 14331.9, 0.00312234/step, 0.489861 hours remaining, 236.636719 MB of memory in use. ENERGY: 4435200 3985.6169 20430.3127 14497.3136 244.3504 -203541.4304 2686.5927 0.0000 0.0000 51947.2612 -109749.9830 298.5416 -161697.2442 -109393.3724 298.1554 -103.7870 -69.4057 761988.0034 -0.6098 -0.4849 PRESSURE: 4435400 125.947 76.0215 -67.6305 76.0217 27.8199 57.827 -67.6308 57.8267 165.151 GPRESSURE: 4435400 79.3563 89.4046 -62.1179 98.8168 80.4702 64.8347 5.97012 114.569 237.683 PRESSAVG: 4435400 -9.81793 -15.9626 -47.4894 -15.9627 -0.350777 -42.7297 -47.4893 -42.7296 2.61058 GPRESSAVG: 4435400 -9.19861 -16.1876 -46.9644 -13.1934 -1.19993 -41.7806 -44.3788 -42.4629 3.09888 TIMING: 4435400 CPU: 14332.6, 0.00311585/step Wall: 14332.6, 0.00311585/step, 0.488669 hours remaining, 236.636719 MB of memory in use. ENERGY: 4435400 3935.8698 20336.5888 14395.7852 226.9013 -203427.7672 2617.6610 0.0000 0.0000 51947.1912 -109967.7698 298.5412 -161914.9610 -109607.4430 298.4477 106.3059 132.5031 763720.3326 -2.5194 -2.4332 PRESSURE: 4435600 -280.964 9.28496 225.82 9.28599 -202.311 -46.0933 225.819 -46.0935 -233.055 GPRESSURE: 4435600 -326.403 32.4395 121.623 14.1154 -186.238 -58.4754 221.259 -65.4815 -137.922 PRESSAVG: 4435600 47.7567 13.1476 0.203013 13.1476 -53.5855 12.3122 0.203002 12.3122 -22.845 GPRESSAVG: 4435600 46.7918 13.9631 -1.1367 12.5841 -53.0156 11.239 0.0234616 13.9378 -22.5843 TIMING: 4435600 CPU: 14333.2, 0.0031286/step Wall: 14333.2, 0.0031286/step, 0.490495 hours remaining, 236.636719 MB of memory in use. ENERGY: 4435600 3949.2555 20416.8737 14469.2887 265.3818 -203406.7618 2369.3626 0.0000 0.0000 51777.9657 -110158.6337 297.5687 -161936.5995 -109799.0259 297.8214 -238.7764 -216.8543 763347.4547 -9.5579 -9.6027 PRESSURE: 4435800 -90.2288 23.4798 -22.2135 23.4793 68.6995 -78.8112 -22.213 -78.8109 132.442 GPRESSURE: 4435800 -20.6783 -22.0457 21.0472 110.859 151.492 -28.3881 -104.838 -128.661 81.6654 PRESSAVG: 4435800 19.7798 13.3027 8.75029 13.3027 -40.1738 22.4833 8.75037 22.4832 11.9047 GPRESSAVG: 4435800 19.9528 12.6016 11.2842 12.8471 -40.8728 23.0995 5.76185 21.3481 12.149 TIMING: 4435800 CPU: 14333.8, 0.00312324/step Wall: 14333.8, 0.00312324/step, 0.489482 hours remaining, 236.636719 MB of memory in use. ENERGY: 4435800 3983.8497 20319.6981 14497.8145 257.8878 -203793.7618 2791.9450 0.0000 0.0000 51737.9032 -110204.6634 297.3384 -161942.5666 -109845.7145 297.4499 36.9709 70.8264 761147.4724 -2.8298 -2.9237 PRESSURE: 4436000 104.023 230.675 -132.929 230.675 114.252 -146.648 -132.929 -146.647 325.225 GPRESSURE: 4436000 110.129 250.541 -227.967 265.103 140.027 -86.363 -56.9791 -176.459 363.829 PRESSAVG: 4436000 53.3419 20.9725 10.5717 20.9725 -75.55 2.73351 10.5716 2.73346 16.8784 GPRESSAVG: 4436000 53.6349 21.6811 10.7068 20.1716 -75.1646 2.69698 10.7365 2.59642 15.9652 TIMING: 4436000 CPU: 14334.4, 0.00312156/step Wall: 14334.4, 0.00312156/step, 0.489044 hours remaining, 236.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4436000 3979.8375 20395.3936 14433.9880 228.2200 -203943.7144 3036.8739 0.0000 0.0000 51877.5791 -109991.8224 298.1412 -161869.4014 -109635.7015 297.6386 181.1667 204.6618 760575.2286 -1.7765 -1.8548 PRESSURE: 4436200 -283.522 -170.43 -16.3846 -170.429 -240.458 -382.097 -16.3835 -382.097 -146.557 GPRESSURE: 4436200 -363.158 -31.9021 41.5549 -225.76 -147.347 -416.376 45.2149 -375.948 -112.039 PRESSAVG: 4436200 35.6617 63.2586 -12.8138 63.2586 -32.892 15.1243 -12.8138 15.1243 26.7 GPRESSAVG: 4436200 33.9048 63.0655 -12.7282 62.8725 -31.6924 14.4548 -11.2494 15.238 26.9656 TIMING: 4436200 CPU: 14335.1, 0.00311653/step Wall: 14335.1, 0.00311653/step, 0.488083 hours remaining, 236.636719 MB of memory in use. ENERGY: 4436200 3965.2738 20210.0838 14451.5934 235.6879 -203088.1887 2361.5595 0.0000 0.0000 51901.8788 -109962.1116 298.2808 -161863.9904 -109587.0782 297.8426 -223.5123 -207.5149 763232.8113 9.8232 9.7260 LDB: ============= START OF LOAD BALANCING ============== 14347.5 LDB: ============== END OF LOAD BALANCING =============== 14347.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14347.5 LDB: ============= START OF LOAD BALANCING ============== 14347.8 LDB: Largest compute 7064 load 0.032276 is 16.5% of average load 0.195517 LDB: Average compute 0.004402 is 2.3% of average load 0.195517 LDB: TIME 14347.8 LOAD: AVG 0.195517 MAX 0.213468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14347.8 LOAD: AVG 0.195517 MAX 0.213468 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 14347.8 LOAD: AVG 0.195517 MAX 0.213468 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 14347.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14347.8 PRESSURE: 4436400 55.9392 34.1895 35.2539 34.1884 -185.661 -168.589 35.2545 -168.589 -210.716 GPRESSURE: 4436400 -11.2543 22.7832 96.087 -10.4552 -88.0798 -136.81 51.3226 -48.2226 -162.334 PRESSAVG: 4436400 -24.6148 18.4174 -2.67357 18.4174 53.6177 -53.4074 -2.67356 -53.4075 -12.5975 GPRESSAVG: 4436400 -23.8441 19.2308 -4.30192 19.494 52.1405 -54.3584 -0.86326 -53.5574 -11.9081 TIMING: 4436400 CPU: 14335.7, 0.00319905/step Wall: 14335.7, 0.00319905/step, 0.500829 hours remaining, 235.136719 MB of memory in use. ENERGY: 4436400 3963.7624 20556.1981 14461.7220 234.5209 -203600.8514 2646.1786 0.0000 0.0000 51896.6391 -109841.8303 298.2507 -161738.4694 -109475.9478 298.3717 -113.4792 -87.2228 763008.6784 5.4685 5.4628 PRESSURE: 4436600 -17.6975 -65.3028 -30.3535 -65.3027 170.227 -135.211 -30.3543 -135.211 61.5618 GPRESSURE: 4436600 41.0213 -25.7831 -53.5545 16.4763 170.119 -162.172 -91.9227 -174.385 71.2858 PRESSAVG: 4436600 26.5947 -26.339 -43.1268 -26.339 -15.8039 17.8842 -43.1268 17.8842 -7.41245 GPRESSAVG: 4436600 26.0028 -27.3468 -41.6992 -26.102 -15.5718 20.2435 -45.4213 18.677 -7.3145 TIMING: 4436600 CPU: 14336.3, 0.00312476/step Wall: 14336.3, 0.00312476/step, 0.489024 hours remaining, 235.136719 MB of memory in use. ENERGY: 4436600 4014.6291 20468.7505 14408.6619 240.1612 -203489.4039 2713.1927 0.0000 0.0000 51795.9712 -109848.0374 297.6722 -161644.0085 -109483.5940 298.3162 71.3638 94.1422 760794.7437 1.1261 1.0388 PRESSURE: 4436800 -251.247 54.4288 78.5677 54.4296 -116.705 132.048 78.5668 132.048 174.613 GPRESSURE: 4436800 -180.588 151.33 85.4951 -72.4574 -75.071 89.369 137.966 60.7686 164.024 PRESSAVG: 4436800 72.3975 -12.6608 2.62636 -12.6608 -21.4655 11.0641 2.62635 11.064 15.7589 GPRESSAVG: 4436800 72.7796 -12.7729 0.393567 -13.0087 -20.7201 8.864 5.67576 9.23108 14.6216 TIMING: 4436800 CPU: 14337, 0.00314335/step Wall: 14337, 0.00314335/step, 0.49176 hours remaining, 235.136719 MB of memory in use. ENERGY: 4436800 4028.1454 20464.5247 14504.8831 242.7975 -203520.7483 2505.1605 0.0000 0.0000 51985.0329 -109790.2042 298.7587 -161775.2371 -109436.6583 298.7398 -64.4463 -30.5450 760201.1819 22.2303 22.2270 PRESSURE: 4437000 -24.5245 -5.83304 126.014 -5.83194 85.7864 69.3412 126.014 69.3407 -69.859 GPRESSURE: 4437000 50.0074 -26.8962 176.304 -13.0629 196.369 -1.35382 89.5536 96.0411 -157.944 PRESSAVG: 4437000 53.2288 8.54897 24.4251 8.54895 -70.3451 19.2346 24.4251 19.2346 -15.8456 GPRESSAVG: 4437000 53.704 9.80739 25.7484 5.33984 -70.9611 19.5598 21.7663 20.7845 -15.321 TIMING: 4437000 CPU: 14337.6, 0.00310886/step Wall: 14337.6, 0.00310886/step, 0.486191 hours remaining, 235.136719 MB of memory in use. ENERGY: 4437000 3930.6317 20596.4099 14507.1906 242.0063 -203820.0035 2787.4439 0.0000 0.0000 51841.7577 -109914.5633 297.9353 -161756.3210 -109537.5442 298.3591 -2.8657 29.4773 759875.9977 -10.9873 -10.8593 PRESSURE: 4437200 139.078 272.826 184.284 272.826 -247.488 95.7158 184.284 95.7165 268.896 GPRESSURE: 4437200 161.679 120.608 193.806 271.42 -201.81 -9.3571 133.685 193.344 270.964 PRESSAVG: 4437200 57.7396 -41.4649 66.7885 -41.4649 -32.2692 -15.5777 66.7885 -15.5776 -14.4174 GPRESSAVG: 4437200 57.7954 -42.4871 67.208 -37.9981 -31.8519 -15.6704 67.5184 -13.7602 -14.8336 TIMING: 4437200 CPU: 14338.2, 0.00313685/step Wall: 14338.2, 0.00313685/step, 0.490394 hours remaining, 235.136719 MB of memory in use. ENERGY: 4437200 3994.2779 20475.0688 14479.5660 238.1269 -203749.8706 2752.2527 0.0000 0.0000 51920.5881 -109889.9901 298.3883 -161810.5781 -109533.6886 298.3281 53.4954 76.9441 761143.1914 3.6844 3.7033 PRESSURE: 4437400 295.608 -111.866 -98.3776 -111.866 352.916 -63.1766 -98.3785 -63.1767 543.986 GPRESSURE: 4437400 403.218 -45.0749 -104.93 -71.0198 363.623 -67.0291 -60.3541 -5.59912 550.192 PRESSAVG: 4437400 13.2433 -21.4566 -2.01136 -21.4565 -71.6698 53.2736 -2.01134 53.2736 12.3465 GPRESSAVG: 4437400 12.2133 -20.2332 -2.74467 -22.3154 -71.8032 54.1461 -2.15006 52.659 13.8218 TIMING: 4437400 CPU: 14338.8, 0.00312637/step Wall: 14338.8, 0.00312637/step, 0.488582 hours remaining, 235.136719 MB of memory in use. ENERGY: 4437400 3944.6178 20536.7912 14486.8320 247.4362 -203708.0622 2720.1816 0.0000 0.0000 52001.3563 -109770.8471 298.8525 -161772.2034 -109408.3928 298.4808 397.5034 439.0111 759418.6615 -15.3600 -15.2560 PRESSURE: 4437600 705.033 -224.179 36.8361 -224.179 235.661 189.657 36.8356 189.657 -84.0973 GPRESSURE: 4437600 715.719 -171.232 11.53 -221.817 361.709 183.948 62.0109 117.084 -132.953 PRESSAVG: 4437600 31.2812 7.88714 -6.73478 7.88717 -62.1022 4.39793 -6.73481 4.39797 7.26556 GPRESSAVG: 4437600 32.0998 7.85023 -5.8776 9.06193 -61.2126 2.95178 -8.38899 1.93012 5.59312 TIMING: 4437600 CPU: 14339.5, 0.00314885/step Wall: 14339.5, 0.00314885/step, 0.49192 hours remaining, 235.136719 MB of memory in use. ENERGY: 4437600 4063.0383 20533.7337 14430.8814 237.8066 -203889.6895 3106.9757 0.0000 0.0000 51903.5012 -109613.7524 298.2901 -161517.2536 -109249.6520 298.5429 285.5323 314.8251 758755.2710 -7.8518 -7.8399 PRESSURE: 4437800 -54.6608 38.6525 -139.91 38.6528 -259.84 -81.5943 -139.909 -81.5944 19.9941 GPRESSURE: 4437800 -71.886 0.354848 -191.608 -21.3888 -212.579 -46.7893 41.6052 -91.6182 49.422 PRESSAVG: 4437800 34.3806 -18.9556 5.30748 -18.9556 -20.6048 -30.2081 5.30751 -30.2082 13.593 GPRESSAVG: 4437800 33.8521 -19.3148 5.5628 -20.7566 -22.3289 -28.7948 6.34411 -28.2583 14.9928 TIMING: 4437800 CPU: 14340.1, 0.00313226/step Wall: 14340.1, 0.00313226/step, 0.489155 hours remaining, 235.136719 MB of memory in use. ENERGY: 4437800 3995.6028 20504.7460 14456.7451 249.7071 -203249.6391 2368.3731 0.0000 0.0000 51900.1198 -109774.3452 298.2707 -161674.4650 -109420.2059 299.0416 -98.1689 -78.3476 761109.2804 9.1230 8.8386 PRESSURE: 4438000 -41.2105 221.742 -203.124 221.742 -26.7861 54.4281 -203.125 54.4273 -234.621 GPRESSURE: 4438000 7.76769 103.816 -170.575 142.327 -33.004 50.4257 -281.437 167.702 -207.119 PRESSAVG: 4438000 42.3792 -10.2272 8.87448 -10.2272 -34.4326 14.5802 8.87443 14.5801 -6.67546 GPRESSAVG: 4438000 43.2885 -11.3271 8.88692 -9.51894 -33.6907 13.4173 7.77691 15.3327 -8.2045 TIMING: 4438000 CPU: 14340.7, 0.00312368/step Wall: 14340.7, 0.00312368/step, 0.487642 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 4058.2404 20580.7931 14466.0887 263.4208 -203383.6992 2532.2644 0.0000 0.0000 51873.4265 -109609.4654 298.1173 -161482.8919 -109261.2084 298.8345 -100.8725 -77.4517 760529.3657 0.4237 0.4644 PRESSURE: 4438200 -61.649 -34.2105 44.6359 -34.2104 -211.623 -189.465 44.6365 -189.465 105.867 GPRESSURE: 4438200 -93.4267 -29.3728 112.454 -49.8458 -73.2901 -135.66 47.1657 -151.578 61.3116 PRESSAVG: 4438200 49.9048 -70.9341 -31.8554 -70.9341 -39.5604 17.5858 -31.8553 17.5859 -23.3942 GPRESSAVG: 4438200 49.0386 -69.5873 -31.6469 -70.8023 -39.4242 18.2174 -31.973 16.4181 -22.2855 TIMING: 4438200 CPU: 14341.3, 0.00311894/step Wall: 14341.3, 0.00311894/step, 0.486728 hours remaining, 235.136719 MB of memory in use. ENERGY: 4438200 4100.1511 20617.8584 14390.8680 256.9931 -203801.9215 2621.7900 0.0000 0.0000 52103.8388 -109710.4220 299.4415 -161814.2609 -109355.9887 298.6656 -55.8017 -35.1351 760177.1942 -4.3499 -4.2237 PRESSURE: 4438400 -378.345 45.7108 95.5947 45.7112 -532.612 -171.251 95.5949 -171.251 -126.988 GPRESSURE: 4438400 -394.317 25.9439 -30.2658 4.93648 -520.884 -159.634 41.3334 -145.59 -48.04 PRESSAVG: 4438400 62.0356 5.80968 17.1417 5.80975 -64.6867 -25.842 17.1418 -25.842 4.08958 GPRESSAVG: 4438400 63.0987 4.19502 16.2502 4.05547 -64.7545 -26.8042 17.323 -23.8266 3.11248 TIMING: 4438400 CPU: 14342, 0.00312815/step Wall: 14342, 0.00312815/step, 0.487991 hours remaining, 235.136719 MB of memory in use. ENERGY: 4438400 4087.7297 20632.0226 14546.1733 249.7712 -203562.0436 2480.1856 0.0000 0.0000 51989.1250 -109577.0362 298.7822 -161566.1612 -109217.2725 299.6213 -345.9820 -321.0803 760804.4308 0.4795 0.4855 PRESSURE: 4438600 247.139 20.0147 244.435 20.0149 -89.3637 64.0318 244.436 64.0311 168.567 GPRESSURE: 4438600 221.895 80.6944 356.412 13.1101 4.07732 33.8363 170.958 -47.4332 197.661 PRESSAVG: 4438600 36.7504 17.7777 23.7718 17.7777 -82.5348 -3.35613 23.7718 -3.35617 7.4376 GPRESSAVG: 4438600 36.2428 20.1883 23.0296 15.9989 -82.3257 -3.9459 22.8935 -3.81757 8.3847 TIMING: 4438600 CPU: 14342.6, 0.00313859/step Wall: 14342.6, 0.00313859/step, 0.489446 hours remaining, 235.136719 MB of memory in use. ENERGY: 4438600 3944.1990 20560.4028 14467.6824 236.8136 -203639.8226 2713.3322 0.0000 0.0000 52070.1043 -109647.2883 299.2476 -161717.3925 -109281.7316 298.8211 108.7806 141.2110 760876.2557 -12.7823 -12.5661 PRESSURE: 4438800 440.174 88.2829 -177.721 88.2831 -336.986 19.511 -177.722 19.5118 105.042 GPRESSURE: 4438800 462.619 84.13 -90.7524 105.98 -243.675 52.0205 29.7334 -7.02161 81.3308 PRESSAVG: 4438800 35.0298 22.3093 -13.5345 22.3093 -26.5882 6.07295 -13.5345 6.07298 -28.3412 GPRESSAVG: 4438800 36.4045 19.567 -13.1888 24.7955 -28.28 6.33211 -11.3134 5.40547 -27.8845 TIMING: 4438800 CPU: 14343.2, 0.00313875/step Wall: 14343.2, 0.00313875/step, 0.489296 hours remaining, 235.136719 MB of memory in use. ENERGY: 4438800 4038.9595 20365.7345 14512.1962 242.0322 -204062.3149 3027.6022 0.0000 0.0000 52187.6654 -109688.1249 299.9232 -161875.7903 -109320.1897 298.9034 69.4099 100.0914 760982.2763 -6.6332 -6.5867 PRESSURE: 4439000 356.388 -182.628 128.064 -182.629 82.6113 242.23 128.064 242.23 280.843 GPRESSURE: 4439000 358.528 -171.902 83.2761 50.8877 62.3712 307.639 114.759 293.603 392.069 PRESSAVG: 4439000 -42.2237 8.24772 -2.28496 8.24781 -34.753 -60.6676 -2.285 -60.6677 19.5821 GPRESSAVG: 4439000 -42.3713 8.74722 -1.76069 9.44507 -34.6978 -60.9169 -3.7219 -59.1418 19.3731 TIMING: 4439000 CPU: 14343.8, 0.00312908/step Wall: 14343.8, 0.00312908/step, 0.487615 hours remaining, 235.136719 MB of memory in use. ENERGY: 4439000 3902.4886 20700.4088 14434.8747 248.4937 -203760.2682 2988.3796 0.0000 0.0000 51924.8971 -109560.7257 298.4131 -161485.6228 -109206.7205 298.8747 239.9475 270.9896 761211.0519 -19.1315 -19.2320 PRESSURE: 4439200 -373.978 -211.763 -42.4302 -211.762 108.795 106.818 -42.4307 106.819 90.4507 GPRESSURE: 4439200 -189.929 -218.71 -13.9146 -122.557 3.65229 103.688 39.6261 46.9368 98.7751 PRESSAVG: 4439200 26.2322 -45.0429 3.4935 -45.0429 4.25778 -33.1886 3.49346 -33.1886 -2.693 GPRESSAVG: 4439200 27.2168 -44.4697 2.28118 -47.5248 5.07023 -32.9345 4.20592 -36.0953 -4.0301 TIMING: 4439200 CPU: 14344.5, 0.00313198/step Wall: 14344.5, 0.00313198/step, 0.487893 hours remaining, 235.136719 MB of memory in use. ENERGY: 4439200 3929.0912 20538.0224 14414.7247 267.6410 -203520.8752 2618.6925 0.0000 0.0000 52019.6069 -109733.0965 298.9574 -161752.7034 -109364.6486 298.6926 -58.2440 -29.1672 761404.6112 9.2657 9.4190 PRESSURE: 4439400 -92.2826 347.24 -188.303 347.24 70.9216 -102.657 -188.302 -102.657 226.873 GPRESSURE: 4439400 -69.2413 279.194 -187.522 287.192 94.8763 -210.193 -58.4184 44.5674 265.004 PRESSAVG: 4439400 40.2569 16.9795 -13.8095 16.9795 -28.754 -11.153 -13.8095 -11.153 4.38917 GPRESSAVG: 4439400 38.1494 15.1731 -11.7589 16.9823 -26.7742 -10.5831 -14.3115 -10.0885 4.91726 TIMING: 4439400 CPU: 14345.1, 0.00311716/step Wall: 14345.1, 0.00311716/step, 0.48541 hours remaining, 235.136719 MB of memory in use. ENERGY: 4439400 3952.7179 20437.1908 14412.2147 257.3417 -203292.8853 2476.9598 0.0000 0.0000 52135.8998 -109620.5605 299.6257 -161756.4603 -109258.7618 298.9385 68.5040 96.8796 762043.1144 5.2974 5.4308 PRESSURE: 4439600 -112.344 181.671 -165.202 181.671 -108.63 -35.3816 -165.202 -35.3815 13.1411 GPRESSURE: 4439600 -111.203 78.0936 -232.943 128.224 -13.0638 -104.008 -194.654 103.232 3.61938 PRESSAVG: 4439600 20.9648 43.6803 -16.4007 43.6803 -27.8421 -7.0934 -16.4007 -7.09348 2.49234 GPRESSAVG: 4439600 19.9953 44.7308 -16.1948 43.3796 -27.3566 -7.79472 -17.5921 -6.14543 3.14225 TIMING: 4439600 CPU: 14345.7, 0.00315695/step Wall: 14345.7, 0.00315695/step, 0.491431 hours remaining, 235.136719 MB of memory in use. ENERGY: 4439600 3980.8600 20662.9447 14440.0927 233.8884 -203618.5695 2722.6574 0.0000 0.0000 52155.6932 -109422.4331 299.7395 -161578.1263 -109067.1550 299.5935 -69.2777 -40.2158 760589.6973 -1.4616 -1.4063 PRESSURE: 4439800 -274.388 -143.63 -148.127 -143.629 -102.578 125.528 -148.126 125.529 -243.28 GPRESSURE: 4439800 -200.437 -0.373656 -183.207 -61.919 -53.1048 160.149 -155.194 139.629 -276.526 PRESSAVG: 4439800 23.6293 -52.4362 16.843 -52.4362 -41.0521 46.3869 16.843 46.387 -0.963191 GPRESSAVG: 4439800 24.9878 -51.2213 15.2083 -52.646 -42.5329 44.4506 17.2014 46.1469 -0.624151 TIMING: 4439800 CPU: 14346.4, 0.00313703/step Wall: 14346.4, 0.00313703/step, 0.488156 hours remaining, 235.136719 MB of memory in use. ENERGY: 4439800 4037.5301 20467.0340 14515.0755 252.0263 -203001.8592 2332.2462 0.0000 0.0000 52129.7394 -109268.2078 299.5903 -161397.9471 -108912.5001 299.5541 -206.7486 -176.6891 761509.5974 -6.1287 -6.0564 PRESSURE: 4440000 311.722 -216.114 -83.0024 -216.114 -76.518 84.2123 -83.0022 84.2124 -102.514 GPRESSURE: 4440000 368.653 -139.789 -81.2947 -163.534 -111.508 121.736 -161.6 59.1007 -38.361 PRESSAVG: 4440000 27.1637 -33.2235 -3.19085 -33.2234 -65.7483 -7.83319 -3.19092 -7.83323 10.5848 GPRESSAVG: 4440000 27.1346 -32.2854 -3.96447 -34.7654 -66.8743 -4.39308 -3.65061 -9.56206 11.3355 TIMING: 4440000 CPU: 14347, 0.00315498/step Wall: 14347, 0.00315498/step, 0.490774 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 4008.0888 20477.8056 14384.8907 245.9049 -203201.2997 2482.6744 0.0000 0.0000 52212.2406 -109389.6947 300.0645 -161601.9353 -109027.7231 299.2847 44.2299 72.9281 761978.4713 -9.3333 -9.4681 PRESSURE: 4440200 273.161 -9.89553 100.793 -9.89549 -19.2858 -89.994 100.793 -89.9953 -505.563 GPRESSURE: 4440200 181.379 -37.9834 49.4561 -12.8319 47.6903 -45.6194 107.028 -113.066 -412.666 PRESSAVG: 4440200 67.3536 -88.053 10.2927 -88.0531 -72.7545 -32.2601 10.2927 -32.2601 -0.984701 GPRESSAVG: 4440200 67.8903 -90.3965 10.6357 -85.0447 -71.9929 -34.1529 9.91667 -31.3396 -1.76123 TIMING: 4440200 CPU: 14347.6, 0.00312851/step Wall: 14347.6, 0.00312851/step, 0.486484 hours remaining, 235.136719 MB of memory in use. ENERGY: 4440200 4074.5728 20470.9683 14382.0053 239.7715 -203610.3958 2749.2625 0.0000 0.0000 52103.2358 -109590.5796 299.4380 -161693.8154 -109234.4507 298.9617 -83.8958 -61.1989 761156.4602 -2.1285 -1.9546 LDB: ============= START OF LOAD BALANCING ============== 14360 LDB: ============== END OF LOAD BALANCING =============== 14360 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14360 LDB: ============= START OF LOAD BALANCING ============== 14360.4 LDB: Largest compute 7064 load 0.034290 is 17.5% of average load 0.195506 LDB: Average compute 0.004403 is 2.3% of average load 0.195506 LDB: TIME 14360.4 LOAD: AVG 0.195506 MAX 0.215358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 14360.4 LOAD: AVG 0.195506 MAX 0.215358 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 14360.4 LOAD: AVG 0.195506 MAX 0.215358 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 14360.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14360.4 PRESSURE: 4440400 -30.5669 -27.6406 -59.5467 -27.6403 -550.617 62.7252 -59.5461 62.7234 73.2212 GPRESSURE: 4440400 -63.227 -252.808 -89.7933 -10.754 -410.107 -59.8174 43.3128 9.40935 45.7999 PRESSAVG: 4440400 34.7033 3.43842 35.2583 3.43851 -1.84208 -18.2943 35.2583 -18.2943 26.7223 GPRESSAVG: 4440400 33.3101 5.15969 35.4333 2.03649 0.250029 -18.2805 37.9791 -18.289 26.0563 TIMING: 4440400 CPU: 14348.3, 0.00321459/step Wall: 14348.3, 0.00321459/step, 0.49969 hours remaining, 235.394531 MB of memory in use. ENERGY: 4440400 3979.1726 20498.2247 14428.5135 253.0265 -203144.0436 2407.8216 0.0000 0.0000 52147.6650 -109429.6196 299.6933 -161577.2846 -109049.5311 298.9254 -169.3209 -142.5113 761865.4408 19.8612 19.8721 PRESSURE: 4440600 287.917 -55.5868 -32.7239 -55.5863 82.2103 -99.9107 -32.7241 -99.911 515.547 GPRESSURE: 4440600 312.727 -62.3518 18.6073 -134.847 44.1979 -110.943 7.62342 -172.449 603.045 PRESSAVG: 4440600 25.763 -36.7723 19.1525 -36.7723 8.60269 -14.75 19.1524 -14.75 -6.45596 GPRESSAVG: 4440600 26.914 -38.4789 19.2493 -37.0775 6.8082 -15.8726 17.5854 -15.0863 -5.36292 TIMING: 4440600 CPU: 14348.9, 0.00314742/step Wall: 14348.9, 0.00314742/step, 0.489074 hours remaining, 235.394531 MB of memory in use. ENERGY: 4440600 3984.3116 20642.8616 14398.6946 251.0386 -203398.6025 2576.0883 0.0000 0.0000 51971.1570 -109574.4508 298.6790 -161545.6078 -109207.2519 298.9562 295.2248 319.9898 760875.0323 9.3032 9.4531 PRESSURE: 4440800 -37.8325 -223.061 -15.3601 -223.061 -65.0385 129.126 -15.3593 129.127 -154.122 GPRESSURE: 4440800 2.11197 -114.736 -124.705 -164.017 -91.1045 101.921 28.4578 35.1264 -102.131 PRESSAVG: 4440800 9.08276 -39.2505 10.6324 -39.2505 29.1882 -7.60166 10.6324 -7.60155 13.5692 GPRESSAVG: 4440800 9.25219 -38.4919 9.79454 -38.4225 29.3427 -5.88086 9.44752 -9.06755 13.0528 TIMING: 4440800 CPU: 14349.5, 0.0031559/step Wall: 14349.5, 0.0031559/step, 0.490216 hours remaining, 235.394531 MB of memory in use. ENERGY: 4440800 4037.7125 20553.5773 14508.1737 273.9520 -203147.7728 2138.4312 0.0000 0.0000 52007.8897 -109628.0364 298.8901 -161635.9260 -109264.9868 299.3548 -85.6644 -63.7080 759222.7030 17.2801 17.2159 PRESSURE: 4441000 374.862 84.0652 15.0613 84.0654 215.634 18.5532 15.0612 18.5531 20.9864 GPRESSURE: 4441000 364.436 103.873 4.70816 81.7548 274.19 -54.1799 94.3757 52.6326 49.6247 PRESSAVG: 4441000 24.1314 -8.09162 -20.033 -8.09162 -43.4975 -2.01302 -20.0331 -2.0131 4.82307 GPRESSAVG: 4441000 24.3445 -6.46707 -20.0979 -8.98222 -43.6123 -1.55811 -17.9782 -0.969967 5.32346 TIMING: 4441000 CPU: 14350.2, 0.00315938/step Wall: 14350.2, 0.00315938/step, 0.490581 hours remaining, 235.593750 MB of memory in use. ENERGY: 4441000 3960.5234 20609.8529 14430.5616 254.3436 -203821.6133 2985.4891 0.0000 0.0000 52098.9467 -109481.8960 299.4134 -161580.8427 -109118.4859 299.4567 203.8273 229.4168 761860.8460 -4.8477 -4.6481 PRESSURE: 4441200 188.511 15.1327 7.82159 15.1318 -43.6382 135.108 7.82251 135.108 9.87903 GPRESSURE: 4441200 188.173 -56.8552 34.0524 -91.8549 -55.8656 142.121 94.9414 134.044 94.5983 PRESSAVG: 4441200 80.142 18.2218 68.274 18.2218 -67.6636 -50.2174 68.274 -50.2174 -36.1611 GPRESSAVG: 4441200 80.1346 14.0347 71.3793 18.7877 -67.4503 -51.5001 65.0551 -47.8921 -36.54 TIMING: 4441200 CPU: 14350.8, 0.0031366/step Wall: 14350.8, 0.0031366/step, 0.48687 hours remaining, 235.593750 MB of memory in use. ENERGY: 4441200 3917.7506 20610.0840 14384.7332 233.8140 -203553.0033 2760.6831 0.0000 0.0000 51973.9755 -109671.9628 298.6952 -161645.9383 -109312.6666 299.0956 51.5838 75.6351 760814.9626 -7.8942 -7.9519 PRESSURE: 4441400 -135.88 267.198 298.176 267.198 -210.939 -25.7819 298.176 -25.7818 61.2808 GPRESSURE: 4441400 -102.856 160.21 243.141 304.757 -173.675 10.6641 151.622 -59.6554 99.5146 PRESSAVG: 4441400 85.9381 29.5045 69.9914 29.5044 -61.2467 61.3081 69.9914 61.308 -2.01722 GPRESSAVG: 4441400 85.8186 31.2978 67.3303 29.061 -60.4054 63.2325 71.4157 59.9399 -1.93362 TIMING: 4441400 CPU: 14351.4, 0.00313147/step Wall: 14351.4, 0.00313147/step, 0.4859 hours remaining, 235.593750 MB of memory in use. ENERGY: 4441400 4034.2229 20532.1288 14462.6642 242.0204 -203567.8938 2530.9290 0.0000 0.0000 52191.2566 -109574.6718 299.9439 -161765.9284 -109219.7797 299.0554 -95.1795 -59.0052 759872.4044 7.5581 7.8265 PRESSURE: 4441600 -102.222 -114.413 -167.441 -114.412 -47.5944 197.264 -167.442 197.264 233.652 GPRESSURE: 4441600 15.7261 16.7657 -112.89 1.01259 37.3744 228.405 -157.067 166.319 115.204 PRESSAVG: 4441600 -0.409592 54.0159 6.70791 54.016 47.2972 68.3477 6.70797 68.3477 9.4628 GPRESSAVG: 4441600 0.17559 56.3295 8.13537 56.0971 46.9505 66.6889 5.25015 68.1252 8.87694 TIMING: 4441600 CPU: 14352, 0.00313351/step Wall: 14352, 0.00313351/step, 0.486042 hours remaining, 235.796875 MB of memory in use. ENERGY: 4441600 3989.7604 20280.2198 14481.7706 246.7329 -203505.3646 2706.1103 0.0000 0.0000 52133.7265 -109667.0442 299.6132 -161800.7707 -109308.0020 299.2962 27.9452 56.1016 759728.9384 18.7835 18.6677 PRESSURE: 4441800 -31.1924 107.848 110.018 107.848 -16.6281 -9.63227 110.017 -9.63177 -31.7095 GPRESSURE: 4441800 -8.84677 47.5958 207.575 133.013 49.137 -16.7066 222.338 -130.731 -19.0185 PRESSAVG: 4441800 -24.5043 16.6179 38.0652 16.618 50.902 24.9191 38.0651 24.9191 7.41758 GPRESSAVG: 4441800 -25.8637 15.1048 38.0805 14.0759 51.8334 24.9359 38.4755 24.4944 7.39733 TIMING: 4441800 CPU: 14352.7, 0.00314354/step Wall: 14352.7, 0.00314354/step, 0.487423 hours remaining, 235.796875 MB of memory in use. ENERGY: 4441800 3951.5936 20577.2418 14376.6819 223.2682 -203376.5903 2561.3632 0.0000 0.0000 52173.2600 -109513.1817 299.8404 -161686.4416 -109157.0938 299.3578 -26.5100 7.0906 761374.8793 11.2718 11.1223 PRESSURE: 4442000 -52.3022 -145.105 -75.3915 -145.105 -167.185 -53.5666 -75.3912 -53.5675 22.0262 GPRESSURE: 4442000 -7.47374 -63.0415 -72.8152 -56.791 -147.775 -17.8115 15.285 -31.1613 38.6833 PRESSAVG: 4442000 1.90216 4.02415 10.081 4.02415 23.9726 30.7109 10.081 30.7109 -3.02412 GPRESSAVG: 4442000 2.92407 5.29806 9.17818 4.25885 22.8524 29.5145 11.6718 31.0743 -2.43752 TIMING: 4442000 CPU: 14353.3, 0.00315252/step Wall: 14353.3, 0.00315252/step, 0.48864 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4442000 3912.8065 20411.1034 14554.3565 263.2991 -203428.4599 2647.1308 0.0000 0.0000 51990.7157 -109649.0479 298.7914 -161639.7636 -109291.2369 299.4069 -65.8202 -38.8551 760498.2582 7.6169 7.7796 PRESSURE: 4442200 -88.2039 -90.1681 11.912 -90.1679 60.9937 -3.62664 11.9118 -3.62665 -174.097 GPRESSURE: 4442200 41.6573 -86.0689 -109.874 -98.5172 2.63388 1.65932 73.5126 5.66437 -169.225 PRESSAVG: 4442200 -37.7613 12.7003 -0.257646 12.7003 57.8558 10.5927 -0.25769 10.5928 2.16687 GPRESSAVG: 4442200 -37.7229 11.4927 -0.766461 13.0374 57.856 12.1958 0.613036 10.4239 2.47802 TIMING: 4442200 CPU: 14353.9, 0.0031475/step Wall: 14353.9, 0.0031475/step, 0.487688 hours remaining, 235.796875 MB of memory in use. ENERGY: 4442200 3946.8230 20425.5657 14486.8161 242.2643 -203465.7086 2525.7393 0.0000 0.0000 52181.9841 -109656.5162 299.8906 -161838.5003 -109297.9150 299.2842 -67.1025 -41.6444 759974.9821 7.4204 7.5370 PRESSURE: 4442400 181.457 185.278 146.389 185.278 -78.2904 -38.704 146.388 -38.7042 111.743 GPRESSURE: 4442400 199.236 207.919 141.288 218.515 -33.3294 -76.4447 217.057 -38.4652 143.778 PRESSAVG: 4442400 24.8581 18.0668 44.3817 18.0668 -23.3124 14.4 44.3816 14.3999 -0.504245 GPRESSAVG: 4442400 24.3389 17.9396 43.292 18.0385 -22.3564 12.4605 44.1199 16.3006 -0.818427 TIMING: 4442400 CPU: 14354.5, 0.0031194/step Wall: 14354.5, 0.00311939/step, 0.48316 hours remaining, 235.796875 MB of memory in use. ENERGY: 4442400 4003.8743 20480.0890 14471.7456 229.0061 -203328.1330 2570.6914 0.0000 0.0000 51944.9125 -109627.8140 298.5281 -161572.7266 -109268.0899 299.0917 71.6363 103.2283 761417.3017 0.3471 0.3880 PRESSURE: 4442600 -68.9348 -23.9839 -37.573 -23.9843 24.5361 -332.465 -37.5737 -332.465 262.337 GPRESSURE: 4442600 -115.605 -25.8971 0.434994 -136.867 104.107 -250.865 -100.526 -150.941 309.984 PRESSAVG: 4442600 48.0405 29.7002 33.3017 29.7001 -62.5535 -5.99505 33.3017 -5.995 8.68709 GPRESSAVG: 4442600 49.4054 29.3047 34.6547 31.1355 -64.2178 -3.62841 31.72 -7.25341 9.97296 TIMING: 4442600 CPU: 14355.2, 0.00313318/step Wall: 14355.2, 0.00313318/step, 0.485121 hours remaining, 235.796875 MB of memory in use. ENERGY: 4442600 3979.8969 20493.1711 14475.7680 269.1820 -203214.0877 2303.2514 0.0000 0.0000 51926.9995 -109765.8188 298.4252 -161692.8183 -109409.0868 299.2109 72.6460 99.4952 759681.9782 -1.9420 -1.6132 PRESSURE: 4442800 6.63611 -167.866 -106.458 -167.866 -289.548 -86.1391 -106.458 -86.1386 252.379 GPRESSURE: 4442800 18.8746 -147.521 -189.602 -46.3007 -250.059 -46.6159 -48.0804 -6.7431 288.798 PRESSAVG: 4442800 30.0712 -39.6327 51.6927 -39.6327 4.77525 -25.5996 51.6927 -25.5996 15.9921 GPRESSAVG: 4442800 30.7666 -38.4026 51.7174 -40.8378 4.66318 -28.7272 51.8903 -23.9284 15.1619 TIMING: 4442800 CPU: 14355.8, 0.00315698/step Wall: 14355.8, 0.00315698/step, 0.48863 hours remaining, 235.796875 MB of memory in use. ENERGY: 4442800 4053.4299 20575.7956 14465.2820 245.8843 -203624.6969 2809.9987 0.0000 0.0000 51953.2428 -109521.0637 298.5760 -161474.3065 -109164.3277 299.0661 -10.1776 19.2047 761070.2880 16.9462 16.8639 PRESSURE: 4443000 218.561 -85.7239 -29.8791 -85.7236 201.234 441.299 -29.8796 441.299 261.288 GPRESSURE: 4443000 324.686 -175.47 37.7336 -117.587 211.697 399.45 -49.6054 334.479 227.024 PRESSAVG: 4443000 49.7178 -43.1674 40.2755 -43.1674 -62.6759 48.2413 40.2755 48.2412 -21.3769 GPRESSAVG: 4443000 48.828 -43.2658 40.9363 -45.1572 -61.6905 49.1182 39.2765 48.423 -21.9092 TIMING: 4443000 CPU: 14356.4, 0.00316096/step Wall: 14356.4, 0.00316096/step, 0.48907 hours remaining, 235.796875 MB of memory in use. ENERGY: 4443000 3981.5979 20444.3986 14476.7708 256.6413 -203569.3899 2740.9801 0.0000 0.0000 52157.8163 -109511.1849 299.7517 -161669.0012 -109142.6445 299.2405 227.0276 254.4688 761310.6943 -11.4450 -11.5906 PRESSURE: 4443200 237.955 -20.1681 -271.246 -20.1679 -408.74 -335.471 -271.247 -335.471 61.4579 GPRESSURE: 4443200 217.303 -7.71935 -290.26 18.6323 -292.544 -355.651 -261.929 -236.885 22.4559 PRESSAVG: 4443200 6.66457 -61.9868 17.5864 -61.9868 32.6425 17.6414 17.5864 17.6414 -16.2989 GPRESSAVG: 4443200 5.60988 -63.7483 17.1684 -59.685 33.3691 19.3107 19.8843 16.4251 -16.2911 TIMING: 4443200 CPU: 14357.1, 0.00314162/step Wall: 14357.1, 0.00314162/step, 0.485903 hours remaining, 235.867188 MB of memory in use. ENERGY: 4443200 4085.0426 20525.1434 14390.4431 262.2552 -203357.9475 2440.9962 0.0000 0.0000 52075.8343 -109578.2326 299.2805 -161654.0670 -109217.8855 299.2860 -36.4424 -17.5950 762021.9843 7.6694 7.5627 PRESSURE: 4443400 -21.478 -62.4326 1.28605 -62.433 -104.872 -26.6974 1.28596 -26.6962 442.096 GPRESSURE: 4443400 -45.1346 -45.524 70.1108 -31.1618 -26.6581 -2.13434 -86.5978 -61.9274 455.604 PRESSAVG: 4443400 37.7746 -37.3964 -20.4664 -37.3964 -32.5043 9.65188 -20.4664 9.65184 17.7997 GPRESSAVG: 4443400 38.4534 -35.5566 -20.0977 -37.9182 -34.3051 9.60143 -21.2793 10.4256 18.0529 TIMING: 4443400 CPU: 14357.7, 0.00312517/step Wall: 14357.7, 0.00312517/step, 0.483186 hours remaining, 235.867188 MB of memory in use. ENERGY: 4443400 3996.6030 20407.8301 14511.4528 225.7085 -203369.3107 2491.0756 0.0000 0.0000 51689.9758 -110046.6649 297.0630 -161736.6407 -109690.0623 298.5758 105.2487 127.9372 759765.2722 7.6900 7.4004 PRESSURE: 4443600 440.852 -59.1801 -1.16671 -59.18 103.504 -9.37192 -1.16636 -9.37281 -93.2259 GPRESSURE: 4443600 467.173 15.4366 42.568 -61.8391 156.621 -67.8434 36.5585 -35.4622 -80.6433 PRESSAVG: 4443600 24.3022 -22.6412 6.98972 -22.6412 -31.218 -1.93854 6.98972 -1.93854 17.5396 GPRESSAVG: 4443600 23.8676 -24.0984 9.84121 -21.1314 -31.8703 -3.3752 5.14881 -2.6523 18.5655 TIMING: 4443600 CPU: 14358.3, 0.00314872/step Wall: 14358.3, 0.00314872/step, 0.486652 hours remaining, 235.867188 MB of memory in use. ENERGY: 4443600 4037.2379 20484.4305 14439.3639 239.6471 -203461.2868 2554.8431 0.0000 0.0000 51681.6606 -110024.1036 297.0152 -161705.7642 -109663.5572 298.1152 150.3767 181.0502 760484.6611 3.5413 3.5209 PRESSURE: 4443800 -369.667 230.518 -45.5587 230.518 -454.739 -14.6478 -45.5588 -14.6481 -38.6996 GPRESSURE: 4443800 -398.648 177.313 30.2139 214.429 -367.748 20.8454 28.0815 -110.516 -10.2762 PRESSAVG: 4443800 -16.7531 -49.2731 4.15612 -49.273 41.3795 -35.4377 4.15611 -35.4376 3.44396 GPRESSAVG: 4443800 -16.7255 -48.6914 1.60424 -49.9934 43.2917 -33.2679 4.27728 -35.1798 1.96088 TIMING: 4443800 CPU: 14358.9, 0.00314335/step Wall: 14358.9, 0.00314335/step, 0.485647 hours remaining, 235.851562 MB of memory in use. ENERGY: 4443800 3988.4182 20519.4041 14477.1191 235.3920 -203553.8072 2274.5010 0.0000 0.0000 51996.6023 -110062.3705 298.8252 -162058.9728 -109704.9842 298.7436 -287.7020 -258.8910 759204.9559 9.3568 9.5090 PRESSURE: 4444000 299.986 -33.1789 118.89 -33.1798 113.311 -98.4716 118.891 -98.472 386.15 GPRESSURE: 4444000 286.482 -81.653 131.601 -83.3743 140.92 -128.034 56.511 8.55219 464.844 PRESSAVG: 4444000 25.8751 -56.7705 13.6914 -56.7705 -16.3956 19.4666 13.6914 19.4665 17.8088 GPRESSAVG: 4444000 25.2419 -56.7699 14.0044 -57.054 -17.5711 17.3224 15.3781 18.0926 19.1081 TIMING: 4444000 CPU: 14359.6, 0.00314168/step Wall: 14359.6, 0.00314168/step, 0.485214 hours remaining, 235.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4444000 3979.7029 20442.6828 14488.6491 256.1780 -203778.1784 2677.5633 0.0000 0.0000 51737.4360 -110195.9663 297.3358 -161933.4023 -109830.1959 297.8459 266.4826 297.4152 758497.3288 9.0961 8.9263 PRESSURE: 4444200 -105.904 -94.2809 -27.0556 -94.2806 181.149 12.3662 -27.0552 12.3671 -127.613 GPRESSURE: 4444200 -75.3769 -56.7379 -83.6531 16.3419 158.872 19.482 0.207649 -101.482 -52.1915 PRESSAVG: 4444200 38.6904 -24.0587 -17.8187 -24.0587 -43.454 13.2479 -17.8187 13.2479 3.39527 GPRESSAVG: 4444200 40.0745 -22.9282 -18.7324 -23.8547 -44.0752 14.208 -17.0692 15.34 2.96593 TIMING: 4444200 CPU: 14360.2, 0.00311139/step Wall: 14360.2, 0.00311139/step, 0.480363 hours remaining, 235.851562 MB of memory in use. ENERGY: 4444200 3931.3777 20387.9720 14503.2325 253.7766 -203538.9292 2372.8007 0.0000 0.0000 52080.3239 -110009.4457 299.3063 -162089.7696 -109650.2522 298.1836 -17.4560 10.4344 758052.7517 -0.4561 -0.3449 LDB: ============= START OF LOAD BALANCING ============== 14372.6 LDB: ============== END OF LOAD BALANCING =============== 14372.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14372.6 LDB: ============= START OF LOAD BALANCING ============== 14372.9 LDB: Largest compute 7064 load 0.032851 is 16.8% of average load 0.195711 LDB: Average compute 0.004396 is 2.2% of average load 0.195711 LDB: TIME 14372.9 LOAD: AVG 0.195711 MAX 0.211322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.715 MB LDB: TIME 14372.9 LOAD: AVG 0.195711 MAX 0.211322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: TIME 14372.9 LOAD: AVG 0.195711 MAX 0.211322 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: ============== END OF LOAD BALANCING =============== 14372.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14372.9 PRESSURE: 4444400 102.701 264.317 58.6467 264.316 -263.561 229.942 58.6474 229.943 -69.8652 GPRESSURE: 4444400 121.86 129.597 -36.7267 266.309 -186.765 204.527 77.7122 44.6597 -90.6355 PRESSAVG: 4444400 13.7696 7.79034 59.7604 7.7903 -43.0731 59.6268 59.7604 59.6268 -3.54208 GPRESSAVG: 4444400 12.5899 6.78363 60.2213 4.92652 -42.2758 59.6608 58.8541 57.3642 -3.15628 TIMING: 4444400 CPU: 14360.8, 0.00321126/step Wall: 14360.8, 0.00321126/step, 0.495605 hours remaining, 234.812500 MB of memory in use. ENERGY: 4444400 3979.2240 20380.3604 14434.7300 257.8882 -203187.0530 2265.8962 0.0000 0.0000 51787.3675 -110081.5866 297.6227 -161868.9542 -109720.0434 298.0622 -76.9084 -51.8470 761071.6705 -10.9485 -10.9474 PRESSURE: 4444600 -121.333 -97.9289 122.519 -97.9294 59.112 39.2675 122.519 39.2675 -331.739 GPRESSURE: 4444600 -70.8293 -248.216 145.142 -108.028 135.008 39.0384 14.7082 51.9817 -358.494 PRESSAVG: 4444600 54.6427 -38.1846 40.7986 -38.1846 -51.2184 38.8815 40.7986 38.8815 -12.9753 GPRESSAVG: 4444600 55.0407 -36.9103 40.5743 -37.9173 -50.9497 38.3608 41.2453 40.548 -13.7932 TIMING: 4444600 CPU: 14361.5, 0.00312584/step Wall: 14361.5, 0.00312584/step, 0.482248 hours remaining, 235.156250 MB of memory in use. ENERGY: 4444600 3970.9375 20390.4624 14502.1374 255.7723 -203559.8426 2458.7863 0.0000 0.0000 51816.3772 -110165.3695 297.7894 -161981.7467 -109803.2870 297.8207 -131.3201 -98.1052 759102.6623 -3.1837 -3.2341 PRESSURE: 4444800 -508.951 -103.983 -117.786 -103.983 -429.775 -40.6958 -117.785 -40.6966 31.3919 GPRESSURE: 4444800 -390.003 -174.671 -23.7952 21.2686 -391.825 -2.66554 -95.7897 -101.14 -28.1545 PRESSAVG: 4444800 40.1536 -40.9277 112.158 -40.9277 -33.0479 -1.32514 112.158 -1.32514 -15.6189 GPRESSAVG: 4444800 39.9158 -42.8375 112.234 -38.286 -33.4194 0.377726 114.095 -1.9648 -14.8227 TIMING: 4444800 CPU: 14362.1, 0.00314064/step Wall: 14362.1, 0.00314064/step, 0.484357 hours remaining, 235.156250 MB of memory in use. ENERGY: 4444800 4027.8510 20618.3986 14414.5116 245.3962 -203269.0083 2207.0111 0.0000 0.0000 51974.8277 -109781.0121 298.7000 -161755.8398 -109420.8179 298.1613 -302.4446 -269.9941 761670.5084 -2.8377 -2.7755 PRESSURE: 4445000 234.125 -126.138 187.557 -126.138 124.042 -91.4094 187.557 -91.4099 -114.456 GPRESSURE: 4445000 253.656 -65.6253 234.602 -189.674 34.777 -82.1575 147.147 63.3922 27.4888 PRESSAVG: 4445000 20.3099 8.03968 16.0499 8.03967 -6.25458 -67.483 16.0499 -67.483 13.8417 GPRESSAVG: 4445000 20.2185 7.57207 16.4136 8.77984 -5.70629 -67.1663 13.3609 -68.0984 13.6595 TIMING: 4445000 CPU: 14362.7, 0.00314073/step Wall: 14362.7, 0.00314073/step, 0.484195 hours remaining, 235.355469 MB of memory in use. ENERGY: 4445000 4019.1636 20457.6224 14457.6913 246.8635 -203584.3522 2704.7083 0.0000 0.0000 51944.9586 -109753.3444 298.5284 -161698.3031 -109397.3363 298.9476 81.2370 105.3074 760414.1929 9.2990 9.3906 PRESSURE: 4445200 -381.955 156.009 107.494 156.01 363.3 -14.9899 107.494 -14.9893 -258.712 GPRESSURE: 4445200 -286.282 121.801 203.803 128.392 304.126 -60.3179 201.99 -11.2361 -203.728 PRESSAVG: 4445200 -1.70922 15.917 64.5681 15.917 47.0852 -35.1724 64.5681 -35.1724 -11.1125 GPRESSAVG: 4445200 -1.35099 16.3275 66.0393 15.3983 46.4835 -36.3413 65.6758 -33.1282 -10.9068 TIMING: 4445200 CPU: 14363.3, 0.00312888/step Wall: 14363.3, 0.00312888/step, 0.482196 hours remaining, 235.355469 MB of memory in use. ENERGY: 4445200 3991.1116 20500.1523 14467.0829 251.0983 -203727.2630 2666.9972 0.0000 0.0000 51941.5475 -109909.2732 298.5088 -161850.8207 -109551.2500 299.0302 -92.4555 -61.9612 759829.2712 11.4212 11.4086 PRESSURE: 4445400 468.722 -208.718 -36.5866 -208.718 276.202 118.781 -36.5867 118.781 76.5891 GPRESSURE: 4445400 491.814 -128.116 -103.321 -71.4362 280.014 51.837 -171.679 83.7762 132.702 PRESSAVG: 4445400 68.8132 -26.0772 32.643 -26.0773 -38.7202 21.1137 32.643 21.1137 -2.45603 GPRESSAVG: 4445400 68.4141 -25.6178 31.9992 -25.9539 -37.6 20.6515 31.1336 20.0799 -2.80243 TIMING: 4445400 CPU: 14364, 0.00313037/step Wall: 14364, 0.00313037/step, 0.482251 hours remaining, 235.355469 MB of memory in use. ENERGY: 4445400 3912.6504 20549.7539 14433.4736 256.2829 -203690.8217 2826.5790 0.0000 0.0000 51748.8256 -109963.2563 297.4012 -161712.0819 -109601.4709 298.3444 273.8376 301.5099 759103.3728 9.2123 9.3372 PRESSURE: 4445600 175.825 12.1588 13.068 12.1584 168.891 -89.9099 13.0687 -89.9094 -136.562 GPRESSURE: 4445600 155.69 28.7668 16.3367 -37.4505 224.576 -60.8233 -103.378 6.19048 -75.3641 PRESSAVG: 4445600 45.231 -68.3206 5.26481 -68.3206 -4.39186 49.0876 5.26489 49.0875 0.770835 GPRESSAVG: 4445600 46.6839 -67.7095 4.75267 -68.042 -5.63867 49.4671 6.29631 49.0788 0.696211 TIMING: 4445600 CPU: 14364.6, 0.00314054/step Wall: 14364.6, 0.00314054/step, 0.483643 hours remaining, 235.355469 MB of memory in use. ENERGY: 4445600 3921.3631 20469.2919 14459.2209 234.0195 -203269.2708 2225.4776 0.0000 0.0000 51854.0128 -110105.8850 298.0057 -161959.8978 -109735.0499 297.8312 69.3848 101.6338 760287.5590 13.8700 13.9138 PRESSURE: 4445800 -138.71 -55.1979 349.52 -55.1979 -81.1602 -43.9607 349.519 -43.9603 151.492 GPRESSURE: 4445800 -28.8155 -60.0455 327.075 -112.968 -96.6153 -9.11934 258.359 -69.526 141.68 PRESSAVG: 4445800 28.2065 -38.0443 10.5381 -38.0443 -54.3698 6.12665 10.5381 6.12662 -1.72946 GPRESSAVG: 4445800 26.8083 -36.3918 10.5213 -38.7377 -53.8272 5.94741 11.2577 7.87242 -0.578989 TIMING: 4445800 CPU: 14365.2, 0.00314318/step Wall: 14365.2, 0.00314318/step, 0.483876 hours remaining, 235.355469 MB of memory in use. ENERGY: 4445800 3932.9039 20539.0608 14422.0466 256.7816 -203250.0186 2620.7938 0.0000 0.0000 51803.7055 -109674.7264 297.7166 -161478.4319 -109311.1541 298.3946 -22.7929 5.4162 759906.7788 -9.2976 -9.1993 PRESSURE: 4446000 252.715 99.1129 -5.82413 99.113 271.12 -19.0834 -5.82404 -19.0832 433.693 GPRESSURE: 4446000 187.975 103.23 -6.30028 22.7101 405.2 -19.9201 13.0786 -104.92 467.053 PRESSAVG: 4446000 24.6801 -21.5814 17.3444 -21.5814 -11.6325 -11.3286 17.3444 -11.3286 -8.54454 GPRESSAVG: 4446000 23.5666 -22.5159 18.5045 -22.1353 -10.3314 -10.4163 16.3108 -14.7465 -9.28277 TIMING: 4446000 CPU: 14365.9, 0.00314698/step Wall: 14365.9, 0.00314698/step, 0.484286 hours remaining, 235.496094 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: 4446000 3905.1517 20503.1779 14439.0996 225.5580 -203722.8467 2906.6828 0.0000 0.0000 52101.4100 -109641.7667 299.4275 -161743.1767 -109281.7191 299.4370 319.1762 353.4093 758587.0388 1.5010 1.3175 PRESSURE: 4446200 -259.272 16.7411 -1.48934 16.7409 82.8049 -231.73 -1.49058 -231.73 -46.2491 GPRESSURE: 4446200 -105.673 -9.28573 69.7745 28.9455 -70.972 -211.961 51.3797 -231.48 12.1191 PRESSAVG: 4446200 34.5224 -1.64203 31.0914 -1.64209 -44.8294 -11.9586 31.0914 -11.9586 21.9799 GPRESSAVG: 4446200 37.6045 -1.73591 29.5216 0.00724113 -46.9555 -11.2724 33.523 -10.9276 21.3322 TIMING: 4446200 CPU: 14366.5, 0.00314419/step Wall: 14366.5, 0.00314419/step, 0.483681 hours remaining, 235.496094 MB of memory in use. ENERGY: 4446200 3929.9665 20443.9565 14506.8099 256.0378 -203393.7961 2583.2408 0.0000 0.0000 52113.7242 -109560.0604 299.4983 -161673.7846 -109195.2368 299.1459 -74.2389 -54.8418 760940.9433 3.8910 3.9937 PRESSURE: 4446400 187.678 187.961 111.431 187.96 -134.891 -13.3711 111.431 -13.3706 294.215 GPRESSURE: 4446400 288.81 163.722 42.5143 124.406 -78.6521 -145.118 149.143 46.1884 192.894 PRESSAVG: 4446400 1.25513 5.02679 16.23 5.02684 0.576495 4.53707 16.23 4.5371 8.01309 GPRESSAVG: 4446400 1.86421 4.33539 16.5839 4.49064 -0.432157 3.25784 14.8385 5.10726 8.09447 TIMING: 4446400 CPU: 14367.1, 0.00313924/step Wall: 14367.1, 0.00313924/step, 0.482745 hours remaining, 235.496094 MB of memory in use. ENERGY: 4446400 3998.9692 20652.8462 14451.1031 259.8821 -203779.4172 2638.8866 0.0000 0.0000 51970.3666 -109807.3633 298.6744 -161777.7300 -109451.9141 298.6715 115.6673 134.3506 758707.6318 3.2816 3.1755 PRESSURE: 4446600 -544.806 -69.4995 -75.8279 -69.4989 140.592 71.5886 -75.8284 71.588 80.9835 GPRESSURE: 4446600 -474.905 -105.293 -72.5993 -17.7512 131.758 42.3737 -106.104 126.939 115.793 PRESSAVG: 4446600 40.524 -33.5456 -36.2361 -33.5456 -29.4859 2.20172 -36.2361 2.2018 2.78408 GPRESSAVG: 4446600 39.4378 -32.7509 -37.4547 -32.756 -27.5739 1.30422 -36.2648 2.42499 1.84558 TIMING: 4446600 CPU: 14367.7, 0.00314861/step Wall: 14367.7, 0.00314861/step, 0.484012 hours remaining, 235.496094 MB of memory in use. ENERGY: 4446600 3991.1177 20463.9705 14440.2393 257.1477 -202853.0513 1990.6296 0.0000 0.0000 51990.2897 -109719.6568 298.7889 -161709.9465 -109349.9571 299.0613 -107.7436 -75.7849 760183.1472 4.6074 4.5698 PRESSURE: 4446800 172.39 290.039 308.533 290.039 57.3417 -26.1185 308.534 -26.1194 186.13 GPRESSURE: 4446800 188.608 301.816 167.655 249.292 139.405 -66.7257 315.967 -112.852 181.923 PRESSAVG: 4446800 -6.2245 -25.1844 5.73176 -25.1844 -22.1845 -1.04265 5.73187 -1.04267 31.2424 GPRESSAVG: 4446800 -6.83239 -26.1708 6.18653 -25.812 -22.3269 -0.13904 6.19491 -2.73174 31.8974 TIMING: 4446800 CPU: 14368.4, 0.00314782/step Wall: 14368.4, 0.00314782/step, 0.483715 hours remaining, 235.496094 MB of memory in use. ENERGY: 4446800 3954.6301 20420.7432 14466.4149 267.4620 -203546.8594 2760.7785 0.0000 0.0000 52113.6387 -109563.1919 299.4978 -161676.8306 -109210.0277 298.7127 138.6203 169.9787 759403.8114 0.9445 0.9127 PRESSURE: 4447000 -117.851 -116.086 47.8971 -116.086 -118.812 -140.889 47.8961 -140.889 -612.684 GPRESSURE: 4447000 -35.1827 -160.345 84.9679 -18.7699 -185.111 -85.3953 129.149 -169.197 -551.965 PRESSAVG: 4447000 28.5027 -49.0175 78.3445 -49.0176 -25.0136 -10.553 78.3445 -10.5532 -1.35181 GPRESSAVG: 4447000 28.0847 -49.8083 77.6943 -49.6492 -24.5357 -11.1085 78.2856 -8.00018 -1.29547 TIMING: 4447000 CPU: 14369, 0.00312753/step Wall: 14369, 0.00312753/step, 0.480423 hours remaining, 235.496094 MB of memory in use. ENERGY: 4447000 4029.7619 20311.8684 14491.7010 252.9774 -203255.3408 2685.1506 0.0000 0.0000 51981.7192 -109502.1624 298.7397 -161483.8816 -109142.5300 298.8525 -283.1156 -257.4194 760314.1911 0.7124 0.7512 PRESSURE: 4447200 -2.25063 -107.831 -152.303 -107.831 -269.114 151.363 -152.302 151.363 -447.308 GPRESSURE: 4447200 23.9253 -78.2084 -155.478 -116.775 -291.955 182.672 -33.1382 47.9539 -398.642 PRESSAVG: 4447200 43.8974 -38.8483 32.062 -38.8483 -72.9374 24.4583 32.0621 24.4582 4.89694 GPRESSAVG: 4447200 44.3186 -38.0327 33.4793 -36.7965 -73.7772 25.0365 30.8204 21.7374 5.6309 TIMING: 4447200 CPU: 14369.6, 0.00315113/step Wall: 14369.6, 0.00315113/step, 0.483874 hours remaining, 235.496094 MB of memory in use. ENERGY: 4447200 3845.6744 20566.3751 14530.8672 247.0021 -203202.9031 2411.1643 0.0000 0.0000 52030.3594 -109571.4606 299.0192 -161601.8201 -109207.3176 299.2154 -239.5572 -222.2237 763149.2069 -8.0477 -7.9426 PRESSURE: 4447400 61.9862 9.3679 -4.22924 9.36738 -375.636 -162.33 -4.23008 -162.33 -171.31 GPRESSURE: 4447400 87.8874 -31.6572 5.26775 59.0237 -311.946 -184.764 -89.6303 -163.701 -175.533 PRESSAVG: 4447400 36.2067 1.02694 -0.230161 1.02689 -38.7784 22.6869 -0.230158 22.6869 -25.3189 GPRESSAVG: 4447400 35.2123 0.493564 1.47202 1.31043 -36.1003 23.5358 -1.361 24.7357 -26.7081 TIMING: 4447400 CPU: 14370.3, 0.00314323/step Wall: 14370.3, 0.00314323/step, 0.482486 hours remaining, 235.496094 MB of memory in use. ENERGY: 4447400 4080.9128 20466.0487 14359.9024 246.0032 -203418.7281 2570.2663 0.0000 0.0000 52026.6395 -109668.9551 298.9978 -161695.5947 -109313.2714 299.0063 -161.6532 -133.1975 760802.3312 -9.2969 -9.1987 PRESSURE: 4447600 97.6989 48.7964 244.167 48.7959 320.308 27.5202 244.166 27.5195 -366.114 GPRESSURE: 4447600 111.77 57.756 245.979 37.1725 298.275 35.2781 207.11 21.6887 -289.342 PRESSAVG: 4447600 60.7516 -13.3906 -16.4622 -13.3906 -54.5398 4.07472 -16.4622 4.07465 10.5686 GPRESSAVG: 4447600 61.2725 -13.102 -19.6451 -14.6986 -56.9363 1.84912 -11.7965 5.00964 12.0079 TIMING: 4447600 CPU: 14370.9, 0.00314467/step Wall: 14370.9, 0.00314467/step, 0.482532 hours remaining, 235.496094 MB of memory in use. ENERGY: 4447600 3961.8065 20629.6882 14401.6893 227.7285 -203406.2783 2523.6884 0.0000 0.0000 51911.8949 -109749.7824 298.3384 -161661.6773 -109386.5032 299.0786 17.2978 40.2341 759961.1404 5.5935 5.4480 PRESSURE: 4447800 -213.661 -158.375 -4.56126 -158.376 54.5796 83.8939 -4.56217 83.8946 -118.028 GPRESSURE: 4447800 -235.552 -59.1334 75.1647 -25.3888 99.6186 109.865 -1.59898 165.06 -64.0768 PRESSAVG: 4447800 1.29383 -19.8961 -22.5375 -19.8962 -8.47936 13.9795 -22.5375 13.9796 -4.25745 GPRESSAVG: 4447800 0.796367 -19.9156 -21.212 -18.9971 -7.15214 16.1286 -25.3487 12.69 -4.8247 TIMING: 4447800 CPU: 14371.5, 0.00315117/step Wall: 14371.5, 0.00315117/step, 0.483355 hours remaining, 235.496094 MB of memory in use. ENERGY: 4447800 4000.6446 20624.8529 14443.3910 240.3865 -203276.7477 2404.5538 0.0000 0.0000 51843.5711 -109719.3478 297.9457 -161562.9189 -109357.1634 299.2412 -92.3699 -66.6700 760607.5355 -3.8143 -3.7268 PRESSURE: 4448000 69.2483 54.3516 -105.527 54.3522 -50.6994 123.19 -105.526 123.189 -341.936 GPRESSURE: 4448000 99.8454 85.98 -156.189 28.9102 59.6985 167.636 -28.7134 191.909 -408.504 PRESSAVG: 4448000 -29.1529 48.3124 -95.151 48.3124 53.8938 36.0143 -95.151 36.0143 -4.94825 GPRESSAVG: 4448000 -27.8064 48.0354 -95.9197 48.079 54.0318 35.7228 -94.7473 35.3719 -6.2422 TIMING: 4448000 CPU: 14372.1, 0.0031305/step Wall: 14372.1, 0.0031305/step, 0.48001 hours remaining, 235.496094 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: 4448000 4027.0923 20411.4064 14406.5113 245.4927 -203112.4977 2275.0085 0.0000 0.0000 52022.1172 -109724.8693 298.9718 -161746.9865 -109358.4168 298.5985 -107.7956 -82.9865 760870.7238 6.5976 6.6611 PRESSURE: 4448200 -379.68 -115.625 -21.4218 -115.625 -548.43 -138.183 -21.422 -138.182 -252.645 GPRESSURE: 4448200 -313.838 -133.838 -85.9825 -61.963 -552.751 -178.938 103.313 -201.15 -232.025 PRESSAVG: 4448200 18.3743 3.50912 17.5912 3.50914 20.2421 -69.1813 17.5912 -69.1812 -7.25904 GPRESSAVG: 4448200 17.3522 3.8018 18.7379 4.77082 19.9751 -71.1232 17.3904 -67.1304 -5.73345 TIMING: 4448200 CPU: 14372.8, 0.00313945/step Wall: 14372.8, 0.00313945/step, 0.481207 hours remaining, 235.496094 MB of memory in use. ENERGY: 4448200 4034.8554 20447.5294 14406.6825 249.0982 -202902.7553 2118.3006 0.0000 0.0000 52176.4421 -109469.8471 299.8587 -161646.2892 -109111.9197 298.9109 -393.5850 -366.2046 762221.3267 10.4524 10.5313 LDB: ============= START OF LOAD BALANCING ============== 14385.2 LDB: ============== END OF LOAD BALANCING =============== 14385.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14385.2 LDB: ============= START OF LOAD BALANCING ============== 14385.5 LDB: Largest compute 7049 load 0.034254 is 17.5% of average load 0.195568 LDB: Average compute 0.004380 is 2.2% of average load 0.195568 LDB: TIME 14385.5 LOAD: AVG 0.195568 MAX 0.213641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 14385.5 LOAD: AVG 0.195568 MAX 0.213641 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 14385.5 LOAD: AVG 0.195568 MAX 0.213641 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 14385.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14385.5 PRESSURE: 4448400 79.4013 271.952 140.582 271.951 -236.041 -96.7053 140.582 -96.7043 -581.361 GPRESSURE: 4448400 89.4009 332.007 181.033 203.479 -191.987 -101.727 102.761 -231.458 -557.955 PRESSAVG: 4448400 -41.0781 -42.8465 15.7985 -42.8466 -15.7528 -8.90659 15.7985 -8.90659 11.6914 GPRESSAVG: 4448400 -40.9652 -42.0959 16.4386 -44.4893 -16.5416 -5.17574 15.1953 -9.88485 12.4165 TIMING: 4448400 CPU: 14373.4, 0.00319597/step Wall: 14373.4, 0.00319597/step, 0.489694 hours remaining, 236.730469 MB of memory in use. ENERGY: 4448400 4037.8370 20296.3756 14430.4476 247.3674 -202859.8028 2274.1856 0.0000 0.0000 51970.9276 -109602.6620 298.6776 -161573.5896 -109234.7137 298.8179 -246.0000 -220.1800 761354.4717 -15.0465 -15.0301 PRESSURE: 4448600 157.632 -214.868 -42.7259 -214.867 121.466 8.75947 -42.7257 8.75925 -320.497 GPRESSURE: 4448600 220.953 -106.752 -72.5311 -149.293 126.198 -26.238 -73.2811 -131.1 -305.295 PRESSAVG: 4448600 -77.1418 -12.8202 10.1162 -12.8202 23.8398 1.43721 10.1162 1.43724 19.0392 GPRESSAVG: 4448600 -77.0818 -14.1682 6.72908 -11.8908 25.9403 0.231626 9.98552 0.238408 17.13 TIMING: 4448600 CPU: 14374, 0.00313088/step Wall: 14374, 0.00313088/step, 0.479546 hours remaining, 236.738281 MB of memory in use. ENERGY: 4448600 3928.3763 20610.0676 14499.5292 255.2812 -203469.0595 2450.7957 0.0000 0.0000 52028.9571 -109696.0524 299.0111 -161725.0095 -109327.4477 298.7193 -13.7997 13.9520 761741.4346 -11.4209 -11.3371 PRESSURE: 4448800 -36.1233 -18.6515 -130.258 -18.6512 -83.5078 -95.0631 -130.258 -95.0624 -96.8043 GPRESSURE: 4448800 -88.0707 -40.5278 -24.9929 37.5604 -59.8732 -30.9307 -228.329 -101.925 -8.17479 PRESSAVG: 4448800 -41.9368 10.3543 26.8722 10.3543 59.0007 -59.6851 26.8723 -59.6851 -7.21172 GPRESSAVG: 4448800 -41.6269 10.5985 28.052 9.19254 57.5701 -59.1514 28.0316 -60.5708 -6.38372 TIMING: 4448800 CPU: 14374.7, 0.00312537/step Wall: 14374.7, 0.00312537/step, 0.478528 hours remaining, 236.738281 MB of memory in use. ENERGY: 4448800 4005.7417 20528.1782 14433.8715 253.6346 -203469.5184 2295.7869 0.0000 0.0000 52023.6823 -109928.6231 298.9808 -161952.3054 -109561.0036 298.6240 -72.1451 -52.0396 759760.5804 3.2841 3.1865 PRESSURE: 4449000 4.32402 -216.603 58.2735 -216.603 203.01 -122.5 58.2737 -122.499 87.9197 GPRESSURE: 4449000 34.1851 -82.2777 83.3367 -346.208 221.773 -106.229 14.5475 -134.998 126.979 PRESSAVG: 4449000 -10.066 -14.7537 -36.4616 -14.7537 33.3894 21.7154 -36.4616 21.7152 -0.470027 GPRESSAVG: 4449000 -11.2076 -13.8994 -35.4253 -14.3853 33.6335 20.9735 -37.6271 24.9813 0.167528 TIMING: 4449000 CPU: 14375.3, 0.00315581/step Wall: 14375.3, 0.00315581/step, 0.483014 hours remaining, 236.738281 MB of memory in use. ENERGY: 4449000 3937.9231 20465.1723 14488.8800 264.1241 -203673.4203 2542.8781 0.0000 0.0000 52158.2097 -109816.2330 299.7539 -161974.4427 -109446.3548 298.4080 98.4178 127.6455 760770.3819 7.6178 7.5311 PRESSURE: 4449200 143.045 -126.278 -115.322 -126.277 178.408 140.316 -115.323 140.314 181.547 GPRESSURE: 4449200 265.469 -107.485 -136.037 -23.3913 81.7563 104.763 -110.953 62.4365 242.875 PRESSAVG: 4449200 -0.468917 -67.6377 -51.6349 -67.6376 9.69381 -18.3628 -51.635 -18.3629 -9.88151 GPRESSAVG: 4449200 0.431151 -68.1431 -51.1346 -66.4275 8.91794 -19.7086 -51.7917 -17.9833 -9.81601 TIMING: 4449200 CPU: 14375.9, 0.00314165/step Wall: 14375.9, 0.00314165/step, 0.480673 hours remaining, 236.738281 MB of memory in use. ENERGY: 4449200 3878.1977 20539.2800 14437.0588 247.0295 -203638.0881 2674.5307 0.0000 0.0000 51930.8017 -109931.1899 298.4470 -161861.9915 -109564.8649 298.1528 167.6664 196.7001 760966.9058 -0.2189 -0.1556 PRESSURE: 4449400 -15.6566 -138.431 111.482 -138.431 41.8498 108.776 111.481 108.776 75.7926 GPRESSURE: 4449400 15.6672 -155.519 173.302 -110.323 67.4271 72.3679 62.6336 130.002 116.381 PRESSAVG: 4449400 -60.4924 -15.9836 -62.4702 -15.9836 40.1989 7.06293 -62.4702 7.06285 6.63035 GPRESSAVG: 4449400 -59.8244 -15.7818 -64.3328 -17.0483 40.363 8.27762 -62.6327 5.0742 5.93277 TIMING: 4449400 CPU: 14376.5, 0.00314246/step Wall: 14376.5, 0.00314246/step, 0.480622 hours remaining, 236.738281 MB of memory in use. ENERGY: 4449400 3987.9887 20488.3866 14484.8328 262.2002 -203562.3058 2468.9839 0.0000 0.0000 51882.2595 -109987.6541 298.1681 -161869.9136 -109623.1308 298.1165 33.9953 66.4916 760764.2263 -4.5544 -4.5095 PRESSURE: 4449600 82.88 41.1462 -239.394 41.1459 170.904 92.1738 -239.394 92.1741 181.072 GPRESSURE: 4449600 5.77033 97.4033 -160.728 2.15505 313.158 143.741 -175.693 73.0503 206.98 PRESSAVG: 4449600 -24.3241 7.38362 38.9258 7.38364 44.1517 41.9561 38.9258 41.9562 -8.35472 GPRESSAVG: 4449600 -24.7565 6.72997 39.0369 7.80184 46.0444 39.4179 38.7258 42.7636 -9.77191 TIMING: 4449600 CPU: 14377.2, 0.00315351/step Wall: 14377.2, 0.00315351/step, 0.482137 hours remaining, 236.738281 MB of memory in use. ENERGY: 4449600 4018.2891 20450.3060 14448.1536 251.2917 -203771.1454 2748.8372 0.0000 0.0000 51896.6719 -109957.5960 298.2509 -161854.2678 -109603.2525 298.4785 144.9519 175.3027 759066.0735 3.8243 3.8387 PRESSURE: 4449800 -176.023 213.585 274.682 213.584 69.9739 -5.18839 274.681 -5.1875 -34.1905 GPRESSURE: 4449800 -138.487 217.04 205.64 132.902 195.149 -32.7148 150.5 15.1301 -121.44 PRESSAVG: 4449800 28.4945 60.0752 22.4022 60.0752 1.23912 2.92919 22.4021 2.92923 -1.94285 GPRESSAVG: 4449800 28.1891 60.5072 23.5848 59.5038 0.615459 4.29536 23.2127 2.74687 -1.27542 TIMING: 4449800 CPU: 14377.8, 0.00315976/step Wall: 14377.8, 0.00315976/step, 0.482917 hours remaining, 236.738281 MB of memory in use. ENERGY: 4449800 4010.6572 20605.5295 14429.5554 247.7560 -203411.0828 2430.5384 0.0000 0.0000 51996.9621 -109690.0842 298.8273 -161687.0463 -109341.8538 298.5775 -46.7466 -21.5930 759096.8037 9.2636 9.1764 PRESSURE: 4450000 37.0705 -8.50021 -109.923 -8.49921 -75.6821 47.8727 -109.923 47.8719 -575.383 GPRESSURE: 4450000 -19.2603 -89.292 -59.9451 65.9569 -56.1619 125.152 -167.217 50.2477 -454.706 PRESSAVG: 4450000 0.603232 -0.37057 -25.7525 -0.37055 13.4945 28.185 -25.7524 28.185 4.64211 GPRESSAVG: 4450000 0.139567 -0.647422 -27.2981 1.24758 12.4912 29.2102 -27.7525 26.6744 6.27689 TIMING: 4450000 CPU: 14378.4, 0.00314102/step Wall: 14378.4, 0.00314102/step, 0.479878 hours remaining, 236.738281 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: 4450000 4106.5926 20607.1804 14383.8567 238.0374 -203544.8040 2677.0348 0.0000 0.0000 51950.9744 -109581.1276 298.5630 -161532.1020 -109226.8896 299.2826 -204.6650 -176.7093 761213.3641 6.2466 6.3025 PRESSURE: 4450200 62.3657 192.512 -24.6522 192.512 -202.57 -131.322 -24.6527 -131.322 -452.92 GPRESSURE: 4450200 150.317 187.149 -31.6618 64.7404 -235.318 -118.503 83.5118 -213.132 -409.906 PRESSAVG: 4450200 25.7213 20.5809 -70.761 20.5809 -72.511 25.4809 -70.761 25.4809 -6.02822 GPRESSAVG: 4450200 26.1712 17.7222 -70.9181 19.0473 -73.1772 25.6628 -69.4013 27.7745 -6.15059 TIMING: 4450200 CPU: 14379.1, 0.00314664/step Wall: 14379.1, 0.00314664/step, 0.480562 hours remaining, 236.738281 MB of memory in use. ENERGY: 4450200 4073.9522 20552.3247 14457.4052 259.1660 -203463.9305 2658.7348 0.0000 0.0000 51988.7182 -109473.6294 298.7799 -161462.3476 -109115.4243 299.2289 -197.7082 -164.9691 760017.6482 -17.6060 -17.7189 PRESSURE: 4450400 591.478 157.62 16.2293 157.621 -294.163 54.3382 16.2298 54.3391 -185.357 GPRESSURE: 4450400 482.463 57.7072 69.9643 244.461 -90.5422 66.2203 20.1223 2.99644 -191.512 PRESSAVG: 4450400 2.43703 6.58838 -35.3864 6.5884 -18.9002 21.3644 -35.3864 21.3644 10.723 GPRESSAVG: 4450400 3.86163 7.27992 -35.3743 8.90786 -18.896 20.8219 -32.3179 21.6751 9.31006 TIMING: 4450400 CPU: 14379.7, 0.00314991/step Wall: 14379.7, 0.00314991/step, 0.480887 hours remaining, 236.738281 MB of memory in use. ENERGY: 4450400 3980.4080 20559.2303 14488.5884 235.6392 -203457.4900 2484.5439 0.0000 0.0000 52125.3645 -109583.7158 299.5652 -161709.0802 -109223.3790 299.3816 37.3193 66.8029 760385.3775 -1.9134 -1.9081 PRESSURE: 4450600 -2.44017 -126.38 -73.9268 -126.379 -19.5687 101.302 -73.9274 101.302 30.2437 GPRESSURE: 4450600 38.7984 -157.612 -102.01 -197.766 -39.7859 156.832 -168.217 28.4057 79.4771 PRESSAVG: 4450600 11.3872 -49.8411 -25.3598 -49.8411 16.3888 -12.0605 -25.3598 -12.0605 -24.9006 GPRESSAVG: 4450600 9.70923 -48.2569 -25.3446 -53.1831 17.6427 -13.6162 -26.437 -13.2765 -24.4921 TIMING: 4450600 CPU: 14380.3, 0.0031482/step Wall: 14380.3, 0.0031482/step, 0.480451 hours remaining, 236.738281 MB of memory in use. ENERGY: 4450600 4023.0409 20539.6197 14536.6707 257.5437 -203591.9194 2436.2675 0.0000 0.0000 52135.5379 -109663.2389 299.6237 -161798.7767 -109305.9742 298.7925 2.7450 26.1632 761194.2899 0.9585 0.9533 PRESSURE: 4450800 -72.4739 92.6009 4.07867 92.601 -103.836 309.483 4.07902 309.483 -103.594 GPRESSURE: 4450800 -81.2867 47.0069 38.4755 53.9385 -25.2388 278.837 -124.283 281.551 -82.5543 PRESSAVG: 4450800 7.02324 -30.9699 42.4263 -30.9699 -24.9506 4.10873 42.4264 4.10874 -2.47746 GPRESSAVG: 4450800 7.59559 -30.4539 42.0755 -30.7395 -25.6538 6.40414 41.3369 3.0907 -2.54849 TIMING: 4450800 CPU: 14381, 0.00313516/step Wall: 14381, 0.00313516/step, 0.478286 hours remaining, 236.738281 MB of memory in use. ENERGY: 4450800 3923.8439 20519.2350 14493.2506 259.8995 -203428.6283 2527.7952 0.0000 0.0000 52286.8583 -109417.7459 300.4933 -161704.6042 -109054.4731 299.4417 -93.3013 -63.0266 762078.5210 -6.8016 -6.8689 PRESSURE: 4451000 -44.3614 -198.077 -109.924 -198.077 435.811 -68.6017 -109.924 -68.6012 442.462 GPRESSURE: 4451000 1.95832 -153.878 -164.727 -70.9944 513.039 -122.676 -148.981 -26.758 398.633 PRESSAVG: 4451000 23.4578 -55.8133 -24.4952 -55.8133 7.18304 54.1372 -24.4952 54.1371 -10.2535 GPRESSAVG: 4451000 22.3845 -55.4226 -24.4604 -56.6836 8.00651 53.7301 -25.2783 54.3442 -9.91609 TIMING: 4451000 CPU: 14381.6, 0.0031474/step Wall: 14381.6, 0.0031474/step, 0.479979 hours remaining, 236.738281 MB of memory in use. ENERGY: 4451000 4071.1002 20624.8400 14500.8227 250.9571 -203796.6352 3011.6488 0.0000 0.0000 52102.0722 -109235.1943 299.4313 -161337.2665 -108872.2269 300.1426 277.9705 304.5435 762816.4468 6.7958 6.8250 PRESSURE: 4451200 124.559 133.622 27.5209 133.624 -323.074 -90.3929 27.5203 -90.3928 -327.134 GPRESSURE: 4451200 163.63 74.8041 17.992 177.42 -192.248 -95.9212 18.8859 -187.238 -417.539 PRESSAVG: 4451200 45.6107 8.33172 -40.8319 8.33172 -5.23689 -58.9873 -40.8318 -58.9872 27.7053 GPRESSAVG: 4451200 45.575 7.85921 -41.5344 9.95378 -5.67934 -59.9583 -39.5535 -59.0484 27.7322 TIMING: 4451200 CPU: 14382.2, 0.00316035/step Wall: 14382.2, 0.00316035/step, 0.481778 hours remaining, 236.738281 MB of memory in use. ENERGY: 4451200 4056.1863 20475.2878 14514.0503 228.6900 -203531.0001 2465.6133 0.0000 0.0000 52343.7864 -109447.3860 300.8205 -161791.1725 -109073.8743 300.0846 -175.2163 -148.7190 763256.7454 22.6930 22.5426 PRESSURE: 4451400 18.1611 -145.3 8.939 -145.3 75.6074 -38.1514 8.94066 -38.1514 -190.984 GPRESSURE: 4451400 67.4287 -111.399 17.3744 -151.307 117.316 31.4719 135.119 -75.451 -184.483 PRESSAVG: 4451400 4.05758 -15.3167 -59.7531 -15.3167 23.8616 10.5068 -59.753 10.5067 -26.3894 GPRESSAVG: 4451400 5.10588 -16.8027 -58.1624 -14.8925 22.6654 10.9594 -58.7331 9.8283 -26.4278 TIMING: 4451400 CPU: 14382.8, 0.0031595/step Wall: 14382.8, 0.0031595/step, 0.481473 hours remaining, 236.738281 MB of memory in use. ENERGY: 4451400 4076.9650 20584.5619 14504.5086 229.5418 -203312.8258 2400.2124 0.0000 0.0000 51958.6315 -109558.4046 298.6070 -161517.0361 -109197.6214 299.1919 -32.4053 0.0872 761167.5009 0.5099 0.4478 PRESSURE: 4451600 -67.9818 10.1008 165.369 10.1019 72.3832 165.695 165.369 165.695 224.615 GPRESSURE: 4451600 18.6573 109.554 189.71 1.97212 2.05046 183.419 11.7471 199.92 288.131 PRESSAVG: 4451600 -1.5727 -10.6173 -4.55435 -10.6173 -25.414 -7.61978 -4.55435 -7.61978 34.2744 GPRESSAVG: 4451600 -1.52745 -10.7599 -5.55732 -10.5903 -24.8348 -6.86712 -5.4227 -5.54549 33.4472 TIMING: 4451600 CPU: 14383.5, 0.00313641/step Wall: 14383.5, 0.00313641/step, 0.47778 hours remaining, 236.738281 MB of memory in use. ENERGY: 4451600 3965.4281 20548.0015 14471.9602 249.8640 -203469.8490 2744.8312 0.0000 0.0000 51948.8181 -109540.9459 298.5506 -161489.7639 -109180.8770 299.1084 76.3387 102.9461 761557.1985 2.4293 2.3616 PRESSURE: 4451800 73.1487 42.0209 -88.6909 42.0211 -352.552 -23.868 -88.6907 -23.8669 301.331 GPRESSURE: 4451800 103.421 16.6095 -244.598 -17.6379 -227.407 6.9947 1.43523 -0.64464 245.413 PRESSAVG: 4451800 62.7387 39.3854 -28.0513 39.3854 -5.34144 -10.2528 -28.0513 -10.2529 8.08974 GPRESSAVG: 4451800 62.801 40.6809 -27.3332 37.9732 -4.86518 -9.81489 -29.8202 -12.1682 8.24498 TIMING: 4451800 CPU: 14384.1, 0.00311901/step Wall: 14384.1, 0.00311901/step, 0.474955 hours remaining, 236.738281 MB of memory in use. ENERGY: 4451800 3951.7060 20482.6666 14537.5298 255.7360 -203029.1274 2345.7051 0.0000 0.0000 51958.6272 -109497.1567 298.6069 -161455.7839 -109138.0720 299.5096 7.3091 40.4758 760028.8343 21.8290 22.0603 PRESSURE: 4452000 104.163 -90.4599 113.334 -90.4595 169.368 -33.0506 113.334 -33.0506 -264.866 GPRESSURE: 4452000 52.5237 -81.8244 158.703 -34.3134 302.55 -3.46095 61.8032 -45.4367 -269.52 PRESSAVG: 4452000 68.9977 3.05878 -46.1845 3.05877 4.31411 -27.7599 -46.1844 -27.76 11.7111 GPRESSAVG: 4452000 67.9993 3.50278 -46.4318 2.245 5.01434 -27.9576 -43.1539 -27.1959 12.3111 TIMING: 4452000 CPU: 14384.7, 0.00313929/step Wall: 14384.7, 0.00313929/step, 0.47787 hours remaining, 236.738281 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: 4452000 4008.7965 20408.6128 14460.2393 230.5192 -203312.2673 2554.4195 0.0000 0.0000 52111.4017 -109538.2783 299.4849 -161649.6800 -109172.5793 298.9249 2.8883 28.5180 760484.3054 28.3410 28.4416 PRESSURE: 4452200 -106.858 93.823 -159.069 93.8234 -286.964 -59.0621 -159.069 -59.0622 79.7321 GPRESSURE: 4452200 -90.7668 101.974 -167.924 101.698 -221.059 -50.8996 -215.251 -148 57.5251 PRESSAVG: 4452200 10.137 36.7445 -56.7204 36.7445 -34.4905 -0.752823 -56.7204 -0.752718 -13.096 GPRESSAVG: 4452200 9.96702 35.4273 -55.3633 38.4787 -33.4899 -0.697575 -58.0068 -0.575847 -13.7575 TIMING: 4452200 CPU: 14385.4, 0.00314213/step Wall: 14385.4, 0.00314212/step, 0.478127 hours remaining, 236.738281 MB of memory in use. ENERGY: 4452200 3949.0801 20307.2248 14503.6599 233.5019 -203163.7480 2432.4046 0.0000 0.0000 52158.3251 -109579.5517 299.7546 -161737.8768 -109214.7432 299.0102 -104.6966 -84.7669 762415.0296 -12.4832 -12.4268 LDB: ============= START OF LOAD BALANCING ============== 14397.8 LDB: ============== END OF LOAD BALANCING =============== 14397.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14397.8 LDB: ============= START OF LOAD BALANCING ============== 14398.1 LDB: Largest compute 7068 load 0.033016 is 16.9% of average load 0.195602 LDB: Average compute 0.004409 is 2.3% of average load 0.195602 LDB: TIME 14398.1 LOAD: AVG 0.195602 MAX 0.21663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.012 MB LDB: TIME 14398.1 LOAD: AVG 0.195602 MAX 0.21663 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: TIME 14398.1 LOAD: AVG 0.195602 MAX 0.21663 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: ============== END OF LOAD BALANCING =============== 14398.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14398.1 PRESSURE: 4452400 270.228 -222.663 -156.09 -222.663 202.89 -84.3288 -156.089 -84.3295 72.9482 GPRESSURE: 4452400 290.19 -257.203 -80.3177 -202.711 224.18 -52.2526 -80.2135 -62.9203 111.782 PRESSAVG: 4452400 -60.0395 17.1246 -23.5705 17.1247 6.59431 -38.2094 -23.5705 -38.2094 21.9722 GPRESSAVG: 4452400 -58.8947 20.7307 -25.616 15.8188 5.06511 -37.2781 -24.2844 -39.3322 22.7061 TIMING: 4452400 CPU: 14386, 0.00322111/step Wall: 14386, 0.00322111/step, 0.489967 hours remaining, 235.144531 MB of memory in use. ENERGY: 4452400 3986.5546 20298.8132 14546.8002 253.0643 -203742.1421 2834.5853 0.0000 0.0000 52250.4579 -109571.8666 300.2841 -161822.3246 -109210.2307 299.2552 182.0220 208.7175 761800.1648 -10.4910 -10.3745 PRESSURE: 4452600 -90.2879 -19.2542 34.4416 -19.254 -275.44 -45.3427 34.4414 -45.3421 -22.6986 GPRESSURE: 4452600 -121.999 -112.109 83.9189 -25.0338 -200.597 -19.9124 -95.4545 -49.3205 21.2791 PRESSAVG: 4452600 47.4645 -5.76617 -51.283 -5.76617 -4.87 7.64011 -51.2829 7.6401 31.5485 GPRESSAVG: 4452600 46.7512 -8.61863 -51.7571 -5.075 -4.12202 8.00582 -49.6461 7.36832 31.5734 TIMING: 4452600 CPU: 14386.6, 0.00313866/step Wall: 14386.6, 0.00313866/step, 0.477251 hours remaining, 235.144531 MB of memory in use. ENERGY: 4452600 3942.1247 20483.3286 14510.9731 224.5109 -202961.5865 2284.0241 0.0000 0.0000 51811.7382 -109704.8868 297.7628 -161516.6251 -109346.5117 298.9461 -129.4757 -100.4390 761799.1484 24.7143 24.7342 PRESSURE: 4452800 -398.481 11.9906 -182.173 11.9911 98.2748 29.0276 -182.173 29.0286 -131.726 GPRESSURE: 4452800 -257.358 81.9969 -220.3 -70.0062 52.9188 76.6769 -206.482 99.4846 -130.279 PRESSAVG: 4452800 -12.1152 11.1424 -3.49568 11.1424 25.827 12.0577 -3.49567 12.0577 8.07384 GPRESSAVG: 4452800 -12.7948 10.1535 -3.62191 10.0091 25.6006 11.3711 -4.18636 11.624 8.58401 TIMING: 4452800 CPU: 14387.3, 0.00313281/step Wall: 14387.3, 0.00313281/step, 0.476188 hours remaining, 235.144531 MB of memory in use. ENERGY: 4452800 4028.6711 20373.6961 14532.4220 258.2836 -203215.0235 2593.9375 0.0000 0.0000 51923.6589 -109504.3543 298.4060 -161428.0132 -109147.8483 299.2357 -143.9773 -111.5728 761822.5103 7.2619 7.1300 PRESSURE: 4453000 -89.5887 -121.371 11.933 -121.371 73.5515 22.0658 11.9326 22.067 -419.684 GPRESSURE: 4453000 -11.2285 -156.863 -12.9354 60.3441 36.4856 -20.4217 170.07 -77.0917 -370.632 PRESSAVG: 4453000 -93.6997 3.36885 14.0417 3.36881 77.6363 -43.7103 14.0418 -43.7103 12.541 GPRESSAVG: 4453000 -91.5355 2.85701 14.3481 8.3503 77.0962 -45.1423 15.777 -43.7574 10.7525 TIMING: 4453000 CPU: 14387.9, 0.00313858/step Wall: 14387.9, 0.00313858/step, 0.47689 hours remaining, 235.144531 MB of memory in use. ENERGY: 4453000 4026.9998 20334.9257 14490.2608 245.8326 -202898.4345 2301.5392 0.0000 0.0000 52188.6439 -109310.2324 299.9289 -161498.8764 -108955.6546 299.3690 -145.2406 -115.1249 761830.7202 -1.1742 -1.2290 PRESSURE: 4453200 -413.526 37.5263 -13.6343 37.5266 14.4462 -134.709 -13.6341 -134.709 102.847 GPRESSURE: 4453200 -318.631 -28.0333 -61.1438 -14.6724 21.5379 -47.2422 -0.322922 -1.68486 74.8099 PRESSAVG: 4453200 33.2941 -22.5733 33.384 -22.5733 13.6118 -26.6284 33.384 -26.6285 6.24329 GPRESSAVG: 4453200 31.8321 -20.0685 32.4059 -25.5002 14.1303 -25.0676 31.7116 -24.2668 6.81125 TIMING: 4453200 CPU: 14388.5, 0.00313222/step Wall: 14388.5, 0.00313222/step, 0.47575 hours remaining, 235.285156 MB of memory in use. ENERGY: 4453200 4027.9284 20365.1967 14456.7501 262.6067 -203395.4780 2662.0530 0.0000 0.0000 52063.7773 -109557.1657 299.2112 -161620.9431 -109187.9391 299.1481 -98.7442 -74.0943 762327.3126 17.7164 17.5912 PRESSURE: 4453400 -250.206 -170.984 2.16062 -170.984 -56.2922 93.0176 2.16031 93.0178 61.0419 GPRESSURE: 4453400 -232.525 -45.1703 -17.9434 -74.4137 -43.0345 128.31 53.3157 -6.02745 101.474 PRESSAVG: 4453400 -39.7024 -17.8448 77.3146 -17.8449 19.2095 -43.0193 77.3147 -43.0192 -20.919 GPRESSAVG: 4453400 -40.177 -19.7206 77.5216 -18.1041 18.4172 -43.0003 79.0852 -43.7725 -19.9778 TIMING: 4453400 CPU: 14389.1, 0.00313925/step Wall: 14389.1, 0.00313925/step, 0.476643 hours remaining, 235.285156 MB of memory in use. ENERGY: 4453400 4030.2202 20308.3663 14387.8645 248.5033 -203269.7305 2585.4260 0.0000 0.0000 52134.1733 -109575.1769 299.6158 -161709.3502 -109212.0093 299.0140 -81.8188 -58.0286 761270.8996 -13.8040 -13.9125 PRESSURE: 4453600 -177.083 -77.5069 8.6369 -77.5066 -175.561 225.896 8.63715 225.896 -381.033 GPRESSURE: 4453600 -154.12 -102.577 15.1145 -114.673 -153.093 180.906 49.571 205.043 -325.325 PRESSAVG: 4453600 23.125 10.3608 -26.13 10.3609 27.8951 -38.599 -26.1301 -38.5991 19.592 GPRESSAVG: 4453600 23.1735 11.3105 -26.6444 10.1768 28.8188 -38.7699 -26.7297 -40.1939 18.6881 TIMING: 4453600 CPU: 14389.8, 0.00311944/step Wall: 14389.8, 0.00311944/step, 0.473462 hours remaining, 235.285156 MB of memory in use. ENERGY: 4453600 3911.7833 20401.3853 14454.3201 257.5537 -203060.4175 2541.0075 0.0000 0.0000 51906.1365 -109588.2309 298.3053 -161494.3675 -109218.2514 298.9697 -244.5591 -210.8461 762732.1380 23.5374 23.5601 PRESSURE: 4453800 -76.7813 -20.4133 -27.1623 -20.4133 -260.36 -112.617 -27.1625 -112.616 -180.667 GPRESSURE: 4453800 -87.8022 -3.06872 -100.222 79.3183 -132.447 -157.05 -184.325 -0.632074 -213.984 PRESSAVG: 4453800 73.2743 -12.7813 -57.4387 -12.7812 -68.8493 21.615 -57.4387 21.615 -18.6824 GPRESSAVG: 4453800 72.5081 -13.4302 -57.0775 -11.5163 -68.3937 20.3211 -58.4647 23.2063 -18.4844 TIMING: 4453800 CPU: 14390.4, 0.00314257/step Wall: 14390.4, 0.00314257/step, 0.476797 hours remaining, 235.285156 MB of memory in use. ENERGY: 4453800 4012.8988 20517.2978 14510.5141 250.3585 -203579.4258 2588.4667 0.0000 0.0000 52000.3174 -109699.5725 298.8465 -161699.8899 -109339.5913 298.7743 -172.6028 -144.7447 761368.8720 -4.7525 -4.7900 PRESSURE: 4454000 29.1401 -98.8814 53.8599 -98.8812 -0.262097 -124.526 53.86 -124.525 -425.889 GPRESSURE: 4454000 127.715 -155.888 -27.5622 -119.633 -35.4837 -71.6235 11.2226 -161.937 -415.015 PRESSAVG: 4454000 5.02055 -17.5335 -33.2515 -17.5335 -43.4783 16.4522 -33.2515 16.4522 -2.58857 GPRESSAVG: 4454000 7.3163 -17.5355 -33.5911 -15.5349 -46.2114 16.6127 -32.7617 15.0737 -2.28626 TIMING: 4454000 CPU: 14391, 0.00315648/step Wall: 14391, 0.00315648/step, 0.478732 hours remaining, 235.285156 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: 4454000 4012.5865 20431.4251 14540.9692 234.1665 -203518.0181 2397.2838 0.0000 0.0000 52253.8687 -109647.7183 300.3037 -161901.5870 -109279.0170 298.1781 -132.3371 -107.5946 759825.5341 -13.6821 -13.7271 PRESSURE: 4454200 -37.3006 -69.902 193.551 -69.9023 -217.221 156.149 193.551 156.148 -39.5818 GPRESSURE: 4454200 -62.2586 -24.2926 168.557 -74.1436 -162.369 204.144 253.817 259.855 23.3509 PRESSAVG: 4454200 19.1927 -66.8677 -7.18067 -66.8676 13.5089 8.13489 -7.18065 8.13493 -4.16143 GPRESSAVG: 4454200 17.3859 -66.246 -6.36198 -69.2015 15.1109 9.69676 -8.50572 9.31464 -3.94526 TIMING: 4454200 CPU: 14391.6, 0.00314188/step Wall: 14391.6, 0.00314188/step, 0.476344 hours remaining, 235.285156 MB of memory in use. ENERGY: 4454200 4030.3065 20556.3348 14500.0639 236.5948 -202983.8882 2366.8065 0.0000 0.0000 51898.3531 -109395.4286 298.2605 -161293.7818 -109032.9626 299.5794 -98.0344 -67.0923 760198.3207 9.5134 9.5172 PRESSURE: 4454400 -10.2635 -100.579 115.153 -100.579 -118.007 20.3953 115.153 20.3952 -44.2193 GPRESSURE: 4454400 112.727 -135.485 68.5938 -53.6228 -104.084 42.634 327.612 -126.84 -95.8561 PRESSAVG: 4454400 14.7117 -54.137 1.10738 -54.137 -32.3448 12.1655 1.10735 12.1655 -7.16136 GPRESSAVG: 4454400 15.7011 -53.4062 -0.82459 -53.4924 -31.2258 10.2687 5.2785 13.9313 -9.33344 TIMING: 4454400 CPU: 14392.3, 0.00312312/step Wall: 14392.3, 0.00312312/step, 0.473326 hours remaining, 235.285156 MB of memory in use. ENERGY: 4454400 3919.7653 20473.6477 14503.7226 238.4258 -203068.8190 2302.8833 0.0000 0.0000 52229.4005 -109400.9738 300.1631 -161630.3743 -109044.7359 300.1904 -57.4967 -29.0712 759736.4258 -8.2648 -8.2860 PRESSURE: 4454600 82.2183 25.1089 -355.557 25.1091 220.632 373.637 -355.557 373.635 -414.017 GPRESSURE: 4454600 115.409 -94.4327 -324.502 -27.2523 268.262 379.255 -275.721 268.074 -423.772 PRESSAVG: 4454600 -8.31077 53.5905 13.0797 53.5904 4.08775 3.24822 13.0797 3.24825 8.02141 GPRESSAVG: 4454600 -7.89803 51.9407 14.6179 54.3061 2.78687 5.98847 8.13243 1.90158 8.50779 TIMING: 4454600 CPU: 14392.9, 0.00314955/step Wall: 14392.9, 0.00314955/step, 0.477156 hours remaining, 235.285156 MB of memory in use. ENERGY: 4454600 3937.1792 20621.5181 14420.5272 247.3644 -203331.3531 2552.9708 0.0000 0.0000 52177.9556 -109373.8378 299.8674 -161551.7934 -109013.9961 299.4418 -37.0554 -13.3670 761061.4583 1.2661 1.1322 PRESSURE: 4454800 -201.212 -144.981 99.3947 -144.982 53.4393 107.233 99.3938 107.233 572.505 GPRESSURE: 4454800 -169.522 -53.7731 113.121 -98.051 90.8642 65.9824 160.497 117.224 583.035 PRESSAVG: 4454800 84.4781 -56.6389 -14.6887 -56.6389 -65.5398 32.5142 -14.6888 32.5142 2.76602 GPRESSAVG: 4454800 82.9568 -56.1962 -15.8196 -56.5613 -65.7826 29.9568 -11.5848 33.1218 4.28143 TIMING: 4454800 CPU: 14393.5, 0.0031627/step Wall: 14393.5, 0.0031627/step, 0.478973 hours remaining, 235.285156 MB of memory in use. ENERGY: 4454800 3952.9710 20562.9841 14504.8364 228.0488 -203627.5241 2734.8620 0.0000 0.0000 52148.9392 -109494.8825 299.7007 -161643.8217 -109126.2741 299.5550 141.5773 168.1256 761022.9333 7.2348 7.1518 PRESSURE: 4455000 -84.4548 237.663 124.37 237.663 -353.432 -106.779 124.37 -106.779 -128.13 GPRESSURE: 4455000 -200.373 247.547 69.7823 211.479 -225.911 0.154073 164.375 -76.4534 -53.0059 PRESSAVG: 4455000 32.9457 -24.6435 -10.2703 -24.6435 -48.5638 54.444 -10.2703 54.4441 37.5627 GPRESSAVG: 4455000 33.215 -24.7067 -11.386 -24.4472 -47.9389 54.5289 -10.6716 53.584 36.664 TIMING: 4455000 CPU: 14394.2, 0.00316409/step Wall: 14394.2, 0.00316409/step, 0.479008 hours remaining, 235.285156 MB of memory in use. ENERGY: 4455000 4033.0179 20483.2444 14485.8427 246.0143 -202996.1899 2217.6583 0.0000 0.0000 51787.6172 -109742.7950 297.6241 -161530.4122 -109382.2618 299.3396 -188.6725 -159.7633 761739.8134 7.3149 7.3134 PRESSURE: 4455200 157.661 -66.2661 -114.234 -66.2673 81.0602 -64.0127 -114.235 -64.0127 253.403 GPRESSURE: 4455200 296.062 -147.691 -102.117 15.1033 64.2831 1.22672 -86.7286 -16.8636 227.662 PRESSAVG: 4455200 32.9782 -23.0471 -15.3429 -23.0471 -1.22966 11.92 -15.3429 11.9199 -0.18577 GPRESSAVG: 4455200 32.71 -22.6328 -12.7696 -24.7085 -0.50676 12.6404 -14.4803 12.55 -0.801171 TIMING: 4455200 CPU: 14394.8, 0.00314892/step Wall: 14394.8, 0.00314892/step, 0.476537 hours remaining, 235.285156 MB of memory in use. ENERGY: 4455200 3946.6381 20492.9401 14481.4033 236.9157 -203438.3522 2650.3710 0.0000 0.0000 52125.1162 -109504.9678 299.5638 -161630.0840 -109148.4970 298.9858 164.0412 196.0022 758887.4138 10.5209 10.4674 PRESSURE: 4455400 33.9762 -40.2141 -28.3964 -40.2135 51.6284 -5.15961 -28.3963 -5.15956 -102.539 GPRESSURE: 4455400 43.0417 -10.8694 -41.1376 -80.3361 76.1915 -17.2579 -1.81966 -9.17354 -45.2586 PRESSAVG: 4455400 4.77791 -8.47823 28.5499 -8.47815 23.3231 25.3632 28.55 25.3632 2.03939 GPRESSAVG: 4455400 5.08189 -7.11348 27.563 -8.47156 22.2337 27.0441 27.5484 24.5706 2.88345 TIMING: 4455400 CPU: 14395.4, 0.00313115/step Wall: 14395.4, 0.00313115/step, 0.473673 hours remaining, 235.285156 MB of memory in use. ENERGY: 4455400 4036.5265 20455.7913 14491.2236 250.6116 -203209.7469 2480.4101 0.0000 0.0000 52009.6817 -109485.5021 298.9004 -161495.1838 -109113.3647 299.4074 -5.6447 24.6582 760481.5007 10.0468 10.0664 PRESSURE: 4455600 60.4828 -4.22401 -135.767 -4.22339 -181.076 -29.0641 -135.766 -29.0647 330.22 GPRESSURE: 4455600 70.8565 21.2387 -133.038 -62.0139 -83.1667 -100.368 -22.2635 -62.7501 282.772 PRESSAVG: 4455600 -57.2298 -58.9426 -20.0377 -58.9426 38.9679 -35.1492 -20.0377 -35.1491 3.80077 GPRESSAVG: 4455600 -56.3527 -60.4614 -19.8501 -58.2422 38.6804 -39.0311 -18.9913 -34.6352 3.06064 TIMING: 4455600 CPU: 14396.1, 0.00313179/step Wall: 14396.1, 0.00313179/step, 0.473596 hours remaining, 235.285156 MB of memory in use. ENERGY: 4455600 3994.5069 20723.9891 14490.3852 235.8588 -202730.7946 2262.7329 0.0000 0.0000 51784.2947 -109239.0270 297.6051 -161023.3216 -108886.8480 299.1163 69.8755 90.1541 761648.9522 -4.8204 -4.8706 PRESSURE: 4455800 87.361 170.97 3.90871 170.97 -115.544 -210.19 3.90816 -210.19 102.245 GPRESSURE: 4455800 60.9878 202.29 -70.9221 33.3981 -42.3443 -203.269 62.9548 -152.836 138.782 PRESSAVG: 4455800 22.3507 -33.429 25.4246 -33.4291 20.7052 0.577681 25.4246 0.577579 30.53 GPRESSAVG: 4455800 22.4862 -32.6236 24.2364 -33.9501 21.6797 2.74923 27.0136 -1.77888 29.6655 TIMING: 4455800 CPU: 14396.7, 0.00315744/step Wall: 14396.7, 0.00315744/step, 0.477299 hours remaining, 235.285156 MB of memory in use. ENERGY: 4455800 3928.0991 20388.8194 14413.7973 239.2181 -203104.2870 2469.3722 0.0000 0.0000 52273.6910 -109391.2899 300.4176 -161664.9809 -109021.6342 299.3191 24.6871 52.4753 761391.6707 24.5287 24.6105 PRESSURE: 4456000 -370.815 -64.6244 -4.93265 -64.624 -134.614 188.873 -4.93302 188.874 57.2427 GPRESSURE: 4456000 -282.025 21.9429 69.3401 -114.535 -122.503 155.029 -71.914 39.2191 39.5366 PRESSAVG: 4456000 -3.77224 -2.96519 27.5231 -2.96522 0.662548 18.791 27.5231 18.7911 -18.2705 GPRESSAVG: 4456000 -4.87882 -2.15317 30.6028 -4.48219 0.796684 18.2569 25.47 19.9929 -16.9755 TIMING: 4456000 CPU: 14397.3, 0.00315688/step Wall: 14397.3, 0.00315688/step, 0.47704 hours remaining, 235.285156 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: 4456000 3969.9888 20282.9669 14480.9262 254.0654 -203424.2824 2773.8477 0.0000 0.0000 52377.7935 -109284.6939 301.0159 -161662.4874 -108908.9546 299.5377 -149.3954 -121.6636 761786.0196 -7.1267 -7.0192 PRESSURE: 4456200 436.918 150.894 -213.422 150.894 115.893 -3.36213 -213.423 -3.36321 -86.1384 GPRESSURE: 4456200 428.83 135.454 -249.46 164.173 154.227 36.3964 -237.036 54.9988 -28.2943 PRESSAVG: 4456200 21.7549 -21.6636 -10.6852 -21.6636 -36.3404 19.4678 -10.6851 19.4678 5.68533 GPRESSAVG: 4456200 22.7364 -21.8258 -11.7549 -19.2826 -36.9195 19.3536 -11.121 21.7136 5.45081 TIMING: 4456200 CPU: 14397.9, 0.00316378/step Wall: 14397.9, 0.00316378/step, 0.477907 hours remaining, 235.285156 MB of memory in use. ENERGY: 4456200 3964.1018 20498.2513 14466.1337 235.8490 -203094.6992 2766.5256 0.0000 0.0000 51982.6886 -109181.1491 298.7452 -161163.8377 -108824.3255 299.9580 155.5575 184.9209 762428.7335 -2.9667 -2.9107 LDB: ============= START OF LOAD BALANCING ============== 14410.4 LDB: ============== END OF LOAD BALANCING =============== 14410.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14410.4 LDB: ============= START OF LOAD BALANCING ============== 14410.7 LDB: Largest compute 7056 load 0.033090 is 16.9% of average load 0.195584 LDB: Average compute 0.004393 is 2.2% of average load 0.195584 LDB: TIME 14410.7 LOAD: AVG 0.195584 MAX 0.21415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.602 MB LDB: TIME 14410.7 LOAD: AVG 0.195584 MAX 0.21415 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 14410.7 LOAD: AVG 0.195584 MAX 0.21415 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: ============== END OF LOAD BALANCING =============== 14410.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14410.7 PRESSURE: 4456400 36.2651 -152.673 -94.8808 -152.673 29.3266 -6.82367 -94.8815 -6.82402 69.8756 GPRESSURE: 4456400 102.946 -192.073 -111.914 -16.7654 70.0766 -89.0979 -18.6579 -60.3347 63.2569 PRESSAVG: 4456400 3.07953 4.93788 -43.7681 4.93794 -35.0184 41.5089 -43.7681 41.509 -6.98424 GPRESSAVG: 4456400 3.06572 4.51338 -45.6741 2.92688 -33.9921 42.2795 -43.6466 39.5546 -7.86373 TIMING: 4456400 CPU: 14398.6, 0.00323213/step Wall: 14398.6, 0.00323213/step, 0.488052 hours remaining, 235.394531 MB of memory in use. ENERGY: 4456400 3963.4087 20744.4898 14474.8225 247.3423 -203760.7487 2731.0976 0.0000 0.0000 52270.4661 -109329.1217 300.3991 -161599.5878 -108964.0373 299.6393 45.1558 78.7598 760980.8201 -12.9744 -12.9300 PRESSURE: 4456600 297.175 -4.57858 -42.8128 -4.57843 15.2905 89.0448 -42.8133 89.0449 105.6 GPRESSURE: 4456600 281.887 -15.009 25.5473 20.7564 69.9106 40.9088 44.1778 4.61613 152.734 PRESSAVG: 4456600 23.8586 -44.6445 -6.3724 -44.6445 -14.1636 11.6517 -6.37238 11.6517 2.98047 GPRESSAVG: 4456600 23.8184 -45.1504 -5.16003 -43.4372 -14.933 9.18924 -3.89058 13.3288 2.87481 TIMING: 4456600 CPU: 14399.2, 0.00313707/step Wall: 14399.2, 0.00313707/step, 0.473523 hours remaining, 235.777344 MB of memory in use. ENERGY: 4456600 3951.3761 20535.7363 14445.9877 254.9973 -203539.2472 2914.7219 0.0000 0.0000 52113.3977 -109323.0302 299.4964 -161436.4279 -108954.3325 299.4069 139.3554 168.1773 762496.0553 4.2251 3.9201 PRESSURE: 4456800 359.173 104.567 33.1174 104.567 50.0516 171.791 33.1175 171.791 -50.8604 GPRESSURE: 4456800 393.261 147.608 -32.7665 95.8337 55.3501 138.225 -39.1168 91.8158 -20.8106 PRESSAVG: 4456800 34.7784 3.97592 39.1515 3.97597 -34.437 2.78533 39.1515 2.78534 10.1777 GPRESSAVG: 4456800 34.6653 3.97693 37.8272 3.64284 -35.2652 5.06431 37.7123 1.80055 11.1033 TIMING: 4456800 CPU: 14399.9, 0.00315216/step Wall: 14399.9, 0.00315217/step, 0.475627 hours remaining, 235.777344 MB of memory in use. ENERGY: 4456800 3981.4315 20653.8842 14449.1259 260.5715 -203101.7689 2747.6413 0.0000 0.0000 51831.7251 -109177.3893 297.8776 -161009.1144 -108822.9838 299.3211 119.4547 142.6003 762105.5517 3.5064 3.5011 PRESSURE: 4457000 21.2632 -139.611 176.969 -139.612 -214.707 139.566 176.969 139.565 19.5717 GPRESSURE: 4457000 66.354 -148.656 180.756 -15.7481 -132.417 146.825 199.662 179.292 -34.0809 PRESSAVG: 4457000 59.9329 -16.1322 0.569523 -16.1322 -43.5325 1.14335 0.569463 1.14334 -0.86445 GPRESSAVG: 4457000 58.7385 -17.5498 3.37142 -15.0456 -41.9921 1.42863 -0.520541 0.766384 -1.69192 TIMING: 4457000 CPU: 14400.5, 0.00314225/step Wall: 14400.5, 0.00314225/step, 0.473955 hours remaining, 235.777344 MB of memory in use. ENERGY: 4457000 3996.7821 20459.2028 14460.6369 242.8602 -202756.4357 2246.8675 0.0000 0.0000 52017.1068 -109332.9794 298.9430 -161350.0863 -108958.6792 299.4574 -57.9574 -33.3814 763146.6929 5.1786 5.0182 PRESSURE: 4457200 235.133 120.15 120.106 120.151 -297.687 -46.8837 120.106 -46.8834 344.697 GPRESSURE: 4457200 370.741 148.806 120.694 78.7959 -344.643 -47.6873 133.716 22.9152 342.719 PRESSAVG: 4457200 40.4062 -45.7107 -32.6721 -45.7106 -49.7142 -0.479128 -32.6722 -0.479117 -20.7663 GPRESSAVG: 4457200 40.6046 -43.7104 -33.1101 -47.082 -50.5815 -1.92559 -32.4548 1.76319 -19.7663 TIMING: 4457200 CPU: 14401.1, 0.00315115/step Wall: 14401.1, 0.00315115/step, 0.475124 hours remaining, 235.777344 MB of memory in use. ENERGY: 4457200 4035.0920 20465.4115 14400.9329 228.9301 -203150.5306 2566.3909 0.0000 0.0000 52125.7317 -109328.0415 299.5673 -161453.7732 -108961.3778 299.3717 94.0476 122.9392 762805.8760 -10.0248 -9.9144 PRESSURE: 4457400 -63.5469 14.0859 -90.7432 14.0855 357.291 -226.08 -90.7425 -226.079 304.841 GPRESSURE: 4457400 26.3376 -154.263 -104.273 90.4743 338.187 -198.728 -38.2434 -189.084 332.032 PRESSAVG: 4457400 39.7566 -18.825 -44.1687 -18.825 -42.4122 -53.461 -44.1688 -53.4611 12.0349 GPRESSAVG: 4457400 40.9728 -20.4254 -44.2127 -17.1848 -42.6413 -52.2543 -43.429 -53.6546 11.2027 TIMING: 4457400 CPU: 14401.7, 0.00313648/step Wall: 14401.7, 0.00313648/step, 0.472737 hours remaining, 235.847656 MB of memory in use. ENERGY: 4457400 3958.1309 20494.8967 14474.2550 232.1476 -202854.1466 2358.3679 0.0000 0.0000 52195.9338 -109140.4148 299.9707 -161336.3485 -108779.2070 299.7278 199.5284 232.1855 760949.8574 3.1264 3.1781 PRESSURE: 4457600 28.0467 18.0413 -131.327 18.042 -210.641 -91.729 -131.328 -91.7294 -139.227 GPRESSURE: 4457600 124.291 -18.0072 -116.875 35.6895 -126.244 -71.5417 23.1653 -85.5824 -200.592 PRESSAVG: 4457600 -0.690281 -5.33518 -27.7207 -5.3351 0.189722 -63.1939 -27.7207 -63.1939 1.10571 GPRESSAVG: 4457600 -2.86248 -6.50719 -28.772 -3.19217 0.997352 -64.0036 -27.3269 -63.9244 2.71539 TIMING: 4457600 CPU: 14402.4, 0.00314295/step Wall: 14402.4, 0.00314295/step, 0.473538 hours remaining, 235.847656 MB of memory in use. ENERGY: 4457600 4081.5246 20292.7390 14456.0970 248.6859 -202734.3579 2263.3717 0.0000 0.0000 52034.8559 -109357.0838 299.0450 -161391.9397 -108998.4602 299.0382 -107.2737 -67.5148 761566.3300 0.2017 0.2834 PRESSURE: 4457800 8.11588 -174.198 13.1779 -174.198 -232.254 102.993 13.1778 102.994 -83.7908 GPRESSURE: 4457800 -81.6448 -177.033 30.2775 -116.462 -83.5841 153.244 36.5324 11.0436 -58.7789 PRESSAVG: 4457800 7.06771 -60.2941 -38.013 -60.294 -26.2265 4.74063 -38.013 4.74061 19.7517 GPRESSAVG: 4457800 8.17984 -59.6523 -36.7735 -63.2471 -26.1877 6.72694 -36.7197 3.98728 18.8222 TIMING: 4457800 CPU: 14403, 0.00314245/step Wall: 14403, 0.00314245/step, 0.473287 hours remaining, 235.847656 MB of memory in use. ENERGY: 4457800 4016.3160 20423.8907 14387.5870 252.2635 -202942.9989 2510.5214 0.0000 0.0000 51998.9862 -109353.4340 298.8389 -161352.4202 -108996.7083 298.7812 -102.6428 -74.6693 761401.8641 0.1976 0.2714 PRESSURE: 4458000 -186.976 17.1743 192.538 17.1738 -71.8146 84.7507 192.538 84.7509 -137.793 GPRESSURE: 4458000 -203.261 -27.5475 209.498 2.98744 24.0338 -38.1296 116.268 167.04 -137.572 PRESSAVG: 4458000 -8.15208 38.4613 42.7192 38.4613 57.1346 -26.7427 42.7192 -26.7426 2.37594 GPRESSAVG: 4458000 -8.76408 39.5474 41.1736 40.5 56.8615 -26.5995 41.4271 -26.6125 3.33879 TIMING: 4458000 CPU: 14403.6, 0.00313362/step Wall: 14403.6, 0.00313362/step, 0.471784 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4458000 3959.1325 20283.4212 14450.6249 228.4159 -202743.4870 2131.2566 0.0000 0.0000 52000.2661 -109690.3697 298.8462 -161690.6358 -109316.2944 298.7118 -132.1944 -105.5997 760971.7408 17.1195 17.1454 PRESSURE: 4458200 -235.628 70.3155 168.039 70.3157 -195.633 18.2135 168.037 18.2136 151.93 GPRESSURE: 4458200 -224.423 40.9115 199.163 -92.5294 -240.183 64.2225 127.218 -45.7835 255.738 PRESSAVG: 4458200 -53.7029 33.2711 13.0931 33.2712 27.9953 51.2286 13.093 51.2285 -0.523348 GPRESSAVG: 4458200 -52.8731 33.5801 14.1039 30.0637 27.5141 50.2601 14.0061 52.3163 -0.936204 TIMING: 4458200 CPU: 14404.2, 0.00314006/step Wall: 14404.2, 0.00314006/step, 0.47258 hours remaining, 235.847656 MB of memory in use. ENERGY: 4458200 3934.4742 20322.5426 14408.7633 231.9590 -203034.8620 2544.6111 0.0000 0.0000 52044.4371 -109548.0746 299.1001 -161592.5117 -109177.5838 298.8303 -93.1106 -69.6225 761992.3973 -8.7436 -8.7651 PRESSURE: 4458400 -176.881 6.61086 -90.9817 6.61082 -34.3326 -155.308 -90.9823 -155.307 -394.203 GPRESSURE: 4458400 -93.6064 -118.636 -8.27101 -12.9032 -1.83104 -284.778 -100.74 -161.45 -419.512 PRESSAVG: 4458400 24.4853 20.7975 0.815934 20.7975 -15.5141 6.15008 0.815981 6.15007 -32.8681 GPRESSAVG: 4458400 24.4206 20.9463 1.1223 22.353 -14.6279 4.91009 -0.243609 7.55656 -33.1979 TIMING: 4458400 CPU: 14404.9, 0.00311844/step Wall: 14404.9, 0.00311844/step, 0.469152 hours remaining, 235.847656 MB of memory in use. ENERGY: 4458400 3974.3491 20507.2305 14464.1410 253.8458 -203275.2721 2439.1536 0.0000 0.0000 51748.6843 -109887.8679 297.4004 -161636.5522 -109535.1268 298.5457 -201.8055 -171.6499 760128.6130 -7.9656 -7.8017 PRESSURE: 4458600 95.1565 151.911 -29.6071 151.911 163.46 65.3457 -29.6068 65.3447 39.3108 GPRESSURE: 4458600 51.0228 147.72 -107.975 278.821 222.157 36.8869 77.7498 -21.1545 119.593 PRESSAVG: 4458600 3.24943 70.1537 -18.0823 70.1536 -21.0705 -1.02135 -18.0824 -1.02136 -0.427919 GPRESSAVG: 4458600 2.66147 71.7132 -17.83 68.5505 -21.4446 2.15817 -20.4245 -2.24818 0.760809 TIMING: 4458600 CPU: 14405.5, 0.00311675/step Wall: 14405.5, 0.00311675/step, 0.468724 hours remaining, 235.859375 MB of memory in use. ENERGY: 4458600 3910.7639 20454.9134 14420.8085 240.0530 -203526.7979 2724.2399 0.0000 0.0000 51891.2791 -109884.7402 298.2199 -161776.0193 -109526.5665 298.4527 99.3091 130.9241 760545.3651 -6.0830 -6.0075 PRESSURE: 4458800 313.355 -23.3816 -84.9686 -23.3817 101.923 -34.9 -84.9689 -34.9003 162.313 GPRESSURE: 4458800 213.99 -7.67991 -90.8215 -41.5772 245.115 -3.16135 -4.73509 -20.855 191.103 PRESSAVG: 4458800 -53.5902 35.3706 13.573 35.3706 45.5908 -9.10521 13.573 -9.10519 -0.996478 GPRESSAVG: 4458800 -53.4163 30.8326 14.2723 38.2765 46.587 -10.7822 13.6981 -7.76212 -2.3202 TIMING: 4458800 CPU: 14406.1, 0.00311147/step Wall: 14406.1, 0.00311147/step, 0.467757 hours remaining, 235.859375 MB of memory in use. ENERGY: 4458800 3935.0213 20449.1953 14451.7721 254.2475 -203678.8108 2675.9742 0.0000 0.0000 52168.7928 -109743.8075 299.8148 -161912.6003 -109387.1024 298.7362 192.5304 216.7360 758951.0645 -2.9986 -3.0498 PRESSURE: 4459000 231.446 184.994 46.138 184.994 67.1306 104.982 46.1378 104.982 -156.039 GPRESSURE: 4459000 177.688 254.903 -43.3273 192.342 187.213 104.457 8.57297 36.8008 -122.252 PRESSAVG: 4459000 25.0829 -1.94937 -32.6127 -1.94936 -12.8718 38.5801 -32.6126 38.5801 15.7679 GPRESSAVG: 4459000 23.7474 1.13998 -33.2037 -3.46544 -13.8791 38.3399 -31.7001 39.379 17.9271 TIMING: 4459000 CPU: 14406.7, 0.00313604/step Wall: 14406.7, 0.00313604/step, 0.471277 hours remaining, 235.859375 MB of memory in use. ENERGY: 4459000 3955.1067 20366.9604 14431.9118 256.2614 -203142.9281 2338.2097 0.0000 0.0000 51955.9932 -109838.4849 298.5918 -161794.4781 -109462.5605 298.6161 47.5125 80.8828 760963.5249 9.3264 9.2651 PRESSURE: 4459200 -202.972 17.9632 26.3136 17.9631 92.3231 197.287 26.3144 197.286 17.9567 GPRESSURE: 4459200 -90.2251 31.9429 -46.2836 37.7119 50.9497 158.378 -70.1244 299.744 19.007 PRESSAVG: 4459200 -29.1438 3.40551 -32.835 3.40553 -6.47945 18.883 -32.835 18.883 -11.1005 GPRESSAVG: 4459200 -28.2657 2.08662 -32.8482 2.77761 -6.45391 19.1427 -31.7244 16.6992 -12.3073 TIMING: 4459200 CPU: 14407.4, 0.00313757/step Wall: 14407.4, 0.00313757/step, 0.471333 hours remaining, 235.859375 MB of memory in use. ENERGY: 4459200 3957.4144 20509.7400 14428.5370 242.7437 -203290.6894 2434.1447 0.0000 0.0000 51999.0018 -109719.1079 298.8390 -161718.1096 -109354.9572 298.3343 -30.8974 -6.7561 760848.8502 -15.5746 -15.6757 PRESSURE: 4459400 -120.558 -467.842 146.154 -467.843 156.199 1.80638 146.155 1.80615 184.498 GPRESSURE: 4459400 -80.5211 -389.621 146.57 -337.45 209.463 -44.9954 128.128 185.286 195.818 PRESSAVG: 4459400 35.6399 -29.9332 -32.2811 -29.9333 -31.5337 -2.60434 -32.281 -2.60429 9.57874 GPRESSAVG: 4459400 36.3072 -29.7835 -34.4005 -27.0022 -30.4111 -2.08003 -32.8564 -2.5549 8.25121 TIMING: 4459400 CPU: 14408, 0.00312426/step Wall: 14408, 0.00312426/step, 0.469159 hours remaining, 235.859375 MB of memory in use. ENERGY: 4459400 3975.5106 20529.0731 14483.0586 236.0828 -203635.8680 2828.6164 0.0000 0.0000 51978.3921 -109605.1345 298.7205 -161583.5266 -109254.5785 299.0713 73.3795 108.2532 759657.7482 4.5616 4.7158 PRESSURE: 4459600 -88.771 -170.872 -74.413 -170.872 -148.083 117.729 -74.4126 117.729 50.0449 GPRESSURE: 4459600 -117.073 -139.284 -188.062 -113.85 -137.169 -23.067 71.6514 92.0324 142.885 PRESSAVG: 4459600 19.0402 -16.2512 -21.3033 -16.2512 -23.7194 11.2275 -21.3032 11.2275 -13.4997 GPRESSAVG: 4459600 19.1913 -15.9866 -20.7465 -18.7039 -24.4696 9.71966 -21.0538 13.2334 -12.712 TIMING: 4459600 CPU: 14408.6, 0.00312137/step Wall: 14408.6, 0.00312137/step, 0.468553 hours remaining, 235.859375 MB of memory in use. ENERGY: 4459600 3993.6263 20680.5867 14469.1577 254.0914 -203457.0921 2479.4705 0.0000 0.0000 52028.0393 -109552.1201 299.0059 -161580.1594 -109204.6906 299.0782 -62.2695 -37.1193 760273.9915 -6.0596 -5.9968 PRESSURE: 4459800 -322.069 -82.9816 -2.73226 -82.9813 -341.021 -200.012 -2.73266 -200.013 -181.153 GPRESSURE: 4459800 -372.755 -33.7478 23.7544 -95.4041 -225.483 -120.529 -49.24 -167.384 -157.099 PRESSAVG: 4459800 5.49722 -32.136 -4.98188 -32.136 -6.75216 8.21668 -4.98185 8.2167 -16.709 GPRESSAVG: 4459800 5.19288 -32.6433 -3.43625 -29.8543 -5.88581 10.541 -6.29134 5.78691 -16.8773 TIMING: 4459800 CPU: 14409.2, 0.00313072/step Wall: 14409.2, 0.00313072/step, 0.469781 hours remaining, 235.859375 MB of memory in use. ENERGY: 4459800 4009.2165 20571.2155 14446.8953 254.7613 -203106.8582 2351.3860 0.0000 0.0000 51944.6837 -109528.6999 298.5268 -161473.3836 -109166.5266 298.9932 -281.4144 -251.7790 761354.2986 -5.9880 -5.8567 PRESSURE: 4460000 242.879 81.327 -365.783 81.3279 -134.45 307.571 -365.783 307.57 -108.881 GPRESSURE: 4460000 213.125 -62.603 -359.648 68.129 50.4443 292.324 -322.879 334.69 -167.513 PRESSAVG: 4460000 -9.65537 1.10285 -11.4949 1.1029 -23.0775 19.676 -11.4949 19.6761 8.03512 GPRESSAVG: 4460000 -8.57127 0.885605 -13.1582 -2.20322 -24.519 18.487 -11.5596 20.0135 8.38234 TIMING: 4460000 CPU: 14409.9, 0.00311959/step Wall: 14409.9, 0.00311959/step, 0.467939 hours remaining, 235.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4460000 4009.7123 20562.8390 14436.7255 252.5594 -203682.4409 2637.1412 0.0000 0.0000 52189.0069 -109594.4566 299.9309 -161783.4635 -109232.7287 299.4175 -0.1506 32.0187 758809.7601 -8.2326 -8.2360 PRESSURE: 4460200 -181.121 -156.482 -23.4304 -156.482 -204.477 175.476 -23.4314 175.476 126.795 GPRESSURE: 4460200 -119.988 -74.2713 -31.6075 -151.435 -170.51 176.408 -18.8986 261.24 125.021 PRESSAVG: 4460200 10.155 -53.8225 -38.4669 -53.8224 22.2162 -2.78639 -38.4669 -2.78647 17.1665 GPRESSAVG: 4460200 9.49943 -53.5688 -37.3817 -52.2364 23.033 -3.24284 -36.6232 -3.08394 17.2788 TIMING: 4460200 CPU: 14410.5, 0.00313009/step Wall: 14410.5, 0.00313009/step, 0.46934 hours remaining, 235.859375 MB of memory in use. ENERGY: 4460200 3993.9468 20497.5678 14355.9273 249.2192 -203116.6340 2260.7734 0.0000 0.0000 52007.6141 -109751.5854 298.8885 -161759.1995 -109389.5673 299.3108 -86.2677 -55.1590 761353.5601 16.5126 16.6037 LDB: ============= START OF LOAD BALANCING ============== 14422.9 LDB: ============== END OF LOAD BALANCING =============== 14422.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14422.9 LDB: ============= START OF LOAD BALANCING ============== 14423.2 LDB: Largest compute 7064 load 0.031966 is 16.3% of average load 0.195557 LDB: Average compute 0.004386 is 2.2% of average load 0.195557 LDB: TIME 14423.2 LOAD: AVG 0.195557 MAX 0.212336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 14423.2 LOAD: AVG 0.195557 MAX 0.212336 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 14423.2 LOAD: AVG 0.195557 MAX 0.212336 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 14423.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14423.2 PRESSURE: 4460400 17.2492 154.507 -29.679 154.507 -351.489 -3.85021 -29.6784 -3.85017 -115.892 GPRESSURE: 4460400 -17.0618 177.774 -73.447 48.293 -279.872 -106.704 -25.3436 -35.0098 -60.2493 PRESSAVG: 4460400 27.0527 -3.13084 28.1352 -3.1308 -9.64168 49.4453 28.1352 49.4453 -20.8062 GPRESSAVG: 4460400 26.9204 -1.98554 29.6798 -3.6301 -9.34174 48.7384 26.1684 51.5102 -21.0746 TIMING: 4460400 CPU: 14411.1, 0.00321308/step Wall: 14411.1, 0.00321308/step, 0.481605 hours remaining, 233.910156 MB of memory in use. ENERGY: 4460400 3918.1931 20591.3620 14333.4002 253.5071 -202950.5846 2209.8022 0.0000 0.0000 51975.8357 -109668.4843 298.7058 -161644.3199 -109297.9551 298.9724 -150.0438 -119.0610 760470.3398 -1.1317 -1.1653 PRESSURE: 4460600 60.1654 -78.9575 -210.719 -78.9565 89.8406 -89.3261 -210.719 -89.3277 100.297 GPRESSURE: 4460600 55.3346 -78.7521 -186.864 -37.3167 130.987 -60.9465 -144.019 -211.534 149.842 PRESSAVG: 4460600 5.17217 -28.8719 23.374 -28.8719 -16.0054 -25.3882 23.374 -25.3882 0.612517 GPRESSAVG: 4460600 4.66638 -29.7617 21.6779 -28.8309 -16.6169 -24.2804 25.6465 -27.0831 1.72436 TIMING: 4460600 CPU: 14411.8, 0.00314644/step Wall: 14411.8, 0.00314644/step, 0.471442 hours remaining, 233.910156 MB of memory in use. ENERGY: 4460600 3947.2546 20506.6317 14410.5318 242.0289 -203540.0335 2740.6533 0.0000 0.0000 52284.1867 -109408.7466 300.4779 -161692.9332 -109044.6061 298.9062 83.4345 112.0546 759508.3131 -3.4069 -3.4087 PRESSURE: 4460800 -152.729 -129.518 240.306 -129.518 -4.89931 -52.3685 240.306 -52.3691 12.4909 GPRESSURE: 4460800 -82.7853 -130.579 150.722 -10.137 -31.0892 -36.404 239.138 -107.95 36.0604 PRESSAVG: 4460800 6.93445 5.63295 0.851765 5.6329 -15.8205 -46.5645 0.851743 -46.5645 2.21593 GPRESSAVG: 4460800 9.12004 5.55315 -0.296818 7.38269 -16.7375 -47.1569 1.70842 -45.9014 0.800182 TIMING: 4460800 CPU: 14412.4, 0.00314373/step Wall: 14412.4, 0.00314373/step, 0.470861 hours remaining, 234.109375 MB of memory in use. ENERGY: 4460800 4091.2472 20377.1940 14500.6197 269.0278 -203185.7213 2536.9656 0.0000 0.0000 52140.9886 -109269.6783 299.6550 -161410.6669 -108902.9825 299.7532 -48.3791 -25.9381 762513.1401 -2.2234 -2.2724 PRESSURE: 4461000 -46.2855 -272.119 -33.4607 -272.118 3.4132 37.0187 -33.4601 37.0185 56.7988 GPRESSURE: 4461000 56.9474 -181.676 -41.4023 -284.015 11.0216 39.5967 -13.2805 18.2207 24.1229 PRESSAVG: 4461000 30.8054 29.6556 -2.77014 29.6555 -0.537986 -20.34 -2.77011 -20.3399 2.85639 GPRESSAVG: 4461000 29.5355 29.2936 -2.17595 28.1181 -0.899571 -20.4854 -5.69685 -19.1358 4.23168 TIMING: 4461000 CPU: 14413, 0.00312924/step Wall: 14413, 0.00312924/step, 0.468516 hours remaining, 234.109375 MB of memory in use. ENERGY: 4461000 3983.2364 20537.3215 14522.0085 243.6029 -202696.9024 2283.3709 0.0000 0.0000 52140.6199 -108986.7422 299.6529 -161127.3621 -108622.6379 300.1639 4.6422 30.6973 762712.8985 11.0413 10.9559 PRESSURE: 4461200 183.839 409.009 -204.578 409.008 -127.35 139.597 -204.578 139.598 152.779 GPRESSURE: 4461200 218.101 347.763 -139.61 429.49 -83.0338 198.078 -116.257 24.5103 163.924 PRESSAVG: 4461200 23.9396 11.9244 1.84141 11.9244 -51.4362 -55.9271 1.84145 -55.9271 0.115386 GPRESSAVG: 4461200 22.7418 13.8216 2.05949 12.3685 -50.4447 -56.2137 3.87683 -58.48 0.237548 TIMING: 4461200 CPU: 14413.7, 0.00314305/step Wall: 14413.7, 0.00314305/step, 0.47041 hours remaining, 234.109375 MB of memory in use. ENERGY: 4461200 3983.3529 20542.7533 14446.8373 243.9082 -203093.3238 2523.3487 0.0000 0.0000 52426.6294 -108926.4939 301.2966 -161353.1233 -108573.1709 300.1708 69.7559 99.6635 764036.5148 -9.1271 -9.1551 PRESSURE: 4461400 -328.118 -86.8227 -53.9573 -86.8228 -192.89 -137.367 -53.9575 -137.367 3.06334 GPRESSURE: 4461400 -281.984 -62.3553 -34.6105 -99.3457 -89.9553 -206.351 -102.689 -215.814 -67.8528 PRESSAVG: 4461400 17.8541 -18.4817 -8.49793 -18.4817 2.73547 -55.8543 -8.49791 -55.8542 -5.04 GPRESSAVG: 4461400 18.108 -19.5289 -8.64478 -19.196 2.59373 -55.4413 -9.49079 -55.0866 -5.04702 TIMING: 4461400 CPU: 14414.3, 0.00312661/step Wall: 14414.3, 0.00312661/step, 0.467775 hours remaining, 234.312500 MB of memory in use. ENERGY: 4461400 4023.7971 20650.2987 14486.3583 246.9293 -202684.2932 2448.6427 0.0000 0.0000 52046.7181 -108781.5490 299.1132 -160828.2671 -108419.1239 300.3787 -172.6481 -146.5974 762827.6009 5.1832 5.2182 PRESSURE: 4461600 185.979 -0.248657 327.169 -0.248605 308.245 72.1418 327.169 72.1427 355.329 GPRESSURE: 4461600 190.393 65.8467 287.276 -182.147 371.36 92.8769 506.026 155.669 373.421 PRESSAVG: 4461600 10.0085 -52.2846 -34.0962 -52.2847 3.40922 -50.5079 -34.0962 -50.508 5.60347 GPRESSAVG: 4461600 9.3926 -51.7377 -34.4324 -52.5076 3.62547 -50.8162 -32.6926 -50.2796 5.85727 TIMING: 4461600 CPU: 14414.9, 0.00314958/step Wall: 14414.9, 0.00314958/step, 0.471037 hours remaining, 234.312500 MB of memory in use. ENERGY: 4461600 3973.1367 20681.9081 14524.9539 250.9186 -203464.3830 3005.1519 0.0000 0.0000 52057.4524 -108970.8615 299.1749 -161028.3139 -108615.6451 300.5254 283.1845 311.7246 760712.9421 6.3404 6.2918 PRESSURE: 4461800 -215.162 -144.649 -177.759 -144.649 -456.322 -24.531 -177.758 -24.5306 207.566 GPRESSURE: 4461800 -147.936 -207.072 -168.333 -129.762 -509.425 -19.4215 -185.671 -39.9091 267.89 PRESSAVG: 4461800 39.6171 -24.305 -28.6747 -24.305 -22.6518 21.6989 -28.6748 21.6989 -7.7924 GPRESSAVG: 4461800 40.2219 -25.7315 -27.3468 -23.3613 -23.5885 22.7401 -29.705 20.3969 -7.92077 TIMING: 4461800 CPU: 14415.5, 0.00312774/step Wall: 14415.5, 0.00312774/step, 0.467597 hours remaining, 234.312500 MB of memory in use. ENERGY: 4461800 4015.2700 20527.7662 14472.4579 249.9311 -202786.5384 2248.1169 0.0000 0.0000 52096.2219 -109176.7744 299.3977 -161272.9963 -108825.7354 300.3086 -154.6393 -129.8238 762995.9609 3.0577 2.9042 PRESSURE: 4462000 295.94 167.573 114.059 167.573 -217.918 -1.12477 114.06 -1.12438 261.15 GPRESSURE: 4462000 255.354 78.2849 90.3922 81.1837 -32.9769 99.5877 -2.66076 -109.897 218.095 PRESSAVG: 4462000 32.4357 -48.9502 -54.5979 -48.9502 -23.9316 70.1277 -54.5978 70.1277 -9.93435 GPRESSAVG: 4462000 32.0531 -49.4686 -54.1541 -48.3076 -23.401 70.0293 -54.1833 70.0406 -9.37571 TIMING: 4462000 CPU: 14416.2, 0.00314871/step Wall: 14416.2, 0.00314871/step, 0.470557 hours remaining, 234.312500 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: 4462000 3938.9550 20580.3976 14440.9822 241.8449 -203182.4813 2514.4942 0.0000 0.0000 52223.3701 -109242.4373 300.1284 -161465.8074 -108891.0733 299.9170 113.0572 146.8243 762619.7195 -0.4767 -0.2412 PRESSURE: 4462200 262.024 249.475 -67.6518 249.475 404.309 -219.368 -67.652 -219.369 225.8 GPRESSURE: 4462200 379.04 239.798 -54.0598 134.125 379.764 -219.519 -74.4662 -242.083 226.383 PRESSAVG: 4462200 25.9556 -2.70971 2.49972 -2.70966 -9.06007 -25.2171 2.4997 -25.2171 11.9794 GPRESSAVG: 4462200 27.4073 -0.292705 1.34609 -3.59226 -9.10666 -24.2316 4.12046 -24.5918 10.7834 TIMING: 4462200 CPU: 14416.8, 0.00315185/step Wall: 14416.8, 0.00315185/step, 0.470852 hours remaining, 234.382812 MB of memory in use. ENERGY: 4462200 4006.3337 20575.4870 14458.2673 245.7145 -203316.1153 2604.1950 0.0000 0.0000 51918.0687 -109508.0490 298.3739 -161426.1177 -109152.2662 299.4537 297.3777 328.3958 760116.6155 9.6250 9.6947 PRESSURE: 4462400 -164.43 -50.7858 -155.654 -50.7862 284.697 -16.5916 -155.654 -16.5906 551.44 GPRESSURE: 4462400 -235.535 -61.3354 -155.255 49.3164 451.62 -101.619 -253.367 9.08916 519.048 PRESSAVG: 4462400 -28.896 3.68807 56.4105 3.68802 -21.8932 -29.9041 56.4104 -29.9042 15.9041 GPRESSAVG: 4462400 -30.5023 2.35044 57.8021 3.5113 -20.6856 -31.9239 56.1147 -29.1575 15.6695 TIMING: 4462400 CPU: 14417.4, 0.00313428/step Wall: 14417.4, 0.00313428/step, 0.468052 hours remaining, 234.382812 MB of memory in use. ENERGY: 4462400 4000.8394 20420.8681 14479.0585 244.9697 -203232.2524 2490.0652 0.0000 0.0000 51992.8082 -109603.6435 298.8034 -161596.4517 -109242.8398 298.7932 223.9025 245.0445 760574.3167 -11.6284 -11.8395 PRESSURE: 4462600 159.347 -6.83838 20.0951 -6.83891 -326.928 -97.0158 20.0954 -97.0155 -36.1449 GPRESSURE: 4462600 129.345 124.641 40.9964 -39.4287 -238.263 -130.355 137.914 -105.87 0.646428 PRESSAVG: 4462600 0.00937912 -38.4127 68.7552 -38.4127 -31.6634 26.175 68.7551 26.175 -7.0356 GPRESSAVG: 4462600 1.10304 -37.0997 65.9796 -38.0954 -32.4433 26.8122 69.0626 27.18 -7.02774 TIMING: 4462600 CPU: 14418, 0.00313178/step Wall: 14418, 0.00313178/step, 0.467506 hours remaining, 234.382812 MB of memory in use. ENERGY: 4462600 4036.2282 20374.7405 14533.9855 248.4186 -202958.0483 2394.6810 0.0000 0.0000 51668.7192 -109701.2752 296.9408 -161369.9944 -109359.5065 298.2143 -67.9084 -36.0904 760784.7891 -12.8965 -12.7893 PRESSURE: 4462800 -115.575 37.4047 214.4 37.4047 -20.1424 121.014 214.401 121.015 -121.821 GPRESSURE: 4462800 -42.3994 13.1365 266.241 15.3763 5.2536 209.156 273.742 138.109 -103.462 PRESSAVG: 4462800 58.1092 -36.0716 21.7151 -36.0715 -52.8486 5.57269 21.7151 5.57276 17.772 GPRESSAVG: 4462800 58.6497 -36.199 23.958 -36.5256 -53.5187 6.43768 22.1835 4.95328 18.0775 TIMING: 4462800 CPU: 14418.7, 0.00313299/step Wall: 14418.7, 0.00313299/step, 0.467512 hours remaining, 234.382812 MB of memory in use. ENERGY: 4462800 3954.8250 20441.9513 14446.3356 254.8776 -203159.1162 2388.8495 0.0000 0.0000 51861.8154 -109810.4618 298.0506 -161672.2772 -109456.6172 298.2286 -85.8460 -46.8693 761552.9638 7.6775 7.7362 PRESSURE: 4463000 -0.972462 -207.539 102.841 -207.539 216.979 88.1292 102.842 88.13 -10.6222 GPRESSURE: 4463000 128.499 -98.5795 71.0578 -228.847 128.954 70.2026 99.548 119.352 31.9017 PRESSAVG: 4463000 49.843 -48.0654 64.4301 -48.0654 -18.4799 -20.2602 64.4301 -20.2602 -12.2251 GPRESSAVG: 4463000 50.4331 -49.4867 63.3508 -46.545 -18.3967 -21.4232 63.9877 -21.3738 -12.6301 TIMING: 4463000 CPU: 14419.3, 0.00313231/step Wall: 14419.3, 0.00313231/step, 0.467236 hours remaining, 234.382812 MB of memory in use. ENERGY: 4463000 3956.6872 20440.1970 14473.0038 257.4066 -203448.2243 2489.1768 0.0000 0.0000 52055.6507 -109776.1023 299.1645 -161831.7530 -109414.3097 298.3838 68.4613 96.4517 761205.1512 6.3793 6.4688 PRESSURE: 4463200 -142.804 3.93107 -127.245 3.93169 10.8561 -62.9508 -127.245 -62.9502 -180.587 GPRESSURE: 4463200 -45.9917 54.8087 -143.05 29.3014 16.7058 -10.4425 -112.135 -63.5903 -211.55 PRESSAVG: 4463200 -1.63563 -46.023 22.2573 -46.023 -20.2665 -69.1998 22.2573 -69.1997 -17.5146 GPRESSAVG: 4463200 -0.993557 -42.8857 22.4387 -47.4835 -20.6242 -68.6979 23.2063 -69.814 -17.3219 TIMING: 4463200 CPU: 14419.9, 0.00315441/step Wall: 14419.9, 0.00315441/step, 0.470357 hours remaining, 234.382812 MB of memory in use. ENERGY: 4463200 3917.8188 20455.1634 14422.0948 237.9709 -203358.3520 2417.2238 0.0000 0.0000 52232.5894 -109675.4909 300.1814 -161908.0803 -109316.4289 298.6678 -104.1784 -80.2788 761959.4987 -13.1389 -12.9799 PRESSURE: 4463400 11.8244 -160.27 -18.5568 -160.269 -381.361 -57.5953 -18.5562 -57.5958 -187.657 GPRESSURE: 4463400 -64.3694 -182.644 -56.6051 -344.11 -224.851 -106.334 -64.2634 -2.39564 -187.215 PRESSAVG: 4463400 -18.1974 -4.89299 3.77846 -4.89299 -2.5763 -35.3459 3.7785 -35.3459 -1.00757 GPRESSAVG: 4463400 -19.5 -6.61995 2.14291 -4.92697 -2.04555 -36.3477 1.32203 -33.2917 -0.824901 TIMING: 4463400 CPU: 14420.6, 0.00315198/step Wall: 14420.6, 0.00315198/step, 0.469821 hours remaining, 234.382812 MB of memory in use. ENERGY: 4463400 3929.9006 20512.1561 14438.4165 231.0121 -203266.0309 2401.5598 0.0000 0.0000 51914.9135 -109838.0723 298.3557 -161752.9858 -109474.5756 298.3965 -185.7312 -158.8119 762644.5712 -7.2604 -7.4568 PRESSURE: 4463600 -692.388 -73.9947 61.673 -73.995 -145.971 -76.9566 61.6737 -76.9572 -221.638 GPRESSURE: 4463600 -569.085 -39.8947 94.1812 -114.427 -148.746 -136.138 -94.7341 -177.081 -227.783 PRESSAVG: 4463600 10.206 -4.00709 81.8599 -4.00709 -34.5874 14.5675 81.8599 14.5674 3.78007 GPRESSAVG: 4463600 10.1606 -5.45492 84.7996 -3.91889 -33.7351 15.2849 81.5925 14.4931 2.9732 TIMING: 4463600 CPU: 14421.2, 0.00314835/step Wall: 14421.2, 0.00314835/step, 0.469103 hours remaining, 234.382812 MB of memory in use. ENERGY: 4463600 3972.0889 20570.5486 14451.4517 219.6964 -203157.6909 2415.2365 0.0000 0.0000 52017.7615 -109510.9073 298.9468 -161528.6688 -109150.7948 298.3189 -353.3325 -315.2046 760238.3616 -6.8671 -6.8671 PRESSURE: 4463800 -549.701 -225.537 4.69797 -225.537 11.5024 -86.5429 4.69849 -86.543 -552.614 GPRESSURE: 4463800 -466.271 -165.536 32.6887 -272.769 -40.6133 14.876 37.6823 -205.928 -507.325 PRESSAVG: 4463800 -5.62493 -48.2432 1.31194 -48.2432 -9.69286 -6.47227 1.31195 -6.47228 -12.7502 GPRESSAVG: 4463800 -6.04155 -45.0147 1.49276 -48.7087 -10.5006 -7.18904 2.12434 -5.91289 -11.7038 TIMING: 4463800 CPU: 14421.8, 0.00312245/step Wall: 14421.8, 0.00312245/step, 0.465072 hours remaining, 234.382812 MB of memory in use. ENERGY: 4463800 3936.5534 20657.8926 14496.7841 254.4752 -203158.4632 2307.7660 0.0000 0.0000 51997.6835 -109507.3084 298.8314 -161504.9919 -109156.0430 299.1225 -363.6040 -338.0698 760523.1146 -9.3560 -9.4153 PRESSURE: 4464000 -232.819 155.72 187.556 155.719 -162.948 15.2542 187.557 15.2531 328.916 GPRESSURE: 4464000 -154.303 33.1794 232.223 37.5854 -94.9261 54.4576 162.064 -113.991 267.316 PRESSAVG: 4464000 -41.8342 63.5941 1.23829 63.5941 17.9154 -0.225279 1.2383 -0.225276 -12.12 GPRESSAVG: 4464000 -40.6233 61.2347 1.71186 64.9295 17.5487 -0.441513 2.13517 -0.186393 -12.9031 TIMING: 4464000 CPU: 14422.4, 0.00311929/step Wall: 14422.4, 0.00311929/step, 0.464427 hours remaining, 234.382812 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: 4464000 3945.7637 20607.8244 14431.8722 266.6956 -203256.1480 2476.3083 0.0000 0.0000 52042.9351 -109484.7488 299.0915 -161527.6839 -109128.0068 299.2906 -22.2837 6.0288 758859.2657 -12.0129 -11.9925 PRESSURE: 4464200 -345.467 19.2447 144.93 19.2441 69.9575 -144.835 144.93 -144.835 201.876 GPRESSURE: 4464200 -292.396 -19.7419 153.003 66.3836 142.8 -148.603 7.8022 -167.032 155.357 PRESSAVG: 4464200 -26.6262 10.5263 -23.6144 10.5263 15.358 -49.742 -23.6144 -49.7421 -5.23118 GPRESSAVG: 4464200 -26.9008 12.4209 -24.77 11.8748 16.1813 -48.0317 -22.6119 -51.8003 -6.1743 TIMING: 4464200 CPU: 14423.1, 0.00310511/step Wall: 14423.1, 0.00310511/step, 0.462144 hours remaining, 234.382812 MB of memory in use. ENERGY: 4464200 3960.9901 20379.6109 14507.3682 265.2797 -203257.5469 2302.0422 0.0000 0.0000 52122.0494 -109720.2064 299.5461 -161842.2558 -109351.9428 298.7054 -24.5444 1.9200 759081.9347 -5.4998 -5.6313 LDB: ============= START OF LOAD BALANCING ============== 14435.5 LDB: ============== END OF LOAD BALANCING =============== 14435.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14435.5 LDB: ============= START OF LOAD BALANCING ============== 14435.8 LDB: Largest compute 7047 load 0.031973 is 16.4% of average load 0.195544 LDB: Average compute 0.004396 is 2.2% of average load 0.195544 LDB: TIME 14435.8 LOAD: AVG 0.195544 MAX 0.21248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.68 MB LDB: TIME 14435.8 LOAD: AVG 0.195544 MAX 0.21248 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.68 MB LDB: TIME 14435.8 LOAD: AVG 0.195544 MAX 0.21248 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.68 MB LDB: ============== END OF LOAD BALANCING =============== 14435.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14435.8 PRESSURE: 4464400 119.1 255.941 149.972 255.941 326.821 -113.229 149.972 -113.229 154.547 GPRESSURE: 4464400 242.044 106.557 88.6299 210.763 305.855 -132.423 59.25 -100.074 122.042 PRESSAVG: 4464400 -11.4763 -7.15392 37.0621 -7.15388 2.13859 51.0487 37.0622 51.0487 11.6016 GPRESSAVG: 4464400 -11.2404 -10.0501 36.5506 -8.55327 1.04507 49.4301 35.9547 51.6121 12.5996 TIMING: 4464400 CPU: 14423.7, 0.00320628/step Wall: 14423.7, 0.00320628/step, 0.477024 hours remaining, 235.132812 MB of memory in use. ENERGY: 4464400 3958.6107 20645.6631 14418.2783 246.9963 -203495.3560 2512.3284 0.0000 0.0000 52082.8630 -109630.6163 299.3209 -161713.4793 -109265.0105 298.9528 200.1558 223.3138 758276.1427 0.7546 0.8014 PRESSURE: 4464600 43.345 116.644 208.937 116.643 113.846 -12.7335 208.938 -12.7329 107.668 GPRESSURE: 4464600 23.593 92.1518 185.114 99.7776 244.79 -32.1209 193.913 -40.1128 88.6087 PRESSAVG: 4464600 37.2394 17.2811 14.4759 17.2811 -53.6823 -11.9763 14.476 -11.9763 29.9714 GPRESSAVG: 4464600 36.2492 19.4261 14.8568 17.5107 -52.3121 -10.2182 13.2984 -11.6246 29.1555 TIMING: 4464600 CPU: 14424.3, 0.0031645/step Wall: 14424.3, 0.0031645/step, 0.470631 hours remaining, 235.203125 MB of memory in use. ENERGY: 4464600 3981.1555 20501.7945 14460.6155 241.6745 -203218.6994 2434.3508 0.0000 0.0000 52051.0117 -109548.0969 299.1379 -161599.1086 -109195.7333 299.4815 88.2863 118.9972 757841.4025 4.5095 4.3642 PRESSURE: 4464800 60.1836 -19.6416 -154.17 -19.6425 74.8749 190.941 -154.171 190.942 105.726 GPRESSURE: 4464800 139.668 -117.286 -136.507 86.8098 109.271 214.011 -42.7517 54.5273 80.1641 PRESSAVG: 4464800 26.1059 78.7952 -8.40803 78.7953 -8.60897 0.00932917 -8.40803 0.0092566 -5.24185 GPRESSAVG: 4464800 26.1524 77.1068 -7.77188 78.0882 -9.39766 0.857846 -7.29059 -1.76755 -3.76493 TIMING: 4464800 CPU: 14425, 0.00314778/step Wall: 14425, 0.00314778/step, 0.46797 hours remaining, 235.203125 MB of memory in use. ENERGY: 4464800 3947.4623 20567.3148 14474.4200 261.9625 -203727.3889 2628.7661 0.0000 0.0000 52000.5406 -109846.9226 298.8478 -161847.4632 -109492.0073 299.1138 80.2614 109.7009 758435.9211 4.0850 4.3299 PRESSURE: 4465000 45.707 160.37 -211.705 160.37 -129.008 -215.241 -211.705 -215.241 143.251 GPRESSURE: 4465000 103.298 145.747 -231.465 219.606 -121.896 -266.213 -100.187 -157.59 163.957 PRESSAVG: 4465000 54.509 47.8293 -49.7651 47.8294 -23.1606 -9.19589 -49.7651 -9.19597 19.9247 GPRESSAVG: 4465000 54.9063 48.5365 -50.9692 48.127 -22.8795 -11.0858 -50.2066 -10.1961 19.3602 TIMING: 4465000 CPU: 14425.6, 0.00315339/step Wall: 14425.6, 0.00315339/step, 0.468629 hours remaining, 235.203125 MB of memory in use. ENERGY: 4465000 3946.2876 20466.6950 14430.6691 260.6538 -203993.2667 2712.4494 0.0000 0.0000 51975.1549 -110201.3570 298.7019 -162176.5119 -109838.6270 298.6277 19.9834 48.4532 759516.7318 17.0910 17.1290 PRESSURE: 4465200 -240.457 18.9636 -91.7651 18.9634 -45.9027 252.937 -91.7652 252.937 -100.825 GPRESSURE: 4465200 -187.079 35.7635 -169.766 6.05211 -29.8174 294.002 -120.561 137.194 -98.2025 PRESSAVG: 4465200 48.2695 1.71177 24.89 1.7118 -25.2137 -11.9089 24.89 -11.909 6.64939 GPRESSAVG: 4465200 48.1563 3.15862 26.6434 2.44611 -25.4292 -12.9276 24.0632 -9.18772 6.89635 TIMING: 4465200 CPU: 14426.2, 0.00314105/step Wall: 14426.2, 0.00314105/step, 0.466621 hours remaining, 235.203125 MB of memory in use. ENERGY: 4465200 4044.7318 20454.1266 14435.9785 266.0065 -203464.7311 2433.2432 0.0000 0.0000 51656.8051 -110173.8394 296.8724 -161830.6445 -109829.0399 298.5041 -129.0614 -105.0330 762070.2333 9.9017 9.8745 PRESSURE: 4465400 235.454 139.131 -93.8435 139.131 -148.398 -69.442 -93.8434 -69.4411 244.955 GPRESSURE: 4465400 239.808 118.949 -187.421 100.308 -86.8744 -68.7854 -88.4093 -59.1431 250.238 PRESSAVG: 4465400 2.35078 26.3433 -5.08793 26.3433 20.3539 -73.5894 -5.08789 -73.5894 26.5342 GPRESSAVG: 4465400 2.86221 25.2055 -5.0311 26.1705 19.3861 -73.1476 -6.01271 -73.5319 26.6217 TIMING: 4465400 CPU: 14426.9, 0.00314431/step Wall: 14426.9, 0.00314431/step, 0.46693 hours remaining, 235.203125 MB of memory in use. ENERGY: 4465400 3890.3520 20454.5064 14450.8115 243.7408 -204069.2347 2996.7270 0.0000 0.0000 51900.1329 -110132.9641 298.2708 -162033.0971 -109780.4126 297.9323 110.6704 134.3903 760802.6973 16.4130 16.2900 PRESSURE: 4465600 19.2082 -118.861 34.6524 -118.86 138.423 153.075 34.6526 153.076 -543.928 GPRESSURE: 4465600 82.2655 -79.2574 -2.34494 56.5006 131.063 161.072 -48.9704 53.8888 -491.685 PRESSAVG: 4465600 40.1628 24.9538 -9.51088 24.9538 -27.5385 14.8157 -9.51088 14.8158 9.13235 GPRESSAVG: 4465600 39.4016 24.5951 -11.3614 26.7622 -26.7692 15.3662 -7.03793 12.7809 9.47004 TIMING: 4465600 CPU: 14427.5, 0.00313861/step Wall: 14427.5, 0.00313861/step, 0.465909 hours remaining, 235.203125 MB of memory in use. ENERGY: 4465600 3994.1498 20530.3843 14437.4980 239.7843 -203481.3191 2691.3954 0.0000 0.0000 51794.9631 -109793.1442 297.6664 -161588.1073 -109442.7031 297.9580 -128.7658 -92.7855 760541.7672 7.2522 7.3675 PRESSURE: 4465800 -147.617 -105.916 -114.179 -105.916 38.6983 -101.269 -114.179 -101.269 -24.5342 GPRESSURE: 4465800 -123.913 -151.534 -141.159 -104.129 125.221 -157.29 -1.92841 -20.0767 -57.9877 PRESSAVG: 4465800 -11.5152 11.2667 6.91758 11.2667 18.2192 -20.0787 6.91756 -20.0787 -5.55672 GPRESSAVG: 4465800 -12.0343 11.8242 7.81565 8.4593 19.1432 -19.7572 6.84807 -18.8014 -5.38274 TIMING: 4465800 CPU: 14428.1, 0.00316225/step Wall: 14428.1, 0.00316225/step, 0.469242 hours remaining, 235.203125 MB of memory in use. ENERGY: 4465800 3984.4761 20590.6742 14407.7045 238.1348 -203226.6316 2196.4243 0.0000 0.0000 52022.4853 -109786.7325 298.9739 -161809.2177 -109433.4379 298.6203 -44.4842 -18.8932 759960.2529 0.3824 0.5754 PRESSURE: 4466000 -284.088 -119.399 154.675 -119.399 -254.942 23.2886 154.675 23.2894 67.7299 GPRESSURE: 4466000 -310.265 -151.596 121.815 -122.62 -198.268 52.1097 182.382 65.0792 117.403 PRESSAVG: 4466000 -26.7169 -15.6797 -0.697887 -15.6796 -10.8204 15.8548 -0.697892 15.8548 11.5937 GPRESSAVG: 4466000 -26.3268 -14.7066 -1.60296 -13.5872 -10.6587 16.5449 1.00571 15.8394 11.2894 TIMING: 4466000 CPU: 14428.7, 0.00313468/step Wall: 14428.7, 0.00313468/step, 0.464978 hours remaining, 235.203125 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: 4466000 3995.5812 20555.5269 14405.5354 241.7808 -203377.1947 2538.0802 0.0000 0.0000 51855.0120 -109785.6782 298.0115 -161640.6902 -109428.5447 298.2757 -157.1000 -130.3766 762314.4070 -8.6479 -8.5654 PRESSURE: 4466200 192.604 -151.221 54.9177 -151.221 -122.909 -144.309 54.9176 -144.309 42.8068 GPRESSURE: 4466200 161.226 -82.916 35.4462 -198.242 40.5212 -212.353 69.8694 -202.812 -1.07361 PRESSAVG: 4466200 -20.5893 -9.7188 22.3966 -9.71882 24.1238 -19.5314 22.3966 -19.5313 5.88976 GPRESSAVG: 4466200 -19.5233 -9.54696 25.3474 -11.8143 24.7697 -19.7282 19.3825 -18.6532 4.53166 TIMING: 4466200 CPU: 14429.4, 0.0031279/step Wall: 14429.4, 0.0031279/step, 0.463798 hours remaining, 235.203125 MB of memory in use. ENERGY: 4466200 3922.8818 20599.6277 14443.2409 225.7541 -203476.6339 2571.3630 0.0000 0.0000 51961.0423 -109752.7241 298.6208 -161713.7665 -109378.1501 298.8559 37.5004 66.8912 760896.1213 3.1414 3.2594 PRESSURE: 4466400 -181.88 -44.017 -186.552 -44.0169 157.812 -20.1706 -186.553 -20.1699 332.318 GPRESSURE: 4466400 -126.5 -0.0737183 -163.146 -108.008 243.685 -68.6108 -87.2262 -24.031 257.152 PRESSAVG: 4466400 -3.28104 13.1725 10.5074 13.1726 16.4942 -4.65122 10.5073 -4.65129 -7.87916 GPRESSAVG: 4466400 -4.4139 12.995 8.57081 14.2558 15.9651 -6.4602 10.6683 -4.636 -5.93241 TIMING: 4466400 CPU: 14430, 0.00313222/step Wall: 14430, 0.00313222/step, 0.464264 hours remaining, 235.203125 MB of memory in use. ENERGY: 4466400 3995.1515 20564.5643 14449.8067 241.6077 -203742.4809 2743.9434 0.0000 0.0000 51977.5979 -109769.8095 298.7160 -161747.4074 -109421.0622 299.2379 102.7502 124.7788 758169.1909 1.7780 1.8729 PRESSURE: 4466600 1.71542 -158.274 -60.1974 -158.275 -1.67945 61.7203 -60.1973 61.7203 229.198 GPRESSURE: 4466600 149.995 -122.569 -84.5219 -190.359 10.8951 57.5063 -46.1197 154.052 143.464 PRESSAVG: 4466600 39.5261 -1.59285 55.0871 -1.5928 -26.3454 -24.6395 55.0872 -24.6395 19.7594 GPRESSAVG: 4466600 39.9907 -2.04507 54.5457 0.0822495 -25.9919 -23.1146 57.2361 -24.9203 19.5566 TIMING: 4466600 CPU: 14430.6, 0.00311343/step Wall: 14430.6, 0.00311343/step, 0.461306 hours remaining, 235.203125 MB of memory in use. ENERGY: 4466600 4081.9681 20494.6535 14447.9644 245.9283 -203598.5208 2555.1268 0.0000 0.0000 52048.6180 -109724.2618 299.1241 -161772.8798 -109362.8050 299.3416 76.4112 101.4512 758206.0606 10.9800 11.1851 PRESSURE: 4466800 44.7937 79.6649 241.2 79.6651 259.626 73.7674 241.2 73.7675 159.899 GPRESSURE: 4466800 168.634 99.1251 184.72 -40.8089 258.451 73.9069 199.686 187.053 130.91 PRESSAVG: 4466800 9.70444 -17.0129 28.7714 -17.0129 -13.0063 -1.59022 28.7713 -1.59027 -11.2459 GPRESSAVG: 4466800 10.2681 -17.2639 29.7038 -17.4021 -14.043 -0.287167 26.3774 -1.88061 -10.671 TIMING: 4466800 CPU: 14431.2, 0.00312858/step Wall: 14431.2, 0.00312858/step, 0.463377 hours remaining, 235.203125 MB of memory in use. ENERGY: 4466800 3984.6826 20581.8299 14478.0560 248.9345 -203983.7997 2804.5367 0.0000 0.0000 52206.0876 -109679.6724 300.0291 -161885.7600 -109316.3556 299.4056 154.7730 185.9984 757810.5897 -4.8493 -4.8153 PRESSURE: 4467000 359.313 16.8123 -40.4714 16.8115 205.929 78.5854 -40.4714 78.5843 376.539 GPRESSURE: 4467000 487.371 -56.1451 55.396 38.6738 221.773 11.215 -5.6957 110.245 312.568 PRESSAVG: 4467000 22.0638 22.634 13.1248 22.634 -17.7869 -12.4504 13.1248 -12.4505 8.48366 GPRESSAVG: 4467000 21.4676 23.2443 15.1257 20.3985 -16.2574 -13.8577 12.812 -11.9644 7.67952 TIMING: 4467000 CPU: 14431.9, 0.00311777/step Wall: 14431.9, 0.00311777/step, 0.461603 hours remaining, 235.203125 MB of memory in use. ENERGY: 4467000 4037.4999 20588.5755 14412.7742 257.7999 -203919.9014 2879.8450 0.0000 0.0000 52105.2481 -109638.1588 299.4496 -161743.4069 -109273.0999 299.1732 313.9269 340.5705 761412.8399 4.2535 4.2966 PRESSURE: 4467200 456.893 -220.617 163.295 -220.618 239.203 306.644 163.295 306.645 -2.18194 GPRESSURE: 4467200 405.728 -236.186 163.872 -240.608 314.832 357.454 148.039 248.818 66.8246 PRESSAVG: 4467200 41.8945 -8.64979 7.35953 -8.64986 -53.9424 18.6645 7.35947 18.6645 -17.8561 GPRESSAVG: 4467200 42.4611 -8.53936 7.73065 -7.39372 -54.1329 18.2177 8.58194 17.5522 -18.2601 TIMING: 4467200 CPU: 14432.5, 0.00315605/step Wall: 14432.5, 0.00315605/step, 0.467095 hours remaining, 235.203125 MB of memory in use. ENERGY: 4467200 3987.7409 20462.9719 14450.8146 256.5903 -204154.5229 3052.0487 0.0000 0.0000 52303.5262 -109640.8302 300.5891 -161944.3564 -109273.0047 299.6349 231.3044 262.4617 759579.7540 -9.9680 -9.9773 PRESSURE: 4467400 -22.6886 273.894 160.672 273.893 -203.695 0.874637 160.67 0.87535 -151.793 GPRESSURE: 4467400 72.2758 151.168 70.4201 224.464 -269.325 -3.37806 38.3782 -66.2353 -95.6282 PRESSAVG: 4467400 26.4324 32.8371 57.3113 32.8371 16.4574 -5.06037 57.3113 -5.06042 -8.27311 GPRESSAVG: 4467400 26.452 31.749 56.4911 32.9522 15.0008 -4.86979 56.2048 -4.20775 -6.60343 TIMING: 4467400 CPU: 14433.1, 0.00312419/step Wall: 14433.1, 0.00312419/step, 0.462207 hours remaining, 235.203125 MB of memory in use. ENERGY: 4467400 4059.7027 20484.9451 14403.3789 246.2704 -203361.8700 2649.5053 0.0000 0.0000 52203.0124 -109315.0553 300.0114 -161518.0677 -108956.7978 299.1749 -126.0588 -97.5592 761110.7935 11.5389 11.6165 PRESSURE: 4467600 -110.736 82.018 322.264 82.0184 72.0816 -207.397 322.263 -207.397 -262.516 GPRESSURE: 4467600 -34.5322 36.2388 394.777 -21.4129 47.4765 -190.187 211.72 -186.038 -237.401 PRESSAVG: 4467600 3.09728 19.152 12.3364 19.1521 52.0081 -10.1864 12.3364 -10.1863 -2.83181 GPRESSAVG: 4467600 3.75442 20.8082 12.1664 17.6624 52.391 -10.9079 14.341 -9.38884 -4.39609 TIMING: 4467600 CPU: 14433.7, 0.00311752/step Wall: 14433.7, 0.00311752/step, 0.461046 hours remaining, 235.203125 MB of memory in use. ENERGY: 4467600 4054.4691 20423.3343 14426.4912 235.5346 -202696.5579 2186.7479 0.0000 0.0000 51988.7324 -109381.2484 298.7800 -161369.9808 -109012.6918 299.5569 -100.3901 -74.8189 760214.6044 17.4245 17.2498 PRESSURE: 4467800 -489.74 -179.181 97.1042 -179.18 -129.856 -94.9279 97.1043 -94.9287 -436.372 GPRESSURE: 4467800 -427.543 -157.363 149.785 -135.161 -47.2196 -117.18 147.949 -38.8155 -470.178 PRESSAVG: 4467800 -5.16064 29.1374 33.1208 29.1374 5.23534 -43.4567 33.1209 -43.4568 0.498928 GPRESSAVG: 4467800 -6.41999 27.3086 32.0406 30.9367 5.19177 -42.7957 33.3251 -43.815 1.90087 TIMING: 4467800 CPU: 14434.4, 0.00314628/step Wall: 14434.4, 0.00314628/step, 0.465125 hours remaining, 235.203125 MB of memory in use. ENERGY: 4467800 4047.0896 20467.3346 14394.3049 254.0619 -203233.0384 2254.5218 0.0000 0.0000 52223.3706 -109592.3549 300.1284 -161815.7255 -109214.4879 299.8290 -351.9896 -314.9804 760230.0955 0.1912 0.2242 PRESSURE: 4468000 457.562 -131.05 166.745 -131.05 -293.504 91.438 166.744 91.4383 -140.77 GPRESSURE: 4468000 372.977 -41.9528 217.27 -186.257 -217.836 21.2353 73.0056 93.184 -49.6187 PRESSAVG: 4468000 10.0801 -54.3026 19.9265 -54.3026 -25.5971 -14.6262 19.9265 -14.6262 -26.3881 GPRESSAVG: 4468000 10.0815 -53.0102 21.2901 -53.423 -23.6776 -15.7019 19.7003 -15.1581 -27.6565 TIMING: 4468000 CPU: 14435, 0.00314848/step Wall: 14435, 0.00314848/step, 0.465276 hours remaining, 235.203125 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: 4468000 4044.7582 20676.1024 14355.2444 248.9910 -203771.3718 2810.9155 0.0000 0.0000 52082.3355 -109553.0249 299.3179 -161635.3604 -109194.3516 299.0859 7.7625 35.1741 758729.2386 -13.9683 -13.7509 PRESSURE: 4468200 75.4892 17.1086 -72.4621 17.1083 200.146 197.431 -72.4626 197.431 33.569 GPRESSURE: 4468200 151.275 1.61539 -22.9963 -60.4981 144.691 167.416 -70.0144 184.584 92.7757 PRESSAVG: 4468200 12.6943 -4.5922 51.7048 -4.59225 18.1955 5.0196 51.7048 5.0196 8.08046 GPRESSAVG: 4468200 12.2044 -2.50216 50.0642 -7.38239 15.9074 5.96043 51.4687 7.63868 10.4167 TIMING: 4468200 CPU: 14435.6, 0.00311518/step Wall: 14435.6, 0.00311518/step, 0.460181 hours remaining, 235.203125 MB of memory in use. ENERGY: 4468200 4044.0365 20539.1539 14411.3317 232.0338 -203358.5357 2581.7797 0.0000 0.0000 51974.5411 -109575.6590 298.6984 -161550.2001 -109213.6638 298.9854 103.0682 129.5804 759797.6466 12.9901 12.8428 LDB: ============= START OF LOAD BALANCING ============== 14448 LDB: ============== END OF LOAD BALANCING =============== 14448 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14448 LDB: ============= START OF LOAD BALANCING ============== 14448.4 LDB: Largest compute 7056 load 0.032256 is 16.5% of average load 0.195586 LDB: Average compute 0.004391 is 2.2% of average load 0.195586 LDB: TIME 14448.4 LOAD: AVG 0.195586 MAX 0.211834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.934 MB LDB: TIME 14448.4 LOAD: AVG 0.195586 MAX 0.211834 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: TIME 14448.4 LOAD: AVG 0.195586 MAX 0.211834 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: ============== END OF LOAD BALANCING =============== 14448.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14448.4 PRESSURE: 4468400 81.3847 34.9569 96.4596 34.9566 -124.943 -87.6853 96.4593 -87.6855 174.722 GPRESSURE: 4468400 101.524 185.81 38.5546 85.1873 -52.3335 -75.2496 239.684 -26.7003 170.318 PRESSAVG: 4468400 -5.81214 -22.0349 63.2317 -22.035 -4.82895 16.3095 63.2317 16.3096 15.3817 GPRESSAVG: 4468400 -6.15865 -23.2468 64.4885 -19.3243 -2.72789 16.6208 63.4514 13.7891 13.7055 TIMING: 4468400 CPU: 14436.3, 0.00318823/step Wall: 14436.3, 0.00318823/step, 0.470796 hours remaining, 233.707031 MB of memory in use. ENERGY: 4468400 4023.3448 20508.4479 14475.4951 246.2425 -203418.0440 2630.5293 0.0000 0.0000 52071.3339 -109462.6505 299.2547 -161533.9844 -109096.3033 298.8397 43.7214 73.1695 760555.6375 1.5802 1.6063 PRESSURE: 4468600 -18.3042 212.065 -297.279 212.065 -194.553 58.0581 -297.278 58.0579 -86.5093 GPRESSURE: 4468600 -28.6428 107.654 -291.624 248.953 -115.609 81.9565 -261.855 -81.8251 -74.2599 PRESSAVG: 4468600 12.3914 24.1471 -22.2534 24.147 8.54091 -7.85091 -22.2535 -7.85104 -6.58486 GPRESSAVG: 4468600 13.2652 22.7716 -21.3674 22.808 7.42788 -7.47205 -23.9853 -8.56207 -6.18878 TIMING: 4468600 CPU: 14436.9, 0.00310753/step Wall: 14436.9, 0.00310753/step, 0.458706 hours remaining, 233.910156 MB of memory in use. ENERGY: 4468600 4029.9866 20277.4557 14414.7917 248.2270 -203483.3092 2668.4296 0.0000 0.0000 52190.1742 -109654.2445 299.9376 -161844.4188 -109289.0022 299.3128 -99.7888 -72.8373 761556.8012 4.7825 4.8348 PRESSURE: 4468800 -418.884 117.141 -102.609 117.141 -156.846 34.6733 -102.608 34.6714 70.8533 GPRESSURE: 4468800 -352.863 95.4459 -147.588 100.019 -112.789 64.0956 24.2338 66.3935 42.8786 PRESSAVG: 4468800 12.2996 -7.26276 8.90577 -7.2627 -35.933 -34.1436 8.9058 -34.1437 18.5416 GPRESSAVG: 4468800 12.6025 -6.33793 7.13482 -7.39626 -34.9727 -34.1886 11.055 -32.7846 17.5735 TIMING: 4468800 CPU: 14437.5, 0.003141/step Wall: 14437.5, 0.003141/step, 0.463472 hours remaining, 233.910156 MB of memory in use. ENERGY: 4468800 3978.7474 20459.9185 14451.4307 250.5578 -203490.5593 2631.2207 0.0000 0.0000 52171.1530 -109547.5312 299.8283 -161718.6842 -109186.3098 298.9879 -168.2924 -140.9246 761398.8206 -1.6973 -1.5989 PRESSURE: 4469000 -31.8659 121.591 125.089 121.591 208.479 -11.6969 125.089 -11.6974 356.034 GPRESSURE: 4469000 93.9365 155.375 127.623 123.428 212.789 -1.47455 86.1381 -38.3127 285.699 PRESSAVG: 4469000 -13.5908 -34.0867 37.7242 -34.0867 0.600375 -31.9213 37.7241 -31.9213 -8.34193 GPRESSAVG: 4469000 -13.5612 -35.891 39.3128 -33.7551 -0.335914 -32.2881 37.4284 -30.5467 -7.41282 TIMING: 4469000 CPU: 14438.1, 0.00313115/step Wall: 14438.1, 0.00313115/step, 0.461844 hours remaining, 233.910156 MB of memory in use. ENERGY: 4469000 3976.1456 20615.6819 14416.2113 213.8828 -203412.4355 2568.0831 0.0000 0.0000 52074.1640 -109548.2666 299.2709 -161622.4306 -109185.0680 299.5311 177.5492 197.4747 759700.7380 -7.1108 -7.1033 PRESSURE: 4469200 154.693 130.934 280.659 130.934 -235.929 -89.0327 280.659 -89.0334 186.417 GPRESSURE: 4469200 201.304 119.116 241.83 99.6672 -156.365 -63.6951 244.105 -95.3555 148.533 PRESSAVG: 4469200 -6.49003 -20.0508 41.434 -20.0508 -6.15717 -33.6427 41.434 -33.6428 -8.54284 GPRESSAVG: 4469200 -6.54378 -17.4241 42.5203 -20.3858 -5.64811 -34.1117 42.0671 -34.4741 -8.80588 TIMING: 4469200 CPU: 14438.8, 0.00314177/step Wall: 14438.8, 0.00314177/step, 0.463236 hours remaining, 233.910156 MB of memory in use. ENERGY: 4469200 3919.0283 20517.7140 14490.4463 253.0702 -203013.1118 2331.2447 0.0000 0.0000 52001.5653 -109500.0429 298.8537 -161501.6082 -109141.3245 299.2572 35.0605 64.4907 761659.8007 -7.0633 -6.9993 PRESSURE: 4469400 96.5784 120.205 143.33 120.206 -322.443 -242.147 143.331 -242.146 -34.522 GPRESSURE: 4469400 90.0775 149.042 98.3022 -19.6625 -191.018 -221.857 112.621 -204.477 -37.1208 PRESSAVG: 4469400 62.8448 -27.2648 11.7129 -27.2648 -27.3709 12.6313 11.7129 12.6313 41.8997 GPRESSAVG: 4469400 61.8775 -29.6771 11.7075 -27.5003 -27.0287 13.6081 8.32463 10.5538 42.0213 TIMING: 4469400 CPU: 14439.4, 0.00315631/step Wall: 14439.4, 0.00315631/step, 0.465205 hours remaining, 233.910156 MB of memory in use. ENERGY: 4469400 4025.8000 20544.6062 14487.1114 256.3232 -203237.3443 2265.6658 0.0000 0.0000 52182.3549 -109475.4828 299.8927 -161657.8378 -109112.1342 299.8235 -86.7956 -46.0205 760092.8221 25.7912 25.6233 PRESSURE: 4469600 -123.365 57.8739 -154.725 57.8749 -28.5292 -174.408 -154.725 -174.409 -64.8734 GPRESSURE: 4469600 -124.588 -38.1645 -183.168 -40.9432 41.8767 -222.871 -260.969 -136.027 -56.5622 PRESSAVG: 4469600 17.6159 7.02317 -6.31348 7.02321 -8.58566 5.12404 -6.31351 5.12407 -9.04889 GPRESSAVG: 4469600 16.669 8.35442 -8.91397 5.93233 -6.96467 6.09513 -6.48414 6.88958 -9.85332 TIMING: 4469600 CPU: 14440, 0.00313028/step Wall: 14440, 0.00313028/step, 0.461195 hours remaining, 233.910156 MB of memory in use. ENERGY: 4469600 4021.8085 20546.5080 14524.7418 238.2608 -203329.1414 2399.3421 0.0000 0.0000 52104.5863 -109493.8939 299.4458 -161598.4802 -109116.7957 299.9211 -72.2558 -46.4246 760750.1484 -0.0062 -0.0497 PRESSURE: 4469800 239.72 -191.229 -57.4787 -191.229 84.2267 -95.7836 -57.4789 -95.7827 247.981 GPRESSURE: 4469800 188.093 -140.971 -77.0236 -61.956 172.495 -84.3163 134.315 33.5987 290.7 PRESSAVG: 4469800 -10.4874 39.0178 -21.9151 39.0177 -29.5498 13.9503 -21.9152 13.9502 -18.5729 GPRESSAVG: 4469800 -10.0376 38.4547 -20.9175 41.0806 -31.2491 11.9745 -20.3042 15.676 -16.8875 TIMING: 4469800 CPU: 14440.7, 0.00314435/step Wall: 14440.7, 0.00314435/step, 0.463093 hours remaining, 233.910156 MB of memory in use. ENERGY: 4469800 4026.5668 20552.5483 14536.7093 232.6264 -203592.4530 2643.6933 0.0000 0.0000 51915.8790 -109684.4299 298.3613 -161600.3089 -109329.6294 299.3956 190.6426 217.0959 760879.2157 -19.5367 -19.3914 PRESSURE: 4470000 -499.938 94.1448 -228.827 94.1445 -238.584 -99.6475 -228.827 -99.6471 -336.992 GPRESSURE: 4470000 -434.165 180.886 -297.727 157.343 -209.526 -154.472 -308.036 -65.9164 -342.47 PRESSAVG: 4470000 7.65074 -22.5605 -33.8429 -22.5605 8.64176 -24.408 -33.8428 -24.408 -5.1715 GPRESSAVG: 4470000 9.36647 -21.1488 -33.5244 -24.4482 8.16323 -23.5763 -34.4224 -26.7068 -6.37848 TIMING: 4470000 CPU: 14441.3, 0.00312855/step Wall: 14441.3, 0.00312855/step, 0.460592 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4470000 4089.5596 20373.7248 14499.8944 253.6865 -203754.3239 2577.7440 0.0000 0.0000 51968.5320 -109991.1826 298.6639 -161959.7146 -109626.8843 298.6420 -358.5047 -328.7201 761439.8113 3.7070 3.7171 PRESSURE: 4470200 -12.6408 51.3354 3.01284 51.335 -89.4773 -42.6056 3.01271 -42.6053 46.8217 GPRESSURE: 4470200 121.543 154.896 -13.5027 118.295 -72.228 -110.947 -28.9843 -2.7107 -12.1372 PRESSAVG: 4470200 79.2585 -18.5341 -25.6811 -18.5341 -60.8598 -9.31469 -25.681 -9.31474 -14.2146 GPRESSAVG: 4470200 77.6368 -19.3306 -25.6253 -16.3924 -59.6832 -10.1294 -24.4549 -8.8305 -13.7203 TIMING: 4470200 CPU: 14441.9, 0.00312706/step Wall: 14441.9, 0.00312706/step, 0.460199 hours remaining, 233.910156 MB of memory in use. ENERGY: 4470200 4025.1981 20357.4325 14455.2889 255.2563 -204124.9545 2838.9601 0.0000 0.0000 52124.8851 -110067.9334 299.5624 -162192.8186 -109695.8594 298.5658 -18.4321 12.3927 757925.9286 1.3947 1.4111 PRESSURE: 4470400 -95.357 122.155 246.936 122.154 -438.472 53.4754 246.937 53.4762 26.7828 GPRESSURE: 4470400 -141.371 139.243 284.426 86.7955 -365.49 0.162092 288.434 49.0991 79.4153 PRESSAVG: 4470400 56.6204 13.0125 -39.4429 13.0125 -7.65538 -35.7425 -39.4429 -35.7424 18.963 GPRESSAVG: 4470400 57.2926 10.226 -40.3002 10.8297 -8.92355 -37.1264 -39.7691 -34.6909 19.2665 TIMING: 4470400 CPU: 14442.5, 0.00313523/step Wall: 14442.5, 0.00313523/step, 0.461227 hours remaining, 233.910156 MB of memory in use. ENERGY: 4470400 4063.1939 20429.4143 14512.1845 246.1273 -203243.3969 2492.3765 0.0000 0.0000 51618.3423 -109881.7580 296.6513 -161500.1003 -109514.9889 298.1809 -169.0153 -142.4819 760521.6484 22.6427 22.5452 PRESSURE: 4470600 75.1295 -42.661 -11.9653 -42.6609 48.9387 96.1174 -11.9656 96.1163 -127.683 GPRESSURE: 4470600 102.456 -65.2447 -56.8432 -12.8302 29.2588 67.8357 -160.28 123.88 -76.0291 PRESSAVG: 4470600 3.98027 -11.2602 -42.21 -11.2602 -55.1403 1.08037 -42.21 1.08039 -1.58629 GPRESSAVG: 4470600 3.29656 -9.51281 -40.933 -8.29185 -55.8633 1.84446 -45.3616 0.596875 -0.278947 TIMING: 4470600 CPU: 14443.2, 0.00316856/step Wall: 14443.2, 0.00316856/step, 0.465954 hours remaining, 233.910156 MB of memory in use. ENERGY: 4470600 3955.6056 20652.7434 14418.7274 262.4549 -203361.3488 2378.0444 0.0000 0.0000 51616.1625 -110077.6107 296.6388 -161693.7732 -109726.5694 297.8715 -1.2051 18.5620 759749.2683 -17.5821 -17.6152 PRESSURE: 4470800 407.932 2.94956 60.3562 2.94935 180.387 41.613 60.3559 41.6125 175.428 GPRESSURE: 4470800 429.735 151.634 4.92203 46.5608 186.1 10.715 208.11 80.2203 242.306 PRESSAVG: 4470800 97.3301 -10.4637 -10.7462 -10.4637 -136.185 -23.9669 -10.7462 -23.9668 -12.4339 GPRESSAVG: 4470800 98.646 -9.85433 -10.4852 -12.4427 -134.458 -23.9051 -8.27426 -23.5268 -14.6744 TIMING: 4470800 CPU: 14443.8, 0.00313781/step Wall: 14443.8, 0.00313781/step, 0.461258 hours remaining, 233.910156 MB of memory in use. ENERGY: 4470800 3954.0987 20530.2562 14493.2003 233.7897 -203746.3518 2635.2564 0.0000 0.0000 52059.4922 -109840.2583 299.1866 -161899.7505 -109483.1020 297.8636 254.5823 286.0473 759463.0944 -17.0963 -16.8287 PRESSURE: 4471000 139.693 85.1244 -137.093 85.1234 -249.44 111.604 -137.092 111.605 270.279 GPRESSURE: 4471000 216.844 103.973 -85.3979 82.2787 -183.047 76.012 -148.602 142.072 214.514 PRESSAVG: 4471000 50.6403 -18.6236 -33.4202 -18.6236 -57.0443 -14.295 -33.4202 -14.295 2.27079 GPRESSAVG: 4471000 49.8675 -19.8967 -35.2514 -18.6161 -57.9351 -13.7199 -34.6508 -13.7706 4.13172 TIMING: 4471000 CPU: 14444.4, 0.00311076/step Wall: 14444.4, 0.00311076/step, 0.457109 hours remaining, 233.910156 MB of memory in use. ENERGY: 4471000 3953.9179 20360.8985 14484.2062 252.0613 -203373.5194 2506.5122 0.0000 0.0000 52054.5462 -109761.3772 299.1582 -161815.9234 -109403.8559 298.5662 53.5104 82.7701 761074.9429 -1.3777 -1.3120 PRESSURE: 4471200 107.533 52.349 -63.0533 52.348 3.96001 -81.3471 -63.053 -81.3482 -389.596 GPRESSURE: 4471200 110.795 79.5152 -115.49 121.836 26.5532 49.8783 25.8106 -147.882 -321.86 PRESSAVG: 4471200 37.3883 -38.571 -42.7017 -38.571 0.424468 -19.8689 -42.7016 -19.869 -10.5373 GPRESSAVG: 4471200 38.3854 -37.665 -43.5213 -37.9026 0.246556 -18.8344 -41.5737 -22.9535 -10.7806 TIMING: 4471200 CPU: 14445, 0.00311364/step Wall: 14445, 0.00311364/step, 0.457359 hours remaining, 233.910156 MB of memory in use. ENERGY: 4471200 3987.5456 20395.6703 14423.5299 262.9171 -203602.9933 2848.5315 0.0000 0.0000 51949.9795 -109734.8195 298.5572 -161684.7990 -109367.3856 298.7915 -92.7010 -61.5039 760510.0116 9.0918 9.2838 PRESSURE: 4471400 -599.605 82.4519 -76.38 82.4525 -320.867 -182.812 -76.3801 -182.811 -183.445 GPRESSURE: 4471400 -458.406 -54.7566 26.6852 50.6002 -310.86 -194.673 -115.511 -191.57 -226.132 PRESSAVG: 4471400 43.5179 8.13546 -11.2656 8.13545 -24.5101 -8.9301 -11.2656 -8.93019 3.29048 GPRESSAVG: 4471400 44.0329 8.92081 -9.84095 8.88939 -24.0424 -9.8408 -12.3284 -8.55788 2.85428 TIMING: 4471400 CPU: 14445.7, 0.00311792/step Wall: 14445.7, 0.00311792/step, 0.457815 hours remaining, 233.910156 MB of memory in use. ENERGY: 4471400 3990.3023 20448.2078 14394.8674 263.6192 -203316.3252 2509.4911 0.0000 0.0000 51892.5325 -109817.3049 298.2271 -161709.8374 -109458.2724 298.4960 -367.9723 -331.7992 760960.9904 7.4328 7.6149 PRESSURE: 4471600 184.536 -162.252 -84.6654 -162.253 -229.862 -110.485 -84.6658 -110.484 187.867 GPRESSURE: 4471600 269.617 -118.046 -110.718 -170.984 -126.555 -133.064 -10.8083 -164.919 102.654 PRESSAVG: 4471600 81.5178 -41.9681 -7.61315 -41.9681 -51.7224 10.7149 -7.61317 10.7149 17.86 GPRESSAVG: 4471600 81.0016 -41.169 -9.42148 -41.5583 -52.2577 10.1761 -5.66392 12.9787 18.6639 TIMING: 4471600 CPU: 14446.3, 0.0031462/step Wall: 14446.3, 0.0031462/step, 0.461792 hours remaining, 233.910156 MB of memory in use. ENERGY: 4471600 3951.4279 20511.9184 14420.5855 245.3690 -203486.2091 2692.7170 0.0000 0.0000 51868.4816 -109795.7097 298.0889 -161664.1912 -109447.9591 298.9184 47.5136 81.9054 758142.8012 15.8851 15.8026 PRESSURE: 4471800 -382.884 -111.06 145.722 -111.06 -245.471 66.2017 145.723 66.2025 -186.98 GPRESSURE: 4471800 -375.882 -157.926 64.4084 64.6367 -168.074 102.279 303.984 145.712 -197.842 PRESSAVG: 4471800 41.7799 -17.3576 -36.1017 -17.3576 -60.4393 46.4763 -36.1018 46.4763 -3.44252 GPRESSAVG: 4471800 40.9747 -19.4264 -34.1541 -16.804 -58.9271 47.0279 -36.3875 46.8535 -4.46719 TIMING: 4471800 CPU: 14446.9, 0.00314054/step Wall: 14446.9, 0.00314054/step, 0.460787 hours remaining, 233.910156 MB of memory in use. ENERGY: 4471800 3976.5921 20515.7791 14472.1952 246.5346 -203183.4104 2281.8433 0.0000 0.0000 51936.7834 -109753.6828 298.4814 -161690.4661 -109393.5199 298.3674 -271.7783 -247.2660 760262.0227 -7.3673 -7.4732 PRESSURE: 4472000 36.7598 227.165 3.9439 227.165 -82.2917 63.1432 3.94356 63.1436 -122.915 GPRESSURE: 4472000 30.5929 244.355 -32.6608 179.663 -103.321 79.7514 118.466 70.9898 -23.4958 PRESSAVG: 4472000 -5.03833 3.33336 -34.4771 3.33336 -17.7089 9.84057 -34.4771 9.8406 -7.33801 GPRESSAVG: 4472000 -3.75541 4.60212 -34.7975 1.31393 -19.2029 10.6528 -34.2089 9.11777 -7.60955 TIMING: 4472000 CPU: 14447.5, 0.00312315/step Wall: 14447.5, 0.00312315/step, 0.458063 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4472000 3868.5991 20599.9569 14469.8476 232.8036 -203129.0814 2344.3612 0.0000 0.0000 51677.4906 -109936.0224 296.9912 -161613.5130 -109589.9647 298.5355 -56.1489 -32.0746 759921.9141 -10.0284 -10.1893 PRESSURE: 4472200 7.39531 -189.855 29.4471 -189.854 63.9023 221.012 29.4473 221.011 11.4045 GPRESSURE: 4472200 38.0143 -187.21 -48.4708 -231.919 157.642 166.091 -83.6392 192.206 -42.4256 PRESSAVG: 4472200 41.8165 -29.3033 -32.3017 -29.3033 5.23166 10.1333 -32.3017 10.1333 27.8185 GPRESSAVG: 4472200 39.8747 -28.6835 -31.5404 -29.2859 5.92745 9.1912 -34.1673 8.49767 28.7135 TIMING: 4472200 CPU: 14448.2, 0.00312237/step Wall: 14448.2, 0.00312237/step, 0.457775 hours remaining, 233.910156 MB of memory in use. ENERGY: 4472200 3940.8518 20316.9035 14563.6446 227.8227 -203026.7598 2372.3624 0.0000 0.0000 51870.4159 -109734.7589 298.1000 -161605.1747 -109382.4198 298.0656 27.5673 51.0771 760243.2859 24.9556 24.8386 LDB: ============= START OF LOAD BALANCING ============== 14460.6 LDB: ============== END OF LOAD BALANCING =============== 14460.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14460.6 LDB: ============= START OF LOAD BALANCING ============== 14460.9 LDB: Largest compute 7056 load 0.031231 is 16.0% of average load 0.195628 LDB: Average compute 0.004382 is 2.2% of average load 0.195628 LDB: TIME 14460.9 LOAD: AVG 0.195628 MAX 0.21285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 14460.9 LOAD: AVG 0.195628 MAX 0.21285 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 14460.9 LOAD: AVG 0.195628 MAX 0.21285 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 14460.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14460.9 PRESSURE: 4472400 0.681425 -95.0731 202.539 -95.0733 -341.849 46.8378 202.539 46.8382 -263.686 GPRESSURE: 4472400 -44.3748 -121.563 184.441 -201.965 -259.214 -31.9028 136.644 -16.2445 -213.954 PRESSAVG: 4472400 14.2274 -42.8216 4.37828 -42.8216 19.4904 -32.341 4.3783 -32.3409 31.5832 GPRESSAVG: 4472400 15.8405 -44.3385 4.95609 -44.1218 18.2086 -32.5552 4.23128 -33.2333 31.2358 TIMING: 4472400 CPU: 14448.8, 0.00319548/step Wall: 14448.8, 0.00319548/step, 0.468315 hours remaining, 234.812500 MB of memory in use. ENERGY: 4472400 4009.9141 20379.2968 14493.9205 231.2588 -203436.9876 2563.8744 0.0000 0.0000 51902.8034 -109855.9196 298.2861 -161758.7230 -109490.9897 298.4925 -201.6177 -172.5141 759933.6092 21.7670 21.7617 PRESSURE: 4472600 -74.9746 -155.442 -83.0944 -155.442 95.6761 -92.6776 -83.0944 -92.6765 325.791 GPRESSURE: 4472600 -64.959 -62.2493 32.3335 84.7757 175.644 -119.768 20.8455 -88.5543 306.878 PRESSAVG: 4472600 12.7997 -21.2252 20.6362 -21.2253 -6.64899 -55.1756 20.6363 -55.1756 9.2101 GPRESSAVG: 4472600 10.5747 -19.5375 21.2987 -20.8992 -5.33925 -53.9434 22.5793 -53.2587 9.85645 TIMING: 4472600 CPU: 14449.4, 0.00313035/step Wall: 14449.4, 0.00313035/step, 0.458596 hours remaining, 234.812500 MB of memory in use. ENERGY: 4472600 3983.1783 20306.4577 14469.0101 234.7063 -203448.0182 2585.2873 0.0000 0.0000 51976.3078 -109893.0706 298.7086 -161869.3785 -109531.3270 298.6737 115.4976 139.1877 758763.0418 5.1203 5.0306 PRESSURE: 4472800 -49.6328 -103.564 -275.078 -103.564 -317.823 -98.1727 -275.079 -98.1735 93.8181 GPRESSURE: 4472800 -91.2642 -155.166 -225.598 -109.062 -173.273 -128.694 -164.177 -89.4596 63.0134 PRESSAVG: 4472800 -6.57675 -3.36651 39.1544 -3.3665 -29.64 12.4114 39.1544 12.4114 -18.7771 GPRESSAVG: 4472800 -5.83618 -2.91061 37.1591 -2.72382 -30.5419 12.4472 38.0229 12.8274 -18.6196 TIMING: 4472800 CPU: 14450.1, 0.00312599/step Wall: 14450.1, 0.00312599/step, 0.457784 hours remaining, 234.812500 MB of memory in use. ENERGY: 4472800 3976.7908 20484.1186 14444.1489 246.6884 -203433.5272 2456.7500 0.0000 0.0000 52064.1700 -109760.8606 299.2135 -161825.0305 -109397.4600 298.8815 -91.2124 -67.1744 761113.1017 -18.3313 -18.3325 PRESSURE: 4473000 168.278 -124.855 -128.646 -124.855 138.481 162.318 -128.646 162.317 40.93 GPRESSURE: 4473000 180.997 -65.1176 -137.805 -285.361 295.698 160.501 -128.846 101.934 -49.1785 PRESSAVG: 4473000 63.3827 -27.3872 -10.8045 -27.3872 -32.6738 20.2253 -10.8045 20.2253 11.802 GPRESSAVG: 4473000 62.7444 -28.7379 -10.2173 -26.5397 -30.9983 20.84 -9.95133 19.6645 10.6274 TIMING: 4473000 CPU: 14450.7, 0.00312968/step Wall: 14450.7, 0.00312968/step, 0.45815 hours remaining, 234.953125 MB of memory in use. ENERGY: 4473000 3973.6175 20321.9499 14458.2202 262.1874 -203848.6816 2891.8675 0.0000 0.0000 52188.0522 -109752.7869 299.9255 -161940.8391 -109390.6859 298.9369 115.8964 142.5058 758547.9566 14.1703 14.1245 PRESSURE: 4473200 -158.559 -128.829 37.1428 -128.829 -42.1614 15.5521 37.1434 15.5515 128.092 GPRESSURE: 4473200 -120.224 -175.658 53.2782 -57.0676 61.4319 47.6133 70.0432 26.2761 71.9877 PRESSAVG: 4473200 43.1555 -56.8799 -29.1381 -56.8798 -12.0578 30.8692 -29.1382 30.8692 12.5221 GPRESSAVG: 4473200 43.2696 -54.5659 -29.34 -58.2531 -12.4917 30.7945 -30.2007 31.7467 12.3033 TIMING: 4473200 CPU: 14451.3, 0.00313622/step Wall: 14451.3, 0.00313622/step, 0.458934 hours remaining, 234.953125 MB of memory in use. ENERGY: 4473200 3992.1700 20392.8215 14433.5500 242.6482 -203433.5247 2480.2634 0.0000 0.0000 51866.0079 -110026.0637 298.0747 -161892.0717 -109654.2928 298.2580 -24.2095 4.3984 759752.5696 14.5399 14.3604 PRESSURE: 4473400 -63.7113 -108.302 66.9056 -108.303 5.53611 -61.7196 66.906 -61.7193 -33.7054 GPRESSURE: 4473400 -81.9813 -25.6274 81.6284 -6.40862 34.3341 -40.6047 16.8514 -40.5097 21.8054 PRESSAVG: 4473400 9.98301 -18.3255 -51.7507 -18.3255 -28.4231 58.4728 -51.7507 58.4728 -5.95561 GPRESSAVG: 4473400 10.2636 -19.6602 -52.179 -16.6108 -29.7524 58.6606 -52.2259 55.8423 -4.75632 TIMING: 4473400 CPU: 14451.9, 0.00313008/step Wall: 14451.9, 0.00313008/step, 0.457861 hours remaining, 234.953125 MB of memory in use. ENERGY: 4473400 3993.0677 20531.9592 14350.4824 239.2949 -203476.4765 2515.6673 0.0000 0.0000 51588.7204 -110257.2846 296.4811 -161846.0049 -109896.3957 297.5478 -30.6269 -8.6139 761770.3624 -8.1319 -8.0817 PRESSURE: 4473600 -251.516 -73.1166 179.626 -73.1172 -117.8 -259.602 179.627 -259.601 60.9817 GPRESSURE: 4473600 -148.246 -33.9796 180.975 -89.9721 -103.818 -151.049 177.996 -200.757 32.6479 PRESSAVG: 4473600 52.4281 -8.8599 34.8505 -8.85998 -48.9621 -8.62476 34.8504 -8.62482 -24.5751 GPRESSAVG: 4473600 52.4184 -9.47086 33.8965 -8.86667 -48.0609 -9.06787 36.1814 -6.04264 -25.5589 TIMING: 4473600 CPU: 14452.6, 0.00312316/step Wall: 14452.6, 0.00312316/step, 0.456675 hours remaining, 234.953125 MB of memory in use. ENERGY: 4473600 3958.7188 20419.3432 14403.5987 246.6039 -204063.8587 2744.4466 0.0000 0.0000 52058.7529 -110232.3946 299.1824 -162291.1475 -109867.4015 297.3616 -102.7778 -73.1388 759061.1646 -7.0364 -7.0671 PRESSURE: 4473800 -54.0654 -20.0095 -128.184 -20.0107 -112.432 263.086 -128.185 263.085 38.5277 GPRESSURE: 4473800 7.34053 11.3994 -82.3859 -13.1506 -108.918 270.865 -81.3795 249.235 85.152 PRESSAVG: 4473800 8.4876 -57.0136 10.1837 -57.0136 36.7461 11.9839 10.1837 11.984 -15.9623 GPRESSAVG: 4473800 9.14158 -57.058 12.5941 -57.193 36.4283 12.4017 10.5304 9.93533 -15.4857 TIMING: 4473800 CPU: 14453.2, 0.0031277/step Wall: 14453.2, 0.0031277/step, 0.457166 hours remaining, 234.953125 MB of memory in use. ENERGY: 4473800 3926.9546 20559.1036 14400.2550 254.8086 -203333.9666 2465.7809 0.0000 0.0000 51453.0356 -110274.0284 295.7013 -161727.0639 -109915.1692 297.5245 -42.6567 -5.4751 759887.9223 9.7571 10.0281 PRESSURE: 4474000 -245.582 -102.897 179.992 -102.897 -164.777 278.278 179.992 278.277 12.5988 GPRESSURE: 4474000 -178.322 -220.978 150.769 -119.698 -149.941 412.846 223.501 145.971 17.0415 PRESSAVG: 4474000 -46.4884 -37.414 86.9536 -37.414 74.7818 19.2998 86.9536 19.2997 2.65492 GPRESSAVG: 4474000 -48.3632 -37.8889 85.8814 -38.1833 76.1319 19.5229 85.8686 21.7007 2.58902 TIMING: 4474000 CPU: 14453.8, 0.00311941/step Wall: 14453.8, 0.00311941/step, 0.45578 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4474000 4039.6816 20400.3660 14364.1627 237.6484 -203783.0317 2713.1190 0.0000 0.0000 51696.5841 -110331.4700 297.1010 -162028.0541 -109968.7580 297.6436 -132.5868 -103.7405 759982.9291 10.3161 10.1193 PRESSURE: 4474200 -303.968 -138.339 -232.362 -138.338 190.828 -18.4839 -232.362 -18.485 51.7398 GPRESSURE: 4474200 -201.523 -23.1552 -183.757 -110.062 140.081 27.9493 -173.982 -73.7924 86.4501 PRESSAVG: 4474200 11.5195 -81.5723 24.2021 -81.5723 2.12345 34.5248 24.202 34.5248 3.29265 GPRESSAVG: 4474200 14.9766 -80.8173 23.1699 -80.2893 -0.905405 34.7209 25.5515 31.4908 1.87728 TIMING: 4474200 CPU: 14454.4, 0.00312676/step Wall: 14454.4, 0.00312676/step, 0.456681 hours remaining, 234.953125 MB of memory in use. ENERGY: 4474200 3992.4952 20713.1015 14396.0717 240.5753 -203810.8852 2484.0597 0.0000 0.0000 51578.0370 -110406.5448 296.4197 -161984.5818 -110050.7495 297.2096 -20.4667 8.3361 758753.3550 5.6452 5.3162 PRESSURE: 4474400 -113.487 -119.588 308.797 -119.589 11.3718 257.848 308.797 257.848 -121.126 GPRESSURE: 4474400 -98.021 -62.534 348.24 -38.1829 131.897 199.832 212.506 183.101 -169.289 PRESSAVG: 4474400 28.5126 -26.1157 33.7871 -26.1157 12.1314 7.37891 33.7871 7.37895 -4.21171 GPRESSAVG: 4474400 25.6119 -27.18 33.7938 -26.6347 13.6071 6.9401 31.3456 7.93276 -3.14489 TIMING: 4474400 CPU: 14455.1, 0.00323145/step Wall: 14455.1, 0.00323145/step, 0.471791 hours remaining, 234.953125 MB of memory in use. ENERGY: 4474400 4007.1894 20424.4516 14358.8206 244.9508 -204053.8878 2595.7106 0.0000 0.0000 52047.3938 -110375.3711 299.1171 -162422.7648 -110006.0739 297.6297 -74.4138 -45.1377 759462.8415 12.1441 12.0247 PRESSURE: 4474600 -202.067 119.96 157.96 119.96 -492.191 323.116 157.961 323.116 19.2528 GPRESSURE: 4474600 -58.7065 85.7122 120.574 87.7361 -490.642 335.722 84.1513 310.962 -29.2211 PRESSAVG: 4474600 -44.712 21.5173 66.4685 21.5174 26.5 17.7613 66.4685 17.7613 -12.7504 GPRESSAVG: 4474600 -43.4419 22.844 68.0737 19.8469 26.4762 16.3273 67.579 19.0323 -14.4575 TIMING: 4474600 CPU: 14455.7, 0.00312413/step Wall: 14455.7, 0.00312413/step, 0.455949 hours remaining, 234.953125 MB of memory in use. ENERGY: 4474600 4031.2013 20580.1094 14469.1761 263.9467 -203723.3699 2408.4787 0.0000 0.0000 51722.9422 -110247.5156 297.2525 -161970.4577 -109891.9491 297.3423 -225.0018 -192.8564 760213.0794 -10.3208 -10.4744 PRESSURE: 4474800 -314.213 130.071 116.651 130.072 -219.567 -112.398 116.65 -112.397 -118.737 GPRESSURE: 4474800 -257.222 156.574 107.665 127.363 -182.156 -101.356 119.421 -80.8674 -120.525 PRESSAVG: 4474800 3.12986 -3.53076 21.4317 -3.53075 -9.20163 20.3985 21.4317 20.3985 -17.4112 GPRESSAVG: 4474800 2.07478 -3.04938 20.581 -3.07082 -8.6995 22.2433 20.2585 20.5677 -17.2528 TIMING: 4474800 CPU: 14456.3, 0.00312615/step Wall: 14456.3, 0.00312615/step, 0.456071 hours remaining, 234.953125 MB of memory in use. ENERGY: 4474800 3947.0190 20396.2466 14423.6526 245.8152 -203472.1827 2237.3627 0.0000 0.0000 52066.8834 -110155.2033 299.2291 -162222.0866 -109784.4045 297.8108 -217.5054 -186.6345 759906.8061 -7.8277 -7.9592 PRESSURE: 4475000 -294.751 -138.421 64.3795 -138.42 231.719 -116.636 64.3794 -116.637 -177.233 GPRESSURE: 4475000 -217.95 -102.15 32.6803 42.6453 254.166 -168.483 93.3644 -83.4345 -175.631 PRESSAVG: 4475000 -3.73824 -15.8557 14.3458 -15.8556 -68.2909 22.1318 14.3458 22.1317 -12.832 GPRESSAVG: 4475000 -3.1872 -16.1244 13.5969 -15.824 -69.261 22.5761 14.6435 21.3577 -12.233 TIMING: 4475000 CPU: 14457, 0.00312298/step Wall: 14457, 0.00312298/step, 0.455435 hours remaining, 234.953125 MB of memory in use. ENERGY: 4475000 3924.7846 20596.0658 14420.6552 260.7977 -203464.9875 2259.9930 0.0000 0.0000 51971.3742 -110031.3169 298.6802 -162002.6911 -109667.4665 297.6293 -80.0885 -46.4716 760247.2162 -28.2870 -28.2270 PRESSURE: 4475200 6.36992 47.3413 -271.981 47.3419 -269.209 112.933 -271.982 112.933 -317.066 GPRESSURE: 4475200 4.30683 164.979 -257.313 22.772 -211.417 173.915 -285.705 51.0225 -306.099 PRESSAVG: 4475200 6.00715 26.7313 11.8776 26.7313 -22.6204 -8.89437 11.8776 -8.89446 -8.06345 GPRESSAVG: 4475200 5.29391 26.4925 12.5794 27.8958 -21.8618 -9.29122 13.7126 -9.38397 -7.85291 TIMING: 4475200 CPU: 14457.6, 0.00313089/step Wall: 14457.6, 0.00313089/step, 0.456414 hours remaining, 234.953125 MB of memory in use. ENERGY: 4475200 3969.9326 20537.8831 14474.8871 243.5297 -203382.3251 2341.1910 0.0000 0.0000 51902.5257 -109912.3758 298.2845 -161814.9015 -109553.6475 297.6177 -193.3019 -171.0697 760643.0608 -8.2256 -8.1403 PRESSURE: 4475400 325.218 116.347 -190.077 116.348 -215.186 144.192 -190.077 144.191 -29.3146 GPRESSURE: 4475400 279.934 33.1652 -114.795 243.065 -143.496 125.52 -227.534 40.2003 3.61896 PRESSAVG: 4475400 26.9208 -51.019 -15.6002 -51.019 -11.2468 72.9108 -15.6002 72.9108 1.44526 GPRESSAVG: 4475400 27.2538 -50.9958 -16.3304 -50.6689 -11.5433 72.8713 -14.894 73.3194 0.966041 TIMING: 4475400 CPU: 14458.2, 0.0031202/step Wall: 14458.2, 0.0031202/step, 0.454683 hours remaining, 234.953125 MB of memory in use. ENERGY: 4475400 3958.5591 20591.9722 14461.4788 252.1170 -203664.0060 2686.2045 0.0000 0.0000 51873.8011 -109839.8732 298.1194 -161713.6743 -109478.4967 298.3982 26.9056 46.6856 761787.1295 5.7064 5.5589 PRESSURE: 4475600 200.108 -93.743 67.0513 -93.7428 -183.308 -96.3067 67.0518 -96.3077 9.38548 GPRESSURE: 4475600 272.428 -2.05101 129.706 -78.1396 -140.694 -115.672 83.7467 -116.131 -0.566761 PRESSAVG: 4475600 32.4897 -7.33073 4.76364 -7.33082 -15.6909 12.3418 4.7636 12.3419 2.00674 GPRESSAVG: 4475600 32.1161 -7.63484 5.96067 -8.36936 -14.8343 11.07 2.83132 11.6535 1.57999 TIMING: 4475600 CPU: 14458.8, 0.00312359/step Wall: 14458.8, 0.00312359/step, 0.455002 hours remaining, 234.953125 MB of memory in use. ENERGY: 4475600 3957.3132 20433.0432 14441.6458 231.3035 -202982.4655 2514.8101 0.0000 0.0000 51977.8034 -109426.5462 298.7172 -161404.3496 -109062.0712 298.7461 8.7285 43.7224 762143.4364 6.2685 6.2873 PRESSURE: 4475800 -208.702 -64.6243 186.341 -64.6238 -6.05195 -40.9593 186.342 -40.9583 -29.6405 GPRESSURE: 4475800 -74.847 -149.121 141.137 -45.4541 -14.7808 27.8724 133.21 -52.6523 -78.3825 PRESSAVG: 4475800 -9.46485 8.86067 52.2213 8.86065 -1.55846 27.3462 52.2212 27.3462 39.8983 GPRESSAVG: 4475800 -8.61675 9.0803 52.6138 8.02906 -3.45772 27.9753 53.8015 29.9153 40.5308 TIMING: 4475800 CPU: 14459.5, 0.00312738/step Wall: 14459.5, 0.00312738/step, 0.455382 hours remaining, 234.953125 MB of memory in use. ENERGY: 4475800 3929.2911 20532.6276 14488.2581 243.6515 -203424.2588 2574.5266 0.0000 0.0000 52052.6833 -109603.2206 299.1475 -161655.9039 -109233.8444 298.9122 -81.4648 -56.0034 761248.7828 9.6250 9.4854 PRESSURE: 4476000 -187.711 -84.7181 157.902 -84.7181 -4.81049 -171.08 157.902 -171.08 -152.025 GPRESSURE: 4476000 -179.358 -231.895 123.538 10.202 24.8181 -202.246 233.628 -275.963 -106.195 PRESSAVG: 4476000 22.5584 -32.4498 10.4071 -32.4498 -16.9984 -11.4482 10.4071 -11.4482 -16.3535 GPRESSAVG: 4476000 23.0588 -32.8932 10.4316 -32.4775 -17.5584 -10.5254 10.0162 -13.583 -16.3802 TIMING: 4476000 CPU: 14460.1, 0.00313296/step Wall: 14460.1, 0.00313296/step, 0.45602 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4476000 3956.1247 20473.1596 14480.4357 241.8546 -203284.1447 2364.0811 0.0000 0.0000 51997.7003 -109770.7887 298.8315 -161768.4890 -109404.7381 298.7601 -114.8489 -86.9115 760879.4115 -3.5978 -3.6266 PRESSURE: 4476200 -18.8979 -201.105 -65.5246 -201.105 -375.383 -6.05913 -65.5259 -6.05855 -251.595 GPRESSURE: 4476200 23.1426 -98.8568 -38.3459 -267.078 -337.25 -10.9741 -78.5275 52.0739 -278.135 PRESSAVG: 4476200 0.623525 9.77564 -1.60857 9.7756 -33.0184 -63.7795 -1.60862 -63.7795 -17.4155 GPRESSAVG: 4476200 -1.06216 8.80125 -0.679696 9.15115 -32.6675 -64.4134 -2.98206 -62.5958 -17.0167 TIMING: 4476200 CPU: 14460.7, 0.00312668/step Wall: 14460.7, 0.00312668/step, 0.454932 hours remaining, 234.953125 MB of memory in use. ENERGY: 4476200 4060.9611 20480.9357 14398.8947 261.5204 -203401.9965 2530.3400 0.0000 0.0000 51843.3114 -109826.0330 297.9442 -161669.3445 -109458.6165 298.3897 -215.2920 -197.4142 761555.7042 -16.6035 -16.9155 LDB: ============= START OF LOAD BALANCING ============== 14473.1 LDB: ============== END OF LOAD BALANCING =============== 14473.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14473.1 LDB: ============= START OF LOAD BALANCING ============== 14473.4 LDB: Largest compute 7031 load 0.032782 is 16.8% of average load 0.195591 LDB: Average compute 0.004388 is 2.2% of average load 0.195591 LDB: TIME 14473.4 LOAD: AVG 0.195591 MAX 0.21536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 14473.4 LOAD: AVG 0.195591 MAX 0.21536 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 14473.4 LOAD: AVG 0.195591 MAX 0.21536 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 14473.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14473.5 PRESSURE: 4476400 -138.747 -98.2209 -216.94 -98.2213 114.333 -116.743 -216.939 -116.743 -206.468 GPRESSURE: 4476400 -91.7941 -117.637 -210.638 -158.518 150.614 -275.771 -220.009 -120.879 -196.564 PRESSAVG: 4476400 -7.32259 -26.9514 -8.2402 -26.9514 5.62221 -32.0055 -8.24016 -32.0054 6.52605 GPRESSAVG: 4476400 -7.17704 -24.7494 -9.43025 -25.1099 5.28865 -33.3141 -7.8746 -32.9326 6.35596 TIMING: 4476400 CPU: 14461.3, 0.00317759/step Wall: 14461.3, 0.00317759/step, 0.462163 hours remaining, 235.714844 MB of memory in use. ENERGY: 4476400 3975.5116 20431.9171 14374.5158 240.4358 -203390.2750 2635.4012 0.0000 0.0000 51868.1966 -109864.2970 298.0872 -161732.4936 -109500.9671 298.4255 -76.9608 -45.9147 760219.2739 1.6086 1.4892 PRESSURE: 4476600 -23.805 -256.164 18.4721 -256.164 -409.604 203.227 18.4719 203.227 190.63 GPRESSURE: 4476600 7.62676 -194.793 98.6805 -254.926 -407.767 154.438 11.2662 183.71 217.473 PRESSAVG: 4476600 13.086 -47.7446 43.38 -47.7445 -49.8267 -11.1175 43.38 -11.1174 3.64645 GPRESSAVG: 4476600 12.5876 -47.8994 43.4 -48.6866 -50.3106 -9.36503 42.2474 -13.1298 4.32658 TIMING: 4476600 CPU: 14462, 0.00312868/step Wall: 14462, 0.00312868/step, 0.454875 hours remaining, 235.714844 MB of memory in use. ENERGY: 4476600 4046.9535 20541.0169 14420.4688 232.7939 -203112.8803 2205.6699 0.0000 0.0000 51931.9981 -109733.9793 298.4539 -161665.9773 -109372.5221 298.3231 -80.9265 -60.8892 761848.4788 -11.0314 -11.1321 PRESSURE: 4476800 148.358 9.84886 167.919 9.84887 252.669 -201.708 167.919 -201.708 -153.53 GPRESSURE: 4476800 166.907 -97.4443 116.447 -167.334 286.214 -198.328 198.823 -240.122 -119.055 PRESSAVG: 4476800 -20.5252 -2.08645 -35.132 -2.08648 -17.0342 -17.7581 -35.132 -17.7581 3.65486 GPRESSAVG: 4476800 -20.0657 -3.99433 -33.3332 -1.77455 -16.5983 -19.2803 -32.7767 -15.0249 2.86636 TIMING: 4476800 CPU: 14462.6, 0.00313881/step Wall: 14462.6, 0.00313881/step, 0.456174 hours remaining, 235.714844 MB of memory in use. ENERGY: 4476800 3921.3655 20549.9865 14384.1717 254.7362 -203525.5776 2658.4982 0.0000 0.0000 51947.1507 -109809.6689 298.5410 -161756.8196 -109455.3387 298.3288 82.4990 111.3553 760566.4131 -11.3015 -11.2659 PRESSURE: 4477000 -252.551 114.139 47.0765 114.14 -179.096 126.112 47.0763 126.112 165.585 GPRESSURE: 4477000 -214.796 15.4943 67.1902 50.3895 -160.471 100.605 21.1781 -14.3912 195.387 PRESSAVG: 4477000 -30.7965 -12.7317 12.1431 -12.7317 18.9378 14.8643 12.1431 14.8643 34.8288 GPRESSAVG: 4477000 -30.4914 -11.3045 9.75692 -12.5875 19.7374 16.0715 10.6623 13.1189 33.5072 TIMING: 4477000 CPU: 14463.2, 0.00315173/step Wall: 14463.2, 0.00315173/step, 0.457876 hours remaining, 235.714844 MB of memory in use. ENERGY: 4477000 4024.0168 20398.5839 14383.8375 237.9494 -203252.4849 2605.1859 0.0000 0.0000 51800.3000 -109802.6113 297.6970 -161602.9114 -109434.7014 298.9985 -88.6875 -59.9599 761417.4466 7.6567 7.5844 PRESSURE: 4477200 -328.355 -54.933 -126.911 -54.9332 -370.151 -37.8864 -126.912 -37.8866 78.752 GPRESSURE: 4477200 -295.534 23.8919 -99.596 -24.4252 -244.636 -61.4437 -248.238 -7.9471 11.7143 PRESSAVG: 4477200 35.5272 38.5708 -12.3624 38.5708 25.3381 -25.9572 -12.3624 -25.9572 11.9397 GPRESSAVG: 4477200 36.4982 38.158 -10.8324 38.5994 24.4415 -26.9008 -12.1503 -23.2353 12.1037 TIMING: 4477200 CPU: 14463.9, 0.00313025/step Wall: 14463.9, 0.00313025/step, 0.454582 hours remaining, 235.714844 MB of memory in use. ENERGY: 4477200 3949.0239 20420.2000 14415.9909 245.4372 -203279.1312 2352.5972 0.0000 0.0000 52212.3961 -109683.4860 300.0654 -161895.8821 -109317.5350 298.1834 -206.5846 -176.1520 762317.8844 24.2683 24.3478 PRESSURE: 4477400 -33.7295 29.8383 -9.46879 29.8386 -152.457 40.1032 -9.46922 40.1032 -238.092 GPRESSURE: 4477400 -58.1178 5.96791 0.81859 122.329 -17.1653 -7.42348 -3.38577 -83.4859 -251.373 PRESSAVG: 4477400 -10.002 20.1654 7.03499 20.1654 15.2467 -37.6786 7.03496 -37.6786 -2.43587 GPRESSAVG: 4477400 -10.7599 19.9519 6.69208 20.7893 15.1415 -37.5487 5.25541 -38.5377 -1.8714 TIMING: 4477400 CPU: 14464.5, 0.00312792/step Wall: 14464.5, 0.00312792/step, 0.45407 hours remaining, 235.855469 MB of memory in use. ENERGY: 4477400 3992.8787 20554.7644 14375.9185 266.4529 -202949.6228 2284.7965 0.0000 0.0000 51998.1916 -109476.6202 298.8343 -161474.8118 -109122.7033 298.6817 -141.4262 -108.8852 761644.0500 0.9363 0.8367 PRESSURE: 4477600 246.793 -70.1128 0.478256 -70.1134 242.245 55.0804 0.478772 55.0817 17.9745 GPRESSURE: 4477600 359.554 -153.718 -40.2777 -28.2477 263.185 127.129 66.385 121.236 -40.4728 PRESSAVG: 4477600 49.8994 -0.557723 14.7664 -0.557722 -44.047 -36.1132 14.7664 -36.1132 9.19333 GPRESSAVG: 4477600 50.0025 0.651552 14.6057 -1.4537 -43.26 -36.2034 16.2228 -34.6054 8.33678 TIMING: 4477600 CPU: 14465.1, 0.00314334/step Wall: 14465.1, 0.00314334/step, 0.456134 hours remaining, 235.855469 MB of memory in use. ENERGY: 4477600 3985.2034 20505.5962 14352.8543 267.0403 -203386.8266 2566.0658 0.0000 0.0000 51998.6919 -109711.3747 298.8372 -161710.0666 -109338.0481 298.7361 169.0044 194.0886 760661.9647 5.0152 5.0264 PRESSURE: 4477800 -156.931 -11.755 -198.545 -11.7548 106.867 -142.106 -198.545 -142.106 -14.7593 GPRESSURE: 4477800 -100.026 4.15588 -214.367 -20.8984 72.2206 -157.734 -107.406 -236.758 52.0005 PRESSAVG: 4477800 84.7225 -8.63106 -20.0741 -8.63108 -43.9598 -26.4829 -20.0741 -26.483 -10.5798 GPRESSAVG: 4477800 86.3477 -8.90895 -19.8054 -9.36141 -46.1219 -26.745 -19.5691 -26.7917 -10.0925 TIMING: 4477800 CPU: 14465.7, 0.0031101/step Wall: 14465.7, 0.0031101/step, 0.451137 hours remaining, 236.054688 MB of memory in use. ENERGY: 4477800 3952.1140 20552.5299 14463.6258 239.0347 -203822.0846 2838.1252 0.0000 0.0000 52086.1279 -109690.5271 299.3397 -161776.6550 -109329.5729 298.6640 -21.6079 8.0652 761061.2649 10.0610 10.0444 PRESSURE: 4478000 -233.081 182.632 -312.094 182.633 -310.061 147.78 -312.094 147.781 0.00919095 GPRESSURE: 4478000 -267.97 185.926 -420.207 167.118 -211.417 131.933 -169.966 113.753 45.7745 PRESSAVG: 4478000 3.55171 1.79766 -31.5414 1.79762 -30.191 41.4697 -31.5414 41.4696 8.9128 GPRESSAVG: 4478000 2.95812 1.15796 -33.0672 2.71982 -28.0547 40.5998 -33.0138 42.2765 8.12976 TIMING: 4478000 CPU: 14466.4, 0.00312667/step Wall: 14466.4, 0.00312667/step, 0.453367 hours remaining, 236.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 4099.6748 20638.5482 14398.0029 252.8321 -203484.4270 2739.6841 0.0000 0.0000 51744.1250 -109611.5599 297.3742 -161355.6850 -109256.8710 298.8523 -181.0445 -144.5374 763091.0318 -5.9088 -5.6556 PRESSURE: 4478200 341.968 16.5332 -123.945 16.534 77.8266 -189.839 -123.944 -189.839 165.087 GPRESSURE: 4478200 325.633 -80.085 -82.3352 101.31 223.925 -164.063 -136.469 -155.231 144.47 PRESSAVG: 4478200 6.68544 41.1189 10.7264 41.1189 0.0209369 35.4678 10.7265 35.4679 1.56342 GPRESSAVG: 4478200 7.34446 40.9073 12.2804 40.9521 -0.212111 37.5644 11.0656 34.2009 1.89716 TIMING: 4478200 CPU: 14467, 0.0030946/step Wall: 14467, 0.0030946/step, 0.448546 hours remaining, 236.054688 MB of memory in use. ENERGY: 4478200 4100.6872 20542.7551 14458.1054 250.8972 -203978.6947 3008.6296 0.0000 0.0000 52002.5680 -109615.0522 298.8595 -161617.6202 -109262.1093 298.8333 194.9605 231.3427 760050.0882 2.7566 3.0098 PRESSURE: 4478400 17.8936 28.6872 109.537 28.6865 91.1804 242.687 109.537 242.687 -193.566 GPRESSURE: 4478400 111.342 141.569 68.0073 9.53781 89.8791 253.155 74.7792 170.268 -222.906 PRESSAVG: 4478400 37.8805 13.8755 -26.3661 13.8755 -84.0194 -5.75475 -26.3661 -5.75469 9.77726 GPRESSAVG: 4478400 39.3121 13.5714 -28.2661 12.6736 -84.7855 -5.53465 -24.7918 -7.41652 9.16987 TIMING: 4478400 CPU: 14467.6, 0.00311436/step Wall: 14467.6, 0.00311436/step, 0.451236 hours remaining, 236.054688 MB of memory in use. ENERGY: 4478400 3968.3912 20539.3269 14406.9295 243.3135 -203672.0660 2585.0125 0.0000 0.0000 52033.1873 -109895.9051 299.0354 -161929.0924 -109535.7669 299.1402 -28.1640 -7.2284 761007.0189 -12.1206 -12.1012 PRESSURE: 4478600 103.681 -161.292 46.9989 -161.292 85.4129 -192.277 46.9979 -192.276 -69.7013 GPRESSURE: 4478600 153.582 -125.119 -29.1281 -60.4501 122.487 -169.593 13.0091 -148.905 -74.5782 PRESSAVG: 4478600 2.34764 -8.55808 -42.0701 -8.55807 -24.8438 -18.5597 -42.0701 -18.5597 -22.9289 GPRESSAVG: 4478600 1.83235 -7.72267 -40.6163 -7.39096 -25.7707 -20.2721 -44.202 -18.5137 -21.2053 TIMING: 4478600 CPU: 14468.2, 0.00313014/step Wall: 14468.2, 0.00313014/step, 0.453348 hours remaining, 236.054688 MB of memory in use. ENERGY: 4478600 3996.6533 20493.8642 14387.1670 257.8132 -203443.1883 2423.4188 0.0000 0.0000 51817.8259 -110066.4457 297.7978 -161884.2717 -109693.1497 298.0244 39.7976 67.1637 761137.0045 -15.1417 -15.0479 PRESSURE: 4478800 39.7759 -58.7354 -68.7599 -58.7358 248.735 213.284 -68.7599 213.285 418.879 GPRESSURE: 4478800 126.111 -171.741 10.1306 -24.7894 284.587 139.252 -60.0829 136.445 380.875 PRESSAVG: 4478800 10.2952 -38.8409 -23.4472 -38.841 -7.6999 -14.2949 -23.4472 -14.295 -11.0105 GPRESSAVG: 4478800 9.24357 -40.9243 -22.9389 -37.9179 -6.78653 -12.1493 -21.9736 -13.5565 -10.6355 TIMING: 4478800 CPU: 14468.8, 0.00311602/step Wall: 14468.8, 0.00311601/step, 0.45113 hours remaining, 236.054688 MB of memory in use. ENERGY: 4478800 3985.1869 20437.5758 14422.6116 244.1173 -203756.1311 2710.5488 0.0000 0.0000 52112.9733 -109843.1173 299.4940 -161956.0906 -109480.2658 298.4773 235.7966 263.8577 760093.1390 -2.8050 -2.7262 PRESSURE: 4479000 246.17 -18.4128 -4.07538 -18.4128 -180.871 148.356 -4.07586 148.355 -201.024 GPRESSURE: 4479000 143.002 15.3341 -19.8144 2.64969 -133.718 32.0721 156.421 103.481 -50.6777 PRESSAVG: 4479000 39.2883 24.1176 29.5237 24.1176 -80.618 70.9577 29.5237 70.9577 6.71957 GPRESSAVG: 4479000 38.8293 24.8213 28.8252 22.2418 -80.1425 69.9574 30.6047 70.272 6.51095 TIMING: 4479000 CPU: 14469.5, 0.00311636/step Wall: 14469.5, 0.00311636/step, 0.451007 hours remaining, 236.054688 MB of memory in use. ENERGY: 4479000 3932.5499 20412.2863 14384.2628 246.0548 -203858.7993 2640.4324 0.0000 0.0000 52090.1384 -110153.0747 299.3627 -162243.2131 -109787.6098 298.2626 -45.2418 -13.7979 759210.9267 -11.5367 -11.6007 PRESSURE: 4479200 311.457 -5.72014 45.2242 -5.71995 226.717 -14.9054 45.2243 -14.9056 142.906 GPRESSURE: 4479200 371.892 -24.0549 34.1012 -42.9378 264.701 24.9779 132.017 173.683 103.789 PRESSAVG: 4479200 36.5951 2.9037 2.41543 2.90367 4.39527 45.6873 2.41541 45.6872 18.0627 GPRESSAVG: 4479200 37.8155 3.48255 1.67526 2.82458 3.92501 47.2166 3.54988 48.3761 17.8446 TIMING: 4479200 CPU: 14470.1, 0.00314027/step Wall: 14470.1, 0.00314027/step, 0.454292 hours remaining, 236.054688 MB of memory in use. ENERGY: 4479200 4014.6298 20476.3334 14483.5179 253.9485 -204005.0998 2854.5639 0.0000 0.0000 51763.2897 -110158.8166 297.4843 -161922.1063 -109806.3865 298.0584 227.0269 246.7938 758394.2656 19.6844 19.8617 PRESSURE: 4479400 -31.8104 -78.4763 -4.83748 -78.4765 -205.114 294.743 -4.83757 294.743 -118.191 GPRESSURE: 4479400 15.5188 -44.887 34.1417 -72.1335 -227.347 208.987 64.98 227.497 -49.0173 PRESSAVG: 4479400 -36.204 -39.2284 48.7758 -39.2284 10.8365 25.8801 48.7758 25.8801 -16.6695 GPRESSAVG: 4479400 -36.6687 -39.4214 49.7199 -37.376 11.3942 25.9172 47.2062 24.2364 -16.6238 TIMING: 4479400 CPU: 14470.7, 0.00313445/step Wall: 14470.7, 0.00313445/step, 0.453276 hours remaining, 236.054688 MB of memory in use. ENERGY: 4479400 4050.7930 20499.7019 14485.6644 240.5152 -203413.1534 2446.9305 0.0000 0.0000 51881.1387 -109808.4098 298.1616 -161689.5485 -109446.4955 298.6554 -118.3716 -86.9487 759526.4997 -14.0123 -13.9661 PRESSURE: 4479600 41.2504 192.836 -171.872 192.837 164.815 -92.7418 -171.872 -92.7413 -127.487 GPRESSURE: 4479600 90.5274 106.377 -98.0288 223.65 192.615 -88.0283 -167.459 -150.897 -132.23 PRESSAVG: 4479600 19.7289 -55.9269 -6.13853 -55.9268 -7.70002 -9.3431 -6.13846 -9.34305 2.49027 GPRESSAVG: 4479600 19.5769 -56.2327 -6.02176 -56.3438 -7.06019 -10.9908 -6.9634 -10.5552 2.17117 TIMING: 4479600 CPU: 14471.4, 0.00312844/step Wall: 14471.4, 0.00312844/step, 0.452233 hours remaining, 236.125000 MB of memory in use. ENERGY: 4479600 3941.2611 20497.5742 14382.0899 254.7911 -203769.9307 2827.9642 0.0000 0.0000 52078.3365 -109787.9137 299.2949 -161866.2502 -109428.1964 299.0371 26.1929 50.3040 759758.2018 4.8397 4.8960 PRESSURE: 4479800 -356.887 -30.9962 -142.258 -30.9967 156.062 -56.4058 -142.259 -56.4053 -80.2443 GPRESSURE: 4479800 -164.533 -72.4833 -179.69 47.9838 49.5188 -97.2195 -222.049 30.4334 -56.352 PRESSAVG: 4479800 45.3714 -40.9778 46.8088 -40.9778 -13.5343 42.6643 46.8089 42.6642 -16.8443 GPRESSAVG: 4479800 45.2639 -39.8985 45.8981 -42.0809 -13.2507 43.1192 47.2051 43.4059 -16.547 TIMING: 4479800 CPU: 14472, 0.00314017/step Wall: 14472, 0.00314017/step, 0.453755 hours remaining, 236.125000 MB of memory in use. ENERGY: 4479800 3926.0928 20466.0544 14491.3282 255.5267 -203604.2666 2474.6178 0.0000 0.0000 52062.1484 -109928.4982 299.2019 -161990.6466 -109569.9591 299.0151 -93.6897 -57.1220 761640.6850 4.9976 5.1554 PRESSURE: 4480000 -12.0272 22.324 -49.7156 22.3232 -44.1687 150.728 -49.7155 150.728 107.254 GPRESSURE: 4480000 52.9877 -126.908 -74.0349 25.1163 7.52508 186.142 33.7784 185.066 77.114 PRESSAVG: 4480000 63.0982 -42.1145 50.8222 -42.1145 -56.7593 73.5223 50.8222 73.5222 -8.1703 GPRESSAVG: 4480000 63.5472 -42.8477 51.2358 -43.5113 -57.2987 73.117 52.8631 72.9922 -8.09787 TIMING: 4480000 CPU: 14472.6, 0.00313518/step Wall: 14472.6, 0.00313518/step, 0.45286 hours remaining, 236.125000 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: 4480000 3970.3110 20474.8232 14444.0039 242.1795 -203971.7541 2710.2149 0.0000 0.0000 52089.4087 -110040.8129 299.3585 -162130.2216 -109673.5166 298.5466 17.0193 45.8756 760516.1219 -0.6105 -0.6165 PRESSURE: 4480200 7.86904 -76.5112 -221.148 -76.5113 -239.081 -76.6399 -221.148 -76.6414 -146.29 GPRESSURE: 4480200 -33.914 -77.4563 -277.393 -62.4046 -159.803 -157.268 -114.948 153.431 -103.227 PRESSAVG: 4480200 20.3294 -47.8281 38.1062 -47.8281 11.5516 7.13706 38.1061 7.13704 3.96508 GPRESSAVG: 4480200 18.2785 -48.5765 37.6595 -46.1204 13.0716 6.38514 36.713 9.54771 4.78157 TIMING: 4480200 CPU: 14473.2, 0.0031327/step Wall: 14473.2, 0.0031327/step, 0.452327 hours remaining, 236.125000 MB of memory in use. ENERGY: 4480200 3996.3750 20361.2084 14493.0622 245.6974 -203355.3550 2542.0604 0.0000 0.0000 51695.0698 -110021.8818 297.0923 -161716.9516 -109656.3576 298.2433 -125.8339 -98.9815 762469.9827 11.9487 12.0439 LDB: ============= START OF LOAD BALANCING ============== 14485.7 LDB: ============== END OF LOAD BALANCING =============== 14485.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14485.7 LDB: ============= START OF LOAD BALANCING ============== 14486 LDB: Largest compute 7068 load 0.034356 is 17.6% of average load 0.195567 LDB: Average compute 0.004392 is 2.2% of average load 0.195567 LDB: TIME 14486 LOAD: AVG 0.195567 MAX 0.215088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 14486 LOAD: AVG 0.195567 MAX 0.215088 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 14486 LOAD: AVG 0.195567 MAX 0.215088 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 14486 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14486 PRESSURE: 4480400 -210.012 143.804 42.4584 143.805 -45.5682 -48.9313 42.458 -48.9309 -208.164 GPRESSURE: 4480400 -114.377 70.3907 56.2475 182.688 -92.7106 -9.47042 -77.5198 6.84104 -195.059 PRESSAVG: 4480400 22.129 -36.2238 33.8456 -36.2238 -52.8793 32.1226 33.8456 32.1226 8.95275 GPRESSAVG: 4480400 24.4091 -34.4365 34.2594 -36.8539 -54.9778 34.9066 34.2926 30.9777 9.03862 TIMING: 4480400 CPU: 14473.9, 0.00321155/step Wall: 14473.9, 0.00321155/step, 0.463533 hours remaining, 237.894531 MB of memory in use. ENERGY: 4480400 3920.0340 20526.0690 14478.1993 239.1383 -203817.4935 2798.5651 0.0000 0.0000 51916.0085 -109939.4791 298.3620 -161855.4876 -109586.7285 298.0122 -154.5811 -134.0488 760272.8350 -7.2658 -7.1767 PRESSURE: 4480600 -88.5002 0.717696 -32.7695 0.717144 -163.206 33.4734 -32.7704 33.4737 -290.983 GPRESSURE: 4480600 -137.142 27.3157 -37.9559 -41.7598 -69.8858 8.14666 -79.5078 -34.9962 -246.104 PRESSAVG: 4480600 44.348 38.7433 43.5591 38.7434 -0.990011 61.4674 43.559 61.4674 6.29257 GPRESSAVG: 4480600 41.3936 38.015 42.7704 41.8109 1.71353 62.2976 42.1628 58.0483 6.44437 TIMING: 4480600 CPU: 14474.5, 0.0031283/step Wall: 14474.5, 0.00312831/step, 0.451345 hours remaining, 237.964844 MB of memory in use. ENERGY: 4480600 3934.8778 20273.9279 14417.9824 232.4043 -203140.9423 2249.2086 0.0000 0.0000 52259.2510 -109773.2903 300.3346 -162032.5412 -109405.3292 298.5886 -180.8962 -151.0439 760594.8915 16.5502 16.5172 PRESSURE: 4480800 -468.527 377.022 -165.939 377.023 -271.135 -50.9575 -165.94 -50.9594 -93.2028 GPRESSURE: 4480800 -374.482 355.597 -149.177 356.63 -293.151 -92.5107 -119.125 -146.853 -75.4821 PRESSAVG: 4480800 -21.8935 36.5235 42.6693 36.5234 15.8656 -22.5279 42.6693 -22.5279 -8.54323 GPRESSAVG: 4480800 -19.9905 35.7105 41.7391 34.2895 14.613 -25.0432 45.7556 -20.9252 -8.77915 TIMING: 4480800 CPU: 14475.1, 0.0031359/step Wall: 14475.1, 0.0031359/step, 0.452266 hours remaining, 237.964844 MB of memory in use. ENERGY: 4480800 4034.4488 20454.7925 14470.4032 245.3317 -203393.4065 2287.2058 0.0000 0.0000 52165.5705 -109735.6541 299.7963 -161901.2246 -109383.9931 299.1164 -277.6217 -247.7049 759499.0332 -4.8570 -4.7189 PRESSURE: 4481000 -127.151 -43.4522 -18.3716 -43.4526 -24.1602 91.5474 -18.3724 91.5481 -110.81 GPRESSURE: 4481000 -56.9388 -132.132 -15.7628 -32.7179 -54.2 74.3488 -25.8172 81.6285 -78.8373 PRESSAVG: 4481000 -0.909152 -19.6239 16.5278 -19.6239 -9.795 10.1114 16.5278 10.1114 -18.1286 GPRESSAVG: 4481000 0.693364 -19.8932 19.4393 -19.8081 -10.4822 11.4466 15.249 10.6777 -19.4021 TIMING: 4481000 CPU: 14475.8, 0.00313015/step Wall: 14475.8, 0.00313015/step, 0.451263 hours remaining, 237.964844 MB of memory in use. ENERGY: 4481000 4043.0536 20542.3172 14431.1490 261.2962 -203467.7638 2222.1409 0.0000 0.0000 52340.1165 -109627.6904 300.7994 -161967.8068 -109256.0216 299.6645 -87.3735 -63.3254 760173.4187 -9.6109 -9.7303 PRESSURE: 4481200 -171.695 -125.8 -163.672 -125.8 -398.604 55.7901 -163.673 55.7914 -175.025 GPRESSURE: 4481200 -190.112 -158.434 -111.841 -6.38159 -270.623 103.078 -55.1526 40.5907 -182.296 PRESSAVG: 4481200 47.893 1.20401 -33.7781 1.20407 -33.8141 7.5606 -33.7781 7.56051 10.9056 GPRESSAVG: 4481200 45.9208 1.93987 -34.1736 2.76203 -33.6696 7.79824 -35.1776 7.4432 12.8551 TIMING: 4481200 CPU: 14476.4, 0.00313488/step Wall: 14476.4, 0.00313488/step, 0.451772 hours remaining, 237.964844 MB of memory in use. ENERGY: 4481200 4035.7202 20623.7668 14394.5912 250.1404 -203143.2167 2254.2922 0.0000 0.0000 52117.5986 -109467.1073 299.5206 -161584.7059 -109105.2971 299.8422 -248.4413 -214.3436 758961.8259 8.3282 8.3688 PRESSURE: 4481400 -366.447 -33.1468 109.694 -33.147 -141.189 -327.508 109.694 -327.508 -246.777 GPRESSURE: 4481400 -265.867 41.1378 198.247 43.8451 -170.47 -364.42 -25.5343 -258 -244.511 PRESSAVG: 4481400 -11.7633 17.0598 -8.81427 17.0598 -3.81241 4.87684 -8.81422 4.87688 -12.8 GPRESSAVG: 4481400 -11.6881 17.1089 -9.30224 17.1431 -2.85479 4.96722 -7.46806 5.1307 -13.88 TIMING: 4481400 CPU: 14477, 0.00315833/step Wall: 14477, 0.00315833/step, 0.454974 hours remaining, 237.964844 MB of memory in use. ENERGY: 4481400 4002.3108 20436.5102 14396.2310 252.7309 -203332.8111 2295.6432 0.0000 0.0000 52236.0772 -109713.3078 300.2015 -161949.3850 -109353.1563 299.6782 -251.4710 -226.9494 762209.6684 -9.4586 -9.4743 PRESSURE: 4481600 116.2 187.803 74.45 187.803 -182.865 249.878 74.4502 249.879 -135.858 GPRESSURE: 4481600 163.676 254.814 -39.3282 126.564 -173.668 146.663 125.427 81.6002 -96.9735 PRESSAVG: 4481600 1.023 12.218 9.97221 12.2181 -4.2742 15.5793 9.97225 15.5793 2.50129 GPRESSAVG: 4481600 1.9394 12.209 9.75854 10.7069 -4.96618 13.5694 8.38949 15.879 2.07009 TIMING: 4481600 CPU: 14477.6, 0.00313946/step Wall: 14477.6, 0.00313946/step, 0.452082 hours remaining, 237.964844 MB of memory in use. ENERGY: 4481600 3915.1296 20552.2088 14397.6590 244.4774 -203617.5187 2320.9762 0.0000 0.0000 52234.0391 -109953.0285 300.1897 -162187.0676 -109585.8329 298.6919 -67.5076 -35.6551 759775.5582 -0.2500 -0.3189 PRESSURE: 4481800 -216.449 63.0762 -64.144 63.0756 -98.6621 -36.1968 -64.1443 -36.1957 -41.3675 GPRESSURE: 4481800 -120.899 37.8805 -121.966 111.481 -84.3408 -1.84871 33.9916 -17.4729 -50.5851 PRESSAVG: 4481800 33.6924 -20.8235 -5.45883 -20.8236 -35.7827 -61.8387 -5.4588 -61.8386 10.6704 GPRESSAVG: 4481800 33.9306 -21.9575 -4.11857 -19.837 -35.0949 -61.5502 -5.86654 -60.9326 10.3109 TIMING: 4481800 CPU: 14478.3, 0.00311025/step Wall: 14478.3, 0.00311025/step, 0.447703 hours remaining, 237.964844 MB of memory in use. ENERGY: 4481800 4036.7310 20442.6720 14446.5252 236.1003 -203716.0294 2618.6653 0.0000 0.0000 52209.0287 -109726.3068 300.0460 -161935.3355 -109355.9521 298.8527 -118.8261 -85.2749 759854.6102 2.8600 3.0488 PRESSURE: 4482000 23.7499 151.071 -29.963 151.071 -109.683 90.24 -29.9627 90.2391 222.285 GPRESSURE: 4482000 171.011 63.6467 -71.4592 70.6109 -123.658 51.9608 -104.09 15.3632 170.528 PRESSAVG: 4482000 -5.06638 -5.87415 -23.6565 -5.87411 -27.6812 9.34884 -23.6564 9.34892 14.4424 GPRESSAVG: 4482000 -4.68123 -6.3116 -25.0201 -5.74398 -28.4116 10.8416 -22.6657 7.85547 14.9317 TIMING: 4482000 CPU: 14478.9, 0.00311649/step Wall: 14478.9, 0.00311649/step, 0.448428 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4482000 3938.8838 20437.5152 14433.5801 261.9484 -203660.6991 2633.6013 0.0000 0.0000 52158.2652 -109796.9051 299.7543 -161955.1703 -109437.6697 299.2483 45.4506 72.6271 760709.7810 -6.1017 -6.0537 PRESSURE: 4482200 -153.002 -129.766 144.016 -129.767 268.288 -403.801 144.017 -403.801 -109.711 GPRESSURE: 4482200 -58.2411 21.483 181.745 -11.8651 219.391 -374.767 109.253 -291.768 -69.6621 PRESSAVG: 4482200 11.4038 -18.813 13.4048 -18.813 -29.1983 49.2327 13.4047 49.2327 15.6431 GPRESSAVG: 4482200 10.899 -17.0488 13.4311 -18.9308 -28.1898 49.1773 13.9236 49.8173 15.7339 TIMING: 4482200 CPU: 14479.5, 0.00313391/step Wall: 14479.5, 0.00313391/step, 0.450761 hours remaining, 237.964844 MB of memory in use. ENERGY: 4482200 3998.0092 20508.6689 14439.4942 235.3116 -203836.8020 2738.3396 0.0000 0.0000 51869.8886 -110047.0899 298.0970 -161916.9785 -109702.0695 298.7492 1.8583 30.4958 759048.2496 -0.7171 -0.5190 PRESSURE: 4482400 -21.3688 106.232 -249.616 106.232 0.238531 -11.7188 -249.617 -11.7189 -99.5449 GPRESSURE: 4482400 37.7341 88.1559 -218.619 -45.9617 5.52585 11.7633 -248.474 -14.6266 -81.686 PRESSAVG: 4482400 -59.2604 -35.2038 5.76338 -35.2037 70.2135 52.269 5.76348 52.269 -16.0269 GPRESSAVG: 4482400 -59.5843 -34.9924 4.42292 -35.0314 69.4836 53.3272 6.52203 51.7417 -15.3636 TIMING: 4482400 CPU: 14480.1, 0.00314573/step Wall: 14480.1, 0.00314573/step, 0.452286 hours remaining, 237.964844 MB of memory in use. ENERGY: 4482400 3992.2322 20520.0855 14361.7441 223.4355 -203695.7073 2679.6157 0.0000 0.0000 52091.5659 -109827.0283 299.3709 -161918.5943 -109465.4261 298.8075 -40.2250 -12.8087 759432.9914 -1.6913 -1.8214 PRESSURE: 4482600 -76.3448 60.6551 -9.14318 60.6552 16.4482 -62.0254 -9.14351 -62.0263 -268.767 GPRESSURE: 4482600 -33.1801 111.114 -30.1459 54.9474 11.2887 -136.658 17.1012 -86.8198 -229.281 PRESSAVG: 4482600 -13.9241 25.166 -2.38927 25.166 -7.09445 28.9631 -2.38933 28.9631 -12.5778 GPRESSAVG: 4482600 -13.9017 23.9398 -0.878127 24.3388 -7.21272 27.1596 -5.14259 27.3482 -12.7395 TIMING: 4482600 CPU: 14480.8, 0.00315471/step Wall: 14480.8, 0.00315471/step, 0.453403 hours remaining, 237.964844 MB of memory in use. ENERGY: 4482600 4039.0442 20475.1623 14491.8436 243.2499 -203433.3495 2436.3152 0.0000 0.0000 52143.5178 -109604.2166 299.6695 -161747.7344 -109232.8214 299.1230 -109.5545 -83.7242 760410.3647 -11.1988 -11.2846 PRESSURE: 4482800 2.42539 7.83186 -189.551 7.83208 86.2841 85.6243 -189.552 85.6238 16.5475 GPRESSURE: 4482800 -110.329 -54.0185 -212.372 28.0042 197.362 92.7957 -179.756 100.707 96.2871 PRESSAVG: 4482800 12.9721 -11.5483 2.10491 -11.5483 -20.3077 30.0668 2.10488 30.0667 6.23434 GPRESSAVG: 4482800 13.3678 -12.6087 0.403687 -10.5437 -19.8514 29.9973 3.117 33.1237 5.74094 TIMING: 4482800 CPU: 14481.4, 0.0031446/step Wall: 14481.4, 0.0031446/step, 0.451774 hours remaining, 237.964844 MB of memory in use. ENERGY: 4482800 3948.3193 20632.5530 14440.2857 241.1850 -203146.6964 2264.9877 0.0000 0.0000 52103.9541 -109515.4117 299.4421 -161619.3657 -109149.0189 299.7501 35.0857 61.1067 760029.8351 -0.3671 -0.2476 PRESSURE: 4483000 293.785 101.838 93.7084 101.839 -52.8678 -29.3476 93.7082 -29.348 -0.336289 GPRESSURE: 4483000 269.352 180.067 66.3371 -15.4146 -52.7221 -46.0008 50.4304 -77.715 106.391 PRESSAVG: 4483000 56.36 -32.9034 7.89806 -32.9034 0.62573 11.081 7.89805 11.0809 -0.568958 GPRESSAVG: 4483000 55.3452 -32.1169 8.48924 -32.265 1.00998 11.6845 9.22854 10.4741 0.726566 TIMING: 4483000 CPU: 14482, 0.00314797/step Wall: 14482, 0.00314797/step, 0.452084 hours remaining, 237.964844 MB of memory in use. ENERGY: 4483000 3991.4118 20583.6834 14500.3385 248.6964 -203313.8356 2356.0371 0.0000 0.0000 52110.3802 -109523.2882 299.4791 -161633.6684 -109171.1404 298.9259 80.1938 107.6737 761131.4609 18.8056 19.0273 PRESSURE: 4483200 -336.817 35.0557 16.4331 35.0548 10.3078 99.5823 16.4333 99.5829 385.782 GPRESSURE: 4483200 -166.749 24.3285 -36.2216 7.1276 -92.2995 53.9394 30.8136 73.4224 402.11 PRESSAVG: 4483200 -31.6639 -43.0926 55.2278 -43.0927 -3.13246 -16.0433 55.2279 -16.0433 6.94226 GPRESSAVG: 4483200 -30.1178 -43.9948 54.9418 -44.1903 -4.59096 -17.1166 54.8542 -19.5341 6.95341 TIMING: 4483200 CPU: 14482.7, 0.00314013/step Wall: 14482.7, 0.00314013/step, 0.450783 hours remaining, 237.964844 MB of memory in use. ENERGY: 4483200 3959.9362 20558.8054 14465.8609 241.4797 -203374.1327 2623.3211 0.0000 0.0000 51756.0370 -109768.6924 297.4427 -161524.7294 -109402.8277 299.1291 19.7576 47.6870 761111.6931 -9.2847 -9.2518 PRESSURE: 4483400 -175.208 118.922 186.696 118.921 -209.078 -96.852 186.696 -96.8522 -165.781 GPRESSURE: 4483400 -166.009 19.0907 160.298 53.7727 -166.444 -46.6553 30.6309 -71.3785 -125.819 PRESSAVG: 4483400 65.0041 -15.2082 42.5263 -15.2082 -26.2631 0.326488 42.5262 0.326443 -8.9187 GPRESSAVG: 4483400 65.1365 -14.3936 44.0179 -15.4903 -26.5466 1.15292 41.9152 4.3754 -8.5502 TIMING: 4483400 CPU: 14483.3, 0.00313427/step Wall: 14483.3, 0.00313427/step, 0.449768 hours remaining, 237.964844 MB of memory in use. ENERGY: 4483400 3949.1373 20506.3387 14399.3289 246.3745 -203494.1172 2525.2701 0.0000 0.0000 52011.1073 -109856.5604 298.9085 -161867.6677 -109498.7694 298.6391 -183.3556 -152.7573 761262.7063 9.9408 10.0132 PRESSURE: 4483600 130.586 41.9049 -47.6517 41.9052 -297.758 -135.139 -47.6521 -135.139 -127.042 GPRESSURE: 4483600 132.197 49.4565 -47.8187 10.7922 -196.667 -120.445 -8.39849 -99.8015 -121.728 PRESSAVG: 4483600 -13.5118 -3.09967 5.65727 -3.09964 -27.2707 1.35688 5.65727 1.35687 4.70238 GPRESSAVG: 4483600 -14.7511 -1.85174 4.51866 -3.12829 -26.0184 3.75931 6.82771 0.775137 5.18569 TIMING: 4483600 CPU: 14483.9, 0.00312696/step Wall: 14483.9, 0.00312696/step, 0.448545 hours remaining, 237.964844 MB of memory in use. ENERGY: 4483600 4083.1802 20546.7218 14377.6819 241.5667 -203377.4889 2609.8592 0.0000 0.0000 51737.9924 -109780.4865 297.3390 -161518.4790 -109425.9261 298.4499 -98.0714 -62.0663 761071.8789 -12.0267 -11.8613 PRESSURE: 4483800 300.045 -124.626 -197.402 -124.626 63.1121 224.376 -197.403 224.377 177.462 GPRESSURE: 4483800 325.467 -120.941 -178.839 -60.9931 121.245 156.609 -78.1587 200.452 176.51 PRESSAVG: 4483800 28.237 -2.31477 -30.831 -2.31479 -39.4425 36.1238 -30.831 36.1237 -11.7226 GPRESSAVG: 4483800 29.5584 -3.65098 -29.7251 -0.0429992 -40.2549 32.0758 -31.7238 35.0942 -12.4091 TIMING: 4483800 CPU: 14484.5, 0.00313683/step Wall: 14484.5, 0.00313683/step, 0.449786 hours remaining, 237.964844 MB of memory in use. ENERGY: 4483800 3924.4056 20559.6789 14440.8051 247.9902 -203407.5511 2485.4254 0.0000 0.0000 52074.5592 -109674.6867 299.2732 -161749.2459 -109310.4799 298.7407 180.2062 207.7403 759419.2729 -7.6427 -7.7019 PRESSURE: 4484000 -99.3309 14.5757 73.466 14.5758 -75.4785 -96.7981 73.4666 -96.7987 -21.373 GPRESSURE: 4484000 -125.347 -34.1948 81.6899 37.7283 -23.6108 -61.9133 59.5419 -112.829 16.0273 PRESSAVG: 4484000 -1.04987 -41.1511 -17.3144 -41.1511 -36.8371 -1.3885 -17.3144 -1.3885 16.7118 GPRESSAVG: 4484000 -1.76656 -40.4783 -16.9602 -44.057 -36.6714 0.979942 -17.6895 -3.12362 17.1029 TIMING: 4484000 CPU: 14485.2, 0.00313849/step Wall: 14485.2, 0.00313849/step, 0.44985 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4484000 3987.6531 20524.9479 14515.2432 221.9398 -203582.8993 2750.0283 0.0000 0.0000 51965.6230 -109617.4640 298.6471 -161583.0871 -109241.2329 299.0937 -65.3941 -44.3100 760442.8428 -7.0584 -7.1117 PRESSURE: 4484200 158.802 -39.4377 -35.1387 -39.4377 -83.4258 128.684 -35.1377 128.684 -28.9877 GPRESSURE: 4484200 122.407 -18.5411 2.89089 -70.5629 6.92786 153.773 -0.429076 110.085 -3.97436 PRESSAVG: 4484200 17.4997 -35.0799 7.54261 -35.0799 -2.44999 -37.2425 7.54258 -37.2425 -9.95466 GPRESSAVG: 4484200 16.5543 -33.2607 6.50088 -35.9167 -1.13495 -38.4635 8.79881 -35.5686 -10.7004 TIMING: 4484200 CPU: 14485.8, 0.00312705/step Wall: 14485.8, 0.00312705/step, 0.448036 hours remaining, 237.964844 MB of memory in use. ENERGY: 4484200 4016.7361 20610.5866 14486.3723 245.0162 -203710.6399 2495.1216 0.0000 0.0000 52261.5468 -109595.2601 300.3478 -161856.8070 -109237.8647 299.8147 15.4628 41.7868 759551.7047 1.6983 1.5730 LDB: ============= START OF LOAD BALANCING ============== 14498.2 LDB: ============== END OF LOAD BALANCING =============== 14498.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14498.2 LDB: ============= START OF LOAD BALANCING ============== 14498.5 LDB: Largest compute 7068 load 0.033600 is 17.2% of average load 0.195544 LDB: Average compute 0.004409 is 2.3% of average load 0.195544 LDB: TIME 14498.5 LOAD: AVG 0.195544 MAX 0.215747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.824 MB LDB: TIME 14498.5 LOAD: AVG 0.195544 MAX 0.215747 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: TIME 14498.5 LOAD: AVG 0.195544 MAX 0.215747 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: ============== END OF LOAD BALANCING =============== 14498.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14498.5 PRESSURE: 4484400 164.223 -10.6084 -200.411 -10.6083 5.52318 75.2042 -200.411 75.2042 252.173 GPRESSURE: 4484400 235.298 -60.8751 -290.789 -55.1944 66.9709 -1.98138 -274.576 231.992 221.472 PRESSAVG: 4484400 11.774 -1.98582 -40.4344 -1.98578 -43.6095 47.099 -40.4344 47.099 -5.32058 GPRESSAVG: 4484400 12.3479 -2.83453 -40.443 0.038469 -45.1625 46.6773 -40.341 47.5409 -4.88953 TIMING: 4484400 CPU: 14486.4, 0.00321091/step Wall: 14486.4, 0.00321091/step, 0.459874 hours remaining, 235.046875 MB of memory in use. ENERGY: 4484400 3956.1479 20623.0031 14506.2167 253.3040 -203518.0634 2632.1101 0.0000 0.0000 51900.6879 -109646.5937 298.2740 -161547.2816 -109295.1890 299.8292 140.6396 174.5804 758561.3793 -12.3854 -12.5680 PRESSURE: 4484600 356.068 -252.249 209.784 -252.248 -27.6657 109.474 209.783 109.475 -34.9113 GPRESSURE: 4484600 364.094 -279.611 188.208 -201.105 11.0516 49.1322 181.892 82.5984 37.8584 PRESSAVG: 4484600 64.0888 -38.6253 57.3268 -38.6252 -52.6667 15.6559 57.3268 15.6559 21.1729 GPRESSAVG: 4484600 63.3026 -39.8635 58.3228 -38.0528 -51.7748 14.9027 57.5344 13.7677 21.512 TIMING: 4484600 CPU: 14487.1, 0.00313049/step Wall: 14487.1, 0.00313049/step, 0.448182 hours remaining, 235.593750 MB of memory in use. ENERGY: 4484600 3987.5402 20599.5846 14477.1321 255.9395 -203908.4966 2697.3489 0.0000 0.0000 52195.3077 -109695.6435 299.9672 -161890.9512 -109346.3252 299.4154 97.8304 137.6680 757450.4638 10.8650 11.0132 PRESSURE: 4484800 -239.866 66.9969 2.07889 66.996 -302.84 47.1908 2.07929 47.1905 -196.169 GPRESSURE: 4484800 -257.595 67.688 -47.2965 -43.2372 -284.829 21.2625 51.3114 23.0885 -96.7679 PRESSAVG: 4484800 70.7107 -41.4493 92.5622 -41.4493 -85.1973 5.61389 92.5622 5.61388 -3.28492 GPRESSAVG: 4484800 72.6423 -38.746 91.796 -42.1126 -86.535 5.37179 90.235 6.76921 -3.67063 TIMING: 4484800 CPU: 14487.7, 0.00313967/step Wall: 14487.7, 0.00313967/step, 0.449322 hours remaining, 235.593750 MB of memory in use. ENERGY: 4484800 4055.1468 20499.3134 14458.7871 239.7631 -203420.6492 2332.4289 0.0000 0.0000 52182.6167 -109652.5932 299.8942 -161835.2099 -109291.8698 299.5307 -246.2914 -213.0639 758993.9685 -5.9238 -5.8544 PRESSURE: 4485000 21.0379 48.1384 102.19 48.138 -103.621 -98.6366 102.191 -98.6374 -392.631 GPRESSURE: 4485000 107.853 -31.3337 140.343 74.4403 -62.4368 -108.641 222.794 -88.9638 -431.506 PRESSAVG: 4485000 7.46373 -52.6251 48.8018 -52.6251 -12.7678 25.4671 48.8018 25.4671 -11.9557 GPRESSAVG: 4485000 7.20385 -55.7564 48.7699 -51.5604 -12.1608 26.7123 51.833 24.4822 -13.063 TIMING: 4485000 CPU: 14488.3, 0.00312418/step Wall: 14488.3, 0.00312418/step, 0.446931 hours remaining, 235.593750 MB of memory in use. ENERGY: 4485000 4029.3784 20443.7187 14475.6759 259.6535 -203544.0303 2433.2932 0.0000 0.0000 52085.7663 -109816.5443 299.3376 -161902.3105 -109457.2858 298.8174 -158.4049 -128.6967 759960.2603 -5.7533 -6.0067 PRESSURE: 4485200 24.5356 -118.003 114.433 -118.004 314.509 -160.277 114.433 -160.278 -117.593 GPRESSURE: 4485200 12.9321 -142.182 136.129 -120.848 298.226 -125.794 0.953736 -205.35 -2.96295 PRESSAVG: 4485200 79.7645 -3.21004 35.4405 -3.21005 -59.7761 -43.5515 35.4406 -43.5516 28.7899 GPRESSAVG: 4485200 77.9143 -1.8227 35.2073 -4.18907 -59.1907 -43.8518 33.6651 -42.8457 30.2747 TIMING: 4485200 CPU: 14488.9, 0.00315305/step Wall: 14488.9, 0.00315305/step, 0.450887 hours remaining, 235.593750 MB of memory in use. ENERGY: 4485200 3950.4460 20636.5362 14442.1664 227.2116 -203727.1329 2606.2421 0.0000 0.0000 51945.2294 -109919.3012 298.5299 -161864.5306 -109551.4597 298.8605 73.8171 102.7317 761178.6032 16.2594 16.3328 PRESSURE: 4485400 -183.878 -114.262 4.31343 -114.263 -160.388 -168.745 4.31459 -168.746 -296.064 GPRESSURE: 4485400 -46.9281 -49.4003 -52.9388 -40.9375 -234.781 -139.517 -69.8139 -207.762 -262.537 PRESSAVG: 4485400 65.186 -33.8765 55.1848 -33.8766 -15.4505 -36.6096 55.1848 -36.6097 -3.70993 GPRESSAVG: 4485400 65.4236 -33.5123 54.5901 -34.0795 -16.0426 -35.396 55.7257 -36.3276 -3.67117 TIMING: 4485400 CPU: 14489.6, 0.00313233/step Wall: 14489.6, 0.00313233/step, 0.447749 hours remaining, 235.664062 MB of memory in use. ENERGY: 4485400 4061.9183 20409.9653 14495.0667 239.8257 -203810.2293 2794.8038 0.0000 0.0000 51920.1285 -109888.5211 298.3857 -161808.6496 -109526.3989 298.8728 -213.4436 -181.4154 762196.0227 15.3419 15.2366 PRESSURE: 4485600 187.172 69.3035 83.4573 69.3036 59.8868 -29.8786 83.4573 -29.8773 140.148 GPRESSURE: 4485600 244.347 52.7826 33.3164 25.353 106.248 -37.486 120.889 -29.9932 131.432 PRESSAVG: 4485600 25.9464 -24.5236 58.609 -24.5236 -49.7687 -23.6543 58.609 -23.6543 14.6915 GPRESSAVG: 4485600 27.9915 -24.7578 59.0715 -23.5911 -50.1575 -24.4018 58.0862 -23.4355 12.8998 TIMING: 4485600 CPU: 14490.2, 0.00313228/step Wall: 14490.2, 0.00313228/step, 0.447568 hours remaining, 235.664062 MB of memory in use. ENERGY: 4485600 4045.9301 20560.0571 14453.0464 246.1232 -204096.0551 2934.5097 0.0000 0.0000 52111.8095 -109744.5791 299.4873 -161856.3886 -109383.2327 298.6367 129.0690 160.6757 761119.7819 -3.0436 -3.0887 PRESSURE: 4485800 -6.28225 67.1026 -146.531 67.1027 -50.4646 -238.379 -146.531 -238.38 625.506 GPRESSURE: 4485800 -84.8466 -107.67 -55.8691 -134.647 98.8541 -189.272 -107.697 -239.386 628.423 PRESSAVG: 4485800 20.6613 -49.8077 -15.3984 -49.8077 12.9651 7.06527 -15.3984 7.06533 13.297 GPRESSAVG: 4485800 18.4196 -49.4188 -14.8303 -50.8659 14.1204 8.21663 -15.6153 7.44529 14.6721 TIMING: 4485800 CPU: 14490.8, 0.00314642/step Wall: 14490.8, 0.00314642/step, 0.449413 hours remaining, 235.664062 MB of memory in use. ENERGY: 4485800 3984.5408 20452.8403 14482.6822 260.3348 -203463.3330 2723.6203 0.0000 0.0000 51911.8510 -109647.4635 298.3381 -161559.3145 -109281.3783 298.9083 189.5863 214.1437 761889.7124 15.6411 15.7374 PRESSURE: 4486000 -286.703 -36.829 77.9997 -36.8282 -439.192 -13.6624 78.0001 -13.6624 -59.1991 GPRESSURE: 4486000 -180.618 38.5772 77.8374 -69.6584 -449.766 -2.80475 133.223 -2.02764 -77.8436 PRESSAVG: 4486000 55.3871 -6.33512 21.5965 -6.33515 -49.2682 -20.5126 21.5964 -20.5125 1.61172 GPRESSAVG: 4486000 55.1479 -4.9643 21.1432 -7.30698 -49.555 -21.8143 21.11 -21.9045 1.96441 TIMING: 4486000 CPU: 14491.5, 0.00312526/step Wall: 14491.5, 0.00312526/step, 0.446218 hours remaining, 235.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4486000 3987.9147 20443.3655 14494.1754 248.0063 -203346.1096 2515.6460 0.0000 0.0000 51843.4390 -109813.5626 297.9450 -161657.0016 -109456.4850 298.6212 -261.6981 -236.0758 763936.9478 2.5769 2.5191 PRESSURE: 4486200 55.4888 114.628 327.171 114.628 101.255 262.877 327.171 262.877 195.139 GPRESSURE: 4486200 230.201 22.9975 299.005 141.76 4.51699 204.181 205.246 250.097 204.24 PRESSAVG: 4486200 35.8402 -89.9336 66.9127 -89.9336 -17.7213 -43.7598 66.9127 -43.7598 14.7803 GPRESSAVG: 4486200 38.4371 -92.4756 68.0811 -87.8027 -18.098 -42.8833 66.4104 -42.2793 13.2398 TIMING: 4486200 CPU: 14492.1, 0.00313278/step Wall: 14492.1, 0.00313278/step, 0.447117 hours remaining, 235.664062 MB of memory in use. ENERGY: 4486200 3965.6842 20587.7640 14513.3300 248.5911 -204025.4940 2975.6117 0.0000 0.0000 52050.9699 -109683.5431 299.1376 -161734.5130 -109321.5251 298.1197 117.2940 146.3194 762302.5295 10.9664 11.1930 PRESSURE: 4486400 337.437 -225.511 -64.1043 -225.511 115.264 194.462 -64.104 194.462 278.692 GPRESSURE: 4486400 307.022 -177.658 36.6709 -137.067 161.772 69.666 30.5327 282.742 337.581 PRESSAVG: 4486400 46.0509 -70.5824 28.2333 -70.5824 -4.85605 -37.9384 28.2333 -37.9384 -15.5254 GPRESSAVG: 4486400 44.3491 -67.4592 25.9744 -71.7044 -4.44052 -38.0905 28.2786 -40.1585 -14.2419 TIMING: 4486400 CPU: 14492.7, 0.00313511/step Wall: 14492.7, 0.00313511/step, 0.447276 hours remaining, 235.664062 MB of memory in use. ENERGY: 4486400 3918.0504 20511.5891 14444.3382 271.8157 -204016.0510 3046.3095 0.0000 0.0000 51911.5410 -109912.4070 298.3363 -161823.9480 -109543.4674 298.8692 243.7978 268.7915 762344.8817 8.5565 8.5555 PRESSURE: 4486600 21.1458 -47.19 41.3549 -47.191 -60.5898 -279.519 41.3542 -279.519 -114.604 GPRESSURE: 4486600 -65.4357 -111.306 35.3923 -40.4888 50.9471 -210.607 79.0259 -205.773 -57.6898 PRESSAVG: 4486600 14.2452 -19.7175 10.0323 -19.7175 -31.3637 -47.6945 10.0323 -47.6944 5.28605 GPRESSAVG: 4486600 15.2552 -21.7014 11.1848 -22.2835 -30.7045 -46.3389 9.21045 -47.9322 3.77188 TIMING: 4486600 CPU: 14493.3, 0.00314634/step Wall: 14493.3, 0.00314634/step, 0.448703 hours remaining, 235.664062 MB of memory in use. ENERGY: 4486600 4123.4767 20462.6307 14374.5973 258.8399 -203386.6078 2457.0969 0.0000 0.0000 52034.6514 -109675.3149 299.0439 -161709.9662 -109310.4411 298.8824 -51.3495 -24.0595 761645.8288 -3.9442 -3.8925 PRESSURE: 4486800 -229.859 -155.112 -113.189 -155.112 -164.537 -266.51 -113.189 -266.511 -425.23 GPRESSURE: 4486800 -166.049 -136.518 -158.387 -106.038 -200.597 -290.783 -118.493 -211.771 -365.48 PRESSAVG: 4486800 12.1395 -24.6381 11.9114 -24.6382 1.17501 -20.339 11.9114 -20.3389 -2.59498 GPRESSAVG: 4486800 11.4339 -25.4717 13.0093 -22.6456 0.54245 -20.2851 13.7372 -19.1742 -0.905827 TIMING: 4486800 CPU: 14494, 0.00313386/step Wall: 14494, 0.00313385/step, 0.446748 hours remaining, 235.664062 MB of memory in use. ENERGY: 4486800 3972.9875 20548.9981 14458.0956 245.2739 -203332.8654 2324.3545 0.0000 0.0000 52125.3385 -109657.8173 299.5650 -161783.1558 -109291.8092 299.0741 -273.2083 -244.0421 761730.5399 3.5732 3.6902 PRESSURE: 4487000 -269 -254.187 -27.9174 -254.186 -61.6798 -32.7824 -27.9188 -32.7823 -77.4794 GPRESSURE: 4487000 -193.632 -184.033 17.0005 -206.731 -33.438 -49.6268 -62.4029 46.7469 -93.7066 PRESSAVG: 4487000 52.5231 -78.3184 7.70254 -78.3185 -47.2974 -45.948 7.70254 -45.948 5.51443 GPRESSAVG: 4487000 53.8237 -75.7266 6.5594 -78.1824 -48.2863 -48.6711 9.08381 -44.9106 4.85651 TIMING: 4487000 CPU: 14494.6, 0.00315894/step Wall: 14494.6, 0.00315894/step, 0.450149 hours remaining, 235.664062 MB of memory in use. ENERGY: 4487000 3944.5437 20481.7090 14437.8279 245.0971 -203265.4566 2444.6938 0.0000 0.0000 52038.1093 -109673.4759 299.0637 -161711.5853 -109310.7495 298.8696 -136.0532 -106.9257 761476.5097 3.5801 3.4646 PRESSURE: 4487200 289.619 -165.753 4.70199 -165.752 230.799 123.871 4.70155 123.872 235.94 GPRESSURE: 4487200 234.185 -95.8305 58.6227 -23.1008 319.948 79.9917 -3.95821 89.1196 302.117 PRESSAVG: 4487200 1.35988 -90.4634 -49.199 -90.4634 -7.17202 -12.9795 -49.199 -12.9796 10.9153 GPRESSAVG: 4487200 0.214881 -91.1511 -49.3342 -90.5646 -7.1473 -13.2047 -51.6275 -14.4685 11.4719 TIMING: 4487200 CPU: 14495.2, 0.00317355/step Wall: 14495.2, 0.00317356/step, 0.452055 hours remaining, 235.664062 MB of memory in use. ENERGY: 4487200 3945.8455 20309.3535 14465.2978 254.2716 -203609.1793 2878.5557 0.0000 0.0000 52112.5100 -109643.3452 299.4913 -161755.8552 -109275.3387 298.8073 252.1195 285.4167 763720.1672 1.7011 1.5132 PRESSURE: 4487400 80.4134 1.05102 -149.305 1.0512 -234.801 -33.1707 -149.305 -33.1712 527.69 GPRESSURE: 4487400 129.873 -75.1017 -137.344 34.73 -115.488 11.4182 -85.9805 -51.6058 446.319 PRESSAVG: 4487400 30.4636 -43.9178 -27.2413 -43.9178 -1.67274 -51.867 -27.2414 -51.8671 -7.29068 GPRESSAVG: 4487400 29.4243 -46.724 -26.0989 -44.0827 0.469445 -50.6604 -28.1149 -51.2472 -8.28511 TIMING: 4487400 CPU: 14495.9, 0.0031407/step Wall: 14495.9, 0.0031407/step, 0.447201 hours remaining, 235.664062 MB of memory in use. ENERGY: 4487400 3969.9858 20434.3279 14485.1214 264.1639 -203101.7605 2582.0381 0.0000 0.0000 51806.2994 -109559.8239 297.7315 -161366.1233 -109203.0573 298.6126 124.4342 153.5683 764522.5727 7.1667 7.2029 PRESSURE: 4487600 385.19 38.1287 90.871 38.1284 283.181 -89.5828 90.8702 -89.5839 261.61 GPRESSURE: 4487600 442.485 130.375 48.4929 -115.422 342.517 -153.383 48.8465 -51.0851 225.815 PRESSAVG: 4487600 -4.27873 -27.2465 14.0061 -27.2465 -14.5253 -30.6898 14.0061 -30.6898 -5.83332 GPRESSAVG: 4487600 -3.38349 -24.4283 14.1678 -28.1208 -14.3786 -29.1678 15.8337 -30.6108 -7.45644 TIMING: 4487600 CPU: 14496.5, 0.00315476/step Wall: 14496.5, 0.00315476/step, 0.449028 hours remaining, 235.664062 MB of memory in use. ENERGY: 4487600 3955.1008 20603.9083 14413.9756 253.0974 -203822.7563 2902.8557 0.0000 0.0000 52180.8596 -109512.9588 299.8841 -161693.8184 -109156.4732 298.5256 309.9935 336.9391 762880.7741 -8.2125 -8.4062 PRESSURE: 4487800 174.776 -51.0621 -127.489 -51.0626 -294.886 -24.3319 -127.489 -24.3327 -358.88 GPRESSURE: 4487800 149.946 -116.406 -99.1759 68.8792 -301.08 -41.377 -357.664 -101.039 -255.526 PRESSAVG: 4487800 33.1536 -46.5815 -26.5383 -46.5815 -66.0631 -28.2992 -26.5383 -28.2992 -3.69166 GPRESSAVG: 4487800 33.6165 -47.038 -26.9153 -44.6548 -68.2938 -29.0362 -26.8542 -28.9363 -2.02742 TIMING: 4487800 CPU: 14497.1, 0.003149/step Wall: 14497.1, 0.003149/step, 0.448032 hours remaining, 235.718750 MB of memory in use. ENERGY: 4487800 4003.8175 20545.2963 14476.9333 252.7123 -203265.8634 2393.5306 0.0000 0.0000 52127.2848 -109466.2887 299.5762 -161593.5735 -109104.0359 299.1234 -159.6633 -135.5534 764249.6004 -12.2004 -12.2349 PRESSURE: 4488000 116.216 -4.96335 133.186 -4.96353 -49.8393 -177.804 133.186 -177.803 191.562 GPRESSURE: 4488000 281.62 61.0938 208.834 -106.472 -48.4665 -99.5263 197.396 -78.9554 145.43 PRESSAVG: 4488000 33.3375 -33.1379 9.27223 -33.1379 -24.146 -53.3816 9.27223 -53.3815 10.8118 GPRESSAVG: 4488000 33.4851 -32.2382 8.33166 -35.1095 -23.7411 -54.3041 7.59134 -52.263 10.5842 TIMING: 4488000 CPU: 14497.7, 0.00314596/step Wall: 14497.7, 0.00314596/step, 0.447425 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4488000 4017.6514 20485.8319 14454.3359 231.7539 -203528.1839 2571.3566 0.0000 0.0000 52283.3931 -109483.8612 300.4734 -161767.2543 -109121.9121 299.1524 85.9798 126.1945 761183.9427 6.6678 6.7761 PRESSURE: 4488200 -383.684 -115.575 64.7695 -115.574 -302.406 -32.5086 64.7695 -32.5084 -303.685 GPRESSURE: 4488200 -311.665 -218.252 88.2866 -44.5216 -331.749 -50.6837 -106.974 -5.364 -269.557 PRESSAVG: 4488200 -16.9227 -77.2787 11.0624 -77.2787 -9.08332 26.6838 11.0624 26.6838 2.2355 GPRESSAVG: 4488200 -16.5187 -80.0531 12.0706 -77.5255 -9.4383 27.4109 11.4085 26.8185 2.15986 TIMING: 4488200 CPU: 14498.4, 0.00315593/step Wall: 14498.4, 0.00315593/step, 0.448668 hours remaining, 235.718750 MB of memory in use. ENERGY: 4488200 4019.5255 20467.2839 14480.7770 252.1391 -203415.6885 2402.4123 0.0000 0.0000 52062.0255 -109731.5252 299.2012 -161793.5507 -109369.6074 298.9185 -329.9249 -304.3236 761748.5834 -7.9235 -7.9324 LDB: ============= START OF LOAD BALANCING ============== 14510.8 LDB: ============== END OF LOAD BALANCING =============== 14510.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14510.8 LDB: ============= START OF LOAD BALANCING ============== 14511.1 LDB: Largest compute 7068 load 0.033539 is 17.1% of average load 0.195615 LDB: Average compute 0.004391 is 2.2% of average load 0.195615 LDB: TIME 14511.1 LOAD: AVG 0.195615 MAX 0.218596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.324 MB LDB: TIME 14511.1 LOAD: AVG 0.195615 MAX 0.218596 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: TIME 14511.1 LOAD: AVG 0.195615 MAX 0.216483 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: ============== END OF LOAD BALANCING =============== 14511.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14511.1 PRESSURE: 4488400 -132.761 -213.461 -59.0092 -213.461 -87.7652 82.2292 -59.0085 82.2296 -235.43 GPRESSURE: 4488400 -152.805 -273.541 -85.2061 -300.421 20.2412 49.2932 -69.4044 57.2838 -236.484 PRESSAVG: 4488400 -7.69897 -40.8065 7.09207 -40.8065 -6.43672 -28.2339 7.09203 -28.2339 12.0316 GPRESSAVG: 4488400 -8.2412 -39.533 6.51542 -38.8624 -6.42669 -28.4854 6.5849 -28.6202 12.389 TIMING: 4488400 CPU: 14499, 0.00318828/step Wall: 14499, 0.00318828/step, 0.453089 hours remaining, 235.515625 MB of memory in use. ENERGY: 4488400 4000.3820 20643.4840 14440.2960 230.5379 -203651.8139 2624.0933 0.0000 0.0000 51925.6711 -109787.3497 298.4175 -161713.0207 -109422.2366 298.7375 -151.9854 -123.0161 760549.5117 -0.7014 -0.7596 PRESSURE: 4488600 -124.042 -24.0156 -67.9727 -24.0154 51.1657 -139.952 -67.9732 -139.951 29.4752 GPRESSURE: 4488600 -78.0752 7.94405 24.4256 30.8622 30.1155 -93.7417 -117.905 -241.738 97.4812 PRESSAVG: 4488600 38.7646 -9.72784 -48.1303 -9.72789 7.59971 -22.1375 -48.1303 -22.1376 -0.167113 GPRESSAVG: 4488600 38.8277 -9.26284 -48.5523 -9.50494 7.79404 -22.4066 -47.1533 -21.7044 -0.202914 TIMING: 4488600 CPU: 14499.6, 0.0031282/step Wall: 14499.6, 0.0031282/step, 0.444379 hours remaining, 235.718750 MB of memory in use. ENERGY: 4488600 4140.4052 20623.9573 14481.9346 248.3000 -203907.8617 2753.8813 0.0000 0.0000 51978.9464 -109680.4368 298.7237 -161659.3833 -109323.7203 298.9409 -14.4671 16.5071 761210.4247 15.3990 15.4730 PRESSURE: 4488800 -63.0459 105.989 134.072 105.988 -491.389 65.2574 134.071 65.2575 263.221 GPRESSURE: 4488800 6.18874 -7.78504 170.526 108.874 -507.569 75.5481 85.0013 4.07568 264.628 PRESSAVG: 4488800 9.24479 -38.9153 -18.038 -38.9154 18.9955 -19.2277 -18.038 -19.2277 -15.5304 GPRESSAVG: 4488800 9.65263 -39.0888 -18.3318 -41.514 19.5464 -18.351 -18.9533 -21.1654 -16.3561 TIMING: 4488800 CPU: 14500.3, 0.00313375/step Wall: 14500.3, 0.00313375/step, 0.444993 hours remaining, 235.718750 MB of memory in use. ENERGY: 4488800 3978.5775 20510.9802 14461.6490 271.7278 -203469.8652 2483.0176 0.0000 0.0000 51952.9598 -109810.9534 298.5744 -161763.9132 -109446.4621 299.0997 -97.0712 -78.9173 760711.6716 4.2366 4.2809 PRESSURE: 4489000 -294.049 -33.5663 29.74 -33.5656 -5.85549 -120.941 29.741 -120.942 -657.671 GPRESSURE: 4489000 -188.596 33.856 50.5457 -128.916 -51.1935 -162.062 66.889 -197.777 -617.888 PRESSAVG: 4489000 46.7241 -7.59906 -11.3324 -7.59906 -37.0683 -16.9579 -11.3324 -16.9578 9.62818 GPRESSAVG: 4489000 47.359 -8.75136 -11.8044 -6.93195 -37.6679 -17.4496 -10.8782 -14.2879 9.17618 TIMING: 4489000 CPU: 14500.9, 0.00311168/step Wall: 14500.9, 0.00311167/step, 0.441685 hours remaining, 235.718750 MB of memory in use. ENERGY: 4489000 4042.7423 20488.9077 14461.3149 242.1209 -203513.2333 2506.2366 0.0000 0.0000 52176.5225 -109595.3885 299.8592 -161771.9109 -109236.0591 299.0946 -319.1920 -285.8926 760099.0584 6.4280 6.2891 PRESSURE: 4489200 252.124 -118.08 188.583 -118.081 32.2331 -96.4862 188.583 -96.4871 221.434 GPRESSURE: 4489200 267.472 -49.9905 135.625 10.3413 42.879 -139.924 160.047 -128.046 289.234 PRESSAVG: 4489200 111.171 -13.1344 33.8832 -13.1344 -86.4717 17.6894 33.8832 17.6895 -16.7985 GPRESSAVG: 4489200 110.141 -11.1683 34.4181 -12.1782 -86.0395 17.8322 33.6987 16.6179 -16.0092 TIMING: 4489200 CPU: 14501.5, 0.00313159/step Wall: 14501.5, 0.00313159/step, 0.444338 hours remaining, 235.718750 MB of memory in use. ENERGY: 4489200 3962.1493 20491.9950 14469.4508 253.0680 -203299.6196 2523.6160 0.0000 0.0000 52157.9437 -109441.3968 299.7524 -161599.3405 -109077.3301 299.1142 168.5967 199.8617 760018.9428 2.6336 2.6975 PRESSURE: 4489400 -155.767 -79.0172 -47.5257 -79.0175 -50.7882 24.8478 -47.5262 24.8469 166.266 GPRESSURE: 4489400 -115.73 -84.1436 24.3455 21.0587 4.88705 0.0857285 -164.447 6.90162 155.089 PRESSAVG: 4489400 54.4218 -41.7168 -13.4169 -41.7168 -75.3139 -28.8134 -13.4169 -28.8135 5.02312 GPRESSAVG: 4489400 53.8961 -43.2203 -13.6838 -40.7999 -74.9606 -29.5019 -13.128 -28.9668 4.93299 TIMING: 4489400 CPU: 14502.1, 0.00312051/step Wall: 14502.1, 0.00312051/step, 0.442593 hours remaining, 235.718750 MB of memory in use. ENERGY: 4489400 4021.1034 20345.2842 14515.9705 230.5645 -203829.5923 2693.7985 0.0000 0.0000 52302.1720 -109720.6992 300.5813 -162022.8711 -109360.0424 299.0314 -13.4299 14.7487 761054.3146 -5.2897 -5.3772 PRESSURE: 4489600 -13.7246 61.4551 -74.2198 61.4547 -36.877 -133.269 -74.2207 -133.271 -72.2987 GPRESSURE: 4489600 42.4987 38.5681 -70.9101 7.28183 30.514 -59.2432 -241.927 -118.691 -121.564 PRESSAVG: 4489600 36.6394 -13.083 -2.82907 -13.0831 -12.4926 -37.8787 -2.82901 -37.8786 -7.53508 GPRESSAVG: 4489600 37.0713 -13.9262 -2.35525 -14.1652 -13.3544 -36.9788 -3.43916 -35.6662 -7.12041 TIMING: 4489600 CPU: 14502.8, 0.00311758/step Wall: 14502.8, 0.00311758/step, 0.442003 hours remaining, 235.718750 MB of memory in use. ENERGY: 4489600 3931.5742 20445.7765 14525.4731 239.4220 -203668.8576 2475.0135 0.0000 0.0000 52309.2321 -109742.3662 300.6219 -162051.5983 -109382.1774 298.6208 -40.9667 -16.1838 760152.6509 5.5372 5.5321 PRESSURE: 4489800 -22.2803 -180.648 1.5255 -180.648 120.521 63.2692 1.52564 63.2697 -131.32 GPRESSURE: 4489800 26.1882 -167.682 -36.549 -45.6443 175.068 64.7656 11.0319 -7.94222 -148.836 PRESSAVG: 4489800 60.1088 -28.9491 25.0001 -28.949 -21.1768 -39.1356 25.0001 -39.1357 -8.10997 GPRESSAVG: 4489800 59.085 -28.804 25.214 -26.7966 -19.345 -38.9892 24.1864 -40.0062 -8.62615 TIMING: 4489800 CPU: 14503.4, 0.00312038/step Wall: 14503.4, 0.00312038/step, 0.442227 hours remaining, 235.718750 MB of memory in use. ENERGY: 4489800 4004.8739 20428.6213 14450.3192 228.4073 -203196.7194 2456.3619 0.0000 0.0000 52163.3030 -109464.8330 299.7832 -161628.1360 -109103.4594 298.9591 -11.0262 17.4734 760633.3837 10.2740 10.3713 PRESSURE: 4490000 -88.5464 -68.9932 140.805 -68.9932 -157.184 -77.2284 140.805 -77.2278 -104.337 GPRESSURE: 4490000 -119.468 -97.2105 183.458 -96.2066 -115.819 -41.2922 68.1224 -144.746 -33.621 PRESSAVG: 4490000 -12.26 -35.882 -7.72764 -35.882 -1.98471 -40.7749 -7.7276 -40.7749 13.7875 GPRESSAVG: 4490000 -11.1438 -30.9372 -8.98624 -39.4059 -3.09294 -40.9268 -6.56057 -42.6818 14.1857 TIMING: 4490000 CPU: 14504, 0.00312824/step Wall: 14504, 0.00312824/step, 0.443167 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4490000 4022.2342 20384.6226 14540.2013 254.0655 -203348.8134 2515.6794 0.0000 0.0000 52163.7226 -109468.2878 299.7856 -161632.0104 -109103.1737 299.0996 -116.6892 -89.6360 761793.7932 -0.1524 -0.0170 PRESSURE: 4490200 -72.1896 -78.7965 -143.132 -78.7966 19.9058 77.7944 -143.132 77.7946 -242.277 GPRESSURE: 4490200 39.5986 -192.622 -108.197 -67.8244 28.2105 51.9062 -176.243 72.7911 -278.149 PRESSAVG: 4490200 28.5421 -39.1403 -15.9195 -39.1402 -19.6239 -3.16996 -15.9196 -3.1699 0.809644 GPRESSAVG: 4490200 29.161 -42.9068 -16.3595 -36.9275 -19.478 -1.89826 -16.3704 -1.74486 -0.068171 TIMING: 4490200 CPU: 14504.6, 0.00314227/step Wall: 14504.6, 0.00314227/step, 0.444981 hours remaining, 235.718750 MB of memory in use. ENERGY: 4490200 3970.6441 20576.7832 14447.0166 223.8133 -203148.1582 2288.6350 0.0000 0.0000 51993.5025 -109647.7635 298.8074 -161641.2660 -109294.9047 299.2911 -98.1869 -70.1135 762033.1635 3.2426 3.2050 PRESSURE: 4490400 66.073 -155.908 280.601 -155.908 -293.334 -33.5719 280.601 -33.5718 -41.4709 GPRESSURE: 4490400 104.251 -61.0621 281.103 -220.107 -297.354 5.52092 192.011 -22.8718 7.13531 PRESSAVG: 4490400 39.1208 -23.0965 -5.90103 -23.0966 -39.289 42.7346 -5.90096 42.7346 12.9236 GPRESSAVG: 4490400 38.7218 -22.7278 -4.53223 -23.8073 -38.5357 42.4699 -5.18575 42.5758 12.7484 TIMING: 4490400 CPU: 14505.3, 0.00312197/step Wall: 14505.3, 0.00312197/step, 0.441932 hours remaining, 235.718750 MB of memory in use. ENERGY: 4490400 4034.9985 20470.7506 14440.7217 240.8315 -203101.0558 2339.5824 0.0000 0.0000 52089.8929 -109484.2781 299.3613 -161574.1711 -109121.3847 299.4292 -89.5773 -61.9895 761181.7984 4.2518 4.3115 PRESSURE: 4490600 320.855 -137.186 -279.779 -137.187 416.404 192.911 -279.779 192.912 499.956 GPRESSURE: 4490600 405.86 -94.4517 -370.963 -176.085 403.946 171.55 -114.095 287.023 502.848 PRESSAVG: 4490600 28.1316 8.19984 26.0624 8.19984 -13.7197 -30.0203 26.0623 -30.0203 15.4571 GPRESSAVG: 4490600 28.2647 9.18282 24.7895 8.70551 -14.9854 -30.7981 25.4972 -29.9425 16.7127 TIMING: 4490600 CPU: 14505.9, 0.00313245/step Wall: 14505.9, 0.00313245/step, 0.443242 hours remaining, 235.718750 MB of memory in use. ENERGY: 4490600 3943.7412 20612.9654 14473.0682 235.3437 -203451.1545 2538.9711 0.0000 0.0000 52026.4108 -109620.6541 298.9965 -161647.0649 -109263.0927 299.2225 412.4051 437.5514 759148.0198 9.9564 9.9974 PRESSURE: 4490800 -77.1812 15.7449 -36.5407 15.7453 -55.2436 -281.073 -36.5404 -281.074 264.029 GPRESSURE: 4490800 -23.1805 45.5785 -113.126 33.5732 10.7807 -255.932 -27.6623 -238.793 235.398 PRESSAVG: 4490800 24.6326 -23.9124 14.1848 -23.9124 -25.1599 -14.3259 14.1848 -14.3259 -13.1748 GPRESSAVG: 4490800 23.7515 -22.5326 14.784 -24.8023 -24.6879 -14.6986 15.6749 -13.4581 -12.745 TIMING: 4490800 CPU: 14506.5, 0.00313429/step Wall: 14506.5, 0.00313429/step, 0.443328 hours remaining, 235.718750 MB of memory in use. ENERGY: 4490800 3899.3025 20443.3524 14464.0463 244.2578 -203461.3501 2662.4122 0.0000 0.0000 52196.4637 -109551.5153 299.9738 -161747.9790 -109177.1862 299.4984 43.8682 74.3329 763253.9401 -4.5673 -4.5605 PRESSURE: 4491000 -368.293 -120.149 -124.66 -120.149 240.247 32.6341 -124.66 32.6338 -183.002 GPRESSURE: 4491000 -206.445 -90.4966 -128.029 -160.537 176.13 -11.2406 -110.104 48.0569 -185.943 PRESSAVG: 4491000 19.8153 -21.6714 -6.70802 -21.6715 4.44562 -65.5768 -6.70805 -65.5768 5.00137 GPRESSAVG: 4491000 20.9942 -25.0791 -6.31466 -20.6271 4.82809 -66.5613 -8.24703 -65.6464 3.00341 TIMING: 4491000 CPU: 14507.1, 0.00313051/step Wall: 14507.1, 0.00313051/step, 0.442619 hours remaining, 235.718750 MB of memory in use. ENERGY: 4491000 4041.4377 20633.0375 14411.6621 253.1259 -203455.8360 2435.6624 0.0000 0.0000 52079.4361 -109601.4743 299.3012 -161680.9104 -109250.1087 299.0321 -103.6826 -72.0858 761405.0568 9.7541 9.6086 PRESSURE: 4491200 -107.468 -123.871 248.449 -123.871 -164.976 -48.2178 248.45 -48.2181 35.5242 GPRESSURE: 4491200 -111.512 -144.388 181.096 -4.04433 -78.4936 6.93472 149.096 -33.9475 56.5621 PRESSAVG: 4491200 45.8002 -38.7039 35.6965 -38.7038 -29.2719 -16.162 35.6966 -16.162 9.27685 GPRESSAVG: 4491200 44.4925 -37.8144 34.3634 -38.5517 -28.882 -14.72 32.4564 -16.9714 9.99898 TIMING: 4491200 CPU: 14507.8, 0.00313931/step Wall: 14507.8, 0.00313931/step, 0.44369 hours remaining, 235.718750 MB of memory in use. ENERGY: 4491200 3948.9286 20247.7239 14452.1788 262.6310 -202940.0019 2387.2075 0.0000 0.0000 52126.4621 -109514.8698 299.5715 -161641.3320 -109141.1161 298.9311 -78.9731 -44.4813 761687.3790 8.6017 8.5365 PRESSURE: 4491400 181.476 124.037 -118.785 124.038 10.5298 -54.6928 -118.785 -54.6935 70.0448 GPRESSURE: 4491400 129.938 86.6666 -88.8172 72.7568 61.9052 -65.7123 -144.033 -72.2742 140.111 PRESSAVG: 4491400 49.538 26.6808 -12.838 26.6807 2.55373 4.17137 -12.838 4.1713 -3.16633 GPRESSAVG: 4491400 49.6559 24.8699 -12.0598 26.3362 0.787858 1.95763 -10.4997 3.68337 -1.98446 TIMING: 4491400 CPU: 14508.4, 0.00313349/step Wall: 14508.4, 0.00313349/step, 0.442693 hours remaining, 235.718750 MB of memory in use. ENERGY: 4491400 4014.5286 20416.1936 14473.5362 236.2190 -203265.7077 2487.0415 0.0000 0.0000 52092.4411 -109545.7476 299.3760 -161638.1887 -109182.3577 299.1470 87.3501 110.6517 761259.9358 16.3085 16.1531 PRESSURE: 4491600 -254.287 113.764 -94.1989 113.764 519.053 177.362 -94.1997 177.362 23.5994 GPRESSURE: 4491600 -208.824 183.112 -106.926 174.689 542.347 118.204 -65.5107 191.552 25.0308 PRESSAVG: 4491600 40.3248 13.0433 -15.3469 13.0433 -37.5522 -9.5826 -15.3469 -9.58258 -9.0639 GPRESSAVG: 4491600 40.3798 13.5976 -14.436 12.3127 -36.6717 -8.07108 -16.4476 -8.71893 -10.1523 TIMING: 4491600 CPU: 14509, 0.00312469/step Wall: 14509, 0.00312469/step, 0.441275 hours remaining, 235.718750 MB of memory in use. ENERGY: 4491600 3942.7101 20391.2013 14447.1038 257.3071 -203327.7852 2553.5776 0.0000 0.0000 52213.1334 -109522.7519 300.0696 -161735.8854 -109144.4691 299.2185 96.1217 119.5180 761585.2041 -2.0971 -2.1481 PRESSURE: 4491800 161.918 225.253 28.4452 225.252 -17.783 -74.6727 28.4453 -74.6732 237.885 GPRESSURE: 4491800 152.031 71.5123 -22.4659 228.404 88.3919 -80.3712 158.271 -59.8433 226.206 PRESSAVG: 4491800 -4.15123 -23.7176 -24.0804 -23.7177 11.9641 37.6939 -24.0804 37.6939 15.4796 GPRESSAVG: 4491800 -4.32172 -22.6903 -25.1547 -24.0041 11.951 38.036 -20.1327 36.6969 15.941 TIMING: 4491800 CPU: 14509.7, 0.00313031/step Wall: 14509.7, 0.00313031/step, 0.441895 hours remaining, 235.718750 MB of memory in use. ENERGY: 4491800 3925.8910 20404.4546 14475.6448 226.3470 -203171.8310 2587.6006 0.0000 0.0000 52146.8140 -109405.0790 299.6885 -161551.8930 -109046.7969 299.4008 127.3401 155.5432 763175.6836 7.7641 7.8567 PRESSURE: 4492000 -2.38512 8.57725 -94.9795 8.57708 -94.4352 104.405 -94.9805 104.406 -102.877 GPRESSURE: 4492000 10.918 41.0775 -182.888 36.9737 -25.0051 10.1943 -83.1551 62.1137 -87.2145 PRESSAVG: 4492000 20.3951 -5.36673 -20.3186 -5.3668 0.564163 -9.70861 -20.3186 -9.7086 -14.6995 GPRESSAVG: 4492000 20.9346 -3.55151 -20.1211 -7.20844 0.514732 -10.9717 -22.9295 -9.10501 -14.8766 TIMING: 4492000 CPU: 14510.3, 0.00310748/step Wall: 14510.3, 0.00310748/step, 0.438501 hours remaining, 235.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4492000 4032.6360 20438.2588 14453.1742 236.1596 -203363.2655 2765.2752 0.0000 0.0000 52124.9774 -109312.7843 299.5630 -161437.7617 -108956.2178 299.3866 -66.5659 -33.7672 763515.3497 2.0866 2.1909 PRESSURE: 4492200 262.205 290.491 113.324 290.491 5.70004 -168.024 113.324 -168.024 -58.7879 GPRESSURE: 4492200 279.755 219.473 90.2923 232.124 26.8793 -121.834 24.8033 -86.9299 6.89461 PRESSAVG: 4492200 36.0798 34.0077 -49.7398 34.0077 -0.587048 -21.522 -49.7398 -21.5219 11.4832 GPRESSAVG: 4492200 34.8929 31.5394 -49.9023 36.4814 0.52631 -22.0583 -51.1389 -20.4731 11.8849 TIMING: 4492200 CPU: 14510.9, 0.00312916/step Wall: 14510.9, 0.00312916/step, 0.441386 hours remaining, 235.718750 MB of memory in use. ENERGY: 4492200 4006.8489 20402.9376 14403.3906 233.8894 -203290.6353 2764.1674 0.0000 0.0000 52106.0929 -109373.3085 299.4544 -161479.4014 -109017.7970 299.8195 69.7056 104.5096 761895.2018 15.6586 15.7680 LDB: ============= START OF LOAD BALANCING ============== 14523.3 LDB: ============== END OF LOAD BALANCING =============== 14523.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14523.3 LDB: ============= START OF LOAD BALANCING ============== 14523.6 LDB: Largest compute 7066 load 0.031884 is 16.3% of average load 0.195572 LDB: Average compute 0.004397 is 2.2% of average load 0.195572 LDB: TIME 14523.6 LOAD: AVG 0.195572 MAX 0.214304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.082 MB LDB: TIME 14523.6 LOAD: AVG 0.195572 MAX 0.214304 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 14523.6 LOAD: AVG 0.195572 MAX 0.214304 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 14523.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14523.6 PRESSURE: 4492400 9.22142 -77.6226 -233.267 -77.6222 342.862 -61.5371 -233.267 -61.5377 -62.5339 GPRESSURE: 4492400 178.432 20.02 -171.092 -109.72 260.776 -33.3979 -205.38 -83.5352 -49.4657 PRESSAVG: 4492400 17.8594 -9.41205 25.6634 -9.41216 -11.2785 9.75076 25.6634 9.75078 7.41766 GPRESSAVG: 4492400 19.6631 -9.20663 24.8516 -10.0826 -12.1806 11.0473 29.5516 9.38426 6.54371 TIMING: 4492400 CPU: 14511.5, 0.00319342/step Wall: 14511.5, 0.00319342/step, 0.450273 hours remaining, 235.574219 MB of memory in use. ENERGY: 4492400 3973.9211 20532.0509 14459.8742 269.2209 -202986.3835 2419.5054 0.0000 0.0000 51980.1890 -109351.6219 298.7309 -161331.8109 -108987.6633 299.8288 96.5166 129.9139 762858.0254 4.6662 4.6754 PRESSURE: 4492600 -17.1877 356.497 57.5895 356.496 -32.7501 179.895 57.5891 179.896 199.745 GPRESSURE: 4492600 82.6129 271.368 57.9297 436.475 1.01203 98.2708 167.128 148.036 154.041 PRESSAVG: 4492600 15.2425 57.8727 18.8094 57.8727 -53.8892 -19.8424 18.8094 -19.8423 -4.00818 GPRESSAVG: 4492600 14.7997 58.6922 21.7193 55.415 -54.7244 -19.3618 18.837 -20.9764 -2.42731 TIMING: 4492600 CPU: 14512.2, 0.00313778/step Wall: 14512.2, 0.00313778/step, 0.442253 hours remaining, 235.777344 MB of memory in use. ENERGY: 4492600 3961.6997 20697.7253 14400.9352 219.0705 -203114.6857 2431.0749 0.0000 0.0000 52138.2440 -109265.9362 299.6392 -161404.1802 -108902.7376 299.3115 49.9358 79.2220 763722.5924 -14.2183 -14.1173 PRESSURE: 4492800 105.395 -35.5616 234.634 -35.5623 90.8321 -206.622 234.634 -206.623 166.323 GPRESSURE: 4492800 100.832 -38.0458 157.245 -160.189 126.386 -100.678 346.619 -265.562 187.936 PRESSAVG: 4492800 24.1666 23.3501 18.7275 23.3501 9.15211 -8.70795 18.7274 -8.70794 -3.83497 GPRESSAVG: 4492800 24.0532 23.4664 16.4284 22.1771 9.82018 -9.87857 17.1364 -8.22418 -4.56913 TIMING: 4492800 CPU: 14512.8, 0.00314697/step Wall: 14512.8, 0.00314697/step, 0.443373 hours remaining, 235.777344 MB of memory in use. ENERGY: 4492800 4061.0501 20734.6391 14458.3979 232.0488 -203501.4372 2734.0004 0.0000 0.0000 52004.3301 -109276.9707 298.8696 -161281.3008 -108916.4118 299.8251 120.8499 138.3850 761035.7737 9.8279 9.7681 PRESSURE: 4493000 -99.7339 -152.518 58.5518 -152.518 230.331 58.3426 58.5514 58.3426 128.865 GPRESSURE: 4493000 -145.992 -259.611 53.137 -138.291 374.234 170.766 -2.63236 -134.993 127.393 PRESSAVG: 4493000 12.6953 28.0472 10.1136 28.0472 -19.233 32.6872 10.1136 32.6872 5.31322 GPRESSAVG: 4493000 11.7427 27.563 10.9197 31.0149 -18.936 34.8513 9.4227 33.5709 5.69159 TIMING: 4493000 CPU: 14513.4, 0.00316752/step Wall: 14513.4, 0.00316752/step, 0.446093 hours remaining, 235.777344 MB of memory in use. ENERGY: 4493000 3978.3835 20570.2809 14355.9651 230.1813 -203158.4804 2387.8458 0.0000 0.0000 52156.3316 -109479.4921 299.7432 -161635.8238 -109118.4228 299.8560 86.4873 118.5450 759795.1263 -0.4082 -0.5006 PRESSURE: 4493200 114.058 318.749 93.0249 318.749 237.961 208.817 93.0251 208.816 39.5707 GPRESSURE: 4493200 47.3312 224.512 194.653 95.6063 372.596 180.146 -18.2142 91.5572 55.3482 PRESSAVG: 4493200 6.11025 72.8929 9.66679 72.8929 -16.57 13.5606 9.66677 13.5607 11.5976 GPRESSAVG: 4493200 7.79991 72.5697 9.76473 70.9176 -15.9451 11.3073 9.39949 13.2282 10.0671 TIMING: 4493200 CPU: 14514.1, 0.00314538/step Wall: 14514.1, 0.00314538/step, 0.4428 hours remaining, 235.777344 MB of memory in use. ENERGY: 4493200 4016.1891 20471.7100 14430.9604 254.7250 -203517.9948 2734.2194 0.0000 0.0000 52020.4492 -109589.7416 298.9622 -161610.1908 -109236.7936 299.4346 130.5302 158.4251 760811.5242 0.3793 0.6406 PRESSURE: 4493400 -184.393 247.819 -58.2777 247.819 -135.341 -104.961 -58.2774 -104.962 -29.7679 GPRESSURE: 4493400 -163.315 184.902 -34.2521 216.746 -35.0715 -143.787 -192.67 -78.8522 -57.3839 PRESSAVG: 4493400 -4.54992 -17.0886 -20.2662 -17.0887 -17.2123 -58.7994 -20.2662 -58.7994 3.08655 GPRESSAVG: 4493400 -5.36464 -16.8604 -21.4743 -14.8178 -16.713 -58.3567 -21.7016 -59.6159 3.55998 TIMING: 4493400 CPU: 14514.7, 0.0031435/step Wall: 14514.7, 0.0031435/step, 0.44236 hours remaining, 235.777344 MB of memory in use. ENERGY: 4493400 3971.9134 20362.9039 14459.2568 243.5468 -203296.7594 2435.5649 0.0000 0.0000 52011.6364 -109811.9372 298.9116 -161823.5737 -109443.8701 298.8127 -116.5007 -85.2568 761220.5046 -6.2252 -6.1725 PRESSURE: 4493600 29.0416 -43.8611 -197.352 -43.8615 175.273 -72.6671 -197.352 -72.6675 263.399 GPRESSURE: 4493600 35.807 -85.2867 -224.072 -26.4622 230.121 23.2518 -92.6714 -38.052 252.416 PRESSAVG: 4493600 2.34551 -48.3671 5.7765 -48.3671 34.3793 -41.3229 5.77647 -41.323 -26.2814 GPRESSAVG: 4493600 2.26043 -48.8746 6.66458 -49.3594 32.9143 -41.0561 8.56577 -40.1125 -24.796 TIMING: 4493600 CPU: 14515.3, 0.00312645/step Wall: 14515.3, 0.00312644/step, 0.439787 hours remaining, 235.777344 MB of memory in use. ENERGY: 4493600 3962.4241 20400.7151 14355.6927 243.8422 -203267.3957 2403.3959 0.0000 0.0000 51992.3460 -109908.9796 298.8007 -161901.3256 -109553.3537 298.6771 155.9046 172.7814 762191.2084 3.4811 3.4596 PRESSURE: 4493800 109.868 42.557 -100.13 42.5578 63.5242 130.615 -100.129 130.615 453.7 GPRESSURE: 4493800 71.1854 92.0574 -62.2048 44.3037 86.7619 154.988 -66.5645 96.6829 559.458 PRESSAVG: 4493800 1.12509 -5.75245 21.1212 -5.75242 16.9128 23.0888 21.1212 23.0887 1.70633 GPRESSAVG: 4493800 0.381421 -3.71742 21.9087 -4.84027 18.7485 22.8423 20.3145 22.7642 0.773972 TIMING: 4493800 CPU: 14515.9, 0.00312949/step Wall: 14515.9, 0.00312949/step, 0.440042 hours remaining, 235.777344 MB of memory in use. ENERGY: 4493800 3990.7823 20396.3087 14439.9897 248.0303 -203404.7387 2492.0243 0.0000 0.0000 51682.8725 -110154.7309 297.0222 -161837.6034 -109812.5853 297.6744 209.0307 239.1350 760588.4517 6.5814 6.6346 PRESSURE: 4494000 448.294 -112.558 -13.7794 -112.558 189.107 167.623 -13.7802 167.623 298.299 GPRESSURE: 4494000 382.279 -94.4105 7.46675 -58.004 311.182 111.092 -191.61 100.51 308.653 PRESSAVG: 4494000 -5.25811 31.8963 -9.05169 31.8963 -23.5421 14.6286 -9.05169 14.6286 -4.24386 GPRESSAVG: 4494000 -5.50634 31.4862 -8.19086 31.5744 -24.1319 13.2478 -9.6776 13.8621 -3.0572 TIMING: 4494000 CPU: 14516.6, 0.00311745/step Wall: 14516.6, 0.00311745/step, 0.438175 hours remaining, 235.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4494000 3997.0208 20523.7446 14403.8936 266.3629 -203356.4570 2511.1923 0.0000 0.0000 51830.0723 -109824.1704 297.8681 -161654.2427 -109471.1892 297.7109 311.8998 334.0380 758729.4261 -11.0147 -10.8985 PRESSURE: 4494200 532.769 -89.0747 78.7236 -89.0752 -24.8159 -58.8611 78.723 -58.8611 80.4288 GPRESSURE: 4494200 450.215 -80.6747 -21.4467 -208.09 31.0055 -37.0068 144.672 46.9057 184.848 PRESSAVG: 4494200 59.399 -44.4922 -16.7508 -44.4922 -50.8591 -41.3657 -16.7508 -41.3657 8.76569 GPRESSAVG: 4494200 59.7296 -44.6261 -18.0797 -45.9966 -50.5717 -41.2842 -16.4232 -40.9147 8.15721 TIMING: 4494200 CPU: 14517.2, 0.00311709/step Wall: 14517.2, 0.00311709/step, 0.437952 hours remaining, 235.777344 MB of memory in use. ENERGY: 4494200 4017.2547 20453.3577 14446.3357 258.3268 -203304.6457 2502.1783 0.0000 0.0000 52065.1216 -109562.0710 299.2190 -161627.1927 -109200.8545 298.9183 196.1273 222.0227 759215.1413 5.7686 5.7717 PRESSURE: 4494400 -35.2416 -68.8163 150.402 -68.8161 97.7921 -31.4759 150.403 -31.4762 -399.397 GPRESSURE: 4494400 2.68841 -61.6995 188.813 0.608256 186.812 75.3599 138.967 49.0515 -444.01 PRESSAVG: 4494400 63.8238 -0.384424 12.3824 -0.384434 -48.4228 -0.191432 12.3824 -0.191448 28.0198 GPRESSAVG: 4494400 64.1043 0.604496 10.9129 -0.688086 -48.4595 0.749714 14.4564 2.01366 27.9199 TIMING: 4494400 CPU: 14517.8, 0.00310988/step Wall: 14517.8, 0.00310988/step, 0.436765 hours remaining, 235.777344 MB of memory in use. ENERGY: 4494400 3989.6904 20550.4579 14472.5524 221.4114 -202984.0113 2274.4269 0.0000 0.0000 52051.9691 -109423.5031 299.1434 -161475.4723 -109049.2614 299.2913 -112.2823 -84.8367 760288.6946 14.4736 14.5216 PRESSURE: 4494600 485.383 65.142 -44.8312 65.1417 -107.292 -47.4483 -44.8315 -47.4481 313.66 GPRESSURE: 4494600 437.886 120.869 -44.6475 86.6258 -23.6356 -72.1152 -32.0295 13.7699 379.46 PRESSAVG: 4494600 74.1111 9.54322 -26.6516 9.54325 -79.4845 36.3637 -26.6516 36.3636 -9.11457 GPRESSAVG: 4494600 73.1746 10.2274 -23.4188 10.6979 -78.2699 35.6804 -29.4979 35.9296 -9.43296 TIMING: 4494600 CPU: 14518.4, 0.0031081/step Wall: 14518.4, 0.0031081/step, 0.436342 hours remaining, 235.777344 MB of memory in use. ENERGY: 4494600 3953.2993 20664.4613 14469.6588 223.6141 -203589.4070 2799.4561 0.0000 0.0000 52004.3002 -109474.6171 298.8694 -161478.9173 -109114.1052 299.3023 230.5836 264.5700 758914.7831 -4.8293 -4.8427 PRESSURE: 4494800 49.2161 50.4172 -203.47 50.4171 -20.9112 360.61 -203.47 360.612 -25.6251 GPRESSURE: 4494800 107.355 62.9667 -303.141 49.4294 -5.83726 360.299 -232.021 275.991 -14.5789 PRESSAVG: 4494800 33.1428 44.7104 -26.0485 44.7103 -54.0095 23.0665 -26.0485 23.0665 11.5936 GPRESSAVG: 4494800 35.5577 42.7678 -27.4917 44.912 -56.1581 23.7265 -26.0171 19.7946 11.3017 TIMING: 4494800 CPU: 14519.1, 0.00311949/step Wall: 14519.1, 0.00311949/step, 0.437769 hours remaining, 235.777344 MB of memory in use. ENERGY: 4494800 3902.5006 20545.7380 14442.4553 261.6517 -203437.7990 2633.5000 0.0000 0.0000 52321.7310 -109330.2224 300.6937 -161651.9533 -108969.0664 299.6168 0.8933 28.9798 760278.2978 -3.0910 -3.0996 PRESSURE: 4495000 124.89 53.1335 -46.7813 53.1325 -325.42 -248.501 -46.7805 -248.501 -121.684 GPRESSURE: 4495000 40.0576 117.943 -22.9955 64.2933 -259.772 -227.225 -165.321 -213.951 -22.917 PRESSAVG: 4495000 -5.91144 31.0691 -32.1641 31.0692 22.6012 -20.1765 -32.164 -20.1766 -20.5134 GPRESSAVG: 4495000 -7.363 29.7081 -32.1059 32.5925 23.9018 -19.4629 -30.3082 -17.9731 -20.1891 TIMING: 4495000 CPU: 14519.7, 0.00311873/step Wall: 14519.7, 0.00311873/step, 0.437488 hours remaining, 235.777344 MB of memory in use. ENERGY: 4495000 3924.1010 20669.1954 14468.9166 235.9103 -203628.9769 2480.1761 0.0000 0.0000 52411.7221 -109438.9554 301.2109 -161850.6775 -109077.1813 299.6576 -107.4048 -80.8771 759727.9391 -1.2746 -1.2168 PRESSURE: 4495200 198.08 -89.2267 -149.108 -89.227 31.5888 3.09097 -149.108 3.0918 -127.093 GPRESSURE: 4495200 221.539 1.66901 -141.898 -47.299 -14.024 -70.0922 -142.153 -45.3073 -10.3259 PRESSAVG: 4495200 66.9999 22.7893 -8.8059 22.7893 -63.2112 -5.17783 -8.8059 -5.1778 0.965397 GPRESSAVG: 4495200 67.5925 23.6624 -7.92997 22.2587 -63.7288 -5.50242 -8.63437 -5.70661 1.28365 TIMING: 4495200 CPU: 14520.3, 0.00313364/step Wall: 14520.3, 0.00313364/step, 0.439407 hours remaining, 235.777344 MB of memory in use. ENERGY: 4495200 3946.2503 20469.2447 14436.8106 235.5126 -203869.9420 2789.4176 0.0000 0.0000 52636.2789 -109356.4272 302.5014 -161992.7062 -109000.2256 299.8136 34.1922 65.7296 760049.7174 1.5847 1.7158 PRESSURE: 4495400 26.9011 67.3639 -57.4085 67.3635 200.973 -71.9084 -57.4087 -71.9094 -287.075 GPRESSURE: 4495400 68.7941 66.9212 35.4254 -63.3699 234.854 -71.5238 -146.876 -23.0651 -256.674 PRESSAVG: 4495400 19.4889 6.09371 -24.619 6.09365 -19.0188 -6.21216 -24.619 -6.21222 22.1355 GPRESSAVG: 4495400 19.7329 4.94732 -25.7513 6.20656 -19.0274 -8.21277 -26.159 -4.60765 21.6906 TIMING: 4495400 CPU: 14520.9, 0.00312355/step Wall: 14520.9, 0.00312355/step, 0.437818 hours remaining, 235.777344 MB of memory in use. ENERGY: 4495400 3955.6972 20523.6652 14418.6765 252.7331 -203202.6519 2554.0790 0.0000 0.0000 52015.7871 -109482.0139 298.9354 -161497.8010 -109111.5346 299.3703 -19.7336 15.6581 761777.9118 7.5352 7.4654 PRESSURE: 4495600 -137.627 -13.3453 -31.2107 -13.3456 -359.568 166.289 -31.2109 166.29 287.591 GPRESSURE: 4495600 -103.111 15.0494 -67.2683 9.30484 -349.278 183.476 -86.1847 92.1928 322.624 PRESSAVG: 4495600 31.1798 -30.9669 -47.7813 -30.9669 -22.9897 -17.7963 -47.7813 -17.7963 19.7026 GPRESSAVG: 4495600 31.4427 -29.7523 -47.125 -31.9517 -24.4363 -16.5673 -47.1028 -18.0929 20.378 TIMING: 4495600 CPU: 14521.6, 0.00313637/step Wall: 14521.6, 0.00313637/step, 0.43944 hours remaining, 235.777344 MB of memory in use. ENERGY: 4495600 3919.7191 20581.1672 14430.7674 247.2900 -203474.9591 2526.5700 0.0000 0.0000 52541.2683 -109228.1771 301.9554 -161769.4454 -108861.4733 299.7034 -69.8678 -43.2550 760350.4405 9.2976 9.1281 PRESSURE: 4495800 -177.897 73.8978 -159.994 73.897 -130.075 -9.29284 -159.993 -9.29256 -324.178 GPRESSURE: 4495800 -163.54 68.4439 -124.626 55.8135 -97.486 -37.5341 -250.138 62.4479 -284.75 PRESSAVG: 4495800 2.99196 10.2789 -25.7495 10.2789 -10.6217 -44.0199 -25.7495 -44.0198 5.39069 GPRESSAVG: 4495800 3.07752 9.01654 -26.7924 10.5968 -9.54992 -43.6637 -26.2765 -45.2095 4.22225 TIMING: 4495800 CPU: 14522.2, 0.00311409/step Wall: 14522.2, 0.00311409/step, 0.436145 hours remaining, 235.777344 MB of memory in use. ENERGY: 4495800 4019.1616 20659.8533 14468.7169 247.2334 -203603.3636 2447.4374 0.0000 0.0000 52244.3875 -109516.5736 300.2492 -161760.9611 -109153.7457 299.8913 -210.7167 -181.9253 759552.4814 -0.7463 -0.7501 PRESSURE: 4496000 83.3708 28.1622 24.6035 28.1634 -175.339 -122.419 24.6042 -122.419 -382.337 GPRESSURE: 4496000 136.786 56.668 28.4948 13.8852 -168.145 -59.8186 -98.5614 9.18005 -364.052 PRESSAVG: 4496000 49.9326 -66.8317 -53.4193 -66.8316 -25.6405 76.5572 -53.4193 76.5573 10.6418 GPRESSAVG: 4496000 49.5935 -65.712 -52.1259 -67.4028 -26.2513 75.98 -51.7133 78.332 11.1866 TIMING: 4496000 CPU: 14522.8, 0.0031082/step Wall: 14522.8, 0.0031082/step, 0.435148 hours remaining, 235.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4496000 3967.0272 20725.6213 14424.4938 245.6519 -203141.3920 2264.4028 0.0000 0.0000 52016.5418 -109497.6532 298.9398 -161514.1950 -109134.0077 299.7579 -158.1019 -131.8037 760349.2798 11.6446 11.5096 PRESSURE: 4496200 262.684 -132.543 5.56704 -132.543 128.09 -187.378 5.56826 -187.378 -93.3633 GPRESSURE: 4496200 307.587 -138.401 26.3071 -69.0824 123.853 -155.668 -122.414 -106.984 -28.4296 PRESSAVG: 4496200 47.3385 -22.6711 -18.3049 -22.6711 -72.6731 6.30543 -18.3049 6.3055 0.00861161 GPRESSAVG: 4496200 47.8466 -23.9701 -18.5445 -19.7579 -73.148 8.68151 -19.3441 4.52208 0.117913 TIMING: 4496200 CPU: 14523.4, 0.00311182/step Wall: 14523.4, 0.00311182/step, 0.435482 hours remaining, 235.777344 MB of memory in use. ENERGY: 4496200 3978.8691 20528.8475 14429.1020 228.1822 -203285.4380 2474.2149 0.0000 0.0000 52290.7697 -109355.4525 300.5158 -161646.2223 -108996.3615 299.9066 99.1371 134.3370 760029.7112 -8.4420 -8.3945 LDB: ============= START OF LOAD BALANCING ============== 14535.8 LDB: ============== END OF LOAD BALANCING =============== 14535.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14535.8 LDB: ============= START OF LOAD BALANCING ============== 14536.2 LDB: Largest compute 7064 load 0.031102 is 15.9% of average load 0.195536 LDB: Average compute 0.004393 is 2.2% of average load 0.195536 LDB: TIME 14536.2 LOAD: AVG 0.195536 MAX 0.212839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 14536.2 LOAD: AVG 0.195536 MAX 0.212839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: TIME 14536.2 LOAD: AVG 0.195536 MAX 0.212839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: ============== END OF LOAD BALANCING =============== 14536.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14536.2 PRESSURE: 4496400 255.427 213.749 -35.9565 213.75 137.943 331.7 -35.9564 331.699 95.3654 GPRESSURE: 4496400 290.825 195.325 -25.5274 184.964 185.175 309.691 -75.9502 285.158 97.1566 PRESSAVG: 4496400 -3.34918 -9.25922 -18.0848 -9.25919 -9.44235 -15.5809 -18.0848 -15.5809 -3.36082 GPRESSAVG: 4496400 -3.86375 -7.43086 -18.4284 -13.1579 -7.73861 -14.9781 -19.386 -15.9075 -4.27804 TIMING: 4496400 CPU: 14524.1, 0.00317406/step Wall: 14524.1, 0.00317406/step, 0.444016 hours remaining, 234.945312 MB of memory in use. ENERGY: 4496400 3989.9525 20521.1000 14438.7215 252.5932 -203099.2899 2379.8677 0.0000 0.0000 52163.5022 -109353.5527 299.7844 -161517.0549 -108996.7499 300.0605 162.9118 191.0520 760593.7139 -5.3841 -5.2935 PRESSURE: 4496600 -295.512 35.6175 97.2968 35.6177 -185.829 185.03 97.2966 185.031 17.0451 GPRESSURE: 4496600 -196.465 22.3817 38.7857 21.9363 -215.326 154.288 9.04265 52.8949 13.9705 PRESSAVG: 4496600 -20.2271 -11.8961 -4.45717 -11.8961 0.662818 45.0878 -4.45712 45.0878 -19.3387 GPRESSAVG: 4496600 -21.2003 -16.4011 -4.97308 -10.0085 0.455119 43.51 -2.09325 43.9381 -17.644 TIMING: 4496600 CPU: 14524.7, 0.00311211/step Wall: 14524.7, 0.00311211/step, 0.435177 hours remaining, 235.281250 MB of memory in use. ENERGY: 4496600 4029.4106 20552.4546 14438.4738 239.8798 -203118.9170 2487.6868 0.0000 0.0000 51972.8457 -109398.1656 298.6887 -161371.0113 -109041.2004 299.8152 -154.7652 -132.6067 761728.4499 -12.9677 -12.7964 PRESSURE: 4496800 168.622 -58.0874 5.83924 -58.087 -0.372077 96.1666 5.83924 96.1658 188.687 GPRESSURE: 4496800 152.046 -107.041 51.0599 -5.44622 136.351 70.9239 64.97 115.018 169.258 PRESSAVG: 4496800 -1.84418 -3.40569 18.3666 -3.4056 -24.0281 60.6412 18.3666 60.6412 22.7321 GPRESSAVG: 4496800 0.276857 0.120192 19.0039 -4.79128 -23.9553 59.9906 16.2334 61.8591 20.868 TIMING: 4496800 CPU: 14525.3, 0.00312492/step Wall: 14525.3, 0.00312492/step, 0.436795 hours remaining, 235.281250 MB of memory in use. ENERGY: 4496800 3988.2563 20550.1169 14433.1555 235.3718 -202780.7116 2239.0715 0.0000 0.0000 52143.2925 -109191.4471 299.6682 -161334.7396 -108823.7896 299.1837 118.9790 152.5516 760803.4284 -1.0468 -0.9368 PRESSURE: 4497000 -244.567 157.726 -64.7542 157.726 236.615 75.1971 -64.7545 75.197 -277.214 GPRESSURE: 4497000 -166.547 136 0.331723 278.845 228.032 111.344 -101.243 126.831 -258.86 PRESSAVG: 4497000 36.9969 19.6689 -8.99646 19.6689 -12.0304 -14.0322 -8.99645 -14.0322 0.750372 GPRESSAVG: 4497000 35.4345 18.7282 -8.5832 23.0977 -12.1568 -13.4721 -9.25169 -14.5164 2.22282 TIMING: 4497000 CPU: 14525.9, 0.00311492/step Wall: 14525.9, 0.00311492/step, 0.435224 hours remaining, 235.281250 MB of memory in use. ENERGY: 4497000 3983.4755 20465.2983 14438.7744 247.6531 -202908.0283 2224.2621 0.0000 0.0000 52355.2176 -109193.3473 300.8862 -161548.5649 -108824.0473 299.4127 -95.0554 -65.7919 763173.6648 8.5723 8.5001 PRESSURE: 4497200 278.586 -64.7512 -62.8265 -64.7513 -158.75 148.918 -62.826 148.917 6.38337 GPRESSURE: 4497200 283.078 -20.7046 51.5926 -28.3507 -133.889 61.4793 -95.2762 176.364 48.3852 PRESSAVG: 4497200 83.8339 9.6216 17.1425 9.62162 -58.4898 37.9626 17.1425 37.9626 -7.07616 GPRESSAVG: 4497200 85.7561 9.91629 17.72 9.90028 -59.7127 38.7736 17.439 38.8947 -7.54737 TIMING: 4497200 CPU: 14526.5, 0.00311141/step Wall: 14526.5, 0.00311141/step, 0.43456 hours remaining, 235.281250 MB of memory in use. ENERGY: 4497200 4097.3549 20375.7747 14439.5046 242.9897 -203368.7718 2719.7665 0.0000 0.0000 51943.6907 -109549.6907 298.5211 -161493.3814 -109182.8997 299.1510 42.0729 65.8583 762641.6693 6.0893 6.1653 PRESSURE: 4497400 -53.5073 190.305 144.374 190.305 -76.3356 29.0874 144.374 29.0868 -54.8895 GPRESSURE: 4497400 -53.6496 149.264 130.819 148.913 -32.207 31.6175 103.263 -77.2692 -13.4672 PRESSAVG: 4497400 -21.9056 21.2804 46.6695 21.2804 -41.611 48.0472 46.6695 48.0472 22.1395 GPRESSAVG: 4497400 -22.8975 19.3813 44.484 18.2271 -40.3602 47.3875 46.2671 45.6892 22.1372 TIMING: 4497400 CPU: 14527.2, 0.00310381/step Wall: 14527.2, 0.00310381/step, 0.433327 hours remaining, 235.281250 MB of memory in use. ENERGY: 4497400 3874.7281 20417.3795 14415.8206 246.6905 -203402.0290 2573.3219 0.0000 0.0000 52021.7342 -109852.3542 298.9696 -161874.0884 -109477.3305 298.2540 -61.5775 -33.1079 762650.0774 -13.7924 -13.7068 PRESSURE: 4497600 -360.471 -52.831 -106.734 -52.8305 53.64 73.9434 -106.733 73.9424 132.417 GPRESSURE: 4497600 -273.443 -131.165 -116.38 -14.5034 35.3361 -17.7888 -73.8899 4.48576 156.069 PRESSAVG: 4497600 32.0019 39.8676 36.4776 39.8676 26.8049 40.0088 36.4775 40.0089 7.88685 GPRESSAVG: 4497600 33.2617 40.5825 38.1614 41.8402 25.6668 39.9066 36.6962 38.8755 7.96035 TIMING: 4497600 CPU: 14527.8, 0.0031304/step Wall: 14527.8, 0.0031304/step, 0.436865 hours remaining, 235.281250 MB of memory in use. ENERGY: 4497600 3972.0375 20545.0583 14440.6653 225.1506 -203075.0870 2267.6590 0.0000 0.0000 51875.0238 -109749.4926 298.1265 -161624.5164 -109395.4248 298.8912 -58.1380 -27.3458 762582.4216 22.2312 22.2963 PRESSURE: 4497800 -35.0662 73.8869 -196.414 73.8863 108.099 -36.9184 -196.414 -36.9186 475.047 GPRESSURE: 4497800 103.51 125.771 -268.646 3.48371 63.6528 -3.72257 -40.3798 74.6113 472.916 PRESSAVG: 4497800 -9.09152 -8.80932 1.42282 -8.80932 -29.9757 32.5333 1.4228 32.5333 14.777 GPRESSAVG: 4497800 -9.91181 -9.80628 0.297316 -11.5052 -28.5775 33.0891 3.01959 34.4511 14.748 TIMING: 4497800 CPU: 14528.4, 0.00311335/step Wall: 14528.4, 0.00311335/step, 0.434312 hours remaining, 235.281250 MB of memory in use. ENERGY: 4497800 3964.2676 20581.2048 14438.7044 243.6489 -203771.7956 2724.9410 0.0000 0.0000 51998.1275 -109820.9014 298.8340 -161819.0289 -109466.9227 298.6788 182.6932 213.3596 760963.2547 -8.0967 -7.9138 PRESSURE: 4498000 445.993 -7.92424 94.707 -7.9234 -42.7362 10.1574 94.7062 10.1572 121.822 GPRESSURE: 4498000 473.253 3.40328 1.31152 -14.8914 27.0258 26.5537 -58.9694 30.4156 135.416 PRESSAVG: 4498000 3.48242 -16.6271 14.4166 -16.6271 -30.096 -14.8714 14.4166 -14.8713 -19.6864 GPRESSAVG: 4498000 3.86645 -15.6688 14.1836 -15.1596 -30.976 -15.7708 14.7763 -12.9282 -18.8471 TIMING: 4498000 CPU: 14529, 0.0031015/step Wall: 14529, 0.0031015/step, 0.432487 hours remaining, 235.281250 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: 4498000 3956.9706 20287.6306 14427.4686 258.9365 -203699.7703 2748.3697 0.0000 0.0000 52213.0647 -109807.3296 300.0692 -162020.3943 -109438.8791 298.2409 175.0261 211.8983 760162.8055 -15.4333 -15.3189 PRESSURE: 4498200 89.9187 47.2502 -353.048 47.2498 -126.835 -42.5237 -353.047 -42.5224 233.88 GPRESSURE: 4498200 148.178 57.1959 -369.691 31.8595 -28.1592 -62.8381 -216.897 -68.2986 160.373 PRESSAVG: 4498200 23.4474 18.8151 31.8021 18.8151 -30.8141 17.5172 31.8021 17.5172 -26.6023 GPRESSAVG: 4498200 23.3228 19.8142 33.9928 17.1161 -29.2793 17.8246 28.6262 15.9999 -27.9402 TIMING: 4498200 CPU: 14529.7, 0.00311539/step Wall: 14529.7, 0.00311539/step, 0.434251 hours remaining, 235.281250 MB of memory in use. ENERGY: 4498200 3917.4714 20516.3961 14455.8360 220.3866 -203956.4410 2794.5657 0.0000 0.0000 52266.0371 -109785.7480 300.3736 -162051.7851 -109415.5739 298.8365 65.6545 93.4640 761212.7382 -11.3230 -11.2989 PRESSURE: 4498400 -39.4359 113.674 63.0342 113.674 -68.8034 -243.258 63.0347 -243.257 36.3014 GPRESSURE: 4498400 28.397 180.715 161.263 92.8965 -58.7083 -168.343 50.8248 -15.3822 57.1217 PRESSAVG: 4498400 34.9654 -19.702 42.5696 -19.702 -18.8058 24.2239 42.5697 24.2238 1.252 GPRESSAVG: 4498400 36.5598 -20.0913 41.8599 -17.4513 -20.4478 24.9721 44.2623 24.7363 1.91643 TIMING: 4498400 CPU: 14530.3, 0.00312016/step Wall: 14530.3, 0.00312016/step, 0.434743 hours remaining, 235.281250 MB of memory in use. ENERGY: 4498400 3847.2271 20587.8995 14443.4117 251.5804 -203601.4449 2449.4188 0.0000 0.0000 52165.7557 -109856.1516 299.7973 -162021.9072 -109489.5682 299.2808 -23.9793 8.9368 761170.0938 5.8039 6.0095 PRESSURE: 4498600 -67.5814 -218.696 -204.215 -218.697 -396.095 -116.491 -204.215 -116.491 -433.344 GPRESSURE: 4498600 -52.0828 -184.645 -190.379 -199.427 -383.47 -87.2707 -104.864 -179.023 -365.434 PRESSAVG: 4498600 36.1302 -69.583 44.417 -69.583 -35.3563 -16.5474 44.4169 -16.5474 4.9586 GPRESSAVG: 4498600 35.5133 -69.255 44.1575 -71.3094 -34.9145 -16.7546 46.3486 -17.7054 5.35443 TIMING: 4498600 CPU: 14530.9, 0.00311499/step Wall: 14530.9, 0.00311499/step, 0.433849 hours remaining, 235.281250 MB of memory in use. ENERGY: 4498600 3974.2006 20316.1415 14489.3828 254.4556 -202915.1546 2236.9309 0.0000 0.0000 52061.8785 -109582.1646 299.2003 -161644.0431 -109208.3727 299.0293 -299.0068 -266.9958 760781.5114 1.9108 1.9844 PRESSURE: 4498800 135.522 33.5709 108.367 33.5725 -8.58368 194.285 108.367 194.284 60.0158 GPRESSURE: 4498800 143.253 125.585 51.6126 44.5769 10.1988 65.7649 3.37182 140.417 108.415 PRESSAVG: 4498800 82.2261 -76.2178 66.5175 -76.2177 -18.3513 -26.5291 66.5176 -26.5292 -10.0279 GPRESSAVG: 4498800 81.5397 -76.4367 65.546 -76.2254 -18.2332 -26.7327 65.2166 -25.204 -9.99 TIMING: 4498800 CPU: 14531.5, 0.00312003/step Wall: 14531.5, 0.00312003/step, 0.434377 hours remaining, 235.281250 MB of memory in use. ENERGY: 4498800 3956.2560 20416.4421 14505.8143 246.0146 -203194.1759 2517.3092 0.0000 0.0000 51873.1944 -109679.1453 298.1160 -161552.3397 -109320.0207 299.1650 62.3180 87.2890 761532.3905 17.9490 17.7722 PRESSURE: 4499000 -106.766 -0.277159 11.9284 -0.277503 -29.9954 387.486 11.9276 387.484 33.659 GPRESSURE: 4499000 -56.8213 41.8411 65.0686 -62.1395 -27.4058 339.869 2.93495 257.105 81.093 PRESSAVG: 4499000 72.8537 -57.9063 -4.46224 -57.9063 -73.9966 37.0922 -4.46233 37.0923 19.775 GPRESSAVG: 4499000 73.0129 -57.6734 -2.82426 -56.3161 -74.1183 36.9263 -4.93829 37.0801 19.2037 TIMING: 4499000 CPU: 14532.2, 0.00311803/step Wall: 14532.2, 0.00311803/step, 0.433926 hours remaining, 235.281250 MB of memory in use. ENERGY: 4499000 3959.4602 20421.1400 14487.9048 259.9620 -203171.4402 2347.0356 0.0000 0.0000 51754.2262 -109941.7115 297.4322 -161695.9377 -109579.8746 298.5767 -34.3674 -1.0447 762065.8455 6.2107 6.0328 PRESSURE: 4499200 68.9296 31.4952 50.6019 31.4956 129.969 -249.695 50.602 -249.694 -54.1213 GPRESSURE: 4499200 133.518 0.494399 70.2961 82.0584 57.4073 -231.205 132.381 -158.654 47.8462 PRESSAVG: 4499200 26.4814 -35.4438 57.1014 -35.4438 -33.0648 -18.249 57.1013 -18.2489 2.85794 GPRESSAVG: 4499200 26.157 -34.6478 54.8359 -36.2794 -32.5403 -17.7571 59.3114 -16.9837 2.98009 TIMING: 4499200 CPU: 14532.8, 0.00312658/step Wall: 14532.8, 0.00312659/step, 0.434943 hours remaining, 235.281250 MB of memory in use. ENERGY: 4499200 4038.3359 20276.1643 14441.8035 245.4121 -202874.3585 2374.3403 0.0000 0.0000 51617.7884 -109880.5139 296.6481 -161498.3024 -109526.4337 297.8020 48.2591 79.5905 760299.5340 -1.2418 -1.1344 PRESSURE: 4499400 213.524 -2.19104 17.384 -2.19094 137.166 -123.068 17.3855 -123.068 248.26 GPRESSURE: 4499400 207.557 -30.3505 88.4279 4.70545 111.326 -165.223 41.7074 -52.7069 346.993 PRESSAVG: 4499400 32.6609 -27.7125 5.81871 -27.7125 -2.7487 -29.6914 5.81873 -29.6913 -16.7619 GPRESSAVG: 4499400 32.0886 -29.532 7.33898 -25.9183 -3.93803 -29.9955 3.02725 -33.0959 -15.3601 TIMING: 4499400 CPU: 14533.4, 0.00313421/step Wall: 14533.4, 0.00313421/step, 0.435829 hours remaining, 235.281250 MB of memory in use. ENERGY: 4499400 3905.3529 20474.9284 14401.1142 235.5111 -203129.2272 2554.0909 0.0000 0.0000 51856.3718 -109701.8578 298.0193 -161558.2295 -109335.0846 298.3663 199.6499 221.9587 760741.9974 4.3834 4.2635 PRESSURE: 4499600 -116.454 143.041 -70.1139 143.04 250.334 11.1816 -70.1139 11.1817 -81.4449 GPRESSURE: 4499600 -32.1744 213.974 -40.4206 46.1358 255.583 22.5978 -132.381 53.0378 -91.4251 PRESSAVG: 4499600 -54.4368 21.8916 -4.34301 21.8916 42.1162 -28.0775 -4.34301 -28.0775 39.9378 GPRESSAVG: 4499600 -53.959 23.8904 -3.77589 19.9343 42.2659 -27.5962 -5.97158 -26.0184 38.9824 TIMING: 4499600 CPU: 14534, 0.0031449/step Wall: 14534, 0.0031449/step, 0.437141 hours remaining, 235.281250 MB of memory in use. ENERGY: 4499600 3959.9227 20613.5763 14419.9785 233.3075 -203490.4561 2562.1453 0.0000 0.0000 51940.9861 -109760.5397 298.5056 -161701.5258 -109402.0260 298.3815 17.4784 43.9947 760006.7326 9.2057 9.0964 PRESSURE: 4499800 -111.205 -150.611 50.1294 -150.612 201.223 60.716 50.1296 60.7166 138.839 GPRESSURE: 4499800 -57.4709 -149.82 -28.9307 -119.572 209.083 27.3643 -18.7513 80.8126 167.938 PRESSAVG: 4499800 -7.70596 -22.3531 -5.17218 -22.3532 11.1305 -5.96401 -5.17219 -5.96406 -17.171 GPRESSAVG: 4499800 -7.56869 -23.6542 -5.2293 -21.3092 11.8083 -5.57638 -2.62009 -5.64358 -18.2635 TIMING: 4499800 CPU: 14534.7, 0.00312365/step Wall: 14534.7, 0.00312365/step, 0.434013 hours remaining, 235.281250 MB of memory in use. ENERGY: 4499800 3993.8068 20494.8447 14424.3871 236.9699 -203252.7892 2627.6796 0.0000 0.0000 51950.9689 -109524.1322 298.5629 -161475.1010 -109170.3009 298.6759 76.2856 106.5166 761387.4843 -4.5822 -4.6746 WRITING COORDINATES TO DCD FILE MD.4.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: 4500000 -122.518 16.9773 -121.367 16.977 -99.7666 146.478 -121.368 146.478 216.199 GPRESSURE: 4500000 -119.829 4.61904 -73.9063 63.9365 -71.1683 107.275 -32.2492 73.0153 285.283 PRESSAVG: 4500000 -19.7556 -45.901 32.2125 -45.9009 20.0594 4.74334 32.2126 4.74342 37.6208 GPRESSAVG: 4500000 -19.3368 -44.6199 31.6913 -46.2618 20.2124 3.72106 29.6535 2.87405 36.8873 TIMING: 4500000 CPU: 14535.3, 0.00344277/step Wall: 14535.3, 0.00344277/step, 0.478162 hours remaining, 235.281250 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: 4500000 3902.9037 20541.6332 14437.1278 240.7097 -203048.5097 2223.7751 0.0000 0.0000 52176.0799 -109526.2804 299.8566 -161702.3603 -109163.8568 299.5308 -2.0285 31.4286 760630.8856 12.6415 12.5876 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 PRESSURE: 4500200 -185.735 75.7202 -41.6841 75.7209 263.801 -115.091 -41.6843 -115.09 -328.543 GPRESSURE: 4500200 -135.359 56.3823 -79.7522 162.422 234.806 -65.2645 98.1976 -194.732 -264.459 PRESSAVG: 4500200 31.517 -19.5373 -0.0422563 -19.5373 -19.1733 -51.888 -0.042313 -51.888 6.98595 GPRESSAVG: 4500200 31.3197 -20.6456 -0.686065 -18.4588 -19.0451 -50.4399 3.07817 -50.4093 6.72238 TIMING: 4500200 CPU: 14536, 0.00314017/step Wall: 14536, 0.00314017/step, 0.43596 hours remaining, 235.281250 MB of memory in use. ENERGY: 4500200 3901.3813 20430.3657 14471.1081 244.4829 -203187.2990 2496.7096 0.0000 0.0000 51993.6163 -109649.6352 298.8080 -161643.2515 -109287.3246 299.6056 -83.4924 -55.0040 761015.2961 6.4432 6.3323 LDB: ============= START OF LOAD BALANCING ============== 14548.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14548.4 LDB: =============== DONE WITH MIGRATION ================ 14548.4 LDB: ============= START OF LOAD BALANCING ============== 14548.7 LDB: Largest compute 7068 load 0.031750 is 16.2% of average load 0.195455 LDB: Average compute 0.004396 is 2.2% of average load 0.195455 LDB: TIME 14548.7 LOAD: AVG 0.195455 MAX 0.215401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.816 MB LDB: TIME 14548.7 LOAD: AVG 0.195455 MAX 0.215401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.82 MB LDB: TIME 14548.7 LOAD: AVG 0.195455 MAX 0.215401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.82 MB LDB: ============== END OF LOAD BALANCING =============== 14548.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14548.7 PRESSURE: 4500400 112.833 58.9769 -291.662 58.977 -362.64 52.9659 -291.661 52.9647 -205.211 GPRESSURE: 4500400 79.6156 143.989 -332.226 175.962 -312.812 42.3463 -134.121 136.939 -121.619 PRESSAVG: 4500400 50.1336 58.468 -63.0871 58.468 -15.3206 5.79118 -63.0871 5.79122 11.1634 GPRESSAVG: 4500400 50.2861 59.3179 -62.547 57.3445 -15.6981 5.55256 -62.4253 4.88542 11.6016 TIMING: 4500400 CPU: 14536.6, 0.00319926/step Wall: 14536.6, 0.00319926/step, 0.443986 hours remaining, 234.882812 MB of memory in use. ENERGY: 4500400 3956.4191 20494.7551 14513.9333 240.3614 -203668.1510 2585.4112 0.0000 0.0000 52108.7972 -109768.4737 299.4700 -161877.2709 -109412.9857 299.3297 -151.6726 -118.2717 759433.7829 15.3255 15.3965 PRESSURE: 4500600 -143.742 -4.69404 200.666 -4.6937 531.376 173.516 200.666 173.515 -136.508 GPRESSURE: 4500600 -146.705 -32.0086 139.246 -85.7878 521.398 257.154 154.775 107.555 -27.2061 PRESSAVG: 4500600 30.269 -7.31496 -15.6139 -7.31493 9.22183 14.7499 -15.6138 14.75 7.43019 GPRESSAVG: 4500600 29.699 -8.97611 -15.5335 -7.19886 8.69288 14.2394 -18.5291 14.4623 8.84144 TIMING: 4500600 CPU: 14537.2, 0.0031345/step Wall: 14537.2, 0.0031345/step, 0.434825 hours remaining, 234.953125 MB of memory in use. ENERGY: 4500600 4002.1389 20429.7510 14449.2347 270.8682 -203522.3492 2480.1720 0.0000 0.0000 52335.6012 -109554.5832 300.7734 -161890.1844 -109184.6150 299.7527 83.7089 115.8288 760333.4218 15.6403 15.7445 PRESSURE: 4500800 -217.812 68.9356 -146.492 68.9355 -274.791 -29.2159 -146.491 -29.2162 183.856 GPRESSURE: 4500800 -140.051 168.76 -171.175 63.4824 -214.019 -81.0902 -72.2293 -65.43 137.278 PRESSAVG: 4500800 19.8085 -23.1387 -60.7866 -23.1387 -44.589 46.5028 -60.7866 46.5027 -21.3557 GPRESSAVG: 4500800 19.5247 -20.7873 -61.4359 -21.6809 -43.6304 46.3726 -59.6899 47.3208 -22.1636 TIMING: 4500800 CPU: 14537.9, 0.00313794/step Wall: 14537.9, 0.00313794/step, 0.435127 hours remaining, 234.953125 MB of memory in use. ENERGY: 4500800 3929.5844 20448.3337 14421.6904 254.5119 -203051.5040 2219.0503 0.0000 0.0000 52259.1719 -109519.1615 300.3342 -161778.3334 -109140.5295 299.7257 -102.9152 -72.2641 759911.8660 -15.3787 -15.4231 PRESSURE: 4501000 -66.256 30.5212 74.2528 30.5209 -161.821 41.9327 74.2532 41.934 19.0598 GPRESSURE: 4501000 -108.811 -97.7921 92.8729 -83.4088 -42.0728 48.5069 81.2614 64.1425 35.6739 PRESSAVG: 4501000 -9.05866 -5.05916 -76.3679 -5.05915 32.0338 12.1636 -76.368 12.1636 -2.35345 GPRESSAVG: 4501000 -8.64885 -7.41517 -73.9406 -5.65538 31.3136 12.3927 -77.4555 13.3492 -2.38978 TIMING: 4501000 CPU: 14538.5, 0.00313299/step Wall: 14538.5, 0.00313299/step, 0.434267 hours remaining, 234.953125 MB of memory in use. ENERGY: 4501000 3944.7570 20378.7116 14491.8599 253.0843 -202648.8537 2107.8079 0.0000 0.0000 52079.1324 -109393.5006 299.2995 -161472.6330 -109033.8614 299.5239 -69.6724 -38.4032 760448.3697 6.8739 6.7583 PRESSURE: 4501200 3.93208 121.292 -207.591 121.292 -164.971 -312.483 -207.591 -312.483 -92.2753 GPRESSURE: 4501200 45.7647 165.801 -283.234 167.105 -84.3411 -355.994 -109.302 -236.796 -121.862 PRESSAVG: 4501200 36.6983 -56.521 -42.5338 -56.521 -29.0051 53.1698 -42.5338 53.1698 -11.6245 GPRESSAVG: 4501200 37.3286 -54.1666 -43.721 -56.3323 -29.5697 52.4974 -42.9641 52.1659 -12.1929 TIMING: 4501200 CPU: 14539.1, 0.0031199/step Wall: 14539.1, 0.0031199/step, 0.43228 hours remaining, 234.953125 MB of memory in use. ENERGY: 4501200 3995.7729 20459.6375 14441.1654 237.6320 -202991.6536 2454.0269 0.0000 0.0000 52036.4816 -109366.9373 299.0544 -161403.4189 -109014.4346 299.6184 -84.4380 -53.4794 760591.7513 -1.3104 -1.4780 PRESSURE: 4501400 146.78 -72.7927 33.3018 -72.7924 -299.023 206.239 33.301 206.239 496.434 GPRESSURE: 4501400 106.897 -185.279 0.754215 24.8457 -161.654 157.029 232.823 19.3027 492.762 PRESSAVG: 4501400 47.7518 -8.84562 -81.4377 -8.84568 -55.4133 61.9714 -81.4377 61.9714 24.8744 GPRESSAVG: 4501400 46.8095 -10.1485 -82.6557 -9.65878 -54.4075 61.9611 -79.5641 61.7736 24.5431 TIMING: 4501400 CPU: 14539.7, 0.00312461/step Wall: 14539.7, 0.00312461/step, 0.432759 hours remaining, 234.953125 MB of memory in use. ENERGY: 4501400 3926.5602 20505.2088 14396.5115 213.5635 -203048.4236 2349.6807 0.0000 0.0000 52209.6711 -109447.2277 300.0497 -161656.8988 -109077.8164 300.2764 114.7302 146.0018 759371.6968 5.7376 5.6484 PRESSURE: 4501600 139.327 43.6019 -71.1621 43.6018 317.33 -230.862 -71.1619 -230.862 87.578 GPRESSURE: 4501600 146.128 91.3069 -84.7741 -23.1889 359.789 -189.323 12.2074 -280.306 139.558 PRESSAVG: 4501600 93.0663 -47.071 -45.9005 -47.071 -56.5782 5.00983 -45.9005 5.00985 -3.78471 GPRESSAVG: 4501600 93.2193 -45.7735 -44.6629 -45.491 -57.8587 5.32877 -47.3133 4.19411 -3.00339 TIMING: 4501600 CPU: 14540.4, 0.00312033/step Wall: 14540.4, 0.00312033/step, 0.431992 hours remaining, 234.953125 MB of memory in use. ENERGY: 4501600 3976.7927 20633.2831 14484.1317 271.0303 -203207.5869 2423.5246 0.0000 0.0000 52223.1461 -109195.6784 300.1271 -161418.8245 -108847.3206 300.5037 181.4117 215.1581 756760.5894 10.9011 10.7857 PRESSURE: 4501800 -75.7445 164.96 59.8499 164.959 -274.925 31.795 59.8502 31.7941 -208.768 GPRESSURE: 4501800 -99.0526 123.406 40.2352 196.571 -153.343 39.6759 131.639 166.964 -222.254 PRESSAVG: 4501800 85.8876 19.211 -76.0794 19.211 -22.5995 54.2972 -76.0794 54.2972 -7.5155 GPRESSAVG: 4501800 85.3866 19.7679 -76.0107 17.7403 -22.3103 56.0315 -73.6148 53.5416 -6.9105 TIMING: 4501800 CPU: 14541, 0.00312318/step Wall: 14541, 0.00312318/step, 0.432213 hours remaining, 234.953125 MB of memory in use. ENERGY: 4501800 3974.0480 20531.3505 14468.6666 268.4597 -203132.5081 2393.6812 0.0000 0.0000 52077.4200 -109418.8822 299.2896 -161496.3021 -109051.7737 300.4938 -186.4792 -158.2165 758459.2695 18.5909 18.7219 PRESSURE: 4502000 -311.695 -216.895 -37.0307 -216.896 -176.343 219.139 -37.0312 219.139 -97.4614 GPRESSURE: 4502000 -174.878 -141.119 -81.5621 -176.836 -193.138 137.197 6.11841 232.937 -129.301 PRESSAVG: 4502000 6.00266 -54.8738 -34.0105 -54.8737 -49.9237 -26.3038 -34.0105 -26.3039 -9.58662 GPRESSAVG: 4502000 6.63753 -55.7813 -33.6526 -53.9875 -49.0859 -25.9957 -36.1245 -23.8261 -10.9069 TIMING: 4502000 CPU: 14541.6, 0.00310958/step Wall: 14541.6, 0.00310958/step, 0.430158 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4502000 3949.0142 20411.8550 14470.8416 270.4858 -202982.4702 2182.5443 0.0000 0.0000 52199.3484 -109498.3809 299.9904 -161697.7293 -109137.3771 299.8267 -195.1663 -165.7723 760565.5115 -17.8359 -17.7851 PRESSURE: 4502200 294.293 -25.5276 -223.047 -25.5275 156.543 13.481 -223.047 13.4801 142.699 GPRESSURE: 4502200 333.872 29.529 -228.883 -6.39024 162.739 29.6985 -136.611 -17.0736 198.31 PRESSAVG: 4502200 44.8548 -51.8655 -44.1118 -51.8655 -58.5137 15.6676 -44.1119 15.6677 -14.264 GPRESSAVG: 4502200 44.7412 -51.8081 -45.0015 -51.1398 -58.5795 13.529 -43.6788 12.9146 -13.8965 TIMING: 4502200 CPU: 14542.2, 0.00312076/step Wall: 14542.2, 0.00312076/step, 0.431531 hours remaining, 234.953125 MB of memory in use. ENERGY: 4502200 3896.1615 20400.0264 14499.3250 245.0478 -203438.1050 2537.7243 0.0000 0.0000 52279.2208 -109580.5992 300.4494 -161859.8201 -109214.4879 299.6523 197.8448 231.6406 759286.5356 -9.3076 -9.2450 PRESSURE: 4502400 92.3185 -32.936 -46.1336 -32.9366 -356.959 -10.8111 -46.1338 -10.8108 -182.214 GPRESSURE: 4502400 90.3971 -6.60882 -50.3635 -11.9765 -273.83 21.3933 -88.0412 -80.274 -173.079 PRESSAVG: 4502400 52.3281 -47.621 -25.4947 -47.621 -61.793 14.4529 -25.4947 14.453 -16.0238 GPRESSAVG: 4502400 51.8969 -47.272 -26.4826 -49.1925 -61.3448 15.4345 -24.3015 15.9645 -15.9378 TIMING: 4502400 CPU: 14542.9, 0.00310278/step Wall: 14542.9, 0.00310277/step, 0.428872 hours remaining, 234.953125 MB of memory in use. ENERGY: 4502400 3990.2813 20316.8281 14522.6951 259.9280 -202804.0749 2117.7634 0.0000 0.0000 52013.7875 -109582.7915 298.9240 -161596.5789 -109219.4670 299.6908 -148.9518 -118.8371 760621.4244 -8.4962 -8.4619 PRESSURE: 4502600 133.779 -3.60502 -66.4245 -3.60489 -144.422 147.93 -66.4244 147.929 -312.534 GPRESSURE: 4502600 49.6031 -26.2821 -54.8483 -19.6615 16.9939 194.334 -196.098 18.7199 -330.061 PRESSAVG: 4502600 46.3963 19.3741 -37.2654 19.3742 -25.71 36.3112 -37.2654 36.3112 6.96573 GPRESSAVG: 4502600 46.6253 19.8234 -36.5743 19.4318 -25.8416 37.3628 -39.0449 33.8103 6.64802 TIMING: 4502600 CPU: 14543.5, 0.00310898/step Wall: 14543.5, 0.00310898/step, 0.429557 hours remaining, 234.953125 MB of memory in use. ENERGY: 4502600 3911.8906 20515.3708 14482.4484 245.7066 -203466.8055 2764.5069 0.0000 0.0000 52119.0310 -109427.8511 299.5288 -161546.8822 -109065.5890 299.2208 -107.7253 -87.8215 762228.3244 9.2173 9.1439 PRESSURE: 4502800 -94.8197 -44.4083 44.8055 -44.4091 -162.594 -249.452 44.8049 -249.453 -142.766 GPRESSURE: 4502800 -53.1374 -53.8496 127.605 91.9519 -136.844 -291.739 77.0086 -105.376 -112.402 PRESSAVG: 4502800 41.1356 -25.4484 -48.1514 -25.4483 -63.8845 -4.1184 -48.1514 -4.11848 31.214 GPRESSAVG: 4502800 40.5501 -25.1947 -48.84 -24.3747 -64.4004 -6.18211 -47.9464 -1.61692 32.355 TIMING: 4502800 CPU: 14544.1, 0.00311187/step Wall: 14544.1, 0.00311187/step, 0.429784 hours remaining, 234.953125 MB of memory in use. ENERGY: 4502800 4046.7294 20633.0864 14456.6657 235.7263 -203391.1554 2549.6895 0.0000 0.0000 52095.8590 -109373.3991 299.3956 -161469.2581 -109015.9773 299.2870 -133.3932 -100.7945 762301.9493 2.8217 2.8349 PRESSURE: 4503000 -364.571 -90.2259 -95.8079 -90.2246 6.38242 61.2335 -95.8075 61.2331 -703.932 GPRESSURE: 4503000 -352.98 -155.182 -54.8272 -113.81 -21.4849 171.377 -14.2908 24.0135 -587.004 PRESSAVG: 4503000 -31.1824 35.346 -2.2546 35.346 25.7307 38.1923 -2.25461 38.1923 6.05791 GPRESSAVG: 4503000 -30.2733 32.7948 -1.45629 35.2466 25.2346 39.8823 -2.41443 39.0234 6.06634 TIMING: 4503000 CPU: 14544.7, 0.00312222/step Wall: 14544.7, 0.00312222/step, 0.43104 hours remaining, 234.953125 MB of memory in use. ENERGY: 4503000 3972.1403 20482.9497 14525.4130 252.3889 -202947.6897 2114.4800 0.0000 0.0000 52140.5304 -109459.7875 299.6523 -161600.3178 -109093.8632 299.5893 -354.0403 -320.4895 761396.6533 0.2021 0.3425 PRESSURE: 4503200 -292.086 -72.3781 -144.467 -72.3777 113.561 300.006 -144.467 300.007 -486.735 GPRESSURE: 4503200 -262.743 -28.1192 -118.481 57.5382 185.154 216.774 -85.0461 96.113 -506.721 PRESSAVG: 4503200 -9.23187 44.7681 -14.9869 44.7681 -13.9671 18.0389 -14.987 18.039 -0.697941 GPRESSAVG: 4503200 -8.61572 46.3392 -15.3012 43.563 -13.2961 14.8992 -15.1588 16.872 -1.60163 TIMING: 4503200 CPU: 14545.4, 0.0031093/step Wall: 14545.4, 0.0031093/step, 0.429083 hours remaining, 234.953125 MB of memory in use. ENERGY: 4503200 3998.1389 20606.9307 14506.7260 234.4335 -203354.1072 2489.7098 0.0000 0.0000 52057.2005 -109460.9679 299.1734 -161518.1683 -109114.4969 299.4697 -221.7534 -194.7701 761234.6371 -7.9657 -7.8378 PRESSURE: 4503400 -230.788 286.254 -81.61 286.254 -265.218 -216.514 -81.6097 -216.513 -97.4802 GPRESSURE: 4503400 -235.101 270.49 -41.8613 298.093 -286.647 -193.64 -73.3407 -87.1043 -4.47833 PRESSAVG: 4503400 33.8647 4.1895 -79.6561 4.18944 7.31784 48.7546 -79.6561 48.7545 11.8425 GPRESSAVG: 4503400 33.4477 2.93035 -79.6811 5.82653 7.74999 50.4629 -78.1242 49.9826 12.0067 TIMING: 4503400 CPU: 14546, 0.0031312/step Wall: 14546, 0.0031312/step, 0.431932 hours remaining, 234.953125 MB of memory in use. ENERGY: 4503400 4009.9529 20489.4323 14523.0118 239.2872 -203100.2733 2377.3583 0.0000 0.0000 51985.1177 -109476.1131 298.7592 -161461.2309 -109121.5554 299.6489 -197.8290 -175.4088 761671.1125 17.6750 17.7348 PRESSURE: 4503600 97.2737 156.951 -38.0155 156.951 -332.796 -56.8691 -38.0156 -56.8695 -151.561 GPRESSURE: 4503600 83.1081 126.78 -65.6216 87.7617 -259.595 -190.336 -9.03905 -68.0667 -137.067 PRESSAVG: 4503600 62.1358 -37.2779 -15.8533 -37.278 -58.9673 25.9139 -15.8533 25.9139 1.92555 GPRESSAVG: 4503600 62.1773 -34.7943 -16.9041 -37.5512 -60.0015 25.0422 -16.7976 25.661 2.47671 TIMING: 4503600 CPU: 14546.6, 0.0031191/step Wall: 14546.6, 0.0031191/step, 0.43009 hours remaining, 234.953125 MB of memory in use. ENERGY: 4503600 4004.3761 20542.9384 14466.9033 289.4603 -203255.5897 2358.7088 0.0000 0.0000 52178.2117 -109414.9911 299.8689 -161593.2029 -109054.1368 299.6125 -129.0278 -104.5181 760214.8583 1.6980 1.5508 PRESSURE: 4503800 93.0275 -117.452 -158.434 -117.451 -26.9974 141.84 -158.434 141.839 -754.496 GPRESSURE: 4503800 14.0565 -154.584 -125.698 -56.731 33.4844 187.967 -169.372 76.5527 -651.203 PRESSAVG: 4503800 53.7971 -38.3294 -41.3914 -38.3294 -3.68966 -6.50028 -41.3914 -6.50026 -18.127 GPRESSAVG: 4503800 54.0657 -39.8111 -39.2747 -37.0448 -3.53374 -5.63976 -43.4015 -6.16571 -18.8377 TIMING: 4503800 CPU: 14547.2, 0.00314268/step Wall: 14547.2, 0.00314268/step, 0.433165 hours remaining, 234.953125 MB of memory in use. ENERGY: 4503800 3983.2421 20714.5120 14466.1244 254.1172 -203034.2780 2237.0937 0.0000 0.0000 52329.9159 -109049.2727 300.7407 -161379.1886 -108680.7305 300.1705 -229.4887 -201.2207 760931.9628 10.6602 10.5647 PRESSURE: 4504000 223.914 199.108 -21.2246 199.108 61.8515 -160.818 -21.2256 -160.819 -338.067 GPRESSURE: 4504000 246.679 -19.5455 57.8768 277.473 86.9492 -216.329 -72.0277 -65.5582 -281.959 PRESSAVG: 4504000 14.3328 -30.6827 -25.427 -30.6827 -41.7461 29.8847 -25.427 29.8847 -11.879 GPRESSAVG: 4504000 15.1743 -28.741 -26.7736 -31.1169 -42.2036 30.6888 -23.337 28.0218 -12.2603 TIMING: 4504000 CPU: 14547.9, 0.0031371/step Wall: 14547.9, 0.0031371/step, 0.432222 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4504000 4008.2950 20597.3382 14471.7069 247.8573 -203245.0788 2619.1858 0.0000 0.0000 52278.3803 -109022.3153 300.4446 -161300.6957 -108662.4191 300.7851 -17.4337 17.2229 759537.5683 -13.0974 -13.0965 PRESSURE: 4504200 -228.647 66.9835 5.35769 66.9843 -111.904 231.987 5.35742 231.985 -106.155 GPRESSURE: 4504200 -177.832 -42.9271 -67.7081 151.021 -115.874 157.429 -79.3456 250.285 -80.9768 PRESSAVG: 4504200 32.9735 12.7555 5.50269 12.7554 -37.9974 48.6277 5.50263 48.6276 -12.1671 GPRESSAVG: 4504200 32.0132 13.6914 5.69536 11.2585 -37.3478 46.8034 4.20998 51.9022 -12.2847 TIMING: 4504200 CPU: 14548.5, 0.00313979/step Wall: 14548.5, 0.00313979/step, 0.432419 hours remaining, 234.953125 MB of memory in use. ENERGY: 4504200 3993.7934 20673.0835 14341.9767 251.1457 -202887.8431 2179.9499 0.0000 0.0000 52250.7223 -109197.1716 300.2856 -161447.8939 -108828.2698 299.9893 -148.9017 -124.8945 761477.9881 -5.7304 -5.8731 LDB: ============= START OF LOAD BALANCING ============== 14560.9 LDB: ============== END OF LOAD BALANCING =============== 14560.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14560.9 LDB: ============= START OF LOAD BALANCING ============== 14561.2 LDB: Largest compute 7048 load 0.032916 is 16.8% of average load 0.195622 LDB: Average compute 0.004374 is 2.2% of average load 0.195622 LDB: TIME 14561.2 LOAD: AVG 0.195622 MAX 0.212052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 14561.2 LOAD: AVG 0.195622 MAX 0.212052 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 14561.2 LOAD: AVG 0.195622 MAX 0.212052 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 14561.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14561.2 PRESSURE: 4504400 -244.628 184.203 -127.863 184.203 -405.645 209.903 -127.863 209.905 -124.283 GPRESSURE: 4504400 -164.621 143.089 -189.214 75.445 -411.718 194.89 92.168 298.527 -120.43 PRESSAVG: 4504400 44.2495 -31.7627 11.8261 -31.7627 -70.5452 44.3574 11.8261 44.3573 -2.70627 GPRESSAVG: 4504400 44.3171 -33.5782 10.696 -31.0446 -71.512 43.6902 14.3631 43.3004 -1.50665 TIMING: 4504400 CPU: 14549.1, 0.00320327/step Wall: 14549.1, 0.00320327/step, 0.440984 hours remaining, 233.398438 MB of memory in use. ENERGY: 4504400 4034.5420 20382.8710 14485.4999 233.8674 -203103.1729 2376.2385 0.0000 0.0000 52484.6817 -109105.4725 301.6302 -161590.1541 -108742.3760 300.1626 -258.1856 -232.2560 762383.7395 -9.6673 -9.5672 PRESSURE: 4504600 262.984 37.0487 25.1341 37.0487 -227.557 19.6569 25.135 19.656 -53.4087 GPRESSURE: 4504600 245.001 -2.79792 40.5426 -33.2109 -171.506 42.1122 57.0654 91.6969 -7.65587 PRESSAVG: 4504600 70.7922 -20.7455 2.85119 -20.7455 -98.6566 -7.13327 2.85116 -7.13336 20.8321 GPRESSAVG: 4504600 71.6348 -20.904 4.42613 -20.8483 -97.9118 -5.40845 2.68037 -9.26922 18.7184 TIMING: 4504600 CPU: 14549.8, 0.00313903/step Wall: 14549.8, 0.00313903/step, 0.431966 hours remaining, 233.597656 MB of memory in use. ENERGY: 4504600 4006.3290 20554.0118 14529.0906 244.0928 -203594.0411 2508.8385 0.0000 0.0000 52452.7834 -109298.8951 301.4469 -161751.6785 -108940.5725 300.4175 -5.9937 21.9463 759263.3563 -2.3441 -2.5195 PRESSURE: 4504800 7.39042 -11.9559 -22.2995 -11.955 252.287 -20.8056 -22.2988 -20.8053 103.967 GPRESSURE: 4504800 98.5826 25.2011 -28.6899 -17.8449 268.156 58.9905 -44.1449 73.2773 91.3593 PRESSAVG: 4504800 43.8271 7.25294 51.7191 7.25298 -30.9767 18.7815 51.7192 18.7814 19.3568 GPRESSAVG: 4504800 42.2845 6.88518 49.7703 6.90016 -32.3678 20.0088 48.4778 18.105 21.453 TIMING: 4504800 CPU: 14550.4, 0.003131/step Wall: 14550.4, 0.003131/step, 0.430686 hours remaining, 233.597656 MB of memory in use. ENERGY: 4504800 4034.0760 20613.0536 14482.4173 236.8073 -203354.4093 2471.4476 0.0000 0.0000 51850.6785 -109665.9290 297.9866 -161516.6074 -109310.6500 299.5341 121.2149 152.6994 759958.5036 10.7357 10.4566 PRESSURE: 4505000 268.693 -244.273 -158.794 -244.273 -2.13566 -45.469 -158.794 -45.4688 68.0064 GPRESSURE: 4505000 274.838 -245.733 -215.651 -190.524 76.5113 4.61884 -70.0398 113.772 67.9407 PRESSAVG: 4505000 21.5013 20.0232 5.78937 20.0231 5.97435 31.9667 5.78938 31.9668 15.1008 GPRESSAVG: 4505000 23.6283 17.1787 6.4048 20.7764 5.70051 30.3343 7.5273 33.7513 13.1155 TIMING: 4505000 CPU: 14551, 0.00310919/step Wall: 14551, 0.00310919/step, 0.427514 hours remaining, 233.597656 MB of memory in use. ENERGY: 4505000 4015.5961 20549.7621 14494.6209 230.8880 -203620.0536 2728.7209 0.0000 0.0000 51846.0688 -109754.3969 297.9601 -161600.4656 -109398.6414 299.1044 111.5213 139.7632 758305.7472 14.1922 14.1481 PRESSURE: 4505200 -104.885 47.2368 -11.0976 47.2374 154.03 109.902 -11.0971 109.903 34.8868 GPRESSURE: 4505200 -94.8629 0.518848 36.2163 34.8361 183.465 131.516 -6.22833 116.272 105.228 PRESSAVG: 4505200 66.4625 -9.70871 -49.4692 -9.70864 -17.3315 14.3211 -49.4692 14.3212 -10.2188 GPRESSAVG: 4505200 63.9734 -3.21917 -49.7154 -12.4225 -16.5175 14.281 -49.0405 14.6711 -8.18384 TIMING: 4505200 CPU: 14551.6, 0.0031266/step Wall: 14551.6, 0.0031266/step, 0.429733 hours remaining, 233.597656 MB of memory in use. ENERGY: 4505200 3975.5709 20435.6538 14442.1444 256.8757 -203834.1762 2569.8390 0.0000 0.0000 52313.7832 -109840.3094 300.6480 -162154.0926 -109466.7956 298.9737 28.0106 64.6100 758402.9762 12.9708 13.0907 PRESSURE: 4505400 141.298 96.4553 14.4001 96.455 -94.9705 171.377 14.4005 171.378 -127.622 GPRESSURE: 4505400 209.884 55.7257 70.2409 -14.2577 -77.767 220.505 -87.1169 -25.1644 -132.942 PRESSAVG: 4505400 13.5246 -7.12267 -11.5329 -7.12272 -21.7537 41.573 -11.5328 41.573 26.4551 GPRESSAVG: 4505400 12.6323 -11.2278 -11.6508 -5.63274 -22.2606 40.97 -12.3057 40.6571 27.1306 TIMING: 4505400 CPU: 14552.3, 0.00312372/step Wall: 14552.3, 0.00312372/step, 0.429164 hours remaining, 233.597656 MB of memory in use. ENERGY: 4505400 3978.6463 20612.5427 14473.3987 255.4146 -203502.9448 2588.7741 0.0000 0.0000 51820.2038 -109773.9645 297.8114 -161594.1683 -109410.0721 298.6549 -27.0983 -0.2749 761236.9061 6.0753 5.8341 PRESSURE: 4505600 -45.6256 113.769 -79.5727 113.769 -203.33 88.2439 -79.5724 88.2436 -1.73851 GPRESSURE: 4505600 -9.66662 152.511 -66.7786 38.7138 -165.633 32.6579 -136.316 110.887 10.7462 PRESSAVG: 4505600 -13.5641 8.83514 4.95995 8.83514 7.71562 30.2891 4.95996 30.289 -19.3273 GPRESSAVG: 4505600 -11.5011 7.93987 6.0938 7.70905 7.40205 31.2394 6.9641 28.3461 -20.4326 TIMING: 4505600 CPU: 14552.9, 0.00314172/step Wall: 14552.9, 0.00314172/step, 0.431463 hours remaining, 233.597656 MB of memory in use. ENERGY: 4505600 3971.9904 20708.4702 14508.3028 255.2370 -203522.8471 2616.0072 0.0000 0.0000 51841.2296 -109621.6100 297.9323 -161462.8397 -109264.4878 299.2601 -83.5649 -54.8513 761418.9669 -8.3919 -8.1772 PRESSURE: 4505800 -175.173 -216.009 176.316 -216.009 -205.004 -76.7749 176.316 -76.775 112.932 GPRESSURE: 4505800 -137.772 -275.377 184.217 -70.2649 -113.056 -118.177 267.631 -10.3588 61.3089 PRESSAVG: 4505800 -50.8636 -15.1294 -9.48846 -15.1293 29.7991 52.1424 -9.4884 52.1425 -6.04585 GPRESSAVG: 4505800 -52.7447 -15.8785 -10.9809 -13.2942 31.5446 51.3482 -11.362 54.1959 -5.71955 TIMING: 4505800 CPU: 14553.5, 0.00314333/step Wall: 14553.5, 0.00314333/step, 0.43151 hours remaining, 233.597656 MB of memory in use. ENERGY: 4505800 3994.7039 20527.9518 14443.4252 237.8133 -203474.3541 2578.3037 0.0000 0.0000 51981.8947 -109710.2615 298.7407 -161692.1562 -109361.0407 298.6717 -89.0817 -63.1731 761009.5133 -9.0368 -8.9732 PRESSURE: 4506000 -10.7211 31.9986 106.882 31.9989 36.5019 -200.67 106.882 -200.67 -26.1539 GPRESSURE: 4506000 -8.3584 14.0638 118.315 -0.367112 67.1366 -231.02 121.164 -134.202 29.5687 PRESSAVG: 4506000 5.82497 13.1653 -3.98622 13.1652 -22.5848 -45.6237 -3.98625 -45.6238 -7.66012 GPRESSAVG: 4506000 6.91189 14.4271 -2.23748 9.65819 -23.3462 -45.2154 -3.32064 -45.306 -8.14889 TIMING: 4506000 CPU: 14554.1, 0.00313062/step Wall: 14554.1, 0.00313062/step, 0.429591 hours remaining, 233.597656 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: 4506000 4047.4572 20216.4648 14461.1066 234.7156 -203399.8105 2515.5454 0.0000 0.0000 52038.2296 -109886.2914 299.0644 -161924.5210 -109511.9285 298.6699 -0.1244 29.4490 759405.2281 -8.1400 -8.1944 PRESSURE: 4506200 199.63 171.444 -8.49207 171.445 24.7702 33.8811 -8.49203 33.8811 -110.033 GPRESSURE: 4506200 212.496 125.619 69.307 143.692 55.7501 91.6249 -174.651 83.1407 -90.3782 PRESSAVG: 4506200 28.235 -1.65254 -1.56963 -1.65251 -56.659 66.4221 -1.56959 66.4221 -0.00357479 GPRESSAVG: 4506200 27.6711 -1.58786 -3.73045 1.50966 -57.3353 67.0891 -1.27938 66.0709 1.00951 TIMING: 4506200 CPU: 14554.8, 0.0031418/step Wall: 14554.8, 0.0031418/step, 0.43095 hours remaining, 233.597656 MB of memory in use. ENERGY: 4506200 4083.3164 20580.2264 14416.7192 249.7970 -203389.7679 2603.6404 0.0000 0.0000 51543.9895 -109912.0791 296.2240 -161456.0686 -109559.9471 298.0012 38.1226 59.2892 761316.7258 -9.4759 -9.5516 PRESSURE: 4506400 53.382 109.42 98.2006 109.42 110.081 55.6514 98.2007 55.6517 -152.882 GPRESSURE: 4506400 46.3159 93.1713 134.518 79.5844 147.619 155.614 23.0048 -11.773 -97.5621 PRESSAVG: 4506400 79.6221 -37.3175 -18.1606 -37.3175 -39.094 19.0863 -18.1606 19.0864 29.2412 GPRESSAVG: 4506400 80.1592 -36.2773 -17.3456 -37.9312 -39.5504 19.4391 -18.0885 19.0286 29.4158 TIMING: 4506400 CPU: 14555.4, 0.0031341/step Wall: 14555.4, 0.0031341/step, 0.42972 hours remaining, 233.597656 MB of memory in use. ENERGY: 4506400 3978.5589 20396.7039 14474.5324 240.7237 -203217.2726 2464.5811 0.0000 0.0000 51801.6169 -109860.5558 297.7046 -161662.1727 -109497.2489 297.7362 3.5270 32.1243 761167.9071 23.2564 23.3415 PRESSURE: 4506600 -22.3047 -309.649 126.29 -309.65 -60.7193 72.7664 126.29 72.766 -393.218 GPRESSURE: 4506600 -21.9884 -275.337 163.537 -395.245 -7.17553 40.2047 180.086 153.183 -364.656 PRESSAVG: 4506600 58.6516 -54.0144 22.1865 -54.0143 -39.4823 24.3108 22.1864 24.3107 20.5555 GPRESSAVG: 4506600 59.4862 -52.9011 22.5602 -54.9644 -39.1478 23.2999 22.347 24.777 20.2014 TIMING: 4506600 CPU: 14556, 0.00313143/step Wall: 14556, 0.00313143/step, 0.429179 hours remaining, 233.597656 MB of memory in use. ENERGY: 4506600 3993.5529 20358.2778 14515.7898 248.2944 -203239.4338 2277.1899 0.0000 0.0000 51932.0018 -109914.3272 298.4539 -161846.3289 -109558.4343 298.5408 -158.7474 -131.2733 761048.1407 13.2416 13.5132 PRESSURE: 4506800 -524.965 -110.742 143.435 -110.743 221.316 -169.086 143.436 -169.085 116.194 GPRESSURE: 4506800 -448.121 19.7336 74.2349 -8.45019 251.765 -187.834 116.222 -179.638 85.4576 PRESSAVG: 4506800 21.1489 -32.7427 -2.7294 -32.7428 -19.1765 35.1785 -2.72937 35.1786 16.3427 GPRESSAVG: 4506800 20.0563 -33.7408 -3.7054 -30.5742 -18.4096 35.0789 -1.99645 33.7774 16.1648 TIMING: 4506800 CPU: 14556.6, 0.00312002/step Wall: 14556.6, 0.00312002/step, 0.427443 hours remaining, 233.597656 MB of memory in use. ENERGY: 4506800 4048.5801 20479.8366 14432.7485 244.9666 -202772.9126 2299.9000 0.0000 0.0000 51706.2597 -109560.6211 297.1566 -161266.8808 -109200.1524 298.7628 -62.4850 -36.9659 759914.2325 6.1050 5.9372 PRESSURE: 4507000 -176.025 30.7297 94.5943 30.7296 41.6322 12.1914 94.5941 12.1912 -139.465 GPRESSURE: 4507000 -39.5002 86.6831 148.442 -54.4947 -19.093 77.4694 118.445 26.5928 -124.775 PRESSAVG: 4507000 -1.62794 -17.4185 62.4985 -17.4184 2.84805 26.9492 62.4985 26.9492 -10.2314 GPRESSAVG: 4507000 0.0770833 -17.6501 64.1606 -18.318 1.04792 28.593 62.848 27.3067 -10.7706 TIMING: 4507000 CPU: 14557.3, 0.00311396/step Wall: 14557.3, 0.00311396/step, 0.426439 hours remaining, 233.597656 MB of memory in use. ENERGY: 4507000 3960.2036 20523.0957 14466.0478 246.2113 -203203.7325 2348.2412 0.0000 0.0000 52146.0705 -109513.8624 299.6842 -161659.9329 -109141.7891 298.9769 -91.2861 -61.1229 760639.1638 -3.0037 -3.2152 PRESSURE: 4507200 -93.4841 76.8018 -83.1033 76.8022 -441.101 -76.7544 -83.1035 -76.7541 317.848 GPRESSURE: 4507200 -85.5719 114.133 -63.7844 90.3643 -385.21 -155.437 -17.1086 -1.13369 329.93 PRESSAVG: 4507200 36.1319 -4.81922 8.08781 -4.8192 -46.0522 -47.4672 8.08779 -47.4672 5.13908 GPRESSAVG: 4507200 35.7503 -5.44937 6.52165 -3.11338 -45.6404 -48.1877 6.68529 -47.273 5.30356 TIMING: 4507200 CPU: 14557.9, 0.00313462/step Wall: 14557.9, 0.00313462/step, 0.429095 hours remaining, 233.597656 MB of memory in use. ENERGY: 4507200 4024.9227 20392.8385 14419.9652 265.9893 -202947.2892 2217.5955 0.0000 0.0000 52014.4131 -109611.5649 298.9275 -161625.9780 -109259.9957 298.9967 -72.2456 -46.9507 761576.2092 -1.5938 -1.5289 PRESSURE: 4507400 127.065 70.9842 -148.005 70.9843 -67.8088 -114.767 -148.005 -114.766 47.6922 GPRESSURE: 4507400 169.349 -114.67 -159.488 70.7892 25.8395 -244.038 -112.773 -45.4961 3.76802 PRESSAVG: 4507400 69.291 18.5089 -23.3502 18.5089 -102.232 -72.8636 -23.3502 -72.8635 11.1439 GPRESSAVG: 4507400 66.8419 18.5992 -23.2167 19.0144 -101.605 -73.2683 -23.9395 -73.7862 12.3025 TIMING: 4507400 CPU: 14558.5, 0.00312226/step Wall: 14558.5, 0.00312226/step, 0.427229 hours remaining, 233.597656 MB of memory in use. ENERGY: 4507400 3961.1801 20356.8737 14419.4604 231.3003 -203376.7514 2447.2166 0.0000 0.0000 52310.1705 -109650.5498 300.6273 -161960.7203 -109291.7188 298.9967 35.6494 66.3190 760210.0975 -7.2656 -7.4868 PRESSURE: 4507600 -290.795 -305.475 -13.2328 -305.476 -168.05 104.129 -13.2327 104.13 77.2896 GPRESSURE: 4507600 -309.848 -308.56 77.2438 -321.157 -115.712 76.4841 10.6107 71.9523 118.124 PRESSAVG: 4507600 51.9657 12.6991 -5.44758 12.6991 -96.3781 -39.0433 -5.44759 -39.0433 2.56554 GPRESSAVG: 4507600 53.7859 13.0087 -5.04022 10.7651 -97.6685 -39.8867 -5.93854 -37.5595 1.88202 TIMING: 4507600 CPU: 14559.1, 0.00311319/step Wall: 14559.1, 0.00311319/step, 0.425816 hours remaining, 233.597656 MB of memory in use. ENERGY: 4507600 3950.6165 20419.6165 14493.9074 259.9806 -203310.8630 2399.7977 0.0000 0.0000 52167.7804 -109619.1639 299.8090 -161786.9443 -109258.4773 299.2020 -127.1851 -102.4787 761289.6244 -13.9490 -14.0002 PRESSURE: 4507800 434.178 -110.155 56.7102 -110.155 -252.347 -94.6255 56.7097 -94.6266 -196.168 GPRESSURE: 4507800 367.672 -19.3813 54.5004 -53.823 -142.056 -117.267 96.5736 -4.89928 -154.626 PRESSAVG: 4507800 71.1874 -48.4994 17.0736 -48.4994 -68.9838 -50.0417 17.0736 -50.0417 -11.6345 GPRESSAVG: 4507800 70.3162 -47.2424 17.0325 -46.5401 -68.3202 -48.323 19.4847 -50.1177 -11.3869 TIMING: 4507800 CPU: 14559.8, 0.00312258/step Wall: 14559.8, 0.00312258/step, 0.426926 hours remaining, 233.597656 MB of memory in use. ENERGY: 4507800 4079.7972 20427.5391 14441.6878 259.3551 -203612.5328 2644.6236 0.0000 0.0000 52285.7617 -109473.7684 300.4870 -161759.5301 -109118.8669 299.9931 -4.7790 23.6637 759765.7730 -3.1436 -3.1303 PRESSURE: 4508000 -295.896 -1.39664 -109.59 -1.39639 -512.875 -201.119 -109.59 -201.119 -453.017 GPRESSURE: 4508000 -280.018 -33.8567 -81.6421 -38.7282 -491.937 -109.425 -144.773 -220.105 -400.936 PRESSAVG: 4508000 90.9591 -6.45259 56.963 -6.45251 -56.5379 -6.74219 56.963 -6.74217 -5.31455 GPRESSAVG: 4508000 91.3339 -6.96271 56.6104 -9.47578 -56.6207 -7.63148 54.7988 -9.16742 -5.44343 TIMING: 4508000 CPU: 14560.4, 0.00313026/step Wall: 14560.4, 0.00313026/step, 0.427802 hours remaining, 233.597656 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: 4508000 4024.6896 20520.2262 14482.6431 232.2354 -202871.1198 2166.2859 0.0000 0.0000 52028.1127 -109416.9270 299.0063 -161445.0397 -109061.8975 299.8301 -420.5960 -390.9638 762420.1219 9.7022 9.7566 PRESSURE: 4508200 -195.511 139.414 375.982 139.414 -0.372708 -141.246 375.981 -141.246 260.984 GPRESSURE: 4508200 -73.9395 152.652 400.744 122.023 17.5811 -114.735 236.272 -206.651 237.479 PRESSAVG: 4508200 65.9519 7.83856 21.7074 7.83851 -91.11 -40.454 21.7074 -40.4541 1.83948 GPRESSAVG: 4508200 65.9507 9.00281 21.4091 9.68113 -91.2547 -39.8604 24.2848 -40.6051 2.35659 TIMING: 4508200 CPU: 14561, 0.00313217/step Wall: 14561, 0.00313217/step, 0.427889 hours remaining, 233.597656 MB of memory in use. ENERGY: 4508200 4019.3955 20527.3268 14466.6260 238.9907 -203139.0545 2496.0239 0.0000 0.0000 52137.8628 -109252.8289 299.6370 -161390.6916 -108903.3971 299.6317 21.7001 60.3734 760744.5611 -7.7728 -7.6491 LDB: ============= START OF LOAD BALANCING ============== 14573.4 LDB: ============== END OF LOAD BALANCING =============== 14573.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14573.4 LDB: ============= START OF LOAD BALANCING ============== 14573.8 LDB: Largest compute 7068 load 0.033106 is 16.9% of average load 0.195564 LDB: Average compute 0.004394 is 2.2% of average load 0.195564 LDB: TIME 14573.8 LOAD: AVG 0.195564 MAX 0.215382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.516 MB LDB: TIME 14573.8 LOAD: AVG 0.195564 MAX 0.215382 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 14573.8 LOAD: AVG 0.195564 MAX 0.215382 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 14573.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14573.8 PRESSURE: 4508400 -93.4519 -29.0249 -64.349 -29.0247 -243.942 1.36333 -64.35 1.36213 -174.945 GPRESSURE: 4508400 -111.73 -147.258 -49.1221 -116.851 -213.95 -29.5466 81.9448 84.7269 -111.956 PRESSAVG: 4508400 39.3326 4.62651 19.5905 4.62654 -56.9336 -58.6534 19.5905 -58.6535 13.1672 GPRESSAVG: 4508400 39.2807 3.30701 19.0359 4.91482 -57.127 -59.786 17.5807 -56.5822 13.3572 TIMING: 4508400 CPU: 14561.7, 0.0032139/step Wall: 14561.7, 0.0032139/step, 0.438876 hours remaining, 236.093750 MB of memory in use. ENERGY: 4508400 3979.9922 20487.0436 14442.8439 234.5460 -203270.3597 2639.9469 0.0000 0.0000 52112.6750 -109373.3121 299.4923 -161485.9872 -109002.7269 299.8286 -170.7795 -145.8789 762154.7601 -1.4779 -1.4964 PRESSURE: 4508600 246.547 -261.621 170.217 -261.621 -211.348 -105.656 170.216 -105.656 390.658 GPRESSURE: 4508600 295.481 -187.942 257.354 -186.268 -146.182 -108.259 99.7458 -214.353 352.591 PRESSAVG: 4508600 99.287 6.24076 32.4802 6.24076 -125.839 -36.8632 32.4802 -36.8631 -6.24607 GPRESSAVG: 4508600 100.931 6.62014 31.1168 4.52255 -126.279 -38.5025 34.1991 -37.7653 -7.38008 TIMING: 4508600 CPU: 14562.3, 0.00314136/step Wall: 14562.3, 0.00314136/step, 0.428796 hours remaining, 236.296875 MB of memory in use. ENERGY: 4508600 3914.4513 20505.8506 14457.1498 229.3884 -203147.4592 2463.6216 0.0000 0.0000 52137.7285 -109439.2690 299.6362 -161576.9975 -109071.7920 299.7335 141.9521 167.2968 760345.8935 -10.9326 -10.9091 PRESSURE: 4508800 -115.195 -193.547 -79.4419 -193.547 35.9288 -349.801 -79.4414 -349.801 97.4544 GPRESSURE: 4508800 -30.3103 -79.9976 -36.2293 -167.455 0.77417 -286.779 20.9837 -333.302 129.138 PRESSAVG: 4508800 30.1262 -18.3405 10.9203 -18.3405 -71.8378 -44.4775 10.9203 -44.4774 18.958 GPRESSAVG: 4508800 28.0322 -18.8692 13.1988 -17.5439 -70.594 -42.0684 11.4027 -41.5845 19.9383 TIMING: 4508800 CPU: 14562.9, 0.00311842/step Wall: 14562.9, 0.00311842/step, 0.425492 hours remaining, 236.554688 MB of memory in use. ENERGY: 4508800 4053.0124 20398.1203 14526.5865 228.5881 -203089.4781 2546.1925 0.0000 0.0000 51906.0870 -109430.8913 298.3050 -161336.9782 -109088.5840 299.1339 6.0626 33.2007 761067.1237 -7.5846 -7.5411 PRESSURE: 4509000 -203.636 -156.604 107.763 -156.604 -306.076 -18.1301 107.763 -18.1303 -237.79 GPRESSURE: 4509000 -190.609 -104.132 118.268 -264.11 -233.332 22.1382 15.5107 -20.1615 -246.99 PRESSAVG: 4509000 20.9228 23.3354 3.24405 23.3353 -20.8911 4.86936 3.24406 4.86938 -9.21643 GPRESSAVG: 4509000 21.1227 23.0617 3.54655 24.0777 -20.9036 4.21267 0.781227 2.54064 -9.60314 TIMING: 4509000 CPU: 14563.5, 0.00314233/step Wall: 14563.5, 0.00314233/step, 0.42858 hours remaining, 236.554688 MB of memory in use. ENERGY: 4509000 3888.8603 20426.1067 14493.6148 255.3463 -203066.8820 2219.0277 0.0000 0.0000 52301.5229 -109482.4032 300.5776 -161783.9262 -109104.2958 299.3154 -249.1675 -223.6436 761037.9026 -3.0616 -3.1280 PRESSURE: 4509200 179.428 3.89046 -81.6281 3.8918 -82.5187 27.929 -81.6276 27.9297 -158.688 GPRESSURE: 4509200 181.456 10.5504 -139.527 -50.2938 -39.4127 50.6868 -123.287 5.55995 -134.923 PRESSAVG: 4509200 28.4887 5.22585 -4.81825 5.22588 -8.57155 -99.9132 -4.81823 -99.9133 16.6278 GPRESSAVG: 4509200 28.9385 5.30364 -5.27244 5.13818 -8.74373 -98.5506 -4.31606 -102.25 16.5998 TIMING: 4509200 CPU: 14564.2, 0.00312763/step Wall: 14564.2, 0.00312763/step, 0.4264 hours remaining, 236.554688 MB of memory in use. ENERGY: 4509200 3879.2780 20454.4779 14462.6919 229.7101 -203025.3308 2340.8702 0.0000 0.0000 52004.9077 -109653.3951 298.8729 -161658.3028 -109294.2158 299.4264 -20.5931 2.3734 759735.6047 12.1816 12.2649 PRESSURE: 4509400 -132.241 -24.1071 -229.377 -24.1073 51.633 -235.093 -229.377 -235.093 103.897 GPRESSURE: 4509400 -68.2415 -27.0537 -299.615 36.1292 81.3331 -245.354 -70.8256 -161.031 96.5436 PRESSAVG: 4509400 70.018 18.3677 -27.3909 18.3677 -25.4828 -1.008 -27.3909 -1.0079 -10.2033 GPRESSAVG: 4509400 70.4751 17.5758 -26.0289 19.359 -24.6078 -1.8063 -27.3927 2.84549 -11.0352 TIMING: 4509400 CPU: 14564.8, 0.00314426/step Wall: 14564.8, 0.00314426/step, 0.428493 hours remaining, 236.640625 MB of memory in use. ENERGY: 4509400 4015.8122 20412.3030 14453.4145 236.6050 -203087.3524 2228.3698 0.0000 0.0000 51921.3919 -109819.4561 298.3930 -161740.8480 -109460.9540 299.3810 7.7631 36.5451 759611.0368 11.4440 11.6107 PRESSURE: 4509600 339.617 -113.923 -37.8709 -113.923 -119.441 -195.839 -37.8712 -195.84 308.987 GPRESSURE: 4509600 312.502 -107.816 -17.7072 -74.8097 5.76817 -157.495 -109.37 -94.3845 303.943 PRESSAVG: 4509600 59.5895 -27.1197 -8.00911 -27.1197 -103.389 -8.47468 -8.0091 -8.47469 1.15801 GPRESSAVG: 4509600 60.9373 -29.102 -9.1908 -26.2043 -104.199 -8.03841 -8.42764 -7.22894 1.25751 TIMING: 4509600 CPU: 14565.4, 0.00312202/step Wall: 14565.4, 0.00312202/step, 0.425288 hours remaining, 236.640625 MB of memory in use. ENERGY: 4509600 3945.3089 20571.5382 14489.2843 247.9708 -203944.8549 2712.2557 0.0000 0.0000 52142.9963 -109835.5007 299.6665 -161978.4970 -109467.4771 298.8075 176.3878 207.4045 757621.6266 -14.2139 -14.0014 PRESSURE: 4509800 188.324 146.669 -67.2911 146.669 26.4636 -81.9172 -67.2906 -81.9176 -199.802 GPRESSURE: 4509800 239.133 115.359 -7.43256 82.3351 68.2287 -144.22 -94.5665 -115.102 -210.859 PRESSAVG: 4509800 110.648 -33.9185 -5.50384 -33.9185 -108.473 -11.3992 -5.50391 -11.3992 -11.1264 GPRESSAVG: 4509800 110.444 -31.4209 -5.59444 -34.9782 -108.913 -12.1059 -4.93071 -14.0418 -10.897 TIMING: 4509800 CPU: 14566, 0.00313942/step Wall: 14566, 0.00313942/step, 0.427484 hours remaining, 236.640625 MB of memory in use. ENERGY: 4509800 3987.7402 20513.2542 14489.3566 225.7039 -203767.4816 2752.8941 0.0000 0.0000 51837.0725 -109961.4601 297.9084 -161798.5326 -109599.9025 298.4647 4.9951 32.1677 759872.0115 -2.9839 -3.1221 PRESSURE: 4510000 -109.189 81.591 -77.6455 81.5918 153.29 200.554 -77.6464 200.553 262.93 GPRESSURE: 4510000 37.2343 102.47 -147.281 42.0063 80.2706 257.642 -94.0469 144.354 280.243 PRESSAVG: 4510000 79.3009 -4.56155 -7.49562 -4.56154 -65.5203 -12.1716 -7.4956 -12.1715 24.49 GPRESSAVG: 4510000 79.1972 -3.66937 -8.68152 -6.45363 -66.2234 -10.8286 -6.59945 -13.4747 25.2787 TIMING: 4510000 CPU: 14566.7, 0.00313762/step Wall: 14566.7, 0.00313762/step, 0.427064 hours remaining, 236.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4510000 3909.6403 20293.1037 14536.8736 232.4315 -203568.6961 2503.9517 0.0000 0.0000 52189.9055 -109902.7898 299.9361 -162092.6953 -109538.3293 298.7609 102.3437 132.5826 757845.1784 12.7569 12.7508 PRESSURE: 4510200 474.907 83.1285 143.819 83.1279 12.7107 -12.5792 143.819 -12.5792 -384.186 GPRESSURE: 4510200 394.203 236.722 122.01 -79.4385 123.415 -87.442 283.175 -31.7558 -304.299 PRESSAVG: 4510200 88.6885 -8.43572 -56.7649 -8.43576 -30.2096 -1.47686 -56.7649 -1.47691 -3.64148 GPRESSAVG: 4510200 87.5471 -10.5547 -55.6736 -6.32696 -28.7803 -1.34253 -57.3521 -1.2108 -3.6701 TIMING: 4510200 CPU: 14567.3, 0.00313662/step Wall: 14567.3, 0.00313662/step, 0.426755 hours remaining, 236.625000 MB of memory in use. ENERGY: 4510200 3899.0423 20350.0684 14520.8662 241.7581 -203376.2641 2480.8587 0.0000 0.0000 51964.2822 -109919.3882 298.6394 -161883.6704 -109559.0578 299.0703 34.4770 71.1061 760727.9576 18.2791 18.3656 PRESSURE: 4510400 50.0207 -53.148 -127.665 -53.1474 -286.13 -56.8209 -127.665 -56.8202 413.768 GPRESSURE: 4510400 87.3442 -104.425 -269.287 -53.0284 -208.629 -71.2644 -25.205 -125.912 364.759 PRESSAVG: 4510400 46.8231 -45.3235 31.4337 -45.3235 -29.3162 -38.9884 31.4337 -38.9883 0.685971 GPRESSAVG: 4510400 47.6472 -43.7075 30.8286 -45.8179 -29.9672 -39.6154 32.3298 -39.5227 0.107962 TIMING: 4510400 CPU: 14567.9, 0.0031409/step Wall: 14567.9, 0.0031409/step, 0.427162 hours remaining, 236.625000 MB of memory in use. ENERGY: 4510400 3959.8196 20462.8326 14486.3019 233.1497 -203542.0555 2653.0885 0.0000 0.0000 51896.2561 -109850.6072 298.2485 -161746.8633 -109481.5313 298.3928 59.2197 81.1583 761303.8987 6.0643 5.9293 PRESSURE: 4510600 -144.86 -112.599 -50.4736 -112.598 -117.514 -326.076 -50.473 -326.076 -252.209 GPRESSURE: 4510600 -26.638 -35.4331 37.5733 -50.09 -120.926 -219.775 -129.788 -356.532 -289.459 PRESSAVG: 4510600 60.6818 -45.8942 42.8797 -45.8941 -55.728 27.5982 42.8797 27.5982 32.5564 GPRESSAVG: 4510600 60.4639 -46.6088 44.096 -45.0295 -54.6478 28.3009 38.563 29.7002 31.6799 TIMING: 4510600 CPU: 14568.6, 0.00312854/step Wall: 14568.6, 0.00312854/step, 0.425308 hours remaining, 236.625000 MB of memory in use. ENERGY: 4510600 3962.8953 20423.4167 14509.8345 262.1050 -203710.7477 2648.2453 0.0000 0.0000 51984.6230 -109919.6278 298.7563 -161904.2508 -109557.3815 298.3443 -171.5276 -145.6743 760563.3354 12.5034 12.4987 PRESSURE: 4510800 59.1617 16.1931 -0.884276 16.1938 69.8608 -152.907 -0.883607 -152.908 -150.876 GPRESSURE: 4510800 139.113 -65.93 -12.657 -62.4051 -27.0876 -121.298 5.10258 -276.27 -63.631 PRESSAVG: 4510800 21.3813 -31.8548 11.5417 -31.8548 -10.2865 21.8065 11.5417 21.8066 6.00118 GPRESSAVG: 4510800 21.6466 -31.5313 11.2433 -33.3024 -12.1388 20.3257 12.9082 21.2099 7.33385 TIMING: 4510800 CPU: 14569.2, 0.00313754/step Wall: 14569.2, 0.00313754/step, 0.426357 hours remaining, 236.625000 MB of memory in use. ENERGY: 4510800 3946.0207 20563.1375 14473.4705 230.3056 -203438.0657 2442.6490 0.0000 0.0000 52008.4642 -109774.0183 298.8934 -161782.4825 -109407.4430 298.7972 -7.2847 16.1315 759763.0986 5.6987 5.6139 PRESSURE: 4511000 215.34 -20.0063 -38.3227 -20.0066 -303.454 114.814 -38.3218 114.814 -129.524 GPRESSURE: 4511000 346.422 -22.547 -8.17393 -183.085 -350.502 51.0882 0.643058 138.108 -116.203 PRESSAVG: 4511000 71.2314 -27.6543 -67.8566 -27.6543 -39.5091 -57.9384 -67.8566 -57.9384 4.43565 GPRESSAVG: 4511000 70.9178 -28.0704 -66.2332 -27.8772 -39.6664 -58.0513 -66.6873 -56.564 5.09789 TIMING: 4511000 CPU: 14569.8, 0.00313214/step Wall: 14569.8, 0.00313214/step, 0.425448 hours remaining, 236.625000 MB of memory in use. ENERGY: 4511000 3988.5256 20522.8544 14478.6719 246.3891 -203657.4739 2404.1181 0.0000 0.0000 52261.1477 -109755.7671 300.3455 -162016.9148 -109388.7815 299.8170 -72.5459 -40.0941 759520.0883 12.0527 12.1164 PRESSURE: 4511200 -34.9833 65.9494 142.199 65.9488 -107.291 264.655 142.198 264.655 37.2534 GPRESSURE: 4511200 44.8909 70.7324 38.1598 14.3294 -166.705 232.56 21.9472 198.413 81.3912 PRESSAVG: 4511200 72.0003 -20.7572 2.47495 -20.7572 -89.6721 3.32108 2.47493 3.321 -6.02817 GPRESSAVG: 4511200 72.3746 -20.7707 1.94503 -20.4978 -87.869 4.77409 3.37909 0.941797 -8.18419 TIMING: 4511200 CPU: 14570.4, 0.00313355/step Wall: 14570.4, 0.00313355/step, 0.425467 hours remaining, 236.625000 MB of memory in use. ENERGY: 4511200 4001.4436 20398.6137 14508.3628 243.5841 -203272.5246 2174.9602 0.0000 0.0000 52246.8266 -109698.7336 300.2632 -161945.5601 -109329.7212 299.0378 -35.0068 -13.4743 759949.8942 -7.9000 -7.8929 PRESSURE: 4511400 310.91 -135.7 -25.3064 -135.702 -203.331 199.016 -25.3069 199.017 127.812 GPRESSURE: 4511400 213.796 -156.533 -15.853 -144.828 -149.988 204.729 171.227 133.692 231.972 PRESSAVG: 4511400 61.3778 14.3796 -17.3345 14.3796 -76.1806 -28.8714 -17.3345 -28.8714 -1.33327 GPRESSAVG: 4511400 59.8979 13.0431 -19.6047 16.4723 -77.7261 -30.8386 -18.0108 -27.9656 1.22978 TIMING: 4511400 CPU: 14571.1, 0.00313565/step Wall: 14571.1, 0.00313565/step, 0.425578 hours remaining, 236.625000 MB of memory in use. ENERGY: 4511400 4010.7318 20538.0820 14553.1550 267.8264 -203536.1421 2489.9326 0.0000 0.0000 51964.4629 -109711.9514 298.6405 -161676.4143 -109365.0434 299.1480 78.4637 98.5933 760616.3667 -5.3787 -5.5328 PRESSURE: 4511600 -66.7598 -17.1325 224.635 -17.1322 -62.7811 41.9625 224.635 41.9629 -104.1 GPRESSURE: 4511600 10.2587 47.6748 114.055 -0.662087 -54.1336 87.9894 93.3151 19.7944 -105.744 PRESSAVG: 4511600 63.8485 52.0433 -36.5365 52.0433 -56.7359 18.6526 -36.5365 18.6527 6.18788 GPRESSAVG: 4511600 63.4282 53.6494 -35.1216 50.7212 -56.6206 20.4125 -36.5247 17.5323 6.62272 TIMING: 4511600 CPU: 14571.7, 0.00312189/step Wall: 14571.7, 0.00312189/step, 0.423537 hours remaining, 236.625000 MB of memory in use. ENERGY: 4511600 3978.7157 20523.2910 14500.3290 240.4885 -203631.4126 2469.6955 0.0000 0.0000 52304.3670 -109614.5259 300.5939 -161918.8929 -109240.3915 299.4658 -77.8802 -49.8729 760723.9693 4.4335 4.4768 PRESSURE: 4511800 -240.785 -192.119 -188.404 -192.119 -164.843 -26.7482 -188.406 -26.7492 -251.978 GPRESSURE: 4511800 -116.416 -232.919 -282.803 -125.198 -189.452 -8.25804 -154.858 -1.41003 -277.204 PRESSAVG: 4511800 108.177 -4.07065 -24.966 -4.07057 -105.485 -37.0397 -24.966 -37.0397 14.0926 GPRESSAVG: 4511800 109.076 -4.58313 -26.6693 -2.26316 -104.519 -38.3135 -21.6849 -34.7708 12.5498 TIMING: 4511800 CPU: 14572.3, 0.00312818/step Wall: 14572.3, 0.00312818/step, 0.424216 hours remaining, 236.679688 MB of memory in use. ENERGY: 4511800 4115.0324 20789.9164 14448.8570 242.6266 -203954.1931 2597.8044 0.0000 0.0000 52165.0760 -109594.8804 299.7934 -161759.9564 -109239.3009 299.2247 -219.2019 -194.3576 758459.0764 5.5949 5.7024 PRESSURE: 4512000 -93.81 -290.358 -70.4554 -290.359 -153.047 53.9274 -70.4552 53.927 -50.7611 GPRESSURE: 4512000 -60.963 -110.806 19.3206 -203.55 -114.977 -21.7245 -31.2444 69.5217 -37.1562 PRESSAVG: 4512000 45.0675 -1.88376 53.7072 -1.8838 -52.1826 -52.4885 53.7073 -52.4886 18.5778 GPRESSAVG: 4512000 44.5487 -0.671665 56.044 -5.05584 -52.2263 -51.4027 49.9589 -53.7454 18.5923 TIMING: 4512000 CPU: 14572.9, 0.00311646/step Wall: 14572.9, 0.00311646/step, 0.422453 hours remaining, 236.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4512000 4009.7320 20596.2960 14471.3269 232.9252 -203695.7223 2454.0095 0.0000 0.0000 52179.3916 -109752.0410 299.8757 -161931.4326 -109391.3990 299.4745 -99.2060 -71.0320 759304.4139 3.8209 3.6383 PRESSURE: 4512200 269.403 81.8196 142.637 81.82 -34.348 -8.92964 142.638 -8.93068 201.028 GPRESSURE: 4512200 363.026 135.947 62.956 114.699 -18.7487 -21.1764 26.9923 -89.1458 185.076 PRESSAVG: 4512200 96.4802 -11.6651 40.5007 -11.6651 -67.9821 -1.22553 40.5008 -1.22559 13.0212 GPRESSAVG: 4512200 97.4814 -12.3813 40.4133 -10.9484 -68.7499 -3.01183 39.2965 0.688847 12.7877 TIMING: 4512200 CPU: 14573.6, 0.00313367/step Wall: 14573.6, 0.00313367/step, 0.424612 hours remaining, 236.679688 MB of memory in use. ENERGY: 4512200 3955.6713 20425.7577 14504.7175 252.9887 -204090.8292 2693.8742 0.0000 0.0000 52411.5408 -109846.2790 301.2098 -162257.8199 -109481.3931 299.4195 145.3610 176.4510 756995.8728 13.8398 13.8398 LDB: ============= START OF LOAD BALANCING ============== 14586 LDB: ============== END OF LOAD BALANCING =============== 14586 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14586 LDB: ============= START OF LOAD BALANCING ============== 14586.3 LDB: Largest compute 7064 load 0.032151 is 16.4% of average load 0.195534 LDB: Average compute 0.004396 is 2.2% of average load 0.195534 LDB: TIME 14586.3 LOAD: AVG 0.195534 MAX 0.214645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.34 MB LDB: TIME 14586.3 LOAD: AVG 0.195534 MAX 0.214645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.344 MB LDB: TIME 14586.3 LOAD: AVG 0.195534 MAX 0.214645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.344 MB LDB: ============== END OF LOAD BALANCING =============== 14586.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14586.3 PRESSURE: 4512400 208.369 -30.4566 -83.7288 -30.4567 129.875 -282.877 -83.7287 -282.877 274.809 GPRESSURE: 4512400 185.082 -56.0231 -123.854 70.9699 197.323 -287.198 -28.166 -258.941 307.471 PRESSAVG: 4512400 17.2357 6.41183 0.981929 6.41179 -14.0579 -48.0556 0.981872 -48.0557 13.6665 GPRESSAVG: 4512400 18.8917 6.61246 1.38129 5.66575 -14.9719 -47.5162 1.89246 -49.7487 12.9427 TIMING: 4512400 CPU: 14574.2, 0.00321522/step Wall: 14574.2, 0.00321522/step, 0.435484 hours remaining, 234.882812 MB of memory in use. ENERGY: 4512400 3994.5005 20408.0019 14554.8063 249.1711 -203660.5031 2720.1328 0.0000 0.0000 51809.6823 -109924.2081 297.7510 -161733.8905 -109570.5524 299.0515 204.3512 229.9586 758419.5090 5.6148 5.6209 PRESSURE: 4512600 -476.488 -72.3812 74.5403 -72.3809 -39.8747 42.1443 74.5399 42.143 -315.009 GPRESSURE: 4512600 -364.236 -44.4525 56.663 -101.577 -79.1161 -119.938 6.08848 162.385 -304.742 PRESSAVG: 4512600 6.38062 -53.6945 22.2559 -53.6945 -13.5711 -5.45465 22.2559 -5.45457 6.42759 GPRESSAVG: 4512600 4.21691 -54.4768 20.1388 -53.0181 -12.0877 -4.50738 24.3061 -5.97619 6.75997 TIMING: 4512600 CPU: 14574.8, 0.00314063/step Wall: 14574.8, 0.00314063/step, 0.425206 hours remaining, 234.953125 MB of memory in use. ENERGY: 4512600 4009.5453 20456.1936 14505.7724 254.0844 -203364.2573 2418.4986 0.0000 0.0000 51921.5087 -109798.6544 298.3936 -161720.1631 -109438.3149 298.1091 -277.1239 -249.3649 760035.7261 -0.2543 -0.3703 PRESSURE: 4512800 146.286 118.127 71.2104 118.127 118.507 -33.1957 71.2111 -33.1967 546.128 GPRESSURE: 4512800 142.907 49.1307 104.234 134.509 167.648 -1.16156 -6.8976 -17.0347 597.539 PRESSAVG: 4512800 48.6607 -83.9727 -10.8999 -83.9728 -29.6474 -17.9096 -10.8999 -17.9095 5.96941 GPRESSAVG: 4512800 48.5773 -83.0712 -13.182 -84.9949 -30.1046 -18.2129 -13.4007 -16.2969 6.0309 TIMING: 4512800 CPU: 14575.5, 0.00313559/step Wall: 14575.5, 0.00313559/step, 0.42435 hours remaining, 234.953125 MB of memory in use. ENERGY: 4512800 3939.6956 20474.0450 14498.9592 250.9281 -203460.9518 2687.7182 0.0000 0.0000 51733.1806 -109876.4251 297.3113 -161609.6057 -109519.7949 298.4662 270.3073 302.6980 757338.5432 8.3276 8.1679 PRESSURE: 4513000 212.922 125.295 -89.43 125.296 -23.6997 301.828 -89.4303 301.828 -87.0844 GPRESSURE: 4513000 221.284 60.9845 -121.732 102.73 32.278 339.609 103.592 222.168 -58.2811 PRESSAVG: 4513000 75.0435 -7.57236 17.9112 -7.57239 -38.1629 -28.4398 17.9113 -28.4399 16.4941 GPRESSAVG: 4513000 73.8002 -8.85024 22.7503 -7.41841 -36.9584 -27.8854 18.9242 -29.9522 16.3261 TIMING: 4513000 CPU: 14576.1, 0.00315033/step Wall: 14576.1, 0.00315033/step, 0.426169 hours remaining, 234.953125 MB of memory in use. ENERGY: 4513000 3960.5736 20467.3099 14501.2852 251.0118 -203595.1557 2472.9597 0.0000 0.0000 52161.0698 -109780.9457 299.7704 -161942.0155 -109418.4399 298.5751 34.0458 65.0937 758407.3761 17.7916 17.7227 PRESSURE: 4513200 260.05 23.9093 99.0289 23.9085 249.358 -274.922 99.0282 -274.923 -152.349 GPRESSURE: 4513200 360.903 38.5403 84.0051 81.5354 263.331 -209.971 26.8919 -233.736 -180.87 PRESSAVG: 4513200 74.6207 -4.35289 -8.78105 -4.35286 -110.856 -30.4052 -8.7811 -30.4052 -1.68531 GPRESSAVG: 4513200 76.1259 -3.01172 -11.369 -6.03844 -111.866 -30.7591 -7.81059 -29.7434 -2.37409 TIMING: 4513200 CPU: 14576.7, 0.00315339/step Wall: 14576.7, 0.00315339/step, 0.426409 hours remaining, 234.953125 MB of memory in use. ENERGY: 4513200 4028.8332 20304.6730 14486.4968 250.1104 -203580.8528 2756.3131 0.0000 0.0000 52056.0378 -109698.3885 299.1668 -161754.4263 -109327.2476 298.9744 119.0193 147.7880 759040.3265 -12.6402 -12.7046 PRESSURE: 4513400 318.964 -125.443 -200.378 -125.442 -6.90437 -220.201 -200.378 -220.201 145.745 GPRESSURE: 4513400 334.149 42.854 -186.359 -107.725 3.76393 -233.93 -142.976 -185.096 209.695 PRESSAVG: 4513400 57.6049 -45.6995 -46.4042 -45.6995 -46.0987 7.64304 -46.4041 7.643 -5.57854 GPRESSAVG: 4513400 58.8022 -45.6049 -46.3346 -42.7591 -46.6785 8.5924 -47.3484 4.8014 -5.99138 TIMING: 4513400 CPU: 14577.3, 0.00311374/step Wall: 14577.3, 0.00311374/step, 0.420874 hours remaining, 234.953125 MB of memory in use. ENERGY: 4513400 3939.2478 20422.6312 14586.4662 237.3110 -203526.7349 2613.0599 0.0000 0.0000 52273.1293 -109454.8896 300.4144 -161728.0189 -109099.8395 299.3313 152.6018 182.5358 759600.9903 1.9759 2.0441 PRESSURE: 4513600 -144.317 10.862 229.106 10.8619 -20.0309 -27.6457 229.105 -27.6438 -55.683 GPRESSURE: 4513600 -27.7876 -23.408 240.762 107.965 12.6084 -16.2445 156.964 20.7222 -94.9471 PRESSAVG: 4513600 48.1523 1.32058 -35.2477 1.32059 -43.1409 -13.5247 -35.2477 -13.5247 -2.22558 GPRESSAVG: 4513600 48.6217 1.60062 -34.5151 0.514328 -44.7147 -12.4889 -35.091 -13.1834 -1.53193 TIMING: 4513600 CPU: 14578, 0.00311896/step Wall: 14578, 0.00311896/step, 0.421406 hours remaining, 234.953125 MB of memory in use. ENERGY: 4513600 3994.2686 20471.5217 14483.8684 253.1657 -203038.1014 2384.2934 0.0000 0.0000 51836.8429 -109614.1407 297.9070 -161450.9835 -109260.8694 299.0985 -73.3435 -36.7088 759859.1494 0.9286 0.7917 PRESSURE: 4513800 -105.23 15.2804 56.9713 15.2792 153.941 115.116 56.9712 115.116 -79.5634 GPRESSURE: 4513800 -30.8607 114.44 87.3789 -51.956 129.894 64.8303 41.2128 -7.5614 -68.4025 PRESSAVG: 4513800 -20.4438 -3.33492 28.8214 -3.33492 -8.09254 21.2818 28.8213 21.2819 -5.88016 GPRESSAVG: 4513800 -20.3911 -4.67726 30.526 -3.24101 -7.63554 19.0749 25.782 23.127 -5.7784 TIMING: 4513800 CPU: 14578.6, 0.00313368/step Wall: 14578.6, 0.00313368/step, 0.42322 hours remaining, 234.953125 MB of memory in use. ENERGY: 4513800 3899.0389 20491.5680 14517.6423 249.9086 -203236.1866 2508.1254 0.0000 0.0000 51920.7166 -109649.1867 298.3891 -161569.9034 -109293.4115 298.5599 -10.2841 10.2101 761121.5454 -11.4722 -11.2683 PRESSURE: 4514000 112.504 67.8686 11.5419 67.8681 117.024 -169.133 11.5426 -169.132 481.533 GPRESSURE: 4514000 16.5649 59.7257 17.3287 117.407 196.239 -166.066 -42.9356 -189.849 556.283 PRESSAVG: 4514000 56.933 -18.585 -5.57166 -18.585 2.43043 52.5803 -5.57163 52.5804 0.622541 GPRESSAVG: 4514000 54.0137 -18.2973 -8.1119 -18.2131 3.95121 51.7547 -2.08435 53.6221 2.09859 TIMING: 4514000 CPU: 14579.2, 0.00314306/step Wall: 14579.2, 0.00314306/step, 0.424312 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4514000 3868.8938 20573.4053 14519.4000 252.2680 -203519.2109 2645.4904 0.0000 0.0000 51779.6624 -109880.0911 297.5784 -161659.7534 -109515.8444 299.0746 237.0205 256.3624 759165.9368 19.9953 20.0212 PRESSURE: 4514200 140.108 -35.0162 -24.9435 -35.017 -143.805 -144.011 -24.9439 -144.011 156.186 GPRESSURE: 4514200 148.793 -42.1774 -78.7353 7.87261 -83.0236 -221.648 -13.9549 -176.061 173.331 PRESSAVG: 4514200 102.872 -36.1093 2.50042 -36.1094 -56.6734 -54.4408 2.50049 -54.4408 -17.1208 GPRESSAVG: 4514200 102.78 -36.4899 3.46263 -36.0137 -56.3878 -52.0639 0.775161 -56.8867 -17.8638 TIMING: 4514200 CPU: 14579.9, 0.00314334/step Wall: 14579.9, 0.00314334/step, 0.424176 hours remaining, 234.953125 MB of memory in use. ENERGY: 4514200 3986.4137 20432.8400 14506.2238 245.0656 -203295.7818 2416.1379 0.0000 0.0000 51817.5046 -109891.5961 297.7959 -161709.1007 -109518.2910 298.2458 50.8296 79.7004 760243.8845 9.6927 9.5095 PRESSURE: 4514400 279.39 -11.9161 -294.252 -11.9167 -91.0814 87.4331 -294.252 87.4331 83.7907 GPRESSURE: 4514400 309.454 54.7477 -266.881 -40.4686 -31.058 63.3863 -146.394 88.8765 79.6184 PRESSAVG: 4514400 40.3456 25.8245 -57.3405 25.8245 -39.5541 45.4729 -57.3405 45.473 -12.7264 GPRESSAVG: 4514400 41.7382 25.6748 -56.707 25.6977 -40.4198 45.9095 -55.008 47.8507 -13.053 TIMING: 4514400 CPU: 14580.5, 0.00314059/step Wall: 14580.5, 0.00314059/step, 0.423631 hours remaining, 234.953125 MB of memory in use. ENERGY: 4514400 3982.9161 20362.7461 14485.9057 261.6232 -203619.4681 2654.7045 0.0000 0.0000 51871.7219 -109999.8506 298.1075 -161871.5725 -109650.8997 297.9586 90.6999 119.3381 761645.0140 -3.9783 -3.9115 PRESSURE: 4514600 180.265 -27.0667 -188.355 -27.0665 -114.433 -87.3752 -188.355 -87.3755 -200.58 GPRESSURE: 4514600 185.982 12.7083 -138.27 -9.34355 -12.1642 -33.9889 -185.579 -129.409 -207.085 PRESSAVG: 4514600 47.8012 16.5001 -7.66978 16.5002 9.20068 34.549 -7.66986 34.549 -22.2581 GPRESSAVG: 4514600 46.4865 18.3784 -6.69091 14.855 10.404 32.5928 -9.46405 34.6277 -22.368 TIMING: 4514600 CPU: 14581.1, 0.00312869/step Wall: 14581.1, 0.00312869/step, 0.421852 hours remaining, 234.953125 MB of memory in use. ENERGY: 4514600 3997.8261 20277.6860 14543.3552 250.1184 -203873.2626 2581.1422 0.0000 0.0000 52303.1485 -109919.9862 300.5869 -162223.1347 -109558.7882 298.4612 -44.9160 -11.0891 759540.1220 11.5812 11.5075 PRESSURE: 4514800 -37.7832 219.332 46.1371 219.332 -148.205 123.579 46.1371 123.578 309.148 GPRESSURE: 4514800 -81.9985 152.695 54.6561 228.951 -101.845 89.8154 2.12598 50.0849 397.885 PRESSAVG: 4514800 116.85 57.5874 -23.7842 57.5874 -90.1941 -14.3761 -23.7843 -14.3761 -4.89202 GPRESSAVG: 4514800 117.385 57.5498 -24.592 58.5232 -91.0083 -11.9697 -23.985 -15.5616 -4.48304 TIMING: 4514800 CPU: 14581.7, 0.00313133/step Wall: 14581.7, 0.00313133/step, 0.422034 hours remaining, 234.953125 MB of memory in use. ENERGY: 4514800 3936.4708 20584.8503 14496.6067 249.1552 -203457.7802 2440.3273 0.0000 0.0000 52016.3450 -109734.0249 298.9386 -161750.3699 -109370.1156 299.0307 41.0532 71.3471 761024.6213 7.2547 7.2978 PRESSURE: 4515000 -18.1001 87.1162 323.87 87.1157 108.161 2.13657 323.871 2.13571 50.9296 GPRESSURE: 4515000 44.1384 28.3109 366.348 -27.5575 198.949 -105.368 304.643 -54.2717 -16.8285 PRESSAVG: 4515000 -0.265539 19.8738 -24.142 19.8738 -36.8217 14.1118 -24.142 14.1117 9.42648 GPRESSAVG: 4515000 -0.489166 17.1991 -23.6761 20.3973 -36.8895 13.018 -24.1637 14.8756 9.72078 TIMING: 4515000 CPU: 14582.4, 0.00313008/step Wall: 14582.4, 0.00313008/step, 0.421691 hours remaining, 234.964844 MB of memory in use. ENERGY: 4515000 4001.1089 20458.1167 14489.5236 242.1428 -203344.4677 2437.1511 0.0000 0.0000 52306.7427 -109409.6819 300.6076 -161716.4246 -109048.0694 299.2075 46.9970 75.4196 760183.9098 -9.2202 -9.2193 PRESSURE: 4515200 -83.4411 -70.8771 -51.6394 -70.8765 -53.4963 8.19467 -51.6403 8.19581 -138.576 GPRESSURE: 4515200 18.6487 -13.2165 12.6311 -77.2964 -22.5389 -2.58816 -115.225 -19.9391 -186.38 PRESSAVG: 4515200 27.5168 -6.10549 -14.6388 -6.10547 -16.6819 4.65664 -14.6388 4.65664 -24.8688 GPRESSAVG: 4515200 29.1907 -3.43641 -15.4075 -5.53648 -16.8985 2.1697 -13.2905 3.75921 -25.7852 TIMING: 4515200 CPU: 14583, 0.00312468/step Wall: 14583, 0.00312468/step, 0.42079 hours remaining, 234.964844 MB of memory in use. ENERGY: 4515200 4009.9928 20376.5853 14529.6838 255.5811 -203370.8042 2360.6483 0.0000 0.0000 52516.0280 -109322.2850 301.8103 -161838.3130 -108951.7289 299.7614 -91.8379 -63.4233 760115.2367 -4.6780 -4.4976 PRESSURE: 4515400 13.1031 -24.7561 23.0014 -24.7562 138.72 36.8062 23.0026 36.8059 168.909 GPRESSURE: 4515400 7.98382 -33.9633 33.8539 -23.3401 202.757 11.6914 -4.95747 -103.925 196.586 PRESSAVG: 4515400 -13.4155 -21.182 -21.6086 -21.1819 28.5324 25.8399 -21.6086 25.8399 -17.2203 GPRESSAVG: 4515400 -15.6686 -21.1005 -23.1753 -22.8686 29.7768 27.0829 -21.0209 26.5255 -16.0649 TIMING: 4515400 CPU: 14583.6, 0.00313912/step Wall: 14583.6, 0.00313912/step, 0.42256 hours remaining, 234.964844 MB of memory in use. ENERGY: 4515400 3972.2457 20522.2895 14493.0759 235.1664 -203170.2011 2357.4144 0.0000 0.0000 52058.0540 -109531.9552 299.1784 -161590.0092 -109164.8037 299.3515 106.9107 135.7754 760376.4615 -0.7011 -0.6522 PRESSURE: 4515600 -345.244 35.2597 -156.84 35.2597 383.563 195.547 -156.84 195.547 75.5701 GPRESSURE: 4515600 -193.994 53.4796 -107.417 -81.3601 337.767 114.07 -90.6319 270.394 54.8184 PRESSAVG: 4515600 -10.4704 -39.463 -3.67458 -39.463 33.2767 -10.8376 -3.67457 -10.8376 8.99159 GPRESSAVG: 4515600 -8.64881 -41.6995 -0.853585 -35.9157 31.8592 -10.0016 -3.88097 -11.0709 8.4655 TIMING: 4515600 CPU: 14584.2, 0.00313646/step Wall: 14584.2, 0.00313646/step, 0.422029 hours remaining, 234.964844 MB of memory in use. ENERGY: 4515600 4017.3793 20559.4629 14580.5519 241.3931 -203532.5510 2683.3743 0.0000 0.0000 51949.6783 -109500.7112 298.5555 -161450.3895 -109142.7587 299.5769 37.9631 66.1970 760935.9998 10.5993 10.5586 PRESSURE: 4515800 -191.731 -152.758 285.252 -152.758 -42.9544 -52.5345 285.252 -52.5355 -144.343 GPRESSURE: 4515800 -63.4993 -107.1 302.388 -172.579 -7.17795 -91.2021 202.69 -172.584 -224.715 PRESSAVG: 4515800 37.8191 -79.1382 -21.363 -79.1382 -6.50981 -1.2163 -21.363 -1.21625 9.50385 GPRESSAVG: 4515800 38.317 -78.5253 -23.9134 -80.1182 -6.25467 -1.32624 -22.015 -3.17017 9.14969 TIMING: 4515800 CPU: 14584.9, 0.00314495/step Wall: 14584.9, 0.00314495/step, 0.422996 hours remaining, 234.964844 MB of memory in use. ENERGY: 4515800 4016.7089 20662.4555 14510.6771 232.3345 -203431.2266 2393.2569 0.0000 0.0000 52164.0774 -109451.7163 299.7877 -161615.7937 -109097.0234 299.5843 -126.3428 -98.4641 760524.3201 13.6044 13.7373 PRESSURE: 4516000 -341.157 -272.911 -145.735 -272.911 -320.817 -139.218 -145.736 -139.219 -42.4823 GPRESSURE: 4516000 -302.089 -117.335 -173.63 -237.127 -270.859 -181.386 -141.1 -136.784 -32.9951 PRESSAVG: 4516000 20.3422 -43.6989 -6.6432 -43.6989 -4.26707 47.8186 -6.6432 47.8186 -12.9617 GPRESSAVG: 4516000 18.9648 -43.0499 -3.27862 -42.051 -2.9775 47.5866 -6.00639 48.9075 -12.2518 TIMING: 4516000 CPU: 14585.5, 0.00314426/step Wall: 14585.5, 0.00314426/step, 0.422728 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4516000 4082.6554 20503.3984 14600.5314 247.2622 -203271.0402 2090.5484 0.0000 0.0000 51986.1256 -109760.5187 298.7650 -161746.6444 -109399.0442 299.2100 -234.8189 -201.9812 758762.4531 1.0378 1.2451 PRESSURE: 4516200 7.24673 -142.751 -33.0989 -142.752 -113.892 133.678 -33.0992 133.678 -159.89 GPRESSURE: 4516200 -19.1417 -70.1748 -98.0066 -147.712 -15.562 80.6958 -174.08 167.133 -151.701 PRESSAVG: 4516200 26.2825 -26.2394 -17.3905 -26.2394 -11.2915 -24.7718 -17.3905 -24.7717 -3.27432 GPRESSAVG: 4516200 26.3793 -26.0814 -19.3648 -27.7759 -10.9734 -25.255 -17.3255 -23.112 -4.16558 TIMING: 4516200 CPU: 14586.1, 0.00313947/step Wall: 14586.1, 0.00313947/step, 0.421911 hours remaining, 234.964844 MB of memory in use. ENERGY: 4516200 3930.2664 20510.3821 14534.0672 238.5577 -203717.1539 2565.4946 0.0000 0.0000 52211.3391 -109727.0467 300.0593 -161938.3858 -109364.0800 299.1526 -88.8449 -62.1350 759892.9532 3.9056 3.7468 LDB: ============= START OF LOAD BALANCING ============== 14598.5 LDB: ============== END OF LOAD BALANCING =============== 14598.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14598.5 LDB: ============= START OF LOAD BALANCING ============== 14598.9 LDB: Largest compute 7025 load 0.032287 is 16.5% of average load 0.195576 LDB: Average compute 0.004406 is 2.3% of average load 0.195576 LDB: TIME 14598.9 LOAD: AVG 0.195576 MAX 0.213051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.719 MB LDB: TIME 14598.9 LOAD: AVG 0.195576 MAX 0.213051 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.719 MB LDB: TIME 14598.9 LOAD: AVG 0.195576 MAX 0.213051 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.719 MB LDB: ============== END OF LOAD BALANCING =============== 14598.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14598.9 PRESSURE: 4516400 -90.6969 -157.166 248.591 -157.165 -249.793 50.6734 248.593 50.6737 -75.0367 GPRESSURE: 4516400 -47.5726 -138.45 251.19 -114.754 -105.794 103.598 159.268 168.095 -167.633 PRESSAVG: 4516400 16.3261 -84.096 21.4427 -84.096 -11.1855 63.1694 21.4427 63.1694 -8.33844 GPRESSAVG: 4516400 17.4453 -82.9266 20.0953 -84.2216 -12.3748 63.3303 22.0202 63.7822 -8.39519 TIMING: 4516400 CPU: 14586.8, 0.00318546/step Wall: 14586.8, 0.00318546/step, 0.427914 hours remaining, 233.910156 MB of memory in use. ENERGY: 4516400 4042.9949 20533.4844 14540.2498 236.6375 -203424.8097 2461.0628 0.0000 0.0000 51720.9610 -109889.4193 297.2411 -161610.3803 -109532.4653 298.6819 -138.5088 -107.0000 761111.3071 -1.0659 -1.1082 PRESSURE: 4516600 -98.8533 -8.27273 14.1309 -8.27249 -420.554 12.0114 14.1307 12.0113 -440.912 GPRESSURE: 4516600 -148.951 61.6499 19.1995 -63.8956 -343.872 74.7705 20.7208 -63.5298 -384.123 PRESSAVG: 4516600 31.5262 -22.2456 -29.9312 -22.2456 -59.2064 38.8583 -29.9312 38.8583 -18.8424 GPRESSAVG: 4516600 30.9076 -22.8298 -29.7789 -22.5544 -58.077 39.7363 -29.3728 37.2491 -19.4583 TIMING: 4516600 CPU: 14587.4, 0.00312864/step Wall: 14587.4, 0.00312864/step, 0.420107 hours remaining, 233.910156 MB of memory in use. ENERGY: 4516600 3970.9249 20592.9013 14533.3740 244.7660 -203669.6535 2370.7358 0.0000 0.0000 52181.4188 -109775.5328 299.8873 -161956.9516 -109406.9418 298.6041 -320.1066 -292.3152 762233.5307 -15.5075 -15.5426 PRESSURE: 4516800 57.8779 116.967 -92.9951 116.968 56.0691 -87.2963 -92.9956 -87.2975 81.995 GPRESSURE: 4516800 153.717 133.086 -66.2978 146.842 132.91 -145.733 -115.997 -52.7619 -8.73301 PRESSAVG: 4516800 3.78961 -56.4341 10.452 -56.4341 -28.4707 56.1553 10.452 56.1552 -4.75819 GPRESSAVG: 4516800 4.40759 -57.5448 10.0762 -55.8495 -29.2664 55.1116 9.92962 56.4822 -4.29105 TIMING: 4516800 CPU: 14588, 0.00321111/step Wall: 14588, 0.00321111/step, 0.431003 hours remaining, 233.910156 MB of memory in use. ENERGY: 4516800 4046.2589 20447.0460 14558.0037 234.2899 -203752.6797 2629.0066 0.0000 0.0000 52117.1494 -109720.9251 299.5180 -161838.0745 -109360.3118 298.8466 65.3140 92.6313 760166.2904 -9.8131 -9.7166 PRESSURE: 4517000 -94.4485 -24.7399 -6.05984 -24.7393 -227.879 233.645 -6.0597 233.646 -139.033 GPRESSURE: 4517000 -97.7728 -91.3216 84.371 -87.2374 -228.405 188.011 -23.8469 184.799 -64.1567 PRESSAVG: 4517000 -15.5839 -3.17106 -22.7865 -3.17107 1.07656 34.3344 -22.7865 34.3345 -16.2421 GPRESSAVG: 4517000 -16.0505 -1.84079 -21.2525 -4.36858 1.62488 36.8819 -22.8781 32.9941 -16.4041 TIMING: 4517000 CPU: 14588.7, 0.00311932/step Wall: 14588.7, 0.00311932/step, 0.418508 hours remaining, 233.910156 MB of memory in use. ENERGY: 4517000 3949.6492 20599.2139 14584.0099 238.6051 -203803.8900 2642.7894 0.0000 0.0000 51982.9573 -109806.6652 298.7468 -161789.6225 -109436.2905 298.6480 -153.7868 -130.1115 760954.1851 -10.2498 -10.2766 PRESSURE: 4517200 75.3753 -135.637 -89.382 -135.637 196.305 -139.535 -89.3819 -139.536 39.3818 GPRESSURE: 4517200 103.359 -206.498 -97.3401 -98.5942 183.9 -182.414 -85.3119 -12.893 122.92 PRESSAVG: 4517200 3.96254 21.0402 20.4735 21.0402 -15.4761 40.0432 20.4735 40.0432 -20.4974 GPRESSAVG: 4517200 4.82472 20.3965 20.0116 21.2884 -16.5048 39.4965 18.8617 41.5585 -20.3859 TIMING: 4517200 CPU: 14589.3, 0.00312519/step Wall: 14589.3, 0.00312519/step, 0.419122 hours remaining, 233.910156 MB of memory in use. ENERGY: 4517200 3946.6101 20580.8165 14538.4923 237.1925 -203620.2985 2466.0682 0.0000 0.0000 52140.6180 -109710.5009 299.6528 -161851.1189 -109350.1534 298.6290 103.6873 136.7263 759322.1098 -10.6703 -10.6887 PRESSURE: 4517400 -152.838 358.862 59.8406 358.863 76.73 -188.732 59.8406 -188.733 -4.21132 GPRESSURE: 4517400 -46.6203 263.832 73.8389 436.342 15.3696 -173.521 15.2707 -67.9963 40.3917 PRESSAVG: 4517400 -46.7551 7.78878 50.8115 7.78877 -2.26542 -0.803047 50.8116 -0.80303 13.865 GPRESSAVG: 4517400 -46.814 8.66949 49.2644 8.15076 -2.82312 -0.82131 54.9623 -1.79002 14.5328 TIMING: 4517400 CPU: 14589.9, 0.0031284/step Wall: 14589.9, 0.0031284/step, 0.419379 hours remaining, 233.910156 MB of memory in use. ENERGY: 4517400 4085.1850 20536.8597 14471.7253 241.4938 -203372.6432 2303.4756 0.0000 0.0000 51800.8027 -109933.1011 297.6999 -161733.9038 -109576.8417 298.9516 -26.7732 3.0470 760083.3723 -11.7185 -11.7015 PRESSURE: 4517600 124.903 -116.748 -76.4852 -116.748 -258.578 172.722 -76.4855 172.722 332.166 GPRESSURE: 4517600 170.137 -96.7873 -80.7353 -117.211 -156.035 163.41 2.90877 108.753 290.809 PRESSAVG: 4517600 18.3883 -58.257 -35.6842 -58.257 14.8299 4.51605 -35.6843 4.51594 -8.9862 GPRESSAVG: 4517600 19.0018 -60.0151 -34.8337 -58.392 15.6768 3.50723 -36.7131 5.77089 -9.86154 TIMING: 4517600 CPU: 14590.5, 0.00318622/step Wall: 14590.5, 0.00318622/step, 0.426953 hours remaining, 233.910156 MB of memory in use. ENERGY: 4517600 3946.7034 20535.8473 14520.4113 230.4888 -203885.3716 2753.1139 0.0000 0.0000 51920.5915 -109978.2153 298.3884 -161898.8068 -109612.8115 297.9445 66.1635 101.6369 759101.8234 8.0773 8.2724 PRESSURE: 4517800 80.7934 -35.5982 -200.453 -35.5986 60.9884 -189.015 -200.453 -189.016 119.115 GPRESSURE: 4517800 98.9294 9.78316 -251.475 17.719 136.664 -214.451 -227.314 -205.971 115.661 PRESSAVG: 4517800 57.9322 -27.0884 -1.79713 -27.0884 -62.616 30.8062 -1.79706 30.8063 3.65922 GPRESSAVG: 4517800 56.8557 -23.7358 -1.66036 -27.4608 -61.3612 30.742 -3.07585 28.5944 3.67258 TIMING: 4517800 CPU: 14591.2, 0.00315757/step Wall: 14591.2, 0.00315757/step, 0.422939 hours remaining, 233.910156 MB of memory in use. ENERGY: 4517800 3930.2859 20609.9621 14611.3296 233.5702 -204023.3170 2898.2955 0.0000 0.0000 51823.0534 -109916.8203 297.8278 -161739.8737 -109552.1232 298.6706 86.9654 117.0850 758166.0080 -0.3415 -0.2776 PRESSURE: 4518000 223.991 152.88 -220.459 152.88 -326.247 -103.089 -220.46 -103.089 -98.3156 GPRESSURE: 4518000 250.119 38.7216 -107.786 71.7959 -163.613 -99.812 -179.698 -22.2032 -207.36 PRESSAVG: 4518000 53.6969 18.5914 -37.9122 18.5914 -24.5643 28.8677 -37.9122 28.8677 -10.6299 GPRESSAVG: 4518000 54.0037 17.1221 -37.4699 19.9681 -25.2764 28.6177 -39.4078 30.85 -11.1536 TIMING: 4518000 CPU: 14591.8, 0.00317111/step Wall: 14591.8, 0.00317111/step, 0.424576 hours remaining, 233.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4518000 3985.4706 20456.0414 14514.8260 236.3433 -203513.7114 2293.2817 0.0000 0.0000 52238.5997 -109789.1488 300.2160 -162027.7484 -109427.0690 298.4088 -66.8570 -40.2847 758811.8470 6.1676 5.8579 PRESSURE: 4518200 212.926 -46.0979 -86.3958 -46.0972 83.637 42.5299 -86.3959 42.5305 -59.8541 GPRESSURE: 4518200 161.561 -151.487 -70.6791 14.2222 143.5 37.8259 -204.043 68.2834 11.719 PRESSAVG: 4518200 2.09426 7.624 7.74637 7.62411 -31.528 25.7054 7.74637 25.7054 -24.9372 GPRESSAVG: 4518200 1.88175 7.93176 6.21334 6.21007 -32.7953 26.1431 10.1328 24.7523 -23.6716 TIMING: 4518200 CPU: 14592.4, 0.00314697/step Wall: 14592.4, 0.00314697/step, 0.42117 hours remaining, 233.910156 MB of memory in use. ENERGY: 4518200 3889.8164 20583.1918 14497.4713 234.5579 -203486.7224 2415.3157 0.0000 0.0000 52190.8542 -109675.5151 299.9416 -161866.3693 -109316.7802 299.0466 78.9029 105.5930 758339.6887 -18.1236 -18.1951 PRESSURE: 4518400 113.778 31.4199 13.5413 31.4192 -72.2747 1.64798 13.5415 1.64814 -122.509 GPRESSURE: 4518400 74.2093 74.1555 7.92996 83.1381 98.2181 51.8879 64.1649 -33.5897 -155.399 PRESSAVG: 4518400 56.268 33.835 9.10886 33.835 -68.5136 -7.08405 9.10886 -7.084 1.01974 GPRESSAVG: 4518400 55.3686 32.7328 10.0957 34.6374 -66.5093 -4.96815 9.00819 -7.93003 -0.22079 TIMING: 4518400 CPU: 14593.1, 0.00316012/step Wall: 14593.1, 0.00316012/step, 0.422754 hours remaining, 233.910156 MB of memory in use. ENERGY: 4518400 4000.5611 20459.0095 14598.9487 231.6218 -203562.9516 2248.7045 0.0000 0.0000 52163.9017 -109860.2044 299.7867 -162024.1061 -109501.3505 299.0052 -27.0017 5.6763 758968.0936 -3.7420 -3.7871 PRESSURE: 4518600 23.235 -132.356 228.237 -132.356 309.69 104.013 228.237 104.012 110.538 GPRESSURE: 4518600 82.2326 -130.781 275.778 -250.757 264.881 129.574 35.3073 -2.12451 168.001 PRESSAVG: 4518600 34.8767 -21.3876 -5.22239 -21.3876 -41.1321 26.2267 -5.22246 26.2267 8.35396 GPRESSAVG: 4518600 34.8954 -21.9683 -5.12462 -21.2581 -41.4682 24.6828 -5.50129 25.68 8.66583 TIMING: 4518600 CPU: 14593.7, 0.00312947/step Wall: 14593.7, 0.00312947/step, 0.418479 hours remaining, 233.964844 MB of memory in use. ENERGY: 4518600 4006.1815 20482.5209 14517.0278 251.4637 -203937.5824 2711.6291 0.0000 0.0000 51817.4514 -110151.3079 297.7956 -161968.7594 -109794.7628 298.4554 147.8211 171.7047 759612.3171 0.6995 0.6977 PRESSURE: 4518800 129.809 11.3883 -8.56928 11.389 67.7372 -56.1512 -8.5698 -56.1509 -441.655 GPRESSURE: 4518800 130.752 -26.7834 24.9589 -66.9404 60.615 1.28711 -51.9029 -121.51 -324.328 PRESSAVG: 4518800 23.9782 -14.2476 -12.4129 -14.2476 -3.26258 -24.1974 -12.4128 -24.1973 4.2642 GPRESSAVG: 4518800 24.0137 -12.3742 -12.6777 -15.0363 -3.69862 -24.1064 -12.5859 -23.1444 5.13261 TIMING: 4518800 CPU: 14594.3, 0.00314029/step Wall: 14594.3, 0.00314029/step, 0.419752 hours remaining, 233.964844 MB of memory in use. ENERGY: 4518800 3954.9505 20434.9831 14468.7239 239.3438 -203829.9587 2752.8922 0.0000 0.0000 51825.9739 -110153.0912 297.8446 -161979.0651 -109797.9742 297.9626 -81.3695 -44.3203 760737.3835 8.3266 8.4826 PRESSURE: 4519000 32.5987 -85.7399 -123.987 -85.7397 330.304 220.72 -123.985 220.721 505.122 GPRESSURE: 4519000 195.358 -133.792 -99.5008 -158.369 332.093 248.974 -142.004 108.393 429.46 PRESSAVG: 4519000 31.1682 -80.858 -30.7705 -80.858 -40.5571 18.6829 -30.7705 18.683 9.8844 GPRESSAVG: 4519000 32.0096 -80.0767 -30.888 -80.7274 -40.3669 18.6269 -29.9431 19.4228 8.48548 TIMING: 4519000 CPU: 14594.9, 0.00313326/step Wall: 14594.9, 0.00313326/step, 0.418639 hours remaining, 233.964844 MB of memory in use. ENERGY: 4519000 3934.6616 20491.7243 14481.4850 241.7870 -203735.9675 2564.6141 0.0000 0.0000 52005.3617 -110016.3338 298.8755 -162021.6955 -109657.9565 298.0573 289.3416 318.9702 759553.4741 0.1652 0.0427 PRESSURE: 4519200 -195.803 -47.7252 -42.8212 -47.7247 -143.562 -126.804 -42.8211 -126.805 -370.322 GPRESSURE: 4519200 -197.676 10.9567 5.65746 -58.9861 -29.7229 -170.83 -69.6727 -183.052 -418.027 PRESSAVG: 4519200 32.8813 -37.9381 -29.0514 -37.9381 -20.5905 -13.9182 -29.0514 -13.9183 0.891897 GPRESSAVG: 4519200 30.3354 -39.817 -28.178 -35.597 -19.0998 -14.4495 -30.6608 -12.6435 1.3774 TIMING: 4519200 CPU: 14595.6, 0.00312995/step Wall: 14595.6, 0.00312995/step, 0.418022 hours remaining, 233.964844 MB of memory in use. ENERGY: 4519200 3985.4515 20574.9585 14545.9383 258.6195 -203630.4673 2317.5970 0.0000 0.0000 52008.0903 -109939.8122 298.8912 -161947.9025 -109571.6545 298.3304 -236.5623 -215.1419 760305.7393 4.3942 4.2043 PRESSURE: 4519400 -27.7426 -50.6294 -12.9369 -50.6299 321.553 -269.455 -12.937 -269.455 -52.5023 GPRESSURE: 4519400 -20.8507 -28.4297 2.75857 -8.77997 324.7 -218.327 11.3611 -166.673 3.88959 PRESSAVG: 4519400 77.202 -44.311 47.9006 -44.311 -71.9568 -46.512 47.9006 -46.512 -9.79595 GPRESSAVG: 4519400 78.7124 -43.252 49.37 -46.9906 -72.855 -46.2988 47.3696 -47.0251 -10.0503 TIMING: 4519400 CPU: 14596.2, 0.00314379/step Wall: 14596.2, 0.00314379/step, 0.419696 hours remaining, 233.964844 MB of memory in use. ENERGY: 4519400 3939.5311 20532.5443 14502.7859 256.7087 -203783.4947 2631.3399 0.0000 0.0000 51866.3489 -110054.2358 298.0766 -161920.5847 -109694.0176 298.2620 80.4359 102.5798 760344.2354 -1.5169 -1.3976 PRESSURE: 4519600 -39.5466 28.5617 34.0631 28.5618 -0.635687 253.569 34.0631 253.569 -91.4208 GPRESSURE: 4519600 -0.80394 -106.919 12.2792 65.9166 14.6261 251.517 124.457 300.214 -64.6174 PRESSAVG: 4519600 61.0107 -9.88111 6.72078 -9.88105 -37.1026 22.676 6.72081 22.676 -6.57662 GPRESSAVG: 4519600 61.0055 -10.6243 4.35679 -11.9712 -36.9711 23.5354 9.31792 20.7263 -6.32514 TIMING: 4519600 CPU: 14596.8, 0.00316011/step Wall: 14596.8, 0.00316011/step, 0.4217 hours remaining, 233.964844 MB of memory in use. ENERGY: 4519600 4016.3294 20553.6387 14548.1071 222.9051 -203632.5484 2504.3467 0.0000 0.0000 52025.6423 -109761.5791 298.9921 -161787.2214 -109398.3042 298.3385 -43.8677 -16.9317 762014.3008 5.7772 5.9031 PRESSURE: 4519800 235.857 -49.4079 -259.185 -49.4072 -45.8071 -5.78133 -259.185 -5.78191 -296.192 GPRESSURE: 4519800 228.778 -35.0961 -247.699 -80.3168 9.91455 45.7356 -355.12 61.3114 -254.764 PRESSAVG: 4519800 21.0761 -27.748 -21.9235 -27.748 -47.8622 35.0269 -21.9236 35.0269 9.04981 GPRESSAVG: 4519800 21.815 -27.8265 -20.5282 -25.8666 -48.1221 35.4442 -24.4021 38.1191 8.71832 TIMING: 4519800 CPU: 14597.5, 0.00310462/step Wall: 14597.5, 0.00310462/step, 0.414122 hours remaining, 233.964844 MB of memory in use. ENERGY: 4519800 3909.7197 20308.8908 14491.6526 248.2364 -203761.1343 2634.6312 0.0000 0.0000 52316.4182 -109851.5854 300.6632 -162168.0036 -109486.2118 298.5439 -35.3808 -5.3572 761205.1786 -5.9121 -5.8629 PRESSURE: 4520000 -125.703 4.60371 -173.674 4.60403 61.8548 -323.571 -173.675 -323.572 -322.544 GPRESSURE: 4520000 -104.367 -28.4168 -229.521 94.2569 50.1743 -313.499 -43.8923 -295.768 -256.963 PRESSAVG: 4520000 52.5605 5.3074 -35.2952 5.30744 -72.0939 22.182 -35.2952 22.1819 -20.8019 GPRESSAVG: 4520000 51.9882 5.67932 -37.705 6.93951 -72.2077 20.8342 -33.5154 19.9305 -20.0811 TIMING: 4520000 CPU: 14598.1, 0.00312278/step Wall: 14598.1, 0.00312278/step, 0.416371 hours remaining, 233.964844 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: 4520000 4004.9164 20438.7937 14493.1396 248.6967 -203910.0876 2813.4294 0.0000 0.0000 52185.3559 -109725.7559 299.9100 -161911.1118 -109364.8527 298.8026 -128.7975 -103.7188 760432.8625 -13.4451 -13.4336 PRESSURE: 4520200 79.1718 27.6448 84.9813 27.6446 -327.912 187.182 84.9816 187.183 -130.385 GPRESSURE: 4520200 72.3086 -74.9122 139.027 70.5834 -371.305 187.823 1.13247 80.1997 11.5521 PRESSAVG: 4520200 33.9462 3.79012 -20.0717 3.7901 -66.9659 2.48292 -20.0716 2.48289 -4.47253 GPRESSAVG: 4520200 35.1224 4.56103 -18.2545 1.24985 -67.2864 2.88062 -20.3319 3.40048 -4.68218 TIMING: 4520200 CPU: 14598.7, 0.00311594/step Wall: 14598.7, 0.00311594/step, 0.415286 hours remaining, 234.035156 MB of memory in use. ENERGY: 4520200 4034.1890 20531.8335 14487.6962 218.5515 -203899.5993 2663.2239 0.0000 0.0000 52265.8797 -109698.2255 300.3727 -161964.1051 -109333.7168 299.1201 -126.3750 -95.8146 761374.4046 -12.4974 -12.2820 LDB: ============= START OF LOAD BALANCING ============== 14611.1 LDB: ============== END OF LOAD BALANCING =============== 14611.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14611.1 LDB: ============= START OF LOAD BALANCING ============== 14611.4 LDB: Largest compute 7066 load 0.030684 is 15.7% of average load 0.195564 LDB: Average compute 0.004394 is 2.2% of average load 0.195564 LDB: TIME 14611.4 LOAD: AVG 0.195564 MAX 0.213283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.859 MB LDB: TIME 14611.4 LOAD: AVG 0.195564 MAX 0.213283 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.895 MB LDB: TIME 14611.4 LOAD: AVG 0.195564 MAX 0.213283 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.895 MB LDB: ============== END OF LOAD BALANCING =============== 14611.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14611.4 PRESSURE: 4520400 -333.475 -61.4617 1.15989 -61.4614 -336.384 -59.9999 1.1597 -59.9999 -779.926 GPRESSURE: 4520400 -399.92 46.2846 28.1381 -6.5781 -325.889 -137.138 -19.935 -82.9484 -649.731 PRESSAVG: 4520400 64.653 1.53059 42.2889 1.53061 -77.9559 -10.1174 42.2888 -10.1175 5.07849 GPRESSAVG: 4520400 63.3147 -0.850828 42.4516 4.08476 -76.977 -10.326 41.973 -11.5138 5.45916 TIMING: 4520400 CPU: 14599.3, 0.0031916/step Wall: 14599.3, 0.0031916/step, 0.425192 hours remaining, 235.316406 MB of memory in use. ENERGY: 4520400 3940.4080 20526.5679 14492.4090 250.6181 -203678.0136 2580.0866 0.0000 0.0000 52118.6894 -109769.2346 299.5268 -161887.9240 -109397.4276 298.9067 -483.2617 -458.5129 761197.6674 -2.7415 -2.7344 PRESSURE: 4520600 -431.776 -84.1098 -200.457 -84.1099 -332.011 -10.2257 -200.457 -10.2263 -166.861 GPRESSURE: 4520600 -399.278 -114.944 -218.632 -110.664 -305.554 -96.7751 -57.1835 134.296 -111.435 PRESSAVG: 4520600 15.5709 15.9957 -17.8563 15.9957 -11.8942 -46.0767 -17.8564 -46.0768 -31.1679 GPRESSAVG: 4520600 14.5635 16.8287 -17.1908 14.6046 -11.3021 -47.0737 -16.6189 -44.1048 -30.8678 TIMING: 4520600 CPU: 14600, 0.00312442/step Wall: 14600, 0.00312442/step, 0.416068 hours remaining, 235.574219 MB of memory in use. ENERGY: 4520600 4000.4564 20626.3143 14507.6520 243.2478 -203699.0399 2399.7679 0.0000 0.0000 51948.4405 -109973.1609 298.5484 -161921.6015 -109618.8094 298.9838 -310.2160 -272.0892 759510.9574 -9.1637 -9.2021 PRESSURE: 4520800 66.6117 -82.8168 128.149 -82.8173 -213.414 -43.7616 128.149 -43.7622 -7.471 GPRESSURE: 4520800 111.089 -56.8486 177.419 -85.3657 -210.33 -40.937 127.078 100.173 10.0579 PRESSAVG: 4520800 32.6809 -3.93914 -72.1113 -3.93916 11.6951 24.6004 -72.1113 24.6004 0.394708 GPRESSAVG: 4520800 33.9361 -3.45831 -72.571 -0.949334 11.0334 26.916 -72.4917 23.7979 0.108345 TIMING: 4520800 CPU: 14600.6, 0.00313087/step Wall: 14600.6, 0.00313087/step, 0.416753 hours remaining, 235.574219 MB of memory in use. ENERGY: 4520800 3958.8566 20653.4131 14402.1596 238.0754 -203298.4632 2167.2194 0.0000 0.0000 51885.9405 -109992.7985 298.1892 -161878.7390 -109633.1427 298.9599 -51.4245 -29.7280 760009.0467 14.9236 15.0259 PRESSURE: 4521000 34.8525 125.807 -104.097 125.808 175.025 49.7718 -104.097 49.7709 15.4327 GPRESSURE: 4521000 -20.2388 61.917 -139.402 78.0661 268.911 20.227 -48.6983 -97.136 71.3546 PRESSAVG: 4521000 44.9541 -20.6456 -28.5691 -20.6456 -34.5504 37.1293 -28.5691 37.1293 0.842147 GPRESSAVG: 4521000 45.3481 -21.2419 -29.5799 -23.1196 -34.0585 35.329 -28.5158 36.4311 -0.10491 TIMING: 4521000 CPU: 14601.2, 0.00311737/step Wall: 14601.2, 0.00311737/step, 0.414784 hours remaining, 235.574219 MB of memory in use. ENERGY: 4521000 3952.8396 20597.5736 14422.5491 250.9428 -203621.2091 2473.2348 0.0000 0.0000 51966.7474 -109957.3218 298.6536 -161924.0692 -109579.8783 297.9624 75.1033 106.6755 758689.5426 3.7486 3.7283 PRESSURE: 4521200 442.956 -89.8729 -209.988 -89.8732 252.975 199.34 -209.988 199.339 -73.8991 GPRESSURE: 4521200 444.4 -81.7973 -162.271 -227.642 319.517 217.281 -372.365 317.937 -51.8027 PRESSAVG: 4521200 3.29187 18.8418 -51.8718 18.8418 23.4982 47.8872 -51.8718 47.8872 -1.5734 GPRESSAVG: 4521200 2.81176 19.2299 -49.3894 18.2627 23.6035 47.0369 -54.6473 49.1038 -0.674998 TIMING: 4521200 CPU: 14601.8, 0.00310971/step Wall: 14601.8, 0.00310971/step, 0.413592 hours remaining, 235.574219 MB of memory in use. ENERGY: 4521200 4025.6254 20538.5610 14403.7895 236.1654 -203972.1413 3031.8319 0.0000 0.0000 51886.1873 -109849.9808 298.1906 -161736.1681 -109494.8983 298.6829 207.3441 237.3713 759943.9930 8.4056 8.5801 PRESSURE: 4521400 291.534 -138.804 92.2979 -138.804 -352.512 212.226 92.2985 212.227 3.4166 GPRESSURE: 4521400 292.267 -80.5118 33.8068 -145.815 -242.891 159.313 245.646 231.257 -36.6803 PRESSAVG: 4521400 30.1752 1.03118 -37.9316 1.03125 -17.8643 3.02799 -37.9315 3.02795 -1.43497 GPRESSAVG: 4521400 31.8244 -0.00176254 -39.0144 1.85991 -18.6066 3.63562 -36.7489 3.46401 -2.65585 TIMING: 4521400 CPU: 14602.5, 0.00313284/step Wall: 14602.5, 0.00313284/step, 0.416494 hours remaining, 235.574219 MB of memory in use. ENERGY: 4521400 3987.1512 20518.8535 14459.9287 251.2369 -203730.3567 2549.5751 0.0000 0.0000 52277.1510 -109686.4604 300.4375 -161963.6113 -109318.9412 299.0479 -19.1874 4.2317 759051.9340 3.6253 3.5206 PRESSURE: 4521600 -278.063 133.357 -45.4513 133.357 282.498 -35.4757 -45.4501 -35.4752 -104.926 GPRESSURE: 4521600 -202.663 189.42 15.945 116.512 235.948 -42.2657 -66.1313 -126.14 -39.5726 PRESSAVG: 4521600 9.44025 20.261 -31.2229 20.2609 2.56896 -38.0523 -31.2229 -38.0523 8.3141 GPRESSAVG: 4521600 8.42831 19.8856 -31.7373 20.6263 2.54139 -36.3216 -31.4734 -39.0772 8.94922 TIMING: 4521600 CPU: 14603.1, 0.00312169/step Wall: 14603.1, 0.00312169/step, 0.414838 hours remaining, 235.574219 MB of memory in use. ENERGY: 4521600 4033.6658 20541.8521 14461.1174 263.9360 -203154.1020 2642.6363 0.0000 0.0000 51690.0068 -109520.8875 297.0632 -161210.8943 -109156.6974 299.0799 -33.4972 -2.0961 761562.6509 6.7744 6.6396 PRESSURE: 4521800 -153.453 -62.8347 25.8522 -62.8336 79.7037 234.324 25.8523 234.323 352.554 GPRESSURE: 4521800 -66.6615 -28.323 -6.40601 -149.247 152.148 259.186 150.604 101.594 312.354 PRESSAVG: 4521800 20.9376 30.9611 -15.6182 30.9611 -2.68334 7.68584 -15.6182 7.68588 -1.7343 GPRESSAVG: 4521800 20.2225 33.7238 -17.4154 28.3908 -1.82478 6.8267 -11.7771 8.35113 -2.04368 TIMING: 4521800 CPU: 14603.7, 0.00311581/step Wall: 14603.7, 0.00311581/step, 0.413883 hours remaining, 235.574219 MB of memory in use. ENERGY: 4521800 3942.0800 20518.7597 14441.5552 236.9561 -202953.6771 2440.0239 0.0000 0.0000 51895.7789 -109478.5234 298.2458 -161374.3022 -109116.7176 299.3194 92.9347 132.6134 760543.1514 5.5066 5.4514 PRESSURE: 4522000 -384.235 76.8133 56.3815 76.8137 -125.959 50.7021 56.3812 50.703 62.7011 GPRESSURE: 4522000 -348.876 85.5131 130.354 130.856 1.50233 57.6322 136.863 -42.2461 4.55895 PRESSAVG: 4522000 -7.60305 -11.1691 -15.1864 -11.1691 16.5218 45.9486 -15.1863 45.9485 11.0917 GPRESSAVG: 4522000 -6.88515 -12.5585 -13.656 -6.63363 15.2458 44.5979 -16.5634 46.3516 11.5637 TIMING: 4522000 CPU: 14604.3, 0.00311966/step Wall: 14604.3, 0.00311966/step, 0.414221 hours remaining, 235.574219 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: 4522000 4043.0323 20418.0257 14492.5849 267.3802 -203030.9578 2292.0482 0.0000 0.0000 51938.6285 -109579.2579 298.4920 -161517.8864 -109223.4235 298.7435 -149.1645 -114.2717 762488.1385 6.6701 6.6414 PRESSURE: 4522200 83.4458 -34.4776 -129.187 -34.4773 -368.607 78.1166 -129.186 78.1168 -144.363 GPRESSURE: 4522200 104.012 -42.3745 -146.243 6.88535 -310.557 82.5347 -91.8037 16.0183 -150.299 PRESSAVG: 4522200 -9.89866 40.8644 -11.4373 40.8643 20.6538 -33.2641 -11.4373 -33.2641 10.5027 GPRESSAVG: 4522200 -11.4354 41.1115 -11.3922 37.6633 20.049 -33.127 -12.6281 -33.6505 12.1859 TIMING: 4522200 CPU: 14605, 0.00311543/step Wall: 14605, 0.00311543/step, 0.413486 hours remaining, 235.574219 MB of memory in use. ENERGY: 4522200 3983.0302 20332.9158 14454.5385 259.8128 -203081.8395 2390.0181 0.0000 0.0000 51967.1559 -109694.3681 298.6560 -161661.5240 -109322.5220 298.7369 -143.1747 -118.9481 762269.8257 7.0859 6.9332 PRESSURE: 4522400 -368.25 -76.2587 191.652 -76.258 -29.3282 212.808 191.652 212.808 -56.5966 GPRESSURE: 4522400 -262.237 10.2338 99.3863 -46.7108 -48.7253 223.001 88.309 282.291 -64.5368 PRESSAVG: 4522400 39.0303 22.076 -20.2464 22.076 -40.9652 3.30406 -20.2464 3.30403 26.4069 GPRESSAVG: 4522400 39.1303 22.9367 -20.5932 22.3519 -39.8297 2.28599 -21.3076 4.86402 25.3121 TIMING: 4522400 CPU: 14605.6, 0.00311208/step Wall: 14605.6, 0.00311208/step, 0.41287 hours remaining, 235.574219 MB of memory in use. ENERGY: 4522400 4032.6884 20469.7481 14472.3889 244.6133 -203047.9980 2263.1485 0.0000 0.0000 52055.4770 -109509.9338 299.1635 -161565.4108 -109145.1231 298.9193 -151.3917 -125.1662 761011.3181 8.1573 8.2042 PRESSURE: 4522600 -122.612 -8.24841 -81.5446 -8.24806 -270.317 42.6428 -81.5444 42.6428 -20.658 GPRESSURE: 4522600 -72.6738 -33.0852 -108.028 -81.7559 -264.378 -0.672272 3.08297 72.1969 18.1448 PRESSAVG: 4522600 58.5398 42.1515 1.94806 42.1515 -60.6826 24.4336 1.94809 24.4336 -13.1813 GPRESSAVG: 4522600 59.0761 40.9797 1.736 42.8525 -60.4539 25.579 4.3971 22.4938 -13.329 TIMING: 4522600 CPU: 14606.2, 0.00311661/step Wall: 14606.2, 0.00311661/step, 0.413297 hours remaining, 235.574219 MB of memory in use. ENERGY: 4522600 4008.5256 20339.8164 14416.6066 242.6241 -203156.9154 2473.2584 0.0000 0.0000 52079.0510 -109597.0332 299.2990 -161676.0843 -109231.8912 299.0042 -137.8624 -106.3024 761812.4467 -5.1081 -4.9023 PRESSURE: 4522800 171.246 -96.7659 157.605 -96.7654 122.882 -7.93551 157.605 -7.93598 -359.365 GPRESSURE: 4522800 295.716 -121.286 140.885 48.0075 60.7844 62.0495 93.2947 26.0679 -319.84 PRESSAVG: 4522800 22.1479 -41.0127 51.718 -41.0127 -32.6786 -6.77919 51.7181 -6.7792 -25.802 GPRESSAVG: 4522800 23.9613 -42.2813 51.7478 -40.867 -33.4915 -5.47996 51.0193 -5.64458 -26.3433 TIMING: 4522800 CPU: 14606.8, 0.00310796/step Wall: 14606.8, 0.00310796/step, 0.411977 hours remaining, 235.574219 MB of memory in use. ENERGY: 4522800 4041.2699 20411.5284 14468.4990 226.0612 -203646.2848 2684.2607 0.0000 0.0000 51992.0901 -109822.5755 298.7993 -161814.6656 -109458.7909 299.0421 -21.7457 12.2201 760477.9818 -12.1109 -11.9578 PRESSURE: 4523000 -76.763 -97.6407 -189.15 -97.64 -489.537 -127.919 -189.15 -127.918 -586.562 GPRESSURE: 4523000 -168.818 -89.5594 -124.606 -226.99 -391.855 -116.049 -151.614 -110.049 -505.983 PRESSAVG: 4523000 67.8731 -28.4995 -41.2511 -28.4995 -51.0595 -46.8824 -41.2511 -46.8825 -0.983129 GPRESSAVG: 4523000 66.6029 -27.6492 -41.2404 -30.0546 -51.0083 -48.6405 -43.3299 -45.1447 0.481789 TIMING: 4523000 CPU: 14607.4, 0.00311226/step Wall: 14607.4, 0.00311226/step, 0.412374 hours remaining, 235.574219 MB of memory in use. ENERGY: 4523000 3958.0054 20303.6632 14422.6779 260.9860 -202886.4761 2302.7745 0.0000 0.0000 51892.4308 -109745.9383 298.2265 -161638.3691 -109376.4059 298.6151 -384.2876 -355.5522 763837.3038 5.2768 5.3588 PRESSURE: 4523200 317.96 -48.5872 -25.9925 -48.5885 -21.597 -30.8235 -25.9929 -30.8233 320.959 GPRESSURE: 4523200 309.89 -97.8136 -27.723 -131.521 16.9124 7.09403 46.2365 -46.1337 373.147 PRESSAVG: 4523200 13.4321 -61.4701 31.1316 -61.4702 -67.2688 -39.2025 31.1316 -39.2025 -23.1865 GPRESSAVG: 4523200 13.4915 -62.6991 30.2954 -60.5878 -66.6435 -39.9831 31.8414 -39.7292 -23.9645 TIMING: 4523200 CPU: 14608.1, 0.00309854/step Wall: 14608.1, 0.00309854/step, 0.410384 hours remaining, 235.574219 MB of memory in use. ENERGY: 4523200 3980.5884 20381.6639 14441.4421 250.2893 -203556.6799 2694.8611 0.0000 0.0000 52217.1333 -109590.7018 300.0926 -161807.8351 -109222.3466 298.7655 205.7741 233.3164 761703.5577 -25.6744 -25.7055 PRESSURE: 4523400 91.3411 46.0248 -3.25738 46.0246 341.097 34.8505 -3.25733 34.8505 -274.271 GPRESSURE: 4523400 154.861 72.2043 -2.69445 105.896 262.579 32.1345 76.9536 88.6013 -155.678 PRESSAVG: 4523400 1.89473 2.94606 30.9367 2.94603 24.8946 -83.8191 30.9368 -83.8192 18.4357 GPRESSAVG: 4523400 2.16943 3.24146 30.1301 2.88852 25.3395 -82.8072 32.4077 -83.5648 18.7994 TIMING: 4523400 CPU: 14608.7, 0.00311864/step Wall: 14608.7, 0.00311864/step, 0.412873 hours remaining, 235.574219 MB of memory in use. ENERGY: 4523400 3936.7897 20233.4187 14474.0940 251.8294 -203357.1185 2875.2013 0.0000 0.0000 52008.9509 -109576.8345 298.8962 -161585.7854 -109213.2657 298.6968 52.7223 87.2541 761431.2217 15.0750 15.4361 PRESSURE: 4523600 -273.598 -222.068 60.3508 -222.068 -30.3973 36.7674 60.3516 36.7671 -771.922 GPRESSURE: 4523600 -193.544 -230.85 -18.49 -204.286 -38.4555 -7.06169 -24.7536 57.2028 -769.472 PRESSAVG: 4523600 15.3499 19.6223 -46.6757 19.6223 -24.7389 -10.1733 -46.6757 -10.1733 16.5846 GPRESSAVG: 4523600 16.1942 22.0756 -47.6667 18.8524 -25.0914 -8.3837 -46.6965 -11.8788 15.9748 TIMING: 4523600 CPU: 14609.3, 0.00313608/step Wall: 14609.3, 0.00313608/step, 0.415008 hours remaining, 235.574219 MB of memory in use. ENERGY: 4523600 3966.6014 20485.2507 14575.2319 240.9784 -203506.7956 2493.7453 0.0000 0.0000 52120.9623 -109624.0256 299.5399 -161744.9879 -109259.1995 298.7351 -358.6389 -333.8241 760735.2103 2.3985 2.3592 PRESSURE: 4523800 193.228 9.31027 -93.9613 9.31073 52.9576 -118.982 -93.9613 -118.982 -106.813 GPRESSURE: 4523800 305.216 108.7 -70.3721 -0.508134 35.5469 -67.9957 71.8128 -186.013 -96.2414 PRESSAVG: 4523800 4.16132 5.34053 -19.8338 5.34055 21.9099 -36.1804 -19.8338 -36.1804 28.2496 GPRESSAVG: 4523800 4.63636 3.46778 -17.8241 3.58125 21.5483 -38.9442 -22.3933 -35.9544 28.1971 TIMING: 4523800 CPU: 14609.9, 0.00314664/step Wall: 14609.9, 0.00314664/step, 0.416231 hours remaining, 235.574219 MB of memory in use. ENERGY: 4523800 3949.2055 20528.3249 14502.5805 251.4977 -203579.7242 2897.4448 0.0000 0.0000 51816.4718 -109634.1992 297.7900 -161450.6710 -109272.7552 298.7537 46.4576 81.5071 759761.8510 18.1069 18.1272 PRESSURE: 4524000 25.0387 212.354 264.137 212.354 -222.931 -154.587 264.137 -154.587 -536.505 GPRESSURE: 4524000 1.00774 136.409 195.322 117.991 -207.681 -146.159 77.2849 -209.641 -447.829 PRESSAVG: 4524000 7.69984 -41.2494 -32.3293 -41.2495 18.6441 -8.64692 -32.3293 -8.64688 -34.6282 GPRESSAVG: 4524000 6.65605 -42.4218 -31.1154 -38.313 18.7411 -8.7893 -31.1805 -8.53652 -33.8941 TIMING: 4524000 CPU: 14610.6, 0.00313858/step Wall: 14610.6, 0.00313858/step, 0.41499 hours remaining, 235.574219 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: 4524000 3917.7850 20582.2017 14532.6240 237.7935 -202874.2815 2352.0397 0.0000 0.0000 51765.8849 -109485.9526 297.4993 -161251.8375 -109127.3400 298.6889 -244.7994 -218.1675 761918.0526 -2.7614 -2.8323 PRESSURE: 4524200 47.3257 -70.7144 -24.9821 -70.7141 -147.176 48.2235 -24.9821 48.2225 98.5984 GPRESSURE: 4524200 101.551 -73.5548 -129.653 45.8066 -122.915 112.858 72.4855 6.12412 118.59 PRESSAVG: 4524200 40.8687 -14.9117 15.0082 -14.9117 5.08571 -57.3038 15.0082 -57.3038 7.44047 GPRESSAVG: 4524200 42.0663 -14.479 14.6424 -14.6632 4.33297 -55.3316 14.8337 -56.072 6.98044 TIMING: 4524200 CPU: 14611.2, 0.00312043/step Wall: 14611.2, 0.00312043/step, 0.412417 hours remaining, 235.574219 MB of memory in use. ENERGY: 4524200 3957.8643 20608.1849 14492.7863 239.9052 -203088.2074 2473.5566 0.0000 0.0000 51884.3591 -109431.5510 298.1801 -161315.9101 -109070.1679 298.8829 -0.4172 32.4085 761125.4720 17.7983 17.7932 LDB: ============= START OF LOAD BALANCING ============== 14623.6 LDB: ============== END OF LOAD BALANCING =============== 14623.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14623.6 LDB: ============= START OF LOAD BALANCING ============== 14623.9 LDB: Largest compute 7031 load 0.031972 is 16.4% of average load 0.195490 LDB: Average compute 0.004392 is 2.2% of average load 0.195490 LDB: TIME 14623.9 LOAD: AVG 0.19549 MAX 0.217569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.293 MB LDB: TIME 14623.9 LOAD: AVG 0.19549 MAX 0.217569 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: TIME 14623.9 LOAD: AVG 0.19549 MAX 0.217569 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: ============== END OF LOAD BALANCING =============== 14624 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14624 PRESSURE: 4524400 -79.3503 54.4365 -200.121 54.4366 -109.316 -174.695 -200.123 -174.695 -29.9338 GPRESSURE: 4524400 -51.2455 102.232 -210.538 67.0066 -66.7307 -248.565 -101.11 -177.341 -22.4897 PRESSAVG: 4524400 13.5482 -9.22461 -19.0797 -9.22463 -7.645 -48.7394 -19.0797 -48.7394 7.16224 GPRESSAVG: 4524400 13.139 -8.0385 -19.8997 -11.3745 -7.29259 -49.8919 -17.5877 -51.0083 7.85123 TIMING: 4524400 CPU: 14611.9, 0.00324472/step Wall: 14611.9, 0.00324472/step, 0.428663 hours remaining, 236.085938 MB of memory in use. ENERGY: 4524400 3907.5253 20447.6220 14498.7639 264.4165 -203286.0245 2573.3772 0.0000 0.0000 52118.9732 -109475.3465 299.5285 -161594.3196 -109107.1729 299.2517 -72.8668 -46.8220 760837.1220 4.3551 4.5659 PRESSURE: 4524600 -24.2818 -250.138 141.513 -250.139 -122.146 -241.859 141.513 -241.86 -386.147 GPRESSURE: 4524600 67.6717 -199.582 72.0405 -307.76 -149.016 -61.2841 -108.614 -197.848 -352.593 PRESSAVG: 4524600 19.9661 18.345 -14.4038 18.345 1.07395 -1.91787 -14.4038 -1.91795 -3.85837 GPRESSAVG: 4524600 20.6333 17.2384 -15.3632 17.2422 1.03116 -1.23933 -16.3074 1.48069 -4.17617 TIMING: 4524600 CPU: 14612.5, 0.00313364/step Wall: 14612.5, 0.00313364/step, 0.413815 hours remaining, 236.085938 MB of memory in use. ENERGY: 4524600 3886.2127 20334.0871 14557.0136 274.7919 -203115.6156 2431.1042 0.0000 0.0000 52125.0571 -109507.3490 299.5634 -161632.4061 -109134.1118 299.4837 -177.5252 -144.6458 761688.0676 5.7272 5.8294 PRESSURE: 4524800 -53.0167 167.763 -314.987 167.764 -244.794 193.273 -314.987 193.273 -113.583 GPRESSURE: 4524800 -40.2161 198.067 -311.006 140.916 -129.828 185.296 -89.3816 -21.5254 -134.808 PRESSAVG: 4524800 30.1034 10.8533 77.233 10.8534 -4.31551 -13.5152 77.233 -13.5153 13.729 GPRESSAVG: 4524800 29.9608 12.6108 77.7879 10.742 -3.65017 -15.0574 76.5335 -15.5689 13.8258 TIMING: 4524800 CPU: 14613.1, 0.00312325/step Wall: 14613.1, 0.00312325/step, 0.412269 hours remaining, 236.085938 MB of memory in use. ENERGY: 4524800 3972.0294 20509.7529 14538.5443 243.7134 -203202.6786 2440.1375 0.0000 0.0000 52201.5633 -109296.9379 300.0031 -161498.5012 -108928.0016 299.4630 -137.1311 -101.6172 762622.4518 13.1723 13.3788 PRESSURE: 4525000 133.575 29.6769 44.1617 29.6764 -17.3054 59.0456 44.162 59.0455 224.588 GPRESSURE: 4525000 192.087 74.7771 137.777 70.9728 4.27426 94.1308 8.65894 -36.1497 239.853 PRESSAVG: 4525000 33.6044 6.08118 30.4527 6.08121 -17.36 11.8598 30.4527 11.8599 2.18573 GPRESSAVG: 4525000 33.5197 4.56936 30.4085 8.47874 -17.1782 13.7151 30.9763 12.0498 2.08638 TIMING: 4525000 CPU: 14613.7, 0.00312753/step Wall: 14613.7, 0.00312753/step, 0.41266 hours remaining, 236.281250 MB of memory in use. ENERGY: 4525000 4005.3937 20571.7365 14438.7182 261.2478 -203032.2941 2270.6298 0.0000 0.0000 52101.9102 -109382.6579 299.4304 -161484.5681 -109017.1664 299.8120 113.6193 145.4045 762023.4904 6.1434 6.1426 PRESSURE: 4525200 136.036 44.1729 298.178 44.1736 -60.6321 -47.6551 298.177 -47.6545 -287.239 GPRESSURE: 4525200 167.246 96.2901 336.745 -70.5102 -52.3175 -34.8309 158.506 82.4101 -253.37 PRESSAVG: 4525200 -13.9094 -38.6176 -2.87927 -38.6176 -10.1953 57.6859 -2.8793 57.6858 -15.595 GPRESSAVG: 4525200 -12.9266 -38.4039 -3.51604 -38.3421 -10.9147 55.3001 -3.23341 59.1925 -15.5543 TIMING: 4525200 CPU: 14614.4, 0.00311951/step Wall: 14614.4, 0.00311951/step, 0.411428 hours remaining, 236.281250 MB of memory in use. ENERGY: 4525200 3990.7895 20501.0883 14495.6248 242.0169 -203296.5732 2351.0674 0.0000 0.0000 52174.8759 -109541.1104 299.8497 -161715.9863 -109174.2059 299.1747 -70.6117 -46.1473 760676.6410 -13.2332 -13.1319 PRESSURE: 4525400 -386.17 -201.755 -92.9775 -201.755 -385.224 -103.337 -92.9772 -103.338 91.1618 GPRESSURE: 4525400 -375.488 -181.53 -59.16 -165.957 -198.247 -8.86062 46.9102 -78.5981 -11.8713 PRESSAVG: 4525400 60.0983 -0.0114618 -6.46917 -0.0114586 -55.3839 38.9781 -6.46917 38.978 2.98969 GPRESSAVG: 4525400 57.4138 0.281434 -4.75466 -1.75231 -53.1781 40.5898 -4.0647 36.7277 2.86667 TIMING: 4525400 CPU: 14615, 0.00312189/step Wall: 14615, 0.00312189/step, 0.41157 hours remaining, 236.281250 MB of memory in use. ENERGY: 4525400 3911.1707 20444.1021 14512.1759 253.4082 -202894.7875 2118.7337 0.0000 0.0000 52013.2145 -109641.9824 298.9207 -161655.1969 -109274.9579 299.2145 -226.7439 -195.2021 763347.2572 2.5681 2.3674 PRESSURE: 4525600 39.4564 -56.5303 -87.0905 -56.5294 -486.41 329.689 -87.0914 329.688 -84.0828 GPRESSURE: 4525600 33.8794 -6.62547 -16.709 -101.165 -380.422 279.908 -241.39 203.179 -104.655 PRESSAVG: 4525600 6.92706 -51.3433 29.2881 -51.3433 -19.716 38.6849 29.2882 38.6849 8.45729 GPRESSAVG: 4525600 9.48376 -52.682 27.3672 -49.5122 -20.7106 38.3749 26.8399 39.0454 6.94198 TIMING: 4525600 CPU: 14615.6, 0.00312359/step Wall: 14615.6, 0.00312359/step, 0.41162 hours remaining, 236.281250 MB of memory in use. ENERGY: 4525600 3993.9687 20570.0582 14428.2073 234.6530 -203369.6804 2462.7103 0.0000 0.0000 52223.9232 -109456.1596 300.1316 -161680.0829 -109094.4149 299.3963 -177.0122 -150.3990 762082.0374 -1.4439 -1.4283 PRESSURE: 4525800 184.905 25.5782 -116.412 25.5781 81.7715 57.319 -116.412 57.3184 -106.573 GPRESSURE: 4525800 231.248 -28.4845 -150.879 40.4179 139.035 -42.3612 -111.954 63.7379 -112.889 PRESSAVG: 4525800 54.9388 -76.4693 -6.5506 -76.4692 -19.9453 19.8531 -6.55056 19.853 -3.06644 GPRESSAVG: 4525800 54.0665 -78.3807 -6.95719 -76.4007 -19.6262 18.2344 -6.30307 20.5441 -2.04569 TIMING: 4525800 CPU: 14616.2, 0.00312862/step Wall: 14616.2, 0.00312862/step, 0.412108 hours remaining, 236.281250 MB of memory in use. ENERGY: 4525800 3962.7972 20520.1668 14504.6697 241.0093 -203523.9185 2564.1547 0.0000 0.0000 52200.8765 -109530.2443 299.9992 -161731.1208 -109168.6074 299.6255 53.3676 85.7981 760057.5446 10.6424 10.7982 PRESSURE: 4526000 -94.4713 -115.54 6.22825 -115.54 293.095 -39.8806 6.22786 -39.8797 -43.3565 GPRESSURE: 4526000 11.2978 -191.582 33.5768 -172.12 217.501 12.5972 53.7127 -45.5374 27.7467 PRESSAVG: 4526000 41.3903 -86.4844 -15.2224 -86.4845 -32.273 23.5772 -15.2224 23.5773 -7.9097 GPRESSAVG: 4526000 40.6394 -84.7934 -13.9693 -88.0325 -32.2137 23.7123 -13.4653 23.0365 -6.80877 TIMING: 4526000 CPU: 14616.9, 0.00313174/step Wall: 14616.9, 0.00313174/step, 0.412345 hours remaining, 236.281250 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: 4526000 3929.5578 20514.4778 14501.3228 238.1758 -203229.2215 2374.0293 0.0000 0.0000 52264.8184 -109406.8397 300.3666 -161671.6581 -109038.0449 299.1720 51.7556 85.5152 760473.4430 0.4025 0.5390 PRESSURE: 4526200 350.748 -2.71476 104.057 -2.71535 193.656 -167.611 104.057 -167.611 -69.3284 GPRESSURE: 4526200 317.939 4.36979 147.256 34.6057 245.49 -171.687 167.216 -118.335 -15.0291 PRESSAVG: 4526200 -5.41326 -15.865 58.932 -15.8651 -30.1629 8.03622 58.932 8.03624 -5.4097 GPRESSAVG: 4526200 -6.00111 -14.6861 58.6434 -16.6061 -29.8749 9.86841 58.8138 7.10144 -5.40394 TIMING: 4526200 CPU: 14617.5, 0.00317139/step Wall: 14617.5, 0.00317139/step, 0.41739 hours remaining, 236.281250 MB of memory in use. ENERGY: 4526200 3963.4751 20523.0199 14518.1160 270.2729 -203163.7377 2436.4175 0.0000 0.0000 52032.3938 -109420.0425 299.0309 -161452.4362 -109052.8660 299.1876 158.3588 182.8000 761038.3738 -13.6619 -13.7600 PRESSURE: 4526400 194.781 62.6391 167.314 62.6389 -57.6894 -101.971 167.314 -101.97 -305.514 GPRESSURE: 4526400 209.93 -8.52984 126.464 75.4048 -49.3298 -37.0834 264.515 -238.132 -231.954 PRESSAVG: 4526400 58.3774 -22.4172 -23.4001 -22.4173 -43.8842 18.1871 -23.4001 18.187 21.7839 GPRESSAVG: 4526400 59.2707 -24.1823 -24.203 -19.0333 -44.2275 17.7483 -22.8938 19.5464 21.5292 TIMING: 4526400 CPU: 14618.1, 0.00315979/step Wall: 14618.1, 0.00315979/step, 0.415687 hours remaining, 236.281250 MB of memory in use. ENERGY: 4526400 3964.8479 20453.6155 14477.1911 231.0488 -203580.8640 2666.3474 0.0000 0.0000 52153.6716 -109634.1417 299.7279 -161787.8132 -109280.1474 298.8801 -56.1409 -23.7848 760025.8040 12.0924 12.1908 PRESSURE: 4526600 543.74 37.7962 200.587 37.7968 16.7123 108.486 200.587 108.486 135.833 GPRESSURE: 4526600 527.609 14.5541 175.423 138.524 110.946 56.0444 126.804 203.87 123.632 PRESSAVG: 4526600 -32.3885 -21.3677 7.15503 -21.3677 33.7307 38.0721 7.15505 38.0722 -29.3895 GPRESSAVG: 4526600 -31.7482 -21.1348 7.99272 -23.6004 32.4162 38.7054 6.75498 37.5482 -28.9631 TIMING: 4526600 CPU: 14618.8, 0.00318413/step Wall: 14618.8, 0.00318413/step, 0.418713 hours remaining, 236.281250 MB of memory in use. ENERGY: 4526600 3994.7654 20345.7373 14484.4945 250.6401 -203471.7234 2618.5321 0.0000 0.0000 52059.4878 -109718.0662 299.1866 -161777.5540 -109359.5385 298.5729 232.0953 254.0621 762595.6042 -9.3491 -9.4317 PRESSURE: 4526800 -70.6855 110.488 -19.2995 110.488 -364.145 -320.23 -19.2994 -320.231 -258.521 GPRESSURE: 4526800 -155.518 112.565 -61.3247 54.7029 -183.687 -354.085 84.6923 -332.774 -274.89 PRESSAVG: 4526800 -0.877745 -27.1803 51.8647 -27.1803 14.6136 11.6051 51.8647 11.6051 -1.22393 GPRESSAVG: 4526800 -2.24998 -29.1731 51.4574 -26.8966 16.4536 9.34792 52.1276 10.4577 -1.59584 TIMING: 4526800 CPU: 14619.4, 0.00317936/step Wall: 14619.4, 0.00317936/step, 0.41791 hours remaining, 236.281250 MB of memory in use. ENERGY: 4526800 4026.3189 20394.8309 14390.3918 238.2786 -203522.6109 2646.9585 0.0000 0.0000 51901.2219 -109924.6104 298.2770 -161825.8323 -109560.1989 298.2656 -231.1173 -204.6983 761841.0295 4.1706 4.2026 PRESSURE: 4527000 -325.29 21.376 -168.393 21.3757 91.8983 12.9621 -168.392 12.9618 -5.26117 GPRESSURE: 4527000 -177.307 86.585 -151.623 10.0854 115.672 26.7544 -87.0045 0.732419 -71.7331 PRESSAVG: 4527000 -2.03833 -58.2566 32.4878 -58.2566 -19.3814 17.2803 32.4878 17.2801 4.94217 GPRESSAVG: 4527000 -1.62069 -56.1552 33.1088 -58.4578 -19.1905 18.0645 31.5727 17.1703 4.33314 TIMING: 4527000 CPU: 14620, 0.00313102/step Wall: 14620, 0.00313103/step, 0.411382 hours remaining, 236.281250 MB of memory in use. ENERGY: 4527000 4026.9624 20561.8592 14407.2357 241.4504 -203463.5746 2549.1648 0.0000 0.0000 52017.6835 -109659.2187 298.9463 -161676.9022 -109298.0186 298.7179 -79.5511 -44.4558 761307.2275 -5.4925 -5.4927 PRESSURE: 4527200 230.066 -56.0689 -91.7312 -56.0688 -313.431 179.496 -91.7313 179.496 -169.543 GPRESSURE: 4527200 191.435 -103.332 -151.806 106.547 -192.82 149.244 -160.988 202.511 -176.579 PRESSAVG: 4527200 18.4012 -12.055 -28.2285 -12.055 41.5496 29.4418 -28.2285 29.4418 5.96877 GPRESSAVG: 4527200 17.723 -13.0287 -29.7024 -10.7222 42.2023 30.3761 -27.9396 30.3302 6.64549 TIMING: 4527200 CPU: 14620.6, 0.00315458/step Wall: 14620.6, 0.00315458/step, 0.414302 hours remaining, 236.281250 MB of memory in use. ENERGY: 4527200 3965.5777 20572.6934 14421.5586 252.4264 -203811.9025 2743.6838 0.0000 0.0000 51976.9681 -109878.9944 298.7124 -161855.9626 -109511.2089 298.3894 -84.3027 -59.3213 759699.9460 21.9732 22.1903 PRESSURE: 4527400 -37.4843 -20.239 129.302 -20.2392 -104.998 169.067 129.302 169.066 266.443 GPRESSURE: 4527400 44.848 -100.35 68.3456 51.3709 -64.3842 162.502 71.0817 -10.4779 218.556 PRESSAVG: 4527400 10.3008 -52.8081 -29.8247 -52.8082 -17.5142 28.6933 -29.8247 28.6932 9.10419 GPRESSAVG: 4527400 11.8984 -52.8842 -27.8509 -53.0733 -18.2334 27.9001 -30.2666 28.5471 8.09227 TIMING: 4527400 CPU: 14621.3, 0.00313871/step Wall: 14621.3, 0.00313871/step, 0.412043 hours remaining, 236.281250 MB of memory in use. ENERGY: 4527400 4007.3830 20452.7496 14446.4215 269.3501 -203326.6461 2431.2677 0.0000 0.0000 51832.7520 -109886.7223 297.8835 -161719.4743 -109528.3897 297.8357 41.3205 66.3401 758844.8893 0.6302 0.5858 PRESSURE: 4527600 217.052 191.053 -135.879 191.053 -90.5768 88.763 -135.878 88.7618 490.365 GPRESSURE: 4527600 185.081 240.204 -199.498 51.4521 51.3832 123.689 -105.465 250.385 459.27 PRESSAVG: 4527600 -63.5145 -56.5768 -13.2903 -56.5768 29.9115 16.0681 -13.2903 16.068 -8.27586 GPRESSAVG: 4527600 -64.0282 -55.8029 -13.8389 -56.1939 29.5604 16.7986 -12.5968 19.3744 -7.60635 TIMING: 4527600 CPU: 14621.9, 0.00314031/step Wall: 14621.9, 0.00314031/step, 0.412078 hours remaining, 236.281250 MB of memory in use. ENERGY: 4527600 3987.5361 20370.8057 14467.3370 254.7722 -203564.4169 2504.8041 0.0000 0.0000 51998.8603 -109980.3016 298.8382 -161979.1619 -109615.2573 298.4209 205.6136 231.9112 759237.1935 -13.9596 -14.0247 PRESSURE: 4527800 2.10578 -120.565 -198.367 -120.565 70.8832 208.276 -198.367 208.276 340.381 GPRESSURE: 4527800 43.0498 -133.525 -199.238 -104.717 160.717 194.06 -117.402 262.063 307.021 PRESSAVG: 4527800 -18.3862 -48.9029 -28.2806 -48.9029 11.4099 47.7376 -28.2806 47.7376 -11.7006 GPRESSAVG: 4527800 -19.2139 -47.208 -28.5843 -49.403 12.3289 48.1586 -28.4973 46.0148 -11.8654 TIMING: 4527800 CPU: 14622.5, 0.00312397/step Wall: 14622.5, 0.00312397/step, 0.409761 hours remaining, 236.281250 MB of memory in use. ENERGY: 4527800 3935.9378 20502.5187 14412.0138 267.3389 -203627.3261 2750.2820 0.0000 0.0000 52018.9139 -109740.3209 298.9534 -161759.2349 -109386.8647 298.3771 137.7900 170.2627 759411.8722 -6.2256 -6.2501 PRESSURE: 4528000 -139.322 -27.3656 -204.27 -27.3649 -251.109 133.117 -204.271 133.116 84.7956 GPRESSURE: 4528000 -72.8441 -21.1067 -200.793 -9.61898 -193.253 68.4057 -210.099 30.3026 43.7022 PRESSAVG: 4528000 0.0816969 -43.3686 -51.6401 -43.3686 -1.8826 16.8533 -51.64 16.8533 2.42492 GPRESSAVG: 4528000 1.85505 -47.5324 -50.1498 -43.5644 -3.30008 16.2206 -52.5371 14.7834 1.9979 TIMING: 4528000 CPU: 14623.2, 0.00313331/step Wall: 14623.2, 0.00313331/step, 0.410812 hours remaining, 236.281250 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: 4528000 3977.2447 20493.9580 14511.0240 250.5343 -203030.4267 2222.7341 0.0000 0.0000 52130.9539 -109443.9776 299.5973 -161574.9315 -109085.8252 299.4941 -101.8784 -74.1315 760753.7286 0.2080 0.1843 PRESSURE: 4528200 144.645 136.978 -87.0419 136.977 44.0981 -5.73847 -87.0427 -5.7382 559.278 GPRESSURE: 4528200 257.204 97.0289 32.5256 118.108 1.95278 -28.3727 15.26 19.8148 564.914 PRESSAVG: 4528200 28.6209 -14.7658 -15.0847 -14.7658 -31.3883 53.0884 -15.0847 53.0884 -16.9157 GPRESSAVG: 4528200 28.2881 -10.759 -15.6091 -15.0466 -31.1729 54.392 -13.8157 52.9332 -17.1216 TIMING: 4528200 CPU: 14623.8, 0.00312167/step Wall: 14623.8, 0.00312167/step, 0.409113 hours remaining, 236.281250 MB of memory in use. ENERGY: 4528200 4023.8843 20512.4126 14509.5985 223.9917 -203489.6941 2602.9452 0.0000 0.0000 52148.0233 -109468.8386 299.6954 -161616.8618 -109117.3378 299.6475 249.3403 274.6903 759304.9758 -6.5610 -6.6688 LDB: ============= START OF LOAD BALANCING ============== 14636.2 LDB: ============== END OF LOAD BALANCING =============== 14636.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14636.2 LDB: ============= START OF LOAD BALANCING ============== 14636.5 LDB: Largest compute 7031 load 0.031709 is 16.2% of average load 0.195468 LDB: Average compute 0.004394 is 2.2% of average load 0.195468 LDB: TIME 14636.5 LOAD: AVG 0.195468 MAX 0.214449 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.707 MB LDB: TIME 14636.5 LOAD: AVG 0.195468 MAX 0.214449 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: TIME 14636.5 LOAD: AVG 0.195468 MAX 0.214449 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: ============== END OF LOAD BALANCING =============== 14636.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14636.5 PRESSURE: 4528400 -229.405 -28.8651 51.7427 -28.8645 -253.671 -161.549 51.7437 -161.549 -300.294 GPRESSURE: 4528400 -187.894 30.8181 -6.07203 50.7229 -137.106 -85.5771 147.41 -48.4349 -344.519 PRESSAVG: 4528400 51.5774 -11.3935 -53.9357 -11.3934 -44.0513 -9.10428 -53.9357 -9.10432 12.7389 GPRESSAVG: 4528400 51.4698 -15.0007 -53.8905 -11.4791 -44.1806 -10.1448 -52.9389 -8.51215 13.077 TIMING: 4528400 CPU: 14624.4, 0.00317505/step Wall: 14624.4, 0.00317505/step, 0.415931 hours remaining, 237.382812 MB of memory in use. ENERGY: 4528400 4033.0313 20457.5247 14493.0776 253.8221 -203499.4808 2524.4009 0.0000 0.0000 52397.8942 -109339.7300 301.1314 -161737.6242 -108973.7663 300.0108 -261.1233 -223.1733 761457.6963 6.7550 6.7887 PRESSURE: 4528600 -76.0038 23.9112 -203.242 23.9111 -310.012 -251.644 -203.242 -251.644 216.565 GPRESSURE: 4528600 -58.8775 69.7291 -269.842 80.668 -312.486 -308.299 -109.76 -222.547 279.281 PRESSAVG: 4528600 -5.25679 -3.35204 -45.2095 -3.35207 -11.2686 -40.5259 -45.2094 -40.5259 3.02937 GPRESSAVG: 4528600 -6.09864 -0.752552 -45.4992 -4.2337 -10.9517 -40.9128 -46.2407 -40.2733 3.1638 TIMING: 4528600 CPU: 14625, 0.00313346/step Wall: 14625, 0.00313346/step, 0.410309 hours remaining, 237.843750 MB of memory in use. ENERGY: 4528600 4070.6679 20640.1509 14473.0921 253.6833 -203623.1098 2541.4684 0.0000 0.0000 52173.7511 -109470.2961 299.8433 -161644.0472 -109114.0496 300.0432 -56.4834 -30.6941 762131.4407 -4.4987 -4.6288 PRESSURE: 4528800 -128.686 -23.351 -27.7465 -23.3514 -301.177 9.86999 -27.7469 9.87098 3.36135 GPRESSURE: 4528800 -93.4913 94.6037 -93.9046 12.9521 -347.058 61.6391 39.1179 -67.1206 90.949 PRESSAVG: 4528800 16.4238 -36.2203 -11.6279 -36.2203 -67.597 9.89747 -11.6279 9.89758 -2.33173 GPRESSAVG: 4528800 17.5011 -34.3487 -11.4014 -36.5477 -69.031 10.7624 -9.66494 9.52273 -1.74468 TIMING: 4528800 CPU: 14625.7, 0.00313871/step Wall: 14625.7, 0.00313871/step, 0.410822 hours remaining, 237.843750 MB of memory in use. ENERGY: 4528800 4009.9009 20702.6895 14498.3962 254.4543 -203441.2423 2432.8007 0.0000 0.0000 52138.7846 -109404.2161 299.6423 -161543.0008 -109033.4061 299.5193 -142.1673 -116.5333 761961.3777 -17.8350 -17.7582 PRESSURE: 4529000 214.373 90.1761 -122.074 90.177 -284.27 -207.162 -122.075 -207.163 209.886 GPRESSURE: 4529000 250.408 38.1993 -54.8639 212.864 -220.367 -216.336 -144.387 -146.874 184.107 PRESSAVG: 4529000 37.9243 -27.5772 19.8378 -27.5772 -31.7052 -26.967 19.8378 -26.967 -14.1315 GPRESSAVG: 4529000 37.6 -29.9379 19.6846 -26.1066 -29.7837 -27.5336 18.0512 -27.4489 -15.7182 TIMING: 4529000 CPU: 14626.3, 0.00314288/step Wall: 14626.3, 0.00314288/step, 0.411193 hours remaining, 237.843750 MB of memory in use. ENERGY: 4529000 3964.1055 20694.8813 14416.8509 242.2569 -203185.2564 2472.6032 0.0000 0.0000 52003.8088 -109390.7498 298.8666 -161394.5587 -109027.9044 300.1209 46.6627 71.3826 761175.6024 -2.6375 -2.6340 PRESSURE: 4529200 292.439 11.6052 87.7094 11.6055 165.408 -52.2453 87.7084 -52.2452 -310.55 GPRESSURE: 4529200 275.993 22.2413 111.682 -25.1876 236.899 59.407 66.6988 -0.67126 -277.459 PRESSAVG: 4529200 13.4987 0.0191924 8.33532 0.0192082 11.6769 10.6309 8.33535 10.6309 7.99322 GPRESSAVG: 4529200 13.3142 0.797201 8.62176 -0.281993 10.7873 11.5707 7.8479 11.4174 8.79555 TIMING: 4529200 CPU: 14626.9, 0.00316678/step Wall: 14626.9, 0.00316678/step, 0.414144 hours remaining, 237.843750 MB of memory in use. ENERGY: 4529200 3961.5592 20662.3148 14407.6965 237.2888 -203397.9514 2634.1097 0.0000 0.0000 51967.2723 -109527.7101 298.6566 -161494.9824 -109164.6583 299.4125 49.0988 78.4777 761310.8138 11.0563 10.9657 PRESSURE: 4529400 -75.9647 32.416 3.98632 32.4152 69.5613 11.4941 3.98482 11.4936 -34.4656 GPRESSURE: 4529400 -108.51 107.8 9.08097 -88.7563 130.825 6.46394 36.1391 133.309 18.2847 PRESSAVG: 4529400 26.7195 24.9159 13.6543 24.916 1.70987 14.8622 13.6542 14.8621 -10.9047 GPRESSAVG: 4529400 26.1531 25.1707 14.3176 22.6152 2.07285 13.4583 14.412 15.6203 -11.1142 TIMING: 4529400 CPU: 14627.6, 0.00315453/step Wall: 14627.6, 0.00315453/step, 0.412367 hours remaining, 237.843750 MB of memory in use. ENERGY: 4529400 3974.6017 20641.3237 14497.6729 235.2906 -203286.1278 2406.4425 0.0000 0.0000 52070.5690 -109460.2273 299.2503 -161530.7963 -109104.8558 299.4285 -13.6230 13.5333 759788.3749 5.8415 5.7039 PRESSURE: 4529600 51.5745 -21.9458 69.2416 -21.9459 -302.169 279.847 69.2415 279.847 37.4426 GPRESSURE: 4529600 36.6325 -59.3788 53.8252 137.926 -164.491 243.213 135.454 231.948 4.60197 PRESSAVG: 4529600 29.2548 -17.8539 19.3937 -17.8539 9.92329 59.7826 19.3938 59.7826 -6.29407 GPRESSAVG: 4529600 29.4024 -18.2912 18.3845 -16.1814 9.82696 58.4868 22.0117 59.4065 -6.91036 TIMING: 4529600 CPU: 14628.2, 0.00313121/step Wall: 14628.2, 0.00313121/step, 0.409145 hours remaining, 237.843750 MB of memory in use. ENERGY: 4529600 4018.5762 20487.8878 14379.9707 233.8824 -203205.0443 2281.4584 0.0000 0.0000 52076.4672 -109726.8015 299.2842 -161803.2687 -109364.3930 299.3911 -71.0507 -41.0857 761559.9041 10.9613 10.7730 PRESSURE: 4529800 -260.827 95.8898 255.482 95.8901 -150.823 24.6359 255.481 24.6345 -219.774 GPRESSURE: 4529800 -162.341 29.4394 271.259 67.0397 -178.854 40.6682 330.577 106.719 -184.89 PRESSAVG: 4529800 -18.8612 10.9406 40.0551 10.9405 -0.549713 11.8599 40.0551 11.8599 7.76745 GPRESSAVG: 4529800 -17.5812 9.22136 42.2754 13.9648 -1.48516 12.9187 38.0347 11.2992 7.92212 TIMING: 4529800 CPU: 14628.8, 0.00315079/step Wall: 14628.8, 0.00315079/step, 0.411529 hours remaining, 237.843750 MB of memory in use. ENERGY: 4529800 4022.4649 20615.8958 14438.4463 264.8508 -202867.9073 2265.7588 0.0000 0.0000 51850.5591 -109409.9315 297.9859 -161260.4906 -109052.4558 299.3706 -210.4746 -175.3617 762699.2149 -3.8811 -3.7147 PRESSURE: 4530000 -188.194 26.654 -42.6923 26.6535 17.3018 -6.82786 -42.6928 -6.82975 -308.791 GPRESSURE: 4530000 -113.346 -30.2386 9.47952 -82.9686 -12.6125 -53.3267 1.13514 -12.6913 -278.377 PRESSAVG: 4530000 -103.913 -35.4437 37.3238 -35.4437 23.3527 -22.6493 37.3239 -22.6493 -0.946167 GPRESSAVG: 4530000 -104.879 -34.326 36.5057 -37.1404 25.2743 -22.1351 34.1743 -23.8568 -2.24123 TIMING: 4530000 CPU: 14629.5, 0.00315778/step Wall: 14629.5, 0.00315778/step, 0.412266 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4530000 3957.9766 20888.3301 14451.3115 240.7584 -203533.1461 2480.1912 0.0000 0.0000 52100.6597 -109413.9186 299.4232 -161514.5783 -109059.7586 299.2572 -159.8945 -134.7783 760503.8123 -27.1687 -27.2821 PRESSURE: 4530200 -306.135 54.6127 -209.209 54.6121 -286.674 76.4092 -209.208 76.4095 -412.315 GPRESSURE: 4530200 -349.668 74.5545 -207.246 122.686 -280.131 69.9129 -145.798 37.0468 -286.751 PRESSAVG: 4530200 -16.413 -25.9213 48.7787 -25.9212 -16.1676 8.82146 48.7787 8.82151 -1.84321 GPRESSAVG: 4530200 -15.7917 -25.1587 48.2225 -27.8447 -17.9754 6.2982 53.42 10.2371 -0.239371 TIMING: 4530200 CPU: 14630.1, 0.00316745/step Wall: 14630.1, 0.00316745/step, 0.413352 hours remaining, 237.968750 MB of memory in use. ENERGY: 4530200 3896.4194 20614.1740 14493.9576 226.7647 -203130.3514 2317.3157 0.0000 0.0000 52197.9796 -109383.7404 299.9825 -161581.7200 -109020.3107 299.2289 -335.0413 -305.5165 761074.2109 -11.4746 -11.3355 PRESSURE: 4530400 81.4196 91.06 206.415 91.0604 403.61 140.938 206.416 140.937 -150.318 GPRESSURE: 4530400 149.342 15.3397 199.805 34.7204 372.364 211.65 69.4118 127.654 -110.067 PRESSAVG: 4530400 -19.7434 9.99833 42.9302 9.99833 10.6989 -0.346205 42.9302 -0.346096 1.65892 GPRESSAVG: 4530400 -20.6309 9.12543 44.2031 12.0271 11.3405 1.65299 40.1309 -1.13744 1.90838 TIMING: 4530400 CPU: 14630.7, 0.00312586/step Wall: 14630.7, 0.00312586/step, 0.40775 hours remaining, 237.968750 MB of memory in use. ENERGY: 4530400 4012.5683 20408.9364 14534.6615 253.8095 -203222.5644 2654.4311 0.0000 0.0000 52187.4032 -109170.7544 299.9217 -161358.1576 -108815.1390 299.7851 111.5705 137.2130 760967.5285 -2.4618 -2.4607 PRESSURE: 4530600 -69.7775 -297.024 141.201 -297.024 109.418 87.5899 141.201 87.589 54.5105 GPRESSURE: 4530600 19.6255 -196.626 130.144 -166.653 166.055 107.543 196.547 171.611 -11.3619 PRESSAVG: 4530600 -32.74 -47.9689 -3.90677 -47.9689 3.43563 42.5226 -3.90681 42.5226 -24.7463 GPRESSAVG: 4530600 -32.6935 -46.5706 -4.54335 -47.2141 3.41895 40.6572 -3.06495 44.3965 -25.3568 TIMING: 4530600 CPU: 14631.3, 0.00310934/step Wall: 14631.3, 0.00310934/step, 0.405423 hours remaining, 237.968750 MB of memory in use. ENERGY: 4530600 4028.2802 20653.2859 14489.9073 260.0294 -203153.9906 2468.7451 0.0000 0.0000 52021.5702 -109232.1726 298.9687 -161253.7427 -108872.7901 299.5573 31.3836 58.1063 761562.6520 -18.0169 -18.2105 PRESSURE: 4530800 -18.2073 1.43693 -27.4273 1.43659 -174.632 113.977 -27.4272 113.977 124.625 GPRESSURE: 4530800 49.3699 -100.801 31.5317 -38.8911 -231.55 130.746 24.2437 1.8918 185.526 PRESSAVG: 4530800 -5.93854 -39.1331 -2.15722 -39.1331 -13.133 63.2478 -2.15719 63.2478 0.0903196 GPRESSAVG: 4530800 -6.90743 -40.2739 -1.93856 -40.4818 -13.2501 63.7386 -1.27094 61.7725 1.01612 TIMING: 4530800 CPU: 14632, 0.00311504/step Wall: 14632, 0.00311504/step, 0.405993 hours remaining, 237.968750 MB of memory in use. ENERGY: 4530800 4003.7577 20657.2905 14466.5129 253.1214 -203069.0457 2629.3603 0.0000 0.0000 51724.6499 -109334.3530 297.2623 -161059.0029 -108982.3680 299.3148 -22.7380 1.1151 761876.7342 -6.3271 -6.3805 PRESSURE: 4531000 92.1492 -38.044 -153.5 -38.0432 99.548 -137.805 -153.5 -137.806 -336.415 GPRESSURE: 4531000 130.357 58.3253 -132.283 -3.71529 122.406 -172.682 -259.361 -125.38 -311.086 PRESSAVG: 4531000 -4.98427 -75.2 -3.32144 -75.2 13.7918 41.6136 -3.32144 41.6137 12.4469 GPRESSAVG: 4531000 -4.39045 -73.3028 -4.291 -74.7743 14.3609 40.0564 -4.39327 43.2311 11.5263 TIMING: 4531000 CPU: 14632.6, 0.00311575/step Wall: 14632.6, 0.00311575/step, 0.405913 hours remaining, 237.980469 MB of memory in use. ENERGY: 4531000 4093.0715 20616.4654 14463.0346 253.9491 -203149.7051 2560.2835 0.0000 0.0000 52016.5421 -109146.3588 298.9398 -161162.9009 -108797.6136 299.5433 -48.2392 -19.4409 762272.9843 7.0848 7.1656 PRESSURE: 4531200 -15.2178 -99.2584 63.7296 -99.2579 82.9458 -88.3084 63.73 -88.3083 526.468 GPRESSURE: 4531200 145.977 -42.5188 154.986 -97.2309 102.73 -135.391 14.6179 -1.70594 438.674 PRESSAVG: 4531200 20.2046 -39.3323 -9.45996 -39.3323 13.6572 -6.21208 -9.46007 -6.21215 -37.7572 GPRESSAVG: 4531200 20.1301 -41.0602 -10.2501 -40.0729 13.9344 -4.74339 -9.62453 -6.99994 -37.5027 TIMING: 4531200 CPU: 14633.2, 0.00311142/step Wall: 14633.2, 0.00311142/step, 0.405176 hours remaining, 237.980469 MB of memory in use. ENERGY: 4531200 3966.5501 20546.1178 14550.0931 243.3405 -203420.6138 2712.9573 0.0000 0.0000 52348.7943 -109052.7607 300.8492 -161401.5550 -108689.9421 300.2922 198.0654 229.1269 760310.6221 -1.2985 -1.1461 PRESSURE: 4531400 206.745 -54.822 -59.5244 -54.8212 255.474 165.861 -59.524 165.86 -352.752 GPRESSURE: 4531400 204.768 -58.9238 14.5207 -60.4091 319.842 117.745 -132.461 10.9681 -337.466 PRESSAVG: 4531400 -53.851 -42.7275 4.89143 -42.7275 12.3171 27.3423 4.89143 27.3423 -3.72444 GPRESSAVG: 4531400 -53.802 -44.1402 5.84073 -38.8123 11.52 27.1626 4.58839 26.5694 -3.23168 TIMING: 4531400 CPU: 14633.8, 0.00312848/step Wall: 14633.8, 0.00312848/step, 0.407224 hours remaining, 237.980469 MB of memory in use. ENERGY: 4531400 3959.7558 20722.1826 14494.7481 262.9376 -203102.0706 2511.4590 0.0000 0.0000 52170.5038 -108980.4837 299.8246 -161150.9875 -108617.9292 300.0001 36.4889 62.3815 760845.2187 -15.0861 -15.1712 PRESSURE: 4531600 -6.87336 0.221232 2.64108 0.220025 79.0824 141.374 2.64099 141.374 346.868 GPRESSURE: 4531600 -14.9818 -27.8424 -0.76091 -63.0767 158.243 128.485 -7.1686 116.046 354.98 PRESSAVG: 4531600 -6.68494 3.31303 9.13295 3.31302 25.6369 5.95823 9.13294 5.95824 -0.44845 GPRESSAVG: 4531600 -8.33349 5.10916 10.0905 0.19175 26.8433 6.06745 9.11806 4.8416 -0.589391 TIMING: 4531600 CPU: 14634.5, 0.00313139/step Wall: 14634.5, 0.00313139/step, 0.407428 hours remaining, 237.980469 MB of memory in use. ENERGY: 4531600 3959.8755 20614.3379 14516.9043 241.9635 -203450.7518 2653.9947 0.0000 0.0000 52414.8985 -109048.7774 301.2291 -161463.6760 -108677.3164 300.8182 139.6923 166.0804 761365.5511 6.1678 5.9735 PRESSURE: 4531800 213.669 -90.094 -94.3495 -90.0934 40.6236 -66.1603 -94.3494 -66.1613 299.609 GPRESSURE: 4531800 199.3 35.3253 -33.3921 -144.403 17.2219 -128.08 -152.328 -32.8324 403.895 PRESSAVG: 4531800 55.0797 -29.5703 -26.0955 -29.5703 -85.7936 -23.4227 -26.0956 -23.4227 -7.45049 GPRESSAVG: 4531800 57.281 -30.742 -27.0697 -27.6689 -87.8339 -23.5413 -25.2383 -22.4303 -7.23063 TIMING: 4531800 CPU: 14635.1, 0.00312109/step Wall: 14635.1, 0.00312109/step, 0.405915 hours remaining, 237.980469 MB of memory in use. ENERGY: 4531800 3913.9501 20629.4414 14573.5596 249.4862 -203308.6049 2582.1731 0.0000 0.0000 52229.0227 -109130.9717 300.1609 -161359.9944 -108773.5916 300.6512 184.6339 206.8055 761729.2377 -12.7215 -12.5945 PRESSURE: 4532000 389.785 16.9924 0.327095 16.9926 246.663 -70.4668 0.326762 -70.4674 94.0286 GPRESSURE: 4532000 475.224 63.108 26.8812 -69.6861 320.829 -151.691 -34.286 58.9218 21.5397 PRESSAVG: 4532000 8.7608 -71.3234 -1.46425 -71.3234 -8.70524 -14.8078 -1.46422 -14.8079 0.635064 GPRESSAVG: 4532000 8.90594 -70.2577 -2.37363 -74.7277 -8.77874 -14.325 -2.02266 -12.5187 1.02249 TIMING: 4532000 CPU: 14635.7, 0.00314247/step Wall: 14635.7, 0.00314247/step, 0.408521 hours remaining, 237.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4532000 3945.9729 20408.1758 14500.5842 241.9886 -203395.8702 2705.9672 0.0000 0.0000 52362.4212 -109230.7604 300.9276 -161593.1816 -108869.9361 300.1422 243.4922 272.5311 761646.7276 0.2302 0.3832 PRESSURE: 4532200 101.025 5.21573 -76.0223 5.21607 -112.625 25.7239 -76.0223 25.723 411.103 GPRESSURE: 4532200 147.905 -12.3494 -68.5768 -35.1162 -61.9265 110.005 -58.5526 -136.398 387.836 PRESSAVG: 4532200 32.4641 -20.8325 -45.9091 -20.8326 -5.75831 -13.8028 -45.9092 -13.8027 0.587746 GPRESSAVG: 4532200 32.5497 -20.9714 -46.221 -18.9686 -4.7389 -12.8313 -44.0173 -14.6146 -0.671071 TIMING: 4532200 CPU: 14636.3, 0.00313485/step Wall: 14636.3, 0.00313485/step, 0.407356 hours remaining, 237.980469 MB of memory in use. ENERGY: 4532200 3968.9889 20565.6176 14506.1266 228.6722 -203494.3862 2644.2861 0.0000 0.0000 52295.8502 -109284.8446 300.5450 -161580.6948 -108925.9200 300.0201 133.1679 157.9382 761184.0253 9.0979 9.0466 LDB: ============= START OF LOAD BALANCING ============== 14648.8 LDB: ============== END OF LOAD BALANCING =============== 14648.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14648.8 LDB: ============= START OF LOAD BALANCING ============== 14649.1 LDB: Largest compute 7075 load 0.031175 is 15.9% of average load 0.195498 LDB: Average compute 0.004394 is 2.2% of average load 0.195498 LDB: TIME 14649.1 LOAD: AVG 0.195498 MAX 0.214723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.094 MB LDB: TIME 14649.1 LOAD: AVG 0.195498 MAX 0.214723 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: TIME 14649.1 LOAD: AVG 0.195498 MAX 0.214723 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: ============== END OF LOAD BALANCING =============== 14649.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14649.1 PRESSURE: 4532400 437.973 72.9971 214.935 72.9976 306.55 -141.387 214.934 -141.387 277.271 GPRESSURE: 4532400 516.141 182.764 119.366 43.9866 266.118 -75.5975 319.807 -37.5131 301.006 PRESSAVG: 4532400 45.1926 -12.2761 22.3453 -12.2761 -61.88 20.2073 22.3453 20.2071 -14.8668 GPRESSAVG: 4532400 44.9897 -12.4844 22.7184 -13.5551 -63.1885 19.4886 20.4851 17.9894 -13.8092 TIMING: 4532400 CPU: 14637, 0.00323077/step Wall: 14637, 0.00323077/step, 0.419641 hours remaining, 234.554688 MB of memory in use. ENERGY: 4532400 4006.4774 20625.9557 14509.0494 250.2362 -203118.7780 2470.5370 0.0000 0.0000 52145.6142 -109110.9081 299.6816 -161256.5223 -108751.9024 300.2668 340.5978 361.0885 762188.8179 -10.5181 -10.6693 PRESSURE: 4532600 17.9347 44.6659 296.224 44.6658 -212.323 -157.569 296.225 -157.568 -168.926 GPRESSURE: 4532600 21.4296 61.9007 313.812 60.1226 -245.977 -64.755 246.162 8.47446 -60.1233 PRESSAVG: 4532600 79.6564 25.6404 11.307 25.6404 -56.8233 8.27372 11.3071 8.27373 -20.7863 GPRESSAVG: 4532600 77.81 24.7613 12.245 26.3063 -55.235 8.24154 10.8303 11.6529 -20.5031 TIMING: 4532600 CPU: 14637.6, 0.00314087/step Wall: 14637.6, 0.00314087/step, 0.40779 hours remaining, 234.757812 MB of memory in use. ENERGY: 4532600 3955.9343 20779.3521 14453.2402 260.8380 -203371.4618 2557.9769 0.0000 0.0000 52290.4979 -109073.6225 300.5142 -161364.1203 -108709.4343 300.5018 -121.1047 -94.8902 762009.6980 0.6822 0.6906 PRESSURE: 4532800 18.7569 -209.625 -116.006 -209.625 -20.8601 -191.306 -116.006 -191.305 -273.277 GPRESSURE: 4532800 47.4168 -282.067 -54.3425 -100.233 -3.85441 -193.78 -74.4665 -207.829 -230.055 PRESSAVG: 4532800 17.7125 -9.1104 31.7969 -9.11039 4.66355 1.32807 31.797 1.32802 11.913 GPRESSAVG: 4532800 18.765 -8.78377 34.1561 -8.86828 3.00766 3.10059 29.5318 -1.25226 12.3539 TIMING: 4532800 CPU: 14638.2, 0.00311358/step Wall: 14638.2, 0.00311358/step, 0.404074 hours remaining, 234.898438 MB of memory in use. ENERGY: 4532800 3933.9872 20661.2733 14456.0353 261.7394 -203065.8020 2313.5585 0.0000 0.0000 52437.9558 -109001.2525 301.3617 -161439.2082 -108638.1964 300.9020 -91.7935 -62.1643 760812.7890 11.4297 11.3755 PRESSURE: 4533000 261.04 -176.289 181.641 -176.288 -48.0189 -192.006 181.641 -192.007 -91.686 GPRESSURE: 4533000 313.858 -94.9758 257.971 -65.56 25.1739 -214.058 227.169 -154.661 -135.31 PRESSAVG: 4533000 -19.9707 -45.1265 27.3951 -45.1265 -43.0104 21.6726 27.3951 21.6725 21.997 GPRESSAVG: 4533000 -18.8504 -44.5612 25.6661 -44.9169 -42.9131 20.2671 30.9102 21.8499 21.0409 TIMING: 4533000 CPU: 14638.9, 0.00313021/step Wall: 14638.9, 0.00313021/step, 0.406058 hours remaining, 234.898438 MB of memory in use. ENERGY: 4533000 3957.8866 20636.8612 14620.3183 249.6334 -203248.1572 2456.4419 0.0000 0.0000 52162.1521 -109164.8637 299.7766 -161327.0158 -108801.8797 299.9301 40.4451 67.9074 760413.3313 -13.6614 -13.5742 PRESSURE: 4533200 -65.5661 -70.7604 33.6386 -70.7594 -149.506 199.411 33.6385 199.411 -17.0909 GPRESSURE: 4533200 -36.9955 50.1475 31.0176 -117.998 -145.619 258.478 104.42 155.089 14.9024 PRESSAVG: 4533200 68.9396 -52.3107 21.3343 -52.3107 -70.3571 50.5538 21.3342 50.5538 8.44972 GPRESSAVG: 4533200 67.4128 -52.0062 22.9128 -52.1673 -68.6661 50.1922 19.4184 52.0308 8.12182 TIMING: 4533200 CPU: 14639.5, 0.00312832/step Wall: 14639.5, 0.00312832/step, 0.405639 hours remaining, 234.898438 MB of memory in use. ENERGY: 4533200 3965.6877 20567.1310 14552.8356 253.5575 -203135.3159 2507.1552 0.0000 0.0000 52211.3629 -109077.5860 300.0594 -161288.9489 -108726.2817 300.4587 -77.3876 -55.9042 761813.9383 2.3441 2.2895 PRESSURE: 4533400 -251.808 -231.253 -198.765 -231.252 -115.142 -176.251 -198.765 -176.25 -179.917 GPRESSURE: 4533400 -245.515 -169.831 -162.365 -185.096 -105.316 -65.0164 -182.522 -204.953 -115.938 PRESSAVG: 4533400 57.4862 -36.4648 -63.1853 -36.4648 -64.6735 83.239 -63.1854 83.239 -7.5886 GPRESSAVG: 4533400 59.0119 -36.6602 -64.175 -35.7899 -66.433 81.9786 -62.8078 82.2705 -7.88172 TIMING: 4533400 CPU: 14640.1, 0.00318264/step Wall: 14640.1, 0.00318264/step, 0.412505 hours remaining, 234.898438 MB of memory in use. ENERGY: 4533400 4015.7256 20495.9212 14472.7421 267.8075 -202638.9332 2088.2941 0.0000 0.0000 52339.9666 -108958.4760 300.7985 -161298.4426 -108597.2087 300.5469 -182.2891 -155.5898 761966.9898 -4.9253 -5.1009 PRESSURE: 4533600 40.1035 253.17 -121.349 253.171 -44.6067 -166.107 -121.348 -166.108 -198.226 GPRESSURE: 4533600 17.2624 203.639 -138.849 128.723 43.2865 -33.6861 -95.3234 -146.79 -173.922 PRESSAVG: 4533600 41.0099 -24.1253 -46.2253 -24.1253 -6.32798 19.2512 -46.2252 19.2512 -9.76066 GPRESSAVG: 4533600 38.2513 -22.5072 -47.8343 -25.2893 -4.67015 21.7436 -46.3975 19.1761 -9.1788 TIMING: 4533600 CPU: 14640.7, 0.00313795/step Wall: 14640.7, 0.00313795/step, 0.406539 hours remaining, 234.968750 MB of memory in use. ENERGY: 4533600 4021.8301 20565.9456 14451.6697 247.9723 -203211.0595 2514.1065 0.0000 0.0000 52348.6625 -109060.8728 300.8485 -161409.5353 -108693.0193 300.4898 -67.5766 -37.7909 759531.3173 8.3071 8.1341 PRESSURE: 4533800 -35.345 56.5216 34.5512 56.5212 -35.0351 70.4934 34.5511 70.4931 -144.11 GPRESSURE: 4533800 -14.9574 230.182 106.278 13.2082 8.40903 64.7345 110.461 -22.7521 -132.943 PRESSAVG: 4533800 87.0448 -23.3865 -22.6213 -23.3866 -72.1871 28.4841 -22.6213 28.4841 -10.9185 GPRESSAVG: 4533800 87.4587 -24.7086 -21.0519 -23.9889 -72.5079 28.1267 -20.9596 28.4841 -10.9778 TIMING: 4533800 CPU: 14641.4, 0.00315366/step Wall: 14641.4, 0.00315366/step, 0.408399 hours remaining, 234.968750 MB of memory in use. ENERGY: 4533800 4068.8274 20666.8280 14416.1473 275.4397 -203418.5743 2324.7606 0.0000 0.0000 52338.8947 -109327.6767 300.7923 -161666.5714 -108965.5215 300.6142 -71.4968 -46.4972 758351.3202 1.3131 1.3244 PRESSURE: 4534000 -115.332 -22.357 115.781 -22.3568 -161.336 189.164 115.781 189.165 -495.351 GPRESSURE: 4534000 -144.477 -50.4261 175.706 -89.1359 -106.943 126.931 30.0711 146.874 -430.119 PRESSAVG: 4534000 1.17958 3.58795 -34.4314 3.588 -36.231 71.4056 -34.4313 71.4056 10.2289 GPRESSAVG: 4534000 1.95622 3.25863 -34.2961 6.31936 -36.5085 68.8006 -35.0657 72.9603 10.3017 TIMING: 4534000 CPU: 14642, 0.00313306/step Wall: 14642, 0.00313306/step, 0.405557 hours remaining, 234.968750 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: 4534000 4063.1844 20475.1698 14490.9165 256.6453 -203377.9243 2472.0091 0.0000 0.0000 52354.5153 -109265.4839 300.8821 -161619.9991 -108893.3476 300.0585 -257.3399 -227.1795 759682.6578 -8.2742 -8.0835 PRESSURE: 4534200 -27.7629 -43.2794 -22.9003 -43.2795 -72.6406 13.5171 -22.8999 13.5179 -242.532 GPRESSURE: 4534200 -25.0173 -150.058 -99.6603 -246.041 -14.6112 20.4668 -38.461 65.0089 -222.757 PRESSAVG: 4534200 24.2085 -67.4382 -8.15674 -67.4382 -17.4846 38.4428 -8.15669 38.4429 11.9245 GPRESSAVG: 4534200 24.8206 -67.1125 -8.70793 -71.78 -16.4289 39.3641 -5.75431 38.2929 10.4773 TIMING: 4534200 CPU: 14642.6, 0.00316709/step Wall: 14642.6, 0.00316709/step, 0.409786 hours remaining, 234.968750 MB of memory in use. ENERGY: 4534200 4006.5822 20493.7364 14486.0963 236.4786 -203557.0080 2809.3922 0.0000 0.0000 52047.4895 -109477.2328 299.1176 -161524.7223 -109118.3720 300.0981 -114.3119 -87.4619 760579.2274 6.2161 6.2897 PRESSURE: 4534400 35.1639 138.413 -77.523 138.413 20.5899 135.333 -77.5239 135.333 161.825 GPRESSURE: 4534400 146.192 98.0541 -160.191 83.9933 -68.2623 154.743 -67.3411 173.565 211.798 PRESSAVG: 4534400 62.3856 -45.8281 -11.5599 -45.8281 -76.5291 19.3744 -11.5599 19.3744 7.94772 GPRESSAVG: 4534400 62.1224 -46.9584 -11.3802 -43.5684 -78.0483 20.8513 -14.4258 18.785 9.80568 TIMING: 4534400 CPU: 14643.3, 0.00314606/step Wall: 14643.3, 0.00314606/step, 0.406891 hours remaining, 234.968750 MB of memory in use. ENERGY: 4534400 3927.3181 20694.2427 14490.9698 236.8774 -203697.0507 2522.6159 0.0000 0.0000 52279.6548 -109545.3720 300.4519 -161825.0268 -109175.2888 299.3727 72.5262 96.5758 759793.8956 -2.0653 -2.0401 PRESSURE: 4534600 263.293 -34.6939 -148.345 -34.694 46.0828 33.1614 -148.344 33.1616 108.84 GPRESSURE: 4534600 236.264 -51.1707 -285.046 25.4905 118.818 23.9794 7.45303 205.504 153.69 PRESSAVG: 4534600 25.1963 -57.9323 -65.0364 -57.9323 -3.0852 -3.76162 -65.0364 -3.76158 14.6374 GPRESSAVG: 4534600 25.8425 -56.574 -65.2847 -59.5505 -2.99276 -4.77203 -64.1837 -3.23614 12.8154 TIMING: 4534600 CPU: 14643.9, 0.0031211/step Wall: 14643.9, 0.0031211/step, 0.403489 hours remaining, 234.968750 MB of memory in use. ENERGY: 4534600 3959.5938 20567.3600 14468.3401 252.7511 -203409.9289 2515.9714 0.0000 0.0000 52146.9725 -109498.9400 299.6894 -161645.9125 -109135.9917 299.8313 139.4053 169.5905 760727.0864 12.2495 11.8884 PRESSURE: 4534800 -302.777 35.2207 -55.275 35.2202 -16.0646 -25.3777 -55.2746 -25.3787 -166.852 GPRESSURE: 4534800 -133.978 60.2414 -159.759 83.1987 -61.6246 -47.8746 -15.0202 -193.254 -199.827 PRESSAVG: 4534800 21.1579 -41.6643 -73.5059 -41.6643 -15.0512 64.9177 -73.5058 64.9177 -26.4623 GPRESSAVG: 4534800 21.8868 -43.3772 -70.6184 -38.7806 -16.0733 64.8548 -74.5906 65.7951 -26.2122 TIMING: 4534800 CPU: 14644.5, 0.0031174/step Wall: 14644.5, 0.0031174/step, 0.402837 hours remaining, 234.968750 MB of memory in use. ENERGY: 4534800 4055.6013 20473.1770 14483.9058 252.6603 -203268.3109 2342.8405 0.0000 0.0000 52017.2922 -109642.8339 298.9441 -161660.1260 -109274.4803 298.9296 -161.8980 -131.8096 760381.4080 -6.7852 -6.7995 PRESSURE: 4535000 -301.248 6.77257 172.427 6.77275 -133.481 -182.211 172.427 -182.212 -214.165 GPRESSURE: 4535000 -302.198 -121.924 203.224 110.416 -27.5115 -222.513 162.109 -78.9558 -247.321 PRESSAVG: 4535000 53.2907 -16.582 5.15527 -16.5821 5.77357 38.9897 5.15524 38.9897 -5.58487 GPRESSAVG: 4535000 52.1641 -16.3266 2.58597 -15.6047 7.35043 38.5693 6.88096 39.3692 -5.40518 TIMING: 4535000 CPU: 14645.1, 0.00313606/step Wall: 14645.1, 0.00313606/step, 0.405074 hours remaining, 234.968750 MB of memory in use. ENERGY: 4535000 3996.8703 20719.1462 14452.3027 242.5614 -203075.2942 2319.2193 0.0000 0.0000 51850.6603 -109494.5340 297.9865 -161345.1943 -109141.5190 299.4600 -216.2976 -192.3435 761212.9952 17.8265 18.0365 PRESSURE: 4535200 -138.126 -92.5688 -180.489 -92.568 -3.38605 87.894 -180.491 87.8947 -13.3717 GPRESSURE: 4535200 -170.301 -41.8924 -79.7336 -120.985 131.013 45.9242 -79.3073 108.724 -35.1587 PRESSAVG: 4535200 -21.4459 -23.5735 -23.8948 -23.5735 -36.1587 27.8991 -23.8948 27.899 -5.14337 GPRESSAVG: 4535200 -20.5932 -23.3151 -24.2391 -25.3235 -36.6996 29.5682 -21.9281 25.62 -4.65625 TIMING: 4535200 CPU: 14645.8, 0.00312274/step Wall: 14645.8, 0.00312274/step, 0.403181 hours remaining, 234.968750 MB of memory in use. ENERGY: 4535200 4015.1736 20569.5365 14483.0732 239.9291 -203049.4041 2213.5241 0.0000 0.0000 52203.1523 -109325.0153 300.0122 -161528.1676 -108956.7860 299.4521 -51.6280 -24.8157 759845.1699 -20.9160 -20.6497 PRESSURE: 4535400 -178.328 -80.5955 -115.627 -80.5959 -2.09628 82.2902 -115.628 82.2905 -190.31 GPRESSURE: 4535400 -119.202 -119.296 -76.491 -98.3315 84.205 76.4731 -19.2423 154.444 -227.105 PRESSAVG: 4535400 36.4075 4.06408 16.6961 4.06403 -22.4092 -52.5956 16.6961 -52.5956 22.3934 GPRESSAVG: 4535400 35.5111 3.03979 16.3024 3.60826 -21.9957 -52.9159 12.9431 -52.5776 22.6582 TIMING: 4535400 CPU: 14646.4, 0.00314212/step Wall: 14646.4, 0.00314212/step, 0.405508 hours remaining, 234.968750 MB of memory in use. ENERGY: 4535400 4038.7603 20628.7189 14459.0517 251.4134 -203070.0781 2245.9985 0.0000 0.0000 52056.1280 -109390.0073 299.1673 -161446.1353 -109030.9440 299.6568 -123.5782 -87.3675 761114.6430 12.1306 12.0579 PRESSURE: 4535600 -193.298 -183.3 26.6866 -183.3 -35.6532 333.15 26.6868 333.15 239.639 GPRESSURE: 4535600 -121.885 -38.1479 62.1081 -164.964 -96.3582 312.223 22.8855 369.716 289.129 PRESSAVG: 4535600 44.1233 -32.1311 -59.2355 -32.1311 -16.2008 0.748647 -59.2354 0.748704 -15.8527 GPRESSAVG: 4535600 43.9927 -30.5158 -59.4152 -32.0572 -14.9145 -0.0295001 -55.7652 1.29365 -17.3304 TIMING: 4535600 CPU: 14647, 0.00312778/step Wall: 14647, 0.00312778/step, 0.403484 hours remaining, 234.968750 MB of memory in use. ENERGY: 4535600 3880.6218 20734.5860 14431.9716 243.5124 -202733.6762 2031.0743 0.0000 0.0000 51833.4696 -109578.4405 297.8877 -161411.9101 -109221.5360 299.1449 3.5624 23.6285 760717.2938 4.0233 3.9159 PRESSURE: 4535800 -267.972 26.4708 -126.107 26.471 -67.4714 -111.491 -126.107 -111.49 -55.4012 GPRESSURE: 4535800 -227.84 -68.9633 -18.9653 62.3652 -54.7624 -29.8003 -166.322 -156.535 -19.896 PRESSAVG: 4535800 -15.3698 4.85845 -38.4474 4.85847 17.8423 -5.47268 -38.4473 -5.47267 2.34475 GPRESSAVG: 4535800 -16.0446 5.2887 -38.5987 4.61389 17.8327 -4.40799 -38.7062 -6.41369 3.19615 TIMING: 4535800 CPU: 14647.6, 0.00314907/step Wall: 14647.6, 0.00314907/step, 0.406055 hours remaining, 234.968750 MB of memory in use. ENERGY: 4535800 3988.7039 20429.6322 14494.2117 241.1084 -202880.1990 2029.4380 0.0000 0.0000 52009.8784 -109687.2264 298.9015 -161697.1048 -109319.6789 298.9092 -130.2815 -100.8329 760719.8219 1.6057 1.6614 PRESSURE: 4536000 -180.454 53.6358 3.91341 53.6352 -667.258 -43.8308 3.91299 -43.8292 -94.5878 GPRESSURE: 4536000 -117.856 79.5195 -12.9774 -18.5433 -608.509 -76.0724 53.0962 1.26841 -129.378 PRESSAVG: 4536000 -70.8493 -74.1459 22.8312 -74.1459 -14.26 8.77784 22.8312 8.77786 -14.3199 GPRESSAVG: 4536000 -68.1829 -74.1594 25.6526 -73.3302 -16.7736 6.10043 19.2126 11.4806 -13.928 TIMING: 4536000 CPU: 14648.3, 0.00317634/step Wall: 14648.3, 0.00317634/step, 0.409395 hours remaining, 234.968750 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: 4536000 3987.3974 20524.9725 14463.8684 250.4359 -203226.3743 2283.9682 0.0000 0.0000 51954.9197 -109760.8123 298.5856 -161715.7320 -109395.1081 298.3157 -314.1001 -285.2478 761028.2901 -33.1431 -32.9615 PRESSURE: 4536200 -179.584 -26.2325 66.6815 -26.2331 -403.999 313.645 66.6821 313.645 -37.7298 GPRESSURE: 4536200 -151.21 -131.764 177.169 29.2776 -314.387 264.976 -26.6708 133.672 -55.14 PRESSAVG: 4536200 58.9299 -39.4094 -41.9458 -39.4094 -10.4855 51.5121 -41.9458 51.5121 18.7247 GPRESSAVG: 4536200 58.285 -39.5785 -43.8757 -39.9585 -9.11419 53.2363 -38.2628 49.1755 17.8637 TIMING: 4536200 CPU: 14648.9, 0.0031959/step Wall: 14648.9, 0.0031959/step, 0.411739 hours remaining, 234.968750 MB of memory in use. ENERGY: 4536200 3969.1656 20535.4637 14398.2568 231.8480 -203307.2757 2218.7371 0.0000 0.0000 51970.1152 -109983.6893 298.6730 -161953.8044 -109625.5077 298.5740 -207.1043 -173.5790 761758.2085 22.3897 22.3448 LDB: ============= START OF LOAD BALANCING ============== 14661.3 LDB: ============== END OF LOAD BALANCING =============== 14661.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14661.3 LDB: ============= START OF LOAD BALANCING ============== 14661.7 LDB: Largest compute 7064 load 0.029860 is 15.3% of average load 0.195475 LDB: Average compute 0.004400 is 2.3% of average load 0.195475 LDB: TIME 14661.7 LOAD: AVG 0.195475 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 14661.7 LOAD: AVG 0.195475 MAX 0.215964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 14661.7 LOAD: AVG 0.195475 MAX 0.215964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 14661.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14661.7 PRESSURE: 4536400 -160.205 -124.106 29.4452 -124.106 -77.6528 43.203 29.446 43.2026 -333.238 GPRESSURE: 4536400 -32.8821 20.1101 50.4968 -23.4949 -100.508 24.5179 -52.8024 -95.6338 -335.344 PRESSAVG: 4536400 -26.9017 -64.9264 17.3582 -64.9263 -6.48871 9.95553 17.3583 9.95553 10.6688 GPRESSAVG: 4536400 -25.9263 -64.3726 18.8004 -64.8309 -6.56263 10.702 13.8431 9.57283 9.96162 TIMING: 4536400 CPU: 14649.6, 0.00319073/step Wall: 14649.6, 0.00319073/step, 0.410895 hours remaining, 235.394531 MB of memory in use. ENERGY: 4536400 3994.5783 20463.7780 14461.5200 246.2043 -203553.2401 2552.1590 0.0000 0.0000 51837.7977 -109997.2027 297.9125 -161835.0004 -109648.2550 298.3621 -190.3652 -156.2446 761774.4861 -7.5739 -7.5091 PRESSURE: 4536600 -266.353 18.3178 -134.991 18.318 40.633 -127.822 -134.993 -127.822 -57.7317 GPRESSURE: 4536600 -211.623 -19.2149 -41.2066 59.6025 58.0608 -169.419 -100.226 -60.4192 -46.9677 PRESSAVG: 4536600 -21.5221 -47.5037 31.6978 -47.5037 -42.7519 -82.3981 31.6978 -82.3981 14.203 GPRESSAVG: 4536600 -22.9972 -46.821 30.8856 -47.7474 -42.1878 -84.3774 32.7334 -80.3032 14.5923 TIMING: 4536600 CPU: 14650.2, 0.00312917/step Wall: 14650.2, 0.00312916/step, 0.402793 hours remaining, 235.464844 MB of memory in use. ENERGY: 4536600 3952.8522 20477.9667 14468.8644 246.5183 -203315.8009 2265.0502 0.0000 0.0000 51953.5095 -109951.0397 298.5775 -161904.5492 -109581.0447 298.3045 -94.4839 -66.8433 761000.1375 -16.6903 -16.8642 PRESSURE: 4536800 365.652 260.802 61.6204 260.802 -67.2269 -229.404 61.621 -229.405 -72.7278 GPRESSURE: 4536800 419.505 220.057 -42.9586 332.546 -66.159 -148.045 -8.31811 -127.891 -22.6678 PRESSAVG: 4536800 -42.7504 -78.7766 73.5853 -78.7766 42.163 -16.3827 73.5852 -16.3827 -0.421567 GPRESSAVG: 4536800 -42.1963 -79.4294 73.3007 -79.9845 40.2045 -16.5099 74.0741 -15.57 1.13693 TIMING: 4536800 CPU: 14650.8, 0.00313841/step Wall: 14650.8, 0.00313842/step, 0.403809 hours remaining, 235.464844 MB of memory in use. ENERGY: 4536800 3979.4948 20417.2680 14411.1735 249.3810 -203423.9385 2457.6558 0.0000 0.0000 52072.1330 -109836.8325 299.2593 -161908.9654 -109468.1615 298.8122 75.2324 110.2261 760225.1938 -0.3363 -0.2850 PRESSURE: 4537000 -185.19 32.2587 258.058 32.2581 -343.548 160.162 258.058 160.162 -105.172 GPRESSURE: 4537000 -173.884 76.8774 261.568 187.578 -272.359 212.159 183.101 150.389 -84.9629 PRESSAVG: 4537000 23.6222 5.01271 19.2625 5.01273 14.0257 13.797 19.2625 13.7969 -12.7356 GPRESSAVG: 4537000 23.6301 4.01433 20.3618 5.95873 14.4718 12.1954 17.0493 11.4045 -13.1626 TIMING: 4537000 CPU: 14651.4, 0.00312655/step Wall: 14651.4, 0.00312655/step, 0.40211 hours remaining, 235.667969 MB of memory in use. ENERGY: 4537000 3983.0805 20448.7186 14553.0738 254.5072 -203374.1736 2277.2237 0.0000 0.0000 51788.3805 -110069.1894 297.6285 -161857.5699 -109698.6098 298.6271 -211.3035 -177.0687 759190.6009 8.3041 8.3131 PRESSURE: 4537200 92.6025 -198.041 79.7927 -198.041 172.586 -21.4555 79.7919 -21.4555 72.8593 GPRESSURE: 4537200 64.4156 -100.773 67.0883 -267.625 269.62 50.7564 130.623 14.421 107.275 PRESSAVG: 4537200 7.67537 -20.7838 -38.3173 -20.7838 -18.0791 14.8578 -38.3172 14.8578 6.5552 GPRESSAVG: 4537200 6.73028 -20.4755 -40.2391 -20.888 -17.8371 17.4013 -37.0143 14.622 7.36307 TIMING: 4537200 CPU: 14652.1, 0.00311183/step Wall: 14652.1, 0.00311183/step, 0.400043 hours remaining, 235.871094 MB of memory in use. ENERGY: 4537200 3929.7131 20546.8850 14514.7974 241.5746 -203816.1391 2754.6952 0.0000 0.0000 52011.4645 -109817.0095 298.9106 -161828.4739 -109450.7296 298.7898 112.6827 147.1038 759072.1276 -1.2828 -1.2479 PRESSURE: 4537400 40.2906 -142.625 39.3244 -142.624 -349.93 -133.805 39.3241 -133.805 -399.806 GPRESSURE: 4537400 139.511 -117.752 -22.9112 -133.223 -249.837 -158.561 -123.922 -116.255 -515.777 PRESSAVG: 4537400 37.4631 -11.5316 3.1808 -11.5316 -36.7817 50.7307 3.18081 50.7306 -8.34268 GPRESSAVG: 4537400 38.2041 -12.1719 5.05361 -10.8924 -35.9643 50.588 2.3724 51.2071 -9.63639 TIMING: 4537400 CPU: 14652.7, 0.00312895/step Wall: 14652.7, 0.00312895/step, 0.40207 hours remaining, 235.941406 MB of memory in use. ENERGY: 4537400 4054.6589 20561.9399 14508.4201 255.2129 -203687.2591 2637.4079 0.0000 0.0000 51997.2380 -109672.3815 298.8288 -161669.6195 -109313.3455 298.6606 -236.4815 -208.7008 758302.4941 -2.5537 -2.4655 PRESSURE: 4537600 27.3642 31.5311 44.6673 31.5316 -48.296 -76.2073 44.6673 -76.207 85.6439 GPRESSURE: 4537600 30.746 -85.9234 167.055 96.2267 9.54443 -84.9906 -77.3282 -70.5713 83.2719 PRESSAVG: 4537600 14.6353 -17.6975 35.9013 -17.6975 -29.3156 16.5154 35.9014 16.5154 -3.9991 GPRESSAVG: 4537600 14.2815 -16.1657 35.5812 -18.9444 -29.0868 15.7523 37.1708 15.9294 -4.2427 TIMING: 4537600 CPU: 14653.3, 0.00315515/step Wall: 14653.3, 0.00315515/step, 0.405261 hours remaining, 235.941406 MB of memory in use. ENERGY: 4537600 3978.4501 20515.9267 14511.8062 254.9940 -203160.3220 2268.8626 0.0000 0.0000 51710.8203 -109919.4620 297.1828 -161630.2823 -109565.5111 298.4466 21.5707 41.1874 760347.1694 -6.2264 -6.3493 PRESSURE: 4537800 -78.6105 65.8873 300.894 65.888 231.156 -79.8804 300.894 -79.8798 96.0215 GPRESSURE: 4537800 -37.8378 107.859 269.754 -36.958 242.403 38.8333 133.278 -180.17 155.42 PRESSAVG: 4537800 51.2791 46.7158 -5.73672 46.7158 -41.4627 23.2662 -5.73672 23.2662 -8.06722 GPRESSAVG: 4537800 52.4657 47.1682 -6.6253 46.3212 -42.9545 25.0269 -6.12263 23.4517 -6.67929 TIMING: 4537800 CPU: 14653.9, 0.00313349/step Wall: 14653.9, 0.00313349/step, 0.402305 hours remaining, 235.941406 MB of memory in use. ENERGY: 4537800 4082.4983 20357.2808 14512.2519 261.4780 -203939.9665 2851.6645 0.0000 0.0000 52186.7663 -109688.0266 299.9181 -161874.7930 -109330.3875 298.4636 82.8555 119.9951 758784.9550 0.5831 0.9440 PRESSURE: 4538000 10.9567 230.617 76.3321 230.616 -247.39 29.1616 76.3315 29.1601 337.556 GPRESSURE: 4538000 34.2685 178.399 59.41 304.534 -181.781 134.746 122.94 -51.5683 352.863 PRESSAVG: 4538000 43.9424 -52.3437 36.0607 -52.3437 -11.2681 -6.46466 36.0607 -6.46472 40.4573 GPRESSAVG: 4538000 43.056 -54.7209 35.1473 -51.2656 -9.59976 -8.24825 36.4442 -6.77453 40.2972 TIMING: 4538000 CPU: 14654.6, 0.0031374/step Wall: 14654.6, 0.00313739/step, 0.402632 hours remaining, 235.941406 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: 4538000 3907.1167 20641.8698 14505.2416 257.8537 -203241.4701 2371.7795 0.0000 0.0000 52011.6601 -109545.9488 298.9117 -161557.6088 -109195.4832 299.3618 33.7074 68.4500 759609.9153 24.3772 24.5845 PRESSURE: 4538200 424.171 -103.425 -107.852 -103.426 -237.745 -67.3117 -107.852 -67.3107 43.2847 GPRESSURE: 4538200 449.141 30.6379 -97.7362 -31.9195 -188.275 -150.233 -12.8617 84.91 66.1866 PRESSAVG: 4538200 61.7098 -3.21569 -33.3022 -3.21564 -57.6368 41.7983 -33.3021 41.7983 20.7153 GPRESSAVG: 4538200 61.4012 -2.51213 -32.1464 -1.74169 -56.8317 43.1611 -30.8009 42.8323 20.4042 TIMING: 4538200 CPU: 14655.2, 0.00311166/step Wall: 14655.2, 0.00311166/step, 0.399157 hours remaining, 235.941406 MB of memory in use. ENERGY: 4538200 4037.4351 20577.6020 14491.7815 238.8020 -203221.7753 2393.5167 0.0000 0.0000 52230.7339 -109251.9041 300.1707 -161482.6380 -108883.4890 299.3586 76.5702 109.0175 760414.2622 8.2628 8.3246 PRESSURE: 4538400 150.94 -103.381 -9.66932 -103.381 -203.377 6.44275 -9.66946 6.44194 -22.4357 GPRESSURE: 4538400 134.066 59.6669 -21.5363 -115.917 -153.682 -29.5721 -186.741 -6.92859 32.1915 PRESSAVG: 4538400 63.1293 52.1147 -58.1812 52.1148 -48.4785 59.4947 -58.1811 59.4946 8.55901 GPRESSAVG: 4538400 62.3313 50.8615 -59.338 51.639 -48.8461 58.74 -59.9435 61.6521 9.47351 TIMING: 4538400 CPU: 14655.8, 0.00316109/step Wall: 14655.8, 0.00316109/step, 0.405322 hours remaining, 235.941406 MB of memory in use. ENERGY: 4538400 3994.1584 20623.9190 14458.0090 246.0633 -203202.4592 2404.9280 0.0000 0.0000 52443.8901 -109031.4913 301.3958 -161475.3814 -108660.8538 300.2467 -24.9576 4.1918 759738.2932 7.7366 7.6529 PRESSURE: 4538600 324.292 14.5294 132.882 14.5302 -351.977 213.051 132.883 213.049 94.1773 GPRESSURE: 4538600 228.555 8.68894 63.4326 -60.1951 -210.064 164.722 84.9611 88.7713 139.703 PRESSAVG: 4538600 18.1757 -0.554052 -53.4615 -0.55399 -19.0727 -6.18032 -53.4615 -6.18039 2.14928 GPRESSAVG: 4538600 19.6318 1.48901 -51.0687 -2.14477 -19.4574 -7.01609 -54.2081 -8.61574 1.92096 TIMING: 4538600 CPU: 14656.5, 0.00315635/step Wall: 14656.5, 0.00315635/step, 0.404539 hours remaining, 235.941406 MB of memory in use. ENERGY: 4538600 4050.9185 20476.0068 14439.0970 243.0271 -203084.6965 2498.4143 0.0000 0.0000 52271.5421 -109105.6908 300.4053 -161377.2329 -108741.0276 300.3424 22.1642 52.7314 760843.9418 0.4174 0.6984 PRESSURE: 4538800 38.9354 -232.975 -118.533 -232.974 251.194 126.191 -118.532 126.19 472.177 GPRESSURE: 4538800 57.7827 -164.845 -99.5917 -98.4838 304.656 72.7857 -45.4293 17.3563 469.109 PRESSAVG: 4538800 69.0927 4.29853 15.2796 4.2986 -39.0278 35.4464 15.2796 35.4464 4.8665 GPRESSAVG: 4538800 67.4163 5.30157 13.9469 6.58873 -37.5721 35.4783 15.601 36.2019 5.02159 TIMING: 4538800 CPU: 14657.1, 0.00313822/step Wall: 14657.1, 0.00313822/step, 0.402041 hours remaining, 235.941406 MB of memory in use. ENERGY: 4538800 4005.6448 20678.0309 14484.6073 248.6843 -203242.5174 2604.0661 0.0000 0.0000 52242.6520 -108978.8319 300.2392 -161221.4839 -108617.9990 300.2797 254.1020 277.1826 760628.3832 11.6438 11.6219 PRESSURE: 4539000 -223.939 53.3796 76.9957 53.3806 40.1093 -7.53051 76.9957 -7.53133 -46.2379 GPRESSURE: 4539000 -56.9115 92.0214 62.2221 1.59024 -79.916 -43.6858 66.061 32.2976 1.67713 PRESSAVG: 4539000 -20.532 2.03265 -9.6869 2.0327 6.03567 -14.5039 -9.68688 -14.5039 -28.7867 GPRESSAVG: 4539000 -18.4938 0.558817 -9.24886 -1.36625 4.14167 -14.8663 -6.90397 -13.4003 -28.6509 TIMING: 4539000 CPU: 14657.7, 0.00315239/step Wall: 14657.7, 0.00315239/step, 0.403681 hours remaining, 235.941406 MB of memory in use. ENERGY: 4539000 4094.4342 20552.5010 14523.4989 270.6104 -202925.0670 2313.5064 0.0000 0.0000 52009.3866 -109161.1294 298.8987 -161170.5160 -108801.6610 299.6839 -76.6893 -45.0501 760847.1960 -14.4277 -14.3343 PRESSURE: 4539200 -143.404 118.214 90.7187 118.214 212.23 13.3078 90.7186 13.3071 -59.517 GPRESSURE: 4539200 -164.871 -7.2129 126.095 81.1268 261.246 -41.9596 87.0323 34.409 -6.83745 PRESSAVG: 4539200 36.1785 8.36446 22.481 8.3644 -47.3396 -10.2834 22.4811 -10.2834 10.1438 GPRESSAVG: 4539200 35.6017 9.18081 21.7068 11.2519 -47.355 -8.75873 20.1255 -11.5015 10.4721 TIMING: 4539200 CPU: 14658.3, 0.00314076/step Wall: 14658.3, 0.00314076/step, 0.402017 hours remaining, 235.941406 MB of memory in use. ENERGY: 4539200 4043.4080 20717.0673 14413.8535 240.6315 -203066.2172 2328.0410 0.0000 0.0000 52222.4129 -109100.8031 300.1229 -161323.2160 -108744.2996 300.1725 3.1032 29.8460 759626.6076 -0.3391 -0.4271 PRESSURE: 4539400 -165.835 -68.5155 70.2321 -68.5164 -467.3 -359.572 70.2319 -359.573 23.8748 GPRESSURE: 4539400 -177.949 -153.591 -21.0127 -4.86866 -389.791 -340.56 47.67 -103.224 45.216 PRESSAVG: 4539400 41.0997 -16.855 60.3854 -16.855 -53.2791 37.6949 60.3853 37.6948 -12.4302 GPRESSAVG: 4539400 40.441 -18.2938 61.8188 -18.8299 -51.6982 37.5052 59.9713 38.8981 -13.1088 TIMING: 4539400 CPU: 14659, 0.00314581/step Wall: 14659, 0.00314581/step, 0.402489 hours remaining, 235.941406 MB of memory in use. ENERGY: 4539400 3970.9329 20497.4988 14533.1497 235.7621 -202942.9440 2244.1843 0.0000 0.0000 52297.5917 -109163.8245 300.5550 -161461.4162 -108798.0380 299.8677 -203.0870 -174.1747 760252.7691 -8.2032 -8.1220 PRESSURE: 4539600 -15.8341 -23.0319 -11.6305 -23.0315 93.7693 8.03492 -11.6308 8.0348 179.592 GPRESSURE: 4539600 99.593 137.999 -6.05055 39.0238 97.8524 -58.9489 80.4673 -119.021 156.506 PRESSAVG: 4539600 7.927 -32.2059 61.8013 -32.2059 -25.0405 8.26889 61.8013 8.26893 15.3982 GPRESSAVG: 4539600 8.78683 -29.1601 61.9726 -31.7004 -25.4648 7.18585 60.4417 7.58255 15.139 TIMING: 4539600 CPU: 14659.6, 0.00314361/step Wall: 14659.6, 0.00314361/step, 0.402032 hours remaining, 235.941406 MB of memory in use. ENERGY: 4539600 3952.5929 20693.4861 14452.0646 254.7052 -203332.4023 2548.5677 0.0000 0.0000 52282.6837 -109148.3022 300.4693 -161430.9860 -108781.6568 300.6077 85.8424 117.9838 760644.4260 -0.5718 -0.5130 PRESSURE: 4539800 -123.592 -19.7663 45.7484 -19.7655 -56.2819 85.1486 45.7484 85.1496 241.315 GPRESSURE: 4539800 -57.8379 -34.8704 59.3131 -58.3304 -47.1642 148.581 108.461 107.456 252.482 PRESSAVG: 4539800 52.7661 -52.9382 37.7271 -52.9381 -9.76144 -15.8658 37.7271 -15.8658 0.0103976 GPRESSAVG: 4539800 52.2579 -55.5288 38.4006 -51.5699 -10.7336 -16.5558 39.5808 -15.3264 1.38005 TIMING: 4539800 CPU: 14660.2, 0.00312939/step Wall: 14660.2, 0.00312939/step, 0.40004 hours remaining, 235.941406 MB of memory in use. ENERGY: 4539800 3999.5063 20540.5653 14466.9285 250.2820 -203397.4685 2484.9890 0.0000 0.0000 52374.0083 -109281.1892 300.9941 -161655.1975 -108905.7537 300.0108 20.4802 49.1599 761054.3029 14.3383 14.3015 PRESSURE: 4540000 156.683 57.1177 -190.023 57.1176 63.1589 22.7281 -190.023 22.7279 609.836 GPRESSURE: 4540000 154.586 81.0319 -152.11 35.1739 130.034 38.6256 -264.059 87.5052 623.528 PRESSAVG: 4540000 24.7873 -11.3286 -4.28811 -11.3286 -28.0458 17.6229 -4.28808 17.6229 0.198838 GPRESSAVG: 4540000 27.0398 -12.3991 -6.55972 -10.8022 -29.6058 18.3006 -5.15929 17.9457 -0.105883 TIMING: 4540000 CPU: 14660.9, 0.00312726/step Wall: 14660.9, 0.00312726/step, 0.399594 hours remaining, 235.941406 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: 4540000 3940.6259 20721.2831 14475.8992 264.9219 -203543.3825 2754.8775 0.0000 0.0000 52336.6322 -109049.1426 300.7793 -161385.7748 -108705.5947 300.6152 276.5594 302.7160 759908.5394 -1.0199 -0.8906 PRESSURE: 4540200 157.642 -16.5315 58.8683 -16.5311 -102.834 -147.081 58.8685 -147.081 -36.9064 GPRESSURE: 4540200 182.127 -33.3515 -97.4869 10.6107 -128.863 -153.126 117.869 -19.6875 50.8807 PRESSAVG: 4540200 19.7191 -61.8548 -35.8978 -61.8548 -6.03691 -6.92977 -35.8978 -6.92989 21.2897 GPRESSAVG: 4540200 18.3436 -61.9381 -34.8391 -63.6505 -4.26956 -8.72044 -36.0091 -6.4977 20.6996 TIMING: 4540200 CPU: 14661.5, 0.00312309/step Wall: 14661.5, 0.00312309/step, 0.398889 hours remaining, 235.941406 MB of memory in use. ENERGY: 4540200 3984.3566 20517.2783 14490.8161 258.9580 -202852.5310 2186.7997 0.0000 0.0000 52196.5349 -109217.7875 299.9742 -161414.3224 -108854.4525 300.2546 5.9672 34.7149 760297.3266 11.6573 11.5912 LDB: ============= START OF LOAD BALANCING ============== 14673.9 LDB: ============== END OF LOAD BALANCING =============== 14673.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14673.9 LDB: ============= START OF LOAD BALANCING ============== 14674.2 LDB: Largest compute 7066 load 0.030830 is 15.8% of average load 0.195516 LDB: Average compute 0.004411 is 2.3% of average load 0.195516 LDB: TIME 14674.2 LOAD: AVG 0.195516 MAX 0.22053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.176 MB LDB: TIME 14674.2 LOAD: AVG 0.195516 MAX 0.22053 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: TIME 14674.2 LOAD: AVG 0.195516 MAX 0.216525 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: ============== END OF LOAD BALANCING =============== 14674.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14674.2 PRESSURE: 4540400 94.9641 36.7521 -82.6206 36.7519 -311.6 137.013 -82.6205 137.013 -46.3086 GPRESSURE: 4540400 26.6504 32.8776 -135.402 -49.5178 -206.157 149.942 -3.11056 -36.2082 -8.63297 PRESSAVG: 4540400 33.4963 -29.7524 -0.732031 -29.7524 -36.6605 4.11413 -0.732003 4.11412 16.4044 GPRESSAVG: 4540400 34.5023 -28.2745 -0.383673 -29.912 -36.2975 6.31456 1.4422 3.69971 15.6055 TIMING: 4540400 CPU: 14662.1, 0.00319411/step Wall: 14662.1, 0.00319411/step, 0.407781 hours remaining, 236.937500 MB of memory in use. ENERGY: 4540400 3953.9610 20564.5994 14516.6308 249.7578 -203113.7293 2255.1253 0.0000 0.0000 52208.1553 -109365.4996 300.0410 -161573.6549 -109002.6760 299.8948 -87.6481 -62.7132 759640.2068 4.4134 4.6034 PRESSURE: 4540600 -7.06592 78.5576 49.6419 78.5586 67.6235 125.878 49.6427 125.878 66.0867 GPRESSURE: 4540600 13.3251 43.1083 110.959 -2.72133 118.412 139.955 162.347 21.2753 93.8382 PRESSAVG: 4540600 15.8179 -8.16057 44.6281 -8.1606 -32.8607 0.344758 44.628 0.344847 -7.05542 GPRESSAVG: 4540600 15.4184 -9.52516 44.0986 -8.48093 -33.6206 0.188847 42.8507 -0.040791 -5.71339 TIMING: 4540600 CPU: 14662.7, 0.00310239/step Wall: 14662.7, 0.0031024/step, 0.3959 hours remaining, 236.937500 MB of memory in use. ENERGY: 4540600 3964.4559 20598.1744 14469.1736 235.2497 -203141.6787 2457.3654 0.0000 0.0000 52175.8598 -109241.3999 299.8554 -161417.2597 -108885.2165 299.1659 42.2148 75.1916 759068.6359 -8.0327 -7.9719 PRESSURE: 4540800 -263.621 6.81807 62.1002 6.81914 63.67 -244.57 62.0992 -244.571 51.3221 GPRESSURE: 4540800 -167.482 77.9584 -14.5165 17.7026 -12.7173 -277.025 118.622 -244.492 112.445 PRESSAVG: 4540800 74.8204 4.29772 13.5541 4.29771 -57.0229 21.5342 13.5541 21.5342 -0.312649 GPRESSAVG: 4540800 74.2676 5.5588 12.5467 5.65008 -56.3189 20.9845 13.3962 20.0415 -0.121232 TIMING: 4540800 CPU: 14663.4, 0.00312136/step Wall: 14663.4, 0.00312136/step, 0.398147 hours remaining, 236.937500 MB of memory in use. ENERGY: 4540800 4017.8127 20720.2492 14510.9562 247.9185 -203356.8892 2437.2598 0.0000 0.0000 51884.0411 -109538.6517 298.1783 -161422.6928 -109174.0160 299.0267 -49.5429 -22.5848 758990.8756 5.8283 5.9425 PRESSURE: 4541000 -368.181 45.3526 97.5352 45.3519 -293.973 59.3643 97.5351 59.3643 -105.188 GPRESSURE: 4541000 -227.117 -112.878 123.907 -46.2962 -396.186 1.78099 49.5852 121.947 -54.7025 PRESSAVG: 4541000 20.2994 21.5827 30.5985 21.5827 -65.3158 -2.38207 30.5985 -2.38207 -14.7625 GPRESSAVG: 4541000 21.5855 20.8752 32.0954 22.3898 -67.0334 -1.9568 31.5573 0.135712 -14.1666 TIMING: 4541000 CPU: 14664, 0.00311006/step Wall: 14664, 0.00311006/step, 0.396532 hours remaining, 236.937500 MB of memory in use. ENERGY: 4541000 4077.3918 20549.4804 14497.2908 242.4558 -203176.2418 2194.9563 0.0000 0.0000 51951.9671 -109662.6995 298.5687 -161614.6667 -109299.4434 298.9056 -255.7807 -226.0020 761618.6395 -19.9263 -19.8715 PRESSURE: 4541200 -206.993 101.822 -113.878 101.823 -366.295 69.4111 -113.877 69.4114 232.22 GPRESSURE: 4541200 -189.212 79.244 -72.781 196.322 -268.463 64.2588 8.78929 -11.9257 198.352 PRESSAVG: 4541200 38.5048 -32.7384 43.0736 -32.7384 -54.7225 11.1372 43.0736 11.1372 11.382 GPRESSAVG: 4541200 38.0543 -31.2841 40.9386 -34.9505 -52.2622 10.8769 41.2526 9.53185 9.65527 TIMING: 4541200 CPU: 14664.6, 0.00311119/step Wall: 14664.6, 0.00311119/step, 0.396504 hours remaining, 236.937500 MB of memory in use. ENERGY: 4541200 3968.7344 20479.1641 14446.5508 279.7040 -203484.0818 2432.6508 0.0000 0.0000 52297.1184 -109580.1594 300.5523 -161877.2778 -109210.4436 299.5296 -113.6893 -86.4411 757539.6520 -1.6119 -1.5175 PRESSURE: 4541400 170.436 -255.857 -39.1007 -255.857 -89.0313 215.509 -39.1016 215.508 -113.878 GPRESSURE: 4541400 98.2969 -163.117 11.8116 -147.628 -5.46602 173.205 -66.5857 232.359 -36.2086 PRESSAVG: 4541400 23.7534 -17.8163 30.0628 -17.8163 -7.3451 -23.9294 30.0628 -23.9292 -24.8244 GPRESSAVG: 4541400 23.0151 -19.1897 32.49 -15.8153 -8.97015 -21.6024 28.5668 -23.1433 -23.2847 TIMING: 4541400 CPU: 14665.2, 0.00311739/step Wall: 14665.2, 0.00311739/step, 0.397121 hours remaining, 236.937500 MB of memory in use. ENERGY: 4541400 3986.9212 20625.6070 14500.1863 245.1025 -203517.6524 2476.9503 0.0000 0.0000 52051.3695 -109631.5156 299.1399 -161682.8851 -109274.6547 299.4766 -10.8245 18.8741 758489.6888 -2.8054 -3.0799 PRESSURE: 4541600 -194.414 216.703 1.78228 216.703 -161.667 -26.1158 1.78227 -26.1161 134.439 GPRESSURE: 4541600 -140.49 183.393 -13.8867 198.338 -145.848 -32.8573 0.0804587 -112.906 161.999 PRESSAVG: 4541600 59.4995 -25.0884 8.37259 -25.0884 -77.2195 -10.8179 8.37253 -10.8179 -1.70027 GPRESSAVG: 4541600 58.5903 -25.0684 8.9473 -26.2886 -76.3533 -12.7382 10.7097 -11.5244 -1.6185 TIMING: 4541600 CPU: 14665.9, 0.00312187/step Wall: 14665.9, 0.00312187/step, 0.397518 hours remaining, 236.937500 MB of memory in use. ENERGY: 4541600 3927.6166 20389.3812 14503.4752 258.7202 -203068.8048 2400.2205 0.0000 0.0000 51997.7792 -109591.6118 298.8320 -161589.3911 -109230.2793 299.0175 -73.8806 -41.4466 761580.6810 -6.4734 -6.4605 PRESSURE: 4541800 -28.8841 174.495 -56.314 174.495 -88.3093 -176.759 -56.3139 -176.76 -56.2861 GPRESSURE: 4541800 38.9832 167.647 -59.2939 134.637 -120.067 -66.5204 -79.1176 -103.881 -6.34257 PRESSAVG: 4541800 16.7636 -26.9688 -23.9517 -26.9688 -18.9179 -13.1755 -23.9518 -13.1755 15.7489 GPRESSAVG: 4541800 18.2773 -27.9398 -25.597 -25.0682 -19.2485 -12.2509 -21.5303 -13.8845 14.7608 TIMING: 4541800 CPU: 14666.5, 0.00310019/step Wall: 14666.5, 0.00310019/step, 0.394585 hours remaining, 236.937500 MB of memory in use. ENERGY: 4541800 3948.5451 20681.6543 14582.1121 247.8151 -203656.8261 2582.4408 0.0000 0.0000 52017.0848 -109597.1740 298.9429 -161614.2588 -109236.0242 299.1360 -57.8265 -29.1420 761160.2915 4.5315 4.5965 PRESSURE: 4542000 -178.964 -5.12165 -209.718 -5.12212 -413.513 -73.0374 -209.718 -73.0366 -177.824 GPRESSURE: 4542000 -115.24 28.9249 -188.586 -26.2667 -342.774 -131.362 -378.193 -36.5091 -224.081 PRESSAVG: 4542000 66.304 -7.22557 -45.0725 -7.22565 -74.0968 -24.611 -45.0725 -24.611 -12.5179 GPRESSAVG: 4542000 66.3235 -4.49363 -45.5302 -9.78948 -74.5851 -24.8757 -48.6353 -24.1159 -12.5181 TIMING: 4542000 CPU: 14667.1, 0.00312316/step Wall: 14667.1, 0.00312316/step, 0.397335 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4542000 3896.3669 20572.9295 14450.9606 243.7140 -203187.9211 2458.4510 0.0000 0.0000 52105.8356 -109459.6634 299.4530 -161565.4990 -109101.1231 298.8134 -256.7669 -227.3650 762906.3810 -6.7702 -6.9266 PRESSURE: 4542200 -103.895 169.423 -45.6732 169.424 -224.738 38.5264 -45.6747 38.5263 170.139 GPRESSURE: 4542200 -133.224 148.717 66.5821 51.7858 -99.7366 65.0234 72.363 -38.3737 142.878 PRESSAVG: 4542200 49.2603 35.3729 -39.6565 35.373 -46.0486 -30.0613 -39.6565 -30.0613 -11.6604 GPRESSAVG: 4542200 47.606 33.9171 -39.4623 35.1895 -45.5117 -29.1162 -36.9192 -28.6034 -10.529 TIMING: 4542200 CPU: 14667.7, 0.00313439/step Wall: 14667.7, 0.00313439/step, 0.39859 hours remaining, 236.937500 MB of memory in use. ENERGY: 4542200 4099.2587 20643.0088 14546.5848 235.8209 -203432.0165 2734.8874 0.0000 0.0000 51709.6857 -109462.7703 297.1763 -161172.4560 -109109.3896 299.3087 -52.8315 -30.0274 761008.1486 -2.8162 -2.8116 PRESSURE: 4542400 -277.587 25.8929 199.087 25.8926 96.756 -194.993 199.086 -194.994 -165.331 GPRESSURE: 4542400 -222.328 71.6929 137.576 -41.4005 116.085 -187.864 102.428 -136.959 -143.599 PRESSAVG: 4542400 -2.5032 34.3911 -40.7793 34.3911 -3.52573 2.77814 -40.7794 2.77813 3.34396 GPRESSAVG: 4542400 0.0805007 34.5361 -40.9358 36.8586 -4.11128 3.71258 -43.5958 1.60507 1.41414 TIMING: 4542400 CPU: 14668.4, 0.0031461/step Wall: 14668.4, 0.0031461/step, 0.399905 hours remaining, 236.937500 MB of memory in use. ENERGY: 4542400 3961.0309 20398.6887 14577.4517 229.4681 -203501.1163 2553.2781 0.0000 0.0000 52050.7226 -109730.4763 299.1362 -161781.1988 -109364.3603 298.5753 -115.3871 -83.2805 761695.3318 -0.8950 -0.8722 PRESSURE: 4542600 -234.253 48.6275 -56.8035 48.6276 -319.409 -30.7503 -56.803 -30.75 -198.832 GPRESSURE: 4542600 -182.529 -144.006 29.21 125.934 -311.428 -102.902 98.6844 -185.18 -182.994 PRESSAVG: 4542600 35.0198 0.201819 -3.4273 0.201796 -25.0087 -4.32629 -3.42722 -4.32633 -13.9401 GPRESSAVG: 4542600 33.826 0.497319 -2.79122 0.412396 -24.5791 -7.32123 -4.16385 -4.01746 -12.9758 TIMING: 4542600 CPU: 14669, 0.00314582/step Wall: 14669, 0.00314582/step, 0.399694 hours remaining, 236.937500 MB of memory in use. ENERGY: 4542600 3938.4616 20394.3510 14520.4257 250.4140 -203310.7980 2441.9569 0.0000 0.0000 52049.5253 -109715.6635 299.1293 -161765.1888 -109345.0563 298.2610 -250.8315 -225.6504 762152.1668 -1.3097 -1.2430 PRESSURE: 4542800 -8.21245 279.057 -1.06527 279.057 260.532 -121.505 -1.06467 -121.505 21.3741 GPRESSURE: 4542800 54.9745 209.269 -17.7591 63.601 210.914 -20.9375 -30.1152 -152.282 69.5077 PRESSAVG: 4542800 -0.492936 22.333 25.7467 22.333 -28.0662 7.51211 25.7467 7.51213 31.39 GPRESSAVG: 4542800 -0.443823 24.0005 25.6242 21.9125 -28.9602 10.2653 27.7653 6.59928 31.7505 TIMING: 4542800 CPU: 14669.6, 0.0031333/step Wall: 14669.6, 0.0031333/step, 0.397929 hours remaining, 236.937500 MB of memory in use. ENERGY: 4542800 3963.4713 20508.0080 14563.3648 235.2742 -203456.8267 2536.3013 0.0000 0.0000 51884.3635 -109766.0436 298.1802 -161650.4071 -109402.0952 297.7678 91.2311 111.7986 761737.8731 0.9436 0.7822 PRESSURE: 4543000 179.996 246.789 53.151 246.789 221.144 111.497 53.1521 111.497 -275.992 GPRESSURE: 4543000 193.813 239.678 11.3256 308.301 230.978 126.919 -64.3284 84.7706 -221.2 PRESSAVG: 4543000 14.493 9.43018 11.6444 9.43015 28.7142 -30.3049 11.6445 -30.3049 -38.2054 GPRESSAVG: 4543000 14.2492 4.01052 12.6944 10.5808 29.6143 -31.0282 10.3441 -30.9738 -38.827 TIMING: 4543000 CPU: 14670.2, 0.00314081/step Wall: 14670.2, 0.00314081/step, 0.398709 hours remaining, 236.937500 MB of memory in use. ENERGY: 4543000 3975.0353 20428.3375 14488.3594 238.7391 -203340.2024 2615.5255 0.0000 0.0000 51999.9986 -109594.2069 298.8447 -161594.2055 -109219.0295 298.2487 41.7160 67.8637 762436.1158 1.6673 1.6788 PRESSURE: 4543200 -247.364 26.1576 212.169 26.1572 -429.02 -74.0489 212.17 -74.0494 86.234 GPRESSURE: 4543200 -256.923 102.633 155.713 -17.2617 -331.388 -101.528 134.423 10.9148 73.1118 PRESSAVG: 4543200 47.9383 30.5134 -51.4378 30.5133 -33.4488 32.9077 -51.4378 32.9076 10.9054 GPRESSAVG: 4543200 47.529 32.4761 -52.4332 28.5934 -33.7218 31.0705 -50.7243 35.6315 11.4937 TIMING: 4543200 CPU: 14670.9, 0.00310728/step Wall: 14670.9, 0.00310728/step, 0.39428 hours remaining, 237.007812 MB of memory in use. ENERGY: 4543200 4028.4809 20500.9937 14586.1590 231.6822 -203263.0726 2485.5638 0.0000 0.0000 51765.7987 -109664.3942 297.4988 -161430.1929 -109310.0561 298.3728 -196.7167 -171.7331 762771.8607 8.4650 8.4337 PRESSURE: 4543400 -132.543 -144.305 62.8129 -144.305 0.794059 -58.058 62.8137 -58.0574 75.0888 GPRESSURE: 4543400 -127.623 -229.266 82.2963 -125.293 10.8983 -48.5651 -46.0507 -81.9473 171.843 PRESSAVG: 4543400 -8.92519 -8.0092 74.6663 -8.00914 10.0001 8.9316 74.6663 8.93162 -12.1822 GPRESSAVG: 4543400 -9.45944 -7.61378 73.383 -7.02376 9.96497 11.1297 76.9798 5.12226 -11.418 TIMING: 4543400 CPU: 14671.5, 0.00311058/step Wall: 14671.5, 0.00311058/step, 0.394525 hours remaining, 237.007812 MB of memory in use. ENERGY: 4543400 4021.0849 20409.1979 14500.8914 252.9638 -203531.4489 2647.1485 0.0000 0.0000 51840.0713 -109860.0912 297.9256 -161700.1625 -109498.1405 297.8837 -18.8866 18.3729 761638.8447 -3.7024 -3.6375 PRESSURE: 4543600 0.294665 257.797 263.346 257.797 15.1093 177.482 263.346 177.483 -6.66741 GPRESSURE: 4543600 6.5878 193.302 278.682 286.735 1.71541 212.816 103.781 15.7845 88.9245 PRESSAVG: 4543600 22.4623 22.492 9.29609 22.492 -29.1328 -20.1538 9.29607 -20.1537 19.9935 GPRESSAVG: 4543600 23.1441 24.8642 9.95521 21.4334 -30.4576 -20.8306 5.84494 -18.7333 20.1318 TIMING: 4543600 CPU: 14672.1, 0.00312309/step Wall: 14672.1, 0.00312309/step, 0.395938 hours remaining, 237.007812 MB of memory in use. ENERGY: 4543600 4000.1403 20432.1021 14518.3446 238.8369 -203511.2496 2646.5697 0.0000 0.0000 51878.1550 -109797.1010 298.1445 -161675.2561 -109435.6679 298.5617 2.9122 32.4092 761323.4837 4.4410 4.2728 PRESSURE: 4543800 249.059 70.0508 -236.594 70.0505 -183.993 -180.962 -236.593 -180.962 -181.161 GPRESSURE: 4543800 173.263 92.3402 -229.946 87.485 -47.5736 -129.918 -94.3666 -260.913 -143.099 PRESSAVG: 4543800 7.21823 -23.6206 0.916036 -23.6207 -37.7871 -18.6056 0.915997 -18.6056 4.09709 GPRESSAVG: 4543800 6.65647 -25.287 1.45449 -24.2696 -37.6219 -17.5932 1.93619 -19.9875 3.83303 TIMING: 4543800 CPU: 14672.7, 0.0031206/step Wall: 14672.7, 0.0031206/step, 0.39545 hours remaining, 237.007812 MB of memory in use. ENERGY: 4543800 4033.2242 20523.0745 14474.8581 246.9421 -204062.4209 3120.2780 0.0000 0.0000 51843.7450 -109820.2990 297.9467 -161664.0440 -109445.2263 298.5772 -38.6981 -5.8032 761997.8725 -8.8239 -9.0441 PRESSURE: 4544000 129.26 -124.791 32.1019 -124.79 -9.0121 -120.401 32.1021 -120.403 89.37 GPRESSURE: 4544000 95.4442 -174.835 29.9245 -187.337 39.2438 -174.559 72.9174 3.33067 148.842 PRESSAVG: 4544000 28.7941 -17.7263 1.97982 -17.7264 -80.0716 -73.9871 1.97987 -73.9871 27.7307 GPRESSAVG: 4544000 29.8885 -15.9179 1.11418 -17.8492 -79.4453 -75.3508 3.99248 -70.3385 26.4658 TIMING: 4544000 CPU: 14673.4, 0.0031251/step Wall: 14673.4, 0.0031251/step, 0.395846 hours remaining, 237.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4544000 4057.3637 20327.5642 14448.1546 239.9820 -204166.2982 2992.1693 0.0000 0.0000 52160.1956 -109940.8688 299.7654 -162101.0644 -109567.2584 298.4665 69.8726 94.5099 760413.1517 -7.8489 -7.6970 PRESSURE: 4544200 -309.904 105.749 211.109 105.748 139.051 12.0043 211.108 12.0044 -274.823 GPRESSURE: 4544200 -221.4 69.894 193.601 79.3601 88.2132 3.56975 198.045 -93.8438 -205.432 PRESSAVG: 4544200 65.6022 3.67334 2.31264 3.67337 -78.5686 -33.0672 2.31263 -33.0673 -17.7713 GPRESSAVG: 4544200 66.7366 2.23607 2.32655 5.71549 -79.0921 -33.794 1.54914 -34.0659 -17.6067 TIMING: 4544200 CPU: 14674, 0.00314465/step Wall: 14674, 0.00314465/step, 0.398147 hours remaining, 237.007812 MB of memory in use. ENERGY: 4544200 4045.3544 20483.4100 14543.3917 268.1990 -203927.8887 2490.7422 0.0000 0.0000 52236.3908 -109860.4005 300.2033 -162096.7913 -109492.3715 298.4113 -148.5586 -112.8729 760083.9776 -10.2459 -9.9874 LDB: ============= START OF LOAD BALANCING ============== 14686.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14686.4 LDB: =============== DONE WITH MIGRATION ================ 14686.4 LDB: ============= START OF LOAD BALANCING ============== 14686.7 LDB: Largest compute 7075 load 0.030006 is 15.4% of average load 0.195473 LDB: Average compute 0.004405 is 2.3% of average load 0.195473 LDB: TIME 14686.7 LOAD: AVG 0.195473 MAX 0.213034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 14686.7 LOAD: AVG 0.195473 MAX 0.213034 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 14686.7 LOAD: AVG 0.195473 MAX 0.213034 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 14686.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14686.7 PRESSURE: 4544400 -124.706 -23.2466 104.958 -23.2468 -217.046 34.8172 104.957 34.8179 -48.0753 GPRESSURE: 4544400 -99.3688 -127.395 117.008 15.1997 -152.263 70.2775 173.164 56.9395 -43.7934 PRESSAVG: 4544400 54.548 -9.11181 42.5349 -9.11185 -5.82134 35.8924 42.5349 35.8923 11.6323 GPRESSAVG: 4544400 54.4927 -10.9928 41.8887 -10.9684 -5.38695 36.4986 40.4 36.0021 11.1417 TIMING: 4544400 CPU: 14674.6, 0.00320318/step Wall: 14674.6, 0.00320318/step, 0.40538 hours remaining, 235.710938 MB of memory in use. ENERGY: 4544400 4024.0452 20446.5899 14531.1202 244.3976 -203694.3670 2469.4839 0.0000 0.0000 51996.1824 -109982.5478 298.8228 -161978.7302 -109610.5108 299.0781 -129.9422 -98.4751 759068.8216 20.1196 20.0825 PRESSURE: 4544600 -291.812 -91.4436 22.773 -91.4435 92.6993 -81.3837 22.7731 -81.384 -244.156 GPRESSURE: 4544600 -247.34 -30.9338 -0.469917 -192.41 47.799 -71.8878 161.315 -29.6005 -177.125 PRESSAVG: 4544600 -16.3847 -55.92 35.07 -55.92 2.47246 4.16572 35.07 4.16572 -2.1793 GPRESSAVG: 4544600 -16.8542 -52.7174 35.5198 -53.2537 2.774 3.63086 37.0348 4.05758 -2.03778 TIMING: 4544600 CPU: 14675.2, 0.00310552/step Wall: 14675.2, 0.00310552/step, 0.392849 hours remaining, 235.710938 MB of memory in use. ENERGY: 4544600 3911.2077 20747.2544 14552.8338 233.6014 -203746.8659 2450.8522 0.0000 0.0000 51975.7521 -109875.3643 298.7054 -161851.1164 -109517.4763 298.6682 -147.7562 -125.5556 761401.3457 -5.3638 -5.3727 PRESSURE: 4544800 -244.824 -135.849 137.678 -135.85 -366.481 -99.2098 137.678 -99.2109 -194.994 GPRESSURE: 4544800 -247.268 -156.106 198.826 -157.568 -312.056 -118.018 103.864 16.6052 -164.508 PRESSAVG: 4544800 6.53632 16.001 30.5585 16.001 -19.5368 -53.7977 30.5584 -53.7976 17.713 GPRESSAVG: 4544800 7.69163 13.0452 31.4598 14.3589 -20.816 -52.6834 29.407 -53.1027 18.2325 TIMING: 4544800 CPU: 14675.9, 0.00310523/step Wall: 14675.9, 0.00310523/step, 0.392638 hours remaining, 235.710938 MB of memory in use. ENERGY: 4544800 3860.7790 20485.2176 14498.5190 240.2972 -203381.4854 2219.7153 0.0000 0.0000 52004.8027 -110072.1544 298.8723 -162076.9571 -109701.6750 298.8171 -268.7665 -241.2773 760168.1570 1.5709 1.7027 PRESSURE: 4545000 480.14 -90.2683 92.247 -90.2673 116.152 175.02 92.2475 175.021 -66.1426 GPRESSURE: 4545000 418.311 9.9655 77.7958 -78.6927 248.343 155.564 132.117 224.15 -46.415 PRESSAVG: 4545000 13.8166 -13.5626 60.7414 -13.5626 22.5447 -42.2656 60.7414 -42.2655 3.78924 GPRESSAVG: 4545000 12.516 -11.1658 61.3263 -14.0365 22.5253 -43.7741 59.5049 -42.114 4.54194 TIMING: 4545000 CPU: 14676.5, 0.00310697/step Wall: 14676.5, 0.00310697/step, 0.392686 hours remaining, 235.710938 MB of memory in use. ENERGY: 4545000 3914.2029 20514.3119 14517.0641 253.4429 -204018.0560 2736.3147 0.0000 0.0000 52043.1772 -110039.5423 299.0929 -162082.7195 -109665.6743 298.0376 176.7165 206.7465 758462.8530 13.3835 13.1944 PRESSURE: 4545200 169.506 142.288 -36.4015 142.288 128.04 -183.368 -36.4022 -183.368 -28.6394 GPRESSURE: 4545200 151.438 115.548 13.9565 135.205 208.836 -145.504 5.19461 -174.076 -16.5735 PRESSAVG: 4545200 4.77691 11.3899 2.32941 11.3899 13.068 20.0085 2.32942 20.0085 14.0366 GPRESSAVG: 4545200 5.01807 9.90449 0.781318 12.7997 12.5696 21.6532 2.55043 18.491 13.8023 TIMING: 4545200 CPU: 14677.1, 0.00311871/step Wall: 14677.1, 0.00311871/step, 0.393997 hours remaining, 235.710938 MB of memory in use. ENERGY: 4545200 3939.4129 20695.3990 14507.7491 240.0362 -203727.5893 2626.5870 0.0000 0.0000 51772.3890 -109946.0161 297.5366 -161718.4051 -109596.5366 298.6733 89.6355 114.5668 760923.6397 10.6272 10.4633 PRESSURE: 4545400 -296.818 -9.92897 -5.29916 -9.92902 -165.253 32.0965 -5.29925 32.0954 -24.8671 GPRESSURE: 4545400 -329.16 39.8157 123.684 -10.4127 -83.0243 -37.9439 -26.7475 16.8987 2.90787 PRESSAVG: 4545400 -28.3307 -34.776 -35.5738 -34.7759 47.6124 -1.59775 -35.5738 -1.59776 -2.59594 GPRESSAVG: 4545400 -28.986 -34.8686 -34.9306 -34.9313 47.7892 -0.52704 -32.7641 -0.973171 -2.51925 TIMING: 4545400 CPU: 14677.7, 0.00311313/step Wall: 14677.7, 0.00311313/step, 0.393119 hours remaining, 235.781250 MB of memory in use. ENERGY: 4545400 3996.3635 20541.3662 14477.0073 245.9248 -203476.7759 2323.0716 0.0000 0.0000 51825.2564 -110067.7860 297.8405 -161893.0425 -109704.1831 298.4837 -162.3126 -136.4254 760092.6600 5.5619 5.4280 PRESSURE: 4545600 398.718 62.0449 1.06416 62.0449 17.0277 -200.099 1.06453 -200.098 1.13953 GPRESSURE: 4545600 377.002 171.463 39.5329 78.9573 -5.18131 -195.46 44.5129 -218.933 145.488 PRESSAVG: 4545600 31.1196 -46.7684 -16.7758 -46.7684 -7.5974 -15.568 -16.7758 -15.568 8.60182 GPRESSAVG: 4545600 31.3902 -46.0829 -16.5717 -47.042 -8.35706 -15.1549 -19.1093 -16.6726 9.14602 TIMING: 4545600 CPU: 14678.4, 0.00310143/step Wall: 14678.4, 0.00310143/step, 0.39147 hours remaining, 235.781250 MB of memory in use. ENERGY: 4545600 3972.8729 20570.5737 14458.0654 246.1959 -203740.0186 2612.9184 0.0000 0.0000 51754.6550 -110124.7373 297.4347 -161879.3923 -109767.5560 298.2101 138.9617 172.4362 758880.7160 10.7080 10.7264 PRESSURE: 4545800 120.995 -36.4452 113.527 -36.4459 -99.8939 -163.342 113.528 -163.342 -187.916 GPRESSURE: 4545800 187.992 -137.223 95.626 -82.5024 -75.3392 -207.829 99.8354 -82.0037 -196.901 PRESSAVG: 4545800 59.4913 -11.6222 7.79635 -11.6221 -90.2019 27.8598 7.79638 27.8597 7.92268 GPRESSAVG: 4545800 58.9987 -11.9304 6.59724 -13.2049 -88.7834 25.6898 8.33093 28.4935 7.17857 TIMING: 4545800 CPU: 14679, 0.003093/step Wall: 14679, 0.003093/step, 0.390233 hours remaining, 235.781250 MB of memory in use. ENERGY: 4545800 3998.2892 20635.1464 14432.9384 230.0570 -203725.0621 2598.3473 0.0000 0.0000 51757.7745 -110072.5093 297.4526 -161830.2838 -109721.8671 298.2315 -55.6048 -28.0829 760350.7449 -7.5959 -7.5354 PRESSURE: 4546000 348.59 -84.9113 177.17 -84.9106 -145.557 164.761 177.172 164.761 -177.035 GPRESSURE: 4546000 368.368 6.46337 168.837 -190.151 -37.9111 228.414 15.0458 213.078 -235.106 PRESSAVG: 4546000 81.8037 -66.16 17.3409 -66.16 -24.9775 -52.8048 17.3409 -52.8048 0.362991 GPRESSAVG: 4546000 82.6777 -63.9725 17.9324 -66.3735 -25.769 -51.4213 18.3913 -51.7274 -0.14658 TIMING: 4546000 CPU: 14679.6, 0.00311649/step Wall: 14679.6, 0.00311649/step, 0.393024 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4546000 4032.9505 20404.6533 14494.1535 251.5914 -204356.6893 3051.2254 0.0000 0.0000 51922.2355 -110199.8797 298.3978 -162122.1152 -109831.2607 297.9823 8.6661 31.7836 759247.5233 19.0631 18.9207 PRESSURE: 4546200 162.981 -308.805 7.42641 -308.805 66.5307 -120.904 7.42694 -120.905 -525.525 GPRESSURE: 4546200 69.7134 -214.834 36.0657 -238.706 103.962 -84.3224 -0.676695 -162.358 -374.859 PRESSAVG: 4546200 55.6746 42.2152 -24.9146 42.2153 -33.1545 -7.03443 -24.9146 -7.03444 -8.52978 GPRESSAVG: 4546200 54.6284 41.9416 -26.1387 42.3416 -33.1373 -9.67225 -26.1295 -6.04061 -7.37939 TIMING: 4546200 CPU: 14680.2, 0.00309465/step Wall: 14680.2, 0.00309465/step, 0.390098 hours remaining, 235.980469 MB of memory in use. ENERGY: 4546200 4010.2732 20559.6384 14483.4230 235.4788 -203698.7843 2547.1819 0.0000 0.0000 51851.7437 -110011.0451 297.9927 -161862.7889 -109652.1340 297.9933 -98.6714 -67.0614 759545.1291 4.6634 4.7039 PRESSURE: 4546400 -209.725 170.743 -152.2 170.743 -91.2828 -360.65 -152.2 -360.649 -121.979 GPRESSURE: 4546400 -222.312 225.56 -157.896 101.893 -10.3706 -379.81 -76.4483 -386.119 -124.905 PRESSAVG: 4546400 44.6373 -50.7439 -9.52006 -50.744 -15.4079 -94.7665 -9.52005 -94.7664 14.8573 GPRESSAVG: 4546400 44.395 -49.5978 -8.19652 -53.2616 -14.7816 -92.7841 -9.18795 -95.8347 14.258 TIMING: 4546400 CPU: 14680.8, 0.00313713/step Wall: 14680.8, 0.00313713/step, 0.395279 hours remaining, 235.980469 MB of memory in use. ENERGY: 4546400 3988.5327 20531.5093 14542.2125 252.4269 -203607.8307 2286.3277 0.0000 0.0000 52111.9446 -109894.8770 299.4881 -162006.8216 -109525.7403 298.1180 -140.9955 -119.1961 760437.8526 14.6956 14.6238 PRESSURE: 4546600 -400.059 79.9574 71.8594 79.9575 14.419 261.893 71.8589 261.893 -308.585 GPRESSURE: 4546600 -368.727 -37.7624 58.51 72.059 42.5782 303.071 106.984 144.36 -275.234 PRESSAVG: 4546600 -21.4545 -6.25671 -19.6782 -6.25671 -9.16429 -80.6565 -19.6782 -80.6565 -12.3315 GPRESSAVG: 4546600 -20.8257 -7.57535 -18.9999 -3.396 -9.51083 -80.9497 -21.3011 -81.8698 -12.2705 TIMING: 4546600 CPU: 14681.5, 0.00311348/step Wall: 14681.5, 0.00311348/step, 0.392126 hours remaining, 235.980469 MB of memory in use. ENERGY: 4546600 4033.6485 20590.1943 14538.8437 257.2764 -203822.4145 2529.9387 0.0000 0.0000 51971.3020 -109901.2109 298.6798 -161872.5129 -109545.9892 298.5479 -231.4083 -200.4608 759497.9134 -14.3168 -14.2023 PRESSURE: 4546800 151.442 -92.2295 140.712 -92.2286 -161.897 224.003 140.712 224.004 -23.1565 GPRESSURE: 4546800 122.529 -45.3284 104.904 -0.981917 -73.4719 194.471 75.0951 329.277 9.02635 PRESSAVG: 4546800 2.00698 -39.0955 20.9026 -39.0955 -40.2468 -44.6441 20.9026 -44.644 26.0106 GPRESSAVG: 4546800 4.19708 -39.2963 19.6996 -37.8137 -41.1311 -45.6198 22.6133 -45.2929 25.499 TIMING: 4546800 CPU: 14682.1, 0.00311111/step Wall: 14682.1, 0.00311111/step, 0.391654 hours remaining, 235.980469 MB of memory in use. ENERGY: 4546800 4031.5203 20481.1486 14512.8933 259.8487 -203478.9930 2338.2637 0.0000 0.0000 51957.0054 -109898.3131 298.5976 -161855.3185 -109536.5128 298.3875 -11.2041 19.3612 759409.9179 -4.0764 -3.8117 PRESSURE: 4547000 55.5374 132.32 128.607 132.319 -268.461 -144.625 128.608 -144.625 -83.1904 GPRESSURE: 4547000 95.8268 90.5769 92.5284 -1.37222 -284.668 -179.212 46.0375 -157.097 -47.0503 PRESSAVG: 4547000 38.548 -27.632 5.12858 -27.632 -74.308 -7.11 5.12857 -7.11001 1.3044 GPRESSAVG: 4547000 36.4128 -26.8199 4.4821 -29.7243 -73.479 -5.54983 6.59216 -4.7212 2.4944 TIMING: 4547000 CPU: 14682.7, 0.00312277/step Wall: 14682.7, 0.00312277/step, 0.392948 hours remaining, 235.980469 MB of memory in use. ENERGY: 4547000 4045.6485 20527.8058 14509.0923 270.1662 -203334.4773 2164.9512 0.0000 0.0000 52150.8532 -109665.9601 299.7117 -161816.8133 -109301.0329 299.1490 -98.7047 -78.6306 761516.1658 -11.4852 -11.5239 PRESSURE: 4547200 817.064 -37.0729 64.9953 -37.0737 96.4508 -98.183 64.9959 -98.182 159.713 GPRESSURE: 4547200 837.058 51.4526 71.3415 -42.4089 218.192 -120.395 100.786 9.67246 114.36 PRESSAVG: 4547200 90.1199 27.1424 41.8492 27.1424 -62.1066 -27.0132 41.8491 -27.0132 30.6781 GPRESSAVG: 4547200 90.0581 25.668 44.4083 28.5239 -61.8554 -28.4337 38.2155 -26.7593 30.7591 TIMING: 4547200 CPU: 14683.3, 0.00311723/step Wall: 14683.3, 0.00311723/step, 0.392079 hours remaining, 235.980469 MB of memory in use. ENERGY: 4547200 3963.8672 20509.1357 14493.8370 245.9875 -203890.4779 3087.2730 0.0000 0.0000 51952.3856 -109637.9919 298.5711 -161590.3775 -109285.1439 299.2606 357.7427 389.8702 760304.9926 19.5638 19.6539 PRESSURE: 4547400 268.28 38.1564 -101.351 38.1562 -33.5281 -159.401 -101.352 -159.402 -290.795 GPRESSURE: 4547400 294.151 -17.5915 -74.1821 95.7326 -66.7231 -158.127 -63.7509 -104.344 -217.015 PRESSAVG: 4547400 36.5577 -15.4896 -16.49 -15.4896 -62.491 -44.3469 -16.49 -44.3468 8.751 GPRESSAVG: 4547400 37.5721 -15.785 -18.4924 -15.4477 -62.4656 -42.8301 -13.7742 -45.0901 7.98202 TIMING: 4547400 CPU: 14684, 0.00310598/step Wall: 14684, 0.00310598/step, 0.39049 hours remaining, 235.980469 MB of memory in use. ENERGY: 4547400 3957.8654 20626.2645 14462.5469 245.1741 -203658.3775 2705.0130 0.0000 0.0000 52033.7326 -109627.7808 299.0386 -161661.5135 -109274.3987 298.8910 -18.6809 3.4709 759604.0503 -5.7274 -5.6372 PRESSURE: 4547600 -426.98 282.006 234.551 282.006 -471.372 -5.65761 234.55 -5.65719 -193.121 GPRESSURE: 4547600 -336.944 127.108 175.661 273.651 -403.117 -28.0119 104.574 -127.457 -241.957 PRESSAVG: 4547600 28.6011 5.80915 -19.2971 5.8091 -39.6988 17.9432 -19.2972 17.9432 -6.09828 GPRESSAVG: 4547600 29.9557 5.82875 -17.7649 4.02867 -40.4825 17.0615 -21.4156 18.4063 -6.3588 TIMING: 4547600 CPU: 14684.6, 0.00310651/step Wall: 14684.6, 0.00310651/step, 0.390384 hours remaining, 235.980469 MB of memory in use. ENERGY: 4547600 3941.3664 20662.4560 14497.7322 254.5679 -202965.6276 2023.9419 0.0000 0.0000 51913.1030 -109672.4602 298.3453 -161585.5632 -109307.4845 299.5185 -363.8244 -327.3394 760772.9867 -5.7320 -5.6286 PRESSURE: 4547800 272.054 96.9003 -56.4663 96.9012 -72.2866 83.3322 -56.4652 83.3322 452.85 GPRESSURE: 4547800 305.454 223.236 -81.8603 35.8331 64.8725 69.3984 -11.9759 228.516 364.347 PRESSAVG: 4547800 40.1664 11.2047 22.8959 11.2047 -46.782 -10.1569 22.8959 -10.1569 6.41158 GPRESSAVG: 4547800 39.4651 11.5564 22.4913 11.9726 -45.5716 -8.10382 25.0422 -10.5266 6.39752 TIMING: 4547800 CPU: 14685.2, 0.00313975/step Wall: 14685.2, 0.00313975/step, 0.394388 hours remaining, 235.980469 MB of memory in use. ENERGY: 4547800 3950.7507 20466.6386 14402.7023 244.9929 -203634.7482 2710.3612 0.0000 0.0000 52187.8344 -109671.4682 299.9242 -161859.3026 -109310.5259 298.8702 217.5390 244.8911 760544.0290 -0.0680 0.0970 PRESSURE: 4548000 -71.8701 -194.236 -65.8005 -194.236 6.64421 -172.011 -65.8011 -172.011 -72.2114 GPRESSURE: 4548000 25.9522 -298.131 -52.4044 -131.087 -9.49398 -183.585 -168.685 43.6559 -65.2792 PRESSAVG: 4548000 78.7284 -14.4074 3.75827 -14.4073 -51.5649 -50.6914 3.7583 -50.6914 -4.0981 GPRESSAVG: 4548000 78.5089 -14.8886 3.55738 -13.9703 -51.9224 -51.1265 2.11025 -50.2747 -3.04626 TIMING: 4548000 CPU: 14685.8, 0.003133/step Wall: 14685.8, 0.003133/step, 0.393365 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4548000 3999.5467 20626.8793 14451.0679 234.5233 -203268.3438 2398.9889 0.0000 0.0000 52008.6001 -109548.7377 298.8941 -161557.3378 -109189.7915 299.0792 -45.8125 -16.2737 761015.9276 7.6885 7.8467 PRESSURE: 4548200 -1.43516 136.988 -73.4551 136.988 -347.223 -62.9184 -73.4557 -62.9197 -59.0858 GPRESSURE: 4548200 69.495 41.9783 -124.331 159.746 -312.424 -15.9173 -52.7637 -6.13578 -75.2362 PRESSAVG: 4548200 16.5886 14.2699 47.364 14.27 -51.5306 33.4125 47.364 33.4125 -8.98882 GPRESSAVG: 4548200 15.4402 16.3581 47.1119 12.3364 -50.6173 33.0831 46.7719 35.9132 -8.90091 TIMING: 4548200 CPU: 14686.5, 0.00313055/step Wall: 14686.5, 0.00313055/step, 0.392884 hours remaining, 235.980469 MB of memory in use. ENERGY: 4548200 4096.3362 20422.3121 14456.0473 247.2589 -203047.2390 2414.0331 0.0000 0.0000 52059.2278 -109352.0237 299.1851 -161411.2515 -108992.5298 299.3299 -135.9147 -106.0550 760468.3202 -14.6436 -14.6926 LDB: ============= START OF LOAD BALANCING ============== 14698.9 LDB: ============== END OF LOAD BALANCING =============== 14698.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14698.9 LDB: ============= START OF LOAD BALANCING ============== 14699.2 LDB: Largest compute 7025 load 0.033454 is 17.1% of average load 0.195420 LDB: Average compute 0.004425 is 2.3% of average load 0.195420 LDB: TIME 14699.2 LOAD: AVG 0.19542 MAX 0.215003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.773 MB LDB: TIME 14699.2 LOAD: AVG 0.19542 MAX 0.215003 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: TIME 14699.2 LOAD: AVG 0.19542 MAX 0.215003 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: ============== END OF LOAD BALANCING =============== 14699.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14699.2 PRESSURE: 4548400 257.858 219.766 -120.155 219.766 146.655 74.706 -120.155 74.7068 132.884 GPRESSURE: 4548400 365.091 137.696 -96.0291 239.305 101.056 130.559 -32.0147 -33.4986 169.006 PRESSAVG: 4548400 17.8672 57.3919 34.6736 57.3919 8.49787 1.94286 34.6736 1.94291 -1.53828 GPRESSAVG: 4548400 18.8012 55.405 36.3346 59.9138 8.0703 1.59311 35.6736 -0.922952 -2.10913 TIMING: 4548400 CPU: 14687.1, 0.00323222/step Wall: 14687.1, 0.00323222/step, 0.405464 hours remaining, 234.113281 MB of memory in use. ENERGY: 4548400 4009.3017 20415.5033 14457.5854 242.2405 -203216.1531 2775.8511 0.0000 0.0000 52174.6775 -109140.9936 299.8486 -161315.6711 -108772.4552 299.7456 179.1324 211.7179 761957.3842 8.2756 8.2541 PRESSURE: 4548600 -50.2237 -246.454 119.833 -246.453 -186.178 5.88849 119.832 5.88895 -435.312 GPRESSURE: 4548600 -115.491 -217.057 187.436 -208.99 -155.804 22.815 -87.0316 24.7712 -318.246 PRESSAVG: 4548600 -7.42434 -12.7108 23.8066 -12.7108 -38.9204 -59.8245 23.8065 -59.8245 -4.29469 GPRESSAVG: 4548600 -7.85138 -12.7732 22.8807 -13.5309 -38.3453 -60.2662 23.4488 -58.4326 -4.45161 TIMING: 4548600 CPU: 14687.7, 0.00315229/step Wall: 14687.7, 0.00315228/step, 0.395262 hours remaining, 234.113281 MB of memory in use. ENERGY: 4548600 3984.9794 20541.3050 14457.1532 239.7938 -203272.9726 2477.1509 0.0000 0.0000 52354.2333 -109218.3569 300.8805 -161572.5903 -108845.6611 299.8560 -223.9046 -196.5138 762438.5784 -16.8798 -16.8828 PRESSURE: 4548800 -74.1792 98.1956 149.203 98.1945 -309.753 -55.7542 149.203 -55.755 30.2241 GPRESSURE: 4548800 -77.5741 144.476 123.998 176.488 -228.43 -46.399 201.262 -54.3337 28.1466 PRESSAVG: 4548800 30.3266 13.1043 50.6247 13.1042 -53.2105 -34.752 50.6247 -34.752 -2.43829 GPRESSAVG: 4548800 30.2415 12.6204 50.6086 14.912 -53.7898 -36.0853 49.7816 -36.6895 -1.82657 TIMING: 4548800 CPU: 14688.4, 0.00314384/step Wall: 14688.4, 0.00314384/step, 0.394027 hours remaining, 234.113281 MB of memory in use. ENERGY: 4548800 4021.7510 20463.3807 14583.7828 229.7315 -203344.1629 2552.5449 0.0000 0.0000 52248.3681 -109244.6040 300.2721 -161492.9721 -108872.5009 299.4796 -117.9028 -92.6191 763566.3205 -8.4407 -8.4583 PRESSURE: 4549000 -271.474 -1.98749 53.9537 -1.98789 -313.021 -53.8638 53.9537 -53.864 -208.895 GPRESSURE: 4549000 -195.748 69.2208 177.488 1.18775 -273.482 -80.4247 -12.543 15.2628 -255.724 PRESSAVG: 4549000 0.285934 13.3689 29.8825 13.3689 -10.3197 7.39548 29.8825 7.39537 -9.90176 GPRESSAVG: 4549000 0.827162 17.5678 30.7928 12.2722 -9.61784 8.85776 31.1322 8.54509 -10.9455 TIMING: 4549000 CPU: 14689, 0.00314008/step Wall: 14689, 0.00314008/step, 0.393382 hours remaining, 234.183594 MB of memory in use. ENERGY: 4549000 4017.7743 20447.0899 14509.9738 257.1004 -202566.5594 2182.6917 0.0000 0.0000 51986.1643 -109165.7649 298.7652 -161151.9293 -108803.8990 300.3087 -264.4635 -241.6515 762332.7005 -6.6452 -6.5787 PRESSURE: 4549200 39.603 76.5106 -57.5772 76.511 138.085 9.1362 -57.5772 9.13657 189.027 GPRESSURE: 4549200 45.6208 10.8481 -28.0391 65.0737 184.703 -61.2892 20.8611 1.70728 222.769 PRESSAVG: 4549200 14.8614 -10.1208 -35.2828 -10.1208 -15.7733 -3.64307 -35.2828 -3.64302 -22.5265 GPRESSAVG: 4549200 14.6639 -11.162 -36.5569 -10.5794 -16.7553 -3.13315 -35.7512 -4.51075 -21.5643 TIMING: 4549200 CPU: 14689.6, 0.00316263/step Wall: 14689.6, 0.00316263/step, 0.396032 hours remaining, 234.183594 MB of memory in use. ENERGY: 4549200 3926.8775 20485.0856 14401.5136 245.2505 -202897.9469 2392.9257 0.0000 0.0000 52184.1156 -109262.1784 299.9028 -161446.2939 -108905.7182 299.9961 122.2386 151.0311 760266.8872 -7.8128 -7.8852 PRESSURE: 4549400 -148.759 -117.397 -25.1567 -117.396 93.3455 99.9041 -25.1565 99.9032 -99.6541 GPRESSURE: 4549400 -86.0379 -133.304 -73.2297 -155.662 159.01 77.2019 -69.4862 204.731 -143.666 PRESSAVG: 4549400 23.2515 -11.2267 10.6053 -11.2269 -27.5539 -53.105 10.6053 -53.1051 -5.27736 GPRESSAVG: 4549400 23.4064 -10.4958 10.8463 -11.6136 -27.8292 -52.8465 10.6961 -53.9346 -5.74722 TIMING: 4549400 CPU: 14690.3, 0.00312205/step Wall: 14690.3, 0.00312205/step, 0.390776 hours remaining, 234.183594 MB of memory in use. ENERGY: 4549400 4045.2545 20424.6663 14486.8589 237.7210 -202627.8153 2153.8395 0.0000 0.0000 51986.6176 -109292.8575 298.7678 -161279.4751 -108927.4798 299.6037 -51.6892 -23.5644 760486.2434 -3.1933 -3.3900 PRESSURE: 4549600 112.801 52.2916 10.1163 52.2909 -372.896 -237.323 10.116 -237.322 39.2719 GPRESSURE: 4549600 82.6019 47.3889 -42.2996 -51.8171 -208.322 -292.963 171.505 -208.15 -25.5084 PRESSAVG: 4549600 -9.25927 -62.3456 25.2814 -62.3456 -17.1891 42.8264 25.2814 42.8264 -12.9702 GPRESSAVG: 4549600 -10.8828 -63.9332 25.6966 -62.0773 -16.647 41.6892 25.8985 43.6525 -12.1257 TIMING: 4549600 CPU: 14690.9, 0.003135/step Wall: 14690.9, 0.003135/step, 0.392223 hours remaining, 234.183594 MB of memory in use. ENERGY: 4549600 3899.9947 20348.6457 14443.1220 240.7056 -202833.9389 2392.3487 0.0000 0.0000 52236.5515 -109272.5708 300.2042 -161509.1223 -108895.2946 299.4627 -73.6078 -50.4094 763205.3369 -13.1395 -13.2185 PRESSURE: 4549800 101.622 -75.4087 105.395 -75.4091 -271.261 -63.5574 105.395 -63.5574 -147.895 GPRESSURE: 4549800 21.5632 -110.564 94.6412 -73.6219 -153.054 -93.4477 5.99919 -10.9739 -85.1977 PRESSAVG: 4549800 51.9948 -27.2542 15.6121 -27.2541 -11.6927 -42.1878 15.6121 -42.1879 6.82832 GPRESSAVG: 4549800 51.9975 -27.2501 15.625 -27.296 -12.0411 -41.8664 15.2627 -41.7348 6.58624 TIMING: 4549800 CPU: 14691.5, 0.00313677/step Wall: 14691.5, 0.00313677/step, 0.392271 hours remaining, 234.183594 MB of memory in use. ENERGY: 4549800 3939.1058 20448.0259 14468.7262 243.6790 -202750.9123 2175.7136 0.0000 0.0000 52004.3546 -109471.3072 298.8697 -161475.6618 -109134.9474 298.8609 -105.8446 -72.2294 760848.3707 15.7101 15.5142 PRESSURE: 4550000 -351.062 -197.559 78.1968 -197.558 -281.264 -69.0922 78.1969 -69.0927 -21.0036 GPRESSURE: 4550000 -288.074 -228.521 103.083 -232.127 -242.565 -26.6782 13.8423 -126.364 -28.3258 PRESSAVG: 4550000 -10.8856 -2.22902 69.1694 -2.22899 -9.64342 -14.4659 69.1694 -14.4658 25.0808 GPRESSAVG: 4550000 -8.81706 -4.26609 68.5462 -1.39889 -11.1877 -13.3995 70.7549 -15.7927 24.4585 TIMING: 4550000 CPU: 14692.1, 0.00312895/step Wall: 14692.1, 0.00312895/step, 0.391119 hours remaining, 234.183594 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: 4550000 3928.5157 20406.7738 14517.7619 250.0223 -202923.8415 2533.2190 0.0000 0.0000 52015.4240 -109272.1249 298.9334 -161287.5488 -108903.0718 299.5666 -217.7765 -186.3216 761705.1843 1.5173 1.4846 PRESSURE: 4550200 243.512 4.6756 -484.277 4.67535 189.959 -343.241 -484.277 -343.242 -112.015 GPRESSURE: 4550200 325.337 -85.12 -497.922 54.612 101.949 -327.372 -390.932 -227.83 -37.0561 PRESSAVG: 4550200 -0.192333 -35.407 -16.3568 -35.4071 37.961 -45.244 -16.3569 -45.244 7.54312 GPRESSAVG: 4550200 -0.966213 -33.8988 -16.3557 -36.2807 38.313 -46.2772 -16.6151 -44.5876 8.39783 TIMING: 4550200 CPU: 14692.8, 0.00312374/step Wall: 14692.8, 0.00312374/step, 0.390294 hours remaining, 234.183594 MB of memory in use. ENERGY: 4550200 3996.7184 20378.3990 14512.0752 246.9905 -202774.9368 2412.2688 0.0000 0.0000 52169.8948 -109058.5901 299.8211 -161228.4849 -108695.8096 299.6463 107.1518 130.0767 761259.7048 15.1039 15.2482 PRESSURE: 4550400 231.368 141.279 347.635 141.279 -347.826 -15.5905 347.635 -15.5918 -375.363 GPRESSURE: 4550400 144.011 85.2582 287.083 203.152 -236.893 -33.4759 401.13 39.9196 -318.281 PRESSAVG: 4550400 2.32496 -0.257683 58.3907 -0.257713 7.51222 -21.6211 58.3907 -21.6211 -30.451 GPRESSAVG: 4550400 2.20333 0.485525 59.2653 0.745618 8.16698 -21.5378 57.1839 -20.5839 -31.0259 TIMING: 4550400 CPU: 14693.4, 0.00312969/step Wall: 14693.4, 0.00312969/step, 0.390864 hours remaining, 234.183594 MB of memory in use. ENERGY: 4550400 3915.7002 20311.4829 14512.7152 246.0563 -202775.9572 2338.5177 0.0000 0.0000 52068.6681 -109382.8167 299.2394 -161451.4849 -109028.4686 299.4990 -163.9405 -137.0542 761114.6755 -6.8713 -6.8852 PRESSURE: 4550600 -138.148 70.4038 148.528 70.4036 -68.2181 -78.5132 148.528 -78.5124 -391.685 GPRESSURE: 4550600 -123.931 74.5579 79.1883 4.17185 -27.4315 -35.9737 43.7837 -120.995 -362.732 PRESSAVG: 4550600 36.1075 21.8766 36.8949 21.8766 -18.7081 0.104321 36.8949 0.104427 -9.44122 GPRESSAVG: 4550600 34.7835 23.0993 36.977 19.6554 -19.2373 0.0543334 36.698 0.141039 -8.16446 TIMING: 4550600 CPU: 14694, 0.00314491/step Wall: 14694, 0.00314491/step, 0.392589 hours remaining, 234.183594 MB of memory in use. ENERGY: 4550600 4005.1773 20437.5952 14465.3537 233.1980 -202481.1001 2068.4351 0.0000 0.0000 52172.4549 -109098.8859 299.8358 -161271.3408 -108736.9724 299.4309 -199.3503 -171.3648 761398.3916 2.6527 2.4606 PRESSURE: 4550800 306.021 4.97941 -94.704 4.97877 230.45 51.8985 -94.7037 51.8971 73.2825 GPRESSURE: 4550800 386.45 24.8558 -37.5828 -79.2081 195.758 -78.5244 -201.586 141.33 105.765 PRESSAVG: 4550800 -2.10064 -46.3641 32.1817 -46.3642 11.6204 7.25332 32.1817 7.25337 19.1479 GPRESSAVG: 4550800 -1.30608 -47.5589 31.0782 -42.8509 11.2331 7.54834 31.1642 6.40088 18.4721 TIMING: 4550800 CPU: 14694.6, 0.0031521/step Wall: 14694.6, 0.0031521/step, 0.393312 hours remaining, 234.183594 MB of memory in use. ENERGY: 4550800 3977.5612 20474.2504 14464.5014 242.6332 -203622.2193 2821.7714 0.0000 0.0000 52293.5305 -109347.9713 300.5316 -161641.5017 -108995.5588 299.8814 203.2513 229.3243 759463.7117 9.5559 9.4664 PRESSURE: 4551000 16.7599 133.617 -140.507 133.616 -238.271 -213.569 -140.507 -213.569 29.4706 GPRESSURE: 4551000 16.6291 67.805 -117.641 194.359 -211.869 -215.292 -37.7845 -204.067 86.082 PRESSAVG: 4551000 56.7365 -38.7792 3.97413 -38.7792 -39.9989 -0.699706 3.97417 -0.699605 18.1715 GPRESSAVG: 4551000 57.1946 -39.4997 5.48328 -39.631 -39.9895 -0.950803 4.99641 -1.8737 17.4394 TIMING: 4551000 CPU: 14695.3, 0.00314356/step Wall: 14695.3, 0.00314356/step, 0.392072 hours remaining, 234.183594 MB of memory in use. ENERGY: 4551000 4017.4512 20571.5939 14509.4680 269.2292 -203296.6533 2541.0716 0.0000 0.0000 52053.6561 -109334.1834 299.1531 -161387.8395 -108966.9621 299.6196 -64.0136 -36.3861 760500.3749 11.6364 11.5482 PRESSURE: 4551200 11.9257 -194.088 -251.935 -194.088 -345.564 -52.8614 -251.935 -52.8618 -94.7059 GPRESSURE: 4551200 -65.8434 -252.003 -184.251 -129.19 -175.714 5.32759 -167.444 -64.643 -100.648 PRESSAVG: 4551200 -6.92974 -30.5113 25.9129 -30.5113 6.25807 -29.5203 25.9129 -29.5203 5.51947 GPRESSAVG: 4551200 -6.02192 -29.3582 26.6416 -30.2607 4.96102 -28.8677 26.4478 -29.9671 6.16194 TIMING: 4551200 CPU: 14695.9, 0.00315122/step Wall: 14695.9, 0.00315122/step, 0.392852 hours remaining, 234.183594 MB of memory in use. ENERGY: 4551200 4000.8388 20403.2613 14563.3820 248.8229 -203225.1471 2260.1415 0.0000 0.0000 52273.6902 -109475.0105 300.4176 -161748.7006 -109114.5932 299.6236 -142.7815 -114.0687 761612.0908 1.6159 1.7003 PRESSURE: 4551400 -167.163 20.7081 -194.545 20.708 -129.692 34.2518 -194.546 34.2522 -63.5663 GPRESSURE: 4551400 -195.447 48.7903 -170.923 73.674 -77.2164 67.6051 -189.342 41.8333 -15.7915 PRESSAVG: 4551400 9.39157 -19.6974 19.5837 -19.6974 -19.8556 3.83193 19.5837 3.832 5.43634 GPRESSAVG: 4551400 8.26043 -16.9855 17.0689 -20.8685 -18.4036 2.09855 22.8533 6.90234 5.5359 TIMING: 4551400 CPU: 14696.5, 0.0031667/step Wall: 14696.5, 0.0031667/step, 0.394606 hours remaining, 234.183594 MB of memory in use. ENERGY: 4551400 4003.0915 20563.6526 14482.7199 236.9981 -203146.2150 2443.4008 0.0000 0.0000 52115.6297 -109300.7224 299.5092 -161416.3521 -108937.6189 299.6208 -120.1402 -96.1518 760139.7852 -1.6759 -1.5358 PRESSURE: 4551600 -130.687 -147.65 -17.5858 -147.65 34.8302 132.9 -17.5861 132.899 64.8687 GPRESSURE: 4551600 -57.6558 -20.7875 -20.1495 -53.3465 43.761 54.1238 -14.2928 169.027 60.8312 PRESSAVG: 4551600 -3.52887 5.50384 60.1546 5.50386 50.578 12.9999 60.1546 12.9999 20.6501 GPRESSAVG: 4551600 -3.32195 3.08189 62.873 6.37104 51.1284 13.4101 59.4432 11.7114 20.3501 TIMING: 4551600 CPU: 14697.2, 0.00315145/step Wall: 14697.2, 0.00315145/step, 0.392531 hours remaining, 234.183594 MB of memory in use. ENERGY: 4551600 4007.6631 20538.9230 14564.3711 259.8020 -203081.1985 2388.2348 0.0000 0.0000 52316.2993 -109005.9052 300.6625 -161322.2045 -108652.2908 300.1952 -10.3295 15.6455 758763.9968 22.5664 22.7188 PRESSURE: 4551800 -214.509 116.516 -105.213 116.515 -117.584 -23.5295 -105.212 -23.529 -150.601 GPRESSURE: 4551800 -257.825 19.0548 -127.65 140.731 -87.1297 -26.3897 -176.514 -42.0259 -46.456 PRESSAVG: 4551800 -31.629 4.30035 19.2804 4.3003 13.9535 9.66168 19.2804 9.66161 -10.8957 GPRESSAVG: 4551800 -30.9248 4.56528 18.4739 0.882438 12.7271 9.48961 17.3875 10.4989 -11.2327 TIMING: 4551800 CPU: 14697.8, 0.00315851/step Wall: 14697.8, 0.00315851/step, 0.393235 hours remaining, 234.183594 MB of memory in use. ENERGY: 4551800 3987.7904 20530.2193 14537.9893 237.6541 -202634.2761 2294.8516 0.0000 0.0000 52077.4847 -108968.2867 299.2900 -161045.7714 -108608.3838 300.5180 -160.8977 -130.4701 762721.8123 -9.5238 -9.8101 PRESSURE: 4552000 -227.986 109.695 238.623 109.695 -2.23158 -34.0251 238.624 -34.0259 26.823 GPRESSURE: 4552000 -130.519 173.527 297.815 153.243 -32.2025 13.8775 205.638 -104.502 39.05 PRESSAVG: 4552000 -77.8027 -10.8191 21.754 -10.8191 30.2134 6.08159 21.754 6.0816 -12.6087 GPRESSAVG: 4552000 -78.816 -10.8461 21.7892 -10.5401 31.2858 7.89987 20.8532 4.57654 -12.5503 TIMING: 4552000 CPU: 14698.4, 0.00315471/step Wall: 14698.4, 0.00315471/step, 0.392586 hours remaining, 234.183594 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: 4552000 3994.6182 20475.2183 14491.0853 234.0644 -202888.0713 2308.0119 0.0000 0.0000 52158.3248 -109226.7483 299.7546 -161385.0731 -108866.9554 300.1199 -67.7981 -41.2238 761647.8109 -20.0660 -20.0268 PRESSURE: 4552200 438.927 -60.1368 -320.299 -60.1367 -67.1753 -29.6158 -320.299 -29.6144 -147.147 GPRESSURE: 4552200 466.746 32.2065 -228.56 -68.6057 16.7626 33.106 -234.419 11.6553 -173.772 PRESSAVG: 4552200 19.5782 3.10696 54.8499 3.10697 -66.7996 -46.9913 54.8499 -46.9913 4.87474 GPRESSAVG: 4552200 19.9221 0.0861634 54.8581 3.76862 -66.5011 -46.8113 54.3037 -47.6687 4.39345 TIMING: 4552200 CPU: 14699.1, 0.00313371/step Wall: 14699.1, 0.00313371/step, 0.389798 hours remaining, 234.183594 MB of memory in use. ENERGY: 4552200 3959.4535 20383.5873 14552.3948 241.9600 -203233.9759 2468.6051 0.0000 0.0000 52055.6148 -109572.3604 299.1643 -161627.9752 -109208.9049 299.2727 74.8683 103.2455 761667.4946 -14.1155 -14.0618 LDB: ============= START OF LOAD BALANCING ============== 14711.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14711.5 LDB: =============== DONE WITH MIGRATION ================ 14711.5 LDB: ============= START OF LOAD BALANCING ============== 14711.8 LDB: Largest compute 7025 load 0.034081 is 17.4% of average load 0.195503 LDB: Average compute 0.004396 is 2.2% of average load 0.195503 LDB: TIME 14711.8 LOAD: AVG 0.195503 MAX 0.217332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.496 MB LDB: TIME 14711.8 LOAD: AVG 0.195503 MAX 0.217332 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 14711.8 LOAD: AVG 0.195503 MAX 0.217332 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 14711.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14711.8 PRESSURE: 4552400 395.549 -26.7142 -190.961 -26.7152 -166.694 1.71552 -190.961 1.71533 -135.479 GPRESSURE: 4552400 450.395 34.4931 -151.531 -15.3017 -155.287 -31.5005 -153.468 31.7896 -119.588 PRESSAVG: 4552400 47.466 -3.64169 12.8347 -3.6417 -28.7822 -9.26998 12.8346 -9.27 -5.26347 GPRESSAVG: 4552400 47.563 -1.54762 12.9684 -3.89191 -29.9467 -9.96904 13.539 -8.55222 -5.01093 TIMING: 4552400 CPU: 14699.7, 0.00321432/step Wall: 14699.7, 0.00321432/step, 0.399647 hours remaining, 236.027344 MB of memory in use. ENERGY: 4552400 4017.2329 20348.0844 14475.7360 258.7575 -203185.8759 2602.0706 0.0000 0.0000 51818.0637 -109665.9309 297.7991 -161483.9946 -109307.9427 298.8700 31.1252 58.5066 760860.0040 4.4735 4.2018 PRESSURE: 4552600 226.543 7.38303 -111.764 7.38372 230.55 -132.114 -111.764 -132.114 461.962 GPRESSURE: 4552600 321.07 85.2319 -211.727 -43.1899 229.322 -63.4055 -147.004 -192.85 441.107 PRESSAVG: 4552600 72.9375 13.7082 -17.3539 13.7082 -59.1443 -22.0188 -17.354 -22.0188 -12.8752 GPRESSAVG: 4552600 73.1309 13.0507 -18.4524 14.3779 -58.5111 -22.3324 -16.9543 -22.0098 -14.072 TIMING: 4552600 CPU: 14700.3, 0.00313167/step Wall: 14700.3, 0.00313167/step, 0.389197 hours remaining, 236.285156 MB of memory in use. ENERGY: 4552600 3960.8853 20510.0156 14591.6889 257.9959 -203493.0390 2645.2236 0.0000 0.0000 52045.4696 -109481.7602 299.1060 -161527.2298 -109121.7341 299.1220 306.3518 330.4997 761182.4657 0.3060 0.1826 PRESSURE: 4552800 -224.63 0.662392 -10.9513 0.663751 -63.9313 89.0677 -10.9503 89.0675 -403.428 GPRESSURE: 4552800 -166.977 -14.9479 -16.2042 -28.4102 -63.7235 94.5304 59.4241 90.3181 -389.112 PRESSAVG: 4552800 29.9876 55.0169 -58.7447 55.0169 -42.4249 -35.7827 -58.7447 -35.7827 9.62869 GPRESSAVG: 4552800 29.9614 54.1705 -59.1383 54.6109 -42.9852 -35.0037 -58.1971 -36.0177 10.374 TIMING: 4552800 CPU: 14700.9, 0.0031326/step Wall: 14700.9, 0.0031326/step, 0.389138 hours remaining, 236.347656 MB of memory in use. ENERGY: 4552800 4003.8196 20535.2330 14466.1142 247.9853 -202718.9758 1825.7404 0.0000 0.0000 52111.1081 -109528.9752 299.4833 -161640.0833 -109175.1459 299.2459 -230.6631 -206.6042 761505.4319 -0.9362 -0.8833 PRESSURE: 4553000 129.593 152.523 172.183 152.523 -371.773 -244.357 172.183 -244.357 -83.1028 GPRESSURE: 4553000 127.994 82.06 186.373 118.62 -247.1 -176.761 56.8826 -303.727 -98.0148 PRESSAVG: 4553000 39.6077 14.9179 -0.838338 14.9179 -49.9039 39.2119 -0.838258 39.2119 5.35167 GPRESSAVG: 4553000 39.3473 15.7627 -0.883309 13.3345 -49.0595 37.9985 -1.03896 38.8297 5.35788 TIMING: 4553000 CPU: 14701.6, 0.00313259/step Wall: 14701.6, 0.00313259/step, 0.388963 hours remaining, 236.488281 MB of memory in use. ENERGY: 4553000 4060.2471 20442.7756 14436.5833 228.4630 -203774.6882 2789.8939 0.0000 0.0000 52242.2525 -109574.4728 300.2369 -161816.7252 -109211.3853 299.1799 -108.4278 -72.3737 761951.3080 -1.6482 -1.4514 PRESSURE: 4553200 45.9347 -59.7604 -61.1423 -59.7605 -268.002 -51.6969 -61.142 -51.6964 -314.724 GPRESSURE: 4553200 122.28 -104.833 -63.1249 -32.6675 -252.054 16.3415 -27.3906 -47.7252 -326.501 PRESSAVG: 4553200 78.4303 -38.9434 -17.9624 -38.9435 -66.1746 32.0836 -17.9623 32.0836 6.9418 GPRESSAVG: 4553200 78.3519 -39.9958 -15.8769 -36.6308 -67.0374 35.7772 -19.6962 31.1813 7.03801 TIMING: 4553200 CPU: 14702.2, 0.00310774/step Wall: 14702.2, 0.00310774/step, 0.385705 hours remaining, 236.488281 MB of memory in use. ENERGY: 4553200 3907.9274 20595.8379 14461.7779 243.1957 -203079.0890 2199.8257 0.0000 0.0000 52195.4720 -109475.0524 299.9681 -161670.5244 -109103.3646 299.2883 -178.9306 -152.0916 762277.6620 6.3992 6.1175 PRESSURE: 4553400 -186.158 -168.349 -97.4567 -168.35 -392.523 146.373 -97.4567 146.373 -62.0109 GPRESSURE: 4553400 -79.231 -133.256 -114.098 -86.9995 -401.68 64.1194 -59.4012 62.796 -83.6755 PRESSAVG: 4553400 71.0996 -23.6336 -2.91867 -23.6336 -22.7441 5.6179 -2.91862 5.61789 2.82521 GPRESSAVG: 4553400 72.3136 -23.2435 -3.25737 -23.9218 -22.6779 4.15687 -3.13724 7.90934 1.97384 TIMING: 4553400 CPU: 14702.8, 0.00313126/step Wall: 14702.8, 0.00313126/step, 0.38845 hours remaining, 236.503906 MB of memory in use. ENERGY: 4553400 4005.9927 20524.3028 14550.1163 238.2154 -203208.3457 2350.5557 0.0000 0.0000 52084.2760 -109454.8867 299.3291 -161539.1627 -109096.4918 299.4639 -213.5638 -188.1956 761472.2870 17.0602 17.2032 PRESSURE: 4553600 -18.1541 245.223 86.1413 245.223 -333.971 -64.906 86.1411 -64.9051 172.513 GPRESSURE: 4553600 -50.1229 168.22 35.0595 254.157 -272.725 -64.119 46.7606 -144.841 224.265 PRESSAVG: 4553600 34.8288 30.1849 -54.4453 30.1848 -32.9725 -3.3181 -54.4453 -3.31808 10.2271 GPRESSAVG: 4553600 33.3015 30.6194 -53.5433 29.4151 -32.7657 -4.45854 -55.1887 -3.28978 11.3454 TIMING: 4553600 CPU: 14703.4, 0.00310407/step Wall: 14703.4, 0.00310407/step, 0.384905 hours remaining, 236.503906 MB of memory in use. ENERGY: 4553600 3996.9724 20498.6122 14577.4944 236.4940 -203247.4035 2259.8462 0.0000 0.0000 52127.7299 -109550.2544 299.5788 -161677.9843 -109190.3237 299.5416 -59.8707 -32.8609 760171.3973 4.0278 3.9604 PRESSURE: 4553800 136.905 212.8 51.4994 212.8 -1.64593 64.3738 51.4987 64.374 70.8822 GPRESSURE: 4553800 210.368 105.826 17.028 143.584 0.739618 137.455 154.342 225.395 67.085 PRESSAVG: 4553800 65.9337 6.26896 -13.3893 6.269 -65.774 -20.8245 -13.3893 -20.8245 0.741748 GPRESSAVG: 4553800 67.2469 6.64974 -14.647 6.94583 -66.3468 -20.1002 -11.5917 -22.3043 -0.0556763 TIMING: 4553800 CPU: 14704.1, 0.00311975/step Wall: 14704.1, 0.00311975/step, 0.386675 hours remaining, 236.503906 MB of memory in use. ENERGY: 4553800 4036.4047 20448.7053 14531.9508 237.6047 -203175.2499 2442.6118 0.0000 0.0000 52101.8505 -109376.1220 299.4301 -161477.9726 -109007.6204 299.4757 68.7138 92.7309 760492.3118 0.3005 0.2815 PRESSURE: 4554000 -29.9998 307.53 -156.711 307.531 -495.438 53.4481 -156.711 53.4485 396.084 GPRESSURE: 4554000 -110.884 196.538 -193.755 341.852 -294.611 14.7825 -239.354 69.1821 370.425 PRESSAVG: 4554000 -1.19126 -0.921385 0.886042 -0.921444 -31.2456 16.8179 0.886071 16.818 -1.39642 GPRESSAVG: 4554000 -1.15068 -0.871355 2.11575 -0.520716 -31.607 14.6042 0.0604634 19.3311 -1.47505 TIMING: 4554000 CPU: 14704.7, 0.00311465/step Wall: 14704.7, 0.00311465/step, 0.385871 hours remaining, 236.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4554000 3888.2949 20747.1419 14482.7381 236.9410 -202807.7546 2100.8045 0.0000 0.0000 52028.7174 -109323.1167 299.0098 -161351.8342 -108963.8558 299.7588 -43.1179 -11.6901 761670.8640 -11.2778 -11.4109 PRESSURE: 4554200 -115.206 35.6771 -138.993 35.6764 69.8052 158.909 -138.992 158.909 555.126 GPRESSURE: 4554200 -29.5861 158.459 -169.425 -107.518 134.248 238.278 -93.8415 156.796 491.65 PRESSAVG: 4554200 -13.3123 -18.8951 17.3159 -18.8951 31.7348 71.892 17.3159 71.8919 -19.6393 GPRESSAVG: 4554200 -14.1367 -20.056 15.9256 -18.6508 32.7257 73.7233 19.2541 69.3557 -20.263 TIMING: 4554200 CPU: 14705.3, 0.00314761/step Wall: 14705.3, 0.00314761/step, 0.38978 hours remaining, 236.503906 MB of memory in use. ENERGY: 4554200 3896.4893 20612.2583 14589.1465 223.0966 -203276.8550 2473.0413 0.0000 0.0000 51949.6955 -109533.1275 298.5556 -161482.8230 -109167.2582 299.3853 169.9086 198.7705 760541.4121 -0.4056 -0.5580 PRESSURE: 4554400 -5.51756 0.184851 159.544 0.185156 19.8771 74.6422 159.544 74.6427 -148.661 GPRESSURE: 4554400 78.2431 -8.62293 257.796 42.8456 -35.4888 13.1497 74.6061 149.352 -104.024 PRESSAVG: 4554400 22.0542 -33.6048 6.14526 -33.6049 -24.6341 51.166 6.1453 51.166 -24.4996 GPRESSAVG: 4554400 22.6804 -33.3832 7.31995 -33.3934 -26.2355 50.1344 4.4379 53.1541 -23.2047 TIMING: 4554400 CPU: 14705.9, 0.00313722/step Wall: 14705.9, 0.00313722/step, 0.388319 hours remaining, 236.503906 MB of memory in use. ENERGY: 4554400 3951.7164 20502.8271 14508.7460 231.4965 -203300.1839 2498.2165 0.0000 0.0000 52081.5424 -109525.6390 299.3133 -161607.1814 -109161.7984 299.1037 -44.7671 -20.4233 761038.2112 -9.0265 -8.9199 PRESSURE: 4554600 -164.578 -267.468 -17.3807 -267.467 -348.256 -85.0656 -17.3811 -85.0655 -35.2414 GPRESSURE: 4554600 -96.7935 -285.37 30.4748 -224.904 -290.259 -38.8279 100.432 -119.159 -64.0682 PRESSAVG: 4554600 35.1967 34.0048 38.608 34.0048 -4.98365 20.4841 38.608 20.4841 -0.526567 GPRESSAVG: 4554600 35.4389 35.5833 36.6948 32.7623 -4.48904 21.7157 39.788 19.1379 -1.21308 TIMING: 4554600 CPU: 14706.6, 0.00313619/step Wall: 14706.6, 0.00313619/step, 0.388016 hours remaining, 236.503906 MB of memory in use. ENERGY: 4554600 3945.2243 20710.3418 14582.4570 261.7260 -203551.0640 2530.8522 0.0000 0.0000 51953.0914 -109567.3714 298.5751 -161520.4627 -109216.7906 299.0306 -182.6919 -150.3735 758912.2464 9.8955 9.9123 PRESSURE: 4554800 -89.3278 -138.736 45.8133 -138.736 186.909 14.2618 45.8127 14.2623 -62.3179 GPRESSURE: 4554800 -45.8189 -273.826 66.7222 -182.025 213.664 -8.40531 59.0442 84.9777 -50.2591 PRESSAVG: 4554800 -77.4108 -23.609 -5.50756 -23.609 50.9001 16.8122 -5.5076 16.8123 -14.504 GPRESSAVG: 4554800 -79.9219 -24.0717 -5.20495 -22.0159 52.3027 14.509 -3.32082 19.1683 -13.1333 TIMING: 4554800 CPU: 14707.2, 0.00316684/step Wall: 14707.2, 0.00316684/step, 0.391632 hours remaining, 236.503906 MB of memory in use. ENERGY: 4554800 3953.4069 20628.4807 14489.0433 242.7532 -203245.3336 2415.7408 0.0000 0.0000 52008.0104 -109507.8982 298.8908 -161515.9087 -109145.6336 299.1441 11.7543 39.1954 759567.3891 -13.6716 -13.5842 PRESSURE: 4555000 -70.1483 -225.498 -115.918 -225.499 -56.2346 29.1695 -115.919 29.1697 -219.499 GPRESSURE: 4555000 -57.8543 -225.578 -123.915 -183.558 -30.8173 -21.3666 -149.761 -3.57453 -191.005 PRESSAVG: 4555000 -25.7842 19.8712 57.1792 19.8712 37.2526 17.3438 57.1792 17.3439 -7.93366 GPRESSAVG: 4555000 -23.7449 19.3594 57.9422 18.9437 36.9 18.6669 56.406 17.718 -9.86351 TIMING: 4555000 CPU: 14707.8, 0.00311531/step Wall: 14707.8, 0.00311531/step, 0.385087 hours remaining, 236.503906 MB of memory in use. ENERGY: 4555000 3957.9672 20535.7397 14498.7486 251.3537 -203351.9725 2452.0326 0.0000 0.0000 51929.2383 -109726.8924 298.4380 -161656.1307 -109368.7135 299.4145 -115.2940 -93.2255 760367.5602 1.1783 1.0972 PRESSURE: 4555200 -150.756 -30.3622 48.5973 -30.3626 -193.131 -72.8518 48.5976 -72.8519 -77.8176 GPRESSURE: 4555200 -62.2255 18.4859 -65.3889 -52.0728 -128.518 -89.266 76.6783 -19.8157 -135.201 PRESSAVG: 4555200 -16.6423 -1.49865 22.0515 -1.49862 -21.0636 -14.7481 22.0515 -14.7482 18.2854 GPRESSAVG: 4555200 -16.6857 -2.16944 21.0281 -1.57913 -22.5166 -13.0722 21.2566 -18.0248 19.8755 TIMING: 4555200 CPU: 14708.5, 0.00311503/step Wall: 14708.5, 0.00311503/step, 0.38488 hours remaining, 236.503906 MB of memory in use. ENERGY: 4555200 4015.1579 20631.5052 14518.0780 239.1146 -204122.0289 2697.1773 0.0000 0.0000 51906.8482 -110114.1476 298.3094 -162020.9959 -109760.7432 298.1178 -140.5681 -108.6484 759543.0521 -6.4735 -6.4423 PRESSURE: 4555400 200.676 -392.477 269.844 -392.477 42.6439 -17.8813 269.845 -17.8799 -38.5063 GPRESSURE: 4555400 241.552 -266.007 253.405 -339.02 57.9906 -24.3666 296.204 -17.0669 -17.8046 PRESSAVG: 4555400 8.78123 -19.3889 24.6082 -19.3889 -25.1029 26.4901 24.6082 26.4902 20.9991 GPRESSAVG: 4555400 8.76776 -18.2616 26.6865 -18.6891 -24.7787 27.8001 24.3994 25.0526 20.5409 TIMING: 4555400 CPU: 14709.1, 0.00312693/step Wall: 14709.1, 0.00312693/step, 0.386176 hours remaining, 236.503906 MB of memory in use. ENERGY: 4555400 4010.9549 20470.7479 14552.2014 239.2457 -203615.4218 2387.8041 0.0000 0.0000 51924.7130 -110029.7548 298.4120 -161954.4678 -109672.7493 298.8113 68.2712 93.9126 760234.7034 1.5591 1.5100 PRESSURE: 4555600 -306.871 -51.8161 37.975 -51.8152 55.8865 35.0801 37.9747 35.0808 468.959 GPRESSURE: 4555600 -277.373 33.7393 50.3624 -46.8756 119.748 44.5414 137.127 84.7654 448.042 PRESSAVG: 4555600 -2.15851 -45.9337 -7.73721 -45.9337 -20.5959 36.5625 -7.73716 36.5625 1.5333 GPRESSAVG: 4555600 -2.43643 -44.5457 -9.00577 -47.7903 -19.5918 33.7672 -8.30691 39.8037 1.00784 TIMING: 4555600 CPU: 14709.7, 0.00312973/step Wall: 14709.7, 0.00312973/step, 0.386348 hours remaining, 236.503906 MB of memory in use. ENERGY: 4555600 3948.8096 20480.8624 14566.1483 244.9132 -203624.1202 2637.6360 0.0000 0.0000 51877.1433 -109868.6074 298.1387 -161745.7507 -109500.4296 298.4164 72.6582 96.8056 761265.2057 -7.0737 -7.0068 PRESSURE: 4555800 237.617 11.8293 29.7646 11.83 188.348 -176.359 29.765 -176.358 203.862 GPRESSURE: 4555800 294.435 -64.9959 -12.9484 -69.8294 198.542 -167.702 34.661 -142.43 241.298 PRESSAVG: 4555800 24.5676 -25.7243 -13.2521 -25.7243 -47.5249 -42.649 -13.2522 -42.6489 0.534375 GPRESSAVG: 4555800 24.7126 -27.5395 -12.2358 -26.1454 -48.6873 -41.008 -12.7574 -42.4636 1.16965 TIMING: 4555800 CPU: 14710.3, 0.00314363/step Wall: 14710.3, 0.00314363/step, 0.38789 hours remaining, 236.503906 MB of memory in use. ENERGY: 4555800 3943.9016 20549.5703 14504.7753 245.3200 -204225.5702 2978.7771 0.0000 0.0000 52101.5853 -109901.6406 299.4285 -162003.2259 -109539.0892 298.8712 209.9421 244.7586 759911.8567 -7.4743 -7.6017 PRESSURE: 4556000 88.6591 -2.17941 45.574 -2.17819 194.97 -41.1628 45.5741 -41.1625 255.109 GPRESSURE: 4556000 95.7148 -52.8438 -3.7289 -136.421 216.053 -17.8745 -17.8136 -124.391 300.422 PRESSAVG: 4556000 -2.43562 -36.2367 24.5549 -36.2366 -24.6479 3.22566 24.5548 3.22557 16.7329 GPRESSAVG: 4556000 -2.41055 -35.3355 23.3107 -33.5871 -24.5665 0.804984 24.1789 2.84683 17.0935 TIMING: 4556000 CPU: 14711, 0.00312969/step Wall: 14711, 0.00312969/step, 0.385995 hours remaining, 236.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4556000 3974.6983 20517.2107 14571.4203 253.8351 -203793.9289 2757.3787 0.0000 0.0000 51908.6447 -109810.7411 298.3197 -161719.3858 -109442.9798 298.3590 179.5793 204.0635 761405.8106 -3.4502 -3.2945 PRESSURE: 4556200 -128.054 71.1394 229.798 71.1387 -298.473 -33.4125 229.798 -33.4131 172.286 GPRESSURE: 4556200 -166.97 132.585 233.425 -24.7942 -194.526 -135.22 131.043 -13.9822 203.926 PRESSAVG: 4556200 6.65292 -3.71675 -8.71598 -3.71674 -17.162 -6.43295 -8.71601 -6.4329 -0.883917 GPRESSAVG: 4556200 6.20229 -3.81922 -8.76811 -4.1576 -16.3962 -6.49218 -7.25857 -6.01181 -1.25942 TIMING: 4556200 CPU: 14711.6, 0.00312679/step Wall: 14711.6, 0.00312679/step, 0.385463 hours remaining, 236.503906 MB of memory in use. ENERGY: 4556200 4011.9787 20377.4612 14587.9584 223.0113 -203387.5139 2400.5804 0.0000 0.0000 52115.3441 -109671.1799 299.5076 -161786.5240 -109306.0121 298.5550 -84.7469 -52.5232 760759.6525 -3.7977 -3.8178 LDB: ============= START OF LOAD BALANCING ============== 14724 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14724 LDB: =============== DONE WITH MIGRATION ================ 14724 LDB: ============= START OF LOAD BALANCING ============== 14724.3 LDB: Largest compute 7075 load 0.032696 is 16.7% of average load 0.195568 LDB: Average compute 0.004413 is 2.3% of average load 0.195568 LDB: TIME 14724.3 LOAD: AVG 0.195568 MAX 0.220908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.867 MB LDB: TIME 14724.3 LOAD: AVG 0.195568 MAX 0.220908 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.906 MB LDB: TIME 14724.3 LOAD: AVG 0.195568 MAX 0.213768 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.906 MB LDB: ============== END OF LOAD BALANCING =============== 14724.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14724.3 PRESSURE: 4556400 75.9495 3.19377 117.412 3.19331 -91.1584 53.9655 117.411 53.9667 -75.7066 GPRESSURE: 4556400 185.283 -72.2487 102.334 68.0568 -90.8055 111.153 113.157 44.0869 -110.696 PRESSAVG: 4556400 31.9728 -43.8306 1.23009 -43.8306 -47.9497 -5.39931 1.23014 -5.39932 6.26805 GPRESSAVG: 4556400 31.9597 -44.2842 1.28079 -43.0011 -47.7037 -4.49649 1.06874 -5.96272 6.54226 TIMING: 4556400 CPU: 14712.2, 0.00319525/step Wall: 14712.2, 0.00319525/step, 0.393725 hours remaining, 236.164062 MB of memory in use. ENERGY: 4556400 4110.9913 20621.5823 14529.2774 266.5609 -204159.9371 3072.6368 0.0000 0.0000 51789.9142 -109768.9742 297.6373 -161558.8884 -109405.1872 298.0879 -30.3052 -5.4061 760337.2701 -3.2363 -3.0672 PRESSURE: 4556600 -597.31 -45.922 94.7772 -45.9225 -137.317 -26.1831 94.7764 -26.1833 210.874 GPRESSURE: 4556600 -514.891 -58.1572 123.566 -156.139 -147.147 -61.2192 -142.704 -196.951 211.285 PRESSAVG: 4556600 77.9144 -57.8283 -15.5862 -57.8284 -104.359 -17.1031 -15.5862 -17.1031 9.71454 GPRESSAVG: 4556600 80.0222 -56.7202 -13.8172 -62.0642 -105.758 -17.2537 -17.5774 -15.863 9.2814 TIMING: 4556600 CPU: 14712.9, 0.00314563/step Wall: 14712.9, 0.00314563/step, 0.387437 hours remaining, 236.363281 MB of memory in use. ENERGY: 4556600 4035.0767 20508.1567 14470.6740 242.8094 -203571.1660 2526.1798 0.0000 0.0000 51992.0251 -109796.2443 298.7989 -161788.2694 -109433.9131 298.8679 -174.5841 -150.2510 761383.7530 -5.5766 -5.4847 PRESSURE: 4556800 6.79134 93.995 33.3618 93.9946 -296.54 -37.4215 33.3612 -37.4214 -120.472 GPRESSURE: 4556800 -0.471405 24.7175 -6.68776 32.04 -167.398 -23.9584 5.69797 -156.594 -147.276 PRESSAVG: 4556800 -0.331632 -42.3967 -60.1482 -42.3968 3.59929 10.0605 -60.1481 10.0604 3.06213 GPRESSAVG: 4556800 -1.87192 -42.0011 -60.7175 -40.3043 4.65588 10.1735 -60.2626 9.04204 3.53058 TIMING: 4556800 CPU: 14713.5, 0.00311435/step Wall: 14713.5, 0.00311435/step, 0.383411 hours remaining, 236.363281 MB of memory in use. ENERGY: 4556800 4004.1260 20496.9468 14503.8094 244.6538 -203239.9886 2224.6844 0.0000 0.0000 52179.6819 -109586.0862 299.8773 -161765.7681 -109217.6584 299.3160 -136.7403 -105.0486 760219.7381 2.1099 2.1048 PRESSURE: 4557000 176.042 -65.9098 -84.1 -65.9103 117.979 86.4727 -84.1 86.4728 -36.9398 GPRESSURE: 4557000 164.26 -104.627 -97.6061 16.6261 106.594 94.8913 68.2703 47.539 61.1506 PRESSAVG: 4557000 60.67 -51.5872 -35.8823 -51.5873 -70.8992 -23.2087 -35.8822 -23.2086 6.70675 GPRESSAVG: 4557000 61.4642 -53.874 -36.5273 -49.3698 -71.3982 -23.727 -34.3785 -23.3421 6.07064 TIMING: 4557000 CPU: 14714.1, 0.0031152/step Wall: 14714.1, 0.0031152/step, 0.383343 hours remaining, 236.363281 MB of memory in use. ENERGY: 4557000 3997.2596 20542.6488 14527.4073 253.6460 -203631.8496 2783.7641 0.0000 0.0000 52227.3401 -109299.7836 300.1512 -161527.1237 -108940.5367 299.6384 85.6938 110.6684 762626.9174 -1.1741 -1.2878 PRESSURE: 4557200 -54.0771 -23.0762 35.8629 -23.0766 -418.821 87.4501 35.8639 87.4506 37.3571 GPRESSURE: 4557200 -50.1649 88.9777 71.3262 -24.2801 -364.332 106.006 -110.518 157.3 47.0715 PRESSAVG: 4557200 18.0683 -38.3922 -84.5861 -38.3921 -67.5852 37.8458 -84.5861 37.8458 23.0254 GPRESSAVG: 4557200 16.7211 -35.0326 -85.3668 -39.8268 -66.7956 37.6063 -86.1172 38.8245 23.6014 TIMING: 4557200 CPU: 14714.7, 0.00310158/step Wall: 14714.7, 0.00310158/step, 0.381495 hours remaining, 236.363281 MB of memory in use. ENERGY: 4557200 3997.5199 20521.0134 14591.9893 251.1318 -203497.7445 2506.3234 0.0000 0.0000 52259.1344 -109370.6323 300.3340 -161629.7667 -109000.2415 299.6458 -145.1803 -122.4750 761404.3554 -8.8305 -8.8244 PRESSURE: 4557400 -513.491 146.052 61.5066 146.052 -477.813 -250.706 61.5061 -250.706 -235.164 GPRESSURE: 4557400 -413.714 150.698 121.943 95.9015 -411.61 -329.323 51.9739 -134.126 -309.003 PRESSAVG: 4557400 37.7446 -63.0307 28.5686 -63.0307 -45.1377 3.25805 28.5685 3.2581 -16.6513 GPRESSAVG: 4557400 38.0383 -63.2385 27.4585 -64.4282 -44.876 5.09918 29.1831 3.70618 -16.7054 TIMING: 4557400 CPU: 14715.3, 0.00311435/step Wall: 14715.3, 0.00311435/step, 0.382893 hours remaining, 236.691406 MB of memory in use. ENERGY: 4557400 4068.2219 20567.0076 14567.1228 246.4585 -203457.0697 2478.4921 0.0000 0.0000 52302.6858 -109227.0810 300.5843 -161529.7668 -108861.5120 300.2353 -408.8226 -378.1089 761457.5524 -8.0148 -7.8477 PRESSURE: 4557600 -103.743 -45.1726 -100.702 -45.1726 -299.737 296.989 -100.703 296.99 -138.501 GPRESSURE: 4557600 -96.2298 -93.8293 -115.143 -1.82789 -244.346 308.12 -235.569 205.204 -110.997 PRESSAVG: 4557600 39.6756 -19.7497 2.48138 -19.7497 -47.4332 -16.7635 2.48143 -16.7635 -16.4312 GPRESSAVG: 4557600 40.1669 -21.2682 3.00938 -17.2164 -48.3426 -16.2305 2.49627 -20.9575 -16.177 TIMING: 4557600 CPU: 14716, 0.00312204/step Wall: 14716, 0.00312204/step, 0.383664 hours remaining, 236.691406 MB of memory in use. ENERGY: 4557600 4028.6238 20694.8537 14597.8049 257.2767 -203473.0438 2516.0588 0.0000 0.0000 52001.0081 -109377.4179 298.8505 -161378.4260 -109012.7529 299.6166 -180.6606 -150.5242 761689.6770 -8.0629 -8.1176 PRESSURE: 4557800 278.734 -31.1893 135.928 -31.1891 217.049 -98.0667 135.928 -98.066 -4.09584 GPRESSURE: 4557800 293.083 10.0294 114.324 -133.251 195.912 -34.1408 74.3645 -30.1394 73.4435 PRESSAVG: 4557800 47.7319 -32.8876 -61.3778 -32.8876 -53.5508 -34.9653 -61.3778 -34.9653 6.53288 GPRESSAVG: 4557800 48.2426 -32.4578 -60.8876 -34.5897 -53.0362 -35.7019 -63.5396 -30.9505 5.41694 TIMING: 4557800 CPU: 14716.6, 0.00309729/step Wall: 14716.6, 0.00309729/step, 0.38045 hours remaining, 236.691406 MB of memory in use. ENERGY: 4557800 3965.5908 20536.6960 14571.1216 237.2198 -203561.9838 2830.5194 0.0000 0.0000 51968.3920 -109452.4443 298.6631 -161420.8363 -109090.9797 299.4410 163.8956 187.4792 760919.6520 0.2380 0.2078 PRESSURE: 4558000 -154.478 -250.198 -340.441 -250.198 -386.646 -55.326 -340.441 -55.3265 88.4924 GPRESSURE: 4558000 -137.404 -289.986 -330.483 -250.845 -255.686 -53.2134 -337.532 -93.2952 25.0702 PRESSAVG: 4558000 65.8439 -89.4658 15.3415 -89.4657 -55.1918 -14.7459 15.3415 -14.746 0.859713 GPRESSAVG: 4558000 64.9819 -89.4368 16.5098 -87.7841 -54.0504 -15.9914 16.547 -16.5425 0.340769 TIMING: 4558000 CPU: 14717.2, 0.00313192/step Wall: 14717.2, 0.00313192/step, 0.38453 hours remaining, 236.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4558000 4022.9561 20482.7536 14575.0195 240.6836 -203541.7900 2541.6264 0.0000 0.0000 52091.7982 -109586.9526 299.3723 -161678.7508 -109219.1742 299.4536 -150.8772 -122.6730 760991.1950 3.8373 3.7574 PRESSURE: 4558200 139.908 -159.908 90.6806 -159.909 38.2771 -10.3931 90.6802 -10.3933 -212.673 GPRESSURE: 4558200 121.714 -69.528 104.19 -79.858 79.8829 45.7156 84.6858 47.8483 -164.568 PRESSAVG: 4558200 20.6681 28.6456 33.2291 28.6456 -4.6481 -5.78691 33.229 -5.78683 39.4825 GPRESSAVG: 4558200 19.8572 28.7761 31.3282 27.4685 -6.11513 -4.11166 33.8327 -6.70728 41.1102 TIMING: 4558200 CPU: 14717.8, 0.00310509/step Wall: 14717.8, 0.00310509/step, 0.381063 hours remaining, 236.761719 MB of memory in use. ENERGY: 4558200 3946.3808 20592.6949 14536.0797 265.2370 -203750.7840 2492.2314 0.0000 0.0000 52158.6274 -109759.5328 299.7563 -161918.1602 -109391.9395 298.7016 -11.4963 12.3430 759736.8176 18.5008 18.2841 PRESSURE: 4558400 -21.1243 134.059 -66.2068 134.059 -227.161 26.0612 -66.207 26.0621 144.379 GPRESSURE: 4558400 38.2865 131.815 -77.6692 247.333 -137.576 82.336 -27.9423 35.3115 72.7855 PRESSAVG: 4558400 40.8895 -8.5446 -34.2299 -8.5446 -67.5672 -19.0689 -34.23 -19.0689 -1.10861 GPRESSAVG: 4558400 41.9354 -9.25682 -34.9562 -5.68156 -67.1908 -21.2016 -34.9558 -17.4147 -2.04913 TIMING: 4558400 CPU: 14718.5, 0.00311315/step Wall: 14718.5, 0.00311315/step, 0.38188 hours remaining, 236.761719 MB of memory in use. ENERGY: 4558400 3952.9262 20470.1270 14515.8348 243.2960 -203225.8507 2356.7575 0.0000 0.0000 51886.8723 -109800.0369 298.1946 -161686.9093 -109438.6356 298.4443 -34.6355 -8.8347 758967.4051 -9.2621 -9.1015 PRESSURE: 4558600 289.116 93.2015 -83.3014 93.2014 -10.5748 69.897 -83.3021 69.8986 -16.0655 GPRESSURE: 4558600 242.24 49.9988 -122.749 -5.76208 -18.182 91.4153 -180.422 -34.2397 133.795 PRESSAVG: 4558600 56.7701 14.2697 -24.9766 14.2697 -21.6637 7.70861 -24.9766 7.70868 -10.2458 GPRESSAVG: 4558600 55.974 15.4631 -24.3693 11.6089 -21.2959 9.36299 -25.281 7.12258 -10.084 TIMING: 4558600 CPU: 14719.1, 0.00308498/step Wall: 14719.1, 0.00308498/step, 0.378253 hours remaining, 236.761719 MB of memory in use. ENERGY: 4558600 3988.4407 20461.0267 14567.6329 257.7864 -203560.5273 2559.5518 0.0000 0.0000 51966.4023 -109759.6865 298.6516 -161726.0888 -109408.3326 298.8635 87.4919 119.2845 760159.3010 8.2869 8.1980 PRESSURE: 4558800 156.495 83.1959 115.827 83.1958 50.0804 170.076 115.828 170.076 284.711 GPRESSURE: 4558800 255.249 104.139 69.0522 19.0987 75.2209 239.887 70.7594 150.996 293.318 PRESSAVG: 4558800 14.5589 -26.0278 -24.491 -26.0277 -33.3147 -17.2512 -24.491 -17.2512 17.1066 GPRESSAVG: 4558800 13.873 -25.7273 -24.699 -25.0992 -33.0944 -18.8694 -22.6627 -15.42 18.2784 TIMING: 4558800 CPU: 14719.7, 0.00309819/step Wall: 14719.7, 0.00309819/step, 0.379701 hours remaining, 236.761719 MB of memory in use. ENERGY: 4558800 3990.5910 20368.8100 14529.2596 223.0942 -203819.9790 2964.0054 0.0000 0.0000 52033.9768 -109710.2421 299.0400 -161744.2189 -109348.0762 298.5475 163.7623 207.9295 762188.9967 -0.5497 -0.3143 PRESSURE: 4559000 -203.939 -152.139 124.389 -152.139 -190.431 -338.923 124.389 -338.923 -513.618 GPRESSURE: 4559000 -195.746 -175.45 194.794 -104.008 -188.135 -263.104 57.6641 -447.048 -446.588 PRESSAVG: 4559000 -0.899168 -40.4636 -25.6529 -40.4636 10.5699 -50.2416 -25.6529 -50.2416 -2.78786 GPRESSAVG: 4559000 -0.595013 -40.783 -25.1468 -40.988 10.5054 -49.5103 -27.9936 -52.0099 -3.80006 TIMING: 4559000 CPU: 14720.3, 0.00311299/step Wall: 14720.3, 0.00311299/step, 0.381342 hours remaining, 236.761719 MB of memory in use. ENERGY: 4559000 3977.9548 20348.5149 14532.4002 240.4837 -203485.2323 2477.0532 0.0000 0.0000 51915.9783 -109992.8473 298.3618 -161908.8255 -109629.0096 298.4681 -302.6628 -276.8228 762420.6161 2.2943 2.0368 PRESSURE: 4559200 -114.509 -111.392 -198.846 -111.392 -146.14 34.5062 -198.847 34.5062 -221.868 GPRESSURE: 4559200 -209.779 -116.07 -149.636 -58.6649 31.9097 40.8655 -150.605 -102.014 -216.704 PRESSAVG: 4559200 39.1493 -18.5684 -31.9172 -18.5683 -32.1622 -57.9633 -31.9172 -57.9633 -8.05964 GPRESSAVG: 4559200 38.8001 -18.7098 -33.1992 -17.5583 -32.7378 -57.7471 -29.4926 -60.2108 -7.15303 TIMING: 4559200 CPU: 14720.9, 0.0031231/step Wall: 14720.9, 0.0031231/step, 0.382406 hours remaining, 236.761719 MB of memory in use. ENERGY: 4559200 4046.1543 20467.9117 14480.1762 248.2991 -203426.7141 2246.3845 0.0000 0.0000 51886.5513 -110051.2369 298.1927 -161937.7882 -109694.2404 297.6725 -160.8391 -131.5243 762184.0639 -0.3575 -0.3636 PRESSURE: 4559400 -139.932 9.46178 260.742 9.4607 -126.717 -170.636 260.742 -170.637 -322.144 GPRESSURE: 4559400 -112.989 -31.6254 192.425 -0.964873 -141.572 -101.095 275.883 -170.151 -256.682 PRESSAVG: 4559400 -10.6991 -34.1091 -10.7182 -34.1091 2.01957 -9.20472 -10.7182 -9.20469 21.937 GPRESSAVG: 4559400 -10.402 -34.0341 -9.94875 -33.9635 1.0342 -7.58637 -11.7124 -9.54603 22.7554 TIMING: 4559400 CPU: 14721.6, 0.00312902/step Wall: 14721.6, 0.00312902/step, 0.382957 hours remaining, 236.761719 MB of memory in use. ENERGY: 4559400 3971.3777 20416.6381 14520.0815 252.1234 -203347.4174 2314.0030 0.0000 0.0000 51750.3292 -110122.8645 297.4099 -161873.1937 -109751.1962 297.9751 -196.2642 -170.4144 762131.8860 4.4192 4.4625 PRESSURE: 4559600 -93.3836 174.187 -139.822 174.187 -140.336 99.583 -139.823 99.5837 -13.1636 GPRESSURE: 4559600 -107.034 145.964 -171.184 156.792 -96.1547 153.318 -73.2084 24.962 14.4007 PRESSAVG: 4559600 0.750175 15.9759 4.49289 15.9759 -8.12151 -18.8574 4.49286 -18.8574 -4.79281 GPRESSAVG: 4559600 2.22775 15.1651 4.85744 13.5395 -8.09278 -20.3668 4.65006 -17.2531 -6.60856 TIMING: 4559600 CPU: 14722.2, 0.00312279/step Wall: 14722.2, 0.00312279/step, 0.382021 hours remaining, 236.761719 MB of memory in use. ENERGY: 4559600 4059.7708 20505.5492 14412.7366 257.1027 -203577.4630 2376.1871 0.0000 0.0000 51980.7227 -109985.3939 298.7339 -161966.1166 -109623.2900 298.0294 -82.2945 -62.9294 760686.5599 -4.0547 -4.1579 PRESSURE: 4559800 -53.6073 8.44223 -189.302 8.44174 -49.5572 -108.695 -189.301 -108.696 -98.6859 GPRESSURE: 4559800 6.97436 -9.12305 -227.637 10.929 -66.0097 -191.785 -150.689 -174.592 -52.5472 PRESSAVG: 4559800 81.8055 17.2189 21.8848 17.2188 -51.7836 1.40363 21.8847 1.40367 7.32161 GPRESSAVG: 4559800 81.4933 18.52 20.775 18.1037 -51.2915 0.231434 22.5331 0.737658 7.28842 TIMING: 4559800 CPU: 14722.8, 0.00309972/step Wall: 14722.8, 0.00309972/step, 0.379027 hours remaining, 236.761719 MB of memory in use. ENERGY: 4559800 4034.6780 20427.7437 14561.4058 240.3214 -203897.2354 2951.6977 0.0000 0.0000 51888.4555 -109792.9333 298.2037 -161681.3888 -109427.6790 299.2289 -67.2835 -37.1942 761315.3650 12.4478 12.4967 PRESSURE: 4560000 64.9436 37.6202 -92.346 37.6201 68.3546 -46.1758 -92.3458 -46.1757 -18.2136 GPRESSURE: 4560000 150.334 47.6646 -82.6677 131.775 133.999 -112.312 -120.46 -22.089 -72.3365 PRESSAVG: 4560000 -7.6145 6.87649 -37.7527 6.87642 28.4727 73.9596 -37.7527 73.9596 0.196632 GPRESSAVG: 4560000 -7.88162 7.00464 -35.5103 8.80159 28.103 73.6524 -39.9944 75.8309 1.24271 TIMING: 4560000 CPU: 14723.4, 0.00311391/step Wall: 14723.4, 0.00311391/step, 0.380589 hours remaining, 236.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4560000 4039.9256 20547.8245 14492.6372 251.0214 -203936.1896 2741.0212 0.0000 0.0000 51854.0783 -110009.6815 298.0061 -161863.7597 -109656.3991 298.8159 38.3615 70.6655 761301.5782 7.0183 7.1547 PRESSURE: 4560200 36.5599 13.6083 -21.0147 13.6076 -106.139 43.331 -21.0144 43.3307 100.078 GPRESSURE: 4560200 69.7355 -3.52653 -87.268 -75.3784 -63.7782 89.3716 90.4844 -120.031 113.241 PRESSAVG: 4560200 -35.3542 2.27582 11.0187 2.2758 -4.59508 0.759668 11.0187 0.759648 9.3561 GPRESSAVG: 4560200 -36.2421 0.0863908 10.2977 0.731544 -3.45356 1.44494 13.0506 -1.03129 8.7368 TIMING: 4560200 CPU: 14724.1, 0.00311599/step Wall: 14724.1, 0.00311599/step, 0.38067 hours remaining, 236.761719 MB of memory in use. ENERGY: 4560200 4010.2206 20547.6988 14483.0884 253.8563 -203968.6719 2840.8588 0.0000 0.0000 52038.5475 -109794.4015 299.0662 -161832.9490 -109427.9315 298.9410 10.1662 39.7327 762824.0153 -10.1977 -10.3196 LDB: ============= START OF LOAD BALANCING ============== 14736.5 LDB: ============== END OF LOAD BALANCING =============== 14736.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14736.5 LDB: ============= START OF LOAD BALANCING ============== 14736.8 LDB: Largest compute 7025 load 0.035554 is 18.2% of average load 0.195441 LDB: Average compute 0.004423 is 2.3% of average load 0.195441 LDB: TIME 14736.8 LOAD: AVG 0.195441 MAX 0.214304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.078 MB LDB: TIME 14736.8 LOAD: AVG 0.195441 MAX 0.214304 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 14736.8 LOAD: AVG 0.195441 MAX 0.214304 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 14736.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14736.8 PRESSURE: 4560400 -466.326 243.753 -52.0323 243.753 -34.4196 -107.568 -52.0323 -107.567 -620.953 GPRESSURE: 4560400 -399.871 174.813 7.67399 125.372 -82.6635 -88.3754 37.2816 -112.633 -557.048 PRESSAVG: 4560400 43.2107 26.8919 -38.2143 26.8919 -31.7084 -26.9076 -38.2143 -26.9075 -6.62996 GPRESSAVG: 4560400 44.3723 29.7765 -38.7307 25.7802 -33.7838 -27.028 -37.2453 -25.9709 -6.31577 TIMING: 4560400 CPU: 14724.7, 0.00319723/step Wall: 14724.7, 0.00319723/step, 0.390417 hours remaining, 234.113281 MB of memory in use. ENERGY: 4560400 4048.2000 20539.9651 14529.8926 237.8799 -203668.9448 2646.0166 0.0000 0.0000 51877.9456 -109789.0450 298.1433 -161666.9906 -109426.2853 298.8620 -373.8997 -346.5275 763658.1512 1.6241 1.4243 PRESSURE: 4560600 -84.0184 -150.689 71.3942 -150.689 -6.02827 170.636 71.3942 170.636 -250.452 GPRESSURE: 4560600 -66.5185 -114.31 105.811 -156.875 84.0201 187.97 -54.969 124.51 -263.161 PRESSAVG: 4560600 37.1724 -40.6315 -27.6639 -40.6315 -17.6321 -65.3815 -27.6639 -65.3816 -1.33894 GPRESSAVG: 4560600 35.9421 -40.8123 -25.7284 -41.243 -16.8981 -66.8802 -29.5658 -63.8169 -0.908043 TIMING: 4560600 CPU: 14725.3, 0.00310777/step Wall: 14725.3, 0.00310777/step, 0.379321 hours remaining, 234.113281 MB of memory in use. ENERGY: 4560600 3972.9204 20448.2595 14501.5001 244.6557 -203586.9585 2586.0126 0.0000 0.0000 51966.4629 -109867.1473 298.6520 -161833.6102 -109499.3155 298.4799 -113.4997 -81.8863 763577.4568 6.0671 6.0453 PRESSURE: 4560800 22.7653 -233.839 -98.1589 -233.84 40.0997 -90.2022 -98.1585 -90.202 -159.322 GPRESSURE: 4560800 33.8959 -212.98 -76.671 -255.867 74.3807 20.2597 -229.333 -52.937 -125.812 PRESSAVG: 4560800 14.7241 -29.7534 7.4614 -29.7533 -14.8576 -37.6797 7.46141 -37.6796 8.61821 GPRESSAVG: 4560800 14.6221 -31.943 5.88231 -28.3877 -13.913 -36.5662 7.07722 -38.952 8.1914 TIMING: 4560800 CPU: 14725.9, 0.00312117/step Wall: 14725.9, 0.00312117/step, 0.380783 hours remaining, 234.113281 MB of memory in use. ENERGY: 4560800 4015.1086 20363.9583 14560.0191 249.9150 -203547.3451 2542.6707 0.0000 0.0000 52026.5063 -109789.1671 298.9970 -161815.6734 -109434.1080 298.4208 -32.1525 -5.8452 761202.1972 2.8283 2.9669 PRESSURE: 4561000 -66.3521 -98.8091 121.903 -98.8082 -51.3549 -202.499 121.902 -202.499 289.095 GPRESSURE: 4561000 -0.940184 -90.7055 127.093 -43.6031 7.64653 -219.824 -19.8906 -232.559 248.807 PRESSAVG: 4561000 42.3377 -20.2939 22.6217 -20.2938 17.1779 -2.00872 22.6217 -2.00879 -12.5107 GPRESSAVG: 4561000 43.0573 -19.5756 22.4313 -20.8395 16.0036 -1.14223 21.8249 -2.86841 -11.8122 TIMING: 4561000 CPU: 14726.6, 0.00313558/step Wall: 14726.6, 0.00313558/step, 0.382367 hours remaining, 234.113281 MB of memory in use. ENERGY: 4561000 3920.1860 20498.1343 14455.2098 246.8223 -203651.2319 2636.5705 0.0000 0.0000 51997.6156 -109896.6934 298.8310 -161894.3090 -109536.3018 298.6109 57.1294 85.1712 762489.4986 15.6683 15.7496 PRESSURE: 4561200 -308.621 99.5048 131.921 99.5051 37.8328 -14.8118 131.921 -14.8116 -204.126 GPRESSURE: 4561200 -255.12 61.3619 202.133 57.2679 68.3236 5.63101 82.7865 -102.219 -188.252 PRESSAVG: 4561200 48.7953 -29.2139 -7.15171 -29.2138 -56.5161 -11.7501 -7.15173 -11.7501 7.59822 GPRESSAVG: 4561200 48.066 -28.8249 -5.70066 -28.5393 -56.4782 -11.8768 -6.33491 -10.0496 8.02986 TIMING: 4561200 CPU: 14727.2, 0.00312957/step Wall: 14727.2, 0.00312957/step, 0.38146 hours remaining, 234.316406 MB of memory in use. ENERGY: 4561200 3958.8432 20465.6428 14419.0581 252.6755 -203634.9452 2540.9376 0.0000 0.0000 52174.3282 -109823.4596 299.8466 -161997.7879 -109459.9063 298.4573 -158.3048 -125.0159 761693.6270 -0.0409 -0.1274 PRESSURE: 4561400 -79.1923 -55.1329 172.647 -55.1323 -115.749 40.9567 172.647 40.9569 -206.382 GPRESSURE: 4561400 -189.552 -198.232 159.661 -70.961 -6.55122 59.9355 98.4525 -50.3494 -131.732 PRESSAVG: 4561400 16.3217 -66.2701 23.7985 -66.2701 2.59212 23.8879 23.7987 23.888 -6.05545 GPRESSAVG: 4561400 15.9509 -68.7443 21.9361 -65.9635 3.37589 23.3824 24.5971 23.0848 -5.69681 TIMING: 4561400 CPU: 14727.8, 0.00314087/step Wall: 14727.8, 0.00314087/step, 0.382662 hours remaining, 234.316406 MB of memory in use. ENERGY: 4561400 4001.1587 20651.3156 14587.3632 227.2032 -202912.1847 1967.5612 0.0000 0.0000 51944.6110 -109532.9717 298.5264 -161477.5828 -109180.5903 299.4138 -133.7744 -109.2783 760656.2062 4.2861 4.5433 PRESSURE: 4561600 81.4077 20.043 -249.5 20.0422 37.6453 -175.601 -249.499 -175.601 189.71 GPRESSURE: 4561600 67.3789 100.844 -231.345 135.303 112.175 -168.227 -169.244 -166.629 196.696 PRESSAVG: 4561600 -11.3847 1.98256 -51.9055 1.98254 -8.15825 52.9973 -51.9054 52.9973 -7.50047 GPRESSAVG: 4561600 -10.8091 6.00606 -50.9426 0.297404 -8.93838 54.3615 -53.2149 53.4385 -7.59179 TIMING: 4561600 CPU: 14728.4, 0.00311878/step Wall: 14728.4, 0.00311878/step, 0.379798 hours remaining, 234.316406 MB of memory in use. ENERGY: 4561600 4020.9274 20647.4102 14561.0752 251.9814 -203616.2539 2673.5637 0.0000 0.0000 52070.1544 -109391.1417 299.2479 -161461.2960 -109036.7142 299.8034 102.9211 125.4168 761445.0437 -9.0145 -9.1131 PRESSURE: 4561800 303.245 223.722 -232.048 223.723 -173.101 94.6465 -232.048 94.6457 -233.141 GPRESSURE: 4561800 323.54 177.456 -152.461 200.784 -150.06 34.2099 -287.38 106.287 -170.457 PRESSAVG: 4561800 17.7511 35.2238 -4.44949 35.2237 -38.9055 19.2722 -4.44955 19.272 -4.3518 GPRESSAVG: 4561800 16.7191 33.4509 -4.73198 35.6003 -38.0603 18.9951 -3.68316 19.0655 -4.4005 TIMING: 4561800 CPU: 14729.1, 0.00312355/step Wall: 14729.1, 0.00312355/step, 0.380205 hours remaining, 234.316406 MB of memory in use. ENERGY: 4561800 3963.7115 20514.4906 14375.0343 241.1715 -203078.2169 2439.1217 0.0000 0.0000 52190.6679 -109354.0194 299.9405 -161544.6873 -108998.7662 299.5875 -34.3323 1.0079 763262.9835 -8.5021 -8.5806 PRESSURE: 4562000 -63.195 117.175 -115.489 117.175 9.96089 -80.0965 -115.489 -80.0951 34.5813 GPRESSURE: 4562000 -76.1302 146.78 -150.81 60.6809 36.8364 5.84077 24.9362 -66.1393 130.29 PRESSAVG: 4562000 10.7917 -13.6408 24.9882 -13.6408 -58.584 -31.9355 24.9882 -31.9355 -8.2084 GPRESSAVG: 4562000 12.581 -14.196 24.6957 -13.2455 -58.9176 -30.4783 26.0629 -33.2273 -9.19438 TIMING: 4562000 CPU: 14729.7, 0.00312861/step Wall: 14729.7, 0.00312861/step, 0.380647 hours remaining, 234.316406 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: 4562000 3944.2576 20584.0647 14479.2486 246.9472 -203146.5822 2296.0124 0.0000 0.0000 52139.0479 -109457.0039 299.6438 -161596.0518 -109090.8971 299.4813 -6.2176 30.3322 760814.5006 -18.6669 -18.5103 PRESSURE: 4562200 255.602 -247.265 -3.77493 -247.265 74.5935 201.398 -3.77562 201.399 212.896 GPRESSURE: 4562200 288.755 -227.609 -49.2673 -251.92 107.803 176.788 11.8428 95.0296 246.762 PRESSAVG: 4562200 35.0304 -35.049 14.6504 -35.049 -55.2637 1.35315 14.6504 1.35321 4.80404 GPRESSAVG: 4562200 33.1122 -33.7953 15.0481 -36.1405 -54.4326 1.29433 15.1481 1.28046 5.4284 TIMING: 4562200 CPU: 14730.3, 0.00314684/step Wall: 14730.3, 0.00314684/step, 0.382691 hours remaining, 234.316406 MB of memory in use. ENERGY: 4562200 3987.9316 20436.1772 14466.0631 245.4452 -203131.0424 2415.1294 0.0000 0.0000 52003.0474 -109577.2485 298.8622 -161580.2959 -109219.0013 298.8969 181.0305 214.4402 759998.7612 -5.1431 -5.2973 PRESSURE: 4562400 197.681 158.098 -79.9678 158.098 -174.558 63.5689 -79.9675 63.5689 -59.7355 GPRESSURE: 4562400 273.619 52.993 -126.727 137.898 -138.272 8.82354 -173.841 42.1793 -87.0084 PRESSAVG: 4562400 74.587 -1.55509 -11.9191 -1.55511 -60.0112 17.3248 -11.9191 17.3248 9.79306 GPRESSAVG: 4562400 75.5089 -3.24582 -11.9356 -0.485488 -60.2573 18.5077 -13.7158 17.2088 9.0062 TIMING: 4562400 CPU: 14731, 0.00313494/step Wall: 14731, 0.00313494/step, 0.381069 hours remaining, 234.316406 MB of memory in use. ENERGY: 4562400 3940.9942 20452.7000 14510.0043 261.8302 -203086.1313 2378.2233 0.0000 0.0000 51921.0390 -109621.3403 298.3909 -161542.3794 -109249.8812 298.9569 -12.2042 16.1127 761319.6353 8.1230 8.0859 PRESSURE: 4562600 -135.529 -183.198 41.7058 -183.198 344.665 327.343 41.7053 327.344 91.6981 GPRESSURE: 4562600 -6.82319 -140.27 81.222 -137.456 287.387 357.347 118.093 262.22 101.811 PRESSAVG: 4562600 30.7639 -44.9306 -33.8178 -44.9306 -36.3949 4.47236 -33.8178 4.47231 5.15977 GPRESSAVG: 4562600 29.1759 -43.9724 -33.5023 -46.8756 -37.0292 3.0249 -32.0439 5.13608 7.05934 TIMING: 4562600 CPU: 14731.6, 0.00312106/step Wall: 14731.6, 0.00312106/step, 0.379209 hours remaining, 234.316406 MB of memory in use. ENERGY: 4562600 4058.7508 20399.4219 14417.4178 248.6122 -203499.3167 2782.1420 0.0000 0.0000 51858.3661 -109734.6059 298.0307 -161592.9720 -109378.8572 298.4657 100.2781 127.4581 760752.4856 -0.1571 -0.2647 PRESSURE: 4562800 214.715 -24.8078 -76.4956 -24.8075 402.962 128.479 -76.4957 128.479 107.326 GPRESSURE: 4562800 225.772 -34.1334 -95.9471 -137.635 438.521 164.74 -60.1044 100.895 138.025 PRESSAVG: 4562800 18.0401 -39.9894 -32.604 -39.9894 -19.8332 27.6234 -32.604 27.6234 -43.8528 GPRESSAVG: 4562800 19.3965 -40.4373 -32.1852 -37.5807 -22.0579 25.6221 -32.7672 27.7405 -43.2983 TIMING: 4562800 CPU: 14732.2, 0.00312885/step Wall: 14732.2, 0.00312885/step, 0.379982 hours remaining, 234.316406 MB of memory in use. ENERGY: 4562800 3929.8507 20474.0401 14432.4115 236.1645 -203375.2077 2630.7531 0.0000 0.0000 51949.4877 -109722.5002 298.5544 -161671.9879 -109361.6719 298.6239 241.6677 267.4391 761446.1948 -15.2153 -15.3199 PRESSURE: 4563000 -15.5036 160.382 2.79837 160.382 -8.1789 -290.831 2.79899 -290.831 -76.0255 GPRESSURE: 4563000 47.0537 165.86 62.8145 176.921 33.282 -329.043 94.9606 -312.596 -88.0879 PRESSAVG: 4563000 -43.2073 -8.12966 -36.0505 -8.12966 65.6356 -21.541 -36.0505 -21.5411 28.026 GPRESSAVG: 4563000 -43.8906 -7.99241 -36.4043 -8.77454 67.0158 -20.9681 -37.8799 -19.4967 26.841 TIMING: 4563000 CPU: 14732.8, 0.00311125/step Wall: 14732.8, 0.00311125/step, 0.377671 hours remaining, 234.316406 MB of memory in use. ENERGY: 4563000 3876.0240 20456.6384 14410.2159 231.8371 -202793.5189 2255.1454 0.0000 0.0000 52077.9356 -109485.7226 299.2926 -161563.6582 -109131.6839 298.7093 -33.2360 -2.5841 760163.9272 16.8181 16.6554 PRESSURE: 4563200 132.623 62.5999 -12.6185 62.599 90.0967 -219.228 -12.6178 -219.229 23.8138 GPRESSURE: 4563200 170.986 22.4478 -64.0606 -59.9566 130.606 -227.094 17.0318 -197.718 46.7441 PRESSAVG: 4563200 -9.71268 -46.4873 -55.6027 -46.4873 -22.5077 -12.7598 -55.6026 -12.7598 -11.7871 GPRESSAVG: 4563200 -9.41834 -47.2797 -56.0576 -46.9044 -21.6923 -11.7839 -54.3333 -16.4008 -12.9275 TIMING: 4563200 CPU: 14733.5, 0.00312166/step Wall: 14733.5, 0.00312166/step, 0.378762 hours remaining, 234.316406 MB of memory in use. ENERGY: 4563200 3968.8863 20390.6874 14445.5979 250.8512 -203310.2876 2692.7690 0.0000 0.0000 52084.8833 -109476.6126 299.3325 -161561.4958 -109122.7066 298.7400 82.1778 116.1120 760385.2810 -14.6692 -14.6794 PRESSURE: 4563400 -222.1 -164.605 180.592 -164.605 -124.627 -66.8607 180.592 -66.8609 -102.919 GPRESSURE: 4563400 -205.048 -167.261 123.036 -158.613 -46.5058 -108.492 65.9383 -64.8461 -114.163 PRESSAVG: 4563400 -0.458777 -17.845 -17.2452 -17.8449 -14.2406 -7.33076 -17.2453 -7.33075 5.36415 GPRESSAVG: 4563400 -1.5935 -15.5728 -16.6953 -18.4545 -14.3904 -8.90459 -17.4275 -5.84965 5.69182 TIMING: 4563400 CPU: 14734.1, 0.00313659/step Wall: 14734.1, 0.00313659/step, 0.380399 hours remaining, 234.316406 MB of memory in use. ENERGY: 4563400 3964.5764 20587.4484 14446.9043 243.4693 -202776.6702 2192.4927 0.0000 0.0000 51947.1239 -109394.6551 298.5408 -161341.7790 -109043.9529 299.1093 -149.8823 -121.9058 760886.3971 -3.1117 -3.4307 PRESSURE: 4563600 -193.212 -60.4807 -81.9272 -60.4808 -19.6633 0.717649 -81.9273 0.718006 -72.8769 GPRESSURE: 4563600 -151.288 -203.797 -74.156 27.3865 33.1095 66.0922 -84.1236 -40.5207 -108.532 PRESSAVG: 4563600 49.307 -47.476 -25.7544 -47.476 28.7642 16.9601 -25.7544 16.9601 4.19154 GPRESSAVG: 4563600 50.8223 -47.5683 -23.1275 -48.3815 27.4454 17.9437 -26.5591 17.256 4.04765 TIMING: 4563600 CPU: 14734.7, 0.00310519/step Wall: 14734.7, 0.00310519/step, 0.376418 hours remaining, 234.316406 MB of memory in use. ENERGY: 4563600 3975.6855 20479.1501 14542.9456 235.3114 -203353.4900 2439.7458 0.0000 0.0000 52409.8304 -109270.8213 301.2000 -161680.6517 -108906.3623 299.4177 -95.2506 -75.5702 759625.9572 27.4209 27.4385 PRESSURE: 4563800 -282.452 -141.111 -148.774 -141.111 92.9213 394.215 -148.774 394.216 352.681 GPRESSURE: 4563800 -205.375 -87.5464 -219.376 -131.277 122.084 195.363 21.2471 362.69 333.697 PRESSAVG: 4563800 30.7318 -71.1547 -29.1768 -71.1547 -11.6505 31.9691 -29.1768 31.9692 0.631189 GPRESSAVG: 4563800 30.2929 -72.5178 -30.8305 -70.374 -12.1543 30.8796 -27.0627 33.7465 1.0667 TIMING: 4563800 CPU: 14735.3, 0.00311675/step Wall: 14735.3, 0.00311675/step, 0.377646 hours remaining, 234.316406 MB of memory in use. ENERGY: 4563800 3925.7826 20518.6055 14457.4811 228.4900 -203090.8697 2454.9709 0.0000 0.0000 51952.6941 -109552.8455 298.5728 -161505.5396 -109188.2871 299.5554 54.3834 83.4687 760824.9354 6.5708 6.4018 PRESSURE: 4564000 -104.073 -115.756 3.38428 -115.757 -150.278 114.201 3.3836 114.201 -231.592 GPRESSURE: 4564000 -31.5993 -42.3273 -7.97349 -61.5297 -98.3203 233.673 -0.376685 53.4795 -259.787 PRESSAVG: 4564000 -26.1499 -60.8929 21.8564 -60.8929 13.4003 52.7826 21.8563 52.7827 14.3731 GPRESSAVG: 4564000 -26.081 -59.2203 20.6213 -61.5684 14.5281 55.2774 22.254 50.1557 13.4132 TIMING: 4564000 CPU: 14735.9, 0.00312474/step Wall: 14735.9, 0.00312474/step, 0.378441 hours remaining, 234.316406 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: 4564000 3942.4318 20498.4310 14526.3339 253.9095 -203082.2673 2163.4888 0.0000 0.0000 52051.4721 -109646.2000 299.1405 -161697.6722 -109285.8550 298.7452 -161.9808 -129.9023 761526.8669 0.5412 0.6201 PRESSURE: 4564200 -299.812 3.22482 -33.9819 3.22497 -207.855 80.839 -33.982 80.8397 165.458 GPRESSURE: 4564200 -216.918 -15.6989 -68.3013 -61.2963 -198.741 6.0352 74.7456 120.736 167.899 PRESSAVG: 4564200 -11.8021 -42.5478 -14.2451 -42.5478 57.7862 22.7546 -14.2451 22.7546 -20.3328 GPRESSAVG: 4564200 -12.093 -43.0364 -13.2748 -42.5716 57.1859 20.2982 -16.2949 24.2537 -19.4882 TIMING: 4564200 CPU: 14736.6, 0.00313378/step Wall: 14736.6, 0.00313378/step, 0.379361 hours remaining, 234.316406 MB of memory in use. ENERGY: 4564200 3996.3125 20499.8722 14478.6539 230.1931 -203106.9147 2243.8611 0.0000 0.0000 51876.9491 -109781.0728 298.1375 -161658.0220 -109428.2279 298.8046 -114.0696 -82.5868 760327.0122 8.5504 8.5349 LDB: ============= START OF LOAD BALANCING ============== 14749 LDB: ============== END OF LOAD BALANCING =============== 14749 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14749 LDB: ============= START OF LOAD BALANCING ============== 14749.3 LDB: Largest compute 7025 load 0.033140 is 17.0% of average load 0.195486 LDB: Average compute 0.004400 is 2.3% of average load 0.195486 LDB: TIME 14749.3 LOAD: AVG 0.195486 MAX 0.215079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14749.3 LOAD: AVG 0.195486 MAX 0.215079 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 14749.3 LOAD: AVG 0.195486 MAX 0.215079 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 14749.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14749.3 PRESSURE: 4564400 604.895 -44.139 170.366 -44.1392 68.4836 -17.6708 170.366 -17.6706 345.689 GPRESSURE: 4564400 644.325 -30.5989 129.95 -10.1135 82.4654 -14.6009 218.847 136.749 367.012 PRESSAVG: 4564400 57.5897 34.9095 -1.73274 34.9094 -61.3641 34.7822 -1.73279 34.7821 28.4974 GPRESSAVG: 4564400 57.6392 34.7695 -2.04934 35.3387 -61.6092 34.0326 0.00394211 35.683 29.3165 TIMING: 4564400 CPU: 14737.2, 0.0032194/step Wall: 14737.2, 0.0032194/step, 0.389548 hours remaining, 236.292969 MB of memory in use. ENERGY: 4564400 3964.7493 20596.0774 14471.0722 239.9102 -203692.6610 2750.1422 0.0000 0.0000 51866.8106 -109803.8991 298.0793 -161670.7096 -109439.6652 298.3717 339.6891 364.6009 758772.4559 8.2410 8.4488 PRESSURE: 4564600 -6.04178 77.4154 76.9968 77.4152 -85.3029 329.957 76.9961 329.957 -79.4242 GPRESSURE: 4564600 25.8899 74.7037 62.4739 -41.328 -10.3371 336.962 -8.88181 232.939 -90.3889 PRESSAVG: 4564600 56.6765 -10.1074 -25.9044 -10.1074 6.54201 52.7918 -25.9044 52.7919 10.567 GPRESSAVG: 4564600 57.8516 -8.46719 -26.3499 -10.2649 7.18457 53.4883 -25.1744 51.3285 9.68673 TIMING: 4564600 CPU: 14737.8, 0.0031099/step Wall: 14737.8, 0.0031099/step, 0.376125 hours remaining, 236.636719 MB of memory in use. ENERGY: 4564600 3943.6953 20392.9201 14489.5869 239.8658 -203268.0492 2459.6123 0.0000 0.0000 52119.2123 -109623.1565 299.5298 -161742.3688 -109253.6908 298.5681 -56.9230 -24.9454 759860.8657 24.5952 24.9076 PRESSURE: 4564800 -240.399 195.277 -91.0519 195.276 -211.402 -188.637 -91.0515 -188.638 219.731 GPRESSURE: 4564800 -128.683 74.6966 22.0301 155.795 -169.687 -222.239 -186.469 -132.701 150.211 PRESSAVG: 4564800 -8.60913 -20.2488 -27.3136 -20.2489 -50.2627 45.2089 -27.3136 45.2088 11.8762 GPRESSAVG: 4564800 -8.91019 -23.2101 -26.7204 -19.8246 -49.9443 44.845 -28.2831 45.1649 11.51 TIMING: 4564800 CPU: 14738.5, 0.00313478/step Wall: 14738.5, 0.00313478/step, 0.37896 hours remaining, 236.636719 MB of memory in use. ENERGY: 4564800 3958.2071 20427.3065 14484.8620 255.8337 -202774.7324 2203.2677 0.0000 0.0000 51866.3933 -109578.8621 298.0769 -161445.2553 -109219.3225 299.1927 -77.3569 -49.3862 759918.8985 -15.6652 -15.7815 PRESSURE: 4565000 -446.598 83.1975 72.6869 83.1976 -244.248 -53.4971 72.6866 -53.4963 -127.1 GPRESSURE: 4565000 -366.722 132.98 99.2127 76.8314 -202.243 -111.909 38.9781 -117.651 -152.907 PRESSAVG: 4565000 31.6473 -40.5579 -42.1373 -40.5579 -0.0142537 -29.8257 -42.1373 -29.8256 16.2995 GPRESSAVG: 4565000 30.6325 -39.1264 -42.1075 -40.6186 0.158257 -28.5878 -41.9138 -29.9106 16.7277 TIMING: 4565000 CPU: 14739.1, 0.00313244/step Wall: 14739.1, 0.00313244/step, 0.378503 hours remaining, 236.636719 MB of memory in use. ENERGY: 4565000 3929.4060 20343.7194 14474.6974 255.3996 -203064.9040 2168.8504 0.0000 0.0000 52219.7233 -109673.1079 300.1075 -161892.8312 -109310.0564 298.9751 -272.6490 -240.6242 760408.4460 15.9775 15.8395 PRESSURE: 4565200 -108.137 101.234 57.6751 101.234 293.045 -92.8305 57.6746 -92.8308 305.337 GPRESSURE: 4565200 -30.9275 119.209 104.043 122.25 235.413 -92.9193 105.636 -99.0968 368.59 PRESSAVG: 4565200 14.5207 16.1736 -40.7177 16.1736 -76.0286 40.4009 -40.7177 40.4008 5.57449 GPRESSAVG: 4565200 14.0779 16.0677 -39.2262 13.6971 -75.1951 39.2503 -41.8948 41.4205 4.72623 TIMING: 4565200 CPU: 14739.7, 0.00314883/step Wall: 14739.7, 0.00314883/step, 0.380309 hours remaining, 236.636719 MB of memory in use. ENERGY: 4565200 3931.1542 20302.6157 14449.6394 258.6260 -203433.6746 2643.3087 0.0000 0.0000 52153.5714 -109694.7593 299.7273 -161848.3306 -109315.7162 298.5588 163.4149 191.0254 759869.4287 -18.6445 -18.7970 PRESSURE: 4565400 -142.455 -116.152 -2.35308 -116.152 -144.425 6.94356 -2.35344 6.94369 -76.0582 GPRESSURE: 4565400 -33.2483 -106.045 20.5887 -66.7662 -140.167 47.7933 78.9823 -11.1031 -74.5453 PRESSAVG: 4565400 -22.7235 -5.54803 -22.388 -5.54805 21.426 58.3514 -22.388 58.3515 0.829605 GPRESSAVG: 4565400 -22.9522 -5.68543 -22.4811 -4.57759 21.2778 58.578 -22.0496 56.4601 1.74297 TIMING: 4565400 CPU: 14740.4, 0.00314972/step Wall: 14740.4, 0.00314972/step, 0.380242 hours remaining, 236.636719 MB of memory in use. ENERGY: 4565400 4005.2467 20664.4621 14486.7723 242.0580 -203391.8720 2368.1134 0.0000 0.0000 52186.7935 -109438.4260 299.9182 -161625.2195 -109075.6337 299.0959 -120.9793 -82.6536 758187.4442 -0.1560 0.0229 PRESSURE: 4565600 -75.0967 121.962 144.335 121.962 84.447 103.87 144.335 103.87 47.1386 GPRESSURE: 4565600 4.71587 102.029 39.5637 91.7978 141.135 61.9298 89.8719 197.29 -2.34539 PRESSAVG: 4565600 50.5301 16.7488 10.5129 16.7488 -16.9822 -39.6513 10.513 -39.6512 -2.96568 GPRESSAVG: 4565600 51.6689 17.3028 7.92168 19.0881 -18.2648 -39.9628 11.2885 -38.5221 -2.83847 TIMING: 4565600 CPU: 14741, 0.00313042/step Wall: 14741, 0.00313042/step, 0.377738 hours remaining, 236.636719 MB of memory in use. ENERGY: 4565600 4010.6115 20627.7823 14569.5357 250.5068 -202912.3240 2183.5860 0.0000 0.0000 51876.8289 -109393.4727 298.1368 -161270.3016 -109040.0599 299.3886 18.8297 47.8353 759279.3147 10.1941 10.1885 PRESSURE: 4565800 -49.7733 201.794 -86.2936 201.793 91.7008 218.005 -86.2943 218.004 80.4866 GPRESSURE: 4565800 5.07892 141.801 -113.604 258.595 28.8647 186.081 -0.458648 157.586 167.904 PRESSAVG: 4565800 -0.740592 -21.8106 -27.0586 -21.8106 21.0007 -11.9689 -27.0586 -11.9689 0.244821 GPRESSAVG: 4565800 -2.58213 -23.7486 -26.1146 -23.9606 21.5101 -12.2112 -26.8711 -10.5042 1.14229 TIMING: 4565800 CPU: 14741.6, 0.00314743/step Wall: 14741.6, 0.00314743/step, 0.379615 hours remaining, 236.636719 MB of memory in use. ENERGY: 4565800 3962.2064 20403.2828 14510.5562 242.6428 -203463.7336 2478.4867 0.0000 0.0000 51934.7672 -109931.7915 298.4698 -161866.5587 -109557.7709 298.4536 40.8047 67.2827 758904.3728 6.8350 6.6901 PRESSURE: 4566000 394.766 -10.2808 235.225 -10.2815 -94.0733 -126.645 235.226 -126.645 89.9451 GPRESSURE: 4566000 434.825 38.4129 382.286 -11.0116 -79.535 -149.933 138.955 -15.8563 130.717 PRESSAVG: 4566000 -7.02089 25.5115 -29.5415 25.5115 6.48441 9.37843 -29.5415 9.3784 15.4982 GPRESSAVG: 4566000 -6.48894 26.0371 -28.801 26.2204 7.08713 9.06706 -28.1075 7.32962 14.8279 TIMING: 4566000 CPU: 14742.2, 0.00311921/step Wall: 14742.2, 0.00311921/step, 0.376038 hours remaining, 236.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4566000 3960.6075 20557.8439 14448.0318 240.9736 -203549.0711 2507.8558 0.0000 0.0000 51915.9428 -109917.8156 298.3616 -161833.7585 -109561.9368 298.0164 130.2126 162.0026 760235.6805 4.9872 5.1420 PRESSURE: 4566200 -64.9859 67.4875 27.0902 67.487 -101.103 -135.134 27.0894 -135.134 342.637 GPRESSURE: 4566200 28.7646 26.7167 -21.4987 141.059 -156.518 -111.708 15.415 -42.1405 370.064 PRESSAVG: 4566200 15.131 22.9528 -1.48643 22.9528 -62.4937 24.3361 -1.48637 24.336 22.9035 GPRESSAVG: 4566200 14.7204 22.3752 -2.73212 23.9312 -62.5197 26.513 -2.76386 25.443 22.6761 TIMING: 4566200 CPU: 14742.9, 0.00315744/step Wall: 14742.9, 0.00315744/step, 0.380471 hours remaining, 236.636719 MB of memory in use. ENERGY: 4566200 4016.2061 20387.7110 14436.6844 266.5169 -203669.7244 2608.2086 0.0000 0.0000 52173.8812 -109780.5164 299.8440 -161954.3975 -109419.9754 298.4772 58.8494 80.7703 759573.5610 -8.1530 -8.3744 PRESSURE: 4566400 159.891 -43.303 136.302 -43.3034 58.4811 -82.8594 136.302 -82.8593 114.572 GPRESSURE: 4566400 156.126 -31.9212 110.739 -72.0783 104.753 -146.99 73.8139 -142.047 181.612 PRESSAVG: 4566400 10.6279 8.20555 9.03965 8.20563 -25.5941 -18.3282 9.0397 -18.3282 4.60198 GPRESSAVG: 4566400 10.1915 9.69913 10.5676 6.97637 -24.6184 -20.3877 6.13527 -18.6406 4.67814 TIMING: 4566400 CPU: 14743.5, 0.00314168/step Wall: 14743.5, 0.00314168/step, 0.378398 hours remaining, 236.636719 MB of memory in use. ENERGY: 4566400 3954.6120 20543.9909 14409.7330 249.8177 -203209.1650 2287.2189 0.0000 0.0000 51794.1040 -109969.6885 297.6614 -161763.7924 -109612.8099 298.6781 110.9812 147.4970 761815.2407 -3.4548 -3.2496 PRESSURE: 4566600 -147.69 -197.024 -17.9121 -197.024 107.923 119.847 -17.912 119.847 2.14837 GPRESSURE: 4566600 -67.7871 -105.669 -48.1574 -115.682 77.2098 100.625 83.8435 120.214 25.8305 PRESSAVG: 4566600 31.2969 20.2774 10.7077 20.2773 -50.1478 -5.95332 10.7077 -5.95332 -12.1984 GPRESSAVG: 4566600 32.2959 21.839 10.6558 20.6503 -51.1514 -4.85323 12.8052 -6.80452 -12.357 TIMING: 4566600 CPU: 14744.1, 0.003174/step Wall: 14744.1, 0.003174/step, 0.382115 hours remaining, 236.636719 MB of memory in use. ENERGY: 4566600 3908.3160 20547.8715 14587.1404 253.8703 -203896.4847 2705.3767 0.0000 0.0000 51942.6510 -109951.2588 298.5151 -161893.9098 -109590.5882 298.7892 -12.5395 11.7511 760463.8507 -10.3498 -10.4042 PRESSURE: 4566800 -227.304 -67.6663 -66.7785 -67.6658 -123.49 35.6002 -66.7786 35.6007 -161.286 GPRESSURE: 4566800 -286.766 -25.7677 -171.469 -1.49145 -71.4094 -22.0976 -176.08 137.118 -40.3494 PRESSAVG: 4566800 -17.7249 16.0495 -10.8181 16.0494 34.702 -23.3587 -10.8181 -23.3587 12.4859 GPRESSAVG: 4566800 -17.6284 14.4829 -11.5145 16.8483 34.3654 -23.3969 -9.87295 -23.7114 12.5031 TIMING: 4566800 CPU: 14744.8, 0.00312703/step Wall: 14744.8, 0.00312703/step, 0.376286 hours remaining, 236.636719 MB of memory in use. ENERGY: 4566800 3984.0769 20428.3373 14526.5294 256.0966 -203319.4052 2466.7239 0.0000 0.0000 51907.2717 -109750.3694 298.3118 -161657.6411 -109396.1636 298.2987 -170.6934 -132.8416 761738.8308 9.8210 9.7467 PRESSURE: 4567000 -313.084 -80.424 173.83 -80.4237 -154.002 -189.429 173.829 -189.428 -26.3866 GPRESSURE: 4567000 -187.058 -93.4863 192.929 -255.409 -228.183 -211.949 194.459 -117.223 -2.12284 PRESSAVG: 4567000 50.781 7.76388 -5.82962 7.76393 -7.22636 -70.9325 -5.8296 -70.9324 -5.1246 GPRESSAVG: 4567000 49.8428 7.82588 -6.71214 7.44555 -6.52307 -70.2075 -5.97566 -71.6661 -4.61511 TIMING: 4567000 CPU: 14745.4, 0.0031469/step Wall: 14745.4, 0.0031469/step, 0.378503 hours remaining, 236.636719 MB of memory in use. ENERGY: 4567000 3946.7674 20486.4037 14509.4314 278.7152 -203267.7727 2445.2666 0.0000 0.0000 52002.3685 -109598.8199 298.8583 -161601.1884 -109223.9815 298.6234 -164.4906 -139.1213 761569.7349 12.8100 12.9016 PRESSURE: 4567200 64.3041 -19.2411 -22.3846 -19.2418 14.3719 9.77514 -22.3848 9.77492 -90.9325 GPRESSURE: 4567200 115.169 -33.1626 -54.1477 -80.7636 95.1246 -55.915 -67.896 95.8031 -123.623 PRESSAVG: 4567200 42.4925 10.5209 32.4983 10.5208 -48.1478 24.3389 32.4984 24.3388 -5.37246 GPRESSAVG: 4567200 43.3844 10.153 34.1582 11.1884 -48.9377 23.1735 30.4804 25.6378 -5.38353 TIMING: 4567200 CPU: 14746, 0.00313033/step Wall: 14746, 0.00313033/step, 0.376335 hours remaining, 236.636719 MB of memory in use. ENERGY: 4567200 3989.1248 20386.1498 14443.2331 252.9751 -202944.4477 2418.1742 0.0000 0.0000 52028.6473 -109426.1435 299.0094 -161454.7907 -109073.6188 298.8558 -4.0855 28.8902 760608.9371 -3.6759 -3.6456 PRESSURE: 4567400 -192.34 72.1878 -102.141 72.187 -10.9253 304.854 -102.141 304.855 -18.3068 GPRESSURE: 4567400 -89.7434 5.61809 -54.4883 37.327 -81.1171 291.682 -143.13 222.956 32.142 PRESSAVG: 4567400 46.2316 21.633 -4.54728 21.633 7.24365 20.7689 -4.54724 20.769 29.1689 GPRESSAVG: 4567400 46.5416 21.8085 -6.62873 19.9046 8.34657 21.1123 -2.14662 20.3854 27.6274 TIMING: 4567400 CPU: 14746.6, 0.00311619/step Wall: 14746.6, 0.00311619/step, 0.374462 hours remaining, 236.636719 MB of memory in use. ENERGY: 4567400 3974.5445 20560.1631 14470.4776 255.1915 -203275.7546 2630.2455 0.0000 0.0000 51983.1708 -109401.9617 298.7480 -161385.1324 -109051.3790 299.4532 -73.8573 -46.2395 760813.2594 27.5480 27.5052 PRESSURE: 4567600 -62.567 37.5426 -76.4945 37.5424 -581.965 65.7338 -76.4954 65.7322 -131.764 GPRESSURE: 4567600 -104.008 -16.4083 -129.194 61.6072 -479.921 10.4053 -92.1124 -80.4089 -123.964 PRESSAVG: 4567600 29.2857 56.9995 -23.3898 56.9995 -28.6551 1.24008 -23.3897 1.24009 -2.08299 GPRESSAVG: 4567600 29.3485 55.4761 -22.3615 58.6794 -30.783 1.79294 -24.8552 -0.371993 -0.489897 TIMING: 4567600 CPU: 14747.3, 0.003125/step Wall: 14747.3, 0.003125/step, 0.375347 hours remaining, 236.636719 MB of memory in use. ENERGY: 4567600 3899.0582 20580.3030 14417.8652 262.5800 -202621.8416 1916.9533 0.0000 0.0000 52229.3434 -109315.7385 300.1628 -161545.0819 -108955.7851 299.0757 -258.7652 -235.9646 762789.2655 -0.4841 -0.6415 PRESSURE: 4567800 70.4363 70.0647 -41.4827 70.0642 -385.334 156.71 -41.4827 156.71 71.6793 GPRESSURE: 4567800 19.7052 -13.473 68.6412 62.7734 -278.346 85.7661 -131.248 155.002 99.6625 PRESSAVG: 4567800 59.9915 7.63724 -3.23802 7.63718 -35.9613 19.709 -3.23812 19.7091 -21.9765 GPRESSAVG: 4567800 58.7573 9.40955 -2.31689 6.23862 -33.8967 17.6485 -1.70881 21.1997 -22.9624 TIMING: 4567800 CPU: 14747.9, 0.00313227/step Wall: 14747.9, 0.00313227/step, 0.376047 hours remaining, 236.636719 MB of memory in use. ENERGY: 4567800 3968.1821 20433.3913 14474.8842 232.5643 -203014.2391 2381.8345 0.0000 0.0000 52178.2040 -109345.1787 299.8689 -161523.3827 -108985.6207 299.2329 -81.0730 -52.9927 761525.5237 0.6846 0.6327 PRESSURE: 4568000 65.1964 -48.9134 -76.6756 -48.9134 -436.291 -173.337 -76.6754 -173.337 -246.739 GPRESSURE: 4568000 42.4817 134.039 -95.8881 -117.166 -367.032 -29.9779 14.2717 -136.855 -199.787 PRESSAVG: 4568000 49.7243 27.3317 8.56311 27.3317 -51.1416 -5.39426 8.56306 -5.39423 3.72509 GPRESSAVG: 4568000 50.0134 28.6771 6.75738 27.037 -50.591 -5.95383 8.93359 -5.59959 2.76468 TIMING: 4568000 CPU: 14748.5, 0.0031301/step Wall: 14748.5, 0.0031301/step, 0.375612 hours remaining, 236.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4568000 3960.4088 20621.4310 14470.2069 254.1051 -203190.9686 2561.5065 0.0000 0.0000 51994.8422 -109328.4680 298.8151 -161323.3103 -108978.1384 299.8404 -205.9446 -174.7792 760711.0468 0.7693 0.7290 PRESSURE: 4568200 0.560895 -186.966 -0.0775618 -186.965 -342.948 114.7 -0.0769896 114.701 -25.3486 GPRESSURE: 4568200 59.3739 -24.2683 113.073 -154.095 -285.57 132.95 -11.2566 86.5389 -56.4134 PRESSAVG: 4568200 48.4907 19.0429 -20.743 19.0429 -59.7475 -2.901 -20.7429 -2.90108 -16.8085 GPRESSAVG: 4568200 48.3723 17.4207 -18.9784 20.0146 -59.9263 -0.112695 -21.727 -0.677612 -16.2918 TIMING: 4568200 CPU: 14749.1, 0.00310105/step Wall: 14749.1, 0.00310105/step, 0.371954 hours remaining, 236.636719 MB of memory in use. ENERGY: 4568200 3863.0227 20655.4107 14438.3510 254.3111 -203236.2109 2303.3834 0.0000 0.0000 52383.5550 -109338.1770 301.0490 -161721.7320 -108959.1396 300.2413 -122.5785 -94.2032 760638.9634 -9.3551 -9.2819 LDB: ============= START OF LOAD BALANCING ============== 14761.5 LDB: ============== END OF LOAD BALANCING =============== 14761.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14761.5 LDB: ============= START OF LOAD BALANCING ============== 14761.9 LDB: Largest compute 7064 load 0.032068 is 16.4% of average load 0.195470 LDB: Average compute 0.004394 is 2.2% of average load 0.195470 LDB: TIME 14761.9 LOAD: AVG 0.19547 MAX 0.214381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14761.9 LOAD: AVG 0.19547 MAX 0.214381 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 14761.9 LOAD: AVG 0.19547 MAX 0.214381 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 14761.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14761.9 PRESSURE: 4568400 -385.758 365.324 70.8476 365.324 -378.361 41.7931 70.8476 41.7944 -371.151 GPRESSURE: 4568400 -310.315 247.147 104.777 241.373 -364.267 104.792 99.644 -30.5926 -375.653 PRESSAVG: 4568400 34.0312 65.45 -27.1748 65.45 -31.6471 43.7187 -27.1749 43.7187 11.0152 GPRESSAVG: 4568400 33.238 64.5966 -27.6206 66.1836 -30.5628 41.7713 -25.5805 40.0153 10.6597 TIMING: 4568400 CPU: 14749.8, 0.00319267/step Wall: 14749.8, 0.00319267/step, 0.382766 hours remaining, 235.968750 MB of memory in use. ENERGY: 4568400 3999.0874 20608.0763 14403.5839 237.8881 -202435.5705 1968.6344 0.0000 0.0000 52002.2898 -109216.0106 298.8579 -161218.3004 -108856.9217 299.7227 -378.4232 -350.0784 762412.3945 4.4664 4.4450 PRESSURE: 4568600 112.289 -18.9524 -81.8679 -18.9523 -93.9421 -36.9064 -81.868 -36.9067 -205.857 GPRESSURE: 4568600 159.164 -28.8271 -170.809 96.3757 -16.5069 -72.5073 -128.585 24.8062 -223.583 PRESSAVG: 4568600 35.9808 16.552 -43.6377 16.552 -39.3883 54.8463 -43.6377 54.8462 -32.1507 GPRESSAVG: 4568600 37.2762 16.7032 -44.6422 16.0405 -41.6053 55.0547 -46.9498 58.5414 -30.8966 TIMING: 4568600 CPU: 14750.4, 0.00310879/step Wall: 14750.4, 0.00310879/step, 0.372536 hours remaining, 236.039062 MB of memory in use. ENERGY: 4568600 3952.6837 20461.7298 14459.7254 249.3892 -203340.5977 2745.0741 0.0000 0.0000 52267.0775 -109204.9179 300.3796 -161471.9954 -108828.5498 299.8394 -62.5032 -26.9756 761315.4114 -11.8527 -11.7419 PRESSURE: 4568800 379.115 -115.853 -100.614 -115.854 -568.353 167.447 -100.614 167.447 -92.9998 GPRESSURE: 4568800 379.879 -77.8565 -162.997 -160.467 -474.224 103.132 -129.368 183.232 -121.408 PRESSAVG: 4568800 94.4454 -19.4357 -73.7403 -19.4357 -77.4451 27.558 -73.7403 27.558 0.0610721 GPRESSAVG: 4568800 93.1758 -19.8571 -71.4248 -19.7223 -75.5691 27.7246 -72.3274 26.1636 -0.587675 TIMING: 4568800 CPU: 14751, 0.0031167/step Wall: 14751, 0.0031167/step, 0.373311 hours remaining, 236.296875 MB of memory in use. ENERGY: 4568800 4036.2050 20464.9404 14561.7464 257.2359 -203013.7450 2381.3569 0.0000 0.0000 52003.9097 -109308.3506 298.8672 -161312.2604 -108947.2044 299.7457 -94.0793 -71.9179 761144.3715 5.6871 5.6730 PRESSURE: 4569000 86.3098 126.59 193.709 126.59 -124.592 -81.6965 193.71 -81.6963 199.296 GPRESSURE: 4569000 192.531 65.5333 204.669 102.586 -86.0614 -89.1652 101.565 55.8967 169.315 PRESSAVG: 4569000 63.9534 -32.2972 -27.7238 -32.2972 -86.0244 33.7067 -27.7238 33.7067 0.270285 GPRESSAVG: 4569000 64.4644 -30.3677 -28.4 -31.841 -86.8262 35.045 -28.4861 33.4619 0.64182 TIMING: 4569000 CPU: 14751.6, 0.00314587/step Wall: 14751.6, 0.00314587/step, 0.376631 hours remaining, 236.296875 MB of memory in use. ENERGY: 4569000 4050.9738 20379.1506 14462.8794 255.6186 -203053.7840 2605.6628 0.0000 0.0000 51966.7502 -109332.7486 298.6536 -161299.4988 -108971.3360 299.3269 53.6715 91.9285 762105.0953 -7.2669 -7.2400 PRESSURE: 4569200 -116.375 154.308 -187.733 154.308 150.928 -161.134 -187.733 -161.135 151.336 GPRESSURE: 4569200 -15.716 130.667 -98.9421 120.146 51.6798 -227.851 -31.5561 -185.873 243.638 PRESSAVG: 4569200 -19.3022 40.202 36.7069 40.2021 0.853849 8.91924 36.7069 8.91924 11.7859 GPRESSAVG: 4569200 -18.5245 39.656 36.5788 38.0477 -0.720657 8.14261 38.7746 10.7363 12.3554 TIMING: 4569200 CPU: 14752.3, 0.00313912/step Wall: 14752.3, 0.00313912/step, 0.375648 hours remaining, 236.296875 MB of memory in use. ENERGY: 4569200 4018.3211 20502.3533 14467.2369 245.1761 -203424.5406 2605.3224 0.0000 0.0000 52343.5061 -109242.6248 300.8188 -161586.1308 -108872.3955 299.2734 61.9630 93.2007 760912.6024 -2.2208 -2.2966 PRESSURE: 4569400 -256.502 -88.8948 241.159 -88.8942 44.9771 53.1363 241.158 53.1367 -207.103 GPRESSURE: 4569400 -238.877 8.77647 166.485 -26.2186 97.9393 43.5088 323.311 65.2616 -183.317 PRESSAVG: 4569400 40.6835 21.0019 4.58498 21.002 -14.6298 59.8276 4.58496 59.8276 2.00768 GPRESSAVG: 4569400 39.9376 20.7861 3.5194 21.7903 -13.212 60.7727 0.970428 58.0262 0.944424 TIMING: 4569400 CPU: 14752.9, 0.00312724/step Wall: 14752.9, 0.00312724/step, 0.374052 hours remaining, 236.296875 MB of memory in use. ENERGY: 4569400 4041.1309 20360.2177 14487.5958 250.6346 -203040.9092 2426.5183 0.0000 0.0000 52051.7931 -109423.0188 299.1424 -161474.8119 -109065.5073 299.2157 -139.5426 -108.0849 761808.2952 9.3538 9.2233 PRESSURE: 4569600 -167.643 -65.2002 29.4325 -65.1992 -34.7086 11.2993 29.4322 11.2999 6.04335 GPRESSURE: 4569600 -206.424 -104.088 32.3489 -93.8014 42.9175 75.5651 -56.61 83.0233 51.7158 PRESSAVG: 4569600 12.474 19.1687 3.65222 19.1687 -24.6274 -3.9511 3.65221 -3.95103 -1.28263 GPRESSAVG: 4569600 12.0957 20.8243 6.13528 19.9567 -23.9496 -4.90208 7.5458 -3.22137 -1.36013 TIMING: 4569600 CPU: 14753.5, 0.00313565/step Wall: 14753.5, 0.00313565/step, 0.374884 hours remaining, 236.296875 MB of memory in use. ENERGY: 4569600 3995.7834 20377.6421 14521.4066 262.8775 -203383.4258 2483.3988 0.0000 0.0000 52169.9931 -109572.3244 299.8217 -161742.3175 -109210.5010 298.5779 -65.4360 -37.2636 760230.3139 -4.4787 -4.4047 PRESSURE: 4569800 78.897 24.4709 -10.3338 24.4711 280.977 95.3995 -10.3337 95.4005 -54.6726 GPRESSURE: 4569800 128.727 -38.2977 17.9563 192.03 291.679 86.5759 42.3431 14.1268 -34.8857 PRESSAVG: 4569800 7.441 7.97887 -16.264 7.97889 -7.5027 -18.8849 -16.2641 -18.8848 -12.922 GPRESSAVG: 4569800 8.06889 6.76185 -16.006 7.77067 -7.96724 -19.3183 -18.851 -19.0563 -12.9021 TIMING: 4569800 CPU: 14754.1, 0.00313915/step Wall: 14754.1, 0.00313915/step, 0.375128 hours remaining, 236.296875 MB of memory in use. ENERGY: 4569800 3967.1637 20417.1917 14526.9860 250.4758 -203750.3328 2829.2907 0.0000 0.0000 52084.4786 -109674.7461 299.3302 -161759.2247 -109304.7780 298.8842 101.7337 128.5068 760897.8967 -4.3279 -4.2668 PRESSURE: 4570000 136.859 -43.0576 -265.006 -43.0577 -251.233 -152.757 -265.007 -152.756 205.427 GPRESSURE: 4570000 236.033 116.129 -215.56 -39.3497 -233.999 -206.444 -320.087 -235.994 182.244 PRESSAVG: 4570000 39.5909 12.9471 -4.69478 12.9471 -71.9864 -21.5899 -4.69481 -21.5899 -14.5389 GPRESSAVG: 4570000 39.9793 12.6807 -5.69464 14.1787 -72.3445 -21.3618 -2.91737 -22.6381 -14.8082 TIMING: 4570000 CPU: 14754.8, 0.00315619/step Wall: 14754.8, 0.00315619/step, 0.376989 hours remaining, 236.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4570000 4033.1664 20529.3426 14475.2620 243.3531 -203536.0843 2489.3625 0.0000 0.0000 51790.8043 -109974.7933 297.6425 -161765.5976 -109603.6825 298.2480 30.3511 61.4260 760905.6228 -15.6448 -15.7245 PRESSURE: 4570200 304.409 -82.1115 -113.867 -82.1113 -16.0949 122.584 -113.868 122.584 126.935 GPRESSURE: 4570200 246.675 -20.325 -111.065 -131.598 88.4388 93.1313 -160.665 144.374 174.252 PRESSAVG: 4570200 45.8315 7.65336 -50.1609 7.65339 -17.2485 -18.415 -50.1609 -18.4152 -12.0585 GPRESSAVG: 4570200 44.2229 7.91684 -49.8724 5.90696 -16.2543 -18.5514 -49.8194 -18.1519 -11.4259 TIMING: 4570200 CPU: 14755.4, 0.00311677/step Wall: 14755.4, 0.00311677/step, 0.372107 hours remaining, 236.296875 MB of memory in use. ENERGY: 4570200 3916.7171 20441.2608 14580.5402 252.9850 -203728.6305 2726.9835 0.0000 0.0000 51843.2880 -109966.8559 297.9441 -161810.1440 -109600.5389 298.1764 138.4164 169.7887 760917.8035 5.5082 5.5142 PRESSURE: 4570400 4.02854 -285.854 63.3243 -285.854 175.646 5.83436 63.323 5.83419 50.6567 GPRESSURE: 4570400 100.96 -218.155 98.5042 -316.127 198.393 44.9658 37.6283 -122.596 20.5277 PRESSAVG: 4570400 26.7985 14.0895 8.54086 14.0894 -80.346 16.8252 8.54087 16.8251 33.7484 GPRESSAVG: 4570400 28.3974 13.9863 8.5164 12.7437 -80.9266 17.3996 8.06319 16.7765 32.846 TIMING: 4570400 CPU: 14756, 0.00312705/step Wall: 14756, 0.00312705/step, 0.373162 hours remaining, 236.296875 MB of memory in use. ENERGY: 4570400 3920.4497 20377.2846 14476.7129 257.4490 -203271.6381 2344.6540 0.0000 0.0000 51939.0039 -109956.0841 298.4942 -161895.0881 -109594.8259 297.7218 76.7770 106.6267 761443.6475 -6.5997 -6.5611 PRESSURE: 4570600 479.329 0.43894 52.7531 0.438442 -58.3041 131.014 52.7524 131.012 56.6595 GPRESSURE: 4570600 456.631 -60.1307 81.4564 -96.054 -2.85554 244.306 -33.2598 64.6058 117.567 PRESSAVG: 4570600 -15.3361 -29.1029 -23.7791 -29.1029 41.2485 -43.0549 -23.7791 -43.0549 -5.85967 GPRESSAVG: 4570600 -16.3071 -31.2787 -22.1615 -25.1358 40.9324 -44.2372 -23.9585 -42.5132 -4.0885 TIMING: 4570600 CPU: 14756.7, 0.0031269/step Wall: 14756.7, 0.0031269/step, 0.372969 hours remaining, 236.296875 MB of memory in use. ENERGY: 4570600 3964.9185 20261.3415 14454.3446 244.5924 -203397.6282 2583.9602 0.0000 0.0000 51879.2957 -110009.1753 298.1510 -161888.4710 -109649.8781 298.0499 159.2281 190.4476 759278.7933 6.6842 6.8456 PRESSURE: 4570800 18.2668 -18.3854 35.6202 -18.386 -12.964 94.7258 35.62 94.7271 208.875 GPRESSURE: 4570800 144.435 -120.822 63.2283 -30.4104 -94.0414 94.7466 127.742 9.51589 243.596 PRESSAVG: 4570800 13.2086 -58.1607 -59.7454 -58.1608 -11.6615 15.3563 -59.7454 15.3563 -10.1493 GPRESSAVG: 4570800 13.5464 -55.6128 -62.087 -60.5311 -11.532 16.5388 -58.8432 14.0589 -10.6468 TIMING: 4570800 CPU: 14757.3, 0.00314227/step Wall: 14757.3, 0.00314227/step, 0.374629 hours remaining, 236.296875 MB of memory in use. ENERGY: 4570800 3927.6884 20576.7419 14476.4677 247.7758 -203622.1556 2549.0686 0.0000 0.0000 51859.7038 -109984.7094 298.0384 -161844.4132 -109630.6111 298.0947 71.3925 97.9967 758410.4336 -2.8674 -2.8775 PRESSURE: 4571000 390.179 -287.49 -17.7633 -287.49 -139.045 286.326 -17.7632 286.326 232.376 GPRESSURE: 4571000 339.91 -244.79 -34.4793 -176.664 -78.6054 175.191 -188.223 146.62 290.442 PRESSAVG: 4571000 17.4346 -35.1532 -50.5223 -35.1533 -47.7589 76.6945 -50.5223 76.6946 35.947 GPRESSAVG: 4571000 16.7693 -35.563 -51.5331 -33.9784 -46.8928 75.366 -50.6761 77.0348 35.9273 TIMING: 4571000 CPU: 14757.9, 0.00312039/step Wall: 14757.9, 0.00312038/step, 0.371846 hours remaining, 236.296875 MB of memory in use. ENERGY: 4571000 3981.1589 20533.1528 14425.5745 261.0257 -203522.1482 2373.8662 0.0000 0.0000 51823.5952 -110123.7748 297.8309 -161947.3700 -109762.8948 297.5282 161.1701 183.9156 758563.6967 1.8742 1.9346 PRESSURE: 4571200 252.017 -116.912 90.9201 -116.912 -433.045 -11.49 90.9204 -11.4899 -126.488 GPRESSURE: 4571200 225.67 -8.03662 70.2084 5.81304 -406.019 -5.85521 201.466 52.1898 -51.1475 PRESSAVG: 4571200 83.8662 -11.8097 18.936 -11.8098 -55.3354 6.09236 18.9359 6.09232 20.5537 GPRESSAVG: 4571200 83.4878 -12.0589 21.1369 -12.1784 -55.3113 6.30117 17.7615 7.40518 20.7883 TIMING: 4571200 CPU: 14758.5, 0.00312987/step Wall: 14758.5, 0.00312988/step, 0.372803 hours remaining, 236.296875 MB of memory in use. ENERGY: 4571200 3972.4731 20665.9685 14438.6437 217.1376 -203339.2087 2401.9518 0.0000 0.0000 51831.6679 -109811.3660 297.8773 -161643.0339 -109463.9620 298.2322 -102.5053 -77.1655 761513.5038 16.3615 16.3216 PRESSURE: 4571400 -28.104 -102.556 -97.7421 -102.557 -238.899 155.27 -97.7426 155.271 -336.781 GPRESSURE: 4571400 -64.3661 -79.8334 -209.346 -104.593 -128.147 211.062 -208.34 66.3572 -320.384 PRESSAVG: 4571400 34.6587 -38.7088 13.0533 -38.7088 -48.7974 40.616 13.0533 40.6159 2.93376 GPRESSAVG: 4571400 35.9592 -38.6024 11.1528 -40.3027 -48.7794 40.5592 11.8041 38.2909 1.19536 TIMING: 4571400 CPU: 14759.2, 0.00312326/step Wall: 14759.2, 0.00312326/step, 0.371842 hours remaining, 236.296875 MB of memory in use. ENERGY: 4571400 3895.0633 20384.3998 14458.9260 232.5478 -203111.2236 2128.9504 0.0000 0.0000 52049.1317 -109962.2045 299.1271 -162011.3362 -109595.9772 298.7910 -201.2611 -170.9656 760522.1347 -3.7350 -3.8749 PRESSURE: 4571600 -102.489 -291.569 -62.5603 -291.569 230.435 183.981 -62.5595 183.981 -211.175 GPRESSURE: 4571600 -70.1668 -226.701 -54.6694 -129.069 201.778 204.013 -83.5597 126.356 -110.489 PRESSAVG: 4571600 42.6565 10.3486 21.9153 10.3485 0.380753 47.7065 21.9153 47.7065 14.7809 GPRESSAVG: 4571600 41.3494 9.98028 23.3495 12.6298 -0.263019 48.575 22.8516 48.3034 16.6404 TIMING: 4571600 CPU: 14759.8, 0.00312628/step Wall: 14759.8, 0.00312628/step, 0.372027 hours remaining, 236.296875 MB of memory in use. ENERGY: 4571600 3974.4467 20407.8914 14423.3801 269.1787 -203423.3095 2408.1209 0.0000 0.0000 51832.6305 -110107.6611 297.8828 -161940.2917 -109751.0955 298.2616 -27.7431 7.0408 759832.6972 19.2727 19.2423 PRESSURE: 4571800 -60.9933 27.3745 -184.943 27.374 11.7599 43.3966 -184.943 43.397 -47.7738 GPRESSURE: 4571800 10.0007 174.403 -258.162 117.053 -35.7078 130.251 -160.442 37.1327 4.33291 PRESSAVG: 4571800 -1.26745 -41.1213 -34.4963 -41.1213 -11.6906 56.2263 -34.4963 56.2263 -7.47073 GPRESSAVG: 4571800 0.0267684 -41.416 -33.8239 -43.8853 -12.6514 55.9772 -36.5715 55.695 -7.85608 TIMING: 4571800 CPU: 14760.4, 0.00310993/step Wall: 14760.4, 0.00310993/step, 0.369909 hours remaining, 236.296875 MB of memory in use. ENERGY: 4571800 4061.0329 20552.7479 14483.7150 243.6743 -203436.3998 2459.4328 0.0000 0.0000 51739.8128 -109895.9841 297.3494 -161635.7968 -109537.3396 298.9234 -32.3357 -7.1247 760186.3111 -6.8096 -6.8269 PRESSURE: 4572000 121.355 -84.1849 -134.078 -84.1843 14.9307 -149.494 -134.078 -149.495 -404.206 GPRESSURE: 4572000 151.417 -40.4807 -154.574 -194.666 -0.792934 -112.461 -12.4646 -188.291 -342.789 PRESSAVG: 4572000 -4.59689 -56.22 14.7019 -56.22 -24.243 -5.60239 14.7018 -5.60242 14.0505 GPRESSAVG: 4572000 -4.83466 -56.1739 12.1105 -55.3093 -24.3079 -4.76185 15.4945 -5.41419 14.2166 TIMING: 4572000 CPU: 14761, 0.00310321/step Wall: 14761, 0.00310321/step, 0.368937 hours remaining, 236.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4572000 3983.2477 20480.7115 14469.4454 240.5607 -203358.6218 2339.5905 0.0000 0.0000 52072.2581 -109772.8079 299.2600 -161845.0660 -109410.0194 298.4542 -89.3069 -64.0550 760170.5263 -4.9298 -4.9753 PRESSURE: 4572200 51.9173 -99.5344 22.7368 -99.5343 -321.301 173.118 22.7382 173.117 218.154 GPRESSURE: 4572200 96.5207 -27.4871 12.377 -95.1838 -247.378 49.989 20.6924 144.329 197.834 PRESSAVG: 4572200 10.787 -34.9862 -97.9315 -34.9862 21.4089 37.092 -97.9315 37.092 -5.02405 GPRESSAVG: 4572200 10.3059 -33.3325 -96.1278 -35.2631 21.7627 36.263 -95.565 36.0004 -5.2093 TIMING: 4572200 CPU: 14761.6, 0.00311235/step Wall: 14761.6, 0.00311235/step, 0.369851 hours remaining, 236.296875 MB of memory in use. ENERGY: 4572200 3958.3574 20527.9131 14489.8149 247.2253 -203519.8493 2545.4585 0.0000 0.0000 51951.2604 -109799.8196 298.5646 -161751.0800 -109434.4126 298.7976 -17.0764 15.6588 758805.2949 9.0573 8.9531 LDB: ============= START OF LOAD BALANCING ============== 14774.1 LDB: ============== END OF LOAD BALANCING =============== 14774.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14774.1 LDB: ============= START OF LOAD BALANCING ============== 14774.4 LDB: Largest compute 7044 load 0.030664 is 15.7% of average load 0.195513 LDB: Average compute 0.004392 is 2.2% of average load 0.195513 LDB: TIME 14774.4 LOAD: AVG 0.195513 MAX 0.21506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 14774.4 LOAD: AVG 0.195513 MAX 0.21506 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 14774.4 LOAD: AVG 0.195513 MAX 0.21506 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 14774.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14774.4 PRESSURE: 4572400 -118.487 -49.722 114.201 -49.7224 -83.785 15.4471 114.202 15.4473 23.0004 GPRESSURE: 4572400 -89.3556 -110.948 217.014 39.0918 -35.734 16.736 27.8932 -10.6076 36.3825 PRESSAVG: 4572400 -20.0524 -14.6869 -40.118 -14.6868 28.3464 44.6075 -40.1181 44.6075 2.85083 GPRESSAVG: 4572400 -19.643 -16.7418 -40.1875 -13.7613 28.3098 43.8741 -42.8428 46.4405 2.53799 TIMING: 4572400 CPU: 14762.3, 0.00319641/step Wall: 14762.3, 0.00319641/step, 0.379663 hours remaining, 236.164062 MB of memory in use. ENERGY: 4572400 3941.8121 20532.0117 14399.9605 240.4589 -203113.4105 2252.4190 0.0000 0.0000 51842.8085 -109903.9398 297.9413 -161746.7483 -109532.1031 298.4844 -59.7571 -29.5690 760133.8945 3.7149 3.7349 PRESSURE: 4572600 236.27 -63.5425 -241.397 -63.5421 -443.575 159.81 -241.397 159.809 -237.976 GPRESSURE: 4572600 247.479 -115.3 -246.158 -56.2573 -366.356 83.2236 -149.286 115.132 -231.137 PRESSAVG: 4572600 2.30642 -54.3895 -4.39955 -54.3895 -31.8468 44.2365 -4.39956 44.2364 -20.8251 GPRESSAVG: 4572600 1.90545 -53.853 -5.26722 -55.9822 -30.8656 43.6625 -1.34833 41.6703 -20.6446 TIMING: 4572600 CPU: 14762.9, 0.00314193/step Wall: 14762.9, 0.00314193/step, 0.373017 hours remaining, 236.492188 MB of memory in use. ENERGY: 4572600 3905.3440 20514.1350 14524.0966 225.7880 -203274.9953 2316.0081 0.0000 0.0000 51815.8327 -109973.7909 297.7863 -161789.6236 -109610.9804 297.9350 -148.4271 -116.6714 760822.0366 -16.7885 -16.5349 PRESSURE: 4572800 -29.2528 -36.5432 -72.4715 -36.5432 46.6313 -118.266 -72.4717 -118.265 -82.2163 GPRESSURE: 4572800 -2.38245 -4.12391 -104.301 -113.669 69.113 -58.2745 26.8544 -115.704 -71.8098 PRESSAVG: 4572800 -4.07373 -18.9913 -20.0143 -18.9914 -13.0488 48.6358 -20.0142 48.6358 4.78453 GPRESSAVG: 4572800 -4.10276 -17.5822 -20.0028 -19.3151 -13.675 50.1902 -22.4895 49.6154 5.04071 TIMING: 4572800 CPU: 14763.5, 0.00311573/step Wall: 14763.5, 0.00311573/step, 0.369734 hours remaining, 236.492188 MB of memory in use. ENERGY: 4572800 3887.8699 20498.9998 14499.0725 245.0851 -203573.7122 2504.9328 0.0000 0.0000 51898.4901 -110039.2619 298.2613 -161937.7520 -109679.8473 298.5128 -21.6126 -1.6931 759432.6840 -4.1127 -4.2457 PRESSURE: 4573000 -124.278 -150.39 -114.159 -150.39 -342.256 48.3814 -114.158 48.3806 -286.7 GPRESSURE: 4573000 -89.0599 -134.52 -99.8402 -85.8639 -235.2 63.3426 -12.0198 16.11 -309.285 PRESSAVG: 4573000 28.1777 -34.5601 7.61976 -34.5601 -16.501 17.4752 7.61972 17.4751 -2.61045 GPRESSAVG: 4573000 28.664 -36.0251 9.88978 -34.5856 -17.1759 15.8867 6.78838 18.2895 -2.4441 TIMING: 4573000 CPU: 14764.2, 0.00312542/step Wall: 14764.2, 0.00312542/step, 0.37071 hours remaining, 236.492188 MB of memory in use. ENERGY: 4573000 4017.9713 20437.4477 14438.2622 255.7869 -203573.4074 2418.7731 0.0000 0.0000 51980.0788 -110025.0874 298.7302 -162005.1663 -109661.6666 298.5081 -251.0779 -211.1816 760187.9328 3.0221 3.0147 PRESSURE: 4573200 132.287 187.22 67.4933 187.22 8.41381 -9.69135 67.4933 -9.69076 -29.2771 GPRESSURE: 4573200 165.616 137.524 88.8465 131.453 141.634 1.62208 83.799 94.5421 -116.017 PRESSAVG: 4573200 -3.78671 -48.0391 44.2322 -48.0391 -7.3478 -33.2054 44.2322 -33.2054 6.5136 GPRESSAVG: 4573200 -3.14181 -48.3588 42.3158 -47.5078 -6.54892 -31.9498 45.3459 -32.9635 5.23117 TIMING: 4573200 CPU: 14764.8, 0.00313404/step Wall: 14764.8, 0.00313404/step, 0.371558 hours remaining, 236.492188 MB of memory in use. ENERGY: 4573200 4085.2675 20380.3858 14494.0269 259.0857 -203635.5570 2477.1323 0.0000 0.0000 51849.9978 -110089.6610 297.9826 -161939.6587 -109724.2194 298.4992 37.1411 63.7441 760345.8916 -1.5403 -1.4865 PRESSURE: 4573400 -83.2113 16.3825 -138.947 16.383 180.753 104.208 -138.947 104.207 524.105 GPRESSURE: 4573400 -78.7291 59.1172 -114.777 -6.72387 212.532 151.991 -93.1185 57.5247 552.302 PRESSAVG: 4573400 46.8013 -45.0588 -40.5784 -45.0588 -15.7239 9.39865 -40.5784 9.39858 -0.000542106 GPRESSAVG: 4573400 45.7163 -45.8127 -38.8846 -44.7263 -15.2185 10.3544 -40.9877 8.70137 0.731775 TIMING: 4573400 CPU: 14765.4, 0.00312391/step Wall: 14765.4, 0.00312391/step, 0.370183 hours remaining, 236.558594 MB of memory in use. ENERGY: 4573400 4078.1051 20482.6423 14461.2473 241.5469 -203586.5417 2743.1199 0.0000 0.0000 51616.1137 -109963.7665 296.6385 -161579.8802 -109598.0494 298.4491 207.2157 228.7015 759326.2338 10.3590 10.4099 PRESSURE: 4573600 -96.0845 -91.3242 11.9066 -91.3235 -50.6544 -32.1117 11.9075 -32.1121 232.137 GPRESSURE: 4573600 -3.38292 -33.2028 11.0959 -28.3557 17.6756 -14.9869 -56.5947 32.4776 165.103 PRESSAVG: 4573600 -13.3008 -31.3545 -3.1111 -31.3545 -23.1129 11.4398 -3.11108 11.4399 -1.01986 GPRESSAVG: 4573600 -12.3469 -27.7634 -4.65255 -31.5418 -24.9407 13.0328 -2.29804 11.2228 -0.616791 TIMING: 4573600 CPU: 14766, 0.00313132/step Wall: 14766, 0.00313132/step, 0.370887 hours remaining, 236.558594 MB of memory in use. ENERGY: 4573600 4028.8750 20204.8458 14429.7396 242.9091 -203883.2626 2607.1715 0.0000 0.0000 52326.7426 -110042.9790 300.7225 -162369.7216 -109668.3465 298.2886 28.4660 59.7987 759948.2475 -12.4778 -12.6348 PRESSURE: 4573800 222.098 -31.6843 -187.753 -31.6848 215.96 155.168 -187.754 155.168 -134.946 GPRESSURE: 4573800 344.687 -23.7486 -231.89 -26.293 183.503 41.8751 -185.083 139.114 -135.871 PRESSAVG: 4573800 47.1609 -20.0229 27.3571 -20.0229 -7.05676 36.8679 27.357 36.8679 11.8236 GPRESSAVG: 4573800 47.9196 -20.9675 28.9829 -20.4653 -6.15337 33.5286 27.8782 36.5404 10.4621 TIMING: 4573800 CPU: 14766.7, 0.00313367/step Wall: 14766.7, 0.00313367/step, 0.370992 hours remaining, 236.757812 MB of memory in use. ENERGY: 4573800 3967.8207 20377.8036 14505.6385 257.5900 -203271.5856 2401.8144 0.0000 0.0000 51801.5703 -109959.3480 297.7043 -161760.9183 -109591.6007 298.6286 101.0374 130.7731 760027.3136 17.3092 17.4094 PRESSURE: 4574000 -89.7253 -21.1261 -134.12 -21.1263 -250.775 111.315 -134.121 111.315 13.3491 GPRESSURE: 4574000 -98.4357 -78.3072 -114.718 -10.6956 -124.435 118.466 -238.626 116.55 -8.26745 PRESSAVG: 4574000 82.1118 3.20186 -13.3165 3.20184 -76.3581 -42.7945 -13.3166 -42.7945 -5.50115 GPRESSAVG: 4574000 81.7256 2.51384 -13.688 3.46466 -76.6185 -40.7103 -15.6244 -43.668 -5.0608 TIMING: 4574000 CPU: 14767.3, 0.00312922/step Wall: 14767.3, 0.00312922/step, 0.370291 hours remaining, 236.757812 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: 4574000 3977.5076 20522.8347 14452.4385 237.4762 -203445.7692 2403.3489 0.0000 0.0000 51865.9211 -109986.2423 298.0742 -161852.1634 -109621.8437 298.2535 -109.0505 -77.0461 761821.7613 0.0842 0.0154 PRESSURE: 4574200 83.46 44.7009 -119.927 44.7007 -274.325 -95.5409 -119.927 -95.5417 -530.872 GPRESSURE: 4574200 68.4835 -31.1364 -32.492 14.8978 -220.356 -99.204 -146.697 -121.304 -492.857 PRESSAVG: 4574200 121.094 -14.5266 -52.4382 -14.5266 -56.9968 1.46427 -52.4382 1.46432 9.68729 GPRESSAVG: 4574200 120.782 -14.3841 -52.5705 -14.0704 -56.8463 2.3552 -50.9501 2.15732 9.66415 TIMING: 4574200 CPU: 14767.9, 0.00314101/step Wall: 14767.9, 0.00314101/step, 0.371512 hours remaining, 236.757812 MB of memory in use. ENERGY: 4574200 4014.6833 20626.0059 14395.3483 231.4434 -203570.7245 2536.0830 0.0000 0.0000 51847.4260 -109919.7346 297.9679 -161767.1606 -109557.8447 298.7988 -240.5788 -214.9097 760335.8778 24.5948 24.5332 PRESSURE: 4574400 -158.39 0.912736 -72.0533 0.911902 -238.687 -223.454 -72.0547 -223.455 14.4363 GPRESSURE: 4574400 -121.992 -22.8128 -53.9254 45.7386 -232.282 -270.962 -34.3278 -143.49 64.2464 PRESSAVG: 4574400 -0.553227 1.77169 18.692 1.77183 -0.111795 10.5051 18.692 10.5051 5.50464 GPRESSAVG: 4574400 -0.733221 0.334064 18.2206 2.54511 -0.498562 9.61038 20.1374 8.57023 5.6035 TIMING: 4574400 CPU: 14768.5, 0.00312049/step Wall: 14768.5, 0.00312049/step, 0.368912 hours remaining, 236.757812 MB of memory in use. ENERGY: 4574400 3966.6441 20516.0067 14447.2387 233.3868 -203114.3002 2096.6867 0.0000 0.0000 51963.3571 -109890.9800 298.6341 -161854.3371 -109537.9286 298.7157 -127.5469 -96.6761 759746.0689 1.6132 1.4572 PRESSURE: 4574600 69.7385 104.219 -119.992 104.218 -126.443 -50.4961 -119.992 -50.4953 115.737 GPRESSURE: 4574600 125.654 50.8362 -145.977 84.6981 -109.481 -3.60861 -157.99 131.99 126.958 PRESSAVG: 4574600 47.5997 9.58859 -37.4429 9.58855 -15.0868 0.538925 -37.4429 0.538802 1.71911 GPRESSAVG: 4574600 47.9032 12.3168 -34.6441 6.75025 -14.9137 -0.903827 -38.5851 2.72873 1.15462 TIMING: 4574600 CPU: 14769.2, 0.00312914/step Wall: 14769.2, 0.00312914/step, 0.36976 hours remaining, 236.757812 MB of memory in use. ENERGY: 4574600 3929.1005 20416.5686 14473.9538 237.6725 -203200.1080 2239.8771 0.0000 0.0000 52101.4396 -109801.4958 299.4277 -161902.9355 -109443.5830 298.6911 19.6775 47.7105 759789.4401 11.4107 11.3814 PRESSURE: 4574800 115.363 74.1507 273.317 74.1508 -199.903 -50.5949 273.317 -50.5943 172.752 GPRESSURE: 4574800 112.939 41.4718 183.04 -56.6285 -55.4834 -36.6437 265.421 -83.3543 116.403 PRESSAVG: 4574800 -29.5777 2.94689 -3.67365 2.94693 3.4056 -7.97434 -3.67366 -7.97443 0.762591 GPRESSAVG: 4574800 -29.9108 0.905151 -6.34124 3.33005 4.94566 -5.54779 -3.69402 -9.1693 -0.0316266 TIMING: 4574800 CPU: 14769.8, 0.00313534/step Wall: 14769.8, 0.00313534/step, 0.370319 hours remaining, 236.757812 MB of memory in use. ENERGY: 4574800 4030.8781 20370.0023 14445.9531 246.1911 -203509.7036 2576.6973 0.0000 0.0000 51864.6737 -109975.3079 298.0670 -161839.9816 -109609.0464 298.9680 29.4044 57.9527 760014.5249 -8.4698 -8.3323 PRESSURE: 4575000 291.85 219.748 81.9726 219.748 231.182 78.2844 81.9722 78.2845 -298.173 GPRESSURE: 4575000 418.336 162.976 -13.4543 285.085 210.664 152.89 132.218 58.5526 -292.408 PRESSAVG: 4575000 52.8879 -18.2338 -47.9333 -18.2339 10.7237 -16.0817 -47.9333 -16.0818 10.6025 GPRESSAVG: 4575000 52.6785 -16.8536 -49.1342 -16.9137 8.6227 -17.5557 -48.3166 -15.4705 12.5806 TIMING: 4575000 CPU: 14770.4, 0.00312262/step Wall: 14770.4, 0.00312262/step, 0.368643 hours remaining, 236.757812 MB of memory in use. ENERGY: 4575000 4036.8818 20314.0142 14407.5256 245.1036 -203965.5808 2875.5016 0.0000 0.0000 52083.4923 -110003.0618 299.3245 -162086.5541 -109651.4387 298.0822 74.9530 112.1974 759210.4784 24.7380 24.6273 PRESSURE: 4575200 -401.496 1.66855 135.076 1.66912 -241.739 124.813 135.076 124.812 -69.4239 GPRESSURE: 4575200 -342.466 -55.8231 55.449 -127.642 -189.809 92.3181 192.579 46.4975 -79.764 PRESSAVG: 4575200 25.2121 13.4868 8.55486 13.4869 -19.4279 7.1012 8.55488 7.10122 -4.38478 GPRESSAVG: 4575200 24.8378 12.0693 9.25115 13.5382 -17.3707 7.7963 9.45871 5.03757 -5.50942 TIMING: 4575200 CPU: 14771, 0.00312357/step Wall: 14771, 0.00312357/step, 0.368582 hours remaining, 236.757812 MB of memory in use. ENERGY: 4575200 3986.8693 20332.0951 14435.1069 254.7797 -203102.5754 2060.9590 0.0000 0.0000 52154.2211 -109878.5443 299.7310 -162032.7654 -109512.0206 298.9668 -237.5529 -204.0130 761407.2529 0.4665 0.6526 PRESSURE: 4575400 92.0964 -124.232 94.8268 -124.233 -232.8 112.539 94.8257 112.539 103.532 GPRESSURE: 4575400 43.1123 -44.7326 99.0014 -164.947 -172.056 144.208 81.4109 211.362 178.744 PRESSAVG: 4575400 -12.7958 -64.2879 60.3797 -64.2879 7.96409 -1.36956 60.3796 -1.36963 9.85905 GPRESSAVG: 4575400 -13.5391 -62.7003 60.1658 -64.6553 8.83318 -0.923735 60.4238 -0.523611 10.2447 TIMING: 4575400 CPU: 14771.7, 0.0031259/step Wall: 14771.7, 0.0031259/step, 0.368683 hours remaining, 236.757812 MB of memory in use. ENERGY: 4575400 4011.5168 20385.1494 14524.9641 222.3687 -203297.6933 2474.9155 0.0000 0.0000 51940.0351 -109738.7438 298.5001 -161678.7789 -109379.1692 298.8574 -12.3905 16.6000 760724.1380 1.6758 1.8462 PRESSURE: 4575600 3.37147 -115.734 -81.0585 -115.735 164.57 -87.8375 -81.059 -87.8372 -170.54 GPRESSURE: 4575600 23.6393 -108.752 -11.1146 -78.2726 212.972 -54.3776 -62.4317 44.3639 -150.457 PRESSAVG: 4575600 13.2449 -13.25 24.157 -13.25 -6.34803 18.263 24.157 18.263 9.79916 GPRESSAVG: 4575600 15.4778 -14.6595 24.4354 -13.4101 -8.01434 17.9392 24.4193 20.3255 9.56036 TIMING: 4575600 CPU: 14772.3, 0.00313184/step Wall: 14772.3, 0.00313184/step, 0.36921 hours remaining, 236.746094 MB of memory in use. ENERGY: 4575600 4022.6747 20423.6917 14492.4097 239.9608 -203456.4757 2367.8313 0.0000 0.0000 52170.2902 -109739.6173 299.8234 -161909.9075 -109380.4218 299.0834 -0.8659 28.7182 760580.0513 5.5653 5.6746 PRESSURE: 4575800 -40.2655 -322.799 168.345 -322.798 -252.915 86.4816 168.346 86.4825 193.863 GPRESSURE: 4575800 -49.1045 -218.964 139.341 -247.454 -147.186 124.013 113.951 83.329 172.789 PRESSAVG: 4575800 15.8357 -56.9246 -38.2232 -56.9246 -39.8599 50.3954 -38.2231 50.3954 -13.3175 GPRESSAVG: 4575800 14.9061 -54.1266 -38.3954 -57.2162 -38.8757 49.6914 -38.3179 49.3267 -13.707 TIMING: 4575800 CPU: 14772.9, 0.00314234/step Wall: 14772.9, 0.00314234/step, 0.370273 hours remaining, 236.757812 MB of memory in use. ENERGY: 4575800 4060.4424 20461.2413 14419.1241 255.9525 -203647.3009 2620.1869 0.0000 0.0000 51909.3363 -109921.0174 298.3237 -161830.3537 -109567.4173 298.8045 -33.1059 -7.8338 759694.3475 -12.4472 -12.5589 PRESSURE: 4576000 -163.076 -283.205 -71.5864 -283.204 -325.076 29.0658 -71.5861 29.0661 41.0944 GPRESSURE: 4576000 -115.394 -106.745 -135.96 -368.421 -296.563 31.1109 56.2179 -6.15284 62.1964 PRESSAVG: 4576000 31.0981 -74.8819 -27.1349 -74.8818 -16.0509 -3.13399 -27.1349 -3.13403 -2.68811 GPRESSAVG: 4576000 32.1686 -76.9323 -26.6263 -73.7406 -17.5324 -3.27653 -26.3608 -2.15602 -2.50935 TIMING: 4576000 CPU: 14773.6, 0.00313087/step Wall: 14773.6, 0.00313087/step, 0.368747 hours remaining, 236.757812 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: 4576000 4025.4814 20513.3142 14504.2809 257.4279 -203291.5153 2231.8411 0.0000 0.0000 51914.1645 -109845.0053 298.3514 -161759.1698 -109470.4875 298.7530 -149.0192 -116.5868 759354.2593 4.1197 4.0423 PRESSURE: 4576200 217.681 8.49971 -19.1302 8.49965 -64.1786 -79.8134 -19.1297 -79.8131 57.1796 GPRESSURE: 4576200 206.176 47.6133 -76.4363 42.2021 20.6395 5.91423 -162.128 -59.0888 87.5684 PRESSAVG: 4576200 55.4929 -28.0546 28.0958 -28.0546 -34.9897 -68.4504 28.0958 -68.4504 -9.36033 GPRESSAVG: 4576200 55.5698 -27.5325 29.607 -28.697 -33.9287 -67.329 28.1905 -71.9451 -10.5454 TIMING: 4576200 CPU: 14774.2, 0.00313879/step Wall: 14774.2, 0.00313879/step, 0.369505 hours remaining, 236.757812 MB of memory in use. ENERGY: 4576200 4045.9505 20491.9169 14494.7704 263.9683 -203712.7441 2473.2562 0.0000 0.0000 52282.2982 -109660.5836 300.4671 -161942.8818 -109298.9284 298.8141 70.2274 104.7946 760081.1683 3.7143 3.6986 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 7075 load 0.033510 is 17.1% of average load 0.195535 LDB: Average compute 0.004410 is 2.3% of average load 0.195535 LDB: TIME 14786.9 LOAD: AVG 0.195535 MAX 0.212384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.602 MB LDB: TIME 14786.9 LOAD: AVG 0.195535 MAX 0.212384 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 14786.9 LOAD: AVG 0.195535 MAX 0.212384 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB 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: 4576400 362.668 -113.919 249.955 -113.919 -292.315 -25.9579 249.954 -25.9582 -148.429 GPRESSURE: 4576400 331.214 -12.373 163.405 -141.873 -206.969 -141.479 166.427 -131.937 -135.701 PRESSAVG: 4576400 56.6644 -3.92072 32.7914 -3.92072 -25.7056 -41.0392 32.7914 -41.0392 -7.94027 GPRESSAVG: 4576400 56.6196 -4.5866 32.9164 -3.58465 -26.8952 -43.2725 28.5443 -39.5526 -6.76514 TIMING: 4576400 CPU: 14774.8, 0.00319156/step Wall: 14774.8, 0.00319156/step, 0.37554 hours remaining, 234.882812 MB of memory in use. ENERGY: 4576400 3987.6093 20654.3514 14443.0446 257.0953 -203877.5018 2904.3861 0.0000 0.0000 51939.1064 -109691.9088 298.4948 -161631.0152 -109324.5972 299.2307 -26.0255 -3.8189 761427.3638 7.6728 7.6531 PRESSURE: 4576600 -499.928 -144.214 -174.78 -144.214 -132.318 107.607 -174.779 107.607 -127.434 GPRESSURE: 4576600 -468.114 -79.6349 -101.722 -54.26 -88.4142 116.051 -101.184 86.9434 -101.734 PRESSAVG: 4576600 32.4802 -89.4313 -20.3801 -89.4313 -27.7187 -15.124 -20.3801 -15.124 1.72272 GPRESSAVG: 4576600 32.0785 -87.4182 -23.3613 -88.2986 -27.0524 -15.4164 -15.8271 -13.2211 1.93751 TIMING: 4576600 CPU: 14775.4, 0.0031244/step Wall: 14775.4, 0.0031244/step, 0.367465 hours remaining, 234.953125 MB of memory in use. ENERGY: 4576600 4024.9747 20608.7309 14450.3878 259.6980 -203036.9583 1979.7506 0.0000 0.0000 51960.8439 -109752.5725 298.6197 -161713.4164 -109384.1603 298.9109 -253.2268 -219.4206 760822.1434 2.1614 2.3212 PRESSURE: 4576800 -519.57 -158.461 -3.26441 -158.461 -277.146 -31.9478 -3.2639 -31.9491 -561.293 GPRESSURE: 4576800 -444.579 -171.818 29.9716 -41.4097 -307.529 -23.3494 -34.9953 143.114 -524.74 PRESSAVG: 4576800 -16.7366 -45.5314 30.0877 -45.5314 5.8605 27.9607 30.0878 27.9606 -13.7979 GPRESSAVG: 4576800 -16.5634 -46.5289 31.4597 -45.8345 6.09716 29.4823 29.694 27.0654 -14.1917 TIMING: 4576800 CPU: 14776.1, 0.0031178/step Wall: 14776.1, 0.0031178/step, 0.366515 hours remaining, 234.953125 MB of memory in use. ENERGY: 4576800 4069.1873 20458.4735 14480.2116 256.4649 -203529.4476 2354.3128 0.0000 0.0000 52347.0664 -109563.7312 300.8393 -161910.7976 -109198.2370 299.3856 -452.6698 -425.6158 760771.9600 -8.2247 -8.2193 PRESSURE: 4577000 -319.863 -11.0431 -249.587 -11.043 -123.388 66.8121 -249.587 66.812 10.5518 GPRESSURE: 4577000 -268.642 60.4485 -209.577 -105.712 -76.2466 90.7189 -84.1034 115.485 3.64607 PRESSAVG: 4577000 55.0424 -60.0321 49.1115 -60.0321 -17.1773 -4.02743 49.1115 -4.02753 5.28225 GPRESSAVG: 4577000 55.1724 -60.6356 49.2856 -60.6936 -17.5514 -4.4572 48.998 -2.10765 6.04377 TIMING: 4577000 CPU: 14776.7, 0.00312648/step Wall: 14776.7, 0.00312648/step, 0.367362 hours remaining, 234.953125 MB of memory in use. ENERGY: 4577000 4056.6664 20664.5501 14581.8108 239.7737 -203463.6876 2480.7468 0.0000 0.0000 51995.5270 -109444.6128 298.8190 -161440.1398 -109083.3902 299.8268 -144.2328 -113.7476 759788.4115 14.3824 14.5549 PRESSURE: 4577200 110.752 -78.8625 37.076 -78.8612 36.4452 63.4526 37.0762 63.4515 243.508 GPRESSURE: 4577200 188.897 -65.6013 118.102 -142.312 106.031 -82.4059 160.165 102.666 188.959 PRESSAVG: 4577200 -32.4719 -31.8339 27.1576 -31.8339 39.5793 -32.9433 27.1576 -32.9433 38.6226 GPRESSAVG: 4577200 -32.1155 -28.7218 29.7612 -34.6966 39.142 -32.6147 26.5747 -38.1609 38.8549 TIMING: 4577200 CPU: 14777.3, 0.0031261/step Wall: 14777.3, 0.0031261/step, 0.367142 hours remaining, 235.156250 MB of memory in use. ENERGY: 4577200 4043.2764 20508.5852 14485.1855 246.7234 -203502.4712 2574.0882 0.0000 0.0000 52180.6157 -109463.9968 299.8827 -161644.6124 -109102.4571 299.5499 130.2350 161.2958 760671.3621 15.2433 15.2938 PRESSURE: 4577400 -342.06 -25.8814 1.67783 -25.8816 -83.0831 -204.306 1.67857 -204.305 -327.391 GPRESSURE: 4577400 -232.46 -135.15 16.1607 -38.8084 -101.833 -185.359 32.198 -60.3581 -339.087 PRESSAVG: 4577400 -36.8113 -17.4465 16.854 -17.4465 61.6204 16.1326 16.8539 16.1327 -9.93391 GPRESSAVG: 4577400 -37.0818 -20.7837 13.3589 -14.8835 61.6108 16.5697 16.4087 19.3906 -9.80248 TIMING: 4577400 CPU: 14778, 0.00316076/step Wall: 14778, 0.00316076/step, 0.371038 hours remaining, 235.156250 MB of memory in use. ENERGY: 4577400 3962.0246 20565.2605 14435.7302 227.1734 -203220.5719 2232.4282 0.0000 0.0000 52215.5665 -109582.3886 300.0836 -161797.9551 -109208.1003 300.0791 -250.8449 -224.4603 759475.0908 4.9584 4.9089 PRESSURE: 4577600 -52.0358 -199.899 -239.633 -199.898 -181.414 34.586 -239.633 34.5858 102.169 GPRESSURE: 4577600 -45.4712 -223.33 -345.087 -130.987 -43.918 105.647 -120.183 -1.27899 44.9224 PRESSAVG: 4577600 -43.076 -50.7791 29.5052 -50.7792 23.0932 -72.9311 29.5054 -72.9311 -9.86819 GPRESSAVG: 4577600 -43.0392 -48.4414 28.3136 -50.8373 22.9107 -73.65 30.3078 -73.7573 -9.72883 TIMING: 4577600 CPU: 14778.6, 0.0031521/step Wall: 14778.6, 0.0031521/step, 0.369846 hours remaining, 235.156250 MB of memory in use. ENERGY: 4577600 3926.9329 20640.2949 14495.6578 249.3551 -203428.3811 2483.5130 0.0000 0.0000 52261.3243 -109371.3032 300.3465 -161632.6275 -109012.9543 299.6968 -43.7601 -14.8223 761641.3469 -9.9503 -9.9524 PRESSURE: 4577800 275.142 -64.966 15.2699 -64.9663 -165.551 125.727 15.2702 125.726 173.575 GPRESSURE: 4577800 291.772 -53.2153 78.6811 11.558 -83.2924 38.8811 -119.99 201.199 157.242 PRESSAVG: 4577800 -58.3132 18.8369 7.56638 18.8368 23.5425 4.5848 7.56642 4.58482 -2.02824 GPRESSAVG: 4577800 -59.2861 16.3657 9.24284 19.835 24.5355 5.58033 7.37528 4.56049 -1.9338 TIMING: 4577800 CPU: 14779.2, 0.0031536/step Wall: 14779.2, 0.0031536/step, 0.369848 hours remaining, 235.156250 MB of memory in use. ENERGY: 4577800 3976.5858 20617.5294 14476.3063 229.8404 -203149.0144 2467.0541 0.0000 0.0000 52055.3341 -109326.3643 299.1627 -161381.6985 -108953.9136 299.5415 94.3886 121.9075 762547.1245 -12.2663 -12.2281 PRESSURE: 4578000 103.582 -29.0832 93.6365 -29.0838 102.84 -108.944 93.6366 -108.944 165.164 GPRESSURE: 4578000 184.653 8.49639 28.5743 -119.592 120.545 -144.872 164.481 -238.039 145.226 PRESSAVG: 4578000 61.5383 -25.9225 -27.8929 -25.9225 -58.4521 -54.8372 -27.8929 -54.8372 10.3248 GPRESSAVG: 4578000 61.4921 -24.9222 -27.4262 -26.7724 -58.6981 -55.4213 -28.9271 -54.0714 10.1957 TIMING: 4578000 CPU: 14779.8, 0.00313489/step Wall: 14779.8, 0.00313489/step, 0.367479 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4578000 3983.9233 20645.1765 14445.4005 238.7216 -203773.8002 2695.0197 0.0000 0.0000 52263.1767 -109502.3818 300.3572 -161765.5586 -109128.3151 299.8713 123.8618 150.1412 759837.3031 4.4703 4.3299 PRESSURE: 4578200 -119.832 66.5981 106.606 66.5975 -2.13528 -29.8151 106.606 -29.8171 259.504 GPRESSURE: 4578200 -114.265 68.9895 179.053 -79.8762 93.7439 6.53627 75.2415 -43.3661 246.106 PRESSAVG: 4578200 19.5563 -56.3682 -3.88088 -56.3682 -47.9427 -10.3816 -3.88085 -10.3817 7.8519 GPRESSAVG: 4578200 20.8495 -55.9343 -5.04186 -56.3583 -49.105 -9.2415 -3.13454 -12.2786 8.24241 TIMING: 4578200 CPU: 14780.5, 0.00312367/step Wall: 14780.5, 0.00312367/step, 0.36599 hours remaining, 235.156250 MB of memory in use. ENERGY: 4578200 4021.1141 20610.6956 14478.3175 250.2257 -203988.4467 2754.9147 0.0000 0.0000 52249.8076 -109623.3716 300.2804 -161873.1792 -109255.8711 299.8325 45.8454 75.1949 761034.0596 -6.8448 -6.6710 PRESSURE: 4578400 -89.812 37.4387 -223.915 37.4385 448.321 24.9121 -223.914 24.9122 -267.296 GPRESSURE: 4578400 10.5729 47.4295 -224.957 30.3933 313.929 26.3396 -247.042 -6.13801 -146.369 PRESSAVG: 4578400 -77.8097 -11.6263 -54.4463 -11.6264 61.1493 18.8683 -54.4464 18.8683 3.09547 GPRESSAVG: 4578400 -77.1154 -12.7665 -53.0768 -11.0719 62.2448 17.9296 -56.8901 19.0334 2.13608 TIMING: 4578400 CPU: 14781.1, 0.00313581/step Wall: 14781.1, 0.00313581/step, 0.367238 hours remaining, 235.156250 MB of memory in use. ENERGY: 4578400 3997.3837 20527.1819 14459.2493 227.8552 -203689.6771 2694.6712 0.0000 0.0000 52152.0423 -109631.2934 299.7185 -161783.3357 -109258.2595 299.7455 30.4045 59.3778 759639.8800 -4.5216 -4.2448 PRESSURE: 4578600 -37.432 -179.296 42.9507 -179.295 126.772 -70.6601 42.951 -70.6616 41.5324 GPRESSURE: 4578600 -26.354 -217.447 67.7874 -198.951 244.595 -161.94 115.802 -50.5297 18.2026 PRESSAVG: 4578600 -0.400979 -55.0514 6.88379 -55.0514 23.7264 58.1688 6.8838 58.1688 2.89673 GPRESSAVG: 4578600 -0.151762 -54.4611 6.31896 -54.4879 23.3427 58.2818 9.68006 58.294 2.8683 TIMING: 4578600 CPU: 14781.7, 0.00313084/step Wall: 14781.7, 0.00313083/step, 0.366482 hours remaining, 235.156250 MB of memory in use. ENERGY: 4578600 4121.3813 20525.6524 14400.9833 240.3261 -203573.5104 2642.2699 0.0000 0.0000 52274.4062 -109368.4914 300.4217 -161642.8976 -109006.2039 299.6960 43.6242 78.8145 761152.1732 8.7407 8.6864 PRESSURE: 4578800 55.3632 -1.03435 39.2291 -1.03492 109.007 -96.9005 39.2296 -96.9011 234.283 GPRESSURE: 4578800 191.603 -1.9466 -17.7775 -128.25 48.8425 -79.8888 -85.2718 1.33778 259.259 PRESSAVG: 4578800 4.12439 14.1594 57.2071 14.1594 3.91402 31.8036 57.2072 31.8036 -23.4392 GPRESSAVG: 4578800 4.42448 13.5807 55.4053 11.2148 2.72319 31.6122 55.9637 32.7404 -22.6133 TIMING: 4578800 CPU: 14782.3, 0.00313614/step Wall: 14782.3, 0.00313614/step, 0.366928 hours remaining, 235.156250 MB of memory in use. ENERGY: 4578800 3993.7533 20559.2811 14416.2053 257.4122 -203134.3394 2288.0766 0.0000 0.0000 52069.5953 -109550.0156 299.2447 -161619.6109 -109193.0124 300.1752 132.8843 166.5682 759508.3888 -5.1336 -5.1552 PRESSURE: 4579000 -171.461 0.0617044 -66.9755 0.0608981 -362.657 277.067 -66.9751 277.067 -139.165 GPRESSURE: 4579000 -235.943 -76.9092 -13.3517 54.3448 -247.103 292.82 20.3284 155.523 -106.894 PRESSAVG: 4579000 -56.0334 54.7783 -25.1421 54.7783 12.3427 -31.752 -25.1421 -31.752 2.1637 GPRESSAVG: 4579000 -58.2156 55.0965 -24.0908 56.7585 14.4977 -32.2221 -22.7602 -32.4388 1.79523 TIMING: 4579000 CPU: 14783, 0.00314601/step Wall: 14783, 0.00314601/step, 0.367909 hours remaining, 235.156250 MB of memory in use. ENERGY: 4579000 3976.6914 20566.2963 14374.5206 250.4262 -203028.5358 2140.3669 0.0000 0.0000 52249.8122 -109470.4222 300.2804 -161720.2344 -109105.6269 299.9189 -224.4275 -196.6468 761181.2767 -13.8423 -13.9742 PRESSURE: 4579200 -35.1387 -104.008 79.4409 -104.008 -130.729 115.069 79.4409 115.069 -177.99 GPRESSURE: 4579200 -32.8975 4.44868 57.2698 -251.256 -64.7192 79.3065 -60.7665 107.58 -137.726 PRESSAVG: 4579200 -20.0188 17.3003 5.18959 17.3004 53.3802 28.7158 5.18958 28.7159 4.55279 GPRESSAVG: 4579200 -17.9011 17.9073 5.5804 16.7152 52.7655 28.8616 3.53788 28.4938 3.51053 TIMING: 4579200 CPU: 14783.6, 0.00316352/step Wall: 14783.6, 0.00316352/step, 0.36978 hours remaining, 235.156250 MB of memory in use. ENERGY: 4579200 4075.8772 20448.2573 14449.9635 240.3616 -203310.4827 2465.4549 0.0000 0.0000 52180.2447 -109450.3236 299.8806 -161630.5684 -109091.0788 299.8453 -114.6192 -78.4476 761209.9250 12.6381 12.7916 PRESSURE: 4579400 -156.106 207.659 -106.439 207.659 -277.057 -23.0638 -106.439 -23.0628 43.075 GPRESSURE: 4579400 -228.276 234.716 -90.2457 208.89 -116.597 18.5943 -13.125 166.792 27.0782 PRESSAVG: 4579400 17.4686 23.5986 -8.71532 23.5986 7.91972 28.7214 -8.71531 28.7215 -2.58411 GPRESSAVG: 4579400 15.858 22.5495 -8.62618 27.0743 8.34221 27.648 -8.74045 29.5905 -1.96727 TIMING: 4579400 CPU: 14784.2, 0.00313341/step Wall: 14784.2, 0.00313341/step, 0.366087 hours remaining, 235.156250 MB of memory in use. ENERGY: 4579400 4019.3560 20465.0259 14408.9954 228.9611 -203420.2206 2474.0200 0.0000 0.0000 52265.0287 -109558.8334 300.3678 -161823.8622 -109191.3287 299.7356 -130.0292 -105.9315 761538.5345 7.6014 7.4110 PRESSURE: 4579600 -316.519 109.13 -17.0255 109.13 200.295 -195.556 -17.0257 -195.557 142.057 GPRESSURE: 4579600 -241.366 43.1124 -20.763 134.071 187.424 -148.183 -112.496 -282.504 156.536 PRESSAVG: 4579600 -47.4697 -4.29975 2.67052 -4.29972 19.4256 8.82438 2.67055 8.82439 -3.04714 GPRESSAVG: 4579600 -46.6511 -2.80295 1.44159 -7.75601 17.7597 11.282 4.66486 7.96959 -2.22108 TIMING: 4579600 CPU: 14784.9, 0.00313452/step Wall: 14784.9, 0.00313452/step, 0.366043 hours remaining, 235.156250 MB of memory in use. ENERGY: 4579600 4023.9829 20421.0309 14418.1533 260.7589 -203413.5728 2395.5150 0.0000 0.0000 52104.6430 -109789.4888 299.4461 -161894.1318 -109422.6776 299.3880 8.6109 34.1981 760027.2151 -10.3637 -10.3708 PRESSURE: 4579800 -217.451 170.869 -20.0603 170.869 -143.499 40.0604 -20.0599 40.0599 -581.149 GPRESSURE: 4579800 -274.194 289.952 -58.1196 71.8491 -83.3799 67.5265 -53.4232 -9.12328 -497.868 PRESSAVG: 4579800 -8.19052 47.7716 -17.4273 47.7716 -16.2612 -5.92302 -17.4273 -5.92299 -4.43281 GPRESSAVG: 4579800 -9.17254 47.4703 -16.3195 47.8106 -15.4351 -6.71834 -19.3748 -7.35341 -4.47057 TIMING: 4579800 CPU: 14785.5, 0.00315094/step Wall: 14785.5, 0.00315094/step, 0.367785 hours remaining, 235.156250 MB of memory in use. ENERGY: 4579800 4026.6687 20519.3445 14461.3498 270.0010 -203157.7363 2191.7818 0.0000 0.0000 51873.9947 -109814.5957 298.1206 -161688.5904 -109457.5855 299.0060 -314.0329 -285.1476 759959.2133 -9.6282 -9.6927 PRESSURE: 4580000 247.587 187.888 -86.1907 187.888 150.398 18.2396 -86.1913 18.2381 4.07196 GPRESSURE: 4580000 317.233 108.395 -61.737 135.583 240.626 10.3095 -114.126 -71.6392 -54.0229 PRESSAVG: 4580000 -28.284 22.8338 -32.4141 22.8338 -0.600939 -19.2891 -32.4141 -19.2891 -16.8124 GPRESSAVG: 4580000 -27.5388 20.8266 -32.9308 24.3505 -0.293955 -19.2038 -32.0291 -16.8682 -17.3153 TIMING: 4580000 CPU: 14786.1, 0.0031597/step Wall: 14786.1, 0.0031597/step, 0.368632 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4580000 4072.7972 20421.0627 14409.6899 262.5780 -203659.8193 2687.5753 0.0000 0.0000 52116.9858 -109689.1305 299.5170 -161806.1163 -109310.1634 299.1350 134.0191 167.9451 760678.7714 -15.2324 -15.0493 PRESSURE: 4580200 148.247 5.2367 225.856 5.2365 38.4822 -88.0277 225.856 -88.028 374.981 GPRESSURE: 4580200 -23.2955 103.822 154.357 21.828 245.487 13.6499 145.977 -55.3944 415.952 PRESSAVG: 4580200 -28.9464 -27.951 -29.1602 -27.9509 -26.2872 26.5042 -29.1602 26.5043 -28.1974 GPRESSAVG: 4580200 -29.4219 -24.7043 -27.8495 -30.1955 -25.7059 24.4486 -29.8146 27.1514 -28.2137 TIMING: 4580200 CPU: 14786.8, 0.00314579/step Wall: 14786.8, 0.00314579/step, 0.366834 hours remaining, 235.156250 MB of memory in use. ENERGY: 4580200 3950.0483 20425.2497 14441.6504 247.0983 -203677.1717 2759.7127 0.0000 0.0000 52071.1872 -109782.2252 299.2538 -161853.4124 -109422.4399 299.1860 187.2367 212.7147 762057.4569 -27.8103 -27.7805 LDB: ============= START OF LOAD BALANCING ============== 14799.2 LDB: ============== END OF LOAD BALANCING =============== 14799.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14799.2 LDB: ============= START OF LOAD BALANCING ============== 14799.5 LDB: Largest compute 7025 load 0.033003 is 16.9% of average load 0.195565 LDB: Average compute 0.004408 is 2.3% of average load 0.195565 LDB: TIME 14799.5 LOAD: AVG 0.195565 MAX 0.214134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14799.5 LOAD: AVG 0.195565 MAX 0.214134 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: TIME 14799.5 LOAD: AVG 0.195565 MAX 0.214134 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: ============== END OF LOAD BALANCING =============== 14799.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14799.5 PRESSURE: 4580400 -140.877 -227.138 -118.737 -227.138 -193.553 -57.2351 -118.738 -57.2353 653.871 GPRESSURE: 4580400 -131.679 -197.226 -53.8434 -122.486 -161.954 -123.994 -90.8407 -100.106 691.849 PRESSAVG: 4580400 4.49084 -63.7809 21.0014 -63.781 44.6608 19.9748 21.0015 19.9748 14.3085 GPRESSAVG: 4580400 5.29784 -65.042 21.4195 -64.0124 44.3712 22.944 21.4232 18.5372 13.8901 TIMING: 4580400 CPU: 14787.4, 0.00321778/step Wall: 14787.4, 0.00321778/step, 0.37505 hours remaining, 235.191406 MB of memory in use. ENERGY: 4580400 3984.4533 20582.5483 14449.0123 240.3679 -203790.2182 2737.0278 0.0000 0.0000 51981.3997 -109815.4089 298.7378 -161796.8086 -109464.3490 299.0001 106.4799 132.7386 761281.5507 21.1534 21.1864 PRESSURE: 4580600 34.6395 33.2869 -97.142 33.2879 -47.4336 141.211 -97.1415 141.211 -432.396 GPRESSURE: 4580600 71.0718 92.9909 -131.185 -79.9078 -67.7191 148.202 -258.429 26.2715 -356.503 PRESSAVG: 4580600 3.99425 -59.3746 19.66 -59.3746 -55.0538 -3.10538 19.66 -3.10534 9.58858 GPRESSAVG: 4580600 4.59982 -58.7865 16.5433 -58.8834 -55.5451 -2.86915 19.465 -4.37078 9.6127 TIMING: 4580600 CPU: 14788, 0.00316259/step Wall: 14788, 0.00316259/step, 0.368442 hours remaining, 235.531250 MB of memory in use. ENERGY: 4580600 3922.9163 20457.3456 14422.5408 262.8334 -203527.3404 2391.8070 0.0000 0.0000 52066.9414 -110002.9559 299.2294 -162069.8973 -109632.5306 298.6791 -148.3968 -117.7169 763036.5365 -13.8237 -13.7775 PRESSURE: 4580800 29.9515 -47.6477 138.631 -47.6475 -234.29 -177.592 138.633 -177.591 -246.784 GPRESSURE: 4580800 9.35996 -64.8751 136.104 -172.478 -230.84 -190.954 173.242 -225.915 -150.436 PRESSAVG: 4580800 42.4918 -13.0936 58.5515 -13.0935 -18.0808 -3.95685 58.5515 -3.95683 -4.09033 GPRESSAVG: 4580800 40.938 -14.2799 60.3427 -11.0611 -18.084 -5.30543 58.4894 -1.44349 -2.93672 TIMING: 4580800 CPU: 14788.7, 0.00314843/step Wall: 14788.7, 0.00314843/step, 0.366617 hours remaining, 235.531250 MB of memory in use. ENERGY: 4580800 3953.0780 20487.1013 14539.2381 253.8188 -203462.1638 2259.9153 0.0000 0.0000 52130.3073 -109838.7050 299.5936 -161969.0123 -109484.3078 299.0904 -150.3743 -123.9720 761833.6504 6.7735 6.6391 PRESSURE: 4581000 408.13 -24.1195 161.615 -24.1183 -22.3407 2.31674 161.614 2.31626 -148.561 GPRESSURE: 4581000 341.909 -105 125.353 -39.9591 3.70692 28.8834 179.68 -109.324 -13.8244 PRESSAVG: 4581000 25.4566 -51.7923 -5.42766 -51.7923 -61.0982 3.39317 -5.42768 3.39311 -14.9559 GPRESSAVG: 4581000 25.6373 -52.7389 -4.09182 -52.6227 -60.7242 3.56775 -5.38434 3.607 -15.4431 TIMING: 4581000 CPU: 14789.3, 0.00314344/step Wall: 14789.3, 0.00314344/step, 0.365862 hours remaining, 235.734375 MB of memory in use. ENERGY: 4581000 3891.6429 20404.9903 14449.1578 244.9094 -203500.4716 2226.4948 0.0000 0.0000 52313.2734 -109970.0031 300.6451 -162283.2764 -109602.4971 299.2252 79.0762 110.5973 761027.7316 -16.8659 -16.8433 PRESSURE: 4581200 107.22 -198.905 200.611 -198.905 141.825 138.217 200.61 138.217 -263.181 GPRESSURE: 4581200 217.528 -191.251 237.624 -252.83 124.165 178.615 253.474 98.7939 -271.712 PRESSAVG: 4581200 18.9841 -32.3275 14.8192 -32.3275 -32.4044 16.714 14.8192 16.714 -6.36211 GPRESSAVG: 4581200 20.3392 -30.7239 13.5594 -32.0941 -33.7942 16.0941 13.1415 15.3535 -6.69865 TIMING: 4581200 CPU: 14789.9, 0.00313308/step Wall: 14789.9, 0.00313308/step, 0.364482 hours remaining, 235.734375 MB of memory in use. ENERGY: 4581200 4042.8504 20525.9529 14493.5933 255.6793 -203819.7114 2520.2846 0.0000 0.0000 52057.2374 -109924.1135 299.1737 -161981.3510 -109560.7771 298.9438 -4.7118 23.3270 761284.0828 -6.5942 -6.7179 PRESSURE: 4581400 229.419 97.204 202.917 97.2036 -92.2808 212.983 202.918 212.982 384.573 GPRESSURE: 4581400 238.148 50.8991 162.657 126.368 -46.1823 142.621 159.854 206.449 405.872 PRESSAVG: 4581400 -6.98031 -16.903 11.7038 -16.903 18.3098 -8.31503 11.7038 -8.31504 11.4345 GPRESSAVG: 4581400 -8.21574 -18.1421 12.4838 -18.5207 18.4483 -6.35188 13.8161 -7.51352 11.966 TIMING: 4581400 CPU: 14790.5, 0.00314785/step Wall: 14790.5, 0.00314785/step, 0.366025 hours remaining, 235.734375 MB of memory in use. ENERGY: 4581400 3974.8951 20337.8331 14503.0116 251.3454 -203879.4378 2800.5925 0.0000 0.0000 51950.4560 -110061.3042 298.5600 -162011.7602 -109699.2297 298.5897 173.9040 199.2791 760341.3018 7.5880 7.3995 PRESSURE: 4581600 138.371 64.3751 -135.157 64.3752 55.6214 -278.096 -135.157 -278.096 102.851 GPRESSURE: 4581600 123.946 76.7841 4.32613 -72.7097 79.3214 -309.832 -47.8257 -394.534 179.917 PRESSAVG: 4581600 -14.9054 -12.8437 -44.391 -12.8438 -25.4356 -8.24142 -44.391 -8.24147 44.152 GPRESSAVG: 4581600 -15.0893 -12.5338 -43.4187 -10.4011 -26.2028 -9.97825 -46.1025 -10.0066 44.971 TIMING: 4581600 CPU: 14791.2, 0.00313107/step Wall: 14791.2, 0.00313107/step, 0.3639 hours remaining, 235.734375 MB of memory in use. ENERGY: 4581600 4020.9079 20533.3013 14486.2452 258.3858 -203487.9322 2483.5903 0.0000 0.0000 51814.7175 -109890.7844 297.7799 -161705.5019 -109536.9271 298.8180 98.9479 127.7284 760072.0218 1.2703 1.2263 PRESSURE: 4581800 -1.89907 -10.3575 53.4607 -10.3579 -50.3486 96.7976 53.4609 96.7983 -177.823 GPRESSURE: 4581800 -19.7382 -90.7111 58.1565 69.248 23.0611 19.9651 84.9311 146.568 -165.701 PRESSAVG: 4581800 -24.3083 -21.5841 -13.789 -21.5842 9.92363 10.5888 -13.789 10.5888 19.2187 GPRESSAVG: 4581800 -23.5167 -23.349 -16.9696 -22.0355 11.1341 10.1732 -10.6957 12.2658 17.4873 TIMING: 4581800 CPU: 14791.8, 0.00315134/step Wall: 14791.8, 0.00315134/step, 0.36608 hours remaining, 235.734375 MB of memory in use. ENERGY: 4581800 3928.2873 20507.7152 14447.6132 259.1761 -203142.0929 2231.6330 0.0000 0.0000 51827.0124 -109940.6557 297.8506 -161767.6681 -109580.0311 299.0436 -76.6902 -54.1262 760790.3794 1.6113 1.7016 PRESSURE: 4582000 -433.515 -17.9185 216.514 -17.9186 -438.162 77.6488 216.515 77.6477 -104.969 GPRESSURE: 4582000 -238.23 -7.97715 51.8913 19.9181 -508.188 86.1083 337.921 43.7079 -140.902 PRESSAVG: 4582000 52.9851 -56.6924 27.0708 -56.6923 -54.3943 -16.4099 27.0708 -16.4099 4.9848 GPRESSAVG: 4582000 53.8926 -56.1651 27.9273 -58.9098 -54.9415 -16.8154 27.4768 -14.1651 5.01483 TIMING: 4582000 CPU: 14792.4, 0.00316501/step Wall: 14792.4, 0.00316501/step, 0.367493 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4582000 3984.1853 20437.6050 14516.1249 244.6860 -203237.6021 2339.7763 0.0000 0.0000 51884.6815 -109830.5431 298.1820 -161715.2246 -109453.2417 298.5344 -325.5486 -295.7734 760954.1160 1.1919 1.3220 PRESSURE: 4582200 157.418 -127.808 -196.879 -127.807 -247.712 66.9532 -196.879 66.9524 42.6571 GPRESSURE: 4582200 175.59 -110.267 -136.16 -26.6397 -189.523 54.9974 -157.807 54.3632 76.891 PRESSAVG: 4582200 41.1133 -6.94609 65.4614 -6.94606 -78.4464 -6.33513 65.4614 -6.33517 8.73099 GPRESSAVG: 4582200 40.3281 -5.42953 65.4103 -5.35111 -79.4776 -4.97292 61.7079 -9.14202 10.4936 TIMING: 4582200 CPU: 14793.1, 0.00314262/step Wall: 14793.1, 0.00314261/step, 0.364718 hours remaining, 235.734375 MB of memory in use. ENERGY: 4582200 4011.8591 20395.2905 14486.0653 245.7475 -203759.4596 2741.4833 0.0000 0.0000 52303.6070 -109575.4069 300.5895 -161879.0139 -109213.5953 299.1691 -15.8789 20.9858 759820.9135 -9.5340 -9.5520 PRESSURE: 4582400 81.7321 -29.5571 128.49 -29.5573 337.084 -243.869 128.49 -243.869 -266.389 GPRESSURE: 4582400 70.0595 -22.3537 113.375 14.0164 370.088 -196.999 42.4568 -142.365 -225.999 PRESSAVG: 4582400 -0.333431 -26.1575 42.1015 -26.1575 23.2104 -13.4824 42.1015 -13.4825 -11.6146 GPRESSAVG: 4582400 -1.24714 -27.6422 42.1857 -24.8835 24.8458 -15.0949 43.2087 -11.1889 -12.3907 TIMING: 4582400 CPU: 14793.7, 0.00315559/step Wall: 14793.7, 0.00315559/step, 0.366048 hours remaining, 235.734375 MB of memory in use. ENERGY: 4582400 3977.6615 20593.2755 14532.3080 235.3251 -203612.6438 2430.6326 0.0000 0.0000 52032.7356 -109810.7054 299.0328 -161843.4410 -109445.0335 299.7302 50.8091 71.3828 759556.0129 3.7541 3.7360 PRESSURE: 4582600 110.19 -59.6947 -172.004 -59.6942 -314.802 26.3509 -172.004 26.3508 -80.378 GPRESSURE: 4582600 42.0641 148.246 -171.817 -84.212 -199.975 85.1461 -118.289 53.2261 -40.2342 PRESSAVG: 4582600 -18.3785 -7.38692 24.0321 -7.38686 19.3322 -19.9271 24.032 -19.9271 5.35527 GPRESSAVG: 4582600 -18.8535 -5.44032 24.5875 -9.95006 19.6276 -18.1319 23.8873 -20.6394 5.87704 TIMING: 4582600 CPU: 14794.3, 0.00316923/step Wall: 14794.3, 0.00316923/step, 0.367454 hours remaining, 235.734375 MB of memory in use. ENERGY: 4582600 3934.1845 20794.3801 14449.9401 241.5046 -203162.7705 2149.7817 0.0000 0.0000 51985.9798 -109606.9996 298.7641 -161592.9795 -109250.9572 299.5008 -94.9965 -66.0485 761692.1527 2.1030 2.2170 PRESSURE: 4582800 146.246 -31.7968 -244.155 -31.7976 -56.4758 120.121 -244.155 120.122 -192.294 GPRESSURE: 4582800 225.274 11.8874 -290.58 0.769673 -44.765 61.5421 -185.496 -29.869 -188.095 PRESSAVG: 4582800 22.4362 40.5626 0.955248 40.5625 40.9464 -26.2334 0.955242 -26.2334 -2.08472 GPRESSAVG: 4582800 23.2614 38.8188 -0.2482 43.0319 40.0668 -28.1333 2.1653 -25.8649 -1.78898 TIMING: 4582800 CPU: 14795, 0.00317459/step Wall: 14795, 0.00317459/step, 0.367899 hours remaining, 235.734375 MB of memory in use. ENERGY: 4582800 3940.5586 20473.1888 14501.2367 266.5559 -203214.9898 2396.0535 0.0000 0.0000 52155.3076 -109482.0887 299.7373 -161637.3963 -109111.5654 299.7382 -34.1746 -2.5285 760826.3522 20.4326 20.5131 PRESSURE: 4583000 -294.95 -182.436 -54.3258 -182.437 -108.696 -0.181199 -54.3268 -0.180971 -226.696 GPRESSURE: 4583000 -294.304 -169.55 -117.813 -10.3981 33.8976 88.9 -123.091 105.373 -276.407 PRESSAVG: 4583000 26.8333 -27.3163 -5.63236 -27.3163 -44.5945 -27.7712 -5.63242 -27.7713 7.55094 GPRESSAVG: 4583000 27.9497 -26.8185 -4.73832 -28.2054 -43.8764 -26.9176 -5.96371 -28.6626 5.55245 TIMING: 4583000 CPU: 14795.6, 0.00316285/step Wall: 14795.6, 0.00316285/step, 0.366364 hours remaining, 235.734375 MB of memory in use. ENERGY: 4583000 4013.6870 20532.1240 14498.5442 246.2991 -203017.6633 2233.2549 0.0000 0.0000 52160.7860 -109332.9680 299.7688 -161493.7540 -108970.1018 299.5335 -210.1139 -178.9378 760540.6132 -3.4034 -3.4581 PRESSURE: 4583200 41.2482 -161.855 314.644 -161.855 -156.147 9.38383 314.644 9.38412 -72.8107 GPRESSURE: 4583200 -58.6814 -113.033 274.633 -160.099 -34.6601 -83.5024 233.882 95.3965 -15.8965 PRESSAVG: 4583200 15.4589 -29.4956 -23.7616 -29.4956 2.49848 4.55199 -23.7615 4.552 -16.0366 GPRESSAVG: 4583200 13.1208 -27.9631 -22.2968 -31.5161 3.22687 4.18604 -24.1942 3.33885 -14.2043 TIMING: 4583200 CPU: 14796.2, 0.00314566/step Wall: 14796.2, 0.00314566/step, 0.364198 hours remaining, 235.734375 MB of memory in use. ENERGY: 4583200 3996.1901 20581.8302 14524.3738 247.4033 -203277.6196 2674.9712 0.0000 0.0000 51913.1721 -109339.6789 298.3457 -161252.8510 -108979.9421 299.7253 -62.5699 -36.4127 761770.6794 0.6403 0.7145 PRESSURE: 4583400 191.825 -120.612 -62.0234 -120.612 325.957 117.766 -62.0238 117.766 6.28827 GPRESSURE: 4583400 299.613 -101.353 -3.37038 -157.024 209.592 73.027 -51.3979 110.151 103.711 PRESSAVG: 4583400 32.338 8.98416 -16.5067 8.98417 -5.40353 17.9845 -16.5067 17.9846 -13.7616 GPRESSAVG: 4583400 35.1193 7.37612 -17.5975 11.9332 -9.18433 20.0363 -15.8548 18.6435 -13.377 TIMING: 4583400 CPU: 14796.8, 0.00313013/step Wall: 14796.8, 0.00313013/step, 0.362226 hours remaining, 235.804688 MB of memory in use. ENERGY: 4583400 3987.4949 20730.2676 14519.9435 263.2321 -203998.2465 3078.7001 0.0000 0.0000 52205.0621 -109213.5462 300.0232 -161418.6082 -108850.5880 299.8792 174.6901 204.3049 760683.6204 4.3909 4.1860 PRESSURE: 4583600 132.591 -261.173 288.558 -261.171 -146.639 -81.588 288.559 -81.5877 -364.693 GPRESSURE: 4583600 120.438 -216.546 290.693 -69.9403 -93.2916 -237.154 221.485 -48.5548 -351.983 PRESSAVG: 4583600 55.4875 -10.4286 -23.1981 -10.4286 -3.22712 -38.2176 -23.1981 -38.2176 -8.27943 GPRESSAVG: 4583600 54.1989 -9.47776 -22.3723 -10.8625 -0.411313 -39.5362 -24.9697 -38.9976 -9.53652 TIMING: 4583600 CPU: 14797.5, 0.00314928/step Wall: 14797.5, 0.00314928/step, 0.364266 hours remaining, 235.804688 MB of memory in use. ENERGY: 4583600 4010.7433 20586.0099 14465.1644 235.3700 -203204.5606 2543.4960 0.0000 0.0000 51817.2334 -109546.5436 297.7944 -161363.7770 -109179.4226 299.7613 -126.2466 -108.2791 761516.6747 14.6603 14.7504 PRESSURE: 4583800 -284.303 -127.072 -31.8383 -127.072 57.7547 -113.119 -31.8373 -113.119 -375.122 GPRESSURE: 4583800 -224.183 -180.841 40.4185 -87.7948 42.987 -123.505 -115.762 -70.6043 -349.488 PRESSAVG: 4583800 -34.2252 -12.9959 -0.454988 -12.9959 46.2439 -7.34894 -0.454896 -7.34894 -3.85394 GPRESSAVG: 4583800 -34.3596 -16.5433 -2.10186 -11.3364 45.3318 -9.89726 0.662155 -6.29391 -3.26777 TIMING: 4583800 CPU: 14798.1, 0.00313766/step Wall: 14798.1, 0.00313766/step, 0.362749 hours remaining, 235.804688 MB of memory in use. ENERGY: 4583800 3995.6078 20582.2498 14526.6766 251.6127 -203716.0275 2521.1251 0.0000 0.0000 52364.1520 -109474.6036 300.9375 -161838.7556 -109111.4506 299.2282 -200.5567 -176.8947 761002.0390 2.7216 2.5681 PRESSURE: 4584000 -211.094 -82.242 -160.145 -82.2423 -178.426 -33.9282 -160.145 -33.9279 -92.549 GPRESSURE: 4584000 -209.001 -115.186 -152.088 -156.952 -111.242 -26.983 -59.248 -14.5487 -106.928 PRESSAVG: 4584000 -22.9463 -5.11406 -13.1597 -5.11409 -10.893 -10.9046 -13.1597 -10.9046 14.66 GPRESSAVG: 4584000 -24.7608 -1.87071 -13.9208 -8.59812 -9.46603 -11.434 -12.0113 -9.34744 15.5232 TIMING: 4584000 CPU: 14798.7, 0.00314351/step Wall: 14798.7, 0.00314351/step, 0.36325 hours remaining, 235.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4584000 3987.3831 20750.0421 14446.4484 245.8736 -203391.2729 2405.3809 0.0000 0.0000 52124.7814 -109431.3633 299.5618 -161556.1447 -109071.1040 300.0299 -160.6898 -142.3904 760283.4897 -6.3931 -6.2345 PRESSURE: 4584200 -428.157 -63.662 12.0901 -63.662 53.1774 122.313 12.0903 122.313 72.5836 GPRESSURE: 4584200 -305.698 -54.3798 68.8223 53.9879 77.7121 192.742 129.274 -37.7529 24.6159 PRESSAVG: 4584200 21.037 -18.1662 22.0366 -18.1662 -3.54462 -28.2481 22.0366 -28.2481 5.7244 GPRESSAVG: 4584200 22.7272 -18.5295 24.6541 -15.7288 -4.7868 -26.2182 21.3747 -28.9318 5.64472 TIMING: 4584200 CPU: 14799.4, 0.00314587/step Wall: 14799.4, 0.00314587/step, 0.363348 hours remaining, 235.804688 MB of memory in use. ENERGY: 4584200 3944.1982 20715.7703 14433.2794 243.7030 -203656.7374 2525.2425 0.0000 0.0000 52371.7582 -109422.7858 300.9812 -161794.5440 -109050.6285 299.5574 -100.7986 -67.7898 760928.1585 7.7389 7.8617 LDB: ============= START OF LOAD BALANCING ============== 14811.8 LDB: ============== END OF LOAD BALANCING =============== 14811.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14811.8 LDB: ============= START OF LOAD BALANCING ============== 14812.1 LDB: Largest compute 7024 load 0.034806 is 17.8% of average load 0.195369 LDB: Average compute 0.004418 is 2.3% of average load 0.195369 LDB: TIME 14812.1 LOAD: AVG 0.195369 MAX 0.214854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.262 MB LDB: TIME 14812.1 LOAD: AVG 0.195369 MAX 0.214854 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.461 MB LDB: TIME 14812.1 LOAD: AVG 0.195369 MAX 0.214854 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.461 MB LDB: ============== END OF LOAD BALANCING =============== 14812.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14812.1 PRESSURE: 4584400 185.665 137.6 -10.9759 137.599 -83.8695 59.8855 -10.9764 59.8851 -70.6666 GPRESSURE: 4584400 171.675 -14.3419 3.25469 28.1209 -60.6295 97.0682 47.6576 41.7292 -3.12565 PRESSAVG: 4584400 11.0143 -33.617 8.83831 -33.6169 -29.3517 17.4305 8.83827 17.4305 -2.65118 GPRESSAVG: 4584400 10.7116 -32.2366 7.69606 -32.9808 -29.4889 16.5193 10.1119 17.9229 -2.57442 TIMING: 4584400 CPU: 14800, 0.00322173/step Wall: 14800, 0.00322173/step, 0.37193 hours remaining, 235.453125 MB of memory in use. ENERGY: 4584400 3997.7442 20635.9667 14463.1028 234.0621 -203200.1444 2413.3902 0.0000 0.0000 52122.3468 -109333.5315 299.5478 -161455.8783 -108967.7194 299.3963 10.3763 35.9733 761642.2767 -6.9962 -7.1173 PRESSURE: 4584600 23.9559 -124.431 162.309 -124.431 225.887 -177.85 162.31 -177.85 -36.3556 GPRESSURE: 4584600 43.2879 -159.798 85.804 -155.853 269.014 -227.117 91.2635 -181.213 -9.15594 PRESSAVG: 4584600 27.8837 -9.31917 17.0978 -9.31916 -13.6744 -32.2462 17.0979 -32.2462 -8.70408 GPRESSAVG: 4584600 28.0971 -11.1268 15.8169 -11.482 -13.3019 -30.4434 19.2403 -33.2119 -10.2523 TIMING: 4584600 CPU: 14800.6, 0.00315145/step Wall: 14800.6, 0.00315145/step, 0.363642 hours remaining, 235.453125 MB of memory in use. ENERGY: 4584600 3918.9607 20693.3731 14494.4473 268.4091 -203175.4301 2445.3606 0.0000 0.0000 52079.1262 -109275.7531 299.2995 -161354.8793 -108916.9666 299.9903 71.1624 101.0485 760646.2351 1.8351 1.5143 PRESSURE: 4584800 -122.854 -32.9967 20.7183 -32.996 193.599 67.7897 20.7174 67.7902 97.4041 GPRESSURE: 4584800 -17.2921 -37.9424 49.7915 -36.068 191.171 80.0287 -83.0551 104.646 84.545 PRESSAVG: 4584800 -38.2173 -17.2931 -35.2854 -17.293 47.7855 8.66058 -35.2854 8.66047 8.29623 GPRESSAVG: 4584800 -39.0558 -18.4957 -35.2259 -14.7369 48.65 9.08374 -38.2358 8.60776 8.20772 TIMING: 4584800 CPU: 14801.3, 0.00315835/step Wall: 14801.3, 0.00315835/step, 0.364263 hours remaining, 235.453125 MB of memory in use. ENERGY: 4584800 3877.6614 20586.0559 14531.9367 253.3575 -203556.8392 2699.2528 0.0000 0.0000 52438.3376 -109170.2373 301.3638 -161608.5749 -108803.4988 300.4668 56.0497 86.1412 761591.2694 5.9548 5.9339 PRESSURE: 4585000 -117.166 5.99824 -159.456 5.9989 11.9641 -130.541 -159.456 -130.542 235.298 GPRESSURE: 4585000 -19.7439 -31.8778 -192.088 -91.5754 -56.4462 -153.018 -13.1548 -110.363 280.885 PRESSAVG: 4585000 -46.1419 3.92789 20.3713 3.92794 21.1023 -11.9125 20.3712 -11.9124 10.252 GPRESSAVG: 4585000 -46.4401 3.63678 20.3292 3.14036 22.1905 -11.8744 20.5305 -10.0391 9.66722 TIMING: 4585000 CPU: 14801.9, 0.00316667/step Wall: 14801.9, 0.00316667/step, 0.365046 hours remaining, 235.453125 MB of memory in use. ENERGY: 4585000 4001.5662 20747.9615 14466.8150 239.2835 -203356.9509 2521.6707 0.0000 0.0000 52160.6766 -109218.9774 299.7681 -161379.6540 -108862.8039 300.5200 43.3656 68.2315 761898.8957 -4.9292 -4.8608 PRESSURE: 4585200 4.61312 24.4108 219.583 24.4104 109.228 -134.984 219.584 -134.983 -253.68 GPRESSURE: 4585200 51.5327 9.22726 223.646 103.46 190.066 -52.6572 181.022 -272.379 -293.845 PRESSAVG: 4585200 51.2125 -73.1794 15.9793 -73.1794 -49.5085 -40.0597 15.9793 -40.0598 -14.4201 GPRESSAVG: 4585200 52.6273 -70.6229 18.1374 -74.2553 -51.1659 -39.0083 16.1087 -42.9064 -14.4305 TIMING: 4585200 CPU: 14802.5, 0.003177/step Wall: 14802.5, 0.003177/step, 0.366061 hours remaining, 235.453125 MB of memory in use. ENERGY: 4585200 4065.9279 20641.7224 14415.8592 256.5524 -203097.2028 2367.0762 0.0000 0.0000 52263.0236 -109087.0410 300.3563 -161350.0646 -108729.6571 300.2381 -46.6128 -17.4153 761774.6265 -4.2387 -4.3230 PRESSURE: 4585400 -41.7622 -151.346 -24.0817 -151.345 -395.712 50.0261 -24.0811 50.0248 -563.995 GPRESSURE: 4585400 -61.7154 -119.829 2.59698 -132.605 -337.298 31.1758 -0.0560007 33.7389 -514.547 PRESSAVG: 4585400 50.7218 -45.4351 -19.2442 -45.435 3.68619 22.0438 -19.2442 22.0438 -21.6004 GPRESSAVG: 4585400 50.3461 -44.6042 -19.5864 -44.9288 3.97473 21.0095 -21.1347 21.3937 -21.9945 TIMING: 4585400 CPU: 14803.2, 0.00315309/step Wall: 14803.2, 0.00315309/step, 0.363131 hours remaining, 235.453125 MB of memory in use. ENERGY: 4585400 4055.3635 20682.7613 14523.9304 244.2535 -203056.9186 2318.5404 0.0000 0.0000 52243.0272 -108989.0423 300.2414 -161232.0695 -108637.3418 300.5786 -333.8232 -304.5198 762295.5369 10.9359 10.7754 PRESSURE: 4585600 47.5582 -83.3596 104.496 -83.3599 380.215 10.5202 104.496 10.5196 -267.674 GPRESSURE: 4585600 45.378 -105.584 79.2587 -42.502 339.734 17.4466 160.768 -121.237 -157.739 PRESSAVG: 4585600 -9.08603 -10.7663 -41.9327 -10.7663 -11.0803 -13.0708 -41.9328 -13.0707 14.5678 GPRESSAVG: 4585600 -10.3897 -12.1916 -43.0174 -9.99614 -11.1099 -11.9547 -40.6942 -13.7411 16.0239 TIMING: 4585600 CPU: 14803.8, 0.00314595/step Wall: 14803.8, 0.00314595/step, 0.362134 hours remaining, 235.453125 MB of memory in use. ENERGY: 4585600 4009.6628 20618.9969 14466.1315 239.8867 -203234.2418 2713.2980 0.0000 0.0000 52068.6432 -109117.6225 299.2392 -161186.2658 -108754.8732 300.4058 53.3663 75.7909 762087.5951 -1.8662 -1.8253 PRESSURE: 4585800 -158.234 158.535 -11.5016 158.534 -99.3568 -6.4165 -11.5021 -6.41535 328.271 GPRESSURE: 4585800 -131.258 205.606 -11.9856 116.55 -35.1003 -21.4719 -3.56484 -11.7604 312.694 PRESSAVG: 4585800 -13.9734 19.8276 -17.2195 19.8275 39.9305 7.59051 -17.2195 7.59046 6.8573 GPRESSAVG: 4585800 -13.7854 22.2821 -17.2984 16.7442 41.2368 6.47154 -17.2697 9.6911 5.56836 TIMING: 4585800 CPU: 14804.4, 0.00315034/step Wall: 14804.4, 0.00315034/step, 0.362464 hours remaining, 235.453125 MB of memory in use. ENERGY: 4585800 3987.4299 20494.2064 14487.0495 253.7764 -203443.3459 2645.2504 0.0000 0.0000 52478.4911 -109097.1422 301.5946 -161575.6333 -108718.5671 300.2160 23.5601 48.7786 762511.7184 10.9381 11.0066 PRESSURE: 4586000 306.748 13.14 -2.24374 13.1395 298.254 54.2507 -2.24262 54.2499 0.920353 GPRESSURE: 4586000 333.434 -20.9511 -18.0614 2.78916 359.379 55.8361 39.5655 -91.5024 -9.13245 PRESSAVG: 4586000 -30.4645 -81.3519 -59.3798 -81.3519 21.0699 38.1285 -59.3799 38.1285 -3.87413 GPRESSAVG: 4586000 -31.4697 -82.8085 -59.8688 -79.1091 20.1778 39.4521 -61.2717 38.1886 -2.68212 TIMING: 4586000 CPU: 14805.1, 0.0031537/step Wall: 14805.1, 0.0031537/step, 0.362675 hours remaining, 235.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4586000 4002.6614 20594.2142 14463.7526 253.0630 -203342.7275 2827.9127 0.0000 0.0000 52170.2680 -109030.8557 299.8232 -161201.1237 -108666.7540 299.9093 201.9739 227.8932 762495.0926 -4.4229 -4.6580 PRESSURE: 4586200 -77.3496 -173.693 8.86794 -173.692 188.547 342.408 8.86808 342.408 114.365 GPRESSURE: 4586200 -154.129 -207.143 -1.03441 -168.797 230.715 296.664 127.865 178.167 237.383 PRESSAVG: 4586200 52.2868 -8.61414 -11.0702 -8.61409 -43.1483 -4.89428 -11.0703 -4.89428 -23.9019 GPRESSAVG: 4586200 52.7572 -8.58585 -11.2832 -9.5001 -42.7907 -6.87154 -9.68298 -4.67277 -24.7574 TIMING: 4586200 CPU: 14805.7, 0.00315765/step Wall: 14805.7, 0.00315765/step, 0.362954 hours remaining, 235.453125 MB of memory in use. ENERGY: 4586200 4062.5641 20526.7548 14462.0584 223.0073 -203437.0859 2849.0058 0.0000 0.0000 52172.3015 -109141.3939 299.8349 -161313.6954 -108769.9782 300.0596 75.1876 104.6564 762482.6160 -4.9212 -4.9303 PRESSURE: 4586400 81.2665 -153.213 -98.6631 -153.213 -261.274 -96.8886 -98.6629 -96.8887 -124.709 GPRESSURE: 4586400 175.035 -19.1477 -131.279 -182.196 -212.157 -23.9375 -142.699 -100.675 -189.039 PRESSAVG: 4586400 60.6563 -17.5958 21.5204 -17.5958 -51.1631 35.4767 21.5204 35.4767 3.03397 GPRESSAVG: 4586400 61.5611 -16.7756 20.9366 -16.8024 -52.6068 35.364 21.4366 34.102 3.45848 TIMING: 4586400 CPU: 14806.3, 0.003118/step Wall: 14806.3, 0.003118/step, 0.358223 hours remaining, 235.453125 MB of memory in use. ENERGY: 4586400 3971.3700 20370.6907 14459.9994 248.8816 -203396.1323 2849.0945 0.0000 0.0000 52441.6119 -109054.4843 301.3827 -161496.0962 -108682.0837 300.2503 -101.5723 -75.3869 761642.7945 4.1757 4.1376 PRESSURE: 4586600 -61.3833 195.633 -154.781 195.633 -43.7619 -250.993 -154.781 -250.992 257.095 GPRESSURE: 4586600 -39.4093 202.053 -85.4832 93.7576 -15.6314 -187.926 -127.017 -127.915 305.694 PRESSAVG: 4586600 35.6354 -54.185 26.9062 -54.185 -41.12 3.19005 26.9062 3.19015 4.71261 GPRESSAVG: 4586600 34.8145 -57.0971 28.9013 -53.1537 -40.9763 3.18841 25.8216 3.3482 5.00115 TIMING: 4586600 CPU: 14806.9, 0.00314909/step Wall: 14806.9, 0.00314909/step, 0.361621 hours remaining, 235.453125 MB of memory in use. ENERGY: 4586600 3978.2261 20552.4822 14458.4275 258.7941 -202746.6947 2118.8039 0.0000 0.0000 52401.8474 -108978.1135 301.1541 -161379.9609 -108613.1613 300.0985 50.6500 83.5511 761598.8949 -0.2573 -0.3869 PRESSURE: 4586800 -203.81 -101.859 -109.832 -101.859 -349.256 -88.9344 -109.832 -88.935 -458.927 GPRESSURE: 4586800 -261.553 -57.0495 -122.963 -115.133 -271.079 -13.6622 98.2603 -88.1349 -390.717 PRESSAVG: 4586800 20.2741 -39.8655 -36.46 -39.8655 -59.4624 26.1011 -36.46 26.1011 14.9191 GPRESSAVG: 4586800 20.6011 -38.6243 -38.0602 -40.5949 -59.3589 26.5619 -33.9973 28.1481 14.7362 TIMING: 4586800 CPU: 14807.6, 0.00316369/step Wall: 14807.6, 0.00316369/step, 0.363121 hours remaining, 235.453125 MB of memory in use. ENERGY: 4586800 4120.7022 20495.9321 14409.8342 266.1166 -203036.0434 2406.4596 0.0000 0.0000 52164.9450 -109172.0537 299.7927 -161336.9987 -108811.1747 299.9031 -337.3312 -307.7828 760765.3927 -8.0897 -8.0072 PRESSURE: 4587000 -151.531 390.57 -73.0851 390.569 -82.5875 -20.0578 -73.0845 -20.0577 145.863 GPRESSURE: 4587000 -108.905 274.606 -123.209 370.507 -7.63779 -76.7871 -94.8677 128.127 120.132 PRESSAVG: 4587000 84.0253 -5.2257 -27.1952 -5.22573 -51.4519 -42.1636 -27.1953 -42.1636 9.46046 GPRESSAVG: 4587000 84.7808 -5.35105 -26.3257 -4.99922 -51.3395 -44.1682 -28.3158 -41.3624 8.38719 TIMING: 4587000 CPU: 14808.2, 0.00313914/step Wall: 14808.2, 0.00313914/step, 0.360129 hours remaining, 235.453125 MB of memory in use. ENERGY: 4587000 3978.3321 20386.9777 14413.9558 251.9234 -202781.0576 2233.6271 0.0000 0.0000 52266.3261 -109249.9155 300.3753 -161516.2415 -108888.7279 299.5721 -29.4185 1.1964 759809.1815 14.0113 13.9429 PRESSURE: 4587200 -278.018 15.3622 -143.901 15.3611 -240.215 57.282 -143.901 57.2826 -109.005 GPRESSURE: 4587200 -219.684 -9.63718 -70.4803 23.9295 -118.112 7.25541 -103.95 -14.5754 -193.115 PRESSAVG: 4587200 44.8493 -1.33973 27.958 -1.33973 0.201952 -7.47743 27.9581 -7.47736 17.9635 GPRESSAVG: 4587200 45.2772 -1.1174 27.5242 -1.40408 0.154392 -5.74665 27.9442 -7.71668 17.7978 TIMING: 4587200 CPU: 14808.8, 0.00314111/step Wall: 14808.8, 0.00314111/step, 0.36018 hours remaining, 235.453125 MB of memory in use. ENERGY: 4587200 3971.1434 20463.6043 14505.5263 232.8981 -202972.2335 2490.7058 0.0000 0.0000 52063.5076 -109244.8480 299.2097 -161308.3556 -108893.5334 299.6281 -209.0796 -176.9705 759556.2174 21.0049 21.0765 PRESSURE: 4587400 -237.779 -49.5133 -54.5683 -49.5128 -36.1301 -6.40386 -54.5691 -6.40453 51.5204 GPRESSURE: 4587400 -165.046 -25.1962 -130.813 -67.994 -29.2084 54.1894 -24.368 -35.3389 77.4814 PRESSAVG: 4587400 8.40861 -5.13261 -33.7529 -5.13262 2.58133 10.1902 -33.7528 10.1901 -0.895418 GPRESSAVG: 4587400 8.1495 -4.71012 -34.4675 -5.99349 3.22344 10.0957 -35.4499 7.89704 -0.950568 TIMING: 4587400 CPU: 14809.5, 0.00314578/step Wall: 14809.5, 0.00314578/step, 0.360542 hours remaining, 235.453125 MB of memory in use. ENERGY: 4587400 4028.6879 20314.5617 14517.3300 257.2243 -202968.7873 2287.3948 0.0000 0.0000 52249.2609 -109314.3275 300.2772 -161563.5885 -108942.0621 299.7462 -74.1296 -38.9244 760243.3940 3.3648 3.4741 PRESSURE: 4587600 74.6867 -58.5937 -77.2281 -58.595 10.4529 -8.66695 -77.2282 -8.66717 378.973 GPRESSURE: 4587600 224.288 -70.4036 -177.176 -25.2828 -5.94656 4.24602 41.5453 -77.9722 330.94 PRESSAVG: 4587600 9.36967 -11.1206 13.9605 -11.1206 -12.5243 24.5454 13.9605 24.5455 -14.0814 GPRESSAVG: 4587600 9.14037 -12.0379 13.3596 -10.8395 -11.8166 25.4304 15.9143 24.2279 -14.3663 TIMING: 4587600 CPU: 14810.1, 0.00314138/step Wall: 14810.1, 0.00314138/step, 0.359862 hours remaining, 235.453125 MB of memory in use. ENERGY: 4587600 3932.6218 20483.0080 14448.6422 246.5441 -202868.1017 2313.3029 0.0000 0.0000 52063.2936 -109380.6892 299.2085 -161443.9828 -109016.2806 299.8425 154.7043 183.0939 760262.5409 -5.7453 -5.6809 PRESSURE: 4587800 124.849 -35.1661 61.4791 -35.1647 219.744 123.634 61.4788 123.634 -1.15561 GPRESSURE: 4587800 150.009 -72.4867 14.0962 -13.2321 227.003 73.0362 78.2625 112.604 34.482 PRESSAVG: 4587800 23.7956 -7.68924 6.24109 -7.68928 -40.8398 -55.1947 6.24105 -55.1947 -5.03761 GPRESSAVG: 4587800 23.0621 -5.78202 7.09242 -7.39609 -41.394 -54.8914 3.63487 -55.5369 -3.85977 TIMING: 4587800 CPU: 14810.7, 0.00314619/step Wall: 14810.7, 0.00314619/step, 0.360238 hours remaining, 235.453125 MB of memory in use. ENERGY: 4587800 3992.0209 20392.1938 14458.7437 239.6492 -203213.6185 2537.1703 0.0000 0.0000 52216.7238 -109377.1168 300.0902 -161593.8406 -109013.2737 299.4128 114.4791 137.1648 760197.2219 -7.3606 -7.3972 PRESSURE: 4588000 113.245 -79.3822 371.995 -79.382 152.697 95.2166 371.995 95.2174 243 GPRESSURE: 4588000 224.21 -116.832 348.85 -172.547 186.522 4.51556 332.961 57.5468 195.486 PRESSAVG: 4588000 71.4103 -49.7151 36.5522 -49.715 -70.5027 16.5907 36.5521 16.5907 10.9928 GPRESSAVG: 4588000 73.1801 -50.0564 35.1617 -51.0919 -71.5883 13.4028 40.2419 16.4131 10.2574 TIMING: 4588000 CPU: 14811.3, 0.00313656/step Wall: 14811.3, 0.00313656/step, 0.358962 hours remaining, 235.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4588000 4015.7714 20560.1341 14427.0957 246.2856 -203678.3239 2749.8668 0.0000 0.0000 52025.7745 -109653.3957 298.9928 -161679.1702 -109306.6437 299.1383 169.6472 202.0726 758969.7811 3.9668 3.9497 PRESSURE: 4588200 -19.652 -13.5088 76.9175 -13.5096 -26.7326 102.787 76.9175 102.786 64.7457 GPRESSURE: 4588200 -39.6556 11.4649 78.9379 -92.871 -4.81172 98.0838 121.517 233.935 134.01 PRESSAVG: 4588200 -2.65272 -35.8251 20.4246 -35.8251 18.4086 -20.6785 20.4246 -20.6785 -6.80953 GPRESSAVG: 4588200 -3.38997 -33.769 21.8619 -35.9664 19.1443 -19.5863 19.5388 -20.3599 -7.43842 TIMING: 4588200 CPU: 14812, 0.00313992/step Wall: 14812, 0.00313992/step, 0.359172 hours remaining, 235.453125 MB of memory in use. ENERGY: 4588200 3943.3795 20549.0219 14549.5514 250.2113 -203535.5870 2414.7167 0.0000 0.0000 52004.9046 -109823.8016 298.8729 -161828.7062 -109457.6871 298.8528 6.1204 29.8477 761169.4741 2.9821 2.7720 LDB: ============= START OF LOAD BALANCING ============== 14824.4 LDB: ============== END OF LOAD BALANCING =============== 14824.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14824.4 LDB: ============= START OF LOAD BALANCING ============== 14824.7 LDB: Largest compute 7025 load 0.036367 is 18.6% of average load 0.195585 LDB: Average compute 0.004409 is 2.3% of average load 0.195585 LDB: TIME 14824.7 LOAD: AVG 0.195585 MAX 0.213089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 14824.7 LOAD: AVG 0.195585 MAX 0.213089 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 14824.7 LOAD: AVG 0.195585 MAX 0.213089 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 14824.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14824.7 PRESSURE: 4588400 -307.6 -84.7642 47.9124 -84.7643 -245.237 -13.7109 47.9123 -13.7097 307.976 GPRESSURE: 4588400 -250.212 -107.577 -59.0793 -54.2786 -251.23 4.76443 162.028 -26.668 325.344 PRESSAVG: 4588400 -36.205 -16.7473 48.8814 -16.7472 9.05575 33.4424 48.8814 33.4425 18.3991 GPRESSAVG: 4588400 -36.3381 -20.5009 48.8715 -15.601 9.30385 34.3254 46.4861 33.1032 18.4676 TIMING: 4588400 CPU: 14812.6, 0.00319712/step Wall: 14812.6, 0.00319712/step, 0.365538 hours remaining, 234.625000 MB of memory in use. ENERGY: 4588400 3886.7017 20609.6892 14532.1240 254.1459 -203500.5077 2442.9974 0.0000 0.0000 51905.5523 -109869.2972 298.3019 -161774.8495 -109521.2048 299.1060 -81.6205 -58.6992 761380.4360 -2.9167 -2.8556 PRESSURE: 4588600 155.636 -144.278 -137.353 -144.278 -236.442 -273.255 -137.352 -273.255 -213.156 GPRESSURE: 4588600 40.8751 -176.801 -41.3062 -180.803 -94.6644 -210.948 -82.9859 -355.876 -145.865 PRESSAVG: 4588600 71.6136 -58.5949 1.6958 -58.5948 -42.2061 -8.45558 1.69581 -8.45564 16.1726 GPRESSAVG: 4588600 71.8362 -58.8678 2.67252 -59.1742 -42.3972 -10.6808 5.15481 -6.72769 15.8959 TIMING: 4588600 CPU: 14813.2, 0.0031234/step Wall: 14813.2, 0.0031234/step, 0.356935 hours remaining, 234.882812 MB of memory in use. ENERGY: 4588600 3897.6931 20554.4383 14514.4042 252.5530 -203661.3679 2371.6589 0.0000 0.0000 51977.2707 -110093.3496 298.7141 -162070.6204 -109728.6637 298.5114 -97.9871 -66.5513 759879.5581 15.1934 15.1117 PRESSURE: 4588800 84.2273 -177.802 255.282 -177.802 -3.23033 -32.4906 255.282 -32.4913 -316.812 GPRESSURE: 4588800 154.013 -325.451 299.577 -181.279 -21.3292 -50.9812 63.0545 96.2747 -288.912 PRESSAVG: 4588800 60.6706 -78.8571 10.3653 -78.8571 -57.7651 27.9374 10.3653 27.9374 -10.5058 GPRESSAVG: 4588800 60.7063 -77.3783 10.9177 -78.215 -57.1297 30.9864 7.85241 26.6669 -11.3759 TIMING: 4588800 CPU: 14813.9, 0.00314791/step Wall: 14813.9, 0.00314791/step, 0.359562 hours remaining, 234.882812 MB of memory in use. ENERGY: 4588800 4037.4591 20464.1016 14396.3267 254.3862 -203449.1879 2366.9020 0.0000 0.0000 51815.8081 -110114.2042 297.7862 -161930.0122 -109745.3760 298.1992 -78.6049 -52.0760 759479.8596 -2.5334 -2.5998 PRESSURE: 4589000 -124.772 70.8997 217.041 70.8992 -246.34 311.721 217.04 311.722 138.709 GPRESSURE: 4589000 -76.2357 97.9793 204.193 95.9815 -141.693 286.185 378.073 116.987 74.0347 PRESSAVG: 4589000 24.3832 -51.9326 57.7969 -51.9326 -31.1028 -6.76611 57.7968 -6.76618 8.0694 GPRESSAVG: 4589000 24.6272 -50.4599 56.7071 -51.2942 -31.645 -7.52003 57.675 -8.3749 8.60586 TIMING: 4589000 CPU: 14814.5, 0.00313348/step Wall: 14814.5, 0.00313348/step, 0.357739 hours remaining, 234.882812 MB of memory in use. ENERGY: 4589000 3963.2986 20355.8279 14568.2412 240.7462 -203494.8869 2280.9870 0.0000 0.0000 52076.0505 -110009.7355 299.2818 -162085.7859 -109638.5806 298.0138 -77.4677 -47.9645 759544.2419 0.4499 0.5293 PRESSURE: 4589200 305.746 -149.855 -90.7759 -149.855 -41.9388 -94.894 -90.7765 -94.8934 -127.365 GPRESSURE: 4589200 280.505 -60.8597 -75.4847 -163.349 14.0087 -141.946 -143.448 -38.6549 -72.7732 PRESSAVG: 4589200 31.0465 -26.7794 2.25413 -26.7794 -27.1875 5.55011 2.25416 5.55029 -0.286313 GPRESSAVG: 4589200 30.5738 -28.4667 4.02578 -27.1102 -27.1399 4.53886 2.54689 7.08227 1.33874 TIMING: 4589200 CPU: 14815.1, 0.00311498/step Wall: 14815.1, 0.00311498/step, 0.355453 hours remaining, 235.097656 MB of memory in use. ENERGY: 4589200 4010.4554 20590.7504 14461.0000 251.3111 -203352.4504 2316.0792 0.0000 0.0000 51800.5568 -109922.2975 297.6985 -161722.8543 -109554.6029 298.3883 45.4808 73.9136 759572.3202 1.1909 1.5909 PRESSURE: 4589400 -188.538 -89.5138 140.25 -89.5138 15.7379 75.5379 140.249 75.5376 218.438 GPRESSURE: 4589400 -160.707 -110.479 144.85 -30.6769 81.8696 125.696 139.783 94.3007 209.639 PRESSAVG: 4589400 37.8932 -22.584 16.9308 -22.584 -43.5454 9.42771 16.9309 9.42765 -1.47138 GPRESSAVG: 4589400 39.0164 -20.5604 16.0856 -24.2611 -44.4412 10.4058 15.4827 11.6164 -2.74036 TIMING: 4589400 CPU: 14815.7, 0.00313237/step Wall: 14815.7, 0.00313237/step, 0.357264 hours remaining, 235.097656 MB of memory in use. ENERGY: 4589400 4018.8706 20516.8822 14358.1257 251.2085 -203699.6570 2542.8089 0.0000 0.0000 52108.7437 -109903.0174 299.4697 -162011.7610 -109536.2329 298.5134 15.2125 43.6005 758687.2424 -2.3745 -2.7217 PRESSURE: 4589600 32.3211 -29.4541 173.821 -29.4541 -116.422 -117.155 173.822 -117.154 -0.989139 GPRESSURE: 4589600 132.099 -13.4867 172.453 8.30824 -180.069 -122.422 139.979 -186.168 14.9959 PRESSAVG: 4589600 12.1782 15.006 -2.59108 15.006 -29.6678 -63.5272 -2.59105 -63.5272 14.9223 GPRESSAVG: 4589600 12.1485 14.2779 -2.90468 15.1654 -29.1788 -63.0834 -1.11431 -65.543 14.4115 TIMING: 4589600 CPU: 14816.4, 0.00314752/step Wall: 14816.4, 0.00314752/step, 0.358817 hours remaining, 235.097656 MB of memory in use. ENERGY: 4589600 4008.9382 20542.7342 14490.0860 221.8240 -203850.2794 2797.3896 0.0000 0.0000 51980.6082 -109808.6992 298.7333 -161789.3074 -109451.7065 298.4986 -28.3634 -10.9912 760563.3001 -0.8557 -0.8729 PRESSURE: 4589800 -187.547 -73.1744 -153.969 -73.1745 -247.915 -84.7406 -153.969 -84.7417 -178.895 GPRESSURE: 4589800 -132.035 -265.397 -139.577 -85.9918 -233.44 -3.37385 -18.3734 -158.484 -150.914 PRESSAVG: 4589800 -21.1108 -20.1946 2.89223 -20.1946 -28.1166 -16.0124 2.89223 -16.0124 12.2761 GPRESSAVG: 4589800 -20.0897 -21.1225 4.05085 -17.7803 -29.2103 -16.3042 4.40681 -16.2125 12.6591 TIMING: 4589800 CPU: 14817, 0.00314723/step Wall: 14817, 0.00314723/step, 0.358609 hours remaining, 235.097656 MB of memory in use. ENERGY: 4589800 4062.5112 20432.3076 14400.3049 255.2420 -202861.3163 2138.9086 0.0000 0.0000 51982.1002 -109589.9419 298.7418 -161572.0421 -109224.0000 299.0756 -204.7854 -172.1296 761710.6406 -12.3171 -12.2136 PRESSURE: 4590000 -70.6053 -187.888 118.786 -187.889 146.588 125.247 118.787 125.247 169.25 GPRESSURE: 4590000 -23.5118 -96.4739 134.654 -243.51 138.243 156.058 128.665 172.052 210.416 PRESSAVG: 4590000 -28.514 -37.8309 -30.0875 -37.8309 16.6088 -23.1896 -30.0875 -23.1896 3.00139 GPRESSAVG: 4590000 -28.8548 -37.8852 -30.4106 -39.7174 16.4524 -24.7123 -31.1057 -21.3312 3.4406 TIMING: 4590000 CPU: 14817.6, 0.00315707/step Wall: 14817.6, 0.00315707/step, 0.359556 hours remaining, 235.097656 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: 4590000 3938.8416 20572.7138 14477.4150 262.2013 -203094.7015 2497.2249 0.0000 0.0000 51863.2264 -109483.0785 298.0587 -161346.3049 -109127.8685 299.3662 81.7444 108.3826 761103.5334 -2.9679 -2.9872 PRESSURE: 4590200 -66.0906 -9.42329 227.928 -9.42432 -81.4167 105.155 227.928 105.154 -295.87 GPRESSURE: 4590200 -101.45 -17.2999 250.293 -122.161 -20.5612 23.9833 85.0789 81.7731 -243.54 PRESSAVG: 4590200 -30.6748 -3.54818 50.9021 -3.54817 16.1032 23.2306 50.902 23.2305 -13.7027 GPRESSAVG: 4590200 -31.5016 -1.90675 50.7254 -4.09736 16.3736 25.0223 49.7763 23.0748 -12.9319 TIMING: 4590200 CPU: 14818.3, 0.00316153/step Wall: 14818.3, 0.00316153/step, 0.359888 hours remaining, 235.097656 MB of memory in use. ENERGY: 4590200 4005.6538 20654.4713 14409.3963 252.7777 -203421.3848 2345.4250 0.0000 0.0000 52273.9112 -109479.7495 300.4189 -161753.6606 -109105.7019 299.2785 -147.7925 -121.8505 760799.9468 -9.4248 -9.3533 PRESSURE: 4590400 64.4973 47.9374 142.142 47.9371 -330.052 28.4995 142.142 28.4992 -162.114 GPRESSURE: 4590400 51.5693 85.5513 182.81 -62.2532 -174.433 58.0428 165.898 26.4246 -195.646 PRESSAVG: 4590400 52.1823 -4.83424 50.3548 -4.8343 -63.6935 11.7724 50.3548 11.7724 -16.6349 GPRESSAVG: 4590400 51.8727 -6.45059 51.8639 -3.03198 -61.9896 10.6027 51.9884 10.9512 -17.6159 TIMING: 4590400 CPU: 14818.9, 0.0031474/step Wall: 14818.9, 0.0031474/step, 0.358104 hours remaining, 235.097656 MB of memory in use. ENERGY: 4590400 3971.7871 20627.8687 14452.5382 236.6658 -203046.0566 2335.3869 0.0000 0.0000 51805.1034 -109616.7066 297.7246 -161421.8099 -109252.3236 299.0309 -142.5561 -106.1699 761043.7706 -9.3820 -9.2443 PRESSURE: 4590600 -26.1445 -37.5736 -222.634 -37.5728 82.6202 -124.275 -222.634 -124.275 436.924 GPRESSURE: 4590600 -82.0094 -67.4487 -139.716 -31.6534 199.346 -97.35 -120.592 -35.404 457.052 PRESSAVG: 4590600 7.89932 20.768 29.0329 20.768 19.2086 -29.4951 29.0329 -29.4951 16.0761 GPRESSAVG: 4590600 8.37173 20.4868 25.3943 21.4699 18.3162 -27.1855 28.4025 -29.9707 16.175 TIMING: 4590600 CPU: 14819.5, 0.00313539/step Wall: 14819.5, 0.00313539/step, 0.356563 hours remaining, 235.097656 MB of memory in use. ENERGY: 4590600 3935.2568 20462.9577 14446.1008 236.0754 -203877.5414 2958.9135 0.0000 0.0000 52230.9820 -109607.2552 300.1722 -161838.2372 -109239.1668 298.8601 164.4667 191.4630 760251.6450 14.3947 14.2877 PRESSURE: 4590800 -149.721 -91.3099 102.72 -91.3095 -230.502 -111.824 102.72 -111.824 -211.813 GPRESSURE: 4590800 -106.806 -132.997 88.1344 38.7965 -281.637 -178.637 -44.1638 -97.1203 -124.97 PRESSAVG: 4590800 13.0879 -39.53 -6.64682 -39.53 35.0832 -8.86693 -6.64678 -8.86697 -5.94249 GPRESSAVG: 4590800 13.7441 -38.3705 -4.63758 -41.4819 35.0115 -9.97456 -6.70564 -7.61137 -6.29203 TIMING: 4590800 CPU: 14820.2, 0.00313704/step Wall: 14820.2, 0.00313704/step, 0.356577 hours remaining, 235.097656 MB of memory in use. ENERGY: 4590800 4001.8373 20614.3609 14447.9465 225.9234 -203563.1523 2605.2148 0.0000 0.0000 52182.5491 -109485.3203 299.8938 -161667.8694 -109122.3335 299.2700 -197.3455 -171.1374 762387.5733 14.0762 14.1545 PRESSURE: 4591000 80.1356 -219.723 66.588 -219.723 -116.09 -128.963 66.5883 -128.963 -71.7578 GPRESSURE: 4591000 109.218 -131.752 94.3303 -183.491 -139.262 -207.164 118.345 -118.055 -4.43285 PRESSAVG: 4591000 31.3151 -83.244 -31.5439 -83.244 -1.71181 -15.7935 -31.544 -15.7935 -8.93597 GPRESSAVG: 4591000 30.7531 -81.361 -32.0109 -83.4298 -2.49719 -16.9584 -30.8385 -16.8887 -7.09721 TIMING: 4591000 CPU: 14820.8, 0.00313201/step Wall: 14820.8, 0.00313201/step, 0.355831 hours remaining, 235.097656 MB of memory in use. ENERGY: 4591000 3976.5157 20644.7515 14385.3846 250.0445 -203020.4785 2265.2655 0.0000 0.0000 51804.8327 -109693.6841 297.7231 -161498.5167 -109329.9691 298.9796 -35.9040 -11.4921 761459.6709 6.8891 7.0529 PRESSURE: 4591200 -176.711 -210.562 -150.218 -210.563 -361.777 186.723 -150.217 186.721 -138.483 GPRESSURE: 4591200 -137.921 -292.772 -75.6966 -163.469 -332.49 160.387 -130.427 288.336 -133.95 PRESSAVG: 4591200 -41.8503 -58.5755 -13.4612 -58.5755 26.185 -33.8485 -13.4612 -33.8485 23.8804 GPRESSAVG: 4591200 -41.4538 -61.0724 -13.9067 -55.5435 27.7862 -32.5549 -14.3596 -34.1287 21.9165 TIMING: 4591200 CPU: 14821.4, 0.0031402/step Wall: 14821.4, 0.0031402/step, 0.356587 hours remaining, 235.097656 MB of memory in use. ENERGY: 4591200 4083.9055 20646.5441 14478.7615 234.5134 -203228.6540 2378.8383 0.0000 0.0000 51735.7844 -109670.3068 297.3263 -161406.0911 -109316.5281 298.5317 -225.6570 -201.4539 761815.5082 2.7384 2.7497 PRESSURE: 4591400 -187.14 32.2806 205.702 32.282 -91.1624 58.1596 205.703 58.158 -263.275 GPRESSURE: 4591400 -40.2398 113.774 145.96 12.7843 -129.084 141.565 159.361 104.153 -294.839 PRESSAVG: 4591400 43.6264 -13.0385 7.77781 -13.0386 0.98535 38.3422 7.77778 38.3422 -4.74502 GPRESSAVG: 4591400 42.4415 -13.5669 7.08589 -14.198 1.26143 37.1518 9.19453 39.3379 -3.23716 TIMING: 4591400 CPU: 14822, 0.00313823/step Wall: 14822, 0.00313823/step, 0.356189 hours remaining, 235.097656 MB of memory in use. ENERGY: 4591400 3965.4687 20517.8400 14461.0051 236.9591 -203067.7075 2197.4941 0.0000 0.0000 52047.8581 -109641.0825 299.1198 -161688.9406 -109270.9951 298.7208 -180.5257 -154.7211 762197.9648 13.2889 13.4886 PRESSURE: 4591600 67.9373 21.1343 -57.6591 21.1345 -129.245 -29.8401 -57.6589 -29.8403 -8.69519 GPRESSURE: 4591600 140.998 88.7776 -102.41 34.9196 -93.2328 -120.887 -66.6986 100.877 -41.1738 PRESSAVG: 4591600 33.7562 -25.4642 -11.5722 -25.4643 5.30988 26.69 -11.5722 26.6901 -17.5253 GPRESSAVG: 4591600 34.5343 -24.2451 -11.6071 -26.2125 4.86093 27.5482 -12.75 25.9476 -17.7013 TIMING: 4591600 CPU: 14822.7, 0.00314445/step Wall: 14822.7, 0.00314445/step, 0.35672 hours remaining, 235.097656 MB of memory in use. ENERGY: 4591600 3952.5695 20566.5775 14503.6726 251.4665 -203395.5847 2441.1072 0.0000 0.0000 52031.8114 -109648.3799 299.0275 -161680.1913 -109291.7540 299.0287 -23.3342 2.1970 761015.3252 7.1803 7.2313 PRESSURE: 4591800 -361.981 -14.3786 -106.354 -14.3782 -522.342 37.8453 -106.354 37.8451 -371.377 GPRESSURE: 4591800 -399.138 -34.5406 -89.761 -17.9088 -385.713 19.0278 -26.8165 -18.0295 -372.731 PRESSAVG: 4591800 23.5203 7.18162 0.0415285 7.18163 -23.6135 2.08444 0.0415191 2.08454 -29.1694 GPRESSAVG: 4591800 22.9697 6.77146 2.06578 7.1908 -23.3816 2.44984 -0.863805 1.91722 -28.9878 TIMING: 4591800 CPU: 14823.3, 0.00315661/step Wall: 14823.3, 0.00315661/step, 0.357924 hours remaining, 235.097656 MB of memory in use. ENERGY: 4591800 4005.6142 20625.7321 14495.3277 246.6964 -203355.5518 2154.5194 0.0000 0.0000 52178.1184 -109649.5436 299.8684 -161827.6620 -109284.9827 299.2935 -418.5669 -385.8608 760542.3302 -9.7542 -9.7999 PRESSURE: 4592000 55.4862 70.1988 -67.005 70.1988 318.339 47.6918 -67.0052 47.6918 -10.8992 GPRESSURE: 4592000 159.502 -35.7153 -64.2587 -8.45973 373.16 19.9375 -63.3749 -44.0182 -69.8955 PRESSAVG: 4592000 -32.2544 -12.163 -51.9453 -12.163 22.9619 -10.4422 -51.9452 -10.4422 6.59514 GPRESSAVG: 4592000 -31.6756 -12.5839 -52.7009 -13.7069 24.1915 -9.40961 -52.0355 -10.8667 5.83956 TIMING: 4592000 CPU: 14823.9, 0.00313935/step Wall: 14823.9, 0.00313935/step, 0.355793 hours remaining, 235.097656 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: 4592000 4079.8367 20371.3953 14485.2183 232.5829 -203805.6276 2809.7083 0.0000 0.0000 52281.0634 -109545.8228 300.4600 -161826.8861 -109186.9181 299.5159 120.9753 154.2553 758526.7789 -0.8991 -0.5482 PRESSURE: 4592200 238.797 -40.0067 15.4598 -40.0071 -77.9529 106.904 15.46 106.904 77.7019 GPRESSURE: 4592200 141.771 20.7264 -0.0450037 -123.496 105.92 87.227 92.6189 71.8178 74.0277 PRESSAVG: 4592200 11.9251 5.55241 5.08616 5.55237 16.9075 -15.2625 5.08612 -15.2625 -3.15886 GPRESSAVG: 4592200 11.7788 3.25803 4.07523 7.97986 16.0095 -15.5817 5.71398 -16.2274 -2.45662 TIMING: 4592200 CPU: 14824.6, 0.00315244/step Wall: 14824.6, 0.00315244/step, 0.357101 hours remaining, 235.097656 MB of memory in use. ENERGY: 4592200 4039.0622 20503.0212 14516.9509 237.7734 -203740.8271 2656.2430 0.0000 0.0000 52367.3258 -109420.4505 300.9557 -161787.7763 -109051.5851 299.8585 79.5153 107.2396 758997.8760 8.5579 8.4439 LDB: ============= START OF LOAD BALANCING ============== 14837 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14837 LDB: =============== DONE WITH MIGRATION ================ 14837 LDB: ============= START OF LOAD BALANCING ============== 14837.3 LDB: Largest compute 7025 load 0.034782 is 17.8% of average load 0.195506 LDB: Average compute 0.004418 is 2.3% of average load 0.195506 LDB: TIME 14837.3 LOAD: AVG 0.195506 MAX 0.213958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 14837.3 LOAD: AVG 0.195506 MAX 0.213958 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: TIME 14837.3 LOAD: AVG 0.195506 MAX 0.213958 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: ============== END OF LOAD BALANCING =============== 14837.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14837.3 PRESSURE: 4592400 -404.94 213.293 -137.132 213.292 228.241 70.1909 -137.131 70.1912 -767.969 GPRESSURE: 4592400 -249.006 299.818 -162.31 172.399 166.216 226.272 -112.14 167.083 -765.353 PRESSAVG: 4592400 40.1279 -17.4564 -1.32808 -17.4565 5.72079 -22.9256 -1.32814 -22.9256 36.3776 GPRESSAVG: 4592400 41.0126 -14.4163 -0.404993 -19.793 5.89539 -24.4663 -2.28978 -20.147 35.7443 TIMING: 4592400 CPU: 14825.2, 0.00320735/step Wall: 14825.2, 0.00320735/step, 0.363144 hours remaining, 235.968750 MB of memory in use. ENERGY: 4592400 4027.1859 20600.3437 14465.1358 252.1025 -203424.9935 2331.0540 0.0000 0.0000 52028.2616 -109720.9100 299.0071 -161749.1716 -109365.4040 299.4896 -314.8892 -282.7141 758947.8397 27.4088 27.5507 PRESSURE: 4592600 147.019 -209.748 -162.666 -209.749 263.88 -64.7884 -162.666 -64.79 157.308 GPRESSURE: 4592600 250.542 -181.952 -186.845 -224.632 221.345 -28.279 0.570926 -203.812 172.287 PRESSAVG: 4592600 18.4918 -61.0076 -0.0551114 -61.0076 14.9922 -22.8106 -0.0551221 -22.8107 3.64657 GPRESSAVG: 4592600 19.6524 -61.3191 -0.0735133 -61.6344 14.204 -21.9728 3.21689 -24.5502 3.51615 TIMING: 4592600 CPU: 14825.8, 0.00316113/step Wall: 14825.8, 0.00316113/step, 0.357735 hours remaining, 236.171875 MB of memory in use. ENERGY: 4592600 3996.4449 20492.6108 14522.6410 252.6166 -203578.2573 2572.5311 0.0000 0.0000 52035.8939 -109705.5191 299.0510 -161741.4130 -109352.4208 298.1829 189.4024 214.7244 758747.6399 12.3769 12.4575 PRESSURE: 4592800 -505.6 -46.6306 -21.2365 -46.6307 -334.813 -174.227 -21.2364 -174.227 42.7448 GPRESSURE: 4592800 -411.657 -61.5408 50.5321 -43.8609 -235.888 -122.29 -9.00252 -254.021 -65.3277 PRESSAVG: 4592800 -53.863 19.6781 10.586 19.6781 41.9267 -24.4551 10.586 -24.4551 -4.61976 GPRESSAVG: 4592800 -53.102 18.8806 9.4188 22.2495 42.4036 -23.978 10.4615 -23.6703 -5.3012 TIMING: 4592800 CPU: 14826.5, 0.00316733/step Wall: 14826.5, 0.00316733/step, 0.35826 hours remaining, 236.171875 MB of memory in use. ENERGY: 4592800 3917.1223 20463.7316 14457.5650 241.8314 -203044.3611 2293.2497 0.0000 0.0000 52205.5489 -109465.3123 300.0260 -161670.8612 -109102.2117 298.9217 -265.8893 -237.6240 761569.0496 -5.5187 -5.3332 PRESSURE: 4593000 -290.818 -156.656 45.7828 -156.656 -174.992 322.4 45.783 322.398 -2.52481 GPRESSURE: 4593000 -340.201 -94.8206 129.385 -126.522 -77.5886 250.976 16.5299 222.528 37.5818 PRESSAVG: 4593000 42.4096 -35.6098 2.60012 -35.6098 -27.9263 -24.3009 2.60008 -24.3009 -3.62892 GPRESSAVG: 4593000 41.0261 -35.9933 3.64995 -36.9247 -27.9347 -23.9516 2.51595 -24.2855 -2.64019 TIMING: 4593000 CPU: 14827.1, 0.00315782/step Wall: 14827.1, 0.00315782/step, 0.357009 hours remaining, 236.171875 MB of memory in use. ENERGY: 4593000 4000.6290 20469.3306 14499.3065 241.6323 -203057.8944 2273.4907 0.0000 0.0000 51891.4287 -109682.0766 298.2208 -161573.5053 -109323.1926 298.9694 -156.1115 -126.7359 759294.0070 3.6181 3.4838 PRESSURE: 4593200 390.281 -26.4239 38.8651 -26.4249 382.959 -23.804 38.8649 -23.8043 -150.628 GPRESSURE: 4593200 416.206 -2.60155 38.2266 -3.38618 376.648 -95.9833 -15.1894 -85.6147 -75.9823 PRESSAVG: 4593200 -40.7787 -16.1003 10.1753 -16.1003 -13.7887 -35.3367 10.1752 -35.3366 -7.58901 GPRESSAVG: 4593200 -40.2478 -17.0129 8.64101 -13.9587 -14.973 -36.8664 8.69852 -33.9271 -7.05761 TIMING: 4593200 CPU: 14827.7, 0.00315398/step Wall: 14827.7, 0.00315398/step, 0.3564 hours remaining, 236.171875 MB of memory in use. ENERGY: 4593200 3921.7962 20513.9408 14514.2688 252.3169 -203424.3381 2541.7666 0.0000 0.0000 52147.6478 -109532.6011 299.6932 -161680.2489 -109168.7734 298.9000 207.5376 238.9575 760978.2955 -20.7188 -20.7595 PRESSURE: 4593400 38.0016 -41.4263 178.331 -41.4271 -238.682 123.791 178.331 123.791 -217.42 GPRESSURE: 4593400 35.9156 -52.3115 189.333 43.7809 -115.632 139.716 174.558 -12.3132 -221.181 PRESSAVG: 4593400 35.5887 -1.7276 4.94047 -1.72752 2.88206 -15.3086 4.94044 -15.3086 -21.2411 GPRESSAVG: 4593400 35.6662 -0.364881 6.35593 -3.2669 3.61914 -12.9546 5.9183 -17.3584 -22.0612 TIMING: 4593400 CPU: 14828.4, 0.0031583/step Wall: 14828.4, 0.0031583/step, 0.356713 hours remaining, 236.171875 MB of memory in use. ENERGY: 4593400 3972.3263 20467.6802 14484.3512 253.7082 -203089.8564 2328.8244 0.0000 0.0000 52123.2063 -109459.7600 299.5528 -161582.9662 -109097.4132 298.9863 -139.3667 -100.2993 760811.3442 5.7432 5.7414 PRESSURE: 4593600 66.6333 172.766 318.26 172.766 -145.048 -22.8413 318.26 -22.842 512.349 GPRESSURE: 4593600 80.6998 231.644 317.022 124.779 -8.96583 -79.4551 220.554 -39.1291 456.171 PRESSAVG: 4593600 -30.7792 38.2972 65.6788 38.2971 7.64673 -69.1366 65.6788 -69.1367 0.94544 GPRESSAVG: 4593600 -30.9376 35.3135 67.4789 38.5888 8.23055 -71.7247 63.4799 -70.0437 1.07785 TIMING: 4593600 CPU: 14829, 0.00315012/step Wall: 14829, 0.00315012/step, 0.355614 hours remaining, 236.171875 MB of memory in use. ENERGY: 4593600 4058.7630 20482.0879 14503.5841 250.0712 -203398.4919 2748.8586 0.0000 0.0000 51925.0443 -109430.0828 298.4139 -161355.1271 -109076.0556 299.5662 144.6448 175.9684 762162.6394 -7.3957 -7.2097 PRESSURE: 4593800 162.956 208.188 -67.093 208.187 275.722 -46.5559 -67.0932 -46.5567 -7.81403 GPRESSURE: 4593800 197.262 152.928 -68.0348 120.206 243.794 -63.1034 46.8873 -39.5368 53.1953 PRESSAVG: 4593800 -10.7928 43.5945 14.8862 43.5944 14.0971 -31.6898 14.8863 -31.6897 -11.4399 GPRESSAVG: 4593800 -11.7968 46.4801 12.0294 41.4108 14.5277 -29.8104 15.5818 -31.1311 -10.6482 TIMING: 4593800 CPU: 14829.6, 0.00313655/step Wall: 14829.6, 0.00313655/step, 0.353907 hours remaining, 236.171875 MB of memory in use. ENERGY: 4593800 4011.8472 20539.8043 14557.6689 255.7384 -203472.0828 2631.7120 0.0000 0.0000 52095.1415 -109380.1705 299.3915 -161475.3120 -109016.6362 298.9011 143.6213 164.7506 762122.4666 -2.7119 -2.6391 PRESSURE: 4594000 -45.2334 -82.2333 -27.5663 -82.233 3.6721 -73.0339 -27.5662 -73.0344 130.394 GPRESSURE: 4594000 34.6956 -114.516 -77.1384 -54.328 -9.95601 -62.6039 97.2906 -148.804 152.374 PRESSAVG: 4594000 17.8279 4.18935 57.245 4.18921 -3.01847 -50.8392 57.245 -50.8392 -22.0073 GPRESSAVG: 4594000 17.0965 3.29794 58.7456 6.30012 -2.73614 -51.4012 56.1069 -50.2319 -21.7837 TIMING: 4594000 CPU: 14830.2, 0.00314674/step Wall: 14830.2, 0.00314674/step, 0.354882 hours remaining, 236.171875 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: 4594000 3972.5847 20686.1418 14561.8708 234.1336 -203221.5566 2442.3797 0.0000 0.0000 52096.7317 -109227.7143 299.4006 -161324.4460 -108859.0526 300.3184 29.6108 59.0379 761075.9142 -2.3993 -2.4745 PRESSURE: 4594200 -236.459 54.1836 84.9424 54.1825 175.8 -98.8954 84.9423 -98.8952 281.455 GPRESSURE: 4594200 -62.5734 93.3178 135.611 88.6385 121.582 -115.316 5.34692 -51.3398 237.844 PRESSAVG: 4594200 15.2084 10.7061 -8.54959 10.7061 -26.3879 -17.9798 -8.54956 -17.9798 0.701994 GPRESSAVG: 4594200 17.5401 11.6612 -8.89541 10.7127 -27.8027 -18.9169 -8.85599 -17.1275 0.0779032 TIMING: 4594200 CPU: 14830.9, 0.00315217/step Wall: 14830.9, 0.00315217/step, 0.355319 hours remaining, 236.171875 MB of memory in use. ENERGY: 4594200 3991.4976 20415.5105 14553.0887 250.5743 -203555.0419 2579.9948 0.0000 0.0000 52451.3259 -109313.0501 301.4385 -161764.3760 -108951.7677 300.0824 73.5986 98.9511 761700.7700 -3.4925 -3.3949 PRESSURE: 4594400 -131.963 60.1427 -55.9193 60.1415 -225.766 -115.697 -55.9195 -115.695 -419.087 GPRESSURE: 4594400 -220.239 -30.0122 -64.9744 6.47674 -121.998 -108.033 114.661 -90.2836 -337.249 PRESSAVG: 4594400 -7.33789 -0.363824 -3.5941 -0.363793 -21.476 -32.5638 -3.59418 -32.5637 21.6108 GPRESSAVG: 4594400 -7.75753 -2.77923 -4.56397 -0.4726 -20.3766 -32.5231 -1.0839 -32.9356 21.147 TIMING: 4594400 CPU: 14831.5, 0.00313335/step Wall: 14831.5, 0.00313335/step, 0.353025 hours remaining, 236.171875 MB of memory in use. ENERGY: 4594400 4078.0652 20416.1548 14466.8372 223.5313 -203415.5535 2652.7456 0.0000 0.0000 52159.9046 -109418.3148 299.7637 -161578.2195 -109055.0913 299.6503 -258.9386 -226.4951 763913.4626 -2.4010 -2.3290 PRESSURE: 4594600 38.1414 0.519146 64.2239 0.520221 -199.518 -35.1188 64.2239 -35.1185 -179.096 GPRESSURE: 4594600 68.0755 -17.9446 27.927 -51.2112 -136.749 -86.3165 71.2463 -141.227 -171.783 PRESSAVG: 4594600 -11.9576 -35.5613 4.79347 -35.5612 43.7573 -4.07437 4.79343 -4.07437 10.6891 GPRESSAVG: 4594600 -11.6952 -33.9938 3.78324 -36.6687 44.5549 -3.08389 5.76721 -4.16605 9.82391 TIMING: 4594600 CPU: 14832.1, 0.00313091/step Wall: 14832.1, 0.00313091/step, 0.352576 hours remaining, 236.171875 MB of memory in use. ENERGY: 4594600 4019.6729 20494.2353 14474.5658 229.2058 -203235.5259 2625.6792 0.0000 0.0000 52002.9616 -109389.2053 298.8617 -161392.1669 -109025.4033 299.4157 -113.4910 -80.1521 760860.6968 14.1629 14.2279 PRESSURE: 4594800 -154.689 89.1909 -75.8171 89.1911 250.81 59.3713 -75.8175 59.37 -9.25542 GPRESSURE: 4594800 -45.0489 113.234 -115.787 28.8946 282.41 108.7 25.405 43.4181 -56.0132 PRESSAVG: 4594800 -37.0543 -49.8461 40.8158 -49.8461 4.77661 -6.42087 40.8158 -6.4209 28.0426 GPRESSAVG: 4594800 -37.9539 -50.3019 41.3682 -47.1035 3.93004 -6.34389 39.1995 -7.81201 29.6243 TIMING: 4594800 CPU: 14832.7, 0.00313046/step Wall: 14832.7, 0.00313046/step, 0.35235 hours remaining, 236.171875 MB of memory in use. ENERGY: 4594800 4025.1703 20431.1945 14451.6217 248.2666 -203190.5959 2640.4526 0.0000 0.0000 52069.8970 -109323.9932 299.2464 -161393.8901 -108962.3168 299.6202 28.9551 60.4493 761553.5211 -1.4117 -1.4665 PRESSURE: 4595000 -96.2719 -62.4931 -36.2276 -62.4934 -583.939 -185.109 -36.2284 -185.11 -72.0031 GPRESSURE: 4595000 -34.2722 -49.676 -8.91591 48.1929 -587.848 -182.516 -28.2292 -70.2309 -25.7836 PRESSAVG: 4595000 8.40938 -38.0758 22.1732 -38.0758 -14.5705 21.4286 22.1732 21.4286 7.73372 GPRESSAVG: 4595000 9.50091 -38.0506 23.1159 -40.1866 -16.1741 20.5788 22.0349 25.219 8.02433 TIMING: 4595000 CPU: 14833.4, 0.0031517/step Wall: 14833.4, 0.0031517/step, 0.354567 hours remaining, 236.171875 MB of memory in use. ENERGY: 4595000 3972.5112 20577.1531 14498.5015 248.0986 -203272.1036 2341.7808 0.0000 0.0000 52290.5865 -109343.4720 300.5147 -161634.0585 -108974.1100 299.5274 -250.7380 -215.9681 761437.6743 0.5242 0.4504 PRESSURE: 4595200 75.4372 -26.3917 65.0435 -26.3915 108.915 37.0645 65.0434 37.0644 127.464 GPRESSURE: 4595200 161.499 105.593 -9.41589 -2.4191 84.0189 21.1302 34.098 62.1668 171.165 PRESSAVG: 4595200 5.55166 -30.1663 -36.6218 -30.1663 18.2437 9.09466 -36.6218 9.09462 2.57923 GPRESSAVG: 4595200 5.45703 -27.7331 -35.5282 -29.9925 18.9501 10.2386 -37.0329 6.10755 2.28089 TIMING: 4595200 CPU: 14834, 0.0031528/step Wall: 14834, 0.0031528/step, 0.354515 hours remaining, 236.171875 MB of memory in use. ENERGY: 4595200 4004.2680 20579.6442 14491.7692 225.6249 -203297.8900 2506.2180 0.0000 0.0000 51879.2098 -109611.1559 298.1505 -161490.3657 -109236.4946 299.5431 103.9389 138.8943 759754.6379 8.7915 8.8960 PRESSURE: 4595400 -200.282 35.7659 -42.3231 35.7659 211.424 73.8233 -42.3223 73.8234 -155.502 GPRESSURE: 4595400 -83.7781 -72.0733 -37.1813 5.82545 133.768 51.2669 -112.002 53.4127 -136.998 PRESSAVG: 4595400 28.7273 -53.1515 -12.7844 -53.1516 -20.7003 78.3774 -12.7844 78.3774 -2.14161 GPRESSAVG: 4595400 30.124 -55.3449 -14.6692 -53.0329 -21.4211 76.7365 -12.9457 78.2535 -2.71623 TIMING: 4595400 CPU: 14834.6, 0.00313839/step Wall: 14834.6, 0.00313839/step, 0.352721 hours remaining, 236.171875 MB of memory in use. ENERGY: 4595400 4081.5620 20443.5453 14457.2184 229.5879 -203323.2342 2451.0060 0.0000 0.0000 52118.1164 -109542.1983 299.5235 -161660.3146 -109184.3606 298.9482 -48.1198 -29.0030 759737.3840 1.9618 1.9956 PRESSURE: 4595600 79.3673 -83.9406 86.4633 -83.9412 -91.5991 -380.948 86.4644 -380.948 157.433 GPRESSURE: 4595600 81.1477 -123.336 111.595 -138.944 -61.4815 -432.914 148.206 -211.92 211.209 PRESSAVG: 4595600 40.8218 -32.4257 -24.5822 -32.4258 -16.6004 -21.8819 -24.5822 -21.8819 10.9231 GPRESSAVG: 4595600 40.2486 -31.7897 -24.5278 -31.0362 -17.0554 -19.3922 -24.5622 -20.5746 11.9893 TIMING: 4595600 CPU: 14835.3, 0.00315674/step Wall: 14835.3, 0.00315674/step, 0.354607 hours remaining, 236.171875 MB of memory in use. ENERGY: 4595600 3972.2664 20576.5430 14506.0199 238.4561 -203236.3260 2424.8109 0.0000 0.0000 51886.1646 -109632.0650 298.1905 -161518.2296 -109275.8182 299.0164 48.4006 76.9584 759390.8844 11.7148 11.7275 PRESSURE: 4595800 -105.107 35.5251 319.412 35.525 -193.151 177.962 319.411 177.963 -78.8604 GPRESSURE: 4595800 -14.7801 96.3226 245.174 10.6004 -163.236 164.765 284.304 140.076 -99.3049 PRESSAVG: 4595800 43.0665 -79.9174 -3.76069 -79.9173 -58.6548 -36.3177 -3.76075 -36.3177 11.1326 GPRESSAVG: 4595800 42.7458 -77.5478 -3.16032 -82.8117 -56.96 -39.1041 -3.52049 -37.4736 10.172 TIMING: 4595800 CPU: 14835.9, 0.00316017/step Wall: 14835.9, 0.00316017/step, 0.354817 hours remaining, 236.171875 MB of memory in use. ENERGY: 4595800 3929.2315 20603.5276 14614.7929 249.5911 -203746.4425 2611.6408 0.0000 0.0000 51890.3538 -109847.3048 298.2146 -161737.6586 -109495.7908 298.8409 -125.7061 -92.4404 760111.7047 -1.4852 -1.3474 PRESSURE: 4596000 -36.1882 -142.795 -120.196 -142.795 116.785 193.508 -120.196 193.508 133.192 GPRESSURE: 4596000 -60.414 -134.049 -4.08844 -170.443 213.933 254.835 -235.342 93.6505 151.19 PRESSAVG: 4596000 55.2695 -75.0446 19.4317 -75.0445 -38.1633 -2.88706 19.4317 -2.88699 -28.9818 GPRESSAVG: 4596000 54.9732 -76.8315 18.2378 -73.8242 -37.9958 0.022045 20.7253 -3.52645 -29.0625 TIMING: 4596000 CPU: 14836.5, 0.00315525/step Wall: 14836.5, 0.00315525/step, 0.354089 hours remaining, 236.171875 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: 4596000 3992.9523 20561.3382 14497.3976 241.3951 -203542.3976 2394.4791 0.0000 0.0000 51842.0964 -110012.7391 297.9372 -161854.8354 -109647.7576 298.4432 71.2631 101.5698 759174.1590 -3.9586 -4.0284 PRESSURE: 4596200 -99.6026 129.453 -183.489 129.452 -161.826 -76.295 -183.49 -76.2949 80.361 GPRESSURE: 4596200 -80.3038 162.408 -149.736 196.851 -92.6663 34.4278 -248.385 -58.5768 85.2213 PRESSAVG: 4596200 54.9536 -6.40612 13.6867 -6.40613 -38.6708 -14.9821 13.6866 -14.9821 4.34439 GPRESSAVG: 4596200 55.8256 -6.52547 13.7521 -5.73848 -40.2095 -16.7968 11.8475 -14.8953 5.35327 TIMING: 4596200 CPU: 14837.2, 0.00317147/step Wall: 14837.2, 0.00317147/step, 0.355734 hours remaining, 236.171875 MB of memory in use. ENERGY: 4596200 3925.2692 20683.2109 14481.6654 236.3780 -203770.8499 2443.9402 0.0000 0.0000 52104.4759 -109895.9105 299.4451 -162000.3863 -109545.6861 298.4670 -60.3559 -29.2496 759880.9764 6.8757 6.9898 LDB: ============= START OF LOAD BALANCING ============== 14849.6 LDB: ============== END OF LOAD BALANCING =============== 14849.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14849.6 LDB: ============= START OF LOAD BALANCING ============== 14849.9 LDB: Largest compute 7025 load 0.035944 is 18.4% of average load 0.195607 LDB: Average compute 0.004403 is 2.3% of average load 0.195607 LDB: TIME 14849.9 LOAD: AVG 0.195607 MAX 0.21431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.094 MB LDB: TIME 14849.9 LOAD: AVG 0.195607 MAX 0.21431 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: TIME 14849.9 LOAD: AVG 0.195607 MAX 0.21431 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: ============== END OF LOAD BALANCING =============== 14849.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14849.9 PRESSURE: 4596400 -58.6415 -60.3341 -160.713 -60.3336 -214.389 -46.638 -160.714 -46.6371 -201.707 GPRESSURE: 4596400 -56.4816 -66.7337 -72.6839 -39.5425 -52.4946 -101.819 -82.7661 -63.4655 -257.196 PRESSAVG: 4596400 51.9261 -41.8274 -11.6205 -41.8275 -59.5491 37.0389 -11.6205 37.0389 0.0558964 GPRESSAVG: 4596400 51.258 -42.656 -8.56093 -42.0029 -57.8124 38.7509 -11.8688 36.7013 -0.626691 TIMING: 4596400 CPU: 14837.8, 0.00321009/step Wall: 14837.8, 0.00321009/step, 0.359887 hours remaining, 234.804688 MB of memory in use. ENERGY: 4596400 3976.2739 20496.1154 14536.1203 257.1581 -203252.3661 2090.2726 0.0000 0.0000 51968.2803 -109928.1454 298.6624 -161896.4257 -109549.4857 298.8062 -158.2461 -122.0573 758947.7648 -2.5224 -2.3937 PRESSURE: 4596600 298.207 -361.607 165.683 -361.607 67.765 -5.26462 165.683 -5.26435 -7.7678 GPRESSURE: 4596600 225.788 -301.509 218.77 -398.538 99.3283 34.526 39.127 -59.0195 115.281 PRESSAVG: 4596600 18.1306 -76.6929 51.663 -76.6929 -13.8863 -7.21921 51.663 -7.21919 -25.5661 GPRESSAVG: 4596600 18.4323 -75.2847 47.9991 -77.2322 -14.1064 -9.31214 54.2219 -3.74418 -25.5594 TIMING: 4596600 CPU: 14838.4, 0.00314562/step Wall: 14838.4, 0.00314562/step, 0.352484 hours remaining, 234.886719 MB of memory in use. ENERGY: 4596600 4063.9438 20748.4378 14494.6987 255.2173 -203821.9475 2595.4814 0.0000 0.0000 51906.1381 -109758.0305 298.3053 -161664.1686 -109395.3920 299.0534 119.4012 146.7991 759848.6549 -7.1073 -7.0778 PRESSURE: 4596800 25.0692 -106.396 12.2285 -106.397 384.322 176.951 12.2286 176.952 -156.498 GPRESSURE: 4596800 66.8812 -118.099 112.483 -114.252 375.678 184.74 -88.1388 86.7894 -104.398 PRESSAVG: 4596800 -25.5099 -73.2211 -17.4652 -73.2211 1.13808 -12.522 -17.4652 -12.5221 0.0820669 GPRESSAVG: 4596800 -24.6284 -72.1259 -16.1607 -75.2716 0.544122 -11.2231 -18.3659 -15.7877 -0.157326 TIMING: 4596800 CPU: 14839.1, 0.00311999/step Wall: 14839.1, 0.00311999/step, 0.349439 hours remaining, 234.886719 MB of memory in use. ENERGY: 4596800 4015.8413 20665.1824 14420.1653 242.5662 -203487.5029 2472.5918 0.0000 0.0000 51680.0137 -109991.1421 297.0057 -161671.1558 -109632.6716 298.6758 84.2975 112.7207 761360.0096 -8.0966 -8.0805 PRESSURE: 4597000 234.415 -191.232 285.752 -191.232 -103.284 40.1434 285.752 40.1425 -255.356 GPRESSURE: 4597000 263.824 -69.27 222.896 -192.851 -72.764 11.6991 237.719 90.4676 -256.69 PRESSAVG: 4597000 18.361 10.7269 1.59431 10.7269 -16.8049 -2.27209 1.5943 -2.27215 -41.5781 GPRESSAVG: 4597000 17.3164 10.8693 -0.0633624 12.7271 -16.5538 -3.4444 2.75661 -1.95468 -41.6338 TIMING: 4597000 CPU: 14839.7, 0.00312826/step Wall: 14839.7, 0.00312826/step, 0.350191 hours remaining, 234.886719 MB of memory in use. ENERGY: 4597000 3987.3228 20442.3919 14420.9784 253.4536 -203334.1566 2423.5557 0.0000 0.0000 51906.6475 -109899.8067 298.3082 -161806.4542 -109542.0868 298.5287 -41.4083 -21.8767 759979.4626 -13.3407 -13.6237 PRESSURE: 4597200 -100.979 62.6558 -142.421 62.6563 214.128 -58.2274 -142.422 -58.2274 -29.0819 GPRESSURE: 4597200 -82.0201 3.27309 -175.103 139.505 257.467 -111.124 -72.7342 -65.2378 -9.23806 PRESSAVG: 4597200 58.7373 -3.91801 5.82046 -3.91796 -58.4859 7.17013 5.82055 7.17019 -4.03635 GPRESSAVG: 4597200 60.6324 -5.45299 7.92574 -2.3975 -59.9077 8.27939 3.74089 8.1468 -4.70144 TIMING: 4597200 CPU: 14840.3, 0.00313565/step Wall: 14840.3, 0.00313565/step, 0.350844 hours remaining, 234.886719 MB of memory in use. ENERGY: 4597200 4020.9074 20491.4810 14501.3307 279.2852 -203600.5207 2436.8765 0.0000 0.0000 51930.1209 -109940.5189 298.4431 -161870.6398 -109581.1338 298.7436 28.0224 55.4028 759599.0364 -1.2616 -1.3256 PRESSURE: 4597400 132.002 -218.939 -149.558 -218.939 -263.257 4.63018 -149.559 4.63111 -131.46 GPRESSURE: 4597400 87.6739 -143.598 -72.7149 -259.272 -196.479 -105.702 -270.632 88.2514 -49.3634 PRESSAVG: 4597400 28.8863 -15.7107 -37.461 -15.7107 -17.7012 -20.0172 -37.461 -20.0172 11.208 GPRESSAVG: 4597400 27.705 -15.315 -38.4714 -15.0956 -16.1301 -21.5038 -35.1944 -19.1991 10.9484 TIMING: 4597400 CPU: 14840.9, 0.00313052/step Wall: 14840.9, 0.00313052/step, 0.350097 hours remaining, 234.886719 MB of memory in use. ENERGY: 4597400 3973.5916 20598.1323 14467.0517 248.2347 -203389.2404 2340.9324 0.0000 0.0000 51907.1301 -109854.1675 298.3110 -161761.2976 -109498.6741 298.7275 -87.5714 -52.7228 759270.0597 7.4644 7.5078 PRESSURE: 4597600 -170.084 -34.494 -67.7524 -34.4939 -415.309 63.1844 -67.753 63.1854 -159.983 GPRESSURE: 4597600 -169.669 -23.0265 43.3412 -176.311 -354.136 105.199 -130.376 37.4596 -150.077 PRESSAVG: 4597600 23.9966 -67.838 15.4909 -67.838 -24.7123 28.8967 15.4909 28.8968 2.6232 GPRESSAVG: 4597600 24.12 -66.3862 16.9069 -68.5412 -25.5783 29.3419 13.1845 28.5557 3.09783 TIMING: 4597600 CPU: 14841.6, 0.00313937/step Wall: 14841.6, 0.00313937/step, 0.350912 hours remaining, 234.886719 MB of memory in use. ENERGY: 4597600 3955.9924 20463.7700 14454.0141 222.4790 -203673.2310 2619.3161 0.0000 0.0000 52037.2500 -109920.4093 299.0588 -161957.6593 -109556.2395 298.1789 -248.4585 -224.6273 761046.8920 0.6358 0.5465 PRESSURE: 4597800 227.526 21.6679 166.095 21.6667 -145.423 114.424 166.096 114.424 -342.043 GPRESSURE: 4597800 188.594 10.212 161.49 -31.5656 -139.183 86.5062 117.79 36.3777 -225.245 PRESSAVG: 4597800 -2.79787 -22.1831 -20.5698 -22.1832 33.312 9.32093 -20.5697 9.32101 22.6692 GPRESSAVG: 4597800 -2.61581 -23.8117 -21.0551 -21.1942 32.8151 9.82461 -19.8245 7.45599 22.751 TIMING: 4597800 CPU: 14842.2, 0.00314152/step Wall: 14842.2, 0.00314152/step, 0.350978 hours remaining, 234.886719 MB of memory in use. ENERGY: 4597800 4032.1351 20367.1554 14600.6256 218.2299 -203730.1601 2599.2372 0.0000 0.0000 51936.5020 -109976.2747 298.4798 -161912.7767 -109617.4021 298.3691 -86.6467 -58.6112 759771.9558 17.7278 17.6501 PRESSURE: 4598000 -129.713 131.388 -93.3466 131.387 -20.6316 -47.7593 -93.3473 -47.7594 -121.485 GPRESSURE: 4598000 -70.366 28.6602 -108.39 9.28233 25.9205 -37.9436 -14.5435 -16.7106 -137.98 PRESSAVG: 4598000 56.7164 -41.6915 1.09335 -41.6915 -34.1193 -3.99398 1.09335 -3.99402 -3.46847 GPRESSAVG: 4598000 56.0912 -41.6408 1.39658 -43.5291 -33.8226 -3.55843 1.29977 -3.41004 -3.40777 TIMING: 4598000 CPU: 14842.8, 0.00312531/step Wall: 14842.8, 0.00312531/step, 0.348993 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4598000 3969.5003 20281.9632 14486.0581 240.8268 -202843.0394 2018.1177 0.0000 0.0000 51700.0642 -110146.5090 297.1210 -161846.5731 -109780.3860 298.3517 -90.6098 -60.8084 760963.1921 6.3762 6.2869 PRESSURE: 4598200 -224.176 -74.154 52.9007 -74.1539 -312.313 85.0867 52.9001 85.0864 -85.6255 GPRESSURE: 4598200 -193.108 -35.1015 58.5001 -152.411 -201.782 58.8786 53.6777 178.589 -129.016 PRESSAVG: 4598200 70.6035 -44.5347 5.97074 -44.5348 -54.7087 27.5311 5.97081 27.5311 14.2108 GPRESSAVG: 4598200 70.5412 -44.1415 6.86783 -44.6957 -53.9666 26.6621 7.97088 29.0947 13.2719 TIMING: 4598200 CPU: 14843.4, 0.00311934/step Wall: 14843.4, 0.00311934/step, 0.348153 hours remaining, 234.886719 MB of memory in use. ENERGY: 4598200 4006.5550 20299.2360 14491.5977 233.5936 -203346.4951 2409.9213 0.0000 0.0000 52144.2617 -109761.3297 299.6738 -161905.5914 -109392.7792 298.5415 -207.3715 -174.6353 761246.8881 10.0352 9.9488 PRESSURE: 4598400 -162.129 22.6599 171.478 22.6596 -196.42 65.7373 171.478 65.7374 76.9227 GPRESSURE: 4598400 -216.342 72.8992 229.976 -27.2563 -110.726 -20.5129 82.1954 114.715 133.241 PRESSAVG: 4598400 -30.6798 -53.1705 -8.55321 -53.1705 -18.7491 24.6312 -8.55327 24.6311 -24.2773 GPRESSAVG: 4598400 -31.0596 -53.5849 -9.58892 -51.7174 -18.8781 24.7754 -9.78383 22.2746 -24.2399 TIMING: 4598400 CPU: 14844.1, 0.00312157/step Wall: 14844.1, 0.00312157/step, 0.348228 hours remaining, 234.886719 MB of memory in use. ENERGY: 4598400 3993.1333 20547.3542 14438.1351 246.8116 -203240.7968 2288.9542 0.0000 0.0000 51944.1325 -109782.2760 298.5236 -161726.4085 -109422.9314 298.6698 -93.8754 -64.6089 761287.3656 -24.5687 -24.7259 PRESSURE: 4598600 0.701989 -126.87 35.3833 -126.87 -45.183 0.639716 35.3835 0.639764 46.4741 GPRESSURE: 4598600 -36.6305 -124.842 32.4175 -168.849 34.0168 -8.62717 -42.6531 36.352 86.7274 PRESSAVG: 4598600 36.4114 -20.4287 12.8203 -20.4288 -49.7385 -6.0878 12.8203 -6.08781 -11.1063 GPRESSAVG: 4598600 35.9286 -19.9763 11.5998 -21.2748 -49.0254 -6.59335 14.2148 -5.35682 -11.4475 TIMING: 4598600 CPU: 14844.7, 0.00313322/step Wall: 14844.7, 0.00313322/step, 0.349354 hours remaining, 234.886719 MB of memory in use. ENERGY: 4598600 3913.6482 20524.8516 14518.9375 246.9047 -203428.4421 2422.3003 0.0000 0.0000 52094.1269 -109707.6729 299.3857 -161801.7998 -109347.1158 298.8104 0.6643 28.0379 760289.2515 -8.1445 -8.1815 PRESSURE: 4598800 -169.606 8.22926 31.7027 8.22913 -152.87 46.8161 31.7029 46.8165 -113.81 GPRESSURE: 4598800 -106.355 95.7453 -57.6996 26.2341 -166.732 -46.7639 7.87818 0.829703 -65.1261 PRESSAVG: 4598800 -1.43723 -12.4862 5.53121 -12.4863 -11.7116 15.5104 5.53118 15.5104 11.8039 GPRESSAVG: 4598800 -0.225344 -10.1831 6.17234 -12.37 -13.2949 15.912 2.31083 13.2734 11.9874 TIMING: 4598800 CPU: 14845.3, 0.00312812/step Wall: 14845.3, 0.00312812/step, 0.348611 hours remaining, 234.886719 MB of memory in use. ENERGY: 4598800 4072.6256 20557.2361 14511.6803 238.5176 -203596.7260 2603.0258 0.0000 0.0000 51874.3658 -109739.2748 298.1227 -161613.6406 -109382.5704 298.6203 -145.4288 -112.7377 759907.7180 -0.4483 -0.5110 PRESSURE: 4599000 -348.784 95.4734 13.401 95.4736 50.6453 -28.7782 13.4004 -28.7778 -206.583 GPRESSURE: 4599000 -195.199 120.568 68.9406 41.9423 40.2496 31.1153 -26.1006 98.5054 -258.894 PRESSAVG: 4599000 22.0338 13.5585 14.436 13.5585 -26.4282 -28.3243 14.436 -28.3244 -0.160673 GPRESSAVG: 4599000 21.0319 11.1058 14.782 13.7132 -25.7898 -27.8795 16.429 -25.4808 -0.358877 TIMING: 4599000 CPU: 14845.9, 0.00311006/step Wall: 14845.9, 0.00311006/step, 0.346426 hours remaining, 234.886719 MB of memory in use. ENERGY: 4599000 3929.2516 20451.6726 14476.7468 237.1278 -203888.2781 2798.7273 0.0000 0.0000 52165.3782 -109829.3737 299.7951 -161994.7519 -109456.0693 298.8256 -168.2405 -137.9478 760488.4700 -1.5184 -1.7056 PRESSURE: 4599200 -124.144 85.6147 -301.912 85.6153 -422.54 -2.50493 -301.913 -2.50391 85.9766 GPRESSURE: 4599200 -129.618 130.375 -359.655 1.86473 -344.098 -20.0753 -190.211 -197.208 91.5113 PRESSAVG: 4599200 38.8734 -11.3532 -43.1526 -11.3531 -25.7434 -20.1854 -43.1526 -20.1854 3.81891 GPRESSAVG: 4599200 40.056 -11.8003 -43.3374 -12.0642 -26.9353 -20.8444 -43.4656 -21.815 4.03891 TIMING: 4599200 CPU: 14846.6, 0.00313112/step Wall: 14846.6, 0.00313112/step, 0.348599 hours remaining, 234.886719 MB of memory in use. ENERGY: 4599200 3927.8124 20552.3117 14445.5514 237.7933 -203383.3857 2508.6224 0.0000 0.0000 51829.2745 -109882.0200 297.8636 -161711.2945 -109528.1025 298.2839 -153.5693 -127.4015 761152.9454 5.6497 5.7199 PRESSURE: 4599400 -49.8472 -48.3872 62.8776 -48.3877 -71.6784 -233.85 62.8769 -233.85 170.088 GPRESSURE: 4599400 -28.8297 -6.34138 7.00853 -58.9796 35.5785 -224.579 -0.941403 -69.0808 143.369 PRESSAVG: 4599400 68.845 2.3043 -35.0653 2.30428 -78.6407 -26.8315 -35.0653 -26.8315 -23.54 GPRESSAVG: 4599400 68.1997 2.21216 -35.7772 4.18073 -77.4311 -25.6817 -33.8097 -26.5846 -24.5943 TIMING: 4599400 CPU: 14847.2, 0.00313809/step Wall: 14847.2, 0.00313809/step, 0.3492 hours remaining, 234.886719 MB of memory in use. ENERGY: 4599400 3960.3080 20372.8226 14500.7903 257.1395 -203752.6913 2898.8299 0.0000 0.0000 52086.3565 -109676.4445 299.3410 -161762.8010 -109301.6836 298.8498 16.1875 50.0394 762165.3545 -11.1119 -11.2752 PRESSURE: 4599600 161.066 -205.795 117.195 -205.796 -440.985 104.288 117.195 104.288 -204.241 GPRESSURE: 4599600 190.437 -189.202 111.054 -193.425 -377.427 176.767 103.524 3.81143 -202.169 PRESSAVG: 4599600 75.6812 -47.8474 -11.6604 -47.8475 -97.4964 -17.9784 -11.6604 -17.9783 -3.65841 GPRESSAVG: 4599600 75.1385 -47.9842 -11.6777 -50.4433 -97.569 -16.1572 -13.1676 -18.3941 -3.18842 TIMING: 4599600 CPU: 14847.8, 0.00312268/step Wall: 14847.8, 0.00312268/step, 0.347312 hours remaining, 234.886719 MB of memory in use. ENERGY: 4599600 4045.3329 20296.9511 14475.7719 255.0450 -203054.5875 2364.0786 0.0000 0.0000 51889.9049 -109727.5031 298.2120 -161617.4080 -109351.3750 299.1429 -161.3871 -129.7195 762115.5232 -8.4912 -8.5396 PRESSURE: 4599800 154.87 -121.078 -33.9561 -121.077 -228.267 -135.082 -33.9557 -135.082 -273.884 GPRESSURE: 4599800 99.6337 -186.632 -62.4076 -177.559 -153.469 -47.0946 -106.788 -82.2362 -196.36 PRESSAVG: 4599800 4.28319 -60.6285 -42.8371 -60.6284 -10.6764 89.204 -42.8371 89.204 6.36168 GPRESSAVG: 4599800 4.80286 -59.8871 -40.7203 -60.0486 -10.7445 87.8797 -43.2522 89.1377 6.12484 TIMING: 4599800 CPU: 14848.4, 0.00313234/step Wall: 14848.4, 0.00313234/step, 0.348211 hours remaining, 234.886719 MB of memory in use. ENERGY: 4599800 3951.9326 20344.5531 14489.5346 249.5336 -203350.0837 2760.5079 0.0000 0.0000 51749.8126 -109804.2093 297.4069 -161554.0219 -109440.9299 298.2032 -115.7603 -83.3984 762134.3785 -0.0105 0.0611 WRITING COORDINATES TO DCD FILE MD.4.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: 4600000 -40.8104 -17.2153 -295.955 -17.215 122.813 186.273 -295.956 186.273 248.424 GPRESSURE: 4600000 -82.9806 -90.3284 -299.092 -134.035 187.954 161.339 -214.678 213.441 301.928 PRESSAVG: 4600000 19.4813 -13.119 -41.6536 -13.119 -50.1958 16.1021 -41.6536 16.1021 13.6158 GPRESSAVG: 4600000 18.2712 -12.3501 -42.9247 -14.0559 -49.8259 14.8035 -41.5149 17.2353 14.8292 TIMING: 4600000 CPU: 14849.1, 0.00324654/step Wall: 14849.1, 0.00324654/step, 0.360726 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4600000 3977.7887 20368.3158 14437.3189 245.6701 -202984.0582 2454.4808 0.0000 0.0000 51778.2645 -109722.2193 297.5704 -161500.4838 -109367.5613 298.1895 110.1422 135.6340 762221.1956 -5.6995 -5.5752 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 PRESSURE: 4600200 420.079 -189.294 -154.476 -189.295 288.254 -51.7933 -154.477 -51.7935 330.637 GPRESSURE: 4600200 508.645 -170.748 -145.082 -230.679 355.675 14.9795 -112.672 -63.1231 279.441 PRESSAVG: 4600200 3.97102 -43.7028 -42.8702 -43.7028 13.5843 -20.7632 -42.8702 -20.7632 7.35075 GPRESSAVG: 4600200 5.35494 -44.6373 -43.1246 -43.4402 12.5679 -21.4885 -43.5349 -20.2529 7.4733 TIMING: 4600200 CPU: 14849.7, 0.00316794/step Wall: 14849.7, 0.00316794/step, 0.351817 hours remaining, 234.886719 MB of memory in use. ENERGY: 4600200 3932.3836 20403.0159 14452.0130 241.6640 -203989.8978 3115.9038 0.0000 0.0000 52123.6781 -109721.2394 299.5555 -161844.9175 -109360.9218 298.4737 346.3233 381.2535 760319.5614 8.3020 8.4654 LDB: ============= START OF LOAD BALANCING ============== 14862.2 LDB: ============== END OF LOAD BALANCING =============== 14862.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14862.2 LDB: ============= START OF LOAD BALANCING ============== 14862.5 LDB: Largest compute 7025 load 0.032748 is 16.7% of average load 0.195540 LDB: Average compute 0.004397 is 2.2% of average load 0.195540 LDB: TIME 14862.5 LOAD: AVG 0.19554 MAX 0.213216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 14862.5 LOAD: AVG 0.19554 MAX 0.213216 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: TIME 14862.5 LOAD: AVG 0.19554 MAX 0.213216 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: ============== END OF LOAD BALANCING =============== 14862.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14862.5 PRESSURE: 4600400 325.198 342.28 179.421 342.279 28.9577 76.0354 179.421 76.0344 -193.887 GPRESSURE: 4600400 308.043 289.832 244.639 317.883 6.01238 92.9509 112.873 121.402 -68.4633 PRESSAVG: 4600400 31.459 -48.5891 24.5826 -48.5891 4.80582 29.6801 24.5827 29.68 -2.12039 GPRESSAVG: 4600400 32.3533 -48.5287 24.4688 -48.5095 3.40187 31.1147 25.9125 27.2339 -1.43452 TIMING: 4600400 CPU: 14850.4, 0.00319595/step Wall: 14850.4, 0.00319595/step, 0.354751 hours remaining, 237.125000 MB of memory in use. ENERGY: 4600400 3961.8572 20576.6300 14496.9141 235.8525 -203734.8074 2781.7085 0.0000 0.0000 52034.8959 -109646.9491 299.0453 -161681.8450 -109300.2180 298.8587 53.4228 81.8641 760345.9625 11.3815 11.4402 PRESSURE: 4600600 141.461 -139.897 -127.207 -139.898 25.8146 -9.92272 -127.207 -9.9222 -363.236 GPRESSURE: 4600600 105.505 -87.6335 -230.79 -254.907 79.9148 13.5647 -27.7436 114.382 -304.208 PRESSAVG: 4600600 71.97 -49.2475 -15.8824 -49.2475 -83.3135 28.4703 -15.8824 28.4704 9.02319 GPRESSAVG: 4600600 70.5967 -49.3578 -16.4865 -48.9656 -80.9305 28.9711 -15.0722 29.6696 7.76566 TIMING: 4600600 CPU: 14851, 0.00313082/step Wall: 14851, 0.00313082/step, 0.347347 hours remaining, 237.125000 MB of memory in use. ENERGY: 4600600 4013.0758 20417.8239 14554.6062 244.9533 -202877.7665 2123.1106 0.0000 0.0000 51906.9992 -109617.1976 298.3102 -161524.1968 -109249.1126 299.6906 -65.3202 -39.5958 760314.2496 -0.7734 -0.8560 PRESSURE: 4600800 -488.31 91.7722 -346.481 91.7719 -515.611 -49.9105 -346.48 -49.9104 77.8113 GPRESSURE: 4600800 -446.231 77.1125 -235.253 86.3824 -491.031 41.4327 -275.418 -49.3325 90.5164 PRESSAVG: 4600800 -70.7997 -30.5859 -19.423 -30.5859 41.8168 36.071 -19.423 36.0711 -22.3601 GPRESSAVG: 4600800 -70.0984 -30.7136 -17.9772 -29.7744 40.9311 36.5342 -20.4415 36.9677 -21.8967 TIMING: 4600800 CPU: 14851.6, 0.00313236/step Wall: 14851.6, 0.00313236/step, 0.347344 hours remaining, 237.125000 MB of memory in use. ENERGY: 4600800 4073.9341 20606.3558 14409.7672 255.5053 -203379.9103 2316.6385 0.0000 0.0000 52053.5451 -109664.1644 299.1524 -161717.7095 -109296.9959 299.3404 -308.7031 -282.2484 760462.8256 -17.1143 -17.0213 PRESSURE: 4601000 -9.76272 -41.1564 -54.1371 -41.1563 9.70633 -23.764 -54.1378 -23.7641 126.351 GPRESSURE: 4601000 5.50884 -55.0904 -62.46 79.308 29.5212 9.76552 42.6554 14.5324 178.061 PRESSAVG: 4601000 -20.6916 -54.2912 -44.2718 -54.2912 -13.5908 32.5685 -44.2718 32.5684 -32.615 GPRESSAVG: 4601000 -21.0505 -53.4471 -45.253 -54.3449 -12.8383 30.9434 -41.6617 33.4165 -33.3549 TIMING: 4601000 CPU: 14852.2, 0.00311259/step Wall: 14852.2, 0.00311259/step, 0.344978 hours remaining, 237.125000 MB of memory in use. ENERGY: 4601000 3939.4016 20629.4540 14492.3087 251.5260 -203355.0878 2372.4213 0.0000 0.0000 51897.7640 -109772.2122 298.2572 -161669.9762 -109414.9878 299.1902 42.0980 71.0304 759637.8801 -22.2991 -22.4146 PRESSURE: 4601200 133.328 -54.9739 -222.136 -54.9747 -220.015 34.1334 -222.135 34.1338 7.59479 GPRESSURE: 4601200 153.17 12.8589 -249.036 -10.6934 -98.2845 -4.41756 -251.511 -54.9061 -24.5317 PRESSAVG: 4601200 22.135 -47.7239 -20.5585 -47.724 -43.1131 -68.0857 -20.5586 -68.0857 9.10838 GPRESSAVG: 4601200 22.762 -48.8497 -20.5428 -48.2614 -43.5318 -66.2028 -22.5209 -71.5539 10.1057 TIMING: 4601200 CPU: 14852.9, 0.00310672/step Wall: 14852.9, 0.00310672/step, 0.344156 hours remaining, 237.125000 MB of memory in use. ENERGY: 4601200 3995.9339 20242.9950 14490.4546 259.7651 -203629.2523 2684.4056 0.0000 0.0000 52151.2424 -109804.4557 299.7139 -161955.6981 -109436.6984 298.7589 -26.3644 10.1178 759485.9329 -3.9566 -3.5547 PRESSURE: 4601400 -210.414 -77.3873 -53.5399 -77.3881 -262.625 26.675 -53.5393 26.6765 -470.103 GPRESSURE: 4601400 -184.792 -9.81332 -89.2356 11.0714 -222.771 66.682 -47.411 54.9611 -447.233 PRESSAVG: 4601400 9.14165 -80.0954 21.971 -80.0954 -8.19023 33.0678 21.971 33.0677 5.64673 GPRESSAVG: 4601400 9.56136 -80.3524 22.5786 -79.0339 -7.22568 30.8437 22.91 35.4066 4.39476 TIMING: 4601400 CPU: 14853.5, 0.00311521/step Wall: 14853.5, 0.00311521/step, 0.344924 hours remaining, 237.125000 MB of memory in use. ENERGY: 4601400 3982.4894 20336.6316 14493.7381 248.9020 -203068.0174 2205.1388 0.0000 0.0000 51850.8031 -109950.3143 297.9873 -161801.1175 -109588.0699 298.3757 -314.3808 -284.9319 761985.4492 2.1994 2.2435 PRESSURE: 4601600 -504.916 83.097 -311.058 83.097 14.0564 -16.6817 -311.058 -16.6825 -152.089 GPRESSURE: 4601600 -492.882 4.59882 -219.961 -45.7527 25.4654 16.1303 -185.569 119.74 -91.0635 PRESSAVG: 4601600 -46.1187 -31.0741 -29.7907 -31.0741 53.8019 36.0558 -29.7906 36.0559 -2.71144 GPRESSAVG: 4601600 -45.8451 -29.4391 -29.1105 -31.6109 52.4928 36.6637 -31.431 36.7027 -1.60236 TIMING: 4601600 CPU: 14854.1, 0.00312341/step Wall: 14854.1, 0.0031234/step, 0.345657 hours remaining, 237.125000 MB of memory in use. ENERGY: 4601600 4012.7790 20570.5769 14478.2267 237.2187 -203331.4359 2526.8802 0.0000 0.0000 51734.4191 -109771.3353 297.3184 -161505.7544 -109419.2432 298.4420 -214.3163 -186.1599 760848.4365 1.6572 1.6818 PRESSURE: 4601800 98.0609 -11.881 17.6546 -11.8799 -5.29467 -249.422 17.6545 -249.422 631.933 GPRESSURE: 4601800 129.901 -93.5018 6.10841 87.047 40.3879 -157.779 129.994 -256.73 627.092 PRESSAVG: 4601800 16.6594 -30.0124 23.2028 -30.0124 -39.6644 -26.0985 23.2027 -26.0984 26.6366 GPRESSAVG: 4601800 16.95 -31.0388 23.0312 -30.7407 -39.567 -25.7789 25.4982 -25.3218 25.9361 TIMING: 4601800 CPU: 14854.7, 0.00313216/step Wall: 14854.7, 0.00313216/step, 0.346452 hours remaining, 237.125000 MB of memory in use. ENERGY: 4601800 3938.8244 20464.2760 14533.9480 248.4113 -203362.3882 2559.3259 0.0000 0.0000 52034.7546 -109582.8480 299.0445 -161617.6026 -109229.8197 299.0559 241.5663 265.7935 761291.6603 1.2105 1.1063 PRESSURE: 4602000 205.552 108.033 182.977 108.031 300.979 -45.0551 182.977 -45.0555 152.164 GPRESSURE: 4602000 191.759 130.038 228.505 151.634 302.577 -54.9899 112.72 -243.202 239.789 PRESSAVG: 4602000 8.1466 19.5214 14.0183 19.5214 -67.6193 1.32605 14.0183 1.32602 12.1774 GPRESSAVG: 4602000 7.9985 18.0799 13.0278 20.8207 -67.8155 3.26065 12.6836 -2.59071 12.1008 TIMING: 4602000 CPU: 14855.4, 0.00311531/step Wall: 14855.4, 0.00311531/step, 0.344415 hours remaining, 237.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4602000 3955.5611 20560.9030 14510.8804 231.9036 -203467.5537 2780.9581 0.0000 0.0000 52074.5182 -109352.8293 299.2730 -161427.3475 -108990.7483 299.2497 219.5649 244.7084 761489.6184 -15.7651 -15.9054 PRESSURE: 4602200 -71.7068 -149.631 -91.6463 -149.631 743.222 114.916 -91.6467 114.916 -17.9319 GPRESSURE: 4602200 46.9197 -133.779 -55.1588 -122.024 698.844 148.221 -163.203 29.1082 7.32041 PRESSAVG: 4602200 -18.7527 -42.491 32.6525 -42.4911 23.2608 38.5951 32.6524 38.5951 14.0484 GPRESSAVG: 4602200 -19.3151 -42.2977 32.02 -41.8608 23.3537 36.5276 31.243 41.0735 14.8863 TIMING: 4602200 CPU: 14856, 0.00312621/step Wall: 14856, 0.00312621/step, 0.345446 hours remaining, 237.125000 MB of memory in use. ENERGY: 4602200 3952.3459 20399.4267 14429.1595 248.0299 -203158.1643 2483.1721 0.0000 0.0000 52147.9297 -109498.1005 299.6949 -161646.0302 -109127.4860 299.7371 217.8612 251.0279 760412.0969 6.1855 6.3083 PRESSURE: 4602400 -214.565 -45.8959 19.7209 -45.8959 -179.876 75.181 19.7204 75.1807 -50.3953 GPRESSURE: 4602400 -198.264 -26.631 -9.41834 65.0857 -144.075 -0.26223 86.0218 157.94 -24.4855 PRESSAVG: 4602400 -37.7645 25.1292 19.422 25.1292 12.9359 16.7235 19.4219 16.7236 -30.9793 GPRESSAVG: 4602400 -36.8 27.1816 18.5382 21.5002 12.8527 17.1668 21.8695 15.9866 -31.1069 TIMING: 4602400 CPU: 14856.6, 0.0031533/step Wall: 14856.6, 0.0031533/step, 0.348265 hours remaining, 237.125000 MB of memory in use. ENERGY: 4602400 4038.9216 20356.6006 14464.8000 245.5878 -203084.8042 2421.0315 0.0000 0.0000 52110.7164 -109447.1464 299.4810 -161557.8628 -109072.4930 299.2142 -148.2788 -122.2750 763851.9119 -18.6026 -18.3514 PRESSURE: 4602600 -21.2942 -197.598 -91.8636 -197.597 352.999 -4.01758 -91.8647 -4.01691 277.799 GPRESSURE: 4602600 17.1701 -194.567 -103.194 -250.623 392.001 11.3114 -29.0268 -5.45191 273.538 PRESSAVG: 4602600 25.2187 -28.6229 -24.8013 -28.623 -57.7667 2.12216 -24.8013 2.12215 -19.2877 GPRESSAVG: 4602600 24.7078 -30.0942 -22.6654 -27.2618 -56.7392 1.41528 -24.8568 3.35508 -19.8378 TIMING: 4602600 CPU: 14857.3, 0.00315467/step Wall: 14857.3, 0.00315467/step, 0.348241 hours remaining, 237.125000 MB of memory in use. ENERGY: 4602600 3916.5109 20525.0210 14393.6833 225.9302 -203865.4379 3062.1129 0.0000 0.0000 52155.1255 -109587.0542 299.7362 -161742.1797 -109233.7891 299.1788 203.1678 227.5698 762626.5015 -17.2786 -17.2897 PRESSURE: 4602800 -90.4091 58.175 246.789 58.1743 -147.869 -13.9999 246.788 -14.001 -397.937 GPRESSURE: 4602800 -95.6435 88.6117 147.234 68.0104 -121.75 10.3259 207.724 -51.8148 -345.244 PRESSAVG: 4602800 48.0231 -44.3527 0.149973 -44.3526 -73.1304 111.078 0.149912 111.078 -14.0233 GPRESSAVG: 4602800 48.9615 -44.1591 -1.11892 -43.5924 -73.5626 111.97 -0.336145 108.344 -13.9516 TIMING: 4602800 CPU: 14857.9, 0.00315439/step Wall: 14857.9, 0.00315439/step, 0.348034 hours remaining, 237.125000 MB of memory in use. ENERGY: 4602800 4009.3017 20594.3760 14470.7108 247.4023 -203112.1344 2329.2939 0.0000 0.0000 51932.0272 -109529.0225 298.4541 -161461.0496 -109176.2073 298.7394 -212.0716 -187.5461 764086.0377 -13.0435 -12.8509 PRESSURE: 4603000 -93.6812 31.3982 -55.0234 31.3977 102.347 -111.294 -55.0227 -111.294 43.7007 GPRESSURE: 4603000 -43.4957 70.9347 24.1222 -9.71535 161.733 -162.813 -97.5663 -91.2435 40.6245 PRESSAVG: 4603000 -6.30074 30.6052 3.28424 30.6053 -3.01471 -13.9519 3.28428 -13.952 20.2423 GPRESSAVG: 4603000 -7.23838 31.4376 4.42011 29.2137 -2.37133 -14.9466 1.76927 -11.126 20.4803 TIMING: 4603000 CPU: 14858.5, 0.00317022/step Wall: 14858.5, 0.00317022/step, 0.349605 hours remaining, 237.125000 MB of memory in use. ENERGY: 4603000 3962.9484 20274.2108 14495.4117 242.9645 -203286.5241 2873.2953 0.0000 0.0000 51908.2616 -109529.4318 298.3175 -161437.6934 -109176.1175 299.1815 17.4555 52.9540 761257.5381 3.6423 3.6235 PRESSURE: 4603200 -472.805 -169.317 82.5517 -169.317 -689.953 102.404 82.5509 102.404 -366.053 GPRESSURE: 4603200 -460.621 -139.352 88.5706 -105.385 -558.513 -5.68777 48.3661 73.4666 -399.671 PRESSAVG: 4603200 57.2845 -28.6541 -18.0591 -28.6542 -34.5927 -1.75331 -18.0591 -1.75326 18.5542 GPRESSAVG: 4603200 58.5738 -30.0658 -16.2003 -24.7417 -34.6633 -1.43781 -16.5672 -3.11911 17.416 TIMING: 4603200 CPU: 14859.1, 0.00314878/step Wall: 14859.1, 0.00314878/step, 0.347066 hours remaining, 237.125000 MB of memory in use. ENERGY: 4603200 4069.1302 20357.0766 14460.1360 250.5707 -202586.5977 2238.0619 0.0000 0.0000 52047.4819 -109164.1405 299.1176 -161211.6224 -108810.0287 299.6452 -509.6040 -472.9348 763665.8681 13.7487 13.7755 PRESSURE: 4603400 -165.19 150.814 10.6106 150.814 118.672 247.546 10.6105 247.545 566.99 GPRESSURE: 4603400 -86.4046 90.5445 -38.696 94.9444 126.985 178.766 -7.9479 96.2447 547.073 PRESSAVG: 4603400 -23.7917 -17.0453 -8.14968 -17.0453 -12.305 29.1502 -8.14973 29.1502 -1.88674 GPRESSAVG: 4603400 -23.8504 -17.2987 -11.0622 -18.3444 -13.7952 30.8121 -7.32998 27.5226 -0.168537 TIMING: 4603400 CPU: 14859.8, 0.00318308/step Wall: 14859.8, 0.00318308/step, 0.35067 hours remaining, 237.125000 MB of memory in use. ENERGY: 4603400 4021.1357 20421.1325 14499.9377 225.6770 -203421.5869 2813.8794 0.0000 0.0000 52154.4428 -109285.3819 299.7323 -161439.8247 -108929.5178 299.5069 173.4903 195.8845 762240.4363 -12.6611 -12.6047 PRESSURE: 4603600 -16.1968 237.558 -17.0952 237.559 -56.1363 -104.724 -17.0955 -104.724 -164.87 GPRESSURE: 4603600 28.4074 156.088 -73.1648 267.44 -135.751 -190.425 -39.5428 30.8477 -57.1227 PRESSAVG: 4603600 64.9433 -44.4727 11.0979 -44.4727 -32.4955 41.8079 11.0979 41.808 -4.63691 GPRESSAVG: 4603600 63.6692 -41.9841 13.1496 -45.8278 -31.3952 38.8696 11.3976 47.462 -4.24592 TIMING: 4603600 CPU: 14860.4, 0.00313814/step Wall: 14860.4, 0.00313814/step, 0.345544 hours remaining, 237.125000 MB of memory in use. ENERGY: 4603600 3920.2959 20682.9917 14490.4238 239.5615 -203309.7393 2503.9471 0.0000 0.0000 52071.1272 -109401.3922 299.2535 -161472.5193 -109035.4285 299.5904 -79.0676 -54.8220 761326.2925 9.2703 9.3427 PRESSURE: 4603800 -315.359 16.9523 -232.972 16.9515 194.51 -77.343 -232.971 -77.3431 126.476 GPRESSURE: 4603800 -220.808 9.84857 -252.653 51.0735 198.55 -109.322 -133.974 -98.4412 112.405 PRESSAVG: 4603800 -8.3971 -34.7227 37.9931 -34.7227 22.0478 14.6358 37.9931 14.6358 1.12146 GPRESSAVG: 4603800 -8.20801 -37.4175 37.9811 -34.5061 22.7243 15.6314 36.8825 11.2418 0.203177 TIMING: 4603800 CPU: 14861, 0.00313643/step Wall: 14861, 0.00313643/step, 0.345181 hours remaining, 237.125000 MB of memory in use. ENERGY: 4603800 3892.7614 20574.1866 14397.2973 241.7882 -202937.9600 2362.9237 0.0000 0.0000 51944.8691 -109524.1336 298.5279 -161469.0027 -109167.9024 299.0575 1.8759 30.0492 761718.6745 4.9241 4.9065 PRESSURE: 4604000 -208.852 33.3612 -74.1933 33.3613 -36.0306 116.123 -74.1934 116.122 403.48 GPRESSURE: 4604000 -147.271 158.346 -54.6087 193.21 -29.7183 9.7232 -35.6201 122.328 430.761 PRESSAVG: 4604000 -26.8295 9.38477 13.8201 9.38482 19.6987 2.62997 13.8201 2.62989 -0.0972374 GPRESSAVG: 4604000 -26.64 11.9087 13.7818 8.49243 19.0254 2.7171 13.8673 2.34725 0.585976 TIMING: 4604000 CPU: 14861.7, 0.0031364/step Wall: 14861.7, 0.0031364/step, 0.345004 hours remaining, 237.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4604000 3940.6998 20493.3538 14469.3411 250.7136 -203057.4361 2399.6132 0.0000 0.0000 51844.9772 -109658.7373 297.9538 -161503.7145 -109299.0606 298.8437 52.8657 84.5905 763258.7546 -2.4093 -2.3429 PRESSURE: 4604200 229.946 4.45974 -70.7018 4.46008 60.5919 -30.5762 -70.702 -30.5751 301.908 GPRESSURE: 4604200 307.061 -2.35701 -64.6951 -26.1492 115.503 3.53193 -1.87285 -115.849 254.512 PRESSAVG: 4604200 17.1663 15.3175 20.4345 15.3175 -48.6163 15.2064 20.4346 15.2064 8.53017 GPRESSAVG: 4604200 17.3265 13.6664 19.0856 16.4934 -48.5532 16.0457 22.119 14.832 8.28679 TIMING: 4604200 CPU: 14862.3, 0.00314221/step Wall: 14862.3, 0.0031422/step, 0.345468 hours remaining, 237.125000 MB of memory in use. ENERGY: 4604200 3974.5003 20383.1782 14394.5094 239.5074 -203493.9306 2723.2414 0.0000 0.0000 52261.2760 -109517.7178 300.3463 -161778.9938 -109146.8365 299.5634 197.4819 225.6920 761225.1675 -7.6400 -7.6467 LDB: ============= START OF LOAD BALANCING ============== 14874.7 LDB: ============== END OF LOAD BALANCING =============== 14874.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14874.7 LDB: ============= START OF LOAD BALANCING ============== 14875 LDB: Largest compute 7025 load 0.032579 is 16.7% of average load 0.195527 LDB: Average compute 0.004418 is 2.3% of average load 0.195527 LDB: TIME 14875 LOAD: AVG 0.195527 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.75 MB LDB: TIME 14875 LOAD: AVG 0.195527 MAX 0.212879 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: TIME 14875 LOAD: AVG 0.195527 MAX 0.212879 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: ============== END OF LOAD BALANCING =============== 14875 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14875 PRESSURE: 4604400 155.296 -133.296 240.36 -133.296 -145.011 -124.084 240.36 -124.085 135.211 GPRESSURE: 4604400 191.07 -159.424 261.179 -48.2825 -150.414 -122.271 154.956 -99.4574 188.91 PRESSAVG: 4604400 71.0599 29.1759 15.1625 29.1759 -46.3068 6.95756 15.1626 6.95754 0.852496 GPRESSAVG: 4604400 71.5566 30.3666 16.1308 30.2611 -46.4971 6.50915 14.452 7.65779 0.248869 TIMING: 4604400 CPU: 14862.9, 0.00322916/step Wall: 14862.9, 0.00322916/step, 0.354849 hours remaining, 234.171875 MB of memory in use. ENERGY: 4604400 4002.9149 20609.2448 14507.7571 269.2540 -203455.9983 2653.3175 0.0000 0.0000 51824.9768 -109588.5332 297.8389 -161413.5100 -109231.4777 298.8440 48.4987 76.5220 761384.1049 8.5352 8.4361 PRESSURE: 4604600 -173.897 169.225 100.097 169.225 -415.363 -303.166 100.096 -303.166 40.1868 GPRESSURE: 4604600 -187.501 128.961 83.426 154.187 -342.624 -267.931 25.8535 -309.331 83.5414 PRESSAVG: 4604600 36.5218 16.2235 57.4932 16.2235 -16.2707 -16.488 57.4932 -16.4881 2.85077 GPRESSAVG: 4604600 35.8842 17.5659 58.6651 14.1896 -16.1407 -17.3283 55.9789 -17.2696 3.56986 TIMING: 4604600 CPU: 14863.6, 0.00313656/step Wall: 14863.6, 0.00313656/step, 0.344498 hours remaining, 234.171875 MB of memory in use. ENERGY: 4604600 4003.3458 20503.8816 14445.1516 240.7350 -203187.8928 2390.6513 0.0000 0.0000 52137.5594 -109466.5681 299.6353 -161604.1274 -109093.0816 298.9446 -183.0244 -148.8611 761840.3420 7.7006 7.7711 PRESSURE: 4604800 19.6086 -16.528 87.1293 -16.5283 -47.0761 -67.1011 87.1291 -67.1016 59.7558 GPRESSURE: 4604800 11.2566 -32.9798 81.6594 10.173 23.3317 -93.3996 23.7148 -71.3403 91.0415 PRESSAVG: 4604800 19.9432 -9.05105 -10.7671 -9.05109 -22.3383 -38.4265 -10.7671 -38.4265 -4.96358 GPRESSAVG: 4604800 21.1799 -11.0396 -11.946 -7.26039 -23.1622 -36.0134 -8.96166 -37.317 -5.48677 TIMING: 4604800 CPU: 14864.2, 0.00311117/step Wall: 14864.2, 0.00311117/step, 0.341537 hours remaining, 234.171875 MB of memory in use. ENERGY: 4604800 4013.6971 20468.1659 14506.5891 255.4653 -203531.6115 2565.3243 0.0000 0.0000 51855.2847 -109867.0849 298.0130 -161722.3696 -109510.1032 298.9955 10.7628 41.8766 760148.0404 -2.4529 -2.4897 PRESSURE: 4605000 -116.49 -16.3772 -29.6463 -16.3771 -513.215 189.771 -29.6457 189.771 -158.099 GPRESSURE: 4605000 -202.177 -22.348 -26.7584 -14.9958 -404.753 169.274 -10.9526 95.7869 -98.9913 PRESSAVG: 4605000 -42.7148 14.9694 -17.3333 14.9693 30.3899 50.3888 -17.3333 50.3887 10.0865 GPRESSAVG: 4605000 -43.7425 14.0973 -15.8101 15.0234 31.0836 48.3183 -18.8158 50.8744 10.0996 TIMING: 4605000 CPU: 14864.8, 0.00313334/step Wall: 14864.8, 0.00313334/step, 0.343797 hours remaining, 234.171875 MB of memory in use. ENERGY: 4605000 3943.3300 20387.7600 14488.8161 250.3676 -203201.4464 2230.2535 0.0000 0.0000 52159.4151 -109741.5041 299.7609 -161900.9193 -109386.5572 298.5574 -262.6016 -235.3071 760880.8544 -0.7462 -0.8531 PRESSURE: 4605200 -198.075 104.03 37.5164 104.03 -262.659 226.138 37.5161 226.139 -273.687 GPRESSURE: 4605200 -213.562 221.167 8.70796 -69.2774 -256.874 188.833 66.444 232.581 -147.079 PRESSAVG: 4605200 40.2132 18.7001 18.7513 18.7 -25.3113 49.4805 18.7513 49.4805 27.7293 GPRESSAVG: 4605200 38.7694 18.9661 17.1906 18.3537 -25.989 50.8639 19.7211 48.2012 29.4085 TIMING: 4605200 CPU: 14865.4, 0.00313855/step Wall: 14865.4, 0.00313855/step, 0.344194 hours remaining, 234.171875 MB of memory in use. ENERGY: 4605200 3985.6625 20472.1808 14511.1042 237.3904 -203523.1679 2474.6901 0.0000 0.0000 52208.1943 -109633.9455 300.0412 -161842.1399 -109278.6226 299.4729 -244.8071 -205.8381 760886.9672 14.2104 14.0629 PRESSURE: 4605400 14.0044 -124.94 -8.23817 -124.94 163.483 -379.636 -8.23837 -379.636 114.787 GPRESSURE: 4605400 23.9447 -60.1548 -109.836 -100.981 221.226 -414.19 82.4955 -267.573 125.945 PRESSAVG: 4605400 3.23321 -29.4366 -3.24834 -29.4366 5.21113 -18.3697 -3.2484 -18.3697 -4.76113 GPRESSAVG: 4605400 5.38999 -27.7064 -1.35263 -30.1699 4.85094 -19.5568 -6.29964 -16.6491 -6.27497 TIMING: 4605400 CPU: 14866.1, 0.00312734/step Wall: 14866.1, 0.00312734/step, 0.342792 hours remaining, 234.171875 MB of memory in use. ENERGY: 4605400 4030.0509 20618.8975 14453.9946 265.6432 -204010.5221 3025.8630 0.0000 0.0000 51860.4580 -109755.6150 298.0428 -161616.0729 -109399.2802 299.2233 97.4251 123.7053 760000.8920 1.2277 1.3220 PRESSURE: 4605600 269.76 -51.0742 272.42 -51.0745 -218.436 72.0762 272.42 72.0758 137.038 GPRESSURE: 4605600 187.222 21.9113 276.237 2.36832 -70.5405 24.4589 383.247 218.468 153.968 PRESSAVG: 4605600 -25.9306 6.55927 -5.48819 6.55929 68.3721 -26.0472 -5.48823 -26.0472 6.98051 GPRESSAVG: 4605600 -27.3753 6.94799 -6.10342 5.65257 68.9158 -25.5241 -4.84591 -27.5279 7.5277 TIMING: 4605600 CPU: 14866.7, 0.00312571/step Wall: 14866.7, 0.00312571/step, 0.342439 hours remaining, 234.171875 MB of memory in use. ENERGY: 4605600 4016.2781 20593.6663 14422.2244 252.3323 -204007.6429 2934.7740 0.0000 0.0000 52081.2006 -109707.1674 299.3114 -161788.3680 -109350.0475 298.9667 62.7873 90.2167 759961.1033 16.4740 16.3561 PRESSURE: 4605800 -57.4905 -207.954 -72.2456 -207.954 192.162 102.22 -72.2459 102.22 62.1752 GPRESSURE: 4605800 -15.7975 -230.927 96.8989 -247.881 200.694 95.0936 -137.358 49.2147 103.46 PRESSAVG: 4605800 25.1174 -9.24683 9.3748 -9.2468 -27.4495 -22.9596 9.37479 -22.9597 3.56301 GPRESSAVG: 4605800 25.23 -11.9142 9.93247 -7.43497 -27.4328 -22.9855 11.2812 -22.6837 3.49943 TIMING: 4605800 CPU: 14867.3, 0.00312333/step Wall: 14867.3, 0.00312333/step, 0.342004 hours remaining, 234.171875 MB of memory in use. ENERGY: 4605800 3894.1216 20529.0537 14469.2290 250.4880 -203528.5317 2723.2855 0.0000 0.0000 51886.0820 -109776.2720 298.1900 -161662.3540 -109422.1316 299.2920 65.6156 96.1190 760821.9928 0.4103 0.4322 PRESSURE: 4606000 -308.581 -203.054 -208.083 -203.054 -83.0355 -253.96 -208.083 -253.961 -150.611 GPRESSURE: 4606000 -233.499 -40.3469 -230.142 -144.588 -35.0169 -245.655 -144.276 -79.2104 -194.482 PRESSAVG: 4606000 29.9903 -12.4278 38.2532 -12.4277 -39.0961 -65.589 38.2532 -65.589 -4.06456 GPRESSAVG: 4606000 30.0677 -10.2984 38.983 -11.9804 -39.9379 -64.7574 36.893 -66.0659 -3.79614 TIMING: 4606000 CPU: 14867.9, 0.00312468/step Wall: 14867.9, 0.00312468/step, 0.341979 hours remaining, 234.171875 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: 4606000 3977.4795 20580.5083 14515.3484 248.8994 -203168.6756 2594.3478 0.0000 0.0000 51903.0552 -109349.0369 298.2876 -161252.0921 -108984.7682 299.0666 -180.7427 -154.3326 759926.3454 -4.3901 -4.5555 PRESSURE: 4606200 52.0562 -57.788 68.1605 -57.7884 -109.602 173.163 68.1606 173.162 383.642 GPRESSURE: 4606200 65.2113 -120.696 76.1598 -80.8832 -61.6219 260.417 126.43 81.6327 424.816 PRESSAVG: 4606200 59.2924 -15.5703 52.2712 -15.5703 -45.6724 36.1987 52.2712 36.1988 -19.6497 GPRESSAVG: 4606200 60.0699 -15.0247 49.0814 -16.7345 -45.4739 35.6288 55.196 37.1755 -20.8995 TIMING: 4606200 CPU: 14868.6, 0.00314785/step Wall: 14868.6, 0.00314785/step, 0.344339 hours remaining, 234.171875 MB of memory in use. ENERGY: 4606200 3939.5390 20487.9533 14481.8953 239.9421 -202529.5156 2330.0514 0.0000 0.0000 51820.7807 -109229.3538 297.8147 -161050.1345 -108861.7781 299.3421 108.6988 142.8019 762483.9584 -2.0099 -2.1012 PRESSURE: 4606400 -226.121 -178.838 199.99 -178.838 -119.865 119.854 199.991 119.854 -96.4394 GPRESSURE: 4606400 -151.157 -202.768 185.335 -118.202 -55.6841 96.5132 117.182 61.3979 -161.716 PRESSAVG: 4606400 45.2724 -10.5845 -28.2721 -10.5845 -17.4488 12.011 -28.2721 12.0112 -2.80944 GPRESSAVG: 4606400 44.6201 -10.7616 -26.237 -12.2691 -17.7161 11.3955 -29.178 10.6696 -2.18503 TIMING: 4606400 CPU: 14869.2, 0.00312968/step Wall: 14869.2, 0.00312968/step, 0.342179 hours remaining, 234.171875 MB of memory in use. ENERGY: 4606400 3986.1129 20433.3236 14451.9306 257.1545 -202905.9064 2385.9934 0.0000 0.0000 52051.5976 -109339.7938 299.1412 -161391.3914 -108984.4755 299.6688 -147.4750 -122.8524 761947.2466 8.3380 8.2396 PRESSURE: 4606600 354.86 -192.451 -222.456 -192.452 161.556 -228.667 -222.457 -228.667 826.552 GPRESSURE: 4606600 303.038 -198.64 -217.786 -164.55 306.263 -190.951 -212.114 -175.255 811.507 PRESSAVG: 4606600 -3.49884 2.4369 -41.1606 2.43702 -24.8936 -30.9019 -41.1607 -30.9019 -13.0754 GPRESSAVG: 4606600 -4.11866 4.25855 -40.8105 6.33041 -23.0021 -30.357 -43.4707 -28.5316 -14.5192 TIMING: 4606600 CPU: 14869.8, 0.00314784/step Wall: 14869.8, 0.00314784/step, 0.343989 hours remaining, 234.171875 MB of memory in use. ENERGY: 4606600 4061.8168 20357.5147 14441.6253 237.7051 -203770.6241 2920.9057 0.0000 0.0000 52299.8889 -109451.1676 300.5682 -161751.0565 -109088.0809 299.6760 447.6560 473.6027 760237.1245 -13.8226 -13.8800 PRESSURE: 4606800 -564.929 -82.3524 145.271 -82.3516 -95.0147 98.853 145.272 98.8534 -355.666 GPRESSURE: 4606800 -538.343 -82.9304 130.204 -54.2256 -133.518 157.891 125.841 -13.3091 -232.042 PRESSAVG: 4606800 0.374034 -53.2681 -18.424 -53.2681 1.48181 -5.84541 -18.424 -5.84539 6.72524 GPRESSAVG: 4606800 1.19885 -55.0565 -18.0436 -56.0184 0.000458139 -6.57682 -16.0687 -7.41451 6.86147 TIMING: 4606800 CPU: 14870.5, 0.00312787/step Wall: 14870.5, 0.00312787/step, 0.341633 hours remaining, 234.171875 MB of memory in use. ENERGY: 4606800 4001.2542 20617.2624 14493.8998 236.6212 -203388.8161 2543.8742 0.0000 0.0000 52013.9220 -109481.9822 298.9247 -161495.9043 -109125.4182 299.9707 -338.5366 -301.3009 761899.3780 2.8604 2.6869 PRESSURE: 4607000 14.5018 86.8637 140.905 86.8633 229.88 169.122 140.905 169.122 -47.6594 GPRESSURE: 4607000 80.1969 146.447 186.734 -9.81153 283.166 187.347 24.6147 33.8278 -54.2357 PRESSAVG: 4607000 -8.07915 -4.33051 -23.2189 -4.33048 4.27823 -21.0961 -23.2189 -21.0961 27.0779 GPRESSAVG: 4607000 -7.86237 -3.39505 -23.6952 -2.32043 4.12335 -21.3391 -24.7042 -21.6501 27.8089 TIMING: 4607000 CPU: 14871.1, 0.00312836/step Wall: 14871.1, 0.00312836/step, 0.341513 hours remaining, 234.171875 MB of memory in use. ENERGY: 4607000 3947.1093 20446.3050 14484.7449 246.1200 -203231.7853 2566.9599 0.0000 0.0000 51739.5223 -109801.0238 297.3477 -161540.5461 -109448.6754 298.7963 65.5741 103.0424 760693.1490 7.7590 8.0233 PRESSURE: 4607200 -230.676 200.577 -143.889 200.578 -36.7757 -108.064 -143.888 -108.064 121.86 GPRESSURE: 4607200 -190.328 213.039 -187.887 216.275 39.1221 -138.725 -86.0128 -58.6828 83.8468 PRESSAVG: 4607200 23.9385 0.182584 7.42214 0.182635 -22.4368 33.6111 7.42211 33.6111 19.0839 GPRESSAVG: 4607200 23.7149 -1.94997 6.563 0.109189 -21.8474 35.0579 8.45502 31.949 18.632 TIMING: 4607200 CPU: 14871.7, 0.0031198/step Wall: 14871.7, 0.0031198/step, 0.340405 hours remaining, 234.171875 MB of memory in use. ENERGY: 4607200 3995.9397 20432.8885 14463.6901 229.5906 -203323.1251 2473.1010 0.0000 0.0000 51932.4775 -109795.4377 298.4567 -161727.9151 -109434.0704 298.4554 -48.5306 -22.4532 760691.4596 6.8619 6.8332 PRESSURE: 4607400 -407.185 -147.823 -107.076 -147.824 -486.665 -269.272 -107.076 -269.272 -427.941 GPRESSURE: 4607400 -361.772 64.1874 -142.921 -141.136 -409.561 -299.861 -63.4975 -140.207 -456.699 PRESSAVG: 4607400 11.7196 -22.1234 15.3382 -22.1234 37.9057 18.9082 15.3382 18.9083 0.1467 GPRESSAVG: 4607400 11.6176 -19.9855 16.3633 -23.0835 38.5017 18.7232 15.1364 20.9287 -0.2905 TIMING: 4607400 CPU: 14872.3, 0.00312975/step Wall: 14872.3, 0.00312975/step, 0.341317 hours remaining, 234.171875 MB of memory in use. ENERGY: 4607400 4015.3372 20385.0952 14498.5750 234.7728 -203811.7234 2819.5697 0.0000 0.0000 51875.3422 -109983.0313 298.1283 -161858.3735 -109621.8626 298.1931 -440.5967 -409.3442 762921.7656 16.5907 16.6096 PRESSURE: 4607600 -8.34093 20.6515 135.536 20.6518 171.507 161.218 135.535 161.219 158.634 GPRESSURE: 4607600 110.384 34.7224 57.4468 1.75051 150.807 175.824 39.5505 171.08 162.539 PRESSAVG: 4607600 -27.0234 -12.9067 -19.7801 -12.9066 -1.45887 2.48187 -19.7801 2.48179 -0.155029 GPRESSAVG: 4607600 -27.4955 -14.5012 -18.6499 -10.5537 -2.01671 1.32277 -21.2216 2.39863 0.95489 TIMING: 4607600 CPU: 14873, 0.00316866/step Wall: 14873, 0.00316866/step, 0.345384 hours remaining, 234.171875 MB of memory in use. ENERGY: 4607600 3978.1831 20496.8537 14505.6865 248.7076 -203478.7826 2715.1466 0.0000 0.0000 51811.9713 -109722.2339 297.7641 -161534.2052 -109369.9297 298.0694 107.2667 141.2432 762858.2858 -9.5458 -9.5191 PRESSURE: 4607800 -184.562 -75.3674 78.0801 -75.3685 -98.5658 257.058 78.0802 257.059 -139.856 GPRESSURE: 4607800 -172.686 -58.1704 -27.4117 -55.9558 -73.334 180.17 100.088 349.393 -81.8394 PRESSAVG: 4607800 29.9093 -31.8581 -10.9003 -31.8581 -20.6689 51.5173 -10.9004 51.5173 17.411 GPRESSAVG: 4607800 30.7064 -31.4037 -12.5648 -34.4934 -21.1682 49.7936 -11.592 53.4767 17.3118 TIMING: 4607800 CPU: 14873.6, 0.00316189/step Wall: 14873.6, 0.00316189/step, 0.344471 hours remaining, 234.171875 MB of memory in use. ENERGY: 4607800 3917.4046 20425.6358 14622.7118 244.7576 -203163.7046 2190.2083 0.0000 0.0000 52091.7331 -109671.2534 299.3719 -161762.9865 -109308.2490 298.2296 -140.9948 -109.2866 762140.3523 8.8838 8.9500 PRESSURE: 4608000 -112.1 22.717 334.651 22.716 146.654 5.36178 334.651 5.36225 -33.1192 GPRESSURE: 4608000 5.6866 33.2975 228.029 50.2802 232.913 -43.8911 340.737 -13.7328 -153.087 PRESSAVG: 4608000 -70.3969 -6.17944 38.3872 -6.17941 33.5869 32.0631 38.3872 32.063 -5.47524 GPRESSAVG: 4608000 -70.8947 -7.64485 39.5389 -5.64899 33.9192 33.567 40.7074 30.8804 -4.98566 TIMING: 4608000 CPU: 14874.2, 0.00314413/step Wall: 14874.2, 0.00314413/step, 0.342361 hours remaining, 234.171875 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: 4608000 4022.1405 20490.8326 14515.2952 258.6594 -203033.7616 2468.8065 0.0000 0.0000 51880.3555 -109397.6719 298.1571 -161278.0274 -109048.5584 298.5626 0.4782 28.5043 761684.5504 -14.0951 -13.9871 PRESSURE: 4608200 300.661 -237.023 73.0663 -237.023 -144.389 -180.223 73.0665 -180.222 -274.063 GPRESSURE: 4608200 321.781 -74.8048 91.6835 -201.445 -102.17 -150.099 226.522 -224.975 -227.135 PRESSAVG: 4608200 40.25 -41.3267 3.27623 -41.3268 -22.7962 -17.8959 3.27624 -17.8959 0.567621 GPRESSAVG: 4608200 39.8268 -39.1 4.59972 -42.6176 -22.2694 -16.8946 3.30678 -18.0075 -0.299187 TIMING: 4608200 CPU: 14874.9, 0.00315224/step Wall: 14874.9, 0.00315224/step, 0.343069 hours remaining, 234.171875 MB of memory in use. ENERGY: 4608200 3952.3887 20500.9608 14526.8339 265.0621 -203118.5835 2573.1447 0.0000 0.0000 51784.8198 -109515.3734 297.6081 -161300.1932 -109161.3549 299.0096 -39.2636 -2.5083 760806.6720 6.0071 5.7527 LDB: ============= START OF LOAD BALANCING ============== 14887.3 LDB: ============== END OF LOAD BALANCING =============== 14887.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14887.3 LDB: ============= START OF LOAD BALANCING ============== 14887.6 LDB: Largest compute 7066 load 0.031693 is 16.2% of average load 0.195631 LDB: Average compute 0.004404 is 2.3% of average load 0.195631 LDB: TIME 14887.6 LOAD: AVG 0.195631 MAX 0.21244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.836 MB LDB: TIME 14887.6 LOAD: AVG 0.195631 MAX 0.21244 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: TIME 14887.6 LOAD: AVG 0.195631 MAX 0.21244 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: ============== END OF LOAD BALANCING =============== 14887.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14887.6 PRESSURE: 4608400 -412.448 -5.85832 -100.965 -5.85812 -100.456 -75.9521 -100.965 -75.9515 -304.285 GPRESSURE: 4608400 -344.884 -51.4822 -106.912 -19.3798 -86.0487 -69.0979 -48.7745 23.0728 -273.334 PRESSAVG: 4608400 12.5138 -0.763146 13.5309 -0.763152 -19.7768 -4.64605 13.531 -4.64604 1.86261 GPRESSAVG: 4608400 12.352 -3.09651 10.9239 0.130429 -19.6476 -4.28537 14.5851 -5.07419 2.30758 TIMING: 4608400 CPU: 14875.5, 0.00320398/step Wall: 14875.5, 0.00320398/step, 0.348522 hours remaining, 234.687500 MB of memory in use. ENERGY: 4608400 4088.2888 20390.7434 14520.2545 236.0880 -203453.2793 2647.8727 0.0000 0.0000 52023.7144 -109546.3175 298.9810 -161570.0319 -109190.5501 298.7674 -272.3964 -234.7554 759882.9878 -1.8001 -1.6627 PRESSURE: 4608600 -212.764 -42.1938 -121.837 -42.1943 170.189 -218.505 -121.837 -218.505 202.816 GPRESSURE: 4608600 -41.7968 -104.529 -111.151 -17.3481 71.4619 -328.934 -268.095 -237.517 228.673 PRESSAVG: 4608600 23.3088 -42.9419 -13.8243 -42.9419 42.1739 -96.9799 -13.8243 -96.98 10.5301 GPRESSAVG: 4608600 23.9448 -40.3729 -11.8587 -43.5861 42.0786 -97.7259 -17.2366 -94.4472 9.76141 TIMING: 4608600 CPU: 14876.1, 0.00313247/step Wall: 14876.1, 0.00313247/step, 0.34057 hours remaining, 234.824219 MB of memory in use. ENERGY: 4608600 4028.3207 20494.9468 14549.2844 226.1060 -203423.1366 2719.9518 0.0000 0.0000 51960.9265 -109443.6004 298.6202 -161404.5269 -109082.8185 299.5693 53.4138 86.1126 760389.5151 25.3376 25.2616 PRESSURE: 4608800 172.622 -25.8359 -30.3195 -25.836 -145.877 -76.2152 -30.3188 -76.2156 -339.295 GPRESSURE: 4608800 147.809 2.58361 -34.7334 -93.8685 -87.506 -55.6733 17.8795 18.6936 -301.661 PRESSAVG: 4608800 8.96987 -26.1947 -56.2347 -26.1946 33.9966 -18.6006 -56.2348 -18.6006 26.3648 GPRESSAVG: 4608800 8.34082 -27.8014 -58.5449 -26.2176 33.4515 -18.4731 -55.4102 -19.2827 26.8802 TIMING: 4608800 CPU: 14876.8, 0.003138/step Wall: 14876.8, 0.003138/step, 0.340996 hours remaining, 234.824219 MB of memory in use. ENERGY: 4608800 3964.0040 20548.8498 14446.7251 233.7825 -203387.8552 2363.2191 0.0000 0.0000 52242.8278 -109588.4467 300.2402 -161831.2746 -109221.2208 299.1311 -104.1830 -80.4529 760470.8977 23.1104 22.8908 PRESSURE: 4609000 -291.082 146.369 -96.2251 146.37 236.441 -18.4077 -96.2248 -18.4076 -29.6177 GPRESSURE: 4609000 -263.805 156.925 -68.7838 86.7371 265.202 54.2876 -35.9001 -117.725 20.8994 PRESSAVG: 4609000 31.8523 -43.2195 27.0098 -43.2196 -45.2113 0.955844 27.0098 0.955836 23.0664 GPRESSAVG: 4609000 32.0776 -42.1799 28.0709 -42.5119 -45.0676 0.705975 28.3695 1.79451 22.0428 TIMING: 4609000 CPU: 14877.4, 0.00312301/step Wall: 14877.4, 0.00312301/step, 0.339194 hours remaining, 234.824219 MB of memory in use. ENERGY: 4609000 4004.5895 20626.2887 14463.3367 252.6549 -203418.3663 2605.9129 0.0000 0.0000 51976.8651 -109488.7184 298.7118 -161465.5835 -109121.4639 299.0607 -28.0864 7.4324 762523.1150 3.2358 3.0176 PRESSURE: 4609200 404.238 96.1579 59.7689 96.1583 -12.5785 -20.0662 59.7698 -20.0658 -192.141 GPRESSURE: 4609200 417.395 99.622 24.6445 166.407 -11.6845 116.858 -30.681 39.4441 -87.958 PRESSAVG: 4609200 42.6443 -44.8751 -49.6634 -44.875 12.6453 -19.6604 -49.6634 -19.6605 7.16414 GPRESSAVG: 4609200 42.7376 -45.9023 -49.1602 -43.7301 13.1252 -18.3792 -49.975 -21.4624 6.7537 TIMING: 4609200 CPU: 14878, 0.00313174/step Wall: 14878, 0.00313174/step, 0.339967 hours remaining, 234.824219 MB of memory in use. ENERGY: 4609200 3942.9831 20432.5862 14487.4351 256.6568 -203652.2875 2815.0761 0.0000 0.0000 52214.1496 -109503.4007 300.0754 -161717.5503 -109134.8028 299.2702 66.5062 105.9175 761760.1608 20.8179 20.8722 PRESSURE: 4609400 -27.9803 148.763 211.594 148.763 129.306 -32.7673 211.594 -32.7672 0.368404 GPRESSURE: 4609400 3.69001 147.77 205.961 75.5417 195.829 -52.254 124.379 -68.7386 5.62595 PRESSAVG: 4609400 41.1773 -3.34329 7.28891 -3.34329 7.34601 -34.0119 7.28891 -34.0118 5.44948 GPRESSAVG: 4609400 41.0455 -2.76273 7.17039 -4.48804 7.60033 -36.1395 5.55154 -32.8091 5.3452 TIMING: 4609400 CPU: 14878.6, 0.00312735/step Wall: 14878.6, 0.00312735/step, 0.339317 hours remaining, 234.824219 MB of memory in use. ENERGY: 4609400 3950.0586 20359.6299 14518.0641 251.2615 -203575.5301 2741.4846 0.0000 0.0000 52024.1944 -109730.8371 298.9838 -161755.0315 -109367.4483 298.7658 33.8979 68.3817 761089.9243 17.9909 17.9970 PRESSURE: 4609600 278.143 -0.440328 -83.6898 -0.440602 -146.887 -202.202 -83.6898 -202.202 435.077 GPRESSURE: 4609600 274.617 -66.305 -87.1866 53.4262 -36.0373 -224.543 -67.9321 -109.332 406.306 PRESSAVG: 4609600 -7.94482 45.1604 -28.6807 45.1604 6.60646 -64.3967 -28.6807 -64.3967 18.1016 GPRESSAVG: 4609600 -8.67342 42.764 -28.8296 47.0835 5.05677 -63.4291 -28.4165 -65.9223 20.5117 TIMING: 4609600 CPU: 14879.3, 0.00313253/step Wall: 14879.3, 0.00313253/step, 0.339706 hours remaining, 234.824219 MB of memory in use. ENERGY: 4609600 3941.4352 20352.3905 14412.3157 247.7605 -203708.7955 2914.7911 0.0000 0.0000 52149.6552 -109690.4475 299.7048 -161840.1027 -109305.9168 298.0978 188.7776 214.9617 761910.5467 5.5877 5.6317 PRESSURE: 4609800 -109.265 86.1216 145.897 86.1223 98.5013 52.0252 145.896 52.0261 127.85 GPRESSURE: 4609800 -24.8502 94.2266 91.5381 125.645 112.175 84.5372 208.519 37.094 129.996 PRESSAVG: 4609800 -50.0692 6.03323 -63.8615 6.03328 9.27413 32.6221 -63.8616 32.6221 -1.01647 GPRESSAVG: 4609800 -48.413 7.55168 -64.3593 5.87466 9.96539 33.3871 -61.7516 34.9311 -2.83296 TIMING: 4609800 CPU: 14879.9, 0.00313529/step Wall: 14879.9, 0.0031353/step, 0.339831 hours remaining, 234.824219 MB of memory in use. ENERGY: 4609800 3966.6861 20341.9570 14485.6221 229.4790 -203423.1177 2760.6779 0.0000 0.0000 51946.4124 -109692.2831 298.5367 -161638.6955 -109332.5293 298.0549 39.0286 72.4405 763218.0895 -13.9372 -13.7602 PRESSURE: 4610000 121.262 39.1331 -20.3873 39.1325 -297.053 147.533 -20.3876 147.532 316.13 GPRESSURE: 4610000 143.46 -120.217 5.59931 34.2725 -141.211 200.73 -101.307 116.824 227.908 PRESSAVG: 4610000 -0.113148 -19.2335 -21.4502 -19.2335 -0.707623 -42.2825 -21.4503 -42.2825 -2.2195 GPRESSAVG: 4610000 -1.27921 -19.5143 -20.5338 -21.4628 0.892882 -42.5277 -21.8957 -44.3844 -2.30341 TIMING: 4610000 CPU: 14880.5, 0.00315556/step Wall: 14880.5, 0.00315556/step, 0.341852 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4610000 4062.3429 20366.5666 14441.6873 235.9522 -203434.0769 2687.2788 0.0000 0.0000 51747.4162 -109892.8329 297.3931 -161640.2491 -109526.0308 298.4306 46.7797 76.7189 763833.5960 -1.0134 -0.8966 PRESSURE: 4610200 -88.5906 44.8424 -143.862 44.8431 368.366 107.335 -143.862 107.335 273.641 GPRESSURE: 4610200 20.1095 112.603 -235.116 -3.00779 318.064 90.4839 -99.973 107.358 322.439 PRESSAVG: 4610200 -10.1076 55.9919 1.50399 55.9919 -24.4435 4.60472 1.50398 4.60473 -7.97421 GPRESSAVG: 4610200 -8.00423 56.7936 0.306895 57.6879 -26.2437 3.79616 0.0186941 5.46638 -7.84332 TIMING: 4610200 CPU: 14881.1, 0.00313308/step Wall: 14881.1, 0.00313308/step, 0.339243 hours remaining, 234.824219 MB of memory in use. ENERGY: 4610200 3976.5548 20335.0813 14423.6884 263.2950 -203596.9797 2765.9409 0.0000 0.0000 51987.5099 -109844.9094 298.7729 -161832.4193 -109485.1785 298.0431 184.4719 220.2043 761817.6574 -14.1751 -14.0304 PRESSURE: 4610400 279.941 -317.661 37.0634 -317.661 125.929 223.155 37.0631 223.155 362.456 GPRESSURE: 4610400 292.617 -184.205 -31.992 -280.812 263.779 192.84 86.8708 266.546 293.11 PRESSAVG: 4610400 8.66342 10.4166 13.2336 10.4166 20.1655 -9.21142 13.2337 -9.21145 -26.3901 GPRESSAVG: 4610400 8.29634 12.1358 14.8289 10.7246 20.2624 -7.443 13.1818 -11.0112 -26.2086 TIMING: 4610400 CPU: 14881.8, 0.00314583/step Wall: 14881.8, 0.00314583/step, 0.340449 hours remaining, 234.824219 MB of memory in use. ENERGY: 4610400 3940.5982 20407.4047 14487.8133 257.6441 -203486.2438 2652.5864 0.0000 0.0000 52184.9135 -109555.2837 299.9074 -161740.1971 -109181.5212 298.5567 256.1084 283.1686 762925.5149 0.8129 0.7834 PRESSURE: 4610600 -139.921 121.571 66.9523 121.572 -200.161 -48.1023 66.9529 -48.1024 -382.585 GPRESSURE: 4610600 -131.592 39.5998 34.9346 88.4184 -156.982 -73.0427 -62.3973 -223.245 -359.357 PRESSAVG: 4610600 -18.7421 7.38165 38.0763 7.38167 -4.27043 4.80313 38.0764 4.80304 33.8387 GPRESSAVG: 4610600 -19.4686 7.07049 38.3063 6.57644 -4.66029 3.00506 36.1126 7.35655 34.7 TIMING: 4610600 CPU: 14882.4, 0.00313602/step Wall: 14882.4, 0.00313602/step, 0.339212 hours remaining, 234.824219 MB of memory in use. ENERGY: 4610600 4022.2172 20628.3193 14465.0104 230.7118 -203007.3055 2395.2177 0.0000 0.0000 51866.5267 -109399.3024 298.0776 -161265.8291 -109042.1010 299.5094 -240.8887 -215.9770 764100.6431 3.6087 3.5237 PRESSURE: 4610800 148.307 82.407 57.879 82.4072 -171.73 -214.482 57.8786 -214.483 110.783 GPRESSURE: 4610800 166.242 44.4072 151.918 130.98 -159.899 -215.236 97.7418 -241.772 169.685 PRESSAVG: 4610800 20.5719 13.5212 -22.5306 13.5212 -3.42208 -58.6605 -22.5306 -58.6606 10.6759 GPRESSAVG: 4610800 20.5607 13.0516 -21.9355 14.5541 -2.99527 -59.4996 -20.2873 -60.0618 9.98299 TIMING: 4610800 CPU: 14883, 0.00313419/step Wall: 14883, 0.00313419/step, 0.338841 hours remaining, 234.824219 MB of memory in use. ENERGY: 4610800 4076.5491 20439.7013 14507.9732 246.2147 -203528.8537 2654.4170 0.0000 0.0000 52187.6902 -109416.3082 299.9234 -161603.9984 -109051.5874 299.5168 29.1199 58.6757 761452.0020 9.2752 9.1828 PRESSURE: 4611000 -15.8519 -112.424 167.778 -112.423 242.248 30.7704 167.778 30.7705 291.497 GPRESSURE: 4611000 -68.0646 -109.804 219.158 -104.313 288.659 139.033 166.758 75.7134 373.064 PRESSAVG: 4611000 9.069 16.1589 36.6206 16.1589 4.80424 -15.7094 36.6206 -15.7094 12.9087 GPRESSAVG: 4611000 8.31891 17.8954 36.8217 13.9579 5.62427 -14.8027 36.2779 -11.3719 12.5871 TIMING: 4611000 CPU: 14883.6, 0.00313539/step Wall: 14883.6, 0.00313539/step, 0.338797 hours remaining, 234.824219 MB of memory in use. ENERGY: 4611000 4031.6985 20529.1361 14396.8050 267.6981 -203602.0803 2624.7757 0.0000 0.0000 52121.3516 -109630.6152 299.5421 -161751.9668 -109262.8222 299.9241 172.6309 197.8861 758914.8021 8.9273 8.8434 PRESSURE: 4611200 -172.471 -327.496 82.6376 -327.496 90.8807 278.427 82.6389 278.427 -109.538 GPRESSURE: 4611200 -237.615 -399.038 17.9501 -320.856 126.1 304.029 123.663 167.598 26.5177 PRESSAVG: 4611200 -43.1966 23.7551 57.8665 23.7552 17.7914 -31.2512 57.8665 -31.2512 1.0222 GPRESSAVG: 4611200 -43.1516 24.4028 56.0803 24.5475 16.9336 -30.2512 57.0136 -35.3237 1.7563 TIMING: 4611200 CPU: 14884.3, 0.00314051/step Wall: 14884.3, 0.00314051/step, 0.339175 hours remaining, 234.824219 MB of memory in use. ENERGY: 4611200 4047.9909 20429.8770 14429.6621 264.2444 -203592.4475 2739.1870 0.0000 0.0000 52058.1279 -109623.3583 299.1788 -161681.4861 -109256.7078 298.9763 -63.7096 -28.3322 760934.8158 -8.1277 -8.1539 PRESSURE: 4611400 72.4369 147.556 -11.7341 147.556 -24.1151 21.0169 -11.7334 21.018 11.5255 GPRESSURE: 4611400 31.1841 85.8716 36.8173 94.1707 102.796 -10.4109 58.7523 19.9994 12.0365 PRESSAVG: 4611400 -58.9843 -16.3711 -50.5667 -16.3711 41.1703 -16.3462 -50.5667 -16.3462 6.53257 GPRESSAVG: 4611400 -59.9198 -19.6255 -49.6085 -14.7382 42.3356 -18.2457 -48.2791 -13.9205 6.13201 TIMING: 4611400 CPU: 14884.9, 0.00313254/step Wall: 14884.9, 0.00313254/step, 0.33814 hours remaining, 234.824219 MB of memory in use. ENERGY: 4611400 3961.5732 20748.7769 14462.8930 242.7636 -203895.3699 3021.6352 0.0000 0.0000 51761.1659 -109696.5622 297.4721 -161457.7280 -109335.2335 299.1323 19.9491 48.6721 760906.3875 -3.7605 -3.8174 PRESSURE: 4611600 -203.303 105.05 -112.294 105.049 65.1963 316.168 -112.293 316.167 -7.20495 GPRESSURE: 4611600 -117.189 9.77314 -117.075 81.5303 -14.3534 374.615 -15.6497 180.369 81.421 PRESSAVG: 4611600 15.0521 5.35294 -45.9591 5.35296 -65.5367 29.1926 -45.9591 29.1926 -2.95667 GPRESSAVG: 4611600 17.2778 6.61327 -47.5263 4.51229 -67.1507 31.0771 -46.371 26.3369 -3.4553 TIMING: 4611600 CPU: 14885.5, 0.00309913/step Wall: 14885.5, 0.00309913/step, 0.334362 hours remaining, 234.824219 MB of memory in use. ENERGY: 4611600 4019.7045 20584.8903 14429.6802 231.0709 -203744.4456 2545.6760 0.0000 0.0000 51996.8863 -109936.5374 298.8268 -161933.4237 -109566.5451 298.6093 -48.4373 -16.7071 760757.3226 -17.8137 -17.7761 PRESSURE: 4611800 -110.665 28.1883 78.103 28.1886 136.331 -273.723 78.1043 -273.722 -129.556 GPRESSURE: 4611800 -123.533 67.6555 63.0569 1.73617 169.612 -306.309 117.937 -121.525 -41.7192 PRESSAVG: 4611800 5.00573 37.0983 -6.90513 37.0983 -40.1588 -17.1893 -6.90516 -17.1893 1.83895 GPRESSAVG: 4611800 4.71557 37.0502 -6.76699 36.805 -40.5123 -17.923 -8.84335 -15.262 2.74643 TIMING: 4611800 CPU: 14886.1, 0.00311566/step Wall: 14886.1, 0.00311566/step, 0.335972 hours remaining, 234.824219 MB of memory in use. ENERGY: 4611800 4022.6053 20541.7403 14474.1332 254.4126 -203957.9933 2830.1563 0.0000 0.0000 51841.0866 -109993.8590 297.9314 -161834.9456 -109629.0046 298.0614 -34.6303 1.4532 759430.0736 -11.1047 -11.0168 PRESSURE: 4612000 -143.706 6.69192 31.708 6.69065 -77.0024 -30.9399 31.7078 -30.9404 252.271 GPRESSURE: 4612000 -93.8324 89.0245 104.826 -67.3066 -3.81433 17.192 107.645 -93.011 211.431 PRESSAVG: 4612000 27.774 6.62241 -10.4269 6.62238 -41.0346 -6.28063 -10.4268 -6.28066 -9.14419 GPRESSAVG: 4612000 27.896 8.50653 -10.4063 4.16031 -40.9345 -6.37065 -8.00623 -8.2191 -9.40112 TIMING: 4612000 CPU: 14886.8, 0.00313425/step Wall: 14886.8, 0.00313425/step, 0.337803 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4612000 4032.2130 20395.4468 14496.1998 246.5797 -203610.5865 2582.7419 0.0000 0.0000 51862.6792 -109994.7262 298.0555 -161857.4053 -109647.8182 298.0614 10.5210 37.9281 759099.8379 -7.4683 -7.4799 PRESSURE: 4612200 -251.285 -53.5517 -166.38 -53.5511 -257.853 231.087 -166.381 231.086 -329.786 GPRESSURE: 4612200 -154.68 -102.141 -205.663 -66.4917 -296.293 348.485 -129.499 189.611 -323.127 PRESSAVG: 4612200 24.3248 -24.2732 -10.777 -24.2732 -33.6511 -1.18248 -10.777 -1.18243 -22.0859 GPRESSAVG: 4612200 24.5824 -27.5164 -9.69972 -21.2303 -33.9548 -1.67137 -10.5868 0.572608 -22.3534 TIMING: 4612200 CPU: 14887.4, 0.0031385/step Wall: 14887.4, 0.0031385/step, 0.338086 hours remaining, 234.878906 MB of memory in use. ENERGY: 4612200 4058.6600 20351.6078 14424.8967 275.5467 -203138.2564 2182.6293 0.0000 0.0000 51972.9223 -109871.9937 298.6891 -161844.9159 -109499.2783 298.4480 -279.6415 -258.0334 760619.2945 -10.4707 -10.5753 LDB: ============= START OF LOAD BALANCING ============== 14899.8 LDB: ============== END OF LOAD BALANCING =============== 14899.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14899.8 LDB: ============= START OF LOAD BALANCING ============== 14900.1 LDB: Largest compute 7049 load 0.032094 is 16.4% of average load 0.195653 LDB: Average compute 0.004372 is 2.2% of average load 0.195653 LDB: TIME 14900.1 LOAD: AVG 0.195653 MAX 0.212135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.836 MB LDB: TIME 14900.1 LOAD: AVG 0.195653 MAX 0.212135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.039 MB LDB: TIME 14900.1 LOAD: AVG 0.195653 MAX 0.212135 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.039 MB LDB: ============== END OF LOAD BALANCING =============== 14900.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14900.1 PRESSURE: 4612400 -346.603 -12.4297 218.286 -12.43 -355.275 103.066 218.284 103.066 -89.0529 GPRESSURE: 4612400 -281.577 -144.687 176.876 1.05122 -381.646 34.3133 202.478 54.1304 -44.6904 PRESSAVG: 4612400 0.811988 19.6437 43.0578 19.6436 -49.3087 20.8801 43.0578 20.8801 18.939 GPRESSAVG: 4612400 0.846874 20.5207 41.5749 20.5436 -50.2752 21.3068 41.4386 19.9947 19.2897 TIMING: 4612400 CPU: 14888, 0.00318481/step Wall: 14888, 0.00318481/step, 0.342898 hours remaining, 236.675781 MB of memory in use. ENERGY: 4612400 3995.3869 20544.5433 14470.2083 241.6776 -203166.9781 2075.7500 0.0000 0.0000 51935.3311 -109904.0809 298.4731 -161839.4120 -109550.7432 298.4436 -263.6435 -235.9709 760262.2225 -9.8526 -10.0462 PRESSURE: 4612600 107.975 26.5426 18.7834 26.5426 -326.285 69.0397 18.7842 69.0403 -60.2703 GPRESSURE: 4612600 62.3682 107.073 -17.754 105.557 -167.584 48.3665 -44.8672 10.171 -103.824 PRESSAVG: 4612600 -2.46124 6.6409 -11.9244 6.64088 -21.4504 29.8616 -11.9243 29.8616 -15.0763 GPRESSAVG: 4612600 -2.57054 9.12832 -11.1839 3.93716 -21.2263 29.9185 -12.8545 30.5645 -15.4583 TIMING: 4612600 CPU: 14888.7, 0.00312737/step Wall: 14888.7, 0.00312737/step, 0.33654 hours remaining, 237.128906 MB of memory in use. ENERGY: 4612600 3964.1824 20546.2407 14442.1325 244.9911 -203747.5741 2531.5351 0.0000 0.0000 52034.3343 -109984.1581 299.0420 -162018.4924 -109622.0587 297.9065 -92.8601 -69.6797 759809.4771 -12.9960 -13.0850 PRESSURE: 4612800 -275.548 81.0684 -106.159 81.0693 -175.563 8.50415 -106.158 8.50343 -120.748 GPRESSURE: 4612800 -219.557 -4.99935 -113.137 81.7389 -130.441 1.00095 -59.1909 78.3846 -103.489 PRESSAVG: 4612800 67.2083 -6.99972 -85.2403 -6.99971 -50.127 5.80694 -85.2404 5.80693 -4.17354 GPRESSAVG: 4612800 66.3137 -9.95497 -84.8733 -6.85802 -49.4824 4.95444 -83.3393 6.13649 -3.4121 TIMING: 4612800 CPU: 14889.3, 0.00314432/step Wall: 14889.3, 0.00314432/step, 0.338189 hours remaining, 237.128906 MB of memory in use. ENERGY: 4612800 3994.6719 20559.9522 14512.2540 245.8764 -203598.0596 2512.7345 0.0000 0.0000 52094.1139 -109678.4567 299.3856 -161772.5706 -109310.5137 299.2113 -190.6200 -151.1623 762210.7208 4.3026 4.4731 PRESSURE: 4613000 -295.919 -17.7204 -229.65 -17.7198 97.9714 -5.62931 -229.651 -5.62775 102.698 GPRESSURE: 4613000 -258.4 12.1708 -169.797 -98.1028 159.387 -101.492 -254.048 118.002 102.393 PRESSAVG: 4613000 37.6631 -38.3184 0.0207348 -38.3185 -47.5075 -19.5105 0.0207356 -19.5104 22.5881 GPRESSAVG: 4613000 39.301 -39.9634 -0.259511 -36.0309 -48.1258 -17.849 -1.02815 -19.8406 21.9242 TIMING: 4613000 CPU: 14889.9, 0.00312354/step Wall: 14889.9, 0.00312354/step, 0.335781 hours remaining, 237.214844 MB of memory in use. ENERGY: 4613000 3944.8063 20641.6308 14446.8938 242.5777 -203144.9169 2249.4168 0.0000 0.0000 51846.0157 -109773.5758 297.9598 -161619.5915 -109411.8479 298.6005 -31.7499 1.1266 760890.7922 4.2479 4.3665 PRESSURE: 4613200 -54.96 41.4871 22.0918 41.4864 68.815 34.4984 22.0918 34.4977 -15.2466 GPRESSURE: 4613200 9.04296 100.661 -107.909 13.9623 122.943 56.2395 151.815 22.5394 -54.8506 PRESSAVG: 4613200 -20.7061 -21.9949 -16.2802 -21.9949 -5.15826 -13.0836 -16.2802 -13.0836 -36.0574 GPRESSAVG: 4613200 -21.8699 -18.6029 -15.6602 -23.7746 -3.96219 -13.3929 -15.9945 -12.4239 -36.1496 TIMING: 4613200 CPU: 14890.5, 0.0031418/step Wall: 14890.5, 0.0031418/step, 0.337569 hours remaining, 237.214844 MB of memory in use. ENERGY: 4613200 3942.5024 20454.6552 14397.0029 242.8874 -203604.1848 2566.4289 0.0000 0.0000 52052.2025 -109948.5054 299.1447 -162000.7080 -109590.0495 298.6528 -0.4639 25.7118 761160.0666 -20.6406 -20.6606 PRESSURE: 4613400 56.7838 -55.7661 7.74841 -55.7658 -5.99715 -7.72811 7.74892 -7.72884 282.944 GPRESSURE: 4613400 26.2976 -0.564005 -7.0559 -11.501 75.4076 12.8535 -51.8757 96.1339 319.051 PRESSAVG: 4613400 -36.6852 23.2495 45.7728 23.2494 15.7084 -0.462674 45.7727 -0.462629 21.404 GPRESSAVG: 4613400 -35.4878 22.2323 44.6696 23.1266 15.0054 -1.49972 46.8941 -1.04916 20.665 TIMING: 4613400 CPU: 14891.2, 0.00313427/step Wall: 14891.2, 0.00313427/step, 0.336586 hours remaining, 237.214844 MB of memory in use. ENERGY: 4613400 3894.6350 20438.2461 14468.4453 251.1082 -203487.0838 2432.8260 0.0000 0.0000 51960.9829 -110040.8404 298.6205 -162001.8233 -109680.7499 298.4680 111.2436 140.2522 761043.9517 0.1424 0.0608 PRESSURE: 4613600 282.969 151.297 11.2417 151.297 153.247 -173.721 11.2417 -173.722 53.106 GPRESSURE: 4613600 290.822 204.838 6.3097 191.926 198.31 -140.727 34.939 -204.182 76.7704 PRESSAVG: 4613600 14.8172 47.4954 1.81206 47.4954 -4.02719 -16.3994 1.81204 -16.3994 12.1023 GPRESSAVG: 4613600 13.7181 48.3927 1.58999 46.9545 -3.92046 -15.4714 1.14654 -16.3001 12.6731 TIMING: 4613600 CPU: 14891.8, 0.00316426/step Wall: 14891.8, 0.00316426/step, 0.339631 hours remaining, 237.214844 MB of memory in use. ENERGY: 4613600 3997.8222 20375.6410 14484.4964 242.9273 -203474.5881 2423.6415 0.0000 0.0000 51877.8382 -110072.2214 298.1426 -161950.0597 -109711.4812 298.1520 163.1075 188.6342 760320.2241 7.6308 7.4902 PRESSURE: 4613800 474.933 -67.1409 45.5703 -67.1419 -93.9302 -74.7597 45.5711 -74.7603 395.493 GPRESSURE: 4613800 541.042 -146.076 22.3534 -152.452 -103.274 -81.3146 84.9391 -108.197 418.441 PRESSAVG: 4613800 37.4479 18.1383 -53.0585 18.1383 -29.2948 16.4019 -53.0585 16.4019 0.921469 GPRESSAVG: 4613800 38.0606 17.3701 -51.9424 16.5587 -29.1473 16.5514 -54.6486 15.0707 0.789062 TIMING: 4613800 CPU: 14892.4, 0.00313228/step Wall: 14892.4, 0.00313228/step, 0.336024 hours remaining, 237.214844 MB of memory in use. ENERGY: 4613800 3904.2924 20479.2893 14487.5561 263.2804 -203367.6952 2344.4942 0.0000 0.0000 51928.6875 -109960.0954 298.4349 -161888.7829 -109590.6012 298.1952 258.8321 285.4029 760153.4382 3.0248 3.2341 PRESSURE: 4614000 89.2198 -52.1981 51.576 -52.1976 -92.4351 160.268 51.5768 160.27 450.063 GPRESSURE: 4614000 134.129 -0.732851 94.5096 6.71974 -21.3232 191.009 39.4764 117.723 422.321 PRESSAVG: 4614000 12.5602 -17.2775 32.9831 -17.2776 -34.575 -19.0517 32.9831 -19.0517 -13.609 GPRESSAVG: 4614000 10.7091 -17.6994 34.852 -15.4367 -34.175 -18.4933 33.8571 -18.9908 -12.1767 TIMING: 4614000 CPU: 14893.1, 0.00314659/step Wall: 14893.1, 0.00314659/step, 0.337384 hours remaining, 237.417969 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: 4614000 3981.9201 20329.7687 14483.9289 254.3876 -203891.3259 2846.4217 0.0000 0.0000 52164.1738 -109830.7251 299.7882 -161994.8989 -109465.4000 298.2415 148.9491 178.3756 760658.9700 -11.8746 -11.8808 PRESSURE: 4614200 40.6145 -52.3474 -60.4794 -52.3473 -160.501 -28.1981 -60.4796 -28.1986 100.227 GPRESSURE: 4614200 176.981 -63.4157 25.7369 -64.6716 -133.408 118.573 -135.471 100.624 19.1045 PRESSAVG: 4614200 -7.70322 -25.5236 -15.899 -25.5236 24.2007 14.7058 -15.899 14.7057 -8.95757 GPRESSAVG: 4614200 -5.42486 -25.1926 -18.7946 -27.0199 23.2919 14.3838 -15.7348 16.7609 -10.4686 TIMING: 4614200 CPU: 14893.7, 0.00314806/step Wall: 14893.7, 0.00314806/step, 0.337367 hours remaining, 237.417969 MB of memory in use. ENERGY: 4614200 4010.3645 20426.0506 14427.3559 241.2365 -203757.5376 2675.6916 0.0000 0.0000 52191.8477 -109784.9908 299.9473 -161976.8385 -109417.5590 298.6093 -6.5530 20.8923 760423.9995 2.5133 2.4662 PRESSURE: 4614400 -60.4723 66.5199 -231.885 66.5202 -228.453 90.7968 -231.884 90.7957 37.6893 GPRESSURE: 4614400 -25.657 114.582 -202.157 125.548 -207.283 106.244 -170.44 -3.91779 84.7235 PRESSAVG: 4614400 -9.08164 -6.14205 76.6247 -6.14214 28.8703 32.9111 76.6246 32.9111 7.66885 GPRESSAVG: 4614400 -9.16956 -5.37314 78.5754 -3.71601 29.3156 32.0993 74.7768 31.7336 7.15871 TIMING: 4614400 CPU: 14894.3, 0.00312206/step Wall: 14894.3, 0.00312206/step, 0.334408 hours remaining, 237.417969 MB of memory in use. ENERGY: 4614400 4044.8486 20469.7191 14473.1218 266.5271 -203380.3353 2415.8002 0.0000 0.0000 52135.9671 -109574.3513 299.6261 -161710.3184 -109220.3940 298.6572 -83.7453 -49.4055 759407.5678 9.1525 9.1016 PRESSURE: 4614600 -111.162 29.7328 185.055 29.7323 -349.87 81.6667 185.056 81.6669 -8.31691 GPRESSURE: 4614600 -120.844 59.9984 95.7529 -12.9229 -313.565 80.0411 205.647 116.351 21.3537 PRESSAVG: 4614600 -43.9273 -25.9692 -4.16306 -25.9693 38.4175 -8.22638 -4.16308 -8.2264 -10.3972 GPRESSAVG: 4614600 -46.1746 -25.7061 -6.84366 -27.2824 38.9075 -8.69018 -1.3493 -7.81443 -8.51963 TIMING: 4614600 CPU: 14894.9, 0.00314703/step Wall: 14894.9, 0.00314703/step, 0.336907 hours remaining, 237.417969 MB of memory in use. ENERGY: 4614600 4037.0440 20658.8837 14574.6403 241.0013 -202967.6675 2178.8897 0.0000 0.0000 51839.1310 -109438.0775 297.9202 -161277.2085 -109082.9093 299.2086 -156.4496 -137.6850 760697.8420 -5.3024 -5.2622 PRESSURE: 4614800 53.8183 65.6955 112.07 65.6962 141.954 25.3683 112.07 25.3687 -145.326 GPRESSURE: 4614800 130.199 92.2205 130.962 52.4135 128.942 -30.3276 47.8113 59.1829 -124.742 PRESSAVG: 4614800 2.3756 13.7463 29.6434 13.7462 -17.1961 -23.0159 29.6434 -23.016 -9.0543 GPRESSAVG: 4614800 4.29003 11.9398 31.5315 15.8293 -17.6525 -23.7247 27.6008 -23.7712 -9.75413 TIMING: 4614800 CPU: 14895.6, 0.00311686/step Wall: 14895.6, 0.00311686/step, 0.333504 hours remaining, 237.417969 MB of memory in use. ENERGY: 4614800 4056.7420 20353.2489 14473.1732 253.4262 -203353.2773 2769.2672 0.0000 0.0000 52100.2794 -109347.1405 299.4210 -161447.4198 -108991.1986 299.5237 16.8153 44.7997 761420.7218 -7.9583 -7.7056 PRESSURE: 4615000 71.8265 -75.0609 31.9444 -75.0606 -66.9174 -73.8491 31.9446 -73.8493 293.667 GPRESSURE: 4615000 145.049 -130.467 51.0505 -10.0557 -11.3659 -61.9799 55.2089 -28.4612 274.26 PRESSAVG: 4615000 3.23436 -39.4579 -9.5457 -39.4579 -7.17216 -23.4513 -9.54574 -23.4513 3.31677 GPRESSAVG: 4615000 2.97177 -37.1089 -9.47291 -40.2789 -5.82379 -21.3816 -9.63091 -23.2392 1.93738 TIMING: 4615000 CPU: 14896.2, 0.00311064/step Wall: 14896.2, 0.00311064/step, 0.332665 hours remaining, 237.417969 MB of memory in use. ENERGY: 4615000 4009.4419 20427.4043 14590.3451 247.5718 -203768.5814 2818.5236 0.0000 0.0000 52376.2851 -109299.0096 301.0072 -161675.2946 -108933.7031 299.6044 99.5255 135.9814 759310.5843 -0.2070 -0.3049 PRESSURE: 4615200 -358.896 -58.886 -54.869 -58.8862 -288.331 -145.896 -54.8686 -145.895 -104.654 GPRESSURE: 4615200 -343.253 -71.9548 -118.833 -36.6412 -219.502 -127.987 -35.3135 -77.9017 -85.8945 PRESSAVG: 4615200 53.5554 -20.2435 -11.6561 -20.2435 -14.8036 1.28847 -11.6561 1.28843 19.9175 GPRESSAVG: 4615200 53.9897 -22.5576 -12.1769 -22.9053 -16.6724 0.504142 -9.5428 0.629389 21.2256 TIMING: 4615200 CPU: 14896.8, 0.00312969/step Wall: 14896.8, 0.00312969/step, 0.334529 hours remaining, 237.417969 MB of memory in use. ENERGY: 4615200 4109.8992 20596.6239 14558.8942 255.0601 -203263.9554 2486.1090 0.0000 0.0000 52126.6479 -109130.7211 299.5726 -161257.3690 -108764.9872 299.9773 -250.6270 -216.2163 762127.6505 19.5564 19.5143 PRESSURE: 4615400 -205.443 173.737 189.002 173.737 -68.5166 167.073 189.003 167.074 -31.7293 GPRESSURE: 4615400 -150.064 158.946 138.331 179.497 -43.0629 158.431 104.945 106.548 -1.51501 PRESSAVG: 4615400 -42.2044 22.6678 20.3397 22.6678 19.9545 8.42728 20.3398 8.42721 -15.5226 GPRESSAVG: 4615400 -41.1718 23.4629 19.3949 23.8061 19.6606 8.87407 18.651 6.89328 -15.9629 TIMING: 4615400 CPU: 14897.4, 0.00313633/step Wall: 14897.4, 0.00313633/step, 0.335065 hours remaining, 237.417969 MB of memory in use. ENERGY: 4615400 4107.1911 20629.5122 14530.3421 251.3324 -203243.3757 2475.8341 0.0000 0.0000 52018.2263 -109230.9376 298.9495 -161249.1638 -108863.8722 300.0165 -101.8962 -64.8805 762128.6516 -12.5908 -12.4914 PRESSURE: 4615600 -98.0645 116.938 46.9741 116.937 99.7642 44.0068 46.9745 44.0071 175.012 GPRESSURE: 4615600 -111.85 13.9573 93.5428 132.28 239.842 -36.0378 23.8639 168.616 134.7 PRESSAVG: 4615600 -16.7808 -2.95597 31.831 -2.95598 -20.3763 11.0607 31.831 11.0608 -9.62403 GPRESSAVG: 4615600 -17.8754 -3.01956 33.98 -1.83365 -20.7882 9.79351 32.353 12.8335 -7.99472 TIMING: 4615600 CPU: 14898.1, 0.00313465/step Wall: 14898.1, 0.00313465/step, 0.334711 hours remaining, 237.417969 MB of memory in use. ENERGY: 4615600 3950.1392 20613.3269 14462.6554 244.9902 -203075.0691 2404.7536 0.0000 0.0000 52106.8140 -109292.3898 299.4586 -161399.2038 -108923.9704 299.7771 58.9040 87.5641 762828.9749 -15.5937 -15.5528 PRESSURE: 4615800 319.943 -143.579 19.1984 -143.58 -154.356 54.1584 19.1992 54.159 63.8049 GPRESSURE: 4615800 295.965 -68.9613 22.6146 -170.455 -76.966 3.75952 66.6412 -53.8795 85.636 PRESSAVG: 4615800 -9.94381 13.7378 0.197819 13.7378 -3.78239 -27.4987 0.197723 -27.4987 -1.10169 GPRESSAVG: 4615800 -10.2088 16.4615 -1.32891 13.6636 -1.39872 -27.5491 2.68724 -27.8642 -3.03039 TIMING: 4615800 CPU: 14898.7, 0.00312383/step Wall: 14898.7, 0.00312383/step, 0.333382 hours remaining, 237.417969 MB of memory in use. ENERGY: 4615800 3980.3143 20594.6988 14539.5407 247.6290 -202950.3374 2387.7647 0.0000 0.0000 51983.4672 -109216.9229 298.7497 -161200.3900 -108860.6512 299.5066 76.4639 101.5450 762110.3518 -4.9426 -4.8793 PRESSURE: 4616000 -54.9769 -345.65 -6.45004 -345.65 -280.008 -189.385 -6.44993 -189.386 6.82049 GPRESSURE: 4616000 -57.2358 -326.281 -15.5506 -154.208 -224.931 -29.2604 -6.96085 -105.807 40.1069 PRESSAVG: 4616000 19.3288 -38.3808 -26.4417 -38.3807 -37.8746 33.0465 -26.4417 33.0466 7.46327 GPRESSAVG: 4616000 19.8456 -39.6584 -26.7672 -39.7581 -39.1974 35.2564 -28.1677 33.1113 8.03155 TIMING: 4616000 CPU: 14899.3, 0.00313862/step Wall: 14899.3, 0.00313862/step, 0.334786 hours remaining, 237.417969 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: 4616000 4064.0952 20593.4449 14508.6299 263.3025 -203171.2814 2394.9891 0.0000 0.0000 52124.9900 -109221.8298 299.5630 -161346.8198 -108857.2464 299.7008 -109.3882 -80.6867 761527.8287 -3.6942 -3.7734 PRESSURE: 4616200 -150.463 -53.6012 -37.0082 -53.6005 -384.351 -120.023 -37.0088 -120.022 145.601 GPRESSURE: 4616200 -79.6571 19.7284 -85.3473 -112.154 -285.462 -155.284 -53.7115 -93.0878 58.1211 PRESSAVG: 4616200 -42.2841 -33.1343 -0.971879 -33.1344 -4.24291 30.5493 -0.971899 30.5492 -6.61978 GPRESSAVG: 4616200 -41.2834 -31.7114 1.7147 -32.4008 -4.88057 31.3984 -0.282538 30.5241 -6.56028 TIMING: 4616200 CPU: 14899.9, 0.00310886/step Wall: 14899.9, 0.00310886/step, 0.331439 hours remaining, 237.417969 MB of memory in use. ENERGY: 4616200 4090.5146 20627.5659 14546.6421 247.7452 -203347.8796 2461.3873 0.0000 0.0000 52259.1884 -109114.8360 300.3343 -161374.0244 -108737.3527 300.0355 -129.7376 -102.3326 760692.5870 -17.7156 -17.5747 LDB: ============= START OF LOAD BALANCING ============== 14912.4 LDB: ============== END OF LOAD BALANCING =============== 14912.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14912.4 LDB: ============= START OF LOAD BALANCING ============== 14912.7 LDB: Largest compute 7024 load 0.031915 is 16.3% of average load 0.195572 LDB: Average compute 0.004379 is 2.2% of average load 0.195572 LDB: TIME 14912.7 LOAD: AVG 0.195572 MAX 0.213632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.715 MB LDB: TIME 14912.7 LOAD: AVG 0.195572 MAX 0.213632 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.75 MB LDB: TIME 14912.7 LOAD: AVG 0.195572 MAX 0.213632 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.75 MB LDB: ============== END OF LOAD BALANCING =============== 14912.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14912.7 PRESSURE: 4616400 83.0851 -181.096 -141.641 -181.096 -78.1354 191.273 -141.642 191.272 -439.523 GPRESSURE: 4616400 131.485 -117.456 11.3858 -211.184 -76.7796 265.731 -252.167 223.769 -392.859 PRESSAVG: 4616400 29.0096 -23.5546 26.8225 -23.5545 -3.1023 41.6157 26.8226 41.6157 15.7829 GPRESSAVG: 4616400 27.4259 -26.3229 24.3488 -21.0216 -2.27662 41.1307 25.6665 42.324 16.3468 TIMING: 4616400 CPU: 14900.6, 0.00319023/step Wall: 14900.6, 0.00319023/step, 0.339937 hours remaining, 236.351562 MB of memory in use. ENERGY: 4616400 4023.0846 20585.5605 14531.0308 253.9188 -203361.9718 2653.2147 0.0000 0.0000 52088.3180 -109226.8443 299.3523 -161315.1623 -108861.7010 299.8698 -144.8579 -112.7180 761561.4627 13.8967 13.8320 PRESSURE: 4616600 -52.536 -151.72 -183.854 -151.72 -467.362 48.1192 -183.854 48.1191 -371.552 GPRESSURE: 4616600 -32.3706 -146.358 -131.378 -133.846 -391.117 0.919296 -20.8207 77.0809 -343.299 PRESSAVG: 4616600 -9.2382 14.1763 -50.5106 14.1764 2.75106 -11.2796 -50.5107 -11.2796 -9.2814 GPRESSAVG: 4616600 -8.92233 14.5765 -49.7914 13.1014 2.94521 -14.1509 -49.4202 -10.1839 -10.2436 TIMING: 4616600 CPU: 14901.2, 0.00311326/step Wall: 14901.2, 0.00311326/step, 0.331562 hours remaining, 236.351562 MB of memory in use. ENERGY: 4616600 4083.4918 20551.0351 14518.1335 254.5961 -202856.4670 2286.8349 0.0000 0.0000 52100.1181 -109062.2576 299.4201 -161162.3757 -108707.3259 299.8212 -297.1500 -255.5955 763614.4023 -5.2562 -5.4069 PRESSURE: 4616800 -322.622 279.144 -14.2107 279.144 -38.3684 60.5878 -14.2116 60.5875 -411.933 GPRESSURE: 4616800 -291.289 275.837 -42.5967 282.575 -77.1297 151.139 25.1798 -11.8235 -305.673 PRESSAVG: 4616800 9.03412 -51.5411 -14.7056 -51.5411 4.68705 15.8528 -14.7056 15.8529 14.4891 GPRESSAVG: 4616800 10.342 -50.3899 -14.7564 -52.916 4.48717 17.2836 -14.5619 14.8816 13.9949 TIMING: 4616800 CPU: 14901.8, 0.0030936/step Wall: 14901.8, 0.0030936/step, 0.329296 hours remaining, 236.351562 MB of memory in use. ENERGY: 4616800 3909.6100 20642.4926 14500.4418 264.3301 -202839.9432 2324.1660 0.0000 0.0000 52103.2581 -109095.6446 299.4381 -161198.9027 -108736.8906 300.0670 -257.6411 -224.6974 764754.9838 9.4034 9.6080 PRESSURE: 4617000 6.39778 -41.7293 107.062 -41.7288 -7.74372 -35.4478 107.062 -35.4463 135.897 GPRESSURE: 4617000 94.6858 -120.334 71.7846 -64.8588 32.1117 -6.84814 14.5689 72.2885 91.4341 PRESSAVG: 4617000 34.0746 11.7551 -10.1325 11.7551 -19.4409 -20.2905 -10.1325 -20.2906 -6.61046 GPRESSAVG: 4617000 32.999 11.9383 -9.98126 13.6223 -19.7689 -19.7084 -11.24 -22.7205 -5.14544 TIMING: 4617000 CPU: 14902.4, 0.00310955/step Wall: 14902.4, 0.00310955/step, 0.330822 hours remaining, 236.351562 MB of memory in use. ENERGY: 4617000 4049.0102 20705.6412 14443.1746 241.9422 -202947.4331 2312.7935 0.0000 0.0000 52138.5687 -109056.3026 299.6411 -161194.8713 -108683.4007 300.0357 44.8504 72.7439 760623.8202 2.6744 2.6949 PRESSURE: 4617200 -279.918 -57.3855 -1.33582 -57.3843 45.2616 27.0647 -1.33546 27.0633 -313.26 GPRESSURE: 4617200 -224.309 -222.432 -8.74191 -4.33179 -12.1831 18.7184 85.0252 78.2257 -220.663 PRESSAVG: 4617200 -59.0822 -15.5096 -3.88575 -15.5096 64.9963 13.8064 -3.88569 13.8064 -7.56499 GPRESSAVG: 4617200 -58.4394 -16.7669 -1.72079 -16.8267 65.047 12.4855 -3.9458 14.9262 -8.08907 TIMING: 4617200 CPU: 14903.1, 0.00310202/step Wall: 14903.1, 0.00310202/step, 0.329848 hours remaining, 236.351562 MB of memory in use. ENERGY: 4617200 3974.6955 20528.1674 14531.0698 233.4283 -203060.7263 2389.9019 0.0000 0.0000 52280.0825 -109123.3809 300.4544 -161403.4634 -108750.5277 299.7753 -182.6390 -152.3853 760421.3093 -0.5503 -0.4938 PRESSURE: 4617400 12.6488 110.032 56.1358 110.032 36.0755 74.3135 56.1363 74.3136 310.371 GPRESSURE: 4617400 -27.6712 54.6229 29.7909 140.346 199.413 -95.7826 -58.5399 -68.456 283.143 PRESSAVG: 4617400 10.1711 33.0872 -9.25476 33.0872 -33.7207 -32.4066 -9.25481 -32.4066 -2.10288 GPRESSAVG: 4617400 9.53396 33.8626 -11.3058 33.1963 -33.6884 -33.0529 -8.31912 -32.9142 -1.35149 TIMING: 4617400 CPU: 14903.7, 0.00311801/step Wall: 14903.7, 0.00311801/step, 0.331375 hours remaining, 236.351562 MB of memory in use. ENERGY: 4617400 4035.5067 20632.6135 14478.1336 254.4263 -202998.2665 2417.3785 0.0000 0.0000 52088.5427 -109091.6652 299.3536 -161180.2079 -108732.9865 299.9595 119.6983 151.6284 761755.8258 -8.5508 -8.5020 PRESSURE: 4617600 180.118 -73.6951 -242.18 -73.6959 -291.897 -88.8186 -242.18 -88.8185 50.9646 GPRESSURE: 4617600 159.897 -35.5008 -215.671 -28.2354 -205.555 -148.602 -188.59 -71.4393 71.6769 PRESSAVG: 4617600 -44.4042 0.384996 -12.8892 0.385015 6.68247 -60.874 -12.8892 -60.874 -0.97149 GPRESSAVG: 4617600 -44.2046 1.21086 -12.1445 1.06581 6.95109 -62.0542 -15.9727 -61.4596 -1.52866 TIMING: 4617600 CPU: 14904.3, 0.00311241/step Wall: 14904.3, 0.00311241/step, 0.330607 hours remaining, 236.351562 MB of memory in use. ENERGY: 4617600 4030.0307 20557.7575 14537.0078 243.2250 -202904.8034 2401.9349 0.0000 0.0000 52134.0579 -109000.7896 299.6151 -161134.8475 -108631.7745 299.8055 -20.2713 8.6728 761433.3773 -12.8978 -12.9274 PRESSURE: 4617800 -45.954 151.136 67.771 151.136 165.065 -73.0365 67.7719 -73.0369 51.1834 GPRESSURE: 4617800 49.6303 52.1482 121.076 40.3304 146.611 -8.95455 133.423 12.0224 50.5364 PRESSAVG: 4617800 11.9527 -21.4599 -45.5997 -21.4599 -15.1281 -14.5008 -45.5998 -14.5007 12.6883 GPRESSAVG: 4617800 12.0201 -20.8424 -45.3238 -23.9895 -15.5325 -12.6379 -42.5705 -14.024 13.332 TIMING: 4617800 CPU: 14904.9, 0.00311928/step Wall: 14904.9, 0.00311928/step, 0.331164 hours remaining, 236.351562 MB of memory in use. ENERGY: 4617800 3975.2091 20663.2861 14499.1974 228.1369 -203577.8051 2735.5367 0.0000 0.0000 52406.7794 -109069.6595 301.1825 -161476.4389 -108701.8900 300.3300 56.7647 82.2592 759368.6002 3.1710 3.2732 PRESSURE: 4618000 180.716 118.19 33.7206 118.188 70.062 83.2775 33.7206 83.2775 75.4934 GPRESSURE: 4618000 189.314 200.814 36.1292 183.743 96.4729 54.7461 52.0229 121.915 109.906 PRESSAVG: 4618000 80.1339 24.0842 -24.1692 24.0842 -89.8932 -7.59364 -24.1691 -7.59363 -24.8241 GPRESSAVG: 4618000 79.7777 23.8607 -25.8253 25.6634 -89.2992 -7.90977 -25.4831 -6.26157 -25.6291 TIMING: 4618000 CPU: 14905.6, 0.00315778/step Wall: 14905.6, 0.00315778/step, 0.335076 hours remaining, 236.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4618000 3989.2254 20595.7977 14520.8691 245.1003 -203296.9575 2547.6921 0.0000 0.0000 52492.4866 -108905.7863 301.6750 -161398.2730 -108550.0929 300.7507 108.7572 131.8978 759649.0285 -11.5278 -11.7169 PRESSURE: 4618200 -21.6128 -69.7945 104.619 -69.7948 -147.319 -280.819 104.618 -280.82 -266.865 GPRESSURE: 4618200 -1.85504 -105.237 26.4083 -59.2183 -131.671 -234.751 124.526 -185.764 -197.309 PRESSAVG: 4618200 -1.53406 28.743 9.08717 28.743 -32.7859 10.6154 9.08716 10.6154 -2.2373 GPRESSAVG: 4618200 -0.364506 28.953 10.255 29.8981 -32.7311 10.1609 9.29232 8.5788 -2.8205 TIMING: 4618200 CPU: 14906.2, 0.00313826/step Wall: 14906.2, 0.00313826/step, 0.33283 hours remaining, 236.351562 MB of memory in use. ENERGY: 4618200 4008.8860 20544.3818 14469.8302 233.7658 -203051.4496 2261.9359 0.0000 0.0000 52483.8490 -109048.8010 301.6254 -161532.6499 -108689.7511 300.4496 -145.2657 -110.2784 762312.9866 -12.1858 -11.9720 PRESSURE: 4618400 -58.7779 28.0315 5.19877 28.0309 48.3578 248.999 5.1988 249 -141.191 GPRESSURE: 4618400 23.4477 26.1916 122.511 43.0431 28.08 279.584 -61.023 184.651 -101.734 PRESSAVG: 4618400 49.2373 -27.6941 19.4456 -27.6941 -80.3499 6.19654 19.4456 6.19649 15.8246 GPRESSAVG: 4618400 50.0263 -27.0807 20.5312 -29.777 -81.1431 8.41216 20.8186 6.01041 16.0859 TIMING: 4618400 CPU: 14906.8, 0.00314182/step Wall: 14906.8, 0.00314182/step, 0.333033 hours remaining, 236.351562 MB of memory in use. ENERGY: 4618400 3980.9968 20436.8961 14533.9681 233.0986 -203394.0651 2601.9169 0.0000 0.0000 52207.9494 -109399.2393 300.0398 -161607.1887 -109034.2076 299.8186 -50.5370 -16.7353 761186.2494 -5.0960 -5.0103 PRESSURE: 4618600 117.854 -43.4078 236.723 -43.4076 203.755 137.265 236.722 137.265 325.224 GPRESSURE: 4618600 189.072 -31.1802 214.013 -58.782 166.395 111.486 130.527 66.976 354.076 PRESSAVG: 4618600 16.3383 -5.21519 30.9784 -5.21516 20.4045 40.5816 30.9784 40.5816 -5.88207 GPRESSAVG: 4618600 15.3196 -6.08348 28.3949 -2.78302 20.4302 38.8339 29.7536 42.2533 -5.9812 TIMING: 4618600 CPU: 14907.4, 0.00312515/step Wall: 14907.4, 0.00312515/step, 0.331092 hours remaining, 236.351562 MB of memory in use. ENERGY: 4618600 3996.8702 20573.7651 14438.6492 251.4449 -203107.7787 2518.9866 0.0000 0.0000 51990.8838 -109337.1789 298.7923 -161328.0627 -108980.2627 299.8395 215.6108 236.5144 760667.8715 10.2869 9.9229 PRESSURE: 4618800 -61.7344 -141.537 90.4747 -141.537 205.493 -108.41 90.4752 -108.41 36.3211 GPRESSURE: 4618800 -40.6636 -4.35506 165.582 -5.9183 242.65 -88.1553 -23.5096 -30.982 69.1577 PRESSAVG: 4618800 0.249395 -24.4633 -10.7657 -24.4633 16.4043 -23.1201 -10.7657 -23.1202 3.58236 GPRESSAVG: 4618800 0.227324 -24.3673 -8.49171 -24.4803 15.9084 -23.1213 -10.2441 -24.3978 4.30901 TIMING: 4618800 CPU: 14908.1, 0.0031302/step Wall: 14908.1, 0.0031302/step, 0.331453 hours remaining, 236.351562 MB of memory in use. ENERGY: 4618800 4076.3842 20540.7030 14471.9701 242.2811 -203535.9735 2746.4572 0.0000 0.0000 51952.6031 -109505.5748 298.5723 -161458.1779 -109137.5733 299.4796 60.0265 90.3812 760345.0109 6.7453 6.8149 PRESSURE: 4619000 107.266 53.3028 -380.904 53.3021 -249.078 -130.243 -380.903 -130.245 31.5947 GPRESSURE: 4619000 24.7311 142.337 -480.51 76.6618 -112.572 -41.9261 -252.691 -21.1826 65.0846 PRESSAVG: 4619000 19.3477 -68.2467 27.2552 -68.2467 4.44762 53.249 27.2552 53.2489 21.543 GPRESSAVG: 4619000 18.5394 -68.0958 25.0228 -68.1917 5.96423 54.6705 27.1341 53.0613 20.9205 TIMING: 4619000 CPU: 14908.7, 0.00310621/step Wall: 14908.7, 0.00310621/step, 0.328741 hours remaining, 236.351562 MB of memory in use. ENERGY: 4619000 4041.4290 20335.7636 14473.1107 260.6192 -203542.4806 2789.7117 0.0000 0.0000 52103.4935 -109538.3529 299.4395 -161641.8465 -109173.2257 299.0896 -36.7392 -7.5854 763281.8821 15.1128 15.1414 PRESSURE: 4619200 -252.097 -74.4378 -162.523 -74.4378 -149.737 286.022 -162.523 286.024 -112.192 GPRESSURE: 4619200 -163.476 -88.5639 -50.6724 14.9239 -149.648 223.521 -74.2557 347.078 -104.585 PRESSAVG: 4619200 29.3963 -42.7365 -20.32 -42.7364 -37.0614 52.2958 -20.32 52.2958 -24.3076 GPRESSAVG: 4619200 29.0735 -42.2979 -20.4292 -42.573 -38.0462 50.5662 -17.8205 53.3853 -23.3441 TIMING: 4619200 CPU: 14909.3, 0.00313279/step Wall: 14909.3, 0.00313279/step, 0.331379 hours remaining, 236.351562 MB of memory in use. ENERGY: 4619200 3979.6053 20490.5635 14497.9420 256.2065 -202654.6631 2156.6857 0.0000 0.0000 51899.3472 -109374.3129 298.2663 -161273.6601 -109017.3301 299.2592 -171.3421 -139.2361 762886.2292 -10.6575 -10.7723 PRESSURE: 4619400 33.7972 -138.669 -67.0972 -138.669 -36.7717 -21.6627 -67.0983 -21.6632 -150.143 GPRESSURE: 4619400 73.422 -91.9445 -19.6453 -190.551 -15.7709 -22.1811 -113.147 17.7493 -121.184 PRESSAVG: 4619400 88.88 -16.4282 33.0316 -16.4282 -40.0723 -7.92891 33.0316 -7.92887 -9.998 GPRESSAVG: 4619400 89.5591 -17.9466 35.9621 -18.4648 -41.1977 -6.93368 28.1668 -10.1808 -10.469 TIMING: 4619400 CPU: 14909.9, 0.00311808/step Wall: 14909.9, 0.00311808/step, 0.32965 hours remaining, 236.351562 MB of memory in use. ENERGY: 4619400 3975.5565 20414.5690 14470.0943 249.5103 -203520.2311 2698.5042 0.0000 0.0000 52072.8721 -109639.1247 299.2635 -161711.9968 -109264.9345 299.0502 -51.0391 -21.1775 762456.5831 12.9366 12.6308 PRESSURE: 4619600 -160.434 -82.6661 -81.4368 -82.6655 -145.854 105.967 -81.4361 105.967 -289.836 GPRESSURE: 4619600 -113.869 -14.0478 -64.3902 -197.519 -78.8952 52.9933 14.1281 86.0003 -289.688 PRESSAVG: 4619600 0.797228 -3.68775 54.3174 -3.68772 -27.9764 24.5155 54.3175 24.5154 -5.51605 GPRESSAVG: 4619600 0.895458 -1.06169 52.5448 -3.7008 -27.5709 23.4234 57.6914 26.366 -6.17744 TIMING: 4619600 CPU: 14910.6, 0.00311891/step Wall: 14910.6, 0.00311891/step, 0.329565 hours remaining, 236.351562 MB of memory in use. ENERGY: 4619600 4042.0475 20664.6517 14521.7132 239.3981 -203052.3581 2415.3835 0.0000 0.0000 51695.8489 -109473.3152 297.0968 -161169.1641 -109111.0461 298.5979 -198.7082 -160.8175 762054.1734 -10.8984 -10.9509 PRESSURE: 4619800 100.641 -20.8647 -29.3033 -20.8634 73.7982 37.1649 -29.3029 37.1647 195.844 GPRESSURE: 4619800 94.1963 -93.4581 -15.5263 -2.86235 145.891 82.4647 46.5324 -8.73956 198.345 PRESSAVG: 4619800 57.2637 -15.4541 -7.67734 -15.4541 -40.6525 -13.3966 -7.6773 -13.3967 -1.50454 GPRESSAVG: 4619800 57.1304 -17.178 -8.13754 -15.4881 -39.9271 -12.707 -8.92978 -13.4745 -2.30891 TIMING: 4619800 CPU: 14911.2, 0.00313141/step Wall: 14911.2, 0.00313141/step, 0.330711 hours remaining, 236.351562 MB of memory in use. ENERGY: 4619800 3924.1854 20368.2695 14483.8164 237.1191 -203681.3428 2790.6926 0.0000 0.0000 52207.2654 -109669.9943 300.0359 -161877.2597 -109299.4629 298.6445 123.4277 146.1443 762492.0509 5.0356 4.9648 PRESSURE: 4620000 -258.141 46.6966 -23.4983 46.6971 -367.391 -82.7572 -23.4976 -82.7569 109.749 GPRESSURE: 4620000 -162.245 73.6326 -5.84295 -51.8525 -407.189 -65.5711 -43.582 -16.3175 144.517 PRESSAVG: 4620000 -8.2372 -45.4898 -44.8064 -45.4898 1.30546 29.0093 -44.8064 29.0094 -15.5243 GPRESSAVG: 4620000 -8.11896 -45.0018 -43.3346 -45.5422 -0.029462 27.6682 -45.9725 26.6389 -14.4908 TIMING: 4620000 CPU: 14911.8, 0.00312593/step Wall: 14911.8, 0.00312593/step, 0.329959 hours remaining, 236.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4620000 3917.7988 20437.1442 14507.7718 242.9658 -203211.9023 2649.4450 0.0000 0.0000 52057.6097 -109399.1670 299.1758 -161456.7767 -109042.4905 298.6863 -171.9279 -141.6391 763304.9347 -7.4854 -7.5464 PRESSURE: 4620200 367.466 -205.541 -252.792 -205.541 -250.35 170.099 -252.792 170.099 -192.68 GPRESSURE: 4620200 284.484 -162.31 -203.59 -83.5986 -113.033 41.2962 -181.479 169.986 -161.864 PRESSAVG: 4620200 -6.37032 -33.7738 -35.1718 -33.7738 -11.2698 -48.8316 -35.1718 -48.8316 -7.91886 GPRESSAVG: 4620200 -6.52734 -34.1473 -37.0155 -32.5702 -10.9936 -49.4968 -32.6582 -46.9829 -7.63597 TIMING: 4620200 CPU: 14912.4, 0.00314347/step Wall: 14912.4, 0.00314347/step, 0.331636 hours remaining, 236.351562 MB of memory in use. ENERGY: 4620200 4004.2828 20429.9052 14470.2123 262.0111 -203140.5976 2619.2954 0.0000 0.0000 52017.0505 -109337.8404 298.9427 -161354.8909 -108976.7527 298.7753 -25.1881 3.1953 764096.2694 -8.5197 -8.3856 LDB: ============= START OF LOAD BALANCING ============== 14924.9 LDB: ============== END OF LOAD BALANCING =============== 14924.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14924.9 LDB: ============= START OF LOAD BALANCING ============== 14925.2 LDB: Largest compute 7073 load 0.031640 is 16.2% of average load 0.195502 LDB: Average compute 0.004388 is 2.2% of average load 0.195502 LDB: TIME 14925.2 LOAD: AVG 0.195502 MAX 0.213727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.594 MB LDB: TIME 14925.2 LOAD: AVG 0.195502 MAX 0.213727 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.797 MB LDB: TIME 14925.2 LOAD: AVG 0.195502 MAX 0.213727 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.797 MB LDB: ============== END OF LOAD BALANCING =============== 14925.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14925.2 PRESSURE: 4620400 -85.5686 -11.0309 -86.5677 -11.0308 -244.317 191.606 -86.5683 191.606 -481.194 GPRESSURE: 4620400 -52.4455 -25.1668 -129.497 -90.3446 -211.067 175.296 -167.166 118.387 -462.264 PRESSAVG: 4620400 49.7782 -45.4456 -46.0262 -45.4456 -54.2656 37.419 -46.0262 37.419 -0.206056 GPRESSAVG: 4620400 49.9559 -44.6776 -44.7443 -46.1949 -53.6544 37.5274 -49.0026 36.8793 -1.06526 TIMING: 4620400 CPU: 14913.1, 0.00319203/step Wall: 14913.1, 0.00319203/step, 0.336581 hours remaining, 234.882812 MB of memory in use. ENERGY: 4620400 4078.5016 20398.8992 14485.3752 246.9516 -203254.8854 2441.9913 0.0000 0.0000 52202.9515 -109400.2149 300.0111 -161603.1665 -109040.6161 299.2569 -270.3598 -241.9253 761779.9388 -1.5645 -1.5879 PRESSURE: 4620600 -195.178 -200.578 60.6001 -200.578 -183.424 195.912 60.6001 195.912 -237.908 GPRESSURE: 4620600 -175.552 -224.236 4.55715 -46.0258 -183.447 192.77 106.075 175.685 -188.432 PRESSAVG: 4620600 59.3294 -76.6767 -6.23577 -76.6767 -93.5558 -21.2546 -6.2358 -21.2546 -3.13728 GPRESSAVG: 4620600 59.0009 -76.1412 -5.31655 -77.2724 -94.5177 -20.4013 -6.53534 -22.4171 -2.03645 TIMING: 4620600 CPU: 14913.7, 0.00313998/step Wall: 14913.7, 0.00313998/step, 0.330919 hours remaining, 234.882812 MB of memory in use. ENERGY: 4620600 4020.9408 20553.6684 14544.6683 254.1536 -203030.8980 2381.3429 0.0000 0.0000 51970.1102 -109306.0138 298.6729 -161276.1240 -108943.1728 299.1949 -205.5031 -182.4767 761789.2338 -12.4546 -12.5177 PRESSURE: 4620800 -82.6158 50.2845 67.3089 50.2849 -82.2609 -314.266 67.3082 -314.267 86.173 GPRESSURE: 4620800 8.2014 95.3647 83.9147 61.5772 -71.9738 -364.085 31.1722 -289.745 102.814 PRESSAVG: 4620800 11.4787 -52.9042 31.7738 -52.9043 -32.7249 -4.62517 31.7738 -4.62517 26.5374 GPRESSAVG: 4620800 11.5475 -51.5406 30.6814 -52.4132 -32.0669 -4.50921 32.2976 -2.75801 26.1622 TIMING: 4620800 CPU: 14914.3, 0.00313137/step Wall: 14914.3, 0.00313137/step, 0.329838 hours remaining, 234.882812 MB of memory in use. ENERGY: 4620800 3971.7487 20431.0028 14515.9748 245.6167 -203458.0899 2789.1302 0.0000 0.0000 52108.1260 -109396.4908 299.4661 -161504.6168 -109043.0687 299.3660 -26.2346 13.0139 761763.8545 1.7638 1.8809 PRESSURE: 4621000 54.1195 106.88 88.8745 106.88 -180.394 -136.461 88.875 -136.461 -13.6089 GPRESSURE: 4621000 93.9836 97.0137 56.6835 109.722 -199.228 -195.639 67.9393 -82.4362 52.8031 PRESSAVG: 4621000 72.2343 -34.6936 25.119 -34.6936 17.2116 20.6569 25.119 20.6568 -24.3107 GPRESSAVG: 4621000 73.3619 -36.0985 25.8933 -33.9393 17.6642 20.2738 24.205 20.8077 -26.2548 TIMING: 4621000 CPU: 14915, 0.00311544/step Wall: 14915, 0.00311544/step, 0.327987 hours remaining, 235.085938 MB of memory in use. ENERGY: 4621000 3977.9339 20514.2184 14530.5783 244.5032 -203330.2464 2708.5156 0.0000 0.0000 52044.0423 -109310.4547 299.0978 -161354.4971 -108952.4340 299.3145 -46.6279 -17.4803 762689.0991 21.7117 21.5905 PRESSURE: 4621200 -41.7241 82.2094 -16.1486 82.21 -259.368 161.126 -16.1485 161.125 86.9644 GPRESSURE: 4621200 -13.8977 58.2112 -19.3142 67.2007 -127.24 160.634 -51.7397 193.465 6.96442 PRESSAVG: 4621200 -12.5987 -38.1934 -18.3166 -38.1934 5.86408 28.394 -18.3165 28.3941 -15.3496 GPRESSAVG: 4621200 -13.029 -36.8887 -19.21 -38.5969 4.82241 27.6123 -16.368 29.11 -14.1809 TIMING: 4621200 CPU: 14915.6, 0.00310768/step Wall: 14915.6, 0.00310768/step, 0.326997 hours remaining, 235.085938 MB of memory in use. ENERGY: 4621200 3897.9005 20575.1403 14515.9397 219.0036 -203150.3608 2498.3499 0.0000 0.0000 52205.7064 -109238.3205 300.0269 -161444.0269 -108878.2576 299.0999 -71.3757 -44.7246 762719.2247 -7.3614 -7.4625 PRESSURE: 4621400 129.633 -225.772 56.1856 -225.772 138.729 -71.6393 56.186 -71.6403 -11.7698 GPRESSURE: 4621400 66.8028 -250.437 58.3448 -202.548 246.996 -97.6061 53.3496 -11.1268 33.8242 PRESSAVG: 4621400 -59.5523 12.3076 13.0221 12.3076 36.9452 38.5821 13.0222 38.5821 -9.27901 GPRESSAVG: 4621400 -59.5409 10.719 14.6867 12.368 36.0394 38.6521 11.6061 39.5565 -8.26286 TIMING: 4621400 CPU: 14916.2, 0.00310988/step Wall: 14916.2, 0.00310988/step, 0.327056 hours remaining, 235.085938 MB of memory in use. ENERGY: 4621400 4007.5458 20633.4178 14486.0661 241.3624 -203632.9369 2719.4389 0.0000 0.0000 52388.6034 -109156.5025 301.0780 -161545.1059 -108796.8674 300.0753 85.5309 115.8745 762154.0014 -10.6287 -10.5881 PRESSURE: 4621600 -70.4635 52.4847 -148.824 52.4843 -68.912 59.9199 -148.824 59.9206 -53.2044 GPRESSURE: 4621600 -89.4403 32.6062 -167.873 -36.2179 -45.8311 25.4106 -123.743 -67.9265 20.8336 PRESSAVG: 4621600 24.0455 -36.9869 29.4688 -36.9868 3.50078 10.9619 29.4689 10.962 -1.24017 GPRESSAVG: 4621600 23.7948 -37.355 27.0442 -36.1499 3.50025 11.8732 29.7982 9.33724 -1.24103 TIMING: 4621600 CPU: 14916.8, 0.00313294/step Wall: 14916.8, 0.00313294/step, 0.329307 hours remaining, 235.085938 MB of memory in use. ENERGY: 4621600 4082.9131 20469.7722 14494.5659 229.2672 -203360.8097 2643.5355 0.0000 0.0000 52090.3103 -109350.4456 299.3637 -161440.7558 -108978.3869 300.0822 -64.1933 -38.1459 762908.6709 8.7687 8.6847 PRESSURE: 4621800 -442.064 -100.826 -164.706 -100.825 -120.154 128.883 -164.706 128.883 260.975 GPRESSURE: 4621800 -295.884 -80.7461 -210.492 -131.226 -126.948 178.581 -111.818 -44.6611 243.899 PRESSAVG: 4621800 18.8846 -60.5908 -6.99401 -60.5907 7.8934 33.3858 -6.99407 33.3858 -14.2121 GPRESSAVG: 4621800 19.9686 -60.2703 -6.20505 -61.4883 7.06582 32.6902 -6.36044 31.3571 -14.6835 TIMING: 4621800 CPU: 14917.5, 0.00311903/step Wall: 14917.5, 0.00311903/step, 0.327672 hours remaining, 235.085938 MB of memory in use. ENERGY: 4621800 4025.2223 20518.7879 14471.6840 247.6969 -203677.4907 2895.1848 0.0000 0.0000 52113.1494 -109405.7654 299.4950 -161518.9149 -109039.5226 299.1184 -100.4146 -59.6443 762927.0331 4.1886 4.1170 PRESSURE: 4622000 56.5341 -39.208 32.2781 -39.2077 224.443 51.0016 32.2777 51.0017 335.294 GPRESSURE: 4622000 149.895 180.84 2.71737 -37.9396 208.492 53.4487 38.7429 -52.7793 352.028 PRESSAVG: 4622000 42.3574 -30.5752 -11.8979 -30.5752 -16.6184 -36.3249 -11.8979 -36.3248 -5.8728 GPRESSAVG: 4622000 43.439 -28.9515 -11.4169 -28.5915 -18.0083 -36.2177 -12.7515 -35.7685 -5.94642 TIMING: 4622000 CPU: 14918.1, 0.00312412/step Wall: 14918.1, 0.00312412/step, 0.328033 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4622000 4107.5646 20397.6801 14442.2611 239.2100 -203588.0093 2744.7811 0.0000 0.0000 52369.6163 -109286.8961 300.9689 -161656.5124 -108920.0617 299.2318 205.4237 236.8052 760171.9284 6.6221 6.4948 PRESSURE: 4622200 -236.912 -43.2289 64.178 -43.2295 47.0043 68.9736 64.1773 68.9732 73.39 GPRESSURE: 4622200 -218.76 -35.5999 158.725 -60.798 70.5155 -5.21033 72.007 111.038 137.48 PRESSAVG: 4622200 32.4117 42.1305 -9.52586 42.1305 -17.6044 37.6564 -9.52581 37.6564 -0.820831 GPRESSAVG: 4622200 32.2308 42.2574 -10.6857 41.2717 -17.5455 37.7993 -7.68439 38.3829 -1.38642 TIMING: 4622200 CPU: 14918.7, 0.00311842/step Wall: 14918.7, 0.00311842/step, 0.327261 hours remaining, 235.085938 MB of memory in use. ENERGY: 4622200 4008.9160 20485.4436 14456.3597 252.4846 -203653.7911 2770.3643 0.0000 0.0000 52172.3184 -109507.9044 299.8350 -161680.2229 -109137.5090 299.3777 -38.8393 -3.5881 760528.5417 4.6622 4.4330 PRESSURE: 4622400 126.135 -13.76 77.8746 -13.7593 220.488 -45.0195 77.8754 -45.0174 -184.365 GPRESSURE: 4622400 224.616 45.2725 115.355 -2.1797 237.021 71.9537 64.9622 -38.422 -206.509 PRESSAVG: 4622400 15.3544 -17.9827 11.4043 -17.9827 -33.0899 37.8217 11.4043 37.8217 -21.7202 GPRESSAVG: 4622400 12.7706 -20.5926 12.5005 -15.037 -30.549 37.5623 9.49944 38.5372 -21.6626 TIMING: 4622400 CPU: 14919.3, 0.00313596/step Wall: 14919.3, 0.00313596/step, 0.328928 hours remaining, 235.085938 MB of memory in use. ENERGY: 4622400 3982.6844 20594.7458 14505.9923 247.1777 -203577.4445 2541.6609 0.0000 0.0000 51979.1763 -109726.0070 298.7250 -161705.1832 -109360.8632 298.7085 54.0860 85.0428 759595.5967 -13.1519 -13.1470 PRESSURE: 4622600 356.8 -59.3231 -231.759 -59.3238 -99.297 82.5353 -231.759 82.5355 -331.225 GPRESSURE: 4622600 286.19 -18.2595 -301.151 -126.575 42.059 112.931 -158.722 169.082 -277.368 PRESSAVG: 4622600 41.213 -14.4572 -2.79362 -14.4571 17.5839 12.2421 -2.79362 12.2421 -7.42349 GPRESSAVG: 4622600 42.4748 -11.7138 -4.91996 -17.3362 17.339 11.6622 -1.56575 11.7746 -7.77586 TIMING: 4622600 CPU: 14920, 0.00312457/step Wall: 14920, 0.00312457/step, 0.327559 hours remaining, 235.085938 MB of memory in use. ENERGY: 4622600 4052.0466 20404.4510 14479.2125 231.1767 -203652.5118 2613.2034 0.0000 0.0000 52046.9895 -109825.4320 299.1148 -161872.4215 -109459.5022 298.9427 -24.5741 16.9601 759967.1375 17.1245 17.3460 PRESSURE: 4622800 -92.92 118.214 -163.797 118.214 200.004 -38.4953 -163.797 -38.4951 -161.685 GPRESSURE: 4622800 -52.166 103.93 -208.303 114.585 179.698 20.6945 -100.994 -51.3683 -107.274 PRESSAVG: 4622800 34.9464 17.5979 3.79809 17.5978 -61.0249 58.94 3.79813 58.94 -5.21741 GPRESSAVG: 4622800 34.6603 16.1801 4.17092 16.7194 -61.9885 58.6781 3.06074 59.7679 -4.86018 TIMING: 4622800 CPU: 14920.6, 0.00312973/step Wall: 14920.6, 0.00312973/step, 0.327926 hours remaining, 235.085938 MB of memory in use. ENERGY: 4622800 3935.5856 20388.0589 14469.3143 256.6263 -203327.8207 2502.6516 0.0000 0.0000 51839.1184 -109936.4657 297.9201 -161775.5840 -109563.8147 298.4568 -18.2004 6.7528 760585.7303 -10.4320 -10.7294 PRESSURE: 4623000 72.4969 -108.41 -99.1815 -108.411 290.133 159.392 -99.1819 159.392 -101.917 GPRESSURE: 4623000 122.513 -52.1031 -85.9157 -89.0559 272.989 161.776 40.6904 186.441 -56.5699 PRESSAVG: 4623000 5.83034 -27.8606 20.3134 -27.8606 -17.3548 39.5711 20.3134 39.5711 4.48513 GPRESSAVG: 4623000 5.81328 -25.6927 21.6436 -26.8382 -17.6394 40.8219 20.1876 40.614 4.56082 TIMING: 4623000 CPU: 14921.2, 0.00313788/step Wall: 14921.2, 0.00313788/step, 0.328606 hours remaining, 235.085938 MB of memory in use. ENERGY: 4623000 4006.9293 20481.8914 14516.1460 241.3318 -204219.7639 2871.9389 0.0000 0.0000 52172.0257 -109929.5009 299.8333 -162101.5266 -109560.1166 298.2608 86.9040 112.9776 759269.5177 -2.3465 -2.4218 PRESSURE: 4623200 29.6928 -178.094 -93.716 -178.094 -5.35722 67.5437 -93.7161 67.5442 26.9287 GPRESSURE: 4623200 -45.7088 -207.817 -76.6491 -212.015 130.361 62.6336 -3.67828 21.3369 41.1622 PRESSAVG: 4623200 -38.8248 -73.3214 1.10705 -73.3214 1.65455 4.22332 1.10707 4.22334 4.35258 GPRESSAVG: 4623200 -39.4128 -74.2457 -0.345625 -73.8741 2.23006 5.03038 1.26151 0.636887 4.3336 TIMING: 4623200 CPU: 14921.8, 0.00311064/step Wall: 14921.8, 0.00311064/step, 0.32558 hours remaining, 235.085938 MB of memory in use. ENERGY: 4623200 4008.9324 20576.5644 14587.8256 252.2219 -204186.9805 3055.6512 0.0000 0.0000 52022.9269 -109682.8582 298.9765 -161705.7851 -109323.3737 298.5562 17.0881 41.9380 759678.5086 -10.9392 -10.9497 PRESSURE: 4623400 66.3676 -306.118 53.1327 -306.117 265.342 -180.941 53.1318 -180.941 69.9697 GPRESSURE: 4623400 106.06 -316.021 176.223 -249.48 288.053 -157.055 18.3502 -90.8377 84.6721 PRESSAVG: 4623400 16.974 -25.4671 0.895666 -25.467 6.92559 -18.7814 0.895584 -18.7814 13.9062 GPRESSAVG: 4623400 17.338 -26.1506 2.04368 -24.6903 6.5369 -18.9475 1.0279 -19.189 13.9697 TIMING: 4623400 CPU: 14922.5, 0.00309545/step Wall: 14922.5, 0.00309545/step, 0.323818 hours remaining, 235.085938 MB of memory in use. ENERGY: 4623400 4027.0524 20572.6918 14520.9409 250.9348 -203622.7283 2814.3514 0.0000 0.0000 52082.3315 -109354.4254 299.3179 -161436.7570 -108988.5602 299.4806 133.8931 159.5949 760044.5422 12.6019 12.6149 PRESSURE: 4623600 -295.412 -282.295 149.759 -282.294 133.773 -297.614 149.758 -297.614 -25.5833 GPRESSURE: 4623600 -154.046 -387.775 177.425 -140.392 72.2619 -343.26 132.696 -189.159 -35.9759 PRESSAVG: 4623600 -38.9084 -67.7524 -35.086 -67.7524 47.0822 -1.33989 -35.0859 -1.33986 -19.6127 GPRESSAVG: 4623600 -38.8071 -67.8796 -33.3373 -68.0727 46.4385 -3.25203 -35.3343 1.1477 -19.4959 TIMING: 4623600 CPU: 14923.1, 0.00312146/step Wall: 14923.1, 0.00312146/step, 0.326365 hours remaining, 235.085938 MB of memory in use. ENERGY: 4623600 3928.8444 20786.5618 14442.9117 229.6846 -203089.2335 2413.6482 0.0000 0.0000 51971.9037 -109315.6791 298.6832 -161287.5827 -108959.6554 299.2703 -62.4075 -39.2534 761298.7388 -3.8130 -3.9548 PRESSURE: 4623800 -338.474 88.4499 40.0606 88.4495 -217.242 -79.5632 40.0597 -79.5621 -143.183 GPRESSURE: 4623800 -275.601 135.173 78.5857 -32.7005 -137.152 -63.2069 62.999 -184.09 -189.871 PRESSAVG: 4623800 -59.7794 -52.1358 24.1574 -52.1358 37.3065 20.0332 24.1574 20.0331 -13.7934 GPRESSAVG: 4623800 -59.8986 -53.1862 23.6234 -52.3436 38.5176 20.4909 24.088 20.6019 -14.8082 TIMING: 4623800 CPU: 14923.7, 0.00311749/step Wall: 14923.7, 0.00311749/step, 0.325777 hours remaining, 235.085938 MB of memory in use. ENERGY: 4623800 4054.3441 20467.1646 14487.8934 238.5033 -203348.8416 2620.0584 0.0000 0.0000 52108.5766 -109372.3011 299.4687 -161480.8777 -109012.6817 299.2855 -232.9661 -200.8745 760771.3650 -12.0887 -12.0631 PRESSURE: 4624000 107.056 203.086 147.908 203.087 355.48 -177.873 147.907 -177.872 117.021 GPRESSURE: 4624000 234.405 207.316 98.5936 218.453 284.063 -183.017 83.418 -161.936 157.9 PRESSAVG: 4624000 -35.803 21.3641 -24.8533 21.3642 12.0396 -19.2383 -24.8533 -19.2383 42.9821 GPRESSAVG: 4624000 -34.7798 21.7038 -25.3216 20.1413 10.5835 -18.1201 -23.8337 -20.5459 43.2801 TIMING: 4624000 CPU: 14924.3, 0.0031112/step Wall: 14924.3, 0.0031112/step, 0.324948 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4624000 3998.0361 20676.7167 14461.8915 266.5357 -203651.0412 2787.8076 0.0000 0.0000 51887.4419 -109572.6118 298.1978 -161460.0537 -109213.5450 298.7081 193.1858 225.4560 761453.0572 6.4062 6.3613 PRESSURE: 4624200 -58.5318 -17.0082 29.075 -17.0081 -82.3704 49.9451 29.0754 49.9459 -122.549 GPRESSURE: 4624200 -41.6978 72.7206 -85.6518 -17.5356 -90.8743 23.3871 116.714 -1.84866 -34.2438 PRESSAVG: 4624200 16.9883 -33.4126 -31.2589 -33.4125 10.1484 -10.3322 -31.259 -10.3323 6.62857 GPRESSAVG: 4624200 16.5149 -32.9415 -30.4654 -33.7076 10.1195 -9.91279 -32.1609 -10.1074 6.40302 TIMING: 4624200 CPU: 14925, 0.00312642/step Wall: 14925, 0.00312642/step, 0.326364 hours remaining, 235.085938 MB of memory in use. ENERGY: 4624200 4002.4290 20493.8466 14494.9996 248.5809 -203510.5747 2625.3213 0.0000 0.0000 51995.8380 -109649.5593 298.8208 -161645.3972 -109291.1350 299.0477 -87.8170 -55.6053 761115.1987 11.2551 11.0125 LDB: ============= START OF LOAD BALANCING ============== 14937.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14937.4 LDB: =============== DONE WITH MIGRATION ================ 14937.4 LDB: ============= START OF LOAD BALANCING ============== 14937.7 LDB: Largest compute 7049 load 0.031586 is 16.2% of average load 0.195461 LDB: Average compute 0.004400 is 2.3% of average load 0.195461 LDB: TIME 14937.7 LOAD: AVG 0.195461 MAX 0.21298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.137 MB LDB: TIME 14937.7 LOAD: AVG 0.195461 MAX 0.21298 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.34 MB LDB: TIME 14937.7 LOAD: AVG 0.195461 MAX 0.21298 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.34 MB LDB: ============== END OF LOAD BALANCING =============== 14937.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14937.7 PRESSURE: 4624400 228.701 -35.1489 0.939367 -35.1484 164.961 332.147 0.938701 332.147 82.7228 GPRESSURE: 4624400 231.466 -79.3343 71.3097 -15.9465 227.525 285.425 23.8516 312.862 122.676 PRESSAVG: 4624400 60.7355 -11.4535 -29.9982 -11.4536 -73.5978 -25.4293 -29.9981 -25.4293 6.27324 GPRESSAVG: 4624400 60.6303 -12.6708 -31.8676 -11.4862 -72.3909 -25.1286 -28.2301 -27.1312 5.52934 TIMING: 4624400 CPU: 14925.6, 0.00318714/step Wall: 14925.6, 0.00318714/step, 0.332525 hours remaining, 234.042969 MB of memory in use. ENERGY: 4624400 4005.4596 20513.1229 14499.1331 262.4182 -203685.2345 2614.4516 0.0000 0.0000 52277.5697 -109513.0794 300.4399 -161790.6490 -109146.0554 298.9467 158.7948 193.8888 759147.7167 -2.1964 -2.0771 PRESSURE: 4624600 -200.556 190.042 -168.585 190.043 113.319 -78.1535 -168.586 -78.1533 467.476 GPRESSURE: 4624600 -183.837 133.885 -165.164 164.633 251.394 -202.414 -102.782 55.2664 381.423 PRESSAVG: 4624600 -54.6639 15.37 -15.1267 15.37 32.8477 -13.8755 -15.1267 -13.8755 -14.4058 GPRESSAVG: 4624600 -54.9947 18.0823 -13.1838 15.6708 31.3252 -14.987 -16.1517 -11.151 -12.6074 TIMING: 4624600 CPU: 14926.2, 0.00313848/step Wall: 14926.2, 0.00313848/step, 0.327274 hours remaining, 234.042969 MB of memory in use. ENERGY: 4624600 3994.6811 20517.1565 14448.1724 225.8192 -203513.2637 2781.2695 0.0000 0.0000 52149.1643 -109397.0006 299.7020 -161546.1649 -109041.0289 299.6302 126.7464 149.6598 758481.2355 -12.0740 -12.0923 PRESSURE: 4624800 239.054 63.9422 -12.2173 63.943 -211.09 250.04 -12.2172 250.04 575.105 GPRESSURE: 4624800 258.992 167.848 -74.6962 8.3022 -184.565 219.872 -57.1512 226.852 605.107 PRESSAVG: 4624800 38.9672 -57.1757 11.7747 -57.1757 -19.0265 -2.95479 11.7746 -2.95476 18.0239 GPRESSAVG: 4624800 38.5157 -59.3079 10.4042 -57.1178 -17.8546 -1.60945 12.1565 -3.09604 17.2793 TIMING: 4624800 CPU: 14926.8, 0.00314674/step Wall: 14926.8, 0.00314674/step, 0.327961 hours remaining, 234.042969 MB of memory in use. ENERGY: 4624800 3987.9863 20494.0250 14444.3066 248.0567 -203568.8842 2665.1090 0.0000 0.0000 52145.2227 -109584.1779 299.6793 -161729.4006 -109224.8200 299.4397 201.0229 226.5114 759288.1135 12.6549 12.6468 PRESSURE: 4625000 -152.391 114.16 118.619 114.16 135.439 -54.0392 118.619 -54.0398 -120.49 GPRESSURE: 4625000 -50.0469 203.425 133.254 -4.4594 140.355 -63.7004 78.2881 34.4499 -125.554 PRESSAVG: 4625000 18.9898 -22.4159 5.85867 -22.416 -26.0194 -7.81602 5.85865 -7.81609 8.72523 GPRESSAVG: 4625000 19.8753 -20.8904 6.2615 -22.6655 -25.7514 -9.36294 7.52172 -9.54018 7.73282 TIMING: 4625000 CPU: 14927.5, 0.00316318/step Wall: 14927.5, 0.00316318/step, 0.329498 hours remaining, 234.113281 MB of memory in use. ENERGY: 4625000 3934.6607 20607.2132 14450.1212 226.2068 -203597.9615 2620.2409 0.0000 0.0000 52150.1471 -109609.3716 299.7076 -161759.5187 -109244.7291 299.0119 -45.8140 -11.7487 760516.1592 0.5652 0.6189 PRESSURE: 4625200 -33.3679 -324.504 101.642 -324.503 -258.96 -118.187 101.642 -118.187 -7.62853 GPRESSURE: 4625200 33.1494 -355.186 52.2174 -259.373 -224.142 -99.5278 80.386 -41.2323 -17.0065 PRESSAVG: 4625200 5.07943 -55.5345 0.762487 -55.5344 -7.78334 1.01896 0.762492 1.01899 -12.3916 GPRESSAVG: 4625200 3.95021 -57.4776 0.549986 -53.7359 -8.70308 -0.655226 -0.479845 2.03271 -10.8726 TIMING: 4625200 CPU: 14928.1, 0.00315824/step Wall: 14928.1, 0.00315824/step, 0.328807 hours remaining, 234.113281 MB of memory in use. ENERGY: 4625200 3958.1572 20694.2549 14518.3596 233.4613 -203270.2044 2268.2725 0.0000 0.0000 52237.4621 -109360.2368 300.2094 -161597.6989 -109006.0751 299.5132 -99.9856 -69.3329 761946.2024 -5.0318 -5.2085 PRESSURE: 4625400 307.995 -24.8296 -157.48 -24.8294 6.99583 116.33 -157.481 116.33 -284.721 GPRESSURE: 4625400 279.635 6.70825 -134.604 -58.1462 137.173 107.772 -82.6927 48.8951 -282.267 PRESSAVG: 4625400 9.36638 -66.754 9.05636 -66.7541 0.620486 -51.5555 9.05631 -51.5554 14.0941 GPRESSAVG: 4625400 10.2368 -64.644 9.43443 -68.6364 1.52378 -49.0798 9.92397 -52.7038 12.5375 TIMING: 4625400 CPU: 14928.7, 0.00313134/step Wall: 14928.7, 0.00313134/step, 0.325834 hours remaining, 234.113281 MB of memory in use. ENERGY: 4625400 4024.0387 20552.8627 14564.4625 233.6606 -203193.7807 2400.7266 0.0000 0.0000 51912.8444 -109505.1852 298.3438 -161418.0295 -109137.1375 299.4705 10.0899 44.8473 761938.9090 8.0270 8.0993 PRESSURE: 4625600 -50.2669 -156.324 -68.4466 -156.324 5.98728 179.088 -68.4462 179.088 -50.6076 GPRESSURE: 4625600 6.06884 -168.601 -24.4336 -121.357 -15.7436 105.082 -58.7433 130.179 -0.112172 PRESSAVG: 4625600 -15.6925 -25.2467 -40.3324 -25.2467 24.9008 40.0233 -40.3324 40.0233 -9.9502 GPRESSAVG: 4625600 -15.8394 -24.0444 -40.7929 -23.1728 23.4399 39.1155 -40.6354 40.5575 -9.29563 TIMING: 4625600 CPU: 14929.4, 0.00313836/step Wall: 14929.4, 0.00313836/step, 0.326389 hours remaining, 234.113281 MB of memory in use. ENERGY: 4625600 4026.2398 20529.8785 14452.7605 244.8235 -203550.8420 2668.7817 0.0000 0.0000 52040.2586 -109588.0993 299.0761 -161628.3579 -109231.7967 299.4532 -31.6291 -3.2623 760617.0768 -0.2473 -0.5650 PRESSURE: 4625800 162.863 -58.6432 -305.026 -58.6429 54.2343 -74.1619 -305.026 -74.1622 -327.212 GPRESSURE: 4625800 166.48 -70.6687 -368.133 -6.61354 83.2191 29.398 -17.4172 80.2563 -281.552 PRESSAVG: 4625800 -0.375639 -59.9805 -3.13096 -59.9804 40.6222 -12.354 -3.13085 -12.3541 9.81384 GPRESSAVG: 4625800 -1.69556 -63.1402 -2.64859 -60.7683 41.1116 -11.9598 -3.84584 -11.5024 10.8821 TIMING: 4625800 CPU: 14930, 0.0031357/step Wall: 14930, 0.0031357/step, 0.325938 hours remaining, 234.113281 MB of memory in use. ENERGY: 4625800 4022.4102 20416.5860 14528.8048 248.0809 -203606.4960 2659.4108 0.0000 0.0000 52039.8715 -109691.3318 299.0739 -161731.2033 -109316.6433 298.9653 -36.7051 -10.6178 759741.9541 16.6868 16.7660 PRESSURE: 4626000 -132.024 219.278 -145.277 219.277 6.90622 -206.784 -145.276 -206.785 500.308 GPRESSURE: 4626000 -35.9548 159.609 -219.356 42.4051 61.6015 -148.652 36.5574 -357.186 451.636 PRESSAVG: 4626000 11.2951 34.4059 43.5015 34.406 3.15186 -6.26768 43.5015 -6.26763 -11.5953 GPRESSAVG: 4626000 11.6065 35.0852 44.2415 34.6755 3.78876 -5.89776 43.8839 -5.45395 -12.2998 TIMING: 4626000 CPU: 14930.6, 0.003119/step Wall: 14930.6, 0.003119/step, 0.32403 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4626000 3981.1501 20661.0016 14411.2109 245.2972 -203536.8933 2563.7936 0.0000 0.0000 52104.5158 -109569.9241 299.4454 -161674.4399 -109200.0736 299.2815 125.0633 159.0942 759996.3330 0.9505 1.0318 PRESSURE: 4626200 47.1979 -148.701 118.702 -148.7 -318.564 -133.514 118.702 -133.515 191.155 GPRESSURE: 4626200 9.37288 -240.046 124.157 -103.9 -209.927 -137.174 95.1331 -168.684 205.172 PRESSAVG: 4626200 36.8465 4.68482 16.5275 4.6848 -43.308 26.5949 16.5274 26.595 3.43173 GPRESSAVG: 4626200 37.3649 6.28927 15.6317 2.24394 -42.8826 27.1247 16.6893 24.5161 2.20584 TIMING: 4626200 CPU: 14931.2, 0.00312779/step Wall: 14931.2, 0.00312779/step, 0.324769 hours remaining, 234.113281 MB of memory in use. ENERGY: 4626200 3977.9227 20563.2463 14469.8893 245.1403 -203470.3528 2570.8493 0.0000 0.0000 52085.7112 -109557.5938 299.3373 -161643.3050 -109192.9505 299.3368 -26.7373 1.5390 760195.0196 -1.0099 -1.1040 PRESSURE: 4626400 -201.236 14.8703 -161.08 14.8698 44.9417 23.8426 -161.08 23.843 -187.493 GPRESSURE: 4626400 -174.22 58.3959 -157.201 -76.7301 57.1581 11.1183 -78.9176 -123.106 -142.769 PRESSAVG: 4626400 24.1174 -22.1194 -5.85907 -22.1193 -46.9097 -34.9113 -5.85907 -34.9114 7.10804 GPRESSAVG: 4626400 24.0836 -24.0255 -5.04841 -19.0981 -47.6537 -37.7963 -6.95187 -34.1728 8.39553 TIMING: 4626400 CPU: 14931.9, 0.00312707/step Wall: 14931.9, 0.00312707/step, 0.32452 hours remaining, 234.113281 MB of memory in use. ENERGY: 4626400 4032.6464 20471.1314 14488.5026 246.3230 -203484.5817 2589.0012 0.0000 0.0000 52214.8261 -109442.1510 300.0793 -161656.9771 -109084.6959 299.3255 -114.5958 -86.6103 761413.0995 -5.2281 -5.0582 PRESSURE: 4626600 -180.998 32.245 62.9495 32.2447 -305.648 28.7597 62.9502 28.7593 -55.7429 GPRESSURE: 4626600 -136.49 -13.9492 30.1345 55.683 -309.391 60.6738 52.7922 -149.932 -10.6839 PRESSAVG: 4626600 -19.2631 -88.8123 -19.7856 -88.8123 29.3752 -12.5722 -19.7856 -12.5722 -18.6662 GPRESSAVG: 4626600 -19.3354 -87.3734 -19.6917 -88.6915 28.9748 -11.064 -19.9812 -12.0922 -18.7835 TIMING: 4626600 CPU: 14932.5, 0.00314928/step Wall: 14932.5, 0.00314928/step, 0.32665 hours remaining, 234.113281 MB of memory in use. ENERGY: 4626600 3983.3027 20619.3970 14455.3619 232.9644 -203013.9440 2043.1059 0.0000 0.0000 52282.3037 -109397.5084 300.4671 -161679.8121 -109030.4312 299.5577 -180.7965 -152.1885 760420.7831 -2.8514 -3.0480 PRESSURE: 4626800 146.171 206.812 -47.1377 206.811 -93.2441 131.831 -47.1377 131.832 -198.802 GPRESSURE: 4626800 117.806 266.167 45.8046 238.646 -89.6786 104.838 -43.0235 -8.03427 -94.1074 PRESSAVG: 4626800 8.91072 -29.2366 -24.4316 -29.2366 -16.1546 -3.77663 -24.4315 -3.77662 -7.39554 GPRESSAVG: 4626800 8.19102 -30.193 -23.9184 -30.6451 -16.0118 -1.86899 -23.5409 -6.42546 -7.30469 TIMING: 4626800 CPU: 14933.1, 0.00314605/step Wall: 14933.1, 0.00314605/step, 0.326141 hours remaining, 234.113281 MB of memory in use. ENERGY: 4626800 4030.2423 20638.1324 14444.2925 259.8550 -203231.8923 2482.4256 0.0000 0.0000 52154.9071 -109222.0374 299.7350 -161376.9445 -108867.2054 299.8699 -48.6250 -21.9934 761244.1940 -4.8798 -5.0418 PRESSURE: 4627000 0.0888318 -165.353 -179.933 -165.352 -104.52 49.2573 -179.933 49.257 0.0474544 GPRESSURE: 4627000 56.0257 -159.952 -157.171 -156.567 -53.3929 68.7096 -261.853 12.1953 -35.0858 PRESSAVG: 4627000 30.0478 9.0796 17.2759 9.07962 -30.2876 -0.118704 17.2759 -0.118751 8.4986 GPRESSAVG: 4627000 30.5256 12.4525 17.0048 7.07836 -29.3807 -0.562561 16.9806 2.49807 7.47629 TIMING: 4627000 CPU: 14933.7, 0.00312137/step Wall: 14933.7, 0.00312137/step, 0.323408 hours remaining, 234.113281 MB of memory in use. ENERGY: 4627000 4033.5516 20578.1042 14511.4012 263.5755 -203377.4584 2433.9722 0.0000 0.0000 52380.6906 -109176.1630 301.0325 -161556.8536 -108809.4948 299.8999 -34.7945 -10.8177 760814.9414 2.7529 2.8737 PRESSURE: 4627200 -181.981 -32.5848 -213.157 -32.5835 79.262 -59.9799 -213.158 -59.9796 -275.577 GPRESSURE: 4627200 -103.325 -102.192 -169.481 -24.2487 123.933 22.7918 -253.601 -73.7616 -294.845 PRESSAVG: 4627200 30.613 -13.0403 -22.0467 -13.0404 -50.2785 -21.1398 -22.0466 -21.1397 -6.03167 GPRESSAVG: 4627200 30.8754 -15.4873 -21.2045 -12.8961 -50.0196 -20.1623 -23.3457 -22.5671 -6.16921 TIMING: 4627200 CPU: 14934.4, 0.00312823/step Wall: 14934.4, 0.00312823/step, 0.323946 hours remaining, 234.113281 MB of memory in use. ENERGY: 4627200 4099.9749 20486.6114 14454.7419 232.0288 -203472.0129 2673.6514 0.0000 0.0000 52531.2289 -108993.7755 301.8977 -161525.0044 -108631.9038 300.0793 -126.0986 -91.4124 761568.4724 -8.5657 -8.4378 PRESSURE: 4627400 98.9079 -54.9569 27.6944 -54.9572 20.1191 101.391 27.694 101.389 109.633 GPRESSURE: 4627400 219.992 1.5035 -56.3796 -89.7306 -9.76428 27.8753 -44.503 37.6384 102.702 PRESSAVG: 4627400 2.51503 -50.9482 -1.4969 -50.9482 -14.1726 49.5069 -1.49695 49.5069 1.17795 GPRESSAVG: 4627400 2.95273 -51.1496 -3.17506 -49.3826 -14.7817 47.9528 0.198105 51.9445 1.79814 TIMING: 4627400 CPU: 14935, 0.00313793/step Wall: 14935, 0.00313792/step, 0.324775 hours remaining, 234.113281 MB of memory in use. ENERGY: 4627400 4016.2514 20650.5404 14437.9419 242.2944 -203400.1161 2709.8696 0.0000 0.0000 52353.8650 -108989.3533 300.8784 -161343.2183 -108633.9422 300.2600 76.2199 104.3100 760561.6826 -3.4932 -3.3436 PRESSURE: 4627600 -150.419 141.887 113.231 141.887 88.0325 60.9543 113.231 60.9542 154.003 GPRESSURE: 4627600 -104.682 196.145 141.342 126.846 134.047 95.9688 66.1555 54.1589 165.997 PRESSAVG: 4627600 -1.81873 12.2016 -61.9055 12.2016 21.5875 53.8179 -61.9054 53.8179 -4.59302 GPRESSAVG: 4627600 -3.1989 10.8833 -60.6857 13.3663 22.4117 55.037 -61.8457 51.3129 -4.02114 TIMING: 4627600 CPU: 14935.6, 0.00313603/step Wall: 14935.6, 0.00313603/step, 0.324405 hours remaining, 234.113281 MB of memory in use. ENERGY: 4627600 4005.6893 20536.1918 14467.1832 249.0749 -202763.0636 2403.3255 0.0000 0.0000 51985.6474 -109115.9516 298.7622 -161101.5990 -108746.7565 300.0669 30.5389 65.1207 762293.2111 5.0586 5.0639 PRESSURE: 4627800 -386.247 -139.791 2.67363 -139.791 116.11 46.7775 2.67383 46.7778 -705.46 GPRESSURE: 4627800 -288.32 -218.19 12.8141 -60.1712 57.8111 -50.3107 -40.4389 49.7681 -656.463 PRESSAVG: 4627800 38.8566 9.67668 -38.4093 9.67662 -6.36716 -15.2237 -38.4093 -15.2237 8.77551 GPRESSAVG: 4627800 40.7328 9.47215 -40.6095 8.6511 -7.38639 -16.3737 -39.0218 -14.9101 7.57121 TIMING: 4627800 CPU: 14936.3, 0.0031191/step Wall: 14936.3, 0.0031191/step, 0.322481 hours remaining, 234.113281 MB of memory in use. ENERGY: 4627800 4039.2887 20519.9357 14417.4548 243.3063 -203053.1951 2324.3850 0.0000 0.0000 52275.3706 -109233.4540 300.4273 -161508.8246 -108874.7507 299.7118 -325.1990 -295.6572 760825.7012 13.7550 13.6392 PRESSURE: 4628000 -110.927 180.445 -263.857 180.445 65.6031 -56.5804 -263.857 -56.5806 -18.1592 GPRESSURE: 4628000 1.20753 152.992 -210.57 131.338 78.986 11.971 -180.375 -99.6552 -49.1246 PRESSAVG: 4628000 -50.2513 -67.8153 -45.7457 -67.8153 63.5409 28.9404 -45.7458 28.9403 4.72523 GPRESSAVG: 4628000 -50.598 -66.3015 -43.6963 -69.107 62.7627 30.4897 -44.7975 29.275 5.80684 TIMING: 4628000 CPU: 14936.9, 0.00313186/step Wall: 14936.9, 0.00313187/step, 0.323626 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4628000 3917.8505 20640.6077 14452.0838 268.1307 -202853.0123 2397.3355 0.0000 0.0000 52008.4679 -109168.5362 298.8934 -161177.0041 -108805.5665 300.0063 -21.1612 10.3563 760542.8427 6.0050 5.9905 PRESSURE: 4628200 2.44309 -269.801 287.25 -269.801 268.016 -129.563 287.251 -129.563 451.828 GPRESSURE: 4628200 21.5055 -112.114 245.78 -176.186 245.294 -145.856 261.31 -23.9167 540.904 PRESSAVG: 4628200 19.1025 -70.4046 -46.8058 -70.4047 11.7644 -36.1209 -46.8058 -36.1209 -3.7802 GPRESSAVG: 4628200 18.8918 -70.4029 -48.7624 -70.6803 12.6695 -36.9441 -46.365 -34.1562 -4.77439 TIMING: 4628200 CPU: 14937.5, 0.00312737/step Wall: 14937.5, 0.00312737/step, 0.322988 hours remaining, 234.113281 MB of memory in use. ENERGY: 4628200 3965.8392 20606.6314 14475.7860 235.4865 -203204.3629 2552.9690 0.0000 0.0000 52215.8464 -109151.8044 300.0852 -161367.6508 -108786.2332 299.8994 240.7622 269.2345 760035.3246 9.0289 8.9290 LDB: ============= START OF LOAD BALANCING ============== 14949.9 LDB: ============== END OF LOAD BALANCING =============== 14949.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14949.9 LDB: ============= START OF LOAD BALANCING ============== 14950.2 LDB: Largest compute 7074 load 0.032022 is 16.4% of average load 0.195567 LDB: Average compute 0.004391 is 2.2% of average load 0.195567 LDB: TIME 14950.2 LOAD: AVG 0.195567 MAX 0.213648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.309 MB LDB: TIME 14950.2 LOAD: AVG 0.195567 MAX 0.213648 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.387 MB LDB: TIME 14950.2 LOAD: AVG 0.195567 MAX 0.213648 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.387 MB LDB: ============== END OF LOAD BALANCING =============== 14950.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14950.2 PRESSURE: 4628400 14.243 -134.195 155.892 -134.194 61.0962 84.7104 155.891 84.7106 481.861 GPRESSURE: 4628400 74.5938 -74.0196 120.824 -143.743 141.957 73.6292 112.647 55.4021 419.535 PRESSAVG: 4628400 77.2257 -56.3058 10.6751 -56.3058 -23.6186 -26.6314 10.6751 -26.6315 -6.33822 GPRESSAVG: 4628400 76.954 -55.4753 11.502 -54.6709 -23.8319 -27.6562 11.522 -27.356 -6.69779 TIMING: 4628400 CPU: 14938.1, 0.00318426/step Wall: 14938.1, 0.00318426/step, 0.328686 hours remaining, 235.195312 MB of memory in use. ENERGY: 4628400 3968.9943 20482.6451 14505.2649 254.5435 -202920.7591 2572.0666 0.0000 0.0000 52196.8970 -108940.3478 299.9763 -161137.2449 -108579.5853 300.1693 185.7334 212.0285 760463.6458 15.7563 15.4748 PRESSURE: 4628600 107.092 -198.469 41.765 -198.471 259.975 127.238 41.7646 127.238 104.926 GPRESSURE: 4628600 180.359 -171.791 125.149 -219.264 177.474 107.055 -27.8082 74.9802 197.741 PRESSAVG: 4628600 24.4147 -69.8982 -39.3047 -69.8982 11.6756 -1.18963 -39.3047 -1.18958 -1.69751 GPRESSAVG: 4628600 24.5866 -72.1215 -40.0995 -71.5037 11.6477 -2.36143 -40.3708 -1.14027 -1.90391 TIMING: 4628600 CPU: 14938.8, 0.00312775/step Wall: 14938.8, 0.00312775/step, 0.322679 hours remaining, 235.468750 MB of memory in use. ENERGY: 4628600 3971.5108 20709.0462 14545.5451 245.7686 -202875.9357 2322.4034 0.0000 0.0000 52229.7854 -108851.8762 300.1653 -161081.6616 -108502.9030 300.8071 157.3312 185.1913 760762.6832 11.4643 11.4434 PRESSURE: 4628800 70.8998 -34.7453 -5.69774 -34.7441 41.9945 68.2627 -5.69739 68.2618 19.1394 GPRESSURE: 4628800 46.8639 -79.7628 0.519763 -30.1454 128.913 18.0132 -20.0201 -17.4632 57.9084 PRESSAVG: 4628800 -42.5918 -1.1265 -33.6525 -1.12649 1.97428 6.02422 -33.6525 6.02425 4.12938 GPRESSAVG: 4628800 -43.137 0.199204 -34.1257 -0.816429 3.22264 6.56492 -33.8895 5.92747 3.82146 TIMING: 4628800 CPU: 14939.4, 0.00311532/step Wall: 14939.4, 0.00311532/step, 0.321224 hours remaining, 235.726562 MB of memory in use. ENERGY: 4628800 3962.9930 20435.4432 14611.4632 235.6964 -202879.5915 2442.0650 0.0000 0.0000 52256.6968 -108935.2339 300.3200 -161191.9307 -108570.8867 300.0159 44.0112 77.8952 760834.3517 -12.1627 -12.0310 PRESSURE: 4629000 -206.708 98.3797 62.5682 98.379 -114.308 -55.6236 62.5684 -55.6237 -83.5523 GPRESSURE: 4629000 -130.796 57.586 -21.576 46.4316 -129.123 -135.772 30.3257 45.4277 -61.6889 PRESSAVG: 4629000 -10.3395 8.94015 -18.013 8.94022 30.831 16.4348 -18.0129 16.4347 -1.09303 GPRESSAVG: 4629000 -10.074 10.7004 -17.6444 9.06585 29.8784 18.4946 -18.7417 14.8518 -0.155166 TIMING: 4629000 CPU: 14940, 0.0031193/step Wall: 14940, 0.0031193/step, 0.321461 hours remaining, 235.726562 MB of memory in use. ENERGY: 4629000 4009.1875 20580.6063 14592.6504 234.0707 -202214.4498 1957.4739 0.0000 0.0000 52109.5877 -108730.8734 299.4745 -160840.4610 -108366.6652 300.1870 -134.8561 -107.2025 761662.2637 6.4662 6.5497 PRESSURE: 4629200 -52.4251 27.9652 -31.9248 27.9658 -144.723 95.168 -31.9254 95.1672 -13.7644 GPRESSURE: 4629200 -35.2126 -5.99542 -122.637 39.277 -67.7024 24.6285 -25.6363 134.654 -17.3552 PRESSAVG: 4629200 18.1267 -44.2611 12.5391 -44.2611 -3.48202 37.1904 12.5391 37.1905 1.79739 GPRESSAVG: 4629200 17.8612 -45.8853 14.0514 -43.9591 -3.51133 37.648 11.5912 38.9076 1.99255 TIMING: 4629200 CPU: 14940.6, 0.00311757/step Wall: 14940.6, 0.00311757/step, 0.32111 hours remaining, 235.726562 MB of memory in use. ENERGY: 4629200 3997.8071 20431.3261 14511.8327 260.9207 -203033.5538 2633.5048 0.0000 0.0000 52223.8340 -108974.3285 300.1311 -161198.1625 -108622.7449 300.2051 -70.3041 -40.0900 760364.4596 5.4807 5.4475 PRESSURE: 4629400 202.818 39.8357 -133.404 39.8352 295.789 -51.3136 -133.405 -51.313 110.081 GPRESSURE: 4629400 232.142 25.7261 -68.414 26.0114 343.842 -35.9787 -126.243 -36.2954 133.217 PRESSAVG: 4629400 -4.01591 -3.91774 -22.2436 -3.91771 24.6659 -22.4361 -22.2436 -22.4361 11.7344 GPRESSAVG: 4629400 -3.99252 -3.00622 -23.5142 -3.38378 25.0258 -22.8658 -22.2125 -23.7691 11.2024 TIMING: 4629400 CPU: 14941.3, 0.00312366/step Wall: 14941.3, 0.00312365/step, 0.321563 hours remaining, 235.726562 MB of memory in use. ENERGY: 4629400 4005.7912 20320.4071 14445.1057 248.6818 -202868.9884 2520.8030 0.0000 0.0000 52292.5922 -109035.6075 300.5262 -161328.1997 -108666.6869 299.6770 202.8961 236.4001 760573.7574 10.7948 10.7452 PRESSURE: 4629600 -191.567 -92.0954 172.241 -92.0958 -31.4673 31.8051 172.241 31.8053 -291.938 GPRESSURE: 4629600 -213.184 -106.031 134.197 28.5962 -0.412023 79.9474 359.62 -76.8555 -216.14 PRESSAVG: 4629600 6.22142 -1.96275 -36.1467 -1.96278 59.6776 -5.87717 -36.1468 -5.87714 -11.0138 GPRESSAVG: 4629600 6.56802 -3.81767 -33.9027 -4.66554 58.6763 -6.6241 -34.4576 -4.56907 -9.89767 TIMING: 4629600 CPU: 14941.9, 0.00312198/step Wall: 14941.9, 0.00312198/step, 0.321217 hours remaining, 235.726562 MB of memory in use. ENERGY: 4629600 3974.2745 20612.2161 14427.5238 243.5996 -203053.5766 2346.5934 0.0000 0.0000 52318.9156 -109130.4536 300.6775 -161449.3692 -108777.2421 299.9238 -171.6574 -143.2456 761270.9496 18.2951 18.4489 PRESSURE: 4629800 -170.899 122.928 84.0477 122.928 -12.2842 -87.9235 84.0482 -87.9236 72.6126 GPRESSURE: 4629800 -125.5 -10.2552 34.8569 125.663 45.6311 -82.6401 137.696 -119.105 63.1618 PRESSAVG: 4629800 -16.8043 -49.4626 11.8161 -49.4627 -11.4584 -25.3688 11.8161 -25.3687 2.53926 GPRESSAVG: 4629800 -17.1766 -48.8105 10.3995 -48.2001 -10.072 -24.9904 12.1301 -27.2738 1.61729 TIMING: 4629800 CPU: 14942.5, 0.00312812/step Wall: 14942.5, 0.00312812/step, 0.321675 hours remaining, 235.738281 MB of memory in use. ENERGY: 4629800 4029.6733 20467.3324 14518.3658 253.9505 -203254.6354 2715.2270 0.0000 0.0000 52150.8268 -109119.2597 299.7115 -161270.0865 -108746.6343 300.0659 -36.8569 -5.5691 761652.1431 -8.5745 -8.5438 PRESSURE: 4630000 -7.89521 46.4885 -5.3772 46.4885 -240.656 -145.616 -5.37728 -145.615 -40.5844 GPRESSURE: 4630000 -72.8516 15.3984 -105.445 142.489 -119.765 -179.97 -95.1607 -59.9953 -26.1727 PRESSAVG: 4630000 -15.2652 -25.1932 9.88553 -25.1932 17.3209 2.05085 9.88555 2.05088 -19.4456 GPRESSAVG: 4630000 -15.0862 -26.0864 9.06997 -24.4142 17.0531 1.42659 6.89477 4.17452 -19.3502 TIMING: 4630000 CPU: 14943.1, 0.00312425/step Wall: 14943.1, 0.00312425/step, 0.321104 hours remaining, 235.738281 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: 4630000 4028.7229 20603.4205 14468.7655 239.8337 -203131.4251 2504.0088 0.0000 0.0000 52305.4682 -108981.2055 300.6002 -161286.6737 -108623.0062 300.2895 -96.3787 -72.9296 761814.3703 -5.7966 -5.7944 PRESSURE: 4630200 -55.7439 -14.6883 99.5604 -14.6878 -80.6299 147.491 99.5604 147.49 -582.704 GPRESSURE: 4630200 -88.37 -37.4828 90.609 8.87855 12.3918 167.832 69.7385 0.588989 -532.29 PRESSAVG: 4630200 2.8275 -25.6003 14.205 -25.6003 -27.4102 -1.79324 14.2049 -1.79319 -4.95597 GPRESSAVG: 4630200 2.54097 -26.2785 15.8441 -26.7132 -25.7548 -3.53958 16.7 -1.94341 -5.69812 TIMING: 4630200 CPU: 14943.8, 0.00311005/step Wall: 14943.8, 0.00311005/step, 0.319471 hours remaining, 235.738281 MB of memory in use. ENERGY: 4630200 4008.6018 20503.1785 14444.2365 255.4527 -202948.0238 2198.6233 0.0000 0.0000 52355.8187 -109182.1122 300.8896 -161537.9310 -108810.7900 300.3211 -239.6926 -202.7560 761649.0744 -9.8462 -9.6373 PRESSURE: 4630400 83.352 151.023 89.5563 151.023 -9.17533 -251.37 89.5558 -251.371 -95.1312 GPRESSURE: 4630400 114.429 235.955 46.175 112.221 36.8815 -215.994 108.998 -174.649 -97.6394 PRESSAVG: 4630400 11.1865 -62.6096 32.691 -62.6096 -6.36145 -2.42959 32.6909 -2.42965 -15.3162 GPRESSAVG: 4630400 11.5606 -58.7315 33.1812 -62.3785 -6.98125 -0.559171 31.0003 -3.20865 -15.1145 TIMING: 4630400 CPU: 14944.4, 0.0031355/step Wall: 14944.4, 0.0031355/step, 0.321911 hours remaining, 235.738281 MB of memory in use. ENERGY: 4630400 3988.3374 20606.8181 14494.7570 241.8984 -203383.1228 2503.8400 0.0000 0.0000 52333.6423 -109213.8296 300.7622 -161547.4719 -108838.7949 299.6190 -6.9848 17.8905 761440.1165 -3.4971 -3.5117 PRESSURE: 4630600 -93.0558 -20.8998 25.4902 -20.8982 -541.735 310.031 25.4895 310.032 65.8835 GPRESSURE: 4630600 -48.6069 -50.1779 -31.9398 11.6213 -469.869 233.783 37.7551 265.25 36.3284 PRESSAVG: 4630600 -26.2022 -73.6393 -2.00401 -73.6393 55.2538 -2.97513 -2.00403 -2.97508 -1.22584 GPRESSAVG: 4630600 -26.4093 -76.2695 -3.63297 -71.7149 54.2591 -1.88335 -2.08995 -3.5471 -0.452303 TIMING: 4630600 CPU: 14945, 0.0031208/step Wall: 14945, 0.0031208/step, 0.320228 hours remaining, 235.738281 MB of memory in use. ENERGY: 4630600 3974.9034 20567.8258 14417.7053 241.7861 -202781.8342 2224.4932 0.0000 0.0000 52135.1817 -109219.9387 299.6216 -161355.1204 -108851.5966 299.7697 -189.6358 -160.7158 761877.8515 9.2753 9.1325 PRESSURE: 4630800 94.7334 20.3893 -35.5178 20.3883 65.0929 -257.445 -35.5175 -257.445 113.086 GPRESSURE: 4630800 106.161 36.805 -45.8696 58.0432 97.0658 -223.024 -82.4977 -296.685 167.633 PRESSAVG: 4630800 -28.879 -83.732 10.219 -83.7321 44.1239 28.6824 10.2189 28.6823 -7.52911 GPRESSAVG: 4630800 -28.3678 -83.3342 12.2807 -86.1864 44.4901 29.3799 10.2245 28.9408 -8.21205 TIMING: 4630800 CPU: 14945.6, 0.00311796/step Wall: 14945.6, 0.00311796/step, 0.319764 hours remaining, 235.738281 MB of memory in use. ENERGY: 4630800 4066.2612 20464.9478 14452.9467 254.7400 -203173.0992 2551.5107 0.0000 0.0000 52182.2054 -109200.4876 299.8919 -161382.6929 -108832.1030 300.1372 90.9706 123.6200 762306.0865 2.5719 2.6368 PRESSURE: 4631000 141.303 -10.3579 169.379 -10.3587 4.13683 47.5433 169.38 47.5421 16.169 GPRESSURE: 4631000 189.687 91.1223 290.084 -55.2826 86.3421 87.683 191.665 45.162 -48.7662 PRESSAVG: 4631000 -31.695 -52.3862 -3.00783 -52.3862 26.1093 -17.9646 -3.00779 -17.9646 24.4011 GPRESSAVG: 4631000 -32.0548 -51.7044 -3.69854 -50.6405 27.2432 -17.2281 -2.18694 -18.4599 23.7563 TIMING: 4631000 CPU: 14946.3, 0.00311922/step Wall: 14946.3, 0.00311922/step, 0.31972 hours remaining, 235.738281 MB of memory in use. ENERGY: 4631000 3954.7850 20657.8709 14442.1809 228.3055 -202869.3833 2077.5984 0.0000 0.0000 52268.9984 -109239.6442 300.3907 -161508.6426 -108874.7714 299.8391 53.8695 75.7544 761038.9147 6.2718 6.3149 PRESSURE: 4631200 -277.911 82.7637 -50.7542 82.7629 3.3592 29.563 -50.7533 29.5619 -42.9223 GPRESSURE: 4631200 -173.133 67.3048 21.2367 33.489 -85.3371 -7.10823 -125.244 -34.1881 7.14614 PRESSAVG: 4631200 -31.3417 -35.1944 46.4148 -35.1944 6.44309 12.2399 46.4148 12.2399 0.550333 GPRESSAVG: 4631200 -30.0529 -35.8316 47.0508 -37.9427 4.54774 11.0668 47.2067 12.2849 1.29568 TIMING: 4631200 CPU: 14946.9, 0.003119/step Wall: 14946.9, 0.003119/step, 0.319524 hours remaining, 235.738281 MB of memory in use. ENERGY: 4631200 3984.8106 20632.5782 14495.8316 259.6370 -203429.3513 2490.1150 0.0000 0.0000 52164.8138 -109401.5650 299.7919 -161566.3789 -109029.9708 299.5380 -105.8247 -83.7748 762153.8259 -8.1161 -8.0698 PRESSURE: 4631400 -118.958 -198.983 -12.5556 -198.984 -374.748 209.932 -12.5554 209.932 227.413 GPRESSURE: 4631400 -117.763 -202.654 -128.6 -230.932 -237.664 114.444 26.6856 154.794 189.209 PRESSAVG: 4631400 10.3828 14.9399 16.6384 14.9398 -14.0721 0.909583 16.6384 0.909628 0.917951 GPRESSAVG: 4631400 9.00637 16.3731 14.9074 15.5827 -12.6597 0.159169 15.9837 0.014688 1.50418 TIMING: 4631400 CPU: 14947.5, 0.00311462/step Wall: 14947.5, 0.00311462/step, 0.318903 hours remaining, 235.738281 MB of memory in use. ENERGY: 4631400 3976.4747 20658.8746 14420.2812 247.7343 -203032.2323 2432.0809 0.0000 0.0000 51681.2936 -109615.4929 297.0131 -161296.7865 -109261.4718 299.3535 -88.7642 -55.4063 760521.2624 -0.9238 -0.7164 PRESSURE: 4631600 -104.595 16.7501 -98.9881 16.7499 67.767 -102.475 -98.9879 -102.475 -38.9051 GPRESSURE: 4631600 -107.031 111.59 -75.223 11.6332 40.0234 -55.994 24.8695 -175.796 75.2785 PRESSAVG: 4631600 15.7063 -8.15053 15.2846 -8.15056 -25.4895 16.5279 15.2846 16.5278 2.95585 GPRESSAVG: 4631600 15.4206 -10.168 15.0352 -5.49127 -24.5349 16.6518 15.247 20.6061 2.43537 TIMING: 4631600 CPU: 14948.1, 0.00311169/step Wall: 14948.1, 0.00311169/step, 0.318429 hours remaining, 235.738281 MB of memory in use. ENERGY: 4631600 3990.7386 20533.8458 14475.5159 284.0397 -203323.0419 2688.2794 0.0000 0.0000 51849.7767 -109500.8458 297.9814 -161350.6225 -109132.0790 299.6697 -25.2443 2.7568 762039.7263 -2.2758 -2.2263 PRESSURE: 4631800 -45.6865 179.036 -332.35 179.035 -147.149 155.364 -332.35 155.363 -50.0035 GPRESSURE: 4631800 23.2294 187.301 -418.932 202.271 -107.919 121.632 -212.139 87.4531 -62.4348 PRESSAVG: 4631800 30.7046 -4.75805 -66.6055 -4.75803 -44.119 -11.3619 -66.6054 -11.362 26.8677 GPRESSAVG: 4631800 29.763 -3.86384 -65.2045 -7.11886 -44.0308 -12.1522 -67.5058 -13.1429 27.1045 TIMING: 4631800 CPU: 14948.7, 0.00311593/step Wall: 14948.7, 0.00311593/step, 0.31869 hours remaining, 235.738281 MB of memory in use. ENERGY: 4631800 3968.8106 20423.3839 14459.1964 252.2189 -203027.4563 2390.1353 0.0000 0.0000 51915.4446 -109618.2666 298.3588 -161533.7112 -109256.9251 298.9810 -80.9463 -49.0416 760499.4794 4.4844 4.2789 PRESSURE: 4632000 -356.07 -46.1368 -23.2834 -46.137 60.9259 -35.1573 -23.2834 -35.1574 114.54 GPRESSURE: 4632000 -280.006 -127.322 -1.09523 -7.69329 70.7444 75.785 -7.16119 -122.543 120.981 PRESSAVG: 4632000 49.8232 -46.0217 28.5205 -46.0217 -48.6407 -10.2953 28.5205 -10.2953 -10.412 GPRESSAVG: 4632000 51.0002 -45.6681 30.2163 -45.7834 -48.2127 -9.5614 28.6118 -11.7475 -11.567 TIMING: 4632000 CPU: 14949.4, 0.00309264/step Wall: 14949.4, 0.00309265/step, 0.316137 hours remaining, 235.738281 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: 4632000 3950.9851 20415.1703 14463.1385 240.0256 -203287.0594 2673.5567 0.0000 0.0000 51848.1429 -109696.0402 297.9720 -161544.1831 -109350.8382 298.5233 -60.2012 -29.4269 762567.2097 -3.0765 -2.9265 PRESSURE: 4632200 69.7712 76.6022 -388.542 76.6027 -54.5842 197.978 -388.542 197.978 66.2853 GPRESSURE: 4632200 45.9186 12.0257 -353.168 54.9503 -11.9296 182.344 -354.991 252.687 112.644 PRESSAVG: 4632200 42.7515 -31.4409 -18.5052 -31.4409 -26.6442 -41.549 -18.5051 -41.549 -4.36626 GPRESSAVG: 4632200 42.6774 -32.8936 -19.3803 -30.9709 -27.574 -41.767 -19.4114 -42.1685 -3.1506 TIMING: 4632200 CPU: 14950, 0.0030983/step Wall: 14950, 0.0030983/step, 0.316543 hours remaining, 235.738281 MB of memory in use. ENERGY: 4632200 4050.1258 20531.4419 14458.0768 232.3037 -203174.2220 2417.9315 0.0000 0.0000 51808.3963 -109675.9459 297.7436 -161484.3422 -109322.9738 298.6425 27.1575 48.8778 760608.2409 3.9137 3.9843 LDB: ============= START OF LOAD BALANCING ============== 14962.4 LDB: ============== END OF LOAD BALANCING =============== 14962.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14962.4 LDB: ============= START OF LOAD BALANCING ============== 14962.7 LDB: Largest compute 7061 load 0.031837 is 16.3% of average load 0.195600 LDB: Average compute 0.004369 is 2.2% of average load 0.195600 LDB: TIME 14962.7 LOAD: AVG 0.1956 MAX 0.215839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.973 MB LDB: TIME 14962.7 LOAD: AVG 0.1956 MAX 0.215839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.973 MB LDB: TIME 14962.7 LOAD: AVG 0.1956 MAX 0.215839 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.973 MB LDB: ============== END OF LOAD BALANCING =============== 14962.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14962.7 PRESSURE: 4632400 -221.497 -23.6511 -179.995 -23.6516 -45.3337 -24.3944 -179.995 -24.3937 150.411 GPRESSURE: 4632400 -124.118 36.0948 -144.811 -19.6681 -31.167 -174.668 -174.773 88.2252 118.658 PRESSAVG: 4632400 34.7092 -16.1244 -60.4995 -16.1244 -7.95197 -8.72656 -60.4995 -8.72653 -13.0711 GPRESSAVG: 4632400 34.5935 -15.1896 -61.417 -16.8745 -7.93597 -10.5323 -58.2768 -6.24737 -13.2403 TIMING: 4632400 CPU: 14950.6, 0.00317352/step Wall: 14950.6, 0.00317352/step, 0.324051 hours remaining, 233.332031 MB of memory in use. ENERGY: 4632400 4025.1301 20393.3792 14442.4614 241.5544 -203426.9772 2447.6712 0.0000 0.0000 52295.6805 -109581.1005 300.5440 -161876.7810 -109217.1366 298.8687 -38.8065 -12.2090 761183.0122 4.5620 4.4724 PRESSURE: 4632600 50.5754 -12.6727 -78.3854 -12.6727 -379.043 -229.252 -78.3853 -229.251 -471.214 GPRESSURE: 4632600 40.5099 -6.10266 -41.318 -64.8795 -286.478 -286.43 -105.94 -146.693 -459.231 PRESSAVG: 4632600 28.8509 -50.9882 -1.80407 -50.9882 3.92993 -7.00732 -1.80406 -7.0073 -14.7535 GPRESSAVG: 4632600 29.3839 -51.0927 -1.59437 -51.0397 3.00916 -4.1272 -1.40848 -8.01178 -14.74 TIMING: 4632600 CPU: 14951.2, 0.00310014/step Wall: 14951.2, 0.00310014/step, 0.316386 hours remaining, 233.332031 MB of memory in use. ENERGY: 4632600 3970.8769 20640.8480 14445.1037 251.7624 -202868.1477 2156.1137 0.0000 0.0000 52003.3050 -109400.1381 298.8637 -161403.4430 -109045.8797 299.8638 -266.5604 -235.0664 761426.7552 6.0091 5.8843 PRESSURE: 4632800 -195.983 -207.575 3.97435 -207.576 -432.812 72.2841 3.97445 72.2836 164.736 GPRESSURE: 4632800 -144.981 -18.9376 32.3022 -61.3573 -397.216 137.552 -90.862 73.5289 173.363 PRESSAVG: 4632800 6.55849 -28.8636 23.559 -28.8636 2.25548 -17.8563 23.5591 -17.8562 5.74597 GPRESSAVG: 4632800 6.00327 -28.6933 23.9462 -26.6533 2.34109 -20.0776 23.3999 -16.9762 6.30741 TIMING: 4632800 CPU: 14951.9, 0.00310262/step Wall: 14951.9, 0.00310262/step, 0.316467 hours remaining, 233.601562 MB of memory in use. ENERGY: 4632800 3933.4630 20604.4863 14446.3855 245.9161 -203165.9041 2239.2427 0.0000 0.0000 52077.7210 -109618.6896 299.2914 -161696.4105 -109263.3292 299.3968 -154.6865 -122.9444 760404.8278 4.8533 4.8839 PRESSURE: 4633000 -31.5554 131.328 -90.5375 131.328 51.0514 -172.499 -90.5376 -172.5 279.49 GPRESSURE: 4633000 -10.3203 69.731 -37.6399 116.492 110.684 -217.566 -304.56 -229.156 299.759 PRESSAVG: 4633000 -44.8516 -14.0487 17.0781 -14.0487 -12.6356 -36.2553 17.0781 -36.2553 2.54512 GPRESSAVG: 4633000 -46.164 -13.3114 17.2618 -14.6414 -11.1622 -35.6269 15.4444 -37.4018 2.57365 TIMING: 4633000 CPU: 14952.5, 0.0031065/step Wall: 14952.5, 0.0031065/step, 0.31669 hours remaining, 233.601562 MB of memory in use. ENERGY: 4633000 3945.8717 20438.5067 14516.5112 234.3375 -203287.7009 2489.3461 0.0000 0.0000 52034.8788 -109628.2489 299.0452 -161663.1277 -109254.5548 299.1858 99.6621 133.3740 760390.2349 -18.3140 -18.2509 PRESSURE: 4633200 -80.129 -106.682 -73.4377 -106.682 295.758 125.69 -73.4375 125.689 -343.068 GPRESSURE: 4633200 -14.8481 -104.708 -54.227 -122.849 268.702 116.067 -120.867 239.671 -291.578 PRESSAVG: 4633200 -41.9621 -31.7153 -85.3019 -31.7153 82.9359 -21.7014 -85.3019 -21.7014 12.5765 GPRESSAVG: 4633200 -41.1411 -33.8512 -85.903 -34.2726 81.4146 -20.7597 -83.5812 -24.0251 12.558 TIMING: 4633200 CPU: 14953.1, 0.00312239/step Wall: 14953.1, 0.00312239/step, 0.318137 hours remaining, 233.601562 MB of memory in use. ENERGY: 4633200 3996.7797 20508.9726 14528.6118 240.5647 -203502.9057 2533.5465 0.0000 0.0000 51920.8052 -109773.6252 298.3896 -161694.4304 -109422.8677 298.7511 -42.4799 -12.5748 761423.6246 17.8501 17.6105 PRESSURE: 4633400 304.621 167.254 -35.1152 167.255 176.26 -30.3105 -35.1148 -30.3117 50.6637 GPRESSURE: 4633400 301.624 221.212 -34.1635 61.9373 227.854 60.874 18.9122 24.0852 83.0998 PRESSAVG: 4633400 -24.1721 -23.7156 3.82356 -23.7156 12.7023 -32.7552 3.82362 -32.7553 7.15658 GPRESSAVG: 4633400 -23.4504 -22.3049 4.0162 -24.3585 12.6395 -33.3468 4.36586 -28.1258 6.22462 TIMING: 4633400 CPU: 14953.7, 0.0031105/step Wall: 14953.7, 0.0031105/step, 0.316753 hours remaining, 233.601562 MB of memory in use. ENERGY: 4633400 3975.5331 20546.1148 14559.8626 257.4521 -203511.3051 2568.9699 0.0000 0.0000 52038.1073 -109565.2654 299.0637 -161603.3726 -109191.6839 298.4451 177.1816 204.1926 760039.4647 -1.4377 -1.5288 PRESSURE: 4633600 395.876 -104.286 70.1779 -104.286 -24.7569 -60.2189 70.1782 -60.2172 -16.0614 GPRESSURE: 4633600 349.992 -118.894 51.387 31.8564 70.4544 -3.08448 -1.44226 -97.2212 13.0903 PRESSAVG: 4633600 16.0103 10.1454 3.66764 10.1454 -19.795 -5.16483 3.66768 -5.16483 3.06033 GPRESSAVG: 4633600 14.5166 9.25483 4.34718 12.2178 -19.0772 -4.17704 1.16525 -8.59551 3.88794 TIMING: 4633600 CPU: 14954.4, 0.00310453/step Wall: 14954.4, 0.00310453/step, 0.315972 hours remaining, 233.601562 MB of memory in use. ENERGY: 4633600 3954.2427 20704.8185 14496.6468 251.7032 -203693.1661 2548.1083 0.0000 0.0000 52010.1894 -109727.4571 298.9033 -161737.6466 -109372.8126 299.4186 118.3527 144.5121 759756.6520 -0.2414 -0.2242 PRESSURE: 4633800 -366.151 61.8636 -36.1129 61.8635 -315.963 153.135 -36.1131 153.136 233.055 GPRESSURE: 4633800 -304.815 11.8287 -97.2827 142.403 -302.476 112.551 85.455 206.058 239.835 PRESSAVG: 4633800 34.3336 -30.5269 -51.8395 -30.5268 -21.676 -31.1195 -51.8395 -31.1195 -6.98729 GPRESSAVG: 4633800 35.567 -28.4902 -51.9288 -31.1082 -22.2582 -31.8687 -49.4311 -28.9623 -7.4149 TIMING: 4633800 CPU: 14955, 0.0031166/step Wall: 14955, 0.0031166/step, 0.317027 hours remaining, 233.601562 MB of memory in use. ENERGY: 4633800 4046.7927 20421.2274 14550.2064 240.9903 -203087.9016 2288.8496 0.0000 0.0000 51913.7498 -109626.0854 298.3490 -161539.8351 -109263.7800 298.9811 -149.6861 -122.4856 760943.3449 1.8901 1.9646 PRESSURE: 4634000 242.885 -103.581 66.3682 -103.581 -3.709 -59.1961 66.3687 -59.1968 441.157 GPRESSURE: 4634000 242.288 -61.031 64.5865 -200.881 35.3615 -53.7682 -67.2554 24.9896 497.291 PRESSAVG: 4634000 26.8564 9.63681 -21.0686 9.63681 -40.5719 -36.2117 -21.0686 -36.2117 5.38559 GPRESSAVG: 4634000 25.6101 9.08078 -19.878 9.60988 -40.3188 -34.9895 -22.5756 -39.1748 5.96359 TIMING: 4634000 CPU: 14955.6, 0.0031171/step Wall: 14955.6, 0.0031171/step, 0.316905 hours remaining, 233.601562 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: 4634000 4038.9482 20513.9488 14524.0306 250.9655 -203535.7695 2841.1085 0.0000 0.0000 51896.0261 -109470.7419 298.2472 -161366.7680 -109109.6466 298.8880 226.7777 258.3136 760406.4594 -2.7766 -2.9150 PRESSURE: 4634200 58.3039 179.57 -377.674 179.57 199.493 -125.34 -377.674 -125.34 -182.486 GPRESSURE: 4634200 25.5149 -9.93036 -462.439 173.337 290.192 -54.6582 -256.664 -186.871 -171.117 PRESSAVG: 4634200 96.0885 -18.0178 -38.9302 -18.0177 -90.2986 -4.88843 -38.9302 -4.8883 -12.9112 GPRESSAVG: 4634200 95.1104 -19.5201 -41.1126 -18.5375 -89.1218 -6.92708 -37.3663 -5.90119 -12.7021 TIMING: 4634200 CPU: 14956.2, 0.00312209/step Wall: 14956.2, 0.00312209/step, 0.317239 hours remaining, 233.601562 MB of memory in use. ENERGY: 4634200 3946.6019 20628.7292 14470.1378 243.5916 -203627.6654 2695.4228 0.0000 0.0000 52119.1586 -109524.0236 299.5295 -161643.1821 -109157.6873 299.3542 25.1036 48.1966 761337.8458 -2.3738 -2.2378 PRESSURE: 4634400 -140.586 -266.798 -81.0152 -266.798 -266.333 -197.144 -81.0147 -197.145 -124.047 GPRESSURE: 4634400 -150.849 -116.378 -59.8079 -360.013 -170.457 -178.061 -16.2053 12.0018 -135.597 PRESSAVG: 4634400 17.4822 -54.3722 -38.273 -54.3723 -19.4957 16.6323 -38.2729 16.6324 -0.552127 GPRESSAVG: 4634400 18.3747 -53.0903 -38.2952 -54.225 -20.3888 18.3056 -37.5027 18.348 -0.546589 TIMING: 4634400 CPU: 14956.8, 0.00309996/step Wall: 14956.8, 0.00309996/step, 0.314819 hours remaining, 233.601562 MB of memory in use. ENERGY: 4634400 4055.7581 20624.3157 14500.7648 249.5813 -203195.7552 2245.0368 0.0000 0.0000 52048.8828 -109471.4156 299.1256 -161520.2984 -109118.4275 299.6557 -176.9886 -152.3008 762113.2575 -0.8552 -0.8536 PRESSURE: 4634600 76.2477 25.1251 116.055 25.1256 53.6935 -47.0641 116.054 -47.0642 452.453 GPRESSURE: 4634600 158.186 58.6219 154.648 84.2387 30.2402 -70.949 17.6551 -91.82 477.289 PRESSAVG: 4634600 4.61362 1.56777 -24.6439 1.56774 -50.8395 8.66598 -24.6439 8.66601 9.8125 GPRESSAVG: 4634600 4.95781 0.15122 -23.7276 3.78663 -50.8067 8.48205 -25.4661 7.79551 9.00533 TIMING: 4634600 CPU: 14957.5, 0.00311603/step Wall: 14957.5, 0.00311603/step, 0.316277 hours remaining, 233.601562 MB of memory in use. ENERGY: 4634600 4018.9493 20371.7356 14466.1513 268.3121 -203605.1254 2781.5569 0.0000 0.0000 51998.1408 -109700.2794 298.8340 -161698.4202 -109339.9082 299.4158 194.1314 221.9051 760657.7680 -12.1378 -12.2812 PRESSURE: 4634800 -89.4256 -35.9404 32.5434 -35.9403 -153.925 -130.365 32.5431 -130.365 158.916 GPRESSURE: 4634800 -21.1813 -142.225 66.5309 -78.3099 -94.2213 -168.811 14.063 -197.307 144.004 PRESSAVG: 4634800 33.7023 -32.2131 10.9888 -32.2131 -15.5155 13.1849 10.9888 13.1849 20.6242 GPRESSAVG: 4634800 33.5331 -30.481 11.0499 -35.0461 -15.8873 10.7424 10.9187 13.7353 21.2205 TIMING: 4634800 CPU: 14958.1, 0.00310741/step Wall: 14958.1, 0.00310741/step, 0.315229 hours remaining, 233.601562 MB of memory in use. ENERGY: 4634800 3884.6191 20403.9507 14540.1646 245.6003 -203755.8947 2742.7794 0.0000 0.0000 51937.6023 -110001.1782 298.4861 -161938.7805 -109638.8192 298.5776 -28.1450 9.5338 760833.4287 12.9370 12.9554 PRESSURE: 4635000 -143.81 94.7545 113.094 94.7547 -207.077 -126.529 113.094 -126.53 219.065 GPRESSURE: 4635000 -51.6678 19.5404 61.5829 30.6198 -236.244 -20.2887 124.112 -109.255 239.525 PRESSAVG: 4635000 18.4128 -19.6201 -12.0237 -19.6201 -45.3629 27.1462 -12.0236 27.1462 -0.512423 GPRESSAVG: 4635000 19.4281 -20.6613 -12.4669 -20.5546 -45.9494 28.9371 -13.0318 27.9093 -0.623554 TIMING: 4635000 CPU: 14958.7, 0.00313108/step Wall: 14958.7, 0.00313108/step, 0.317456 hours remaining, 233.601562 MB of memory in use. ENERGY: 4635000 3930.7269 20470.0702 14438.9554 266.5735 -203871.8237 2783.7749 0.0000 0.0000 52007.1297 -109974.5931 298.8857 -161981.7228 -109623.2162 298.1255 -43.9410 -16.1291 760005.5904 -9.1542 -9.0483 PRESSURE: 4635200 139.114 9.85118 24.6293 9.85074 -123.684 37.554 24.6289 37.5543 -260.153 GPRESSURE: 4635200 145.853 -81.6175 29.2614 18.6887 -136.428 119.528 18.6825 35.5815 -170.569 PRESSAVG: 4635200 29.8865 -77.1081 13.1924 -77.108 -15.7667 39.2173 13.1924 39.2172 15.5042 GPRESSAVG: 4635200 29.359 -79.0383 13.5779 -75.059 -15.4367 39.7353 12.5306 39.1312 15.7954 TIMING: 4635200 CPU: 14959.3, 0.00311961/step Wall: 14959.3, 0.00311961/step, 0.31612 hours remaining, 233.601562 MB of memory in use. ENERGY: 4635200 3989.5555 20626.5559 14485.2826 251.5629 -203471.8600 2484.1211 0.0000 0.0000 51893.0231 -109741.7589 298.2299 -161634.7820 -109379.1499 298.8188 -81.5744 -53.7148 760972.5408 9.8747 9.9059 PRESSURE: 4635400 -216.543 181.772 1.26922 181.771 -289.383 118.691 1.26928 118.69 -108.605 GPRESSURE: 4635400 -198.84 120.223 -35.0995 86.7802 -174.302 134.689 34.9557 51.4397 -152.849 PRESSAVG: 4635400 47.245 22.4971 -5.99802 22.4971 -68.4128 59.736 -5.99801 59.7361 2.01888 GPRESSAVG: 4635400 47.1315 23.3107 -6.43538 20.9565 -68.198 58.6971 -4.666 59.9364 2.17389 TIMING: 4635400 CPU: 14960, 0.00312292/step Wall: 14960, 0.00312292/step, 0.316282 hours remaining, 233.601562 MB of memory in use. ENERGY: 4635400 3901.7999 20440.4284 14398.0157 258.2627 -203339.5580 2510.5564 0.0000 0.0000 52202.6663 -109627.8287 300.0094 -161830.4949 -109274.1287 299.4452 -204.8439 -175.3302 761888.5460 -6.3830 -6.2976 PRESSURE: 4635600 72.8264 80.1188 7.67915 80.1194 57.8279 -81.4138 7.67956 -81.4141 -43.9487 GPRESSURE: 4635600 124.158 46.9638 -52.817 39.6239 71.6485 -70.4936 90.608 -204.683 -29.5358 PRESSAVG: 4635600 -10.2798 -47.1626 -30.5479 -47.1626 9.27267 2.94966 -30.5479 2.94963 -20.7908 GPRESSAVG: 4635600 -9.86264 -47.9778 -29.5789 -44.0286 9.26054 3.34795 -30.99 2.80393 -21.0668 TIMING: 4635600 CPU: 14960.6, 0.00312346/step Wall: 14960.6, 0.00312346/step, 0.316164 hours remaining, 233.601562 MB of memory in use. ENERGY: 4635600 4033.7846 20356.3837 14445.6055 245.8791 -203464.6295 2462.3016 0.0000 0.0000 52069.4481 -109851.2269 299.2438 -161920.6751 -109482.6818 299.1712 28.9018 55.4236 760261.8413 -7.2660 -7.2230 PRESSURE: 4635800 160.058 -1.0407 100.476 -1.04071 -133.924 108.804 100.476 108.804 166.06 GPRESSURE: 4635800 211.906 44.7794 62.4308 2.87199 -34.5555 129.004 71.6537 103.34 100.176 PRESSAVG: 4635800 -18.2095 -27.1284 35.5509 -27.1284 -13.37 25.2869 35.5509 25.2868 24.0766 GPRESSAVG: 4635800 -18.4862 -24.1787 35.5202 -29.8614 -12.9448 24.0936 36.389 24.7823 23.8306 TIMING: 4635800 CPU: 14961.2, 0.00312745/step Wall: 14961.2, 0.00312745/step, 0.316394 hours remaining, 233.601562 MB of memory in use. ENERGY: 4635800 3925.0300 20402.4811 14521.9921 245.9124 -203580.3011 2488.1342 0.0000 0.0000 52141.0114 -109855.7399 299.6551 -161996.7513 -109485.9381 298.4148 64.0647 92.5088 760758.4338 -2.5009 -2.5335 PRESSURE: 4636000 22.5149 -98.73 -9.66816 -98.7303 -5.44001 -12.0803 -9.66811 -12.0794 174.125 GPRESSURE: 4636000 36.7096 -159.943 -35.4122 -72.9808 21.395 32.0977 45.8204 -65.2789 225.997 PRESSAVG: 4636000 31.081 -65.4787 17.3125 -65.4788 -7.3448 1.87063 17.3124 1.87066 -23.3749 GPRESSAVG: 4636000 30.2823 -68.6038 16.1569 -64.8515 -6.71633 2.77162 16.2576 1.00279 -22.7455 TIMING: 4636000 CPU: 14961.8, 0.00312107/step Wall: 14961.8, 0.00312107/step, 0.315575 hours remaining, 233.601562 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: 4636000 3905.0259 20400.9059 14518.2258 259.6962 -203386.2883 2726.3386 0.0000 0.0000 51694.3194 -109881.7765 297.0880 -161576.0959 -109517.5895 298.2357 63.7332 94.7006 761587.4665 0.1204 0.2735 PRESSURE: 4636200 284.171 153.638 5.43859 153.638 303.231 65.8838 5.4384 65.8833 540.031 GPRESSURE: 4636200 355.07 93.4799 -26.6522 163.379 353.54 34.375 41.861 114.267 480.649 PRESSAVG: 4636200 -0.0599099 6.20406 16.0083 6.2041 39.9925 -39.0267 16.0083 -39.0267 25.6018 GPRESSAVG: 4636200 -0.0819369 8.75605 15.5497 5.77054 39.009 -41.0862 15.4101 -38.5423 26.5975 TIMING: 4636200 CPU: 14962.5, 0.00314856/step Wall: 14962.5, 0.00314856/step, 0.318179 hours remaining, 233.601562 MB of memory in use. ENERGY: 4636200 3928.0907 20399.3707 14494.3851 275.9820 -203828.1723 2898.8569 0.0000 0.0000 51839.1361 -109992.3508 297.9202 -161831.4869 -109622.9377 297.8622 375.8109 396.4199 761630.2338 21.8448 21.8415 LDB: ============= START OF LOAD BALANCING ============== 14974.9 LDB: ============== END OF LOAD BALANCING =============== 14974.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14974.9 LDB: ============= START OF LOAD BALANCING ============== 14975.2 LDB: Largest compute 7024 load 0.033675 is 17.2% of average load 0.195563 LDB: Average compute 0.004394 is 2.2% of average load 0.195563 LDB: TIME 14975.2 LOAD: AVG 0.195563 MAX 0.215645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 14975.2 LOAD: AVG 0.195563 MAX 0.215645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.316 MB LDB: TIME 14975.2 LOAD: AVG 0.195563 MAX 0.215645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.316 MB LDB: ============== END OF LOAD BALANCING =============== 14975.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14975.2 PRESSURE: 4636400 -265.191 -58.5233 58.6658 -58.5223 155.709 -83.7622 58.6666 -83.7622 -377.8 GPRESSURE: 4636400 -158.025 12.6516 44.5483 -153.144 144.79 -44.3627 52.7896 -128.714 -392.07 PRESSAVG: 4636400 -12.1768 -3.9191 16.3866 -3.91905 45.678 -1.1703 16.3866 -1.17036 7.48854 GPRESSAVG: 4636400 -10.7249 -4.1049 17.941 -4.85316 45.1723 -0.535164 17.9309 -1.487 6.42486 TIMING: 4636400 CPU: 14963.1, 0.00321175/step Wall: 14963.1, 0.00321175/step, 0.324387 hours remaining, 235.195312 MB of memory in use. ENERGY: 4636400 4028.3308 20516.6065 14440.3751 262.0315 -203815.0722 2724.7678 0.0000 0.0000 51918.9511 -109924.0094 298.3789 -161842.9605 -109565.4625 297.9041 -162.4275 -135.1019 761720.0035 13.6632 13.6241 PRESSURE: 4636600 -48.5396 -113.767 -77.7705 -113.768 -98.4429 69.0937 -77.7702 69.0946 15.5069 GPRESSURE: 4636600 0.0444911 -26.8675 -80.1956 -212.474 -31.1702 180.543 -160.486 37.4152 -7.56802 PRESSAVG: 4636600 -27.3803 -12.5027 9.35809 -12.5026 2.25579 10.7936 9.35804 10.7936 0.0452128 GPRESSAVG: 4636600 -27.3705 -11.264 9.13036 -11.39 2.52349 13.1698 7.3947 11.4148 0.259147 TIMING: 4636600 CPU: 14963.7, 0.00313943/step Wall: 14963.7, 0.00313943/step, 0.316908 hours remaining, 235.652344 MB of memory in use. ENERGY: 4636600 3964.9035 20467.4667 14433.2435 260.1207 -203225.3641 2402.3704 0.0000 0.0000 51925.6454 -109771.6140 298.4174 -161697.2594 -109406.9598 298.3162 -43.8252 -12.8979 761159.3813 -8.3598 -8.1959 PRESSURE: 4636800 18.6068 4.43568 80.9852 4.43603 192.662 75.4422 80.9851 75.442 180.26 GPRESSURE: 4636800 11.8139 -82.7665 33.6288 125.563 299.98 118.392 107.972 -95.0925 151.693 PRESSAVG: 4636800 38.447 -65.1683 -59.9444 -65.1683 -14.247 65.8877 -59.9444 65.8878 3.56389 GPRESSAVG: 4636800 37.6182 -66.7249 -60.0195 -65.1928 -13.433 65.4238 -60.3699 66.7574 3.3013 TIMING: 4636800 CPU: 14964.4, 0.00313967/step Wall: 14964.4, 0.00313967/step, 0.316758 hours remaining, 235.664062 MB of memory in use. ENERGY: 4636800 3913.3949 20568.7166 14473.8934 236.5002 -203878.2355 2816.8333 0.0000 0.0000 51874.7059 -109994.1913 298.1246 -161868.8971 -109635.8338 298.5026 130.5096 154.4954 759368.9117 9.2547 9.1622 PRESSURE: 4637000 -77.0679 -202.219 -6.90782 -202.219 -527.165 -93.0749 -6.90814 -93.0759 -77.27 GPRESSURE: 4637000 -28.0134 -203.763 -47.6339 -292.772 -437.387 -48.3268 58.1204 -173.33 -144.82 PRESSAVG: 4637000 -30.7738 -59.6536 3.7199 -59.6536 10.1759 -5.68405 3.71987 -5.68412 -28.7502 GPRESSAVG: 4637000 -30.9434 -57.7062 2.7991 -58.6654 9.97407 -5.54059 6.38085 -8.64228 -28.1585 TIMING: 4637000 CPU: 14965, 0.00313971/step Wall: 14965, 0.00313971/step, 0.316587 hours remaining, 235.664062 MB of memory in use. ENERGY: 4637000 3928.2412 20489.3517 14447.1658 248.9408 -203766.4195 2385.7658 0.0000 0.0000 51937.4057 -110329.5485 298.4850 -162266.9542 -109973.9606 298.0960 -227.1678 -203.4069 762232.8985 -16.4494 -16.3759 PRESSURE: 4637200 -33.2684 79.1793 89.4036 79.1788 6.31841 -119.519 89.404 -119.519 -258.314 GPRESSURE: 4637200 57.5829 -25.4234 41.8058 87.3755 17.9501 -51.6005 95.3916 -148.891 -247.431 PRESSAVG: 4637200 15.325 -47.5615 5.90083 -47.5615 10.3242 -3.62741 5.90084 -3.62734 3.7457 GPRESSAVG: 4637200 15.0799 -49.7095 6.52509 -46.6076 10.8332 -3.45516 4.17487 -1.09967 3.82721 TIMING: 4637200 CPU: 14965.6, 0.00311503/step Wall: 14965.6, 0.00311503/step, 0.313926 hours remaining, 235.664062 MB of memory in use. ENERGY: 4637200 3962.4446 20609.3213 14517.8601 210.3961 -203764.5204 2819.3566 0.0000 0.0000 51552.8304 -110092.3112 296.2748 -161645.1416 -109745.9919 297.6821 -95.0881 -57.2992 760744.1167 9.7983 9.9134 PRESSURE: 4637400 -0.42364 -11.5535 -97.0421 -11.5538 93.0819 141.062 -97.042 141.063 -56.6356 GPRESSURE: 4637400 89.4729 202.878 -190.115 -8.71234 63.9059 137.258 48.7675 169.73 -27.67 PRESSAVG: 4637400 25.221 -17.1186 -8.4717 -17.1187 -13.9839 -19.1453 -8.47176 -19.1453 11.7963 GPRESSAVG: 4637400 26.3077 -14.6341 -8.21753 -19.0758 -14.7002 -22.6765 -8.27377 -16.6589 11.7036 TIMING: 4637400 CPU: 14966.2, 0.00313602/step Wall: 14966.2, 0.00313602/step, 0.315867 hours remaining, 235.734375 MB of memory in use. ENERGY: 4637400 3974.7889 20578.1128 14471.0834 263.5589 -203677.3659 2634.3428 0.0000 0.0000 51861.4481 -109894.0310 298.0485 -161755.4791 -109527.8223 297.8773 12.0076 41.9029 761292.8566 7.6778 7.7704 PRESSURE: 4637600 170.113 97.2116 73.6486 97.2115 -159.759 367.628 73.6491 367.628 -54.0302 GPRESSURE: 4637600 272.194 81.5883 75.7199 40.5948 -151.238 458.188 -3.69297 353.51 -76.7032 PRESSAVG: 4637600 -18.5572 16.5908 0.758145 16.5908 19.6709 34.9772 0.75818 34.9772 -24.0024 GPRESSAVG: 4637600 -18.2968 14.9874 0.364018 18.0598 19.4944 36.6186 1.42185 34.4665 -23.6899 TIMING: 4637600 CPU: 14966.9, 0.00313764/step Wall: 14966.9, 0.00313764/step, 0.315855 hours remaining, 235.734375 MB of memory in use. ENERGY: 4637600 3993.8968 20532.5362 14536.8634 249.7322 -203420.2881 2387.2810 0.0000 0.0000 51851.4003 -109868.5783 297.9907 -161719.9786 -109503.3685 298.2553 -14.5588 14.7509 761504.7875 -7.6296 -7.4974 PRESSURE: 4637800 129.086 28.7072 43.6867 28.7074 -123.2 -35.6858 43.6879 -35.6868 79.9768 GPRESSURE: 4637800 142.935 -59.1692 -22.0672 16.8911 -51.9119 -18.3601 -32.8249 -125.366 59.9275 PRESSAVG: 4637800 -11.2182 -41.0462 13.5968 -41.0462 -18.7777 -0.478965 13.5968 -0.478951 -24.6875 GPRESSAVG: 4637800 -12.597 -40.8379 14.3601 -41.1687 -16.1966 -0.837099 12.1805 -3.21718 -25.2596 TIMING: 4637800 CPU: 14967.5, 0.00313967/step Wall: 14967.5, 0.00313967/step, 0.315886 hours remaining, 235.734375 MB of memory in use. ENERGY: 4637800 4013.4444 20554.7644 14433.1856 255.0998 -203358.5381 2416.2630 0.0000 0.0000 51877.1271 -109808.6538 298.1386 -161685.7809 -109437.5995 298.5645 28.6210 50.3169 760976.2902 -18.2278 -18.0178 PRESSURE: 4638000 -84.9635 -52.3301 421.389 -52.3299 36.0132 -7.19765 421.39 -7.19782 -49.3943 GPRESSURE: 4638000 -18.8594 -114.832 394.504 -32.2217 32.1976 -23.0588 340.408 -24.2778 -15.9097 PRESSAVG: 4638000 80.0441 -7.30277 87.0592 -7.30277 -25.8496 -5.90006 87.0591 -5.9 2.12341 GPRESSAVG: 4638000 81.0078 -7.31524 86.0775 -7.49494 -27.3199 -4.33568 88.6452 -7.08203 2.99419 TIMING: 4638000 CPU: 14968.1, 0.00314502/step Wall: 14968.1, 0.00314502/step, 0.316249 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4638000 4063.7171 20589.1488 14475.5355 233.9972 -203814.4576 2694.6588 0.0000 0.0000 51970.7959 -109786.6043 298.6769 -161757.4002 -109429.8413 298.6612 -32.7815 -0.8571 760056.3585 18.7727 18.8940 PRESSURE: 4638200 244.651 3.23786 -124.328 3.23748 -77.9789 138.757 -124.328 138.757 226.291 GPRESSURE: 4638200 228.494 113.18 -88.8993 -115.488 7.62897 158.18 -214.897 89.3527 216.795 PRESSAVG: 4638200 31.806 34.8726 27.8975 34.8725 -50.8943 -19.3431 27.8975 -19.3431 0.561021 GPRESSAVG: 4638200 30.964 36.4141 28.6458 35.3041 -50.7501 -19.129 25.3733 -19.0644 0.671701 TIMING: 4638200 CPU: 14968.8, 0.0031234/step Wall: 14968.8, 0.0031234/step, 0.313902 hours remaining, 235.734375 MB of memory in use. ENERGY: 4638200 3955.9995 20570.6619 14519.6608 267.2037 -203755.4284 2686.6642 0.0000 0.0000 52078.7873 -109676.4510 299.2975 -161755.2383 -109318.0309 298.6788 130.9875 150.9725 759798.9177 -6.1757 -6.3715 PRESSURE: 4638400 353.569 59.038 -137.776 59.038 -124.924 85.5544 -137.778 85.5539 86.1052 GPRESSURE: 4638400 377.799 -48.6297 -197.605 162.68 -86.0191 28.8589 -8.12835 27.3285 93.4577 PRESSAVG: 4638400 63.6469 -39.3572 56.9894 -39.3571 -48.0831 -70.1811 56.9894 -70.1811 -25.0033 GPRESSAVG: 4638400 64.2247 -41.5304 56.2712 -38.4994 -47.7987 -70.7038 59.8597 -69.3534 -25.5141 TIMING: 4638400 CPU: 14969.4, 0.00313178/step Wall: 14969.4, 0.00313178/step, 0.314569 hours remaining, 235.734375 MB of memory in use. ENERGY: 4638400 3983.4807 20488.4125 14546.1573 242.4083 -203327.1385 2426.8248 0.0000 0.0000 52040.4293 -109599.4256 299.0771 -161639.8549 -109235.1306 298.8776 104.9170 128.4124 759210.0662 -3.1465 -3.0293 PRESSURE: 4638600 342.253 -138.871 -75.5563 -138.871 290.541 -63.3033 -75.5565 -63.3029 230.587 GPRESSURE: 4638600 340.897 -216.713 -84.5655 -124.782 301.221 -22.4664 -105.79 132.985 305.428 PRESSAVG: 4638600 14.7755 -12.6792 19.8322 -12.6793 -50.5823 -4.51856 19.8322 -4.51854 -14.4812 GPRESSAVG: 4638600 15.3659 -11.476 20.2242 -14.4293 -51.0188 -3.14509 19.981 -3.15365 -14.4179 TIMING: 4638600 CPU: 14970, 0.00312378/step Wall: 14970, 0.00312378/step, 0.313593 hours remaining, 235.734375 MB of memory in use. ENERGY: 4638600 4034.2099 20494.5124 14534.3307 233.3681 -203500.3432 2837.0339 0.0000 0.0000 52072.9226 -109293.9656 299.2638 -161366.8882 -108939.8649 299.4643 287.7939 315.8483 758594.9443 -16.7627 -16.6903 PRESSURE: 4638800 51.2249 -28.7539 43.3629 -28.7544 183.409 10.2728 43.3626 10.2738 -129.938 GPRESSURE: 4638800 117.144 -17.4908 -54.3419 35.0226 175.774 6.31138 111.303 49.3091 -117.215 PRESSAVG: 4638800 64.6199 -61.0174 -38.2597 -61.0174 -23.6877 -33.6845 -38.2597 -33.6845 -12.7738 GPRESSAVG: 4638800 64.5289 -62.3553 -41.1682 -59.1569 -22.703 -34.4278 -37.4948 -34.3641 -13.1013 TIMING: 4638800 CPU: 14970.6, 0.00312853/step Wall: 14970.6, 0.00312853/step, 0.313895 hours remaining, 235.734375 MB of memory in use. ENERGY: 4638800 3942.0008 20511.8600 14533.1176 259.9113 -203379.5156 2545.1712 0.0000 0.0000 52161.4406 -109426.0140 299.7725 -161587.4546 -109063.8629 299.2729 34.8988 58.5678 760781.1165 9.3861 9.5748 PRESSURE: 4639000 -201.836 -100.137 -155.984 -100.137 -31.1102 -55.5446 -155.984 -55.5458 -26.1128 GPRESSURE: 4639000 -150.753 -97.3762 -68.1259 8.5955 -97.8523 -46.7332 -240.465 -134.172 49.2805 PRESSAVG: 4639000 6.63344 7.85396 9.02904 7.85399 11.812 1.35893 9.02902 1.35894 20.1996 GPRESSAVG: 4639000 5.94328 10.0211 10.8206 7.93131 12.1512 0.565061 7.03292 -0.0142824 20.4887 TIMING: 4639000 CPU: 14971.3, 0.00312873/step Wall: 14971.3, 0.00312873/step, 0.313742 hours remaining, 235.734375 MB of memory in use. ENERGY: 4639000 3960.4551 20704.3974 14466.4364 276.3669 -203478.9882 2635.5818 0.0000 0.0000 51856.6311 -109579.1195 298.0208 -161435.7506 -109231.2923 299.3174 -86.3529 -66.4415 758908.3021 12.8817 12.8611 PRESSURE: 4639200 -370.931 29.0943 64.8176 29.0947 -397.652 -62.0391 64.8171 -62.0386 231.616 GPRESSURE: 4639200 -275.815 84.0669 8.39878 45.1449 -324.906 -75.8596 190.528 -65.7352 126.944 PRESSAVG: 4639200 -7.44809 2.39889 -5.03619 2.39881 2.4322 15.4495 -5.03626 15.4494 -10.3535 GPRESSAVG: 4639200 -7.53071 2.29928 -4.9889 2.74393 1.60861 15.0385 -4.99442 17.7763 -9.49754 TIMING: 4639200 CPU: 14971.9, 0.00311074/step Wall: 14971.9, 0.00311074/step, 0.311765 hours remaining, 235.734375 MB of memory in use. ENERGY: 4639200 4007.1771 20408.3322 14501.6197 243.9424 -203235.2538 2387.1066 0.0000 0.0000 52198.1962 -109488.8795 299.9838 -161687.0758 -109105.5660 299.7901 -178.9890 -157.9255 760026.5612 -5.1231 -5.1399 PRESSURE: 4639400 -39.7746 173.194 -56.757 173.193 -116.685 -275.798 -56.7569 -275.797 -167.754 GPRESSURE: 4639400 28.7005 115.929 -65.0561 100.465 -171.118 -223.441 -194.467 -181.332 -101.133 PRESSAVG: 4639400 21.9408 21.3089 12.3477 21.3088 -25.349 19.3275 12.3478 19.3275 -19.1302 GPRESSAVG: 4639400 23.2976 19.9337 12.5412 19.5747 -25.8778 19.78 14.0191 18.2844 -19.4205 TIMING: 4639400 CPU: 14972.5, 0.00308402/step Wall: 14972.5, 0.00308402/step, 0.308916 hours remaining, 235.734375 MB of memory in use. ENERGY: 4639400 4040.6926 20485.5010 14496.6825 243.2749 -203252.5639 2468.7031 0.0000 0.0000 52006.6248 -109511.0851 298.8828 -161517.7099 -109150.8614 299.4016 -108.0713 -81.1837 759458.1762 -7.5128 -7.3336 PRESSURE: 4639600 59.1305 -64.6862 23.0665 -64.6861 251.964 22.7714 23.0657 22.7718 -108.762 GPRESSURE: 4639600 78.7582 -100.768 3.76206 -130.333 289.423 -2.21061 -126.827 84.9727 -74.193 PRESSAVG: 4639600 39.1496 0.786318 -88.0205 0.786355 12.8807 -2.71107 -88.0205 -2.71115 22.6827 GPRESSAVG: 4639600 39.2352 3.2852 -88.9004 3.10796 13.8027 -2.26076 -88.7379 -0.783334 21.6596 TIMING: 4639600 CPU: 14973.1, 0.00310763/step Wall: 14973.1, 0.00310763/step, 0.311109 hours remaining, 235.734375 MB of memory in use. ENERGY: 4639600 4021.4706 20589.0252 14457.5263 249.7499 -203538.7170 2586.6870 0.0000 0.0000 52015.1374 -109619.1206 298.9317 -161634.2580 -109255.2922 299.5175 67.4443 97.9960 760560.9983 24.9043 24.8992 PRESSURE: 4639800 -145.974 -17.3537 107.415 -17.3543 -53.8525 -53.865 107.414 -53.8664 -291.476 GPRESSURE: 4639800 -35.9059 -7.83459 33.9398 -58.1659 -122.344 -27.1119 85.5672 -39.968 -231.695 PRESSAVG: 4639800 1.79667 -41.3386 -6.37405 -41.3386 -13.9752 54.0451 -6.37411 54.0451 2.5755 GPRESSAVG: 4639800 0.512136 -42.8501 -5.63944 -42.9745 -12.8865 53.5076 -4.35772 52.8495 2.4565 TIMING: 4639800 CPU: 14973.7, 0.00310837/step Wall: 14973.7, 0.00310837/step, 0.31101 hours remaining, 235.734375 MB of memory in use. ENERGY: 4639800 4009.0972 20618.8526 14484.8557 227.9620 -203238.5856 2423.0156 0.0000 0.0000 51916.0238 -109558.7786 298.3621 -161474.8024 -109193.6584 299.3369 -163.7673 -129.9819 760500.1299 -3.2010 -3.3059 PRESSURE: 4640000 -320.906 -148.419 -67.169 -148.419 -65.5569 -189.207 -67.1686 -189.207 -247.416 GPRESSURE: 4640000 -276.462 -109.877 -61.7399 -142.205 -45.7213 -128.969 52.1844 -204.276 -220.661 PRESSAVG: 4640000 -5.91262 -66.6617 6.88169 -66.6617 -3.88901 -9.01655 6.88174 -9.01656 -12.9986 GPRESSAVG: 4640000 -4.48951 -66.2588 5.62996 -65.7607 -4.40704 -8.78735 6.1594 -10.2277 -13.2213 TIMING: 4640000 CPU: 14974.4, 0.00312058/step Wall: 14974.4, 0.00312058/step, 0.312058 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4640000 3976.5715 20824.1351 14413.9353 240.6157 -203246.1852 2383.8108 0.0000 0.0000 51992.5602 -109414.5565 298.8020 -161407.1167 -109050.3049 299.6558 -211.2928 -180.9483 760509.9608 -7.6001 -7.3726 PRESSURE: 4640200 -48.1712 87.8253 280.71 87.8254 -53.1753 379.182 280.71 379.182 -65.1589 GPRESSURE: 4640200 -27.2905 -53.9578 304.037 73.8966 -11.4909 341.903 255.647 303.337 -51.9807 PRESSAVG: 4640200 27.2103 38.5445 -32.4561 38.5444 9.27592 0.718302 -32.4561 0.718217 -1.80225 GPRESSAVG: 4640200 27.1107 37.8377 -30.8103 37.9713 9.59263 0.491149 -32.1377 2.37589 -2.42278 TIMING: 4640200 CPU: 14975, 0.0031286/step Wall: 14975, 0.0031286/step, 0.312686 hours remaining, 235.734375 MB of memory in use. ENERGY: 4640200 3971.2737 20799.7648 14448.6872 235.9717 -202843.4774 2185.7381 0.0000 0.0000 51837.9241 -109364.1178 297.9133 -161202.0420 -109003.1062 299.0390 -55.5018 -30.2540 760017.3586 11.5613 11.4268 LDB: ============= START OF LOAD BALANCING ============== 14987.4 LDB: ============== END OF LOAD BALANCING =============== 14987.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14987.4 LDB: ============= START OF LOAD BALANCING ============== 14987.7 LDB: Largest compute 7024 load 0.036979 is 18.9% of average load 0.195579 LDB: Average compute 0.004395 is 2.2% of average load 0.195579 LDB: TIME 14987.7 LOAD: AVG 0.195579 MAX 0.213722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.066 MB LDB: TIME 14987.7 LOAD: AVG 0.195579 MAX 0.213722 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.07 MB LDB: TIME 14987.7 LOAD: AVG 0.195579 MAX 0.213722 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.07 MB LDB: ============== END OF LOAD BALANCING =============== 14987.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14987.7 PRESSURE: 4640400 -241.134 -277.459 -218.922 -277.459 -41.7874 96.1616 -218.922 96.1605 327.836 GPRESSURE: 4640400 -155.139 -282.273 -218.233 -263.262 -10.8087 94.6897 -282.363 161.187 280.668 PRESSAVG: 4640400 -27.5186 -58.8746 -17.6834 -58.8746 43.1392 36.2519 -17.6834 36.252 -24.865 GPRESSAVG: 4640400 -28.0986 -57.4547 -18.1416 -58.1944 42.6062 36.1777 -18.8354 35.2955 -23.8948 TIMING: 4640400 CPU: 14975.6, 0.00321131/step Wall: 14975.6, 0.0032113/step, 0.320774 hours remaining, 235.046875 MB of memory in use. ENERGY: 4640400 4025.8810 20669.2993 14449.2701 240.5695 -202912.2412 2258.2235 0.0000 0.0000 51986.7924 -109282.2053 298.7688 -161268.9977 -108925.8663 299.9184 14.9714 38.2400 759989.9895 -3.0814 -3.1291 PRESSURE: 4640600 -6.42425 10.8486 -119.556 10.8492 62.8711 -146.814 -119.556 -146.814 466.071 GPRESSURE: 4640600 14.9062 -23.0703 -59.4567 -26.6945 72.4423 -194.233 15.255 -107.831 515.564 PRESSAVG: 4640600 -4.84287 -49.3728 -14.6818 -49.3728 -21.239 28.1353 -14.6818 28.1353 -5.44294 GPRESSAVG: 4640600 -5.11161 -51.3135 -14.6358 -47.1893 -20.5496 27.398 -14.557 28.114 -6.12602 TIMING: 4640600 CPU: 14976.3, 0.00314026/step Wall: 14976.3, 0.00314026/step, 0.313503 hours remaining, 235.503906 MB of memory in use. ENERGY: 4640600 4045.5724 20581.5151 14498.4131 222.1575 -203012.6274 2256.9998 0.0000 0.0000 52018.2807 -109389.6888 298.9498 -161407.9695 -109025.5606 299.3884 174.1725 200.9708 759541.8839 -10.5083 -10.5958 PRESSURE: 4640800 243.746 65.6806 95.6559 65.6809 -256.559 325.271 95.6558 325.271 -256.018 GPRESSURE: 4640800 243.308 99.8467 84.8181 157.342 -178.152 392.236 86.4472 224.324 -240.822 PRESSAVG: 4640800 -32.5331 -18.6436 -4.14637 -18.6436 65.6597 8.53642 -4.14634 8.53638 -3.92912 GPRESSAVG: 4640800 -30.9205 -16.0309 -5.09583 -20.7549 64.2571 8.30964 -4.17841 10.8282 -3.71684 TIMING: 4640800 CPU: 14976.9, 0.00312478/step Wall: 14976.9, 0.00312478/step, 0.311784 hours remaining, 235.777344 MB of memory in use. ENERGY: 4640800 4016.8858 20717.5103 14444.5704 251.1403 -202956.6041 2243.6232 0.0000 0.0000 52176.7948 -109106.0793 299.8608 -161282.8741 -108744.1673 299.7955 -89.6104 -58.5556 760239.9659 9.7325 9.8733 PRESSURE: 4641000 -68.4992 -54.0779 -209.049 -54.0774 -140.687 -10.7474 -209.051 -10.7479 -98.8618 GPRESSURE: 4641000 -24.4967 -67.2031 -289.54 -129.402 -65.6267 52.65 -128.3 -113.95 -123.336 PRESSAVG: 4641000 -54.9124 -27.2784 39.5966 -27.2783 26.3838 21.5881 39.5966 21.588 -8.93051 GPRESSAVG: 4641000 -56.9007 -26.6832 42.4219 -27.5105 27.6359 21.9122 38.9121 21.1766 -8.58815 TIMING: 4641000 CPU: 14977.5, 0.0031244/step Wall: 14977.5, 0.0031244/step, 0.311572 hours remaining, 235.789062 MB of memory in use. ENERGY: 4641000 4022.7876 20573.3009 14485.2337 244.2878 -202920.5854 2463.2063 0.0000 0.0000 52270.9737 -108860.7953 300.4020 -161131.7690 -108494.7509 300.3297 -102.6828 -71.1531 761696.6076 -12.4864 -12.6176 PRESSURE: 4641200 -73.1467 142.539 -107.378 142.538 215.581 -99.0507 -107.378 -99.0511 -696.239 GPRESSURE: 4641200 7.75211 93.0212 -101.966 104.559 153.001 -39.3421 -33.6283 -89.3724 -625.405 PRESSAVG: 4641200 37.8225 -29.859 -4.14826 -29.859 -0.581991 -8.31619 -4.14827 -8.31609 9.22291 GPRESSAVG: 4641200 38.1971 -30.0193 -6.27808 -29.7031 -1.51027 -6.20222 -4.17721 -10.0848 10.0667 TIMING: 4641200 CPU: 14978.1, 0.00312466/step Wall: 14978.1, 0.00312466/step, 0.311425 hours remaining, 235.789062 MB of memory in use. ENERGY: 4641200 3994.1431 20552.3830 14401.5141 238.9405 -203101.0338 2520.3226 0.0000 0.0000 52374.4270 -109019.3035 300.9966 -161393.7305 -108658.5799 300.6510 -184.6015 -154.8839 761760.4495 15.4878 15.5845 PRESSURE: 4641400 70.4037 -191.923 -95.5185 -191.923 -178.198 -10.3577 -95.5194 -10.3575 -104.086 GPRESSURE: 4641400 89.1618 -157.561 -149.27 -154.371 -48.1887 -57.7567 -125.936 12.3565 -155.702 PRESSAVG: 4641400 6.79717 -20.0311 -60.7955 -20.0311 -0.619539 44.1334 -60.7956 44.1333 -7.10668 GPRESSAVG: 4641400 7.40565 -22.3389 -60.8242 -17.2471 -0.433952 42.2676 -61.565 44.1146 -7.45613 TIMING: 4641400 CPU: 14978.8, 0.00312725/step Wall: 14978.8, 0.00312725/step, 0.311508 hours remaining, 235.789062 MB of memory in use. ENERGY: 4641400 4086.5740 20531.2147 14487.0229 245.9919 -203133.3443 2651.2796 0.0000 0.0000 52059.2473 -109072.0139 299.1852 -161131.2612 -108708.3762 300.1743 -70.6269 -38.2429 760953.6911 -0.3097 -0.1615 PRESSURE: 4641600 -321.202 4.93958 -202.836 4.93871 -93.1743 -7.6893 -202.836 -7.6885 -402.009 GPRESSURE: 4641600 -381.744 -130.502 -274.221 74.1776 -32.688 33.4419 -258.992 49.8107 -328.451 PRESSAVG: 4641600 -28.5312 -21.2846 11.5904 -21.2846 22.5544 31.8534 11.5904 31.8534 8.51184 GPRESSAVG: 4641600 -29.3733 -19.2185 12.5293 -25.1245 22.5772 32.0258 11.2725 32.3285 9.05058 TIMING: 4641600 CPU: 14979.4, 0.00310329/step Wall: 14979.4, 0.00310329/step, 0.30895 hours remaining, 235.789062 MB of memory in use. ENERGY: 4641600 3995.4006 20655.4725 14449.2545 268.9063 -202519.3524 2091.6354 0.0000 0.0000 51941.9276 -109116.7554 298.5110 -161058.6831 -108764.6202 299.1171 -272.1284 -247.6276 761415.9813 0.8450 0.7515 PRESSURE: 4641800 -15.3167 55.29 229.735 55.2896 -317.885 146.129 229.735 146.129 461.615 GPRESSURE: 4641800 6.93385 57.5556 194.899 46.6804 -273.659 85.6517 225.038 28.1059 439.674 PRESSAVG: 4641800 17.8156 -19.4672 38.979 -19.4672 -16.6462 30.3933 38.979 30.3933 20.0182 GPRESSAVG: 4641800 18.1503 -20.7488 39.0051 -18.9725 -16.1465 30.3198 39.6522 30.6147 18.9115 TIMING: 4641800 CPU: 14980, 0.00312043/step Wall: 14980, 0.00312043/step, 0.310483 hours remaining, 235.789062 MB of memory in use. ENERGY: 4641800 3886.4909 20572.2634 14537.8163 250.1679 -203344.1912 2490.4134 0.0000 0.0000 52599.2380 -109007.8013 302.2885 -161607.0393 -108631.9906 300.2247 42.8045 57.6496 760609.8799 7.0625 6.9718 PRESSURE: 4642000 180.703 -141.237 -221.093 -141.236 20.5173 51.367 -221.092 51.3675 -66.0825 GPRESSURE: 4642000 188.101 -86.3701 -159.569 -131.51 146.546 21.6776 -203.763 7.03542 -123.253 PRESSAVG: 4642000 -26.6835 -66.7689 -12.7611 -66.7689 11.4182 -2.27038 -12.7612 -2.27044 -18.1735 GPRESSAVG: 4642000 -26.8268 -66.1387 -13.3353 -66.383 12.2379 -3.73463 -12.0059 -5.30612 -18.95 TIMING: 4642000 CPU: 14980.6, 0.0031252/step Wall: 14980.6, 0.0031252/step, 0.310784 hours remaining, 235.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4642000 4061.0279 20615.5856 14531.9548 259.1347 -203503.5925 2710.7777 0.0000 0.0000 52132.1923 -109192.9194 299.6044 -161325.1117 -108838.9825 299.6152 45.0460 70.4645 761337.1193 -11.1463 -11.1796 PRESSURE: 4642200 24.8022 -113.757 125.987 -113.757 81.2046 37.6288 125.986 37.6289 121.481 GPRESSURE: 4642200 119.68 -150.233 94.975 -181.644 134.739 -19.9339 183.139 127.671 69.3363 PRESSAVG: 4642200 -3.17145 -50.7869 1.72434 -50.787 13.2629 3.59654 1.72429 3.59649 40.9754 GPRESSAVG: 4642200 -2.38773 -51.5949 2.48298 -50.3091 11.4462 5.80944 0.941875 6.0545 41.832 TIMING: 4642200 CPU: 14981.3, 0.00314322/step Wall: 14981.3, 0.00314322/step, 0.312401 hours remaining, 235.789062 MB of memory in use. ENERGY: 4642200 4003.7367 20577.0244 14548.2898 243.7498 -203255.2088 2719.2403 0.0000 0.0000 51937.1752 -109225.9926 298.4837 -161163.1678 -108865.5917 299.3654 75.8292 107.9185 760452.1791 17.0223 16.9635 PRESSURE: 4642400 312.876 -185.494 220.575 -185.493 -3.98276 12.4729 220.575 12.4725 -32.1701 GPRESSURE: 4642400 305.211 -89.0335 211.76 -176.19 97.6738 80.6262 313.146 82.6612 -32.6479 PRESSAVG: 4642400 37.3091 -75.5687 9.95055 -75.5686 32.5267 21.5762 9.95052 21.5762 -42.2396 GPRESSAVG: 4642400 37.8354 -76.7261 9.31519 -74.5182 33.2948 21.8013 10.0604 22.7609 -43.3508 TIMING: 4642400 CPU: 14981.9, 0.00315309/step Wall: 14981.9, 0.00315309/step, 0.313207 hours remaining, 235.789062 MB of memory in use. ENERGY: 4642400 4050.7189 20463.4819 14510.3164 257.4964 -203383.1364 2748.8192 0.0000 0.0000 52077.1843 -109275.1194 299.2883 -161352.3037 -108923.9680 299.7467 92.2410 123.4124 761064.9743 9.1988 9.2598 PRESSURE: 4642600 96.1133 29.5142 -75.6163 29.5144 29.3663 -79.9271 -75.6159 -79.9261 46.691 GPRESSURE: 4642600 149.521 69.0873 -113.01 18.1159 101.057 -91.7865 -72.9702 -4.24433 6.16641 PRESSAVG: 4642600 56.9372 3.64988 -5.96481 3.64992 -16.7867 -60.8668 -5.96481 -60.8668 14.5275 GPRESSAVG: 4642600 56.8411 3.77818 -5.40551 4.19257 -16.9933 -61.8256 -5.5017 -60.3622 15.3452 TIMING: 4642600 CPU: 14982.5, 0.0031248/step Wall: 14982.5, 0.0031248/step, 0.310223 hours remaining, 235.789062 MB of memory in use. ENERGY: 4642600 4015.5102 20432.9197 14488.6105 227.6709 -203241.7270 2625.3762 0.0000 0.0000 51936.7978 -109514.8418 298.4815 -161451.6395 -109145.7340 299.4846 57.3902 85.5814 763383.4396 18.2260 18.3977 PRESSURE: 4642800 -329.65 0.201083 86.6357 0.200317 -106.912 -59.7117 86.6358 -59.7111 -38.9796 GPRESSURE: 4642800 -219.561 -137.186 58.8607 -16.8547 -145.347 -69.4226 138.871 -167.667 -19.5936 PRESSAVG: 4642800 39.3024 46.8795 1.23787 46.8794 -66.1245 -75.6593 1.23791 -75.6592 20.9294 GPRESSAVG: 4642800 39.2972 47.7969 1.46505 45.3957 -65.8078 -75.2853 -0.591837 -76.9852 21.0843 TIMING: 4642800 CPU: 14983.1, 0.00313589/step Wall: 14983.1, 0.00313589/step, 0.31115 hours remaining, 235.789062 MB of memory in use. ENERGY: 4642800 4008.1797 20543.0651 14398.5066 258.1753 -203633.2415 2461.1581 0.0000 0.0000 52314.3809 -109649.7758 300.6515 -161964.1568 -109296.9534 298.8519 -158.5139 -128.1673 762229.9809 -1.9642 -1.8087 PRESSURE: 4643000 -201.609 -32.0419 10.8964 -32.0409 -153.971 -193.629 10.8963 -193.628 68.5088 GPRESSURE: 4643000 -48.3743 -128.397 -40.1925 53.8712 -139.838 -280.999 -22.1337 -145.41 -7.31838 PRESSAVG: 4643000 72.446 2.15275 13.1211 2.15277 -44.7142 -27.8429 13.1212 -27.8429 -29.7255 GPRESSAVG: 4643000 72.2908 0.874128 11.4621 3.34293 -45.3528 -27.9842 14.3862 -28.588 -29.0184 TIMING: 4643000 CPU: 14983.8, 0.00314078/step Wall: 14983.8, 0.00314078/step, 0.311461 hours remaining, 235.992188 MB of memory in use. ENERGY: 4643000 3919.9285 20637.4623 14425.3051 262.1952 -203050.4523 2073.7779 0.0000 0.0000 52009.0090 -109722.7742 298.8965 -161731.7832 -109348.7299 298.6700 -95.6905 -65.1768 761292.0138 -0.6646 -0.6934 PRESSURE: 4643200 -93.9535 -125.637 -61.3882 -125.637 -75.9477 -15.7382 -61.3876 -15.7387 -59.7656 GPRESSURE: 4643200 -88.9825 -43.9051 -112.5 -215.136 39.9661 138.966 3.02377 34.7611 -102.136 PRESSAVG: 4643200 -9.11779 -25.0978 -63.6323 -25.0978 0.283397 -21.0479 -63.6323 -21.0479 -16.7253 GPRESSAVG: 4643200 -8.76634 -22.7943 -61.9821 -24.9993 1.77658 -21.5385 -63.3029 -20.5209 -18.7696 TIMING: 4643200 CPU: 14984.4, 0.00312573/step Wall: 14984.4, 0.00312573/step, 0.309795 hours remaining, 235.992188 MB of memory in use. ENERGY: 4643200 3982.2843 20262.7016 14550.1161 233.2692 -203530.3004 2813.3801 0.0000 0.0000 51987.4491 -109701.1000 298.7726 -161688.5491 -109337.7881 298.9416 -76.5556 -50.3840 762127.0906 -8.5199 -8.5865 PRESSURE: 4643400 -66.2977 24.4312 -254.472 24.4312 -39.7381 160.357 -254.473 160.358 -632.442 GPRESSURE: 4643400 -52.3868 -43.7596 -189.497 -5.23537 2.07097 191.939 -171.563 8.2418 -611.358 PRESSAVG: 4643400 -16.7406 -70.478 -9.00007 -70.478 17.0486 -12.616 -9.00005 -12.6159 -9.77806 GPRESSAVG: 4643400 -17.5904 -72.6855 -8.77017 -73.4569 16.1397 -11.679 -7.92037 -14.0719 -7.65752 TIMING: 4643400 CPU: 14985, 0.00310289/step Wall: 14985, 0.00310289/step, 0.307359 hours remaining, 235.992188 MB of memory in use. ENERGY: 4643400 3972.0292 20351.3151 14477.4942 229.2455 -202972.7141 2247.0885 0.0000 0.0000 52080.5258 -109615.0159 299.3075 -161695.5417 -109249.7204 298.4963 -246.1594 -220.5580 762214.9120 -3.1567 -3.0361 PRESSURE: 4643600 203.61 123.046 -63.2158 123.046 44.6318 -279.015 -63.216 -279.015 -225.292 GPRESSURE: 4643600 130.461 160.864 -124.978 86.4086 81.12 -338.516 -80.5383 -182.758 -129.729 PRESSAVG: 4643600 5.65143 -60.0235 8.00464 -60.0235 22.803 -13.2574 8.00462 -13.2575 3.37681 GPRESSAVG: 4643600 6.07618 -58.3594 7.43068 -58.757 22.8745 -14.3255 5.21531 -10.6819 2.67312 TIMING: 4643600 CPU: 14985.6, 0.00313358/step Wall: 14985.6, 0.00313358/step, 0.310224 hours remaining, 235.992188 MB of memory in use. ENERGY: 4643600 3937.9827 20664.4571 14518.3903 247.7850 -203079.7871 2508.3068 0.0000 0.0000 51587.9867 -109614.8785 296.4769 -161202.8652 -109260.0596 298.4791 7.6500 27.2842 760814.6929 10.6104 10.5413 PRESSURE: 4643800 -194.356 80.453 148.311 80.4524 -291.801 47.9932 148.311 47.9933 249.407 GPRESSURE: 4643800 -81.3138 2.56747 158.797 -44.1469 -249.668 -3.60469 194.136 -43.7049 194.124 PRESSAVG: 4643800 -19.9893 -23.7009 -2.12002 -23.7009 11.5512 41.5131 -2.12001 41.5131 29.1917 GPRESSAVG: 4643800 -19.5046 -24.4826 -2.84195 -23.0103 10.8595 40.0183 -0.164562 40.3205 29.0411 TIMING: 4643800 CPU: 14986.3, 0.0031264/step Wall: 14986.3, 0.0031264/step, 0.30934 hours remaining, 235.992188 MB of memory in use. ENERGY: 4643800 3961.6877 20485.6034 14558.4803 250.3978 -203567.0989 2778.4425 0.0000 0.0000 51859.9393 -109672.5479 298.0398 -161532.4872 -109327.4151 298.5826 -78.9165 -45.6192 761421.2910 6.9179 6.7987 PRESSURE: 4644000 -312.737 -23.1656 -29.3009 -23.1654 -50.2821 111.347 -29.3007 111.348 133.868 GPRESSURE: 4644000 -138.954 -29.2865 -98.5774 34.442 -70.8925 105.093 -32.9421 67.2197 80.5398 PRESSAVG: 4644000 -20.9895 -98.7823 57.7722 -98.7823 -2.05241 -39.0552 57.7722 -39.0552 -21.4421 GPRESSAVG: 4644000 -21.5655 -98.2555 58.3049 -98.3759 -1.28149 -37.5514 57.8281 -40.6104 -22.1151 TIMING: 4644000 CPU: 14986.9, 0.00310669/step Wall: 14986.9, 0.00310668/step, 0.307217 hours remaining, 235.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4644000 4018.1698 20307.2456 14508.4620 229.7875 -203845.3471 2950.6872 0.0000 0.0000 52214.3076 -109616.6875 300.0763 -161830.9951 -109249.9738 298.5539 -76.3836 -43.1021 762692.9191 -14.8280 -14.9874 PRESSURE: 4644200 -325.417 208.044 137.994 208.043 -242.141 -23.5935 137.994 -23.5929 -87.5932 GPRESSURE: 4644200 -223.338 97.6048 75.3653 168.115 -246.116 -35.2239 138.344 -3.50085 -102.923 PRESSAVG: 4644200 -58.4232 1.20878 27.36 1.20877 41.3649 16.6965 27.36 16.6965 5.71411 GPRESSAVG: 4644200 -58.5786 2.33121 27.1593 -0.572899 40.6961 15.0937 28.6166 18.7798 7.02686 TIMING: 4644200 CPU: 14987.5, 0.00309643/step Wall: 14987.5, 0.00309643/step, 0.30603 hours remaining, 235.992188 MB of memory in use. ENERGY: 4644200 3975.3559 20535.2297 14514.0360 240.0811 -203653.1874 2648.6256 0.0000 0.0000 52092.4819 -109647.3772 299.3762 -161739.8591 -109283.2044 298.9505 -218.3836 -190.7924 762563.1340 -3.7814 -3.6186 LDB: ============= START OF LOAD BALANCING ============== 14999.9 LDB: ============== END OF LOAD BALANCING =============== 14999.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14999.9 LDB: ============= START OF LOAD BALANCING ============== 15000.2 LDB: Largest compute 7024 load 0.033198 is 17.0% of average load 0.195566 LDB: Average compute 0.004390 is 2.2% of average load 0.195566 LDB: TIME 15000.2 LOAD: AVG 0.195566 MAX 0.212514 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 15000.2 LOAD: AVG 0.195566 MAX 0.212514 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 15000.2 LOAD: AVG 0.195566 MAX 0.212514 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 15000.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15000.3 PRESSURE: 4644400 -184.444 287.744 -155.721 287.743 -14.423 230.663 -155.72 230.663 145.511 GPRESSURE: 4644400 -54.2915 338.988 -177.109 294.344 -20.6049 189.522 -5.58162 246.631 115.747 PRESSAVG: 4644400 -42.0704 -35.285 14.7026 -35.285 68.1384 22.9821 14.7026 22.9821 25.7359 GPRESSAVG: 4644400 -40.8324 -37.1453 15.6765 -34.4439 67.1053 24.6238 14.5182 22.2616 25.341 TIMING: 4644400 CPU: 14988.1, 0.00320556/step Wall: 14988.1, 0.00320556/step, 0.316638 hours remaining, 235.437500 MB of memory in use. ENERGY: 4644400 3964.5535 20640.7884 14475.7261 259.1564 -203250.4191 2546.2666 0.0000 0.0000 51865.4826 -109498.4456 298.0716 -161363.9282 -109136.1059 299.0705 -17.7851 13.6169 762075.2746 17.2679 17.2046 PRESSURE: 4644600 5.86843 203.591 130.929 203.591 136.001 -44.3956 130.928 -44.3959 -138.126 GPRESSURE: 4644600 40.3952 116.56 157.456 125.31 119.475 -102.974 186.606 -150.763 -58.7772 PRESSAVG: 4644600 31.6259 -17.539 -4.0202 -17.539 -8.32306 -53.2054 -4.02018 -53.2054 -10.3427 GPRESSAVG: 4644600 30.5882 -16.6789 -4.2017 -17.693 -7.58604 -52.37 -7.21167 -54.3156 -10.0603 TIMING: 4644600 CPU: 14988.8, 0.00313418/step Wall: 14988.8, 0.00313418/step, 0.309413 hours remaining, 235.507812 MB of memory in use. ENERGY: 4644600 4014.3587 20536.2299 14576.4625 245.5344 -203010.0749 2374.5149 0.0000 0.0000 51996.2562 -109266.7183 298.8232 -161262.9746 -108909.2539 299.4233 1.2479 33.6977 762163.6468 4.3200 4.3139 PRESSURE: 4644800 -69.3173 -14.8162 94.7113 -14.8169 -30.7447 -204.63 94.711 -204.631 -95.2382 GPRESSURE: 4644800 -98.8612 -14.9567 59.8571 -41.3796 24.8969 -272.659 178.584 -61.3581 -48.0116 PRESSAVG: 4644800 36.2582 -39.7211 -18.6982 -39.7212 -33.0634 -59.0663 -18.6983 -59.0664 6.38918 GPRESSAVG: 4644800 35.8593 -38.903 -19.8556 -41.2581 -32.8325 -60.9616 -16.9191 -56.9927 6.21425 TIMING: 4644800 CPU: 14989.4, 0.00313137/step Wall: 14989.4, 0.00313137/step, 0.308962 hours remaining, 235.507812 MB of memory in use. ENERGY: 4644800 4037.3392 20636.2592 14531.6701 241.5807 -203477.3977 2718.7185 0.0000 0.0000 52081.4711 -109230.3589 299.3129 -161311.8299 -108871.9707 299.5747 -65.1001 -40.6587 762590.2441 3.1946 3.0803 PRESSURE: 4645000 -61.5595 9.55373 156.86 9.55314 -147.842 -176.181 156.86 -176.182 -46.3573 GPRESSURE: 4645000 12.4957 -22.474 262.494 16.5088 -120.956 -159.179 119.599 -167.063 -63.2652 PRESSAVG: 4645000 -33.6068 19.6696 -26.0949 19.6695 7.61445 21.2553 -26.0949 21.2553 -18.1629 GPRESSAVG: 4645000 -33.5027 19.4255 -24.5388 20.9083 8.55754 20.9448 -25.2319 22.1933 -18.2548 TIMING: 4645000 CPU: 14990, 0.00311788/step Wall: 14990, 0.00311788/step, 0.307458 hours remaining, 235.507812 MB of memory in use. ENERGY: 4645000 4000.5422 20390.8460 14477.6874 250.8478 -203105.4947 2505.8732 0.0000 0.0000 52028.5564 -109451.1416 299.0088 -161479.6980 -109074.4275 299.3486 -85.2528 -57.2419 763111.0538 -14.7184 -14.4000 PRESSURE: 4645200 3.79276 -137.411 -191.193 -137.411 -7.79028 153.445 -191.194 153.445 -164.111 GPRESSURE: 4645200 35.1017 -73.2287 -265.376 -105.386 16.1528 127.795 -129.487 93.4978 -143.815 PRESSAVG: 4645200 -23.3804 4.53676 19.3003 4.53669 0.0843028 39.0036 19.3003 39.0036 9.71071 GPRESSAVG: 4645200 -24.1919 4.31164 18.2221 4.78089 -0.638527 38.9349 19.6362 35.9089 11.0224 TIMING: 4645200 CPU: 14990.7, 0.00314475/step Wall: 14990.7, 0.00314475/step, 0.309933 hours remaining, 235.507812 MB of memory in use. ENERGY: 4645200 3938.8626 20354.2484 14528.8778 257.8230 -203125.5820 2567.9446 0.0000 0.0000 52044.8412 -109432.9843 299.1024 -161477.8254 -109062.4414 299.0890 -56.0363 -30.8536 762452.1517 -4.5285 -4.6027 PRESSURE: 4645400 -144.258 -36.9976 133.386 -36.9965 -186.906 376.082 133.386 376.082 -138.432 GPRESSURE: 4645400 -42.0427 -13.7661 145.149 -1.75769 -179.989 331.327 54.5568 332.214 -163.261 PRESSAVG: 4645400 -9.21432 -7.05667 4.8814 -7.05666 11.2 3.24307 4.88135 3.24309 9.56682 GPRESSAVG: 4645400 -9.60664 -6.61894 4.69755 -7.81905 11.6094 3.3508 3.72599 5.85554 9.60437 TIMING: 4645400 CPU: 14991.3, 0.00312592/step Wall: 14991.3, 0.00312592/step, 0.307903 hours remaining, 235.507812 MB of memory in use. ENERGY: 4645400 3975.3378 20470.8648 14490.8365 273.5799 -202878.9423 2333.4128 0.0000 0.0000 52209.6136 -109125.2967 300.0494 -161334.9104 -108749.6993 299.2036 -156.5320 -128.4309 761734.2157 3.8508 3.8691 PRESSURE: 4645600 -174.769 156.889 -31.7404 156.889 -22.0396 -119.429 -31.7405 -119.429 -375.753 GPRESSURE: 4645600 -156.782 129.576 9.22525 229.186 27.2169 -68.1329 75.1773 -219.196 -351.826 PRESSAVG: 4645600 -21.7286 -40.2652 9.13937 -40.2652 10.9667 30.1531 9.13933 30.1531 -3.20437 GPRESSAVG: 4645600 -22.4008 -40.3925 10.2611 -38.9297 12.0942 29.9747 9.28955 29.325 -3.55966 TIMING: 4645600 CPU: 14991.9, 0.00310172/step Wall: 14991.9, 0.00310172/step, 0.305347 hours remaining, 235.507812 MB of memory in use. ENERGY: 4645600 3934.5704 20421.9203 14553.5187 256.1019 -202837.8936 2495.5636 0.0000 0.0000 51939.7664 -109236.4523 298.4986 -161176.2187 -108868.7712 299.0108 -190.8538 -160.4637 762787.3255 -4.6554 -4.6221 PRESSURE: 4645800 -182.685 126.395 -297.987 126.395 89.4561 -315.499 -297.987 -315.498 -82.3324 GPRESSURE: 4645800 -151.412 110.822 -200.089 175.571 61.7143 -241.182 -375.597 -180.705 -2.00763 PRESSAVG: 4645800 -10.0083 -24.425 22.3797 -24.425 8.69162 -61.5435 22.3797 -61.5434 -6.31872 GPRESSAVG: 4645800 -8.62263 -24.1237 23.1982 -27.4696 7.45012 -62.9141 23.8511 -58.9638 -6.1542 TIMING: 4645800 CPU: 14992.5, 0.00311021/step Wall: 14992.5, 0.00311021/step, 0.30601 hours remaining, 235.507812 MB of memory in use. ENERGY: 4645800 3859.0746 20516.1425 14596.5207 239.5025 -203256.2022 2589.5340 0.0000 0.0000 52360.9440 -109094.4840 300.9191 -161455.4280 -108723.9670 300.0760 -58.5204 -30.5685 760227.1639 -2.5451 -2.4422 PRESSURE: 4646000 -52.4518 -139.322 10.6191 -139.322 -159.882 -191.176 10.6196 -191.176 135.966 GPRESSURE: 4646000 -56.0364 -111.081 -7.45676 -79.3014 -117.936 -222.752 1.78257 -88.5753 178.986 PRESSAVG: 4646000 2.40948 18.8579 11.7923 18.8579 22.4273 13.6812 11.7923 13.6811 24.3212 GPRESSAVG: 4646000 1.84779 18.5395 11.671 21.1408 23.3611 14.7239 8.44161 13.066 23.7818 TIMING: 4646000 CPU: 14993.1, 0.00311902/step Wall: 14993.1, 0.00311902/step, 0.306704 hours remaining, 235.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4646000 3976.0862 20414.3184 14484.1995 270.2014 -203348.7866 2785.8786 0.0000 0.0000 52355.7982 -109062.3042 300.8895 -161418.1024 -108697.8564 300.1161 -25.4563 1.6710 760058.8938 16.3860 16.3303 PRESSURE: 4646200 221.568 -11.4459 13.5426 -11.446 68.8028 40.6693 13.5424 40.6706 -19.5245 GPRESSURE: 4646200 214.697 38.3952 30.4643 -88.4542 165.345 14.9458 33.9497 -90.0749 5.81928 PRESSAVG: 4646200 -4.84192 -43.3812 5.21114 -43.3812 -33.4471 -19.1825 5.2112 -19.1824 14.4259 GPRESSAVG: 4646200 -3.99754 -43.3223 4.66491 -43.8349 -33.6368 -17.943 4.7559 -21.6859 14.1554 TIMING: 4646200 CPU: 14993.8, 0.00312272/step Wall: 14993.8, 0.00312272/step, 0.306894 hours remaining, 235.507812 MB of memory in use. ENERGY: 4646200 3961.7837 20572.4977 14518.9656 230.5050 -203444.9714 2603.5024 0.0000 0.0000 52309.7862 -109247.9308 300.6251 -161557.7170 -108892.6147 300.6676 90.2821 128.6203 758969.2727 -7.9544 -7.8263 PRESSURE: 4646400 -174.198 -73.0528 -30.9984 -73.0532 -76.0069 7.41183 -30.9986 7.41249 -44.7853 GPRESSURE: 4646400 -201.444 -123.12 -69.8828 -37.9545 -15.9494 -77.3354 -0.770059 79.1686 -6.49953 PRESSAVG: 4646400 61.3592 -53.445 17.1058 -53.445 -90.6204 26.4093 17.1059 26.4094 -7.35777 GPRESSAVG: 4646400 60.4701 -54.0245 17.4495 -52.7079 -90.978 25.9241 17.4849 26.5967 -6.57064 TIMING: 4646400 CPU: 14994.4, 0.00310204/step Wall: 14994.4, 0.00310204/step, 0.304689 hours remaining, 235.507812 MB of memory in use. ENERGY: 4646400 4053.0298 20648.6601 14474.2127 243.9718 -203136.9989 2382.2656 0.0000 0.0000 52003.5533 -109331.3054 298.8651 -161334.8587 -108976.9910 300.1469 -98.3300 -74.6309 761097.2564 -12.2063 -12.3595 PRESSURE: 4646600 -156.456 0.227676 -12.382 0.228007 -145.394 38.7717 -12.3829 38.7723 -200.015 GPRESSURE: 4646600 -77.9069 7.84595 72.4046 79.0831 -102.739 50.4565 1.03214 147.039 -226.532 PRESSAVG: 4646600 -13.8165 16.6584 -11.9966 16.6584 -13.7619 -45.6541 -11.9966 -45.6541 1.12148 GPRESSAVG: 4646600 -13.862 16.7759 -12.5238 17.053 -13.6725 -44.003 -10.8013 -46.4453 1.23993 TIMING: 4646600 CPU: 14995, 0.003119/step Wall: 14995, 0.003119/step, 0.306182 hours remaining, 235.507812 MB of memory in use. ENERGY: 4646600 3935.2523 20588.7992 14482.1044 243.4557 -202931.8771 2454.5979 0.0000 0.0000 51864.7306 -109362.9370 298.0673 -161227.6676 -108995.5755 299.5454 -167.2884 -135.7261 761782.7289 -8.8190 -8.7649 PRESSURE: 4646800 -95.4549 -61.8299 -40.3664 -61.8308 -66.4142 91.4409 -40.3663 91.4417 4.85965 GPRESSURE: 4646800 -146.948 -126.355 -135.987 -33.2402 48.0801 41.2998 -37.4046 53.4122 27.1021 PRESSAVG: 4646800 23.6374 -27.09 0.673009 -27.0901 -26.9148 22.2834 0.673008 22.2833 36.4853 GPRESSAVG: 4646800 23.4628 -27.9197 1.63456 -26.8112 -28.1672 21.1123 1.29394 22.6856 37.9045 TIMING: 4646800 CPU: 14995.6, 0.00312974/step Wall: 14995.6, 0.00312974/step, 0.307062 hours remaining, 235.507812 MB of memory in use. ENERGY: 4646800 4036.1147 20392.2270 14475.2938 243.2058 -203115.1629 2472.7868 0.0000 0.0000 52190.4936 -109305.0414 299.9395 -161495.5350 -108933.9189 298.9928 -52.3365 -23.9221 760479.7248 11.0693 11.0667 PRESSURE: 4647000 205.032 -102.801 76.1573 -102.801 -66.0452 7.9275 76.1575 7.92769 320.111 GPRESSURE: 4647000 269.012 -45.3113 25.6066 -144.813 -4.24402 -52.9115 3.97955 117.658 265.998 PRESSAVG: 4647000 20.3646 -17.8079 -62.9515 -17.808 -54.1657 -35.9933 -62.9514 -35.9933 6.91524 GPRESSAVG: 4647000 20.3224 -15.7121 -64.4377 -19.9874 -52.001 -36.1816 -63 -35.5708 5.22617 TIMING: 4647000 CPU: 14996.3, 0.00312722/step Wall: 14996.3, 0.00312722/step, 0.306641 hours remaining, 235.507812 MB of memory in use. ENERGY: 4647000 3966.7461 20413.4469 14463.5109 235.3365 -202946.3578 2377.6403 0.0000 0.0000 52120.2794 -109369.3978 299.5360 -161489.6772 -108996.4838 299.2219 153.0326 176.9222 759717.8047 -8.9619 -8.8175 PRESSURE: 4647200 -13.3063 -56.3877 39.5579 -56.3883 344.101 112.166 39.5584 112.166 -26.755 GPRESSURE: 4647200 51.9025 -26.623 107.36 -33.1004 446.889 164.835 27.2942 75.1245 -105.718 PRESSAVG: 4647200 13.9113 1.82315 17.1639 1.82304 13.214 9.67395 17.1638 9.67396 8.87222 GPRESSAVG: 4647200 12.8729 0.674106 19.2408 4.62711 12.8429 9.43035 17.5929 9.06204 10.3304 TIMING: 4647200 CPU: 14996.9, 0.0031248/step Wall: 14996.9, 0.0031248/step, 0.30623 hours remaining, 235.507812 MB of memory in use. ENERGY: 4647200 4011.3394 20384.0734 14524.9297 264.0497 -203421.9768 2562.6808 0.0000 0.0000 52235.6691 -109439.2348 300.1991 -161674.9039 -109062.3572 299.3290 101.3466 131.0243 759766.6586 11.9992 12.0154 PRESSURE: 4647400 -66.1722 -11.5186 131.366 -11.519 -89.0042 43.7457 131.366 43.7459 -129.438 GPRESSURE: 4647400 24.5945 -62.9685 80.2313 51.7295 -139.58 76.2297 12.0941 31.9339 -90.3218 PRESSAVG: 4647400 32.7557 23.3601 -8.217 23.3601 -20.0073 9.70365 -8.21698 9.70364 22.2993 GPRESSAVG: 4647400 34.4261 25.2485 -10.2192 20.9565 -21.493 10.8688 -9.82035 8.91912 22.1191 TIMING: 4647400 CPU: 14997.5, 0.00310926/step Wall: 14997.5, 0.00310926/step, 0.304535 hours remaining, 235.507812 MB of memory in use. ENERGY: 4647400 4016.4381 20691.7848 14443.7220 256.4380 -203237.4476 2431.7396 0.0000 0.0000 51769.6413 -109627.6839 297.5208 -161397.3252 -109276.2429 298.9625 -94.8714 -68.4358 761008.3215 11.6825 11.6841 PRESSURE: 4647600 -262.844 -75.504 106.279 -75.5043 -500.108 52.2355 106.279 52.2352 -386.027 GPRESSURE: 4647600 -210.023 -38.3032 27.0867 -105.401 -417.646 53.6008 92.2118 38.5611 -430.837 PRESSAVG: 4647600 29.5882 2.33622 17.6517 2.33622 4.46974 -9.32911 17.6517 -9.32905 -14.7698 GPRESSAVG: 4647600 29.8675 1.56937 19.3915 3.37018 5.23014 -8.92453 17.8281 -7.68165 -15.5711 TIMING: 4647600 CPU: 14998.1, 0.00311797/step Wall: 14998.1, 0.00311797/step, 0.305215 hours remaining, 235.507812 MB of memory in use. ENERGY: 4647600 4039.8063 20535.8868 14428.7505 232.8124 -202993.1282 2153.5037 0.0000 0.0000 51998.5434 -109603.8251 298.8363 -161602.3684 -109251.7116 298.4502 -382.9932 -352.8353 761921.1906 6.4294 6.5088 PRESSURE: 4647800 48.9121 -66.0541 -26.5148 -66.054 -123.547 -256.737 -26.5156 -256.738 -495.748 GPRESSURE: 4647800 -33.2098 -31.1002 21.9804 -50.2593 -54.4671 -202.47 -187.672 -246.554 -420.197 PRESSAVG: 4647800 13.5834 -4.63394 -49.1721 -4.63394 39.4591 23.8353 -49.1722 23.8352 8.65341 GPRESSAVG: 4647800 12.2177 -5.24705 -51.626 -5.23271 40.0662 22.995 -49.8277 24.6 9.58281 TIMING: 4647800 CPU: 14998.8, 0.00310644/step Wall: 14998.8, 0.00310644/step, 0.303913 hours remaining, 235.507812 MB of memory in use. ENERGY: 4647800 3949.5606 20444.4521 14495.4203 234.6448 -203410.3334 2545.1233 0.0000 0.0000 52138.7755 -109602.3568 299.6423 -161741.1323 -109240.1336 299.5223 -190.1277 -169.2913 760727.9011 20.5653 20.6222 PRESSURE: 4648000 110.273 -73.0652 157.18 -73.0639 -151.739 49.9445 157.18 49.9452 366.684 GPRESSURE: 4648000 145.573 -45.2919 120.329 -10.477 -88.5679 96.8059 88.3065 104.15 361.105 PRESSAVG: 4648000 44.9878 -1.5984 33.1505 -1.5984 -27.6256 -42.5462 33.1504 -42.5462 10.335 GPRESSAVG: 4648000 46.4147 -1.46477 33.7233 -1.09382 -27.7614 -42.8618 32.9832 -46.859 9.48869 TIMING: 4648000 CPU: 14999.4, 0.00311394/step Wall: 14999.4, 0.00311394/step, 0.304474 hours remaining, 235.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4648000 3984.2690 20516.3560 14624.7741 247.0406 -203557.8190 2669.3023 0.0000 0.0000 51962.9680 -109553.1088 298.6319 -161516.0769 -109203.8119 298.8901 108.4058 139.3702 760636.5223 9.2324 9.3806 PRESSURE: 4648200 500.746 112.931 141.541 112.932 83.1126 -143.904 141.54 -143.906 133.962 GPRESSURE: 4648200 514.441 79.7931 92.2154 80.4244 93.2193 -94.5427 203.556 -144.247 196.842 PRESSAVG: 4648200 25.1186 26.3351 36.4274 26.3352 -21.6793 -5.43677 36.4274 -5.43685 -11.8481 GPRESSAVG: 4648200 23.5985 26.1344 36.2619 26.5697 -20.4753 -6.7195 36.127 -3.07876 -11.1337 TIMING: 4648200 CPU: 15000, 0.00313141/step Wall: 15000, 0.00313141/step, 0.306008 hours remaining, 235.507812 MB of memory in use. ENERGY: 4648200 3914.2420 20617.9514 14513.8770 244.3151 -203577.6022 2738.7681 0.0000 0.0000 52028.0056 -109520.4431 299.0057 -161548.4487 -109163.8597 298.8879 239.2735 268.1674 759887.7696 -2.8029 -2.6702 LDB: ============= START OF LOAD BALANCING ============== 15012.4 LDB: ============== END OF LOAD BALANCING =============== 15012.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15012.4 LDB: ============= START OF LOAD BALANCING ============== 15012.7 LDB: Largest compute 7044 load 0.032572 is 16.7% of average load 0.195579 LDB: Average compute 0.004364 is 2.2% of average load 0.195579 LDB: TIME 15012.7 LOAD: AVG 0.195579 MAX 0.211571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.336 MB LDB: TIME 15012.7 LOAD: AVG 0.195579 MAX 0.211571 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.336 MB LDB: TIME 15012.7 LOAD: AVG 0.195579 MAX 0.211571 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.336 MB LDB: ============== END OF LOAD BALANCING =============== 15012.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15012.7 PRESSURE: 4648400 -36.2705 -150.136 -184.869 -150.136 -107.211 -65.306 -184.868 -65.305 208.938 GPRESSURE: 4648400 74.0942 -200.636 -138.086 -172.915 -151.857 -35.4486 -227.95 -102.422 224.436 PRESSAVG: 4648400 -23.084 15.6333 -19.8949 15.6333 -21.3915 -18.4164 -19.8949 -18.4165 -32.6097 GPRESSAVG: 4648400 -22.0567 15.4168 -19.2722 15.1539 -22.4195 -18.8025 -18.4917 -17.2838 -32.8579 TIMING: 4648400 CPU: 15000.6, 0.00317312/step Wall: 15000.6, 0.00317312/step, 0.309908 hours remaining, 235.394531 MB of memory in use. ENERGY: 4648400 4006.2115 20457.6017 14524.3217 242.1022 -203234.7055 2517.4037 0.0000 0.0000 52130.9892 -109356.0755 299.5975 -161487.0647 -108992.7045 299.2381 21.8188 48.8911 761370.4972 -25.6951 -25.7780 PRESSURE: 4648600 -190.081 173.474 -50.5477 173.474 404.984 70.3682 -50.5481 70.3679 265.897 GPRESSURE: 4648600 -169.925 138.231 -48.1181 107.409 399.08 161.179 -96.9895 133.738 323.229 PRESSAVG: 4648600 -5.18639 -57.2655 -38.1549 -57.2655 2.45763 -12.9602 -38.1549 -12.9603 10.9781 GPRESSAVG: 4648600 -6.68795 -56.2952 -37.5962 -57.5064 3.01281 -13.0677 -37.209 -12.58 12.389 TIMING: 4648600 CPU: 15001.3, 0.00314161/step Wall: 15001.3, 0.00314161/step, 0.306656 hours remaining, 235.851562 MB of memory in use. ENERGY: 4648600 4036.0425 20487.3568 14405.2753 232.5069 -203372.2995 2493.2820 0.0000 0.0000 52273.5157 -109444.3203 300.4166 -161717.8360 -109085.2969 299.4937 160.2666 184.1279 760154.9229 2.7498 2.9046 PRESSURE: 4648800 -96.8628 -129.66 -138.214 -129.66 -141.49 10.8242 -138.214 10.8234 36.2336 GPRESSURE: 4648800 -50.6815 -162.984 -237.891 13.177 -105.88 62.6239 -62.6795 70.403 31.8318 PRESSAVG: 4648800 -7.77755 -54.6459 13.3901 -54.646 -15.9031 12.6328 13.3901 12.6328 -2.3617 GPRESSAVG: 4648800 -6.36243 -56.7613 11.4435 -54.9775 -16.7295 15.5298 12.5903 9.94673 -2.82164 TIMING: 4648800 CPU: 15001.9, 0.00312231/step Wall: 15001.9, 0.00312231/step, 0.304599 hours remaining, 235.851562 MB of memory in use. ENERGY: 4648800 3932.7969 20610.2092 14395.1970 239.7695 -203239.1360 2499.0292 0.0000 0.0000 52022.6519 -109539.4824 298.9749 -161562.1343 -109178.4111 299.5635 -67.3731 -41.5764 760402.2321 -8.6808 -8.6378 PRESSURE: 4649000 -30.0501 143.165 -43.0733 143.166 -27.025 -60.8604 -43.0735 -60.8596 485.372 GPRESSURE: 4649000 -3.85269 135.705 -75.9007 72.2062 -24.9629 -124.632 48.0403 70.3053 545.55 PRESSAVG: 4649000 1.59147 -31.4822 -14.6518 -31.4822 -37.2919 -23.6201 -14.6517 -23.6201 0.894409 GPRESSAVG: 4649000 1.57031 -30.8818 -12.5321 -30.5198 -36.6544 -26.2125 -14.9811 -23.959 0.137292 TIMING: 4649000 CPU: 15002.5, 0.00312431/step Wall: 15002.5, 0.00312431/step, 0.30462 hours remaining, 236.050781 MB of memory in use. ENERGY: 4649000 4082.5327 20568.7728 14446.0681 245.1566 -203541.4808 2711.9246 0.0000 0.0000 51829.2834 -109657.7426 297.8636 -161487.0260 -109297.6400 298.7776 142.7655 172.2448 761262.5301 -11.6020 -11.6489 PRESSURE: 4649200 -173.691 229.487 -55.4464 229.486 -33.9434 -72.899 -55.4471 -72.8983 176.796 GPRESSURE: 4649200 -148.775 223.765 -85.0359 203.335 -44.149 -49.7292 -81.0234 -109.632 235.567 PRESSAVG: 4649200 58.0263 -0.315785 5.47286 -0.315777 -47.0487 29.8965 5.47279 29.8965 8.84366 GPRESSAVG: 4649200 56.5945 -0.16449 4.54762 -1.70566 -47.2212 28.8576 4.75124 33.6787 10.4246 TIMING: 4649200 CPU: 15003.1, 0.00313027/step Wall: 15003.1, 0.00313027/step, 0.305027 hours remaining, 236.066406 MB of memory in use. ENERGY: 4649200 3985.9434 20616.4060 14493.4634 245.8251 -203280.5486 2342.8134 0.0000 0.0000 51980.8896 -109615.2078 298.7349 -161596.0974 -109259.5541 298.6272 -10.2794 14.2144 761995.4976 6.6071 6.5993 PRESSURE: 4649400 -207.832 -265.41 -23.7332 -265.409 108.507 60.482 -23.7325 60.482 89.0812 GPRESSURE: 4649400 -166.775 -79.174 13.0876 -273.794 130.559 89.7544 -89.4606 -83.3098 111.405 PRESSAVG: 4649400 35.7418 -40.0395 1.35828 -40.0395 -39.7945 22.9667 1.35828 22.9667 -10.8431 GPRESSAVG: 4649400 36.4488 -38.1307 2.42077 -38.9488 -39.6996 24.0294 2.56724 20.5198 -11.5032 TIMING: 4649400 CPU: 15003.8, 0.00311577/step Wall: 15003.8, 0.00311577/step, 0.303442 hours remaining, 236.066406 MB of memory in use. ENERGY: 4649400 4026.3530 20436.5379 14449.4073 230.7649 -203327.9620 2638.8946 0.0000 0.0000 51869.8531 -109676.1513 298.0968 -161546.0044 -109323.7847 298.8671 -3.4147 25.0631 761209.1374 -4.9653 -4.9180 PRESSURE: 4649600 41.4045 289.597 -135.046 289.596 568.597 -246.12 -135.045 -246.12 -23.5942 GPRESSURE: 4649600 62.08 272.958 -63.3453 130.593 643.019 -281.506 -186.994 -253.95 -20.0571 PRESSAVG: 4649600 -10.9701 11.9477 77.7682 11.9477 -4.4109 38.7447 77.7682 38.7447 3.81768 GPRESSAVG: 4649600 -9.67966 10.3387 77.8552 11.1669 -5.01214 41.0085 76.1193 38.3373 3.05423 TIMING: 4649600 CPU: 15004.4, 0.00310576/step Wall: 15004.4, 0.00310576/step, 0.302294 hours remaining, 236.066406 MB of memory in use. ENERGY: 4649600 4019.7699 20564.3102 14455.5728 250.3595 -204023.0348 2899.8229 0.0000 0.0000 52105.8678 -109727.3317 299.4531 -161833.1995 -109368.4084 298.5479 195.4690 228.3474 760041.3172 -3.8544 -3.8792 PRESSURE: 4649800 116.921 134.089 252.24 134.089 -65.7429 63.214 252.24 63.2146 78.621 GPRESSURE: 4649800 139.893 57.0134 306.647 216.987 35.8006 8.58835 123.525 81.7125 34.9393 PRESSAVG: 4649800 19.4401 -35.7997 -1.9266 -35.7997 6.93709 -41.9241 -1.92665 -41.9241 -18.0841 GPRESSAVG: 4649800 19.2412 -36.9176 -1.12445 -33.0305 6.61472 -43.1092 -1.27357 -42.3083 -17.8024 TIMING: 4649800 CPU: 15005, 0.00311062/step Wall: 15005, 0.00311062/step, 0.302594 hours remaining, 236.066406 MB of memory in use. ENERGY: 4649800 3923.4226 20524.6855 14432.7428 266.0368 -203713.1671 2658.2349 0.0000 0.0000 51993.7910 -109914.2535 298.8090 -161908.0445 -109553.2375 299.2719 43.2665 70.2108 760214.8384 2.7643 2.6845 PRESSURE: 4650000 88.1679 -44.4734 136.405 -44.4734 -263.438 69.4053 136.407 69.405 -59.1683 GPRESSURE: 4650000 142.97 29.2585 103.18 -91.9377 -234.303 79.935 74.8798 144.893 -61.4202 PRESSAVG: 4650000 -20.306 6.53183 20.0715 6.53179 57.9693 8.0237 20.0715 8.02379 9.04348 GPRESSAVG: 4650000 -21.1719 8.41627 19.5523 4.87181 59.2844 7.24105 18.3764 10.21 9.15957 TIMING: 4650000 CPU: 15005.6, 0.00311647/step Wall: 15005.6, 0.00311647/step, 0.30299 hours remaining, 236.066406 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: 4650000 3910.5672 20441.6201 14520.1378 253.5651 -203055.9868 2205.9777 0.0000 0.0000 51851.8836 -109872.2353 297.9935 -161724.1188 -109519.1333 298.6325 -78.1462 -50.9174 761711.8320 15.5689 15.7573 PRESSURE: 4650200 -137.693 -216.209 69.2565 -216.209 -176.474 53.0798 69.2574 53.0799 118.27 GPRESSURE: 4650200 -112.102 -75.8402 102.649 -266.57 -144.011 41.7703 141.588 -56.6334 139.292 PRESSAVG: 4650200 25.4457 -43.3456 -3.21082 -43.3456 -30.604 96.7874 -3.21086 96.7873 3.45581 GPRESSAVG: 4650200 26.4256 -42.1135 -3.79138 -42.9264 -31.6845 95.852 -1.45392 95.7947 3.81848 TIMING: 4650200 CPU: 15006.3, 0.00311303/step Wall: 15006.3, 0.00311303/step, 0.302483 hours remaining, 236.066406 MB of memory in use. ENERGY: 4650200 3958.1723 20330.4160 14372.0677 244.2446 -203284.6864 2572.6201 0.0000 0.0000 51938.7408 -109868.4250 298.4927 -161807.1658 -109495.1999 298.7521 -65.2992 -38.9406 761417.4735 -0.5675 -0.4802 PRESSURE: 4650400 -21.3989 9.74861 -243.585 9.74874 184.344 195.593 -243.586 195.594 370.026 GPRESSURE: 4650400 -91.4191 -86.1842 -119.516 -36.6424 277.9 153.27 -167.564 235.152 430.032 PRESSAVG: 4650400 -35.7166 -20.1148 -29.817 -20.1148 31.6741 43.0293 -29.8171 43.0293 -1.19873 GPRESSAVG: 4650400 -36.4959 -20.8236 -29.5749 -23.3832 32.268 46.2709 -29.4537 41.4622 -1.19438 TIMING: 4650400 CPU: 15006.9, 0.00311528/step Wall: 15006.9, 0.00311528/step, 0.302529 hours remaining, 236.066406 MB of memory in use. ENERGY: 4650400 4012.3550 20438.5541 14369.0001 255.2697 -203677.5481 2827.5390 0.0000 0.0000 52162.8980 -109611.9322 299.7809 -161774.8302 -109252.2078 298.7496 177.6570 205.5041 760899.7825 -1.7471 -1.8074 PRESSURE: 4650600 -218.864 -32.7888 -39.5719 -32.7898 68.6259 68.4768 -39.5722 68.477 -204.828 GPRESSURE: 4650600 -256.544 24.425 39.6869 -3.63683 190.01 30.7182 -181.374 -7.49633 -197.661 PRESSAVG: 4650600 -12.0671 -61.1084 -19.6622 -61.1084 16.4444 45.3777 -19.6622 45.3777 -7.2222 GPRESSAVG: 4650600 -12.0504 -62.6031 -19.4726 -57.9971 16.4665 43.3034 -19.0288 45.3356 -7.49455 TIMING: 4650600 CPU: 15007.5, 0.00310795/step Wall: 15007.5, 0.00310795/step, 0.301644 hours remaining, 236.066406 MB of memory in use. ENERGY: 4650600 3925.6378 20547.9969 14469.7273 267.6946 -203181.6258 2585.7821 0.0000 0.0000 51967.4149 -109417.3722 298.6574 -161384.7872 -109054.8325 299.0128 -118.3555 -88.0651 761072.7349 -0.9483 -1.0262 PRESSURE: 4650800 -46.1046 91.6135 87.8933 91.6131 -209.862 -112.31 87.8935 -112.31 525.704 GPRESSURE: 4650800 -3.23739 111.899 104.718 70.9007 -213.683 -108.296 -45.6205 -39.853 536.746 PRESSAVG: 4650800 -11.9174 -13.8104 28.9044 -13.8105 -31.727 49.4137 28.9044 49.4136 19.5956 GPRESSAVG: 4650800 -11.3157 -13.6334 29.8295 -13.4928 -31.4595 49.4341 28.0655 50.2783 18.7342 TIMING: 4650800 CPU: 15008.1, 0.00312837/step Wall: 15008.1, 0.00312837/step, 0.303452 hours remaining, 236.066406 MB of memory in use. ENERGY: 4650800 3989.8938 20590.3827 14444.0744 263.3210 -203067.4716 2298.3678 0.0000 0.0000 51880.2152 -109601.2167 298.1563 -161481.4320 -109244.5127 298.9318 89.9128 106.6085 760471.1260 -8.0163 -8.0137 PRESSURE: 4651000 -400.758 118.309 -135.152 118.309 16.6746 24.5182 -135.152 24.5173 -20.7351 GPRESSURE: 4651000 -306.963 35.0907 -119.807 98.1254 -71.281 43.8008 -181.854 -29.3611 40.2936 PRESSAVG: 4651000 30.1425 -28.6625 49.5991 -28.6625 -9.00203 -12.2771 49.5991 -12.2772 17.0518 GPRESSAVG: 4651000 30.4307 -30.182 49.0464 -28.4525 -10.1095 -11.1296 49.5497 -12.993 17.952 TIMING: 4651000 CPU: 15008.7, 0.0031231/step Wall: 15008.7, 0.0031231/step, 0.302767 hours remaining, 236.066406 MB of memory in use. ENERGY: 4651000 3986.2517 20408.3853 14384.9258 245.5055 -202948.5212 2339.9132 0.0000 0.0000 52028.3371 -109555.2026 299.0076 -161583.5398 -109200.1836 298.9399 -134.9394 -112.6502 762054.1837 12.7308 12.7577 PRESSURE: 4651200 -388.47 -38.3757 -153.051 -38.3758 -337.945 112.966 -153.051 112.966 -115.954 GPRESSURE: 4651200 -379.59 -81.7499 -235.776 -21.0399 -326.916 -31.1151 -261.493 163.323 -58.1656 PRESSAVG: 4651200 15.3098 22.6105 7.44469 22.6105 -57.0659 9.44047 7.44468 9.44052 14.8319 GPRESSAVG: 4651200 16.5303 26.1331 6.67911 21.3949 -57.1466 10.3802 8.56979 10.9109 13.4289 TIMING: 4651200 CPU: 15009.4, 0.00312634/step Wall: 15009.4, 0.00312634/step, 0.302908 hours remaining, 236.066406 MB of memory in use. ENERGY: 4651200 3986.1789 20489.4204 14482.8740 246.9561 -203012.9847 2407.0454 0.0000 0.0000 51881.7707 -109518.7392 298.1652 -161400.5099 -109150.3062 298.9595 -280.7896 -254.8905 760896.1809 -8.9747 -9.0625 PRESSURE: 4651400 193.027 -104.967 -30.3309 -104.967 -178.126 9.01788 -30.3324 9.01834 -10.0822 GPRESSURE: 4651400 190.41 -110.249 -20.6804 -93.5028 -125.391 -42.8569 -110.805 100.747 12.8249 PRESSAVG: 4651400 56.4247 17.3302 -14.4865 17.3302 -31.5031 1.12168 -14.4865 1.12169 5.65368 GPRESSAVG: 4651400 54.1988 13.6428 -14.115 18.4518 -29.1035 -0.141672 -16.9984 2.26693 5.05645 TIMING: 4651400 CPU: 15010, 0.00312191/step Wall: 15010, 0.00312191/step, 0.302305 hours remaining, 236.066406 MB of memory in use. ENERGY: 4651400 3962.9398 20448.7163 14477.4404 249.1238 -203075.1431 2375.1596 0.0000 0.0000 52055.1606 -109506.6027 299.1617 -161561.7633 -109156.7891 299.0930 1.6062 25.9479 760732.4702 10.1917 10.0506 PRESSURE: 4651600 -231.351 -186.868 260.772 -186.868 110.044 -137.333 260.773 -137.333 -254.966 GPRESSURE: 4651600 -183.988 -267.292 224.592 -122.841 112.542 -145.153 346.611 -103.029 -211.501 PRESSAVG: 4651600 37.0146 -24.7626 18.0822 -24.7625 -15.5776 23.6288 18.0821 23.6288 14.0438 GPRESSAVG: 4651600 37.6329 -24.9016 18.8705 -24.5887 -17.3334 24.644 20.9674 21.3851 14.8667 TIMING: 4651600 CPU: 15010.6, 0.0031485/step Wall: 15010.6, 0.0031485/step, 0.304705 hours remaining, 236.066406 MB of memory in use. ENERGY: 4651600 3980.1665 20442.7696 14403.0215 243.4295 -203048.7039 2538.7842 0.0000 0.0000 52056.5854 -109383.9472 299.1699 -161440.5326 -109018.5788 299.0937 -125.4244 -94.3155 762604.0514 11.8269 11.7221 PRESSURE: 4651800 -34.5581 -179.153 125.721 -179.153 -385.966 -60.0208 125.721 -60.0196 214.809 GPRESSURE: 4651800 -43.6966 -280.871 127.747 -139.673 -321.669 -73.7945 84.2468 148.851 246.045 PRESSAVG: 4651800 -45.7096 -18.2255 28.7077 -18.2256 45.1055 2.79211 28.7076 2.79209 -39.8168 GPRESSAVG: 4651800 -45.8594 -16.5985 28.2019 -18.8858 45.2019 1.30572 27.7092 5.39862 -39.6053 TIMING: 4651800 CPU: 15011.3, 0.00311972/step Wall: 15011.3, 0.00311972/step, 0.301746 hours remaining, 236.066406 MB of memory in use. ENERGY: 4651800 3908.5534 20569.3932 14433.3925 239.5162 -203056.4560 2459.6959 0.0000 0.0000 52042.5443 -109403.3606 299.0892 -161445.9049 -109046.5648 299.1133 -68.5717 -39.7734 763217.5509 -13.4736 -13.4209 PRESSURE: 4652000 -84.2726 -123.871 -13.4146 -123.871 -74.4989 116.291 -13.4148 116.29 240.251 GPRESSURE: 4652000 -89.9015 -161.419 -105.948 56.3601 -44.819 120.395 24.9134 17.281 310.848 PRESSAVG: 4652000 -14.5653 5.37629 34.0851 5.3763 -2.94961 -54.5144 34.0851 -54.5144 7.7516 GPRESSAVG: 4652000 -14.3075 4.9814 33.0768 5.51108 -2.41009 -54.0527 34.2717 -53.6678 7.27579 TIMING: 4652000 CPU: 15011.9, 0.00311554/step Wall: 15011.9, 0.00311555/step, 0.301169 hours remaining, 236.066406 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: 4652000 3959.6185 20516.9479 14507.2237 235.4944 -203311.7057 2695.2164 0.0000 0.0000 51954.6087 -109442.5962 298.5839 -161397.2049 -109092.8246 298.5574 27.1598 58.7093 761486.2986 -3.2544 -3.1473 PRESSURE: 4652200 210.007 -59.2477 191.711 -59.2482 -31.5674 -9.86444 191.71 -9.86404 -13.3003 GPRESSURE: 4652200 190.654 93.5042 220.438 -42.0986 58.7294 79.0597 94.0219 -43.456 11.0789 PRESSAVG: 4652200 -23.9029 1.47765 -10.2364 1.47768 -10.1398 -37.1962 -10.2363 -37.1962 2.57465 GPRESSAVG: 4652200 -25.0645 -0.255268 -8.94037 1.97106 -10.0706 -36.4308 -11.5284 -40.7482 3.69972 TIMING: 4652200 CPU: 15012.5, 0.00312207/step Wall: 15012.5, 0.00312207/step, 0.301626 hours remaining, 236.066406 MB of memory in use. ENERGY: 4652200 3995.7215 20289.6053 14431.6235 239.9905 -203619.8776 2960.4715 0.0000 0.0000 52403.3813 -109299.0840 301.1630 -161702.4653 -108925.8520 299.3857 55.0466 86.8208 761559.0060 -10.4894 -10.4785 LDB: ============= START OF LOAD BALANCING ============== 15024.9 LDB: ============== END OF LOAD BALANCING =============== 15024.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15024.9 LDB: ============= START OF LOAD BALANCING ============== 15025.2 LDB: Largest compute 7025 load 0.035087 is 17.9% of average load 0.195526 LDB: Average compute 0.004387 is 2.2% of average load 0.195526 LDB: TIME 15025.2 LOAD: AVG 0.195526 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 15025.2 LOAD: AVG 0.195526 MAX 0.213491 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 15025.2 LOAD: AVG 0.195526 MAX 0.213491 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 15025.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15025.3 PRESSURE: 4652400 128.481 37.9311 -246.588 37.9311 -36.338 -15.8767 -246.588 -15.8769 390.247 GPRESSURE: 4652400 96.5919 53.4044 -224.062 47.831 65.3687 -60.9826 -182.607 -78.6925 399.924 PRESSAVG: 4652400 -9.07099 -58.109 -5.94535 -58.109 -3.01848 -23.1637 -5.94538 -23.1637 -0.396953 GPRESSAVG: 4652400 -7.68661 -57.317 -6.83275 -57.5166 -2.92304 -23.6319 -3.32663 -21.9858 -0.743926 TIMING: 4652400 CPU: 15013.1, 0.00323409/step Wall: 15013.1, 0.00323409/step, 0.31227 hours remaining, 234.625000 MB of memory in use. ENERGY: 4652400 3971.2327 20465.2533 14624.8925 254.5374 -203333.5223 2494.7880 0.0000 0.0000 52110.7629 -109412.0555 299.4813 -161522.8184 -109053.6261 299.3321 160.7968 187.2948 760372.6807 -4.1621 -3.7845 PRESSURE: 4652600 -412.24 75.839 -28.3851 75.8394 108.142 199.829 -28.3845 199.829 183.336 GPRESSURE: 4652600 -259.385 102.589 -146.356 -39.6851 68.0712 161.355 58.2693 183.775 148.461 PRESSAVG: 4652600 -16.7693 -35.9732 -14.1136 -35.9732 21.9746 -16.1787 -14.1135 -16.1787 11.2412 GPRESSAVG: 4652600 -15.8064 -35.8334 -13.8561 -37.0422 21.6746 -16.7385 -15.8507 -17.9404 10.7939 TIMING: 4652600 CPU: 15013.8, 0.003138/step Wall: 15013.8, 0.003138/step, 0.302817 hours remaining, 234.828125 MB of memory in use. ENERGY: 4652600 3994.2088 20440.6410 14437.9536 246.6213 -202896.4706 2229.5408 0.0000 0.0000 52151.9368 -109395.5682 299.7179 -161547.5051 -109036.5225 299.1913 -40.2539 -14.2842 759596.9024 5.4822 5.5541 PRESSURE: 4652800 174.414 -131.977 -110.245 -131.977 51.7516 -52.0196 -110.245 -52.0194 -4.80943 GPRESSURE: 4652800 173.759 -125.575 -61.0961 -129.138 96.6002 -2.52829 -221.884 -4.61671 31.8354 PRESSAVG: 4652800 -6.35045 -38.499 -43.6583 -38.499 17.6501 -12.9453 -43.6583 -12.9454 -2.135 GPRESSAVG: 4652800 -6.87863 -38.051 -44.3725 -39.828 17.5058 -13.0455 -44.3766 -11.0505 -1.10406 TIMING: 4652800 CPU: 15014.4, 0.00313068/step Wall: 15014.4, 0.00313067/step, 0.301936 hours remaining, 234.898438 MB of memory in use. ENERGY: 4652800 3915.3847 20612.1423 14427.9436 258.7468 -203010.7147 2282.2798 0.0000 0.0000 52132.1710 -109382.0465 299.6043 -161514.2175 -109013.4945 299.1470 73.7853 100.7316 760432.0238 3.0549 3.1744 PRESSURE: 4653000 -164.042 -123.217 -131.968 -123.217 -8.94854 -43.8754 -131.969 -43.8763 -186.329 GPRESSURE: 4653000 -125.333 -86.3148 -137.024 -80.3555 40.6052 34.9888 -57.5261 -148.545 -193.068 PRESSAVG: 4653000 -30.8966 -33.7005 -33.8683 -33.7004 11.1473 6.35461 -33.8683 6.35468 16.448 GPRESSAVG: 4653000 -30.7925 -30.2256 -32.5948 -33.888 12.2935 7.71276 -33.0126 6.55575 15.25 TIMING: 4653000 CPU: 15015, 0.00313324/step Wall: 15015, 0.00313324/step, 0.30201 hours remaining, 234.898438 MB of memory in use. ENERGY: 4653000 3955.7976 20443.2633 14508.3972 270.2719 -203059.9008 2282.6888 0.0000 0.0000 52095.2685 -109504.2136 299.3922 -161599.4821 -109146.7684 299.2069 -119.7731 -92.5984 761071.7210 -1.1004 -1.0830 PRESSURE: 4653200 37.9811 36.5516 52.9104 36.5515 318.701 -173.65 52.9094 -173.65 180.668 GPRESSURE: 4653200 121.687 -19.8894 94.8069 8.45226 297.868 -80.9368 -165.366 -125.034 212.901 PRESSAVG: 4653200 -61.3619 -43.0009 -52.1446 -43.0009 24.4998 34.4334 -52.1445 34.4332 1.86429 GPRESSAVG: 4653200 -61.76 -45.7908 -53.0444 -42.1589 24.4915 33.7431 -53.1136 34.6913 1.88027 TIMING: 4653200 CPU: 15015.7, 0.00311895/step Wall: 15015.7, 0.00311895/step, 0.300459 hours remaining, 234.968750 MB of memory in use. ENERGY: 4653200 3943.5354 20480.7748 14433.5984 248.8892 -203003.1241 2677.3815 0.0000 0.0000 51967.3682 -109251.5766 298.6572 -161218.9448 -108886.6660 299.4045 179.1168 210.8183 762169.6129 -11.6660 -11.7960 PRESSURE: 4653400 -211.825 -137.726 105.911 -137.727 -55.0622 179.629 105.91 179.628 -10.7019 GPRESSURE: 4653400 -195.733 -92.504 104.804 -183.139 13.8347 101.858 133.809 1.92397 3.47702 PRESSAVG: 4653400 -18.6972 6.12099 -4.52343 6.121 -5.25558 45.2278 -4.52345 45.2278 15.0698 GPRESSAVG: 4653400 -19.1381 7.66111 -4.6856 3.87595 -5.15702 45.2451 -6.65972 44.5629 15.1132 TIMING: 4653400 CPU: 15016.3, 0.00313144/step Wall: 15016.3, 0.00313144/step, 0.301488 hours remaining, 234.968750 MB of memory in use. ENERGY: 4653400 3969.6010 20397.1529 14482.7397 256.1828 -202784.1099 2187.7653 0.0000 0.0000 52102.0964 -109388.5717 299.4315 -161490.6681 -109023.5518 299.5982 -92.5297 -59.4737 761192.6590 -2.9610 -3.0607 PRESSURE: 4653600 -176.977 -298.502 -179.406 -298.501 212.44 267.754 -179.406 267.753 -256.311 GPRESSURE: 4653600 -145.896 -249.157 -182.555 -222.026 174.108 348.195 -177.736 229.576 -175.087 PRESSAVG: 4653600 -18.8143 -23.555 -37.0201 -23.555 -7.52614 26.6978 -37.0201 26.6978 4.6494 GPRESSAVG: 4653600 -19.0661 -24.1949 -36.1142 -20.0077 -7.75199 27.2913 -35.4921 26.0616 5.32063 TIMING: 4653600 CPU: 15016.9, 0.00312925/step Wall: 15016.9, 0.00312925/step, 0.301103 hours remaining, 234.968750 MB of memory in use. ENERGY: 4653600 3987.7069 20471.2214 14495.4405 225.6641 -202685.0565 2218.6317 0.0000 0.0000 52017.9033 -109268.4886 298.9476 -161286.3919 -108906.7268 298.7909 -73.6159 -48.9587 761292.8208 -7.2303 -7.1658 PRESSURE: 4653800 -202.93 7.6011 -200.219 7.60137 -260.781 -44.2254 -200.218 -44.2255 -88.5178 GPRESSURE: 4653800 -186.441 -83.0182 -114.908 38.663 -197.508 -54.6613 -169.514 55.7709 -83.0555 PRESSAVG: 4653800 19.5524 -28.2735 -30.1431 -28.2734 -30.1687 4.65577 -30.1431 4.65575 -1.06232 GPRESSAVG: 4653800 19.5264 -29.7826 -31.2724 -27.9324 -30.1551 5.33726 -26.8471 6.7133 -1.21882 TIMING: 4653800 CPU: 15017.5, 0.00314826/step Wall: 15017.5, 0.00314826/step, 0.302758 hours remaining, 234.968750 MB of memory in use. ENERGY: 4653800 3966.6077 20426.4740 14467.3493 241.6831 -202744.2592 2245.1590 0.0000 0.0000 51986.5140 -109410.4723 298.7672 -161396.9862 -109038.6488 298.8736 -184.0764 -155.6684 761544.8684 -3.8929 -3.9492 PRESSURE: 4654000 73.6096 54.58 39.0323 54.5792 234.69 -67.7742 39.0316 -67.7737 342.322 GPRESSURE: 4654000 159.764 83.0266 69.7509 54.388 158.365 -82.8652 39.2212 -28.926 411.949 PRESSAVG: 4654000 25.9763 12.4526 -1.40232 12.4527 -24.2774 9.16425 -1.40236 9.16428 11.8781 GPRESSAVG: 4654000 26.1427 16.0441 -0.770299 9.49065 -23.9428 6.79778 -4.8633 9.79913 11.8484 TIMING: 4654000 CPU: 15018.2, 0.0031387/step Wall: 15018.2, 0.0031387/step, 0.301664 hours remaining, 234.968750 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: 4654000 3955.7266 20328.0760 14487.7379 252.9855 -203549.4518 2644.8555 0.0000 0.0000 52135.7791 -109744.2912 299.6250 -161880.0703 -109379.1658 298.6800 216.8740 243.3595 760868.7619 4.5257 4.6828 PRESSURE: 4654200 -79.2562 25.9331 -21.2401 25.9318 -171.703 -48.8817 -21.2413 -48.8818 84.3234 GPRESSURE: 4654200 -74.3515 -71.5693 89.2728 -19.869 -167.372 -76.8563 -151.796 -106.046 153.712 PRESSAVG: 4654200 -5.20062 29.1073 28.8468 29.1073 -25.9241 -9.86146 28.8468 -9.86146 -2.48473 GPRESSAVG: 4654200 -4.14235 26.5659 30.3411 30.7805 -26.5125 -9.24739 28.219 -11.3793 -3.12344 TIMING: 4654200 CPU: 15018.8, 0.00313747/step Wall: 15018.8, 0.00313747/step, 0.301372 hours remaining, 234.968750 MB of memory in use. ENERGY: 4654200 3961.2122 20425.1055 14410.4836 261.7084 -203045.4878 2297.5045 0.0000 0.0000 52091.8057 -109597.6680 299.3723 -161689.4737 -109241.9617 298.7257 -55.5454 -29.3370 760913.1714 -11.2032 -11.2594 PRESSURE: 4654400 257.997 201.953 88.2431 201.953 50.8418 -172.275 88.2417 -172.275 251.824 GPRESSURE: 4654400 270.951 0.789048 107.818 176.723 70.7491 -240.159 79.1546 52.3632 291.722 PRESSAVG: 4654400 -40.2228 5.31347 -22.3666 5.31351 -6.87237 18.4114 -22.3666 18.4115 -27.9608 GPRESSAVG: 4654400 -41.3222 4.1554 -22.606 5.15119 -7.78709 18.7002 -21.206 17.9611 -26.5573 TIMING: 4654400 CPU: 15019.4, 0.00313851/step Wall: 15019.4, 0.00313851/step, 0.301297 hours remaining, 234.968750 MB of memory in use. ENERGY: 4654400 3983.9840 20352.6847 14487.4817 234.1604 -203313.1898 2566.0070 0.0000 0.0000 52249.0344 -109439.8376 300.2759 -161688.8720 -109083.4163 298.8888 186.8877 211.1405 761170.3958 -25.0187 -25.2222 PRESSURE: 4654600 110.821 8.82611 106.531 8.82593 116.727 -52.9785 106.532 -52.9771 118.084 GPRESSURE: 4654600 192.085 -24.3024 55.6674 -13.129 158.631 -77.6446 72.823 -26.9773 81.233 PRESSAVG: 4654600 -5.13245 -34.27 21.4874 -34.2701 22.0728 28.4385 21.4874 28.4386 -6.09292 GPRESSAVG: 4654600 -4.41712 -31.9768 21.4714 -35.3464 22.3178 27.1424 20.1688 29.1754 -6.99649 TIMING: 4654600 CPU: 15020, 0.00312142/step Wall: 15020, 0.00312142/step, 0.299483 hours remaining, 235.167969 MB of memory in use. ENERGY: 4654600 3969.1260 20464.5312 14539.7759 249.1774 -203371.0499 2491.2280 0.0000 0.0000 52026.0417 -109631.1697 298.9944 -161657.2115 -109269.3338 299.0020 115.2110 143.9831 763059.0696 3.6158 3.6347 PRESSURE: 4654800 233.221 33.5752 -195.585 33.5741 53.5178 22.8106 -195.585 22.8104 -75.418 GPRESSURE: 4654800 185.193 -35.1345 -303.546 44.3849 149.428 62.4046 -73.3341 -51.4738 -36.9308 PRESSAVG: 4654800 28.9431 11.1078 8.40535 11.1077 -23.2573 42.0405 8.40532 42.0405 0.186918 GPRESSAVG: 4654800 27.9392 10.9438 7.56369 10.9091 -23.6909 43.5876 11.4712 40.8767 0.906804 TIMING: 4654800 CPU: 15020.7, 0.00311052/step Wall: 15020.7, 0.00311052/step, 0.298264 hours remaining, 235.167969 MB of memory in use. ENERGY: 4654800 3996.2153 20613.0623 14617.2440 255.6116 -203426.4940 2632.5127 0.0000 0.0000 51962.8334 -109349.0149 298.6311 -161311.8483 -108993.7036 299.5153 70.4401 99.2301 760727.6496 1.9576 1.7183 PRESSURE: 4655000 114.164 -284.411 -126.839 -284.411 -234.388 60.2809 -126.839 60.2801 -95.6155 GPRESSURE: 4655000 131.113 -241.616 -158.803 -161.077 -186.424 98.6941 -134.681 -53.8115 -69.7179 PRESSAVG: 4655000 53.4365 -19.3586 -35.737 -19.3587 1.17323 30.7522 -35.7371 30.7521 22.5891 GPRESSAVG: 4655000 52.8056 -21.3216 -36.5451 -16.8658 0.974341 30.6204 -35.4147 32.2324 22.9372 TIMING: 4655000 CPU: 15021.3, 0.00313661/step Wall: 15021.3, 0.00313661/step, 0.300592 hours remaining, 235.167969 MB of memory in use. ENERGY: 4655000 3967.0855 20481.1628 14536.6784 234.8649 -203002.1055 2411.4440 0.0000 0.0000 52122.5957 -109248.2742 299.5493 -161370.8698 -108879.3807 299.4979 -71.9467 -41.6763 760668.9369 25.7329 25.5724 PRESSURE: 4655200 87.9141 -40.9618 -40.3009 -40.9619 -177.699 78.5488 -40.301 78.5491 17.2561 GPRESSURE: 4655200 102.912 36.8977 -11.3705 -30.0366 -48.7536 75.8149 202.987 -22.6687 -24.4219 PRESSAVG: 4655200 1.45158 -54.0581 -15.706 -54.058 10.8847 21.4429 -15.706 21.4429 7.23243 GPRESSAVG: 4655200 1.50645 -50.4159 -13.656 -55.5238 11.4954 21.5842 -18.1364 20.2268 6.48043 TIMING: 4655200 CPU: 15021.9, 0.00312365/step Wall: 15021.9, 0.00312365/step, 0.299176 hours remaining, 235.167969 MB of memory in use. ENERGY: 4655200 3985.8411 20426.6268 14518.3962 243.9984 -203180.1085 2578.3088 0.0000 0.0000 52074.6302 -109352.3070 299.2736 -161426.9372 -109003.0028 298.9394 -24.1761 9.9121 762152.4729 6.5229 6.4941 PRESSURE: 4655400 -49.0686 125.91 4.35337 125.911 220.497 -17.036 4.35424 -17.0356 67.509 GPRESSURE: 4655400 5.66916 6.19675 55.5662 43.33 217.492 39.3932 11.1262 -41.3316 102.646 PRESSAVG: 4655400 53.4349 -6.84208 7.10972 -6.84208 -67.6333 8.42617 7.10973 8.42613 -24.0557 GPRESSAVG: 4655400 54.7576 -9.59917 6.93209 -8.09393 -68.3024 9.40081 6.39499 6.94485 -24.3256 TIMING: 4655400 CPU: 15022.5, 0.00313592/step Wall: 15022.5, 0.00313592/step, 0.300178 hours remaining, 235.167969 MB of memory in use. ENERGY: 4655400 4074.8550 20425.9925 14542.3433 250.9414 -203471.8793 2614.0482 0.0000 0.0000 52013.5706 -109550.1284 298.9227 -161563.6990 -109192.1212 298.8419 79.6457 108.6022 760226.0414 -12.7514 -12.6235 PRESSURE: 4655600 -53.559 33.8467 14.1901 33.8468 -408.668 228.063 14.1896 228.062 -158.05 GPRESSURE: 4655600 -19.6102 123.328 -8.31933 98.4286 -339.205 314.007 36.1712 119.004 -197.447 PRESSAVG: 4655600 33.0669 -0.481619 34.8103 -0.481683 -16.9404 -27.5723 34.8103 -27.5723 13.4781 GPRESSAVG: 4655600 31.6182 1.38381 34.3256 -0.13837 -15.6206 -28.6754 36.0256 -25.0156 13.858 TIMING: 4655600 CPU: 15023.2, 0.00315663/step Wall: 15023.2, 0.00315663/step, 0.301984 hours remaining, 235.167969 MB of memory in use. ENERGY: 4655600 3961.3905 20567.5653 14519.3350 248.4639 -203544.5278 2703.4531 0.0000 0.0000 51861.7827 -109682.5373 298.0504 -161544.3200 -109319.5408 298.7918 -206.7587 -185.4209 763097.5994 9.8682 9.9519 PRESSURE: 4655800 -341.64 -31.1685 97.786 -31.1685 90.3373 -245.873 97.7865 -245.873 -591.201 GPRESSURE: 4655800 -342.232 -18.9386 66.5087 38.5742 110.011 -176.405 41.1856 -152.328 -531.083 PRESSAVG: 4655800 -12.1619 -55.0046 -11.3694 -55.0047 -49.6354 4.14837 -11.3694 4.14837 -16.5332 GPRESSAVG: 4655800 -12.4283 -55.7402 -13.4241 -51.9719 -50.0121 5.80893 -9.43983 3.32748 -16.2822 TIMING: 4655800 CPU: 15023.8, 0.00315471/step Wall: 15023.8, 0.00315471/step, 0.301625 hours remaining, 235.167969 MB of memory in use. ENERGY: 4655800 4067.2255 20478.1276 14533.2549 244.3652 -203352.9811 2595.1883 0.0000 0.0000 52030.5520 -109404.2676 299.0203 -161434.8196 -109042.3378 299.0076 -280.8344 -254.4347 761769.5329 -26.1102 -26.2409 PRESSURE: 4656000 -15.6746 -50.4079 -36.987 -50.407 79.3194 -133.172 -36.9861 -133.171 441.003 GPRESSURE: 4656000 31.6353 -195.035 -57.9207 4.96625 94.6344 -118.884 -141.6 -86.4099 455.502 PRESSAVG: 4656000 46.497 19.4903 2.5931 19.4903 -40.2171 6.66727 2.59303 6.6673 15.9868 GPRESSAVG: 4656000 46.4175 18.5633 4.49272 17.6866 -39.8211 5.13754 1.31782 8.91568 15.7144 TIMING: 4656000 CPU: 15024.4, 0.00312964/step Wall: 15024.4, 0.00312964/step, 0.299054 hours remaining, 235.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4656000 3926.4942 20505.8794 14480.1935 226.6920 -203259.2238 2467.8274 0.0000 0.0000 52149.5643 -109502.5730 299.7043 -161652.1373 -109140.1955 299.5870 168.2158 193.9238 760039.2338 7.4223 7.4369 PRESSURE: 4656200 131.51 -90.5605 -19.1763 -90.5607 548.883 -105.104 -19.1771 -105.104 270.936 GPRESSURE: 4656200 271.308 -148.177 23.6809 -168.528 426.488 5.29951 12.9541 -324.441 351.661 PRESSAVG: 4656200 -18.8231 -19.8962 -22.8928 -19.8962 31.7228 2.74013 -22.8928 2.74017 -23.9583 GPRESSAVG: 4656200 -17.4236 -17.5102 -22.0072 -20.3985 29.8101 3.14703 -26.4327 2.66381 -23.0625 TIMING: 4656200 CPU: 15025.1, 0.00311601/step Wall: 15025.1, 0.00311601/step, 0.297579 hours remaining, 235.167969 MB of memory in use. ENERGY: 4656200 4040.0260 20538.6716 14518.9955 242.5658 -203506.4560 2865.3669 0.0000 0.0000 51850.5710 -109450.2592 297.9859 -161300.8302 -109090.8618 299.3631 317.1098 349.8191 760954.0711 -3.6862 -3.5586 LDB: ============= START OF LOAD BALANCING ============== 15037.5 LDB: ============== END OF LOAD BALANCING =============== 15037.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15037.5 LDB: ============= START OF LOAD BALANCING ============== 15037.8 LDB: Largest compute 7025 load 0.035294 is 18.0% of average load 0.195646 LDB: Average compute 0.004402 is 2.3% of average load 0.195646 LDB: TIME 15037.8 LOAD: AVG 0.195646 MAX 0.21386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 15037.8 LOAD: AVG 0.195646 MAX 0.21386 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: TIME 15037.8 LOAD: AVG 0.195646 MAX 0.21386 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: ============== END OF LOAD BALANCING =============== 15037.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15037.8 PRESSURE: 4656400 166.711 -133.071 -161.326 -133.071 26.8768 -6.42326 -161.326 -6.42261 235.531 GPRESSURE: 4656400 206.059 -119.907 -99.8989 -87.3951 120.016 -136.637 -183.946 24.3474 180.926 PRESSAVG: 4656400 -1.52656 5.80202 -10.3804 5.80194 -32.8337 -13.4439 -10.3804 -13.4439 14.597 GPRESSAVG: 4656400 -1.01824 5.2001 -11.6566 7.74124 -31.9099 -12.3218 -7.09496 -15.4504 14.0124 TIMING: 4656400 CPU: 15025.7, 0.00322827/step Wall: 15025.7, 0.00322827/step, 0.30812 hours remaining, 236.031250 MB of memory in use. ENERGY: 4656400 3983.2916 20564.7878 14504.4960 256.6100 -203283.5212 2677.0940 0.0000 0.0000 52065.1183 -109232.1236 299.2190 -161297.2419 -108867.9130 299.5790 143.0395 169.0000 762281.6593 -6.5878 -6.3052 PRESSURE: 4656600 372.53 -24.2407 -47.91 -24.2406 114.635 172.465 -47.9095 172.464 -113.669 GPRESSURE: 4656600 338.478 -20.0574 -0.492703 -69.3052 192.026 146.198 -180.816 228.993 -63.1265 PRESSAVG: 4656600 42.9303 20.8141 -4.156 20.8141 10.6055 27.6377 -4.15594 27.6377 2.56119 GPRESSAVG: 4656600 41.8891 19.556 -4.17264 18.8005 10.9854 26.3362 -3.1422 27.789 3.55802 TIMING: 4656600 CPU: 15026.3, 0.00312733/step Wall: 15026.3, 0.00312733/step, 0.298313 hours remaining, 236.425781 MB of memory in use. ENERGY: 4656600 3976.2239 20496.5137 14519.3716 256.4081 -203075.4381 2452.5995 0.0000 0.0000 52184.7918 -109189.5295 299.9067 -161374.3213 -108826.2570 300.1001 124.4989 155.7923 761139.4278 18.6990 18.8108 PRESSURE: 4656800 -103.319 -24.6699 90.1566 -24.6693 -87.9771 -16.52 90.1569 -16.5197 86.8927 GPRESSURE: 4656800 -50.5682 4.85203 62.9538 45.4691 -89.0552 -45.3359 195.148 -102.978 120.228 PRESSAVG: 4656800 70.5876 1.40197 -33.3317 1.40201 -69.9635 13.5804 -33.3317 13.5804 -0.70888 GPRESSAVG: 4656800 70.1441 0.820455 -32.1469 2.65789 -69.1207 13.2411 -34.3817 12.4283 -1.68882 TIMING: 4656800 CPU: 15027, 0.00314566/step Wall: 15027, 0.00314566/step, 0.299887 hours remaining, 236.628906 MB of memory in use. ENERGY: 4656800 4016.1503 20493.9502 14497.1464 237.9826 -202983.8114 2311.8583 0.0000 0.0000 52107.8691 -109318.8544 299.4646 -161426.7236 -108956.0275 299.8115 -34.8010 -6.4650 760348.7666 -0.0283 -0.2218 PRESSURE: 4657000 -18.1148 50.6603 80.0018 50.66 241.225 286.791 80.0025 286.791 -518.488 GPRESSURE: 4657000 101.63 39.1725 32.9607 93.1827 214.958 289.204 143.234 286.198 -546.167 PRESSAVG: 4657000 47.9507 -27.4413 -31.866 -27.4412 -48.9835 2.91228 -31.866 2.91228 20.7642 GPRESSAVG: 4657000 48.3802 -26.1537 -32.9212 -26.9974 -49.2377 4.43036 -32.8938 4.40535 21.1309 TIMING: 4657000 CPU: 15027.6, 0.00313237/step Wall: 15027.6, 0.00313237/step, 0.298445 hours remaining, 236.628906 MB of memory in use. ENERGY: 4657000 3979.1525 20473.4848 14438.9004 260.6876 -203294.9952 2310.5898 0.0000 0.0000 52343.8059 -109488.3741 300.8206 -161832.1800 -109114.8428 299.6028 -98.4594 -76.5264 759781.1772 6.5771 6.7578 PRESSURE: 4657200 18.6863 138.161 -47.044 138.161 120.485 14.2215 -47.0437 14.2211 -260.76 GPRESSURE: 4657200 -14.3277 128.72 -43.5443 84.7085 212.81 65.1785 -139.29 48.7988 -236.992 PRESSAVG: 4657200 37.3707 46.2983 -31.4541 46.2983 -58.9507 70.0419 -31.4541 70.0419 -7.00029 GPRESSAVG: 4657200 38.939 47.0519 -30.1045 44.2056 -59.7874 69.9782 -32.333 70.5213 -7.44938 TIMING: 4657200 CPU: 15028.2, 0.00315657/step Wall: 15028.2, 0.00315657/step, 0.300576 hours remaining, 236.628906 MB of memory in use. ENERGY: 4657200 4000.2991 20574.0067 14522.0103 262.3281 -203429.4218 2552.8217 0.0000 0.0000 52023.1962 -109494.7598 298.9780 -161517.9560 -109147.0545 299.2311 -40.5294 -12.8366 761732.4651 -9.5268 -9.4326 PRESSURE: 4657400 -83.5637 69.8004 114.848 69.7996 -390.792 -204.45 114.85 -204.45 -164.198 GPRESSURE: 4657400 -82.8101 58.8979 117.787 155.803 -320.369 -237.85 192.917 -136.213 -132.685 PRESSAVG: 4657400 85.2475 62.4985 26.3601 62.4984 -70.5435 24.3201 26.3601 24.3201 2.49738 GPRESSAVG: 4657400 84.5808 61.8811 25.5769 63.768 -69.7751 23.4782 28.6517 24.6536 2.19194 TIMING: 4657400 CPU: 15028.8, 0.00315071/step Wall: 15028.8, 0.00315071/step, 0.299842 hours remaining, 236.828125 MB of memory in use. ENERGY: 4657400 4037.8731 20321.6580 14452.0295 254.8156 -203144.8840 2383.3566 0.0000 0.0000 52355.0635 -109340.0876 300.8853 -161695.1511 -108969.6713 299.5646 -212.8511 -178.6216 761488.9310 5.7338 5.6659 PRESSURE: 4657600 334.011 167.485 149.528 167.486 80.6898 25.6108 149.529 25.6122 67.6544 GPRESSURE: 4657600 296.709 152.668 120.789 243.632 171.238 -38.8053 210.499 180.692 90.8718 PRESSAVG: 4657600 70.0561 29.3484 -10.7153 29.3484 -54.7867 7.45336 -10.7153 7.45336 -11.1277 GPRESSAVG: 4657600 68.8328 29.4877 -11.1026 29.316 -55.5203 8.88005 -11.2285 4.59992 -10.2835 TIMING: 4657600 CPU: 15029.5, 0.00313191/step Wall: 15029.5, 0.00313191/step, 0.297879 hours remaining, 236.828125 MB of memory in use. ENERGY: 4657600 4041.7147 20549.8311 14516.1441 243.9714 -203339.6654 2550.6203 0.0000 0.0000 52023.2138 -109414.1700 298.9781 -161437.3838 -109062.7013 299.0266 160.7852 186.2729 759797.6704 1.3806 1.0097 PRESSURE: 4657800 -29.0004 169.098 -25.2979 169.098 9.71768 -5.02063 -25.2978 -5.02127 340.108 GPRESSURE: 4657800 -41.8847 117.702 -22.4955 204.595 114.132 -49.2498 -116.791 91.3874 335.136 PRESSAVG: 4657800 92.6546 18.2477 17.3338 18.2478 -50.0813 -32.1115 17.3339 -32.1114 -4.13534 GPRESSAVG: 4657800 94.1057 17.1324 18.8098 18.1231 -50.8142 -33.6317 15.2283 -28.8128 -5.14139 TIMING: 4657800 CPU: 15030.1, 0.00313063/step Wall: 15030.1, 0.00313064/step, 0.297584 hours remaining, 236.828125 MB of memory in use. ENERGY: 4657800 3974.6870 20462.3864 14493.9007 247.7621 -202936.4069 2339.3959 0.0000 0.0000 52210.3101 -109207.9647 300.0534 -161418.2748 -108838.1193 299.1727 106.9418 135.7942 761507.1925 12.8127 12.7167 PRESSURE: 4658000 -35.1802 -213.81 62.3176 -213.811 39.0395 38.1853 62.318 38.1847 28.5391 GPRESSURE: 4658000 10.0107 -270.945 61.0996 -216.526 95.9304 77.2717 -65.6822 -116.579 4.07149 PRESSAVG: 4658000 35.765 -13.4902 24.9318 -13.4902 31.7955 4.89507 24.9318 4.8951 26.4268 GPRESSAVG: 4658000 34.5838 -11.7656 24.3923 -13.7768 32.8345 6.01044 26.8622 4.35336 26.5687 TIMING: 4658000 CPU: 15030.7, 0.00312743/step Wall: 15030.7, 0.00312743/step, 0.297106 hours remaining, 236.828125 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: 4658000 4130.4458 20506.0193 14466.0442 236.3742 -203425.6030 2536.9653 0.0000 0.0000 52363.1846 -109186.5697 300.9319 -161549.7543 -108825.9031 299.9803 10.7995 36.6708 760793.6764 31.3291 31.3290 PRESSURE: 4658200 117.249 -143.31 66.4396 -143.309 -251.362 -103.323 66.4388 -103.323 305.277 GPRESSURE: 4658200 182.982 -190.505 119.778 -153.102 -176.605 -142.48 -65.2746 -2.59632 250.672 PRESSAVG: 4658200 44.9905 -25.9154 38.5033 -25.9154 -34.9806 10.2118 38.5033 10.2118 -9.11779 GPRESSAVG: 4658200 44.759 -28.5174 37.8872 -24.3209 -35.0182 9.24443 39.0917 9.96996 -8.87187 TIMING: 4658200 CPU: 15031.3, 0.00312236/step Wall: 15031.3, 0.00312236/step, 0.296451 hours remaining, 236.828125 MB of memory in use. ENERGY: 4658200 3960.6698 20666.1959 14547.7642 257.6612 -203089.3204 2411.6779 0.0000 0.0000 52127.4024 -109117.9490 299.5769 -161245.3514 -108750.3429 300.2257 57.0547 85.6831 760730.6664 0.2973 0.2896 PRESSURE: 4658400 56.9104 -125.387 60.6924 -125.386 34.3354 -178.221 60.692 -178.221 -67.9481 GPRESSURE: 4658400 71.4212 -141.166 -26.1988 -156.991 -9.62162 -156.597 33.5146 -39.3796 28.313 PRESSAVG: 4658400 79.8412 -34.786 0.818031 -34.786 -22.5333 -18.5354 0.817975 -18.5354 -2.06513 GPRESSAVG: 4658400 79.6857 -31.3146 1.80765 -37.0674 -22.1229 -17.9241 0.183577 -18.3281 -2.02437 TIMING: 4658400 CPU: 15032, 0.00313011/step Wall: 15032, 0.00313011/step, 0.297013 hours remaining, 236.828125 MB of memory in use. ENERGY: 4658400 4041.9625 20509.3976 14557.4256 240.4481 -203135.0233 2523.6154 0.0000 0.0000 52179.5470 -109082.6270 299.8766 -161262.1740 -108717.0920 299.8483 7.7659 30.0375 761811.7866 18.4143 18.5128 PRESSURE: 4658600 147.731 -46.8704 -54.8747 -46.8703 177.681 43.603 -54.8756 43.6033 24.8569 GPRESSURE: 4658600 171.941 -99.9862 -16.7008 24.6026 273.464 151.093 -83.8959 14.2533 -24.7867 PRESSAVG: 4658600 -35.5224 -8.35063 -14.8747 -8.35059 29.2646 -32.877 -14.8747 -32.877 4.5269 GPRESSAVG: 4658600 -35.7476 -10.5095 -15.5711 -6.11845 29.0482 -32.6887 -14.0587 -34.1666 4.82177 TIMING: 4658600 CPU: 15032.6, 0.00314172/step Wall: 15032.6, 0.00314172/step, 0.29794 hours remaining, 236.828125 MB of memory in use. ENERGY: 4658600 3992.4388 20626.1632 14454.0206 234.8355 -202987.4738 2427.2072 0.0000 0.0000 52304.9224 -108947.8862 300.5971 -161252.8086 -108584.6478 300.2683 116.7563 140.2059 761505.4474 -0.5770 -0.6259 PRESSURE: 4658800 198.711 47.4315 160.114 47.4313 -188.106 91.5397 160.112 91.5399 -259.407 GPRESSURE: 4658800 172.173 11.071 143.21 8.96841 -119.536 -31.8595 221.257 233.116 -223.781 PRESSAVG: 4658800 -15.6189 16.331 16.4936 16.331 16.7285 10.9638 16.4935 10.9638 -1.19308 GPRESSAVG: 4658800 -15.2981 18.5261 13.4976 14.5552 16.9172 8.84606 16.9463 12.923 -1.31223 TIMING: 4658800 CPU: 15033.2, 0.00310954/step Wall: 15033.2, 0.00310954/step, 0.294716 hours remaining, 236.828125 MB of memory in use. ENERGY: 4658800 4029.0549 20651.0793 14511.1465 249.3552 -203157.2438 2333.8197 0.0000 0.0000 52215.0964 -109167.6919 300.0809 -161382.7883 -108816.1721 300.2970 -82.9341 -57.0477 761974.4309 -0.0279 0.1023 PRESSURE: 4659000 -168.335 83.587 208.376 83.5875 -80.2896 -84.0538 208.376 -84.0546 -38.5072 GPRESSURE: 4659000 -187.4 86.1813 147.804 93.5243 27.2106 -19.889 340.495 -80.1571 -44.5958 PRESSAVG: 4659000 -9.4209 61.8889 4.90817 61.8889 24.0076 28.7142 4.90818 28.7142 3.58304 GPRESSAVG: 4659000 -8.75912 58.823 6.97181 65.1305 23.5761 28.6725 5.79247 27.9422 3.39657 TIMING: 4659000 CPU: 15033.8, 0.0031087/step Wall: 15033.8, 0.0031087/step, 0.294463 hours remaining, 236.828125 MB of memory in use. ENERGY: 4659000 4035.4244 20714.7997 14472.8443 262.1368 -203069.0638 2384.9272 0.0000 0.0000 52095.1340 -109103.7974 299.3915 -161198.9314 -108742.2175 300.1104 -95.7105 -68.2619 762634.9607 6.0566 6.0712 PRESSURE: 4659200 -222.762 -110.981 181.408 -110.982 -182.544 -102.808 181.408 -102.808 -287.949 GPRESSURE: 4659200 -216.81 -45.5972 107.837 -84.5507 -184.873 -132.927 167.785 -243.451 -205.287 PRESSAVG: 4659200 -30.0659 65.0812 -25.7613 65.0813 -34.9844 12.9913 -25.7613 12.9914 -27.839 GPRESSAVG: 4659200 -29.7194 67.5287 -24.8929 62.1012 -35.2575 13.5094 -27.0579 11.5299 -27.4524 TIMING: 4659200 CPU: 15034.5, 0.00314875/step Wall: 15034.5, 0.00314875/step, 0.298082 hours remaining, 236.828125 MB of memory in use. ENERGY: 4659200 4056.6681 20783.5228 14404.0531 251.2341 -203034.3838 2439.9639 0.0000 0.0000 51858.8385 -109240.1033 298.0335 -161098.9417 -108887.6070 299.8949 -231.0850 -202.3231 761094.0132 -30.9631 -30.8098 PRESSURE: 4659400 -155.231 -21.2293 146.589 -21.2283 -446.824 2.24445 146.589 2.24523 -379.532 GPRESSURE: 4659400 -115.75 -47.8201 152.95 -136.82 -398.35 0.256447 145.99 90.1763 -387.295 PRESSAVG: 4659400 25.2769 25.6327 -18.5992 25.6327 4.05247 45.3008 -18.5992 45.3007 -16.8866 GPRESSAVG: 4659400 25.5355 25.3094 -19.6234 26.1491 3.8132 47.5816 -19.4669 43.8563 -17.2278 TIMING: 4659400 CPU: 15035.1, 0.00312494/step Wall: 15035.1, 0.00312494/step, 0.295654 hours remaining, 236.828125 MB of memory in use. ENERGY: 4659400 4105.0842 20558.3280 14505.8215 242.0608 -202985.7253 2300.2785 0.0000 0.0000 52066.9136 -109207.2388 299.2293 -161274.1523 -108856.3279 299.4236 -327.1959 -300.4649 761864.3229 4.1476 4.0403 PRESSURE: 4659600 -6.60939 -18.5816 25.2545 -18.5811 -142.829 58.8162 25.2539 58.8167 205.013 GPRESSURE: 4659600 -9.45858 -38.1953 22.8774 11.1735 -22.6157 -4.58583 104.738 100.044 174.805 PRESSAVG: 4659600 3.05183 -44.4824 -7.50631 -44.4824 41.6049 -21.501 -7.50628 -21.5011 -7.61068 GPRESSAVG: 4659600 2.46328 -44.2034 -5.94608 -45.0409 42.8995 -23.0123 -6.6487 -18.3731 -7.91929 TIMING: 4659600 CPU: 15035.7, 0.00312735/step Wall: 15035.7, 0.00312735/step, 0.295708 hours remaining, 236.828125 MB of memory in use. ENERGY: 4659600 4012.8254 20626.3939 14465.5898 263.9283 -203246.5456 2374.1997 0.0000 0.0000 52126.2912 -109377.3173 299.5705 -161503.6085 -109021.7634 299.5050 18.5247 47.5770 760453.7478 12.3487 12.4812 PRESSURE: 4659800 -521.579 10.2364 -89.0168 10.2369 -309.54 -7.75406 -89.0157 -7.75249 332.227 GPRESSURE: 4659800 -456.149 -53.5228 -46.7812 -85.4301 -241.2 51.0962 7.43723 -105.045 291.233 PRESSAVG: 4659800 22.5168 10.1052 -18.1507 10.1052 -61.1644 18.2083 -18.1507 18.2083 -10.9202 GPRESSAVG: 4659800 22.6274 8.54371 -20.2185 10.2975 -60.934 17.7627 -17.3092 17.3841 -11.5443 TIMING: 4659800 CPU: 15036.3, 0.00312445/step Wall: 15036.3, 0.00312445/step, 0.29526 hours remaining, 236.828125 MB of memory in use. ENERGY: 4659800 3988.5635 20584.1825 14456.3731 234.6371 -203084.1086 2220.1626 0.0000 0.0000 52094.9351 -109505.2546 299.3903 -161600.1897 -109141.2544 299.3303 -166.2973 -135.3719 760721.4075 -16.5226 -16.6170 PRESSURE: 4660000 -204.058 70.0673 -57.6333 70.067 -412.992 -163.261 -57.6331 -163.261 -180.637 GPRESSURE: 4660000 -115.234 -58.2828 -109.479 76.2002 -493.741 -143.473 -102.389 -90.1658 -98.6638 PRESSAVG: 4660000 37.8347 -48.5227 -5.4832 -48.5227 -0.26193 22.0904 -5.48316 22.0903 20.7018 GPRESSAVG: 4660000 37.9786 -46.3302 -3.98382 -47.8108 -1.13805 22.7675 -7.49744 21.7116 21.7384 TIMING: 4660000 CPU: 15037, 0.00314393/step Wall: 15037, 0.00314393/step, 0.296927 hours remaining, 236.828125 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: 4660000 4041.8340 20485.4952 14408.4264 242.2886 -203220.9872 2394.3858 0.0000 0.0000 51957.2492 -109691.3080 298.5990 -161648.5572 -109332.4935 299.1046 -265.8956 -235.8798 761106.7387 19.4248 19.5263 PRESSURE: 4660200 -343.571 -76.8635 -12.0484 -76.8638 38.3691 105.492 -12.0476 105.49 26.1741 GPRESSURE: 4660200 -215.804 -53.0189 33.8322 -43.1586 28.9532 129.574 -113.471 82.9351 0.249228 PRESSAVG: 4660200 14.067 29.0396 5.03693 29.0396 -40.6185 21.7897 5.03685 21.7898 20.5744 GPRESSAVG: 4660200 15.2167 29.0964 4.47043 26.9004 -41.0059 23.0304 6.00786 20.888 20.1665 TIMING: 4660200 CPU: 15037.6, 0.00315045/step Wall: 15037.6, 0.00315045/step, 0.297367 hours remaining, 236.828125 MB of memory in use. ENERGY: 4660200 3968.9803 20523.1875 14451.8248 251.2582 -203216.9787 2418.5198 0.0000 0.0000 51757.8162 -109845.3919 297.4529 -161603.2081 -109491.3146 298.5858 -93.0094 -62.2004 761013.3603 -1.9924 -1.8742 LDB: ============= START OF LOAD BALANCING ============== 15050 LDB: ============== END OF LOAD BALANCING =============== 15050 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15050 LDB: ============= START OF LOAD BALANCING ============== 15050.3 LDB: Largest compute 7047 load 0.031710 is 16.2% of average load 0.195516 LDB: Average compute 0.004378 is 2.2% of average load 0.195516 LDB: TIME 15050.3 LOAD: AVG 0.195516 MAX 0.215439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 15050.3 LOAD: AVG 0.195516 MAX 0.215439 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 15050.3 LOAD: AVG 0.195516 MAX 0.215439 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 15050.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15050.4 PRESSURE: 4660400 -303.624 -25.2605 -6.08086 -25.2602 -476.263 50.2338 -6.0812 50.2332 218.929 GPRESSURE: 4660400 -345.826 9.00269 52.0849 46.2937 -303.203 61.2049 -54.6742 74.9847 186.4 PRESSAVG: 4660400 4.09484 6.50853 -55.7744 6.50846 -6.60414 12.2387 -55.7744 12.2387 14.2795 GPRESSAVG: 4660400 3.72844 3.49102 -55.1891 8.31461 -4.87798 11.8342 -56.7693 13.6334 13.1105 TIMING: 4660400 CPU: 15038.2, 0.00320569/step Wall: 15038.2, 0.00320569/step, 0.302403 hours remaining, 235.457031 MB of memory in use. ENERGY: 4660400 3967.2910 20528.4496 14438.9498 241.1190 -203137.2286 2278.7318 0.0000 0.0000 51999.0108 -109683.6767 298.8390 -161682.6874 -109319.4871 298.2941 -186.9857 -154.2097 760499.4544 3.9234 3.9870 PRESSURE: 4660600 -114.128 -127.033 -123.404 -127.032 262.338 -3.29737 -123.404 -3.2978 -359.422 GPRESSURE: 4660600 -106.456 -106.912 -128.968 -194.205 314.143 144.925 -65.9292 -7.93197 -346.163 PRESSAVG: 4660600 -10.8613 14.8809 -27.9598 14.8807 -16.7245 55.084 -27.9598 55.084 -3.64868 GPRESSAVG: 4660600 -10.3967 14.3511 -29.7614 15.6484 -17.9251 54.9096 -25.0299 54.2814 -3.12324 TIMING: 4660600 CPU: 15038.9, 0.00312029/step Wall: 15038.9, 0.00312029/step, 0.294174 hours remaining, 235.941406 MB of memory in use. ENERGY: 4660600 4010.2139 20644.2244 14400.3712 242.6433 -203266.5864 2550.9973 0.0000 0.0000 51889.9211 -109528.2152 298.2121 -161418.1363 -109162.7844 299.3114 -70.4043 -46.1589 762105.4928 -10.4115 -10.4817 PRESSURE: 4660800 -191.918 -148.969 57.9582 -148.969 -5.10975 5.56596 57.9579 5.56683 322.592 GPRESSURE: 4660800 -171.885 -223.298 27.4107 -73.833 47.2372 -1.27763 82.8439 99.5394 353.959 PRESSAVG: 4660800 43.0322 -1.14301 -8.22267 -1.14298 6.31032 69.1672 -8.22271 69.1671 -1.52573 GPRESSAVG: 4660800 42.3038 -0.114752 -6.43674 -1.15868 5.83795 67.5403 -11.2167 70.3909 -0.723263 TIMING: 4660800 CPU: 15039.5, 0.00315104/step Wall: 15039.5, 0.00315104/step, 0.296898 hours remaining, 235.941406 MB of memory in use. ENERGY: 4660800 4019.2270 20491.9667 14413.5553 232.4133 -203685.8387 2750.2023 0.0000 0.0000 52233.9615 -109544.5126 300.1893 -161778.4741 -109177.2737 299.3216 41.8546 76.4368 760203.2812 15.9389 15.8062 PRESSURE: 4661000 -520.764 175.615 -82.4341 175.616 -319.045 9.61406 -82.4349 9.61332 -59.2962 GPRESSURE: 4661000 -480.62 127.874 -80.0751 221.89 -299.748 46.192 1.37952 -12.4448 -22.8022 PRESSAVG: 4661000 56.3377 41.5343 59.8584 41.5343 -29.5115 -8.18308 59.8584 -8.18321 -6.04085 GPRESSAVG: 4661000 55.8805 43.3639 59.4032 41.077 -29.4173 -6.44584 59.9359 -9.71952 -6.33749 TIMING: 4661000 CPU: 15040.1, 0.0031426/step Wall: 15040.1, 0.0031426/step, 0.295928 hours remaining, 235.941406 MB of memory in use. ENERGY: 4661000 3913.4383 20481.1532 14453.0358 244.3957 -202661.2972 1994.4850 0.0000 0.0000 52105.8668 -109468.9226 299.4531 -161574.7894 -109097.6702 299.0137 -299.7016 -267.7232 760400.0093 6.9285 6.7086 PRESSURE: 4661200 332.867 -56.9893 -159.61 -56.9892 128.365 51.4998 -159.61 51.4988 -226.836 GPRESSURE: 4661200 371.346 78.5493 -150.305 -34.213 136.926 92.8366 -138.918 -19.9536 -188.102 PRESSAVG: 4661200 -29.241 40.6514 74.6815 40.6514 25.8479 -0.980764 74.6814 -0.980754 -1.55239 GPRESSAVG: 4661200 -28.1704 42.1534 73.4326 39.6677 25.8465 -0.280446 76.9047 -0.40017 -2.83006 TIMING: 4661200 CPU: 15040.8, 0.0031807/step Wall: 15040.8, 0.0031807/step, 0.299339 hours remaining, 235.941406 MB of memory in use. ENERGY: 4661200 3976.7316 20358.3492 14517.1839 247.8529 -202828.0464 2438.4159 0.0000 0.0000 51925.2778 -109364.2351 298.4153 -161289.5129 -109007.0812 299.2173 78.1316 106.7233 758678.1745 -1.6485 -1.7180 PRESSURE: 4661400 -59.0114 38.0098 31.7688 38.0098 3.16101 107.522 31.7681 107.521 -137.43 GPRESSURE: 4661400 -10.4213 -7.49181 -31.3268 5.82977 -10.6876 77.5669 67.7025 125.768 -97.8519 PRESSAVG: 4661400 -23.7962 0.254443 80.4816 0.254451 -50.0759 44.3598 80.4816 44.3598 -8.03483 GPRESSAVG: 4661400 -25.9953 -1.66962 80.2276 0.336392 -50.4151 44.4533 80.0556 45.4018 -6.01432 TIMING: 4661400 CPU: 15041.4, 0.00317094/step Wall: 15041.4, 0.00317094/step, 0.298244 hours remaining, 235.941406 MB of memory in use. ENERGY: 4661400 3999.9083 20439.0208 14499.9461 237.5328 -202852.3667 2291.1548 0.0000 0.0000 52140.8100 -109243.9939 299.6540 -161384.8040 -108884.8166 299.3829 -64.4269 -39.6536 760030.4704 -27.3023 -27.4749 PRESSURE: 4661600 49.4947 53.4588 -38.124 53.4593 -247.114 -102.106 -38.1239 -102.106 159.392 GPRESSURE: 4661600 72.6932 21.3331 -33.8292 -6.32988 -142.421 -118.859 -128.011 -33.1513 121.313 PRESSAVG: 4661600 -0.901315 66.6829 29.5185 66.6829 29.3527 -35.7095 29.5185 -35.7096 5.59996 GPRESSAVG: 4661600 -0.521539 67.6668 31.8661 67.8029 30.127 -35.9496 27.9276 -35.2078 4.39917 TIMING: 4661600 CPU: 15042, 0.00314599/step Wall: 15042, 0.00314599/step, 0.295723 hours remaining, 235.941406 MB of memory in use. ENERGY: 4661600 3980.9141 20543.0904 14508.8121 259.9179 -203140.1819 2494.4736 0.0000 0.0000 52230.3095 -109122.6643 300.1683 -161352.9738 -108753.5693 300.0139 -12.7426 17.1950 760462.2631 11.3505 11.3349 PRESSURE: 4661800 -61.8256 39.8421 99.8416 39.8418 57.4148 -45.7722 99.8422 -45.773 -59.2686 GPRESSURE: 4661800 46.2518 -46.0523 98.2167 -54.7535 42.343 -1.73851 89.5961 -100.818 -72.2326 PRESSAVG: 4661800 18.0803 99.2202 -21.9479 99.2201 32.7977 -40.7021 -21.9479 -40.7021 3.13806 GPRESSAVG: 4661800 17.3288 96.5805 -24.113 99.7407 34.3599 -40.3409 -19.3941 -42.3985 1.76231 TIMING: 4661800 CPU: 15042.7, 0.00313675/step Wall: 15042.7, 0.00313675/step, 0.294681 hours remaining, 235.941406 MB of memory in use. ENERGY: 4661800 3936.4674 20540.9698 14508.1468 252.4817 -202969.4148 2345.0258 0.0000 0.0000 52214.1650 -109172.1582 300.0755 -161386.3232 -108816.4242 300.0259 -21.2265 5.4541 761715.6316 18.0053 17.8170 PRESSURE: 4662000 359.86 -156.402 -156.07 -156.403 -313.478 -98.9924 -156.071 -98.9925 -206.541 GPRESSURE: 4662000 257.281 -242.911 -224.281 -98.2537 -238.206 -78.8675 -176.977 -189.992 -107.997 PRESSAVG: 4662000 8.48045 30.3137 13.3362 30.3137 -31.3579 13.5707 13.3362 13.5706 -21.8185 GPRESSAVG: 4662000 8.98547 31.7107 13.3729 29.192 -33.7405 14.1252 11.9931 13.0027 -20.0526 TIMING: 4662000 CPU: 15043.3, 0.00313029/step Wall: 15043.3, 0.00313029/step, 0.293899 hours remaining, 235.941406 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: 4662000 4138.2170 20606.6083 14488.7116 254.4441 -203473.1808 2610.1684 0.0000 0.0000 52264.8068 -109110.2246 300.3666 -161375.0314 -108756.9275 300.1933 -53.3863 -29.6405 760181.4019 -14.8987 -14.9359 PRESSURE: 4662200 -453.584 78.0702 34.7468 78.0704 -262.115 175.905 34.7477 175.904 -4.70182 GPRESSURE: 4662200 -342.952 154.063 40.1304 64.7147 -290.903 147.274 90.6744 88.3706 -5.2781 PRESSAVG: 4662200 -2.45094 10.3524 -15.608 10.3523 9.85793 22.7678 -15.6081 22.7678 0.00621753 GPRESSAVG: 4662200 -2.10528 10.742 -16.4352 9.91064 9.23246 21.3819 -17.2682 25.3293 -0.165647 TIMING: 4662200 CPU: 15043.9, 0.00314806/step Wall: 15043.9, 0.00314806/step, 0.295393 hours remaining, 235.941406 MB of memory in use. ENERGY: 4662200 4023.7754 20473.3774 14516.1207 218.7858 -202869.9060 2359.0319 0.0000 0.0000 51926.9339 -109351.8810 298.4248 -161278.8149 -108999.9162 300.2067 -240.1335 -213.0442 762455.3285 2.4711 2.3205 PRESSURE: 4662400 205.504 24.0703 -132.308 24.07 -107.613 70.5912 -132.307 70.5917 456.797 GPRESSURE: 4662400 231.902 -46.4935 -111.505 102.773 14.3406 -26.6681 -146.762 139.952 414.512 PRESSAVG: 4662400 -2.56951 64.7662 -18.0837 64.7661 37.3692 2.77876 -18.0837 2.77878 8.84138 GPRESSAVG: 4662400 -2.82401 63.9825 -15.9622 65.3497 37.3805 2.62431 -18.4864 1.34326 9.5703 TIMING: 4662400 CPU: 15044.5, 0.00315329/step Wall: 15044.5, 0.00315329/step, 0.295708 hours remaining, 235.941406 MB of memory in use. ENERGY: 4662400 3928.6976 20400.6368 14477.7816 234.1210 -203059.5085 2508.3147 0.0000 0.0000 52103.8930 -109406.0637 299.4418 -161509.9567 -109029.9778 300.0514 184.8961 220.2515 760435.7285 14.5470 14.7089 PRESSURE: 4662600 -185.213 -98.7872 13.2045 -98.7875 57.7782 -311.949 13.2041 -311.947 129.787 GPRESSURE: 4662600 -103.111 -45.5798 56.0455 -181.061 62.4475 -446.136 -13.3265 -314.879 109.6 PRESSAVG: 4662600 3.71468 -4.22687 -66.3578 -4.22686 -58.1906 13.9471 -66.3578 13.9471 -21.0699 GPRESSAVG: 4662600 4.26716 -2.75822 -68.0607 -3.26464 -58.2539 16.2603 -64.3645 14.925 -21.5896 TIMING: 4662600 CPU: 15045.2, 0.00313755/step Wall: 15045.2, 0.00313755/step, 0.294058 hours remaining, 235.941406 MB of memory in use. ENERGY: 4662600 3943.7576 20452.4012 14534.8759 239.3856 -203713.3682 2688.1787 0.0000 0.0000 52431.8522 -109422.9170 301.3266 -161854.7692 -109053.0903 299.5127 0.7841 22.9789 760771.9163 -25.1819 -25.1921 PRESSURE: 4662800 -219.318 168.567 369.401 168.567 -229.333 37.8267 369.401 37.8266 127.184 GPRESSURE: 4662800 -211.09 180.329 405.508 275.934 -199.804 117.013 299 -58.573 180.273 PRESSAVG: 4662800 -31.7699 -4.83492 0.561135 -4.83493 39.6881 -13.422 0.561188 -13.422 -11.7419 GPRESSAVG: 4662800 -31.7661 -4.68458 2.45534 -5.21204 39.9343 -14.4202 2.00092 -14.6786 -11.9015 TIMING: 4662800 CPU: 15045.8, 0.00311866/step Wall: 15045.8, 0.00311866/step, 0.292115 hours remaining, 235.996094 MB of memory in use. ENERGY: 4662800 3959.9671 20247.8178 14554.2257 259.9904 -203168.2404 2576.9018 0.0000 0.0000 52129.8504 -109439.4872 299.5910 -161569.3375 -109064.9554 299.0885 -107.1560 -76.8735 762575.0014 -1.2746 -1.2444 PRESSURE: 4663000 -160.281 116.583 -24.3713 116.584 -430.911 -140.03 -24.3711 -140.031 -263.63 GPRESSURE: 4663000 -118.828 76.5923 23.95 98.8765 -402.063 -86.6215 93.2101 -47.5087 -247.6 PRESSAVG: 4663000 65.0488 24.5483 -38.7316 24.5484 -37.2216 -43.6605 -38.7316 -43.6606 -0.796697 GPRESSAVG: 4663000 65.819 23.4022 -39.7675 23.8224 -36.9092 -44.4955 -41.0792 -42.1146 -1.86983 TIMING: 4663000 CPU: 15046.4, 0.00312442/step Wall: 15046.4, 0.00312442/step, 0.29248 hours remaining, 235.996094 MB of memory in use. ENERGY: 4663000 3973.5209 20465.8807 14507.7457 239.4230 -202880.6960 2134.5286 0.0000 0.0000 51973.9040 -109585.6931 298.6947 -161559.5971 -109223.2636 299.2724 -284.9407 -256.1637 760349.2376 9.0102 9.0133 PRESSURE: 4663200 57.4051 -20.0901 125.438 -20.0905 382.946 -133.197 125.438 -133.198 228.859 GPRESSURE: 4663200 91.5722 29.0676 100.056 -8.18057 365.064 -50.6256 60.2347 -191.351 324.441 PRESSAVG: 4663200 19.4392 33.2158 27.2773 33.2158 3.86011 17.1291 27.2773 17.1291 -13.3204 GPRESSAVG: 4663200 18.7452 32.8014 29.1256 33.9934 3.67044 17.6601 26.7089 16.6885 -12.0071 TIMING: 4663200 CPU: 15047, 0.00313769/step Wall: 15047, 0.00313769/step, 0.293548 hours remaining, 235.996094 MB of memory in use. ENERGY: 4663200 3942.8027 20527.9250 14466.8364 245.6785 -203342.4626 2630.2276 0.0000 0.0000 51948.2679 -109580.7246 298.5474 -161528.9924 -109219.1798 298.6710 223.0698 260.3591 760270.6874 3.3263 3.4695 PRESSURE: 4663400 -75.0767 11.6432 47.1054 11.6447 71.2255 -17.8112 47.1052 -17.8114 170.156 GPRESSURE: 4663400 -50.3012 -40.8962 57.7983 -27.1316 101.562 -175.911 42.8799 -28.2281 215.017 PRESSAVG: 4663400 -13.5667 38.7586 -22.2278 38.7585 20.4292 -12.0464 -22.2278 -12.0464 7.71447 GPRESSAVG: 4663400 -14.0456 37.7266 -24.0577 40.2521 19.8335 -13.9096 -21.016 -10.5681 8.41654 TIMING: 4663400 CPU: 15047.7, 0.00312988/step Wall: 15047.7, 0.00312988/step, 0.292644 hours remaining, 235.996094 MB of memory in use. ENERGY: 4663400 3909.6029 20523.6576 14526.0837 259.7086 -203226.0734 2472.6931 0.0000 0.0000 52127.8225 -109406.5051 299.5793 -161534.3276 -109038.5490 298.8208 55.4348 88.7590 759943.0384 4.8590 4.7348 PRESSURE: 4663600 320.323 58.0448 -3.37176 58.0452 284.289 -181.744 -3.37213 -181.744 196.461 GPRESSURE: 4663600 328.667 148.014 19.4528 47.0613 381.039 -96.7451 31.8365 -125.571 191.51 PRESSAVG: 4663600 -10.4308 38.2539 -49.391 38.254 6.64791 0.685287 -49.3911 0.685337 13.8269 GPRESSAVG: 4663600 -9.87202 39.6243 -48.57 36.1144 7.69163 2.75459 -49.1189 -0.643841 12.0228 TIMING: 4663600 CPU: 15048.3, 0.00312018/step Wall: 15048.3, 0.00312018/step, 0.291564 hours remaining, 235.996094 MB of memory in use. ENERGY: 4663600 3864.2808 20579.1732 14555.4671 250.9734 -203374.5992 2751.3468 0.0000 0.0000 51783.3613 -109589.9966 297.5997 -161373.3579 -109239.9174 298.8186 267.0242 300.4055 761087.3921 3.3480 3.2808 PRESSURE: 4663800 76.448 -75.1829 21.3957 -75.183 83.6213 -25.7479 21.3956 -25.7473 496.203 GPRESSURE: 4663800 99.18 -169.824 -24.4864 3.15231 123.534 81.9403 41.603 -38.2954 498.049 PRESSAVG: 4663800 29.679 42.0861 -25.7198 42.0859 41.3585 -41.5004 -25.7198 -41.5004 -20.4623 GPRESSAVG: 4663800 30.1378 40.0316 -26.9302 44.7043 40.4249 -39.5928 -24.4606 -42.1278 -19.981 TIMING: 4663800 CPU: 15048.9, 0.00314338/step Wall: 15048.9, 0.00314338/step, 0.293557 hours remaining, 235.996094 MB of memory in use. ENERGY: 4663800 3880.1285 20583.3332 14469.2733 245.0678 -203399.9518 2495.9255 0.0000 0.0000 51942.7943 -109783.4293 298.5160 -161726.2236 -109426.8363 298.9141 218.7574 240.2543 759057.0913 16.8584 16.8606 PRESSURE: 4664000 45.3304 -194.648 -75.7413 -194.648 -17.5254 -134.876 -75.7424 -134.876 -63.1127 GPRESSURE: 4664000 69.9548 -94.9843 -45.536 -124.747 33.5821 -131.523 -136.448 -197.291 -48.5972 PRESSAVG: 4664000 -20.8024 -46.6936 -47.8383 -46.6936 12.293 14.6222 -47.8383 14.6222 0.211078 GPRESSAVG: 4664000 -20.639 -44.1256 -46.0942 -47.7271 12.3829 13.3119 -50.7741 14.6936 -0.102098 TIMING: 4664000 CPU: 15049.5, 0.00312179/step Wall: 15049.5, 0.00312179/step, 0.291367 hours remaining, 235.996094 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: 4664000 3974.7055 20502.7431 14473.6856 239.7227 -203688.0270 2728.5570 0.0000 0.0000 52256.0303 -109512.5827 300.3161 -161768.6130 -109154.1519 299.1111 -11.7692 18.3132 760546.6989 -2.7661 -2.7861 PRESSURE: 4664200 -92.6639 84.8836 67.6421 84.8836 154.818 7.57622 67.6415 7.57619 -23.6668 GPRESSURE: 4664200 -47.1676 123.43 20.3808 -36.839 225.584 -24.8693 92.4426 -55.3475 -28.7371 PRESSAVG: 4664200 72.0431 26.2169 30.1387 26.2169 -58.6506 -46.0104 30.1388 -46.0104 -2.38201 GPRESSAVG: 4664200 72.0374 23.0246 29.1278 26.9308 -57.5554 -45.5625 30.712 -45.8157 -2.94866 TIMING: 4664200 CPU: 15050.2, 0.00312179/step Wall: 15050.2, 0.00312178/step, 0.291193 hours remaining, 235.996094 MB of memory in use. ENERGY: 4664200 3979.9411 20508.2856 14498.0661 258.8137 -203731.6519 2655.2067 0.0000 0.0000 52259.4492 -109571.8895 300.3358 -161831.3387 -109208.8560 299.2314 12.8290 49.8931 761041.5646 3.6702 3.8444 LDB: ============= START OF LOAD BALANCING ============== 15062.6 LDB: ============== END OF LOAD BALANCING =============== 15062.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15062.6 LDB: ============= START OF LOAD BALANCING ============== 15062.9 LDB: Largest compute 7049 load 0.033439 is 17.1% of average load 0.195568 LDB: Average compute 0.004378 is 2.2% of average load 0.195568 LDB: TIME 15062.9 LOAD: AVG 0.195568 MAX 0.213599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 15062.9 LOAD: AVG 0.195568 MAX 0.213599 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 15062.9 LOAD: AVG 0.195568 MAX 0.213599 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 15062.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15062.9 PRESSURE: 4664400 -206.396 -21.6301 -77.1124 -21.6288 -375.215 95.6507 -77.1122 95.6528 -87.9165 GPRESSURE: 4664400 -160.058 -89.8226 -54.439 -74.2391 -295.111 -27.2735 145.359 140.427 -130.549 PRESSAVG: 4664400 8.84249 2.97758 -23.1576 2.97758 -20.0823 45.1701 -23.1576 45.1701 10.4261 GPRESSAVG: 4664400 8.70714 5.85307 -23.6779 3.31527 -20.5688 42.6632 -21.5723 45.6282 10.8882 TIMING: 4664400 CPU: 15050.8, 0.00317159/step Wall: 15050.8, 0.00317159/step, 0.295662 hours remaining, 235.136719 MB of memory in use. ENERGY: 4664400 4021.4651 20334.5438 14506.2176 249.6896 -203235.0416 2263.3682 0.0000 0.0000 52069.3858 -109790.3714 299.2435 -161859.7572 -109433.9031 299.2000 -223.1760 -195.2393 760318.8033 -0.2712 -0.3245 PRESSURE: 4664600 179.432 -68.527 -0.203765 -68.5268 305.452 -151.047 -0.202773 -151.047 -275.815 GPRESSURE: 4664600 143.796 -163.826 24.8958 -52.2208 306.152 -121.701 -76.1891 -137.002 -182.805 PRESSAVG: 4664600 40.5696 54.8287 18.2081 54.8287 -34.895 27.7719 18.2082 27.7719 -8.43494 GPRESSAVG: 4664600 38.5112 52.1085 18.0698 51.8285 -34.2621 27.9022 17.9941 26.622 -7.12773 TIMING: 4664600 CPU: 15051.4, 0.003133/step Wall: 15051.4, 0.003133/step, 0.291891 hours remaining, 235.593750 MB of memory in use. ENERGY: 4664600 3964.1068 20465.6941 14583.6316 246.2174 -203699.5968 2594.5542 0.0000 0.0000 52064.3931 -109780.9996 299.2148 -161845.3926 -109415.8060 298.6284 69.6897 89.0477 759086.3114 -0.9201 -0.9596 PRESSURE: 4664800 -274.824 -184.726 4.24998 -184.725 -473.752 -69.3036 4.25087 -69.3036 -516.426 GPRESSURE: 4664800 -218.604 -53.502 11.8461 -176.4 -492.981 -60.0677 -15.8493 -181.049 -482.638 PRESSAVG: 4664800 -5.53975 20.1535 -0.371291 20.1535 -16.1974 24.898 -0.37131 24.898 -8.02136 GPRESSAVG: 4664800 -4.46722 22.1806 -0.0206876 20.5137 -17.2516 25.1618 -3.28034 25.9367 -8.87252 TIMING: 4664800 CPU: 15052.1, 0.00313264/step Wall: 15052.1, 0.00313264/step, 0.291684 hours remaining, 235.593750 MB of memory in use. ENERGY: 4664800 4031.4994 20345.5068 14514.7173 242.9860 -203488.5869 2595.4643 0.0000 0.0000 51983.9207 -109774.4924 298.7523 -161758.4132 -109407.5731 297.9907 -421.6674 -398.0741 761507.5585 -9.9195 -10.1971 PRESSURE: 4665000 -113.591 -130.766 201.28 -130.766 28.2703 -167.691 201.28 -167.692 8.79039 GPRESSURE: 4665000 -23.7059 -129.07 237.939 -85.8598 -5.2375 -218.817 211.223 4.04706 55.0027 PRESSAVG: 4665000 30.5841 -9.15185 61.9377 -9.15187 -31.5623 -4.74535 61.9377 -4.74538 -18.6523 GPRESSAVG: 4665000 31.207 -8.7134 60.9551 -8.17876 -32.0246 -4.79517 63.7322 -3.80177 -18.406 TIMING: 4665000 CPU: 15052.7, 0.0031471/step Wall: 15052.7, 0.0031471/step, 0.292856 hours remaining, 235.593750 MB of memory in use. ENERGY: 4665000 4026.2557 20562.0435 14525.6991 251.4465 -203622.4419 2770.8866 0.0000 0.0000 51814.4433 -109671.6672 297.7783 -161486.1105 -109312.1900 298.2912 -25.5100 8.6864 761982.7525 -6.5435 -6.4079 PRESSURE: 4665200 -80.1045 -8.10941 -53.6536 -8.10937 -119.929 76.7526 -53.6533 76.7537 226.396 GPRESSURE: 4665200 -86.6278 118.691 6.25101 32.934 -5.37143 72.6971 -90.9709 14.9198 207.461 PRESSAVG: 4665200 2.08978 -8.22431 -10.3048 -8.22431 -43.7597 -26.1012 -10.3048 -26.1012 -4.16535 GPRESSAVG: 4665200 1.78372 -8.58804 -10.1188 -6.3353 -42.945 -26.283 -8.699 -25.5389 -4.5454 TIMING: 4665200 CPU: 15053.3, 0.00313784/step Wall: 15053.3, 0.00313784/step, 0.291819 hours remaining, 235.593750 MB of memory in use. ENERGY: 4665200 3982.9156 20555.8655 14473.8517 252.9499 -203294.4826 2513.6540 0.0000 0.0000 51929.9811 -109585.2648 298.4423 -161515.2459 -109230.5455 298.5390 8.7873 38.4873 759640.2893 -15.2784 -15.2355 PRESSURE: 4665400 85.0508 -76.1379 -171.845 -76.1397 -15.9886 157.772 -171.846 157.773 -22.7101 GPRESSURE: 4665400 56.2096 -75.9782 -254.736 -90.959 85.2691 127.551 -93.1906 106.61 -11.6348 PRESSAVG: 4665400 34.2713 -11.5735 -14.2079 -11.5735 -6.71881 -21.2721 -14.208 -21.2722 -7.97362 GPRESSAVG: 4665400 33.1953 -13.3737 -13.0694 -13.7421 -6.62903 -21.7484 -16.3928 -21.8555 -7.14027 TIMING: 4665400 CPU: 15054, 0.00316341/step Wall: 15054, 0.00316341/step, 0.294021 hours remaining, 235.593750 MB of memory in use. ENERGY: 4665400 3973.9209 20465.2044 14485.9405 248.4573 -203214.5995 2499.4650 0.0000 0.0000 52156.6957 -109384.9156 299.7452 -161541.6113 -109020.4183 299.1822 15.4507 43.2813 761593.3656 6.5263 6.4753 PRESSURE: 4665600 -295.044 168.726 61.0977 168.726 -281.673 -84.1943 61.0972 -84.1934 -35.1228 GPRESSURE: 4665600 -261.625 177.937 -3.97518 76.5226 -209.141 -89.7335 172.997 14.6854 -51.9076 PRESSAVG: 4665600 3.81648 12.9605 -6.63298 12.9605 -35.9111 -16.0687 -6.63293 -16.0687 20.7014 GPRESSAVG: 4665600 4.69896 13.5351 -7.38066 12.5492 -36.0688 -16.4032 -5.49314 -14.3271 20.017 TIMING: 4665600 CPU: 15054.6, 0.00312978/step Wall: 15054.6, 0.00312978/step, 0.290722 hours remaining, 235.593750 MB of memory in use. ENERGY: 4665600 4035.6907 20440.7756 14515.7430 224.8618 -202906.6580 2301.4901 0.0000 0.0000 51859.0628 -109529.0339 298.0347 -161388.0967 -109174.4732 298.6707 -203.9465 -174.2243 760781.1779 -3.7977 -3.7843 PRESSURE: 4665800 105.281 -9.97708 179.644 -9.97821 96.1353 33.247 179.645 33.247 -34.4396 GPRESSURE: 4665800 132.416 126.287 129.663 111.81 131.187 30.2069 -3.89942 110.096 -4.37845 PRESSAVG: 4665800 -27.7356 32.8597 8.3797 32.8597 -3.29996 66.5955 8.37972 66.5954 -4.51808 GPRESSAVG: 4665800 -27.2862 34.4537 7.78574 32.7832 -3.96299 66.395 9.72117 65.9448 -4.12498 TIMING: 4665800 CPU: 15055.2, 0.00315186/step Wall: 15055.2, 0.00315186/step, 0.292598 hours remaining, 235.593750 MB of memory in use. ENERGY: 4665800 3962.0590 20616.1201 14510.3536 255.7219 -203382.8869 2630.5924 0.0000 0.0000 52057.7121 -109350.3277 299.1764 -161408.0398 -108991.0085 298.9269 55.6587 86.4084 761129.2333 -11.8512 -11.7914 PRESSURE: 4666000 190.585 -35.8703 164.769 -35.8705 -314.866 -23.7045 164.769 -23.7036 -146.89 GPRESSURE: 4666000 274.038 137.79 180.036 -99.2634 -258.153 84.2767 96.3703 49.0573 -197.537 PRESSAVG: 4666000 24.6728 -5.21753 31.9892 -5.21749 -8.28824 0.707554 31.9892 0.707516 -18.6828 GPRESSAVG: 4666000 24.2025 -6.17149 34.0462 -3.90018 -7.27986 2.81559 28.1927 1.66092 -19.1904 TIMING: 4666000 CPU: 15055.8, 0.0031593/step Wall: 15055.8, 0.0031593/step, 0.293113 hours remaining, 235.593750 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: 4666000 3963.6022 20384.4356 14507.8797 240.5493 -203107.5370 2346.4211 0.0000 0.0000 52184.6023 -109480.0468 299.9056 -161664.6491 -109111.4850 298.9520 -90.3902 -60.5507 760614.9599 -0.7661 -0.7559 PRESSURE: 4666200 -51.7827 -4.32159 56.6511 -4.32183 -127.871 -227.429 56.6513 -227.43 18.2431 GPRESSURE: 4666200 -51.8544 -12.3262 0.481211 -63.1664 -32.832 -249.551 136.245 -144.981 19.4854 PRESSAVG: 4666200 43.1243 2.36955 19.6671 2.36953 -61.5054 -26.4264 19.667 -26.4264 -13.089 GPRESSAVG: 4666200 43.6707 2.19685 19.6086 2.36059 -62.3187 -26.3321 19.829 -27.0755 -12.6103 TIMING: 4666200 CPU: 15056.5, 0.00311555/step Wall: 15056.5, 0.00311555/step, 0.288881 hours remaining, 235.593750 MB of memory in use. ENERGY: 4666200 3942.8881 20500.6872 14486.2964 250.1800 -202793.8771 2346.5509 0.0000 0.0000 51741.3814 -109525.8930 297.3584 -161267.2744 -109161.1115 298.7496 -53.8034 -21.7337 762515.3322 -10.4900 -10.4194 PRESSURE: 4666400 173.914 -101.098 -222.354 -101.098 -26.1159 -4.86104 -222.354 -4.86077 -92.7932 GPRESSURE: 4666400 262.999 -216.488 -207.664 -70.9572 -22.1703 -42.0381 -286.203 -16.4618 -99.7348 PRESSAVG: 4666400 19.632 37.8496 -36.5089 37.8496 -7.07901 7.32108 -36.5088 7.32106 5.3471 GPRESSAVG: 4666400 19.5504 35.9589 -38.6777 39.9309 -6.79687 7.03977 -34.1355 5.91239 5.37798 TIMING: 4666400 CPU: 15057.1, 0.00312755/step Wall: 15057.1, 0.00312755/step, 0.289819 hours remaining, 235.593750 MB of memory in use. ENERGY: 4666400 4009.3656 20404.7823 14480.5818 251.3689 -203328.5388 2451.4361 0.0000 0.0000 52055.6549 -109675.3492 299.1646 -161731.0041 -109299.3321 298.1766 18.3351 47.0313 761883.0876 5.9667 6.0438 PRESSURE: 4666600 -491.149 37.3616 35.5592 37.3613 -555.511 39.269 35.5592 39.2698 274.162 GPRESSURE: 4666600 -415.317 -163.267 19.7378 33.1618 -510.641 82.1856 98.8152 -0.222933 219.906 PRESSAVG: 4666600 11.8286 -37.0367 -13.4363 -37.0367 -11.1699 25.5693 -13.4363 25.5693 6.28894 GPRESSAVG: 4666600 12.3266 -36.5288 -12.8058 -39.8377 -11.5793 23.8879 -15.05 28.4064 6.12024 TIMING: 4666600 CPU: 15057.7, 0.00312906/step Wall: 15057.7, 0.00312906/step, 0.289786 hours remaining, 235.593750 MB of memory in use. ENERGY: 4666600 4064.0751 20527.2303 14516.1132 243.3551 -202912.8947 2060.9034 0.0000 0.0000 51825.0938 -109676.1239 297.8395 -161501.2177 -109312.5263 298.7225 -257.4996 -235.3510 762117.3906 2.3159 2.2892 PRESSURE: 4666800 -180.734 -130.185 352.685 -130.186 -311.309 -72.3796 352.685 -72.3789 -70.4786 GPRESSURE: 4666800 -50.3948 -35.2882 256.706 -96.0504 -411.66 -92.5802 268.184 -95.1454 -39.7794 PRESSAVG: 4666800 28.4405 -1.67925 20.8002 -1.67927 -61.5302 54.5634 20.8002 54.5633 1.18806 GPRESSAVG: 4666800 27.3687 -0.959169 20.0789 -0.586013 -60.8887 54.5503 23.9098 53.8023 1.88713 TIMING: 4666800 CPU: 15058.3, 0.00312006/step Wall: 15058.3, 0.00312006/step, 0.288779 hours remaining, 235.593750 MB of memory in use. ENERGY: 4666800 4015.9894 20322.5926 14498.8664 235.6846 -203050.2754 2312.4261 0.0000 0.0000 52133.6439 -109531.0724 299.6128 -161664.7163 -109158.6866 298.9743 -187.5071 -167.2780 761433.1170 -10.6339 -10.5443 PRESSURE: 4667000 250.903 -254.979 -146.215 -254.98 324.229 92.6187 -146.215 92.619 70.1841 GPRESSURE: 4667000 294.188 -298.3 -131.562 -114.072 358.601 67.9756 -149.791 84.7686 81.0119 PRESSAVG: 4667000 66.3207 -36.1351 -0.756142 -36.1351 -53.1551 48.1389 -0.756165 48.139 -5.15654 GPRESSAVG: 4667000 67.2443 -36.0329 -1.56136 -36.5319 -52.1021 48.7921 -2.55259 47.2719 -6.88789 TIMING: 4667000 CPU: 15059, 0.00310494/step Wall: 15059, 0.00310494/step, 0.287207 hours remaining, 235.593750 MB of memory in use. ENERGY: 4667000 3943.0037 20511.0954 14541.8756 240.7136 -203425.8446 2699.0800 0.0000 0.0000 52104.4272 -109385.6491 299.4449 -161490.0763 -109030.5043 299.5711 215.1054 244.6003 759501.6674 2.6697 2.7514 PRESSURE: 4667200 27.6583 -66.1672 141.887 -66.1682 -31.4584 -21.908 141.887 -21.9095 52.6997 GPRESSURE: 4667200 84.7994 -111.188 44.383 -39.3273 -87.7813 -62.6358 147.979 -21.5019 135.1 PRESSAVG: 4667200 44.8719 -46.2734 10.7445 -46.2733 -59.6561 26.6846 10.7445 26.6846 6.04582 GPRESSAVG: 4667200 44.5337 -44.6153 11.7335 -46.0997 -60.3241 28.2223 11.3792 27.306 7.10756 TIMING: 4667200 CPU: 15059.6, 0.00312016/step Wall: 15059.6, 0.00312016/step, 0.288442 hours remaining, 235.593750 MB of memory in use. ENERGY: 4667200 3953.7969 20354.3797 14541.0301 231.5230 -202960.7758 2465.9900 0.0000 0.0000 52104.3423 -109309.7138 299.4444 -161414.0561 -108942.4178 299.6135 16.2999 44.0392 761645.7021 -2.9128 -2.8943 PRESSURE: 4667400 -188.601 79.9255 5.49307 79.9256 66.5991 -114.356 5.49395 -114.357 169.81 GPRESSURE: 4667400 -175.547 105.599 31.1644 29.3446 101.624 -89.9313 24.1523 -134.808 196.661 PRESSAVG: 4667400 19.0487 50.672 3.89087 50.672 -12.3101 19.5584 3.89079 19.5583 18.8457 GPRESSAVG: 4667400 18.4994 50.3299 5.28928 50.072 -12.6545 17.9745 2.11483 19.3923 19.5125 TIMING: 4667400 CPU: 15060.2, 0.00314841/step Wall: 15060.2, 0.00314841/step, 0.290879 hours remaining, 235.593750 MB of memory in use. ENERGY: 4667400 4025.6146 20571.7521 14448.4655 239.8107 -203334.2456 2589.7278 0.0000 0.0000 52235.3901 -109223.4847 300.1975 -161458.8749 -108866.9399 299.6781 15.9358 40.9123 761204.1042 8.5281 8.4525 PRESSURE: 4667600 -256.357 143.874 -26.4327 143.874 -130.364 -16.0795 -26.4329 -16.0782 7.82703 GPRESSURE: 4667600 -194.146 43.7811 -30.673 77.4264 -66.4548 -38.1105 -57.7403 -92.2191 -32.3682 PRESSAVG: 4667600 112.479 -18.6305 7.06197 -18.6305 -70.2987 -12.8779 7.06198 -12.878 17.8498 GPRESSAVG: 4667600 112.59 -21.0413 7.69122 -19.9724 -69.3256 -12.0845 8.26893 -12.9811 16.7039 TIMING: 4667600 CPU: 15060.8, 0.00313933/step Wall: 15060.8, 0.00313933/step, 0.289864 hours remaining, 235.593750 MB of memory in use. ENERGY: 4667600 3990.4308 20464.9200 14533.1500 228.5332 -203155.2966 2502.0692 0.0000 0.0000 52456.1506 -108980.0428 301.4662 -161436.1934 -108625.3511 300.0976 -126.2980 -97.6563 760957.5718 20.0101 19.9895 PRESSURE: 4667800 -264.88 77.3264 112.257 77.3258 -203.012 271.418 112.257 271.418 153.848 GPRESSURE: 4667800 -220.678 138.685 131.685 11.3673 -110.734 306.423 142.832 259.297 114.891 PRESSAVG: 4667800 30.0494 2.44032 33.0561 2.44028 -34.3923 85.1623 33.056 85.1623 -10.729 GPRESSAVG: 4667800 31.234 3.85594 31.4188 5.34945 -33.737 84.9144 32.3439 84.9966 -12.1047 TIMING: 4667800 CPU: 15061.5, 0.00313101/step Wall: 15061.5, 0.00313101/step, 0.288922 hours remaining, 235.593750 MB of memory in use. ENERGY: 4667800 3981.4856 20461.1661 14463.0738 256.8764 -202829.8489 2181.5178 0.0000 0.0000 52317.7719 -109167.9573 300.6710 -161485.7292 -108795.2632 299.9640 -104.6810 -72.1737 762296.5855 -5.0240 -4.8693 PRESSURE: 4668000 -20.2868 3.34639 132.327 3.34568 -353.682 17.7541 132.328 17.7534 193.761 GPRESSURE: 4668000 -45.1108 -74.369 146.833 -40.3334 -226.003 -8.86967 83.6708 127.365 181.525 PRESSAVG: 4668000 10.7925 -16.4981 2.20909 -16.4981 10.5708 45.9842 2.20915 45.9841 1.72617 GPRESSAVG: 4668000 9.78112 -16.6624 3.5861 -17.1944 10.0151 45.4537 1.36084 48.0637 3.39796 TIMING: 4668000 CPU: 15062.1, 0.003135/step Wall: 15062.1, 0.003135/step, 0.289116 hours remaining, 235.593750 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: 4668000 3914.2876 20564.7173 14468.0969 255.2095 -202760.5012 2281.8080 0.0000 0.0000 52216.0171 -109060.3647 300.0862 -161276.3818 -108689.7833 299.5700 -60.0694 -29.8630 761754.0636 7.6965 7.7314 PRESSURE: 4668200 -297.393 -222.743 -4.98578 -222.743 -165.776 16.2293 -4.98531 16.2288 -94.4282 GPRESSURE: 4668200 -273.759 -266.572 -12.885 -210.25 -83.5382 49.1673 89.6314 0.93296 -119.02 PRESSAVG: 4668200 12.6955 21.3612 -30.5934 21.3612 5.8801 17.174 -30.5934 17.1739 -5.33489 GPRESSAVG: 4668200 13.3933 22.1816 -30.3609 20.8165 5.69059 17.5922 -29.7991 15.5819 -5.47633 TIMING: 4668200 CPU: 15062.7, 0.00312771/step Wall: 15062.7, 0.00312771/step, 0.288271 hours remaining, 235.593750 MB of memory in use. ENERGY: 4668200 3985.3391 20526.7094 14397.5434 240.7804 -203040.4886 2204.9307 0.0000 0.0000 52458.3863 -109226.7992 301.4791 -161685.1855 -108851.5863 300.1401 -185.8659 -158.7726 761910.9546 4.4136 4.5359 LDB: ============= START OF LOAD BALANCING ============== 15075.1 LDB: ============== END OF LOAD BALANCING =============== 15075.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15075.1 LDB: ============= START OF LOAD BALANCING ============== 15075.5 LDB: Largest compute 7024 load 0.031730 is 16.2% of average load 0.195566 LDB: Average compute 0.004381 is 2.2% of average load 0.195566 LDB: TIME 15075.5 LOAD: AVG 0.195566 MAX 0.212296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.207 MB LDB: TIME 15075.5 LOAD: AVG 0.195566 MAX 0.212296 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.207 MB LDB: TIME 15075.5 LOAD: AVG 0.195566 MAX 0.212296 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.207 MB LDB: ============== END OF LOAD BALANCING =============== 15075.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15075.5 PRESSURE: 4668400 304.31 -28.4287 89.7485 -28.4284 -137.868 19.1757 89.7486 19.1761 -63.102 GPRESSURE: 4668400 303.901 -65.2156 65.2143 32.4096 -153.586 -113.235 9.4409 8.53693 24.5698 PRESSAVG: 4668400 26.3907 2.9708 1.07825 2.97072 -54.9697 -44.663 1.07822 -44.663 14.298 GPRESSAVG: 4668400 26.3601 0.231867 2.34388 2.84157 -54.7473 -43.9072 0.861498 -44.423 13.8276 TIMING: 4668400 CPU: 15063.4, 0.00321196/step Wall: 15063.4, 0.00321196/step, 0.295857 hours remaining, 234.882812 MB of memory in use. ENERGY: 4668400 3990.7959 20372.6203 14493.8397 255.4875 -203205.5606 2535.0282 0.0000 0.0000 52414.4089 -109143.3801 301.2263 -161557.7890 -108774.7718 299.8973 34.4466 58.2949 762711.1327 -4.7603 -4.8532 PRESSURE: 4668600 14.0079 235.422 221.967 235.422 187.537 84.2689 221.967 84.2682 107.665 GPRESSURE: 4668600 49.3089 128.727 190.452 178.295 246.989 137.135 168.98 74.1827 104.341 PRESSAVG: 4668600 32.5824 6.62153 31.4775 6.62156 -13.9596 12.8131 31.4775 12.8132 -1.72653 GPRESSAVG: 4668600 31.3174 8.98643 28.7062 8.84786 -14.4285 12.5677 31.8634 13.6048 0.188807 TIMING: 4668600 CPU: 15064, 0.0031281/step Wall: 15064, 0.0031281/step, 0.287959 hours remaining, 235.140625 MB of memory in use. ENERGY: 4668600 3890.1081 20658.8597 14474.4442 227.5875 -202952.0925 2488.9213 0.0000 0.0000 51977.3678 -109234.8039 298.7146 -161212.1717 -108880.0196 299.6827 103.0699 133.5462 760875.3728 5.6321 5.6925 PRESSURE: 4668800 0.610265 67.0971 103.371 67.0974 302.335 4.7196 103.371 4.72007 178.041 GPRESSURE: 4668800 104.345 -1.10367 70.4934 -61.0576 277.493 -46.5501 185.364 -52.808 194.264 PRESSAVG: 4668800 62.9279 33.9533 -56.1159 33.9534 -30.521 44.0587 -56.1159 44.0586 11.4419 GPRESSAVG: 4668800 63.813 33.2984 -57.6046 31.5953 -29.5757 43.5664 -53.8091 41.8984 9.97829 TIMING: 4668800 CPU: 15064.6, 0.00313024/step Wall: 15064.6, 0.00313024/step, 0.287983 hours remaining, 235.140625 MB of memory in use. ENERGY: 4668800 3997.8441 20430.1796 14603.6613 241.9025 -203645.2569 2660.1002 0.0000 0.0000 52238.9289 -109472.6404 300.2178 -161711.5692 -109105.3282 299.8296 160.3288 192.0342 761607.4848 14.6162 14.7385 PRESSURE: 4669000 398.48 -288.768 47.9672 -288.767 91.6521 142.015 47.9677 142.015 -286.252 GPRESSURE: 4669000 451.463 -268.328 6.58094 -245.693 78.902 152.129 -26.2765 123.929 -230.018 PRESSAVG: 4669000 -1.44721 -3.71888 16.0836 -3.71887 -32.9518 15.9028 16.0836 15.9029 -10.7317 GPRESSAVG: 4669000 -2.16577 -5.53968 18.388 -3.46233 -33.3989 17.4029 15.0739 13.7052 -10.2016 TIMING: 4669000 CPU: 15065.2, 0.00313192/step Wall: 15065.2, 0.00313192/step, 0.287963 hours remaining, 235.140625 MB of memory in use. ENERGY: 4669000 3948.6665 20383.5459 14509.9888 247.4546 -203510.7858 2782.6344 0.0000 0.0000 52085.2431 -109553.2525 299.3346 -161638.4956 -109177.3972 299.2451 67.9600 100.1157 763002.0321 -15.0436 -15.2554 PRESSURE: 4669200 -91.2513 -201.503 124.651 -201.504 401.661 54.0207 124.652 54.0215 82.2914 GPRESSURE: 4669200 -33.5248 -275.088 118.393 -173.002 470.574 7.33597 197.922 140.008 36.533 PRESSAVG: 4669200 24.1435 -22.5927 -15.9243 -22.5927 -68.1204 9.05586 -15.9243 9.05592 28.3746 GPRESSAVG: 4669200 24.8636 -19.8844 -17.1571 -22.2817 -68.3371 8.42139 -17.4302 12.9632 28.2019 TIMING: 4669200 CPU: 15065.9, 0.00312189/step Wall: 15065.9, 0.00312189/step, 0.286867 hours remaining, 235.140625 MB of memory in use. ENERGY: 4669200 3974.1465 20620.6483 14475.2761 254.2504 -203474.2667 2738.5796 0.0000 0.0000 51823.7985 -109587.5673 297.8321 -161411.3658 -109236.2064 299.1532 130.9005 157.8606 761905.3574 -5.2008 -5.0905 PRESSURE: 4669400 -149.133 -21.869 -283.457 -21.8684 -104.555 -227.904 -283.456 -227.905 249.141 GPRESSURE: 4669400 -188.041 70.4194 -314 -6.43911 -37.7042 -225.568 -199.675 -128.188 317.019 PRESSAVG: 4669400 5.0147 -36.1845 7.7018 -36.1845 -28.4038 10.7574 7.70189 10.7574 -19.8682 GPRESSAVG: 4669400 4.61434 -37.3939 7.15583 -35.9275 -27.9303 11.438 9.06682 10.2795 -20.0479 TIMING: 4669400 CPU: 15066.5, 0.00312398/step Wall: 15066.5, 0.00312398/step, 0.286886 hours remaining, 235.140625 MB of memory in use. ENERGY: 4669400 3998.6314 20429.9018 14426.6391 241.3483 -203159.2137 2536.6276 0.0000 0.0000 52030.2458 -109495.8196 299.0185 -161526.0654 -109142.0397 298.9612 -1.5158 30.4245 763196.5614 -14.4191 -14.4546 PRESSURE: 4669600 361.336 -199.382 127.972 -199.382 -297.042 -44.9776 127.973 -44.9772 406.649 GPRESSURE: 4669600 268.29 -220.244 117.408 -220.768 -154.446 -91.0431 -13.5099 -127.217 449.088 PRESSAVG: 4669600 14.2307 -2.46146 -61.4081 -2.46146 -25.6275 -15.0252 -61.408 -15.0253 -22.2084 GPRESSAVG: 4669600 11.8022 -2.53106 -59.351 -1.98712 -23.8303 -16.8135 -62.2775 -15.4813 -22.2196 TIMING: 4669600 CPU: 15067.1, 0.00310831/step Wall: 15067.1, 0.00310831/step, 0.285274 hours remaining, 235.140625 MB of memory in use. ENERGY: 4669600 3839.3392 20518.5226 14477.3524 238.2936 -202783.0866 2159.2874 0.0000 0.0000 51966.9279 -109583.3635 298.6546 -161550.2914 -109231.3499 299.5533 156.9809 187.6444 762166.5147 -11.2018 -11.4159 PRESSURE: 4669800 377.637 156.297 -187.837 156.297 -81.7685 27.3899 -187.836 27.3907 82.0684 GPRESSURE: 4669800 456.885 115.516 -76.7004 122.588 -28.6954 19.3424 -70.0515 -28.4892 12.2311 PRESSAVG: 4669800 -5.03386 -41.2423 -9.68425 -41.2423 10.2105 15.5911 -9.6842 15.5912 14.486 GPRESSAVG: 4669800 -2.29996 -40.6993 -10.3786 -41.97 8.38627 17.271 -7.64912 16.6149 13.9799 TIMING: 4669800 CPU: 15067.7, 0.00311472/step Wall: 15067.7, 0.00311472/step, 0.285689 hours remaining, 235.175781 MB of memory in use. ENERGY: 4669800 3948.0484 20518.0607 14522.5971 240.4149 -203276.3310 2466.6246 0.0000 0.0000 52056.9497 -109523.6355 299.1720 -161580.5853 -109148.9783 299.4997 125.9789 146.8071 761390.6155 6.5542 6.6887 PRESSURE: 4670000 -105.632 1.05767 254.433 1.05801 -11.7864 -89.7743 254.433 -89.7742 -319.675 GPRESSURE: 4670000 -57.6314 -21.6267 133.069 -60.3335 -39.2039 -210.373 284.29 -39.8354 -271.687 PRESSAVG: 4670000 42.321 -1.63935 41.8113 -1.63933 -3.63743 -5.37968 41.8113 -5.37977 0.0661033 GPRESSAVG: 4670000 41.8463 0.642215 41.5112 -4.44603 -3.4342 -5.80265 41.1941 -4.24073 0.361103 TIMING: 4670000 CPU: 15068.4, 0.00313008/step Wall: 15068.4, 0.00313008/step, 0.286924 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4670000 3967.5430 20459.2424 14488.4004 249.9950 -202822.8945 2480.1167 0.0000 0.0000 51702.2084 -109475.3887 297.1333 -161177.5970 -109118.3608 299.1247 -145.6979 -122.8409 762220.3912 12.9166 12.9244 PRESSURE: 4670200 -380.768 -104.624 -172.649 -104.625 42.7285 24.1193 -172.649 24.1189 -333.985 GPRESSURE: 4670200 -304.776 -202.799 -140.453 -147.265 123.053 84.336 -57.9175 -157.347 -367.875 PRESSAVG: 4670200 24.4719 9.27838 39.9655 9.27832 -17.6204 -15.0483 39.9655 -15.0484 -5.60647 GPRESSAVG: 4670200 23.7995 7.52086 39.5611 11.56 -16.5041 -11.8617 40.7037 -18.7526 -5.17215 TIMING: 4670200 CPU: 15069, 0.00314366/step Wall: 15069, 0.00314366/step, 0.287995 hours remaining, 235.175781 MB of memory in use. ENERGY: 4670200 3982.1968 20284.9862 14483.1327 225.3945 -202972.0221 2452.9709 0.0000 0.0000 52196.6585 -109346.6824 299.9749 -161543.3410 -108986.6785 299.1919 -224.0082 -183.1994 763005.3389 0.4150 0.7077 PRESSURE: 4670400 28.3519 60.4935 48.6437 60.4933 -201.796 -55.531 48.6441 -55.5301 47.6 GPRESSURE: 4670400 80.604 0.0512724 54.4783 21.0538 -219.323 -74.7362 -67.7197 -45.5911 76.2006 PRESSAVG: 4670400 -52.2854 11.8475 35.3057 11.8475 -10.8645 -11.3462 35.3057 -11.3462 1.76502 GPRESSAVG: 4670400 -51.9932 11.5668 35.248 12.292 -11.5057 -15.0895 32.7677 -10.3856 2.25346 TIMING: 4670400 CPU: 15069.6, 0.00313154/step Wall: 15069.6, 0.00313154/step, 0.28671 hours remaining, 235.175781 MB of memory in use. ENERGY: 4670400 4123.9733 20650.9877 14477.7221 238.9784 -203369.6449 2593.6412 0.0000 0.0000 52212.5712 -109071.7709 300.0664 -161284.3421 -108709.1383 299.8735 -41.9480 -20.8393 763658.3611 -20.4616 -20.4152 PRESSURE: 4670600 -245.117 8.51755 -209.516 8.51725 -118.934 29.6015 -209.516 29.6016 -502.251 GPRESSURE: 4670600 -187.44 118.5 -180.726 -1.12523 -106.999 13.881 -129.824 36.9436 -500.706 PRESSAVG: 4670600 1.31471 39.1074 42.4529 39.1074 37.558 27.6903 42.4528 27.6901 -6.97143 GPRESSAVG: 4670600 1.50608 39.9595 44.1513 38.3195 37.1622 28.2397 42.6931 29.5483 -7.14909 TIMING: 4670600 CPU: 15070.2, 0.00311856/step Wall: 15070.2, 0.00311855/step, 0.285348 hours remaining, 235.175781 MB of memory in use. ENERGY: 4670600 3995.4575 20385.8415 14469.6548 240.1869 -202802.8802 2219.4819 0.0000 0.0000 52362.3716 -109129.8860 300.9273 -161492.2576 -108761.0948 299.6792 -288.7673 -265.0483 763535.2451 10.6338 10.5064 PRESSURE: 4670800 199.964 12.5131 -20.4886 12.5139 51.1672 -110.135 -20.4886 -110.135 -445.623 GPRESSURE: 4670800 125.338 121.598 11.8757 -49.824 201.425 -135.17 39.7557 -103.701 -433.744 PRESSAVG: 4670800 -38.5308 12.5997 -1.16821 12.5998 -6.40925 0.978405 -1.16826 0.978463 23.4015 GPRESSAVG: 4670800 -39.2929 14.8816 -2.26441 13.3344 -5.82977 2.35787 -0.454252 -1.49607 23.1497 TIMING: 4670800 CPU: 15070.9, 0.00310522/step Wall: 15070.9, 0.00310522/step, 0.283955 hours remaining, 235.175781 MB of memory in use. ENERGY: 4670800 3997.7861 20665.0260 14471.6401 249.3450 -203186.7211 2619.0259 0.0000 0.0000 52147.4860 -109036.4119 299.6923 -161183.8979 -108665.7237 299.9065 -64.8307 -35.6603 761357.4598 -7.1795 -7.3243 PRESSURE: 4671000 -11.1343 100.49 -147.276 100.491 -130.595 8.22243 -147.275 8.22276 -122.492 GPRESSURE: 4671000 -84.8497 147.258 -221.134 103.124 -42.7609 76.2801 -43.8732 -9.88531 -45.0716 PRESSAVG: 4671000 -8.17574 16.4205 -3.38652 16.4206 6.48136 -12.91 -3.38652 -12.91 -9.41878 GPRESSAVG: 4671000 -7.95806 15.7429 -2.26088 16.4601 7.17648 -13.5948 0.0539665 -13.1158 -10.2451 TIMING: 4671000 CPU: 15071.5, 0.00312414/step Wall: 15071.5, 0.00312414/step, 0.285512 hours remaining, 235.175781 MB of memory in use. ENERGY: 4671000 3944.4693 20579.7202 14534.1053 270.0039 -203113.7181 2698.8582 0.0000 0.0000 52199.9266 -108886.6346 299.9937 -161086.5612 -108518.0839 300.2633 -88.0737 -57.5607 762365.9364 -3.7044 -3.6755 PRESSURE: 4671200 8.92591 -41.8131 -51.3238 -41.8134 291.505 48.6022 -51.324 48.6017 -105.346 GPRESSURE: 4671200 154.554 -30.699 -130.575 -138.776 300.447 47.3453 72.4659 10.0071 -167.277 PRESSAVG: 4671200 -15.7869 -17.3705 64.5924 -17.3706 42.8367 -17.9429 64.5924 -17.9428 0.0435795 GPRESSAVG: 4671200 -15.8313 -18.3062 64.5292 -17.8516 41.765 -17.604 60.5197 -17.7092 0.934399 TIMING: 4671200 CPU: 15072.1, 0.00312257/step Wall: 15072.1, 0.00312257/step, 0.285195 hours remaining, 235.175781 MB of memory in use. ENERGY: 4671200 4014.8033 20611.6186 14453.5302 240.1197 -203295.5689 2880.0861 0.0000 0.0000 52080.9673 -109014.4436 299.3100 -161095.4109 -108658.0937 300.2300 65.0284 95.9080 761789.2162 9.0311 8.9560 PRESSURE: 4671400 -49.213 106.442 -48.3875 106.441 -36.4057 -387.722 -48.3877 -387.723 -357.932 GPRESSURE: 4671400 -6.81905 38.576 -70.0393 80.7695 -34.5217 -402.747 10.3062 -389.028 -310.907 PRESSAVG: 4671400 -2.78453 -74.3871 45.8626 -74.387 7.43609 -4.74885 45.8627 -4.74876 5.6233 GPRESSAVG: 4671400 -2.17374 -75.6979 44.2256 -74.9441 6.38331 -4.22377 47.2538 -3.63199 6.0364 TIMING: 4671400 CPU: 15072.7, 0.00310653/step Wall: 15072.7, 0.00310653/step, 0.283557 hours remaining, 235.175781 MB of memory in use. ENERGY: 4671400 4000.4412 20478.7410 14474.2703 245.0260 -203016.2744 2363.0468 0.0000 0.0000 52284.5534 -109170.1957 300.4800 -161454.7491 -108795.3254 300.2565 -147.8503 -117.4161 762661.1512 3.4250 3.4153 PRESSURE: 4671600 458.202 -172.984 92.4776 -172.983 -105.134 55.226 92.478 55.227 -139.155 GPRESSURE: 4671600 399.501 -163.867 130.782 -197.333 -54.9246 -46.9719 9.6127 128.603 -51.599 PRESSAVG: 4671600 41.5052 -4.93226 73.4932 -4.93223 -19.703 -8.66821 73.4932 -8.66811 1.70754 GPRESSAVG: 4671600 40.378 -1.61094 73.9892 -5.36087 -19.0453 -10.7158 72.72 -6.44947 1.93287 TIMING: 4671600 CPU: 15073.4, 0.00311052/step Wall: 15073.4, 0.00311052/step, 0.283748 hours remaining, 235.175781 MB of memory in use. ENERGY: 4671600 3960.6303 20586.0328 14435.4556 245.3511 -203859.6523 2947.7563 0.0000 0.0000 52346.2648 -109338.1615 300.8347 -161684.4263 -108959.4351 299.6856 71.3043 97.6592 759489.4511 7.8366 7.7552 PRESSURE: 4671800 -194.734 27.4362 135.535 27.4361 46.487 100.571 135.535 100.571 -70.6496 GPRESSURE: 4671800 -6.65009 94.0191 31.8778 12.5558 33.9519 55.9931 106.727 11.692 -150.873 PRESSAVG: 4671800 -39.8737 -41.6472 24.1627 -41.6473 21.2335 5.9412 24.1626 5.94118 -12.1774 GPRESSAVG: 4671800 -38.0393 -45.853 25.4759 -40.1503 20.1982 5.70694 23.2952 2.96593 -13.435 TIMING: 4671800 CPU: 15074, 0.00314271/step Wall: 15074, 0.0031427/step, 0.28651 hours remaining, 235.175781 MB of memory in use. ENERGY: 4671800 3928.7131 20482.6781 14454.0644 231.6393 -203107.2784 2409.9701 0.0000 0.0000 52010.4783 -109589.7351 298.9049 -161600.2134 -109226.3433 299.2165 -72.9656 -41.1904 761720.0968 -10.2725 -10.4253 PRESSURE: 4672000 -50.4754 99.0059 -243.636 99.0061 132.413 55.3338 -243.635 55.3342 -22.6528 GPRESSURE: 4672000 -57.5782 152.252 -225.358 -19.2794 215.779 21.8111 -174.204 16.088 -16.8281 PRESSAVG: 4672000 66.3246 42.4645 -12.5416 42.4644 -58.0866 28.2704 -12.5416 28.2705 -9.0237 GPRESSAVG: 4672000 64.7162 43.9737 -14.3324 40.9103 -57.8983 28.8136 -10.8521 28.8465 -8.12396 TIMING: 4672000 CPU: 15074.6, 0.00315366/step Wall: 15074.6, 0.00315366/step, 0.287333 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4672000 4025.5663 20589.9409 14477.2690 241.8727 -203555.4180 2609.1843 0.0000 0.0000 52128.2656 -109483.3192 299.5819 -161611.5848 -109119.4253 298.9676 19.7616 47.1241 761327.4643 -0.2619 -0.4353 PRESSURE: 4672200 236.541 109.248 28.9737 109.248 155.407 416.762 28.9745 416.762 573.958 GPRESSURE: 4672200 309.968 75.7364 3.45694 126.813 170.511 426.266 -4.03757 396.935 568.028 PRESSAVG: 4672200 8.70266 38.8459 -60.1346 38.8459 -12.8953 36.8181 -60.1346 36.8182 14.7437 GPRESSAVG: 4672200 7.94035 38.4014 -58.6392 40.5693 -13.3088 36.5613 -60.0116 37.4144 15.5747 TIMING: 4672200 CPU: 15075.2, 0.00313867/step Wall: 15075.2, 0.00313867/step, 0.285793 hours remaining, 235.175781 MB of memory in use. ENERGY: 4672200 3960.8300 20449.0159 14509.8357 233.0151 -203839.8205 2734.3263 0.0000 0.0000 52313.4445 -109639.3529 300.6461 -161952.7975 -109281.2873 299.3183 321.9685 349.5026 758644.4480 3.5170 3.4021 LDB: ============= START OF LOAD BALANCING ============== 15087.7 LDB: ============== END OF LOAD BALANCING =============== 15087.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15087.7 LDB: ============= START OF LOAD BALANCING ============== 15088 LDB: Largest compute 7024 load 0.033235 is 17.0% of average load 0.195636 LDB: Average compute 0.004377 is 2.2% of average load 0.195636 LDB: TIME 15088 LOAD: AVG 0.195636 MAX 0.213378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.004 MB LDB: TIME 15088 LOAD: AVG 0.195636 MAX 0.213378 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: TIME 15088 LOAD: AVG 0.195636 MAX 0.213378 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: ============== END OF LOAD BALANCING =============== 15088 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15088 PRESSURE: 4672400 84.0838 73.2686 -20.1719 73.2686 143.451 68.2121 -20.1719 68.2125 11.3929 GPRESSURE: 4672400 96.0905 140.021 -115.618 -5.31431 195.156 38.0431 99.5318 62.5653 25.1719 PRESSAVG: 4672400 63.9122 -14.2992 -54.0429 -14.2992 -59.958 32.6417 -54.0429 32.6417 -10.2917 GPRESSAVG: 4672400 63.9015 -16.323 -53.8997 -15.0791 -58.4047 33.7931 -55.6817 33.5392 -11.4374 TIMING: 4672400 CPU: 15075.9, 0.00321625/step Wall: 15075.9, 0.00321625/step, 0.292678 hours remaining, 235.652344 MB of memory in use. ENERGY: 4672400 3938.0697 20296.4102 14563.5042 264.5607 -203279.6578 2719.9040 0.0000 0.0000 52006.3164 -109490.8927 298.8810 -161497.2091 -109126.1522 299.5150 79.6426 105.4729 759148.3907 -2.1125 -1.9802 PRESSURE: 4672600 48.7096 261.076 -65.9518 261.076 -180.724 274.702 -65.9526 274.702 157.247 GPRESSURE: 4672600 48.0785 263.73 25.3088 234.165 -115.524 320.328 -53.1374 248.406 177.503 PRESSAVG: 4672600 42.6826 36.698 -16.4911 36.698 -2.07678 63.457 -16.4911 63.457 36.9676 GPRESSAVG: 4672600 43.6016 38.4782 -16.2354 36.0247 -3.15446 62.0525 -18.164 62.5191 37.1439 TIMING: 4672600 CPU: 15076.5, 0.00313414/step Wall: 15076.5, 0.00313415/step, 0.285033 hours remaining, 235.652344 MB of memory in use. ENERGY: 4672600 3975.9875 20523.6740 14550.7834 240.9994 -203253.1117 2491.3991 0.0000 0.0000 52245.6777 -109224.5907 300.2566 -161470.2684 -108864.1390 299.7226 8.4108 36.6859 761546.2256 25.8578 25.8637 PRESSURE: 4672800 -172.635 -55.2801 -148.154 -55.2802 -235.603 12.7672 -148.154 12.7664 -77.1949 GPRESSURE: 4672800 -184.046 67.4175 -285.744 -114.922 -75.6968 -13.152 -17.6809 21.1452 -118.66 PRESSAVG: 4672800 28.053 39.7499 -12.6647 39.7499 -74.0274 35.4926 -12.6648 35.4925 -2.4381 GPRESSAVG: 4672800 28.3479 40.3252 -15.1031 38.4842 -73.5631 36.9238 -8.04546 34.3679 -3.15833 TIMING: 4672800 CPU: 15077.1, 0.00311791/step Wall: 15077.1, 0.00311791/step, 0.283383 hours remaining, 235.652344 MB of memory in use. ENERGY: 4672800 3950.1599 20370.3324 14484.9624 250.4392 -202997.9597 2560.7884 0.0000 0.0000 52128.6962 -109252.5811 299.5843 -161381.2773 -108884.4098 299.9340 -161.8112 -126.1343 761464.6478 -16.1375 -16.1245 PRESSURE: 4673000 -97.8347 174.615 228.645 174.615 -53.2344 -254.523 228.646 -254.523 83.8525 GPRESSURE: 4673000 41.3523 164.302 163.549 18.9445 -69.1327 -141.61 72.7595 -383.282 65.2963 PRESSAVG: 4673000 47.3975 -6.41096 48.0173 -6.41086 -61.6971 -12.412 48.0173 -12.4121 -11.4503 GPRESSAVG: 4673000 47.4582 -6.72273 50.9505 -5.46531 -62.4945 -13.3608 44.7637 -11.2949 -10.8215 TIMING: 4673000 CPU: 15077.8, 0.00312197/step Wall: 15077.8, 0.00312197/step, 0.283579 hours remaining, 235.652344 MB of memory in use. ENERGY: 4673000 3868.0652 20618.4264 14534.3877 234.2063 -203285.4029 2522.6800 0.0000 0.0000 52427.4691 -109080.1683 301.3014 -161507.6375 -108717.9991 300.1967 -22.4056 12.5053 760805.7846 -8.5833 -8.6192 PRESSURE: 4673200 117.676 -49.2143 125.287 -49.214 186.554 137.62 125.287 137.62 -82.0291 GPRESSURE: 4673200 165.807 -17.5134 204.039 -77.4317 203.759 154.473 134.793 110.339 -85.8217 PRESSAVG: 4673200 66.1885 8.78999 -27.5311 8.78998 -64.461 72.8175 -27.531 72.8174 9.1838 GPRESSAVG: 4673200 64.8834 7.59695 -28.8765 9.73621 -63.1569 73.2441 -26.4655 72.5752 9.74457 TIMING: 4673200 CPU: 15078.4, 0.003133/step Wall: 15078.4, 0.003133/step, 0.284407 hours remaining, 235.652344 MB of memory in use. ENERGY: 4673200 3973.9492 20504.4696 14494.0086 263.5363 -203399.7794 2582.1261 0.0000 0.0000 52217.8351 -109363.8546 300.0966 -161581.6897 -108995.2891 300.1798 74.0668 94.5814 761849.9221 3.6371 3.8237 PRESSURE: 4673400 398.394 154.182 -131.147 154.182 -345.961 60.0465 -131.148 60.0461 209.424 GPRESSURE: 4673400 384.983 191.731 -93.1007 105.899 -323.833 114.664 -241.212 24.5028 268.021 PRESSAVG: 4673400 56.2471 24.505 5.98692 24.5049 -45.654 8.59541 5.98689 8.59535 20.7944 GPRESSAVG: 4673400 58.1569 24.5816 5.23302 24.4029 -46.8302 8.11423 5.32513 9.13739 20.1415 TIMING: 4673400 CPU: 15079, 0.00314513/step Wall: 15079, 0.00314513/step, 0.285333 hours remaining, 235.722656 MB of memory in use. ENERGY: 4673400 4036.5636 20496.2366 14634.1791 241.6406 -203847.7043 2782.0418 0.0000 0.0000 52205.9242 -109451.1185 300.0282 -161657.0427 -109092.1513 299.4767 87.2855 109.7236 760423.5235 10.4625 10.4894 PRESSURE: 4673600 58.6893 -111.484 -22.7036 -111.483 -298.31 238.254 -22.703 238.255 311.267 GPRESSURE: 4673600 141.724 -59.5501 -76.4424 17.9221 -202.341 248.269 93.0135 214.073 216.168 PRESSAVG: 4673600 45.5116 -13.7057 -30.144 -13.7056 -11.9666 4.25384 -30.144 4.25388 3.37764 GPRESSAVG: 4673600 44.8849 -13.4967 -28.9757 -13.1695 -11.9539 4.29762 -29.9829 3.37294 3.87782 TIMING: 4673600 CPU: 15079.6, 0.0031481/step Wall: 15079.6, 0.0031481/step, 0.285428 hours remaining, 235.722656 MB of memory in use. ENERGY: 4673600 4045.7315 20559.2248 14453.7237 238.5771 -203335.2947 2654.4367 0.0000 0.0000 52141.9903 -109241.6106 299.6607 -161383.6009 -108894.1190 300.0029 23.8822 51.8502 762121.7679 12.3075 12.2696 PRESSURE: 4673800 -64.4674 134.595 -52.1738 134.595 -316.843 1.86314 -52.1746 1.8625 129.077 GPRESSURE: 4673800 -60.8054 100.399 -51.9218 157.789 -238.209 -15.0095 -2.80893 -62.2092 124.931 PRESSAVG: 4673800 13.1041 1.7669 -10.9633 1.76687 12.3572 30.2434 -10.9632 30.2435 -10.0994 GPRESSAVG: 4673800 12.3701 1.36928 -11.1286 1.65307 12.6896 29.8851 -11.6234 28.6119 -9.56818 TIMING: 4673800 CPU: 15080.3, 0.00312585/step Wall: 15080.3, 0.00312585/step, 0.283237 hours remaining, 235.722656 MB of memory in use. ENERGY: 4673800 3969.7986 20552.0446 14527.3078 247.5612 -203198.0348 2359.0225 0.0000 0.0000 52116.7891 -109425.5109 299.5159 -161542.3000 -109070.9900 299.8386 -84.0776 -58.0278 761347.4185 5.1206 5.1638 PRESSURE: 4674000 226.594 -135.13 193.946 -135.131 15.8133 202.753 193.946 202.754 -173.954 GPRESSURE: 4674000 143.273 -107.242 219.66 -269.522 109.935 295.586 -38.6082 161.617 -92.3566 PRESSAVG: 4674000 77.0448 -30.514 16.4959 -30.514 -43.7459 10.0217 16.4959 10.0217 31.3057 GPRESSAVG: 4674000 78.5248 -27.6748 17.349 -31.366 -45.2136 10.5554 16.7978 12.8192 31.1147 TIMING: 4674000 CPU: 15080.9, 0.00313492/step Wall: 15080.9, 0.00313491/step, 0.283884 hours remaining, 235.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 4025.0657 20433.6116 14426.8666 249.7488 -203270.5429 2748.6923 0.0000 0.0000 51877.9987 -109508.5592 298.1436 -161386.5578 -109156.1445 299.0900 22.8175 53.6172 762581.5786 21.5348 21.4753 PRESSURE: 4674200 -134.343 52.5942 -126.088 52.5936 -418.547 54.2393 -126.089 54.2404 -345.532 GPRESSURE: 4674200 -49.3167 86.6158 -129.178 3.78675 -412.049 51.4475 -119.716 60.6278 -349.652 PRESSAVG: 4674200 44.6807 -22.6947 5.81855 -22.6947 -35.6072 9.56022 5.8185 9.56034 -12.1691 GPRESSAVG: 4674200 44.3586 -25.3991 3.88627 -22.0915 -35.5043 8.69637 7.25043 7.09008 -12.4535 TIMING: 4674200 CPU: 15081.5, 0.00316579/step Wall: 15081.5, 0.00316579/step, 0.286504 hours remaining, 235.792969 MB of memory in use. ENERGY: 4674200 4013.0986 20493.3337 14467.2139 232.7407 -203273.6308 2561.0410 0.0000 0.0000 52007.5618 -109498.6410 298.8882 -161506.2028 -109149.1201 299.1245 -299.4736 -270.3393 761426.3472 -1.0319 -1.1997 PRESSURE: 4674400 50.0775 11.4315 -204.47 11.4308 202.371 -216.228 -204.471 -216.228 -163.914 GPRESSURE: 4674400 -14.7552 55.2622 -227.771 -40.0018 268.061 -143.876 -192.122 -86.9168 -75.8838 PRESSAVG: 4674400 -11.327 -31.7707 12.0551 -31.7707 38.023 5.08577 12.0551 5.0858 -0.359346 GPRESSAVG: 4674400 -11.521 -28.6717 13.2889 -31.3096 37.8903 5.41413 12.8118 6.6066 0.129362 TIMING: 4674400 CPU: 15082.2, 0.00315431/step Wall: 15082.2, 0.00315431/step, 0.28529 hours remaining, 235.792969 MB of memory in use. ENERGY: 4674400 4016.2172 20476.1801 14545.3820 252.1908 -203432.1008 2720.8951 0.0000 0.0000 52081.1251 -109340.1105 299.3109 -161421.2356 -108976.4894 299.2991 29.5116 59.1406 760115.4715 8.7789 8.8329 PRESSURE: 4674600 411.931 -165.869 69.6016 -165.87 239.363 -110.044 69.6016 -110.045 330.09 GPRESSURE: 4674600 415.22 -283.795 15.6307 20.0592 294.265 -94.6008 207.429 -153.02 345.026 PRESSAVG: 4674600 32.3811 -25.8965 -29.3829 -25.8964 -3.54852 18.0241 -29.3829 18.024 15.7903 GPRESSAVG: 4674600 31.7621 -28.573 -30.2279 -26.8844 -3.06345 18.8744 -30.3456 16.5525 15.9513 TIMING: 4674600 CPU: 15082.8, 0.00314129/step Wall: 15082.8, 0.00314129/step, 0.283938 hours remaining, 235.792969 MB of memory in use. ENERGY: 4674600 4030.3940 20341.9955 14522.4152 270.7824 -203608.7027 2799.6949 0.0000 0.0000 51950.3167 -109693.1040 298.5592 -161643.4207 -109329.7375 299.4641 327.1278 351.5036 759476.5366 14.8743 14.8833 PRESSURE: 4674800 -181.498 -119.323 9.43232 -119.323 -41.2753 36.7062 9.43279 36.7047 -139.271 GPRESSURE: 4674800 -81.4155 -136.028 34.9532 -4.97721 30.5164 96.1273 5.58786 58.9222 -217.661 PRESSAVG: 4674800 21.9462 -2.43858 35.8066 -2.43853 -37.2437 17.1806 35.8066 17.1806 -11.2583 GPRESSAVG: 4674800 21.7785 -3.59835 36.9741 -0.378079 -36.3421 17.1679 35.0518 17.6485 -11.652 TIMING: 4674800 CPU: 15083.4, 0.0031473/step Wall: 15083.4, 0.0031473/step, 0.284306 hours remaining, 235.792969 MB of memory in use. ENERGY: 4674800 3960.0961 20650.3499 14456.4059 247.3489 -203169.7763 2358.8036 0.0000 0.0000 52074.2229 -109422.5490 299.2713 -161496.7719 -109071.7894 299.1901 -120.6814 -89.5201 761766.3518 -8.8519 -8.7385 PRESSURE: 4675000 86.0439 8.79886 -48.7097 8.79962 193.221 -8.68711 -48.7101 -8.68595 157.818 GPRESSURE: 4675000 162.019 -52.6843 -42.5261 -117.805 162.915 -86.005 119.258 -97.6422 204.488 PRESSAVG: 4675000 36.5951 -0.938238 -3.97432 -0.938302 -30.7986 -45.3571 -3.9743 -45.357 -18.027 GPRESSAVG: 4675000 36.5649 -0.715046 -4.27356 -2.23093 -30.8908 -45.6021 -3.98556 -43.5423 -17.8083 TIMING: 4675000 CPU: 15084, 0.00313544/step Wall: 15084, 0.00313544/step, 0.28306 hours remaining, 235.792969 MB of memory in use. ENERGY: 4675000 3969.1849 20387.1606 14455.1824 238.8166 -203124.0743 2410.5495 0.0000 0.0000 52270.8119 -109392.3683 300.4011 -161663.1802 -109029.8552 299.2051 145.6941 176.4740 759757.2960 -4.0768 -4.0447 PRESSURE: 4675200 -144.971 25.1826 -27.5416 25.1825 -237.671 265.667 -27.5418 265.668 236.867 GPRESSURE: 4675200 -162.032 -8.43196 -0.724142 20.8082 -135.447 219.835 -113.565 320.353 250.353 PRESSAVG: 4675200 57.684 -30.7027 13.5903 -30.7027 -39.8326 -30.7547 13.5903 -30.7547 20.8075 GPRESSAVG: 4675200 59.2584 -30.0952 12.4477 -29.7765 -40.8672 -30.8718 15.4744 -33.3434 20.4849 TIMING: 4675200 CPU: 15084.7, 0.00314647/step Wall: 15084.7, 0.00314647/step, 0.283882 hours remaining, 235.792969 MB of memory in use. ENERGY: 4675200 4051.0318 20325.7331 14480.3422 237.7019 -203056.1927 2245.8345 0.0000 0.0000 52228.0124 -109487.5368 300.1551 -161715.5492 -109116.6257 299.9569 -48.5919 -15.7088 758760.4842 12.8863 12.9587 PRESSURE: 4675400 -93.792 -204.802 48.0337 -204.802 -100.513 74.0308 48.034 74.0306 -199.97 GPRESSURE: 4675400 -104.113 -246.652 -8.34512 -218.272 -128.122 74.6994 7.1202 47.7704 -56.7746 PRESSAVG: 4675400 -15.6354 -16.7911 11.6948 -16.7911 -20.3454 54.7755 11.6948 54.7754 18.2472 GPRESSAVG: 4675400 -15.4645 -15.5611 14.8218 -18.4046 -20.3674 53.9242 8.7472 56.6765 18.2912 TIMING: 4675400 CPU: 15085.3, 0.00314828/step Wall: 15085.3, 0.00314828/step, 0.28387 hours remaining, 235.792969 MB of memory in use. ENERGY: 4675400 3986.7654 20494.5573 14516.7366 249.7864 -202744.6333 2223.6132 0.0000 0.0000 52239.2612 -109033.9132 300.2198 -161273.1744 -108679.6019 299.9113 -131.4250 -96.3365 761223.1479 -5.9112 -5.8469 PRESSURE: 4675600 43.2813 -50.194 -7.10151 -50.1942 -470.134 -2.92566 -7.0997 -2.92557 -258.698 GPRESSURE: 4675600 14.9935 -119.698 -34.3977 32.48 -399.535 -4.6002 -19.0077 -41.2895 -232.814 PRESSAVG: 4675600 20.8347 0.000747002 -19.1278 0.000771215 0.96863 -5.68915 -19.1278 -5.68906 -4.42269 GPRESSAVG: 4675600 19.6372 -2.1518 -21.8634 1.4145 1.82797 -4.95263 -17.5581 -4.56234 -3.92105 TIMING: 4675600 CPU: 15085.9, 0.00312756/step Wall: 15085.9, 0.00312756/step, 0.281828 hours remaining, 235.792969 MB of memory in use. ENERGY: 4675600 4097.5340 20528.9786 14532.3004 259.4679 -203163.9870 2548.0096 0.0000 0.0000 52268.3606 -108929.3359 300.3870 -161197.6965 -108557.8880 300.2323 -228.5169 -205.7854 760859.3258 5.7936 5.8480 PRESSURE: 4675800 -156.671 12.4456 -176.02 12.446 215.844 -95.7945 -176.019 -95.7935 -181.212 GPRESSURE: 4675800 -101.015 -41.4664 -131.358 -8.08291 252.111 -76.801 -129.851 -156.867 -184.911 PRESSAVG: 4675800 26.0784 -51.9962 -3.53048 -51.9962 -52.1455 -46.3306 -3.53043 -46.3305 -2.78574 GPRESSAVG: 4675800 26.1575 -50.7157 -1.13946 -53.57 -51.6839 -46.2285 -2.76309 -46.0992 -2.97876 TIMING: 4675800 CPU: 15086.6, 0.00312277/step Wall: 15086.6, 0.00312277/step, 0.281223 hours remaining, 235.792969 MB of memory in use. ENERGY: 4675800 4016.8430 20548.8068 14564.8511 249.5741 -203535.8920 2779.0246 0.0000 0.0000 52224.2565 -109152.5358 300.1335 -161376.7924 -108794.3082 300.1403 -40.6797 -11.2717 759974.3768 -9.6176 -9.5017 PRESSURE: 4676000 34.6756 -160.203 16.8344 -160.204 -100.616 -1.05071 16.8347 -1.04983 -17.2972 GPRESSURE: 4676000 5.96855 -44.4622 82.437 -92.7277 -22.479 -43.9994 -55.114 58.9263 1.516 PRESSAVG: 4676000 -46.1395 -31.8246 12.9623 -31.8246 48.0946 -35.3039 12.9623 -35.3039 7.52521 GPRESSAVG: 4676000 -45.4122 -30.4952 10.6988 -32.982 48.4256 -34.9798 13.2794 -37.3979 7.37418 TIMING: 4676000 CPU: 15087.2, 0.00311532/step Wall: 15087.2, 0.00311532/step, 0.280379 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 3983.8642 20613.1119 14512.6133 259.7655 -203108.6033 2354.6814 0.0000 0.0000 52231.5919 -109152.9751 300.1757 -161384.5670 -108797.0011 300.0801 -27.7460 -4.9981 761269.1853 3.1601 3.4625 PRESSURE: 4676200 -132.411 240.26 113.766 240.26 -425.498 70.3816 113.766 70.3819 -426.708 GPRESSURE: 4676200 -159.818 182.393 107.445 237.167 -332.715 126.82 -2.57791 202.501 -401.952 PRESSAVG: 4676200 12.5744 -16.0511 -25.9804 -16.0511 -33.5842 45.0947 -25.9804 45.0946 5.88966 GPRESSAVG: 4676200 11.8515 -19.2407 -24.6495 -12.5563 -33.3641 45.3017 -29.0448 45.3926 6.57482 TIMING: 4676200 CPU: 15087.8, 0.0031223/step Wall: 15087.8, 0.0031223/step, 0.280833 hours remaining, 235.792969 MB of memory in use. ENERGY: 4676200 4085.5039 20532.0167 14462.2638 248.4918 -203043.3580 2531.5998 0.0000 0.0000 52025.3465 -109158.1355 298.9904 -161183.4820 -108793.8631 299.8325 -328.2059 -298.1617 762544.4323 -5.0400 -4.9793 LDB: ============= START OF LOAD BALANCING ============== 15100.2 LDB: ============== END OF LOAD BALANCING =============== 15100.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15100.2 LDB: ============= START OF LOAD BALANCING ============== 15100.5 LDB: Largest compute 7075 load 0.031691 is 16.2% of average load 0.195547 LDB: Average compute 0.004372 is 2.2% of average load 0.195547 LDB: TIME 15100.5 LOAD: AVG 0.195547 MAX 0.215433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.102 MB LDB: TIME 15100.5 LOAD: AVG 0.195547 MAX 0.215433 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.102 MB LDB: TIME 15100.5 LOAD: AVG 0.195547 MAX 0.215433 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.102 MB LDB: ============== END OF LOAD BALANCING =============== 15100.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15100.5 PRESSURE: 4676400 101.377 -212.195 108.563 -212.196 370.481 167.103 108.563 167.103 42.5736 GPRESSURE: 4676400 183.907 -268.295 22.6701 -219.092 357.281 159.604 151.147 248.706 65.9398 PRESSAVG: 4676400 23.682 -66.4878 13.0528 -66.4878 -10.4194 0.095011 13.0528 0.0950179 6.23711 GPRESSAVG: 4676400 23.554 -65.3693 11.1646 -68.2207 -10.7018 -1.14219 14.3064 -0.26872 6.33778 TIMING: 4676400 CPU: 15088.4, 0.00321357/step Wall: 15088.4, 0.00321357/step, 0.288865 hours remaining, 234.171875 MB of memory in use. ENERGY: 4676400 4054.8709 20432.5283 14508.6811 244.0876 -203505.1479 2724.8127 0.0000 0.0000 52171.2459 -109368.9214 299.8289 -161540.1673 -109019.3915 299.7844 171.4770 202.3759 759822.2664 6.4999 6.3967 PRESSURE: 4676600 -406.272 -97.1101 150.221 -97.1102 -140.199 -47.5905 150.222 -47.5904 368.95 GPRESSURE: 4676600 -366.822 -114.412 197.14 -33.0829 -48.0381 -52.8229 181.48 36.275 325.002 PRESSAVG: 4676600 8.94235 -67.7757 -21.0926 -67.7756 -20.8592 10.7744 -21.0926 10.7745 19.0829 GPRESSAVG: 4676600 8.53864 -66.9953 -17.9684 -67.5171 -20.312 11.4953 -20.947 10.0018 18.7004 TIMING: 4676600 CPU: 15089.1, 0.00311025/step Wall: 15089.1, 0.00311025/step, 0.279404 hours remaining, 234.171875 MB of memory in use. ENERGY: 4676600 3981.7062 20547.7589 14543.7145 242.3648 -203736.8658 2774.9703 0.0000 0.0000 52032.6132 -109613.7379 299.0321 -161646.3511 -109249.6036 299.5330 -59.1734 -29.9528 759827.9009 2.3887 2.3090 PRESSURE: 4676800 -0.495156 -208.239 -126.444 -208.239 -17.8706 -182.337 -126.444 -182.337 56.5232 GPRESSURE: 4676800 57.6234 -165.089 -181.165 -181.317 -34.7003 -210.012 -121.364 -46.924 111.459 PRESSAVG: 4676800 -11.2716 -65.1398 22.3305 -65.1399 -1.22388 37.4471 22.3306 37.447 19.2366 GPRESSAVG: 4676800 -11.2154 -65.5638 20.0532 -66.6981 -1.97695 36.0358 22.6311 40.0009 19.9182 TIMING: 4676800 CPU: 15089.7, 0.00311957/step Wall: 15089.7, 0.00311957/step, 0.280068 hours remaining, 234.171875 MB of memory in use. ENERGY: 4676800 3930.8020 20559.3069 14467.7503 255.8205 -203410.1118 2544.9380 0.0000 0.0000 52078.6289 -109572.8652 299.2966 -161651.4941 -109212.1044 299.1660 12.7191 44.7941 760799.6982 2.2470 2.2420 PRESSURE: 4677000 -47.493 -80.4137 -142.075 -80.4124 130.306 -69.3881 -142.075 -69.3882 98.3721 GPRESSURE: 4677000 -14.9585 -120.217 -137.88 -56.8116 240.785 -79.2117 -99.6752 -128.975 36.8322 PRESSAVG: 4677000 21.3148 -29.419 8.08921 -29.419 -40.6552 -13.1513 8.08925 -13.1514 18.1513 GPRESSAVG: 4677000 21.6718 -28.2759 9.26292 -28.452 -40.458 -13.0909 6.28212 -13.7045 17.6659 TIMING: 4677000 CPU: 15090.3, 0.00311701/step Wall: 15090.3, 0.00311702/step, 0.279666 hours remaining, 234.171875 MB of memory in use. ENERGY: 4677000 4008.2363 20654.6605 14524.3554 233.0950 -203502.3831 2680.9187 0.0000 0.0000 51999.1018 -109402.0154 298.8396 -161401.1172 -109045.4883 299.2528 60.3952 87.5529 760751.9031 -0.3963 -0.3734 PRESSURE: 4677200 -84.7897 -226.62 172.014 -226.619 -95.8144 -106.431 172.013 -106.431 98.1622 GPRESSURE: 4677200 -79.0615 -187.833 162.64 -105.114 5.23936 -54.6915 52.9846 28.2063 81.842 PRESSAVG: 4677200 -33.4592 -75.7477 32.2358 -75.7477 32.8825 9.48772 32.2358 9.48781 -17.0216 GPRESSAVG: 4677200 -33.7039 -75.1063 32.3087 -77.3016 32.4253 11.2905 34.2277 10.312 -16.2876 TIMING: 4677200 CPU: 15090.9, 0.00312584/step Wall: 15090.9, 0.00312584/step, 0.280284 hours remaining, 234.171875 MB of memory in use. ENERGY: 4677200 4022.0388 20471.2053 14529.3671 243.0597 -203547.0152 2417.1140 0.0000 0.0000 52090.6314 -109773.5989 299.3656 -161864.2303 -109404.3301 298.7098 -27.4806 2.6733 760088.6457 -5.8661 -5.8554 PRESSURE: 4677400 -111.721 87.9741 22.4629 87.9738 21.904 244.439 22.4623 244.439 -174.151 GPRESSURE: 4677400 -104.836 188.404 2.2674 55.7619 88.2021 210.302 -16.8489 206.867 -160.313 PRESSAVG: 4677400 -16.3128 -22.3064 24.257 -22.3064 11.49 16.7603 24.257 16.7604 30.5212 GPRESSAVG: 4677400 -16.6148 -23.9636 23.3558 -21.7227 11.4058 14.9839 24.8304 15.8051 31.1642 TIMING: 4677400 CPU: 15091.6, 0.00311073/step Wall: 15091.6, 0.00311074/step, 0.278756 hours remaining, 234.371094 MB of memory in use. ENERGY: 4677400 3980.2877 20520.9639 14475.5819 266.5470 -203236.3785 2338.0612 0.0000 0.0000 51951.9478 -109702.9889 298.5686 -161654.9368 -109338.3257 299.2019 -87.9894 -58.9822 758456.6492 8.5661 8.6517 PRESSURE: 4677600 -97.4635 1.64792 -187.749 1.64814 -100.132 182.373 -187.749 182.373 120.758 GPRESSURE: 4677600 -58.7969 -3.79738 -209.051 -15.9203 -120.681 295.342 -209.405 62.7737 189.351 PRESSAVG: 4677600 15.2023 -55.2111 -32.6551 -55.2111 -12.5718 26.1461 -32.6551 26.1461 0.458253 GPRESSAVG: 4677600 16.3239 -54.9792 -31.8238 -52.68 -13.0318 27.6568 -33.3026 23.6647 -0.628623 TIMING: 4677600 CPU: 15092.2, 0.00311034/step Wall: 15092.2, 0.00311034/step, 0.278548 hours remaining, 234.371094 MB of memory in use. ENERGY: 4677600 3959.0928 20454.0145 14467.2560 244.1781 -203425.5943 2654.1782 0.0000 0.0000 51989.2916 -109657.5831 298.7832 -161646.8747 -109300.0764 298.8712 -25.6123 3.2910 760185.9604 1.0296 0.8878 PRESSURE: 4677800 -324.05 80.0558 -220.286 80.0577 -156.242 51.4812 -220.287 51.4801 -109.213 GPRESSURE: 4677800 -231.595 -27.4358 -229.491 30.5512 -72.2425 79.5588 -205.023 67.6835 -208.263 PRESSAVG: 4677800 22.4106 -12.8263 50.1239 -12.8262 -37.4869 20.4529 50.1238 20.4529 -12.3178 GPRESSAVG: 4677800 22.0066 -12.5723 48.2826 -15.0247 -36.4215 19.1161 53.3748 23.8039 -12.5493 TIMING: 4677800 CPU: 15092.8, 0.0031223/step Wall: 15092.8, 0.0031223/step, 0.279446 hours remaining, 234.371094 MB of memory in use. ENERGY: 4677800 3913.9234 20572.2278 14478.9024 267.7886 -203112.2978 2062.1594 0.0000 0.0000 51837.5255 -109979.7706 297.9110 -161817.2961 -109615.1828 298.3469 -196.5018 -170.7003 760138.0774 -9.1314 -8.9881 PRESSURE: 4678000 369.656 46.6438 -92.4668 46.6432 314.987 363.298 -92.4677 363.298 28.1357 GPRESSURE: 4678000 319.588 76.5127 -97.8702 32.055 374.545 279.22 -84.4299 317.677 93.4222 PRESSAVG: 4678000 -12.6315 -17.1124 20.688 -17.1124 12.3808 -31.985 20.6881 -31.9849 11.6527 GPRESSAVG: 4678000 -12.3594 -17.288 22.1695 -17.2511 10.895 -32.2996 18.086 -33.2455 12.8594 TIMING: 4678000 CPU: 15093.4, 0.00311203/step Wall: 15093.4, 0.00311203/step, 0.278354 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4678000 3923.5784 20440.9310 14416.8414 246.0904 -203802.9748 2891.7043 0.0000 0.0000 52085.2647 -109798.5647 299.3347 -161883.8294 -109437.4871 298.4803 237.5930 262.5185 757939.8345 3.8007 3.7983 PRESSURE: 4678200 -184.824 -87.6809 128.771 -87.6805 86.7995 95.6297 128.771 95.6303 -222.283 GPRESSURE: 4678200 -177.273 -96.7246 220.293 -28.2575 246.844 89.0692 67.2628 108.443 -328.775 PRESSAVG: 4678200 -5.84913 -25.5418 11.6246 -25.5418 3.24573 22.9053 11.6246 22.9052 16.455 GPRESSAVG: 4678200 -5.25402 -24.5818 12.0224 -26.5016 3.64236 23.851 9.3347 23.1765 15.6906 TIMING: 4678200 CPU: 15094.1, 0.00312714/step Wall: 15094.1, 0.00312714/step, 0.279531 hours remaining, 234.371094 MB of memory in use. ENERGY: 4678200 4076.2320 20467.0558 14439.3018 246.9155 -203678.4377 2718.4561 0.0000 0.0000 52023.9146 -109706.5618 298.9822 -161730.4765 -109346.0873 298.9346 -106.7689 -86.4011 761102.0612 4.6172 4.6930 PRESSURE: 4678400 164.08 -156.127 150.817 -156.127 22.7699 119.236 150.817 119.237 127.444 GPRESSURE: 4678400 135.199 -169.349 57.8464 -205.406 112.389 102.223 118.09 128.424 177.703 PRESSAVG: 4678400 17.3621 -23.7328 47.8114 -23.7328 17.0271 57.3936 47.8115 57.3936 -21.7814 GPRESSAVG: 4678400 17.2126 -24.6681 47.1607 -22.1339 17.3981 57.3188 51.8791 56.9531 -21.6855 TIMING: 4678400 CPU: 15094.7, 0.00312775/step Wall: 15094.7, 0.00312775/step, 0.279412 hours remaining, 234.371094 MB of memory in use. ENERGY: 4678400 3920.6579 20518.4986 14449.3073 251.3476 -203744.8393 2757.2316 0.0000 0.0000 51820.7308 -110027.0656 297.8145 -161847.7964 -109662.8486 298.7786 104.7646 141.7635 761329.7538 4.2026 4.3084 PRESSURE: 4678600 -190.56 -42.2326 62.6187 -42.2334 125.805 -152.272 62.6184 -152.271 275.294 GPRESSURE: 4678600 -82.1233 -135.768 75.1567 24.8329 137.79 -114.199 35.7723 -116.462 235.918 PRESSAVG: 4678600 -9.39999 -8.18 26.2533 -8.17994 13.095 55.1925 26.2533 55.1926 -5.87004 GPRESSAVG: 4678600 -8.53862 -9.63098 25.6227 -6.42641 11.5026 56.7498 25.0624 54.9212 -5.35535 TIMING: 4678600 CPU: 15095.3, 0.00311409/step Wall: 15095.3, 0.00311409/step, 0.278019 hours remaining, 234.371094 MB of memory in use. ENERGY: 4678600 3965.3493 20527.1693 14426.4115 225.8835 -203604.4487 2573.1453 0.0000 0.0000 52068.2060 -109818.2837 299.2367 -161886.4897 -109458.4145 298.4445 70.1798 97.1949 760927.3568 -0.7250 -0.7971 PRESSURE: 4678800 -192.468 -1.41568 6.46323 -1.41591 -25.7379 -154.055 6.4634 -154.056 -249.323 GPRESSURE: 4678800 -179.974 87.8435 73.6383 -128.792 6.64161 -191.876 -55.2707 -141.51 -221.157 PRESSAVG: 4678800 64.3686 -63.2815 17.2583 -63.2816 -77.4781 -10.9829 17.2583 -10.983 30.3101 GPRESSAVG: 4678800 63.2417 -61.7608 19.2306 -66.9388 -76.6505 -11.8891 17.3262 -10.767 29.7454 TIMING: 4678800 CPU: 15095.9, 0.00312764/step Wall: 15095.9, 0.00312764/step, 0.279055 hours remaining, 234.371094 MB of memory in use. ENERGY: 4678800 3969.1206 20508.9219 14483.2854 261.2951 -203152.3776 2227.7410 0.0000 0.0000 51985.5155 -109716.4981 298.7615 -161702.0136 -109341.4976 298.4081 -155.8430 -131.4967 760044.9523 5.7335 5.4455 PRESSURE: 4679000 34.8756 -262.142 4.03985 -262.142 -160.802 -40.4169 4.03911 -40.4172 -194.562 GPRESSURE: 4679000 18.8854 -101.684 34.2691 -308.373 -128.653 -49.7744 70.4752 -95.2964 -126.596 PRESSAVG: 4679000 16.4113 -67.5568 -46.2713 -67.5568 -38.8943 -32.8695 -46.2713 -32.8695 -18.3031 GPRESSAVG: 4679000 15.513 -65.556 -47.6669 -67.7032 -37.6549 -32.4099 -47.9945 -34.8384 -18.577 TIMING: 4679000 CPU: 15096.6, 0.00312321/step Wall: 15096.6, 0.00312321/step, 0.278487 hours remaining, 234.371094 MB of memory in use. ENERGY: 4679000 3971.6602 20463.1610 14466.6001 248.5271 -203407.8245 2485.6872 0.0000 0.0000 52190.9747 -109581.2141 299.9422 -161772.1888 -109219.4839 299.6160 -106.8295 -78.7879 760209.4997 -13.5954 -13.5729 PRESSURE: 4679200 81.9752 121.204 207.97 121.203 16.0782 81.2542 207.97 81.2541 -60.2513 GPRESSURE: 4679200 136.47 2.97298 132.451 -27.2457 67.106 -19.2827 128.092 60.2245 -79.1038 PRESSAVG: 4679200 -25.9179 -75.8907 45.5478 -75.8907 -34.1502 11.632 45.5479 11.6319 26.5829 GPRESSAVG: 4679200 -26.1122 -79.428 45.991 -74.4738 -34.9047 9.55628 47.1182 13.8376 27.4723 TIMING: 4679200 CPU: 15097.2, 0.00313819/step Wall: 15097.2, 0.00313819/step, 0.279648 hours remaining, 234.371094 MB of memory in use. ENERGY: 4679200 3915.2407 20410.6933 14430.3535 253.0419 -203129.8315 2431.2541 0.0000 0.0000 51931.4404 -109757.8077 298.4507 -161689.2481 -109391.4286 298.9638 12.6007 41.4906 759332.6283 -11.1617 -11.1815 PRESSURE: 4679400 380.406 -192.094 2.01816 -192.093 -360.779 68.6347 2.01751 68.6342 -30.8313 GPRESSURE: 4679400 344.977 -106.496 14.6086 -116.449 -232.62 82.3388 -63.0835 145.687 -58.9644 PRESSAVG: 4679400 33.6644 -71.3815 47.3004 -71.3815 -32.7491 31.3572 47.3004 31.3572 23.7565 GPRESSAVG: 4679400 32.9767 -68.8155 46.9444 -70.4473 -31.3501 33.0797 47.4515 28.0976 23.51 TIMING: 4679400 CPU: 15097.8, 0.00314149/step Wall: 15097.8, 0.00314149/step, 0.279767 hours remaining, 234.371094 MB of memory in use. ENERGY: 4679400 4010.1840 20333.9253 14495.3738 235.4836 -203383.8000 2525.6773 0.0000 0.0000 52020.2728 -109762.8832 298.9612 -161783.1560 -109400.8496 298.8348 -3.7347 17.7974 758940.2752 8.2239 8.3789 PRESSURE: 4679600 -53.0452 -11.0513 157.601 -11.0526 214.144 -417.031 157.601 -417.031 694.722 GPRESSURE: 4679600 55.9601 -80.5474 111.394 26.52 159.75 -376.685 162.609 -400.027 719.497 PRESSAVG: 4679600 4.28288 -72.948 35.1453 -72.948 23.8921 -18.5211 35.1454 -18.5211 22.3589 GPRESSAVG: 4679600 7.28831 -71.8946 35.3563 -73.6901 21.2993 -19.7378 35.4105 -15.3745 21.7834 TIMING: 4679600 CPU: 15098.4, 0.003119/step Wall: 15098.4, 0.003119/step, 0.277591 hours remaining, 234.371094 MB of memory in use. ENERGY: 4679600 3960.6288 20574.1127 14415.1946 250.1744 -203478.7210 2587.0419 0.0000 0.0000 52046.7253 -109644.8433 299.1132 -161691.5686 -109288.1750 299.1579 285.2738 311.7358 760379.0789 16.8446 16.7904 PRESSURE: 4679800 -78.3569 90.7658 54.0345 90.7652 -20.9585 -292.359 54.0343 -292.361 -361.628 GPRESSURE: 4679800 -138.257 81.2482 15.3147 -95.9055 63.1748 -213.512 -16.9772 -425.547 -307.092 PRESSAVG: 4679800 36.9366 -43.5723 40.1064 -43.5723 -55.484 15.9326 40.1064 15.9326 -14.3394 GPRESSAVG: 4679800 35.7304 -44.3437 39.3909 -42.5743 -55.2135 17.5924 39.2728 13.1679 -13.297 TIMING: 4679800 CPU: 15099.1, 0.00313114/step Wall: 15099.1, 0.00313114/step, 0.278497 hours remaining, 234.371094 MB of memory in use. ENERGY: 4679800 3984.9339 20391.9956 14541.6036 237.0751 -203184.6101 2147.1689 0.0000 0.0000 52214.2103 -109667.6228 300.0758 -161881.8331 -109299.0128 299.2184 -153.6477 -127.3915 759876.7223 -10.9623 -10.9267 PRESSURE: 4680000 264.008 141.09 28.0252 141.091 -186.54 -94.6444 28.0257 -94.644 -207.048 GPRESSURE: 4680000 218.342 185.578 131.288 62.8852 -96.0219 -73.1027 88.8836 -29.8221 -189.471 PRESSAVG: 4680000 22.8043 -19.3725 -11.1268 -19.3725 -24.4407 8.72899 -11.1269 8.72903 12.7187 GPRESSAVG: 4680000 22.1354 -18.7052 -9.69215 -20.5074 -22.3885 8.34057 -10.8826 8.87244 11.7797 TIMING: 4680000 CPU: 15099.7, 0.00312275/step Wall: 15099.7, 0.00312275/step, 0.277578 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4680000 4025.8349 20510.9723 14446.7277 249.5719 -203210.2758 2457.6041 0.0000 0.0000 51801.1949 -109718.3701 297.7022 -161519.5649 -109356.0758 299.3012 -43.1935 -22.3837 758203.0434 3.6941 3.8422 PRESSURE: 4680200 -351.369 81.8354 -20.8956 81.8363 -308.769 136.016 -20.896 136.017 -322.054 GPRESSURE: 4680200 -263.404 79.7486 -13.0063 79.9346 -334.534 87.2929 36.8247 -28.3236 -296.384 PRESSAVG: 4680200 5.54728 33.8028 61.8574 33.8028 24.6929 35.1825 61.8574 35.1825 13.1749 GPRESSAVG: 4680200 5.93677 34.3994 60.3991 33.4897 23.5271 35.0417 60.3706 36.6591 13.8276 TIMING: 4680200 CPU: 15100.3, 0.00313168/step Wall: 15100.3, 0.00313168/step, 0.278198 hours remaining, 234.371094 MB of memory in use. ENERGY: 4680200 3985.2215 20612.7694 14511.3554 257.1006 -203302.8859 2221.7244 0.0000 0.0000 52293.6406 -109421.0739 300.5323 -161714.7145 -109060.6289 300.0245 -327.3974 -298.1072 759924.6923 14.4717 14.4305 LDB: ============= START OF LOAD BALANCING ============== 15112.7 LDB: ============== END OF LOAD BALANCING =============== 15112.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15112.7 LDB: ============= START OF LOAD BALANCING ============== 15113 LDB: Largest compute 7024 load 0.032255 is 16.5% of average load 0.195553 LDB: Average compute 0.004397 is 2.2% of average load 0.195553 LDB: TIME 15113 LOAD: AVG 0.195553 MAX 0.211001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 15113 LOAD: AVG 0.195553 MAX 0.211001 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 15113 LOAD: AVG 0.195553 MAX 0.211001 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 15113.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15113.1 PRESSURE: 4680400 183.303 -80.9807 133.664 -80.9804 138.325 -19.4934 133.664 -19.4939 258.232 GPRESSURE: 4680400 168.364 -77.1917 139.286 -47.8799 175.31 -18.7271 271.139 11.6204 331.412 PRESSAVG: 4680400 -9.4326 0.600097 46.3295 0.60002 12.0756 63.764 46.3296 63.7639 -3.44491 GPRESSAVG: 4680400 -9.09392 -1.09943 47.9715 1.50716 11.1468 62.3304 46.6291 65.0231 -2.6708 TIMING: 4680400 CPU: 15101, 0.0032107/step Wall: 15101, 0.0032107/step, 0.285039 hours remaining, 235.652344 MB of memory in use. ENERGY: 4680400 3968.9821 20534.7353 14468.4820 240.9903 -203340.6387 2492.7680 0.0000 0.0000 52270.5741 -109364.1069 300.3997 -161634.6809 -109001.1483 299.7627 193.2867 225.0289 759202.6577 -0.2673 -0.2060 PRESSURE: 4680600 31.377 42.8225 0.433837 42.8231 -298.579 16.4176 0.433432 16.4182 74.4483 GPRESSURE: 4680600 7.9032 -43.3643 -22.6166 -61.2933 -197.103 -17.6246 -58.4216 -26.735 91.095 PRESSAVG: 4680600 33.3668 33.9564 6.45906 33.9564 -4.36093 9.52806 6.45902 9.52804 -1.99402 GPRESSAVG: 4680600 32.7788 33.1141 6.1493 34.7858 -3.34909 10.7823 5.35665 7.30936 -2.46599 TIMING: 4680600 CPU: 15101.6, 0.00313469/step Wall: 15101.6, 0.0031347/step, 0.278117 hours remaining, 236.113281 MB of memory in use. ENERGY: 4680600 3971.4383 20504.0849 14494.9193 252.6203 -202964.2206 2205.5357 0.0000 0.0000 52165.8318 -109369.7903 299.7978 -161535.6221 -109003.0385 299.9311 -64.2511 -32.7016 758922.1426 9.0039 8.9879 PRESSURE: 4680800 16.8609 -278.185 41.9837 -278.185 -70.0048 -49.4422 41.984 -49.4424 -38.57 GPRESSURE: 4680800 -51.8653 -274.451 81.9655 -155.663 28.1705 -85.1139 148.589 -26.7269 9.10681 PRESSAVG: 4680800 5.92765 -24.5052 34.5564 -24.5052 -22.9756 -38.8128 34.5564 -38.8128 25.4431 GPRESSAVG: 4680800 6.3829 -23.6106 34.5485 -27.561 -23.2663 -40.3312 37.5807 -36.4241 25.5111 TIMING: 4680800 CPU: 15102.2, 0.00311367/step Wall: 15102.2, 0.00311367/step, 0.276079 hours remaining, 236.113281 MB of memory in use. ENERGY: 4680800 4010.6999 20642.1269 14523.4410 257.3003 -203556.1655 2480.4956 0.0000 0.0000 52125.5321 -109516.5699 299.5661 -161642.1019 -109155.5975 300.1763 -30.5713 -4.8626 759994.9034 2.7984 2.8759 PRESSURE: 4681000 -101.781 -42.4815 35.8819 -42.482 -571.761 -125.693 35.8824 -125.693 -14.3595 GPRESSURE: 4681000 -153.597 -56.5188 36.4852 -3.7308 -449.668 -109.537 8.27922 -175.353 3.98175 PRESSAVG: 4681000 73.4489 -53.9171 -9.34177 -53.917 -83.0152 53.7642 -9.34178 53.7643 -1.80161 GPRESSAVG: 4681000 73.1306 -54.2123 -10.6316 -51.3613 -82.3742 54.1613 -11.4747 50.7856 -2.26976 TIMING: 4681000 CPU: 15102.8, 0.00313098/step Wall: 15102.8, 0.00313098/step, 0.27744 hours remaining, 236.113281 MB of memory in use. ENERGY: 4681000 4012.7987 20683.2410 14477.1009 233.6383 -203316.0327 2504.0459 0.0000 0.0000 51851.2396 -109553.9684 297.9898 -161405.2079 -109197.2045 299.6108 -229.3006 -199.7609 761082.3000 -3.7893 -3.8378 PRESSURE: 4681200 211.554 -71.134 216.055 -71.1352 423.757 64.3126 216.055 64.3123 149.26 GPRESSURE: 4681200 332.703 -20.867 208.866 -31.9642 383.924 -33.0073 187.007 73.91 148.352 PRESSAVG: 4681200 54.115 -32.3511 7.93897 -32.3511 -28.4645 8.55867 7.93898 8.55867 43.4312 GPRESSAVG: 4681200 55.2685 -30.7953 9.29531 -34.4344 -29.2732 8.76318 6.38245 10.9069 43.0788 TIMING: 4681200 CPU: 15103.5, 0.00313885/step Wall: 15103.5, 0.00313885/step, 0.277962 hours remaining, 236.113281 MB of memory in use. ENERGY: 4681200 3889.8027 20568.5515 14503.7259 251.5799 -203738.2938 2904.7463 0.0000 0.0000 52002.0696 -109617.8180 298.8566 -161619.8875 -109257.4497 299.3041 261.5237 288.3264 759689.5536 23.0273 23.0247 PRESSURE: 4681400 -103.527 -271.441 -14.5917 -271.442 -107.76 -140.208 -14.5925 -140.208 -572.801 GPRESSURE: 4681400 -163.24 -239.807 13.0018 -174.737 -40.5367 -120.215 3.12652 -168.389 -499.543 PRESSAVG: 4681400 51.9368 -43.5062 1.23374 -43.5062 -22.6985 -1.46379 1.23382 -1.46372 -8.28013 GPRESSAVG: 4681400 52.0668 -45.0772 2.40204 -41.8508 -22.9433 -2.30371 0.876286 -0.717719 -7.64723 TIMING: 4681400 CPU: 15104.1, 0.00311953/step Wall: 15104.1, 0.00311953/step, 0.276078 hours remaining, 236.113281 MB of memory in use. ENERGY: 4681400 3963.9317 20677.4951 14499.5389 225.5713 -203809.9606 2740.8101 0.0000 0.0000 52048.5939 -109654.0196 299.1240 -161702.6135 -109285.1062 299.2157 -261.3627 -234.4398 760263.7138 6.9861 7.1588 PRESSURE: 4681600 27.1954 -148.863 326.039 -148.863 192.124 86.6018 326.038 86.6016 -380.459 GPRESSURE: 4681600 110.754 -62.4244 379.131 -151.987 124.388 94.1147 307.487 83.4339 -305.872 PRESSAVG: 4681600 20.2408 -88.0886 -14.2698 -88.0887 -16.4367 31.2547 -14.2699 31.2547 -5.57423 GPRESSAVG: 4681600 20.4908 -87.6062 -16.2932 -88.7296 -16.5662 31.5614 -13.3709 30.0778 -6.00274 TIMING: 4681600 CPU: 15104.7, 0.00312113/step Wall: 15104.7, 0.00312113/step, 0.276046 hours remaining, 236.113281 MB of memory in use. ENERGY: 4681600 3995.6945 20536.6084 14521.6725 256.8549 -203730.0566 2608.1035 0.0000 0.0000 51959.6630 -109851.4599 298.6129 -161811.1229 -109502.5515 298.8621 -53.7132 -23.5769 759524.3862 -0.5900 -0.6927 PRESSURE: 4681800 -133.176 218.355 130.15 218.356 125.095 191.745 130.149 191.746 29.5246 GPRESSURE: 4681800 -39.9621 133.738 97.8366 204.063 151.132 146.906 178.42 109.04 -0.405038 PRESSAVG: 4681800 87.9942 -56.935 -27.4817 -56.9349 -68.597 -10.8154 -27.4817 -10.8153 -26.373 GPRESSAVG: 4681800 87.063 -58.8638 -26.7709 -55.7115 -67.9161 -9.4477 -26.0503 -11.5302 -25.7446 TIMING: 4681800 CPU: 15105.3, 0.00314155/step Wall: 15105.3, 0.00314155/step, 0.277678 hours remaining, 236.113281 MB of memory in use. ENERGY: 4681800 4066.1157 20412.1752 14415.5567 264.3734 -203773.2236 2479.1758 0.0000 0.0000 52115.8445 -110019.9823 299.5105 -162135.8267 -109656.5731 298.9293 7.1479 36.9217 758809.4966 -2.3253 -2.1992 PRESSURE: 4682000 210.805 -22.8968 -1.1315 -22.8965 146.089 -19.4642 -1.13123 -19.4648 273.486 GPRESSURE: 4682000 258.683 -0.392227 -97.137 58.1496 181.161 23.2363 -37.2243 -34.8104 281.98 PRESSAVG: 4682000 -3.95643 -50.2043 -37.9229 -50.2043 -34.3758 3.27348 -37.9229 3.27345 -1.22317 GPRESSAVG: 4682000 -2.61012 -48.9077 -39.3116 -49.5946 -34.327 3.41418 -39.8556 4.52721 -2.34522 TIMING: 4682000 CPU: 15106, 0.00313644/step Wall: 15106, 0.00313644/step, 0.277052 hours remaining, 236.113281 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: 4682000 3966.3905 20484.1838 14463.8396 247.5925 -204098.4788 2811.8224 0.0000 0.0000 52009.9415 -110114.7083 298.9018 -162124.6499 -109745.6319 298.8412 210.1265 240.6080 760841.0144 -13.1851 -13.0941 PRESSURE: 4682200 11.464 -101.037 -206.904 -101.037 -148.046 1.06837 -206.904 1.06893 110.168 GPRESSURE: 4682200 14.2438 -42.9175 -140.282 -85.437 -31.2785 -100.637 -263.319 36.5799 77.0002 PRESSAVG: 4682200 9.83442 -44.6209 -0.614955 -44.6209 3.16574 33.2398 -0.614925 33.2399 3.40772 GPRESSAVG: 4682200 9.48056 -45.382 0.763181 -45.4655 2.56083 33.7524 -0.540639 31.9824 4.02851 TIMING: 4682200 CPU: 15106.6, 0.00312719/step Wall: 15106.6, 0.00312719/step, 0.276062 hours remaining, 236.113281 MB of memory in use. ENERGY: 4682200 3980.4505 20693.9239 14426.4357 259.0313 -204018.4625 2678.8825 0.0000 0.0000 52072.2842 -109907.4544 299.2601 -161979.7386 -109543.3096 298.8690 -8.8047 19.9885 758822.6783 5.4693 5.3566 PRESSURE: 4682400 111.871 202.522 3.48976 202.522 -94.2333 -14.5709 3.48981 -14.5714 -81.663 GPRESSURE: 4682400 75.5143 264.678 39.31 116.326 -41.8015 -64.7787 20.6439 65.0045 -22.0491 PRESSAVG: 4682400 -26.763 -49.4983 19.2472 -49.4982 35.946 13.9682 19.2472 13.9681 7.91743 GPRESSAVG: 4682400 -28.1112 -50.0742 19.4121 -50.962 36.8598 12.5693 19.6362 14.7221 8.42977 TIMING: 4682400 CPU: 15107.2, 0.00311761/step Wall: 15107.2, 0.00311761/step, 0.275042 hours remaining, 236.113281 MB of memory in use. ENERGY: 4682400 4023.1582 20776.0988 14465.2257 236.6193 -203655.6015 2247.7397 0.0000 0.0000 52084.7214 -109822.0385 299.3316 -161906.7599 -109457.3513 299.4295 -21.3419 3.8879 757688.0207 5.7001 5.7261 PRESSURE: 4682600 -115.024 58.9536 241.533 58.9547 48.713 18.4586 241.533 18.4584 24.7042 GPRESSURE: 4682600 -139.289 132.858 268.508 26.5329 133.787 53.5349 226.941 -53.5763 39.148 PRESSAVG: 4682600 -39.2837 -31.0477 72.4648 -31.0478 54.9702 -35.7457 72.4648 -35.7456 -6.74805 GPRESSAVG: 4682600 -39.5481 -30.4707 70.8376 -29.695 56.2892 -36.1231 74.6588 -34.2874 -7.59947 TIMING: 4682600 CPU: 15107.8, 0.00314752/step Wall: 15107.8, 0.00314752/step, 0.277507 hours remaining, 236.113281 MB of memory in use. ENERGY: 4682600 3931.8654 20564.4322 14486.7007 255.1904 -203339.6592 2330.4494 0.0000 0.0000 52009.1926 -109761.8284 298.8975 -161771.0210 -109411.4849 299.3119 -13.8689 11.2152 759165.9797 2.9795 3.0472 PRESSURE: 4682800 52.4352 123.196 -119.905 123.196 -155.004 12.0378 -119.904 12.0384 -57.7226 GPRESSURE: 4682800 84.8782 154.022 -169.466 205.266 -146.643 86.6757 -84.4369 -16.4535 -20.4705 PRESSAVG: 4682800 -50.7367 -86.0971 -15.9771 -86.0971 9.40342 23.2274 -15.9771 23.2273 2.15797 GPRESSAVG: 4682800 -50.2492 -84.76 -14.4048 -85.8784 8.40989 25.0137 -19.0634 21.4539 2.80214 TIMING: 4682800 CPU: 15108.5, 0.00315243/step Wall: 15108.5, 0.00315243/step, 0.277764 hours remaining, 236.113281 MB of memory in use. ENERGY: 4682800 3962.4786 20480.3712 14478.5084 243.7508 -203775.4152 2678.2930 0.0000 0.0000 52280.0576 -109651.9556 300.4542 -161932.0133 -109279.3313 299.1400 -53.4304 -27.4119 760542.2122 -13.0585 -13.0124 PRESSURE: 4683000 -319.832 -94.0799 200.019 -94.0806 270.184 -116.067 200.019 -116.067 87.5397 GPRESSURE: 4683000 -379.73 -184.641 216.842 -111.8 302.18 -111.181 119.705 -157.055 205.893 PRESSAVG: 4683000 -24.9541 -62.4804 -9.79882 -62.4804 39.4302 28.3326 -9.79875 28.3326 -2.43646 GPRESSAVG: 4683000 -25.5992 -61.2283 -11.2794 -63.4767 40.1388 27.7864 -6.77612 27.789 -2.97892 TIMING: 4683000 CPU: 15109.1, 0.00313793/step Wall: 15109.1, 0.00313793/step, 0.276312 hours remaining, 236.113281 MB of memory in use. ENERGY: 4683000 4003.3238 20724.2538 14480.9465 251.7669 -203207.1703 2102.3988 0.0000 0.0000 52017.7732 -109626.7073 298.9469 -161644.4805 -109268.9291 299.4083 12.6307 42.7811 759191.1367 4.0132 3.8535 PRESSURE: 4683200 -575.864 -166.177 -84.9505 -166.177 -205.017 63.6035 -84.9499 63.6035 -313.089 GPRESSURE: 4683200 -524.39 -88.2954 -126.434 -29.7816 -175.167 47.1268 76.069 91.8879 -302.89 PRESSAVG: 4683200 -45.8176 -65.3674 29.8091 -65.3674 34.1147 -12.2822 29.8091 -12.2823 6.18103 GPRESSAVG: 4683200 -45.4129 -67.6338 29.2743 -65.9163 33.6573 -12.7756 28.7087 -10.1237 6.90964 TIMING: 4683200 CPU: 15109.7, 0.00310187/step Wall: 15109.7, 0.00310187/step, 0.272964 hours remaining, 236.113281 MB of memory in use. ENERGY: 4683200 4039.5040 20430.4624 14437.0569 264.6240 -203118.0865 2047.1370 0.0000 0.0000 51890.1521 -110009.1500 298.2134 -161899.3020 -109642.5663 298.9178 -364.6566 -334.1489 760408.9477 -1.8406 -1.6153 PRESSURE: 4683400 -68.3838 -58.6749 241.332 -58.6757 -111.394 -258.455 241.332 -258.456 53.2804 GPRESSURE: 4683400 -106.685 -80.1416 106.162 -43.1089 5.06662 -288.394 247.108 -228.461 54.8627 PRESSAVG: 4683400 -1.90762 -57.8282 -46.8721 -57.8281 -36.0007 -45.0805 -46.8721 -45.0805 0.707307 GPRESSAVG: 4683400 -0.608864 -56.3395 -46.7483 -55.0317 -35.9987 -45.148 -47.3408 -45.6222 -0.884962 TIMING: 4683400 CPU: 15110.3, 0.00315261/step Wall: 15110.3, 0.00315261/step, 0.277254 hours remaining, 236.113281 MB of memory in use. ENERGY: 4683400 3997.0658 20497.2007 14440.6356 253.4212 -203989.8742 2756.0492 0.0000 0.0000 52059.7635 -109985.7383 299.1882 -162045.5018 -109632.5226 298.7653 -42.1659 -15.5852 761326.2975 -12.4003 -12.4975 PRESSURE: 4683600 2.2497 165.824 -111.997 165.824 -578.401 222.971 -111.997 222.972 -168.74 GPRESSURE: 4683600 -8.65741 95.1455 -92.179 156.538 -494.035 212.462 -86.8015 105.12 -154.299 PRESSAVG: 4683600 35.8393 -24.3974 -5.09524 -24.3974 -23.6178 -46.6047 -5.09523 -46.6047 12.8849 GPRESSAVG: 4683600 34.3759 -26.449 -2.69666 -27.0649 -23.3915 -47.7498 -6.82079 -46.3289 13.5407 TIMING: 4683600 CPU: 15111, 0.00315026/step Wall: 15111, 0.00315026/step, 0.276873 hours remaining, 236.113281 MB of memory in use. ENERGY: 4683600 3978.0693 20406.3515 14411.3253 245.9890 -203166.4889 2356.5332 0.0000 0.0000 52101.9347 -109666.2859 299.4305 -161768.2206 -109288.6445 299.3727 -248.2972 -218.9972 760731.9885 8.3688 8.1750 PRESSURE: 4683800 226.763 45.5431 128.123 45.5429 93.9342 443.187 128.123 443.187 -15.2228 GPRESSURE: 4683800 218.794 79.2559 171.862 -0.690865 83.2603 384.571 -7.69961 290.716 92.0282 PRESSAVG: 4683800 26.2657 -41.5738 6.07522 -41.5738 -23.8104 31.1098 6.07526 31.1098 11.258 GPRESSAVG: 4683800 26.0036 -40.5569 5.24731 -41.2764 -25.0661 32.1586 6.00454 30.0281 12.3382 TIMING: 4683800 CPU: 15111.6, 0.00313656/step Wall: 15111.6, 0.00313656/step, 0.275494 hours remaining, 236.179688 MB of memory in use. ENERGY: 4683800 4021.1484 20638.0115 14496.7804 250.6613 -203347.4394 2727.3737 0.0000 0.0000 51781.0898 -109432.3743 297.5866 -161213.4641 -109075.0978 299.2629 101.8249 131.3609 760578.4682 4.5711 4.4252 PRESSURE: 4684000 -378.852 -156.5 3.7357 -156.499 115.155 27.8893 3.73664 27.8895 -95.3191 GPRESSURE: 4684000 -292.585 -120.275 104.747 -81.35 122.037 -26.0746 -84.2599 84.7479 -102.531 PRESSAVG: 4684000 -21.2932 -43.538 10.1619 -43.538 -14.3184 -13.4852 10.1619 -13.4852 2.13008 GPRESSAVG: 4684000 -20.9029 -44.585 10.2113 -42.5578 -13.5969 -14.7406 10.2765 -13.6053 1.18848 TIMING: 4684000 CPU: 15112.2, 0.00314227/step Wall: 15112.2, 0.00314227/step, 0.275822 hours remaining, 236.179688 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: 4684000 4009.5278 20525.3640 14430.9213 256.9234 -203597.3965 2539.7003 0.0000 0.0000 52320.2344 -109514.7252 300.6851 -161834.9597 -109144.1321 299.8313 -119.6721 -91.0262 760769.5021 -11.1605 -11.1038 PRESSURE: 4684200 -24.9006 74.3999 218.168 74.3991 5.03082 2.57642 218.169 2.57635 -103.947 GPRESSURE: 4684200 -104.718 62.6125 208.537 -60.5363 0.34891 106.294 106.694 43.9148 29.005 PRESSAVG: 4684200 -8.90246 -35.881 16.9896 -35.8811 16.1602 -38.2842 16.9896 -38.2842 -0.171704 GPRESSAVG: 4684200 -8.00459 -35.2303 16.2554 -35.4743 15.9694 -36.7812 18.024 -36.2331 -1.38306 TIMING: 4684200 CPU: 15112.9, 0.00312961/step Wall: 15112.9, 0.00312961/step, 0.274537 hours remaining, 236.179688 MB of memory in use. ENERGY: 4684200 4037.0456 20496.5695 14525.1748 239.2627 -203416.9199 2495.8245 0.0000 0.0000 52286.7963 -109336.2464 300.4929 -161623.0427 -108976.4362 299.7118 -41.2723 -25.1213 761425.2372 2.3620 2.1939 LDB: ============= START OF LOAD BALANCING ============== 15125.3 LDB: ============== END OF LOAD BALANCING =============== 15125.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15125.3 LDB: ============= START OF LOAD BALANCING ============== 15125.6 LDB: Largest compute 7037 load 0.031666 is 16.2% of average load 0.195650 LDB: Average compute 0.004368 is 2.2% of average load 0.195650 LDB: TIME 15125.6 LOAD: AVG 0.19565 MAX 0.212441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.855 MB LDB: TIME 15125.6 LOAD: AVG 0.19565 MAX 0.212441 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: TIME 15125.6 LOAD: AVG 0.19565 MAX 0.212441 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: ============== END OF LOAD BALANCING =============== 15125.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15125.6 PRESSURE: 4684400 283.824 -205.543 -64.3001 -205.543 298.847 125.036 -64.299 125.035 375.197 GPRESSURE: 4684400 232.552 -207.997 -28.6442 -106.662 371.861 -3.27494 12.6797 41.1746 422.525 PRESSAVG: 4684400 -20.9042 -56.4955 58.8514 -56.4955 -8.25151 14.0481 58.8513 14.0481 -20.2147 GPRESSAVG: 4684400 -21.0801 -55.6994 59.9269 -57.6053 -9.10302 12.7189 59.9719 13.8703 -19.4786 TIMING: 4684400 CPU: 15113.5, 0.00317825/step Wall: 15113.5, 0.00317825/step, 0.278627 hours remaining, 234.683594 MB of memory in use. ENERGY: 4684400 3996.2848 20641.4664 14489.5934 242.7115 -203632.6001 2812.4373 0.0000 0.0000 52130.8521 -109319.2547 299.5967 -161450.1068 -108957.4588 299.9181 319.2895 342.3130 761458.9492 -16.4568 -16.5539 PRESSURE: 4684600 -264.088 -198.931 85.3951 -198.931 33.4218 -188.681 85.395 -188.681 -165.982 GPRESSURE: 4684600 -176.203 -207.698 -21.8117 -281.468 4.80867 -197.837 97.0384 -136.371 -155.179 PRESSAVG: 4684600 28.3883 -58.5723 13.9817 -58.5723 -16.8744 24.7453 13.9817 24.7453 1.58392 GPRESSAVG: 4684600 27.7865 -59.3692 13.5697 -57.4158 -15.4844 26.2216 13.0564 23.6234 1.18001 TIMING: 4684600 CPU: 15114.1, 0.00310593/step Wall: 15114.1, 0.00310593/step, 0.272114 hours remaining, 235.156250 MB of memory in use. ENERGY: 4684600 4028.4462 20677.3547 14564.9944 244.0011 -203334.0035 2476.7620 0.0000 0.0000 52163.3588 -109179.0863 299.7835 -161342.4451 -108817.4160 300.6046 -132.2161 -108.8577 761349.2794 4.3659 4.4941 PRESSURE: 4684800 17.2646 -275.47 232.939 -275.469 426.299 -183.117 232.938 -183.117 416.182 GPRESSURE: 4684800 15.57 -229.963 212.465 -259.562 508.238 -200.107 288.626 -148.576 443.574 PRESSAVG: 4684800 -43.4736 -45.0607 55.2899 -45.0607 72.8459 -26.4401 55.29 -26.4401 -7.23988 GPRESSAVG: 4684800 -44.0696 -44.772 54.3594 -44.1002 73.5069 -26.402 54.4531 -26.6453 -7.18116 TIMING: 4684800 CPU: 15114.7, 0.00310983/step Wall: 15114.7, 0.00310983/step, 0.272283 hours remaining, 235.281250 MB of memory in use. ENERGY: 4684800 3930.9335 20585.0162 14466.4635 237.2576 -203586.4565 2581.4480 0.0000 0.0000 52298.1880 -109487.1498 300.5584 -161785.3378 -109111.4918 300.2294 286.5818 322.4607 759474.8577 7.3775 7.4187 PRESSURE: 4685000 196.067 123.132 76.3765 123.131 106.982 -252.868 76.3771 -252.869 250.297 GPRESSURE: 4685000 159.685 124.55 53.4028 -67.2892 218.338 -210.643 105.657 -223.542 240.782 PRESSAVG: 4685000 -13.9189 -37.8537 -8.87304 -37.8538 5.35654 24.9227 -8.87308 24.9227 1.40911 GPRESSAVG: 4685000 -13.6715 -37.0535 -8.7893 -40.5407 4.07247 23.6906 -8.48042 25.2743 2.06928 TIMING: 4685000 CPU: 15115.4, 0.00309667/step Wall: 15115.4, 0.00309667/step, 0.270958 hours remaining, 235.281250 MB of memory in use. ENERGY: 4685000 4014.2636 20571.4877 14466.0207 239.0761 -203809.3650 2803.8826 0.0000 0.0000 52251.6757 -109462.9585 300.2911 -161714.6343 -109090.9576 299.6901 184.4488 206.2682 759701.7400 -2.3844 -2.5099 PRESSURE: 4685200 -92.0726 -89.6686 83.4217 -89.6692 -12.0399 57.6001 83.4216 57.6005 80.0422 GPRESSURE: 4685200 -25.9392 -155.525 114.841 -73.1092 -45.332 27.8239 90.502 -115.14 137.884 PRESSAVG: 4685200 10.5111 -13.5916 -5.89858 -13.5916 -30.1126 49.2601 -5.8986 49.2601 -16.1213 GPRESSAVG: 4685200 10.1389 -12.1994 -6.10204 -14.1953 -28.9217 49.8577 -4.73626 48.2016 -16.7717 TIMING: 4685200 CPU: 15116, 0.00310426/step Wall: 15116, 0.00310426/step, 0.27145 hours remaining, 235.281250 MB of memory in use. ENERGY: 4685200 3990.7091 20531.6346 14543.4865 241.0002 -203817.0211 2703.8969 0.0000 0.0000 52211.5611 -109594.7328 300.0606 -161806.2939 -109228.8265 299.3460 -8.0234 22.2041 759164.2527 -11.9076 -11.8515 PRESSURE: 4685400 -195.092 -9.13857 -126.793 -9.1393 -380.856 -122.491 -126.792 -122.49 -2.03163 GPRESSURE: 4685400 -157.406 69.291 -98.0554 -65.3976 -265.148 0.997338 -89.3911 -248.433 -50.556 PRESSAVG: 4685400 62.7667 2.58759 -8.38139 2.58762 -72.7076 14.0599 -8.38145 14.0599 -7.22032 GPRESSAVG: 4685400 63.3196 1.37009 -10.2048 3.82415 -73.4514 15.6513 -8.1834 14.1784 -7.48182 TIMING: 4685400 CPU: 15116.6, 0.00310025/step Wall: 15116.6, 0.00310025/step, 0.270928 hours remaining, 235.281250 MB of memory in use. ENERGY: 4685400 4078.9829 20604.3883 14411.5156 242.2138 -203748.0685 2703.1144 0.0000 0.0000 52002.0302 -109705.8233 298.8564 -161707.8535 -109345.6186 299.6236 -192.6597 -157.7035 760760.4976 -5.7204 -5.8712 PRESSURE: 4685600 -66.0766 -130.77 -37.18 -130.77 388.341 48.9141 -37.1791 48.9134 -461.506 GPRESSURE: 4685600 -84.2001 -204.596 8.36661 25.4964 425.858 100.041 -47.0272 -21.7224 -389.683 PRESSAVG: 4685600 4.20082 -8.00169 -8.28938 -8.00173 -29.4523 -5.76069 -8.28944 -5.76064 17.2224 GPRESSAVG: 4685600 3.24401 -9.03179 -7.61313 -6.71229 -29.3436 -5.37425 -9.30871 -5.49532 17.8651 TIMING: 4685600 CPU: 15117.2, 0.00310143/step Wall: 15117.2, 0.00310143/step, 0.270858 hours remaining, 235.281250 MB of memory in use. ENERGY: 4685600 4016.4788 20610.8535 14591.6991 240.7202 -203891.0486 2787.7644 0.0000 0.0000 51881.6898 -109761.8428 298.1648 -161643.5326 -109394.6515 299.4284 -46.4139 -16.0084 761084.8275 -2.6764 -2.7448 PRESSURE: 4685800 416.031 -105.271 -18.8293 -105.271 -228.235 176.926 -18.8301 176.925 -3.36264 GPRESSURE: 4685800 311.53 -51.0995 -51.9062 -20.7589 -80.6955 235.094 -35.5724 25.7766 42.0894 PRESSAVG: 4685800 -31.5322 -0.18986 -1.95535 -0.189905 -14.455 -2.67209 -1.95538 -2.67215 -37.4388 GPRESSAVG: 4685800 -30.8259 0.178197 -2.52199 -1.00179 -14.4312 -4.15898 -2.91977 -2.63875 -38.3326 TIMING: 4685800 CPU: 15117.8, 0.00311343/step Wall: 15117.8, 0.00311343/step, 0.271733 hours remaining, 235.281250 MB of memory in use. ENERGY: 4685800 3996.7424 20551.5877 14465.1506 250.2504 -203760.0933 2645.0794 0.0000 0.0000 52099.0791 -109752.2037 299.4141 -161851.2828 -109379.2438 298.7312 61.4777 90.9748 759543.8226 -27.8087 -27.8632 PRESSURE: 4686000 -469.099 -77.9944 -197.085 -77.9941 -35.5411 -176.371 -197.085 -176.372 30.3956 GPRESSURE: 4686000 -368.264 -27.9625 -102.246 -53.6435 -4.88136 -191.117 -184.806 -84.4147 -11.0843 PRESSAVG: 4686000 -29.624 -48.0147 38.1077 -48.0146 -25.4048 25.2514 38.1076 25.2514 41.062 GPRESSAVG: 4686000 -29.5302 -48.263 38.1546 -46.9885 -25.3434 24.6426 38.205 25.1103 41.6 TIMING: 4686000 CPU: 15118.5, 0.00311413/step Wall: 15118.5, 0.00311413/step, 0.271621 hours remaining, 235.281250 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: 4686000 3980.6112 20709.3680 14506.6249 243.7353 -203519.4877 2386.8162 0.0000 0.0000 52073.9977 -109618.3344 299.2700 -161692.3321 -109262.0920 299.0710 -158.0815 -128.0766 759880.0148 -4.6556 -4.4245 PRESSURE: 4686200 -151.461 -165.425 150.472 -165.425 -101.067 -215.884 150.472 -215.884 -113.55 GPRESSURE: 4686200 -158.138 -211.942 141.592 -204.27 -83.2447 -153.44 180.483 -172.751 -48.1156 PRESSAVG: 4686200 -0.385309 -22.993 26.0276 -22.993 -36.2869 6.72079 26.0276 6.72085 21.4417 GPRESSAVG: 4686200 -1.29526 -21.6958 26.161 -26.2822 -34.8818 7.53422 26.2344 7.36296 20.8061 TIMING: 4686200 CPU: 15119.1, 0.00310713/step Wall: 15119.1, 0.00310713/step, 0.270838 hours remaining, 235.281250 MB of memory in use. ENERGY: 4686200 4022.4027 20719.6425 14499.9882 253.9541 -203237.4303 2321.0771 0.0000 0.0000 51875.5230 -109544.8428 298.1293 -161420.3658 -109192.3182 299.4349 -122.0260 -96.4994 762203.7048 -5.0768 -5.1237 PRESSURE: 4686400 186.871 -69.6584 109.299 -69.6586 -230.4 151.562 109.299 151.562 69.1486 GPRESSURE: 4686400 225.094 -39.2317 136.608 -91.5793 -196.664 112.796 89.7954 130.745 78.789 PRESSAVG: 4686400 18.0942 -14.5235 -43.2619 -14.5235 -18.3075 19.9721 -43.262 19.9721 -18.9005 GPRESSAVG: 4686400 19.364 -17.0522 -43.5691 -14.4182 -19.3905 19.4819 -43.8802 18.014 -19.0093 TIMING: 4686400 CPU: 15119.7, 0.00311536/step Wall: 15119.7, 0.00311536/step, 0.271382 hours remaining, 235.281250 MB of memory in use. ENERGY: 4686400 4078.1806 20606.0393 14473.5326 253.1985 -203773.1148 2816.9542 0.0000 0.0000 51931.0590 -109614.1505 298.4485 -161545.2096 -109257.3129 299.1498 8.5400 35.7397 761100.9381 -6.3713 -6.3453 PRESSURE: 4686600 -272.158 188.944 -26.5645 188.943 -46.3467 25.0216 -26.5643 25.0214 -167.516 GPRESSURE: 4686600 -254.046 118.989 -112.457 112.631 11.1171 104.414 98.8425 -108.447 -155.054 PRESSAVG: 4686600 29.1594 -25.7506 -10.9012 -25.7506 -16.3684 14.156 -10.9012 14.1559 16.1444 GPRESSAVG: 4686600 28.4417 -23.6726 -10.2093 -23.7567 -16.0175 15.3763 -9.52837 15.1664 16.6426 TIMING: 4686600 CPU: 15120.3, 0.00309588/step Wall: 15120.3, 0.00309588/step, 0.269514 hours remaining, 235.281250 MB of memory in use. ENERGY: 4686600 4010.3312 20495.8652 14489.6941 220.9834 -203346.3838 2321.6739 0.0000 0.0000 52246.9060 -109560.9300 300.2637 -161807.8359 -109198.6951 299.0711 -162.0068 -132.6609 761568.5801 9.6451 9.6889 PRESSURE: 4686800 -105.252 75.7293 -91.6685 75.7298 -5.65158 166.25 -91.6686 166.248 -243.484 GPRESSURE: 4686800 -97.9118 -23.2518 -123.262 51.3029 6.0975 70.3539 -77.7885 209.895 -188.644 PRESSAVG: 4686800 32.4104 -34.9512 15.3499 -34.9513 12.9948 40.2183 15.3498 40.2183 20.3709 GPRESSAVG: 4686800 33.4206 -34.4607 15.1647 -34.1057 13.5011 40.306 13.9611 37.7105 19.4437 TIMING: 4686800 CPU: 15120.9, 0.00311155/step Wall: 15120.9, 0.00311155/step, 0.270705 hours remaining, 235.281250 MB of memory in use. ENERGY: 4686800 4003.1150 20671.5886 14512.9269 230.5252 -203200.5890 2353.0382 0.0000 0.0000 51967.0276 -109462.3674 298.6552 -161429.3950 -109101.2810 299.3993 -118.1292 -93.4860 761320.5843 21.9254 22.1218 PRESSURE: 4687000 -69.1694 19.4774 -297.805 19.4779 76.2098 161.69 -297.803 161.691 22.716 GPRESSURE: 4687000 -17.5587 37.0234 -276.971 118.533 109.431 166.469 -251.709 39.6816 29.3385 PRESSAVG: 4687000 23.9388 -60.0228 -31.664 -60.0229 -41.6579 47.9644 -31.664 47.9645 27.0687 GPRESSAVG: 4687000 22.2179 -60.3636 -30.4203 -60.0558 -42.6864 46.7204 -32.0863 48.6329 29.81 TIMING: 4687000 CPU: 15121.6, 0.00311863/step Wall: 15121.6, 0.00311863/step, 0.271148 hours remaining, 235.281250 MB of memory in use. ENERGY: 4687000 3913.0433 20559.3656 14466.8986 273.6242 -203198.3784 2487.8664 0.0000 0.0000 52138.9997 -109358.5806 299.6435 -161497.5803 -108991.7451 299.5364 9.9188 40.4036 760750.0282 3.1165 3.1138 PRESSURE: 4687200 -248.426 20.2991 19.1798 20.2985 -192.757 66.1845 19.1801 66.1851 -267.797 GPRESSURE: 4687200 -185.21 29.8488 71.4839 1.29703 -79.2654 21.5046 -61.2308 158.819 -355.885 PRESSAVG: 4687200 32.8749 -55.0267 -25.2263 -55.0267 7.472 -31.8599 -25.2263 -31.8599 -13.7871 GPRESSAVG: 4687200 33.7693 -55.5303 -25.7891 -53.8439 8.7654 -31.2643 -22.9724 -30.4698 -15.7721 TIMING: 4687200 CPU: 15122.2, 0.00310474/step Wall: 15122.2, 0.00310474/step, 0.269767 hours remaining, 235.281250 MB of memory in use. ENERGY: 4687200 3976.0401 20488.0280 14440.9500 228.6715 -203467.3271 2196.3750 0.0000 0.0000 52290.0993 -109847.1632 300.5119 -162137.2625 -109472.9184 299.2379 -236.3270 -206.7868 761572.6693 8.8532 8.9209 PRESSURE: 4687400 -64.8792 42.9237 19.9753 42.9238 -33.4718 -129.802 19.975 -129.801 -185.416 GPRESSURE: 4687400 90.4874 -9.0312 15.4541 37.4331 -126.251 -148.652 27.1178 -137.543 -141.633 PRESSAVG: 4687400 54.4607 -62.7095 -4.67555 -62.7094 -66.7811 5.25842 -4.6756 5.25843 -11.7745 GPRESSAVG: 4687400 54.9859 -60.5942 -6.65554 -64.6458 -67.1656 6.40538 -6.43272 4.02071 -11.6562 TIMING: 4687400 CPU: 15122.8, 0.00309275/step Wall: 15122.8, 0.00309275/step, 0.268554 hours remaining, 235.281250 MB of memory in use. ENERGY: 4687400 4059.1522 20631.9493 14508.4816 228.9150 -203384.9841 2643.6150 0.0000 0.0000 51684.5457 -109628.3253 297.0318 -161312.8710 -109276.4954 299.0116 -94.5890 -59.1322 761372.2168 -8.0316 -7.9453 PRESSURE: 4687600 43.0136 -8.33104 -216.237 -8.33201 -121.006 -221.097 -216.238 -221.097 -97.1753 GPRESSURE: 4687600 153.079 93.9758 -157.768 -24.9427 -194.822 -226.145 -325.23 -302.077 -45.0321 PRESSAVG: 4687600 93.0539 -11.7378 31.8318 -11.7378 -86.3143 -19.6662 31.8317 -19.6662 -4.27103 GPRESSAVG: 4687600 91.384 -13.5337 32.9582 -9.79924 -86.625 -20.8458 32.6308 -18.9324 -2.70303 TIMING: 4687600 CPU: 15123.4, 0.00310074/step Wall: 15123.4, 0.00310074/step, 0.269075 hours remaining, 235.281250 MB of memory in use. ENERGY: 4687600 3989.2464 20629.7566 14447.7480 242.3701 -203256.8437 2457.0357 0.0000 0.0000 52039.5649 -109451.1221 299.0721 -161490.6870 -109100.7939 298.8272 -58.3893 -28.9247 762562.2273 0.8229 0.6853 PRESSURE: 4687800 35.7505 189.882 -118.453 189.882 -50.9709 -55.8939 -118.453 -55.894 -551.109 GPRESSURE: 4687800 90.0241 79.4391 -127.806 179.05 18.7155 -63.8831 -107.61 -175.426 -574.111 PRESSAVG: 4687800 68.8688 -61.9517 17.8697 -61.9517 -37.8856 -61.0909 17.8697 -61.0909 -12.4577 GPRESSAVG: 4687800 70.1562 -61.3584 17.6534 -62.6713 -38.0769 -61.0021 18.9165 -61.6494 -13.8325 TIMING: 4687800 CPU: 15124.1, 0.00310655/step Wall: 15124.1, 0.00310655/step, 0.269407 hours remaining, 235.281250 MB of memory in use. ENERGY: 4687800 3939.8719 20649.1903 14426.2176 249.0158 -203335.7382 2644.7949 0.0000 0.0000 51956.4371 -109470.2106 298.5944 -161426.6477 -109105.2827 299.1604 -188.7764 -155.1237 761956.7774 6.1752 6.0823 PRESSURE: 4688000 104.551 -7.12713 104.843 -7.12639 -92.4729 -146.246 104.842 -146.247 -362.429 GPRESSURE: 4688000 7.06555 -26.6439 61.2464 -65.8045 -70.4679 -168.434 102.455 -70.9704 -223.56 PRESSAVG: 4688000 48.4157 -34.3486 9.59309 -34.3486 -26.5158 -25.3523 9.59311 -25.3523 -27.4897 GPRESSAVG: 4688000 48.7227 -33.2392 9.20087 -35.035 -25.7676 -25.5682 8.36434 -25.3232 -28.334 TIMING: 4688000 CPU: 15124.7, 0.00310485/step Wall: 15124.7, 0.00310485/step, 0.269087 hours remaining, 235.281250 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: 4688000 3833.5168 20586.4758 14434.7855 233.3949 -203529.3083 2670.6388 0.0000 0.0000 52110.9688 -109659.5277 299.4825 -161770.4965 -109293.5636 299.1182 -116.7833 -95.6542 761130.2418 -1.8633 -1.7930 PRESSURE: 4688200 -158.278 -88.0622 -5.10692 -88.0624 -52.8474 -208.489 -5.10675 -208.49 -222.865 GPRESSURE: 4688200 -84.073 -206.199 -3.46154 -113.245 -26.3365 -134.623 118.096 -148.421 -245.641 PRESSAVG: 4688200 -27.497 -57.2409 -1.62686 -57.2409 3.11633 -73.8608 -1.62686 -73.8609 3.23682 GPRESSAVG: 4688200 -27.3745 -58.0326 -1.62161 -56.3332 2.23152 -73.3756 -1.2254 -71.8724 3.51831 TIMING: 4688200 CPU: 15125.3, 0.00310864/step Wall: 15125.3, 0.00310864/step, 0.269243 hours remaining, 235.281250 MB of memory in use. ENERGY: 4688200 3917.0170 20459.0969 14509.5469 228.2388 -203404.6189 2518.6565 0.0000 0.0000 52078.2640 -109693.7990 299.2945 -161772.0629 -109321.9294 298.8390 -144.6634 -118.6836 761098.9213 -7.0479 -7.2082 LDB: ============= START OF LOAD BALANCING ============== 15137.7 LDB: ============== END OF LOAD BALANCING =============== 15137.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15137.7 LDB: ============= START OF LOAD BALANCING ============== 15138 LDB: Largest compute 7025 load 0.033857 is 17.3% of average load 0.195568 LDB: Average compute 0.004399 is 2.2% of average load 0.195568 LDB: TIME 15138 LOAD: AVG 0.195568 MAX 0.212266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.543 MB LDB: TIME 15138 LOAD: AVG 0.195568 MAX 0.212266 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: TIME 15138 LOAD: AVG 0.195568 MAX 0.212266 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: ============== END OF LOAD BALANCING =============== 15138 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15138 PRESSURE: 4688400 -267.926 65.9708 45.1127 65.971 -293.409 62.7383 45.1126 62.7382 112.221 GPRESSURE: 4688400 -205.764 42.8267 55.7883 59.5515 -271.384 84.2969 25.2323 -91.6399 139.09 PRESSAVG: 4688400 -35.7525 -20.2005 -3.32909 -20.2005 2.23816 -71.7206 -3.32914 -71.7206 20.763 GPRESSAVG: 4688400 -35.8334 -19.9812 -3.14469 -21.6664 0.510865 -71.6762 -6.14592 -72.7576 22.7085 TIMING: 4688400 CPU: 15125.9, 0.0031809/step Wall: 15125.9, 0.0031809/step, 0.275325 hours remaining, 236.804688 MB of memory in use. ENERGY: 4688400 3997.8564 20529.8784 14455.8961 249.2903 -203689.6000 2652.6827 0.0000 0.0000 52106.7067 -109697.2894 299.4580 -161803.9961 -109334.2576 298.2752 -149.7045 -112.6861 761324.0205 -4.2505 -4.2047 PRESSURE: 4688600 -164.389 -257.712 -292.241 -257.711 -128.577 -99.2581 -292.241 -99.2586 -234.812 GPRESSURE: 4688600 -155.229 -221.753 -326.441 -307.376 -56.7839 -123.075 -242.793 -69.0935 -229.834 PRESSAVG: 4688600 -25.6799 -56.3592 -36.9312 -56.3592 41.3065 -27.2936 -36.9312 -27.2936 30.5608 GPRESSAVG: 4688600 -27.0326 -55.7371 -35.5735 -54.3323 43.4836 -28.7934 -33.9117 -27.2287 29.2402 TIMING: 4688600 CPU: 15126.6, 0.00310711/step Wall: 15126.6, 0.00310711/step, 0.268765 hours remaining, 237.007812 MB of memory in use. ENERGY: 4688600 3966.1586 20524.2219 14435.1888 255.1935 -203497.5743 2448.3740 0.0000 0.0000 52246.5842 -109621.8532 300.2618 -161868.4374 -109256.4867 298.7180 -175.9260 -147.2824 760327.7372 15.3958 15.2304 PRESSURE: 4688800 42.8591 -21.8697 108.856 -21.8688 -47.7961 77.8672 108.855 77.8674 -92.7359 GPRESSURE: 4688800 100.812 -63.5014 122.741 108.132 -69.2385 11.8613 54.2155 -98.3204 -51.8151 PRESSAVG: 4688800 -8.84456 -31.0756 40.365 -31.0756 -18.4564 -57.064 40.365 -57.0639 -3.19613 GPRESSAVG: 4688800 -7.59016 -31.2735 40.1788 -31.9209 -18.7669 -56.076 38.2408 -55.6006 -4.42664 TIMING: 4688800 CPU: 15127.2, 0.00310412/step Wall: 15127.2, 0.00310412/step, 0.268334 hours remaining, 237.132812 MB of memory in use. ENERGY: 4688800 4028.2141 20606.1105 14504.1395 261.5139 -203504.4329 2395.6538 0.0000 0.0000 51952.4085 -109756.3926 298.5712 -161708.8011 -109396.8056 298.6019 -32.5576 -6.7473 760009.5121 -10.1657 -10.2612 PRESSURE: 4689000 -266.612 -40.9776 132.397 -40.9773 -32.4102 351.634 132.397 351.634 -249.179 GPRESSURE: 4689000 -216.018 -111.915 97.1333 -46.2846 -23.9596 331.16 120.803 271.524 -231.341 PRESSAVG: 4689000 32.7916 -13.7208 29.9968 -13.7209 -26.013 -20.1045 29.9968 -20.1045 -12.4788 GPRESSAVG: 4689000 31.3468 -15.1762 30.0537 -14.2938 -26.5278 -20.4379 31.0571 -20.8558 -10.363 TIMING: 4689000 CPU: 15127.8, 0.00311242/step Wall: 15127.8, 0.00311242/step, 0.268879 hours remaining, 237.132812 MB of memory in use. ENERGY: 4689000 4003.6403 20554.2903 14379.2171 255.3317 -203382.0492 2439.3943 0.0000 0.0000 51969.3459 -109780.8296 298.6685 -161750.1755 -109408.3817 299.1288 -182.7337 -157.1064 762630.1786 -1.9001 -1.8480 PRESSURE: 4689200 126.001 92.5598 14.5915 92.5602 -209.177 -257.795 14.5921 -257.796 -40.4305 GPRESSURE: 4689200 90.7866 1.174 104.603 79.24 -59.0137 -325.51 -79.7286 -87.0078 -57.8664 PRESSAVG: 4689200 -19.5107 -60.3361 16.1448 -60.3361 -15.2043 -43.7604 16.1448 -43.7604 2.96638 GPRESSAVG: 4689200 -19.2007 -60.3027 14.5113 -59.8782 -14.2463 -43.8111 15.9196 -42.8408 1.65017 TIMING: 4689200 CPU: 15128.4, 0.00309542/step Wall: 15128.4, 0.00309542/step, 0.267238 hours remaining, 237.332031 MB of memory in use. ENERGY: 4689200 4007.0874 20396.6614 14365.3592 249.6019 -203581.0050 2821.4203 0.0000 0.0000 51876.8833 -109863.9914 298.1372 -161740.8748 -109503.6614 298.3996 -41.2021 -8.6978 761205.0331 -10.5829 -10.5989 PRESSURE: 4689400 49.3432 51.7696 -19.5767 51.7704 77.0455 -61.6931 -19.5773 -61.6931 -45.629 GPRESSURE: 4689400 58.2758 85.7479 -143.44 74.8972 78.7947 -43.7023 104.501 -102.738 26.9922 PRESSAVG: 4689400 -56.8284 -19.8588 -15.8305 -19.8588 47.8634 40.8324 -15.8306 40.8323 28.0033 GPRESSAVG: 4689400 -56.1866 -19.9264 -14.424 -19.7779 47.8085 41.3356 -15.8261 40.0781 28.3172 TIMING: 4689400 CPU: 15129, 0.00310576/step Wall: 15129, 0.00310576/step, 0.267958 hours remaining, 237.402344 MB of memory in use. ENERGY: 4689400 3968.3582 20542.4556 14387.6665 261.8803 -203374.2956 2512.8730 0.0000 0.0000 52034.5393 -109666.5228 299.0432 -161701.0621 -109309.7319 298.4708 26.9199 54.6876 761988.3914 6.3461 6.6464 PRESSURE: 4689600 -166.855 150.175 -165.509 150.176 -113.908 -274.597 -165.509 -274.597 113.839 GPRESSURE: 4689600 -121.765 53.351 -37.9897 42.6517 -33.6827 -206.204 -150.595 -123.692 68.4585 PRESSAVG: 4689600 -25.7107 -25.3629 -86.7825 -25.3629 19.9832 12.1459 -86.7825 12.1458 -10.2431 GPRESSAVG: 4689600 -26.8968 -25.1396 -87.2504 -26.1619 21.075 11.6159 -87.7447 12.544 -10.8397 TIMING: 4689600 CPU: 15129.7, 0.0031118/step Wall: 15129.7, 0.0031118/step, 0.268306 hours remaining, 237.402344 MB of memory in use. ENERGY: 4689600 3955.8161 20437.2182 14510.0094 239.4757 -203365.7341 2718.1607 0.0000 0.0000 52109.1514 -109395.9028 299.4720 -161505.0541 -109028.4946 298.6900 -55.6413 -28.9964 763281.6887 -5.3235 -5.5539 PRESSURE: 4689800 19.9866 -39.0163 -115.365 -39.0165 101.993 -179.081 -115.365 -179.081 62.1604 GPRESSURE: 4689800 14.6277 -86.9014 -75.8188 -117.104 164.79 -178.813 -53.5929 -134.5 86.7645 PRESSAVG: 4689800 6.08775 -51.9552 9.50728 -51.9553 -19.3257 -23.1095 9.5072 -23.1095 5.99922 GPRESSAVG: 4689800 7.21965 -52.4338 7.35015 -49.4649 -20.0978 -24.0892 11.864 -21.0403 5.54845 TIMING: 4689800 CPU: 15130.3, 0.00309289/step Wall: 15130.3, 0.00309289/step, 0.266504 hours remaining, 237.402344 MB of memory in use. ENERGY: 4689800 3976.9174 20561.0480 14471.4447 242.6210 -203089.2167 2684.2336 0.0000 0.0000 51741.5342 -109411.4179 297.3593 -161152.9521 -109052.4101 298.8377 61.3800 88.7275 762945.6269 -2.4129 -2.4432 PRESSURE: 4690000 353.59 -14.4519 -69.842 -14.4519 -112.365 67.2098 -69.8416 67.2107 124.266 GPRESSURE: 4690000 345.346 -7.85764 -63.8267 -47.2498 16.34 51.6686 -119.998 101.465 107.076 PRESSAVG: 4690000 18.8693 -36.9136 58.1206 -36.9136 15.7941 -84.4582 58.1206 -84.4581 -20.7805 GPRESSAVG: 4690000 17.689 -37.493 59.4075 -38.4127 15.1751 -82.9283 57.6351 -88.0471 -19.0036 TIMING: 4690000 CPU: 15130.9, 0.00309975/step Wall: 15130.9, 0.00309975/step, 0.266923 hours remaining, 237.402344 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: 4690000 4010.5237 20408.4343 14516.5466 252.7049 -203489.7438 2795.2698 0.0000 0.0000 51987.7054 -109518.5591 298.7741 -161506.2645 -109155.0602 298.4469 121.8303 156.2540 761970.9916 4.6276 4.6202 PRESSURE: 4690200 -224.058 -231.225 76.9312 -231.225 -94.8825 63.5164 76.9309 63.5173 -119.529 GPRESSURE: 4690200 -186.909 -97.4422 126.891 -149.375 -32.8565 32.8232 141.446 66.0008 -121.505 PRESSAVG: 4690200 48.2993 -16.2468 -25.5961 -16.2468 18.5186 -44.5421 -25.5961 -44.5421 10.822 GPRESSAVG: 4690200 47.6206 -15.6857 -25.0094 -15.4061 19.4105 -44.467 -26.2687 -42.119 10.2455 TIMING: 4690200 CPU: 15131.5, 0.00312926/step Wall: 15131.5, 0.00312926/step, 0.26929 hours remaining, 237.402344 MB of memory in use. ENERGY: 4690200 3972.4666 20394.4696 14464.1790 247.0522 -203015.0737 2262.8951 0.0000 0.0000 52104.6287 -109569.3826 299.4460 -161674.0113 -109214.0021 298.5305 -146.1567 -113.7569 762235.5196 25.8800 25.7589 PRESSURE: 4690400 -100.671 -324.396 -140.814 -324.397 -288.504 -6.76284 -140.814 -6.76252 219.862 GPRESSURE: 4690400 -56.5328 -266.994 -233.159 -160.795 -207.431 -13.5171 -1.94405 30.4327 197.985 PRESSAVG: 4690400 40.2206 -68.7279 -67.0384 -68.7279 -71.4227 20.1993 -67.0384 20.1994 10.4736 GPRESSAVG: 4690400 41.064 -67.0447 -66.1688 -69.5348 -71.086 20.3679 -66.5006 19.6541 9.75629 TIMING: 4690400 CPU: 15132.1, 0.00310493/step Wall: 15132.1, 0.00310493/step, 0.267024 hours remaining, 237.402344 MB of memory in use. ENERGY: 4690400 4022.9583 20474.7313 14468.5069 239.9142 -203815.5237 2823.0724 0.0000 0.0000 52209.0907 -109577.2499 300.0464 -161786.3406 -109226.6110 298.6438 -56.4374 -21.9930 762199.0408 -6.9095 -6.7552 PRESSURE: 4690600 -239.19 -152.38 -31.4874 -152.38 -75.075 -216.611 -31.4873 -216.611 -228.312 GPRESSURE: 4690600 -213.24 -123.171 16.4713 -100.592 -23.2688 -221.211 78.0291 -202.533 -227.873 PRESSAVG: 4690600 21.5108 -36.7383 23.0322 -36.7382 4.07092 2.02429 23.0322 2.0242 25.7552 GPRESSAVG: 4690600 22.267 -36.6723 22.4548 -37.6857 3.52526 1.51679 22.7309 2.94901 24.9576 TIMING: 4690600 CPU: 15132.8, 0.00311223/step Wall: 15132.8, 0.00311223/step, 0.267479 hours remaining, 237.402344 MB of memory in use. ENERGY: 4690600 4036.4341 20660.0721 14467.7100 258.1016 -203391.0120 2490.7156 0.0000 0.0000 51918.2095 -109559.7691 298.3747 -161477.9786 -109194.2094 299.1570 -180.8589 -154.7942 761422.2219 17.1123 16.9166 PRESSURE: 4690800 47.0549 104.408 -202.037 104.409 -178.689 -13.9932 -202.037 -13.995 163.617 GPRESSURE: 4690800 76.6328 145.096 -211.531 -94.3806 -125.048 -0.526836 -208.574 34.8728 153.672 PRESSAVG: 4690800 60.6213 -25.1357 -1.44412 -25.1357 -60.7842 -50.4596 -1.44407 -50.4596 -24.1006 GPRESSAVG: 4690800 60.2182 -26.7288 -1.87343 -23.5073 -60.0357 -50.0277 -1.50932 -54.6222 -24.5062 TIMING: 4690800 CPU: 15133.4, 0.00312294/step Wall: 15133.4, 0.00312294/step, 0.268226 hours remaining, 237.402344 MB of memory in use. ENERGY: 4690800 4006.5829 20485.2888 14414.2486 252.0576 -203633.3322 2715.7806 0.0000 0.0000 52134.8601 -109624.5137 299.6198 -161759.3738 -109262.4308 298.9844 10.6609 35.0856 760813.1494 -8.0879 -8.1079 PRESSURE: 4691000 -117.526 -134.996 -15.4729 -134.996 46.3316 -185.498 -15.474 -185.499 -380.419 GPRESSURE: 4691000 -159.982 -97.9072 -52.1783 -87.8559 80.0384 -222.966 -33.4852 -150.151 -267.462 PRESSAVG: 4691000 36.0903 -16.8265 -0.00790615 -16.8266 -6.14758 -61.0453 -0.00801191 -61.0454 13.3 GPRESSAVG: 4691000 34.9656 -16.8697 -0.339339 -17.5631 -6.5089 -59.3588 -1.23076 -59.2695 14.6243 TIMING: 4691000 CPU: 15134, 0.00313808/step Wall: 15134, 0.00313808/step, 0.269352 hours remaining, 237.402344 MB of memory in use. ENERGY: 4691000 4059.9420 20486.4260 14454.9553 235.3100 -203389.5680 2629.1790 0.0000 0.0000 51665.3598 -109858.3959 296.9215 -161523.7557 -109499.2076 298.5872 -150.5377 -115.8019 761089.4967 14.4143 14.3603 PRESSURE: 4691200 -416.152 100.316 150.091 100.316 171.193 59.3368 150.091 59.3366 0.858495 GPRESSURE: 4691200 -278.062 156.853 136.854 37.8458 140.546 94.4468 164.577 -32.7685 -25.3587 PRESSAVG: 4691200 -8.7242 -52.6461 44.7854 -52.6462 2.73218 -17.5989 44.7854 -17.599 17.5697 GPRESSAVG: 4691200 -8.74116 -54.1329 46.1059 -52.787 3.11106 -19.2601 45.7146 -17.3283 17.0022 TIMING: 4691200 CPU: 15134.6, 0.00312438/step Wall: 15134.6, 0.00312438/step, 0.268002 hours remaining, 237.402344 MB of memory in use. ENERGY: 4691200 3961.5503 20272.6441 14442.8167 251.4969 -203562.4756 2628.2348 0.0000 0.0000 51757.6176 -110248.1152 297.4517 -162005.7329 -109882.0793 297.6961 -81.3667 -54.2915 760819.4313 3.8592 3.7907 PRESSURE: 4691400 -110.107 -109.904 7.22672 -109.905 -251.902 -68.8268 7.2276 -68.8277 -259.034 GPRESSURE: 4691400 -138.277 -207.094 33.0993 -105.54 -178.284 -114.67 -31.1293 -112.695 -219.616 PRESSAVG: 4691400 9.4314 -54.4602 35.3432 -54.4602 -54.6025 -29.5713 35.3433 -29.5713 -4.72325 GPRESSAVG: 4691400 9.44446 -52.7511 33.7983 -55.6886 -53.782 -28.3563 37.2709 -30.5055 -4.91845 TIMING: 4691400 CPU: 15135.3, 0.00311321/step Wall: 15135.3, 0.00311321/step, 0.266872 hours remaining, 237.402344 MB of memory in use. ENERGY: 4691400 3977.2500 20631.5368 14384.9910 234.2852 -203905.5470 2734.5605 0.0000 0.0000 51800.3784 -110142.5451 297.6975 -161942.9235 -109780.6161 297.4564 -207.0142 -178.7258 760484.9729 -16.6314 -16.4187 PRESSURE: 4691600 -194.244 -111.05 178.037 -111.05 -41.152 11.0877 178.036 11.0876 -147.222 GPRESSURE: 4691600 -219.142 -51.8655 174.519 -173.937 44.1921 91.9898 113.933 53.2208 -106.55 PRESSAVG: 4691600 -0.376635 -13.257 -10.1316 -13.257 -23.5328 1.70688 -10.1315 1.70684 -5.2558 GPRESSAVG: 4691600 0.115192 -14.5836 -10.0924 -12.6142 -23.6814 1.11764 -11.8946 2.10839 -4.86956 TIMING: 4691600 CPU: 15135.9, 0.00312953/step Wall: 15135.9, 0.00312953/step, 0.268097 hours remaining, 237.402344 MB of memory in use. ENERGY: 4691600 3966.8985 20520.0222 14351.9892 259.7210 -203764.9208 2568.7057 0.0000 0.0000 52076.5909 -110020.9933 299.2849 -162097.5841 -109655.4412 298.1756 -127.5394 -93.8332 759219.6246 -9.7217 -9.4786 PRESSURE: 4691800 -82.9183 60.8796 48.4331 60.8792 180.303 4.2597 48.4336 4.26023 -395.306 GPRESSURE: 4691800 -111.371 102.363 109.914 96.4093 158.1 69.6838 21.1794 6.48705 -274.929 PRESSAVG: 4691800 -28.5869 -33.1085 14.5416 -33.1085 24.4537 -56.7643 14.5417 -56.7644 -13.508 GPRESSAVG: 4691800 -27.9664 -29.7591 15.5184 -33.5179 23.8186 -57.7998 13.3209 -56.2061 -13.2815 TIMING: 4691800 CPU: 15136.5, 0.00313412/step Wall: 15136.5, 0.00313412/step, 0.268315 hours remaining, 237.402344 MB of memory in use. ENERGY: 4691800 4008.4638 20639.1627 14401.7504 243.9549 -203601.5772 2438.0051 0.0000 0.0000 51937.3725 -109932.8678 298.4848 -161870.2403 -109578.6572 298.7297 -99.3070 -76.0667 760537.4958 -5.8804 -5.8098 PRESSURE: 4692000 -63.5376 -77.8409 -28.2924 -77.841 222.527 -75.7898 -28.2926 -75.7908 -333.574 GPRESSURE: 4692000 -11.2025 -58.7286 -45.2393 -80.5707 250.514 -83.0657 99.1132 -10.8842 -337.93 PRESSAVG: 4692000 18.3908 4.34231 43.8931 4.34236 33.6534 4.49397 43.8931 4.49394 0.869718 GPRESSAVG: 4692000 18.6869 3.31667 43.5392 4.79388 33.6539 5.92467 45.5708 3.09469 0.429408 TIMING: 4692000 CPU: 15137.1, 0.00311163/step Wall: 15137.1, 0.00311163/step, 0.266217 hours remaining, 237.402344 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: 4692000 3944.7100 20502.7080 14453.5610 245.3923 -203167.4648 2411.3098 0.0000 0.0000 51972.5380 -109637.2457 298.6869 -161609.7837 -109277.9718 298.4759 -58.1949 -32.8727 761138.3767 17.6379 17.5901 PRESSURE: 4692200 42.0028 -58.721 -74.9462 -58.7213 -37.2232 -40.9735 -74.9453 -40.9732 -52.5115 GPRESSURE: 4692200 200.639 -73.0201 -42.8063 -195.517 -18.2101 -29.5423 10.5664 -5.84869 -157.483 PRESSAVG: 4692200 37.1481 13.816 22.1933 13.816 -8.16043 -13.3079 22.1934 -13.3079 -19.3604 GPRESSAVG: 4692200 37.1469 13.958 23.829 14.3031 -7.98742 -14.4863 21.4434 -10.8622 -20.3568 TIMING: 4692200 CPU: 15137.8, 0.00311532/step Wall: 15137.8, 0.00311532/step, 0.26636 hours remaining, 237.402344 MB of memory in use. ENERGY: 4692200 4010.6642 20533.5619 14340.1930 246.1857 -203132.5917 2673.7755 0.0000 0.0000 51841.4164 -109486.7950 297.9333 -161328.2114 -109126.1090 298.6903 -15.9106 8.3154 762305.9338 3.2091 2.9342 LDB: ============= START OF LOAD BALANCING ============== 15150.2 LDB: ============== END OF LOAD BALANCING =============== 15150.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15150.2 LDB: ============= START OF LOAD BALANCING ============== 15150.5 LDB: Largest compute 7024 load 0.032477 is 16.6% of average load 0.195661 LDB: Average compute 0.004378 is 2.2% of average load 0.195661 LDB: TIME 15150.5 LOAD: AVG 0.195661 MAX 0.216122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 15150.5 LOAD: AVG 0.195661 MAX 0.216122 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 15150.5 LOAD: AVG 0.195661 MAX 0.216122 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 15150.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15150.5 PRESSURE: 4692400 0.0652049 -160.608 -103.2 -160.609 -101.16 -132.162 -103.2 -132.163 241.608 GPRESSURE: 4692400 -2.77661 -152.628 -192.361 -180.218 -58.185 -144.491 86.1999 -228.811 297.216 PRESSAVG: 4692400 15.6028 -18.4486 6.11165 -18.4485 -11.2107 -46.98 6.11164 -46.9801 17.751 GPRESSAVG: 4692400 15.3609 -18.6833 3.61507 -21.0848 -11.0866 -46.9049 8.07698 -48.106 17.9502 TIMING: 4692400 CPU: 15138.4, 0.0031938/step Wall: 15138.4, 0.00319379/step, 0.272892 hours remaining, 236.156250 MB of memory in use. ENERGY: 4692400 4018.6634 20425.4141 14388.3526 241.0788 -202889.5386 2151.9017 0.0000 0.0000 52261.8041 -109402.3239 300.3493 -161664.1280 -109031.1739 299.3525 46.8375 78.7516 761490.8759 7.3810 7.4082 PRESSURE: 4692600 -280.661 -134.603 115.23 -134.602 -358.997 4.25665 115.231 4.25702 -432.837 GPRESSURE: 4692600 -242.995 -217.583 219.083 -127.21 -232.219 -21.4999 -61.9005 20.998 -524.253 PRESSAVG: 4692600 24.3166 41.7664 49.5508 41.7664 -18.1492 21.7107 49.5508 21.7107 -11.2049 GPRESSAVG: 4692600 23.5905 41.9016 50.4836 41.8736 -17.8975 21.7864 47.7013 19.6718 -10.5109 TIMING: 4692600 CPU: 15139, 0.00312165/step Wall: 15139, 0.00312165/step, 0.266554 hours remaining, 236.617188 MB of memory in use. ENERGY: 4692600 4022.9740 20396.4636 14462.6967 220.7355 -203039.6193 2383.8930 0.0000 0.0000 51989.7533 -109563.1032 298.7858 -161552.8565 -109203.9020 299.6336 -357.4981 -333.1559 761526.2009 -1.6792 -1.6060 PRESSURE: 4692800 286.991 -143.205 43.2362 -143.204 -89.4142 111.397 43.2367 111.398 -157.913 GPRESSURE: 4692800 369.734 -195.893 87.4868 -0.195207 -53.3052 234.34 52.3251 44.6589 -177.027 PRESSAVG: 4692800 74.7174 -6.76341 37.4941 -6.76346 -48.9892 -4.9514 37.494 -4.9515 13.5504 GPRESSAVG: 4692800 74.5826 -8.62619 38.3662 -3.76079 -48.3477 -4.6967 38.1236 -2.20137 13.1021 TIMING: 4692800 CPU: 15139.7, 0.00311704/step Wall: 15139.7, 0.00311704/step, 0.265987 hours remaining, 236.617188 MB of memory in use. ENERGY: 4692800 4058.3259 20513.3285 14451.8195 266.3183 -203716.6072 2846.7661 0.0000 0.0000 52125.0102 -109455.0388 299.5632 -161580.0490 -109104.5372 299.2642 13.2213 46.4673 762232.7853 13.0928 13.1123 PRESSURE: 4693000 -380.177 173.03 -269.162 173.031 -74.1293 -82.7164 -269.162 -82.717 -130.846 GPRESSURE: 4693000 -375.747 114.236 -293.93 175.401 30.619 -111.323 -252.888 -97.7632 -147.623 PRESSAVG: 4693000 42.7753 5.70778 -10.5605 5.70775 -23.872 -26.4214 -10.5604 -26.4213 -18.6211 GPRESSAVG: 4693000 43.5599 7.32189 -13.3115 2.57702 -24.8261 -26.6623 -10.9319 -28.5202 -18.9137 TIMING: 4693000 CPU: 15140.3, 0.00311093/step Wall: 15140.3, 0.00311093/step, 0.265293 hours remaining, 236.617188 MB of memory in use. ENERGY: 4693000 3996.4380 20505.2523 14446.4289 231.4510 -203178.0917 2296.3717 0.0000 0.0000 52282.8488 -109419.3012 300.4703 -161702.1499 -109055.0049 299.7536 -195.0508 -164.2504 762014.8603 0.0941 -0.0600 PRESSURE: 4693200 -46.7663 -177.537 183.814 -177.537 58.1286 -114.117 183.814 -114.116 160.034 GPRESSURE: 4693200 -43.721 -63.0728 124.296 -90.675 146.967 -118.247 181.744 -25.0558 157.249 PRESSAVG: 4693200 -7.78215 -9.90848 -24.7057 -9.90841 -8.83534 -35.3509 -24.7057 -35.351 9.91415 GPRESSAVG: 4693200 -8.9047 -9.56263 -23.6248 -8.21319 -8.25631 -35.5398 -24.896 -35.5513 10.3874 TIMING: 4693200 CPU: 15140.9, 0.00310372/step Wall: 15140.9, 0.00310372/step, 0.264506 hours remaining, 236.617188 MB of memory in use. ENERGY: 4693200 3984.2205 20551.0517 14487.9810 247.4783 -203186.6248 2400.8824 0.0000 0.0000 52182.6511 -109332.3599 299.8944 -161515.0110 -108972.1707 299.5380 57.1320 86.8315 761708.1012 -2.2344 -2.2579 PRESSURE: 4693400 -242.338 -60.686 33.7937 -60.6855 -196.379 -143.659 33.7944 -143.659 -330.558 GPRESSURE: 4693400 -135.559 -79.6088 66.6324 -50.9645 -181.008 -135.183 94.9446 -41.3974 -363.992 PRESSAVG: 4693400 -35.2645 57.2267 13.9432 57.2267 5.24084 -39.6634 13.9431 -39.6634 7.0047 GPRESSAVG: 4693400 -32.6401 57.1831 13.7637 56.4253 4.05869 -37.6963 16.0407 -38.0329 5.56755 TIMING: 4693400 CPU: 15141.5, 0.003098/step Wall: 15141.5, 0.003098/step, 0.263847 hours remaining, 236.617188 MB of memory in use. ENERGY: 4693400 4000.2192 20467.7804 14416.9859 246.4527 -203081.1265 2391.9664 0.0000 0.0000 52239.6671 -109318.0548 300.2221 -161557.7219 -108941.7005 300.0289 -256.4251 -226.8529 761529.2603 -7.6730 -7.6713 PRESSURE: 4693600 -394.794 59.3615 149.768 59.3605 -123.989 -275.743 149.768 -275.742 -316.579 GPRESSURE: 4693600 -330.828 -14.2073 133.673 -86.292 -188.85 -279.678 13.1035 -214.461 -266.572 PRESSAVG: 4693600 55.0384 -51.5109 -1.95227 -51.5109 -14.5638 -71.7589 -1.95231 -71.7589 -2.21523 GPRESSAVG: 4693600 53.8235 -52.7903 0.215304 -50.8398 -14.7717 -73.4455 -4.13571 -74.3095 -0.600003 TIMING: 4693600 CPU: 15142.1, 0.00309948/step Wall: 15142.1, 0.00309948/step, 0.2638 hours remaining, 236.617188 MB of memory in use. ENERGY: 4693600 3916.3922 20450.5530 14461.7853 238.5258 -203136.9117 2609.9997 0.0000 0.0000 52102.1042 -109357.5516 299.4315 -161459.6557 -108998.9661 299.5291 -278.4542 -262.0834 763236.4999 12.7531 12.8173 PRESSURE: 4693800 -272.98 9.20117 12.4544 9.20146 -211.331 -13.753 12.4534 -13.7524 -264.125 GPRESSURE: 4693800 -224.146 -7.54653 -30.2583 -13.6704 -221.133 -21.4492 38.7462 123.819 -229.48 PRESSAVG: 4693800 -64.0698 -33.1464 -40.0133 -33.1463 60.1295 -1.19905 -40.0133 -1.19911 18.4767 GPRESSAVG: 4693800 -64.6374 -33.5483 -42.0615 -33.4193 61.6196 -2.19912 -40.6909 2.68023 17.4433 TIMING: 4693800 CPU: 15142.8, 0.00310376/step Wall: 15142.8, 0.00310376/step, 0.263992 hours remaining, 236.617188 MB of memory in use. ENERGY: 4693800 3973.1034 20446.4894 14469.0408 252.7837 -203066.0971 2242.0476 0.0000 0.0000 52187.4079 -109495.2243 299.9218 -161682.6322 -109123.2418 299.5968 -249.4785 -224.9198 760935.3455 4.8454 4.8085 PRESSURE: 4694000 -282.11 -94.5735 -88.6792 -94.5733 -250.795 175.41 -88.6788 175.411 86.5535 GPRESSURE: 4694000 -222.16 -51.2914 -119.259 -97.1183 -247.451 219.853 -130.608 200.602 113.815 PRESSAVG: 4694000 24.4578 -67.5238 -18.2133 -67.5238 -0.838683 -37.3835 -18.2133 -37.3835 -20.9514 GPRESSAVG: 4694000 24.7439 -67.2868 -17.4106 -67.2184 -1.69851 -38.1574 -17.3695 -39.1399 -20.1637 TIMING: 4694000 CPU: 15143.4, 0.00312412/step Wall: 15143.4, 0.00312412/step, 0.26555 hours remaining, 236.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4694000 3915.8141 20549.0608 14490.0884 267.4243 -203095.5804 2588.1733 0.0000 0.0000 51873.5481 -109411.4713 298.1180 -161285.0194 -109048.1188 299.6224 -148.7840 -118.5986 760924.6976 0.8892 0.9606 PRESSURE: 4694200 -201.558 -125.834 -125.351 -125.834 -122.222 -15.6546 -125.35 -15.6546 -423.414 GPRESSURE: 4694200 -157.052 -167.216 -41.404 -58.3967 -111.356 35.0685 -94.1761 -118.146 -400.863 PRESSAVG: 4694200 -32.847 -94.3875 15.5121 -94.3875 64.6726 4.93953 15.512 4.9395 23.9705 GPRESSAVG: 4694200 -34.7183 -93.1414 17.1821 -94.5295 66.1762 6.28413 16.4355 3.53735 24.7043 TIMING: 4694200 CPU: 15144, 0.00312722/step Wall: 15144, 0.00312722/step, 0.26564 hours remaining, 236.617188 MB of memory in use. ENERGY: 4694200 4046.3719 20244.5367 14572.4867 247.8733 -203117.4760 2539.3276 0.0000 0.0000 52264.4127 -109202.4671 300.3643 -161466.8798 -108832.9111 300.2146 -249.0646 -223.0903 762433.3182 18.5987 18.7207 PRESSURE: 4694400 -110.896 -0.487748 -127.335 -0.488073 -34.3253 180.709 -127.335 180.71 -48.2486 GPRESSURE: 4694400 -33.1592 -104.992 -101.066 -51.0233 -50.3357 188.899 -189.07 85.8963 -48.3769 PRESSAVG: 4694400 48.1078 -45.0795 -47.0967 -45.0795 -21.7654 0.305029 -47.0967 0.305094 26.9356 GPRESSAVG: 4694400 49.3395 -46.8772 -50.3394 -43.9479 -23.1113 0.0444425 -47.1489 0.254854 26.429 TIMING: 4694400 CPU: 15144.6, 0.00311318/step Wall: 15144.6, 0.00311318/step, 0.264274 hours remaining, 236.617188 MB of memory in use. ENERGY: 4694400 3963.1435 20615.0321 14475.0699 238.6762 -202985.0396 2469.8886 0.0000 0.0000 52167.0302 -109056.1991 299.8046 -161223.2292 -108699.1114 299.9924 -64.4900 -43.9573 762615.7143 17.7593 17.5524 PRESSURE: 4694600 -15.3916 86.0932 256.511 86.093 -58.329 -336.096 256.511 -336.096 -233.419 GPRESSURE: 4694600 -3.08789 132.388 243.977 105.452 -51.9063 -343.71 156.765 -308.027 -158.58 PRESSAVG: 4694600 50.8002 7.6821 6.68203 7.68216 -135.885 -5.83952 6.68201 -5.83949 -6.76748 GPRESSAVG: 4694600 51.2082 7.80146 8.35304 6.22901 -135.743 -7.79633 7.499 -4.84007 -6.8499 TIMING: 4694600 CPU: 15145.2, 0.00311069/step Wall: 15145.2, 0.00311069/step, 0.26389 hours remaining, 236.617188 MB of memory in use. ENERGY: 4694600 3996.1041 20470.3571 14395.3035 221.2043 -202796.3771 2371.3133 0.0000 0.0000 52316.6500 -109025.4448 300.6645 -161342.0948 -108665.6276 300.1056 -102.3800 -71.1913 762767.8230 -30.6173 -30.4614 PRESSURE: 4694800 -63.9293 -12.354 -4.90455 -12.3543 -373.387 68.2011 -4.90455 68.2018 57.5541 GPRESSURE: 4694800 -13.0639 70.5317 -100.066 -71.6441 -312.799 125.539 76.1281 115.174 31.2582 PRESSAVG: 4694800 97.6066 -20.5679 48.7116 -20.568 -68.4399 -10.6818 48.7116 -10.6819 -8.58182 GPRESSAVG: 4694800 98.4672 -20.2692 47.7892 -20.716 -69.2257 -11.0078 46.4784 -9.97901 -8.39649 TIMING: 4694800 CPU: 15145.9, 0.00312113/step Wall: 15145.9, 0.00312113/step, 0.264602 hours remaining, 236.617188 MB of memory in use. ENERGY: 4694800 3869.2365 20524.4687 14444.7672 243.8930 -202894.2474 2325.6570 0.0000 0.0000 52226.5701 -109259.6549 300.1468 -161486.2250 -108896.4304 300.3055 -126.5875 -98.2016 763292.4119 6.8616 6.9483 PRESSURE: 4695000 -137.727 41.5274 -210.126 41.5277 -219.262 102.466 -210.126 102.465 -54.4657 GPRESSURE: 4695000 -151.367 112.532 -268.573 116.294 -152.989 33.2808 -85.2253 57.5358 -22.1506 PRESSAVG: 4695000 88.6898 -2.2464 -45.4532 -2.24644 -53.7486 -25.2194 -45.4532 -25.2193 -5.79363 GPRESSAVG: 4695000 88.394 -1.24635 -46.159 -1.90432 -52.9332 -23.4727 -44.8187 -26.3222 -5.80904 TIMING: 4695000 CPU: 15146.5, 0.00311157/step Wall: 15146.5, 0.00311157/step, 0.263619 hours remaining, 236.671875 MB of memory in use. ENERGY: 4695000 4013.9327 20363.5629 14487.5500 261.8787 -203137.0345 2520.3253 0.0000 0.0000 52080.9483 -109408.8365 299.3099 -161489.7848 -109040.5462 299.6452 -137.1515 -108.8354 762003.0978 9.7158 9.8839 PRESSURE: 4695200 7.88889 -90.4151 304.611 -90.4153 -146.22 -56.0139 304.611 -56.0143 -111.418 GPRESSURE: 4695200 12.3382 -132.238 229.743 -88.5447 -76.4104 -25.8794 295.321 9.48128 -83.3559 PRESSAVG: 4695200 34.7221 0.694169 -32.5827 0.694194 -40.976 -28.4257 -32.5827 -28.4258 -8.97955 GPRESSAVG: 4695200 35.0578 0.784021 -32.3452 3.48237 -41.3754 -28.2731 -31.6404 -27.7146 -8.37065 TIMING: 4695200 CPU: 15147.1, 0.00312034/step Wall: 15147.1, 0.00312034/step, 0.264188 hours remaining, 236.671875 MB of memory in use. ENERGY: 4695200 3950.6296 20369.1605 14499.2429 242.2695 -203583.0641 2805.8805 0.0000 0.0000 52086.5838 -109629.2972 299.3423 -161715.8810 -109268.4467 299.2095 -83.2496 -49.1427 760697.7662 -5.0778 -4.8961 PRESSURE: 4695400 46.3828 -260.24 104.934 -260.24 75.805 372.706 104.935 372.707 85.7192 GPRESSURE: 4695400 143.817 -251.408 125.58 -268.475 67.2567 255.772 16.7868 323.734 98.8081 PRESSAVG: 4695400 50.2869 -78.8848 -22.0812 -78.8848 -45.0996 35.1805 -22.0811 35.1804 -9.69183 GPRESSAVG: 4695400 49.1293 -81.2115 -22.1106 -80.4191 -43.1394 35.1826 -23.4788 35.3073 -9.82588 TIMING: 4695400 CPU: 15147.7, 0.0031055/step Wall: 15147.7, 0.0031055/step, 0.26276 hours remaining, 236.671875 MB of memory in use. ENERGY: 4695400 4113.4532 20532.9479 14473.7894 262.2428 -203289.6831 2586.0654 0.0000 0.0000 51865.4016 -109455.7828 298.0712 -161321.1844 -109103.7185 298.6140 69.3024 103.2939 760671.5143 -1.5015 -1.2787 PRESSURE: 4695600 447.451 -16.2835 64.6091 -16.2838 351.7 103.959 64.6104 103.959 218.219 GPRESSURE: 4695600 488.832 40.1385 -13.482 46.4701 374.404 113.702 151.28 98.866 248.579 PRESSAVG: 4695600 52.271 -83.32 19.4273 -83.3201 -39.1025 -0.749651 19.4273 -0.749587 -15.2991 GPRESSAVG: 4695600 53.338 -82.9154 20.8862 -83.1285 -38.9989 -0.544318 21.2771 -1.88561 -15.797 TIMING: 4695600 CPU: 15148.4, 0.00312259/step Wall: 15148.4, 0.00312259/step, 0.264032 hours remaining, 236.671875 MB of memory in use. ENERGY: 4695600 3984.8968 20473.6343 14416.6775 254.1025 -203359.6508 2595.0180 0.0000 0.0000 51989.8431 -109645.4785 298.7863 -161635.3216 -109277.7430 299.0389 339.1233 370.6048 759165.9920 -0.7102 -0.4860 PRESSURE: 4695800 28.9694 -37.356 85.0892 -37.3561 180.07 -287.902 85.0894 -287.903 173.585 GPRESSURE: 4695800 130.345 -64.8585 82.2547 -63.8321 134.756 -268.827 91.3053 -207.097 210.906 PRESSAVG: 4695800 -19.5002 -23.9606 -28.3613 -23.9605 -35.6631 -45.9912 -28.3613 -45.9912 28.7902 GPRESSAVG: 4695800 -18.0446 -23.158 -29.7523 -23.0551 -37.299 -46.3444 -29.0189 -44.5789 28.7448 TIMING: 4695800 CPU: 15149, 0.00310613/step Wall: 15149, 0.00310613/step, 0.262468 hours remaining, 236.671875 MB of memory in use. ENERGY: 4695800 4000.8087 20466.3965 14431.5748 250.8559 -203128.7891 2553.8839 0.0000 0.0000 52029.4367 -109395.8327 299.0139 -161425.2694 -109040.8213 299.2038 127.5414 158.6687 760917.9121 -8.7910 -8.8663 PRESSURE: 4696000 227.189 -127.111 -150.927 -127.112 267.241 23.9601 -150.927 23.9603 150.999 GPRESSURE: 4696000 295.141 18.761 -127.739 -112.766 245.776 60.4385 -97.4927 55.6895 181.535 PRESSAVG: 4696000 17.6704 -40.2728 -13.3498 -40.2728 -24.7088 6.49719 -13.3498 6.49719 -3.17657 GPRESSAVG: 4696000 16.784 -39.7704 -13.884 -39.5503 -23.6577 8.35393 -12.7008 6.00568 -3.16527 TIMING: 4696000 CPU: 15149.6, 0.00311352/step Wall: 15149.6, 0.00311352/step, 0.262919 hours remaining, 236.671875 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: 4696000 4009.1997 20400.0163 14511.4458 270.6285 -203417.5535 2641.6630 0.0000 0.0000 52128.2317 -109456.3685 299.5817 -161584.6002 -109090.5790 299.3959 215.1431 240.8175 761751.9858 -3.4050 -3.3463 PRESSURE: 4696200 87.0455 223.68 -25.2275 223.678 -306.45 -371.063 -25.2276 -371.064 110.25 GPRESSURE: 4696200 48.6564 108.743 -42.8889 110.837 -187.711 -337.593 -23.5835 -205.59 115.936 PRESSAVG: 4696200 56.046 -26.2493 -37.0111 -26.2493 -78.1969 -42.3683 -37.0111 -42.3683 -18.375 GPRESSAVG: 4696200 55.7081 -27.1492 -36.1785 -28.8788 -77.7588 -42.7901 -38.4653 -42.9756 -18.6917 TIMING: 4696200 CPU: 15150.2, 0.0031175/step Wall: 15150.2, 0.0031175/step, 0.263082 hours remaining, 236.671875 MB of memory in use. ENERGY: 4696200 3968.3780 20522.0264 14507.1603 232.7685 -203342.5469 2697.6998 0.0000 0.0000 52051.5684 -109362.9454 299.1411 -161414.5138 -109014.0914 299.1142 -36.3848 -7.7062 759960.9214 -13.5086 -13.5808 LDB: ============= START OF LOAD BALANCING ============== 15162.6 LDB: ============== END OF LOAD BALANCING =============== 15162.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15162.7 LDB: ============= START OF LOAD BALANCING ============== 15163 LDB: Largest compute 7037 load 0.032239 is 16.5% of average load 0.195739 LDB: Average compute 0.004373 is 2.2% of average load 0.195739 LDB: TIME 15163 LOAD: AVG 0.195739 MAX 0.213551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 15163 LOAD: AVG 0.195739 MAX 0.213551 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 15163 LOAD: AVG 0.195739 MAX 0.213551 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 15163 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15163 PRESSURE: 4696400 33.9493 -106.643 -26.7064 -106.643 122.676 144.762 -26.7057 144.761 -9.1013 GPRESSURE: 4696400 22.436 -66.9492 -135.747 -151.187 82.5333 138.017 -17.1584 172.552 120.513 PRESSAVG: 4696400 49.9434 -69.9112 -57.1033 -69.9112 -72.8254 1.4095 -57.1032 1.40955 -10.7558 GPRESSAVG: 4696400 50.9351 -70.766 -56.4443 -69.5391 -74.0882 -0.43135 -55.8965 2.05937 -10.5146 TIMING: 4696400 CPU: 15150.9, 0.00317749/step Wall: 15150.9, 0.00317749/step, 0.267968 hours remaining, 236.937500 MB of memory in use. ENERGY: 4696400 4042.9856 20543.7712 14514.0824 243.4593 -202920.4598 2520.7327 0.0000 0.0000 51825.0823 -109230.3463 297.8395 -161055.4286 -108870.7928 299.3810 49.1746 75.1608 761370.1784 -11.2126 -11.2226 PRESSURE: 4696600 27.4385 212.255 -83.3459 212.254 -217.666 65.503 -83.3466 65.504 -163.836 GPRESSURE: 4696600 145.453 169.957 -43.7219 66.1592 -309.402 53.6619 -112.771 42.7276 -98.8086 PRESSAVG: 4696600 36.4549 -2.1153 -30.5945 -2.11536 -8.45014 -15.8213 -30.5945 -15.8213 -0.0392955 GPRESSAVG: 4696600 37.018 -1.90331 -30.482 -1.42713 -7.81769 -14.7872 -32.966 -14.5065 -0.603244 TIMING: 4696600 CPU: 15151.5, 0.00312428/step Wall: 15151.5, 0.00312428/step, 0.263307 hours remaining, 236.937500 MB of memory in use. ENERGY: 4696600 4006.8565 20612.8675 14428.9408 266.8312 -202981.5086 2332.8023 0.0000 0.0000 52092.0935 -109241.1168 299.3740 -161333.2103 -108884.7776 299.7259 -118.0212 -87.5859 762876.3732 9.3218 9.5324 PRESSURE: 4696800 116.698 -175.608 -43.995 -175.608 277.146 8.74634 -43.9954 8.74635 262 GPRESSURE: 4696800 133.859 -219.114 -170.643 -2.30891 323.691 51.8497 71.2821 51.5827 270.078 PRESSAVG: 4696800 40.2723 -45.9764 -42.7781 -45.9763 -20.8951 -55.2991 -42.7781 -55.2992 -13.3641 GPRESSAVG: 4696800 38.803 -46.1485 -44.4894 -46.6783 -20.6885 -55.6688 -40.5066 -56.1749 -11.871 TIMING: 4696800 CPU: 15152.1, 0.00311318/step Wall: 15152.1, 0.00311318/step, 0.262199 hours remaining, 236.937500 MB of memory in use. ENERGY: 4696800 4011.1089 20432.8402 14467.3310 256.4986 -203486.7328 2770.8876 0.0000 0.0000 52271.0672 -109276.9994 300.4025 -161548.0665 -108901.2861 299.5381 218.6147 242.5428 759308.5948 2.0044 2.0812 PRESSURE: 4697000 -482.933 26.3177 -234.534 26.3179 -230.785 3.54079 -234.534 3.54147 -335.378 GPRESSURE: 4697000 -481.867 -0.0367672 -144.006 21.1498 -221.524 9.02903 -173.995 90.1488 -256.082 PRESSAVG: 4697000 2.49097 -24.815 -8.03747 -24.8149 -11.3401 -44.6037 -8.03751 -44.6037 -24.8719 GPRESSAVG: 4697000 3.91499 -25.3558 -7.71046 -26.2132 -11.8226 -45.4748 -8.51781 -44.7158 -25.945 TIMING: 4697000 CPU: 15152.7, 0.00311691/step Wall: 15152.7, 0.00311691/step, 0.26234 hours remaining, 236.937500 MB of memory in use. ENERGY: 4697000 4037.8171 20516.9999 14497.2455 252.9452 -203159.7592 2413.4450 0.0000 0.0000 52248.4779 -109192.8286 300.2727 -161441.3065 -108825.6787 299.5454 -349.6985 -319.8244 761719.5846 -11.2403 -11.2842 PRESSURE: 4697200 -186.144 74.711 169.124 74.7115 136.273 -39.5978 169.124 -39.5981 300.635 GPRESSURE: 4697200 -247.187 139.672 255.482 -54.9036 254.053 -51.7521 202.109 -93.8006 316.286 PRESSAVG: 4697200 45.1299 17.6223 -11.9738 17.6223 9.43731 -30.8529 -11.9738 -30.8529 11.2831 GPRESSAVG: 4697200 44.2404 18.5615 -11.3996 18.8545 9.64699 -29.2902 -9.62556 -31.6815 12.1651 TIMING: 4697200 CPU: 15153.4, 0.00311989/step Wall: 15153.4, 0.00311989/step, 0.262417 hours remaining, 237.007812 MB of memory in use. ENERGY: 4697200 3951.8074 20373.5405 14442.2920 263.4789 -203255.1200 2562.0954 0.0000 0.0000 52254.8412 -109407.0645 300.3093 -161661.9057 -109042.4385 299.8371 83.5880 107.7173 761937.6100 21.9501 22.0175 PRESSURE: 4697400 -227.609 -117.259 52.6931 -117.259 -142.137 -79.0829 52.6919 -79.0827 178.496 GPRESSURE: 4697400 -182.506 -116.997 11.9093 -99.3302 -86.6823 -23.6083 73.7518 -17.7503 179.931 PRESSAVG: 4697400 6.42182 -27.6506 13.6962 -27.6506 -13.0094 -10.6767 13.6961 -10.6767 12.7487 GPRESSAVG: 4697400 6.56574 -28.5802 14.2565 -29.2369 -12.1541 -10.85 10.9737 -9.25723 12.6559 TIMING: 4697400 CPU: 15154, 0.00312097/step Wall: 15154, 0.00312097/step, 0.262335 hours remaining, 237.007812 MB of memory in use. ENERGY: 4697400 4018.4736 20299.8874 14435.5994 240.4002 -203366.9701 2711.9126 0.0000 0.0000 51880.5992 -109780.0977 298.1585 -161660.6969 -109420.0836 299.2614 -63.7501 -29.7524 760294.7140 2.0537 2.3558 PRESSURE: 4697600 235.795 -128.049 169.42 -128.049 -114.791 -237.716 169.42 -237.715 84.8321 GPRESSURE: 4697600 358.58 -177.892 224.402 50.1895 -117.307 -239.566 196.402 -316.47 54.8244 PRESSAVG: 4697600 29.6871 -42.3297 64.294 -42.3296 -22.4331 -10.465 64.294 -10.4649 2.41787 GPRESSAVG: 4697600 29.8942 -42.5191 63.5099 -40.662 -22.6767 -10.9288 63.4964 -11.506 2.49574 TIMING: 4697600 CPU: 15154.6, 0.00313225/step Wall: 15154.6, 0.00313225/step, 0.263109 hours remaining, 237.007812 MB of memory in use. ENERGY: 4697600 3991.1562 20383.3318 14408.2717 252.9556 -203445.5007 2654.9321 0.0000 0.0000 52208.5743 -109546.2789 300.0434 -161754.8533 -109179.9775 298.8011 68.6121 98.6990 760210.0195 3.2240 3.2377 PRESSURE: 4697800 -29.5437 116.188 183.388 116.188 -267.565 -45.7347 183.388 -45.7341 259.993 GPRESSURE: 4697800 20.1289 131.028 200.371 201.758 -134.895 -58.9842 108.284 -73.8439 161.437 PRESSAVG: 4697800 9.43378 9.58701 -18.0495 9.58706 -10.3655 -1.03751 -18.0494 -1.03751 18.5015 GPRESSAVG: 4697800 9.51407 10.9879 -16.9624 9.43409 -9.86014 0.200974 -17.6525 -2.39655 18.0786 TIMING: 4697800 CPU: 15155.2, 0.00311916/step Wall: 15155.2, 0.00311916/step, 0.261836 hours remaining, 237.007812 MB of memory in use. ENERGY: 4697800 3993.1847 20261.5295 14437.5342 264.1852 -203103.9571 2270.7155 0.0000 0.0000 52202.2099 -109674.5982 300.0068 -161876.8081 -109305.5160 298.8919 -12.3718 15.5572 759868.0179 5.8566 5.9108 PRESSURE: 4698000 339.245 17.3018 -242.763 17.3018 137.027 305.678 -242.762 305.679 283.42 GPRESSURE: 4698000 370.313 49.6488 -152.231 50.2104 161.998 245.14 -245.279 270.392 301.431 PRESSAVG: 4698000 -30.0974 -33.8786 -24.4989 -33.8786 16.4157 8.66509 -24.4989 8.66505 -16.4316 GPRESSAVG: 4698000 -30.6144 -34.3418 -24.9412 -33.6111 16.3818 6.19093 -24.5849 11.1879 -15.8919 TIMING: 4698000 CPU: 15155.9, 0.00311674/step Wall: 15155.9, 0.00311674/step, 0.26146 hours remaining, 237.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4698000 4026.7298 20447.1938 14454.7520 240.1544 -203616.9240 2701.8703 0.0000 0.0000 51884.7880 -109861.4357 298.1826 -161746.2237 -109498.0775 298.6064 253.2309 277.9142 758804.7415 -10.0378 -10.0415 PRESSURE: 4698200 243.802 203.057 -261.025 203.057 197.304 -35.0155 -261.024 -35.0157 109.773 GPRESSURE: 4698200 295.047 103.464 -261.716 197.21 207.893 -23.8412 -228.391 -13.5592 114.022 PRESSAVG: 4698200 22.6015 25.6725 9.45554 25.6725 -15.6788 16.0525 9.45561 16.0525 29.7122 GPRESSAVG: 4698200 23.2107 24.6269 9.19992 26.102 -16.4858 18.2069 10.3288 14.1918 29.9877 TIMING: 4698200 CPU: 15156.5, 0.00309862/step Wall: 15156.5, 0.00309862/step, 0.259768 hours remaining, 237.007812 MB of memory in use. ENERGY: 4698200 3948.0722 20436.6314 14444.6509 233.5859 -203929.2732 2937.8287 0.0000 0.0000 52109.8579 -109818.6462 299.4761 -161928.5041 -109454.5913 298.6580 183.6265 205.6539 760131.5280 12.2116 12.2375 PRESSURE: 4698400 -6.44974 97.9988 -180.759 97.9987 -116.931 215.546 -180.76 215.546 -257.563 GPRESSURE: 4698400 26.3685 60.331 -218.449 28.7612 -69.491 265.5 -51.2605 189.75 -250 PRESSAVG: 4698400 67.1795 3.81147 -30.9634 3.81147 -70.9275 8.90971 -30.9634 8.90977 -2.20254 GPRESSAVG: 4698400 65.8074 4.17043 -29.6208 4.55741 -69.2779 8.49245 -29.0702 8.69845 -2.16349 TIMING: 4698400 CPU: 15157.1, 0.00312406/step Wall: 15157.1, 0.00312406/step, 0.261727 hours remaining, 237.007812 MB of memory in use. ENERGY: 4698400 4026.9455 20388.3945 14454.0723 242.7763 -203511.2629 2565.9241 0.0000 0.0000 52044.1977 -109788.9524 299.0987 -161833.1502 -109432.7034 298.9177 -126.9813 -97.7075 760537.0870 -1.9835 -1.8780 PRESSURE: 4698600 205.3 -255.399 -156.472 -255.4 193.06 112.422 -156.473 112.423 -63.3923 GPRESSURE: 4698600 264.182 -185.531 -283.488 -156.253 93.7269 97.333 -175.907 76.7603 64.1141 PRESSAVG: 4698600 5.73642 -28.8577 -37.9761 -28.8578 24.4269 85.2463 -37.9761 85.2462 -1.10316 GPRESSAVG: 4698600 6.38223 -27.9934 -38.7271 -31.0412 24.1579 84.9397 -39.5435 87.5375 -1.5921 TIMING: 4698600 CPU: 15157.7, 0.0031091/step Wall: 15157.7, 0.0031091/step, 0.2603 hours remaining, 237.007812 MB of memory in use. ENERGY: 4698600 3978.3021 20420.7294 14457.4001 241.4690 -203672.7175 2641.6512 0.0000 0.0000 52259.6867 -109673.4790 300.3371 -161933.1657 -109304.2796 298.8126 111.6561 140.6744 758865.9377 9.6867 9.6493 PRESSURE: 4698800 -221.954 173.076 121.113 173.075 -291.244 2.08093 121.115 2.08182 -321.951 GPRESSURE: 4698800 -171.018 219.97 149.236 191.411 -300.072 24.0066 166.949 93.6504 -303.562 PRESSAVG: 4698800 29.9224 -66.4059 -45.7355 -66.406 23.9746 26.4437 -45.7355 26.4437 22.2317 GPRESSAVG: 4698800 30.9328 -66.8478 -45.9172 -66.5432 22.5144 27.0511 -43.7566 23.7123 22.4972 TIMING: 4698800 CPU: 15158.3, 0.00309863/step Wall: 15158.3, 0.00309863/step, 0.259252 hours remaining, 237.007812 MB of memory in use. ENERGY: 4698800 3920.6492 20532.9647 14420.3219 243.7250 -203316.2885 2418.7730 0.0000 0.0000 51920.3978 -109859.4569 298.3872 -161779.8547 -109487.3619 299.1451 -278.3829 -258.2175 759180.6493 25.3762 25.3148 PRESSURE: 4699000 381.012 0.0368924 101.722 0.0363315 -461.151 -13.5435 101.722 -13.5424 265.672 GPRESSURE: 4699000 368.101 -18.16 119.876 -102.71 -299.83 2.82616 75.0312 9.99876 180.556 PRESSAVG: 4699000 14.2 -22.0025 9.14766 -22.0026 -44.8263 66.0525 9.1476 66.0526 1.90186 GPRESSAVG: 4699000 12.8047 -20.5334 7.8068 -21.1394 -42.9573 66.6937 6.75098 67.3002 1.96639 TIMING: 4699000 CPU: 15159, 0.00311024/step Wall: 15159, 0.00311024/step, 0.26005 hours remaining, 237.007812 MB of memory in use. ENERGY: 4699000 3974.6815 20635.4110 14473.8966 249.2488 -203554.3792 2407.3475 0.0000 0.0000 51957.5659 -109856.2279 298.6008 -161813.7938 -109497.6653 298.5054 61.8444 82.9425 758952.9489 -9.5748 -9.3954 PRESSURE: 4699200 -328.867 -91.8204 -141.357 -91.8206 177.057 -138.109 -141.357 -138.109 -399.836 GPRESSURE: 4699200 -188.261 -47.8963 -162.461 37.7727 119.361 -138.384 -10.0988 -158.817 -399.824 PRESSAVG: 4699200 -0.661926 -10.1016 20.4215 -10.1016 4.85926 8.0411 20.4215 8.0411 5.72618 GPRESSAVG: 4699200 0.00234415 -12.4296 20.1747 -8.82275 4.62816 6.29573 19.8677 8.9608 5.37483 TIMING: 4699200 CPU: 15159.6, 0.00310864/step Wall: 15159.6, 0.00310864/step, 0.259744 hours remaining, 237.007812 MB of memory in use. ENERGY: 4699200 4025.5071 20468.3093 14457.8067 257.6449 -203197.8995 2167.0643 0.0000 0.0000 52116.1579 -109705.4093 299.5123 -161821.5672 -109341.8065 299.1764 -183.8821 -156.2412 759032.3134 3.3078 3.3351 PRESSURE: 4699400 114.382 -66.9772 305.265 -66.9773 -294.21 -39.852 305.266 -39.8512 -220.169 GPRESSURE: 4699400 111.511 -38.1226 355.117 -130.278 -180.834 -27.4673 303.751 -137.314 -248.775 PRESSAVG: 4699400 -14.4879 -36.6032 16.3572 -36.6031 -24.6153 -25.4553 16.3572 -25.4553 8.45941 GPRESSAVG: 4699400 -13.9692 -36.6521 16.4168 -37.5256 -25.5878 -24.7417 16.5664 -27.7034 8.75571 TIMING: 4699400 CPU: 15160.2, 0.00313553/step Wall: 15160.2, 0.00313553/step, 0.261816 hours remaining, 237.007812 MB of memory in use. ENERGY: 4699400 3902.4430 20506.5465 14487.5425 240.6202 -203207.3786 2201.9607 0.0000 0.0000 52095.3397 -109772.9260 299.3926 -161868.2657 -109404.8442 298.9410 -133.3323 -106.0327 759920.5572 -10.2146 -10.2671 PRESSURE: 4699600 278.611 -78.7127 101.557 -78.7126 97.2356 -42.19 101.557 -42.1904 177.422 GPRESSURE: 4699600 282.711 -159.085 136.354 -20.8516 164.972 -19.7338 14.5015 -19.2803 182.258 PRESSAVG: 4699600 18.3365 -22.0046 12.2886 -22.0045 -22.1038 13.5956 12.2887 13.5957 9.15992 GPRESSAVG: 4699600 20.4508 -20.9473 13.7927 -24.1967 -22.246 12.4703 10.7239 15.7535 7.52027 TIMING: 4699600 CPU: 15160.8, 0.00311367/step Wall: 15160.8, 0.00311367/step, 0.259819 hours remaining, 237.007812 MB of memory in use. ENERGY: 4699600 4055.3691 20315.4475 14467.4062 222.5459 -203565.7436 2495.1482 0.0000 0.0000 52082.9273 -109926.8994 299.3213 -162009.8267 -109563.2009 298.7191 184.4227 209.9807 760437.8953 1.7975 1.9083 PRESSURE: 4699800 -229.482 36.9698 187.714 36.9684 251.213 -15.8924 187.715 -15.8926 420.719 GPRESSURE: 4699800 -65.7747 49.3527 182.447 -15.5965 177.007 23.1463 240.217 -35.2921 410.156 PRESSAVG: 4699800 19.4861 5.57728 27.5205 5.57726 -0.684255 10.4402 27.5205 10.4401 3.55436 GPRESSAVG: 4699800 18.4848 4.54131 27.9227 8.38706 -1.75664 12.8376 25.8531 9.13694 5.65165 TIMING: 4699800 CPU: 15161.5, 0.00312439/step Wall: 15161.5, 0.00312439/step, 0.260539 hours remaining, 237.007812 MB of memory in use. ENERGY: 4699800 3951.2867 20460.8997 14395.4504 239.5090 -203766.5607 2855.9322 0.0000 0.0000 51970.7496 -109892.7331 298.6766 -161863.4827 -109516.8338 298.5270 147.4836 173.7960 761524.3662 7.4521 7.4599 PRESSURE: 4700000 255.353 262.772 -214.769 262.771 142.066 196.841 -214.769 196.841 198.359 GPRESSURE: 4700000 200.188 84.7671 -137.876 225.133 218.761 123.2 -95.7749 177.986 267.134 PRESSAVG: 4700000 -15.1871 27.3238 -5.05908 27.3238 -6.18149 54.2061 -5.05909 54.2061 21.3519 GPRESSAVG: 4700000 -16.0255 27.6418 -4.83105 26.2021 -4.85513 53.0386 -2.2182 53.4082 21.0644 TIMING: 4700000 CPU: 15162.1, 0.00312956/step Wall: 15162.1, 0.00312956/step, 0.260797 hours remaining, 237.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4700000 4021.4726 20664.0088 14427.3585 236.9654 -204139.7191 3101.5864 0.0000 0.0000 51843.7923 -109844.5351 297.9470 -161688.3274 -109488.5346 298.4786 198.5928 228.6944 760088.4054 -0.0056 0.0612 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.4.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 -165.134 -30.6758 -189.543 -30.676 -29.4168 196.907 -189.542 196.905 256.816 GPRESSURE: 4700200 -81.7954 95.3797 -236.778 -57.112 -59.4596 259.104 -137.202 131.114 273.759 PRESSAVG: 4700200 -8.43291 7.21915 -12.878 7.21911 -1.02137 14.8376 -12.878 14.8375 11.2184 GPRESSAVG: 4700200 -6.82503 6.05993 -15.1204 7.39564 -1.76747 13.8782 -12.3642 17.7763 10.472 TIMING: 4700200 CPU: 15162.7, 0.00327171/step Wall: 15162.7, 0.00327171/step, 0.27246 hours remaining, 237.007812 MB of memory in use. ENERGY: 4700200 3959.1026 20519.1366 14419.9293 236.5007 -203480.4887 2370.7041 0.0000 0.0000 51861.3960 -110113.7194 298.0482 -161975.1154 -109750.8995 298.4651 20.7552 44.1681 760225.7260 0.5880 0.6265 LDB: ============= START OF LOAD BALANCING ============== 15175.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15175.2 LDB: =============== DONE WITH MIGRATION ================ 15175.2 LDB: ============= START OF LOAD BALANCING ============== 15175.5 LDB: Largest compute 7037 load 0.031617 is 16.2% of average load 0.195606 LDB: Average compute 0.004376 is 2.2% of average load 0.195606 LDB: TIME 15175.5 LOAD: AVG 0.195606 MAX 0.21402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.547 MB LDB: TIME 15175.5 LOAD: AVG 0.195606 MAX 0.21402 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: TIME 15175.5 LOAD: AVG 0.195606 MAX 0.21402 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: ============== END OF LOAD BALANCING =============== 15175.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15175.5 PRESSURE: 4700400 224.326 -2.48175 300.106 -2.48265 -159.113 80.575 300.106 80.5738 -162.785 GPRESSURE: 4700400 253.017 -127.649 297.358 35.2519 -170.843 -16.204 238.279 21.0164 -119.12 PRESSAVG: 4700400 -11.3217 39.4411 10.9577 39.4411 13.7032 4.53946 10.9578 4.53947 -7.91252 GPRESSAVG: 4700400 -13.5532 40.8005 10.9004 41.6079 14.1326 4.56002 9.02755 2.29729 -6.47404 TIMING: 4700400 CPU: 15163.4, 0.00316619/step Wall: 15163.4, 0.00316619/step, 0.263498 hours remaining, 236.417969 MB of memory in use. ENERGY: 4700400 3961.3691 20297.3574 14492.4239 253.8055 -203353.9595 2513.1578 0.0000 0.0000 51866.0031 -109969.8426 298.0746 -161835.8457 -109610.6872 297.6300 -32.5240 -12.3155 761082.2320 -1.8437 -1.9649 PRESSURE: 4700600 -181.432 -35.5332 18.9672 -35.5331 103.859 -82.5005 18.9687 -82.4998 277.978 GPRESSURE: 4700600 -55.4076 -5.96612 104.372 141.672 69.0674 -145.237 102.107 -86.326 269.746 PRESSAVG: 4700600 17.1603 44.8914 12.1651 44.8914 0.090431 34.1244 12.1651 34.1244 23.8874 GPRESSAVG: 4700600 18.2398 45.9033 13.986 43.5563 -0.168521 33.5763 14.8368 34.8358 23.1981 TIMING: 4700600 CPU: 15164, 0.00311486/step Wall: 15164, 0.00311486/step, 0.259052 hours remaining, 236.621094 MB of memory in use. ENERGY: 4700600 4015.2372 20242.4943 14522.8306 226.9372 -203600.5511 2541.0588 0.0000 0.0000 52126.0434 -109925.9496 299.5691 -162051.9930 -109564.0871 298.7657 66.8013 94.4686 760051.0281 13.7127 13.7565 PRESSURE: 4700800 389.478 -90.2534 131.096 -90.2531 -4.77928 -133.074 131.095 -133.074 -28.6916 GPRESSURE: 4700800 402.015 -244.627 171.054 -85.321 7.96355 -144.157 67.1043 -96.8587 30.2285 PRESSAVG: 4700800 51.5561 -41.751 4.95628 -41.751 -23.9163 -1.71838 4.95625 -1.71837 -2.24435 GPRESSAVG: 4700800 50.2692 -44.0121 2.93828 -43.3887 -23.3231 -0.766452 3.74441 -1.29266 -2.00231 TIMING: 4700800 CPU: 15164.6, 0.00314691/step Wall: 15164.6, 0.00314691/step, 0.261543 hours remaining, 236.621094 MB of memory in use. ENERGY: 4700800 3947.2890 20478.0665 14477.4258 253.2570 -203885.0392 2814.4018 0.0000 0.0000 51850.6246 -110063.9745 297.9863 -161914.5991 -109705.4254 298.3218 118.6689 146.7357 760333.3144 8.4652 8.3146 PRESSURE: 4701000 309.106 -207.046 135.829 -207.047 -84.0729 -8.55211 135.83 -8.55239 -130.762 GPRESSURE: 4701000 287.866 -92.5127 190.81 -110.457 -71.7325 -101.54 29.1491 -30.4349 -43.387 PRESSAVG: 4701000 -4.57261 -4.17153 -6.26189 -4.1715 -2.00596 25.7714 -6.26193 25.7714 -5.43663 GPRESSAVG: 4701000 -3.65753 -1.77116 -5.33667 -3.84438 -2.2025 27.3195 -6.13604 22.6686 -6.36377 TIMING: 4701000 CPU: 15165.3, 0.00310913/step Wall: 15165.3, 0.00310913/step, 0.25823 hours remaining, 236.621094 MB of memory in use. ENERGY: 4701000 3987.1269 20462.4608 14543.8172 222.8560 -203645.3194 2724.3456 0.0000 0.0000 51782.5021 -109922.2108 297.5948 -161704.7129 -109561.4932 298.3568 31.4240 57.5823 760032.7394 -4.0051 -4.0746 PRESSURE: 4701200 -181.509 241.668 -130.921 241.669 -359.463 -178.005 -130.922 -178.005 -90.5831 GPRESSURE: 4701200 -225.292 199.53 -207.686 300.653 -292.157 -165.156 -125.244 -218.021 -33.7387 PRESSAVG: 4701200 20.7116 -25.066 8.22327 -25.066 -28.9492 21.9491 8.22324 21.9492 -4.03064 GPRESSAVG: 4701200 21.0812 -25.7699 9.41119 -22.9141 -28.9577 20.7561 5.73686 24.3971 -3.87026 TIMING: 4701200 CPU: 15165.9, 0.00312448/step Wall: 15165.9, 0.00312448/step, 0.259332 hours remaining, 236.878906 MB of memory in use. ENERGY: 4701200 3972.4181 20579.7792 14447.5217 235.0903 -203839.4533 2637.9649 0.0000 0.0000 52088.0098 -109878.6693 299.3505 -161966.6791 -109513.1524 298.6267 -210.5184 -183.7292 761345.6658 -4.0894 -3.9156 PRESSURE: 4701400 -9.30289 118.569 60.6179 118.569 188.103 -238.173 60.6181 -238.173 127.02 GPRESSURE: 4701400 87.5707 30.2293 51.4471 181.24 237.365 -300.229 175.666 -205.729 82.8366 PRESSAVG: 4701400 -12.3493 21.7687 -24.3362 21.7687 -17.7956 11.9823 -24.3362 11.9823 -29.395 GPRESSAVG: 4701400 -13.4089 20.7161 -24.7746 22.2339 -16.5568 12.6066 -21.1302 11.4376 -29.3782 TIMING: 4701400 CPU: 15166.5, 0.00311386/step Wall: 15166.5, 0.00311386/step, 0.258278 hours remaining, 236.878906 MB of memory in use. ENERGY: 4701400 4002.0260 20444.1144 14554.3526 249.0650 -203657.6414 2541.3674 0.0000 0.0000 51877.6859 -109989.0301 298.1418 -161866.7160 -109630.7511 298.7556 101.9401 135.9241 760281.3150 -19.8466 -19.7813 PRESSURE: 4701600 -323.666 22.6878 -64.3075 22.6877 85.5498 49.0737 -64.3083 49.0738 -8.19765 GPRESSURE: 4701600 -291.183 59.9583 -84.7348 5.81633 111.725 136.547 -161.581 79.6519 16.069 PRESSAVG: 4701600 76.7015 -53.7175 -51.1197 -53.7174 -63.3657 78.4581 -51.1197 78.4582 10.5916 GPRESSAVG: 4701600 75.9047 -51.1622 -52.4452 -54.9702 -64.1405 78.0195 -50.9727 77.5696 11.2775 TIMING: 4701600 CPU: 15167.1, 0.00313336/step Wall: 15167.1, 0.00313336/step, 0.259721 hours remaining, 236.878906 MB of memory in use. ENERGY: 4701600 3939.5970 20414.5126 14463.5659 234.6689 -203273.2930 2323.8100 0.0000 0.0000 51864.8626 -110032.2760 298.0681 -161897.1387 -109679.3608 298.1660 -82.1045 -54.4630 759506.2866 7.9758 7.6806 PRESSURE: 4701800 229.554 -120.753 107.517 -120.753 -177.485 101.586 107.517 101.585 -6.04702 GPRESSURE: 4701800 230.115 -120.925 69.9032 -194.747 -116.106 93.5517 31.9356 141.027 -0.0566469 PRESSAVG: 4701800 38.4517 -10.7047 -29.6445 -10.7048 -24.6212 13.451 -29.6445 13.451 1.61601 GPRESSAVG: 4701800 39.3461 -11.9247 -27.9016 -11.991 -24.9747 12.6876 -31.3074 14.7227 1.03443 TIMING: 4701800 CPU: 15167.8, 0.00311444/step Wall: 15167.8, 0.00311444/step, 0.25798 hours remaining, 236.878906 MB of memory in use. ENERGY: 4701800 3974.5739 20384.2635 14496.4430 255.8976 -203486.2777 2542.1310 0.0000 0.0000 51720.6813 -110112.2874 297.2395 -161832.9688 -109748.3179 297.8101 15.3405 37.9844 762042.3047 5.1488 5.1353 PRESSURE: 4702000 -399.557 86.3734 23.4512 86.3737 -502.668 149.842 23.4515 149.842 -0.160484 GPRESSURE: 4702000 -351.871 24.2658 -15.9056 99.2283 -430.629 136.969 -13.8607 141.049 -53.2699 PRESSAVG: 4702000 24.4034 2.13294 -74.3007 2.13294 -13.2333 -5.49581 -74.3007 -5.49581 5.72206 GPRESSAVG: 4702000 24.7033 1.97095 -76.4475 3.30543 -13.9173 -6.01948 -72.6537 -5.70782 6.32613 TIMING: 4702000 CPU: 15168.4, 0.00309243/step Wall: 15168.4, 0.00309243/step, 0.255984 hours remaining, 236.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4702000 4015.9021 20355.7778 14568.2949 257.2844 -203061.9684 2230.8121 0.0000 0.0000 51718.0030 -109915.8940 297.2241 -161633.8970 -109558.4286 297.5584 -300.7951 -278.5900 761048.7127 5.6307 5.7040 PRESSURE: 4702200 -200.81 -173.412 -73.4016 -173.412 136.205 55.4268 -73.4029 55.4277 -149.43 GPRESSURE: 4702200 -111.346 -185.433 -21.7736 -174.256 135.497 45.5731 48.7385 -51.5857 -162.275 PRESSAVG: 4702200 -52.3814 -45.8635 -53.8347 -45.8636 58.5985 -28.5539 -53.8346 -28.5539 -12.7482 GPRESSAVG: 4702200 -52.4118 -46.7393 -53.0082 -47.3712 59.3437 -27.4425 -55.2702 -28.2336 -13.8829 TIMING: 4702200 CPU: 15169, 0.00308666/step Wall: 15169, 0.00308666/step, 0.255335 hours remaining, 236.878906 MB of memory in use. ENERGY: 4702200 4008.8392 20462.5272 14469.1323 247.6762 -203136.0271 2578.9452 0.0000 0.0000 51615.0545 -109753.8526 296.6324 -161368.9070 -109395.3620 298.5523 -71.3448 -46.0411 762050.5803 -2.1770 -2.3170 PRESSURE: 4702400 -91.6919 181.524 206.333 181.523 -307.22 -208.068 206.333 -208.069 -122.274 GPRESSURE: 4702400 -146.077 176.925 204.081 157.167 -263.969 -181.847 151.564 -109.121 -15.5258 PRESSAVG: 4702400 20.0134 -62.9608 26.5814 -62.9608 -9.71409 -83.5234 26.5814 -83.5233 -20.0009 GPRESSAVG: 4702400 19.5698 -62.887 28.3168 -61.364 -9.86212 -84.2754 25.9053 -82.6477 -18.975 TIMING: 4702400 CPU: 15169.6, 0.00311714/step Wall: 15169.6, 0.00311714/step, 0.257683 hours remaining, 236.878906 MB of memory in use. ENERGY: 4702400 3991.3185 20455.6947 14488.1979 257.3795 -203393.7637 2460.7180 0.0000 0.0000 51810.8954 -109929.5597 297.7579 -161740.4551 -109568.5699 298.2320 -173.7287 -141.8574 761627.8935 -3.2338 -3.0891 PRESSURE: 4702600 278.172 -36.7241 101.443 -36.7242 98.4017 9.50459 101.444 9.50476 82.5467 GPRESSURE: 4702600 278.459 116.714 22.415 -2.85852 181.58 -10.6227 108.09 167.19 78.6586 PRESSAVG: 4702600 -5.06601 -49.5909 -25.2065 -49.5909 20.5665 4.78198 -25.2065 4.78198 -10.1715 GPRESSAVG: 4702600 -4.30861 -48.2007 -26.0184 -48.6426 21.0818 5.83744 -25.6154 5.74279 -10.7261 TIMING: 4702600 CPU: 15170.2, 0.00313283/step Wall: 15170.2, 0.00313283/step, 0.258806 hours remaining, 236.878906 MB of memory in use. ENERGY: 4702600 3974.9438 20419.9332 14467.3875 259.9979 -204016.7033 2856.4286 0.0000 0.0000 52066.2625 -109971.7497 299.2255 -162038.0122 -109619.0910 298.3211 153.0402 179.5659 758623.0003 1.7763 2.0157 PRESSURE: 4702800 -232.176 -129.641 90.837 -129.641 -107.319 -61.3387 90.8371 -61.3383 112.034 GPRESSURE: 4702800 -205.479 -105.873 126.326 -89.524 -77.7115 -76.4474 34.814 -15.4715 135.131 PRESSAVG: 4702800 8.36666 -26.404 -63.9792 -26.4041 35.4153 -40.1557 -63.9792 -40.1557 3.67237 GPRESSAVG: 4702800 7.81749 -28.5869 -63.8836 -24.8756 36.11 -42.0094 -62.4869 -40.1845 3.10437 TIMING: 4702800 CPU: 15170.9, 0.00312166/step Wall: 15170.9, 0.00312166/step, 0.257711 hours remaining, 236.878906 MB of memory in use. ENERGY: 4702800 3949.9394 20284.3279 14460.3024 223.3924 -203095.8347 2276.3772 0.0000 0.0000 52057.1585 -109844.3369 299.1732 -161901.4954 -109480.2699 298.1709 -75.8205 -49.3532 759585.6137 15.8181 15.6773 PRESSURE: 4703000 417.632 -8.56697 -275.512 -8.56557 -107.454 198.274 -275.512 198.273 -175.087 GPRESSURE: 4703000 397.291 60.1542 -235.605 145.242 -72.9574 120.845 -253.338 214.26 -107.979 PRESSAVG: 4703000 -25.5439 -21.3577 -68.1745 -21.3577 25.5078 -27.7089 -68.1745 -27.7089 2.15227 GPRESSAVG: 4703000 -25.754 -17.7611 -69.1085 -25.0281 25.1448 -25.854 -67.887 -30.3946 2.37721 TIMING: 4703000 CPU: 15171.5, 0.00311434/step Wall: 15171.5, 0.00311434/step, 0.256933 hours remaining, 236.878906 MB of memory in use. ENERGY: 4703000 3964.2423 20481.9711 14437.9881 245.4146 -203215.2408 2256.6358 0.0000 0.0000 52003.7251 -109825.2638 298.8661 -161828.9889 -109467.5355 298.4514 45.0302 72.1181 759789.9096 0.7054 0.5894 PRESSURE: 4703200 -179.42 -88.5149 -361.875 -88.5148 -9.31461 31.9683 -361.876 31.9677 482.025 GPRESSURE: 4703200 -147.618 -82.6281 -304.32 -30.2572 34.853 -13.2613 -240.131 -27.7301 489.007 PRESSAVG: 4703200 -1.44034 -14.9896 -58.1335 -14.9896 -48.6709 6.86414 -58.1335 6.86417 -4.86572 GPRESSAVG: 4703200 -1.41528 -18.4217 -57.5592 -14.021 -49.6668 6.14101 -57.8421 7.50254 -4.49435 TIMING: 4703200 CPU: 15172.1, 0.00310492/step Wall: 15172.1, 0.00310492/step, 0.255983 hours remaining, 236.878906 MB of memory in use. ENERGY: 4703200 3982.0853 20616.8828 14409.8652 255.3625 -203237.4123 2593.5261 0.0000 0.0000 51933.8948 -109445.7956 298.4648 -161379.6904 -109094.2580 298.5336 97.7636 125.4142 759529.6511 -18.3256 -18.5255 PRESSURE: 4703400 188.85 -286.347 209.115 -286.346 -150.466 -197.514 209.115 -197.514 69.1962 GPRESSURE: 4703400 169.951 -256.441 182.015 -330.899 -71.2486 -228.283 182.471 -155.202 81.5571 PRESSAVG: 4703400 24.4963 -8.44549 -0.452423 -8.44548 -8.32562 -6.55684 -0.4524 -6.55679 16.7162 GPRESSAVG: 4703400 23.9493 -5.6234 0.455414 -6.58364 -8.42591 -6.47103 0.653802 -5.32325 17.1131 TIMING: 4703400 CPU: 15172.7, 0.00311077/step Wall: 15172.7, 0.00311077/step, 0.256293 hours remaining, 236.878906 MB of memory in use. ENERGY: 4703400 3933.1363 20534.9048 14423.9256 255.4405 -203182.1391 2413.6671 0.0000 0.0000 52150.2400 -109470.8248 299.7081 -161621.0648 -109111.6538 298.8612 35.8601 60.0863 759422.0118 10.9623 10.8788 PRESSURE: 4703600 -114.422 -45.7834 108.567 -45.7839 -39.1962 -95.7551 108.566 -95.7546 -33.6306 GPRESSURE: 4703600 -63.031 -24.3792 105.12 109.912 28.8007 -139.107 104.715 -118.686 -79.1022 PRESSAVG: 4703600 12.196 -80.6449 -0.761914 -80.6449 -0.910936 17.3472 -0.761955 17.3472 -0.324969 GPRESSAVG: 4703600 12.9747 -82.3834 -1.94328 -80.6019 -0.535955 18.711 -4.66611 16.2802 -0.638286 TIMING: 4703600 CPU: 15173.4, 0.00311696/step Wall: 15173.4, 0.00311696/step, 0.256629 hours remaining, 236.878906 MB of memory in use. ENERGY: 4703600 4023.7370 20425.0636 14503.7812 247.2190 -202925.8058 2277.5109 0.0000 0.0000 51970.1746 -109478.3194 298.6733 -161448.4940 -109117.9568 299.1251 -62.4161 -37.7775 759889.5408 3.6534 3.9335 PRESSURE: 4703800 280.619 -176.237 -15.9033 -176.237 -71.5646 -24.1154 -15.904 -24.1162 -393.916 GPRESSURE: 4703800 304.931 -139.161 -86.0799 -134.95 28.4514 -107.599 144.053 26.4208 -432.401 PRESSAVG: 4703800 -31.5185 -35.5483 26.2418 -35.5483 -24.3467 10.8506 26.2417 10.8506 12.1923 GPRESSAVG: 4703800 -31.6393 -34.7256 25.5069 -37.9017 -23.5469 10.4889 29.1974 10.214 10.529 TIMING: 4703800 CPU: 15174, 0.00309611/step Wall: 15174, 0.00309611/step, 0.254741 hours remaining, 236.878906 MB of memory in use. ENERGY: 4703800 3968.5632 20441.9628 14392.2655 261.3127 -203332.0402 2681.6963 0.0000 0.0000 52092.7644 -109493.4752 299.3778 -161586.2396 -109128.0204 298.8140 -61.6206 -33.0059 757828.8813 -14.5576 -14.8857 PRESSURE: 4704000 -274.821 12.239 -347.647 12.2392 -18.3558 -130.698 -347.647 -130.698 -378.891 GPRESSURE: 4704000 -199.641 38.5659 -368.008 -94.0175 -84.9648 -134.017 -272.254 -150.255 -307.829 PRESSAVG: 4704000 15.1252 -14.0169 9.68957 -14.0169 1.15268 -19.7828 9.6895 -19.7828 10.3431 GPRESSAVG: 4704000 13.72 -15.2184 11.9842 -13.897 -1.02289 -19.4561 7.34567 -19.0272 12.6823 TIMING: 4704000 CPU: 15174.6, 0.00310679/step Wall: 15174.6, 0.00310679/step, 0.255448 hours remaining, 236.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 4009.4826 20542.9986 14466.8157 251.1277 -203088.0358 2383.6565 0.0000 0.0000 51962.0691 -109471.8856 298.6267 -161433.9547 -109120.1846 298.9583 -224.0224 -197.4783 761177.6644 8.8736 8.4598 PRESSURE: 4704200 40.4195 37.736 43.182 37.7365 -49.7217 53.1129 43.1814 53.1126 219.799 GPRESSURE: 4704200 58.2729 -1.40846 114.237 81.2373 -64.7169 121.821 36.378 -46.6524 302.268 PRESSAVG: 4704200 -8.29834 -51.6782 -21.9934 -51.6782 19.5797 -30.6721 -21.9933 -30.6722 -26.1532 GPRESSAVG: 4704200 -7.66366 -50.7617 -23.0511 -51.8041 19.5656 -30.9227 -18.8656 -29.2768 -26.4592 TIMING: 4704200 CPU: 15175.2, 0.00313087/step Wall: 15175.2, 0.00313087/step, 0.257253 hours remaining, 236.878906 MB of memory in use. ENERGY: 4704200 4015.5137 20627.3799 14482.0555 239.7225 -203231.7405 2349.0970 0.0000 0.0000 52080.0352 -109437.9367 299.3047 -161517.9719 -109072.2652 299.3736 70.1656 98.6081 759335.0465 -4.9573 -4.8524 LDB: ============= START OF LOAD BALANCING ============== 15187.6 LDB: ============== END OF LOAD BALANCING =============== 15187.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15187.6 LDB: ============= START OF LOAD BALANCING ============== 15187.9 LDB: Largest compute 7075 load 0.031442 is 16.1% of average load 0.195662 LDB: Average compute 0.004357 is 2.2% of average load 0.195662 LDB: TIME 15188 LOAD: AVG 0.195662 MAX 0.213444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.762 MB LDB: TIME 15188 LOAD: AVG 0.195662 MAX 0.213444 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.766 MB LDB: TIME 15188 LOAD: AVG 0.195662 MAX 0.213444 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.766 MB LDB: ============== END OF LOAD BALANCING =============== 15188 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15188 PRESSURE: 4704400 -302.649 -8.64658 -203.022 -8.6463 -163.636 202.621 -203.022 202.622 240.434 GPRESSURE: 4704400 -314.116 55.6922 -251.743 -18.6655 -42.9704 154.546 -138.871 138.275 226.109 PRESSAVG: 4704400 -19.7262 -10.5432 -26.9158 -10.5431 -36.7425 26.9857 -26.9158 26.9856 14.8117 GPRESSAVG: 4704400 -19.6019 -10.7334 -28.2076 -10.0073 -35.8064 27.6375 -27.7671 24.5414 13.8247 TIMING: 4704400 CPU: 15175.9, 0.0031839/step Wall: 15175.9, 0.0031839/step, 0.261433 hours remaining, 235.179688 MB of memory in use. ENERGY: 4704400 3971.1810 20615.1698 14559.4616 240.9562 -203316.7121 2319.9638 0.0000 0.0000 52023.1857 -109586.7939 298.9780 -161609.9797 -109224.8672 299.6685 -75.2834 -43.6591 760857.2289 -13.8857 -13.8612 PRESSURE: 4704600 -248.92 -260.849 186.351 -260.849 -482.151 -89.4386 186.352 -89.4387 -139.789 GPRESSURE: 4704600 -254.328 -276.117 201.123 -158.601 -460.728 -126.941 188.405 -167.51 -49.1459 PRESSAVG: 4704600 9.98328 -36.2496 -14.9964 -36.2496 -20.843 -14.8696 -14.9963 -14.8696 7.60237 GPRESSAVG: 4704600 10.2058 -38.7905 -14.2462 -36.4918 -21.8438 -15.5382 -17.6758 -12.599 8.3655 TIMING: 4704600 CPU: 15176.5, 0.00311339/step Wall: 15176.5, 0.00311339/step, 0.255471 hours remaining, 235.378906 MB of memory in use. ENERGY: 4704600 4116.9668 20266.6132 14515.4387 247.2916 -203469.8877 2386.7870 0.0000 0.0000 52070.1236 -109866.6668 299.2477 -161936.7904 -109499.2900 298.5288 -290.2869 -254.7339 761514.1838 -1.0858 -1.0908 PRESSURE: 4704800 106.217 -77.6292 58.9493 -77.6295 96.1381 3.33178 58.9495 3.33188 9.67641 GPRESSURE: 4704800 80.0984 -51.0929 7.0597 -129.038 162.133 -61.2903 85.9355 45.894 56.6994 PRESSAVG: 4704800 0.551351 -40.5481 -26.919 -40.5482 -14.6871 -3.02549 -26.919 -3.02543 5.20163 GPRESSAVG: 4704800 -0.553896 -40.3395 -25.7321 -40.7039 -13.9914 -4.06314 -26.7187 -4.37036 5.39588 TIMING: 4704800 CPU: 15177.1, 0.00311044/step Wall: 15177.1, 0.00311044/step, 0.255056 hours remaining, 235.460938 MB of memory in use. ENERGY: 4704800 3979.2317 20375.7553 14420.1723 235.9477 -203313.5958 2384.7483 0.0000 0.0000 52114.5514 -109803.1891 299.5030 -161917.7405 -109446.6102 298.8661 70.6772 99.6437 760547.7687 -2.9781 -3.0498 PRESSURE: 4705000 -84.1042 55.8789 -278.462 55.879 155.183 -58.4421 -278.462 -58.4426 402.024 GPRESSURE: 4705000 47.4954 46.9997 -443.159 20.9674 111.438 -46.7328 -136.918 -66.3067 410.043 PRESSAVG: 4705000 25.2715 -29.4385 -8.60548 -29.4384 -9.03997 -60.833 -8.60545 -60.833 18.8861 GPRESSAVG: 4705000 26.4599 -28.044 -11.2326 -30.3999 -9.17169 -59.5475 -5.04524 -59.716 18.3267 TIMING: 4705000 CPU: 15177.7, 0.00310704/step Wall: 15177.7, 0.00310704/step, 0.254605 hours remaining, 235.460938 MB of memory in use. ENERGY: 4705000 4018.1453 20451.8944 14454.2617 232.3244 -203345.3470 2500.7344 0.0000 0.0000 52081.8202 -109606.1667 299.3149 -161687.9869 -109247.6467 298.6194 157.7011 189.6589 760391.5904 11.7059 11.8716 PRESSURE: 4705200 -229.739 44.9193 99.7496 44.9195 -298.025 -257.174 99.7491 -257.175 -33.979 GPRESSURE: 4705200 -111.76 -42.7669 149.299 -90.3179 -281.674 -215.583 70.8594 -137.421 -70.1915 PRESSAVG: 4705200 -18.6168 2.84783 -13.7061 2.84782 18.9592 -12.4975 -13.706 -12.4976 -2.4505 GPRESSAVG: 4705200 -18.2385 3.93692 -12.6982 2.41299 18.0949 -11.8469 -14.5924 -13.2192 -2.06481 TIMING: 4705200 CPU: 15178.3, 0.00310214/step Wall: 15178.3, 0.00310214/step, 0.254031 hours remaining, 235.460938 MB of memory in use. ENERGY: 4705200 4020.7490 20441.1456 14400.9149 251.1656 -203265.6464 2457.7555 0.0000 0.0000 51968.3234 -109725.5923 298.6627 -161693.9157 -109361.1490 298.8724 -187.2479 -154.5421 761497.0527 -0.7027 -0.7361 PRESSURE: 4705400 159.814 -40.1888 251.757 -40.1885 -55.0491 66.8588 251.757 66.8599 320.95 GPRESSURE: 4705400 183.95 -57.6204 266.519 -85.2514 -4.64685 110.16 250.278 -88.2128 326.201 PRESSAVG: 4705400 -34.2322 -51.5228 60.9193 -51.5228 52.8264 -38.4543 60.9193 -38.4543 0.9173 GPRESSAVG: 4705400 -33.4695 -50.6281 61.4269 -52.3916 52.5484 -36.4452 57.6639 -38.3257 1.0301 TIMING: 4705400 CPU: 15179, 0.00310996/step Wall: 15179, 0.00310997/step, 0.254499 hours remaining, 235.460938 MB of memory in use. ENERGY: 4705400 3960.6834 20639.9612 14494.6752 255.9907 -203594.5954 2694.8434 0.0000 0.0000 51794.5036 -109753.9379 297.6637 -161548.4415 -109399.4184 299.4222 141.9049 168.5014 760352.6931 6.5038 6.7030 PRESSURE: 4705600 -69.8981 -54.0389 -77.038 -54.0395 -284.273 -2.05576 -77.0389 -2.05601 -386.87 GPRESSURE: 4705600 -231.248 68.2186 -104.449 -244.489 -133.621 -1.09036 -185.125 -85.4161 -300.722 PRESSAVG: 4705600 -25.3668 40.097 -7.50032 40.097 3.08467 -30.0867 -7.50034 -30.0867 -4.46315 GPRESSAVG: 4705600 -26.6127 37.8831 -8.32874 40.1508 4.56102 -32.3817 -5.61317 -29.7612 -5.00782 TIMING: 4705600 CPU: 15179.6, 0.00310758/step Wall: 15179.6, 0.00310758/step, 0.254131 hours remaining, 235.460938 MB of memory in use. ENERGY: 4705600 3979.7834 20469.6656 14585.5733 247.6376 -203353.6576 2279.0041 0.0000 0.0000 51977.5285 -109814.4652 298.7156 -161791.9936 -109451.4438 298.7071 -247.0137 -221.8635 760589.8921 -8.9151 -9.0198 PRESSURE: 4705800 109.697 -62.6536 -30.1237 -62.6539 -309.423 -51.2959 -30.1242 -51.2952 -327.004 GPRESSURE: 4705800 86.2061 -3.85564 -27.0436 -56.7301 -225.053 -110.551 -205.161 130.168 -304.705 PRESSAVG: 4705800 -39.2616 -19.4662 -1.8069 -19.4662 -5.09599 -57.2557 -1.80698 -57.2557 3.35213 GPRESSAVG: 4705800 -39.3523 -18.3148 -1.09607 -19.5551 -5.14016 -56.7151 -2.07843 -56.6615 3.1532 TIMING: 4705800 CPU: 15180.2, 0.00312063/step Wall: 15180.2, 0.00312063/step, 0.255025 hours remaining, 235.460938 MB of memory in use. ENERGY: 4705800 3900.1737 20566.7382 14511.0012 250.1900 -203704.9893 2705.5900 0.0000 0.0000 52107.9276 -109663.3685 299.4650 -161771.2961 -109296.9034 299.4611 -175.5768 -147.8507 760193.4571 -13.6685 -13.7798 PRESSURE: 4706000 -104.293 137.994 125.583 137.995 -64.8305 -80.0484 125.583 -80.0477 -286.307 GPRESSURE: 4706000 -93.1875 152.884 28.3779 74.7167 -58.4801 -138.652 163.056 -66.3948 -220.908 PRESSAVG: 4706000 29.8481 -35.6136 15.4333 -35.6137 -25.6025 -34.5916 15.4332 -34.5916 14.7053 GPRESSAVG: 4706000 30.0481 -37.4571 14.8136 -32.5911 -25.498 -35.9971 15.8274 -32.2903 14.8173 TIMING: 4706000 CPU: 15180.8, 0.00312655/step Wall: 15180.8, 0.00312655/step, 0.255335 hours remaining, 235.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4706000 4020.7859 20538.8947 14604.6173 244.8488 -203811.8902 2684.9170 0.0000 0.0000 52032.2802 -109685.5463 299.0302 -161717.8265 -109323.5196 299.2604 -151.8101 -124.1919 760938.4632 6.3170 6.4558 PRESSURE: 4706200 -202.364 -85.1799 -192.05 -85.1796 -252.356 93.3983 -192.05 93.3977 -5.21941 GPRESSURE: 4706200 -83.6302 -27.8636 -121.291 -158.008 -266.184 152.688 -66.9141 59.9292 -32.0436 PRESSAVG: 4706200 31.6256 -23.3922 9.52912 -23.3922 -47.1164 -30.361 9.52906 -30.361 11.02 GPRESSAVG: 4706200 32.6427 -21.9164 11.0681 -25.1115 -48.6602 -28.7882 9.95742 -33.2091 10.7119 TIMING: 4706200 CPU: 15181.5, 0.00312782/step Wall: 15181.5, 0.00312782/step, 0.255265 hours remaining, 235.460938 MB of memory in use. ENERGY: 4706200 4043.8933 20685.3994 14425.2538 221.5407 -203663.1920 2496.1412 0.0000 0.0000 52127.5500 -109663.4136 299.5777 -161790.9636 -109308.4267 299.2728 -153.3132 -127.2860 758360.8284 -1.4903 -1.7685 PRESSURE: 4706400 260.259 123.796 -132.916 123.795 -17.1824 -131.055 -132.917 -131.057 26.9268 GPRESSURE: 4706400 264.797 65.4278 -110.994 55.6559 77.4153 -125.387 -196.231 -118.351 31.397 PRESSAVG: 4706400 17.7602 2.34206 10.9019 2.34209 1.65141 33.3876 10.9019 33.3877 15.9661 GPRESSAVG: 4706400 15.9335 3.69211 11.1782 1.04197 3.33046 34.2675 8.95828 33.7098 16.1308 TIMING: 4706400 CPU: 15182.1, 0.00310713/step Wall: 15182.1, 0.00310713/step, 0.253404 hours remaining, 235.531250 MB of memory in use. ENERGY: 4706400 3972.1275 20402.6961 14446.3781 272.4736 -203790.8502 2747.5163 0.0000 0.0000 52218.1014 -109731.5572 300.0981 -161949.6586 -109367.7880 299.5412 90.0011 124.5363 758047.9860 11.7926 11.7983 PRESSURE: 4706600 -97.1581 70.3915 -12.1189 70.3912 -260.454 180.061 -12.1192 180.061 -347.828 GPRESSURE: 4706600 -121.53 120.722 12.2333 53.6058 -225.907 187.533 -78.9532 264.774 -298.821 PRESSAVG: 4706600 46.6928 -41.6888 -54.6911 -41.6888 -88.6185 23.3953 -54.6911 23.3953 -19.8607 GPRESSAVG: 4706600 48.1338 -41.4575 -55.9246 -40.8926 -89.4905 21.3762 -54.0199 25.408 -20.1268 TIMING: 4706600 CPU: 15182.7, 0.00310695/step Wall: 15182.7, 0.00310695/step, 0.253217 hours remaining, 235.531250 MB of memory in use. ENERGY: 4706600 4046.9592 20455.7637 14551.3161 234.6441 -203370.4796 2323.0957 0.0000 0.0000 52021.8504 -109736.8504 298.9703 -161758.7007 -109369.2535 299.1322 -235.1466 -215.4194 759628.6402 -20.5955 -20.4945 PRESSURE: 4706800 -95.9135 -185.062 9.47381 -185.062 -300.33 -192.444 9.47324 -192.444 -436.453 GPRESSURE: 4706800 -42.5096 -136.497 18.7585 -123.793 -229.5 -167.537 -52.5259 -111.905 -468.762 PRESSAVG: 4706800 13.5824 -12.2991 -31.4657 -12.2991 -36.7095 -60.4683 -31.4657 -60.4682 -26.9091 GPRESSAVG: 4706800 13.6762 -14.089 -33.593 -10.1399 -36.9484 -59.5049 -30.6529 -61.4763 -26.8994 TIMING: 4706800 CPU: 15183.3, 0.00311666/step Wall: 15183.3, 0.00311666/step, 0.253835 hours remaining, 235.531250 MB of memory in use. ENERGY: 4706800 3945.2539 20435.8127 14518.1745 242.2776 -203507.8597 2232.8615 0.0000 0.0000 52146.1758 -109987.3038 299.6848 -162133.4796 -109621.1648 298.7220 -277.5657 -246.9238 759093.6572 -16.6788 -16.7239 PRESSURE: 4707000 63.9463 -124.965 -294.742 -124.965 318.22 167.272 -294.742 167.271 345.777 GPRESSURE: 4707000 90.047 -56.9243 -216.626 -124.765 329.084 105.084 -269.617 55.4031 384.666 PRESSAVG: 4707000 3.08893 -81.5257 -24.3882 -81.5257 -13.1472 10.9076 -24.3882 10.9076 -3.71782 GPRESSAVG: 4707000 2.47174 -80.1556 -22.1708 -81.7159 -11.9295 9.92243 -25.5449 8.49767 -4.00321 TIMING: 4707000 CPU: 15183.9, 0.00310993/step Wall: 15183.9, 0.00310993/step, 0.253114 hours remaining, 235.531250 MB of memory in use. ENERGY: 4707000 3951.1104 20632.2740 14469.3234 241.9923 -203620.1470 2461.4280 0.0000 0.0000 52060.1811 -109803.8379 299.1906 -161864.0190 -109436.9439 298.9026 242.6480 267.9322 759349.2962 -4.5920 -4.4870 PRESSURE: 4707200 -215.694 -215.964 -302.649 -215.965 71.1207 -56.2669 -302.649 -56.267 -129.035 GPRESSURE: 4707200 -43.4896 -299.448 -254.44 -168.184 -26.5676 -4.14403 -427.418 -114.747 -127.941 PRESSAVG: 4707200 22.6854 -38.3831 -64.5583 -38.3831 -16.2684 -23.1266 -64.5584 -23.1265 4.18002 GPRESSAVG: 4707200 22.7546 -40.1868 -66.341 -39.1608 -17.856 -24.0883 -64.0249 -22.3496 5.56043 TIMING: 4707200 CPU: 15184.6, 0.00309172/step Wall: 15184.6, 0.00309172/step, 0.25146 hours remaining, 235.531250 MB of memory in use. ENERGY: 4707200 4055.6212 20569.6485 14497.7823 240.0517 -203785.3081 2567.7548 0.0000 0.0000 51815.4452 -110039.0043 297.7841 -161854.4496 -109686.1344 298.9480 -91.2028 -65.9994 759120.4915 3.5323 3.4863 PRESSURE: 4707400 89.2393 -40.52 125.699 -40.5197 -171.786 205.671 125.699 205.671 308.639 GPRESSURE: 4707400 127.566 -183.907 112.912 -118.155 -118.135 183.396 30.6976 190.865 301.648 PRESSAVG: 4707400 45.887 -76.0338 -18.1474 -76.0338 -5.09318 -0.717403 -18.1474 -0.717384 14.9762 GPRESSAVG: 4707400 46.545 -74.4952 -16.3098 -76.7437 -5.44735 -1.13882 -18.8976 1.69383 15.3348 TIMING: 4707400 CPU: 15185.2, 0.0031016/step Wall: 15185.2, 0.0031016/step, 0.252091 hours remaining, 235.531250 MB of memory in use. ENERGY: 4707400 3948.2950 20396.7969 14469.3677 233.9352 -203596.3914 2401.5255 0.0000 0.0000 51981.6112 -110164.8599 298.7390 -162146.4711 -109800.8199 297.9538 75.3641 103.6934 758481.5458 18.5900 18.8108 PRESSURE: 4707600 -92.4017 -47.1139 -259.057 -47.1143 200.664 -15.9794 -259.058 -15.9807 115.574 GPRESSURE: 4707600 -32.5654 -138.563 -256.452 -139.862 201.43 -18.7126 -89.7723 118.757 154.331 PRESSAVG: 4707600 57.5393 -43.4413 -53.1529 -43.4413 -24.778 -7.41544 -53.1529 -7.41541 0.758282 GPRESSAVG: 4707600 56.0576 -43.1551 -52.1179 -43.0443 -23.2984 -5.61428 -51.7363 -8.3575 0.496402 TIMING: 4707600 CPU: 15185.8, 0.00311702/step Wall: 15185.8, 0.00311702/step, 0.253171 hours remaining, 235.531250 MB of memory in use. ENERGY: 4707600 3997.7557 20441.6328 14495.5668 240.5042 -204277.0893 2855.9686 0.0000 0.0000 51984.7980 -110260.8632 298.7573 -162245.6612 -109899.8587 298.2395 74.6120 107.7319 758384.2063 11.1732 11.0852 PRESSURE: 4707800 359.553 36.1565 -384.939 36.156 129.465 188.894 -384.939 188.894 117.673 GPRESSURE: 4707800 396.762 -20.336 -381.651 72.9926 166.264 120.453 -315.523 146.02 122.774 PRESSAVG: 4707800 3.68968 1.30849 -26.2378 1.30845 14.1713 -27.7595 -26.2378 -27.7596 5.92897 GPRESSAVG: 4707800 4.64333 -0.105397 -27.9862 2.85059 13.5516 -27.3211 -25.2613 -27.6249 5.23993 TIMING: 4707800 CPU: 15186.4, 0.00310642/step Wall: 15186.4, 0.00310642/step, 0.252138 hours remaining, 235.531250 MB of memory in use. ENERGY: 4707800 3822.3382 20543.6387 14461.9045 234.1889 -203955.6619 2552.6797 0.0000 0.0000 51821.5804 -110519.3316 297.8193 -162340.9120 -110159.2226 298.0919 202.2304 228.6000 758876.9169 7.9300 7.8116 PRESSURE: 4708000 119.056 -16.3054 -86.1956 -16.306 -115.537 5.97294 -86.1965 5.97289 -31.396 GPRESSURE: 4708000 118.548 -59.9389 -146.349 -76.5734 -68.8152 75.4498 -68.3616 143.765 21.4012 PRESSAVG: 4708000 38.2617 9.59123 -22.8813 9.5912 -21.6933 -49.0728 -22.8813 -49.0728 31.5601 GPRESSAVG: 4708000 38.2785 8.99107 -22.947 8.35174 -22.124 -50.9992 -23.8638 -47.4611 31.5623 TIMING: 4708000 CPU: 15187.1, 0.00311502/step Wall: 15187.1, 0.00311502/step, 0.252662 hours remaining, 235.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4708000 3935.3827 20352.5833 14440.8545 248.2254 -203715.4262 2531.8288 0.0000 0.0000 51509.8337 -110696.7179 296.0277 -162206.5516 -110328.4162 296.9290 -9.2926 23.7112 758587.0586 16.0428 15.9056 PRESSURE: 4708200 -60.962 -52.3175 169.603 -52.3179 -131.642 10.737 169.604 10.7368 -57.8849 GPRESSURE: 4708200 -82.1823 -6.01718 112.56 -24.6941 -64.8403 -49.5219 213.041 -132.494 -23.1444 PRESSAVG: 4708200 -31.7644 -13.8011 -6.05591 -13.8011 40.2484 -1.08109 -6.05597 -1.08104 3.07082 GPRESSAVG: 4708200 -31.9444 -13.5541 -7.30281 -12.1318 41.2904 0.150871 -3.95989 -4.32419 2.2979 TIMING: 4708200 CPU: 15187.7, 0.00309658/step Wall: 15187.7, 0.00309658/step, 0.250995 hours remaining, 235.531250 MB of memory in use. ENERGY: 4708200 3976.4753 20524.4139 14457.5797 244.7977 -203869.4573 2404.1879 0.0000 0.0000 51795.5307 -110466.4721 297.6696 -162262.0027 -110100.8020 297.3312 -83.4964 -56.7223 758507.9661 3.8516 3.8813 LDB: ============= START OF LOAD BALANCING ============== 15200.1 LDB: ============== END OF LOAD BALANCING =============== 15200.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15200.1 LDB: ============= START OF LOAD BALANCING ============== 15200.4 LDB: Largest compute 7066 load 0.031118 is 15.9% of average load 0.195677 LDB: Average compute 0.004364 is 2.2% of average load 0.195677 LDB: TIME 15200.4 LOAD: AVG 0.195677 MAX 0.213463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.094 MB LDB: TIME 15200.4 LOAD: AVG 0.195677 MAX 0.213463 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: TIME 15200.4 LOAD: AVG 0.195677 MAX 0.213463 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: ============== END OF LOAD BALANCING =============== 15200.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15200.4 PRESSURE: 4708400 -107.471 35.3955 19.6066 35.3954 -330.967 -47.1408 19.6055 -47.1409 -623.515 GPRESSURE: 4708400 -115.266 -101.146 -19.1218 -18.9907 -269.427 36.318 71.6065 89.2005 -578.679 PRESSAVG: 4708400 8.35262 -21.7215 52.1378 -21.7215 -0.319411 -34.7261 52.1378 -34.7262 4.94713 GPRESSAVG: 4708400 9.50159 -23.3804 51.823 -22.5369 0.320963 -35.7789 51.549 -33.6891 3.76993 TIMING: 4708400 CPU: 15188.3, 0.00317348/step Wall: 15188.3, 0.00317348/step, 0.257052 hours remaining, 234.937500 MB of memory in use. ENERGY: 4708400 4089.6139 20533.3353 14482.2128 257.6512 -203769.5565 2480.4595 0.0000 0.0000 51669.4170 -110256.8668 296.9448 -161926.2838 -109897.3874 297.5005 -353.9845 -321.1238 759105.9139 4.3268 4.5308 PRESSURE: 4708600 -297.992 -78.545 -237.132 -78.5454 215.656 99.982 -237.132 99.9816 -227.98 GPRESSURE: 4708600 -285.467 28.0016 -177.952 -9.4911 234.244 99.9682 12.5576 155.103 -168.193 PRESSAVG: 4708600 5.22581 10.0732 10.6043 10.0731 0.734291 -11.4212 10.6043 -11.4212 2.86088 GPRESSAVG: 4708600 4.06025 13.3038 12.9865 9.37517 0.131953 -10.9779 8.45648 -10.5207 5.21968 TIMING: 4708600 CPU: 15188.9, 0.00312136/step Wall: 15188.9, 0.00312136/step, 0.252657 hours remaining, 235.136719 MB of memory in use. ENERGY: 4708600 3939.9568 20505.9632 14450.8825 252.8927 -203662.0635 2421.2935 0.0000 0.0000 51932.5326 -110158.5422 298.4570 -162091.0747 -109788.4220 298.3134 -103.4388 -73.1387 758680.3908 2.9403 3.1373 PRESSURE: 4708800 -447.437 7.36861 -106.13 7.36902 -399.042 159.289 -106.13 159.29 -166.433 GPRESSURE: 4708800 -319.917 84.023 -69.4244 28.9816 -427.995 158.92 -107.469 184.174 -181.152 PRESSAVG: 4708800 -21.6001 -38.8924 6.1821 -38.8925 14.3879 -5.61455 6.18204 -5.61454 -6.36085 GPRESSAVG: 4708800 -20.2673 -38.7705 5.09058 -38.6852 13.1419 -5.25824 7.78464 -7.78114 -6.43884 TIMING: 4708800 CPU: 15189.6, 0.00312694/step Wall: 15189.6, 0.00312694/step, 0.252935 hours remaining, 235.394531 MB of memory in use. ENERGY: 4708800 3950.4100 20512.6173 14469.9224 252.7874 -203512.8164 2297.0628 0.0000 0.0000 51873.1986 -110156.8179 298.1160 -162030.0166 -109799.1015 297.8731 -337.6374 -309.6881 761055.3842 -4.5243 -4.5214 PRESSURE: 4709000 -98.509 -90.9713 32.8592 -90.9696 -84.7516 -72.4013 32.8593 -72.4018 -297.124 GPRESSURE: 4709000 -158.06 -51.0616 -30.807 -134.34 20.0936 -105.117 46.2233 -246.641 -265.503 PRESSAVG: 4709000 -3.50155 -68.4236 -14.4327 -68.4236 -15.7774 -3.29142 -14.4327 -3.29143 19.9463 GPRESSAVG: 4709000 -3.72676 -68.4462 -14.742 -68.2489 -14.2945 -2.56823 -13.7408 -2.39025 18.8187 TIMING: 4709000 CPU: 15190.2, 0.0031207/step Wall: 15190.2, 0.00312069/step, 0.252256 hours remaining, 235.593750 MB of memory in use. ENERGY: 4709000 3906.0085 20406.3228 14403.1593 241.8747 -203318.6052 2319.2549 0.0000 0.0000 51859.7241 -110182.2609 298.0385 -162041.9850 -109819.0311 297.8605 -160.1283 -134.4896 758408.3708 0.2225 0.2658 PRESSURE: 4709200 73.7178 -180.919 -188.527 -180.921 -143.071 -49.6169 -188.527 -49.616 -118.317 GPRESSURE: 4709200 -1.93774 -134.417 -177.53 -199.038 -55.7319 -38.6676 -241.341 -45.5754 -48.7791 PRESSAVG: 4709200 -0.902068 -41.3589 -23.8575 -41.3589 3.3069 -23.0736 -23.8576 -23.0737 -11.6179 GPRESSAVG: 4709200 -1.02682 -41.7781 -24.1836 -41.9734 2.59818 -24.5348 -25.2764 -20.2501 -10.5495 TIMING: 4709200 CPU: 15190.8, 0.00311795/step Wall: 15190.8, 0.00311796/step, 0.251861 hours remaining, 235.593750 MB of memory in use. ENERGY: 4709200 3903.9469 20412.0714 14467.8552 266.0402 -203355.6406 2448.4332 0.0000 0.0000 51830.1366 -110027.1571 297.8685 -161857.2937 -109664.4973 298.1458 -62.5568 -35.4829 758827.6392 -3.0710 -2.9927 PRESSURE: 4709400 -199.072 -167.993 -151.596 -167.993 -28.9275 -126.116 -151.596 -126.115 609.028 GPRESSURE: 4709400 -128.284 -174.579 -140.593 -115.793 -24.8028 -111.477 -151.354 -85.1975 629.642 PRESSAVG: 4709400 -5.94489 -54.6339 -38.1813 -54.6338 8.59903 -8.7609 -38.1814 -8.761 17.7791 GPRESSAVG: 4709400 -5.84769 -55.4681 -36.6345 -53.7709 8.49618 -9.78224 -39.2534 -12.3913 16.8609 TIMING: 4709400 CPU: 15191.4, 0.00309889/step Wall: 15191.4, 0.00309889/step, 0.250149 hours remaining, 235.593750 MB of memory in use. ENERGY: 4709400 4016.5016 20448.6231 14447.4600 233.8717 -203396.3569 2405.5732 0.0000 0.0000 51887.3975 -109956.9298 298.1976 -161844.3273 -109606.0136 298.6975 127.0093 158.8518 759298.3570 6.8111 6.5031 PRESSURE: 4709600 215.228 30.2308 -64.5656 30.2309 176.548 117.779 -64.5649 117.778 320.211 GPRESSURE: 4709600 292.055 38.7245 -136.52 -58.4293 255.999 58.1884 -67.5685 -35.5521 256.76 PRESSAVG: 4709600 -8.73724 -66.142 -5.30351 -66.1419 -32.1885 9.98022 -5.30353 9.98022 -11.4207 GPRESSAVG: 4709600 -9.89739 -65.3458 -6.77781 -65.3354 -31.4999 10.5371 -4.2077 10.5475 -11.1056 TIMING: 4709600 CPU: 15192, 0.00312589/step Wall: 15192, 0.00312589/step, 0.252155 hours remaining, 235.734375 MB of memory in use. ENERGY: 4709600 3984.3500 20399.5653 14359.7565 261.1330 -203519.6605 2525.6051 0.0000 0.0000 52003.9695 -109985.2811 298.8675 -161989.2506 -109621.1398 298.4267 237.3289 268.2717 760464.3136 -17.4488 -17.5010 PRESSURE: 4709800 -227.425 135.617 -18.1078 135.617 -395.983 -188.068 -18.1087 -188.069 -299.179 GPRESSURE: 4709800 -152.789 -25.138 -51.1604 121.665 -322.752 -208.362 -44.1488 -141.202 -365.883 PRESSAVG: 4709800 -8.77631 -53.235 14.049 -53.235 49.2175 -12.4826 14.049 -12.4827 16.7098 GPRESSAVG: 4709800 -7.38835 -52.8063 14.7599 -54.8127 48.5844 -13.6365 14.2397 -12.3996 15.9878 TIMING: 4709800 CPU: 15192.7, 0.00311946/step Wall: 15192.7, 0.00311946/step, 0.251463 hours remaining, 235.734375 MB of memory in use. ENERGY: 4709800 4022.0374 20397.1454 14451.1287 239.0073 -203028.3113 2253.6125 0.0000 0.0000 51610.5031 -110054.8769 296.6063 -161665.3800 -109690.3281 298.1218 -307.5292 -280.4748 761397.8963 19.0503 19.0613 PRESSURE: 4710000 -147.024 -265.704 -205.18 -265.703 26.0706 -37.8027 -205.18 -37.8031 -152.834 GPRESSURE: 4710000 -231.845 -56.0943 -245.931 -315.321 157.869 -27.0688 -182.946 -66.693 -121.532 PRESSAVG: 4710000 -18.4948 -68.1661 -12.2963 -68.166 43.0613 -34.9009 -12.2963 -34.9007 20.4979 GPRESSAVG: 4710000 -18.9462 -70.6757 -13.8577 -67.2172 42.3998 -34.5994 -12.0936 -35.2918 21.5469 TIMING: 4710000 CPU: 15193.3, 0.00311992/step Wall: 15193.3, 0.00311992/step, 0.251327 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4710000 4050.0408 20536.7785 14434.5175 256.8427 -203435.1682 2533.0251 0.0000 0.0000 51658.9239 -109965.0398 296.8845 -161623.9637 -109614.0178 298.1105 -91.2624 -65.1691 760895.8009 15.0215 15.0002 PRESSURE: 4710200 96.0485 -48.5942 -81.004 -48.594 244.264 -144.027 -81.0042 -144.027 33.187 GPRESSURE: 4710200 136.625 -34.3733 -42.0865 -53.1341 251.477 -76.4399 44.7641 -123.58 73.3808 PRESSAVG: 4710200 -35.0751 -66.3067 -54.8909 -66.3066 20.9973 -7.80685 -54.8909 -7.80689 -6.9602 GPRESSAVG: 4710200 -36.4062 -64.9989 -53.7725 -66.2742 22.1034 -7.26709 -56.2568 -6.67945 -6.93788 TIMING: 4710200 CPU: 15193.9, 0.00310941/step Wall: 15193.9, 0.00310941/step, 0.250308 hours remaining, 235.734375 MB of memory in use. ENERGY: 4710200 4034.6295 20320.1061 14393.1659 243.0760 -203818.6647 2750.4740 0.0000 0.0000 52214.1299 -109863.0834 300.0753 -162077.2133 -109496.0556 298.4115 124.4998 153.8275 760076.6389 -7.0127 -7.0802 PRESSURE: 4710400 -231.716 342.35 -207.303 342.35 -142.476 -159.427 -207.303 -159.427 -257.781 GPRESSURE: 4710400 -126.449 356.176 -142.254 197.252 -205.325 -257.392 -216.27 -158.353 -191.074 PRESSAVG: 4710400 5.13202 -20.0588 -37.6759 -20.0588 -50.6605 -72.3007 -37.6758 -72.3007 -6.70609 GPRESSAVG: 4710400 7.48483 -20.6156 -36.1017 -20.3918 -53.5915 -72.2135 -37.4649 -75.6 -6.38412 TIMING: 4710400 CPU: 15194.5, 0.00311074/step Wall: 15194.5, 0.00311074/step, 0.250242 hours remaining, 235.734375 MB of memory in use. ENERGY: 4710400 4075.8414 20387.3440 14431.7258 243.8220 -203381.1190 2473.9714 0.0000 0.0000 51911.7157 -109856.6986 298.3373 -161768.4143 -109502.7814 298.4161 -210.6575 -174.2829 761155.6885 -17.4115 -17.4969 PRESSURE: 4710600 135.294 -201.987 -39.3696 -201.986 -291.878 105.188 -39.3702 105.187 128.825 GPRESSURE: 4710600 150.062 -177.467 15.5957 -124.23 -264.356 79.5063 26.6041 20.4263 169.012 PRESSAVG: 4710600 20.6748 -56.3376 11.4357 -56.3375 -28.2594 -34.3046 11.4357 -34.3045 16.3612 GPRESSAVG: 4710600 20.0697 -55.5362 9.72802 -55.0791 -26.505 -34.5716 13.0542 -32.1198 15.4216 TIMING: 4710600 CPU: 15195.2, 0.00310417/step Wall: 15195.2, 0.00310417/step, 0.249541 hours remaining, 235.734375 MB of memory in use. ENERGY: 4710600 3987.7525 20596.6464 14422.7955 222.9947 -203706.0122 2562.9728 0.0000 0.0000 51941.1192 -109971.7311 298.5063 -161912.8502 -109621.0762 298.4001 -9.2527 18.2390 760319.1926 2.9255 2.9954 PRESSURE: 4710800 1.22165 -85.046 27.7699 -85.0466 153.148 275.196 27.7699 275.195 -157.277 GPRESSURE: 4710800 97.8343 -77.686 46.4934 -115.154 121.894 299.061 -94.8 196.612 -131.323 PRESSAVG: 4710800 41.3391 -49.2663 -3.31925 -49.2663 -8.68206 39.9748 -3.31919 39.9747 10.7521 GPRESSAVG: 4710800 40.4209 -48.2308 -2.72617 -51.6009 -7.18999 40.797 -3.73871 39.0363 9.75264 TIMING: 4710800 CPU: 15195.8, 0.00310089/step Wall: 15195.8, 0.00310089/step, 0.249105 hours remaining, 235.734375 MB of memory in use. ENERGY: 4710800 4060.4511 20401.9139 14344.3226 244.9452 -203529.0259 2686.0672 0.0000 0.0000 51883.5167 -109907.8093 298.1753 -161791.3261 -109536.3121 298.3166 -0.9688 29.4684 759455.1032 14.4697 14.3279 PRESSURE: 4711000 313.615 -81.8764 -234.805 -81.8763 -119.477 54.3807 -234.805 54.3805 -136.7 GPRESSURE: 4711000 269.846 -50.4474 -221.603 -132.245 -53.1516 85.3463 -233.472 17.2642 -71.3334 PRESSAVG: 4711000 -2.52032 -79.8565 -16.2964 -79.8565 -18.7385 14.163 -16.2964 14.163 7.60148 GPRESSAVG: 4711000 -1.66873 -79.4838 -17.5229 -80.3535 -19.9429 13.3524 -15.9881 15.3539 8.39188 TIMING: 4711000 CPU: 15196.4, 0.00312411/step Wall: 15196.4, 0.00312411/step, 0.250796 hours remaining, 235.734375 MB of memory in use. ENERGY: 4711000 3958.7013 20553.9675 14412.2484 254.2190 -203219.7975 2256.0924 0.0000 0.0000 51900.3008 -109884.2681 298.2717 -161784.5690 -109505.5505 298.5453 19.1459 48.4538 759716.1087 -4.5525 -4.4066 PRESSURE: 4711200 -182.943 126.177 52.402 126.176 -290.941 -12.025 52.4022 -12.0259 111.86 GPRESSURE: 4711200 -146.516 29.6387 84.0363 92.886 -228.168 -57.3964 -52.0547 48.2859 100.152 PRESSAVG: 4711200 -0.820489 12.2255 -59.4209 12.2255 -35.1875 -22.7266 -59.4209 -22.7266 4.36605 GPRESSAVG: 4711200 -1.60532 9.24684 -59.65 12.726 -34.6775 -22.7066 -57.514 -23.2577 4.98508 TIMING: 4711200 CPU: 15197, 0.00310711/step Wall: 15197, 0.00310711/step, 0.249259 hours remaining, 235.734375 MB of memory in use. ENERGY: 4711200 4034.1169 20528.8480 14382.0422 254.0018 -203188.8850 2204.8388 0.0000 0.0000 51850.0312 -109935.0062 297.9828 -161785.0374 -109567.9875 298.5089 -120.6750 -91.5108 759971.1926 -10.5473 -10.4326 PRESSURE: 4711400 -12.2168 45.1128 -22.5151 45.1134 270.431 -202.247 -22.5153 -202.246 -190.074 GPRESSURE: 4711400 60.2374 17.8347 -0.286286 25.8547 296.487 -292.06 -71.261 -182.313 -217.564 PRESSAVG: 4711400 -34.1054 -48.8695 -71.9916 -48.8694 25.827 18.1707 -71.9915 18.1706 -1.56176 GPRESSAVG: 4711400 -32.9793 -47.4273 -71.7468 -47.4907 25.6231 17.2977 -75.0064 17.5385 -2.34732 TIMING: 4711400 CPU: 15197.7, 0.0031145/step Wall: 15197.7, 0.0031145/step, 0.249679 hours remaining, 235.734375 MB of memory in use. ENERGY: 4711400 4056.0828 20617.6332 14428.8058 252.1754 -203508.2562 2496.5284 0.0000 0.0000 51956.7675 -109700.2630 298.5963 -161657.0305 -109343.8887 298.9462 22.7137 46.3866 759762.9730 -3.2800 -3.2345 PRESSURE: 4711600 -146.617 -295.37 -278.946 -295.37 -122.094 -40.7505 -278.947 -40.7502 -9.21256 GPRESSURE: 4711600 -146.163 -281.674 -134.389 -267.489 -98.0861 -32.3174 -182.607 125.131 46.5134 PRESSAVG: 4711600 41.9798 -41.54 -57.9555 -41.54 -22.7721 -36.7348 -57.9556 -36.7348 -10.1088 GPRESSAVG: 4711600 41.3881 -42.1563 -55.5418 -43.0751 -22.6107 -36.4589 -55.8013 -36.7345 -9.55874 TIMING: 4711600 CPU: 15198.3, 0.00311664/step Wall: 15198.3, 0.00311664/step, 0.249677 hours remaining, 235.789062 MB of memory in use. ENERGY: 4711600 3953.1816 20449.0357 14351.1375 246.6093 -203470.9465 2593.4176 0.0000 0.0000 52175.8304 -109701.7344 299.8552 -161877.5648 -109328.2798 299.5527 -92.6412 -65.9119 760163.4396 3.0330 3.0729 PRESSURE: 4711800 -213.208 -115.011 -357.817 -115.011 -34.8214 32.5667 -357.818 32.5669 48.1236 GPRESSURE: 4711800 -197.179 -84.4406 -336.375 -76.5795 -14.8991 28.7603 -278.156 11.2267 88.1666 PRESSAVG: 4711800 -19.999 -64.5718 -93.9193 -64.5718 21.5994 -60.2808 -93.9193 -60.2808 -12.759 GPRESSAVG: 4711800 -17.9261 -65.3578 -96.7364 -62.6128 19.7919 -59.8024 -94.662 -61.0123 -12.99 TIMING: 4711800 CPU: 15198.9, 0.00312607/step Wall: 15198.9, 0.00312607/step, 0.250259 hours remaining, 235.789062 MB of memory in use. ENERGY: 4711800 3974.8453 20492.0635 14384.5374 244.6548 -203552.6008 2722.3978 0.0000 0.0000 52325.5694 -109408.5326 300.7158 -161734.1020 -109042.5842 299.3474 -66.6353 -41.3037 762305.5352 -3.7195 -3.7080 PRESSURE: 4712000 -12.3086 40.3943 316.237 40.3946 27.1303 -0.623304 316.238 -0.624881 322.978 GPRESSURE: 4712000 -3.86352 67.6388 257.902 75.9135 71.9341 0.103304 287.301 69.1436 351.206 PRESSAVG: 4712000 -10.1252 -33.9668 -101.084 -33.9667 29.9523 -16.169 -101.084 -16.169 -11.5726 GPRESSAVG: 4712000 -11.4925 -32.3351 -100.858 -34.1999 32.5991 -16.781 -100.265 -17.0413 -11.887 TIMING: 4712000 CPU: 15199.5, 0.00311834/step Wall: 15199.5, 0.00311834/step, 0.249467 hours remaining, 235.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4712000 3982.8450 20590.8897 14445.2000 251.8333 -203188.1885 2596.2476 0.0000 0.0000 51720.2184 -109600.9546 297.2368 -161321.1730 -109236.2544 299.2041 112.5997 139.7590 761155.9092 2.7515 3.0732 PRESSURE: 4712200 -63.6453 -45.6912 -163.802 -45.6905 -32.6651 -131.442 -163.802 -131.444 74.6835 GPRESSURE: 4712200 10.0709 -82.1789 -160.423 17.4662 -68.0941 -122.126 -323.662 -66.0898 111.865 PRESSAVG: 4712200 54.8061 -2.23002 -0.567337 -2.23002 -41.9533 11.5488 -0.567388 11.5487 -0.140413 GPRESSAVG: 4712200 55.6945 -2.34583 -0.480708 -1.8892 -43.2191 12.9433 -1.62385 14.0905 0.444094 TIMING: 4712200 CPU: 15200.1, 0.00312575/step Wall: 15200.1, 0.00312575/step, 0.249886 hours remaining, 235.789062 MB of memory in use. ENERGY: 4712200 4048.0174 20551.1323 14453.2670 258.6991 -203522.0590 2614.2462 0.0000 0.0000 52091.6352 -109505.0617 299.3713 -161596.6969 -109152.0368 299.1808 -7.2089 17.9473 759824.9757 4.2375 4.3065 LDB: ============= START OF LOAD BALANCING ============== 15212.6 LDB: ============== END OF LOAD BALANCING =============== 15212.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15212.6 LDB: ============= START OF LOAD BALANCING ============== 15212.9 LDB: Largest compute 7075 load 0.031709 is 16.2% of average load 0.195643 LDB: Average compute 0.004357 is 2.2% of average load 0.195643 LDB: TIME 15212.9 LOAD: AVG 0.195643 MAX 0.2149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 15212.9 LOAD: AVG 0.195643 MAX 0.2149 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.051 MB LDB: TIME 15212.9 LOAD: AVG 0.195643 MAX 0.2149 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.051 MB LDB: ============== END OF LOAD BALANCING =============== 15212.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15212.9 PRESSURE: 4712400 -4.28808 42.8313 34.6397 42.8311 -19.8904 -39.4901 34.6396 -39.4888 -121.266 GPRESSURE: 4712400 19.0218 78.5276 70.9284 121.052 -10.939 -121.229 -36.8966 -61.3981 -64.2107 PRESSAVG: 4712400 85.6994 -16.4986 -13.5887 -16.4986 -89.2101 19.8992 -13.5887 19.8992 19.6683 GPRESSAVG: 4712400 85.7925 -17.666 -11.8725 -17.3674 -88.8689 17.7681 -12.6835 17.5181 18.8012 TIMING: 4712400 CPU: 15200.8, 0.00319401/step Wall: 15200.8, 0.00319401/step, 0.255166 hours remaining, 236.164062 MB of memory in use. ENERGY: 4712400 3982.2662 20558.9895 14572.9369 240.2810 -203614.7166 2640.8972 0.0000 0.0000 51999.8313 -109619.5145 298.8437 -161619.3458 -109263.8553 299.4286 -48.4814 -18.7093 760854.5311 5.3859 5.2416 PRESSURE: 4712600 -108.377 -125.597 69.0572 -125.597 158.403 -124.468 69.0579 -124.467 -242.414 GPRESSURE: 4712600 -13.6991 -146.435 89.5036 -201.952 134.104 -135.853 -23.2881 -23.5966 -232.476 PRESSAVG: 4712600 19.6361 -49.4822 -24.4984 -49.4822 10.3141 -12.6077 -24.4984 -12.6078 -38.9865 GPRESSAVG: 4712600 19.4426 -49.4105 -25.9411 -48.3977 10.5343 -11.8281 -28.0099 -11.0494 -38.8882 TIMING: 4712600 CPU: 15201.4, 0.0031214/step Wall: 15201.4, 0.0031214/step, 0.249192 hours remaining, 236.367188 MB of memory in use. ENERGY: 4712600 4051.8631 20536.5491 14505.4790 237.3983 -203411.7891 2515.4775 0.0000 0.0000 52096.5847 -109468.4373 299.3998 -161565.0220 -109104.2784 299.2083 -64.1292 -37.3571 760580.4048 -3.0121 -2.9704 PRESSURE: 4712800 228.129 -123.014 227.392 -123.014 -45.2312 66.2759 227.392 66.2752 -23.7778 GPRESSURE: 4712800 189.544 -135.804 254.355 -266.253 41.7579 31.4866 197.054 114.012 31.1813 PRESSAVG: 4712800 22.5237 -66.8028 -55.3541 -66.8027 -46.7669 -17.779 -55.3541 -17.779 0.614876 GPRESSAVG: 4712800 22.7854 -65.2423 -54.479 -66.7314 -46.0481 -18.3648 -53.309 -17.9955 0.282308 TIMING: 4712800 CPU: 15202, 0.00311275/step Wall: 15202, 0.00311275/step, 0.248328 hours remaining, 236.527344 MB of memory in use. ENERGY: 4712800 3941.5195 20472.2858 14461.7214 251.2615 -203466.4026 2513.3550 0.0000 0.0000 52353.6102 -109472.6492 300.8769 -161826.2594 -109107.8654 299.0013 53.0399 87.4943 761138.9824 -7.8761 -7.6601 PRESSURE: 4713000 141.98 -4.50574 144.782 -4.50634 -341.968 -36.3376 144.782 -36.3387 1.72982 GPRESSURE: 4713000 143.725 -10.9758 116.282 75.8415 -276.068 32.7481 248.321 -84.9188 24.1577 PRESSAVG: 4713000 -25.9797 -50.8447 -18.2759 -50.8447 -3.78953 -25.6317 -18.2759 -25.6317 -22.9544 GPRESSAVG: 4713000 -25.2955 -50.4195 -16.3857 -51.7425 -5.17892 -23.6616 -17.9671 -28.7821 -22.1359 TIMING: 4713000 CPU: 15202.7, 0.00310404/step Wall: 15202.7, 0.00310404/step, 0.247461 hours remaining, 236.597656 MB of memory in use. ENERGY: 4713000 4031.2927 20546.9368 14423.9882 228.8914 -203552.6355 2499.3107 0.0000 0.0000 52357.3922 -109464.8236 300.8987 -161822.2157 -109108.7016 299.7507 -66.0861 -36.0619 759222.7823 -17.5746 -17.5368 PRESSURE: 4713200 328.196 88.2058 -351.27 88.2057 401.645 -142.296 -351.269 -142.297 -72.4906 GPRESSURE: 4713200 395.771 42.4285 -422.198 -11.1434 403.324 -137.689 -273.403 11.7113 -69.1219 PRESSAVG: 4713200 0.459898 -48.9282 -3.02923 -48.9282 -63.4917 10.6848 -3.02923 10.6848 2.07042 GPRESSAVG: 4713200 -0.022329 -50.0154 -4.99646 -49.4668 -61.9617 8.85043 -3.4905 15.3368 0.920764 TIMING: 4713200 CPU: 15203.3, 0.00312735/step Wall: 15203.3, 0.00312735/step, 0.249145 hours remaining, 236.597656 MB of memory in use. ENERGY: 4713200 4002.5036 20643.6589 14433.1969 264.2108 -203357.1972 2805.0295 0.0000 0.0000 52017.1999 -109191.3976 298.9436 -161208.5975 -108835.5709 299.0637 219.1168 243.3244 761836.4937 -20.3205 -20.3544 PRESSURE: 4713400 -44.8586 -9.51932 113.092 -9.51979 46.0375 38.9971 113.093 38.9972 -73.7264 GPRESSURE: 4713400 -52.6288 -176.628 171.481 -108.043 113.244 -24.7976 174.996 14.7762 -54.301 PRESSAVG: 4713400 28.0497 -87.7719 -30.0285 -87.7718 -47.1299 -1.13269 -30.0285 -1.13273 -3.75028 GPRESSAVG: 4713400 27.3955 -89.4766 -30.2763 -88.5978 -46.844 -1.06791 -27.1604 -2.55824 -3.52623 TIMING: 4713400 CPU: 15203.9, 0.0031339/step Wall: 15203.9, 0.0031339/step, 0.249493 hours remaining, 236.597656 MB of memory in use. ENERGY: 4713400 3999.4707 20633.4503 14415.9621 235.8604 -203072.3004 2414.0167 0.0000 0.0000 52061.3679 -109312.1722 299.1974 -161373.5401 -108947.8608 299.3167 -24.1825 2.1047 761593.8670 -7.6101 -7.6582 PRESSURE: 4713600 283.781 -78.5517 220.294 -78.552 -123.244 -133.475 220.296 -133.475 -186.234 GPRESSURE: 4713600 305.899 -57.8474 192.58 -124.197 -50.6295 -52.3645 260.454 -37.9384 -191.264 PRESSAVG: 4713600 25.6178 0.050958 5.52874 0.0510095 28.2339 15.4036 5.52877 15.4036 4.54552 GPRESSAVG: 4713600 27.0882 0.976863 6.22687 1.48066 27.3446 16.7423 5.55368 14.5968 4.66779 TIMING: 4713600 CPU: 15204.5, 0.00312546/step Wall: 15204.5, 0.00312546/step, 0.248648 hours remaining, 236.597656 MB of memory in use. ENERGY: 4713600 3974.7049 20685.0315 14473.5701 250.2737 -203180.7353 2554.6489 0.0000 0.0000 52069.4080 -109173.0980 299.2436 -161242.5060 -108811.4523 299.7870 -8.5656 21.3354 759840.0946 19.4658 19.7002 PRESSURE: 4713800 148.24 -97.7439 -266.166 -97.743 133.358 -1.28449 -266.167 -1.28446 -263.536 GPRESSURE: 4713800 90.7576 -49.5207 -293.266 -39.1065 281.78 31.3413 -428.307 110.966 -277.32 PRESSAVG: 4713800 -8.50513 2.83072 -7.66721 2.83075 -18.5078 -12.4159 -7.66719 -12.4159 -7.01637 GPRESSAVG: 4713800 -8.23358 2.75401 -8.52229 2.42857 -19.0356 -12.2053 -10.093 -11.7591 -7.16518 TIMING: 4713800 CPU: 15205.2, 0.00312788/step Wall: 15205.2, 0.00312788/step, 0.248666 hours remaining, 236.597656 MB of memory in use. ENERGY: 4713800 4012.6621 20711.6622 14435.1199 241.5829 -203315.8427 2483.8351 0.0000 0.0000 52381.7013 -109049.2792 301.0384 -161430.9805 -108689.2792 300.3767 6.0207 31.7392 759391.5487 -11.3431 -11.4781 PRESSURE: 4714000 133.782 -46.5211 34.0913 -46.5214 83.8589 195.228 34.0912 195.227 97.7121 GPRESSURE: 4714000 105.945 34.9005 24.2436 30.9536 93.9657 160.314 147.865 104.15 185.276 PRESSAVG: 4714000 -1.73944 -1.85503 17.9488 -1.85506 -16.0213 12.0963 17.9488 12.0962 16.8604 GPRESSAVG: 4714000 -3.29892 -1.05851 18.5913 -0.312912 -15.2693 9.91723 17.7623 11.9148 17.0485 TIMING: 4714000 CPU: 15205.8, 0.00312708/step Wall: 15205.8, 0.00312708/step, 0.248429 hours remaining, 236.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 4022.5627 20524.2526 14423.7643 221.9455 -203285.3667 2576.3818 0.0000 0.0000 52311.1910 -109205.2688 300.6331 -161516.4598 -108835.1317 299.7413 105.1176 128.3954 760950.0170 -0.3001 -0.5066 PRESSURE: 4714200 -110.726 -52.7293 -155.049 -52.73 -36.5565 217.729 -155.049 217.729 91.2182 GPRESSURE: 4714200 -73.7907 -128.261 -152.167 -158.086 2.67345 207.532 -76.0567 46.1913 102.47 PRESSAVG: 4714200 34.6607 -39.3819 30.735 -39.3819 -14.0611 44.9408 30.735 44.9408 -9.28014 GPRESSAVG: 4714200 35.0729 -40.3371 30.5731 -42.0864 -14.016 46.9356 32.8843 45.4597 -9.96787 TIMING: 4714200 CPU: 15206.4, 0.00312677/step Wall: 15206.4, 0.00312677/step, 0.248231 hours remaining, 236.597656 MB of memory in use. ENERGY: 4714200 3997.7960 20566.7849 14458.1959 252.4042 -203015.5654 2378.1729 0.0000 0.0000 52075.0174 -109287.1941 299.2758 -161362.2115 -108929.5936 299.7307 -18.6881 10.4508 760911.4764 3.7732 3.6964 PRESSURE: 4714400 75.8598 -97.8775 11.0043 -97.8778 328.371 -125.811 11.0046 -125.811 -328.663 GPRESSURE: 4714400 157.95 -149.364 -99.9639 -150.092 336.484 -64.9514 33.9937 -226.885 -350.455 PRESSAVG: 4714400 -37.8236 -48.1149 -14.7602 -48.1149 -3.08808 52.069 -14.7602 52.069 -19.8422 GPRESSAVG: 4714400 -38.4656 -49.8975 -13.9177 -48.647 -3.70738 52.8655 -16.6961 51.3219 -18.6547 TIMING: 4714400 CPU: 15207, 0.00314277/step Wall: 15207, 0.00314277/step, 0.249327 hours remaining, 236.597656 MB of memory in use. ENERGY: 4714400 3965.0995 20424.5673 14446.9700 219.3243 -203114.0049 2589.6721 0.0000 0.0000 52307.8733 -109160.4983 300.6141 -161468.3717 -108793.1846 299.7834 25.1893 47.9931 760591.8849 -20.2513 -20.2759 PRESSURE: 4714600 167.009 82.7144 227.495 82.7144 4.14791 -80.2213 227.494 -80.2209 84.8493 GPRESSURE: 4714600 219.951 114.145 245.317 63.0973 -17.1594 -125.411 92.6471 -54.786 137.009 PRESSAVG: 4714600 -27.6974 0.284404 -19.145 0.284397 -8.92307 -0.476374 -19.145 -0.476343 22.5784 GPRESSAVG: 4714600 -27.3658 3.45863 -18.8389 -0.575613 -8.55366 -2.33988 -16.7714 1.22016 21.8145 TIMING: 4714600 CPU: 15207.7, 0.00314212/step Wall: 15207.7, 0.00314212/step, 0.2491 hours remaining, 236.597656 MB of memory in use. ENERGY: 4714600 3991.8227 20385.7611 14465.3703 256.1359 -202827.2331 2174.5320 0.0000 0.0000 52433.1152 -109120.4960 301.3338 -161553.6112 -108754.4607 299.9784 85.3354 113.2668 760815.0334 -4.6807 -4.7016 PRESSURE: 4714800 -181.137 -186.828 8.28506 -186.829 -613.135 131.52 8.28543 131.52 97.7432 GPRESSURE: 4714800 -197.401 -126.105 -20.719 -263.162 -474.983 128.698 9.20882 22.0151 52.0616 PRESSAVG: 4714800 -24.2383 -18.8161 -44.4151 -18.8161 -18.549 -27.1817 -44.4151 -27.1817 7.76669 GPRESSAVG: 4714800 -24.6032 -19.9037 -46.7268 -17.1634 -18.0636 -24.2817 -46.3077 -29.8309 7.80876 TIMING: 4714800 CPU: 15208.3, 0.00313876/step Wall: 15208.3, 0.00313876/step, 0.24866 hours remaining, 236.597656 MB of memory in use. ENERGY: 4714800 4020.3426 20547.6478 14448.6657 241.6728 -202868.2717 2408.5243 0.0000 0.0000 51919.4502 -109281.9684 298.3818 -161201.4186 -108934.3328 299.4233 -232.1762 -206.7743 761651.1289 -11.6735 -11.6194 PRESSURE: 4715000 -222.578 -67.0516 -147.466 -67.051 -305.526 -44.015 -147.466 -44.0161 14.7426 GPRESSURE: 4715000 -68.6964 -95.0727 -79.8373 -182.834 -390.916 -29.1233 -63.2043 -80.6076 27.1318 PRESSAVG: 4715000 -1.9359 13.6258 -13.6162 13.6258 16.6342 -29.9831 -13.6162 -29.9831 -6.43416 GPRESSAVG: 4715000 -1.09627 14.4899 -10.8243 12.5807 15.2905 -31.2173 -14.0231 -28.7592 -6.1212 TIMING: 4715000 CPU: 15208.9, 0.00312249/step Wall: 15208.9, 0.00312249/step, 0.247197 hours remaining, 236.597656 MB of memory in use. ENERGY: 4715000 3985.8434 20531.9015 14424.4637 248.8202 -203007.5263 2415.5224 0.0000 0.0000 51928.3073 -109472.6679 298.4327 -161400.9752 -109101.6628 298.6583 -171.1205 -144.1604 761680.8982 2.7547 2.6910 PRESSURE: 4715200 -167.62 -24.8775 200.146 -24.8767 335.807 21.2263 200.146 21.2251 39.4736 GPRESSURE: 4715200 -93.2699 -90.5703 216.824 0.937086 336.353 -55.6389 102.962 218.181 68.6414 PRESSAVG: 4715200 -23.7457 17.8698 25.097 17.8697 -12.9102 4.45369 25.097 4.45375 7.59265 GPRESSAVG: 4715200 -22.4821 17.6205 23.8941 19.2228 -13.1079 4.16174 25.567 5.42966 6.67002 TIMING: 4715200 CPU: 15209.5, 0.00312077/step Wall: 15209.5, 0.00312077/step, 0.246887 hours remaining, 236.597656 MB of memory in use. ENERGY: 4715200 3987.4266 20378.9691 14447.9702 244.6897 -202886.8225 2499.0177 0.0000 0.0000 51905.5827 -109423.1665 298.3021 -161328.7492 -109069.0306 299.2045 69.2200 103.9082 762789.9272 -9.6877 -9.6400 PRESSURE: 4715400 -32.4954 -115.972 34.7019 -115.972 -138.987 37.3593 34.7022 37.3599 -512.753 GPRESSURE: 4715400 -74.1566 -129.638 6.80738 -177.039 -31.6235 61.8425 73.6535 -118.938 -493.988 PRESSAVG: 4715400 -48.0766 -45.5938 1.83172 -45.5938 -1.86406 35.0626 1.83167 35.0626 0.991118 GPRESSAVG: 4715400 -50.0062 -44.5212 0.538023 -45.5347 -1.08644 34.4569 2.28793 34.4133 1.55602 TIMING: 4715400 CPU: 15210.2, 0.00310617/step Wall: 15210.2, 0.00310617/step, 0.24556 hours remaining, 236.597656 MB of memory in use. ENERGY: 4715400 4027.8560 20466.3333 14448.3862 245.3741 -202870.0801 2263.9738 0.0000 0.0000 52050.4672 -109367.6894 299.1348 -161418.1566 -109005.2142 299.2868 -228.0784 -199.9228 761050.8421 -16.3165 -16.5122 PRESSURE: 4715600 -247.331 132.57 201.601 132.57 104.064 -98.1405 201.601 -98.1411 -92.5355 GPRESSURE: 4715600 -102.695 125.447 252.642 112.117 92.235 -77.3617 176.059 -100.429 -127.128 PRESSAVG: 4715600 -4.95986 -32.1116 3.01279 -32.1116 0.00897828 41.5313 3.01273 41.5312 -7.03219 GPRESSAVG: 4715600 -4.89996 -32.74 3.39649 -33.1676 -0.210535 42.1671 3.05002 41.5316 -7.27247 TIMING: 4715600 CPU: 15210.8, 0.00310253/step Wall: 15210.8, 0.00310253/step, 0.2451 hours remaining, 236.597656 MB of memory in use. ENERGY: 4715600 4047.0737 20559.4150 14408.9237 260.2353 -203128.6535 2635.8339 0.0000 0.0000 51965.8649 -109251.3071 298.6485 -161217.1720 -108893.1473 299.3477 -78.6006 -45.8626 761565.6113 -3.9944 -4.1277 PRESSURE: 4715800 -217.487 -314.881 -160.658 -314.882 -66.9375 239.895 -160.658 239.896 363.508 GPRESSURE: 4715800 -119.559 -241.711 -122.62 -289.419 -30.6469 235.78 -335.982 242.832 310.708 PRESSAVG: 4715800 13.7267 -69.5713 -32.3028 -69.5713 -56.8183 16.9656 -32.3027 16.9656 3.30219 GPRESSAVG: 4715800 14.3774 -68.5969 -31.9392 -70.8079 -57.3528 17.1518 -32.5538 16.2735 3.11172 TIMING: 4715800 CPU: 15211.4, 0.00311622/step Wall: 15211.4, 0.00311622/step, 0.246008 hours remaining, 236.597656 MB of memory in use. ENERGY: 4715800 4089.6677 20601.1360 14427.3659 248.6245 -203857.4304 3051.2103 0.0000 0.0000 52374.9973 -109064.4287 300.9998 -161439.4260 -108704.6087 300.1339 26.3610 53.5007 763608.9093 -13.2631 -13.2879 PRESSURE: 4716000 -491.768 40.1426 38.4193 40.1423 154.541 -119.487 38.419 -119.488 -102.512 GPRESSURE: 4716000 -455.185 -29.7172 -71.1187 50.9928 139.837 -121.964 -49.8711 -193.034 -49.6787 PRESSAVG: 4716000 -56.578 -57.7927 -46.6296 -57.7927 20.3361 -4.14985 -46.6296 -4.14991 -0.634009 GPRESSAVG: 4716000 -56.9523 -59.7672 -48.2554 -55.1599 20.6393 -6.23455 -46.526 -0.87537 -0.468246 TIMING: 4716000 CPU: 15212, 0.00312402/step Wall: 15212, 0.00312402/step, 0.24645 hours remaining, 236.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 3930.7046 20398.6984 14495.6218 253.5381 -203026.1451 2580.9012 0.0000 0.0000 52326.9175 -109039.7635 300.7235 -161366.6810 -108676.7393 299.9778 -146.5797 -121.6753 763281.1775 -12.2920 -12.2604 PRESSURE: 4716200 70.4534 -165.56 235.208 -165.56 -122.588 157.855 235.208 157.854 134.124 GPRESSURE: 4716200 22.9059 -123.67 162.038 -246.084 -50.412 163.839 241.687 197.266 194.839 PRESSAVG: 4716200 -1.00068 -42.1191 -20.5139 -42.1191 13.019 -0.780378 -20.514 -0.780361 -12.6846 GPRESSAVG: 4716200 -0.828602 -41.6805 -17.5878 -42.0786 12.9818 -0.0722152 -21.0493 -2.47432 -13.0308 TIMING: 4716200 CPU: 15212.7, 0.00313039/step Wall: 15212.7, 0.0031304/step, 0.24678 hours remaining, 236.597656 MB of memory in use. ENERGY: 4716200 4008.6794 20518.7144 14445.4002 237.0413 -203360.5764 2899.9435 0.0000 0.0000 52373.1604 -108877.6373 300.9893 -161250.7977 -108510.1680 300.1809 27.3301 55.7777 763821.4911 -0.2221 -0.2926 LDB: ============= START OF LOAD BALANCING ============== 15225.1 LDB: ============== END OF LOAD BALANCING =============== 15225.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15225.1 LDB: ============= START OF LOAD BALANCING ============== 15225.4 LDB: Largest compute 7049 load 0.030438 is 15.6% of average load 0.195620 LDB: Average compute 0.004353 is 2.2% of average load 0.195620 LDB: TIME 15225.4 LOAD: AVG 0.19562 MAX 0.214401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.914 MB LDB: TIME 15225.4 LOAD: AVG 0.19562 MAX 0.214401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 15225.4 LOAD: AVG 0.19562 MAX 0.214401 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 15225.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15225.4 PRESSURE: 4716400 -132.565 46.3334 16.941 46.3334 -507.57 -46.1943 16.9404 -46.1938 -572.018 GPRESSURE: 4716400 -141.231 -68.5875 -41.019 54.8511 -446.141 -79.4738 -5.51619 7.41914 -569.708 PRESSAVG: 4716400 33.746 7.13565 1.1195 7.13553 16.4747 30.7427 1.11954 30.7427 0.139906 GPRESSAVG: 4716400 31.5028 5.8417 0.713249 6.11213 17.6235 32.8681 1.84027 28.3639 1.17767 TIMING: 4716400 CPU: 15213.3, 0.00319859/step Wall: 15213.3, 0.00319858/step, 0.251977 hours remaining, 236.488281 MB of memory in use. ENERGY: 4716400 4020.4350 20633.3838 14482.2068 241.2268 -202907.8600 2386.2191 0.0000 0.0000 51939.1808 -109205.2077 298.4952 -161144.3885 -108853.0389 299.9002 -404.0513 -385.6936 762673.6383 16.7869 16.7680 PRESSURE: 4716600 31.3888 -256.243 -55.6751 -256.244 -134.357 120.185 -55.6758 120.184 36.0228 GPRESSURE: 4716600 30.5753 -268.037 -1.18375 -173.056 -97.4848 140.13 -144.876 37.2573 69.7003 PRESSAVG: 4716600 35.4559 -26.7173 40.4941 -26.7173 -59.0128 10.0985 40.4941 10.0985 14.9746 GPRESSAVG: 4716600 38.9225 -24.1605 39.5423 -27.1977 -61.0008 8.82904 40.8375 12.3169 13.0358 TIMING: 4716600 CPU: 15213.9, 0.00314215/step Wall: 15213.9, 0.00314215/step, 0.247357 hours remaining, 236.687500 MB of memory in use. ENERGY: 4716600 3971.7741 20519.5877 14462.0084 258.3710 -203582.2604 2793.4088 0.0000 0.0000 52174.2714 -109402.8390 299.8463 -161577.1103 -109039.4150 299.7161 -22.3150 0.9303 761432.3397 -2.8608 -3.0142 PRESSURE: 4716800 212.724 -50.9015 171.752 -50.9023 365.892 166.378 171.752 166.377 226.905 GPRESSURE: 4716800 238.771 -154.624 202.66 -15.1912 396.147 137.907 236.946 68.8601 261.645 PRESSAVG: 4716800 -28.8896 -26.1528 -46.1153 -26.1528 29.8933 42.9081 -46.1153 42.908 2.01712 GPRESSAVG: 4716800 -29.5196 -26.0057 -47.7318 -26.3487 30.6183 43.0833 -45.8732 42.044 2.36276 TIMING: 4716800 CPU: 15214.6, 0.00315865/step Wall: 15214.6, 0.00315865/step, 0.24848 hours remaining, 236.687500 MB of memory in use. ENERGY: 4716800 3966.7658 20450.8495 14492.4580 241.4555 -203556.1743 2947.0129 0.0000 0.0000 51962.3916 -109495.2412 298.6286 -161457.6328 -109143.6867 299.4088 268.5071 298.8546 761537.4009 1.0070 1.1538 PRESSURE: 4717000 88.0731 376.539 -264.495 376.539 42.3224 235.161 -264.494 235.162 303.299 GPRESSURE: 4717000 77.4295 257.625 -281.26 281.513 147.22 218.318 -261.81 259.994 259.778 PRESSAVG: 4717000 8.97969 -41.7595 -45.3452 -41.7595 10.3472 30.3002 -45.3452 30.3002 26.7944 GPRESSAVG: 4717000 8.98202 -44.7899 -43.0213 -40.5389 9.92031 29.6341 -48.461 30.5073 26.6993 TIMING: 4717000 CPU: 15215.2, 0.00313122/step Wall: 15215.2, 0.00313122/step, 0.246149 hours remaining, 236.687500 MB of memory in use. ENERGY: 4717000 4001.0320 20488.4421 14442.5472 267.9114 -203406.3308 2663.8273 0.0000 0.0000 51953.3445 -109589.2262 298.5766 -161542.5707 -109230.4269 299.0868 144.5649 161.4758 760719.1125 15.3738 15.2006 PRESSURE: 4717200 42.0516 -99.9869 38.6995 -99.9862 132.104 -89.5588 38.6992 -89.5599 -206.175 GPRESSURE: 4717200 66.7953 -104.572 -14.4188 -178.739 92.7118 -31.05 12.4391 -141.917 -115.924 PRESSAVG: 4717200 19.7283 -55.21 -25.5438 -55.2099 12.3334 30.9264 -25.5438 30.9263 -16.2187 GPRESSAVG: 4717200 20.9766 -55.4605 -26.2849 -54.4067 10.0264 31.4029 -25.1858 30.9261 -15.4478 TIMING: 4717200 CPU: 15215.8, 0.00311509/step Wall: 15215.8, 0.00311509/step, 0.244708 hours remaining, 236.687500 MB of memory in use. ENERGY: 4717200 3928.5293 20542.4329 14424.6782 250.0281 -203674.0705 2717.3498 0.0000 0.0000 51997.0133 -109814.0389 298.8276 -161811.0522 -109449.8798 298.8635 -10.6732 14.5276 761129.8560 5.2810 5.1850 PRESSURE: 4717400 -94.8886 -6.65413 141.675 -6.6542 -373.228 -31.7881 141.674 -31.7878 210.15 GPRESSURE: 4717400 -84.8038 66.9311 123.98 -52.4087 -296.3 -31.2635 252.692 20.3664 223.318 PRESSAVG: 4717400 18.3487 -46.8754 19.5545 -46.8754 -6.83627 -2.2511 19.5546 -2.25108 -12.949 GPRESSAVG: 4717400 17.6008 -45.2553 19.7734 -48.2083 -5.86594 -1.4966 18.9623 -2.22587 -13.1386 TIMING: 4717400 CPU: 15216.4, 0.00313576/step Wall: 15216.4, 0.00313576/step, 0.246157 hours remaining, 236.687500 MB of memory in use. ENERGY: 4717400 3894.1069 20505.8683 14443.4061 221.3322 -203337.1555 2463.2121 0.0000 0.0000 52072.2118 -109737.0181 299.2597 -161809.2300 -109363.9560 298.4317 -85.9890 -52.5950 760685.4217 -0.4788 -0.4679 PRESSURE: 4717600 303.931 42.602 201.358 42.6016 84.1018 -153.68 201.358 -153.679 234.008 GPRESSURE: 4717600 248.4 120.172 202.072 -51.8494 108.295 -191.07 209.068 -65.5872 347.85 PRESSAVG: 4717600 33.5437 -56.4826 93.2737 -56.4827 -13.4655 -24.3386 93.2737 -24.3386 21.9366 GPRESSAVG: 4717600 32.2516 -55.4728 93.6403 -56.6268 -13.1649 -25.2363 95.8456 -22.95 23.1208 TIMING: 4717600 CPU: 15217.1, 0.00315573/step Wall: 15217.1, 0.00315573/step, 0.247549 hours remaining, 236.757812 MB of memory in use. ENERGY: 4717600 3910.4148 20270.4650 14395.1736 243.8446 -203548.1142 2735.9971 0.0000 0.0000 52192.4570 -109799.7620 299.9508 -161992.2191 -109432.6858 298.5920 207.3470 234.8483 758404.4331 14.0049 14.0692 PRESSURE: 4717800 -148.953 -62.2176 150.412 -62.2184 -7.17616 -12.3964 150.413 -12.3962 -99.3748 GPRESSURE: 4717800 -91.1111 23.9736 132.484 -103.145 -68.5089 21.9595 111.677 -5.22986 -9.15699 PRESSAVG: 4717800 -22.387 15.2209 4.94917 15.221 33.5879 -12.0246 4.94917 -12.0246 26.6166 GPRESSAVG: 4717800 -23.8733 14.54 3.67368 15.9026 33.9356 -12.4942 3.9512 -13.2826 27.7558 TIMING: 4717800 CPU: 15217.7, 0.00313331/step Wall: 15217.7, 0.00313331/step, 0.245617 hours remaining, 236.757812 MB of memory in use. ENERGY: 4717800 4006.4602 20511.1963 14398.5765 234.9768 -203124.7464 2448.6550 0.0000 0.0000 51872.1248 -109652.7569 298.1098 -161524.8816 -109293.6545 298.8065 -85.1680 -56.2590 761636.9917 12.6058 12.6060 PRESSURE: 4718000 -40.6235 -53.7156 41.5425 -53.7147 60.4533 114.976 41.5432 114.976 271.501 GPRESSURE: 4718000 74.0961 -90.4522 -6.406 -25.9238 1.41472 14.3944 -81.339 27.213 279.651 PRESSAVG: 4718000 13.5399 11.5757 -35.5893 11.5758 -6.98896 12.5873 -35.5893 12.5873 6.10903 GPRESSAVG: 4718000 15.4222 10.5012 -36.232 11.5264 -6.82542 13.6632 -35.9854 12.0821 4.31922 TIMING: 4718000 CPU: 15218.3, 0.00314515/step Wall: 15218.3, 0.00314515/step, 0.24637 hours remaining, 236.757812 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: 4718000 3938.5278 20555.2898 14456.5029 219.7929 -203421.2981 2569.3851 0.0000 0.0000 52074.9260 -109606.8735 299.2753 -161681.7996 -109247.7303 298.4816 97.1102 118.3873 759745.1125 4.2200 4.3053 PRESSURE: 4718200 -379.054 47.1455 -212.686 47.1459 -375.747 29.8095 -212.685 29.8098 -112.678 GPRESSURE: 4718200 -319.051 13.2327 -170.097 -2.71923 -322.24 49.3961 -136.348 155.781 -139.194 PRESSAVG: 4718200 0.388967 -24.8857 -34.9668 -24.8857 -24.3931 1.39236 -34.9668 1.39235 -31.858 GPRESSAVG: 4718200 0.179395 -24.5469 -33.5967 -23.86 -24.3303 0.625215 -34.0326 1.54714 -32.0659 TIMING: 4718200 CPU: 15218.9, 0.00311568/step Wall: 15218.9, 0.00311568/step, 0.243889 hours remaining, 236.757812 MB of memory in use. ENERGY: 4718200 3962.7290 20456.9494 14475.8968 239.9179 -203138.4097 2325.4265 0.0000 0.0000 51876.5896 -109800.9006 298.1355 -161677.4901 -109440.9403 298.8267 -289.1595 -260.1619 760703.9714 -18.6207 -18.7389 PRESSURE: 4718400 -229.355 88.9201 -89.1145 88.9195 -134.542 -50.213 -89.1136 -50.2142 -97.5361 GPRESSURE: 4718400 -207.295 85.634 -38.9183 36.483 -51.6121 -64.7406 -188.087 168.452 -101.13 PRESSAVG: 4718400 6.1127 -30.3229 -37.0047 -30.323 39.7716 23.4947 -37.0047 23.4946 20.9155 GPRESSAVG: 4718400 6.58775 -29.3627 -37.8942 -32.1363 39.4881 22.8856 -36.8279 24.6317 21.071 TIMING: 4718400 CPU: 15219.6, 0.00311911/step Wall: 15219.6, 0.00311911/step, 0.243984 hours remaining, 236.757812 MB of memory in use. ENERGY: 4718400 3984.0156 20419.1671 14459.9234 268.7333 -202911.9915 2237.5737 0.0000 0.0000 51728.0293 -109814.5491 297.2817 -161542.5784 -109455.9548 298.2651 -153.8109 -120.0121 760584.6804 22.2666 22.3823 PRESSURE: 4718600 -239.548 -20.1324 237.01 -20.1324 13.3195 127.152 237.011 127.152 -390.041 GPRESSURE: 4718600 -264.697 17.2551 158.422 -5.01561 89.6793 140.606 193.551 -26.6047 -382.018 PRESSAVG: 4718600 9.64098 -27.9728 -77.1614 -27.9728 -38.8928 19.9337 -77.1614 19.9337 -23.9462 GPRESSAVG: 4718600 9.87621 -27.8543 -77.3809 -26.4402 -38.4439 20.4786 -77.7162 19.1059 -23.9595 TIMING: 4718600 CPU: 15220.2, 0.00311475/step Wall: 15220.2, 0.00311475/step, 0.243469 hours remaining, 236.757812 MB of memory in use. ENERGY: 4718600 3946.0147 20476.9181 14426.9965 247.5981 -203124.8670 2242.4336 0.0000 0.0000 52081.1944 -109703.7117 299.3113 -161784.9061 -109330.7029 298.3778 -205.4229 -185.6783 761061.4036 -17.7327 -17.5090 PRESSURE: 4718800 -48.0723 194.216 35.6828 194.216 128.234 -233.579 35.6827 -233.579 79.7263 GPRESSURE: 4718800 -51.1599 103.009 112.341 172.445 274.704 -220.596 127.535 -122.667 29.4907 PRESSAVG: 4718800 42.2294 35.2585 -18.9921 35.2586 -23.9869 45.8383 -18.9919 45.8384 8.71741 GPRESSAVG: 4718800 40.6361 34.0069 -18.9059 34.3849 -23.0495 46.1235 -18.5307 45.7887 9.36164 TIMING: 4718800 CPU: 15220.8, 0.00312204/step Wall: 15220.8, 0.00312204/step, 0.243866 hours remaining, 236.757812 MB of memory in use. ENERGY: 4718800 3965.5591 20589.1516 14425.7993 254.0638 -203575.8002 2603.1568 0.0000 0.0000 52140.4396 -109597.6299 299.6518 -161738.0695 -109235.1923 298.9115 53.2959 84.3449 760593.7692 8.9866 8.9827 PRESSURE: 4719000 -19.4118 -134.132 -74.9202 -134.132 237.491 105.964 -74.9197 105.964 34.9854 GPRESSURE: 4719000 62.0094 -155.371 -51.1108 -174.794 229.394 22.7153 -209.352 -3.3482 63.0773 PRESSAVG: 4719000 -22.9267 -1.97374 -25.704 -1.97375 43.9458 16.8809 -25.704 16.8809 11.3548 GPRESSAVG: 4719000 -21.9478 -0.389318 -25.6498 -2.09542 42.4903 16.0641 -26.2501 17.8836 11.5533 TIMING: 4719000 CPU: 15221.4, 0.00312567/step Wall: 15221.4, 0.00312567/step, 0.243976 hours remaining, 236.757812 MB of memory in use. ENERGY: 4719000 3927.9613 20545.9059 14394.1209 239.5355 -203468.1713 2605.1013 0.0000 0.0000 52132.6263 -109622.9200 299.6069 -161755.5463 -109260.7150 299.2249 84.3549 118.1601 760217.5922 10.7913 10.6986 PRESSURE: 4719200 -91.5723 118.776 272.956 118.777 -35.7521 13.5458 272.956 13.5476 -81.224 GPRESSURE: 4719200 -106.898 184.283 278.437 36.7745 43.3361 21.105 213.057 63.0275 -57.3337 PRESSAVG: 4719200 -8.52234 -79.1523 -24.5918 -79.1522 -11.5626 22.1711 -24.5917 22.1711 -12.5182 GPRESSAVG: 4719200 -9.09405 -80.1771 -23.1117 -81.0707 -10.9404 23.3899 -25.5925 19.8934 -13.3022 TIMING: 4719200 CPU: 15222.1, 0.00313522/step Wall: 15222.1, 0.00313522/step, 0.244547 hours remaining, 236.757812 MB of memory in use. ENERGY: 4719200 3997.9227 20409.7340 14446.7114 249.4540 -203629.3807 2644.3818 0.0000 0.0000 52234.3994 -109646.7772 300.1918 -161881.1766 -109270.7530 299.0449 -69.5161 -40.2984 760071.2829 -10.8677 -11.1122 PRESSURE: 4719400 131.44 137.89 -164.259 137.889 -79.3599 89.9269 -164.259 89.9255 -267.428 GPRESSURE: 4719400 97.639 232.951 -19.0357 206.966 -56.3659 117.441 -187.293 212.031 -165.114 PRESSAVG: 4719400 34.1797 -0.173035 -0.372459 -0.173064 -68.7596 -20.7766 -0.372481 -20.7765 -1.21867 GPRESSAVG: 4719400 34.5961 0.744684 -0.873049 1.11177 -67.985 -21.683 0.923296 -18.081 -2.46417 TIMING: 4719400 CPU: 15222.7, 0.00311199/step Wall: 15222.7, 0.00311199/step, 0.242562 hours remaining, 236.828125 MB of memory in use. ENERGY: 4719400 4050.7212 20511.6126 14512.9691 252.2642 -203396.4590 2679.9980 0.0000 0.0000 51962.7626 -109426.1313 298.6307 -161388.8940 -109065.9767 299.4604 -71.7827 -41.2802 761798.3386 -11.9329 -11.9510 PRESSURE: 4719600 186.884 26.5824 -247.44 26.5831 484.802 103.635 -247.44 103.633 273.575 GPRESSURE: 4719600 237.237 -10.6883 -247.068 19.961 485.034 24.3908 -136.783 179.988 290.545 PRESSAVG: 4719600 41.5365 43.2225 28.9617 43.2226 -10.1813 19.1186 28.9617 19.1187 9.21233 GPRESSAVG: 4719600 41.2644 43.9442 28.6662 44.3911 -10.2308 19.122 28.7489 17.9515 9.13964 TIMING: 4719600 CPU: 15223.3, 0.0031205/step Wall: 15223.3, 0.0031205/step, 0.243052 hours remaining, 236.828125 MB of memory in use. ENERGY: 4719600 3963.6128 20489.4393 14468.7828 248.8878 -203652.5043 2765.4535 0.0000 0.0000 52103.0961 -109613.2319 299.4372 -161716.3280 -109256.5684 299.6104 315.0870 337.6051 757912.7657 13.5225 13.3911 PRESSURE: 4719800 297.798 230.941 -7.81139 230.94 58.7077 -30.0054 -7.81097 -30.0042 -109.675 GPRESSURE: 4719800 387.106 288.049 50.6643 215.299 -3.38198 -54.0843 5.23238 -14.6321 -64.7704 PRESSAVG: 4719800 -15.7893 -5.62678 -55.5129 -5.62675 -13.0808 -17.7025 -55.5129 -17.7025 18.1584 GPRESSAVG: 4719800 -16.9899 -8.3342 -54.5606 -7.74381 -12.6342 -18.2251 -54.3298 -16.9754 18.9404 TIMING: 4719800 CPU: 15223.9, 0.0031347/step Wall: 15223.9, 0.0031347/step, 0.243984 hours remaining, 236.828125 MB of memory in use. ENERGY: 4719800 3985.8038 20514.3373 14444.6017 260.1972 -203715.0585 2846.0669 0.0000 0.0000 51968.7422 -109695.3093 298.6651 -161664.0515 -109344.7230 298.9735 82.2771 106.3178 759616.7388 -3.5706 -3.5612 PRESSURE: 4720000 -250.365 -165.92 64.4669 -165.919 -34.0221 176.891 64.4664 176.891 149.922 GPRESSURE: 4720000 -158.4 -150.233 53.4315 -96.9086 -19.3383 222.875 11.9389 253.485 129.151 PRESSAVG: 4720000 51.6022 -23.6246 -39.0904 -23.6246 -3.97706 -6.40837 -39.0904 -6.40842 22.3332 GPRESSAVG: 4720000 52.6105 -23.598 -39.0124 -21.7215 -5.00521 -5.39942 -40.3763 -8.02912 22.3613 TIMING: 4720000 CPU: 15224.6, 0.00314611/step Wall: 15224.6, 0.00314611/step, 0.244698 hours remaining, 236.828125 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: 4720000 4008.9535 20504.1936 14462.3838 233.4761 -203726.9718 2704.0529 0.0000 0.0000 52077.0185 -109736.8935 299.2873 -161813.9120 -109371.7410 299.5355 -44.8217 -16.1957 759239.6426 23.3194 23.3222 PRESSURE: 4720200 125.277 -45.3114 -41.5191 -45.3113 -30.4704 -119.934 -41.5195 -119.933 -0.566113 GPRESSURE: 4720200 185.914 1.65906 7.43152 1.52323 2.52653 -163.499 -54.8647 -135.545 -9.06479 PRESSAVG: 4720200 34.5242 -9.44071 -37.0951 -9.4407 -11.0468 6.90691 -37.0951 6.90686 -12.8296 GPRESSAVG: 4720200 34.7553 -10.6943 -37.5372 -7.91822 -11.465 7.27882 -35.8942 8.36106 -13.4873 TIMING: 4720200 CPU: 15225.2, 0.00314042/step Wall: 15225.2, 0.00314042/step, 0.244081 hours remaining, 236.828125 MB of memory in use. ENERGY: 4720200 3938.8068 20397.6336 14438.8376 241.8542 -203618.1412 2769.9345 0.0000 0.0000 52165.0214 -109666.0532 299.7931 -161831.0746 -109305.6820 299.0244 31.4134 59.7920 760914.9325 3.5492 3.2677 LDB: ============= START OF LOAD BALANCING ============== 15237.6 LDB: ============== END OF LOAD BALANCING =============== 15237.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15237.6 LDB: ============= START OF LOAD BALANCING ============== 15237.9 LDB: Largest compute 7062 load 0.031879 is 16.3% of average load 0.195661 LDB: Average compute 0.004363 is 2.2% of average load 0.195661 LDB: TIME 15237.9 LOAD: AVG 0.195661 MAX 0.216671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.703 MB LDB: TIME 15237.9 LOAD: AVG 0.195661 MAX 0.216671 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: TIME 15237.9 LOAD: AVG 0.195661 MAX 0.216671 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: ============== END OF LOAD BALANCING =============== 15237.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15237.9 PRESSURE: 4720400 -65.7846 100.702 53.2846 100.701 -422.406 -105.123 53.2847 -105.122 -232.207 GPRESSURE: 4720400 -33.181 133.24 -29.142 181.692 -392.198 79.4892 43.9286 -172.923 -191.837 PRESSAVG: 4720400 25.3091 -47.2712 -41.0659 -47.2712 -3.98927 -33.1682 -41.0659 -33.1683 -7.50073 GPRESSAVG: 4720400 25.6293 -45.6597 -40.5061 -45.9677 -4.00137 -32.1012 -41.8234 -35.3205 -7.22499 TIMING: 4720400 CPU: 15225.8, 0.00320777/step Wall: 15225.8, 0.00320777/step, 0.249137 hours remaining, 235.574219 MB of memory in use. ENERGY: 4720400 4014.2791 20310.7700 14443.7977 263.2688 -203298.7231 2596.8582 0.0000 0.0000 52029.2351 -109640.5143 299.0127 -161669.7494 -109279.4137 298.9698 -240.1326 -205.7385 761628.2956 4.6064 4.8010 PRESSURE: 4720600 25.0031 31.8207 -2.13537 31.8205 151.889 -61.2412 -2.13417 -61.2403 99.6805 GPRESSURE: 4720600 50.0827 44.6361 -65.6232 -17.3142 259.128 -132.085 49.9951 44.8234 51.8928 PRESSAVG: 4720600 -26.9751 -43.547 15.4571 -43.547 -22.2698 1.73181 15.4572 1.7319 4.21876 GPRESSAVG: 4720600 -26.5065 -43.4065 13.5292 -48.43 -22.2651 0.306996 16.4421 2.41445 3.69219 TIMING: 4720600 CPU: 15226.5, 0.00312903/step Wall: 15226.5, 0.00312903/step, 0.242847 hours remaining, 235.773438 MB of memory in use. ENERGY: 4720600 3901.3085 20498.6657 14438.7720 259.7172 -203586.4309 2683.7064 0.0000 0.0000 52013.8723 -109790.3887 298.9244 -161804.2611 -109416.7112 298.4216 92.1908 120.3678 760635.8793 -15.0087 -15.0265 PRESSURE: 4720800 -87.1911 84.0633 -227.745 84.0632 118.493 -64.9775 -227.745 -64.9777 460.981 GPRESSURE: 4720800 7.65557 12.3929 -267.501 -60.6662 171.989 -209.924 -129.778 -34.7402 386.817 PRESSAVG: 4720800 -36.0762 38.8107 -19.085 38.8106 -9.56201 -25.451 -19.0851 -25.451 4.38414 GPRESSAVG: 4720800 -36.931 37.9235 -17.2545 39.5874 -9.32479 -24.7433 -20.0831 -25.2862 5.29634 TIMING: 4720800 CPU: 15227.1, 0.00312834/step Wall: 15227.1, 0.00312834/step, 0.24262 hours remaining, 235.773438 MB of memory in use. ENERGY: 4720800 3877.4756 20431.2060 14488.4594 235.5358 -204107.7475 3147.2881 0.0000 0.0000 52032.9873 -109894.7954 299.0343 -161927.7827 -109523.9574 298.3847 164.0942 188.8203 760679.3547 -13.7514 -13.6532 PRESSURE: 4721000 -58.978 50.8614 -47.4204 50.8615 -167.913 -135.934 -47.4198 -135.935 67.9605 GPRESSURE: 4721000 40.7284 8.36085 -83.0279 83.9036 -135.156 -118.291 -72.284 -65.2703 9.78495 PRESSAVG: 4721000 -1.39202 16.9504 45.859 16.9504 31.4177 -17.393 45.859 -17.393 6.24312 GPRESSAVG: 4721000 0.349913 17.4411 44.8453 18.0909 30.0079 -17.9107 47.2755 -16.2668 5.52052 TIMING: 4721000 CPU: 15227.7, 0.00313506/step Wall: 15227.7, 0.00313506/step, 0.242967 hours remaining, 235.773438 MB of memory in use. ENERGY: 4721000 3999.4515 20415.9109 14454.5114 253.7961 -203415.5352 2554.8109 0.0000 0.0000 51877.4812 -109859.5732 298.1406 -161737.0544 -109489.7583 298.7976 -52.9769 -28.2142 761187.7716 12.0896 11.9594 PRESSURE: 4721200 -87.4164 -70.7285 158.727 -70.7284 -57.318 21.7902 158.728 21.7901 54.0467 GPRESSURE: 4721200 -73.9786 -140.886 250.495 28.5162 -8.85158 103.282 259.243 93.7059 78.4698 PRESSAVG: 4721200 31.5536 17.8337 30.8818 17.8338 -48.2081 -13.3945 30.8818 -13.3944 0.718907 GPRESSAVG: 4721200 30.8292 19.9743 30.9324 17.1171 -46.7549 -11.9178 31.4112 -16.5501 0.23256 TIMING: 4721200 CPU: 15228.3, 0.00313997/step Wall: 15228.3, 0.00313997/step, 0.243174 hours remaining, 235.773438 MB of memory in use. ENERGY: 4721200 3917.8075 20475.6586 14467.4311 247.2296 -203695.0370 2723.0443 0.0000 0.0000 51889.9404 -109973.9254 298.2122 -161863.8658 -109619.2396 298.6929 -30.2293 -1.4535 760335.7531 -5.3118 -5.2311 PRESSURE: 4721400 -4.46525 -77.334 56.9906 -77.3343 -350.939 137.251 56.9899 137.25 -98.8803 GPRESSURE: 4721400 56.6566 8.74601 113.999 -68.3822 -276.78 105.315 42.341 52.8344 -146.153 PRESSAVG: 4721400 43.4094 -19.7918 22.7516 -19.7917 -50.164 -5.49873 22.7517 -5.49873 -14.7948 GPRESSAVG: 4721400 42.2063 -22.2611 22.7258 -17.4745 -49.9831 -8.0744 20.8209 -2.88622 -13.8218 TIMING: 4721400 CPU: 15229, 0.00312418/step Wall: 15229, 0.00312418/step, 0.241776 hours remaining, 235.773438 MB of memory in use. ENERGY: 4721400 3938.4780 20497.1583 14416.1583 223.1610 -203092.5765 2286.0023 0.0000 0.0000 51919.6836 -109811.9349 298.3831 -161731.6186 -109456.3341 298.6630 -151.4280 -122.0921 760002.3764 -7.1832 -7.1995 PRESSURE: 4721600 -282.558 72.9373 -154.389 72.9374 -209.307 53.8179 -154.39 53.8178 197.024 GPRESSURE: 4721600 -234.754 53.0098 -156.907 63.7364 -230.681 -0.744257 -231.84 10.5782 261.195 PRESSAVG: 4721600 -13.946 -52.7402 -6.70435 -52.7402 -9.87853 -48.372 -6.70434 -48.372 5.41366 GPRESSAVG: 4721600 -12.343 -54.3717 -8.25885 -54.9338 -12.6612 -46.7752 -5.11409 -48.25 5.93556 TIMING: 4721600 CPU: 15229.6, 0.00313649/step Wall: 15229.6, 0.00313649/step, 0.242555 hours remaining, 235.773438 MB of memory in use. ENERGY: 4721600 3965.9127 20454.6326 14427.6073 235.2118 -203039.4073 2340.5894 0.0000 0.0000 51756.7033 -109858.7503 297.4465 -161615.4536 -109498.4819 298.5505 -98.2801 -68.0799 761149.8405 -6.1370 -6.3562 PRESSURE: 4721800 248.778 36.5813 -11.0357 36.5814 94.8588 344.416 -11.0363 344.416 -74.1252 GPRESSURE: 4721800 331.491 -15.3593 64.599 47.6204 91.8221 342.694 17.3535 132.563 -79.7258 PRESSAVG: 4721800 23.2129 -4.12745 -17.4506 -4.12746 -30.0427 13.5337 -17.4506 13.5337 10.8682 GPRESSAVG: 4721800 21.6068 -2.40876 -16.6748 -4.82914 -27.958 11.9738 -19.1025 12.4504 9.87291 TIMING: 4721800 CPU: 15230.2, 0.00312591/step Wall: 15230.2, 0.00312591/step, 0.241564 hours remaining, 235.773438 MB of memory in use. ENERGY: 4721800 3982.0490 20501.1481 14473.2120 249.0661 -203922.7860 2825.3289 0.0000 0.0000 52172.4316 -109719.5502 299.8357 -161891.9818 -109361.4259 298.4110 89.8372 114.5291 760029.3080 1.3461 1.1739 PRESSURE: 4722000 -0.2869 154.721 45.9563 154.721 87.6009 -55.6497 45.9566 -55.6496 -187.258 GPRESSURE: 4722000 1.88582 86.0064 63.1414 149.675 140.926 -111.498 -6.12673 -96.8054 -155.73 PRESSAVG: 4722000 0.14519 13.7734 30.4283 13.7734 -11.2148 -2.48958 30.4283 -2.48957 18.6757 GPRESSAVG: 4722000 0.508865 14.7486 31.7498 15.0313 -11.944 -2.04783 29.8332 -0.941117 19.1114 TIMING: 4722000 CPU: 15230.8, 0.00310285/step Wall: 15230.8, 0.00310285/step, 0.239609 hours remaining, 235.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4722000 4003.6949 20431.8933 14448.3840 235.0577 -203513.2969 2623.7210 0.0000 0.0000 52064.5601 -109705.9858 299.2157 -161770.5460 -109347.2195 298.8507 -33.3147 -4.3063 759133.3049 2.5353 2.5588 PRESSURE: 4722200 -125.772 -9.47954 -136.109 -9.48008 -414.234 137.791 -136.109 137.791 187.526 GPRESSURE: 4722200 -98.5578 -96.6952 -34.1007 88.6704 -309.819 87.6145 -53.0499 24.1673 125.455 PRESSAVG: 4722200 34.6442 -0.496682 -13.5092 -0.496597 -66.0858 -24.3823 -13.5093 -24.3822 -8.42635 GPRESSAVG: 4722200 35.066 -3.14573 -14.8602 1.02814 -65.0521 -24.7931 -12.1376 -23.864 -9.47994 TIMING: 4722200 CPU: 15231.5, 0.00310773/step Wall: 15231.5, 0.00310772/step, 0.239813 hours remaining, 235.773438 MB of memory in use. ENERGY: 4722200 4028.7920 20549.5175 14469.3321 223.7694 -203553.8640 2579.4390 0.0000 0.0000 51867.8745 -109835.1396 298.0854 -161703.0140 -109475.5574 299.0420 -117.4933 -94.3074 761214.8460 -13.2893 -13.1554 PRESSURE: 4722400 -433.319 53.8529 38.8662 53.8537 224.443 152.895 38.8657 152.895 257.992 GPRESSURE: 4722400 -278.114 90.3211 -70.6069 21.8563 220.016 71.264 -0.861312 150.966 212.783 PRESSAVG: 4722400 0.0721008 0.492846 -15.5838 0.49283 -24.7809 70.8578 -15.5838 70.8578 17.1727 GPRESSAVG: 4722400 1.16145 1.97461 -15.4567 -2.89297 -23.9712 70.3417 -15.7283 70.4335 15.9054 TIMING: 4722400 CPU: 15232.1, 0.00311665/step Wall: 15232.1, 0.00311665/step, 0.240328 hours remaining, 235.773438 MB of memory in use. ENERGY: 4722400 3962.8718 20234.8236 14442.3809 205.0076 -203758.5265 2773.7867 0.0000 0.0000 52145.7387 -109993.9171 299.6823 -162139.6559 -109630.9291 298.6043 16.3721 51.5615 759732.7049 -2.5120 -2.3015 PRESSURE: 4722600 -308.326 71.1974 -72.2383 71.1975 -501.013 279.921 -72.2377 279.921 73.7832 GPRESSURE: 4722600 -289.242 67.3844 -121.764 90.3259 -404.141 234.324 102.413 226.333 41.8858 PRESSAVG: 4722600 14.2196 -9.36305 26.2631 -9.36309 -10.0942 22.0316 26.2631 22.0316 5.90039 GPRESSAVG: 4722600 12.8795 -8.13756 25.1767 -7.50921 -10.8028 23.3604 25.1027 21.4078 7.99753 TIMING: 4722600 CPU: 15232.7, 0.00314339/step Wall: 15232.7, 0.00314339/step, 0.242216 hours remaining, 235.773438 MB of memory in use. ENERGY: 4722600 3992.1840 20533.4062 14432.4930 236.0109 -202864.0703 2158.0312 0.0000 0.0000 51833.9053 -109678.0397 297.8902 -161511.9450 -109313.8854 298.4100 -245.1855 -217.1659 761679.6779 3.3419 3.3581 PRESSURE: 4722800 -107.094 59.5301 -141.411 59.5285 -248.156 -97.0642 -141.411 -97.064 -349.411 GPRESSURE: 4722800 -66.8679 -31.698 -110.27 58.0939 -211.041 10.9443 -118.298 -41.5828 -355.688 PRESSAVG: 4722800 -14.8097 -31.6697 1.26628 -31.6697 -10.5831 38.4999 1.26631 38.4999 14.7352 GPRESSAVG: 4722800 -14.0547 -31.0245 3.29635 -32.2783 -10.2171 39.1979 2.4807 38.7083 13.7236 TIMING: 4722800 CPU: 15233.3, 0.00311787/step Wall: 15233.3, 0.00311787/step, 0.240076 hours remaining, 235.773438 MB of memory in use. ENERGY: 4722800 3985.7106 20283.6241 14413.6607 256.0445 -203196.9681 2201.2714 0.0000 0.0000 52291.6098 -109765.0470 300.5206 -162056.6568 -109388.9035 298.4567 -234.8872 -211.1988 760556.0284 -3.5525 -3.5161 PRESSURE: 4723000 -219.602 209.471 -183.385 209.471 -484.094 139.003 -183.385 139.002 84.4963 GPRESSURE: 4723000 -209.572 261.283 -252.346 135.31 -373.625 180.542 -283.183 147.561 64.5204 PRESSAVG: 4723000 -7.02798 -79.5237 -29.2872 -79.5236 -6.13752 -4.24194 -29.2871 -4.24198 5.06828 GPRESSAVG: 4723000 -7.42632 -80.1667 -30.5708 -79.1409 -5.48149 -4.12144 -29.8874 -5.06718 5.35748 TIMING: 4723000 CPU: 15234, 0.00313271/step Wall: 15234, 0.00313271/step, 0.241045 hours remaining, 235.773438 MB of memory in use. ENERGY: 4723000 4045.9103 20466.2699 14474.5284 232.4839 -203480.8260 2552.2880 0.0000 0.0000 51883.2866 -109826.0590 298.1740 -161709.3456 -109461.6704 298.2581 -206.3997 -172.8919 761073.4504 -2.6991 -2.5168 PRESSURE: 4723200 -52.0093 -102.404 163.792 -102.404 169.941 13.6711 163.792 13.6718 -18.7734 GPRESSURE: 4723200 -9.0555 -66.3635 206.629 -305.686 191.191 50.0542 184.956 -32.1039 -6.91244 PRESSAVG: 4723200 23.8501 -43.5903 7.98056 -43.5903 20.3764 -33.7171 7.98056 -33.7171 -15.0324 GPRESSAVG: 4723200 24.225 -43.288 9.48612 -44.8994 19.8916 -34.0528 8.32776 -34.3093 -14.9914 TIMING: 4723200 CPU: 15234.6, 0.00315677/step Wall: 15234.6, 0.00315677/step, 0.24272 hours remaining, 235.773438 MB of memory in use. ENERGY: 4723200 3998.1177 20330.6161 14524.8985 257.5627 -203427.2451 2411.6145 0.0000 0.0000 52085.7472 -109818.6884 299.3375 -161904.4356 -109453.3800 298.6824 33.0526 58.4077 759669.6839 9.7314 9.7084 PRESSURE: 4723400 199.859 40.2537 133.741 40.2533 62.2054 190.07 133.741 190.07 241.322 GPRESSURE: 4723400 221.433 -5.80314 174.825 32.7446 144.778 162.523 93.3976 193.899 233.032 PRESSAVG: 4723400 28.0317 -21.2504 -36.9158 -21.2504 -17.3416 31.0543 -36.9159 31.0543 -4.05628 GPRESSAVG: 4723400 27.5469 -21.9016 -37.7322 -19.5278 -17.9374 30.5949 -37.1776 33.1349 -3.60829 TIMING: 4723400 CPU: 15235.2, 0.00313194/step Wall: 15235.2, 0.00313194/step, 0.240637 hours remaining, 235.773438 MB of memory in use. ENERGY: 4723400 3942.4481 20596.7123 14470.9506 260.6861 -203584.6668 2561.2363 0.0000 0.0000 51856.3842 -109896.2492 298.0194 -161752.6334 -109530.0554 298.7566 167.7953 199.7478 759636.3247 2.2113 2.0004 PRESSURE: 4723600 111.276 56.0055 -124.58 56.0071 138.074 -237.508 -124.581 -237.507 118.047 GPRESSURE: 4723600 162.405 54.7325 -93.6733 -49.7852 76.3113 -175.975 -95.3967 -296.2 199.762 PRESSAVG: 4723600 -2.19376 -35.8202 -37.8121 -35.8202 -39.5469 -53.0713 -37.8121 -53.0713 -5.45048 GPRESSAVG: 4723600 -3.59681 -35.1394 -37.6483 -36.8506 -39.2231 -53.402 -37.4111 -52.7328 -4.47417 TIMING: 4723600 CPU: 15235.9, 0.00313583/step Wall: 15235.9, 0.00313583/step, 0.240762 hours remaining, 235.773438 MB of memory in use. ENERGY: 4723600 3962.9726 20507.5435 14453.7553 256.5944 -203407.5581 2584.4906 0.0000 0.0000 51892.5283 -109749.6733 298.2271 -161642.2017 -109390.6963 298.7524 122.4657 146.1593 759494.6779 -15.7304 -15.7647 PRESSURE: 4723800 39.3213 139.099 42.6472 139.1 -95.3192 -11.3231 42.6476 -11.3225 54.6862 GPRESSURE: 4723800 171.105 99.7646 11.0662 51.8214 -156.283 -26.0207 78.0614 0.439478 81.4571 PRESSAVG: 4723800 -8.88385 3.51236 31.5212 3.51231 8.54238 -17.4562 31.5212 -17.4561 -9.3095 GPRESSAVG: 4723800 -6.94604 1.48226 31.5722 4.64899 7.47986 -17.5353 29.6145 -19.0002 -9.75173 TIMING: 4723800 CPU: 15236.5, 0.0031337/step Wall: 15236.5, 0.0031337/step, 0.240424 hours remaining, 235.773438 MB of memory in use. ENERGY: 4723800 3971.6663 20352.8577 14408.0412 248.1487 -203778.7121 2778.1495 0.0000 0.0000 52036.7941 -109983.0547 299.0562 -162019.8488 -109620.2114 298.5352 -0.4372 32.0929 759989.5408 -3.2170 -3.0726 PRESSURE: 4724000 757.82 13.0332 90.2761 13.0326 146.017 -15.0572 90.2769 -15.0577 577.26 GPRESSURE: 4724000 815.469 57.7582 -34.4363 85.8804 217.285 32.1304 55.1387 -107.5 520.587 PRESSAVG: 4724000 52.3104 -23.1993 33.959 -23.1993 -59.5177 -48.1842 33.959 -48.1842 19.9173 GPRESSAVG: 4724000 52.4307 -22.068 32.9159 -22.5752 -59.4773 -48.4948 34.0443 -48.7556 19.7118 TIMING: 4724000 CPU: 15237.1, 0.0031245/step Wall: 15237.1, 0.0031245/step, 0.239545 hours remaining, 235.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4724000 3992.0297 20337.0040 14473.4542 254.9977 -203940.9170 2957.5840 0.0000 0.0000 52059.7239 -109866.1234 299.1879 -161925.8473 -109502.3035 298.3251 493.6989 517.7800 756879.6353 4.2367 4.2217 PRESSURE: 4724200 14.3953 -22.0445 297.382 -22.0448 -224.662 -99.3826 297.382 -99.3829 -132.614 GPRESSURE: 4724200 118.085 -43.0757 281.845 13.1717 -301.326 -192.202 278.424 -9.92022 -64.9255 PRESSAVG: 4724200 31.7929 -39.301 31.6566 -39.3011 15.5317 -60.7606 31.6566 -60.7607 3.76037 GPRESSAVG: 4724200 31.1906 -40.1864 32.1897 -39.7437 15.8625 -61.7629 31.2341 -57.5301 4.01538 TIMING: 4724200 CPU: 15237.7, 0.00312914/step Wall: 15237.7, 0.00312914/step, 0.239727 hours remaining, 235.773438 MB of memory in use. ENERGY: 4724200 4076.4073 20444.8546 14387.2396 248.7372 -203676.2753 2662.6531 0.0000 0.0000 52179.9729 -109676.4106 299.8790 -161856.3835 -109319.7577 298.5701 -114.2938 -82.7220 759213.9086 17.0283 17.0228 LDB: ============= START OF LOAD BALANCING ============== 15250.1 LDB: ============== END OF LOAD BALANCING =============== 15250.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15250.2 LDB: ============= START OF LOAD BALANCING ============== 15250.5 LDB: Largest compute 7037 load 0.031360 is 16.0% of average load 0.195685 LDB: Average compute 0.004367 is 2.2% of average load 0.195685 LDB: TIME 15250.5 LOAD: AVG 0.195685 MAX 0.213438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 15250.5 LOAD: AVG 0.195685 MAX 0.213438 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: TIME 15250.5 LOAD: AVG 0.195685 MAX 0.213438 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: ============== END OF LOAD BALANCING =============== 15250.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15250.5 PRESSURE: 4724400 -151.198 -110.931 116.978 -110.932 -135.248 -28.1425 116.978 -28.1432 -91.1456 GPRESSURE: 4724400 -185.806 -38.6033 73.1367 -4.42924 -91.1692 -27.4407 208.308 -25.8297 -24.3436 PRESSAVG: 4724400 2.5209 11.1965 61.8853 11.1965 -32.3423 -42.0173 61.8852 -42.0174 -5.31355 GPRESSAVG: 4724400 2.77911 11.2636 61.5286 10.5394 -33.394 -40.8093 63.4546 -44.8597 -4.75664 TIMING: 4724400 CPU: 15238.4, 0.00320089/step Wall: 15238.4, 0.00320089/step, 0.245046 hours remaining, 234.371094 MB of memory in use. ENERGY: 4724400 3962.8484 20428.4618 14440.7065 237.5282 -203206.9965 2387.2870 0.0000 0.0000 52148.8648 -109601.2998 299.7002 -161750.1646 -109232.6302 298.9221 -125.8640 -100.4395 760316.2214 -11.7116 -11.7905 PRESSURE: 4724600 217.104 194.968 -59.1588 194.969 -290.846 35.3039 -59.1584 35.3035 -55.5787 GPRESSURE: 4724600 188.509 129.814 -91.4607 217.011 -205.349 33.47 3.68252 12.8722 -16.8793 PRESSAVG: 4724600 -9.90181 -21.6859 10.6003 -21.6859 35.6787 -11.581 10.6003 -11.5811 -10.3395 GPRESSAVG: 4724600 -10.0504 -20.7205 10.2609 -19.5169 36.6985 -10.9897 11.1394 -11.7979 -11.2877 TIMING: 4724600 CPU: 15239, 0.00311389/step Wall: 15239, 0.00311389/step, 0.238213 hours remaining, 234.441406 MB of memory in use. ENERGY: 4724600 4006.0415 20494.3545 14363.2811 239.2857 -202851.5932 2175.6614 0.0000 0.0000 51781.5126 -109791.4564 297.5891 -161572.9689 -109425.0824 298.8618 -43.1068 -11.2395 760385.6863 5.1458 5.1201 PRESSURE: 4724800 -189.653 -54.2092 -144.098 -54.2093 -64.3326 -88.8466 -144.097 -88.8455 -61.3552 GPRESSURE: 4724800 -186.455 -39.5793 -183.674 -37.1116 -11.8789 -138.794 -158.526 -128.646 -20.392 PRESSAVG: 4724800 79.0629 -35.7214 -10.2882 -35.7214 -73.5086 -70.2134 -10.2882 -70.2133 -32.7757 GPRESSAVG: 4724800 78.8854 -37.79 -9.52495 -37.9313 -73.009 -72.4013 -10.7837 -67.2152 -33.2894 TIMING: 4724800 CPU: 15239.6, 0.00309776/step Wall: 15239.6, 0.00309776/step, 0.236807 hours remaining, 234.441406 MB of memory in use. ENERGY: 4724800 3956.2222 20575.9419 14484.1946 255.4289 -203415.8153 2530.2816 0.0000 0.0000 51862.9770 -109750.7690 298.0572 -161613.7460 -109382.6591 298.8079 -105.1137 -72.9087 760200.4079 -9.0738 -9.1377 PRESSURE: 4725000 -87.5695 -64.7235 177.876 -64.7245 -204.639 -12.8509 177.877 -12.8528 547.573 GPRESSURE: 4725000 -14.6785 -56.6089 184.878 -104.9 -217.498 -96.6609 190.758 -1.25066 567.187 PRESSAVG: 4725000 -18.397 -1.72589 -12.5286 -1.7259 8.11728 -35.7513 -12.5286 -35.7513 -1.33293 GPRESSAVG: 4725000 -18.5237 1.53562 -12.1247 -2.98534 7.44375 -35.879 -11.9491 -36.0046 0.142048 TIMING: 4725000 CPU: 15240.2, 0.0031051/step Wall: 15240.2, 0.0031051/step, 0.237195 hours remaining, 234.441406 MB of memory in use. ENERGY: 4725000 3969.5324 20419.7907 14424.3739 258.6138 -203683.8681 2811.7855 0.0000 0.0000 52065.2230 -109734.5487 299.2196 -161799.7717 -109368.4921 298.6578 85.1214 111.6701 761534.8617 -3.8709 -3.6460 PRESSURE: 4725200 -348.093 40.1987 43.5703 40.198 148.207 -26.1 43.5699 -26.099 16.1023 GPRESSURE: 4725200 -218.888 91.869 91.6921 -51.808 71.9311 15.5602 -6.56348 -90.1022 44.1562 PRESSAVG: 4725200 6.57551 -13.854 2.15686 -13.854 -15.2952 -5.70891 2.15681 -5.70892 24.6401 GPRESSAVG: 4725200 6.61722 -15.1839 3.21764 -12.9007 -15.2425 -5.90837 0.159607 -7.23603 24.4357 TIMING: 4725200 CPU: 15240.9, 0.00311548/step Wall: 15240.9, 0.00311548/step, 0.237815 hours remaining, 234.441406 MB of memory in use. ENERGY: 4725200 4017.4484 20625.9591 14333.6491 256.3312 -203598.9624 2623.1907 0.0000 0.0000 51785.2475 -109957.1364 297.6105 -161742.3838 -109606.5337 298.7905 -61.2612 -34.2671 760728.5299 5.3068 5.2701 PRESSURE: 4725400 -36.0573 -102.633 -228.603 -102.633 72.1758 14.0353 -228.603 14.0352 27.1838 GPRESSURE: 4725400 53.254 -90.9698 -291.319 -40.4635 108.728 51.9707 -83.643 66.7948 -2.11175 PRESSAVG: 4725400 37.3395 -24.0847 -41.925 -24.0848 -25.1297 -25.576 -41.9249 -25.5761 2.62595 GPRESSAVG: 4725400 38.0518 -24.6862 -42.7787 -23.5853 -25.2126 -23.5981 -41.8105 -25.6986 1.91892 TIMING: 4725400 CPU: 15241.5, 0.00312136/step Wall: 15241.5, 0.00312136/step, 0.238091 hours remaining, 234.441406 MB of memory in use. ENERGY: 4725400 4039.4302 20423.1706 14417.0730 259.7013 -203472.7585 2497.7353 0.0000 0.0000 52087.9841 -109747.6640 299.3504 -161835.6481 -109384.1636 298.6425 21.1008 53.2903 759714.5294 4.9452 4.9194 PRESSURE: 4725600 25.5386 38.3938 89.9977 38.3931 374.44 -175.726 89.9972 -175.725 216.196 GPRESSURE: 4725600 -17.0862 -2.56411 -12.1603 -9.947 425.367 -138.939 116.447 -106.7 290.16 PRESSAVG: 4725600 33.1468 20.8103 8.27596 20.8103 -2.42791 37.8807 8.27594 37.8807 -9.032 GPRESSAVG: 4725600 33.2648 21.4666 8.6486 21.6988 -2.77801 36.3023 8.03554 36.5783 -9.10318 TIMING: 4725600 CPU: 15242.1, 0.00313862/step Wall: 15242.1, 0.00313862/step, 0.239232 hours remaining, 234.441406 MB of memory in use. ENERGY: 4725600 4035.5209 20548.2580 14359.6592 246.0021 -203404.6723 2764.6173 0.0000 0.0000 51786.1255 -109664.4893 297.6156 -161450.6149 -109312.7009 298.5490 205.3917 232.8138 759141.7638 7.2290 7.1279 PRESSURE: 4725800 168.757 -89.499 31.7433 -89.4996 -85.9 140.605 31.743 140.606 -227.487 GPRESSURE: 4725800 188.639 -8.80971 59.1099 -51.858 -29.3636 129.181 -28.5538 179.451 -203.99 PRESSAVG: 4725800 -16.2523 75.6546 7.03345 75.6546 8.55722 14.3674 7.0335 14.3674 -3.42765 GPRESSAVG: 4725800 -17.4412 74.8701 4.97269 74.9849 9.41421 16.4712 9.3566 16.3174 -3.15994 TIMING: 4725800 CPU: 15242.7, 0.00312506/step Wall: 15242.7, 0.00312506/step, 0.238025 hours remaining, 234.441406 MB of memory in use. ENERGY: 4725800 4039.2902 20471.7066 14451.2773 220.7354 -203376.0549 2646.4275 0.0000 0.0000 51787.8301 -109758.7877 297.6254 -161546.6178 -109393.9720 298.7241 -48.2101 -14.9048 760188.5438 -3.7076 -3.7290 PRESSURE: 4726000 33.8567 22.9734 -291.804 22.9729 -39.57 76.957 -291.803 76.9574 428.776 GPRESSURE: 4726000 91.1311 87.1167 -220.324 56.7336 5.12612 33.4648 -451.509 53.913 443.613 PRESSAVG: 4726000 -15.5934 15.8935 26.1503 15.8936 34.1177 17.5731 26.1503 17.5731 11.6221 GPRESSAVG: 4726000 -15.3521 16.3309 26.9311 15.8989 33.1844 16.7996 25.1217 17.1966 12.5788 TIMING: 4726000 CPU: 15243.4, 0.00310854/step Wall: 15243.4, 0.00310854/step, 0.236595 hours remaining, 234.441406 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: 4726000 3986.3538 20614.3261 14374.5414 239.3504 -203707.2454 2795.5945 0.0000 0.0000 52105.3680 -109591.7112 299.4503 -161697.0792 -109229.6736 299.2775 141.0207 179.9569 761298.6205 10.0488 10.1370 PRESSURE: 4726200 -2.54083 -68.9576 95.4031 -68.9578 -117.064 135.033 95.4035 135.033 266.999 GPRESSURE: 4726200 25.6029 -57.1726 130.112 -130.216 -70.8669 78.2617 37.1403 165.468 263.184 PRESSAVG: 4726200 60.3379 -25.859 9.30436 -25.859 -35.0655 32.9478 9.30442 32.9478 19.1157 GPRESSAVG: 4726200 61.0369 -24.4607 8.67997 -26.0961 -35.3651 31.8369 12.8652 32.1815 18.452 TIMING: 4726200 CPU: 15244, 0.00310716/step Wall: 15244, 0.00310716/step, 0.236317 hours remaining, 234.441406 MB of memory in use. ENERGY: 4726200 3922.1771 20542.2343 14422.1730 248.0264 -203580.7497 2824.1602 0.0000 0.0000 52102.4833 -109519.4953 299.4337 -161621.9787 -109157.8470 299.2892 49.1315 72.6400 761421.2009 14.7960 14.7079 PRESSURE: 4726400 48.8401 35.9516 25.7028 35.9522 -517.462 51.5949 25.7016 51.5946 -127.414 GPRESSURE: 4726400 27.9209 13.3854 53.9665 -9.52916 -424.716 141.147 54.5485 -32.7482 -123.211 PRESSAVG: 4726400 -5.12853 -16.7286 9.71975 -16.7286 -22.2887 27.6022 9.7198 27.6022 -17.4448 GPRESSAVG: 4726400 -6.73958 -18.2656 12.012 -16.6808 -20.6575 29.3244 4.30468 27.2052 -17.7167 TIMING: 4726400 CPU: 15244.6, 0.00311602/step Wall: 15244.6, 0.00311602/step, 0.236817 hours remaining, 234.441406 MB of memory in use. ENERGY: 4726400 3974.5720 20573.9819 14377.0433 250.4711 -203267.9843 2505.8858 0.0000 0.0000 51857.2021 -109728.8279 298.0241 -161586.0301 -109372.0192 298.6901 -198.6786 -173.3352 761742.3082 -14.9540 -15.0379 PRESSURE: 4726600 -262.261 -78.2339 140.326 -78.2345 -198.531 -158.951 140.325 -158.952 -258.832 GPRESSURE: 4726600 -254.197 25.286 84.6898 -28.8225 -85.002 -182.681 198.773 -248.116 -321.331 PRESSAVG: 4726600 30.3739 -42.7202 29.5636 -42.7202 -50.4024 41.5662 29.5636 41.5662 -5.1324 GPRESSAVG: 4726600 30.5748 -42.2468 29.4945 -42.3477 -50.2088 39.7058 32.1477 43.1993 -5.50603 TIMING: 4726600 CPU: 15245.2, 0.00310307/step Wall: 15245.2, 0.00310307/step, 0.235661 hours remaining, 234.441406 MB of memory in use. ENERGY: 4726600 3923.7238 20408.8615 14404.1982 246.3354 -202991.8152 2234.6844 0.0000 0.0000 51949.4497 -109824.5622 298.5542 -161774.0119 -109451.8000 298.7304 -239.8747 -220.1767 761746.8206 -8.3870 -8.3800 PRESSURE: 4726800 -4.21864 132.955 -252.196 132.955 296.25 -5.64691 -252.197 -5.64706 95.7381 GPRESSURE: 4726800 60.2202 167.642 -185.435 119.809 284.743 -9.15933 -216.143 -36.0301 140.136 PRESSAVG: 4726800 -22.9376 -17.8152 -11.6502 -17.8152 52.3375 -42.5154 -11.6503 -42.5156 -12.8633 GPRESSAVG: 4726800 -22.2752 -17.9182 -12.5444 -19.0133 50.9271 -42.4264 -11.2522 -44.5237 -11.8162 TIMING: 4726800 CPU: 15245.8, 0.00310134/step Wall: 15245.8, 0.00310134/step, 0.235357 hours remaining, 234.441406 MB of memory in use. ENERGY: 4726800 3928.9410 20519.4854 14403.6159 233.6443 -203200.4639 2478.7825 0.0000 0.0000 51883.0581 -109752.9367 298.1726 -161635.9948 -109394.3088 298.2374 129.2563 161.6996 761353.8877 5.5122 5.6119 PRESSURE: 4727000 -287.297 -122.641 -127.126 -122.64 -411.028 123.874 -127.126 123.873 18.8869 GPRESSURE: 4727000 -293.681 -128.206 -73.8975 -49.9221 -430.156 98.7251 -75.6381 129.862 128.213 PRESSAVG: 4727000 -8.4611 14.4162 16.8007 14.4161 -26.1742 8.50194 16.8007 8.5019 6.69269 GPRESSAVG: 4727000 -8.2155 14.4767 17.3557 17.1274 -25.694 6.93962 16.3555 9.68118 6.39435 TIMING: 4727000 CPU: 15246.5, 0.00311162/step Wall: 15246.5, 0.00311162/step, 0.235964 hours remaining, 234.441406 MB of memory in use. ENERGY: 4727000 3890.7516 20534.6995 14385.2983 253.2547 -203332.3220 2526.0777 0.0000 0.0000 51725.1873 -110017.0529 297.2654 -161742.2402 -109657.4756 298.2346 -226.4792 -198.5411 760730.6602 -9.3142 -9.1717 PRESSURE: 4727200 -143.951 -39.2391 117.206 -39.2393 -132.448 -28.5813 117.205 -28.5808 17.5967 GPRESSURE: 4727200 -121.113 -47.0103 102.901 -74.026 -9.31336 -96.6 203.854 -69.4077 -45.2986 PRESSAVG: 4727200 -32.1956 15.3075 2.0797 15.3075 24.8218 -7.82776 2.07969 -7.82772 8.70125 GPRESSAVG: 4727200 -32.2097 14.9535 1.70412 13.6236 23.8407 -5.33701 0.622473 -7.72213 9.23109 TIMING: 4727200 CPU: 15247.1, 0.00310438/step Wall: 15247.1, 0.00310438/step, 0.235243 hours remaining, 234.441406 MB of memory in use. ENERGY: 4727200 3965.5935 20505.3980 14338.7426 238.5170 -203494.0053 2562.5096 0.0000 0.0000 51804.7589 -110078.4857 297.7227 -161883.2446 -109716.5754 298.2139 -86.2672 -58.5749 761623.3384 0.4425 0.2874 PRESSURE: 4727400 -153.303 -250.564 -71.801 -250.564 284.797 13.1678 -71.8014 13.1686 -39.4239 GPRESSURE: 4727400 -64.7042 -57.7485 -19.1808 -214.213 249.784 -12.6095 -73.501 10.6495 -29.3719 PRESSAVG: 4727400 -35.4505 -32.1422 51.2547 -32.1422 74.2543 6.95613 51.2547 6.95621 6.11913 GPRESSAVG: 4727400 -36.7305 -32.1376 51.3318 -30.2322 75.0069 7.5122 51.2467 5.00987 6.02742 TIMING: 4727400 CPU: 15247.7, 0.00311854/step Wall: 15247.7, 0.00311854/step, 0.236143 hours remaining, 234.441406 MB of memory in use. ENERGY: 4727400 3984.2372 20474.2642 14390.0739 259.9178 -203588.5649 2547.2787 0.0000 0.0000 51940.6070 -109992.1862 298.5034 -161932.7932 -109634.5143 298.7120 30.6898 51.9026 761566.3880 14.9743 14.7679 PRESSURE: 4727600 121.547 -111.259 -117.617 -111.26 -491.822 -56.8084 -117.618 -56.808 -273.773 GPRESSURE: 4727600 10.1149 -202.13 -144.59 -116.35 -291.641 -98.8476 -135.194 -19.4303 -269.066 PRESSAVG: 4727600 -53.321 -29.1329 39.2286 -29.1328 66.7416 4.73148 39.2286 4.73155 -1.0145 GPRESSAVG: 4727600 -53.0337 -30.1721 38.5427 -32.2203 67.8589 4.50549 40.9423 6.42115 -2.44408 TIMING: 4727600 CPU: 15248.3, 0.00311134/step Wall: 15248.3, 0.00311134/step, 0.235425 hours remaining, 234.441406 MB of memory in use. ENERGY: 4727600 3935.9701 20476.4312 14402.2015 244.0371 -203534.9341 2763.3402 0.0000 0.0000 51789.7265 -109923.2275 297.6363 -161712.9540 -109556.9848 298.7011 -214.6826 -183.5306 760996.5023 4.1354 4.1271 PRESSURE: 4727800 38.7441 179.475 -11.5144 179.475 263.37 -19.999 -11.5146 -19.9992 -9.11734 GPRESSURE: 4727800 71.4614 219.133 -89.2871 194.281 331.212 -5.46502 -2.48243 -79.9669 -14.1644 PRESSAVG: 4727800 66.1466 -12.8697 -21.1238 -12.8697 -26.9374 -3.66703 -21.1238 -3.66708 6.68337 GPRESSAVG: 4727800 67.8665 -12.7186 -20.0491 -9.67699 -29.1286 -3.9281 -22.091 -0.896424 7.28665 TIMING: 4727800 CPU: 15249, 0.00311264/step Wall: 15249, 0.00311264/step, 0.23535 hours remaining, 234.441406 MB of memory in use. ENERGY: 4727800 3961.2467 20511.6574 14341.7098 244.4976 -203797.9405 2615.5982 0.0000 0.0000 52253.8121 -109869.4186 300.3034 -162123.2308 -109499.8723 298.5879 97.6655 129.5031 760741.3472 15.2975 15.3415 PRESSURE: 4728000 -195.687 -78.3078 -47.0142 -78.3077 -286.406 12.9165 -47.0142 12.9173 -48.6579 GPRESSURE: 4728000 -181.853 -49.9119 -71.8826 -8.13739 -194.648 25.3778 -145.708 -70.5632 -77.0414 PRESSAVG: 4728000 9.32186 -20.0675 28.6024 -20.0676 -12.4278 29.9969 28.6024 29.997 -17.5672 GPRESSAVG: 4728000 8.17716 -17.8844 27.8714 -21.4146 -11.3793 30.7052 30.0204 26.3584 -17.6655 TIMING: 4728000 CPU: 15249.6, 0.00312864/step Wall: 15249.6, 0.00312864/step, 0.236386 hours remaining, 234.441406 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: 4728000 4022.0520 20574.0343 14381.7947 238.2448 -203564.8276 2670.7846 0.0000 0.0000 51906.2791 -109771.6383 298.3061 -161677.9173 -109416.4311 299.2614 -176.9170 -151.1807 760731.5671 -6.8910 -6.9559 PRESSURE: 4728200 -254.122 53.4522 164.482 53.452 -133.887 -68.7917 164.481 -68.7911 -42.5311 GPRESSURE: 4728200 -82.9891 -69.7366 165.094 -38.1177 -225.426 -143.069 107.791 -24.983 -36.2953 PRESSAVG: 4728200 26.8061 12.693 4.38648 12.693 -20.6319 25.6957 4.38652 25.6957 21.9472 GPRESSAVG: 4728200 25.823 9.16951 5.10339 12.9789 -21.1408 24.8185 2.59529 24.7327 23.6072 TIMING: 4728200 CPU: 15250.2, 0.00313559/step Wall: 15250.2, 0.00313559/step, 0.236737 hours remaining, 234.441406 MB of memory in use. ENERGY: 4728200 4091.2074 20517.6775 14367.0714 220.8234 -203150.5536 2392.3257 0.0000 0.0000 51768.4445 -109793.0036 297.5140 -161561.4481 -109430.8476 299.1053 -143.5133 -114.9034 760113.7629 9.3738 9.4298 LDB: ============= START OF LOAD BALANCING ============== 15262.6 LDB: ============== END OF LOAD BALANCING =============== 15262.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15262.6 LDB: ============= START OF LOAD BALANCING ============== 15262.9 LDB: Largest compute 7049 load 0.030640 is 15.7% of average load 0.195622 LDB: Average compute 0.004361 is 2.2% of average load 0.195622 LDB: TIME 15262.9 LOAD: AVG 0.195622 MAX 0.215535 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 15262.9 LOAD: AVG 0.195622 MAX 0.215535 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 15262.9 LOAD: AVG 0.195622 MAX 0.215535 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 15262.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15262.9 PRESSURE: 4728400 -322.555 -127.643 22.3751 -127.643 -27.9573 39.4224 22.3747 39.4233 -229.908 GPRESSURE: 4728400 -306.745 -8.92626 -53.6815 -55.6327 20.9377 79.5346 82.1932 -17.1314 -195.955 PRESSAVG: 4728400 29.1659 27.9499 -7.89723 27.9499 -45.2052 -21.9639 -7.89727 -21.9638 -29.9546 GPRESSAVG: 4728400 30.8605 30.0571 -8.24156 27.6908 -44.9269 -21.3158 -4.38246 -20.4849 -31.8765 TIMING: 4728400 CPU: 15250.8, 0.00318824/step Wall: 15250.8, 0.00318824/step, 0.240535 hours remaining, 234.996094 MB of memory in use. ENERGY: 4728400 4004.7863 20460.0677 14431.5976 243.7777 -203245.8429 2209.6027 0.0000 0.0000 52163.4857 -109732.5251 299.7843 -161896.0108 -109369.6943 299.4476 -193.4736 -160.5872 760265.8085 -15.3313 -15.3143 PRESSURE: 4728600 -323.465 -81.4022 -35.7663 -81.4018 274.078 308.866 -35.7655 308.867 -159.189 GPRESSURE: 4728600 -121.249 -59.376 6.7081 -160.628 264.33 319.156 141.976 179.862 -267.306 PRESSAVG: 4728600 55.8447 -23.3952 10.6649 -23.3952 -57.6715 6.98603 10.665 6.98607 -7.47699 GPRESSAVG: 4728600 55.4487 -21.6519 10.4211 -23.1175 -57.3822 6.25007 8.01214 7.19205 -7.36859 TIMING: 4728600 CPU: 15251.5, 0.00312701/step Wall: 15251.5, 0.00312701/step, 0.235742 hours remaining, 234.996094 MB of memory in use. ENERGY: 4728600 3989.0400 20518.2107 14418.7329 225.3579 -203445.3836 2281.8672 0.0000 0.0000 52241.1905 -109770.9843 300.2308 -162012.1748 -109403.7298 299.2594 -69.5252 -41.4085 759778.1384 -3.1013 -3.1007 PRESSURE: 4728800 434.805 -159.346 56.4067 -159.346 80.0914 155.636 56.4071 155.635 138.579 GPRESSURE: 4728800 390.784 -168.112 161.906 -140.686 196.724 121.633 113.588 118.653 153.54 PRESSAVG: 4728800 29.1493 -64.9372 29.9007 -64.9372 -17.0057 -21.5253 29.9008 -21.5253 17.1324 GPRESSAVG: 4728800 28.89 -67.1933 30.1421 -64.2372 -16.8638 -23.0632 30.512 -20.9537 17.0861 TIMING: 4728800 CPU: 15252.1, 0.00314978/step Wall: 15252.1, 0.00314978/step, 0.237284 hours remaining, 235.253906 MB of memory in use. ENERGY: 4728800 4040.2265 20485.6172 14450.8461 256.4877 -203463.8669 2550.1846 0.0000 0.0000 51730.3181 -109950.1866 297.2948 -161680.5048 -109591.4370 299.2385 217.8253 247.0158 760767.3989 9.7587 9.7041 PRESSURE: 4729000 -187.607 -10.5382 -71.2262 -10.5384 48.7489 -173.102 -71.2269 -173.102 -257.77 GPRESSURE: 4729000 -173.064 60.3138 -76.9892 -13.664 49.0307 -114.684 -173.157 -126.123 -194.981 PRESSAVG: 4729000 -39.1967 38.5613 -9.1478 38.5612 41.7729 11.5677 -9.14778 11.5676 -20.1689 GPRESSAVG: 4729000 -38.2236 37.6838 -8.78574 37.0207 40.666 14.5241 -9.48069 9.03339 -19.5956 TIMING: 4729000 CPU: 15252.7, 0.0031552/step Wall: 15252.7, 0.0031552/step, 0.237516 hours remaining, 235.253906 MB of memory in use. ENERGY: 4729000 3985.3944 20642.1747 14463.9727 259.6680 -203397.2855 2487.6014 0.0000 0.0000 51915.2755 -109643.1988 298.3578 -161558.4743 -109283.7183 298.9631 -132.2094 -106.3381 762455.1563 -5.8642 -5.7177 PRESSURE: 4729200 -45.7229 -176.058 -84.781 -176.058 191.967 -128.712 -84.7806 -128.712 -80.2557 GPRESSURE: 4729200 0.885517 -184.014 -62.8362 -74.1675 141.322 -86.2696 -33.4969 -121.009 13.1447 PRESSAVG: 4729200 26.2335 -9.73222 1.08732 -9.73218 -21.4853 -54.2002 1.08736 -54.2003 4.03009 GPRESSAVG: 4729200 26.4427 -8.98595 0.920266 -6.0104 -21.4186 -55.4728 0.791497 -51.9356 4.48294 TIMING: 4729200 CPU: 15253.4, 0.0031332/step Wall: 15253.4, 0.0031332/step, 0.235687 hours remaining, 235.253906 MB of memory in use. ENERGY: 4729200 3986.3525 20702.4610 14427.2436 241.5857 -203517.1615 2521.9298 0.0000 0.0000 52026.1380 -109611.4510 298.9949 -161637.5890 -109259.5155 298.9225 21.9961 51.7842 761912.3812 2.9261 3.1690 PRESSURE: 4729400 319.653 16.5967 66.7508 16.5965 243.39 72.6915 66.7513 72.6918 553.315 GPRESSURE: 4729400 339.971 159.418 36.0467 27.2248 356.219 53.5437 105.53 69.6624 501.066 PRESSAVG: 4729400 44.9955 -34.6398 -18.2552 -34.6399 -22.4423 -17.3192 -18.2551 -17.3192 -4.51691 GPRESSAVG: 4729400 44.7325 -33.3533 -18.1436 -36.7221 -20.5168 -16.9654 -16.9563 -17.4212 -6.00325 TIMING: 4729400 CPU: 15254, 0.00313759/step Wall: 15254, 0.00313759/step, 0.235842 hours remaining, 235.253906 MB of memory in use. ENERGY: 4729400 3943.9545 20603.1964 14472.4627 254.2504 -203835.2190 2729.6260 0.0000 0.0000 52148.9622 -109682.7667 299.7008 -161831.7289 -109324.9907 299.4392 372.1194 399.0854 757778.4224 6.0121 6.0708 PRESSURE: 4729600 -107.522 -11.0007 -103.697 -11.0015 83.4739 12.1664 -103.697 12.1667 -351.217 GPRESSURE: 4729600 -91.3829 -2.54974 12.8993 -39.1948 74.099 -39.008 -66.8269 -65.8308 -279.734 PRESSAVG: 4729600 14.1239 -46.3027 -35.4123 -46.3027 25.1744 -48.9533 -35.4123 -48.9533 -13.7208 GPRESSAVG: 4729600 14.2933 -46.0522 -35.5601 -46.737 24.0072 -48.8701 -36.6144 -50.2397 -12.1747 TIMING: 4729600 CPU: 15254.6, 0.00313221/step Wall: 15254.6, 0.00313221/step, 0.235264 hours remaining, 235.253906 MB of memory in use. ENERGY: 4729600 4008.1009 20495.7064 14458.5268 250.8274 -203507.6842 2594.7746 0.0000 0.0000 52303.1093 -109396.6387 300.5867 -161699.7481 -109028.3184 299.4177 -125.0883 -99.0059 761110.7913 8.5258 8.7086 PRESSURE: 4729800 76.6455 -4.66511 61.3012 -4.6663 216.178 -68.5009 61.3015 -68.5001 29.1382 GPRESSURE: 4729800 177.894 -27.7895 38.7066 35.4017 196.215 0.437711 34.4896 -115.732 9.21932 PRESSAVG: 4729800 -3.22346 -10.3389 36.2518 -10.3389 32.1753 0.585546 36.2519 0.585637 34.0327 GPRESSAVG: 4729800 -2.28398 -12.5226 36.7213 -9.38467 33.0925 0.112131 35.7002 1.68866 32.4073 TIMING: 4729800 CPU: 15255.2, 0.00312407/step Wall: 15255.2, 0.00312407/step, 0.234479 hours remaining, 235.253906 MB of memory in use. ENERGY: 4729800 3984.7907 20593.5562 14518.9162 234.5907 -203191.9100 2549.7630 0.0000 0.0000 51837.0315 -109473.2616 297.9081 -161310.2931 -109103.5192 299.2381 107.3205 127.7761 762046.8392 20.9949 21.0719 PRESSURE: 4730000 -199.494 -30.8698 144.132 -30.8701 -33.1636 202.685 144.132 202.685 -204.649 GPRESSURE: 4730000 -209.893 -32.4304 241.517 -42.5479 16.5714 148.449 -38.2546 250.545 -138.587 PRESSAVG: 4730000 42.2887 -33.9604 -5.82468 -33.9605 11.1419 -1.32542 -5.82472 -1.32542 -10.37 GPRESSAVG: 4730000 41.7253 -30.7016 -6.52705 -33.3852 9.64413 -0.906101 -6.91515 -2.30561 -8.25793 TIMING: 4730000 CPU: 15255.9, 0.00312733/step Wall: 15255.9, 0.00312733/step, 0.23455 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 4034.3103 20524.2125 14429.2206 251.2145 -203471.0834 2494.7249 0.0000 0.0000 52185.4215 -109551.9791 299.9103 -161737.4006 -109196.2664 299.6664 -145.7689 -110.6362 761593.6653 14.3535 14.3705 PRESSURE: 4730200 427.346 167.455 -33.6615 167.455 32.2484 139.154 -33.6616 139.153 394.074 GPRESSURE: 4730200 437.769 148.399 10.4525 169.283 68.8604 48.0516 -149.931 265.179 434.281 PRESSAVG: 4730200 64.53 -19.0476 6.70998 -19.0476 -62.7022 4.00292 6.70995 4.00287 -22.3169 GPRESSAVG: 4730200 63.4295 -21.8903 6.80077 -15.2962 -61.5892 3.17849 8.42699 5.32325 -22.4619 TIMING: 4730200 CPU: 15256.5, 0.00311602/step Wall: 15256.5, 0.00311602/step, 0.233528 hours remaining, 235.253906 MB of memory in use. ENERGY: 4730200 4037.5028 20753.8029 14471.7157 235.2674 -203407.5020 2613.0420 0.0000 0.0000 51906.2225 -109389.9488 298.3058 -161296.1713 -109043.0294 299.6152 284.5561 313.6366 760555.3829 -6.8297 -6.8739 PRESSURE: 4730400 14.1274 54.0566 -110.256 54.056 -156.755 107.12 -110.256 107.121 223.482 GPRESSURE: 4730400 122.47 -65.588 -103.187 53.7744 -145.839 123.376 74.1815 69.9197 166.24 PRESSAVG: 4730400 42.0226 -61.5327 19.3647 -61.5327 -3.47768 18.7859 19.3647 18.786 22.3226 GPRESSAVG: 4730400 42.3437 -59.4239 21.1328 -66.0252 -3.94956 20.2863 18.1596 15.9312 22.466 TIMING: 4730400 CPU: 15257.1, 0.0031133/step Wall: 15257.1, 0.0031133/step, 0.233152 hours remaining, 235.253906 MB of memory in use. ENERGY: 4730400 3913.8378 20724.0735 14422.7793 250.6752 -202995.8647 2319.1202 0.0000 0.0000 52050.1949 -109315.1838 299.1332 -161365.3787 -108962.1711 299.3996 26.9515 47.6234 762093.0644 20.2892 20.2867 PRESSURE: 4730600 -189.383 -93.5377 144.806 -93.5379 42.0864 -134.585 144.806 -134.585 -303.441 GPRESSURE: 4730600 -163.816 13.8928 150.367 -201.805 72.2707 -178.22 176.707 -157.332 -278.599 PRESSAVG: 4730600 16.6443 -20.3546 27.9956 -20.3546 -37.43 -19.3625 27.9956 -19.3624 -3.04794 GPRESSAVG: 4730600 18.5719 -20.3924 27.0374 -20.9348 -38.1206 -21.2614 29.7465 -18.0871 -4.45391 TIMING: 4730600 CPU: 15257.7, 0.00312445/step Wall: 15257.7, 0.00312445/step, 0.233813 hours remaining, 235.269531 MB of memory in use. ENERGY: 4730600 4002.1064 20414.4135 14475.3390 233.4819 -203361.4157 2486.1569 0.0000 0.0000 52123.4393 -109626.4788 299.5541 -161749.9181 -109267.6189 299.5430 -150.2460 -123.3816 762511.9628 -7.9445 -8.0008 PRESSURE: 4730800 104.363 49.7018 143.026 49.7021 136.996 217.949 143.027 217.948 -171.797 GPRESSURE: 4730800 -24.5446 -68.4634 207.809 94.9275 207.269 169.281 124.179 163.142 -29.3295 PRESSAVG: 4730800 -14.7467 -61.4763 -20.1931 -61.4764 -22.3186 16.7984 -20.1931 16.7985 5.60752 GPRESSAVG: 4730800 -15.8535 -62.8454 -21.9175 -60.2355 -22.6851 17.8889 -18.9837 15.7478 7.27199 TIMING: 4730800 CPU: 15258.4, 0.00312856/step Wall: 15258.4, 0.00312856/step, 0.233947 hours remaining, 235.269531 MB of memory in use. ENERGY: 4730800 3988.2592 20636.6292 14495.3977 241.0342 -203422.3799 2501.9837 0.0000 0.0000 51915.0358 -109644.0401 298.3564 -161559.0759 -109297.1219 299.0777 23.1876 51.1316 759734.6323 -10.4859 -10.4222 PRESSURE: 4731000 41.272 127.968 165.963 127.967 211.045 174.913 165.963 174.913 157.588 GPRESSURE: 4731000 79.5437 8.63607 218.791 155.987 217.181 191.715 100.065 148.733 201.189 PRESSAVG: 4731000 -2.75658 -50.1195 -10.543 -50.1196 62.3258 -50.0491 -10.543 -50.0491 27.0181 GPRESSAVG: 4731000 -2.48418 -50.4231 -9.21345 -51.7013 63.7447 -51.4165 -11.4434 -48.3338 25.5963 TIMING: 4731000 CPU: 15259, 0.00311446/step Wall: 15259, 0.00311446/step, 0.23272 hours remaining, 235.269531 MB of memory in use. ENERGY: 4731000 3982.2877 20606.9611 14449.1555 235.0324 -203525.5199 2486.5925 0.0000 0.0000 52237.9716 -109527.5191 300.2123 -161765.4907 -109156.1918 299.4187 136.6348 165.9714 758115.8530 28.8624 28.9522 PRESSURE: 4731200 167.896 -111.339 -80.7651 -111.34 -174.753 143.255 -80.7654 143.255 -410.655 GPRESSURE: 4731200 269.157 -58.0137 -55.8305 -59.2249 -251.924 142.419 -126.587 187.266 -345.35 PRESSAVG: 4731200 37.9476 -16.6409 -9.36092 -16.6409 -57.531 18.0918 -9.3609 18.0918 -29.7909 GPRESSAVG: 4731200 38.4714 -15.3414 -10.7772 -16.0307 -58.2685 19.6029 -10.4973 17.8739 -30.0411 TIMING: 4731200 CPU: 15259.6, 0.0031153/step Wall: 15259.6, 0.0031153/step, 0.232609 hours remaining, 235.269531 MB of memory in use. ENERGY: 4731200 3964.1625 20750.0644 14418.6235 269.7850 -203181.9717 2415.9535 0.0000 0.0000 52061.7683 -109301.6145 299.1997 -161363.3828 -108942.6096 299.7546 -139.1709 -109.3724 760678.5036 -16.4581 -16.6127 PRESSURE: 4731400 117.601 123.689 -84.2805 123.69 212.925 -13.7812 -84.2804 -13.782 45.1847 GPRESSURE: 4731400 145.223 188.78 28.4104 92.1942 182.913 5.30036 -97.0754 3.74321 122.128 PRESSAVG: 4731400 11.4517 9.38356 -13.0727 9.38364 27.0135 -8.67965 -13.0728 -8.6797 -7.65081 GPRESSAVG: 4731400 11.5372 9.96872 -12.7973 10.1328 27.623 -8.68566 -12.7108 -8.06527 -8.26999 TIMING: 4731400 CPU: 15260.2, 0.00311122/step Wall: 15260.2, 0.00311123/step, 0.232132 hours remaining, 235.269531 MB of memory in use. ENERGY: 4731400 4043.4578 20643.9242 14486.7536 248.0892 -203404.1057 2341.4540 0.0000 0.0000 52300.6959 -109339.7310 300.5728 -161640.4269 -108967.6583 300.3278 125.2370 150.0881 759853.0396 10.2715 10.2968 PRESSURE: 4731600 98.4988 -27.2744 23.2201 -27.2743 -70.6131 -30.3743 23.2199 -30.3749 -28.2289 GPRESSURE: 4731600 115.549 -21.2129 33.3015 31.872 -5.36128 -45.7782 45.554 -40.8647 -25.6025 PRESSAVG: 4731600 -42.1812 -14.3572 -22.7002 -14.3572 32.9345 -34.0209 -22.7002 -34.0208 3.30774 GPRESSAVG: 4731600 -42.3314 -13.9872 -22.8551 -14.1308 32.7571 -35.1916 -21.7777 -33.5816 3.77565 TIMING: 4731600 CPU: 15260.8, 0.0031026/step Wall: 15260.8, 0.0031026/step, 0.231316 hours remaining, 235.269531 MB of memory in use. ENERGY: 4731600 4013.1947 20451.2978 14459.2884 231.0005 -203084.1357 2479.5739 0.0000 0.0000 52150.4028 -109299.3776 299.7091 -161449.7804 -108932.4399 300.0154 -0.1144 28.1950 760529.3512 -1.9797 -1.9329 PRESSURE: 4731800 2.08655 79.2968 -168.176 79.2975 84.3843 183.666 -168.175 183.665 356.976 GPRESSURE: 4731800 82.3731 -3.20607 -161.036 25.075 6.95109 132.88 -250.028 41.7092 442.963 PRESSAVG: 4731800 31.0983 3.06992 -19.644 3.06997 -1.35093 -40.7781 -19.6441 -40.7781 -31.641 GPRESSAVG: 4731800 30.3716 3.4704 -19.4144 4.05736 -1.34548 -38.2266 -19.8856 -42.6358 -31.3923 TIMING: 4731800 CPU: 15261.5, 0.00313256/step Wall: 15261.5, 0.00313256/step, 0.233376 hours remaining, 235.269531 MB of memory in use. ENERGY: 4731800 4032.3107 20507.0124 14457.5922 250.7889 -203688.4744 2809.0002 0.0000 0.0000 52020.8294 -109610.9407 298.9644 -161631.7700 -109254.3380 299.5094 147.8157 177.4290 761894.2116 -0.6312 -0.7887 PRESSURE: 4732000 -28.2417 -82.1004 -30.9351 -82.101 257.236 37.4486 -30.9342 37.4493 -163.64 GPRESSURE: 4732000 -58.7468 -84.298 -95.1776 -121.02 414.455 56.375 148.046 35.3158 -190.397 PRESSAVG: 4732000 -79.7296 -27.8764 26.7381 -27.8764 72.9124 36.4886 26.738 36.4886 -23.3403 GPRESSAVG: 4732000 -79.9736 -29.9868 27.157 -29.4244 72.9974 35.3183 26.8901 36.2472 -23.69 TIMING: 4732000 CPU: 15262.1, 0.00313019/step Wall: 15262.1, 0.00313019/step, 0.233025 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4732000 3995.2498 20544.4788 14492.1632 256.7855 -202983.0328 2261.3098 0.0000 0.0000 52111.9074 -109321.1381 299.4878 -161433.0456 -108954.3631 299.5137 21.7848 55.1038 760967.8787 -10.0525 -10.2221 PRESSURE: 4732200 -195.59 -14.8648 -48.9261 -14.8645 -36.2983 -71.2359 -48.9263 -71.2355 -110.177 GPRESSURE: 4732200 -184.8 -123.54 -74.7028 -58.6559 -6.27315 -6.7402 -11.2514 -71.9043 -56.4567 PRESSAVG: 4732200 19.5058 -37.2524 100.444 -37.2524 26.2504 16.798 100.444 16.7981 16.5692 GPRESSAVG: 4732200 19.05 -36.0675 99.9127 -37.489 26.1884 18.0108 102.112 16.1749 17.4495 TIMING: 4732200 CPU: 15262.7, 0.00312412/step Wall: 15262.7, 0.00312412/step, 0.232399 hours remaining, 235.269531 MB of memory in use. ENERGY: 4732200 4024.5777 20479.2233 14449.5870 242.6948 -203529.7374 2673.0058 0.0000 0.0000 52208.9415 -109451.7072 300.0455 -161660.6487 -109082.4354 299.8557 -114.0218 -82.5100 762071.4124 20.7751 20.8960 LDB: ============= START OF LOAD BALANCING ============== 15275.1 LDB: ============== END OF LOAD BALANCING =============== 15275.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15275.1 LDB: ============= START OF LOAD BALANCING ============== 15275.5 LDB: Largest compute 7049 load 0.032587 is 16.7% of average load 0.195545 LDB: Average compute 0.004368 is 2.2% of average load 0.195545 LDB: TIME 15275.5 LOAD: AVG 0.195545 MAX 0.213335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.008 MB LDB: TIME 15275.5 LOAD: AVG 0.195545 MAX 0.213335 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: TIME 15275.5 LOAD: AVG 0.195545 MAX 0.213335 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: ============== END OF LOAD BALANCING =============== 15275.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15275.5 PRESSURE: 4732400 -363.603 -58.8191 -26.6147 -58.82 27.5528 50.5773 -26.6144 50.5775 -251.278 GPRESSURE: 4732400 -217.229 58.1996 -114.445 -49.9612 37.8059 -5.73207 -79.3085 0.138511 -312.429 PRESSAVG: 4732400 18.4293 -57.8128 -39.0235 -57.8129 4.3661 -38.3595 -39.0234 -38.3594 -4.52238 GPRESSAVG: 4732400 19.2351 -58.0926 -37.1878 -56.22 4.91505 -39.4052 -39.3869 -36.2799 -5.76929 TIMING: 4732400 CPU: 15263.4, 0.00321566/step Wall: 15263.4, 0.00321566/step, 0.23903 hours remaining, 236.160156 MB of memory in use. ENERGY: 4732400 3997.4695 20540.5124 14451.9682 229.7948 -203131.5687 2113.6342 0.0000 0.0000 52046.2065 -109751.9830 299.1103 -161798.1895 -109387.6675 299.0573 -195.7760 -163.9507 761058.1072 6.0910 6.1270 PRESSURE: 4732600 -370.365 -112.292 -25.1829 -112.293 -185.736 18.6161 -25.1835 18.6151 -138.854 GPRESSURE: 4732600 -338.485 -61.6055 62.3117 -127.589 -121.821 48.0014 -22.2547 22.6992 -148.599 PRESSAVG: 4732600 -95.2727 26.8914 -8.68322 26.8914 70.528 -21.8019 -8.6833 -21.8019 -25.8807 GPRESSAVG: 4732600 -95.2481 25.8878 -9.75404 27.1395 70.08 -21.2307 -9.59404 -22.835 -25.6538 TIMING: 4732600 CPU: 15264, 0.00313114/step Wall: 15264, 0.00313114/step, 0.232574 hours remaining, 236.554688 MB of memory in use. ENERGY: 4732600 4052.0194 20538.9616 14459.4592 244.8725 -203352.9618 2380.8275 0.0000 0.0000 52132.5260 -109544.2956 299.6063 -161676.8216 -109177.8671 298.6082 -231.6517 -202.9684 761280.9655 -16.8751 -16.9406 PRESSURE: 4732800 -149.815 -112.759 83.9771 -112.76 156.056 -286.705 83.9771 -286.703 -361.566 GPRESSURE: 4732800 -119.734 -124.218 99.8064 -142.476 180.928 -249.397 141.37 -225.151 -321.146 PRESSAVG: 4732800 -26.3904 -17.0232 -12.0668 -17.0231 53.183 23.9351 -12.0668 23.9352 4.33685 GPRESSAVG: 4732800 -25.6272 -15.9452 -11.3104 -18.1359 52.4816 23.2685 -12.3662 23.9126 4.81548 TIMING: 4732800 CPU: 15264.6, 0.00312299/step Wall: 15264.6, 0.00312299/step, 0.231796 hours remaining, 236.554688 MB of memory in use. ENERGY: 4732800 3958.2494 20596.7811 14471.7401 234.7096 -203288.3201 2470.7147 0.0000 0.0000 52052.6627 -109503.4625 299.1474 -161556.1252 -109145.4132 298.8796 -118.4419 -86.6508 761037.6924 10.3765 10.5566 PRESSURE: 4733000 -426.196 -132.525 -2.1929 -132.525 -891.341 -10.0689 -2.1921 -10.0702 -238.311 GPRESSURE: 4733000 -416.869 -102.248 -20.4004 -25.0265 -787.71 -59.4989 -224.577 1.45492 -290.927 PRESSAVG: 4733000 42.7845 -9.07993 -18.5786 -9.07995 -37.2268 4.00007 -18.5787 4.00002 3.61167 GPRESSAVG: 4733000 41.655 -10.2086 -18.3328 -9.57847 -36.3545 3.03919 -21.2821 5.80045 3.18249 TIMING: 4733000 CPU: 15265.2, 0.00313849/step Wall: 15265.2, 0.00313849/step, 0.232771 hours remaining, 236.554688 MB of memory in use. ENERGY: 4733000 4021.5417 20492.0103 14464.1431 254.7773 -203074.4021 1999.1782 0.0000 0.0000 52257.1205 -109585.6310 300.3224 -161842.7514 -109228.4268 299.4413 -518.6162 -498.5020 761031.9391 3.0564 2.8277 PRESSURE: 4733200 -226.334 -53.7439 -222.868 -53.7441 -127.615 47.922 -222.867 47.9216 -163.358 GPRESSURE: 4733200 -158.78 -118.168 -209.721 -152.036 -124.47 -51.2796 -193.087 37.021 -151.107 PRESSAVG: 4733200 46.4159 -41.1297 16.6172 -41.1298 13.5197 4.00945 16.6172 4.00945 6.63336 GPRESSAVG: 4733200 44.7806 -38.2202 17.5604 -42.7889 14.3821 4.58083 18.5212 4.03827 7.47114 TIMING: 4733200 CPU: 15265.9, 0.00316619/step Wall: 15265.9, 0.00316619/step, 0.23465 hours remaining, 236.554688 MB of memory in use. ENERGY: 4733200 4065.6518 20428.5533 14461.5068 270.9175 -203283.0053 2317.3155 0.0000 0.0000 52363.8402 -109375.2202 300.9357 -161739.0604 -109003.4962 299.5783 -172.4357 -144.7857 759052.8206 22.1897 22.2113 PRESSURE: 4733400 111.494 -76.196 -77.3389 -76.1955 -13.4368 110.811 -77.34 110.811 240.491 GPRESSURE: 4733400 273.121 -125.336 -173.805 -87.3695 23.0588 109.214 -221.431 -11.3004 126.426 PRESSAVG: 4733400 -25.9126 -34.6498 32.0549 -34.6497 27.2648 68.8799 32.0549 68.8799 2.139 GPRESSAVG: 4733400 -24.9203 -37.1653 30.569 -32.736 27.0209 68.4998 32.3006 66.8468 2.09006 TIMING: 4733400 CPU: 15266.5, 0.00314259/step Wall: 15266.5, 0.00314259/step, 0.232726 hours remaining, 236.691406 MB of memory in use. ENERGY: 4733400 4029.7682 20626.3225 14465.7422 236.6995 -203280.8884 2678.4768 0.0000 0.0000 52098.7492 -109145.1300 299.4122 -161243.8792 -108786.3744 300.0611 112.8493 140.8686 760163.1538 1.1637 1.3969 PRESSURE: 4733600 -349.486 -0.744114 -83.3598 -0.74376 -138.005 163.936 -83.3596 163.936 -27.6042 GPRESSURE: 4733600 -303.753 3.74697 -70.2975 -43.4987 -158.814 228.436 -138.183 99.4994 33.3479 PRESSAVG: 4733600 -14.5988 -13.7541 6.23324 -13.754 5.13694 23.8864 6.23321 23.8865 0.588822 GPRESSAVG: 4733600 -14.4425 -12.2563 7.0061 -14.7603 4.39701 23.5316 7.40555 24.2832 0.953473 TIMING: 4733600 CPU: 15267.1, 0.00311208/step Wall: 15267.1, 0.00311208/step, 0.230294 hours remaining, 236.691406 MB of memory in use. ENERGY: 4733600 4021.2264 20499.2000 14470.4172 262.7346 -203040.7537 2550.3498 0.0000 0.0000 51949.6248 -109287.2009 298.5552 -161236.8257 -108920.1645 299.8425 -171.6987 -143.0730 762872.8277 -2.9577 -3.0307 PRESSURE: 4733800 -277.58 115.89 198.055 115.889 528.23 -17.8113 198.056 -17.8118 91.9755 GPRESSURE: 4733800 -192.355 -0.909492 140.141 101.382 482.908 -34.4528 218.228 -48.7537 128.536 PRESSAVG: 4733800 -29.6619 -11.8595 69.7852 -11.8595 30.1662 1.72946 69.7851 1.72939 -33.094 GPRESSAVG: 4733800 -29.1242 -12.6959 68.849 -10.5051 30.6747 1.73021 68.3887 1.80119 -33.5622 TIMING: 4733800 CPU: 15267.8, 0.00311781/step Wall: 15267.8, 0.00311781/step, 0.230545 hours remaining, 236.832031 MB of memory in use. ENERGY: 4733800 3935.0258 20529.9710 14497.7854 264.2450 -203315.4084 2769.0576 0.0000 0.0000 52122.3119 -109197.0116 299.5476 -161319.3235 -108833.9730 299.5374 114.2087 139.6963 761456.7009 -10.8632 -10.6706 PRESSURE: 4734000 -304.934 -49.4045 192.336 -49.405 -260.1 -63.5308 192.336 -63.5308 -114.445 GPRESSURE: 4734000 -225.914 69.6636 197.852 32.8269 -233.505 -54.1334 173.147 -104.633 -131.485 PRESSAVG: 4734000 -17.9425 24.0422 7.41751 24.0422 8.25007 -40.2606 7.41757 -40.2605 7.4823 GPRESSAVG: 4734000 -17.8991 24.1199 8.272 22.7006 8.02274 -39.359 7.98924 -39.2018 8.16008 TIMING: 4734000 CPU: 15268.4, 0.00312228/step Wall: 15268.4, 0.00312228/step, 0.230702 hours remaining, 236.886719 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: 4734000 4009.2228 20413.8480 14478.5224 248.8129 -203355.0916 2653.0532 0.0000 0.0000 52427.7395 -109123.8928 301.3029 -161551.6323 -108756.9048 300.1233 -226.4933 -196.9679 762075.0321 -0.7367 -0.5721 PRESSURE: 4734200 147.889 -122.949 -185.992 -122.949 430.624 394.459 -185.992 394.458 68.1768 GPRESSURE: 4734200 187.126 -105.395 -175.265 -50.6275 391.534 378.04 -182.107 399.72 156.066 PRESSAVG: 4734200 50.1605 -18.1974 -48.0442 -18.1974 -27.3816 -13.8994 -48.0442 -13.8993 1.67603 GPRESSAVG: 4734200 49.669 -18.0878 -48.6274 -19.1472 -26.7811 -11.7051 -47.5689 -16.3946 1.75154 TIMING: 4734200 CPU: 15269, 0.00310314/step Wall: 15269, 0.00310314/step, 0.229116 hours remaining, 236.886719 MB of memory in use. ENERGY: 4734200 3916.9067 20558.2364 14452.3493 259.8473 -202951.5907 2435.0104 0.0000 0.0000 52386.6192 -108942.6214 301.0666 -161329.2406 -108582.3575 300.3538 215.5632 244.9087 760052.7573 8.1516 8.2132 PRESSURE: 4734400 -96.577 102.897 175.264 102.898 353.992 77.7957 175.264 77.7967 -252.819 GPRESSURE: 4734400 -46.8081 125.04 178.545 196.352 390.967 91.9432 105.306 65.2196 -251.358 PRESSAVG: 4734400 -15.4771 -29.3913 1.60717 -29.3912 -15.9692 31.4294 1.60713 31.4294 19.757 GPRESSAVG: 4734400 -14.8667 -29.2552 1.13575 -26.7224 -16.4448 29.318 0.259263 33.3549 19.641 TIMING: 4734400 CPU: 15269.6, 0.00312956/step Wall: 15269.6, 0.00312956/step, 0.230892 hours remaining, 236.886719 MB of memory in use. ENERGY: 4734400 4064.7777 20368.2769 14484.6144 271.1343 -202910.8009 2502.9546 0.0000 0.0000 52340.9436 -108878.0995 300.8041 -161219.0431 -108520.4194 300.8040 1.5319 30.9338 760173.1462 -3.8964 -3.8901 PRESSURE: 4734600 217.843 197.265 -35.8094 197.266 -64.4455 -72.7246 -35.8098 -72.7246 -163.463 GPRESSURE: 4734600 279.102 151.988 19.3252 71.0818 -148.776 -20.2975 6.6746 -41.7531 -56.6134 PRESSAVG: 4734600 33.1815 -51.5141 5.20169 -51.5142 -0.912629 50.5383 5.20173 50.5383 17.7199 GPRESSAVG: 4734600 33.0936 -51.9115 6.80622 -52.2314 -1.2038 51.4799 5.27194 48.3908 17.7899 TIMING: 4734600 CPU: 15270.3, 0.00313333/step Wall: 15270.3, 0.00313333/step, 0.230996 hours remaining, 236.886719 MB of memory in use. ENERGY: 4734600 3941.6467 20639.5195 14444.2019 255.1007 -202966.4278 2533.5244 0.0000 0.0000 52281.9258 -108870.5088 300.4649 -161152.4346 -108509.5320 300.8699 -3.3551 24.5707 761946.8496 16.6629 16.5599 PRESSURE: 4734800 -161.929 -227.247 36.5695 -227.248 -349.435 -11.6225 36.5688 -11.6236 -675.163 GPRESSURE: 4734800 -80.4857 -208.952 2.01517 -167.444 -392.846 87.2434 -8.14181 -119.74 -614.125 PRESSAVG: 4734800 43.0659 -27.3529 35.7315 -27.3529 -4.55562 29.0804 35.7314 29.0804 1.34506 GPRESSAVG: 4734800 42.0616 -26.0308 34.4774 -28.1705 -4.52929 28.9191 35.8407 30.5265 1.34656 TIMING: 4734800 CPU: 15270.9, 0.00311813/step Wall: 15270.9, 0.00311813/step, 0.229702 hours remaining, 236.886719 MB of memory in use. ENERGY: 4734800 3994.8333 20456.9576 14502.2335 252.8492 -202945.2786 2395.9619 0.0000 0.0000 52117.4707 -109224.9725 299.5198 -161342.4431 -108858.3590 300.6657 -395.5090 -362.4855 761164.6637 13.2851 12.9596 PRESSURE: 4735000 174.156 217.985 -132.098 217.984 -320.911 72.6781 -132.098 72.6779 -83.0576 GPRESSURE: 4735000 186.948 264.668 -53.5881 149.412 -178.49 106.626 -76.6318 -55.0296 -138.126 PRESSAVG: 4735000 56.5093 -26.2386 33.7928 -26.2386 -49.9144 -23.1413 33.7928 -23.1412 -7.47102 GPRESSAVG: 4735000 55.7491 -28.439 34.9987 -25.0901 -49.139 -22.7433 32.7167 -24.7724 -7.69491 TIMING: 4735000 CPU: 15271.5, 0.00312386/step Wall: 15271.5, 0.00312386/step, 0.229951 hours remaining, 236.886719 MB of memory in use. ENERGY: 4735000 4035.6437 20370.6701 14468.6492 259.3922 -203130.8829 2233.6756 0.0000 0.0000 52338.9306 -109423.9214 300.7926 -161762.8520 -109063.0508 299.7128 -76.6044 -43.2229 758779.6862 -0.2920 -0.3616 PRESSURE: 4735200 13.4266 -53.9109 -25.9274 -53.9106 -156.035 -260.778 -25.9269 -260.778 -233.058 GPRESSURE: 4735200 48.9321 -155.743 -71.5944 9.86669 -172.91 -200.82 -43.2649 -205.09 -160.053 PRESSAVG: 4735200 15.4277 -1.89811 21.9429 -1.89802 -40.5849 -26.4731 21.943 -26.4732 -7.14637 GPRESSAVG: 4735200 15.7184 -1.28552 19.0044 -2.19342 -41.8727 -27.0724 23.1734 -24.9067 -5.80548 TIMING: 4735200 CPU: 15272.1, 0.00312863/step Wall: 15272.1, 0.00312863/step, 0.230128 hours remaining, 236.886719 MB of memory in use. ENERGY: 4735200 4019.1845 20411.2048 14462.3791 250.6803 -203445.5944 2508.9957 0.0000 0.0000 52230.8616 -109562.2883 300.1715 -161793.1499 -109200.9085 299.4942 -125.2222 -94.6771 760974.8060 -10.7678 -10.6533 PRESSURE: 4735400 172.247 -81.1615 49.9591 -81.1619 36.6695 7.27372 49.9595 7.27342 234.299 GPRESSURE: 4735400 179.453 14.2027 76.6449 -22.9978 110.662 -9.43686 182.137 -13.1145 238.353 PRESSAVG: 4735400 22.1607 15.0953 65.2201 15.0953 16.3147 26.974 65.2201 26.974 3.88497 GPRESSAVG: 4735400 22.7112 15.9487 65.5706 13.9282 16.8852 25.1566 66.4813 25.2221 3.00567 TIMING: 4735400 CPU: 15272.8, 0.00313174/step Wall: 15272.8, 0.00313174/step, 0.230183 hours remaining, 236.886719 MB of memory in use. ENERGY: 4735400 3953.2744 20520.6851 14469.4410 248.2862 -203195.3718 2537.7180 0.0000 0.0000 52073.2728 -109392.6942 299.2658 -161465.9670 -109030.7752 299.4509 147.7385 176.1560 760383.4904 14.1201 14.2007 PRESSURE: 4735600 42.7717 222.177 463.935 222.177 -116.991 -35.1615 463.935 -35.1609 56.7739 GPRESSURE: 4735600 0.834482 310.358 432.894 215.543 -60.524 -100.32 302.544 96.3361 115.398 PRESSAVG: 4735600 63.0186 26.237 22.8889 26.2371 -14.5471 9.4304 22.8889 9.43033 -8.28765 GPRESSAVG: 4735600 62.7244 26.4557 23.7731 27.703 -14.8007 8.76959 21.8552 11.0065 -7.37136 TIMING: 4735600 CPU: 15273.4, 0.0031359/step Wall: 15273.4, 0.0031359/step, 0.230314 hours remaining, 236.886719 MB of memory in use. ENERGY: 4735600 3943.7991 20457.1378 14489.7842 231.8929 -203112.6251 2470.2238 0.0000 0.0000 51932.8610 -109586.9263 298.4589 -161519.7873 -109219.3943 298.5613 -5.8153 18.5694 762355.5983 13.3946 13.5174 PRESSURE: 4735800 91.5568 -230.555 37.8531 -230.556 -92.4009 -63.4169 37.853 -63.4159 82.1586 GPRESSURE: 4735800 181.882 -204.557 -4.54821 -142.657 -87.5609 -6.91405 64.3503 -2.0524 75.5409 PRESSAVG: 4735800 12.9102 13.3455 3.62043 13.3456 -33.5325 32.9292 3.62045 32.9292 8.40272 GPRESSAVG: 4735800 13.6429 12.1467 3.04025 12.6709 -33.6646 35.4024 3.05348 33.1085 7.63573 TIMING: 4735800 CPU: 15274, 0.00312601/step Wall: 15274, 0.00312601/step, 0.229415 hours remaining, 236.886719 MB of memory in use. ENERGY: 4735800 3953.7136 20443.5552 14451.8708 248.8334 -203001.9505 2394.9917 0.0000 0.0000 51904.3587 -109604.6270 298.2951 -161508.9857 -109239.1210 299.0862 27.1048 56.6207 762014.4306 -4.0732 -4.1286 PRESSURE: 4736000 -234.468 108.042 -20.8878 108.042 -429.847 244.969 -20.8875 244.969 -339.828 GPRESSURE: 4736000 -213.159 227.669 4.86742 133.831 -440.211 257.84 -34.5691 240.252 -272.331 PRESSAVG: 4736000 72.0813 14.1054 -8.55072 14.1054 -117.361 -23.1582 -8.55077 -23.1581 -1.46447 GPRESSAVG: 4736000 71.622 15.8731 -7.79213 15.3836 -117.378 -24.6921 -8.08138 -24.0781 -1.55091 TIMING: 4736000 CPU: 15274.6, 0.00314759/step Wall: 15274.6, 0.00314759/step, 0.230823 hours remaining, 236.886719 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: 4736000 3993.7460 20453.9805 14424.8213 256.5640 -203144.8835 2312.2285 0.0000 0.0000 52055.6151 -109647.9283 299.1643 -161703.5434 -109285.5819 298.8047 -334.7145 -308.5668 762389.7372 -15.5814 -15.7690 PRESSURE: 4736200 -123.995 83.7013 -179.221 83.7001 73.1816 192.04 -179.221 192.039 -225.964 GPRESSURE: 4736200 22.7626 6.72219 -166.445 -53.0374 -9.21718 63.2852 -139.701 176.413 -197.987 PRESSAVG: 4736200 45.6952 -0.693014 6.66175 -0.693056 -11.4959 2.37997 6.6618 2.37992 -9.21193 GPRESSAVG: 4736200 47.5569 -2.24156 5.66023 -2.14475 -12.6559 1.45543 7.30735 1.56612 -9.83062 TIMING: 4736200 CPU: 15275.3, 0.00314682/step Wall: 15275.3, 0.00314682/step, 0.230592 hours remaining, 236.886719 MB of memory in use. ENERGY: 4736200 3955.7906 20463.9201 14431.3345 258.4313 -203548.2978 2595.4591 0.0000 0.0000 52008.4082 -109834.9539 298.8930 -161843.3622 -109473.6071 298.6944 -92.2591 -61.4804 762737.4617 8.3291 8.3568 LDB: ============= START OF LOAD BALANCING ============== 15287.7 LDB: ============== END OF LOAD BALANCING =============== 15287.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15287.7 LDB: ============= START OF LOAD BALANCING ============== 15288 LDB: Largest compute 7049 load 0.033629 is 17.2% of average load 0.195681 LDB: Average compute 0.004377 is 2.2% of average load 0.195681 LDB: TIME 15288 LOAD: AVG 0.195681 MAX 0.214964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.23 MB LDB: TIME 15288 LOAD: AVG 0.195681 MAX 0.214964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.453 MB LDB: TIME 15288 LOAD: AVG 0.195681 MAX 0.214964 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.453 MB LDB: ============== END OF LOAD BALANCING =============== 15288 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15288 PRESSURE: 4736400 -577.968 -137.826 344.483 -137.827 -334.019 8.79317 344.482 8.79226 -578.491 GPRESSURE: 4736400 -579.604 -170.863 337.06 -3.4594 -293.854 -77.4522 316.996 0.251697 -519.885 PRESSAVG: 4736400 -24.8151 27.0151 35.738 27.0151 -6.69968 21.1601 35.7381 21.1601 -14.4644 GPRESSAVG: 4736400 -26.9698 27.8053 36.5445 26.7195 -4.69816 23.0331 34.7932 21.48 -13.9257 TIMING: 4736400 CPU: 15275.9, 0.00319907/step Wall: 15275.9, 0.00319907/step, 0.234243 hours remaining, 234.625000 MB of memory in use. ENERGY: 4736400 3976.2150 20437.2027 14425.3113 231.5507 -203128.6121 2210.8023 0.0000 0.0000 51928.3154 -109919.2147 298.4327 -161847.5301 -109562.0407 298.1767 -496.8258 -464.4476 763203.9778 -15.3264 -15.1979 PRESSURE: 4736600 -247.882 62.4131 9.64621 62.4124 -132.203 -117.034 9.64637 -117.035 -81.4241 GPRESSURE: 4736600 -230.722 81.3253 14.8711 36.6607 -96.7386 -62.1827 -24.5871 77.191 -29.9504 PRESSAVG: 4736600 -4.52415 39.4369 10.0386 39.4368 45.7862 21.2311 10.0385 21.231 6.38913 GPRESSAVG: 4736600 -4.28051 37.6878 9.52329 38.7874 45.5778 21.1428 9.53524 23.2585 5.99283 TIMING: 4736600 CPU: 15276.5, 0.00314058/step Wall: 15276.5, 0.00314058/step, 0.229786 hours remaining, 234.882812 MB of memory in use. ENERGY: 4736600 3974.8855 20428.6674 14420.6378 242.4126 -203648.4585 2700.0633 0.0000 0.0000 51955.2294 -109926.5625 298.5874 -161881.7919 -109564.8656 298.3973 -153.8364 -119.1369 762802.4165 15.8837 15.7634 PRESSURE: 4736800 -57.8939 -120.209 12.2712 -120.211 -26.7129 -46.7688 12.271 -46.7687 -81.1392 GPRESSURE: 4736800 -20.5755 -70.0634 -7.77009 -161.88 -11.3143 -95.3535 101.843 -138.628 -39.2816 PRESSAVG: 4736800 33.1565 61.8139 -35.7642 61.8139 -38.3909 25.6616 -35.7642 25.6616 -2.91277 GPRESSAVG: 4736800 32.6132 61.9571 -36.5395 62.8516 -37.9842 23.839 -36.2591 25.0995 -3.06252 TIMING: 4736800 CPU: 15277.2, 0.00315041/step Wall: 15277.2, 0.00315041/step, 0.23033 hours remaining, 234.882812 MB of memory in use. ENERGY: 4736800 4034.9353 20416.6427 14430.6024 236.9888 -203521.3181 2507.6070 0.0000 0.0000 51817.6355 -110076.9064 297.7967 -161894.5420 -109712.7349 297.9969 -55.2486 -23.7238 762636.7555 -2.7157 -2.8112 PRESSURE: 4737000 -152.568 -22.9221 -220.421 -22.9211 -49.3124 -168.93 -220.421 -168.93 -198.769 GPRESSURE: 4737000 -137.008 43.1373 -157.532 -6.46153 -30.2732 -207.147 -31.1483 -183.761 -149.66 PRESSAVG: 4737000 51.203 44.8844 -12.2783 44.8844 -17.9418 21.7696 -12.2784 21.7696 1.11753 GPRESSAVG: 4737000 51.8638 45.043 -11.0636 48.1142 -18.7116 23.6038 -11.6387 19.5969 1.34392 TIMING: 4737000 CPU: 15277.8, 0.00314119/step Wall: 15277.8, 0.00314119/step, 0.229481 hours remaining, 234.882812 MB of memory in use. ENERGY: 4737000 4049.3438 20470.3938 14412.2651 254.7194 -203569.8195 2529.3710 0.0000 0.0000 52004.0964 -109849.6300 298.8683 -161853.7264 -109492.9731 298.5439 -133.5497 -105.6469 761058.1526 11.4596 11.4987 PRESSURE: 4737200 -334.087 -82.857 261.363 -82.8572 -39.2824 -246.231 261.363 -246.231 -443.318 GPRESSURE: 4737200 -204.091 -47.5445 311.733 -58.3565 -87.7819 -198.92 173.789 -168.926 -432.331 PRESSAVG: 4737200 27.0202 21.9668 37.5053 21.9668 -8.16433 18.4678 37.5052 18.4678 2.52963 GPRESSAVG: 4737200 27.3163 22.9647 38.4879 19.7495 -7.28983 18.3742 36.696 18.7691 1.47486 TIMING: 4737200 CPU: 15278.4, 0.00311887/step Wall: 15278.4, 0.00311886/step, 0.227677 hours remaining, 234.882812 MB of memory in use. ENERGY: 4737200 3992.7656 20351.6613 14475.5380 236.0182 -203329.9180 2525.3066 0.0000 0.0000 51871.1909 -109877.4374 298.1044 -161748.6283 -109509.6804 298.7792 -272.2292 -241.4013 762183.8878 7.1285 7.1671 PRESSURE: 4737400 154.666 121.916 235.219 121.917 121.17 -56.2418 235.219 -56.2417 -129.926 GPRESSURE: 4737400 134.6 111.566 184.097 -45.7095 181.147 -104.908 86.7191 -48.2988 -79.4712 PRESSAVG: 4737400 20.4177 5.68651 -18.6113 5.68653 -20.4846 50.0497 -18.6113 50.0497 -14.23 GPRESSAVG: 4737400 20.1767 5.75042 -19.157 5.03974 -21.7371 50.9428 -17.2401 48.8305 -12.767 TIMING: 4737400 CPU: 15279, 0.00312744/step Wall: 15279, 0.00312744/step, 0.228129 hours remaining, 234.882812 MB of memory in use. ENERGY: 4737400 4033.5132 20507.1972 14507.5198 244.9325 -203373.2038 2397.9033 0.0000 0.0000 52050.1129 -109632.0249 299.1327 -161682.1378 -109265.6858 299.1114 48.6365 78.7586 761770.6565 -4.7656 -4.7758 PRESSURE: 4737600 -175.156 55.1395 108.637 55.1391 -149.33 259.77 108.636 259.771 141.589 GPRESSURE: 4737600 -123.034 60.3587 72.4996 72.058 -116.536 164.135 113.275 321.444 116.598 PRESSAVG: 4737600 25.499 15.5316 9.46678 15.5316 -22.1744 46.0685 9.46673 46.0685 -0.590734 GPRESSAVG: 4737600 26.2449 15.9527 7.7861 16.688 -22.0561 45.1911 10.8642 47.617 -1.26348 TIMING: 4737600 CPU: 15279.7, 0.00314268/step Wall: 15279.7, 0.00314268/step, 0.229067 hours remaining, 234.882812 MB of memory in use. ENERGY: 4737600 4095.0437 20577.2091 14555.6155 241.9963 -203830.2355 2640.9940 0.0000 0.0000 51964.4245 -109754.9523 298.6403 -161719.3767 -109393.6130 299.1596 -60.9658 -40.9905 762497.5370 0.9113 0.9751 PRESSURE: 4737800 -165.2 -118.902 -302.851 -118.902 34.3356 -78.5795 -302.851 -78.5789 226.65 GPRESSURE: 4737800 -156.715 -126.745 -305.634 -210.402 128.468 -93.2617 -248.342 -88.4044 238.637 PRESSAVG: 4737800 -13.6416 15.2832 -3.86515 15.2832 -27.4352 35.8312 -3.86522 35.8312 29.5491 GPRESSAVG: 4737800 -14.7722 13.9669 -3.5881 13.9708 -26.6625 35.1384 -4.10007 37.103 30.0584 TIMING: 4737800 CPU: 15280.3, 0.00316416/step Wall: 15280.3, 0.00316416/step, 0.230456 hours remaining, 234.882812 MB of memory in use. ENERGY: 4737800 4029.6673 20579.4385 14474.7498 272.8678 -203847.5421 2788.8927 0.0000 0.0000 51867.2697 -109834.6564 298.0819 -161701.9260 -109482.6365 299.1199 31.9286 70.1299 761776.3632 -3.8426 -3.7921 PRESSURE: 4738000 -89.3295 61.7577 -450.123 61.7585 -94.924 -68.155 -450.123 -68.1545 -681.4 GPRESSURE: 4738000 -81.1388 12.1459 -438.507 159.235 -27.7358 23.5422 -288.502 -22.1126 -669.677 PRESSAVG: 4738000 -8.15421 15.84 -28.1048 15.84 -42.3959 0.055632 -28.1048 0.0555427 -9.14471 GPRESSAVG: 4738000 -7.87247 15.6101 -29.0765 15.1141 -42.4058 0.822677 -29.1661 -0.656783 -9.37236 TIMING: 4738000 CPU: 15280.9, 0.00313596/step Wall: 15280.9, 0.00313596/step, 0.228229 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4738000 4060.1617 20549.5930 14482.3937 261.4725 -204061.0197 2893.8470 0.0000 0.0000 51883.0379 -109930.5138 298.1725 -161813.5517 -109572.2943 298.3770 -288.5513 -259.5173 760661.4028 -19.8983 -19.8835 PRESSURE: 4738200 -26.812 -108.614 279.229 -108.614 56.9912 105.235 279.229 105.235 133.869 GPRESSURE: 4738200 -57.5509 -91.7573 252.314 -137.893 161.113 92.7612 157.392 123.758 136.374 PRESSAVG: 4738200 20.276 22.2879 -55.7231 22.2879 -26.9344 40.0236 -55.723 40.0236 13.2512 GPRESSAVG: 4738200 19.6771 23.1056 -55.5621 23.2722 -25.9752 38.119 -57.7551 39.9197 13.0824 TIMING: 4738200 CPU: 15281.6, 0.00313254/step Wall: 15281.6, 0.00313254/step, 0.227805 hours remaining, 234.882812 MB of memory in use. ENERGY: 4738200 4021.1771 20583.0596 14430.5138 243.9357 -203757.6934 2773.7164 0.0000 0.0000 51709.5937 -109995.6971 297.1757 -161705.2908 -109638.3445 298.5483 54.6828 79.9786 761643.0388 2.1976 2.2615 PRESSURE: 4738400 -342.864 74.7441 33.5114 74.7436 49.5701 -121.143 33.5105 -121.142 284.361 GPRESSURE: 4738400 -254.852 -3.41169 -86.3098 14.5595 47.0893 -70.1353 48.1116 -130.86 272.371 PRESSAVG: 4738400 27.86 -35.459 21.9694 -35.4589 41.9102 24.2525 21.9694 24.2525 -7.01946 GPRESSAVG: 4738400 29.2144 -34.8363 21.0971 -35.9625 40.5435 26.1371 24.7735 25.8303 -6.38178 TIMING: 4738400 CPU: 15282.2, 0.00314321/step Wall: 15282.2, 0.00314321/step, 0.228406 hours remaining, 234.882812 MB of memory in use. ENERGY: 4738400 4019.4201 20419.9312 14424.4836 227.5866 -203985.7358 2724.8747 0.0000 0.0000 52128.3499 -110041.0897 299.5823 -162169.4396 -109673.1193 298.9679 -2.9776 21.5363 760235.6905 20.9169 21.1254 PRESSURE: 4738600 112.148 -63.8269 39.4264 -63.8274 15.4313 -4.02936 39.4267 -4.02917 399.307 GPRESSURE: 4738600 142.571 19.8537 118.666 30.1525 43.6217 -90.7125 -26.8487 74.3492 407.621 PRESSAVG: 4738600 32.5565 -15.4285 -22.4825 -15.4285 -21.8321 57.7384 -22.4825 57.7384 -21.8515 GPRESSAVG: 4738600 32.5704 -17.3188 -19.2394 -14.3097 -22.4716 57.4361 -21.7727 55.8263 -21.8747 TIMING: 4738600 CPU: 15282.8, 0.00314625/step Wall: 15282.8, 0.00314625/step, 0.228453 hours remaining, 234.882812 MB of memory in use. ENERGY: 4738600 3951.1129 20415.6164 14396.1016 240.2452 -203530.7328 2513.6897 0.0000 0.0000 51789.2760 -110224.6910 297.6337 -162013.9670 -109860.3264 298.4428 175.6289 197.9377 760275.8338 -3.7090 -3.9253 PRESSURE: 4738800 -25.0378 -273.305 187.192 -273.306 -273.268 10.3115 187.191 10.3122 -73.8608 GPRESSURE: 4738800 -51.7761 -236.154 111.005 -217.415 -251.603 -60.8309 129.884 -87.6686 34.619 PRESSAVG: 4738800 34.0348 -35.781 -0.657555 -35.781 -22.3924 -6.72025 -0.657562 -6.72024 0.73911 GPRESSAVG: 4738800 32.7058 -33.5701 -3.21614 -36.0764 -19.9798 -7.06225 -2.45806 -9.26079 0.265363 TIMING: 4738800 CPU: 15283.4, 0.0031108/step Wall: 15283.4, 0.0031108/step, 0.225706 hours remaining, 234.882812 MB of memory in use. ENERGY: 4738800 4013.4273 20566.7098 14399.2956 238.0417 -203363.9849 2315.5474 0.0000 0.0000 51687.1643 -110143.7988 297.0468 -161830.9631 -109797.4530 297.8972 -124.0557 -89.5868 761247.2689 4.1272 4.3305 PRESSURE: 4739000 206.709 122.096 -75.5408 122.095 74.3827 -83.7857 -75.541 -83.7849 204.077 GPRESSURE: 4739000 183.807 90.8713 -79.5958 11.4485 122.656 -46.2179 -38.8081 -55.4225 257.402 PRESSAVG: 4739000 34.8206 25.4061 13.1316 25.4061 -2.74697 29.9276 13.1316 29.9277 3.6167 GPRESSAVG: 4739000 36.3565 22.9222 14.9778 27.265 -4.41155 28.4349 11.8854 33.2203 3.81888 TIMING: 4739000 CPU: 15284.1, 0.00310796/step Wall: 15284.1, 0.00310796/step, 0.225327 hours remaining, 234.882812 MB of memory in use. ENERGY: 4739000 3957.3396 20489.7446 14425.1362 230.6330 -203691.5525 2609.5160 0.0000 0.0000 51818.3588 -110160.8244 297.8008 -161979.1832 -109789.9487 297.5367 161.7229 187.9549 759880.5508 11.8968 11.9213 PRESSURE: 4739200 102.803 9.99034 -299.604 9.98992 138.689 89.6231 -299.604 89.6234 605.065 GPRESSURE: 4739200 192.063 38.1085 -304.626 -36.6045 193.398 91.5671 -274.016 290.112 554.161 PRESSAVG: 4739200 40.2863 -12.0312 -7.31003 -12.0312 -17.1593 -17.3461 -7.30995 -17.3461 18.4276 GPRESSAVG: 4739200 39.347 -11.3737 -8.34881 -13.6913 -16.0926 -15.0093 -5.95978 -17.2596 18.3372 TIMING: 4739200 CPU: 15284.7, 0.0031298/step Wall: 15284.7, 0.0031298/step, 0.226736 hours remaining, 234.882812 MB of memory in use. ENERGY: 4739200 3885.4280 20461.1158 14375.9362 244.7328 -204180.7516 2884.6939 0.0000 0.0000 52080.8999 -110247.9450 299.3096 -162328.8449 -109888.6449 297.8409 282.1857 313.2071 758134.1582 13.8515 13.8639 PRESSURE: 4739400 2.87075 -12.1368 203.347 -12.1367 2.98777 171.351 203.347 171.35 -207.828 GPRESSURE: 4739400 118.263 -45.9964 199.185 29.2267 -55.0197 100.338 86.2949 46.3961 -176.344 PRESSAVG: 4739400 19.7434 -11.8743 -12.5442 -11.8743 -22.9853 13.0513 -12.5441 13.0514 -4.22464 GPRESSAVG: 4739400 21.1685 -9.74109 -12.0203 -10.6724 -23.5268 12.2297 -11.9701 10.0123 -4.80518 TIMING: 4739400 CPU: 15285.3, 0.00315155/step Wall: 15285.3, 0.00315155/step, 0.228137 hours remaining, 234.882812 MB of memory in use. ENERGY: 4739400 3952.0102 20502.2034 14430.4256 234.1674 -203755.6199 2796.2162 0.0000 0.0000 51777.1825 -110063.4146 297.5642 -161840.5971 -109693.8703 298.0068 -67.3230 -37.7003 760815.4871 -2.4889 -2.3878 PRESSURE: 4739600 -51.0497 89.5078 -242.608 89.5086 79.4017 -70.8395 -242.607 -70.8389 -101.672 GPRESSURE: 4739600 -49.7166 229.553 -231.875 -73.2202 97.6715 -52.0969 -126.086 44.4091 -54.0312 PRESSAVG: 4739600 0.844553 -49.5683 -41.0665 -49.5683 -14.1001 -4.97266 -41.0664 -4.97269 1.08958 GPRESSAVG: 4739600 1.15913 -51.201 -40.7137 -50.574 -15.3002 -5.26167 -41.6041 -4.1665 1.53205 TIMING: 4739600 CPU: 15285.9, 0.00313033/step Wall: 15285.9, 0.00313033/step, 0.226427 hours remaining, 234.882812 MB of memory in use. ENERGY: 4739600 4058.2321 20506.8561 14398.3145 259.3948 -203848.6204 2744.2313 0.0000 0.0000 51901.7021 -109979.8895 298.2798 -161881.5917 -109630.1728 298.4177 -24.4399 -2.0254 759917.2757 -4.0553 -4.2030 PRESSURE: 4739800 -143.074 -45.1841 50.6718 -45.1843 -323.261 13.5686 50.6722 13.5695 -640.023 GPRESSURE: 4739800 -162.041 -63.482 120.22 5.9662 -250.474 6.34273 -75.5991 -86.7437 -605.692 PRESSAVG: 4739800 46.4416 -7.31039 9.95316 -7.3104 -32.6183 3.42881 9.9532 3.42886 -11.6118 GPRESSAVG: 4739800 46.1412 -6.56383 9.57568 -5.95647 -31.4735 3.30817 10.6461 4.64748 -12.0905 TIMING: 4739800 CPU: 15286.6, 0.00310629/step Wall: 15286.6, 0.00310629/step, 0.224516 hours remaining, 234.882812 MB of memory in use. ENERGY: 4739800 3983.1519 20679.0806 14445.9148 254.0854 -203417.2454 2293.0990 0.0000 0.0000 51916.2954 -109845.6184 298.3637 -161761.9138 -109495.0161 298.6712 -368.7862 -339.4025 761792.6869 0.7372 0.8590 PRESSURE: 4740000 145.095 4.08496 -13.4589 4.08479 14.9193 261.035 -13.4586 261.034 121.598 GPRESSURE: 4740000 97.0586 0.428447 -73.0932 -55.7505 82.7675 375.843 -9.40692 43.5954 189.123 PRESSAVG: 4740000 -15.5366 -24.6104 -65.4398 -24.6104 34.2473 32.2798 -65.4398 32.2798 -7.48242 GPRESSAVG: 4740000 -16.103 -26.6224 -65.7533 -25.9389 34.2399 34.7059 -66.5883 29.2902 -6.44416 TIMING: 4740000 CPU: 15287.2, 0.00312942/step Wall: 15287.2, 0.00312942/step, 0.226014 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4740000 3845.2620 20739.6604 14444.2218 245.8826 -203575.6228 2496.4671 0.0000 0.0000 51987.1601 -109816.9688 298.7709 -161804.1289 -109454.9990 299.1151 93.8708 122.9831 759016.8701 3.7428 3.8976 PRESSURE: 4740200 -174.93 107.261 4.94577 107.261 51.086 230.515 4.94525 230.515 -212.375 GPRESSURE: 4740200 -92.4449 16.56 -31.7144 19.8528 152.936 285.413 92.1318 176.202 -304.902 PRESSAVG: 4740200 25.0863 -35.483 27.7924 -35.483 -18.2153 73.5607 27.7924 73.5606 12.4175 GPRESSAVG: 4740200 26.2875 -34.3868 28.345 -35.2823 -19.1176 72.4366 28.3718 77.0175 11.6754 TIMING: 4740200 CPU: 15287.8, 0.00315692/step Wall: 15287.8, 0.00315692/step, 0.227824 hours remaining, 234.882812 MB of memory in use. ENERGY: 4740200 3959.0511 20372.4917 14438.9272 239.1080 -203299.2354 2665.0572 0.0000 0.0000 51970.3744 -109654.2259 298.6745 -161624.6003 -109288.5606 299.1840 -112.0730 -81.4702 761402.3646 6.4295 6.2817 LDB: ============= START OF LOAD BALANCING ============== 15300.2 LDB: ============== END OF LOAD BALANCING =============== 15300.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15300.2 LDB: ============= START OF LOAD BALANCING ============== 15300.5 LDB: Largest compute 7037 load 0.031483 is 16.1% of average load 0.195590 LDB: Average compute 0.004379 is 2.2% of average load 0.195590 LDB: TIME 15300.6 LOAD: AVG 0.19559 MAX 0.213976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 15300.6 LOAD: AVG 0.19559 MAX 0.213976 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 15300.6 LOAD: AVG 0.19559 MAX 0.213976 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 15300.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15300.6 PRESSURE: 4740400 -104.29 160.248 -215.752 160.248 211.756 14.5163 -215.751 14.516 153.465 GPRESSURE: 4740400 -24.3033 115.787 -237.168 120.581 254.71 -21.8107 -153.682 -37.9133 127.656 PRESSAVG: 4740400 -1.81687 -13.7669 9.60105 -13.7668 0.859392 34.3635 9.60098 34.3636 16.2238 GPRESSAVG: 4740400 -1.40453 -13.9756 8.12048 -12.0821 0.729938 33.0238 9.78267 35.3222 15.3446 TIMING: 4740400 CPU: 15288.5, 0.00319098/step Wall: 15288.5, 0.00319098/step, 0.230105 hours remaining, 235.656250 MB of memory in use. ENERGY: 4740400 3910.4279 20255.6165 14398.1449 235.6933 -203589.1500 2866.8822 0.0000 0.0000 52155.3804 -109767.0048 299.7377 -161922.3852 -109402.1976 298.8591 86.9772 119.3544 759626.4658 5.0888 4.8900 PRESSURE: 4740600 441.927 226.536 136.684 226.535 -268.063 10.8433 136.683 10.8426 -81.6122 GPRESSURE: 4740600 402.905 322.097 78.9881 276.539 -111.97 37.0712 89.7813 -32.6383 -101.951 PRESSAVG: 4740600 -39.7097 -5.64757 24.6469 -5.6476 3.0318 4.09692 24.6469 4.09692 -12.0647 GPRESSAVG: 4740600 -41.2901 -4.85187 24.5447 -6.91136 4.19165 5.26538 26.7873 2.29089 -11.8743 TIMING: 4740600 CPU: 15289.1, 0.00313588/step Wall: 15289.1, 0.00313588/step, 0.225958 hours remaining, 235.925781 MB of memory in use. ENERGY: 4740600 4033.0552 20443.4065 14445.0090 247.1595 -203769.0444 2725.2077 0.0000 0.0000 52063.1563 -109812.0502 299.2077 -161875.2065 -109451.6981 298.1602 30.7509 62.9946 759595.3154 -16.2475 -16.3243 PRESSURE: 4740800 110.789 -65.2495 199.877 -65.2492 190.242 -28.0719 199.877 -28.0715 428.187 GPRESSURE: 4740800 135.114 -88.225 193.236 -76.3788 193.671 -38.5412 12.9309 80.5171 481.833 PRESSAVG: 4740800 5.34508 -52.1978 -0.923486 -52.1978 -13.5024 50.3652 -0.923447 50.3652 -19.5309 GPRESSAVG: 4740800 6.3569 -52.1882 0.467168 -51.3335 -14.7756 49.0179 -2.87301 51.5223 -18.7613 TIMING: 4740800 CPU: 15289.7, 0.0031046/step Wall: 15289.7, 0.0031046/step, 0.223531 hours remaining, 235.925781 MB of memory in use. ENERGY: 4740800 3992.2778 20337.9936 14452.2173 229.3113 -203761.6940 2734.0483 0.0000 0.0000 52000.3175 -110015.5283 298.8465 -162015.8458 -109651.0235 298.6602 243.0724 270.2060 761327.6662 -9.2294 -9.0600 PRESSURE: 4741000 38.3653 36.4294 188.827 36.4293 77.7202 93.1074 188.827 93.1068 247.649 GPRESSURE: 4741000 107.933 -15.026 277.046 18.0852 87.0052 161.746 93.6616 6.67708 250.068 PRESSAVG: 4741000 -9.61177 -14.5521 13.1291 -14.5521 -19.6164 50.2122 13.1291 50.2122 16.4866 GPRESSAVG: 4741000 -10.1562 -14.0162 12.5151 -14.902 -18.6827 52.4399 13.2294 49.0612 16.1347 TIMING: 4741000 CPU: 15290.3, 0.00315764/step Wall: 15290.3, 0.00315764/step, 0.227175 hours remaining, 235.925781 MB of memory in use. ENERGY: 4741000 3868.7623 20513.2888 14449.3903 263.9543 -203815.8167 2690.5961 0.0000 0.0000 51912.3068 -110117.5181 298.3407 -162029.8248 -109767.5987 297.9195 121.2448 148.3355 760024.8639 -4.2472 -4.2347 PRESSURE: 4741200 -191.678 -246.435 -155.014 -246.435 -274.463 135.585 -155.013 135.586 388.759 GPRESSURE: 4741200 -131.894 -144.154 -94.6978 -144.91 -201.481 193.889 -85.1943 133.588 355.029 PRESSAVG: 4741200 37.4802 2.47931 -5.39355 2.47934 -19.6709 46.6559 -5.3936 46.6559 -4.65413 GPRESSAVG: 4741200 37.1729 1.00374 -5.02136 4.21502 -19.2936 45.188 -6.56022 46.8747 -4.79915 TIMING: 4741200 CPU: 15291, 0.00317763/step Wall: 15291, 0.00317763/step, 0.228436 hours remaining, 235.925781 MB of memory in use. ENERGY: 4741200 3917.8635 20464.7420 14418.7291 235.6291 -203481.7194 2373.7128 0.0000 0.0000 52031.5328 -110039.5101 299.0259 -162071.0429 -109672.4623 297.8921 -25.7939 7.2179 759411.6292 4.3851 4.3600 PRESSURE: 4741400 115.254 -202.767 174.159 -202.767 227.399 84.4758 174.159 84.4753 -62.8606 GPRESSURE: 4741400 78.0411 -84.2375 186.637 -197.261 231.706 80.3884 -0.910555 -9.31843 77.962 PRESSAVG: 4741400 30.2523 -30.2211 30.3403 -30.2211 -45.3547 15.2736 30.3402 15.2735 9.52964 GPRESSAVG: 4741400 30.2612 -26.8257 28.7637 -32.8849 -45.6075 15.8003 31.2825 14.7105 10.4956 TIMING: 4741400 CPU: 15291.6, 0.00314119/step Wall: 15291.6, 0.00314119/step, 0.225642 hours remaining, 235.925781 MB of memory in use. ENERGY: 4741400 3874.0713 20518.8583 14435.9482 252.0656 -204130.3716 2963.7022 0.0000 0.0000 52211.1819 -109874.5442 300.0584 -162085.7261 -109519.8556 298.2368 93.2639 129.2364 759909.5430 -1.8576 -1.6169 PRESSURE: 4741600 31.5718 -65.2163 50.3634 -65.216 -137.103 -171.801 50.3643 -171.801 -225.823 GPRESSURE: 4741600 27.4811 44.7722 41.7779 -73.2069 -94.6307 -128.117 -77.2107 -106.971 -167.718 PRESSAVG: 4741600 -48.8141 -17.2106 15.6175 -17.2107 35.9735 -1.85627 15.6175 -1.85628 0.399095 GPRESSAVG: 4741600 -47.5904 -17.712 16.9256 -15.8062 35.2572 -2.62863 12.6175 -0.599129 0.0493133 TIMING: 4741600 CPU: 15292.2, 0.00312667/step Wall: 15292.2, 0.00312667/step, 0.224426 hours remaining, 235.925781 MB of memory in use. ENERGY: 4741600 3916.9913 20571.1041 14353.1581 251.9623 -203499.1313 2595.7506 0.0000 0.0000 52155.6621 -109654.5028 299.7393 -161810.1649 -109285.2438 299.0314 -110.4513 -78.2892 761085.5626 -4.1472 -4.0946 PRESSURE: 4741800 -121.451 -59.3729 -83.0595 -59.3737 -136.421 -14.4151 -83.0595 -14.4144 142.802 GPRESSURE: 4741800 -84.3988 81.7424 -61.1924 -161.245 -107.423 -21.0303 -20.5302 169.883 175.251 PRESSAVG: 4741800 7.56233 -12.0959 -24.1968 -12.0959 -23.7813 -16.1639 -24.1968 -16.1639 14.9756 GPRESSAVG: 4741800 7.83327 -13.1796 -23.7766 -11.4346 -23.8479 -14.7005 -23.0896 -16.5969 14.7906 TIMING: 4741800 CPU: 15292.8, 0.0031363/step Wall: 15292.8, 0.0031363/step, 0.224942 hours remaining, 235.925781 MB of memory in use. ENERGY: 4741800 3947.8317 20556.0457 14441.1413 244.4607 -203310.3557 2383.2594 0.0000 0.0000 52109.6333 -109627.9835 299.4748 -161737.6168 -109268.7092 299.4065 -38.3566 -5.5237 759199.5836 -0.4144 -0.4080 PRESSURE: 4742000 -28.3215 41.855 158.967 41.8548 29.9104 263.392 158.967 263.391 -139.979 GPRESSURE: 4742000 -49.8018 -101.116 212.128 71.098 144.594 208.966 87.4845 220.249 -146.863 PRESSAVG: 4742000 12.4598 -25.0502 44.5617 -25.0503 -18.8126 -59.1966 44.5617 -59.1966 -0.00812424 GPRESSAVG: 4742000 10.795 -26.9724 45.3521 -25.0796 -17.2663 -60.2882 43.1588 -58.6761 -0.473694 TIMING: 4742000 CPU: 15293.5, 0.00315779/step Wall: 15293.5, 0.00315779/step, 0.226308 hours remaining, 235.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 4012.3694 20591.1623 14465.4709 244.5561 -203080.2673 2144.4826 0.0000 0.0000 52032.5421 -109589.6838 299.0317 -161622.2259 -109225.5231 298.9619 -46.1300 -17.3572 760309.6164 -2.1203 -2.3150 PRESSURE: 4742200 163.446 86.4227 354.22 86.4224 72.336 -129.967 354.219 -129.967 140.696 GPRESSURE: 4742200 169.182 73.7987 416.697 27.9841 87.3977 -92.2725 177.206 -166.525 209.86 PRESSAVG: 4742200 -14.6336 -3.73034 30.8972 -3.7303 23.1364 14.0035 30.8972 14.0036 23.0117 GPRESSAVG: 4742200 -14.7766 -1.13149 28.6019 -6.52434 22.6179 13.3574 32.7354 10.8255 23.7123 TIMING: 4742200 CPU: 15294.1, 0.00313198/step Wall: 15294.1, 0.00313198/step, 0.224285 hours remaining, 235.925781 MB of memory in use. ENERGY: 4742200 3948.1269 20430.7835 14486.5318 251.9138 -203435.0477 2547.2241 0.0000 0.0000 52112.3717 -109658.0959 299.4905 -161770.4676 -109284.0252 299.4346 125.4929 155.4797 759298.0200 10.5049 10.5179 PRESSURE: 4742400 -349.472 15.1029 85.9628 15.1026 -169.887 -129.682 85.9628 -129.681 -265.906 GPRESSURE: 4742400 -265.071 -84.5603 88.0928 126.818 -209.563 -62.8342 -32.1402 -138.303 -236.322 PRESSAVG: 4742400 -60.0967 5.09307 -26.8277 5.09315 14.2273 -0.43261 -26.8277 -0.432576 12.1398 GPRESSAVG: 4742400 -59.2091 2.57153 -26.372 9.46405 13.641 0.566561 -26.1596 0.517651 12.2 TIMING: 4742400 CPU: 15294.7, 0.00314643/step Wall: 15294.7, 0.00314643/step, 0.225145 hours remaining, 235.925781 MB of memory in use. ENERGY: 4742400 3957.6068 20622.6316 14451.6481 250.9267 -203389.1619 2519.3196 0.0000 0.0000 52181.7924 -109405.2366 299.8895 -161587.0290 -109051.2489 299.0968 -261.7552 -236.9854 761932.5344 -11.2432 -11.1227 PRESSURE: 4742600 9.83548 -52.5091 122.602 -52.5087 20.6754 169.598 122.601 169.599 109.883 GPRESSURE: 4742600 3.63023 -36.1284 56.7687 -90.9432 63.1373 82.564 68.305 81.3131 162.701 PRESSAVG: 4742600 24.6476 -13.4908 -14.2528 -13.4906 -55.6618 -7.83397 -14.2528 -7.83397 -12.6555 GPRESSAVG: 4742600 22.8868 -12.6943 -15.7523 -15.2705 -53.8171 -8.93364 -12.8649 -7.14726 -12.9438 TIMING: 4742600 CPU: 15295.4, 0.00314845/step Wall: 15295.4, 0.00314845/step, 0.225114 hours remaining, 235.925781 MB of memory in use. ENERGY: 4742600 3980.3500 20613.5150 14459.9420 254.9073 -203300.4509 2413.7987 0.0000 0.0000 52077.3302 -109500.6077 299.2891 -161577.9379 -109147.9723 299.4992 46.7980 76.4895 760421.0676 -14.5566 -14.6247 PRESSURE: 4742800 140.91 211.76 25.5988 211.76 37.8515 -55.9389 25.599 -55.9385 200.578 GPRESSURE: 4742800 191.721 105.38 -5.77413 120.514 163.258 -110.51 29.9813 8.77213 118.13 PRESSAVG: 4742800 28.8146 -32.4679 0.444428 -32.4679 -13.7019 -6.25923 0.44441 -6.25918 -11.9403 GPRESSAVG: 4742800 30.0501 -32.6518 1.87662 -33.68 -15.4168 -6.00297 -0.107647 -3.59883 -11.2583 TIMING: 4742800 CPU: 15296, 0.00311782/step Wall: 15296, 0.00311782/step, 0.222751 hours remaining, 235.925781 MB of memory in use. ENERGY: 4742800 3945.7518 20640.9827 14442.9625 244.3545 -203094.5407 2328.9783 0.0000 0.0000 51916.8672 -109574.6437 298.3669 -161491.5109 -109205.1073 298.8779 126.4463 157.7033 762075.1352 1.0575 1.1250 PRESSURE: 4743000 -26.2941 128.428 -212.931 128.428 18.85 144.05 -212.93 144.049 -58.6412 GPRESSURE: 4743000 40.2133 28.6166 -208.804 190.912 52.262 116.65 -107.167 111.774 -68.9956 PRESSAVG: 4743000 23.5377 -43.8409 43.5658 -43.8409 10.1269 50.9778 43.5658 50.9778 -13.4674 GPRESSAVG: 4743000 23.8739 -43.489 41.8035 -43.3515 11.0581 51.2912 44.5957 50.0616 -14.3952 TIMING: 4743000 CPU: 15296.6, 0.00315621/step Wall: 15296.6, 0.00315621/step, 0.225318 hours remaining, 235.925781 MB of memory in use. ENERGY: 4743000 4017.8230 20483.9012 14482.3931 246.8871 -203467.8997 2706.8057 0.0000 0.0000 51971.0812 -109559.0083 298.6785 -161530.0895 -109207.6361 298.9680 -22.0284 7.8266 761072.8120 6.7324 6.8456 PRESSURE: 4743200 60.1932 -273.629 -72.4945 -273.629 -86.4149 86.9291 -72.4935 86.9285 -34.2828 GPRESSURE: 4743200 169.703 -306.161 -57.6574 -102.079 -111.232 12.3196 -106.718 9.36897 -20.9172 PRESSAVG: 4743200 22.8607 -43.1741 3.8494 -43.1741 24.2438 -1.92926 3.84937 -1.92923 1.26396 GPRESSAVG: 4743200 22.8897 -44.34 4.81353 -41.7612 23.5678 -3.30998 1.4648 -2.17674 1.94544 TIMING: 4743200 CPU: 15297.3, 0.00317132/step Wall: 15297.3, 0.00317133/step, 0.226221 hours remaining, 235.925781 MB of memory in use. ENERGY: 4743200 4009.3046 20431.5649 14477.6207 252.4347 -203498.0553 2686.7759 0.0000 0.0000 51957.2618 -109683.0927 298.5991 -161640.3545 -109319.1512 299.0698 -20.1681 12.5181 760032.6827 16.1228 16.1343 PRESSURE: 4743400 249.323 -90.1366 58.2737 -90.1366 -18.2416 -107.581 58.2729 -107.581 194.933 GPRESSURE: 4743400 207.431 -166.062 72.4401 -119.687 138.968 -122.67 47.9569 -6.33516 183.341 PRESSAVG: 4743400 -20.6365 1.12306 -33.9877 1.12309 -55.0405 -17.4856 -33.9877 -17.4856 -22.9189 GPRESSAVG: 4743400 -22.2583 1.89905 -33.3847 -0.255289 -53.6139 -16.9884 -34.0094 -15.7583 -22.8744 TIMING: 4743400 CPU: 15297.9, 0.00313211/step Wall: 15297.9, 0.00313211/step, 0.22325 hours remaining, 235.925781 MB of memory in use. ENERGY: 4743400 3997.9830 20411.3264 14420.9583 248.7560 -203548.8753 2791.0430 0.0000 0.0000 51932.6870 -109746.1216 298.4579 -161678.8086 -109385.3967 298.5745 142.0049 176.5802 761228.3062 -32.8653 -32.9155 PRESSURE: 4743600 -24.708 215.86 -91.1096 215.86 463.217 177.082 -91.1089 177.082 125.785 GPRESSURE: 4743600 30.5325 240.945 -100.17 122.068 478.004 100.563 -74.834 7.26062 141.688 PRESSAVG: 4743600 1.60108 60.6366 -15.5772 60.6365 53.1885 19.7532 -15.5773 19.7533 17.1366 GPRESSAVG: 4743600 2.05202 61.626 -16.024 58.7575 52.9733 20.3495 -14.3569 17.1342 17.173 TIMING: 4743600 CPU: 15298.5, 0.00314621/step Wall: 15298.5, 0.00314621/step, 0.22408 hours remaining, 235.925781 MB of memory in use. ENERGY: 4743600 3957.2653 20487.7117 14373.5784 251.6489 -203537.1586 2856.9807 0.0000 0.0000 51793.8110 -109816.1627 297.6597 -161609.9737 -109455.6553 298.8730 188.0980 216.7414 760643.5526 23.9754 24.0661 PRESSURE: 4743800 -161.763 -73.6554 36.2008 -73.6552 -164.559 80.0121 36.2014 80.0122 80.441 GPRESSURE: 4743800 -51.2695 -72.5182 11.5699 -178.686 -179.868 88.0056 96.518 -30.5768 79.8102 PRESSAVG: 4743800 -3.81724 31.4869 0.885073 31.4869 18.6298 76.5264 0.885115 76.5265 6.68757 GPRESSAVG: 4743800 -3.49767 29.6966 1.9413 33.4722 16.9993 77.2527 -0.306575 76.0849 7.95752 TIMING: 4743800 CPU: 15299.1, 0.00311016/step Wall: 15299.1, 0.00311016/step, 0.22134 hours remaining, 235.925781 MB of memory in use. ENERGY: 4743800 3987.7220 20359.4071 14458.3654 241.3295 -203186.4221 2335.4299 0.0000 0.0000 52332.9544 -109471.2139 300.7582 -161804.1682 -109114.8496 298.8790 -81.9604 -50.4423 761352.4742 7.1667 7.1530 PRESSURE: 4744000 23.6626 50.6544 -59.8245 50.6544 175.764 469.041 -59.8248 469.041 64.0296 GPRESSURE: 4744000 96.6278 -30.904 -18.3642 91.3692 145.274 409.614 -126.204 335.986 89.4907 PRESSAVG: 4744000 -0.439104 -34.6817 50.55 -34.6817 32.6177 24.4151 50.5499 24.4151 2.81243 GPRESSAVG: 4744000 0.108523 -34.862 53.0989 -34.1524 32.9986 22.4031 50.0688 24.6871 1.76774 TIMING: 4744000 CPU: 15299.8, 0.0031679/step Wall: 15299.8, 0.0031679/step, 0.225273 hours remaining, 235.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 4001.7009 20584.9927 14454.9725 248.5646 -203489.4839 2573.7854 0.0000 0.0000 52011.5040 -109613.9638 298.9108 -161625.4678 -109261.0402 299.2834 87.8186 110.4641 761919.1881 11.6637 11.6249 PRESSURE: 4744200 -53.4962 2.97397 -41.3306 2.9742 -146.977 42.6535 -41.3306 42.6545 -35.301 GPRESSURE: 4744200 -26.7211 19.9518 -157.705 -39.23 -78.5849 11.8114 -90.1681 58.1369 -32.8127 PRESSAVG: 4744200 -16.673 2.99093 -61.794 2.9909 15.6948 77.0478 -61.794 77.0478 1.15744 GPRESSAVG: 4744200 -16.5697 3.09265 -64.4534 2.60588 16.1413 78.7183 -60.2516 75.9281 1.24576 TIMING: 4744200 CPU: 15300.4, 0.00317704/step Wall: 15300.4, 0.00317704/step, 0.225746 hours remaining, 235.925781 MB of memory in use. ENERGY: 4744200 4005.8869 20459.8044 14434.3046 246.9250 -203442.3185 2519.9875 0.0000 0.0000 51959.5973 -109815.8129 298.6125 -161775.4102 -109456.0544 299.1963 -78.5915 -46.0396 760035.6227 0.0598 0.2725 LDB: ============= START OF LOAD BALANCING ============== 15312.8 LDB: ============== END OF LOAD BALANCING =============== 15312.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15312.8 LDB: ============= START OF LOAD BALANCING ============== 15313.1 LDB: Largest compute 7037 load 0.034471 is 17.6% of average load 0.195589 LDB: Average compute 0.004376 is 2.2% of average load 0.195589 LDB: TIME 15313.1 LOAD: AVG 0.195589 MAX 0.21496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 15313.1 LOAD: AVG 0.195589 MAX 0.21496 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 15313.1 LOAD: AVG 0.195589 MAX 0.21496 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 15313.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15313.2 PRESSURE: 4744400 351.742 75.9279 -14.5472 75.9269 117.238 -123.014 -14.5464 -123.015 -36.7567 GPRESSURE: 4744400 338.106 168.397 -45.545 -61.6751 147.18 -94.027 -26.8051 -76.6631 47.5181 PRESSAVG: 4744400 68.6538 11.448 -32.1775 11.448 -15.8319 46.0933 -32.1775 46.0934 22.3748 GPRESSAVG: 4744400 67.4536 14.4272 -31.2491 11.1915 -15.2693 45.1424 -34.9378 48.7001 22.928 TIMING: 4744400 CPU: 15301.1, 0.00324296/step Wall: 15301.1, 0.00324296/step, 0.23025 hours remaining, 237.128906 MB of memory in use. ENERGY: 4744400 3870.7257 20372.7381 14437.9203 251.1126 -203380.5072 2448.9882 0.0000 0.0000 52232.1721 -109766.8502 300.1790 -161999.0223 -109396.4579 299.2327 144.0745 177.6012 759311.2501 25.0656 25.0374 PRESSURE: 4744600 145.154 123.373 -190.917 123.373 62.4133 147.41 -190.916 147.41 -19.6076 GPRESSURE: 4744600 227.288 31.8742 -180.991 24.6863 2.8829 132.184 -42.2916 34.6106 9.87534 PRESSAVG: 4744600 4.46878 3.42298 -5.36204 3.42295 -54.9268 -10.8397 -5.36205 -10.8396 10.3052 GPRESSAVG: 4744600 5.44676 0.0351148 -4.87318 2.49162 -56.1382 -10.4799 -4.41488 -10.3489 10.0898 TIMING: 4744600 CPU: 15301.7, 0.00314469/step Wall: 15301.7, 0.00314469/step, 0.223098 hours remaining, 237.128906 MB of memory in use. ENERGY: 4744600 3877.6497 20476.2967 14405.1563 252.1123 -203322.1055 2492.7857 0.0000 0.0000 51798.2227 -110019.8821 297.6851 -161818.1048 -109663.9727 298.4455 62.6533 80.0153 761630.7676 -13.3843 -13.5339 PRESSURE: 4744800 -70.8382 -119.315 -160.509 -119.315 -73.0807 -173.4 -160.509 -173.4 94.966 GPRESSURE: 4744800 -8.80962 -225.783 -185.729 -170.294 -27.7476 -250.77 -130.994 -153.466 74.824 PRESSAVG: 4744800 81.7865 -96.9561 -26.3399 -96.9562 -89.2981 22.6055 -26.3399 22.6056 -1.47566 GPRESSAVG: 4744800 80.9368 -96.2947 -25.6859 -97.3388 -87.5831 23.5822 -24.9696 21.2945 -1.82436 TIMING: 4744800 CPU: 15302.3, 0.00318326/step Wall: 15302.3, 0.00318326/step, 0.225658 hours remaining, 237.128906 MB of memory in use. ENERGY: 4744800 4010.8089 20271.5479 14449.1612 232.1830 -203635.4021 2455.8243 0.0000 0.0000 52063.4124 -110152.4644 299.2091 -162215.8768 -109783.8291 298.2055 -16.3177 12.7556 760365.1222 -2.9957 -2.8235 PRESSURE: 4745000 -49.9684 -97.6459 21.3775 -97.6465 -186.557 18.618 21.3767 18.6174 -107.453 GPRESSURE: 4745000 -13.0145 -176.949 -43.967 -98.5227 -97.0736 -24.2391 -3.37941 125.148 -149.656 PRESSAVG: 4745000 82.551 -75.0819 -47.4641 -75.082 -52.6159 2.49708 -47.4641 2.49704 -6.50202 GPRESSAVG: 4745000 83.0564 -74.2115 -48.9458 -73.3789 -52.9115 1.55888 -47.352 3.66899 -6.82817 TIMING: 4745000 CPU: 15302.9, 0.00313922/step Wall: 15302.9, 0.00313922/step, 0.222362 hours remaining, 237.128906 MB of memory in use. ENERGY: 4745000 4032.4886 20546.3753 14442.3390 228.6838 -203303.8105 2260.8863 0.0000 0.0000 51666.3087 -110126.7288 296.9270 -161793.0375 -109770.9417 297.8636 -114.6596 -86.5815 760239.1429 7.8110 7.7722 PRESSURE: 4745200 -3.18536 23.3235 -93.5313 23.3247 94.8841 -133.502 -93.5315 -133.503 331.088 GPRESSURE: 4745200 122.494 3.76179 -130.232 159.826 66.903 -67.8471 -105.326 -178.455 332.219 PRESSAVG: 4745200 -1.95151 -26.3567 -15.2013 -26.3567 12.0399 -18.8523 -15.2013 -18.8523 2.58219 GPRESSAVG: 4745200 -1.88779 -26.5351 -16.4235 -25.0085 11.0177 -15.9843 -15.1639 -22.8591 3.01681 TIMING: 4745200 CPU: 15303.6, 0.00312663/step Wall: 15303.6, 0.00312663/step, 0.221296 hours remaining, 237.128906 MB of memory in use. ENERGY: 4745200 4008.5417 20348.2641 14504.9345 247.3504 -203878.1438 2793.5424 0.0000 0.0000 52086.1075 -109889.4031 299.3396 -161975.5106 -109531.0631 298.2094 140.9290 173.8720 759927.0606 4.2235 4.0489 PRESSURE: 4745400 77.5321 86.88 -83.6769 86.8802 242.359 -24.0946 -83.6764 -24.0935 174.481 GPRESSURE: 4745400 147.137 32.4602 -121.006 0.950659 288.327 26.3043 -92.0999 -47.9593 142.885 PRESSAVG: 4745400 6.38752 3.82892 -13.7614 3.82896 16.4419 -8.62526 -13.7615 -8.62528 -1.45764 GPRESSAVG: 4745400 6.95388 5.35794 -11.9255 1.08617 16.8781 -10.9234 -14.9915 -4.13959 -1.78804 TIMING: 4745400 CPU: 15304.2, 0.00314163/step Wall: 15304.2, 0.00314163/step, 0.222183 hours remaining, 237.128906 MB of memory in use. ENERGY: 4745400 3956.5950 20519.6232 14422.3210 249.6302 -203571.5436 2528.4987 0.0000 0.0000 51808.0501 -110086.8253 297.7416 -161894.8754 -109725.3857 298.6849 164.7905 192.7831 759876.6787 7.1239 7.3480 PRESSURE: 4745600 -180.955 -100.92 15.0536 -100.92 -101.98 81.2764 15.0533 81.2759 -5.53837 GPRESSURE: 4745600 -51.1084 -129.727 56.6064 -121.665 -104.962 142.746 -71.728 251.505 -56.0114 PRESSAVG: 4745600 10.4725 45.3497 -32.4374 45.3497 -17.0649 33.301 -32.4375 33.301 0.732982 GPRESSAVG: 4745600 10.4485 45.8869 -34.1328 44.9688 -15.9508 33.66 -30.9601 32.6931 -0.26094 TIMING: 4745600 CPU: 15304.8, 0.00317598/step Wall: 15304.8, 0.00317598/step, 0.224436 hours remaining, 237.128906 MB of memory in use. ENERGY: 4745600 3987.4480 20533.0099 14371.5497 237.1587 -203695.5361 2391.0425 0.0000 0.0000 51860.6133 -110314.7140 298.0437 -162175.3273 -109961.9635 298.3228 -96.1579 -70.6939 760869.3349 -1.9531 -1.9211 PRESSURE: 4745800 150.612 132.246 -110.89 132.245 27.2339 -111.88 -110.89 -111.881 196.182 GPRESSURE: 4745800 246.216 114.168 -74.4809 140.772 14.0139 -76.8093 -40.2221 -206.283 202.347 PRESSAVG: 4745800 29.6378 -14.4389 -36.1001 -14.4388 -48.8042 29.7395 -36.1001 29.7395 -10.008 GPRESSAVG: 4745800 28.718 -16.9184 -33.5566 -12.0387 -48.8148 30.4439 -38.51 28.3895 -8.91225 TIMING: 4745800 CPU: 15305.5, 0.0031457/step Wall: 15305.5, 0.0031457/step, 0.222121 hours remaining, 237.128906 MB of memory in use. ENERGY: 4745800 4001.0538 20440.8339 14455.5125 243.4230 -203725.5096 2687.6993 0.0000 0.0000 51651.3337 -110245.6534 296.8409 -161896.9872 -109884.6162 298.0114 124.6759 154.1925 760277.7411 -9.7248 -9.6697 PRESSURE: 4746000 129.416 -54.814 55.7207 -54.8136 204.405 379.006 55.7203 379.005 18.0491 GPRESSURE: 4746000 154.634 -20.3552 91.8487 -116.468 270.028 466.52 142.654 281.06 27.3892 PRESSAVG: 4746000 -5.33424 -36.0082 -84.3976 -36.0081 4.70678 30.2761 -84.3975 30.2761 -6.7391 GPRESSAVG: 4746000 -4.51633 -31.8324 -86.8422 -38.4715 4.00082 29.497 -83.5941 31.8517 -6.46073 TIMING: 4746000 CPU: 15306.1, 0.00311006/step Wall: 15306.1, 0.00311006/step, 0.219432 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4746000 3940.9665 20349.5289 14401.5685 257.8125 -203541.8568 2529.4622 0.0000 0.0000 51862.3008 -110200.2173 298.0534 -162062.5180 -109835.6216 297.7438 117.2898 150.6838 758994.7240 -2.4555 -2.3254 PRESSURE: 4746200 397.04 -162.35 -129.021 -162.349 31.4383 169.534 -129.022 169.533 -41.7946 GPRESSURE: 4746200 322.849 -139.055 -124.139 -118.505 177.559 134.897 -24.6337 230.767 -22.3071 PRESSAVG: 4746200 4.97058 -73.2029 -25.7049 -73.2029 -1.17048 80.852 -25.7049 80.852 10.7996 GPRESSAVG: 4746200 4.85163 -78.5359 -25.78 -70.1924 -0.62398 79.889 -23.806 80.7922 10.4702 TIMING: 4746200 CPU: 15306.7, 0.00311163/step Wall: 15306.7, 0.00311163/step, 0.21937 hours remaining, 237.128906 MB of memory in use. ENERGY: 4746200 3932.5512 20670.9423 14438.2311 227.6104 -203541.6046 2536.4674 0.0000 0.0000 51818.2228 -109917.5793 297.8000 -161735.8022 -109553.3359 297.8769 128.8945 159.3672 760448.0626 4.8666 4.8993 PRESSURE: 4746400 -23.9488 72.721 14.5774 72.7224 335.47 95.3571 14.5771 95.3569 449.256 GPRESSURE: 4746400 4.90717 148.017 36.3191 54.3319 376.993 43.1687 -40.3657 161.616 468.038 PRESSAVG: 4746400 22.6598 -71.1414 -44.5381 -71.1414 -25.1227 14.2559 -44.5381 14.256 -13.1377 GPRESSAVG: 4746400 21.5497 -69.4135 -46.6302 -72.9508 -25.3876 14.7374 -45.5118 15.7574 -12.3614 TIMING: 4746400 CPU: 15307.3, 0.00311717/step Wall: 15307.3, 0.00311717/step, 0.219587 hours remaining, 237.128906 MB of memory in use. ENERGY: 4746400 3930.2617 20487.1636 14456.9712 234.4194 -203394.9605 2365.4451 0.0000 0.0000 51791.2257 -110129.4738 297.6449 -161920.6996 -109766.8599 298.0335 253.5925 283.3126 759464.6923 -5.2002 -5.3998 PRESSURE: 4746600 307.255 192.196 -183.229 192.196 214.854 15.5402 -183.23 15.5408 -144.39 GPRESSURE: 4746600 325.231 40.9206 -86.6498 105.089 355.515 -48.2061 -46.0384 -115.482 -205.369 PRESSAVG: 4746600 -44.3661 -8.24648 -27.0998 -8.24649 76.1816 -21.9697 -27.0999 -21.9697 -21.617 GPRESSAVG: 4746600 -43.2612 -8.66102 -25.5492 -6.64384 76.7559 -20.3992 -28.4146 -26.0107 -22.8431 TIMING: 4746600 CPU: 15308, 0.00315448/step Wall: 15308, 0.00315448/step, 0.22204 hours remaining, 237.128906 MB of memory in use. ENERGY: 4746600 3961.4074 20459.4025 14494.9550 244.3478 -204016.5520 2813.2826 0.0000 0.0000 52024.4623 -110018.6944 298.9853 -162043.1567 -109657.9600 298.6177 125.9062 158.4591 759088.0123 3.3995 3.5505 PRESSURE: 4746800 -185.747 17.4813 -61.7208 17.4819 -224.871 153.262 -61.7211 153.262 -343.179 GPRESSURE: 4746800 -193.938 -58.6686 -16.3949 4.45822 -125.517 58.2764 -24.0569 145.155 -343.561 PRESSAVG: 4746800 -49.6491 -15.8929 15.1263 -15.893 53.5195 -3.52678 15.1262 -3.52686 11.1063 GPRESSAVG: 4746800 -50.8582 -16.3419 15.1289 -16.3019 53.606 -5.36051 17.1236 -1.49513 12.4114 TIMING: 4746800 CPU: 15308.6, 0.00313135/step Wall: 15308.6, 0.00313135/step, 0.220238 hours remaining, 237.128906 MB of memory in use. ENERGY: 4746800 3994.8017 20437.2468 14551.1208 237.7293 -203356.8442 2279.0019 0.0000 0.0000 51779.5154 -110077.4284 297.5776 -161856.9438 -109721.5109 297.9434 -251.2656 -221.0053 760763.0634 4.9922 5.0531 PRESSURE: 4747000 -150.538 80.3849 260.113 80.3853 -347.576 -36.1341 260.113 -36.1356 -306.84 GPRESSURE: 4747000 -167.673 222.538 184.062 52.0949 -295.735 -4.85813 81.7996 -56.2 -252.158 PRESSAVG: 4747000 1.23642 -9.54007 16.455 -9.54012 7.52011 20.5306 16.4551 20.5306 -15.46 GPRESSAVG: 4747000 1.11408 -7.74647 17.6587 -9.06666 8.01271 20.7042 14.6113 20.9081 -16.4915 TIMING: 4747000 CPU: 15309.2, 0.00314463/step Wall: 15309.2, 0.00314463/step, 0.220998 hours remaining, 237.128906 MB of memory in use. ENERGY: 4747000 3988.5264 20500.0409 14499.4249 249.6519 -203181.9939 2218.8506 0.0000 0.0000 51750.5149 -109974.9843 297.4109 -161725.4992 -109618.6465 298.4578 -268.3180 -238.5218 760299.2701 -2.2345 -2.4549 PRESSURE: 4747200 8.83214 -154.092 66.7614 -154.091 -165.928 -98.5808 66.762 -98.5805 150.639 GPRESSURE: 4747200 14.0097 -94.0689 89.5258 -155.939 -115.669 -23.2648 60.9231 -107.429 182.36 PRESSAVG: 4747200 7.18266 -74.9149 32.9821 -74.9149 10.215 -18.6206 32.9821 -18.6206 -4.14411 GPRESSAVG: 4747200 8.42924 -73.9073 31.782 -76.0042 9.97994 -18.2142 33.5991 -20.2403 -4.86289 TIMING: 4747200 CPU: 15309.8, 0.00315854/step Wall: 15309.8, 0.00315854/step, 0.2218 hours remaining, 237.128906 MB of memory in use. ENERGY: 4747200 3986.3725 20607.5745 14458.4526 253.9313 -203505.2290 2456.0258 0.0000 0.0000 51815.4378 -109927.4345 297.7840 -161742.8724 -109564.8241 298.0109 -2.1522 26.9003 760238.9575 4.4179 4.5154 PRESSURE: 4747400 8.94469 -134.845 85.1907 -134.845 28.12 61.4524 85.1912 61.4522 168.036 GPRESSURE: 4747400 29.4943 -131.45 104.345 -112.917 96.907 125.02 50.1286 -61.7943 187.372 PRESSAVG: 4747400 -36.2148 -47.3543 -9.29932 -47.3542 -11.1356 66.4691 -9.29923 66.4691 -10.5908 GPRESSAVG: 4747400 -37.6032 -48.926 -8.36969 -47.1485 -10.6679 65.7295 -10.3701 67.0362 -9.80023 TIMING: 4747400 CPU: 15310.5, 0.00316691/step Wall: 15310.5, 0.00316691/step, 0.222212 hours remaining, 237.128906 MB of memory in use. ENERGY: 4747400 4009.9098 20371.8440 14499.9642 259.5203 -203337.6599 2466.1262 0.0000 0.0000 51989.9297 -109740.3657 298.7868 -161730.2954 -109377.4849 298.9736 68.3668 104.5913 758162.3027 -19.3137 -19.3571 PRESSURE: 4747600 -181.722 -5.6678 52.6357 -5.66825 -130.79 139.816 52.6364 139.816 53.8926 GPRESSURE: 4747600 -177.189 27.9467 6.13264 -116.522 -71.4822 191.163 168.063 -9.33897 78.8859 PRESSAVG: 4747600 -3.8664 -63.9333 -10.9488 -63.9333 46.67 33.0009 -10.9487 33.001 -11.7067 GPRESSAVG: 4747600 -2.99471 -62.3228 -13.0994 -63.2194 46.4314 34.6257 -9.21514 31.2542 -12.9376 TIMING: 4747600 CPU: 15311.1, 0.00312716/step Wall: 15311.1, 0.00312716/step, 0.219249 hours remaining, 237.128906 MB of memory in use. ENERGY: 4747600 3899.9813 20678.7125 14434.7029 253.3057 -203083.1753 1992.3888 0.0000 0.0000 51929.1494 -109894.9348 298.4375 -161824.0842 -109531.6732 298.6065 -86.2064 -56.5949 758823.7346 10.3656 10.1664 PRESSURE: 4747800 145.185 -31.9036 12.3233 -31.9035 40.5575 -157.014 12.3243 -157.014 41.248 GPRESSURE: 4747800 204.39 -83.62 24.6874 127.534 133.006 -146.48 9.03787 -103.701 -13.7511 PRESSAVG: 4747800 -3.87749 -17.4845 -11.1346 -17.4845 15.1112 -24.8849 -11.1346 -24.8849 -15.9076 GPRESSAVG: 4747800 -4.37417 -18.9817 -10.0706 -18.1779 15.3306 -24.5861 -13.2746 -25.4745 -15.9899 TIMING: 4747800 CPU: 15311.7, 0.0031181/step Wall: 15311.7, 0.0031181/step, 0.21844 hours remaining, 237.128906 MB of memory in use. ENERGY: 4747800 3908.5195 20523.7695 14468.8353 242.6483 -203688.2937 2427.7204 0.0000 0.0000 52056.4951 -110060.3056 299.1694 -162116.8006 -109698.5019 298.5140 75.6633 107.8817 758061.1006 -1.5580 -1.6778 PRESSURE: 4748000 -375.898 -157.275 96.2306 -157.274 57.2472 120.46 96.2306 120.459 -352.223 GPRESSURE: 4748000 -195.604 -147.815 155.394 -160.392 -88.9108 199.016 34.1061 -21.7185 -302.135 PRESSAVG: 4748000 -5.8212 12.8987 37.776 12.8987 3.6433 -0.98353 37.776 -0.983538 -2.47774 GPRESSAVG: 4748000 -5.64118 14.5949 38.7049 12.7595 2.60381 -1.35212 40.1972 0.0648953 -0.661702 TIMING: 4748000 CPU: 15312.4, 0.00314196/step Wall: 15312.4, 0.00314196/step, 0.219937 hours remaining, 237.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4748000 3949.0063 20545.6201 14443.5388 228.9685 -203320.4997 2279.1205 0.0000 0.0000 52046.0929 -109828.1525 299.1096 -161874.2454 -109470.3952 299.2369 -223.6246 -195.5500 758671.7306 -1.5519 -1.2330 PRESSURE: 4748200 -255.294 92.0721 147.747 92.0718 -92.1507 -255.801 147.747 -255.801 -152.348 GPRESSURE: 4748200 -186.586 136.337 101.5 145.099 -70.4561 -269.683 126.625 -120.726 -157.869 PRESSAVG: 4748200 26.8159 30.7781 51.5574 30.7781 10.0444 -28.4094 51.5574 -28.4094 3.11611 GPRESSAVG: 4748200 26.0519 30.7055 49.0136 31.0973 10.7072 -30.1841 49.4045 -25.8215 3.29621 TIMING: 4748200 CPU: 15313, 0.00312956/step Wall: 15313, 0.00312956/step, 0.218896 hours remaining, 237.128906 MB of memory in use. ENERGY: 4748200 4014.9629 20480.4609 14376.2568 262.1008 -203456.2876 2414.1035 0.0000 0.0000 52018.3252 -109890.0776 298.9500 -161908.4028 -109527.5886 298.6690 -166.5977 -138.3038 758289.9043 13.3255 13.3517 LDB: ============= START OF LOAD BALANCING ============== 15325.4 LDB: ============== END OF LOAD BALANCING =============== 15325.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15325.4 LDB: ============= START OF LOAD BALANCING ============== 15325.7 LDB: Largest compute 7037 load 0.033663 is 17.2% of average load 0.195678 LDB: Average compute 0.004352 is 2.2% of average load 0.195678 LDB: TIME 15325.7 LOAD: AVG 0.195678 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.461 MB LDB: TIME 15325.7 LOAD: AVG 0.195678 MAX 0.214615 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: TIME 15325.7 LOAD: AVG 0.195678 MAX 0.214615 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: ============== END OF LOAD BALANCING =============== 15325.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15325.7 PRESSURE: 4748400 -89.823 111.06 58.8901 111.06 63.0223 -83.2462 58.8902 -83.2453 -82.0575 GPRESSURE: 4748400 -115.447 -31.6156 14.4387 92.8345 151.728 -192.396 17.1429 -143.082 -68.1262 PRESSAVG: 4748400 -1.50354 -10.8862 -12.8182 -10.8862 35.457 -42.2148 -12.8181 -42.2148 -0.687876 GPRESSAVG: 4748400 -0.353615 -13.6481 -11.1214 -9.65066 34.7974 -41.9891 -12.8244 -44.1827 -1.30765 TIMING: 4748400 CPU: 15313.6, 0.00319756/step Wall: 15313.6, 0.00319756/step, 0.223474 hours remaining, 237.707031 MB of memory in use. ENERGY: 4748400 3985.2781 20587.7457 14482.6112 245.7255 -203772.9075 2499.9978 0.0000 0.0000 52187.6084 -109783.9409 299.9229 -161971.5492 -109416.1404 299.1361 -36.2861 -10.6151 758126.0871 11.0885 11.0454 PRESSURE: 4748600 -110.004 -125.907 140.516 -125.907 -129.107 -54.7118 140.516 -54.7119 -102.906 GPRESSURE: 4748600 -56.5274 53.8933 136.758 -7.00644 -149.102 -73.4577 142.847 -76.4375 -59.8704 PRESSAVG: 4748600 -39.7996 -23.0499 22.645 -23.0499 -1.62729 36.3312 22.645 36.3313 22.4648 GPRESSAVG: 4748600 -41.2617 -22.0543 22.4539 -22.5978 -0.88746 37.3368 25.3534 37.1184 23.3894 TIMING: 4748600 CPU: 15314.2, 0.0031181/step Wall: 15314.2, 0.0031181/step, 0.217747 hours remaining, 238.160156 MB of memory in use. ENERGY: 4748600 3971.5156 20546.8771 14436.2633 253.5361 -203249.9875 2119.1253 0.0000 0.0000 51945.8270 -109976.8431 298.5334 -161922.6701 -109618.8953 298.5271 -114.0059 -88.4998 759850.2131 -6.3207 -6.2532 PRESSURE: 4748800 36.1125 -58.1612 19.5272 -58.1604 -483.972 -162.832 19.5265 -162.832 -534.27 GPRESSURE: 4748800 0.424986 -119.917 -55.8507 55.5274 -418.937 -101.889 -15.9713 -200.075 -501.021 PRESSAVG: 4748800 -15.092 4.75004 -25.9226 4.75001 -7.04411 6.32799 -25.9227 6.32807 -4.7831 GPRESSAVG: 4748800 -15.3905 6.87477 -26.1017 2.02105 -6.49555 5.29951 -26.7893 6.36875 -5.74228 TIMING: 4748800 CPU: 15314.9, 0.00311275/step Wall: 15314.9, 0.00311275/step, 0.217201 hours remaining, 238.160156 MB of memory in use. ENERGY: 4748800 4070.1662 20565.9945 14467.1475 251.3890 -203001.8042 2171.4041 0.0000 0.0000 51812.7704 -109662.9325 297.7687 -161475.7029 -109309.6567 299.1649 -327.3768 -306.5110 760966.4400 -8.9731 -9.2095 PRESSURE: 4749000 136.944 47.6711 -139.456 47.6717 234.733 240.765 -139.457 240.765 26.0136 GPRESSURE: 4749000 141.144 -27.1875 -173.165 41.4506 268.037 203.702 38.6857 213.744 70.6116 PRESSAVG: 4749000 -40.1074 -14.7736 36.5183 -14.7735 32.7774 33.7627 36.5183 33.7627 10.3572 GPRESSAVG: 4749000 -39.5635 -16.6524 37.4501 -12.246 32.0279 33.569 36.2265 33.8849 10.2442 TIMING: 4749000 CPU: 15315.5, 0.00312263/step Wall: 15315.5, 0.00312263/step, 0.217717 hours remaining, 238.160156 MB of memory in use. ENERGY: 4749000 4040.4323 20501.0931 14530.9161 246.5449 -203716.2195 2795.4178 0.0000 0.0000 52118.7977 -109483.0176 299.5274 -161601.8153 -109125.1686 299.2114 132.5637 159.9309 761108.7208 1.0091 0.9028 PRESSURE: 4749200 -248.444 -109.574 226.849 -109.574 -380.17 97.14 226.849 97.1381 -239.527 GPRESSURE: 4749200 -256.557 -67.3847 146.488 -136.183 -290.799 128.077 256.906 -36.3631 -244.684 PRESSAVG: 4749200 1.77303 -95.5147 38.1561 -95.5148 42.79 4.12458 38.1561 4.12461 16.413 GPRESSAVG: 4749200 2.10676 -94.0389 37.6561 -98.407 42.1043 4.52859 37.8458 5.48067 16.2713 TIMING: 4749200 CPU: 15316.1, 0.00311965/step Wall: 15316.1, 0.00311965/step, 0.217335 hours remaining, 238.160156 MB of memory in use. ENERGY: 4749200 4024.3631 20673.1874 14377.1572 236.8362 -203057.8585 2175.6422 0.0000 0.0000 52054.0484 -109516.6241 299.1553 -161570.6724 -109166.1908 299.6568 -289.3806 -264.0133 760933.1802 20.3253 20.1608 PRESSURE: 4749400 -178.757 -30.0968 214.446 -30.0963 -227.746 -272.522 214.446 -272.521 166.979 GPRESSURE: 4749400 -147.42 93.894 133.48 -18.0214 -150.336 -256.804 215.413 -194.205 138.8 PRESSAVG: 4749400 18.556 -21.0094 49.385 -21.0095 -4.04201 52.6577 49.385 52.6577 10.9862 GPRESSAVG: 4749400 18.5305 -22.812 49.3095 -20.048 -4.18176 52.3773 48.192 53.7469 11.4235 TIMING: 4749400 CPU: 15316.7, 0.0031156/step Wall: 15316.7, 0.0031156/step, 0.21688 hours remaining, 238.191406 MB of memory in use. ENERGY: 4749400 3968.5359 20641.4236 14463.3997 229.7108 -203314.1741 2508.2749 0.0000 0.0000 52027.8920 -109474.9374 299.0050 -161502.8294 -109112.5735 299.4238 -79.8417 -52.9854 760901.7471 8.5001 8.5907 PRESSURE: 4749600 4.8896 -222.474 -94.7591 -222.473 -205.79 95.9623 -94.7585 95.9632 124.203 GPRESSURE: 4749600 57.8669 -269.703 -58.1483 -212.356 -97.3094 57.2746 -177.763 -13.9827 44.349 PRESSAVG: 4749600 -22.3577 45.0812 -14.0686 45.0812 -15.0154 64.5582 -14.0685 64.558 -3.31554 GPRESSAVG: 4749600 -23.7748 45.0389 -14.6683 46.6952 -13.1298 66.2046 -13.4186 61.4059 -3.81853 TIMING: 4749600 CPU: 15317.4, 0.00310382/step Wall: 15317.4, 0.00310382/step, 0.215888 hours remaining, 238.191406 MB of memory in use. ENERGY: 4749600 3990.1719 20523.7671 14471.8245 241.3143 -203070.8874 2301.6688 0.0000 0.0000 52063.3809 -109478.7600 299.2090 -161542.1409 -109110.6828 299.3841 -25.5657 1.6355 759704.9411 -13.5629 -13.5744 PRESSURE: 4749800 26.827 -67.0429 159.74 -67.0434 155.298 89.7102 159.739 89.7112 337.306 GPRESSURE: 4749800 79.2174 -95.7947 195.265 -4.5199 169.678 170.482 181.257 108.256 356.291 PRESSAVG: 4749800 19.3015 -41.1915 11.808 -41.1914 -44.0847 5.82164 11.8082 5.82163 19.6545 GPRESSAVG: 4749800 20.778 -41.5077 12.7091 -41.9732 -45.7178 5.85611 11.7675 5.35823 19.6395 TIMING: 4749800 CPU: 15318, 0.00311709/step Wall: 15318, 0.00311709/step, 0.216638 hours remaining, 238.191406 MB of memory in use. ENERGY: 4749800 3984.4320 20488.2423 14485.8283 243.7584 -203112.3721 2352.3626 0.0000 0.0000 52244.0854 -109313.6631 300.2475 -161557.7485 -108948.4883 299.4540 173.1436 201.7288 760260.8540 -1.7096 -1.7668 PRESSURE: 4750000 102.105 38.7034 33.817 38.7038 28.9069 114.602 33.8172 114.602 -41.6541 GPRESSURE: 4750000 58.5902 44.1221 50.6837 37.5025 103.698 43.9353 -69.8644 66.3915 -0.467792 PRESSAVG: 4750000 3.316 -24.7572 -31.4362 -24.7573 -22.4202 12.6488 -31.4362 12.6488 -17.246 GPRESSAVG: 4750000 2.3919 -24.4644 -30.794 -25.6919 -21.2343 11.3804 -32.3893 14.1465 -17.2617 TIMING: 4750000 CPU: 15318.6, 0.00313882/step Wall: 15318.6, 0.00313881/step, 0.217973 hours remaining, 238.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4750000 3978.4682 20576.0149 14458.6133 251.7038 -203118.3012 2459.4052 0.0000 0.0000 52091.5119 -109302.5840 299.3706 -161394.0958 -108939.3523 300.2465 29.7860 53.9401 760787.9354 -12.1167 -12.0347 PRESSURE: 4750200 96.0906 44.8382 -98.9443 44.8382 -5.9599 139.889 -98.9437 139.888 -436.379 GPRESSURE: 4750200 28.5804 87.6192 38.776 58.1176 40.0713 104.701 -54.0822 212.484 -314.947 PRESSAVG: 4750200 43.7949 34.6422 71.8561 34.6421 -12.9841 -6.05741 71.8561 -6.05742 7.41516 GPRESSAVG: 4750200 43.8416 36.1048 71.8625 35.5828 -13.6367 -8.06249 73.7753 -6.42464 7.90195 TIMING: 4750200 CPU: 15319.2, 0.00311103/step Wall: 15319.2, 0.00311103/step, 0.215871 hours remaining, 238.191406 MB of memory in use. ENERGY: 4750200 3987.5594 20684.4528 14497.2530 242.4190 -203021.1089 2047.3482 0.0000 0.0000 52152.7830 -109409.2935 299.7228 -161562.0765 -109039.6970 299.9920 -115.4160 -82.0985 758237.5031 12.7420 12.7023 PRESSURE: 4750400 14.2884 110.132 222.676 110.132 18.1144 -264.479 222.676 -264.479 -91.6884 GPRESSURE: 4750400 116.396 131.049 255.067 -8.00208 36.5975 -172.599 170.193 -274.45 -124.182 PRESSAVG: 4750400 4.62292 -27.8738 39.1485 -27.8739 -36.7881 18.1786 39.1485 18.1785 21.6204 GPRESSAVG: 4750400 4.92576 -28.9905 39.1396 -29.048 -37.4747 19.642 38.6285 18.7799 21.9559 TIMING: 4750400 CPU: 15319.9, 0.00309502/step Wall: 15319.9, 0.00309502/step, 0.214588 hours remaining, 238.191406 MB of memory in use. ENERGY: 4750400 3944.3763 20599.4861 14460.5068 247.6804 -203399.4085 2584.5420 0.0000 0.0000 52009.4861 -109553.3307 298.8992 -161562.8168 -109185.9745 299.2434 -19.7619 9.6037 759701.3427 -3.5149 -3.5310 PRESSURE: 4750600 -37.2046 -172.617 84.8506 -172.617 202.367 53.6197 84.8513 53.6191 -266.424 GPRESSURE: 4750600 -31.1052 -135.946 5.71673 -148.625 293.767 82.5346 90.2728 83.1348 -277.734 PRESSAVG: 4750600 40.5674 -54.1737 46.1349 -54.1736 -53.3953 17.7529 46.1349 17.7528 -6.73385 GPRESSAVG: 4750600 40.3529 -51.707 43.6565 -55.5465 -52.5853 18.3158 46.7589 17.2267 -7.22175 TIMING: 4750600 CPU: 15320.5, 0.00311213/step Wall: 15320.5, 0.00311213/step, 0.215601 hours remaining, 238.191406 MB of memory in use. ENERGY: 4750600 3970.2680 20524.3411 14549.8022 242.4988 -203224.0490 2323.4725 0.0000 0.0000 52039.2155 -109574.4509 299.0701 -161613.6665 -109209.8183 299.2891 -33.7538 -5.0238 760291.1019 -6.5206 -6.4847 PRESSURE: 4750800 -61.7335 160.982 -42.4355 160.983 73.5895 -121.985 -42.4367 -121.986 139.424 GPRESSURE: 4750800 33.7189 159.625 -65.2749 24.4327 97.6132 -68.6535 36.9803 -31.9728 94.4258 PRESSAVG: 4750800 18.8386 -12.1296 -25.9624 -12.1296 7.47768 37.2453 -25.9623 37.2453 2.40688 GPRESSAVG: 4750800 19.6423 -13.0768 -24.5715 -10.9691 6.55686 34.9923 -26.0251 35.8581 2.21831 TIMING: 4750800 CPU: 15321.1, 0.00310889/step Wall: 15321.1, 0.00310889/step, 0.215204 hours remaining, 238.191406 MB of memory in use. ENERGY: 4750800 3985.5581 20585.4823 14520.1206 239.1606 -203491.3370 2467.0071 0.0000 0.0000 52229.2553 -109464.7529 300.1622 -161694.0082 -109098.2430 299.3090 50.4265 75.2526 760110.8693 9.5744 9.4725 PRESSURE: 4751000 110.857 16.2871 46.0427 16.2874 201.367 -157.182 46.0432 -157.182 -247.863 GPRESSURE: 4751000 112.447 -54.5097 24.2706 -3.2607 242.192 -148.595 181.682 55.1085 -190.252 PRESSAVG: 4751000 73.7273 -53.212 53.9498 -53.212 -54.1253 -27.1171 53.9498 -27.1172 9.36191 GPRESSAVG: 4751000 73.6217 -55.8937 54.8853 -51.8357 -54.1454 -26.4027 55.3318 -24.1958 9.25654 TIMING: 4751000 CPU: 15321.7, 0.0031132/step Wall: 15321.7, 0.0031132/step, 0.21533 hours remaining, 238.191406 MB of memory in use. ENERGY: 4751000 3989.5145 20525.8291 14511.5155 250.6664 -203405.9483 2670.0041 0.0000 0.0000 51887.8402 -109570.5784 298.2001 -161458.4186 -109211.2170 299.7211 21.4538 54.7957 762428.7182 9.6546 9.5776 PRESSURE: 4751200 362.007 152.191 90.092 152.19 303.495 16.148 90.0927 16.1475 537.878 GPRESSURE: 4751200 465.09 154.423 91.258 92.116 265.614 -66.6269 27.0693 -71.5883 535.916 PRESSAVG: 4751200 19.6031 -51.2613 12.3401 -51.2613 12.2403 9.65715 12.34 9.65715 7.78769 GPRESSAVG: 4751200 18.6499 -48.1938 11.4979 -51.791 12.1671 8.4737 12.4432 10.1803 8.50476 TIMING: 4751200 CPU: 15322.3, 0.00311661/step Wall: 15322.3, 0.00311661/step, 0.215392 hours remaining, 238.191406 MB of memory in use. ENERGY: 4751200 3834.9587 20677.4204 14490.6472 241.1281 -203925.2652 3027.6407 0.0000 0.0000 52176.4785 -109476.9916 299.8589 -161653.4701 -109119.3720 299.0229 401.1265 422.2066 762081.8043 13.2104 13.1073 PRESSURE: 4751400 70.1713 -36.7813 66.047 -36.7809 13.2948 14.4872 66.0474 14.4864 -256.268 GPRESSURE: 4751400 42.5357 -135.481 84.8208 0.931599 121.58 4.57862 80.4765 51.3262 -247.968 PRESSAVG: 4751400 75.5076 -11.6403 36.9635 -11.6403 -55.5291 50.4935 36.9636 50.4935 8.76451 GPRESSAVG: 4751400 76.4495 -13.6611 37.6992 -11.8819 -55.8669 53.6465 34.7185 46.6774 8.12387 TIMING: 4751400 CPU: 15323, 0.00311034/step Wall: 15323, 0.00311034/step, 0.214787 hours remaining, 238.191406 MB of memory in use. ENERGY: 4751400 3993.2730 20434.2792 14513.0182 251.3092 -203330.7698 2489.4047 0.0000 0.0000 52077.5296 -109571.9560 299.2903 -161649.4856 -109201.0411 299.3763 -57.6008 -27.9508 761950.7258 9.5810 9.5688 PRESSURE: 4751600 132.964 86.802 -18.4621 86.8019 -40.1494 75.4512 -18.463 75.4514 213.432 GPRESSURE: 4751600 152.152 55.6096 -68.0185 37.595 61.4879 85.8315 -27.4916 73.3902 174.804 PRESSAVG: 4751600 32.6225 27.1244 5.86826 27.1244 -17.2321 62.7132 5.86829 62.7132 -13.1465 GPRESSAVG: 4751600 32.3954 26.8477 4.62539 26.2792 -16.546 60.5668 6.57329 64.9056 -13.2141 TIMING: 4751600 CPU: 15323.6, 0.00314851/step Wall: 15323.6, 0.00314851/step, 0.217247 hours remaining, 238.191406 MB of memory in use. ENERGY: 4751600 3939.3434 20474.1649 14458.2742 242.6473 -203724.4433 2662.1334 0.0000 0.0000 51972.0159 -109975.8642 298.6839 -161947.8801 -109595.6622 298.2077 102.0821 129.4812 761519.7222 0.7480 0.8785 PRESSURE: 4751800 30.4649 209.15 -57.5989 209.15 3.88467 61.1122 -57.5982 61.113 159.906 GPRESSURE: 4751800 30.646 197.53 -136.91 192.604 -19.9361 91.122 -35.7297 121.748 262.518 PRESSAVG: 4751800 50.6643 -5.22415 -26.7483 -5.22411 -14.3556 37.3702 -26.7483 37.3702 -4.25674 GPRESSAVG: 4751800 50.4156 -4.88394 -24.9469 -4.90843 -15.1629 37.395 -28.9367 37.0765 -3.11242 TIMING: 4751800 CPU: 15324.2, 0.00312147/step Wall: 15324.2, 0.00312147/step, 0.215208 hours remaining, 238.191406 MB of memory in use. ENERGY: 4751800 4011.8496 20511.2207 14478.4583 244.2814 -203692.6129 2587.8873 0.0000 0.0000 51943.2251 -109915.6906 298.5184 -161858.9156 -109549.0644 298.5096 64.7519 91.0760 759641.9155 10.6840 10.7134 PRESSURE: 4752000 -323.964 -112.169 -2.80795 -112.168 -417.359 -15.8209 -2.80768 -15.8215 -2.91341 GPRESSURE: 4752000 -282.07 -105.488 -0.518527 -118.203 -394.802 33.5863 -25.6558 -130.471 29.6115 PRESSAVG: 4752000 45.863 -28.6009 -14.0494 -28.601 -24.0837 28.1635 -14.0495 28.1635 -3.41281 GPRESSAVG: 4752000 45.6474 -29.0847 -15.6063 -27.2652 -24.2492 27.641 -12.3788 26.9071 -3.40331 TIMING: 4752000 CPU: 15324.8, 0.00311234/step Wall: 15324.8, 0.00311234/step, 0.214406 hours remaining, 238.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4752000 3916.2190 20479.3533 14438.4286 237.6918 -202990.1689 2093.1031 0.0000 0.0000 52174.5369 -109650.8362 299.8478 -161825.3731 -109282.2398 299.2668 -248.0787 -215.7535 762691.5184 6.1222 5.9983 PRESSURE: 4752200 -175.51 63.1793 -65.3594 63.1794 -284.898 -150.319 -65.3599 -150.318 -294.743 GPRESSURE: 4752200 -144.555 -51.6729 -155.915 34.7704 -244.44 -171.769 -90.1142 -29.2325 -255.821 PRESSAVG: 4752200 35.5543 -21.4808 -2.56424 -21.4808 -38.567 -20.0989 -2.56432 -20.099 5.98962 GPRESSAVG: 4752200 36.2567 -19.243 -0.451331 -23.0059 -38.6646 -18.2409 -4.33338 -18.6936 5.53028 TIMING: 4752200 CPU: 15325.5, 0.00313265/step Wall: 15325.5, 0.00313265/step, 0.215631 hours remaining, 238.191406 MB of memory in use. ENERGY: 4752200 4043.8742 20468.2094 14403.1551 224.4099 -202944.2066 2249.0822 0.0000 0.0000 51979.1617 -109576.3143 298.7250 -161555.4759 -109207.7962 298.9440 -251.7170 -214.9388 760292.5859 0.9923 1.0408 LDB: ============= START OF LOAD BALANCING ============== 15337.9 LDB: ============== END OF LOAD BALANCING =============== 15337.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15337.9 LDB: ============= START OF LOAD BALANCING ============== 15338.2 LDB: Largest compute 7037 load 0.033242 is 17.0% of average load 0.195610 LDB: Average compute 0.004359 is 2.2% of average load 0.195610 LDB: TIME 15338.2 LOAD: AVG 0.19561 MAX 0.217835 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 15338.2 LOAD: AVG 0.19561 MAX 0.217835 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 15338.2 LOAD: AVG 0.19561 MAX 0.217835 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 15338.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15338.2 PRESSURE: 4752400 35.3974 73.8918 262.257 73.8932 31.9387 79.7906 262.257 79.7914 -175.312 GPRESSURE: 4752400 64.5605 21.7484 314.83 130.946 92.9899 31.1774 204.892 104.388 -173.955 PRESSAVG: 4752400 64.5592 -4.88307 44.4502 -4.88298 -7.93666 -27.6817 44.4502 -27.6817 -5.04487 GPRESSAVG: 4752400 63.776 -8.07723 43.4427 -2.86608 -7.18561 -28.2381 44.7045 -28.6199 -5.09524 TIMING: 4752400 CPU: 15326.1, 0.0031918/step Wall: 15326.1, 0.0031918/step, 0.219525 hours remaining, 234.941406 MB of memory in use. ENERGY: 4752400 3969.1537 20432.8010 14463.3806 226.7796 -202819.8655 2185.2875 0.0000 0.0000 52122.9491 -109419.5140 299.5513 -161542.4631 -109068.3444 298.8463 -35.9919 -5.4683 759395.6024 17.1926 17.1651 PRESSURE: 4752600 61.2067 -82.2178 83.3361 -82.2169 -415.087 -2.99074 83.3352 -2.99029 -159.82 GPRESSURE: 4752600 127.63 -2.35537 112.084 15.4159 -384.244 -39.8824 -1.86983 -110.155 -142.718 PRESSAVG: 4752600 51.3399 -3.07229 -11.952 -3.07233 -38.223 21.7043 -11.952 21.7043 -22.615 GPRESSAVG: 4752600 51.3533 -2.63058 -11.9525 -2.8669 -40.2503 21.4481 -9.52056 20.7994 -20.9124 TIMING: 4752600 CPU: 15326.7, 0.00313083/step Wall: 15326.7, 0.00313083/step, 0.215157 hours remaining, 234.941406 MB of memory in use. ENERGY: 4752600 4040.1792 20374.7368 14516.5938 236.9457 -202519.6499 2100.9922 0.0000 0.0000 51836.0675 -109414.1347 297.9026 -161250.2022 -109051.1135 299.1956 -171.2334 -133.1106 761381.0642 -3.1660 -3.2698 PRESSURE: 4752800 90.5069 -60.0862 -256.839 -60.0871 63.3799 -61.1377 -256.839 -61.1376 225.415 GPRESSURE: 4752800 68.8771 4.5949 -364.665 -13.5663 95.3699 -18.6255 -262.891 117.568 316.972 PRESSAVG: 4752800 40.7496 -29.1574 -18.649 -29.1574 -49.8332 -19.0787 -18.649 -19.0787 11.5311 GPRESSAVG: 4752800 40.0397 -28.6183 -18.8525 -31.0754 -48.1459 -19.3116 -19.9375 -17.1857 10.5489 TIMING: 4752800 CPU: 15327.4, 0.00315514/step Wall: 15327.4, 0.00315514/step, 0.216653 hours remaining, 234.941406 MB of memory in use. ENERGY: 4752800 3991.8406 20291.4284 14525.8910 272.5526 -203151.4336 2610.4209 0.0000 0.0000 52204.2254 -109255.0746 300.0184 -161459.3000 -108903.2344 299.4289 126.4338 160.4062 760398.4037 0.8159 0.8143 PRESSURE: 4753000 -262.201 -36.1832 64.4116 -36.1831 47.7623 -63.81 64.4119 -63.8106 -200.504 GPRESSURE: 4753000 -205.123 -95.8552 29.9284 -38.3449 66.9659 -46.1648 20.8441 34.9943 -222.713 PRESSAVG: 4753000 117.919 12.0712 38.7235 12.0712 -126.453 14.686 38.7236 14.6861 -16.3964 GPRESSAVG: 4753000 118.34 9.97008 38.3859 12.9672 -126.129 14.673 41.1058 14.7796 -17.2408 TIMING: 4753000 CPU: 15328, 0.00311819/step Wall: 15328, 0.00311819/step, 0.213942 hours remaining, 234.941406 MB of memory in use. ENERGY: 4753000 4086.3311 20635.7805 14418.9028 265.2682 -203376.4375 2585.2738 0.0000 0.0000 51958.8202 -109426.0609 298.6081 -161384.8810 -109066.1009 299.4740 -138.3142 -120.2900 760860.8883 -8.3101 -8.3434 PRESSURE: 4753200 -30.8631 -49.9392 -50.6972 -49.9399 195.647 -83.1095 -50.6977 -83.11 61.5993 GPRESSURE: 4753200 49.4339 91.7949 9.15433 52.0157 185.963 -88.4509 -21.0201 54.1675 80.4234 PRESSAVG: 4753200 43.6598 21.4393 33.2943 21.4393 -34.9581 -31.4137 33.2943 -31.4138 -7.59731 GPRESSAVG: 4753200 44.6898 21.7635 34.912 23.7475 -34.9576 -30.8608 29.8105 -31.9034 -8.18321 TIMING: 4753200 CPU: 15328.6, 0.00313794/step Wall: 15328.6, 0.00313794/step, 0.215124 hours remaining, 234.941406 MB of memory in use. ENERGY: 4753200 4019.1514 20526.2304 14402.5496 227.5558 -203033.7785 2391.3803 0.0000 0.0000 51972.1160 -109494.7951 298.6845 -161466.9110 -109141.9561 299.4831 75.4610 105.2734 761271.1997 0.3681 0.5163 PRESSURE: 4753400 -213.211 143.719 58.3436 143.719 233.66 244.372 58.3432 244.373 -29.9357 GPRESSURE: 4753400 -99.2538 131.188 58.0584 64.1868 184.539 197.425 24.7099 198.849 -26.97 PRESSAVG: 4753400 20.7991 16.3172 29.3461 16.3171 -47.1631 -2.45776 29.3461 -2.45774 10.762 GPRESSAVG: 4753400 20.9863 18.0636 27.0382 13.5081 -48.2714 -3.32388 32.3508 -3.95017 11.4047 TIMING: 4753400 CPU: 15329.2, 0.00313996/step Wall: 15329.2, 0.00313996/step, 0.215087 hours remaining, 234.941406 MB of memory in use. ENERGY: 4753400 3953.7795 20319.9789 14455.3596 252.2694 -202873.0082 2339.3818 0.0000 0.0000 51987.3888 -109564.8502 298.7722 -161552.2390 -109204.8388 298.8701 -3.1624 19.4385 762498.9690 -5.2007 -5.2935 PRESSURE: 4753600 -152.36 -147.183 -83.226 -147.183 -270.454 -177.838 -83.2252 -177.838 -559.968 GPRESSURE: 4753600 -122.682 -150.539 -119.412 -124.723 -240.149 -137.227 -32.2998 -173.501 -509.271 PRESSAVG: 4753600 19.5982 -20.1357 -21.4445 -20.1357 11.4929 -16.3233 -21.4445 -16.3232 -12.0865 GPRESSAVG: 4753600 19.4845 -20.0951 -19.8504 -20.2809 10.6437 -14.0702 -22.5207 -18.686 -10.8995 TIMING: 4753600 CPU: 15329.9, 0.00315753/step Wall: 15329.9, 0.00315753/step, 0.216115 hours remaining, 234.941406 MB of memory in use. ENERGY: 4753600 3925.2568 20425.5571 14490.1116 256.1869 -203064.1566 2272.2853 0.0000 0.0000 51999.9775 -109694.7815 298.8446 -161694.7590 -109321.9908 298.6338 -327.5941 -290.7005 761698.9663 6.3349 6.4096 PRESSURE: 4753800 -345.615 28.1579 -97.0777 28.1588 -233.099 178.421 -97.0762 178.42 -233.641 GPRESSURE: 4753800 -295.985 18.4035 -75.1173 18.4349 -192.023 91.8591 -88.9922 210.978 -235.75 PRESSAVG: 4753800 9.25107 -23.7548 58.5534 -23.7549 -7.12861 17.917 58.5533 17.917 0.0352636 GPRESSAVG: 4753800 8.13402 -24.9776 57.8896 -22.7269 -5.97681 16.9606 57.2957 20.9832 0.498304 TIMING: 4753800 CPU: 15330.5, 0.00316849/step Wall: 15330.5, 0.00316849/step, 0.216689 hours remaining, 234.941406 MB of memory in use. ENERGY: 4753800 3954.5176 20439.6244 14449.5666 250.0777 -203165.5865 2130.8958 0.0000 0.0000 52117.4290 -109823.4753 299.5196 -161940.9043 -109465.4869 298.9374 -270.7852 -241.2528 760644.6671 0.7192 0.8852 PRESSURE: 4754000 -124.053 -3.25062 -196.992 -3.25097 -193.529 -87.9372 -196.991 -87.9369 226.817 GPRESSURE: 4754000 -123.399 -36.5849 -205.478 87.3301 -109.528 -82.948 -139.513 -135.742 227.184 PRESSAVG: 4754000 -57.7183 -22.5928 -48.4734 -22.5928 9.14203 -44.6424 -48.4734 -44.6425 0.847071 GPRESSAVG: 4754000 -56.0791 -20.8494 -48.3422 -24.5373 9.61645 -45.652 -46.6913 -44.5617 -1.16958 TIMING: 4754000 CPU: 15331.1, 0.0031255/step Wall: 15331.1, 0.0031255/step, 0.213576 hours remaining, 234.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4754000 3961.7456 20440.8239 14481.5660 246.4036 -203046.8098 2309.9280 0.0000 0.0000 51705.9784 -109900.3642 297.1550 -161606.3426 -109542.2793 298.3638 -30.2549 -1.9142 760774.7646 -15.9097 -15.8774 PRESSURE: 4754200 -64.0013 14.747 128.869 14.747 -161.356 19.9328 128.867 19.933 -33.824 GPRESSURE: 4754200 -118.755 97.6211 118.871 -13.138 -116.501 13.654 249.795 -5.42416 69.0533 PRESSAVG: 4754200 5.21199 4.85104 -21.7286 4.85098 33.0598 -37.4738 -21.7287 -37.4739 2.1779 GPRESSAVG: 4754200 4.1972 2.39268 -22.0711 6.32771 31.6136 -35.8651 -22.9275 -37.5708 4.59111 TIMING: 4754200 CPU: 15331.8, 0.0031301/step Wall: 15331.8, 0.0031301/step, 0.213716 hours remaining, 234.941406 MB of memory in use. ENERGY: 4754200 3928.6518 20440.1337 14467.9063 258.5527 -203564.5718 2579.9982 0.0000 0.0000 51682.4134 -110206.9158 297.0195 -161889.3292 -109852.0213 297.7191 -86.3937 -55.4011 759280.5700 13.4832 13.4673 PRESSURE: 4754400 127.305 164.937 22.7784 164.936 -94.4287 -97.3416 22.7775 -97.3418 438.788 GPRESSURE: 4754400 181.748 175.677 32.6775 205.686 -71.3682 -26.2594 196.65 -83.7419 457.28 PRESSAVG: 4754400 36.5206 -31.8924 -23.9682 -31.8924 -46.5924 -5.82585 -23.9682 -5.82583 5.85487 GPRESSAVG: 4754400 38.0413 -28.9111 -24.2841 -32.7746 -46.9892 -6.55914 -23.6498 -5.16084 4.9513 TIMING: 4754400 CPU: 15332.4, 0.00314932/step Wall: 15332.4, 0.00314932/step, 0.214853 hours remaining, 234.941406 MB of memory in use. ENERGY: 4754400 3970.2109 20312.4091 14414.9830 255.6963 -203639.4792 2735.5238 0.0000 0.0000 51750.2214 -110200.4346 297.4092 -161950.6561 -109842.6168 297.2576 157.2214 189.2197 758609.2263 -1.4056 -1.3322 PRESSURE: 4754600 59.0577 129.772 -175.312 129.772 300.383 -194.732 -175.312 -194.732 98.3798 GPRESSURE: 4754600 120.448 90.3982 -56.2088 19.8891 315.824 -182.237 -102.819 -266.491 100.006 PRESSAVG: 4754600 25.5544 -7.01455 11.9336 -7.01451 3.46713 -9.94042 11.9337 -9.94042 1.02758 GPRESSAVG: 4754600 24.2975 -10.0496 13.1304 -7.15047 4.75875 -8.63081 13.2967 -11.9049 0.724894 TIMING: 4754600 CPU: 15333, 0.00314155/step Wall: 15333, 0.00314155/step, 0.214149 hours remaining, 234.941406 MB of memory in use. ENERGY: 4754600 3925.2436 20337.1010 14483.2699 247.4382 -203602.7501 2444.2331 0.0000 0.0000 52021.4186 -110144.0456 298.9678 -162165.4643 -109786.2967 297.7960 152.6068 178.7593 759521.2493 10.0164 9.9271 PRESSURE: 4754800 -155.146 -49.8839 237.98 -49.8837 -228.495 86.1416 237.98 86.1414 53.1588 GPRESSURE: 4754800 -110.772 37.6507 197.173 -171.714 -146.516 142.174 190.022 -21.898 25.8803 PRESSAVG: 4754800 30.638 -14.0059 22.3747 -14.006 -8.10315 -13.859 22.3747 -13.8591 0.280517 GPRESSAVG: 4754800 29.9817 -14.2206 22.278 -13.7529 -8.11106 -16.4176 18.7951 -12.453 1.82577 TIMING: 4754800 CPU: 15333.6, 0.00312523/step Wall: 15333.6, 0.00312523/step, 0.212863 hours remaining, 234.941406 MB of memory in use. ENERGY: 4754800 3963.2963 20461.2979 14456.3343 259.4341 -203820.1746 2664.4993 0.0000 0.0000 51993.6824 -110021.6303 298.8084 -162015.3127 -109662.6084 297.8361 -110.1606 -77.1357 758480.9158 7.6051 7.8988 PRESSURE: 4755000 -4.11402 30.0307 -16.5545 30.0309 -168.4 -40.8079 -16.5548 -40.8076 -208.379 GPRESSURE: 4755000 6.68224 -102.107 9.22274 80.0043 -175.247 -2.66543 -28.7556 -121.407 -128.549 PRESSAVG: 4755000 48.2175 -5.27059 20.001 -5.27055 -36.9928 5.50276 20.0011 5.50276 5.70134 GPRESSAVG: 4755000 48.794 -4.943 19.7405 -4.83878 -37.3045 6.18252 23.8188 5.31378 5.25896 TIMING: 4755000 CPU: 15334.3, 0.00312777/step Wall: 15334.3, 0.00312777/step, 0.212862 hours remaining, 234.941406 MB of memory in use. ENERGY: 4755000 4104.0082 20562.8503 14425.7256 245.6345 -203447.0763 2299.1310 0.0000 0.0000 51823.0472 -109986.6794 297.8278 -161809.7267 -109637.8512 298.4690 -126.9642 -99.0380 760065.5216 5.6420 5.5828 PRESSURE: 4755200 -132.307 17.0421 252.353 17.0418 121.731 43.81 252.353 43.8093 211.477 GPRESSURE: 4755200 -114.772 102.482 214.53 -51.5767 187.892 136.046 182.011 -0.897464 225.971 PRESSAVG: 4755200 -15.1647 -39.8368 33.9096 -39.8368 -28.6199 -0.956398 33.9096 -0.956374 16.2391 GPRESSAVG: 4755200 -16.229 -39.1481 33.9542 -40.8528 -27.961 0.551245 31.7806 -0.0905767 16.549 TIMING: 4755200 CPU: 15334.9, 0.00313826/step Wall: 15334.9, 0.00313826/step, 0.213402 hours remaining, 234.941406 MB of memory in use. ENERGY: 4755200 4018.5411 20254.0948 14445.5046 238.5418 -203565.6461 2529.3624 0.0000 0.0000 51898.8335 -110180.7679 298.2633 -162079.6014 -109818.3627 297.7468 66.9666 99.6968 760351.5762 -9.1818 -9.2137 PRESSURE: 4755400 60.2872 98.6308 -45.0186 98.6308 -365.642 66.7017 -45.0195 66.7021 -321.75 GPRESSURE: 4755400 24.9116 121.296 -104.593 216.463 -277.436 -18.4444 144.728 79.9005 -277.924 PRESSAVG: 4755400 40.3862 -6.91571 28.759 -6.91569 -49.154 1.54254 28.7591 1.54256 12.6646 GPRESSAVG: 4755400 40.6991 -6.46234 29.1348 -5.76893 -49.2121 1.36771 27.8807 -0.559185 12.7398 TIMING: 4755400 CPU: 15335.5, 0.00314591/step Wall: 15335.5, 0.00314591/step, 0.213747 hours remaining, 234.941406 MB of memory in use. ENERGY: 4755400 4001.8674 20314.4245 14431.9980 252.7383 -203279.7139 2424.6111 0.0000 0.0000 51807.4105 -110046.6641 297.7379 -161854.0746 -109685.0199 298.0002 -209.0349 -176.8162 761050.5950 1.2989 1.4089 PRESSURE: 4755600 35.4031 33.9684 -132.24 33.9681 165.202 224.596 -132.24 224.597 -321.151 GPRESSURE: 4755600 46.9636 16.8614 -99.1275 10.7642 101.72 212.404 -125.93 103.543 -179.173 PRESSAVG: 4755600 22.3532 -3.81669 53.1078 -3.81671 -32.6043 31.8896 53.1078 31.8896 -3.27959 GPRESSAVG: 4755600 24.0872 -3.96766 52.3167 -4.31912 -33.8089 30.6356 55.2318 32.9286 -3.79084 TIMING: 4755600 CPU: 15336.2, 0.0031485/step Wall: 15336.2, 0.0031485/step, 0.213748 hours remaining, 234.941406 MB of memory in use. ENERGY: 4755600 3990.6259 20325.9700 14489.2274 235.5367 -203308.3918 2313.3093 0.0000 0.0000 51797.7950 -110155.9275 297.6826 -161953.7225 -109801.4373 297.6753 -40.1820 -10.1630 760358.0114 -4.5102 -4.5042 PRESSURE: 4755800 104.035 -214.923 -16.0944 -214.922 32.8105 -154.166 -16.0955 -154.166 38.345 GPRESSURE: 4755800 199.131 -138.252 14.4357 -147.572 51.7081 -210.349 123.763 -10.2247 28.1887 PRESSAVG: 4755800 64.9293 -15.4356 21.031 -15.4355 -72.0511 8.41961 21.031 8.41962 -29.8536 GPRESSAVG: 4755800 63.3709 -15.319 19.9942 -14.4997 -71.3648 10.2218 21.1559 7.16441 -28.9916 TIMING: 4755800 CPU: 15336.8, 0.00314578/step Wall: 15336.8, 0.00314578/step, 0.213389 hours remaining, 234.941406 MB of memory in use. ENERGY: 4755800 3944.4846 20183.2099 14507.8450 237.8708 -203336.1963 2602.8710 0.0000 0.0000 51871.8182 -109988.0967 298.1081 -161859.9149 -109628.5865 298.2520 58.3967 93.0093 759305.2400 -12.3251 -12.3285 PRESSURE: 4756000 -232.836 -257.753 14.6285 -257.753 -57.9482 54.2908 14.6285 54.29 -506.759 GPRESSURE: 4756000 -120.779 -221.719 -5.73959 -184.682 -67.5352 -8.92733 1.52673 200.559 -527.976 PRESSAVG: 4756000 17.1648 -28.9729 -9.08257 -28.973 -3.94701 -14.738 -9.08262 -14.7379 5.50944 GPRESSAVG: 4756000 16.9493 -28.5933 -9.22325 -29.436 -3.48025 -15.4238 -9.55454 -13.9276 5.0487 TIMING: 4756000 CPU: 15337.4, 0.00312792/step Wall: 15337.4, 0.00312792/step, 0.212003 hours remaining, 234.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4756000 4025.5657 20412.8132 14467.4587 254.3938 -203013.7912 2004.1594 0.0000 0.0000 51987.4443 -109861.9560 298.7726 -161849.4003 -109502.9029 298.3383 -265.8480 -238.7635 761003.8394 6.2424 6.1726 PRESSURE: 4756200 167.03 -209.39 19.4241 -209.391 -83.7366 -140.758 19.4236 -140.758 -7.93625 GPRESSURE: 4756200 215.815 -187.321 -6.22851 -247.847 -146.217 -146.11 32.8533 -94.8644 91.9933 PRESSAVG: 4756200 -10.0943 -28.4727 8.8152 -28.4727 -10.7834 -9.49748 8.81515 -9.49733 -1.80874 GPRESSAVG: 4756200 -9.25438 -29.44 9.25952 -31.1869 -10.9602 -8.90845 8.55334 -9.69346 -2.81158 TIMING: 4756200 CPU: 15338, 0.00314593/step Wall: 15338, 0.00314593/step, 0.21305 hours remaining, 234.941406 MB of memory in use. ENERGY: 4756200 3876.6273 20449.5737 14458.5291 246.7949 -203190.4326 2508.5789 0.0000 0.0000 51994.7633 -109655.5654 298.8146 -161650.3287 -109291.3982 298.7819 25.1191 53.8638 760302.3581 -7.5622 -7.6754 LDB: ============= START OF LOAD BALANCING ============== 15350.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15350.5 LDB: =============== DONE WITH MIGRATION ================ 15350.5 LDB: ============= START OF LOAD BALANCING ============== 15350.8 LDB: Largest compute 7037 load 0.033180 is 17.0% of average load 0.195595 LDB: Average compute 0.004362 is 2.2% of average load 0.195595 LDB: TIME 15350.8 LOAD: AVG 0.195595 MAX 0.216025 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.023 MB LDB: TIME 15350.8 LOAD: AVG 0.195595 MAX 0.216025 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.094 MB LDB: TIME 15350.8 LOAD: AVG 0.195595 MAX 0.216025 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.094 MB LDB: ============== END OF LOAD BALANCING =============== 15350.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15350.8 PRESSURE: 4756400 -399.516 13.6699 94.549 13.6702 389.296 -223.395 94.5488 -223.395 -22.4922 GPRESSURE: 4756400 -344.157 -37.3922 42.7879 23.1298 382.824 -284.647 228.185 -140.661 14.1073 PRESSAVG: 4756400 31.5848 -52.8877 37.5994 -52.8877 4.25575 -19.5541 37.5995 -19.5542 10.1044 GPRESSAVG: 4756400 30.3621 -51.1947 37.2222 -53.7017 3.5413 -20.3564 38.6213 -17.2995 11.5659 TIMING: 4756400 CPU: 15338.7, 0.00319589/step Wall: 15338.7, 0.00319589/step, 0.216255 hours remaining, 235.562500 MB of memory in use. ENERGY: 4756400 3975.6350 20533.1892 14394.2429 249.6317 -203178.2867 2266.5822 0.0000 0.0000 52137.8528 -109621.1530 299.6370 -161759.0057 -109270.3310 298.5334 -10.9038 17.5912 758932.8031 15.3150 15.1564 PRESSURE: 4756600 -217.414 102.49 131.644 102.492 -89.0979 118.66 131.644 118.661 141.8 GPRESSURE: 4756600 -183.162 69.0154 141.474 124.766 -38.2076 53.2596 148.096 161.392 145.883 PRESSAVG: 4756600 16.3565 -22.0114 33.8289 -22.0114 1.0913 -52.6263 33.8289 -52.6263 -13.1623 GPRESSAVG: 4756600 17.8205 -24.2965 34.5327 -19.4734 1.44934 -51.9228 32.7896 -57.0774 -15.0541 TIMING: 4756600 CPU: 15339.3, 0.003127/step Wall: 15339.3, 0.003127/step, 0.21142 hours remaining, 235.960938 MB of memory in use. ENERGY: 4756600 4052.4715 20248.2579 14364.6878 252.5666 -203078.4298 2507.6526 0.0000 0.0000 52050.5976 -109602.1958 299.1355 -161652.7934 -109236.2532 298.8535 -54.9039 -25.1621 761099.6027 1.4285 1.4052 PRESSURE: 4756800 122.239 -157.626 -220.317 -157.627 -217.478 -231.459 -220.317 -231.457 -208.502 GPRESSURE: 4756800 287.599 -125.742 -136.497 -109.558 -276.691 -257.367 -197.452 -106.475 -213.68 PRESSAVG: 4756800 42.7333 -54.5944 39.9941 -54.5943 -50.5352 -25.2937 39.994 -25.2937 15.0854 GPRESSAVG: 4756800 43.126 -53.0866 39.1734 -55.4908 -51.9247 -25.4737 41.5747 -21.261 16.5087 TIMING: 4756800 CPU: 15339.9, 0.00315949/step Wall: 15339.9, 0.00315949/step, 0.213441 hours remaining, 235.960938 MB of memory in use. ENERGY: 4756800 4011.3723 20507.2088 14407.1649 238.0705 -202809.8346 2217.0649 0.0000 0.0000 51754.7345 -109674.2186 297.4352 -161428.9531 -109315.6026 298.7460 -101.2468 -67.5907 760393.3501 2.4278 2.5700 PRESSURE: 4757000 196.742 102.005 240.121 102.005 -15.2897 -89.3318 240.122 -89.3326 123.299 GPRESSURE: 4757000 250.17 81.2226 163.336 142.219 -23.6313 -101.252 206.13 -86.1901 178.89 PRESSAVG: 4757000 50.5333 -63.5962 2.62079 -63.5962 -37.5812 -65.7235 2.62078 -65.7235 -18.0952 GPRESSAVG: 4757000 49.8524 -63.4044 4.48409 -65.2467 -36.1248 -66.5673 0.765252 -66.3179 -18.2046 TIMING: 4757000 CPU: 15340.6, 0.00315162/step Wall: 15340.6, 0.00315162/step, 0.212735 hours remaining, 235.960938 MB of memory in use. ENERGY: 4757000 4020.4588 20509.3322 14438.2420 250.9512 -203133.8744 2322.9258 0.0000 0.0000 51690.2290 -109901.7353 297.0645 -161591.9643 -109539.0835 298.9645 101.5840 135.1429 759304.3276 -1.7144 -1.4923 PRESSURE: 4757200 -98.6516 -24.1962 -81.7326 -24.196 251.046 201.739 -81.7325 201.74 135.084 GPRESSURE: 4757200 -91.3253 -12.4268 -79.3787 58.4447 287.766 120.994 -64.2444 256.766 175.65 PRESSAVG: 4757200 14.9887 -32.9976 8.62583 -32.9976 -21.4741 -71.009 8.62586 -71.009 -8.20288 GPRESSAVG: 4757200 14.9223 -33.8829 7.19462 -32.3702 -21.8577 -70.4431 9.12907 -72.1023 -7.77009 TIMING: 4757200 CPU: 15341.2, 0.00312967/step Wall: 15341.2, 0.00312967/step, 0.211079 hours remaining, 235.960938 MB of memory in use. ENERGY: 4757200 3940.2793 20359.5184 14374.9644 248.2904 -203212.6700 2311.9904 0.0000 0.0000 51927.5182 -110050.1089 298.4282 -161977.6270 -109685.3336 298.2485 95.8262 124.0302 759597.8123 -4.8961 -4.9018 PRESSURE: 4757400 113.874 -185.277 -28.6336 -185.277 -136.305 -79.613 -28.6337 -79.6123 -60.0451 GPRESSURE: 4757400 124.023 -149.037 -35.5052 -100.594 -146.599 -78.4089 39.3412 -10.13 18.5487 PRESSAVG: 4757400 -0.400282 -55.7479 -13.8147 -55.7479 32.203 -18.3982 -13.8146 -18.3981 17.1445 GPRESSAVG: 4757400 0.10726 -55.129 -13.941 -55.2997 31.459 -16.9426 -13.378 -17.7849 17.9325 TIMING: 4757400 CPU: 15341.8, 0.00311828/step Wall: 15341.8, 0.00311828/step, 0.210137 hours remaining, 235.960938 MB of memory in use. ENERGY: 4757400 3981.9320 20365.6085 14450.2996 254.3121 -203220.9806 2314.7313 0.0000 0.0000 51761.9165 -110092.1806 297.4764 -161854.0971 -109726.4099 298.3231 -27.4922 -1.3424 759902.0795 16.3157 16.4996 PRESSURE: 4757600 -147.454 -22.4883 -3.66529 -22.4886 -105.719 -69.4397 -3.66527 -69.4397 -194.748 GPRESSURE: 4757600 -99.1648 3.03363 -16.1054 74.6357 -94.217 -130.861 -49.8554 -25.63 -171.962 PRESSAVG: 4757600 -4.58495 -49.018 22.0733 -49.018 31.2016 20.0752 22.0733 20.0752 -25.5216 GPRESSAVG: 4757600 -4.34918 -48.1091 22.4678 -49.3393 31.9301 18.8853 22.6187 21.7104 -26.436 TIMING: 4757600 CPU: 15342.4, 0.00315247/step Wall: 15342.4, 0.00315247/step, 0.212267 hours remaining, 235.960938 MB of memory in use. ENERGY: 4757600 4003.7297 20396.6088 14442.1760 224.5851 -203234.4696 2456.5562 0.0000 0.0000 51937.1983 -109773.6155 298.4838 -161710.8138 -109409.2921 298.3463 -149.3070 -121.7814 760485.5581 0.3650 0.3816 PRESSURE: 4757800 -221.276 -29.4316 -62.7915 -29.431 -176.918 2.56563 -62.7909 2.56662 296.611 GPRESSURE: 4757800 -200.651 72.53 -54.1975 -22.3846 -119.273 -5.07782 50.7222 89.6898 320.713 PRESSAVG: 4757800 -18.5084 4.27691 26.012 4.27692 31.6205 -32.3318 26.0119 -32.3319 9.97694 GPRESSAVG: 4757800 -18.7241 3.81226 26.9108 4.72393 32.4969 -31.9967 25.3399 -33.8954 9.64694 TIMING: 4757800 CPU: 15343.1, 0.00313026/step Wall: 15343.1, 0.00313026/step, 0.210597 hours remaining, 235.960938 MB of memory in use. ENERGY: 4757800 4012.4944 20514.9956 14377.7545 256.8441 -203298.1447 2428.9496 0.0000 0.0000 51882.0456 -109825.0608 298.1668 -161707.1065 -109465.9640 298.7084 -33.8612 0.2632 759602.1823 7.6964 7.8066 PRESSURE: 4758000 89.7963 -34.8852 100.575 -34.8858 125.326 79.0891 100.576 79.0891 134.435 GPRESSURE: 4758000 132.395 -68.8588 -0.755218 -133.002 79.5363 117.999 184.944 173.36 233.5 PRESSAVG: 4758000 5.83376 -25.8711 37.9668 -25.871 21.6453 -26.7162 37.9668 -26.7162 10.715 GPRESSAVG: 4758000 5.3728 -26.8096 36.1209 -25.8829 21.6324 -27.6264 38.9596 -25.8625 11.5071 TIMING: 4758000 CPU: 15343.7, 0.00314241/step Wall: 15343.7, 0.00314241/step, 0.21124 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 3980.5956 20376.1885 14412.8733 245.3989 -202931.6182 2144.5358 0.0000 0.0000 51989.7515 -109782.2746 298.7858 -161772.0261 -109427.3980 298.6209 116.5191 148.4772 759981.9106 12.7314 12.8375 PRESSURE: 4758200 150.002 -89.5985 -290.192 -89.5985 -10.6789 -23.2652 -290.193 -23.2657 170.001 GPRESSURE: 4758200 221.951 -4.46269 -226.033 -173.823 31.075 -74.4758 -216.698 -49.5922 146.287 PRESSAVG: 4758200 10.5509 -9.28333 -56.2694 -9.28335 -18.5838 24.1128 -56.2695 24.1128 9.75097 GPRESSAVG: 4758200 11.0214 -8.41974 -55.3243 -10.1547 -18.05 25.7846 -56.8202 23.3598 8.99959 TIMING: 4758200 CPU: 15344.3, 0.0031221/step Wall: 15344.3, 0.0031221/step, 0.209701 hours remaining, 235.960938 MB of memory in use. ENERGY: 4758200 3928.8281 20479.7117 14439.7253 261.4629 -203187.8882 2588.8815 0.0000 0.0000 51961.2434 -109528.0353 298.6220 -161489.2787 -109175.3691 298.6604 103.1082 133.1042 762206.5576 0.5727 0.6570 PRESSURE: 4758400 -143.351 -111.685 -263.827 -111.685 -352.631 213.903 -263.827 213.903 -89.3604 GPRESSURE: 4758400 -116.237 -54.8627 -245.887 -104.785 -327.775 226.363 -255.081 122.901 -29.1721 PRESSAVG: 4758400 61.7764 -35.6795 -16.8663 -35.6795 -52.751 19.7701 -16.8664 19.7701 12.748 GPRESSAVG: 4758400 62.1312 -35.1289 -15.1605 -34.4877 -53.3615 18.5473 -15.1368 21.1106 13.0608 TIMING: 4758400 CPU: 15345, 0.00313485/step Wall: 15345, 0.00313485/step, 0.210384 hours remaining, 235.960938 MB of memory in use. ENERGY: 4758400 3983.6774 20384.8043 14465.3416 243.5941 -202984.2613 2381.6802 0.0000 0.0000 52011.5688 -109513.5949 298.9112 -161525.1637 -109151.3269 299.0593 -195.1140 -157.7282 760859.3247 7.2578 7.2768 PRESSURE: 4758600 -327.54 80.4263 18.9652 80.4269 -1.74176 52.9359 18.9646 52.936 -195.081 GPRESSURE: 4758600 -250.06 -7.5549 19.2611 89.4851 -21.8294 65.9772 43.8719 89.5683 -160.582 PRESSAVG: 4758600 48.7974 -56.8994 76.9615 -56.8994 -50.2917 61.3374 76.9614 61.3374 -2.02601 GPRESSAVG: 4758600 48.3748 -59.5903 76.3483 -55.889 -50.2212 60.9867 75.1229 60.9801 -1.24352 TIMING: 4758600 CPU: 15345.6, 0.00313204/step Wall: 15345.6, 0.00313204/step, 0.210021 hours remaining, 235.960938 MB of memory in use. ENERGY: 4758600 4001.7087 20491.6342 14436.1585 253.2767 -202934.5311 2163.9996 0.0000 0.0000 52150.2772 -109437.4762 299.7084 -161587.7534 -109074.6249 299.0420 -174.7879 -144.1572 760528.4806 -1.1734 -1.0300 PRESSURE: 4758800 250.168 81.4365 -9.89941 81.4363 -111.159 -108.973 -9.89996 -108.974 96.0076 GPRESSURE: 4758800 363.637 132.692 -10.7881 -52.7125 -86.7832 3.09961 19.3884 -60.1894 57.2713 PRESSAVG: 4758800 34.2298 -27.0526 -25.2989 -27.0526 -16.0794 22.526 -25.2989 22.526 -14.6317 GPRESSAVG: 4758800 33.7807 -24.1223 -25.8758 -28.8143 -15.9736 22.8277 -26.0138 22.7125 -14.8722 TIMING: 4758800 CPU: 15346.2, 0.00312796/step Wall: 15346.2, 0.00312796/step, 0.209573 hours remaining, 235.972656 MB of memory in use. ENERGY: 4758800 3962.2030 20475.5039 14504.5465 238.6685 -203007.6255 2433.9527 0.0000 0.0000 52088.0580 -109304.6929 299.3508 -161392.7509 -108944.6068 299.1738 78.3387 111.3752 762495.9478 1.1729 0.9783 PRESSURE: 4759000 5.05447 -235.358 39.9082 -235.358 333.151 -9.89815 39.9079 -9.89756 -184.718 GPRESSURE: 4759000 113.696 -131.734 13.7699 -173.12 259 -42.6603 18.7634 -16.2685 -129.854 PRESSAVG: 4759000 -2.45492 -55.1925 -24.6728 -55.1925 25.0668 8.60981 -24.6728 8.60988 0.109458 GPRESSAVG: 4759000 -2.43448 -57.4301 -25.331 -52.044 24.3727 10.0636 -26.2056 5.74801 0.82214 TIMING: 4759000 CPU: 15346.8, 0.00312458/step Wall: 15346.8, 0.00312458/step, 0.209174 hours remaining, 235.972656 MB of memory in use. ENERGY: 4759000 3984.3008 20490.2485 14400.2483 244.0635 -203050.8840 2411.7479 0.0000 0.0000 52334.7985 -109185.4765 300.7688 -161520.2750 -108811.6409 299.6590 51.1625 80.9475 762232.4966 7.5738 7.5868 PRESSURE: 4759200 -32.8636 -154.103 -85.2881 -154.104 -139.456 -85.9926 -85.2883 -85.9919 33.2938 GPRESSURE: 4759200 79.1033 -133.12 -36.597 -1.68106 -151.747 -100.24 -111.119 -31.6172 8.40419 PRESSAVG: 4759200 -44.5316 14.7626 18.9288 14.7626 21.5158 -13.4031 18.9288 -13.4031 -12.7787 GPRESSAVG: 4759200 -43.9466 16.3266 20.837 13.1455 21.1952 -14.4624 19.8943 -10.3183 -13.3578 TIMING: 4759200 CPU: 15347.5, 0.00311352/step Wall: 15347.5, 0.00311352/step, 0.20826 hours remaining, 235.972656 MB of memory in use. ENERGY: 4759200 3982.5613 20556.8381 14603.5448 260.4705 -203147.3202 2348.0808 0.0000 0.0000 51972.2476 -109423.5771 298.6852 -161395.8247 -109073.0708 299.3478 -46.3421 -21.4133 761174.6149 -11.9315 -12.0364 PRESSURE: 4759400 -126.261 173.558 21.4064 173.558 -311.271 69.6681 21.4061 69.6679 -294.822 GPRESSURE: 4759400 -159.267 82.2918 -9.93636 95.8767 -261.156 137.425 57.316 63.7361 -243.798 PRESSAVG: 4759400 -39.2626 -60.9391 68.2368 -60.9391 9.06786 -36.5201 68.2369 -36.5201 -3.54523 GPRESSAVG: 4759400 -38.9595 -62.6057 66.0985 -60.4129 9.16794 -36.1247 69.2312 -36.7209 -4.10999 TIMING: 4759400 CPU: 15348.1, 0.00314681/step Wall: 15348.1, 0.00314681/step, 0.210312 hours remaining, 235.972656 MB of memory in use. ENERGY: 4759400 3992.8841 20432.6478 14504.8869 262.2120 -203249.0027 2339.9334 0.0000 0.0000 52271.1870 -109445.2514 300.4032 -161716.4384 -109083.2007 299.3768 -244.1181 -221.4069 762954.1916 -11.2467 -11.3005 PRESSURE: 4759600 -28.0763 -70.2084 1.92566 -70.2083 200.942 -82.4769 1.92516 -82.4768 246.409 GPRESSURE: 4759600 20.1446 45.8643 67.9717 -109.422 255.51 -146.604 -22.2019 -119.529 225.615 PRESSAVG: 4759600 -62.5831 -5.24379 55.1838 -5.24383 45.5777 -15.1882 55.1838 -15.1882 -2.07236 GPRESSAVG: 4759600 -62.8661 -5.05736 56.1783 -5.3164 45.2467 -15.9435 56.1181 -13.6893 -1.08063 TIMING: 4759600 CPU: 15348.7, 0.00311558/step Wall: 15348.7, 0.00311558/step, 0.208051 hours remaining, 235.972656 MB of memory in use. ENERGY: 4759600 3929.9109 20395.3237 14545.7351 247.7212 -203613.0553 2824.4199 0.0000 0.0000 52154.9340 -109515.0105 299.7351 -161669.9445 -109159.4226 299.3332 139.7582 167.0898 761794.7874 -6.3593 -6.2333 PRESSURE: 4759800 5.48384 93.7582 -152.232 93.7575 11.3983 120 -152.232 120 663.713 GPRESSURE: 4759800 19.9641 19.6041 -124.686 -26.3477 64.9781 158.433 -185.573 125.736 672.905 PRESSAVG: 4759800 -13.524 20.8519 -29.8425 20.8519 -29.3987 5.10678 -29.8426 5.10675 -15.3309 GPRESSAVG: 4759800 -14.6674 21.1993 -30.359 20.1526 -29.1366 5.89401 -31.8032 3.44079 -14.7869 TIMING: 4759800 CPU: 15349.3, 0.00310727/step Wall: 15349.3, 0.00310727/step, 0.207324 hours remaining, 235.972656 MB of memory in use. ENERGY: 4759800 3992.4293 20446.2530 14496.5167 269.3981 -203616.8537 2823.9770 0.0000 0.0000 51935.3245 -109652.9551 298.4730 -161588.2796 -109284.3021 298.9429 226.8651 252.6156 760178.0073 -19.4179 -19.5303 PRESSURE: 4760000 180.081 54.0837 -30.1452 54.0838 -327.804 137.853 -30.1452 137.852 -161.875 GPRESSURE: 4760000 236.767 111.547 -81.0728 -141.756 -284.89 40.2111 -88.3268 252.231 -174.955 PRESSAVG: 4760000 4.4457 -17.9524 -8.24874 -17.9525 -15.5381 16.425 -8.24862 16.425 5.65506 GPRESSAVG: 4760000 4.6619 -16.8335 -7.68054 -19.1391 -15.6513 15.4354 -6.78736 18.5385 5.35423 TIMING: 4760000 CPU: 15349.9, 0.00310232/step Wall: 15349.9, 0.00310232/step, 0.206821 hours remaining, 235.972656 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: 4760000 4071.4161 20597.1041 14452.2962 272.7472 -203604.9785 2602.0791 0.0000 0.0000 51909.1303 -109700.2055 298.3225 -161609.3359 -109341.5029 298.5271 -103.1990 -74.3591 760375.4768 -1.8124 -1.8784 PRESSURE: 4760200 131.854 -151.352 -18.0581 -151.353 159.367 -4.33456 -18.0579 -4.33447 176.082 GPRESSURE: 4760200 139.818 -222.406 52.3711 -157.446 163.262 34.8379 -44.3817 -92.2852 266.001 PRESSAVG: 4760200 24.1984 -46.7436 35.5581 -46.7437 8.28839 -33.4911 35.5582 -33.4911 13.5424 GPRESSAVG: 4760200 24.7011 -49.762 35.2484 -44.1934 7.99373 -33.5573 34.3818 -36.333 12.9126 TIMING: 4760200 CPU: 15350.6, 0.00311898/step Wall: 15350.6, 0.00311898/step, 0.207759 hours remaining, 235.972656 MB of memory in use. ENERGY: 4760200 3940.8702 20390.2006 14435.3914 243.8292 -203266.8726 2533.6793 0.0000 0.0000 52073.7275 -109649.1744 299.2684 -161722.9019 -109284.5916 299.1354 155.7678 189.6938 759170.6731 15.3430 15.2025 LDB: ============= START OF LOAD BALANCING ============== 15363 LDB: ============== END OF LOAD BALANCING =============== 15363 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15363 LDB: ============= START OF LOAD BALANCING ============== 15363.3 LDB: Largest compute 7047 load 0.030482 is 15.6% of average load 0.195719 LDB: Average compute 0.004371 is 2.2% of average load 0.195719 LDB: TIME 15363.3 LOAD: AVG 0.195719 MAX 0.217612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.062 MB LDB: TIME 15363.3 LOAD: AVG 0.195719 MAX 0.217612 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: TIME 15363.3 LOAD: AVG 0.195719 MAX 0.217612 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: ============== END OF LOAD BALANCING =============== 15363.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15363.3 PRESSURE: 4760400 72.8468 -45.1764 -32.1964 -45.1765 -187.005 -78.8885 -32.1966 -78.8885 -271.359 GPRESSURE: 4760400 85.2542 -34.5995 -38.5201 -111.73 -115.206 -169.749 29.3782 -60.1878 -251.127 PRESSAVG: 4760400 11.7304 -45.3937 25.6212 -45.3937 10.3438 -20.7182 25.6212 -20.7182 5.31207 GPRESSAVG: 4760400 11.142 -44.292 24.1484 -47.1798 10.6242 -19.6541 27.2426 -22.0893 5.51349 TIMING: 4760400 CPU: 15351.2, 0.00320984/step Wall: 15351.2, 0.00320984/step, 0.213632 hours remaining, 235.843750 MB of memory in use. ENERGY: 4760400 3961.1080 20581.5419 14443.7916 261.1738 -203125.6053 2471.1270 0.0000 0.0000 52190.4365 -109216.4265 299.9392 -161406.8630 -108859.6921 299.4526 -128.5058 -93.6930 761178.9409 9.1288 9.0932 PRESSURE: 4760600 51.4481 -369.188 52.0365 -369.189 371.909 -45.8189 52.0369 -45.819 7.15771 GPRESSURE: 4760600 97.6904 -272.011 50.9148 -295.391 370.041 -43.9828 42.3671 -133.232 36.2685 PRESSAVG: 4760600 -11.8311 -43.2325 4.23928 -43.2325 20.6565 -11.9053 4.2393 -11.9054 -21.2698 GPRESSAVG: 4760600 -11.234 -43.4005 5.9512 -42.2999 20.7918 -11.8826 5.30439 -9.81926 -21.9822 TIMING: 4760600 CPU: 15351.8, 0.00314776/step Wall: 15351.8, 0.00314776/step, 0.209326 hours remaining, 235.914062 MB of memory in use. ENERGY: 4760600 3951.5489 20503.8447 14534.9199 237.2700 -203321.6014 2403.2514 0.0000 0.0000 52237.4293 -109453.3371 300.2092 -161690.7664 -109079.4845 299.4464 143.5048 167.9999 760165.9244 -4.1481 -4.1415 PRESSURE: 4760800 -365.825 -19.1924 -92.2391 -19.192 -251.804 -127.102 -92.2394 -127.102 -239.544 GPRESSURE: 4760800 -314.006 84.9104 -62.4053 -106.463 -267.827 -100.994 -154.221 -7.92101 -197.353 PRESSAVG: 4760800 35.6634 -66.9939 23.6234 -66.9939 -26.3593 -4.11855 23.6234 -4.11848 8.0421 GPRESSAVG: 4760800 37.091 -66.387 23.1729 -66.6083 -27.8938 -5.23871 22.8676 -4.49362 7.83876 TIMING: 4760800 CPU: 15352.5, 0.00311434/step Wall: 15352.5, 0.00311434/step, 0.20693 hours remaining, 235.914062 MB of memory in use. ENERGY: 4760800 4151.5174 20584.3253 14468.9935 225.7666 -203320.3951 2449.6319 0.0000 0.0000 51932.8958 -109507.2646 298.4591 -161440.1604 -109144.0098 299.4909 -285.7241 -259.7289 761637.1192 5.7821 5.6787 PRESSURE: 4761000 -70.1533 -128.725 78.7312 -128.725 -96.6012 58.647 78.7316 58.647 -43.191 GPRESSURE: 4761000 18.5127 -68.6175 127.821 -119.285 -96.4653 57.5273 -61.1145 110.106 -53.8905 PRESSAVG: 4761000 -4.09408 29.7474 -18.7859 29.7474 -70.4632 49.9672 -18.7859 49.9672 -10.1648 GPRESSAVG: 4761000 -4.30648 30.244 -19.66 28.8671 -70.1032 49.2203 -19.5218 49.6176 -10.1957 TIMING: 4761000 CPU: 15353.1, 0.00314268/step Wall: 15353.1, 0.00314268/step, 0.208639 hours remaining, 235.914062 MB of memory in use. ENERGY: 4761000 4064.5805 20549.1034 14460.9871 264.1474 -203334.8787 2524.5746 0.0000 0.0000 51857.7030 -109613.7826 298.0269 -161471.4856 -109256.2914 299.3436 -69.9818 -43.9477 762082.9282 -28.2407 -28.2018 PRESSURE: 4761200 39.4562 -115.048 -49.5717 -115.047 47.7805 -216.797 -49.5709 -216.797 236.465 GPRESSURE: 4761200 192.637 -238.797 112.37 -120.393 -4.75095 -170.635 -3.16329 -205.809 235.09 PRESSAVG: 4761200 38.1313 -35.6171 -37.3236 -35.6171 -22.4241 -48.8731 -37.3237 -48.8731 16.1373 GPRESSAVG: 4761200 36.9794 -36.6539 -37.4657 -34.3899 -22.4758 -47.0513 -35.0544 -48.941 17.2347 TIMING: 4761200 CPU: 15353.7, 0.00316564/step Wall: 15353.7, 0.00316564/step, 0.209988 hours remaining, 235.914062 MB of memory in use. ENERGY: 4761200 3969.8554 20530.1776 14473.1983 257.7547 -203835.0816 2814.9645 0.0000 0.0000 51980.1811 -109808.9500 298.7308 -161789.1311 -109445.3325 299.2107 107.9006 140.9921 761116.2650 10.6148 10.5794 PRESSURE: 4761400 55.2593 -107.44 -76.8002 -107.44 364.378 -41.5546 -76.7998 -41.5547 372.45 GPRESSURE: 4761400 227.761 1.18083 -121.947 -102.676 293.761 -35.599 -111.634 -16.6016 354.177 PRESSAVG: 4761400 -52.1157 -55.3419 -9.67537 -55.3419 33.5896 -34.035 -9.67531 -34.0349 16.457 GPRESSAVG: 4761400 -52.1065 -53.5282 -8.87361 -55.899 33.6089 -34.7583 -11.6236 -31.9267 16.3897 TIMING: 4761400 CPU: 15354.4, 0.00313513/step Wall: 15354.4, 0.00313513/step, 0.20779 hours remaining, 235.914062 MB of memory in use. ENERGY: 4761400 3933.7254 20671.5681 14506.9293 234.1272 -203720.5256 2552.9096 0.0000 0.0000 51936.6266 -109884.6394 298.4805 -161821.2660 -109518.7343 298.9396 264.0291 291.8997 758806.8748 -0.6897 -0.7026 PRESSURE: 4761600 -80.4486 22.7405 -104.308 22.7406 133.811 269.232 -104.308 269.233 294.781 GPRESSURE: 4761600 -70.8464 60.154 -166.803 36.1278 196.898 293.697 90.0933 117.067 300.058 PRESSAVG: 4761600 -10.5166 -4.14737 7.93925 -4.1474 31.121 14.9395 7.93923 14.9395 7.28595 GPRESSAVG: 4761600 -9.47395 -5.91629 6.9613 -4.30063 30.8163 15.9179 9.7033 12.575 6.09797 TIMING: 4761600 CPU: 15355, 0.00312783/step Wall: 15355, 0.00312783/step, 0.207132 hours remaining, 235.914062 MB of memory in use. ENERGY: 4761600 3843.3889 20611.4389 14458.6285 230.8649 -203752.8162 2573.7106 0.0000 0.0000 51872.8745 -110161.9099 298.1141 -162034.7844 -109809.4600 298.5317 116.0478 142.0365 759680.9575 9.2968 9.1468 PRESSURE: 4761800 35.4847 -127.898 258.058 -127.898 19.7174 -211.563 258.059 -211.564 3.19614 GPRESSURE: 4761800 116.416 -71.7262 239.885 -60.0412 70.0686 -196.252 202.234 -87.2618 -38.8268 PRESSAVG: 4761800 26.3782 -47.5301 -1.40189 -47.53 -26.1419 -26.5609 -1.40196 -26.561 5.09874 GPRESSAVG: 4761800 24.7517 -47.0056 0.585472 -47.4168 -26.5726 -27.9583 -1.59691 -24.8191 6.63992 TIMING: 4761800 CPU: 15355.6, 0.00315904/step Wall: 15355.6, 0.00315904/step, 0.209023 hours remaining, 235.921875 MB of memory in use. ENERGY: 4761800 3945.2374 20431.3482 14469.7801 241.1026 -203775.8926 2549.4134 0.0000 0.0000 52033.4715 -110105.5394 299.0371 -162139.0109 -109736.6750 297.9585 19.4661 49.2192 758280.8657 1.7783 1.6064 PRESSURE: 4762000 251.61 5.0338 84.7849 5.03316 -34.2478 -39.3576 84.7853 -39.3574 -150.434 GPRESSURE: 4762000 394.663 30.2184 146.953 -33.516 -35.7796 -42.3675 7.83876 17.2735 -194.087 PRESSAVG: 4762000 -1.54474 -29.7983 24.3525 -29.7982 -12.4695 -27.0713 24.3526 -27.0713 -7.37833 GPRESSAVG: 4762000 -1.22402 -31.8144 23.0403 -30.0761 -11.7868 -25.9097 23.6256 -28.8657 -8.73315 TIMING: 4762000 CPU: 15356.2, 0.00311774/step Wall: 15356.2, 0.00311774/step, 0.206117 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4762000 3953.5769 20210.6958 14452.2083 245.4379 -203626.8898 2589.9966 0.0000 0.0000 52037.4335 -110137.5408 299.0598 -162174.9743 -109775.1913 298.3847 22.3093 54.9320 759129.5186 -7.1309 -7.2480 PRESSURE: 4762200 -29.797 198.691 -57.2022 198.689 -276.842 74.5853 -57.2032 74.5863 -156.065 GPRESSURE: 4762200 -55.9797 168.367 -116.848 167.414 -146.194 80.0133 62.8855 169.695 -155.685 PRESSAVG: 4762200 -7.64854 -34.3707 -1.58077 -34.3707 7.48361 17.5064 -1.58075 17.5064 12.68 GPRESSAVG: 4762200 -7.96297 -30.9662 -2.5622 -33.3421 8.5097 15.7697 -1.76428 20.2929 11.5636 TIMING: 4762200 CPU: 15356.9, 0.0031394/step Wall: 15356.9, 0.00313939/step, 0.207374 hours remaining, 235.921875 MB of memory in use. ENERGY: 4762200 3893.8178 20348.7678 14459.3495 247.0872 -203589.0049 2365.6983 0.0000 0.0000 52118.4267 -110155.8575 299.5253 -162274.2842 -109797.4771 298.2301 -154.2346 -119.2862 758819.5409 4.1717 4.0368 PRESSURE: 4762400 -42.4937 -5.16316 -58.4722 -5.16365 -90.8755 99.2589 -58.4723 99.2569 -288.554 GPRESSURE: 4762400 -6.26352 5.9685 -12.6007 -47.9801 -7.90271 -19.5315 -122.852 -11.4484 -311.418 PRESSAVG: 4762400 24.584 -58.417 28.0509 -58.417 -8.53083 58.7123 28.0508 58.7122 37.1254 GPRESSAVG: 4762400 25.7121 -59.9726 29.3031 -57.9908 -9.69707 60.5118 25.846 56.2108 37.2845 TIMING: 4762400 CPU: 15357.5, 0.00316181/step Wall: 15357.5, 0.00316181/step, 0.20868 hours remaining, 235.921875 MB of memory in use. ENERGY: 4762400 3993.6068 20436.7992 14416.1306 256.2946 -203459.3862 2381.1121 0.0000 0.0000 51851.5862 -110123.8567 297.9918 -161975.4429 -109765.4554 298.2480 -140.6412 -108.5281 759473.1046 17.7262 17.7665 PRESSURE: 4762600 -155.399 215.18 -112.038 215.18 88.2788 42.8498 -112.038 42.849 -460.732 GPRESSURE: 4762600 -203.377 178.677 -132.864 261.509 107.936 91.0692 -5.13553 -1.14193 -361.521 PRESSAVG: 4762600 12.4906 -10.2406 69.0706 -10.2406 10.6579 -28.8264 69.0705 -28.8264 4.06541 GPRESSAVG: 4762600 11.1204 -11.7647 68.5551 -9.34079 11.4066 -30.2816 70.1986 -25.8689 5.22979 TIMING: 4762600 CPU: 15358.1, 0.00315696/step Wall: 15358.1, 0.00315696/step, 0.208184 hours remaining, 235.921875 MB of memory in use. ENERGY: 4762600 4013.4637 20543.9562 14480.8098 259.2759 -204366.3422 2771.9488 0.0000 0.0000 52094.2880 -110202.5998 299.3866 -162296.8878 -109849.3133 298.5440 -175.9505 -152.3208 758770.6155 9.0713 9.2523 PRESSURE: 4762800 -256.867 -11.9832 -114.782 -11.9835 12.8121 -58.1022 -114.782 -58.1007 -170.856 GPRESSURE: 4762800 -183.505 -41.4787 -117.423 -41.8489 -34.1811 46.5187 -143.136 -113.874 -114.4 PRESSAVG: 4762800 -19.8895 -53.8152 8.08206 -53.8152 -11.7618 -5.55309 8.08203 -5.55311 2.57872 GPRESSAVG: 4762800 -19.0407 -53.6986 8.81792 -55.0405 -13.2013 -3.87366 7.52414 -7.53183 2.83509 TIMING: 4762800 CPU: 15358.8, 0.00314805/step Wall: 15358.8, 0.00314805/step, 0.207422 hours remaining, 235.921875 MB of memory in use. ENERGY: 4762800 3974.7437 20338.2921 14546.7979 243.5615 -203641.9034 2386.7960 0.0000 0.0000 52072.3223 -110079.3897 299.2604 -162151.7121 -109710.2552 298.5640 -138.3036 -110.6953 758646.9964 -9.6909 -9.8023 PRESSURE: 4763000 248.757 130.891 114.848 130.891 -41.8487 191.518 114.849 191.518 -235.246 GPRESSURE: 4763000 270.464 15.6877 90.8022 193.01 -46.8803 107.435 206.455 227.779 -148.576 PRESSAVG: 4763000 -14.1249 -49.3097 -13.0851 -49.3097 -18.6589 -8.42113 -13.0851 -8.42106 28.4717 GPRESSAVG: 4763000 -14.2041 -49.6944 -12.8999 -48.5062 -17.897 -9.042 -11.7327 -7.95055 27.903 TIMING: 4763000 CPU: 15359.4, 0.00315654/step Wall: 15359.4, 0.00315654/step, 0.207806 hours remaining, 235.921875 MB of memory in use. ENERGY: 4763000 3946.3377 20457.9206 14453.3496 244.0089 -203909.0754 2654.3362 0.0000 0.0000 51999.9855 -110153.1369 298.8446 -162153.1225 -109805.8225 298.8146 -9.4460 25.0026 758554.7332 -1.4374 -1.3994 PRESSURE: 4763200 -447.171 -20.37 -56.8015 -20.3699 -247.72 -12.7781 -56.8006 -12.7773 -296.298 GPRESSURE: 4763200 -365.583 -17.3725 -60.3473 -48.0114 -263.071 -113.825 -99.7254 61.5099 -276.894 PRESSAVG: 4763200 28.6081 -14.329 38.0017 -14.3291 16.2662 -70.8788 38.0018 -70.8788 -10.6466 GPRESSAVG: 4763200 30.3386 -13.5688 36.958 -16.2719 13.9592 -70.7214 38.5207 -71.9231 -10.3165 TIMING: 4763200 CPU: 15360, 0.0031818/step Wall: 15360, 0.0031818/step, 0.209292 hours remaining, 235.921875 MB of memory in use. ENERGY: 4763200 4031.3470 20429.4517 14371.4866 239.5492 -203511.5700 2435.4307 0.0000 0.0000 51920.2648 -110084.0401 298.3865 -162004.3049 -109727.7127 298.5971 -330.3965 -301.8493 760115.9891 11.4092 11.3271 PRESSURE: 4763400 -3.88695 -117.494 -360.983 -117.495 74.058 -28.5656 -360.983 -28.5662 455.589 GPRESSURE: 4763400 72.4511 -77.1568 -333.155 -124.611 69.8912 31.5955 -310.74 -97.3769 453.65 PRESSAVG: 4763400 68.6624 -80.0455 8.51231 -80.0455 4.89143 -9.98555 8.51229 -9.98553 -14.4267 GPRESSAVG: 4763400 66.8922 -79.6341 9.19196 -79.7653 6.48327 -8.98294 8.70188 -10.4815 -14.5958 TIMING: 4763400 CPU: 15360.7, 0.00318279/step Wall: 15360.7, 0.00318279/step, 0.20918 hours remaining, 235.921875 MB of memory in use. ENERGY: 4763400 3927.8743 20496.2976 14458.4831 248.1517 -203927.7821 2693.0822 0.0000 0.0000 51890.3240 -110213.5692 298.2144 -162103.8932 -109856.6372 297.9605 175.2534 198.6642 760538.6222 19.7090 19.5932 PRESSURE: 4763600 -236.404 -238.275 123.896 -238.275 -145.536 39.0927 123.897 39.0929 -393.833 GPRESSURE: 4763600 -208.163 -171.384 47.5938 -162.298 -77.0792 7.79999 105.076 -105.341 -404.391 PRESSAVG: 4763600 26.998 -78.541 14.6271 -78.5411 -50.1816 14.5171 14.6271 14.5171 -8.96654 GPRESSAVG: 4763600 27.3927 -77.9611 14.2541 -78.2607 -50.2418 14.0378 13.003 15.3733 -9.59907 TIMING: 4763600 CPU: 15361.3, 0.00315676/step Wall: 15361.3, 0.00315676/step, 0.207294 hours remaining, 235.921875 MB of memory in use. ENERGY: 4763600 4014.0227 20401.8273 14431.2980 251.7325 -203474.6530 2324.9485 0.0000 0.0000 51763.0812 -110287.7429 297.4831 -162050.8241 -109945.8581 298.3075 -258.5911 -229.8774 761657.0444 -10.7167 -10.8161 PRESSURE: 4763800 -75.9639 -74.0302 185.702 -74.0307 -72.3814 -178.757 185.702 -178.757 259.223 GPRESSURE: 4763800 41.583 -141.874 164.864 -61.6698 -86.3204 -187.864 110.528 -142.022 250.47 PRESSAVG: 4763800 24.4243 -54.7647 -6.23864 -54.7648 -28.8608 -19.0712 -6.23857 -19.0711 -9.33783 GPRESSAVG: 4763800 23.9676 -56.0362 -5.65069 -53.3702 -28.6726 -19.7728 -6.04445 -17.3123 -9.35718 TIMING: 4763800 CPU: 15361.9, 0.00315435/step Wall: 15361.9, 0.00315435/step, 0.20696 hours remaining, 235.921875 MB of memory in use. ENERGY: 4763800 3964.9459 20536.8266 14452.1471 259.9701 -204473.6431 3149.6835 0.0000 0.0000 51840.4721 -110269.5978 297.9279 -162110.0699 -109914.4057 297.9658 36.9592 68.5777 759858.3106 -4.5914 -4.6874 PRESSURE: 4764000 -132.928 -111.029 -181.211 -111.029 78.8639 -0.948623 -181.211 -0.948849 -109.393 GPRESSURE: 4764000 -93.0523 -218.903 -189.237 -146.514 135.142 75.8903 -60.0572 -43.6915 -112.478 PRESSAVG: 4764000 5.1294 -64.9034 -11.1406 -64.9034 13.2843 -8.40997 -11.1406 -8.40999 -22.9544 GPRESSAVG: 4764000 4.51783 -64.1977 -11.0294 -67.2196 12.9716 -8.8833 -12.5384 -7.99578 -21.467 TIMING: 4764000 CPU: 15362.6, 0.00313765/step Wall: 15362.6, 0.00313765/step, 0.20569 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4764000 3921.9651 20483.7974 14405.9820 228.9955 -203629.1054 2446.3717 0.0000 0.0000 52075.4977 -110066.4959 299.2786 -162141.9936 -109709.6489 298.5739 -54.4857 -23.4627 759489.8061 -1.5136 -1.3258 PRESSURE: 4764200 -20.943 -164.564 -217.591 -164.565 12.012 -84.6838 -217.591 -84.6842 139.411 GPRESSURE: 4764200 -11.4156 -124.794 -251.31 -207.889 87.4569 -8.33726 -241.32 -153.014 127.325 PRESSAVG: 4764200 9.28592 -46.7174 -25.7158 -46.7175 -25.9139 -24.8537 -25.7159 -24.8537 -7.31369 GPRESSAVG: 4764200 9.84594 -48.5079 -25.6554 -45.7382 -24.9832 -24.7992 -23.3759 -28.0183 -8.63474 TIMING: 4764200 CPU: 15363.2, 0.00315469/step Wall: 15363.2, 0.00315469/step, 0.206632 hours remaining, 235.906250 MB of memory in use. ENERGY: 4764200 3888.3042 20566.8077 14422.8029 251.3317 -203759.5016 2616.5370 0.0000 0.0000 51953.2916 -110060.4266 298.5763 -162013.7182 -109701.9845 298.6472 43.4932 67.7886 760464.4610 -7.9806 -7.9240 LDB: ============= START OF LOAD BALANCING ============== 15375.6 LDB: ============== END OF LOAD BALANCING =============== 15375.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15375.6 LDB: ============= START OF LOAD BALANCING ============== 15375.9 LDB: Largest compute 7037 load 0.033343 is 17.0% of average load 0.195678 LDB: Average compute 0.004356 is 2.2% of average load 0.195678 LDB: TIME 15375.9 LOAD: AVG 0.195678 MAX 0.212673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.016 MB LDB: TIME 15375.9 LOAD: AVG 0.195678 MAX 0.212673 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: TIME 15375.9 LOAD: AVG 0.195678 MAX 0.212673 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: ============== END OF LOAD BALANCING =============== 15375.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15375.9 PRESSURE: 4764400 -165.168 -90.9193 200.027 -90.9194 -253.358 82.2206 200.027 82.2207 -412.435 GPRESSURE: 4764400 -93.4915 -65.3984 122.721 -147.052 -313.805 121.468 198.409 185.675 -342.595 PRESSAVG: 4764400 8.80063 -12.9719 -7.47783 -12.9719 29.5916 -9.12279 -7.47782 -9.12273 5.3963 GPRESSAVG: 4764400 9.84605 -11.3027 -8.01818 -12.417 28.2161 -8.36312 -9.88949 -7.5807 5.50161 TIMING: 4764400 CPU: 15363.8, 0.00322896/step Wall: 15363.8, 0.00322896/step, 0.211318 hours remaining, 236.097656 MB of memory in use. ENERGY: 4764400 4115.5393 20405.1903 14441.4341 244.5244 -203755.3885 2451.4960 0.0000 0.0000 52075.8664 -110021.3380 299.2807 -162097.2045 -109665.0194 298.7053 -276.9871 -249.9637 761172.1101 14.5962 14.5212 PRESSURE: 4764600 99.7972 -180.022 118.045 -180.022 -10.2217 -122.63 118.044 -122.631 13.8268 GPRESSURE: 4764600 98.9714 -145.723 86.5543 -144.966 65.1387 -127.777 89.3235 13.1796 39.7481 PRESSAVG: 4764600 -3.06337 -5.58565 16.2425 -5.58563 0.389013 44.1092 16.2424 44.1092 -5.34877 GPRESSAVG: 4764600 -4.46743 -5.19002 16.5016 -6.40079 0.757934 44.9146 17.981 44.688 -4.49789 TIMING: 4764600 CPU: 15364.5, 0.00314839/step Wall: 15364.5, 0.00314839/step, 0.205869 hours remaining, 236.425781 MB of memory in use. ENERGY: 4764600 3955.0294 20423.7520 14460.0508 258.2227 -203528.7971 2480.4074 0.0000 0.0000 51705.2859 -110246.0488 297.1510 -161951.3347 -109882.5418 297.9623 34.4674 67.9528 760898.4541 -2.6744 -2.7358 PRESSURE: 4764800 12.0023 -114.918 198.733 -114.919 103.838 -98.8731 198.733 -98.8733 265.096 GPRESSURE: 4764800 -8.58141 -33.87 171.436 -144.742 127.475 -14.5854 142.97 -68.8302 353.815 PRESSAVG: 4764800 25.3838 5.45564 35.2065 5.45571 -68.9104 0.784205 35.2065 0.784178 -1.09934 GPRESSAVG: 4764800 25.9329 5.19788 34.472 5.75628 -68.2569 -0.0912356 33.2937 -0.701782 -2.0714 TIMING: 4764800 CPU: 15365.1, 0.00313659/step Wall: 15365.1, 0.00313659/step, 0.204924 hours remaining, 236.562500 MB of memory in use. ENERGY: 4764800 3908.1947 20567.8226 14387.0548 253.2146 -203773.2148 2666.9848 0.0000 0.0000 51960.3663 -110029.5770 298.6169 -161989.9433 -109692.9896 298.3032 126.9789 157.5697 759391.3598 -14.8753 -14.7985 PRESSURE: 4765000 -65.5445 -62.0779 114.49 -62.0778 -114.264 132.785 114.49 132.784 19.8253 GPRESSURE: 4765000 -14.3737 28.7321 88.0718 -14.6385 -21.789 164.249 -2.42796 137.571 -38.6755 PRESSAVG: 4765000 31.9202 -29.6381 6.88052 -29.6381 -21.8011 24.6372 6.88046 24.6371 13.0769 GPRESSAVG: 4765000 32.4047 -27.69 6.41749 -30.7978 -22.6738 25.3423 9.44173 25.5944 12.9282 TIMING: 4765000 CPU: 15365.7, 0.00312179/step Wall: 15365.7, 0.00312179/step, 0.203783 hours remaining, 236.562500 MB of memory in use. ENERGY: 4765000 4057.1974 20419.5881 14454.4373 234.7393 -203473.9047 2343.6468 0.0000 0.0000 51959.4292 -110004.8666 298.6116 -161964.2957 -109643.9761 298.8595 -53.3276 -24.9460 760622.1604 7.7320 7.5530 PRESSURE: 4765200 -107.803 -23.4379 -60.6011 -23.4384 -65.7568 -24.1846 -60.6012 -24.1844 171.597 GPRESSURE: 4765200 -114.161 -111.164 -11.6823 -30.9218 14.5677 -154.85 -106.689 31.3521 188.96 PRESSAVG: 4765200 -21.6897 3.69909 -17.5021 3.6991 -20.5307 7.26471 -17.5021 7.26465 -11.8606 GPRESSAVG: 4765200 -21.938 2.77544 -15.5024 3.88024 -20.2836 5.69059 -18.6044 7.61865 -12.0984 TIMING: 4765200 CPU: 15366.3, 0.00311938/step Wall: 15366.3, 0.00311938/step, 0.203453 hours remaining, 236.761719 MB of memory in use. ENERGY: 4765200 3950.4939 20619.8782 14446.0913 239.8762 -203602.3242 2500.7049 0.0000 0.0000 51719.1982 -110126.0815 297.2309 -161845.2797 -109778.7898 297.9366 -0.6544 29.7889 759006.3904 -18.0270 -18.1067 PRESSURE: 4765400 25.7752 89.1538 154.401 89.1539 313.924 -56.9576 154.4 -56.9582 -7.23102 GPRESSURE: 4765400 135.439 61.2095 117.73 142.144 276.274 -52.7915 240.511 -75.1251 -20.9688 PRESSAVG: 4765400 -22.8929 -0.975379 -15.5433 -0.975383 52.8129 -45.6153 -15.5433 -45.6154 9.38527 GPRESSAVG: 4765400 -22.1439 -2.05728 -15.9839 -1.2898 51.2191 -44.7673 -14.8029 -47.3575 10.3518 TIMING: 4765400 CPU: 15367, 0.00311594/step Wall: 15367, 0.00311594/step, 0.203055 hours remaining, 236.777344 MB of memory in use. ENERGY: 4765400 3950.0061 20566.5856 14420.1585 237.6155 -203676.0128 2686.7502 0.0000 0.0000 51760.7815 -110054.1154 297.4699 -161814.8970 -109702.8520 298.4366 110.8228 130.2481 759444.9225 13.1018 13.1423 PRESSURE: 4765600 -133.824 8.50507 -96.3675 8.50483 323.08 -159.636 -96.3679 -159.637 122.046 GPRESSURE: 4765600 -45.4034 99.2736 -106.778 56.7723 331.363 -200.83 -68.9423 -74.323 105.345 PRESSAVG: 4765600 12.8183 9.42114 59.8057 9.42111 -0.643736 -48.0855 59.8056 -48.0855 22.1808 GPRESSAVG: 4765600 11.4303 9.89619 60.5853 11.0835 2.00869 -49.069 59.2649 -47.6905 21.3383 TIMING: 4765600 CPU: 15367.6, 0.0031388/step Wall: 15367.6, 0.0031388/step, 0.20437 hours remaining, 236.777344 MB of memory in use. ENERGY: 4765600 4006.7616 20520.3763 14452.2210 221.0800 -203204.2019 2367.7511 0.0000 0.0000 51740.3703 -109895.6415 297.3526 -161636.0118 -109544.3864 298.4888 103.7672 130.4349 760423.1601 11.4518 11.5925 PRESSURE: 4765800 128.153 4.86149 126.862 4.86175 -186.185 -57.4949 126.862 -57.4933 19.4758 GPRESSURE: 4765800 113.842 -59.3188 72.4985 -47.8901 -99.565 -34.8039 123.332 -132.584 47.464 PRESSAVG: 4765800 96.0839 -30.4612 17.6662 -30.4612 -36.9715 17.7208 17.6663 17.7209 -21.9609 GPRESSAVG: 4765800 96.5747 -29.8026 17.0692 -29.8951 -38.8391 18.9493 16.6544 19.6476 -20.3597 TIMING: 4765800 CPU: 15368.2, 0.00312579/step Wall: 15368.2, 0.00312579/step, 0.20335 hours remaining, 236.777344 MB of memory in use. ENERGY: 4765800 3995.9979 20358.4377 14424.0182 253.2619 -203394.4588 2582.0983 0.0000 0.0000 51873.9454 -109906.6994 298.1203 -161780.6447 -109547.5563 298.0977 -12.8522 20.5803 759149.7025 12.3838 12.4586 PRESSURE: 4766000 -260.753 -97.8749 -24.3052 -97.8746 -0.713177 23.1324 -24.3055 23.1319 69.6007 GPRESSURE: 4766000 -152.342 -62.201 14.2128 -133.425 -8.30088 95.0731 -41.2687 -149.666 55.178 PRESSAVG: 4766000 15.9715 -9.4367 16.5252 -9.43667 -11.0022 36.4606 16.5253 36.4606 -11.6529 GPRESSAVG: 4766000 15.9055 -11.469 17.243 -7.36955 -10.5623 35.5004 17.7109 34.4882 -11.9871 TIMING: 4766000 CPU: 15368.8, 0.00314354/step Wall: 15368.8, 0.00314354/step, 0.20433 hours remaining, 236.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4766000 3886.2341 20529.4917 14335.5678 238.8361 -203030.9450 2197.4419 0.0000 0.0000 51929.7887 -109913.5847 298.4412 -161843.3734 -109547.6716 298.1226 -63.9552 -35.1550 761324.3751 -2.2279 -2.2146 PRESSURE: 4766200 -160.75 -90.4339 -56.3408 -90.4341 -135.053 -180.773 -56.3411 -180.772 -49.6716 GPRESSURE: 4766200 -186.61 -74.4404 -8.0509 30.8931 -102.93 -204.268 -23.7055 -79.5566 33.5298 PRESSAVG: 4766200 16.6658 -49.7239 -16.5316 -49.7239 -39.1931 34.1952 -16.5315 34.1952 -11.106 GPRESSAVG: 4766200 17.1569 -48.7601 -18.0161 -50.3693 -39.8327 33.9099 -17.1463 34.6122 -10.8012 TIMING: 4766200 CPU: 15369.5, 0.00312996/step Wall: 15369.5, 0.00312996/step, 0.203274 hours remaining, 236.777344 MB of memory in use. ENERGY: 4766200 4007.8685 20372.4411 14443.4522 274.9450 -203411.6849 2463.7557 0.0000 0.0000 51902.3626 -109946.8598 298.2836 -161849.2224 -109588.7254 298.2713 -115.1583 -85.3367 760995.7681 -11.2111 -11.1590 PRESSURE: 4766400 101.975 70.511 -87.4715 70.5107 46.9811 -103.348 -87.4707 -103.349 -200.958 GPRESSURE: 4766400 81.7378 83.81 -77.7601 -6.71301 19.5785 -203.806 -213.059 -92.3332 -63.1794 PRESSAVG: 4766400 28.3622 -66.7214 0.702135 -66.7214 -1.63839 -74.7491 0.702164 -74.7491 12.541 GPRESSAVG: 4766400 28.103 -64.0529 1.54121 -70.5682 -1.69943 -74.7172 2.1943 -73.8662 13.0968 TIMING: 4766400 CPU: 15370.1, 0.00312447/step Wall: 15370.1, 0.00312447/step, 0.202743 hours remaining, 236.777344 MB of memory in use. ENERGY: 4766400 3975.3955 20619.1481 14416.6264 246.3700 -203592.0478 2619.8392 0.0000 0.0000 51840.4246 -109874.2440 297.9276 -161714.6686 -109516.9429 298.7304 -17.3340 12.7123 761619.5866 13.0883 13.1668 PRESSURE: 4766600 -330.344 -17.259 -290.143 -17.2589 -84.0733 262.851 -290.143 262.851 -278.936 GPRESSURE: 4766600 -284.589 -40.7433 -242.473 -19.5465 56.7854 193.862 -219.769 248.02 -367.343 PRESSAVG: 4766600 -19.9073 -32.097 -36.6695 -32.097 15.8132 -21.6436 -36.6695 -21.6436 12.5472 GPRESSAVG: 4766600 -20.3552 -35.446 -36.6297 -28.3523 16.711 -22.3898 -38.7853 -22.8797 11.5447 TIMING: 4766600 CPU: 15370.7, 0.00311776/step Wall: 15370.7, 0.00311776/step, 0.202135 hours remaining, 236.777344 MB of memory in use. ENERGY: 4766600 3960.1094 20465.1077 14414.6826 253.5544 -203407.3933 2284.9554 0.0000 0.0000 51996.4555 -110032.5283 298.8243 -162028.9838 -109670.2155 298.3791 -231.1178 -198.3820 760856.8575 2.8177 2.6335 PRESSURE: 4766800 451.459 25.9833 119.724 25.9834 53.5903 126.65 119.725 126.651 200.82 GPRESSURE: 4766800 543.653 47.036 139.145 24.6938 25.3353 120.108 99.9943 159.483 222.361 PRESSAVG: 4766800 11.5529 -91.1608 50.8294 -91.1608 -33.3009 -2.03669 50.8293 -2.0366 -13.7477 GPRESSAVG: 4766800 12.4337 -91.0065 50.8825 -92.6517 -33.7202 -3.00858 54.0287 -3.40418 -14.4885 TIMING: 4766800 CPU: 15371.3, 0.00310656/step Wall: 15371.3, 0.00310656/step, 0.201236 hours remaining, 236.777344 MB of memory in use. ENERGY: 4766800 3922.4157 20377.0670 14395.7946 244.0021 -203965.6915 2887.0509 0.0000 0.0000 52111.3752 -110027.9860 299.4848 -162139.3612 -109660.9696 298.3466 235.2896 263.7833 758314.7176 -11.8319 -11.9250 PRESSURE: 4767000 370.692 17.7884 -52.328 17.7888 53.8184 -21.6021 -52.3281 -21.6022 22.8878 GPRESSURE: 4767000 382.485 29.3481 -58.4404 8.9248 95.2357 -9.85408 -51.7839 -65.2876 50.0357 PRESSAVG: 4767000 13.0245 -66.5107 79.7674 -66.5107 -45.1399 -41.2092 79.7675 -41.2092 4.56266 GPRESSAVG: 4767000 13.6146 -65.2366 78.1482 -65.0275 -46.8771 -37.5626 78.0551 -40.3898 5.62476 TIMING: 4767000 CPU: 15372, 0.0031085/step Wall: 15372, 0.00310849/step, 0.201189 hours remaining, 236.777344 MB of memory in use. ENERGY: 4767000 3931.0049 20574.1293 14460.0422 241.5251 -203594.2531 2612.3352 0.0000 0.0000 51900.4487 -109874.7677 298.2726 -161775.2164 -109525.3595 298.5723 149.1326 175.9189 760267.0279 -9.1843 -9.2126 PRESSURE: 4767200 287.302 -36.7214 247.617 -36.7221 49.1779 -221.704 247.617 -221.703 334.45 GPRESSURE: 4767200 263.74 8.50357 232.964 -56.1785 122.923 -152.38 106.034 -307.16 361.238 PRESSAVG: 4767200 51.6766 -12.886 47.3616 -12.8861 -35.9658 -10.7004 47.3617 -10.7004 -6.63339 GPRESSAVG: 4767200 50.3209 -12.9409 48.1287 -14.8715 -34.3664 -11.8491 45.6817 -10.6638 -7.48202 TIMING: 4767200 CPU: 15372.6, 0.00311263/step Wall: 15372.6, 0.00311263/step, 0.201283 hours remaining, 236.777344 MB of memory in use. ENERGY: 4767200 3967.4291 20454.0751 14428.0271 241.8692 -203599.1080 2851.2894 0.0000 0.0000 52026.2406 -109630.1775 298.9955 -161656.4180 -109265.8351 299.2640 223.6431 249.3005 760013.4992 3.0258 2.8242 PRESSURE: 4767400 -369.613 130.48 -313.942 130.48 -85.0372 73.2275 -313.941 73.2278 47.1421 GPRESSURE: 4767400 -242.893 53.1537 -339.999 177.806 -105.773 41.9895 -210.004 -19.6762 35.5203 PRESSAVG: 4767400 36.5074 -2.24369 -1.47815 -2.24362 -38.576 -10.3458 -1.47818 -10.3458 -26.9982 GPRESSAVG: 4767400 36.1356 -1.31183 -0.40748 -0.379612 -38.8677 -9.11675 -0.510396 -10.84 -26.262 TIMING: 4767400 CPU: 15373.2, 0.0031224/step Wall: 15373.2, 0.0031224/step, 0.201742 hours remaining, 236.777344 MB of memory in use. ENERGY: 4767400 4003.0767 20448.1824 14411.5993 232.2861 -203237.7192 2398.4405 0.0000 0.0000 51997.2564 -109746.8778 298.8289 -161744.1342 -109387.6564 299.2046 -135.8361 -104.3820 760536.4847 -9.6889 -9.6647 PRESSURE: 4767600 -202.111 70.5068 71.1976 70.5071 -85.9432 -22.0851 71.1977 -22.0857 -83.5643 GPRESSURE: 4767600 -240.549 74.494 66.2504 -3.31069 -50.3578 29.9045 57.5327 -219.035 -0.497492 PRESSAVG: 4767600 25.893 9.47563 -2.82441 9.47565 -9.34202 -23.5389 -2.82441 -23.5389 3.39394 GPRESSAVG: 4767600 25.2635 7.98172 -4.77936 8.64489 -8.32848 -24.4019 -2.61223 -23.086 2.94188 TIMING: 4767600 CPU: 15373.8, 0.00312429/step Wall: 15373.8, 0.00312429/step, 0.20169 hours remaining, 236.777344 MB of memory in use. ENERGY: 4767600 3958.3185 20418.6540 14409.3712 258.6515 -203326.0045 2417.7547 0.0000 0.0000 51990.1825 -109873.0721 298.7883 -161863.2546 -109508.7146 298.6106 -123.8727 -97.1347 759038.2412 6.6483 6.6257 PRESSURE: 4767800 460.527 136.952 108.183 136.951 305.679 -70.4323 108.183 -70.4326 62.4425 GPRESSURE: 4767800 455.105 64.6784 118.713 76.1506 422.956 -73.468 29.6467 -21.6537 55.0781 PRESSAVG: 4767800 -16.4313 -10.5217 -19.0532 -10.5217 3.18827 17.278 -19.0532 17.2779 14.5025 GPRESSAVG: 4767800 -15.1675 -9.42037 -15.9768 -11.0552 3.00454 15.2636 -19.9316 18.4706 13.7129 TIMING: 4767800 CPU: 15374.5, 0.00313987/step Wall: 15374.5, 0.00313987/step, 0.202522 hours remaining, 236.777344 MB of memory in use. ENERGY: 4767800 4022.9725 20497.8504 14399.2961 239.3731 -203390.7333 2556.4525 0.0000 0.0000 52128.4285 -109546.3602 299.5828 -161674.7887 -109187.6594 299.1600 276.2162 311.0463 760083.5455 0.4198 0.5166 PRESSURE: 4768000 -81.4561 70.0099 129.89 70.0098 -413.356 130.203 129.889 130.203 -56.41 GPRESSURE: 4768000 -102.829 50.9286 40.8431 26.0523 -320.142 176.177 164.501 46.3204 -26.5694 PRESSAVG: 4768000 25.1579 -103.205 49.0131 -103.205 -34.4076 5.71915 49.0132 5.71903 4.00584 GPRESSAVG: 4768000 25.0367 -101.998 45.7878 -104.153 -34.6645 8.76742 51.6244 5.33517 4.42091 TIMING: 4768000 CPU: 15375.1, 0.00313059/step Wall: 15375.1, 0.00313059/step, 0.201749 hours remaining, 236.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4768000 3971.4154 20452.4305 14437.7341 245.1477 -203219.0360 2260.7551 0.0000 0.0000 52230.8591 -109620.6940 300.1715 -161851.5532 -109267.6905 299.7658 -183.7407 -149.8468 760577.1993 -1.7480 -1.7356 PRESSURE: 4768200 74.9542 0.900752 -86.0595 0.901063 -113.266 -113.035 -86.0588 -113.036 227.295 GPRESSURE: 4768200 86.0391 -5.48218 -66.8022 33.1015 -93.326 -139.687 39.1589 -104.815 266.459 PRESSAVG: 4768200 22.9069 -34.4617 -16.4002 -34.4617 16.6812 -0.10861 -16.4002 -0.108579 -1.26641 GPRESSAVG: 4768200 22.6317 -36.2732 -16.2777 -32.9444 16.146 -0.424536 -18.0951 1.36664 -0.886558 TIMING: 4768200 CPU: 15375.7, 0.00311641/step Wall: 15375.7, 0.00311641/step, 0.200662 hours remaining, 236.777344 MB of memory in use. ENERGY: 4768200 3929.2906 20471.3584 14471.3120 249.6662 -203026.4573 2221.2601 0.0000 0.0000 52042.2394 -109641.3306 299.0875 -161683.5701 -109277.8506 299.7008 62.9943 86.3906 761255.8055 12.7739 12.6304 LDB: ============= START OF LOAD BALANCING ============== 15388.1 LDB: ============== END OF LOAD BALANCING =============== 15388.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15388.1 LDB: ============= START OF LOAD BALANCING ============== 15388.4 LDB: Largest compute 7037 load 0.033781 is 17.3% of average load 0.195663 LDB: Average compute 0.004353 is 2.2% of average load 0.195663 LDB: TIME 15388.4 LOAD: AVG 0.195663 MAX 0.215078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 15388.4 LOAD: AVG 0.195663 MAX 0.215078 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 15388.4 LOAD: AVG 0.195663 MAX 0.215078 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 15388.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15388.4 PRESSURE: 4768400 410.306 146.666 52.0154 146.666 292.377 -11.8774 52.0158 -11.878 94.5608 GPRESSURE: 4768400 440.873 135.477 39.95 84.7089 350.945 -27.2564 54.5073 35.8603 97.6534 PRESSAVG: 4768400 20.0046 -70.7048 -77.7371 -70.7048 -39.1597 -20.4237 -77.7371 -20.4237 -2.08634 GPRESSAVG: 4768400 20.1048 -69.4676 -76.6563 -70.4587 -38.6767 -20.8008 -77.4908 -23.3908 -2.59294 TIMING: 4768400 CPU: 15376.3, 0.00319359/step Wall: 15376.3, 0.00319359/step, 0.205454 hours remaining, 234.941406 MB of memory in use. ENERGY: 4768400 3919.0778 20427.4573 14395.3158 249.8770 -203256.2388 2663.0939 0.0000 0.0000 51877.7813 -109723.6357 298.1423 -161601.4170 -109370.8700 299.5146 265.7479 296.4906 761837.5086 -7.0805 -7.0550 PRESSURE: 4768600 58.0581 6.24647 52.8963 6.24664 246.736 228.778 52.8961 228.778 275.783 GPRESSURE: 4768600 196.508 -14.0576 80.0731 82.3146 161.118 238.677 4.59287 160.611 303.705 PRESSAVG: 4768600 2.72407 -71.6258 40.6618 -71.6257 1.7229 21.2383 40.6617 21.2383 1.52404 GPRESSAVG: 4768600 2.2383 -70.026 40.0645 -73.4523 1.7852 21.1035 38.4851 23.6785 1.64591 TIMING: 4768600 CPU: 15377, 0.00315204/step Wall: 15377, 0.00315204/step, 0.202606 hours remaining, 235.269531 MB of memory in use. ENERGY: 4768600 3969.1051 20312.8815 14452.2806 233.8017 -203683.7829 2641.0722 0.0000 0.0000 52167.5148 -109907.1270 299.8074 -162074.6419 -109553.9632 298.7536 193.5255 220.4437 760207.1760 1.9903 1.8898 PRESSURE: 4768800 -44.0479 94.7458 -209.739 94.7452 -532.626 -17.8292 -209.739 -17.8295 369.663 GPRESSURE: 4768800 -68.3003 71.4102 -245.021 67.394 -443.41 -4.05205 -185.133 30.3232 374.754 PRESSAVG: 4768800 11.3839 -0.057027 -56.9127 -0.0571169 -32.2928 16.6139 -56.9127 16.6139 -0.141496 GPRESSAVG: 4768800 11.3132 -2.0278 -56.3718 0.46554 -33.1526 16.8246 -54.7977 16.3074 0.0671419 TIMING: 4768800 CPU: 15377.6, 0.00312768/step Wall: 15377.6, 0.00312768/step, 0.200866 hours remaining, 235.269531 MB of memory in use. ENERGY: 4768800 4022.4994 20347.9099 14510.4099 260.0604 -203488.0389 2371.4965 0.0000 0.0000 51951.5048 -110024.1581 298.5660 -161975.6628 -109663.9121 299.0730 -69.0036 -45.6521 760646.4478 -7.0168 -7.2574 PRESSURE: 4769000 206.68 -139.888 -138.335 -139.889 -124.622 -32.3375 -138.336 -32.3371 -250.621 GPRESSURE: 4769000 179.69 -164.782 -178.714 -131.141 -67.3553 -67.7746 -23.3051 -35.6197 -191.697 PRESSAVG: 4769000 50.9167 -32.2682 -82.7723 -32.2682 3.01807 29.4995 -82.7723 29.4995 21.0218 GPRESSAVG: 4769000 48.95 -31.8615 -83.5079 -33.1673 4.72355 28.3552 -81.8088 30.9266 22.0281 TIMING: 4769000 CPU: 15378.2, 0.00311768/step Wall: 15378.2, 0.00311768/step, 0.200051 hours remaining, 235.269531 MB of memory in use. ENERGY: 4769000 4008.5296 20351.3232 14412.9740 235.8923 -203965.8452 2689.1029 0.0000 0.0000 52114.3168 -110153.7064 299.5017 -162268.0232 -109800.4171 298.7944 -56.1879 -26.4540 759332.9104 24.9855 25.2339 PRESSURE: 4769200 -188.919 -39.8766 314.052 -39.877 -87.6029 29.0388 314.052 29.0379 -257.001 GPRESSURE: 4769200 -105.494 -61.1314 358.028 -111.452 -158.642 -23.3384 274.252 -25.9771 -193.486 PRESSAVG: 4769200 62.1988 -11.6606 -47.0213 -11.6606 -35.9036 14.9005 -47.0213 14.9005 16.8432 GPRESSAVG: 4769200 64.0783 -14.1497 -46.3652 -7.39406 -36.2482 15.806 -48.0451 12.9595 14.7044 TIMING: 4769200 CPU: 15378.9, 0.00314679/step Wall: 15378.9, 0.00314679/step, 0.201744 hours remaining, 235.269531 MB of memory in use. ENERGY: 4769200 3947.7278 20423.4897 14464.0772 248.6148 -203385.2331 2484.3911 0.0000 0.0000 51657.8100 -110159.1225 296.8781 -161816.9326 -109804.2493 298.1713 -177.8409 -152.5406 761511.3902 14.3795 14.1781 PRESSURE: 4769400 -376.86 -139.421 66.8143 -139.422 -72.008 198.952 66.8146 198.953 -202.666 GPRESSURE: 4769400 -305.867 -108.42 -9.78382 -160.56 -45.3949 192.278 21.8546 262.124 -204.247 PRESSAVG: 4769400 -3.97529 -11.7731 39.003 -11.7731 -48.8556 35.6153 39.0029 35.6153 -14.8659 GPRESSAVG: 4769400 -4.28182 -11.3907 37.5044 -13.5206 -49.2766 36.2139 39.0432 36.7422 -14.4137 TIMING: 4769400 CPU: 15379.5, 0.00311602/step Wall: 15379.5, 0.00311602/step, 0.199598 hours remaining, 235.269531 MB of memory in use. ENERGY: 4769400 4020.6119 20347.5587 14454.5949 234.3379 -203302.8826 2470.8178 0.0000 0.0000 51824.3323 -109950.6292 297.8351 -161774.9615 -109591.2064 298.4218 -217.1781 -185.1698 761006.6199 -22.5656 -22.6574 PRESSURE: 4769600 -222.619 -99.5714 147.505 -99.5712 -370.402 -242.002 147.506 -242.002 -48.2521 GPRESSURE: 4769600 -258.5 -229.642 199.085 -207.09 -275.347 -276.935 173.14 -243.587 -27.4319 PRESSAVG: 4769600 -25.6008 -34.8741 -4.93417 -34.8741 68.6405 4.14484 -4.93414 4.14484 -4.27456 GPRESSAVG: 4769600 -24.1064 -34.6321 -5.6778 -36.5974 67.0645 4.40321 -4.33032 3.78325 -4.11775 TIMING: 4769600 CPU: 15380.1, 0.00312509/step Wall: 15380.1, 0.00312509/step, 0.200006 hours remaining, 235.269531 MB of memory in use. ENERGY: 4769600 3885.2621 20421.2128 14410.4254 237.8581 -202948.5318 2154.9370 0.0000 0.0000 51871.0968 -109967.7396 298.1039 -161838.8364 -109611.8012 298.6301 -213.7578 -187.0930 760824.1380 12.9217 12.9468 PRESSURE: 4769800 -116.619 55.903 160.674 55.9029 294.118 229.285 160.674 229.284 220.385 GPRESSURE: 4769800 -129.794 83.1814 141.07 29.8887 268.819 256.4 233.18 226.361 315.688 PRESSAVG: 4769800 -51.9923 -19.3111 3.49387 -19.3112 56.8449 53.6801 3.49384 53.6801 -10.018 GPRESSAVG: 4769800 -53.1312 -19.2875 5.00867 -20.0506 57.9324 53.654 3.61048 55.5294 -10.3637 TIMING: 4769800 CPU: 15380.7, 0.00312153/step Wall: 15380.7, 0.00312153/step, 0.199604 hours remaining, 235.269531 MB of memory in use. ENERGY: 4769800 3877.6692 20348.6777 14388.4880 239.0308 -203613.5111 2367.2711 0.0000 0.0000 52268.7879 -110123.5864 300.3894 -162392.3743 -109749.4690 298.1824 132.6280 151.5709 759828.9831 -1.7218 -1.8542 PRESSURE: 4770000 -315.131 -40.0072 296.91 -40.0074 -209.135 43.2219 296.911 43.2227 97.098 GPRESSURE: 4770000 -331.691 -184.129 275.197 -11.856 -5.09246 116.617 201.069 33.8623 13.9314 PRESSAVG: 4770000 -20.4469 -64.0122 51.479 -64.0123 47.2634 19.7575 51.479 19.7575 5.01341 GPRESSAVG: 4770000 -20.4155 -64.1001 52.5488 -63.9183 47.058 19.8772 49.8187 16.7672 5.27736 TIMING: 4770000 CPU: 15381.3, 0.00312819/step Wall: 15381.3, 0.00312819/step, 0.199857 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 4033.8725 20362.0900 14446.1863 261.6606 -203368.8939 2421.5533 0.0000 0.0000 52114.7201 -109728.8110 299.5040 -161843.5311 -109367.7663 298.6493 -142.3895 -107.6174 759271.5532 10.6100 10.6400 PRESSURE: 4770200 -389.785 -28.977 -16.6346 -28.9769 -31.7774 -150.575 -16.6343 -150.575 -447.204 GPRESSURE: 4770200 -362.432 -142.507 -80.789 -46.6798 83.5762 -96.3122 11.5216 -202.646 -481.36 PRESSAVG: 4770200 13.8866 -4.01318 -21.6424 -4.01316 -7.08063 -0.369513 -21.6424 -0.369528 1.57638 GPRESSAVG: 4770200 13.2283 -0.872007 -22.2774 -2.80268 -5.49059 -1.06238 -20.7246 0.598278 0.627489 TIMING: 4770200 CPU: 15382, 0.00312509/step Wall: 15382, 0.00312509/step, 0.199485 hours remaining, 235.269531 MB of memory in use. ENERGY: 4770200 3989.5880 20477.4316 14540.2700 240.2672 -203015.9581 2097.7310 0.0000 0.0000 51964.8744 -109705.7960 298.6428 -161670.6703 -109333.2851 299.3946 -289.5890 -253.4054 761811.4881 2.7941 2.7884 PRESSURE: 4770400 158.585 17.428 120.613 17.4269 -107.188 -115.01 120.613 -115.01 56.6627 GPRESSURE: 4770400 181.53 -120.765 118.79 -20.4712 -110.369 -108.22 -18.7 -100.842 131.787 PRESSAVG: 4770400 27.4786 12.9946 -8.40799 12.9945 6.39025 -10.4143 -8.40805 -10.4143 5.69399 GPRESSAVG: 4770400 27.8564 11.5894 -8.25152 11.4572 4.63191 -11.6297 -9.6306 -8.75055 6.93562 TIMING: 4770400 CPU: 15382.6, 0.00311197/step Wall: 15382.6, 0.00311197/step, 0.198475 hours remaining, 235.269531 MB of memory in use. ENERGY: 4770400 3885.6648 20530.0824 14497.4666 245.0684 -203488.4922 2475.6752 0.0000 0.0000 51955.0123 -109899.5225 298.5862 -161854.5348 -109539.7937 298.5402 36.0196 67.6491 760570.3167 13.1876 13.1413 PRESSURE: 4770600 -220.329 31.191 203.172 31.1915 21.0643 103.202 203.171 103.201 -27.3595 GPRESSURE: 4770600 -280.863 2.57632 300.531 59.9093 156.739 138.846 165.754 122.49 -21.5951 PRESSAVG: 4770600 8.35085 -10.0477 19.6758 -10.0477 16.5621 -11.5489 19.6759 -11.5489 12.1178 GPRESSAVG: 4770600 8.27285 -9.15151 18.8737 -8.20842 17.0909 -10.4155 21.587 -13.02 11.5714 TIMING: 4770600 CPU: 15383.2, 0.00315602/step Wall: 15383.2, 0.00315602/step, 0.201109 hours remaining, 235.269531 MB of memory in use. ENERGY: 4770600 3939.0562 20432.2792 14327.2743 246.9261 -202991.1646 2171.4390 0.0000 0.0000 52018.1242 -109856.0656 298.9489 -161874.1898 -109497.6295 298.5045 -75.5414 -48.5731 761622.7974 12.3436 12.3117 PRESSURE: 4770800 122.79 179.965 161.964 179.964 -10.3959 -286.21 161.964 -286.21 -221.941 GPRESSURE: 4770800 137.064 220.431 165.471 52.5516 -26.1191 -176.475 165.772 -249.546 -127.205 PRESSAVG: 4770800 -22.4394 24.0772 -14.1905 24.0772 7.01713 49.9665 -14.1906 49.9665 -18.8917 GPRESSAVG: 4770800 -23.2363 22.4 -14.9706 22.1992 6.42488 49.5975 -13.114 51.0418 -17.3071 TIMING: 4770800 CPU: 15383.9, 0.00313552/step Wall: 15383.9, 0.00313552/step, 0.199628 hours remaining, 235.269531 MB of memory in use. ENERGY: 4770800 4040.9546 20586.4334 14443.8504 245.4269 -203780.9579 2762.2928 0.0000 0.0000 51787.7119 -109914.2879 297.6247 -161701.9998 -109551.7574 298.2492 -36.5156 -5.4199 760831.9279 -11.4380 -11.3728 PRESSURE: 4771000 292.626 -99.0547 134.859 -99.0545 86.2892 -45.8645 134.859 -45.8639 807.808 GPRESSURE: 4771000 375.146 -47.2811 234.642 -147.915 215.175 -74.086 81.8999 92.7585 701.387 PRESSAVG: 4771000 10.6993 21.9958 16.5926 21.9958 9.65974 53.2637 16.5926 53.2637 14.4293 GPRESSAVG: 4771000 11.8004 22.89 17.8708 23.2611 10.086 52.4848 14.7152 53.7252 12.6449 TIMING: 4771000 CPU: 15384.5, 0.00314552/step Wall: 15384.5, 0.00314553/step, 0.20009 hours remaining, 235.269531 MB of memory in use. ENERGY: 4771000 3969.2351 20384.4356 14464.3008 265.1809 -203635.5454 2552.3786 0.0000 0.0000 52132.1540 -109867.8604 299.6042 -162000.0144 -109507.4883 297.9562 395.5741 430.5692 759233.5313 11.5961 11.5104 PRESSURE: 4771200 54.958 -43.1075 49.0506 -43.108 -232.561 -75.1691 49.051 -75.1694 76.6699 GPRESSURE: 4771200 115.12 -13.6184 -73.9823 -101.799 -161.218 -107.817 56.9939 -64.5898 42.7402 PRESSAVG: 4771200 -6.39832 12.203 39.8282 12.203 -9.81796 110.198 39.8283 110.198 -22.6662 GPRESSAVG: 4771200 -6.04431 10.9935 39.0036 13.0427 -9.56051 110.829 40.2753 108.448 -23.0203 TIMING: 4771200 CPU: 15385.1, 0.00312428/step Wall: 15385.1, 0.00312428/step, 0.198565 hours remaining, 235.269531 MB of memory in use. ENERGY: 4771200 3945.2615 20462.0413 14416.2079 233.6987 -203200.9114 2423.8884 0.0000 0.0000 51833.1915 -109886.6220 297.8861 -161719.8135 -109521.3377 298.5529 -33.6444 -1.1194 759794.9699 -12.9608 -12.8750 PRESSURE: 4771400 224.203 43.9721 -16.2313 43.9718 -149.315 -5.53597 -16.2314 -5.53738 33.9702 GPRESSURE: 4771400 265.158 -109.352 -51.2239 -2.37557 -37.278 12.5174 37.0911 -126.613 -25.5619 PRESSAVG: 4771400 30.1416 -24.0773 60.963 -24.0772 1.36815 48.3247 60.963 48.3247 6.3275 GPRESSAVG: 4771400 30.097 -25.4245 60.9954 -24.1511 1.10551 47.8476 61.5062 49.1129 7.53566 TIMING: 4771400 CPU: 15385.7, 0.00311336/step Wall: 15385.7, 0.00311336/step, 0.197698 hours remaining, 235.269531 MB of memory in use. ENERGY: 4771400 3930.6994 20503.8409 14475.0457 231.7702 -203234.0717 2388.0442 0.0000 0.0000 52042.2547 -109662.4166 299.0876 -161704.6713 -109298.8186 298.6212 36.2864 67.4394 759251.3174 12.6124 12.9127 PRESSURE: 4771600 -156.759 -273.27 303.151 -273.27 -262.085 43.2728 303.151 43.2716 -273.791 GPRESSURE: 4771600 -115.196 -255.316 241.381 -205.214 -211.375 53.1912 237.876 -38.1518 -262.129 PRESSAVG: 4771600 14.04 -33.8938 -10.2065 -33.8937 22.4833 -22.8275 -10.2065 -22.8275 5.23923 GPRESSAVG: 4771600 13.3167 -33.6015 -11.0881 -32.5633 23.9217 -22.18 -9.86424 -22.2305 4.5223 TIMING: 4771600 CPU: 15386.4, 0.00311347/step Wall: 15386.4, 0.00311347/step, 0.197533 hours remaining, 235.269531 MB of memory in use. ENERGY: 4771600 4032.8001 20398.9575 14468.2586 246.1406 -202911.6426 1970.8214 0.0000 0.0000 52097.8413 -109696.8231 299.4070 -161794.6644 -109341.7269 298.9520 -230.8782 -196.2334 760201.4144 13.9208 13.9202 PRESSURE: 4771800 309.071 -29.1617 -100.862 -29.1611 -64.6442 37.8358 -100.862 37.8352 43.309 GPRESSURE: 4771800 383.502 -30.7419 -85.6636 -38.3355 -23.7495 -80.7425 19.9163 121.426 6.48839 PRESSAVG: 4771800 36.9622 -51.0177 -27.6753 -51.0176 -62.3785 20.1383 -27.6753 20.1383 -2.35713 GPRESSAVG: 4771800 37.6996 -48.306 -27.3235 -51.2462 -63.3922 19.7676 -26.983 20.9176 -2.09271 TIMING: 4771800 CPU: 15387, 0.00312225/step Wall: 15387, 0.00312225/step, 0.197916 hours remaining, 235.269531 MB of memory in use. ENERGY: 4771800 3899.7110 20332.5892 14535.4717 259.2630 -203589.6037 2747.0133 0.0000 0.0000 52165.8018 -109649.7537 299.7976 -161815.5554 -109286.3153 299.2731 95.9119 122.0804 760501.2154 -9.2578 -9.2618 PRESSURE: 4772000 209.223 -97.6088 56.3378 -97.6092 -318.361 221.251 56.3372 221.25 438.922 GPRESSURE: 4772000 200.005 -33.6751 10.573 -38.1831 -230.625 201.905 -2.55987 241.76 437.213 PRESSAVG: 4772000 35.1785 -45.2697 25.5932 -45.2697 -28.5243 -3.79067 25.5932 -3.79056 -8.44368 GPRESSAVG: 4772000 34.6485 -45.9713 26.5906 -47.8218 -27.7935 -4.78014 22.6128 -5.12562 -9.01813 TIMING: 4772000 CPU: 15387.6, 0.00310583/step Wall: 15387.6, 0.00310583/step, 0.196702 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 4000.4563 20412.2396 14402.5449 258.6787 -203118.2882 2471.0859 0.0000 0.0000 51898.9136 -109674.3691 298.2638 -161573.2827 -109321.2057 298.9531 109.9279 135.5311 759765.1428 -0.5965 -0.7210 PRESSURE: 4772200 201.648 -148.902 468.374 -148.902 -39.2852 -21.553 468.374 -21.5527 -199.468 GPRESSURE: 4772200 249.45 -95.306 465.516 -75.6243 -36.8692 8.45831 486.062 42.6026 -159.596 PRESSAVG: 4772200 -24.4555 -78.9118 46.4749 -78.9118 -15.3381 16.1508 46.4749 16.1508 -9.26627 GPRESSAVG: 4772200 -23.7358 -80.7313 44.9998 -77.5769 -16.8825 17.2197 46.8203 16.6056 -8.18984 TIMING: 4772200 CPU: 15388.2, 0.00310413/step Wall: 15388.2, 0.00310413/step, 0.196423 hours remaining, 235.269531 MB of memory in use. ENERGY: 4772200 3941.0464 20362.3853 14481.6878 243.3670 -203161.5678 2591.7440 0.0000 0.0000 51835.2137 -109706.1235 297.8977 -161541.3372 -109344.6611 298.9293 -12.3682 17.6616 761168.0491 -16.3533 -16.2694 LDB: ============= START OF LOAD BALANCING ============== 15400.6 LDB: ============== END OF LOAD BALANCING =============== 15400.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15400.6 LDB: ============= START OF LOAD BALANCING ============== 15401 LDB: Largest compute 7037 load 0.030308 is 15.5% of average load 0.195720 LDB: Average compute 0.004354 is 2.2% of average load 0.195720 LDB: TIME 15401 LOAD: AVG 0.19572 MAX 0.219832 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.93 MB LDB: TIME 15401 LOAD: AVG 0.19572 MAX 0.219832 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 15401 LOAD: AVG 0.19572 MAX 0.213734 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 15401 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15401 PRESSURE: 4772400 61.7461 -95.743 164.335 -95.7428 139.074 -242.86 164.334 -242.86 273.381 GPRESSURE: 4772400 168.16 45.5377 185.216 -77.739 113.866 -307.439 66.7651 -154.599 302.781 PRESSAVG: 4772400 44.8036 -65.4137 27.9043 -65.4137 -21.5288 11.3857 27.9042 11.3858 13.7472 GPRESSAVG: 4772400 44.8462 -65.0789 28.5305 -64.5215 -21.4235 11.6443 28.7968 10.3823 13.7349 TIMING: 4772400 CPU: 15388.9, 0.00320117/step Wall: 15388.9, 0.00320117/step, 0.202385 hours remaining, 235.644531 MB of memory in use. ENERGY: 4772400 4003.1717 20448.1510 14495.3399 238.7818 -203272.4787 2568.6310 0.0000 0.0000 51849.9501 -109668.4530 297.9824 -161518.4031 -109305.7666 298.3959 158.0668 194.9357 760710.4982 12.3407 12.3859 PRESSURE: 4772600 261.305 -128.083 -79.1627 -128.082 60.2789 -262.906 -79.1629 -262.906 -122.563 GPRESSURE: 4772600 315.777 4.46807 -135.644 -86.4608 88.4262 -154.196 -84.8429 -282.037 -99.6995 PRESSAVG: 4772600 45.0493 -46.9207 26.5608 -46.9206 -51.9038 7.2044 26.5608 7.20442 -11.9522 GPRESSAVG: 4772600 45.6024 -46.6076 26.8986 -47.3111 -51.6702 6.54862 25.4182 9.07524 -12.4765 TIMING: 4772600 CPU: 15389.5, 0.0031206/step Wall: 15389.5, 0.0031206/step, 0.197118 hours remaining, 236.046875 MB of memory in use. ENERGY: 4772600 3951.1591 20555.3264 14441.1633 244.3556 -203958.4320 2868.2897 0.0000 0.0000 52092.2447 -109805.8932 299.3748 -161898.1380 -109456.3952 298.2401 66.3402 101.5012 760393.4620 -6.2689 -6.1814 PRESSURE: 4772800 22.5251 205.002 160.075 205.002 -268.498 369.472 160.074 369.472 162.939 GPRESSURE: 4772800 56.8304 251.228 157.285 174.025 -158.749 266.104 217.479 248.73 101.784 PRESSAVG: 4772800 12.4592 10.7624 -8.79676 10.7624 -52.2906 17.5505 -8.79674 17.5505 0.769256 GPRESSAVG: 4772800 13.0387 9.23894 -8.04211 11.6276 -51.5069 17.5355 -9.10669 16.5368 -0.532598 TIMING: 4772800 CPU: 15390.1, 0.00312275/step Wall: 15390.1, 0.00312275/step, 0.19708 hours remaining, 236.046875 MB of memory in use. ENERGY: 4772800 3925.6637 20513.3430 14423.2851 229.3212 -203120.3368 2467.1048 0.0000 0.0000 51676.0576 -109885.5613 296.9830 -161561.6189 -109522.4956 298.0132 -27.6780 -0.0449 762459.4849 -13.0207 -13.0003 PRESSURE: 4773000 130.692 -55.9979 87.3845 -55.9978 -203.298 -90.7429 87.3856 -90.7439 -188.396 GPRESSURE: 4773000 86.2542 6.33051 189.602 -105.695 -70.9364 -26.8789 56.0966 15.9776 -189.33 PRESSAVG: 4773000 27.6246 -5.07904 34.5209 -5.07911 -7.12215 12.5847 34.5209 12.5847 15.1014 GPRESSAVG: 4773000 26.4159 -2.97268 32.6762 -8.66601 -6.55768 12.6234 36.6405 11.5884 15.5774 TIMING: 4773000 CPU: 15390.7, 0.00312721/step Wall: 15390.7, 0.00312721/step, 0.197188 hours remaining, 236.046875 MB of memory in use. ENERGY: 4773000 3907.3555 20553.6929 14432.1221 232.8956 -203434.2395 2540.9627 0.0000 0.0000 52248.7113 -109518.4994 300.2741 -161767.2108 -109163.3189 298.3498 -87.0007 -58.0040 760927.4277 11.8680 11.8119 PRESSURE: 4773200 -131.567 -186.305 168.793 -186.305 -228.703 -150.97 168.793 -150.97 224.959 GPRESSURE: 4773200 -80.7402 -190.763 104.794 -201.205 -202.007 -182.823 146.074 -240.552 212.688 PRESSAVG: 4773200 -12.8121 -52.757 51.3077 -52.757 6.76379 -2.85671 51.3077 -2.85675 -7.30727 GPRESSAVG: 4773200 -12.0888 -53.4522 52.5499 -51.5532 6.37107 -4.21325 49.3537 -1.74884 -7.30602 TIMING: 4773200 CPU: 15391.4, 0.00311645/step Wall: 15391.4, 0.00311645/step, 0.196336 hours remaining, 236.046875 MB of memory in use. ENERGY: 4773200 3938.0943 20494.9698 14399.7765 240.6995 -202729.8245 2162.1259 0.0000 0.0000 51861.0257 -109633.1328 298.0460 -161494.1585 -109266.0723 298.8302 -45.1034 -23.3528 761107.4657 -4.4518 -4.3412 PRESSURE: 4773400 247.76 7.63082 -57.1493 7.63146 -114.058 117.417 -57.1495 117.417 264.937 GPRESSURE: 4773400 321.653 -55.052 -86.2574 -54.3779 -54.5824 123.542 12.9816 151.833 221.014 PRESSAVG: 4773400 0.493385 -28.397 34.59 -28.397 2.57305 24.9323 34.59 24.9323 -14.5892 GPRESSAVG: 4773400 0.975021 -28.9443 35.2598 -27.6889 1.93934 25.4425 35.9152 26.0263 -14.3696 TIMING: 4773400 CPU: 15392, 0.00311506/step Wall: 15392, 0.00311506/step, 0.196076 hours remaining, 236.125000 MB of memory in use. ENERGY: 4773400 3982.7104 20524.7552 14414.3859 242.9446 -203132.5230 2528.4569 0.0000 0.0000 52032.0038 -109407.2662 299.0286 -161439.2700 -109043.6562 298.8769 132.8796 162.6947 758183.7214 -3.8409 -3.8184 PRESSURE: 4773600 -166.662 -54.3599 68.5737 -54.3599 -138.804 142.758 68.574 142.758 -203.848 GPRESSURE: 4773600 -252.203 55.1512 38.1228 -180.793 -14.9068 152.376 103.753 65.3132 -163.745 PRESSAVG: 4773600 17.9742 -19.4573 -4.55305 -19.4572 6.85212 41.7482 -4.55306 41.7483 -5.33888 GPRESSAVG: 4773600 18.7302 -17.1061 -5.16092 -20.3129 6.04103 42.6626 -4.73568 39.7816 -5.50596 TIMING: 4773600 CPU: 15392.6, 0.0031304/step Wall: 15392.6, 0.0031304/step, 0.196867 hours remaining, 236.125000 MB of memory in use. ENERGY: 4773600 3931.6770 20444.0214 14421.6059 243.0773 -202876.4463 2311.5172 0.0000 0.0000 52302.0593 -109222.4883 300.5807 -161524.5476 -108856.9042 300.0785 -169.7711 -143.6184 760297.9100 6.4958 6.4218 PRESSURE: 4773800 80.4657 -144.121 -154.939 -144.121 -4.11633 119.796 -154.939 119.796 -21.6878 GPRESSURE: 4773800 170.088 -211.101 -16.4353 -12.8535 1.39556 137.051 -107.973 207.543 -24.0107 PRESSAVG: 4773800 36.7534 -16.8819 -14.8745 -16.8818 -13.3611 43.0536 -14.8745 43.0536 -10.4571 GPRESSAVG: 4773800 34.243 -18.4842 -14.8568 -16.4014 -11.3616 42.7198 -16.4585 42.5935 -9.67165 TIMING: 4773800 CPU: 15393.2, 0.00312819/step Wall: 15393.2, 0.00312819/step, 0.196555 hours remaining, 236.125000 MB of memory in use. ENERGY: 4773800 3966.2481 20502.3943 14351.6219 237.4000 -202903.1663 2274.0454 0.0000 0.0000 52288.4057 -109283.0509 300.5022 -161571.4566 -108916.7582 300.1939 18.2205 49.1576 759094.4778 4.3117 4.4033 PRESSURE: 4774000 37.9142 41.8179 0.916416 41.8176 -28.1665 -121.25 0.915983 -121.25 184.118 GPRESSURE: 4774000 101.744 50.6953 0.635367 2.41687 42.5209 -168.45 130.113 -58.4502 136.815 PRESSAVG: 4774000 48.9766 3.75019 -31.0734 3.75021 -55.9104 15.1453 -31.0735 15.1452 4.17166 GPRESSAVG: 4774000 50.6857 3.64321 -30.3723 4.71067 -56.6901 14.3735 -27.289 16.1266 3.7872 TIMING: 4774000 CPU: 15393.9, 0.00310805/step Wall: 15393.9, 0.00310805/step, 0.195117 hours remaining, 236.125000 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: 4774000 3973.9555 20645.7868 14456.1046 253.5965 -203373.5103 2504.7491 0.0000 0.0000 52360.3754 -109178.9426 300.9158 -161539.3179 -108820.3047 300.0770 64.6218 93.6931 759037.4121 -0.9207 -0.7391 PRESSURE: 4774200 -2.36399 13.2588 -11.5615 13.2575 -475.006 -173.051 -11.5623 -173.052 484.051 GPRESSURE: 4774200 112.406 82.3185 19.1815 25.0627 -441.593 -146.506 -95.9586 -168.347 424.269 PRESSAVG: 4774200 17.6786 -33.0967 9.9402 -33.0967 -16.9532 -16.7022 9.9402 -16.7022 5.04208 GPRESSAVG: 4774200 18.2396 -33.8574 8.92782 -30.7114 -16.809 -17.3632 6.59475 -16.169 4.63744 TIMING: 4774200 CPU: 15394.5, 0.003132/step Wall: 15394.5, 0.003132/step, 0.196446 hours remaining, 236.125000 MB of memory in use. ENERGY: 4774200 3957.2355 20547.0589 14427.2083 262.2162 -203374.0705 2406.7034 0.0000 0.0000 52429.4472 -109344.2009 301.3128 -161773.6481 -108980.7117 300.5613 2.2270 31.6941 759941.0647 1.9225 2.0227 PRESSURE: 4774400 -206.447 14.5609 -154.344 14.5604 189.952 -67.4307 -154.344 -67.4305 -94.8081 GPRESSURE: 4774400 -123.414 -28.9013 -74.7872 80.8124 227.855 -20.6133 17.8578 25.5094 -128.467 PRESSAVG: 4774400 9.14527 -6.81055 22.6493 -6.81064 9.62936 -26.8517 22.6493 -26.8517 9.29052 GPRESSAVG: 4774400 9.57701 -6.38569 23.6716 -8.51351 8.56113 -25.1497 23.0568 -26.6488 9.49023 TIMING: 4774400 CPU: 15395.1, 0.00311396/step Wall: 15395.1, 0.00311396/step, 0.195141 hours remaining, 236.125000 MB of memory in use. ENERGY: 4774400 3964.0300 20524.3343 14398.4662 227.1151 -203311.8681 2395.8003 0.0000 0.0000 52259.5590 -109542.5632 300.3364 -161802.1222 -109177.1799 299.9174 -37.1011 -8.0086 759789.3499 9.3550 9.2095 PRESSURE: 4774600 257.862 -295.701 26.2399 -295.702 -273.047 100.582 26.2402 100.582 -276.174 GPRESSURE: 4774600 286.342 -171.261 -8.15959 -384.031 -185.927 69.8911 0.829329 67.784 -300.651 PRESSAVG: 4774600 20.2249 -59.4705 6.58551 -59.4705 23.4293 10.7433 6.58548 10.7433 -1.02184 GPRESSAVG: 4774600 19.5523 -59.9688 5.59058 -59.5296 24.6003 10.6273 6.79693 8.38463 -1.1198 TIMING: 4774600 CPU: 15395.7, 0.00313732/step Wall: 15395.7, 0.00313732/step, 0.196431 hours remaining, 236.125000 MB of memory in use. ENERGY: 4774600 3974.3433 20427.3451 14465.7652 253.5962 -203320.9699 2251.5483 0.0000 0.0000 52289.7275 -109658.6442 300.5098 -161948.3717 -109294.4425 299.9176 -97.1197 -66.7454 758948.8374 14.2108 14.3443 PRESSURE: 4774800 40.8854 19.6034 -194.712 19.6033 335.229 -205.269 -194.713 -205.27 -106.615 GPRESSURE: 4774800 81.2095 -50.229 -175.296 60.7371 355.574 -48.8702 -81.7949 -126.962 -90.94 PRESSAVG: 4774800 0.602258 26.9384 -3.56626 26.9384 27.8713 45.1473 -3.56628 45.1474 41.6797 GPRESSAVG: 4774800 -0.998548 25.2066 -2.77557 25.3497 28.4459 45.4098 -3.07446 46.8164 42.5144 TIMING: 4774800 CPU: 15396.4, 0.00313523/step Wall: 15396.4, 0.00313522/step, 0.196126 hours remaining, 236.125000 MB of memory in use. ENERGY: 4774800 4009.6568 20504.1087 14555.6841 255.7264 -204068.9348 2760.1220 0.0000 0.0000 52286.3693 -109697.2675 300.4905 -161983.6368 -109332.6600 299.8029 89.8333 115.2811 757793.7201 23.3844 23.3206 PRESSURE: 4775000 -93.4541 47.2857 101.326 47.2858 -146.166 121.634 101.327 121.635 477.534 GPRESSURE: 4775000 -44.7825 -0.463849 134.164 60.9206 -155.85 89.5872 150.573 123.883 515.794 PRESSAVG: 4775000 -21.186 -67.2849 18.4512 -67.2849 28.0235 -15.0463 18.4511 -15.0463 -6.30677 GPRESSAVG: 4775000 -20.0051 -65.8511 18.9809 -66.5829 27.5303 -16.2571 17.0088 -14.91 -6.65649 TIMING: 4775000 CPU: 15397, 0.00316241/step Wall: 15397, 0.00316241/step, 0.197651 hours remaining, 236.125000 MB of memory in use. ENERGY: 4775000 3944.4414 20459.1251 14443.6147 232.2300 -203246.7135 2256.0961 0.0000 0.0000 52173.4743 -109737.7319 299.8417 -161911.2062 -109381.1823 299.0755 79.3046 105.0539 761030.1320 0.1769 0.2896 PRESSURE: 4775200 78.2593 -158.638 -61.3422 -158.638 -287.351 -51.1112 -61.3432 -51.1112 128.747 GPRESSURE: 4775200 50.2238 -146.249 -78.139 -118.974 -153.184 76.6566 -12.721 -88.2425 118.004 PRESSAVG: 4775200 20.6494 -20.6786 -19.9343 -20.6787 -36.4832 -48.2546 -19.9343 -48.2547 -22.283 GPRESSAVG: 4775200 20.316 -19.9018 -20.2614 -20.6108 -35.6411 -47.9548 -18.9612 -48.265 -23.2236 TIMING: 4775200 CPU: 15397.6, 0.00312392/step Wall: 15397.6, 0.00312392/step, 0.195071 hours remaining, 236.125000 MB of memory in use. ENERGY: 4775200 4003.1251 20491.5251 14381.2600 246.6063 -203760.5539 2723.2962 0.0000 0.0000 52343.7761 -109570.9651 300.8204 -161914.7412 -109203.5563 299.4410 -26.7816 5.0144 760904.4794 -12.7056 -12.8496 PRESSURE: 4775400 -10.2378 172.795 117.098 172.794 -289.456 108.039 117.098 108.04 217.344 GPRESSURE: 4775400 -66.1108 126.353 225.854 115.41 -174.042 17.3337 104.145 76.3346 241.889 PRESSAVG: 4775400 -28.0148 -11.125 38.788 -11.125 33.7616 17.3135 38.788 17.3136 -1.44706 GPRESSAVG: 4775400 -26.9987 -13.148 38.9868 -10.5448 32.4481 18.7474 37.6392 15.6215 -1.22432 TIMING: 4775400 CPU: 15398.2, 0.00313471/step Wall: 15398.2, 0.00313471/step, 0.195571 hours remaining, 236.125000 MB of memory in use. ENERGY: 4775400 4105.1549 20676.2572 14405.6123 246.2063 -203590.3982 2655.8201 0.0000 0.0000 51786.5668 -109714.7806 297.6181 -161501.3474 -109353.2742 299.2650 -27.4501 0.5785 760295.7533 1.4332 1.4084 PRESSURE: 4775600 -209.03 -160.836 -62.284 -160.836 58.6483 3.772 -62.2839 3.77041 -45.9816 GPRESSURE: 4775600 -117.658 -130.773 -120.382 -160.623 120.761 21.0607 -93.1053 10.7081 -107.763 PRESSAVG: 4775600 38.3023 28.1105 16.6643 28.1106 33.7795 -47.8916 16.6644 -47.8917 -4.18145 GPRESSAVG: 4775600 37.3683 29.5252 16.4082 27.6361 34.5983 -49.2356 17.6314 -46.2241 -4.50118 TIMING: 4775600 CPU: 15398.9, 0.00314057/step Wall: 15398.9, 0.00314057/step, 0.195762 hours remaining, 236.125000 MB of memory in use. ENERGY: 4775600 4010.9884 20642.7785 14380.1896 243.3039 -203344.7028 2432.6018 0.0000 0.0000 52008.9048 -109625.9357 298.8959 -161634.8406 -109256.8575 299.2049 -65.4545 -34.8867 760109.5856 22.6335 22.4885 PRESSURE: 4775800 -124.047 -220.38 342.367 -220.38 137.689 -5.68784 342.367 -5.68668 198.813 GPRESSURE: 4775800 -31.8918 -248.907 345.804 -94.1098 130.316 -4.95793 403.367 -24.4964 198.519 PRESSAVG: 4775800 7.63097 -23.9984 -9.03193 -23.9985 -12.4519 -33.1155 -9.03192 -33.1155 9.39615 GPRESSAVG: 4775800 7.77386 -23.3396 -10.8759 -24.524 -13.3321 -30.5482 -7.71184 -34.6187 10.0325 TIMING: 4775800 CPU: 15399.5, 0.00316551/step Wall: 15399.5, 0.00316551/step, 0.197141 hours remaining, 236.125000 MB of memory in use. ENERGY: 4775800 3985.2838 20705.9818 14452.8637 256.5167 -203803.9521 2889.4793 0.0000 0.0000 51857.2150 -109656.6119 298.0241 -161513.8269 -109303.3686 298.9500 70.8185 98.9812 758745.2713 1.5251 1.4914 PRESSURE: 4776000 -123.541 82.7069 -21.9729 82.7081 -247.382 -18.1902 -21.9715 -18.1892 63.3432 GPRESSURE: 4776000 -126.666 93.517 47.6835 27.6333 -251.708 -36.232 -68.5028 -63.4028 155.493 PRESSAVG: 4776000 78.2113 -13.9647 -14.2779 -13.9647 -78.7304 -54.9955 -14.2779 -54.9955 0.592643 GPRESSAVG: 4776000 77.5236 -15.1396 -11.9024 -13.9889 -77.0791 -56.8872 -16.2421 -53.0704 0.192366 TIMING: 4776000 CPU: 15400.1, 0.00314408/step Wall: 15400.1, 0.00314408/step, 0.195631 hours remaining, 236.125000 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: 4776000 4044.1733 20651.4793 14505.4252 249.0141 -203215.3349 2264.0403 0.0000 0.0000 51729.5996 -109771.6032 297.2907 -161501.2028 -109418.2455 299.5329 -102.5266 -74.2935 758939.0803 0.0245 0.2123 PRESSURE: 4776200 202.015 -5.32477 143.925 -5.32521 26.1578 -82.1132 143.926 -82.1141 189.495 GPRESSURE: 4776200 322.577 17.7294 102.653 -0.973767 2.72486 -53.096 74.1247 -5.97924 183.199 PRESSAVG: 4776200 81.4654 16.649 -64.2526 16.649 -34.3919 -19.4045 -64.2527 -19.4046 -1.47323 GPRESSAVG: 4776200 82.2511 16.2588 -65.1514 17.3615 -35.6461 -19.0785 -65.2902 -20.5382 -1.072 TIMING: 4776200 CPU: 15400.8, 0.00313327/step Wall: 15400.8, 0.00313327/step, 0.194785 hours remaining, 236.125000 MB of memory in use. ENERGY: 4776200 3988.0303 20514.0331 14420.3256 232.5130 -203816.2315 2652.8509 0.0000 0.0000 51830.8089 -110177.6697 297.8724 -162008.4786 -109824.1499 298.6139 139.2225 169.5002 759661.7236 15.2001 15.1777 LDB: ============= START OF LOAD BALANCING ============== 15413.2 LDB: ============== END OF LOAD BALANCING =============== 15413.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15413.2 LDB: ============= START OF LOAD BALANCING ============== 15413.5 LDB: Largest compute 7037 load 0.031734 is 16.2% of average load 0.195614 LDB: Average compute 0.004365 is 2.2% of average load 0.195614 LDB: TIME 15413.5 LOAD: AVG 0.195614 MAX 0.213335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.438 MB LDB: TIME 15413.5 LOAD: AVG 0.195614 MAX 0.213335 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: TIME 15413.5 LOAD: AVG 0.195614 MAX 0.213335 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: ============== END OF LOAD BALANCING =============== 15413.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15413.5 PRESSURE: 4776400 129.34 245.024 81.0366 245.025 55.9558 0.445937 81.0364 0.445197 -416.895 GPRESSURE: 4776400 12.3167 293.173 126.964 230.179 192.132 -70.4721 135.863 33.2035 -354.441 PRESSAVG: 4776400 -19.0566 -20.7122 30.5112 -20.7122 6.48568 25.822 30.5112 25.822 14.248 GPRESSAVG: 4776400 -20.7445 -20.4368 31.0763 -19.9096 7.30593 25.2993 30.0315 27.2156 14.4032 TIMING: 4776400 CPU: 15401.4, 0.00320738/step Wall: 15401.4, 0.00320738/step, 0.199214 hours remaining, 235.003906 MB of memory in use. ENERGY: 4776400 3943.2734 20659.8927 14473.9413 237.3920 -203571.1905 2472.6713 0.0000 0.0000 51935.9347 -109848.0851 298.4765 -161784.0199 -109494.7519 298.4734 -77.1996 -49.9974 759940.3720 0.5590 0.3215 PRESSURE: 4776600 91.1447 74.9751 95.8655 74.9745 449.593 -155.305 95.8659 -155.305 388.469 GPRESSURE: 4776600 119.695 20.7564 13.0535 87.5865 455.909 -101.512 152.875 -42.8578 427.555 PRESSAVG: 4776600 -30.3687 -46.9931 -12.1578 -46.993 29.15 -56.5932 -12.1578 -56.5932 12.7767 GPRESSAVG: 4776600 -29.6871 -46.1144 -11.6269 -47.2929 28.8732 -57.3844 -9.94555 -56.3132 12.0009 TIMING: 4776600 CPU: 15402, 0.00316057/step Wall: 15402, 0.00316057/step, 0.196131 hours remaining, 235.261719 MB of memory in use. ENERGY: 4776600 3991.4038 20545.9933 14534.6750 241.6167 -203631.3072 2709.9536 0.0000 0.0000 51758.6188 -109849.0461 297.4575 -161607.6648 -109483.2758 298.2955 309.7355 334.3863 759564.3766 3.8527 3.7290 PRESSURE: 4776800 -63.5217 106.275 312.003 106.275 -283.655 -11.235 312.003 -11.2349 -387.086 GPRESSURE: 4776800 -135.475 29.2652 362.071 90.7588 -166.941 51.0853 161.404 -96.5969 -329.949 PRESSAVG: 4776800 14.9112 -51.3318 2.10776 -51.3318 -17.519 3.46922 2.10776 3.46921 -10.3229 GPRESSAVG: 4776800 15.333 -52.3143 2.24908 -49.3708 -16.7288 4.44269 2.1448 3.28173 -11.2132 TIMING: 4776800 CPU: 15402.7, 0.00314778/step Wall: 15402.7, 0.00314778/step, 0.195162 hours remaining, 235.261719 MB of memory in use. ENERGY: 4776800 4047.6034 20411.0584 14350.5405 256.6664 -203232.7780 2352.6948 0.0000 0.0000 52057.2780 -109756.9365 299.1739 -161814.2145 -109399.4880 298.9436 -244.7544 -210.7884 760601.6108 -4.3102 -4.2030 PRESSURE: 4777000 29.7441 100.466 98.4954 100.466 48.6318 -255.144 98.4954 -255.144 105.42 GPRESSURE: 4777000 146.583 11.1907 106.282 -29.3686 79.9848 -157.407 91.9949 -242.485 31.4285 PRESSAVG: 4777000 -55.4065 -12.1359 91.7267 -12.1359 73.5768 -19.3648 91.7266 -19.3648 -6.37119 GPRESSAVG: 4777000 -54.5304 -8.77113 90.1218 -15.8199 72.1423 -19.5134 92.0311 -19.0226 -5.9344 TIMING: 4777000 CPU: 15403.3, 0.00312781/step Wall: 15403.3, 0.00312781/step, 0.193751 hours remaining, 235.261719 MB of memory in use. ENERGY: 4777000 3972.7627 20409.1149 14427.5325 251.5833 -203504.0033 2479.3712 0.0000 0.0000 52110.6138 -109853.0249 299.4804 -161963.6387 -109480.8047 298.8185 61.2654 85.9990 758467.1947 3.9330 3.8925 PRESSURE: 4777200 113.178 -251.851 -168.987 -251.852 308.593 -189.9 -168.987 -189.9 106.209 GPRESSURE: 4777200 99.7634 -222.465 -209.441 -179.853 305.684 -225.418 -161.815 -145.289 224.795 PRESSAVG: 4777200 5.12543 -22.3759 19.9006 -22.3759 22.4825 -23.0035 19.9007 -23.0036 -3.62959 GPRESSAVG: 4777200 3.90686 -24.818 20.735 -21.6011 23.5281 -23.5621 20.2659 -21.9637 -3.65504 TIMING: 4777200 CPU: 15403.9, 0.00314626/step Wall: 15403.9, 0.00314626/step, 0.194719 hours remaining, 235.277344 MB of memory in use. ENERGY: 4777200 3967.4051 20332.3195 14483.4891 238.3627 -203336.4975 2389.6217 0.0000 0.0000 52156.2010 -109769.0983 299.7424 -161925.2993 -109403.1964 299.1936 175.9934 210.0808 759139.6096 7.9928 7.9266 PRESSURE: 4777400 -6.66089 141.017 9.35329 141.018 66.0351 -32.3133 9.35354 -32.3132 259.95 GPRESSURE: 4777400 114.071 191.732 -37.3323 146.651 118.886 -45.4366 14.0907 -19.3777 168.987 PRESSAVG: 4777400 -50.6022 -2.00209 6.45138 -2.00209 51.6888 36.3817 6.4514 36.3817 -3.82295 GPRESSAVG: 4777400 -49.4884 -0.166142 5.6599 -1.21341 50.5668 37.9331 6.91711 34.6172 -3.99239 TIMING: 4777400 CPU: 15404.5, 0.0031295/step Wall: 15404.5, 0.0031295/step, 0.193508 hours remaining, 235.277344 MB of memory in use. ENERGY: 4777400 3970.0602 20406.8183 14484.6388 262.1255 -203632.3818 2973.9583 0.0000 0.0000 51772.8166 -109761.9641 297.5391 -161534.7807 -109403.2468 298.7295 106.4414 133.9811 759795.1195 -0.9121 -0.9713 PRESSURE: 4777600 -232.801 80.971 77.6935 80.9717 -229.078 113.023 77.6931 113.022 363.977 GPRESSURE: 4777600 -199.846 36.2131 70.0612 85.8917 -150.788 44.3457 89.3262 156.112 349.678 PRESSAVG: 4777600 18.2218 -23.8312 74.4744 -23.8312 10.6497 -4.10031 74.4745 -4.10029 8.05464 GPRESSAVG: 4777600 17.2062 -24.9016 76.5048 -26.9096 11.2327 -4.61203 71.9933 -5.0445 8.6747 TIMING: 4777600 CPU: 15405.2, 0.00312911/step Wall: 15405.2, 0.00312911/step, 0.193309 hours remaining, 235.277344 MB of memory in use. ENERGY: 4777600 3953.2160 20359.7204 14505.1104 261.0288 -203080.9984 2298.2035 0.0000 0.0000 52006.5877 -109697.1316 298.8826 -161703.7193 -109330.5584 298.9801 -32.6342 -0.3185 759791.5461 12.3087 12.3712 PRESSURE: 4777800 91.2814 -66.8337 -19.2945 -66.8331 65.7722 -250.632 -19.2948 -250.631 -199.964 GPRESSURE: 4777800 127.504 19.6443 -62.6163 -41.7175 158.024 -225.835 -36.49 -137.205 -231.364 PRESSAVG: 4777800 -12.6256 -14.0238 11.7858 -14.0238 -25.6748 -13.162 11.7858 -13.162 -23.1213 GPRESSAVG: 4777800 -12.0522 -13.9312 10.9889 -9.96898 -24.9231 -13.6089 12.871 -10.1887 -23.8973 TIMING: 4777800 CPU: 15405.8, 0.00314111/step Wall: 15405.8, 0.00314111/step, 0.193876 hours remaining, 235.277344 MB of memory in use. ENERGY: 4777800 3932.6436 20292.9011 14440.8713 261.7905 -202798.5637 2340.4461 0.0000 0.0000 51753.6233 -109776.2878 297.4288 -161529.9111 -109410.6289 298.4653 -14.3036 18.0548 761264.5725 -20.4739 -20.2909 PRESSURE: 4778000 -246.295 25.7634 153.317 25.764 -414.964 172.5 153.317 172.499 -303.502 GPRESSURE: 4778000 -197.592 -35.6458 190.125 -38.5192 -385.398 211.196 240.47 156.141 -287.184 PRESSAVG: 4778000 60.5222 -23.3801 21.2158 -23.3801 -71.2637 10.3992 21.2158 10.3992 -10.3674 GPRESSAVG: 4778000 61.4802 -24.5034 21.4605 -25.7595 -72.8343 9.36735 23.426 9.7594 -9.65365 TIMING: 4778000 CPU: 15406.4, 0.00313101/step Wall: 15406.4, 0.00313101/step, 0.193079 hours remaining, 235.277344 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: 4778000 3950.4473 20360.4464 14493.4299 243.6082 -202817.0536 2229.9880 0.0000 0.0000 51735.8465 -109803.2872 297.3266 -161539.1337 -109445.6357 298.3790 -321.5870 -290.0578 761964.8841 -7.0363 -7.0026 PRESSURE: 4778200 -237.12 -78.5187 -178.138 -78.5189 -166.999 109.245 -178.138 109.244 -39.1745 GPRESSURE: 4778200 -259.742 -44.4558 -53.9028 -94.4619 -119.978 54.7615 -264.03 147.685 17.0189 PRESSAVG: 4778200 -0.700643 -46.6808 32.2448 -46.6808 19.2123 49.1637 32.2448 49.1637 18.7329 GPRESSAVG: 4778200 -1.49261 -44.6324 32.3307 -46.432 19.351 50.2066 29.6837 47.1319 19.1895 TIMING: 4778200 CPU: 15407.1, 0.00314655/step Wall: 15407.1, 0.00314655/step, 0.193862 hours remaining, 235.277344 MB of memory in use. ENERGY: 4778200 4006.7762 20376.0323 14495.8852 249.8852 -203144.9475 2451.4917 0.0000 0.0000 51970.3287 -109594.5483 298.6742 -161564.8770 -109239.5776 298.8658 -147.7645 -120.9004 762145.7711 12.4149 12.3493 PRESSURE: 4778400 -59.4079 124.46 107.366 124.459 -4.63291 35.421 107.367 35.4208 297.192 GPRESSURE: 4778400 -30.3599 38.4704 168.315 173.334 2.03555 56.4948 86.2762 108.292 350.453 PRESSAVG: 4778400 22.2605 6.75659 15.1255 6.7566 9.01377 -31.7895 15.1256 -31.7895 -11.0002 GPRESSAVG: 4778400 21.9256 6.82385 12.1791 6.62572 9.46047 -30.4004 16.8528 -32.8024 -11.1734 TIMING: 4778400 CPU: 15407.7, 0.00313251/step Wall: 15407.7, 0.00313251/step, 0.192824 hours remaining, 235.277344 MB of memory in use. ENERGY: 4778400 3904.2858 20446.5835 14396.1454 248.6028 -203274.0604 2878.6789 0.0000 0.0000 51982.5747 -109417.1893 298.7446 -161399.7640 -109058.2591 299.6318 77.7169 107.3763 760701.4474 6.7580 6.7376 PRESSURE: 4778600 161.167 -57.5153 -35.6391 -57.5154 116.996 -41.3207 -35.6388 -41.3223 104.254 GPRESSURE: 4778600 197.054 -53.7406 -35.7451 126.12 132.201 -56.0611 47.4287 28.5745 144.581 PRESSAVG: 4778600 -21.2473 -13.6036 6.12776 -13.6036 2.10425 -24.8791 6.12776 -24.8792 8.37053 GPRESSAVG: 4778600 -22.2569 -13.1218 8.15199 -13.6675 3.40849 -24.7791 6.13409 -24.1337 8.70041 TIMING: 4778600 CPU: 15408.3, 0.00313794/step Wall: 15408.3, 0.00313794/step, 0.192983 hours remaining, 235.277344 MB of memory in use. ENERGY: 4778600 3935.4851 20472.8982 14507.6735 255.9471 -203102.7328 2632.7776 0.0000 0.0000 52148.1723 -109149.7790 299.6963 -161297.9513 -108794.0343 299.4675 127.4723 157.9455 761885.2003 -3.5908 -3.3827 PRESSURE: 4778800 60.472 -217.031 -43.1895 -217.031 25.6897 265.126 -43.1893 265.128 -230.199 GPRESSURE: 4778800 105.408 -131.457 -32.6698 -105.043 10.9297 171.524 -147.757 165.871 -198.493 PRESSAVG: 4778800 43.194 -90.7483 19.81 -90.7484 -29.7713 7.70528 19.8099 7.70533 -14.244 GPRESSAVG: 4778800 44.334 -91.8808 19.3353 -88.6288 -30.7795 5.64531 19.7593 7.71495 -15.0887 TIMING: 4778800 CPU: 15408.9, 0.00313423/step Wall: 15408.9, 0.00313423/step, 0.192581 hours remaining, 235.277344 MB of memory in use. ENERGY: 4778800 3996.0819 20488.9134 14449.0942 239.7497 -203307.1479 2436.3766 0.0000 0.0000 52436.8021 -109260.1301 301.3550 -161696.9322 -108892.8406 299.9660 -48.0123 -27.3849 762172.8995 -0.2738 -0.5114 PRESSURE: 4779000 -211.425 146.014 116.532 146.014 -153.276 112.669 116.532 112.669 -389.088 GPRESSURE: 4779000 -193.25 84.3363 172.059 24.0246 -116.048 80.8398 239.737 127.244 -359.915 PRESSAVG: 4779000 -21.4458 -45.8204 21.9165 -45.8204 5.18981 22.5642 21.9165 22.5643 23.3251 GPRESSAVG: 4779000 -21.6107 -43.6054 20.9127 -49.4331 6.1048 22.6226 22.9243 22.189 22.2976 TIMING: 4779000 CPU: 15409.6, 0.00315519/step Wall: 15409.6, 0.00315519/step, 0.193694 hours remaining, 235.277344 MB of memory in use. ENERGY: 4779000 4022.6683 20555.4615 14419.1360 257.2977 -203653.7621 2484.9690 0.0000 0.0000 52491.6424 -109422.5873 301.6702 -161914.2297 -109051.2820 299.6630 -251.2633 -223.0709 760017.6950 2.3564 2.2639 PRESSURE: 4779200 -57.547 25.4158 38.4004 25.4163 64.1216 -23.408 38.4007 -23.4086 -158.507 GPRESSURE: 4779200 -50.0202 -52.0249 79.9002 26.5837 84.2075 -43.3452 59.6214 -53.1598 -91.1247 PRESSAVG: 4779200 -38.9914 -22.0454 19.5454 -22.0454 -10.2333 -50.5473 19.5454 -50.5474 -8.85555 GPRESSAVG: 4779200 -40.1136 -25.7987 20.2986 -19.7706 -10.6311 -51.6796 19.5369 -50.3587 -7.31247 TIMING: 4779200 CPU: 15410.2, 0.00313963/step Wall: 15410.2, 0.00313963/step, 0.192564 hours remaining, 235.277344 MB of memory in use. ENERGY: 4779200 4119.8636 20600.3722 14466.1330 260.8646 -203778.7838 2785.4064 0.0000 0.0000 52082.5306 -109463.6136 299.3190 -161546.1442 -109114.0711 300.0045 -50.6440 -18.9791 759956.9620 -19.3601 -19.3524 PRESSURE: 4779400 74.6753 -78.0428 -53.916 -78.0418 -297.087 -96.6761 -53.9156 -96.6757 247.04 GPRESSURE: 4779400 74.4197 -76.3975 -111.035 -67.1264 -208.995 -149.289 -100.337 -63.7866 252.041 PRESSAVG: 4779400 -52.7613 -14.9028 5.67869 -14.9027 53.0941 -25.2627 5.67865 -25.2626 9.48687 GPRESSAVG: 4779400 -51.5929 -12.4574 6.74484 -15.1166 52.5293 -23.6578 6.0488 -26.8788 8.9734 TIMING: 4779400 CPU: 15410.8, 0.00314424/step Wall: 15410.8, 0.00314424/step, 0.192672 hours remaining, 235.277344 MB of memory in use. ENERGY: 4779400 3976.4388 20724.6666 14425.2611 239.6986 -203528.4255 2718.9685 0.0000 0.0000 51887.8252 -109555.5667 298.2000 -161443.3919 -109207.3476 299.3899 8.2095 39.1553 761986.8944 3.2732 3.3033 PRESSURE: 4779600 21.0103 -88.3886 -224.269 -88.3884 163.512 -274.856 -224.269 -274.855 -338.212 GPRESSURE: 4779600 105.132 -68.7808 -128.717 -115.416 209.638 -242.267 -209.734 -266.035 -374.89 PRESSAVG: 4779600 -1.33861 -35.2206 23.4215 -35.2207 20.0829 41.5889 23.4215 41.5888 26.1342 GPRESSAVG: 4779600 -1.17343 -36.7131 22.2326 -36.2684 20.1165 40.6347 23.8068 43.2044 26.353 TIMING: 4779600 CPU: 15411.4, 0.00313525/step Wall: 15411.4, 0.00313525/step, 0.191947 hours remaining, 235.277344 MB of memory in use. ENERGY: 4779600 3998.0077 20469.8330 14489.9924 253.8433 -203719.6637 2463.9997 0.0000 0.0000 52132.1163 -109911.8713 299.6040 -162043.9876 -109546.4392 299.0471 -51.2300 -20.0400 759625.0027 14.9595 15.0987 PRESSURE: 4779800 -223.336 -54.7947 -10.6917 -54.7947 -175.204 185.908 -10.6909 185.908 216.583 GPRESSURE: 4779800 -215.529 -77.6485 -11.7828 85.715 -113.38 251.04 -53.9157 221.748 256.756 PRESSAVG: 4779800 29.2152 22.782 63.7177 22.7819 -38.3206 10.0564 63.7178 10.0564 -5.26478 GPRESSAVG: 4779800 26.9977 22.4574 64.0073 24.3184 -37.0734 11.0925 59.6975 11.1481 -4.78984 TIMING: 4779800 CPU: 15412.1, 0.00312455/step Wall: 15412.1, 0.00312455/step, 0.191118 hours remaining, 235.277344 MB of memory in use. ENERGY: 4779800 4007.9018 20357.0345 14396.2477 247.0752 -203749.9071 2547.4689 0.0000 0.0000 52211.9044 -109982.2747 300.0625 -162194.1791 -109609.0123 298.3675 -60.6520 -24.0512 760281.7619 -4.7901 -4.9552 PRESSURE: 4780000 -281.73 -198.032 114.306 -198.032 129.817 14.3311 114.305 14.3298 172.672 GPRESSURE: 4780000 -118.791 -222.037 143.176 -21.7683 191.788 7.59407 99.1882 42.7385 43.4786 PRESSAVG: 4780000 -26.6547 -51.6863 41.1328 -51.6863 28.953 20.2239 41.1328 20.2239 -4.60301 GPRESSAVG: 4780000 -25.4446 -50.3947 41.7842 -52.9204 28.4771 20.4356 43.3986 19.5601 -4.70295 TIMING: 4780000 CPU: 15412.7, 0.00314085/step Wall: 15412.7, 0.00314085/step, 0.191941 hours remaining, 235.277344 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: 4780000 3989.5287 20394.8181 14436.7309 253.2271 -203915.4556 2698.8192 0.0000 0.0000 52039.8913 -110102.4403 299.0740 -162142.3316 -109736.6747 298.2169 6.9198 38.8253 759537.2670 -0.7682 -0.5568 PRESSURE: 4780200 -284.252 48.4906 120.784 48.4905 82.6772 -186.493 120.784 -186.492 -446.008 GPRESSURE: 4780200 -132.363 -31.1593 90.8559 18.6667 -7.0741 -185.833 265.241 -154.878 -423.903 PRESSAVG: 4780200 15.4706 -67.7014 -1.02793 -67.7014 -2.01514 -11.4129 -1.02794 -11.4129 30.8046 GPRESSAVG: 4780200 17.418 -67.1389 -1.20133 -67.4154 -2.91557 -13.395 -0.524754 -12.2345 30.263 TIMING: 4780200 CPU: 15413.3, 0.00313801/step Wall: 15413.3, 0.00313802/step, 0.191593 hours remaining, 235.277344 MB of memory in use. ENERGY: 4780200 3996.5556 20398.5566 14402.0016 250.5949 -203423.2191 2514.2977 0.0000 0.0000 51827.9894 -110033.2232 297.8562 -161861.2126 -109673.6289 298.3321 -215.8609 -187.7800 760262.8447 14.7534 14.9218 LDB: ============= START OF LOAD BALANCING ============== 15425.8 LDB: ============== END OF LOAD BALANCING =============== 15425.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15425.8 LDB: ============= START OF LOAD BALANCING ============== 15426.1 LDB: Largest compute 7064 load 0.030530 is 15.6% of average load 0.195767 LDB: Average compute 0.004364 is 2.2% of average load 0.195767 LDB: TIME 15426.1 LOAD: AVG 0.195767 MAX 0.215067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.98 MB LDB: TIME 15426.1 LOAD: AVG 0.195767 MAX 0.215067 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: TIME 15426.1 LOAD: AVG 0.195767 MAX 0.215067 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: ============== END OF LOAD BALANCING =============== 15426.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15426.1 PRESSURE: 4780400 278.886 134.16 198.777 134.16 -79.2381 108.716 198.777 108.716 -55.1778 GPRESSURE: 4780400 297.146 164.656 154.577 91.4934 -20.7566 36.8379 183.509 25.568 -49.0047 PRESSAVG: 4780400 -36.275 -58.2776 -8.62035 -58.2776 50.4428 -43.4564 -8.62036 -43.4564 13.8068 GPRESSAVG: 4780400 -36.7181 -60.4702 -9.83957 -56.6861 50.616 -42.0483 -8.56703 -43.0706 14.0743 TIMING: 4780400 CPU: 15414, 0.00321501/step Wall: 15414, 0.00321501/step, 0.196115 hours remaining, 234.042969 MB of memory in use. ENERGY: 4780400 3926.6491 20583.3913 14440.9186 229.8445 -203904.5470 2466.4421 0.0000 0.0000 51975.8367 -110281.4649 298.7058 -162257.3015 -109910.8099 298.1379 48.1569 75.7950 759864.6456 9.3249 9.3240 PRESSURE: 4780600 -223.184 68.6359 -138.912 68.6353 -116.894 20.5658 -138.912 20.5665 -198.703 GPRESSURE: 4780600 -229.022 120.441 -131.07 -40.8248 23.0357 94.1284 -143.255 137.749 -249.924 PRESSAVG: 4780600 -6.96153 -5.64847 -11.97 -5.64849 -11.6384 -41.8647 -11.97 -41.8646 -3.82839 GPRESSAVG: 4780600 -6.44066 -3.68063 -10.8016 -8.63685 -11.5711 -41.2033 -12.9903 -39.3821 -4.06111 TIMING: 4780600 CPU: 15414.6, 0.00314076/step Wall: 15414.6, 0.00314076/step, 0.191412 hours remaining, 234.042969 MB of memory in use. ENERGY: 4780600 3927.1581 20505.0886 14436.7511 254.0015 -203243.5061 2299.3053 0.0000 0.0000 51767.9868 -110053.2149 297.5113 -161821.2017 -109695.8037 298.1276 -179.5934 -151.9701 762088.5913 -7.4761 -7.3576 PRESSURE: 4780800 -15.4092 -114.218 4.28009 -114.218 312.904 144.43 4.27903 144.429 139.289 GPRESSURE: 4780800 77.502 -201.199 48.1096 -216.605 363.144 191.337 -151.8 70.5471 106.566 PRESSAVG: 4780800 1.54299 -16.182 -32.1929 -16.1819 7.8594 15.5566 -32.1929 15.5566 -10.5525 GPRESSAVG: 4780800 0.850606 -18.6848 -32.6702 -16.4515 8.98621 15.0389 -30.8867 13.9505 -11.0175 TIMING: 4780800 CPU: 15415.2, 0.00313799/step Wall: 15415.2, 0.00313799/step, 0.191069 hours remaining, 234.316406 MB of memory in use. ENERGY: 4780800 3994.7579 20453.6168 14488.4337 255.4332 -203711.0268 2705.4486 0.0000 0.0000 51873.3614 -109939.9752 298.1169 -161813.3366 -109581.3293 298.6291 145.5946 182.4040 761086.2896 -0.3834 -0.3936 PRESSURE: 4781000 84.8431 -20.756 5.73221 -20.7549 2.75525 24.6116 5.73154 24.6113 130.222 GPRESSURE: 4781000 131.135 38.9648 -0.499496 -32.0071 96.8037 53.2863 -0.557007 -60.2487 74.7721 PRESSAVG: 4781000 -31.5153 -73.1266 -28.8483 -73.1266 12.9006 33.9591 -28.8482 33.9591 21.1831 GPRESSAVG: 4781000 -31.5722 -70.7746 -28.8304 -72.4136 11.7417 35.4222 -31.7885 33.5345 21.8798 TIMING: 4781000 CPU: 15415.9, 0.00313772/step Wall: 15415.9, 0.00313772/step, 0.190878 hours remaining, 234.316406 MB of memory in use. ENERGY: 4781000 3946.5525 20565.9233 14476.0209 228.4729 -203849.9717 2718.0269 0.0000 0.0000 51960.5166 -109954.4586 298.6178 -161914.9752 -109599.8062 298.6483 72.6069 100.9035 761166.7554 0.8561 0.6831 PRESSURE: 4781200 421.059 33.1209 4.29831 33.1202 -52.9938 -176.117 4.29751 -176.117 -328.561 GPRESSURE: 4781200 451.509 21.4588 45.2904 7.65166 -27.6871 -191.056 -12.5675 -132.268 -293.091 PRESSAVG: 4781200 25.8182 -22.6245 -12.4871 -22.6245 -42.6532 7.38284 -12.487 7.3829 -2.37654 GPRESSAVG: 4781200 25.3382 -22.6375 -13.1372 -21.3871 -41.6568 7.74169 -10.2643 8.33071 -2.8796 TIMING: 4781200 CPU: 15416.5, 0.00312434/step Wall: 15416.5, 0.00312434/step, 0.18989 hours remaining, 234.316406 MB of memory in use. ENERGY: 4781200 3982.2125 20550.7642 14436.6682 239.2941 -203628.6162 2618.4241 0.0000 0.0000 51773.7384 -110027.5147 297.5444 -161801.2531 -109674.6700 298.4683 13.1682 43.5771 762193.6016 -6.4038 -6.3994 PRESSURE: 4781400 -143.151 -287.491 -49.2237 -287.491 -240.577 -8.20409 -49.2242 -8.20463 -2.46463 GPRESSURE: 4781400 -107.72 -169.189 -38.6595 -126.937 -197.424 -29.8787 -110.302 -58.4977 8.24499 PRESSAVG: 4781400 38.6229 -66.9673 -50.299 -66.9674 -7.60401 51.5005 -50.299 51.5006 5.06019 GPRESSAVG: 4781400 39.6818 -68.5138 -50.4457 -65.883 -9.06372 49.3086 -51.7338 51.3189 5.86929 TIMING: 4781400 CPU: 15417.1, 0.00311132/step Wall: 15417.1, 0.00311132/step, 0.188926 hours remaining, 234.316406 MB of memory in use. ENERGY: 4781400 3916.6033 20427.6145 14368.4889 250.5341 -203622.9150 2309.3665 0.0000 0.0000 52101.2984 -110249.0092 299.4269 -162350.3076 -109876.0039 298.5338 -128.7307 -98.9661 760362.2926 12.0264 12.1625 PRESSURE: 4781600 266.581 87.0194 10.8446 87.0187 -13.0734 -102.62 10.8444 -102.621 156.554 GPRESSURE: 4781600 314.739 130.669 -4.75115 75.5142 28.5446 -147.082 112.562 -48.5546 176.964 PRESSAVG: 4781600 50.288 -27.6598 -49.5796 -27.6599 -56.586 7.11069 -49.5795 7.11067 -29.4332 GPRESSAVG: 4781600 49.1965 -27.3434 -49.5006 -30.3097 -55.7463 8.28692 -46.9799 8.92575 -29.5106 TIMING: 4781600 CPU: 15417.7, 0.00310186/step Wall: 15417.7, 0.00310186/step, 0.188179 hours remaining, 234.316406 MB of memory in use. ENERGY: 4781600 3891.2954 20304.1825 14408.6944 258.6984 -203670.0589 2665.2404 0.0000 0.0000 51927.6407 -110214.3071 298.4289 -162141.9478 -109855.4853 297.9737 136.6871 173.4161 758977.3735 -11.9104 -12.0202 PRESSURE: 4781800 161.498 6.0173 -8.79282 6.01697 238.14 203.887 -8.79323 203.888 144.429 GPRESSURE: 4781800 125.712 -25.4068 -55.6298 -31.9372 267.268 261.923 -16.182 127.343 246.154 PRESSAVG: 4781800 5.03724 48.5365 -37.9981 48.5365 14.7351 9.22818 -37.9981 9.22819 12.0938 GPRESSAVG: 4781800 6.00659 47.7218 -38.2958 50.4717 15.6558 7.5254 -38.7441 8.05185 10.3906 TIMING: 4781800 CPU: 15418.3, 0.00312327/step Wall: 15418.3, 0.00312327/step, 0.189305 hours remaining, 234.316406 MB of memory in use. ENERGY: 4781800 3933.8724 20351.6337 14408.1776 256.0453 -203522.5944 2606.8868 0.0000 0.0000 51906.1692 -110059.8094 298.3055 -161965.9786 -109702.1759 298.2421 181.3557 213.0445 759828.3108 10.6220 10.6843 PRESSURE: 4782000 -2.0715 36.3254 143.745 36.3252 -417.321 35.3978 143.745 35.3979 -182.99 GPRESSURE: 4782000 71.7504 121.957 180.8 -60.4727 -327.796 74.3922 42.1438 27.2002 -262.52 PRESSAVG: 4782000 -21.7962 -19.7432 -74.1788 -19.7432 34.2204 20.9142 -74.1788 20.9142 10.6519 GPRESSAVG: 4782000 -22.6042 -17.1338 -72.2656 -20.5354 34.3404 22.9472 -76.249 19.2342 11.0068 TIMING: 4782000 CPU: 15419, 0.00309588/step Wall: 15419, 0.00309588/step, 0.187473 hours remaining, 234.316406 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: 4782000 4009.4147 20375.1171 14437.4861 225.1184 -203761.7703 2713.4411 0.0000 0.0000 51917.2287 -110083.9642 298.3690 -162001.1929 -109722.7238 298.1979 -200.7941 -172.8551 760388.7916 7.6920 7.5810 PRESSURE: 4782200 -395.238 -11.5816 60.7683 -11.5825 164.88 -25.7438 60.7682 -25.7439 -252.191 GPRESSURE: 4782200 -303.431 11.7753 80.9415 -12.6846 108.831 47.3791 7.00187 -42.4195 -206.708 PRESSAVG: 4782200 -91.5543 -32.3433 -26.7474 -32.3433 57.2525 -7.81201 -26.7474 -7.812 -23.442 GPRESSAVG: 4782200 -91.2853 -33.1008 -25.6718 -33.3205 55.425 -7.41359 -25.8056 -5.849 -22.0919 TIMING: 4782200 CPU: 15419.6, 0.00310768/step Wall: 15419.6, 0.00310768/step, 0.188015 hours remaining, 234.316406 MB of memory in use. ENERGY: 4782200 4011.4302 20544.4625 14427.8564 251.4591 -203379.5098 2279.9788 0.0000 0.0000 51730.4659 -110133.8570 297.2957 -161864.3229 -109760.5761 298.7993 -160.8495 -133.7695 759309.6943 -19.2479 -19.3174 PRESSURE: 4782400 -252.725 -62.5661 258.906 -62.5654 70.5473 126.693 258.907 126.694 -304.475 GPRESSURE: 4782400 -204.664 -87.6694 205.715 28.9973 39.9396 127.056 193.46 163.145 -226.088 PRESSAVG: 4782400 -76.93 -29.6504 3.48887 -29.6504 79.9417 27.7679 3.48889 27.768 23.1847 GPRESSAVG: 4782400 -78.0121 -31.3655 1.86901 -28.0095 82.2361 26.5316 3.70413 27.846 22.2435 TIMING: 4782400 CPU: 15420.2, 0.00314945/step Wall: 15420.2, 0.00314945/step, 0.190367 hours remaining, 234.316406 MB of memory in use. ENERGY: 4782400 4052.2403 20524.2562 14500.2174 251.0353 -203700.5241 2476.9044 0.0000 0.0000 51893.2584 -110002.6121 298.2313 -161895.8705 -109642.0306 298.3527 -162.2176 -130.2706 759075.9914 8.7321 8.8225 PRESSURE: 4782600 -5.85298 -124.037 -119.561 -124.036 -56.8233 -29.9041 -119.561 -29.9046 66.5406 GPRESSURE: 4782600 26.4983 -42.6969 -185.314 -160.903 -17.5443 -130.36 -154.077 5.47079 67.6444 PRESSAVG: 4782600 -1.44383 -5.07087 -3.05175 -5.07081 43.5824 -4.42162 -3.05173 -4.4216 -21.4857 GPRESSAVG: 4782600 -0.636441 -2.99779 -4.25064 -5.86043 42.461 -4.95843 -3.55315 -5.42893 -21.5223 TIMING: 4782600 CPU: 15420.8, 0.00312253/step Wall: 15420.8, 0.00312253/step, 0.188566 hours remaining, 234.316406 MB of memory in use. ENERGY: 4782600 3949.9919 20607.9461 14377.8991 244.4028 -203891.2122 2748.3325 0.0000 0.0000 52058.6402 -109903.9996 299.1817 -161962.6397 -109526.1892 298.9494 1.2881 25.5328 759799.0536 6.8843 6.7674 PRESSURE: 4782800 -32.5537 73.5298 -81.4858 73.53 -409.397 -39.0524 -81.4856 -39.0514 -235.344 GPRESSURE: 4782800 -90.2715 -75.4364 -84.9166 64.4395 -348.06 -88.1028 -52.7938 63.0744 -164.507 PRESSAVG: 4782800 5.90574 -46.0948 -15.6979 -46.0948 43.359 6.79376 -15.6979 6.79378 -8.25828 GPRESSAVG: 4782800 5.4597 -49.175 -15.3934 -44.8435 43.4055 5.57251 -14.9461 8.06994 -8.27392 TIMING: 4782800 CPU: 15421.5, 0.00312521/step Wall: 15421.5, 0.00312521/step, 0.188555 hours remaining, 234.316406 MB of memory in use. ENERGY: 4782800 4035.5732 20465.3560 14460.3298 260.9538 -203425.9855 2294.1627 0.0000 0.0000 51996.3891 -109913.2209 298.8240 -161909.6100 -109551.6990 298.6063 -225.7648 -200.9462 760534.3009 13.6688 13.5304 PRESSURE: 4783000 90.923 37.3129 -109.115 37.3128 64.0105 -57.5116 -109.114 -57.5116 -219.296 GPRESSURE: 4783000 65.6713 62.5233 -74.1573 2.05803 64.0633 47.4822 -40.8771 -185.373 -103.305 PRESSAVG: 4783000 -34.4651 -49.6648 11.5065 -49.6648 12.5733 -6.37602 11.5065 -6.37602 6.24676 GPRESSAVG: 4783000 -33.8365 -48.5046 12.2657 -49.1657 11.9134 -5.15149 12.1148 -4.58403 6.6998 TIMING: 4783000 CPU: 15422.1, 0.00313694/step Wall: 15422.1, 0.00313694/step, 0.189088 hours remaining, 234.316406 MB of memory in use. ENERGY: 4783000 3969.3356 20617.3423 14525.7101 243.5335 -203507.7152 2410.0902 0.0000 0.0000 52027.1310 -109714.5725 299.0006 -161741.7035 -109348.6895 299.0202 -21.4542 8.8099 759985.2639 -5.2150 -5.0745 PRESSURE: 4783200 -79.8594 -2.44978 73.898 -2.44957 -102.704 141.529 73.8981 141.528 -292.806 GPRESSURE: 4783200 -48.5028 27.011 129.209 3.48607 -76.9079 158.466 10.1486 202.989 -241.351 PRESSAVG: 4783200 29.7545 -73.3661 -15.5362 -73.3661 0.364117 0.762203 -15.5362 0.76217 7.31932 GPRESSAVG: 4783200 30.1726 -72.7863 -15.0797 -74.4415 1.29415 1.06758 -16.8926 -0.440737 6.50138 TIMING: 4783200 CPU: 15422.7, 0.00312073/step Wall: 15422.7, 0.00312073/step, 0.187938 hours remaining, 234.316406 MB of memory in use. ENERGY: 4783200 4078.9035 20536.1736 14405.3832 250.9033 -203845.3762 2641.0274 0.0000 0.0000 52267.8394 -109665.1457 300.3840 -161932.9852 -109301.9950 299.1918 -158.4564 -122.2540 760548.8356 12.4793 12.6561 PRESSURE: 4783400 48.3514 -54.1392 58.9353 -54.1389 110.46 41.765 58.9356 41.7646 -126.5 GPRESSURE: 4783400 52.9043 -5.48325 43.8473 -61.9495 107.972 -19.7687 65.2355 -36.8581 -39.965 PRESSAVG: 4783400 -26.032 4.22555 -23.5937 4.2256 55.1111 -11.7385 -23.5937 -11.7385 47.2498 GPRESSAVG: 4783400 -25.6172 2.87145 -23.8829 5.23893 54.4753 -10.5315 -21.6255 -11.7564 47.3898 TIMING: 4783400 CPU: 15423.3, 0.00311523/step Wall: 15423.3, 0.00311523/step, 0.187433 hours remaining, 234.316406 MB of memory in use. ENERGY: 4783400 3957.2777 20521.4445 14426.6914 256.9956 -203676.5288 2784.9080 0.0000 0.0000 51914.5292 -109814.6825 298.3535 -161729.2117 -109447.0277 299.1753 10.7705 40.3039 759546.8897 25.4429 25.4160 PRESSURE: 4783600 79.6428 -143.736 461.059 -143.736 -393.972 31.8256 461.059 31.8263 -186.843 GPRESSURE: 4783600 62.0037 -89.0439 426.213 -153.665 -236.773 51.5787 392.354 115.338 -251.957 PRESSAVG: 4783600 19.1715 -5.20006 29.6868 -5.20005 7.48188 -17.7562 29.6868 -17.7562 8.4504 GPRESSAVG: 4783600 18.2164 -3.18111 28.2252 -7.55513 8.94044 -17.9405 29.4876 -18.8534 7.6853 TIMING: 4783600 CPU: 15424, 0.00312285/step Wall: 15424, 0.00312285/step, 0.187718 hours remaining, 234.316406 MB of memory in use. ENERGY: 4783600 4004.6203 20658.5795 14337.7294 232.5570 -203691.7000 2523.0091 0.0000 0.0000 51982.9882 -109952.2165 298.7469 -161935.2047 -109595.1300 298.9081 -167.0574 -142.2422 760639.9340 11.7013 11.6140 PRESSURE: 4783800 -372.501 -81.8745 186.58 -81.874 -33.3269 282.284 186.58 282.282 100.8 GPRESSURE: 4783800 -206.643 -170.603 132.708 -179.54 -64.2876 303.835 49.8295 288.459 53.1194 PRESSAVG: 4783800 13.3396 -46.3168 -2.35342 -46.3168 -15.2958 -7.39844 -2.35351 -7.39843 -24.486 GPRESSAVG: 4783800 13.6773 -48.1525 -0.949887 -46.4714 -15.5967 -8.03352 -1.7361 -7.48411 -24.4198 TIMING: 4783800 CPU: 15424.6, 0.00311521/step Wall: 15424.6, 0.00311521/step, 0.187086 hours remaining, 234.316406 MB of memory in use. ENERGY: 4783800 4010.8871 20547.7290 14416.4815 254.1414 -203648.5856 2532.0870 0.0000 0.0000 51854.3783 -110032.8813 298.0078 -161887.2596 -109666.1343 298.5411 -101.6761 -72.6037 759367.3214 -8.8141 -8.7797 PRESSURE: 4784000 93.9174 285.36 -25.7994 285.36 -105.422 -113.601 -25.7994 -113.601 58.2666 GPRESSURE: 4784000 104.246 111.253 -126.361 56.0032 -78.7017 -166.758 -142.951 83.3228 88.3463 PRESSAVG: 4784000 -1.41893 -37.0456 -13.0298 -37.0456 -4.51583 60.9891 -13.0298 60.9891 17.6314 GPRESSAVG: 4784000 -1.37265 -35.996 -14.4386 -36.887 -5.30623 60.2242 -14.6972 62.4633 17.7302 TIMING: 4784000 CPU: 15425.2, 0.00312379/step Wall: 15425.2, 0.00312379/step, 0.187428 hours remaining, 234.316406 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: 4784000 3952.6262 20710.1812 14400.0292 230.2101 -203959.5389 2719.1711 0.0000 0.0000 51819.3637 -110127.9575 297.8066 -161947.3212 -109777.0835 297.9885 15.5873 37.9636 759906.3661 3.8989 3.6838 PRESSURE: 4784200 133.194 -23.9747 -18.0154 -23.9744 225.647 47.2458 -18.0157 47.2451 314.189 GPRESSURE: 4784200 161.547 -131.891 57.9897 13.9844 234.214 83.0944 -52.6805 -12.8666 361.569 PRESSAVG: 4784200 12.1403 -2.48954 -41.7299 -2.48957 14.2482 27.2241 -41.7298 27.2241 -1.66273 GPRESSAVG: 4784200 12.6519 -1.3173 -39.5265 -4.02189 13.8024 29.0993 -41.8644 26.6537 -1.83411 TIMING: 4784200 CPU: 15425.8, 0.00310759/step Wall: 15425.8, 0.00310759/step, 0.186283 hours remaining, 234.316406 MB of memory in use. ENERGY: 4784200 3972.8355 20764.9943 14472.1809 236.4940 -204038.8810 2684.8368 0.0000 0.0000 51879.8174 -110027.7223 298.1540 -161907.5397 -109669.7225 298.6562 224.3435 252.4434 758990.1793 8.2419 8.2067 LDB: ============= START OF LOAD BALANCING ============== 15438.3 LDB: ============== END OF LOAD BALANCING =============== 15438.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15438.3 LDB: ============= START OF LOAD BALANCING ============== 15438.6 LDB: Largest compute 7064 load 0.030721 is 15.7% of average load 0.195588 LDB: Average compute 0.004363 is 2.2% of average load 0.195588 LDB: TIME 15438.6 LOAD: AVG 0.195588 MAX 0.213323 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 15438.6 LOAD: AVG 0.195588 MAX 0.213323 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 15438.6 LOAD: AVG 0.195588 MAX 0.213323 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 15438.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15438.6 PRESSURE: 4784400 128.528 -52.2942 2.26262 -52.2942 -222.572 -12.0839 2.26264 -12.0843 -260.106 GPRESSURE: 4784400 85.8298 -19.7272 88.9731 77.1712 -63.3368 62.874 57.8855 -64.0965 -292.393 PRESSAVG: 4784400 79.7493 -11.7976 -33.9161 -11.7976 -54.9384 9.85177 -33.916 9.85171 5.55767 GPRESSAVG: 4784400 80.353 -14.2226 -35.1812 -9.5019 -55.3983 8.54218 -31.9726 8.91674 5.36523 TIMING: 4784400 CPU: 15426.5, 0.0031907/step Wall: 15426.5, 0.0031907/step, 0.191088 hours remaining, 235.195312 MB of memory in use. ENERGY: 4784400 3918.9088 20643.3082 14469.4951 233.9713 -203804.1905 2596.2071 0.0000 0.0000 52026.9222 -109915.3778 298.9994 -161942.3000 -109548.7562 298.9263 -118.0497 -89.9665 761925.7580 10.1228 10.1067 PRESSURE: 4784600 42.1065 292.864 215.472 292.864 126.171 -74.2582 215.472 -74.2588 411.179 GPRESSURE: 4784600 11.4625 300 188.995 184.409 185.254 -103.778 230.671 23.8638 455.307 PRESSAVG: 4784600 14.5266 5.15783 10.6868 5.15783 -42.8197 -21.0802 10.6867 -21.0803 7.50723 GPRESSAVG: 4784600 12.7702 6.60655 9.89148 5.56151 -41.3826 -20.2727 10.8166 -19.6512 7.50717 TIMING: 4784600 CPU: 15427.1, 0.00312271/step Wall: 15427.1, 0.00312271/step, 0.186842 hours remaining, 235.394531 MB of memory in use. ENERGY: 4784600 4042.8240 20526.1686 14492.8612 244.8240 -203774.2443 2735.2181 0.0000 0.0000 52173.5442 -109558.8042 299.8421 -161732.3484 -109200.6685 299.6639 193.1521 217.3413 760248.8243 -6.9286 -7.0351 PRESSURE: 4784800 -30.6095 134.882 32.9384 134.882 -118.795 -46.8288 32.9378 -46.8294 67.1549 GPRESSURE: 4784800 -35.7037 154.375 22.7582 53.02 4.33746 -2.28809 -20.6339 -40.4766 44.7021 PRESSAVG: 4784800 -2.81944 -15.707 -39.7572 -15.7069 28.2389 4.47324 -39.7572 4.4732 -7.87509 GPRESSAVG: 4784800 -2.39717 -16.6116 -37.5335 -16.0631 28.3724 3.65387 -41.1731 3.42959 -8.33763 TIMING: 4784800 CPU: 15427.7, 0.00314563/step Wall: 15427.7, 0.00314563/step, 0.188039 hours remaining, 235.710938 MB of memory in use. ENERGY: 4784800 3969.1291 20695.1757 14430.1254 250.8770 -203600.3567 2625.7493 0.0000 0.0000 52057.5519 -109571.7481 299.1755 -161629.3000 -109212.9031 299.9067 -27.4164 4.4453 759759.5100 5.8481 5.8792 PRESSURE: 4785000 66.3102 19.4168 93.3041 19.4169 281.945 86.4196 93.3041 86.4204 286.405 GPRESSURE: 4785000 168.535 -49.4591 14.6968 56.5383 258.719 41.2372 84.9443 185.311 308.726 PRESSAVG: 4785000 -12.2347 -7.35609 -75.0182 -7.35613 0.829542 26.843 -75.0182 26.8429 -9.81045 GPRESSAVG: 4785000 -11.6811 -8.30209 -75.9202 -4.83704 -0.0572651 27.4413 -75.3433 26.2687 -9.50588 TIMING: 4785000 CPU: 15428.4, 0.00311971/step Wall: 15428.4, 0.00311971/step, 0.186316 hours remaining, 235.710938 MB of memory in use. ENERGY: 4785000 4036.6059 20613.3578 14490.7210 260.9879 -204308.5314 3244.6528 0.0000 0.0000 52353.1800 -109309.0261 300.8744 -161662.2061 -108936.0693 300.0164 211.5533 245.3269 759693.5104 -7.0719 -7.0814 PRESSURE: 4785200 -334.743 215.884 -15.3765 215.885 -38.579 0.829947 -15.376 0.828583 -20.489 GPRESSURE: 4785200 -258.221 278.426 -20.5268 105.067 -32.9788 24.743 -6.05913 43.0478 -24.239 PRESSAVG: 4785200 24.7088 7.40956 -17.4535 7.40958 -14.3037 13.5849 -17.4536 13.5849 5.07108 GPRESSAVG: 4785200 24.6517 10.4668 -16.2016 3.7289 -14.4693 13.8716 -18.371 13.2061 5.80417 TIMING: 4785200 CPU: 15429, 0.00310724/step Wall: 15429, 0.00310724/step, 0.185399 hours remaining, 235.710938 MB of memory in use. ENERGY: 4785200 3937.9200 20761.2592 14473.0498 263.2603 -203319.6680 2282.6296 0.0000 0.0000 52426.4609 -109175.0881 301.2956 -161601.5489 -108804.0792 300.7222 -131.2703 -105.1463 758830.0979 5.1587 5.3289 PRESSURE: 4785400 -194.887 -128.789 -138.254 -128.79 -383.248 138.925 -138.253 138.926 -293.565 GPRESSURE: 4785400 -174.373 -180.137 -136.794 -117.929 -313.19 138.393 -92.8562 38.979 -308.322 PRESSAVG: 4785400 35.5051 -42.1109 3.45697 -42.1109 9.14695 -41.4621 3.45697 -41.4621 5.71987 GPRESSAVG: 4785400 35.2136 -42.1847 2.24016 -41.9678 8.91391 -41.7114 3.95771 -39.7017 5.88879 TIMING: 4785400 CPU: 15429.6, 0.00311618/step Wall: 15429.6, 0.00311618/step, 0.185759 hours remaining, 235.710938 MB of memory in use. ENERGY: 4785400 4001.1274 20709.2638 14409.6089 250.7151 -203293.0758 2407.9479 0.0000 0.0000 52205.9257 -109308.4871 300.0282 -161514.4128 -108949.1540 300.1739 -290.5667 -265.2947 761575.1522 16.7906 16.6721 PRESSURE: 4785600 -476.281 -40.0281 -300.337 -40.0271 -332.633 -116.324 -300.338 -116.324 197.905 GPRESSURE: 4785600 -434.848 -115.047 -281.442 -149.253 -287.715 -65.8647 -364.922 4.01079 212.089 PRESSAVG: 4785600 44.2721 -13.4471 0.721203 -13.4471 -14.7191 -26.743 0.721225 -26.743 4.43945 GPRESSAVG: 4785600 43.6108 -14.3258 0.54847 -14.0058 -13.7824 -27.8661 1.59504 -27.3171 4.40526 TIMING: 4785600 CPU: 15430.2, 0.00311851/step Wall: 15430.2, 0.00311851/step, 0.185725 hours remaining, 235.710938 MB of memory in use. ENERGY: 4785600 4056.4603 20680.9999 14472.4445 254.0862 -202733.8472 2128.3130 0.0000 0.0000 51763.6839 -109377.8594 297.4866 -161141.5433 -109015.0349 300.3902 -203.6700 -170.1579 761908.8087 11.3308 11.4112 PRESSURE: 4785800 256.549 -101.174 -18.8504 -101.174 72.7668 46.0408 -18.8503 46.0409 452.083 GPRESSURE: 4785800 212.881 -59.2251 105.891 -84.0958 213.031 -37.6162 14.6482 155.271 446.858 PRESSAVG: 4785800 24.7171 -11.9655 -42.9303 -11.9655 -33.0281 -9.6418 -42.9303 -9.64176 -5.48996 GPRESSAVG: 4785800 25.1967 -12.2624 -44.4246 -11.6347 -32.2761 -10.6883 -41.0127 -9.92481 -6.68707 TIMING: 4785800 CPU: 15430.8, 0.00311948/step Wall: 15430.8, 0.00311948/step, 0.185609 hours remaining, 235.710938 MB of memory in use. ENERGY: 4785800 3993.4401 20702.5842 14483.1793 266.2086 -203202.6931 2570.8932 0.0000 0.0000 51981.0584 -109205.3293 298.7359 -161186.3877 -108846.1332 300.0921 260.4664 290.9233 762306.5394 -4.6004 -4.5888 PRESSURE: 4786000 -228.068 -39.9612 -203.292 -39.9612 -2.43749 37.3374 -203.292 37.3379 -57.6791 GPRESSURE: 4786000 -250.204 -70.0444 -231.457 -0.371482 91.9074 -28.6672 -56.6339 -47.5368 -32.9528 PRESSAVG: 4786000 -0.705088 -32.6397 -43.9565 -32.6397 -1.766 -6.85325 -43.9564 -6.85324 -13.3659 GPRESSAVG: 4786000 -1.32396 -31.255 -42.5958 -29.3716 -2.0791 -4.88434 -46.1009 -7.6711 -12.5975 TIMING: 4786000 CPU: 15431.5, 0.00313059/step Wall: 15431.5, 0.00313059/step, 0.186096 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4786000 3994.4220 20497.1239 14443.4462 250.7030 -203143.0999 2546.5892 0.0000 0.0000 52102.3965 -109308.4192 299.4332 -161410.8156 -108938.4903 300.0793 -96.0615 -63.7498 761243.8305 -5.2790 -5.3335 PRESSURE: 4786200 -189.028 47.7674 131.395 47.767 -257.001 131.301 131.395 131.302 -448.723 GPRESSURE: 4786200 -203.636 68.9886 169.334 8.05802 -190.063 26.1445 173.774 178.315 -403.913 PRESSAVG: 4786200 21.5286 -12.4257 24.384 -12.4257 -54.0535 6.38151 24.384 6.38152 2.91966 GPRESSAVG: 4786200 21.3302 -12.5473 24.8569 -14.9443 -53.933 3.45851 24.76 7.5598 3.21387 TIMING: 4786200 CPU: 15432.1, 0.00311861/step Wall: 15432.1, 0.00311861/step, 0.185211 hours remaining, 235.710938 MB of memory in use. ENERGY: 4786200 4007.5711 20574.6844 14494.8443 237.3703 -203104.6738 2153.5827 0.0000 0.0000 52099.5649 -109537.0562 299.4169 -161636.6211 -109173.4789 299.3441 -298.2507 -265.8704 762180.6522 -9.8684 -9.7963 PRESSURE: 4786400 2.05847 26.8404 -106.617 26.8392 165.481 -150.918 -106.616 -150.918 130.77 GPRESSURE: 4786400 107.343 -59.4279 -146.583 -21.1197 183.458 41.2982 -102.362 -177.596 97.6049 PRESSAVG: 4786400 41.0777 -36.639 5.06454 -36.6389 -23.7691 -75.8022 5.06452 -75.8021 11.2451 GPRESSAVG: 4786400 42.4739 -39.1782 4.94414 -36.621 -25.1725 -75.0413 6.74827 -75.8538 11.3313 TIMING: 4786400 CPU: 15432.7, 0.00310827/step Wall: 15432.7, 0.00310827/step, 0.184424 hours remaining, 235.710938 MB of memory in use. ENERGY: 4786400 3992.3532 20659.1186 14409.2501 236.0417 -203334.6525 2423.8117 0.0000 0.0000 51968.6251 -109645.4521 298.6644 -161614.0773 -109290.5729 299.1423 99.4365 129.4685 761315.6579 9.5179 9.5442 PRESSURE: 4786600 201.464 99.0107 87.2081 99.0105 78.1253 -234.851 87.2069 -234.851 -31.8177 GPRESSURE: 4786600 202.033 64.8696 73.5502 177.824 158.285 -235.818 71.0564 -146.203 3.98946 PRESSAVG: 4786600 15.2866 -33.8499 -4.99447 -33.8499 -16.6462 -11.9024 -4.99445 -11.9024 -16.6725 GPRESSAVG: 4786600 15.5322 -31.4861 -6.62022 -35.2439 -16.7777 -11.6432 -5.83966 -10.8041 -16.1851 TIMING: 4786600 CPU: 15433.3, 0.00311219/step Wall: 15433.3, 0.00311219/step, 0.184484 hours remaining, 235.710938 MB of memory in use. ENERGY: 4786600 4029.5599 20498.3334 14442.4563 247.4891 -203584.9801 2631.8228 0.0000 0.0000 52098.4255 -109636.8930 299.4104 -161735.3185 -109278.0085 299.3327 82.5906 121.4357 759826.6411 -6.0107 -5.8102 PRESSURE: 4786800 -171.805 58.9878 70.1606 58.987 134.048 20.3528 70.1615 20.3523 -124.432 GPRESSURE: 4786800 -62.562 123.585 53.8188 -3.63616 59.1002 37.3769 -4.21521 128.739 -63.9246 PRESSAVG: 4786800 -24.4315 17.0682 43.2586 17.0681 -14.195 -5.29818 43.2586 -5.29813 16.4768 GPRESSAVG: 4786800 -24.7307 14.5611 44.5029 18.9695 -12.5509 -5.56706 42.6089 -7.13391 15.481 TIMING: 4786800 CPU: 15434, 0.00311451/step Wall: 15434, 0.00311451/step, 0.184448 hours remaining, 235.710938 MB of memory in use. ENERGY: 4786800 3954.2793 20451.2807 14356.0529 251.8809 -203386.9491 2520.2995 0.0000 0.0000 52315.8959 -109537.2600 300.6602 -161853.1559 -109177.2309 299.5124 -54.0631 -22.4621 760811.0722 -7.3833 -7.2669 PRESSURE: 4787000 -181.995 36.0187 -69.8985 36.0194 -457.905 147.738 -69.8992 147.739 -408.924 GPRESSURE: 4787000 -70.9525 49.7756 -157.843 -31.0974 -382.591 133.913 -27.3334 183.878 -507.21 PRESSAVG: 4787000 -8.15182 -26.5595 15.5227 -26.5595 32.5657 -39.9148 15.5226 -39.9148 9.89753 GPRESSAVG: 4787000 -8.25528 -24.3342 16.1899 -27.6489 31.9554 -38.7625 15.8564 -37.7474 10.2245 TIMING: 4787000 CPU: 15434.6, 0.00311088/step Wall: 15434.6, 0.00311088/step, 0.184061 hours remaining, 235.710938 MB of memory in use. ENERGY: 4787000 3996.7065 20571.9394 14454.9222 247.7848 -202951.6467 2217.2798 0.0000 0.0000 52099.3811 -109363.6329 299.4159 -161463.0140 -109001.8464 299.3923 -349.6082 -320.2513 761959.9340 11.4371 11.3082 PRESSURE: 4787200 -84.9919 -26.8793 -52.2164 -26.8796 -74.921 132.471 -52.2168 132.472 355.606 GPRESSURE: 4787200 7.05934 1.46705 -43.4987 -66.9411 -33.0689 129.312 -111.135 72.9361 327.622 PRESSAVG: 4787200 -59.3083 -31.8891 -21.5318 -31.8891 8.07833 5.7872 -21.5317 5.78716 -3.5826 GPRESSAVG: 4787200 -59.1893 -33.0192 -22.002 -31.865 7.49342 6.53073 -21.7113 3.04987 -2.94686 TIMING: 4787200 CPU: 15435.2, 0.00312277/step Wall: 15435.2, 0.00312277/step, 0.18459 hours remaining, 235.710938 MB of memory in use. ENERGY: 4787200 3999.1368 20445.9769 14409.1815 250.4832 -203464.3895 2598.4471 0.0000 0.0000 52168.9919 -109592.1720 299.8159 -161761.1639 -109230.8420 299.6425 65.2312 100.5375 759259.1175 -18.2709 -18.2143 PRESSURE: 4787400 -285.664 -230.362 -124.939 -230.363 195.605 7.99784 -124.938 7.99808 18.0667 GPRESSURE: 4787400 -243.346 -222.241 -104.607 -181.781 190.415 -39.0484 -54.7821 -41.854 53.8276 PRESSAVG: 4787400 -33.0888 -14.542 -24.355 -14.542 30.7154 -34.2967 -24.355 -34.2966 5.27693 GPRESSAVG: 4787400 -33.4288 -13.7146 -24.2798 -13.671 31.656 -37.695 -25.4832 -31.8024 4.75916 TIMING: 4787400 CPU: 15435.8, 0.00310458/step Wall: 15435.8, 0.00310458/step, 0.183343 hours remaining, 235.710938 MB of memory in use. ENERGY: 4787400 4093.6613 20684.2738 14399.0655 235.5991 -203390.4099 2423.3989 0.0000 0.0000 51940.7314 -109613.6799 298.5041 -161554.4113 -109257.3406 299.2863 -23.9974 0.2989 759558.5526 0.9678 0.9954 PRESSURE: 4787600 -219.404 -134.298 -78.9669 -134.298 41.4659 213.107 -78.9664 213.108 -338.764 GPRESSURE: 4787600 -162.327 -109.882 -128.284 -178.173 58.1837 197.309 -126.942 306.422 -326.902 PRESSAVG: 4787600 -27.2807 -23.9089 -19.9088 -23.9089 36.0375 3.01882 -19.9088 3.0187 -8.57468 GPRESSAVG: 4787600 -25.1098 -25.2926 -21.3881 -22.4677 34.2492 5.65239 -16.5812 1.55832 -8.62269 TIMING: 4787600 CPU: 15436.5, 0.00310636/step Wall: 15436.5, 0.00310636/step, 0.183276 hours remaining, 235.710938 MB of memory in use. ENERGY: 4787600 3966.3406 20626.6964 14344.3627 234.0509 -203369.7929 2428.0635 0.0000 0.0000 52136.8966 -109633.3823 299.6315 -161770.2789 -109271.0722 299.2905 -172.2338 -143.6818 760488.8924 0.0607 0.1722 PRESSURE: 4787800 88.288 90.4216 150.147 90.421 13.7901 -181.061 150.147 -181.06 134.503 GPRESSURE: 4787800 136.897 112.188 30.4328 -6.41163 51.7874 -158.704 30.2771 -150.394 147.754 PRESSAVG: 4787800 -1.40875 -13.4127 -41.3519 -13.4126 7.98899 -37.4772 -41.3519 -37.4772 -2.84207 GPRESSAVG: 4787800 -3.49851 -12.8284 -40.1912 -16.8475 10.55 -38.1584 -46.0348 -36.6481 -2.90238 TIMING: 4787800 CPU: 15437.1, 0.00310299/step Wall: 15437.1, 0.00310299/step, 0.182904 hours remaining, 235.710938 MB of memory in use. ENERGY: 4787800 4008.4336 20453.9596 14456.1629 230.5201 -203297.6709 2537.3240 0.0000 0.0000 52061.0017 -109550.2690 299.1953 -161611.2707 -109194.2611 299.4223 78.8602 112.1460 760216.0534 1.2461 1.3830 PRESSURE: 4788000 -578.426 -12.9251 -300.015 -12.9242 -209.235 80.2377 -300.015 80.2371 -259.06 GPRESSURE: 4788000 -518.83 121.34 -283.269 32.8281 -145.403 64.4149 -202.174 45.571 -285.182 PRESSAVG: 4788000 20.071 -32.8688 -13.1587 -32.8688 6.28876 -29.9103 -13.1587 -29.9104 -13.8591 GPRESSAVG: 4788000 21.6778 -33.8689 -12.8195 -29.9884 4.58996 -30.9812 -12.6661 -29.2615 -14.0382 TIMING: 4788000 CPU: 15437.7, 0.00311463/step Wall: 15437.7, 0.00311463/step, 0.183417 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4788000 3963.4087 20515.3810 14474.3497 260.9903 -202712.0946 2029.7444 0.0000 0.0000 51945.6276 -109522.5929 298.5322 -161468.2205 -109169.3173 299.2756 -348.9071 -316.4715 761548.4053 4.1669 4.0765 PRESSURE: 4788200 239.848 27.215 27.2585 27.2147 221.53 -189.118 27.2588 -189.118 -153.884 GPRESSURE: 4788200 214.278 22.2776 82.6049 18.6127 214.613 -178.718 12.8914 -30.2342 -49.7213 PRESSAVG: 4788200 19.9425 -24.8767 -5.46952 -24.8767 5.26128 1.67541 -5.46955 1.67534 9.48744 GPRESSAVG: 4788200 19.5017 -25.2402 -5.68234 -23.6557 6.47778 3.17922 -3.0958 -0.21063 9.081 TIMING: 4788200 CPU: 15438.3, 0.00312889/step Wall: 15438.3, 0.00312889/step, 0.184083 hours remaining, 235.710938 MB of memory in use. ENERGY: 4788200 3979.8194 20690.0675 14422.3608 237.9530 -203398.1634 2327.1168 0.0000 0.0000 52110.5677 -109630.2782 299.4801 -161740.8460 -109278.8997 299.5909 102.4979 126.3897 759785.9887 11.5637 11.6868 LDB: ============= START OF LOAD BALANCING ============== 15450.7 LDB: ============== END OF LOAD BALANCING =============== 15450.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15450.7 LDB: ============= START OF LOAD BALANCING ============== 15451.1 LDB: Largest compute 7037 load 0.031695 is 16.2% of average load 0.195759 LDB: Average compute 0.004357 is 2.2% of average load 0.195759 LDB: TIME 15451.1 LOAD: AVG 0.195759 MAX 0.215439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 15451.1 LOAD: AVG 0.195759 MAX 0.215439 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 15451.1 LOAD: AVG 0.195759 MAX 0.215439 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 15451.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15451.1 PRESSURE: 4788400 -257.45 -23.5277 -33.8231 -23.5281 189.835 192.131 -33.8236 192.131 -219.723 GPRESSURE: 4788400 -187.054 -3.18193 -20.7445 -35.6745 137.131 206.576 -3.13036 134.403 -173.092 PRESSAVG: 4788400 31.5609 -24.0079 23.6287 -24.008 15.5387 58.8115 23.6287 58.8115 -7.24287 GPRESSAVG: 4788400 30.416 -22.4753 21.7374 -27.6025 13.9913 56.8168 23.7354 61.5745 -4.99786 TIMING: 4788400 CPU: 15439, 0.00318209/step Wall: 15439, 0.00318209/step, 0.187036 hours remaining, 236.355469 MB of memory in use. ENERGY: 4788400 3991.2106 20632.8582 14441.9770 249.7006 -203385.2493 2431.9322 0.0000 0.0000 52075.9726 -109561.5982 299.2813 -161637.5708 -109200.2026 299.5973 -95.7794 -74.3384 759851.2831 13.2856 13.1365 PRESSURE: 4788600 261.312 -213.344 -60.4789 -213.344 -52.0845 144.922 -60.4792 144.923 147.085 GPRESSURE: 4788600 333.946 -136.878 -83.7268 -161.774 34.8828 213.945 -197.039 95.2106 72.4628 PRESSAVG: 4788600 -42.749 -60.6266 -48.0398 -60.6266 1.54679 23.1876 -48.0399 23.1877 -2.8663 GPRESSAVG: 4788600 -42.7332 -60.7469 -47.5773 -60.2409 3.26326 25.5256 -48.7476 20.8035 -4.29858 TIMING: 4788600 CPU: 15439.6, 0.00311959/step Wall: 15439.6, 0.00311959/step, 0.183189 hours remaining, 236.355469 MB of memory in use. ENERGY: 4788600 4022.0887 20733.3692 14481.6070 236.6181 -203461.3054 2380.4203 0.0000 0.0000 52038.5774 -109568.6247 299.0664 -161607.2021 -109215.4457 299.5148 118.7709 147.0971 759861.8989 -14.6895 -14.5895 PRESSURE: 4788800 142.52 104.396 116.055 104.397 113.839 114.667 116.055 114.667 93.6576 GPRESSURE: 4788800 137.664 162.237 82.0449 69.7091 138.761 59.8882 109.729 130.584 152.58 PRESSAVG: 4788800 14.6851 -38.8948 -21.1585 -38.8948 -25.6884 -11.7813 -21.1585 -11.7814 23.9503 GPRESSAVG: 4788800 15.7574 -38.2479 -19.1306 -38.2218 -26.3428 -12.1201 -20.6383 -10.8116 24.1295 TIMING: 4788800 CPU: 15440.2, 0.00313075/step Wall: 15440.2, 0.00313075/step, 0.183671 hours remaining, 236.355469 MB of memory in use. ENERGY: 4788800 4028.5029 20474.1122 14393.5249 239.1759 -203586.5027 2517.9736 0.0000 0.0000 52308.7331 -109624.4801 300.6190 -161933.2132 -109275.1448 299.2772 116.6723 143.0018 758901.9729 4.3157 4.5147 PRESSURE: 4789000 -107.168 -45.9457 -301.511 -45.9447 -90.1941 -83.9956 -301.511 -83.9969 -79.4875 GPRESSURE: 4789000 -132.079 44.6865 -370.076 -76.5399 39.6268 -132.782 -283.157 -46.9769 -85.1893 PRESSAVG: 4789000 10.2962 -52.8636 -49.7224 -52.8636 -10.8436 -50.9011 -49.7223 -50.9011 3.7852 GPRESSAVG: 4789000 10.0932 -53.5534 -51.5575 -52.4157 -10.7871 -50.1881 -49.8657 -51.3668 4.21483 TIMING: 4789000 CPU: 15440.8, 0.00314752/step Wall: 15440.8, 0.00314752/step, 0.18448 hours remaining, 236.355469 MB of memory in use. ENERGY: 4789000 4134.5345 20659.0878 14454.8907 250.3304 -203611.6969 2569.0922 0.0000 0.0000 51911.8981 -109631.8633 298.3384 -161543.7614 -109276.3393 299.6749 -92.2833 -59.2140 758097.1771 1.0793 1.1736 PRESSURE: 4789200 13.9519 -236.537 288.082 -236.536 19.6877 18.2365 288.082 18.2363 404.896 GPRESSURE: 4789200 74.9914 -261.858 257.485 -258.281 45.1344 78.7932 163.255 86.1907 426.753 PRESSAVG: 4789200 -5.86965 6.36144 -23.7556 6.36143 4.64909 12.3297 -23.7556 12.3297 -17.3164 GPRESSAVG: 4789200 -6.56239 4.37999 -24.0347 6.1941 5.40048 11.953 -24.9309 12.5326 -17.1636 TIMING: 4789200 CPU: 15441.5, 0.00312278/step Wall: 15441.5, 0.00312278/step, 0.182856 hours remaining, 236.355469 MB of memory in use. ENERGY: 4789200 3964.8056 20341.2047 14427.4102 251.4606 -203303.2888 2521.9987 0.0000 0.0000 51932.9089 -109863.5001 298.4591 -161796.4090 -109497.9556 299.0573 146.1784 182.2929 760367.1851 -6.1790 -6.1085 PRESSURE: 4789400 11.3288 -187.16 413.576 -187.16 59.8116 81.3647 413.577 81.3642 -1.24371 GPRESSURE: 4789400 50.2455 -44.3774 444.278 -117.468 124.478 49.8536 325.072 9.7824 -2.11399 PRESSAVG: 4789400 -19.6583 -12.6405 14.7641 -12.6406 -8.68397 19.107 14.7642 19.1071 9.01072 GPRESSAVG: 4789400 -18.478 -10.2679 17.28 -13.1668 -9.8199 20.2062 13.4606 17.2502 9.0685 TIMING: 4789400 CPU: 15442.1, 0.00312139/step Wall: 15442.1, 0.00312139/step, 0.182601 hours remaining, 236.355469 MB of memory in use. ENERGY: 4789400 3964.7215 20459.9323 14376.4365 259.3568 -203511.6270 2573.6293 0.0000 0.0000 52039.8518 -109837.6988 299.0737 -161877.5506 -109481.6540 298.5114 23.2989 57.5364 759748.0005 -6.4439 -6.4098 PRESSURE: 4789600 181.409 63.3923 -178.392 63.3933 -91.7322 46.4088 -178.391 46.409 -107.574 GPRESSURE: 4789600 315.707 -29.5042 -241.774 56.3073 -84.9747 75.0317 -36.1343 -12.4571 -153.533 PRESSAVG: 4789600 44.1097 -50.5032 -4.05352 -50.5031 -27.6142 -31.3368 -4.05347 -31.3368 -3.14488 GPRESSAVG: 4789600 42.9979 -51.4136 -4.89341 -49.6666 -26.2991 -33.6055 -2.15433 -29.4362 -3.04184 TIMING: 4789600 CPU: 15442.7, 0.00311079/step Wall: 15442.7, 0.00311079/step, 0.181808 hours remaining, 236.355469 MB of memory in use. ENERGY: 4789600 3986.0944 20463.8666 14402.5922 243.2023 -203632.8137 2567.6038 0.0000 0.0000 51979.9856 -109989.4687 298.7297 -161969.4543 -109605.6148 299.0549 -5.9657 25.7331 760013.1060 4.4502 4.5523 PRESSURE: 4789800 -74.8827 -242.071 190.096 -242.071 -150.175 -56.2351 190.096 -56.2353 -462.316 GPRESSURE: 4789800 16.2512 -194.58 196.743 -244.788 -182.557 -141.722 186.905 79.2429 -453.536 PRESSAVG: 4789800 47.7212 -48.1782 32.1756 -48.1782 -24.8516 22.8834 32.1757 22.8835 9.43045 GPRESSAVG: 4789800 48.7324 -50.9664 31.0973 -49.2866 -25.4445 24.0722 32.7119 22.9405 8.73991 TIMING: 4789800 CPU: 15443.3, 0.00312507/step Wall: 15443.3, 0.00312507/step, 0.182469 hours remaining, 236.355469 MB of memory in use. ENERGY: 4789800 4085.4719 20553.8395 14438.9131 236.2964 -203250.5381 2265.6609 0.0000 0.0000 51919.4555 -109750.9008 298.3818 -161670.3563 -109398.7684 298.8514 -229.1245 -206.6137 760394.3805 10.7667 10.6759 PRESSURE: 4790000 158.314 68.554 41.7105 68.5545 -132.343 214.329 41.7105 214.329 311.983 GPRESSURE: 4790000 209.941 113.859 82.5716 281.373 -124.332 229.264 -55.0571 77.2545 332.081 PRESSAVG: 4790000 16.1696 -20.0006 -16.2369 -20.0005 -44.0813 -33.2063 -16.2369 -33.2063 -16.4223 GPRESSAVG: 4790000 16.1073 -16.7495 -15.8323 -19.217 -43.3675 -34.8977 -15.9191 -34.3526 -16.7838 TIMING: 4790000 CPU: 15444, 0.00312681/step Wall: 15444, 0.00312681/step, 0.182397 hours remaining, 236.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4790000 3935.9180 20343.4376 14411.6055 241.3554 -203242.1093 2504.3683 0.0000 0.0000 52125.3319 -109680.0927 299.5650 -161805.4246 -109304.5344 299.0551 112.6510 139.2301 758336.5054 -14.7780 -14.6813 PRESSURE: 4790200 -28.3419 -56.4335 56.4934 -56.4336 -26.6487 27.0343 56.4936 27.0333 82.2994 GPRESSURE: 4790200 10.2755 -67.945 51.1571 -69.1525 -18.3786 54.6537 100.549 56.3779 122.288 PRESSAVG: 4790200 25.7293 6.10498 35.0995 6.10499 12.0227 -23.6485 35.0995 -23.6485 7.96717 GPRESSAVG: 4790200 24.8369 6.18561 35.5127 6.002 12.0475 -21.4713 35.9456 -23.2119 8.84658 TIMING: 4790200 CPU: 15444.6, 0.00314495/step Wall: 15444.6, 0.00314495/step, 0.183281 hours remaining, 236.355469 MB of memory in use. ENERGY: 4790200 4000.6473 20626.4781 14450.8651 234.1827 -203822.4358 2499.6379 0.0000 0.0000 52120.6974 -109889.9274 299.5384 -162010.6248 -109517.9787 299.1140 9.1029 38.0616 759112.4971 15.2397 15.2437 PRESSURE: 4790400 -207.699 -131.105 -15.1477 -131.105 -334.154 -37.5664 -15.1472 -37.5652 14.7706 GPRESSURE: 4790400 -177.66 -263.218 -56.9307 -120.938 -252.297 -42.9646 30.1999 -64.9501 -3.09214 PRESSAVG: 4790400 -54.8207 -19.09 9.99245 -19.09 26.2062 16.2871 9.99248 16.2871 -13.8115 GPRESSAVG: 4790400 -54.7591 -20.0076 9.75485 -18.0956 26.8518 14.9733 8.04527 15.2502 -14.4098 TIMING: 4790400 CPU: 15445.2, 0.003141/step Wall: 15445.2, 0.003141/step, 0.182876 hours remaining, 236.355469 MB of memory in use. ENERGY: 4790400 4041.6346 20593.7660 14383.9527 244.2409 -203465.0239 2489.6867 0.0000 0.0000 51777.1121 -109934.6309 297.5638 -161711.7430 -109575.9478 298.5310 -175.6944 -144.3497 760127.6619 -14.1420 -14.1057 PRESSURE: 4790600 -367.044 39.2293 51.4082 39.2286 -108.966 -94.1812 51.4081 -94.1813 -249.267 GPRESSURE: 4790600 -304.904 79.7651 82.051 -9.67334 -120.033 -132.91 35.6652 54.1702 -209.923 PRESSAVG: 4790600 -10.5665 52.3747 -12.8492 52.3747 40.0869 -28.4054 -12.8491 -28.4054 -10.8372 GPRESSAVG: 4790600 -10.2003 51.6134 -11.8454 49.9236 39.3219 -27.0766 -12.8626 -24.9013 -10.3432 TIMING: 4790600 CPU: 15445.8, 0.00313053/step Wall: 15445.8, 0.00313053/step, 0.182093 hours remaining, 236.355469 MB of memory in use. ENERGY: 4790600 3986.8931 20537.5076 14371.9635 256.1997 -203556.1130 2358.0865 0.0000 0.0000 52118.8107 -109926.6518 299.5275 -162045.4626 -109567.4150 298.4693 -241.7590 -211.6200 760263.9265 6.2277 6.2595 PRESSURE: 4790800 42.3512 -47.3922 269.549 -47.3918 105.296 217.478 269.548 217.479 -24.205 GPRESSURE: 4790800 66.1552 -27.1906 189.671 -84.1776 128.42 216.508 257.476 244.373 14.8956 PRESSAVG: 4790800 -6.48366 27.9032 45.4618 27.9032 8.48 24.4765 45.4618 24.4766 9.54871 GPRESSAVG: 4790800 -6.8377 29.1926 43.4023 29.3345 7.98922 22.5708 46.138 22.9806 9.83924 TIMING: 4790800 CPU: 15446.5, 0.00312614/step Wall: 15446.5, 0.00312614/step, 0.181664 hours remaining, 236.355469 MB of memory in use. ENERGY: 4790800 3953.7557 20400.3101 14466.5533 241.3342 -203530.4627 2438.4088 0.0000 0.0000 52048.0119 -109982.0888 299.1206 -162030.1007 -109615.4164 298.5911 41.1474 69.8237 759615.7734 3.8484 3.6636 PRESSURE: 4791000 -86.1248 35.8616 27.5226 35.8621 302.714 -208.679 27.5227 -208.678 163.708 GPRESSURE: 4791000 -61.9204 -5.28517 -71.6965 30.1307 378.773 -158.136 40.9871 -152.378 149.418 PRESSAVG: 4791000 2.41943 -37.3571 2.60371 -37.3571 4.1046 -36.593 2.60372 -36.5931 29.1293 GPRESSAVG: 4791000 1.77825 -37.1141 2.88877 -37.0231 6.06593 -36.1489 2.84525 -36.5855 28.3465 TIMING: 4791000 CPU: 15447.1, 0.00312827/step Wall: 15447.1, 0.00312827/step, 0.181614 hours remaining, 236.355469 MB of memory in use. ENERGY: 4791000 3975.4832 20465.9759 14446.8295 252.6442 -204226.5453 2931.7067 0.0000 0.0000 52249.8725 -109904.0334 300.2807 -162153.9059 -109551.8991 298.3413 126.7655 155.4237 759241.7508 11.8844 12.0636 PRESSURE: 4791200 -147.201 -36.3364 -40.4521 -36.3368 -29.0147 -2.08141 -40.4521 -2.08293 49.1752 GPRESSURE: 4791200 -247.287 -12.1046 -1.82412 31.4884 60.7203 -81.7567 -63.9075 121.519 151.32 PRESSAVG: 4791200 58.5669 -10.1608 2.67349 -10.1607 -8.35906 -30.4655 2.67351 -30.4656 -1.32405 GPRESSAVG: 4791200 59.2795 -11.4352 2.98481 -10.3019 -8.94773 -29.1943 3.93246 -30.7625 -1.14028 TIMING: 4791200 CPU: 15447.7, 0.00312911/step Wall: 15447.7, 0.00312911/step, 0.181488 hours remaining, 236.355469 MB of memory in use. ENERGY: 4791200 4034.8120 20413.6811 14394.5417 255.0901 -203658.6556 2677.4746 0.0000 0.0000 52038.0521 -109845.0039 299.0634 -161883.0560 -109486.6629 298.6036 -42.3467 -11.7490 760813.6518 16.2946 16.3971 PRESSURE: 4791400 98.8867 139.808 -155.36 139.809 219.905 -122.24 -155.361 -122.24 78.6253 GPRESSURE: 4791400 122.388 180.558 -221.525 134.348 321.297 -184.231 -100.737 -96.001 25.7618 PRESSAVG: 4791400 -43.2169 -0.562615 -6.64439 -0.562657 31.5154 -84.8998 -6.6444 -84.8997 4.50227 GPRESSAVG: 4791400 -42.6994 -0.964133 -6.30602 -0.279297 31.527 -85.3193 -8.70825 -86.4954 4.72867 TIMING: 4791400 CPU: 15448.3, 0.00312147/step Wall: 15448.3, 0.00312147/step, 0.180872 hours remaining, 236.355469 MB of memory in use. ENERGY: 4791400 3971.9757 20342.4427 14388.7475 256.5158 -204210.0840 2947.6394 0.0000 0.0000 52284.0422 -110018.7207 300.4771 -162302.7628 -109650.6267 298.3536 132.4723 156.4821 757984.4166 -2.3997 -2.1479 PRESSURE: 4791600 18.9715 -176.795 61.2659 -176.796 125.724 -72.4138 61.2663 -72.415 -212.406 GPRESSURE: 4791600 111.329 -227.201 -71.0005 -57.5844 135.17 -87.1881 192.015 -0.291382 -240.603 PRESSAVG: 4791600 -69.1446 -1.85711 16.5098 -1.8572 56.2577 13.196 16.5098 13.1959 -9.36214 GPRESSAVG: 4791600 -69.3263 -0.907018 16.2649 -2.2795 56.5966 13.4964 17.4781 13.0897 -9.0535 TIMING: 4791600 CPU: 15449, 0.00311607/step Wall: 15449, 0.00311607/step, 0.180386 hours remaining, 236.355469 MB of memory in use. ENERGY: 4791600 4001.4520 20614.3967 14332.3707 247.4163 -203614.4044 2639.3622 0.0000 0.0000 51953.2082 -109826.1983 298.5758 -161779.4065 -109463.9257 298.7218 -22.5700 1.9656 760363.1916 -7.4164 -7.2611 PRESSURE: 4791800 -382.845 -46.721 79.3889 -46.7216 -225.365 55.268 79.3895 55.2678 -187.685 GPRESSURE: 4791800 -286.268 50.2393 62.8671 58.8075 -247.381 78.8404 84.7892 71.0729 -171.947 PRESSAVG: 4791800 12.799 -7.47789 -29.718 -7.47791 41.9143 14.7553 -29.718 14.7554 -12.2303 GPRESSAVG: 4791800 13.2123 -6.27965 -30.9856 -8.14729 41.201 13.1294 -29.7089 15.5401 -11.8104 TIMING: 4791800 CPU: 15449.6, 0.00311313/step Wall: 15449.6, 0.00311313/step, 0.180043 hours remaining, 236.355469 MB of memory in use. ENERGY: 4791800 3909.5325 20622.6646 14454.5891 247.2388 -203424.4122 2317.1755 0.0000 0.0000 51989.4252 -109883.7864 298.7839 -161873.2116 -109515.6451 299.1361 -265.2984 -235.1987 760785.4321 14.1610 14.2009 PRESSURE: 4792000 -5.51641 -0.66093 179.565 -0.661017 -240.985 88.0369 179.564 88.038 118.733 GPRESSURE: 4792000 45.1957 40.0761 138.772 -48.555 -237.455 71.5669 169.572 41.4595 146.32 PRESSAVG: 4792000 50.1728 -10.0253 -22.1666 -10.0253 -34.9742 -14.523 -22.1667 -14.5231 11.5591 GPRESSAVG: 4792000 51.2219 -12.0159 -21.3834 -8.95374 -35.9586 -13.9956 -23.6174 -15.0654 11.2229 TIMING: 4792000 CPU: 15450.2, 0.00311465/step Wall: 15450.2, 0.00311465/step, 0.179958 hours remaining, 236.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4792000 4013.7870 20639.4052 14437.1541 218.9913 -203464.1397 2548.1084 0.0000 0.0000 51902.6966 -109703.9971 298.2855 -161606.6937 -109335.2563 298.8012 -42.5897 -15.3132 759402.2655 8.9192 8.8288 PRESSURE: 4792200 86.098 -75.0803 148.99 -75.0801 -147.971 35.2827 148.991 35.2837 -174.047 GPRESSURE: 4792200 17.9309 -85.0274 128.55 -81.412 -23.6004 131.471 107.341 -90.9361 -136.017 PRESSAVG: 4792200 91.0316 -22.3365 2.1169 -22.3365 -89.5988 7.68228 2.1169 7.68236 -16.1673 GPRESSAVG: 4792200 89.3226 -20.1377 2.51239 -23.8024 -88.9172 7.19904 1.80704 8.88702 -15.938 TIMING: 4792200 CPU: 15450.8, 0.00314625/step Wall: 15450.8, 0.00314625/step, 0.181608 hours remaining, 236.355469 MB of memory in use. ENERGY: 4792200 3991.8187 20515.4723 14330.4973 255.3104 -203487.7131 2429.8224 0.0000 0.0000 52110.3116 -109854.4803 299.4787 -161964.7919 -109482.4179 298.8646 -78.6399 -47.2288 759372.2608 -4.9115 -5.1775 LDB: ============= START OF LOAD BALANCING ============== 15463.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15463.3 LDB: =============== DONE WITH MIGRATION ================ 15463.3 LDB: ============= START OF LOAD BALANCING ============== 15463.6 LDB: Largest compute 7074 load 0.032392 is 16.6% of average load 0.195615 LDB: Average compute 0.004382 is 2.2% of average load 0.195615 LDB: TIME 15463.6 LOAD: AVG 0.195615 MAX 0.214033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.777 MB LDB: TIME 15463.6 LOAD: AVG 0.195615 MAX 0.214033 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.777 MB LDB: TIME 15463.6 LOAD: AVG 0.195615 MAX 0.214033 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.777 MB LDB: ============== END OF LOAD BALANCING =============== 15463.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15463.6 PRESSURE: 4792400 -1.39947 -127.922 -30.5539 -127.922 -51.3257 28.9805 -30.5542 28.9805 79.2934 GPRESSURE: 4792400 66.8055 -114.419 -16.74 7.09887 4.55478 55.5963 30.2428 -36.4924 49.9954 PRESSAVG: 4792400 35.9649 10.4946 32.2341 10.4946 -27.9466 -62.6861 32.2342 -62.6862 -13.9934 GPRESSAVG: 4792400 36.0824 9.26695 32.6861 9.63257 -27.3219 -61.3621 31.6143 -65.007 -14.5465 TIMING: 4792400 CPU: 15451.5, 0.00319972/step Wall: 15451.5, 0.00319972/step, 0.184517 hours remaining, 234.625000 MB of memory in use. ENERGY: 4792400 4014.0803 20551.0876 14322.8991 255.9919 -203805.4321 2736.0252 0.0000 0.0000 51833.8336 -110091.5144 297.8898 -161925.3480 -109738.5005 299.0039 8.8561 40.4519 759928.2047 -1.9917 -1.9287 PRESSURE: 4792600 -189.924 -10.3613 -169.99 -10.3614 86.8921 -124.815 -169.991 -124.814 -94.7235 GPRESSURE: 4792600 -125.52 58.573 -114.125 69.9639 176.759 -206.641 -199.113 -182.921 -159.8 PRESSAVG: 4792600 11.9011 21.5334 1.81164 21.5334 -1.50512 15.6781 1.81162 15.6782 -5.07186 GPRESSAVG: 4792600 13.8576 22.836 2.27163 23.3799 -3.64066 16.8015 3.94038 16.7596 -5.00256 TIMING: 4792600 CPU: 15452.1, 0.00311579/step Wall: 15452.1, 0.00311579/step, 0.179504 hours remaining, 235.082031 MB of memory in use. ENERGY: 4792600 3972.7935 20497.6697 14380.1110 247.2854 -203992.3424 3010.2947 0.0000 0.0000 51900.2354 -109983.9526 298.2714 -161884.1880 -109615.6668 298.3646 -65.9185 -36.1870 759742.3724 1.7747 1.7381 PRESSURE: 4792800 143.629 241.656 4.1987 241.656 21.0222 -56.9937 4.19816 -56.9927 -74.8102 GPRESSURE: 4792800 233.3 1.34714 -12.6891 212.544 -7.52824 -185.458 -226.378 19.5935 -38.6902 PRESSAVG: 4792800 -0.604284 35.4621 -24.7558 35.4621 -48.6135 22.0326 -24.7558 22.0327 1.16804 GPRESSAVG: 4792800 -2.302 33.7168 -25.5166 34.6758 -47.2893 20.4667 -27.5953 21.4771 1.23251 TIMING: 4792800 CPU: 15452.7, 0.00312903/step Wall: 15452.7, 0.00312903/step, 0.180093 hours remaining, 235.097656 MB of memory in use. ENERGY: 4792800 3889.5313 20455.1187 14378.1179 252.5989 -203933.4080 2865.6929 0.0000 0.0000 52093.5450 -109998.8034 299.3823 -162092.3484 -109636.4642 298.0033 29.9470 62.3605 760390.1121 -16.0166 -16.1196 PRESSURE: 4793000 -72.834 -235.678 -196.735 -235.677 40.4318 67.9213 -196.736 67.9211 148.533 GPRESSURE: 4793000 -49.9902 -160.359 -176.658 -139.606 6.60265 -5.17977 -28.4272 125.576 240.512 PRESSAVG: 4793000 3.74526 -6.99528 13.5478 -6.99529 4.09895 -10.9579 13.5478 -10.9579 -2.51916 GPRESSAVG: 4793000 4.2825 -6.59822 13.0409 -6.10583 3.79012 -11.5868 15.2494 -8.83541 -2.80822 TIMING: 4793000 CPU: 15453.4, 0.00310926/step Wall: 15453.4, 0.00310926/step, 0.178783 hours remaining, 235.097656 MB of memory in use. ENERGY: 4793000 4017.0159 20408.8729 14480.5728 268.6113 -203849.2372 2747.2805 0.0000 0.0000 52181.1549 -109745.7289 299.8858 -161926.8838 -109375.4763 298.6125 38.7102 65.7082 761401.2807 1.7750 1.7548 PRESSURE: 4793200 216.241 -4.09149 -127.104 -4.09141 -305.227 -163.363 -127.104 -163.363 -681.136 GPRESSURE: 4793200 306.933 -10.847 -153.432 30.278 -269.315 -204.859 -107.055 -203.744 -724.286 PRESSAVG: 4793200 -12.3893 5.72377 3.88551 5.72379 -3.71345 16.4057 3.88549 16.4057 -15.2512 GPRESSAVG: 4793200 -12.7874 4.46418 3.74463 4.48204 -2.75784 16.3157 4.77127 13.9092 -15.858 TIMING: 4793200 CPU: 15454, 0.00311146/step Wall: 15454, 0.00311146/step, 0.178736 hours remaining, 235.097656 MB of memory in use. ENERGY: 4793200 4091.9561 20631.3993 14351.0185 252.3831 -203726.1764 2688.5385 0.0000 0.0000 52273.4152 -109437.4658 300.4160 -161710.8810 -109071.6879 298.9761 -256.7075 -228.8895 761936.4868 -10.4513 -10.4677 PRESSURE: 4793400 -45.0323 36.2988 27.8116 36.2986 -207.654 -84.3995 27.8124 -84.3991 176.263 GPRESSURE: 4793400 11.3325 18.7454 1.04276 54.5411 -122.556 -45.7596 1.33158 28.0662 116.742 PRESSAVG: 4793400 36.2895 36.7978 -7.40648 36.7978 -15.1715 11.5408 -7.40644 11.5408 39.068 GPRESSAVG: 4793400 36.3706 40.2322 -7.9522 36.3551 -14.7147 12.4408 -8.17968 11.6903 38.3844 TIMING: 4793400 CPU: 15454.6, 0.00312336/step Wall: 15454.6, 0.00312336/step, 0.179246 hours remaining, 235.097656 MB of memory in use. ENERGY: 4793400 3885.5977 20599.6575 14446.6696 238.3266 -203430.8803 2646.9641 0.0000 0.0000 51981.6395 -109632.0253 298.7392 -161613.6648 -109265.1085 299.5213 -25.4744 1.8393 761803.7110 20.0620 20.0134 PRESSURE: 4793600 175.399 120.609 -147.508 120.609 -79.5634 -151.656 -147.509 -151.656 -447.23 GPRESSURE: 4793600 96.4077 -9.39772 -115.277 158.682 -12.0707 -175.726 -7.10377 -102.445 -341.601 PRESSAVG: 4793600 30.9824 -4.53323 -4.5673 -4.53324 -40.321 -1.51446 -4.56726 -1.51447 30.3525 GPRESSAVG: 4793600 30.22 -8.3887 -2.2579 -1.78539 -41.6375 -1.77481 -4.40032 -1.93481 32.4623 TIMING: 4793600 CPU: 15455.2, 0.00311102/step Wall: 15455.2, 0.00311102/step, 0.178365 hours remaining, 235.097656 MB of memory in use. ENERGY: 4793600 4025.4971 20623.7663 14371.9107 258.8090 -203118.5196 2470.3155 0.0000 0.0000 51928.9456 -109439.2754 298.4364 -161368.2211 -109080.1597 298.7935 -117.1314 -85.7545 762356.1755 7.0046 7.0149 PRESSURE: 4793800 -160.191 -22.2922 -159.984 -22.2927 436.711 123.255 -159.984 123.254 255.381 GPRESSURE: 4793800 -107.293 -132.337 -152.893 -50.7884 355.066 14.8009 -215.76 95.6113 339.282 PRESSAVG: 4793800 -6.84751 42.2372 13.8803 42.2373 19.4927 -51.3713 13.8803 -51.3714 -16.326 GPRESSAVG: 4793800 -7.18642 44.9138 13.0676 38.9497 20.3552 -52.3285 13.0413 -49.319 -16.0516 TIMING: 4793800 CPU: 15455.8, 0.00310695/step Wall: 15455.8, 0.00310695/step, 0.177959 hours remaining, 235.097656 MB of memory in use. ENERGY: 4793800 3932.7747 20651.9426 14431.1347 251.9099 -203926.9036 3070.3836 0.0000 0.0000 52155.7024 -109433.0557 299.7395 -161588.7581 -109069.4688 299.5911 177.3002 195.6847 761510.8674 -1.2270 -0.9610 PRESSURE: 4794000 484.123 111.827 -130.954 111.828 -117.319 -124.4 -130.954 -124.4 109.527 GPRESSURE: 4794000 402.677 143.836 -18.6542 -51.7547 -53.9969 -131.31 -156.82 -19.4007 215.129 PRESSAVG: 4794000 -27.2892 -15.3763 -16.1273 -15.3763 5.99902 1.61616 -16.1273 1.61623 5.96639 GPRESSAVG: 4794000 -26.6119 -17.2476 -16.2608 -14.9443 5.76412 1.49747 -16.7837 1.09349 5.61631 TIMING: 4794000 CPU: 15456.5, 0.00311126/step Wall: 15456.5, 0.00311126/step, 0.178033 hours remaining, 235.097656 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: 4794000 3999.7054 20674.2023 14463.5970 215.7392 -203400.3609 2551.1788 0.0000 0.0000 52068.8934 -109427.0446 299.2406 -161495.9381 -109067.8373 299.0550 158.7771 187.9362 759571.5433 -5.1079 -5.0772 PRESSURE: 4794200 -227.196 -173.606 118.601 -173.606 222.33 -144.798 118.602 -144.798 -275.653 GPRESSURE: 4794200 -181.915 -61.6466 18.8185 -179.944 241.004 -138.707 64.4113 -196.397 -220.901 PRESSAVG: 4794200 -57.1275 -39.9279 1.99915 -39.9279 22.4689 -0.960863 1.99912 -0.960869 12.183 GPRESSAVG: 4794200 -56.9863 -38.5012 0.964038 -39.419 22.762 0.169213 3.7181 -1.70327 12.2808 TIMING: 4794200 CPU: 15457.1, 0.00312769/step Wall: 15457.1, 0.00312769/step, 0.178799 hours remaining, 235.097656 MB of memory in use. ENERGY: 4794200 4030.7951 20552.0208 14389.1367 238.1488 -203067.5952 2279.3552 0.0000 0.0000 52146.6330 -109431.5056 299.6874 -161578.1385 -109065.2178 299.6627 -93.5067 -53.9375 761309.5362 -7.4919 -7.3145 PRESSURE: 4794400 -187.688 73.7062 -1.62462 73.7061 16.107 31.8591 -1.62489 31.8596 43.6278 GPRESSURE: 4794400 -166.53 55.8569 38.4085 114.993 28.9084 26.0352 -50.6068 49.4516 95.6696 PRESSAVG: 4794400 0.72803 18.7609 27.5023 18.7609 12.2871 -24.397 27.5023 -24.397 17.4865 GPRESSAVG: 4794400 2.0775 18.6406 29.0506 18.8015 11.2718 -24.0659 24.1518 -24.8902 16.7405 TIMING: 4794400 CPU: 15457.7, 0.0031258/step Wall: 15457.7, 0.0031258/step, 0.178518 hours remaining, 235.097656 MB of memory in use. ENERGY: 4794400 3962.0279 20473.2734 14424.3038 256.8172 -203165.7509 2415.6966 0.0000 0.0000 52030.6380 -109602.9939 299.0208 -161633.6320 -109242.3268 299.3927 -42.6510 -13.9840 760356.2363 10.1672 10.0300 PRESSURE: 4794600 202.564 194.173 87.5555 194.173 265.027 -9.7792 87.5553 -9.77916 38.6456 GPRESSURE: 4794600 244.546 236.817 135.349 117.592 248.635 8.99516 38.9558 -15.428 92.1024 PRESSAVG: 4794600 7.13067 0.352947 -17.7461 0.352961 10.1661 -6.01942 -17.7462 -6.01941 0.868448 GPRESSAVG: 4794600 6.13021 -0.880093 -18.2828 0.118038 10.7504 -6.9211 -13.0505 -4.85297 1.74134 TIMING: 4794600 CPU: 15458.3, 0.00311186/step Wall: 15458.3, 0.00311186/step, 0.177549 hours remaining, 235.097656 MB of memory in use. ENERGY: 4794600 3947.3262 20557.5785 14425.8897 256.6614 -203549.1089 2677.8671 0.0000 0.0000 51987.2633 -109696.5226 298.7715 -161683.7860 -109341.3085 298.9709 168.7455 195.0944 759224.0097 6.0551 6.2073 PRESSURE: 4794800 -196.816 -362.716 155.683 -362.717 -619.372 23.9509 155.683 23.9508 -260.646 GPRESSURE: 4794800 -228.18 -374.125 169.292 -224.65 -490.63 -1.63239 -29.3725 -61.2996 -267.109 PRESSAVG: 4794800 -5.47103 -47.1273 14.0746 -47.1273 -4.67305 3.43104 14.0745 3.43107 -0.762354 GPRESSAVG: 4794800 -4.03066 -46.2889 13.4173 -47.7814 -4.73184 3.57655 11.9011 2.51065 -1.60425 TIMING: 4794800 CPU: 15459, 0.00310141/step Wall: 15459, 0.00310141/step, 0.176781 hours remaining, 235.097656 MB of memory in use. ENERGY: 4794800 4029.0758 20593.6233 14433.4635 242.6566 -203086.9068 2215.0788 0.0000 0.0000 51906.7331 -109666.2757 298.3087 -161573.0087 -109304.0452 298.9841 -358.9446 -328.6397 759365.1036 -3.6355 -3.4556 PRESSURE: 4795000 176.119 -231.505 53.5276 -231.505 -2.22013 -146.467 53.528 -146.467 306.811 GPRESSURE: 4795000 130.765 -168.328 57.4807 -158.683 93.9163 -177.112 33.1059 -148.896 326.943 PRESSAVG: 4795000 -27.0187 -11.3136 10.1671 -11.3135 -6.21906 36.5672 10.1671 36.5672 -4.00613 GPRESSAVG: 4795000 -28.1642 -13.2933 11.5545 -11.8265 -4.77439 36.4779 7.18233 36.226 -3.56969 TIMING: 4795000 CPU: 15459.6, 0.00312056/step Wall: 15459.6, 0.00312056/step, 0.177699 hours remaining, 235.097656 MB of memory in use. ENERGY: 4795000 3974.5906 20566.6892 14379.2617 238.9031 -203463.6956 2727.5920 0.0000 0.0000 51990.9945 -109585.6646 298.7930 -161576.6591 -109232.5717 299.0313 160.2364 183.8750 760227.2327 -12.4146 -12.1694 PRESSURE: 4795200 36.7354 74.9939 -45.5188 74.9931 -159.672 34.0621 -45.519 34.0625 -224.348 GPRESSURE: 4795200 88.4219 59.4853 -80.2364 10.2917 -142.92 49.3774 11.9471 -132.206 -209.724 PRESSAVG: 4795200 -26.3565 -43.1885 12.9433 -43.1885 5.81961 -23.581 12.9433 -23.581 13.8989 GPRESSAVG: 4795200 -25.6649 -42.7276 11.9724 -42.2272 5.44492 -25.6661 16.0989 -23.3118 13.5357 TIMING: 4795200 CPU: 15460.2, 0.00313476/step Wall: 15460.2, 0.00313476/step, 0.178333 hours remaining, 235.097656 MB of memory in use. ENERGY: 4795200 4079.3152 20514.8829 14461.3809 246.6116 -203799.4788 2619.9565 0.0000 0.0000 52181.6439 -109695.6878 299.8886 -161877.3317 -109330.0461 298.9573 -115.7616 -88.0742 759169.3039 -2.2126 -2.2281 PRESSURE: 4795400 237.319 204.174 -195.096 204.174 571.719 106.306 -195.096 106.304 204.763 GPRESSURE: 4795400 305.123 200.586 -60.9695 121.967 553.944 133.581 -258.862 190.979 249.223 PRESSAVG: 4795400 -17.9751 14.836 23.239 14.836 27.5538 13.6194 23.239 13.6194 -13.9044 GPRESSAVG: 4795400 -18.3713 15.3152 25.1233 15.267 26.0354 14.3086 21.7507 13.7408 -11.7766 TIMING: 4795400 CPU: 15460.8, 0.00313406/step Wall: 15460.8, 0.00313406/step, 0.178119 hours remaining, 235.097656 MB of memory in use. ENERGY: 4795400 3956.3681 20662.0646 14382.2237 241.8801 -203139.8127 2257.1193 0.0000 0.0000 52032.6210 -109607.5360 299.0322 -161640.1570 -109239.8873 299.2066 337.9340 369.4303 757924.3616 -1.4419 -1.3708 PRESSURE: 4795600 -81.016 -32.1469 -22.5527 -32.1458 -171.453 -174.165 -22.5533 -174.166 -460.337 GPRESSURE: 4795600 -52.403 -52.1636 93.7538 -31.5963 -156.793 -222.766 -27.0489 -104.916 -415.86 PRESSAVG: 4795600 21.8223 -30.2284 28.5133 -30.2285 -25.8577 -13.8751 28.5132 -13.8752 -8.16097 GPRESSAVG: 4795600 21.4647 -30.3488 28.5451 -29.5881 -25.3584 -12.5782 27.3843 -11.7157 -8.12809 TIMING: 4795600 CPU: 15461.5, 0.00312845/step Wall: 15461.5, 0.00312845/step, 0.177626 hours remaining, 235.097656 MB of memory in use. ENERGY: 4795600 3987.2098 20567.4122 14404.6047 259.0902 -203201.6310 2305.1227 0.0000 0.0000 52024.1421 -109654.0493 298.9835 -161678.1914 -109285.2407 299.1466 -237.6021 -208.3521 760463.1117 -4.0655 -4.0072 PRESSURE: 4795800 101.944 28.5006 42.4602 28.5003 -93.0552 113.942 42.4604 113.941 -333.623 GPRESSURE: 4795800 83.8462 -114.709 28.9812 -7.83337 -70.3825 95.5062 95.469 80.509 -252.443 PRESSAVG: 4795800 -46.8868 -29.9346 8.09248 -29.9345 42.963 -32.2041 8.09248 -32.2041 8.19715 GPRESSAVG: 4795800 -46.3586 -30.0409 7.34091 -30.7671 43.3269 -32.1593 10.6541 -33.6959 7.61003 TIMING: 4795800 CPU: 15462.1, 0.00311796/step Wall: 15462.1, 0.00311796/step, 0.176858 hours remaining, 235.097656 MB of memory in use. ENERGY: 4795800 3919.8017 20496.6947 14419.8732 265.8644 -203400.5181 2446.2991 0.0000 0.0000 51902.8247 -109949.1604 298.2862 -161851.9851 -109577.9721 298.2077 -108.2447 -79.6597 759064.6313 1.4244 1.5261 PRESSURE: 4796000 65.2229 -61.6799 287.47 -61.68 265.758 21.8812 287.471 21.8806 207.722 GPRESSURE: 4796000 86.838 -96.2776 332.523 -48.5069 361.784 -12.2077 255.325 -27.2739 170.74 PRESSAVG: 4796000 -0.683807 -42.9593 13.4855 -42.9594 10.2508 37.7401 13.4854 37.7401 25.1982 GPRESSAVG: 4796000 -0.399269 -42.1059 13.0566 -43.8278 9.48061 38.773 14.2117 37.4052 25.3116 TIMING: 4796000 CPU: 15462.7, 0.0031067/step Wall: 15462.7, 0.0031067/step, 0.176046 hours remaining, 235.097656 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: 4796000 3974.7060 20639.6049 14400.4078 210.9312 -203626.7792 2608.6348 0.0000 0.0000 51815.7967 -109976.6978 297.7861 -161792.4945 -109623.8177 297.9955 179.5677 206.4540 760564.6392 11.5884 11.4643 PRESSURE: 4796200 175.621 76.8201 101.702 76.8208 429.247 -181.11 101.702 -181.109 154.938 GPRESSURE: 4796200 253.24 91.8667 76.5626 45.1938 346.195 -159.303 -55.742 -157.478 228.075 PRESSAVG: 4796200 -5.49211 4.86253 1.10484 4.86252 -21.7275 22.0598 1.10482 22.0598 6.40754 GPRESSAVG: 4796200 -5.7069 6.96771 1.41774 5.2733 -21.462 20.4958 -0.418901 23.2671 6.12402 TIMING: 4796200 CPU: 15463.3, 0.00311086/step Wall: 15463.3, 0.00311086/step, 0.176109 hours remaining, 235.097656 MB of memory in use. ENERGY: 4796200 3964.9666 20568.2636 14360.4027 232.2226 -203903.4058 2726.5267 0.0000 0.0000 52148.7723 -109902.2513 299.6997 -162051.0236 -109538.3935 298.4250 253.2689 275.8368 758833.8502 -6.9373 -7.0150 LDB: ============= START OF LOAD BALANCING ============== 15475.7 LDB: ============== END OF LOAD BALANCING =============== 15475.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15475.7 LDB: ============= START OF LOAD BALANCING ============== 15476.1 LDB: Largest compute 7049 load 0.032633 is 16.7% of average load 0.195645 LDB: Average compute 0.004377 is 2.2% of average load 0.195645 LDB: TIME 15476.1 LOAD: AVG 0.195645 MAX 0.211673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.086 MB LDB: TIME 15476.1 LOAD: AVG 0.195645 MAX 0.211673 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 15476.1 LOAD: AVG 0.195645 MAX 0.211673 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 15476.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15476.1 PRESSURE: 4796400 202.928 126.103 46.2739 126.102 364.422 -145.288 46.2745 -145.288 -288.662 GPRESSURE: 4796400 273.966 164.84 84.1631 49.2111 377.441 -151.774 104.858 -134.181 -286.883 PRESSAVG: 4796400 -11.4848 -67.2624 40.1097 -67.2624 31.6087 3.81592 40.1096 3.81589 2.19529 GPRESSAVG: 4796400 -10.5698 -66.9661 40.9116 -66.6591 31.4819 3.5114 40.0907 3.24133 1.30581 TIMING: 4796400 CPU: 15464, 0.00316364/step Wall: 15464, 0.00316364/step, 0.178922 hours remaining, 236.937500 MB of memory in use. ENERGY: 4796400 3898.3279 20511.4080 14393.0335 248.8555 -203723.1879 2767.1014 0.0000 0.0000 52025.5899 -109878.8717 298.9918 -161904.4616 -109514.7489 298.5183 92.8963 121.5076 760500.8996 7.4397 7.4060 PRESSURE: 4796600 -16.5276 -110.773 -112.382 -110.774 79.5566 68.2823 -112.383 68.2822 -35.444 GPRESSURE: 4796600 33.1855 -9.44194 -61.5734 -173.528 91.7083 10.0865 -73.7616 4.65838 -4.81583 PRESSAVG: 4796600 26.0984 -44.8301 10.1056 -44.83 17.9233 14.9028 10.1056 14.9028 1.24927 GPRESSAVG: 4796600 25.8497 -46.8485 9.6441 -45.1972 17.8984 17.804 10.3119 13.2423 2.32395 TIMING: 4796600 CPU: 15464.6, 0.00311973/step Wall: 15464.6, 0.00311973/step, 0.176265 hours remaining, 236.937500 MB of memory in use. ENERGY: 4796600 3922.5505 20429.4610 14329.7514 235.9469 -203143.3387 2329.0291 0.0000 0.0000 52202.0176 -109694.5823 300.0057 -161896.5999 -109337.7076 298.9029 9.1950 40.0260 761305.8622 15.0903 15.3574 PRESSURE: 4796800 -110.41 -33.9532 27.079 -33.9526 -8.93289 36.0767 27.0798 36.0774 -119.602 GPRESSURE: 4796800 -87.156 1.37109 9.42217 -59.1024 54.4787 9.28514 -30.1635 -83.0584 -108.021 PRESSAVG: 4796800 -9.14943 -13.7448 -27.5875 -13.7448 38.0773 -48.093 -27.5875 -48.093 -8.94881 GPRESSAVG: 4796800 -9.69471 -14.4452 -28.6452 -13.659 38.1623 -48.7138 -28.0209 -48.1881 -9.19684 TIMING: 4796800 CPU: 15465.2, 0.00312527/step Wall: 15465.2, 0.00312527/step, 0.176404 hours remaining, 236.937500 MB of memory in use. ENERGY: 4796800 3986.8009 20582.7594 14397.9898 255.3534 -203203.0891 2271.5869 0.0000 0.0000 52192.6540 -109515.9447 299.9519 -161708.5987 -109168.2276 299.2082 -79.6483 -46.8994 759905.4163 6.6597 6.4236 PRESSURE: 4797000 216.688 -216.067 -356.038 -216.067 162.783 -161.796 -356.037 -161.795 243.408 GPRESSURE: 4797000 343.057 -308.389 -361.792 -218.665 119.707 -126.386 -293.793 -195.631 242.231 PRESSAVG: 4797000 47.7344 -52.0362 25.5662 -52.0362 -5.90259 -15.6548 25.5662 -15.6548 -7.97463 GPRESSAVG: 4797000 47.8708 -51.5763 26.2118 -51.3095 -5.79705 -16.963 26.2905 -15.8683 -8.5665 TIMING: 4797000 CPU: 15465.8, 0.00312364/step Wall: 15465.8, 0.00312364/step, 0.176138 hours remaining, 236.937500 MB of memory in use. ENERGY: 4797000 4071.7605 20538.4707 14336.8874 252.1946 -202919.7517 2310.7272 0.0000 0.0000 51930.2854 -109479.4258 298.4441 -161409.7112 -109122.2072 299.3349 207.6264 234.9983 760663.1681 11.2857 11.1691 PRESSURE: 4797200 8.2878 94.7039 -67.9981 94.7044 216.599 10.9122 -67.9987 10.9113 198.915 GPRESSURE: 4797200 91.5163 130.179 -52.7138 -51.1769 260.184 43.3075 -99.1646 163.864 165.122 PRESSAVG: 4797200 80.2452 -30.9697 -25.2454 -30.9697 -72.2897 12.3596 -25.2454 12.3597 -11.889 GPRESSAVG: 4797200 80.3876 -30.1466 -26.0486 -32.0844 -72.6761 13.9148 -26.1811 15.0308 -11.2784 TIMING: 4797200 CPU: 15466.5, 0.0031152/step Wall: 15466.5, 0.0031152/step, 0.17549 hours remaining, 236.937500 MB of memory in use. ENERGY: 4797200 3924.1812 20690.2730 14408.1172 245.9533 -203177.3798 2460.6594 0.0000 0.0000 51940.5457 -109507.6500 298.5030 -161448.1957 -109151.3297 298.8470 141.2671 172.2740 760554.1876 -1.3112 -1.1890 PRESSURE: 4797400 -334.621 -191.392 179.143 -191.393 -22.6078 2.89708 179.142 2.89798 158.457 GPRESSURE: 4797400 -290.954 -208.967 159.994 -91.6099 -26.4614 25.8846 160.404 -38.2764 204.365 PRESSAVG: 4797400 55.6242 -2.70684 -12.3186 -2.70688 4.30231 -1.56403 -12.3185 -1.56415 -7.8759 GPRESSAVG: 4797400 56.463 -4.10911 -10.8071 -2.56057 3.03389 -1.57912 -12.1515 -2.11394 -7.65178 TIMING: 4797400 CPU: 15467.1, 0.00312783/step Wall: 15467.1, 0.00312783/step, 0.176027 hours remaining, 236.937500 MB of memory in use. ENERGY: 4797400 3940.2210 20674.9880 14433.7109 236.8601 -202995.7968 2295.6427 0.0000 0.0000 52086.6266 -109327.7474 299.3426 -161414.3740 -108982.0149 299.5052 -66.2573 -37.6835 760034.8277 17.3502 17.2817 PRESSURE: 4797600 34.7822 171.344 13.6458 171.344 149.147 -209.43 13.6461 -209.43 148.554 GPRESSURE: 4797600 168.849 140.246 71.3592 83.9428 130.442 -261.763 -92.7155 -147.764 129.965 PRESSAVG: 4797600 84.5957 -43.5143 -6.57625 -43.5143 -11.0847 11.6271 -6.5762 11.6271 9.12422 GPRESSAVG: 4797600 83.9112 -44.7843 -7.3977 -40.9715 -9.82473 10.3422 -7.33477 10.7022 8.29944 TIMING: 4797600 CPU: 15467.7, 0.00312506/step Wall: 15467.7, 0.00312506/step, 0.175698 hours remaining, 236.937500 MB of memory in use. ENERGY: 4797600 4047.4557 20447.3342 14392.6024 233.2659 -203379.6585 2765.4446 0.0000 0.0000 52232.4339 -109261.1219 300.1805 -161493.5558 -108908.2162 300.1946 110.8279 143.0854 760200.9439 27.5451 27.4620 PRESSURE: 4797800 57.5318 -84.4101 26.6301 -84.4099 -100.6 26.6955 26.6296 26.6964 -43.7082 GPRESSURE: 4797800 100.528 -195.156 8.94515 -56.2212 -55.3644 -27.7531 -64.2526 63.9992 -60.1036 PRESSAVG: 4797800 38.0477 -30.8098 8.08736 -30.8098 -17.0594 -40.0584 8.08739 -40.0583 17.9963 GPRESSAVG: 4797800 38.0705 -29.7082 6.10895 -33.947 -17.8205 -39.4762 8.80364 -40.7183 18.2738 TIMING: 4797800 CPU: 15468.3, 0.00313198/step Wall: 15468.3, 0.00313198/step, 0.175913 hours remaining, 236.937500 MB of memory in use. ENERGY: 4797800 3914.2504 20414.1498 14400.0539 243.4533 -202907.9650 2273.8960 0.0000 0.0000 52361.1042 -109301.0574 300.9200 -161662.1616 -108940.1026 299.8069 -28.9255 -4.9799 760400.8684 12.9949 12.8412 PRESSURE: 4798000 -236.6 -147.733 61.5166 -147.733 258.445 124.626 61.5157 124.625 213.375 GPRESSURE: 4798000 -136.761 -133.107 112.748 -62.7674 262.327 186.24 201.023 154.583 206.809 PRESSAVG: 4798000 -9.84728 -22.9421 -31.1672 -22.9421 -18.7717 -11.8795 -31.1672 -11.8795 -17.4367 GPRESSAVG: 4798000 -9.86744 -23.945 -29.5907 -24.2496 -19.0598 -11.8175 -30.6111 -10.7275 -17.4907 TIMING: 4798000 CPU: 15469, 0.00311807/step Wall: 15469, 0.00311807/step, 0.174958 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4798000 4008.1490 20615.6571 14398.7876 267.6702 -203607.2920 2878.9128 0.0000 0.0000 52289.2020 -109148.9134 300.5068 -161438.1154 -108791.0830 299.9411 78.4067 110.7917 758769.2625 -15.3519 -15.4726 PRESSURE: 4798200 231.558 -109.44 -90.1638 -109.44 232.455 168.635 -90.1641 168.634 -313.633 GPRESSURE: 4798200 219.468 -78.7952 -109.783 -151.912 233.391 166.438 -164.045 86.8821 -219.917 PRESSAVG: 4798200 25.426 -26.7552 -46.4838 -26.7552 -7.78315 -67.4852 -46.4838 -67.4852 22.0382 GPRESSAVG: 4798200 25.9174 -26.2839 -46.3358 -24.566 -7.45559 -66.5499 -45.4443 -67.7875 21.6621 TIMING: 4798200 CPU: 15469.6, 0.00310784/step Wall: 15469.6, 0.00310784/step, 0.174212 hours remaining, 236.937500 MB of memory in use. ENERGY: 4798200 4018.0456 20639.9585 14416.7580 261.9265 -203276.1784 2638.1633 0.0000 0.0000 52226.8667 -109074.4599 300.1485 -161301.3266 -108709.8959 299.9632 50.1265 77.6475 758835.5006 13.2270 13.3746 PRESSURE: 4798400 69.9405 305.02 147.938 305.021 63.4827 71.1217 147.938 71.1207 225.954 GPRESSURE: 4798400 84.0949 256.679 51.5715 276.188 141.668 184.622 78.1121 49.6489 217.743 PRESSAVG: 4798400 20.8901 -35.2652 -23.4979 -35.2653 -53.1511 23.907 -23.4979 23.907 1.21636 GPRESSAVG: 4798400 19.6557 -35.3521 -21.7486 -34.3734 -51.623 24.4827 -25.9198 22.8977 1.78889 TIMING: 4798400 CPU: 15470.2, 0.003127/step Wall: 15470.2, 0.003127/step, 0.175112 hours remaining, 236.937500 MB of memory in use. ENERGY: 4798400 3944.2610 20410.6296 14462.0601 239.9506 -202866.3959 2348.9246 0.0000 0.0000 52460.2301 -109000.3398 301.4897 -161460.5700 -108628.1614 300.3051 119.7924 147.8352 760226.7903 -10.3482 -10.0595 PRESSURE: 4798600 -202.856 -131.202 -204.591 -131.202 -91.2317 2.69925 -204.592 2.69935 -61.5104 GPRESSURE: 4798600 -182.266 -100.396 -71.3684 -175.979 -37.1776 57.9823 -140.641 73.7609 -37.2756 PRESSAVG: 4798600 11.7087 -29.0916 -23.3879 -29.0916 12.4088 -23.681 -23.3879 -23.681 7.37204 GPRESSAVG: 4798600 11.2667 -30.4173 -23.0827 -30.1307 13.1946 -25.3153 -23.2906 -20.8907 7.16516 TIMING: 4798600 CPU: 15470.8, 0.00311861/step Wall: 15470.8, 0.00311862/step, 0.174469 hours remaining, 236.937500 MB of memory in use. ENERGY: 4798600 4006.5669 20699.0693 14501.0363 259.0574 -203084.8433 2647.7404 0.0000 0.0000 52152.1724 -108819.2007 299.7193 -160971.3730 -108458.9911 300.6440 -118.5326 -85.5729 760009.8394 10.4965 10.5422 PRESSURE: 4798800 -66.6268 -36.7295 -295.429 -36.7301 -271.835 35.1762 -295.429 35.1754 -330.735 GPRESSURE: 4798800 -66.0128 -68.7207 -299.316 -49.0951 -282.453 24.7482 -303.492 -11.5229 -220.68 PRESSAVG: 4798800 -22.368 5.98315 -23.7719 5.98312 6.87467 -22.8556 -23.7719 -22.8555 -11.7146 GPRESSAVG: 4798800 -21.5195 8.8582 -25.3041 5.7821 4.61685 -22.1426 -23.0414 -24.1281 -10.5763 TIMING: 4798800 CPU: 15471.5, 0.00311576/step Wall: 15471.5, 0.00311576/step, 0.174136 hours remaining, 236.937500 MB of memory in use. ENERGY: 4798800 4030.7361 20524.7879 14478.1112 239.0901 -203009.1048 2362.5020 0.0000 0.0000 52314.0936 -109059.7839 300.6498 -161373.8775 -108703.9285 300.5836 -223.0658 -189.7150 761548.2737 -9.0693 -9.1597 PRESSURE: 4799000 9.1358 -135.206 116.94 -135.206 62.021 -2.83374 116.939 -2.8336 -90.7922 GPRESSURE: 4799000 54.7525 -165.418 197.831 -27.7047 88.7435 21.6866 48.9093 -27.6337 -60.8855 PRESSAVG: 4799000 -17.4258 -61.7973 27.575 -61.7973 7.28426 -3.17402 27.575 -3.17402 23.4205 GPRESSAVG: 4799000 -16.4859 -62.628 27.4071 -61.9093 7.72087 -3.57207 25.7012 -3.29601 22.285 TIMING: 4799000 CPU: 15472.1, 0.00310183/step Wall: 15472.1, 0.00310183/step, 0.173185 hours remaining, 236.937500 MB of memory in use. ENERGY: 4799000 4024.2288 20736.7562 14409.4877 242.1618 -203066.1969 2427.7387 0.0000 0.0000 52095.1853 -109130.6384 299.3917 -161225.8237 -108772.1880 300.2582 -6.5452 27.5368 761815.2849 4.4263 4.5067 PRESSURE: 4799200 -254.189 36.5764 -79.3902 36.576 -64.2062 279.471 -79.3906 279.471 113.198 GPRESSURE: 4799200 -195.387 98.7683 -70.7205 186.121 -9.5226 262.372 -3.80611 253.356 91.3974 PRESSAVG: 4799200 28.4888 0.621596 41.7959 0.621579 -23.5072 51.6814 41.7959 51.6814 29.342 GPRESSAVG: 4799200 27.9401 0.0289178 41.2566 1.67791 -23.3635 50.5338 44.1878 51.2074 29.5258 TIMING: 4799200 CPU: 15472.7, 0.0031165/step Wall: 15472.7, 0.0031165/step, 0.173831 hours remaining, 236.937500 MB of memory in use. ENERGY: 4799200 4010.9915 20813.8445 14465.6446 243.7762 -202743.1304 2074.0924 0.0000 0.0000 51898.8384 -109235.9429 298.2633 -161134.7813 -108876.0790 300.4521 -68.3988 -37.8375 760673.1771 11.4412 11.3675 PRESSURE: 4799400 -189.391 47.4768 228.52 47.4765 84.1572 53.3722 228.519 53.3715 -20.7946 GPRESSURE: 4799400 -78.4506 70.6946 154.331 29.7746 89.2511 117.802 182.416 91.4895 -45.2884 PRESSAVG: 4799400 -8.00438 -63.0633 13.8133 -63.0632 -0.0592297 40.6212 13.8133 40.6212 -4.81539 GPRESSAVG: 4799400 -8.41699 -64.6403 13.8088 -63.6856 0.630859 42.7718 13.7379 39.2349 -4.81106 TIMING: 4799400 CPU: 15473.3, 0.00310888/step Wall: 15473.3, 0.00310888/step, 0.173234 hours remaining, 236.937500 MB of memory in use. ENERGY: 4799400 3937.7776 20575.2509 14491.2381 232.1296 -203099.9322 2473.5540 0.0000 0.0000 52229.2361 -109160.7458 300.1621 -161389.9819 -108799.8019 300.2537 -42.0094 -11.4960 759313.7118 -4.2930 -4.1991 PRESSURE: 4799600 99.2854 68.2279 -9.6963 68.2278 228.007 71.8795 -9.696 71.8792 369.867 GPRESSURE: 4799600 105.792 114.487 12.6743 56.2238 247.266 148.668 -78.4547 150.656 433.296 PRESSAVG: 4799600 -55.4038 2.40709 32.1731 2.40709 61.14 3.6092 32.1731 3.60921 11.6088 GPRESSAVG: 4799600 -54.9561 4.40769 33.3822 1.18571 60.4886 3.16387 30.2853 3.94441 11.754 TIMING: 4799600 CPU: 15473.9, 0.00310304/step Wall: 15473.9, 0.00310304/step, 0.172736 hours remaining, 236.937500 MB of memory in use. ENERGY: 4799600 3976.1602 20515.4192 14455.1164 256.0260 -203432.3877 2547.8248 0.0000 0.0000 52202.8372 -109479.0039 300.0104 -161681.8411 -109111.1519 299.8807 232.3864 262.1180 760136.9415 5.7816 5.7622 PRESSURE: 4799800 272.964 189.525 14.8704 189.525 -53.8097 64.2165 14.8702 64.2155 158.094 GPRESSURE: 4799800 278.055 99.2569 2.9883 165.415 48.1836 41.4926 42.0213 48.2072 127.421 PRESSAVG: 4799800 -56.7485 -5.44471 46.3532 -5.4447 -6.99813 6.98603 46.3532 6.98606 -13.2335 GPRESSAVG: 4799800 -57.0913 -8.46661 46.5942 -2.32393 -5.49738 6.18733 47.4285 9.22459 -13.7851 TIMING: 4799800 CPU: 15474.6, 0.00310266/step Wall: 15474.6, 0.00310266/step, 0.172542 hours remaining, 236.937500 MB of memory in use. ENERGY: 4799800 3950.7294 20535.6440 14426.6795 250.4407 -203466.3308 2686.5322 0.0000 0.0000 52145.9188 -109470.3863 299.6833 -161616.3050 -109109.0637 299.5776 125.7495 151.2201 759860.3704 -25.6601 -25.4579 WRITING COORDINATES TO DCD FILE MD.4.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: 4800000 -295.603 -24.8013 -102.872 -24.8014 -345.758 -106.822 -102.872 -106.822 -287.129 GPRESSURE: 4800000 -260.308 -64.0022 -106.238 88.2041 -274.789 -49.9224 -184.82 -144.533 -306.341 PRESSAVG: 4800000 -0.244967 -28.8601 14.4436 -28.86 -1.76088 33.1752 14.4436 33.1752 -14.4022 GPRESSAVG: 4800000 -0.171107 -26.8285 13.6996 -30.7612 -1.9953 34.3586 14.53 31.7286 -14.166 TIMING: 4800000 CPU: 15475.3, 0.00351177/step Wall: 15475.3, 0.00351177/step, 0.195098 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4800000 3923.9011 20476.8736 14343.2689 260.5026 -203117.6702 2218.6060 0.0000 0.0000 52195.1099 -109699.4082 299.9660 -161894.5181 -109335.2666 299.2310 -309.4966 -280.4793 760990.4002 -5.4693 -5.4441 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 PRESSURE: 4800200 -34.1782 78.4396 -64.9228 78.4399 216.384 297.116 -64.9238 297.116 157.788 GPRESSURE: 4800200 40.6288 13.0037 -111.911 73.1409 252.313 294.651 -3.07261 287.548 149.156 PRESSAVG: 4800200 -18.3884 -47.2003 -2.27315 -47.2002 34.7099 4.11561 -2.2731 4.11563 -9.07791 GPRESSAVG: 4800200 -17.4454 -46.8317 -3.6572 -46.3613 33.7543 2.97181 -3.8953 4.04098 -8.73701 TIMING: 4800200 CPU: 15475.9, 0.00313405/step Wall: 15475.9, 0.00313405/step, 0.17394 hours remaining, 236.937500 MB of memory in use. ENERGY: 4800200 3964.3146 20330.1414 14470.4789 224.3100 -203085.2811 2612.7365 0.0000 0.0000 52078.5932 -109404.7065 299.2964 -161483.2997 -109038.5098 299.2530 113.3316 147.3658 760334.0087 2.4145 2.5240 LDB: ============= START OF LOAD BALANCING ============== 15488.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15488.3 LDB: =============== DONE WITH MIGRATION ================ 15488.3 LDB: ============= START OF LOAD BALANCING ============== 15488.6 LDB: Largest compute 7074 load 0.031615 is 16.2% of average load 0.195553 LDB: Average compute 0.004397 is 2.2% of average load 0.195553 LDB: TIME 15488.6 LOAD: AVG 0.195553 MAX 0.215856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 15488.6 LOAD: AVG 0.195553 MAX 0.215856 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: TIME 15488.6 LOAD: AVG 0.195553 MAX 0.215856 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: ============== END OF LOAD BALANCING =============== 15488.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15488.6 PRESSURE: 4800400 -2.20988 -201.219 115.62 -201.219 -10.1886 177.58 115.619 177.58 258.987 GPRESSURE: 4800400 -24.3136 -178.7 125.104 -41.9303 179.062 267.755 149.802 92.0847 178.195 PRESSAVG: 4800400 11.0987 -12.4408 6.73527 -12.4408 -13.3613 3.32106 6.73531 3.321 -4.84754 GPRESSAVG: 4800400 10.9475 -13.4984 8.04264 -12.3083 -11.9674 3.01726 8.25575 3.92739 -6.07907 TIMING: 4800400 CPU: 15476.5, 0.00319326/step Wall: 15476.5, 0.00319326/step, 0.177049 hours remaining, 234.414062 MB of memory in use. ENERGY: 4800400 3996.1368 20596.7737 14411.5193 258.2615 -203393.0186 2490.6526 0.0000 0.0000 52215.5444 -109424.1303 300.0835 -161639.6747 -109066.7001 298.9897 82.1962 110.9811 759445.3643 -2.3700 -2.3663 PRESSURE: 4800600 161.554 -4.43034 85.6018 -4.43037 97.3409 -20.8087 85.6009 -20.8086 333.195 GPRESSURE: 4800600 202.946 10.6693 106.586 -9.55305 174.985 -15.5029 -3.21118 -54.8727 312.19 PRESSAVG: 4800600 -31.6189 -22.5885 5.16659 -22.5885 -9.84073 -12.0763 5.16657 -12.0763 29.0498 GPRESSAVG: 4800600 -31.6743 -21.0433 3.80105 -23.6633 -10.93 -11.9685 3.0323 -11.2549 30.0634 TIMING: 4800600 CPU: 15477.1, 0.00311847/step Wall: 15477.1, 0.00311848/step, 0.172729 hours remaining, 234.894531 MB of memory in use. ENERGY: 4800600 4049.6694 20367.0081 14440.4739 259.3841 -203509.2912 2654.0848 0.0000 0.0000 52485.7697 -109252.9013 301.6364 -161738.6709 -108887.5211 299.6716 197.3634 230.0402 758940.8896 -4.1366 -4.1803 PRESSURE: 4800800 518.859 95.6455 -212.845 95.646 -102.672 11.8195 -212.845 11.8189 86.7757 GPRESSURE: 4800800 448.524 55.9845 -199.883 31.085 -33.1011 -56.6165 -60.1994 104.647 155.258 PRESSAVG: 4800800 -3.06529 -49.9213 -19.4077 -49.9213 13.7339 26.9106 -19.4077 26.9107 -0.116302 GPRESSAVG: 4800800 -3.87474 -49.7833 -18.9413 -50.157 14.3406 27.4587 -16.8115 27.7639 -0.110846 TIMING: 4800800 CPU: 15477.8, 0.00311754/step Wall: 15477.8, 0.00311754/step, 0.172504 hours remaining, 234.894531 MB of memory in use. ENERGY: 4800800 3974.4578 20597.6316 14379.7092 215.9150 -203355.9836 2442.9917 0.0000 0.0000 52267.1139 -109478.1644 300.3798 -161745.2782 -109110.9171 299.6714 167.6540 190.2270 759193.3764 3.5174 3.4517 PRESSURE: 4801000 -268.668 -85.3046 -65.5171 -85.304 22.0135 -113.896 -65.5167 -113.896 -128.215 GPRESSURE: 4801000 -241.908 -38.8962 -82.9389 10.313 76.8903 -68.5801 -146.878 -111.909 -115.693 PRESSAVG: 4801000 66.0822 -5.59563 -39.3698 -5.59555 -36.7255 -6.83078 -39.3697 -6.83079 16.8384 GPRESSAVG: 4801000 65.846 -4.7109 -40.5788 -5.36113 -36.5468 -5.36619 -40.4035 -10.5212 16.2248 TIMING: 4801000 CPU: 15478.4, 0.00311299/step Wall: 15478.4, 0.00311299/step, 0.172079 hours remaining, 235.097656 MB of memory in use. ENERGY: 4801000 3948.3821 20463.0710 14458.4100 254.4902 -203249.6264 2402.9363 0.0000 0.0000 52106.0414 -109616.2953 299.4541 -161722.3367 -109250.3069 298.6430 -124.9563 -93.5702 759533.5509 15.3984 15.1747 PRESSURE: 4801200 -178.958 -124.715 28.4929 -124.715 102.492 -110.214 28.4927 -110.214 -169.026 GPRESSURE: 4801200 -59.1968 -68.4895 0.960616 -110.325 2.91434 -99.5657 9.33612 23.9195 -99.3725 PRESSAVG: 4801200 10.5745 -9.20311 -14.83 -9.20316 9.15518 56.1902 -14.8299 56.1902 12.8041 GPRESSAVG: 4801200 11.6122 -10.6962 -13.7363 -9.52554 9.13176 53.63 -14.1952 58.9299 12.0953 TIMING: 4801200 CPU: 15479, 0.0031212/step Wall: 15479, 0.0031212/step, 0.172359 hours remaining, 235.097656 MB of memory in use. ENERGY: 4801200 3982.2172 20438.2390 14473.3692 228.5754 -203243.2164 2335.6391 0.0000 0.0000 52002.2622 -109782.9143 298.8577 -161785.1765 -109416.7328 299.2396 -81.8308 -51.8850 759571.8648 10.8446 10.9464 PRESSURE: 4801400 -309.975 -143.131 -203.911 -143.131 25.1036 -191.845 -203.911 -191.845 -258.795 GPRESSURE: 4801400 -225.165 -95.6692 -115.792 -134.664 76.8058 -137.531 -94.0018 -172.068 -325.366 PRESSAVG: 4801400 44.6826 -63.8011 -6.35772 -63.8011 -35.6733 10.8417 -6.35768 10.8417 4.39675 GPRESSAVG: 4801400 42.8279 -63.902 -6.07814 -63.5201 -36.697 11.5893 -9.67409 9.14457 6.64665 TIMING: 4801400 CPU: 15479.6, 0.00312471/step Wall: 15479.6, 0.00312471/step, 0.17238 hours remaining, 235.097656 MB of memory in use. ENERGY: 4801400 3970.1789 20408.5156 14384.8084 255.3583 -203391.4614 2295.9301 0.0000 0.0000 52151.2926 -109925.3774 299.7142 -162076.6700 -109556.0190 298.5662 -181.2221 -157.9083 759214.1110 4.4687 4.2592 PRESSURE: 4801600 -135.087 -81.7903 -99.1573 -81.7901 -372.501 -220.425 -99.157 -220.424 -37.5235 GPRESSURE: 4801600 -100.567 -62.6325 -104.392 -110.334 -265.134 -180.016 -89.1211 -111.707 -65.3019 PRESSAVG: 4801600 25.2792 -6.97415 14.2346 -6.97417 -30.4674 -12.9689 14.2347 -12.9688 11.3338 GPRESSAVG: 4801600 25.7941 -6.28729 14.3313 -6.81978 -28.8109 -12.659 14.6563 -11.8681 9.07822 TIMING: 4801600 CPU: 15480.3, 0.00314422/step Wall: 15480.3, 0.00314422/step, 0.173281 hours remaining, 235.097656 MB of memory in use. ENERGY: 4801600 4034.7218 20514.0740 14438.9236 248.3886 -203517.4679 2468.1059 0.0000 0.0000 52077.4054 -109735.8486 299.2896 -161813.2541 -109364.2997 298.6940 -181.7039 -143.6675 759554.1589 2.0485 2.0205 PRESSURE: 4801800 1.99012 -146.257 -140.814 -146.256 -95.9504 174.059 -140.815 174.06 -360.674 GPRESSURE: 4801800 105.341 -66.9932 -113.626 -188.935 -101.442 89.6185 -228.061 188.012 -357.032 PRESSAVG: 4801800 13.4446 -30.3016 -31.8309 -30.3015 -36.2383 6.30689 -31.8308 6.30688 1.94162 GPRESSAVG: 4801800 12.984 -31.4239 -33.1698 -31.0759 -37.5777 5.62156 -29.3906 7.01992 2.91633 TIMING: 4801800 CPU: 15480.9, 0.00315535/step Wall: 15480.9, 0.00315536/step, 0.17372 hours remaining, 235.097656 MB of memory in use. ENERGY: 4801800 3948.1295 20600.1169 14473.5480 254.6511 -203540.3617 2539.4065 0.0000 0.0000 51933.8314 -109790.6783 298.4644 -161724.5097 -109428.3019 298.3725 -151.5448 -117.7111 760808.1820 -6.9507 -7.2258 PRESSURE: 4802000 -410.86 -151.619 207.834 -151.62 -191.753 -137.881 207.835 -137.883 -43.3353 GPRESSURE: 4802000 -358.357 -198.667 177.463 -141.534 -199.303 -117.675 190.078 -131.324 -7.51549 PRESSAVG: 4802000 54.0283 23.5519 0.557609 23.5519 -45.6899 -43.2152 0.55761 -43.2152 11.8376 GPRESSAVG: 4802000 54.5017 25.0597 1.27394 24.8796 -45.823 -42.4004 -0.806902 -45.1214 11.2596 TIMING: 4802000 CPU: 15481.5, 0.00312652/step Wall: 15481.5, 0.00312652/step, 0.171959 hours remaining, 235.097656 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: 4802000 4047.5631 20418.0098 14432.3958 251.8602 -203520.2194 2347.4952 0.0000 0.0000 52141.7737 -109881.1216 299.6595 -162022.8953 -109512.8418 298.7406 -215.3158 -188.3919 760571.7884 6.7253 6.6461 PRESSURE: 4802200 3.51877 -38.8312 -108.066 -38.8321 -77.2819 -169.703 -108.066 -169.702 54.8583 GPRESSURE: 4802200 42.5803 110.178 -85.8263 -46.3423 -54.5464 -89.6594 -126.882 -276.777 67.3963 PRESSAVG: 4802200 67.8264 -28.9201 -5.3578 -28.9201 -54.9394 -6.68015 -5.35785 -6.6801 0.107842 GPRESSAVG: 4802200 67.4415 -30.1424 -5.81914 -29.5557 -54.3414 -5.57565 -4.52106 -4.79134 -0.00156791 TIMING: 4802200 CPU: 15482.2, 0.00313057/step Wall: 15482.2, 0.00313057/step, 0.172008 hours remaining, 235.097656 MB of memory in use. ENERGY: 4802200 4020.7673 20585.1551 14367.6884 236.1476 -204025.7148 2797.7897 0.0000 0.0000 52013.2529 -110004.9137 298.9209 -162018.1666 -109639.3889 298.7297 -6.3016 18.4768 759057.1582 4.3316 4.3662 PRESSURE: 4802400 -21.6303 -112.187 -186.774 -112.186 78.5759 68.398 -186.774 68.3971 -259.536 GPRESSURE: 4802400 16.2595 -170.894 -82.467 -141.465 181.222 115.548 -288.555 -53.268 -289.903 PRESSAVG: 4802400 14.0979 -8.3923 18.1444 -8.39223 -16.5624 -24.1109 18.1444 -24.111 7.93897 GPRESSAVG: 4802400 13.7665 -8.57939 19.4253 -9.24663 -16.7708 -24.0781 16.2183 -27.5924 8.67081 TIMING: 4802400 CPU: 15482.8, 0.00312684/step Wall: 15482.8, 0.00312684/step, 0.171629 hours remaining, 235.097656 MB of memory in use. ENERGY: 4802400 3972.3372 20387.1558 14397.5371 247.5798 -203270.9106 2507.1680 0.0000 0.0000 51929.3097 -109829.8232 298.4385 -161759.1328 -109464.4022 298.3368 -67.5303 -30.8070 761111.4077 1.8248 1.8889 PRESSURE: 4802600 -45.5519 -121.094 -34.724 -121.094 -143.309 -31.6517 -34.7239 -31.6517 120.144 GPRESSURE: 4802600 22.8973 -123.855 5.3122 -155.401 -116.553 -84.3625 23.1854 92.6463 108.462 PRESSAVG: 4802600 31.336 -26.4612 4.24422 -26.4612 -14.9502 33.3528 4.24412 33.3528 -7.64309 GPRESSAVG: 4802600 32.3694 -27.3029 2.35098 -23.9126 -15.9312 29.9923 7.13518 36.1245 -8.2598 TIMING: 4802600 CPU: 15483.4, 0.00311764/step Wall: 15483.4, 0.00311764/step, 0.17095 hours remaining, 235.097656 MB of memory in use. ENERGY: 4802600 4065.0494 20492.5250 14438.6615 256.0257 -203647.7964 2441.0892 0.0000 0.0000 51980.5323 -109973.9133 298.7328 -161954.4455 -109608.2247 298.9095 -22.9054 4.9357 760318.8212 2.9143 2.7261 PRESSURE: 4802800 -387.637 28.5438 84.7516 28.5431 -85.0348 -30.9435 84.7523 -30.9437 -227.931 GPRESSURE: 4802800 -356.002 63.616 95.789 -29.8444 -42.5945 93.6912 119.622 -45.0876 -204.48 PRESSAVG: 4802800 -49.2678 2.88762 -13.778 2.88747 16.1953 -5.06726 -13.778 -5.06728 -24.5867 GPRESSAVG: 4802800 -50.3483 4.70471 -11.6127 2.87117 16.5487 -4.62343 -15.1255 -4.45879 -24.1692 TIMING: 4802800 CPU: 15484, 0.00310939/step Wall: 15484, 0.00310939/step, 0.170325 hours remaining, 235.097656 MB of memory in use. ENERGY: 4802800 4061.9001 20583.3807 14475.6695 243.6320 -203375.3332 2319.2081 0.0000 0.0000 51989.1916 -109702.3511 298.7826 -161691.5427 -109350.7142 299.0341 -233.5343 -201.0258 760760.9345 -19.2197 -19.3230 PRESSURE: 4803000 41.6125 -260.63 -120.136 -260.63 -476.017 -125.42 -120.138 -125.421 104.579 GPRESSURE: 4803000 30.0671 -133.817 -215.24 -232.475 -351.254 -120.717 110.022 -72.8926 83.9074 PRESSAVG: 4803000 14.3275 -24.2555 -1.44599 -24.2555 0.0874221 -74.6835 -1.44606 -74.6835 -4.31014 GPRESSAVG: 4803000 15.1963 -24.4413 -1.21098 -26.6043 0.617864 -73.396 -0.254897 -76.0943 -5.85521 TIMING: 4803000 CPU: 15484.7, 0.00312523/step Wall: 15484.7, 0.00312523/step, 0.171019 hours remaining, 235.097656 MB of memory in use. ENERGY: 4803000 3959.7257 20571.8062 14497.8305 236.7963 -203355.1900 2275.6747 0.0000 0.0000 52163.0086 -109650.3479 299.7815 -161813.3565 -109271.9697 299.9197 -109.9416 -79.0931 760042.6628 3.3682 3.3197 PRESSURE: 4803200 72.5037 -51.7859 -74.6508 -51.786 77.7385 29.879 -74.651 29.8794 348.759 GPRESSURE: 4803200 197.743 -49.5452 -74.9718 -35.2343 123.631 -9.50199 -188.023 3.99957 278.93 PRESSAVG: 4803200 58.9421 -53.2496 -0.361248 -53.2496 -24.4519 -82.7527 -0.361282 -82.7526 -7.41 GPRESSAVG: 4803200 58.6975 -52.2105 -2.26117 -53.4781 -25.5225 -84.5602 -0.975696 -80.3623 -6.02501 TIMING: 4803200 CPU: 15485.3, 0.00310722/step Wall: 15485.3, 0.00310722/step, 0.169862 hours remaining, 235.097656 MB of memory in use. ENERGY: 4803200 3938.8447 20611.0850 14376.9962 253.2943 -203860.3646 2758.3544 0.0000 0.0000 52108.3632 -109813.4269 299.4675 -161921.7900 -109446.1987 299.1473 166.3336 200.1014 760132.4066 9.0267 9.0500 PRESSURE: 4803400 145.962 73.7596 -25.4671 73.7598 18.4666 95.6924 -25.4679 95.6927 -71.7391 GPRESSURE: 4803400 117.358 67.5631 -88.7075 88.9097 113.029 234.854 -53.9181 152.397 -57.061 PRESSAVG: 4803400 11.3786 -29.7869 -53.4956 -29.7869 2.62897 -12.1581 -53.4956 -12.1581 4.47176 GPRESSAVG: 4803400 11.6246 -30.9553 -53.203 -28.1789 1.41981 -10.5107 -55.0531 -12.1384 5.42697 TIMING: 4803400 CPU: 15485.9, 0.0031318/step Wall: 15485.9, 0.0031318/step, 0.171031 hours remaining, 235.097656 MB of memory in use. ENERGY: 4803400 3967.1017 20618.6425 14496.0259 255.7429 -203754.0062 2556.9344 0.0000 0.0000 51996.2612 -109863.2974 298.8232 -161859.5587 -109503.1262 299.2796 30.8965 57.7755 759810.8411 6.1598 6.1571 PRESSURE: 4803600 35.1928 -64.7398 -18.0258 -64.74 -25.8376 -99.9352 -18.026 -99.9344 411.725 GPRESSURE: 4803600 51.0369 -94.8815 -6.99035 67.2842 -27.5157 2.44122 59.0382 -71.5122 477.831 PRESSAVG: 4803600 3.04546 3.82553 -3.28644 3.82555 -33.4635 36.3155 -3.2864 36.3154 -25.9143 GPRESSAVG: 4803600 2.38177 4.98213 -3.36466 2.97389 -31.8145 37.7948 -2.74197 33.5829 -27.1375 TIMING: 4803600 CPU: 15486.5, 0.00311937/step Wall: 15486.5, 0.00311937/step, 0.170179 hours remaining, 235.097656 MB of memory in use. ENERGY: 4803600 3994.0338 20580.2062 14347.9573 263.0502 -203741.6480 2458.2855 0.0000 0.0000 52120.9715 -109977.1436 299.5399 -162098.1151 -109610.6047 299.0303 140.3602 167.1173 760732.8535 -18.7774 -18.8567 PRESSURE: 4803800 160.728 -70.5409 -200.096 -70.54 -110.827 54.715 -200.097 54.7156 96.7445 GPRESSURE: 4803800 209.615 7.81586 -87.6506 -23.8209 -89.6425 -55.7106 -165.605 93.8291 120.33 PRESSAVG: 4803800 -49.8705 -36.0356 6.25947 -36.0356 -26.4353 -59.2428 6.25947 -59.2428 0.907302 GPRESSAVG: 4803800 -50.2761 -36.8696 8.04122 -36.5916 -27.3038 -61.1839 4.00348 -56.9878 1.81147 TIMING: 4803800 CPU: 15487.1, 0.00313069/step Wall: 15487.1, 0.00313069/step, 0.170623 hours remaining, 235.097656 MB of memory in use. ENERGY: 4803800 3963.6958 20503.5814 14482.4641 257.1752 -204253.9524 2924.7718 0.0000 0.0000 52206.0974 -109916.1666 300.0292 -162122.2640 -109558.2829 299.1877 48.8817 80.1008 759084.9065 -25.1328 -25.2561 PRESSURE: 4804000 -122.958 -31.6483 328.391 -31.6494 -46.0996 -91.6786 328.391 -91.6793 -116.383 GPRESSURE: 4804000 -141.829 -11.7001 313.055 6.46265 27.0473 -66.3453 258.43 -163.056 -96.2166 PRESSAVG: 4804000 11.105 6.44375 67.7987 6.44375 23.9694 12.4741 67.7987 12.4742 -15.1702 GPRESSAVG: 4804000 11.7515 7.23019 66.1114 5.41248 24.0865 12.7417 71.2636 11.1635 -16.433 TIMING: 4804000 CPU: 15487.8, 0.00313125/step Wall: 15487.8, 0.00313125/step, 0.170479 hours remaining, 235.097656 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: 4804000 4007.4704 20677.0283 14422.7945 253.8374 -203444.8589 2307.1531 0.0000 0.0000 52179.4008 -109597.1743 299.8757 -161776.5751 -109231.2702 299.3793 -95.1467 -70.3327 760982.1038 6.6347 6.4683 PRESSURE: 4804200 -183.009 4.67242 -29.9324 4.67191 -257.07 14.2983 -29.9313 14.2993 -75.6893 GPRESSURE: 4804200 -163.701 205.006 -77.0676 -82.5001 -225.654 41.6003 61.721 -0.402296 -57.7216 PRESSAVG: 4804200 -29.1363 -0.714062 -21.6519 -0.714101 -16.0038 13.3325 -21.6519 13.3325 -0.259167 GPRESSAVG: 4804200 -29.4522 -0.690315 -23.1993 1.03998 -16.5746 12.5871 -22.0119 13.8612 0.231538 TIMING: 4804200 CPU: 15488.4, 0.00312076/step Wall: 15488.4, 0.00312077/step, 0.169735 hours remaining, 235.097656 MB of memory in use. ENERGY: 4804200 4011.5728 20585.3153 14386.0314 248.5570 -203672.7490 2727.9836 0.0000 0.0000 52238.6966 -109474.5924 300.2165 -161713.2890 -109105.8055 299.3497 -171.9227 -149.0254 761782.9373 -15.1331 -15.2651 LDB: ============= START OF LOAD BALANCING ============== 15500.8 LDB: ============== END OF LOAD BALANCING =============== 15500.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15500.8 LDB: ============= START OF LOAD BALANCING ============== 15501.1 LDB: Largest compute 7074 load 0.032443 is 16.6% of average load 0.195510 LDB: Average compute 0.004401 is 2.3% of average load 0.195510 LDB: TIME 15501.1 LOAD: AVG 0.19551 MAX 0.214115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.52 MB LDB: TIME 15501.1 LOAD: AVG 0.19551 MAX 0.214115 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.719 MB LDB: TIME 15501.1 LOAD: AVG 0.19551 MAX 0.214115 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.719 MB LDB: ============== END OF LOAD BALANCING =============== 15501.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15501.1 PRESSURE: 4804400 -292.526 -89.7572 37.7102 -89.7583 -314.225 214.855 37.7111 214.855 15.0687 GPRESSURE: 4804400 -309.042 -138.921 43.0541 -10.6136 -254.204 186.82 -36.7593 216.052 63.9231 PRESSAVG: 4804400 -1.3507 -15.9388 40.304 -15.9388 -32.4328 38.1984 40.304 38.1984 10.1415 GPRESSAVG: 4804400 -2.13472 -16.31 40.3185 -16.6975 -31.8842 37.8972 39.026 38.747 10.1476 TIMING: 4804400 CPU: 15489, 0.00317955/step Wall: 15489, 0.00317955/step, 0.172755 hours remaining, 235.394531 MB of memory in use. ENERGY: 4804400 4086.3882 20548.8673 14416.4054 236.6368 -202822.3289 2157.4254 0.0000 0.0000 51813.5929 -109563.0129 297.7734 -161376.6058 -109194.2165 299.1436 -197.2275 -166.4411 763654.7064 -7.8807 -7.9571 PRESSURE: 4804600 -403.002 227.04 236.44 227.04 25.7455 114.455 236.44 114.455 305.347 GPRESSURE: 4804600 -310.914 303.391 91.1611 80.5244 95.8425 117.15 193.592 140.249 258.574 PRESSAVG: 4804600 28.6677 13.3971 66.9094 13.3971 1.22955 13.8336 66.9094 13.8335 13.8656 GPRESSAVG: 4804600 29.8592 14.2861 67.4724 13.766 -0.0182175 15.6487 65.5196 12.4968 14.7047 TIMING: 4804600 CPU: 15489.7, 0.00311871/step Wall: 15489.7, 0.00311871/step, 0.169277 hours remaining, 235.851562 MB of memory in use. ENERGY: 4804600 4007.8705 20666.2584 14366.8882 250.4429 -202907.3528 2314.4758 0.0000 0.0000 51827.4947 -109473.9224 297.8533 -161301.4170 -109110.8457 299.5501 -23.9697 14.5007 761073.7126 14.5876 14.8486 PRESSURE: 4804800 -502.911 13.7118 138.689 13.7126 -202.617 -120.295 138.689 -120.296 -417.226 GPRESSURE: 4804800 -422.025 -60.5258 193.938 64.4935 -230.656 -163.059 96.4502 -44.139 -391.061 PRESSAVG: 4804800 12.4761 -44.4209 89.4237 -44.4208 -0.208797 -13.5405 89.4238 -13.5404 -4.88492 GPRESSAVG: 4804800 12.7081 -44.6164 91.5607 -45.4008 1.1367 -13.6723 90.2395 -12.5638 -6.38222 TIMING: 4804800 CPU: 15490.3, 0.00311592/step Wall: 15490.3, 0.00311592/step, 0.168952 hours remaining, 236.054688 MB of memory in use. ENERGY: 4804800 4055.3473 20616.1514 14404.4117 239.1855 -202957.5899 2099.4178 0.0000 0.0000 52128.4588 -109414.6173 299.5830 -161543.0761 -109048.1443 299.7357 -374.2510 -347.9139 761456.0808 2.4608 2.4875 PRESSURE: 4805000 168.073 27.7671 -202.574 27.7674 51.945 18.0259 -202.573 18.027 358.005 GPRESSURE: 4805000 226.109 29.3849 -237.179 103.426 75.5188 19.0608 -92.6961 23.2146 351.68 PRESSAVG: 4805000 -20.5336 -40.1326 25.483 -40.1326 -10.9551 10.5479 25.4831 10.5479 -12.0702 GPRESSAVG: 4805000 -21.4983 -41.7198 23.4206 -37.9509 -11.935 9.7312 26.6431 9.65705 -10.3225 TIMING: 4805000 CPU: 15490.9, 0.00312205/step Wall: 15490.9, 0.00312205/step, 0.169111 hours remaining, 236.054688 MB of memory in use. ENERGY: 4805000 3953.0889 20571.1522 14390.3938 243.6578 -203327.3132 2473.6350 0.0000 0.0000 52300.4197 -109394.9658 300.5712 -161695.3855 -109027.7711 299.5230 192.6743 217.7693 760436.7734 -14.5196 -14.5853 PRESSURE: 4805200 -222.76 -33.4746 -232.637 -33.4747 34.3292 309.048 -232.638 309.049 26.0277 GPRESSURE: 4805200 -122.225 -104.932 -248.439 -10.0851 23.5198 289.45 -131.549 365.233 34.6573 PRESSAVG: 4805200 12.2928 -20.7709 -13.0355 -20.7709 -15.1846 77.8618 -13.0355 77.8619 -23.0829 GPRESSAVG: 4805200 13.8192 -19.3974 -12.8393 -20.4664 -15.0088 77.594 -14.4635 79.7856 -24.1715 TIMING: 4805200 CPU: 15491.5, 0.00312462/step Wall: 15491.5, 0.00312462/step, 0.169077 hours remaining, 236.054688 MB of memory in use. ENERGY: 4805200 4049.9711 20534.0434 14472.5195 273.9209 -203511.3901 2506.5533 0.0000 0.0000 52256.5717 -109417.8102 300.3192 -161674.3819 -109047.3399 299.7007 -54.1342 -21.3491 760460.4924 -8.6582 -8.4537 PRESSURE: 4805400 314.056 -32.0036 96.7028 -32.004 -189.801 62.8266 96.7023 62.8281 -255.551 GPRESSURE: 4805400 280.553 -136.108 81.2044 -56.3227 -93.3015 -54.615 187.201 132.713 -213.97 PRESSAVG: 4805400 16.2535 -84.3125 -0.978209 -84.3125 -4.46652 55.6871 -0.978155 55.687 2.82703 GPRESSAVG: 4805400 15.6105 -83.0398 0.74663 -85.7011 -3.42032 54.7076 -0.925782 56.9946 2.79384 TIMING: 4805400 CPU: 15492.2, 0.00316063/step Wall: 15492.2, 0.00316063/step, 0.17085 hours remaining, 236.054688 MB of memory in use. ENERGY: 4805400 4054.0814 20467.1136 14443.6130 259.9794 -202777.7307 2091.8278 0.0000 0.0000 52083.4844 -109377.6311 299.3245 -161461.1155 -109011.5973 299.4656 -43.7653 -8.9062 760206.6117 4.8713 4.9947 PRESSURE: 4805600 116.151 124.433 -18.9965 124.433 -81.1527 76.0286 -18.9965 76.0288 -15.8055 GPRESSURE: 4805600 138.936 118.374 44.4626 28.7745 28.1119 127.739 -13.1726 -19.7937 -39.1576 PRESSAVG: 4805600 51.768 -19.8013 38.0818 -19.8013 -14.5087 -28.8562 38.0819 -28.8562 2.73645 GPRESSAVG: 4805600 53.2562 -24.4557 37.7285 -19.1072 -15.4863 -29.3803 38.1642 -31.9213 2.8517 TIMING: 4805600 CPU: 15492.8, 0.00312642/step Wall: 15492.8, 0.00312642/step, 0.168827 hours remaining, 236.054688 MB of memory in use. ENERGY: 4805600 3967.8625 20574.9534 14425.5568 268.1288 -203051.2848 2463.0996 0.0000 0.0000 51960.3007 -109391.3829 298.6166 -161351.6837 -109023.1426 299.1926 6.3976 42.6300 761069.6953 13.3319 13.5405 PRESSURE: 4805800 60.0845 47.2847 195.916 47.2847 147.432 -173.599 195.916 -173.6 110.681 GPRESSURE: 4805800 41.2825 141.599 157.316 112.789 238.27 -70.4092 110.835 2.18704 122.455 PRESSAVG: 4805800 -7.15141 -7.14751 41.7039 -7.14744 24.1961 -25.2605 41.704 -25.2605 -4.2659 GPRESSAVG: 4805800 -7.49309 -3.61485 39.4511 -8.27748 23.8303 -23.0407 43.4609 -23.6487 -3.46217 TIMING: 4805800 CPU: 15493.4, 0.00311775/step Wall: 15493.4, 0.00311775/step, 0.168185 hours remaining, 236.066406 MB of memory in use. ENERGY: 4805800 3965.6660 20415.8008 14540.1999 243.3562 -203091.8115 2386.3216 0.0000 0.0000 52099.8850 -109440.5820 299.4188 -161540.4670 -109062.5172 299.5099 106.0659 134.0026 759945.8048 4.2596 4.2917 PRESSURE: 4806000 231.293 -191.393 32.4459 -191.393 -165.862 220.23 32.4451 220.231 -367.621 GPRESSURE: 4806000 205.64 -175.963 48.8711 -197.801 -152.62 147.179 131.984 126.596 -267.064 PRESSAVG: 4806000 87.742 -20.6265 11.3361 -20.6265 -42.3088 -58.2116 11.3362 -58.2116 -6.18928 GPRESSAVG: 4806000 88.0063 -21.0776 11.2767 -19.9229 -41.5279 -59.412 9.83004 -57.4157 -7.03895 TIMING: 4806000 CPU: 15494, 0.00310522/step Wall: 15494, 0.00310522/step, 0.167337 hours remaining, 236.066406 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: 4806000 4012.2422 20643.0543 14424.9418 245.1699 -203502.6992 2628.1802 0.0000 0.0000 51978.2710 -109570.8398 298.7198 -161549.1108 -109226.2377 299.1244 -100.7300 -71.3478 760545.9387 13.0813 13.1465 PRESSURE: 4806200 124.761 -44.3967 179.556 -44.3972 33.5611 -31.4476 179.556 -31.4463 126.133 GPRESSURE: 4806200 139.586 -65.6962 156.122 -6.7287 107.487 -95.7421 187.362 49.6293 147.942 PRESSAVG: 4806200 -1.28492 -43.3799 77.0961 -43.3799 -35.7923 28.0802 77.0961 28.0801 -15.4521 GPRESSAVG: 4806200 -1.95946 -44.2713 78.3884 -41.0176 -35.2739 28.5261 77.1878 25.4807 -15.5242 TIMING: 4806200 CPU: 15494.7, 0.00310213/step Wall: 15494.7, 0.00310213/step, 0.166998 hours remaining, 236.066406 MB of memory in use. ENERGY: 4806200 3963.1099 20576.7463 14452.4099 256.0978 -202880.4436 2312.4749 0.0000 0.0000 51805.8196 -109513.7852 297.7288 -161319.6048 -109158.4119 299.1545 94.8182 131.6714 759700.5553 -17.5098 -17.5858 PRESSURE: 4806400 -27.6299 -67.377 -10.6285 -67.377 -77.119 6.76844 -10.6288 6.77018 -129.635 GPRESSURE: 4806400 -82.2396 -20.1872 -36.1091 -80.8034 15.7519 47.8917 28.1658 -128.585 -81.9254 PRESSAVG: 4806400 7.72644 -9.19107 10.0376 -9.19104 45.9726 8.11312 10.0377 8.11313 -1.30721 GPRESSAVG: 4806400 7.95007 -9.30166 10.5423 -9.37368 45.2205 9.22565 10.7487 9.47179 -0.32785 TIMING: 4806400 CPU: 15495.3, 0.00312676/step Wall: 15495.3, 0.00312676/step, 0.16815 hours remaining, 236.066406 MB of memory in use. ENERGY: 4806400 3978.2960 20462.4527 14414.8418 254.1526 -203146.5869 2378.1351 0.0000 0.0000 52111.4310 -109547.2777 299.4851 -161658.7087 -109180.4110 299.1064 -78.1280 -49.4710 760585.8395 17.4639 17.6143 PRESSURE: 4806600 98.2272 -98.5313 -106.326 -98.5313 -238.382 -128.625 -106.327 -128.626 289.609 GPRESSURE: 4806600 104.684 -107.456 -55.9362 -108.583 -175.063 -111.452 -39.32 -106.106 274.256 PRESSAVG: 4806600 17.3159 -33.4937 61.9341 -33.4937 -68.2071 -17.0723 61.9341 -17.0722 30.651 GPRESSAVG: 4806600 17.9312 -32.7777 61.4725 -34.7287 -67.2092 -18.631 63.6887 -16.196 29.2379 TIMING: 4806600 CPU: 15495.9, 0.00313003/step Wall: 15495.9, 0.00313003/step, 0.168152 hours remaining, 236.066406 MB of memory in use. ENERGY: 4806600 3978.9390 20568.4903 14415.8201 258.2097 -203667.1871 3043.7618 0.0000 0.0000 51951.5571 -109450.4091 298.5663 -161401.9662 -109100.0868 299.3511 49.8181 67.9588 759947.5088 -6.7467 -6.6800 PRESSURE: 4806800 -257.311 -103.369 141.283 -103.369 33.486 -139.323 141.283 -139.323 160.573 GPRESSURE: 4806800 -146.478 -180.931 75.3736 -113.835 -42.3845 -166.374 -5.79596 9.26739 201.973 PRESSAVG: 4806800 39.9532 -62.5599 26.1984 -62.5598 -19.4871 -90.448 26.1984 -90.448 13.2881 GPRESSAVG: 4806800 37.9108 -62.0662 27.6032 -62.1835 -19.3427 -89.1905 23.8205 -90.3099 14.5799 TIMING: 4806800 CPU: 15496.5, 0.00312314/step Wall: 15496.5, 0.00312314/step, 0.167609 hours remaining, 236.066406 MB of memory in use. ENERGY: 4806800 3987.8259 20425.6615 14391.1460 246.6082 -202971.6121 2356.6337 0.0000 0.0000 52161.7616 -109401.9752 299.7744 -161563.7369 -109041.4379 298.9093 -21.0842 4.3704 759669.4771 11.2514 11.0493 PRESSURE: 4807000 -83.2847 -57.9003 170.329 -57.9003 33.9804 -40.2485 170.329 -40.2478 -46.7436 GPRESSURE: 4807000 -94.1621 -91.4596 178.39 -94.3666 169.202 -77.355 76.115 47.6253 -82.9202 PRESSAVG: 4807000 -25.0363 -18.6028 22.1371 -18.6028 1.87995 -66.6384 22.1371 -66.6385 3.27582 GPRESSAVG: 4807000 -23.0998 -18.1686 21.2323 -21.5482 -0.309209 -66.022 21.1344 -68.4881 3.52686 TIMING: 4807000 CPU: 15497.2, 0.0031008/step Wall: 15497.2, 0.0031008/step, 0.166237 hours remaining, 236.066406 MB of memory in use. ENERGY: 4807000 4001.8558 20312.5074 14430.8429 264.1959 -202923.6051 2364.0971 0.0000 0.0000 52004.9384 -109545.1676 298.8731 -161550.1060 -109184.0514 298.6854 -32.0160 -2.6267 760391.7146 -6.6268 -6.6274 PRESSURE: 4807200 305.016 -97.6962 203.97 -97.6963 141.804 -24.3905 203.97 -24.3914 168.805 GPRESSURE: 4807200 358.207 -156.292 74.7944 -27.4016 228.22 -93.005 293.314 21.6691 115.766 PRESSAVG: 4807200 -8.54143 -53.6564 -17.7315 -53.6564 54.0879 -67.4793 -17.7315 -67.4793 5.0335 GPRESSAVG: 4807200 -8.97369 -55.1846 -17.8592 -51.8267 55.2426 -69.0483 -15.4773 -67.2947 4.19967 TIMING: 4807200 CPU: 15497.8, 0.00312848/step Wall: 15497.8, 0.00312848/step, 0.167547 hours remaining, 236.121094 MB of memory in use. ENERGY: 4807200 3998.3730 20448.4289 14390.6475 242.0324 -203127.3820 2555.8748 0.0000 0.0000 51934.3067 -109557.7188 298.4672 -161492.0255 -109211.6461 298.4131 205.2088 234.0644 761019.4283 16.8600 16.8229 PRESSURE: 4807400 -290.165 -27.4046 14.538 -27.4054 -229.216 -201.593 14.5381 -201.593 -501.977 GPRESSURE: 4807400 -278.621 42.9353 76.9061 -8.6828 -231.05 -150.759 -90.3869 -294.503 -442.385 PRESSAVG: 4807400 -5.08553 12.1383 2.38075 12.1383 21.2383 -9.84901 2.38069 -9.84897 10.8622 GPRESSAVG: 4807400 -3.90983 14.6893 1.06692 12.9529 21.0272 -9.50392 0.0577904 -10.1554 9.6179 TIMING: 4807400 CPU: 15498.4, 0.00313974/step Wall: 15498.4, 0.00313974/step, 0.167976 hours remaining, 236.121094 MB of memory in use. ENERGY: 4807400 4001.8717 20426.1436 14490.6789 258.2184 -202647.4670 2115.5239 0.0000 0.0000 51777.8211 -109577.2094 297.5678 -161355.0305 -109205.8616 299.1277 -340.4527 -317.3520 762122.8587 9.0050 8.9118 PRESSURE: 4807600 23.0056 47.1972 164.348 47.1968 -250.242 -34.216 164.347 -34.2157 64.2521 GPRESSURE: 4807600 -20.6937 85.405 160.276 54.747 -168.437 -65.6253 74.6584 -23.3297 116.114 PRESSAVG: 4807600 23.7056 -33.4256 33.9596 -33.4257 -19.5011 -67.9714 33.9596 -67.9715 -14.4209 GPRESSAVG: 4807600 21.5478 -36.3503 36.4904 -33.917 -18.4875 -69.2085 35.1425 -66.5359 -12.6316 TIMING: 4807600 CPU: 15499, 0.00312761/step Wall: 15499, 0.00312761/step, 0.167153 hours remaining, 236.121094 MB of memory in use. ENERGY: 4807600 3923.8446 20258.9335 14496.6122 246.6545 -202978.1374 2291.7844 0.0000 0.0000 52135.3685 -109624.9398 299.6227 -161760.3082 -109269.1541 298.9713 -54.3281 -24.3389 761332.7139 -3.4055 -3.1904 PRESSURE: 4807800 -26.1449 -31.851 -75.9559 -31.8509 159.092 133.979 -75.9561 133.979 75.5103 GPRESSURE: 4807800 111.544 -73.6027 -52.8298 -41.114 97.6185 73.1574 -77.6742 226.642 75.7128 PRESSAVG: 4807800 7.60344 -15.9851 9.28151 -15.9851 -2.79872 -44.4686 9.28155 -44.4687 3.26543 GPRESSAVG: 4807800 7.91243 -16.0776 7.61306 -16.3302 -2.59335 -44.0764 10.1626 -44.6729 2.88725 TIMING: 4807800 CPU: 15499.6, 0.00310081/step Wall: 15499.6, 0.00310081/step, 0.165549 hours remaining, 236.121094 MB of memory in use. ENERGY: 4807800 3950.2565 20498.8252 14456.5646 247.1161 -203117.8896 2454.5567 0.0000 0.0000 52039.6642 -109470.9062 299.0727 -161510.5704 -109113.5923 299.0268 69.4856 94.9583 759211.6044 2.6900 2.7354 PRESSURE: 4808000 -128.26 -69.2248 -86.9066 -69.2248 -13.5937 137.494 -86.9071 137.495 376.296 GPRESSURE: 4808000 -88.2673 -50.3664 -87.8508 -123.83 53.8102 108.464 -151.08 73.7927 355.076 PRESSAVG: 4808000 46.1604 0.947438 34.9642 0.94746 -2.18787 -21.3604 34.9642 -21.3604 23.0662 GPRESSAVG: 4808000 47.1721 2.53998 34.972 0.845646 -2.65682 -20.1773 33.9965 -21.8326 22.9168 TIMING: 4808000 CPU: 15500.3, 0.00311658/step Wall: 15500.3, 0.00311658/step, 0.166218 hours remaining, 236.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4808000 3932.9091 20337.4228 14525.2102 248.2668 -203396.1909 2560.6637 0.0000 0.0000 52309.3499 -109482.3682 300.6226 -161791.7182 -109120.4534 298.8918 78.1477 106.8729 759859.2341 22.3462 22.4774 PRESSURE: 4808200 235.732 59.1582 184.67 59.1584 324.297 -145.563 184.67 -145.564 288.407 GPRESSURE: 4808200 195.689 -76.3915 124.133 29.2359 346.684 -28.2776 132.678 -130.679 387.985 PRESSAVG: 4808200 -10.8125 -43.0034 30.7297 -43.0034 50.7427 35.7586 30.7296 35.7587 12.1122 GPRESSAVG: 4808200 -10.8605 -45.2944 29.3511 -43.257 51.0988 34.8699 28.6499 35.8437 11.6348 TIMING: 4808200 CPU: 15500.9, 0.0030995/step Wall: 15500.9, 0.0030995/step, 0.165135 hours remaining, 236.121094 MB of memory in use. ENERGY: 4808200 3936.5268 20443.3898 14455.8592 245.6057 -203283.6673 2756.1713 0.0000 0.0000 52177.1655 -109268.9489 299.8629 -161446.1144 -108917.7048 299.3193 282.8119 310.1193 760090.0153 17.3475 17.2911 LDB: ============= START OF LOAD BALANCING ============== 15513.3 LDB: ============== END OF LOAD BALANCING =============== 15513.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15513.3 LDB: ============= START OF LOAD BALANCING ============== 15513.6 LDB: Largest compute 7075 load 0.034218 is 17.5% of average load 0.195642 LDB: Average compute 0.004394 is 2.2% of average load 0.195642 LDB: TIME 15513.6 LOAD: AVG 0.195642 MAX 0.214486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.324 MB LDB: TIME 15513.6 LOAD: AVG 0.195642 MAX 0.214486 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: TIME 15513.6 LOAD: AVG 0.195642 MAX 0.214486 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: ============== END OF LOAD BALANCING =============== 15513.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15513.6 PRESSURE: 4808400 -309.874 -79.3086 222.497 -79.3092 -194.044 -143.949 222.498 -143.95 -436.54 GPRESSURE: 4808400 -169.426 -53.2531 156.918 -96.3894 -242.168 -112.226 274.621 -137.38 -428.145 PRESSAVG: 4808400 41.3513 -54.6806 70.2225 -54.6806 -23.018 27.3695 70.2225 27.3695 -12.5549 GPRESSAVG: 4808400 42.017 -53.5615 70.5427 -54.6122 -24.0358 27.1124 70.5908 26.9575 -11.8713 TIMING: 4808400 CPU: 15501.5, 0.00317689/step Wall: 15501.5, 0.00317689/step, 0.169081 hours remaining, 236.292969 MB of memory in use. ENERGY: 4808400 3999.6814 20504.8070 14446.6023 255.5250 -202752.1012 2274.4146 0.0000 0.0000 52063.3313 -109207.7395 299.2087 -161271.0708 -108863.8807 299.3586 -313.4860 -279.9131 761099.7923 1.9261 2.0366 PRESSURE: 4808600 80.1336 165.943 -136.21 165.943 535.915 83.6859 -136.209 83.686 -68.9549 GPRESSURE: 4808600 84.2222 99.7686 -104.381 36.2764 555.056 180.199 -105.459 -77.9221 -13.4547 PRESSAVG: 4808600 32.1647 -5.12016 37.4907 -5.12012 -19.6297 3.49009 37.4907 3.49006 -23.4187 GPRESSAVG: 4808600 32.3819 -6.15296 37.8566 -4.03215 -19.1988 3.38235 39.2239 4.8322 -24.1663 TIMING: 4808600 CPU: 15502.1, 0.00310476/step Wall: 15502.1, 0.00310477/step, 0.16507 hours remaining, 236.417969 MB of memory in use. ENERGY: 4808600 4083.3034 20465.4305 14444.5669 233.3891 -203656.9458 2965.0812 0.0000 0.0000 52229.9748 -109235.1998 300.1664 -161465.1746 -108874.8724 299.7486 182.3646 208.6079 759233.1508 -3.6279 -3.6611 PRESSURE: 4808800 249.177 65.8922 -27.6503 65.8931 41.0448 -165.266 -27.6506 -165.267 3.31407 GPRESSURE: 4808800 197.175 -14.581 -5.55903 -35.6788 105.155 -190.997 -147.319 -100.428 66.1677 PRESSAVG: 4808800 -34.7292 5.21941 41.0465 5.21941 6.36582 10.3031 41.0465 10.303 6.62463 GPRESSAVG: 4808800 -35.6893 6.80919 42.5447 4.27409 7.08883 10.5561 39.9854 10.0703 6.3607 TIMING: 4808800 CPU: 15502.8, 0.00313385/step Wall: 15502.8, 0.00313385/step, 0.166442 hours remaining, 236.632812 MB of memory in use. ENERGY: 4808800 3910.0498 20508.7340 14433.3761 244.7479 -202961.6395 2431.7931 0.0000 0.0000 52057.6642 -109375.2743 299.1761 -161432.9386 -109005.2297 299.5526 97.8452 122.8325 762646.7552 -7.2463 -7.4132 PRESSURE: 4809000 -102.37 90.8184 103.12 90.8181 138.357 -14.7199 103.12 -14.7195 333.344 GPRESSURE: 4809000 46.6192 14.1034 65.3944 56.2267 202.463 -82.5581 16.7046 88.358 216.564 PRESSAVG: 4809000 5.88159 -8.09618 54.8946 -8.09609 -22.8398 12.3349 54.8945 12.3349 30.5851 GPRESSAVG: 4809000 6.3988 -8.67571 52.7336 -8.07913 -24.2856 13.2263 53.7389 9.62936 31.5518 TIMING: 4809000 CPU: 15503.4, 0.00310762/step Wall: 15503.4, 0.00310762/step, 0.164877 hours remaining, 236.632812 MB of memory in use. ENERGY: 4809000 3960.8321 20455.7145 14522.2522 227.0875 -203166.4841 2630.1258 0.0000 0.0000 52020.6783 -109349.7937 298.9636 -161370.4720 -108994.6443 299.4223 123.1104 155.2154 761201.1871 4.5423 4.5550 PRESSURE: 4809200 -421.633 54.0358 -74.7859 54.037 21.6366 84.3952 -74.7856 84.3965 -271.432 GPRESSURE: 4809200 -320.798 4.09839 -73.8205 8.32366 -1.15927 28.5892 29.8595 80.2513 -290.035 PRESSAVG: 4809200 -2.81219 4.09725 27.3092 4.09729 25.5328 -17.1191 27.3093 -17.1192 -2.4823 GPRESSAVG: 4809200 -3.18649 5.44991 29.2008 4.34977 26.3 -18.3524 29.2659 -14.8283 -3.06763 TIMING: 4809200 CPU: 15504, 0.0031178/step Wall: 15504, 0.0031178/step, 0.165243 hours remaining, 236.632812 MB of memory in use. ENERGY: 4809200 4000.8176 20598.8801 14457.4392 242.4468 -203244.3203 2472.2118 0.0000 0.0000 52208.4497 -109264.0750 300.0427 -161472.5247 -108909.7275 299.4360 -223.8094 -203.9974 761254.9388 6.7461 6.6820 PRESSURE: 4809400 21.4899 -139.263 -198.811 -139.263 -145.225 -105.689 -198.811 -105.689 249.956 GPRESSURE: 4809400 1.80956 -194.254 -200.722 -182.567 26.6545 -113.579 -365.921 -141.654 197.114 PRESSAVG: 4809400 79.6982 -54.2886 24.4689 -54.2887 -19.0739 9.3152 24.4688 9.31522 9.43599 GPRESSAVG: 4809400 80.207 -54.498 21.5712 -53.787 -19.819 8.01872 24.7762 7.77579 9.3928 TIMING: 4809400 CPU: 15504.6, 0.00312933/step Wall: 15504.6, 0.00312933/step, 0.165681 hours remaining, 236.632812 MB of memory in use. ENERGY: 4809400 4016.9535 20434.4925 14501.4242 246.9186 -203169.2024 2445.7762 0.0000 0.0000 52087.8465 -109435.7909 299.3496 -161523.6375 -109069.3525 299.6782 42.0735 75.1928 761162.2488 23.3534 23.2603 PRESSURE: 4809600 234.799 -27.3457 -67.3317 -27.3453 104.012 -26.3259 -67.3304 -26.3259 300.372 GPRESSURE: 4809600 125.182 -88.1112 -10.4626 -74.544 239.621 39.2176 -118.044 -112.479 369.705 PRESSAVG: 4809600 -0.972396 4.63078 -52.123 4.6308 -4.93893 -12.4784 -52.1229 -12.4783 -23.6162 GPRESSAVG: 4809600 -1.07968 6.2406 -52.6143 2.031 -4.46613 -10.4924 -51.6809 -11.8629 -23.6271 TIMING: 4809600 CPU: 15505.3, 0.00310472/step Wall: 15505.3, 0.00310472/step, 0.164205 hours remaining, 236.632812 MB of memory in use. ENERGY: 4809600 3989.3981 20656.1741 14445.0903 239.0882 -203631.4667 2818.4292 0.0000 0.0000 52124.1878 -109359.0990 299.5584 -161483.2868 -109008.8582 299.3051 213.0611 244.8355 760540.4855 -9.8425 -9.7243 PRESSURE: 4809800 -333.253 -7.35395 -108.552 -7.35385 -43.5805 -222.96 -108.552 -222.96 -62.8228 GPRESSURE: 4809800 -304.093 31.8299 -168.255 -15.9566 -47.0272 -184.044 -168.921 -287.445 -23.0895 PRESSAVG: 4809800 -46.1128 72.0749 19.1673 72.0748 12.1121 -57.6034 19.1674 -57.6034 11.6428 GPRESSAVG: 4809800 -45.8757 71.3388 20.9202 71.4759 12.2091 -57.1857 19.0669 -55.5995 11.5281 TIMING: 4809800 CPU: 15505.9, 0.00312463/step Wall: 15505.9, 0.00312463/step, 0.165085 hours remaining, 236.632812 MB of memory in use. ENERGY: 4809800 3972.8902 20729.9866 14438.3627 233.1926 -202805.6324 2169.3558 0.0000 0.0000 51952.4207 -109309.4238 298.5713 -161261.8445 -108953.4687 299.1256 -146.5521 -124.7365 761785.3397 -7.4526 -7.3795 PRESSURE: 4810000 53.0938 -29.5024 68.0967 -29.5022 -309.905 -44.2757 68.0977 -44.2764 84.6592 GPRESSURE: 4810000 43.9943 -61.7556 22.2378 -40.669 -259.049 -49.6243 -16.1315 -47.1165 121.708 PRESSAVG: 4810000 19.8988 -2.44641 -4.79368 -2.44627 -19.5156 39.462 -4.79362 39.462 -6.04895 GPRESSAVG: 4810000 21.0703 -3.89745 -6.05762 -1.28962 -20.1501 38.5323 -5.65993 38.6881 -7.01781 TIMING: 4810000 CPU: 15506.5, 0.00311981/step Wall: 15506.5, 0.00311981/step, 0.164656 hours remaining, 236.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4810000 4040.2147 20577.8615 14492.6204 231.1709 -203282.3700 2522.1180 0.0000 0.0000 51974.4775 -109443.9070 298.6980 -161418.3844 -109079.1870 299.0933 -57.3841 -31.1154 761081.2208 -1.8886 -2.0326 PRESSURE: 4810200 13.2421 14.1492 -85.8644 14.1489 -59.9517 -78.7573 -85.8639 -78.7569 220.414 GPRESSURE: 4810200 34.1235 -98.9621 -63.7773 134.36 -3.25066 -105.71 -117.138 55.8774 229.986 PRESSAVG: 4810200 34.4494 27.5371 -8.51919 27.5372 -35.5792 29.4081 -8.51912 29.4082 8.12501 GPRESSAVG: 4810200 32.7374 27.5652 -8.20025 27.5825 -34.0006 29.0458 -7.18574 29.9416 7.97571 TIMING: 4810200 CPU: 15507.1, 0.0031154/step Wall: 15507.1, 0.0031154/step, 0.164251 hours remaining, 236.886719 MB of memory in use. ENERGY: 4810200 4028.6242 20480.9133 14463.3728 240.6411 -203302.0428 2481.0712 0.0000 0.0000 51976.0074 -109631.4129 298.7068 -161607.4203 -109270.7176 299.2916 57.9014 86.9531 760377.3963 2.3318 2.2375 PRESSURE: 4810400 310.158 -160.603 -38.6736 -160.604 -142.095 -219.265 -38.6729 -219.264 116.288 GPRESSURE: 4810400 359.682 -143.687 -10.766 -226.998 -120.12 -200.387 23.1159 -276.248 137.636 PRESSAVG: 4810400 -45.4207 -19.3821 5.55722 -19.3821 18.3721 40.5355 5.55718 40.5355 16.5706 GPRESSAVG: 4810400 -45.3486 -19.6077 9.11957 -18.8586 17.2812 41.1704 3.17113 39.7984 17.8275 TIMING: 4810400 CPU: 15507.8, 0.00311134/step Wall: 15507.8, 0.00311134/step, 0.163864 hours remaining, 236.886719 MB of memory in use. ENERGY: 4810400 3930.4389 20393.8910 14446.2052 247.0835 -203357.4540 2418.6272 0.0000 0.0000 52232.5421 -109688.6660 300.1811 -161921.2081 -109321.2496 299.2170 94.7838 125.7328 760061.6132 -3.4927 -3.4133 PRESSURE: 4810600 62.683 42.5363 -93.8902 42.5365 -25.5988 -160.989 -93.8902 -160.989 -491.373 GPRESSURE: 4810600 77.1077 4.84911 -63.6706 -5.7828 44.687 -159.629 -46.197 -211.03 -501.688 PRESSAVG: 4810600 56.3015 -38.4974 -45.5326 -38.4974 -13.1746 32.1512 -45.5327 32.1512 -6.60135 GPRESSAVG: 4810600 55.5083 -38.9476 -47.1774 -38.4714 -12.8565 31.8435 -43.918 31.6082 -6.70322 TIMING: 4810600 CPU: 15508.4, 0.00309299/step Wall: 15508.4, 0.00309299/step, 0.162726 hours remaining, 236.886719 MB of memory in use. ENERGY: 4810600 3969.7198 20622.4906 14464.7532 248.5637 -203436.9158 2456.3510 0.0000 0.0000 52012.8151 -109662.2225 298.9184 -161675.0376 -109306.3799 298.6001 -151.4295 -126.6312 760813.1798 12.1752 11.9829 PRESSURE: 4810800 298.037 -111.802 -101.019 -111.801 14.0831 -74.8484 -101.019 -74.8481 346.699 GPRESSURE: 4810800 280.862 -124.7 -158.508 -133.295 96.3186 -88.757 -156.259 -11.8789 375.316 PRESSAVG: 4810800 -3.53035 -87.0052 -54.9028 -87.0053 17.0876 -56.6285 -54.9028 -56.6285 -11.1494 GPRESSAVG: 4810800 -3.26429 -84.6538 -56.5953 -86.1687 16.5962 -55.9482 -56.818 -57.0474 -11.3755 TIMING: 4810800 CPU: 15509, 0.00309856/step Wall: 15509, 0.00309856/step, 0.162847 hours remaining, 236.886719 MB of memory in use. ENERGY: 4810800 3947.6322 20500.2252 14495.0802 240.1098 -203433.3294 2551.1810 0.0000 0.0000 52147.8972 -109551.2037 299.6947 -161699.1009 -109186.5952 298.8033 219.6065 250.8321 760082.7137 0.8026 0.6522 PRESSURE: 4811000 -342.487 -38.7508 -106.535 -38.75 -394.652 20.0765 -106.536 20.0759 67.9214 GPRESSURE: 4811000 -286.042 59.1822 -115.516 -5.5389 -382.816 2.01574 -59.3022 130.439 99.2386 PRESSAVG: 4811000 -46.1816 15.3144 -35.9086 15.3145 10.8832 -20.6672 -35.9086 -20.6671 1.55864 GPRESSAVG: 4811000 -45.8323 14.8791 -34.611 16.4566 10.4774 -21.5693 -34.4951 -17.3996 1.75274 TIMING: 4811000 CPU: 15509.6, 0.00312133/step Wall: 15509.6, 0.00312133/step, 0.16387 hours remaining, 236.886719 MB of memory in use. ENERGY: 4811000 3937.1326 20457.4097 14402.2036 243.5988 -203103.0097 2453.4761 0.0000 0.0000 52077.1033 -109532.0855 299.2878 -161609.1888 -109170.8169 299.2822 -223.0726 -189.8732 760868.8396 -11.2466 -11.2007 PRESSURE: 4811200 -309.29 187.438 103.364 187.438 -414.57 77.976 103.364 77.976 422.867 GPRESSURE: 4811200 -227.185 171.966 136.997 124.943 -330.015 119.55 41.9569 125.827 363.579 PRESSAVG: 4811200 38.502 -5.05965 -75.8988 -5.05955 14.2811 66.8042 -75.8988 66.8042 6.84547 GPRESSAVG: 4811200 39.2433 -7.03317 -75.2843 -7.30708 14.1052 67.6788 -76.965 63.1973 6.44805 TIMING: 4811200 CPU: 15510.2, 0.00312279/step Wall: 15510.2, 0.00312279/step, 0.163773 hours remaining, 236.886719 MB of memory in use. ENERGY: 4811200 3958.0846 20504.8067 14422.6863 228.0108 -203012.2056 2419.6587 0.0000 0.0000 51978.0079 -109500.9506 298.7183 -161478.9585 -109134.4872 299.2908 -100.3307 -64.5402 761190.0151 19.8762 19.9322 PRESSURE: 4811400 449.164 -370.921 -19.4062 -370.921 167.697 159.336 -19.406 159.336 130.553 GPRESSURE: 4811400 412.015 -213.742 -62.0736 -185.374 254.305 211.977 33.6451 148.677 154.991 PRESSAVG: 4811400 54.7917 -87.811 -22.4306 -87.811 -29.9215 37.3213 -22.4306 37.3212 8.81948 GPRESSAVG: 4811400 54.7775 -87.35 -23.2973 -84.0989 -29.4022 36.9581 -21.3616 40.3227 8.38628 TIMING: 4811400 CPU: 15510.9, 0.00312998/step Wall: 15510.9, 0.00312998/step, 0.163976 hours remaining, 236.886719 MB of memory in use. ENERGY: 4811400 3997.7042 20587.1577 14467.2601 231.1605 -203539.0266 2830.4922 0.0000 0.0000 51840.6430 -109584.6089 297.9289 -161425.2519 -109223.9682 299.5138 249.1381 273.7704 759645.9342 11.2299 11.2539 PRESSURE: 4811600 -122.862 -146.853 29.0097 -146.853 -283.177 -43.1165 29.0108 -43.1164 188.912 GPRESSURE: 4811600 -62.6634 -132.385 -9.94581 -199.645 -250.423 -80.6294 9.39329 67.9147 189.636 PRESSAVG: 4811600 30.3659 -70.9635 -21.981 -70.9636 10.7658 -3.4439 -21.981 -3.44396 -11.2122 GPRESSAVG: 4811600 30.3118 -71.4519 -20.3222 -74.4775 10.3487 -3.28782 -22.5523 -4.15619 -11.5904 TIMING: 4811600 CPU: 15511.5, 0.0031263/step Wall: 15511.5, 0.0031263/step, 0.16361 hours remaining, 236.886719 MB of memory in use. ENERGY: 4811600 4022.3940 20553.2880 14530.0654 243.0609 -203438.5218 2532.6246 0.0000 0.0000 52000.5429 -109556.5459 298.8478 -161557.0889 -109204.1787 299.5842 -72.3758 -41.1501 761867.9572 9.9732 9.6900 PRESSURE: 4811800 -73.7984 99.3519 -116.454 99.3532 -345.224 -30.1274 -116.455 -30.1275 -370.193 GPRESSURE: 4811800 -12.721 -9.67629 -100.057 102.46 -341.55 33.9191 6.64547 -157.246 -360.561 PRESSAVG: 4811800 10.8854 -36.6368 48.0378 -36.6368 -41.5088 -45.6181 48.0378 -45.6181 -11.1673 GPRESSAVG: 4811800 9.99404 -36.6306 46.5507 -35.7837 -41.0436 -43.092 47.9326 -46.9806 -11.2213 TIMING: 4811800 CPU: 15512.1, 0.00315077/step Wall: 15512.1, 0.00315077/step, 0.164715 hours remaining, 236.886719 MB of memory in use. ENERGY: 4811800 3974.3838 20577.3467 14424.6398 231.1873 -203376.7769 2539.3791 0.0000 0.0000 51970.8159 -109659.0243 298.6770 -161629.8401 -109293.9647 299.2504 -263.0719 -238.2775 761493.4044 -13.9302 -14.0903 PRESSURE: 4812000 400.875 -273.257 151.682 -273.256 499.028 -117.967 151.682 -117.967 246.06 GPRESSURE: 4812000 469.715 -173.36 148.299 -238.265 529.947 -75.4214 61.2115 -171.077 230.55 PRESSAVG: 4812000 21.9495 -54.996 -2.84117 -54.996 8.0282 -17.8877 -2.84115 -17.8877 20.5073 GPRESSAVG: 4812000 21.9663 -53.1045 -2.59783 -56.3544 8.10008 -19.7318 -2.82397 -17.0158 20.5143 TIMING: 4812000 CPU: 15512.8, 0.00315366/step Wall: 15512.8, 0.00315366/step, 0.164691 hours remaining, 236.886719 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: 4812000 3962.8688 20487.3985 14481.8435 242.8365 -203865.2059 2913.9836 0.0000 0.0000 51919.5470 -109856.7280 298.3824 -161776.2750 -109496.2791 298.8721 381.9878 410.0707 759367.9881 16.8283 16.8602 PRESSURE: 4812200 412.303 55.7575 36.9781 55.7582 -196.956 -54.6947 36.9783 -54.6946 -309.903 GPRESSURE: 4812200 371.211 73.6296 -12.5485 136.423 -126.295 -48.0028 -72.8109 4.20347 -246.369 PRESSAVG: 4812200 15.7264 -48.2694 1.07752 -48.2694 -33.7812 -16.3534 1.07748 -16.3535 14.6211 GPRESSAVG: 4812200 14.9789 -48.1123 1.24147 -46.0729 -32.7082 -16.2538 1.31176 -16.5052 14.3581 TIMING: 4812200 CPU: 15513.4, 0.00313391/step Wall: 15513.4, 0.00313391/step, 0.163486 hours remaining, 236.886719 MB of memory in use. ENERGY: 4812200 3957.1356 20534.5230 14428.4965 242.3154 -203319.9330 2393.8571 0.0000 0.0000 51916.0853 -109847.5200 298.3625 -161763.6053 -109490.5220 298.7015 -31.5186 -0.4845 761317.5720 -1.1446 -1.1237 LDB: ============= START OF LOAD BALANCING ============== 15525.8 LDB: ============== END OF LOAD BALANCING =============== 15525.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15525.8 LDB: ============= START OF LOAD BALANCING ============== 15526.1 LDB: Largest compute 7075 load 0.033539 is 17.1% of average load 0.195641 LDB: Average compute 0.004384 is 2.2% of average load 0.195641 LDB: TIME 15526.1 LOAD: AVG 0.195641 MAX 0.21621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237 MB LDB: TIME 15526.1 LOAD: AVG 0.195641 MAX 0.21621 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: TIME 15526.1 LOAD: AVG 0.195641 MAX 0.21621 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: ============== END OF LOAD BALANCING =============== 15526.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15526.1 PRESSURE: 4812400 82.3493 60.8683 -342.232 60.8685 -61.7246 -338.509 -342.233 -338.509 25.4335 GPRESSURE: 4812400 72.7349 39.7214 -303.101 10.87 56.3869 -283.079 -257.028 -240.038 12.6582 PRESSAVG: 4812400 1.01604 -23.8404 -38.9918 -23.8404 -20.6186 12.9047 -38.9919 12.9046 2.03866 GPRESSAVG: 4812400 2.27076 -26.0311 -41.4286 -24.9294 -22.1652 13.4931 -37.2409 11.9923 2.37179 TIMING: 4812400 CPU: 15514, 0.00317642/step Wall: 15514, 0.00317642/step, 0.165527 hours remaining, 236.023438 MB of memory in use. ENERGY: 4812400 3980.1515 20355.4400 14496.7640 245.9048 -203255.6403 2271.5866 0.0000 0.0000 51931.4783 -109974.3152 298.4509 -161905.7935 -109615.7608 298.2951 15.3528 47.2600 761232.2257 -5.8546 -5.8409 PRESSURE: 4812600 -208.983 -1.69145 -224.186 -1.69233 -67.6684 -51.7244 -224.187 -51.7252 -166.236 GPRESSURE: 4812600 -85.1707 -14.0752 -126.398 12.3425 -97.4501 -40.1022 -247.696 -98.6875 -148.704 PRESSAVG: 4812600 -42.6692 -32.1862 -15.0101 -32.1862 14.0061 14.6463 -15.01 14.6462 -4.9636 GPRESSAVG: 4812600 -42.6486 -31.6254 -12.8655 -33.3844 13.6443 15.9949 -14.8602 14.2597 -4.60858 TIMING: 4812600 CPU: 15514.6, 0.0031137/step Wall: 15514.6, 0.0031137/step, 0.162085 hours remaining, 236.539062 MB of memory in use. ENERGY: 4812600 4016.1661 20372.9656 14455.4629 248.3113 -203666.5600 2777.6289 0.0000 0.0000 51879.3617 -109916.6637 298.1514 -161796.0253 -109552.6697 298.7777 -147.6290 -110.4415 761687.0833 -11.2089 -11.2043 PRESSURE: 4812800 -257.088 -122.134 104.915 -122.134 153.952 21.1926 104.916 21.1925 115.685 GPRESSURE: 4812800 -238.579 -159.491 -133.328 51.2782 171.064 -6.44423 291.343 145.846 175.467 PRESSAVG: 4812800 0.164682 -49.0797 -30.2743 -49.0797 10.9238 42.7984 -30.2744 42.7983 0.0644125 GPRESSAVG: 4812800 -1.45727 -49.9501 -31.2163 -46.9077 11.1122 40.0777 -30.7226 43.6783 0.84065 TIMING: 4812800 CPU: 15515.3, 0.00309876/step Wall: 15515.3, 0.00309876/step, 0.161135 hours remaining, 236.539062 MB of memory in use. ENERGY: 4812800 3924.8524 20485.1372 14405.7721 237.6519 -204038.4871 2894.7155 0.0000 0.0000 51901.0262 -110189.3317 298.2759 -162090.3579 -109830.0096 297.7595 4.1829 35.9840 761315.5655 3.7176 3.4985 PRESSURE: 4813000 -36.5245 -237.972 -58.4807 -237.972 159.39 3.98442 -58.4806 3.9841 -1.98359 GPRESSURE: 4813000 81.3823 -179.227 -17.569 -253.642 15.8762 -15.7512 -7.09335 139.251 86.7949 PRESSAVG: 4813000 -3.81116 -52.8746 -20.9852 -52.8746 -15.7071 46.4288 -20.9852 46.4288 -6.8128 GPRESSAVG: 4813000 -3.21787 -49.3792 -19.2453 -53.279 -14.7399 47.7224 -21.521 46.9027 -8.66038 TIMING: 4813000 CPU: 15515.9, 0.00314909/step Wall: 15515.9, 0.00314909/step, 0.163578 hours remaining, 236.539062 MB of memory in use. ENERGY: 4813000 4039.0797 20573.7772 14416.3709 243.7480 -203680.2054 2600.0509 0.0000 0.0000 51723.2567 -110083.9218 297.2543 -161807.1786 -109736.3691 297.7918 40.2941 61.3511 761758.8356 -8.7770 -8.8727 PRESSURE: 4813200 186.088 -30.8205 0.859338 -30.8221 -158.243 26.1994 0.860058 26.1986 -29.6383 GPRESSURE: 4813200 126.888 -60.3835 -29.2094 9.8275 14.4936 49.7793 6.96012 -83.893 -50.291 PRESSAVG: 4813200 50.5075 -80.7087 26.1664 -80.7087 -16.8988 37.8252 26.1665 37.8252 -5.76785 GPRESSAVG: 4813200 50.3244 -83.0703 25.9401 -81.2014 -16.9809 35.9796 28.3607 38.2493 -5.17302 TIMING: 4813200 CPU: 15516.5, 0.00313242/step Wall: 15516.5, 0.00313242/step, 0.162538 hours remaining, 236.539062 MB of memory in use. ENERGY: 4813200 3981.8750 20547.7568 14425.2240 240.7057 -203408.8280 2531.6994 0.0000 0.0000 51618.0535 -110063.5135 296.6497 -161681.5670 -109710.0980 298.0664 -0.5978 30.3635 762770.7360 9.2803 9.3902 PRESSURE: 4813400 -151.047 -63.3856 19.6244 -63.3861 -128.434 252.973 19.6241 252.973 5.91277 GPRESSURE: 4813400 -5.58662 -102 45.8749 -140.829 -139.475 235.531 72.2472 343.138 -31.6404 PRESSAVG: 4813400 -33.6848 -72.299 51.4631 -72.2991 31.72 67.1701 51.4631 67.1703 5.68329 GPRESSAVG: 4813400 -31.5212 -73.2489 51.5326 -73.045 30.7406 69.695 49.2611 67.216 4.73851 TIMING: 4813400 CPU: 15517.1, 0.00310654/step Wall: 15517.1, 0.00310654/step, 0.161022 hours remaining, 236.539062 MB of memory in use. ENERGY: 4813400 4027.1801 20408.1182 14557.7857 241.7676 -203603.5459 2536.9802 0.0000 0.0000 51793.6171 -110038.0971 297.6586 -161831.7142 -109677.8542 298.1571 -91.1894 -58.9008 761193.2360 1.2395 1.3193 PRESSURE: 4813600 -106.293 177.364 -142.998 177.364 27.3382 14.7004 -142.999 14.7012 -68.3535 GPRESSURE: 4813600 -85.1834 227.799 -97.8663 262.777 -6.37035 -30.3798 -96.1537 9.2156 3.22523 PRESSAVG: 4813600 25.7866 -86.9963 53.7521 -86.9963 -2.08273 12.2232 53.7521 12.2231 9.82931 GPRESSAVG: 4813600 24.61 -87.4165 53.6508 -83.9525 -2.74398 12.6441 53.3968 10.8404 11.224 TIMING: 4813600 CPU: 15517.8, 0.00312027/step Wall: 15517.8, 0.00312027/step, 0.161561 hours remaining, 236.539062 MB of memory in use. ENERGY: 4813600 4007.6277 20669.9366 14513.7622 256.1504 -203777.2199 2518.6430 0.0000 0.0000 51795.5637 -110015.5364 297.6698 -161811.1001 -109661.5970 298.1337 -49.1027 -29.4428 761494.2123 11.1777 11.0300 PRESSURE: 4813800 -248.781 59.7581 147.958 59.757 109.002 15.2053 147.957 15.2047 -110.083 GPRESSURE: 4813800 -216.343 57.7264 137.786 33.256 160.431 46.195 130.087 44.5605 -107.915 PRESSAVG: 4813800 -0.40584 5.29067 67.859 5.29066 8.11954 55.4595 67.859 55.4595 9.92195 GPRESSAVG: 4813800 -0.231564 5.74328 68.6828 3.03585 8.04938 54.8262 68.3515 55.609 9.80595 TIMING: 4813800 CPU: 15518.4, 0.00311666/step Wall: 15518.4, 0.00311666/step, 0.161201 hours remaining, 236.539062 MB of memory in use. ENERGY: 4813800 3955.1198 20492.5144 14489.4654 248.7782 -203556.2724 2362.3501 0.0000 0.0000 51986.7966 -110021.2480 298.7688 -162008.0445 -109648.0945 298.3537 -83.2875 -54.6089 760882.8885 5.8786 5.8746 PRESSURE: 4814000 121.152 139.891 -105.644 139.891 62.6133 -66.4395 -105.644 -66.4386 -194.163 GPRESSURE: 4814000 269.969 67.0048 -98.1802 62.5348 33.5484 -56.6917 -59.5224 -37.2455 -208.717 PRESSAVG: 4814000 1.45702 52.9223 10.402 52.9222 -36.0838 19.9122 10.4021 19.9122 -28.2314 GPRESSAVG: 4814000 1.08116 55.2339 10.6553 51.694 -35.0754 19.2379 11.8044 21.6094 -28.8424 TIMING: 4814000 CPU: 15519, 0.00311925/step Wall: 15519, 0.00311925/step, 0.161161 hours remaining, 236.539062 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: 4814000 3984.4491 20322.9815 14454.6102 265.9334 -203618.7668 2572.1981 0.0000 0.0000 51865.7422 -110152.8523 298.0731 -162018.5945 -109796.3266 298.4649 -3.4659 31.6003 760548.5026 -20.9527 -20.9455 PRESSURE: 4814200 -160.457 -41.7613 173.785 -41.7611 -217.747 93.6947 173.784 93.6938 -150.636 GPRESSURE: 4814200 -56.2901 -139.485 241.84 -64.9328 -214.848 98.5816 83.2325 3.6238 -185.036 PRESSAVG: 4814200 45.6949 -50.5934 -30.6166 -50.5934 -30.9064 11.1582 -30.6165 11.1581 19.9649 GPRESSAVG: 4814200 47.4038 -51.2808 -29.5492 -49.6295 -32.133 9.80293 -32.4502 12.5361 19.6119 TIMING: 4814200 CPU: 15519.6, 0.0031172/step Wall: 15519.6, 0.0031172/step, 0.160882 hours remaining, 236.539062 MB of memory in use. ENERGY: 4814200 4099.6281 20450.2410 14447.9174 244.5041 -203410.0479 2456.4699 0.0000 0.0000 51751.3367 -109959.9505 297.4156 -161711.2872 -109599.7185 298.4788 -176.2799 -152.0578 760785.5943 11.5845 11.6276 PRESSURE: 4814400 -131.072 5.44801 61.4776 5.4481 99.5854 -161.018 61.4783 -161.019 -102.121 GPRESSURE: 4814400 -128.778 78.0461 114.567 -32.8457 76.512 -56.0062 30.8802 -155.826 -0.686464 PRESSAVG: 4814400 24.5175 -38.7821 -11.7268 -38.7821 -6.55222 28.2029 -11.7268 28.2029 -6.38143 GPRESSAVG: 4814400 23.3542 -40.1514 -15.0424 -39.0837 -6.51667 31.0382 -9.67764 27.0412 -5.67388 TIMING: 4814400 CPU: 15520.3, 0.00311867/step Wall: 15520.3, 0.00311867/step, 0.160785 hours remaining, 236.539062 MB of memory in use. ENERGY: 4814400 4010.2362 20551.0598 14461.2915 230.4368 -203562.2964 2560.5281 0.0000 0.0000 51834.7156 -109914.0285 297.8948 -161748.7441 -109550.4807 298.4600 -44.5359 -17.6507 760355.8423 3.8613 3.7212 PRESSURE: 4814600 153.578 -77.3416 236.837 -77.3409 250.896 -116.237 236.836 -116.237 -159.065 GPRESSURE: 4814600 279.453 -106.464 164.861 -130.848 253.502 -87.7911 318.063 -304.751 -180.555 PRESSAVG: 4814600 40.0657 9.82655 43.2718 9.82653 -75.8491 -26.4891 43.2718 -26.4891 4.29417 GPRESSAVG: 4814600 39.6079 7.92971 44.7305 11.0072 -74.4654 -28.4999 41.0055 -28.0906 3.71315 TIMING: 4814600 CPU: 15520.9, 0.00311594/step Wall: 15520.9, 0.00311594/step, 0.160471 hours remaining, 236.539062 MB of memory in use. ENERGY: 4814600 3977.3129 20537.7460 14442.3251 247.7879 -203639.5847 2837.4971 0.0000 0.0000 51835.0025 -109761.9131 297.8965 -161596.9156 -109405.2413 298.1560 81.8028 117.4667 761712.0340 -10.4964 -10.3814 PRESSURE: 4814800 53.2461 -155.498 -8.63189 -155.498 -123.392 -99.1088 -8.63212 -99.1091 206.584 GPRESSURE: 4814800 90.2422 -260.743 -49.4992 -220.634 -50.3654 -152.399 -77.1709 26.7104 185.213 PRESSAVG: 4814800 81.6061 -75.0531 15.8251 -75.0531 -18.1541 11.0383 15.8252 11.0383 -2.03406 GPRESSAVG: 4814800 82.6919 -74.9176 16.6908 -73.8878 -19.3956 11.0131 15.856 14.3047 -2.60941 TIMING: 4814800 CPU: 15521.5, 0.00310492/step Wall: 15521.5, 0.00310492/step, 0.159731 hours remaining, 236.539062 MB of memory in use. ENERGY: 4814800 3973.9727 20594.6013 14445.7914 266.1803 -203859.4079 2866.4843 0.0000 0.0000 51952.1009 -109760.2771 298.5694 -161712.3779 -109405.8850 298.8221 45.4794 75.0300 761425.9289 20.4726 20.2290 PRESSURE: 4815000 -106.665 -198.396 -147.134 -198.396 352.053 69.0875 -147.134 69.0879 204.251 GPRESSURE: 4815000 -15.6238 -186.394 -168.811 -76.2964 387.846 54.6708 -155.925 56.0205 169.458 PRESSAVG: 4815000 0.686407 -109.165 34.3698 -109.165 -10.5357 12.1755 34.3697 12.1756 19.9714 GPRESSAVG: 4815000 0.668917 -106.815 34.2866 -110.224 -10.2459 12.6084 35.0487 12.449 20.0013 TIMING: 4815000 CPU: 15522.1, 0.00310177/step Wall: 15522.1, 0.00310177/step, 0.159397 hours remaining, 236.539062 MB of memory in use. ENERGY: 4815000 3921.2032 20467.6205 14507.3231 256.5767 -203479.0602 2699.4249 0.0000 0.0000 51904.6605 -109722.2514 298.2968 -161626.9118 -109357.8655 298.7735 149.8798 180.5600 762336.3412 3.3740 3.4748 PRESSURE: 4815200 -434.338 -75.3952 92.7771 -75.3954 -151.324 25.4106 92.7771 25.4097 111.543 GPRESSURE: 4815200 -350.561 -177.54 51.4188 -96.362 -135.854 5.59212 156.592 -55.668 85.604 PRESSAVG: 4815200 60.8152 -70.2121 -44.5086 -70.2121 -44.3115 1.86961 -44.5087 1.86965 -12.7544 GPRESSAVG: 4815200 61.3575 -71.1672 -45.4265 -70.9213 -45.4982 2.54233 -42.4412 -1.37255 -12.1341 TIMING: 4815200 CPU: 15522.7, 0.00311597/step Wall: 15522.7, 0.00311597/step, 0.159953 hours remaining, 236.539062 MB of memory in use. ENERGY: 4815200 3995.0510 20301.1157 14499.5886 274.0353 -203224.1531 2377.2731 0.0000 0.0000 52214.5860 -109562.5035 300.0779 -161777.0895 -109196.5691 298.6659 -158.0395 -133.6036 763147.2239 1.2497 1.2417 PRESSURE: 4815400 -54.8441 -117.329 -126.096 -117.329 167.837 -24.249 -126.096 -24.2491 -91.2513 GPRESSURE: 4815400 -17.9533 -82.0308 -158.615 -119.989 251.707 -64.956 -279.226 14.452 -134.193 PRESSAVG: 4815400 33.2969 -61.1055 24.6205 -61.1055 -32.9953 4.8049 24.6205 4.8049 4.04351 GPRESSAVG: 4815400 33.6249 -60.3217 25.0079 -60.0203 -32.4443 3.54086 20.8945 7.02491 4.32087 TIMING: 4815400 CPU: 15523.4, 0.00312971/step Wall: 15523.4, 0.00312971/step, 0.160485 hours remaining, 236.539062 MB of memory in use. ENERGY: 4815400 4045.7896 20574.2410 14458.0199 247.5975 -203432.3803 2765.0136 0.0000 0.0000 51780.1401 -109561.5785 297.5812 -161341.7186 -109210.0264 298.7588 7.2471 33.1870 761225.7623 1.4484 1.8338 PRESSURE: 4815600 76.4173 105.136 -62.8216 105.136 -39.8394 23.6312 -62.8218 23.6308 -222.541 GPRESSURE: 4815600 167.535 -10.2622 -39.1157 94.9284 -54.1929 -7.68196 -221.148 42.997 -219.922 PRESSAVG: 4815600 12.9939 -52.5014 0.728225 -52.5014 43.4791 13.4241 0.728204 13.4241 15.0592 GPRESSAVG: 4815600 13.6229 -51.2801 1.28305 -55.0433 43.9717 12.0318 1.90038 13.1707 13.8532 TIMING: 4815600 CPU: 15524, 0.00311965/step Wall: 15524, 0.00311965/step, 0.159795 hours remaining, 236.539062 MB of memory in use. ENERGY: 4815600 3976.8261 20514.4903 14460.8139 249.1954 -203058.4118 2402.5498 0.0000 0.0000 52018.4868 -109436.0495 298.9510 -161454.5363 -109067.2684 298.8783 -61.9877 -35.5268 761722.8792 23.8441 23.8159 PRESSURE: 4815800 8.61296 -259.206 169.152 -259.207 127.788 -151.998 169.152 -151.998 70.6269 GPRESSURE: 4815800 125.141 -78.7124 111.638 -216.077 103.76 -130.756 202.518 -99.5259 79.9759 PRESSAVG: 4815800 24.6792 18.7101 -0.989796 18.7102 -13.789 45.7029 -0.989713 45.7028 6.71589 GPRESSAVG: 4815800 24.1711 17.214 -2.16693 19.3323 -13.9256 47.8957 -1.09467 45.1405 6.83129 TIMING: 4815800 CPU: 15524.6, 0.00312565/step Wall: 15524.6, 0.00312565/step, 0.159929 hours remaining, 236.539062 MB of memory in use. ENERGY: 4815800 3971.4926 20411.4377 14496.7417 253.0634 -203313.2931 2476.1851 0.0000 0.0000 52392.6741 -109311.6986 301.1014 -161704.3727 -108945.1278 299.4942 69.0093 102.9589 760735.4089 5.8687 5.6923 PRESSURE: 4816000 49.4632 -134.642 -265.851 -134.641 224.262 229.097 -265.852 229.097 -116.826 GPRESSURE: 4816000 16.7181 -198.429 -235.826 -14.2446 321.291 166.128 -163.405 301.945 -100.662 PRESSAVG: 4816000 9.24433 -30.1033 -12.504 -30.1033 31.3087 19.7286 -12.5041 19.7286 -2.70002 GPRESSAVG: 4816000 9.121 -30.7037 -11.9071 -27.6796 30.4814 19.9198 -12.6927 20.1985 -2.89616 TIMING: 4816000 CPU: 15525.2, 0.00311748/step Wall: 15525.2, 0.00311748/step, 0.159338 hours remaining, 236.539062 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: 4816000 3909.5250 20568.9721 14525.6629 260.0062 -203126.0188 2398.9665 0.0000 0.0000 52165.9856 -109296.9006 299.7986 -161462.8862 -108933.1164 300.3837 52.2997 79.1156 760616.3843 12.6177 12.2354 PRESSURE: 4816200 -263.88 37.9952 227.534 37.9947 149.806 76.6817 227.533 76.6812 -38.6238 GPRESSURE: 4816200 -226.199 -67.3047 260.991 -26.8706 152.71 109.023 199.484 149.839 -19.0354 PRESSAVG: 4816200 12.8571 -26.3073 12.2197 -26.3073 4.43677 55.5952 12.2197 55.5952 -3.51238 GPRESSAVG: 4816200 13.4135 -26.7332 11.0746 -27.2719 4.32405 55.6906 13.5792 54.8986 -4.27745 TIMING: 4816200 CPU: 15525.9, 0.00311077/step Wall: 15525.9, 0.00311077/step, 0.158822 hours remaining, 236.539062 MB of memory in use. ENERGY: 4816200 3981.2169 20639.4916 14517.1606 250.4401 -203672.8507 2789.3394 0.0000 0.0000 52293.5778 -109201.6244 300.5319 -161495.2022 -108845.0454 300.1057 -50.8991 -30.8416 760930.3444 4.5938 4.4867 LDB: ============= START OF LOAD BALANCING ============== 15538.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15538.3 LDB: =============== DONE WITH MIGRATION ================ 15538.3 LDB: ============= START OF LOAD BALANCING ============== 15538.6 LDB: Largest compute 7075 load 0.036036 is 18.4% of average load 0.195556 LDB: Average compute 0.004379 is 2.2% of average load 0.195556 LDB: TIME 15538.6 LOAD: AVG 0.195556 MAX 0.215395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 15538.6 LOAD: AVG 0.195556 MAX 0.215395 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.188 MB LDB: TIME 15538.6 LOAD: AVG 0.195556 MAX 0.215395 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.188 MB LDB: ============== END OF LOAD BALANCING =============== 15538.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15538.6 PRESSURE: 4816400 -287.462 -180.198 -87.0703 -180.198 -106.234 218.438 -87.071 218.438 82.6929 GPRESSURE: 4816400 -262.427 -73.6819 -162.577 -140.482 -71.7337 207.198 -8.20465 113.288 107.215 PRESSAVG: 4816400 -29.9962 8.36673 -9.39963 8.36684 35.257 63.216 -9.39957 63.216 19.626 GPRESSAVG: 4816400 -31.2561 10.3932 -8.40428 7.97579 35.5986 63.5224 -9.28005 64.0733 20.55 TIMING: 4816400 CPU: 15526.5, 0.00318177/step Wall: 15526.5, 0.00318177/step, 0.16227 hours remaining, 234.625000 MB of memory in use. ENERGY: 4816400 3955.8007 20564.8023 14521.2005 240.5702 -203205.4345 2389.1027 0.0000 0.0000 52096.7051 -109437.2529 299.4005 -161533.9580 -109072.6676 299.8411 -103.6675 -75.6486 760442.3728 8.2956 8.2975 PRESSURE: 4816600 -86.5903 -162.078 173.223 -162.078 100.315 -42.4249 173.222 -42.4255 -208.054 GPRESSURE: 4816600 -80.5793 -20.0185 71.5147 -66.5372 203.763 -5.75048 -19.4973 -88.5125 -231.796 PRESSAVG: 4816600 -23.6967 -65.9134 -60.3882 -65.9134 17.175 9.65455 -60.3882 9.65455 0.398643 GPRESSAVG: 4816600 -23.9257 -66.9212 -60.394 -64.7504 16.5423 8.50642 -61.5867 10.0675 0.993872 TIMING: 4816600 CPU: 15527.1, 0.00311886/step Wall: 15527.1, 0.00311886/step, 0.158889 hours remaining, 234.828125 MB of memory in use. ENERGY: 4816600 4046.0276 20458.9406 14454.3607 225.8424 -203371.0449 2675.3864 0.0000 0.0000 51962.8166 -109547.6706 298.6310 -161510.4872 -109189.1957 299.1792 -64.7763 -36.2041 761568.4408 -2.0410 -2.1298 PRESSURE: 4816800 -12.3097 11.2921 -89.2926 11.2921 -32.9799 -145.006 -89.2925 -145.007 -20.6669 GPRESSURE: 4816800 -12.8566 13.5268 -45.2607 26.5978 -44.6827 -45.3804 114.478 -111.293 53.8491 PRESSAVG: 4816800 -6.96339 -67.9754 -17.5083 -67.9754 -10.1202 62.3177 -17.5083 62.3178 9.07201 GPRESSAVG: 4816800 -7.39747 -67.4481 -16.7642 -68.4245 -9.46837 64.1187 -17.8838 61.7685 9.02184 TIMING: 4816800 CPU: 15527.8, 0.00312113/step Wall: 15527.8, 0.00312113/step, 0.158831 hours remaining, 235.027344 MB of memory in use. ENERGY: 4816800 3989.0536 20558.7309 14402.3287 228.6360 -203294.3100 2446.4460 0.0000 0.0000 51984.9829 -109684.1319 298.7584 -161669.1148 -109306.3923 299.4683 -21.9855 -1.2301 761564.5327 -2.6705 -2.6147 PRESSURE: 4817000 313.386 -68.0109 59.7315 -68.0116 159.289 19.2462 59.7318 19.2467 17.6078 GPRESSURE: 4817000 321.472 -25.4056 104.089 -12.1894 174.078 65.27 103.894 -95.0445 101.4 PRESSAVG: 4817000 39.7223 -30.7334 -18.5968 -30.7334 6.1301 -29.0839 -18.5968 -29.0838 10.0844 GPRESSAVG: 4817000 40.7696 -30.4967 -18.9283 -31.809 6.38972 -29.5184 -15.5651 -28.7179 9.21074 TIMING: 4817000 CPU: 15528.4, 0.00312315/step Wall: 15528.4, 0.00312315/step, 0.15876 hours remaining, 235.027344 MB of memory in use. ENERGY: 4817000 3999.0869 20466.7168 14507.7888 270.7745 -203374.0490 2588.2468 0.0000 0.0000 52195.7078 -109345.7274 299.9695 -161541.4352 -108988.5416 298.8859 163.4277 198.9834 760614.3864 18.6456 18.7900 PRESSURE: 4817200 -207.245 -194.998 -41.3782 -194.997 -131.665 -0.975186 -41.3777 -0.975461 47.4855 GPRESSURE: 4817200 -230.338 -157.324 15.3424 -124.746 -115.371 -28.0138 -135.338 59.6709 146.166 PRESSAVG: 4817200 26.7535 -3.45187 45.0962 -3.45184 -44.2108 -17.2281 45.0963 -17.2281 -18.3236 GPRESSAVG: 4817200 26.5388 -4.51457 45.861 -1.45366 -44.8019 -17.6382 42.8171 -18.9763 -17.4592 TIMING: 4817200 CPU: 15529, 0.00313287/step Wall: 15529, 0.00313287/step, 0.15908 hours remaining, 235.027344 MB of memory in use. ENERGY: 4817200 3994.3238 20609.2849 14439.1816 231.8733 -203458.6272 2642.2242 0.0000 0.0000 51955.0358 -109586.7036 298.5863 -161541.7394 -109221.2727 299.2683 -97.1416 -66.5144 762992.8291 -11.9270 -11.9074 PRESSURE: 4817400 26.2267 173.776 37.9255 173.776 68.9493 -94.4295 37.9258 -94.4305 -121.904 GPRESSURE: 4817400 96.404 145.068 21.2984 22.4757 5.01154 -33.0271 34.139 47.0414 -35.9942 PRESSAVG: 4817400 12.6782 -2.94446 0.89478 -2.94437 -26.4406 44.4978 0.894771 44.4977 -9.21029 GPRESSAVG: 4817400 12.9287 -1.57232 0.256656 -4.00183 -25.4524 42.4034 1.05907 48.2007 -10.2655 TIMING: 4817400 CPU: 15529.6, 0.00310088/step Wall: 15529.6, 0.00310088/step, 0.157283 hours remaining, 235.027344 MB of memory in use. ENERGY: 4817400 4011.3252 20435.5012 14488.1861 244.8016 -203717.9970 2828.0193 0.0000 0.0000 52055.8333 -109654.3303 299.1656 -161710.1635 -109295.6282 298.9659 -8.9092 21.8071 760949.4878 -7.6576 -7.5964 PRESSURE: 4817600 285.07 -55.1136 -24.0303 -55.1144 4.12931 -8.30786 -24.0299 -8.3071 -36.634 GPRESSURE: 4817600 343.496 -69.4649 -28.257 -141 -26.8828 70.6807 -39.9104 -32.9032 40.3924 PRESSAVG: 4817600 5.53302 0.585138 -27.5596 0.585074 33.9187 31.992 -27.5595 31.992 -11.2016 GPRESSAVG: 4817600 4.7336 0.627865 -25.7752 0.141099 33.8841 32.4876 -28.7867 31.6335 -10.4143 TIMING: 4817600 CPU: 15530.2, 0.00309415/step Wall: 15530.2, 0.00309415/step, 0.15677 hours remaining, 235.027344 MB of memory in use. ENERGY: 4817600 3988.9592 20669.6636 14474.4735 246.7611 -203532.6612 2680.9879 0.0000 0.0000 51735.2759 -109736.5400 297.3233 -161471.8159 -109395.7398 298.8427 84.1885 119.0018 760793.9150 9.4167 9.4011 PRESSURE: 4817800 20.746 25.0638 -98.6073 25.0641 127.607 10.1314 -98.6071 10.1307 -157.336 GPRESSURE: 4817800 46.0112 47.8243 -117.101 33.745 190.201 64.1639 45.5121 37.7986 -156.838 PRESSAVG: 4817800 27.4518 -4.68688 -30.5794 -4.68692 5.3435 -2.45237 -30.5794 -2.45237 -25.4464 GPRESSAVG: 4817800 27.3222 -5.05802 -32.6201 -2.95786 6.13749 -0.824025 -27.4964 -4.70161 -26.6416 TIMING: 4817800 CPU: 15530.9, 0.00311105/step Wall: 15530.9, 0.00311105/step, 0.157454 hours remaining, 235.027344 MB of memory in use. ENERGY: 4817800 3965.2259 20674.3318 14578.9987 240.4486 -203688.6293 2592.9558 0.0000 0.0000 52168.3509 -109468.3176 299.8122 -161636.6685 -109108.2587 299.0431 -2.9945 26.4579 760125.7861 2.4496 2.2727 PRESSURE: 4818000 58.1571 -171.067 -81.8452 -171.067 -418.624 164.246 -81.844 164.246 -40.9579 GPRESSURE: 4818000 102.349 -135.352 -108.829 -93.8065 -464.731 155.025 36.5195 180.417 64.6648 PRESSAVG: 4818000 -22.7253 19.7103 -17.0426 19.7103 13.8301 38.6576 -17.0425 38.6576 -17.8738 GPRESSAVG: 4818000 -22.0494 20.982 -15.1349 20.6032 11.6761 39.3894 -17.3992 39.2965 -16.046 TIMING: 4818000 CPU: 15531.5, 0.00309825/step Wall: 15531.5, 0.00309825/step, 0.156634 hours remaining, 235.027344 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: 4818000 4005.3827 20737.9583 14479.1629 232.9515 -203733.2937 2821.3574 0.0000 0.0000 51699.3888 -109757.0921 297.1171 -161456.4809 -109398.7702 298.8342 -133.8083 -99.2394 761729.7512 -8.9230 -8.8064 PRESSURE: 4818200 -142.587 107.653 55.9791 107.652 -66.8932 38.622 55.9779 38.6223 -319.502 GPRESSURE: 4818200 -111.448 -57.7021 -20.4015 52.6416 -131.092 42.4935 -21.5075 18.2621 -213.688 PRESSAVG: 4818200 13.9177 3.02354 -8.06431 3.02356 -22.8896 -34.0816 -8.06432 -34.0816 -21.1624 GPRESSAVG: 4818200 14.4383 2.13214 -9.86645 1.04356 -22.5397 -34.204 -9.04339 -33.7789 -21.7336 TIMING: 4818200 CPU: 15532.1, 0.00309473/step Wall: 15532.1, 0.00309473/step, 0.156284 hours remaining, 235.027344 MB of memory in use. ENERGY: 4818200 4020.0766 20570.5071 14520.8562 238.5327 -203628.3793 2477.1695 0.0000 0.0000 51917.2767 -109883.9604 298.3693 -161801.2371 -109528.3180 298.5772 -176.3275 -152.0761 762445.5079 -10.0448 -9.9450 PRESSURE: 4818400 -73.0022 -35.3779 186.01 -35.3773 -191.663 201.244 186.01 201.242 -183.921 GPRESSURE: 4818400 -17.3417 37.9047 133.049 51.0194 -157.673 158.612 163.878 201.906 -197.783 PRESSAVG: 4818400 39.9224 1.5438 2.97165 1.5438 -42.8556 53.5588 2.97166 53.5589 -19.6385 GPRESSAVG: 4818400 38.1356 1.00639 3.31125 1.7102 -40.6899 53.0038 1.61065 53.6383 -20.283 TIMING: 4818400 CPU: 15532.7, 0.00309835/step Wall: 15532.7, 0.00309835/step, 0.156294 hours remaining, 235.027344 MB of memory in use. ENERGY: 4818400 4011.9555 20584.4945 14425.4669 250.2099 -203524.8440 2622.6021 0.0000 0.0000 51751.5923 -109878.5226 297.4171 -161630.1149 -109524.4407 298.5440 -149.5286 -124.2659 762300.0921 -7.5239 -7.6124 PRESSURE: 4818600 -103.193 12.4453 -61.4736 12.4455 -210.289 63.149 -61.4749 63.1472 -83.9122 GPRESSURE: 4818600 -93.2129 40.7986 -43.1896 90.8007 -148.743 71.0308 -63.9639 54.4536 -63.8228 PRESSAVG: 4818600 5.01833 -34.4508 -22.6405 -34.4508 5.45132 25.3227 -22.6404 25.3228 -10.3628 GPRESSAVG: 4818600 5.89933 -34.7027 -20.7435 -36.1424 4.94146 25.7738 -22.3151 23.828 -10.9317 TIMING: 4818600 CPU: 15533.3, 0.00309735/step Wall: 15533.3, 0.00309735/step, 0.156072 hours remaining, 235.027344 MB of memory in use. ENERGY: 4818600 4025.0371 20512.5148 14481.9930 229.4228 -203703.8785 2673.0837 0.0000 0.0000 52077.8471 -109703.9801 299.2921 -161781.8272 -109343.2251 298.3225 -132.4647 -101.9261 762326.6925 0.0356 -0.0303 PRESSURE: 4818800 -138.896 -78.3684 -159.929 -78.368 -151.493 205.847 -159.929 205.847 67.6377 GPRESSURE: 4818800 -117.624 -36.6405 -160.911 -41.5236 -95.9186 148.792 -120.039 144.397 76.6978 PRESSAVG: 4818800 -15.6657 -59.5312 -54.1306 -59.5312 27.741 12.7599 -54.1307 12.7599 10.5557 GPRESSAVG: 4818800 -16.5973 -58.9799 -55.0252 -57.6473 27.3114 12.6046 -53.8322 12.5955 11.6534 TIMING: 4818800 CPU: 15534, 0.00309431/step Wall: 15534, 0.00309431/step, 0.155747 hours remaining, 235.027344 MB of memory in use. ENERGY: 4818800 3979.7744 20577.5445 14459.6480 250.4802 -203541.6417 2581.1030 0.0000 0.0000 52048.9620 -109644.1296 299.1261 -161693.0916 -109281.0531 298.8214 -74.2506 -45.6150 761400.4620 7.5436 7.4558 PRESSURE: 4819000 453.473 -15.3063 -2.16932 -15.3065 -360.896 15.6441 -2.16928 15.645 -215.677 GPRESSURE: 4819000 307.701 8.93386 45.5539 4.78324 -162.066 -70.3361 35.0638 120.382 -171.799 PRESSAVG: 4819000 39.0308 -53.9448 -66.2981 -53.9448 -25.9269 48.0019 -66.2981 48.0019 11.4402 GPRESSAVG: 4819000 39.8522 -54.4847 -67.7626 -53.6458 -25.1852 46.3567 -63.2075 51.5711 9.367 TIMING: 4819000 CPU: 15534.6, 0.00311426/step Wall: 15534.6, 0.00311425/step, 0.156578 hours remaining, 235.027344 MB of memory in use. ENERGY: 4819000 4085.6902 20610.4804 14500.1726 247.8731 -203482.2868 2456.7193 0.0000 0.0000 51785.3895 -109795.9618 297.6113 -161581.3512 -109424.7017 298.8151 -41.0332 -8.7215 760841.8162 8.1814 8.0113 PRESSURE: 4819200 -82.9758 -31.5305 237.192 -31.5316 -303.419 7.54585 237.193 7.5461 397.415 GPRESSURE: 4819200 -78.5586 -148.135 178.416 -59.6205 -245.07 79.7488 34.3012 28.0378 401.757 PRESSAVG: 4819200 55.2706 -0.40307 27.2951 -0.403027 -30.4028 -21.0031 27.2951 -21.0032 6.14454 GPRESSAVG: 4819200 55.4877 -0.254958 28.6734 -1.38154 -31.6095 -19.5221 25.1037 -22.7408 6.97345 TIMING: 4819200 CPU: 15535.2, 0.00309739/step Wall: 15535.2, 0.00309739/step, 0.155558 hours remaining, 235.027344 MB of memory in use. ENERGY: 4819200 3917.5076 20592.9593 14551.6957 243.0217 -203230.7555 2295.6743 0.0000 0.0000 51784.4546 -109845.4424 297.6060 -161629.8969 -109480.9357 298.6592 3.6734 26.0428 761563.0147 10.3374 10.2839 PRESSURE: 4819400 -507.78 -34.5421 -228.067 -34.5417 -27.8649 -15.9883 -228.067 -15.9888 -360.336 GPRESSURE: 4819400 -432.678 11.0796 -278.432 -129.723 -31.8753 29.4911 -124.962 78.2667 -324.94 PRESSAVG: 4819400 -15.0278 -23.3039 3.95289 -23.3038 32.6425 -2.75104 3.95289 -2.75108 14.7541 GPRESSAVG: 4819400 -14.9398 -25.2538 2.75608 -21.969 33.1585 -4.1692 2.85427 -3.53978 14.353 TIMING: 4819400 CPU: 15535.8, 0.00310774/step Wall: 15535.8, 0.00310774/step, 0.155905 hours remaining, 235.027344 MB of memory in use. ENERGY: 4819400 3942.9650 20564.6604 14433.1506 252.2932 -203198.7487 2327.7648 0.0000 0.0000 51788.9158 -109888.9989 297.6316 -161677.9147 -109524.3806 298.2786 -298.6605 -263.1642 761196.9078 10.7896 10.8573 PRESSURE: 4819600 46.0099 -185.709 -215.861 -185.711 -252.537 -103.118 -215.862 -103.119 -176.166 GPRESSURE: 4819600 16.3333 -222.253 -230.273 -159.796 -115.867 -89.9396 -198.854 -17.6192 -197.153 PRESSAVG: 4819600 -13.7676 -21.0849 -33.0997 -21.0848 -14.1985 23.0241 -33.0998 23.0241 19.1693 GPRESSAVG: 4819600 -14.0241 -20.1604 -30.8476 -23.1045 -14.1431 22.8816 -31.6398 24.1024 20.0527 TIMING: 4819600 CPU: 15536.4, 0.00309869/step Wall: 15536.4, 0.00309869/step, 0.155279 hours remaining, 235.027344 MB of memory in use. ENERGY: 4819600 4028.0064 20409.6950 14531.5273 244.2045 -203817.4288 2681.9533 0.0000 0.0000 52074.2335 -109847.8088 299.2713 -161922.0423 -109480.3146 298.5908 -127.5644 -98.8958 759814.5893 -2.9323 -2.7048 PRESSURE: 4819800 -73.85 -331.634 162.205 -331.634 41.2482 -44.9355 162.206 -44.9359 -279.789 GPRESSURE: 4819800 -17.6626 -298.266 106.461 -302.99 108.327 -69.8346 152.648 -63.0266 -312.181 PRESSAVG: 4819800 -5.36513 -58.5563 -33.3792 -58.5563 4.18851 -2.86493 -33.3792 -2.86486 18.6738 GPRESSAVG: 4819800 -4.53838 -57.5867 -34.9626 -54.5887 3.83287 -0.618139 -33.2605 -3.53295 18.3019 TIMING: 4819800 CPU: 15537.1, 0.00309851/step Wall: 15537.1, 0.00309851/step, 0.155098 hours remaining, 235.027344 MB of memory in use. ENERGY: 4819800 4071.2552 20533.7826 14493.2050 246.6496 -203853.1142 2575.7708 0.0000 0.0000 52136.3464 -109796.1046 299.6283 -161932.4510 -109427.4756 298.9224 -104.1302 -73.8390 761092.5328 5.8324 5.8655 PRESSURE: 4820000 162.841 210.486 387.805 210.487 456.725 128.629 387.806 128.629 -130.631 GPRESSURE: 4820000 257.137 245.728 375.865 35.6545 377.828 133.862 175.779 175.962 -72.927 PRESSAVG: 4820000 31.4378 2.4861 30.3656 2.4861 -18.2072 25.9155 30.3656 25.9154 15.1575 GPRESSAVG: 4820000 30.7407 2.18614 28.811 -0.564499 -17.7193 25.6371 29.5628 26.0111 15.227 TIMING: 4820000 CPU: 15537.7, 0.00308652/step Wall: 15537.7, 0.00308652/step, 0.154326 hours remaining, 235.027344 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: 4820000 3960.5818 20626.2645 14459.9204 232.3696 -204106.7559 3022.0268 0.0000 0.0000 51943.9342 -109861.6585 298.5225 -161805.5927 -109493.8867 298.3986 162.9782 187.3461 759880.2024 9.4627 9.4161 PRESSURE: 4820200 -118.951 -3.53743 -149.618 -3.53744 -43.7247 103.934 -149.618 103.934 -38.9965 GPRESSURE: 4820200 -60.4003 60.6714 -193.813 -59.1823 -81.6264 51.7764 -104.954 170.292 13.5922 PRESSAVG: 4820200 -0.0102972 -19.6073 -6.21805 -19.6072 46.7067 23.1246 -6.21811 23.1246 -20.3564 GPRESSAVG: 4820200 1.03368 -20.292 -5.15433 -20.0373 44.8186 21.3623 -7.47791 22.8486 -20.1998 TIMING: 4820200 CPU: 15538.3, 0.00309475/step Wall: 15538.3, 0.00309475/step, 0.154566 hours remaining, 235.027344 MB of memory in use. ENERGY: 4820200 3935.9625 20646.8086 14489.7243 241.5832 -203596.4625 2563.8842 0.0000 0.0000 51899.5182 -109818.9814 298.2672 -161718.4996 -109454.0673 298.6900 -67.2242 -42.8115 760528.4402 8.7800 8.5509 LDB: ============= START OF LOAD BALANCING ============== 15550.7 LDB: ============== END OF LOAD BALANCING =============== 15550.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15550.7 LDB: ============= START OF LOAD BALANCING ============== 15551 LDB: Largest compute 7075 load 0.033743 is 17.2% of average load 0.195652 LDB: Average compute 0.004396 is 2.2% of average load 0.195652 LDB: TIME 15551 LOAD: AVG 0.195652 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 15551 LOAD: AVG 0.195652 MAX 0.213433 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 15551 LOAD: AVG 0.195652 MAX 0.213433 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 15551 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15551 PRESSURE: 4820400 -340.419 -408.716 -42.0832 -408.716 -405.521 -33.7089 -42.0837 -33.7101 -138.168 GPRESSURE: 4820400 -272.893 -379.966 -67.7369 -385.773 -283.303 8.46877 32.456 -96.4833 -223.28 PRESSAVG: 4820400 -34.5304 -35.9285 -38.9809 -35.9285 48.2963 -28.2706 -38.9809 -28.2706 -5.03892 GPRESSAVG: 4820400 -34.7054 -34.9789 -39.0571 -35.2431 50.5066 -26.6345 -36.595 -27.2673 -6.51864 TIMING: 4820400 CPU: 15538.9, 0.0031778/step Wall: 15538.9, 0.0031778/step, 0.158537 hours remaining, 235.257812 MB of memory in use. ENERGY: 4820400 4051.2299 20575.5509 14502.1602 265.1534 -203446.1383 2343.2176 0.0000 0.0000 52054.9167 -109653.9096 299.1603 -161708.8263 -109298.7496 298.5975 -294.7028 -259.8254 761476.6776 2.9090 3.0942 PRESSURE: 4820600 -151.744 1.69866 -170.707 1.69875 -64.207 177.889 -170.707 177.89 -24.395 GPRESSURE: 4820600 -112.87 17.2926 -188.606 -74.2811 -24.6828 163.62 -178.765 177.923 -23.6372 PRESSAVG: 4820600 -38.7641 -14.7227 -61.5217 -14.7227 5.78147 -22.7786 -61.5217 -22.7786 0.211633 GPRESSAVG: 4820600 -39.2331 -15.1887 -61.582 -13.9305 4.61309 -23.936 -63.2248 -20.7508 1.42251 TIMING: 4820600 CPU: 15539.6, 0.00311048/step Wall: 15539.6, 0.00311048/step, 0.155006 hours remaining, 235.457031 MB of memory in use. ENERGY: 4820600 4101.4634 20572.3805 14424.8435 266.5513 -203289.4528 2480.6118 0.0000 0.0000 52019.9368 -109423.6656 298.9593 -161443.6024 -109058.7079 298.9321 -80.1153 -53.7301 762040.8436 -10.9237 -11.0658 PRESSURE: 4820800 -376.156 19.9826 -82.6714 19.9825 -106.627 -18.7516 -82.6718 -18.7525 -21.3886 GPRESSURE: 4820800 -339.117 -35.2329 -32.5999 72.7671 -85.8759 -58.7741 -6.83526 7.82171 7.4288 PRESSAVG: 4820800 -12.1499 0.649044 -10.3473 0.649096 -12.2856 25.3252 -10.3473 25.3251 -6.75713 GPRESSAVG: 4820800 -12.2702 0.0545198 -10.2096 1.31766 -12.0429 25.3673 -9.62596 21.7127 -6.52728 TIMING: 4820800 CPU: 15540.2, 0.003102/step Wall: 15540.2, 0.003102/step, 0.154411 hours remaining, 235.714844 MB of memory in use. ENERGY: 4820800 3964.7773 20665.1789 14553.7730 235.2058 -203285.3303 2568.3723 0.0000 0.0000 51943.9081 -109354.1149 298.5224 -161298.0230 -108998.2355 299.0442 -168.0572 -139.1881 762533.0507 -10.3975 -10.2801 PRESSURE: 4821000 5.8373 -46.6462 -87.5693 -46.6464 -47.3346 -105.202 -87.5691 -105.201 52.5071 GPRESSURE: 4821000 89.3417 -12.8314 -157.339 -110.206 2.80699 -86.5555 -64.5065 -98.8217 0.49043 PRESSAVG: 4821000 -51.5589 7.01537 -6.56047 7.01536 10.3877 -0.188332 -6.56047 -0.188392 9.84803 GPRESSAVG: 4821000 -51.5386 8.30195 -8.4886 6.04636 10.5471 -0.770253 -7.01639 2.90424 9.72006 TIMING: 4821000 CPU: 15540.8, 0.00310625/step Wall: 15540.8, 0.00310624/step, 0.154449 hours remaining, 235.714844 MB of memory in use. ENERGY: 4821000 4060.3265 20493.3778 14472.7719 266.1195 -203400.2104 2853.0868 0.0000 0.0000 51996.2290 -109258.2989 298.8230 -161254.5279 -108894.8337 298.8733 3.6699 30.8797 762212.6146 -10.4411 -10.4238 PRESSURE: 4821200 160.381 -61.458 205.026 -61.4585 140.134 -76.7258 205.027 -76.7262 -174.937 GPRESSURE: 4821200 201.234 -27.8915 48.9173 -80.9473 131.048 -131.437 221.818 -111.75 -141.378 PRESSAVG: 4821200 -55.6139 -26.4691 39.3473 -26.4691 56.5225 -4.22175 39.3473 -4.22171 8.31791 GPRESSAVG: 4821200 -55.4298 -28.9317 39.8452 -25.4756 55.4822 -3.20309 40.527 -6.17362 8.36758 TIMING: 4821200 CPU: 15541.4, 0.00311719/step Wall: 15541.4, 0.00311719/step, 0.15482 hours remaining, 235.714844 MB of memory in use. ENERGY: 4821200 4039.4403 20814.4847 14409.9165 236.6520 -203225.0455 2649.4290 0.0000 0.0000 51900.0184 -109175.1045 298.2701 -161075.1229 -108821.5471 299.6914 41.8593 63.6347 761468.6431 3.0755 2.8066 PRESSURE: 4821400 102.24 -148.534 -115.331 -148.534 34.4202 332.893 -115.331 332.893 49.8897 GPRESSURE: 4821400 208.712 -106.73 -139.392 -221.255 69.947 308.012 -152.914 403.062 -13.8197 PRESSAVG: 4821400 -30.8031 -83.491 16.6869 -83.491 2.2295 28.3946 16.6869 28.3944 -29.5565 GPRESSAVG: 4821400 -30.257 -81.2254 17.0269 -84.8748 3.43471 29.4959 15.5628 27.5974 -31.6233 TIMING: 4821400 CPU: 15542, 0.00310671/step Wall: 15542, 0.00310671/step, 0.154127 hours remaining, 235.714844 MB of memory in use. ENERGY: 4821400 3966.0384 20600.2929 14407.3542 235.5038 -203363.6562 2611.2046 0.0000 0.0000 52049.9404 -109493.3219 299.1317 -161543.2623 -109133.6842 299.5002 62.1832 88.2797 760849.5627 -19.3767 -19.4819 PRESSURE: 4821600 -17.1761 -103.833 34.8925 -103.833 -28.5131 -92.6405 34.8924 -92.641 341.195 GPRESSURE: 4821600 12.8549 -79.2186 121.648 -106.851 29.0947 -49.8522 133.683 -255.219 333.187 PRESSAVG: 4821600 10.1656 -8.96147 -58.9201 -8.96145 22.8679 -8.87862 -58.9201 -8.87865 0.954912 GPRESSAVG: 4821600 9.5734 -9.01001 -59.2173 -8.57946 21.6819 -9.30111 -56.7494 -8.47274 2.90974 TIMING: 4821600 CPU: 15542.7, 0.00310632/step Wall: 15542.7, 0.00310632/step, 0.153935 hours remaining, 235.714844 MB of memory in use. ENERGY: 4821600 3934.2642 20488.2630 14542.3601 249.2480 -202824.5170 2159.6880 0.0000 0.0000 51897.7417 -109552.9520 298.2570 -161450.6937 -109195.1035 298.8950 98.5018 125.0455 762990.6785 11.3295 11.3884 PRESSURE: 4821800 179.044 0.0413971 169.406 0.0395224 -107.538 163.495 169.407 163.494 92.954 GPRESSURE: 4821800 248.064 -4.01003 114.702 -51.9258 1.97041 188.007 121.029 168.45 12.2829 PRESSAVG: 4821800 -37.6824 -36.8846 -22.2346 -36.8846 30.1641 -11.9684 -22.2346 -11.9684 22.3585 GPRESSAVG: 4821800 -37.4006 -38.1749 -21.4559 -36.5251 32.4411 -13.603 -24.3899 -12.4783 20.377 TIMING: 4821800 CPU: 15543.3, 0.00309474/step Wall: 15543.3, 0.00309474/step, 0.15319 hours remaining, 235.714844 MB of memory in use. ENERGY: 4821800 3958.7359 20577.0808 14455.7477 245.6031 -203096.2776 2341.1736 0.0000 0.0000 52134.7261 -109383.2103 299.6190 -161517.9364 -109017.2525 298.9725 54.8202 87.4390 760630.4499 4.9467 5.1392 PRESSURE: 4822000 17.3849 -49.4928 40.0978 -49.4929 -422.032 -47.4979 40.0981 -47.4981 -31.024 GPRESSURE: 4822000 -11.6948 -21.7175 -37.4185 -83.5823 -320.995 6.378 112.657 -17.2066 -13.671 PRESSAVG: 4822000 19.2571 -78.0031 -44.5211 -78.0032 -1.1395 18.3106 -44.5211 18.3106 2.0748 GPRESSAVG: 4822000 19.8827 -78.0301 -46.2191 -78.1461 -2.37915 19.9382 -43.1484 20.4276 2.52403 TIMING: 4822000 CPU: 15543.9, 0.00312288/step Wall: 15543.9, 0.00312288/step, 0.154409 hours remaining, 235.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4822000 3967.2125 20526.7568 14368.2216 259.0853 -203256.9718 2398.1790 0.0000 0.0000 52118.7659 -109618.7508 299.5273 -161737.5167 -109255.9850 298.9641 -145.2237 -115.4536 760257.8182 6.7308 6.6759 PRESSURE: 4822200 166.302 -165.16 -120.728 -165.161 -216.294 -57.7512 -120.728 -57.7521 17.4477 GPRESSURE: 4822200 161.706 -191.625 -122.522 -296.24 -56.2159 -74.0236 12.1531 -73.1019 -49.5891 PRESSAVG: 4822200 12.1191 -62.8784 -46.1165 -62.8784 -19.507 23.3403 -46.1165 23.3404 24.764 GPRESSAVG: 4822200 10.0526 -61.6478 -44.644 -62.6873 -18.9726 23.712 -45.2915 22.1509 26.1726 TIMING: 4822200 CPU: 15544.5, 0.00309785/step Wall: 15544.5, 0.00309785/step, 0.152999 hours remaining, 235.714844 MB of memory in use. ENERGY: 4822200 4015.1554 20632.1057 14390.0175 254.1241 -203296.4000 2630.9979 0.0000 0.0000 51985.7135 -109388.2859 298.7626 -161373.9994 -109026.9469 299.1854 -10.8479 18.6335 761751.0387 5.7920 5.7509 PRESSURE: 4822400 -144.57 -137.451 248.649 -137.451 -215.8 -77.9371 248.649 -77.9383 109.49 GPRESSURE: 4822400 -76.8268 -73.3046 158.306 -72.8778 -135.033 -113.066 205.805 34.4155 43.3293 PRESSAVG: 4822400 21.4613 -60.5764 -14.254 -60.5764 -53.8155 1.86021 -14.254 1.86021 -3.88662 GPRESSAVG: 4822400 22.9592 -61.8794 -15.0722 -60.6504 -55.2737 2.09791 -15.2082 2.20978 -4.06285 TIMING: 4822400 CPU: 15545.2, 0.0030958/step Wall: 15545.2, 0.00309579/step, 0.152726 hours remaining, 235.714844 MB of memory in use. ENERGY: 4822400 3977.4156 20702.3180 14454.3037 236.0592 -203027.1446 2408.5754 0.0000 0.0000 51918.3774 -109330.0953 298.3756 -161248.4727 -108971.7206 299.4443 -83.6269 -56.1769 760972.6676 -12.0803 -12.1258 PRESSURE: 4822600 4.96582 -7.09259 247.731 -7.09316 -78.8271 61.642 247.731 61.6419 -236.348 GPRESSURE: 4822600 10.5182 93.6144 263.788 5.53776 -68.9701 73.4051 199.455 21.9534 -180.839 PRESSAVG: 4822600 63.0207 -30.834 -25.3955 -30.8341 -15.9086 -19.8257 -25.3954 -19.8257 -0.540875 GPRESSAVG: 4822600 61.4244 -29.5754 -23.6247 -32.6955 -14.7129 -21.2549 -25.7832 -21.2528 -0.424648 TIMING: 4822600 CPU: 15545.8, 0.00309211/step Wall: 15545.8, 0.00309211/step, 0.152373 hours remaining, 235.714844 MB of memory in use. ENERGY: 4822600 3940.8035 20657.9976 14357.5408 235.2692 -203190.6178 2379.1700 0.0000 0.0000 52286.5636 -109333.2731 300.4916 -161619.8367 -108967.4248 299.7527 -103.4032 -79.7637 761574.6537 15.5237 15.4289 PRESSURE: 4822800 54.3519 -47.2887 -126.19 -47.2887 -16.5274 -66.6366 -126.191 -66.6372 2.31492 GPRESSURE: 4822800 -9.20816 -207.076 -137.662 -41.7079 27.2789 -149.9 -83.6257 11.9955 85.6974 PRESSAVG: 4822800 -6.59814 -17.0434 -35.6416 -17.0434 -29.8329 -36.8867 -35.6415 -36.8867 -0.366462 GPRESSAVG: 4822800 -6.25419 -18.8597 -37.2752 -14.538 -30.3911 -37.0817 -36.2508 -37.1812 -0.450167 TIMING: 4822800 CPU: 15546.4, 0.00310044/step Wall: 15546.4, 0.00310044/step, 0.15261 hours remaining, 235.714844 MB of memory in use. ENERGY: 4822800 4021.1097 20525.8167 14404.0005 248.1411 -203337.2267 2570.6108 0.0000 0.0000 52044.4397 -109523.1083 299.1001 -161567.5480 -109149.6546 299.1224 13.3798 34.5894 760930.1342 -12.2658 -12.3651 PRESSURE: 4823000 230.146 -30.945 -59.3566 -30.945 -411.527 148.262 -59.3562 148.262 -57.822 GPRESSURE: 4823000 190.596 5.18151 -11.5197 -17.6299 -345.981 262.511 45.2767 7.71038 1.74427 PRESSAVG: 4823000 5.29042 -63.2257 -30.961 -63.2258 -39.3639 -22.6061 -30.961 -22.6062 -15.8124 GPRESSAVG: 4823000 6.09653 -64.6839 -29.3483 -62.5255 -38.9345 -22.3515 -31.8594 -21.4609 -16.8649 TIMING: 4823000 CPU: 15547, 0.00309332/step Wall: 15547, 0.00309332/step, 0.152088 hours remaining, 235.714844 MB of memory in use. ENERGY: 4823000 3962.0207 20179.1171 14412.1532 236.9570 -203423.0026 2763.8612 0.0000 0.0000 52244.9369 -109623.9566 300.2524 -161868.8935 -109254.7042 298.5502 -79.7345 -51.2138 761033.1149 -16.6286 -16.5676 PRESSURE: 4823200 -119.71 119.091 87.4463 119.09 89.8165 -6.85614 87.4464 -6.85647 293.948 GPRESSURE: 4823200 12.7558 131.478 155.086 224.074 46.6396 -83.8982 13.1293 49.2695 297.052 PRESSAVG: 4823200 8.51925 -83.8063 3.12064 -83.8063 25.2739 19.4188 3.12061 19.4188 12.8965 GPRESSAVG: 4823200 9.33201 -81.9938 1.57524 -85.0867 24.5913 19.6579 5.45508 19.9815 12.7591 TIMING: 4823200 CPU: 15547.6, 0.00310468/step Wall: 15547.6, 0.00310469/step, 0.152475 hours remaining, 235.714844 MB of memory in use. ENERGY: 4823200 3902.4238 20274.1314 14338.8839 222.3145 -203340.5968 2567.0438 0.0000 0.0000 52103.1841 -109932.6152 299.4377 -162035.7994 -109570.4785 298.1570 88.0181 118.8159 758392.0158 15.5632 15.5608 PRESSURE: 4823400 -146.797 170.43 -5.07892 170.429 -115.316 146.414 -5.07875 146.413 -39.2205 GPRESSURE: 4823400 -96.9108 117.468 56.016 134.351 -114.043 141.628 26.6363 -7.60249 -8.07506 PRESSAVG: 4823400 44.0115 8.86969 -6.52185 8.86964 -26.3518 22.5654 -6.52179 22.5654 -1.5235 GPRESSAVG: 4823400 42.9293 10.0912 -5.08654 9.82532 -26.1123 22.0684 -8.23555 23.2176 -0.633759 TIMING: 4823400 CPU: 15548.3, 0.00310454/step Wall: 15548.3, 0.00310454/step, 0.152295 hours remaining, 235.714844 MB of memory in use. ENERGY: 4823400 3919.4895 20587.4642 14384.2674 252.8316 -202958.3685 2162.7127 0.0000 0.0000 51732.9500 -109918.6532 297.3100 -161651.6032 -109575.2706 298.1528 -100.4444 -73.0098 760648.0528 5.3788 5.3944 PRESSURE: 4823600 213.479 40.3611 35.8449 40.361 258.879 84.7034 35.8455 84.7038 -223.003 GPRESSURE: 4823600 244.214 77.6433 76.5719 77.1806 210.889 65.7054 -49.8461 133.278 -118.546 PRESSAVG: 4823600 28.1963 -20.5678 -27.742 -20.5677 -29.6675 83.5207 -27.742 83.5207 -6.86437 GPRESSAVG: 4823600 29.4245 -20.4951 -28.6985 -21.9232 -30.6886 84.3722 -26.6672 81.07 -7.39755 TIMING: 4823600 CPU: 15548.9, 0.00310036/step Wall: 15548.9, 0.00310036/step, 0.151918 hours remaining, 235.714844 MB of memory in use. ENERGY: 4823600 4036.6815 20496.3894 14368.9834 249.3226 -203647.8411 2775.5720 0.0000 0.0000 51979.0927 -109741.7995 298.7246 -161720.8922 -109385.8974 297.9991 83.1184 112.1859 759569.1150 -2.7785 -2.8872 PRESSURE: 4823800 -198.973 -107.022 -166.595 -107.022 -122.239 -65.0626 -166.594 -65.0632 105.86 GPRESSURE: 4823800 -65.2768 -61.3799 -140.252 -61.4928 -113.035 -77.1203 -180.355 127.367 60.9777 PRESSAVG: 4823800 7.28548 -25.7779 -13.8358 -25.778 29.2587 -5.41576 -13.8358 -5.41575 -5.25711 GPRESSAVG: 4823800 7.13783 -26.4246 -13.0015 -25.9015 28.8817 -7.13347 -14.0768 -3.18326 -4.3985 TIMING: 4823800 CPU: 15549.5, 0.00310236/step Wall: 15549.5, 0.00310236/step, 0.151843 hours remaining, 235.714844 MB of memory in use. ENERGY: 4823800 3953.1560 20481.2781 14402.6188 231.4874 -203350.3830 2668.4427 0.0000 0.0000 51918.1251 -109695.2748 298.3742 -161613.3999 -109336.1325 298.5386 -71.7842 -39.1114 760213.7344 10.4290 10.5403 PRESSURE: 4824000 -222.109 -70.8647 104.961 -70.865 190.757 -50.1209 104.962 -50.1213 -395.126 GPRESSURE: 4824000 -166.88 -147.513 151.395 -34.0342 155.25 -76.1777 211.943 -98.8027 -333.644 PRESSAVG: 4824000 50.9194 -16.8734 -37.3801 -16.8735 -20.6584 38.3514 -37.3801 38.3514 39.0726 GPRESSAVG: 4824000 51.3235 -16.5143 -37.0199 -18.6104 -20.9502 39.3416 -37.3541 37.2672 38.9361 TIMING: 4824000 CPU: 15550.1, 0.00310592/step Wall: 15550.1, 0.00310592/step, 0.151845 hours remaining, 235.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4824000 3981.3777 20641.3555 14439.9680 266.1106 -203549.9262 2573.1791 0.0000 0.0000 51959.3371 -109688.5982 298.6110 -161647.9353 -109335.0701 298.7773 -142.1592 -115.0915 761206.8509 23.1112 23.1031 PRESSURE: 4824200 300.892 -155.15 -103.697 -155.151 -161.81 74.0044 -103.698 74.0047 -79.9685 GPRESSURE: 4824200 291.752 -93.1865 -94.7935 -64.5091 -68.0661 8.5701 -199.32 123.914 -85.5878 PRESSAVG: 4824200 38.595 21.6673 0.505315 21.6673 -45.7323 48.3601 0.505309 48.3601 -3.83173 GPRESSAVG: 4824200 38.0941 21.5377 1.08997 23.9351 -45.3029 50.0249 0.0778849 46.9463 -4.18285 TIMING: 4824200 CPU: 15550.7, 0.00310953/step Wall: 15550.7, 0.00310953/step, 0.151849 hours remaining, 235.714844 MB of memory in use. ENERGY: 4824200 4046.5024 20515.7857 14414.8743 227.5801 -203799.2514 3019.8617 0.0000 0.0000 51964.2497 -109610.3974 298.6393 -161574.6472 -109258.5966 298.7004 19.7045 46.0326 762162.2968 -3.6564 -3.7972 LDB: ============= START OF LOAD BALANCING ============== 15563.2 LDB: ============== END OF LOAD BALANCING =============== 15563.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15563.2 LDB: ============= START OF LOAD BALANCING ============== 15563.5 LDB: Largest compute 7075 load 0.032307 is 16.5% of average load 0.195543 LDB: Average compute 0.004393 is 2.2% of average load 0.195543 LDB: TIME 15563.5 LOAD: AVG 0.195543 MAX 0.21333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.359 MB LDB: TIME 15563.5 LOAD: AVG 0.195543 MAX 0.21333 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: TIME 15563.5 LOAD: AVG 0.195543 MAX 0.21333 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: ============== END OF LOAD BALANCING =============== 15563.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15563.5 PRESSURE: 4824400 -120.406 -11.2477 180.026 -11.2475 100.622 -39.5674 180.026 -39.5662 62.0231 GPRESSURE: 4824400 -92.0746 -8.02532 183.807 -98.134 166.169 68.0617 183.321 -0.0511195 83.2084 PRESSAVG: 4824400 70.3987 -46.8557 -22.2517 -46.8557 -44.9854 33.1576 -22.2517 33.1576 8.7789 GPRESSAVG: 4824400 70.2714 -46.9659 -22.7241 -47.113 -43.4967 30.8814 -22.6989 36.4437 8.17486 TIMING: 4824400 CPU: 15551.4, 0.00318091/step Wall: 15551.4, 0.00318091/step, 0.155158 hours remaining, 235.511719 MB of memory in use. ENERGY: 4824400 4052.2099 20413.4045 14448.7611 227.1614 -203522.0192 2682.2136 0.0000 0.0000 51886.0571 -109812.2115 298.1899 -161698.2686 -109441.7000 298.1625 14.0796 52.4342 760131.6185 11.3974 11.6498 PRESSURE: 4824600 -148.732 41.5982 50.2952 41.5987 186.925 72.9512 50.2946 72.9514 71.1814 GPRESSURE: 4824600 -63.9767 104.504 24.2619 60.45 206.492 148.992 60.9795 75.8101 76.0322 PRESSAVG: 4824600 -27.5357 -73.9219 -25.4523 -73.9219 9.4463 28.3685 -25.4525 28.3685 4.61603 GPRESSAVG: 4824600 -27.2698 -72.4079 -26.4614 -73.584 8.85737 29.658 -23.9886 27.6493 5.06845 TIMING: 4824600 CPU: 15552, 0.00311661/step Wall: 15552, 0.00311661/step, 0.151848 hours remaining, 235.714844 MB of memory in use. ENERGY: 4824600 3988.8813 20495.8670 14446.1086 256.6122 -203420.0843 2557.9473 0.0000 0.0000 51912.6241 -109762.0437 298.3426 -161674.6678 -109393.6897 298.5498 36.4582 72.8492 759458.2212 -4.4911 -4.4480 PRESSURE: 4824800 198.122 223.762 48.1412 223.762 16.2669 80.752 48.1412 80.752 -68.8152 GPRESSURE: 4824800 172.327 177.441 36.3397 226.486 89.6825 97.6641 -12.8131 84.3686 -72.026 PRESSAVG: 4824800 -68.4643 -28.5101 -37.4851 -28.5102 31.8655 48.1024 -37.4852 48.1024 1.38229 GPRESSAVG: 4824800 -68.4506 -31.8836 -35.4774 -29.223 30.0495 46.8692 -40.4864 47.1646 2.32429 TIMING: 4824800 CPU: 15552.6, 0.00312659/step Wall: 15552.6, 0.00312659/step, 0.152161 hours remaining, 235.972656 MB of memory in use. ENERGY: 4824800 3985.0013 20446.1356 14402.2476 244.1037 -203594.1771 2609.5234 0.0000 0.0000 51924.3933 -109982.7722 298.4102 -161907.1655 -109613.0876 298.5740 48.5246 63.3277 761277.6828 -11.7389 -12.0256 PRESSURE: 4825000 -150.032 160.557 -151.783 160.557 -179.601 69.8942 -151.783 69.8941 -102.931 GPRESSURE: 4825000 -93.3239 93.6555 -96.9212 -20.9614 -182.461 2.71483 -42.6962 107.477 -60.7154 PRESSAVG: 4825000 11.3945 -6.62597 -37.313 -6.62596 -22.1018 22.7373 -37.3129 22.7373 -2.80088 GPRESSAVG: 4825000 10.9151 -5.06255 -38.8041 -5.82606 -19.5584 23.9649 -34.2008 22.1224 -4.56939 TIMING: 4825000 CPU: 15553.2, 0.00312127/step Wall: 15553.2, 0.00312127/step, 0.151728 hours remaining, 235.972656 MB of memory in use. ENERGY: 4825000 3992.9081 20469.8949 14356.6508 278.9492 -203560.4692 2560.9138 0.0000 0.0000 51959.5825 -109941.5699 298.6124 -161901.1524 -109587.7638 297.8922 -144.1882 -112.1667 760041.7489 -4.5027 -4.4042 PRESSURE: 4825200 -76.0025 84.4683 20.4526 84.4677 340.098 -78.3018 20.4536 -78.3021 547.338 GPRESSURE: 4825200 5.28171 42.7167 -26.6663 39.5084 358.776 -75.2336 37.4306 -54.1631 544.41 PRESSAVG: 4825200 14.2572 -55.5675 -10.8856 -55.5675 -0.918648 -26.1276 -10.8856 -26.1277 8.1402 GPRESSAVG: 4825200 14.654 -53.4515 -11.2646 -58.1883 -1.93158 -27.296 -13.0659 -25.0402 9.1501 TIMING: 4825200 CPU: 15553.9, 0.00311803/step Wall: 15553.9, 0.00311803/step, 0.151398 hours remaining, 235.972656 MB of memory in use. ENERGY: 4825200 3893.9132 20463.8417 14364.9416 250.9174 -203481.1789 2629.5516 0.0000 0.0000 52146.1950 -109731.8183 299.6849 -161878.0134 -109364.0438 298.3692 270.4778 302.8227 760071.0152 7.1596 7.2909 PRESSURE: 4825400 -429.035 -402.113 53.0084 -402.114 -465.363 -47.0063 53.0087 -47.0073 -73.6281 GPRESSURE: 4825400 -381.125 -367.533 81.2483 -336.875 -476.819 18.1327 66.1448 7.95421 -4.55231 PRESSAVG: 4825400 71.3696 -74.4611 -18.8105 -74.4611 -32.3507 -28.9298 -18.8105 -28.9299 2.35769 GPRESSAVG: 4825400 71.4602 -75.8336 -17.7558 -74.0839 -32.7411 -28.4239 -16.498 -27.8854 2.13492 TIMING: 4825400 CPU: 15554.5, 0.00310939/step Wall: 15554.5, 0.00310939/step, 0.150805 hours remaining, 235.972656 MB of memory in use. ENERGY: 4825400 3973.4050 20434.7239 14475.0817 251.6386 -203496.3701 2468.9992 0.0000 0.0000 52019.5520 -109872.9697 298.9571 -161892.5217 -109504.6394 298.5766 -322.6756 -287.4990 760209.4392 13.7922 13.6180 PRESSURE: 4825600 -57.0973 -201.658 34.0891 -201.659 -192.258 104.707 34.0892 104.707 -339.112 GPRESSURE: 4825600 29.1323 -202.626 -17.0098 -73.9365 -237.612 174.478 189.989 22.4427 -285.844 PRESSAVG: 4825600 18.2674 -54.8639 -36.6436 -54.8639 -18.5888 -21.2871 -36.6436 -21.2871 9.65809 GPRESSAVG: 4825600 19.0242 -56.023 -37.7165 -54.0156 -18.7805 -21.2668 -39.1247 -22.3782 9.38078 TIMING: 4825600 CPU: 15555.1, 0.00312879/step Wall: 15555.1, 0.00312879/step, 0.151572 hours remaining, 235.972656 MB of memory in use. ENERGY: 4825600 4074.6953 20361.4659 14487.7538 252.8108 -203132.2962 2275.0569 0.0000 0.0000 51886.1297 -109794.3838 298.1903 -161680.5134 -109435.6436 298.4173 -196.1556 -164.7747 760868.9564 3.1122 3.2082 PRESSURE: 4825800 245.27 237.616 -190.932 237.615 325.721 -150.839 -190.932 -150.839 -275.002 GPRESSURE: 4825800 357.75 254.199 -262.278 252.81 269.627 -145.828 -146.472 -66.5625 -236.953 PRESSAVG: 4825800 21.9237 -32.3103 -34.7527 -32.3103 -40.3224 -25.7546 -34.7528 -25.7545 2.09423 GPRESSAVG: 4825800 20.5311 -31.7205 -36.3247 -32.6614 -39.4535 -24.4674 -31.375 -27.3402 2.43798 TIMING: 4825800 CPU: 15555.7, 0.00311381/step Wall: 15555.7, 0.00311381/step, 0.150674 hours remaining, 236.109375 MB of memory in use. ENERGY: 4825800 3909.2755 20476.1806 14459.5077 263.7136 -203492.8148 2603.9672 0.0000 0.0000 51995.1708 -109784.9996 298.8170 -161780.1703 -109415.3625 298.3155 98.6630 130.1415 759877.1483 -5.4348 -5.4948 PRESSURE: 4826000 156.612 -26.7192 11.383 -26.7196 -281.219 57.3319 11.3838 57.332 -70.2651 GPRESSURE: 4826000 102.595 -15.754 47.4312 -10.0798 -270.428 98.4474 45.791 -17.3342 51.9259 PRESSAVG: 4826000 -12.6868 -5.68648 -3.20045 -5.68644 28.3748 48.9202 -3.20036 48.9203 7.01641 GPRESSAVG: 4826000 -12.3548 -7.40394 -1.99487 -3.7532 27.4366 49.1522 -4.99963 50.778 7.1856 TIMING: 4826000 CPU: 15556.4, 0.00311888/step Wall: 15556.4, 0.00311888/step, 0.150746 hours remaining, 236.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4826000 3949.9343 20520.9831 14428.8381 253.1913 -203321.0525 2346.7355 0.0000 0.0000 52274.8480 -109546.5223 300.4243 -161821.3703 -109187.0255 299.0926 -64.9575 -38.6357 761841.4890 7.5681 7.4225 PRESSURE: 4826200 -340.434 193.75 124.799 193.75 -58.9595 -47.9778 124.8 -47.9778 395.945 GPRESSURE: 4826200 -195.848 82.4955 108.109 185.011 -38.3379 -72.1482 117.508 -55.8294 316.248 PRESSAVG: 4826200 -19.7287 -52.3628 -10.8573 -52.3629 -14.1181 21.2432 -10.8573 21.2432 5.26636 GPRESSAVG: 4826200 -19.4566 -50.9485 -9.83085 -55.0767 -13.706 21.1909 -9.90344 19.8645 4.29053 TIMING: 4826200 CPU: 15557, 0.00311216/step Wall: 15557, 0.00311216/step, 0.150248 hours remaining, 236.109375 MB of memory in use. ENERGY: 4826200 4040.3714 20375.9676 14472.2760 235.1846 -203275.7353 2569.2801 0.0000 0.0000 52064.2451 -109518.4105 299.2139 -161582.6556 -109163.3923 299.2063 -1.1493 27.3539 760210.7583 -9.5268 -9.6240 PRESSURE: 4826400 -83.558 22.8827 204.63 22.8831 -59.0403 -158.316 204.631 -158.317 -269.313 GPRESSURE: 4826400 -71.2674 48.7113 140.271 118.749 44.7955 -170.032 38.4822 -86.8502 -318.714 PRESSAVG: 4826400 -49.64 -54.6902 -1.60127 -54.6901 11.6377 30.6528 -1.60118 30.6528 -5.96467 GPRESSAVG: 4826400 -49.1025 -56.1551 -1.73494 -52.6101 11.7268 31.7009 -2.97785 31.1315 -6.62692 TIMING: 4826400 CPU: 15557.6, 0.00310794/step Wall: 15557.6, 0.00310794/step, 0.149872 hours remaining, 236.109375 MB of memory in use. ENERGY: 4826400 3990.5671 20694.4969 14401.2947 228.0260 -203469.3194 2634.2640 0.0000 0.0000 51856.8754 -109663.7952 298.0222 -161520.6706 -109313.7775 299.2108 -137.3037 -115.0618 760575.0074 -14.6557 -14.6675 PRESSURE: 4826600 2.68498 -90.1325 -133.585 -90.1318 -131.803 207.704 -133.585 207.705 -150.721 GPRESSURE: 4826600 54.6345 -157.482 -155.044 -86.4696 -123.101 224.773 1.07337 169.05 -135.749 PRESSAVG: 4826600 29.5685 -36.9847 -13.8926 -36.9847 -45.8671 18.7808 -13.8926 18.7809 -19.2691 GPRESSAVG: 4826600 28.3692 -35.009 -13.1934 -37.0458 -46.1957 18.033 -14.7155 17.1494 -17.873 TIMING: 4826600 CPU: 15558.2, 0.003122/step Wall: 15558.2, 0.003122/step, 0.150376 hours remaining, 236.109375 MB of memory in use. ENERGY: 4826600 4011.2649 20505.9295 14386.8887 247.0239 -203283.1793 2345.8248 0.0000 0.0000 52054.8519 -109731.3955 299.1599 -161786.2474 -109363.2850 298.7802 -93.2796 -68.0717 761323.0003 -11.8559 -11.8999 PRESSURE: 4826800 -164.743 159.058 -49.0073 159.058 -111.977 49.5613 -49.007 49.5619 -127.209 GPRESSURE: 4826800 -103.682 7.77512 14.4643 17.0183 -55.2839 -40.7202 -27.7649 37.0148 -144.911 PRESSAVG: 4826800 65.0281 -37.4794 -21.1042 -37.4794 -35.6143 17.2519 -21.1042 17.2519 11.1465 GPRESSAVG: 4826800 65.3445 -38.4383 -22.8295 -38.4387 -35.7731 17.514 -18.3291 17.3812 10.4627 TIMING: 4826800 CPU: 15558.9, 0.0031301/step Wall: 15558.9, 0.0031301/step, 0.150593 hours remaining, 236.109375 MB of memory in use. ENERGY: 4826800 4045.2352 20575.8816 14376.8353 244.5488 -203435.2251 2435.1083 0.0000 0.0000 51873.5796 -109884.0362 298.1182 -161757.6158 -109534.0563 298.2443 -134.6431 -101.2923 759166.5050 13.5201 13.3447 PRESSURE: 4827000 -44.0522 76.733 -97.9929 76.7326 -259.363 142.67 -97.9925 142.67 -294.122 GPRESSURE: 4827000 49.701 122.996 -84.2749 -2.49111 -257.852 84.224 -207.073 216.083 -298.756 PRESSAVG: 4827000 0.832749 -63.2313 9.10301 -63.2314 9.07568 36.1073 9.10299 36.1073 1.44111 GPRESSAVG: 4827000 1.94454 -62.6721 8.57518 -63.9636 8.65927 34.2992 7.33814 37.2693 0.890838 TIMING: 4827000 CPU: 15559.5, 0.00311055/step Wall: 15559.5, 0.00311055/step, 0.149479 hours remaining, 236.109375 MB of memory in use. ENERGY: 4827000 3998.1330 20448.6314 14453.4301 252.8550 -203485.2544 2676.5419 0.0000 0.0000 51722.8457 -109932.8171 297.2519 -161655.6628 -109574.3126 298.2110 -199.1788 -168.9690 759736.0594 3.7832 3.8316 PRESSURE: 4827200 -56.3382 39.1682 102.575 39.1676 175.639 27.4985 102.575 27.4993 -244.995 GPRESSURE: 4827200 -18.6055 31.3725 199.929 117.498 165.808 11.8971 34.9121 24.9253 -208.217 PRESSAVG: 4827200 -4.40093 -61.9299 -29.8454 -61.9299 -7.79699 21.8387 -29.8454 21.8387 8.36302 GPRESSAVG: 4827200 -4.61602 -63.3563 -29.224 -61.3584 -7.43869 23.8241 -30.9266 21.1619 8.48855 TIMING: 4827200 CPU: 15560.1, 0.00311404/step Wall: 15560.1, 0.00311404/step, 0.149474 hours remaining, 236.109375 MB of memory in use. ENERGY: 4827200 3986.4156 20541.5285 14408.9567 253.4125 -203545.0610 2561.5276 0.0000 0.0000 51893.7443 -109899.4759 298.2341 -161793.2202 -109537.1473 298.6444 -41.8981 -20.3381 760602.3241 -1.2783 -1.1887 PRESSURE: 4827400 132.637 126.365 -79.0022 126.366 -82.0314 165.857 -79.0019 165.858 113.155 GPRESSURE: 4827400 186.303 99.7005 -49.0946 106.021 -94.6695 132.555 -43.6394 38.9566 158.841 PRESSAVG: 4827400 -30.0804 -62.0037 -9.85114 -62.0037 51.3453 -17.8797 -9.85121 -17.8797 -17.3105 GPRESSAVG: 4827400 -30.6478 -60.9754 -9.56062 -61.1656 51.4527 -18.899 -9.0784 -17.7106 -17.2945 TIMING: 4827400 CPU: 15560.7, 0.00310992/step Wall: 15560.7, 0.00310992/step, 0.149103 hours remaining, 236.109375 MB of memory in use. ENERGY: 4827400 3981.7372 20518.4222 14387.4000 241.8204 -203649.5418 2663.5923 0.0000 0.0000 52049.4384 -109807.1313 299.1288 -161856.5697 -109442.9432 298.7848 54.5869 83.4915 761042.6000 1.3181 1.1702 PRESSURE: 4827600 -174.129 153.238 -89.457 153.237 -184.55 -77.532 -89.4568 -77.5325 -392.176 GPRESSURE: 4827600 -133.394 143.732 -69.9218 46.8961 -238.147 -116.651 -92.0725 -140.307 -315.573 PRESSAVG: 4827600 3.68597 -63.8912 7.22239 -63.8912 21.8714 3.13541 7.22245 3.13538 -5.16186 GPRESSAVG: 4827600 3.6363 -63.3233 7.98912 -64.7628 22.1322 4.44115 7.02169 3.10379 -5.27037 TIMING: 4827600 CPU: 15561.3, 0.00311923/step Wall: 15561.3, 0.00311923/step, 0.149376 hours remaining, 236.109375 MB of memory in use. ENERGY: 4827600 4029.2343 20651.9614 14387.7776 231.9924 -203222.9277 2488.8502 0.0000 0.0000 51717.2620 -109715.8498 297.2198 -161433.1118 -109367.2101 298.6139 -250.2849 -229.0378 760820.8320 6.7985 6.8327 PRESSURE: 4827800 -146.343 55.6861 -32.2816 55.6868 140.197 47.6759 -32.2812 47.6755 -46.384 GPRESSURE: 4827800 -107.824 32.3505 -69.2841 -19.8228 182.27 33.9181 -74.8947 -36.2764 -46.2333 PRESSAVG: 4827800 36.0068 -37.7694 15.5801 -37.7694 -5.40713 18.159 15.5801 18.159 -8.79203 GPRESSAVG: 4827800 35.9196 -38.0213 14.9275 -39.0143 -5.07595 15.5335 14.6637 21.5148 -9.23595 TIMING: 4827800 CPU: 15562, 0.0031187/step Wall: 15562, 0.0031187/step, 0.149178 hours remaining, 236.109375 MB of memory in use. ENERGY: 4827800 3961.2361 20754.7759 14453.1208 242.1797 -203321.5418 2226.4976 0.0000 0.0000 51991.7107 -109692.0211 298.7971 -161683.7318 -109333.7236 298.3875 -17.5101 9.4044 759505.2123 7.2692 7.2026 PRESSURE: 4828000 175.64 -111.03 -152.587 -111.03 79.0845 -157.736 -152.586 -157.737 171.033 GPRESSURE: 4828000 185.614 -149.845 -109.046 -91.401 164.444 -145.999 1.91266 -134.281 169.458 PRESSAVG: 4828000 -18.2536 -32.5101 31.8032 -32.5101 45.0609 -15.1189 31.8032 -15.1189 15.2324 GPRESSAVG: 4828000 -18.6245 -32.991 31.7767 -31.7597 44.5932 -14.105 32.6626 -17.5163 15.1964 TIMING: 4828000 CPU: 15562.6, 0.00311326/step Wall: 15562.6, 0.00311326/step, 0.148745 hours remaining, 236.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4828000 3996.4880 20613.1263 14411.0215 231.7742 -203811.6574 2718.8306 0.0000 0.0000 52092.2408 -109748.1760 299.3748 -161840.4168 -109378.8154 299.2593 141.9194 173.1722 758566.9472 14.0132 13.7217 PRESSURE: 4828200 -39.2793 47.6003 -91.1376 47.6003 256.533 -3.95426 -91.1375 -3.95332 63.1621 GPRESSURE: 4828200 17.4352 194.995 -45.328 132.584 261.31 -63.8703 -120.803 65.1292 85.57 PRESSAVG: 4828200 -103.63 -17.2241 52.8435 -17.224 26.9007 -55.1994 52.8435 -55.1994 -28.6888 GPRESSAVG: 4828200 -103.531 -16.211 53.1225 -16.9896 26.9981 -53.5872 50.6546 -55.0305 -28.4061 TIMING: 4828200 CPU: 15563.2, 0.00310432/step Wall: 15563.2, 0.00310432/step, 0.148145 hours remaining, 236.109375 MB of memory in use. ENERGY: 4828200 3898.0871 20624.1129 14412.8817 251.2873 -203191.4814 2447.1825 0.0000 0.0000 51676.0793 -109881.8505 296.9831 -161557.9299 -109524.3324 298.6574 93.4719 121.4386 761364.9802 -35.1395 -34.9797 LDB: ============= START OF LOAD BALANCING ============== 15575.6 LDB: ============== END OF LOAD BALANCING =============== 15575.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15575.6 LDB: ============= START OF LOAD BALANCING ============== 15575.9 LDB: Largest compute 7075 load 0.033608 is 17.2% of average load 0.195650 LDB: Average compute 0.004376 is 2.2% of average load 0.195650 LDB: TIME 15575.9 LOAD: AVG 0.19565 MAX 0.213008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.188 MB LDB: TIME 15575.9 LOAD: AVG 0.19565 MAX 0.213008 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 15575.9 LOAD: AVG 0.19565 MAX 0.213008 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 15575.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15576 PRESSURE: 4828400 269.387 158.5 -68.097 158.501 -95.1187 48.9509 -68.0971 48.9512 382.416 GPRESSURE: 4828400 316.626 93.2393 -62.6897 139.745 -48.75 40.2662 -73.8285 90.647 379.359 PRESSAVG: 4828400 15.2756 -2.47312 39.4339 -2.47316 -2.95164 -11.1253 39.4339 -11.1252 12.2015 GPRESSAVG: 4828400 15.028 -2.42714 39.5956 -2.97801 -3.31047 -11.7914 41.6661 -12.53 12.9697 TIMING: 4828400 CPU: 15563.8, 0.00317807/step Wall: 15563.8, 0.00317807/step, 0.151488 hours remaining, 235.914062 MB of memory in use. ENERGY: 4828400 3980.7668 20412.8260 14394.1312 231.8943 -203454.5168 2594.3758 0.0000 0.0000 52103.0683 -109737.4544 299.4370 -161840.5227 -109372.8953 298.6041 185.5615 215.7449 759386.3886 8.1752 8.2291 PRESSURE: 4828600 -2.60518 -143.259 -118.495 -143.259 -105.063 83.8972 -118.495 83.8975 -317.495 GPRESSURE: 4828600 -81.7241 -133.168 -84.2849 -151.076 -22.8765 8.73345 -41.3694 54.3347 -237.99 PRESSAVG: 4828600 -4.69451 -60.0829 51.191 -60.0829 44.4027 -2.51735 51.191 -2.51739 -14.5934 GPRESSAVG: 4828600 -4.4727 -58.709 51.3534 -61.3252 45.8142 -3.32261 50.9876 -1.16067 -15.5625 TIMING: 4828600 CPU: 15564.5, 0.00312043/step Wall: 15564.5, 0.00312043/step, 0.148567 hours remaining, 235.984375 MB of memory in use. ENERGY: 4828600 3934.9468 20480.4091 14463.5112 257.3699 -203391.5572 2659.2673 0.0000 0.0000 51636.9143 -109959.1385 296.7581 -161596.0528 -109605.1349 298.7409 -141.7210 -114.1967 761103.3763 8.3716 8.5930 PRESSURE: 4828800 -89.0299 -170.473 271.918 -170.473 -175.169 -371.764 271.919 -371.763 93.2376 GPRESSURE: 4828800 -34.7121 -28.9757 306.683 -65.0315 -212.177 -410.074 335.817 -318.11 165.305 PRESSAVG: 4828800 12.9188 -26.0796 76.7034 -26.0796 -1.60328 -26.3124 76.7034 -26.3123 1.67832 GPRESSAVG: 4828800 12.5899 -28.9048 75.6856 -22.7782 -1.8425 -27.009 76.2256 -26.82 1.93832 TIMING: 4828800 CPU: 15565.1, 0.00310469/step Wall: 15565.1, 0.00310469/step, 0.147645 hours remaining, 235.984375 MB of memory in use. ENERGY: 4828800 4103.8363 20580.7818 14361.2119 242.2712 -203529.4917 2448.1037 0.0000 0.0000 51976.8840 -109816.4028 298.7119 -161793.2868 -109465.1750 298.5796 -56.9870 -27.1948 759801.6943 4.3313 4.2286 PRESSURE: 4829000 65.4924 -78.9604 -36.3013 -78.96 74.2936 74.115 -36.3008 74.1141 -149.966 GPRESSURE: 4829000 164.717 -145.2 -85.6827 -79.0033 89.9524 142.674 21.1013 49.0924 -156.879 PRESSAVG: 4829000 -45.2766 -14.961 42.1873 -14.9611 37.6791 34.2451 42.1873 34.2452 7.05574 GPRESSAVG: 4829000 -43.3607 -15.991 42.8296 -15.9769 36.0999 33.6157 44.153 34.3805 6.16351 TIMING: 4829000 CPU: 15565.7, 0.00311301/step Wall: 15565.7, 0.00311301/step, 0.147868 hours remaining, 235.984375 MB of memory in use. ENERGY: 4829000 4017.7068 20476.6606 14418.2254 248.0039 -203935.2310 2994.2536 0.0000 0.0000 51997.2139 -109783.1668 298.8287 -161780.3807 -109427.5473 299.0362 -3.3935 32.5967 761265.6850 -0.1806 -0.3658 PRESSURE: 4829200 -219.355 -146.059 -173.803 -146.06 -139.782 -58.1808 -173.802 -58.1805 22.4152 GPRESSURE: 4829200 -220.867 66.0024 -204.119 -188.316 -79.4585 -29.8259 -139.322 -79.8866 62.0499 PRESSAVG: 4829200 -12.674 -49.4846 20.1288 -49.4846 48.8201 -4.88059 20.1288 -4.8807 -15.6278 GPRESSAVG: 4829200 -13.5786 -47.9629 20.6721 -49.5664 49.6991 -6.26758 17.6191 -3.58262 -15.4295 TIMING: 4829200 CPU: 15566.3, 0.00313134/step Wall: 15566.3, 0.00313134/step, 0.148565 hours remaining, 235.984375 MB of memory in use. ENERGY: 4829200 3939.5032 20588.6702 14420.3958 229.1781 -203374.8782 2670.6539 0.0000 0.0000 51816.5092 -109709.9677 297.7902 -161526.4770 -109356.9891 298.3600 -112.2406 -79.4251 762197.0214 6.8394 6.8970 PRESSURE: 4829400 -37.41 17.1634 272.192 17.1633 -257.396 -216.648 272.192 -216.648 198.197 GPRESSURE: 4829400 -55.0102 63.5308 172.862 82.5596 -170.541 -195.54 236.621 -218.04 222.299 PRESSAVG: 4829400 -6.38693 -47.3354 7.0551 -47.3354 -1.70036 19.2778 7.05509 19.2778 6.65609 GPRESSAVG: 4829400 -6.70761 -48.5771 6.74878 -48.1628 -0.869752 21.3943 6.96273 18.2771 6.62618 TIMING: 4829400 CPU: 15567, 0.00312943/step Wall: 15567, 0.00312943/step, 0.1483 hours remaining, 235.984375 MB of memory in use. ENERGY: 4829400 4019.0879 20385.4728 14407.6603 247.3740 -203456.9507 2725.6198 0.0000 0.0000 51978.4055 -109693.3304 298.7206 -161671.7359 -109331.5514 298.7329 -32.2032 -1.0840 761655.1816 -0.4771 -0.3171 PRESSURE: 4829600 359.971 -27.0171 -187.149 -27.0173 -58.1374 -136.334 -187.149 -136.333 -183.536 GPRESSURE: 4829600 265.762 18.7876 -212.708 -42.4462 63.918 -135.247 -118.127 -157.867 -122.81 PRESSAVG: 4829600 -9.22609 -18.4335 1.94616 -18.4336 -35.7079 18.0438 1.94615 18.0438 14.3927 GPRESSAVG: 4829600 -8.40133 -17.5124 1.06139 -18.5667 -35.8747 17.1856 4.46526 16.2238 13.8521 TIMING: 4829600 CPU: 15567.6, 0.00312835/step Wall: 15567.6, 0.00312835/step, 0.148075 hours remaining, 235.984375 MB of memory in use. ENERGY: 4829600 3981.9327 20322.2450 14465.7825 257.6320 -203420.2688 2691.3316 0.0000 0.0000 51887.5238 -109813.8213 298.1983 -161701.3450 -109449.7478 298.8247 39.4326 68.9567 760549.0621 -10.1805 -10.1413 PRESSURE: 4829800 -280.177 23.4585 -27.2898 23.4585 182.349 8.33126 -27.2907 8.33237 -89.689 GPRESSURE: 4829800 -234.482 55.6171 -6.47681 74.7802 215.363 -81.431 137.701 -29.1287 -72.6985 PRESSAVG: 4829800 -6.20544 -33.3486 14.5745 -33.3486 14.8591 2.29585 14.5744 2.29579 5.89564 GPRESSAVG: 4829800 -5.63821 -33.8798 16.3476 -31.0395 13.6315 3.13966 14.9906 5.11855 6.10891 TIMING: 4829800 CPU: 15568.2, 0.00310762/step Wall: 15568.2, 0.00310762/step, 0.146921 hours remaining, 235.984375 MB of memory in use. ENERGY: 4829800 3968.6909 20426.7911 14445.9938 247.1163 -203419.5281 2645.9451 0.0000 0.0000 51883.9268 -109801.0641 298.1776 -161684.9909 -109447.0880 298.6081 -62.5056 -30.6059 762531.5432 4.8498 4.7007 PRESSURE: 4830000 190.983 -123.297 134.998 -123.296 84.9076 207.432 134.998 207.431 185.992 GPRESSURE: 4830000 155.732 -238.617 37.606 -227.592 186.241 257.35 80.7599 198.989 198.043 PRESSAVG: 4830000 28.3995 -27.0468 57.0139 -27.0469 14.6239 18.8612 57.0139 18.8612 8.92991 GPRESSAVG: 4830000 28.5378 -27.59 55.6795 -29.8315 15.6604 19.7419 54.0895 18.2457 8.13309 TIMING: 4830000 CPU: 15568.8, 0.00312132/step Wall: 15568.8, 0.00312132/step, 0.147396 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4830000 4024.1447 20510.2643 14377.1145 236.3831 -203691.0649 2728.2914 0.0000 0.0000 51864.4215 -109950.4453 298.0655 -161814.8668 -109601.6251 298.5089 153.9609 180.0053 759758.6861 17.3178 17.4438 PRESSURE: 4830200 266.908 20.4304 -93.1362 20.4324 3.01771 -113.851 -93.1363 -113.851 348.8 GPRESSURE: 4830200 254.576 -45.7622 -115.86 13.3863 100.517 -80.9826 -211.562 -45.2837 369.366 PRESSAVG: 4830200 -6.65494 -11.1238 18.9301 -11.1237 5.50859 -41.8508 18.9301 -41.8508 21.2169 GPRESSAVG: 4830200 -7.24046 -12.8536 20.1221 -9.10327 4.9904 -41.7812 20.2375 -43.3454 22.7929 TIMING: 4830200 CPU: 15569.5, 0.00313575/step Wall: 15569.5, 0.00313575/step, 0.147903 hours remaining, 235.984375 MB of memory in use. ENERGY: 4830200 3960.6219 20384.8484 14398.3580 263.7882 -203671.0337 2755.3113 0.0000 0.0000 52151.1074 -109756.9985 299.7131 -161908.1059 -109382.9367 298.6919 206.2418 241.4865 759774.6522 6.6902 6.8476 PRESSURE: 4830400 125.231 149.176 -42.5625 149.176 82.8772 117.256 -42.5631 117.256 219.337 GPRESSURE: 4830400 153.945 190.381 -104.649 200.049 134.502 14.7647 -8.12362 -58.8166 214.784 PRESSAVG: 4830400 -0.929774 6.4061 6.0914 6.40614 -19.2933 -16.2664 6.09136 -16.2663 -3.03953 GPRESSAVG: 4830400 -0.0419519 9.18296 5.63015 5.77121 -19.3975 -16.1629 7.33524 -15.6902 -4.0893 TIMING: 4830400 CPU: 15570.1, 0.00312615/step Wall: 15570.1, 0.00312615/step, 0.147276 hours remaining, 235.984375 MB of memory in use. ENERGY: 4830400 4009.4701 20450.1925 14478.2579 271.9878 -203335.1982 2463.6574 0.0000 0.0000 51950.2228 -109711.4098 298.5586 -161661.6326 -109345.7281 298.8187 142.4817 167.7437 759206.3350 -7.7542 -7.8429 PRESSURE: 4830600 -121.351 -76.0387 -184.935 -76.0384 79.8913 -103.996 -184.935 -103.997 81.8667 GPRESSURE: 4830600 -77.8675 7.56044 -249.732 -96.9011 52.6196 -105.4 -186.167 -36.4925 137.647 PRESSAVG: 4830600 34.7908 -33.4792 -12.7517 -33.4792 16.6777 -24.8509 -12.7517 -24.851 -15.8536 GPRESSAVG: 4830600 32.8261 -36.3219 -13.2943 -32.7404 18.1886 -25.1949 -14.4666 -24.2364 -15.6117 TIMING: 4830600 CPU: 15570.7, 0.00312509/step Wall: 15570.7, 0.00312509/step, 0.147053 hours remaining, 235.984375 MB of memory in use. ENERGY: 4830600 3921.0146 20495.0486 14475.3325 249.9411 -203091.4956 2312.5320 0.0000 0.0000 52061.0924 -109576.5345 299.1958 -161637.6269 -109213.6850 299.2375 13.4691 37.4663 761481.3984 11.8716 11.8010 PRESSURE: 4830800 -158.843 116.846 -10.3077 116.845 107.098 -36.7983 -10.3083 -36.7986 140.458 GPRESSURE: 4830800 -113.038 168.688 59.4601 144.108 144.813 -70.0904 29.4507 5.26117 170.75 PRESSAVG: 4830800 -25.7633 5.19147 50.3719 5.19153 3.11402 -20.704 50.3718 -20.704 13.5882 GPRESSAVG: 4830800 -24.5651 6.7319 51.6616 4.34406 2.61911 -19.4529 48.5644 -21.8432 13.114 TIMING: 4830800 CPU: 15571.3, 0.00310718/step Wall: 15571.3, 0.00310718/step, 0.146038 hours remaining, 235.984375 MB of memory in use. ENERGY: 4830800 3991.5925 20520.8250 14482.4773 245.4250 -203334.2600 2555.9513 0.0000 0.0000 52012.4431 -109525.5457 298.9162 -161537.9888 -109167.5839 299.2691 29.5710 67.5083 761416.9784 -3.0204 -2.9440 PRESSURE: 4831000 -182.27 178.316 173.153 178.316 -305.401 -106.497 173.152 -106.497 -48.8525 GPRESSURE: 4831000 -168.287 69.8215 153.559 29.6669 -287.583 -55.1648 158.261 -57.619 5.51673 PRESSAVG: 4831000 61.506 -1.86703 10.4162 -1.86706 -46.0565 -15.3362 10.4162 -15.3362 -20.0187 GPRESSAVG: 4831000 62.338 -1.39837 7.90995 -3.49542 -46.782 -16.0618 13.7599 -14.7947 -19.9323 TIMING: 4831000 CPU: 15572, 0.00310914/step Wall: 15572, 0.00310914/step, 0.145957 hours remaining, 235.984375 MB of memory in use. ENERGY: 4831000 4008.9772 20467.9598 14380.3468 246.8829 -202824.0538 2228.4150 0.0000 0.0000 51976.9589 -109514.5132 298.7123 -161491.4722 -109152.3742 298.9623 -178.8414 -150.1177 761823.2983 -1.5231 -1.4588 PRESSURE: 4831200 -334.081 -187.762 -57.34 -187.761 -76.629 -27.243 -57.3394 -27.2423 -98.7652 GPRESSURE: 4831200 -259.735 -183.154 -16.2417 -118.952 -74.8683 -28.5889 5.80657 66.6039 -55.3487 PRESSAVG: 4831200 30.0243 -19.5931 11.4335 -19.593 -44.7168 -33.0518 11.4334 -33.0518 -18.9652 GPRESSAVG: 4831200 28.4626 -20.7138 11.6733 -18.3655 -43.2852 -33.9361 11.2399 -32.1754 -19.0791 TIMING: 4831200 CPU: 15572.6, 0.00310403/step Wall: 15572.6, 0.00310403/step, 0.145545 hours remaining, 235.984375 MB of memory in use. ENERGY: 4831200 3992.7979 20451.4783 14469.3104 232.6721 -203452.4617 2650.1711 0.0000 0.0000 52076.6447 -109579.3873 299.2852 -161656.0320 -109214.9006 299.1890 -169.8249 -129.9841 762408.1304 -11.2192 -11.3006 PRESSURE: 4831400 -326.626 146.821 230.614 146.821 -239.087 53.9341 230.614 53.9335 44.9737 GPRESSURE: 4831400 -387.765 162.642 247.003 129.065 -93.6739 10.6798 176.673 65.242 57.1753 PRESSAVG: 4831400 -31.6284 -35.2932 -25.2606 -35.2932 -7.98451 -2.31188 -25.2606 -2.31193 -4.08138 GPRESSAVG: 4831400 -31.7133 -32.4442 -23.8874 -34.8559 -8.02424 -2.69839 -25.7363 -2.02921 -3.81938 TIMING: 4831400 CPU: 15573.2, 0.00310058/step Wall: 15573.2, 0.00310058/step, 0.14521 hours remaining, 235.984375 MB of memory in use. ENERGY: 4831400 4037.2908 20412.9089 14468.6040 251.9246 -203152.0810 2549.7516 0.0000 0.0000 52063.4689 -109368.1323 299.2095 -161431.6012 -109006.0762 299.2863 -173.5798 -141.4214 760832.7151 -14.5647 -14.5190 PRESSURE: 4831600 -208.97 -304.488 -94.9593 -304.488 -22.8491 -80.142 -94.9594 -80.1414 -1.52101 GPRESSURE: 4831600 -151.097 -209.545 -53.0835 -335.26 -19.5791 -116.14 -141.196 -173.252 26.115 PRESSAVG: 4831600 -66.2616 -16.5497 -48.3919 -16.5496 20.3171 25.9251 -48.392 25.9249 -5.02994 GPRESSAVG: 4831600 -66.201 -16.6769 -48.4034 -16.5758 19.1716 26.9463 -49.0917 23.822 -4.01591 TIMING: 4831600 CPU: 15573.8, 0.00311931/step Wall: 15573.8, 0.00311931/step, 0.145915 hours remaining, 235.984375 MB of memory in use. ENERGY: 4831600 3991.0040 20407.5096 14494.9953 258.8864 -203138.4058 2597.1341 0.0000 0.0000 51997.1246 -109391.7518 298.8282 -161388.8763 -109027.1212 299.5689 -77.7802 -48.1869 762441.2595 -16.9915 -17.0151 PRESSURE: 4831800 42.165 157.036 -197.953 157.037 -393.096 -72.514 -197.953 -72.5134 -229.975 GPRESSURE: 4831800 8.06136 6.69667 -144.328 68.2144 -297.531 -26.5301 -117.412 56.3237 -200.219 PRESSAVG: 4831800 5.15108 -50.3141 -29.4646 -50.3142 20.7421 -8.34253 -29.4646 -8.34255 3.04505 GPRESSAVG: 4831800 4.78008 -50.2445 -28.1969 -51.2319 22.003 -8.56305 -27.5028 -5.30189 1.90543 TIMING: 4831800 CPU: 15574.4, 0.00311903/step Wall: 15574.4, 0.00311903/step, 0.145728 hours remaining, 235.984375 MB of memory in use. ENERGY: 4831800 4069.7488 20413.4392 14423.1808 243.1804 -203178.9411 2626.2615 0.0000 0.0000 51933.9731 -109469.1572 298.4653 -161403.1304 -109110.7361 299.5207 -193.6351 -163.2296 763446.3762 9.6461 9.5628 PRESSURE: 4832000 -243.629 136.721 -60.2801 136.721 239.902 -253.016 -60.2793 -253.015 -163.943 GPRESSURE: 4832000 -5.27072 185.187 -47.1237 116.764 156.116 -255.888 -78.3795 -255.181 -217.687 PRESSAVG: 4832000 31.6214 -7.12399 -2.84808 -7.12407 -64.0367 -48.2945 -2.84806 -48.2946 -8.79797 GPRESSAVG: 4832000 31.8191 -8.16963 -5.42952 -6.02448 -65.299 -48.5805 -3.51559 -48.9079 -7.99853 TIMING: 4832000 CPU: 15575.1, 0.00312116/step Wall: 15575.1, 0.00312116/step, 0.145654 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4832000 3978.3670 20486.1268 14509.0232 259.0790 -203271.1133 2461.3876 0.0000 0.0000 51905.6573 -109671.4723 298.3025 -161577.1297 -109307.1521 299.2342 -55.8901 -22.2805 762941.9417 -13.7378 -13.8261 PRESSURE: 4832200 -131.462 -156.168 -36.9736 -156.167 -214.968 -109.588 -36.9737 -109.588 -296.196 GPRESSURE: 4832200 -95.4193 -197.436 -46.2474 -237.085 -137.374 -85.9027 -47.7736 -70.1694 -335.447 PRESSAVG: 4832200 13.103 28.6525 -62.8937 28.6526 -21.2969 -2.03217 -62.8937 -2.03219 8.49529 GPRESSAVG: 4832200 13.1392 29.0683 -61.6136 27.4991 -20.9463 -1.56785 -63.8143 -4.41497 7.67479 TIMING: 4832200 CPU: 15575.7, 0.00310566/step Wall: 15575.7, 0.00310566/step, 0.144758 hours remaining, 235.984375 MB of memory in use. ENERGY: 4832200 4067.9561 20459.5231 14494.0257 259.2085 -203250.4528 2328.0745 0.0000 0.0000 52125.8962 -109515.7688 299.5682 -161641.6650 -109159.8450 298.9265 -214.2085 -189.4134 763493.1719 0.1005 -0.0441 LDB: ============= START OF LOAD BALANCING ============== 15588.1 LDB: ============== END OF LOAD BALANCING =============== 15588.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15588.1 LDB: ============= START OF LOAD BALANCING ============== 15588.4 LDB: Largest compute 7075 load 0.035851 is 18.3% of average load 0.195580 LDB: Average compute 0.004365 is 2.2% of average load 0.195580 LDB: TIME 15588.4 LOAD: AVG 0.19558 MAX 0.214043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.688 MB LDB: TIME 15588.4 LOAD: AVG 0.19558 MAX 0.214043 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: TIME 15588.4 LOAD: AVG 0.19558 MAX 0.214043 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: ============== END OF LOAD BALANCING =============== 15588.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15588.4 PRESSURE: 4832400 477.623 -25.0591 22.1547 -25.0585 162.989 -111.187 22.1545 -111.189 100.613 GPRESSURE: 4832400 462.252 -80.3631 32.5165 -163.964 197.653 -102.842 182.485 -48.2128 174.969 PRESSAVG: 4832400 5.78116 -90.7921 -15.4366 -90.7921 4.96772 -9.5463 -15.4366 -9.54629 -34.2258 GPRESSAVG: 4832400 5.33363 -90.2789 -15.8925 -89.8579 4.90692 -8.64134 -14.583 -7.24248 -34.1652 TIMING: 4832400 CPU: 15576.3, 0.00320504/step Wall: 15576.3, 0.00320504/step, 0.149212 hours remaining, 235.453125 MB of memory in use. ENERGY: 4832400 3966.5687 20543.7087 14437.2540 226.2158 -203670.2466 2873.9256 0.0000 0.0000 51904.3194 -109718.2545 298.2948 -161622.5739 -109340.5076 298.7989 247.0748 278.2914 761158.4418 -7.8257 -7.9749 PRESSURE: 4832600 80.9564 -183.59 50.4079 -183.59 -147.468 -126.204 50.4075 -126.206 117.219 GPRESSURE: 4832600 64.5448 -56.1282 -3.82 -268.684 -80.7018 -86.8476 -28.6136 -126.354 160.978 PRESSAVG: 4832600 -16.2896 -46.3185 -30.5488 -46.3186 -3.73881 54.9471 -30.5488 54.9471 -12.1162 GPRESSAVG: 4832600 -15.2567 -46.3905 -30.7134 -47.1318 -4.35098 53.6984 -31.4318 54.4327 -12.0123 TIMING: 4832600 CPU: 15577, 0.00311079/step Wall: 15577, 0.00311078/step, 0.144652 hours remaining, 236.171875 MB of memory in use. ENERGY: 4832600 3947.1065 20460.4240 14524.4003 259.8586 -203788.6180 2821.0161 0.0000 0.0000 52153.1202 -109622.6923 299.7247 -161775.8125 -109259.3165 298.5638 16.9026 48.2736 761181.3562 -10.7149 -10.5400 PRESSURE: 4832800 55.3543 -97.3768 44.4674 -97.3775 85.4358 22.245 44.4672 22.2451 -319.625 GPRESSURE: 4832800 47.1582 5.86451 34.4809 -102.185 27.0104 -44.6439 241.739 -63.7951 -149.729 PRESSAVG: 4832800 48.5863 -72.3259 -20.3956 -72.3259 -65.669 -32.6695 -20.3956 -32.6695 -6.34083 GPRESSAVG: 4832800 47.378 -72.998 -18.9181 -72.7353 -65.5286 -32.6414 -20.473 -30.9029 -5.36875 TIMING: 4832800 CPU: 15577.6, 0.00310121/step Wall: 15577.6, 0.00310121/step, 0.144034 hours remaining, 236.234375 MB of memory in use. ENERGY: 4832800 4019.7976 20588.0076 14411.9739 239.7077 -203664.1042 2702.9168 0.0000 0.0000 51774.9535 -109926.7470 297.5514 -161701.7006 -109570.4861 298.8470 -59.6116 -25.1867 761824.7499 -7.8079 -7.8398 PRESSURE: 4833000 -131.123 -145.48 -32.4227 -145.479 -380.039 -15.4483 -32.4232 -15.4479 -498.288 GPRESSURE: 4833000 -143.634 -141.274 -125.377 -124.382 -270.754 -56.047 -96.7456 27.7588 -490.505 PRESSAVG: 4833000 -2.34257 -13.5928 -26.8282 -13.5929 -56.1065 -5.23865 -26.8282 -5.23874 0.355449 GPRESSAVG: 4833000 -2.87998 -16.7938 -27.3045 -10.4229 -56.4803 -6.29727 -26.9711 -8.24727 0.805638 TIMING: 4833000 CPU: 15578.2, 0.00312292/step Wall: 15578.2, 0.00312292/step, 0.144869 hours remaining, 236.304688 MB of memory in use. ENERGY: 4833000 3962.3223 20262.2919 14416.6003 258.4643 -203658.7205 2627.3427 0.0000 0.0000 51939.2105 -110192.4885 298.4954 -162131.6990 -109822.3410 297.7253 -336.4834 -301.6312 761163.3485 -19.3645 -19.5182 PRESSURE: 4833200 -168.528 -236.522 -4.50402 -236.521 -343.91 -8.09899 -4.50461 -8.09857 383.091 GPRESSURE: 4833200 -45.0089 -94.6314 93.0141 -113.829 -297.634 -73.3575 -104.98 142.089 301.844 PRESSAVG: 4833200 15.1648 -39.089 -2.11216 -39.089 -30.3277 20.8353 -2.11212 20.8354 -16.1508 GPRESSAVG: 4833200 15.6891 -34.2525 -2.2986 -41.0679 -29.1028 21.3414 -2.86628 22.2741 -18.2433 TIMING: 4833200 CPU: 15578.8, 0.00310862/step Wall: 15578.8, 0.00310862/step, 0.144033 hours remaining, 236.304688 MB of memory in use. ENERGY: 4833200 3866.5001 20456.9765 14417.3680 247.7392 -203651.6613 2923.5442 0.0000 0.0000 51605.1130 -110134.4203 296.5753 -161739.5333 -109779.9576 297.6600 -43.1155 -13.5997 762933.5247 -10.4379 -10.5523 PRESSURE: 4833400 236.339 22.1443 -107.882 22.1441 -163.183 3.85455 -107.882 3.85504 -314.809 GPRESSURE: 4833400 185.26 -62.7968 -22.8715 -37.427 10.501 25.2295 -69.5765 78.6705 -347.388 PRESSAVG: 4833400 -18.7086 -12.8377 34.8055 -12.8377 -7.03538 -33.3273 34.8055 -33.3274 -20.5449 GPRESSAVG: 4833400 -19.1063 -15.297 36.1577 -14.3508 -6.66834 -31.2592 35.3576 -33.7715 -20.3214 TIMING: 4833400 CPU: 15579.4, 0.00310902/step Wall: 15579.4, 0.00310902/step, 0.143878 hours remaining, 236.304688 MB of memory in use. ENERGY: 4833400 3959.4581 20355.5585 14436.4154 242.9918 -203573.2792 2524.2605 0.0000 0.0000 51925.5378 -110129.0570 298.4168 -162054.5949 -109768.0797 297.3323 -80.5512 -50.5425 760723.4291 -15.4296 -15.3654 PRESSURE: 4833600 110.561 246.156 -60.3673 246.156 -235.257 -341.531 -60.3668 -341.531 -159.547 GPRESSURE: 4833600 45.3953 116.733 -107.679 131.725 -162.737 -319.265 -76.8789 -288.675 -99.6352 PRESSAVG: 4833600 -40.064 -33.2898 33.4313 -33.2897 34.3637 0.655415 33.4313 0.655444 -14.6982 GPRESSAVG: 4833600 -39.9093 -31.1656 31.3452 -34.6476 32.4516 -0.698736 34.598 2.46112 -13.3543 TIMING: 4833600 CPU: 15580.1, 0.00310918/step Wall: 15580.1, 0.00310918/step, 0.143713 hours remaining, 236.304688 MB of memory in use. ENERGY: 4833600 4015.2187 20431.6635 14429.0649 236.4567 -203361.2934 2449.9527 0.0000 0.0000 51701.8899 -110097.0471 297.1315 -161798.9370 -109737.5635 297.6512 -94.7477 -72.3255 760962.6461 -6.7995 -6.9373 PRESSURE: 4833800 615.793 25.1153 -89.2373 25.1159 -382.993 119.184 -89.2375 119.184 501.319 GPRESSURE: 4833800 579.558 26.0275 -119.935 -141.875 -233.997 137.029 -71.5848 173.031 488.957 PRESSAVG: 4833800 -10.026 -38.0061 6.40664 -38.006 -32.4359 -16.8002 6.40666 -16.8002 12.2968 GPRESSAVG: 4833800 -9.52181 -41.4515 6.16303 -35.6983 -32.1669 -16.6619 5.46545 -16.6438 10.8603 TIMING: 4833800 CPU: 15580.7, 0.00311526/step Wall: 15580.7, 0.00311526/step, 0.143821 hours remaining, 236.304688 MB of memory in use. ENERGY: 4833800 3994.7387 20357.7814 14463.7816 240.7507 -203663.3430 2661.5364 0.0000 0.0000 52024.0997 -109920.6546 298.9832 -161944.7543 -109552.9889 298.1131 244.7063 278.1729 761461.7629 -10.0550 -10.2761 PRESSURE: 4834000 -238.894 -21.02 42.9113 -21.0201 -471.657 -85.6493 42.9118 -85.6495 -277.183 GPRESSURE: 4834000 -198.793 -143.6 -42.6723 39.6443 -334.833 -134.323 -23.4525 -64.3824 -346.504 PRESSAVG: 4834000 40.8081 -55.7533 -28.9963 -55.7533 -38.7863 7.26866 -28.9963 7.26871 -8.21741 GPRESSAVG: 4834000 41.0184 -55.4033 -29.5617 -56.5558 -39.9829 6.44468 -28.6966 5.48983 -7.48998 TIMING: 4834000 CPU: 15581.3, 0.00313058/step Wall: 15581.3, 0.00313058/step, 0.144355 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4834000 3973.9458 20490.8539 14472.7212 230.6848 -203835.1169 2774.9508 0.0000 0.0000 51847.6514 -110044.3091 297.9692 -161891.9605 -109679.8805 298.6364 -329.2446 -293.3768 760425.0028 -2.0652 -2.1515 PRESSURE: 4834200 94.9102 -61.091 132.975 -61.0915 -145.713 -11.636 132.975 -11.6362 -38.2738 GPRESSURE: 4834200 148.042 -35.2889 93.6542 -136.181 -113.349 -7.93153 44.7858 64.7444 -53.9483 PRESSAVG: 4834200 8.76718 -23.1351 -25.7964 -23.1351 -28.5951 32.7685 -25.7963 32.7684 -36.9932 GPRESSAVG: 4834200 8.77671 -21.1216 -25.2158 -24.0635 -28.955 33.4925 -25.827 33.9685 -36.7029 TIMING: 4834200 CPU: 15581.9, 0.00310789/step Wall: 15581.9, 0.00310789/step, 0.143136 hours remaining, 236.304688 MB of memory in use. ENERGY: 4834200 3912.4090 20509.8584 14436.3697 255.0817 -203552.1513 2555.2773 0.0000 0.0000 51812.6111 -110070.5442 297.7678 -161883.1552 -109696.8012 298.0712 -29.6920 -6.4184 761233.4345 -18.9404 -18.9604 PRESSURE: 4834400 318.279 45.1979 -51.3637 45.1986 -62.4753 -53.2654 -51.3636 -53.2652 400.142 GPRESSURE: 4834400 341.956 30.4288 -32.2624 3.57893 -13.3883 -44.8554 80.0626 -60.5493 411.129 PRESSAVG: 4834400 7.95595 -22.4459 -20.1539 -22.446 -38.8388 66.4932 -20.1538 66.4931 -20.5087 GPRESSAVG: 4834400 8.24174 -23.4007 -20.4919 -19.7504 -38.1706 65.6962 -18.4616 66.4845 -20.8013 TIMING: 4834400 CPU: 15582.6, 0.00312242/step Wall: 15582.6, 0.00312242/step, 0.143631 hours remaining, 236.304688 MB of memory in use. ENERGY: 4834400 3959.2082 20422.6952 14437.5763 245.6759 -203507.5640 2680.0648 0.0000 0.0000 52006.4776 -109755.8659 298.8819 -161762.3434 -109395.2869 298.0556 218.6485 246.5657 761497.7516 -17.1305 -16.9100 PRESSURE: 4834600 5.81268 47.0975 -52.0385 47.0971 177.658 -130.946 -52.0384 -130.945 -188.054 GPRESSURE: 4834600 42.2963 102.959 -153.281 32.4693 263.509 -130.525 20.8221 -174.208 -239.063 PRESSAVG: 4834600 33.3371 -25.5838 19.7687 -25.5838 0.0328246 36.4512 19.7687 36.4512 -3.63395 GPRESSAVG: 4834600 32.447 -24.2552 20.972 -27.9489 0.626161 35.9504 18.8744 36.4869 -2.97657 TIMING: 4834600 CPU: 15583.2, 0.00311961/step Wall: 15583.2, 0.00311961/step, 0.143329 hours remaining, 236.304688 MB of memory in use. ENERGY: 4834600 3938.3191 20355.0054 14469.2811 266.6091 -203151.4787 2373.4514 0.0000 0.0000 52079.9587 -109668.8540 299.3042 -161748.8126 -109307.4899 298.3865 -1.5276 22.2476 761036.5104 9.9120 10.0322 PRESSURE: 4834800 -168.476 -153.517 -285.373 -153.517 -166.982 -348.021 -285.374 -348.022 -72.04 GPRESSURE: 4834800 -156.453 -33.3276 -210.349 -142.423 -123.432 -208.99 -303.145 -203.046 -37.0708 PRESSAVG: 4834800 29.8146 9.07812 -32.9312 9.07812 -10.03 -17.013 -32.9313 -17.0129 1.1043 GPRESSAVG: 4834800 30.7695 7.17907 -32.2295 10.2183 -9.97244 -16.7081 -32.2644 -18.2473 -0.158482 TIMING: 4834800 CPU: 15583.8, 0.00311871/step Wall: 15583.8, 0.00311871/step, 0.143114 hours remaining, 236.304688 MB of memory in use. ENERGY: 4834800 3966.3477 20475.0513 14509.3841 223.7834 -202727.5444 2164.5088 0.0000 0.0000 52003.5941 -109384.8749 298.8654 -161388.4690 -109033.6279 298.9246 -135.8327 -105.6519 759968.3145 6.9630 6.8795 PRESSURE: 4835000 -10.7608 -288.942 130.196 -288.942 -169.201 -267.648 130.197 -267.647 -96.9072 GPRESSURE: 4835000 5.06862 -150.267 92.5299 -222.918 -31.8919 -349.119 153.741 -284.204 -157.08 PRESSAVG: 4835000 -8.41905 -17.0773 28.4961 -17.0772 20.6609 -51.8123 28.4961 -51.8123 -7.78341 GPRESSAVG: 4835000 -7.86407 -15.5945 26.816 -15.7751 19.5392 -51.2239 28.714 -51.1835 -6.98765 TIMING: 4835000 CPU: 15584.4, 0.00311432/step Wall: 15584.4, 0.00311432/step, 0.14274 hours remaining, 236.304688 MB of memory in use. ENERGY: 4835000 4007.4722 20463.2941 14456.0098 245.3451 -203040.7641 2436.6087 0.0000 0.0000 51939.2875 -109492.7467 298.4958 -161432.0342 -109144.7507 299.2640 -92.2896 -61.3012 762587.2989 1.4861 1.5625 PRESSURE: 4835200 227.054 17.157 -69.265 17.1563 -232.484 -69.4498 -69.2656 -69.4494 40.6111 GPRESSURE: 4835200 208.22 -24.0694 -21.8472 52.1779 -181.856 -116.761 -43.9125 24.167 100.591 PRESSAVG: 4835200 34.1441 -37.4307 -48.5598 -37.4308 2.47051 -0.510346 -48.5597 -0.510332 14.3038 GPRESSAVG: 4835200 33.5871 -38.6419 -48.0531 -38.1595 3.35171 -0.826589 -48.7614 0.272926 13.7758 TIMING: 4835200 CPU: 15585.1, 0.00312589/step Wall: 15585.1, 0.00312589/step, 0.143096 hours remaining, 236.304688 MB of memory in use. ENERGY: 4835200 4009.2971 20473.6535 14426.1385 232.4301 -203376.0431 2457.2975 0.0000 0.0000 52125.6540 -109651.5725 299.5669 -161777.2265 -109276.6879 298.6462 11.7268 42.3182 759936.1690 16.9728 16.9049 PRESSURE: 4835400 -189.25 -294.345 -109.052 -294.345 62.8773 57.3463 -109.052 57.346 -122.781 GPRESSURE: 4835400 -153.706 -117.374 -105.448 -170.857 150.285 52.9348 -227.014 191.519 -163.41 PRESSAVG: 4835400 7.69965 14.8855 -25.7342 14.8856 -56.6889 -23.5035 -25.7342 -23.5035 14.8794 GPRESSAVG: 4835400 8.07473 16.2686 -27.0521 15.1193 -58.0984 -23.6748 -25.6609 -23.6708 15.4709 TIMING: 4835400 CPU: 15585.7, 0.00312425/step Wall: 15585.7, 0.00312425/step, 0.142848 hours remaining, 236.304688 MB of memory in use. ENERGY: 4835400 4084.6508 20348.4816 14455.7458 244.2883 -203295.4747 2539.7133 0.0000 0.0000 52015.8566 -109606.7382 298.9358 -161622.5948 -109248.3591 298.9317 -83.0510 -55.6101 761444.8318 -11.3700 -11.5176 PRESSURE: 4835600 -192.73 -20.5654 -121.205 -20.5661 -21.6736 -116.547 -121.205 -116.547 -51.333 GPRESSURE: 4835600 -104.38 -113.889 -120.123 -23.8324 -42.8451 -132.334 -142.273 -115.862 -24.1157 PRESSAVG: 4835600 72.8417 -62.927 -32.6616 -62.927 -10.0735 -22.3499 -32.6616 -22.3499 9.10702 GPRESSAVG: 4835600 73.2655 -63.6453 -29.9048 -63.3165 -9.6955 -22.8813 -34.4065 -22.3674 8.69151 TIMING: 4835600 CPU: 15586.3, 0.00311848/step Wall: 15586.3, 0.00311848/step, 0.142411 hours remaining, 236.304688 MB of memory in use. ENERGY: 4835600 4062.8448 20440.7419 14427.6470 283.6900 -203422.3366 2531.4288 0.0000 0.0000 51947.3729 -109728.6112 298.5423 -161675.9840 -109363.2240 298.8934 -88.5790 -57.1136 760442.5110 23.9584 24.0872 PRESSURE: 4835800 124.293 -41.1042 131.185 -41.1045 64.2573 188.865 131.185 188.866 -355.603 GPRESSURE: 4835800 100.204 -137.364 210.121 -14.2973 126.432 163.871 156.763 -54.1024 -303.095 PRESSAVG: 4835800 -15.1322 -37.1305 40.1273 -37.1306 5.62755 -14.8274 40.1274 -14.8273 -2.56091 GPRESSAVG: 4835800 -16.3823 -36.0517 38.7769 -38.4984 5.89348 -14.5339 40.0575 -15.437 -1.85907 TIMING: 4835800 CPU: 15586.9, 0.00314213/step Wall: 15586.9, 0.00314213/step, 0.143316 hours remaining, 236.320312 MB of memory in use. ENERGY: 4835800 3978.1049 20491.6579 14426.1433 245.3259 -203291.1063 2645.2511 0.0000 0.0000 51880.6021 -109624.0211 298.1585 -161504.6232 -109260.5763 298.6533 -55.6843 -25.4863 760717.0153 -4.0219 -4.1160 PRESSURE: 4836000 -233.64 98.8557 138.856 98.8558 -72.6042 47.5999 138.855 47.6004 485.896 GPRESSURE: 4836000 -160.847 155.668 168.07 104.62 -74.7468 98.1836 150.434 -28.2294 493.216 PRESSAVG: 4836000 63.3728 -3.1091 40.82 -3.10921 -44.6216 -14.7635 40.82 -14.7634 8.77261 GPRESSAVG: 4836000 64.5859 -4.50376 40.804 -0.53376 -45.5219 -14.8983 39.989 -12.8927 8.40533 TIMING: 4836000 CPU: 15587.6, 0.00312273/step Wall: 15587.6, 0.00312273/step, 0.142258 hours remaining, 236.320312 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: 4836000 3983.1454 20513.9428 14476.1951 233.2257 -203067.6842 2471.9630 0.0000 0.0000 51902.4327 -109486.7794 298.2840 -161389.2121 -109122.8368 299.3084 59.8839 85.8743 761668.0308 9.1746 9.1565 PRESSURE: 4836200 -213.194 5.24021 144.778 5.24013 -34.5555 -143.541 144.777 -143.541 -166.384 GPRESSURE: 4836200 -67.2908 59.8063 128.678 -10.0605 -72.3978 -183.34 108.697 -231.195 -191.633 PRESSAVG: 4836200 32.3071 -66.7235 1.00896 -66.7235 -29.3186 -17.9365 1.00889 -17.9364 14.7132 GPRESSAVG: 4836200 32.0803 -66.2859 1.83969 -67.5598 -28.6686 -17.5469 1.00296 -21.3015 13.9749 TIMING: 4836200 CPU: 15588.2, 0.00310791/step Wall: 15588.2, 0.00310791/step, 0.14141 hours remaining, 236.320312 MB of memory in use. ENERGY: 4836200 3995.9342 20402.6795 14501.4039 264.7367 -203159.5828 2497.1861 0.0000 0.0000 52018.6290 -109479.0134 298.9518 -161497.6424 -109116.6916 299.0490 -138.0443 -110.4405 761193.8180 5.9006 5.7956 LDB: ============= START OF LOAD BALANCING ============== 15600.6 LDB: ============== END OF LOAD BALANCING =============== 15600.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15600.6 LDB: ============= START OF LOAD BALANCING ============== 15600.9 LDB: Largest compute 7075 load 0.034340 is 17.6% of average load 0.195628 LDB: Average compute 0.004380 is 2.2% of average load 0.195628 LDB: TIME 15600.9 LOAD: AVG 0.195628 MAX 0.214381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 15600.9 LOAD: AVG 0.195628 MAX 0.214381 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 15600.9 LOAD: AVG 0.195628 MAX 0.214381 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 15600.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15600.9 PRESSURE: 4836400 -35.8345 -178.165 138.744 -178.167 255.861 -114.283 138.744 -114.282 62.6799 GPRESSURE: 4836400 -13.2757 -198.335 85.5314 -179.149 270.144 -145.568 111.496 -115.346 94.3951 PRESSAVG: 4836400 -32.2104 -11.6228 47.2246 -11.6228 5.70259 -11.7055 47.2246 -11.7055 13.7027 GPRESSAVG: 4836400 -33.4278 -12.0025 47.5226 -11.1427 6.30651 -13.3797 46.3439 -9.87229 14.5841 TIMING: 4836400 CPU: 15588.8, 0.00317864/step Wall: 15588.8, 0.00317864/step, 0.144452 hours remaining, 236.164062 MB of memory in use. ENERGY: 4836400 3928.2260 20440.4881 14431.7674 260.5178 -203680.1087 2726.9159 0.0000 0.0000 52258.2692 -109633.9243 300.3290 -161892.1935 -109270.9754 298.8063 94.2354 117.0878 760986.4563 -4.2684 -4.1791 PRESSURE: 4836600 -6.2693 -11.6916 120.072 -11.6911 -73.2167 -105.174 120.072 -105.173 -189.117 GPRESSURE: 4836600 15.8604 64.6975 138.925 -52.2709 -93.005 -96.4507 28.5723 -98.3008 -103.548 PRESSAVG: 4836600 13.8005 -37.8884 -1.89217 -37.8884 -5.32937 -8.13928 -1.89218 -8.13933 -9.45256 GPRESSAVG: 4836600 12.8887 -39.2094 -2.22554 -37.9833 -5.27532 -6.39013 -1.76336 -7.45948 -8.22325 TIMING: 4836600 CPU: 15589.4, 0.00311874/step Wall: 15589.4, 0.00311874/step, 0.141556 hours remaining, 236.234375 MB of memory in use. ENERGY: 4836600 3995.8914 20558.8182 14475.6473 248.0625 -203170.0592 2565.2068 0.0000 0.0000 51902.9162 -109423.5167 298.2868 -161326.4330 -109069.2501 299.1770 -89.5342 -60.2308 760319.2505 -0.3271 -0.2033 PRESSURE: 4836800 -53.8197 -30.4949 -308.615 -30.4944 -64.6177 -107.911 -308.614 -107.911 -300.488 GPRESSURE: 4836800 15.5995 -106.166 -271.04 -13.1272 -32.1055 -133.933 -255.089 -115.685 -311.888 PRESSAVG: 4836800 35.2184 -41.0801 -9.89451 -41.0802 -14.5681 -26.1428 -9.89449 -26.1428 -21.8846 GPRESSAVG: 4836800 34.8419 -40.0978 -9.85763 -42.3811 -13.5299 -27.6507 -8.22369 -23.3979 -22.148 TIMING: 4836800 CPU: 15590.1, 0.00310986/step Wall: 15590.1, 0.00310986/step, 0.140981 hours remaining, 236.339844 MB of memory in use. ENERGY: 4836800 4022.3819 20582.4360 14394.5525 231.1708 -203230.5891 2527.8485 0.0000 0.0000 52144.0092 -109328.1902 299.6723 -161472.1994 -108971.9388 299.4270 -139.6418 -109.4648 759746.3417 -0.4115 -0.2787 PRESSURE: 4837000 160.227 19.18 105.096 19.1792 261.115 -165.605 105.097 -165.604 157.858 GPRESSURE: 4837000 218.313 76.5526 33.012 -25.2119 264.936 -74.5599 4.33989 -198.641 194.323 PRESSAVG: 4837000 -2.41704 -36.656 30.881 -36.6561 6.66278 -12.1047 30.8809 -12.1048 -12.8336 GPRESSAVG: 4837000 -1.31053 -36.4845 29.9846 -36.3379 5.40838 -10.9205 31.9164 -13.838 -12.6867 TIMING: 4837000 CPU: 15590.7, 0.00310815/step Wall: 15590.7, 0.00310815/step, 0.14073 hours remaining, 236.593750 MB of memory in use. ENERGY: 4837000 3963.9493 20607.5031 14491.6314 254.5786 -203400.5841 2537.2493 0.0000 0.0000 52097.4932 -109448.1793 299.4050 -161545.6724 -109091.5490 299.2744 193.0664 225.8575 761278.4611 -2.8626 -2.8629 PRESSURE: 4837200 -47.3043 247.778 38.7931 247.779 -45.4162 -194.453 38.7925 -194.452 -247.801 GPRESSURE: 4837200 15.9474 190.372 21.4337 254.556 -79.4677 -189.181 94.8443 -95.3708 -191.815 PRESSAVG: 4837200 11.697 -13.2246 -13.0299 -13.2245 -28.9794 -57.5577 -13.0299 -57.5576 19.6925 GPRESSAVG: 4837200 11.1258 -10.9493 -11.2607 -12.2853 -27.7579 -57.8934 -13.7636 -59.7158 19.2142 TIMING: 4837200 CPU: 15591.3, 0.00310974/step Wall: 15591.3, 0.00310974/step, 0.140629 hours remaining, 236.593750 MB of memory in use. ENERGY: 4837200 3973.5900 20558.5764 14506.4741 232.6128 -203093.9457 2210.8855 0.0000 0.0000 52075.0672 -109536.7396 299.2761 -161611.8068 -109168.8746 299.4892 -113.5072 -85.1118 760422.5840 0.8034 0.8607 PRESSURE: 4837400 -124.289 171.151 80.9082 171.15 11.0003 9.3906 80.9088 9.39168 -69.473 GPRESSURE: 4837400 -4.55564 122.538 19.1691 86.1216 -118.149 40.3194 82.2592 60.2923 6.23594 PRESSAVG: 4837400 -4.24345 -84.4265 -0.566677 -84.4266 41.2361 -17.7145 -0.56665 -17.7144 10.7416 GPRESSAVG: 4837400 -3.24556 -85.1295 -1.7352 -85.2953 40.9111 -19.0714 -1.85751 -17.5306 9.52695 TIMING: 4837400 CPU: 15591.9, 0.00311944/step Wall: 15591.9, 0.00311944/step, 0.140895 hours remaining, 236.593750 MB of memory in use. ENERGY: 4837400 3943.8894 20492.3872 14488.6291 233.7153 -203206.8330 2489.2497 0.0000 0.0000 51841.3313 -109717.6311 297.9328 -161558.9624 -109354.1320 298.4829 -60.9207 -38.8230 761971.4240 15.9114 15.7308 PRESSURE: 4837600 -295.549 56.2695 -32.0573 56.2695 -37.314 -6.66358 -32.0573 -6.664 -69.6676 GPRESSURE: 4837600 -307.255 56.8045 62.1382 42.4003 43.7846 23.7502 36.4069 -92.755 -57.976 PRESSAVG: 4837600 -15.0509 -1.30454 -40.9932 -1.30453 27.488 24.2883 -40.9933 24.2882 32.0262 GPRESSAVG: 4837600 -16.3918 -2.80784 -39.7999 -0.539006 28.5401 25.2071 -43.8167 25.1939 32.2995 TIMING: 4837600 CPU: 15592.6, 0.00312376/step Wall: 15592.6, 0.00312376/step, 0.140916 hours remaining, 236.593750 MB of memory in use. ENERGY: 4837600 3965.0940 20584.9856 14519.3296 274.2480 -203049.6487 2255.4099 0.0000 0.0000 51709.5477 -109741.0340 297.1755 -161450.5817 -109384.9131 298.6997 -134.1770 -107.1487 759746.3560 14.8211 14.8159 PRESSURE: 4837800 156.167 112.398 -132.412 112.398 146.861 -133.547 -132.412 -133.546 125.067 GPRESSURE: 4837800 222.064 184.452 -203.781 104.356 171.807 -55.0212 -67.0614 -266.034 104.685 PRESSAVG: 4837800 -8.50588 -11.2978 -42.9806 -11.2978 4.1566 -2.93254 -42.9806 -2.93253 -8.40648 GPRESSAVG: 4837800 -7.90468 -9.88519 -43.9349 -11.8217 3.16381 -2.06176 -39.6814 -3.57807 -7.79772 TIMING: 4837800 CPU: 15593.2, 0.00312838/step Wall: 15593.2, 0.00312838/step, 0.140951 hours remaining, 236.593750 MB of memory in use. ENERGY: 4837800 3946.2234 20505.2079 14533.7000 240.0114 -203822.4676 2795.9757 0.0000 0.0000 51910.9110 -109890.4382 298.3327 -161801.3493 -109527.3095 298.1578 142.6986 166.1855 759359.5804 -4.2519 -4.1795 PRESSURE: 4838000 499.005 155.009 266.08 155.009 12.21 149.848 266.079 149.848 23.2425 GPRESSURE: 4838000 486.948 160.458 224.934 167.909 107.424 135.935 177.929 158.286 19.4874 PRESSAVG: 4838000 26.5296 -6.85057 4.37629 -6.85055 -12.7625 -20.8777 4.37627 -20.8776 -4.21087 GPRESSAVG: 4838000 25.3096 -8.37335 3.69555 -6.84941 -11.8115 -20.1702 6.27327 -19.2947 -4.29422 TIMING: 4838000 CPU: 15593.8, 0.00311178/step Wall: 15593.8, 0.00311177/step, 0.14003 hours remaining, 236.593750 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: 4838000 3921.6209 20411.9137 14450.1990 246.9001 -203566.5827 2627.9928 0.0000 0.0000 52086.8311 -109821.1251 299.3437 -161907.9562 -109450.3390 298.3544 178.1525 204.6198 760136.2437 3.1854 3.0680 PRESSURE: 4838200 -214.921 -118.995 -126.538 -118.995 -16.0582 -163.899 -126.537 -163.9 174.374 GPRESSURE: 4838200 -108.178 -76.4128 -205.919 -146.544 53.6544 -134.644 -207.559 -160.845 74.9792 PRESSAVG: 4838200 23.2975 -87.306 -4.20226 -87.3061 -37.784 -13.267 -4.20224 -13.267 -17.6781 GPRESSAVG: 4838200 23.8023 -86.225 -3.80307 -88.4889 -38.7093 -14.9958 -6.39298 -14.4287 -17.7384 TIMING: 4838200 CPU: 15594.4, 0.00310221/step Wall: 15594.4, 0.00310221/step, 0.139427 hours remaining, 236.593750 MB of memory in use. ENERGY: 4838200 4027.4971 20583.4524 14500.2127 259.2273 -203249.2301 2250.5257 0.0000 0.0000 52008.8412 -109619.4737 298.8955 -161628.3149 -109255.4778 298.9357 -18.8684 6.8184 761372.8209 -10.7215 -10.8818 PRESSURE: 4838400 -85.263 42.317 -90.2648 42.3173 259.606 -31.7445 -90.2651 -31.7457 -48.3567 GPRESSURE: 4838400 -26.3321 85.0174 7.03691 -43.9552 308.943 -46.5061 -81.0714 39.1233 -56.6213 PRESSAVG: 4838400 -55.0795 -40.9734 5.68125 -40.9734 20.7533 12.9786 5.68122 12.9785 13.8948 GPRESSAVG: 4838400 -55.4844 -41.4577 7.60835 -41.2312 20.6618 13.1124 4.87048 14.2286 15.2586 TIMING: 4838400 CPU: 15595, 0.00312337/step Wall: 15595, 0.00312337/step, 0.140205 hours remaining, 236.593750 MB of memory in use. ENERGY: 4838400 3976.5732 20479.9994 14454.7373 206.0109 -203385.1945 2490.2581 0.0000 0.0000 52127.7512 -109649.8643 299.5789 -161777.6155 -109270.4637 299.1080 41.9954 75.3299 760419.0413 -6.8105 -6.5213 PRESSURE: 4838600 -36.0338 -151.827 -429.103 -151.828 -219.635 -109.969 -429.102 -109.967 -297.447 GPRESSURE: 4838600 27.4991 -116.512 -376.745 -132.92 -208.576 -110.341 -314.593 -191.042 -288.844 PRESSAVG: 4838600 0.93884 -55.7686 2.93409 -55.7686 80.0913 5.99077 2.93409 5.99071 8.51012 GPRESSAVG: 4838600 2.01859 -57.1833 1.68657 -53.7819 80.6902 5.023 3.7618 6.32129 6.69001 TIMING: 4838600 CPU: 15595.7, 0.00312289/step Wall: 15595.7, 0.00312289/step, 0.14001 hours remaining, 236.593750 MB of memory in use. ENERGY: 4838600 3955.5142 20665.6800 14429.0195 247.4679 -202931.4363 2040.3039 0.0000 0.0000 52020.7221 -109572.7287 298.9638 -161593.4508 -109211.6256 299.0590 -184.3720 -156.6402 759916.9625 29.8468 29.7996 PRESSURE: 4838800 -119.354 199.997 -216.39 199.997 272.957 98.5188 -216.391 98.5192 86.4321 GPRESSURE: 4838800 24.5522 234.268 -190.837 206.784 260.595 112.288 -161.884 42.5527 60.136 PRESSAVG: 4838800 -6.98245 -73.4977 -12.5868 -73.4978 -9.99258 -16.9559 -12.5868 -16.956 10.0537 GPRESSAVG: 4838800 -7.16169 -70.6179 -11.7968 -73.3256 -9.83884 -15.9066 -11.8223 -17.074 10.3547 TIMING: 4838800 CPU: 15596.3, 0.00311031/step Wall: 15596.3, 0.00311031/step, 0.139273 hours remaining, 236.593750 MB of memory in use. ENERGY: 4838800 3936.9190 20283.3817 14452.7906 237.8989 -203688.5861 2797.0524 0.0000 0.0000 52105.5526 -109874.9908 299.4513 -161980.5434 -109512.4888 298.6293 80.0119 115.0943 759536.8652 -2.3071 -2.2153 PRESSURE: 4839000 96.6679 -58.9028 183.07 -58.9039 34.0689 -162.406 183.071 -162.406 -191.816 GPRESSURE: 4839000 143.466 -75.1352 137.775 -111.039 118.262 -143.101 158.307 -133.282 -243.36 PRESSAVG: 4839000 37.7374 -58.5893 25.2757 -58.5893 -10.6016 4.78689 25.2757 4.78691 -4.10236 GPRESSAVG: 4839000 36.9469 -57.948 24.7709 -59.1174 -10.1336 4.62652 23.7612 1.52461 -4.77434 TIMING: 4839000 CPU: 15596.9, 0.0031102/step Wall: 15596.9, 0.0031102/step, 0.139095 hours remaining, 236.593750 MB of memory in use. ENERGY: 4839000 3911.4392 20563.7583 14439.1863 231.8285 -203227.6059 2479.3841 0.0000 0.0000 51861.5549 -109740.4546 298.0491 -161602.0094 -109387.9763 298.3148 -20.3598 6.1224 760274.3131 7.6778 7.3463 PRESSURE: 4839200 210.558 -86.1649 -65.6573 -86.1651 324.76 103.352 -65.657 103.351 -245.927 GPRESSURE: 4839200 215.384 -20.6132 12.2408 -0.441708 326.672 53.9878 -50.289 167.21 -189.687 PRESSAVG: 4839200 3.8124 -60.95 6.23955 -60.9501 -20.7 54.8992 6.23951 54.8992 -13.1954 GPRESSAVG: 4839200 4.47101 -62.2958 6.37414 -61.9531 -22.9478 55.5394 6.797 57.26 -11.706 TIMING: 4839200 CPU: 15597.5, 0.00311585/step Wall: 15597.5, 0.00311585/step, 0.139174 hours remaining, 236.593750 MB of memory in use. ENERGY: 4839200 3864.3110 20376.4026 14457.0601 254.4650 -203414.0134 2611.3915 0.0000 0.0000 52083.0150 -109767.3681 299.3218 -161850.3831 -109400.4041 298.0819 96.4638 117.4562 759850.6320 -10.0277 -10.0609 PRESSURE: 4839400 155.841 -39.7425 -72.5643 -39.7421 -130.408 -11.1362 -72.5642 -11.1362 -97.8341 GPRESSURE: 4839400 211.565 27.5272 -100.455 -54.798 -101.381 36.2927 -83.3487 -64.1604 -82.8726 PRESSAVG: 4839400 -3.87629 -31.8766 -40.4849 -31.8766 -9.41083 -20.7448 -40.485 -20.7447 16.0549 GPRESSAVG: 4839400 -3.92045 -33.2197 -41.1226 -32.017 -8.36086 -19.9174 -40.058 -21.9993 15.0112 TIMING: 4839400 CPU: 15598.2, 0.00312572/step Wall: 15598.2, 0.00312572/step, 0.139442 hours remaining, 236.593750 MB of memory in use. ENERGY: 4839400 3999.0731 20471.3679 14494.2742 250.9841 -203388.2186 2550.6904 0.0000 0.0000 52022.9396 -109598.8893 298.9765 -161621.8289 -109238.5484 298.3758 -24.1336 9.1036 758005.2588 0.9226 0.9100 PRESSURE: 4839600 224.093 -92.2457 29.295 -92.2447 -111.36 -189.068 29.2957 -189.067 -119.489 GPRESSURE: 4839600 207.991 12.6848 71.0132 -205.876 -25.8421 -153.659 -96.3437 -135.573 -94.7284 PRESSAVG: 4839600 29.164 -34.7066 -17.3515 -34.7066 -27.553 -21.5354 -17.3515 -21.5354 -23.2005 GPRESSAVG: 4839600 28.8975 -32.662 -15.5835 -34.5304 -26.8835 -20.6637 -17.9289 -21.3466 -23.1412 TIMING: 4839600 CPU: 15598.8, 0.00313286/step Wall: 15598.8, 0.00313286/step, 0.139586 hours remaining, 236.593750 MB of memory in use. ENERGY: 4839600 3996.2057 20525.7972 14383.9522 234.4379 -203209.4657 2437.0714 0.0000 0.0000 52050.9901 -109581.0112 299.1378 -161632.0013 -109226.3560 298.7804 -2.2522 29.1403 759424.4160 -7.1965 -7.0424 PRESSURE: 4839800 -71.2459 -331.092 1.7695 -331.091 -286.968 -245.98 1.76948 -245.979 -41.2062 GPRESSURE: 4839800 -112.741 -299.842 36.4927 -272.647 -280.848 -254.607 -61.2015 -254.153 42.6286 PRESSAVG: 4839800 -31.4942 -101.687 32.2611 -101.687 43.0736 -19.1637 32.2611 -19.1636 -1.87737 GPRESSAVG: 4839800 -32.4686 -102.002 32.8672 -101.559 43.4046 -20.3478 31.8191 -19.341 -1.90812 TIMING: 4839800 CPU: 15599.4, 0.00311151/step Wall: 15599.4, 0.00311151/step, 0.138462 hours remaining, 236.593750 MB of memory in use. ENERGY: 4839800 3951.8513 20540.6839 14442.1402 243.0587 -203714.6564 2661.9083 0.0000 0.0000 52002.3330 -109872.6810 298.8581 -161875.0140 -109499.6776 298.8262 -133.1401 -116.9869 760517.2800 3.2340 3.0093 PRESSURE: 4840000 107.066 -141.616 33.1801 -141.616 17.9533 -136.798 33.1814 -136.798 401.363 GPRESSURE: 4840000 250.937 -181.121 -41.9445 -79.3657 -44.5591 -169.406 -16.2372 -39.5812 403.369 PRESSAVG: 4840000 5.07923 -16.219 10.8962 -16.219 -11.5041 -4.89341 10.8963 -4.89333 2.96312 GPRESSAVG: 4840000 5.11205 -17.9793 8.30137 -15.3824 -11.6545 -5.35234 12.4302 -5.33058 2.75528 TIMING: 4840000 CPU: 15600, 0.00313481/step Wall: 15600, 0.00313481/step, 0.139325 hours remaining, 236.593750 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: 4840000 3963.2096 20516.8478 14375.1269 242.2194 -203716.4238 2628.7615 0.0000 0.0000 51855.7315 -110134.5270 298.0156 -161990.2585 -109774.1267 298.0769 175.4608 203.2492 757062.4900 -1.1539 -1.2624 PRESSURE: 4840200 194.275 23.1948 -47.6488 23.1938 137.858 -22.6208 -47.6488 -22.6224 181.278 GPRESSURE: 4840200 252.78 -26.8163 -30.7993 97.4895 177.906 -16.2927 14.9902 120.079 188.252 PRESSAVG: 4840200 87.7424 -7.96958 3.39308 -7.96961 -76.3334 -10.133 3.39317 -10.1331 13.4285 GPRESSAVG: 4840200 88.5423 -6.22586 3.58017 -6.92581 -76.5559 -11.3019 2.1521 -7.68547 12.8561 TIMING: 4840200 CPU: 15600.7, 0.00310696/step Wall: 15600.7, 0.00310696/step, 0.137915 hours remaining, 236.593750 MB of memory in use. ENERGY: 4840200 3935.7561 20374.1634 14453.5576 236.7345 -203557.1492 2596.8033 0.0000 0.0000 51899.8928 -110060.2415 298.2694 -161960.1343 -109695.2010 298.0982 171.1367 206.3126 758316.5525 8.2791 8.2808 LDB: ============= START OF LOAD BALANCING ============== 15613.1 LDB: ============== END OF LOAD BALANCING =============== 15613.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15613.1 LDB: ============= START OF LOAD BALANCING ============== 15613.4 LDB: Largest compute 7075 load 0.035346 is 18.1% of average load 0.195622 LDB: Average compute 0.004365 is 2.2% of average load 0.195622 LDB: TIME 15613.4 LOAD: AVG 0.195622 MAX 0.216591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.262 MB LDB: TIME 15613.4 LOAD: AVG 0.195622 MAX 0.216591 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 15613.4 LOAD: AVG 0.195622 MAX 0.216591 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 15613.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15613.4 PRESSURE: 4840400 -159.475 -54.8262 337.427 -54.8275 688.029 -25.2148 337.427 -25.2139 136.125 GPRESSURE: 4840400 4.83778 -45.3671 375.302 44.6254 615.557 -48.3387 190.745 -52.3942 136.468 PRESSAVG: 4840400 19.4775 -48.9335 3.85544 -48.9335 -26.8815 7.82469 3.85545 7.82466 -4.77139 GPRESSAVG: 4840400 20.2125 -48.698 3.44284 -48.7783 -26.4564 9.82031 3.4273 5.98828 -6.05832 TIMING: 4840400 CPU: 15601.3, 0.0031897/step Wall: 15601.3, 0.0031897/step, 0.14141 hours remaining, 235.898438 MB of memory in use. ENERGY: 4840400 4025.3434 20587.9514 14430.0034 247.3398 -203585.7138 2651.0039 0.0000 0.0000 51819.9939 -109824.0780 297.8102 -161644.0719 -109472.4629 298.3537 221.5600 252.2876 758867.5081 -4.0585 -4.1007 PRESSURE: 4840600 -146.88 57.4904 -116.759 57.4903 -242.812 -235.676 -116.758 -235.675 -222.24 GPRESSURE: 4840600 -85.084 28.0677 -96.9196 32.9707 -145.212 -285.152 -177 -226.717 -272.473 PRESSAVG: 4840600 -35.3278 -54.0484 19.6476 -54.0484 45.6551 2.46937 19.6476 2.46939 -8.64289 GPRESSAVG: 4840600 -36.0792 -54.7979 19.0352 -56.4674 45.3759 1.12015 20.5654 3.46267 -7.76836 TIMING: 4840600 CPU: 15601.9, 0.00312502/step Wall: 15601.9, 0.00312502/step, 0.138369 hours remaining, 235.968750 MB of memory in use. ENERGY: 4840600 4008.9341 20573.7898 14406.4324 251.0526 -202634.4966 1953.2058 0.0000 0.0000 51790.5546 -109650.5274 297.6410 -161441.0820 -109288.6416 298.7931 -203.9772 -167.5895 762302.2406 0.5615 0.5094 PRESSURE: 4840800 -12.1012 25.9144 -209.161 25.9153 29.2835 90.9982 -209.161 90.9975 -91.5346 GPRESSURE: 4840800 -37.503 58.288 -198.53 -62.3749 94.6203 120.967 -78.5101 104.327 -44.853 PRESSAVG: 4840800 34.2991 5.81269 -31.4891 5.81275 -29.4553 6.4029 -31.4891 6.40294 24.4823 GPRESSAVG: 4840800 33.9526 6.03294 -32.5102 5.52014 -29.695 8.0204 -32.9735 7.10435 24.827 TIMING: 4840800 CPU: 15602.5, 0.0031058/step Wall: 15602.5, 0.0031058/step, 0.137345 hours remaining, 236.296875 MB of memory in use. ENERGY: 4840800 3977.4359 20629.9570 14415.5336 247.8193 -203816.5237 2870.7815 0.0000 0.0000 51980.7973 -109694.1991 298.7344 -161674.9964 -109331.7850 298.5581 -24.7841 4.0881 759153.0810 9.7754 9.6949 PRESSURE: 4841000 -244.01 -201.254 -204.678 -201.253 -46.8159 -102.141 -204.678 -102.141 -533.438 GPRESSURE: 4841000 -154.568 -84.9543 -178.476 -159.46 -64.3908 -162.234 -185.582 -165.802 -504.247 PRESSAVG: 4841000 33.9715 -10.9342 -32.9463 -10.9342 -8.13586 -18.2795 -32.9464 -18.2794 24.8962 GPRESSAVG: 4841000 34.8273 -12.4972 -29.5182 -8.43942 -7.95621 -20.5373 -30.1466 -17.1372 24.0351 TIMING: 4841000 CPU: 15603.2, 0.00309885/step Wall: 15603.2, 0.00309885/step, 0.136866 hours remaining, 236.503906 MB of memory in use. ENERGY: 4841000 4014.4609 20552.6690 14450.8079 252.6897 -202939.8283 2179.3945 0.0000 0.0000 52015.1297 -109474.6767 298.9317 -161489.8063 -109108.5342 298.8934 -274.7546 -241.0686 760526.7997 16.9106 16.9687 PRESSURE: 4841200 -309.931 -78.18 91.7334 -78.1794 -301.27 -26.7668 91.7336 -26.7657 -43.7041 GPRESSURE: 4841200 -291.975 -88.2367 36.1552 24.4667 -257.272 -84.4531 55.1884 131.405 -35.6578 PRESSAVG: 4841200 -15.2037 -64.872 -74.2977 -64.8719 35.1742 -64.9924 -74.2977 -64.9923 32.6614 GPRESSAVG: 4841200 -14.6251 -62.9294 -74.8913 -65.4485 34.2262 -62.7227 -77.4426 -67.0364 32.4324 TIMING: 4841200 CPU: 15603.8, 0.00309361/step Wall: 15603.8, 0.00309361/step, 0.136463 hours remaining, 236.503906 MB of memory in use. ENERGY: 4841200 4058.0218 20645.9043 14518.1217 243.3901 -203578.9684 2570.4615 0.0000 0.0000 52164.4854 -109378.5835 299.7900 -161543.0690 -109033.0490 299.5936 -218.3015 -194.9681 760976.7852 17.5440 17.3445 PRESSURE: 4841400 -186.097 131.286 -138.32 131.286 -197.611 -308.092 -138.32 -308.093 -106.168 GPRESSURE: 4841400 -105.787 127.918 -169.399 15.6219 -277.944 -272.341 -164.665 -241.817 -14.5314 PRESSAVG: 4841400 -12.0773 -34.3962 -50.6865 -34.3962 -16.0352 9.16798 -50.6864 9.16804 -4.43688 GPRESSAVG: 4841400 -12.1628 -34.8462 -51.4365 -33.0442 -16.7381 9.12539 -50.6246 8.64311 -3.42051 TIMING: 4841400 CPU: 15604.4, 0.00311396/step Wall: 15604.4, 0.00311396/step, 0.137187 hours remaining, 236.503906 MB of memory in use. ENERGY: 4841400 4010.1166 20637.1826 14399.8552 236.1112 -203118.6434 2278.1777 0.0000 0.0000 52111.6928 -109445.5073 299.4866 -161557.2001 -109085.5148 299.4840 -163.2920 -132.7540 761445.8739 -10.8498 -10.7738 PRESSURE: 4841600 69.6176 -186.492 -63.2471 -186.492 100.687 -21.071 -63.2465 -21.0714 81.7342 GPRESSURE: 4841600 43.2012 -201.081 -9.63538 -219.512 206.351 3.80589 -143.542 31.7929 84.3377 PRESSAVG: 4841600 -16.6305 -33.9854 50.1837 -33.9854 -0.0978269 -47.7506 50.1837 -47.7507 26.1069 GPRESSAVG: 4841600 -17.8205 -32.2106 49.4346 -35.6396 1.841 -48.3256 51.0576 -48.3092 25.8111 TIMING: 4841600 CPU: 15605, 0.00311447/step Wall: 15605, 0.00311447/step, 0.137037 hours remaining, 236.558594 MB of memory in use. ENERGY: 4841600 3944.6603 20511.9609 14473.5573 243.3504 -203052.7588 2355.8097 0.0000 0.0000 52051.6060 -109471.8141 299.1413 -161523.4201 -109112.1930 299.2737 84.0131 111.2966 760198.5265 3.1262 3.2772 PRESSURE: 4841800 -332.826 -56.3093 60.833 -56.3101 -202.674 -58.0247 60.8313 -58.025 -341.154 GPRESSURE: 4841800 -277.649 -96.4033 -18.959 -61.7617 -145.606 -43.0141 -76.8697 -3.60326 -363.999 PRESSAVG: 4841800 -19.4454 -69.2397 23.9438 -69.2397 -6.23799 -21.7704 23.9438 -21.7704 -16.6247 GPRESSAVG: 4841800 -17.3299 -70.9984 22.4371 -67.2895 -6.43157 -23.9945 24.3047 -18.8993 -18.4314 TIMING: 4841800 CPU: 15605.7, 0.00310792/step Wall: 15605.7, 0.00310792/step, 0.136576 hours remaining, 236.570312 MB of memory in use. ENERGY: 4841800 4005.8930 20431.9209 14509.0696 232.3598 -203607.9391 2754.9002 0.0000 0.0000 52167.7903 -109506.0053 299.8090 -161673.7956 -109144.7883 299.3263 -292.2179 -262.4179 760802.9860 -14.1027 -14.0643 PRESSURE: 4842000 -233.12 115.945 -72.0008 115.946 -345.545 134.658 -72.002 134.658 -50.3497 GPRESSURE: 4842000 -175.644 89.1214 -12.3329 4.0261 -241.221 131.037 -110.262 286.072 -107.939 PRESSAVG: 4842000 13.6491 -47.2538 -1.07877 -47.2538 -28.5868 -64.0127 -1.07874 -64.0126 17.5625 GPRESSAVG: 4842000 11.1313 -47.0991 0.458262 -48.5347 -27.3138 -63.7732 1.03049 -62.4716 18.9751 TIMING: 4842000 CPU: 15606.3, 0.00311005/step Wall: 15606.3, 0.00311005/step, 0.136497 hours remaining, 236.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4842000 4028.5729 20429.4429 14511.5566 255.6215 -203410.9045 2636.9702 0.0000 0.0000 52097.1369 -109451.6036 299.4030 -161548.7405 -109089.7502 299.4604 -209.6714 -174.9346 760532.1469 0.8749 0.9309 PRESSURE: 4842200 -54.9277 -90.1876 85.8381 -90.1887 125.357 -17.9029 85.8385 -17.9035 13.3642 GPRESSURE: 4842200 35.4686 -86.0091 42.735 -58.7275 135.99 -2.34131 159.367 33.4501 12.8733 PRESSAVG: 4842200 33.0433 -3.89664 7.01788 -3.89671 -18.5657 19.765 7.01789 19.765 -27.4391 GPRESSAVG: 4842200 35.0724 -2.41658 8.56064 -4.47025 -20.5841 19.9721 4.50078 17.9312 -27.3258 TIMING: 4842200 CPU: 15606.9, 0.00311/step Wall: 15606.9, 0.00311/step, 0.136322 hours remaining, 236.570312 MB of memory in use. ENERGY: 4842200 3970.3560 20565.4825 14487.1608 245.5870 -203200.7585 2443.0138 0.0000 0.0000 51981.2546 -109507.9037 298.7370 -161489.1584 -109148.8804 299.2770 27.9311 61.4441 758952.0422 -4.3205 -4.2791 PRESSURE: 4842400 -60.0458 -170.86 -186.107 -170.86 -115.688 -210.203 -186.106 -210.204 -173.474 GPRESSURE: 4842400 -38.0777 -168.684 -143.784 -248.695 -21.0004 -224.839 -178.183 -220.945 -224.679 PRESSAVG: 4842400 5.08191 -10.0614 45.2762 -10.0615 23.1992 -7.65316 45.2762 -7.65318 2.68618 GPRESSAVG: 4842400 4.25546 -10.7605 43.2511 -8.68216 24.895 -6.29852 47.924 -9.64514 1.91872 TIMING: 4842400 CPU: 15607.5, 0.00311647/step Wall: 15607.5, 0.00311647/step, 0.136432 hours remaining, 236.570312 MB of memory in use. ENERGY: 4842400 4056.1259 20516.8587 14449.5761 243.7053 -203315.9608 2501.0253 0.0000 0.0000 52063.2468 -109485.4226 299.2082 -161548.6694 -109123.0940 299.1159 -116.4027 -94.5857 759100.7019 10.3224 10.3564 PRESSURE: 4842600 -122.852 -177.441 255.349 -177.442 89.4616 75.2908 255.349 75.291 41.8282 GPRESSURE: 4842600 -49.1072 -159.657 237.557 -139.154 71.7492 90.4252 227.01 134.442 72.2243 PRESSAVG: 4842600 33.7063 -20.133 -42.3264 -20.133 0.6311 -1.43854 -42.3263 -1.43848 -9.51402 GPRESSAVG: 4842600 33.5963 -19.0533 -41.4343 -21.3514 -0.064629 -1.62141 -45.336 -0.232453 -8.26587 TIMING: 4842600 CPU: 15608.1, 0.00310318/step Wall: 15608.1, 0.00310318/step, 0.135678 hours remaining, 236.570312 MB of memory in use. ENERGY: 4842600 3826.6597 20553.1310 14483.9913 251.5024 -202709.1323 2364.1724 0.0000 0.0000 51794.9502 -109434.7252 297.6663 -161229.6754 -109076.3712 299.4798 2.8125 31.6221 759841.0830 8.2745 8.4219 PRESSURE: 4842800 -321.496 1.9946 -39.8297 1.99419 -148.783 -120.143 -39.8306 -120.141 -334.798 GPRESSURE: 4842800 -287.289 -6.64561 15.8393 -49.2485 -92.8449 -180.291 -35.8446 -139.098 -345.254 PRESSAVG: 4842800 42.4286 -29.0458 -38.5381 -29.0458 -50.5437 -7.69393 -38.5381 -7.69394 33.2949 GPRESSAVG: 4842800 43.2113 -31.0423 -39.6522 -29.2018 -50.0451 -8.42289 -37.3481 -9.21794 31.9467 TIMING: 4842800 CPU: 15608.8, 0.00310252/step Wall: 15608.8, 0.00310252/step, 0.135477 hours remaining, 236.570312 MB of memory in use. ENERGY: 4842800 4032.1558 20476.5321 14516.8428 241.7865 -202961.6005 2377.1641 0.0000 0.0000 51965.5584 -109351.5609 298.6468 -161317.1194 -109002.0605 299.8407 -268.3591 -241.7960 760613.9274 8.3933 8.3710 PRESSURE: 4843000 178.667 158.675 34.351 158.675 148.944 21.1861 34.3513 21.1867 -168.67 GPRESSURE: 4843000 105.716 29.5366 48.5526 174.406 221.675 29.259 40.0923 72.5559 -95.2317 PRESSAVG: 4843000 11.6904 -30.0332 -44.7236 -30.0333 -29.2856 -27.8587 -44.7236 -27.8587 -16.0056 GPRESSAVG: 4843000 11.2891 -30.6453 -44.5745 -30.1929 -29.761 -26.9176 -44.6464 -26.9159 -15.6891 TIMING: 4843000 CPU: 15609.4, 0.00310408/step Wall: 15609.4, 0.00310408/step, 0.135372 hours remaining, 236.570312 MB of memory in use. ENERGY: 4843000 3975.0555 20366.9545 14507.0858 238.5492 -203278.5097 2646.9964 0.0000 0.0000 52121.2391 -109422.6292 299.5415 -161543.8683 -109050.1202 299.4703 52.9804 77.3863 760590.0127 -11.2003 -11.3870 PRESSURE: 4843200 177.04 113.448 -158.641 113.449 62.7344 31.9344 -158.64 31.9356 6.33517 GPRESSURE: 4843200 168.034 142.652 -175.3 123.311 32.5378 37.6757 -232.993 32.8197 153.312 PRESSAVG: 4843200 23.5084 14.8139 -64.9803 14.8138 -23.1569 -35.3191 -64.9802 -35.3191 10.1766 GPRESSAVG: 4843200 22.7882 15.8871 -63.6478 14.1062 -23.1058 -35.2319 -65.9474 -35.2876 10.9218 TIMING: 4843200 CPU: 15610, 0.00309978/step Wall: 15610, 0.00309978/step, 0.135012 hours remaining, 236.570312 MB of memory in use. ENERGY: 4843200 3973.2073 20446.1638 14509.4857 239.4762 -203344.9223 2604.9854 0.0000 0.0000 51997.2057 -109574.3983 298.8287 -161571.6040 -109212.5984 299.0595 82.0366 117.9613 759154.9635 3.5093 3.5347 PRESSURE: 4843400 -56.2501 -92.019 -23.8322 -92.0182 128.117 77.8354 -23.8327 77.8344 77.8095 GPRESSURE: 4843400 27.7781 -111.016 29.5316 65.2285 212.446 199.049 -65.1465 120.987 -26.3439 PRESSAVG: 4843400 -11.8624 5.68942 -66.0632 5.68938 4.93614 -19.4803 -66.0632 -19.4803 -13.0078 GPRESSAVG: 4843400 -12.7423 6.01253 -66.2102 6.88367 5.58613 -19.2845 -65.4514 -21.5298 -13.189 TIMING: 4843400 CPU: 15610.6, 0.00310885/step Wall: 15610.6, 0.00310885/step, 0.135235 hours remaining, 236.570312 MB of memory in use. ENERGY: 4843400 4022.2053 20474.7835 14501.4308 242.7144 -203655.8917 2542.2959 0.0000 0.0000 52303.6776 -109568.7842 300.5900 -161872.4618 -109199.5079 299.0772 49.8921 71.2934 761174.1833 -6.6447 -6.7817 PRESSURE: 4843600 -251.76 -189.786 82.2792 -189.786 76.3789 -161.596 82.2791 -161.595 -494.96 GPRESSURE: 4843600 -238.766 -250.446 100.267 -57.5534 137.701 -46.9011 28.0781 -213.427 -472.425 PRESSAVG: 4843600 24.3753 -78.7271 6.69583 -78.7271 16.5404 9.70545 6.69589 9.70547 -13.8432 GPRESSAVG: 4843600 25.2898 -78.5598 5.6484 -77.7092 15.7499 10.7524 6.34139 10.8622 -13.4711 TIMING: 4843600 CPU: 15611.2, 0.00310447/step Wall: 15611.2, 0.00310447/step, 0.134872 hours remaining, 236.570312 MB of memory in use. ENERGY: 4843600 4026.5346 20290.5611 14490.1906 253.3476 -203383.2993 2489.2984 0.0000 0.0000 51959.6498 -109873.7172 298.6128 -161833.3670 -109511.2296 298.9519 -223.4468 -191.1635 759288.9276 9.0241 9.1895 PRESSURE: 4843800 -255.967 288.365 47.6687 288.365 -137.242 -81.6072 47.6694 -81.6076 -416.9 GPRESSURE: 4843800 -134.393 209.668 12.4797 162.923 -178.935 -167.901 92.361 -102.161 -388.232 PRESSAVG: 4843800 1.79759 -19.3447 52.7864 -19.3447 -0.107525 -63.5959 52.7864 -63.5959 -0.90984 GPRESSAVG: 4843800 2.17243 -20.3815 53.1812 -19.1509 0.00942634 -65.3903 53.5705 -61.8748 -0.993933 TIMING: 4843800 CPU: 15611.9, 0.00311111/step Wall: 15611.9, 0.00311111/step, 0.134988 hours remaining, 236.570312 MB of memory in use. ENERGY: 4843800 3992.5989 20426.7460 14454.2949 248.0679 -203516.0510 2448.2255 0.0000 0.0000 52005.3199 -109940.7979 298.8753 -161946.1178 -109574.8820 298.1984 -270.0361 -233.8533 761848.6965 0.2601 0.3960 PRESSURE: 4844000 96.9155 244.045 -53.9057 244.045 -24.55 13.1124 -53.9055 13.113 289.185 GPRESSURE: 4844000 66.762 274.105 15.0269 282.97 36.8293 87.6125 -122.398 -36.0796 339.825 PRESSAVG: 4844000 17.6126 20.7713 42.9362 20.7712 -33.4918 -55.789 42.9362 -55.7889 -26.6979 GPRESSAVG: 4844000 17.2768 24.0592 42.2474 17.2192 -33.5228 -53.4651 43.1332 -57.3586 -26.6904 TIMING: 4844000 CPU: 15612.5, 0.00312494/step Wall: 15612.5, 0.00312494/step, 0.135414 hours remaining, 236.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4844000 3976.9273 20424.3577 14467.8860 243.8559 -203624.6025 2689.1244 0.0000 0.0000 51864.2944 -109958.1566 298.0648 -161822.4511 -109600.2939 298.3165 120.5167 147.8053 758986.7559 -14.1923 -14.3121 PRESSURE: 4844200 398.198 -19.8469 166.353 -19.8476 -14.0103 153.091 166.353 153.091 -72.6636 GPRESSURE: 4844200 324.221 43.767 205.637 37.6137 109.274 131.658 83.3941 169.009 -55.7168 PRESSAVG: 4844200 2.40363 1.00425 -12.9417 1.0043 66.7954 -41.2188 -12.9417 -41.2188 3.32776 GPRESSAVG: 4844200 2.18147 -1.21247 -12.0848 3.12874 66.9314 -42.8495 -12.614 -41.0703 3.62577 TIMING: 4844200 CPU: 15613.1, 0.00309782/step Wall: 15613.1, 0.00309782/step, 0.134067 hours remaining, 236.570312 MB of memory in use. ENERGY: 4844200 3933.2278 20451.3825 14449.1209 230.3226 -203645.5962 2784.6792 0.0000 0.0000 51868.5315 -109928.3317 298.0892 -161796.8632 -109572.3263 298.8595 103.8413 125.9260 758206.1300 24.1756 24.2462 LDB: ============= START OF LOAD BALANCING ============== 15625.5 LDB: ============== END OF LOAD BALANCING =============== 15625.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15625.5 LDB: ============= START OF LOAD BALANCING ============== 15625.8 LDB: Largest compute 7075 load 0.034013 is 17.4% of average load 0.195603 LDB: Average compute 0.004364 is 2.2% of average load 0.195603 LDB: TIME 15625.8 LOAD: AVG 0.195603 MAX 0.218271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 15625.8 LOAD: AVG 0.195603 MAX 0.218271 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: TIME 15625.8 LOAD: AVG 0.195603 MAX 0.218271 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: ============== END OF LOAD BALANCING =============== 15625.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15625.9 PRESSURE: 4844400 135.587 46.5781 -25.2775 46.5783 86.9768 212.089 -25.2774 212.089 197.474 GPRESSURE: 4844400 130.357 -12.2398 -56.4667 -62.1403 148.387 211.81 -36.157 88.2505 208.77 PRESSAVG: 4844400 -15.6159 -49.9397 -57.3309 -49.9397 13.8348 -11.7339 -57.3309 -11.7339 16.5295 GPRESSAVG: 4844400 -13.8406 -52.2347 -57.664 -48.957 13.77 -11.3633 -56.8137 -14.2001 15.1372 TIMING: 4844400 CPU: 15613.7, 0.0031709/step Wall: 15613.7, 0.0031709/step, 0.137053 hours remaining, 235.136719 MB of memory in use. ENERGY: 4844400 4000.8787 20409.2409 14518.6812 240.3031 -203339.3912 2403.6523 0.0000 0.0000 51897.8587 -109868.7763 298.2577 -161766.6350 -109509.0205 298.5762 140.0123 162.5047 757082.6470 4.9161 5.0222 PRESSURE: 4844600 133.893 -250.612 -218.484 -250.612 166.938 40.5417 -218.485 40.5415 18.7496 GPRESSURE: 4844600 146.76 -221.573 -256.235 -215.118 163.526 12.2201 -219.053 -55.1683 84.4859 PRESSAVG: 4844600 -36.5185 -37.7474 -47.9778 -37.7473 35.0345 12.834 -47.9778 12.8339 15.6368 GPRESSAVG: 4844600 -37.3143 -35.7012 -47.3283 -37.9015 35.096 12.108 -47.8596 14.4389 16.317 TIMING: 4844600 CPU: 15614.4, 0.00311842/step Wall: 15614.4, 0.00311842/step, 0.134612 hours remaining, 235.136719 MB of memory in use. ENERGY: 4844600 4005.7834 20427.0635 14435.6065 252.5855 -204213.8193 2981.2433 0.0000 0.0000 52079.2916 -110032.2456 299.3004 -162111.5372 -109669.6654 298.1980 106.5270 131.5907 759639.4717 4.7176 4.6995 PRESSURE: 4844800 62.8885 -114.949 -78.0706 -114.949 216.744 -10.9925 -78.0707 -10.9919 -318.501 GPRESSURE: 4844800 176.368 -99.9397 -172.37 -125.6 73.2576 29.632 50.4642 -79.6823 -219.066 PRESSAVG: 4844800 4.9635 -8.19457 2.13527 -8.19454 -40.4176 12.1567 2.13533 12.1567 1.32906 GPRESSAVG: 4844800 4.72396 -8.5271 3.61206 -9.56921 -41.5944 12.3458 -0.0361666 12.3205 2.65503 TIMING: 4844800 CPU: 15615, 0.00311179/step Wall: 15615, 0.00311179/step, 0.134153 hours remaining, 235.136719 MB of memory in use. ENERGY: 4844800 3977.9045 20404.4929 14474.0085 242.9279 -203760.3983 2655.7750 0.0000 0.0000 51872.0779 -110133.2117 298.1095 -162005.2895 -109775.8512 297.9045 -12.9559 10.1867 759927.9666 -11.3750 -11.4051 PRESSURE: 4845000 26.7123 -126.595 -142.851 -126.595 -147.851 -114.813 -142.852 -114.814 487.099 GPRESSURE: 4845000 54.0928 -41.9604 -124.069 -145.896 -19.5444 -128.986 13.8581 -8.11256 450.025 PRESSAVG: 4845000 -9.67896 15.9694 -31.7345 15.9694 35.9794 -9.74516 -31.7344 -9.74517 18.344 GPRESSAVG: 4845000 -10.1256 16.2294 -31.862 15.2601 36.7362 -10.1181 -30.495 -9.83485 17.8945 TIMING: 4845000 CPU: 15615.6, 0.0031214/step Wall: 15615.6, 0.0031214/step, 0.134394 hours remaining, 235.136719 MB of memory in use. ENERGY: 4845000 4011.1946 20498.3576 14470.2939 238.4942 -203840.6044 2696.6729 0.0000 0.0000 51798.9468 -110126.6444 297.6893 -161925.5912 -109764.4771 297.6584 121.9867 161.5244 761305.5337 14.8815 14.8350 PRESSURE: 4845200 176.385 -18.5254 187.186 -18.5243 230.12 -121.136 187.186 -121.134 210.406 GPRESSURE: 4845200 253.344 -96.532 161.213 -85.0129 285.297 -31.7016 316.555 -204.428 158.494 PRESSAVG: 4845200 -12.6165 -1.47244 -21.3597 -1.47244 6.34795 49.8986 -21.3598 49.8985 -2.25313 GPRESSAVG: 4845200 -11.7996 -1.86929 -22.3965 -0.613012 5.46538 49.8153 -21.8058 51.1286 -2.08819 TIMING: 4845200 CPU: 15616.2, 0.00311517/step Wall: 15616.2, 0.00311517/step, 0.133952 hours remaining, 235.539062 MB of memory in use. ENERGY: 4845200 4023.0566 20382.1944 14545.3465 238.9344 -204401.8547 3183.2051 0.0000 0.0000 51891.0165 -110138.1012 298.2184 -162029.1177 -109785.5283 297.7925 205.6373 232.3785 757747.6967 -2.8406 -2.8075 PRESSURE: 4845400 -126.476 -19.0483 148.577 -19.0483 -277.579 200.72 148.578 200.721 -224.982 GPRESSURE: 4845400 -71.1587 23.9803 65.8008 -55.0021 -258.118 233.808 173.695 260.704 -227.642 PRESSAVG: 4845400 6.64367 37.0077 4.36109 37.0077 -21.5567 -13.9973 4.36112 -13.9973 14.8873 GPRESSAVG: 4845400 5.92348 37.1613 2.61193 35.9175 -19.8742 -14.0137 3.58911 -12.9109 14.0344 TIMING: 4845400 CPU: 15616.9, 0.00310874/step Wall: 15616.9, 0.00310874/step, 0.133503 hours remaining, 235.539062 MB of memory in use. ENERGY: 4845400 3954.1879 20376.1418 14567.7954 241.1383 -203144.9081 2151.6571 0.0000 0.0000 51938.5109 -109915.4767 298.4913 -161853.9876 -109555.6534 297.7648 -209.6789 -185.6394 760568.5676 -0.0086 0.0279 PRESSURE: 4845600 -58.7259 180.489 18.0714 180.489 -379.312 -167.218 18.0708 -167.219 -124.776 GPRESSURE: 4845600 -41.4373 130.172 -17.4324 154.4 -291.857 -119.234 20.2703 -104.208 -150.414 PRESSAVG: 4845600 -14.4541 26.6017 38.5316 26.6017 -6.17938 72.715 38.5316 72.715 -23.4456 GPRESSAVG: 4845600 -14.167 27.1979 39.0843 24.3056 -6.1744 73.448 41.159 70.6062 -23.3371 TIMING: 4845600 CPU: 15617.5, 0.00311722/step Wall: 15617.5, 0.00311722/step, 0.133694 hours remaining, 235.539062 MB of memory in use. ENERGY: 4845600 4023.6991 20435.6071 14485.2813 252.8260 -203728.6937 2651.6877 0.0000 0.0000 51945.1317 -109934.4607 298.5294 -161879.5924 -109574.6795 298.1329 -187.6046 -161.2358 761737.2113 -14.6930 -14.5595 PRESSURE: 4845800 -111.811 -71.3227 43.2745 -71.3222 -290.167 118.327 43.2742 118.327 -318.056 GPRESSURE: 4845800 -147.569 -5.79156 50.9324 44.0072 -189.054 29.0573 -18.1323 129.809 -305.456 PRESSAVG: 4845800 43.9062 -17.0115 10.6601 -17.0115 -1.22723 -14.49 10.6601 -14.49 1.33418 GPRESSAVG: 4845800 43.9255 -19.7929 11.8152 -12.975 -2.09467 -16.401 9.46765 -13.6904 2.00565 TIMING: 4845800 CPU: 15618.1, 0.00311536/step Wall: 15618.1, 0.00311536/step, 0.133441 hours remaining, 235.539062 MB of memory in use. ENERGY: 4845800 3996.2973 20402.1253 14473.9357 246.3743 -203375.5149 2404.4991 0.0000 0.0000 51883.9795 -109968.3036 298.1779 -161852.2831 -109594.8499 298.0743 -240.0113 -214.0265 760299.3368 14.6710 14.6122 PRESSURE: 4846000 -136.286 90.4982 -71.6146 90.4985 50.8952 146.376 -71.6145 146.376 267.777 GPRESSURE: 4846000 -28.9415 79.7068 -75.8163 56.6345 31.2354 208.728 -160.509 178.883 256.453 PRESSAVG: 4846000 30.6002 0.781744 -47.98 0.781688 -14.9667 37.4085 -47.9801 37.4086 4.96126 GPRESSAVG: 4846000 32.174 2.20611 -48.1753 1.43047 -15.2134 39.0616 -49.8951 37.7928 3.35037 TIMING: 4846000 CPU: 15618.7, 0.00309728/step Wall: 15618.7, 0.00309728/step, 0.132495 hours remaining, 235.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4846000 4040.7519 20501.2641 14456.5621 276.8346 -203841.4091 2592.7175 0.0000 0.0000 52204.2763 -109769.0026 300.0187 -161973.2790 -109411.5081 298.1142 60.7954 86.2491 759493.0467 6.8649 6.7703 PRESSURE: 4846200 107.882 10.3641 38.2065 10.3636 384.752 -30.5253 38.2072 -30.5247 157.831 GPRESSURE: 4846200 195.48 -21.7313 86.684 51.2271 310.856 -29.1388 -101.46 -81.5721 210.208 PRESSAVG: 4846200 53.4774 9.77237 -50.7216 9.77236 -37.7038 69.7795 -50.7216 69.7796 -11.4913 GPRESSAVG: 4846200 54.2515 12.3902 -51.6053 6.70038 -39.1226 69.4983 -47.9829 69.7617 -10.8792 TIMING: 4846200 CPU: 15619.3, 0.00310556/step Wall: 15619.3, 0.00310556/step, 0.132676 hours remaining, 235.539062 MB of memory in use. ENERGY: 4846200 3996.3291 20558.9540 14465.4964 245.8690 -203846.4852 2824.2149 0.0000 0.0000 52066.2151 -109689.4068 299.2253 -161755.6219 -109329.7421 298.7193 216.8216 238.8479 761400.1403 1.4274 1.4165 PRESSURE: 4846400 175.188 21.814 -84.7254 21.8141 -5.80653 101.549 -84.725 101.55 -71.0472 GPRESSURE: 4846400 189.673 54.7151 -84.5547 -53.4816 95.1237 157.528 65.6597 -45.6991 -98.7156 PRESSAVG: 4846400 20.3474 -34.7244 -84.8254 -34.7245 -7.63164 -23.2304 -84.8254 -23.2305 1.9958 GPRESSAVG: 4846400 18.5049 -37.018 -84.6659 -32.4919 -5.57495 -24.3712 -84.8024 -25.1362 1.73391 TIMING: 4846400 CPU: 15620, 0.00311408/step Wall: 15620, 0.00311408/step, 0.132868 hours remaining, 235.539062 MB of memory in use. ENERGY: 4846400 4013.3523 20372.2575 14501.7603 227.4536 -203645.6289 2758.2720 0.0000 0.0000 52244.5365 -109527.9967 300.2501 -161772.5331 -109169.8352 299.0277 32.7780 62.0271 760701.2501 4.9039 4.8879 PRESSURE: 4846600 159.394 -244.64 -205.962 -244.641 -117.185 82.6406 -205.962 82.6403 -477.61 GPRESSURE: 4846600 204.07 -216.446 -203.383 -158.084 -167.192 109.214 -234.471 154.919 -373.207 PRESSAVG: 4846600 87.7543 -63.2493 -44.1282 -63.2494 -68.2917 1.78807 -44.1281 1.78802 -4.0126 GPRESSAVG: 4846600 87.9616 -60.1398 -45.2486 -64.9296 -69.563 2.13634 -44.651 3.9854 -3.00616 TIMING: 4846600 CPU: 15620.6, 0.00310675/step Wall: 15620.6, 0.00310675/step, 0.132382 hours remaining, 235.539062 MB of memory in use. ENERGY: 4846600 4062.8758 20502.2607 14504.3634 233.5381 -203216.3823 2399.8378 0.0000 0.0000 52074.5952 -109438.9111 299.2734 -161513.5064 -109071.5263 299.3426 -145.1336 -112.1095 761275.3383 5.1500 5.1308 PRESSURE: 4846800 -217.839 100.373 -7.23717 100.371 -145.329 -69.2827 -7.23785 -69.282 -392.44 GPRESSURE: 4846800 -121.636 34.4423 -89.8189 145.471 -197.732 20.8784 5.8776 -67.0152 -339.57 PRESSAVG: 4846800 28.3849 -42.4637 -14.9969 -42.4637 -48.2595 22.2813 -14.997 22.2813 -1.05615 GPRESSAVG: 4846800 28.8652 -44.4215 -13.588 -39.5326 -47.3994 21.7495 -15.8986 22.1274 -1.72729 TIMING: 4846800 CPU: 15621.2, 0.00310277/step Wall: 15621.2, 0.00310277/step, 0.13204 hours remaining, 235.539062 MB of memory in use. ENERGY: 4846800 4094.7764 20404.9969 14507.4312 242.0638 -203095.4501 2216.3601 0.0000 0.0000 52035.5921 -109594.2296 299.0493 -161629.8216 -109227.4311 299.1195 -251.8694 -219.6460 762210.7851 -6.9769 -6.7538 PRESSURE: 4847000 -23.9779 -149.044 -80.0096 -149.044 -196.695 128.579 -80.0095 128.579 371.656 GPRESSURE: 4847000 42.7857 -209.324 9.53867 -138.328 -46.2538 125.815 -112.833 96.37 246.301 PRESSAVG: 4847000 -23.6674 -25.3722 9.40011 -25.3721 36.049 11.6575 9.40019 11.6574 3.43372 GPRESSAVG: 4847000 -24.7323 -23.4428 9.2097 -28.6458 35.2864 13.1234 9.76537 11.6446 5.80126 TIMING: 4847000 CPU: 15621.8, 0.00310787/step Wall: 15621.8, 0.00310787/step, 0.132084 hours remaining, 235.539062 MB of memory in use. ENERGY: 4847000 3973.7837 20545.0241 14514.1979 253.6998 -203808.4825 2790.8258 0.0000 0.0000 52249.3032 -109481.6481 300.2775 -161730.9513 -109114.6255 298.9977 50.3277 80.9442 761141.0018 5.2718 5.4518 PRESSURE: 4847200 -96.4181 87.9376 85.6845 87.9378 -161.449 21.5889 85.6851 21.5907 -162.958 GPRESSURE: 4847200 -89.4399 60.5963 127.254 173.571 -64.0445 -30.8987 127.251 70.9349 -188.208 PRESSAVG: 4847200 2.33272 -27.3441 -43.528 -27.3441 0.0924974 3.33461 -43.528 3.33461 -6.40049 GPRESSAVG: 4847200 2.60417 -31.7555 -42.0592 -26.006 0.852536 3.96231 -43.1991 1.88077 -7.6225 TIMING: 4847200 CPU: 15622.5, 0.00312141/step Wall: 15622.5, 0.00312141/step, 0.132486 hours remaining, 235.539062 MB of memory in use. ENERGY: 4847200 3985.0097 20658.0588 14532.0962 225.6097 -203210.9251 2389.4048 0.0000 0.0000 52081.2356 -109339.5104 299.3116 -161420.7460 -108971.0364 299.5441 -140.2749 -113.8974 761941.9375 -1.3251 -1.3886 PRESSURE: 4847400 133.328 137.14 189.809 137.14 164.615 93.2283 189.81 93.2284 -223.99 GPRESSURE: 4847400 125.88 84.0205 108.212 177.07 241.986 114.318 328.883 -24.6642 -201.902 PRESSAVG: 4847400 34.3408 15.5381 -7.0348 15.5382 -12.5915 48.0655 -7.0348 48.0655 7.06791 GPRESSAVG: 4847400 34.478 17.2989 -8.09209 16.4438 -12.9512 46.6037 -7.98144 49.9009 7.4352 TIMING: 4847400 CPU: 15623.1, 0.00311059/step Wall: 15623.1, 0.00311059/step, 0.131854 hours remaining, 235.539062 MB of memory in use. ENERGY: 4847400 3974.9204 20716.6626 14463.5684 263.8374 -203671.0285 2754.2029 0.0000 0.0000 52112.4588 -109385.3781 299.4910 -161497.8369 -109009.7183 299.4950 24.6512 55.3214 761610.6434 9.6057 9.6540 PRESSURE: 4847600 7.6532 -64.7197 -122.392 -64.7199 -380.839 38.252 -122.393 38.2515 -559.014 GPRESSURE: 4847600 0.00707281 -159.449 -96.8952 5.95201 -293.035 110.412 -60.5383 44.8077 -519.429 PRESSAVG: 4847600 70.141 -16.8269 -27.4496 -16.827 -83.1133 54.3161 -27.4495 54.3161 -26.5371 GPRESSAVG: 4847600 71.1999 -17.3112 -27.9678 -16.2164 -84.158 56.8053 -26.6881 54.3647 -26.0607 TIMING: 4847600 CPU: 15623.7, 0.00310642/step Wall: 15623.7, 0.00310642/step, 0.131505 hours remaining, 235.539062 MB of memory in use. ENERGY: 4847600 4004.2874 20612.6925 14506.1286 231.6807 -203321.2780 2451.0710 0.0000 0.0000 52103.5173 -109411.9004 299.4396 -161515.4177 -109041.8021 299.5859 -310.7331 -270.8189 763166.7477 -13.1698 -13.0063 PRESSURE: 4847800 182.97 -195.038 -260.179 -195.038 -88.9521 189.484 -260.179 189.484 -114.372 GPRESSURE: 4847800 217.64 -236.193 -155.82 -122.887 -38.3704 187.082 -312.64 98.4082 -112.033 PRESSAVG: 4847800 48.9806 -26.8406 -34.2856 -26.8405 -72.4417 32.327 -34.2855 32.327 -12.8678 GPRESSAVG: 4847800 48.2326 -25.7785 -32.8939 -28.5517 -71.9991 30.7781 -32.5374 30.9106 -12.7622 TIMING: 4847800 CPU: 15624.3, 0.00310067/step Wall: 15624.3, 0.00310067/step, 0.13109 hours remaining, 235.539062 MB of memory in use. ENERGY: 4847800 3918.9121 20730.6484 14436.2853 251.9589 -203152.5476 2290.6024 0.0000 0.0000 52074.8827 -109449.2577 299.2751 -161524.1404 -109097.1330 299.2416 -6.7846 22.4122 759746.5302 -12.1096 -12.1762 PRESSURE: 4848000 -12.5855 -29.1545 19.2314 -29.154 80.2343 -14.7088 19.2316 -14.7088 262.68 GPRESSURE: 4848000 -17.447 -66.3456 76.5647 -78.9511 90.0423 -28.3231 -60.2557 -67.3839 357.138 PRESSAVG: 4848000 26.2937 -9.7197 -39.1105 -9.71973 -14.0449 13.9359 -39.1106 13.9359 15.4309 GPRESSAVG: 4848000 27.417 -10.9293 -41.1465 -8.82977 -15.2787 13.3206 -40.5159 14.3739 15.1719 TIMING: 4848000 CPU: 15624.9, 0.00311868/step Wall: 15624.9, 0.00311868/step, 0.131677 hours remaining, 235.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4848000 3950.7780 20694.2731 14452.7583 238.2863 -203302.4781 2376.0958 0.0000 0.0000 52171.0300 -109419.2567 299.8276 -161590.2866 -109061.0859 299.4410 110.1097 143.2443 760275.8368 9.2266 9.1034 PRESSURE: 4848200 72.8112 -17.8013 10.876 -17.8021 -80.3384 214.925 10.8758 214.927 -228.029 GPRESSURE: 4848200 140.09 -201.677 -16.2608 48.03 -157.103 282.102 191.006 255.708 -155.938 PRESSAVG: 4848200 42.6534 -26.6696 -25.3229 -26.6696 -4.00117 56.6979 -25.3229 56.698 -6.44481 GPRESSAVG: 4848200 42.1774 -25.8247 -25.5357 -27.4005 -2.67152 57.6313 -22.8286 56.1268 -6.99007 TIMING: 4848200 CPU: 15625.6, 0.0031076/step Wall: 15625.6, 0.0031076/step, 0.131037 hours remaining, 235.539062 MB of memory in use. ENERGY: 4848200 4019.8778 20788.2499 14492.7675 249.2181 -203370.0924 2457.4003 0.0000 0.0000 52034.4826 -109328.0962 299.0429 -161362.5788 -108975.9468 299.8110 -78.5187 -57.6505 759906.5714 10.7358 10.8386 LDB: ============= START OF LOAD BALANCING ============== 15638 LDB: ============== END OF LOAD BALANCING =============== 15638 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15638 LDB: ============= START OF LOAD BALANCING ============== 15638.3 LDB: Largest compute 7075 load 0.034779 is 17.8% of average load 0.195559 LDB: Average compute 0.004373 is 2.2% of average load 0.195559 LDB: TIME 15638.3 LOAD: AVG 0.195559 MAX 0.219533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.086 MB LDB: TIME 15638.3 LOAD: AVG 0.195559 MAX 0.219533 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 15638.3 LOAD: AVG 0.195559 MAX 0.217785 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 15638.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15638.3 PRESSURE: 4848400 -177.454 -120.514 -192.196 -120.514 30.0552 113.829 -192.196 113.83 260.502 GPRESSURE: 4848400 -109.785 -150.517 -213.152 -87.2571 35.3403 92.0535 -157.582 194.495 287.427 PRESSAVG: 4848400 41.5904 -58.6708 39.5942 -58.6708 -38.9862 9.89586 39.5942 9.89583 -17.504 GPRESSAVG: 4848400 41.6189 -58.007 41.2044 -59.9117 -39.0804 8.75241 35.9407 10.7593 -17.3811 TIMING: 4848400 CPU: 15626.2, 0.0031855/step Wall: 15626.2, 0.0031855/step, 0.134145 hours remaining, 233.402344 MB of memory in use. ENERGY: 4848400 3896.2176 20782.9016 14508.7213 249.5516 -203315.5263 2244.0738 0.0000 0.0000 52375.1043 -109258.9562 301.0004 -161634.0605 -108893.0088 300.0342 37.7009 70.9941 759250.8660 -4.9666 -4.9475 PRESSURE: 4848600 -194.968 24.6352 -8.10889 24.6355 265.938 129.025 -8.10865 129.026 -227.164 GPRESSURE: 4848600 -149.019 96.5776 10.7836 38.0809 261.358 172.52 11.7069 154.858 -171.348 PRESSAVG: 4848600 -5.55783 10.8299 -32.3401 10.8299 -10.4561 73.6773 -32.3401 73.6773 2.72145 GPRESSAVG: 4848600 -5.85324 11.362 -32.9525 10.8522 -10.4409 73.8469 -31.5576 72.9601 3.20935 TIMING: 4848600 CPU: 15626.8, 0.00310851/step Wall: 15626.8, 0.00310851/step, 0.13073 hours remaining, 233.601562 MB of memory in use. ENERGY: 4848600 4077.7174 20516.0741 14484.8253 231.3677 -203080.0392 2368.5051 0.0000 0.0000 51950.4410 -109451.1087 298.5599 -161401.5496 -109092.6657 299.6908 -52.0647 -19.6701 760665.7293 -4.4308 -4.3616 PRESSURE: 4848800 -399.175 214.753 66.6247 214.752 -243.939 25.6128 66.6254 25.6123 46.2824 GPRESSURE: 4848800 -281.439 297.78 -44.9278 146.825 -186.4 80.3422 110.392 23.0664 -42.4345 PRESSAVG: 4848800 -24.1263 -16.7838 -20.0834 -16.7838 41.0075 29.9532 -20.0835 29.9532 -17.8469 GPRESSAVG: 4848800 -24.044 -15.9102 -21.5328 -17.2318 39.8252 30.637 -20.1578 33.7724 -17.5582 TIMING: 4848800 CPU: 15627.4, 0.00311174/step Wall: 15627.4, 0.00311174/step, 0.130693 hours remaining, 233.601562 MB of memory in use. ENERGY: 4848800 3976.8531 20820.7118 14447.5982 241.2280 -202829.6997 2025.4070 0.0000 0.0000 52001.2820 -109316.6196 298.8521 -161317.9015 -108939.5267 299.8418 -198.9437 -170.0912 761916.8658 -0.3219 -0.5924 PRESSURE: 4849000 -211.471 -175.574 -110.294 -175.575 -300.03 -45.5259 -110.294 -45.526 -231.129 GPRESSURE: 4849000 -63.5365 -192.507 -51.7577 -232.135 -374.819 -40.2886 -217.314 4.1202 -205.821 PRESSAVG: 4849000 16.175 -56.1474 -51.5906 -56.1475 28.1816 12.2917 -51.5906 12.2918 -20.667 GPRESSAVG: 4849000 16.0066 -57.3032 -51.787 -54.0339 28.1978 11.7143 -51.5476 10.3211 -20.791 TIMING: 4849000 CPU: 15628.1, 0.00309887/step Wall: 15628.1, 0.00309887/step, 0.129981 hours remaining, 233.601562 MB of memory in use. ENERGY: 4849000 4037.4138 20625.2998 14455.4331 238.1897 -202772.1786 2203.4895 0.0000 0.0000 51846.6540 -109365.6988 297.9634 -161212.3528 -108997.6277 299.7333 -247.5435 -214.7256 762857.5510 7.8966 7.8045 PRESSURE: 4849200 64.6397 -35.193 316.782 -35.1936 406.14 110.657 316.782 110.656 157.812 GPRESSURE: 4849200 168.202 -7.65741 281.408 -80.6289 407.295 109.929 224.815 131.016 142.121 PRESSAVG: 4849200 58.4308 -45.3117 -41.0631 -45.3117 -50.5242 -24.337 -41.0631 -24.337 22.5625 GPRESSAVG: 4849200 57.1352 -46.2715 -40.593 -45.7692 -49.6218 -24.2985 -39.0716 -25.0725 22.4834 TIMING: 4849200 CPU: 15628.7, 0.00310474/step Wall: 15628.7, 0.00310474/step, 0.130054 hours remaining, 233.601562 MB of memory in use. ENERGY: 4849200 4020.5774 20750.8765 14427.6038 247.2313 -203382.9674 2755.9522 0.0000 0.0000 51987.9589 -109192.7674 298.7755 -161180.7263 -108828.0697 299.7962 209.5306 239.2060 759083.4336 10.1564 9.9989 PRESSURE: 4849400 -225.555 5.0276 -134.073 5.02658 -50.7848 -149.96 -134.073 -149.961 -228.416 GPRESSURE: 4849400 -125.854 15.7668 -157.819 -135.046 -41.5031 -186.281 -103.687 -211.207 -256.273 PRESSAVG: 4849400 18.3488 -84.6839 -40.8634 -84.6839 -2.70309 38.297 -40.8635 38.2969 29.5789 GPRESSAVG: 4849400 18.3086 -85.0142 -40.0752 -86.2146 -2.57812 39.0553 -41.3269 37.9458 29.6816 TIMING: 4849400 CPU: 15629.3, 0.00310802/step Wall: 15629.3, 0.00310802/step, 0.130019 hours remaining, 233.601562 MB of memory in use. ENERGY: 4849400 4003.8824 20614.7861 14469.6697 254.0419 -203746.8916 2710.5171 0.0000 0.0000 52262.0414 -109431.9529 300.3507 -161693.9943 -109066.2365 300.0131 -168.2519 -141.2101 761901.1417 15.0749 15.1374 PRESSURE: 4849600 153.578 53.595 -18.4508 53.5947 -243.896 35.3532 -18.4512 35.3533 -198.438 GPRESSURE: 4849600 217.732 82.5401 5.33502 78.1723 -206.671 33.9729 -99.4282 163.213 -214.591 PRESSAVG: 4849600 -0.427785 -46.4596 -60.0613 -46.4597 -1.96532 23.6918 -60.0613 23.6918 -2.51706 GPRESSAVG: 4849600 -0.0453416 -46.1901 -59.9279 -45.074 -2.73409 24.193 -60.15 24.4054 -2.29601 TIMING: 4849600 CPU: 15629.9, 0.00310585/step Wall: 15629.9, 0.00310585/step, 0.129755 hours remaining, 233.601562 MB of memory in use. ENERGY: 4849600 4037.2679 20637.1841 14401.9342 236.8042 -204013.0417 2842.1006 0.0000 0.0000 52353.6563 -109504.0944 300.8772 -161857.7507 -109144.5690 299.5202 -96.2520 -67.8434 761542.7989 -1.6367 -1.6918 PRESSURE: 4849800 14.7721 -126.867 165.845 -126.866 41.2554 -79.3868 165.845 -79.3867 107.03 GPRESSURE: 4849800 75.2876 -66.4327 72.8292 -245.805 110.271 -126.269 99.9341 -150.183 58.4451 PRESSAVG: 4849800 5.72603 -7.87522 -56.5039 -7.87524 -18.0737 26.7361 -56.5038 26.7361 -5.48233 GPRESSAVG: 4849800 6.90456 -7.99243 -56.643 -7.12392 -18.8728 26.8378 -56.5712 25.9833 -6.24969 TIMING: 4849800 CPU: 15630.6, 0.00312724/step Wall: 15630.6, 0.00312724/step, 0.130475 hours remaining, 233.601562 MB of memory in use. ENERGY: 4849800 3894.2298 20703.1888 14511.8223 253.6603 -203708.7295 2459.7974 0.0000 0.0000 52088.9427 -109797.0882 299.3559 -161886.0309 -109431.6213 299.4207 54.3524 81.3347 760194.0725 -5.9433 -6.0726 PRESSURE: 4850000 504.4 178.722 158.72 178.723 -99.2709 17.9642 158.72 17.965 36.2889 GPRESSURE: 4850000 520.093 162.898 219.177 84.2583 -32.5766 101.766 92.5371 -64.2053 47.1556 PRESSAVG: 4850000 0.222447 -16.742 18.8189 -16.742 -3.20851 -9.29653 18.819 -9.29657 28.9964 GPRESSAVG: 4850000 -1.00687 -15.5158 19.2653 -18.4716 -2.02819 -10.3357 16.8726 -8.77152 28.6762 TIMING: 4850000 CPU: 15631.2, 0.00314032/step Wall: 15631.2, 0.00314032/step, 0.130847 hours remaining, 233.601562 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: 4850000 4002.3179 20696.0175 14443.4229 256.9483 -203525.8816 2609.2722 0.0000 0.0000 51959.4490 -109558.4538 298.6117 -161517.9028 -109198.1884 298.9159 147.1394 178.2241 760779.6906 8.6701 8.5470 PRESSURE: 4850200 16.8597 -389.938 -267.296 -389.938 -169.09 85.0714 -267.296 85.071 204.459 GPRESSURE: 4850200 9.57952 -220.37 -246.907 -320.451 -71.8355 66.1012 -287.868 80.2729 189.685 PRESSAVG: 4850200 34.1586 13.6768 -32.4815 13.6767 -43.4291 23.3671 -32.4815 23.367 18.2611 GPRESSAVG: 4850200 33.6773 12.2113 -31.6423 16.1415 -43.4245 23.0705 -31.3441 24.3255 18.3651 TIMING: 4850200 CPU: 15631.8, 0.00314446/step Wall: 15631.8, 0.00314446/step, 0.130844 hours remaining, 233.601562 MB of memory in use. ENERGY: 4850200 3956.2958 20451.6193 14433.3537 227.1335 -203278.4151 2436.7953 0.0000 0.0000 52101.2064 -109672.0111 299.4263 -161773.2175 -109315.2069 299.2847 17.4095 42.4764 758925.2773 2.9969 2.8726 PRESSURE: 4850400 -340.544 245.796 0.328713 245.795 -227.405 -3.10679 0.328842 -3.10629 28.9394 GPRESSURE: 4850400 -353.717 236.867 -40.7359 105.656 -130.724 -150.595 -36.5577 101.956 19.8878 PRESSAVG: 4850400 33.0788 -27.6203 -36.6359 -27.6203 -41.6885 -10.7885 -36.6359 -10.7885 16.2444 GPRESSAVG: 4850400 33.9464 -26.5865 -37.6974 -31.5 -43.1547 -9.7057 -40.7499 -11.4239 16.555 TIMING: 4850400 CPU: 15632.4, 0.00311333/step Wall: 15632.4, 0.00311333/step, 0.129376 hours remaining, 233.601562 MB of memory in use. ENERGY: 4850400 3946.9253 20551.2771 14525.8863 273.3461 -203603.9898 2644.9153 0.0000 0.0000 52067.1161 -109594.5236 299.2304 -161661.6397 -109229.4796 298.9794 -179.6698 -154.8512 761763.8165 2.5449 2.4489 PRESSURE: 4850600 15.3773 -22.1589 -116.615 -22.159 -232.693 -230.782 -116.615 -230.782 512.611 GPRESSURE: 4850600 39.771 -124.588 -47.5863 17.346 -130.338 -223.309 -112.312 -292.077 480.452 PRESSAVG: 4850600 -0.959339 -47.3249 19.1551 -47.3249 28.2707 -34.3391 19.1551 -34.3391 -6.06445 GPRESSAVG: 4850600 -1.64618 -48.007 20.2771 -45.0579 29.0902 -36.3106 22.6634 -34.3373 -5.80838 TIMING: 4850600 CPU: 15633.1, 0.00310303/step Wall: 15633.1, 0.00310303/step, 0.128776 hours remaining, 233.601562 MB of memory in use. ENERGY: 4850600 3952.8116 20546.3300 14431.3637 241.4570 -203371.2937 2534.9632 0.0000 0.0000 52109.4702 -109554.8979 299.4738 -161664.3682 -109189.5542 299.1056 98.4318 129.9616 760798.6255 7.0823 7.2119 PRESSURE: 4850800 -11.2245 23.2238 144.45 23.2242 286.605 52.9048 144.451 52.9052 31.1189 GPRESSURE: 4850800 -6.0322 115.777 132.826 -15.1043 257.467 145.49 59.0191 -53.3187 139.565 PRESSAVG: 4850800 13.107 -20.0497 -9.42744 -20.0497 36.7885 -23.4973 -9.42746 -23.4973 -28.1137 GPRESSAVG: 4850800 11.9468 -19.6284 -11.057 -19.4895 36.9604 -22.8955 -11.8216 -24.0603 -27.3584 TIMING: 4850800 CPU: 15633.7, 0.00309878/step Wall: 15633.7, 0.00309878/step, 0.128427 hours remaining, 233.601562 MB of memory in use. ENERGY: 4850800 4040.5261 20613.2402 14445.1555 261.0813 -203524.5277 2733.8722 0.0000 0.0000 52020.0354 -109410.6170 298.9599 -161430.6525 -109055.7244 299.4794 102.1664 130.3333 759428.9119 7.2606 7.1830 PRESSURE: 4851000 -287.021 -193.198 -234.242 -193.199 -361.577 146.493 -234.242 146.493 81.6366 GPRESSURE: 4851000 -232.971 -191.159 -133.325 -168.788 -272.017 197.333 -322.115 13.1872 18.7988 PRESSAVG: 4851000 -4.77535 -18.101 -4.45755 -18.101 -17.1555 -38.9148 -4.45763 -38.9148 -34.3982 GPRESSAVG: 4851000 -3.95583 -19.043 -3.9725 -18.4248 -16.9938 -36.8578 -0.698376 -39.2019 -35.5419 TIMING: 4851000 CPU: 15634.3, 0.00311056/step Wall: 15634.3, 0.00311056/step, 0.128742 hours remaining, 233.601562 MB of memory in use. ENERGY: 4851000 4007.8658 20657.9601 14407.9739 245.9543 -203359.6702 2458.4342 0.0000 0.0000 52214.9218 -109366.5601 300.0799 -161581.4820 -109007.1253 299.8870 -188.9872 -162.0632 760633.7193 -18.7764 -18.8305 PRESSURE: 4851200 277.624 28.0397 26.5469 28.0395 -167.497 -272.068 26.5482 -272.068 73.8991 GPRESSURE: 4851200 319.685 95.4182 14.2005 -79.4624 -82.9541 -316.92 124.736 -282.789 52.2277 PRESSAVG: 4851200 58.2854 7.66213 -72.8721 7.66217 -30.5362 -16.4023 -72.872 -16.4023 15.7503 GPRESSAVG: 4851200 58.6954 9.04307 -72.9844 6.47356 -29.7734 -18.087 -74.4295 -18.2438 15.4248 TIMING: 4851200 CPU: 15634.9, 0.00309512/step Wall: 15634.9, 0.00309512/step, 0.127932 hours remaining, 233.601562 MB of memory in use. ENERGY: 4851200 3984.5262 20605.7855 14485.2261 262.8848 -203548.6827 2803.7708 0.0000 0.0000 52123.0933 -109283.3961 299.5521 -161406.4893 -108927.7151 299.6343 61.3421 96.3195 760023.6828 14.4998 14.7823 PRESSURE: 4851400 -366.342 54.1069 -226.427 54.1069 1.12299 -158.001 -226.426 -158.001 80.9271 GPRESSURE: 4851400 -287.899 70.5302 -187.056 -42.6518 -16.5478 -66.4608 -154.591 -189.37 112.272 PRESSAVG: 4851400 9.21331 -1.14613 -8.45074 -1.14609 -34.1109 -45.557 -8.45078 -45.5569 18.2015 GPRESSAVG: 4851400 9.63124 -1.4355 -7.25992 0.983619 -36.4451 -45.1702 -8.2734 -42.787 19.2875 TIMING: 4851400 CPU: 15635.5, 0.00309686/step Wall: 15635.5, 0.00309686/step, 0.127832 hours remaining, 233.601562 MB of memory in use. ENERGY: 4851400 3996.3578 20480.0613 14459.4099 236.0151 -203166.0361 2484.2444 0.0000 0.0000 52589.4332 -108920.5142 302.2322 -161509.9475 -108544.6375 300.5052 -94.7641 -64.0582 760442.9918 -2.2320 -2.5088 PRESSURE: 4851600 27.1388 97.087 -43.9673 97.0874 185.987 211.529 -43.9673 211.529 34.9636 GPRESSURE: 4851600 71.8002 161.997 -59.0374 61.2056 257.314 281.763 44.7579 157.378 9.55953 PRESSAVG: 4851600 -6.7876 -39.2597 -34.9405 -39.2598 25.4826 15.3829 -34.9404 15.3829 -7.04711 GPRESSAVG: 4851600 -7.45069 -38.7723 -35.6337 -41.1976 26.5384 15.7929 -34.3654 15.4222 -7.10787 TIMING: 4851600 CPU: 15636.2, 0.0031/step Wall: 15636.2, 0.0031/step, 0.127789 hours remaining, 233.601562 MB of memory in use. ENERGY: 4851600 3927.7823 20620.2806 14525.0243 255.0572 -203444.5666 2968.3926 0.0000 0.0000 52173.9093 -108974.1204 299.8442 -161148.0297 -108616.5010 300.4187 82.6966 112.8912 760471.0115 3.8826 3.9933 PRESSURE: 4851800 251.154 -187.865 8.71722 -187.865 82.9652 143.795 8.71825 143.795 225.836 GPRESSURE: 4851800 306.173 -215.547 -17.8867 -145.396 125.339 120.591 -108.884 275.717 229.355 PRESSAVG: 4851800 11.1588 17.4934 -13.3415 17.4935 -16.9687 16.0079 -13.3415 16.0078 -9.72559 GPRESSAVG: 4851800 9.80378 17.6621 -13.0034 17.9746 -15.2589 14.6862 -15.3069 15.2897 -9.80123 TIMING: 4851800 CPU: 15636.8, 0.00310445/step Wall: 15636.8, 0.00310445/step, 0.1278 hours remaining, 233.601562 MB of memory in use. ENERGY: 4851800 3992.1404 20448.6543 14500.0594 250.4089 -203050.4678 2732.0681 0.0000 0.0000 52207.0414 -108920.0953 300.0346 -161127.1367 -108550.5016 299.8141 186.6517 220.2887 761138.5714 -5.1785 -5.0855 PRESSURE: 4852000 -144.868 -151.044 100.552 -151.043 -160.245 -224.191 100.553 -224.192 41.4866 GPRESSURE: 4852000 -99.4746 -211.888 135.163 -106.313 -151.453 -153.013 65.2908 -416.908 82.0547 PRESSAVG: 4852000 37.8283 -5.90947 -25.2789 -5.90946 11.4442 9.46897 -25.2788 9.469 -8.21834 GPRESSAVG: 4852000 40.5186 -6.60494 -25.8632 -4.71629 9.26329 10.4369 -24.5392 10.3772 -8.89515 TIMING: 4852000 CPU: 15637.4, 0.00309841/step Wall: 15637.4, 0.00309841/step, 0.127379 hours remaining, 233.601562 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: 4852000 3980.8439 20459.7822 14477.2130 251.4175 -203006.0394 2577.3570 0.0000 0.0000 52244.2519 -109015.1739 300.2484 -161259.4258 -108654.2632 300.3285 -87.8758 -56.2911 762005.3178 13.6847 13.6289 PRESSURE: 4852200 101.271 63.6879 -151.275 63.6878 312.665 -142.963 -151.275 -142.963 -9.33436 GPRESSURE: 4852200 130.972 34.2182 -161.41 95.7049 359.154 -187.764 -10.614 -329.266 -19.7621 PRESSAVG: 4852200 31.3458 -58.7117 2.53789 -58.7118 -19.6973 18.1328 2.53788 18.1329 -13.399 GPRESSAVG: 4852200 29.0557 -58.1505 1.9171 -59.047 -18.1285 17.7511 3.65849 16.4016 -12.8339 TIMING: 4852200 CPU: 15638, 0.00310939/step Wall: 15638, 0.00310939/step, 0.127658 hours remaining, 233.601562 MB of memory in use. ENERGY: 4852200 3993.1173 20406.0422 14498.8195 251.0833 -202838.9215 2529.5966 0.0000 0.0000 52113.0082 -109047.2545 299.4942 -161160.2626 -108675.6919 299.8284 134.8675 156.7878 761889.5932 -0.5835 -0.6356 LDB: ============= START OF LOAD BALANCING ============== 15650.4 LDB: ============== END OF LOAD BALANCING =============== 15650.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15650.4 LDB: ============= START OF LOAD BALANCING ============== 15650.8 LDB: Largest compute 7075 load 0.032022 is 16.4% of average load 0.195586 LDB: Average compute 0.004374 is 2.2% of average load 0.195586 LDB: TIME 15650.8 LOAD: AVG 0.195586 MAX 0.221377 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.406 MB LDB: TIME 15650.8 LOAD: AVG 0.195586 MAX 0.221377 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.613 MB LDB: TIME 15650.8 LOAD: AVG 0.195586 MAX 0.214366 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.613 MB LDB: ============== END OF LOAD BALANCING =============== 15650.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15650.8 PRESSURE: 4852400 45.8389 -107.423 31.5241 -107.424 21.573 5.15961 31.5245 5.15915 323.489 GPRESSURE: 4852400 95.7117 -90.6966 67.6592 -144.216 72.3252 133.386 33.0056 -107.414 307.546 PRESSAVG: 4852400 35.086 4.8507 2.14219 4.85071 -24.1967 -66.9372 2.14216 -66.9372 -13.496 GPRESSAVG: 4852400 35.3379 4.94403 3.31726 4.883 -25.0775 -65.0232 3.24309 -67.6485 -13.0765 TIMING: 4852400 CPU: 15638.7, 0.0031998/step Wall: 15638.7, 0.0031998/step, 0.131192 hours remaining, 235.394531 MB of memory in use. ENERGY: 4852400 3998.3195 20488.9251 14424.4803 231.5678 -203000.2367 2660.0620 0.0000 0.0000 52228.5417 -108968.3403 300.1581 -161196.8820 -108602.6481 300.0476 130.3002 158.5278 761759.1598 -0.8689 -0.9387 PRESSURE: 4852600 -327.393 -27.8901 -348.658 -27.8916 -14.2716 -141.061 -348.658 -141.061 -179.342 GPRESSURE: 4852600 -280.198 42.1184 -336.699 -46.6505 -8.66248 -56.3153 -363.585 -142.505 -135.24 PRESSAVG: 4852600 -17.8729 -43.1737 -53.6534 -43.1737 15.8347 -26.5124 -53.6534 -26.5124 35.1292 GPRESSAVG: 4852600 -18.2386 -42.0848 -52.7199 -43.3467 16.6095 -27.65 -57.579 -25.5722 34.9804 TIMING: 4852600 CPU: 15639.3, 0.00311911/step Wall: 15639.3, 0.00311911/step, 0.12771 hours remaining, 235.394531 MB of memory in use. ENERGY: 4852600 4025.2964 20658.2679 14490.6351 248.2058 -202986.6007 2309.3947 0.0000 0.0000 52343.8543 -108910.9464 300.8209 -161254.8007 -108547.5746 300.4093 -173.6688 -141.3670 760862.8991 11.0303 11.1171 PRESSURE: 4852800 -99.6424 -143.817 -78.9209 -143.818 -8.29165 -106.333 -78.9214 -106.331 4.42227 GPRESSURE: 4852800 42.0119 -161.541 -105.872 -101.282 -47.1545 -63.9379 19.8511 -79.1126 -23.6986 PRESSAVG: 4852800 -9.52988 -77.1534 -13.8536 -77.1534 -23.5127 34.1764 -13.8537 34.1764 -24.7999 GPRESSAVG: 4852800 -7.77212 -78.0809 -15.3691 -75.3061 -24.9052 32.7125 -9.35973 36.941 -25.1607 TIMING: 4852800 CPU: 15639.9, 0.00311851/step Wall: 15639.9, 0.00311851/step, 0.127512 hours remaining, 235.394531 MB of memory in use. ENERGY: 4852800 4024.3917 20538.4266 14450.8383 241.6743 -202890.3264 2430.8131 0.0000 0.0000 52385.1822 -108819.0003 301.0584 -161204.1824 -108456.0806 300.2563 -34.5039 -9.6137 761829.4260 -19.2808 -19.2793 PRESSURE: 4853000 -210.713 138.655 46.9633 138.655 -36.5216 -244.259 46.9629 -244.26 -398.671 GPRESSURE: 4853000 -158.695 61.1066 5.64384 125.211 6.13245 -297.014 62.779 -299.222 -400.584 PRESSAVG: 4853000 -45.1913 -6.78741 -29.0776 -6.78735 31.5764 -10.3705 -29.0776 -10.3705 -1.58651 GPRESSAVG: 4853000 -45.765 -6.50276 -27.9351 -8.58091 32.2475 -9.59725 -31.3851 -10.6605 -1.29605 TIMING: 4853000 CPU: 15640.5, 0.00313824/step Wall: 15640.5, 0.00313824/step, 0.128145 hours remaining, 235.652344 MB of memory in use. ENERGY: 4853000 4016.2780 20589.7119 14498.3648 231.2637 -203312.8166 2384.4796 0.0000 0.0000 52726.4217 -108866.2969 303.0195 -161592.7186 -108489.3240 300.9257 -215.3019 -184.3823 760476.0593 -5.0672 -4.9378 PRESSURE: 4853200 -11.8437 103.584 4.64399 103.584 -374.796 -139.619 4.64405 -139.619 200.594 GPRESSURE: 4853200 -27.3755 22.4625 -29.0235 -1.88928 -285.14 -174.659 -6.21395 -94.0833 215.199 PRESSAVG: 4853200 17.6379 -16.187 33.9172 -16.187 -2.6434 18.2219 33.9172 18.2219 0.677011 GPRESSAVG: 4853200 17.0437 -16.9379 34.081 -15.6957 -0.855962 19.5596 32.9089 15.919 -0.419903 TIMING: 4853200 CPU: 15641.2, 0.00310485/step Wall: 15641.2, 0.00310485/step, 0.126609 hours remaining, 235.652344 MB of memory in use. ENERGY: 4853200 4024.3899 20610.5779 14457.2950 246.5635 -202781.0941 2259.2271 0.0000 0.0000 52255.5914 -108927.4493 300.3136 -161183.0406 -108564.2294 301.1492 -62.0152 -32.4389 760327.9424 5.2238 5.2560 PRESSURE: 4853400 84.5473 -58.2573 -212.512 -58.257 -314.675 -189.89 -212.512 -189.888 -141.174 GPRESSURE: 4853400 127.755 -181.804 -213.674 -0.456021 -293.206 -189.991 -338.331 -70.2742 -126.839 PRESSAVG: 4853400 -9.39677 34.2758 -40.415 34.2757 -30.2577 32.0565 -40.415 32.0566 5.73775 GPRESSAVG: 4853400 -9.77514 34.5293 -41.1385 34.6904 -31.5562 30.5928 -42.1756 33.5567 7.09714 TIMING: 4853400 CPU: 15641.8, 0.00310502/step Wall: 15641.8, 0.00310502/step, 0.126443 hours remaining, 235.652344 MB of memory in use. ENERGY: 4853400 4016.3231 20531.9636 14473.3075 261.1460 -203217.0192 2485.3561 0.0000 0.0000 52315.0812 -109133.8417 300.6555 -161448.9230 -108765.6065 300.6425 -123.7671 -97.4304 761350.6978 -11.3056 -11.4114 PRESSURE: 4853600 -60.0549 -18.6622 70.1189 -18.6621 -115.753 67.6244 70.1184 67.6248 -97.5061 GPRESSURE: 4853600 32.3887 -35.623 45.3645 -126.627 -182.609 44.894 94.2628 -76.269 -21.6952 PRESSAVG: 4853600 48.9686 26.8375 -36.3012 26.8374 -27.7913 -17.3961 -36.3012 -17.3961 22.0316 GPRESSAVG: 4853600 50.6975 25.131 -36.3625 26.9325 -28.8901 -16.8345 -33.8483 -19.156 21.2922 TIMING: 4853600 CPU: 15642.4, 0.00311914/step Wall: 15642.4, 0.00311914/step, 0.126845 hours remaining, 235.652344 MB of memory in use. ENERGY: 4853600 4058.1835 20505.4479 14498.4101 239.8934 -203035.1218 2473.1200 0.0000 0.0000 52082.4494 -109177.6174 299.3186 -161260.0669 -108813.8627 300.1708 -91.1046 -57.3053 761438.5915 14.4030 14.3665 PRESSURE: 4853800 -307.721 112.829 -142.126 112.829 -16.1955 293.317 -142.126 293.317 -349.931 GPRESSURE: 4853800 -313.134 127.294 -96.9306 219.951 16.0095 238.44 -101.659 162.06 -313.556 PRESSAVG: 4853800 -22.4944 28.5935 -12.6332 28.5934 32.3457 -0.041679 -12.6331 -0.041732 -12.8626 GPRESSAVG: 4853800 -22.331 32.5152 -12.92 29.3349 30.6185 -0.648707 -12.411 3.2859 -11.7647 TIMING: 4853800 CPU: 15643, 0.00310424/step Wall: 15643, 0.00310424/step, 0.126067 hours remaining, 235.652344 MB of memory in use. ENERGY: 4853800 3954.2310 20504.9877 14409.9374 249.8364 -203264.9007 2626.2588 0.0000 0.0000 52077.7595 -109441.8898 299.2916 -161519.6493 -109083.7308 299.5505 -224.6159 -203.5602 761072.1951 -1.0038 -1.1591 PRESSURE: 4854000 119.961 -223.548 -85.1157 -223.547 -21.7078 -54.6201 -85.1155 -54.6191 450.242 GPRESSURE: 4854000 201.412 -142.083 -47.5723 -232.605 12.2208 -9.83482 -46.1896 -191.459 442.249 PRESSAVG: 4854000 -15.8992 16.6809 -20.3785 16.6809 -22.7752 60.7724 -20.3786 60.7724 28.2016 GPRESSAVG: 4854000 -16.5186 16.3852 -19.9066 15.918 -21.5744 61.5627 -21.4867 58.1334 27.6948 TIMING: 4854000 CPU: 15643.6, 0.00311074/step Wall: 15643.6, 0.00311074/step, 0.126158 hours remaining, 235.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4854000 3998.1572 20513.9492 14512.4793 250.4826 -203708.6556 2869.7251 0.0000 0.0000 52111.8801 -109451.9821 299.4877 -161563.8623 -109096.4351 299.6304 182.8318 218.6274 760114.9443 -3.4909 -3.4661 PRESSURE: 4854200 244.396 -108.538 -48.9839 -108.539 -148.802 -182.519 -48.9841 -182.519 141.283 GPRESSURE: 4854200 260.977 -142.601 -52.1845 -44.0905 -70.8879 -143.581 160.641 -140.41 141.602 PRESSAVG: 4854200 15.2757 -74.7314 33.2015 -74.7313 -18.8145 -13.623 33.2015 -13.623 2.12295 GPRESSAVG: 4854200 15.395 -76.2186 34.3795 -74.0934 -18.4038 -15.4609 33.8735 -11.0385 1.83106 TIMING: 4854200 CPU: 15644.3, 0.00312286/step Wall: 15644.3, 0.00312286/step, 0.126476 hours remaining, 235.652344 MB of memory in use. ENERGY: 4854200 3932.6378 20477.8006 14493.8697 235.9529 -203341.4695 2561.1818 0.0000 0.0000 52099.4963 -109540.5305 299.4165 -161640.0268 -109179.5885 299.4691 78.9589 110.5636 762168.2324 -0.4719 -0.3926 PRESSURE: 4854400 -52.5078 -32.3979 4.52805 -32.3971 -117.486 -54.8143 4.52767 -54.8145 -42.7872 GPRESSURE: 4854400 -64.0721 24.3514 41.3663 -6.4003 -6.78956 22.8577 -59.5842 -69.0434 -40.2149 PRESSAVG: 4854400 46.1754 -38.4204 35.0853 -38.4205 -32.8846 25.0756 35.0853 25.0757 3.02211 GPRESSAVG: 4854400 45.4129 -36.7283 34.7993 -38.2677 -31.5456 27.8213 35.8849 21.8398 2.3587 TIMING: 4854400 CPU: 15644.9, 0.003096/step Wall: 15644.9, 0.003096/step, 0.125216 hours remaining, 235.652344 MB of memory in use. ENERGY: 4854400 3903.5689 20554.9426 14379.6829 223.7678 -203006.9274 2384.8440 0.0000 0.0000 52106.4191 -109453.7021 299.4563 -161560.1212 -109095.8023 299.4238 -70.9269 -37.0255 761862.7314 5.4376 5.4087 PRESSURE: 4854600 -377.268 33.8014 17.4206 33.8015 -108.312 -180.88 17.4201 -180.881 -577.058 GPRESSURE: 4854600 -199.346 -79.158 -21.9571 55.7592 -108.701 -207.463 -25.7011 -222.997 -652.118 PRESSAVG: 4854600 21.8984 -36.0224 27.5758 -36.0224 17.9564 14.3201 27.5759 14.3201 -3.98118 GPRESSAVG: 4854600 23.5238 -38.8963 27.4522 -37.2767 15.8259 13.8763 24.5721 13.8249 -2.8904 TIMING: 4854600 CPU: 15645.5, 0.0030932/step Wall: 15645.5, 0.0030932/step, 0.124931 hours remaining, 235.652344 MB of memory in use. ENERGY: 4854600 4030.1058 20503.7758 14417.4348 255.1129 -203229.4289 2296.8845 0.0000 0.0000 52244.8829 -109481.2322 300.2521 -161726.1150 -109118.3461 299.6905 -354.2128 -320.0552 762095.6439 11.9579 12.1531 PRESSURE: 4854800 -115.458 81.6714 -50.9677 81.6717 -395.598 140.76 -50.9669 140.76 -353.186 GPRESSURE: 4854800 -47.0198 60.0427 -68.7658 25.6291 -416.734 25.2173 -19.5242 193.081 -313.001 PRESSAVG: 4854800 35.5589 -13.7409 -20.3564 -13.7409 -27.9344 0.883188 -20.3564 0.883239 15.5723 GPRESSAVG: 4854800 35.1322 -14.0916 -19.6417 -12.9643 -26.4594 -0.800307 -17.7915 4.33703 14.5308 TIMING: 4854800 CPU: 15646.1, 0.00310024/step Wall: 15646.1, 0.00310024/step, 0.125043 hours remaining, 235.652344 MB of memory in use. ENERGY: 4854800 4007.9826 20436.7752 14516.2785 252.3553 -202953.5422 2202.3131 0.0000 0.0000 51947.7851 -109590.0524 298.5446 -161537.8375 -109220.9798 299.3068 -288.0807 -258.9184 762167.3358 7.7323 7.7345 PRESSURE: 4855000 -93.4533 -127.296 -204.661 -127.297 240.631 -68.1883 -204.661 -68.1876 204.94 GPRESSURE: 4855000 97.9286 -145.611 -138.69 -76.5822 155.887 -18.1866 -150.302 -135.944 173.081 PRESSAVG: 4855000 58.6953 6.94965 7.36604 6.9496 -34.5326 -47.8012 7.36605 -47.8012 -15.2119 GPRESSAVG: 4855000 58.5206 8.1313 7.69245 7.40891 -34.6997 -46.781 7.37738 -49.3609 -14.875 TIMING: 4855000 CPU: 15646.7, 0.00308692/step Wall: 15646.7, 0.00308692/step, 0.124334 hours remaining, 235.652344 MB of memory in use. ENERGY: 4855000 3981.8298 20452.6583 14410.4458 240.9787 -203718.0088 2836.1630 0.0000 0.0000 52048.8604 -109747.0728 299.1255 -161795.9332 -109394.9128 298.8790 117.3725 142.2989 761269.6863 2.9836 2.9820 PRESSURE: 4855200 104.526 59.9112 -425.367 59.9122 201.731 -102.588 -425.367 -102.589 -208.995 GPRESSURE: 4855200 158.864 129.459 -436.579 11.0042 152.306 -124.086 -256.184 -159.521 -154.893 PRESSAVG: 4855200 -11.1864 15.1902 -26.7645 15.1902 19.9404 -16.2153 -26.7644 -16.2153 8.64683 GPRESSAVG: 4855200 -10.5834 17.401 -27.0511 13.1632 18.3825 -17.2035 -26.7463 -15.9224 8.98378 TIMING: 4855200 CPU: 15647.4, 0.00311591/step Wall: 15647.4, 0.00311591/step, 0.125329 hours remaining, 235.652344 MB of memory in use. ENERGY: 4855200 3935.8510 20442.2096 14460.1575 225.9546 -203324.8721 2589.4109 0.0000 0.0000 52285.3506 -109385.9379 300.4846 -161671.2885 -109025.5461 299.0854 32.4208 52.0926 761792.1348 5.8003 5.5943 PRESSURE: 4855400 -18.8841 306.663 -79.6118 306.662 -138.155 -128.215 -79.6117 -128.215 -41.8266 GPRESSURE: 4855400 -38.1788 172.028 -147.318 178.074 -94.2208 -94.8077 -7.68837 -314.245 18.4142 PRESSAVG: 4855400 68.2196 25.5694 -50.5263 25.5694 -73.9345 51.7562 -50.5263 51.7562 -6.13083 GPRESSAVG: 4855400 66.0506 24.5112 -51.405 25.7666 -71.3569 52.8837 -50.9293 51.076 -6.88045 TIMING: 4855400 CPU: 15648, 0.00311872/step Wall: 15648, 0.00311872/step, 0.125269 hours remaining, 235.652344 MB of memory in use. ENERGY: 4855400 3991.7153 20549.4175 14457.7421 246.0850 -202515.9979 1981.8461 0.0000 0.0000 52066.5292 -109222.6626 299.2271 -161289.1919 -108856.4026 299.2993 -66.2886 -37.9951 761883.0952 -3.9486 -4.0623 PRESSURE: 4855600 36.925 68.1463 139.863 68.1461 -290.544 108.766 139.863 108.766 -319.185 GPRESSURE: 4855600 79.8499 115.966 92.7918 -4.82046 -314.115 160.732 87.2143 107.093 -247.926 PRESSAVG: 4855600 53.1021 29.9768 -53.8441 29.9768 -40.1903 -40.891 -53.8442 -40.891 -20.4826 GPRESSAVG: 4855600 55.1927 29.4113 -54.0721 32.8877 -41.5187 -39.6533 -55.0574 -41.6503 -21.2262 TIMING: 4855600 CPU: 15648.6, 0.00312312/step Wall: 15648.6, 0.00312312/step, 0.125272 hours remaining, 235.652344 MB of memory in use. ENERGY: 4855600 4038.9559 20411.0762 14451.3877 240.8408 -202906.4922 2280.0628 0.0000 0.0000 52214.7249 -109269.4439 300.0787 -161484.1688 -108909.6202 299.8392 -190.9348 -160.7302 759527.7547 -2.5236 -2.5174 PRESSURE: 4855800 114.494 193.888 -135.335 193.889 207.571 -89.1277 -135.336 -89.1279 172.556 GPRESSURE: 4855800 186.665 221.192 -17.0369 215.674 228.641 -97.3009 -202.523 34.0312 162.113 PRESSAVG: 4855800 49.0075 -13.2199 1.49052 -13.2199 -25.3028 17.4807 1.49056 17.4807 0.696613 GPRESSAVG: 4855800 47.9048 -12.8169 0.925391 -14.5803 -23.9005 16.1705 2.25302 18.3125 1.0032 TIMING: 4855800 CPU: 15649.2, 0.00313524/step Wall: 15649.2, 0.00313524/step, 0.125584 hours remaining, 235.652344 MB of memory in use. ENERGY: 4855800 3997.6798 20558.2301 14407.1327 249.9911 -202872.4552 2409.3215 0.0000 0.0000 52141.5264 -109108.5735 299.6581 -161250.0999 -108750.8129 299.8531 164.8739 192.4728 760626.0705 8.1338 8.3359 PRESSURE: 4856000 -166.071 -202.32 26.482 -202.32 204.768 13.662 26.481 13.6606 25.0068 GPRESSURE: 4856000 -65.3846 -237.189 65.8042 -210.671 223.318 112.121 233.164 -178.969 -17.4798 PRESSAVG: 4856000 -46.5621 -1.55848 -11.5338 -1.55852 37.7058 42.7193 -11.5338 42.7193 7.70494 GPRESSAVG: 4856000 -45.7068 -1.23475 -10.4729 -2.6561 36.0159 42.1305 -12.4057 42.1736 8.76615 TIMING: 4856000 CPU: 15649.9, 0.00311179/step Wall: 15649.9, 0.00311179/step, 0.124471 hours remaining, 235.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4856000 3986.5506 20489.4352 14383.6975 251.5602 -203204.3019 2597.1967 0.0000 0.0000 52235.6103 -109260.2514 300.1988 -161495.8617 -108895.2433 299.8868 21.2347 46.8180 761504.1208 -0.3838 -0.3082 PRESSURE: 4856200 -389.076 96.6305 -185.862 96.6307 201.84 99.0191 -185.863 99.0202 -525.847 GPRESSURE: 4856200 -359.762 85.2392 -175.791 79.9437 162.402 206.391 -207.178 172.446 -419.841 PRESSAVG: 4856200 10.7303 -18.3765 -0.360265 -18.3765 15.7981 27.3168 -0.360203 27.3167 -10.2294 GPRESSAVG: 4856200 9.89584 -18.9624 -1.17784 -16.806 16.7977 26.945 0.889071 28.0679 -10.767 TIMING: 4856200 CPU: 15650.5, 0.0031295/step Wall: 15650.5, 0.0031295/step, 0.125006 hours remaining, 235.652344 MB of memory in use. ENERGY: 4856200 3958.2497 20403.2987 14384.5308 249.3449 -202953.0915 2438.8723 0.0000 0.0000 52126.5014 -109392.2936 299.5717 -161518.7950 -109018.9357 299.3360 -237.6943 -205.7335 762040.0905 5.4330 5.3089 LDB: ============= START OF LOAD BALANCING ============== 15662.9 LDB: ============== END OF LOAD BALANCING =============== 15662.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15662.9 LDB: ============= START OF LOAD BALANCING ============== 15663.2 LDB: Largest compute 7075 load 0.033503 is 17.1% of average load 0.195447 LDB: Average compute 0.004376 is 2.2% of average load 0.195447 LDB: TIME 15663.2 LOAD: AVG 0.195447 MAX 0.214583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.043 MB LDB: TIME 15663.2 LOAD: AVG 0.195447 MAX 0.214583 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 15663.2 LOAD: AVG 0.195447 MAX 0.214583 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 15663.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15663.2 PRESSURE: 4856400 -74.5556 37.2622 -186.615 37.2617 -277.136 -110.435 -186.616 -110.435 -207.988 GPRESSURE: 4856400 -30.5317 33.7283 -192.898 19.3015 -194.074 -15.869 -189.513 -262.035 -265.242 PRESSAVG: 4856400 -0.789789 -3.66789 4.73127 -3.66789 -20.1746 -8.34419 4.73123 -8.34424 4.9056 GPRESSAVG: 4856400 -1.68652 -5.39002 4.86278 -1.93398 -19.5657 -8.48759 4.15569 -8.56316 4.34421 TIMING: 4856400 CPU: 15651.1, 0.0032156/step Wall: 15651.1, 0.0032156/step, 0.128267 hours remaining, 234.882812 MB of memory in use. ENERGY: 4856400 4015.8491 20445.9840 14427.5027 249.5864 -202752.1364 2352.7801 0.0000 0.0000 51966.1785 -109294.2556 298.6503 -161260.4340 -108930.5004 299.1344 -186.5600 -163.2824 761631.7543 -5.3529 -5.6360 PRESSURE: 4856600 54.9266 -76.1203 54.2122 -76.1201 326.365 80.5189 54.2114 80.5197 50.4365 GPRESSURE: 4856600 120.263 -30.9459 94.5872 26.5893 312.964 67.5665 68.6883 73.9902 82.2292 PRESSAVG: 4856600 22.9956 -25.4748 -12.9407 -25.4749 14.373 60.128 -12.9408 60.1281 -4.91248 GPRESSAVG: 4856600 23.8653 -24.1864 -12.6106 -27.4598 12.0922 60.6612 -12.593 60.2337 -3.90897 TIMING: 4856600 CPU: 15651.8, 0.00313863/step Wall: 15651.8, 0.00313863/step, 0.125022 hours remaining, 234.882812 MB of memory in use. ENERGY: 4856600 4017.7819 20618.5762 14489.2777 238.6237 -203215.6277 2433.7216 0.0000 0.0000 52220.4188 -109197.2277 300.1115 -161417.6466 -108835.9713 299.8753 143.9092 171.8187 759313.8492 10.8187 10.6829 PRESSURE: 4856800 278.84 -103.63 32.6953 -103.63 294.251 -137.469 32.6947 -137.469 315.847 GPRESSURE: 4856800 282.617 -88.4233 84.9769 -82.0378 364.852 -93.8611 122.716 -125.781 318.531 PRESSAVG: 4856800 -7.07868 -2.92138 17.8762 -2.92144 24.8275 -10.3913 17.8762 -10.3913 -17.1247 GPRESSAVG: 4856800 -7.13306 -2.08211 17.9992 -3.20678 25.3861 -9.32015 16.8186 -11.2283 -17.5587 TIMING: 4856800 CPU: 15652.4, 0.00312577/step Wall: 15652.4, 0.00312577/step, 0.124336 hours remaining, 234.953125 MB of memory in use. ENERGY: 4856800 4053.7163 20419.5489 14467.5888 248.8686 -203083.1813 2476.0017 0.0000 0.0000 52111.5369 -109305.9201 299.4857 -161417.4570 -108941.7265 299.5542 296.3124 321.9999 761003.2581 0.2080 0.2315 PRESSURE: 4857000 48.7137 87.4615 -84.6475 87.4618 -15.8606 -28.1579 -84.6475 -28.1579 -27.6479 GPRESSURE: 4857000 117.831 228.019 -175.387 142.301 -19.8559 -93.1105 -33.8434 34.0639 8.04303 PRESSAVG: 4857000 -15.0584 -54.184 3.58209 -54.184 14.8303 8.62511 3.58202 8.62512 21.8752 GPRESSAVG: 4857000 -14.4056 -53.9919 2.72792 -53.0751 14.6455 5.80487 4.82051 9.31639 21.2809 TIMING: 4857000 CPU: 15653, 0.00313362/step Wall: 15653, 0.00313362/step, 0.124474 hours remaining, 234.953125 MB of memory in use. ENERGY: 4857000 3931.0528 20505.2195 14507.1663 256.1975 -202807.5230 2469.2106 0.0000 0.0000 51763.8261 -109374.8502 297.4874 -161138.6763 -109015.9390 299.5907 1.7350 35.3392 763287.6704 7.2157 7.1736 PRESSURE: 4857200 -50.0466 -77.8524 -38.4767 -77.8518 209.896 -102.617 -38.4771 -102.616 94.4325 GPRESSURE: 4857200 -9.89917 -76.0907 -82.4525 -92.5882 322.967 -114.641 33.8819 -21.044 17.2671 PRESSAVG: 4857200 23.1654 -17.8572 -18.6151 -17.8571 -8.77648 25.7346 -18.6151 25.7345 -14.1418 GPRESSAVG: 4857200 23.1955 -18.4209 -18.6326 -16.4317 -8.10304 27.3692 -20.465 25.7474 -14.3226 TIMING: 4857200 CPU: 15653.6, 0.00313142/step Wall: 15653.6, 0.00313142/step, 0.124213 hours remaining, 234.953125 MB of memory in use. ENERGY: 4857200 4000.6248 20478.2788 14431.4148 246.7591 -203388.7507 2778.6020 0.0000 0.0000 52293.4187 -109159.6525 300.5310 -161453.0712 -108790.1919 299.0367 84.7605 110.1117 763061.8446 0.0824 0.2566 PRESSURE: 4857400 168.769 -168.858 97.4948 -168.858 -15.0136 -45.0121 97.494 -45.0124 29.8378 GPRESSURE: 4857400 200.859 -230.334 88.4982 -86.2079 -22.0315 -10.6693 106.309 -36.3101 95.429 PRESSAVG: 4857400 5.45294 15.3909 37.4489 15.3908 -0.567647 -55.8396 37.4489 -55.8396 -12.7889 GPRESSAVG: 4857400 4.56842 14.5932 39.5069 14.5936 -0.337359 -54.5758 39.4502 -56.9057 -12.3426 TIMING: 4857400 CPU: 15654.3, 0.00310736/step Wall: 15654.3, 0.00310736/step, 0.123086 hours remaining, 234.953125 MB of memory in use. ENERGY: 4857400 3962.0256 20480.0232 14543.0435 243.1140 -203378.4649 2876.2239 0.0000 0.0000 51906.0604 -109367.9744 298.3048 -161274.0348 -109007.3887 299.5698 61.1978 91.4188 761850.8256 -2.6345 -2.7039 PRESSURE: 4857600 181.451 -63.1261 32.6242 -63.1257 -76.0465 26.3708 32.6248 26.3702 115.673 GPRESSURE: 4857600 231.821 -58.2168 39.1619 -53.9258 -55.6853 -13.4055 64.5072 -30.5138 136.783 PRESSAVG: 4857600 36.4708 -57.9336 -66.5761 -57.9336 -74.1949 31.9408 -66.5762 31.9409 -7.418 GPRESSAVG: 4857600 36.1802 -56.5761 -68.7263 -59.4262 -74.8322 29.9841 -66.9377 31.6658 -7.14251 TIMING: 4857600 CPU: 15654.9, 0.00312438/step Wall: 15654.9, 0.00312438/step, 0.123586 hours remaining, 234.953125 MB of memory in use. ENERGY: 4857600 3944.1683 20445.3862 14456.9864 244.7643 -202916.1090 2372.1539 0.0000 0.0000 52161.8822 -109290.7676 299.7751 -161452.6498 -108923.0042 299.2058 73.6925 104.3061 761382.3332 -15.0474 -15.2648 PRESSURE: 4857800 0.67967 -129.312 47.0832 -129.312 -161.108 -28.1209 47.0835 -28.1215 -450.757 GPRESSURE: 4857800 53.6849 -124.813 17.7966 -67.0778 -179.384 17.3227 48.0865 93.2811 -413.41 PRESSAVG: 4857800 29.1376 4.41832 -18.1362 4.41831 -7.90432 -26.168 -18.1361 -26.1679 -5.57613 GPRESSAVG: 4857800 28.7922 3.63349 -17.7251 6.41461 -6.93023 -26.1642 -20.5257 -24.2613 -5.82525 TIMING: 4857800 CPU: 15655.5, 0.00312916/step Wall: 15655.5, 0.00312916/step, 0.123602 hours remaining, 234.953125 MB of memory in use. ENERGY: 4857800 3914.4036 20542.0478 14527.0226 229.4854 -202532.7641 2009.5008 0.0000 0.0000 52083.9911 -109226.3128 299.3274 -161310.3039 -108865.3108 299.1835 -203.7284 -179.7031 761088.5066 5.2191 5.3456 PRESSURE: 4858000 108.438 29.9774 129.146 29.9772 277.827 74.6593 129.146 74.6587 -123.583 GPRESSURE: 4858000 175.338 38.682 154.826 40.4076 335.425 13.3959 120.229 128.345 -146.735 PRESSAVG: 4858000 59.001 30.6646 13.2741 30.6646 -9.60777 -13.8769 13.2741 -13.877 7.70222 GPRESSAVG: 4858000 59.1654 31.0191 14.4092 29.4157 -10.026 -12.6489 12.8806 -15.3505 8.19431 TIMING: 4858000 CPU: 15656.1, 0.00310946/step Wall: 15656.1, 0.00310946/step, 0.122651 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4858000 3946.7579 20496.7756 14479.1147 239.2544 -203321.2195 2813.1365 0.0000 0.0000 52237.3123 -109108.8681 300.2086 -161346.1804 -108751.0554 299.6840 87.5603 121.3425 759384.9891 19.0318 19.1112 PRESSURE: 4858200 -247.807 214.344 227.295 214.345 10.8767 181.2 227.295 181.199 -171.615 GPRESSURE: 4858200 -172.013 208.005 183.614 54.1056 -28.8333 229.055 147.913 227.646 -128.525 PRESSAVG: 4858200 -13.819 -29.1035 27.1304 -29.1035 -15.6977 33.162 27.1303 33.1621 -0.887948 GPRESSAVG: 4858200 -12.9547 -29.0248 24.8651 -30.8981 -15.1843 32.8472 29.8462 33.1369 -2.04284 TIMING: 4858200 CPU: 15656.8, 0.00311448/step Wall: 15656.8, 0.00311448/step, 0.122676 hours remaining, 234.953125 MB of memory in use. ENERGY: 4858200 4059.9611 20617.4264 14511.8204 227.3243 -203135.4236 2633.6029 0.0000 0.0000 52006.9626 -109078.3258 298.8847 -161085.2884 -108712.2875 299.8575 -136.1817 -109.7903 760404.4762 -10.1349 -10.0606 PRESSURE: 4858400 -93.2475 -124.679 -130.159 -124.679 72.5038 339.015 -130.16 339.015 -336.179 GPRESSURE: 4858400 -21.7577 -159.794 -20.3123 -76.8518 50.4488 311.369 -62.837 240.437 -314.704 PRESSAVG: 4858400 5.48251 -36.7425 -11.4211 -36.7424 28.0379 -20.4921 -11.4211 -20.4921 -1.05078 GPRESSAVG: 4858400 5.34604 -37.0471 -10.8165 -35.0959 28.0782 -18.5298 -10.4312 -21.1816 -0.550523 TIMING: 4858400 CPU: 15657.4, 0.00314073/step Wall: 15657.4, 0.00314073/step, 0.123536 hours remaining, 234.953125 MB of memory in use. ENERGY: 4858400 4007.2665 20440.8936 14524.1401 247.5482 -203269.6488 2582.6352 0.0000 0.0000 52526.2116 -108940.9535 301.8689 -161467.1651 -108570.7661 300.4645 -118.9743 -95.3377 760199.9315 10.8232 10.9579 PRESSURE: 4858600 1.20669 16.8998 -63.8783 16.9004 -242.705 -80.261 -63.8782 -80.2615 -110.102 GPRESSURE: 4858600 41.6721 22.0512 -101.971 38.4397 -81.942 -56.5571 -13.9323 -14.713 -208.162 PRESSAVG: 4858600 20.9994 -43.7793 -36.8253 -43.7793 -35.4077 -44.9978 -36.8252 -44.9977 4.47464 GPRESSAVG: 4858600 22.4357 -43.4791 -36.7533 -43.7945 -36.4832 -46.833 -38.246 -43.6226 4.0783 TIMING: 4858600 CPU: 15658, 0.00313739/step Wall: 15658, 0.00313739/step, 0.12323 hours remaining, 234.953125 MB of memory in use. ENERGY: 4858600 3997.1698 20484.3045 14412.4557 251.9120 -203079.0410 2606.5934 0.0000 0.0000 52181.7027 -109144.9027 299.8890 -161326.6054 -108784.1054 300.0925 -117.2003 -82.8105 760189.3145 -3.3112 -3.3231 PRESSURE: 4858800 -72.1298 -124.647 -86.3925 -124.647 95.4641 209.267 -86.3918 209.268 -405.29 GPRESSURE: 4858800 -28.005 -103.716 -64.5615 -139.073 123.623 184.935 -6.01006 232.131 -385.027 PRESSAVG: 4858800 50.6895 -32.6817 -4.13231 -32.6817 -20.1243 14.9658 -4.13229 14.9658 3.27474 GPRESSAVG: 4858800 48.1239 -33.5443 -4.18016 -31.2326 -19.5917 15.3632 -5.01662 14.2126 4.65711 TIMING: 4858800 CPU: 15658.6, 0.00313447/step Wall: 15658.6, 0.00313447/step, 0.122941 hours remaining, 234.953125 MB of memory in use. ENERGY: 4858800 3985.2891 20504.3630 14508.8535 246.0226 -203405.5970 2534.0573 0.0000 0.0000 52101.2734 -109525.7382 299.4267 -161627.0115 -109169.5315 299.7913 -127.3186 -96.4697 760310.5407 11.2800 11.0631 PRESSURE: 4859000 190.347 5.13388 -37.0322 5.1337 -183.828 -66.8708 -37.0323 -66.8715 107.809 GPRESSURE: 4859000 277.682 -1.25627 27.6929 -68.5918 -154.874 -45.1749 2.33293 -39.4678 88.2236 PRESSAVG: 4859000 54.9514 -19.2434 13.5817 -19.2434 -20.0413 47.4035 13.5817 47.4034 -7.90628 GPRESSAVG: 4859000 55.4451 -22.331 14.8686 -19.9655 -19.9218 48.2006 13.6622 46.0777 -8.24175 TIMING: 4859000 CPU: 15659.3, 0.00311923/step Wall: 15659.3, 0.00311923/step, 0.12217 hours remaining, 234.953125 MB of memory in use. ENERGY: 4859000 4061.3790 20636.6524 14462.3236 247.5362 -203321.5032 2619.2351 0.0000 0.0000 52174.8466 -109119.5304 299.8496 -161294.3769 -108757.8976 299.6077 38.1089 70.3437 758744.3892 9.0013 9.0939 PRESSURE: 4859200 -0.681909 106.183 216.579 106.183 -422.766 -34.4384 216.579 -34.4385 -78.457 GPRESSURE: 4859200 85.6387 98.8646 225.175 78.9784 -352.997 16.7867 95.5601 65.5036 -133.218 PRESSAVG: 4859200 62.6983 2.68591 18.354 2.68589 -34.4746 -0.168211 18.354 -0.168208 -9.77829 GPRESSAVG: 4859200 63.6244 5.51839 16.2914 0.0159306 -34.6743 -1.3264 18.8936 0.0767103 -10.3761 TIMING: 4859200 CPU: 15659.9, 0.00314873/step Wall: 15659.9, 0.00314873/step, 0.12315 hours remaining, 234.953125 MB of memory in use. ENERGY: 4859200 3975.0140 20649.0532 14446.4049 261.4288 -203491.6317 2675.7468 0.0000 0.0000 52349.6162 -109134.3677 300.8540 -161483.9839 -108764.3344 300.2015 -167.3017 -133.5254 760997.4251 6.1485 6.1913 PRESSURE: 4859400 -96.7735 3.96727 157.918 3.96764 -203.141 55.7191 157.919 55.7193 -191.092 GPRESSURE: 4859400 -116.694 37.0404 135.276 11.0611 -99.6936 -11.731 142.578 58.7367 -175.868 PRESSAVG: 4859400 6.50546 -3.7441 -3.00086 -3.74404 -24.9305 56.8051 -3.00089 56.8051 2.90116 GPRESSAVG: 4859400 6.46042 -4.50806 -2.83884 -1.45943 -25.2884 56.5291 -4.34926 57.9814 3.2948 TIMING: 4859400 CPU: 15660.5, 0.00312647/step Wall: 15660.5, 0.00312647/step, 0.122106 hours remaining, 234.953125 MB of memory in use. ENERGY: 4859400 4020.3942 20708.0423 14484.1489 256.0544 -203501.0036 2666.0994 0.0000 0.0000 52001.6895 -109364.5748 298.8544 -161366.2643 -108997.3567 299.5430 -163.6691 -130.7517 761686.4120 -5.1746 -5.1777 PRESSURE: 4859600 -160.463 -34.7835 13.267 -34.783 -299.095 -206.611 13.2675 -206.612 -77.7112 GPRESSURE: 4859600 -204.961 -3.88449 -38.3886 -56.2867 -218.636 -239.434 47.1497 -214.921 -36.8574 PRESSAVG: 4859600 -11.7163 15.2824 -25.4442 15.2824 13.3731 11.9841 -25.4441 11.9842 12.3339 GPRESSAVG: 4859600 -11.8674 14.2538 -25.5759 13.5071 13.5202 11.6902 -22.5888 12.1903 12.5692 TIMING: 4859600 CPU: 15661.1, 0.00313974/step Wall: 15661.1, 0.00313974/step, 0.12245 hours remaining, 234.953125 MB of memory in use. ENERGY: 4859600 4044.6056 20586.7454 14488.7943 254.9547 -203034.7780 2222.1734 0.0000 0.0000 52129.9568 -109307.5478 299.5916 -161437.5046 -108941.2497 299.5894 -179.0897 -153.4850 762492.9719 4.6636 4.7407 PRESSURE: 4859800 25.1101 59.2369 -144.655 59.2368 269.554 -119.537 -144.654 -119.538 -401.432 GPRESSURE: 4859800 -12.0714 -73.8127 -191.664 127.312 261.708 2.53191 -83.5727 -62.7185 -299.7 PRESSAVG: 4859800 -27.8638 16.9259 -17.516 16.9259 19.4208 23.1131 -17.5161 23.1131 -11.773 GPRESSAVG: 4859800 -28.5773 18.6595 -16.5813 19.0974 19.311 21.6254 -19.2856 22.3039 -11.3748 TIMING: 4859800 CPU: 15661.8, 0.00312869/step Wall: 15661.8, 0.00312869/step, 0.121845 hours remaining, 234.953125 MB of memory in use. ENERGY: 4859800 3965.5446 20513.3598 14504.9874 230.1123 -203049.2893 2410.4269 0.0000 0.0000 51941.7918 -109483.0665 298.5102 -161424.8583 -109122.5797 299.2456 -35.5892 -16.6879 760721.3032 -6.7387 -6.8804 PRESSURE: 4860000 121.469 17.2162 -115.101 17.216 366.925 154.05 -115.1 154.051 -43.5874 GPRESSURE: 4860000 171.894 6.86805 -84.2202 165.662 380.623 198.772 -107.198 99.7979 -35.9237 PRESSAVG: 4860000 15.146 9.92636 -28.8464 9.9264 -21.3086 25.6016 -28.8465 25.6016 -3.75748 GPRESSAVG: 4860000 15.4755 9.57624 -28.2988 9.9432 -20.6416 27.3266 -31.3638 23.8155 -4.61346 TIMING: 4860000 CPU: 15662.4, 0.00313344/step Wall: 15662.4, 0.00313344/step, 0.121856 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4860000 3913.4560 20609.4679 14470.5799 230.0889 -204033.5276 2976.7248 0.0000 0.0000 52029.7564 -109803.4537 299.0157 -161833.2101 -109452.2423 298.9684 148.2687 172.1980 759393.0396 -3.3067 -3.2599 PRESSURE: 4860200 -115.585 118.439 68.0711 118.439 -211.234 -219.094 68.0707 -219.094 -102.686 GPRESSURE: 4860200 -142.854 65.3633 84.8469 147.84 -155.453 -144.077 -25.8924 -300.799 -48.4075 PRESSAVG: 4860200 31.9376 21.1049 2.90824 21.1049 17.3041 4.82763 2.90825 4.82757 -14.8288 GPRESSAVG: 4860200 33.2272 21.7368 2.68246 20.9799 16.1824 5.26618 6.01085 7.17474 -15.1999 TIMING: 4860200 CPU: 15663, 0.00314003/step Wall: 15663, 0.00314003/step, 0.121938 hours remaining, 234.953125 MB of memory in use. ENERGY: 4860200 3967.3508 20535.3927 14463.4152 259.9427 -203599.5285 2629.6550 0.0000 0.0000 52027.1688 -109716.6032 299.0009 -161743.7721 -109342.3978 298.6583 -143.1684 -115.5714 762377.2026 11.4710 11.4033 LDB: ============= START OF LOAD BALANCING ============== 15675.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15675.4 LDB: =============== DONE WITH MIGRATION ================ 15675.4 LDB: ============= START OF LOAD BALANCING ============== 15675.8 LDB: Largest compute 7064 load 0.032799 is 16.8% of average load 0.195628 LDB: Average compute 0.004353 is 2.2% of average load 0.195628 LDB: TIME 15675.8 LOAD: AVG 0.195628 MAX 0.211987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.172 MB LDB: TIME 15675.8 LOAD: AVG 0.195628 MAX 0.211987 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 15675.8 LOAD: AVG 0.195628 MAX 0.211987 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 15675.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15675.8 PRESSURE: 4860400 -24.8748 -338.829 -97.9831 -338.828 167.442 -60.767 -97.9832 -60.7679 -263.722 GPRESSURE: 4860400 71.0045 -373.62 -72.1107 -357.439 72.2109 4.41934 -146.645 -135.623 -178.173 PRESSAVG: 4860400 14.6802 -8.22082 -16.4808 -8.22086 -13.0857 6.35369 -16.4808 6.35363 4.84914 GPRESSAVG: 4860400 12.5943 -10.3684 -18.0933 -8.54571 -11.8528 4.27097 -16.7855 5.44016 5.5276 TIMING: 4860400 CPU: 15663.7, 0.00320111/step Wall: 15663.7, 0.00320111/step, 0.124132 hours remaining, 234.882812 MB of memory in use. ENERGY: 4860400 4036.8468 20644.1164 14462.5193 225.9062 -203417.7761 2564.3910 0.0000 0.0000 51754.1947 -109729.8015 297.4321 -161483.9962 -109386.2316 298.5851 -40.3851 -11.6527 761570.7885 2.1479 2.0897 PRESSURE: 4860600 -440.749 159.306 259.758 159.306 94.2096 135.67 259.759 135.669 27.8172 GPRESSURE: 4860600 -315.194 127.545 194.695 142.623 47.8222 138.016 255.706 163.587 33.0238 PRESSAVG: 4860600 34.4788 -3.95559 -24.8261 -3.95558 -26.6352 2.62405 -24.8261 2.62406 -3.25285 GPRESSAVG: 4860600 35.0241 -2.74257 -22.6397 -4.10363 -27.2099 3.09129 -26.3525 4.24455 -3.74595 TIMING: 4860600 CPU: 15664.3, 0.00313836/step Wall: 15664.3, 0.00313836/step, 0.121524 hours remaining, 235.085938 MB of memory in use. ENERGY: 4860600 3992.1603 20603.9832 14456.8848 239.1642 -203196.0610 2370.3030 0.0000 0.0000 51672.1783 -109861.3872 296.9607 -161533.5655 -109506.8762 298.6616 -106.2408 -78.1161 761191.9768 1.5303 1.3561 PRESSURE: 4860800 141.441 17.9845 64.9686 17.9837 -1.70691 26.4575 64.9684 26.4563 514.341 GPRESSURE: 4860800 191.744 8.05075 64.0238 -51.2238 55.134 -19.0652 114.976 -5.68291 481.317 PRESSAVG: 4860800 62.2425 -16.2132 -37.2628 -16.2132 -43.7062 24.533 -37.2628 24.533 -12.5088 GPRESSAVG: 4860800 61.3265 -16.8752 -38.5428 -16.3096 -43.208 25.0184 -32.68 23.3394 -11.9992 TIMING: 4860800 CPU: 15664.9, 0.00314243/step Wall: 15664.9, 0.00314242/step, 0.121507 hours remaining, 235.085938 MB of memory in use. ENERGY: 4860800 3976.2143 20633.6341 14418.2398 257.9607 -203572.1955 2671.4107 0.0000 0.0000 51767.0492 -109847.6868 297.5059 -161614.7360 -109495.6286 298.5411 218.0249 242.7318 759793.7424 2.0092 2.0397 PRESSURE: 4861000 -147.771 -78.9859 203.071 -78.9859 -366.247 33.5808 203.072 33.5798 -163.765 GPRESSURE: 4861000 -34.4271 -90.1432 178.068 -72.8086 -361.727 11.1659 252.906 53.4414 -178.087 PRESSAVG: 4861000 -1.57199 -45.0858 -37.5468 -45.0858 -34.389 47.74 -37.5469 47.7401 -3.51339 GPRESSAVG: 4861000 -1.70419 -43.2325 -37.3169 -43.2304 -34.2705 47.1993 -40.7798 48.1303 -3.40442 TIMING: 4861000 CPU: 15665.5, 0.00311179/step Wall: 15665.5, 0.00311179/step, 0.12015 hours remaining, 235.085938 MB of memory in use. ENERGY: 4861000 4008.3219 20473.1315 14515.0040 236.7549 -203157.5225 2503.0774 0.0000 0.0000 51834.4387 -109586.7940 297.8932 -161421.2328 -109225.9267 298.8201 -225.9277 -191.4139 761878.4523 -13.1581 -13.1264 PRESSURE: 4861200 67.5409 38.2678 -2.00553 38.2683 -43.392 39.929 -2.00584 39.9289 484.135 GPRESSURE: 4861200 122.494 55.9675 -63.9117 41.2657 -54.2158 124.46 5.02921 -6.757 500.566 PRESSAVG: 4861200 -23.2728 -51.833 -18.8694 -51.833 35.8174 -38.2773 -18.8694 -38.2774 -0.132332 GPRESSAVG: 4861200 -22.2841 -52.3334 -18.5357 -54.1824 36.7073 -38.5758 -20.8223 -37.3693 -1.67276 TIMING: 4861200 CPU: 15666.2, 0.00311683/step Wall: 15666.2, 0.00311683/step, 0.120171 hours remaining, 235.085938 MB of memory in use. ENERGY: 4861200 4018.8844 20557.2214 14535.6381 238.8423 -203526.0141 2528.9149 0.0000 0.0000 52014.0295 -109632.4837 298.9253 -161646.5132 -109287.6949 299.1021 169.4280 189.6146 759511.2117 4.1374 4.2501 PRESSURE: 4861400 -144.692 -13.0059 -71.27 -13.006 -117.436 100.283 -71.27 100.283 15.0276 GPRESSURE: 4861400 -95.5241 -71.5685 -14.7946 110.758 -42.6091 161.438 23.7102 -46.7217 -14.2274 PRESSAVG: 4861400 -2.15565 -47.4854 -35.5369 -47.4854 7.0333 -81.4024 -35.5369 -81.4025 16.1195 GPRESSAVG: 4861400 -1.86074 -48.6199 -35.153 -44.7506 5.86639 -80.8395 -32.7024 -83.0727 17.0687 TIMING: 4861400 CPU: 15666.8, 0.00311953/step Wall: 15666.8, 0.00311953/step, 0.120102 hours remaining, 235.085938 MB of memory in use. ENERGY: 4861400 3989.4602 20683.6808 14430.0033 264.5674 -203226.2586 2354.2045 0.0000 0.0000 52048.8160 -109455.5263 299.1253 -161504.3423 -109090.7760 299.2117 -82.3667 -50.7869 760271.5749 6.9990 7.0248 PRESSURE: 4861600 -307.395 -112.48 -138.94 -112.481 -241.902 162.786 -138.941 162.787 -484.844 GPRESSURE: 4861600 -217.762 -70.5525 -148.113 1.23611 -237.848 220.899 -193.648 138.958 -486.189 PRESSAVG: 4861600 44.4947 -65.894 -26.5528 -65.894 -24.3321 17.701 -26.5527 17.7011 -13.1381 GPRESSAVG: 4861600 43.6405 -65.332 -27.4303 -66.8944 -24.6507 17.1515 -26.6405 18.0602 -11.777 TIMING: 4861600 CPU: 15667.4, 0.00310469/step Wall: 15667.4, 0.00310469/step, 0.119358 hours remaining, 235.085938 MB of memory in use. ENERGY: 4861600 3920.2158 20659.3829 14520.3738 268.1286 -203237.9658 2409.1291 0.0000 0.0000 52128.1281 -109332.6075 299.5811 -161460.7356 -108958.3847 299.7036 -344.7137 -313.9333 762098.1168 2.3415 2.4043 PRESSURE: 4861800 395.875 -133.01 -125.563 -133.01 -86.7042 -245.418 -125.563 -245.418 72.4653 GPRESSURE: 4861800 412.427 -69.0185 -97.2898 -170.307 -20.9768 -273.89 -18.7024 -144.458 73.524 PRESSAVG: 4861800 -16.5422 -44.7018 -31.5335 -44.7017 -17.2365 24.4332 -31.5335 24.4332 13.5567 GPRESSAVG: 4861800 -16.1796 -44.6527 -29.4315 -46.3758 -15.4386 24.7263 -32.791 26.0291 11.3883 TIMING: 4861800 CPU: 15668, 0.00313297/step Wall: 15668, 0.00313297/step, 0.120271 hours remaining, 235.085938 MB of memory in use. ENERGY: 4861800 4016.7371 20566.0484 14489.1221 248.3001 -203237.8866 2378.8133 0.0000 0.0000 52173.2582 -109365.6073 299.8404 -161538.8655 -109006.1378 299.3487 127.2120 154.9916 761004.5782 -6.7407 -6.7433 PRESSURE: 4862000 -203.968 -186.532 27.417 -186.532 -198.241 -28.1711 27.4163 -28.171 38.7297 GPRESSURE: 4862000 -204.227 -100.518 51.7902 -214.176 -134.05 72.9275 -10.8296 -141.493 71.3417 PRESSAVG: 4862000 7.2929 -92.6718 -38.0877 -92.6718 31.3029 29.3426 -38.0876 29.3426 6.7325 GPRESSAVG: 4862000 6.03275 -93.0869 -41.5231 -91.486 30.8701 29.1614 -36.5323 28.9166 8.64962 TIMING: 4862000 CPU: 15668.7, 0.00313342/step Wall: 15668.7, 0.00313342/step, 0.120114 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4862000 4016.4396 20626.8172 14549.7952 252.0000 -203708.6540 2802.3759 0.0000 0.0000 52065.6358 -109395.5903 299.2219 -161461.2261 -109034.0781 299.5826 -121.1596 -88.9783 762239.2039 15.1094 15.1842 PRESSURE: 4862200 -58.2681 76.6293 107.3 76.629 -138.499 7.50351 107.3 7.50307 402.839 GPRESSURE: 4862200 48.8977 113.562 -3.15543 100.06 -162.366 -76.8903 257.159 -1.68078 387.774 PRESSAVG: 4862200 3.01328 -32.5233 -66.7618 -32.5233 16.4765 -21.0215 -66.7617 -21.0214 5.57925 GPRESSAVG: 4862200 4.26215 -32.4885 -64.7713 -32.4693 16.6029 -20.0084 -66.5729 -22.384 4.6552 TIMING: 4862200 CPU: 15669.3, 0.00312068/step Wall: 15669.3, 0.00312068/step, 0.119453 hours remaining, 235.085938 MB of memory in use. ENERGY: 4862200 3922.6583 20586.5578 14462.6478 237.0157 -203603.1866 2624.8345 0.0000 0.0000 52059.7485 -109709.7240 299.1881 -161769.4724 -109343.6034 299.4337 68.6908 91.4352 760253.1299 8.3563 8.5067 PRESSURE: 4862400 377.056 -30.1942 -79.0334 -30.1956 93.1451 -207.778 -79.0329 -207.779 -188.059 GPRESSURE: 4862400 440.339 -97.0398 -175.523 -18.9797 9.07668 -178.985 -1.24232 -220.319 -74.5795 PRESSAVG: 4862400 -4.86072 -36.7364 -47.667 -36.7364 11.1712 -56.0048 -47.667 -56.0048 -9.21191 GPRESSAVG: 4862400 -5.036 -36.8063 -49.6923 -38.7685 10.965 -57.1315 -45.9978 -54.1211 -8.94093 TIMING: 4862400 CPU: 15669.9, 0.00311407/step Wall: 15669.9, 0.00311407/step, 0.119027 hours remaining, 235.285156 MB of memory in use. ENERGY: 4862400 3921.8752 20703.6550 14448.1730 242.3774 -204160.8512 3020.1675 0.0000 0.0000 52204.8884 -109619.7146 300.0222 -161824.6031 -109268.4283 298.9052 94.0476 124.9453 759540.5030 -0.9671 -1.0040 PRESSURE: 4862600 28.332 64.6004 59.527 64.5999 -471.369 -363.562 59.5271 -363.562 -53.142 GPRESSURE: 4862600 73.5576 222.207 34.2854 -35.074 -389.725 -344.481 113.112 -247.256 -89.6988 PRESSAVG: 4862600 74.997 -51.0191 -39.6896 -51.019 -18.0559 -59.6873 -39.6895 -59.6874 10.9427 GPRESSAVG: 4862600 74.5381 -51.4482 -37.1762 -48.5475 -16.8743 -58.825 -43.6119 -61.3857 10.149 TIMING: 4862600 CPU: 15670.5, 0.00311343/step Wall: 15670.5, 0.00311343/step, 0.118829 hours remaining, 235.285156 MB of memory in use. ENERGY: 4862600 3907.0370 20523.6435 14522.0429 254.3544 -203439.6169 2416.0995 0.0000 0.0000 51931.5289 -109884.9107 298.4512 -161816.4396 -109522.3833 299.1605 -165.3929 -135.2886 762081.1726 22.6279 22.6043 PRESSURE: 4862800 -253.381 109.966 -212.755 109.966 -91.7154 -40.2478 -212.754 -40.2483 -54.3002 GPRESSURE: 4862800 -236.832 -19.1552 -205.161 226.273 -1.43952 -53.5686 -282.49 -30.7266 -88.3408 PRESSAVG: 4862800 21.5672 -68.2739 -69.3894 -68.274 -14.5827 -86.9835 -69.3894 -86.9834 -5.50788 GPRESSAVG: 4862800 21.4911 -69.4485 -70.7402 -68.2601 -15.398 -87.8815 -66.3153 -85.415 -5.03227 TIMING: 4862800 CPU: 15671.2, 0.0031386/step Wall: 15671.2, 0.0031386/step, 0.119615 hours remaining, 235.285156 MB of memory in use. ENERGY: 4862800 3991.0606 20418.4168 14427.8674 258.2842 -203400.6262 2319.2154 0.0000 0.0000 52128.6667 -109857.1151 299.5842 -161985.7818 -109498.9601 298.5040 -133.1323 -108.8706 761186.0964 0.4922 0.3536 PRESSURE: 4863000 21.4942 -123.411 -155.598 -123.41 -187.881 -115.634 -155.599 -115.633 279.839 GPRESSURE: 4863000 176.979 -65.4746 -159.493 -208.113 -220.038 -104.207 -72.3264 -69.4824 262.877 PRESSAVG: 4863000 -16.9758 -39.8003 26.4538 -39.8003 29.5612 -23.4974 26.4538 -23.4975 27.7492 GPRESSAVG: 4863000 -16.6656 -38.2817 27.4718 -40.3375 30.043 -22.0152 23.8207 -23.7208 26.7127 TIMING: 4863000 CPU: 15671.8, 0.00312994/step Wall: 15671.8, 0.00312994/step, 0.119112 hours remaining, 235.285156 MB of memory in use. ENERGY: 4863000 4044.3906 20247.8623 14487.8003 254.1512 -203490.3211 2457.0154 0.0000 0.0000 52090.0383 -109909.0631 299.3622 -161999.1014 -109540.0410 298.4617 37.8174 73.2728 761287.1293 13.4449 13.3634 PRESSURE: 4863200 -394.835 -70.6834 -103.255 -70.6843 -550.861 -110.384 -103.255 -110.384 200.752 GPRESSURE: 4863200 -259.935 30.4178 -134.399 -118.874 -498.62 -48.6235 -125.526 -122.859 115.491 PRESSAVG: 4863200 34.6007 -44.9581 -32.3357 -44.9581 46.9234 -60.3934 -32.3357 -60.3933 -5.39032 GPRESSAVG: 4863200 34.5548 -45.8332 -32.7467 -44.474 46.2521 -61.023 -29.1803 -60.9296 -4.15232 TIMING: 4863200 CPU: 15672.4, 0.00312938/step Wall: 15672.4, 0.00312938/step, 0.118916 hours remaining, 235.285156 MB of memory in use. ENERGY: 4863200 3966.6659 20320.2497 14479.5365 250.7653 -203146.7714 2337.2886 0.0000 0.0000 51945.6830 -109846.5823 298.5326 -161792.2653 -109474.2861 298.5643 -248.3143 -214.3549 761474.3157 25.3779 25.5515 PRESSURE: 4863400 -33.4979 234.814 -26.9664 234.814 -39.4068 -99.1529 -26.9664 -99.152 -340.808 GPRESSURE: 4863400 19.2427 69.9129 9.14364 175.227 -18.3408 -101.495 -22.5618 -216.127 -321.005 PRESSAVG: 4863400 22.9459 -35.9454 -27.6917 -35.9453 -33.7171 -32.7334 -27.6916 -32.7334 1.00182 GPRESSAVG: 4863400 22.9913 -35.736 -26.9065 -37.4688 -32.3672 -32.8338 -29.1125 -33.1854 0.441999 TIMING: 4863400 CPU: 15673, 0.00312194/step Wall: 15673, 0.00312194/step, 0.11846 hours remaining, 235.285156 MB of memory in use. ENERGY: 4863400 4039.3393 20387.4538 14546.8987 250.8475 -203354.8695 2478.7758 0.0000 0.0000 51910.1869 -109741.3675 298.3286 -161651.5545 -109385.3630 298.5069 -137.9043 -106.7011 759963.5069 -3.2565 -2.9779 PRESSURE: 4863600 -101.182 203.31 -106.791 203.31 210.668 -10.1998 -106.792 -10.2011 151.169 GPRESSURE: 4863600 -24.7673 165.854 -92.0517 218.686 140.261 -91.7638 -18.7218 52.7798 221.787 PRESSAVG: 4863600 32.9541 -49.4981 20.0887 -49.498 -35.1668 -25.1797 20.0886 -25.1797 -17.2658 GPRESSAVG: 4863600 32.8607 -49.6483 19.4111 -49.2371 -35.486 -25.1387 19.6654 -24.4542 -17.0436 TIMING: 4863600 CPU: 15673.7, 0.00311712/step Wall: 15673.7, 0.00311712/step, 0.118104 hours remaining, 235.285156 MB of memory in use. ENERGY: 4863600 4121.2829 20550.0144 14482.3891 266.9730 -203588.9144 2600.9995 0.0000 0.0000 51966.6888 -109600.5666 298.6533 -161567.2555 -109249.2036 298.9946 86.8854 112.4271 760265.5950 -6.4928 -6.5563 PRESSURE: 4863800 -128.38 -88.983 -45.7842 -88.983 -43.8685 -37.1904 -45.7841 -37.1897 192.772 GPRESSURE: 4863800 -133.793 -3.5913 -56.7532 -129.819 56.3384 9.6354 -31.7523 11.5055 187.288 PRESSAVG: 4863800 48.0893 -73.948 1.81841 -73.948 -1.95456 -50.7761 1.81835 -50.7762 -2.95767 GPRESSAVG: 4863800 47.6023 -73.6741 1.1662 -75.4021 -1.23803 -50.8139 2.4745 -50.116 -2.75011 TIMING: 4863800 CPU: 15674.3, 0.00312238/step Wall: 15674.3, 0.00312238/step, 0.11813 hours remaining, 235.285156 MB of memory in use. ENERGY: 4863800 4007.6885 20350.2920 14540.2149 237.7350 -203254.6339 2358.0966 0.0000 0.0000 52114.7939 -109645.8130 299.5044 -161760.6069 -109275.5204 299.3532 6.8411 36.6112 759764.2046 14.3923 14.5381 PRESSURE: 4864000 49.7243 25.2397 48.5953 25.2397 24.9573 -25.6021 48.596 -25.603 -181.961 GPRESSURE: 4864000 99.8909 -92.8381 44.1318 12.0188 49.1357 -95.5238 -86.2294 -2.92867 -192.285 PRESSAVG: 4864000 9.13044 -83.4906 12.775 -83.4906 24.5255 -87.5889 12.775 -87.5889 -4.61962 GPRESSAVG: 4864000 9.79332 -82.4116 13.4389 -81.7985 24.5664 -88.0658 12.8105 -88.8871 -5.81676 TIMING: 4864000 CPU: 15674.9, 0.00310692/step Wall: 15674.9, 0.00310692/step, 0.117372 hours remaining, 235.285156 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: 4864000 3952.9884 20474.6190 14509.7028 255.0098 -203266.2858 2268.7267 0.0000 0.0000 52115.8047 -109689.4345 299.5102 -161805.2391 -109322.2296 299.4814 -35.7597 -14.4195 761046.1641 9.6788 9.5143 PRESSURE: 4864200 97.3411 -190.865 -130.501 -190.866 -83.724 155.19 -130.502 155.19 119.812 GPRESSURE: 4864200 150.279 -255.599 -104.855 -193.33 -33.6427 154.92 -116.585 44.5805 116.682 PRESSAVG: 4864200 51.2996 -69.5886 -8.27359 -69.5887 -10.7143 -29.6748 -8.27361 -29.6748 -17.4767 GPRESSAVG: 4864200 50.8372 -70.3884 -7.90702 -69.1496 -11.7024 -29.668 -9.33266 -31.5371 -16.043 TIMING: 4864200 CPU: 15675.5, 0.00312414/step Wall: 15675.5, 0.00312414/step, 0.11785 hours remaining, 235.285156 MB of memory in use. ENERGY: 4864200 3978.7640 20646.3859 14553.0384 258.9284 -203493.7167 2581.5439 0.0000 0.0000 51665.1735 -109809.8826 296.9205 -161475.0561 -109466.1446 298.8611 44.4765 77.7727 761540.7041 7.7029 7.6972 LDB: ============= START OF LOAD BALANCING ============== 15688 LDB: ============== END OF LOAD BALANCING =============== 15688 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15688 LDB: ============= START OF LOAD BALANCING ============== 15688.3 LDB: Largest compute 7056 load 0.032144 is 16.4% of average load 0.195552 LDB: Average compute 0.004360 is 2.2% of average load 0.195552 LDB: TIME 15688.3 LOAD: AVG 0.195552 MAX 0.212138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 15688.3 LOAD: AVG 0.195552 MAX 0.212138 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: TIME 15688.3 LOAD: AVG 0.195552 MAX 0.212138 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: ============== END OF LOAD BALANCING =============== 15688.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15688.3 PRESSURE: 4864400 -23.8162 55.6891 -2.05314 55.6882 67.8754 30.3081 -2.05401 30.3077 163.853 GPRESSURE: 4864400 50.3966 4.53894 23.3613 -34.2136 100.521 -37.9285 -83.6793 12.32 130.817 PRESSAVG: 4864400 42.5728 -67.1822 -54.7829 -67.1822 -74.0151 -29.8985 -54.7829 -29.8985 24.7822 GPRESSAVG: 4864400 41.9347 -66.617 -55.5073 -68.221 -72.5475 -29.1112 -55.0483 -30.168 23.6243 TIMING: 4864400 CPU: 15676.2, 0.00319982/step Wall: 15676.2, 0.00319982/step, 0.120526 hours remaining, 234.625000 MB of memory in use. ENERGY: 4864400 4009.8622 20542.7734 14475.0819 265.3627 -203473.2479 2704.5707 0.0000 0.0000 51869.2622 -109606.3347 298.0934 -161475.5969 -109242.3479 299.2322 69.3042 93.9115 762063.7016 -2.2200 -2.3295 PRESSURE: 4864600 -322.374 1.32263 108.811 1.32263 -177.587 -265.291 108.811 -265.291 -298.48 GPRESSURE: 4864600 -253.725 -50.937 157.313 8.00002 -217.523 -255.539 -23.5613 -164.836 -246.322 PRESSAVG: 4864600 35.1958 11.0144 -26.1857 11.0145 -16.8842 3.05266 -26.1857 3.05266 8.5356 GPRESSAVG: 4864600 36.032 10.5283 -23.9148 12.6195 -18.2237 3.16841 -26.8877 6.74597 8.96562 TIMING: 4864600 CPU: 15676.8, 0.00314301/step Wall: 15676.8, 0.00314301/step, 0.118212 hours remaining, 234.828125 MB of memory in use. ENERGY: 4864600 3992.2266 20643.4859 14492.4811 236.0828 -203245.9749 2133.2960 0.0000 0.0000 52028.5156 -109719.8869 299.0086 -161748.4025 -109358.1738 298.5242 -266.1470 -239.1901 762051.6575 8.9491 8.9246 PRESSURE: 4864800 -95.9088 -124.399 67.5534 -124.4 217.796 -127.382 67.5529 -127.382 -118.984 GPRESSURE: 4864800 -83.5209 -53.2101 -14.678 -147.015 311.867 -103.988 47.9323 -176.043 -133.373 PRESSAVG: 4864800 -33.3843 -29.2393 -11.8072 -29.2394 21.1406 2.78925 -11.8072 2.78923 5.40444 GPRESSAVG: 4864800 -34.1227 -31.2457 -12.198 -30.1733 22.0015 1.33612 -12.0711 2.02963 5.2821 TIMING: 4864800 CPU: 15677.4, 0.00311585/step Wall: 15677.4, 0.00311585/step, 0.117017 hours remaining, 234.828125 MB of memory in use. ENERGY: 4864800 4057.3182 20382.1296 14467.6431 256.5349 -203794.3580 2821.3672 0.0000 0.0000 52000.0479 -109809.3172 298.8450 -161809.3650 -109441.4121 299.1522 0.9678 31.6577 761999.3221 -2.2798 -2.2797 PRESSURE: 4865000 -417.795 -20.0942 -82.0694 -20.0933 -132.84 43.6004 -82.0694 43.6015 -256.544 GPRESSURE: 4865000 -353.898 60.8396 -75.7845 -56.8985 -112.302 107.639 -44.9232 -180.485 -255.012 PRESSAVG: 4865000 -41.2327 -21.9106 44.4152 -21.9105 4.27887 20.8078 44.4151 20.8077 -21.5122 GPRESSAVG: 4865000 -40.3366 -18.3091 41.8877 -22.7663 4.04787 20.7903 46.247 19.6671 -21.4473 TIMING: 4865000 CPU: 15678, 0.00311341/step Wall: 15678, 0.00311341/step, 0.116753 hours remaining, 234.828125 MB of memory in use. ENERGY: 4865000 4137.9853 20612.6033 14472.7190 259.4017 -203703.2544 2587.5977 0.0000 0.0000 51973.1509 -109659.7966 298.6904 -161632.9475 -109311.7384 299.2432 -269.0597 -240.4041 762847.6030 -19.4887 -19.2454 PRESSURE: 4865200 -61.8831 -374.748 252.977 -374.748 -64.5121 -267.147 252.977 -267.146 49.3045 GPRESSURE: 4865200 55.5443 -348.482 249.317 -230.503 -71.8608 -259.098 253.011 -133.616 3.80191 PRESSAVG: 4865200 74.0384 -30.935 23.9263 -30.935 -58.4986 -1.9205 23.9263 -1.92048 -39.7818 GPRESSAVG: 4865200 73.6698 -33.4545 23.4114 -29.3989 -58.8021 -1.32792 23.2439 -0.593927 -39.0349 TIMING: 4865200 CPU: 15678.7, 0.00311586/step Wall: 15678.7, 0.00311586/step, 0.116672 hours remaining, 234.828125 MB of memory in use. ENERGY: 4865200 3969.5179 20464.0122 14472.8666 272.2379 -203242.9529 2522.6264 0.0000 0.0000 51944.9789 -109596.7130 298.5285 -161541.6919 -109233.8848 299.3462 -25.6969 -4.1715 761695.3105 -8.0807 -8.0557 PRESSURE: 4865400 -508.711 -3.77726 -12.4028 -3.77738 -435.584 -97.0447 -12.4012 -97.0456 -268.715 GPRESSURE: 4865400 -498.903 -18.3237 -67.7884 -26.6536 -369.965 -29.5151 40.3753 -35.4665 -260.257 PRESSAVG: 4865400 -4.01603 -61.8064 10.9111 -61.8064 -16.4328 49.2036 10.9111 49.2036 34.8691 GPRESSAVG: 4865400 -4.45831 -61.5388 13.8097 -63.5751 -15.0967 50.6543 12.5241 50.4219 34.8026 TIMING: 4865400 CPU: 15679.3, 0.00311661/step Wall: 15679.3, 0.00311661/step, 0.116527 hours remaining, 234.898438 MB of memory in use. ENERGY: 4865400 4040.4084 20600.7361 14498.4429 262.9081 -202740.4830 1982.7283 0.0000 0.0000 51826.1415 -109529.1177 297.8455 -161355.2592 -109173.6590 299.1004 -404.3364 -376.3753 763692.8234 4.8067 5.0825 PRESSURE: 4865600 -66.1469 -116.349 -22.2932 -116.349 -97.7786 -251.981 -22.2928 -251.982 -55.4079 GPRESSURE: 4865600 -67.976 -76.3938 -30.334 -87.7371 -55.0214 -231.874 -76.0855 -232.12 -20.4121 PRESSAVG: 4865600 -15.71 -78.3371 -7.31863 -78.3371 14.5916 -27.4354 -7.31862 -27.4355 -10.7976 GPRESSAVG: 4865600 -15.0135 -74.8156 -7.66695 -80.48 13.3529 -27.306 -9.0954 -27.7298 -10.8737 TIMING: 4865600 CPU: 15679.9, 0.00313858/step Wall: 15679.9, 0.00313858/step, 0.117174 hours remaining, 234.898438 MB of memory in use. ENERGY: 4865600 4027.1795 20420.2135 14452.7259 254.2575 -203715.0618 2851.6704 0.0000 0.0000 52009.7455 -109699.2696 298.9007 -161709.0151 -109328.2008 299.0339 -73.1111 -47.8032 761736.2945 -3.9720 -4.1781 PRESSURE: 4865800 89.4608 -192.499 83.5549 -192.499 -294.488 195.43 83.555 195.428 -61.4629 GPRESSURE: 4865800 93.6724 -152.469 43.711 -203.152 -260.241 140.275 72.7342 204.037 -8.52155 PRESSAVG: 4865800 -11.5694 -59.1329 -84.3708 -59.1328 8.58388 -9.84242 -84.3707 -9.84238 -6.70205 GPRESSAVG: 4865800 -11.9362 -62.4862 -86.3934 -56.1188 9.08556 -10.7689 -83.3809 -10.1711 -6.69104 TIMING: 4865800 CPU: 15680.6, 0.00313736/step Wall: 15680.6, 0.00313736/step, 0.116954 hours remaining, 234.898438 MB of memory in use. ENERGY: 4865800 3960.9240 20596.0160 14385.0321 260.8707 -202846.6073 2354.3080 0.0000 0.0000 52166.2426 -109123.2139 299.8001 -161289.4566 -108757.6524 299.3985 -88.8300 -58.3633 762407.0187 -3.2292 -3.1806 PRESSURE: 4866000 285.157 -11.7595 244.838 -11.7588 -277.461 -171.164 244.838 -171.164 -132.012 GPRESSURE: 4866000 215.962 -66.2502 249.318 56.6263 -235.268 -106.842 112.293 -85.6031 -44.1136 PRESSAVG: 4866000 27.6576 -43.8629 -22.4596 -43.863 -32.4128 22.3258 -22.4596 22.3259 -2.59608 GPRESSAVG: 4866000 26.8589 -42.8791 -20.8233 -42.3627 -32.3674 23.3181 -22.6554 22.0732 -2.40362 TIMING: 4866000 CPU: 15681.2, 0.00313183/step Wall: 15681.2, 0.00313183/step, 0.116574 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4866000 3935.4996 20549.2421 14427.8015 234.5421 -203161.8913 2371.3663 0.0000 0.0000 52337.9146 -109305.5251 300.7867 -161643.4397 -108940.9465 299.4077 -41.4388 -21.1396 760791.6584 -2.4504 -2.6374 PRESSURE: 4866200 72.1579 -227.213 -127.939 -227.213 -35.3046 53.0013 -127.939 53.0014 91.1289 GPRESSURE: 4866200 71.5124 -101.932 -206.292 -166.275 59.4046 43.8131 86.4733 75.3003 83.5997 PRESSAVG: 4866200 -19.1016 -32.5776 -26.3119 -32.5776 21.3954 -30.7877 -26.3119 -30.7877 15.1615 GPRESSAVG: 4866200 -18.9264 -33.0957 -26.1735 -32.6245 21.2016 -31.0095 -26.9814 -31.1181 14.7997 TIMING: 4866200 CPU: 15681.8, 0.00312442/step Wall: 15681.8, 0.00312442/step, 0.116124 hours remaining, 235.101562 MB of memory in use. ENERGY: 4866200 4023.4924 20472.4849 14394.6586 264.1855 -202813.4609 2253.1478 0.0000 0.0000 52137.3272 -109268.1646 299.6339 -161405.4918 -108915.4159 299.2226 42.6607 71.5056 761925.1550 5.8184 5.6916 PRESSURE: 4866400 -138.419 175.611 58.9568 175.612 -38.8639 -116.668 58.9563 -116.668 20.764 GPRESSURE: 4866400 -137.566 195.44 115.028 117.414 35.608 -130.541 75.7441 -138.732 37.9259 PRESSAVG: 4866400 -13.9601 -51.2965 -16.3255 -51.2964 21.8386 32.0603 -16.3254 32.0603 -23.4101 GPRESSAVG: 4866400 -13.8605 -50.4533 -17.2825 -53.2503 21.0077 30.4605 -15.4227 33.2703 -22.5312 TIMING: 4866400 CPU: 15682.4, 0.0031224/step Wall: 15682.4, 0.0031224/step, 0.115876 hours remaining, 235.101562 MB of memory in use. ENERGY: 4866400 3987.9990 20569.9337 14412.5661 258.1321 -203259.2606 2630.0419 0.0000 0.0000 52263.2493 -109137.3384 300.3576 -161400.5878 -108768.1439 299.3956 -52.1731 -21.3439 762926.8146 -5.1772 -5.1280 PRESSURE: 4866600 -600.569 51.5116 98.4223 51.5122 -87.8612 195.679 98.4232 195.68 -43.6864 GPRESSURE: 4866600 -512.327 -19.9767 112.408 37.0679 -13.6801 220.81 72.5131 221.789 -104.285 PRESSAVG: 4866600 -67.7407 35.1336 -16.4561 35.1336 -2.18485 -28.2684 -16.4562 -28.2685 -4.44321 GPRESSAVG: 4866600 -66.4123 35.8764 -16.5953 32.9939 -2.38062 -27.8332 -15.4896 -28.1784 -5.62975 TIMING: 4866600 CPU: 15683, 0.00310187/step Wall: 15683, 0.00310187/step, 0.114941 hours remaining, 235.101562 MB of memory in use. ENERGY: 4866600 3986.0889 20513.4051 14429.0649 242.5111 -203132.2022 2579.5527 0.0000 0.0000 52201.7974 -109179.7821 300.0044 -161381.5795 -108814.5055 299.5906 -244.0389 -210.0975 763444.3294 -24.7896 -24.8075 PRESSURE: 4866800 -58.9065 -119.227 -147.419 -119.227 -158.904 -83.7896 -147.419 -83.7896 -576.902 GPRESSURE: 4866800 -77.9859 -113.911 -147.403 -77.158 -181.409 -143.124 -90.1083 -74.0758 -448.249 PRESSAVG: 4866800 23.3982 -69.1218 -0.715584 -69.1219 -23.2422 -6.19001 -0.715598 -6.19012 8.80291 GPRESSAVG: 4866800 22.0485 -70.2513 0.315015 -67.4761 -24.5953 -4.29519 -1.56345 -7.23136 10.7666 TIMING: 4866800 CPU: 15683.7, 0.00312434/step Wall: 15683.7, 0.00312434/step, 0.115601 hours remaining, 235.101562 MB of memory in use. ENERGY: 4866800 3947.1422 20506.5428 14449.2658 225.3999 -203181.8196 2631.8843 0.0000 0.0000 52002.3752 -109419.2093 298.8584 -161421.5845 -109057.3497 299.3023 -264.9044 -235.8816 762154.8775 2.9863 2.7399 PRESSURE: 4867000 -335.147 34.4497 156.941 34.4501 -434.465 -66.6129 156.942 -66.6131 -297.184 GPRESSURE: 4867000 -306.279 -21.4516 162.918 101.198 -364.529 -74.6958 24.3845 64.5321 -325.322 PRESSAVG: 4867000 13.6955 -82.3052 3.01787 -82.3053 0.131021 -32.8881 3.01784 -32.8881 11.752 GPRESSAVG: 4867000 15.1895 -83.8435 0.883326 -82.2401 2.4119 -35.0345 4.33216 -32.7479 8.16331 TIMING: 4867000 CPU: 15684.3, 0.00311538/step Wall: 15684.3, 0.00311538/step, 0.115096 hours remaining, 235.101562 MB of memory in use. ENERGY: 4867000 4001.8986 20495.2669 14576.7872 237.8261 -202894.4082 2117.1854 0.0000 0.0000 52022.0315 -109443.4124 298.9713 -161465.4440 -109079.7496 299.0467 -355.5986 -332.0433 760775.5883 8.5262 8.5882 PRESSURE: 4867200 -253.892 -28.5844 33.0098 -28.5839 -314.185 83.5625 33.0102 83.5629 -61.0142 GPRESSURE: 4867200 -232.599 37.8049 -21.4995 -2.65156 -249.047 151.149 65.6614 188.2 -60.3958 PRESSAVG: 4867200 17.7845 -48.2665 9.81712 -48.2665 -13.9067 27.1317 9.81713 27.1317 0.85475 GPRESSAVG: 4867200 17.0678 -47.8805 10.1193 -47.745 -14.4646 27.5534 8.76443 27.8402 1.6769 TIMING: 4867200 CPU: 15684.9, 0.00311452/step Wall: 15684.9, 0.00311452/step, 0.114891 hours remaining, 235.101562 MB of memory in use. ENERGY: 4867200 3895.6284 20538.8661 14525.0801 240.4584 -202863.7126 2392.1252 0.0000 0.0000 51661.9489 -109609.6055 296.9019 -161271.5544 -109245.0964 298.6333 -209.6971 -180.6806 763736.6692 1.5775 1.4267 PRESSURE: 4867400 196.289 -140.515 -8.00211 -140.516 134.902 219.905 -8.00175 219.904 -259.465 GPRESSURE: 4867400 290.611 -76.3188 52.9024 -89.0197 51.6463 262.019 -143.09 125.097 -178.549 PRESSAVG: 4867400 48.8233 -69.7278 -12.3611 -69.7278 -52.9219 4.986 -12.3612 4.9861 -2.30669 GPRESSAVG: 4867400 49.7986 -69.0797 -11.0493 -69.2587 -53.8702 6.01791 -12.6192 2.85404 -2.0945 TIMING: 4867400 CPU: 15685.5, 0.00310265/step Wall: 15685.5, 0.00310265/step, 0.114281 hours remaining, 235.101562 MB of memory in use. ENERGY: 4867400 3990.8905 20421.5016 14472.5906 238.0257 -203275.2816 2592.4657 0.0000 0.0000 51896.8263 -109662.9812 298.2518 -161559.8075 -109300.1992 298.3527 23.9089 54.5693 761106.1023 -2.1351 -2.0554 PRESSURE: 4867600 140.187 73.4719 140.608 73.4716 274.067 -51.1575 140.608 -51.1576 79.9257 GPRESSURE: 4867600 104.165 34.0948 114.851 44.4576 344.089 -82.9491 101.073 84.9496 131.694 PRESSAVG: 4867600 8.84087 -88.3217 36.4881 -88.3217 -15.6395 1.82189 36.488 1.82187 -11.278 GPRESSAVG: 4867600 8.84071 -88.5059 36.3983 -88.499 -15.274 1.91199 36.7383 3.18426 -11.2029 TIMING: 4867600 CPU: 15686.2, 0.0031147/step Wall: 15686.2, 0.0031147/step, 0.114552 hours remaining, 235.101562 MB of memory in use. ENERGY: 4867600 3881.8600 20389.7379 14488.5501 233.6371 -202890.4634 2143.5299 0.0000 0.0000 52102.5403 -109650.6081 299.4340 -161753.1484 -109283.8905 298.4337 164.7266 193.3160 760844.7084 -6.0255 -5.8787 PRESSURE: 4867800 93.6989 -80.7907 -56.8544 -80.7908 40.1483 -142.362 -56.8558 -142.361 21.5438 GPRESSURE: 4867800 112.667 -79.9269 -21.5732 -114.529 96.3812 -262.429 -133.165 -87.4747 32.3694 PRESSAVG: 4867800 39.8876 -66.1417 20.5585 -66.1417 -44.1694 17.167 20.5585 17.167 8.19772 GPRESSAVG: 4867800 38.2652 -65.8326 20.3754 -66.9227 -43.3214 16.6275 20.6195 16.0005 8.38262 TIMING: 4867800 CPU: 15686.8, 0.00310345/step Wall: 15686.8, 0.00310345/step, 0.113966 hours remaining, 235.101562 MB of memory in use. ENERGY: 4867800 3928.3007 20590.0486 14446.7577 265.8638 -203427.4823 2607.4421 0.0000 0.0000 51969.6571 -109619.4123 298.6703 -161589.0694 -109260.6071 298.5829 51.7970 80.4724 760782.9466 1.3053 1.1088 PRESSURE: 4868000 66.054 -16.8758 -177.872 -16.8761 -369.839 -144.226 -177.872 -144.226 -678.688 GPRESSURE: 4868000 78.5856 -126.621 -273.2 -91.2507 -331.93 -122.643 -151.449 -124.859 -644.356 PRESSAVG: 4868000 66.9522 -62.5677 10.8289 -62.5678 -46.9148 -1.3673 10.8289 -1.36736 -9.1952 GPRESSAVG: 4868000 68.5251 -65.0714 10.31 -61.5397 -48.8305 -0.706717 11.8588 -0.281094 -8.70038 TIMING: 4868000 CPU: 15687.4, 0.00310696/step Wall: 15687.4, 0.00310696/step, 0.113922 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4868000 4005.0417 20444.4922 14555.8879 254.1398 -203346.1651 2367.0280 0.0000 0.0000 52232.8311 -109486.7444 300.1828 -161719.5755 -109122.5388 299.0775 -327.4911 -299.2333 761036.0983 3.6141 3.6647 PRESSURE: 4868200 -48.5939 -235.37 84.5937 -235.371 89.2483 -52.9113 84.5943 -52.9106 -157.403 GPRESSURE: 4868200 -20.4005 -154.287 140.178 -253.034 176.174 -135.901 154.227 12.3546 -180.119 PRESSAVG: 4868200 52.147 -69.533 18.9328 -69.533 -49.0263 -21.4009 18.9328 -21.4008 -25.1983 GPRESSAVG: 4868200 51.4122 -69.922 17.9291 -71.0308 -48.0204 -22.741 20.3873 -22.9061 -25.5937 TIMING: 4868200 CPU: 15688, 0.0031136/step Wall: 15688, 0.0031136/step, 0.113992 hours remaining, 235.101562 MB of memory in use. ENERGY: 4868200 4022.4198 20409.5029 14486.8972 235.0096 -203560.1846 2680.9320 0.0000 0.0000 52098.7571 -109626.6660 299.4123 -161725.4231 -109262.5463 299.0001 -38.9161 -8.1150 761879.0224 -7.3592 -7.4006 LDB: ============= START OF LOAD BALANCING ============== 15700.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15700.4 LDB: =============== DONE WITH MIGRATION ================ 15700.4 LDB: ============= START OF LOAD BALANCING ============== 15700.8 LDB: Largest compute 7056 load 0.032589 is 16.7% of average load 0.195615 LDB: Average compute 0.004365 is 2.2% of average load 0.195615 LDB: TIME 15700.8 LOAD: AVG 0.195615 MAX 0.213483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 15700.8 LOAD: AVG 0.195615 MAX 0.213483 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 15700.8 LOAD: AVG 0.195615 MAX 0.213483 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 15700.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15700.8 PRESSURE: 4868400 94.8679 -64.3247 77.7312 -64.3236 -513.897 215.529 77.731 215.529 229.156 GPRESSURE: 4868400 -32.8242 -7.35022 68.4909 6.34087 -401.832 231.702 -13.8897 189.738 356.294 PRESSAVG: 4868400 69.9373 -91.6798 28.605 -91.6798 -69.6557 21.4108 28.605 21.4108 4.52227 GPRESSAVG: 4868400 70.0137 -90.7899 28.4355 -90.449 -69.489 23.1692 29.6596 21.6866 5.26202 TIMING: 4868400 CPU: 15688.7, 0.00320059/step Wall: 15688.7, 0.00320059/step, 0.116999 hours remaining, 236.289062 MB of memory in use. ENERGY: 4868400 3967.9173 20561.0636 14519.4466 239.4842 -203783.3504 2844.2679 0.0000 0.0000 52097.8740 -109553.2967 299.4072 -161651.1707 -109197.7381 299.1993 -63.2911 -26.1206 760738.6080 1.6013 1.9289 PRESSURE: 4868600 -105.179 -38.5985 59.4145 -38.5986 -305.646 -91.6758 59.414 -91.6755 220.403 GPRESSURE: 4868600 -65.0933 -33.9237 61.9417 -22.2394 -210.714 -47.0708 17.1818 38.3173 151.852 PRESSAVG: 4868600 97.8654 -69.6689 30.9401 -69.6688 -109.388 52.2588 30.9401 52.2588 5.50783 GPRESSAVG: 4868600 97.6112 -68.7156 31.057 -69.1457 -109.331 52.2921 28.4887 52.4619 4.89155 TIMING: 4868600 CPU: 15689.3, 0.00310997/step Wall: 15689.3, 0.00310997/step, 0.113514 hours remaining, 236.359375 MB of memory in use. ENERGY: 4868600 3898.0824 20505.0129 14493.7383 252.8621 -203397.1918 2513.7193 0.0000 0.0000 52126.8091 -109606.9677 299.5735 -161733.7768 -109234.8600 298.8398 -63.4737 -41.3184 760002.2320 -2.0048 -2.2760 PRESSURE: 4868800 -197.778 -118.849 -196.276 -118.849 -137.932 -2.22417 -196.275 -2.22579 186.399 GPRESSURE: 4868800 -207.979 -33.2494 -173.536 -164.557 -145.823 13.0975 -181.034 31.4059 285.225 PRESSAVG: 4868800 32.0996 -50.08 -29.5453 -50.0799 -29.7903 14.8491 -29.5454 14.849 -1.2237 GPRESSAVG: 4868800 32.3685 -49.4177 -28.4067 -50.9872 -30.625 14.3633 -29.6167 16.7101 -0.251952 TIMING: 4868800 CPU: 15689.9, 0.00310963/step Wall: 15689.9, 0.00310963/step, 0.113329 hours remaining, 236.359375 MB of memory in use. ENERGY: 4868800 3951.9863 20318.5961 14452.9004 254.5061 -203390.7124 2499.6024 0.0000 0.0000 52384.0835 -109529.0375 301.0520 -161913.1211 -109161.9108 299.2385 -49.7701 -22.8592 761004.6679 0.3619 0.4972 PRESSURE: 4869000 200.214 -50.6872 104.89 -50.687 -273.478 -242.318 104.889 -242.318 -101.524 GPRESSURE: 4869000 94.0044 -14.1656 103.146 -54.0107 -55.7015 -253.882 -71.5597 -136.78 -119.058 PRESSAVG: 4869000 -16.1305 33.2583 -28.0276 33.2584 -6.21534 6.4281 -28.0276 6.42813 -11.1612 GPRESSAVG: 4869000 -15.9129 33.2442 -27.9609 33.6636 -6.34589 6.28137 -27.0351 5.15256 -10.8649 TIMING: 4869000 CPU: 15690.5, 0.00310524/step Wall: 15690.5, 0.00310524/step, 0.112996 hours remaining, 236.359375 MB of memory in use. ENERGY: 4869000 4023.2543 20391.5172 14435.5839 240.5014 -203315.1588 2505.7852 0.0000 0.0000 52133.7517 -109584.7651 299.6134 -161718.5168 -109219.9856 298.8712 -58.2628 -26.9183 760546.9096 -11.1690 -11.0412 PRESSURE: 4869200 107.522 -1.63424 217.735 -1.63397 -49.4301 375.451 217.735 375.45 -151.922 GPRESSURE: 4869200 138.165 -159.707 206.634 -41.6004 15.3342 311.358 147.148 323.451 -148.103 PRESSAVG: 4869200 29.2976 4.28919 29.0515 4.2892 -8.44208 12.0004 29.0515 12.0005 8.52018 GPRESSAVG: 4869200 30.0153 3.60083 27.4189 3.56946 -8.60132 10.4329 27.8784 12.9133 7.84205 TIMING: 4869200 CPU: 15691.2, 0.00310461/step Wall: 15691.2, 0.00310461/step, 0.112801 hours remaining, 236.359375 MB of memory in use. ENERGY: 4869200 4076.9070 20465.4934 14434.9601 226.3737 -203388.1506 2560.3540 0.0000 0.0000 52229.3165 -109394.7460 300.1626 -161624.0624 -109029.0314 299.5421 -31.2767 1.7986 758972.6227 9.7919 9.7520 PRESSURE: 4869400 -23.8341 -193.258 -62.6784 -193.258 -87.3333 -174.702 -62.6784 -174.704 101.146 GPRESSURE: 4869400 -18.9536 -194.059 -2.93448 -186.436 26.9659 -207.177 -113.328 -109.818 56.4194 PRESSAVG: 4869400 40.3858 -53.7188 -5.03469 -53.7188 15.3453 -37.5862 -5.03469 -37.5861 -7.69754 GPRESSAVG: 4869400 40.5486 -54.4177 -2.22743 -52.9791 15.6844 -36.4 -5.21762 -38.8092 -8.49756 TIMING: 4869400 CPU: 15691.8, 0.003126/step Wall: 15691.8, 0.00312601/step, 0.113405 hours remaining, 236.359375 MB of memory in use. ENERGY: 4869400 4071.0505 20650.9381 14446.7754 251.0386 -202908.0904 2079.2060 0.0000 0.0000 51822.4168 -109586.6651 297.8241 -161409.0818 -109223.9419 299.2904 -3.3406 21.4772 760839.8016 16.0112 15.9118 PRESSURE: 4869600 4.00649 20.0239 -8.17254 20.0237 81.5657 72.6221 -8.17348 72.6228 -16.0223 GPRESSURE: 4869600 33.7535 67.8896 21.783 22.6262 76.0424 112.552 101.405 50.948 42.1716 PRESSAVG: 4869600 10.1504 -17.8181 5.30618 -17.818 -9.69445 -0.199321 5.30613 -0.199351 -19.4719 GPRESSAVG: 4869600 9.2613 -16.0673 5.14024 -17.9406 -7.76152 1.05303 6.05575 -0.520127 -19.7157 TIMING: 4869600 CPU: 15692.4, 0.00313393/step Wall: 15692.4, 0.00313393/step, 0.113518 hours remaining, 236.359375 MB of memory in use. ENERGY: 4869600 3964.1043 20452.6400 14467.4786 257.6994 -203103.1625 2296.5581 0.0000 0.0000 51884.2252 -109780.4569 298.1794 -161664.6821 -109420.9014 298.7706 23.1833 50.6559 758507.9149 -6.3387 -6.0720 PRESSURE: 4869800 -68.958 -134.272 -104.728 -134.273 -145.366 23.1112 -104.729 23.1109 -43.1252 GPRESSURE: 4869800 -65.2011 -138.514 -41.2549 -178.894 -54.9693 68.4454 -121.009 70.7128 -90.3473 PRESSAVG: 4869800 21.461 -64.9306 29.3346 -64.9306 -32.9056 -3.63535 29.3345 -3.63543 2.21756 GPRESSAVG: 4869800 22.303 -64.1065 29.5789 -64.5671 -34.3058 -5.10724 27.9934 -2.1561 2.93488 TIMING: 4869800 CPU: 15693, 0.00312167/step Wall: 15693, 0.00312167/step, 0.1129 hours remaining, 236.359375 MB of memory in use. ENERGY: 4869800 3979.0250 20429.3891 14423.6335 230.1403 -203092.9069 2304.7556 0.0000 0.0000 52060.9412 -109665.0221 299.1949 -161725.9634 -109305.8243 298.6387 -85.8164 -70.1726 760166.8189 -3.0757 -3.0226 PRESSURE: 4870000 115.359 -172.478 24.5418 -172.478 366.784 248.246 24.5422 248.246 243.233 GPRESSURE: 4870000 201.448 -144.455 62.9804 -119.954 337.884 219.987 -39.9868 93.3952 280.86 PRESSAVG: 4870000 35.7339 -5.18371 -62.728 -5.18376 -25.3004 -0.853951 -62.728 -0.854046 11.187 GPRESSAVG: 4870000 36.0901 -5.7462 -63.3715 -4.63615 -26.0062 -0.992669 -60.5628 -2.77491 11.5739 TIMING: 4870000 CPU: 15693.7, 0.00313402/step Wall: 15693.7, 0.00313402/step, 0.113173 hours remaining, 236.359375 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: 4870000 3916.2055 20418.7091 14479.2194 234.8494 -203587.2104 2757.0665 0.0000 0.0000 52113.9899 -109667.1706 299.4998 -161781.1605 -109315.2678 299.1131 241.7921 273.3975 761786.7081 7.2068 7.2192 PRESSURE: 4870200 -183.892 202.962 43.5152 202.963 -176.415 -177.753 43.5157 -177.752 -44.4901 GPRESSURE: 4870200 -127.269 145.06 -7.77232 139.152 -157.278 -131.277 166.793 44.3024 -25.7962 PRESSAVG: 4870200 5.86384 3.25576 9.99431 3.25569 -6.22081 24.2904 9.99428 24.2904 12.402 GPRESSAVG: 4870200 5.50369 3.98814 8.84057 0.715195 -5.87814 24.3964 11.6436 25.6415 13.2166 TIMING: 4870200 CPU: 15694.3, 0.00316421/step Wall: 15694.3, 0.00316421/step, 0.114087 hours remaining, 236.359375 MB of memory in use. ENERGY: 4870200 4044.8471 20399.6394 14479.6546 245.7966 -203105.6216 2310.3073 0.0000 0.0000 51986.0762 -109639.3005 298.7647 -161625.3767 -109293.3079 299.0144 -134.9325 -103.4477 761090.3750 4.0150 4.2807 PRESSURE: 4870400 450.103 -36.2643 -140.73 -36.2636 65.7336 -87.6739 -140.73 -87.6741 -238.825 GPRESSURE: 4870400 444.253 -74.0416 -229.461 -120.255 62.002 -119.388 -80.827 -104.766 -150.504 PRESSAVG: 4870400 44.322 -41.5729 -22.6549 -41.573 -34.1944 -19.5688 -22.6549 -19.5688 6.1144 GPRESSAVG: 4870400 44.2277 -42.6157 -22.5472 -37.3173 -33.1725 -19.778 -24.7409 -17.1755 5.23642 TIMING: 4870400 CPU: 15694.9, 0.00312435/step Wall: 15694.9, 0.00312435/step, 0.112477 hours remaining, 236.359375 MB of memory in use. ENERGY: 4870400 3956.3556 20694.3987 14514.5056 245.7776 -203849.4010 2905.1492 0.0000 0.0000 51877.1947 -109656.0196 298.1390 -161533.2142 -109299.3256 298.7210 92.3371 118.5838 761681.6218 5.4140 5.4306 PRESSURE: 4870600 -226.712 -160.795 -127.275 -160.796 174.717 173.486 -127.274 173.485 -90.8125 GPRESSURE: 4870600 -141.69 -132.103 -90.7033 -224.642 151.911 134.348 -105.191 100.785 -61.1753 PRESSAVG: 4870600 50.6172 -18.7649 -35.357 -18.7649 -10.0631 44.671 -35.3569 44.671 -5.86403 GPRESSAVG: 4870600 50.7457 -20.2228 -35.3967 -20.3556 -11.101 44.7141 -34.7096 43.0443 -4.66895 TIMING: 4870600 CPU: 15695.5, 0.00311924/step Wall: 15695.5, 0.00311924/step, 0.112119 hours remaining, 236.359375 MB of memory in use. ENERGY: 4870600 4027.0228 20435.7347 14435.6540 235.9748 -203610.1546 2647.8379 0.0000 0.0000 52261.8679 -109566.0625 300.3497 -161827.9304 -109206.6584 299.0647 -47.6024 -16.9847 761369.3255 11.5633 11.6586 PRESSURE: 4870800 -486.568 -58.4841 165.514 -58.4846 44.8698 -23.7519 165.514 -23.7528 6.51351 GPRESSURE: 4870800 -382.282 -119.064 154.576 -149.052 67.8666 -33.736 86.6912 -62.0028 -47.0941 PRESSAVG: 4870800 -7.80179 -38.825 6.85932 -38.825 -25.1314 7.91723 6.85923 7.91731 -1.82427 GPRESSAVG: 4870800 -7.2251 -38.0206 6.59381 -39.1102 -24.4574 7.91245 5.40693 7.31611 -2.98452 TIMING: 4870800 CPU: 15696.2, 0.00310114/step Wall: 15696.2, 0.00310114/step, 0.111297 hours remaining, 236.359375 MB of memory in use. ENERGY: 4870800 3957.1056 20344.2069 14485.4319 262.5983 -203060.4228 2497.3921 0.0000 0.0000 51812.7302 -109700.9578 297.7685 -161513.6880 -109343.9153 298.9728 -145.0616 -120.5031 763718.3814 -11.5858 -11.5557 PRESSURE: 4871000 278.106 112.582 3.2349 112.581 -257.798 96.1509 3.23481 96.1513 105.543 GPRESSURE: 4871000 216.146 37.9766 19.4242 158.225 -221.106 67.958 -85.7503 121.721 199.263 PRESSAVG: 4871000 14.9196 -14.0549 -9.57187 -14.0549 -18.678 -16.1908 -9.57187 -16.1909 2.34844 GPRESSAVG: 4871000 13.9059 -12.6349 -9.25111 -14.0443 -17.2757 -15.3893 -9.54368 -16.1883 1.44281 TIMING: 4871000 CPU: 15696.8, 0.00311138/step Wall: 15696.8, 0.00311138/step, 0.111491 hours remaining, 236.359375 MB of memory in use. ENERGY: 4871000 3941.9636 20526.9505 14466.6484 233.3661 -203385.9532 2527.7551 0.0000 0.0000 51964.5601 -109724.7095 298.6410 -161689.2695 -109350.5795 298.6365 41.9504 64.7679 761790.4976 -0.4700 -0.6423 PRESSURE: 4871200 -4.63475 -102.71 -116.283 -102.709 -87.2637 -261.269 -116.283 -261.268 -58.1121 GPRESSURE: 4871200 50.3056 -22.8856 -124.021 -152.05 -93.4153 -223.911 -214.544 -253.086 -8.41214 PRESSAVG: 4871200 2.82319 44.2183 18.7258 44.2183 -6.01902 53.3907 18.7258 53.3907 5.81373 GPRESSAVG: 4871200 3.42775 41.7029 19.4173 46.1456 -8.17515 55.3703 18.1452 52.1655 7.32303 TIMING: 4871200 CPU: 15697.4, 0.00312281/step Wall: 15697.4, 0.00312281/step, 0.111727 hours remaining, 236.359375 MB of memory in use. ENERGY: 4871200 3963.4155 20552.5676 14477.7883 233.8977 -203533.3006 2627.3435 0.0000 0.0000 51974.5085 -109703.7796 298.6982 -161678.2881 -109338.5038 298.7903 -50.0035 -17.1739 759828.1018 0.8726 0.8585 PRESSURE: 4871400 293.661 6.41965 12.8768 6.41969 15.8071 196.548 12.8778 196.549 352.501 GPRESSURE: 4871400 221.542 3.06585 113.617 63.1458 162.384 137.451 121.633 249.697 357.593 PRESSAVG: 4871400 28.693 10.1769 16.4245 10.1769 13.3624 -41.5867 16.4244 -41.5868 20.2658 GPRESSAVG: 4871400 27.6162 11.2095 16.2202 11.1051 14.5938 -43.6391 19.8224 -40.9158 19.8193 TIMING: 4871400 CPU: 15698, 0.00310474/step Wall: 15698, 0.00310474/step, 0.110908 hours remaining, 236.359375 MB of memory in use. ENERGY: 4871400 3980.1117 20545.6713 14405.6504 231.4829 -203456.1115 2688.8494 0.0000 0.0000 52140.0003 -109464.3454 299.6493 -161604.3457 -109099.5145 299.4167 220.6566 247.1729 759364.7424 20.7737 20.6764 PRESSURE: 4871600 -29.5672 -100.384 0.218818 -100.384 -48.1883 195.678 0.219147 195.677 231.399 GPRESSURE: 4871600 -33.1338 -68.712 29.2397 -87.294 4.80304 239.777 -96.4836 224.23 275.009 PRESSAVG: 4871600 1.15013 -11.1966 -4.22003 -11.1966 -5.15416 0.0943251 -4.22002 0.0942721 -6.52006 GPRESSAVG: 4871600 1.29376 -10.2605 -3.68901 -14.4031 -5.44946 -0.165891 -5.13298 -0.871016 -5.98621 TIMING: 4871600 CPU: 15698.6, 0.00309763/step Wall: 15698.6, 0.00309763/step, 0.110482 hours remaining, 236.359375 MB of memory in use. ENERGY: 4871600 4000.4653 20541.2137 14503.9276 234.2006 -203432.0314 2658.1203 0.0000 0.0000 52060.9283 -109433.1756 299.1949 -161494.1040 -109078.7129 299.4584 51.2146 82.2260 760929.9975 -3.5080 -3.3806 PRESSURE: 4871800 34.7441 86.7813 -24.4202 86.7821 -176.077 -23.2464 -24.42 -23.246 275.283 GPRESSURE: 4871800 104.613 135.151 60.5423 -45.3567 -93.2384 -22.675 -151.804 -58.5391 205.138 PRESSAVG: 4871800 2.56801 32.9015 5.53456 32.9014 -5.60625 -35.8762 5.53458 -35.8761 8.45034 GPRESSAVG: 4871800 2.69026 33.556 5.34455 32.6185 -4.24423 -35.5246 4.4964 -34.9052 6.92842 TIMING: 4871800 CPU: 15699.3, 0.00309041/step Wall: 15699.3, 0.00309041/step, 0.110053 hours remaining, 236.359375 MB of memory in use. ENERGY: 4871800 3973.6632 20615.5000 14447.1281 236.9920 -203738.7353 2665.0449 0.0000 0.0000 52254.9570 -109545.4500 300.3100 -161800.4070 -109173.4086 299.5757 44.6501 72.1709 760002.6761 1.8040 1.7915 PRESSURE: 4872000 -87.1928 50.3791 49.0891 50.3792 -111.02 19.9319 49.0885 19.932 88.9695 GPRESSURE: 4872000 -72.6091 99.1005 72.0469 37.7942 -53.6175 55.333 66.0861 -46.6292 104.882 PRESSAVG: 4872000 -12.001 -13.04 -2.30033 -13.04 -8.24847 -9.24427 -2.30033 -9.24433 14.0849 GPRESSAVG: 4872000 -11.5717 -15.0672 -2.77868 -11.3493 -8.55208 -9.44022 -2.62279 -8.53321 14.4905 TIMING: 4872000 CPU: 15699.9, 0.00310641/step Wall: 15699.9, 0.0031064/step, 0.11045 hours remaining, 236.359375 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: 4872000 3975.0751 20714.7377 14452.1072 261.7335 -203297.5450 2455.9764 0.0000 0.0000 51826.4803 -109611.4348 297.8475 -161437.9151 -109254.6082 299.0675 -36.4145 -7.1149 760195.4500 -2.0548 -1.8778 PRESSURE: 4872200 188.201 176.667 -87.7993 176.667 -213.544 -11.6416 -87.7992 -11.6425 -72.2657 GPRESSURE: 4872200 132.739 -61.1263 -79.2512 63.5784 -123.558 -24.3431 15.995 -72.1034 -9.80104 PRESSAVG: 4872200 93.2161 -5.51605 31.2201 -5.51609 -72.9208 -23.0758 31.22 -23.0758 30.5101 GPRESSAVG: 4872200 93.0358 -5.98358 31.2222 -6.15172 -73.1189 -22.8543 32.0816 -22.654 30.2655 TIMING: 4872200 CPU: 15700.5, 0.00310666/step Wall: 15700.5, 0.00310666/step, 0.110287 hours remaining, 236.359375 MB of memory in use. ENERGY: 4872200 4021.8094 20487.0343 14554.7996 237.0637 -203480.5638 2390.4181 0.0000 0.0000 52170.5791 -109618.8595 299.8250 -161789.4387 -109253.4094 299.7203 -32.5363 -0.2067 760143.9721 16.9351 16.7275 LDB: ============= START OF LOAD BALANCING ============== 15712.9 LDB: ============== END OF LOAD BALANCING =============== 15712.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15712.9 LDB: ============= START OF LOAD BALANCING ============== 15713.2 LDB: Largest compute 7037 load 0.031900 is 16.3% of average load 0.195551 LDB: Average compute 0.004354 is 2.2% of average load 0.195551 LDB: TIME 15713.2 LOAD: AVG 0.195551 MAX 0.21482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.59 MB LDB: TIME 15713.2 LOAD: AVG 0.195551 MAX 0.21482 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 15713.2 LOAD: AVG 0.195551 MAX 0.21482 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 15713.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15713.2 PRESSURE: 4872400 -151.303 -231.777 -114.898 -231.777 -313.752 83.1708 -114.897 83.1709 7.39483 GPRESSURE: 4872400 -93.0587 -277.449 -134.626 -262.99 -293.371 101.151 -38.0894 -15.0403 5.09439 PRESSAVG: 4872400 -3.75004 19.6465 -32.3111 19.6464 -31.1135 38.0099 -32.3111 38.0099 3.97419 GPRESSAVG: 4872400 -5.25142 20.7646 -33.2052 20.1372 -30.0482 37.424 -31.5515 37.3716 4.29964 TIMING: 4872400 CPU: 15701.1, 0.00316553/step Wall: 15701.1, 0.00316553/step, 0.1122 hours remaining, 235.652344 MB of memory in use. ENERGY: 4872400 4029.9768 20611.8369 14446.2265 234.9824 -203374.1100 2326.8504 0.0000 0.0000 52011.2524 -109712.9846 298.9094 -161724.2369 -109357.8355 299.4834 -152.5532 -127.1118 759488.9573 -10.2965 -10.3333 PRESSURE: 4872600 -153.172 -212.826 -67.2775 -212.826 -200.496 -85.7942 -67.2774 -85.7954 105.074 GPRESSURE: 4872600 -127.161 -48.0108 -25.5603 -270.213 -147.448 -59.7557 -76.0702 -63.8562 104.245 PRESSAVG: 4872600 -28.865 -4.62804 55.2904 -4.62798 14.2847 27.8312 55.2904 27.8312 -14.9196 GPRESSAVG: 4872600 -28.075 -2.94739 54.8977 -4.97951 13.6106 27.6462 54.7526 26.5396 -15.1555 TIMING: 4872600 CPU: 15701.8, 0.00314132/step Wall: 15701.8, 0.00314132/step, 0.111168 hours remaining, 235.855469 MB of memory in use. ENERGY: 4872600 3980.2531 20350.5208 14433.4134 247.2887 -203171.6871 2439.0932 0.0000 0.0000 52237.4086 -109483.7095 300.2091 -161721.1180 -109116.1297 299.2380 -82.8646 -56.7881 763125.6009 -9.8333 -9.8733 PRESSURE: 4872800 88.2602 120.665 -84.8513 120.666 68.1196 178.449 -84.852 178.449 -20.9644 GPRESSURE: 4872800 156.549 82.0963 22.0842 121.799 63.521 170.607 91.1474 51.0311 -1.05028 PRESSAVG: 4872800 23.6714 -21.645 -15.1914 -21.645 -11.6501 20.0757 -15.1914 20.0758 -15.5401 GPRESSAVG: 4872800 22.0135 -23.503 -14.2449 -21.2151 -10.5698 20.4968 -14.7469 20.3547 -14.8426 TIMING: 4872800 CPU: 15702.4, 0.00312754/step Wall: 15702.4, 0.00312754/step, 0.110506 hours remaining, 235.996094 MB of memory in use. ENERGY: 4872800 4074.9869 20447.0395 14460.7582 251.4978 -202912.4484 2337.4233 0.0000 0.0000 52011.3112 -109329.4316 298.9097 -161340.7428 -108977.1858 299.1139 45.1385 73.0066 761200.1774 -1.1729 -1.1330 PRESSURE: 4873000 113.392 -83.718 171.806 -83.7181 -225.549 -132.562 171.807 -132.562 -95.4228 GPRESSURE: 4873000 108.15 -32.6487 105.715 -155.531 -159.54 -126.539 -34.3831 -102.718 -72.0779 PRESSAVG: 4873000 35.8253 5.24401 -10.3426 5.24404 -36.2615 -44.7995 -10.3425 -44.7997 7.36835 GPRESSAVG: 4873000 36.4185 5.9024 -10.4249 4.79458 -36.2723 -44.3888 -9.41564 -42.4646 6.6842 TIMING: 4873000 CPU: 15703, 0.00313673/step Wall: 15703, 0.00313673/step, 0.110657 hours remaining, 236.066406 MB of memory in use. ENERGY: 4873000 4005.0537 20752.0383 14421.1633 251.4570 -203293.7481 2487.6515 0.0000 0.0000 52028.6221 -109347.7621 299.0092 -161376.3843 -109006.7519 299.8745 -69.1936 -41.1559 760958.3459 2.3107 2.2768 PRESSURE: 4873200 38.4801 -182.638 112.53 -182.638 126.803 -5.8142 112.53 -5.81413 -103.262 GPRESSURE: 4873200 30.6956 -263.112 45.7703 -198.532 180.914 57.2199 115.252 76.7023 -62.3576 PRESSAVG: 4873200 7.9098 -8.07239 6.14496 -8.07234 4.27912 20.0659 6.14495 20.0659 11.6773 GPRESSAVG: 4873200 8.69953 -7.88642 5.56954 -6.2003 4.15973 21.0044 4.17625 19.3736 11.2151 TIMING: 4873200 CPU: 15703.6, 0.00311822/step Wall: 15703.6, 0.00311822/step, 0.10983 hours remaining, 236.066406 MB of memory in use. ENERGY: 4873200 4072.9631 20431.3303 14582.6622 241.3452 -203404.6711 2531.7846 0.0000 0.0000 52215.9892 -109328.5964 300.0860 -161544.5856 -108968.3805 299.5376 20.6739 49.7507 759942.0856 7.9554 8.0248 PRESSURE: 4873400 249.475 32.1131 137.254 32.1138 -66.2862 -40.5373 137.254 -40.5366 -175.263 GPRESSURE: 4873400 205.639 -44.0038 131.752 60.6541 47.9129 -52.6411 174.729 -46.2729 -153.143 PRESSAVG: 4873400 4.64655 19.935 -19.7902 19.935 -20.652 -11.5163 -19.7902 -11.5163 17.2936 GPRESSAVG: 4873400 4.27912 19.4184 -17.7058 18.9584 -20.5093 -13.2063 -20.4578 -12.5889 17.7973 TIMING: 4873400 CPU: 15704.3, 0.00311235/step Wall: 15704.3, 0.00311235/step, 0.109451 hours remaining, 236.066406 MB of memory in use. ENERGY: 4873400 4044.0018 20521.6247 14531.2923 253.7400 -203746.0963 2821.9640 0.0000 0.0000 52219.7946 -109353.6789 300.1079 -161573.4735 -108997.9095 300.0057 2.6420 33.4697 761403.9536 0.4294 0.5224 PRESSURE: 4873600 -23.2833 18.1336 -33.7395 18.134 -169.804 236.218 -33.7395 236.217 41.2023 GPRESSURE: 4873600 38.6359 27.8069 -75.5825 43.1065 -153.606 183.227 109.721 99.0858 45.5812 PRESSAVG: 4873600 48.7212 -1.07655 -31.7379 -1.07656 -34.4936 51.082 -31.738 51.082 -2.04821 GPRESSAVG: 4873600 48.9695 -0.332626 -31.5074 -1.65154 -34.7717 49.7234 -31.3845 51.5139 -2.22168 TIMING: 4873600 CPU: 15704.9, 0.00310666/step Wall: 15704.9, 0.00310666/step, 0.109078 hours remaining, 236.066406 MB of memory in use. ENERGY: 4873600 3978.6179 20685.8229 14495.6126 228.7467 -203675.1005 2529.1662 0.0000 0.0000 52311.3693 -109445.7649 300.6342 -161757.1342 -109092.9577 299.4446 -50.6282 -23.1297 760923.2784 4.0598 3.9920 PRESSURE: 4873800 -254.666 -156.155 -84.1056 -156.155 132.218 -53.699 -84.1056 -53.7004 77.1575 GPRESSURE: 4873800 -213.567 -21.0012 -155.909 -186.774 131.149 -118.264 78.0813 206.862 134.587 PRESSAVG: 4873800 11.8086 3.72523 10.6443 3.72523 -60.3768 10.2428 10.6443 10.2428 -11.6188 GPRESSAVG: 4873800 11.556 3.26938 9.87622 2.43756 -60.2427 10.6228 11.7017 9.41938 -12.3476 TIMING: 4873800 CPU: 15705.5, 0.00312226/step Wall: 15705.5, 0.00312226/step, 0.109453 hours remaining, 236.066406 MB of memory in use. ENERGY: 4873800 3996.4901 20557.7384 14481.2662 237.7988 -203251.5627 2512.6345 0.0000 0.0000 52080.2427 -109385.3921 299.3059 -161465.6348 -109017.1547 300.0254 -15.0971 17.3898 760835.2800 -20.0623 -20.3448 PRESSURE: 4874000 -148.604 4.59774 90.005 4.59751 -187.327 27.5238 90.0054 27.5244 199.318 GPRESSURE: 4874000 0.918254 94.7694 59.8427 58.3497 -139.743 38.8534 30.9709 51.329 101.12 PRESSAVG: 4874000 -1.11743 -46.2826 29.841 -46.2826 -23.4813 54.617 29.8409 54.6169 7.22868 GPRESSAVG: 4874000 0.0709227 -48.2481 30.4075 -45.549 -24.1429 56.2868 28.0028 54.4793 6.87844 TIMING: 4874000 CPU: 15706.1, 0.00311181/step Wall: 15706.1, 0.00311181/step, 0.108913 hours remaining, 236.066406 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: 4874000 3986.7848 20505.9411 14403.9552 225.6679 -203213.2536 2364.4780 0.0000 0.0000 52187.1314 -109539.2951 299.9202 -161726.4266 -109176.8158 299.2496 -45.5375 -12.5684 760030.1715 -5.7900 -5.7312 PRESSURE: 4874200 -31.5435 -126.648 -85.6382 -126.647 -230.35 -92.2129 -85.6376 -92.2138 111.81 GPRESSURE: 4874200 -52.0624 -82.1552 -157.171 -241.551 -177.39 -171.662 -120.929 4.73929 160.791 PRESSAVG: 4874200 55.6347 -62.7359 -9.39445 -62.7358 -51.8498 19.2678 -9.39443 19.2678 13.5645 GPRESSAVG: 4874200 53.1135 -61.9761 -11.1076 -63.6637 -51.0997 20.5811 -8.10979 19.5116 14.6658 TIMING: 4874200 CPU: 15706.8, 0.00311459/step Wall: 15706.8, 0.00311459/step, 0.108838 hours remaining, 236.066406 MB of memory in use. ENERGY: 4874200 3980.1449 20231.4906 14487.3467 236.4043 -203433.4252 2370.1412 0.0000 0.0000 52342.3215 -109785.5760 300.8120 -162127.8975 -109409.1531 298.7575 -50.0278 -22.8871 758966.8391 5.7832 5.5598 PRESSURE: 4874400 -2.89153 137.994 -198.289 137.995 365.59 77.1567 -198.29 77.1569 567.566 GPRESSURE: 4874400 62.5796 48.1037 -160.58 213.6 349.919 -14.169 -32.0123 -45.813 608.767 PRESSAVG: 4874400 -3.81627 -14.8244 -12.152 -14.8245 -5.87789 -10.2974 -12.152 -10.2975 8.04024 GPRESSAVG: 4874400 -3.19624 -15.7244 -10.8687 -12.9007 -6.05533 -12.0128 -12.073 -9.29295 8.21721 TIMING: 4874400 CPU: 15707.4, 0.00312124/step Wall: 15707.4, 0.00312124/step, 0.108896 hours remaining, 236.066406 MB of memory in use. ENERGY: 4874400 3929.9662 20375.3449 14379.5380 245.8597 -203216.5409 2538.6021 0.0000 0.0000 52045.2304 -109701.9995 299.1047 -161747.2299 -109342.6643 298.7285 310.0880 340.4217 759473.0586 -0.5513 -0.3448 PRESSURE: 4874600 204.285 -146.804 65.7734 -146.806 20.2371 -50.4734 65.7741 -50.473 -215.266 GPRESSURE: 4874600 276.592 27.5005 30.086 -92.786 80.0622 -65.0678 -12.1498 -0.714598 -262.61 PRESSAVG: 4874600 1.68472 -11.4801 -24.4987 -11.4801 5.03219 -14.4503 -24.4988 -14.4503 -17.7433 GPRESSAVG: 4874600 2.34659 -10.3624 -25.3431 -9.95534 3.99557 -15.4883 -24.0991 -15.0822 -17.2279 TIMING: 4874600 CPU: 15708, 0.00311383/step Wall: 15708, 0.00311383/step, 0.108465 hours remaining, 236.066406 MB of memory in use. ENERGY: 4874600 3959.7345 20560.0749 14431.3952 239.0748 -203053.2594 2536.8011 0.0000 0.0000 51719.9497 -109606.2291 297.2353 -161326.1788 -109257.3273 298.5384 3.0853 31.3482 759573.4911 -3.6755 -3.6286 PRESSURE: 4874800 119.332 5.78978 377.343 5.7893 38.391 -77.5973 377.341 -77.5966 -104.689 GPRESSURE: 4874800 124.035 -25.2781 274.192 15.471 33.7065 -26.182 397.805 -3.78004 -32.3352 PRESSAVG: 4874800 -0.858946 -50.2556 -11.4673 -50.2556 -24.5715 -1.95651 -11.4673 -1.95651 1.63368 GPRESSAVG: 4874800 -0.54899 -51.0923 -9.8632 -52.849 -23.1312 -0.28727 -13.3478 -3.16043 -0.137616 TIMING: 4874800 CPU: 15708.6, 0.00311738/step Wall: 15708.6, 0.00311738/step, 0.108416 hours remaining, 236.066406 MB of memory in use. ENERGY: 4874800 3979.4643 20357.0034 14463.9490 226.1270 -203039.6773 2446.1001 0.0000 0.0000 52035.8763 -109531.1572 299.0509 -161567.0334 -109170.0235 298.6705 17.6781 41.8022 759900.1183 -7.9323 -7.9393 PRESSURE: 4875000 69.1862 -35.2962 11.7926 -35.2956 327.932 -37.4259 11.7937 -37.4254 159.181 GPRESSURE: 4875000 102.899 42.9145 32.8837 -66.8373 416.687 -32.019 95.0058 -16.5232 128.83 PRESSAVG: 4875000 -3.05415 -19.9971 5.48977 -19.9971 0.384249 65.1399 5.48981 65.14 -14.186 GPRESSAVG: 4875000 -3.32019 -19.581 3.96984 -19.0386 0.536106 63.6653 6.78605 67.347 -14.0386 TIMING: 4875000 CPU: 15709.2, 0.00310498/step Wall: 15709.2, 0.00310498/step, 0.107812 hours remaining, 236.066406 MB of memory in use. ENERGY: 4875000 4000.9907 20361.3185 14468.4393 237.6852 -203347.2717 2948.0126 0.0000 0.0000 51751.8384 -109578.9869 297.4185 -161330.8253 -109216.3984 298.6553 185.4331 216.1385 762132.5651 -5.6186 -5.6076 PRESSURE: 4875200 -112.246 138.276 -62.5315 138.277 -77.367 118.08 -62.5318 118.082 -161.486 GPRESSURE: 4875200 -140.53 158.596 27.8982 146.119 65.3658 157.714 -164.005 116.853 -186.024 PRESSAVG: 4875200 2.391 11.9705 -11.6511 11.9705 -53.221 58.3516 -11.6511 58.3516 -12.0015 GPRESSAVG: 4875200 2.06809 13.4108 -9.41235 9.80433 -52.7879 59.4269 -13.1492 57.3829 -11.9565 TIMING: 4875200 CPU: 15709.9, 0.00310105/step Wall: 15709.9, 0.00310105/step, 0.107503 hours remaining, 236.066406 MB of memory in use. ENERGY: 4875200 4040.6729 20366.5248 14444.6253 237.2431 -203181.5021 2621.8660 0.0000 0.0000 51960.6940 -109509.8761 298.6188 -161470.5701 -109157.1066 299.1028 -117.0330 -87.0625 762820.6233 -20.9438 -20.8921 PRESSURE: 4875400 309.696 28.6449 -16.0928 28.6448 223.358 29.5804 -16.0924 29.5797 -23.5907 GPRESSURE: 4875400 307.417 47.9742 -47.7498 -10.948 347.258 103.419 -24.0933 108.575 -50.4936 PRESSAVG: 4875400 -7.66018 15.1286 52.2172 15.1286 -5.00087 37.2117 52.2173 37.2117 -21.912 GPRESSAVG: 4875400 -6.20142 11.9021 48.7692 16.1221 -5.91314 36.7047 54.1644 38.4349 -21.8418 TIMING: 4875400 CPU: 15710.5, 0.00313989/step Wall: 15710.5, 0.00313989/step, 0.108675 hours remaining, 236.066406 MB of memory in use. ENERGY: 4875400 3978.4057 20314.7041 14515.3753 248.0065 -203749.6161 2759.9892 0.0000 0.0000 52272.2107 -109660.9246 300.4091 -161933.1353 -109302.2907 299.1366 169.8211 201.3938 760012.7564 -11.5243 -11.3188 PRESSURE: 4875600 -27.1274 -22.067 120.448 -22.0663 201.355 39.3582 120.448 39.3583 463.275 GPRESSURE: 4875600 80.5312 -8.51408 135.511 -105.372 180.55 65.4106 73.3865 12.0683 465.496 PRESSAVG: 4875600 46.214 -38.6993 18.3108 -38.6993 -8.93532 -23.209 18.3107 -23.209 12.1024 GPRESSAVG: 4875600 45.1979 -36.9215 20.7659 -38.8113 -8.32905 -24.7034 16.8961 -23.2581 12.6013 TIMING: 4875600 CPU: 15711.1, 0.0031259/step Wall: 15711.1, 0.0031259/step, 0.108017 hours remaining, 236.066406 MB of memory in use. ENERGY: 4875600 3971.9120 20413.4623 14465.6494 242.3391 -203378.8896 2646.4328 0.0000 0.0000 51820.5823 -109818.5118 297.8136 -161639.0941 -109457.8298 298.7546 212.5010 242.1924 763136.0235 16.4604 16.4900 PRESSURE: 4875800 29.1398 -222.162 -43.7075 -222.162 252.756 99.825 -43.7071 99.8255 -240.99 GPRESSURE: 4875800 58.5633 -20.0862 -42.2976 -193.066 179.779 72.6531 40.3611 94.0612 -124.147 PRESSAVG: 4875800 87.5066 -36.3627 -27.7313 -36.3627 -49.5282 74.4158 -27.7313 74.4158 16.9378 GPRESSAVG: 4875800 86.5722 -34.9967 -27.3786 -35.5515 -48.9801 75.8549 -28.5045 73.5933 17.3245 TIMING: 4875800 CPU: 15711.7, 0.00313846/step Wall: 15711.7, 0.00313846/step, 0.108277 hours remaining, 236.066406 MB of memory in use. ENERGY: 4875800 3880.4256 20284.7096 14525.3586 233.3997 -203711.9696 2853.3243 0.0000 0.0000 51952.0848 -109982.6670 298.5693 -161934.7518 -109642.4891 298.1890 13.6352 38.0652 761924.0362 18.3054 18.3055 PRESSURE: 4876000 -171.978 55.8845 24.6943 55.8837 36.3596 25.0837 24.6947 25.0839 327.395 GPRESSURE: 4876000 -141.996 76.6099 31.6052 116.849 143.611 76.5109 21.2686 44.6358 259.676 PRESSAVG: 4876000 21.9461 -21.5716 -11.4461 -21.5716 -18.3205 -0.174702 -11.446 -0.174785 8.08188 GPRESSAVG: 4876000 22.1496 -23.4786 -11.0084 -20.5551 -17.9592 -0.464968 -9.63687 0.255801 7.68652 TIMING: 4876000 CPU: 15712.4, 0.00311854/step Wall: 15712.4, 0.00311854/step, 0.107416 hours remaining, 236.066406 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: 4876000 3928.9776 20403.4270 14491.3124 234.8815 -203510.7198 2620.5716 0.0000 0.0000 52011.8770 -109819.6728 298.9130 -161831.5498 -109453.8945 298.2726 63.9255 87.0967 760432.0362 3.9025 3.9590 PRESSURE: 4876200 108.867 110.326 -9.13279 110.327 150.295 -127.615 -9.1334 -127.614 -55.6097 GPRESSURE: 4876200 205.784 -24.9735 -43.3123 150.631 121.158 -6.32046 -45.7106 -202.745 -35.8407 PRESSAVG: 4876200 50.8467 -9.60137 -44.6172 -9.6014 -17.5685 13.3747 -44.6172 13.3749 -0.556242 GPRESSAVG: 4876200 50.174 -9.54126 -44.6677 -11.0172 -18.5029 14.8439 -45.6753 11.3008 0.504434 TIMING: 4876200 CPU: 15713, 0.0030978/step Wall: 15713, 0.0030978/step, 0.10653 hours remaining, 236.066406 MB of memory in use. ENERGY: 4876200 3934.8705 20131.2226 14562.6573 240.7405 -203357.4649 2704.8854 0.0000 0.0000 52038.0582 -109745.0304 299.0634 -161783.0886 -109375.6984 298.7787 67.8507 97.0336 761144.1240 10.9073 10.7252 LDB: ============= START OF LOAD BALANCING ============== 15725.4 LDB: ============== END OF LOAD BALANCING =============== 15725.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15725.4 LDB: ============= START OF LOAD BALANCING ============== 15725.7 LDB: Largest compute 7056 load 0.031053 is 15.9% of average load 0.195687 LDB: Average compute 0.004373 is 2.2% of average load 0.195687 LDB: TIME 15725.7 LOAD: AVG 0.195687 MAX 0.21292 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.195 MB LDB: TIME 15725.7 LOAD: AVG 0.195687 MAX 0.21292 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: TIME 15725.7 LOAD: AVG 0.195687 MAX 0.21292 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: ============== END OF LOAD BALANCING =============== 15725.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15725.7 PRESSURE: 4876400 93.7932 -190.956 63.0965 -190.956 -27.0227 117.214 63.0961 117.214 -152.027 GPRESSURE: 4876400 184.028 -222.463 -7.84117 -93.3188 -82.7063 51.1619 -70.7973 157.851 -106.6 PRESSAVG: 4876400 49.9711 -68.0546 -52.2459 -68.0545 -33.1706 -5.57814 -52.2459 -5.57808 3.78822 GPRESSAVG: 4876400 50.8382 -67.8376 -52.8621 -66.92 -33.4516 -7.19724 -51.5878 -3.98966 3.51093 TIMING: 4876400 CPU: 15713.6, 0.00317317/step Wall: 15713.6, 0.00317317/step, 0.108945 hours remaining, 235.144531 MB of memory in use. ENERGY: 4876400 3959.5554 20417.9274 14452.5142 245.3203 -203552.9265 2779.7845 0.0000 0.0000 51981.6121 -109716.2125 298.7390 -161697.8246 -109353.5754 298.7992 -28.4189 -1.7593 761826.3105 6.8629 6.9659 PRESSURE: 4876600 -54.5233 153.423 42.6402 153.422 -40.6118 -38.6115 42.6404 -38.6115 351.647 GPRESSURE: 4876600 -38.4661 126.916 9.39241 117.175 35.7517 58.7317 96.2341 -66.5719 341.58 PRESSAVG: 4876600 -15.5332 -77.5139 3.61821 -77.5139 -31.1165 4.29714 3.61822 4.29713 6.46031 GPRESSAVG: 4876600 -15.6108 -76.9681 4.1359 -78.7353 -29.9606 4.23374 3.68598 4.28427 6.51547 TIMING: 4876600 CPU: 15714.3, 0.00313356/step Wall: 15714.3, 0.00313356/step, 0.107412 hours remaining, 235.214844 MB of memory in use. ENERGY: 4876600 4015.1940 20411.3024 14489.2163 242.4077 -203353.9161 2804.9503 0.0000 0.0000 52037.8459 -109352.9994 299.0622 -161390.8453 -108987.0439 298.8684 85.5039 112.9551 762254.0460 -13.3964 -13.0187 PRESSURE: 4876800 230.957 -134.199 101.087 -134.199 -369.775 -40.2561 101.087 -40.2563 -106.334 GPRESSURE: 4876800 284.208 -289.664 31.9234 -139.348 -346.878 -52.5196 16.7198 -150.06 -103.58 PRESSAVG: 4876800 65.2271 -57.8082 -36.844 -57.8083 -18.0692 42.8644 -36.844 42.8644 6.89106 GPRESSAVG: 4876800 66.1496 -60.1491 -36.5106 -57.1243 -18.9792 41.1392 -35.8254 45.7138 7.20667 TIMING: 4876800 CPU: 15714.9, 0.00310003/step Wall: 15714.9, 0.00310003/step, 0.10609 hours remaining, 235.355469 MB of memory in use. ENERGY: 4876800 3991.7892 20381.0536 14542.6436 244.3350 -203644.9164 2835.8485 0.0000 0.0000 52176.7841 -109472.4624 299.8607 -161649.2465 -109096.6586 299.6194 -81.7174 -55.4165 760847.8831 18.0163 18.1257 PRESSURE: 4877000 216.872 33.4907 27.6137 33.4899 1.22189 -197.898 27.6141 -197.897 -250.878 GPRESSURE: 4877000 207.619 44.3552 50.6735 162.764 36.4776 -182.627 7.89397 -124.446 -180.434 PRESSAVG: 4877000 39.2123 -49.0187 -42.7799 -49.0188 -25.8379 15.1118 -42.7799 15.1118 10.3132 GPRESSAVG: 4877000 37.4253 -45.892 -44.374 -49.0232 -24.9259 17.6656 -44.9515 11.6533 10.5298 TIMING: 4877000 CPU: 15715.5, 0.00310753/step Wall: 15715.5, 0.00310753/step, 0.106174 hours remaining, 235.355469 MB of memory in use. ENERGY: 4877000 3985.0903 20493.2345 14529.8870 254.2695 -203687.8810 2693.0324 0.0000 0.0000 52380.6436 -109351.7236 301.0323 -161732.3672 -108983.3870 299.6070 -10.9281 21.2209 760072.6216 7.8959 7.6764 PRESSURE: 4877200 -620.904 183.576 31.0117 183.577 -144.935 99.4168 31.0116 99.4169 -125.445 GPRESSURE: 4877200 -493.757 251.884 10.8211 171.451 -152.122 144.095 -19.5675 62.3251 -153.309 PRESSAVG: 4877200 -29.1699 -44.8572 -76.1434 -44.8572 13.3046 54.6564 -76.1435 54.6564 9.57533 GPRESSAVG: 4877200 -27.3383 -45.9123 -75.5599 -45.8476 12.5411 53.8003 -75.861 56.045 8.59805 TIMING: 4877200 CPU: 15716.1, 0.00312059/step Wall: 15716.1, 0.00312059/step, 0.106447 hours remaining, 235.355469 MB of memory in use. ENERGY: 4877200 4013.0283 20480.9113 14530.4157 224.7817 -202624.9709 1942.2262 0.0000 0.0000 52175.6340 -109257.9737 299.8541 -161433.6077 -108891.3089 299.7071 -297.0948 -266.3961 759862.0529 -2.0967 -2.0664 PRESSURE: 4877400 51.7112 40.7393 -8.90408 40.7399 -87.5305 -83.0883 -8.90334 -83.0884 -270.503 GPRESSURE: 4877400 55.6675 -45.4134 -34.834 30.7538 -68.8678 -53.8797 103.231 -101.539 -217.044 PRESSAVG: 4877400 4.01776 -13.8785 11.7549 -13.8785 -19.3575 48.0711 11.7549 48.0711 7.96262 GPRESSAVG: 4877400 2.85254 -12.9759 10.5841 -13.3422 -19.7727 48.7924 14.2479 46.7842 9.09532 TIMING: 4877400 CPU: 15716.7, 0.00311585/step Wall: 15716.7, 0.00311585/step, 0.106112 hours remaining, 235.355469 MB of memory in use. ENERGY: 4877400 3953.4451 20662.0171 14525.4316 257.3479 -203377.2256 2635.0184 0.0000 0.0000 51966.5046 -109377.4609 298.6522 -161343.9655 -109014.5737 299.8582 -102.1074 -76.7482 760756.0179 -2.4591 -2.6083 PRESSURE: 4877600 -92.5745 -135.207 -378.304 -135.207 -72.8884 13.2849 -378.304 13.2837 -141.094 GPRESSURE: 4877600 39.2461 -127.392 -325.891 -253.596 -37.4028 42.9275 -343.349 -21.6267 -217.746 PRESSAVG: 4877600 -2.12808 -36.9757 -6.16988 -36.9756 6.80896 -17.4622 -6.1699 -17.4623 0.642176 GPRESSAVG: 4877600 -0.682374 -35.781 -5.45657 -39.4273 7.50857 -16.97 -5.2044 -17.2616 -1.54823 TIMING: 4877600 CPU: 15717.4, 0.00313728/step Wall: 15717.4, 0.00313728/step, 0.106668 hours remaining, 235.425781 MB of memory in use. ENERGY: 4877600 4025.0601 20365.8746 14486.3958 238.6310 -203454.9504 2625.4276 0.0000 0.0000 52328.2104 -109385.3510 300.7309 -161713.5614 -109018.0306 299.5198 -102.1856 -71.9675 758333.8650 1.7744 1.7593 PRESSURE: 4877800 47.2915 48.2369 200.967 48.2366 -274.022 169.182 200.967 169.182 461.665 GPRESSURE: 4877800 30.2726 82.4603 193.264 -51.9142 -147.152 199.941 288.358 78.5386 441.735 PRESSAVG: 4877800 1.54575 -28.8258 -16.642 -28.8258 32.4055 -2.26547 -16.642 -2.26545 -1.08131 GPRESSAVG: 4877800 0.58338 -32.1637 -15.2622 -26.1332 33.6136 -4.03328 -17.7794 -2.34088 -0.55321 TIMING: 4877800 CPU: 15718, 0.0031353/step Wall: 15718, 0.0031353/step, 0.106426 hours remaining, 235.425781 MB of memory in use. ENERGY: 4877800 3923.2393 20600.2574 14479.1847 251.4168 -203573.1809 2828.5178 0.0000 0.0000 52168.3445 -109322.2204 299.8122 -161490.5648 -108962.2759 299.3735 78.3114 108.2854 761049.5889 10.9566 11.2146 PRESSURE: 4878000 22.7929 39.3826 -113.583 39.3829 -50.1608 -358.074 -113.584 -358.075 45.1839 GPRESSURE: 4878000 4.41269 91.7005 -106.69 112.042 -42.8839 -334.83 -62.9052 -223.275 126.577 PRESSAVG: 4878000 48.8462 -23.4751 -26.5068 -23.475 -21.3003 9.85116 -26.5068 9.85113 12.085 GPRESSAVG: 4878000 49.797 -21.6633 -26.8242 -23.3752 -22.6643 9.15741 -25.5086 11.4394 12.8561 TIMING: 4878000 CPU: 15718.6, 0.0031228/step Wall: 15718.6, 0.0031228/step, 0.105828 hours remaining, 235.425781 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: 4878000 4013.6272 20467.6837 14540.9937 248.8559 -203032.9274 2233.4508 0.0000 0.0000 52218.8309 -109309.4851 300.1023 -161528.3160 -108947.0762 299.3709 5.9387 29.3684 760302.5870 13.2103 13.3296 PRESSURE: 4878200 -36.7338 -11.8208 116.83 -11.8203 -297.349 32.6516 116.83 32.6512 -91.9797 GPRESSURE: 4878200 -76.4783 6.42315 153.131 62.677 -204.042 36.677 84.0526 -8.56012 -73.9304 PRESSAVG: 4878200 28.3797 -17.7112 -23.2584 -17.7112 -25.5289 -35.3367 -23.2584 -35.3368 1.01874 GPRESSAVG: 4878200 27.605 -19.3638 -24.0117 -16.5603 -26.1759 -32.0496 -25.3106 -36.1133 1.4646 TIMING: 4878200 CPU: 15719.2, 0.00312912/step Wall: 15719.2, 0.00312912/step, 0.105869 hours remaining, 235.425781 MB of memory in use. ENERGY: 4878200 3948.5730 20453.0465 14484.8248 256.1782 -203479.5113 2592.0187 0.0000 0.0000 52193.8350 -109551.0351 299.9587 -161744.8700 -109181.9538 299.3157 -142.0209 -118.1501 761115.3403 1.2898 0.9646 PRESSURE: 4878400 248.127 -208.962 37.9082 -208.962 369.043 -3.80973 37.9082 -3.81004 141.56 GPRESSURE: 4878400 279.607 -120.152 56.9695 -118.409 406.099 9.47341 44.1151 -8.48311 171.401 PRESSAVG: 4878400 23.0228 17.1717 -4.02961 17.1717 -65.3017 -24.825 -4.02959 -24.8251 -29.682 GPRESSAVG: 4878400 24.1487 18.069 -4.10082 16.4534 -64.453 -27.4583 -3.95607 -24.6761 -30.9779 TIMING: 4878400 CPU: 15719.9, 0.00312853/step Wall: 15719.9, 0.00312853/step, 0.105675 hours remaining, 235.425781 MB of memory in use. ENERGY: 4878400 4009.1962 20435.8037 14506.9956 252.4841 -203600.8218 2698.0513 0.0000 0.0000 52070.2793 -109628.0117 299.2486 -161698.2910 -109258.7934 299.0019 252.9102 285.7022 760575.8668 -23.9870 -23.7607 PRESSURE: 4878600 69.2989 65.6938 188.928 65.6947 -237.667 -44.5403 188.927 -44.54 -124.297 GPRESSURE: 4878600 67.5473 -78.3138 231.198 71.1523 -182.728 -65.1992 101.995 -121.48 -89.911 PRESSAVG: 4878600 36.6112 -64.7693 -27.4446 -64.7693 -27.5288 -54.711 -27.4445 -54.7111 1.76857 GPRESSAVG: 4878600 36.1354 -63.9749 -28.4343 -64.4254 -27.6423 -55.8552 -27.3631 -54.4823 2.31581 TIMING: 4878600 CPU: 15720.5, 0.00310532/step Wall: 15720.5, 0.00310532/step, 0.104718 hours remaining, 235.425781 MB of memory in use. ENERGY: 4878600 3972.7665 20438.9391 14542.9235 244.8408 -203532.4772 2626.0495 0.0000 0.0000 51979.8593 -109727.0985 298.7290 -161706.9578 -109366.7284 298.9706 -97.5551 -68.3639 761910.1579 3.6170 3.6030 PRESSURE: 4878800 251.099 94.6918 104.195 94.6919 92.6984 201.272 104.194 201.272 83.5447 GPRESSURE: 4878800 308.93 85.4677 184.394 226.139 165.833 204.576 90.6243 72.334 47.6565 PRESSAVG: 4878800 -3.07317 -83.0992 14.6388 -83.0992 2.41101 -51.3 14.6388 -51.3001 -2.55577 GPRESSAVG: 4878800 -2.33072 -84.9167 14.4941 -82.3247 1.86297 -50.0585 14.9805 -51.4531 -2.7118 TIMING: 4878800 CPU: 15721.1, 0.00312965/step Wall: 15721.1, 0.00312965/step, 0.105365 hours remaining, 235.425781 MB of memory in use. ENERGY: 4878800 4009.6179 20467.7917 14567.1912 268.0690 -203362.1460 2735.0299 0.0000 0.0000 51790.0040 -109524.4423 297.6379 -161314.4463 -109182.0987 298.6884 142.4475 174.1399 759997.5737 -1.0726 -1.0598 PRESSURE: 4879000 -196.245 -28.8729 -79.3431 -28.8728 -31.1557 163.496 -79.3432 163.496 -86.1855 GPRESSURE: 4879000 -168.587 -79.1247 -50.2438 14.6965 2.12637 144.331 -88.1112 295.503 -76.4166 PRESSAVG: 4879000 -45.7939 -18.7808 -48.1913 -18.7808 32.278 3.6775 -48.1913 3.67746 -5.40771 GPRESSAVG: 4879000 -46.3021 -17.0314 -46.5708 -19.0654 31.7973 5.24119 -48.9506 3.38485 -4.61582 TIMING: 4879000 CPU: 15721.7, 0.00312829/step Wall: 15721.7, 0.00312829/step, 0.105145 hours remaining, 235.425781 MB of memory in use. ENERGY: 4879000 4048.6511 20393.9473 14595.7431 236.8501 -203472.8085 2516.9888 0.0000 0.0000 51866.4191 -109814.2090 298.0770 -161680.6282 -109450.0361 298.4692 -104.5288 -80.9592 761377.5742 -6.3079 -6.3736 PRESSURE: 4879200 156.845 -12.7269 44.6716 -12.7274 -391.008 -139.717 44.672 -139.718 128.708 GPRESSURE: 4879200 149.082 -21.8357 97.1792 -89.1055 -343.349 -66.7667 35.384 -311.621 180.106 PRESSAVG: 4879200 50.9254 -73.8194 -6.94377 -73.8194 -47.5076 -41.6754 -6.94373 -41.6753 -16.8698 GPRESSAVG: 4879200 50.6988 -74.4329 -7.59342 -74.6964 -47.4647 -42.1935 -6.12857 -39.2076 -16.707 TIMING: 4879200 CPU: 15722.4, 0.00311656/step Wall: 15722.4, 0.00311656/step, 0.104578 hours remaining, 235.425781 MB of memory in use. ENERGY: 4879200 4058.5359 20606.5109 14546.6432 230.8692 -204100.9827 2797.0938 0.0000 0.0000 52030.0940 -109831.2358 299.0177 -161861.3298 -109472.1074 299.0620 -35.1516 -4.7203 759837.3357 -4.4840 -4.4910 PRESSURE: 4879400 -318.723 91.9408 -74.3023 91.9417 -347.348 104.84 -74.3022 104.84 282.851 GPRESSURE: 4879400 -318.545 38.623 -39.8773 121.919 -271.555 112.245 -122.214 91.4357 279.028 PRESSAVG: 4879400 1.17877 17.6868 32.0326 17.6869 -17.7538 -8.29658 32.0325 -8.29663 1.00013 GPRESSAVG: 4879400 1.5346 16.3152 32.2366 17.0219 -17.1282 -9.09829 33.2817 -10.6822 0.161847 TIMING: 4879400 CPU: 15723, 0.00314002/step Wall: 15723, 0.00314002/step, 0.105191 hours remaining, 235.425781 MB of memory in use. ENERGY: 4879400 4015.0562 20618.4070 14490.9309 227.4749 -203977.0562 2811.7132 0.0000 0.0000 51908.2683 -109905.2057 298.3175 -161813.4739 -109547.4152 299.1131 -127.7403 -103.6902 761852.3276 -5.1916 -5.1439 PRESSURE: 4879600 215.2 -220.13 -125.448 -220.13 10.1453 -26.9299 -125.448 -26.9289 83.3486 GPRESSURE: 4879600 192.735 -116.258 -106.013 -157.998 110.254 55.2486 -150.605 -4.3509 83.0544 PRESSAVG: 4879600 15.7683 -54.5552 -10.5768 -54.555 -14.2223 -22.8725 -10.5768 -22.8724 -19.1906 GPRESSAVG: 4879600 16.1451 -52.4888 -9.39488 -55.3713 -15.2224 -24.1877 -13.4044 -21.1688 -18.7825 TIMING: 4879600 CPU: 15723.6, 0.00314455/step Wall: 15723.6, 0.00314455/step, 0.105168 hours remaining, 235.425781 MB of memory in use. ENERGY: 4879600 3927.7317 20501.2691 14551.3007 243.7448 -203995.9941 2864.0187 0.0000 0.0000 52088.2040 -109819.7251 299.3516 -161907.9291 -109450.6128 298.8388 102.8978 128.6810 760936.8802 -5.8815 -5.9533 PRESSURE: 4879800 -369.656 133.466 -28.0639 133.465 61.0018 101.362 -28.0642 101.362 193.874 GPRESSURE: 4879800 -319.327 119.885 -5.10886 93.3302 97.9526 135.026 -126.108 -123.295 195.939 PRESSAVG: 4879800 -25.0771 -50.5888 26.0604 -50.5889 -8.76177 -61.3478 26.0604 -61.348 4.12535 GPRESSAVG: 4879800 -24.9878 -51.8023 26.3099 -49.5477 -9.58504 -59.6519 28.4738 -63.3984 4.24985 TIMING: 4879800 CPU: 15724.3, 0.00313975/step Wall: 15724.3, 0.00313975/step, 0.104833 hours remaining, 235.425781 MB of memory in use. ENERGY: 4879800 3939.1863 20485.2686 14585.9829 237.3371 -203670.3108 2576.0068 0.0000 0.0000 52146.5173 -109700.0118 299.6868 -161846.5291 -109333.7100 298.7834 -38.2598 -8.4784 761213.7136 -9.9045 -10.1077 PRESSURE: 4880000 -303.372 -39.1985 -100.918 -39.199 -387.1 53.1598 -100.918 53.1593 -304.549 GPRESSURE: 4880000 -234.241 -92.0254 -39.3827 7.77773 -339.217 34.3702 -99.717 34.8432 -313.601 PRESSAVG: 4880000 17.4519 -19.8277 6.76583 -19.8277 -34.4452 12.1995 6.76581 12.1994 21.5177 GPRESSAVG: 4880000 17.3749 -18.676 5.7177 -18.5653 -34.191 11.5541 4.9218 13.0224 21.6407 TIMING: 4880000 CPU: 15724.9, 0.00314311/step Wall: 15724.9, 0.00314311/step, 0.10477 hours remaining, 235.425781 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: 4880000 4070.8329 20454.8395 14476.2126 245.6001 -203417.7403 2248.2045 0.0000 0.0000 52021.1697 -109900.8811 298.9664 -161922.0508 -109536.1486 299.0418 -331.6739 -295.6864 759509.7730 1.5081 1.6082 PRESSURE: 4880200 -108.245 -3.01169 48.8631 -3.01194 -4.83054 -19.0232 48.863 -19.0235 -396.336 GPRESSURE: 4880200 -162.455 -47.0411 66.9069 -115.385 -15.2622 -25.3552 49.9837 -181.973 -266.526 PRESSAVG: 4880200 44.9255 -55.1036 -44.355 -55.1037 -23.0973 2.46556 -44.355 2.46563 -33.4308 GPRESSAVG: 4880200 44.9556 -57.0958 -42.6744 -57.1238 -22.3856 3.60551 -44.0458 1.84209 -33.7955 TIMING: 4880200 CPU: 15725.5, 0.0031205/step Wall: 15725.5, 0.0031205/step, 0.103843 hours remaining, 235.425781 MB of memory in use. ENERGY: 4880200 4009.8810 20409.2735 14491.5601 252.4451 -203327.0640 2287.0574 0.0000 0.0000 51946.9356 -109929.9112 298.5398 -161876.8468 -109571.1983 298.4863 -169.8039 -148.0811 759361.9955 -3.8675 -3.7418 LDB: ============= START OF LOAD BALANCING ============== 15737.9 LDB: ============== END OF LOAD BALANCING =============== 15737.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15737.9 LDB: ============= START OF LOAD BALANCING ============== 15738.2 LDB: Largest compute 7064 load 0.031119 is 15.9% of average load 0.195602 LDB: Average compute 0.004352 is 2.2% of average load 0.195602 LDB: TIME 15738.2 LOAD: AVG 0.195602 MAX 0.211973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 15738.2 LOAD: AVG 0.195602 MAX 0.211973 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 15738.2 LOAD: AVG 0.195602 MAX 0.211973 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 15738.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15738.2 PRESSURE: 4880400 168.031 223.944 30.6617 223.944 92.4282 -59.6683 30.6618 -59.6677 233.889 GPRESSURE: 4880400 198.618 197.381 15.2692 201.218 162.675 -36.7852 -41.6584 77.9753 213.574 PRESSAVG: 4880400 32.2843 -27.56 -39.8022 -27.56 -16.8259 -16.3236 -39.8021 -16.3235 -4.36641 GPRESSAVG: 4880400 31.7441 -25.3183 -41.4191 -28.5072 -16.837 -16.6919 -39.36 -16.3347 -3.7345 TIMING: 4880400 CPU: 15726.1, 0.00318526/step Wall: 15726.1, 0.00318526/step, 0.105821 hours remaining, 235.394531 MB of memory in use. ENERGY: 4880400 3953.9303 20497.5321 14541.9441 240.8835 -203632.5728 2728.3771 0.0000 0.0000 51886.5382 -109783.3674 298.1926 -161669.9057 -109423.8971 298.5409 164.7825 191.6224 759770.0460 3.6973 3.7242 PRESSURE: 4880600 35.6126 72.759 -172.813 72.7588 303.765 24.2597 -172.813 24.2596 244.012 GPRESSURE: 4880600 81.1133 -8.2045 -109.694 145.874 206.693 62.9815 -185.84 -33.0749 384.497 PRESSAVG: 4880600 44.6547 -46.6588 -27.8924 -46.6588 -25.2744 11.0986 -27.8924 11.0985 -6.49778 GPRESSAVG: 4880600 44.1397 -48.684 -26.3233 -43.4333 -23.4475 9.8791 -28.6064 9.87436 -7.48646 TIMING: 4880600 CPU: 15726.8, 0.00313156/step Wall: 15726.8, 0.00313156/step, 0.103863 hours remaining, 235.394531 MB of memory in use. ENERGY: 4880600 3929.8386 20489.0990 14510.6399 257.2028 -203266.3634 2395.2332 0.0000 0.0000 51816.6235 -109867.7263 297.7908 -161684.3499 -109504.0538 298.5610 194.4633 224.1010 759651.6492 4.2942 4.4019 PRESSURE: 4880800 -31.3524 54.5719 -126.123 54.5713 -37.3591 -284.359 -126.123 -284.357 -122.429 GPRESSURE: 4880800 -118.374 49.8502 -165.72 94.023 120.296 -340.003 -34.2024 -112.515 -88.2759 PRESSAVG: 4880800 18.9924 -30.4431 -11.8008 -30.4431 -8.34785 -36.2252 -11.8008 -36.2251 12.8176 GPRESSAVG: 4880800 19.1172 -29.3603 -12.8875 -31.3144 -9.5265 -36.5014 -11.3401 -33.2941 13.6505 TIMING: 4880800 CPU: 15727.4, 0.00313535/step Wall: 15727.4, 0.00313535/step, 0.103815 hours remaining, 235.464844 MB of memory in use. ENERGY: 4880800 3966.2661 20494.5275 14486.9549 249.1157 -203617.2462 2412.6382 0.0000 0.0000 52092.8119 -109914.9319 299.3781 -162007.7438 -109553.7494 298.4985 -63.7134 -28.7844 760632.9259 7.8207 7.7470 PRESSURE: 4881000 294.792 73.7806 -68.0949 73.781 28.9198 34.3702 -68.0949 34.3707 -346.071 GPRESSURE: 4881000 253.466 51.5359 -10.5411 96.7369 93.7249 106.079 -75.2505 -74.9655 -299.715 PRESSAVG: 4881000 11.7134 40.3012 7.94802 40.3012 -19.2978 8.98709 7.94806 8.98713 -8.40815 GPRESSAVG: 4881000 10.225 39.0868 7.23084 37.5753 -18.2886 9.87363 9.73595 8.04547 -7.94756 TIMING: 4881000 CPU: 15728, 0.00312693/step Wall: 15728, 0.00312693/step, 0.103362 hours remaining, 235.464844 MB of memory in use. ENERGY: 4881000 3937.0363 20337.2491 14490.0051 229.6103 -203345.3413 2533.6197 0.0000 0.0000 51924.1025 -109893.7182 298.4085 -161817.8208 -109521.4337 298.6807 -7.4530 15.8251 760044.5616 -5.3309 -5.3371 PRESSURE: 4881200 108.724 -267.098 -22.7585 -267.097 -151.365 42.5926 -22.7578 42.5944 77.286 GPRESSURE: 4881200 148.893 -173.233 39.0371 -268.213 -118 57.1327 -174.547 20.3518 86.3259 PRESSAVG: 4881200 39.8914 -9.37379 -51.0029 -9.37377 -10.2858 30.3696 -51.0029 30.3695 -13.2878 GPRESSAVG: 4881200 41.6604 -8.2665 -49.9045 -7.73084 -11.1052 29.2906 -55.5301 30.0966 -14.3696 TIMING: 4881200 CPU: 15728.6, 0.00313235/step Wall: 15728.6, 0.00313235/step, 0.103368 hours remaining, 235.464844 MB of memory in use. ENERGY: 4881200 3914.0599 20412.7644 14511.5540 260.6597 -203444.7917 2684.9078 0.0000 0.0000 51884.7583 -109776.0876 298.1824 -161660.8458 -109409.3977 298.1196 11.5482 39.0730 761364.6238 5.4392 5.3952 PRESSURE: 4881400 -108.718 -159.008 -175.244 -159.009 -121.882 34.7681 -175.245 34.769 -415.725 GPRESSURE: 4881400 -105.592 -156.879 -90.6098 -169.848 -34.0056 -16.3555 -54.609 8.97481 -414.177 PRESSAVG: 4881400 41.4766 -36.8207 -31.344 -36.8207 -42.458 38.12 -31.344 38.12 -0.402104 GPRESSAVG: 4881400 41.0182 -37.5132 -32.4926 -38.7103 -43.3022 39.6251 -26.6029 37.5249 1.24802 TIMING: 4881400 CPU: 15729.3, 0.00313587/step Wall: 15729.3, 0.00313587/step, 0.103309 hours remaining, 235.464844 MB of memory in use. ENERGY: 4881400 3974.0477 20563.8199 14450.9658 253.1405 -202832.9781 2144.0280 0.0000 0.0000 51880.3839 -109566.5923 298.1573 -161446.9762 -109203.5233 298.3727 -215.4414 -184.5915 761728.9857 -0.4612 -0.3454 PRESSURE: 4881600 -5.10049 -228.776 37.4433 -228.776 174.304 -21.764 37.4435 -21.7651 256.6 GPRESSURE: 4881600 4.40095 -220.483 11.7729 -156.258 209.008 3.80938 83.4485 -42.5212 314.074 PRESSAVG: 4881600 36.9565 -39.7656 -45.3101 -39.7656 -12.9329 16.8648 -45.3101 16.8647 22.4073 GPRESSAVG: 4881600 37.5512 -38.148 -45.7458 -37.9627 -11.8896 16.4204 -44.6733 18.3388 21.5935 TIMING: 4881600 CPU: 15729.9, 0.00313008/step Wall: 15729.9, 0.00313008/step, 0.102945 hours remaining, 235.464844 MB of memory in use. ENERGY: 4881600 3971.0392 20508.7993 14491.1441 234.2274 -203127.8411 2553.2496 0.0000 0.0000 52270.4708 -109098.9107 300.3991 -161369.3815 -108739.0288 299.4724 141.9347 175.8277 761950.9253 15.4770 15.7517 PRESSURE: 4881800 -63.0909 -54.6129 -4.87188 -54.6129 -204.177 -3.50991 -4.87189 -3.50911 -469.182 GPRESSURE: 4881800 -80.7789 -135.214 -14.9779 -9.95591 -136.06 63.3556 -89.4094 52.696 -423.389 PRESSAVG: 4881800 38.6641 -11.6033 -27.5118 -11.6033 14.1714 38.465 -27.5118 38.465 23.4059 GPRESSAVG: 4881800 39.8225 -13.1097 -26.7405 -11.1167 14.3103 39.5928 -29.0047 36.939 22.5875 TIMING: 4881800 CPU: 15730.5, 0.00313508/step Wall: 15730.5, 0.00313508/step, 0.102935 hours remaining, 235.535156 MB of memory in use. ENERGY: 4881800 4011.1108 20567.9983 14509.9215 247.0892 -203277.6740 2465.4607 0.0000 0.0000 52242.5301 -109233.5633 300.2385 -161476.0934 -108867.9737 300.2036 -245.4833 -213.4091 761166.1925 25.4138 25.5734 PRESSURE: 4882000 -156.443 24.7902 8.24536 24.791 -168.856 185.212 8.24517 185.212 -10.8588 GPRESSURE: 4882000 -187.43 -38.8843 5.88333 32.0577 -126.949 84.5065 -30.6727 274.133 63.2382 PRESSAVG: 4882000 15.5516 -25.0765 -36.7334 -25.0765 24.5642 8.33834 -36.7334 8.33831 4.04139 GPRESSAVG: 4882000 15.0825 -27.096 -36.9397 -24.617 24.3283 9.28389 -36.9164 7.51871 5.20483 TIMING: 4882000 CPU: 15731.2, 0.00311472/step Wall: 15731.2, 0.00311473/step, 0.102094 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4882000 3977.3378 20368.3851 14491.8552 250.9123 -203070.2813 2280.7395 0.0000 0.0000 52427.2553 -109273.7961 301.3002 -161701.0513 -108902.0681 299.8616 -112.0525 -83.7134 761493.3369 14.7191 14.8719 PRESSURE: 4882200 -120.354 10.5436 -45.888 10.5433 232.585 257.906 -45.8879 257.906 -110.888 GPRESSURE: 4882200 0.603943 14.643 -26.9132 1.43847 232.951 228.031 130.947 173.039 -131.28 PRESSAVG: 4882200 -4.37197 36.8771 -42.7488 36.8771 22.2501 23.4241 -42.749 23.4242 29.4252 GPRESSAVG: 4882200 -4.28711 38.5016 -42.9725 34.311 21.9113 19.6384 -42.631 25.2825 29.0605 TIMING: 4882200 CPU: 15731.8, 0.00310826/step Wall: 15731.8, 0.00310826/step, 0.101709 hours remaining, 235.734375 MB of memory in use. ENERGY: 4882200 4053.6889 20627.2891 14493.9503 239.8743 -203299.4816 2318.4497 0.0000 0.0000 52277.6648 -109288.5645 300.4405 -161566.2293 -108927.4101 300.2655 0.4477 34.0919 760476.5461 15.7678 15.5616 PRESSURE: 4882400 304.927 -40.6462 -66.1679 -40.6446 -89.3383 193.847 -66.168 193.846 -101.841 GPRESSURE: 4882400 258.941 81.9577 33.1881 -56.2867 -15.0979 126.954 -54.8407 307.529 -50.3916 PRESSAVG: 4882400 -0.0273722 34.366 -36.0367 34.366 10.7374 38.4654 -36.0367 38.4654 -12.8104 GPRESSAVG: 4882400 -2.13149 36.2828 -36.3899 34.8471 12.0096 38.4526 -35.9066 38.5664 -11.8941 TIMING: 4882400 CPU: 15732.4, 0.00313392/step Wall: 15732.4, 0.00313392/step, 0.102375 hours remaining, 235.734375 MB of memory in use. ENERGY: 4882400 3986.4346 20528.4632 14586.9879 235.8016 -203678.1714 2683.9470 0.0000 0.0000 52179.6396 -109476.8974 299.8771 -161656.5370 -109109.8675 299.9328 37.9160 64.4837 760002.6711 -0.7001 -0.6720 PRESSURE: 4882600 -311.53 175.226 -25.4336 175.226 259.443 255.132 -25.4332 255.133 281.499 GPRESSURE: 4882600 -167.03 262.991 -55.5171 56.0602 145.526 242.939 65.8421 260.85 333.692 PRESSAVG: 4882600 -17.6222 20.1889 -31.8925 20.1889 5.42139 32.1468 -31.8924 32.1469 -18.6205 GPRESSAVG: 4882600 -17.2509 18.5844 -30.7887 20.6289 4.62209 33.3463 -32.6357 31.3319 -18.5091 TIMING: 4882600 CPU: 15733, 0.00312187/step Wall: 15733, 0.00312187/step, 0.101808 hours remaining, 235.734375 MB of memory in use. ENERGY: 4882600 3965.7130 20546.2239 14466.6356 237.7935 -203586.9511 2632.9873 0.0000 0.0000 52096.1302 -109641.4677 299.3972 -161737.5979 -109289.1024 299.0242 76.4707 104.0629 761933.3617 -10.2738 -10.3793 PRESSURE: 4882800 -63.1419 -142.638 206.807 -142.639 -428.266 -154.011 206.806 -154.011 -190.055 GPRESSURE: 4882800 -81.3308 -54.7583 142.159 -214.46 -298.643 -121.036 184.875 -95.3893 -211.929 PRESSAVG: 4882800 -41.4342 -8.7612 -25.1096 -8.76124 67.9201 -27.1421 -25.1096 -27.1422 6.36158 GPRESSAVG: 4882800 -40.8718 -9.36528 -23.9402 -8.64139 67.6238 -27.6841 -24.3348 -24.8466 6.52982 TIMING: 4882800 CPU: 15733.6, 0.00311435/step Wall: 15733.6, 0.00311435/step, 0.101389 hours remaining, 235.734375 MB of memory in use. ENERGY: 4882800 3952.1580 20675.7193 14504.4073 245.0456 -203439.2311 2332.1582 0.0000 0.0000 51982.0948 -109747.6478 298.7418 -161729.7426 -109393.3443 298.6682 -227.1543 -197.3008 760913.1170 10.9492 11.0939 PRESSURE: 4883000 152.486 -45.9727 -185.065 -45.9723 191.517 -124.788 -185.066 -124.787 124.353 GPRESSURE: 4883000 176.731 -170.63 -228.068 -74.0844 214.861 -208.735 -257.114 -97.4449 164.977 PRESSAVG: 4883000 -47.0359 -87.3357 22.8641 -87.3356 26.9044 -31.4781 22.8641 -31.4782 7.53101 GPRESSAVG: 4883000 -47.0489 -86.8756 20.9401 -86.1883 26.9476 -30.4344 20.8471 -33.7085 7.64741 TIMING: 4883000 CPU: 15734.3, 0.00310643/step Wall: 15734.3, 0.00310643/step, 0.100959 hours remaining, 235.734375 MB of memory in use. ENERGY: 4883000 3998.3794 20542.3505 14463.8451 225.8865 -203723.2496 2859.9059 0.0000 0.0000 51984.9787 -109647.9035 298.7584 -161632.8822 -109296.1099 298.5730 156.1186 185.5230 760488.1171 -4.2002 -4.1513 PRESSURE: 4883200 -103.522 -30.0771 -78.017 -30.0774 -19.1312 -9.314 -78.017 -9.31445 -340.463 GPRESSURE: 4883200 -131.26 -15.6379 -129.225 56.0211 78.1959 1.77535 -81.6516 -76.4286 -336.284 PRESSAVG: 4883200 -14.9989 -23.8699 -1.33202 -23.8699 31.4185 -1.78051 -1.332 -1.78052 28.3799 GPRESSAVG: 4883200 -15.0497 -22.8073 -0.556755 -26.1762 32.378 -3.15189 2.12367 -1.98403 27.4672 TIMING: 4883200 CPU: 15734.9, 0.0031185/step Wall: 15734.9, 0.0031185/step, 0.101178 hours remaining, 235.734375 MB of memory in use. ENERGY: 4883200 3974.1016 20501.0484 14559.9668 247.3116 -203388.1199 2306.2777 0.0000 0.0000 52008.0645 -109791.3493 298.8911 -161799.4138 -109430.2970 298.7685 -154.3721 -129.7827 760678.7963 14.9332 14.9319 PRESSURE: 4883400 -224.239 123.356 97.4773 123.356 -169.615 258.052 97.4771 258.053 188.326 GPRESSURE: 4883400 -197.489 29.55 96.0766 141.547 -200.935 275.849 127.783 112.266 275.07 PRESSAVG: 4883400 -2.72134 0.889739 2.10019 0.889823 9.40936 6.19944 2.1002 6.19939 -19.4358 GPRESSAVG: 4883400 -3.89486 -1.51943 2.29762 4.53658 8.93206 7.36489 -0.948695 4.30627 -17.7771 TIMING: 4883400 CPU: 15735.5, 0.00309313/step Wall: 15735.5, 0.00309313/step, 0.100183 hours remaining, 235.734375 MB of memory in use. ENERGY: 4883400 3983.4891 20462.1372 14492.4136 247.3170 -203187.0400 2475.7783 0.0000 0.0000 51718.4024 -109807.5023 297.2264 -161525.9048 -109462.4233 298.5794 -68.5096 -41.1179 761266.8964 -4.2493 -4.2466 PRESSURE: 4883600 148.655 -100.618 -102.802 -100.618 -180.651 -42.417 -102.801 -42.4165 415.756 GPRESSURE: 4883600 249.156 -25.055 33.0536 -184.075 -166.969 -104.637 -98.4975 -60.6117 402.059 PRESSAVG: 4883600 101.929 -31.5816 28.7665 -31.5817 -74.6963 46.6968 28.7664 46.6968 -15.5358 GPRESSAVG: 4883600 103.541 -28.1233 28.213 -36.3389 -74.7135 46.0231 28.9186 50.2846 -17.1983 TIMING: 4883600 CPU: 15736.1, 0.00309758/step Wall: 15736.1, 0.00309758/step, 0.100155 hours remaining, 235.734375 MB of memory in use. ENERGY: 4883600 4004.5930 20427.3592 14488.7213 254.6559 -203637.8200 2612.9270 0.0000 0.0000 51953.5080 -109896.0556 298.5775 -161849.5636 -109532.5890 298.6427 127.9197 161.4153 758121.6206 3.8988 3.8764 PRESSURE: 4883800 305.509 -96.941 102.703 -96.9408 184.815 -11.1359 102.703 -11.1349 80.1263 GPRESSURE: 4883800 328.237 -162.102 -4.72671 15.5837 249.106 -35.5173 217.107 106.38 87.3367 PRESSAVG: 4883800 -15.0676 -39.6166 -14.7147 -39.6167 3.44421 26.2175 -14.7147 26.2175 25.8288 GPRESSAVG: 4883800 -15.2925 -41.6467 -14.1902 -37.4358 3.07459 27.0346 -12.8159 24.9968 25.8956 TIMING: 4883800 CPU: 15736.8, 0.00310175/step Wall: 15736.8, 0.00310175/step, 0.100118 hours remaining, 235.734375 MB of memory in use. ENERGY: 4883800 3924.6732 20307.7259 14444.4134 250.2778 -203623.6715 2691.5172 0.0000 0.0000 51980.5761 -110024.4878 298.7331 -162005.0639 -109661.9211 298.0860 190.1502 221.5599 760843.1039 4.7352 4.5592 PRESSURE: 4884000 -120.39 -46.1614 -0.528297 -46.1609 147.735 151.656 -0.528149 151.657 -277.117 GPRESSURE: 4884000 -43.703 -140.712 56.5768 -82.3645 146.166 246.985 84.5462 114.322 -268.917 PRESSAVG: 4884000 -17.1266 -4.46036 -18.9979 -4.46039 7.29729 14.1838 -18.998 14.1838 -1.87218 GPRESSAVG: 4884000 -17.8628 -4.84615 -19.0812 -5.76025 8.27391 14.142 -18.7634 13.858 -2.24069 TIMING: 4884000 CPU: 15737.4, 0.00311563/step Wall: 15737.4, 0.00311563/step, 0.100393 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4884000 3959.3401 20437.2903 14482.6043 257.3186 -203222.7092 2371.2464 0.0000 0.0000 52086.4371 -109628.4724 299.3415 -161714.9095 -109270.7799 298.5511 -83.2574 -55.4847 762780.3095 -3.9005 -3.9432 PRESSURE: 4884200 -83.5894 159.265 -30.1139 159.266 12.2205 -5.75354 -30.1139 -5.75392 222.63 GPRESSURE: 4884200 -47.4464 137.347 23.051 171.174 19.586 -30.3426 -29.9411 57.8084 282.385 PRESSAVG: 4884200 33.6902 -28.2895 -23.4979 -28.2895 5.21983 36.8924 -23.4979 36.8924 2.03831 GPRESSAVG: 4884200 33.7647 -28.2124 -23.4947 -26.0529 4.51828 37.8547 -24.193 39.4429 2.98657 TIMING: 4884200 CPU: 15738, 0.00310857/step Wall: 15738, 0.00310857/step, 0.0999922 hours remaining, 235.734375 MB of memory in use. ENERGY: 4884200 3869.3233 20491.0815 14546.5161 257.9309 -203163.0099 2412.5082 0.0000 0.0000 51819.0008 -109766.6492 297.8045 -161585.6500 -109415.9998 298.6113 50.4203 84.8416 760317.1577 13.6494 13.7565 LDB: ============= START OF LOAD BALANCING ============== 15750.4 LDB: ============== END OF LOAD BALANCING =============== 15750.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15750.4 LDB: ============= START OF LOAD BALANCING ============== 15750.7 LDB: Largest compute 7075 load 0.032239 is 16.5% of average load 0.195578 LDB: Average compute 0.004365 is 2.2% of average load 0.195578 LDB: TIME 15750.7 LOAD: AVG 0.195578 MAX 0.214082 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 15750.7 LOAD: AVG 0.195578 MAX 0.214082 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 15750.7 LOAD: AVG 0.195578 MAX 0.214082 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 15750.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15750.7 PRESSURE: 4884400 60.4452 232.049 -75.2259 232.05 -192.343 -171.444 -75.2265 -171.443 52.274 GPRESSURE: 4884400 -9.58766 184.025 -127.291 225.352 -134.97 -137.491 -27.8687 -129.997 140.917 PRESSAVG: 4884400 55.2371 -19.7074 -35.0029 -19.7074 -43.1348 -9.38805 -35.0029 -9.38809 -6.79236 GPRESSAVG: 4884400 53.3529 -16.5068 -33.8805 -21.5352 -43.3556 -8.88701 -35.9365 -12.2389 -4.83444 TIMING: 4884400 CPU: 15738.6, 0.00316172/step Wall: 15738.6, 0.00316172/step, 0.101526 hours remaining, 234.933594 MB of memory in use. ENERGY: 4884400 3899.9521 20498.8697 14561.9373 242.6069 -203294.7288 2438.7379 0.0000 0.0000 52193.2833 -109459.3417 299.9555 -161652.6250 -109091.3968 298.7302 -26.5414 -1.2135 761015.3074 1.7700 1.7210 PRESSURE: 4884600 26.3486 -39.594 -268.298 -39.5942 531.384 50.7103 -268.299 50.7106 355.139 GPRESSURE: 4884600 73.401 20.3273 -164.945 -137.318 588.077 18.174 -291.28 -22.3009 331.536 PRESSAVG: 4884600 -22.034 -41.0259 -89.6633 -41.0259 68.0734 -38.8575 -89.6633 -38.8574 6.08199 GPRESSAVG: 4884600 -21.0741 -43.3121 -91.8226 -40.1919 68.6588 -40.7316 -89.8775 -38.7318 4.28328 TIMING: 4884600 CPU: 15739.2, 0.00310828/step Wall: 15739.2, 0.00310829/step, 0.0996378 hours remaining, 235.136719 MB of memory in use. ENERGY: 4884600 3984.5076 20458.0243 14497.8126 246.3005 -203759.3666 2892.5555 0.0000 0.0000 52111.8017 -109568.3645 299.4872 -161680.1662 -109216.2790 299.3992 304.2908 331.0046 760285.3405 17.3738 17.2893 PRESSURE: 4884800 64.1241 -242.783 89.3252 -242.784 -110.398 3.97382 89.3246 3.97364 7.47077 GPRESSURE: 4884800 254.778 -164.458 55.0502 -215.947 -162.714 -85.699 116.454 0.698479 -37.2338 PRESSAVG: 4884800 35.1619 -5.21165 -47.9822 -5.21161 -23.0788 -6.81937 -47.9822 -6.81932 -8.62675 GPRESSAVG: 4884800 36.0771 -4.42228 -47.0282 -7.39957 -22.4946 -6.56915 -45.9121 -6.82056 -9.65679 TIMING: 4884800 CPU: 15739.9, 0.00311669/step Wall: 15739.9, 0.00311669/step, 0.0997339 hours remaining, 235.136719 MB of memory in use. ENERGY: 4884800 4027.3488 20311.9426 14542.7572 254.3520 -203718.5876 2796.8116 0.0000 0.0000 52040.6894 -109744.6861 299.0786 -161785.3755 -109387.2583 298.9972 -12.9343 18.2767 760122.3823 1.1521 1.3086 PRESSURE: 4885000 146.444 20.015 -108.095 20.0164 -120.156 -237.753 -108.095 -237.752 -68.6597 GPRESSURE: 4885000 160.934 -93.2665 -58.7936 -81.0938 -64.1218 -193.498 -51.6842 -305.833 -42.2866 PRESSAVG: 4885000 52.1761 -47.8251 -25.9987 -47.8251 -13.5214 -10.2622 -25.9986 -10.2622 0.751679 GPRESSAVG: 4885000 51.9904 -49.9184 -25.4124 -46.24 -14.489 -9.64394 -25.7487 -10.4375 2.01287 TIMING: 4885000 CPU: 15740.5, 0.00311252/step Wall: 15740.5, 0.00311252/step, 0.0994278 hours remaining, 235.136719 MB of memory in use. ENERGY: 4885000 3976.6029 20484.7039 14550.9697 246.1059 -203330.2996 2393.0423 0.0000 0.0000 51928.3875 -109750.4874 298.4332 -161678.8749 -109388.8401 298.6552 -14.1239 18.1751 760439.2791 13.1355 13.1714 PRESSURE: 4885200 107.624 -28.495 -9.73354 -28.4952 -220.057 -32.3328 -9.73314 -32.3333 89.5194 GPRESSURE: 4885200 144.777 -113.296 -14.4741 -42.3519 -133.822 49.5075 -10.7202 59.9111 34.4819 PRESSAVG: 4885200 47.1404 -46.354 -35.3221 -46.3539 -89.9046 -22.1563 -35.3222 -22.1563 -1.98744 GPRESSAVG: 4885200 47.4155 -46.3902 -36.3343 -45.8166 -90.1175 -23.0883 -35.2826 -22.0174 -2.19861 TIMING: 4885200 CPU: 15741.1, 0.00311229/step Wall: 15741.1, 0.00311229/step, 0.0992474 hours remaining, 235.136719 MB of memory in use. ENERGY: 4885200 3956.3477 20609.2947 14503.7451 239.1821 -203373.0861 2463.8429 0.0000 0.0000 51909.1925 -109691.4811 298.3228 -161600.6735 -109327.6054 298.4541 -7.6380 15.1457 762504.7785 -14.9172 -14.9669 PRESSURE: 4885400 141.28 -192.129 -81.811 -192.13 -55.2817 178.853 -81.8113 178.853 192.295 GPRESSURE: 4885400 273.557 -174.148 -61.9318 -194.161 -63.8644 188.583 -164.571 175.972 168.389 PRESSAVG: 4885400 15.6541 -46.9675 -38.6111 -46.9675 -8.23349 -33.0475 -38.6111 -33.0475 -2.62717 GPRESSAVG: 4885400 14.631 -46.379 -35.5038 -46.2507 -7.39789 -32.7637 -40.4051 -32.2572 -2.34893 TIMING: 4885400 CPU: 15741.7, 0.00310637/step Wall: 15741.7, 0.00310637/step, 0.0988862 hours remaining, 235.136719 MB of memory in use. ENERGY: 4885400 3950.7674 20478.8639 14522.3988 263.1465 -203513.2894 2540.1064 0.0000 0.0000 51827.0408 -109930.9657 297.8507 -161758.0065 -109569.7080 298.5407 92.7642 126.0270 762987.0594 1.5978 1.6281 PRESSURE: 4885600 -73.4924 -138.762 -146.309 -138.762 3.37355 -206.532 -146.309 -206.532 -259.759 GPRESSURE: 4885600 -35.5539 -112.395 -152.966 13.5927 44.0866 -201.6 -67.1696 -124.279 -233.155 PRESSAVG: 4885600 9.35085 -42.0494 -37.7451 -42.0494 -23.5739 -58.212 -37.7452 -58.2119 14.8744 GPRESSAVG: 4885600 9.17764 -42.8738 -40.7944 -42.8741 -24.4219 -57.5317 -36.6714 -59.4638 16.0118 TIMING: 4885600 CPU: 15742.4, 0.00309936/step Wall: 15742.4, 0.00309936/step, 0.0984907 hours remaining, 235.136719 MB of memory in use. ENERGY: 4885600 3936.1761 20490.9588 14517.9647 255.0656 -203418.2468 2470.2606 0.0000 0.0000 51779.6916 -109968.1294 297.5786 -161747.8211 -109606.0495 297.6505 -109.9594 -74.8741 760372.2698 0.2171 0.2558 PRESSURE: 4885800 78.3227 114.578 48.1543 114.578 114.982 -112.941 48.1532 -112.94 -51.3219 GPRESSURE: 4885800 125.681 -42.4516 29.6229 28.2179 83.6867 -154.476 53.6767 -3.29078 11.0654 PRESSAVG: 4885800 14.2331 -10.8946 -69.2565 -10.8946 -1.89154 3.75896 -69.2565 3.759 12.2251 GPRESSAVG: 4885800 14.9445 -12.2186 -69.4729 -10.5872 -1.83448 2.09573 -68.1184 4.95105 11.0585 TIMING: 4885800 CPU: 15743, 0.00309836/step Wall: 15743, 0.00309836/step, 0.0982868 hours remaining, 235.136719 MB of memory in use. ENERGY: 4885800 3970.2987 20363.8375 14508.7757 235.8791 -203610.6178 2758.5508 0.0000 0.0000 52016.2080 -109757.0681 298.9379 -161773.2760 -109387.2132 298.3774 47.3276 73.4776 760648.0455 8.1889 8.0562 PRESSURE: 4886000 -124.85 -51.3324 65.216 -51.3318 240.573 69.1924 65.215 69.1929 295.899 GPRESSURE: 4886000 -52.8984 -61.7098 38.2874 -62.2122 225.618 129.472 3.42452 -4.73356 318.443 PRESSAVG: 4886000 -66.9846 -38.2467 -42.5618 -38.2468 64.2588 38.1741 -42.5618 38.1741 11.3856 GPRESSAVG: 4886000 -67.0474 -38.578 -42.023 -37.6892 64.5514 38.6834 -45.0624 40.2614 11.2224 TIMING: 4886000 CPU: 15743.6, 0.00310474/step Wall: 15743.6, 0.00310474/step, 0.0983166 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 3948.2562 20531.5836 14554.3685 264.6045 -203281.9842 2473.9996 0.0000 0.0000 51887.0222 -109622.1496 298.1954 -161509.1717 -109251.3991 298.6417 137.2072 163.7207 760488.4252 2.8866 2.9088 PRESSURE: 4886200 -113.106 -126.266 -228.158 -126.266 -274.709 -131.982 -228.158 -131.982 -124.293 GPRESSURE: 4886200 -55.992 -146.913 -191.7 -119.037 -236.009 -76.9293 -203.756 -128.346 -139.062 PRESSAVG: 4886200 -13.3266 -65.9903 32.9199 -65.9903 45.3789 28.4869 32.9199 28.4868 9.55867 GPRESSAVG: 4886200 -13.0182 -63.8192 33.6251 -67.9362 45.3635 28.9963 33.9955 25.2804 9.46788 TIMING: 4886200 CPU: 15744.2, 0.00311568/step Wall: 15744.2, 0.00311568/step, 0.0984902 hours remaining, 235.136719 MB of memory in use. ENERGY: 4886200 3974.1477 20549.1895 14488.4046 237.6785 -203110.8006 2414.8062 0.0000 0.0000 51777.8784 -109668.6956 297.5682 -161446.5740 -109316.4571 298.7174 -170.7028 -143.6876 760590.3854 13.8703 13.9377 PRESSURE: 4886400 -521.094 -48.2708 -106.046 -48.2702 21.5692 34.8869 -106.046 34.8861 -191.402 GPRESSURE: 4886400 -506.919 -92.1256 21.0689 21.6142 58.2896 11.3487 -209.574 94.1428 -140.469 PRESSAVG: 4886400 -9.05159 -14.8267 -24.5198 -14.8268 13.314 2.49281 -24.5198 2.49278 -0.917523 GPRESSAVG: 4886400 -9.37531 -14.7459 -25.2402 -14.5559 12.7696 2.80813 -25.3277 4.95716 0.0613796 TIMING: 4886400 CPU: 15744.8, 0.00309101/step Wall: 15744.8, 0.00309101/step, 0.0975385 hours remaining, 235.136719 MB of memory in use. ENERGY: 4886400 3974.3003 20533.8380 14539.0054 248.8436 -202992.1181 2061.1855 0.0000 0.0000 52157.8764 -109477.0689 299.7520 -161634.9453 -109108.1179 298.7209 -230.3089 -196.3661 760322.4332 1.1150 1.1519 PRESSURE: 4886600 172.732 119.147 56.8815 119.148 -138.447 -102.446 56.8813 -102.446 149.829 GPRESSURE: 4886600 156.362 59.1395 127.599 143.389 -31.6779 -117.372 29.7602 -60.9584 147.192 PRESSAVG: 4886600 18.5252 -3.04012 4.33598 -3.04014 -18.9356 -3.24592 4.33605 -3.24591 26.7422 GPRESSAVG: 4886600 19.3819 -2.15277 6.01164 -3.3429 -18.2706 -5.30144 5.22444 -3.26451 25.0781 TIMING: 4886600 CPU: 15745.5, 0.00309846/step Wall: 15745.5, 0.00309846/step, 0.0976016 hours remaining, 235.136719 MB of memory in use. ENERGY: 4886600 4000.1464 20489.9432 14494.5280 243.4530 -203560.7875 2519.9955 0.0000 0.0000 52436.9004 -109375.8210 301.3556 -161812.7213 -109003.3357 299.5822 61.3711 90.6253 760361.5273 8.7773 8.7298 PRESSURE: 4886800 -284.229 -147.846 -234.038 -147.846 -117.923 -37.0955 -234.038 -37.0955 104.109 GPRESSURE: 4886800 -162.987 -29.0291 -282.919 -153.922 -140.788 -94.2903 -195.592 -120.147 81.1952 PRESSAVG: 4886800 -52.5142 -18.9481 -15.406 -18.9481 27.0163 -7.47316 -15.406 -7.47316 15.1282 GPRESSAVG: 4886800 -52.9848 -19.3353 -18.2979 -18.2969 26.3898 -6.52638 -14.6378 -7.75773 16.2825 TIMING: 4886800 CPU: 15746.1, 0.00312822/step Wall: 15746.1, 0.00312822/step, 0.0983652 hours remaining, 235.136719 MB of memory in use. ENERGY: 4886800 3899.9703 20427.8304 14594.0250 232.5866 -202712.6909 2182.1818 0.0000 0.0000 52012.4893 -109363.6074 298.9165 -161376.0968 -108989.8863 299.3419 -99.3479 -74.1931 761085.5677 -3.4566 -3.4375 PRESSURE: 4887000 -57.4209 -0.829722 -23.4435 -0.829786 -120.606 248.87 -23.443 248.869 5.75074 GPRESSURE: 4887000 -55.3234 18.1892 -65.3057 17.3055 -86.1172 263.733 -81.62 216.594 52.6442 PRESSAVG: 4887000 68.6517 -46.8064 -17.5486 -46.8064 -15.1976 -66.6052 -17.5486 -66.6052 -27.2124 GPRESSAVG: 4887000 67.9369 -47.5951 -16.1379 -46.4998 -14.1319 -64.0203 -16.5112 -68.7161 -27.285 TIMING: 4887000 CPU: 15746.7, 0.00311909/step Wall: 15746.7, 0.00311909/step, 0.0979047 hours remaining, 235.136719 MB of memory in use. ENERGY: 4887000 3968.8752 20610.8898 14563.5548 240.1518 -203203.1785 2448.1347 0.0000 0.0000 51935.5208 -109436.0514 298.4742 -161371.5721 -109082.8866 299.2405 -57.4252 -29.5988 759108.5919 8.7472 8.8400 PRESSURE: 4887200 -93.7131 -95.2122 -78.2037 -95.2123 63.2849 -78.6516 -78.2047 -78.6508 -125.759 GPRESSURE: 4887200 -72.8546 -120.673 -113.295 -2.50668 64.6117 -119.736 -64.3586 -199.225 -57.6717 PRESSAVG: 4887200 25.4067 -86.7597 -7.5278 -86.7598 36.7494 -17.528 -7.52778 -17.528 -11.1002 GPRESSAVG: 4887200 26.7704 -86.1155 -7.81703 -85.1046 35.2042 -18.9116 -9.5318 -16.3995 -10.9931 TIMING: 4887200 CPU: 15747.3, 0.00311369/step Wall: 15747.3, 0.00311369/step, 0.0975622 hours remaining, 235.136719 MB of memory in use. ENERGY: 4887200 3944.2585 20484.3882 14610.4392 258.4774 -203633.0669 2774.5234 0.0000 0.0000 52243.0835 -109317.8968 300.2417 -161560.9803 -108953.8377 299.7557 -52.0623 -21.9715 759741.9103 17.0186 16.9939 PRESSURE: 4887400 -195.799 179.62 -135.469 179.62 -96.0001 39.8198 -135.469 39.8191 -1.17154 GPRESSURE: 4887400 -154.593 140.154 -16.5674 217.35 -67.2159 12.9827 -99.3532 90.4185 17.6263 PRESSAVG: 4887400 -1.14464 -18.9643 19.8629 -18.9643 3.95371 -25.1692 19.8629 -25.1693 -12.6605 GPRESSAVG: 4887400 -2.74208 -20.4349 19.9667 -18.3375 5.50263 -25.6979 21.5929 -23.7058 -12.4346 TIMING: 4887400 CPU: 15748, 0.00312973/step Wall: 15748, 0.00312973/step, 0.0978909 hours remaining, 235.136719 MB of memory in use. ENERGY: 4887400 3944.7152 20513.9115 14542.1047 251.8276 -203212.6006 2495.0615 0.0000 0.0000 52402.4655 -109062.5147 301.1577 -161464.9802 -108688.5021 300.3502 -97.6569 -68.0610 761649.1464 -3.2838 -3.2247 PRESSURE: 4887600 -351.673 91.5688 -94.1922 91.5683 -177.11 -3.38623 -94.1924 -3.38695 -159.726 GPRESSURE: 4887600 -306.253 144.168 -52.3717 110.138 -138.912 0.990478 -210.066 204.504 -156.633 PRESSAVG: 4887600 -32.784 -21.7451 -5.11831 -21.7451 47.6475 -70.902 -5.11836 -70.902 1.9443 GPRESSAVG: 4887600 -31.4296 -19.3629 -6.42545 -24.4284 46.7943 -70.861 -5.91382 -71.2207 1.73915 TIMING: 4887600 CPU: 15748.6, 0.00312014/step Wall: 15748.6, 0.00312014/step, 0.0974178 hours remaining, 235.136719 MB of memory in use. ENERGY: 4887600 4041.7077 20575.4776 14532.8889 244.6056 -203430.2405 2507.1265 0.0000 0.0000 52253.4278 -109275.0063 300.3012 -161528.4341 -108916.3746 300.3614 -229.5029 -200.5993 761082.5613 5.6026 5.7013 PRESSURE: 4887800 -138.666 16.8314 57.6496 16.83 2.20786 -155.273 57.6495 -155.273 -82.3886 GPRESSURE: 4887800 -145.036 -60.7159 48.935 92.177 102.264 -164.475 -28.5879 -250.683 -96.3463 PRESSAVG: 4887800 -78.4317 -41.93 -4.03579 -41.93 23.6499 -34.2341 -4.03583 -34.2341 -8.16743 GPRESSAVG: 4887800 -78.9154 -44.0207 -2.39082 -40.5422 24.9866 -35.1555 -5.25105 -33.2596 -8.82512 TIMING: 4887800 CPU: 15749.2, 0.00312408/step Wall: 15749.2, 0.00312408/step, 0.0973673 hours remaining, 235.136719 MB of memory in use. ENERGY: 4887800 4038.1390 20561.4276 14480.2350 254.6848 -203058.7410 2356.4402 0.0000 0.0000 52146.9914 -109220.8231 299.6895 -161367.8144 -108857.0021 299.8330 -72.9488 -46.3727 761884.9796 -20.9831 -20.9180 PRESSURE: 4888000 80.5977 -131.814 -177.955 -131.814 209.734 -283.829 -177.954 -283.829 -224.719 GPRESSURE: 4888000 35.5118 -100.734 -215.982 -59.1244 288.329 -238.492 -173.572 -298.63 -175.064 PRESSAVG: 4888000 22.819 -32.2522 -52.5497 -32.2521 -8.42367 -58.8937 -52.5496 -58.8936 -16.701 GPRESSAVG: 4888000 23.6214 -32.5418 -52.349 -31.9796 -8.49826 -59.1177 -52.8462 -60.3242 -17.5322 TIMING: 4888000 CPU: 15749.8, 0.00310553/step Wall: 15749.8, 0.00310553/step, 0.0966164 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 4027.6185 20557.1174 14468.3255 263.5121 -202966.9762 2512.2570 0.0000 0.0000 52067.2386 -109070.9070 299.2311 -161138.1457 -108698.9025 299.8435 21.8706 49.5922 761341.6134 -0.7686 -0.8030 PRESSURE: 4888200 -354.645 -119.967 -36.6051 -119.968 -64.4222 -265.1 -36.6055 -265.101 -82.9526 GPRESSURE: 4888200 -265.226 -164.261 11.4846 -31.4591 -48.0388 -172.028 98.0495 -218.185 -83.3987 PRESSAVG: 4888200 -18.7738 -26.1147 47.2177 -26.1147 15.2778 -52.4105 47.2177 -52.4104 -6.23901 GPRESSAVG: 4888200 -18.9626 -23.8925 46.0832 -27.1918 14.2122 -51.3098 47.2724 -50.8109 -4.7043 TIMING: 4888200 CPU: 15750.5, 0.00310818/step Wall: 15750.5, 0.00310819/step, 0.0965264 hours remaining, 235.136719 MB of memory in use. ENERGY: 4888200 4107.7817 20685.2596 14461.2782 225.3156 -203329.1345 2518.3001 0.0000 0.0000 52190.8717 -109140.3276 299.9417 -161331.1993 -108788.5164 300.2999 -167.3400 -132.2212 760638.2463 -3.2450 -3.1516 LDB: ============= START OF LOAD BALANCING ============== 15762.9 LDB: ============== END OF LOAD BALANCING =============== 15762.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15762.9 LDB: ============= START OF LOAD BALANCING ============== 15763.2 LDB: Largest compute 7075 load 0.033538 is 17.2% of average load 0.195547 LDB: Average compute 0.004398 is 2.2% of average load 0.195547 LDB: TIME 15763.2 LOAD: AVG 0.195547 MAX 0.211907 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 15763.2 LOAD: AVG 0.195547 MAX 0.211907 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.266 MB LDB: TIME 15763.2 LOAD: AVG 0.195547 MAX 0.211907 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.266 MB LDB: ============== END OF LOAD BALANCING =============== 15763.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15763.2 PRESSURE: 4888400 -242.989 84.4299 -161.751 84.4297 -170.976 78.461 -161.75 78.4611 -34.9526 GPRESSURE: 4888400 -166.235 93.9884 -166.52 89.8595 -69.3 -14.231 -133.669 10.8088 -114.316 PRESSAVG: 4888400 9.7138 -32.5835 -5.63398 -32.5836 -20.3783 -23.1505 -5.63398 -23.1504 -9.27329 GPRESSAVG: 4888400 9.62772 -33.7265 -5.74285 -31.1471 -20.2356 -23.5528 -5.51669 -24.2819 -9.67875 TIMING: 4888400 CPU: 15751.1, 0.00318885/step Wall: 15751.1, 0.00318885/step, 0.0988543 hours remaining, 234.113281 MB of memory in use. ENERGY: 4888400 4107.4203 20537.6625 14569.9631 254.0306 -203680.3866 2726.7577 0.0000 0.0000 52173.2115 -109311.3410 299.8402 -161484.5525 -108954.9899 299.8111 -149.6392 -116.6171 759820.6991 -6.6459 -6.7622 PRESSURE: 4888600 -351.164 -82.9926 10.3025 -82.9923 17.1867 -134.708 10.3032 -134.709 -0.65943 GPRESSURE: 4888600 -313.96 -84.8776 24.2441 -144.555 42.7017 -88.0881 19.827 18.0325 46.2802 PRESSAVG: 4888600 -23.2716 -22.3834 -3.35669 -22.3834 21.2976 -8.89716 -3.35677 -8.8971 -7.26248 GPRESSAVG: 4888600 -22.5202 -21.9443 -4.2637 -24.0096 19.8998 -10.1903 -1.16874 -7.40726 -7.02162 TIMING: 4888600 CPU: 15751.7, 0.00309618/step Wall: 15751.7, 0.00309618/step, 0.0958097 hours remaining, 234.113281 MB of memory in use. ENERGY: 4888600 4045.9976 20500.6300 14646.3829 257.2795 -203251.0119 2308.6980 0.0000 0.0000 52135.1787 -109356.8452 299.6216 -161492.0239 -108999.2103 299.5844 -111.5457 -74.9926 761546.0187 -3.0788 -3.2140 PRESSURE: 4888800 -107.793 -123.574 56.6373 -123.573 -283.491 58.8444 56.6374 58.8441 195.472 GPRESSURE: 4888800 -27.8023 -141.415 60.0001 -48.8025 -262.108 59.1625 -0.224904 139.753 180.04 PRESSAVG: 4888800 28.2429 -0.329976 -41.1604 -0.329978 -43.5952 23.1116 -41.1605 23.1116 -35.0078 GPRESSAVG: 4888800 27.5653 -1.59272 -39.8153 -0.261114 -43.0877 21.4956 -44.4929 21.0253 -34.7472 TIMING: 4888800 CPU: 15752.3, 0.00310657/step Wall: 15752.3, 0.00310657/step, 0.0959584 hours remaining, 234.113281 MB of memory in use. ENERGY: 4888800 4033.6137 20542.6538 14576.5949 260.3437 -202883.4754 2109.1373 0.0000 0.0000 51943.9622 -109417.1700 298.5227 -161361.1322 -109052.2613 299.5664 -65.2707 -36.6232 761437.4497 -16.7867 -16.7565 PRESSURE: 4889000 -314.143 16.4569 149.495 16.4553 -274.239 -19.3032 149.495 -19.3023 -39.3885 GPRESSURE: 4889000 -265.44 -10.9796 131.37 14.9762 -244.156 -57.3052 87.6251 -14.5691 -18.1459 PRESSAVG: 4889000 30.9925 -2.03781 -30.653 -2.03783 -26.2237 -5.57089 -30.653 -5.57089 -9.39898 GPRESSAVG: 4889000 31.5377 -1.9589 -31.7615 -1.4049 -25.9574 -5.05962 -29.2898 -5.06273 -10.0104 TIMING: 4889000 CPU: 15752.9, 0.00310579/step Wall: 15752.9, 0.00310579/step, 0.0957618 hours remaining, 234.113281 MB of memory in use. ENERGY: 4889000 4030.0504 20437.2398 14573.1906 240.3939 -203276.6059 2275.3903 0.0000 0.0000 52207.0459 -109513.2950 300.0346 -161720.3409 -109150.7454 299.2884 -209.2569 -175.9140 760359.1905 -1.5434 -1.4767 PRESSURE: 4889200 94.9106 -83.3726 -29.735 -83.3721 352.146 27.8643 -29.735 27.8647 22.145 GPRESSURE: 4889200 151.691 111.543 -7.55146 -36.3987 267.128 -130.345 -37.6982 13.0708 119.069 PRESSAVG: 4889200 24.1602 -23.7402 -8.62135 -23.7402 -52.3045 0.447716 -8.62132 0.447775 -17.2357 GPRESSAVG: 4889200 24.8994 -24.0948 -7.37879 -22.9228 -53.2636 2.62359 -7.98479 -0.725082 -17.9463 TIMING: 4889200 CPU: 15753.6, 0.00309055/step Wall: 15753.6, 0.00309055/step, 0.0951204 hours remaining, 234.113281 MB of memory in use. ENERGY: 4889200 3946.6676 20492.9869 14532.0964 246.8432 -203467.9886 2727.0678 0.0000 0.0000 52089.5527 -109432.7740 299.3594 -161522.3267 -109072.8315 299.3946 156.4005 179.2958 760172.7627 -15.1267 -15.4368 PRESSURE: 4889400 111.503 5.44191 -230.889 5.4424 56.0733 -116.948 -230.889 -116.948 -180.85 GPRESSURE: 4889400 53.4477 -52.4536 -177.844 -35.1148 147.558 -41.2355 -222.443 -152.589 -124.418 PRESSAVG: 4889400 -11.628 -11.7569 -64.5066 -11.7569 -0.876642 -42.8334 -64.5066 -42.8333 35.2018 GPRESSAVG: 4889400 -13.8988 -12.9774 -66.4868 -10.4091 0.752285 -43.9907 -63.6807 -41.1515 35.2641 TIMING: 4889400 CPU: 15754.2, 0.00310646/step Wall: 15754.2, 0.00310646/step, 0.0954372 hours remaining, 234.113281 MB of memory in use. ENERGY: 4889400 3949.6697 20537.8028 14482.6236 245.8464 -203487.2190 2724.4309 0.0000 0.0000 52102.1180 -109444.7277 299.4316 -161546.8457 -109072.2061 299.3758 -4.4245 25.5291 760688.9078 7.5657 7.3725 PRESSURE: 4889600 529.267 67.897 161.661 67.8975 202.611 -38.4152 161.662 -38.4157 156.057 GPRESSURE: 4889600 452.412 94.2102 62.9039 21.6217 372.22 18.446 159.406 -20.1396 154.111 PRESSAVG: 4889600 66.5523 -18.4985 -51.8956 -18.4985 -52.9471 21.001 -51.8955 21.001 -3.37856 GPRESSAVG: 4889600 66.0682 -18.1335 -50.58 -20.0624 -53.7028 21.6506 -51.9619 20.5593 -2.27849 TIMING: 4889600 CPU: 15754.8, 0.00312116/step Wall: 15754.8, 0.00312116/step, 0.0957156 hours remaining, 234.113281 MB of memory in use. ENERGY: 4889600 3985.7021 20487.8106 14470.8493 233.4232 -203898.2801 2930.0775 0.0000 0.0000 52363.7466 -109426.6707 300.9352 -161790.4173 -109062.7556 299.5998 295.9783 326.2475 759379.7335 3.4089 3.3623 PRESSURE: 4889800 -165.753 -336.094 -25.2656 -336.094 49.1333 -5.14832 -25.2657 -5.14954 2.40533 GPRESSURE: 4889800 -160.11 -225.843 20.4205 -484.6 97.3153 -50.0208 -76.7769 -139.268 25.2858 PRESSAVG: 4889800 5.92877 -35.0537 -48.5901 -35.0537 27.3344 -10.8812 -48.5901 -10.8812 -5.18427 GPRESSAVG: 4889800 6.62873 -34.1261 -48.8115 -35.6233 27.5171 -10.183 -50.4818 -11.3136 -5.41177 TIMING: 4889800 CPU: 15755.4, 0.00311484/step Wall: 15755.4, 0.00311484/step, 0.0953487 hours remaining, 234.113281 MB of memory in use. ENERGY: 4889800 3938.9207 20538.9482 14498.2811 234.2107 -203245.1226 2488.8491 0.0000 0.0000 52071.9498 -109473.9629 299.2582 -161545.9127 -109115.3120 299.8654 -38.0715 -12.5029 760510.3811 9.3596 9.5780 PRESSURE: 4890000 -224.688 38.9876 -54.4689 38.9884 -47.2981 -279.012 -54.4691 -279.011 -99.9685 GPRESSURE: 4890000 -197.934 23.5735 -208.837 43.1677 3.3814 -268.003 95.0945 -263.837 -88.1235 PRESSAVG: 4890000 70.3359 -21.6726 -23.2819 -21.6726 -5.40227 -33.2285 -23.282 -33.2285 19.5903 GPRESSAVG: 4890000 70.8115 -21.3277 -23.0702 -21.8509 -3.97293 -33.4759 -22.9036 -34.2939 18.1279 TIMING: 4890000 CPU: 15756.1, 0.00310846/step Wall: 15756.1, 0.00310846/step, 0.0949808 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4890000 3947.6773 20510.3529 14514.4618 256.7463 -203222.9991 2287.0484 0.0000 0.0000 52167.3231 -109539.3892 299.8063 -161706.7123 -109173.1716 299.4654 -123.9850 -94.2254 760160.1359 28.1746 28.3222 PRESSURE: 4890200 32.7602 -227.162 1.48756 -227.162 235.369 147.522 1.48715 147.522 3.33332 GPRESSURE: 4890200 84.7917 -208.645 -16.0938 -221.131 315.095 152.413 -70.4043 27.7012 -29.966 PRESSAVG: 4890200 7.85055 -33.5497 -68.078 -33.5497 6.68583 51.8064 -68.078 51.8065 4.18503 GPRESSAVG: 4890200 9.14841 -33.87 -69.5557 -31.5269 5.99976 51.9215 -66.1529 53.85 3.90758 TIMING: 4890200 CPU: 15756.7, 0.00310212/step Wall: 15756.7, 0.00310212/step, 0.0946145 hours remaining, 234.113281 MB of memory in use. ENERGY: 4890200 3940.1622 20489.0646 14516.4447 251.9233 -203689.9396 2924.4537 0.0000 0.0000 51914.9177 -109652.9733 298.3557 -161567.8910 -109293.7029 299.2616 90.4876 123.3069 759975.2075 6.2405 6.3519 PRESSURE: 4890400 52.1047 -2.61386 -218.907 -2.61367 43.7637 237.097 -218.907 237.098 -206.921 GPRESSURE: 4890400 106.739 160.337 -218.81 39.7735 70.9752 283.955 -109.703 187.728 -213.01 PRESSAVG: 4890400 -20.8894 5.15377 -92.1249 5.15387 -16.3543 5.28267 -92.1249 5.28258 0.0650925 GPRESSAVG: 4890400 -22.7218 4.37669 -90.9904 4.97547 -15.8185 6.14199 -92.7424 2.47157 1.34043 TIMING: 4890400 CPU: 15757.3, 0.00310949/step Wall: 15757.3, 0.00310949/step, 0.0946667 hours remaining, 234.113281 MB of memory in use. ENERGY: 4890400 3915.7174 20379.2008 14400.3058 249.4098 -203130.7508 2315.9235 0.0000 0.0000 52152.5873 -109717.6063 299.7216 -161870.1936 -109346.5430 298.3354 -37.0175 -11.7655 761176.6019 -12.3929 -12.4000 PRESSURE: 4890600 -399.949 -159.196 -39.9679 -159.196 -214.346 10.3357 -39.9683 10.3354 70.8947 GPRESSURE: 4890600 -350.962 -84.6349 -8.20785 -71.9163 -184.549 38.0085 -24.1695 -55.882 87.4716 PRESSAVG: 4890600 0.732153 40.6273 -51.5916 40.6272 -5.31946 -15.1133 -51.5915 -15.1133 16.841 GPRESSAVG: 4890600 1.593 40.9114 -50.782 40.3405 -5.7208 -16.7049 -54.4198 -11.4478 16.4302 TIMING: 4890600 CPU: 15757.9, 0.00311498/step Wall: 15757.9, 0.00311498/step, 0.0946607 hours remaining, 234.113281 MB of memory in use. ENERGY: 4890600 3970.5719 20325.3151 14505.0481 246.1294 -203309.0374 2486.5785 0.0000 0.0000 52029.5143 -109745.8801 299.0143 -161775.3944 -109386.6727 298.7055 -181.1336 -149.3464 762244.1361 4.0846 4.1008 PRESSURE: 4890800 -100.837 -23.2154 -72.2545 -23.2147 -82.2719 -16.1797 -72.2544 -16.1788 42.7425 GPRESSURE: 4890800 -20.5652 -43.2718 -92.6749 -32.4731 -84.5591 -115.544 -50.7227 -54.3065 50.876 PRESSAVG: 4890800 13.1897 -29.6873 -22.2092 -29.6872 -29.1742 2.29653 -22.2092 2.29648 -8.10786 GPRESSAVG: 4890800 13.4108 -29.9245 -23.5261 -30.8037 -28.7513 4.5395 -21.673 1.90504 -8.2607 TIMING: 4890800 CPU: 15758.5, 0.00311451/step Wall: 15758.5, 0.00311451/step, 0.0944734 hours remaining, 234.113281 MB of memory in use. ENERGY: 4890800 3998.0820 20476.1014 14495.0302 238.8534 -203240.0095 2378.0916 0.0000 0.0000 51847.4568 -109806.3942 297.9680 -161653.8509 -109446.0239 298.3092 -46.7887 -18.0828 761884.2458 -8.0308 -7.8671 PRESSURE: 4891000 -360.078 -233.963 -69.5727 -233.963 -157.684 11.1247 -69.573 11.1248 -558.618 GPRESSURE: 4891000 -189.803 -390.172 -17.0587 -148.222 -219.946 42.9895 -28.8219 105.562 -579.134 PRESSAVG: 4891000 -36.0194 -26.8556 -63.8793 -26.8556 9.83532 19.9537 -63.8793 19.9536 -8.38402 GPRESSAVG: 4891000 -35.8561 -24.1946 -63.6527 -28.6797 8.92272 17.0479 -62.338 19.0372 -7.6588 TIMING: 4891000 CPU: 15759.2, 0.00310276/step Wall: 15759.2, 0.00310276/step, 0.0939445 hours remaining, 234.113281 MB of memory in use. ENERGY: 4891000 3973.5466 20577.8104 14541.1469 227.5666 -202912.7890 2050.8891 0.0000 0.0000 52073.1425 -109468.6871 299.2651 -161541.8295 -109108.9093 299.2075 -358.7935 -329.6277 761641.8458 -11.5227 -11.5307 PRESSURE: 4891200 63.9146 188.076 -9.01513 188.076 6.89265 19.581 -9.01481 19.5808 -41.347 GPRESSURE: 4891200 97.1786 80.1261 20.6546 131.474 80.6411 23.4205 -22.4439 -125.976 -75.2131 PRESSAVG: 4891200 -27.9009 -56.0011 3.41738 -56.0011 1.41936 19.3465 3.41733 19.3465 -23.1618 GPRESSAVG: 4891200 -27.7534 -58.6364 2.52665 -55.3954 1.56546 20.5436 4.75437 18.4268 -23.2259 TIMING: 4891200 CPU: 15759.8, 0.00310354/step Wall: 15759.8, 0.00310354/step, 0.0937958 hours remaining, 234.113281 MB of memory in use. ENERGY: 4891200 3993.4874 20398.7034 14512.9812 250.0977 -203191.5133 2398.1210 0.0000 0.0000 52113.5953 -109524.5273 299.4975 -161638.1226 -109167.0737 299.1451 9.8201 34.2022 761544.4581 -16.5478 -16.4713 PRESSURE: 4891400 44.3131 -62.6764 -18.1072 -62.6759 -21.5694 294.552 -18.1074 294.552 -222.712 GPRESSURE: 4891400 -9.95517 -144.22 -12.6132 -134.866 46.7712 318.177 -63.9112 128.29 -140.618 PRESSAVG: 4891400 20.1935 -69.7679 -16.108 -69.7679 39.2845 33.4325 -16.1079 33.4324 -11.9223 GPRESSAVG: 4891400 18.9712 -70.0193 -16.7746 -67.7047 40.0934 34.9954 -17.496 32.5535 -11.4334 TIMING: 4891400 CPU: 15760.4, 0.00313556/step Wall: 15760.4, 0.00313556/step, 0.0945895 hours remaining, 234.113281 MB of memory in use. ENERGY: 4891400 4074.3727 20579.4981 14580.1437 258.3670 -203141.2617 2244.5709 0.0000 0.0000 51976.4116 -109427.8978 298.7092 -161404.3094 -109066.5443 299.2027 -66.6562 -34.6005 758970.1911 15.8519 15.8770 PRESSURE: 4891600 -326.272 -123.321 39.8868 -123.321 -175.345 86.2696 39.888 86.2689 280.969 GPRESSURE: 4891600 -195.181 -160.892 90.4547 -206.714 -148.908 24.5808 -16.2666 96.0783 220.908 PRESSAVG: 4891600 -59.8839 -63.0076 -40.8563 -63.0077 6.76344 53.7922 -40.8563 53.7922 -1.67407 GPRESSAVG: 4891600 -58.9216 -62.9964 -39.6827 -64.1392 6.97369 53.3307 -42.6105 57.394 -2.43258 TIMING: 4891600 CPU: 15761, 0.00311098/step Wall: 15761, 0.00311098/step, 0.0936751 hours remaining, 234.113281 MB of memory in use. ENERGY: 4891600 3983.5690 20531.1679 14521.6633 259.2547 -203328.3105 2252.9438 0.0000 0.0000 52088.0816 -109691.6303 299.3509 -161779.7118 -109329.4059 298.9196 -73.5495 -41.0605 759938.8585 -18.2649 -18.1268 PRESSURE: 4891800 -153.421 -149.969 -81.4226 -149.969 -266.055 -64.1855 -81.422 -64.1842 -6.16238 GPRESSURE: 4891800 -74.2747 -83.1897 -22.3388 -110.783 -286.025 8.59602 -77.6571 -65.2055 30.1083 PRESSAVG: 4891800 20.2386 -10.6375 38.0185 -10.6375 -26.8624 35.7732 38.0186 35.7732 -10.128 GPRESSAVG: 4891800 20.6752 -9.6624 39.2039 -10.1008 -27.482 34.0544 40.1473 36.7355 -10.0061 TIMING: 4891800 CPU: 15761.7, 0.00310721/step Wall: 15761.7, 0.00310721/step, 0.093389 hours remaining, 234.113281 MB of memory in use. ENERGY: 4891800 4045.0651 20707.0704 14546.7645 232.1109 -203349.7686 2410.5688 0.0000 0.0000 51823.5739 -109584.6150 297.8308 -161408.1889 -109227.4655 299.2874 -141.8794 -110.0640 760206.2478 -5.5839 -5.6043 PRESSURE: 4892000 -149.365 140.724 25.3119 140.724 -472.609 180.182 25.3103 180.182 -394.2 GPRESSURE: 4892000 -83.5678 93.9492 30.5578 144.595 -484.025 212.704 -76.136 58.1132 -357.904 PRESSAVG: 4892000 1.52085 -15.9353 -0.322094 -15.9353 12.3398 -4.12338 -0.32211 -4.12336 20.6536 GPRESSAVG: 4892000 0.531523 -17.7606 -0.081083 -14.8309 12.0979 -4.9178 -2.14905 -6.24922 21.059 TIMING: 4892000 CPU: 15762.3, 0.0031208/step Wall: 15762.3, 0.0031208/step, 0.0936239 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4892000 4047.4549 20500.5346 14528.7653 238.7172 -203177.0723 2312.5056 0.0000 0.0000 51987.4102 -109561.6845 298.7724 -161549.0947 -109212.1707 299.2810 -338.7244 -308.4990 759262.0278 11.5048 11.2295 PRESSURE: 4892200 -348.676 -169.388 -112.14 -169.39 -113.876 -45.8883 -112.14 -45.8873 -150.668 GPRESSURE: 4892200 -292.435 -146.186 -63.7792 -262.759 -138.424 -107.679 -239.601 -145.927 -97.3419 PRESSAVG: 4892200 -26.1991 -43.1004 -0.00290701 -43.1004 39.9977 27.9546 -0.00280666 27.9547 15.7474 GPRESSAVG: 4892200 -26.1744 -43.1879 -1.23181 -44.5594 40.8822 28.2553 -0.128882 28.9792 14.7929 TIMING: 4892200 CPU: 15762.9, 0.00310289/step Wall: 15762.9, 0.00310289/step, 0.0929144 hours remaining, 234.113281 MB of memory in use. ENERGY: 4892200 4004.5150 20529.4110 14440.9197 242.1149 -203480.2738 2658.0343 0.0000 0.0000 51857.2912 -109747.9877 298.0246 -161605.2788 -109407.0640 299.3282 -204.4065 -176.0670 761077.9441 9.8487 9.8335 LDB: ============= START OF LOAD BALANCING ============== 15775.3 LDB: ============== END OF LOAD BALANCING =============== 15775.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15775.3 LDB: ============= START OF LOAD BALANCING ============== 15775.6 LDB: Largest compute 7075 load 0.033227 is 17.0% of average load 0.195448 LDB: Average compute 0.004384 is 2.2% of average load 0.195448 LDB: TIME 15775.6 LOAD: AVG 0.195448 MAX 0.212777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.922 MB LDB: TIME 15775.6 LOAD: AVG 0.195448 MAX 0.212777 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: TIME 15775.6 LOAD: AVG 0.195448 MAX 0.212777 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: ============== END OF LOAD BALANCING =============== 15775.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15775.6 PRESSURE: 4892400 -215.088 165.639 -131.122 165.639 -59.2153 133.938 -131.123 133.937 251.564 GPRESSURE: 4892400 -122.846 116.52 -180.605 132.601 -73.0776 137.481 35.5389 118.82 281.469 PRESSAVG: 4892400 -43.3518 18.3738 -71.3226 18.3738 26.479 -19.5712 -71.3226 -19.5712 -2.15064 GPRESSAVG: 4892400 -42.2739 19.2863 -70.2986 20.0188 25.2374 -18.82 -72.4363 -20.2321 -1.73174 TIMING: 4892400 CPU: 15763.5, 0.00318236/step Wall: 15763.5, 0.00318236/step, 0.0951173 hours remaining, 234.113281 MB of memory in use. ENERGY: 4892400 3959.1911 20570.2277 14421.2372 246.2399 -203635.6023 2597.4245 0.0000 0.0000 52233.2481 -109608.0338 300.1852 -161841.2819 -109243.7563 299.2501 -7.5798 28.5152 760405.7946 -6.3411 -6.2560 PRESSURE: 4892600 -363.332 12.9304 -165.802 12.9296 -234.985 31.4899 -165.802 31.4897 -202.454 GPRESSURE: 4892600 -344.085 121.809 -174.166 -64.9937 -217.813 82.5273 -3.04577 -68.1154 -161.944 PRESSAVG: 4892600 -16.9996 1.04916 11.7419 1.04916 -5.46759 -30.038 11.7418 -30.038 12.4426 GPRESSAVG: 4892600 -17.3621 2.8519 10.7667 -2.06186 -5.05679 -28.1997 14.7029 -28.4598 12.7426 TIMING: 4892600 CPU: 15764.2, 0.00311761/step Wall: 15764.2, 0.00311761/step, 0.0930087 hours remaining, 234.425781 MB of memory in use. ENERGY: 4892600 3992.0215 20444.1283 14458.2754 238.6796 -203238.8195 2324.3827 0.0000 0.0000 52277.2698 -109504.0622 300.4382 -161781.3320 -109139.9079 299.7250 -266.9236 -241.2809 761797.3382 -3.3415 -3.2254 PRESSURE: 4892800 -358.035 112.435 63.8372 112.435 135.484 108.561 63.8372 108.561 -42.3241 GPRESSURE: 4892800 -245.323 170.477 33.3158 104.341 122.625 104.431 54.8444 65.3302 -46.2199 PRESSAVG: 4892800 1.64623 -13.0407 19.3342 -13.0406 16.9517 4.13613 19.3343 4.1361 7.79749 GPRESSAVG: 4892800 2.00451 -14.9341 18.9557 -9.6046 17.5911 2.37712 17.226 3.19321 7.03937 TIMING: 4892800 CPU: 15764.8, 0.00311733/step Wall: 15764.8, 0.00311733/step, 0.0928271 hours remaining, 234.425781 MB of memory in use. ENERGY: 4892800 4024.8069 20503.3916 14491.2725 243.0164 -203320.1554 2443.3743 0.0000 0.0000 52072.5863 -109541.7074 299.2619 -161614.2937 -109181.3967 299.8647 -88.2920 -56.3060 760067.7449 8.7985 8.8783 PRESSURE: 4893000 102.71 128.843 -88.1314 128.843 -29.8196 -350.737 -88.1311 -350.738 -7.40835 GPRESSURE: 4893000 109.335 26.4985 -101.594 122.594 52.0683 -324.538 -93.7274 -311.766 -21.6692 PRESSAVG: 4893000 40.2794 48.3635 -5.36637 48.3635 13.8217 -6.78253 -5.36634 -6.78257 10.916 GPRESSAVG: 4893000 39.78 48.6557 -4.72804 45.7673 13.7405 -5.59399 -3.64081 -6.00779 10.9148 TIMING: 4893000 CPU: 15765.4, 0.00309836/step Wall: 15765.4, 0.00309836/step, 0.0920901 hours remaining, 234.441406 MB of memory in use. ENERGY: 4893000 3973.7357 20482.1827 14410.4473 254.3966 -203276.8317 2671.9656 0.0000 0.0000 51855.8867 -109628.2171 298.0165 -161484.1038 -109257.2246 299.1106 21.8272 46.5779 761655.8655 21.6724 21.4784 PRESSURE: 4893200 140.681 92.1686 -264.126 92.1675 106.009 87.2126 -264.127 87.2125 4.98462 GPRESSURE: 4893200 212.679 174.588 -180.051 67.6749 81.0445 87.7941 -96.9188 65.1883 43.0284 PRESSAVG: 4893200 -40.4876 46.3484 -37.4354 46.3485 2.63378 69.5745 -37.4355 69.5745 -1.04962 GPRESSAVG: 4893200 -40.0507 47.8416 -37.3424 49.042 3.48303 70.0887 -36.8697 70.2173 -2.0068 TIMING: 4893200 CPU: 15766, 0.00311743/step Wall: 15766, 0.00311743/step, 0.0924836 hours remaining, 234.441406 MB of memory in use. ENERGY: 4893200 3950.6507 20349.3151 14502.9009 256.9310 -203495.7861 2596.0449 0.0000 0.0000 52075.2386 -109764.7048 299.2771 -161839.9435 -109397.5523 298.8821 83.8917 112.2505 762276.9017 -12.9678 -12.8582 PRESSURE: 4893400 -33.7323 -42.2086 150.565 -42.2082 -241.941 26.82 150.566 26.8196 320.008 GPRESSURE: 4893400 158.514 -55.2427 142.417 -8.97728 -279.11 -76.2735 253.929 -132.461 230.915 PRESSAVG: 4893400 28.8666 19.9998 -35.9515 19.9998 -40.5353 23.8333 -35.9516 23.8332 -22.6921 GPRESSAVG: 4893400 28.6715 17.8829 -36.9304 19.2696 -40.9516 21.7087 -36.6802 21.6926 -22.2294 TIMING: 4893400 CPU: 15766.6, 0.00309921/step Wall: 15766.6, 0.00309921/step, 0.0917712 hours remaining, 234.441406 MB of memory in use. ENERGY: 4893400 3972.7941 20459.3364 14410.9309 266.4377 -202923.2252 2349.8977 0.0000 0.0000 51873.8376 -109589.9908 298.1197 -161463.8284 -109240.2853 298.8499 14.7782 36.7727 761857.3140 -11.4536 -11.5032 PRESSURE: 4893600 16.7742 31.8939 35.3527 31.8935 -293.8 -132.079 35.3526 -132.079 -291.713 GPRESSURE: 4893600 -57.5947 69.1654 40.5686 71.4156 -158.533 -248.735 -38.933 -60.0706 -264.441 PRESSAVG: 4893600 79.0205 -36.34 -19.9237 -36.3399 -61.0138 13.8121 -19.9237 13.8122 -11.5474 GPRESSAVG: 4893600 79.161 -38.421 -19.1028 -36.0613 -60.4529 15.1359 -21.1381 12.8859 -12.3003 TIMING: 4893600 CPU: 15767.3, 0.00311994/step Wall: 15767.3, 0.00311994/step, 0.0922116 hours remaining, 234.441406 MB of memory in use. ENERGY: 4893600 3953.5908 20565.4472 14413.7570 249.9366 -202889.0862 2263.4952 0.0000 0.0000 52112.2975 -109330.5619 299.4901 -161442.8594 -108970.1022 299.4721 -189.5797 -160.1893 761471.2677 2.1531 2.1359 PRESSURE: 4893800 -11.2597 50.8562 11.2244 50.8563 297.375 17.8032 11.224 17.8028 152.555 GPRESSURE: 4893800 66.6614 -78.1744 11.1078 129.115 271.47 90.1235 -81.792 -16.6838 173.699 PRESSAVG: 4893800 -8.67952 -30.2737 -9.33319 -30.2737 19.9304 0.00438326 -9.3332 0.0043614 11.4865 GPRESSAVG: 4893800 -8.86846 -30.4184 -9.94443 -28.7593 19.0291 1.75176 -7.29347 0.893265 12.2382 TIMING: 4893800 CPU: 15767.9, 0.0031052/step Wall: 15767.9, 0.0031052/step, 0.0916035 hours remaining, 234.441406 MB of memory in use. ENERGY: 4893800 3975.1231 20332.1861 14515.2275 234.8668 -203238.2078 2578.5617 0.0000 0.0000 52165.6736 -109436.5691 299.7968 -161602.2427 -109063.9412 300.0926 146.2234 170.6099 759768.5274 7.5791 7.4663 PRESSURE: 4894000 136.939 -30.332 -6.67963 -30.3322 -159.743 60.2056 -6.67896 60.2059 9.44994 GPRESSURE: 4894000 192.038 -125.632 -7.87766 -16.2818 -125.904 165.117 12.0597 35.6233 20.065 PRESSAVG: 4894000 9.66383 -42.3784 -21.5851 -42.3784 27.9355 61.7604 -21.5851 61.7604 14.8617 GPRESSAVG: 4894000 11.1106 -40.6774 -21.8413 -44.3123 27.6032 62.2374 -23.311 60.9523 13.936 TIMING: 4894000 CPU: 15768.5, 0.00310471/step Wall: 15768.5, 0.00310471/step, 0.0914165 hours remaining, 234.441406 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: 4894000 3981.7749 20455.5056 14469.5366 248.9913 -203145.0044 2527.3557 0.0000 0.0000 51978.8894 -109482.9509 298.7234 -161461.8403 -109128.1968 299.3370 -4.4511 28.7332 761818.0155 17.4870 17.5499 PRESSURE: 4894200 116.182 71.9264 12.8707 71.9258 100.918 -156.584 12.8708 -156.584 128.304 GPRESSURE: 4894200 164.053 -4.25212 52.3273 238.023 161.79 -185.276 105.118 -155.177 122.931 PRESSAVG: 4894200 37.4036 -2.06797 7.53245 -2.06795 -9.48455 34.0183 7.53243 34.0184 10.1246 GPRESSAVG: 4894200 36.5673 -2.8748 7.10483 -0.941696 -9.15928 30.5697 9.37916 36.8143 11.1788 TIMING: 4894200 CPU: 15769.1, 0.00311453/step Wall: 15769.1, 0.00311453/step, 0.0915326 hours remaining, 234.441406 MB of memory in use. ENERGY: 4894200 4037.0363 20557.2778 14455.1110 254.2224 -203347.0379 2623.5753 0.0000 0.0000 52165.9148 -109253.9002 299.7982 -161419.8150 -108911.2555 299.6811 115.1348 149.5913 760359.1093 12.6812 12.8623 PRESSURE: 4894400 -3.696 -183.644 -17.3572 -183.645 -274.197 -222.659 -17.3576 -222.658 -326.396 GPRESSURE: 4894400 -8.78906 -96.9337 -47.3573 -76.2774 -245.078 -236.434 107.924 -226.426 -265.484 PRESSAVG: 4894400 14.2918 -44.5146 -11.8098 -44.5146 -42.7657 21.4822 -11.8098 21.4823 17.7956 GPRESSAVG: 4894400 14.1963 -42.0642 -10.8449 -45.998 -43.0787 21.822 -11.7387 19.9304 18.0557 TIMING: 4894400 CPU: 15769.8, 0.00311199/step Wall: 15769.8, 0.00311199/step, 0.0912851 hours remaining, 234.441406 MB of memory in use. ENERGY: 4894400 4000.0962 20686.5178 14436.9462 257.3263 -202949.0523 2401.9066 0.0000 0.0000 52011.9344 -109154.3248 298.9133 -161166.2592 -108799.2206 300.0073 -201.4299 -173.1171 760350.1997 -3.5594 -3.6089 PRESSURE: 4894600 -386.926 -272.943 108.875 -272.943 -58.5698 82.6774 108.874 82.6773 62.7207 GPRESSURE: 4894600 -215.501 -136.427 34.5578 -317.703 -103.283 119.358 77.2242 -10.3152 3.62741 PRESSAVG: 4894600 61.4124 23.014 -3.07861 23.014 14.2286 36.0125 -3.07855 36.0124 5.67876 GPRESSAVG: 4894600 61.0989 22.0537 -4.50766 24.5932 14.9795 37.1357 -4.17724 35.3815 5.34897 TIMING: 4894600 CPU: 15770.4, 0.00310983/step Wall: 15770.4, 0.00310983/step, 0.091049 hours remaining, 234.441406 MB of memory in use. ENERGY: 4894600 4045.8548 20741.7879 14378.4214 266.8420 -203508.5732 2815.8960 0.0000 0.0000 52095.2689 -109164.5023 299.3922 -161259.7712 -108801.5504 299.8985 -127.5916 -105.0522 760917.3966 27.1066 27.1424 PRESSURE: 4894800 139.481 43.444 -69.3318 43.4438 -40.1065 267.493 -69.3314 267.494 -193.624 GPRESSURE: 4894800 277.298 12.9649 -95.3118 -67.4826 -97.4341 214.697 -56.0722 179.301 -186.785 PRESSAVG: 4894800 -26.9238 -16.2674 -16.5974 -16.2674 16.5052 29.091 -16.5974 29.091 11.8703 GPRESSAVG: 4894800 -25.8915 -16.7127 -14.6116 -16.9163 15.781 27.9293 -16.3653 29.8066 11.5965 TIMING: 4894800 CPU: 15771, 0.00312827/step Wall: 15771, 0.00312827/step, 0.0914149 hours remaining, 234.441406 MB of memory in use. ENERGY: 4894800 3973.0049 20509.6048 14450.0541 270.0733 -203028.0520 2440.9090 0.0000 0.0000 52306.9014 -109077.5046 300.6085 -161384.4059 -108709.2905 300.4270 -31.4163 -2.3068 761298.9035 0.4839 0.4954 PRESSURE: 4895000 -87.9215 -57.0928 -117.554 -57.0915 73.9064 72.2174 -117.555 72.2161 79.5064 GPRESSURE: 4895000 1.45515 -19.8506 -170.419 -32.6292 66.3248 40.1666 -13.5139 30.8968 119.745 PRESSAVG: 4895000 -0.440803 -12.3606 -26.595 -12.3607 -0.000484407 59.8012 -26.595 59.8011 23.1897 GPRESSAVG: 4895000 -1.22179 -11.5317 -28.4889 -14.3231 -0.486108 60.3404 -27.5295 61.2469 24.7031 TIMING: 4895000 CPU: 15771.6, 0.00309937/step Wall: 15771.6, 0.00309937/step, 0.0903983 hours remaining, 234.441406 MB of memory in use. ENERGY: 4895000 3949.1438 20405.7596 14460.9361 251.3633 -203083.5334 2502.7880 0.0000 0.0000 52235.9308 -109277.6118 300.2006 -161513.5426 -108907.9994 299.8214 21.8304 62.5082 761061.2741 7.5828 7.6651 PRESSURE: 4895200 46.7191 -57.9558 -105.727 -57.9563 -185.041 230.349 -105.726 230.348 31.4481 GPRESSURE: 4895200 85.8247 -72.0854 -83.5989 -173.027 -107.83 284.91 8.8657 69.9577 -9.45119 PRESSAVG: 4895200 57.8375 -34.3779 21.3099 -34.3779 -34.4936 7.8795 21.3099 7.87954 12.0629 GPRESSAVG: 4895200 58.3666 -35.1749 22.7042 -32.9033 -32.5103 8.30216 21.7963 6.05304 10.2383 TIMING: 4895200 CPU: 15772.2, 0.00310022/step Wall: 15772.2, 0.00310022/step, 0.0902508 hours remaining, 234.441406 MB of memory in use. ENERGY: 4895200 3900.7094 20505.1833 14534.8935 259.9222 -203545.8383 2824.9320 0.0000 0.0000 52324.9385 -109195.2593 300.7121 -161520.1979 -108828.3448 299.5820 -35.6246 -10.4855 761298.4961 11.8023 12.0316 PRESSURE: 4895400 300.031 70.7639 -113.468 70.7638 21.004 -85.5144 -113.467 -85.5158 145.276 GPRESSURE: 4895400 309.873 -81.8431 -60.9412 202.564 60.0948 -105.231 -192.86 -2.9152 166.939 PRESSAVG: 4895400 32.1969 -59.019 8.44806 -59.0191 -41.3665 -28.1398 8.44807 -28.1398 2.60259 GPRESSAVG: 4895400 31.5819 -57.3184 9.56637 -59.7339 -41.4987 -28.0739 7.75699 -25.4191 3.09613 TIMING: 4895400 CPU: 15772.9, 0.00310476/step Wall: 15772.9, 0.00310476/step, 0.0902106 hours remaining, 234.441406 MB of memory in use. ENERGY: 4895400 4038.5999 20589.6395 14486.9449 278.6579 -203211.7496 2563.2506 0.0000 0.0000 52077.1725 -109177.4843 299.2882 -161254.6568 -108821.8920 300.4079 155.4368 178.9689 760666.0328 -2.1890 -2.2736 PRESSURE: 4895600 -63.6318 -128.822 -25.9965 -128.822 -133.916 -76.3281 -25.997 -76.3278 -489.907 GPRESSURE: 4895600 -1.24368 -128.694 40.8787 -315.267 -104.747 -28.5817 -10.4358 0.631618 -478.603 PRESSAVG: 4895600 85.5423 16.813 -9.30036 16.813 -46.0378 7.42136 -9.30037 7.42131 6.41958 GPRESSAVG: 4895600 86.5368 16.8978 -11.468 16.2631 -46.261 6.45683 -8.74836 6.04398 6.26778 TIMING: 4895600 CPU: 15773.5, 0.00311105/step Wall: 15773.5, 0.00311105/step, 0.0902205 hours remaining, 234.441406 MB of memory in use. ENERGY: 4895600 4040.3734 20544.2037 14468.4542 240.7225 -202909.9324 2279.3188 0.0000 0.0000 52261.9847 -109074.8751 300.3503 -161336.8598 -108708.8874 300.6244 -229.1518 -194.8646 760451.4230 15.3080 15.5145 PRESSURE: 4895800 61.7138 -64.1051 50.0879 -64.105 -174.697 107.832 50.0875 107.831 10.5067 GPRESSURE: 4895800 41.9556 54.0405 66.7138 139.152 -139.853 158.754 27.1413 37.5496 78.1139 PRESSAVG: 4895800 48.7444 -54.8934 -49.4051 -54.8934 -1.03696 -13.4357 -49.4051 -13.4357 -4.25485 GPRESSAVG: 4895800 49.1442 -54.7798 -49.3633 -51.4921 -1.40699 -11.4631 -49.7459 -11.4634 -4.10223 TIMING: 4895800 CPU: 15774.1, 0.00310351/step Wall: 15774.1, 0.00310351/step, 0.0898293 hours remaining, 234.441406 MB of memory in use. ENERGY: 4895800 3923.7687 20563.9884 14579.8005 252.4664 -203118.4757 2499.1725 0.0000 0.0000 52239.1235 -109060.1556 300.2190 -161299.2791 -108699.7099 300.5979 -34.1590 -6.5944 760834.6654 14.4842 14.5450 PRESSURE: 4896000 126.334 57.096 106.371 57.0948 265.856 -221.289 106.37 -221.288 117.023 GPRESSURE: 4896000 218.436 32.2422 49.3744 5.13655 224 -189.762 157.297 -71.4343 165.329 PRESSAVG: 4896000 24.0832 -75.9537 -16.7391 -75.9538 -55.0705 -45.8641 -16.739 -45.864 0.511681 GPRESSAVG: 4896000 23.9738 -77.0075 -15.3454 -76.6171 -53.9762 -47.0349 -16.8068 -48.0932 -0.230797 TIMING: 4896000 CPU: 15774.7, 0.00311604/step Wall: 15774.7, 0.00311604/step, 0.090019 hours remaining, 234.441406 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: 4896000 3962.9674 20501.3180 14477.6585 224.4164 -202781.2545 2478.8281 0.0000 0.0000 52125.4217 -109010.6444 299.5655 -161136.0661 -108653.3915 300.5656 169.7376 202.5884 760277.3831 -10.1585 -10.0777 PRESSURE: 4896200 -43.1449 103.888 248.978 103.887 148.521 -12.7443 248.979 -12.7441 219.57 GPRESSURE: 4896200 -53.349 51.1591 155.032 40.3639 277.631 -11.343 225.506 -85.4804 190.207 PRESSAVG: 4896200 27.742 -27.1785 0.415653 -27.1785 15.3638 7.24672 0.415659 7.24674 31.3376 GPRESSAVG: 4896200 26.9607 -27.4617 -1.54595 -27.919 15.7007 7.22481 1.03916 7.58007 31.2996 TIMING: 4896200 CPU: 15775.4, 0.00311835/step Wall: 15775.4, 0.00311835/step, 0.0899124 hours remaining, 234.441406 MB of memory in use. ENERGY: 4896200 4041.1688 20592.0691 14465.5439 244.1785 -203729.1897 2928.4004 0.0000 0.0000 52453.6341 -109004.1951 301.4518 -161457.8292 -108638.9564 300.4284 108.3152 138.1629 759418.2934 24.8145 24.6537 LDB: ============= START OF LOAD BALANCING ============== 15787.8 LDB: ============== END OF LOAD BALANCING =============== 15787.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15787.8 LDB: ============= START OF LOAD BALANCING ============== 15788.1 LDB: Largest compute 7075 load 0.034319 is 17.5% of average load 0.195635 LDB: Average compute 0.004365 is 2.2% of average load 0.195635 LDB: TIME 15788.1 LOAD: AVG 0.195635 MAX 0.211139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 15788.1 LOAD: AVG 0.195635 MAX 0.211139 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 15788.1 LOAD: AVG 0.195635 MAX 0.211139 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 15788.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15788.1 PRESSURE: 4896400 -197.419 -72.1973 -180.106 -72.1977 101.463 73.3606 -180.106 73.3603 67.8424 GPRESSURE: 4896400 -147.067 -98.0563 -256.196 -131.913 173.499 102.866 -127.568 84.9067 15.6932 PRESSAVG: 4896400 23.5688 -16.606 10.3105 -16.6061 -42.7902 15.5621 10.3105 15.562 -22.308 GPRESSAVG: 4896400 23.1162 -16.6184 11.1884 -17.6198 -42.8778 16.0943 7.92542 15.3039 -21.3324 TIMING: 4896400 CPU: 15776, 0.00316696/step Wall: 15776, 0.00316696/step, 0.0911382 hours remaining, 237.000000 MB of memory in use. ENERGY: 4896400 4042.6244 20453.5331 14450.7433 247.5353 -202927.4537 2409.3252 0.0000 0.0000 52173.5261 -109150.1663 299.8420 -161323.6924 -108784.1572 300.5982 -9.3712 14.0419 761308.9626 -13.8431 -13.6980 PRESSURE: 4896600 -40.3118 -42.4691 36.3255 -42.4688 -684.693 -50.3051 36.325 -50.3057 -1.40038 GPRESSURE: 4896600 25.8725 -199.21 -0.149218 98.5391 -630.981 69.2037 -18.1883 -79.7004 -47.1843 PRESSAVG: 4896600 54.4464 -80.4108 -38.6707 -80.4108 -52.3512 25.2751 -38.6707 25.2752 -0.423303 GPRESSAVG: 4896600 54.6251 -80.5143 -38.1537 -79.3141 -52.6784 25.3597 -36.3291 26.5509 -0.949298 TIMING: 4896600 CPU: 15776.6, 0.00312106/step Wall: 15776.6, 0.00312106/step, 0.0896439 hours remaining, 237.203125 MB of memory in use. ENERGY: 4896600 3972.8293 20453.8311 14510.4026 249.7268 -202946.0628 2224.8101 0.0000 0.0000 52251.0824 -109283.3805 300.2877 -161534.4629 -108912.4368 299.8661 -242.1352 -217.4310 760878.9866 0.5573 0.3325 PRESSURE: 4896800 -97.3349 -156.636 -149.839 -156.636 -112.081 29.4296 -149.84 29.4289 148.081 GPRESSURE: 4896800 -4.62275 -268.995 -82.3601 -212.06 -57.3311 -12.8319 -69.8882 38.431 91.8797 PRESSAVG: 4896800 67.9414 -46.4739 9.42366 -46.4739 -40.7005 6.39158 9.42366 6.39163 14.0671 GPRESSAVG: 4896800 68.166 -46.3416 9.90852 -46.5006 -42.5932 5.63617 9.32666 5.72158 15.6467 TIMING: 4896800 CPU: 15777.2, 0.00311395/step Wall: 15777.2, 0.00311395/step, 0.0892666 hours remaining, 237.203125 MB of memory in use. ENERGY: 4896800 3990.4849 20281.6713 14434.9624 233.1625 -203562.9966 2712.9832 0.0000 0.0000 52163.6573 -109746.0751 299.7853 -161909.7324 -109374.8556 299.0468 -20.4448 9.9753 760301.3947 13.7693 13.7399 PRESSURE: 4897000 300.661 -26.1277 92.4408 -26.1279 -6.50324 -1.89907 92.4397 -1.90112 -47.8129 GPRESSURE: 4897000 316.388 42.9294 21.1641 -47.5838 98.9506 73.6756 186.07 88.0186 -63.1011 PRESSAVG: 4897000 98.8231 -65.1484 -2.021 -65.1484 -49.3452 20.0455 -2.02098 20.0456 -11.9713 GPRESSAVG: 4897000 99.2061 -66.1815 -2.99455 -64.8286 -48.0748 20.2102 -4.80237 21.0004 -13.6867 TIMING: 4897000 CPU: 15777.9, 0.00313636/step Wall: 15777.9, 0.00313636/step, 0.0897348 hours remaining, 237.203125 MB of memory in use. ENERGY: 4897000 3966.6283 20609.2920 14451.5567 258.1874 -203585.1619 2810.7444 0.0000 0.0000 51965.3380 -109523.4150 298.6455 -161488.7531 -109155.3290 298.8201 82.1148 117.4123 760176.1157 12.5022 12.4815 PRESSURE: 4897200 -187.434 -235.912 -30.5984 -235.912 128.932 -190.928 -30.5986 -190.929 -58.34 GPRESSURE: 4897200 -112.383 -324.847 6.79555 -202.964 165.47 -242.482 -59.1712 -147.761 -83.2312 PRESSAVG: 4897200 -21.4246 -20.4848 -19.3096 -20.4848 -8.15679 -30.9518 -19.3095 -30.9518 -7.71823 GPRESSAVG: 4897200 -21.4226 -20.5232 -19.9609 -19.6686 -9.20718 -30.0559 -16.3542 -29.8858 -6.80049 TIMING: 4897200 CPU: 15778.5, 0.00312133/step Wall: 15778.5, 0.00312133/step, 0.0891313 hours remaining, 237.203125 MB of memory in use. ENERGY: 4897200 4017.0090 20395.3093 14420.8104 235.1733 -203302.6497 2458.1319 0.0000 0.0000 51999.7916 -109776.4241 298.8435 -161776.2157 -109417.6657 298.4854 -38.9474 -10.0481 760149.9289 -12.4332 -12.4768 PRESSURE: 4897400 -238.183 67.4026 -28.2653 67.4021 -175.388 -26.9878 -28.2652 -26.9881 -26.3035 GPRESSURE: 4897400 -255.542 16.2723 -147.354 -46.5926 -68.4131 58.3436 -0.16458 -91.0991 -18.8113 PRESSAVG: 4897400 33.3258 -52.7089 8.01896 -52.7089 -9.62249 -25.2254 8.01899 -25.2254 0.95227 GPRESSAVG: 4897400 33.3787 -50.7156 8.92931 -53.3583 -8.76626 -25.2432 6.79076 -26.95 -0.409743 TIMING: 4897400 CPU: 15779.1, 0.00310891/step Wall: 15779.1, 0.00310891/step, 0.0886041 hours remaining, 237.203125 MB of memory in use. ENERGY: 4897400 3897.0902 20437.2763 14441.5457 234.8253 -203183.5688 2324.5255 0.0000 0.0000 52050.4482 -109797.8576 299.1346 -161848.3058 -109438.1756 298.5009 -146.6250 -114.2553 760864.9499 8.2185 8.0676 PRESSURE: 4897600 62.9835 92.0567 153.38 92.0559 -55.0325 -149.114 153.38 -149.115 219 GPRESSURE: 4897600 175.121 71.6599 169.326 148.383 -117.873 -147.547 121.15 -143.635 246.406 PRESSAVG: 4897600 46.7752 -59.9854 -28.0481 -59.9853 -52.019 0.34635 -28.0481 0.346265 4.71517 GPRESSAVG: 4897600 46.6055 -62.9595 -28.3111 -59.4215 -52.6203 0.639964 -27.4576 -0.261523 4.90708 TIMING: 4897600 CPU: 15779.7, 0.00309758/step Wall: 15779.7, 0.00309758/step, 0.088109 hours remaining, 237.203125 MB of memory in use. ENERGY: 4897600 4017.8045 20322.4619 14456.8966 241.2894 -203206.8554 2483.5826 0.0000 0.0000 51870.9247 -109813.8957 298.1029 -161684.8204 -109448.2530 298.3713 75.6504 101.2181 760610.8495 -0.1762 -0.3692 PRESSURE: 4897800 -16.2826 -139.069 240.219 -139.069 290.704 -68.4062 240.22 -68.4059 -50.8902 GPRESSURE: 4897800 103.269 -28.6694 183.617 -92.218 308.626 -30.5723 198.593 58.4273 -99.1638 PRESSAVG: 4897800 0.0140927 -53.5693 42.6578 -53.5693 7.54943 -64.8028 42.6578 -64.8028 -3.61403 GPRESSAVG: 4897800 0.0763358 -50.307 40.8874 -54.5465 6.8397 -64.5003 41.0256 -63.2886 -3.13622 TIMING: 4897800 CPU: 15780.4, 0.00310822/step Wall: 15780.4, 0.00310822/step, 0.088239 hours remaining, 237.203125 MB of memory in use. ENERGY: 4897800 3978.7197 20479.7587 14435.7227 231.2923 -203278.9125 2647.5457 0.0000 0.0000 51864.5110 -109641.3624 298.0661 -161505.8734 -109284.2914 298.2056 74.5103 104.2437 760201.1771 1.3165 1.2599 PRESSURE: 4898000 -226.432 101.528 -51.1122 101.528 -406.638 -18.4749 -51.1126 -18.4755 142.993 GPRESSURE: 4898000 -209.615 14.6978 -132.777 259.913 -331.468 37.5399 -101.617 -138.661 141.959 PRESSAVG: 4898000 3.72594 -8.12021 30.8747 -8.12026 -16.0196 -60.0427 30.8747 -60.0427 15.2682 GPRESSAVG: 4898000 4.23475 -9.37481 32.5641 -6.43166 -15.7862 -60.9564 31.8096 -60.1126 14.5688 TIMING: 4898000 CPU: 15781, 0.00310895/step Wall: 15781, 0.00310895/step, 0.088087 hours remaining, 237.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4898000 3959.4320 20524.7432 14470.8166 228.0156 -202953.2516 2356.9456 0.0000 0.0000 52071.1090 -109342.1896 299.2534 -161413.2986 -108973.3894 299.2303 -163.3589 -133.0414 760354.7602 0.9915 1.0058 PRESSURE: 4898200 341.05 -122.761 40.7092 -122.762 319.503 92.0596 40.7092 92.0607 310.526 GPRESSURE: 4898200 402.582 -3.99283 -40.156 -201.012 330.054 65.1305 81.4593 190.805 328.137 PRESSAVG: 4898200 12.5075 -31.2838 27.7552 -31.2838 -25.7675 74.6095 27.7552 74.6096 27.741 GPRESSAVG: 4898200 11.6168 -32.0367 28.3622 -30.9955 -23.4739 75.9281 28.8582 71.8796 26.4969 TIMING: 4898200 CPU: 15781.6, 0.0031275/step Wall: 15781.6, 0.0031275/step, 0.0884386 hours remaining, 237.203125 MB of memory in use. ENERGY: 4898200 3865.4163 20472.5530 14394.5128 262.2111 -203373.5237 2656.7444 0.0000 0.0000 52296.1586 -109425.9275 300.5467 -161722.0861 -109063.4244 299.3702 323.6930 353.5908 757727.8176 4.8270 4.8799 PRESSURE: 4898400 45.0458 -44.3273 82.6019 -44.327 -108.783 236.903 82.6019 236.903 73.8127 GPRESSURE: 4898400 55.4237 -117.713 47.0216 113.028 -74.9389 277.667 11.6523 172.786 116.747 PRESSAVG: 4898400 67.4692 -38.9843 0.570877 -38.9843 9.28582 29.3501 0.570878 29.35 9.91209 GPRESSAVG: 4898400 69.0062 -38.7556 -0.294681 -39.4531 6.85846 29.41 0.88771 31.403 10.8372 TIMING: 4898400 CPU: 15782.2, 0.00312019/step Wall: 15782.2, 0.00312019/step, 0.0880586 hours remaining, 237.203125 MB of memory in use. ENERGY: 4898400 4029.4411 20398.8006 14436.5424 236.4955 -202954.5343 2464.3727 0.0000 0.0000 51948.9141 -109439.9678 298.5511 -161388.8819 -109084.0833 299.3204 3.3584 32.4105 760993.0871 28.8890 28.9006 PRESSURE: 4898600 -154.479 -114.657 119.2 -114.656 -182.1 169.508 119.2 169.507 -287.98 GPRESSURE: 4898600 -140.28 -13.4473 131.674 -92.7187 -87.7486 173.885 94.363 138.483 -287.579 PRESSAVG: 4898600 28.3534 34.5858 18.6191 34.5858 -50.6595 28.2767 18.6191 28.2768 -12.3082 GPRESSAVG: 4898600 25.5821 35.3341 19.63 32.7901 -48.4887 28.0421 17.4565 25.7984 -11.776 TIMING: 4898600 CPU: 15782.8, 0.00311831/step Wall: 15782.8, 0.00311831/step, 0.0878323 hours remaining, 237.203125 MB of memory in use. ENERGY: 4898600 4023.4603 20477.9047 14438.2579 249.7323 -203028.3110 2471.9917 0.0000 0.0000 52096.9616 -109270.0025 299.4020 -161366.9641 -108906.7000 299.6135 -208.1863 -171.8692 763824.5513 -11.5381 -11.5609 PRESSURE: 4898800 -262.257 125.138 -158.927 125.139 90.0675 17.1366 -158.928 17.1359 274.992 GPRESSURE: 4898800 -193.397 41.1541 -309.572 79.0049 71.4123 -38.648 -145.98 47.0139 314.516 PRESSAVG: 4898800 32.3519 39.7981 32.21 39.7981 -37.3896 14.4427 32.21 14.4427 -9.01778 GPRESSAVG: 4898800 33.627 37.8092 30.6056 40.2007 -37.6658 15.3495 31.3727 16.2385 -10.256 TIMING: 4898800 CPU: 15783.5, 0.00313409/step Wall: 15783.5, 0.00313409/step, 0.0881029 hours remaining, 237.203125 MB of memory in use. ENERGY: 4898800 3962.8652 20331.3145 14508.6403 239.0102 -203090.5290 2745.5844 0.0000 0.0000 52302.6068 -109000.5077 300.5838 -161303.1145 -108637.0479 300.2877 34.2675 64.1772 762583.4961 -4.6852 -4.7649 PRESSURE: 4899000 148.989 -138.586 -22.684 -138.585 17.0374 134.229 -22.6851 134.23 196.907 GPRESSURE: 4899000 217.052 -55.7756 -2.64558 -96.2161 16.4933 158.296 19.7481 3.61968 220.673 PRESSAVG: 4899000 56.2725 -25.9766 23.0069 -25.9766 -26.1682 10.0489 23.0069 10.0488 1.48792 GPRESSAVG: 4899000 56.2458 -24.2923 24.1675 -25.9927 -27.6451 8.57139 24.2752 10.9268 2.70607 TIMING: 4899000 CPU: 15784.1, 0.00311864/step Wall: 15784.1, 0.00311864/step, 0.0874953 hours remaining, 237.203125 MB of memory in use. ENERGY: 4899000 4085.2927 20532.0290 14537.3190 249.7231 -202697.4043 2362.1527 0.0000 0.0000 51902.6860 -109028.2018 298.2854 -160930.8878 -108676.8730 299.9597 120.9777 151.4063 761669.0502 10.5307 10.4356 PRESSURE: 4899200 -349.83 -211.848 244.016 -211.847 -292.862 -100.166 244.017 -100.165 -258.443 GPRESSURE: 4899200 -330.868 -215.426 218 -105.395 -223.068 -66.9855 50.7261 -41.2135 -246.671 PRESSAVG: 4899200 -1.62239 42.5952 -4.01326 42.5952 -33.1248 16.3776 -4.01323 16.3776 -29.918 GPRESSAVG: 4899200 -1.96068 41.8856 -5.1005 43.6795 -32.4871 17.0653 -2.89596 16.5877 -30.1599 TIMING: 4899200 CPU: 15784.7, 0.00311809/step Wall: 15784.7, 0.00311809/step, 0.0873066 hours remaining, 237.203125 MB of memory in use. ENERGY: 4899200 4018.2578 20386.0772 14526.5888 246.5286 -202777.5008 2179.8943 0.0000 0.0000 52111.6733 -109308.4808 299.4865 -161420.1541 -108947.5564 299.7953 -300.3783 -266.8691 760728.5500 -21.5551 -21.5359 PRESSURE: 4899400 26.1598 -117.537 -236.155 -117.537 -11.0983 -386.585 -236.154 -386.586 84.904 GPRESSURE: 4899400 47.2194 -74.0624 -120.875 -181.136 4.26976 -341.37 -213.375 -365.249 154.14 PRESSAVG: 4899400 1.84195 -26.135 -35.3444 -26.135 -21.2313 -22.2189 -35.3444 -22.2188 0.812238 GPRESSAVG: 4899400 1.91128 -24.9404 -34.8215 -26.6095 -21.8221 -22.94 -36.5125 -22.6594 1.2981 TIMING: 4899400 CPU: 15785.3, 0.00311469/step Wall: 15785.3, 0.00311469/step, 0.0870384 hours remaining, 237.203125 MB of memory in use. ENERGY: 4899400 4041.7150 20389.0287 14434.1133 244.2671 -202918.6657 2456.0812 0.0000 0.0000 52106.0611 -109247.3994 299.4542 -161353.4605 -108882.8043 299.5721 33.3218 68.5429 760626.9062 -6.1924 -6.2042 PRESSURE: 4899600 -111.672 -11.4732 -251.205 -11.4723 -124.18 142.463 -251.204 142.464 32.3917 GPRESSURE: 4899600 10.3201 19.5077 -240.973 -75.7535 -96.2626 80.9394 -283.522 47.2809 -38.2271 PRESSAVG: 4899600 -31.202 -23.4319 -31.5273 -23.4319 15.6607 -37.8702 -31.5273 -37.8702 -4.31298 GPRESSAVG: 4899600 -31.3516 -25.2802 -30.3065 -23.1686 16.8076 -37.6312 -32.9168 -37.4538 -5.19223 TIMING: 4899600 CPU: 15786, 0.00310356/step Wall: 15786, 0.00310356/step, 0.086555 hours remaining, 237.203125 MB of memory in use. ENERGY: 4899600 3967.5188 20570.5713 14382.6471 238.7194 -203647.0005 2786.5508 0.0000 0.0000 52242.7354 -109458.2578 300.2397 -161700.9932 -109091.1085 299.5255 -67.8201 -41.3899 760492.7693 -6.6181 -6.5787 PRESSURE: 4899800 -209.183 121.731 -174.627 121.73 -288.012 173.771 -174.627 173.771 -260.588 GPRESSURE: 4899800 -158.791 184.293 -126.844 66.2562 -255.432 193.451 -112.859 212.281 -257.934 PRESSAVG: 4899800 32.7463 -3.16835 -41.1975 -3.16831 -4.52156 -1.56391 -41.1975 -1.56398 -19.7631 GPRESSAVG: 4899800 33.6632 -2.29216 -39.5251 -4.69221 -5.73695 0.240717 -37.7371 -4.66302 -19.694 TIMING: 4899800 CPU: 15786.6, 0.00311191/step Wall: 15786.6, 0.00311191/step, 0.0866148 hours remaining, 237.203125 MB of memory in use. ENERGY: 4899800 4014.6850 20519.2623 14386.1021 239.8892 -203150.7513 2272.5596 0.0000 0.0000 52196.9787 -109521.2744 299.9768 -161718.2530 -109151.6585 299.5604 -252.5943 -224.0524 759196.0796 2.8206 2.7441 WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4900000 -100.566 105.549 108.235 105.549 89.7192 -23.6496 108.234 -23.6502 -101.109 GPRESSURE: 4900000 -96.6458 97.584 115.86 49.4661 90.7835 38.2874 183.863 -49.096 -37.62 PRESSAVG: 4900000 42.9865 -5.96825 -46.0126 -5.96821 -1.45175 1.55333 -46.0127 1.55334 -0.374248 GPRESSAVG: 4900000 42.232 -6.37079 -49.1764 -5.177 -0.782072 0.00251322 -46.6629 2.37674 -0.298133 TIMING: 4900000 CPU: 15787.2, 0.00325169/step Wall: 15787.2, 0.00325169/step, 0.0903247 hours remaining, 237.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4900000 3983.6020 20576.2431 14414.3299 256.8728 -203344.5473 2717.7049 0.0000 0.0000 51955.8285 -109439.9661 298.5909 -161395.7946 -109065.4191 299.4618 -37.3186 -14.4941 760647.1119 13.7202 13.7173 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 PRESSURE: 4900200 -56.7929 -32.9994 160.847 -32.9996 -95.9407 13.6464 160.847 13.6466 103.361 GPRESSURE: 4900200 27.6233 -83.7437 132.447 -143.062 -76.6665 -6.59418 108.09 125.794 69.3343 PRESSAVG: 4900200 -61.719 -2.65918 -45.0064 -2.65919 35.8102 26.5993 -45.0064 26.5993 -7.39117 GPRESSAVG: 4900200 -61.6413 -2.60605 -44.9488 -3.71277 35.1782 27.294 -45.0251 26.0789 -7.39007 TIMING: 4900200 CPU: 15787.9, 0.00312879/step Wall: 15787.9, 0.00312879/step, 0.086737 hours remaining, 237.328125 MB of memory in use. ENERGY: 4900200 3962.4607 20590.6982 14370.7787 246.3837 -203454.0264 2550.3674 0.0000 0.0000 52362.9940 -109370.3438 300.9308 -161733.3378 -109004.8739 299.4219 -16.4575 6.7637 761153.1121 -11.1000 -11.2844 LDB: ============= START OF LOAD BALANCING ============== 15800.3 LDB: ============== END OF LOAD BALANCING =============== 15800.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15800.3 LDB: ============= START OF LOAD BALANCING ============== 15800.6 LDB: Largest compute 7075 load 0.032516 is 16.6% of average load 0.195608 LDB: Average compute 0.004386 is 2.2% of average load 0.195608 LDB: TIME 15800.6 LOAD: AVG 0.195608 MAX 0.212745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 15800.6 LOAD: AVG 0.195608 MAX 0.212745 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 15800.6 LOAD: AVG 0.195608 MAX 0.212745 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 15800.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15800.6 PRESSURE: 4900400 -123.794 46.9393 -223.297 46.9396 230.513 149.98 -223.297 149.98 164.935 GPRESSURE: 4900400 -64.0067 17.316 -241.731 76.1121 241.067 119.74 -166.656 213.265 190.535 PRESSAVG: 4900400 -32.7822 -17.6483 9.66598 -17.6483 18.6087 23.2233 9.66593 23.2233 -18.7825 GPRESSAVG: 4900400 -32.759 -17.4327 11.007 -16.0063 18.1491 23.7197 9.81051 25.4241 -18.3828 TIMING: 4900400 CPU: 15788.5, 0.00316827/step Wall: 15788.5, 0.00316827/step, 0.0876555 hours remaining, 236.859375 MB of memory in use. ENERGY: 4900400 4044.1765 20527.1152 14524.7671 233.7899 -203461.7188 2419.4459 0.0000 0.0000 52020.1203 -109692.3038 298.9603 -161712.4241 -109339.9602 299.0074 90.5514 122.5318 760216.9182 -10.9854 -10.9976 PRESSURE: 4900600 229.221 44.3387 -26.8677 44.3385 227.047 -22.4162 -26.8674 -22.4175 -222.373 GPRESSURE: 4900600 202.095 -39.7026 -36.8752 15.5977 240.957 -8.78053 -54.6554 37.96 -125.984 PRESSAVG: 4900600 -15.5356 25.3386 13.7127 25.3387 38.2047 -5.74851 13.7127 -5.74851 -12.5987 GPRESSAVG: 4900600 -16.0152 26.2895 13.773 23.0589 39.4893 -5.9696 11.8973 -6.24577 -13.374 TIMING: 4900600 CPU: 15789.1, 0.00312021/step Wall: 15789.1, 0.00312021/step, 0.0861523 hours remaining, 237.261719 MB of memory in use. ENERGY: 4900600 3843.1841 20506.5755 14389.2899 243.9221 -203299.5090 2395.4221 0.0000 0.0000 52011.0988 -109910.0164 298.9085 -161921.1152 -109548.9673 298.4378 77.9650 105.6893 760318.3723 3.3568 3.3667 PRESSURE: 4900800 -9.34393 29.4642 21.3927 29.4645 289.277 -84.6442 21.3931 -84.6435 287.654 GPRESSURE: 4900800 26.0239 91.7861 1.22129 97.1027 399.736 -111.712 35.0868 -8.54299 225.48 PRESSAVG: 4900800 -18.09 -12.2564 -18.4874 -12.2564 2.71118 -8.58727 -18.4875 -8.58725 9.78974 GPRESSAVG: 4900800 -17.4379 -12.0586 -17.8962 -11.3099 2.72415 -8.98247 -16.9992 -9.64479 8.67702 TIMING: 4900800 CPU: 15789.7, 0.0031132/step Wall: 15789.7, 0.0031132/step, 0.085786 hours remaining, 237.261719 MB of memory in use. ENERGY: 4900800 3968.0521 20380.5521 14450.1532 244.1863 -203056.5639 2442.6096 0.0000 0.0000 51673.1766 -109897.8339 296.9665 -161571.0105 -109541.5528 298.2206 189.1958 217.0802 759070.4544 -1.8630 -2.0122 PRESSURE: 4901000 -57.3021 8.62676 -353.62 8.62619 -326.484 87.0926 -353.621 87.0927 -19.8957 GPRESSURE: 4901000 -67.6925 -53.4322 -308.922 24.0868 -241.123 74.5459 -222.881 111.721 6.57646 PRESSAVG: 4901000 -0.280346 31.3709 -43.7221 31.3709 8.84699 -13.7535 -43.722 -13.7536 2.74544 GPRESSAVG: 4901000 -2.17169 30.8816 -44.3166 31.4926 9.40593 -13.3934 -45.2944 -13.2597 3.45566 TIMING: 4901000 CPU: 15790.4, 0.00312382/step Wall: 15790.4, 0.00312382/step, 0.085905 hours remaining, 237.261719 MB of memory in use. ENERGY: 4901000 3954.8429 20347.7877 14441.9374 251.1932 -203256.4020 2224.0828 0.0000 0.0000 52311.2269 -109725.3311 300.6333 -162036.5580 -109356.5816 298.5659 -134.5607 -100.7464 759177.8060 3.7707 3.5633 PRESSURE: 4901200 248.289 83.5152 -18.0561 83.5138 63.9324 -59.7818 -18.0566 -59.7824 661.139 GPRESSURE: 4901200 316.042 138.468 19.1529 101.082 83.4295 -23.1109 -4.1616 -121.225 663.972 PRESSAVG: 4901200 -18.9447 -9.9925 -20.7409 -9.99253 -2.81249 40.0082 -20.7409 40.0081 -4.15289 GPRESSAVG: 4901200 -18.3138 -8.54948 -21.924 -11.1778 -2.51758 41.2392 -18.7251 39.3782 -4.35977 TIMING: 4901200 CPU: 15791, 0.00309936/step Wall: 15791, 0.00309936/step, 0.0850602 hours remaining, 237.261719 MB of memory in use. ENERGY: 4901200 3937.8253 20431.0926 14392.4147 244.5822 -203598.7725 2810.5261 0.0000 0.0000 52098.8636 -109683.4679 299.4129 -161782.3315 -109326.9599 298.7110 324.4535 354.4811 761644.6253 -8.6367 -8.3970 PRESSURE: 4901400 283.883 118.774 -189.03 118.775 -257.46 109.56 -189.03 109.561 -461.713 GPRESSURE: 4901400 243.649 80.7411 -73.1073 65.2186 -216.015 121.605 -167.054 108.975 -387.955 PRESSAVG: 4901400 -37.3538 -8.01169 18.5776 -8.0117 41.1376 4.79105 18.5776 4.79109 26.2904 GPRESSAVG: 4901400 -36.6196 -10.2421 19.4409 -4.37192 39.8916 2.50574 18.2917 5.3843 27.0343 TIMING: 4901400 CPU: 15791.6, 0.0031258/step Wall: 15791.6, 0.0031258/step, 0.0856122 hours remaining, 237.332031 MB of memory in use. ENERGY: 4901400 4020.7030 20547.2754 14486.2035 242.3135 -203728.8088 2576.0523 0.0000 0.0000 52230.7719 -109625.4893 300.1710 -161856.2612 -109260.6063 299.2382 -145.0966 -120.1071 760190.9183 10.0247 10.1021 PRESSURE: 4901600 -89.8971 -152.522 -29.5795 -152.521 102.83 -56.8145 -29.5795 -56.8151 278.417 GPRESSURE: 4901600 -6.29934 -91.4524 -68.4742 -103.663 108.073 -54.3895 15.5904 -31.778 255.878 PRESSAVG: 4901600 22.102 5.01375 -36.4725 5.01381 -4.36159 18.8953 -36.4725 18.8953 33.874 GPRESSAVG: 4901600 21.3269 4.7959 -37.2385 4.42203 -4.03997 19.6855 -36.8812 18.6259 33.8365 TIMING: 4901600 CPU: 15792.2, 0.00312905/step Wall: 15792.2, 0.00312905/step, 0.0855274 hours remaining, 237.332031 MB of memory in use. ENERGY: 4901600 4017.3726 20727.5766 14493.8075 264.7634 -203542.3508 2643.0258 0.0000 0.0000 51710.4697 -109685.3352 297.1808 -161395.8049 -109336.6426 299.2410 97.1166 119.2174 759923.7461 17.2048 17.0412 PRESSURE: 4901800 -147.078 117.457 100.659 117.458 -12.4501 -21.975 100.659 -21.975 -15.2568 GPRESSURE: 4901800 -70.5941 47.3071 50.0822 73.4799 -54.0143 4.6475 -38.3649 64.7275 42.982 PRESSAVG: 4901800 0.367004 -62.0092 -6.83153 -62.0092 24.5825 4.65663 -6.83158 4.65662 17.0943 GPRESSAVG: 4901800 0.735904 -60.543 -5.6726 -64.8923 24.4049 4.60051 -7.6497 6.96041 16.8312 TIMING: 4901800 CPU: 15792.9, 0.00314456/step Wall: 15792.9, 0.00314457/step, 0.0857767 hours remaining, 237.332031 MB of memory in use. ENERGY: 4901800 3895.9645 20407.6270 14481.5699 251.2473 -203609.8986 2819.0555 0.0000 0.0000 52110.6527 -109643.7816 299.4806 -161754.4344 -109283.4685 299.0056 -58.2616 -27.2088 760904.6942 14.0146 13.9907 PRESSURE: 4902000 92.2606 -88.4361 -158.577 -88.4354 23.0957 208.33 -158.576 208.331 -46.776 GPRESSURE: 4902000 80.6202 7.13659 -111.417 -24.8489 108.687 162.359 -171.689 85.0275 -41.1289 PRESSAVG: 4902000 41.2077 -26.7469 -51.2332 -26.7469 -47.8155 46.3137 -51.2333 46.3136 -12.3245 GPRESSAVG: 4902000 41.0277 -24.2911 -52.8804 -27.3848 -47.942 47.5172 -51.1737 42.9089 -12.4715 TIMING: 4902000 CPU: 15793.5, 0.0031203/step Wall: 15793.5, 0.0031203/step, 0.0849416 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4902000 3975.6119 20503.0355 14503.1627 247.0453 -203178.9231 2374.0271 0.0000 0.0000 51904.8496 -109671.1909 298.2979 -161576.0405 -109315.7112 298.9955 22.8601 49.3928 758767.6484 -6.3108 -6.4619 PRESSURE: 4902200 -607.408 90.2529 51.5906 90.2532 -32.9254 -167.085 51.5906 -167.085 -465.069 GPRESSURE: 4902200 -570.337 82.4873 16.5142 -14.8171 -3.23241 -122.633 63.2328 -236.839 -436.959 PRESSAVG: 4902200 -31.6988 -21.5133 30.426 -21.5132 47.6637 21.5711 30.426 21.571 -6.29245 GPRESSAVG: 4902200 -30.6584 -25.9036 31.6239 -21.1848 47.3912 19.3228 29.5179 23.2648 -6.747 TIMING: 4902200 CPU: 15794.1, 0.00312036/step Wall: 15794.1, 0.00312036/step, 0.0847696 hours remaining, 237.332031 MB of memory in use. ENERGY: 4902200 3943.1802 20500.4206 14599.5604 259.8727 -202865.9032 2271.8999 0.0000 0.0000 52133.3660 -109157.6033 299.6112 -161290.9694 -108799.2584 299.5462 -368.4675 -336.8427 760427.5692 3.2241 3.3286 PRESSURE: 4902400 -536.178 -87.2162 -60.8664 -87.2162 -130.182 -17.8712 -60.8663 -17.8705 -162.532 GPRESSURE: 4902400 -464.344 -105.344 -5.76102 -32.4741 -154.468 -47.0336 -26.5542 -144.34 -131.628 PRESSAVG: 4902400 53.2576 -43.7856 19.87 -43.7856 -26.4444 -12.6663 19.8699 -12.6663 22.0863 GPRESSAVG: 4902400 51.7813 -43.176 19.224 -41.6253 -25.6122 -12.0022 21.8378 -11.2426 22.5481 TIMING: 4902400 CPU: 15794.7, 0.00313328/step Wall: 15794.7, 0.00313328/step, 0.0849467 hours remaining, 237.332031 MB of memory in use. ENERGY: 4902400 4017.7282 20539.8740 14479.2610 243.8167 -202659.3356 2058.3579 0.0000 0.0000 52143.9025 -109176.3954 299.6717 -161320.2979 -108817.6085 300.1378 -276.2971 -250.1467 760206.0838 16.2998 16.2391 PRESSURE: 4902600 -158.588 -211.684 356.29 -211.683 -242.931 -169.704 356.29 -169.705 -310.036 GPRESSURE: 4902600 -151.544 -80.9194 352.834 -126.788 -156.571 -306.964 283.938 -13.7097 -322.543 PRESSAVG: 4902600 -54.8787 -3.51457 40.3437 -3.51458 22.494 -1.78098 40.3438 -1.78103 -21.8239 GPRESSAVG: 4902600 -54.3825 -2.40146 40.3591 -4.02671 22.9382 -2.10516 38.7195 -3.06111 -22.5465 TIMING: 4902600 CPU: 15795.4, 0.00313036/step Wall: 15795.4, 0.00313036/step, 0.0846936 hours remaining, 237.332031 MB of memory in use. ENERGY: 4902600 4021.5658 20435.7584 14526.3360 261.0589 -202890.1132 2226.1387 0.0000 0.0000 52181.6771 -109237.5783 299.8888 -161419.2554 -108875.2694 300.0976 -237.1852 -210.2193 760471.7737 -18.0696 -17.9969 PRESSURE: 4902800 -46.0415 34.4255 167.485 34.4255 -268.796 -150.843 167.485 -150.843 -167.384 GPRESSURE: 4902800 8.45922 152.988 187.444 17.7835 -251.519 -6.06382 65.1114 -67.4569 -157.176 PRESSAVG: 4902800 27.8217 -21.0684 38.7607 -21.0684 -10.688 2.98853 38.7607 2.98855 -14.7753 GPRESSAVG: 4902800 28.7436 -22.0066 39.0122 -22.7939 -12.3739 3.86275 38.5592 3.45902 -14.5171 TIMING: 4902800 CPU: 15796, 0.00313804/step Wall: 15796, 0.00313804/step, 0.0847271 hours remaining, 237.332031 MB of memory in use. ENERGY: 4902800 4048.5231 20568.2126 14522.7798 247.1906 -203188.6170 2468.9283 0.0000 0.0000 51981.4135 -109351.5691 298.7379 -161332.9826 -108986.5473 300.0729 -160.7404 -133.4117 760052.3342 0.7861 0.6175 PRESSURE: 4903000 132.635 67.021 -47.7518 67.0205 7.40631 -119.507 -47.752 -119.508 452.109 GPRESSURE: 4903000 161.902 -67.9266 -16.9291 72.155 81.6987 -199.228 54.4014 -97.8763 424.028 PRESSAVG: 4903000 17.3074 24.1921 41.7673 24.192 -57.0599 -17.7276 41.7673 -17.7275 -11.6574 GPRESSAVG: 4903000 17.0892 26.0559 39.3294 24.5354 -56.1392 -19.8668 44.274 -20.1416 -11.9018 TIMING: 4903000 CPU: 15796.6, 0.00310979/step Wall: 15796.6, 0.00310979/step, 0.0837916 hours remaining, 237.332031 MB of memory in use. ENERGY: 4903000 3972.4866 20514.8389 14507.4263 249.4265 -203625.0505 2813.9057 0.0000 0.0000 52074.8608 -109492.1058 299.2749 -161566.9666 -109124.7083 298.8540 197.3837 222.5427 759732.2267 -17.1366 -16.9839 PRESSURE: 4903200 -43.2989 -203.111 -30.0972 -203.11 130.136 56.5609 -30.0967 56.5598 236.134 GPRESSURE: 4903200 58.114 -234.981 -8.61894 -85.2903 64.72 -2.69682 11.2328 55.4992 284.196 PRESSAVG: 4903200 -29.8149 -15.2587 -9.00259 -15.2587 -0.862893 5.21289 -9.00262 5.21296 8.6685 GPRESSAVG: 4903200 -30.2557 -16.3534 -7.57773 -14.1173 -1.56896 6.78251 -9.60857 6.93632 9.78638 TIMING: 4903200 CPU: 15797.2, 0.00312067/step Wall: 15797.2, 0.00312067/step, 0.0839112 hours remaining, 237.332031 MB of memory in use. ENERGY: 4903200 3974.2785 20514.6923 14565.0841 248.3788 -203658.3928 2913.2094 0.0000 0.0000 51900.2477 -109542.5021 298.2714 -161442.7498 -109171.9497 299.1599 107.6571 135.6766 761080.3570 -7.3364 -7.3461 PRESSURE: 4903400 -77.5705 43.5122 311.015 43.5124 -448.031 5.63788 311.016 5.63838 -303.211 GPRESSURE: 4903400 -35.7672 53.7219 311.066 57.2074 -431.767 -5.47054 293.262 48.9097 -276.048 PRESSAVG: 4903400 54.458 8.84673 34.3471 8.8467 -28.6569 -34.6242 34.3471 -34.6243 -5.74263 GPRESSAVG: 4903400 54.6407 8.85789 36.4798 9.00228 -28.0234 -35.1891 31.9057 -33.3015 -7.12333 TIMING: 4903400 CPU: 15797.9, 0.00312661/step Wall: 15797.9, 0.00312661/step, 0.0838973 hours remaining, 237.332031 MB of memory in use. ENERGY: 4903400 4018.9680 20439.4883 14485.1794 261.7085 -203343.3630 2494.0048 0.0000 0.0000 52064.9385 -109579.0756 299.2179 -161644.0140 -109223.6464 299.3403 -276.2707 -247.8610 762084.6788 6.6861 6.4980 PRESSURE: 4903600 -127.702 -135.682 52.8831 -135.681 269.168 -140.032 52.8825 -140.032 11.513 GPRESSURE: 4903600 -37.3662 -41.0875 99.1776 -190.08 328.847 -134.397 11.322 -199.684 -40.343 PRESSAVG: 4903600 11.5522 -38.0441 10.7911 -38.0442 7.31749 -25.176 10.7911 -25.176 -22.0809 GPRESSAVG: 4903600 12.134 -39.3257 8.43749 -39.4126 7.10958 -25.3686 13.0954 -25.6796 -22.3213 TIMING: 4903600 CPU: 15798.5, 0.00312336/step Wall: 15798.5, 0.00312336/step, 0.0836366 hours remaining, 237.332031 MB of memory in use. ENERGY: 4903600 3985.0647 20512.4978 14497.4819 234.0731 -203584.9180 2755.4593 0.0000 0.0000 52023.7851 -109576.5561 298.9814 -161600.3412 -109203.3157 298.7577 50.9930 83.7126 762259.7336 -1.0704 -1.0259 PRESSURE: 4903800 -210.371 -76.0724 -31.2541 -76.0734 -66.9231 218.256 -31.2543 218.257 194.982 GPRESSURE: 4903800 -140.163 -150.703 -114.114 -0.278353 -94.6253 265.908 3.17726 195.612 224.495 PRESSAVG: 4903800 7.37433 -54.7946 -8.84179 -54.7946 -3.69912 0.295283 -8.84182 0.295338 -0.366237 GPRESSAVG: 4903800 7.05759 -53.5755 -9.6359 -53.1886 -4.87988 3.0011 -9.06566 -1.14716 1.12153 TIMING: 4903800 CPU: 15799.1, 0.00310744/step Wall: 15799.1, 0.00310744/step, 0.0830378 hours remaining, 237.332031 MB of memory in use. ENERGY: 4903800 3967.6898 20629.5476 14487.3949 242.0768 -203346.5150 2567.0750 0.0000 0.0000 51883.5700 -109569.1608 298.1756 -161452.7308 -109207.7032 299.0912 -27.4374 -3.4309 760986.4759 1.1030 1.0997 PRESSURE: 4904000 148.672 224.827 79.2598 224.827 -65.408 31.3827 79.26 31.3838 498.3 GPRESSURE: 4904000 168.223 200.584 80.7495 123.133 -0.420258 -68.9252 47.5871 30.3492 496.506 PRESSAVG: 4904000 -7.42376 -0.676777 -15.4866 -0.676864 -3.70555 -27.9271 -15.4866 -27.9271 -24.5192 GPRESSAVG: 4904000 -8.52708 -0.468219 -13.311 -1.14563 -1.25165 -29.863 -17.1953 -27.9901 -25.5485 TIMING: 4904000 CPU: 15799.7, 0.00311294/step Wall: 15799.7, 0.00311294/step, 0.0830116 hours remaining, 237.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4904000 3931.5628 20501.5905 14515.4996 239.0937 -203647.4692 2681.8234 0.0000 0.0000 52243.9879 -109533.9113 300.2469 -161777.8992 -109162.9620 299.0936 193.8548 221.4359 759207.9528 -11.8828 -11.7758 PRESSURE: 4904200 -205.886 95.3518 -195.694 95.352 100.901 -23.9062 -195.694 -23.9063 -195.856 GPRESSURE: 4904200 -147.806 60.5135 -217.394 129.5 90.4841 -12.3816 -81.2092 -37.8101 -186.795 PRESSAVG: 4904200 6.67586 -36.8568 -69.5565 -36.8567 1.92235 27.4257 -69.5565 27.4257 11.0584 GPRESSAVG: 4904200 8.01841 -37.0462 -71.5157 -36.4489 0.136931 27.703 -66.3541 25.1839 11.5766 TIMING: 4904200 CPU: 15800.4, 0.00312919/step Wall: 15800.4, 0.00312919/step, 0.0832713 hours remaining, 237.332031 MB of memory in use. ENERGY: 4904200 3923.4590 20595.1404 14566.5973 235.5172 -203735.6187 2655.3528 0.0000 0.0000 52297.1099 -109462.4420 300.5522 -161759.5518 -109105.1266 299.5641 -100.2803 -81.3725 762011.9045 6.5522 6.5773 LDB: ============= START OF LOAD BALANCING ============== 15812.8 LDB: ============== END OF LOAD BALANCING =============== 15812.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15812.8 LDB: ============= START OF LOAD BALANCING ============== 15813.1 LDB: Largest compute 7075 load 0.033548 is 17.1% of average load 0.195618 LDB: Average compute 0.004380 is 2.2% of average load 0.195618 LDB: TIME 15813.1 LOAD: AVG 0.195618 MAX 0.217039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.457 MB LDB: TIME 15813.1 LOAD: AVG 0.195618 MAX 0.217039 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.535 MB LDB: TIME 15813.1 LOAD: AVG 0.195618 MAX 0.217039 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.535 MB LDB: ============== END OF LOAD BALANCING =============== 15813.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15813.1 PRESSURE: 4904400 -371.837 -34.7021 150.387 -34.7029 68.453 26.7555 150.388 26.756 -336.74 GPRESSURE: 4904400 -322.872 15.2978 102.423 12.4981 41.5486 40.8574 149.76 -37.0862 -280.722 PRESSAVG: 4904400 35.8532 15.7414 52.0513 15.7414 3.86288 -3.46298 52.0513 -3.46293 -19.2228 GPRESSAVG: 4904400 34.5428 13.0285 51.9721 15.8762 4.95373 -3.2304 50.174 -2.52267 -19.1051 TIMING: 4904400 CPU: 15801, 0.00319211/step Wall: 15801, 0.00319211/step, 0.0847683 hours remaining, 234.882812 MB of memory in use. ENERGY: 4904400 4010.1298 20601.4158 14504.2338 239.1616 -203359.9834 2291.0587 0.0000 0.0000 52141.9169 -109572.0668 299.6603 -161713.9837 -109203.6801 299.2570 -213.3748 -187.3486 761350.3894 6.8311 6.7972 PRESSURE: 4904600 121.416 -25.3152 180.136 -25.3147 39.3145 14.1607 180.136 14.1611 62.808 GPRESSURE: 4904600 168.397 -25.7925 258.717 -20.2566 90.8842 -6.53028 94.8679 62.1197 62.4357 PRESSAVG: 4904600 2.89744 -15.7368 44.4328 -15.7368 -12.4116 23.9292 44.4328 23.9292 -17.1856 GPRESSAVG: 4904600 4.45938 -14.8865 47.0644 -16.0467 -13.3476 23.9094 44.32 23.948 -18.5 TIMING: 4904600 CPU: 15801.6, 0.00312419/step Wall: 15801.6, 0.00312419/step, 0.082791 hours remaining, 234.882812 MB of memory in use. ENERGY: 4904600 4006.1124 20425.8810 14549.7874 236.7926 -203628.5428 2678.4469 0.0000 0.0000 51987.2377 -109744.2848 298.7714 -161731.5225 -109378.8949 299.1884 74.5128 107.2390 759755.5260 -8.8999 -9.1294 PRESSURE: 4904800 -134.611 116.468 210.511 116.468 -70.4309 109.425 210.511 109.426 -31.9135 GPRESSURE: 4904800 -67.9096 2.03036 200.422 -20.959 -42.6012 183.806 188.107 -40.0593 -13.5742 PRESSAVG: 4904800 -22.3075 -24.142 8.26401 -24.142 -4.37114 25.9177 8.26401 25.9177 11.7793 GPRESSAVG: 4904800 -23.4955 -24.2021 5.40029 -23.6905 -3.56614 25.473 9.01086 27.5405 12.9399 TIMING: 4904800 CPU: 15802.3, 0.00311437/step Wall: 15802.3, 0.00311437/step, 0.0823578 hours remaining, 234.882812 MB of memory in use. ENERGY: 4904800 4031.8095 20480.5569 14509.6680 241.8462 -203820.7673 2876.9769 0.0000 0.0000 51820.6087 -109859.3010 297.8138 -161679.9097 -109499.9487 298.2687 -78.9852 -41.3617 760617.9747 -4.9665 -4.7072 PRESSURE: 4905000 53.2982 -191.058 148.022 -191.058 154.786 98.4727 148.021 98.4734 110.038 GPRESSURE: 4905000 13.2604 -31.898 116.558 -128.35 281.667 -5.43666 172.903 20.5034 92.8426 PRESSAVG: 4905000 40.767 -6.8173 42.6024 -6.81725 -26.2371 1.59572 42.6024 1.59559 11.4368 GPRESSAVG: 4905000 40.225 -5.34637 44.7215 -8.55427 -25.9287 3.2609 44.2446 1.68913 11.333 TIMING: 4905000 CPU: 15802.9, 0.00311292/step Wall: 15802.9, 0.00311293/step, 0.0821466 hours remaining, 234.882812 MB of memory in use. ENERGY: 4905000 4001.0598 20499.5514 14552.7532 261.1568 -203465.9627 2377.3404 0.0000 0.0000 51739.2336 -110034.8675 297.3461 -161774.1011 -109673.6196 298.6234 106.0405 129.2566 759138.7618 8.6556 8.5431 PRESSURE: 4905200 -549.189 -56.846 -61.2838 -56.8466 -269.778 -118.559 -61.2837 -118.559 -529.452 GPRESSURE: 4905200 -418.761 -36.1806 -85.1221 -2.57855 -318.006 -222.47 -29.1969 -135.822 -495.883 PRESSAVG: 4905200 17.4414 -24.3246 -0.909904 -24.3245 -49.0144 5.27894 -0.909853 5.27897 1.57662 GPRESSAVG: 4905200 18.8429 -24.6976 -2.2591 -23.8052 -49.9881 3.35085 -2.51646 6.44132 1.02367 TIMING: 4905200 CPU: 15803.5, 0.00311921/step Wall: 15803.5, 0.00311921/step, 0.0821393 hours remaining, 234.882812 MB of memory in use. ENERGY: 4905200 4104.1869 20507.4372 14522.5605 242.9220 -203532.5056 2369.8919 0.0000 0.0000 51764.6192 -110020.8880 297.4920 -161785.5072 -109661.8432 298.2331 -449.4729 -410.8833 760492.0654 -9.9988 -10.0405 PRESSURE: 4905400 140.595 112.888 226.77 112.888 -339.278 -186.731 226.769 -186.731 -176.121 GPRESSURE: 4905400 134.293 98.8955 324.764 97.1629 -325.347 -279.069 99.8611 -68.6477 -96.227 PRESSAVG: 4905400 1.31315 -40.0095 20.7058 -40.0095 -10.3238 18.0885 20.7057 18.0885 -4.57219 GPRESSAVG: 4905400 -0.343717 -41.6408 20.6535 -40.171 -10.0694 18.3536 20.3082 15.7911 -3.35607 TIMING: 4905400 CPU: 15804.1, 0.00312439/step Wall: 15804.1, 0.00312439/step, 0.082102 hours remaining, 234.882812 MB of memory in use. ENERGY: 4905400 3945.2258 20311.3221 14474.2024 254.7218 -203749.1619 2445.0613 0.0000 0.0000 52036.2914 -110282.3373 299.0533 -162318.6286 -109916.5021 297.6330 -124.9347 -95.7603 759661.2383 -4.5276 -4.5897 PRESSURE: 4905600 -70.5694 -111.03 -9.73589 -111.03 -13.0693 194.794 -9.73523 194.794 473.064 GPRESSURE: 4905600 35.5257 -87.3913 -93.6432 -93.9628 -39.3414 216.686 -65.1812 152.994 482.716 PRESSAVG: 4905600 24.3271 -19.0073 39.7015 -19.0073 -56.1679 13.9275 39.7015 13.9274 1.46883 GPRESSAVG: 4905600 25.4299 -18.1052 39.7717 -19.6607 -56.9593 14.5326 38.5254 13.4587 1.20023 TIMING: 4905600 CPU: 15804.7, 0.00311944/step Wall: 15804.7, 0.00311944/step, 0.0817986 hours remaining, 234.882812 MB of memory in use. ENERGY: 4905600 3972.3780 20409.1810 14468.9284 219.7824 -203672.6787 2606.1710 0.0000 0.0000 51861.7654 -110134.4726 298.0503 -161996.2380 -109770.8852 297.6308 129.8084 159.6333 761136.9166 -10.1240 -10.1097 PRESSURE: 4905800 -10.4132 -83.9709 91.4237 -83.9714 -199.052 67.655 91.4229 67.6555 -166.824 GPRESSURE: 4905800 74.2114 -5.08942 100.239 -83.9122 -157.524 139.761 202.336 132.794 -209.204 PRESSAVG: 4905800 -28.3958 -18.5922 -58.8369 -18.592 12.7595 38.7736 -58.8369 38.7736 12.5969 GPRESSAVG: 4905800 -27.2773 -17.5764 -57.5351 -17.4309 13.3427 39.4037 -57.5457 41.0733 11.4124 TIMING: 4905800 CPU: 15805.4, 0.00310349/step Wall: 15805.4, 0.00310349/step, 0.081208 hours remaining, 234.882812 MB of memory in use. ENERGY: 4905800 3992.1513 20459.1514 14542.2567 232.9221 -203502.3481 2295.9656 0.0000 0.0000 51742.2688 -110237.6322 297.3635 -161979.9010 -109874.9300 297.3141 -125.4295 -97.5057 760370.7002 -1.0131 -0.8407 PRESSURE: 4906000 -101.196 -76.5955 93.8721 -76.5952 -211.455 82.4918 93.8722 82.4922 -555.332 GPRESSURE: 4906000 -126.688 -1.64013 47.8608 -165.262 -174.98 18.1814 80.1281 -83.5833 -486.517 PRESSAVG: 4906000 34.4525 -29.006 -4.95218 -29.006 -62.5198 22.3263 -4.9522 22.3264 -19.9258 GPRESSAVG: 4906000 33.2141 -29.9676 -6.94352 -30.0153 -62.851 21.0152 -4.16372 21.9263 -18.3349 TIMING: 4906000 CPU: 15806, 0.00311674/step Wall: 15806, 0.00311674/step, 0.0813816 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4906000 3925.8872 20469.9882 14403.7571 254.5464 -203319.8836 2355.1447 0.0000 0.0000 51798.5236 -110112.0364 297.6868 -161910.5600 -109742.2523 297.6573 -289.3273 -262.7280 760363.7585 -15.9977 -15.9906 PRESSURE: 4906200 193.108 -79.5025 5.52128 -79.5021 -253.573 208.009 5.52097 208.011 437.9 GPRESSURE: 4906200 156.935 -142.804 43.7407 -95.3957 -129.492 176.892 -15.9823 191.916 437.945 PRESSAVG: 4906200 -21.2686 -37.5183 24.3658 -37.5183 -6.345 29.3897 24.3658 29.3897 -1.17658 GPRESSAVG: 4906200 -20.9296 -36.3717 23.7821 -36.456 -5.35055 30.2806 23.734 28.1181 -1.90503 TIMING: 4906200 CPU: 15806.6, 0.00310262/step Wall: 15806.6, 0.00310262/step, 0.0808405 hours remaining, 234.882812 MB of memory in use. ENERGY: 4906200 3979.4681 20336.6788 14430.8331 256.2044 -203740.4034 2836.4091 0.0000 0.0000 52047.1727 -109853.6372 299.1158 -161900.8099 -109496.1457 298.2429 125.8116 155.1291 761048.1243 -9.5967 -9.3950 PRESSURE: 4906400 184.733 21.2246 60.7771 21.225 378.602 -83.7444 60.7776 -83.7444 303.082 GPRESSURE: 4906400 179.397 17.3214 179.105 115.788 407.458 -60.4061 -28.0301 -64.8844 393.107 PRESSAVG: 4906400 68.4455 -42.1755 22.6317 -42.1755 -40.5494 47.1375 22.6317 47.1375 -11.1302 GPRESSAVG: 4906400 68.3285 -43.2841 25.7379 -42.6029 -41.1837 46.7295 20.0772 49.7987 -10.2536 TIMING: 4906400 CPU: 15807.2, 0.00311673/step Wall: 15807.2, 0.00311673/step, 0.0810349 hours remaining, 234.882812 MB of memory in use. ENERGY: 4906400 3934.6788 20527.3140 14435.8623 264.8106 -203353.4955 2552.1001 0.0000 0.0000 51788.4988 -109850.2308 297.6292 -161638.7297 -109497.5618 298.2832 288.8056 326.6541 760409.4004 5.5886 5.6304 PRESSURE: 4906600 -315.495 -62.3875 -120.738 -62.3866 -179.45 76.1385 -120.738 76.139 -530.762 GPRESSURE: 4906600 -296.72 -88.6112 -170.441 -196.929 -144.148 139.845 -59.1213 -84.7557 -498.724 PRESSAVG: 4906600 -7.13035 -43.1606 23.6659 -43.1606 3.8853 41.7522 23.666 41.7522 4.21597 GPRESSAVG: 4906600 -8.10539 -40.8706 22.2401 -43.8723 4.29224 40.8134 24.5797 39.6957 4.619 TIMING: 4906600 CPU: 15807.9, 0.00311943/step Wall: 15807.9, 0.00311943/step, 0.0809318 hours remaining, 234.882812 MB of memory in use. ENERGY: 4906600 4043.9196 20518.9968 14427.4205 242.8508 -202736.4120 1972.4509 0.0000 0.0000 51869.4458 -109661.3276 298.0944 -161530.7734 -109292.3284 298.3766 -341.9024 -313.1974 760119.3336 0.3236 0.2686 PRESSURE: 4906800 -36.696 133.62 -69.189 133.621 -143.28 36.1097 -69.1894 36.1097 -488.403 GPRESSURE: 4906800 -96.2332 132.149 -116.3 21.8122 -148.68 -14.6989 39.0066 117.009 -363.582 PRESSAVG: 4906800 -19.6887 -1.32032 46.2857 -1.32029 -11.4553 -1.26838 46.2857 -1.2684 7.11522 GPRESSAVG: 4906800 -19.8241 -3.78638 44.5027 -0.682294 -11.5253 -1.84941 46.7494 -2.07641 6.71419 TIMING: 4906800 CPU: 15808.5, 0.00313904/step Wall: 15808.5, 0.00313904/step, 0.0812661 hours remaining, 234.882812 MB of memory in use. ENERGY: 4906800 3966.6540 20581.0805 14424.1117 228.4161 -203220.5731 2177.1114 0.0000 0.0000 52093.1843 -109750.0152 299.3802 -161843.1995 -109389.6286 299.2378 -222.7929 -202.8316 762201.1976 -8.0096 -8.2117 PRESSURE: 4907000 162.818 -16.891 119.647 -16.8908 -282.941 -252.42 119.646 -252.419 -170.26 GPRESSURE: 4907000 121.436 -75.804 123.835 -50.9664 -291.083 -249.287 134.751 -242.208 -58.6083 PRESSAVG: 4907000 47.2189 -5.52701 31.4758 -5.52702 -37.4546 71.2669 31.4758 71.2669 5.91681 GPRESSAVG: 4907000 47.0097 -5.88192 31.8605 -6.06599 -36.9867 72.3397 32.3589 71.8386 5.51313 TIMING: 4907000 CPU: 15809.1, 0.00314018/step Wall: 15809.1, 0.00314018/step, 0.0811214 hours remaining, 234.882812 MB of memory in use. ENERGY: 4907000 3905.7252 20269.9849 14420.4879 243.7715 -203330.5563 2597.9409 0.0000 0.0000 52136.5039 -109756.1420 299.6292 -161892.6459 -109377.9260 299.1708 -96.7943 -76.0849 763344.8390 5.2270 5.1787 PRESSURE: 4907200 -182.236 -17.5932 143.552 -17.5939 -280.503 89.2038 143.552 89.203 -52.2434 GPRESSURE: 4907200 -152.152 18.0173 187.825 -62.3538 -238.079 136.431 24.0691 140.62 -40.1724 PRESSAVG: 4907200 11.1746 -9.05685 32.1348 -9.05686 -2.7049 0.0257316 32.1348 0.0256144 7.69182 GPRESSAVG: 4907200 12.6159 -6.62313 33.2057 -8.1015 -3.32465 -0.866678 31.626 1.55609 7.18227 TIMING: 4907200 CPU: 15809.7, 0.00314046/step Wall: 15809.7, 0.00314046/step, 0.080954 hours remaining, 234.882812 MB of memory in use. ENERGY: 4907200 3884.1429 20556.9972 14470.5129 226.7690 -203426.1338 2502.6746 0.0000 0.0000 52000.4855 -109784.5517 298.8475 -161785.0371 -109424.3728 298.9755 -171.6609 -143.4678 761824.9038 5.3872 5.4912 PRESSURE: 4907400 -130.446 -64.2575 24.6688 -64.2585 -318.585 17.8248 24.6695 17.8249 -144.633 GPRESSURE: 4907400 -143.409 -7.06524 30.0654 -25.3279 -209.071 123.361 -42.5638 10.357 -147.523 PRESSAVG: 4907400 10.6497 12.3254 31.5264 12.3253 -12.5273 41.0636 31.5264 41.0636 -8.66598 GPRESSAVG: 4907400 10.654 12.6462 32.312 11.1372 -11.668 42.6497 30.5613 40.4214 -9.13026 TIMING: 4907400 CPU: 15810.4, 0.00314378/step Wall: 15810.4, 0.00314378/step, 0.0808651 hours remaining, 234.882812 MB of memory in use. ENERGY: 4907400 3893.7593 20700.0018 14479.4348 247.7604 -203244.0934 2203.3212 0.0000 0.0000 51956.0515 -109763.7644 298.5921 -161719.8159 -109401.8651 298.6020 -197.8878 -166.6678 760442.4882 -3.5145 -3.3814 PRESSURE: 4907600 -271.779 236.231 -300.737 236.23 -173.161 131.896 -300.737 131.897 -135.183 GPRESSURE: 4907600 -233.464 300.021 -313.347 173.471 -143.003 102.418 -198.403 149.18 -117.784 PRESSAVG: 4907600 -34.9752 12.6547 -45.9719 12.6547 -41.3092 -30.4994 -45.9719 -30.4994 -17.0697 GPRESSAVG: 4907600 -35.4481 11.6072 -46.3106 12.7117 -42.2603 -32.2418 -45.3394 -32.2843 -15.7336 TIMING: 4907600 CPU: 15811, 0.00312538/step Wall: 15811, 0.00312538/step, 0.080218 hours remaining, 234.882812 MB of memory in use. ENERGY: 4907600 3954.5062 20396.6471 14453.9112 248.0336 -203368.2123 2570.6339 0.0000 0.0000 51926.9173 -109817.5628 298.4247 -161744.4802 -109456.5714 298.7364 -193.3741 -164.7503 761342.5818 -31.1180 -31.1474 PRESSURE: 4907800 -18.9131 128.077 109.876 128.078 -141.468 78.7164 109.875 78.7171 -801.22 GPRESSURE: 4907800 -55.6467 18.8352 117.054 69.4741 -71.4181 97.2233 -63.0861 130.951 -737.671 PRESSAVG: 4907800 -30.5348 42.9775 -2.33245 42.9774 -13.723 7.26001 -2.33247 7.26007 4.49259 GPRESSAVG: 4907800 -31.2976 41.1904 -3.4142 44.1383 -12.359 7.67881 -3.46169 9.23065 4.13638 TIMING: 4907800 CPU: 15811.6, 0.00312503/step Wall: 15811.6, 0.00312503/step, 0.0800354 hours remaining, 234.882812 MB of memory in use. ENERGY: 4907800 3939.1469 20342.4931 14457.4860 246.8861 -203119.6371 2289.4995 0.0000 0.0000 52048.9229 -109795.2026 299.1259 -161844.1255 -109435.7013 298.7058 -320.5335 -288.2451 760636.0230 -13.2551 -13.1734 PRESSURE: 4908000 82.3897 -103.864 -196.618 -103.864 125.694 -135.201 -196.618 -135.201 303.393 GPRESSURE: 4908000 167.644 -94.1182 -222.668 -53.6547 192.038 -54.5807 -171.931 -248.46 253.831 PRESSAVG: 4908000 15.424 11.681 10.259 11.681 -11.9533 58.8465 10.259 58.8465 -9.68152 GPRESSAVG: 4908000 17.7839 13.3046 9.63572 9.52391 -13.5386 58.8383 12.4837 57.6029 -9.97541 TIMING: 4908000 CPU: 15812.2, 0.00313259/step Wall: 15812.2, 0.00313259/step, 0.080055 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4908000 3936.7273 20397.5014 14451.5626 241.1818 -203241.7662 2598.9935 0.0000 0.0000 51850.3646 -109765.4350 297.9848 -161615.7996 -109396.9299 298.3740 170.4920 204.5047 761025.4336 -2.0703 -1.9100 PRESSURE: 4908200 159.704 -288.345 -12.0681 -288.345 203.544 89.4264 -12.0674 89.4271 232.833 GPRESSURE: 4908200 189.205 -210.297 26.5233 -149.911 180.751 131.79 29.5913 -31.1164 300.414 PRESSAVG: 4908200 25.4406 17.6587 18.3089 17.6587 9.79235 20.8811 18.3089 20.881 19.9089 GPRESSAVG: 4908200 26.033 18.3671 19.7275 17.6565 10.3646 21.819 15.8262 19.7181 18.6735 TIMING: 4908200 CPU: 15812.9, 0.00314592/step Wall: 15812.9, 0.00314592/step, 0.080221 hours remaining, 234.882812 MB of memory in use. ENERGY: 4908200 4062.4348 20595.5685 14419.0858 246.4898 -203444.2736 2567.7707 0.0000 0.0000 51873.2207 -109679.7033 298.1161 -161552.9240 -109326.8619 298.9275 198.6936 223.4564 760086.7157 18.3806 18.3571 LDB: ============= START OF LOAD BALANCING ============== 15825.3 LDB: ============== END OF LOAD BALANCING =============== 15825.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15825.3 LDB: ============= START OF LOAD BALANCING ============== 15825.6 LDB: Largest compute 7075 load 0.035106 is 17.9% of average load 0.195582 LDB: Average compute 0.004381 is 2.2% of average load 0.195582 LDB: TIME 15825.6 LOAD: AVG 0.195582 MAX 0.214717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.227 MB LDB: TIME 15825.6 LOAD: AVG 0.195582 MAX 0.214717 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: TIME 15825.6 LOAD: AVG 0.195582 MAX 0.214717 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: ============== END OF LOAD BALANCING =============== 15825.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15825.6 PRESSURE: 4908400 -370.515 242.445 321.1 242.445 -180.572 -21.2031 321.099 -21.2036 87.1257 GPRESSURE: 4908400 -357.701 162.705 321.847 181.64 -195.866 -111.422 248.438 13.4421 175.88 PRESSAVG: 4908400 25.8319 -25.2103 18.4164 -25.2103 11.2302 -19.7991 18.4164 -19.7991 9.81693 GPRESSAVG: 4908400 24.2363 -27.1711 18.167 -24.9587 10.3424 -21.961 19.6815 -19.2238 11.3272 TIMING: 4908400 CPU: 15813.5, 0.00320567/step Wall: 15813.5, 0.00320567/step, 0.0815665 hours remaining, 235.765625 MB of memory in use. ENERGY: 4908400 3969.5658 20502.2361 14370.8676 253.2845 -203120.1039 2490.5846 0.0000 0.0000 51912.1112 -109621.4542 298.3396 -161533.5654 -109263.5772 299.0710 -154.6537 -125.8955 760131.1057 15.6263 15.3020 PRESSURE: 4908600 -156.029 42.7847 148.349 42.785 -108.239 79.6413 148.349 79.643 -114.008 GPRESSURE: 4908600 -148.723 116.387 66.2248 117.452 -10.9356 84.4165 40.3862 70.9998 -123.889 PRESSAVG: 4908600 -4.32928 -4.48749 22.8263 -4.48748 -17.0293 72.2307 22.8263 72.2307 1.69108 GPRESSAVG: 4908600 -4.56517 -4.12729 22.862 -2.05078 -16.6633 73.345 23.8368 72.7975 1.71795 TIMING: 4908600 CPU: 15814.1, 0.00313811/step Wall: 15814.1, 0.00313811/step, 0.0796732 hours remaining, 235.968750 MB of memory in use. ENERGY: 4908600 4000.2404 20458.7582 14505.3052 260.2361 -203329.5114 2359.9490 0.0000 0.0000 51874.4771 -109870.5454 298.1233 -161745.0225 -109511.9784 298.5156 -126.0922 -94.5159 759839.4741 -6.5558 -6.5035 PRESSURE: 4908800 30.7773 75.4915 29.0012 75.4917 -103.552 281.712 29.0021 281.712 -79.6455 GPRESSURE: 4908800 56.0892 59.913 50.8038 -8.91168 -71.3486 224.347 -75.5568 261.336 -31.78 PRESSAVG: 4908800 -10.7273 -4.96583 4.06572 -4.96586 -28.9279 -20.4725 4.06576 -20.4725 -11.8581 GPRESSAVG: 4908800 -11.3381 -4.23118 3.53801 -7.78257 -28.0278 -21.1116 3.7019 -21.2223 -11.8086 TIMING: 4908800 CPU: 15814.8, 0.00312008/step Wall: 15814.8, 0.00312008/step, 0.0790421 hours remaining, 236.226562 MB of memory in use. ENERGY: 4908800 4009.6644 20449.5251 14434.8951 232.2614 -203527.2115 2580.4536 0.0000 0.0000 51869.9481 -109950.4638 298.0973 -161820.4119 -109605.8532 297.6403 -50.8066 -15.6798 759766.5666 -17.1711 -17.0582 PRESSURE: 4909000 -162.247 -255.043 -116.522 -255.044 -230.118 236.361 -116.522 236.36 -110.002 GPRESSURE: 4909000 -110.72 -182.593 -183.38 -163.424 -229.796 243.33 -136.385 155.013 -68.319 PRESSAVG: 4909000 -7.65314 -16.5055 -27.3877 -16.5055 51.7641 27.1182 -27.3877 27.1182 12.7426 GPRESSAVG: 4909000 -6.89132 -17.8622 -26.7536 -16.1186 49.9133 28.0692 -26.2317 26.7707 13.7941 TIMING: 4909000 CPU: 15815.4, 0.00312831/step Wall: 15815.4, 0.00312831/step, 0.0790766 hours remaining, 236.226562 MB of memory in use. ENERGY: 4909000 4032.9326 20458.8441 14462.8643 238.3854 -203336.0896 2342.4975 0.0000 0.0000 51853.6544 -109946.9113 298.0037 -161800.5657 -109588.7891 298.3273 -167.4556 -136.2783 761206.9529 18.9512 18.9387 PRESSURE: 4909200 238.134 86.5627 263.597 86.5616 -41.479 151.559 263.597 151.56 -111.295 GPRESSURE: 4909200 245.701 137.895 218.958 -2.78584 -16.4471 189.05 262.356 161.165 -37.6725 PRESSAVG: 4909200 11.0319 25.0275 -10.6309 25.0275 -50.9496 18.4914 -10.631 18.4915 16.0178 GPRESSAVG: 4909200 10.5917 25.516 -12.3999 26.1124 -49.142 16.3714 -9.49809 19.1746 14.5151 TIMING: 4909200 CPU: 15816, 0.00314818/step Wall: 15816, 0.00314818/step, 0.0794041 hours remaining, 236.226562 MB of memory in use. ENERGY: 4909200 3941.9743 20235.7449 14476.0278 246.6952 -203415.4686 2605.0059 0.0000 0.0000 52041.5050 -109868.5155 299.0832 -161910.0205 -109504.0409 298.5865 28.4534 63.8606 760448.9043 -7.9666 -8.0117 PRESSURE: 4909400 -150.441 132.815 -19.5722 132.815 14.496 -88.1673 -19.5726 -88.1667 -71.3028 GPRESSURE: 4909400 -110.37 72.0086 -78.3917 182.818 -5.23352 -132.082 99.9733 -90.6931 -1.20365 PRESSAVG: 4909400 6.14324 12.4529 64.6254 12.4528 51.2449 16.8027 64.6254 16.8028 5.04653 GPRESSAVG: 4909400 7.43567 11.2714 67.2457 11.897 49.481 18.6027 62.7503 17.4548 6.22928 TIMING: 4909400 CPU: 15816.7, 0.00314371/step Wall: 15816.7, 0.00314371/step, 0.0791167 hours remaining, 236.226562 MB of memory in use. ENERGY: 4909400 3985.8093 20418.5395 14500.5495 241.2353 -203299.4697 2464.9916 0.0000 0.0000 51632.9695 -110055.3750 296.7354 -161688.3445 -109713.2358 298.0279 -69.0824 -38.9356 759708.0741 20.8116 21.0487 PRESSURE: 4909600 -275.09 -85.33 -100.543 -85.3299 -9.39389 -167.116 -100.542 -167.116 -49.9008 GPRESSURE: 4909600 -290.343 -108.299 -73.9677 -70.7693 -31.971 -110.653 -182.119 -224.579 56.4631 PRESSAVG: 4909600 15.6027 49.849 26.2902 49.849 12.1089 26.167 26.2903 26.167 -29.6478 GPRESSAVG: 4909600 15.0702 52.2525 25.554 48.8834 12.5801 27.3742 26.388 25.5874 -29.9305 TIMING: 4909600 CPU: 15817.3, 0.00313097/step Wall: 15817.3, 0.00313097/step, 0.0786222 hours remaining, 236.226562 MB of memory in use. ENERGY: 4909600 3984.1309 20266.1926 14555.1964 235.0451 -202928.5946 2333.6282 0.0000 0.0000 51884.7875 -109669.6138 298.1826 -161554.4013 -109310.8872 298.1122 -111.4616 -88.6170 760438.0768 -0.6454 -0.7601 PRESSURE: 4909800 -73.5599 42.8766 95.6534 42.8756 -291.12 -52.9983 95.6535 -52.9987 277.027 GPRESSURE: 4909800 -97.3026 -26.4094 12.6161 58.8471 -225.322 -68.745 114.195 -121.324 309.746 PRESSAVG: 4909800 1.7138 -1.81371 63.5186 -1.81374 19.0925 -18.7681 63.5185 -18.7681 17.5733 GPRESSAVG: 4909800 2.59297 -2.18836 65.7074 -1.18798 19.5399 -22.1866 62.2293 -18.1627 16.8001 TIMING: 4909800 CPU: 15817.9, 0.00314177/step Wall: 15817.9, 0.00314177/step, 0.0787187 hours remaining, 236.226562 MB of memory in use. ENERGY: 4909800 3980.9538 20442.6587 14482.5758 250.7043 -202913.7977 2304.6754 0.0000 0.0000 51961.0632 -109491.1666 298.6209 -161452.2298 -109131.9657 299.2826 -29.2175 -4.2929 761936.2747 12.7932 12.9776 PRESSURE: 4910000 463.755 12.3677 -157.71 12.3667 381.96 -203.285 -157.709 -203.286 349.174 GPRESSURE: 4910000 557.964 144.071 -91.0356 53.5572 408.379 -103.905 -196.473 -124.703 320.618 PRESSAVG: 4910000 24.2833 15.054 75.5442 15.054 -28.395 -0.56512 75.5442 -0.565133 9.16498 GPRESSAVG: 4910000 23.2509 16.2092 74.7231 14.1287 -27.9728 2.86337 76.2894 -0.870418 9.98689 TIMING: 4910000 CPU: 15818.5, 0.00313344/step Wall: 15818.5, 0.00313344/step, 0.0783361 hours remaining, 236.226562 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: 4910000 4022.0202 20379.9536 14536.8181 247.2216 -203237.6433 2719.8431 0.0000 0.0000 51907.4979 -109424.2888 298.3131 -161331.7866 -109066.2847 299.0025 398.2962 428.9872 761488.3132 1.6844 1.7550 PRESSURE: 4910200 -45.2993 236.417 -18.1652 236.417 -275.732 127.407 -18.1636 127.408 -389.814 GPRESSURE: 4910200 -27.3483 186.523 -13.4039 195.246 -231.355 118.587 -25.3217 259.984 -353.732 PRESSAVG: 4910200 27.2116 -30.4362 5.16125 -30.4362 -28.1698 51.1175 5.16124 51.1175 -19.4379 GPRESSAVG: 4910200 27.5731 -31.8559 5.82842 -31.0451 -27.6318 50.4399 4.29473 51.5984 -20.8262 TIMING: 4910200 CPU: 15819.2, 0.00311811/step Wall: 15819.2, 0.00311811/step, 0.0777795 hours remaining, 236.226562 MB of memory in use. ENERGY: 4910200 3935.5028 20348.0415 14496.9241 246.0236 -203131.1973 2419.6886 0.0000 0.0000 52127.1551 -109557.8616 299.5755 -161685.0167 -109185.4448 298.6036 -236.9483 -204.1453 761357.5844 -6.7987 -6.9616 PRESSURE: 4910400 -123.057 -127.438 131.491 -127.439 2.00323 -94.2248 131.491 -94.2258 118.091 GPRESSURE: 4910400 -78.7198 -58.476 130.509 -136.372 3.28094 -93.1876 104.298 -123.018 166.469 PRESSAVG: 4910400 -5.21497 21.1276 17.7095 21.1276 8.81501 50.948 17.7094 50.9479 15.8049 GPRESSAVG: 4910400 -4.65304 22.1132 16.5789 22.382 8.11768 52.6269 19.2913 49.7304 15.9423 TIMING: 4910400 CPU: 15819.8, 0.00314028/step Wall: 15819.8, 0.00314028/step, 0.078158 hours remaining, 236.226562 MB of memory in use. ENERGY: 4910400 3876.4511 20431.9910 14532.4855 245.4687 -203164.3782 2523.5053 0.0000 0.0000 52074.4427 -109480.0340 299.2725 -161554.4767 -109120.5240 299.2136 -0.9875 30.3434 761417.5807 6.4683 6.4690 PRESSURE: 4910600 15.7759 150.359 -90.685 150.358 -96.4612 202.848 -90.6844 202.848 -37.4126 GPRESSURE: 4910600 61.3829 156.003 -215.369 209.11 -40.1154 137.65 -28.2783 226.404 -63.7225 PRESSAVG: 4910600 48.1916 -4.31921 3.95363 -4.31924 -70.3764 66.0736 3.95362 66.0736 -13.0944 GPRESSAVG: 4910600 47.2991 -7.2731 2.52337 -2.76097 -69.5666 64.8536 6.06013 64.5249 -13.2606 TIMING: 4910600 CPU: 15820.4, 0.00314346/step Wall: 15820.4, 0.00314346/step, 0.0780625 hours remaining, 236.226562 MB of memory in use. ENERGY: 4910600 3955.5300 20403.1821 14434.9754 230.9792 -203557.7054 2652.7662 0.0000 0.0000 52145.5395 -109734.7331 299.6811 -161880.2726 -109375.6065 299.0705 -39.3660 -14.1517 761458.2843 -11.7597 -11.8427 PRESSURE: 4910800 -454.458 12.7448 -158.607 12.7441 151.847 -54.5749 -158.607 -54.5756 -191.263 GPRESSURE: 4910800 -375.145 100.103 -184.484 -22.8099 95.5546 -99.9595 -57.3185 70.3648 -141.178 PRESSAVG: 4910800 -25.2012 -21.6362 21.5671 -21.6361 51.3094 -2.0719 21.5671 -2.07191 -6.91589 GPRESSAVG: 4910800 -26.1841 -20.8996 23.3033 -22.4396 50.4902 -3.10778 18.7885 -0.398859 -5.51876 TIMING: 4910800 CPU: 15821, 0.00313464/step Wall: 15821, 0.00313464/step, 0.0776695 hours remaining, 236.226562 MB of memory in use. ENERGY: 4910800 3977.8633 20323.1598 14464.6000 255.5285 -203171.2367 2436.8605 0.0000 0.0000 52059.7041 -109653.5204 299.1878 -161713.2245 -109286.6832 299.2689 -164.6244 -140.2564 761076.4330 6.3974 6.2624 PRESSURE: 4911000 -96.5943 -219.006 -66.118 -219.007 9.94517 165.574 -66.1192 165.574 -623.524 GPRESSURE: 4911000 -34.3105 -224.798 5.50616 -171.396 56.2018 96.8024 -86.1331 166.994 -642.156 PRESSAVG: 4911000 -15.6535 -35.3731 -17.9192 -35.3731 6.43898 40.3248 -17.9192 40.3248 19.1759 GPRESSAVG: 4911000 -15.2543 -34.4148 -19.2718 -33.995 7.31455 41.7211 -15.6608 39.385 17.3776 TIMING: 4911000 CPU: 15821.7, 0.0031332/step Wall: 15821.7, 0.0031332/step, 0.0774596 hours remaining, 236.226562 MB of memory in use. ENERGY: 4911000 3973.0403 20466.3337 14491.2726 240.9500 -203740.3008 2682.7451 0.0000 0.0000 52443.4753 -109442.4838 301.3934 -161885.9591 -109080.3991 299.2658 -236.7243 -206.7548 761328.6041 3.3205 3.1460 PRESSURE: 4911200 -37.8011 -68.2292 -251.663 -68.2293 -255.231 62.7284 -251.663 62.728 -14.3899 GPRESSURE: 4911200 -125.178 -69.837 -276.587 -91.9146 -118.749 41.871 -306.058 236.181 28.6287 PRESSAVG: 4911200 11.9526 -38.3535 -11.6917 -38.3535 -15.0139 1.58249 -11.6918 1.58254 -11.5051 GPRESSAVG: 4911200 10.7656 -37.6518 -11.0201 -40.2127 -15.0143 1.53771 -12.4442 2.43455 -10.404 TIMING: 4911200 CPU: 15822.3, 0.00314631/step Wall: 15822.3, 0.00314631/step, 0.0776091 hours remaining, 236.226562 MB of memory in use. ENERGY: 4911200 4046.4621 20477.2422 14446.6469 250.1385 -202953.3228 2225.8293 0.0000 0.0000 52075.2842 -109431.7197 299.2774 -161507.0039 -109068.5811 299.9887 -102.4741 -71.7662 761667.8738 -4.8555 -4.8842 PRESSURE: 4911400 -20.8401 128.718 437.849 128.718 102.46 110.437 437.849 110.437 290.212 GPRESSURE: 4911400 76.7995 129.341 406.38 78.8935 65.5109 62.5706 328.731 106.795 322.655 PRESSAVG: 4911400 -30.3715 -61.9565 43.3566 -61.9564 42.3666 -5.78348 43.3566 -5.78353 24.5757 GPRESSAVG: 4911400 -30.1634 -62.0297 42.6201 -63.0159 42.4755 -5.73704 42.9895 -5.86285 24.4588 TIMING: 4911400 CPU: 15822.9, 0.00313299/step Wall: 15822.9, 0.00313299/step, 0.0771063 hours remaining, 236.226562 MB of memory in use. ENERGY: 4911400 3965.5260 20554.1782 14480.8522 243.6601 -203118.6741 2426.5276 0.0000 0.0000 52009.6830 -109438.2472 298.9004 -161447.9302 -109085.3529 299.3349 123.9439 154.9886 760886.3266 12.1903 12.2570 PRESSURE: 4911600 -271.409 165.549 -38.3527 165.549 -75.2079 43.362 -38.3534 43.3628 -218.069 GPRESSURE: 4911600 -194.331 67.0553 15.85 104.149 -57.472 91.1108 38.1158 -72.6449 -214.853 PRESSAVG: 4911600 41.7935 -32.6875 -9.85801 -32.6875 -68.0986 -12.4174 -9.85805 -12.4175 -20.273 GPRESSAVG: 4911600 43.1096 -32.7953 -9.71322 -32.7641 -68.7534 -12.8171 -10.0372 -11.8445 -21.0508 TIMING: 4911600 CPU: 15823.6, 0.0031433/step Wall: 15823.6, 0.0031433/step, 0.0771855 hours remaining, 236.226562 MB of memory in use. ENERGY: 4911600 4030.1105 20386.8835 14509.9985 242.2571 -203465.2017 2622.2111 0.0000 0.0000 52110.2670 -109563.4741 299.4784 -161673.7410 -109199.5132 299.1677 -188.2286 -155.5521 760540.1429 -15.5261 -15.5649 PRESSURE: 4911800 -36.1036 -86.6488 -89.8681 -86.6489 34.9097 63.2811 -89.8676 63.2813 -82.035 GPRESSURE: 4911800 -43.7315 -97.5947 -5.10363 -153.02 71.3162 29.5879 -123.366 111.818 -30.3737 PRESSAVG: 4911800 20.4757 -34.1461 -44.9575 -34.1461 -14.1083 -5.95065 -44.9575 -5.95069 2.51651 GPRESSAVG: 4911800 19.9226 -35.5875 -44.9439 -31.4515 -14.1116 -6.46316 -45.1881 -6.53983 2.87877 TIMING: 4911800 CPU: 15824.2, 0.00314142/step Wall: 15824.2, 0.00314142/step, 0.0769649 hours remaining, 236.226562 MB of memory in use. ENERGY: 4911800 3957.3568 20367.4350 14524.3459 234.3067 -203526.6955 2704.2263 0.0000 0.0000 52169.3127 -109569.7121 299.8178 -161739.0248 -109203.8935 299.3435 -27.7430 -0.9297 759789.5146 2.9613 2.8966 PRESSURE: 4912000 -80.9909 -131.73 184.148 -131.73 -175.756 166.507 184.147 166.505 46.1322 GPRESSURE: 4912000 -82.1264 -96.633 118.994 -142.948 -57.3798 76.1072 135.967 92.3931 25.414 PRESSAVG: 4912000 18.2257 -23.5347 15.7317 -23.5346 -13.9903 -9.50269 15.7317 -9.50271 -31.1249 GPRESSAVG: 4912000 18.8368 -22.043 14.7034 -24.661 -14.357 -10.1519 16.2605 -9.48632 -31.6336 TIMING: 4912000 CPU: 15824.8, 0.00312225/step Wall: 15824.8, 0.00312225/step, 0.0763216 hours remaining, 236.226562 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: 4912000 4003.3893 20367.7212 14515.6964 234.9677 -203443.5381 2446.1970 0.0000 0.0000 52165.0166 -109710.5498 299.7931 -161875.5664 -109345.3141 299.3843 -70.2048 -38.0307 761297.9697 -8.9632 -9.0513 PRESSURE: 4912200 -232.305 -159.079 41.9 -159.079 -274.781 -127.035 41.8991 -127.035 -296.113 GPRESSURE: 4912200 -194.049 -147.002 55.9403 -174.32 -163.004 -207.116 -53.0432 -210.851 -367.752 PRESSAVG: 4912200 -2.17293 0.325831 -35.0573 0.325762 11.9126 -65.4702 -35.0573 -65.4702 -21.2138 GPRESSAVG: 4912200 -3.00412 0.895425 -35.7085 -1.3423 12.0124 -64.4987 -35.7694 -65.664 -20.6599 TIMING: 4912200 CPU: 15825.4, 0.00311238/step Wall: 15825.4, 0.00311237/step, 0.0759074 hours remaining, 236.226562 MB of memory in use. ENERGY: 4912200 3996.0672 20462.3657 14476.4057 254.2627 -203093.9731 2372.2560 0.0000 0.0000 51812.4959 -109720.1198 297.7671 -161532.6157 -109357.8811 298.7565 -267.7334 -241.6016 761109.2851 -3.8247 -3.8839 LDB: ============= START OF LOAD BALANCING ============== 15837.8 LDB: ============== END OF LOAD BALANCING =============== 15837.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15837.8 LDB: ============= START OF LOAD BALANCING ============== 15838.2 LDB: Largest compute 7075 load 0.035727 is 18.3% of average load 0.195697 LDB: Average compute 0.004362 is 2.2% of average load 0.195697 LDB: TIME 15838.2 LOAD: AVG 0.195697 MAX 0.212618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 15838.2 LOAD: AVG 0.195697 MAX 0.212618 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 15838.2 LOAD: AVG 0.195697 MAX 0.212618 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 15838.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15838.2 PRESSURE: 4912400 122.917 230.187 -4.78597 230.186 -251.001 82.598 -4.78645 82.598 -390.544 GPRESSURE: 4912400 -12.0711 166.558 -19.5237 189.515 -93.3895 20.3395 -208.7 50.6887 -321.258 PRESSAVG: 4912400 0.100234 24.0305 -30.068 24.0304 1.44819 -8.88973 -30.0679 -8.88975 12.4551 GPRESSAVG: 4912400 -0.805917 21.5128 -30.2786 24.6663 2.24384 -7.98249 -31.3067 -7.88333 12.4925 TIMING: 4912400 CPU: 15826.1, 0.00319024/step Wall: 15826.1, 0.00319024/step, 0.0776291 hours remaining, 233.601562 MB of memory in use. ENERGY: 4912400 4006.2982 20319.4502 14482.3456 235.1000 -203169.3188 2183.3530 0.0000 0.0000 52217.1495 -109725.6223 300.0927 -161942.7718 -109358.4486 298.9342 -172.8761 -142.2397 759638.3143 4.6678 4.6435 PRESSURE: 4912600 -284.397 47.3399 -214.931 47.34 -220.202 -2.16822 -214.931 -2.16835 -283.646 GPRESSURE: 4912600 -202.709 9.01158 -144.292 15.9701 -136.363 -35.3885 -265.304 -33.4314 -366.765 PRESSAVG: 4912600 -16.1834 -61.3472 -26.754 -61.3472 -30.8203 -15.2405 -26.754 -15.2405 0.289286 GPRESSAVG: 4912600 -15.6572 -59.4593 -26.0887 -59.3166 -31.2904 -14.1607 -25.7239 -16.2816 0.180189 TIMING: 4912600 CPU: 15826.7, 0.00311508/step Wall: 15826.7, 0.00311508/step, 0.0756273 hours remaining, 233.601562 MB of memory in use. ENERGY: 4912600 4019.8843 20530.2081 14478.9614 256.5366 -203349.3503 2361.2120 0.0000 0.0000 52272.8077 -109429.7403 300.4125 -161702.5480 -109066.1622 299.4079 -262.7484 -235.2789 762788.1739 -15.5715 -15.5891 PRESSURE: 4912800 -284.667 23.2113 -149.757 23.2119 111.476 -60.4335 -149.758 -60.4334 505.407 GPRESSURE: 4912800 -159.899 -4.82513 -64.8267 -75.5007 97.9431 -122.766 -157.302 -135.349 467.996 PRESSAVG: 4912800 -0.251782 21.2392 -31.7078 21.2391 -17.045 -28.1727 -31.7078 -28.1728 -23.0282 GPRESSAVG: 4912800 0.475232 20.2199 -30.7556 19.9586 -17.3733 -31.3993 -32.1661 -27.4788 -23.7144 TIMING: 4912800 CPU: 15827.3, 0.00311563/step Wall: 15827.3, 0.00311562/step, 0.0754674 hours remaining, 233.601562 MB of memory in use. ENERGY: 4912800 3999.1399 20509.2656 14508.9456 262.3927 -203431.4971 2861.2720 0.0000 0.0000 51897.9772 -109392.5041 298.2584 -161290.4813 -109034.8843 299.7153 110.7386 135.3467 761428.1782 -13.4416 -13.5375 PRESSURE: 4913000 -428.182 13.335 -117.377 13.3353 -12.1303 52.9953 -117.376 52.9951 -271.307 GPRESSURE: 4913000 -378.575 20.4739 -77.9477 0.476917 -36.1647 79.246 25.1366 -33.7652 -198.719 PRESSAVG: 4913000 18.5537 -27.8389 -12.5382 -27.8389 -12.8036 -23.2068 -12.5383 -23.2068 6.95152 GPRESSAVG: 4913000 18.6028 -29.3412 -12.7293 -26.5904 -13.3905 -22.3686 -11.7528 -24.0259 7.52078 TIMING: 4913000 CPU: 15827.9, 0.00311255/step Wall: 15827.9, 0.00311255/step, 0.0752199 hours remaining, 233.601562 MB of memory in use. ENERGY: 4913000 4002.3462 20521.4441 14473.8376 232.5378 -203050.6021 2387.2967 0.0000 0.0000 52321.9602 -109111.1794 300.6950 -161433.1396 -108749.8959 299.7710 -237.2064 -204.4864 760579.8180 4.2339 4.2444 PRESSURE: 4913200 -282.451 7.9827 -100.694 7.9824 154.089 -116.25 -100.693 -116.249 -292.146 GPRESSURE: 4913200 -239.693 21.3801 -89.6244 31.1665 159.949 -187.561 -119.594 -33.913 -233.421 PRESSAVG: 4913200 3.14043 6.28915 -36.1317 6.28916 30.2562 6.99336 -36.1317 6.9933 -12.6082 GPRESSAVG: 4913200 2.61977 6.90053 -36.3154 5.69419 29.8634 6.1382 -35.8745 7.83188 -11.5535 TIMING: 4913200 CPU: 15828.6, 0.00313169/step Wall: 15828.6, 0.00313169/step, 0.0755086 hours remaining, 233.601562 MB of memory in use. ENERGY: 4913200 3968.0485 20232.0560 14455.8874 237.7722 -203081.6665 2326.4234 0.0000 0.0000 52551.0945 -109310.3844 302.0119 -161861.4789 -108941.9094 300.0326 -140.1696 -104.3884 760696.2135 6.9295 6.9766 PRESSURE: 4913400 251.097 -152.741 -125.893 -152.741 66.598 43.8379 -125.893 43.8379 461.818 GPRESSURE: 4913400 294.119 -151.67 -91.6999 0.64223 119.273 74.0135 -124.06 -91.9777 445.064 PRESSAVG: 4913400 -12.7366 -45.3386 -8.93022 -45.3386 -0.014103 -12.4002 -8.93022 -12.4002 2.02226 GPRESSAVG: 4913400 -12.514 -45.7576 -8.74788 -44.3 1.21714 -10.7531 -8.3944 -11.479 0.547219 TIMING: 4913400 CPU: 15829.2, 0.00313536/step Wall: 15829.2, 0.00313536/step, 0.0754229 hours remaining, 233.601562 MB of memory in use. ENERGY: 4913400 3949.2644 20527.9315 14468.1084 238.5066 -203129.0434 2307.6843 0.0000 0.0000 52308.2024 -109329.3459 300.6160 -161637.5484 -108966.0442 299.4422 259.8375 286.1518 759630.2589 -3.5762 -3.5832 PRESSURE: 4913600 -148.821 -107.858 -95.4817 -107.857 97.7445 298.306 -95.4816 298.306 22.4517 GPRESSURE: 4913600 -172.289 -146.925 -241.396 6.20901 213.937 351.91 -83.4172 354.597 13.4873 PRESSAVG: 4913600 12.2467 28.5872 -45.4576 28.5872 37.5985 30.437 -45.4576 30.437 -12.5876 GPRESSAVG: 4913600 11.2565 28.4303 -44.9804 25.8509 37.8149 28.8709 -47.2293 29.932 -11.8901 TIMING: 4913600 CPU: 15829.8, 0.00311796/step Wall: 15829.8, 0.00311796/step, 0.074831 hours remaining, 233.601562 MB of memory in use. ENERGY: 4913600 3985.2747 20468.3370 14480.5161 274.9108 -203052.8572 2328.2141 0.0000 0.0000 52257.9076 -109257.6969 300.3269 -161515.6045 -108888.1654 299.6719 -9.5417 18.3782 761181.5159 12.4192 12.3938 PRESSURE: 4913800 278.119 -116.943 20.1417 -116.943 363.847 -30.5801 20.1417 -30.5791 160.178 GPRESSURE: 4913800 367.241 -140.754 -75.9552 -26.2811 392.013 3.66949 -17.9133 104.027 136.169 PRESSAVG: 4913800 65.0924 -75.9544 -3.72052 -75.9544 -33.9685 6.26562 -3.72054 6.26562 -12.3294 GPRESSAVG: 4913800 66.9375 -75.4281 -5.55422 -71.3569 -34.9036 6.87031 -0.801703 6.84509 -13.4883 TIMING: 4913800 CPU: 15830.4, 0.00312374/step Wall: 15830.4, 0.00312374/step, 0.0747961 hours remaining, 233.601562 MB of memory in use. ENERGY: 4913800 3934.1035 20576.0257 14482.6781 255.1533 -203404.9329 2695.6774 0.0000 0.0000 51829.2990 -109631.9959 297.8637 -161461.2948 -109265.0078 299.5855 267.3814 298.4742 760587.0603 6.2648 6.1819 PRESSURE: 4914000 155.089 115.799 38.5484 115.801 65.9577 82.8414 38.5488 82.8415 103.989 GPRESSURE: 4914000 160.072 81.3631 33.0112 202.526 33.4494 95.4049 1.15815 19.795 207.428 PRESSAVG: 4914000 7.81933 -31.2042 -21.6124 -31.2042 -10.5604 -10.8475 -21.6124 -10.8475 11.7944 GPRESSAVG: 4914000 5.31413 -34.7883 -19.6882 -31.9328 -9.44467 -9.44467 -24.4116 -14.1047 13.5213 TIMING: 4914000 CPU: 15831.1, 0.00312706/step Wall: 15831.1, 0.00312706/step, 0.0747021 hours remaining, 233.601562 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: 4914000 3865.5451 20533.7788 14487.3611 254.7676 -203353.5195 2523.3524 0.0000 0.0000 51938.0551 -109750.6594 298.4887 -161688.7145 -109383.4887 298.8005 108.3453 133.6497 760295.4383 3.0178 3.1302 PRESSURE: 4914200 9.59095 -116.455 -105.869 -116.455 -233.559 -81.6115 -105.869 -81.6109 -67.5079 GPRESSURE: 4914200 46.7501 -177.938 -98.0912 -72.6107 -196.536 -29.909 -38.5253 -157.396 -44.7013 PRESSAVG: 4914200 -25.2943 -34.4439 -43.0116 -34.4439 36.4132 10.4424 -43.0116 10.4424 30.8275 GPRESSAVG: 4914200 -23.7363 -30.7991 -45.1239 -35.8308 35.0227 10.957 -41.9325 12.9011 31.2754 TIMING: 4914200 CPU: 15831.7, 0.00313605/step Wall: 15831.7, 0.00313605/step, 0.0747425 hours remaining, 233.601562 MB of memory in use. ENERGY: 4914200 3958.9949 20552.3979 14402.2575 248.9351 -203432.2369 2583.8449 0.0000 0.0000 51937.9947 -109747.8120 298.4884 -161685.8066 -109372.4371 298.2217 -97.1585 -64.8290 761287.5016 13.9821 14.1873 PRESSURE: 4914400 -112.561 -116.991 -69.4524 -116.991 301.233 -177.507 -69.4524 -177.506 -318.061 GPRESSURE: 4914400 -97.1915 -27.0188 -35.6097 -165.312 269.121 -225.482 -53.4018 -16.3922 -211.425 PRESSAVG: 4914400 -22.8661 -35.4423 -16.1838 -35.4423 -4.89414 55.8379 -16.1838 55.8379 1.69749 GPRESSAVG: 4914400 -22.3182 -37.9109 -14.678 -35.4267 -4.48082 53.4255 -17.3148 55.6152 1.03377 TIMING: 4914400 CPU: 15832.3, 0.00315394/step Wall: 15832.3, 0.00315394/step, 0.0749936 hours remaining, 233.601562 MB of memory in use. ENERGY: 4914400 3925.3245 20745.0830 14500.4646 238.4562 -203493.8122 2274.2798 0.0000 0.0000 52107.5839 -109702.6202 299.4630 -161810.2041 -109336.8473 298.5473 -43.1296 -13.1650 760773.7062 -8.6876 -8.5884 PRESSURE: 4914600 -299.685 -38.5243 -19.4917 -38.5242 -242.748 12.8596 -19.4913 12.8589 538.348 GPRESSURE: 4914600 -257.268 -154.301 9.5734 -54.5385 -173.164 120.721 -27.4764 -10.8139 519.867 PRESSAVG: 4914600 34.3791 -1.52549 11.1543 -1.52548 -18.2211 16.014 11.1544 16.014 -10.7731 GPRESSAVG: 4914600 34.2052 -0.849014 8.90344 -2.10111 -18.4216 17.6087 13.6793 14.9609 -10.5494 TIMING: 4914600 CPU: 15833, 0.003152/step Wall: 15833, 0.003152/step, 0.0747724 hours remaining, 233.601562 MB of memory in use. ENERGY: 4914600 3909.6999 20502.3154 14489.0901 237.3113 -203588.7934 2641.8525 0.0000 0.0000 51863.2726 -109945.2516 298.0589 -161808.5242 -109591.2564 298.6095 -1.3618 29.8117 759749.5076 1.7950 1.7447 PRESSURE: 4914800 159.269 62.572 -222.315 62.5725 143.608 158.592 -222.314 158.593 114.808 GPRESSURE: 4914800 159.433 -56.7111 -308.82 -17.689 189.999 67.8104 -188.858 152.438 147.514 PRESSAVG: 4914800 -15.0079 -56.5841 -48.4335 -56.584 -10.137 -31.0529 -48.4335 -31.0528 -5.94375 GPRESSAVG: 4914800 -16.7553 -57.1004 -46.4641 -56.3772 -8.71098 -30.6136 -49.1559 -32.1944 -5.91377 TIMING: 4914800 CPU: 15833.6, 0.00314607/step Wall: 15833.6, 0.00314607/step, 0.0744569 hours remaining, 233.601562 MB of memory in use. ENERGY: 4914800 3947.1130 20366.5301 14436.6139 245.3370 -203486.9256 2690.9127 0.0000 0.0000 51845.3108 -109955.1081 297.9557 -161800.4189 -109582.2704 298.2271 139.2282 165.6488 760369.8663 -10.3629 -10.4600 PRESSURE: 4915000 -196.164 216.56 -120.281 216.559 75.2248 -26.617 -120.281 -26.6164 123.191 GPRESSURE: 4915000 -182.063 231.803 -84.7567 203.759 72.0808 99.964 -74.4811 -129.466 187.488 PRESSAVG: 4915000 29.8628 -15.8035 -31.3766 -15.8035 -13.4249 -12.4984 -31.3766 -12.4985 13.8837 GPRESSAVG: 4915000 32.0703 -14.7747 -32.3874 -18.2753 -15.3351 -13.9046 -32.0225 -11.4917 13.8039 TIMING: 4915000 CPU: 15834.2, 0.00313648/step Wall: 15834.2, 0.00313648/step, 0.0740559 hours remaining, 233.601562 MB of memory in use. ENERGY: 4915000 3947.7555 20331.4678 14422.4497 277.2883 -203440.4711 2461.5788 0.0000 0.0000 51865.5879 -110134.3431 298.0722 -161999.9310 -109775.2024 297.8705 0.7505 25.8353 760812.0752 10.1072 10.1797 PRESSURE: 4915200 319.081 -192.085 -214.965 -192.086 323.919 37.9767 -214.965 37.9766 198.44 GPRESSURE: 4915200 425.207 -155.448 -220.955 -239.364 381.039 -44.9726 -72.6747 22.8039 133.796 PRESSAVG: 4915200 84.3946 -33.7449 -49.5722 -33.7449 -33.3373 -16.0796 -49.5722 -16.0796 24.1328 GPRESSAVG: 4915200 83.7654 -34.3679 -47.8748 -33.6733 -31.971 -13.2625 -49.3919 -14.6985 23.259 TIMING: 4915200 CPU: 15834.8, 0.0031506/step Wall: 15834.8, 0.0031506/step, 0.0742142 hours remaining, 233.601562 MB of memory in use. ENERGY: 4915200 3888.3106 20480.0203 14396.1376 248.1699 -203724.6410 2649.0754 0.0000 0.0000 52096.2396 -109966.6876 299.3978 -162062.9272 -109601.2981 298.5633 280.4798 313.3472 760752.8612 25.0634 25.0178 PRESSURE: 4915400 -341.34 -36.6222 -23.6344 -36.6221 -52.5897 5.85248 -23.6347 5.85305 -439.737 GPRESSURE: 4915400 -141.738 -18.844 -9.52771 -88.6993 -126.486 28.6551 58.5159 -78.7106 -475.637 PRESSAVG: 4915400 7.97797 15.3913 -25.0708 15.3914 0.536585 -5.30294 -25.0709 -5.3029 4.19627 GPRESSAVG: 4915400 9.01524 15.8236 -27.6743 18.3172 -0.857399 -6.61279 -23.1206 -6.19909 4.77449 TIMING: 4915400 CPU: 15835.5, 0.00314108/step Wall: 15835.5, 0.00314108/step, 0.0738153 hours remaining, 233.601562 MB of memory in use. ENERGY: 4915400 4021.9497 20434.0419 14478.2577 248.3919 -203121.4646 2176.1437 0.0000 0.0000 51890.6672 -109872.0124 298.2164 -161762.6796 -109514.2728 298.5192 -277.8888 -247.9538 762472.7356 4.2369 4.3108 PRESSURE: 4915600 178.339 42.7757 74.6534 42.7759 -213.143 -26.1754 74.6535 -26.1738 -500.29 GPRESSURE: 4915600 103.899 -2.07889 124.458 27.7173 -110.131 -37.7198 11.1681 -4.40113 -436.062 PRESSAVG: 4915600 1.40652 -57.4619 -1.8376 -57.4619 37.45 -17.8339 -1.83759 -17.8338 -35.3565 GPRESSAVG: 4915600 -0.54301 -58.1866 -0.372948 -58.1276 38.0844 -16.5122 -4.91512 -17.7054 -34.0025 TIMING: 4915600 CPU: 15836.1, 0.00314763/step Wall: 15836.1, 0.00314763/step, 0.0737946 hours remaining, 233.601562 MB of memory in use. ENERGY: 4915600 3949.5529 20594.9423 14453.4197 245.0044 -203405.7563 2197.7283 0.0000 0.0000 52001.6305 -109963.4782 298.8541 -161965.1086 -109598.3079 298.4673 -178.3648 -147.4314 760799.7520 1.1667 1.1796 PRESSURE: 4915800 -266.933 -176.611 -148.553 -176.612 -242.138 64.9155 -148.552 64.9148 180.52 GPRESSURE: 4915800 -203.845 -47.9484 -149.514 -74.1698 -114.562 74.6357 -74.0197 84.5176 87.1923 PRESSAVG: 4915800 -20.1945 -38.4874 -5.42884 -38.4874 24.8622 27.7714 -5.42883 27.7714 -15.5141 GPRESSAVG: 4915800 -19.3993 -38.3325 -6.29398 -38.247 25.9443 25.5333 -5.10547 26.6485 -17.5329 TIMING: 4915800 CPU: 15836.7, 0.00316612/step Wall: 15836.7, 0.00316612/step, 0.0740521 hours remaining, 233.601562 MB of memory in use. ENERGY: 4915800 3951.1342 20358.3657 14435.0233 258.4654 -203534.0311 2333.7831 0.0000 0.0000 52176.8838 -110020.3757 299.8613 -162197.2594 -109642.2236 298.4885 -109.5171 -77.0714 760081.8589 -3.6155 -3.6627 PRESSURE: 4916000 207.551 -130.722 -365.055 -130.721 -337.331 65.7698 -365.055 65.7707 -119.683 GPRESSURE: 4916000 211.515 -82.3625 -356.703 -107.512 -304.953 86.1635 -450.872 58.0503 -61.3436 PRESSAVG: 4916000 40.6976 -8.89219 8.72092 -8.89218 -10.6364 18.3961 8.72095 18.3961 9.29729 GPRESSAVG: 4916000 40.0559 -8.23564 6.81664 -10.6401 -11.2395 19.7434 9.37492 20.362 10.7251 TIMING: 4916000 CPU: 15837.4, 0.00315083/step Wall: 15837.4, 0.00315083/step, 0.0735193 hours remaining, 233.601562 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: 4916000 4031.1149 20445.4547 14469.0924 249.6111 -203703.0769 2336.1878 0.0000 0.0000 52241.7832 -109929.8329 300.2342 -162171.6160 -109568.6468 298.9577 -83.1544 -51.5936 759515.5325 13.1195 13.1805 PRESSURE: 4916200 -307.035 -14.424 20.7448 -14.4247 -227.672 -60.9229 20.7456 -60.9226 26.3788 GPRESSURE: 4916200 -276.256 -5.57144 77.6024 -109.687 -219.196 68.6393 -54.0834 -134.217 69.5599 PRESSAVG: 4916200 19.6705 -24.527 -11.0494 -24.5271 -15.6825 -8.46576 -11.0494 -8.46583 -16.8664 GPRESSAVG: 4916200 21.7061 -23.2796 -8.37382 -23.9756 -16.7632 -8.16416 -11.5039 -8.89766 -17.4285 TIMING: 4916200 CPU: 15838, 0.00314695/step Wall: 15838, 0.00314695/step, 0.073254 hours remaining, 233.601562 MB of memory in use. ENERGY: 4916200 3987.4308 20562.4940 14484.5511 225.4430 -203750.7586 2927.3099 0.0000 0.0000 51765.3091 -109798.2207 297.4959 -161563.5298 -109436.8297 298.8946 -169.4428 -141.9640 760454.6521 -4.2928 -4.1619 LDB: ============= START OF LOAD BALANCING ============== 15850.4 LDB: ============== END OF LOAD BALANCING =============== 15850.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15850.4 LDB: ============= START OF LOAD BALANCING ============== 15850.7 LDB: Largest compute 7075 load 0.032935 is 16.8% of average load 0.195593 LDB: Average compute 0.004382 is 2.2% of average load 0.195593 LDB: TIME 15850.7 LOAD: AVG 0.195593 MAX 0.211336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 15850.7 LOAD: AVG 0.195593 MAX 0.211336 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 15850.7 LOAD: AVG 0.195593 MAX 0.211336 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 15850.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15850.7 PRESSURE: 4916400 -295.512 -16.3536 -124.377 -16.353 -103.782 -55.5895 -124.377 -55.5897 -202.386 GPRESSURE: 4916400 -238.977 -51.4518 -15.2623 -98.2939 -87.7225 -77.7252 -130.911 -73.9468 -216.169 PRESSAVG: 4916400 -16.1064 15.5461 -14.3058 15.5461 40.3338 49.5346 -14.3058 49.5345 6.76437 GPRESSAVG: 4916400 -17.5083 13.1856 -13.6898 15.5581 42.1791 49.0508 -15.7123 49.1807 6.26595 TIMING: 4916400 CPU: 15838.6, 0.0032257/step Wall: 15838.6, 0.0032257/step, 0.0749079 hours remaining, 235.324219 MB of memory in use. ENERGY: 4916400 4055.4248 20558.6933 14441.3362 258.9742 -203281.6629 2456.7009 0.0000 0.0000 51980.6890 -109529.8445 298.7337 -161510.5335 -109168.0685 298.8046 -200.5599 -180.9559 760957.1313 10.3306 10.3122 PRESSURE: 4916600 6.79724 -86.2233 165.037 -86.2236 293.136 -43.6973 165.037 -43.6979 99.8864 GPRESSURE: 4916600 113.61 -111.576 135.452 -115.808 252.122 -105.431 107.662 58.2427 124.114 PRESSAVG: 4916600 2.4813 -41.8266 1.23846 -41.8266 3.44852 45.0652 1.23848 45.0652 11.5707 GPRESSAVG: 4916600 2.43905 -39.1792 -0.0302389 -40.9574 2.68848 46.1654 1.61253 45.865 12.6418 TIMING: 4916600 CPU: 15839.3, 0.00315062/step Wall: 15839.3, 0.00315062/step, 0.0729893 hours remaining, 235.324219 MB of memory in use. ENERGY: 4916600 3965.0893 20552.7932 14451.2624 243.1385 -203704.9051 2539.4412 0.0000 0.0000 52191.5976 -109761.5828 299.9458 -161953.1805 -109392.2090 298.8149 133.2734 163.2818 759481.8175 5.8335 5.9231 PRESSURE: 4916800 224.365 81.9985 217.597 81.9983 65.408 49.7182 217.597 49.7167 -3.61223 GPRESSURE: 4916800 319.483 187.636 213.641 113.801 79.6899 2.77297 257.28 -39.7336 -32.0905 PRESSAVG: 4916800 9.89196 -70.5576 16.2313 -70.5575 -9.05269 36.1016 16.2313 36.1017 -4.17955 GPRESSAVG: 4916800 10.5227 -71.6353 16.6254 -69.5637 -8.88945 34.4975 17.6896 36.0206 -5.20466 TIMING: 4916800 CPU: 15839.9, 0.00313101/step Wall: 15839.9, 0.00313101/step, 0.0723612 hours remaining, 235.406250 MB of memory in use. ENERGY: 4916800 4013.1733 20577.3610 14505.3804 229.9436 -203740.3893 2570.6182 0.0000 0.0000 52002.9030 -109841.0096 298.8614 -161843.9127 -109478.7384 299.0741 95.3870 122.3607 761268.1974 -1.1134 -1.1905 PRESSURE: 4917000 286.252 -170.353 -44.7124 -170.354 287.238 83.2678 -44.7128 83.2685 110.753 GPRESSURE: 4917000 296.404 -183.337 -70.8158 -139.487 320.704 116.482 81.0274 43.4329 152.283 PRESSAVG: 4917000 -3.41993 -67.3799 10.0909 -67.38 17.0357 -5.32032 10.0909 -5.32024 -6.97312 GPRESSAVG: 4917000 -3.47849 -66.4731 10.7498 -68.3943 17.1138 -5.56997 9.73739 -6.03492 -6.542 TIMING: 4917000 CPU: 15840.5, 0.00311539/step Wall: 15840.5, 0.00311539/step, 0.071827 hours remaining, 235.406250 MB of memory in use. ENERGY: 4917000 3908.8205 20365.6215 14435.0657 241.6148 -203940.2609 3165.5423 0.0000 0.0000 51972.8020 -109850.7939 298.6884 -161823.5960 -109485.2399 298.7217 228.0808 256.4636 762334.5803 2.2142 2.3644 PRESSURE: 4917200 -131.89 153.028 109.123 153.029 -239.653 -91.0827 109.123 -91.0826 108.676 GPRESSURE: 4917200 -39.4304 146.879 146.76 148.249 -269.725 -85.2908 64.6911 -74.7553 111.04 PRESSAVG: 4917200 21.7827 -95.2884 83.3974 -95.2883 2.04621 -38.0231 83.3974 -38.0231 -3.62868 GPRESSAVG: 4917200 21.2152 -94.4212 83.0677 -96.31 3.18746 -37.1645 81.5471 -37.7582 -4.05019 TIMING: 4917200 CPU: 15841.1, 0.00312102/step Wall: 15841.1, 0.00312102/step, 0.0717835 hours remaining, 235.605469 MB of memory in use. ENERGY: 4917200 4050.5713 20375.3348 14408.0009 246.4244 -203470.4729 2714.2875 0.0000 0.0000 51834.5631 -109841.2910 297.8939 -161675.8541 -109480.8863 298.6749 -87.6225 -66.0383 761601.7616 6.7334 6.7842 PRESSURE: 4917400 -179.888 -173.799 141.407 -173.799 -100.177 86.5344 141.406 86.5358 115.332 GPRESSURE: 4917400 -132.18 -168.731 60.3871 -118.543 6.36564 63.4802 88.2037 114.583 49.8269 PRESSAVG: 4917400 20.4744 -14.5758 22.3655 -14.5758 -24.8971 -2.77355 22.3655 -2.77356 11.5854 GPRESSAVG: 4917400 20.345 -14.2568 24.6866 -13.0402 -24.9675 -2.42395 21.0211 -4.43514 11.4164 TIMING: 4917400 CPU: 15841.8, 0.0031282/step Wall: 15841.8, 0.0031282/step, 0.0717748 hours remaining, 235.605469 MB of memory in use. ENERGY: 4917400 3996.6133 20462.3971 14471.8762 258.4793 -203339.5071 2513.2377 0.0000 0.0000 51996.6297 -109640.2740 298.8253 -161636.9037 -109283.5276 298.6589 -54.9108 -25.3293 760245.1875 2.3876 2.2646 PRESSURE: 4917600 -349.378 63.5659 100.419 63.5661 -445.504 214.154 100.42 214.155 181.333 GPRESSURE: 4917600 -354.509 29.7638 17.0823 64.2647 -368.452 281.542 50.0558 118.235 203.203 PRESSAVG: 4917600 58.7708 -47.2592 -32.1903 -47.2591 -68.5691 -1.81979 -32.1902 -1.81978 -6.5083 GPRESSAVG: 4917600 59.4238 -45.942 -35.143 -46.7336 -68.7913 -3.63609 -30.6448 0.939193 -6.39272 TIMING: 4917600 CPU: 15842.4, 0.00312019/step Wall: 15842.4, 0.00312019/step, 0.0714178 hours remaining, 235.605469 MB of memory in use. ENERGY: 4917600 4003.6396 20478.8766 14494.6500 241.1613 -203007.1475 2239.6719 0.0000 0.0000 52233.1775 -109315.9706 300.1848 -161549.1481 -108952.8135 299.8867 -204.5164 -173.2525 762691.9276 -5.4355 -5.2534 PRESSURE: 4917800 19.9257 -144.051 216.5 -144.051 62.5051 -75.652 216.499 -75.6519 -87.8492 GPRESSURE: 4917800 94.2523 -206.595 212.594 -148.086 139.215 -74.9813 277.062 20.8672 -146.716 PRESSAVG: 4917800 0.75309 5.95434 -17.1388 5.95434 26.1583 -14.0794 -17.1388 -14.0794 -9.58605 GPRESSAVG: 4917800 1.23844 3.01896 -16.3769 4.48074 25.5309 -13.3105 -16.3709 -14.1777 -9.46467 TIMING: 4917800 CPU: 15843, 0.00312575/step Wall: 15843, 0.00312575/step, 0.0713714 hours remaining, 235.605469 MB of memory in use. ENERGY: 4917800 4021.0249 20529.9681 14345.6278 248.5401 -203086.5533 2362.7140 0.0000 0.0000 52224.2135 -109354.4648 300.1333 -161578.6784 -108996.2204 300.1763 -1.8061 28.9171 760404.0067 5.7751 5.7682 PRESSURE: 4918000 -272.574 35.5737 -40.6955 35.5731 -216.269 61.5407 -40.6953 61.541 -299.315 GPRESSURE: 4918000 -299.067 123.354 -48.2817 88.3441 -109.492 34.8213 -18.3605 12.7054 -306.522 PRESSAVG: 4918000 44.3226 -5.66919 -33.117 -5.66913 -40.702 -18.2862 -33.117 -18.2862 -0.214611 GPRESSAVG: 4918000 43.4639 -4.86337 -33.0953 -4.32741 -39.9963 -19.7268 -33.1413 -19.365 -0.26995 TIMING: 4918000 CPU: 15843.6, 0.00312344/step Wall: 15843.6, 0.00312344/step, 0.071145 hours remaining, 235.605469 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: 4918000 3983.4300 20664.7216 14515.3466 264.7957 -202918.6707 2130.7244 0.0000 0.0000 52078.4818 -109281.1706 299.2958 -161359.6524 -108912.0149 299.7763 -262.7192 -238.3603 759729.2196 1.1353 1.0659 PRESSURE: 4918200 108.744 -39.4848 132.894 -39.4854 -116.04 85.9891 132.894 85.989 5.68154 GPRESSURE: 4918200 46.2955 60.7458 125.379 5.71685 43.2819 61.7622 92.1366 195.743 2.62382 PRESSAVG: 4918200 14.0068 4.6507 -28.6009 4.65066 6.16799 -21.0745 -28.6009 -21.0746 6.13122 GPRESSAVG: 4918200 13.4624 3.06097 -30.0749 5.25122 6.5188 -19.374 -27.9208 -21.4255 6.37057 TIMING: 4918200 CPU: 15844.3, 0.00313829/step Wall: 15844.3, 0.00313829/step, 0.0713088 hours remaining, 235.605469 MB of memory in use. ENERGY: 4918200 4046.0307 20481.4566 14484.0269 250.7470 -203434.4744 2684.4965 0.0000 0.0000 52116.9356 -109370.7812 299.5167 -161487.7168 -109011.8934 300.0520 -0.5381 30.7337 760274.5033 8.7687 8.7839 PRESSURE: 4918400 245.196 334.966 37.4576 334.967 171.491 -172.756 37.4573 -172.755 -79.6122 GPRESSURE: 4918400 274.723 437.217 94.9113 301.944 189.132 -131.053 81.2811 -277.154 -30.2619 PRESSAVG: 4918400 60.7863 43.3599 0.999969 43.3599 -19.4527 -40.1983 0.999984 -40.1982 -11.6304 GPRESSAVG: 4918400 60.9391 45.1158 2.63883 42.0554 -19.5569 -39.2619 -1.00413 -40.5273 -12.0968 TIMING: 4918400 CPU: 15844.9, 0.00313662/step Wall: 15844.9, 0.00313662/step, 0.0710968 hours remaining, 235.605469 MB of memory in use. ENERGY: 4918400 3883.1220 20633.8265 14450.0671 256.6260 -203689.0968 2656.3844 0.0000 0.0000 52143.6267 -109665.4441 299.6701 -161809.0709 -109314.4062 299.3955 112.3583 144.5312 758984.8324 9.9011 9.7618 PRESSURE: 4918600 23.65 -67.4112 -370.933 -67.4118 282.265 38.362 -370.933 38.3614 105.774 GPRESSURE: 4918600 -6.71178 -31.8183 -421.087 -19.8797 352.791 56.3657 -126.211 -27.5068 168.816 PRESSAVG: 4918600 -9.98613 -46.8854 -0.482447 -46.8853 21.2213 -2.14532 -0.482493 -2.14536 3.3653 GPRESSAVG: 4918600 -9.9767 -45.3891 -1.33137 -46.283 20.7726 -4.11458 -1.33456 -2.31989 4.43809 TIMING: 4918600 CPU: 15845.5, 0.00314651/step Wall: 15845.5, 0.00314651/step, 0.0711461 hours remaining, 235.605469 MB of memory in use. ENERGY: 4918600 3978.9060 20406.0353 14459.8335 248.3021 -203484.9165 2655.2206 0.0000 0.0000 52237.7549 -109498.8641 300.2111 -161736.6189 -109141.2343 299.3918 137.2298 171.6318 758922.5304 4.8668 5.0780 PRESSURE: 4918800 -122.163 79.2628 175.985 79.2626 -129.767 28.273 175.985 28.2729 -529.378 GPRESSURE: 4918800 -51.1224 91.5745 223.741 164.979 -137.051 -8.46187 143.345 107.306 -528.159 PRESSAVG: 4918800 6.44531 -5.25732 -43.156 -5.25735 -29.8158 -46.887 -43.156 -46.887 -1.69945 GPRESSAVG: 4918800 7.69152 -7.59873 -41.4039 -4.94765 -30.1159 -45.8286 -42.3673 -46.7123 -2.54304 TIMING: 4918800 CPU: 15846.2, 0.00315003/step Wall: 15846.2, 0.00315003/step, 0.0710507 hours remaining, 235.605469 MB of memory in use. ENERGY: 4918800 4033.5519 20579.8494 14454.5415 242.4033 -202991.1182 2200.4189 0.0000 0.0000 52057.8046 -109422.5486 299.1769 -161480.3532 -109065.1803 299.7676 -260.4361 -238.7773 760195.8006 -8.3567 -8.3225 PRESSURE: 4919000 145.845 107.304 43.0213 107.303 99.9636 -121.265 43.0214 -121.265 88.9735 GPRESSURE: 4919000 188.15 176.048 8.34743 120.187 92.1978 -225.294 -34.7356 -143.645 120.444 PRESSAVG: 4919000 32.1747 26.2752 6.04106 26.2752 -36.0127 41.097 6.04108 41.097 2.422 GPRESSAVG: 4919000 31.437 27.7221 4.97401 24.9507 -37.0521 39.4663 5.23035 41.3198 4.26505 TIMING: 4919000 CPU: 15846.8, 0.00313792/step Wall: 15846.8, 0.00313792/step, 0.0706033 hours remaining, 235.605469 MB of memory in use. ENERGY: 4919000 3990.8105 20716.6291 14374.1137 216.4451 -203646.7095 2602.8660 0.0000 0.0000 52049.3046 -109696.5404 299.1281 -161745.8451 -109340.1511 299.8600 111.5942 133.5972 760900.2485 -0.4720 -0.4500 PRESSURE: 4919200 -6.64669 8.19718 340.094 8.19766 330.813 -72.4935 340.093 -72.495 -48.4691 GPRESSURE: 4919200 4.16549 49.2479 271.132 0.370606 346.157 -34.1085 348.202 -82.3905 7.80918 PRESSAVG: 4919200 -51.6742 -18.2274 53.3459 -18.2274 22.5865 7.3138 53.3459 7.31382 8.90679 GPRESSAVG: 4919200 -51.1389 -19.8153 52.4759 -17.8911 23.8796 8.83894 52.4734 7.55665 6.65333 TIMING: 4919200 CPU: 15847.4, 0.00315616/step Wall: 15847.4, 0.00315616/step, 0.0708382 hours remaining, 235.605469 MB of memory in use. ENERGY: 4919200 3987.9343 20670.0699 14378.4701 244.5695 -203240.4951 2409.8381 0.0000 0.0000 52042.5583 -109507.0549 299.0893 -161549.6133 -109137.5041 299.0814 91.8990 119.3773 761186.3005 -6.7270 -6.8687 PRESSURE: 4919400 316.998 118.481 92.2527 118.482 -35.8374 65.5811 92.2517 65.5812 -123.182 GPRESSURE: 4919400 323.576 109.707 95.8206 151.102 62.8183 111.945 100.423 106.385 -120.713 PRESSAVG: 4919400 -8.03542 -49.356 -9.5484 -49.356 2.92285 22.5536 -9.54841 22.5537 -4.87029 GPRESSAVG: 4919400 -6.73649 -48.0083 -9.28674 -48.7706 3.31589 21.5039 -8.56935 20.8357 -5.67912 TIMING: 4919400 CPU: 15848, 0.00314056/step Wall: 15848, 0.00314056/step, 0.0703135 hours remaining, 235.605469 MB of memory in use. ENERGY: 4919400 3998.3413 20598.8588 14368.8248 255.7278 -203873.7278 2750.4508 0.0000 0.0000 52229.2636 -109672.2608 300.1623 -161901.5244 -109306.7372 299.3871 52.6594 88.5603 760311.5296 -3.3276 -3.0332 PRESSURE: 4919600 -173.699 3.46249 -355.64 3.46233 149.858 -215.082 -355.64 -215.082 -145.143 GPRESSURE: 4919600 -187.158 53.3284 -288.988 -80.978 153.326 -169.235 -159.067 -156.55 -66.8717 PRESSAVG: 4919600 50.1948 33.3231 -11.9355 33.3232 -55.0862 -2.98422 -11.9355 -2.98421 13.2611 GPRESSAVG: 4919600 48.6621 34.5262 -13.1814 31.5207 -56.1789 -2.02059 -9.79269 -3.09782 15.6924 TIMING: 4919600 CPU: 15848.7, 0.00316272/step Wall: 15848.7, 0.00316272/step, 0.0706341 hours remaining, 235.605469 MB of memory in use. ENERGY: 4919600 4039.6881 20533.1145 14425.8216 256.2149 -203074.7412 2133.9589 0.0000 0.0000 51884.3571 -109801.5860 298.1801 -161685.9431 -109436.8149 298.8174 -56.3277 -33.5679 759973.9766 2.7899 2.7252 PRESSURE: 4919800 -78.4672 57.421 -50.6889 57.4219 -56.7593 157.404 -50.6899 157.404 -152.185 GPRESSURE: 4919800 -4.50535 92.6608 -129.738 109.632 -36.2151 179.619 -10.0021 101.503 -140.235 PRESSAVG: 4919800 48.2133 -55.6871 31.5993 -55.6872 -64.8129 -41.5537 31.5994 -41.5538 1.09891 GPRESSAVG: 4919800 48.3264 -55.8029 32.6029 -55.2871 -64.7596 -42.6617 30.9954 -39.9634 0.595425 TIMING: 4919800 CPU: 15849.3, 0.00313935/step Wall: 15849.3, 0.00313935/step, 0.0699377 hours remaining, 235.605469 MB of memory in use. ENERGY: 4919800 4029.3480 20574.4223 14419.2156 257.0675 -203720.5433 2631.7403 0.0000 0.0000 51953.4312 -109855.3186 298.5771 -161808.7497 -109492.2504 299.1879 -95.8037 -60.3184 759111.7145 -5.1669 -5.2793 PRESSURE: 4920000 37.1716 30.2158 -1.49924 30.2154 -314.448 245.566 -1.49965 245.565 -268.759 GPRESSURE: 4920000 -1.76407 -102.644 -26.604 81.8979 -242 220.738 56.1806 110.465 -220.404 PRESSAVG: 4920000 -14.1505 -18.5773 3.39906 -18.5773 12.4396 -31.5882 3.39902 -31.5882 6.06279 GPRESSAVG: 4920000 -13.0444 -21.4034 3.35023 -14.9782 12.4016 -30.158 1.9694 -32.614 4.67625 TIMING: 4920000 CPU: 15849.9, 0.0031621/step Wall: 15849.9, 0.0031621/step, 0.0702688 hours remaining, 235.605469 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: 4920000 4009.0829 20595.5930 14492.3227 244.1739 -203404.2550 2316.1030 0.0000 0.0000 51753.1526 -109993.8269 297.4261 -161746.9796 -109637.5820 299.1835 -182.0120 -154.7227 759484.4131 1.4506 1.3445 PRESSURE: 4920200 74.021 204.267 135.892 204.267 -86.3283 -70.1421 135.891 -70.1417 55.9412 GPRESSURE: 4920200 172.895 187.06 154.747 165.54 21.897 -0.950102 118.124 -23.5874 -59.7405 PRESSAVG: 4920200 34.9047 -11.4947 -20.2047 -11.4947 -25.5192 17.4409 -20.2047 17.4409 -0.361801 GPRESSAVG: 4920200 33.7366 -7.24355 -18.5553 -13.4909 -25.1498 15.6731 -20.2397 17.6379 -0.634276 TIMING: 4920200 CPU: 15850.6, 0.0031431/step Wall: 15850.6, 0.0031431/step, 0.0696719 hours remaining, 235.605469 MB of memory in use. ENERGY: 4920200 4012.7251 20448.5936 14327.3685 262.4647 -204250.1150 2980.0566 0.0000 0.0000 52055.9750 -110162.9316 299.1664 -162218.9066 -109803.4590 298.2015 14.5446 45.0173 758662.8966 3.0079 2.6508 LDB: ============= START OF LOAD BALANCING ============== 15863 LDB: ============== END OF LOAD BALANCING =============== 15863 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15863 LDB: ============= START OF LOAD BALANCING ============== 15863.3 LDB: Largest compute 7075 load 0.033047 is 16.9% of average load 0.195722 LDB: Average compute 0.004372 is 2.2% of average load 0.195722 LDB: TIME 15863.3 LOAD: AVG 0.195722 MAX 0.214167 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 15863.3 LOAD: AVG 0.195722 MAX 0.214167 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.445 MB LDB: TIME 15863.3 LOAD: AVG 0.195722 MAX 0.214167 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.445 MB LDB: ============== END OF LOAD BALANCING =============== 15863.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15863.3 PRESSURE: 4920400 -91.5061 -84.3138 -42.1572 -84.3138 -117.214 -203.131 -42.158 -203.131 372.574 GPRESSURE: 4920400 -128.305 -101.273 -103.481 -38.81 -66.2997 -201.038 -87.3498 -191.906 472.483 PRESSAVG: 4920400 -0.213067 8.33272 55.727 8.33275 36.5283 57.5825 55.727 57.5824 17.6196 GPRESSAVG: 4920400 -0.146701 5.69454 53.1572 9.57753 37.5429 59.9507 58.1602 55.8274 16.9477 TIMING: 4920400 CPU: 15851.2, 0.00322096/step Wall: 15851.2, 0.00322096/step, 0.0712189 hours remaining, 236.027344 MB of memory in use. ENERGY: 4920400 3982.7548 20596.6507 14378.6775 234.1406 -203727.0569 2432.9112 0.0000 0.0000 52145.2756 -109956.6464 299.6796 -162101.9220 -109588.9982 298.9492 54.6182 92.6263 759787.0826 17.9783 18.1146 PRESSURE: 4920600 139.854 -210.766 -24.2829 -210.768 -69.6102 -58.9709 -24.2836 -58.9715 125.254 GPRESSURE: 4920600 131.879 -117.126 -31.1275 -201.074 -2.26957 -84.9649 -28.3398 23.8192 146.327 PRESSAVG: 4920600 1.29869 -18.5008 30.6289 -18.5008 -52.9291 28.4999 30.6289 28.5 9.10316 GPRESSAVG: 4920600 0.322596 -18.8405 32.0401 -18.5982 -52.5862 26.6416 28.3974 30.1359 9.8431 TIMING: 4920600 CPU: 15851.8, 0.00312561/step Wall: 15851.8, 0.00312561/step, 0.0689371 hours remaining, 236.167969 MB of memory in use. ENERGY: 4920600 3977.7242 20579.1287 14365.6474 240.1251 -203773.4575 2722.9652 0.0000 0.0000 52024.6795 -109863.1873 298.9865 -161887.8669 -109495.4150 298.0897 65.1656 91.9789 759459.7609 -14.1757 -14.1402 PRESSURE: 4920800 9.1594 -135.231 101.589 -135.232 16.2001 -128.479 101.589 -128.48 208.196 GPRESSURE: 4920800 51.8425 -167.902 104.684 -83.7895 39.4438 -141.397 56.3498 -30.2289 236.753 PRESSAVG: 4920800 60.7135 -38.0127 -13.5142 -38.0128 -6.95114 12.2456 -13.5143 12.2457 4.58574 GPRESSAVG: 4920800 61.8191 -37.98 -13.9871 -40.7244 -7.75317 13.2146 -10.3546 12.4306 4.39642 TIMING: 4920800 CPU: 15852.5, 0.00312505/step Wall: 15852.5, 0.00312505/step, 0.0687512 hours remaining, 236.238281 MB of memory in use. ENERGY: 4920800 3916.5647 20575.8840 14396.2106 246.9413 -203628.4496 2728.2883 0.0000 0.0000 51968.0074 -109796.5532 298.6609 -161764.5606 -109434.1981 299.1872 77.8517 109.3464 760031.3849 19.4494 19.4874 PRESSURE: 4921000 -9.93224 -214.651 -88.7435 -214.651 8.54899 75.186 -88.744 75.1854 232.488 GPRESSURE: 4921000 -38.3025 -204.784 -102.158 -340.728 100.197 85.0349 27.04 57.0192 256.871 PRESSAVG: 4921000 18.9469 22.926 -32.519 22.926 -10.5448 14.28 -32.519 14.2801 2.49682 GPRESSAVG: 4921000 18.3303 25.7592 -33.8949 22.7027 -9.46615 13.5546 -35.0279 14.6573 1.8767 TIMING: 4921000 CPU: 15853.1, 0.00312645/step Wall: 15853.1, 0.00312645/step, 0.0686083 hours remaining, 236.238281 MB of memory in use. ENERGY: 4921000 3917.6502 20586.1118 14476.9111 232.0896 -204161.9491 2982.1603 0.0000 0.0000 52166.0615 -109800.9645 299.7991 -161967.0261 -109439.5846 299.1515 77.0349 106.2550 758952.1102 3.6330 3.5803 PRESSURE: 4921200 446.956 -179.453 -11.3005 -179.453 4.64604 -107.848 -11.2996 -107.846 163.402 GPRESSURE: 4921200 411.161 -144.515 -6.50703 -160.17 69.0567 -144.549 -116.362 -31.4582 243.984 PRESSAVG: 4921200 50.9865 10.4224 -45.2182 10.4223 -39.4321 9.85349 -45.2182 9.85343 -25.1552 GPRESSAVG: 4921200 51.1106 6.14725 -43.2079 12.6847 -40.6947 8.31193 -46.0233 10.4163 -24.3417 TIMING: 4921200 CPU: 15853.7, 0.0031485/step Wall: 15853.7, 0.0031485/step, 0.0689171 hours remaining, 236.238281 MB of memory in use. ENERGY: 4921200 3942.1362 20400.8683 14346.8986 240.4352 -203108.3041 2378.8460 0.0000 0.0000 52145.3228 -109653.7971 299.6799 -161799.1199 -109286.1407 299.2885 205.0014 241.4005 760947.5120 -4.5336 -4.6419 PRESSURE: 4921400 -33.4427 143.437 -111.899 143.436 396.654 198.843 -111.9 198.843 99.6829 GPRESSURE: 4921400 -17.075 113.128 -131.318 130.023 438.852 141.633 -142.531 130.953 124.266 PRESSAVG: 4921400 -32.379 -8.63164 -95.4448 -8.63161 22.8436 18.2054 -95.4448 18.2054 -6.61122 GPRESSAVG: 4921400 -32.4768 -6.78658 -95.9522 -9.77362 23.4433 19.7947 -96.0596 16.2891 -7.03808 TIMING: 4921400 CPU: 15854.3, 0.0031351/step Wall: 15854.3, 0.0031351/step, 0.0684497 hours remaining, 236.238281 MB of memory in use. ENERGY: 4921400 3963.9837 20482.1311 14420.3845 242.9004 -203442.7721 2532.0012 0.0000 0.0000 52290.5972 -109510.7741 300.5148 -161801.3712 -109143.0324 299.3773 154.2980 182.0142 760058.7778 -5.3822 -5.3572 PRESSURE: 4921600 -293.061 10.3695 -5.73154 10.3682 170.992 -3.37416 -5.73038 -3.37353 522.332 GPRESSURE: 4921600 -189.583 43.1457 -43.2635 1.4809 219.523 48.9426 -19.5201 23.9358 463.755 PRESSAVG: 4921600 -48.9094 -14.6234 -20.64 -14.6233 46.6143 72.9241 -20.64 72.9241 -7.65264 GPRESSAVG: 4921600 -48.7058 -15.975 -20.7932 -15.0365 46.1494 73.8308 -19.3342 74.214 -7.73316 TIMING: 4921600 CPU: 15855, 0.00313902/step Wall: 15855, 0.00313902/step, 0.0683608 hours remaining, 236.437500 MB of memory in use. ENERGY: 4921600 3866.7026 20589.7161 14378.4303 236.0615 -203127.6017 2352.5139 0.0000 0.0000 52338.0701 -109366.1073 300.7876 -161704.1774 -108997.6334 299.8431 133.4212 164.5654 760861.0830 -3.3159 -3.4298 PRESSURE: 4921800 -129.635 170.335 -80.86 170.335 3.34815 155.341 -80.8603 155.342 332.313 GPRESSURE: 4921800 -139.15 120.985 -105.373 109.225 67.6681 216.451 -58.9839 78.3886 345.948 PRESSAVG: 4921800 -37.5959 -8.59444 5.53886 -8.59437 44.7824 -6.64635 5.53881 -6.64631 -4.28824 GPRESSAVG: 4921800 -37.2094 -8.98328 5.95304 -6.31605 43.6534 -8.74305 2.82757 -5.9448 -4.15279 TIMING: 4921800 CPU: 15855.6, 0.00314256/step Wall: 15855.6, 0.00314256/step, 0.0682634 hours remaining, 236.437500 MB of memory in use. ENERGY: 4921800 3987.7040 20559.5203 14441.1016 274.8523 -202895.4393 2064.5235 0.0000 0.0000 52238.9878 -109328.7498 300.2182 -161567.7376 -108966.2370 300.2860 68.6755 91.4887 759821.2723 0.9661 0.7637 PRESSURE: 4922000 -348.216 88.0177 -137.952 88.0185 6.19301 100.446 -137.953 100.445 -313.744 GPRESSURE: 4922000 -305.871 -49.2577 -101.421 145.813 98.9592 103.274 -107.866 102.435 -342.52 PRESSAVG: 4922000 4.18381 0.906611 -58.6498 0.906653 1.95277 0.668581 -58.6499 0.66849 10.1979 GPRESSAVG: 4922000 4.66136 1.82918 -58.9204 -1.01957 2.56797 1.09907 -54.885 -0.518008 9.69222 TIMING: 4922000 CPU: 15856.2, 0.003163/step Wall: 15856.2, 0.003163/step, 0.0685317 hours remaining, 236.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4922000 4012.1518 20527.8741 14411.8126 228.6813 -203549.7168 2616.0057 0.0000 0.0000 52226.4211 -109526.7701 300.1460 -161753.1913 -109164.9449 299.4550 -218.5891 -183.1442 760617.9250 5.4448 5.6405 PRESSURE: 4922200 -99.1714 -69.8839 -20.1113 -69.8832 -49.381 -183.623 -20.1115 -183.623 282.937 GPRESSURE: 4922200 -20.2731 -38.4624 -53.4285 -112.53 5.11976 -209.144 37.8154 -145.787 229.395 PRESSAVG: 4922200 34.3073 -22.4525 -3.10422 -22.4526 -29.2455 -3.4391 -3.10416 -3.43915 -5.30931 GPRESSAVG: 4922200 34.2153 -21.2288 -4.07164 -22.973 -28.9192 -4.40765 -4.40047 -2.44726 -5.66112 TIMING: 4922200 CPU: 15856.9, 0.00314585/step Wall: 15856.9, 0.00314585/step, 0.0679852 hours remaining, 236.437500 MB of memory in use. ENERGY: 4922200 4065.7642 20585.7807 14386.7870 252.5497 -203561.6952 2654.3396 0.0000 0.0000 52122.8946 -109493.5794 299.5510 -161616.4740 -109152.0799 299.4547 44.7948 71.4139 760428.3756 -0.0825 -0.1216 PRESSURE: 4922400 -188.357 36.9871 74.003 36.9875 292.525 162.523 74.0035 162.522 164.449 GPRESSURE: 4922400 -169.472 -18.609 81.6654 -1.09731 278.592 172.138 118.383 66.3832 243.805 PRESSAVG: 4922400 16.9718 -15.2434 -12.6575 -15.2434 -6.22142 -11.7701 -12.6575 -11.77 5.09082 GPRESSAVG: 4922400 16.4065 -15.5594 -12.9001 -15.3747 -6.63157 -10.6462 -10.2747 -13.2926 6.06469 TIMING: 4922400 CPU: 15857.5, 0.00317001/step Wall: 15857.5, 0.00317001/step, 0.0683313 hours remaining, 236.437500 MB of memory in use. ENERGY: 4922400 3968.2974 20451.5392 14360.1740 252.6112 -203275.2564 2298.6609 0.0000 0.0000 52040.2345 -109903.7393 299.0759 -161943.9737 -109534.7132 299.0897 89.5391 117.6417 759699.6721 5.2804 5.2799 PRESSURE: 4922600 342.463 15.2157 -42.8478 15.2153 -18.402 -255.836 -42.8474 -255.836 141.566 GPRESSURE: 4922600 345.017 99.2027 -19.0789 -1.82919 103.435 -114.148 -129.33 -231.398 96.7787 PRESSAVG: 4922600 1.91938 21.9842 -9.78098 21.9843 -21.7515 -9.52996 -9.78098 -9.52999 0.808083 GPRESSAVG: 4922600 0.558508 21.9104 -8.09984 24.9444 -22.2878 -8.93274 -9.9353 -8.87679 2.66463 TIMING: 4922600 CPU: 15858.1, 0.00313384/step Wall: 15858.1, 0.00313384/step, 0.0673776 hours remaining, 236.640625 MB of memory in use. ENERGY: 4922600 3860.0394 20424.2578 14359.3843 227.0423 -203590.2653 2583.8909 0.0000 0.0000 52091.0514 -110044.5992 299.3680 -162135.6506 -109671.6442 298.6278 155.2090 181.7435 759818.7513 -6.3414 -6.3549 PRESSURE: 4922800 139.248 197.329 148.198 197.329 88.2299 71.9873 148.197 71.986 111.029 GPRESSURE: 4922800 242.31 253.251 133.336 109.322 121.177 72.7516 54.4603 28.0093 76.0133 PRESSAVG: 4922800 -8.07591 8.54553 -3.39638 8.54552 -24.7985 62.71 -3.39635 62.71 25.095 GPRESSAVG: 4922800 -6.18872 7.54536 -4.49933 4.9779 -23.7879 61.3918 -7.12659 63.0947 22.5898 TIMING: 4922800 CPU: 15858.7, 0.0031202/step Wall: 15858.7, 0.0031202/step, 0.066911 hours remaining, 236.640625 MB of memory in use. ENERGY: 4922800 3973.4202 20269.3202 14419.7667 259.8767 -203773.7841 2782.0080 0.0000 0.0000 52117.1869 -109952.2054 299.5182 -162069.3923 -109580.8022 299.0303 112.8357 146.5002 760125.4254 -2.5932 -2.4623 PRESSURE: 4923000 22.2133 -104.271 -0.980206 -104.272 58.4155 67.4956 -0.979951 67.4956 248.62 GPRESSURE: 4923000 -47.6325 -52.1486 -93.8435 26.8838 78.2312 23.6704 116.098 157.953 374.672 PRESSAVG: 4923000 62.0441 -33.1195 -1.53734 -33.1194 -45.0805 49.0046 -1.53738 49.0046 -4.8703 GPRESSAVG: 4923000 62.6184 -33.1975 -0.867317 -31.4074 -45.563 49.6139 1.81609 47.716 -5.05598 TIMING: 4923000 CPU: 15859.4, 0.00311416/step Wall: 15859.4, 0.00311416/step, 0.0666085 hours remaining, 236.640625 MB of memory in use. ENERGY: 4923000 3956.6470 20433.3030 14486.3271 220.6696 -203981.6143 2675.5479 0.0000 0.0000 52034.7992 -110174.3205 299.0447 -162209.1197 -109820.1996 298.7310 109.7497 135.0903 759041.8332 4.0311 3.9998 PRESSURE: 4923200 98.4243 -51.8813 -58.0569 -51.8816 -364.766 -31.9306 -58.0562 -31.9306 -195.54 GPRESSURE: 4923200 206.57 -7.62055 -161.175 98.4553 -344.914 -12.1591 -48.0063 -1.19779 -253.559 PRESSAVG: 4923200 19.5607 13.7889 8.02747 13.7889 -73.2654 39.8222 8.02746 39.8222 5.38329 GPRESSAVG: 4923200 19.3227 15.2166 5.0765 13.389 -73.604 39.9953 10.0586 40.8917 6.18796 TIMING: 4923200 CPU: 15860, 0.0031318/step Wall: 15860, 0.0031318/step, 0.0668118 hours remaining, 236.640625 MB of memory in use. ENERGY: 4923200 4056.6819 20452.0469 14400.8607 245.6263 -203578.8054 2398.5343 0.0000 0.0000 51993.3467 -110031.7085 298.8065 -162025.0552 -109673.0634 298.5050 -153.9605 -130.6342 760483.3637 -16.1072 -16.0311 PRESSURE: 4923400 -152.671 -66.3558 39.9263 -66.3559 -45.308 133.775 39.9261 133.774 98.7741 GPRESSURE: 4923400 -92.6989 -69.7372 119.111 -73.6143 17.7831 58.7874 -61.4684 251.333 69.2015 PRESSAVG: 4923400 11.7723 39.9665 -37.1028 39.9665 -7.91047 29.2783 -37.1029 29.2783 47.2463 GPRESSAVG: 4923400 13.0086 38.1718 -35.0361 38.9037 -7.8956 28.3161 -40.1866 28.4459 46.4902 TIMING: 4923400 CPU: 15860.6, 0.00314025/step Wall: 15860.6, 0.00314025/step, 0.0668175 hours remaining, 236.640625 MB of memory in use. ENERGY: 4923400 4003.7360 20516.3499 14436.3679 247.6074 -203624.5906 2453.4463 0.0000 0.0000 51844.1966 -110122.8866 297.9493 -161967.0831 -109753.0462 298.3800 -33.0684 -1.9048 761228.6067 17.0360 17.2011 PRESSURE: 4923600 200.931 -111.253 -15.4187 -111.252 266.488 -178.406 -15.4198 -178.407 83.0363 GPRESSURE: 4923600 213.522 -32.2117 -77.3644 -86.3391 210.75 -181.893 37.8177 -180.316 215.45 PRESSAVG: 4923600 -26.5626 -54.0426 -19.5301 -54.0426 -16.1536 12.3508 -19.5302 12.3507 -4.38988 GPRESSAVG: 4923600 -27.2526 -52.3701 -20.6573 -52.6583 -14.6625 12.6491 -17.7143 14.5294 -4.45554 TIMING: 4923600 CPU: 15861.2, 0.00314999/step Wall: 15861.2, 0.00314999/step, 0.0668498 hours remaining, 236.640625 MB of memory in use. ENERGY: 4923600 3916.1947 20469.6670 14362.5540 240.8803 -203700.4751 2696.0657 0.0000 0.0000 51858.0803 -110157.0332 298.0291 -162015.1134 -109802.2524 297.9546 183.4850 213.2404 759424.6262 -15.7020 -15.4569 PRESSURE: 4923800 65.6386 1.2115 6.87988 1.21123 -466.318 108.179 6.88066 108.18 112.561 GPRESSURE: 4923800 100.534 -70.834 -38.5106 -92.5881 -418.377 94.8408 90.2765 -32.5781 123.477 PRESSAVG: 4923800 21.9195 -0.964789 25.9731 -0.964832 -29.0454 16.3339 25.9732 16.3339 1.30052 GPRESSAVG: 4923800 22.7753 -2.48275 26.9056 -0.79518 -30.7762 15.7638 25.5875 14.3168 2.34809 TIMING: 4923800 CPU: 15861.9, 0.00314136/step Wall: 15861.9, 0.00314136/step, 0.0664921 hours remaining, 236.640625 MB of memory in use. ENERGY: 4923800 4011.0756 20277.7338 14415.7312 248.0834 -203583.5507 2604.5148 0.0000 0.0000 51916.6190 -110109.7928 298.3655 -162026.4118 -109750.9384 298.3909 -96.0395 -64.7886 760030.1182 -1.9418 -1.8843 PRESSURE: 4924000 1.81515 -105.366 81.0425 -105.366 86.5696 -3.03253 81.0422 -3.03275 225.331 GPRESSURE: 4924000 -52.2869 -34.3321 87.5063 -104.786 168.451 57.7453 9.10372 46.4957 270.425 PRESSAVG: 4924000 18.5348 -28.5308 14.4883 -28.5308 -37.655 28.6135 14.4884 28.6135 5.12201 GPRESSAVG: 4924000 17.1571 -27.9408 17.2203 -28.6306 -36.2859 28.1514 13.0642 29.5094 5.48795 TIMING: 4924000 CPU: 15862.5, 0.00316157/step Wall: 15862.5, 0.00316157/step, 0.0667443 hours remaining, 236.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4924000 4097.1729 20407.2214 14436.6213 232.7313 -203736.0213 2662.1100 0.0000 0.0000 51843.1359 -110057.0284 297.9432 -161900.1643 -109700.2996 298.6242 104.5720 128.8630 759053.5111 -4.6660 -4.5470 PRESSURE: 4924200 136.197 -77.2904 -17.4531 -77.2896 50.8864 173.457 -17.4531 173.455 138.13 GPRESSURE: 4924200 34.5019 -4.50635 -9.8363 -70.7151 214.808 139.716 -4.34537 95.6261 153.709 PRESSAVG: 4924200 1.02066 -37.9851 4.23592 -37.9851 14.5733 29.11 4.23594 29.11 3.27417 GPRESSAVG: 4924200 1.28946 -36.9536 2.58502 -36.6329 14.7825 29.8634 3.84886 30.5161 2.55327 TIMING: 4924200 CPU: 15863.1, 0.00312838/step Wall: 15863.1, 0.00312838/step, 0.0658698 hours remaining, 236.695312 MB of memory in use. ENERGY: 4924200 3998.3308 20523.7880 14424.0282 245.5392 -203651.8253 2577.0714 0.0000 0.0000 51887.9990 -109995.0687 298.2010 -161883.0677 -109645.7868 298.4171 108.4045 134.3399 760095.3134 6.2894 6.2084 LDB: ============= START OF LOAD BALANCING ============== 15875.6 LDB: ============== END OF LOAD BALANCING =============== 15875.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15875.6 LDB: ============= START OF LOAD BALANCING ============== 15875.9 LDB: Largest compute 7075 load 0.031441 is 16.1% of average load 0.195712 LDB: Average compute 0.004390 is 2.2% of average load 0.195712 LDB: TIME 15875.9 LOAD: AVG 0.195712 MAX 0.216718 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 15875.9 LOAD: AVG 0.195712 MAX 0.216718 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.207 MB LDB: TIME 15875.9 LOAD: AVG 0.195712 MAX 0.216718 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.207 MB LDB: ============== END OF LOAD BALANCING =============== 15875.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15875.9 PRESSURE: 4924400 -31.4055 -151.469 28.8291 -151.468 -200.446 199.637 28.8291 199.637 122.634 GPRESSURE: 4924400 122.165 -42.4537 45.2813 -169.565 -212.056 155.028 -39.5827 94.0953 58.579 PRESSAVG: 4924400 63.8674 -55.3995 -6.9067 -55.3995 -3.77209 23.6251 -6.90664 23.6252 -26.7759 GPRESSAVG: 4924400 62.9884 -53.783 -7.19887 -58.1078 -4.30769 22.9393 -5.38991 23.0714 -24.8363 TIMING: 4924400 CPU: 15863.8, 0.00320074/step Wall: 15863.8, 0.00320074/step, 0.0672155 hours remaining, 237.894531 MB of memory in use. ENERGY: 4924400 4022.8115 20345.3977 14428.5313 233.8624 -203586.4434 2531.3177 0.0000 0.0000 51838.8802 -110185.6426 297.9188 -162024.5227 -109826.5203 298.2469 -36.4056 -10.4373 760187.5539 11.1065 11.2815 PRESSURE: 4924600 -127.444 -84.9767 175.735 -84.9768 -403.87 -268.641 175.735 -268.641 -170.198 GPRESSURE: 4924600 -113.08 27.4923 116.739 -145.552 -352.907 -340.335 159.113 -259.985 -164.946 PRESSAVG: 4924600 -26.2504 10.6793 -28.6578 10.6792 10.464 -21.4732 -28.6578 -21.4731 14.4268 GPRESSAVG: 4924600 -24.8883 8.26287 -30.5161 12.57 11.2186 -21.0496 -28.0755 -21.8659 12.4464 TIMING: 4924600 CPU: 15864.4, 0.00313886/step Wall: 15864.4, 0.00313886/step, 0.0657417 hours remaining, 238.152344 MB of memory in use. ENERGY: 4924600 4004.7949 20322.2734 14407.5720 240.3443 -203600.2534 2516.2802 0.0000 0.0000 51925.8506 -110183.1378 298.4186 -162108.9884 -109825.2127 297.5607 -233.8375 -210.3109 760757.6483 -0.4532 -0.4078 PRESSURE: 4924800 -276.916 17.0581 195.89 17.0591 -55.9915 194.546 195.89 194.546 -146.166 GPRESSURE: 4924800 -202.968 -46.5726 184.036 54.2939 -55.0767 69.8372 202.449 107.74 -136.426 PRESSAVG: 4924800 23.9505 16.1687 -3.7355 16.1687 4.95213 0.183109 -3.73554 0.183068 9.88372 GPRESSAVG: 4924800 23.9883 16.3973 -2.85465 16.901 4.8037 1.54057 -5.38774 0.530003 10.0124 TIMING: 4924800 CPU: 15865, 0.00313203/step Wall: 15865, 0.00313203/step, 0.0654247 hours remaining, 238.222656 MB of memory in use. ENERGY: 4924800 4041.6008 20513.7566 14361.6615 235.2277 -203947.1725 2689.3420 0.0000 0.0000 51974.4741 -110131.1098 298.6980 -162105.5840 -109778.9552 298.3767 -159.6911 -131.4903 760159.7816 12.9288 12.9348 PRESSURE: 4925000 139.407 84.101 -61.9072 84.1002 55.4605 12.32 -61.9076 12.321 -4.42871 GPRESSURE: 4925000 114.004 48.6778 -105.529 42.6459 141.772 -66.143 -38.3523 -40.1747 2.74982 PRESSAVG: 4925000 20.8786 16.2934 -23.2443 16.2933 -46.9716 4.33913 -23.2444 4.3391 6.20292 GPRESSAVG: 4925000 20.5818 15.7257 -23.9039 16.2435 -46.5453 3.40321 -22.6731 4.25371 6.07339 TIMING: 4925000 CPU: 15865.6, 0.00311759/step Wall: 15865.6, 0.00311759/step, 0.0649497 hours remaining, 238.503906 MB of memory in use. ENERGY: 4925000 3950.7624 20519.5814 14411.5862 233.4758 -203721.8292 2500.3136 0.0000 0.0000 51868.7822 -110237.3278 298.0906 -162106.1099 -109881.2656 298.5792 63.4796 86.1753 759659.1327 -6.6300 -6.6300 PRESSURE: 4925200 -351.194 -36.5514 -247.366 -36.5508 44.2105 153.358 -247.365 153.359 -47.6011 GPRESSURE: 4925200 -300.255 35.483 -132.848 -11.6591 110.616 177.25 -209.239 115.326 -78.5391 PRESSAVG: 4925200 10.5509 0.808799 -20.1808 0.808783 -2.10561 11.1637 -20.1809 11.1637 -9.80105 GPRESSAVG: 4925200 9.70304 2.66262 -19.4401 -0.155845 -1.96342 9.83551 -20.0966 10.2821 -9.22521 TIMING: 4925200 CPU: 15866.3, 0.00311425/step Wall: 15866.3, 0.00311425/step, 0.0647071 hours remaining, 238.503906 MB of memory in use. ENERGY: 4925200 3951.6276 20601.1417 14462.6955 241.4110 -203600.2054 2611.9217 0.0000 0.0000 51752.6140 -109978.7938 297.4230 -161731.4078 -109617.5635 298.5713 -118.1949 -89.3926 759552.7928 -0.4519 -0.4952 PRESSURE: 4925400 52.3933 128.791 10.1457 128.791 150.441 81.0311 10.1459 81.0307 -49.7816 GPRESSURE: 4925400 95.5739 27.7587 9.8996 211.036 197.601 -37.7968 38.6044 52.5557 -54.3403 PRESSAVG: 4925400 9.49371 -11.1454 -28.6271 -11.1453 -15.8171 -19.1608 -28.6272 -19.1607 -13.8098 GPRESSAVG: 4925400 10.0921 -12.7821 -26.9921 -11.0848 -15.0023 -17.1251 -28.9654 -21.4446 -14.571 TIMING: 4925400 CPU: 15866.9, 0.00312308/step Wall: 15866.9, 0.00312308/step, 0.0647172 hours remaining, 238.503906 MB of memory in use. ENERGY: 4925400 3965.5969 20446.5572 14400.3340 241.6642 -203620.0223 2691.2151 0.0000 0.0000 51788.7652 -110085.8895 297.6307 -161874.6547 -109727.1872 298.1921 51.0176 79.6115 758900.0475 -6.7111 -6.4937 PRESSURE: 4925600 -209.411 235.284 165.51 235.283 88.1604 265.517 165.51 265.517 -193.856 GPRESSURE: 4925600 -265.409 117.69 120.306 65.4831 112.881 255.9 0.884061 296.431 -82.5919 PRESSAVG: 4925600 4.45449 -25.1262 25.9433 -25.1262 -11.75 57.9715 25.9434 57.9715 30.9272 GPRESSAVG: 4925600 4.00041 -24.4344 23.8437 -24.8465 -12.8486 56.8845 25.8726 61.6233 32.876 TIMING: 4925600 CPU: 15867.5, 0.00310262/step Wall: 15867.5, 0.00310262/step, 0.0641207 hours remaining, 238.503906 MB of memory in use. ENERGY: 4925600 3934.7006 20605.1247 14363.3239 255.5733 -203332.3138 2287.0430 0.0000 0.0000 51743.8584 -110142.6900 297.3727 -161886.5484 -109797.4499 298.1290 -105.0356 -78.3734 759188.0454 7.8773 8.0093 PRESSURE: 4925800 28.4697 47.1886 -80.5306 47.1883 -21.7489 40.321 -80.5294 40.3206 17.5955 GPRESSURE: 4925800 125.079 1.59139 -11.7047 44.6779 -109.657 42.3369 -196.991 -79.1348 88.6226 PRESSAVG: 4925800 -22.198 -23.5892 -11.8838 -23.5893 -13.1426 28.3605 -11.8838 28.3605 -0.300468 GPRESSAVG: 4925800 -22.4451 -23.8901 -12.8956 -22.9116 -12.7125 29.6393 -12.0172 27.3973 -0.506967 TIMING: 4925800 CPU: 15868.1, 0.00311643/step Wall: 15868.1, 0.00311643/step, 0.0642332 hours remaining, 238.503906 MB of memory in use. ENERGY: 4925800 3988.7914 20494.9226 14381.0919 263.3419 -203758.9011 2621.7620 0.0000 0.0000 51790.6828 -110218.3086 297.6418 -162008.9914 -109851.4145 297.8895 8.1054 34.6814 759911.1419 -11.8804 -11.8882 PRESSURE: 4926000 287.571 -195.054 22.1101 -195.054 124.854 -312.174 22.111 -312.173 163.698 GPRESSURE: 4926000 401.831 -128.652 47.8671 -224.851 171.435 -225.018 142.007 -247.803 101.377 PRESSAVG: 4926000 25.3 6.28947 -6.99872 6.28939 23.9184 63.1745 -6.99871 63.1745 -10.8134 GPRESSAVG: 4926000 27.0149 6.74159 -4.49441 6.10016 23.8138 62.2335 -7.95785 63.7953 -12.2145 TIMING: 4926000 CPU: 15868.8, 0.00312616/step Wall: 15868.8, 0.00312616/step, 0.06426 hours remaining, 238.503906 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: 4926000 4051.5469 20405.7537 14456.7067 243.3308 -204300.8487 3036.6470 0.0000 0.0000 51968.8188 -110138.0448 298.6655 -162106.8636 -109787.6666 298.3937 192.0410 224.8809 758264.1248 12.8017 12.8714 PRESSURE: 4926200 -166.533 282.167 124.387 282.167 -154.096 179.856 124.387 179.857 -200.456 GPRESSURE: 4926200 -214.031 225.402 113.012 293.017 -125.066 148.751 95.7004 140.105 -114.002 PRESSAVG: 4926200 44.8541 -4.22909 -4.94021 -4.22908 -12.0983 18.4685 -4.94018 18.4685 17.3966 GPRESSAVG: 4926200 42.2211 -3.5061 -5.34043 -3.72595 -11.0001 18.3858 -3.84611 17.9592 18.8967 TIMING: 4926200 CPU: 15869.4, 0.00311091/step Wall: 15869.4, 0.00311091/step, 0.0637737 hours remaining, 238.503906 MB of memory in use. ENERGY: 4926200 4031.0744 20539.8938 14404.3603 248.2571 -203474.8849 2313.4601 0.0000 0.0000 51858.1444 -110079.6950 298.0295 -161937.8393 -109711.3629 297.8167 -173.6949 -151.0332 759870.6153 16.7175 16.7059 PRESSURE: 4926400 447.876 -8.25208 -11.9842 -8.25234 207.384 -73.2684 -11.9846 -73.2675 337.731 GPRESSURE: 4926400 561.251 -52.5368 14.0991 -29.3507 144.577 -7.50938 -11.7 16.8298 370.832 PRESSAVG: 4926400 56.2563 -8.7451 -45.3063 -8.74507 -37.5011 -10.6247 -45.3063 -10.6246 14.7797 GPRESSAVG: 4926400 58.1629 -10.2214 -45.3733 -8.37313 -38.6207 -10.7036 -46.1965 -11.7998 13.8928 TIMING: 4926400 CPU: 15870, 0.00312419/step Wall: 15870, 0.00312419/step, 0.0638724 hours remaining, 238.503906 MB of memory in use. ENERGY: 4926400 3953.4267 20406.5005 14463.4399 249.3403 -203795.4399 2816.2418 0.0000 0.0000 51911.6695 -109994.8213 298.3371 -161906.4908 -109631.1545 298.6982 330.9969 358.8867 760577.8412 11.1783 11.1450 PRESSURE: 4926600 -90.0509 -231.686 35.2149 -231.686 -312.152 -184.901 35.2153 -184.901 -110.948 GPRESSURE: 4926600 -85.6451 -309.606 -0.678924 -295.509 -298.106 -224.822 204.318 -138.653 -38.2756 PRESSAVG: 4926600 11.834 -29.8671 15.8991 -29.8672 -10.3108 19.9991 15.8991 19.9992 14.3121 GPRESSAVG: 4926600 11.0012 -30.7453 15.0794 -31.034 -8.77054 20.8002 19.5391 21.2586 13.4624 TIMING: 4926600 CPU: 15870.6, 0.00311134/step Wall: 15870.6, 0.00311134/step, 0.0634367 hours remaining, 238.503906 MB of memory in use. ENERGY: 4926600 4053.6943 20456.5661 14451.5785 265.0882 -203372.2738 2429.8836 0.0000 0.0000 51811.2217 -109904.2414 297.7598 -161715.4631 -109545.0654 298.4192 -171.0502 -140.6757 760518.0335 5.2784 5.2310 PRESSURE: 4926800 -76.724 -35.0094 355.29 -35.0089 5.99154 -14.8166 355.29 -14.8162 -178.93 GPRESSURE: 4926800 14.4826 -35.5695 360.05 5.47536 23.653 12.9119 292.717 107.277 -211.293 PRESSAVG: 4926800 35.8712 -23.5147 44.7684 -23.5147 -38.7586 36.2513 44.7685 36.2513 -5.15112 GPRESSAVG: 4926800 36.1954 -20.5671 44.7124 -22.6747 -38.8622 35.9768 44.4127 36.5699 -5.3059 TIMING: 4926800 CPU: 15871.3, 0.00312426/step Wall: 15871.3, 0.00312426/step, 0.0635267 hours remaining, 238.503906 MB of memory in use. ENERGY: 4926800 3939.2395 20424.3965 14422.6552 242.8279 -203488.2570 2429.7110 0.0000 0.0000 52086.1826 -109943.2443 299.3400 -162029.4269 -109573.2024 298.7856 -83.2208 -57.7192 760388.8299 -2.6795 -2.6576 PRESSURE: 4927000 -379.764 115.622 20.7309 115.621 -205.524 -31.0015 20.7318 -31.0015 -80.0511 GPRESSURE: 4927000 -330.495 99.8041 62.8086 84.7243 -141.286 24.3997 63.3744 -19.5431 -85.9137 PRESSAVG: 4927000 13.4915 -8.89582 32.8204 -8.89585 4.37184 37.302 32.8204 37.3019 18.3626 GPRESSAVG: 4927000 13.9919 -10.6293 33.9377 -6.98262 3.00726 37.7452 30.2579 35.196 19.5366 TIMING: 4927000 CPU: 15871.9, 0.00312273/step Wall: 15871.9, 0.00312273/step, 0.063322 hours remaining, 238.503906 MB of memory in use. ENERGY: 4927000 4027.0820 20592.5423 14414.2963 238.7684 -203476.5877 2564.7379 0.0000 0.0000 51770.0352 -109869.1257 297.5231 -161639.1610 -109510.7353 298.6545 -221.7797 -185.8980 760368.5885 12.0753 12.1786 PRESSURE: 4927200 257.753 42.221 -3.2043 42.2208 -91.6313 293.276 -3.20419 293.276 -238.716 GPRESSURE: 4927200 270.305 127.652 46.1156 -2.15179 -103.989 258.44 36.4277 297.79 -158.996 PRESSAVG: 4927200 -40.8233 12.1021 42.4363 12.1021 0.962887 22.16 42.4363 22.16 -22.6489 GPRESSAVG: 4927200 -41.3945 13.0832 42.2839 8.75291 1.69772 21.8193 44.8872 22.5579 -22.907 TIMING: 4927200 CPU: 15872.5, 0.00312558/step Wall: 15872.5, 0.00312558/step, 0.0632061 hours remaining, 238.503906 MB of memory in use. ENERGY: 4927200 3985.2541 20623.8497 14404.3136 239.5094 -203420.9898 2564.9339 0.0000 0.0000 51980.1740 -109622.9551 298.7308 -161603.1291 -109256.6970 299.0235 -24.1979 2.4404 760318.7688 -20.8364 -20.8679 PRESSURE: 4927400 257.474 54.4869 114.786 54.4872 71.3136 -157.069 114.787 -157.069 54.9639 GPRESSURE: 4927400 223.364 90.719 65.6495 6.2233 105.917 -129.076 95.2826 59.329 148.491 PRESSAVG: 4927400 0.834488 11.4327 -10.1536 11.4327 20.2657 34.1214 -10.1535 34.1214 4.0997 GPRESSAVG: 4927400 1.79363 10.5886 -10.6042 12.4818 18.8876 32.6398 -11.474 36.2824 4.10266 TIMING: 4927400 CPU: 15873.1, 0.00311148/step Wall: 15873.1, 0.00311148/step, 0.0627482 hours remaining, 238.503906 MB of memory in use. ENERGY: 4927400 3961.2413 20559.7882 14481.3280 263.8742 -203884.3900 2807.4454 0.0000 0.0000 51903.8481 -109906.8648 298.2921 -161810.7129 -109548.4432 298.2968 127.9172 159.2576 759960.5335 8.4000 8.2613 PRESSURE: 4927600 -192.415 -110.779 -194.325 -110.779 -366.142 135.324 -194.325 135.324 -204.165 GPRESSURE: 4927600 -107.101 5.61883 -230.206 -133.514 -350.766 153.776 -92.0639 77.8725 -223.8 PRESSAVG: 4927600 -17.995 -31.0072 -6.75511 -31.0071 -36.7111 50.9106 -6.7551 50.9106 4.25662 GPRESSAVG: 4927600 -18.7211 -30.1922 -6.11895 -29.8172 -35.3226 51.814 -6.0913 49.8179 3.54747 TIMING: 4927600 CPU: 15873.8, 0.00312164/step Wall: 15873.8, 0.00312164/step, 0.0627797 hours remaining, 238.503906 MB of memory in use. ENERGY: 4927600 4057.3984 20438.7748 14431.8912 234.7946 -203585.4106 2630.3916 0.0000 0.0000 51723.0764 -110069.0834 297.2532 -161792.1599 -109708.9399 298.2973 -254.2408 -227.2222 760266.4446 -16.8165 -16.8321 PRESSURE: 4927800 24.4143 64.6514 -110.767 64.6515 -499.824 -64.8281 -110.767 -64.8282 -171.862 GPRESSURE: 4927800 20.5465 96.2009 -119.633 31.3988 -431.303 -104.646 -73.9213 15.7528 -169.134 PRESSAVG: 4927800 34.6695 20.4583 -60.3451 20.4584 -0.306478 -7.35768 -60.3451 -7.35755 5.21466 GPRESSAVG: 4927800 34.2887 19.5534 -59.935 19.7832 0.46843 -6.55426 -62.0741 -7.23333 5.39147 TIMING: 4927800 CPU: 15874.4, 0.00309451/step Wall: 15874.4, 0.00309451/step, 0.0620621 hours remaining, 238.503906 MB of memory in use. ENERGY: 4927800 3983.7410 20616.3315 14470.6400 235.0582 -203681.6750 2635.1372 0.0000 0.0000 51942.7914 -109797.9756 298.5159 -161740.7670 -109430.7752 298.6037 -215.7571 -193.2969 759898.7583 13.1926 13.3829 PRESSURE: 4928000 -383.744 3.67662 60.6071 3.67673 166.309 80.457 60.6081 80.4576 55.7631 GPRESSURE: 4928000 -249.513 -41.803 75.236 44.5345 150.506 97.6412 35.1634 -15.8642 39.7492 PRESSAVG: 4928000 2.96484 -25.4441 -13.9651 -25.4441 -32.5494 58.716 -13.9651 58.7159 19.0261 GPRESSAVG: 4928000 4.03151 -26.8137 -15.7144 -25.65 -33.48 56.5252 -10.9823 57.7707 18.5438 TIMING: 4928000 CPU: 15875, 0.00311127/step Wall: 15875, 0.00311127/step, 0.0622255 hours remaining, 238.503906 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: 4928000 3976.8984 20426.9641 14406.8983 243.4082 -203456.4712 2652.6801 0.0000 0.0000 52107.2931 -109642.3291 299.4613 -161749.6222 -109282.7972 298.6905 -53.8905 -19.7527 760593.0249 -3.5195 -3.6349 PRESSURE: 4928200 85.4218 -201.377 -133.568 -201.376 151.308 77.3399 -133.567 77.3404 -105.023 GPRESSURE: 4928200 100.796 -210.201 -127.126 -36.3725 170.995 -0.551118 -125.415 -21.8952 -35.0936 PRESSAVG: 4928200 6.33135 -70.9985 -40.0019 -70.9984 34.214 34.9814 -40.0019 34.9814 -12.8278 GPRESSAVG: 4928200 5.78164 -70.4335 -39.4816 -69.4751 34.266 35.1903 -40.8857 36.197 -12.3594 TIMING: 4928200 CPU: 15875.6, 0.00310792/step Wall: 15875.6, 0.00310792/step, 0.0619858 hours remaining, 238.503906 MB of memory in use. ENERGY: 4928200 4070.0480 20605.2081 14440.5198 254.6574 -203767.3100 2687.1316 0.0000 0.0000 52200.4809 -109509.2643 299.9969 -161709.7452 -109152.2426 299.6289 43.9025 78.8993 759987.6318 9.2392 9.2294 LDB: ============= START OF LOAD BALANCING ============== 15888 LDB: ============== END OF LOAD BALANCING =============== 15888 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15888 LDB: ============= START OF LOAD BALANCING ============== 15888.3 LDB: Largest compute 7075 load 0.031342 is 16.0% of average load 0.195599 LDB: Average compute 0.004385 is 2.2% of average load 0.195599 LDB: TIME 15888.4 LOAD: AVG 0.195599 MAX 0.214504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.512 MB LDB: TIME 15888.4 LOAD: AVG 0.195599 MAX 0.214504 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: TIME 15888.4 LOAD: AVG 0.195599 MAX 0.214504 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: ============== END OF LOAD BALANCING =============== 15888.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15888.4 PRESSURE: 4928400 -27.9099 -75.5809 -63.3799 -75.5816 -92.6648 -117.876 -63.3798 -117.875 -368.378 GPRESSURE: 4928400 8.47762 3.62194 -95.5914 -52.5245 -38.6386 -99.5123 -102.624 13.9367 -367.687 PRESSAVG: 4928400 -18.8304 -26.5561 -57.1293 -26.5561 24.7685 -38.9178 -57.1293 -38.9179 1.9492 GPRESSAVG: 4928400 -18.763 -25.034 -57.1112 -26.936 24.4102 -38.1945 -57.9143 -38.5578 1.74038 TIMING: 4928400 CPU: 15876.3, 0.00317018/step Wall: 15876.3, 0.00317018/step, 0.0630513 hours remaining, 237.441406 MB of memory in use. ENERGY: 4928400 4033.8546 20560.6871 14508.1893 244.8758 -203748.9075 2599.9864 0.0000 0.0000 52001.7011 -109799.6132 298.8545 -161801.3144 -109434.6062 299.7021 -162.9842 -132.6161 760609.1833 2.6291 2.4625 PRESSURE: 4928600 -156.853 -49.6265 -82.8394 -49.6268 -66.0279 180.958 -82.8394 180.958 -413.343 GPRESSURE: 4928600 -212.151 99.3096 -87.5776 -15.5978 79.4725 90.5834 -94.3616 29.0054 -401.537 PRESSAVG: 4928600 47.1872 37.2411 -2.69435 37.2411 -65.9375 5.06345 -2.69431 5.06342 15.1526 GPRESSAVG: 4928600 46.1955 36.9923 -1.91079 37.1746 -65.5751 5.39071 -3.74159 6.99857 15.7203 TIMING: 4928600 CPU: 15876.9, 0.00311311/step Wall: 15876.9, 0.00311311/step, 0.0617433 hours remaining, 237.441406 MB of memory in use. ENERGY: 4928600 4049.6152 20691.7823 14416.0965 230.4749 -203685.9749 2541.4168 0.0000 0.0000 51967.9854 -109788.6037 298.6607 -161756.5891 -109429.0255 298.9176 -212.0746 -178.0718 762013.8777 -1.1992 -1.2198 PRESSURE: 4928800 -190.296 140.622 -20.5394 140.621 8.19653 -99.9798 -20.5402 -99.9805 -231.418 GPRESSURE: 4928800 -33.8168 60.3542 41.3861 214.824 -27.6912 -8.47257 -11.85 -31.6794 -257.911 PRESSAVG: 4928800 -36.043 14.5897 -60.0679 14.5898 27.7602 -26.8781 -60.0679 -26.878 -1.52759 GPRESSAVG: 4928800 -34.6767 15.3844 -60.5088 13.7627 26.3505 -25.928 -59.2349 -29.4177 -1.82666 TIMING: 4928800 CPU: 15877.5, 0.00312711/step Wall: 15877.5, 0.00312711/step, 0.0618472 hours remaining, 237.441406 MB of memory in use. ENERGY: 4928800 4092.6733 20571.4901 14419.7972 235.8058 -203647.0322 2571.3255 0.0000 0.0000 52104.4875 -109651.4529 299.4452 -161755.9403 -109287.3502 299.1656 -137.8390 -106.4731 759906.2453 -3.2701 -3.3843 PRESSURE: 4929000 116.429 41.3072 118.277 41.3064 -146.78 27.5886 118.277 27.5888 90.6128 GPRESSURE: 4929000 125.009 20.8093 229.594 79.5893 -79.9977 76.5578 63.8273 39.6033 95.5426 PRESSAVG: 4929000 -51.2186 23.3803 -49.7288 23.3802 -7.26992 -13.1216 -49.7288 -13.1217 -7.05321 GPRESSAVG: 4929000 -52.5595 22.6408 -51.6141 23.3916 -6.55513 -13.5423 -48.9476 -11.8838 -7.08581 TIMING: 4929000 CPU: 15878.1, 0.00311578/step Wall: 15878.1, 0.00311578/step, 0.0614501 hours remaining, 237.441406 MB of memory in use. ENERGY: 4929000 4000.0165 20619.0436 14478.3198 266.8768 -203255.0514 2379.3323 0.0000 0.0000 51670.3459 -109841.1165 296.9502 -161511.4624 -109473.3820 298.9888 20.0873 46.8514 761118.8642 -21.8473 -22.0668 PRESSURE: 4929200 108.234 128.046 267.771 128.046 248.05 190.066 267.772 190.065 -63.3079 GPRESSURE: 4929200 121.568 6.10644 166.322 83.1583 310.077 95.034 146.38 106.743 -54.5972 PRESSAVG: 4929200 29.4195 -18.2021 -19.9345 -18.202 -8.38919 -6.29626 -19.9345 -6.29631 15.1436 GPRESSAVG: 4929200 29.7425 -16.6277 -19.5755 -20.1264 -9.15769 -7.92741 -20.5387 -3.74458 15.3391 TIMING: 4929200 CPU: 15878.8, 0.00313788/step Wall: 15878.8, 0.00313788/step, 0.0617117 hours remaining, 237.441406 MB of memory in use. ENERGY: 4929200 4018.9188 20547.4344 14459.8208 230.2508 -203701.4742 2647.9348 0.0000 0.0000 51763.8902 -110033.2244 297.4878 -161797.1147 -109671.6554 298.5900 97.6588 125.6827 759672.2033 12.0579 11.9746 PRESSURE: 4929400 100.733 -53.6852 -48.8429 -53.686 -55.6016 125.129 -48.8434 125.129 -170.985 GPRESSURE: 4929400 69.4551 -61.3037 -161.58 -100.44 13.9326 79.0218 -65.4492 129.634 -114.051 PRESSAVG: 4929400 -24.4826 4.83721 -58.0298 4.83722 19.6501 -21.7633 -58.0298 -21.7633 -20.9625 GPRESSAVG: 4929400 -25.6495 2.14271 -56.9713 6.7531 20.3528 -20.1905 -58.8471 -24.4476 -20.3806 TIMING: 4929400 CPU: 15879.4, 0.00312057/step Wall: 15879.4, 0.00312057/step, 0.0611977 hours remaining, 237.441406 MB of memory in use. ENERGY: 4929400 3971.1001 20532.9510 14460.1580 238.5302 -203740.2271 2818.8957 0.0000 0.0000 51616.1028 -110102.4892 296.6385 -161718.5920 -109750.7580 298.0442 -41.9511 -10.2212 761440.6653 -8.5984 -8.5591 PRESSURE: 4929600 -30.7727 1.89693 278.671 1.89721 385.201 -27.6146 278.671 -27.6141 315.013 GPRESSURE: 4929600 -69.8812 -7.21932 378.913 -10.3832 490.674 53.7495 155.708 -123.354 347.877 PRESSAVG: 4929600 -35.4944 32.0704 26.6361 32.0703 -5.77827 4.93567 26.6361 4.93562 23.248 GPRESSAVG: 4929600 -33.7398 33.1572 26.2875 31.2413 -6.96294 4.07782 27.1664 3.9078 23.3162 TIMING: 4929600 CPU: 15880, 0.00311813/step Wall: 15880, 0.00311813/step, 0.0609768 hours remaining, 237.441406 MB of memory in use. ENERGY: 4929600 3901.9637 20412.4298 14444.9760 226.8821 -203933.8700 2953.8328 0.0000 0.0000 51847.8172 -110145.9683 297.9701 -161993.7856 -109782.0178 298.2616 223.1471 256.2231 759802.3745 -6.0082 -5.7955 PRESSURE: 4929800 -133.712 158.862 201.947 158.862 174.825 158.129 201.948 158.13 472.013 GPRESSURE: 4929800 -78.6532 196.792 209.274 120.655 174.444 152.404 275.479 271.804 491.748 PRESSAVG: 4929800 -46.818 13.8867 -14.4854 13.8866 31.8725 14.847 -14.4854 14.8471 -16.5729 GPRESSAVG: 4929800 -47.7317 13.5724 -14.3642 14.1164 34.0326 16.3233 -13.5691 15.4888 -17.3723 TIMING: 4929800 CPU: 15880.6, 0.00311196/step Wall: 15880.6, 0.00311196/step, 0.0606833 hours remaining, 237.441406 MB of memory in use. ENERGY: 4929800 4037.6465 20384.0660 14477.1246 252.1952 -204308.9292 3112.3740 0.0000 0.0000 51823.1637 -110222.3591 297.8284 -162045.5228 -109852.2361 297.7234 171.0420 195.8461 759447.8530 -10.5061 -10.3571 PRESSURE: 4930000 -216.527 -73.1473 -104.135 -73.148 52.8995 302.579 -104.135 302.579 173.52 GPRESSURE: 4930000 -206.086 -121.242 -118.325 36.6918 167.231 249.229 -24.2365 301.613 159.098 PRESSAVG: 4930000 -18.0149 42.5969 -39.8155 42.5969 32.032 1.28576 -39.8155 1.28573 8.80941 GPRESSAVG: 4930000 -16.4293 40.0401 -39.9674 45.4057 32.0529 0.842766 -39.9709 1.97408 7.4867 TIMING: 4930000 CPU: 15881.2, 0.00310928/step Wall: 15881.2, 0.00310928/step, 0.0604582 hours remaining, 237.441406 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: 4930000 3988.3452 20364.9359 14430.3205 231.0004 -203859.8808 2706.8324 0.0000 0.0000 51888.0168 -110250.4295 298.2011 -162138.4463 -109886.8367 297.6418 3.2976 40.0810 760215.3636 7.6088 7.7034 PRESSURE: 4930200 22.8706 30.6771 -83.048 30.6767 225.401 15.0978 -83.0479 15.0989 134.622 GPRESSURE: 4930200 59.2668 100.494 -187.75 97.6864 187.91 76.5879 -161.755 -125.721 224.732 PRESSAVG: 4930200 -27.1994 24.9237 -4.07811 24.9237 -2.26605 35.7332 -4.07813 35.7334 -24.4193 GPRESSAVG: 4930200 -27.8785 25.8501 -3.98897 24.0148 -3.88664 36.9836 -3.46569 34.538 -22.1596 TIMING: 4930200 CPU: 15881.9, 0.00311601/step Wall: 15881.9, 0.00311601/step, 0.0604159 hours remaining, 237.441406 MB of memory in use. ENERGY: 4930200 3912.4082 20270.2528 14419.2169 236.3074 -203502.0765 2472.9253 0.0000 0.0000 51906.9018 -110284.0640 298.3097 -162190.9658 -109915.8681 297.5815 127.6313 157.3029 760544.8200 -17.9616 -17.9749 PRESSURE: 4930400 256.633 -153.071 -147.109 -153.071 185.987 47.4478 -147.108 47.4475 102.915 GPRESSURE: 4930400 194.449 -119.019 -209.742 -135.444 250.459 120.6 -111.702 1.87697 182.536 PRESSAVG: 4930400 -28.8454 -11.9494 -2.90086 -11.9493 30.8316 31.2062 -2.90086 31.2061 9.37719 GPRESSAVG: 4930400 -29.6936 -9.37014 -3.31877 -13.4732 32.0711 29.6515 -3.03506 31.8553 8.55653 TIMING: 4930400 CPU: 15882.5, 0.0031233/step Wall: 15882.5, 0.0031233/step, 0.0603839 hours remaining, 237.441406 MB of memory in use. ENERGY: 4930400 4005.8843 20604.3103 14347.1811 245.6109 -203954.1701 2819.4470 0.0000 0.0000 51701.7137 -110230.0229 297.1305 -161931.7366 -109875.8605 297.3329 181.8450 209.1480 760184.9461 3.7878 3.6447 PRESSURE: 4930600 73.8813 -78.6673 129.663 -78.6673 -37.2276 -100.161 129.663 -100.162 11.636 GPRESSURE: 4930600 112.475 -165.281 85.3982 -77.2484 52.2475 -46.1323 96.2634 -80.2708 -33.5308 PRESSAVG: 4930600 7.18643 -12.6875 -64.4428 -12.6875 24.656 -25.369 -64.4429 -25.369 -11.8785 GPRESSAVG: 4930600 7.723 -13.468 -64.3969 -12.1837 24.1215 -25.6783 -65.5717 -26.0992 -12 TIMING: 4930600 CPU: 15883.1, 0.00311477/step Wall: 15883.1, 0.00311477/step, 0.0600459 hours remaining, 237.441406 MB of memory in use. ENERGY: 4930600 3953.8523 20432.5909 14424.3923 265.0331 -203640.4202 2654.9269 0.0000 0.0000 51949.1971 -109960.4275 298.5527 -161909.6246 -109587.5665 297.9150 16.0966 43.7307 760362.9057 6.6547 6.6148 PRESSURE: 4930800 108.435 -235.047 293.364 -235.046 254.024 -111.65 293.363 -111.65 362.121 GPRESSURE: 4930800 147.332 -0.0249813 236.888 -172.828 258.556 -165.235 196.201 -15.2365 408.348 PRESSAVG: 4930800 15.717 18.6755 2.14071 18.6755 7.90224 16.3026 2.14064 16.3026 -17.7502 GPRESSAVG: 4930800 15.3347 20.6735 -0.441371 16.4238 7.96178 16.9303 1.59806 20.1332 -17.1473 TIMING: 4930800 CPU: 15883.7, 0.00312346/step Wall: 15883.7, 0.00312346/step, 0.0600398 hours remaining, 237.441406 MB of memory in use. ENERGY: 4930800 3991.8163 20461.2229 14436.6312 248.3758 -203523.2946 2630.0099 0.0000 0.0000 51914.7284 -109840.5102 298.3547 -161755.2386 -109478.1386 298.4736 241.5264 271.4120 760251.0388 1.9563 2.0497 PRESSURE: 4931000 -335.349 0.229219 -67.1167 0.229172 -302.904 10.321 -67.1164 10.3217 -330.706 GPRESSURE: 4931000 -337.229 18.5909 -67.3969 18.2949 -204.785 -1.76519 34.6281 120.678 -367.083 PRESSAVG: 4931000 -11.1945 -35.2042 13.4269 -35.2041 18.4629 44.4053 13.427 44.4053 -7.84449 GPRESSAVG: 4931000 -11.5173 -36.0564 16.0068 -33.9975 19.1172 44.3673 13.5509 40.3488 -8.25751 TIMING: 4931000 CPU: 15884.4, 0.00312394/step Wall: 15884.4, 0.00312394/step, 0.0598755 hours remaining, 237.441406 MB of memory in use. ENERGY: 4931000 4049.2579 20451.2392 14372.4204 247.0963 -203022.4165 2249.0923 0.0000 0.0000 52000.4137 -109652.8967 298.8471 -161653.3104 -109288.2581 298.5945 -322.9862 -303.0321 761594.6791 -0.1920 -0.2192 PRESSURE: 4931200 -457.733 -250.015 -133.707 -250.015 59.6243 194.134 -133.706 194.134 -73.5978 GPRESSURE: 4931200 -373.203 -207.291 -105.711 -341.901 -1.73971 225.247 -95.8615 169.898 -36.0668 PRESSAVG: 4931200 -13.4344 -8.21443 -8.59726 -8.21439 1.09067 28.7502 -8.59725 28.7501 4.2195 GPRESSAVG: 4931200 -12.6395 -10.2731 -8.75761 -8.00839 0.598101 30.2486 -10.2714 29.7129 3.16735 TIMING: 4931200 CPU: 15885, 0.00313482/step Wall: 15885, 0.00313482/step, 0.0599098 hours remaining, 237.441406 MB of memory in use. ENERGY: 4931200 3985.2486 20566.7810 14478.2297 226.0907 -202983.3657 2311.6072 0.0000 0.0000 51804.2481 -109611.1605 297.7197 -161415.4086 -109262.9303 298.8774 -157.2356 -137.0033 760414.9409 -2.7081 -2.9580 PRESSURE: 4931400 104.847 -42.145 -231.861 -42.1465 19.6796 129.723 -231.862 129.723 61.7198 GPRESSURE: 4931400 171.372 -76.1595 -220.827 -105.047 119.827 94.019 -228.446 67.4651 -19.4553 PRESSAVG: 4931400 -9.99836 -28.1214 18.7972 -28.1214 9.735 -57.2475 18.7972 -57.2474 -8.95285 GPRESSAVG: 4931400 -10.3562 -27.4804 18.8847 -27.1856 10.0592 -58.6738 20.4309 -58.4151 -8.78749 TIMING: 4931400 CPU: 15885.6, 0.00314103/step Wall: 15885.6, 0.00314103/step, 0.059854 hours remaining, 237.441406 MB of memory in use. ENERGY: 4931400 3852.0671 20462.7184 14439.8442 248.1019 -203553.2791 2823.2244 0.0000 0.0000 51816.9239 -109910.3992 297.7926 -161727.3231 -109543.9473 298.1305 62.0821 90.5812 761454.6585 -3.0721 -3.0282 PRESSURE: 4931600 -73.9119 200.381 164.777 200.381 442.262 -77.7318 164.777 -77.7327 188.853 GPRESSURE: 4931600 38.6373 134.154 130.55 77.0345 414.992 -117.369 114.724 -82.1876 179.105 PRESSAVG: 4931600 -46.6429 4.8007 69.2634 4.80067 67.6332 -45.8204 69.2633 -45.8205 3.22712 GPRESSAVG: 4931600 -46.0606 5.02974 69.3911 2.11178 66.8566 -47.3331 71.953 -45.3039 3.58289 TIMING: 4931600 CPU: 15886.2, 0.00315017/step Wall: 15886.2, 0.00315016/step, 0.0598531 hours remaining, 237.441406 MB of memory in use. ENERGY: 4931600 3958.9924 20390.5371 14454.4626 248.8355 -203637.2170 2666.8958 0.0000 0.0000 51905.7767 -110011.7170 298.3032 -161917.4937 -109643.7034 298.2913 185.7343 210.9112 760107.8463 8.0725 8.1263 PRESSURE: 4931800 -20.1495 -16.721 40.6504 -16.721 -55.8771 111.052 40.6495 111.052 163.661 GPRESSURE: 4931800 19.3981 -0.433761 87.5831 -6.15236 -30.8937 51.107 -3.20178 108.368 192.369 PRESSAVG: 4931800 36.117 -63.2815 45.7052 -63.2814 -20.3605 2.13708 45.7053 2.13704 0.774358 GPRESSAVG: 4931800 37.3953 -63.6599 45.2026 -59.667 -20.1598 4.13342 43.0568 0.682894 -0.422389 TIMING: 4931800 CPU: 15886.9, 0.00311656/step Wall: 15886.9, 0.00311656/step, 0.0590416 hours remaining, 237.441406 MB of memory in use. ENERGY: 4931800 3977.2350 20281.9628 14381.1604 241.1792 -203516.9627 2694.5195 0.0000 0.0000 51856.0581 -110084.8476 298.0175 -161940.9057 -109723.3060 297.8720 29.2116 60.2911 760902.9162 5.5103 5.6044 PRESSURE: 4932000 -293.103 -169.521 94.7205 -169.521 -339.695 -50.7446 94.7203 -50.7449 -428.195 GPRESSURE: 4932000 -260.474 -194.979 32.8575 -41.7646 -348.12 6.37045 224.716 -75.9436 -392.353 PRESSAVG: 4932000 -5.80296 28.5755 -4.71358 28.5754 -38.4039 0.557319 -4.71354 0.557349 -9.25739 GPRESSAVG: 4932000 -7.36939 27.9863 -5.30744 28.526 -38.3901 -0.178808 -3.50245 0.120988 -7.91093 TIMING: 4932000 CPU: 15887.5, 0.00310588/step Wall: 15887.5, 0.00310588/step, 0.0586666 hours remaining, 237.441406 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: 4932000 3938.8229 20512.1546 14353.0288 242.0700 -202996.0923 2252.5844 0.0000 0.0000 51650.9428 -110046.4888 296.8387 -161697.4316 -109677.9366 297.8061 -353.6642 -333.6490 762077.0585 -17.8214 -17.8901 PRESSURE: 4932200 7.29169 -59.9892 -10.5592 -59.9898 -320.155 58.0612 -10.559 58.0605 126.186 GPRESSURE: 4932200 28.6092 -70.5858 -37.2792 -64.2467 -264.833 9.51143 -77.3184 88.2919 103.162 PRESSAVG: 4932200 2.4887 -31.6902 23.7312 -31.6902 -37.4212 43.0631 23.7312 43.0631 -4.96833 GPRESSAVG: 4932200 4.59315 -33.3835 23.5943 -33.9784 -38.6733 41.2751 22.8261 44.9746 -6.00863 TIMING: 4932200 CPU: 15888.1, 0.00311039/step Wall: 15888.1, 0.00311039/step, 0.058579 hours remaining, 237.441406 MB of memory in use. ENERGY: 4932200 3981.3226 20474.8200 14488.7850 259.3399 -203675.9607 2537.5653 0.0000 0.0000 51914.2107 -110019.9173 298.3517 -161934.1279 -109665.9525 297.6360 -62.2256 -44.3540 761573.0563 -13.3003 -13.3629 LDB: ============= START OF LOAD BALANCING ============== 15900.5 LDB: ============== END OF LOAD BALANCING =============== 15900.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15900.5 LDB: ============= START OF LOAD BALANCING ============== 15900.8 LDB: Largest compute 7075 load 0.033463 is 17.1% of average load 0.195565 LDB: Average compute 0.004395 is 2.2% of average load 0.195565 LDB: TIME 15900.9 LOAD: AVG 0.195565 MAX 0.212598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.551 MB LDB: TIME 15900.9 LOAD: AVG 0.195565 MAX 0.212598 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.758 MB LDB: TIME 15900.9 LOAD: AVG 0.195565 MAX 0.212598 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.758 MB LDB: ============== END OF LOAD BALANCING =============== 15900.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15900.9 PRESSURE: 4932400 -42.6132 4.89217 -157.643 4.89261 54.9663 147.993 -157.642 147.991 34.2206 GPRESSURE: 4932400 44.3775 -94.5252 -137.171 -31.6484 106.322 167.627 -73.7472 150.34 -2.88261 PRESSAVG: 4932400 4.93211 -44.6351 -38.5749 -44.6351 -7.70766 10.9557 -38.5748 10.9558 -10.5493 GPRESSAVG: 4932400 3.73801 -41.4061 -38.856 -43.6355 -8.0494 11.6061 -37.4279 11.0357 -8.75322 TIMING: 4932400 CPU: 15888.8, 0.00317905/step Wall: 15888.8, 0.00317905/step, 0.0596954 hours remaining, 235.906250 MB of memory in use. ENERGY: 4932400 4012.5775 20451.8983 14395.4305 236.8023 -203585.2993 2673.6231 0.0000 0.0000 51800.2728 -110014.6949 297.6969 -161814.9677 -109658.4251 297.9444 15.5246 49.2724 759020.6997 -4.4416 -4.3549 PRESSURE: 4932600 -362.027 -133.493 56.7952 -133.493 81.6673 -160.442 56.7956 -160.442 -132.884 GPRESSURE: 4932600 -251.29 -214.362 66.2011 -133.853 105.562 -90.3248 107.148 -158.306 -183.445 PRESSAVG: 4932600 7.30747 -26.0218 8.5064 -26.0218 -2.19869 8.62592 8.50642 8.62587 10.6084 GPRESSAVG: 4932600 7.02908 -26.6409 10.0706 -25.7411 -0.963819 8.88011 7.29636 9.4106 9.15192 TIMING: 4932600 CPU: 15889.4, 0.0031077/step Wall: 15889.4, 0.0031077/step, 0.0581831 hours remaining, 236.500000 MB of memory in use. ENERGY: 4932600 3973.4420 20487.7566 14566.2201 251.8485 -203160.9211 2320.4639 0.0000 0.0000 51983.2132 -109577.9767 298.7482 -161561.1900 -109216.5714 298.5676 -137.7477 -109.7244 760524.8397 5.2391 5.0724 PRESSURE: 4932800 192.662 -87.3456 -60.8958 -87.3454 118.588 118.251 -60.8957 118.251 -52.366 GPRESSURE: 4932800 169.841 -67.0888 -101.452 -75.0054 199.759 67.4868 21.9183 165.979 -15.2687 PRESSAVG: 4932800 53.8211 -23.1366 -15.8909 -23.1366 -83.0857 49.4661 -15.8909 49.4661 -14.9593 GPRESSAVG: 4932800 53.1737 -23.8821 -16.2376 -23.7729 -82.8231 47.674 -14.1027 49.1056 -14.5727 TIMING: 4932800 CPU: 15890, 0.00312477/step Wall: 15890, 0.00312477/step, 0.058329 hours remaining, 236.640625 MB of memory in use. ENERGY: 4932800 3989.9014 20373.4499 14488.2262 246.1967 -202837.8772 2348.7308 0.0000 0.0000 51914.0314 -109477.3409 298.3507 -161391.3722 -109110.9031 298.8226 86.2947 118.1104 759561.3613 -14.7413 -14.7407 PRESSURE: 4933000 -224.473 32.1799 -114.137 32.1801 -406.387 107.904 -114.137 107.904 -110.698 GPRESSURE: 4933000 -119.958 30.3518 -192.506 57.089 -409.233 49.1239 -9.5499 158.57 -102.029 PRESSAVG: 4933000 -0.654995 -24.651 19.859 -24.651 -33.3929 18.3489 19.8591 18.349 -10.0492 GPRESSAVG: 4933000 -1.18482 -25.401 18.6366 -23.0451 -32.6816 19.3324 19.59 19.6861 -9.71807 TIMING: 4933000 CPU: 15890.6, 0.00311544/step Wall: 15890.6, 0.00311544/step, 0.0579819 hours remaining, 236.640625 MB of memory in use. ENERGY: 4933000 4002.0347 20425.0055 14435.9228 233.4891 -202686.8969 2101.6025 0.0000 0.0000 52126.1569 -109362.6854 299.5697 -161488.8423 -108993.3980 299.5796 -247.1859 -210.4066 760753.2535 -14.6990 -14.5282 PRESSURE: 4933200 239.607 48.0987 -99.8911 48.0985 -66.0382 70.3923 -99.8917 70.392 -628.397 GPRESSURE: 4933200 286.793 70.2891 -11.0489 178.132 -70.0637 -35.2129 -4.19344 136.883 -596.47 PRESSAVG: 4933200 48.1213 -14.8986 -64.1677 -14.8985 -42.9208 39.5919 -64.1677 39.592 3.688 GPRESSAVG: 4933200 47.6177 -12.8184 -63.4167 -16.2413 -43.9695 39.3646 -65.4381 37.4716 4.50486 TIMING: 4933200 CPU: 15891.2, 0.00310149/step Wall: 15891.2, 0.00310149/step, 0.0575499 hours remaining, 236.640625 MB of memory in use. ENERGY: 4933200 3994.6818 20605.4573 14419.5412 264.6038 -203312.7685 2525.5421 0.0000 0.0000 52136.4546 -109366.4878 299.6289 -161502.9424 -109013.5512 299.4639 -151.6095 -126.5801 761672.8109 2.9628 2.7177 PRESSURE: 4933400 -345.54 37.4346 29.275 37.4356 -414.013 155.974 29.2757 155.974 -288.26 GPRESSURE: 4933400 -251.445 -19.5887 -7.40529 115.206 -434.793 93.4384 -1.08714 80.8319 -279.279 PRESSAVG: 4933400 13.8247 -11.3282 -16.4496 -11.3281 -27.4152 -24.6979 -16.4496 -24.698 -18.9808 GPRESSAVG: 4933400 15.1885 -12.6673 -18.6923 -10.9739 -28.2934 -24.1868 -14.9408 -24.0672 -19.6751 TIMING: 4933400 CPU: 15891.9, 0.00311547/step Wall: 15891.9, 0.00311547/step, 0.0576362 hours remaining, 236.640625 MB of memory in use. ENERGY: 4933400 4028.0283 20621.4174 14531.7526 242.0115 -202925.7414 2256.2936 0.0000 0.0000 51884.9262 -109361.3118 298.1834 -161246.2380 -109000.7808 299.1193 -349.2707 -321.8389 760744.8628 -10.8571 -10.9266 PRESSURE: 4933600 -123.54 72.1911 12.7859 72.1917 -72.8936 15.6705 12.7852 15.6704 -564.694 GPRESSURE: 4933600 -59.1979 106.083 27.7617 161.972 -61.8836 15.4715 -25.084 135.778 -571.699 PRESSAVG: 4933600 31.9132 -13.2127 -19.7307 -13.2127 -19.3505 0.355637 -19.7307 0.35569 4.54173 GPRESSAVG: 4933600 31.5401 -14.6217 -17.5057 -10.706 -18.2952 1.44768 -19.246 0.972012 4.13836 TIMING: 4933600 CPU: 15892.5, 0.00311487/step Wall: 15892.5, 0.00311487/step, 0.057452 hours remaining, 236.640625 MB of memory in use. ENERGY: 4933600 4038.4203 20547.2062 14460.7513 244.1621 -202720.8295 2247.9774 0.0000 0.0000 52019.1179 -109163.1943 298.9546 -161182.3123 -108802.1382 299.3993 -253.7093 -230.9267 763355.3929 5.7015 5.7944 PRESSURE: 4933800 7.55678 103.548 -43.2952 103.548 -298.068 -2.81331 -43.2955 -2.81274 88.913 GPRESSURE: 4933800 53.4555 90.5496 -28.6197 138.387 -146.077 6.17807 76.7074 26.0335 -35.2356 PRESSAVG: 4933800 -24.6344 -34.0469 2.48798 -34.0469 2.68744 12.0958 2.488 12.0958 2.38053 GPRESSAVG: 4933800 -24.5544 -31.2913 3.80282 -35.2804 2.0885 10.0965 2.03 10.8181 2.95741 TIMING: 4933800 CPU: 15893.1, 0.00312352/step Wall: 15893.1, 0.00312352/step, 0.0574381 hours remaining, 236.640625 MB of memory in use. ENERGY: 4933800 4059.3278 20469.7525 14510.5485 237.6947 -203107.9596 2425.0708 0.0000 0.0000 52153.3392 -109252.2261 299.7260 -161405.5653 -108874.7944 299.6430 -67.1993 -42.6191 761367.2469 -6.5221 -6.5028 PRESSURE: 4934000 -85.5825 -246.489 1.91299 -246.488 159.12 84.0837 1.91278 84.083 235.736 GPRESSURE: 4934000 -19.4895 -330.136 -63.1137 -198.859 124.323 74.4599 -39.177 21.691 301.573 PRESSAVG: 4934000 10.5327 -9.7116 -24.1906 -9.71157 10.7989 -47.3808 -24.1906 -47.3808 13.3482 GPRESSAVG: 4934000 9.84809 -12.2387 -26.2075 -10.5138 12.1468 -46.9712 -24.4763 -45.8437 12.8702 TIMING: 4934000 CPU: 15893.7, 0.00311455/step Wall: 15893.7, 0.00311455/step, 0.0571001 hours remaining, 236.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4934000 4033.2015 20527.5043 14497.1085 253.2406 -203435.1970 2925.9715 0.0000 0.0000 51830.6473 -109367.5232 297.8714 -161198.1705 -109010.6164 299.1629 103.0911 135.4688 761837.0061 11.5599 11.6217 PRESSURE: 4934200 142.145 -28.0183 -4.87636 -28.0178 -72.6217 26.7895 -4.87679 26.7887 140.987 GPRESSURE: 4934200 144.252 -16.1454 59.4915 36.2557 9.92696 16.0458 -129.643 6.12921 172.405 PRESSAVG: 4934200 1.56232 -21.6646 -18.8416 -21.6646 49.792 -67.2092 -18.8416 -67.2092 -2.07859 GPRESSAVG: 4934200 1.26549 -19.8027 -18.405 -21.0503 49.5003 -67.904 -20.5768 -68.9937 -1.53793 TIMING: 4934200 CPU: 15894.4, 0.00311568/step Wall: 15894.4, 0.00311568/step, 0.0569477 hours remaining, 236.640625 MB of memory in use. ENERGY: 4934200 4062.0341 20386.9247 14529.9227 259.8021 -203071.5763 2540.2617 0.0000 0.0000 52070.2887 -109222.3424 299.2487 -161292.6310 -108861.2995 299.4403 70.1701 108.8613 762866.5248 16.4253 16.4093 PRESSURE: 4934400 -2.68767 -34.3318 -361.359 -34.3322 -227.014 163.117 -361.36 163.117 -1.06019 GPRESSURE: 4934400 70.5913 -53.2447 -352.05 51.7312 -112.353 93.193 -323.504 21.82 -86.769 PRESSAVG: 4934400 13.0834 -34.4105 -64.5534 -34.4105 -23.074 -3.73765 -64.5534 -3.73767 12.5097 GPRESSAVG: 4934400 13.1952 -33.9309 -63.6758 -35.998 -22.571 -3.07321 -65.7493 -3.27131 11.4842 TIMING: 4934400 CPU: 15895, 0.00310163/step Wall: 15895, 0.00310163/step, 0.0565186 hours remaining, 236.640625 MB of memory in use. ENERGY: 4934400 3939.3486 20551.5271 14451.9466 265.0512 -202897.9867 2299.7452 0.0000 0.0000 52192.5361 -109197.8321 299.9512 -161390.3681 -108832.0272 299.0624 -76.9208 -42.8437 763155.0601 0.8397 0.7028 PRESSURE: 4934600 -106.715 114.325 -102.41 114.323 -69.223 -28.5825 -102.409 -28.5831 248.225 GPRESSURE: 4934600 -87.4554 100.095 -86.088 -17.771 -37.8515 0.233257 -210.966 -80.6665 275.318 PRESSAVG: 4934600 -5.36348 0.553874 -106.526 0.553827 -16.1086 -30.8104 -106.525 -30.8104 0.315175 GPRESSAVG: 4934600 -4.18481 -0.652033 -107.447 0.931072 -17.6468 -29.724 -106.476 -30.3736 0.711372 TIMING: 4934600 CPU: 15895.6, 0.00311402/step Wall: 15895.6, 0.00311402/step, 0.0565713 hours remaining, 236.640625 MB of memory in use. ENERGY: 4934600 3947.1217 20470.4369 14447.3867 246.0659 -202959.5975 2394.6163 0.0000 0.0000 52266.5733 -109187.3966 300.3767 -161453.9698 -108815.9951 299.5943 24.0957 50.0037 762604.5554 -7.0523 -7.0401 PRESSURE: 4934800 -90.9921 -11.3661 7.17746 -11.3653 132.976 -78.6887 7.1776 -78.688 -4.92476 GPRESSURE: 4934800 -40.013 3.84791 -38.399 -92.6262 131.335 -76.6584 127.164 -71.253 15.2671 PRESSAVG: 4934800 -22.729 -33.7431 -31.1634 -33.7431 61.3807 4.68222 -31.1635 4.6824 27.8629 GPRESSAVG: 4934800 -22.2636 -32.5426 -31.2345 -32.1328 61.2994 2.58602 -29.4735 4.28444 27.384 TIMING: 4934800 CPU: 15896.2, 0.0031251/step Wall: 15896.2, 0.0031251/step, 0.056599 hours remaining, 236.640625 MB of memory in use. ENERGY: 4934800 3965.8108 20425.8960 14482.4457 261.9638 -203272.3699 2338.9228 0.0000 0.0000 52233.0028 -109564.3280 300.1838 -161797.3308 -109183.3955 299.5953 12.3531 35.5298 763616.1302 22.1715 22.1399 PRESSURE: 4935000 341.03 -154.782 110.305 -154.782 46.187 49.5936 110.306 49.5935 126.737 GPRESSURE: 4935000 441.18 -185.061 135.496 -212.951 73.0105 66.7347 126.088 24.3616 87.6171 PRESSAVG: 4935000 0.431134 -28.2375 -51.5088 -28.2375 8.85852 -52.8114 -51.5088 -52.8113 -0.628936 GPRESSAVG: 4935000 0.377969 -29.2557 -52.545 -28.9272 9.24774 -52.1773 -50.2054 -52.3463 -0.143211 TIMING: 4935000 CPU: 15896.9, 0.00313232/step Wall: 15896.9, 0.00313232/step, 0.0565558 hours remaining, 236.640625 MB of memory in use. ENERGY: 4935000 4061.7600 20601.0901 14497.4976 247.3296 -203693.7536 2611.6913 0.0000 0.0000 51993.0815 -109681.3036 298.8050 -161674.3850 -109315.8949 298.4916 171.3178 200.6025 760683.7493 2.8869 3.1608 PRESSURE: 4935200 38.7775 -99.3756 214.697 -99.3759 -6.79278 -44.6834 214.698 -44.6831 -81.6779 GPRESSURE: 4935200 2.10067 -26.1972 236.5 -191.395 0.057996 -94.9502 2.70943 9.95981 41.9231 PRESSAVG: 4935200 -26.1284 1.5961 19.1866 1.59613 26.4503 -21.2521 19.1867 -21.2521 7.67059 GPRESSAVG: 4935200 -27.207 3.82469 20.6058 0.337915 27.4436 -20.9804 16.798 -22.1865 7.53211 TIMING: 4935200 CPU: 15897.5, 0.00312612/step Wall: 15897.5, 0.00312612/step, 0.0562701 hours remaining, 236.640625 MB of memory in use. ENERGY: 4935200 3933.8147 20399.5035 14533.2717 245.6339 -203397.0867 2703.9505 0.0000 0.0000 51842.8549 -109738.0576 297.9416 -161580.9124 -109377.7319 298.4013 -16.5644 14.6939 763044.8673 2.6642 2.5896 PRESSURE: 4935400 -12.364 135.587 -121.733 135.587 -140.731 104.667 -121.733 104.667 -90.9296 GPRESSURE: 4935400 149.145 154.186 -38.0671 73.2516 -212.85 -7.84342 16.8113 84.8059 -88.0632 PRESSAVG: 4935400 -30.6857 69.145 21.3917 69.145 -0.135885 13.4127 21.3917 13.4127 7.79889 GPRESSAVG: 4935400 -29.4012 66.5771 19.0661 71.2143 -1.95713 14.0802 22.9303 14.4006 8.12081 TIMING: 4935400 CPU: 15898.1, 0.00312388/step Wall: 15898.1, 0.00312388/step, 0.0560564 hours remaining, 236.640625 MB of memory in use. ENERGY: 4935400 4014.9916 20477.5996 14520.0035 262.1539 -203316.1585 2493.6023 0.0000 0.0000 51852.5707 -109695.2370 297.9974 -161547.8077 -109331.7441 297.6577 -81.3415 -50.5896 763113.4615 -7.6742 -7.7459 PRESSURE: 4935600 32.1283 -212.852 4.4347 -212.852 173.818 58.3114 4.43485 58.3121 -95.6197 GPRESSURE: 4935600 105.912 -162.787 -40.766 -146.002 245.905 153.199 -13.7155 -32.1472 -154.306 PRESSAVG: 4935600 -17.9483 8.8515 6.45544 8.85147 7.90108 -59.6338 6.45547 -59.6338 6.60656 GPRESSAVG: 4935600 -19.25 9.5693 7.98381 7.41863 9.68187 -58.6706 5.93147 -57.561 5.8073 TIMING: 4935600 CPU: 15898.7, 0.00310402/step Wall: 15898.7, 0.00310402/step, 0.0555275 hours remaining, 236.640625 MB of memory in use. ENERGY: 4935600 3948.5747 20443.6678 14499.7294 242.8955 -203699.1928 2718.5533 0.0000 0.0000 52066.6505 -109779.1216 299.2278 -161845.7720 -109420.1931 298.6409 36.7755 65.8371 761216.5978 -1.1469 -1.2536 PRESSURE: 4935800 165.348 45.1719 63.1555 45.1723 308.42 -50.5153 63.1555 -50.515 293.485 GPRESSURE: 4935800 183.32 69.3576 81.1889 158.364 275.063 -47.5051 60.8943 -6.4566 402.415 PRESSAVG: 4935800 -18.543 -18.892 -22.1375 -18.8921 0.357507 18.6709 -22.1375 18.671 3.40286 GPRESSAVG: 4935800 -18.1841 -20.0529 -21.5335 -16.4816 -0.0719791 16.3128 -22.7544 18.3338 3.11271 TIMING: 4935800 CPU: 15899.3, 0.00311363/step Wall: 15899.3, 0.00311363/step, 0.0555264 hours remaining, 236.640625 MB of memory in use. ENERGY: 4935800 4027.6252 20527.0137 14429.5875 228.0135 -203349.1508 2574.5858 0.0000 0.0000 51708.4183 -109853.9068 297.1690 -161562.3251 -109494.9977 298.3190 255.7510 286.9327 760880.5065 -4.9275 -5.0478 PRESSURE: 4936000 -314.632 -136.9 52.2878 -136.9 55.7225 154.14 52.2891 154.14 -377.097 GPRESSURE: 4936000 -257.864 -135.362 42.6194 -63.535 13.4916 178.402 50.2111 148.494 -329.639 PRESSAVG: 4936000 -39.0337 -31.0537 17.0229 -31.0537 22.4922 4.18138 17.0229 4.18144 29.9426 GPRESSAVG: 4936000 -38.5285 -31.8795 15.8447 -32.6577 21.2018 4.85837 21.0304 2.72212 30.6567 TIMING: 4936000 CPU: 15900, 0.00312473/step Wall: 15900, 0.00312473/step, 0.0555508 hours remaining, 236.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4936000 4063.6986 20655.4701 14502.9170 251.7437 -203298.3676 2289.4314 0.0000 0.0000 51917.3602 -109617.7466 298.3698 -161535.1068 -109265.7941 298.3437 -212.0022 -191.3371 762547.2382 4.4670 4.4433 PRESSURE: 4936200 -43.3176 -111.792 210.669 -111.791 -58.996 -34.2878 210.669 -34.2883 -59.247 GPRESSURE: 4936200 -92.0986 -160.144 202.615 -99.0387 51.836 -24.9119 174.812 29.2531 -29.0983 PRESSAVG: 4936200 -17.5981 -55.4959 -1.30973 -55.4959 49.2403 36.21 -1.30973 36.2099 4.89556 GPRESSAVG: 4936200 -17.6971 -54.0821 -0.366655 -56.1429 50.5185 35.8589 -5.40869 35.9086 4.2919 TIMING: 4936200 CPU: 15900.6, 0.00310978/step Wall: 15900.6, 0.00310978/step, 0.0551123 hours remaining, 236.640625 MB of memory in use. ENERGY: 4936200 3992.2967 20682.5377 14526.2285 235.8920 -203113.0609 2268.6502 0.0000 0.0000 51885.9044 -109521.5513 298.1890 -161407.4557 -109163.0734 299.3986 -53.8536 -23.1203 761365.2398 12.1792 12.3711 LDB: ============= START OF LOAD BALANCING ============== 15913 LDB: ============== END OF LOAD BALANCING =============== 15913 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15913 LDB: ============= START OF LOAD BALANCING ============== 15913.3 LDB: Largest compute 7075 load 0.035560 is 18.2% of average load 0.195595 LDB: Average compute 0.004395 is 2.2% of average load 0.195595 LDB: TIME 15913.3 LOAD: AVG 0.195595 MAX 0.216519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.316 MB LDB: TIME 15913.3 LOAD: AVG 0.195595 MAX 0.216519 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.52 MB LDB: TIME 15913.3 LOAD: AVG 0.195595 MAX 0.216519 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.52 MB LDB: ============== END OF LOAD BALANCING =============== 15913.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15913.3 PRESSURE: 4936400 -104.476 -50.0548 -112.074 -50.0543 -139.976 -16.9601 -112.074 -16.9596 -53.2572 GPRESSURE: 4936400 -30.9012 17.2292 -95.3276 -111.525 -112.941 -41.3928 -92.778 51.4238 -82.4342 PRESSAVG: 4936400 28.0223 17.9112 21.7523 17.9112 37.8283 33.0229 21.7522 33.0229 29.3761 GPRESSAVG: 4936400 28.4965 18.5154 20.6573 16.52 37.6237 33.1324 20.8945 32.5929 29.1155 TIMING: 4936400 CPU: 15901.2, 0.00317653/step Wall: 15901.2, 0.00317653/step, 0.0561186 hours remaining, 235.445312 MB of memory in use. ENERGY: 4936400 4032.5002 20624.5751 14486.4285 231.2867 -203491.5332 2508.3852 0.0000 0.0000 51971.2697 -109637.0877 298.6796 -161608.3574 -109286.9339 298.4660 -99.2365 -75.4256 760518.4176 31.7422 31.7452 PRESSURE: 4936600 -95.6854 46.2741 -61.2711 46.2745 102.795 -126.463 -61.2712 -126.463 518.782 GPRESSURE: 4936600 -93.738 69.7582 -93.7289 101.327 120.878 -153.648 41.615 -133.108 582.215 PRESSAVG: 4936600 18.3661 -41.1183 -28.6383 -41.1182 -59.4682 39.9273 -28.6383 39.9273 -4.08561 GPRESSAVG: 4936600 18.2633 -40.785 -27.6437 -40.0649 -59.8063 39.1397 -26.061 41.5593 -3.51401 TIMING: 4936600 CPU: 15901.9, 0.00313145/step Wall: 15901.9, 0.00313145/step, 0.0551483 hours remaining, 235.972656 MB of memory in use. ENERGY: 4936600 3953.2462 20596.2494 14499.7044 242.4060 -203492.4847 2425.6249 0.0000 0.0000 51935.1073 -109840.1464 298.4718 -161775.2537 -109480.4632 298.9322 175.2971 203.1184 760346.8536 -15.0626 -15.0190 PRESSURE: 4936800 229.431 -53.8152 59.318 -53.8156 91.1328 104.538 59.3176 104.537 -353.754 GPRESSURE: 4936800 255.822 111.348 91.6963 -95.7758 86.0667 102.029 34.8214 128.389 -271.259 PRESSAVG: 4936800 40.1261 -50.5144 -19.6293 -50.5143 -36.0108 -10.7392 -19.6293 -10.7391 -4.08303 GPRESSAVG: 4936800 41.4612 -50.1502 -19.4688 -50.5265 -36.6813 -11.4101 -21.4922 -10.6381 -4.69305 TIMING: 4936800 CPU: 15902.5, 0.00311062/step Wall: 15902.5, 0.00311062/step, 0.0546087 hours remaining, 235.972656 MB of memory in use. ENERGY: 4936800 3995.8345 20650.9191 14518.1543 250.2207 -203627.7842 2609.7144 0.0000 0.0000 51719.0948 -109883.8464 297.2303 -161602.9412 -109533.8119 298.5975 -11.0634 23.5434 759605.4147 0.0108 0.0289 PRESSURE: 4937000 319.755 36.5803 121.331 36.5808 -26.1674 143.232 121.331 143.232 -102.063 GPRESSURE: 4937000 403.007 33.1858 140.301 83.4441 14.822 133.385 33.3325 96.5838 -143.213 PRESSAVG: 4937000 33.8039 27.1189 -15.8625 27.1189 -17.8061 39.4535 -15.8625 39.4536 -19.1581 GPRESSAVG: 4937000 32.5294 24.499 -14.4424 27.1577 -16.2724 40.1842 -15.407 37.9198 -19.3655 TIMING: 4937000 CPU: 15903.1, 0.00310477/step Wall: 15903.1, 0.00310477/step, 0.0543335 hours remaining, 236.171875 MB of memory in use. ENERGY: 4937000 3946.7410 20646.2322 14436.5787 262.4188 -203916.8619 2684.0204 0.0000 0.0000 51835.8813 -110104.9896 297.9015 -161940.8708 -109750.3885 298.1598 63.8418 91.5387 758841.0460 -1.0534 -1.0362 PRESSURE: 4937200 -137.853 -192.73 -337.051 -192.73 -83.1408 -91.644 -337.052 -91.6436 -177.379 GPRESSURE: 4937200 -96.0234 -254.279 -329.823 -161.373 -22.8864 2.01025 -259.023 -84.403 -196.47 PRESSAVG: 4937200 28.5276 -14.0763 -19.4685 -14.0763 -4.67642 -7.1284 -19.4686 -7.12835 -13.1714 GPRESSAVG: 4937200 29.4409 -12.6117 -20.368 -13.4591 -5.82285 -5.37682 -19.2653 -6.62348 -13.5439 TIMING: 4937200 CPU: 15903.7, 0.00311733/step Wall: 15903.7, 0.00311733/step, 0.0543801 hours remaining, 236.171875 MB of memory in use. ENERGY: 4937200 4068.0226 20528.0320 14471.2324 234.8679 -203790.9139 2601.9029 0.0000 0.0000 52144.4621 -109742.3940 299.6749 -161886.8562 -109370.2792 298.2965 -132.7909 -105.1266 761560.5030 3.5599 3.3580 PRESSURE: 4937400 -356.931 9.71181 -322.084 9.71139 -136.395 15.6334 -322.084 15.6335 -168.182 GPRESSURE: 4937400 -277.625 -25.6876 -245.819 61.5191 -140.155 64.1478 -290.568 17.2526 -155.416 PRESSAVG: 4937400 -7.7799 -7.44517 -45.539 -7.44513 40.619 36.6782 -45.5389 36.6783 -18.0591 GPRESSAVG: 4937400 -7.69866 -5.28798 -45.4281 -7.15138 40.7587 35.7266 -42.9955 34.6606 -17.8891 TIMING: 4937400 CPU: 15904.3, 0.00311274/step Wall: 15904.3, 0.00311274/step, 0.0541271 hours remaining, 236.171875 MB of memory in use. ENERGY: 4937400 4014.7802 20586.1733 14449.5033 247.9555 -203643.1374 2530.9253 0.0000 0.0000 52053.4820 -109760.3179 299.1521 -161813.7999 -109397.3116 299.4703 -220.5026 -191.0653 761334.2103 4.9266 5.0570 PRESSURE: 4937600 -112.808 -116.425 -54.6544 -116.426 -90.3848 -39.5643 -54.6551 -39.5647 -412.447 GPRESSURE: 4937600 -36.1709 -111.79 -140.716 -166.22 -42.3882 16.1004 -127.299 -28.8723 -455.209 PRESSAVG: 4937600 9.12654 25.5005 2.79954 25.5006 5.29619 -29.7739 2.79952 -29.7739 -0.302827 GPRESSAVG: 4937600 8.93368 23.7036 2.29215 24.9994 5.37781 -31.4738 0.0789125 -25.7179 0.207633 TIMING: 4937600 CPU: 15905, 0.00310385/step Wall: 15905, 0.00310385/step, 0.0538001 hours remaining, 236.171875 MB of memory in use. ENERGY: 4937600 4027.0714 20434.7859 14484.0870 248.8082 -203343.2392 2307.9885 0.0000 0.0000 51960.3561 -109880.1422 298.6169 -161840.4983 -109527.4438 298.7863 -205.2133 -177.9228 760394.4237 4.7066 4.8397 PRESSURE: 4937800 596.602 -151.121 -105.726 -151.121 412.29 50.4848 -105.726 50.4841 311.314 GPRESSURE: 4937800 584.901 -171.611 -115.839 -41.1403 481.504 13.5824 50.6626 57.5221 318.043 PRESSAVG: 4937800 -25.1148 -26.8775 -6.56449 -26.8775 -2.80025 1.40513 -6.56452 1.40511 15.2312 GPRESSAVG: 4937800 -25.8467 -27.456 -6.0832 -25.6216 -2.91189 1.57868 -5.4169 0.148352 15.5471 TIMING: 4937800 CPU: 15905.6, 0.00311136/step Wall: 15905.6, 0.00311136/step, 0.0537574 hours remaining, 236.171875 MB of memory in use. ENERGY: 4937800 3958.6666 20547.7855 14477.1577 233.3468 -204028.7017 2900.5301 0.0000 0.0000 51869.0785 -110042.1366 298.0923 -161911.2150 -109678.3712 298.3250 440.0688 461.4827 760229.9495 -4.2280 -4.4038 PRESSURE: 4938000 -605.15 43.8614 -162.707 43.8611 -437.334 97.3966 -162.707 97.3958 -178.932 GPRESSURE: 4938000 -519.428 10.3417 -124.158 66.2032 -425.011 125.14 -182.341 64.3909 -192.836 PRESSAVG: 4938000 -32.9573 -44.7064 -1.40632 -44.7065 27.8874 -38.4512 -1.40636 -38.4512 17.1495 GPRESSAVG: 4938000 -32.5916 -44.5778 -3.28188 -45.0884 28.3507 -37.0947 0.394918 -40.2973 16.5932 TIMING: 4938000 CPU: 15906.2, 0.00310522/step Wall: 15906.2, 0.00310522/step, 0.0534789 hours remaining, 236.171875 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: 4938000 3944.7686 20578.2374 14448.9532 228.9092 -203329.9833 2267.8202 0.0000 0.0000 52115.7101 -109745.5846 299.5097 -161861.2947 -109376.9209 297.7536 -407.1386 -379.0919 763033.4932 4.0265 4.1174 PRESSURE: 4938200 -183.211 108.111 174.979 108.11 22.2873 95.33 174.979 95.3304 107.732 GPRESSURE: 4938200 -47.5208 130.779 85.8027 61.2677 13.4845 43.3327 35.1136 84.741 74.6935 PRESSAVG: 4938200 10.6714 -57.569 -1.98743 -57.5691 0.545244 0.798828 -1.98744 0.798853 3.65653 GPRESSAVG: 4938200 11.3521 -54.8599 -1.04407 -57.7029 -0.866354 -1.04065 -2.32067 -0.135758 4.17856 TIMING: 4938200 CPU: 15906.8, 0.00311023/step Wall: 15906.8, 0.00311022/step, 0.0533922 hours remaining, 236.171875 MB of memory in use. ENERGY: 4938200 4068.6120 20419.6033 14481.1724 229.6552 -203800.9274 2670.8468 0.0000 0.0000 52067.8141 -109863.2236 299.2344 -161931.0377 -109494.5434 299.0205 -17.7306 13.5524 759538.2157 4.9577 4.8881 PRESSURE: 4938400 -392.042 308.368 197.157 308.368 -470.915 121.797 197.156 121.798 -158.662 GPRESSURE: 4938400 -346.562 429.724 181.987 207.868 -378.302 76.4011 188.286 29.4748 -205.812 PRESSAVG: 4938400 6.2819 -8.89634 8.80522 -8.89638 1.73266 -17.1611 8.80519 -17.1611 36.3913 GPRESSAVG: 4938400 6.2421 -9.22831 8.03856 -10.0199 2.74456 -15.1975 9.71013 -16.8449 35.6434 TIMING: 4938400 CPU: 15907.5, 0.00312007/step Wall: 15907.5, 0.00312007/step, 0.0533879 hours remaining, 236.171875 MB of memory in use. ENERGY: 4938400 4008.3955 20485.4981 14421.1387 240.3442 -203422.6862 2446.3748 0.0000 0.0000 51906.4565 -109914.4784 298.3071 -161820.9349 -109559.0753 298.5235 -340.5398 -310.2254 760572.0535 14.8019 14.8767 PRESSURE: 4938600 -51.4638 -19.6698 -177.173 -19.6705 -36.666 -174.32 -177.172 -174.319 -196.243 GPRESSURE: 4938600 4.05131 -98.141 -99.549 6.023 28.9265 -163.021 -177.097 -111.721 -224.722 PRESSAVG: 4938600 -25.046 -55.3588 41.3657 -55.3587 20.8627 1.62258 41.3657 1.62262 -10.7413 GPRESSAVG: 4938600 -24.5388 -55.3594 42.2927 -54.9888 21.5052 0.560986 39.4578 1.1906 -11.2526 TIMING: 4938600 CPU: 15908.1, 0.00311438/step Wall: 15908.1, 0.00311438/step, 0.0531175 hours remaining, 236.242188 MB of memory in use. ENERGY: 4938600 3930.7797 20609.8719 14481.4614 258.0400 -203216.0474 2430.6653 0.0000 0.0000 51703.2517 -109801.9774 297.1393 -161505.2291 -109443.9055 298.6159 -94.7910 -63.9148 761148.4793 -4.9749 -4.7621 PRESSURE: 4938800 -211.372 -30.3728 -116.876 -30.3726 -69.4663 151.636 -116.876 151.636 126.122 GPRESSURE: 4938800 -141.042 61.7949 -64.272 -112.359 -59.5708 51.3893 -180.626 82.9578 128.244 PRESSAVG: 4938800 19.3147 -41.427 1.50479 -41.4269 5.64753 -6.35138 1.50477 -6.35135 0.0915609 GPRESSAVG: 4938800 19.6215 -40.7224 0.917004 -43.3897 5.47001 -4.55879 0.7264 -6.50316 0.436972 TIMING: 4938800 CPU: 15908.7, 0.00312377/step Wall: 15908.7, 0.00312377/step, 0.053104 hours remaining, 236.242188 MB of memory in use. ENERGY: 4938800 4001.6321 20531.7670 14456.4598 237.0868 -203405.9139 2446.7999 0.0000 0.0000 51877.2093 -109854.9590 298.1390 -161732.1682 -109506.3734 298.4385 -51.5724 -24.1229 761289.3226 8.3513 8.5095 PRESSURE: 4939000 81.1544 -116.839 -188.743 -116.839 13.7338 196.997 -188.744 196.996 -47.6948 GPRESSURE: 4939000 76.3746 -44.6821 -303.133 -63.7198 78.8924 111.019 1.67808 13.4773 -16.1764 PRESSAVG: 4939000 -15.6704 -1.75093 -27.65 -1.75093 48.6075 25.8972 -27.65 25.8973 12.6637 GPRESSAVG: 4939000 -17.7642 -2.47422 -27.8982 -0.208126 48.0716 23.3265 -26.2778 25.9206 14.2379 TIMING: 4939000 CPU: 15909.3, 0.00312118/step Wall: 15909.3, 0.00312118/step, 0.0528867 hours remaining, 236.242188 MB of memory in use. ENERGY: 4939000 3936.7572 20506.3780 14510.0561 266.6546 -203608.1005 2779.2890 0.0000 0.0000 51707.9349 -109901.0307 297.1662 -161608.9656 -109536.9191 298.2986 15.7311 46.3635 760837.1064 15.2002 14.8484 PRESSURE: 4939200 -274.897 -214.401 12.1192 -214.403 -143.819 187.365 12.1195 187.364 -404.586 GPRESSURE: 4939200 -259.173 -209.197 -54.6795 -145.26 -162.655 158.303 -14.5615 285.426 -318.221 PRESSAVG: 4939200 -7.80108 -3.12653 -16.3342 -3.12654 51.7034 38.9971 -16.3342 38.9972 4.23765 GPRESSAVG: 4939200 -7.01147 -3.52115 -16.283 -3.35544 52.2163 40.9323 -14.5155 40.2328 3.53414 TIMING: 4939200 CPU: 15909.9, 0.00311059/step Wall: 15909.9, 0.00311059/step, 0.0525344 hours remaining, 236.242188 MB of memory in use. ENERGY: 4939200 4021.3686 20470.3893 14534.5275 229.6644 -203302.1307 2370.7088 0.0000 0.0000 51884.3577 -109791.1145 298.1801 -161675.4722 -109421.1325 298.2420 -274.4340 -246.6830 759567.8558 16.0466 16.2463 PRESSURE: 4939400 204.751 3.8399 -148.046 3.83991 206.023 -275.296 -148.045 -275.297 119.892 GPRESSURE: 4939400 327.129 -15.6261 -94.8519 21.0776 176.178 -344.358 -176.333 -167.785 113.9 PRESSAVG: 4939400 -3.49764 -29.2259 -40.7327 -29.2259 60.9101 14.6022 -40.7327 14.6023 6.50078 GPRESSAVG: 4939400 -3.43702 -29.311 -40.3066 -28.3904 60.3948 15.2355 -44.633 13.3707 6.56436 TIMING: 4939400 CPU: 15910.6, 0.00312361/step Wall: 15910.6, 0.00312361/step, 0.0525807 hours remaining, 236.242188 MB of memory in use. ENERGY: 4939400 4048.3425 20544.2460 14452.3805 245.7252 -203742.7335 2669.2418 0.0000 0.0000 51984.1294 -109798.6682 298.7535 -161782.7975 -109438.1271 298.8318 176.8886 205.7355 758706.5175 21.3044 21.1740 PRESSURE: 4939600 281.406 4.60368 131.548 4.60317 -153.767 98.2202 131.547 98.2193 430.913 GPRESSURE: 4939600 272.073 -44.0775 203.784 -57.8084 -91.0348 117.771 -11.2931 210.617 458.488 PRESSAVG: 4939600 22.6929 -47.5127 11.5611 -47.5127 26.315 36.6609 11.561 36.6609 2.91935 GPRESSAVG: 4939600 23.2942 -47.5819 10.6852 -46.7973 26.9962 36.6023 13.9956 38.5667 2.2328 TIMING: 4939600 CPU: 15911.2, 0.00311238/step Wall: 15911.2, 0.00311238/step, 0.0522188 hours remaining, 236.242188 MB of memory in use. ENERGY: 4939600 3949.8103 20686.7603 14477.2932 256.1257 -203469.1578 2581.4069 0.0000 0.0000 51610.2881 -109907.4732 296.6050 -161517.7613 -109555.9326 298.2950 186.1840 213.1756 759888.9688 17.3091 17.5077 PRESSURE: 4939800 59.6392 61.9139 10.5946 61.9138 446.28 -198.118 10.5945 -198.117 462.603 GPRESSURE: 4939800 173.086 -13.2194 105.871 36.2331 419.729 -146.262 -78.523 -78.317 476.834 PRESSAVG: 4939800 -35.8555 -9.81529 -4.3549 -9.81529 7.69043 9.87787 -4.35489 9.87782 -0.600962 GPRESSAVG: 4939800 -35.6104 -12.2385 -3.67641 -9.85605 7.39672 8.48456 -5.89273 10.2019 -0.982802 TIMING: 4939800 CPU: 15911.8, 0.00310372/step Wall: 15911.8, 0.00310372/step, 0.051901 hours remaining, 236.242188 MB of memory in use. ENERGY: 4939800 3986.4165 20607.1710 14390.7973 264.3328 -203950.4499 2859.8590 0.0000 0.0000 52156.4300 -109685.4433 299.7437 -161841.8733 -109323.2901 298.9317 322.8409 356.5496 760350.6788 -9.5887 -9.7322 PRESSURE: 4940000 216.447 60.7887 10.778 60.7886 150.98 -58.564 10.7773 -58.5643 94.9481 GPRESSURE: 4940000 237.577 101.903 16.5401 158.498 148.026 -42.9783 7.86241 -6.97056 180.635 PRESSAVG: 4940000 -17.4767 46.6674 -10.5091 46.6674 41.0309 33.813 -10.5091 33.8129 6.09839 GPRESSAVG: 4940000 -17.8712 48.7065 -10.8802 46.2855 40.4741 34.354 -11.3915 33.2072 7.05776 TIMING: 4940000 CPU: 15912.4, 0.00311012/step Wall: 15912.4, 0.00311012/step, 0.0518354 hours remaining, 236.242188 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: 4940000 3992.0283 20548.6480 14457.1075 263.6066 -203431.7422 2595.3893 0.0000 0.0000 51856.4641 -109718.4985 298.0198 -161574.9626 -109368.3311 299.2153 154.1251 188.7459 761111.8239 9.8842 9.8869 PRESSURE: 4940200 127.145 137.9 107.144 137.901 83.6042 -35.7941 107.145 -35.7938 -45.3038 GPRESSURE: 4940200 142.279 146.634 157.623 61.7027 135.386 -2.35058 85.8779 62.3577 -38.2267 PRESSAVG: 4940200 23.6863 -30.9749 2.75349 -30.9749 7.27333 35.3922 2.75348 35.3923 -12.0152 GPRESSAVG: 4940200 22.3917 -31.5214 3.8925 -31.7973 8.60887 35.0149 3.6328 36.2546 -11.9656 TIMING: 4940200 CPU: 15913.1, 0.00312397/step Wall: 15913.1, 0.00312397/step, 0.0518925 hours remaining, 236.242188 MB of memory in use. ENERGY: 4940200 3948.5687 20483.9742 14518.2320 252.4231 -203072.0606 2297.1828 0.0000 0.0000 52022.8205 -109548.8593 298.9759 -161571.6798 -109180.7825 298.7533 55.1486 79.8127 761776.6069 6.3148 6.3450 LDB: ============= START OF LOAD BALANCING ============== 15925.5 LDB: ============== END OF LOAD BALANCING =============== 15925.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15925.5 LDB: ============= START OF LOAD BALANCING ============== 15925.8 LDB: Largest compute 7075 load 0.034889 is 17.8% of average load 0.195697 LDB: Average compute 0.004401 is 2.2% of average load 0.195697 LDB: TIME 15925.8 LOAD: AVG 0.195697 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.547 MB LDB: TIME 15925.8 LOAD: AVG 0.195697 MAX 0.214472 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: TIME 15925.8 LOAD: AVG 0.195697 MAX 0.214472 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: ============== END OF LOAD BALANCING =============== 15925.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15925.8 PRESSURE: 4940400 29.0168 76.0718 261.705 76.0732 -237.964 73.8392 261.705 73.8383 263.536 GPRESSURE: 4940400 -9.04543 27.71 272.433 -44.1884 -149.023 142.709 211.615 -71.8442 309.127 PRESSAVG: 4940400 17.6786 19.0363 -7.60744 19.0364 39.1448 53.6672 -7.60743 53.6672 32.54 GPRESSAVG: 4940400 16.9116 20.3474 -6.67353 18.211 40.29 53.3945 -7.85302 51.9343 32.3795 TIMING: 4940400 CPU: 15913.7, 0.00319628/step Wall: 15913.7, 0.00319628/step, 0.0529162 hours remaining, 233.910156 MB of memory in use. ENERGY: 4940400 3957.2067 20333.2957 14436.9208 250.1224 -203200.8070 2349.2895 0.0000 0.0000 51998.2983 -109875.6736 298.8349 -161873.9720 -109507.0536 298.6425 18.1964 50.3528 761026.8197 29.7878 29.8604 PRESSURE: 4940600 253.674 117.957 -97.5533 117.957 73.6146 82.965 -97.5537 82.9654 199.478 GPRESSURE: 4940600 257.057 94.8006 -203.859 170.266 147.409 116.643 5.64247 0.771642 206.175 PRESSAVG: 4940600 15.8561 -22.8168 -38.6462 -22.8169 -32.1067 -10.3239 -38.6463 -10.3238 14.8414 GPRESSAVG: 4940600 18.0845 -25.8592 -38.4963 -20.0585 -34.6171 -10.9978 -37.6101 -8.99982 15.3165 TIMING: 4940600 CPU: 15914.3, 0.00311616/step Wall: 15914.3, 0.00311616/step, 0.0514167 hours remaining, 234.167969 MB of memory in use. ENERGY: 4940600 4046.2616 20449.0405 14509.4218 232.1370 -203685.8982 2720.6934 0.0000 0.0000 52011.1499 -109717.1941 298.9088 -161728.3439 -109349.8631 298.4192 175.5887 203.5468 758849.4706 -0.4697 -0.4053 PRESSURE: 4940800 -165.03 -60.6625 113.679 -60.662 -145.653 -33.1083 113.678 -33.1077 -28.2381 GPRESSURE: 4940800 -149.451 -173.94 160.292 92.2769 -77.5989 -66.4833 172.594 34.4193 -21.0365 PRESSAVG: 4940800 53.6947 10.996 32.2045 10.996 -5.96757 14.9774 32.2045 14.9774 -5.44064 GPRESSAVG: 4940800 52.4586 13.6019 31.4345 9.19619 -4.70695 17.2726 31.3773 16.0782 -5.0867 TIMING: 4940800 CPU: 15915, 0.00312566/step Wall: 15915, 0.00312566/step, 0.0513998 hours remaining, 234.179688 MB of memory in use. ENERGY: 4940800 3953.8376 20610.0138 14597.9907 242.5640 -203478.1864 2387.4341 0.0000 0.0000 51787.8569 -109898.4893 297.6255 -161686.3462 -109539.5764 298.9808 -112.9735 -82.6955 759351.6441 14.0955 14.2217 PRESSURE: 4941000 0.281257 -239.409 -107.108 -239.409 -234.358 11.2748 -107.107 11.2747 -215.136 GPRESSURE: 4941000 69.3827 -252.167 -5.71529 -152.869 -245.813 -10.0304 -90.1528 116.727 -195.269 PRESSAVG: 4941000 38.2908 -23.5678 4.67364 -23.5678 -22.3408 24.2306 4.67356 24.2307 21.2794 GPRESSAVG: 4941000 38.3291 -25.1879 4.35791 -22.5686 -21.4384 23.1045 5.22093 22.9642 19.9705 TIMING: 4941000 CPU: 15915.6, 0.00311429/step Wall: 15915.6, 0.00311429/step, 0.0510398 hours remaining, 234.382812 MB of memory in use. ENERGY: 4941000 3948.2993 20355.4521 14419.3644 236.6630 -203525.2439 2462.4579 0.0000 0.0000 52061.1830 -110041.8243 299.1963 -162103.0073 -109679.8771 298.3425 -149.7378 -123.8996 759525.5052 12.4098 12.2871 PRESSURE: 4941200 63.0608 -152.703 -199.042 -152.703 100.13 88.4036 -199.043 88.4039 71.4167 GPRESSURE: 4941200 60.8869 -131.63 -196.479 -91.7393 178.033 -32.1527 -187.188 56.562 91.6709 PRESSAVG: 4941200 66.1715 -6.68265 24.2098 -6.68264 -32.8192 104.015 24.2098 104.015 -7.28587 GPRESSAVG: 4941200 66.4022 -4.19761 26.1753 -8.59559 -33.6369 102.717 23.5292 103.225 -6.83713 TIMING: 4941200 CPU: 15916.2, 0.00310413/step Wall: 15916.2, 0.00310413/step, 0.0507009 hours remaining, 234.382812 MB of memory in use. ENERGY: 4941200 3998.4826 20514.0566 14516.8856 251.9085 -203966.7646 2806.0938 0.0000 0.0000 51956.8309 -109922.5065 298.5966 -161879.3375 -109560.4118 298.1373 78.2026 110.1969 760102.7380 8.6888 8.6427 PRESSURE: 4941400 -78.9146 -102.85 -28.4764 -102.851 195.833 -61.0603 -28.4771 -61.0613 225.102 GPRESSURE: 4941400 -29.7773 -74.976 46.0615 -46.5041 183.259 -120.096 37.953 -65.9582 261.45 PRESSAVG: 4941400 46.9626 -61.2204 32.176 -61.2204 -43.8445 -25.7659 32.176 -25.766 39.2564 GPRESSAVG: 4941400 46.7127 -61.9213 30.3049 -60.3656 -44.0456 -24.0219 31.7435 -27.111 39.3334 TIMING: 4941400 CPU: 15916.8, 0.00311998/step Wall: 15916.8, 0.00311998/step, 0.0507863 hours remaining, 234.382812 MB of memory in use. ENERGY: 4941400 3989.9775 20611.9848 14461.8328 253.0133 -203348.0617 2436.2584 0.0000 0.0000 51711.2739 -109883.7211 297.1854 -161594.9950 -109523.3433 298.9405 114.0068 138.3107 760281.7955 14.1248 14.0002 PRESSURE: 4941600 -181.336 -67.4748 -64.9906 -67.4744 -226.603 -158.498 -64.9913 -158.498 -225.679 GPRESSURE: 4941600 -227.753 -45.7528 -32.475 -66.9216 -166.396 -89.4669 -3.41677 -192.104 -195.24 PRESSAVG: 4941600 -60.5444 41.7847 -34.8966 41.7848 31.177 24.3907 -34.8966 24.3906 3.6066 GPRESSAVG: 4941600 -60.179 39.2334 -32.4778 41.8551 31.2351 24.634 -34.4583 24.951 3.04107 TIMING: 4941600 CPU: 15917.4, 0.00311179/step Wall: 15917.4, 0.00311179/step, 0.0504802 hours remaining, 234.382812 MB of memory in use. ENERGY: 4941600 3980.4321 20608.6891 14517.9289 243.8060 -203095.3551 2108.4823 0.0000 0.0000 51884.4479 -109751.5688 298.1806 -161636.0167 -109388.1955 298.7073 -211.2062 -196.4631 761464.9929 -8.5869 -8.6343 PRESSURE: 4941800 -29.0949 100.894 80.8127 100.894 -96.3954 53.4787 80.8127 53.4798 -42.1148 GPRESSURE: 4941800 73.366 70.8161 19.4009 101.271 -176.211 36.566 86.7503 85.246 11.2486 PRESSAVG: 4941800 -12.6647 -25.7776 -47.4037 -25.7776 -10.2927 67.0322 -47.4037 67.0322 -9.78528 GPRESSAVG: 4941800 -12.4322 -23.5968 -50.3281 -24.7415 -10.2023 65.3003 -46.6575 69.0694 -10.1406 TIMING: 4941800 CPU: 15918.1, 0.00311924/step Wall: 15918.1, 0.00311924/step, 0.0504278 hours remaining, 234.382812 MB of memory in use. ENERGY: 4941800 4091.2925 20493.0031 14498.7393 252.8286 -203702.1882 2726.8355 0.0000 0.0000 51943.3440 -109696.1451 298.5191 -161639.4891 -109343.9508 299.0351 -55.8684 -30.5322 760443.5836 -10.9142 -10.9251 PRESSURE: 4942000 18.6185 -234.015 -235.516 -234.014 16.4106 59.4029 -235.516 59.4025 -94.2525 GPRESSURE: 4942000 6.07614 -246.147 -152.502 -291.001 76.0468 -7.1347 -136.536 -7.13248 -58.6139 PRESSAVG: 4942000 4.58368 28.2797 -40.2416 28.2797 -43.9277 59.0742 -40.2416 59.0741 -15.5604 GPRESSAVG: 4942000 4.71609 28.3778 -37.586 27.4112 -44.9715 58.2605 -40.6332 59.8032 -14.7578 TIMING: 4942000 CPU: 15918.7, 0.00312698/step Wall: 15918.7, 0.00312698/step, 0.0503792 hours remaining, 234.382812 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: 4942000 4084.5811 20530.6804 14494.1459 242.5839 -203880.3344 2755.4079 0.0000 0.0000 52100.0301 -109672.9051 299.4196 -161772.9352 -109323.2643 299.3834 -19.7411 7.8364 760301.0017 -18.3015 -18.3377 PRESSURE: 4942200 14.3667 211.81 -143.044 211.81 68.2739 142.61 -143.044 142.61 36.7395 GPRESSURE: 4942200 87.1136 182.082 -167.001 258.107 103.615 122.366 -177.479 174.648 14.1689 PRESSAVG: 4942200 53.4473 7.45832 -27.876 7.45831 -13.3029 35.2659 -27.876 35.2659 0.573742 GPRESSAVG: 4942200 53.2465 5.99027 -29.8209 9.22201 -13.112 36.1676 -26.5503 33.4609 0.160059 TIMING: 4942200 CPU: 15919.3, 0.00311851/step Wall: 15919.3, 0.00311851/step, 0.0500694 hours remaining, 234.382812 MB of memory in use. ENERGY: 4942200 4026.6187 20491.6534 14484.8287 251.6741 -203393.4292 2487.6082 0.0000 0.0000 52038.5528 -109612.4934 299.0663 -161651.0462 -109248.5626 299.1182 39.7934 68.2993 760219.5544 13.5727 13.4315 PRESSURE: 4942400 -126.881 -205.335 38.9861 -205.335 -43.9726 -47.4082 38.9853 -47.4069 76.0223 GPRESSURE: 4942400 -44.9596 -167.057 -3.19189 -278.371 85.4688 10.2046 30.7064 10.6395 -7.93312 PRESSAVG: 4942400 20.2379 0.142213 39.1337 0.142174 -23.5218 45.0248 39.1337 45.0249 11.4167 GPRESSAVG: 4942400 19.3403 2.30092 38.9352 -1.79839 -22.6111 46.7726 35.5498 43.876 11.5928 TIMING: 4942400 CPU: 15919.9, 0.00311983/step Wall: 15919.9, 0.00311983/step, 0.0499172 hours remaining, 234.382812 MB of memory in use. ENERGY: 4942400 3979.0521 20207.9152 14478.7333 226.6420 -203589.0892 2767.0079 0.0000 0.0000 52090.2126 -109839.5261 299.3632 -161929.7388 -109473.0310 298.7416 -31.6103 10.8587 760102.1106 2.7109 2.7740 PRESSURE: 4942600 123.166 -51.3812 -89.5303 -51.3817 44.6901 -189.504 -89.5311 -189.503 150.426 GPRESSURE: 4942600 81.1305 -25.6412 -106.27 -109.27 127.276 -148.268 -65.1995 -87.0761 207.28 PRESSAVG: 4942600 15.8724 11.4713 16.4734 11.4712 -23.5773 36.4329 16.4733 36.433 -8.34292 GPRESSAVG: 4942600 15.6839 12.0597 16.8673 10.7602 -24.5753 35.9567 19.0924 38.4972 -6.59621 TIMING: 4942600 CPU: 15920.6, 0.00312989/step Wall: 15920.6, 0.00312988/step, 0.0499043 hours remaining, 234.382812 MB of memory in use. ENERGY: 4942600 3942.1742 20349.0959 14464.4125 246.2145 -203215.6999 2394.7608 0.0000 0.0000 51862.0785 -109956.9636 298.0521 -161819.0421 -109591.5309 297.8620 106.0939 138.5622 760824.1791 -5.3493 -5.1625 PRESSURE: 4942800 -69.9235 -144.921 256.407 -144.922 -397.252 -42.451 256.408 -42.4515 203.66 GPRESSURE: 4942800 -75.2645 83.242 280.831 -71.1137 -286.651 -11.4838 228.076 -115.668 180.923 PRESSAVG: 4942800 66.5374 -9.31474 27.0789 -9.31472 -69.8612 13.4729 27.0789 13.4729 24.385 GPRESSAVG: 4942800 66.7921 -7.47417 27.1293 -9.49563 -69.9279 14.2003 25.7976 11.1704 23.6344 TIMING: 4942800 CPU: 15921.2, 0.00311615/step Wall: 15921.2, 0.00311615/step, 0.0495122 hours remaining, 234.382812 MB of memory in use. ENERGY: 4942800 4012.9730 20406.6804 14471.3071 231.2412 -203471.5789 2518.8377 0.0000 0.0000 51905.3328 -109925.2068 298.3007 -161830.5395 -109566.0250 298.2814 -87.8385 -60.3307 759909.4950 7.0204 6.8329 PRESSURE: 4943000 132.728 -6.06735 82.9234 -6.06774 320.318 -132.36 82.9232 -132.36 330.435 GPRESSURE: 4943000 164.907 2.27158 154.614 -43.9672 402.876 -103.476 66.6347 -81.4823 303.026 PRESSAVG: 4943000 53.189 -6.73176 18.6193 -6.73183 -55.0165 -29.7418 18.6193 -29.7419 26.2821 GPRESSAVG: 4943000 52.8971 -8.71757 20.4117 -4.73658 -54.257 -31.0241 20.3076 -27.1179 25.4573 TIMING: 4943000 CPU: 15921.8, 0.00311653/step Wall: 15921.8, 0.00311653/step, 0.0493451 hours remaining, 234.382812 MB of memory in use. ENERGY: 4943000 3933.6740 20423.4836 14488.8298 255.9783 -203906.6265 2783.3365 0.0000 0.0000 52190.9245 -109830.3998 299.9420 -162021.3242 -109466.1061 298.5434 261.1602 290.2697 760205.3189 8.1515 8.0325 PRESSURE: 4943200 51.5354 156.169 255.703 156.169 -339.214 -33.3664 255.702 -33.3665 309.995 GPRESSURE: 4943200 66.4823 78.3918 184.349 147.675 -298.701 97.2963 87.3788 -212.686 324.778 PRESSAVG: 4943200 46.5946 -15.7859 33.6162 -15.786 -65.8606 54.1142 33.6162 54.1143 -9.04786 GPRESSAVG: 4943200 46.4014 -15.2231 31.1134 -17.323 -66.952 54.4037 32.317 52.4801 -8.7368 TIMING: 4943200 CPU: 15922.4, 0.00311575/step Wall: 15922.4, 0.00311575/step, 0.0491596 hours remaining, 234.382812 MB of memory in use. ENERGY: 4943200 3974.9685 20479.3519 14520.6785 238.8383 -203823.9367 2812.3186 0.0000 0.0000 51895.6362 -109902.1447 298.2449 -161797.7809 -109543.3201 298.3840 7.4389 30.8531 760884.8629 -9.4379 -9.7625 PRESSURE: 4943400 -143.711 200.827 -225.129 200.827 20.4354 -97.5915 -225.13 -97.5913 320.882 GPRESSURE: 4943400 -60.2294 194.754 -283.413 114.189 54.6373 -41.2152 -136.376 103.008 294.387 PRESSAVG: 4943400 61.3374 8.38546 40.6411 8.38548 -54.1055 20.9756 40.6411 20.9756 0.632731 GPRESSAVG: 4943400 62.6502 7.59814 41.9801 5.79539 -54.3837 20.7482 41.004 22.0492 -0.573714 TIMING: 4943400 CPU: 15923.1, 0.00311695/step Wall: 15923.1, 0.00311695/step, 0.0490053 hours remaining, 234.382812 MB of memory in use. ENERGY: 4943400 3955.9959 20329.5969 14469.9230 247.3805 -203213.4672 2280.0753 0.0000 0.0000 52268.8005 -109661.6951 300.3895 -161930.4956 -109294.3948 298.6956 65.8688 96.2650 759535.3221 2.6216 2.5643 PRESSURE: 4943600 286.637 -172.308 149.198 -172.308 -13.7363 42.7354 149.198 42.7361 120.426 GPRESSURE: 4943600 296.932 -297.921 168.927 -82.3137 20.9577 82.4346 -44.5024 -110.794 155.257 PRESSAVG: 4943600 -27.7922 -48.7277 29.4017 -48.7277 47.1141 4.06559 29.4016 4.06557 7.41783 GPRESSAVG: 4943600 -27.5791 -48.8451 27.4187 -44.8847 46.2437 3.81292 29.4747 3.08317 8.15846 TIMING: 4943600 CPU: 15923.7, 0.00312182/step Wall: 15923.7, 0.00312182/step, 0.0489085 hours remaining, 234.382812 MB of memory in use. ENERGY: 4943600 3960.4100 20648.0082 14431.1476 254.5906 -203184.7736 2422.3240 0.0000 0.0000 51799.1429 -109669.1504 297.6904 -161468.2933 -109310.3136 298.8316 131.1086 157.7157 760127.8321 8.9133 8.9410 PRESSURE: 4943800 209.444 86.627 -164.837 86.6273 -131.719 -131.869 -164.838 -131.869 -201.122 GPRESSURE: 4943800 191.575 175.59 -98.7168 -42.8568 -0.774935 -209.689 -183.702 -166.778 -237.112 PRESSAVG: 4943800 -3.34484 -28.4644 -12.6493 -28.4644 31.2158 -27.7693 -12.6493 -27.7693 -10.6215 GPRESSAVG: 4943800 -4.70534 -27.1 -11.9198 -30.3004 32.1949 -28.9005 -11.0486 -27.6276 -10.0413 TIMING: 4943800 CPU: 15924.3, 0.00312451/step Wall: 15924.3, 0.00312451/step, 0.0487771 hours remaining, 234.382812 MB of memory in use. ENERGY: 4943800 3900.1035 20527.9984 14409.7946 234.8904 -202801.2981 2123.8826 0.0000 0.0000 51935.4540 -109669.1745 298.4738 -161604.6285 -109315.4394 298.9394 -41.1325 -15.4371 760223.7219 5.7498 5.8161 PRESSURE: 4944000 102.918 15.4138 -178.297 15.4149 550.337 -273.966 -178.297 -273.966 -99.3594 GPRESSURE: 4944000 138.937 -72.5493 -89.9153 38.4729 615.033 -211.33 -183.766 -62.8861 -133.915 PRESSAVG: 4944000 51.319 -57.9019 -60.7249 -57.9019 -110.176 57.5962 -60.7249 57.5961 0.782385 GPRESSAVG: 4944000 52.6482 -58.8016 -61.3187 -56.6833 -110.964 58.789 -61.91 58.0134 -0.249213 TIMING: 4944000 CPU: 15924.9, 0.00310862/step Wall: 15924.9, 0.00310862/step, 0.0483563 hours remaining, 234.382812 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: 4944000 3988.1510 20586.9275 14388.0544 224.9058 -203093.8245 2333.0232 0.0000 0.0000 52047.3693 -109525.3933 299.1169 -161572.7626 -109169.8980 298.6349 184.6319 206.6851 760051.4835 -19.3581 -19.5217 PRESSURE: 4944200 -423.217 -94.4683 136.396 -94.4688 -15.919 128.789 136.396 128.788 -245.713 GPRESSURE: 4944200 -431.848 -37.7672 83.3543 61.7181 19.0505 115.522 118.437 155.753 -192.482 PRESSAVG: 4944200 50.706 1.9398 -36.7877 1.93983 -5.35323 44.9001 -36.7877 44.9 -18.7198 GPRESSAVG: 4944200 49.3073 3.23804 -36.0559 -0.170742 -3.97362 45.5388 -38.7348 45.8143 -18.1792 TIMING: 4944200 CPU: 15925.5, 0.00310634/step Wall: 15925.5, 0.00310634/step, 0.0481483 hours remaining, 234.382812 MB of memory in use. ENERGY: 4944200 4008.2699 20487.1699 14463.6343 252.3945 -203037.8073 2216.5325 0.0000 0.0000 52186.5946 -109423.2116 299.9171 -161609.8062 -109064.6279 299.3528 -228.2828 -201.7598 760007.1301 8.8777 9.0515 LDB: ============= START OF LOAD BALANCING ============== 15938 LDB: ============== END OF LOAD BALANCING =============== 15938 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15938 LDB: ============= START OF LOAD BALANCING ============== 15938.3 LDB: Largest compute 7075 load 0.035650 is 18.2% of average load 0.195561 LDB: Average compute 0.004389 is 2.2% of average load 0.195561 LDB: TIME 15938.3 LOAD: AVG 0.195561 MAX 0.21554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.68 MB LDB: TIME 15938.3 LOAD: AVG 0.195561 MAX 0.21554 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 15938.3 LOAD: AVG 0.195561 MAX 0.21554 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 15938.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15938.3 PRESSURE: 4944400 173.269 67.2059 -13.2101 67.2063 -295.72 164.158 -13.2105 164.157 -232.57 GPRESSURE: 4944400 231.228 146.96 -5.26096 71.4089 -197.509 125.198 -61.4605 181.533 -297.328 PRESSAVG: 4944400 52.5189 -25.0323 -13.8323 -25.0324 -41.4916 13.0245 -13.8324 13.0245 4.80037 GPRESSAVG: 4944400 52.9055 -28.2747 -13.3051 -23.6038 -40.587 12.4342 -13.5996 13.2128 4.03613 TIMING: 4944400 CPU: 15926.2, 0.00319073/step Wall: 15926.2, 0.00319073/step, 0.0492791 hours remaining, 235.968750 MB of memory in use. ENERGY: 4944400 3994.3115 20414.0039 14539.0846 240.2972 -203242.0044 2454.5087 0.0000 0.0000 51926.0740 -109673.7245 298.4199 -161599.7985 -109313.2402 299.0884 -118.3403 -87.8696 760251.3445 5.2759 5.4515 PRESSURE: 4944600 273.433 -11.1834 53.4913 -11.1824 -181.818 -128.282 53.4919 -128.281 310.588 GPRESSURE: 4944600 303.916 14.0841 99.0504 86.2289 -41.4931 -153.16 39.2649 -61.9007 235.432 PRESSAVG: 4944600 77.7081 -32.0682 43.2673 -32.0682 -60.8183 58.2231 43.2672 58.223 3.51745 GPRESSAVG: 4944600 78.5951 -32.6903 43.2085 -30.4192 -62.2255 58.3748 43.8644 55.831 4.31772 TIMING: 4944600 CPU: 15926.8, 0.0031287/step Wall: 15926.8, 0.0031287/step, 0.0481472 hours remaining, 235.968750 MB of memory in use. ENERGY: 4944600 3977.2145 20445.0670 14427.7965 247.7423 -203383.4946 2635.9548 0.0000 0.0000 52044.7005 -109605.0191 299.1016 -161649.7196 -109246.5661 299.1857 134.0677 165.9515 761120.0562 6.8024 6.8958 PRESSURE: 4944800 -6.06248 -106.446 115.378 -106.446 296.794 -192.627 115.378 -192.626 22.2757 GPRESSURE: 4944800 59.8773 -155.362 105.719 -136.202 255.382 -61.3238 99.699 -67.8219 76.5763 PRESSAVG: 4944800 67.6658 31.252 -1.76669 31.252 -54.127 37.6398 -1.76673 37.6398 -14.5055 GPRESSAVG: 4944800 67.3313 32.4619 -1.86884 29.3357 -54.3868 38.3968 -2.04546 37.7235 -13.6201 TIMING: 4944800 CPU: 15927.4, 0.00311558/step Wall: 15927.4, 0.00311558/step, 0.0477723 hours remaining, 235.968750 MB of memory in use. ENERGY: 4944800 4000.4271 20471.2399 14438.9884 230.7801 -203397.3172 2745.8644 0.0000 0.0000 51984.7406 -109525.2767 298.7570 -161510.0173 -109165.1304 298.3549 104.3357 130.6118 761024.2375 -0.3223 -0.2252 PRESSURE: 4945000 61.2145 -20.8271 -234.547 -20.827 -340.658 240.382 -234.546 240.382 220.812 GPRESSURE: 4945000 166.148 -57.1187 -257.298 -4.77266 -310.881 124.227 -226.892 195.14 178.818 PRESSAVG: 4945000 34.5956 -30.6421 -2.60389 -30.6421 -25.041 66.3124 -2.60386 66.3123 25.6194 GPRESSAVG: 4945000 35.905 -32.5495 -4.61637 -30.0261 -25.2401 65.4301 -1.30562 67.4454 25.0903 TIMING: 4945000 CPU: 15928.1, 0.00311694/step Wall: 15928.1, 0.00311694/step, 0.04762 hours remaining, 235.968750 MB of memory in use. ENERGY: 4945000 3894.9942 20412.2164 14482.2339 224.6871 -203502.2614 2673.6335 0.0000 0.0000 52284.0792 -109530.4172 300.4773 -161814.4964 -109163.6659 299.1626 -19.5439 11.3614 760908.4190 11.7247 11.9184 PRESSURE: 4945200 -161.065 123.423 -403.445 123.423 -167.516 24.3576 -403.445 24.3575 -204.869 GPRESSURE: 4945200 -196.95 109.246 -378.706 191.261 -74.9627 70.5964 -288.086 44.4681 -181.151 PRESSAVG: 4945200 63.3286 57.2209 -60.3619 57.2209 -67.2677 44.7109 -60.3619 44.7109 -3.28481 GPRESSAVG: 4945200 62.9497 60.4396 -56.5836 57.995 -67.6192 44.8189 -60.4652 43.583 -2.85181 TIMING: 4945200 CPU: 15928.7, 0.00310824/step Wall: 15928.7, 0.00310824/step, 0.0473144 hours remaining, 236.093750 MB of memory in use. ENERGY: 4945200 4013.6685 20512.8842 14488.4162 242.4121 -203272.4517 2605.6265 0.0000 0.0000 52048.1317 -109361.3125 299.1213 -161409.4443 -108997.6532 298.8380 -177.8165 -151.0212 761589.8804 -2.4080 -2.5071 PRESSURE: 4945400 -30.9837 305.59 242.842 305.591 108.82 109.539 242.842 109.539 54.6288 GPRESSURE: 4945400 79.3944 399.26 134.431 227.06 99.9008 71.2404 255.77 96.8862 34.3354 PRESSAVG: 4945400 96.5879 20.2606 21.7376 20.2607 -100.828 42.2659 21.7377 42.2659 -6.92455 GPRESSAVG: 4945400 97.4157 19.3466 20.4608 19.398 -100.359 43.9418 20.6227 42.7681 -7.73745 TIMING: 4945400 CPU: 15929.3, 0.00314137/step Wall: 15929.3, 0.00314137/step, 0.047644 hours remaining, 236.093750 MB of memory in use. ENERGY: 4945400 4102.1054 20573.4522 14527.9618 235.0309 -203094.9999 2425.6257 0.0000 0.0000 51800.2447 -109430.5791 297.6967 -161230.8238 -109082.0611 299.1657 44.1550 71.2102 761272.0202 -3.7216 -3.5604 PRESSURE: 4945600 -147.089 -134.414 -1.16693 -134.414 -109.765 437.402 -1.16685 437.402 -51.2874 GPRESSURE: 4945600 -131.758 -197.683 -31.8279 -59.8561 -23.5954 306.944 62.7151 451.554 -60.5387 PRESSAVG: 4945600 10.3341 -8.665 24.3502 -8.66499 -31.708 46.3769 24.3503 46.377 20.8974 GPRESSAVG: 4945600 8.48835 -10.3989 25.3416 -6.47958 -30.6671 44.4806 24.2807 45.9757 21.1632 TIMING: 4945600 CPU: 15929.9, 0.00311205/step Wall: 15929.9, 0.00311205/step, 0.0470265 hours remaining, 236.093750 MB of memory in use. ENERGY: 4945600 3946.1914 20597.0823 14384.5762 250.8971 -203089.6596 2371.1564 0.0000 0.0000 51829.5384 -109710.2177 297.8651 -161539.7561 -109352.7512 298.9095 -102.7138 -71.9639 760989.5990 -0.1589 -0.3385 PRESSURE: 4945800 -57.7507 -66.3239 -220.101 -66.3233 -193.092 -163.331 -220.101 -163.332 239.038 GPRESSURE: 4945800 20.4082 -67.567 -273.144 -137.609 -116.106 -40.2386 -290.916 -97.2723 172.689 PRESSAVG: 4945800 11.8033 -71.6 11.9803 -71.6 8.71684 86.1097 11.9803 86.1097 -1.93463 GPRESSAVG: 4945800 12.762 -68.2309 11.7545 -74.1988 7.54566 87.8456 12.0988 84.3883 -1.79067 TIMING: 4945800 CPU: 15930.6, 0.00311567/step Wall: 15930.6, 0.00311567/step, 0.0469082 hours remaining, 236.093750 MB of memory in use. ENERGY: 4945800 4030.0148 20597.7623 14495.2079 247.9867 -203567.6318 2787.4043 0.0000 0.0000 52018.0287 -109391.2270 298.9483 -161409.2558 -109033.4648 299.0210 -3.9349 25.6637 759863.5393 6.1952 6.1723 PRESSURE: 4946000 -314.733 -232.609 -75.2297 -232.609 -257.328 -183.677 -75.2296 -183.677 67.5199 GPRESSURE: 4946000 -257.657 -129.069 -100.944 -161.448 -247.092 -249.08 183.077 -197.69 78.7969 PRESSAVG: 4946000 17.1101 -38.2701 18.4326 -38.2701 -8.77106 -25.4567 18.4326 -25.4567 13.597 GPRESSAVG: 4946000 17.1215 -42.5936 17.4826 -36.8745 -8.95271 -29.1378 18.0309 -22.6523 13.2272 TIMING: 4946000 CPU: 15931.2, 0.00311966/step Wall: 15931.2, 0.00311966/step, 0.0467949 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4946000 4012.1299 20509.8201 14417.0644 242.6286 -203245.2839 2441.6144 0.0000 0.0000 52169.3910 -109452.6356 299.8182 -161622.0266 -109094.6647 299.1018 -168.1806 -141.9839 762242.7756 7.3120 7.1320 PRESSURE: 4946200 60.6301 -38.8186 80.7009 -38.8183 -495.367 147.887 80.7009 147.887 -14.9431 GPRESSURE: 4946200 86.6712 35.4538 131.835 25.6175 -404.464 101.59 -25.5155 144.613 -63.0247 PRESSAVG: 4946200 84.6511 -46.9421 4.47916 -46.9422 -83.8059 35.5694 4.47917 35.5695 18.0563 GPRESSAVG: 4946200 84.7099 -42.9866 4.94668 -49.1431 -83.8948 38.4312 6.65572 36.3555 17.9689 TIMING: 4946200 CPU: 15931.8, 0.00312075/step Wall: 15931.8, 0.00312075/step, 0.0466379 hours remaining, 236.093750 MB of memory in use. ENERGY: 4946200 4022.8485 20517.1159 14488.7920 244.9661 -203694.1202 2789.4297 0.0000 0.0000 52046.2727 -109584.6952 299.1106 -161630.9679 -109226.5488 299.2732 -149.8933 -126.9392 761161.2046 6.3005 6.2613 PRESSURE: 4946400 41.9017 80.2896 89.4003 80.2903 52.0362 82.2428 89.4002 82.2436 -173.215 GPRESSURE: 4946400 35.4003 -63.7033 5.54009 147.691 122.271 93.5973 -26.0346 183.644 -159.728 PRESSAVG: 4946400 61.4126 -11.6484 21.1697 -11.6484 -62.4575 41.7855 21.1697 41.7855 -29.9324 GPRESSAVG: 4946400 60.0683 -13.8201 20.7608 -9.54255 -62.4478 41.0476 18.6676 41.4583 -28.6182 TIMING: 4946400 CPU: 15932.4, 0.00311237/step Wall: 15932.4, 0.00311237/step, 0.0463397 hours remaining, 236.093750 MB of memory in use. ENERGY: 4946400 3980.5426 20348.9038 14418.2133 246.4057 -204032.4143 3002.9208 0.0000 0.0000 52381.0275 -109654.4005 301.0345 -162035.4280 -109296.9232 299.0178 -26.4257 -0.6854 760842.1139 -10.3258 -10.3326 PRESSURE: 4946600 -198.879 -55.4305 13.059 -55.4299 -188.627 22.9277 13.0581 22.9259 228.427 GPRESSURE: 4946600 -139.65 -107.371 -22.1044 -25.0902 -200.789 -10.4703 -120.09 8.71394 270.013 PRESSAVG: 4946600 58.6978 -42.6674 15.2859 -42.6674 -27.1175 17.1225 15.2859 17.1225 -4.97154 GPRESSAVG: 4946600 59.6454 -43.4161 15.2048 -42.0233 -26.2582 17.3585 16.4026 16.1852 -6.56885 TIMING: 4946600 CPU: 15933, 0.00311281/step Wall: 15933, 0.00311281/step, 0.0461733 hours remaining, 236.093750 MB of memory in use. ENERGY: 4946600 3935.8322 20428.1562 14459.9738 266.3636 -203203.3892 2420.2747 0.0000 0.0000 51959.2664 -109733.5223 298.6106 -161692.7887 -109372.5176 298.7977 -53.0264 -23.4757 761050.5336 8.8696 8.9395 PRESSURE: 4946800 290.161 -105.174 98.6591 -105.174 -72.5744 -26.4959 98.6598 -26.4962 -238.527 GPRESSURE: 4946800 313.727 -167.961 55.9222 48.2659 -80.719 -96.9902 131.903 -2.44581 -165.8 PRESSAVG: 4946800 29.3314 -24.1599 -30.1762 -24.1599 11.6756 49.6601 -30.1762 49.6601 -28.75 GPRESSAVG: 4946800 29.1801 -23.294 -30.0695 -24.8121 11.1473 49.6647 -30.8343 49.0015 -29.1985 TIMING: 4946800 CPU: 15933.7, 0.00309661/step Wall: 15933.7, 0.00309661/step, 0.0457609 hours remaining, 236.093750 MB of memory in use. ENERGY: 4946800 3903.9947 20470.2931 14476.5854 246.0410 -203198.9304 2403.3025 0.0000 0.0000 51769.9838 -109928.7299 297.5228 -161698.7136 -109567.2219 298.2056 -6.9802 22.4026 762183.3973 4.0857 3.7096 PRESSURE: 4947000 -8.3775 -32.5985 28.5501 -32.5985 -266.122 80.9113 28.5502 80.9119 4.59561 GPRESSURE: 4947000 0.411791 -26.2107 -40.5726 -61.7744 -160.873 50.4218 43.8668 58.7701 -41.0119 PRESSAVG: 4947000 24.9314 -27.1024 -60.8693 -27.1024 -18.5507 36.0904 -60.8692 36.0904 0.250194 GPRESSAVG: 4947000 25.7165 -27.363 -61.4342 -25.5838 -20.0263 35.7879 -60.2865 34.476 0.819792 TIMING: 4947000 CPU: 15934.3, 0.00308999/step Wall: 15934.3, 0.00308999/step, 0.0454915 hours remaining, 236.093750 MB of memory in use. ENERGY: 4947000 3918.2115 20544.7832 14517.3352 235.6496 -203930.7824 2672.6316 0.0000 0.0000 52013.7790 -110028.3923 298.9239 -162042.1713 -109672.9376 298.2391 -89.9681 -67.1578 761403.9478 2.2103 2.1700 PRESSURE: 4947200 -31.6026 -12.497 157.55 -12.4974 -23.1017 -125.323 157.549 -125.323 -26.2756 GPRESSURE: 4947200 -36.6827 -50.665 134.252 -179.956 67.8374 -59.121 70.6139 -118.722 -42.7525 PRESSAVG: 4947200 3.98127 24.7276 -41.2255 24.7276 50.8118 39.8792 -41.2256 39.8792 5.45641 GPRESSAVG: 4947200 3.35248 23.3324 -39.8074 23.6954 51.3049 40.6515 -41.9773 44.3709 5.70216 TIMING: 4947200 CPU: 15934.9, 0.00310479/step Wall: 15934.9, 0.00310479/step, 0.045537 hours remaining, 236.093750 MB of memory in use. ENERGY: 4947200 3937.3133 20545.4211 14480.9695 231.0450 -203813.4985 2857.5051 0.0000 0.0000 51752.5555 -110008.6890 297.4226 -161761.2445 -109642.0821 297.8649 -26.9933 -3.8659 762031.9515 20.0832 20.1198 PRESSURE: 4947400 314.45 -90.6566 112.069 -90.6573 -250.649 154.065 112.069 154.064 260.37 GPRESSURE: 4947400 316.152 -45.9059 136.293 -46.0443 -147.634 210.205 166.068 24.6201 234.507 PRESSAVG: 4947400 80.2165 -9.67173 -29.2652 -9.67178 -90.3765 23.2186 -29.2652 23.2186 34.1925 GPRESSAVG: 4947400 78.7822 -9.55495 -30.829 -11.325 -88.7239 21.5588 -29.4695 22.0723 33.9269 TIMING: 4947400 CPU: 15935.5, 0.00309844/step Wall: 15935.5, 0.00309844/step, 0.0452717 hours remaining, 236.093750 MB of memory in use. ENERGY: 4947400 3986.8835 20461.9048 14399.2559 256.2363 -203424.8808 2453.4617 0.0000 0.0000 51706.9304 -110160.2081 297.1604 -161867.1386 -109810.6832 297.5144 108.0570 134.3414 759805.6256 8.0108 7.9951 PRESSURE: 4947600 -243.03 -27.1991 5.81058 -27.1992 92.5135 -46.432 5.81038 -46.432 52.4041 GPRESSURE: 4947600 -221.333 30.723 -45.3314 -59.5891 125.861 -68.9289 -7.70059 -101.891 110.982 PRESSAVG: 4947600 40.2846 -52.2475 40.1668 -52.2476 -34.7472 13.7874 40.1668 13.7874 14.9423 GPRESSAVG: 4947600 41.5949 -52.0451 42.4419 -50.6332 -36.0983 17.7338 41.8338 10.2713 15.202 TIMING: 4947600 CPU: 15936.1, 0.00310324/step Wall: 15936.1, 0.00310324/step, 0.0451695 hours remaining, 236.093750 MB of memory in use. ENERGY: 4947600 3987.9520 20445.9888 14490.4986 248.7756 -203272.9491 2359.6108 0.0000 0.0000 51827.7240 -109912.3993 297.8546 -161740.1233 -109542.6288 297.8391 -32.7042 5.1698 760493.9711 6.8266 6.8996 PRESSURE: 4947800 -209.422 191.595 292.369 191.595 92.0568 -180.836 292.37 -180.836 204.239 GPRESSURE: 4947800 -137.971 100.8 297.245 207.587 160.44 -227.932 229.06 -129.939 181.826 PRESSAVG: 4947800 6.08436 -15.7112 30.8423 -15.7112 -8.25201 -7.31157 30.8423 -7.31156 -2.2238 GPRESSAVG: 4947800 7.82647 -14.8877 28.506 -16.9519 -8.83506 -8.84977 31.1538 -6.55947 -3.79058 TIMING: 4947800 CPU: 15936.8, 0.00310106/step Wall: 15936.8, 0.00310106/step, 0.0449653 hours remaining, 236.093750 MB of memory in use. ENERGY: 4947800 4023.6406 20402.6796 14422.0725 220.6398 -203002.7857 2455.7967 0.0000 0.0000 51470.6099 -110007.3466 295.8023 -161477.9565 -109658.8784 297.5569 28.9577 68.0984 760055.6690 -1.4638 -1.5997 PRESSURE: 4948000 16.2194 59.9649 -179.472 59.965 326.427 -9.04244 -179.472 -9.0435 59.7698 GPRESSURE: 4948000 3.30419 60.3743 -180.101 61.0825 370.89 -179.053 -114.119 150.682 108.24 PRESSAVG: 4948000 -31.3771 -24.1576 12.6968 -24.1576 21.9496 67.7528 12.6966 67.7528 25.1678 GPRESSAVG: 4948000 -33.0059 -25.9053 14.9512 -23.3116 22.2848 67.4817 11.2975 71.6508 26.1689 TIMING: 4948000 CPU: 15937.4, 0.00310393/step Wall: 15937.4, 0.00310393/step, 0.0448345 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4948000 3964.1701 20388.3632 14445.9097 249.3104 -203606.4180 2582.8180 0.0000 0.0000 51981.3882 -109994.4585 298.7378 -161975.8467 -109635.3019 298.1789 134.1388 160.8116 757980.4331 5.2468 5.1493 PRESSURE: 4948200 478.931 212.529 -161.293 212.529 68.025 75.2776 -161.293 75.2772 130.649 GPRESSURE: 4948200 360.314 270.156 -150.978 131.871 163.941 -36.4765 -122.19 -1.20801 233.441 PRESSAVG: 4948200 -2.53469 -42.4062 -48.281 -42.4063 48.3157 27.0159 -48.2811 27.0159 23.1333 GPRESSAVG: 4948200 -4.43645 -39.8981 -49.4077 -43.5951 48.8502 25.495 -49.1945 25.9425 23.7914 TIMING: 4948200 CPU: 15938, 0.00309201/step Wall: 15938, 0.00309201/step, 0.0444905 hours remaining, 236.093750 MB of memory in use. ENERGY: 4948200 3929.3359 20376.9051 14349.0765 230.5604 -203636.1816 2739.3539 0.0000 0.0000 51926.2637 -110084.6861 298.4210 -162010.9499 -109726.9586 297.6865 225.8681 252.5650 760657.7870 22.9714 22.7351 LDB: ============= START OF LOAD BALANCING ============== 15950.4 LDB: ============== END OF LOAD BALANCING =============== 15950.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15950.4 LDB: ============= START OF LOAD BALANCING ============== 15950.7 LDB: Largest compute 7075 load 0.034368 is 17.6% of average load 0.195511 LDB: Average compute 0.004407 is 2.3% of average load 0.195511 LDB: TIME 15950.7 LOAD: AVG 0.195511 MAX 0.214674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.176 MB LDB: TIME 15950.7 LOAD: AVG 0.195511 MAX 0.214674 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.434 MB LDB: TIME 15950.7 LOAD: AVG 0.195511 MAX 0.214674 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.434 MB LDB: ============== END OF LOAD BALANCING =============== 15950.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15950.7 PRESSURE: 4948400 -15.8226 -37.3582 -76.2398 -37.3585 29.5306 160.664 -76.2398 160.663 -67.1489 GPRESSURE: 4948400 82.0004 -250.506 -82.2781 -11.0992 47.1729 263.119 -13.8341 142.473 -90.503 PRESSAVG: 4948400 -0.691242 -12.4358 -38.1223 -12.4358 -27.0883 15.351 -38.1223 15.351 9.06046 GPRESSAVG: 4948400 0.804015 -13.5591 -39.2178 -9.82566 -28.5803 15.811 -35.8555 16.3285 8.96795 TIMING: 4948400 CPU: 15938.6, 0.00318194/step Wall: 15938.6, 0.00318194/step, 0.0456079 hours remaining, 236.164062 MB of memory in use. ENERGY: 4948400 3978.5508 20388.2062 14459.6387 232.7072 -203472.8899 2658.8812 0.0000 0.0000 51706.6859 -110048.2198 297.1590 -161754.9057 -109694.2356 297.2659 -17.8136 12.8901 762257.2737 -6.2397 -6.2694 PRESSURE: 4948600 -14.7326 -12.4446 -7.97707 -12.4455 222.259 -35.3907 -7.97663 -35.3902 115.448 GPRESSURE: 4948600 -26.2967 -22.8629 46.6731 -61.4506 235.812 -95.7301 -90.6451 15.6203 179.584 PRESSAVG: 4948600 -21.0402 -8.02057 -35.4687 -8.02061 -8.32929 -26.5256 -35.4687 -26.5255 -8.75742 GPRESSAVG: 4948600 -20.9305 -9.85912 -33.9099 -9.79409 -7.00571 -25.5269 -39.5443 -26.2324 -9.90021 TIMING: 4948600 CPU: 15939.3, 0.00312451/step Wall: 15939.3, 0.00312451/step, 0.044611 hours remaining, 236.367188 MB of memory in use. ENERGY: 4948600 3958.4216 20335.7139 14543.9939 234.4941 -203187.8921 2300.9857 0.0000 0.0000 51767.6730 -110046.6100 297.5095 -161814.2830 -109691.3114 297.6464 107.6582 129.6999 760493.1915 -12.7090 -12.6121 PRESSURE: 4948800 180.053 148.025 -185.605 148.024 301.706 67.381 -185.606 67.3802 265.923 GPRESSURE: 4948800 198.535 210.752 -179.474 130.123 301.553 13.2037 -144.649 47.7056 315.875 PRESSAVG: 4948800 -17.5244 7.27357 -25.3209 7.27362 30.3972 4.44555 -25.3209 4.44551 -6.0372 GPRESSAVG: 4948800 -17.8086 6.80625 -26.6 6.96037 29.2697 3.28458 -23.1449 2.62669 -5.2861 TIMING: 4948800 CPU: 15939.9, 0.00312729/step Wall: 15939.9, 0.00312729/step, 0.044477 hours remaining, 236.437500 MB of memory in use. ENERGY: 4948800 3958.4191 20313.1966 14456.1631 227.0592 -203045.5564 2287.3354 0.0000 0.0000 51917.2972 -109886.0858 298.3694 -161803.3830 -109521.7325 298.1362 249.2273 271.9874 758904.9353 2.2785 2.0583 PRESSURE: 4949000 -11.7216 8.81504 -40.2263 8.81452 -33.2531 116.087 -40.2262 116.088 -251.29 GPRESSURE: 4949000 39.5814 -94.6312 -140.936 -60.061 -32.3596 127.797 58.7524 166.587 -211.983 PRESSAVG: 4949000 -14.4152 -18.9558 39.5116 -18.9558 5.84973 -23.8701 39.5116 -23.87 -13.2696 GPRESSAVG: 4949000 -14.348 -15.7233 37.8619 -18.6037 6.81346 -21.993 41.2146 -23.0824 -14.4874 TIMING: 4949000 CPU: 15940.5, 0.00311629/step Wall: 15940.5, 0.00311629/step, 0.0441474 hours remaining, 236.437500 MB of memory in use. ENERGY: 4949000 3969.5391 20507.7268 14460.3777 237.6184 -203566.3752 2557.4206 0.0000 0.0000 52020.7395 -109812.9531 298.9639 -161833.6927 -109452.5267 298.3850 -98.7550 -68.2539 759686.4532 -7.2784 -7.3406 PRESSURE: 4949200 -323.736 -6.22072 226.036 -6.22035 15.9063 25.4951 226.035 25.4956 118.721 GPRESSURE: 4949200 -208.019 -93.003 319.511 37.6258 25.951 13.6948 242.909 -84.8092 78.848 PRESSAVG: 4949200 -47.3341 -38.6132 13.9089 -38.6131 37.1775 -1.12776 13.9089 -1.12774 16.2685 GPRESSAVG: 4949200 -47.8902 -42.6457 16.2029 -36.1178 36.1181 -1.12458 12.9423 -3.81598 18.6109 TIMING: 4949200 CPU: 15941.1, 0.00311435/step Wall: 15941.1, 0.00311435/step, 0.0439469 hours remaining, 236.437500 MB of memory in use. ENERGY: 4949200 3983.4765 20256.5699 14498.7326 242.8000 -203075.5405 2270.6412 0.0000 0.0000 52061.4316 -109761.8887 299.1978 -161823.3203 -109398.8584 298.5644 -63.0361 -34.4067 760642.2718 2.0373 2.2796 PRESSURE: 4949400 -140.2 215.132 45.7959 215.133 -33.5678 -169.772 45.7955 -169.772 73.5068 GPRESSURE: 4949400 -103.856 211.304 32.989 165.566 26.9536 -146.633 46.968 -106.954 81.5268 PRESSAVG: 4949400 -22.4225 -0.163182 34.2033 -0.163113 18.8736 11.5874 34.2034 11.5875 -4.5011 GPRESSAVG: 4949400 -22.0632 2.6523 33.0253 -0.683548 19.7506 10.9728 32.6986 13.0767 -5.96136 TIMING: 4949400 CPU: 15941.8, 0.0031321/step Wall: 15941.8, 0.0031321/step, 0.0440235 hours remaining, 236.507812 MB of memory in use. ENERGY: 4949400 3954.3628 20461.5550 14490.7270 272.8020 -203578.2101 2758.7630 0.0000 0.0000 51798.0499 -109841.9505 297.6841 -161640.0004 -109482.6928 298.3639 -33.4203 1.5414 760206.9967 -2.6833 -2.7580 PRESSURE: 4949600 -263.18 34.4131 39.4962 34.4132 -110.171 -81.7675 39.4969 -81.767 -276.789 GPRESSURE: 4949600 -276.694 45.0656 51.7772 -108.667 -68.3919 -106.688 74.0823 -156.649 -217.884 PRESSAVG: 4949600 -44.481 -22.6906 22.8709 -22.6906 -21.9665 44.3358 22.8709 44.3358 10.6615 GPRESSAVG: 4949600 -46.1219 -24.8814 23.4939 -24.8873 -21.181 44.1097 21.5037 43.5997 11.2455 TIMING: 4949600 CPU: 15942.4, 0.00312051/step Wall: 15942.4, 0.00312051/step, 0.0436872 hours remaining, 236.507812 MB of memory in use. ENERGY: 4949600 3968.8150 20406.4661 14523.0434 241.0954 -203343.1785 2403.9153 0.0000 0.0000 51922.1609 -109877.6823 298.3974 -161799.8432 -109519.9574 298.7075 -216.7133 -187.6567 760786.3299 -18.5954 -18.6858 PRESSURE: 4949800 -101.153 -21.725 -37.5447 -21.7249 13.361 -58.056 -37.5447 -58.0558 -12.9516 GPRESSURE: 4949800 -65.4334 36.0294 -47.8886 -9.26179 14.2228 -94.3682 -42.1818 -159.075 26.4724 PRESSAVG: 4949800 -9.06987 -67.707 46.9329 -67.707 20.0299 -27.8265 46.9329 -27.8265 34.0287 GPRESSAVG: 4949800 -8.53917 -63.366 46.3248 -67.1599 19.758 -27.5212 47.8543 -27.5779 33.8066 TIMING: 4949800 CPU: 15943, 0.00312779/step Wall: 15943, 0.00312779/step, 0.0436153 hours remaining, 236.507812 MB of memory in use. ENERGY: 4949800 3942.8967 20438.9116 14459.5037 238.2152 -203797.6440 2922.5215 0.0000 0.0000 51860.1484 -109935.4469 298.0410 -161795.5953 -109582.8319 298.7975 -33.5811 -8.2461 759851.6701 14.9963 15.0085 PRESSURE: 4950000 72.592 -180.347 222.764 -180.347 224.545 16.5718 222.764 16.5727 96.2564 GPRESSURE: 4950000 211.475 -108.469 226.984 -224.029 160.696 -4.61653 254.549 85.7227 108.222 PRESSAVG: 4950000 48.0097 -65.367 25.6455 -65.367 -42.1227 -15.8483 25.6455 -15.8484 14.2024 GPRESSAVG: 4950000 49.1035 -66.182 26.8614 -67.0079 -43.0569 -16.3383 26.4191 -15.2727 14.1038 TIMING: 4950000 CPU: 15943.6, 0.00312871/step Wall: 15943.6, 0.00312871/step, 0.0434543 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4950000 3980.9420 20449.0726 14516.6394 243.0355 -203655.6424 2751.7575 0.0000 0.0000 51804.9599 -109909.2355 297.7238 -161714.1953 -109565.9556 298.3920 131.1311 160.1311 759718.8702 6.6965 6.7168 PRESSURE: 4950200 -503.488 -149.211 207.726 -149.212 -48.9108 252.797 207.726 252.796 64.1227 GPRESSURE: 4950200 -426.794 -96.1012 222.517 -141.415 -62.0984 279.003 97.0694 231.583 96.2377 PRESSAVG: 4950200 10.9778 -46.915 17.622 -46.9149 -23.7798 20.11 17.6221 20.11 27.2581 GPRESSAVG: 4950200 11.4823 -47.9177 15.4887 -45.0035 -23.7487 21.6922 17.723 20.1828 27.944 TIMING: 4950200 CPU: 15944.3, 0.0031549/step Wall: 15944.3, 0.0031549/step, 0.0436428 hours remaining, 236.507812 MB of memory in use. ENERGY: 4950200 3980.8235 20301.0356 14550.1699 245.2837 -203885.1990 2934.2778 0.0000 0.0000 51668.6184 -110204.9902 296.9403 -161873.6086 -109842.6646 298.2553 -162.7588 -130.8850 759708.5123 4.8187 5.2259 PRESSURE: 4950400 -96.1396 -64.9119 -182.538 -64.9122 39.5564 72.914 -182.538 72.9144 111.435 GPRESSURE: 4950400 -37.0422 -49.9491 -103.038 -87.3441 52.0681 103.009 -215.198 -69.3534 116.474 PRESSAVG: 4950400 47.65 -15.6596 -2.76446 -15.6596 21.7921 14.4479 -2.7644 14.448 17.1577 GPRESSAVG: 4950400 47.4931 -15.263 0.195789 -16.1888 22.9755 11.3157 -5.4399 14.6349 16.0794 TIMING: 4950400 CPU: 15944.9, 0.00314231/step Wall: 15944.9, 0.00314231/step, 0.0432941 hours remaining, 236.507812 MB of memory in use. ENERGY: 4950400 4030.8081 20333.0768 14533.5925 242.4194 -203733.4696 2668.7186 0.0000 0.0000 51968.5431 -109956.3112 298.6639 -161924.8542 -109597.9936 298.2632 18.2840 43.8333 761193.6796 28.8666 28.8493 PRESSURE: 4950600 -49.6297 -12.8306 59.5451 -12.8299 145.786 6.31778 59.5458 6.31745 -175.724 GPRESSURE: 4950600 -68.0248 -17.6358 80.367 12.9846 192.784 20.843 133.794 -1.39335 -124.395 PRESSAVG: 4950600 -40.1192 -44.9024 21.145 -44.9024 22.7918 16.3549 21.145 16.3549 3.37245 GPRESSAVG: 4950600 -40.5253 -43.8952 18.9569 -43.1803 22.1986 18.2837 24.5112 15.7003 4.08691 TIMING: 4950600 CPU: 15945.5, 0.00313377/step Wall: 15945.5, 0.00313377/step, 0.0430023 hours remaining, 236.507812 MB of memory in use. ENERGY: 4950600 4017.6430 20554.0090 14560.0559 267.1582 -203911.8464 2631.4830 0.0000 0.0000 51964.8046 -109916.6927 298.6424 -161881.4973 -109570.0111 298.5270 -26.5227 0.1214 760087.2204 -4.6516 -4.7466 PRESSURE: 4950800 153.409 67.7785 -111.356 67.7784 129.178 148.701 -111.355 148.701 -162.035 GPRESSURE: 4950800 196.77 -40.3104 -110.231 -14.7902 134.171 97.3868 -166.088 202.075 -114.086 PRESSAVG: 4950800 -16.9176 -0.00335245 46.5426 -0.00334906 -13.3462 -9.56987 46.5426 -9.56986 16.7124 GPRESSAVG: 4950800 -16.2597 -0.167089 47.6495 -1.76704 -12.8818 -11.2999 44.9462 -9.09776 15.5427 TIMING: 4950800 CPU: 15946.2, 0.00314883/step Wall: 15946.2, 0.00314883/step, 0.043034 hours remaining, 236.507812 MB of memory in use. ENERGY: 4950800 3995.6201 20387.3939 14589.4788 227.7555 -203981.7348 2661.9245 0.0000 0.0000 52061.8774 -110057.6845 299.2003 -162119.5619 -109694.2836 298.2819 40.1837 72.2849 759227.5389 -4.5171 -4.5329 PRESSURE: 4951000 0.538123 80.0712 45.3783 80.0715 -275.416 -230.342 45.3782 -230.342 380.406 GPRESSURE: 4951000 106.825 -46.5164 -38.2699 117.043 -240.496 -200.42 115.163 -105.215 305.182 PRESSAVG: 4951000 29.6118 -17.1535 18.6031 -17.1535 -0.629968 42.3367 18.6032 42.3367 -10.6639 GPRESSAVG: 4951000 29.9271 -18.024 18.0759 -15.2408 -1.04207 43.6806 17.2265 41.1412 -11.0399 TIMING: 4951000 CPU: 15946.8, 0.00312273/step Wall: 15946.8, 0.00312273/step, 0.0425038 hours remaining, 236.507812 MB of memory in use. ENERGY: 4951000 3924.4755 20469.8929 14478.1435 238.1504 -203698.5651 2489.0887 0.0000 0.0000 51789.8107 -110309.0032 297.6368 -162098.8139 -109949.3582 298.0140 35.1762 57.1703 759437.5296 6.1060 5.9484 PRESSURE: 4951200 83.9403 -1.05378 -3.07514 -1.05419 -232.013 241.33 -3.07515 241.33 -237.536 GPRESSURE: 4951200 57.1249 39.5794 -2.00385 33.3298 -260.686 191.795 88.3093 304.692 -94.2091 PRESSAVG: 4951200 41.4449 -2.16736 3.45356 -2.16734 -19.9346 -4.44751 3.45356 -4.44757 -26.2118 GPRESSAVG: 4951200 40.74 -3.08803 3.29936 -2.1658 -19.513 -4.00015 6.22899 -3.38955 -25.5279 TIMING: 4951200 CPU: 15947.4, 0.00312772/step Wall: 15947.4, 0.00312772/step, 0.042398 hours remaining, 236.507812 MB of memory in use. ENERGY: 4951200 3939.5891 20433.8142 14571.7335 256.0699 -203703.3169 2479.6382 0.0000 0.0000 51709.9874 -110312.4845 297.1780 -162022.4719 -109952.2574 297.3818 -128.5360 -99.2569 759139.7995 -1.5671 -1.4336 PRESSURE: 4951400 -141.749 -186.275 -37.645 -186.275 -239.471 42.7305 -37.6456 42.7302 -85.5164 GPRESSURE: 4951400 -73.7168 -179.22 -79.3978 -110.26 -237.969 1.73402 -122.167 -122.938 -68.0329 PRESSAVG: 4951400 25.3622 -5.5207 35.578 -5.52066 -32.7749 74.5753 35.5779 74.5753 14.3544 GPRESSAVG: 4951400 25.0525 -5.7608 36.3599 -4.68483 -33.1901 74.4523 30.9191 74.9766 14.7453 TIMING: 4951400 CPU: 15948, 0.0031143/step Wall: 15948, 0.0031143/step, 0.0420431 hours remaining, 236.507812 MB of memory in use. ENERGY: 4951400 3948.5211 20493.9824 14526.2805 259.4426 -203809.9013 2461.5188 0.0000 0.0000 51941.4518 -110178.7042 298.5082 -162120.1559 -109811.5172 297.8132 -155.5790 -126.5730 759332.4433 2.3139 2.2026 PRESSURE: 4951600 -320.623 13.2212 387.743 13.2214 73.8436 83.8749 387.743 83.8751 -112.545 GPRESSURE: 4951600 -293.021 45.1791 362.718 -147.241 56.594 93.7793 283.319 110.502 -19.5379 PRESSAVG: 4951600 -4.25919 3.93341 25.2363 3.93329 -18.577 -18.4447 25.2363 -18.4445 5.6798 GPRESSAVG: 4951600 -2.85696 6.55144 25.6761 1.01942 -19.49 -18.5668 27.6737 -20.3392 5.43904 TIMING: 4951600 CPU: 15948.7, 0.00311615/step Wall: 15948.7, 0.00311615/step, 0.0418949 hours remaining, 236.507812 MB of memory in use. ENERGY: 4951600 4006.0802 20397.8346 14518.5127 265.0308 -203602.5181 2459.7600 0.0000 0.0000 51713.5845 -110241.7152 297.1987 -161955.2998 -109889.6713 298.0353 -119.7750 -85.3216 758962.9307 -5.7188 -5.6360 PRESSURE: 4951800 132.556 -104.833 -110.264 -104.833 -124.399 -37.7042 -110.264 -37.7056 353.481 GPRESSURE: 4951800 188.566 -233.197 -246.4 -164.19 9.33767 -59.6621 -114.943 -84.5525 254.741 PRESSAVG: 4951800 -13.259 -29.2038 8.12412 -29.2038 -18.5405 2.00278 8.12418 2.00268 11.7242 GPRESSAVG: 4951800 -13.0807 -31.3138 7.7546 -26.1894 -17.1366 2.47161 8.92734 3.1896 10.9178 TIMING: 4951800 CPU: 15949.3, 0.00314438/step Wall: 15949.3, 0.00314438/step, 0.0420998 hours remaining, 236.507812 MB of memory in use. ENERGY: 4951800 4022.4593 20409.2930 14517.8055 246.6917 -203587.5063 2579.7363 0.0000 0.0000 51666.4311 -110145.0894 296.9277 -161811.5205 -109798.0869 297.5895 120.5457 150.8815 759664.0170 -6.6918 -6.4332 PRESSURE: 4952000 -69.0227 -102.837 -112.716 -102.836 122.469 8.65542 -112.717 8.65512 422.732 GPRESSURE: 4952000 -65.5398 -134.183 -192.647 -136.031 110.471 -7.48224 -26.5988 -4.42181 498.791 PRESSAVG: 4952000 -1.70785 -5.52037 -30.3889 -5.52039 -2.12658 34.0009 -30.3889 34.0008 24.514 GPRESSAVG: 4952000 -2.24374 -4.20917 -29.5711 -5.53218 -2.17189 34.9909 -31.5599 35.7684 25.1517 TIMING: 4952000 CPU: 15949.9, 0.00313457/step Wall: 15949.9, 0.00313457/step, 0.0417942 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4952000 3911.2282 20439.3482 14490.5275 241.3853 -203643.1160 2607.7506 0.0000 0.0000 51713.1137 -110239.7624 297.1960 -161952.8761 -109870.8106 297.2093 158.7258 181.2405 760300.0545 6.8932 6.9120 PRESSURE: 4952200 217.582 316.543 146.445 316.542 248.769 203.536 146.444 203.537 -245.858 GPRESSURE: 4952200 237.29 83.0138 123.796 267.685 263.509 208.265 37.2455 251.052 -201.77 PRESSAVG: 4952200 2.70075 38.4318 10.7393 38.4318 30.794 -7.75516 10.7394 -7.75521 -20.3791 GPRESSAVG: 4952200 1.90568 37.4646 10.8107 38.0892 31.3869 -10.121 9.10359 -8.51764 -20.6219 TIMING: 4952200 CPU: 15950.5, 0.00313329/step Wall: 15950.5, 0.00313329/step, 0.0416032 hours remaining, 236.507812 MB of memory in use. ENERGY: 4952200 3867.6827 20345.1302 14499.6740 243.1280 -203807.7754 2714.4200 0.0000 0.0000 51753.2183 -110384.5222 297.4265 -162137.7405 -110021.4406 297.2609 73.4976 99.6761 759515.6824 4.3719 4.2236 LDB: ============= START OF LOAD BALANCING ============== 15963 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15963 LDB: =============== DONE WITH MIGRATION ================ 15963 LDB: ============= START OF LOAD BALANCING ============== 15963.3 LDB: Largest compute 7075 load 0.034995 is 17.9% of average load 0.195682 LDB: Average compute 0.004382 is 2.2% of average load 0.195682 LDB: TIME 15963.3 LOAD: AVG 0.195682 MAX 0.21578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 15963.3 LOAD: AVG 0.195682 MAX 0.21578 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 15963.3 LOAD: AVG 0.195682 MAX 0.21578 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 15963.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15963.3 PRESSURE: 4952400 360.964 -20.932 -214.945 -20.9317 -37.5085 -72.1305 -214.945 -72.1304 194.025 GPRESSURE: 4952400 398.588 18.201 -293.727 -65.9093 43.5588 -93.2386 -275.147 -87.6313 169.92 PRESSAVG: 4952400 -4.41061 6.89172 36.5891 6.89176 -0.561677 25.8666 36.5891 25.8667 12.0349 GPRESSAVG: 4952400 -3.92322 5.17476 36.213 7.23797 -1.33575 25.9436 37.751 26.2275 12.6029 TIMING: 4952400 CPU: 15951.2, 0.00319638/step Wall: 15951.2, 0.00319638/step, 0.0422632 hours remaining, 234.882812 MB of memory in use. ENERGY: 4952400 3920.9085 20608.8593 14419.4314 242.6806 -203896.9604 2746.0980 0.0000 0.0000 51795.3552 -110163.6276 297.6686 -161958.9827 -109796.8400 297.5295 172.4936 204.0223 759822.4743 2.3542 2.4480 PRESSURE: 4952600 -144.496 -151.006 141.507 -151.007 110.877 202.169 141.508 202.169 193.855 GPRESSURE: 4952600 -162.388 -3.26798 254.84 -130.744 187.956 131.717 -8.5419 112.105 232.519 PRESSAVG: 4952600 43.214 -32.5005 -19.4987 -32.5005 -24.7971 18.0102 -19.4987 18.0103 5.58085 GPRESSAVG: 4952600 43.0946 -30.7377 -19.1581 -32.4213 -23.8185 18.704 -19.6424 17.797 5.11881 TIMING: 4952600 CPU: 15951.8, 0.00311383/step Wall: 15951.8, 0.00311383/step, 0.0409988 hours remaining, 234.882812 MB of memory in use. ENERGY: 4952600 3927.8452 20447.9679 14507.3407 242.2468 -204118.9905 3016.2724 0.0000 0.0000 51909.4036 -110067.9140 298.3241 -161977.3176 -109704.5931 297.7853 53.4120 86.0290 760548.5361 7.9992 8.1316 PRESSURE: 4952800 -251.564 194.409 -68.227 194.41 -96.1227 202.074 -68.2265 202.075 -293.085 GPRESSURE: 4952800 -228.009 124.154 -32.3339 221.479 -21.0047 214.184 12.8147 108.649 -296.187 PRESSAVG: 4952800 58.0965 -39.156 10.0249 -39.156 -20.6125 -9.41125 10.0248 -9.4112 -3.80718 GPRESSAVG: 4952800 57.6325 -41.7115 8.23766 -36.912 -20.7921 -9.86016 11.878 -9.08339 -3.14871 TIMING: 4952800 CPU: 15952.4, 0.00309809/step Wall: 15952.4, 0.00309809/step, 0.0406194 hours remaining, 234.882812 MB of memory in use. ENERGY: 4952800 4005.7857 20402.3463 14463.8120 273.2826 -203338.0167 2667.5611 0.0000 0.0000 51616.3612 -109908.8679 296.6399 -161525.2291 -109545.5961 297.8953 -213.5905 -181.7338 762086.3645 11.2256 11.2306 PRESSURE: 4953000 -481.97 -112.622 -159.612 -112.622 65.4126 99.8246 -159.613 99.8246 -533.894 GPRESSURE: 4953000 -415.771 -183.761 -125.498 -113.205 16.1601 22.314 -189.254 63.0536 -463.8 PRESSAVG: 4953000 -33.248 -54.4736 57.6568 -54.4736 15.8231 13.2495 57.6567 13.2495 -14.1561 GPRESSAVG: 4953000 -32.5454 -53.4355 59.2899 -56.5604 15.089 13.4299 55.3445 13.9068 -13.9946 TIMING: 4953000 CPU: 15953, 0.0031129/step Wall: 15953, 0.0031129/step, 0.0406407 hours remaining, 234.882812 MB of memory in use. ENERGY: 4953000 4017.8666 20431.4947 14461.3377 248.1660 -203523.4564 2648.8304 0.0000 0.0000 52004.5285 -109711.2324 298.8707 -161715.7610 -109363.1390 298.0888 -316.8170 -287.8038 761332.8752 -10.5270 -10.4836 PRESSURE: 4953200 -412.864 -107.517 -5.97202 -107.517 -60.7096 -14.186 -5.97145 -14.1849 244.185 GPRESSURE: 4953200 -303.999 -109.69 69.8838 -144.124 -39.8408 -17.34 9.42516 31.9146 185.229 PRESSAVG: 4953200 35.0942 -65.0069 23.5953 -65.007 9.48195 -16.1538 23.5953 -16.1538 1.37196 GPRESSAVG: 4953200 35.3505 -62.2482 22.5618 -66.3396 9.70191 -16.7974 25.411 -16.9486 1.13728 TIMING: 4953200 CPU: 15953.7, 0.00311542/step Wall: 15953.7, 0.00311542/step, 0.0405004 hours remaining, 234.882812 MB of memory in use. ENERGY: 4953200 3982.9428 20567.9927 14415.8475 226.8476 -203759.8965 2765.3594 0.0000 0.0000 52239.5221 -109561.3845 300.2213 -161800.9065 -109183.8258 299.1746 -76.4629 -52.8705 760690.2448 15.3160 15.3966 PRESSURE: 4953400 -360.589 -19.9663 -15.0447 -19.9663 -330.775 -293.47 -15.0447 -293.47 -131.185 GPRESSURE: 4953400 -261.501 -5.74709 -50.8671 -137.611 -292.522 -274.004 -19.5718 -311.104 -204.041 PRESSAVG: 4953400 9.86127 11.9971 73.4018 11.9971 -67.2154 -36.7292 73.4018 -36.7293 -6.13964 GPRESSAVG: 4953400 9.09708 9.15076 73.5006 14.3022 -65.5961 -36.1915 72.7746 -38.1681 -6.81944 TIMING: 4953400 CPU: 15954.3, 0.00312015/step Wall: 15954.3, 0.00312015/step, 0.0403886 hours remaining, 234.882812 MB of memory in use. ENERGY: 4953400 4040.3382 20492.5792 14473.1315 243.1955 -203038.4398 2168.0091 0.0000 0.0000 52023.5033 -109597.6829 298.9798 -161621.1862 -109246.6515 298.8550 -274.1828 -252.6880 761705.5498 -21.1646 -21.1062 PRESSURE: 4953600 -7.86716 -237.082 353.042 -237.083 23.0282 170.238 353.042 170.237 291.877 GPRESSURE: 4953600 66.7359 -273.709 436.929 -154.889 10.9089 106.301 170.16 59.0259 299.457 PRESSAVG: 4953600 32.2582 51.8204 5.96414 51.8204 -16.603 -38.0164 5.9641 -38.0164 1.17181 GPRESSAVG: 4953600 32.7073 53.9893 6.32087 51.4718 -18.1373 -37.3859 7.08656 -37.2107 2.14959 TIMING: 4953600 CPU: 15954.9, 0.00314136/step Wall: 15954.9, 0.00314136/step, 0.0404887 hours remaining, 234.882812 MB of memory in use. ENERGY: 4953600 4006.3320 20436.8257 14539.3986 265.8997 -203075.2515 2195.1858 0.0000 0.0000 52078.7718 -109552.8379 299.2974 -161631.6098 -109181.7410 299.0049 102.3460 125.7005 760305.4956 5.6090 5.5732 PRESSURE: 4953800 113.074 -134.334 10.4606 -134.333 171.595 -58.7063 10.4603 -58.7064 7.07827 GPRESSURE: 4953800 202.918 -125.943 -10.9748 -155.58 116.711 -31.4437 43.0313 -2.25311 63.5048 PRESSAVG: 4953800 5.47111 -18.9814 3.34599 -18.9814 27.5927 31.7282 3.34597 31.7282 -1.77055 GPRESSAVG: 4953800 5.06519 -21.2167 3.92467 -17.2069 28.043 32.0914 3.02436 30.329 -1.87531 TIMING: 4953800 CPU: 15955.5, 0.00311493/step Wall: 15955.5, 0.00311493/step, 0.0399749 hours remaining, 234.882812 MB of memory in use. ENERGY: 4953800 3976.0278 20439.3202 14480.2872 258.1447 -203126.2688 2378.1000 0.0000 0.0000 51961.6009 -109632.7881 298.6240 -161594.3890 -109271.2437 298.5266 97.2490 127.7111 759847.4841 10.4311 10.4110 PRESSURE: 4954000 236.332 16.5022 -168.307 16.5024 497.344 99.0337 -168.307 99.0342 -31.4801 GPRESSURE: 4954000 271.329 70.7305 -162.172 -62.2668 549.284 133.648 -122.653 121.765 -38.6924 PRESSAVG: 4954000 -15.6052 -26.405 -9.94508 -26.405 8.19058 -12.7983 -9.94518 -12.7983 -24.1607 GPRESSAVG: 4954000 -16.6834 -24.0854 -8.94672 -27.9112 9.67111 -13.8729 -10.0396 -11.6793 -24.6192 TIMING: 4954000 CPU: 15956.2, 0.00309986/step Wall: 15956.2, 0.00309986/step, 0.0396093 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4954000 3900.4419 20465.1620 14508.6990 250.9682 -203113.2652 2373.0208 0.0000 0.0000 52152.3240 -109462.6493 299.7201 -161614.9734 -109095.2573 299.1887 234.0655 260.6404 759628.8235 -10.5251 -10.5438 PRESSURE: 4954200 -192.653 108.137 -31.2108 108.138 242.266 1.44639 -31.2106 1.44644 3.43975 GPRESSURE: 4954200 -135.261 113.837 -49.1121 177.063 242.417 -28.7678 -113.996 -23.1116 4.97398 PRESSAVG: 4954200 -25.1703 9.44906 -13.7459 9.44903 40.0121 8.09526 -13.7458 8.09523 1.03085 GPRESSAVG: 4954200 -24.5251 8.40489 -13.5132 10.5041 38.1015 9.92704 -15.8244 6.71341 2.24895 TIMING: 4954200 CPU: 15956.8, 0.00310473/step Wall: 15956.8, 0.00310473/step, 0.0394991 hours remaining, 234.882812 MB of memory in use. ENERGY: 4954200 3993.8707 20415.7925 14498.8031 242.1219 -202885.4442 2390.2821 0.0000 0.0000 51884.5652 -109460.0088 298.1813 -161344.5740 -109092.3550 299.1431 17.6842 37.3765 760968.1478 5.2909 5.2751 PRESSURE: 4954400 9.59767 16.409 -170.521 16.4077 -102.613 -68.6336 -170.52 -68.6322 -58.9266 GPRESSURE: 4954400 0.876672 100.608 -108.352 -54.606 7.6852 50.2404 -110.349 -112.249 -63.1889 PRESSAVG: 4954400 -7.36473 33.9723 5.58592 33.9723 17.1079 38.4403 5.58595 38.4404 -13.3074 GPRESSAVG: 4954400 -6.86923 34.6247 5.30186 34.2228 17.195 37.7044 6.29261 38.9923 -14.3036 TIMING: 4954400 CPU: 15957.4, 0.00311017/step Wall: 15957.4, 0.00311017/step, 0.0393955 hours remaining, 234.882812 MB of memory in use. ENERGY: 4954400 4013.6987 20384.5654 14526.6080 231.9516 -203243.3043 2662.2689 0.0000 0.0000 52194.4850 -109229.7269 299.9624 -161424.2118 -108864.4887 299.0950 -50.6475 -18.2090 760784.4027 -1.1881 -1.3259 PRESSURE: 4954600 -59.7105 117.955 -68.4525 117.954 -169.239 113.57 -68.4518 113.57 -374.582 GPRESSURE: 4954600 -69.5412 105.499 -69.2173 112.478 -83.2616 99.711 -46.4699 132.698 -392.178 PRESSAVG: 4954600 11.2835 -41.9282 10.8459 -41.9282 22.2584 -34.8239 10.8459 -34.8239 -10.641 GPRESSAVG: 4954600 10.478 -41.705 9.30287 -42.7391 22.8626 -34.1115 12.39 -35.5178 -10.5212 TIMING: 4954600 CPU: 15958, 0.00312024/step Wall: 15958, 0.00312024/step, 0.0393497 hours remaining, 234.882812 MB of memory in use. ENERGY: 4954600 3991.5169 20362.3171 14589.0794 248.4614 -202822.4787 2268.4074 0.0000 0.0000 52084.7960 -109277.9004 299.3320 -161362.6964 -108913.8521 299.4200 -201.1771 -181.6603 760965.0192 7.6336 7.6065 PRESSURE: 4954800 274.778 113.854 -116.399 113.854 -31.0474 81.3034 -116.399 81.3036 -312.968 GPRESSURE: 4954800 283.646 86.5478 -162.579 15.6609 66.3557 206.856 -12.0452 145.609 -324.802 PRESSAVG: 4954800 -37.0833 17.0034 -19.6175 17.0034 13.1627 18.2789 -19.6176 18.2789 -16.137 GPRESSAVG: 4954800 -36.3139 16.3169 -19.4953 16.9829 12.0054 18.7253 -20.7991 19.2941 -15.863 TIMING: 4954800 CPU: 15958.6, 0.00312425/step Wall: 15958.6, 0.00312425/step, 0.0392267 hours remaining, 234.882812 MB of memory in use. ENERGY: 4954800 4023.6008 20429.2810 14490.2458 224.9064 -202923.3202 2450.6133 0.0000 0.0000 52077.1335 -109227.5395 299.2880 -161304.6730 -108871.2885 299.8233 -23.0789 8.3999 761740.1166 -13.3525 -13.3905 PRESSURE: 4955000 -266.181 135.737 133.274 135.737 -288.941 -66.9895 133.273 -66.9887 -359.165 GPRESSURE: 4955000 -304.628 44.7275 30.615 250.129 -231.572 -44.7479 12.427 -126.91 -302.045 PRESSAVG: 4955000 8.39201 12.9757 -10.8778 12.9757 -27.6568 -32.938 -10.8778 -32.938 -0.665551 GPRESSAVG: 4955000 9.21849 11.8202 -10.7686 12.548 -27.4276 -35.5624 -10.7267 -33.5329 -1.95452 TIMING: 4955000 CPU: 15959.3, 0.00314285/step Wall: 15959.3, 0.00314285/step, 0.0392857 hours remaining, 234.882812 MB of memory in use. ENERGY: 4955000 4022.2586 20476.1073 14450.4372 244.7226 -202722.9060 2132.2364 0.0000 0.0000 52185.3961 -109211.7478 299.9102 -161397.1439 -108844.3122 299.6567 -304.7622 -279.4149 761338.2127 -6.6434 -6.7212 PRESSURE: 4955200 163.451 22.7548 308.565 22.755 74.1663 61.3278 308.565 61.328 2.09084 GPRESSURE: 4955200 167.965 83.8261 254.244 8.32842 97.957 -22.9434 356.404 178.388 56.3165 PRESSAVG: 4955200 -36.8623 6.39803 63.9653 6.398 68.0124 0.517032 63.9652 0.517083 10.1908 GPRESSAVG: 4955200 -38.3572 8.34825 63.7632 6.41046 66.742 0.10567 63.4722 3.5926 12.5707 TIMING: 4955200 CPU: 15959.9, 0.00312655/step Wall: 15959.9, 0.00312654/step, 0.0389081 hours remaining, 234.882812 MB of memory in use. ENERGY: 4955200 3984.5635 20511.6074 14429.2724 237.6974 -202968.1010 2458.1305 0.0000 0.0000 52041.3791 -109305.4506 299.0825 -161346.8297 -108942.8942 299.6562 79.9028 107.4127 761126.7225 13.7803 13.6518 PRESSURE: 4955400 -208.416 -42.4143 -166.596 -42.4147 -381.719 13.739 -166.595 13.7402 432.309 GPRESSURE: 4955400 -182.22 -102.73 -112.569 -70.4018 -303.088 32.0108 -166.99 156.366 423.96 PRESSAVG: 4955400 17.6468 35.6566 -30.6468 35.6566 -50.3973 -10.4818 -30.6468 -10.4819 -8.43439 GPRESSAVG: 4955400 18.2397 33.5999 -30.0933 36.4267 -48.3715 -8.87916 -30.7613 -11.725 -10.624 TIMING: 4955400 CPU: 15960.5, 0.00314015/step Wall: 15960.5, 0.00314015/step, 0.038903 hours remaining, 234.882812 MB of memory in use. ENERGY: 4955400 3928.6012 20330.1927 14461.3342 258.3368 -202943.0638 2395.1356 0.0000 0.0000 52111.2991 -109458.1642 299.4844 -161569.4633 -109097.7887 299.0697 -52.6087 -20.4493 761587.8258 -13.7283 -13.5853 PRESSURE: 4955600 -179.969 -56.1556 -123.004 -56.1556 -189.039 -137.445 -123.004 -137.445 320.918 GPRESSURE: 4955600 -235.142 -65.6296 -119.115 11.4908 -74.5497 -139.792 -64.2363 -172.468 348.042 PRESSAVG: 4955600 70.8966 -66.7749 -36.1913 -66.7749 -22.9979 -22.957 -36.1912 -22.9571 5.53932 GPRESSAVG: 4955600 70.7731 -65.786 -37.1011 -66.4739 -23.2178 -23.6004 -34.8367 -22.0653 5.69331 TIMING: 4955600 CPU: 15961.2, 0.0031272/step Wall: 15961.2, 0.0031272/step, 0.0385688 hours remaining, 234.882812 MB of memory in use. ENERGY: 4955600 3995.7232 20515.4022 14445.2087 254.8174 -203047.6398 2338.7057 0.0000 0.0000 52102.1764 -109395.6063 299.4319 -161497.7827 -109040.1489 299.2690 -16.0298 12.7833 760202.3262 17.8127 17.7495 PRESSURE: 4955800 16.6161 -207.513 -32.3211 -207.512 309.589 172.421 -32.3216 172.42 165.987 GPRESSURE: 4955800 7.44733 -139.525 -121.874 -139.064 299.027 75.1446 35.9706 205.628 250.121 PRESSAVG: 4955800 -10.5583 -3.79591 -47.7377 -3.7959 0.705266 13.7219 -47.7377 13.7219 2.68347 GPRESSAVG: 4955800 -11.1073 -3.47151 -47.3361 -3.32619 0.810211 14.2464 -48.7243 11.059 3.13623 TIMING: 4955800 CPU: 15961.8, 0.00312365/step Wall: 15961.8, 0.00312365/step, 0.0383514 hours remaining, 234.882812 MB of memory in use. ENERGY: 4955800 3925.8528 20438.2147 14424.0482 227.7601 -203265.7026 2637.4970 0.0000 0.0000 52194.5688 -109417.7609 299.9629 -161612.3297 -109050.4691 299.1546 164.0641 185.5316 760750.9695 -2.3899 -2.3869 PRESSURE: 4956000 34.575 258.068 -207.441 258.069 101.035 53.7904 -207.44 53.7913 156.547 GPRESSURE: 4956000 55.2348 89.521 -257.562 320.996 171.369 131.5 -87.7655 33.6373 148.849 PRESSAVG: 4956000 -39.7862 -5.02854 17.3444 -5.02854 -2.7073 15.8319 17.3444 15.8319 15.1749 GPRESSAVG: 4956000 -39.9947 -7.44935 17.0654 -3.23089 -3.13965 14.2533 17.431 16.2195 15.9066 TIMING: 4956000 CPU: 15962.4, 0.00311666/step Wall: 15962.4, 0.00311666/step, 0.0380925 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4956000 3937.4105 20535.7587 14454.5556 228.2040 -203384.7849 2650.1006 0.0000 0.0000 52011.9289 -109566.8267 298.9133 -161578.7555 -109195.8429 298.7820 97.3855 125.1511 760810.5595 -9.1062 -9.0759 PRESSURE: 4956200 13.3346 152.131 -15.1649 152.13 9.63806 113.268 -15.1649 113.269 13.682 GPRESSURE: 4956200 89.0643 216.571 -21.7648 93.103 26.3584 111.21 -8.22185 89.1085 31.856 PRESSAVG: 4956200 32.831 28.3069 -3.99528 28.3069 -45.4537 -10.7403 -3.99532 -10.7403 -35.1982 GPRESSAVG: 4956200 33.8806 29.316 -3.32717 25.4051 -45.12 -9.58884 -2.97028 -10.7989 -36.5378 TIMING: 4956200 CPU: 15963, 0.00312756/step Wall: 15963, 0.00312756/step, 0.038052 hours remaining, 234.882812 MB of memory in use. ENERGY: 4956200 3970.8926 20358.0654 14538.2365 256.8318 -203730.6734 2864.5986 0.0000 0.0000 51926.3109 -109815.7376 298.4212 -161742.0485 -109445.2305 299.0406 12.2182 49.0929 759179.1827 -15.9403 -15.9257 LDB: ============= START OF LOAD BALANCING ============== 15975.5 LDB: ============== END OF LOAD BALANCING =============== 15975.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15975.5 LDB: ============= START OF LOAD BALANCING ============== 15975.8 LDB: Largest compute 7075 load 0.037330 is 19.1% of average load 0.195669 LDB: Average compute 0.004378 is 2.2% of average load 0.195669 LDB: TIME 15975.8 LOAD: AVG 0.195669 MAX 0.217645 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.656 MB LDB: TIME 15975.8 LOAD: AVG 0.195669 MAX 0.217645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: TIME 15975.8 LOAD: AVG 0.195669 MAX 0.217645 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: ============== END OF LOAD BALANCING =============== 15975.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15975.8 PRESSURE: 4956400 138.567 -103 258.858 -102.999 -81.0436 27.588 258.859 27.588 191.793 GPRESSURE: 4956400 178.899 -71.8391 169.391 -89.7201 -54.4731 -17.6504 197.665 19.1726 215.281 PRESSAVG: 4956400 37.0917 -3.76716 -35.8913 -3.76717 -30.344 58.2369 -35.8913 58.2368 -7.45714 GPRESSAVG: 4956400 37.8673 -0.704871 -36.3276 -7.52183 -30.1919 56.9798 -37.0574 57.9226 -7.97866 TIMING: 4956400 CPU: 15963.7, 0.00320068/step Wall: 15963.7, 0.00320068/step, 0.0387638 hours remaining, 235.191406 MB of memory in use. ENERGY: 4956400 3924.1809 20371.8316 14500.8659 239.4003 -203460.4964 2524.7700 0.0000 0.0000 52081.0174 -109818.4303 299.3103 -161899.4478 -109448.2381 298.6630 83.1053 113.2356 757911.0019 -0.2365 -0.1011 PRESSURE: 4956600 85.9159 -15.9857 -6.30305 -15.9866 -74.7372 -230.604 -6.30269 -230.603 -114.184 GPRESSURE: 4956600 123.46 112.759 60.9315 -82.2235 -95.1091 -212.511 -17.5228 -206.947 -60.5183 PRESSAVG: 4956600 22.0226 18.4782 20.6987 18.4783 -30.2095 6.39947 20.6987 6.39944 1.91801 GPRESSAVG: 4956600 21.5215 17.5352 21.5374 22.0403 -30.0302 7.36139 20.2835 4.29451 2.40288 TIMING: 4956600 CPU: 15964.3, 0.00313243/step Wall: 15964.3, 0.00313243/step, 0.0377632 hours remaining, 235.855469 MB of memory in use. ENERGY: 4956600 3976.1823 20351.4842 14506.3872 241.7748 -203627.7474 2527.7864 0.0000 0.0000 52114.2577 -109909.8747 299.5014 -162024.1325 -109539.0576 299.1889 -34.3350 -10.7223 758364.7341 -2.0896 -2.0353 PRESSURE: 4956800 218.962 18.9985 -32.7106 18.9989 59.6748 59.1418 -32.7112 59.1399 10.9421 GPRESSURE: 4956800 255.571 53.2116 6.04931 -7.65642 112.489 10.2301 -23.1237 109.048 -8.69079 PRESSAVG: 4956800 -28.3668 46.4402 -43.9043 46.4402 39.433 9.06993 -43.9042 9.06993 -1.65159 GPRESSAVG: 4956800 -29.1233 45.8802 -45.1918 45.4841 39.7459 6.6494 -44.1296 12.1128 -0.864024 TIMING: 4956800 CPU: 15964.9, 0.0031198/step Wall: 15964.9, 0.0031198/step, 0.0374376 hours remaining, 235.925781 MB of memory in use. ENERGY: 4956800 3934.3831 20371.8503 14477.6454 239.9748 -203611.2555 2598.0354 0.0000 0.0000 52055.0497 -109934.3168 299.1611 -161989.3664 -109568.9663 298.5703 96.5262 119.7896 759063.3384 3.1382 3.2529 PRESSURE: 4957000 -171.784 -116.587 16.0233 -116.587 11.6435 -70.4683 16.0229 -70.4668 -68.0614 GPRESSURE: 4957000 -49.4062 -129.329 144.936 -170.909 12.0339 10.3486 -70.3312 -96.8302 -93.676 PRESSAVG: 4957000 17.5358 -27.5962 6.86926 -27.5962 24.9587 1.93881 6.86928 1.93884 -16.8159 GPRESSAVG: 4957000 18.2903 -29.293 8.66055 -26.5428 23.9419 3.73797 7.131 0.777507 -16.4283 TIMING: 4957000 CPU: 15965.5, 0.00314367/step Wall: 15965.5, 0.00314367/step, 0.0375494 hours remaining, 235.941406 MB of memory in use. ENERGY: 4957000 3936.0858 20457.3835 14478.7684 252.8543 -203198.0977 2356.2554 0.0000 0.0000 51901.8638 -109814.8864 298.2807 -161716.7502 -109448.7035 298.2168 -76.0673 -43.6828 761273.1266 8.5595 8.6013 PRESSURE: 4957200 -123.913 -65.3637 -44.7145 -65.3632 -233.781 -140.243 -44.7152 -140.244 -397.865 GPRESSURE: 4957200 -155.942 15.5831 -54.1737 -113.112 -74.7095 -182.045 221.436 -95.9152 -433.425 PRESSAVG: 4957200 -27.1344 -26.9129 49.5323 -26.9129 31.2188 -11.3845 49.5322 -11.3846 -38.1768 GPRESSAVG: 4957200 -26.2597 -25.4108 48.6601 -28.064 29.7679 -10.988 51.3763 -10.9848 -38.1563 TIMING: 4957200 CPU: 15966.2, 0.00311902/step Wall: 15966.2, 0.00311902/step, 0.0370817 hours remaining, 235.941406 MB of memory in use. ENERGY: 4957200 4031.0410 20498.6121 14529.2855 239.3572 -203228.0678 2254.5028 0.0000 0.0000 51905.2117 -109770.0576 298.3000 -161675.2692 -109404.1674 298.6629 -251.8526 -221.3589 759221.5373 -11.3641 -11.5494 PRESSURE: 4957400 -32.3596 -0.849293 58.2859 -0.849507 -170.584 44.561 58.2864 44.5609 -161.334 GPRESSURE: 4957400 -133.011 18.3274 1.8434 53.3351 -61.9254 -68.3782 19.3932 -22.0589 -101.131 PRESSAVG: 4957400 -26.8176 -79.3998 29.9936 -79.3998 59.1417 -27.3376 29.9936 -27.3376 12.7022 GPRESSAVG: 4957400 -26.4476 -78.9375 30.2979 -79.0927 59.7197 -27.9273 28.4805 -28.5585 11.5185 TIMING: 4957400 CPU: 15966.8, 0.0031485/step Wall: 15966.8, 0.0031485/step, 0.0372573 hours remaining, 235.941406 MB of memory in use. ENERGY: 4957400 3969.4096 20453.9184 14545.1079 263.4452 -203374.2166 2416.1616 0.0000 0.0000 51898.4486 -109827.7252 298.2611 -161726.1738 -109462.5324 299.1573 -121.4260 -98.6891 759978.5106 15.0087 14.9302 PRESSURE: 4957600 89.1655 21.6109 69.0709 21.6113 94.7136 -103.924 69.0717 -103.925 -156.979 GPRESSURE: 4957600 220.475 -138.177 177.403 37.8537 105.153 -75.424 52.825 107.28 -193.369 PRESSAVG: 4957600 -14.0405 -92.5721 -15.2239 -92.5721 12.5203 13.6977 -15.2238 13.6977 -9.80635 GPRESSAVG: 4957600 -13.6942 -94.1628 -14.7225 -92.2473 13.5614 12.6299 -14.1701 15.6182 -10.2725 TIMING: 4957600 CPU: 15967.4, 0.00313186/step Wall: 15967.4, 0.00313186/step, 0.0368864 hours remaining, 235.941406 MB of memory in use. ENERGY: 4957600 3980.7047 20543.8223 14539.2276 259.1439 -203828.8838 2550.6968 0.0000 0.0000 52029.1433 -109926.1453 299.0122 -161955.2886 -109567.3917 298.7490 8.9667 44.0864 759195.9200 -3.7755 -3.4684 PRESSURE: 4957800 -310.412 -224.812 -19.1843 -224.813 -361.795 -117.59 -19.183 -117.591 -416.754 GPRESSURE: 4957800 -328.662 -95.1874 -5.53956 -259.104 -369.361 -215.304 50.0963 -211.217 -293.645 PRESSAVG: 4957800 10.1348 -85.4285 -0.620534 -85.4285 -37.2326 -2.97211 -0.620489 -2.97217 24.13 GPRESSAVG: 4957800 7.55832 -84.4132 -0.487002 -85.7281 -37.6715 -2.0374 -0.261773 -4.3024 26.5737 TIMING: 4957800 CPU: 15968.1, 0.00311924/step Wall: 15968.1, 0.00311924/step, 0.0365644 hours remaining, 235.941406 MB of memory in use. ENERGY: 4957800 3970.1858 20491.6551 14502.2114 251.7661 -203563.6269 2393.1042 0.0000 0.0000 52212.4375 -109742.2668 300.0656 -161954.7044 -109378.1509 299.1889 -362.9870 -330.5558 759836.0558 -0.9893 -1.1798 PRESSURE: 4958000 -282.691 55.8947 100.325 55.8948 121.059 80.6749 100.324 80.6752 -44.6784 GPRESSURE: 4958000 -250.712 135.816 -1.14042 58.9817 107.048 131.292 36.8132 209.839 25.3134 PRESSAVG: 4958000 -7.82446 -42.5634 4.35506 -42.5634 -26.4432 13.4484 4.35501 13.4485 44.7016 GPRESSAVG: 4958000 -5.37838 -42.5452 4.84549 -41.1095 -26.6401 12.8132 1.56673 13.7775 42.8017 TIMING: 4958000 CPU: 15968.7, 0.00312387/step Wall: 15968.7, 0.00312387/step, 0.0364451 hours remaining, 235.941406 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: 4958000 3949.5040 20594.1578 14528.7145 256.8294 -203190.8445 2105.8395 0.0000 0.0000 51810.7961 -109945.0033 297.7574 -161755.7993 -109585.3924 299.2659 -68.7699 -39.4501 760820.0678 3.4780 3.5944 PRESSURE: 4958200 -59.6897 -67.9052 94.588 -67.9053 15.8724 -268.022 94.5885 -268.022 246.3 GPRESSURE: 4958200 -62.2209 -10.6169 31.8344 6.16017 44.1677 -221.29 113.577 -298.469 301.601 PRESSAVG: 4958200 1.31193 -32.2263 -31.0624 -32.2263 31.5294 -32.2501 -31.0624 -32.2501 1.61213 GPRESSAVG: 4958200 -0.0113319 -31.9588 -33.8426 -31.8949 32.6236 -30.5189 -29.5778 -30.1442 1.85274 TIMING: 4958200 CPU: 15969.3, 0.00311301/step Wall: 15969.3, 0.00311301/step, 0.0361455 hours remaining, 235.941406 MB of memory in use. ENERGY: 4958200 3920.2887 20527.9411 14495.8973 269.1289 -203632.0001 2408.5242 0.0000 0.0000 52067.7490 -109942.4709 299.2341 -162010.2199 -109576.3668 298.6904 67.4941 94.5161 758529.9381 11.4845 11.4883 PRESSURE: 4958400 -345.94 -176.529 -202.36 -176.528 13.6864 75.0857 -202.361 75.0851 -131.201 GPRESSURE: 4958400 -177.782 -87.9299 -152.59 -178.515 -16.9876 55.133 -34.7147 94.674 -174.056 PRESSAVG: 4958400 -0.52581 -53.7204 6.49628 -53.7204 -1.57469 -21.2022 6.49627 -21.2022 -14.6913 GPRESSAVG: 4958400 0.549037 -53.832 6.05507 -55.3755 -1.29046 -22.4311 6.50598 -24.3906 -16.0509 TIMING: 4958400 CPU: 15969.9, 0.00311278/step Wall: 15969.9, 0.00311278/step, 0.0359699 hours remaining, 235.941406 MB of memory in use. ENERGY: 4958400 3959.1161 20609.4468 14520.9599 261.0352 -203726.5181 2405.4316 0.0000 0.0000 52100.6759 -109869.8527 299.4233 -161970.5286 -109512.7576 298.8886 -154.4848 -122.9419 758883.7506 -5.5973 -5.5974 PRESSURE: 4958600 140.549 114.589 -103.092 114.588 -48.6448 211.567 -103.093 211.567 290.295 GPRESSURE: 4958600 60.562 41.9729 -75.9863 131.948 7.73464 235.104 -105.214 189.879 397.196 PRESSAVG: 4958600 101.568 4.60697 -10.6121 4.60696 -41.2681 -6.8035 -10.6122 -6.80353 1.07914 GPRESSAVG: 4958600 102.031 3.86774 -7.6807 5.04022 -42.6075 -5.34204 -11.6437 -5.11319 1.82804 TIMING: 4958600 CPU: 15970.5, 0.00312279/step Wall: 15970.5, 0.00312279/step, 0.0359121 hours remaining, 235.941406 MB of memory in use. ENERGY: 4958600 3927.1727 20606.7585 14541.1545 224.6811 -203362.6061 2457.4420 0.0000 0.0000 51869.3964 -109736.0009 298.0941 -161605.3973 -109365.3441 299.0787 127.3998 155.1643 757602.6899 20.4596 20.4173 PRESSURE: 4958800 86.6543 -96.0436 72.0753 -96.0434 -232.282 -38.2911 72.0758 -38.2906 -199.78 GPRESSURE: 4958800 7.62812 -210.348 -43.3904 -121.664 -104.469 3.48814 123.064 -45.8898 -175.253 PRESSAVG: 4958800 -7.40584 -1.15883 -0.446312 -1.15888 -28.3535 4.67349 -0.446343 4.67346 -9.86095 GPRESSAVG: 4958800 -10.2144 -0.168689 -1.49688 -1.52949 -26.4014 2.99936 0.168298 3.18156 -9.4374 TIMING: 4958800 CPU: 15971.2, 0.00311871/step Wall: 15971.2, 0.00311871/step, 0.0356919 hours remaining, 235.941406 MB of memory in use. ENERGY: 4958800 3918.6800 20599.2882 14406.7702 250.3676 -203189.0236 2267.3549 0.0000 0.0000 51793.0742 -109953.4884 297.6555 -161746.5627 -109591.8690 299.0742 -115.1359 -90.6977 759117.6492 -15.2068 -15.3510 PRESSURE: 4959000 -151.919 77.2476 -3.50415 77.2476 51.1867 105.256 -3.50503 105.256 -407.51 GPRESSURE: 4959000 -181.134 89.4267 -30.03 84.8252 88.1961 -1.94512 -64.2266 232.175 -314.353 PRESSAVG: 4959000 75.5313 -22.1752 -2.41751 -22.1752 -68.5006 -0.447582 -2.41754 -0.447592 25.9039 GPRESSAVG: 4959000 77.1488 -23.5882 -1.87297 -22.2184 -70.1459 -1.07857 -2.91992 1.10011 25.2979 TIMING: 4959000 CPU: 15971.8, 0.00314342/step Wall: 15971.8, 0.00314342/step, 0.0358 hours remaining, 235.941406 MB of memory in use. ENERGY: 4959000 4071.4958 20372.8357 14519.8294 256.4926 -203789.5486 2622.5245 0.0000 0.0000 52127.4853 -109818.8852 299.5774 -161946.3705 -109447.1114 298.8129 -169.4142 -135.7637 758893.8857 10.9782 10.7670 PRESSURE: 4959200 124.767 303.271 -141.03 303.271 -87.1813 78.7543 -141.029 78.7533 -174.516 GPRESSURE: 4959200 32.1723 203.935 -131.45 296.697 80.3764 47.4349 -153.096 24.3249 -185.662 PRESSAVG: 4959200 49.6779 -26.7663 -30.7473 -26.7663 -31.2222 -17.2002 -30.7473 -17.2002 5.18779 GPRESSAVG: 4959200 49.4743 -26.1695 -32.0704 -26.8294 -30.5111 -15.6107 -28.419 -17.5376 4.57346 TIMING: 4959200 CPU: 15972.4, 0.00313931/step Wall: 15972.4, 0.00313931/step, 0.0355788 hours remaining, 235.941406 MB of memory in use. ENERGY: 4959200 4007.6968 20552.5834 14536.1526 260.0187 -203453.7650 2486.6657 0.0000 0.0000 51760.1309 -109850.5168 297.4662 -161610.6477 -109490.8933 298.8973 -45.6434 -24.3710 761344.9118 7.8812 7.8456 PRESSURE: 4959400 112.751 112.037 82.2582 112.036 -9.77899 206.389 82.2582 206.388 -17.8633 GPRESSURE: 4959400 184.813 106.795 62.0977 119.531 25.0537 225.698 41.7414 116.229 -38.1077 PRESSAVG: 4959400 -1.01485 -41.3395 -32.2539 -41.3395 22.0317 29.0408 -32.2539 29.0408 6.78608 GPRESSAVG: 4959400 -0.460962 -41.3965 -32.8869 -39.5767 21.4534 28.436 -32.3374 29.1537 6.20457 TIMING: 4959400 CPU: 15973.1, 0.00313045/step Wall: 15973.1, 0.00313045/step, 0.0353045 hours remaining, 235.941406 MB of memory in use. ENERGY: 4959400 3973.4025 20400.1809 14496.3320 247.9245 -203561.1456 2679.8259 0.0000 0.0000 51857.9295 -109905.5503 298.0282 -161763.4798 -109552.3679 298.5463 28.3696 57.2531 760347.8141 9.2676 9.0657 PRESSURE: 4959600 57.2848 -235.24 33.3726 -235.241 241.83 -64.7455 33.3723 -64.7468 -291.838 GPRESSURE: 4959600 85.4859 -210.307 -20.4421 -366.867 340.541 -17.6767 -77.4693 -138.233 -331.239 PRESSAVG: 4959600 -10.0767 -38.869 9.02308 -38.869 9.47828 -30.7262 9.02308 -30.7262 -14.1749 GPRESSAVG: 4959600 -10.3763 -36.6123 9.0294 -40.8585 8.91688 -30.7843 7.87353 -31.2294 -13.3755 TIMING: 4959600 CPU: 15973.7, 0.0031106/step Wall: 15973.7, 0.0031106/step, 0.0349078 hours remaining, 235.941406 MB of memory in use. ENERGY: 4959600 4002.3012 20392.2571 14385.8122 247.9031 -203519.1230 2607.5747 0.0000 0.0000 51961.2109 -109922.0639 298.6218 -161883.2748 -109562.8486 298.8652 2.4257 31.5960 760056.9135 -4.9245 -4.9450 PRESSURE: 4959800 -322.513 -257.766 80.7817 -257.767 -356.854 216.66 80.782 216.659 -113.609 GPRESSURE: 4959800 -257.704 -223.587 -45.77 -204.478 -309.859 238.619 244.729 224.831 -123.964 PRESSAVG: 4959800 12.475 -44.5353 9.37472 -44.5352 29.7575 -4.20375 9.37475 -4.20371 -15.264 GPRESSAVG: 4959800 12.2057 -47.2451 10.0729 -42.7927 30.0192 -2.9841 8.11726 -4.24647 -15.5647 TIMING: 4959800 CPU: 15974.3, 0.00310981/step Wall: 15974.3, 0.00310981/step, 0.0347262 hours remaining, 235.941406 MB of memory in use. ENERGY: 4959800 4012.7372 20529.1254 14488.3570 247.4565 -203533.6289 2416.1897 0.0000 0.0000 51892.8288 -109946.9342 298.2288 -161839.7630 -109599.3709 298.4465 -264.3251 -230.5087 762058.5013 8.9895 8.8867 PRESSURE: 4960000 184.25 -229.881 164.883 -229.882 -186.708 211.702 164.883 211.703 24.914 GPRESSURE: 4960000 135.637 -190.221 217.395 -238.464 -129.57 178.219 157.19 122.688 110.443 PRESSAVG: 4960000 28.6958 -86.7901 29.3827 -86.7901 -21.4433 11.3304 29.3827 11.3303 6.75853 GPRESSAVG: 4960000 27.4468 -85.112 28.7028 -87.4613 -21.5328 12.1464 30.9101 12.1579 7.75808 TIMING: 4960000 CPU: 15974.9, 0.00312092/step Wall: 15974.9, 0.00312092/step, 0.0346769 hours remaining, 235.941406 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: 4960000 4028.1258 20345.8534 14622.6542 249.5661 -203886.6117 2885.2366 0.0000 0.0000 51839.4491 -109915.7265 297.9220 -161755.1757 -109562.4842 298.3291 7.4855 38.8368 759425.7244 4.6703 4.5574 PRESSURE: 4960200 203.911 51.7349 198.974 51.7347 -24.8494 6.94493 198.975 6.94574 -32.8975 GPRESSURE: 4960200 228.02 88.9033 308.699 72.6447 -4.63207 36.2894 134.151 -4.1571 -1.8559 PRESSAVG: 4960200 15.8364 -43.8795 27.2061 -43.8795 -25.7361 -35.9179 27.2061 -35.9178 2.85036 GPRESSAVG: 4960200 16.8071 -44.7689 27.8277 -43.7292 -25.8145 -36.1077 25.4866 -36.3772 2.12754 TIMING: 4960200 CPU: 15975.5, 0.00313313/step Wall: 15975.5, 0.00313313/step, 0.0346385 hours remaining, 235.941406 MB of memory in use. ENERGY: 4960200 3912.4436 20380.6279 14480.8774 228.4526 -203658.5537 2627.0055 0.0000 0.0000 52135.3542 -109893.7925 299.6226 -162029.1467 -109533.5095 298.4792 48.7214 73.8442 759648.4000 -2.3498 -2.2933 LDB: ============= START OF LOAD BALANCING ============== 15988 LDB: ============== END OF LOAD BALANCING =============== 15988 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15988 LDB: ============= START OF LOAD BALANCING ============== 15988.3 LDB: Largest compute 7075 load 0.039018 is 20.0% of average load 0.195553 LDB: Average compute 0.004392 is 2.2% of average load 0.195553 LDB: TIME 15988.3 LOAD: AVG 0.195553 MAX 0.214704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.199 MB LDB: TIME 15988.3 LOAD: AVG 0.195553 MAX 0.214704 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: TIME 15988.3 LOAD: AVG 0.195553 MAX 0.214704 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: ============== END OF LOAD BALANCING =============== 15988.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15988.3 PRESSURE: 4960400 -64.9772 -77.3521 65.0976 -77.351 -29.833 -26.5913 65.0982 -26.5918 74.1265 GPRESSURE: 4960400 -51.1232 -171.138 131.27 -48.8627 30.8251 5.75936 76.8635 -31.4325 77.2066 PRESSAVG: 4960400 7.43218 -28.927 44.6637 -28.9269 19.0649 -10.0637 44.6636 -10.0637 -18.7209 GPRESSAVG: 4960400 7.49415 -31.4127 44.4778 -28.866 19.0879 -8.66082 47.6646 -11.0023 -19.303 TIMING: 4960400 CPU: 15976.2, 0.00318902/step Wall: 15976.2, 0.00318902/step, 0.0350792 hours remaining, 236.425781 MB of memory in use. ENERGY: 4960400 4014.8140 20537.3267 14475.2531 267.1737 -203849.6634 2823.8758 0.0000 0.0000 52154.9316 -109576.2885 299.7351 -161731.2201 -109212.8251 299.3477 -6.8946 18.9695 759649.4944 2.5921 2.4264 PRESSURE: 4960600 355.857 -66.1566 -110.646 -66.1563 171.801 45.0868 -110.647 45.0867 0.717627 GPRESSURE: 4960600 380.622 83.608 -36.1113 12.1214 161.454 65.6967 33.2164 54.401 85.4899 PRESSAVG: 4960600 11.3977 -55.0934 22.083 -55.0934 4.68824 -20.9271 22.083 -20.9271 26.5418 GPRESSAVG: 4960600 11.0871 -50.1811 22.9599 -55.0175 4.66155 -22.5284 20.373 -20.3158 27.3836 TIMING: 4960600 CPU: 15976.8, 0.00312092/step Wall: 15976.8, 0.00312092/step, 0.0341568 hours remaining, 236.425781 MB of memory in use. ENERGY: 4960600 4027.0496 20361.4369 14494.4874 253.2677 -203369.5018 2377.9604 0.0000 0.0000 52193.7526 -109661.5472 299.9582 -161855.2998 -109298.6081 299.0008 176.1254 209.1888 759757.9294 14.2092 14.3774 PRESSURE: 4960800 -152.073 -13.2633 60.2334 -13.2632 -547.749 113.101 60.2329 113.1 -168.376 GPRESSURE: 4960800 -110.255 -141.361 81.3729 29.3822 -478.185 91.3361 -11.2251 76.8969 -187.572 PRESSAVG: 4960800 52.6725 45.7293 4.52165 45.7293 -67.1838 -50.4972 4.52165 -50.4973 1.75635 GPRESSAVG: 4960800 52.9078 46.2392 5.19337 45.4934 -67.3343 -50.8487 4.82203 -51.3174 1.43653 TIMING: 4960800 CPU: 15977.4, 0.00313635/step Wall: 15977.4, 0.00313635/step, 0.0341513 hours remaining, 236.425781 MB of memory in use. ENERGY: 4960800 3959.6094 20563.1079 14550.5959 240.0780 -202821.8777 2111.1126 0.0000 0.0000 51812.4464 -109584.9275 297.7668 -161397.3739 -109228.3537 299.1951 -289.3993 -258.6706 760582.0708 -4.2516 -4.3300 PRESSURE: 4961000 -134.466 125.65 -27.0812 125.65 -330.085 113.922 -27.0809 113.922 -241.412 GPRESSURE: 4961000 -119.725 156.437 -97.7576 86.7133 -290.42 8.94272 -80.0953 96.4999 -215.689 PRESSAVG: 4961000 -6.11114 31.1379 -82.6947 31.1378 -36.9222 40.2137 -82.6947 40.2138 16.2396 GPRESSAVG: 4961000 -5.71675 32.2358 -82.9231 31.3166 -37.223 38.6379 -84.7009 42.4739 16.156 TIMING: 4961000 CPU: 15978.1, 0.00312803/step Wall: 15978.1, 0.00312803/step, 0.033887 hours remaining, 236.425781 MB of memory in use. ENERGY: 4961000 3976.9151 20478.2328 14463.0204 242.9453 -203047.9352 2471.2379 0.0000 0.0000 51817.7896 -109597.7939 297.7975 -161415.5836 -109235.2739 298.9496 -235.3212 -208.6113 762123.3269 -8.9312 -8.9279 PRESSURE: 4961200 145.202 163.727 75.1437 163.726 -49.8266 50.8547 75.1447 50.8555 547.467 GPRESSURE: 4961200 170.071 89.724 0.470809 33.1167 -62.1143 9.88476 3.43678 106.963 625.313 PRESSAVG: 4961200 19.1409 23.0231 -22.7927 23.0231 -39.0074 -1.60014 -22.7927 -1.60007 4.51234 GPRESSAVG: 4961200 18.1682 20.0186 -23.7224 22.0254 -37.9885 0.389854 -23.0162 -3.22593 4.18174 TIMING: 4961200 CPU: 15978.7, 0.00312087/step Wall: 15978.7, 0.00312087/step, 0.033636 hours remaining, 236.425781 MB of memory in use. ENERGY: 4961200 3972.5871 20536.6470 14493.7241 239.6814 -203229.6874 2629.2323 0.0000 0.0000 52010.8023 -109347.0133 298.9068 -161357.8155 -108991.0769 299.6112 214.2806 244.4231 760723.9533 -5.1180 -5.2129 PRESSURE: 4961400 538.494 210.756 179.89 210.755 489.27 82.2745 179.89 82.2738 46.3886 GPRESSURE: 4961400 529.758 96.6907 206.988 205.353 544.132 124.047 42.8402 185.239 85.8106 PRESSAVG: 4961400 31.9533 -29.1068 -29.2936 -29.1068 10.9804 43.4066 -29.2936 43.4066 20.7546 GPRESSAVG: 4961400 32.1387 -28.4875 -28.3723 -29.8266 10.3814 41.8842 -28.8989 45.2483 21.1151 TIMING: 4961400 CPU: 15979.3, 0.00312866/step Wall: 15979.3, 0.00312866/step, 0.0335462 hours remaining, 236.425781 MB of memory in use. ENERGY: 4961400 4038.9906 20463.0582 14471.6071 240.2543 -203536.1915 2707.7746 0.0000 0.0000 52075.4961 -109539.0106 299.2786 -161614.5067 -109180.2519 299.5243 358.0509 386.5668 759437.4755 21.2295 21.2117 PRESSURE: 4961600 28.7015 -8.87831 -232.264 -8.8774 -195.235 156.178 -232.264 156.178 174.448 GPRESSURE: 4961600 160.655 -11.1694 -259.899 80.6531 -293.839 122.162 -126.263 166.73 205.895 PRESSAVG: 4961600 4.49242 42.0274 -21.2306 42.0275 0.679919 65.6206 -21.2306 65.6205 23.4532 GPRESSAVG: 4961600 5.81774 42.889 -21.5991 41.5637 -0.182629 66.8627 -19.7246 64.7042 22.8059 TIMING: 4961600 CPU: 15979.9, 0.0031283/step Wall: 15979.9, 0.0031283/step, 0.0333685 hours remaining, 236.425781 MB of memory in use. ENERGY: 4961600 3999.9366 20426.0703 14552.4876 232.9989 -203489.5165 2598.0479 0.0000 0.0000 52084.6785 -109595.2966 299.3314 -161679.9752 -109236.2233 298.9887 2.6382 24.2372 759996.9437 9.5419 9.4804 PRESSURE: 4961800 77.3022 -155.355 9.93673 -155.355 -41.1629 -81.2962 9.93684 -81.2958 104.47 GPRESSURE: 4961800 80.371 -165.411 44.872 -141.09 -15.4591 -98.0848 53.4239 -32.3828 151.1 PRESSAVG: 4961800 8.4973 -28.3462 16.2526 -28.3463 -40.672 47.6821 16.2526 47.6822 -1.2716 GPRESSAVG: 4961800 6.90598 -29.094 17.3211 -27.2292 -40.9943 46.5793 16.4723 49.4408 0.740644 TIMING: 4961800 CPU: 15980.6, 0.00314245/step Wall: 15980.6, 0.00314245/step, 0.0333449 hours remaining, 236.425781 MB of memory in use. ENERGY: 4961800 3923.8518 20510.2572 14463.4679 243.5078 -203525.2349 2572.6837 0.0000 0.0000 52057.9751 -109753.4915 299.1779 -161811.4666 -109395.3221 298.4148 46.8699 72.0039 760602.5937 -11.1488 -11.1159 PRESSURE: 4962000 55.2265 295.908 -140.719 295.908 -26.7307 -119.636 -140.72 -119.636 24.1982 GPRESSURE: 4962000 79.7238 270.845 -169.131 204.588 16.6074 -86.0849 -148.262 -203.61 36.1706 PRESSAVG: 4962000 -60.1907 10.8995 21.6223 10.8994 8.73645 -19.5534 21.6223 -19.5533 23.6769 GPRESSAVG: 4962000 -60.2785 10.2844 21.6108 11.412 10.3074 -18.9859 21.5158 -22.094 21.7977 TIMING: 4962000 CPU: 15981.2, 0.00312724/step Wall: 15981.2, 0.00312724/step, 0.0330097 hours remaining, 236.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4962000 3970.5383 20375.4183 14541.3103 247.2442 -203313.0194 2403.3170 0.0000 0.0000 52121.0667 -109654.1247 299.5405 -161775.1914 -109287.0111 298.4405 17.5647 44.1673 759712.4079 -9.2591 -9.3911 PRESSURE: 4962200 -312.453 -37.4974 51.638 -37.4961 -251.482 182.948 51.6387 182.947 4.80701 GPRESSURE: 4962200 -221.441 -138.539 64.166 49.7436 -224.744 198.877 4.91922 182.952 -21.5817 PRESSAVG: 4962200 -11.0964 -4.54882 10.6083 -4.54883 21.4335 47.1939 10.6083 47.1939 0.120328 GPRESSAVG: 4962200 -9.97146 -4.67047 11.4084 -5.52698 21.1068 48.3012 9.86972 46.1639 0.0133672 TIMING: 4962200 CPU: 15981.8, 0.00314192/step Wall: 15981.8, 0.00314192/step, 0.0329901 hours remaining, 236.425781 MB of memory in use. ENERGY: 4962200 3954.0296 20505.3458 14539.2388 251.7366 -203473.6141 2618.7361 0.0000 0.0000 52107.2644 -109497.2628 299.4612 -161604.5272 -109139.0310 298.9781 -186.3760 -155.9224 760637.7744 3.4858 3.7162 PRESSURE: 4962400 -256.204 59.8192 -43.6592 59.8185 -56.262 -140.608 -43.6582 -140.608 -454.009 GPRESSURE: 4962400 -192.993 139.809 -71.2625 112.999 -82.3443 -8.26014 -29.5803 -175.272 -404.686 PRESSAVG: 4962400 -32.6825 32.4775 -8.42929 32.4776 35.4673 18.9448 -8.42937 18.9447 -7.09256 GPRESSAVG: 4962400 -32.7592 35.21 -10.8396 32.326 35.6461 18.4059 -9.81453 19.0482 -7.05168 TIMING: 4962400 CPU: 15982.4, 0.00312822/step Wall: 15982.4, 0.00312822/step, 0.0326725 hours remaining, 236.425781 MB of memory in use. ENERGY: 4962400 3944.1167 20535.9413 14487.9898 243.1797 -203206.6476 2380.1062 0.0000 0.0000 51894.9329 -109720.3810 298.2409 -161615.3139 -109367.6175 299.4097 -255.4916 -226.6744 762815.3088 -1.4359 -1.3883 PRESSURE: 4962600 -284.533 -122.164 -173.668 -122.162 -279.999 99.432 -173.669 99.4326 28.886 GPRESSURE: 4962600 -192.224 -186.799 -92.0184 -79.3579 -206.36 110.671 -158.329 59.3323 -49.0802 PRESSAVG: 4962600 -20.0309 -15.2109 -28.5383 -15.2109 7.00402 33.1409 -28.5384 33.141 -18.4141 GPRESSAVG: 4962600 -20.0386 -16.43 -27.6358 -14.6381 6.73171 32.7146 -27.9719 34.1849 -18.0279 TIMING: 4962600 CPU: 15983.1, 0.0031393/step Wall: 15983.1, 0.0031393/step, 0.0326138 hours remaining, 236.425781 MB of memory in use. ENERGY: 4962600 3962.8476 20534.6958 14445.1392 242.6682 -203375.1103 2400.2063 0.0000 0.0000 52169.1054 -109620.4479 299.8166 -161789.5534 -109253.9124 298.9558 -178.5486 -149.2215 762068.7998 -10.4803 -10.4449 PRESSURE: 4962800 -394.789 63.4373 112.554 63.4374 -195.337 -76.5236 112.554 -76.5247 -282.45 GPRESSURE: 4962800 -254.282 46.6814 90.3008 139.54 -231.646 41.4465 96.4921 -216.712 -302.681 PRESSAVG: 4962800 1.30426 -3.74713 20.9488 -3.74714 34.2441 -8.82056 20.9489 -8.82058 1.18428 GPRESSAVG: 4962800 2.18837 -5.65856 21.5376 -3.74259 34.6713 -8.72957 20.6518 -11.0785 0.203269 TIMING: 4962800 CPU: 15983.7, 0.00313243/step Wall: 15983.7, 0.00313243/step, 0.0323684 hours remaining, 236.425781 MB of memory in use. ENERGY: 4962800 3973.7716 20636.7075 14377.4633 252.5492 -202940.1442 2309.5173 0.0000 0.0000 52063.0932 -109327.0421 299.2073 -161390.1353 -108974.5977 299.3471 -290.8586 -262.8698 762052.7341 12.2442 12.3543 PRESSURE: 4963000 162.211 94.6172 -104.878 94.6163 227.205 -7.56394 -104.878 -7.56526 248.468 GPRESSURE: 4963000 139.992 24.2604 -17.297 175.457 350.691 -92.3613 -147.6 -39.9046 217.373 PRESSAVG: 4963000 -5.31694 8.74374 -11.4314 8.74373 -39.4637 -36.4722 -11.4314 -36.4723 3.2715 GPRESSAVG: 4963000 -6.2442 10.1616 -11.0611 9.98405 -39.277 -36.6175 -12.9251 -34.4426 3.71666 TIMING: 4963000 CPU: 15984.3, 0.00313133/step Wall: 15984.3, 0.00313133/step, 0.0321831 hours remaining, 236.425781 MB of memory in use. ENERGY: 4963000 4009.7945 20501.2489 14444.7611 239.9398 -203153.8077 2638.2972 0.0000 0.0000 52042.4553 -109277.3108 299.0887 -161319.7661 -108913.4270 299.6802 212.6280 236.0183 760713.5346 -13.8364 -13.9348 PRESSURE: 4963200 -40.8582 26.1226 148.498 26.1224 -31.2724 105.352 148.499 105.352 -196.894 GPRESSURE: 4963200 -53.7223 22.8135 127.561 98.1855 55.9406 25.8121 195.041 114.634 -176.583 PRESSAVG: 4963200 -52.3942 -11.4462 44.0021 -11.4462 12.7796 -6.37743 44.002 -6.37737 -11.9336 GPRESSAVG: 4963200 -52.7809 -12.0399 42.1841 -12.7583 12.472 -6.63187 45.6531 -6.01284 -11.6861 TIMING: 4963200 CPU: 15985, 0.00312043/step Wall: 15985, 0.00312043/step, 0.0318978 hours remaining, 236.425781 MB of memory in use. ENERGY: 4963200 3954.4548 20477.6612 14479.7576 275.4852 -203080.8704 2332.2218 0.0000 0.0000 52209.4962 -109351.7937 300.0487 -161561.2899 -108984.7492 299.6961 -89.6750 -58.1216 760915.3558 -17.1828 -17.3317 PRESSURE: 4963400 206.055 -37.6687 63.5747 -37.6691 79.9634 2.22195 63.5743 2.22197 -158.481 GPRESSURE: 4963400 133.897 9.08667 -3.86351 -8.93956 161.666 -1.478 151.216 -15.5153 -102.292 PRESSAVG: 4963400 -69.2572 -31.7462 -13.0249 -31.7462 78.7867 -9.2854 -13.0249 -9.28536 -6.08366 GPRESSAVG: 4963400 -70.8751 -32.1829 -12.7655 -30.4143 79.5224 -10.0811 -11.6967 -10.7443 -5.60553 TIMING: 4963400 CPU: 15985.6, 0.0031291/step Wall: 15985.6, 0.0031291/step, 0.0318125 hours remaining, 236.425781 MB of memory in use. ENERGY: 4963400 3952.9809 20481.9833 14480.9738 233.4813 -203499.0935 2642.3389 0.0000 0.0000 52319.0670 -109388.2683 300.6784 -161707.3353 -109020.1823 300.1423 42.5124 64.4237 759652.7123 1.1486 1.0139 PRESSURE: 4963600 -392.964 -112.448 -35.8546 -112.447 -574.171 119.355 -35.8549 119.356 -174.337 GPRESSURE: 4963600 -283.828 -113.569 -38.0769 -35.4885 -620.035 156.354 23.1176 287.189 -160.892 PRESSAVG: 4963600 -42.4603 -2.19616 10.5771 -2.19613 16.7934 46.6202 10.5772 46.6202 -15.3711 GPRESSAVG: 4963600 -40.1035 -2.86285 11.121 -2.22428 15.4988 47.053 9.07538 48.096 -16.0434 TIMING: 4963600 CPU: 15986.2, 0.00313907/step Wall: 15986.2, 0.00313907/step, 0.0317395 hours remaining, 236.425781 MB of memory in use. ENERGY: 4963600 4007.4313 20414.9083 14465.4525 257.7445 -202556.4447 2046.4259 0.0000 0.0000 51892.5734 -109471.9089 298.2273 -161364.4822 -109103.5045 299.3649 -380.4906 -354.9187 761965.4934 -13.6793 -13.5494 PRESSURE: 4963800 -340.738 87.2316 -76.9993 87.2315 87.0947 28.8525 -76.9993 28.852 -217.11 GPRESSURE: 4963800 -348.881 190.197 -132.436 29.8663 131.217 -31.4883 -27.837 -23.5536 -158.056 PRESSAVG: 4963800 -50.701 -12.768 27.8596 -12.768 19.3687 10.0645 27.8596 10.0645 -5.88466 GPRESSAVG: 4963800 -50.1443 -11.2589 27.7212 -15.6289 20.3039 9.52791 27.6987 9.80538 -6.82494 TIMING: 4963800 CPU: 15986.8, 0.00313868/step Wall: 15986.8, 0.00313868/step, 0.0315612 hours remaining, 236.425781 MB of memory in use. ENERGY: 4963800 4020.3992 20603.8885 14454.8318 268.1611 -203529.4299 2606.1757 0.0000 0.0000 52041.4237 -109534.5498 299.0828 -161575.9735 -109183.9189 298.8305 -156.9177 -125.2399 761525.9309 -12.4057 -12.2218 PRESSURE: 4964000 -77.2844 -66.797 99.2535 -66.7978 -170.257 124.18 99.2534 124.18 -119.404 GPRESSURE: 4964000 -58.2499 -126.43 99.8792 -127.703 -98.5906 125.85 117.24 273.875 -123.496 PRESSAVG: 4964000 6.33796 9.7865 -38.8741 9.78652 -0.443056 4.74737 -38.874 4.74741 -4.65396 GPRESSAVG: 4964000 5.78551 9.85916 -39.2208 12.1615 -1.78452 5.95559 -37.5193 6.38912 -2.54873 TIMING: 4964000 CPU: 15987.5, 0.00313133/step Wall: 15987.5, 0.00313133/step, 0.0313133 hours remaining, 236.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4964000 3947.3874 20569.0193 14418.7217 237.0324 -202994.3584 2192.1877 0.0000 0.0000 52246.1291 -109383.8808 300.2592 -161630.0100 -109018.4358 299.5394 -122.3152 -93.4455 761328.7878 0.4136 0.4841 PRESSURE: 4964200 35.6351 127.177 -24.681 127.177 3.26892 151.724 -24.6816 151.725 -199.218 GPRESSURE: 4964200 116.51 198.361 -19.4706 142.092 59.2958 189.838 -87.2282 -2.00705 -243.315 PRESSAVG: 4964200 -59.2916 -7.09655 6.32916 -7.09655 35.1148 -15.2116 6.32916 -15.2117 -7.68121 GPRESSAVG: 4964200 -58.1798 -7.32909 7.20059 -7.82895 36.1585 -14.491 4.86453 -17.5568 -10.3685 TIMING: 4964200 CPU: 15988.1, 0.00314742/step Wall: 15988.1, 0.00314742/step, 0.0312993 hours remaining, 236.425781 MB of memory in use. ENERGY: 4964200 3978.5561 20364.1405 14538.5466 236.1615 -203032.4922 2427.8389 0.0000 0.0000 52186.3996 -109300.8488 299.9160 -161487.2484 -108943.2485 299.7869 -53.4379 -22.5032 762279.9209 -10.6193 -10.7966 LDB: ============= START OF LOAD BALANCING ============== 16000.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 16000.5 LDB: =============== DONE WITH MIGRATION ================ 16000.5 LDB: ============= START OF LOAD BALANCING ============== 16000.8 LDB: Largest compute 7075 load 0.037662 is 19.3% of average load 0.195533 LDB: Average compute 0.004389 is 2.2% of average load 0.195533 LDB: TIME 16000.8 LOAD: AVG 0.195533 MAX 0.215545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.996 MB LDB: TIME 16000.8 LOAD: AVG 0.195533 MAX 0.215545 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.066 MB LDB: TIME 16000.8 LOAD: AVG 0.195533 MAX 0.215545 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.066 MB LDB: ============== END OF LOAD BALANCING =============== 16000.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16000.8 PRESSURE: 4964400 -118.244 -49.5905 24.0511 -49.5897 -103.439 -161.88 24.0496 -161.88 90.3002 GPRESSURE: 4964400 -97.2788 -185.576 -2.08418 -26.9603 -111.104 -84.2402 -36.7324 -123.498 164.625 PRESSAVG: 4964400 10.0759 -17.0578 -16.3368 -17.0578 12.8331 -1.67238 -16.3368 -1.67245 -0.730737 GPRESSAVG: 4964400 9.3452 -17.5765 -15.1108 -15.9578 11.2874 -1.79561 -14.7197 -2.65938 1.26132 TIMING: 4964400 CPU: 15988.7, 0.00322051/step Wall: 15988.7, 0.00322051/step, 0.0318472 hours remaining, 235.187500 MB of memory in use. ENERGY: 4964400 4026.8754 20537.5124 14459.6113 229.5839 -202747.5271 2178.7546 0.0000 0.0000 52106.8031 -109208.3865 299.4585 -161315.1895 -108842.1860 299.4345 -43.7941 -14.5859 761401.2196 7.3928 7.2980 PRESSURE: 4964600 426.16 -75.7032 102.398 -75.703 -213.937 236.324 102.397 236.325 40.6385 GPRESSURE: 4964600 340.236 2.49623 65.4299 -126.622 -140.911 222.685 26.2323 291.239 138.968 PRESSAVG: 4964600 -52.3296 -21.857 1.03073 -21.8569 56.2457 3.60056 1.03077 3.60063 20.7143 GPRESSAVG: 4964600 -53.3068 -22.6911 0.549328 -23.5103 57.8571 3.82103 0.708983 3.55795 19.5565 TIMING: 4964600 CPU: 15989.4, 0.00312984/step Wall: 15989.4, 0.00312984/step, 0.0307768 hours remaining, 235.445312 MB of memory in use. ENERGY: 4964600 4026.5413 20655.7366 14403.6162 248.8688 -203314.8445 2543.0702 0.0000 0.0000 52220.9058 -109216.1056 300.1143 -161437.0114 -108854.4159 299.7096 84.2869 112.7645 760928.4702 8.2102 8.0356 PRESSURE: 4964800 -30.5819 12.4181 -126.414 12.4175 -0.407998 18.7557 -126.413 18.756 530.532 GPRESSURE: 4964800 40.6555 0.628562 -115.279 33.6078 26.0453 -53.5898 -135.044 -32.8621 532.31 PRESSAVG: 4964800 8.41444 12.4711 23.3115 12.4711 15.5527 -6.26858 23.3115 -6.26849 -15.1997 GPRESSAVG: 4964800 8.74685 10.8005 22.3333 12.9471 15.0377 -8.56693 22.2353 -1.07175 -14.8579 TIMING: 4964800 CPU: 15990, 0.00315409/step Wall: 15990, 0.00315409/step, 0.03084 hours remaining, 235.582031 MB of memory in use. ENERGY: 4964800 4000.5363 20508.8002 14433.9027 238.2120 -202653.0430 2205.4909 0.0000 0.0000 52272.5711 -108993.5297 300.4112 -161266.1008 -108623.1889 300.1087 166.5141 199.6704 761207.4009 2.9225 2.9755 PRESSURE: 4965000 -115.264 -98.314 -54.9893 -98.3144 -550.197 -83.3017 -54.9888 -83.3017 -14.4575 GPRESSURE: 4965000 -75.1772 59.8651 -65.4107 -51.8275 -486.581 -122.758 90.1906 -122.311 -38.6294 PRESSAVG: 4965000 -30.4176 -0.324013 -18.1302 -0.324022 43.4496 -20.5952 -18.1302 -20.5951 -19.5385 GPRESSAVG: 4965000 -30.8309 2.80026 -18.6333 -0.897456 43.2837 -19.996 -16.4119 -24.8537 -19.0193 TIMING: 4965000 CPU: 15990.6, 0.00312408/step Wall: 15990.6, 0.00312408/step, 0.030373 hours remaining, 235.582031 MB of memory in use. ENERGY: 4965000 4012.4148 20435.8081 14465.3866 244.7862 -202757.1729 2233.7628 0.0000 0.0000 52392.6358 -108972.3787 301.1012 -161365.0145 -108599.0565 299.7029 -226.6393 -200.1290 761368.4631 -2.1689 -2.1888 PRESSURE: 4965200 -0.502599 35.794 83.0848 35.7948 48.8191 35.9047 83.0845 35.9045 -449.215 GPRESSURE: 4965200 -18.0566 -6.59095 93.4329 2.38828 110.76 19.5811 -47.4626 165.539 -404.802 PRESSAVG: 4965200 17.1746 -8.58148 -70.3102 -8.58147 6.60499 34.4726 -70.3101 34.4727 7.53916 GPRESSAVG: 4965200 17.396 -9.7598 -68.208 -8.10821 6.59753 34.333 -72.168 36.0669 7.19639 TIMING: 4965200 CPU: 15991.2, 0.00313963/step Wall: 15991.2, 0.00313963/step, 0.0303498 hours remaining, 235.781250 MB of memory in use. ENERGY: 4965200 3859.4367 20692.5173 14444.4278 249.1439 -202834.7059 2412.6970 0.0000 0.0000 52152.2289 -109024.2544 299.7196 -161176.4833 -108646.9165 299.8695 -133.6330 -104.0327 762829.7435 10.4396 10.3966 PRESSURE: 4965400 -180.262 34.3008 -98.6536 34.2997 207.8 9.02653 -98.6543 9.02582 -161.729 GPRESSURE: 4965400 -109.814 41.3066 -129.38 69.6198 84.128 130.033 16.6538 -66.859 -7.0901 PRESSAVG: 4965400 -10.2565 -55.5116 2.18397 -55.5117 -0.161267 -1.08616 2.18396 -1.08616 15.9667 GPRESSAVG: 4965400 -10.2382 -53.7653 0.817155 -55.5191 -0.412943 -0.814303 3.12428 -4.69737 16.347 TIMING: 4965400 CPU: 15991.9, 0.00315596/step Wall: 15991.9, 0.00315596/step, 0.0303323 hours remaining, 235.980469 MB of memory in use. ENERGY: 4965400 4029.5361 20443.2486 14472.4069 250.7616 -202939.1158 2523.0661 0.0000 0.0000 52243.3468 -108976.7497 300.2432 -161220.0965 -108612.8586 300.0937 -44.7305 -10.9253 761230.2710 1.8496 1.8986 PRESSURE: 4965600 36.4762 95.6369 192.995 95.6371 52.2271 158.248 192.995 158.249 116.965 GPRESSURE: 4965600 49.4033 -13.7676 187.211 116.482 92.1534 91.4316 194.712 100.53 145.94 PRESSAVG: 4965600 2.8069 -16.2386 -51.4855 -16.2386 -19.1091 -13.6465 -51.4856 -13.6465 -21.2844 GPRESSAVG: 4965600 2.00133 -18.5541 -52.5362 -16.263 -17.5892 -14.087 -51.2122 -11.0766 -21.6606 TIMING: 4965600 CPU: 15992.5, 0.00313596/step Wall: 15992.5, 0.00313596/step, 0.0299659 hours remaining, 235.980469 MB of memory in use. ENERGY: 4965600 3927.8054 20470.5714 14417.5049 238.6777 -203011.1909 2400.1443 0.0000 0.0000 52452.7863 -109103.7008 301.4469 -161556.4871 -108739.9779 299.6677 68.5562 95.8322 760913.4832 -12.5289 -12.4162 PRESSURE: 4965800 45.2468 48.9105 -178.93 48.9108 -160.907 102.657 -178.93 102.658 -73.8912 GPRESSURE: 4965800 31.3794 51.1654 -115.135 37.0659 -106.76 -1.15055 -111.911 41.6323 -11.4622 PRESSAVG: 4965800 -25.6136 -10.4593 -33.585 -10.4593 11.7048 14.3344 -33.5849 14.3344 -7.25691 GPRESSAVG: 4965800 -24.6287 -8.25402 -32.1446 -10.5804 11.3401 14.3455 -34.5538 14.1516 -7.66816 TIMING: 4965800 CPU: 15993.1, 0.00315669/step Wall: 15993.1, 0.00315669/step, 0.0299885 hours remaining, 235.980469 MB of memory in use. ENERGY: 4965800 3939.7171 20495.3393 14440.7034 259.5897 -202727.6864 2402.5155 0.0000 0.0000 52217.8075 -108972.0138 300.0965 -161189.8213 -108606.3519 299.9024 -63.1837 -28.9475 760444.9618 -7.0552 -6.9856 PRESSURE: 4966000 -108.998 -127.264 -43.3632 -127.265 -195.869 226.954 -43.3626 226.955 -154.515 GPRESSURE: 4966000 -61.8201 -25.1095 -119.405 -108.162 -197.123 179.166 -97.3436 174.274 -126.317 PRESSAVG: 4966000 14.3297 -46.136 13.4681 -46.136 -32.4007 35.2402 13.4681 35.2402 -17.4785 GPRESSAVG: 4966000 13.3866 -46.8087 12.7155 -44.8991 -31.8415 35.2478 14.0793 33.1281 -17.0257 TIMING: 4966000 CPU: 15993.8, 0.00316195/step Wall: 15993.8, 0.00316195/step, 0.0298629 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4966000 4035.8842 20524.2729 14533.3966 254.2501 -202521.4989 1971.8811 0.0000 0.0000 52247.1853 -108954.6287 300.2653 -161201.8140 -108592.5905 299.9054 -153.1274 -128.4200 759841.3756 -11.8498 -11.8269 PRESSURE: 4966200 0.656422 42.387 -54.1609 42.3865 -391.15 -29.1942 -54.1615 -29.1938 -556.448 GPRESSURE: 4966200 -47.6863 -69.511 -25.65 -99.9767 -247.145 74.2789 -96.0201 25.1708 -556.138 PRESSAVG: 4966200 7.75676 -48.9835 -5.44836 -48.9835 24.1804 -23.8221 -5.44837 -23.8221 15.8589 GPRESSAVG: 4966200 9.53308 -49.3851 -4.02914 -48.8014 23.4439 -22.5147 -6.97942 -22.0791 15.4062 TIMING: 4966200 CPU: 15994.4, 0.00313249/step Wall: 15994.4, 0.00313249/step, 0.0294106 hours remaining, 235.980469 MB of memory in use. ENERGY: 4966200 3990.9666 20657.7413 14438.1964 254.4250 -202814.9401 2294.0857 0.0000 0.0000 52244.1407 -108935.3843 300.2478 -161179.5251 -108577.7512 300.2982 -315.6473 -283.6562 759383.0269 15.9320 16.1277 PRESSURE: 4966400 -383.648 13.8556 -123.272 13.8557 -164.886 174.175 -123.272 174.175 -62.7484 GPRESSURE: 4966400 -338.305 -5.74585 -112.987 -73.9904 -135.897 188.027 -19.7401 108.59 -45.1176 PRESSAVG: 4966400 8.49548 -5.41265 -58.4047 -5.4127 -15.2805 19.4115 -58.4048 19.4116 -1.76551 GPRESSAVG: 4966400 7.43207 -4.11988 -61.5499 -6.56539 -16.0086 17.1469 -55.5225 21.0111 -0.431241 TIMING: 4966400 CPU: 15995, 0.00314239/step Wall: 15995, 0.00314239/step, 0.029329 hours remaining, 235.980469 MB of memory in use. ENERGY: 4966400 3977.8279 20393.8668 14496.2329 228.8810 -202616.3542 2381.0195 0.0000 0.0000 52042.2002 -109096.3260 299.0872 -161138.5262 -108728.9857 299.8184 -203.7609 -173.1063 761858.8810 -2.8502 -3.0026 PRESSURE: 4966600 93.9039 -66.2659 41.6654 -66.265 -51.598 129.206 41.6657 129.207 -58.7889 GPRESSURE: 4966600 172.48 -9.00895 41.2775 -51.3622 -6.91999 89.4747 18.4587 4.39812 -96.606 PRESSAVG: 4966600 6.10999 -31.1616 -18.6612 -31.1616 35.6086 14.1909 -18.6612 14.1909 -26.9959 GPRESSAVG: 4966600 6.94021 -32.3694 -17.2764 -30.8873 34.6869 15.0306 -19.854 11.8375 -27.3034 TIMING: 4966600 CPU: 15995.6, 0.00313399/step Wall: 15995.6, 0.00313399/step, 0.0290765 hours remaining, 235.980469 MB of memory in use. ENERGY: 4966600 3947.5374 20347.5971 14478.7233 265.3066 -202917.7762 2553.2635 0.0000 0.0000 52128.1206 -109197.2278 299.5810 -161325.3483 -108831.1423 299.3481 -5.4943 22.9848 760096.7932 4.9076 4.7746 PRESSURE: 4966800 -286.852 9.43319 107.864 9.43366 -32.956 37.3913 107.863 37.3925 -336.933 GPRESSURE: 4966800 -233.391 -40.7391 151.833 11.8203 -48.8122 50.9842 45.6949 -42.2561 -276.461 PRESSAVG: 4966800 -33.5414 9.16775 7.44135 9.16778 27.1172 -55.1201 7.44139 -55.1201 -27.2141 GPRESSAVG: 4966800 -35.3371 10.1117 8.02218 7.74895 27.882 -54.9156 7.90374 -55.0524 -27.0551 TIMING: 4966800 CPU: 15996.3, 0.00314151/step Wall: 15996.3, 0.00314151/step, 0.0289717 hours remaining, 235.980469 MB of memory in use. ENERGY: 4966800 3996.8496 20407.5398 14531.1083 236.2170 -202739.0509 2115.8764 0.0000 0.0000 52249.0521 -109202.4076 300.2760 -161451.4597 -108843.7843 299.6642 -218.9136 -186.2215 761369.8994 -11.2128 -11.5034 PRESSURE: 4967000 30.062 -277.565 -62.0901 -277.565 115.636 -360.96 -62.0904 -360.961 -109.072 GPRESSURE: 4967000 44.8951 -228.591 -32.283 -234.116 80.4702 -235.176 99.6416 -355.487 -11.5919 PRESSAVG: 4967000 2.0439 -28.6852 52.1134 -28.6852 10.2124 -7.22563 52.1134 -7.22565 1.37698 GPRESSAVG: 4967000 2.95132 -29.0039 52.4971 -27.0825 10.2393 -6.53269 52.6863 -6.82534 0.932054 TIMING: 4967000 CPU: 15996.9, 0.00313037/step Wall: 15996.9, 0.00313037/step, 0.0286951 hours remaining, 235.980469 MB of memory in use. ENERGY: 4967000 3946.2740 20608.5185 14514.4632 252.6153 -203319.1124 2403.8458 0.0000 0.0000 52198.6716 -109394.7240 299.9865 -161593.3956 -109045.2544 299.4926 12.2088 37.9245 761383.7132 4.5444 4.7076 PRESSURE: 4967200 -245.299 -60.9712 151.418 -60.9724 -306.51 -199.603 151.419 -199.604 -369.79 GPRESSURE: 4967200 -216.197 -6.16377 77.336 -23.8307 -312.494 -218.203 181.027 -120.291 -331.302 PRESSAVG: 4967200 51.1982 37.8603 4.62547 37.8602 -32.4599 -36.4832 4.62544 -36.4832 14.4774 GPRESSAVG: 4967200 49.9388 38.2591 2.85218 37.6092 -31.8084 -35.9185 4.01593 -35.8 15.2787 TIMING: 4967200 CPU: 15997.5, 0.00313804/step Wall: 15997.5, 0.00313804/step, 0.0285911 hours remaining, 235.980469 MB of memory in use. ENERGY: 4967200 3983.1489 20481.7204 14532.3663 238.4314 -203315.6892 2637.8458 0.0000 0.0000 51936.3996 -109505.7768 298.4792 -161442.1764 -109158.2537 299.3441 -307.1996 -286.6642 762985.5855 11.0719 11.1364 PRESSURE: 4967400 55.7192 173.916 -10.7592 173.917 -85.795 -79.4898 -10.7602 -79.4916 -376.946 GPRESSURE: 4967400 -13.652 82.1813 58.4866 198.793 -20.166 11.9729 -98.3874 37.8428 -276.863 PRESSAVG: 4967400 53.815 -18.1455 -15.1203 -18.1455 -51.356 -21.6773 -15.1203 -21.6773 -17.5542 GPRESSAVG: 4967400 53.7658 -18.8684 -13.7975 -18.6919 -50.9641 -23.2302 -17.8035 -23.2328 -18.0185 TIMING: 4967400 CPU: 15998.2, 0.00314611/step Wall: 15998.2, 0.00314611/step, 0.0284897 hours remaining, 235.980469 MB of memory in use. ENERGY: 4967400 3998.5927 20567.0158 14474.0718 244.5205 -203457.8788 2393.9898 0.0000 0.0000 52232.8050 -109546.8832 300.1826 -161779.6882 -109181.5585 299.4366 -135.6740 -103.5604 760328.3394 -5.0318 -5.0722 PRESSURE: 4967600 127.243 60.7377 99.7501 60.7383 21.0579 -201.582 99.7502 -201.583 2.37715 GPRESSURE: 4967600 68.8435 121.175 152.737 27.0818 100.786 -240.423 30.0779 -246.119 88.0569 PRESSAVG: 4967600 15.8897 -22.3401 -26.69 -22.3401 27.7777 -17.6235 -26.6899 -17.6236 5.08509 GPRESSAVG: 4967600 15.8735 -22.4929 -27.1483 -21.5914 28.6253 -17.8996 -25.8061 -15.4836 4.31763 TIMING: 4967600 CPU: 15998.8, 0.00312717/step Wall: 15998.8, 0.00312717/step, 0.0281445 hours remaining, 235.980469 MB of memory in use. ENERGY: 4967600 3988.1770 20559.3141 14416.7358 251.0326 -203432.6142 2640.4149 0.0000 0.0000 52080.9666 -109495.9731 299.3100 -161576.9397 -109137.6215 299.1545 50.2260 85.8954 761593.6435 16.2508 16.2722 PRESSURE: 4967800 42.2431 -21.9085 318.144 -21.9095 -191.644 -67.4078 318.146 -67.4084 -196.32 GPRESSURE: 4967800 99.3253 59.2892 265.962 34.7304 -171.177 -190.26 221.718 -82.9434 -189.335 PRESSAVG: 4967800 -1.64008 -33.6015 27.4514 -33.6015 10.1598 -4.0468 27.4514 -4.04678 -5.71985 GPRESSAVG: 4967800 -0.410734 -32.586 26.528 -35.3541 8.28816 -2.98087 26.8955 -7.07023 -4.79644 TIMING: 4967800 CPU: 15999.4, 0.00313217/step Wall: 15999.4, 0.00313217/step, 0.0280155 hours remaining, 235.980469 MB of memory in use. ENERGY: 4967800 4053.6507 20565.6526 14452.4212 245.7463 -203913.7876 2764.6703 0.0000 0.0000 52116.6982 -109714.9482 299.5154 -161831.6464 -109355.4463 298.9267 -115.2403 -87.0621 760360.0667 0.9333 1.0270 PRESSURE: 4968000 -254.726 -3.98647 -148.613 -3.98678 -217.647 199.07 -148.613 199.069 -396.223 GPRESSURE: 4968000 -163.003 67.9258 -131.925 135.791 -261.391 197.468 4.38561 212.829 -365.844 PRESSAVG: 4968000 -14.9491 -42.4884 -34.2157 -42.4884 37.2863 -15.636 -34.2157 -15.636 16.5507 GPRESSAVG: 4968000 -14.1912 -44.2894 -33.1996 -40.3013 37.2154 -15.8335 -32.8085 -11.9465 16.334 TIMING: 4968000 CPU: 16000, 0.00314497/step Wall: 16000, 0.00314497/step, 0.0279553 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4968000 4048.3497 20521.5179 14539.6380 246.7172 -203319.2314 2375.1727 0.0000 0.0000 51779.5925 -109808.2434 297.5780 -161587.8359 -109456.0144 298.8154 -289.5323 -263.4126 761996.3105 12.9626 13.1194 PRESSURE: 4968200 -46.0174 185.729 -205.14 185.73 -27.3453 -62.6466 -205.14 -62.6463 166.248 GPRESSURE: 4968200 8.77156 218.371 -168.077 39.8664 17.9383 -53.0395 -146.642 14.3164 150.309 PRESSAVG: 4968200 26.8438 -5.77184 -60.2454 -5.77181 17.4177 -1.73489 -60.2454 -1.73505 10.6167 GPRESSAVG: 4968200 25.3811 -1.88127 -58.6702 -8.63841 17.9335 -1.66787 -59.012 -4.59087 11.1654 TIMING: 4968200 CPU: 16000.7, 0.00314038/step Wall: 16000.7, 0.00314038/step, 0.0277401 hours remaining, 235.980469 MB of memory in use. ENERGY: 4968200 4080.1909 20526.4803 14427.8648 239.7204 -203464.1613 2714.3578 0.0000 0.0000 51959.0564 -109516.4907 298.6094 -161475.5471 -109149.2098 298.8096 30.9618 59.0064 759593.5354 18.2927 18.1600 LDB: ============= START OF LOAD BALANCING ============== 16013.1 LDB: ============== END OF LOAD BALANCING =============== 16013.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16013.1 LDB: ============= START OF LOAD BALANCING ============== 16013.4 LDB: Largest compute 7075 load 0.036162 is 18.5% of average load 0.195566 LDB: Average compute 0.004384 is 2.2% of average load 0.195566 LDB: TIME 16013.4 LOAD: AVG 0.195566 MAX 0.215565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 16013.4 LOAD: AVG 0.195566 MAX 0.215565 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: TIME 16013.4 LOAD: AVG 0.195566 MAX 0.215565 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: ============== END OF LOAD BALANCING =============== 16013.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16013.4 PRESSURE: 4968400 255.469 64.2847 77.379 64.2853 718.394 129.892 77.3792 129.893 597.185 GPRESSURE: 4968400 350.206 138.732 77.5966 -23.3126 666.624 69.8275 -113.779 57.0932 638.088 PRESSAVG: 4968400 1.36303 -9.60573 27.0309 -9.60578 21.5979 18.7986 27.0309 18.7986 -17.0777 GPRESSAVG: 4968400 0.954583 -13.3063 25.1492 -7.49267 22.5963 16.8612 25.4003 17.9027 -17.4613 TIMING: 4968400 CPU: 16001.3, 0.0032081/step Wall: 16001.3, 0.0032081/step, 0.02816 hours remaining, 233.601562 MB of memory in use. ENERGY: 4968400 3976.4264 20715.8279 14439.8263 226.0486 -203494.7740 2751.7031 0.0000 0.0000 51972.0798 -109412.8620 298.6843 -161384.9418 -109049.6296 299.3584 523.6827 551.6394 758843.6878 1.9611 2.0298 PRESSURE: 4968600 -78.6124 43.2707 26.5125 43.2712 -142.962 59.5 26.5126 59.5002 -32.4946 GPRESSURE: 4968600 -114.365 175.453 60.8426 -35.6129 -102.835 -12.0109 97.2149 161.672 34.0282 PRESSAVG: 4968600 -30.9983 4.15997 20.5875 4.15997 11.9984 -8.90619 20.5875 -8.90621 19.3751 GPRESSAVG: 4968600 -30.8165 4.24416 22.4747 3.8121 12.2846 -5.14089 19.4074 -9.40022 18.7005 TIMING: 4968600 CPU: 16001.9, 0.00312956/step Wall: 16001.9, 0.00312956/step, 0.0272967 hours remaining, 233.601562 MB of memory in use. ENERGY: 4968600 4023.5459 20578.3424 14489.7893 237.4988 -203310.8702 2437.5327 0.0000 0.0000 52039.4715 -109504.6896 299.0716 -161544.1611 -109148.9463 299.3458 -84.6896 -61.0573 760029.0091 0.1250 0.0562 PRESSURE: 4968800 166.526 32.4096 -90.1714 32.4099 1.24027 55.7323 -90.1712 55.7322 -150.001 GPRESSURE: 4968800 237.153 59.9426 -12.9806 76.3065 -12.4999 -22.9121 -8.39165 118.38 -122.399 PRESSAVG: 4968800 35.0979 -74.3314 35.3811 -74.3314 -24.1077 -7.66244 35.3811 -7.66246 0.714403 GPRESSAVG: 4968800 35.3713 -74.0251 33.5574 -74.4659 -25.1489 -9.14969 37.1696 -7.6929 1.27759 TIMING: 4968800 CPU: 16002.6, 0.00312184/step Wall: 16002.6, 0.00312185/step, 0.027056 hours remaining, 233.601562 MB of memory in use. ENERGY: 4968800 3950.0333 20786.4025 14461.6894 237.3186 -203365.4705 2232.9685 0.0000 0.0000 51981.8878 -109715.1704 298.7406 -161697.0582 -109350.1083 299.4235 5.9218 34.0848 759366.6885 3.9016 3.8333 PRESSURE: 4969000 152.093 -267.518 121.67 -267.517 -317.207 18.5836 121.669 18.5831 -353.194 GPRESSURE: 4969000 211.632 -242.728 107.809 -207.892 -328.552 50.7823 56.5347 -66.855 -318.476 PRESSAVG: 4969000 42.6336 11.4062 -25.4461 11.4063 -47.159 -30.8479 -25.4462 -30.848 -22.0928 GPRESSAVG: 4969000 41.3561 11.7433 -25.4221 13.5633 -46.477 -31.4906 -26.7621 -31.1354 -21.6893 TIMING: 4969000 CPU: 16003.2, 0.0031218/step Wall: 16003.2, 0.0031218/step, 0.0268822 hours remaining, 233.601562 MB of memory in use. ENERGY: 4969000 4005.2941 20674.2380 14515.8839 253.6221 -203033.8028 2105.7044 0.0000 0.0000 51851.4402 -109627.6201 297.9909 -161479.0603 -109260.0447 298.8694 -172.7691 -145.1319 761109.6934 -8.8727 -8.9367 PRESSURE: 4969200 79.8492 -199.676 106.437 -199.676 74.7005 52.7891 106.437 52.7893 211.928 GPRESSURE: 4969200 197.544 -151.957 159.098 -78.8261 52.6896 93.3697 4.6087 126.999 223.679 PRESSAVG: 4969200 -9.9328 -40.8442 33.3885 -40.8442 -1.72832 -19.3425 33.3884 -19.3426 1.2848 GPRESSAVG: 4969200 -8.74004 -40.5316 33.0398 -41.9175 -3.0398 -18.7398 34.3363 -17.4479 1.90596 TIMING: 4969200 CPU: 16003.8, 0.0031339/step Wall: 16003.8, 0.00313389/step, 0.0268122 hours remaining, 233.601562 MB of memory in use. ENERGY: 4969200 3965.3332 20549.2397 14492.1986 244.8994 -203385.7441 2321.0011 0.0000 0.0000 52267.0197 -109546.0524 300.3793 -161813.0721 -109176.3515 299.3245 122.1593 157.9708 759067.3117 -3.4588 -3.2913 PRESSURE: 4969400 -93.3073 -38.7036 19.664 -38.7036 -193.953 103.861 19.6643 103.86 -199.734 GPRESSURE: 4969400 11.4493 -102.368 42.1797 46.5098 -221.618 -33.0858 -23.2834 -8.252 -213.884 PRESSAVG: 4969400 25.873 -18.9696 6.70026 -18.9695 -3.30481 -15.1677 6.70021 -15.1677 0.40644 GPRESSAVG: 4969400 25.1334 -20.5345 7.37951 -17.5924 -1.77564 -15.4969 6.40516 -15.8542 -0.25598 TIMING: 4969400 CPU: 16004.4, 0.00314235/step Wall: 16004.4, 0.00314235/step, 0.0267099 hours remaining, 233.601562 MB of memory in use. ENERGY: 4969400 3998.0173 20669.1386 14463.9991 257.1059 -203672.2153 2519.6219 0.0000 0.0000 52081.7409 -109682.5915 299.3145 -161764.3325 -109322.3296 299.3935 -162.3314 -141.3509 761303.7660 7.6582 7.7006 PRESSURE: 4969600 -185.432 -71.967 -106.098 -71.9666 -301.995 -104.651 -106.097 -104.652 -32.9282 GPRESSURE: 4969600 -207.301 -60.6967 -67.1822 -71.9104 -184.147 -163.541 -176.386 -80.5486 -6.39698 PRESSAVG: 4969600 20.1259 -38.1992 4.18913 -38.1992 -58.8757 -23.711 4.18909 -23.7109 -7.05342 GPRESSAVG: 4969600 21.2957 -37.168 5.75136 -37.2834 -59.0287 -24.2921 2.23953 -25.3108 -7.56692 TIMING: 4969600 CPU: 16005.1, 0.00313683/step Wall: 16005.1, 0.00313683/step, 0.0264888 hours remaining, 233.601562 MB of memory in use. ENERGY: 4969600 4060.0440 20441.5675 14424.4252 244.5353 -202963.1557 2339.5872 0.0000 0.0000 52008.4425 -109444.5540 298.8932 -161452.9965 -109076.6617 298.9393 -173.4517 -132.6149 762442.0876 -15.2677 -15.1000 PRESSURE: 4969800 49.6588 -3.07449 -29.3532 -3.07504 -92.4033 -13.9372 -29.3523 -13.9377 233.37 GPRESSURE: 4969800 104.606 -113.492 -39.4999 25.6705 -87.1537 -15.7336 109.211 44.4781 269.044 PRESSAVG: 4969800 13.8064 -75.4571 -3.22878 -75.4571 -12.8556 -51.7138 -3.22878 -51.7138 14.0966 GPRESSAVG: 4969800 12.4635 -75.3721 -4.79617 -77.8876 -12.9844 -51.3885 -1.53471 -49.7437 14.9623 TIMING: 4969800 CPU: 16005.7, 0.00311591/step Wall: 16005.7, 0.0031159/step, 0.026139 hours remaining, 233.601562 MB of memory in use. ENERGY: 4969800 3946.2329 20628.3068 14451.8547 239.5309 -203690.0736 2786.7335 0.0000 0.0000 52060.5681 -109576.8467 299.1928 -161637.4149 -109208.2614 299.4596 63.5420 95.4988 760768.2772 5.0158 4.8138 PRESSURE: 4970000 -419.501 41.0282 -30.8986 41.0289 -360.217 -35.4059 -30.8985 -35.4052 -456.792 GPRESSURE: 4970000 -423.246 -6.19461 -36.0594 -135.76 -217.7 -23.1516 53.601 35.9773 -503.356 PRESSAVG: 4970000 -1.90132 -59.5899 -38.4688 -59.59 -26.6033 42.374 -38.4688 42.374 -7.241 GPRESSAVG: 4970000 -1.93979 -60.7635 -38.4114 -60.5903 -26.6027 42.2981 -37.6896 43.6486 -7.60792 TIMING: 4970000 CPU: 16006.3, 0.00311664/step Wall: 16006.3, 0.00311664/step, 0.025972 hours remaining, 233.601562 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: 4970000 4007.3959 20516.7418 14500.5346 243.2989 -203602.6346 2460.5577 0.0000 0.0000 52286.1490 -109587.9568 300.4892 -161874.1058 -109224.2833 299.4329 -412.1701 -381.4341 762031.0688 -11.9152 -12.0501 PRESSURE: 4970200 -120.927 -62.8379 -176.769 -62.8386 30.5427 -44.6754 -176.77 -44.6748 -213.45 GPRESSURE: 4970200 -177.892 -9.11366 -126.518 30.7056 163.109 -134.251 -221.217 -128.348 -206.951 PRESSAVG: 4970200 -60.5638 -26.4855 -53.9566 -26.4855 26.1344 26.4391 -53.9565 26.439 2.51249 GPRESSAVG: 4970200 -59.8667 -24.4744 -54.894 -26.4303 25.9958 26.9056 -53.9195 25.1052 1.69527 TIMING: 4970200 CPU: 16006.9, 0.00312673/step Wall: 16006.9, 0.00312673/step, 0.0258824 hours remaining, 233.601562 MB of memory in use. ENERGY: 4970200 3999.9950 20683.0764 14548.9835 227.8278 -203695.4928 2688.7459 0.0000 0.0000 52002.5745 -109544.2896 298.8595 -161546.8642 -109177.1416 299.1995 -101.2779 -73.9111 760821.3489 -10.6390 -10.7252 PRESSURE: 4970400 -221.854 37.2497 5.90026 37.2488 105.037 118.656 5.90089 118.657 54.0004 GPRESSURE: 4970400 -167.55 116.67 37.4165 -68.0202 164.474 79.6738 155.363 41.4321 1.56047 PRESSAVG: 4970400 -24.0324 21.2938 25.3328 21.2938 3.30929 -9.18812 25.3328 -9.1881 -9.81649 GPRESSAVG: 4970400 -23.665 21.3627 25.9725 23.6247 3.00612 -8.63511 23.9207 -9.41898 -10.0767 TIMING: 4970400 CPU: 16007.6, 0.00312231/step Wall: 16007.6, 0.00312231/step, 0.0256723 hours remaining, 233.601562 MB of memory in use. ENERGY: 4970400 4037.7563 20628.9579 14526.9463 261.1851 -203110.2713 2407.5851 0.0000 0.0000 51787.1316 -109460.7090 297.6214 -161247.8406 -109097.6324 299.4968 -20.9389 -0.5050 760332.6213 -10.1799 -10.2452 PRESSURE: 4970600 -332.091 -29.4341 -87.3063 -29.4333 -180.136 335.309 -87.3063 335.309 -147.5 GPRESSURE: 4970600 -283.815 -94.1286 -94.955 -80.7859 -114.707 351.199 -110.841 286.649 -177.949 PRESSAVG: 4970600 39.5286 15.2246 4.75417 15.2246 -27.8351 17.0455 4.75422 17.0454 4.02092 GPRESSAVG: 4970600 38.0396 12.47 5.9833 15.5136 -26.5658 16.4996 5.29819 15.1171 4.08308 TIMING: 4970600 CPU: 16008.2, 0.00313198/step Wall: 16008.2, 0.00313198/step, 0.0255778 hours remaining, 233.601562 MB of memory in use. ENERGY: 4970600 3947.3037 20663.2991 14460.7921 237.1694 -203046.5233 2314.5924 0.0000 0.0000 52130.5833 -109292.7833 299.5952 -161423.3666 -108923.2780 299.6299 -219.9092 -192.1569 760528.9550 5.2381 5.1856 PRESSURE: 4970800 60.71 75.4652 53.429 75.4641 -100.718 35.0849 53.429 35.0842 -8.44264 GPRESSURE: 4970800 153.593 120.808 65.6186 113.968 -120.035 -11.7187 -106.927 39.1565 -4.73119 PRESSAVG: 4970800 6.19894 7.42864 -5.02737 7.42868 -10.97 19.8704 -5.02743 19.8704 -0.262497 GPRESSAVG: 4970800 7.14641 7.48801 -5.25159 6.88033 -12.0701 19.0108 -5.28361 20.8522 0.419447 TIMING: 4970800 CPU: 16008.8, 0.00313986/step Wall: 16008.8, 0.00313986/step, 0.0254677 hours remaining, 233.601562 MB of memory in use. ENERGY: 4970800 3997.9227 20683.2981 14467.7930 240.9579 -203287.3852 2397.4424 0.0000 0.0000 52098.9464 -109401.0247 299.4134 -161499.9711 -109038.0507 300.0743 -16.1502 9.6088 757867.4170 -1.6779 -1.5014 PRESSURE: 4971000 263.988 -104.341 -93.936 -104.341 -62.9895 -152.778 -93.9362 -152.779 114.728 GPRESSURE: 4971000 301.698 -87.2652 -47.2719 -37.5019 30.442 -99.4744 -105.397 -133.992 70.7915 PRESSAVG: 4971000 7.4431 -46.2145 -9.38977 -46.2145 -12.3767 6.00087 -9.38973 6.00084 21.9134 GPRESSAVG: 4971000 8.70035 -43.5866 -10.4469 -45.1596 -12.6856 5.4223 -7.40439 7.60693 21.285 TIMING: 4971000 CPU: 16009.4, 0.00314303/step Wall: 16009.4, 0.00314303/step, 0.0253188 hours remaining, 233.601562 MB of memory in use. ENERGY: 4971000 4057.2120 20674.7096 14496.9757 236.1117 -203508.3845 2599.6865 0.0000 0.0000 51992.5691 -109451.1199 298.8020 -161443.6890 -109082.4782 299.4756 105.2420 134.3105 759970.8405 5.6600 5.7666 PRESSURE: 4971200 -330.76 -122.035 104.411 -122.035 219.576 50.3854 104.41 50.385 206.449 GPRESSURE: 4971200 -265.053 -61.093 106.262 -107.88 184.474 -13.0027 30.0802 145.733 262.534 PRESSAVG: 4971200 -4.5781 -47.2423 -30.0721 -47.2424 27.3558 8.98452 -30.072 8.98459 -10.4327 GPRESSAVG: 4971200 -5.15555 -49.0673 -29.5134 -48.6347 27.1123 10.3502 -31.9144 8.60928 -9.84688 TIMING: 4971200 CPU: 16010.1, 0.00313964/step Wall: 16010.1, 0.00313964/step, 0.0251171 hours remaining, 233.601562 MB of memory in use. ENERGY: 4971200 3990.0367 20610.8048 14508.0567 273.6815 -203531.6868 2593.7479 0.0000 0.0000 52131.9017 -109423.4575 299.6028 -161555.3592 -109053.3845 299.5784 31.7553 60.6515 760670.1015 4.1150 4.0366 PRESSURE: 4971400 129.502 45.7804 14.1599 45.7805 39.444 330.494 14.1592 330.492 553.096 GPRESSURE: 4971400 150.147 40.0827 40.408 -29.9867 129.06 168.572 145.724 227.381 547.736 PRESSAVG: 4971400 1.16535 -2.14124 23.0786 -2.14118 -11.0685 20.2187 23.0786 20.2186 -2.92247 GPRESSAVG: 4971400 0.624947 -1.67167 23.2585 -3.23083 -10.0137 18.2059 22.6474 19.8207 -3.79056 TIMING: 4971400 CPU: 16010.7, 0.00312443/step Wall: 16010.7, 0.00312443/step, 0.0248218 hours remaining, 233.601562 MB of memory in use. ENERGY: 4971400 4041.4973 20434.9248 14516.9404 243.6183 -203466.4933 2823.0809 0.0000 0.0000 52160.6289 -109245.8026 299.7679 -161406.4315 -108878.4077 300.1074 240.6807 275.6479 758448.1594 -4.2752 -4.3931 PRESSURE: 4971600 138.036 -254.934 -139.449 -254.934 -195.103 -9.38687 -139.449 -9.38696 -46.1766 GPRESSURE: 4971600 147.462 -173.238 -125.934 -180.664 -115.702 54.824 -245.803 -14.7158 -35.1391 PRESSAVG: 4971600 4.47294 -58.005 -25.1283 -58.0051 6.32348 0.175842 -25.1283 0.17588 8.14561 GPRESSAVG: 4971600 3.98867 -59.1221 -26.5855 -55.6376 6.49256 3.6441 -23.5609 -1.82314 8.734 TIMING: 4971600 CPU: 16011.3, 0.00313495/step Wall: 16011.3, 0.00313495/step, 0.0247313 hours remaining, 233.601562 MB of memory in use. ENERGY: 4971600 4045.0578 20574.0574 14532.0071 259.7090 -202981.5174 2461.3333 0.0000 0.0000 52100.4050 -109008.9477 299.4217 -161109.3527 -108639.0887 300.4036 -34.4146 -1.1265 760291.5581 6.3140 6.4051 PRESSURE: 4971800 -508.186 -202.773 -248.399 -202.773 -323.826 90.7707 -248.398 90.7702 -590.957 GPRESSURE: 4971800 -491.369 -142.162 -167.5 -244.548 -337.481 168.043 -286.821 135.467 -528.128 PRESSAVG: 4971800 -4.96663 -33.0219 -34.9957 -33.0219 12.6928 34.7437 -34.9956 34.7437 6.27719 GPRESSAVG: 4971800 -3.14979 -33.3117 -32.9345 -32.8114 10.7998 33.5231 -37.5386 35.0483 6.42678 TIMING: 4971800 CPU: 16012, 0.00313798/step Wall: 16012, 0.00313798/step, 0.0245808 hours remaining, 233.601562 MB of memory in use. ENERGY: 4971800 3998.6565 20855.8777 14522.4402 233.2299 -202857.7024 2066.8937 0.0000 0.0000 52128.7323 -109051.8721 299.5845 -161180.6045 -108686.7173 300.5858 -474.3233 -452.3261 760353.9693 4.6678 4.6922 PRESSURE: 4972000 168.866 70.8202 -102.577 70.8198 48.044 167.018 -102.577 167.018 288.547 GPRESSURE: 4972000 162.48 10.5107 -68.6506 59.679 135.473 200.341 -47.505 80.0527 309.568 PRESSAVG: 4972000 37.2111 -58.3726 -40.6954 -58.3725 3.318 -29.4119 -40.6954 -29.4118 9.25579 GPRESSAVG: 4972000 36.3187 -56.3529 -39.7343 -58.1907 5.41678 -28.3038 -39.4285 -28.4053 8.55164 TIMING: 4972000 CPU: 16012.6, 0.00315188/step Wall: 16012.6, 0.00315188/step, 0.0245146 hours remaining, 233.601562 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: 4972000 3985.6083 20621.1217 14520.3797 239.9191 -203174.5892 2418.8418 0.0000 0.0000 52292.7953 -109095.9233 300.5274 -161388.7186 -108739.9313 300.6235 168.4857 202.5069 760601.3609 16.5950 16.7624 PRESSURE: 4972200 -70.3548 37.8938 -161.966 37.8947 -111.828 28.1931 -161.966 28.1931 -371.907 GPRESSURE: 4972200 56.9067 1.0733 -173.665 -38.8508 -137.245 99.9707 -78.7183 -59.2676 -395.485 PRESSAVG: 4972200 -21.1714 13.4447 -29.8799 13.4447 -23.6445 -0.56449 -29.8799 -0.564474 -22.5901 GPRESSAVG: 4972200 -20.0216 12.6034 -30.854 9.83191 -24.724 -2.06686 -28.9001 2.37782 -22.4038 TIMING: 4972200 CPU: 16013.2, 0.0031407/step Wall: 16013.2, 0.0031407/step, 0.0242532 hours remaining, 233.601562 MB of memory in use. ENERGY: 4972200 3983.7841 20499.2070 14469.2304 251.7449 -203187.6885 2512.3291 0.0000 0.0000 52260.6101 -109210.7830 300.3424 -161471.3930 -108841.5115 300.0944 -184.6964 -158.6078 762334.5567 -22.4687 -22.3832 LDB: ============= START OF LOAD BALANCING ============== 16025.6 LDB: ============== END OF LOAD BALANCING =============== 16025.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16025.6 LDB: ============= START OF LOAD BALANCING ============== 16026 LDB: Largest compute 7075 load 0.038791 is 19.8% of average load 0.195493 LDB: Average compute 0.004413 is 2.3% of average load 0.195493 LDB: TIME 16026 LOAD: AVG 0.195493 MAX 0.217272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 16026 LOAD: AVG 0.195493 MAX 0.217272 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.207 MB LDB: TIME 16026 LOAD: AVG 0.195493 MAX 0.217272 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.207 MB LDB: ============== END OF LOAD BALANCING =============== 16026 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16026 PRESSURE: 4972400 108.949 103.983 -15.5457 103.984 -78.8798 75.5228 -15.5458 75.5227 73.4763 GPRESSURE: 4972400 82.7841 45.8307 -65.1303 37.6865 -69.1804 62.8952 77.8739 95.0491 166.081 PRESSAVG: 4972400 -20.5904 -18.7952 26.1446 -18.7953 -9.04793 4.57122 26.1447 4.57119 5.87825 GPRESSAVG: 4972400 -20.7995 -19.3524 25.3262 -17.1702 -9.815 4.0455 26.7853 2.72715 6.53157 TIMING: 4972400 CPU: 16013.9, 0.00323309/step Wall: 16013.9, 0.00323308/step, 0.024787 hours remaining, 234.679688 MB of memory in use. ENERGY: 4972400 3901.1175 20623.2348 14469.9031 253.3429 -203030.8018 2477.7700 0.0000 0.0000 52135.2121 -109170.2214 299.6218 -161305.4335 -108810.8842 299.9768 34.5152 59.8948 761691.6477 -7.9200 -8.0276 PRESSURE: 4972600 -528.584 -128.947 243.923 -128.947 -116.864 -141.055 243.923 -141.054 -530.157 GPRESSURE: 4972600 -388.467 -102.325 157.56 -180.358 -131.505 -196.32 327.217 -122.391 -555.636 PRESSAVG: 4972600 32.2352 9.16989 25.2791 9.16982 -28.5943 5.6095 25.279 5.60955 24.4639 GPRESSAVG: 4972600 31.2832 9.24282 24.8499 9.60474 -27.1031 6.04711 23.9445 5.27961 24.2208 TIMING: 4972600 CPU: 16014.5, 0.00312739/step Wall: 16014.5, 0.0031274/step, 0.023803 hours remaining, 234.882812 MB of memory in use. ENERGY: 4972600 4064.1384 20713.2951 14503.9543 254.9020 -203259.3556 2497.5878 0.0000 0.0000 52060.1399 -109165.3382 299.1903 -161225.4781 -108808.4289 299.8075 -391.8684 -358.5363 761581.8421 9.3683 9.4670 PRESSURE: 4972800 26.1431 37.4003 67.4291 37.4009 -239.034 81.9675 67.4287 81.9671 -153.166 GPRESSURE: 4972800 90.8385 -9.05903 -103.872 -34.6315 -183.439 23.9856 141.002 162.24 -179.04 PRESSAVG: 4972800 -62.5057 21.1183 -19.128 21.1183 73.7039 -12.2137 -19.128 -12.2138 5.51812 GPRESSAVG: 4972800 -63.664 21.3962 -18.5612 20.222 73.3435 -11.6281 -19.5932 -11.7077 7.10991 TIMING: 4972800 CPU: 16015.1, 0.00311741/step Wall: 16015.1, 0.00311741/step, 0.0235538 hours remaining, 234.882812 MB of memory in use. ENERGY: 4972800 4031.3055 20669.8818 14573.9670 253.3043 -203292.0026 2430.8122 0.0000 0.0000 52208.0951 -109124.6367 300.0406 -161332.7318 -108757.3452 300.3307 -122.0191 -90.5468 760326.7831 5.5721 5.5965 PRESSURE: 4973000 -204.363 222.683 159.685 222.683 410.592 -49.6624 159.685 -49.6625 208.089 GPRESSURE: 4973000 -66.0316 200.384 139.352 207.373 444.627 -101.627 151.651 -34.4439 125.208 PRESSAVG: 4973000 20.1727 -0.613075 17.1656 -0.6131 -23.292 -3.23263 17.1656 -3.23258 9.33982 GPRESSAVG: 4973000 22.2564 -0.5412 18.1328 -0.00893493 -23.6296 -3.47593 17.4483 -3.39906 7.74972 TIMING: 4973000 CPU: 16015.7, 0.00312452/step Wall: 16015.7, 0.00312452/step, 0.0234339 hours remaining, 234.882812 MB of memory in use. ENERGY: 4973000 3974.7791 20464.8012 14557.1221 262.2272 -202974.4559 2562.2686 0.0000 0.0000 52308.0354 -108845.2222 300.6150 -161153.2576 -108487.6701 300.2014 138.1062 167.9343 761861.0949 2.0735 2.1255 PRESSURE: 4973200 -275.724 146.74 56.6664 146.739 -32.1207 39.5967 56.6669 39.5967 346.314 GPRESSURE: 4973200 -260.704 200.523 27.8172 167.674 32.8853 51.0688 18.67 9.55671 350.418 PRESSAVG: 4973200 1.45424 47.1311 6.18696 47.1311 17.7961 -42.8736 6.187 -42.8736 -2.95272 GPRESSAVG: 4973200 1.30467 47.5016 5.03213 48.511 18.7079 -42.8613 5.94076 -42.88 -3.63384 TIMING: 4973200 CPU: 16016.4, 0.00312466/step Wall: 16016.4, 0.00312466/step, 0.0232613 hours remaining, 234.882812 MB of memory in use. ENERGY: 4973200 4035.7108 20631.0983 14414.0853 237.1413 -203050.5691 2629.9108 0.0000 0.0000 52122.8480 -108979.7745 299.5507 -161102.6226 -108622.8682 299.7393 12.8230 40.8665 763223.4706 5.4325 5.4596 PRESSURE: 4973400 -77.7528 -242.087 -7.41231 -242.087 29.4735 15.8188 -7.41346 15.8182 47.0992 GPRESSURE: 4973400 33.4271 -273.884 29.1938 -215.871 -4.66112 60.3131 -110.61 -16.8161 55.8111 PRESSAVG: 4973400 -12.4404 -37.3743 1.83718 -37.3744 -2.41339 -54.0378 1.8372 -54.0378 -8.81378 GPRESSAVG: 4973400 -13.6811 -36.2539 3.41743 -38.1115 -3.18887 -52.6061 2.31622 -55.446 -6.78113 TIMING: 4973400 CPU: 16017, 0.0031384/step Wall: 16017, 0.0031384/step, 0.0231893 hours remaining, 234.882812 MB of memory in use. ENERGY: 4973400 4011.4638 20682.8421 14404.3221 243.7382 -203137.1368 2684.6118 0.0000 0.0000 52075.8814 -109034.2773 299.2808 -161110.1588 -108679.9765 299.7064 -0.3934 28.1924 762656.4818 -7.8892 -7.8837 PRESSURE: 4973600 -91.906 104.13 -9.75534 104.13 -69.4651 -180.451 -9.75585 -180.453 -412.188 GPRESSURE: 4973600 -123.154 16.7041 -26.9794 126.958 -26.8714 -234.788 -24.3702 -166.206 -339.936 PRESSAVG: 4973600 -1.76974 -55.4132 47.7218 -55.4133 -5.91919 7.34302 47.7219 7.34294 -24.1412 GPRESSAVG: 4973600 -1.34576 -57.2715 46.4126 -54.3076 -5.76969 6.60166 47.8605 8.61405 -25.1546 TIMING: 4973600 CPU: 16017.6, 0.00313184/step Wall: 16017.6, 0.00313184/step, 0.0229669 hours remaining, 234.882812 MB of memory in use. ENERGY: 4973600 4003.3092 20555.2304 14474.9355 227.5155 -202846.2029 2266.1056 0.0000 0.0000 52194.5730 -109124.5338 299.9629 -161319.1067 -108761.7227 299.8437 -191.1864 -163.3204 762461.7584 -10.6100 -10.7567 PRESSURE: 4973800 -253.552 8.85578 30.2546 8.85597 -381.141 119.993 30.2547 119.992 -233.996 GPRESSURE: 4973800 -233.099 33.3492 -11.2201 -27.5917 -306.366 30.2958 158.998 138.709 -242.089 PRESSAVG: 4973800 32.9162 -71.5443 60.6058 -71.5444 -7.1619 29.1781 60.6058 29.1781 14.5197 GPRESSAVG: 4973800 33.4144 -69.846 61.5345 -73.1738 -7.24666 29.6661 59.5673 28.9701 14.044 TIMING: 4973800 CPU: 16018.2, 0.00311978/step Wall: 16018.2, 0.00311978/step, 0.0227051 hours remaining, 234.882812 MB of memory in use. ENERGY: 4973800 4007.0316 20674.6201 14461.7200 238.2161 -202692.2539 2155.0860 0.0000 0.0000 51627.6902 -109527.8900 296.7050 -161155.5801 -109169.3403 299.6768 -289.5632 -260.5179 761950.4051 13.4247 13.4039 PRESSURE: 4974000 -127.96 100.428 -41.4873 100.428 195.259 -29.5821 -41.4879 -29.5828 213.792 GPRESSURE: 4974000 -91.9678 45.9361 -15.372 48.6796 236.598 15.0993 -122.539 -130.251 230.309 PRESSAVG: 4974000 -22.5115 3.4265 9.88065 3.42652 9.32979 -47.7827 9.88062 -47.7826 21.1126 GPRESSAVG: 4974000 -23.8803 2.98528 9.82102 3.3449 9.90106 -48.0714 12.1829 -48.5008 21.7129 TIMING: 4974000 CPU: 16018.9, 0.003128/step Wall: 16018.9, 0.003128/step, 0.0225911 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4974000 3935.3563 20455.6200 14367.8055 222.1218 -203365.6607 2589.8881 0.0000 0.0000 52149.1102 -109645.7588 299.7017 -161794.8690 -109285.3313 298.7650 93.6970 124.9797 761860.6809 2.6436 2.5779 PRESSURE: 4974200 -247.439 -120.666 -56.3199 -120.665 83.3119 155.186 -56.3203 155.186 71.9773 GPRESSURE: 4974200 -129.102 -113.41 -27.9459 -140.653 75.1611 57.6693 -81.8485 202.376 44.7738 PRESSAVG: 4974200 -22.9825 -69.0791 -5.86046 -69.0792 52.2894 -24.5002 -5.86049 -24.5002 -25.206 GPRESSAVG: 4974200 -21.5818 -69.0832 -7.23254 -67.4327 50.837 -24.1238 -7.3199 -25.3516 -24.6591 TIMING: 4974200 CPU: 16019.5, 0.0031283/step Wall: 16019.5, 0.0031283/step, 0.0224195 hours remaining, 234.882812 MB of memory in use. ENERGY: 4974200 3972.9394 20439.2898 14425.8833 233.7299 -203203.2284 2491.9381 0.0000 0.0000 52094.8210 -109544.6269 299.3897 -161639.4479 -109177.1980 298.7932 -30.7166 -3.0557 760492.0619 1.3670 1.5320 PRESSURE: 4974400 57.143 -63.0891 224.853 -63.089 -24.0411 -244.892 224.854 -244.893 176.811 GPRESSURE: 4974400 5.31906 -64.5838 281.585 -80.7245 68.7031 -254.289 249.177 -287.723 187.271 PRESSAVG: 4974400 7.8075 -36.9243 -23.4179 -36.9243 15.503 -18.6318 -23.4179 -18.6317 2.93756 GPRESSAVG: 4974400 7.61608 -37.3912 -23.0014 -36.7925 15.9999 -19.1222 -23.6381 -18.2535 2.49687 TIMING: 4974400 CPU: 16020.1, 0.00314025/step Wall: 16020.1, 0.00314025/step, 0.0223306 hours remaining, 234.882812 MB of memory in use. ENERGY: 4974400 3982.7969 20469.5866 14415.1321 230.0977 -203368.4269 2574.8256 0.0000 0.0000 51844.0517 -109851.9363 297.9485 -161695.9880 -109487.1991 298.3508 69.9709 87.0977 760042.5153 8.7494 8.7043 PRESSURE: 4974600 -178.403 -73.64 132.487 -73.6396 -1.83215 108.453 132.487 108.453 -378.958 GPRESSURE: 4974600 -116.498 -33.3987 67.7565 -84.9047 -8.22293 76.3541 -94.5825 99.9592 -349.689 PRESSAVG: 4974600 -71.4037 4.685 62.7891 4.68495 35.2377 31.0613 62.7889 31.0612 -6.33953 GPRESSAVG: 4974600 -71.6974 5.53891 62.4313 4.59526 35.4221 31.7567 62.8028 30.9349 -5.82883 TIMING: 4974600 CPU: 16020.7, 0.00314673/step Wall: 16020.7, 0.00314673/step, 0.0222019 hours remaining, 234.882812 MB of memory in use. ENERGY: 4974600 3940.5453 20438.1818 14475.1982 232.2392 -203232.5791 2421.7827 0.0000 0.0000 52016.4833 -109708.1486 298.9394 -161724.6319 -109336.6917 298.4178 -186.3978 -158.1369 760160.6082 -14.1685 -14.0347 PRESSURE: 4974800 -57.3387 -165.198 -61.6936 -165.197 -17.0125 -176.569 -61.693 -176.569 -79.3733 GPRESSURE: 4974800 -96.3206 -118.781 -55.4838 -148.42 70.6983 -82.5634 -103.337 -286.771 -57.5487 PRESSAVG: 4974800 20.0548 -26.451 -20.7039 -26.451 -3.7049 12.1955 -20.704 12.1955 -14.9642 GPRESSAVG: 4974800 20.257 -26.9596 -21.5053 -27.2046 -3.5344 10.99 -21.1595 12.8526 -15.169 TIMING: 4974800 CPU: 16021.4, 0.0031367/step Wall: 16021.4, 0.0031367/step, 0.0219569 hours remaining, 234.882812 MB of memory in use. ENERGY: 4974800 4054.1826 20565.9377 14477.5952 254.2458 -203551.8412 2696.4610 0.0000 0.0000 51841.2776 -109662.1412 297.9325 -161503.4188 -109312.1803 298.9690 -51.2415 -27.7237 758773.9519 0.4619 0.5179 PRESSURE: 4975000 232.409 -114.997 30.154 -114.998 -44.0103 129.675 30.1542 129.676 -9.23428 GPRESSURE: 4975000 224.494 12.6132 -89.3345 -48.9146 84.7695 82.3912 50.0516 44.8297 -32.1511 PRESSAVG: 4975000 -4.36272 -5.75954 22.2533 -5.75952 3.28914 17.9807 22.2533 17.9807 24.5043 GPRESSAVG: 4975000 -3.96774 -4.63941 23.5783 -5.22764 3.52816 17.9426 22.441 19.2233 23.8193 TIMING: 4975000 CPU: 16022, 0.00315796/step Wall: 16022, 0.00315796/step, 0.0219303 hours remaining, 234.882812 MB of memory in use. ENERGY: 4975000 3939.1068 20430.7472 14566.5468 230.5410 -202984.1853 2373.3617 0.0000 0.0000 51976.9750 -109466.9069 298.7124 -161443.8819 -109120.2372 298.7875 59.7214 92.3707 760915.4883 7.8102 7.7933 PRESSURE: 4975200 -347.238 100.081 42.7833 100.081 -633.502 -245.119 42.7841 -245.121 145.775 GPRESSURE: 4975200 -341.998 0.19878 -21.1324 115.967 -560.2 -276.773 171.111 -263.865 159.423 PRESSAVG: 4975200 -30.3767 -56.4166 11.7971 -56.4166 15.6152 2.13918 11.7971 2.13919 6.53294 GPRESSAVG: 4975200 -30.1464 -58.3423 11.6474 -55.153 16.4922 1.02144 11.2645 3.01302 6.09033 TIMING: 4975200 CPU: 16022.6, 0.00313101/step Wall: 16022.6, 0.00313101/step, 0.0215692 hours remaining, 234.882812 MB of memory in use. ENERGY: 4975200 4043.7494 20530.4632 14546.3008 249.4940 -203579.8887 2791.5231 0.0000 0.0000 51996.0159 -109422.3423 298.8218 -161418.3582 -109070.3160 299.0504 -278.3218 -247.5912 760413.4202 -2.7428 -2.5213 PRESSURE: 4975400 156.653 -81.2331 30.1488 -81.2335 -111.317 -116.596 30.1492 -116.597 -212.059 GPRESSURE: 4975400 210.888 -145.714 15.7595 -13.5219 -118.377 -127.289 7.96942 -63.4209 -172.772 PRESSAVG: 4975400 10.5165 -38.1515 -34.7127 -38.1515 -12.8485 24.6133 -34.7126 24.6133 -9.50131 GPRESSAVG: 4975400 9.88956 -37.4964 -35.7428 -39.5251 -13.3092 26.0085 -34.4162 22.0675 -8.91067 TIMING: 4975400 CPU: 16023.3, 0.00312691/step Wall: 16023.3, 0.00312691/step, 0.0213672 hours remaining, 234.882812 MB of memory in use. ENERGY: 4975400 4066.6706 20313.6475 14483.2928 263.8003 -203292.0798 2669.5051 0.0000 0.0000 52001.0739 -109494.0898 298.8509 -161495.1636 -109126.1950 298.8185 -55.5744 -26.7535 761143.8970 -3.9444 -4.1101 PRESSURE: 4975600 -22.7293 29.3286 -227.737 29.3283 464.779 -212.72 -227.737 -212.72 404.749 GPRESSURE: 4975600 -21.2133 11.1691 -228.282 -63.0027 567.679 -114.628 -293.725 -300.902 383.047 PRESSAVG: 4975600 -35.751 -22.951 6.56744 -22.9511 28.8881 -2.66906 6.56748 -2.66909 11.0585 GPRESSAVG: 4975600 -35.2347 -22.2102 7.11132 -22.6397 28.4395 -1.86418 7.36023 -2.48054 11.6024 TIMING: 4975600 CPU: 16023.9, 0.00313077/step Wall: 16023.9, 0.00313077/step, 0.0212197 hours remaining, 234.882812 MB of memory in use. ENERGY: 4975600 3996.6263 20556.3456 14544.2642 241.8338 -203352.9879 2535.2410 0.0000 0.0000 52000.9071 -109477.7700 298.8499 -161478.6771 -109124.2182 299.2745 282.2663 309.8377 761021.0426 1.3985 1.6024 PRESSURE: 4975800 4.4043 -106.704 -206.827 -106.704 -57.6306 50.5367 -206.828 50.537 -387.807 GPRESSURE: 4975800 91.2071 -64.8251 -217.477 -119.603 -76.7369 -68.3572 -85.7908 85.4251 -362.435 PRESSAVG: 4975800 11.6833 11.7275 -15.693 11.7274 -13.5264 -4.60864 -15.693 -4.60859 22.4541 GPRESSAVG: 4975800 12.9144 12.1696 -14.6265 12.5406 -14.1879 -6.27523 -16.8044 -2.7397 22.1965 TIMING: 4975800 CPU: 16024.5, 0.00312563/step Wall: 16024.5, 0.00312563/step, 0.0210112 hours remaining, 234.882812 MB of memory in use. ENERGY: 4975800 4006.1119 20582.9800 14493.2156 240.7562 -203416.1954 2587.6348 0.0000 0.0000 52055.4457 -109450.0512 299.1634 -161505.4969 -109092.4872 299.5354 -147.0110 -115.9882 760465.5693 6.8704 6.9743 PRESSURE: 4976000 85.7314 -144.645 -99.4594 -144.645 387.183 -49.3351 -99.4597 -49.3344 26.1578 GPRESSURE: 4976000 78.0146 -164.217 2.17114 -208.707 386.71 -75.0226 -103.785 -20.2988 136.91 PRESSAVG: 4976000 16.1575 5.39875 -62.2366 5.39871 -24.0099 12.1348 -62.2366 12.1347 -21.5846 GPRESSAVG: 4976000 14.2154 4.13347 -62.0089 5.60231 -22.6973 13.5854 -62.8634 11.4056 -21.163 TIMING: 4976000 CPU: 16025.1, 0.00312248/step Wall: 16025.1, 0.00312248/step, 0.0208165 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4976000 4024.5959 20591.3735 14511.0913 252.9646 -203333.5879 2614.8916 0.0000 0.0000 52070.5054 -109268.1657 299.2499 -161338.6711 -108910.2535 299.5958 166.3575 200.5450 760996.5576 -9.8123 -9.8816 PRESSURE: 4976200 -140.021 109.034 -102.537 109.035 -110.563 126.602 -102.537 126.602 -514.321 GPRESSURE: 4976200 -142.259 115.778 -124.863 33.1207 -75.73 93.8049 6.4377 21.4937 -448.129 PRESSAVG: 4976200 -20.3457 5.85961 -75.2731 5.85953 -21.9006 24.8838 -75.2731 24.8838 11.3836 GPRESSAVG: 4976200 -19.606 8.00223 -74.0077 3.01768 -22.2696 23.4391 -76.0552 24.0105 11.2077 TIMING: 4976200 CPU: 16025.8, 0.00313006/step Wall: 16025.8, 0.00313006/step, 0.0206932 hours remaining, 234.882812 MB of memory in use. ENERGY: 4976200 4014.9600 20587.6070 14502.9712 236.5923 -202878.9081 2131.8051 0.0000 0.0000 52000.7333 -109404.2391 298.8489 -161404.9725 -109043.3706 299.3176 -254.9684 -222.0396 762640.4720 -10.2875 -10.2226 LDB: ============= START OF LOAD BALANCING ============== 16038.2 LDB: ============== END OF LOAD BALANCING =============== 16038.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16038.2 LDB: ============= START OF LOAD BALANCING ============== 16038.5 LDB: Largest compute 7075 load 0.037139 is 19.0% of average load 0.195736 LDB: Average compute 0.004404 is 2.3% of average load 0.195736 LDB: TIME 16038.5 LOAD: AVG 0.195736 MAX 0.215965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.363 MB LDB: TIME 16038.5 LOAD: AVG 0.195736 MAX 0.215965 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: TIME 16038.5 LOAD: AVG 0.195736 MAX 0.215965 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: ============== END OF LOAD BALANCING =============== 16038.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16038.5 PRESSURE: 4976400 -493.525 -66.7787 -29.3723 -66.7786 298.085 10.7708 -29.3709 10.7717 194.214 GPRESSURE: 4976400 -440.038 -8.51722 -51.3422 46.7117 356.963 34.9892 -86.1646 61.9572 157.188 PRESSAVG: 4976400 -31.6713 -36.4893 -8.17729 -36.4893 32.3467 -42.2808 -8.17735 -42.2808 -6.58083 GPRESSAVG: 4976400 -31.9594 -36.3952 -9.56712 -35.4948 31.7357 -41.1513 -7.35874 -41.6975 -6.26564 TIMING: 4976400 CPU: 16026.4, 0.00319282/step Wall: 16026.4, 0.00319282/step, 0.0209307 hours remaining, 235.765625 MB of memory in use. ENERGY: 4976400 3967.1543 20495.2021 14561.0019 247.9315 -203000.5813 2504.3709 0.0000 0.0000 51820.7050 -109404.2155 297.8143 -161224.9206 -109034.2752 299.0694 -0.4085 24.7044 760461.6417 -1.9685 -2.1631 PRESSURE: 4976600 -151.95 -84.5501 -218.128 -84.5498 76.1068 66.3464 -218.128 66.347 284.118 GPRESSURE: 4976600 -139.107 0.0864877 -212.179 -110.574 178.516 42.7583 -170.476 27.0936 264.146 PRESSAVG: 4976600 7.30386 -1.36466 0.631117 -1.36464 26.2604 -2.87322 0.631102 -2.87323 -7.94468 GPRESSAVG: 4976600 7.32078 -1.31997 0.223448 -0.502815 26.9782 -3.10557 1.0043 -4.77717 -8.67704 TIMING: 4976600 CPU: 16027, 0.00315274/step Wall: 16027, 0.00315274/step, 0.0204928 hours remaining, 235.765625 MB of memory in use. ENERGY: 4976600 4036.3596 20755.7512 14543.2158 249.9105 -203192.6505 2592.5220 0.0000 0.0000 51983.5935 -109031.2979 298.7504 -161014.8914 -108666.8919 300.4347 69.4251 101.1849 760165.4869 8.5398 8.5406 PRESSURE: 4976800 188.231 40.2668 245.601 40.2669 302.973 -43.0947 245.602 -43.0955 -408.952 GPRESSURE: 4976800 153.21 70.999 228.109 -63.3392 387.267 -56.1279 163.542 42.8576 -351.267 PRESSAVG: 4976800 37.4987 2.83096 40.7751 2.83096 17.5339 -22.5349 40.7751 -22.535 -2.41455 GPRESSAVG: 4976800 37.7927 -0.399645 40.7495 2.92603 16.748 -22.8586 41.2614 -20.0633 -1.1569 TIMING: 4976800 CPU: 16027.7, 0.00316873/step Wall: 16027.7, 0.00316873/step, 0.0204207 hours remaining, 235.976562 MB of memory in use. ENERGY: 4976800 4084.0533 20690.1200 14497.3021 239.8503 -203315.5425 2607.8140 0.0000 0.0000 52226.0208 -108970.3820 300.1437 -161196.4028 -108609.3210 299.7930 27.4175 63.0702 760566.9391 17.5393 17.7946 PRESSURE: 4977000 70.5125 -100.057 -247.485 -100.058 -235.704 -32.1772 -247.485 -32.178 -113.588 GPRESSURE: 4977000 50.8643 -58.9975 -245.258 -11.0372 -67.9725 -74.6468 -89.9536 -79.3664 -163.94 PRESSAVG: 4977000 -10.2571 2.96822 3.54696 2.96817 41.623 -18.6787 3.54698 -18.6786 -4.30853 GPRESSAVG: 4977000 -10.1318 4.83876 3.24397 2.72553 42.6776 -18.6633 3.42036 -18.7724 -5.61029 TIMING: 4977000 CPU: 16028.3, 0.00313646/step Wall: 16028.3, 0.00313646/step, 0.0200385 hours remaining, 235.976562 MB of memory in use. ENERGY: 4977000 4009.6575 20617.1929 14501.6339 251.1275 -203103.9525 2383.0990 0.0000 0.0000 52264.4245 -109076.8174 300.3644 -161341.2419 -108712.5572 300.3810 -92.9266 -60.3495 759371.2416 9.0191 8.9785 PRESSURE: 4977200 -303.573 128.61 -31.896 128.61 -35.7434 90.6943 -31.8962 90.6936 -61.962 GPRESSURE: 4977200 -218.882 133.771 -14.162 12.2013 -76.9033 1.9108 -32.9972 91.3898 -44.4916 PRESSAVG: 4977200 1.58631 -13.2503 -8.80326 -13.2503 29.5482 -42.0643 -8.80327 -42.0644 -6.44495 GPRESSAVG: 4977200 1.33173 -12.2139 -7.51413 -14.1657 28.6073 -41.8502 -7.92864 -43.3547 -5.18016 TIMING: 4977200 CPU: 16028.9, 0.00311509/step Wall: 16028.9, 0.00311509/step, 0.0197289 hours remaining, 235.976562 MB of memory in use. ENERGY: 4977200 4009.5011 20686.4087 14444.1320 266.8019 -202997.7386 2164.0831 0.0000 0.0000 52392.4262 -109034.3856 301.1000 -161426.8118 -108671.4389 300.6061 -133.7596 -113.4255 761639.2318 8.2299 8.2529 PRESSURE: 4977400 295.34 244.014 375.975 244.015 -81.5268 76.2268 375.976 76.2258 64.5855 GPRESSURE: 4977400 328.298 202.074 394.283 253.16 -13.8593 74.0631 323.241 27.783 45.0192 PRESSAVG: 4977400 -15.1456 14.5209 5.09299 14.5209 7.79889 -33.9006 5.09303 -33.9006 5.37584 GPRESSAVG: 4977400 -13.4819 13.1177 4.64187 14.8984 6.71633 -31.1271 4.96657 -34.1385 4.05365 TIMING: 4977400 CPU: 16029.5, 0.00314729/step Wall: 16029.5, 0.00314729/step, 0.019758 hours remaining, 235.976562 MB of memory in use. ENERGY: 4977400 4009.9145 20600.8526 14469.4828 250.1604 -202841.0010 2403.3751 0.0000 0.0000 52185.0063 -108922.2092 299.9079 -161107.2156 -108560.3582 300.2207 92.7995 119.8191 760905.5203 -0.6570 -0.9040 PRESSURE: 4977600 52.088 -266.611 36.7861 -266.611 -62.144 87.9014 36.7865 87.9016 -133.031 GPRESSURE: 4977600 119.708 -150.314 -21.795 -330.921 -49.4955 129.284 -5.7677 105.286 -121.343 PRESSAVG: 4977600 -6.15695 44.5424 50.2146 44.5425 -29.302 -0.0423102 50.2146 -0.0422962 9.64245 GPRESSAVG: 4977600 -8.62564 46.2066 47.5201 43.9702 -27.2346 -1.99656 51.23 1.96582 10.6837 TIMING: 4977600 CPU: 16030.2, 0.00314922/step Wall: 16030.2, 0.00314922/step, 0.0195951 hours remaining, 235.976562 MB of memory in use. ENERGY: 4977600 3927.5408 20678.0146 14436.9697 248.3301 -203494.8403 2630.5865 0.0000 0.0000 52366.8602 -109206.5384 300.9531 -161573.3986 -108834.6439 300.2004 -47.6958 -17.0434 760497.0779 -8.6055 -8.3922 PRESSURE: 4977800 -354.803 -78.3426 203.503 -78.3425 -422.315 235.4 203.503 235.399 -232.817 GPRESSURE: 4977800 -280.516 24.9904 205.6 -69.7868 -523.996 221.315 133.272 273.09 -122.204 PRESSAVG: 4977800 6.63263 -2.62088 6.5658 -2.62089 -7.98117 -11.722 6.56574 -11.7219 12.4997 GPRESSAVG: 4977800 8.84779 -3.94453 11.3143 -2.05233 -9.36029 -12.3824 3.98971 -11.6557 11.9642 TIMING: 4977800 CPU: 16030.8, 0.00315796/step Wall: 16030.8, 0.00315796/step, 0.0194741 hours remaining, 235.976562 MB of memory in use. ENERGY: 4977800 3996.7664 20665.9451 14534.2871 241.9874 -203049.1389 2217.5066 0.0000 0.0000 52098.4067 -109294.2397 299.4103 -161392.6464 -108928.9644 299.6447 -336.6448 -308.9051 762204.9542 3.7171 3.8172 PRESSURE: 4978000 -35.8964 -253.924 -129.515 -253.924 -66.4127 -96.4839 -129.515 -96.4858 -466.494 GPRESSURE: 4978000 -8.78822 -247.493 -78.6479 -194.385 -11.2493 -20.5632 -165.98 -174.41 -454.157 PRESSAVG: 4978000 2.88279 -73.9927 -9.65857 -73.9927 16.4689 -27.6389 -9.65861 -27.6389 -19.6323 GPRESSAVG: 4978000 2.49733 -73.2994 -10.8795 -74.6559 15.8489 -27.721 -7.22854 -29.6151 -18.3876 TIMING: 4978000 CPU: 16031.4, 0.0031292/step Wall: 16031.4, 0.0031292/step, 0.0191229 hours remaining, 235.976562 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: 4978000 4073.5396 20416.9063 14486.3510 242.0112 -203400.2906 2451.4115 0.0000 0.0000 52454.1252 -109275.9459 301.4546 -161730.0711 -108905.3359 299.6995 -189.6011 -158.0650 760537.4266 -0.0936 -0.0138 PRESSURE: 4978200 -22.5031 168.384 78.6802 168.384 -245.783 36.3368 78.6806 36.3367 -339.852 GPRESSURE: 4978200 -3.27361 104.046 46.5882 94.2003 -219.048 83.7997 48.8074 83.2137 -303.71 PRESSAVG: 4978200 28.7921 -22.8236 8.86148 -22.8236 -25.6084 7.69567 8.86152 7.69558 11.6839 GPRESSAVG: 4978200 28.2145 -22.3073 7.65636 -22.9031 -24.7344 8.50733 7.63406 8.667 11.2436 TIMING: 4978200 CPU: 16032.1, 0.0031503/step Wall: 16032.1, 0.0031503/step, 0.0190768 hours remaining, 235.976562 MB of memory in use. ENERGY: 4978200 4022.8567 20544.1788 14512.1858 260.6010 -203354.4873 2599.2589 0.0000 0.0000 52193.7431 -109221.6629 299.9582 -161415.4061 -108856.0447 299.6622 -202.7126 -175.3437 761835.0505 4.9559 4.9079 PRESSURE: 4978400 135.206 -213.979 -169.349 -213.979 348.531 -72.1692 -169.349 -72.1695 -106.695 GPRESSURE: 4978400 117.205 -249.059 -110.177 -134.433 387.091 -31.247 -164.975 -130.328 -44.847 PRESSAVG: 4978400 -25.6924 13.5327 50.9778 13.5327 15.9135 0.00924759 50.9778 0.0092388 6.06248 GPRESSAVG: 4978400 -25.769 11.7555 51.9192 15.1556 16.2829 -0.460101 51.0396 -0.05408 5.82601 TIMING: 4978400 CPU: 16032.7, 0.00314775/step Wall: 16032.7, 0.00314775/step, 0.0188865 hours remaining, 235.976562 MB of memory in use. ENERGY: 4978400 4005.0754 20446.9560 14514.7610 259.8973 -204164.9090 3069.1774 0.0000 0.0000 52462.3841 -109406.6579 301.5020 -161869.0420 -109033.8938 300.1045 125.6807 153.1494 759839.8255 -1.2388 -1.2200 PRESSURE: 4978600 -234.626 237.647 280.758 237.648 -13.1484 -114.733 280.758 -114.733 46.5225 GPRESSURE: 4978600 -173.59 141.753 261.958 145.286 -25.7488 -109.241 227.914 -118.101 80.0258 PRESSAVG: 4978600 -79.1196 -0.937194 39.5504 -0.93721 58.8909 0.974554 39.5505 0.974454 -1.84668 GPRESSAVG: 4978600 -78.5208 -0.450562 39.173 -2.52329 58.7674 -0.369415 38.0214 2.20274 -2.66495 TIMING: 4978600 CPU: 16033.3, 0.00311586/step Wall: 16033.3, 0.00311586/step, 0.018522 hours remaining, 235.976562 MB of memory in use. ENERGY: 4978600 4014.0217 20514.1040 14578.5577 245.4373 -203815.2334 2802.8735 0.0000 0.0000 52138.4212 -109521.8181 299.6402 -161660.2393 -109153.9652 299.5060 -67.0839 -39.7708 761330.8313 -7.3585 -7.4728 PRESSURE: 4978800 -72.3 -104.929 18.528 -104.928 -310.383 219.24 18.5277 219.239 63.5971 GPRESSURE: 4978800 137.128 -34.3191 91.8307 -14.6685 -366.686 206.937 -26.286 168.095 -5.38861 PRESSAVG: 4978800 -29.9443 -2.00277 23.0276 -2.0028 28.69 -4.94358 23.0277 -4.94357 -12.7665 GPRESSAVG: 4978800 -30.2044 -0.8398 22.9826 -1.1539 29.7406 -3.02858 24.2473 -4.65392 -13.0252 TIMING: 4978800 CPU: 16033.9, 0.00312513/step Wall: 16033.9, 0.00312513/step, 0.0184035 hours remaining, 235.976562 MB of memory in use. ENERGY: 4978800 4019.7737 20605.9793 14521.0299 243.8621 -203841.3617 2789.7464 0.0000 0.0000 52174.6231 -109486.3471 299.8483 -161660.9703 -109113.0179 299.5443 -106.3619 -78.3154 760056.9137 -4.6736 -4.4963 PRESSURE: 4979000 -67.3834 132.449 -34.3014 132.449 84.4594 -120.964 -34.3013 -120.965 -373.364 GPRESSURE: 4979000 -27.5957 -24.7356 -10.8766 -39.9275 182.599 -77.87 -92.2512 -13.8004 -427.875 PRESSAVG: 4979000 -69.2407 8.93551 26.1234 8.93555 55.5245 -30.5136 26.1234 -30.5136 -11.3522 GPRESSAVG: 4979000 -68.9534 9.48871 25.9107 5.55919 54.2725 -32.3145 27.8163 -28.4485 -10.5338 TIMING: 4979000 CPU: 16034.6, 0.00312901/step Wall: 16034.6, 0.00312901/step, 0.0182526 hours remaining, 235.976562 MB of memory in use. ENERGY: 4979000 3953.8305 20652.7246 14462.0390 251.9364 -203662.5448 2741.1884 0.0000 0.0000 52018.0025 -109582.8234 298.9482 -161600.8259 -109220.3400 299.4425 -118.7625 -90.9570 762133.0901 -8.3562 -8.4049 PRESSURE: 4979200 -121.491 -51.3252 -186.157 -51.3251 -363.623 44.5182 -186.158 44.5188 -258.683 GPRESSURE: 4979200 -99.0623 -121.393 -94.9945 -91.8927 -295.757 -45.2686 -114.396 98.8547 -270.291 PRESSAVG: 4979200 -46.2063 24.2515 37.6985 24.2515 29.1744 -32.942 37.6986 -32.9421 21.9973 GPRESSAVG: 4979200 -45.9284 24.1194 38.5283 25.686 30.072 -31.9844 36.6095 -35.3901 21.2093 TIMING: 4979200 CPU: 16035.2, 0.00312502/step Wall: 16035.2, 0.00312502/step, 0.0180557 hours remaining, 235.976562 MB of memory in use. ENERGY: 4979200 4050.9742 20484.6713 14576.2809 230.6806 -203221.5731 2506.5720 0.0000 0.0000 52080.9221 -109291.4719 299.3098 -161372.3940 -108933.3808 299.6824 -247.9323 -221.7032 762638.6761 1.6551 1.7843 PRESSURE: 4979400 185.541 45.484 -135.06 45.4831 -261.007 328.165 -135.061 328.165 -2.09682 GPRESSURE: 4979400 199.247 -72.7071 -194.316 -109.633 -186.997 346.736 -229.815 189.468 -3.61208 PRESSAVG: 4979400 -6.91888 38.1897 51.7549 38.1896 -4.44894 79.1543 51.7549 79.1542 -6.12513 GPRESSAVG: 4979400 -6.90372 37.912 50.2843 38.9879 -4.71287 80.9605 51.5601 76.2812 -6.08168 TIMING: 4979400 CPU: 16035.8, 0.00313363/step Wall: 16035.8, 0.00313363/step, 0.0179313 hours remaining, 235.976562 MB of memory in use. ENERGY: 4979400 3961.5435 20718.7921 14453.5404 236.6509 -203527.5356 2490.8444 0.0000 0.0000 52313.3910 -109352.7734 300.6458 -161666.1644 -108981.4526 300.1273 -25.8542 2.8794 760722.1364 -5.8310 -5.8994 PRESSURE: 4979600 287.016 292.47 -41.8448 292.469 31.74 -90.7809 -41.845 -90.7808 -125.635 GPRESSURE: 4979600 245.662 157.871 26.8958 260.199 145.293 -24.4785 -181.612 -153.626 -125.441 PRESSAVG: 4979600 -62.9347 14.5255 -4.04814 14.5254 5.35803 33.2792 -4.04812 33.2792 -4.69194 GPRESSAVG: 4979600 -64.0789 15.1327 -3.58989 15.3677 5.91136 33.654 -5.44194 33.8523 -4.43168 TIMING: 4979600 CPU: 16036.4, 0.00314624/step Wall: 16036.4, 0.00314624/step, 0.0178287 hours remaining, 235.976562 MB of memory in use. ENERGY: 4979600 4025.0925 20724.0827 14550.0399 267.2311 -203635.1961 2568.1890 0.0000 0.0000 52030.2591 -109470.3017 299.0186 -161500.5608 -109120.0760 299.4127 64.3738 88.5044 759924.7306 -20.7562 -20.8664 PRESSURE: 4979800 282.373 -58.0614 80.286 -58.0614 82.3041 -137.058 80.2861 -137.058 -73.6378 GPRESSURE: 4979800 226.446 9.46595 -3.32746 -66.7449 234.2 -200.311 230.367 -75.7686 -100.672 PRESSAVG: 4979800 25.0488 12.5569 24.9197 12.5569 -1.45086 -36.1985 24.9197 -36.1985 -3.51475 GPRESSAVG: 4979800 25.7523 10.2239 24.7347 11.8548 -2.28005 -36.2366 28.0783 -36.3528 -3.37559 TIMING: 4979800 CPU: 16037.1, 0.00313376/step Wall: 16037.1, 0.00313376/step, 0.0175838 hours remaining, 235.976562 MB of memory in use. ENERGY: 4979800 3934.8597 20545.1627 14526.5294 241.9639 -203601.0085 2675.2311 0.0000 0.0000 52231.0399 -109446.2217 300.1725 -161677.2616 -109068.5374 299.7502 97.0130 119.9914 761288.7821 6.6944 6.6989 PRESSURE: 4980000 -475.481 -88.5018 -158.18 -88.5017 -25.2034 173.789 -158.181 173.788 107.878 GPRESSURE: 4980000 -423.177 31.9861 -86.0417 -31.2948 -6.87423 84.439 -50.8626 171.027 119.018 PRESSAVG: 4980000 40.2179 -19.4949 43.6969 -19.4949 -36.6485 19.2256 43.6969 19.2256 -8.03836 GPRESSAVG: 4980000 39.0665 -19.1208 44.4852 -19.4788 -35.3944 17.0177 41.2796 21.4309 -7.8685 TIMING: 4980000 CPU: 16037.7, 0.00313744/step Wall: 16037.7, 0.00313744/step, 0.0174302 hours remaining, 235.976562 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: 4980000 4051.6217 20668.7478 14525.5651 252.7871 -203429.6316 2320.9746 0.0000 0.0000 52206.0672 -109403.8681 300.0290 -161609.9353 -109042.6871 300.0440 -130.9354 -103.6778 761321.9961 -1.4896 -1.3988 PRESSURE: 4980200 -230.393 -58.9692 -62.6511 -58.9689 -23.882 187.818 -62.6518 187.818 -214.975 GPRESSURE: 4980200 -280.183 -151.375 18.7258 -85.3094 103.154 229.744 -9.78312 46.2665 -205.876 PRESSAVG: 4980200 -43.6603 -39.5047 26.7358 -39.5047 -21.0942 -11.8685 26.7359 -11.8685 3.0499 GPRESSAVG: 4980200 -44.4039 -38.446 26.9405 -39.4613 -21.5626 -10.9346 28.8102 -10.8426 3.8791 TIMING: 4980200 CPU: 16038.3, 0.00313782/step Wall: 16038.3, 0.00313782/step, 0.017258 hours remaining, 235.976562 MB of memory in use. ENERGY: 4980200 4063.3032 20600.8373 14540.2983 267.6756 -203187.1618 2390.3033 0.0000 0.0000 51988.8457 -109335.8984 298.7806 -161324.7441 -108974.6448 299.6823 -156.4167 -127.6354 762482.4091 -20.5682 -20.6958 LDB: ============= START OF LOAD BALANCING ============== 16050.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 16050.7 LDB: =============== DONE WITH MIGRATION ================ 16050.7 LDB: ============= START OF LOAD BALANCING ============== 16051.1 LDB: Largest compute 7075 load 0.035203 is 18.0% of average load 0.195593 LDB: Average compute 0.004397 is 2.2% of average load 0.195593 LDB: TIME 16051.1 LOAD: AVG 0.195593 MAX 0.214211 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 16051.1 LOAD: AVG 0.195593 MAX 0.214211 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 16051.1 LOAD: AVG 0.195593 MAX 0.214211 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 16051.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16051.1 PRESSURE: 4980400 -501.896 -197.807 71.4143 -197.807 -386.503 37.9447 71.4132 37.9464 208.923 GPRESSURE: 4980400 -356.501 -54.1351 143.679 -167.983 -392.641 -48.692 14.5473 41.6269 154.681 PRESSAVG: 4980400 12.4801 -40.2873 69.935 -40.2873 -0.272174 -3.2262 69.935 -3.2261 17.0863 GPRESSAVG: 4980400 13.4778 -40.1795 70.2153 -39.9628 -1.0215 -3.68643 68.9724 -4.09312 16.9493 TIMING: 4980400 CPU: 16039, 0.00319166/step Wall: 16039, 0.00319166/step, 0.0173768 hours remaining, 234.113281 MB of memory in use. ENERGY: 4980400 4039.0265 20452.2188 14520.1469 270.9568 -203220.9534 2222.7865 0.0000 0.0000 52270.3044 -109445.5135 300.3982 -161715.8179 -109075.8566 299.3249 -226.4923 -198.1538 762218.2890 9.7647 9.8019 PRESSURE: 4980600 -330.839 -16.6926 216.647 -16.6918 -434.052 16.472 216.647 16.4716 177.095 GPRESSURE: 4980600 -228.669 -87.2922 306.401 -133.13 -434.147 40.0589 215.138 41.1574 190.13 PRESSAVG: 4980600 8.60647 -66.5033 23.7988 -66.5033 -42.4574 -7.86986 23.7988 -7.86983 -5.24251 GPRESSAVG: 4980600 9.64064 -66.7085 23.0871 -68.7703 -41.926 -8.78978 22.0492 -6.78098 -6.66938 TIMING: 4980600 CPU: 16039.6, 0.00311998/step Wall: 16039.6, 0.00311998/step, 0.0168132 hours remaining, 234.113281 MB of memory in use. ENERGY: 4980600 4029.4432 20557.9570 14529.7011 250.1057 -203225.1633 2207.4504 0.0000 0.0000 51951.1997 -109699.3062 298.5643 -161650.5059 -109332.5056 299.5578 -195.9319 -157.5618 761042.5458 -13.0311 -12.9849 PRESSURE: 4980800 -20.4513 40.4631 -71.1093 40.4636 157.887 -22.2952 -71.109 -22.2954 16.1086 GPRESSURE: 4980800 34.5659 -1.8405 -135.297 33.6882 197.741 -43.6443 -47.8693 -3.16664 -2.92018 PRESSAVG: 4980800 1.05391 -9.84091 22.2481 -9.84091 6.46769 50.196 22.2481 50.1961 -13.7811 GPRESSAVG: 4980800 0.844127 -10.0916 22.395 -7.88744 6.50777 52.2882 21.2317 45.8619 -13.7711 TIMING: 4980800 CPU: 16040.2, 0.00311702/step Wall: 16040.2, 0.00311702/step, 0.0166241 hours remaining, 234.386719 MB of memory in use. ENERGY: 4980800 4045.6448 20569.4772 14553.7309 240.7398 -203566.1197 2555.1461 0.0000 0.0000 51897.5845 -109703.7963 298.2561 -161601.3809 -109336.8236 298.8189 51.1815 76.4624 761030.2046 -2.0865 -2.1397 PRESSURE: 4981000 -335.345 -158.392 -38.122 -158.392 -113.545 91.7625 -38.1217 91.7624 -120.599 GPRESSURE: 4981000 -274.963 -75.3578 -60.3804 -96.1973 -167.028 150.563 136.41 118.232 -39.5001 PRESSAVG: 4981000 -14.598 -2.66058 13.9089 -2.66057 7.12955 -19.3298 13.9089 -19.3298 26.7606 GPRESSAVG: 4981000 -16.1854 -2.38811 13.6938 -1.95352 6.08705 -19.0651 16.645 -18.316 29.9168 TIMING: 4981000 CPU: 16040.8, 0.0031083/step Wall: 16040.8, 0.0031083/step, 0.0164049 hours remaining, 234.386719 MB of memory in use. ENERGY: 4981000 3978.0071 20499.9879 14497.4511 253.0383 -203150.0883 2221.2617 0.0000 0.0000 51741.2007 -109959.1413 297.3574 -161700.3420 -109597.7274 298.8198 -189.8297 -160.4971 761228.1177 6.4307 6.6061 PRESSURE: 4981200 215.113 -183.36 -257.008 -183.359 24.8361 -15.838 -257.008 -15.837 178.516 GPRESSURE: 4981200 255.972 -135.003 -249.631 -134.43 115.83 -40.2989 -360.218 86.3226 139.061 PRESSAVG: 4981200 10.0714 -35.5549 38.1961 -35.555 -49.9042 -4.94281 38.1961 -4.94285 -3.56474 GPRESSAVG: 4981200 11.0112 -35.7548 37.3361 -35.7331 -48.8438 -6.73577 38.0638 -3.27102 -5.83345 TIMING: 4981200 CPU: 16041.4, 0.00310087/step Wall: 16041.4, 0.00310087/step, 0.0161935 hours remaining, 234.386719 MB of memory in use. ENERGY: 4981200 4042.1612 20495.2159 14557.6374 235.0938 -203782.3275 2632.4766 0.0000 0.0000 51954.6430 -109865.0996 298.5840 -161819.7426 -109511.9134 298.8950 139.4884 170.2875 758754.7307 -14.4659 -14.5554 PRESSURE: 4981400 304.631 98.6356 -202.838 98.6358 74.1497 -256.668 -202.838 -256.667 265.254 GPRESSURE: 4981400 320.76 55.3573 -153.328 157.154 170.113 -162.289 -175.489 -227.196 226.095 PRESSAVG: 4981400 -34.0846 2.51557 0.0455663 2.51559 11.4915 -16.2579 0.0455592 -16.2579 18.7523 GPRESSAVG: 4981400 -33.8897 2.1317 0.681276 2.9189 10.4139 -16.5131 0.255037 -15.3044 19.3993 TIMING: 4981400 CPU: 16042.1, 0.0031096/step Wall: 16042.1, 0.0031096/step, 0.0160663 hours remaining, 234.386719 MB of memory in use. ENERGY: 4981400 3979.2284 20490.9937 14473.4264 254.1796 -204019.5763 2789.0482 0.0000 0.0000 52171.6411 -109861.0590 299.8311 -162032.7001 -109500.6281 298.8539 214.6782 238.9891 760445.5419 -1.2803 -1.3588 PRESSURE: 4981600 -44.9952 71.4313 -45.3995 71.4311 -52.7795 -1.10997 -45.3991 -1.11001 -275.299 GPRESSURE: 4981600 20.6393 75.0362 -70.8663 -19.4681 -4.41277 -90.3064 31.9895 53.4928 -295.819 PRESSAVG: 4981600 14.2141 -2.32145 18.4443 -2.32136 -30.6714 -3.31589 18.4443 -3.31582 17.8514 GPRESSAVG: 4981600 13.8116 -3.67019 17.0853 -3.3618 -29.7556 -3.84662 18.9011 -1.92196 17.3891 TIMING: 4981600 CPU: 16042.7, 0.0031281/step Wall: 16042.7, 0.0031281/step, 0.015988 hours remaining, 234.589844 MB of memory in use. ENERGY: 4981600 3986.4276 20461.6280 14453.2769 250.6673 -203640.9568 2566.4669 0.0000 0.0000 52163.4736 -109759.0165 299.7842 -161922.4901 -109396.0622 298.7048 -124.3579 -93.1976 761218.6949 0.4647 0.4817 PRESSURE: 4981800 148.577 151.501 -146.322 151.501 -178.865 103.142 -146.322 103.142 -31.2086 GPRESSURE: 4981800 176.778 165.842 -61.3221 258.188 -145.257 21.447 -175.292 64.0249 1.75415 PRESSAVG: 4981800 -5.0839 22.2703 -1.06156 22.2703 4.4738 3.32881 -1.06156 3.32882 -0.873187 GPRESSAVG: 4981800 -4.54285 25.29 1.03198 20.574 3.61158 5.32935 -3.02168 0.994309 -0.839316 TIMING: 4981800 CPU: 16043.3, 0.00312028/step Wall: 16043.3, 0.00312028/step, 0.0157748 hours remaining, 234.589844 MB of memory in use. ENERGY: 4981800 3962.0069 20644.4160 14516.3114 233.9045 -203494.2955 2465.4852 0.0000 0.0000 52033.2047 -109638.9668 299.0355 -161672.1714 -109271.4110 299.1505 -20.4986 11.0915 761205.7896 -0.4944 -0.5902 PRESSURE: 4982000 -173.069 162.333 -222.956 162.333 -296.402 -76.3596 -222.955 -76.3582 -495.135 GPRESSURE: 4982000 -204.465 95.1639 -180.037 242.931 -311.45 -34.7305 -292.736 -31.595 -380.051 PRESSAVG: 4982000 -7.98242 9.48193 -7.14637 9.48193 -3.69696 21.1161 -7.14637 21.1161 -3.87884 GPRESSAVG: 4982000 -8.13829 8.25526 -8.12675 12.4715 -2.89984 19.6413 -7.15125 22.5996 -4.05572 TIMING: 4982000 CPU: 16043.9, 0.00312423/step Wall: 16043.9, 0.00312423/step, 0.0156211 hours remaining, 234.589844 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: 4982000 3991.0420 20647.1713 14501.0313 240.8487 -203536.2455 2426.7763 0.0000 0.0000 52037.0905 -109692.2853 299.0579 -161729.3758 -109330.4398 298.9695 -321.5356 -298.6555 760457.3556 -5.1861 -5.0313 PRESSURE: 4982200 -110.076 -7.37477 30.707 -7.37529 280.453 130.011 30.7071 130.01 -305.882 GPRESSURE: 4982200 -68.7026 -35.9678 -26.8591 20.919 244.13 122.845 8.09194 59.5542 -246.055 PRESSAVG: 4982200 42.0139 5.43236 -8.25521 5.4324 -9.06932 -37.151 -8.25518 -37.151 -15.1305 GPRESSAVG: 4982200 42.3141 3.25644 -8.35663 5.53699 -10.13 -36.3477 -6.76555 -37.3377 -13.9977 TIMING: 4982200 CPU: 16044.6, 0.00311593/step Wall: 16044.6, 0.00311593/step, 0.0154065 hours remaining, 234.589844 MB of memory in use. ENERGY: 4982200 4035.9589 20635.3245 14528.2237 253.7264 -203395.6057 2400.9109 0.0000 0.0000 51995.4116 -109546.0496 298.8183 -161541.4612 -109179.3508 298.5925 -45.1683 -23.5425 759995.6031 5.9380 6.0621 PRESSURE: 4982400 269.796 73.9699 83.4721 73.9691 155.787 84.0481 83.4717 84.0477 262.145 GPRESSURE: 4982400 319.062 136.556 19.9993 -70.9327 197.956 73.4374 65.4147 13.4675 250.17 PRESSAVG: 4982400 -2.13701 -0.112171 -26.3443 -0.112142 -3.63781 23.7092 -26.3442 23.7092 10.626 GPRESSAVG: 4982400 -1.63477 1.28157 -27.8987 -0.28798 -2.68451 23.5055 -26.22 22.9867 8.89319 TIMING: 4982400 CPU: 16045.2, 0.00312382/step Wall: 16045.2, 0.00312382/step, 0.015272 hours remaining, 234.589844 MB of memory in use. ENERGY: 4982400 4020.5900 20344.7211 14550.5676 223.5405 -203555.2081 2686.0253 0.0000 0.0000 52009.0352 -109720.7284 298.8966 -161729.7636 -109348.7772 298.6385 229.2428 255.7292 759199.8639 1.6171 1.5246 PRESSURE: 4982600 131.126 158.811 -267.032 158.811 -180.785 -88.1126 -267.033 -88.1132 -232.196 GPRESSURE: 4982600 65.7658 155.408 -293.829 75.8497 -106.625 -228.15 -264.272 -84.2561 -149.285 PRESSAVG: 4982600 27.7668 40.4139 12.3864 40.4138 -30.1775 50.295 12.3864 50.2951 -23.9228 GPRESSAVG: 4982600 25.3497 41.814 14.36 38.5073 -29.2636 49.7462 12.1111 50.9455 -22.8866 TIMING: 4982600 CPU: 16045.8, 0.00312522/step Wall: 16045.8, 0.00312521/step, 0.0151052 hours remaining, 234.589844 MB of memory in use. ENERGY: 4982600 3967.6438 20538.6660 14492.5403 236.2047 -203569.4518 2794.2573 0.0000 0.0000 52103.6866 -109436.4531 299.4406 -161540.1396 -109077.1141 298.9421 -93.9517 -63.3812 759747.6752 -8.7778 -8.9335 PRESSURE: 4982800 -151.877 -161.363 52.6801 -161.362 -235.878 -272.012 52.6799 -272.013 141.489 GPRESSURE: 4982800 -60.6609 -82.2819 21.0012 -131.82 -246.079 -167.506 85.0434 -113.388 175.997 PRESSAVG: 4982800 44.0928 -54.2387 -0.0286849 -54.2388 -11.5346 19.7964 -0.0286565 19.7965 -1.47194 GPRESSAVG: 4982800 44.8613 -55.0847 -0.608987 -53.4556 -12.2077 19.1099 0.817968 17.9746 -1.22635 TIMING: 4982800 CPU: 16046.4, 0.00312791/step Wall: 16046.4, 0.00312791/step, 0.0149445 hours remaining, 234.589844 MB of memory in use. ENERGY: 4982800 4007.4073 20396.4976 14434.2474 259.6328 -203384.7016 2671.5875 0.0000 0.0000 52213.1004 -109402.2287 300.0694 -161615.3291 -109035.1626 299.3237 -82.0883 -43.5807 759496.8727 10.3621 10.4757 PRESSURE: 4983000 -212.344 -21.9412 -99.9537 -21.9417 242.375 -31.0134 -99.9532 -31.0135 -7.95588 GPRESSURE: 4983000 -171.516 80.8006 -64.3541 -114.857 382.339 -31.6519 -104.121 -133.812 -72.6693 PRESSAVG: 4983000 -38.7098 -45.2924 22.1662 -45.2924 38.7313 15.4838 22.1662 15.4838 10.3231 GPRESSAVG: 4983000 -37.4248 -47.3675 21.4436 -44.3046 37.8777 16.7018 22.6384 15.5641 9.71996 TIMING: 4983000 CPU: 16047.1, 0.00310837/step Wall: 16047.1, 0.00310837/step, 0.0146784 hours remaining, 234.589844 MB of memory in use. ENERGY: 4983000 3997.2008 20304.3998 14365.9676 254.4896 -202899.5679 2378.1473 0.0000 0.0000 51935.4895 -109663.8732 298.4740 -161599.3627 -109304.6944 299.1489 7.3583 46.0515 758984.9515 3.4482 3.3910 PRESSURE: 4983200 332.24 -68.4268 188.011 -68.427 222.861 359.035 188.012 359.035 27.1006 GPRESSURE: 4983200 317.034 -116.579 117.468 -92.8349 274.028 366.694 81.4766 356.518 71.3074 PRESSAVG: 4983200 2.89012 -34.4175 8.31644 -34.4175 12.8458 7.9285 8.31643 7.92847 -6.0089 GPRESSAVG: 4983200 2.39293 -30.7696 9.93737 -37.0462 13.4003 10.4048 2.93888 6.46828 -6.50102 TIMING: 4983200 CPU: 16047.7, 0.0031104/step Wall: 16047.7, 0.0031104/step, 0.0145152 hours remaining, 234.589844 MB of memory in use. ENERGY: 4983200 3882.4958 20388.0529 14480.8487 252.3296 -203190.1458 2526.4559 0.0000 0.0000 51944.4804 -109715.4824 298.5256 -161659.9629 -109346.2787 298.5534 194.0672 220.7899 759229.8816 3.2423 3.0974 PRESSURE: 4983400 -345.599 63.5571 -15.8889 63.5579 -114.292 -18.2281 -15.8889 -18.2281 17.8956 GPRESSURE: 4983400 -239.162 -9.78854 6.5357 167.216 -86.678 -20.276 -46.6175 48.7611 -26.6303 PRESSAVG: 4983400 -16.4947 -9.87648 -2.46241 -9.87653 27.9303 18.7158 -2.46242 18.7158 10.1354 GPRESSAVG: 4983400 -14.9549 -13.0879 -5.75612 -7.21499 26.5123 15.2583 0.79086 21.6731 10.4104 TIMING: 4983400 CPU: 16048.3, 0.00312512/step Wall: 16048.3, 0.00312513/step, 0.0144103 hours remaining, 234.589844 MB of memory in use. ENERGY: 4983400 4047.7193 20447.5715 14472.9491 230.4006 -203498.0546 2559.1265 0.0000 0.0000 52058.2337 -109682.0541 299.1794 -161740.2878 -109324.1694 298.0009 -147.3319 -117.4900 760218.0586 7.1903 7.3226 PRESSURE: 4983600 -219.499 -2.96464 91.5667 -2.96497 61.3842 203.084 91.5677 203.085 -439.577 GPRESSURE: 4983600 -128.841 -128.313 63.5621 24.6464 156.345 189.679 -20.7958 135.406 -534.968 PRESSAVG: 4983600 -20.2216 -27.5988 -16.3948 -27.5988 -18.0552 38.363 -16.3948 38.363 -2.21649 GPRESSAVG: 4983600 -22.1175 -26.3146 -14.0152 -28.01 -16.2826 39.2458 -16.6731 37.0263 -1.78064 TIMING: 4983600 CPU: 16048.9, 0.00311935/step Wall: 16048.9, 0.00311935/step, 0.0142104 hours remaining, 234.589844 MB of memory in use. ENERGY: 4983600 4080.3386 20520.1292 14463.6046 237.5613 -203473.2014 2587.7153 0.0000 0.0000 51861.6015 -109722.2509 298.0493 -161583.8524 -109358.7746 299.0193 -199.2306 -169.1551 759703.4655 -13.4978 -13.3936 PRESSURE: 4983800 -187.568 -15.2708 -118.387 -15.2711 -122.766 -233.368 -118.386 -233.369 187.559 GPRESSURE: 4983800 -115.263 -87.2379 -70.9267 56.6255 -139.287 -295.294 -71.1983 -184.229 195.123 PRESSAVG: 4983800 10.7127 21.8029 -1.75725 21.8028 4.82861 -17.9246 -1.75721 -17.9247 8.26193 GPRESSAVG: 4983800 11.0825 22.1121 -0.0484292 21.0095 5.07914 -18.0784 -2.93032 -17.9108 7.26157 TIMING: 4983800 CPU: 16049.6, 0.00311323/step Wall: 16049.6, 0.00311323/step, 0.0140095 hours remaining, 234.589844 MB of memory in use. ENERGY: 4983800 4034.6718 20469.8109 14447.0209 247.6887 -203650.8842 2618.0924 0.0000 0.0000 52002.7355 -109830.8640 298.8604 -161833.5995 -109465.1917 298.6326 -40.9249 -19.8088 760186.5961 7.9344 7.8077 PRESSURE: 4984000 13.5956 -242.957 126.963 -242.957 142.618 -123.83 126.962 -123.83 202.819 GPRESSURE: 4984000 29.9816 -149.149 120.785 -175.016 162.343 -168.712 39.4512 -85.3551 252.353 PRESSAVG: 4984000 -45.3166 -12.6338 4.90303 -12.6338 21.5361 -34.6748 4.90308 -34.6749 -41.653 GPRESSAVG: 4984000 -45.1731 -12.6226 2.96348 -11.5531 20.2529 -34.692 6.27905 -34.9866 -40.3948 TIMING: 4984000 CPU: 16050.2, 0.00310977/step Wall: 16050.2, 0.00310977/step, 0.0138212 hours remaining, 234.589844 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: 4984000 3934.1337 20283.2429 14426.4300 246.4350 -203638.0016 2676.7124 0.0000 0.0000 51905.7703 -110165.2773 298.3032 -162071.0475 -109798.6416 298.3603 119.6776 148.2258 757639.3646 -21.8111 -21.7717 PRESSURE: 4984200 51.0134 252.679 -176.844 252.677 -326.658 16.0878 -176.844 16.088 -56.2796 GPRESSURE: 4984200 -14.6487 84.0316 -171.771 230.118 -112.674 71.9764 -335.841 -32.9504 -98.1297 PRESSAVG: 4984200 -42.9913 10.2021 -3.96766 10.2021 4.36072 -46.7706 -3.96769 -46.7706 5.98847 GPRESSAVG: 4984200 -44.1318 11.4475 -2.03714 8.57187 6.19423 -46.2217 -5.60029 -47.7692 5.24604 TIMING: 4984200 CPU: 16050.8, 0.00312472/step Wall: 16050.8, 0.00312472/step, 0.0137141 hours remaining, 234.589844 MB of memory in use. ENERGY: 4984200 3992.8463 20325.9837 14545.0837 252.3107 -203611.5409 2689.7549 0.0000 0.0000 51647.6248 -110157.9367 296.8196 -161805.5615 -109803.8787 297.1881 -110.6415 -75.1509 759318.5694 -10.8807 -10.8972 LDB: ============= START OF LOAD BALANCING ============== 16063.2 LDB: ============== END OF LOAD BALANCING =============== 16063.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16063.2 LDB: ============= START OF LOAD BALANCING ============== 16063.5 LDB: Largest compute 7074 load 0.035152 is 18.0% of average load 0.195567 LDB: Average compute 0.004389 is 2.2% of average load 0.195567 LDB: TIME 16063.5 LOAD: AVG 0.195567 MAX 0.216466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 16063.5 LOAD: AVG 0.195567 MAX 0.216466 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 16063.5 LOAD: AVG 0.195567 MAX 0.216466 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 16063.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16063.6 PRESSURE: 4984400 184.056 -184.335 20.621 -184.335 92.2248 -83.9114 20.6207 -83.9119 261.754 GPRESSURE: 4984400 130.158 -240.673 -7.30408 -53.9112 172.104 -73.1918 140.5 -82.0376 323.463 PRESSAVG: 4984400 -11.5721 17.5562 10.5971 17.5562 51.5582 -22.828 10.5972 -22.828 25.6589 GPRESSAVG: 4984400 -10.4555 15.9807 9.63765 17.3651 49.5956 -23.2683 11.0183 -19.6011 26.2458 TIMING: 4984400 CPU: 16051.4, 0.0031955/step Wall: 16051.4, 0.0031955/step, 0.0138472 hours remaining, 235.394531 MB of memory in use. ENERGY: 4984400 3925.8999 20375.5164 14517.9605 223.4933 -203422.6502 2306.4697 0.0000 0.0000 52025.1956 -110048.1148 298.9895 -162073.3104 -109681.8343 297.9472 179.3449 208.5751 758758.2158 21.8817 21.7953 PRESSURE: 4984600 -44.9507 -203.662 -44.0922 -203.661 86.8299 52.6523 -44.0927 52.652 43.2145 GPRESSURE: 4984600 -32.9945 -168.944 -54.045 -173.007 91.2522 20.5342 -40.0346 139.742 125.832 PRESSAVG: 4984600 -22.0865 -6.94795 39.2336 -6.94798 58.726 -7.94965 39.2336 -7.94954 0.554694 GPRESSAVG: 4984600 -22.2087 -8.56868 40.2601 -3.90435 59.3839 -8.28552 39.9189 -10.6697 -0.326634 TIMING: 4984600 CPU: 16052.1, 0.00312003/step Wall: 16052.1, 0.00312003/step, 0.0133468 hours remaining, 235.464844 MB of memory in use. ENERGY: 4984600 3987.7902 20451.9627 14495.4613 242.7107 -203982.4355 2831.5915 0.0000 0.0000 51972.8170 -110000.1022 298.6885 -161972.9192 -109643.4282 298.3447 28.3646 61.3632 759143.6766 12.3981 12.2829 PRESSURE: 4984800 -262.997 -53.6646 -99.8403 -53.6649 -232.428 -8.7943 -99.8402 -8.79291 -256.242 GPRESSURE: 4984800 -197.416 -91.9575 -10.7845 -26.255 -240.535 66.0947 -106.375 201.206 -229.996 PRESSAVG: 4984800 -11.9807 -20.9714 15.7979 -20.9714 19.9613 14.4303 15.7978 14.4303 10.6565 GPRESSAVG: 4984800 -11.747 -20.2393 15.7982 -21.7326 20.2054 14.8234 15.4411 15.8674 10.3145 TIMING: 4984800 CPU: 16052.7, 0.00312041/step Wall: 16052.7, 0.00312041/step, 0.0131751 hours remaining, 235.667969 MB of memory in use. ENERGY: 4984800 3986.9707 20389.5041 14446.7857 241.9749 -203496.7550 2431.4741 0.0000 0.0000 52155.2534 -109844.7921 299.7370 -162000.0455 -109478.7450 298.8067 -250.5553 -222.6489 760676.0227 6.2124 6.2576 PRESSURE: 4985000 -237.49 42.5376 -14.3036 42.5388 34.4769 24.3143 -14.3038 24.3134 -115.393 GPRESSURE: 4985000 -192.616 65.4922 -29.6058 86.5363 25.5656 -4.37322 0.853106 -14.673 -77.0815 PRESSAVG: 4985000 42.3259 0.0707165 -5.80109 0.0706743 -27.1975 -17.4496 -5.80111 -17.4495 25.0682 GPRESSAVG: 4985000 41.4956 -1.12012 -7.08181 -0.736359 -26.6304 -16.6838 -4.94002 -16.4182 25.4029 TIMING: 4985000 CPU: 16053.3, 0.00312033/step Wall: 16053.3, 0.00312033/step, 0.0130014 hours remaining, 235.738281 MB of memory in use. ENERGY: 4985000 3931.1833 20451.0343 14514.5137 230.7413 -203346.5368 2368.5309 0.0000 0.0000 52055.4864 -109795.0471 299.1636 -161850.5335 -109432.4688 298.6405 -106.1353 -81.3774 760440.2098 13.3989 13.4227 PRESSURE: 4985200 165.726 -149.651 -265.219 -149.651 -326.771 -97.6663 -265.22 -97.6669 -172.011 GPRESSURE: 4985200 170.046 -58.7279 -229.38 -95.3106 -365.551 -186.915 -270.785 -88.9853 -65.982 PRESSAVG: 4985200 7.22889 -49.8826 -19.6357 -49.8826 0.458313 11.8665 -19.6358 11.8665 6.55126 GPRESSAVG: 4985200 8.53758 -48.3703 -18.9989 -49.8212 -1.74658 10.8121 -18.4838 9.67188 6.79541 TIMING: 4985200 CPU: 16053.9, 0.00312986/step Wall: 16053.9, 0.00312986/step, 0.0128672 hours remaining, 235.738281 MB of memory in use. ENERGY: 4985200 3924.6569 20599.4226 14530.2431 246.7576 -203477.5393 2628.7766 0.0000 0.0000 51694.8368 -109852.8457 297.0909 -161547.6826 -109504.6384 298.3315 -111.0187 -87.1624 762071.0049 4.7462 4.5288 PRESSURE: 4985400 29.1735 8.28942 -33.5742 8.28884 110.205 -139.271 -33.573 -139.272 246.353 GPRESSURE: 4985400 95.1052 -44.6261 4.32645 -155.632 168.861 -112.498 29.5238 -56.8292 216.239 PRESSAVG: 4985400 3.59723 -4.10507 23.2164 -4.10511 -38.6076 -34.6306 23.2164 -34.6307 -14.1283 GPRESSAVG: 4985400 2.99022 -4.18169 21.3282 -4.33364 -37.6695 -33.5226 21.581 -32.3874 -14.5575 TIMING: 4985400 CPU: 16054.6, 0.00312709/step Wall: 16054.6, 0.00312709/step, 0.0126821 hours remaining, 235.738281 MB of memory in use. ENERGY: 4985400 3984.4276 20448.2484 14554.8089 260.6847 -203591.4357 2613.2601 0.0000 0.0000 52009.8501 -109720.1560 298.9013 -161730.0061 -109366.8359 298.4359 128.5770 160.0684 760073.8036 -16.3795 -16.4123 PRESSURE: 4985600 -168.881 70.4136 -198.52 70.4142 -53.5759 47.9725 -198.521 47.9735 -111.045 GPRESSURE: 4985600 -120.839 -109.471 -155.245 50.8829 60.0799 -123.177 -125.547 42.8851 -174.681 PRESSAVG: 4985600 3.78673 -16.1035 3.33592 -16.1035 -23.9682 -51.3567 3.33587 -51.3567 -13.8316 GPRESSAVG: 4985600 3.7794 -16.5895 5.62558 -16.8202 -25.1719 -53.956 3.26576 -52.2758 -12.7847 TIMING: 4985600 CPU: 16055.2, 0.00311822/step Wall: 16055.2, 0.00311822/step, 0.0124729 hours remaining, 235.738281 MB of memory in use. ENERGY: 4985600 4032.6815 20264.6344 14494.4977 258.7733 -203432.5582 2508.4434 0.0000 0.0000 52054.4033 -109819.1246 299.1574 -161873.5279 -109451.6651 297.9792 -111.1673 -78.4803 760137.1549 -11.3377 -11.3924 PRESSURE: 4985800 224.504 -38.5139 17.9005 -38.5134 98.553 -12.7813 17.9002 -12.7817 108.345 GPRESSURE: 4985800 160.496 -12.3387 -40.5275 -113.522 154.675 -31.2606 -44.7562 52.2456 208.812 PRESSAVG: 4985800 -20.7876 -56.3249 35.3546 -56.3249 -8.56983 -38.2719 35.3546 -38.2719 -20.5395 GPRESSAVG: 4985800 -19.1997 -55.6757 35.5515 -55.8447 -8.49289 -37.6927 34.4488 -38.1444 -21.3988 TIMING: 4985800 CPU: 16055.8, 0.00313872/step Wall: 16055.8, 0.00313872/step, 0.0123805 hours remaining, 235.804688 MB of memory in use. ENERGY: 4985800 4012.9836 20554.7202 14399.4784 260.6780 -203884.2085 2766.6572 0.0000 0.0000 52142.5162 -109747.1750 299.6638 -161889.6911 -109382.4049 298.6522 143.8006 174.6611 761702.0416 -16.6323 -16.3638 PRESSURE: 4986000 174.908 -143.28 201.293 -143.28 -12.6497 -5.81575 201.293 -5.81471 26.191 GPRESSURE: 4986000 168.297 -156.585 93.9834 -157.512 86.6185 54.8806 190.477 64.7973 41.6621 PRESSAVG: 4986000 20.3267 -101.214 58.2681 -101.214 -21.8698 -2.89768 58.2681 -2.89767 -17.7304 GPRESSAVG: 4986000 18.3467 -103.268 56.1514 -98.8992 -20.6659 -2.11787 59.5162 -3.58584 -17.5085 TIMING: 4986000 CPU: 16056.4, 0.00311633/step Wall: 16056.4, 0.00311633/step, 0.0121191 hours remaining, 235.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4986000 3952.1708 20514.1177 14490.7662 248.5229 -203397.8290 2505.7968 0.0000 0.0000 51630.5323 -110055.9222 296.7214 -161686.4545 -109694.3974 298.3519 62.8163 98.8591 759484.7219 -6.4245 -6.6092 PRESSURE: 4986200 58.3645 40.8593 156.98 40.8598 -93.6521 41.4424 156.979 41.4428 -288.375 GPRESSURE: 4986200 103.429 65.6138 64.9438 11.7077 -76.4632 4.57344 122.643 -95.7182 -264.015 PRESSAVG: 4986200 -31.4529 -18.972 7.22908 -18.972 -6.32599 26.1951 7.2291 26.195 10.0328 GPRESSAVG: 4986200 -30.817 -19.1106 7.8931 -18.6993 -6.53 25.4124 6.45857 24.6003 9.88272 TIMING: 4986200 CPU: 16057.1, 0.00311557/step Wall: 16057.1, 0.00311557/step, 0.011943 hours remaining, 235.804688 MB of memory in use. ENERGY: 4986200 4012.2412 20494.8748 14493.0654 236.2780 -203677.1775 2687.6842 0.0000 0.0000 51835.3127 -109917.7212 297.8983 -161753.0339 -109564.1536 297.8250 -107.8877 -79.0163 759206.3442 -9.2487 -9.1548 PRESSURE: 4986400 -51.5906 14.703 -33.4772 14.7033 -72.8338 212.379 -33.4774 212.378 -37.5753 GPRESSURE: 4986400 -89.8651 44.4147 18.0271 26.1511 7.22963 227.882 -27.8426 219.246 -25.7427 PRESSAVG: 4986400 17.8605 -16.6155 55.0259 -16.6155 13.6667 -33.3951 55.0258 -33.395 -8.0439 GPRESSAVG: 4986400 17.3262 -16.355 55.1271 -17.0962 13.2243 -34.6918 57.351 -29.6195 -7.12394 TIMING: 4986400 CPU: 16057.7, 0.00313548/step Wall: 16057.7, 0.00313548/step, 0.0118452 hours remaining, 235.804688 MB of memory in use. ENERGY: 4986400 3991.2659 20517.2817 14473.6191 249.2057 -203656.7747 2528.3943 0.0000 0.0000 51844.9743 -110052.0338 297.9538 -161897.0081 -109690.9601 298.6433 -53.9999 -36.1261 760101.7402 7.8277 7.8089 PRESSURE: 4986600 73.9884 62.6943 20.3272 62.6937 -359.132 -4.55028 20.3278 -4.54911 152.26 GPRESSURE: 4986600 25.2903 37.0775 33.6976 -63.7319 -292.802 37.1294 -52.9861 -81.3572 242.283 PRESSAVG: 4986600 15.9484 1.48545 -32.4458 1.48541 22.3594 34.8643 -32.4459 34.8643 5.43186 GPRESSAVG: 4986600 15.9608 2.3537 -33.794 -0.553696 22.3865 36.4521 -32.6472 33.0666 5.1779 TIMING: 4986600 CPU: 16058.3, 0.00313117/step Wall: 16058.3, 0.00313117/step, 0.0116549 hours remaining, 235.804688 MB of memory in use. ENERGY: 4986600 3916.4219 20289.1363 14443.1851 238.3000 -203279.8812 2401.3427 0.0000 0.0000 51926.7195 -110064.7755 298.4236 -161991.4951 -109704.4557 298.5151 -44.2946 -8.4094 760779.1129 14.5799 14.5084 PRESSURE: 4986800 -235.869 26.5793 -139.758 26.5786 -241.552 -127.329 -139.758 -127.329 -235.702 GPRESSURE: 4986800 -146.73 -39.4473 -95.3858 144.14 -190.542 -148.767 -115.002 -116.473 -284.137 PRESSAVG: 4986800 0.0619163 3.75975 -8.48255 3.7597 2.38333 -0.114882 -8.4825 -0.11488 -13.7518 GPRESSAVG: 4986800 -1.3308 4.4339 -5.37555 5.88008 2.67533 -0.196907 -10.1201 0.400039 -13.0234 TIMING: 4986800 CPU: 16058.9, 0.00313893/step Wall: 16058.9, 0.00313893/step, 0.0115094 hours remaining, 235.804688 MB of memory in use. ENERGY: 4986800 3890.7996 20454.4231 14442.0319 246.4412 -203353.6877 2417.3340 0.0000 0.0000 51862.6467 -110040.0112 298.0553 -161902.6579 -109685.0158 297.9129 -237.7075 -207.1365 761419.8299 -3.7689 -3.8930 PRESSURE: 4987000 11.0186 59.577 -156.152 59.5769 -57.1388 -326.726 -156.152 -326.726 -11.1813 GPRESSURE: 4987000 4.97146 98.3926 -172.176 -13.4674 41.2275 -458.454 -89.3357 -230.019 -14.6376 PRESSAVG: 4987000 41.2347 41.0966 16.9658 41.0966 -57.2404 -26.9817 16.9659 -26.9817 16.7336 GPRESSAVG: 4987000 42.3981 39.9329 15.1929 38.7409 -57.2806 -27.0183 16.5389 -26.1983 15.6749 TIMING: 4987000 CPU: 16059.6, 0.00313495/step Wall: 16059.6, 0.00313495/step, 0.0113207 hours remaining, 235.804688 MB of memory in use. ENERGY: 4987000 3963.2613 20529.8359 14430.1940 249.7273 -203509.4313 2657.7815 0.0000 0.0000 51622.1677 -110056.4636 296.6733 -161678.6314 -109690.9872 298.1780 -19.1005 10.5205 761621.9966 0.2426 0.2641 PRESSURE: 4987200 -9.02192 -66.5756 -18.656 -66.5749 -134.803 -119.363 -18.6553 -119.361 -167.218 GPRESSURE: 4987200 -28.1186 -185.432 53.9943 -34.5049 34.0072 -78.6097 38.0033 -119.014 -221.978 PRESSAVG: 4987200 18.3024 -53.4028 -46.1869 -53.4028 -15.3759 -13.4616 -46.1868 -13.4615 -22.8248 GPRESSAVG: 4987200 18.4803 -52.747 -45.4209 -52.8384 -15.5419 -15.1151 -45.0558 -12.8483 -23.0535 TIMING: 4987200 CPU: 16060.2, 0.00313591/step Wall: 16060.2, 0.00313591/step, 0.0111499 hours remaining, 236.003906 MB of memory in use. ENERGY: 4987200 3987.8620 20485.9153 14448.1013 262.1593 -203188.9111 2169.0445 0.0000 0.0000 51769.3498 -110066.4789 297.5192 -161835.8287 -109707.8164 297.7860 -103.6809 -72.0296 759646.1770 -6.6327 -6.7050 PRESSURE: 4987400 -135.816 -158.662 -296.456 -158.661 137.307 -8.46787 -296.456 -8.46775 -126.261 GPRESSURE: 4987400 -38.8656 -236.803 -358.057 -196.71 79.8669 -176.833 -321.444 110.83 -103.175 PRESSAVG: 4987400 37.2612 -35.7355 -20.4443 -35.7355 1.50696 2.28277 -20.4442 2.28278 9.72786 GPRESSAVG: 4987400 36.9888 -34.7506 -21.0269 -35.6285 1.65064 4.04815 -20.8905 0.656186 9.33702 TIMING: 4987400 CPU: 16060.8, 0.00313733/step Wall: 16060.8, 0.00313733/step, 0.0109806 hours remaining, 236.003906 MB of memory in use. ENERGY: 4987400 3988.2008 20322.8635 14476.5493 249.0049 -202976.1734 2095.7546 0.0000 0.0000 51836.2317 -110007.5685 297.9035 -161843.8002 -109639.9513 297.8526 -41.5900 -20.7246 760048.0260 16.1653 15.9922 PRESSURE: 4987600 -83.3435 169.813 118.798 169.813 -1.37464 -170.528 118.799 -170.527 252.132 GPRESSURE: 4987600 54.7192 240.648 123.886 38.0257 -49.3267 -184.017 133.276 -67.1373 242.705 PRESSAVG: 4987600 -6.46642 36.2696 -29.5574 36.2695 9.00741 -51.9121 -29.5575 -51.9122 -4.26374 GPRESSAVG: 4987600 -5.37967 35.1057 -29.787 36.5044 7.62199 -51.8904 -29.0503 -50.2051 -3.7429 TIMING: 4987600 CPU: 16061.5, 0.0031322/step Wall: 16061.5, 0.0031322/step, 0.0107887 hours remaining, 236.003906 MB of memory in use. ENERGY: 4987600 4022.8329 20370.0007 14428.5206 256.5421 -203363.3278 2296.8041 0.0000 0.0000 52010.7771 -109977.8503 298.9067 -161988.6275 -109614.3920 297.9979 55.8047 82.6993 760447.8235 -0.5743 -0.5002 PRESSURE: 4987800 10.7096 -91.1037 160.626 -91.1032 -384.319 -30.4297 160.625 -30.4296 -62.5655 GPRESSURE: 4987800 -8.28871 -72.7913 223.965 -50.0374 -314.446 -137.013 58.2128 38.8239 -36.8105 PRESSAVG: 4987800 -3.36982 -53.274 15.6928 -53.274 -37.6288 -20.4916 15.6928 -20.4917 -17.5707 GPRESSAVG: 4987800 -4.62952 -53.5689 17.3599 -50.9957 -36.7792 -22.7663 15.6394 -22.3517 -18.104 TIMING: 4987800 CPU: 16062.1, 0.00314251/step Wall: 16062.1, 0.00314251/step, 0.0106496 hours remaining, 236.003906 MB of memory in use. ENERGY: 4987800 3974.9306 20454.3800 14432.8958 242.2635 -203058.9455 2162.9730 0.0000 0.0000 51785.2390 -110006.2636 297.6105 -161791.5026 -109659.2146 297.8957 -145.3917 -119.8484 760119.4905 -19.5231 -19.8376 PRESSURE: 4988000 -67.3546 -78.4108 -138.767 -78.4111 136.319 70.5617 -138.768 70.5622 371.715 GPRESSURE: 4988000 -21.1224 -117.006 -175.147 -100.924 153.343 94.2745 -96.0411 127.216 403.238 PRESSAVG: 4988000 24.3311 -25.6933 28.311 -25.6933 -24.944 -9.00035 28.3111 -9.00032 -15.1766 GPRESSAVG: 4988000 23.7667 -24.3923 27.1482 -28.7383 -25.2347 -6.97277 27.1936 -9.29354 -13.9018 TIMING: 4988000 CPU: 16062.7, 0.00315029/step Wall: 16062.7, 0.0031503/step, 0.010501 hours remaining, 236.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4988000 3848.4373 20517.0463 14464.4430 222.3199 -203464.7398 2365.3046 0.0000 0.0000 51780.6313 -110266.5574 297.5840 -162047.1887 -109914.9872 297.3926 146.8932 178.4863 759527.5931 -5.2632 -5.1233 PRESSURE: 4988200 127.928 91.2625 178.484 91.2621 -80.1626 245.432 178.485 245.432 -197.064 GPRESSURE: 4988200 105.051 78.0434 82.5248 138.482 -45.9748 251.406 130.749 164.618 -146.933 PRESSAVG: 4988200 -0.314305 -6.93118 -38.4749 -6.93109 -9.66813 -60.3864 -38.4749 -60.3865 13.9556 GPRESSAVG: 4988200 -0.458116 -8.26669 -40.3174 -4.73341 -9.13504 -59.974 -37.3172 -60.6817 13.0796 TIMING: 4988200 CPU: 16063.3, 0.00314644/step Wall: 16063.3, 0.00314644/step, 0.0103133 hours remaining, 236.003906 MB of memory in use. ENERGY: 4988200 3961.5544 20368.6875 14536.2065 235.4620 -203331.9790 2500.0105 0.0000 0.0000 51594.1766 -110135.8815 296.5124 -161730.0581 -109786.9319 297.2162 -49.7660 -29.2857 760969.2581 1.3244 1.1622 LDB: ============= START OF LOAD BALANCING ============== 16075.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 16075.8 LDB: =============== DONE WITH MIGRATION ================ 16075.8 LDB: ============= START OF LOAD BALANCING ============== 16076.1 LDB: Largest compute 7075 load 0.036526 is 18.7% of average load 0.195647 LDB: Average compute 0.004382 is 2.2% of average load 0.195647 LDB: TIME 16076.1 LOAD: AVG 0.195647 MAX 0.217614 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.461 MB LDB: TIME 16076.1 LOAD: AVG 0.195647 MAX 0.217614 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.461 MB LDB: TIME 16076.1 LOAD: AVG 0.195647 MAX 0.217614 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.461 MB LDB: ============== END OF LOAD BALANCING =============== 16076.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16076.1 PRESSURE: 4988400 -70.5887 -240.03 195.159 -240.03 67.3891 -69.0887 195.159 -69.0899 -266.993 GPRESSURE: 4988400 38.885 -216.082 85.3292 -137.978 40.6267 24.183 122.038 -92.7217 -273.258 PRESSAVG: 4988400 30.5014 -88.4108 -18.1592 -88.4108 -23.897 14.6492 -18.1593 14.6491 -7.98851 GPRESSAVG: 4988400 31.1787 -88.023 -14.6826 -87.5855 -25.165 14.8075 -17.9066 14.6355 -7.81411 TIMING: 4988400 CPU: 16064, 0.00319136/step Wall: 16064, 0.00319136/step, 0.0102833 hours remaining, 235.906250 MB of memory in use. ENERGY: 4988400 3969.6935 20445.3640 14558.3475 241.9818 -203291.1936 2350.8345 0.0000 0.0000 51767.1037 -109957.8686 297.5063 -161724.9724 -109596.5305 298.1213 -90.0642 -64.5821 760857.3913 -0.4614 -0.6001 PRESSURE: 4988600 -1.53436 260.581 -62.1795 260.581 166.924 217.858 -62.1794 217.858 -99.3648 GPRESSURE: 4988600 19.7837 313.223 -102.392 115.435 297.199 239.829 -229.308 127.813 -147.261 PRESSAVG: 4988600 1.2705 -51.2473 10.1461 -51.2473 39.7154 61.8383 10.1461 61.8384 27.8248 GPRESSAVG: 4988600 1.41881 -49.9048 9.07438 -52.467 41.4882 59.7204 8.28114 63.3355 25.8793 TIMING: 4988600 CPU: 16064.6, 0.00313432/step Wall: 16064.6, 0.00313432/step, 0.00992534 hours remaining, 236.363281 MB of memory in use. ENERGY: 4988600 3928.7451 20466.8593 14492.8846 239.7790 -203593.7235 2602.9768 0.0000 0.0000 51867.1360 -109995.3427 298.0811 -161862.4787 -109651.7459 298.2567 22.0084 56.5738 759773.9962 22.9369 22.9287 PRESSURE: 4988800 153.01 -152.897 13.0373 -152.898 537.097 -42.0427 13.0366 -42.0424 544.521 GPRESSURE: 4988800 271.721 -152.683 -68.008 -225.319 460.98 -74.2719 66.6454 -117.321 582.422 PRESSAVG: 4988800 -21.3406 -25.1175 -6.74317 -25.1176 15.1975 62.7314 -6.74318 62.7313 6.19508 GPRESSAVG: 4988800 -21.6892 -26.7831 -8.53375 -24.4913 15.2027 62.5399 -2.43745 61.4922 6.46377 TIMING: 4988800 CPU: 16065.2, 0.00314734/step Wall: 16065.2, 0.00314734/step, 0.00979171 hours remaining, 236.363281 MB of memory in use. ENERGY: 4988800 3966.0444 20588.1559 14443.5885 258.5656 -203791.1186 2917.6024 0.0000 0.0000 51879.6308 -109737.5311 298.1530 -161617.1619 -109383.7854 298.3951 411.5429 438.3745 758486.3383 0.0173 -0.0076 PRESSURE: 4989000 113.119 -184.057 167.17 -184.057 118.099 -52.3575 167.172 -52.3586 -315.663 GPRESSURE: 4989000 127.748 -269.416 217.29 -185.972 152.329 -16.7671 192.508 -42.8296 -286.096 PRESSAVG: 4989000 -27.6925 -51.2676 25.4294 -51.2677 7.91551 -45.5574 25.4294 -45.5574 -22.2475 GPRESSAVG: 4989000 -27.2166 -50.7815 27.3261 -53.3443 7.0741 -45.409 24.1896 -43.7343 -21.6664 TIMING: 4989000 CPU: 16065.9, 0.0031275/step Wall: 16065.9, 0.0031275/step, 0.00955624 hours remaining, 236.621094 MB of memory in use. ENERGY: 4989000 3980.4794 20419.6517 14414.6734 230.1855 -203000.4297 2150.2933 0.0000 0.0000 52009.5561 -109795.5903 298.8996 -161805.1465 -109432.9957 298.3107 -28.1483 -2.0061 762019.8187 -14.0081 -13.9363 PRESSURE: 4989200 141.96 -17.2752 -67.9793 -17.2755 132.989 115.351 -67.9789 115.35 -152.254 GPRESSURE: 4989200 174.465 -1.82946 -87.8523 -64.5068 120.138 119.896 -56.7578 114.95 -108.539 PRESSAVG: 4989200 20.7228 -37.9341 31.5163 -37.9341 -35.5338 -5.03374 31.5163 -5.03378 2.26289 GPRESSAVG: 4989200 21.708 -38.3282 31.1628 -37.2796 -35.6418 -4.30682 31.0654 -8.26758 1.55808 TIMING: 4989200 CPU: 16066.5, 0.00315456/step Wall: 16066.5, 0.00315456/step, 0.00946368 hours remaining, 236.621094 MB of memory in use. ENERGY: 4989200 4002.0283 20541.1448 14564.3039 232.0432 -203786.5965 2897.9465 0.0000 0.0000 51824.5334 -109724.5962 297.8363 -161549.1296 -109368.4019 298.3705 40.8983 62.0213 761150.5714 -4.1827 -4.1252 PRESSURE: 4989400 -254.484 -141.156 -5.0559 -141.155 149.63 147.019 -5.05563 147.02 211.165 GPRESSURE: 4989400 -217.891 -85.0592 31.4524 -261.299 181.77 112.403 52.4387 309.354 210.419 PRESSAVG: 4989400 -28.7211 -75.4791 38.8398 -75.4791 22.1025 -15.5235 38.8398 -15.5235 26.0396 GPRESSAVG: 4989400 -28.7032 -75.865 39.5881 -77.15 21.4815 -14.8686 38.3516 -12.7317 27.0284 TIMING: 4989400 CPU: 16067.1, 0.00315088/step Wall: 16067.1, 0.00315088/step, 0.00927758 hours remaining, 236.621094 MB of memory in use. ENERGY: 4989400 3915.7013 20494.1154 14481.4941 245.3022 -203264.1720 2523.3215 0.0000 0.0000 51914.8673 -109689.3701 298.3555 -161604.2373 -109325.6845 298.5901 35.4368 58.0997 762005.2914 6.4737 6.6022 PRESSURE: 4989600 167.546 42.3146 258.658 42.3146 233.228 -79.2863 258.657 -79.2845 6.52871 GPRESSURE: 4989600 182.617 47.6481 335.076 -119.318 257.383 -77.5866 292.521 -60.8831 54.8684 PRESSAVG: 4989600 -21.6886 -63.8695 25.4579 -63.8695 -1.423 -49.3915 25.4579 -49.3915 -13.8821 GPRESSAVG: 4989600 -22.5629 -64.486 26.6817 -61.3277 -0.146892 -51.4926 25.618 -50.2749 -14.388 TIMING: 4989600 CPU: 16067.8, 0.00314648/step Wall: 16067.8, 0.00314648/step, 0.00908982 hours remaining, 236.621094 MB of memory in use. ENERGY: 4989600 3935.9122 20440.4136 14453.5366 240.2551 -203366.2497 2533.0328 0.0000 0.0000 51948.0290 -109815.0704 298.5460 -161763.0995 -109440.2584 298.5687 135.7674 164.9561 761092.3456 -12.3312 -12.3659 PRESSURE: 4989800 -68.1656 -286.641 31.873 -286.641 147.812 62.4571 31.8741 62.4573 138.868 GPRESSURE: 4989800 54.4932 -198.695 54.9688 -200.817 108.41 43.3355 26.7979 191.864 136.034 PRESSAVG: 4989800 28.3596 -83.6485 49.1131 -83.6485 -11.1685 17.1653 49.1131 17.1652 7.15363 GPRESSAVG: 4989800 28.7892 -82.0421 47.9038 -83.0074 -12.3272 17.6357 47.6101 18.3743 8.35309 TIMING: 4989800 CPU: 16068.4, 0.00313166/step Wall: 16068.4, 0.00313166/step, 0.00887304 hours remaining, 236.621094 MB of memory in use. ENERGY: 4989800 3895.6592 20617.0931 14470.4741 259.4470 -203148.0877 2208.2897 0.0000 0.0000 51942.3144 -109754.8100 298.5132 -161697.1245 -109392.0426 298.5654 72.8383 99.6457 759825.3956 8.1149 8.2717 PRESSURE: 4990000 -40.2209 -120.427 -215.484 -120.427 141.695 -250.435 -215.485 -250.436 -36.1932 GPRESSURE: 4990000 -38.6127 -179.438 -251.925 -145.301 140.529 -270.944 -132.917 -301.955 42.615 PRESSAVG: 4990000 -6.68106 -50.4869 -6.56469 -50.4869 2.38034 -6.42677 -6.56468 -6.42672 -14.3543 GPRESSAVG: 4990000 -7.62226 -48.1918 -6.19165 -53.1505 3.83766 -6.64566 -5.20364 -9.18693 -14.8263 TIMING: 4990000 CPU: 16069, 0.00314643/step Wall: 16069, 0.00314643/step, 0.00874008 hours remaining, 236.621094 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: 4990000 4036.5524 20396.8799 14481.0476 240.7626 -203614.0748 2653.4295 0.0000 0.0000 52159.5792 -109645.8236 299.7618 -161805.4028 -109288.5831 298.8166 21.7604 48.1772 762181.9748 -6.2183 -6.2036 PRESSURE: 4990200 -39.5164 38.1359 -158.483 38.1343 -130.192 111.901 -158.483 111.9 315.774 GPRESSURE: 4990200 -34.4377 -60.5476 -199.512 -107.656 -92.2601 53.1304 -43.3591 128.822 352.138 PRESSAVG: 4990200 -37.5421 -25.7103 -35.8699 -25.7103 -8.07736 -32.2431 -35.8698 -32.2431 5.82925 GPRESSAVG: 4990200 -36.2508 -30.2826 -35.1569 -23.5025 -9.67485 -31.2344 -37.3369 -29.4183 6.21342 TIMING: 4990200 CPU: 16069.6, 0.00316027/step Wall: 16069.6, 0.00316027/step, 0.00860296 hours remaining, 236.621094 MB of memory in use. ENERGY: 4990200 3959.7281 20510.9452 14527.1772 241.4762 -203473.5438 2437.1848 0.0000 0.0000 52269.8379 -109527.1944 300.3955 -161797.0324 -109158.7515 299.2900 48.6883 75.1468 762911.3077 -13.2634 -13.2374 PRESSURE: 4990400 -163.757 22.5196 -23.0623 22.5199 112.986 -227.449 -23.0618 -227.449 -363.698 GPRESSURE: 4990400 -88.827 46.0861 -83.8632 16.9307 145.394 -222.278 108.301 -75.1598 -371.645 PRESSAVG: 4990400 -7.06055 -73.6653 -18.102 -73.6653 28.6807 -49.8478 -18.102 -49.8478 8.70674 GPRESSAVG: 4990400 -7.17698 -72.1574 -17.4139 -75.2547 29.2614 -49.081 -16.9653 -50.5293 8.3931 TIMING: 4990400 CPU: 16070.3, 0.00314371/step Wall: 16070.3, 0.00314371/step, 0.00838322 hours remaining, 236.621094 MB of memory in use. ENERGY: 4990400 4005.4388 20455.5036 14465.8913 254.4876 -203298.2314 2502.3433 0.0000 0.0000 52105.6475 -109508.9194 299.4519 -161614.5668 -109153.1150 299.1231 -138.1562 -105.0262 761477.2298 10.1090 10.1592 PRESSURE: 4990600 -58.2577 -144.455 94.9667 -144.456 181.337 143.455 94.9671 143.454 39.1599 GPRESSURE: 4990600 7.7661 -117.732 105.729 -201.03 152.166 181.982 149.353 112.765 78.1926 PRESSAVG: 4990600 -30.0417 1.55906 -1.03686 1.55902 -6.3274 2.9783 -1.03684 2.9783 -13.9327 GPRESSAVG: 4990600 -30.7693 2.06894 -1.96871 3.44836 -6.38057 2.23528 -2.30582 2.78562 -13.1519 TIMING: 4990600 CPU: 16070.9, 0.00315691/step Wall: 16070.9, 0.00315691/step, 0.00824305 hours remaining, 236.621094 MB of memory in use. ENERGY: 4990600 4072.8532 20530.4143 14419.5563 224.2349 -203532.0327 2650.8594 0.0000 0.0000 52050.0647 -109584.0499 299.1324 -161634.1147 -109228.4799 299.1188 54.0799 79.3748 760944.1310 -16.7673 -16.7673 PRESSURE: 4990800 244.016 123.202 79.7689 123.203 179.939 -29.4865 79.7688 -29.486 -160.413 GPRESSURE: 4990800 242.858 95.9996 14.5729 41.3257 222.157 49.5826 145.942 -90.4222 -127.701 PRESSAVG: 4990800 7.15078 -24.4978 12.1166 -24.4978 -58.134 -52.5208 12.1166 -52.521 8.38191 GPRESSAVG: 4990800 7.35465 -26.4834 10.1177 -26.7003 -57.7627 -52.003 15.8417 -53.1548 7.39474 TIMING: 4990800 CPU: 16071.5, 0.00314427/step Wall: 16071.5, 0.00314427/step, 0.00803535 hours remaining, 236.621094 MB of memory in use. ENERGY: 4990800 3970.6171 20443.6103 14448.9312 247.0301 -203338.7130 2611.0648 0.0000 0.0000 52040.5466 -109576.9130 299.0777 -161617.4596 -109220.7267 299.0618 87.8474 112.4380 761176.0038 -14.2004 -14.3378 PRESSURE: 4991000 380.056 -80.2992 -96.3272 -80.2992 -506.337 267.562 -96.327 267.562 -247.413 GPRESSURE: 4991000 352.39 -142.829 -119.098 -31.2466 -415.014 255.618 -94.2987 230.113 -212.658 PRESSAVG: 4991000 -21.0888 -2.3124 -6.4611 -2.3124 45.7337 24.9742 -6.46105 24.9743 -1.00506 GPRESSAVG: 4991000 -22.2385 -0.299007 -5.55571 -0.421254 46.1695 23.1492 -9.06158 23.8712 -0.595114 TIMING: 4991000 CPU: 16072.2, 0.00314924/step Wall: 16072.2, 0.00314924/step, 0.00787309 hours remaining, 236.621094 MB of memory in use. ENERGY: 4991000 4018.9361 20485.9943 14462.8686 226.9423 -203355.6167 2396.9033 0.0000 0.0000 52305.6464 -109458.3259 300.6013 -161763.9722 -109096.1704 299.5935 -124.5650 -91.7605 760906.0955 7.8800 7.7786 PRESSURE: 4991200 115.384 144.531 93.845 144.532 78.5267 104.504 93.8452 104.503 165.594 GPRESSURE: 4991200 193.403 125.25 46.6715 143.546 146.97 119.888 18.9005 159.808 104.136 PRESSAVG: 4991200 19.2733 1.31542 -43.7321 1.31549 -37.5175 2.28573 -43.7321 2.28566 -11.2373 GPRESSAVG: 4991200 18.884 -0.0696987 -42.5464 3.30645 -37.3482 3.33228 -45.8763 2.58504 -11.1218 TIMING: 4991200 CPU: 16072.8, 0.00316142/step Wall: 16072.8, 0.00316142/step, 0.00772792 hours remaining, 236.621094 MB of memory in use. ENERGY: 4991200 3997.0496 20501.9925 14472.3686 248.2871 -203393.1223 2449.3297 0.0000 0.0000 52010.1772 -109713.9176 298.9032 -161724.0948 -109351.7663 299.1237 119.8352 148.1697 759882.4881 -9.8272 -9.8620 PRESSURE: 4991400 -160.95 47.9564 54.8229 47.9567 4.34559 -62.3443 54.8238 -62.3431 -90.5751 GPRESSURE: 4991400 -8.45821 123.768 82.3572 138.735 -54.5419 -68.5681 -49.7633 -12.1038 -104.381 PRESSAVG: 4991400 17.6538 -36.3934 -39.8804 -36.3934 -22.6326 75.7097 -39.8804 75.7097 1.35821 GPRESSAVG: 4991400 19.497 -37.0955 -40.5536 -38.7117 -24.0161 74.7946 -39.6587 78.1776 0.522721 TIMING: 4991400 CPU: 16073.4, 0.00312726/step Wall: 16073.4, 0.00312726/step, 0.00747067 hours remaining, 236.621094 MB of memory in use. ENERGY: 4991400 3948.7283 20689.8386 14383.4124 241.6075 -203538.6108 2619.4037 0.0000 0.0000 52095.9818 -109559.6383 299.3963 -161655.6201 -109205.7692 299.0971 -82.3933 -55.7935 760888.5765 -1.2069 -1.3321 PRESSURE: 4991600 368.716 28.8046 13.0659 28.805 178.279 -170.335 13.0668 -170.334 111.702 GPRESSURE: 4991600 414.575 44.3779 67.1896 1.59322 177.992 -173.52 25.8655 -128.44 138.388 PRESSAVG: 4991600 14.9753 2.91802 4.16951 2.91803 -4.78698 23.568 4.16949 23.5681 -27.9266 GPRESSAVG: 4991600 14.6939 4.8497 4.75083 3.41412 -5.11175 25.1605 5.2622 22.0263 -27.1079 TIMING: 4991600 CPU: 16074, 0.00314181/step Wall: 16074, 0.00314181/step, 0.00733089 hours remaining, 236.621094 MB of memory in use. ENERGY: 4991600 3932.6196 20553.8904 14483.0597 250.3136 -203356.4824 2462.9505 0.0000 0.0000 52129.9002 -109543.7483 299.5913 -161673.6485 -109178.8900 299.6035 219.5656 243.6515 759252.7922 -5.9127 -5.8419 PRESSURE: 4991800 49.818 -113.627 155.94 -113.629 -159.715 -102.045 155.94 -102.045 340.364 GPRESSURE: 4991800 82.3559 -54.1704 187.752 -118.284 -125.302 -57.7691 191.235 -26.9857 357.93 PRESSAVG: 4991800 -13.0693 28.8888 25.0019 28.8888 22.966 2.90866 25.0019 2.90863 4.84712 GPRESSAVG: 4991800 -14.982 27.5171 24.6132 27.4715 24.3227 1.71579 24.3477 2.45274 5.12816 TIMING: 4991800 CPU: 16074.7, 0.00312787/step Wall: 16074.7, 0.00312787/step, 0.00712459 hours remaining, 236.621094 MB of memory in use. ENERGY: 4991800 3945.9624 20357.0630 14416.0200 238.3894 -203164.8004 2535.7557 0.0000 0.0000 52237.7537 -109433.8562 300.2111 -161671.6099 -109083.2672 299.3118 76.8224 104.9946 760961.1782 4.9146 4.8230 PRESSURE: 4992000 -81.1378 11.7506 411.437 11.75 -64.3414 10.239 411.437 10.2387 -99.2498 GPRESSURE: 4992000 -123.799 61.6225 397.623 -37.0144 -39.1032 -12.5574 248.224 -119.929 24.6347 PRESSAVG: 4992000 -7.27447 10.6242 -7.55053 10.6241 11.1627 23.8355 -7.55048 23.8354 -15.6928 GPRESSAVG: 4992000 -6.04861 12.4123 -7.78187 10.2842 10.4467 23.2399 -5.45871 25.8771 -15.8073 TIMING: 4992000 CPU: 16075.3, 0.00312819/step Wall: 16075.3, 0.00312818/step, 0.00695152 hours remaining, 236.621094 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: 4992000 3992.3098 20404.2842 14501.3954 242.6414 -203461.3545 2595.0600 0.0000 0.0000 52335.1348 -109390.5289 300.7707 -161725.6637 -109016.7959 300.0014 -81.5764 -46.0893 760944.9819 -3.9349 -3.8031 PRESSURE: 4992200 -339.114 -91.8283 85.9911 -91.8279 40.3176 62.1257 85.9914 62.1264 -46.0135 GPRESSURE: 4992200 -287.697 -129.214 -3.69646 89.1091 103.373 35.1478 -33.3248 226.442 -61.5172 PRESSAVG: 4992200 7.64276 18.5242 29.2932 18.5242 -60.2781 -17.4025 29.2931 -17.4025 9.30052 GPRESSAVG: 4992200 6.8242 17.5164 30.026 18.7935 -60.5656 -15.4575 28.1913 -19.1787 10.1752 TIMING: 4992200 CPU: 16075.9, 0.00315454/step Wall: 16075.9, 0.00315454/step, 0.00683483 hours remaining, 236.621094 MB of memory in use. ENERGY: 4992200 3916.0125 20433.9811 14493.9541 245.9383 -202861.8567 2224.2203 0.0000 0.0000 51977.6750 -109570.0755 298.7164 -161547.7505 -109201.5782 299.3840 -114.9366 -81.9473 761242.1533 -14.4449 -14.5221 LDB: ============= START OF LOAD BALANCING ============== 16088.3 LDB: ============== END OF LOAD BALANCING =============== 16088.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16088.4 LDB: ============= START OF LOAD BALANCING ============== 16088.7 LDB: Largest compute 7074 load 0.034991 is 17.9% of average load 0.195511 LDB: Average compute 0.004385 is 2.2% of average load 0.195511 LDB: TIME 16088.7 LOAD: AVG 0.195511 MAX 0.218688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.941 MB LDB: TIME 16088.7 LOAD: AVG 0.195511 MAX 0.218688 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 16088.7 LOAD: AVG 0.195511 MAX 0.218095 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 16088.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16088.7 PRESSURE: 4992400 635.071 -129.899 -198.52 -129.899 3.22759 -60.4161 -198.519 -60.4158 710.466 GPRESSURE: 4992400 582.121 -34.3675 -160.8 -165.796 73.6829 18.6392 -332.933 -70.8367 790.453 PRESSAVG: 4992400 3.6214 -36.2539 38.0785 -36.2538 -50.8998 12.0529 38.0785 12.0528 -10.0728 GPRESSAVG: 4992400 3.78714 -34.3497 37.1651 -34.7496 -50.431 12.4407 35.9728 13.0772 -10.7368 TIMING: 4992400 CPU: 16076.6, 0.0032186/step Wall: 16076.6, 0.0032186/step, 0.00679482 hours remaining, 235.906250 MB of memory in use. ENERGY: 4992400 3845.9515 20201.5341 14522.7833 253.6047 -203366.8301 2916.5145 0.0000 0.0000 52265.0718 -109361.3701 300.3681 -161626.4420 -108992.3886 299.5815 449.5883 482.0857 758872.3412 -19.1171 -19.1269 PRESSURE: 4992600 313.918 -246.134 259.936 -246.133 7.25246 -8.16216 259.936 -8.16156 -204.553 GPRESSURE: 4992600 321.938 -240.669 207.205 -310.179 117.155 56.203 241.092 103.979 -233.039 PRESSAVG: 4992600 28.3044 -5.2301 -19.1523 -5.23013 -59.3355 -11.6481 -19.1523 -11.6481 35.7741 GPRESSAVG: 4992600 28.1741 -5.25951 -20.245 -6.86161 -58.9568 -11.8165 -18.2396 -14.0212 35.4922 TIMING: 4992600 CPU: 16077.2, 0.00313266/step Wall: 16077.2, 0.00313266/step, 0.00643935 hours remaining, 236.234375 MB of memory in use. ENERGY: 4992600 3964.4708 20484.5997 14481.7774 238.6402 -203357.3175 2403.7012 0.0000 0.0000 52239.3203 -109544.8079 300.2201 -161784.1282 -109186.7710 299.8839 38.8724 68.6845 759355.9152 1.5810 1.5698 PRESSURE: 4992800 259.517 -162.992 -210.788 -162.992 -77.0925 -14.853 -210.789 -14.8535 98.2306 GPRESSURE: 4992800 242.84 -120.212 -118.999 -228.045 -11.6656 -122.798 -150.119 197.468 116.162 PRESSAVG: 4992800 50.6666 -35.0952 41.0197 -35.0952 -43.6363 4.90885 41.0197 4.90887 9.84562 GPRESSAVG: 4992800 50.7203 -37.9247 42.2629 -35.4486 -44.0255 3.9538 39.9784 6.42636 9.78508 TIMING: 4992800 CPU: 16077.8, 0.00311877/step Wall: 16077.8, 0.00311877/step, 0.00623754 hours remaining, 236.304688 MB of memory in use. ENERGY: 4992800 3963.0719 20507.0560 14444.3568 246.6201 -203226.7022 2532.1493 0.0000 0.0000 51867.3115 -109666.1366 298.0822 -161533.4481 -109306.9478 299.6833 93.5516 115.7787 760359.2744 5.6253 5.4933 PRESSURE: 4993000 -31.266 190.694 169.278 190.694 -52.2065 109.188 169.278 109.188 -131.821 GPRESSURE: 4993000 -1.77166 251.189 98.1355 214.37 29.2291 46.7286 175.016 89.1601 -145.124 PRESSAVG: 4993000 -24.3181 -57.9481 111.853 -57.9481 12.4714 -3.04485 111.853 -3.04489 7.43739 GPRESSAVG: 4993000 -24.9512 -58.1999 111.253 -56.785 13.9764 -2.63366 111.404 -4.15416 6.62631 TIMING: 4993000 CPU: 16078.5, 0.00314991/step Wall: 16078.5, 0.00314991/step, 0.00612482 hours remaining, 236.304688 MB of memory in use. ENERGY: 4993000 3960.9762 20347.4887 14465.2216 246.2416 -203372.2999 2379.3381 0.0000 0.0000 52364.9754 -109608.0583 300.9422 -161973.0337 -109241.0486 299.7892 -71.7646 -39.2222 760371.5830 -1.4698 -1.4495 PRESSURE: 4993200 -292.114 -198.129 52.6853 -198.13 -62.1828 18.4959 52.6861 18.4962 -279.266 GPRESSURE: 4993200 -213.877 -90.7488 -3.73833 -172.022 -135.071 82.3814 -56.1033 126.101 -190.947 PRESSAVG: 4993200 -14.312 -35.0352 39.5496 -35.0352 19.8689 -12.2272 39.5495 -12.2272 2.45463 GPRESSAVG: 4993200 -12.8954 -33.5221 39.557 -34.3075 17.6974 -12.2142 42.9533 -12.6023 3.00606 TIMING: 4993200 CPU: 16079.1, 0.00312195/step Wall: 16079.1, 0.00312195/step, 0.00589702 hours remaining, 236.304688 MB of memory in use. ENERGY: 4993200 3968.2117 20312.5507 14421.5625 248.5804 -203215.3884 2243.5222 0.0000 0.0000 52388.3071 -109632.6537 301.0763 -162020.9608 -109265.1462 299.6433 -211.1875 -179.9652 759183.0133 2.6705 2.6027 PRESSURE: 4993400 -52.3211 -103.575 -56.8565 -103.575 -241.317 -29.5572 -56.857 -29.5568 -40.0133 GPRESSURE: 4993400 49.2241 -108.559 -28.0143 -48.9968 -271.782 5.18662 -258.015 -11.3999 -3.24109 PRESSAVG: 4993400 47.0162 10.4195 38.9875 10.4195 -10.0798 0.26557 38.9875 0.265597 16.6379 GPRESSAVG: 4993400 47.4882 13.7696 39.4441 7.92633 -9.91381 1.07141 36.4641 0.778682 15.9282 TIMING: 4993400 CPU: 16079.7, 0.0031298/step Wall: 16079.7, 0.0031298/step, 0.00573797 hours remaining, 236.304688 MB of memory in use. ENERGY: 4993400 4006.6264 20410.8729 14578.2984 252.6414 -203171.8240 2321.6415 0.0000 0.0000 52070.2385 -109531.5049 299.2484 -161601.7434 -109175.2104 299.5717 -111.2173 -75.2665 760813.4199 17.8581 17.8342 PRESSURE: 4993600 -304.285 128.459 -36.9478 128.459 290.952 154.062 -36.9475 154.062 106.956 GPRESSURE: 4993600 -225.882 269.99 -60.1142 41.6343 278.125 161.947 -34.865 174.001 117.316 PRESSAVG: 4993600 -28.0406 -16.5699 13.8725 -16.5699 -7.69891 35.0751 13.8726 35.0751 -0.987122 GPRESSAVG: 4993600 -28.0588 -18.6546 14.4769 -15.7206 -8.86941 34.0828 12.081 35.0753 0.40008 TIMING: 4993600 CPU: 16080.3, 0.0031225/step Wall: 16080.3, 0.0031225/step, 0.00555112 hours remaining, 236.304688 MB of memory in use. ENERGY: 4993600 4044.9907 20547.9876 14558.5545 257.6745 -203934.2428 2891.8852 0.0000 0.0000 52093.3846 -109539.7658 299.3814 -161633.1503 -109192.2006 299.3992 31.2075 56.5199 758097.2646 -12.2422 -12.1760 PRESSURE: 4993800 -325.848 78.5745 45.0049 78.5741 -244.336 -128.075 45.0056 -128.076 84.6054 GPRESSURE: 4993800 -243.027 182.423 21.5663 28.2775 -131.063 -93.2277 124.787 8.66603 -36.9139 PRESSAVG: 4993800 -70.6354 -49.6737 -34.0386 -49.6738 81.0194 15.9635 -34.0386 15.9635 3.92299 GPRESSAVG: 4993800 -69.6401 -51.1162 -33.8012 -49.3637 81.2194 15.2205 -32.5458 16.0477 2.62814 TIMING: 4993800 CPU: 16081, 0.00313706/step Wall: 16081, 0.00313706/step, 0.00540271 hours remaining, 236.304688 MB of memory in use. ENERGY: 4993800 3996.7588 20562.9658 14539.1306 238.6078 -203623.5334 2629.4743 0.0000 0.0000 52194.4503 -109462.1458 299.9622 -161656.5961 -109098.0850 299.4500 -161.8594 -137.0011 761277.5993 4.7690 4.7358 PRESSURE: 4994000 10.2095 -106.953 183.967 -106.953 156.363 -141.569 183.967 -141.568 -326.07 GPRESSURE: 4994000 -39.4013 -59.3509 203.561 -109.45 176.756 -102.193 158.381 -257.122 -207.097 PRESSAVG: 4994000 -3.09481 -26.8072 -2.23794 -26.8071 46.9985 -20.4005 -2.238 -20.4005 -12.171 GPRESSAVG: 4994000 -4.59362 -24.4273 -3.51734 -27.3015 47.9308 -16.5265 0.10468 -21.1522 -11.3711 TIMING: 4994000 CPU: 16081.6, 0.00313543/step Wall: 16081.6, 0.00313543/step, 0.00522572 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 4006.3153 20526.2542 14520.0506 253.5481 -203573.5795 2566.2201 0.0000 0.0000 52199.4527 -109501.7385 299.9910 -161701.1911 -109136.6386 299.4531 -53.1658 -23.2474 762182.7124 10.5776 10.6554 PRESSURE: 4994200 73.8845 176.018 60.1063 176.017 331.658 87.917 60.1063 87.9177 -269.352 GPRESSURE: 4994200 180.782 25.8323 46.2242 159.707 366.689 114.558 10.6363 20.0733 -322.59 PRESSAVG: 4994200 -20.2432 -4.05647 43.2716 -4.05648 14.5743 5.623 43.2716 5.62302 -12.9618 GPRESSAVG: 4994200 -19.927 -5.42724 44.1524 -3.27054 13.5724 2.74001 38.8519 7.42995 -12.3472 TIMING: 4994200 CPU: 16082.2, 0.00311382/step Wall: 16082.2, 0.00311382/step, 0.00501671 hours remaining, 236.304688 MB of memory in use. ENERGY: 4994200 3953.4274 20483.0544 14548.0479 236.4804 -203563.3544 2707.4812 0.0000 0.0000 52250.9349 -109383.9282 300.2868 -161634.8630 -109019.4000 299.4895 45.3970 74.9603 760152.4415 -6.2102 -6.2339 PRESSURE: 4994400 -373.33 -172.516 -81.3973 -172.516 -212.377 -304.13 -81.3974 -304.13 -399.539 GPRESSURE: 4994400 -349.379 -135.104 -201.526 -148.356 -158.221 -263.021 -144.715 -258.481 -403.097 PRESSAVG: 4994400 42.6748 -59.6225 36.808 -59.6226 21.8277 9.49038 36.8081 9.49037 -11.1892 GPRESSAVG: 4994400 42.6615 -59.3666 36.322 -58.9023 22.1517 8.45084 37.599 7.99956 -11.9048 TIMING: 4994400 CPU: 16082.8, 0.00313134/step Wall: 16082.8, 0.00313134/step, 0.00487097 hours remaining, 236.503906 MB of memory in use. ENERGY: 4994400 4022.8095 20531.1016 14459.6237 255.5887 -202877.0132 2121.1490 0.0000 0.0000 52196.0195 -109290.7212 299.9712 -161486.7408 -108924.3188 299.8962 -328.4152 -303.5655 761848.3388 17.7711 17.6361 PRESSURE: 4994600 -75.5401 168.104 68.7459 168.103 -303.929 -560.395 68.7464 -560.395 -255.733 GPRESSURE: 4994600 -48.2123 61.1344 176.954 150.21 -231.978 -520.791 167.184 -479.85 -278.141 PRESSAVG: 4994600 -21.3782 -5.3435 -29.6957 -5.34348 -29.7312 -36.5415 -29.6957 -36.5415 -8.835 GPRESSAVG: 4994600 -23.0529 -5.25979 -29.3532 -6.31731 -28.3814 -35.8846 -27.9714 -35.8707 -8.46616 TIMING: 4994600 CPU: 16083.5, 0.00313522/step Wall: 16083.5, 0.00313522/step, 0.00470283 hours remaining, 236.503906 MB of memory in use. ENERGY: 4994600 3998.2096 20506.7657 14541.5237 238.6649 -203116.3050 2456.6827 0.0000 0.0000 52061.4820 -109312.9765 299.1981 -161374.4585 -108946.5794 299.7092 -211.7341 -186.1102 762386.8974 -19.9815 -19.9668 PRESSURE: 4994800 -159.373 -20.1763 145.07 -20.1765 -168.305 209.415 145.07 209.415 -136.131 GPRESSURE: 4994800 -94.0879 -46.9698 118.831 -55.123 -120.804 144.755 17.1674 262.047 -162.105 PRESSAVG: 4994800 47.3314 15.1366 1.69415 15.1367 -13.479 -12.5067 1.69417 -12.5067 2.79257 GPRESSAVG: 4994800 48.383 16.2589 0.0223873 15.6609 -13.7908 -11.4467 1.83883 -10.2192 1.86238 TIMING: 4994800 CPU: 16084.1, 0.00312209/step Wall: 16084.1, 0.00312209/step, 0.00450969 hours remaining, 236.503906 MB of memory in use. ENERGY: 4994800 4037.7043 20639.4780 14527.8761 265.9325 -203304.2469 2405.0508 0.0000 0.0000 52125.8627 -109302.3426 299.5680 -161428.2053 -108948.0052 299.5418 -154.6029 -125.6655 761699.2020 12.2150 12.1515 PRESSURE: 4995000 -145.005 -17.2486 8.79166 -17.2488 -9.60956 -162.364 8.79249 -162.363 222.65 GPRESSURE: 4995000 -98.1343 -168.878 6.09077 6.60585 23.2215 -50.462 -9.0889 -91.0456 238.952 PRESSAVG: 4995000 21.2392 -10.305 -35.1102 -10.305 -31.7328 18.1672 -35.1102 18.1673 -4.79798 GPRESSAVG: 4995000 22.3492 -11.0444 -33.197 -11.6205 -33.9496 17.3388 -36.5619 15.6424 -3.57901 TIMING: 4995000 CPU: 16084.7, 0.00313841/step Wall: 16084.7, 0.00313841/step, 0.00435891 hours remaining, 236.503906 MB of memory in use. ENERGY: 4995000 3938.9472 20468.2685 14474.4080 228.7427 -203190.1664 2580.5407 0.0000 0.0000 52266.0554 -109233.2039 300.3737 -161499.2593 -108866.9262 300.0306 22.6785 54.6796 761487.6457 -5.0972 -5.0598 PRESSURE: 4995200 -413.583 53.2038 -118.426 53.2034 237.856 -117.934 -118.426 -117.934 -29.2943 GPRESSURE: 4995200 -372.589 47.9393 -88.8579 -37.659 316.789 -96.1934 -86.9287 -177.818 -64.1401 PRESSAVG: 4995200 -15.5321 -50.6756 32.191 -50.6757 -2.32993 -24.6884 32.191 -24.6884 -36.9322 GPRESSAVG: 4995200 -16.5511 -51.4685 31.5719 -49.6947 -0.875796 -23.6868 33.4528 -25.4294 -37.3983 TIMING: 4995200 CPU: 16085.3, 0.00312302/step Wall: 16085.3, 0.00312302/step, 0.00416403 hours remaining, 236.503906 MB of memory in use. ENERGY: 4995200 3954.0959 20528.3035 14513.0495 262.7758 -202975.5380 2381.3815 0.0000 0.0000 52125.2460 -109210.6859 299.5645 -161335.9319 -108841.4872 299.9678 -68.3404 -39.9800 763545.0581 -18.2648 -18.2751 PRESSURE: 4995400 -92.8559 51.0865 -98.9687 51.0863 -212.991 47.9648 -98.9689 47.9654 268.152 GPRESSURE: 4995400 -135.966 22.1962 -18.7133 101.991 -77.1396 114.227 -126.689 61.5528 261.847 PRESSAVG: 4995400 -16.3435 -53.2345 67.3827 -53.2345 -37.9166 40.6688 67.3826 40.6689 -13.9022 GPRESSAVG: 4995400 -17.4858 -53.4283 67.6951 -53.7481 -36.1242 41.3614 67.3508 41.518 -14.7009 TIMING: 4995400 CPU: 16086, 0.00312893/step Wall: 16086, 0.00312893/step, 0.00399808 hours remaining, 236.503906 MB of memory in use. ENERGY: 4995400 3969.7312 20529.6124 14452.5666 260.3085 -203303.6845 2512.2340 0.0000 0.0000 52379.9044 -109199.3274 301.0280 -161579.2318 -108837.8562 299.8137 -12.5651 16.2471 762762.4999 -22.7208 -22.7703 PRESSURE: 4995600 432.365 -151.992 -142.278 -151.992 139.677 28.7234 -142.278 28.7234 282.261 GPRESSURE: 4995600 431.916 -34.8983 -117.652 -113.223 207.752 51.4027 -147.795 7.46307 301.598 PRESSAVG: 4995600 20.8301 -40.9541 22.6978 -40.954 20.674 20.1928 22.6978 20.1927 14.251 GPRESSAVG: 4995600 21.1134 -41.3271 22.8904 -39.3722 20.1081 17.7498 21.1669 20.0165 14.7572 TIMING: 4995600 CPU: 16086.6, 0.00313189/step Wall: 16086.6, 0.00313189/step, 0.00382786 hours remaining, 236.503906 MB of memory in use. ENERGY: 4995600 3914.3039 20637.3120 14484.2548 230.8998 -203227.5712 2709.0223 0.0000 0.0000 52073.3563 -109178.4221 299.2663 -161251.7784 -108816.1446 300.4146 284.7676 313.7552 760602.9030 18.5850 18.6595 PRESSURE: 4995800 -170.882 -225.177 -223.507 -225.177 -22.721 112.213 -223.508 112.214 211.462 GPRESSURE: 4995800 -84.3558 -260.342 -235.118 -54.2868 11.5971 -51.8409 -229.398 100.617 185.766 PRESSAVG: 4995800 60.1636 -13.2805 -70.598 -13.2805 -17.219 -26.4587 -70.598 -26.4588 -9.09323 GPRESSAVG: 4995800 61.1196 -12.5571 -71.0255 -14.1726 -18.1727 -26.2124 -69.7097 -24.108 -9.18312 TIMING: 4995800 CPU: 16087.2, 0.0031355/step Wall: 16087.2, 0.0031355/step, 0.00365808 hours remaining, 236.503906 MB of memory in use. ENERGY: 4995800 4029.0505 20532.1799 14414.9960 233.2361 -203256.0049 2653.6112 0.0000 0.0000 52093.4482 -109299.4830 299.3818 -161392.9312 -108935.8484 299.7397 5.9532 37.6692 763401.8207 11.2838 11.2546 PRESSURE: 4996000 75.2922 -122.417 -153.957 -122.417 57.0988 77.3804 -153.957 77.3796 465.592 GPRESSURE: 4996000 111.407 -114.588 -176.716 -69.6413 169.47 104.716 -95.3343 -19.897 404.203 PRESSAVG: 4996000 25.9771 -84.6956 -34.6833 -84.6956 -2.04641 -9.90283 -34.6834 -9.90285 16.6777 GPRESSAVG: 4996000 24.8129 -84.2458 -36.8307 -84.1664 -0.623935 -9.28945 -33.5971 -12.5832 16.2441 TIMING: 4996000 CPU: 16087.8, 0.00314422/step Wall: 16087.8, 0.00314422/step, 0.00349358 hours remaining, 236.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 3964.0527 20522.9256 14489.7496 251.7485 -203335.2420 2626.0391 0.0000 0.0000 51849.9311 -109630.7955 297.9823 -161480.7265 -109258.9988 299.4227 199.3278 228.3602 761907.3452 13.5362 13.4777 PRESSURE: 4996200 -236.403 -156.014 -219.183 -156.012 -104.781 108.604 -219.184 108.604 157.222 GPRESSURE: 4996200 -203.24 -56.6933 -198.505 -176.38 -33.4345 117.545 -210.662 167.14 147.638 PRESSAVG: 4996200 -15.9857 -81.138 30.8873 -81.138 -2.98186 -20.2237 30.8873 -20.2236 8.15736 GPRESSAVG: 4996200 -17.2317 -81.6453 32.4065 -82.0815 -2.39566 -21.0149 29.5305 -19.4725 8.77592 TIMING: 4996200 CPU: 16088.5, 0.00312013/step Wall: 16088.5, 0.00312013/step, 0.00329347 hours remaining, 236.503906 MB of memory in use. ENERGY: 4996200 4014.4844 20649.9415 14501.7791 237.1292 -203451.9632 2530.2567 0.0000 0.0000 52016.8756 -109501.4967 298.9417 -161518.3724 -109146.4954 298.9004 -61.3205 -29.6788 760814.2266 -3.6034 -3.6172 LDB: ============= START OF LOAD BALANCING ============== 16100.9 LDB: ============== END OF LOAD BALANCING =============== 16100.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16100.9 LDB: ============= START OF LOAD BALANCING ============== 16101.2 LDB: Largest compute 7049 load 0.033938 is 17.4% of average load 0.195603 LDB: Average compute 0.004409 is 2.3% of average load 0.195603 LDB: TIME 16101.2 LOAD: AVG 0.195603 MAX 0.217238 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.102 MB LDB: TIME 16101.2 LOAD: AVG 0.195603 MAX 0.217238 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 16101.2 LOAD: AVG 0.195603 MAX 0.217238 PROXIES: TOTAL 1227 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 16101.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16101.2 PRESSURE: 4996400 -102.932 -245.894 -59.5674 -245.894 -87.5516 92.8724 -59.5666 92.8715 -79.1517 GPRESSURE: 4996400 -76.9095 -233.187 -33.1811 -204.088 -116.489 121.104 -82.6503 -49.3104 8.86059 PRESSAVG: 4996400 -41.3385 -15.6105 12.3274 -15.6106 -7.84391 -48.0458 12.3274 -48.0458 12.0808 GPRESSAVG: 4996400 -40.3073 -16.2455 11.6359 -13.9891 -8.63174 -46.3865 11.7209 -48.1415 12.287 TIMING: 4996400 CPU: 16089.1, 0.00320478/step Wall: 16089.1, 0.00320478/step, 0.00320478 hours remaining, 235.652344 MB of memory in use. ENERGY: 4996400 3987.9880 20479.3413 14520.0812 239.9084 -203234.0866 2551.8411 0.0000 0.0000 52100.5876 -109354.3390 299.4228 -161454.9266 -108982.9702 299.3723 -89.8786 -61.5125 762789.2534 -12.3672 -12.2173 PRESSURE: 4996600 -176.241 -132.301 -248.199 -132.301 -149.187 -99.1005 -248.199 -99.1006 -176.641 GPRESSURE: 4996600 -113.462 -109.997 -303.328 -136.389 -194.148 -172.348 -68.344 -86.4388 -115.946 PRESSAVG: 4996600 -26.0123 -57.4141 -7.77382 -57.4141 -8.98057 -23.0789 -7.77387 -23.0789 43.3391 GPRESSAVG: 4996600 -25.0213 -54.8798 -7.76362 -58.0112 -10.4639 -24.1456 -7.15527 -23.8267 43.8688 TIMING: 4996600 CPU: 16089.7, 0.00313403/step Wall: 16089.7, 0.00313403/step, 0.00295991 hours remaining, 235.855469 MB of memory in use. ENERGY: 4996600 4039.4830 20544.2858 14441.8260 253.7424 -203293.1340 2387.7671 0.0000 0.0000 52034.0813 -109591.9484 299.0406 -161626.0297 -109234.7628 299.7014 -167.3565 -141.1852 760580.9126 2.7821 2.7946 PRESSURE: 4996800 -74.2256 54.4276 -85.172 54.4275 -198.882 94.35 -85.1722 94.3496 371.425 GPRESSURE: 4996800 -87.364 26.5189 -123.844 117.108 -115.345 -1.49269 -145.998 285.572 421.024 PRESSAVG: 4996800 1.74298 -22.9448 -23.0514 -22.9448 -7.53667 -37.4904 -23.0514 -37.4905 -14.0504 GPRESSAVG: 4996800 1.40925 -23.2912 -22.6548 -22.3576 -7.05567 -38.317 -21.6865 -33.784 -14.3455 TIMING: 4996800 CPU: 16090.4, 0.00313215/step Wall: 16090.4, 0.00313215/step, 0.00278413 hours remaining, 235.855469 MB of memory in use. ENERGY: 4996800 3991.7267 20607.5722 14498.3269 249.6639 -203828.4048 2773.3603 0.0000 0.0000 52158.9581 -109548.7967 299.7582 -161707.7549 -109197.4215 299.1544 32.7724 72.7719 761228.5729 -6.6147 -6.6640 PRESSURE: 4997000 95.3091 -70.2254 26.9041 -70.2247 -232.277 168.447 26.9041 168.447 176.008 GPRESSURE: 4997000 90.4641 -57.6646 60.4147 -32.871 -102.674 167.107 -61.5282 146.114 129.456 PRESSAVG: 4997000 -33.2033 -70.3005 17.0432 -70.3005 26.1951 -4.67644 17.0432 -4.67644 27.0442 GPRESSAVG: 4997000 -33.5258 -70.872 17.9586 -71.4351 25.8209 -3.39707 13.8373 -7.80706 27.5117 TIMING: 4997000 CPU: 16091, 0.00311655/step Wall: 16091, 0.00311655/step, 0.00259713 hours remaining, 235.855469 MB of memory in use. ENERGY: 4997000 3978.2627 20400.0457 14469.5018 240.7636 -203828.4687 2844.8611 0.0000 0.0000 52186.4426 -109708.5913 299.9162 -161895.0339 -109342.1427 299.4950 13.0132 39.0819 760508.0151 6.6786 6.6023 PRESSURE: 4997200 -249.524 -149.787 237.097 -149.787 171.151 31.0433 237.097 31.0438 -192.271 GPRESSURE: 4997200 -137.246 -154.646 214.336 -28.7927 148.902 82.5509 202.787 -47.7443 -201.646 PRESSAVG: 4997200 -42.1356 -22.5616 -22.0803 -22.5616 45.2847 -14.8126 -22.0803 -14.8126 -23.6659 GPRESSAVG: 4997200 -40.8947 -22.0785 -23.0427 -22.2992 45.7074 -14.6283 -19.74 -15.1993 -25.1666 TIMING: 4997200 CPU: 16091.6, 0.00312346/step Wall: 16091.6, 0.00312346/step, 0.00242936 hours remaining, 235.855469 MB of memory in use. ENERGY: 4997200 4028.7092 20422.9576 14352.0029 228.0795 -203332.2263 2517.4561 0.0000 0.0000 52025.4993 -109757.5217 298.9913 -161783.0210 -109391.4608 299.0920 -90.2147 -63.3299 760972.7550 -6.8390 -6.7846 PRESSURE: 4997400 145.87 193.648 -252.34 193.648 294.096 201.418 -252.338 201.417 340.677 GPRESSURE: 4997400 134.15 185.935 -263.856 114.846 368.233 269.783 -232.39 288.233 356.359 PRESSAVG: 4997400 -37.0776 -61.1919 -72.8018 -61.1919 53.552 -5.92136 -72.8018 -5.92131 -9.10403 GPRESSAVG: 4997400 -37.5332 -62.3762 -73.1959 -59.7356 53.0363 -6.67112 -73.4177 -5.47474 -8.73135 TIMING: 4997400 CPU: 16092.2, 0.00315001/step Wall: 16092.2, 0.00315001/step, 0.00227501 hours remaining, 235.855469 MB of memory in use. ENERGY: 4997400 3913.7905 20549.3354 14479.3693 258.4099 -203732.7021 2872.4887 0.0000 0.0000 51706.0806 -109953.2277 297.1556 -161659.3083 -109595.8055 298.9757 260.2144 286.2474 759821.2219 2.4568 2.2572 PRESSURE: 4997600 127.39 252.206 -36.4055 252.206 204.351 -182.714 -36.4062 -182.714 327.131 GPRESSURE: 4997600 128.311 197.608 -1.65292 196.953 233.041 -204.537 11.7443 -75.1877 370.873 PRESSAVG: 4997600 -14.0632 16.1062 -17.5803 16.1061 21.5047 -2.74653 -17.5803 -2.74651 -16.0158 GPRESSAVG: 4997600 -15.5175 15.3607 -15.5534 14.9289 22.9398 -1.29877 -16.9197 -2.66249 -15.8086 TIMING: 4997600 CPU: 16092.9, 0.00313665/step Wall: 16092.9, 0.00313665/step, 0.0020911 hours remaining, 235.855469 MB of memory in use. ENERGY: 4997600 3936.3630 20355.2614 14474.4268 260.2492 -203155.1427 2368.9148 0.0000 0.0000 51944.5926 -109815.3350 298.5263 -161759.9276 -109445.4144 298.6664 219.6241 244.0750 760621.2101 -2.8581 -2.7954 PRESSURE: 4997800 -435.071 -26.0761 86.5531 -26.0761 -285.453 -147.763 86.5525 -147.763 91.3421 GPRESSURE: 4997800 -380.051 18.0946 68.7354 12.4222 -291.553 -211.769 129.759 26.4896 134.036 PRESSAVG: 4997800 -10.1747 10.7159 -0.877861 10.7159 7.91778 56.4228 -0.877848 56.4228 17.4635 GPRESSAVG: 4997800 -9.51552 10.581 -2.35916 10.7323 7.59036 53.5281 0.693991 55.6719 17.2682 TIMING: 4997800 CPU: 16093.5, 0.003153/step Wall: 16093.5, 0.003153/step, 0.00192683 hours remaining, 235.855469 MB of memory in use. ENERGY: 4997800 3836.3155 20276.9267 14477.6637 276.6006 -202765.9522 1905.2857 0.0000 0.0000 51951.9633 -110041.1966 298.5686 -161993.1599 -109666.8060 298.2496 -209.7275 -179.1897 761116.2659 5.0689 5.1143 PRESSURE: 4998000 -202.881 60.7331 -119.163 60.7323 26.2271 328.674 -119.164 328.674 -131.339 GPRESSURE: 4998000 -179.405 196.21 -83.2974 79.5253 23.0171 284.902 -91.7832 162.206 -75.5861 PRESSAVG: 4998000 23.563 -7.34479 -10.6589 -7.34482 -22.8496 14.0116 -10.6589 14.0115 3.88113 GPRESSAVG: 4998000 23.9323 -4.96966 -11.788 -8.6647 -22.2227 14.7259 -12.0675 13.8423 3.13028 TIMING: 4998000 CPU: 16094.1, 0.00313711/step Wall: 16094.1, 0.00313711/step, 0.00174284 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4998000 3948.5189 20381.9816 14457.2699 248.4673 -203842.9123 2712.7885 0.0000 0.0000 52123.2114 -109970.6747 299.5528 -162093.8861 -109608.1698 298.0366 -102.6642 -77.3246 760755.7871 1.5315 1.6133 PRESSURE: 4998200 -196.104 -152.611 -80.6728 -152.61 171.813 135.787 -80.6725 135.785 -126.656 GPRESSURE: 4998200 -143.59 -124.221 -102.024 -180.206 195.059 174.374 -123.205 240.484 -102.26 PRESSAVG: 4998200 -13.8074 -46.0027 -12.0106 -46.0027 52.0362 -0.473417 -12.0105 -0.473433 2.19014 GPRESSAVG: 4998200 -15.5475 -48.2553 -11.1637 -46.358 51.8424 1.24017 -12.9517 0.0959543 3.77828 TIMING: 4998200 CPU: 16094.7, 0.00311583/step Wall: 16094.7, 0.00311583/step, 0.00155792 hours remaining, 235.855469 MB of memory in use. ENERGY: 4998200 4042.0567 20581.1595 14407.3604 255.6060 -203261.3107 2569.3466 0.0000 0.0000 51711.9037 -109693.8777 297.1890 -161405.7815 -109343.2517 298.5250 -50.3158 -16.9304 760332.8977 13.4730 13.3577 PRESSURE: 4998400 -108.539 101.564 -62.9042 101.564 2.4576 14.8735 -62.9038 14.8736 245.111 GPRESSURE: 4998400 19.9281 71.8727 -59.2417 159.368 -25.5908 91.1909 -109.249 -60.0535 233.498 PRESSAVG: 4998400 29.7539 21.4845 -11.3881 21.4846 -40.313 18.0181 -11.3881 18.0181 2.87742 GPRESSAVG: 4998400 31.2196 22.6535 -11.4195 21.0092 -40.6791 18.0735 -8.98004 17.5925 1.52154 TIMING: 4998400 CPU: 16095.4, 0.00312818/step Wall: 16095.4, 0.00312818/step, 0.0013903 hours remaining, 235.855469 MB of memory in use. ENERGY: 4998400 4054.2265 20367.8338 14426.3608 225.7214 -203410.3750 2580.0182 0.0000 0.0000 52019.3277 -109736.8866 298.9558 -161756.2143 -109363.5955 299.0893 46.3431 75.9453 760660.8801 -2.5606 -2.6460 PRESSURE: 4998600 -426.007 30.4358 -133.341 30.4362 -68.7079 -41.3451 -133.341 -41.3448 -100.253 GPRESSURE: 4998600 -300.12 -94.9415 -111.687 52.5513 -95.3585 -19.0064 -247.274 -100.357 -101.916 PRESSAVG: 4998600 38.1438 -19.0369 -7.50217 -19.0369 1.79938 -4.69598 -7.50212 -4.696 -0.954628 GPRESSAVG: 4998600 37.2635 -20.0305 -6.8919 -19.0299 2.36232 -6.1955 -9.63346 -5.75466 -0.841136 TIMING: 4998600 CPU: 16096, 0.00313524/step Wall: 16096, 0.00313524/step, 0.00121926 hours remaining, 235.855469 MB of memory in use. ENERGY: 4998600 4074.4077 20357.5177 14515.3736 239.1639 -203126.9304 2305.0083 0.0000 0.0000 52157.5985 -109477.8606 299.7504 -161635.4592 -109115.2736 299.3961 -198.3227 -165.7981 761409.7323 12.9962 12.9282 PRESSURE: 4998800 -44.684 -87.0881 -68.5397 -87.0874 -140.693 98.171 -68.5405 98.171 0.727719 GPRESSURE: 4998800 -38.816 -115.876 -36.7795 -173.826 -37.2946 43.193 -81.5913 114.534 -3.4365 PRESSAVG: 4998800 -20.5761 -37.0067 3.79594 -37.0066 25.0649 -19.3734 3.7959 -19.3733 0.951648 GPRESSAVG: 4998800 -20.0466 -37.0823 2.83968 -36.9772 24.2277 -19.277 4.0353 -18.0888 1.40247 TIMING: 4998800 CPU: 16096.6, 0.00313133/step Wall: 16096.6, 0.00313133/step, 0.00104378 hours remaining, 235.855469 MB of memory in use. ENERGY: 4998800 3954.8374 20491.1386 14460.2074 258.1826 -203363.9905 2515.2083 0.0000 0.0000 52198.6347 -109485.7816 299.9863 -161684.4163 -109129.3322 299.5322 -61.5499 -26.5157 762195.4125 1.8135 1.8612 PRESSURE: 4999000 61.911 -30.7158 5.47139 -30.7156 171.546 -4.95347 5.47081 -4.95355 163.893 GPRESSURE: 4999000 118.938 -148.008 10.106 152.038 98.4967 61.8401 74.8872 -71.9757 252.981 PRESSAVG: 4999000 -37.897 -44.1952 45.8986 -44.1951 26.1664 -16.5012 45.8986 -16.5013 5.91845 GPRESSAVG: 4999000 -37.5991 -46.23 47.1436 -43.007 26.1288 -17.2517 45.6007 -17.2379 5.36914 TIMING: 4999000 CPU: 16097.3, 0.00314797/step Wall: 16097.3, 0.00314797/step, 0.000874437 hours remaining, 235.855469 MB of memory in use. ENERGY: 4999000 3920.9318 20505.9773 14549.7629 263.7776 -203399.8187 2786.4793 0.0000 0.0000 51878.5071 -109494.3827 298.1465 -161372.8897 -109135.9261 299.2903 132.4500 156.8055 761918.4621 -1.9374 -2.0337 PRESSURE: 4999200 76.2324 -257.294 -249.967 -257.296 -139.84 94.7437 -249.966 94.7443 225.741 GPRESSURE: 4999200 155.292 -244.841 -317.418 -251.63 -88.9123 23.6415 -30.4649 -8.9934 184.647 PRESSAVG: 4999200 -48.2459 -47.5389 -9.04049 -47.539 77.5238 -4.23555 -9.04051 -4.23567 30.1768 GPRESSAVG: 4999200 -48.546 -45.5028 -8.13049 -48.0853 78.0186 -3.64762 -7.80343 -3.70686 30.4108 TIMING: 4999200 CPU: 16097.9, 0.00314484/step Wall: 16097.9, 0.00314484/step, 0.000698854 hours remaining, 235.855469 MB of memory in use. ENERGY: 4999200 4039.9639 20289.5921 14488.8960 259.4195 -203155.7969 2437.2458 0.0000 0.0000 52120.6798 -109519.9998 299.5383 -161640.6796 -109165.6887 299.6553 54.0443 83.6757 761868.8624 19.8182 19.9612 PRESSURE: 4999400 141.912 -101.388 194.53 -101.387 -161.88 207.285 194.53 207.284 -203.225 GPRESSURE: 4999400 47.2556 -53.1988 243.293 -41.7844 -67.6277 127.55 137.295 290.535 -117.035 PRESSAVG: 4999400 12.2015 -55.2626 12.4094 -55.2626 -6.17674 -12.2896 12.4094 -12.2897 8.34472 GPRESSAVG: 4999400 12.902 -55.831 11.5121 -55.4526 -6.78639 -12.9557 11.1095 -10.925 8.39621 TIMING: 4999400 CPU: 16098.5, 0.00312957/step Wall: 16098.5, 0.00312957/step, 0.000521594 hours remaining, 235.855469 MB of memory in use. ENERGY: 4999400 4034.3035 20508.9263 14401.3464 258.6143 -203472.9983 2792.2963 0.0000 0.0000 51880.1076 -109597.4040 298.1557 -161477.5116 -109242.8862 298.6366 -74.3978 -45.8025 761321.1713 4.7898 4.8373 PRESSURE: 4999600 1.67878 -38.6723 -98.1514 -38.6732 23.8582 -42.9195 -98.1503 -42.9192 -202.143 GPRESSURE: 4999600 170.239 -121.802 -22.6397 -44.8154 51.3465 -45.9712 -152.849 -120.161 -317.627 PRESSAVG: 4999600 1.74319 -35.3135 -7.8932 -35.3135 -12.0997 2.55327 -7.89315 2.55329 -0.472283 GPRESSAVG: 4999600 1.32334 -36.0743 -8.92876 -35.0274 -10.5455 4.82693 -7.01263 1.69677 -1.51681 TIMING: 4999600 CPU: 16099.1, 0.00311865/step Wall: 16099.1, 0.00311865/step, 0.000346517 hours remaining, 235.855469 MB of memory in use. ENERGY: 4999600 3977.4429 20644.3837 14425.3660 244.3236 -202823.5571 2080.7621 0.0000 0.0000 51816.7421 -109634.5367 297.7915 -161451.2788 -109269.0025 298.6491 -58.8686 -32.0138 760519.6733 -3.6096 -3.5796 PRESSURE: 4999800 -203.582 84.1979 -295.027 84.1983 -108.344 -55.4536 -295.028 -55.4531 -101.02 GPRESSURE: 4999800 -22.9163 26.275 -174.245 34.1484 -207.152 -26.7023 -271.195 -83.6614 -102.381 PRESSAVG: 4999800 68.6309 7.4459 -4.89961 7.44593 -71.5259 14.646 -4.89961 14.646 -9.75487 GPRESSAVG: 4999800 68.5322 9.17748 -3.10819 5.77109 -73.1154 14.0026 -7.57167 13.0686 -8.52837 TIMING: 4999800 CPU: 16099.8, 0.0031395/step Wall: 16099.8, 0.0031395/step, 0.000174417 hours remaining, 235.855469 MB of memory in use. ENERGY: 4999800 3941.3092 20471.9321 14410.4702 239.4216 -203008.2688 2008.1232 0.0000 0.0000 52166.6505 -109770.3621 299.8025 -161937.0126 -109399.5803 298.8866 -137.6484 -110.8164 761554.3897 -4.2166 -4.3705 PRESSURE: 5000000 -117.267 131.369 -16.7076 131.369 -142.686 -31.2963 -16.7076 -31.2961 137.473 GPRESSURE: 5000000 -54.5276 84.5755 69.3237 154.246 -79.7746 -105.749 -157.907 15.4761 98.3493 PRESSAVG: 5000000 -7.19442 2.71406 20.7741 2.71421 29.775 -30.56 20.7741 -30.56 -15.389 GPRESSAVG: 5000000 -6.43317 1.42416 21.1734 4.08626 29.4156 -31.4893 23.2865 -29.6377 -16.0025 TIMING: 5000000 CPU: 16100.4, 0.00316341/step Wall: 16100.4, 0.00316341/step, 0 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 5000000 4038.1558 20502.8456 14486.6917 257.1784 -203405.6779 2668.9438 0.0000 0.0000 51697.3077 -109754.5548 297.1051 -161451.8625 -109406.1784 298.6881 -40.8269 -11.9843 759801.1078 2.3972 2.3266 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.4.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.4.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 16113.187500 CPUTime: 16113.187500 Memory: 236.027344 MB [Partition 0][Node 0] End of program Application 48638895 network throttled: 20 nodes throttled, 00:06:48 node-seconds Application 48638895 network quiesced: 5 nodes quiesced, 00:04:30 node-seconds Application 48638895 balanced injection 100, after throttle 20 Application 48638895 resources: utime ~2534500s, stime ~36541s, Rss ~245648, inblocks ~422628, outblocks ~1178198